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(C)C[N@@H+]1CC[C@H]1CN(C)C(=O)c1cc(F)ccc1C ZINC001085746416 782150492 /nfs/dbraw/zinc/15/04/92/782150492.db2.gz GWYUMHTVMBEHGU-HNNXBMFYSA-N 0 1 290.382 2.857 20 30 CFEDMN C=C(C)CN1CC[C@H]1CN(C)C(=O)c1cc(F)ccc1C ZINC001085746416 782150500 /nfs/dbraw/zinc/15/05/00/782150500.db2.gz GWYUMHTVMBEHGU-HNNXBMFYSA-N 0 1 290.382 2.857 20 30 CFEDMN C=C(C)CN1CC[C@H]1CN(C)C(=O)[C@H]1CCC1(C)C ZINC001085775192 782155573 /nfs/dbraw/zinc/15/55/73/782155573.db2.gz ROXSMRJIGOTWEB-UONOGXRCSA-N 0 1 264.413 2.531 20 30 CFEDMN CCCC[C@H](CC)C(=O)N=c1[nH]n(C(C)C)cc1C#N ZINC000361920144 521161105 /nfs/dbraw/zinc/16/11/05/521161105.db2.gz TVRLIYKTEDHLIU-LBPRGKRZSA-N 0 1 276.384 2.912 20 30 CFEDMN C=C(C)CN1CC[C@H]1CN(C)C(=O)[C@H]1CCCC1(C)C ZINC001085773729 782157212 /nfs/dbraw/zinc/15/72/12/782157212.db2.gz LEYRHEOOVBOQHL-LSDHHAIUSA-N 0 1 278.440 2.922 20 30 CFEDMN C[C@@H](Oc1ccccc1C#N)c1nc(C2(N)CCCC2)no1 ZINC000414612827 533964775 /nfs/dbraw/zinc/96/47/75/533964775.db2.gz FFQNGUINWZSJBP-LLVKDONJSA-N 0 1 298.346 2.809 20 30 CFEDMN CC1(C)C[C@H](O)CCN(Cc2cccc(C#N)c2F)C1 ZINC000336235521 520559199 /nfs/dbraw/zinc/55/91/99/520559199.db2.gz ABWLRVGDJDSQRX-CQSZACIVSA-N 0 1 276.355 2.680 20 30 CFEDMN CCOc1ccc(CN(C)Cc2cc(C#N)n(C)c2)cc1 ZINC000361496549 520962338 /nfs/dbraw/zinc/96/23/38/520962338.db2.gz MBCSCAWHEXRYHO-UHFFFAOYSA-N 0 1 283.375 2.927 20 30 CFEDMN CCN(Cc1ccc(C#N)cc1OC(F)F)[C@H]1CCOC1 ZINC000361586971 521298467 /nfs/dbraw/zinc/29/84/67/521298467.db2.gz BAIXMNIMVJFMKL-ZDUSSCGKSA-N 0 1 296.317 2.770 20 30 CFEDMN CO[C@]1(C)CCCN(Cc2ccc(C#N)c(F)c2)C1 ZINC000336055923 521751057 /nfs/dbraw/zinc/75/10/57/521751057.db2.gz BQMOQXXJJGHCBY-OAHLLOKOSA-N 0 1 262.328 2.698 20 30 CFEDMN C=C(C)CN1CC[C@H]1CN(C)C(=O)c1ccccc1CC ZINC001085787748 782162767 /nfs/dbraw/zinc/16/27/67/782162767.db2.gz VQPIYVYPIHBMOB-INIZCTEOSA-N 0 1 286.419 2.971 20 30 CFEDMN COc1cc(CNCc2cccc(C#N)c2)cc2c1OCO2 ZINC000066972028 522466702 /nfs/dbraw/zinc/46/67/02/522466702.db2.gz QNMPNVOROLTANA-UHFFFAOYSA-N 0 1 296.326 2.585 20 30 CFEDMN CCc1nccc([C@H]2CCCN(Cc3ccc(C#N)o3)C2)n1 ZINC000360793123 522581077 /nfs/dbraw/zinc/58/10/77/522581077.db2.gz YWNSGTLVYWOGLC-ZDUSSCGKSA-N 0 1 296.374 2.883 20 30 CFEDMN CN(CCOc1cccc(C#N)c1)Cc1ccoc1 ZINC000048554418 522910345 /nfs/dbraw/zinc/91/03/45/522910345.db2.gz YUYOSLCBZFCFGI-UHFFFAOYSA-N 0 1 256.305 2.662 20 30 CFEDMN CN(Cc1ccc(C#N)c(F)c1)[C@@H](CO)c1ccccc1 ZINC000361713247 523207950 /nfs/dbraw/zinc/20/79/50/523207950.db2.gz FZVKQWRKVJAVAI-KRWDZBQOSA-N 0 1 284.334 2.863 20 30 CFEDMN CC[C@@H]1CN(CC)CCN1C(=O)Nc1ccc(C#N)cc1 ZINC000334946502 523438446 /nfs/dbraw/zinc/43/84/46/523438446.db2.gz COLOMKBGZRMESP-OAHLLOKOSA-N 0 1 286.379 2.506 20 30 CFEDMN COc1ccc(C#N)cc1CN1CCC[C@](C)(OC)C1 ZINC000230265299 523524578 /nfs/dbraw/zinc/52/45/78/523524578.db2.gz HZUNIQGYXJOIFF-INIZCTEOSA-N 0 1 274.364 2.568 20 30 CFEDMN CO[C@@H]1CN(Cc2cccc(C#N)c2F)CC[C@@H]1C ZINC000221125364 523736827 /nfs/dbraw/zinc/73/68/27/523736827.db2.gz FOBCYBYSQZQFOJ-SMDDNHRTSA-N 0 1 262.328 2.554 20 30 CFEDMN CC[C@H](C)N(C)Cc1nnc(-c2ccc(C#N)cc2)o1 ZINC000072601573 523923488 /nfs/dbraw/zinc/92/34/88/523923488.db2.gz ZFLNYDUSSHYRDY-NSHDSACASA-N 0 1 270.336 2.839 20 30 CFEDMN N#C[C@H]1CC[C@@H](NCc2cn3cc(Cl)ccc3n2)C1 ZINC000335286363 534754865 /nfs/dbraw/zinc/75/48/65/534754865.db2.gz QSWWTZRWHJJPAO-CMPLNLGQSA-N 0 1 274.755 2.770 20 30 CFEDMN CNC(=O)C[C@@H](NCc1ccc(C#N)cc1)c1ccccc1 ZINC000360774376 524075494 /nfs/dbraw/zinc/07/54/94/524075494.db2.gz YQVGQBLJSSDILX-QGZVFWFLSA-N 0 1 293.370 2.525 20 30 CFEDMN C[C@H](CO)N(Cc1ccc(F)cc1C#N)CC1CCC1 ZINC000361485921 524544576 /nfs/dbraw/zinc/54/45/76/524544576.db2.gz PNIDOIJMVKWUSC-GFCCVEGCSA-N 0 1 276.355 2.680 20 30 CFEDMN Cc1nn(C)cc1CN(C)[C@H](C)c1cccc(C#N)c1 ZINC000425364395 534832883 /nfs/dbraw/zinc/83/28/83/534832883.db2.gz GCKHMDYGXAPNBU-CYBMUJFWSA-N 0 1 268.364 2.793 20 30 CFEDMN C[C@@H]1C[C@@H](O)C[C@H](C)N1Cc1ccc(C#N)cc1Cl ZINC000336278870 525282377 /nfs/dbraw/zinc/28/23/77/525282377.db2.gz BFYWXFKMOZXKAW-GNXNZQSNSA-N 0 1 278.783 2.945 20 30 CFEDMN Cc1c(C#N)cccc1C(=O)N1C[C@H]2CCCCN2C[C@H]1C ZINC000337852366 525539212 /nfs/dbraw/zinc/53/92/12/525539212.db2.gz JVTZLVMWGLPZFT-CZUORRHYSA-N 0 1 297.402 2.566 20 30 CFEDMN C[C@H](O)[C@@H]1CCCCN1Cc1ccc(C#N)cc1Cl ZINC000336403494 525832152 /nfs/dbraw/zinc/83/21/52/525832152.db2.gz NKKIJNZLXZSHSV-NHYWBVRUSA-N 0 1 278.783 2.947 20 30 CFEDMN C[C@@]1(O)CCCN(Cc2ccc(C#N)cc2Cl)CC1 ZINC000230352496 525881719 /nfs/dbraw/zinc/88/17/19/525881719.db2.gz SZDSGPOMFFSAKO-OAHLLOKOSA-N 0 1 278.783 2.949 20 30 CFEDMN Cc1ccc2c(c1)CCN(Cc1cc(C#N)n(C)c1)C2 ZINC000361725931 526151593 /nfs/dbraw/zinc/15/15/93/526151593.db2.gz ICNUDHDNICMPHK-UHFFFAOYSA-N 0 1 265.360 2.764 20 30 CFEDMN Cc1ccc2nc(CNc3cccc(C#N)n3)[nH]c2c1 ZINC000339220418 526249171 /nfs/dbraw/zinc/24/91/71/526249171.db2.gz VZZTWNYZYBGIQL-UHFFFAOYSA-N 0 1 263.304 2.750 20 30 CFEDMN C=CCN(CCc1ccco1)Cc1cncn1CC ZINC000417975989 526326843 /nfs/dbraw/zinc/32/68/43/526326843.db2.gz FFZQFBRMRFGQNE-UHFFFAOYSA-N 0 1 259.353 2.727 20 30 CFEDMN C=C(C)CN(CC)C(=O)CNC(C)(C)c1ccc(C)nc1 ZINC000353582938 526527076 /nfs/dbraw/zinc/52/70/76/526527076.db2.gz VINVLSQTEZJCRM-UHFFFAOYSA-N 0 1 289.423 2.639 20 30 CFEDMN N#Cc1ccc(F)cc1CN1CCC[C@@H]1[C@@H]1CCC[C@H]1O ZINC000300458150 526640290 /nfs/dbraw/zinc/64/02/90/526640290.db2.gz VMVQCINUYLDVQF-GVDBMIGSSA-N 0 1 288.366 2.823 20 30 CFEDMN N#Cc1ccc(NS(=O)(=O)c2ccco2)c(Cl)c1 ZINC000336104176 526665034 /nfs/dbraw/zinc/66/50/34/526665034.db2.gz RZDFWRNHHWEWFH-UHFFFAOYSA-N 0 1 282.708 2.605 20 30 CFEDMN N#Cc1ccccc1CN1CCC(c2c[nH]cn2)CC1 ZINC000336380076 526734800 /nfs/dbraw/zinc/73/48/00/526734800.db2.gz FJMMVPHTYYNFDY-UHFFFAOYSA-N 0 1 266.348 2.661 20 30 CFEDMN C=CCOc1cccc(CN2CCSC[C@@H]2CCO)c1 ZINC000355084666 526900767 /nfs/dbraw/zinc/90/07/67/526900767.db2.gz WEHUNGZABMXOCB-HNNXBMFYSA-N 0 1 293.432 2.551 20 30 CFEDMN C=CCCCN1CCN(C(=O)c2ccc(F)c(F)c2)CC1 ZINC000344601815 527198853 /nfs/dbraw/zinc/19/88/53/527198853.db2.gz OIAAYHUUJDGHQP-UHFFFAOYSA-N 0 1 294.345 2.689 20 30 CFEDMN Cn1cc(CN2CC[C@H](Oc3ccc(F)cc3)C2)cc1C#N ZINC000364831191 527206169 /nfs/dbraw/zinc/20/61/69/527206169.db2.gz VPETWTBEXMFRQM-KRWDZBQOSA-N 0 1 299.349 2.689 20 30 CFEDMN C=C[C@@H](C)NC(=O)[C@@H](CC)N(C)Cc1ccccc1 ZINC000355057791 527410989 /nfs/dbraw/zinc/41/09/89/527410989.db2.gz LLEWPLNPAYZRII-UKRRQHHQSA-N 0 1 260.381 2.588 20 30 CFEDMN C=C[C@H](C)NC(=O)[C@@H](CC)N(C)Cc1ccccc1 ZINC000355057786 527565790 /nfs/dbraw/zinc/56/57/90/527565790.db2.gz LLEWPLNPAYZRII-DZGCQCFKSA-N 0 1 260.381 2.588 20 30 CFEDMN C=C[C@H]1CCCCN1Cc1cc(=O)n2cc(C)ccc2n1 ZINC000336206515 527605707 /nfs/dbraw/zinc/60/57/07/527605707.db2.gz OVFZFWYGRTVRFK-HNNXBMFYSA-N 0 1 283.375 2.543 20 30 CFEDMN CCC[C@@H]1C[C@@H](C(=O)NC2(c3nnc[nH]3)CCC2)CCO1 ZINC000330342496 527807435 /nfs/dbraw/zinc/80/74/35/527807435.db2.gz AYSOQNAKTOKRIL-NWDGAFQWSA-N 0 1 292.383 2.736 20 30 CFEDMN CCC1CCN(C(=O)N[C@H]2CCCc3cn[nH]c32)CC1 ZINC000330158851 527863181 /nfs/dbraw/zinc/86/31/81/527863181.db2.gz ZZCHWWFRRBCWSY-ZDUSSCGKSA-N 0 1 276.384 2.823 20 30 CFEDMN CCOc1cccc(C=C(C)c2nc(C)c(C#N)c(=O)[nH]2)c1 ZINC000193612431 528625404 /nfs/dbraw/zinc/62/54/04/528625404.db2.gz HKWBPLVTAJUNJE-DHZHZOJOSA-N 0 1 295.342 2.909 20 30 CFEDMN CC(C)Cn1ccnc1CNC(=O)[C@@H]1CCCN1C1CC1 ZINC000330298330 528726464 /nfs/dbraw/zinc/72/64/64/528726464.db2.gz HHUQCPVIBKBALO-AWEZNQCLSA-N 0 1 290.411 2.622 20 30 CFEDMN CCCN1C(=O)N=NC1SCc1ccc(F)c(C#N)c1 ZINC000158120323 528821555 /nfs/dbraw/zinc/82/15/55/528821555.db2.gz HVJHDORLJCJAQC-UHFFFAOYSA-N 0 1 292.339 2.697 20 30 CFEDMN CC[C@@H]1CCCN(C([O-])=[NH+][C@@H]2CCn3ccnc3C2)CC1 ZINC000330280405 529291875 /nfs/dbraw/zinc/29/18/75/529291875.db2.gz SIZYAVIIIPTTCR-ZIAGYGMSSA-N 0 1 290.411 2.624 20 30 CFEDMN CC(C)[C@@H]1C[C@H](C(=O)Nc2cc(C#N)ccc2O)CCO1 ZINC000935108200 649876279 /nfs/dbraw/zinc/87/62/79/649876279.db2.gz NKUFBFZZSJNVFY-DOMZBBRYSA-N 0 1 288.347 2.654 20 30 CFEDMN CC(C)[C@H]1C[C@@H](C(=O)Nc2cc(C#N)ccc2O)CCO1 ZINC000935108202 649876619 /nfs/dbraw/zinc/87/66/19/649876619.db2.gz NKUFBFZZSJNVFY-SWLSCSKDSA-N 0 1 288.347 2.654 20 30 CFEDMN C=C[C@@H](CC)CC(=O)N[C@@H](c1nnc[nH]1)c1ccccc1 ZINC000935270819 649893289 /nfs/dbraw/zinc/89/32/89/649893289.db2.gz GBENVDGYKZJGCF-SWLSCSKDSA-N 0 1 284.363 2.613 20 30 CFEDMN Cc1ccc2c(c1)C(=NNC1=N[C@H]3CCCC[C@@H]3N1)CCC2 ZINC000753930042 574055655 /nfs/dbraw/zinc/05/56/55/574055655.db2.gz TVTVMFMCVUZQHH-IRXDYDNUSA-N 0 1 296.418 2.895 20 30 CFEDMN Cc1cc(C=NNC2=N[C@@H]3CCCC[C@H]3N2)c(C)n1C1CC1 ZINC000753936774 574056377 /nfs/dbraw/zinc/05/63/77/574056377.db2.gz ULBPFIIFSPBMKD-HZPDHXFCSA-N 0 1 299.422 2.634 20 30 CFEDMN CC(=NNC1=N[C@H]2CCCC[C@@H]2N1)c1ccc(Cl)cc1 ZINC000753940356 574057347 /nfs/dbraw/zinc/05/73/47/574057347.db2.gz UKSKAFYOBDDJRG-KBPBESRZSA-N 0 1 290.798 2.924 20 30 CFEDMN C=CCOCC(=O)C(C#N)c1nc2cc(F)ccc2s1 ZINC000730416431 574080465 /nfs/dbraw/zinc/08/04/65/574080465.db2.gz CZMXTBPCZXTSFW-SNVBAGLBSA-N 0 1 290.319 2.814 20 30 CFEDMN CC(=NNCCN1CCCCC1)c1ccc(C)c(C)c1O ZINC000728157107 574081898 /nfs/dbraw/zinc/08/18/98/574081898.db2.gz ULOVBPNYRSDQGF-UHFFFAOYSA-N 0 1 289.423 2.809 20 30 CFEDMN CC[C@H](C)C[N@@H+](C)[C@H](C(=O)[O-])c1ccc(C#N)cc1 ZINC000736879209 574083910 /nfs/dbraw/zinc/08/39/10/574083910.db2.gz AYIVRJRGHQLDQR-FZMZJTMJSA-N 0 1 260.337 2.662 20 30 CFEDMN CC[C@@H]1CCC[N@H+]([C@H](C(=O)[O-])c2ccc(C#N)cc2)C1 ZINC000736938860 574086403 /nfs/dbraw/zinc/08/64/03/574086403.db2.gz LOHQRTXAPFYVQG-DOMZBBRYSA-N 0 1 272.348 2.806 20 30 CFEDMN C=CCCC[N@@H+](C1CC1)C1CCN(C(=O)[O-])CC1 ZINC000738492488 574095243 /nfs/dbraw/zinc/09/52/43/574095243.db2.gz FRGOJAKOQNCAJL-UHFFFAOYSA-N 0 1 252.358 2.559 20 30 CFEDMN Cn1c2ccccc2[nH]c1=NN=Cc1ccccc1O ZINC000728776193 574108507 /nfs/dbraw/zinc/10/85/07/574108507.db2.gz MNQJMRQJGCRKIM-UHFFFAOYSA-N 0 1 266.304 2.725 20 30 CFEDMN Cc1nc2ccccn2c1C=NNc1ccc(F)cn1 ZINC000731321997 574116539 /nfs/dbraw/zinc/11/65/39/574116539.db2.gz VCSDJOCAADUXIA-UHFFFAOYSA-N 0 1 269.283 2.623 20 30 CFEDMN CC(=NNCC(F)F)c1[nH]c(-c2ccccc2)nc1C ZINC000740617905 574128137 /nfs/dbraw/zinc/12/81/37/574128137.db2.gz FSBVKMWAAOHBRA-UHFFFAOYSA-N 0 1 278.306 2.964 20 30 CFEDMN Cc1cc(CN=Nc2ccncc2Cl)cc(C)c1O ZINC000756841851 574132482 /nfs/dbraw/zinc/13/24/82/574132482.db2.gz ABKTXNGGSXZKLD-UHFFFAOYSA-N 0 1 275.739 2.925 20 30 CFEDMN CS(=O)(=O)c1ccccc1NN=Cc1ccccc1 ZINC000731932846 574134970 /nfs/dbraw/zinc/13/49/70/574134970.db2.gz DPEJGQRZRDUIEL-UHFFFAOYSA-N 0 1 274.345 2.536 20 30 CFEDMN Cc1ccc(-c2n[nH]cc2C=NNc2cc(C)ncn2)o1 ZINC000731935538 574135573 /nfs/dbraw/zinc/13/55/73/574135573.db2.gz DZHATFVRUATLKJ-UHFFFAOYSA-N 0 1 282.307 2.523 20 30 CFEDMN C[N@@H+](Cc1ccc(C#N)cc1)[C@@H](C(=O)[O-])c1ccc(F)cc1 ZINC000737452030 574142253 /nfs/dbraw/zinc/14/22/53/574142253.db2.gz VXUXAZSUMOIWHQ-MRXNPFEDSA-N 0 1 298.317 2.955 20 30 CFEDMN C=C(C)CN1CCN(C(=O)OC(C)(C)C)CC1(C)C ZINC000746482357 574150729 /nfs/dbraw/zinc/15/07/29/574150729.db2.gz ZXQCJUYCXYFNDN-UHFFFAOYSA-N 0 1 268.401 2.894 20 30 CFEDMN CC(=NN=c1nc[nH]c2sccc21)c1nccs1 ZINC000732621896 574162925 /nfs/dbraw/zinc/16/29/25/574162925.db2.gz KESDCQNGRMGECN-UHFFFAOYSA-N 0 1 275.362 2.984 20 30 CFEDMN C(=NNc1nc2ccccc2[nH]1)c1cnc2ccccn12 ZINC000755487981 574165381 /nfs/dbraw/zinc/16/53/81/574165381.db2.gz IUSYNSMEHDLPRB-UHFFFAOYSA-N 0 1 276.303 2.657 20 30 CFEDMN CC(C)NC(=O)C(C#N)C(=O)[C@@H](C)CCC(C)(C)C ZINC000755604898 574171673 /nfs/dbraw/zinc/17/16/73/574171673.db2.gz VPYBCGNMLZAOKS-NWDGAFQWSA-N 0 1 266.385 2.682 20 30 CFEDMN C=CCCCCC[N@H+](C)C[C@@H]1CCN(C(=O)[O-])C1 ZINC000738493797 574171648 /nfs/dbraw/zinc/17/16/48/574171648.db2.gz RRRWCJGKQCVMFE-ZDUSSCGKSA-N 0 1 254.374 2.665 20 30 CFEDMN N#Cc1ccccc1C=NNc1cnc2ccccc2n1 ZINC000755683422 574178131 /nfs/dbraw/zinc/17/81/31/574178131.db2.gz QCEBWPORXKIEOV-UHFFFAOYSA-N 0 1 273.299 2.947 20 30 CFEDMN Cc1cccc2c1CCC2=NNCCN1CCCCC1 ZINC000729142631 574178243 /nfs/dbraw/zinc/17/82/43/574178243.db2.gz WQGYOLSFDWEJCO-UHFFFAOYSA-N 0 1 271.408 2.721 20 30 CFEDMN C[C@@H]1CN(C2CC2)CC1N=Nc1nc(-c2ccccc2)no1 ZINC000755889288 574194320 /nfs/dbraw/zinc/19/43/20/574194320.db2.gz LFHWWAZIXQIDQD-LLVKDONJSA-N 0 1 297.362 2.619 20 30 CFEDMN COc1cccc(O)c1CN=Nc1cc(C)ccn1 ZINC000755901632 574195577 /nfs/dbraw/zinc/19/55/77/574195577.db2.gz GWSJPEUPTKGKOX-UHFFFAOYSA-N 0 1 257.293 2.550 20 30 CFEDMN N#Cc1ccc([C@@H](C(=O)[O-])[N@H+]2CCc3ccccc3C2)cc1 ZINC000739107569 574198862 /nfs/dbraw/zinc/19/88/62/574198862.db2.gz XTHNLSUUFXCROM-KRWDZBQOSA-N 0 1 292.338 2.742 20 30 CFEDMN C=CC[N@@H+](CC(=O)Nc1cc(C)nn1C(C)(C)C)C(C)C ZINC000733309022 574219681 /nfs/dbraw/zinc/21/96/81/574219681.db2.gz XRJYVNMONLJRPI-UHFFFAOYSA-N 0 1 292.427 2.781 20 30 CFEDMN C=CCN(CC(=O)Nc1cc(C)nn1C(C)(C)C)C(C)C ZINC000733309022 574219683 /nfs/dbraw/zinc/21/96/83/574219683.db2.gz XRJYVNMONLJRPI-UHFFFAOYSA-N 0 1 292.427 2.781 20 30 CFEDMN COC[C@@H](C)CC(=O)[C@H](C#N)c1nc2cccc(C)c2[nH]1 ZINC000756289810 574222083 /nfs/dbraw/zinc/22/20/83/574222083.db2.gz KEJANSZLYGIRIH-JQWIXIFHSA-N 0 1 285.347 2.720 20 30 CFEDMN C[C@H](CC(=O)Nc1cc(C#N)ccc1O)n1cccc1 ZINC000748003449 574224669 /nfs/dbraw/zinc/22/46/69/574224669.db2.gz VTQNRYIJVMJGHU-LLVKDONJSA-N 0 1 269.304 2.655 20 30 CFEDMN C[C@@H](OCc1ccccc1)C(=O)Nc1cc(C#N)ccc1O ZINC000748003237 574224682 /nfs/dbraw/zinc/22/46/82/574224682.db2.gz ALEYHCYAVXZBDG-GFCCVEGCSA-N 0 1 296.326 2.808 20 30 CFEDMN N#Cc1csc(CN[C@@H](CCO)c2cccs2)c1 ZINC000748099193 574229108 /nfs/dbraw/zinc/22/91/08/574229108.db2.gz HFPRQQAWNGPZBM-LBPRGKRZSA-N 0 1 278.402 2.895 20 30 CFEDMN C#CCN1CCC[C@@H]1COC(=O)CCCc1ccccc1 ZINC000729810010 574232997 /nfs/dbraw/zinc/23/29/97/574232997.db2.gz QSJFJFOUCXBOOZ-QGZVFWFLSA-N 0 1 285.387 2.650 20 30 CFEDMN C#CCN1CCC[C@@H]1COC(=O)C(C)(C)Cc1ccccc1 ZINC000756541593 574244872 /nfs/dbraw/zinc/24/48/72/574244872.db2.gz JGWANTQREXCRLP-QGZVFWFLSA-N 0 1 299.414 2.896 20 30 CFEDMN C#CCN1CCC[C@H]1COC(=O)c1ccc(C)cc1C ZINC000756542193 574245192 /nfs/dbraw/zinc/24/51/92/574245192.db2.gz GFNKWEBPNKQVBV-HNNXBMFYSA-N 0 1 271.360 2.558 20 30 CFEDMN C=CCCCC(=O)Nc1nc(-c2cccs2)n[nH]1 ZINC000748296593 574245570 /nfs/dbraw/zinc/24/55/70/574245570.db2.gz PGTMUQUOZHYKDD-UHFFFAOYSA-N 0 1 262.338 2.828 20 30 CFEDMN Cc1cc(C)n([C@H](C)CC(=O)Nc2cc(C#N)ccc2O)n1 ZINC000748411207 574251457 /nfs/dbraw/zinc/25/14/57/574251457.db2.gz MAXSTOUYXMBVAO-GFCCVEGCSA-N 0 1 298.346 2.667 20 30 CFEDMN C[C@H](C(=O)Nc1cc(C#N)ccc1O)c1ccco1 ZINC000748411671 574251512 /nfs/dbraw/zinc/25/15/12/574251512.db2.gz WOYNLUKGKPZSQU-VIFPVBQESA-N 0 1 256.261 2.599 20 30 CFEDMN N#Cc1ccc(O)c(NC(=O)[C@H]2CC23CCCC3)c1 ZINC000748411178 574251535 /nfs/dbraw/zinc/25/15/35/574251535.db2.gz LHJDKKCVNWSPHI-LLVKDONJSA-N 0 1 256.305 2.783 20 30 CFEDMN CC(=NNc1ncnc2nc[nH]c21)c1sccc1C ZINC000733746815 574254801 /nfs/dbraw/zinc/25/48/01/574254801.db2.gz CVJFXFLRFAQRTK-UHFFFAOYSA-N 0 1 272.337 2.559 20 30 CFEDMN FC(F)CNN=Cc1ccc(N2CCCCC2)cc1 ZINC000740616411 574257971 /nfs/dbraw/zinc/25/79/71/574257971.db2.gz LZUXXVUTUUIYPP-UHFFFAOYSA-N 0 1 267.323 2.866 20 30 CFEDMN CC(N=Nc1ccncc1Cl)c1ccc2c(c1)OCO2 ZINC000756840457 574266891 /nfs/dbraw/zinc/26/68/91/574266891.db2.gz YJQVYWFZODFVPQ-UHFFFAOYSA-N 0 1 289.722 2.722 20 30 CFEDMN C=CCN(C/C=C(\C)C(=O)OC)Cc1ccc(OC)cc1 ZINC000748812720 574268310 /nfs/dbraw/zinc/26/83/10/574268310.db2.gz DQTZAOZUXQQRGY-GXDHUFHOSA-N 0 1 289.375 2.803 20 30 CFEDMN CCCCCCCN1CCN(C(=O)C2CC2)CC1 ZINC000740873982 574271514 /nfs/dbraw/zinc/27/15/14/574271514.db2.gz RUPHGHCHLRUIQR-UHFFFAOYSA-N 0 1 252.402 2.511 20 30 CFEDMN C#CCN(CC(=O)NC1CCCCCC1)C1CCCC1 ZINC000756911631 574272813 /nfs/dbraw/zinc/27/28/13/574272813.db2.gz XQCYULABRISOBL-UHFFFAOYSA-N 0 1 276.424 2.703 20 30 CFEDMN C=CC[C@H](NCc1ccc(CO)o1)c1ccncc1 ZINC000742371491 574279016 /nfs/dbraw/zinc/27/90/16/574279016.db2.gz ZQVCGKXUTOAJOK-HNNXBMFYSA-N 0 1 258.321 2.574 20 30 CFEDMN COc1ccc(C=NNCCN2CCCCC2)cc1Cl ZINC000741460735 574291149 /nfs/dbraw/zinc/29/11/49/574291149.db2.gz BCQIJTZJQOUPBA-UHFFFAOYSA-N 0 1 295.814 2.758 20 30 CFEDMN CC(C)CON=C1CCN(Cc2ccccn2)C[C@@H]1C ZINC000749636011 574303690 /nfs/dbraw/zinc/30/36/90/574303690.db2.gz CQKLRNFASNOCIH-AWEZNQCLSA-N 0 1 275.396 2.952 20 30 CFEDMN CC(=NN[C@H](C)CO)c1ccc(N2CCCCC2)c(F)c1 ZINC000749813910 574310684 /nfs/dbraw/zinc/31/06/84/574310684.db2.gz GXBLQFMSXMLWOF-GFCCVEGCSA-N 0 1 293.386 2.510 20 30 CFEDMN C=C(C)CNC(=S)Nc1cnccc1SC ZINC000749896663 574314472 /nfs/dbraw/zinc/31/44/72/574314472.db2.gz HEZZHYPHLYPVCP-UHFFFAOYSA-N 0 1 253.396 2.666 20 30 CFEDMN C[C@@H](c1ccc(C#N)cc1)[N@H+]1CCC[C@@H](N(C)C(=O)[O-])C1 ZINC000739052663 574329042 /nfs/dbraw/zinc/32/90/42/574329042.db2.gz HTYGZFGWMAAHKI-SWLSCSKDSA-N 0 1 287.363 2.693 20 30 CFEDMN CC(C)(C)CN(CCC#N)Cc1ccccc1-c1nn[nH]n1 ZINC000735603163 574330804 /nfs/dbraw/zinc/33/08/04/574330804.db2.gz YQCYNXVMQLVZDX-UHFFFAOYSA-N 0 1 298.394 2.628 20 30 CFEDMN CSCCC(=O)[C@H](C#N)c1nc2cccc(C)c2[nH]1 ZINC000735788739 574335601 /nfs/dbraw/zinc/33/56/01/574335601.db2.gz LERVOZDTZDSGQK-JTQLQIEISA-N 0 1 273.361 2.801 20 30 CFEDMN Cc1ccccc1C=Nn1c(=O)c2ccccc2[nH]c1=S ZINC000725860140 574335714 /nfs/dbraw/zinc/33/57/14/574335714.db2.gz XSYAZHNNXBHKFS-UHFFFAOYSA-N 0 1 295.367 2.876 20 30 CFEDMN N#Cc1cccc(COC(=O)c2c(F)cc(O)cc2F)c1 ZINC000735951503 574343704 /nfs/dbraw/zinc/34/37/04/574343704.db2.gz YXCYCMLWTBSAGV-UHFFFAOYSA-N 0 1 289.237 2.899 20 30 CFEDMN C[C@@H]1CCC[C@@H](CC(=O)C(C#N)C(=O)Nc2ccccn2)C1 ZINC000750667117 574350201 /nfs/dbraw/zinc/35/02/01/574350201.db2.gz CSUPCGQXBZEHNR-MCIONIFRSA-N 0 1 299.374 2.945 20 30 CFEDMN C[C@@H]1CCC[C@@H](CC(=O)C(C#N)C(=O)N2CCCC2)C1 ZINC000750668791 574350833 /nfs/dbraw/zinc/35/08/33/574350833.db2.gz YKENBPCXJNFMQK-MCIONIFRSA-N 0 1 276.380 2.534 20 30 CFEDMN C[C@H](C(=O)C(C#N)C(=O)NCc1ccccc1)C1CCCC1 ZINC000750684097 574351015 /nfs/dbraw/zinc/35/10/15/574351015.db2.gz MEKDCAHLXDDCNF-BBRMVZONSA-N 0 1 298.386 2.838 20 30 CFEDMN Cc1c(N=NC2C[N@@H+](C3CC3)C[C@@H]2C)cccc1[N+](=O)[O-] ZINC000755890200 574360499 /nfs/dbraw/zinc/36/04/99/574360499.db2.gz QPBVFHFJXQHCJK-JTQLQIEISA-N 0 1 288.351 2.785 20 30 CFEDMN CCn1cc(CN=Nc2cccc(F)c2F)cn1 ZINC000743442804 574363264 /nfs/dbraw/zinc/36/32/64/574363264.db2.gz HJUORBKAUOOATP-UHFFFAOYSA-N 0 1 250.252 2.627 20 30 CFEDMN CCO[C@H]1CC(=NNCCN2CCCCC2)C12CCCC2 ZINC000743439131 574364333 /nfs/dbraw/zinc/36/43/33/574364333.db2.gz SBNIOHWKPCZDBQ-INIZCTEOSA-N 0 1 293.455 2.787 20 30 CFEDMN C#CCOc1ccccc1C=NNc1cc(C)ccn1 ZINC000755901407 574364884 /nfs/dbraw/zinc/36/48/84/574364884.db2.gz VUEYWSLYHUUJIQ-UHFFFAOYSA-N 0 1 265.316 2.848 20 30 CFEDMN Cc1cc[nH+]c([N-]N=Cc2nc(-c3ccccc3)no2)c1 ZINC000755907185 574365855 /nfs/dbraw/zinc/36/58/55/574365855.db2.gz WWRDVXICDKUPAZ-UHFFFAOYSA-N 0 1 279.303 2.886 20 30 CFEDMN C#CCN(CC#CC)CCCc1cccc(OC)c1 ZINC000743852640 574373996 /nfs/dbraw/zinc/37/39/96/574373996.db2.gz XPSXHNZOKJUUNO-UHFFFAOYSA-N 0 1 255.361 2.586 20 30 CFEDMN C[C@H]1CN(C)CC1N=Nc1cccc(Cl)c1F ZINC000752165311 574388679 /nfs/dbraw/zinc/38/86/79/574388679.db2.gz VJCGOAAAKHRRFY-QMMMGPOBSA-N 0 1 255.724 2.829 20 30 CFEDMN C(=NNCCN1CCCCC1)[C@@H]1CCOc2ccccc21 ZINC000752165760 574388879 /nfs/dbraw/zinc/38/88/79/574388879.db2.gz YUCWLINWIAULJJ-HNNXBMFYSA-N 0 1 287.407 2.614 20 30 CFEDMN CN1CCc2cc(C=[NH+][N-]c3ccc(Cl)nn3)ccc21 ZINC000752719167 574393911 /nfs/dbraw/zinc/39/39/11/574393911.db2.gz STFZLPYGBNDADR-UHFFFAOYSA-N 0 1 287.754 2.568 20 30 CFEDMN Cc1cc(N=NCc2cnc(-c3ccncc3)s2)ncn1 ZINC000753165899 574399672 /nfs/dbraw/zinc/39/96/72/574399672.db2.gz QGRSWUMRSIPCHI-UHFFFAOYSA-N 0 1 296.359 2.750 20 30 CFEDMN Fc1ccc(Cl)cc1C=NNc1cnccn1 ZINC000753697580 574408125 /nfs/dbraw/zinc/40/81/25/574408125.db2.gz PXMSOFFBUPJRSI-UHFFFAOYSA-N 0 1 250.664 2.715 20 30 CFEDMN CC(C)(CCC#N)C[N@H+]1CCC[C@H](CC(=O)[O-])C1 ZINC000819940445 598151953 /nfs/dbraw/zinc/15/19/53/598151953.db2.gz FNRMOYCCJNDBCM-GFCCVEGCSA-N 0 1 252.358 2.503 20 30 CFEDMN CC(C)C[N@@H+](CCC#N)CCOc1cccc(C(=O)[O-])c1 ZINC000043416895 600572074 /nfs/dbraw/zinc/57/20/74/600572074.db2.gz YPKBHRSMUILLOH-UHFFFAOYSA-N 0 1 290.363 2.635 20 30 CFEDMN CC(C)C[N@H+](CCC#N)CCOc1cccc(C(=O)[O-])c1 ZINC000043416895 600572076 /nfs/dbraw/zinc/57/20/76/600572076.db2.gz YPKBHRSMUILLOH-UHFFFAOYSA-N 0 1 290.363 2.635 20 30 CFEDMN CC[C@H]1C[N@H+]([C@H](C(=O)[O-])c2ccc(C#N)cc2)CCS1 ZINC000829141270 601042889 /nfs/dbraw/zinc/04/28/89/601042889.db2.gz KYBXYEMDKNGTJC-KBPBESRZSA-N 0 1 290.388 2.511 20 30 CFEDMN C#CC[N@H+](C/C=C(\C)C(=O)[O-])[C@H]1CCc2ccccc21 ZINC000825614711 601049746 /nfs/dbraw/zinc/04/97/46/601049746.db2.gz VXZVSBOPDNRVAH-ISBHARSQSA-N 0 1 269.344 2.640 20 30 CFEDMN CC[N@@H+](C/C=C(\C)C(=O)[O-])[C@@H](C)c1ccc(C#N)cc1 ZINC000829692644 601052483 /nfs/dbraw/zinc/05/24/83/601052483.db2.gz MQBGNNUTTFTZCM-SRXBQZRASA-N 0 1 272.348 2.972 20 30 CFEDMN CCC[N@@H+](C/C=C(\C)C(=O)[O-])Cc1ccc(C#N)cc1 ZINC000829486780 601156629 /nfs/dbraw/zinc/15/66/29/601156629.db2.gz NBFXHQVKQGQOSK-MDWZMJQESA-N 0 1 272.348 2.801 20 30 CFEDMN C[C@@H]1C[N@@H+]([C@@H](C(=O)[O-])c2cccc(C#N)c2)C[C@H](C)S1 ZINC000828414282 601321246 /nfs/dbraw/zinc/32/12/46/601321246.db2.gz YRONXIXEXRGRPA-UHIISALHSA-N 0 1 290.388 2.510 20 30 CFEDMN CC[C@H]1C[N@H+]([C@@H](C(=O)[O-])c2cccc(C#N)c2)CCS1 ZINC000829141550 601321708 /nfs/dbraw/zinc/32/17/08/601321708.db2.gz NDDZRVCAKFFAQJ-UONOGXRCSA-N 0 1 290.388 2.511 20 30 CFEDMN C[N@@H+](CC#Cc1ccc(C(F)(F)F)cc1)C(C)(C)C(=O)[O-] ZINC000830660999 601418817 /nfs/dbraw/zinc/41/88/17/601418817.db2.gz MJKDEIFWXQJHGI-UHFFFAOYSA-N 0 1 299.292 2.852 20 30 CFEDMN CC(C)[N@H+](CCC#N)Cc1ccc(C(=O)[O-])c(F)c1 ZINC000232652190 601642547 /nfs/dbraw/zinc/64/25/47/601642547.db2.gz OOTJVNWHTQCLOC-UHFFFAOYSA-N 0 1 264.300 2.648 20 30 CFEDMN CC(C)[N@@H+](CCC#N)Cc1ccc(C(=O)[O-])c(F)c1 ZINC000232652190 601642550 /nfs/dbraw/zinc/64/25/50/601642550.db2.gz OOTJVNWHTQCLOC-UHFFFAOYSA-N 0 1 264.300 2.648 20 30 CFEDMN C#CC[N@H+](Cc1ccc(F)cc1C(=O)[O-])C1CCCC1 ZINC000825614823 601664529 /nfs/dbraw/zinc/66/45/29/601664529.db2.gz YSKJMFIWDVVGKB-UHFFFAOYSA-N 0 1 275.323 2.902 20 30 CFEDMN CC1(C)CCCN(C(=O)c2cc(F)cc(F)c2O)[C@@H]1C#N ZINC000935662832 649927347 /nfs/dbraw/zinc/92/73/47/649927347.db2.gz LPJDQXBRDFSBKQ-GFCCVEGCSA-N 0 1 294.301 2.825 20 30 CFEDMN C[N@@H+](Cc1ccsc1C(=O)[O-])Cc1ccc(C#N)cc1 ZINC000830811080 601806737 /nfs/dbraw/zinc/80/67/37/601806737.db2.gz LRZIZLCDTGFFMJ-UHFFFAOYSA-N 0 1 286.356 2.950 20 30 CFEDMN N#Cc1cc(F)ccc1C[NH+]1CCC(CCC(=O)[O-])CC1 ZINC000071264025 601842536 /nfs/dbraw/zinc/84/25/36/601842536.db2.gz MPBOGFRGSRVIRJ-UHFFFAOYSA-N 0 1 290.338 2.774 20 30 CFEDMN CCC[N@@H+](CCCC(C)(C)C#N)[C@@H]1CCN(C(=O)[O-])C1 ZINC000826911843 603997852 /nfs/dbraw/zinc/99/78/52/603997852.db2.gz GWJQESFROPDILP-CYBMUJFWSA-N 0 1 281.400 2.781 20 30 CFEDMN C=CCOc1cccc(C[N@@H+]2CCC[C@@H](C(=O)[O-])C2)c1 ZINC000066115126 604524244 /nfs/dbraw/zinc/52/42/44/604524244.db2.gz GJDLGLCNBJPMDP-CQSZACIVSA-N 0 1 275.348 2.548 20 30 CFEDMN C#C[C@@H](NC(=O)c1ccc(CN2CCCCC2)o1)C(C)C ZINC000935801001 649947221 /nfs/dbraw/zinc/94/72/21/649947221.db2.gz MCHUPTDHUSRPRC-OAHLLOKOSA-N 0 1 288.391 2.653 20 30 CFEDMN C=CCCC[N@H+](C)Cc1cccc(C(=O)[O-])c1C#N ZINC000833374176 604608439 /nfs/dbraw/zinc/60/84/39/604608439.db2.gz TYJFQYPXYCFFRK-UHFFFAOYSA-N 0 1 258.321 2.654 20 30 CFEDMN C[C@H]1C[NH+](Cc2cccc(C(=O)[O-])c2C#N)C[C@H](C)S1 ZINC000833629702 604610979 /nfs/dbraw/zinc/61/09/79/604610979.db2.gz LLRQKJOELIZHLI-QWRGUYRKSA-N 0 1 290.388 2.582 20 30 CFEDMN C[C@H]1CCC[N@@H+](Cc2cccc(C(=O)[O-])c2C#N)[C@H]1C ZINC000833613119 604611001 /nfs/dbraw/zinc/61/10/01/604611001.db2.gz DJAXQUPBHKJOCL-RYUDHWBXSA-N 0 1 272.348 2.877 20 30 CFEDMN C=C(C)COc1cc(C[N@@H+](CC)CC(=O)[O-])ccc1OC ZINC000833369388 604630171 /nfs/dbraw/zinc/63/01/71/604630171.db2.gz UIJUNTPBZXEJRW-UHFFFAOYSA-N 0 1 293.363 2.557 20 30 CFEDMN C#CCOc1ccc(C[N@H+](CC(=O)[O-])C2CCCC2)cc1 ZINC000833366923 604662803 /nfs/dbraw/zinc/66/28/03/604662803.db2.gz LUYQMKSJPVOUDZ-UHFFFAOYSA-N 0 1 287.359 2.528 20 30 CFEDMN C#CC[N@H+](Cc1c[nH]c(C(=O)[O-])c1)[C@@H]1CCc2ccccc21 ZINC000825614102 604681781 /nfs/dbraw/zinc/68/17/81/604681781.db2.gz FWRNTXZZMFVNQW-QGZVFWFLSA-N 0 1 294.354 2.836 20 30 CFEDMN CC(C)(CCC#N)C[N@@H+](CCc1ccccc1)CC(=O)[O-] ZINC000833457087 605235123 /nfs/dbraw/zinc/23/51/23/605235123.db2.gz LPXGGXXCJKEGQV-UHFFFAOYSA-N 0 1 288.391 2.946 20 30 CFEDMN C=CCCCn1cc(CN(C(C)C)C(C)C)nn1 ZINC000900524657 620683127 /nfs/dbraw/zinc/68/31/27/620683127.db2.gz PHFVNAYRXCHCLT-UHFFFAOYSA-N 0 1 250.390 2.863 20 30 CFEDMN C=CC[N@@H+](Cc1cccs1)C[C@@H]1CC(C(=O)[O-])=C(C)O1 ZINC000833375948 605314693 /nfs/dbraw/zinc/31/46/93/605314693.db2.gz KABUXVWABRDXES-LBPRGKRZSA-N 0 1 293.388 2.884 20 30 CFEDMN C#CCC(C)(C)C(=O)OC[C@@H]1CCN1Cc1ccccc1 ZINC000851468683 634381857 /nfs/dbraw/zinc/38/18/57/634381857.db2.gz NUMYFEXXMGFVEE-INIZCTEOSA-N 0 1 285.387 2.854 20 30 CFEDMN C=CCOc1cccc(C[N@H+](C[C@H](C)C(=O)[O-])C2CC2)c1 ZINC000833378310 605750467 /nfs/dbraw/zinc/75/04/67/605750467.db2.gz DFCPHLUIMYFAOR-ZDUSSCGKSA-N 0 1 289.375 2.937 20 30 CFEDMN C#Cc1cccc(N(CC)C(=O)[C@H]2CC[N@H+]2C(C)(C)C)c1 ZINC000900561511 620688505 /nfs/dbraw/zinc/68/85/05/620688505.db2.gz IECXCMPJSXJUEB-MRXNPFEDSA-N 0 1 284.403 2.894 20 30 CFEDMN C#Cc1cccc(N(CC)C(=O)[C@H]2CCN2C(C)(C)C)c1 ZINC000900561511 620688507 /nfs/dbraw/zinc/68/85/07/620688507.db2.gz IECXCMPJSXJUEB-MRXNPFEDSA-N 0 1 284.403 2.894 20 30 CFEDMN C#Cc1cccc(N(C)C(=O)[C@@H]2CC[N@H+]2C(C)(C)C)c1 ZINC000900562571 620688557 /nfs/dbraw/zinc/68/85/57/620688557.db2.gz NGMHCGSFJFLRGJ-HNNXBMFYSA-N 0 1 270.376 2.504 20 30 CFEDMN C#Cc1cccc(N(C)C(=O)[C@@H]2CCN2C(C)(C)C)c1 ZINC000900562571 620688559 /nfs/dbraw/zinc/68/85/59/620688559.db2.gz NGMHCGSFJFLRGJ-HNNXBMFYSA-N 0 1 270.376 2.504 20 30 CFEDMN CC(C)c1nc(-c2nn[nH]n2)c(N=NC(C)C2CCC2)o1 ZINC000819783229 606165568 /nfs/dbraw/zinc/16/55/68/606165568.db2.gz TUBLYJRKJJLPPL-UHFFFAOYSA-N 0 1 289.343 2.566 20 30 CFEDMN C#CCCN1CCCN(C(=O)C2(C)CCCCC2)CC1 ZINC000981872787 613002216 /nfs/dbraw/zinc/00/22/16/613002216.db2.gz XBRCIFSFWYFJDJ-UHFFFAOYSA-N 0 1 276.424 2.514 20 30 CFEDMN C#CCCN1CCCN(C(=O)[C@@]2(C)CCC[C@H]2CC)CC1 ZINC000981451454 613004582 /nfs/dbraw/zinc/00/45/82/613004582.db2.gz SXCUBMUKDCXPGA-AEFFLSMTSA-N 0 1 290.451 2.760 20 30 CFEDMN C#CCCN1CC[C@@H](C)[C@H](NC(=O)c2ccc(C)s2)C1 ZINC000964709051 613015625 /nfs/dbraw/zinc/01/56/25/613015625.db2.gz GMVZREALXJGONK-TZMCWYRMSA-N 0 1 290.432 2.520 20 30 CFEDMN C#CCN1CCCCC[C@@H]1CNC(=O)[C@H]1CCC(C)(C)C1 ZINC000969018119 613146317 /nfs/dbraw/zinc/14/63/17/613146317.db2.gz WOVGGQHUAWJAMS-JKSUJKDBSA-N 0 1 290.451 2.807 20 30 CFEDMN C#CCN1CCCCC[C@@H]1CNC(=O)c1csc(C)c1 ZINC000969073061 613147324 /nfs/dbraw/zinc/14/73/24/613147324.db2.gz VPMFUMDBGSFAAW-OAHLLOKOSA-N 0 1 290.432 2.664 20 30 CFEDMN C#Cc1ccc(C(=O)N(CC)C2CN(CCC3CC3)C2)cc1 ZINC000951117323 613167010 /nfs/dbraw/zinc/16/70/10/613167010.db2.gz MOEZENOWLOUINH-UHFFFAOYSA-N 0 1 296.414 2.614 20 30 CFEDMN C#CCN1CC[C@@H](NC(=O)C2CCC=CCC2)C(C)(C)C1 ZINC000941226390 613223683 /nfs/dbraw/zinc/22/36/83/613223683.db2.gz ODCPZSPCVCOWTQ-MRXNPFEDSA-N 0 1 288.435 2.583 20 30 CFEDMN C#CCN1CC[C@H](NC(=O)C(F)=C2CCCC2)C(C)(C)C1 ZINC000940672032 613256504 /nfs/dbraw/zinc/25/65/04/613256504.db2.gz GFJRWCOAPVPCQO-AWEZNQCLSA-N 0 1 292.398 2.634 20 30 CFEDMN C=C(C)CCN1CCN(C(=O)CC2CC(F)(F)C2)CC1 ZINC000948928596 613257172 /nfs/dbraw/zinc/25/71/72/613257172.db2.gz LJSAHUMLRBJWNV-UHFFFAOYSA-N 0 1 286.366 2.532 20 30 CFEDMN C=C(C)CCN1CCN(C(=O)[C@H]2CC[C@@H]3C[C@@H]3CC2)CC1 ZINC000949421943 613258949 /nfs/dbraw/zinc/25/89/49/613258949.db2.gz ZUOVDJYCDHAQBT-BJWYYQGGSA-N 0 1 290.451 2.923 20 30 CFEDMN C=C(C)CCN1CCN(C(=O)[C@@H]2CCC[C@H]2CC)CC1 ZINC000950099368 613259329 /nfs/dbraw/zinc/25/93/29/613259329.db2.gz MROWFNJPXRJUMV-HZPDHXFCSA-N 0 1 278.440 2.923 20 30 CFEDMN C=C(C)CCN1CCN(C(=O)[C@H]2CCC[C@H]2CC)CC1 ZINC000950099366 613260496 /nfs/dbraw/zinc/26/04/96/613260496.db2.gz MROWFNJPXRJUMV-CVEARBPZSA-N 0 1 278.440 2.923 20 30 CFEDMN C=C(C)CCN1CCN(C(=O)c2cc3ccccn3c2)CC1 ZINC000951172885 613260917 /nfs/dbraw/zinc/26/09/17/613260917.db2.gz LGXHDZPXISVXBM-UHFFFAOYSA-N 0 1 297.402 2.663 20 30 CFEDMN C#CCN1CC[C@H](NC(=O)c2ccc(CC)cc2)C(C)(C)C1 ZINC000941201842 613268810 /nfs/dbraw/zinc/26/88/10/613268810.db2.gz XZOQTYNOEGDOSC-KRWDZBQOSA-N 0 1 298.430 2.713 20 30 CFEDMN C#CCN1CC[C@H](NC(=O)c2sc(C)cc2C)C[C@H]1C ZINC000947351974 613279240 /nfs/dbraw/zinc/27/92/40/613279240.db2.gz IDJMVXUDSCCEBY-OCCSQVGLSA-N 0 1 290.432 2.581 20 30 CFEDMN C#CCN1C[C@@H](NC(=O)[C@H]2CCC=CCCC2)C(C)(C)C1 ZINC000974737844 613282160 /nfs/dbraw/zinc/28/21/60/613282160.db2.gz ICPUIBBCOFBXAC-JKSUJKDBSA-N 0 1 288.435 2.583 20 30 CFEDMN C#CCN1C[C@H](NC(=O)[C@@H]2CCC=CCCC2)C(C)(C)C1 ZINC000974737827 613297929 /nfs/dbraw/zinc/29/79/29/613297929.db2.gz ICPUIBBCOFBXAC-CVEARBPZSA-N 0 1 288.435 2.583 20 30 CFEDMN C=C(C)CN1CC([C@@H](C)NC(=O)c2occc2Cl)C1 ZINC000970373460 613301216 /nfs/dbraw/zinc/30/12/16/613301216.db2.gz BIPWRMDGQIRFGL-SNVBAGLBSA-N 0 1 282.771 2.559 20 30 CFEDMN C=C(C)CN1CC([C@@H](C)NC(=O)c2coc(C(F)F)c2)C1 ZINC000970335133 613301342 /nfs/dbraw/zinc/30/13/42/613301342.db2.gz KULXEJYFXLGRJJ-SNVBAGLBSA-N 0 1 298.333 2.843 20 30 CFEDMN C=C(C)CN1CCCN(C(=O)C2CC(C)(C)C2)CC1 ZINC000981089760 613307731 /nfs/dbraw/zinc/30/77/31/613307731.db2.gz YYJPOVYTYJPENF-UHFFFAOYSA-N 0 1 264.413 2.533 20 30 CFEDMN C=C(C)CN1CCCN(C(=O)[C@@H]2CCCC23CC3)CC1 ZINC000981442174 613309628 /nfs/dbraw/zinc/30/96/28/613309628.db2.gz JZGTYESUBDGUPH-HNNXBMFYSA-N 0 1 276.424 2.677 20 30 CFEDMN C=C(C)CN1CCCN(C(=O)[C@@H]2CCC(C)(C)C2)CC1 ZINC000981906337 613309699 /nfs/dbraw/zinc/30/96/99/613309699.db2.gz JXZFGXMUAGBQEK-OAHLLOKOSA-N 0 1 278.440 2.923 20 30 CFEDMN C=C(C)CN1CCCN(C(=O)[C@@]2(C)CCC[C@@H]2C)CC1 ZINC000981896166 613310376 /nfs/dbraw/zinc/31/03/76/613310376.db2.gz GTUZRFYOEYTRGA-RDJZCZTQSA-N 0 1 278.440 2.923 20 30 CFEDMN C=C(Cl)CN1CCC[C@H](N(C)C(=O)C(C)C)CC1 ZINC000948200202 613374508 /nfs/dbraw/zinc/37/45/08/613374508.db2.gz CHHMFIUPVURDPI-ZDUSSCGKSA-N 0 1 272.820 2.708 20 30 CFEDMN C=C(Cl)CN1CC[C@@H]([C@@H]2CCCN(C(=O)CC)C2)C1 ZINC000961071943 613377563 /nfs/dbraw/zinc/37/75/63/613377563.db2.gz XNSGTKWENJRHEZ-ZIAGYGMSSA-N 0 1 284.831 2.709 20 30 CFEDMN C=C(Cl)CN[C@@H]1CCN(C(=O)C[C@@H]2CC=CCC2)C1 ZINC000969597144 613384826 /nfs/dbraw/zinc/38/48/26/613384826.db2.gz NOULRYQXPJHMFT-ZIAGYGMSSA-N 0 1 282.815 2.676 20 30 CFEDMN C=C(Cl)CN[C@@H]1CCN(C(=O)[C@@H]2CCCC23CC3)C1 ZINC000969080476 613384912 /nfs/dbraw/zinc/38/49/12/613384912.db2.gz VBKXKDRIJGEKMQ-OLZOCXBDSA-N 0 1 282.815 2.510 20 30 CFEDMN C=C(Cl)CN[C@@H]1CCN(C(=O)[C@H]2CC[C@@H]3C[C@@H]3CC2)C1 ZINC000969429676 613385034 /nfs/dbraw/zinc/38/50/34/613385034.db2.gz UATBQZGVGJYJCF-LXTVHRRPSA-N 0 1 296.842 2.756 20 30 CFEDMN C=C(Cl)CN[C@@H]1CCN(C(=O)[C@H]2CCCC2(C)C)C1 ZINC000969622700 613385152 /nfs/dbraw/zinc/38/51/52/613385152.db2.gz KVQVQMQLWRQRCP-CHWSQXEVSA-N 0 1 284.831 2.756 20 30 CFEDMN C=C(Cl)CN[C@@H]1CCN(C(=O)[C@H](C)c2ccsc2)C1 ZINC000969922619 613385216 /nfs/dbraw/zinc/38/52/16/613385216.db2.gz GOZKCCQPPHJUGR-DGCLKSJQSA-N 0 1 298.839 2.795 20 30 CFEDMN C=C(Cl)CN[C@@H]1CCN(C(=O)[C@]23C[C@H]2CCCC3)C1 ZINC000969877387 613385218 /nfs/dbraw/zinc/38/52/18/613385218.db2.gz QPXAKIQQCWCOTF-UMVBOHGHSA-N 0 1 282.815 2.510 20 30 CFEDMN C=C(Cl)CN[C@@H]1CCN(C(=O)c2cc(C)c(C)s2)C1 ZINC000970667930 613385626 /nfs/dbraw/zinc/38/56/26/613385626.db2.gz NWXCQASJGOTAJY-GFCCVEGCSA-N 0 1 298.839 2.922 20 30 CFEDMN C=C(Cl)CN[C@@H]1CCN(C(=O)c2ccoc2C(C)C)C1 ZINC000970833074 613385758 /nfs/dbraw/zinc/38/57/58/613385758.db2.gz KJTBBKAKJLMQCJ-GFCCVEGCSA-N 0 1 296.798 2.960 20 30 CFEDMN C=C(Cl)CN[C@@H]1CCN(C(=O)c2cccc(F)c2C)C1 ZINC000968755685 613385938 /nfs/dbraw/zinc/38/59/38/613385938.db2.gz YLFYZAGOJHHHNA-GFCCVEGCSA-N 0 1 296.773 2.691 20 30 CFEDMN C=C(Cl)CN[C@@H]1CN(C(=O)C2(C)CC(=C)C2)C[C@@H]1C ZINC000939101750 613386225 /nfs/dbraw/zinc/38/62/25/613386225.db2.gz AMWIUHJWNWTWGT-WCQYABFASA-N 0 1 282.815 2.532 20 30 CFEDMN C=C(Cl)CN[C@@H]1CN(C(=O)C2CCC(=C)CC2)C[C@H]1C ZINC000939049438 613386311 /nfs/dbraw/zinc/38/63/11/613386311.db2.gz LHGHDPSDOGSDIB-IUODEOHRSA-N 0 1 296.842 2.922 20 30 CFEDMN C=C(Cl)CN[C@H]1CN(C(=O)C2(C)CC=CC2)C[C@@H]1C ZINC000939067404 613386802 /nfs/dbraw/zinc/38/68/02/613386802.db2.gz FZXGHBKVWWPQRX-AAEUAGOBSA-N 0 1 282.815 2.532 20 30 CFEDMN C=C1CCC(C(=O)N[C@H]2CCN(CCF)C[C@@H]2C)CC1 ZINC000942600173 613412863 /nfs/dbraw/zinc/41/28/63/613412863.db2.gz LWNMNSPOHLXYOR-ZFWWWQNUSA-N 0 1 282.403 2.529 20 30 CFEDMN C=C[C@H](C(=O)N1CCN(CC2CC2)CC1)c1ccccc1 ZINC000957744581 613481557 /nfs/dbraw/zinc/48/15/57/613481557.db2.gz WZYIOSMQFKIMJW-KRWDZBQOSA-N 0 1 284.403 2.510 20 30 CFEDMN C=CCCN1CCN(C(=O)[C@@]2(C)C[C@@H]2c2ccccc2)CC1 ZINC000951627991 613506688 /nfs/dbraw/zinc/50/66/88/613506688.db2.gz DXRSZONDXOSBAL-MJGOQNOKSA-N 0 1 298.430 2.901 20 30 CFEDMN C=CCCN1CCN(C(=O)[C@@]2(C)CCC[C@@H]2C)CC1 ZINC000950095336 613506803 /nfs/dbraw/zinc/50/68/03/613506803.db2.gz NQNUNSYQYUFUGI-HOCLYGCPSA-N 0 1 264.413 2.533 20 30 CFEDMN C=CCCN1CCN(C(=O)[C@H](C)C2CCCC2)CC1 ZINC000957284462 613507353 /nfs/dbraw/zinc/50/73/53/613507353.db2.gz UEGRXJQDPIWKEK-CQSZACIVSA-N 0 1 264.413 2.533 20 30 CFEDMN C=CCCN1CCN(C(=O)[C@H](c2ccccc2)C2CC2)CC1 ZINC000949284413 613507451 /nfs/dbraw/zinc/50/74/51/613507451.db2.gz WXEJRELJBIKGCD-GOSISDBHSA-N 0 1 298.430 2.901 20 30 CFEDMN C=CCCN1CCN(C(=O)[C@H](C)c2ccccc2)CC1 ZINC000957393494 613507713 /nfs/dbraw/zinc/50/77/13/613507713.db2.gz LAHDGISKVLSCRH-OAHLLOKOSA-N 0 1 272.392 2.510 20 30 CFEDMN C=CCCN1CCN(C(=O)[C@H](C)c2ccc(C)cc2)CC1 ZINC000957371080 613507939 /nfs/dbraw/zinc/50/79/39/613507939.db2.gz ZAQOTIVJUNQDBH-MRXNPFEDSA-N 0 1 286.419 2.819 20 30 CFEDMN C=CCCN1CCN(C(=O)[C@]2(C)CCc3ccccc32)CC1 ZINC000957860796 613509191 /nfs/dbraw/zinc/50/91/91/613509191.db2.gz FKJJYSNJBNHYFA-LJQANCHMSA-N 0 1 298.430 2.611 20 30 CFEDMN C=CCCN1CCN(C(=O)c2ccccc2CCC)CC1 ZINC000949217328 613510622 /nfs/dbraw/zinc/51/06/22/613510622.db2.gz XEUBHPMXVRAUDR-UHFFFAOYSA-N 0 1 286.419 2.973 20 30 CFEDMN C=CCCN1CCN(C(=O)c2cccc3c2CCC3)CC1 ZINC000957870758 613511097 /nfs/dbraw/zinc/51/10/97/613511097.db2.gz QEKJBNWYVGGGRO-UHFFFAOYSA-N 0 1 284.403 2.509 20 30 CFEDMN C=Cc1ccc(C(=O)N[C@H]2CN(CC#CC)CC[C@@H]2C)cc1 ZINC000968346034 613515550 /nfs/dbraw/zinc/51/55/50/613515550.db2.gz RECIVDBZLGBZGS-YJBOKZPZSA-N 0 1 296.414 2.793 20 30 CFEDMN CC#CCN1CC([C@H](C)NC(=O)[C@H]2CCCC(C)(C)C2)C1 ZINC000970939395 613536861 /nfs/dbraw/zinc/53/68/61/613536861.db2.gz WCFORKVUNVAMLN-GJZGRUSLSA-N 0 1 290.451 2.663 20 30 CFEDMN CC#CCN1CCCCC[C@@H]1CNC(=O)c1cccs1 ZINC000968738610 613544888 /nfs/dbraw/zinc/54/48/88/613544888.db2.gz WOGKGGQDNNKVMD-CQSZACIVSA-N 0 1 290.432 2.746 20 30 CFEDMN CC#CCN1CCCCC[C@@H]1CNC(=O)c1occc1C ZINC000968750554 613545752 /nfs/dbraw/zinc/54/57/52/613545752.db2.gz PUSZFSAHHRWYHA-OAHLLOKOSA-N 0 1 288.391 2.586 20 30 CFEDMN CC#CCN1CC[C@H](C)[C@@H](NC(=O)C2(C)CCCCC2)C1 ZINC000968191571 613590960 /nfs/dbraw/zinc/59/09/60/613590960.db2.gz OACAQWAMYAVKPO-HOTGVXAUSA-N 0 1 290.451 2.807 20 30 CFEDMN CC#CCN1CC[C@H](C)[C@@H](NC(=O)C2=CCCCCC2)C1 ZINC000965945858 613590965 /nfs/dbraw/zinc/59/09/65/613590965.db2.gz CIWVMLSJMYPWBH-RDJZCZTQSA-N 0 1 288.435 2.727 20 30 CFEDMN CC#CCN1CC[C@H](C)[C@@H](NC(=O)c2ccc(CC)cc2)C1 ZINC000968606305 613591757 /nfs/dbraw/zinc/59/17/57/613591757.db2.gz GQYWLBHANYYQCQ-YJBOKZPZSA-N 0 1 298.430 2.713 20 30 CFEDMN CC#CCN1CC[C@H](C)[C@H](NC(=O)C(C)(C)C2CCC2)C1 ZINC000967492528 613593253 /nfs/dbraw/zinc/59/32/53/613593253.db2.gz CMCUCAFAAZIIQY-GOEBONIOSA-N 0 1 290.451 2.663 20 30 CFEDMN CC#CCN1CC[C@H](C)[C@H](NC(=O)c2cc(C)cc(C)c2)C1 ZINC000968588595 613593520 /nfs/dbraw/zinc/59/35/20/613593520.db2.gz MMONCHBBCTVKCC-FUHWJXTLSA-N 0 1 298.430 2.767 20 30 CFEDMN CC#CCN1CC[C@H](C)[C@H](NC(=O)c2cccc(C)c2C)C1 ZINC000968607389 613594785 /nfs/dbraw/zinc/59/47/85/613594785.db2.gz SQFPNBXILVIGOM-MAUKXSAKSA-N 0 1 298.430 2.767 20 30 CFEDMN CC#CCN1C[C@H](NC(=O)C2CCC=CCC2)C(C)(C)C1 ZINC000977616619 613620093 /nfs/dbraw/zinc/62/00/93/613620093.db2.gz FPWFGOAXWKNWIT-INIZCTEOSA-N 0 1 288.435 2.583 20 30 CFEDMN C=CCN1CC([C@@H](C)NC(=O)[C@H]2CC[C@H](CC)CC2)C1 ZINC000970770930 613662101 /nfs/dbraw/zinc/66/21/01/613662101.db2.gz HUBFKFLLXUFJKO-RBSFLKMASA-N 0 1 278.440 2.825 20 30 CFEDMN C=CCN1CC([C@@H](C)NC(=O)C2CCCCCCC2)C1 ZINC000970120378 613662142 /nfs/dbraw/zinc/66/21/42/613662142.db2.gz LZYXMFDRCNEIMO-CQSZACIVSA-N 0 1 278.440 2.969 20 30 CFEDMN C=CCN1CC([C@@H](C)NC(=O)c2cc[nH]c2C2CCC2)C1 ZINC000970420271 613664594 /nfs/dbraw/zinc/66/45/94/613664594.db2.gz NOALZFYWWKRVTM-GFCCVEGCSA-N 0 1 287.407 2.518 20 30 CFEDMN C=CCN1CC([C@@H](C)NC(=O)c2cc(F)ccc2CC)C1 ZINC000970049642 613664682 /nfs/dbraw/zinc/66/46/82/613664682.db2.gz FXNLNIQLPKOQFS-GFCCVEGCSA-N 0 1 290.382 2.624 20 30 CFEDMN C=CCN1CC([C@@H](C)NC(=O)c2cccc3c2CCCC3)C1 ZINC000969736839 613665732 /nfs/dbraw/zinc/66/57/32/613665732.db2.gz FCFTYNJVEUKTSH-CQSZACIVSA-N 0 1 298.430 2.802 20 30 CFEDMN C=CCN1CC([C@@H](C)NC(=O)c2sc(C)cc2C)C1 ZINC000969752231 613668101 /nfs/dbraw/zinc/66/81/01/613668101.db2.gz CNIKJEBDKHNAKL-GFCCVEGCSA-N 0 1 278.421 2.601 20 30 CFEDMN C=CCN1CC([C@H](C)NC(=O)C23CC(C(C)(C)C)(C2)C3)C1 ZINC000970947976 613668283 /nfs/dbraw/zinc/66/82/83/613668283.db2.gz ODMOGJAGISAXON-TZYSRNFLSA-N 0 1 290.451 2.825 20 30 CFEDMN C=CCN1CC([C@H](C)NC(=O)c2c(F)cccc2Cl)C1 ZINC000970785126 613670782 /nfs/dbraw/zinc/67/07/82/613670782.db2.gz XJRNNUACZSDTFN-JTQLQIEISA-N 0 1 296.773 2.715 20 30 CFEDMN C=CCN1CC([C@H](C)NC(=O)c2cc(Cl)ccc2F)C1 ZINC000970095876 613671024 /nfs/dbraw/zinc/67/10/24/613671024.db2.gz LHWWPSBCJIODIK-JTQLQIEISA-N 0 1 296.773 2.715 20 30 CFEDMN C=CCN1CC([C@H](C)NC(=O)c2cccc(C3CC3)c2)C1 ZINC000970946699 613672016 /nfs/dbraw/zinc/67/20/16/613672016.db2.gz XYMJQODICFMOLA-ZDUSSCGKSA-N 0 1 284.403 2.800 20 30 CFEDMN C=CCN1CC([C@H](C)NC(=O)c2sc(C)cc2C)C1 ZINC000969752236 613674289 /nfs/dbraw/zinc/67/42/89/613674289.db2.gz CNIKJEBDKHNAKL-LBPRGKRZSA-N 0 1 278.421 2.601 20 30 CFEDMN C=CCN1CCCCC[C@H]1CNC(=O)c1cccs1 ZINC000968738592 613686873 /nfs/dbraw/zinc/68/68/73/613686873.db2.gz WDFKOJYLMRWPQI-ZDUSSCGKSA-N 0 1 278.421 2.909 20 30 CFEDMN C=CCN1CCCN(C(=O)Cc2cccc(CC)c2)CC1 ZINC000981473682 613689831 /nfs/dbraw/zinc/68/98/31/613689831.db2.gz ICFGWHFTZRFFHQ-UHFFFAOYSA-N 0 1 286.419 2.512 20 30 CFEDMN C=CCN1CCCN(C(=O)[C@@H]2CCC[C@@H]2CCC)CC1 ZINC000981501278 613691337 /nfs/dbraw/zinc/69/13/37/613691337.db2.gz NSRFHGIWINPHNF-JKSUJKDBSA-N 0 1 278.440 2.923 20 30 CFEDMN C=CCN1CCCN(C(=O)[C@H]2CCCC(F)(F)C2)CC1 ZINC000981941410 613693315 /nfs/dbraw/zinc/69/33/15/613693315.db2.gz OPCCJZCZCFTANA-ZDUSSCGKSA-N 0 1 286.366 2.532 20 30 CFEDMN C=CCN1CCCN(C(=O)[C@H](C)c2cc(C)oc2C)CC1 ZINC000982221538 613693517 /nfs/dbraw/zinc/69/35/17/613693517.db2.gz CEQRHSWYTREMBL-CQSZACIVSA-N 0 1 290.407 2.720 20 30 CFEDMN C=CCN1CCCN(C(=O)c2c(C)[nH]c3ccccc32)CC1 ZINC000981583139 613695816 /nfs/dbraw/zinc/69/58/16/613695816.db2.gz QTZSKINLEJEFDM-UHFFFAOYSA-N 0 1 297.402 2.810 20 30 CFEDMN C=CCN1CCCN(C(=O)c2cccc3c2ccn3C)CC1 ZINC000982226909 613698411 /nfs/dbraw/zinc/69/84/11/613698411.db2.gz DGZNJVKRYXPXFQ-UHFFFAOYSA-N 0 1 297.402 2.512 20 30 CFEDMN C=CCN1CC[C@@H](C)[C@@H](NC(=O)c2cc(C)cc(C)c2)C1 ZINC000968587657 613729296 /nfs/dbraw/zinc/72/92/96/613729296.db2.gz DLPVVSHTVCBQQD-WBVHZDCISA-N 0 1 286.419 2.930 20 30 CFEDMN C=CCN1CC[C@@H](C)[C@@H](NC(=O)c2cc[nH]c2C2CC2)C1 ZINC000968055239 613729622 /nfs/dbraw/zinc/72/96/22/613729622.db2.gz HWZCUBCYJCMACA-DOMZBBRYSA-N 0 1 287.407 2.518 20 30 CFEDMN C=CCN1CC[C@@H](C)[C@@H](NC(=O)c2oc(CC)cc2C)C1 ZINC000968549818 613731962 /nfs/dbraw/zinc/73/19/62/613731962.db2.gz YLYSUPVAEPXONK-DOMZBBRYSA-N 0 1 290.407 2.777 20 30 CFEDMN C=CCN1CC[C@@H](C)[C@H](NC(=O)C2(C)CCCCC2)C1 ZINC000968211752 613732275 /nfs/dbraw/zinc/73/22/75/613732275.db2.gz LHRBJDNQWUQLRC-HUUCEWRRSA-N 0 1 278.440 2.969 20 30 CFEDMN C=CCN1CC[C@@H](C)[C@H](NC(=O)c2cc(C)c(C)s2)C1 ZINC000968627023 613733751 /nfs/dbraw/zinc/73/37/51/613733751.db2.gz GHXDNIJFEFTXFM-BXUZGUMPSA-N 0 1 292.448 2.991 20 30 CFEDMN C=CCN1CC[C@@H](C)[C@H](NC(=O)c2cccc(C)c2F)C1 ZINC000966269767 613735045 /nfs/dbraw/zinc/73/50/45/613735045.db2.gz WIAGEAUUQOSLFO-IUODEOHRSA-N 0 1 290.382 2.760 20 30 CFEDMN C=CCN1CC[C@H](C)[C@@H](NC(=O)C(C)(C)C2CCC2)C1 ZINC000967501439 613766512 /nfs/dbraw/zinc/76/65/12/613766512.db2.gz UJODOAGKYMYBJH-ZFWWWQNUSA-N 0 1 278.440 2.825 20 30 CFEDMN C=CCN1CC[C@H](C)[C@@H](NC(=O)c2cc(C)ccc2F)C1 ZINC000968358182 613768704 /nfs/dbraw/zinc/76/87/04/613768704.db2.gz YYJPVMIPTKPROQ-BBRMVZONSA-N 0 1 290.382 2.760 20 30 CFEDMN C=CCN1CC[C@H](C)[C@@H](NC(=O)c2ccoc2CCC)C1 ZINC000968543382 613770367 /nfs/dbraw/zinc/77/03/67/613770367.db2.gz AXVNNCYUCRFWOI-ZFWWWQNUSA-N 0 1 290.407 2.858 20 30 CFEDMN C=CCN1CC[C@H](C)[C@H](NC(=O)c2ccccc2CC)C1 ZINC000968036095 613773768 /nfs/dbraw/zinc/77/37/68/613773768.db2.gz QJYHWPSGFMIBNB-WMLDXEAASA-N 0 1 286.419 2.875 20 30 CFEDMN C=CCN1CC[C@H](C)[C@H](NC(=O)c2cccnc2C2CC2)C1 ZINC000967227987 613774267 /nfs/dbraw/zinc/77/42/67/613774267.db2.gz GPDQNBLCWQVEOX-XJKSGUPXSA-N 0 1 299.418 2.585 20 30 CFEDMN C=CCN1C[C@@H](NC(=O)C2CCC(F)CC2)C(C)(C)C1 ZINC000974997901 613806189 /nfs/dbraw/zinc/80/61/89/613806189.db2.gz SFVNLWPSUVOYEE-JXQTWKCFSA-N 0 1 282.403 2.527 20 30 CFEDMN C=CCN1C[C@@H](NC(=O)c2ccc3[nH]ccc3c2)C(C)(C)C1 ZINC000974987872 613810750 /nfs/dbraw/zinc/81/07/50/613810750.db2.gz UVCDCPIMNXMPHD-MRXNPFEDSA-N 0 1 297.402 2.794 20 30 CFEDMN C=CCN1C[C@@H](NC(=O)c2ccc3c(c2)CCC3)C(C)(C)C1 ZINC000977573527 613811024 /nfs/dbraw/zinc/81/10/24/613811024.db2.gz LMAGPNGMMMDHCU-QGZVFWFLSA-N 0 1 298.430 2.802 20 30 CFEDMN C=CCN1C[C@@H](NC(=O)c2sccc2C)C(C)(C)C1 ZINC000972758481 613812408 /nfs/dbraw/zinc/81/24/08/613812408.db2.gz RIZOAZDRXGAGHY-GFCCVEGCSA-N 0 1 278.421 2.683 20 30 CFEDMN C=CCN1C[C@H](NC(=O)C2(C3CCC3)CCC2)C(C)(C)C1 ZINC000974890974 613826623 /nfs/dbraw/zinc/82/66/23/613826623.db2.gz CHNZEHJWCNVLMU-HNNXBMFYSA-N 0 1 290.451 2.969 20 30 CFEDMN C=CCN1C[C@H](NC(=O)[C@H]2CCCC2(C)C)C(C)(C)C1 ZINC000974934492 613827761 /nfs/dbraw/zinc/82/77/61/613827761.db2.gz IIRUVTOHBKNTEV-KGLIPLIRSA-N 0 1 278.440 2.825 20 30 CFEDMN C=CCN1C[C@H](NC(=O)[C@H]2CCC(C)(C)C2)C(C)(C)C1 ZINC000975033317 613828055 /nfs/dbraw/zinc/82/80/55/613828055.db2.gz DJAWJOSAWHHBRC-KBPBESRZSA-N 0 1 278.440 2.825 20 30 CFEDMN C=CCN1C[C@H](NC(=O)c2cc(C)c(C)o2)C(C)(C)C1 ZINC000973038605 613828352 /nfs/dbraw/zinc/82/83/52/613828352.db2.gz PNEOSVBYZMVDIL-AWEZNQCLSA-N 0 1 276.380 2.523 20 30 CFEDMN C=CCN1C[C@H](NC(=O)c2ccc(F)cc2F)C(C)(C)C1 ZINC000977554977 613828802 /nfs/dbraw/zinc/82/88/02/613828802.db2.gz UIYKTLUDKSIPEU-AWEZNQCLSA-N 0 1 294.345 2.591 20 30 CFEDMN C=CCN1C[C@H](NC(=O)c2ccc3c(c2)CCC3)C(C)(C)C1 ZINC000977573523 613829413 /nfs/dbraw/zinc/82/94/13/613829413.db2.gz LMAGPNGMMMDHCU-KRWDZBQOSA-N 0 1 298.430 2.802 20 30 CFEDMN C=CCN(Cc1ccc(O)c(OC)c1[N+](=O)[O-])C(C)C ZINC000891674243 617704440 /nfs/dbraw/zinc/70/44/40/617704440.db2.gz GLMFMKIDIHVHRV-UHFFFAOYSA-N 0 1 280.324 2.705 20 30 CFEDMN FC(F)(F)CCN1CCC(=NOC2CCC2)CC1 ZINC000812236632 617748409 /nfs/dbraw/zinc/74/84/09/617748409.db2.gz PBPCWMUXLAJVHY-UHFFFAOYSA-N 0 1 264.291 2.960 20 30 CFEDMN C=CC[C@H]1CCN1[C@@H]1CCc2ccccc2NC1=O ZINC000934462994 618041898 /nfs/dbraw/zinc/04/18/98/618041898.db2.gz VPNMQOYFVZOEJU-DZGCQCFKSA-N 0 1 256.349 2.590 20 30 CFEDMN C=CC[C@H]1CCN1Cc1cc(C(=O)OC)ccc1OC ZINC000934462974 618042065 /nfs/dbraw/zinc/04/20/65/618042065.db2.gz SLVVTRRMHOIRGN-AWEZNQCLSA-N 0 1 275.348 2.632 20 30 CFEDMN C=CC[C@@H]1CCN1C(=O)c1ccc(O)c(Cl)c1 ZINC000890562240 617654745 /nfs/dbraw/zinc/65/47/45/617654745.db2.gz USZNCVTXAJMPNM-SNVBAGLBSA-N 0 1 251.713 2.836 20 30 CFEDMN C=CC[C@H]1CCN1C(=O)c1cc(-c2cccs2)[nH]n1 ZINC000890563602 617655894 /nfs/dbraw/zinc/65/58/94/617655894.db2.gz YNRRNGFPGXFZPN-JTQLQIEISA-N 0 1 273.361 2.929 20 30 CFEDMN Cc1ncc(/C=C\C(=O)Nc2cc(C#N)ccc2O)s1 ZINC000254942423 617693054 /nfs/dbraw/zinc/69/30/54/617693054.db2.gz OABSLORJYODIKP-HYXAFXHYSA-N 0 1 285.328 2.681 20 30 CFEDMN Cc1nn(-c2ccncc2)cc1C=NOC/C=C/Cl ZINC000811667862 617696929 /nfs/dbraw/zinc/69/69/29/617696929.db2.gz FPRVSHLSEHAEHQ-RNXBRRGWSA-N 0 1 276.727 2.679 20 30 CFEDMN C=CCN(CCc1ccccc1)Cc1cnc2n1CCOC2 ZINC000891806396 617763629 /nfs/dbraw/zinc/76/36/29/617763629.db2.gz AGZZWUAAMZALHD-UHFFFAOYSA-N 0 1 297.402 2.644 20 30 CFEDMN C=C1CCN(Cc2ccc(OC)c(OC)c2O)CC1 ZINC000891942034 617839885 /nfs/dbraw/zinc/83/98/85/617839885.db2.gz ACFPNULZSRFIJT-UHFFFAOYSA-N 0 1 263.337 2.561 20 30 CFEDMN CO[C@H]1CC[C@H]1N(C)CC#Cc1ccccc1Cl ZINC000934105356 617902117 /nfs/dbraw/zinc/90/21/17/617902117.db2.gz NXISCSBKQLRTCZ-CABCVRRESA-N 0 1 263.768 2.801 20 30 CFEDMN C=CCCCN(CC)C(=O)[C@@H]1c2cn[nH]c2CC[C@@H]1C ZINC000890809905 617908605 /nfs/dbraw/zinc/90/86/05/617908605.db2.gz HBOLHJBJXLRJIH-WFASDCNBSA-N 0 1 275.396 2.890 20 30 CFEDMN C=CCCCN(CC)C(=O)c1cc(-c2ccn(C)c2)[nH]n1 ZINC000890812475 617910399 /nfs/dbraw/zinc/91/03/99/617910399.db2.gz KZBXWEDBZOQYJY-UHFFFAOYSA-N 0 1 286.379 2.844 20 30 CFEDMN C=CCCCN(CC)C(=O)c1cccc2n[nH]cc21 ZINC000890815139 617912086 /nfs/dbraw/zinc/91/20/86/617912086.db2.gz XHEAVMPAHQGFKW-UHFFFAOYSA-N 0 1 257.337 2.991 20 30 CFEDMN C=C[C@](C)(CC)C(=O)NOCCOc1ccccc1 ZINC000889446667 617974980 /nfs/dbraw/zinc/97/49/80/617974980.db2.gz PNGNETYYEFLCNL-OAHLLOKOSA-N 0 1 263.337 2.716 20 30 CFEDMN Cc1nc([C@H](C)OC(=O)C[C@H](CC#N)c2ccccc2)n[nH]1 ZINC000840540164 618027229 /nfs/dbraw/zinc/02/72/29/618027229.db2.gz QIESHFKGTLKGSQ-FZMZJTMJSA-N 0 1 298.346 2.805 20 30 CFEDMN Cn1cc(C=NNc2cccc(Cl)n2)c(C2CC2)n1 ZINC000901246208 620770867 /nfs/dbraw/zinc/77/08/67/620770867.db2.gz VSYSIHDJVJXTSZ-UHFFFAOYSA-N 0 1 275.743 2.792 20 30 CFEDMN C#CC[N@H+]1CC[C@H]2[C@@H](CCCN2C(=O)CC2CCCC2)C1 ZINC001021509173 618035628 /nfs/dbraw/zinc/03/56/28/618035628.db2.gz PIDHWUWMADKMMQ-IRXDYDNUSA-N 0 1 288.435 2.513 20 30 CFEDMN C=CC[C@@H]1CCN1Cc1cc(-c2cnn(C)c2C)no1 ZINC000934459503 618039572 /nfs/dbraw/zinc/03/95/72/618039572.db2.gz CWMKMTZCMRJABV-GFCCVEGCSA-N 0 1 272.352 2.534 20 30 CFEDMN C=CC[C@@H]1CC[N@@H+]1C[C@@H](O)c1c(F)cccc1F ZINC000934472061 618046883 /nfs/dbraw/zinc/04/68/83/618046883.db2.gz YKBONDSOVSMCMZ-ZWNOBZJWSA-N 0 1 253.292 2.649 20 30 CFEDMN C=CC[C@@H]1CCN1C[C@@H](O)c1c(F)cccc1F ZINC000934472061 618046887 /nfs/dbraw/zinc/04/68/87/618046887.db2.gz YKBONDSOVSMCMZ-ZWNOBZJWSA-N 0 1 253.292 2.649 20 30 CFEDMN C=CC[C@@H]1CCN1CC(=O)N1CCC[C@H]2CCCC[C@H]21 ZINC000934471634 618046943 /nfs/dbraw/zinc/04/69/43/618046943.db2.gz MMOBSKAQXRGIOO-BZUAXINKSA-N 0 1 276.424 2.818 20 30 CFEDMN Cc1nc(Br)c(C=NNC2CCCCC2)[nH]1 ZINC000901227860 620774437 /nfs/dbraw/zinc/77/44/37/620774437.db2.gz QYJJDXBJRVLUJA-UHFFFAOYSA-N 0 1 285.189 2.737 20 30 CFEDMN CCn1nccc1/C=C\C(=O)c1ccc(O)c(F)c1 ZINC000255194335 618076626 /nfs/dbraw/zinc/07/66/26/618076626.db2.gz DLGOXROPSBOMTK-XQRVVYSFSA-N 0 1 260.268 2.644 20 30 CFEDMN CC(C)(C)CCC(=O)C(C#N)C(=O)NC1CCCC1 ZINC000121835690 618080368 /nfs/dbraw/zinc/08/03/68/618080368.db2.gz JRFFTJYWTFEVHE-LBPRGKRZSA-N 0 1 264.369 2.580 20 30 CFEDMN C#Cc1ccc(NC(=O)CN(C)CC(C)(C)C)cc1 ZINC000891312907 618119984 /nfs/dbraw/zinc/11/99/84/618119984.db2.gz CXKGXYSIUKAIOM-UHFFFAOYSA-N 0 1 258.365 2.584 20 30 CFEDMN Cc1cccc(N=NCc2cnn(CC3CCC3)c2)n1 ZINC000901267977 620778756 /nfs/dbraw/zinc/77/87/56/620778756.db2.gz QDZRFVNIGTZMLQ-UHFFFAOYSA-N 0 1 269.352 2.833 20 30 CFEDMN Cc1cc(C)cc(C2CCN(CC(=O)NCCC#N)CC2)c1 ZINC000934800396 618133912 /nfs/dbraw/zinc/13/39/12/618133912.db2.gz LRNRGZLPNZNXMX-UHFFFAOYSA-N 0 1 299.418 2.513 20 30 CFEDMN CC(=O)[C@@H](C)CCCCC(=O)Nc1cc(C#N)ccc1O ZINC000155694450 618135440 /nfs/dbraw/zinc/13/54/40/618135440.db2.gz LUFDDZIJUNAICJ-NSHDSACASA-N 0 1 288.347 2.988 20 30 CFEDMN C=CC[C@H](C)NC(=O)c1ccc(CN2CCCCC2)o1 ZINC000933038393 618144588 /nfs/dbraw/zinc/14/45/88/618144588.db2.gz JKYKQINDWLQINZ-ZDUSSCGKSA-N 0 1 276.380 2.960 20 30 CFEDMN C[C@@H](N[C@H](CCCC#N)c1ccccc1)c1cnnn1C ZINC000926478995 618151549 /nfs/dbraw/zinc/15/15/49/618151549.db2.gz GQHUXCNCNMEABR-UKRRQHHQSA-N 0 1 283.379 2.901 20 30 CFEDMN C#CCN(CC(=O)N(C)C1CCCCC1)C1CCCC1 ZINC000155913680 618153342 /nfs/dbraw/zinc/15/33/42/618153342.db2.gz MAZYRQLJYVNQJW-UHFFFAOYSA-N 0 1 276.424 2.655 20 30 CFEDMN C[C@@H]1C[C@@H](NN=Cc2cccc(Cl)c2O)C[C@H](C)O1 ZINC000901310383 620782443 /nfs/dbraw/zinc/78/24/43/620782443.db2.gz KEZHAJCGDIKFDC-PEGIJTEDSA-N 0 1 282.771 2.925 20 30 CFEDMN CCn1cnc2c1CCN(CCCC(C)(C)C#N)C2 ZINC000933261411 618178410 /nfs/dbraw/zinc/17/84/10/618178410.db2.gz SCMIOULDFPXDGB-UHFFFAOYSA-N 0 1 260.385 2.591 20 30 CFEDMN CCO[C@@H]1CCCN(Cc2csc(C#N)c2)C1 ZINC000891400353 618186395 /nfs/dbraw/zinc/18/63/95/618186395.db2.gz APOXKAUEEKJUFV-GFCCVEGCSA-N 0 1 250.367 2.621 20 30 CFEDMN C=CCCCN1CCO[C@H]([C@H](C)NC(=O)OC(C)(C)C)C1 ZINC000158810863 618197616 /nfs/dbraw/zinc/19/76/16/618197616.db2.gz KNVYXCUUQZLNGG-KBPBESRZSA-N 0 1 298.427 2.567 20 30 CFEDMN CC(C)CCO[C@H](C)C(=O)Nc1cc(C#N)ccc1O ZINC000176818140 618205279 /nfs/dbraw/zinc/20/52/79/618205279.db2.gz UHIVQIPLOCOQPV-LLVKDONJSA-N 0 1 276.336 2.654 20 30 CFEDMN COc1ccc(C#N)cc1CNC1([C@H]2CCCCO2)CC1 ZINC000933376482 618215150 /nfs/dbraw/zinc/21/51/50/618215150.db2.gz ZQKMARSJAMLVQK-MRXNPFEDSA-N 0 1 286.375 2.758 20 30 CFEDMN N#CCOc1ccc(CNCc2ccc(C#N)s2)cc1 ZINC000176964510 618248076 /nfs/dbraw/zinc/24/80/76/618248076.db2.gz SHCFXWADLLVBLE-UHFFFAOYSA-N 0 1 283.356 2.812 20 30 CFEDMN C#CCN(C)CCOc1ccccc1C(=O)OC(C)(C)C ZINC000192221550 618281828 /nfs/dbraw/zinc/28/18/28/618281828.db2.gz CUDMKCOMAPSUPH-UHFFFAOYSA-N 0 1 289.375 2.586 20 30 CFEDMN C=CCN1CCCC[C@H]1CNC(=O)c1cccc(C)c1 ZINC001024312329 618292204 /nfs/dbraw/zinc/29/22/04/618292204.db2.gz HPWSHMZWMIRBQN-INIZCTEOSA-N 0 1 272.392 2.765 20 30 CFEDMN C=C(C)CN1CCC[C@@H](NC(=O)c2ccc(F)c(C)c2)C1 ZINC001008342937 618296698 /nfs/dbraw/zinc/29/66/98/618296698.db2.gz YWAOEGYYRARJSI-OAHLLOKOSA-N 0 1 290.382 2.904 20 30 CFEDMN N#CC(C(=O)[C@@H]1CCC(F)(F)C1)c1ccccn1 ZINC000310392053 618304220 /nfs/dbraw/zinc/30/42/20/618304220.db2.gz DWJUGSLZAWPWMY-ZJUUUORDSA-N 0 1 250.248 2.693 20 30 CFEDMN C=CC[N@@H+]1CCCC[C@H]1CNC(=O)c1ccoc1CC ZINC001024415030 618308988 /nfs/dbraw/zinc/30/89/88/618308988.db2.gz NIKZQOKSIJFQII-ZDUSSCGKSA-N 0 1 276.380 2.612 20 30 CFEDMN C=CCN1CCCC[C@H]1CNC(=O)c1ccoc1CC ZINC001024415030 618308998 /nfs/dbraw/zinc/30/89/98/618308998.db2.gz NIKZQOKSIJFQII-ZDUSSCGKSA-N 0 1 276.380 2.612 20 30 CFEDMN COC(=O)C[C@@H](NCc1ccc(Cl)cc1C#N)C1CC1 ZINC000775666306 618320283 /nfs/dbraw/zinc/32/02/83/618320283.db2.gz DLVHCNUAEKBCSE-CQSZACIVSA-N 0 1 292.766 2.643 20 30 CFEDMN C#CCCOC(=O)c1[nH]c(-c2ccccc2)nc1C ZINC000727042055 618327009 /nfs/dbraw/zinc/32/70/09/618327009.db2.gz NQYSDOYPOZGDGH-UHFFFAOYSA-N 0 1 254.289 2.565 20 30 CFEDMN Cn1ncc(CN[C@H]2CCc3cc(C#N)ccc32)c1C1CC1 ZINC000894101532 618333754 /nfs/dbraw/zinc/33/37/54/618333754.db2.gz ICKFPFCEQOQPSQ-KRWDZBQOSA-N 0 1 292.386 2.946 20 30 CFEDMN COc1ccc(CN[C@H]2CCc3cc(C#N)ccc32)o1 ZINC000894103388 618336499 /nfs/dbraw/zinc/33/64/99/618336499.db2.gz TWLIEPQDRMZTNN-HNNXBMFYSA-N 0 1 268.316 2.937 20 30 CFEDMN C=CC[N@H+](CCCOc1ccc(C)c(C)c1)CC(=O)[O-] ZINC000092466544 618344991 /nfs/dbraw/zinc/34/49/91/618344991.db2.gz OGYUEFQHXIXSMK-UHFFFAOYSA-N 0 1 277.364 2.645 20 30 CFEDMN N#Cc1ccc(O)c(NC(=O)c2cc(-c3ccco3)on2)c1 ZINC000179731810 618345307 /nfs/dbraw/zinc/34/53/07/618345307.db2.gz VIXQWZYHNPKKQS-UHFFFAOYSA-N 0 1 295.254 2.764 20 30 CFEDMN C=CC[N@H+]1CCCC[C@H]1CNC(=O)c1cccnc1C1CC1 ZINC001024530024 618346081 /nfs/dbraw/zinc/34/60/81/618346081.db2.gz BOIHLGDNAUQWCA-HNNXBMFYSA-N 0 1 299.418 2.729 20 30 CFEDMN C=CCN1CCCC[C@H]1CNC(=O)c1cccnc1C1CC1 ZINC001024530024 618346088 /nfs/dbraw/zinc/34/60/88/618346088.db2.gz BOIHLGDNAUQWCA-HNNXBMFYSA-N 0 1 299.418 2.729 20 30 CFEDMN CO[C@@]1(C)CCCN(Cc2csc(C#N)c2)C1 ZINC000894136425 618380850 /nfs/dbraw/zinc/38/08/50/618380850.db2.gz KUXLBGXHOWZQMJ-ZDUSSCGKSA-N 0 1 250.367 2.621 20 30 CFEDMN CC(C)NC(=O)[C@H](C#N)C(=O)CC(C)(C)CC(F)(F)F ZINC000892501109 618401302 /nfs/dbraw/zinc/40/13/02/618401302.db2.gz JUTOQYQXBBODQB-SECBINFHSA-N 0 1 292.301 2.589 20 30 CFEDMN C=CCCSCCN[C@H](C)c1nn(CC)nc1C ZINC000926686643 618423466 /nfs/dbraw/zinc/42/34/66/618423466.db2.gz WZCNJZIFCSMFTI-LLVKDONJSA-N 0 1 268.430 2.566 20 30 CFEDMN CC#CCN1CCCC[C@H]1CNC(=O)c1ccccc1CC ZINC001024620125 618423820 /nfs/dbraw/zinc/42/38/20/618423820.db2.gz NWBXVDPKSXQUOD-KRWDZBQOSA-N 0 1 298.430 2.857 20 30 CFEDMN C=CCN1CCCC[C@H]1CNC(=O)C1CCC(F)CC1 ZINC001024638861 618427982 /nfs/dbraw/zinc/42/79/82/618427982.db2.gz ZZGZNOZQHLPAAR-NRXISQOPSA-N 0 1 282.403 2.671 20 30 CFEDMN C#CCCN1CCCC[C@@H]1CNC(=O)c1occc1Cl ZINC001024636736 618428891 /nfs/dbraw/zinc/42/88/91/618428891.db2.gz WWCGTQAVRXSPAO-GFCCVEGCSA-N 0 1 294.782 2.541 20 30 CFEDMN CC#CCN1CCCC[C@H]1CNC(=O)[C@@H]1CCC(C)(C)C1 ZINC001024641900 618430762 /nfs/dbraw/zinc/43/07/62/618430762.db2.gz OGQDFDWUNGXWQS-CVEARBPZSA-N 0 1 290.451 2.807 20 30 CFEDMN CSCCON=Cc1ccccc1N1CCO[C@@H](C)C1 ZINC000794573885 618431455 /nfs/dbraw/zinc/43/14/55/618431455.db2.gz OGUOPJZVYUWGHM-ZDUSSCGKSA-N 0 1 294.420 2.625 20 30 CFEDMN C=CC[N@H+]1CCCC[C@H]1CNC(=O)c1cccc2cc[nH]c21 ZINC001024664255 618436987 /nfs/dbraw/zinc/43/69/87/618436987.db2.gz PXZAJGPRKGGGBN-HNNXBMFYSA-N 0 1 297.402 2.938 20 30 CFEDMN C=CCN1CCCC[C@H]1CNC(=O)C1Cc2ccccc2C1 ZINC001024675432 618438425 /nfs/dbraw/zinc/43/84/25/618438425.db2.gz LNMYCKFMGPOPKU-SFHVURJKSA-N 0 1 298.430 2.558 20 30 CFEDMN C=CCN1CCCC[C@@H]1CNC(=O)C1Cc2ccccc2C1 ZINC001024675428 618438554 /nfs/dbraw/zinc/43/85/54/618438554.db2.gz LNMYCKFMGPOPKU-GOSISDBHSA-N 0 1 298.430 2.558 20 30 CFEDMN C=CCN1CCCC[C@H]1CNC(=O)c1ccncc1Cl ZINC001024678454 618439134 /nfs/dbraw/zinc/43/91/34/618439134.db2.gz PTSHGMLKOACPMJ-LBPRGKRZSA-N 0 1 293.798 2.505 20 30 CFEDMN C=CCN1CCCC[C@H]1CNC(=O)[C@@H]1C[C@H]1C1CCC1 ZINC001024701879 618448718 /nfs/dbraw/zinc/44/87/18/618448718.db2.gz VQZLPCCYVXGSCD-HRCADAONSA-N 0 1 276.424 2.579 20 30 CFEDMN C=CCNC(=O)C(C#N)C(=O)C[C@@H](C)C1CCCCC1 ZINC000726321724 618462976 /nfs/dbraw/zinc/46/29/76/618462976.db2.gz ORPSOLBFYMCEJU-OCCSQVGLSA-N 0 1 276.380 2.604 20 30 CFEDMN C=CCNC(=O)C(C#N)C(=O)C[C@H](C)C1CCCCC1 ZINC000726321723 618463087 /nfs/dbraw/zinc/46/30/87/618463087.db2.gz ORPSOLBFYMCEJU-JSGCOSHPSA-N 0 1 276.380 2.604 20 30 CFEDMN CC#CCN1CCCC[C@H]1CNC(=O)c1ccc(C)cc1 ZINC001024774122 618467153 /nfs/dbraw/zinc/46/71/53/618467153.db2.gz NONYLZWHPOTXKR-KRWDZBQOSA-N 0 1 284.403 2.603 20 30 CFEDMN COc1c(O)cccc1CN=Nc1ccc(C)cn1 ZINC000727260228 618475878 /nfs/dbraw/zinc/47/58/78/618475878.db2.gz SYGRKYQISYTJCV-UHFFFAOYSA-N 0 1 257.293 2.550 20 30 CFEDMN COc1cc(CN=Nc2ccc(C)cn2)cc(OC)c1 ZINC000727260580 618476673 /nfs/dbraw/zinc/47/66/73/618476673.db2.gz ZMXXGFRZBWGYPL-UHFFFAOYSA-N 0 1 271.320 2.853 20 30 CFEDMN C#C[C@H](NCc1ccc(SC)o1)C1CCOCC1 ZINC000895332105 618535641 /nfs/dbraw/zinc/53/56/41/618535641.db2.gz FJIGOLDWFVWPSR-ZDUSSCGKSA-N 0 1 265.378 2.520 20 30 CFEDMN C#CC1(O)CCN([C@@H](C)c2ccc(Cl)cc2)CC1 ZINC000895384629 618561244 /nfs/dbraw/zinc/56/12/44/618561244.db2.gz QNTCWQOWKXLNDR-LBPRGKRZSA-N 0 1 263.768 2.861 20 30 CFEDMN CCCOCC(=O)C(C#N)c1nc(C(C)C)cs1 ZINC000177760239 618605292 /nfs/dbraw/zinc/60/52/92/618605292.db2.gz BUJKOALZDUICPI-JTQLQIEISA-N 0 1 266.366 2.869 20 30 CFEDMN CCCCCCCCCC(=O)NCc1nnc[nH]1 ZINC000103064320 618687308 /nfs/dbraw/zinc/68/73/08/618687308.db2.gz NDSBJEUWYVRRIR-UHFFFAOYSA-N 0 1 252.362 2.562 20 30 CFEDMN Cc1ncc2c(n1)CCC[C@H]2NCC#Cc1ccccc1 ZINC000892949210 618779320 /nfs/dbraw/zinc/77/93/20/618779320.db2.gz NPBXXSWGEMGISW-QGZVFWFLSA-N 0 1 277.371 2.804 20 30 CFEDMN CC(C)[C@@H](F)C(=O)C(C#N)C(=O)Nc1ccc(Cl)cc1 ZINC000784490509 618779384 /nfs/dbraw/zinc/77/93/84/618779384.db2.gz GAROTXKQDSZISB-NWDGAFQWSA-N 0 1 296.729 2.981 20 30 CFEDMN C=C1CCC(C(=O)Nc2[nH]c(C)nc2C(=O)OCC)CC1 ZINC000893238896 618899542 /nfs/dbraw/zinc/89/95/42/618899542.db2.gz BJNQGPVCRIFISU-UHFFFAOYSA-N 0 1 291.351 2.580 20 30 CFEDMN Cc1csc([C@H](C#N)C(=O)C=CC2CCOCC2)n1 ZINC000112222384 625321898 /nfs/dbraw/zinc/32/18/98/625321898.db2.gz HCGZLDJMPPAFPK-QAVQXKDTSA-N 0 1 276.361 2.611 20 30 CFEDMN Cc1csc(C(C#N)C(=O)C=CC2CCOCC2)n1 ZINC000112222384 625321910 /nfs/dbraw/zinc/32/19/10/625321910.db2.gz HCGZLDJMPPAFPK-QAVQXKDTSA-N 0 1 276.361 2.611 20 30 CFEDMN Cc1csc(C(C#N)=C(O)C=CC2CCOCC2)n1 ZINC000112222384 625321929 /nfs/dbraw/zinc/32/19/29/625321929.db2.gz HCGZLDJMPPAFPK-QAVQXKDTSA-N 0 1 276.361 2.611 20 30 CFEDMN C#C[C@H](CC)NCc1cc(Br)cc2c1OCC2 ZINC000162699875 619149405 /nfs/dbraw/zinc/14/94/05/619149405.db2.gz ZHVHLNPRQYMWPS-CYBMUJFWSA-N 0 1 294.192 2.885 20 30 CFEDMN N#Cc1ccc(CN2C[C@H]3C[C@@]3(c3ccccc3)C2)o1 ZINC000931923562 619158995 /nfs/dbraw/zinc/15/89/95/619158995.db2.gz PPUYLVOLXFOZDW-PBHICJAKSA-N 0 1 264.328 2.925 20 30 CFEDMN Cc1ccc(N=NCc2ccc3oncc3c2)nc1 ZINC000814831390 619262427 /nfs/dbraw/zinc/26/24/27/619262427.db2.gz ACXODGLDOWAGMC-UHFFFAOYSA-N 0 1 252.277 2.977 20 30 CFEDMN C=C(C)[C@@H]1OCC[C@H]1CNCc1nnc(C(C)C)s1 ZINC000894221470 619269892 /nfs/dbraw/zinc/26/98/92/619269892.db2.gz QXKNVXIMYPSNDH-AAEUAGOBSA-N 0 1 281.425 2.732 20 30 CFEDMN C=C(C)[C@@H]1OCC[C@@H]1CNCc1nnc(C(C)C)s1 ZINC000894221476 619269944 /nfs/dbraw/zinc/26/99/44/619269944.db2.gz QXKNVXIMYPSNDH-YPMHNXCESA-N 0 1 281.425 2.732 20 30 CFEDMN C#CCOc1cccc(NC(=O)[C@@H]2CCCCN2CC)c1 ZINC000108290197 619280670 /nfs/dbraw/zinc/28/06/70/619280670.db2.gz IRECAEORSXODRV-INIZCTEOSA-N 0 1 286.375 2.512 20 30 CFEDMN C#C[C@H](NCc1cnc(CC(F)(F)F)s1)C(C)C ZINC000894386645 619362785 /nfs/dbraw/zinc/36/27/85/619362785.db2.gz CHIAVVDRODXVIJ-JTQLQIEISA-N 0 1 276.327 2.995 20 30 CFEDMN N#CC[C@@H]1CC[C@H](NCc2nnc(C3CC3)s2)C1 ZINC000894692712 619443659 /nfs/dbraw/zinc/44/36/59/619443659.db2.gz ZAWLRZDZJMNASI-ONGXEEELSA-N 0 1 262.382 2.587 20 30 CFEDMN C#CCOc1ccc(CNCc2ccc(OC)o2)cc1 ZINC000894735694 619452725 /nfs/dbraw/zinc/45/27/25/619452725.db2.gz DHKXYNDJPVGJDW-UHFFFAOYSA-N 0 1 271.316 2.590 20 30 CFEDMN CCN(Cc1c(O)ccc2ccncc21)C[C@@H](C)C#N ZINC000726960956 619511721 /nfs/dbraw/zinc/51/17/21/619511721.db2.gz IMTFNPVLDFOLEW-LBPRGKRZSA-N 0 1 269.348 2.922 20 30 CFEDMN Clc1cccc(N=NCc2cnn3ccccc23)n1 ZINC000793181202 619536459 /nfs/dbraw/zinc/53/64/59/619536459.db2.gz LBIVRYAJZBYCTQ-UHFFFAOYSA-N 0 1 271.711 2.829 20 30 CFEDMN C#CC[C@H](Cc1ccccc1)NC[C@H](C#N)CCC#N ZINC000795329238 619553333 /nfs/dbraw/zinc/55/33/33/619553333.db2.gz MJBPNQTTYMKRGC-DLBZAZTESA-N 0 1 265.360 2.654 20 30 CFEDMN C#CC1(NCc2ncc(C)c(OC)c2C)CCCC1 ZINC000895677977 619580606 /nfs/dbraw/zinc/58/06/06/619580606.db2.gz WJNBDHROTUWYNH-UHFFFAOYSA-N 0 1 258.365 2.743 20 30 CFEDMN C[C@H](CC1(C#N)CCOCC1)NCc1cc(C2CC2)no1 ZINC000895766590 619598346 /nfs/dbraw/zinc/59/83/46/619598346.db2.gz VUDUEAYORWPKGY-GFCCVEGCSA-N 0 1 289.379 2.741 20 30 CFEDMN C[C@@H](CC1(C#N)CCOCC1)NCc1cc(C2CC2)no1 ZINC000895766593 619598464 /nfs/dbraw/zinc/59/84/64/619598464.db2.gz VUDUEAYORWPKGY-LBPRGKRZSA-N 0 1 289.379 2.741 20 30 CFEDMN C#CCN1CCC(Nc2cccc(C(F)(F)F)n2)CC1 ZINC000895807712 619612508 /nfs/dbraw/zinc/61/25/08/619612508.db2.gz SFFRTCKCVUJCHS-UHFFFAOYSA-N 0 1 283.297 2.610 20 30 CFEDMN C#CCN(Cc1cccc2[nH]ccc21)C1CSC1 ZINC000895814273 619613707 /nfs/dbraw/zinc/61/37/07/619613707.db2.gz PIZXQKWNPGRNLO-UHFFFAOYSA-N 0 1 256.374 2.719 20 30 CFEDMN CO[C@H]1CC[C@H](C)N(Cc2cc(C#N)cs2)C1 ZINC000895929444 619637900 /nfs/dbraw/zinc/63/79/00/619637900.db2.gz ZWSRAQFLVHURDY-JQWIXIFHSA-N 0 1 250.367 2.619 20 30 CFEDMN C#C[C@H]1CC[C@H](NCc2nnc(C3CC3)s2)CC1 ZINC000895954440 619643703 /nfs/dbraw/zinc/64/37/03/619643703.db2.gz ZMSVXNZQVPLQEA-UMSPYCQHSA-N 0 1 261.394 2.697 20 30 CFEDMN C=C(C)CCc1noc([C@@H]2CCc3cnc(C)n3C2)n1 ZINC000896281968 619709068 /nfs/dbraw/zinc/70/90/68/619709068.db2.gz RFMMDJHOXXCURK-GFCCVEGCSA-N 0 1 272.352 2.813 20 30 CFEDMN C#CCN1CCC(C(=O)OC[C@H](C)C(C)(C)C)CC1 ZINC000869397004 619912901 /nfs/dbraw/zinc/91/29/01/619912901.db2.gz DPEKTRKWTUIZOT-ZDUSSCGKSA-N 0 1 265.397 2.557 20 30 CFEDMN C#CCN1CCC(NC(=O)CC[C@H](C)c2ccccc2)CC1 ZINC000928654990 619937450 /nfs/dbraw/zinc/93/74/50/619937450.db2.gz PEIBRLFQROIZBX-INIZCTEOSA-N 0 1 298.430 2.784 20 30 CFEDMN CC(C)C(=O)N1CCC(N(C)Cc2ccccc2C#N)CC1 ZINC000985274030 619941764 /nfs/dbraw/zinc/94/17/64/619941764.db2.gz LIOCHDIMIRNTBF-UHFFFAOYSA-N 0 1 299.418 2.637 20 30 CFEDMN C#CCN1CCC(NC(=O)C[C@@H](CC)c2ccccc2)CC1 ZINC000928658631 619947602 /nfs/dbraw/zinc/94/76/02/619947602.db2.gz WHDOCUUEZMITEF-MRXNPFEDSA-N 0 1 298.430 2.784 20 30 CFEDMN C[C@@H]1CC(=NC(=O)c2cc3c(cncc3Cl)s2)NO1 ZINC000897252871 619959834 /nfs/dbraw/zinc/95/98/34/619959834.db2.gz PCZMGJRTSVPCKH-ZCFIWIBFSA-N 0 1 295.751 2.802 20 30 CFEDMN C=C(Cl)CN(C)C1CCN(C(=O)CCC2CC2)CC1 ZINC000985348026 619962143 /nfs/dbraw/zinc/96/21/43/619962143.db2.gz JZSCFWXJWJFRRE-UHFFFAOYSA-N 0 1 284.831 2.852 20 30 CFEDMN C=C(Cl)CN(C)C1CCN(C(=O)c2coc(C)c2)CC1 ZINC000985398184 619967820 /nfs/dbraw/zinc/96/78/20/619967820.db2.gz AAGJEQMPAPGMOJ-UHFFFAOYSA-N 0 1 296.798 2.877 20 30 CFEDMN C=C(Cl)CN(C)C1CCN(C(=O)C[C@@H]2C[C@@H]2C)CC1 ZINC000985629763 620014771 /nfs/dbraw/zinc/01/47/71/620014771.db2.gz NPQXHZKRBPLMFW-AAEUAGOBSA-N 0 1 284.831 2.708 20 30 CFEDMN C=C(Cl)CN(C)C1CCN(C(=O)C2CC3(CC3)C2)CC1 ZINC000985641685 620017146 /nfs/dbraw/zinc/01/71/46/620017146.db2.gz OPNMUBCERLPCGV-UHFFFAOYSA-N 0 1 296.842 2.852 20 30 CFEDMN C=C(Cl)CN[C@H]1CCN(C(=O)C2CCCC2)[C@@H]1C ZINC000985871266 620046506 /nfs/dbraw/zinc/04/65/06/620046506.db2.gz RLTHMJFNPBRMAN-YPMHNXCESA-N 0 1 270.804 2.508 20 30 CFEDMN C=C(Cl)CN[C@H]1CN(C(=O)C2CC(C)C2)CC1(C)C ZINC000995637152 625747851 /nfs/dbraw/zinc/74/78/51/625747851.db2.gz IWKFSAIYBYWGSN-GDKBPFBDSA-N 0 1 284.831 2.612 20 30 CFEDMN C/C=C(\C)C(=O)N1CC[C@H](NCc2ccccc2C#N)[C@H]1C ZINC000986139236 620072300 /nfs/dbraw/zinc/07/23/00/620072300.db2.gz XCOUSYALALNEME-XBQZLSIWSA-N 0 1 297.402 2.603 20 30 CFEDMN C#Cc1cccc(NC(=O)CN(C)C[C@@H](C)CCC)c1 ZINC000179793780 620091250 /nfs/dbraw/zinc/09/12/50/620091250.db2.gz BWLDBEJGVIGLSP-AWEZNQCLSA-N 0 1 272.392 2.974 20 30 CFEDMN C=C(Cl)CN[C@@H]1CCN(C(=O)c2cocc2C)[C@@H]1C ZINC000986671931 620096626 /nfs/dbraw/zinc/09/66/26/620096626.db2.gz QYEDBJZQPJVMSZ-DGCLKSJQSA-N 0 1 282.771 2.533 20 30 CFEDMN C=C(Cl)CN[C@@H]1CCN(C(=O)c2occc2CC)[C@H]1C ZINC000986847529 620100342 /nfs/dbraw/zinc/10/03/42/620100342.db2.gz PNSPHXISXCAQGD-WCQYABFASA-N 0 1 296.798 2.787 20 30 CFEDMN Fc1ccc(NN=C2CCCc3scnc32)nc1 ZINC000863091921 620151152 /nfs/dbraw/zinc/15/11/52/620151152.db2.gz XUFMTROKBNBEFC-UHFFFAOYSA-N 0 1 262.313 2.830 20 30 CFEDMN C=C(Cl)CN[C@@H]1C[C@@H](C)N(C(=O)c2ccsc2)C1 ZINC000987924965 620158910 /nfs/dbraw/zinc/15/89/10/620158910.db2.gz BVQQGRRYYRCTSU-ZYHUDNBSSA-N 0 1 284.812 2.693 20 30 CFEDMN C=C(Cl)CN[C@@H]1C[C@H](C)N(C(=O)Cc2ccsc2)C1 ZINC000987914997 620158970 /nfs/dbraw/zinc/15/89/70/620158970.db2.gz HUVQYOVNKJMBNO-WCQYABFASA-N 0 1 298.839 2.622 20 30 CFEDMN C=C(Cl)CN[C@@H]1C[C@H](C)N(C(=O)CC(C)(C)C)C1 ZINC000988048150 620160556 /nfs/dbraw/zinc/16/05/56/620160556.db2.gz HHJDEMORFKTDQU-NWDGAFQWSA-N 0 1 272.820 2.754 20 30 CFEDMN C=C(Cl)CN[C@@H]1C[C@@H](C)N(C(=O)CC(C)(C)C)C1 ZINC000988048152 620160829 /nfs/dbraw/zinc/16/08/29/620160829.db2.gz HHJDEMORFKTDQU-VXGBXAGGSA-N 0 1 272.820 2.754 20 30 CFEDMN C=C(Cl)CN[C@H]1C[C@@H](C)N(C(=O)C(C)=C2CCC2)C1 ZINC000988817030 620225210 /nfs/dbraw/zinc/22/52/10/620225210.db2.gz DUXHRNWYENUKNE-RISCZKNCSA-N 0 1 282.815 2.818 20 30 CFEDMN C=C(Cl)CN[C@H]1C[C@H](C)N(C(=O)C2C=CC=CC=C2)C1 ZINC000988905822 620226751 /nfs/dbraw/zinc/22/67/51/620226751.db2.gz QPPDNUZDCVCENJ-ZFWWWQNUSA-N 0 1 292.810 2.616 20 30 CFEDMN C=CCCO[C@@H](C)C(=O)C(C#N)c1nc(C)cs1 ZINC000067785620 620234812 /nfs/dbraw/zinc/23/48/12/620234812.db2.gz CVIFLIBPKYHWQT-QWRGUYRKSA-N 0 1 264.350 2.609 20 30 CFEDMN C=C(Br)CNC(=O)c1ccc(O)c(Cl)c1 ZINC000070881849 625407944 /nfs/dbraw/zinc/40/79/44/625407944.db2.gz CMQNOXIPOYZMMR-UHFFFAOYSA-N 0 1 290.544 2.684 20 30 CFEDMN C=C(Cl)CN[C@H]1C[C@@H](C)N(C(=O)c2cc(C)co2)C1 ZINC000989302955 620243998 /nfs/dbraw/zinc/24/39/98/620243998.db2.gz PEIAEQVTBSFYKI-NEPJUHHUSA-N 0 1 282.771 2.533 20 30 CFEDMN C#Cc1ccc(C(=O)N[C@H](C)c2n[nH]c([C@@H](C)CC)n2)cc1 ZINC000897556037 620245535 /nfs/dbraw/zinc/24/55/35/620245535.db2.gz DFFDBEDXDYAWKE-NWDGAFQWSA-N 0 1 296.374 2.791 20 30 CFEDMN CC(C)(C)N1CC[C@@H]1C(=O)N[C@H]1CCc2cc(C#N)ccc21 ZINC000897594035 620254104 /nfs/dbraw/zinc/25/41/04/620254104.db2.gz LMVJHEPNVARZNW-JKSUJKDBSA-N 0 1 297.402 2.535 20 30 CFEDMN CCc1cccc(CNCc2nc(C#N)cs2)c1O ZINC000897630400 620264145 /nfs/dbraw/zinc/26/41/45/620264145.db2.gz XRXRRBFTIJIWSB-UHFFFAOYSA-N 0 1 273.361 2.573 20 30 CFEDMN C[C@H]1CCc2n[nH]c(C(=O)NCC(C)(C)CCC#N)c2C1 ZINC000897770821 620278930 /nfs/dbraw/zinc/27/89/30/620278930.db2.gz NREVNVCNDHTSKY-NSHDSACASA-N 0 1 288.395 2.594 20 30 CFEDMN C[C@@H](NCc1cc(C#N)ccc1N(C)C)c1cncs1 ZINC000897930561 620305686 /nfs/dbraw/zinc/30/56/86/620305686.db2.gz QVUOOMMAPVQCID-LLVKDONJSA-N 0 1 286.404 2.932 20 30 CFEDMN C=C[C@@H](C)ONC(=O)[C@@H](c1ccncc1)C1CCCC1 ZINC000898281006 620364236 /nfs/dbraw/zinc/36/42/36/620364236.db2.gz NOADNVIWAKKGIE-IUODEOHRSA-N 0 1 274.364 2.978 20 30 CFEDMN C=C(C)CN1CCCN(C(=O)c2ccc(F)cc2C)CC1 ZINC000989527706 620380371 /nfs/dbraw/zinc/38/03/71/620380371.db2.gz WCPFLEIPKULBNP-UHFFFAOYSA-N 0 1 290.382 2.858 20 30 CFEDMN C=CC[N@@H+]1CCCN(C(=O)C2(C)C(C)(C)C2(C)C)CC1 ZINC000989806329 620393567 /nfs/dbraw/zinc/39/35/67/620393567.db2.gz DMZJWPLPUUHGMR-UHFFFAOYSA-N 0 1 278.440 2.779 20 30 CFEDMN C=CCN1CCCN(C(=O)C2(C)C(C)(C)C2(C)C)CC1 ZINC000989806329 620393569 /nfs/dbraw/zinc/39/35/69/620393569.db2.gz DMZJWPLPUUHGMR-UHFFFAOYSA-N 0 1 278.440 2.779 20 30 CFEDMN CCC(=O)N[C@@]12CCC[C@H]1[N@@H+](Cc1ccc(C#N)cc1)CC2 ZINC000989870805 620397081 /nfs/dbraw/zinc/39/70/81/620397081.db2.gz OISPFTNGPJUJMH-SJLPKXTDSA-N 0 1 297.402 2.581 20 30 CFEDMN CC(C)N1CCC[C@H]1C(=O)OCc1ccc(F)c(C#N)c1 ZINC000923891187 620443973 /nfs/dbraw/zinc/44/39/73/620443973.db2.gz XMKTWNASWSPUCL-HNNXBMFYSA-N 0 1 290.338 2.613 20 30 CFEDMN Cc1ccc(COC(=O)[C@H]2CCCN2C(C)C)cc1C#N ZINC000923891447 620444013 /nfs/dbraw/zinc/44/40/13/620444013.db2.gz MOKUHXXLEXUVRC-MRXNPFEDSA-N 0 1 286.375 2.783 20 30 CFEDMN C=CC(C)(C)NCc1csc(-c2ccn(C)n2)n1 ZINC000898460045 620466966 /nfs/dbraw/zinc/46/69/66/620466966.db2.gz BFIYOIOFENNFBP-UHFFFAOYSA-N 0 1 262.382 2.598 20 30 CFEDMN C=CC[C@@H]1CCCN(C(=O)[C@H]2CCN2C(C)(C)C)C1 ZINC000898669554 620487203 /nfs/dbraw/zinc/48/72/03/620487203.db2.gz QQCZYLZYNIOMOK-ZIAGYGMSSA-N 0 1 264.413 2.674 20 30 CFEDMN C=CCCC(C)(C)NC(=O)[C@H]1CCN1C(C)(C)C ZINC000898989005 620513102 /nfs/dbraw/zinc/51/31/02/620513102.db2.gz QBLGWIJDAOQCNF-GFCCVEGCSA-N 0 1 252.402 2.720 20 30 CFEDMN C#CC[C@H]1C(=O)N(c2ncc(Cl)cc2Cl)N=C1C ZINC000899346260 620547151 /nfs/dbraw/zinc/54/71/51/620547151.db2.gz HTSHNGWJWWBEEG-SECBINFHSA-N 0 1 282.130 2.750 20 30 CFEDMN O=C(/C=C\c1cnn(C2CCC2)c1)c1ccc(O)cc1O ZINC000899362557 620553685 /nfs/dbraw/zinc/55/36/85/620553685.db2.gz XBAZFBSHTDKTOA-DAXSKMNVSA-N 0 1 284.315 2.915 20 30 CFEDMN N#Cc1cc(Cl)ccc1-n1cc([C@@H]2CCCCN2)nn1 ZINC000899731530 620594986 /nfs/dbraw/zinc/59/49/86/620594986.db2.gz ZLLMACXCMBUVMV-LBPRGKRZSA-N 0 1 287.754 2.607 20 30 CFEDMN C#CCCCCCC[N@@H+]1C[C@H]2CCC[C@]2(C(=O)[O-])C1 ZINC000901519401 620854723 /nfs/dbraw/zinc/85/47/23/620854723.db2.gz PPHUDSNLWIZJHP-ZBFHGGJFSA-N 0 1 263.381 2.757 20 30 CFEDMN C=CC[N@H+](CC(=O)[O-])Cc1ccc(OCC2CC2)cc1 ZINC000901587027 620863016 /nfs/dbraw/zinc/86/30/16/620863016.db2.gz UMIQTMGOOOQVSA-UHFFFAOYSA-N 0 1 275.348 2.548 20 30 CFEDMN C#CCOc1cccc(Cl)c1C[N@H+](C)C[C@@H](C)C(=O)[O-] ZINC000901595696 620866074 /nfs/dbraw/zinc/86/60/74/620866074.db2.gz AFKMCXKDHJRNHK-LLVKDONJSA-N 0 1 295.766 2.505 20 30 CFEDMN CCc1onc(C)c1CNc1nc2ccc(C#N)cc2[nH]1 ZINC000902158339 620989089 /nfs/dbraw/zinc/98/90/89/620989089.db2.gz REOTVJLHUPCDAB-UHFFFAOYSA-N 0 1 281.319 2.906 20 30 CFEDMN C=C(Br)C[NH2+]Cc1cc(C(=O)[O-])c(CC)o1 ZINC000902186800 620991220 /nfs/dbraw/zinc/99/12/20/620991220.db2.gz HYQDJNGTEWCFNX-UHFFFAOYSA-N 0 1 288.141 2.538 20 30 CFEDMN C=C1CC[NH+](Cc2cn(-c3ccccc3)nc2C(=O)[O-])CC1 ZINC000902231133 621003129 /nfs/dbraw/zinc/00/31/29/621003129.db2.gz LRGQWEFWEYRVNR-UHFFFAOYSA-N 0 1 297.358 2.723 20 30 CFEDMN C=C1C[C@H]2CC[C@@H](C1)N2CN1Cc2ccccc2C1=O ZINC000902318974 621023581 /nfs/dbraw/zinc/02/35/81/621023581.db2.gz KHJQSPPASPTWOU-GASCZTMLSA-N 0 1 268.360 2.783 20 30 CFEDMN CC(C)C(N)=NOCc1cc(Cl)cc(C#N)c1 ZINC000902329068 621037943 /nfs/dbraw/zinc/03/79/43/621037943.db2.gz VOEYWYOGTYNOCV-UHFFFAOYSA-N 0 1 251.717 2.866 20 30 CFEDMN C=CCOc1cccc(C[N@@H+]2C[C@@H](C)[C@H](CC(=O)[O-])C2)c1 ZINC000902555978 621121357 /nfs/dbraw/zinc/12/13/57/621121357.db2.gz ONWUILHPFHPSEG-UKRRQHHQSA-N 0 1 289.375 2.794 20 30 CFEDMN C=CCCCN(CC)CN1C(=O)[C@H](C2CC2)[C@@H]1C1CC1 ZINC000902668442 621148687 /nfs/dbraw/zinc/14/86/87/621148687.db2.gz ARYUZAVOCDRZRU-CVEARBPZSA-N 0 1 276.424 2.879 20 30 CFEDMN COc1cccc(CN[C@@H](C)c2cc(C#N)ccn2)c1 ZINC000902727150 621158821 /nfs/dbraw/zinc/15/88/21/621158821.db2.gz WSQPMHNUHCSBHO-LBPRGKRZSA-N 0 1 267.332 2.813 20 30 CFEDMN C[C@@H](C#N)OCCN1CC[C@@H](Oc2ccccc2Cl)C1 ZINC000801933799 621168918 /nfs/dbraw/zinc/16/89/18/621168918.db2.gz GELZIULNLXHCQY-QWHCGFSZSA-N 0 1 294.782 2.722 20 30 CFEDMN CO[C@H]1c2ccccc2C[C@H]1N[C@H](C)c1cc(C#N)ccn1 ZINC000903019068 621222908 /nfs/dbraw/zinc/22/29/08/621222908.db2.gz JNLNZRRIPFJWEW-PJSAGSTRSA-N 0 1 293.370 2.916 20 30 CFEDMN C=CCC[C@@H](NCc1ncccn1)[C@]1(C)CCCCO1 ZINC000903054847 621234879 /nfs/dbraw/zinc/23/48/79/621234879.db2.gz RPBMRKUSQZQTSL-ZBFHGGJFSA-N 0 1 275.396 2.860 20 30 CFEDMN C[C@H]1C[C@H](NCC2(C#N)CC2)c2c1c(F)ccc2O ZINC000903106029 621255316 /nfs/dbraw/zinc/25/53/16/621255316.db2.gz LKECTSKEMZQRDZ-ONGXEEELSA-N 0 1 260.312 2.973 20 30 CFEDMN C#C[C@H](N[C@H](C)c1cnn(CC2CCC2)c1)[C@@H]1CCCO1 ZINC000903152826 621268906 /nfs/dbraw/zinc/26/89/06/621268906.db2.gz PXHBFAZOMYNLAL-COXVUDFISA-N 0 1 287.407 2.515 20 30 CFEDMN C=C[C@H](CO)N[C@@H]1CCCc2ccc(OC)c(Cl)c21 ZINC000903203177 621284808 /nfs/dbraw/zinc/28/48/08/621284808.db2.gz IXXNHFZXCODNRJ-VXGBXAGGSA-N 0 1 281.783 2.863 20 30 CFEDMN C=CCC[C@@H](NCc1nc(C#N)cs1)[C@@H]1CCCO1 ZINC000903265130 621305442 /nfs/dbraw/zinc/30/54/42/621305442.db2.gz XWZRFYFAOWLDCU-OLZOCXBDSA-N 0 1 277.393 2.618 20 30 CFEDMN C=CC[C@@H](C)[C@@H](C)NCc1ncc(Br)cn1 ZINC000903319386 621321435 /nfs/dbraw/zinc/32/14/35/621321435.db2.gz QONNGKXBVPLRFG-NXEZZACHSA-N 0 1 284.201 2.929 20 30 CFEDMN C[C@@]1(C(=O)[O-])CCC[N@H+]1Cc1cc(Cl)cc(C#N)c1 ZINC000903409580 621364424 /nfs/dbraw/zinc/36/44/24/621364424.db2.gz WEDVOUQMZJXEHH-AWEZNQCLSA-N 0 1 278.739 2.651 20 30 CFEDMN C[C@H]1C[C@H](C(=O)[O-])C[N@@H+](Cc2cc(Cl)cc(C#N)c2)C1 ZINC000903409384 621364668 /nfs/dbraw/zinc/36/46/68/621364668.db2.gz YPEMYVVWKCHJCW-GWCFXTLKSA-N 0 1 292.766 2.754 20 30 CFEDMN C=CC[C@@H](C)[N@H+]1CCc2c(F)ccc(C(=O)[O-])c2C1 ZINC000903606522 621400930 /nfs/dbraw/zinc/40/09/30/621400930.db2.gz KHVNNFKNKJLZLY-SNVBAGLBSA-N 0 1 263.312 2.847 20 30 CFEDMN N#Cc1csc(C[N@@H+]2CCCC[C@H]2CCC(=O)[O-])c1 ZINC000903694723 621419749 /nfs/dbraw/zinc/41/97/49/621419749.db2.gz DZDKRWBQJNWCLF-LBPRGKRZSA-N 0 1 278.377 2.839 20 30 CFEDMN N#Cc1ccc(C[N@@H+]2CCCC[C@H]2CCC(=O)[O-])s1 ZINC000903697773 621420873 /nfs/dbraw/zinc/42/08/73/621420873.db2.gz KPFMTLPCWIQTHE-NSHDSACASA-N 0 1 278.377 2.839 20 30 CFEDMN CC(C)N1CCC[C@H]1C(=O)Nc1ccc(F)cc1C#N ZINC000903794787 621439698 /nfs/dbraw/zinc/43/96/98/621439698.db2.gz DWINEFIHLZNMOV-AWEZNQCLSA-N 0 1 275.327 2.509 20 30 CFEDMN C=CC[C@@H]1CCC[N@H+](Cc2cncc(C(=O)[O-])c2)C1 ZINC000903906406 621469340 /nfs/dbraw/zinc/46/93/40/621469340.db2.gz JCXNHMNOWZLNFW-GFCCVEGCSA-N 0 1 260.337 2.568 20 30 CFEDMN C#CC[C@H]1CCC[N@H+]([C@H](CCc2ccccc2)C(=O)[O-])C1 ZINC000903906313 621469470 /nfs/dbraw/zinc/46/94/70/621469470.db2.gz HJMMAXSIDSFAOW-DLBZAZTESA-N 0 1 285.387 2.808 20 30 CFEDMN C=CC[C@@H](C)[N@H+]1CCOc2c(cccc2C(=O)[O-])C1 ZINC000903927867 621475267 /nfs/dbraw/zinc/47/52/67/621475267.db2.gz NPHSKXNZGDHZSS-LLVKDONJSA-N 0 1 261.321 2.544 20 30 CFEDMN C=CCCC[N@@H+]1CC[C@@H](c2ncc(C(=O)[O-])s2)C1 ZINC000903928633 621476146 /nfs/dbraw/zinc/47/61/46/621476146.db2.gz WFEBIKFJAPTHMT-SNVBAGLBSA-N 0 1 266.366 2.597 20 30 CFEDMN C=C(Br)C[N@@H+]1[C@H](C)C[C@H](C)[C@H](C(=O)[O-])[C@@H]1C ZINC000903952464 621488356 /nfs/dbraw/zinc/48/83/56/621488356.db2.gz YUUFFNKMPNAJPS-VFRUTBLMSA-N 0 1 290.201 2.715 20 30 CFEDMN O=C([C@@H]1C[C@H]1c1cnc[nH]1)N(O)Cc1ccccc1Cl ZINC000904192302 621546241 /nfs/dbraw/zinc/54/62/41/621546241.db2.gz HSRABNQLLVEBDN-GHMZBOCLSA-N 0 1 291.738 2.585 20 30 CFEDMN C=C(Br)CNC[C@@H](O)c1cccc(C)c1 ZINC000905063567 621696207 /nfs/dbraw/zinc/69/62/07/621696207.db2.gz DCVGJOCIRYMWOP-GFCCVEGCSA-N 0 1 270.170 2.527 20 30 CFEDMN N#CC1(C[C@H](O)CN[C@H]2c3ccccc3CC[C@@H]2F)CC1 ZINC000905454846 621775972 /nfs/dbraw/zinc/77/59/72/621775972.db2.gz ZZFFDDQHCPPCCS-BPUTZDHNSA-N 0 1 288.366 2.656 20 30 CFEDMN CCC(=NNC1=N[C@H]2CCCC[C@@H]2N1)c1cccc(C#N)c1 ZINC000905456098 621776324 /nfs/dbraw/zinc/77/63/24/621776324.db2.gz GDRBEILANMREGB-HOTGVXAUSA-N 0 1 295.390 2.532 20 30 CFEDMN Cc1cc(F)c(CNC[C@@H](O)CC(C)(C)C#N)c(F)c1 ZINC000905617241 621806304 /nfs/dbraw/zinc/80/63/04/621806304.db2.gz PAZFDISNLBJZTE-NSHDSACASA-N 0 1 282.334 2.664 20 30 CFEDMN C=CCCC[N@H+](CC)Cc1c(C)nn(CCC(=O)[O-])c1C ZINC000905800974 621866995 /nfs/dbraw/zinc/86/69/95/621866995.db2.gz ZXMJBANWEQDLRV-UHFFFAOYSA-N 0 1 293.411 2.763 20 30 CFEDMN C[C@@H](c1ccc(C#N)cc1)n1cc(CN(C)C(C)(C)C)nn1 ZINC000905801966 621867214 /nfs/dbraw/zinc/86/72/14/621867214.db2.gz OPGQBYNJNKRHPS-ZDUSSCGKSA-N 0 1 297.406 2.989 20 30 CFEDMN CC1(CC(F)(F)F)CN(C[C@H](O)CC2(C#N)CCC2)C1 ZINC000905953989 621911209 /nfs/dbraw/zinc/91/12/09/621911209.db2.gz AUNQQMCOXXKZNV-LLVKDONJSA-N 0 1 290.329 2.706 20 30 CFEDMN C=C[C@H](CC)CC(=O)N1[C@H](C)CN(C)[C@H](C)[C@H]1C ZINC000905982335 621913637 /nfs/dbraw/zinc/91/36/37/621913637.db2.gz ABQNUDFJHOKLHQ-AAVRWANBSA-N 0 1 252.402 2.528 20 30 CFEDMN Cc1[nH]ncc1CCCNC(=O)c1cc(C)c(C#N)c(C)c1 ZINC000906104553 621931123 /nfs/dbraw/zinc/93/11/23/621931123.db2.gz ZDYWTPCTTHPLQJ-UHFFFAOYSA-N 0 1 296.374 2.569 20 30 CFEDMN CCCCCCCCC(=O)NCc1n[nH]c(CC)n1 ZINC000832979682 625542518 /nfs/dbraw/zinc/54/25/18/625542518.db2.gz CSMRCIXKCHOZMB-UHFFFAOYSA-N 0 1 266.389 2.734 20 30 CFEDMN C#CCN(Cc1cc(C(=O)OC)c(C)o1)C1CCCC1 ZINC000155859910 622483449 /nfs/dbraw/zinc/48/34/49/622483449.db2.gz VZOCWXNPAXBYEM-UHFFFAOYSA-N 0 1 275.348 2.752 20 30 CFEDMN CC(C)NC(=O)[C@@H](C#N)C(=O)CC1CCCCCC1 ZINC000175113480 622507815 /nfs/dbraw/zinc/50/78/15/622507815.db2.gz DUALSJKBMAHIGT-ZDUSSCGKSA-N 0 1 264.369 2.580 20 30 CFEDMN C#Cc1cccc(NC(=O)c2ccc(-c3nnc[nH]3)cc2)c1 ZINC000184119205 625575108 /nfs/dbraw/zinc/57/51/08/625575108.db2.gz DBKCRDNSVGZTPO-UHFFFAOYSA-N 0 1 288.310 2.705 20 30 CFEDMN C=CC1(CC(=O)N2C[C@H](C)N[C@@H](C)C2)CCCCC1 ZINC000911798765 622553118 /nfs/dbraw/zinc/55/31/18/622553118.db2.gz WZBPRJSQGUUKGH-KBPBESRZSA-N 0 1 264.413 2.722 20 30 CFEDMN C=CC1(CC(=O)N2C[C@@H](C)N[C@H](C)C2)CCCCC1 ZINC000911798769 622553599 /nfs/dbraw/zinc/55/35/99/622553599.db2.gz WZBPRJSQGUUKGH-ZIAGYGMSSA-N 0 1 264.413 2.722 20 30 CFEDMN N#CCC1(COC(=O)c2cc3[nH]cnc3cc2F)CC1 ZINC000820138793 622616219 /nfs/dbraw/zinc/61/62/19/622616219.db2.gz KMPWHTUTXYLABT-UHFFFAOYSA-N 0 1 273.267 2.553 20 30 CFEDMN C[C@H](OC(=O)c1cc2[nH]cnc2cc1F)C(C)(C)C#N ZINC000820362975 622656309 /nfs/dbraw/zinc/65/63/09/622656309.db2.gz JXZGXANPKWNPFF-QMMMGPOBSA-N 0 1 275.283 2.797 20 30 CFEDMN C#CCNCC(=O)N(CCC)[C@@H](CC)c1ccccc1 ZINC000912475650 622724344 /nfs/dbraw/zinc/72/43/44/622724344.db2.gz SYNCBZLISKDLBD-INIZCTEOSA-N 0 1 272.392 2.599 20 30 CFEDMN N#CCC[N@@H+](Cc1ccc(C(=O)[O-])cc1)CC1CC1 ZINC000821324527 622894335 /nfs/dbraw/zinc/89/43/35/622894335.db2.gz IBWAAYPLSWYLEQ-UHFFFAOYSA-N 0 1 258.321 2.510 20 30 CFEDMN N#CCC[N@H+](Cc1ccc(C(=O)[O-])cc1)CC1CC1 ZINC000821324527 622894340 /nfs/dbraw/zinc/89/43/40/622894340.db2.gz IBWAAYPLSWYLEQ-UHFFFAOYSA-N 0 1 258.321 2.510 20 30 CFEDMN C=CC[N@H+](CC(=O)[O-])Cc1ccc(F)c(Cl)c1 ZINC000164539814 622958591 /nfs/dbraw/zinc/95/85/91/622958591.db2.gz BAGVXTAESHKQRV-UHFFFAOYSA-N 0 1 257.692 2.552 20 30 CFEDMN N#CC(C(=O)Cc1ccc(F)cc1)c1ccccn1 ZINC000046439796 623075310 /nfs/dbraw/zinc/07/53/10/623075310.db2.gz MZXFLYATLOMPPZ-CYBMUJFWSA-N 0 1 254.264 2.640 20 30 CFEDMN N#Cc1ccc(CNC[C@@H](O)c2ccsc2)c(F)c1 ZINC000227597881 623113950 /nfs/dbraw/zinc/11/39/50/623113950.db2.gz HGYOSTCMSZWXRT-CQSZACIVSA-N 0 1 276.336 2.582 20 30 CFEDMN C=C(C)CN(Cc1ccccc1)C(=O)CN1CCCC1 ZINC000822566800 623128158 /nfs/dbraw/zinc/12/81/58/623128158.db2.gz YNKGWFGBVWHTTB-UHFFFAOYSA-N 0 1 272.392 2.687 20 30 CFEDMN N#CCOc1ccc(CNCc2ccccc2[N+](=O)[O-])cc1 ZINC000061116164 623184912 /nfs/dbraw/zinc/18/49/12/623184912.db2.gz WUBYQPYOWFSOMJ-UHFFFAOYSA-N 0 1 297.314 2.787 20 30 CFEDMN C[C@@H](C#N)Oc1ccc(CNCc2cccc(O)c2)cc1 ZINC000171563624 623230689 /nfs/dbraw/zinc/23/06/89/623230689.db2.gz UJGLLYVJLDKMGF-ZDUSSCGKSA-N 0 1 282.343 2.973 20 30 CFEDMN CCCCCCCCCN1C[C@H](CO)O[C@@H](C)C1 ZINC000230013127 623239879 /nfs/dbraw/zinc/23/98/79/623239879.db2.gz KOHSJPRXFXUUGD-LSDHHAIUSA-N 0 1 257.418 2.819 20 30 CFEDMN CC(C)[C@H](C)C(=O)C(C#N)C(=O)Nc1ccccc1 ZINC000172020759 623254137 /nfs/dbraw/zinc/25/41/37/623254137.db2.gz FEVSFVWKOFFGIC-AAEUAGOBSA-N 0 1 258.321 2.626 20 30 CFEDMN COc1cccc(NC(=O)C(C#N)C(=O)[C@H](C)C(C)C)c1 ZINC000172020533 623254192 /nfs/dbraw/zinc/25/41/92/623254192.db2.gz XDTYTJJVBZPISJ-BXUZGUMPSA-N 0 1 288.347 2.635 20 30 CFEDMN COc1ccc(NC(=O)C(C#N)C(=O)CC2CCC2)cc1 ZINC000173986556 623378786 /nfs/dbraw/zinc/37/87/86/623378786.db2.gz IRGSMMZTHBMGKK-AWEZNQCLSA-N 0 1 286.331 2.533 20 30 CFEDMN COc1ccc(NC(=O)C(C#N)C(=O)CC2CCC2)cc1 ZINC000173986568 623379187 /nfs/dbraw/zinc/37/91/87/623379187.db2.gz IRGSMMZTHBMGKK-CQSZACIVSA-N 0 1 286.331 2.533 20 30 CFEDMN COc1ccccc1NC(=O)C(C#N)C(=O)CC1CCC1 ZINC000173977688 623379467 /nfs/dbraw/zinc/37/94/67/623379467.db2.gz UEXOROPPZYTARD-LBPRGKRZSA-N 0 1 286.331 2.533 20 30 CFEDMN CCCCCNC(=O)C(C#N)C(=O)C[C@H](C)CCC ZINC000194581967 625646076 /nfs/dbraw/zinc/64/60/76/625646076.db2.gz WLCZOPLVQZZFRK-CHWSQXEVSA-N 0 1 266.385 2.828 20 30 CFEDMN CC(C)N(Cc1ccc(O[C@H](C)C#N)cc1)C1COC1 ZINC000824471947 623511757 /nfs/dbraw/zinc/51/17/57/623511757.db2.gz JVLVFTVVURKJGU-CYBMUJFWSA-N 0 1 274.364 2.587 20 30 CFEDMN COC(=O)C1(C#N)CCN(Cc2cc(C)ccc2C)CC1 ZINC000824860966 623579785 /nfs/dbraw/zinc/57/97/85/623579785.db2.gz AZMLASKPFBCXQR-UHFFFAOYSA-N 0 1 286.375 2.582 20 30 CFEDMN COC(=O)C1(C#N)CCN(Cc2ccc(C)cc2C)CC1 ZINC000824861090 623580367 /nfs/dbraw/zinc/58/03/67/623580367.db2.gz HHUPPYUHPAJKPF-UHFFFAOYSA-N 0 1 286.375 2.582 20 30 CFEDMN COC(=O)C1(C#N)CCN(C[C@@H]2C[C@@H]2c2ccccc2)CC1 ZINC000824867087 623580906 /nfs/dbraw/zinc/58/09/06/623580906.db2.gz LNTBXANJHYUYOO-JKSUJKDBSA-N 0 1 298.386 2.569 20 30 CFEDMN C#CCN1CC[C@]2(NC(=O)c3cc(C)ccc3C)CCC[C@H]12 ZINC000992464685 623581646 /nfs/dbraw/zinc/58/16/46/623581646.db2.gz QMWVFXBIMLYHSR-PKOBYXMFSA-N 0 1 296.414 2.663 20 30 CFEDMN Cc1ccc([C@H](CNC(=O)C#CC(C)C)N2CCCC2)o1 ZINC000825279221 623663639 /nfs/dbraw/zinc/66/36/39/623663639.db2.gz SCKMYFPOXZITBD-HNNXBMFYSA-N 0 1 288.391 2.501 20 30 CFEDMN CCC(CC)CN(CCC#N)C[C@H]1CCC2(COC2)O1 ZINC000929778946 623666563 /nfs/dbraw/zinc/66/65/63/623666563.db2.gz JEVRPEJKGHAWHN-OAHLLOKOSA-N 0 1 280.412 2.586 20 30 CFEDMN C=CC[C@H](CO)C[NH2+]Cc1cc(Cl)c(C)cc1[O-] ZINC000825400432 623687288 /nfs/dbraw/zinc/68/72/88/623687288.db2.gz KVYGZNWJPFLWOW-NSHDSACASA-N 0 1 269.772 2.628 20 30 CFEDMN CC#CC[N@H+]1CCC[C@H](NC(=O)c2cccc(C)c2)[C@@H]1C ZINC000992981406 623827952 /nfs/dbraw/zinc/82/79/52/623827952.db2.gz JZUFHQVVWCARLL-RDJZCZTQSA-N 0 1 284.403 2.601 20 30 CFEDMN CC#CCN1CCC[C@H](NC(=O)c2cccc(C)c2)[C@@H]1C ZINC000992981406 623827962 /nfs/dbraw/zinc/82/79/62/623827962.db2.gz JZUFHQVVWCARLL-RDJZCZTQSA-N 0 1 284.403 2.601 20 30 CFEDMN CC#CCN1CCC[C@@H](NC(=O)CC2CCCCC2)[C@H]1C ZINC000992988127 623830687 /nfs/dbraw/zinc/83/06/87/623830687.db2.gz VAIKITOKBFCLFU-NVXWUHKLSA-N 0 1 290.451 2.949 20 30 CFEDMN C=C(C)CN1CCC[C@@H](NC(=O)c2occc2C)[C@H]1C ZINC000993036549 623859619 /nfs/dbraw/zinc/85/96/19/623859619.db2.gz KXZGHGXNNSBZOT-ZIAGYGMSSA-N 0 1 276.380 2.747 20 30 CFEDMN Brc1cc(C=NNc2cnccn2)cs1 ZINC000914559970 623899055 /nfs/dbraw/zinc/89/90/55/623899055.db2.gz LRENSEZDMBEYBH-UHFFFAOYSA-N 0 1 283.154 2.747 20 30 CFEDMN C#CCOc1ccccc1CN1CC(COC)(C2CCC2)C1 ZINC000827010958 623923812 /nfs/dbraw/zinc/92/38/12/623923812.db2.gz COXDNLNNXQKHEP-UHFFFAOYSA-N 0 1 299.414 2.947 20 30 CFEDMN Cc1csc(C(C#N)C(=O)c2ccc(Cl)nc2)n1 ZINC000915100341 623981721 /nfs/dbraw/zinc/98/17/21/623981721.db2.gz UOIHMPZOIYFLLM-VIFPVBQESA-N 0 1 277.736 2.990 20 30 CFEDMN Cc1csc([C@@H](C#N)C(=O)c2ccc(Cl)nc2)n1 ZINC000915100341 623981723 /nfs/dbraw/zinc/98/17/23/623981723.db2.gz UOIHMPZOIYFLLM-VIFPVBQESA-N 0 1 277.736 2.990 20 30 CFEDMN CC#CCN1CCC[C@H](NC(=O)C2C(C)(C)C2(C)C)[C@H]1C ZINC000993178970 623982121 /nfs/dbraw/zinc/98/21/21/623982121.db2.gz GMUMSEDPTFDPDY-KGLIPLIRSA-N 0 1 290.451 2.661 20 30 CFEDMN C[C@@H](NC(=O)[C@@H](C)CC#N)c1nc2ccc(Cl)cc2[nH]1 ZINC000827347319 623991757 /nfs/dbraw/zinc/99/17/57/623991757.db2.gz ONUIPSQSMSKSBB-DTWKUNHWSA-N 0 1 290.754 2.943 20 30 CFEDMN CCC[C@@H](C(=O)C(C#N)C(=O)Nc1ccccn1)C(C)C ZINC000153531925 624007930 /nfs/dbraw/zinc/00/79/30/624007930.db2.gz RDJNNAFAILBZMB-OLZOCXBDSA-N 0 1 287.363 2.801 20 30 CFEDMN C=C(Cl)CN[C@@H]1CN(C(=O)C[C@H]2C=CCC2)CC1(C)C ZINC000995412290 625691801 /nfs/dbraw/zinc/69/18/01/625691801.db2.gz ASPFHRAPMFPDNI-UONOGXRCSA-N 0 1 296.842 2.922 20 30 CFEDMN CC#CCN1CCC[C@@H](NC(=O)C(C)=C2CCCC2)[C@H]1C ZINC000993199060 624017783 /nfs/dbraw/zinc/01/77/83/624017783.db2.gz LHIFRZIITFQVIS-NVXWUHKLSA-N 0 1 288.435 2.869 20 30 CFEDMN C#C[C@@H]([NH2+]Cc1c([O-])cc(C)cc1Cl)C1CCOCC1 ZINC000827555621 624029963 /nfs/dbraw/zinc/02/99/63/624029963.db2.gz YBYJESDSNFIABY-OAHLLOKOSA-N 0 1 293.794 2.872 20 30 CFEDMN C#C[C@H](NCc1ccc([C@H]2C[C@@H]2C)o1)C1CCOCC1 ZINC000827570595 624036673 /nfs/dbraw/zinc/03/66/73/624036673.db2.gz OXHBNPZCYLBREG-RCBQFDQVSA-N 0 1 273.376 2.921 20 30 CFEDMN C#CCOc1cccc(Cl)c1CN1CCC2(COC2)C1 ZINC000827643134 624050516 /nfs/dbraw/zinc/05/05/16/624050516.db2.gz HKUBGTHPJWJHAO-UHFFFAOYSA-N 0 1 291.778 2.574 20 30 CFEDMN C[C@@]1(C#N)CCN(Cc2c(O)ccc(Cl)c2F)C1 ZINC000827649037 624051650 /nfs/dbraw/zinc/05/16/50/624051650.db2.gz GUAXEDNRHIGCAP-ZDUSSCGKSA-N 0 1 268.719 2.920 20 30 CFEDMN C#CC(=O)N1CCCC[C@@H]1c1nc2ccc(Cl)cc2[nH]1 ZINC000837283434 624097062 /nfs/dbraw/zinc/09/70/62/624097062.db2.gz QSMKXGUYJAZYJR-CYBMUJFWSA-N 0 1 287.750 2.903 20 30 CFEDMN CC(C)N1CCC[C@@H]1C(=O)Nc1cc(F)cc(C#N)c1 ZINC000827860358 624113738 /nfs/dbraw/zinc/11/37/38/624113738.db2.gz XFAXUNDJZZGIEW-CQSZACIVSA-N 0 1 275.327 2.509 20 30 CFEDMN C=CCN1CCC[C@@H](NC(=O)c2nc(C)sc2C)[C@H]1C ZINC000993503973 624147603 /nfs/dbraw/zinc/14/76/03/624147603.db2.gz LVTKYSYDHNDALO-ZWNOBZJWSA-N 0 1 293.436 2.529 20 30 CFEDMN C=CCN1CCC[C@H](NC(=O)c2ccc(C)c(F)c2)[C@H]1C ZINC000993576320 624150943 /nfs/dbraw/zinc/15/09/43/624150943.db2.gz UEYIHQASJAGVEU-CJNGLKHVSA-N 0 1 290.382 2.903 20 30 CFEDMN C=CCN1CCC[C@@H](NC(=O)C(C)(C)C2CC2)[C@H]1C ZINC000993691608 624160962 /nfs/dbraw/zinc/16/09/62/624160962.db2.gz HMYPHHPHSRNILD-TZMCWYRMSA-N 0 1 264.413 2.578 20 30 CFEDMN C=CCN1CCC[C@@H](NC(=O)c2ccoc2C2CC2)[C@H]1C ZINC000993702613 624161953 /nfs/dbraw/zinc/16/19/53/624161953.db2.gz JABHOIOXZDTOQQ-IUODEOHRSA-N 0 1 288.391 2.926 20 30 CFEDMN C=CCN1CCC[C@H](NC(=O)c2ccn(CC)c2C)[C@@H]1C ZINC000993703771 624163617 /nfs/dbraw/zinc/16/36/17/624163617.db2.gz NCCYDFVXWOQLHU-HOCLYGCPSA-N 0 1 289.423 2.585 20 30 CFEDMN C#CCN1CCC[C@@H](NC(=O)c2ccc(CCC)cc2)[C@H]1C ZINC000993729819 624165120 /nfs/dbraw/zinc/16/51/20/624165120.db2.gz QJKURSXOKNPRSF-CRAIPNDOSA-N 0 1 298.430 2.855 20 30 CFEDMN C#CCCN1CCC[C@H](NC(=O)c2occc2Cl)[C@H]1C ZINC000993782549 624167693 /nfs/dbraw/zinc/16/76/93/624167693.db2.gz ZVACPZWSYHRBPA-YPMHNXCESA-N 0 1 294.782 2.539 20 30 CFEDMN C#CCN1CCC[C@@H](NC(=O)c2c(C)cccc2C)[C@@H]1C ZINC000993851988 624170996 /nfs/dbraw/zinc/17/09/96/624170996.db2.gz YIXWWJQFURQNRG-JKSUJKDBSA-N 0 1 284.403 2.519 20 30 CFEDMN C=CCN1CCC[C@H](NC(=O)c2ccc(C)cc2F)[C@H]1C ZINC000993870355 624173869 /nfs/dbraw/zinc/17/38/69/624173869.db2.gz GACZPQYMAAUPDM-CJNGLKHVSA-N 0 1 290.382 2.903 20 30 CFEDMN C=CC[N@@H+]1CCC[C@@H](NC(=O)c2oc(CC)cc2C)[C@H]1C ZINC000994234404 624184361 /nfs/dbraw/zinc/18/43/61/624184361.db2.gz UEXGTKLWBMQTRH-UKRRQHHQSA-N 0 1 290.407 2.919 20 30 CFEDMN C=CCN1CCC[C@@H](NC(=O)c2oc(CC)cc2C)[C@H]1C ZINC000994234404 624184364 /nfs/dbraw/zinc/18/43/64/624184364.db2.gz UEXGTKLWBMQTRH-UKRRQHHQSA-N 0 1 290.407 2.919 20 30 CFEDMN Cc1nc(C=NNc2nnc(-c3ccccc3)n2C)cs1 ZINC000915968508 624195873 /nfs/dbraw/zinc/19/58/73/624195873.db2.gz IXUFSAIQMHGRGZ-UHFFFAOYSA-N 0 1 298.375 2.693 20 30 CFEDMN Cc1ccc(-c2n[nH]cc2C=NNc2cc(C)nc(C)n2)o1 ZINC000915968055 624195912 /nfs/dbraw/zinc/19/59/12/624195912.db2.gz QUWCPRLLGSSKLG-UHFFFAOYSA-N 0 1 296.334 2.831 20 30 CFEDMN COc1cccc(O)c1C=NNc1nc2ccccc2n1C ZINC000915971179 624197386 /nfs/dbraw/zinc/19/73/86/624197386.db2.gz HOQMTPLABDKUIY-UHFFFAOYSA-N 0 1 296.330 2.734 20 30 CFEDMN Cc1ccc(C)c(C=NNCCN2CCCCC2)c1 ZINC000915973710 624198840 /nfs/dbraw/zinc/19/88/40/624198840.db2.gz LWHIROAFAMVBJZ-UHFFFAOYSA-N 0 1 259.397 2.713 20 30 CFEDMN C(=NNCCN1CCCCC1)c1cccc2cccnc12 ZINC000915974750 624199825 /nfs/dbraw/zinc/19/98/25/624199825.db2.gz KSIPUVQPAMUBRP-UHFFFAOYSA-N 0 1 282.391 2.644 20 30 CFEDMN CC(=NNCCN1CCCCC1)c1cc(F)ccc1F ZINC000915974965 624200098 /nfs/dbraw/zinc/20/00/98/624200098.db2.gz YDRGZPPDQLQVOP-UHFFFAOYSA-N 0 1 281.350 2.764 20 30 CFEDMN CC#CCN1CCC[C@@H](NC(=O)[C@H]2CC[C@H](C)CC2)[C@@H]1C ZINC000994253155 624241204 /nfs/dbraw/zinc/24/12/04/624241204.db2.gz QUYDUTMXQHAIMP-LUKYLMHMSA-N 0 1 290.451 2.805 20 30 CFEDMN C=CCN1CCC[C@@H](NC(=O)c2ccc(C)cc2)[C@H]1C ZINC000994295239 624274070 /nfs/dbraw/zinc/27/40/70/624274070.db2.gz ISVVWXVSBGPXRC-GDBMZVCRSA-N 0 1 272.392 2.764 20 30 CFEDMN CC#CCN1CCC[C@@H](NC(=O)c2cc(C)ccc2C)[C@H]1C ZINC000994294240 624275206 /nfs/dbraw/zinc/27/52/06/624275206.db2.gz DSIIXVGYLQSBEG-SJLPKXTDSA-N 0 1 298.430 2.909 20 30 CFEDMN C#CCN1CCC[C@@H](NC(=O)c2c(C)cc(C)cc2C)[C@H]1C ZINC000994360529 624277256 /nfs/dbraw/zinc/27/72/56/624277256.db2.gz AWLSQVYCMWXOJX-IAGOWNOFSA-N 0 1 298.430 2.828 20 30 CFEDMN C[C@@H](CC(=O)C(C#N)C(=O)N1CCCC1)CC(C)(C)C ZINC000916870967 624289245 /nfs/dbraw/zinc/28/92/45/624289245.db2.gz HBMXPNRIVCNKDJ-QWHCGFSZSA-N 0 1 278.396 2.780 20 30 CFEDMN C[C@H](CC(=O)C(C#N)C(=O)N1CCCC1)CC(C)(C)C ZINC000916870964 624289412 /nfs/dbraw/zinc/28/94/12/624289412.db2.gz HBMXPNRIVCNKDJ-CHWSQXEVSA-N 0 1 278.396 2.780 20 30 CFEDMN Cc1cc(C(C#N)C(=O)CCC(C)(F)F)nc(C)n1 ZINC000916880107 624290423 /nfs/dbraw/zinc/29/04/23/624290423.db2.gz KGTDCYCYLKTBIY-JTQLQIEISA-N 0 1 267.279 2.705 20 30 CFEDMN N#CC(C(=O)CC1CC1)C(=O)Nc1ccc(Cl)cc1 ZINC000916884507 624290835 /nfs/dbraw/zinc/29/08/35/624290835.db2.gz CUKRXNDDFRACET-LBPRGKRZSA-N 0 1 276.723 2.787 20 30 CFEDMN CCC(CC)C(=O)C(C#N)C(=O)Nc1ccccc1OC ZINC000916930018 624292819 /nfs/dbraw/zinc/29/28/19/624292819.db2.gz GWYXGKHVVXRLMI-GFCCVEGCSA-N 0 1 288.347 2.779 20 30 CFEDMN CC#CCN1CCC[C@H](NC(=O)Cc2ccccc2C)[C@H]1C ZINC000994400856 624293173 /nfs/dbraw/zinc/29/31/73/624293173.db2.gz NCRYWBIPBALMSX-AEFFLSMTSA-N 0 1 298.430 2.530 20 30 CFEDMN C=CCN1CCC[C@@H](NC(=O)c2cccn2C(C)C)[C@@H]1C ZINC000994427042 624294686 /nfs/dbraw/zinc/29/46/86/624294686.db2.gz UQJZITTZDKLTLV-LSDHHAIUSA-N 0 1 289.423 2.838 20 30 CFEDMN C#CCN1CCC[C@@H](NC(=O)c2ccc(C3CC3)cc2)[C@@H]1C ZINC000994448514 624298930 /nfs/dbraw/zinc/29/89/30/624298930.db2.gz FMUKNFVZANXAJQ-KBXCAEBGSA-N 0 1 296.414 2.780 20 30 CFEDMN Clc1cc(CN=Nc2ccccn2)cc2c1OCO2 ZINC000917025671 624300702 /nfs/dbraw/zinc/30/07/02/624300702.db2.gz BJKIZDVTIXOZDQ-UHFFFAOYSA-N 0 1 275.695 2.910 20 30 CFEDMN C=CCN1CCC[C@H](NC(=O)c2c(C)nsc2C)[C@@H]1C ZINC000994472915 624306694 /nfs/dbraw/zinc/30/66/94/624306694.db2.gz NOTJRMIJVPAHFS-AAEUAGOBSA-N 0 1 293.436 2.529 20 30 CFEDMN C=CCN(CC(=O)NCc1ccc(C)c(F)c1)C(C)C ZINC000917070896 624308039 /nfs/dbraw/zinc/30/80/39/624308039.db2.gz JMQYJJACNWSMFI-UHFFFAOYSA-N 0 1 278.371 2.647 20 30 CFEDMN C=CCN(CC(=O)N(C)[C@@H](C)CC(C)C)C(C)C ZINC000917168732 624320676 /nfs/dbraw/zinc/32/06/76/624320676.db2.gz YSNXLDCZNNLLMY-AWEZNQCLSA-N 0 1 254.418 2.776 20 30 CFEDMN C=CCCCC(=O)N1CCc2nc[nH]c2C12CCC2 ZINC000829078878 624368094 /nfs/dbraw/zinc/36/80/94/624368094.db2.gz AXLPAXYLQADVJT-UHFFFAOYSA-N 0 1 259.353 2.530 20 30 CFEDMN C#CC[C@H]1CCCN(CC(=O)N2c3ccccc3C[C@H]2C)C1 ZINC000829768571 624527334 /nfs/dbraw/zinc/52/73/34/624527334.db2.gz GNETYCFNXXWXAJ-CVEARBPZSA-N 0 1 296.414 2.700 20 30 CFEDMN C#CC[C@@H]1CCCN(Cc2nc(-c3ccco3)no2)C1 ZINC000829768595 624527345 /nfs/dbraw/zinc/52/73/45/624527345.db2.gz HFHSEBUQJOFHAE-GFCCVEGCSA-N 0 1 271.320 2.565 20 30 CFEDMN C#CC[C@H]1CCCN(CC(=O)Nc2ccccc2C)C1 ZINC000829774692 624530923 /nfs/dbraw/zinc/53/09/23/624530923.db2.gz SBSVRJKCQPSPJH-HNNXBMFYSA-N 0 1 270.376 2.669 20 30 CFEDMN C#CC[C@@H]1CCCN(CC(=O)Nc2cccc(C)c2)C1 ZINC000829778800 624533289 /nfs/dbraw/zinc/53/32/89/624533289.db2.gz HLDYOUAEGYDRRB-OAHLLOKOSA-N 0 1 270.376 2.669 20 30 CFEDMN C#CC[C@H]1CCCN(CC(=O)Nc2ccc(CC)cc2)C1 ZINC000829788618 624538430 /nfs/dbraw/zinc/53/84/30/624538430.db2.gz BRYQIBASOYPJAK-INIZCTEOSA-N 0 1 284.403 2.923 20 30 CFEDMN N#CCOc1ccc(CN2CCOC[C@@H]2C2CCC2)cc1 ZINC000830234751 624680445 /nfs/dbraw/zinc/68/04/45/624680445.db2.gz IPEIFZDSSXYENN-QGZVFWFLSA-N 0 1 286.375 2.590 20 30 CFEDMN C#CC1CCN(Cc2nnc(-c3ccc(C)cc3)o2)CC1 ZINC000830316410 624706068 /nfs/dbraw/zinc/70/60/68/624706068.db2.gz QWPYAKBHEAZSEE-UHFFFAOYSA-N 0 1 281.359 2.890 20 30 CFEDMN CC1(C)CC(=NNc2ncnc3[nH]cnc32)c2ccccc21 ZINC000920373919 624715850 /nfs/dbraw/zinc/71/58/50/624715850.db2.gz QZJWXBFAWNEZLX-UHFFFAOYSA-N 0 1 292.346 2.850 20 30 CFEDMN C#CC1CCN(Cc2cc(C(=O)OC)ccc2Cl)CC1 ZINC000830345882 624716154 /nfs/dbraw/zinc/71/61/54/624716154.db2.gz XSOOXXFHOYZQSM-UHFFFAOYSA-N 0 1 291.778 2.972 20 30 CFEDMN COc1ccc(NC(=O)c2[nH]cnc2C(C)(C)C)cc1C#N ZINC000830413378 624738225 /nfs/dbraw/zinc/73/82/25/624738225.db2.gz PGFDCLPVBVIDCE-UHFFFAOYSA-N 0 1 298.346 2.840 20 30 CFEDMN C[C@@H]1CCCC[C@@H]1CC(=O)C(C#N)C(=O)N1CCCC1 ZINC000920790079 624771799 /nfs/dbraw/zinc/77/17/99/624771799.db2.gz OELPAVZHRVMIHC-MGPQQGTHSA-N 0 1 276.380 2.534 20 30 CFEDMN Cc1cc(NC=C2C(=O)CC3(CCCCC3)CC2=O)[nH]n1 ZINC000920976880 624794623 /nfs/dbraw/zinc/79/46/23/624794623.db2.gz ZTSMQZJFJYNDJQ-UHFFFAOYSA-N 0 1 287.363 2.896 20 30 CFEDMN C#C[C@@H]1CCCC[C@H]1OC(=O)c1ccc(-c2nnc[nH]2)cc1 ZINC000851536318 634416232 /nfs/dbraw/zinc/41/62/32/634416232.db2.gz GPYPOOAQSRHKCN-IUODEOHRSA-N 0 1 295.342 2.821 20 30 CFEDMN CC(C)NC(=O)[C@H](C#N)C(=O)CC1CCCCCC1 ZINC000175113501 624927335 /nfs/dbraw/zinc/92/73/35/624927335.db2.gz DUALSJKBMAHIGT-CYBMUJFWSA-N 0 1 264.369 2.580 20 30 CFEDMN N#CC(C(=O)CCC1CCC1)c1nnc2n1CCCCC2 ZINC000175121280 624927785 /nfs/dbraw/zinc/92/77/85/624927785.db2.gz KNMWXVVDKFGXNQ-CYBMUJFWSA-N 0 1 286.379 2.761 20 30 CFEDMN CCCCCc1cc(C(=O)Nc2cc(C#N)ccc2O)n[nH]1 ZINC000831271563 624980564 /nfs/dbraw/zinc/98/05/64/624980564.db2.gz JHFFYZNKWZXQQT-UHFFFAOYSA-N 0 1 298.346 2.972 20 30 CFEDMN COC(=O)C1(C#N)CCN([C@H]2C=CCCCCC2)CC1 ZINC000831699105 625100016 /nfs/dbraw/zinc/10/00/16/625100016.db2.gz HMYDGCGNJMLNFW-AWEZNQCLSA-N 0 1 276.380 2.654 20 30 CFEDMN Cn1cc(N=NCc2cccc(Br)c2)cn1 ZINC000761867046 626866599 /nfs/dbraw/zinc/86/65/99/626866599.db2.gz AIYBYJFEPLNCDQ-UHFFFAOYSA-N 0 1 279.141 2.629 20 30 CFEDMN CC(C)c1cc([C@H]2CCCN(C(=O)[C@@H](C)CC#N)C2)n[nH]1 ZINC000831879689 625163087 /nfs/dbraw/zinc/16/30/87/625163087.db2.gz NDHGTHDJFOMCJH-STQMWFEESA-N 0 1 288.395 2.789 20 30 CFEDMN CC[C@@H](C#N)C(=O)N1CCC[C@@H](c2cc(C(C)C)[nH]n2)C1 ZINC000831884002 625165967 /nfs/dbraw/zinc/16/59/67/625165967.db2.gz DKIKYFSWHGMODG-QWHCGFSZSA-N 0 1 288.395 2.789 20 30 CFEDMN C[C@@H]1CN(C(=O)C(C)(C)C)C[C@@H]1NCc1ccccc1C#N ZINC000939584813 625166860 /nfs/dbraw/zinc/16/68/60/625166860.db2.gz HOEXBKJVTQGKCR-CJNGLKHVSA-N 0 1 299.418 2.541 20 30 CFEDMN CC(C)c1cc([C@@H]2CCCN(C(=O)CCCC#N)C2)n[nH]1 ZINC000831884803 625166918 /nfs/dbraw/zinc/16/69/18/625166918.db2.gz KIRZDOGZAJYNIK-CYBMUJFWSA-N 0 1 288.395 2.933 20 30 CFEDMN CC(C)C[C@H](C)CC(=O)[C@@H](C#N)C(=O)NC1CCCC1 ZINC000070033849 625258157 /nfs/dbraw/zinc/25/81/57/625258157.db2.gz BETHONLBGCXWKS-GXTWGEPZSA-N 0 1 278.396 2.826 20 30 CFEDMN C=C(Cl)CN[C@@H]1CN(C(=O)[C@H](C)CC)CC1(C)C ZINC000995499804 625729413 /nfs/dbraw/zinc/72/94/13/625729413.db2.gz NWQXTEBNZXDLEY-ZYHUDNBSSA-N 0 1 272.820 2.612 20 30 CFEDMN C=C(Cl)CN[C@H]1CN(C(=O)CC2CCC2)CC1(C)C ZINC000995596383 625743449 /nfs/dbraw/zinc/74/34/49/625743449.db2.gz HBIWYKKNTDNTSO-ZDUSSCGKSA-N 0 1 284.831 2.756 20 30 CFEDMN C=C(Cl)CN[C@@H]1CN(C(=O)C=C2CCC2)CC1(C)C ZINC000995659089 625765587 /nfs/dbraw/zinc/76/55/87/625765587.db2.gz IIRDFTYLSQTDJI-CYBMUJFWSA-N 0 1 282.815 2.676 20 30 CFEDMN C=C(Cl)CN[C@@H]1CN(C(=O)C2(C3CC3)CC2)CC1(C)C ZINC000995934965 625861114 /nfs/dbraw/zinc/86/11/14/625861114.db2.gz OXRBVHAAWSZVHY-CYBMUJFWSA-N 0 1 296.842 2.756 20 30 CFEDMN C#Cc1cccc(CN[C@@H](C)c2nccnc2C)c1 ZINC000834901574 625915787 /nfs/dbraw/zinc/91/57/87/625915787.db2.gz AAPSOHMVZBLJFF-ZDUSSCGKSA-N 0 1 251.333 2.617 20 30 CFEDMN CC[C@H](C)CC=Nn1c(=O)c2ccccc2[nH]c1=S ZINC000834936693 625927600 /nfs/dbraw/zinc/92/76/00/625927600.db2.gz CHDFQYYCUUBENE-JTQLQIEISA-N 0 1 275.377 2.955 20 30 CFEDMN Cc1ccc([N+](=O)[O-])cc1N=NC1C[C@@H](C)n2ccnc21 ZINC000834947463 625931266 /nfs/dbraw/zinc/93/12/66/625931266.db2.gz BERNAWXVHICHEG-SNVBAGLBSA-N 0 1 285.307 2.881 20 30 CFEDMN CCN(C)c1ccc(C=NNCc2ccc(C)cc2)cn1 ZINC000835009589 625956000 /nfs/dbraw/zinc/95/60/00/625956000.db2.gz ZGFLRBRHMPTYMY-UHFFFAOYSA-N 0 1 282.391 2.970 20 30 CFEDMN C[C@H]1CC(N=Nc2ccc(C(=O)[O-])c(F)c2)C[N@H+]1C1CC1 ZINC000835010246 625956866 /nfs/dbraw/zinc/95/68/66/625956866.db2.gz UTDXNZSYMLEKRK-VIFPVBQESA-N 0 1 291.326 2.548 20 30 CFEDMN CC(C)[N@@H+]1CC(N=Nc2ccc(C(=O)[O-])cc2F)[C@@H](C)C1 ZINC000835012646 625958448 /nfs/dbraw/zinc/95/84/48/625958448.db2.gz RORXRBNCYMNCKF-JTQLQIEISA-N 0 1 293.342 2.652 20 30 CFEDMN Fc1cccc2c1CC[C@@H]2NN=C1CCN2CCC[C@H]12 ZINC000835019268 625965350 /nfs/dbraw/zinc/96/53/50/625965350.db2.gz ATEXQVIWDKFMMZ-GOEBONIOSA-N 0 1 273.355 2.627 20 30 CFEDMN CC[C@H](C)NC(=O)[C@@H](C)NCc1c(C)cc(C#N)cc1C ZINC000921617988 625995732 /nfs/dbraw/zinc/99/57/32/625995732.db2.gz HGAGEMOIONMFPD-UONOGXRCSA-N 0 1 287.407 2.568 20 30 CFEDMN C=C(Cl)CN1CCC[C@H](N(CC)C(=O)C2CC2)CC1 ZINC000997893958 626017797 /nfs/dbraw/zinc/01/77/97/626017797.db2.gz LDNAORPCCPFKQL-AWEZNQCLSA-N 0 1 284.831 2.852 20 30 CFEDMN C=CCN1CC[C@H](NC(=O)c2ccc(C(C)(C)C)cc2)C1 ZINC001016070038 626024125 /nfs/dbraw/zinc/02/41/25/626024125.db2.gz VQYNPGOTYAMJJW-INIZCTEOSA-N 0 1 286.419 2.974 20 30 CFEDMN C=CCCC[C@@H](NC(=O)C1=NC(=O)N(C)C1)c1ccccc1 ZINC000921646422 626039006 /nfs/dbraw/zinc/03/90/06/626039006.db2.gz SNZVTTDBEVJEER-CQSZACIVSA-N 0 1 299.374 2.953 20 30 CFEDMN C=C(Cl)CN[C@H]1CCCN(C(=O)C(CC)CC)C1 ZINC000998581729 626057146 /nfs/dbraw/zinc/05/71/46/626057146.db2.gz XMPYFCUVMBJSAM-ZDUSSCGKSA-N 0 1 272.820 2.756 20 30 CFEDMN C=C(Cl)CN[C@@H]1CCCN(C(=O)CCC2CCC2)C1 ZINC000998856506 626062936 /nfs/dbraw/zinc/06/29/36/626062936.db2.gz CSGAGQNWQGUCSG-CQSZACIVSA-N 0 1 284.831 2.900 20 30 CFEDMN C=C(Cl)CN[C@@H]1CCCN(C(=O)C2CC3(CCC3)C2)C1 ZINC000999942558 626084721 /nfs/dbraw/zinc/08/47/21/626084721.db2.gz CSXYCJDOOCCGQP-CQSZACIVSA-N 0 1 296.842 2.900 20 30 CFEDMN C=C(Cl)CN[C@H]1CCCN(C(=O)C2(CC)CC2)C1 ZINC001000102044 626087187 /nfs/dbraw/zinc/08/71/87/626087187.db2.gz GCURKHSMSUYHER-LBPRGKRZSA-N 0 1 270.804 2.510 20 30 CFEDMN C#CCN1CC=C(CNC(=O)[C@H]2CCC[C@H]2CCC)CC1 ZINC001000865384 626133676 /nfs/dbraw/zinc/13/36/76/626133676.db2.gz BGMCJCIKHFKNJJ-SJORKVTESA-N 0 1 288.435 2.584 20 30 CFEDMN CC#CCN1CC=C(CNC(=O)[C@H]2CCC[C@@H](C)C2)CC1 ZINC001001111516 626145562 /nfs/dbraw/zinc/14/55/62/626145562.db2.gz QPLIKNLZLWDAPF-WBVHZDCISA-N 0 1 288.435 2.584 20 30 CFEDMN CCc1nc[nH]c1C(=O)Nc1ccc(C2CC2)c(C#N)c1 ZINC000921826112 626148817 /nfs/dbraw/zinc/14/88/17/626148817.db2.gz SDUFIMPUGCGBHR-UHFFFAOYSA-N 0 1 280.331 2.973 20 30 CFEDMN Cc1cc(CNCc2c(C)cc(C#N)cc2C)ncn1 ZINC000921937351 626180847 /nfs/dbraw/zinc/18/08/47/626180847.db2.gz ANINWXYCKSDIPY-UHFFFAOYSA-N 0 1 266.348 2.563 20 30 CFEDMN C#CC[C@@H](NCc1cnn(CCF)c1)c1ccccc1 ZINC000921937026 626180919 /nfs/dbraw/zinc/18/09/19/626180919.db2.gz WHPBZXJJQVGCJK-MRXNPFEDSA-N 0 1 271.339 2.707 20 30 CFEDMN CCCCCCNC(=O)C(C#N)C(=O)[C@H](C)CCC ZINC000076818392 626182506 /nfs/dbraw/zinc/18/25/06/626182506.db2.gz MFTYISMVYYTHLG-OLZOCXBDSA-N 0 1 266.385 2.828 20 30 CFEDMN CC#CCN1CCC(NC(=O)[C@@H]2CCC=CCCC2)CC1 ZINC001003133464 626222739 /nfs/dbraw/zinc/22/27/39/626222739.db2.gz KAYJKKGAVHNWAN-MRXNPFEDSA-N 0 1 288.435 2.727 20 30 CFEDMN CC#CCN1CCC(NC(=O)[C@@H]2CCC[C@@H]2CCC)CC1 ZINC001003206899 626223763 /nfs/dbraw/zinc/22/37/63/626223763.db2.gz VBHRCFATEUAQCE-DOTOQJQBSA-N 0 1 290.451 2.807 20 30 CFEDMN CC#CCN1CCC(NC(=O)c2ccc(CC)s2)CC1 ZINC001003261188 626224298 /nfs/dbraw/zinc/22/42/98/626224298.db2.gz NCTUVBPVTNLKKS-UHFFFAOYSA-N 0 1 290.432 2.528 20 30 CFEDMN CCn1cc([C@@H](C)NCc2csc(C#N)c2)cn1 ZINC000922168871 626229427 /nfs/dbraw/zinc/22/94/27/626229427.db2.gz OBEZURUOXLNNTC-SNVBAGLBSA-N 0 1 260.366 2.687 20 30 CFEDMN N#Cc1ccc(Br)c(CN[C@H]2CC23CC3)c1 ZINC000922199301 626238702 /nfs/dbraw/zinc/23/87/02/626238702.db2.gz ZYIHKMJQTJDTMM-LBPRGKRZSA-N 0 1 277.165 2.963 20 30 CFEDMN CC#CCN1CCC(NC(=O)c2ccsc2Cl)CC1 ZINC001003745701 626252935 /nfs/dbraw/zinc/25/29/35/626252935.db2.gz SAOIYZRKMJKBSR-UHFFFAOYSA-N 0 1 296.823 2.619 20 30 CFEDMN CC#CCN1CCC(NC(=O)c2cccc(C)c2C)CC1 ZINC001004081685 626282374 /nfs/dbraw/zinc/28/23/74/626282374.db2.gz CORCDLAXCDIMSA-UHFFFAOYSA-N 0 1 284.403 2.521 20 30 CFEDMN CC#CCN1CCC(NC(=O)[C@@]2(C)CC=C(C)CC2)CC1 ZINC001004189887 626299464 /nfs/dbraw/zinc/29/94/64/626299464.db2.gz RHUKFJLOTBBZJC-SFHVURJKSA-N 0 1 288.435 2.727 20 30 CFEDMN CC#CCN1CCC(NC(=O)[C@@H](C)c2ccccc2C)CC1 ZINC001004188564 626301261 /nfs/dbraw/zinc/30/12/61/626301261.db2.gz HUDIRDIBRYNHNZ-INIZCTEOSA-N 0 1 298.430 2.702 20 30 CFEDMN C[C@@H]1CC[C@@H](C)N1CC(=O)OCC1CCC(C#N)CC1 ZINC000922661764 626336731 /nfs/dbraw/zinc/33/67/31/626336731.db2.gz CXHQTSXJEJDHIW-LMRVLLHPSA-N 0 1 278.396 2.732 20 30 CFEDMN CC(C)[C@H](C(=O)OCc1cc(Cl)cc(C#N)c1)N(C)C ZINC000922664938 626338164 /nfs/dbraw/zinc/33/81/64/626338164.db2.gz UDLFKDSDJJVVMQ-CQSZACIVSA-N 0 1 294.782 2.841 20 30 CFEDMN N#CC(C(=O)C[C@@H]1C=CCC1)c1nnc2n1CCCCC2 ZINC000073973364 626401280 /nfs/dbraw/zinc/40/12/80/626401280.db2.gz ZEKOHXDLHYKWOR-CHWSQXEVSA-N 0 1 284.363 2.537 20 30 CFEDMN C#CCN1CCC(N(C)C(=O)[C@@H]2CCC(C)=C(C)C2)CC1 ZINC001005447339 626415331 /nfs/dbraw/zinc/41/53/31/626415331.db2.gz INLRIVOOLPAVBU-MRXNPFEDSA-N 0 1 288.435 2.679 20 30 CFEDMN CC#CCN1CCC(N(C)C(=O)C[C@@H]2CCC[C@H]2C)CC1 ZINC001005433489 626415342 /nfs/dbraw/zinc/41/53/42/626415342.db2.gz OCHLPLFJWVXHAT-CVEARBPZSA-N 0 1 290.451 2.759 20 30 CFEDMN C#CCN1CCC(N(C)C(=O)c2cc(C)sc2C)CC1 ZINC001005674981 626419619 /nfs/dbraw/zinc/41/96/19/626419619.db2.gz DYSTZVSCJJIFMZ-UHFFFAOYSA-N 0 1 290.432 2.535 20 30 CFEDMN N#Cc1csc(CNC[C@@]2(c3ccccc3)CCCO2)n1 ZINC000922962669 626434713 /nfs/dbraw/zinc/43/47/13/626434713.db2.gz SVQKBGCSCKRYSM-MRXNPFEDSA-N 0 1 299.399 2.810 20 30 CFEDMN C=CC[C@@H]1CC[C@@H](NCc2noc3c2COCC3)C1 ZINC000923016016 626442680 /nfs/dbraw/zinc/44/26/80/626442680.db2.gz VFDYAATXOWURLJ-VXGBXAGGSA-N 0 1 262.353 2.582 20 30 CFEDMN CC[C@]1(C(=O)[O-])CCC[N@@H+](CCc2ccc(C#N)cc2)C1 ZINC000923470415 626474860 /nfs/dbraw/zinc/47/48/60/626474860.db2.gz PCKFBXGZNGVGHA-KRWDZBQOSA-N 0 1 286.375 2.678 20 30 CFEDMN C=CC[C@@H](NCc1cnn(C=C)c1)c1ccncc1 ZINC000774989264 626482955 /nfs/dbraw/zinc/48/29/55/626482955.db2.gz MNDSNBNUXAQDDV-OAHLLOKOSA-N 0 1 254.337 2.786 20 30 CFEDMN CC(C)CCCCC(=O)C(C#N)C(=O)N1CCCC1 ZINC000838785968 626506641 /nfs/dbraw/zinc/50/66/41/626506641.db2.gz AIYONPKXZPEUMT-CYBMUJFWSA-N 0 1 264.369 2.534 20 30 CFEDMN CC(C)CCCCC(=O)C(C#N)C(=O)N1CCCC1 ZINC000838785970 626506754 /nfs/dbraw/zinc/50/67/54/626506754.db2.gz AIYONPKXZPEUMT-ZDUSSCGKSA-N 0 1 264.369 2.534 20 30 CFEDMN CCC(CC)CN(CCC#N)CCC(=O)N1CCCC1 ZINC000838866321 626511892 /nfs/dbraw/zinc/51/18/92/626511892.db2.gz VVFJGPYXRMZCIE-UHFFFAOYSA-N 0 1 279.428 2.651 20 30 CFEDMN C#C[C@H](NCc1ccc(C2CC2)cc1)[C@H]1CCCO1 ZINC000839016665 626520761 /nfs/dbraw/zinc/52/07/61/626520761.db2.gz BRJUHQUKBZPIOF-DLBZAZTESA-N 0 1 255.361 2.834 20 30 CFEDMN CC[C@H](C(=O)O[C@H]1CCC[C@@H](C#N)C1)N(CC)CC ZINC000839051643 626521806 /nfs/dbraw/zinc/52/18/06/626521806.db2.gz LSDLNYWGLKNOOQ-HZSPNIEDSA-N 0 1 266.385 2.732 20 30 CFEDMN N#C[C@@H]1CCC[C@H](OC(=O)c2cccc(-c3nnc[nH]3)c2)C1 ZINC000839062100 626522472 /nfs/dbraw/zinc/52/24/72/626522472.db2.gz KRJBNKPDEJSSOJ-RISCZKNCSA-N 0 1 296.330 2.711 20 30 CFEDMN CC(C)(C)N1CC[C@](F)(C(=O)O[C@H]2CCC[C@@H](C#N)C2)C1 ZINC000839062586 626522485 /nfs/dbraw/zinc/52/24/85/626522485.db2.gz MZTZENMOUIBLLE-DVOMOZLQSA-N 0 1 296.386 2.824 20 30 CFEDMN C#Cc1cccc(CNCc2cnc(C3CC3)nc2)c1 ZINC000839127857 626527482 /nfs/dbraw/zinc/52/74/82/626527482.db2.gz QZWDAKFZBSNHLQ-UHFFFAOYSA-N 0 1 263.344 2.625 20 30 CFEDMN CCc1ccc(NC(=O)[C@@H](C#N)C(=O)c2cscn2)cc1 ZINC000103330100 626531325 /nfs/dbraw/zinc/53/13/25/626531325.db2.gz FAEMHKXWWSCCJF-LBPRGKRZSA-N 0 1 299.355 2.667 20 30 CFEDMN CCc1ccc(NC(=O)C(C#N)C(=O)c2cscn2)cc1 ZINC000103330100 626531326 /nfs/dbraw/zinc/53/13/26/626531326.db2.gz FAEMHKXWWSCCJF-LBPRGKRZSA-N 0 1 299.355 2.667 20 30 CFEDMN C#CCN1CCC(C(=O)O[C@H]2CCCC(C)(C)C2)CC1 ZINC000839442613 626536747 /nfs/dbraw/zinc/53/67/47/626536747.db2.gz SUDNWJUYVCWBEJ-HNNXBMFYSA-N 0 1 277.408 2.844 20 30 CFEDMN N#Cc1ccc(O)c(NC(=O)[C@@]23C[C@@H]2CCCC3)c1 ZINC000867012378 626536892 /nfs/dbraw/zinc/53/68/92/626536892.db2.gz GBBLRPGGUNYOME-NHYWBVRUSA-N 0 1 256.305 2.783 20 30 CFEDMN CN(Cc1csc2ccccc12)C[C@H](O)CC#N ZINC000809572660 626540752 /nfs/dbraw/zinc/54/07/52/626540752.db2.gz QHOJIHVPLWKSBM-GFCCVEGCSA-N 0 1 260.362 2.608 20 30 CFEDMN Cc1cccc2ncc(/C=C/C(=O)c3ccc(O)cc3O)n21 ZINC000757467050 626552916 /nfs/dbraw/zinc/55/29/16/626552916.db2.gz BFDZKJMEYXHJJX-VMPITWQZSA-N 0 1 294.310 2.950 20 30 CFEDMN C#CC[C@@H](NC(=O)c1[nH]nc2c1CCCC2)c1ccccc1 ZINC000757616136 626556422 /nfs/dbraw/zinc/55/64/22/626556422.db2.gz ZHWJIXBFBFHYLI-OAHLLOKOSA-N 0 1 293.370 2.783 20 30 CFEDMN C=CCN(Cc1ccc(C(=O)OC)s1)C(C)C ZINC000757816121 626563995 /nfs/dbraw/zinc/56/39/95/626563995.db2.gz IJBMKIUJAOPZJA-UHFFFAOYSA-N 0 1 253.367 2.931 20 30 CFEDMN Cc1oc2ccccc2c1C=NNC1=N[C@H]2CCCC[C@@H]2N1 ZINC000758119018 626577177 /nfs/dbraw/zinc/57/71/77/626577177.db2.gz LZVLCCPNFMHKDE-GJZGRUSLSA-N 0 1 296.374 2.935 20 30 CFEDMN CCCC[C@H](ON=C(C)C)C(=O)NCc1cc(CC)[nH]n1 ZINC000758150467 626578990 /nfs/dbraw/zinc/57/89/90/626578990.db2.gz DWKIQYILMOLGDU-AWEZNQCLSA-N 0 1 294.399 2.560 20 30 CFEDMN COC(=O)c1ccc(NN=Cc2cc(C)sc2C)nc1 ZINC000758146341 626579121 /nfs/dbraw/zinc/57/91/21/626579121.db2.gz SXUMNPUFALNXPC-UHFFFAOYSA-N 0 1 289.360 2.993 20 30 CFEDMN CCCCN(Cn1cccc(C#N)c1=O)[C@@H](C)CC ZINC000758207930 626582483 /nfs/dbraw/zinc/58/24/83/626582483.db2.gz VHBLYVSYLIYHEO-ZDUSSCGKSA-N 0 1 261.369 2.578 20 30 CFEDMN C#CCNC(=S)Nc1ccccc1SC[C@@H](C)C#N ZINC000758236803 626584331 /nfs/dbraw/zinc/58/43/31/626584331.db2.gz ZTDAOCGALVXSGN-NSHDSACASA-N 0 1 289.429 2.858 20 30 CFEDMN C[C@H]1CN(Cc2ccccn2)CCC1=NOCC(F)F ZINC000758899133 626615993 /nfs/dbraw/zinc/61/59/93/626615993.db2.gz FPIZZIHCXOTBSN-NSHDSACASA-N 0 1 283.322 2.561 20 30 CFEDMN Cc1cc(C(C#N)C(=O)CCCc2ccccn2)nc(C)n1 ZINC000759202904 626636251 /nfs/dbraw/zinc/63/62/51/626636251.db2.gz BTMABVIVXKFVDZ-HNNXBMFYSA-N 0 1 294.358 2.688 20 30 CFEDMN COc1ccc(NC(=O)C(C#N)C(=O)CC2(C)CC2)cc1 ZINC000759433758 626658486 /nfs/dbraw/zinc/65/84/86/626658486.db2.gz CEJWRDCADGGHDI-CYBMUJFWSA-N 0 1 286.331 2.533 20 30 CFEDMN N#Cc1ccc(O)c(NC(=O)/C=C/c2ccsc2)c1 ZINC000759712860 626686459 /nfs/dbraw/zinc/68/64/59/626686459.db2.gz BAKCZYVYUSYZGN-DUXPYHPUSA-N 0 1 270.313 2.977 20 30 CFEDMN C(=NNCCN1CCCCC1)c1cnc(C2CCC2)s1 ZINC000760241289 626722656 /nfs/dbraw/zinc/72/26/56/626722656.db2.gz CABKMUQQNHUXJU-UHFFFAOYSA-N 0 1 292.452 2.820 20 30 CFEDMN CC[C@H](Oc1ccccc1F)C(=O)C(C#N)c1ccncn1 ZINC000760335966 626735742 /nfs/dbraw/zinc/73/57/42/626735742.db2.gz WVIJRWMAMBQFOE-RISCZKNCSA-N 0 1 299.305 2.650 20 30 CFEDMN N#CC(C(=O)C[C@@H]1CCc2ccccc21)c1ccncn1 ZINC000760341824 626736824 /nfs/dbraw/zinc/73/68/24/626736824.db2.gz VWURVJSDYGTEQP-DZGCQCFKSA-N 0 1 277.327 2.773 20 30 CFEDMN N#CC(C(=O)C=CSCc1ccco1)c1ccncn1 ZINC000760340889 626737084 /nfs/dbraw/zinc/73/70/84/626737084.db2.gz OXMXYUJYTBMMPH-NTYUQYKDSA-N 0 1 285.328 2.693 20 30 CFEDMN N#C[C@H](C(=O)[C@H]1C[C@H]1c1cccc(F)c1F)c1ccncn1 ZINC000760344353 626737560 /nfs/dbraw/zinc/73/75/60/626737560.db2.gz HFUFTNKWCCGYLC-SRVKXCTJSA-N 0 1 299.280 2.735 20 30 CFEDMN CC[C@H](Oc1cccc(C)c1)C(=O)C(C#N)c1ccncn1 ZINC000760347972 626737826 /nfs/dbraw/zinc/73/78/26/626737826.db2.gz YRIIPZMPYPLLDD-ZBFHGGJFSA-N 0 1 295.342 2.819 20 30 CFEDMN C=CCCCCCCNC(=O)CN(C)[C@H]1CCSC1 ZINC000805218747 626792660 /nfs/dbraw/zinc/79/26/60/626792660.db2.gz LLWNUTRNTAUNFD-AWEZNQCLSA-N 0 1 284.469 2.676 20 30 CFEDMN C=CCCCCCCNC(=O)[C@H]1CCCCN1C ZINC000805218176 626796999 /nfs/dbraw/zinc/79/69/99/626796999.db2.gz UMEWTEODLMTSRL-CQSZACIVSA-N 0 1 252.402 2.723 20 30 CFEDMN CC(C)(C)CN(CCC#N)CC[C@@H]1COC(C)(C)O1 ZINC000851779678 634524982 /nfs/dbraw/zinc/52/49/82/634524982.db2.gz CDBUJSQZUNXKDW-CYBMUJFWSA-N 0 1 268.401 2.790 20 30 CFEDMN CCO[C@@H](CC(=O)Nc1cc(C#N)ccc1O)C(C)C ZINC000761573987 626847992 /nfs/dbraw/zinc/84/79/92/626847992.db2.gz VCWJIINCZFJBAJ-AWEZNQCLSA-N 0 1 276.336 2.654 20 30 CFEDMN CCc1nc2c(s1)C(N=Nc1cnn(C)c1)CCC2 ZINC000761860992 626865318 /nfs/dbraw/zinc/86/53/18/626865318.db2.gz QZNZZQBXHACRJT-UHFFFAOYSA-N 0 1 275.381 2.592 20 30 CFEDMN CC(N=Nc1cnn(C)c1)c1cnn(Cc2ccccc2)c1 ZINC000761872175 626867528 /nfs/dbraw/zinc/86/75/28/626867528.db2.gz ZSMPUKHGWWLDQV-UHFFFAOYSA-N 0 1 294.362 2.501 20 30 CFEDMN CCc1nc([C@@H](C)NCc2ccc(O[C@H](C)C#N)cc2)n[nH]1 ZINC000762627451 626927002 /nfs/dbraw/zinc/92/70/02/626927002.db2.gz IQVVQCWEBAGBGY-VXGBXAGGSA-N 0 1 299.378 2.509 20 30 CFEDMN CCc1nc([C@H](C)NCc2ccc(O[C@@H](C)C#N)cc2)n[nH]1 ZINC000762627450 626927393 /nfs/dbraw/zinc/92/73/93/626927393.db2.gz IQVVQCWEBAGBGY-RYUDHWBXSA-N 0 1 299.378 2.509 20 30 CFEDMN C[C@@H]1CC(=NC(=O)c2cc3c(s2)CC[C@H](C)C3)NO1 ZINC000763257317 626973843 /nfs/dbraw/zinc/97/38/43/626973843.db2.gz BOHIONWXJXYAFW-DTWKUNHWSA-N 0 1 278.377 2.725 20 30 CFEDMN C#CCOc1ccc(CNCc2ccc(F)cn2)cc1 ZINC000763519486 626993463 /nfs/dbraw/zinc/99/34/63/626993463.db2.gz RKUQEIJAGJQFJH-UHFFFAOYSA-N 0 1 270.307 2.523 20 30 CFEDMN CCC(CC)CN(CCC#N)C[C@H]1CC2(CC2)C(=O)O1 ZINC000763695647 627006687 /nfs/dbraw/zinc/00/66/87/627006687.db2.gz HCIZEDTXSKVTPO-CQSZACIVSA-N 0 1 278.396 2.734 20 30 CFEDMN C#CCOCC[N@@H+]1CCC[C@@H]1c1nc2ccccc2n1CC ZINC000851806644 634541616 /nfs/dbraw/zinc/54/16/16/634541616.db2.gz UGEHVVTVYDDMFI-QGZVFWFLSA-N 0 1 297.402 2.843 20 30 CFEDMN C#CCOCCN1CCC[C@@H]1c1nc2ccccc2n1CC ZINC000851806644 634541619 /nfs/dbraw/zinc/54/16/19/634541619.db2.gz UGEHVVTVYDDMFI-QGZVFWFLSA-N 0 1 297.402 2.843 20 30 CFEDMN C#CCN(Cc1cc(Cl)c2c(c1)OCCO2)C1CC1 ZINC000763955810 627026304 /nfs/dbraw/zinc/02/63/04/627026304.db2.gz RQCNRCPKAZQZDH-UHFFFAOYSA-N 0 1 277.751 2.709 20 30 CFEDMN C#CCNC(=O)[C@H](C)N(CC)Cc1ccc2ccccc2c1 ZINC000764201323 627044420 /nfs/dbraw/zinc/04/44/20/627044420.db2.gz OEIIUAPMOIGWHE-HNNXBMFYSA-N 0 1 294.398 2.800 20 30 CFEDMN C#CCN(Cc1c[nH]nc1-c1ccc(C)cc1)C1CC1 ZINC000764676199 627083214 /nfs/dbraw/zinc/08/32/14/627083214.db2.gz GITIFXPSDQMOHA-UHFFFAOYSA-N 0 1 265.360 2.983 20 30 CFEDMN COCc1ccc(C=N[N-]c2[nH+]c3ccccc3n2C)o1 ZINC000764683212 627083772 /nfs/dbraw/zinc/08/37/72/627083772.db2.gz QZTJXGVSRGVBII-UHFFFAOYSA-N 0 1 284.319 2.759 20 30 CFEDMN C=CCNC(=O)C(C#N)C(=O)[C@H](CC)C1CCC(C)CC1 ZINC000764759765 627090990 /nfs/dbraw/zinc/09/09/90/627090990.db2.gz JRLYMKVPMLVFJF-NEXFUWMNSA-N 0 1 290.407 2.850 20 30 CFEDMN CC(C)O[C@H]1CC(=NNCCN2CCCCC2)C1(C)C ZINC000764905285 627105776 /nfs/dbraw/zinc/10/57/76/627105776.db2.gz SFVAIIFWPQDQJV-HNNXBMFYSA-N 0 1 281.444 2.641 20 30 CFEDMN Cc1ccc(NC(=S)NN=C2CCN3CCC[C@H]23)cc1 ZINC000765556785 627147308 /nfs/dbraw/zinc/14/73/08/627147308.db2.gz YHDAZXFWGRBOQN-CQSZACIVSA-N 0 1 288.420 2.506 20 30 CFEDMN CCN1C[C@H](C)N(C(=O)/C=C\c2ccccc2C#N)C[C@H]1C ZINC000765932574 627164983 /nfs/dbraw/zinc/16/49/83/627164983.db2.gz NELDPHORCSIDLS-TWEVIJGYSA-N 0 1 297.402 2.513 20 30 CFEDMN COc1ccc(N=NCc2ccc(C#N)c(C)c2)nc1 ZINC000766477571 627205171 /nfs/dbraw/zinc/20/51/71/627205171.db2.gz IVLBROXHEAMMES-UHFFFAOYSA-N 0 1 266.304 2.716 20 30 CFEDMN C[C@H]1CCC[C@@H](N(C)Cn2cc3c(c(C#N)c2=O)CCC3)C1 ZINC000766611468 627211067 /nfs/dbraw/zinc/21/10/67/627211067.db2.gz GBSUTDTUQZVXLE-DZGCQCFKSA-N 0 1 299.418 2.677 20 30 CFEDMN C[C@@H]1CCC[C@H](C)C[N@@H+]1Cn1cc2c(c(C#N)c1=O)CCC2 ZINC000766636642 627212533 /nfs/dbraw/zinc/21/25/33/627212533.db2.gz IGRUDOUGIHUSBN-UONOGXRCSA-N 0 1 299.418 2.677 20 30 CFEDMN C[C@@H]1CCC[C@H](C)CN1Cn1cc2c(c(C#N)c1=O)CCC2 ZINC000766636642 627212536 /nfs/dbraw/zinc/21/25/36/627212536.db2.gz IGRUDOUGIHUSBN-UONOGXRCSA-N 0 1 299.418 2.677 20 30 CFEDMN C#CCCCON=C(N)c1ccc(N2CCCCC2)cc1 ZINC000766750834 627219181 /nfs/dbraw/zinc/21/91/81/627219181.db2.gz OEMOGYLUQGZMGE-UHFFFAOYSA-N 0 1 285.391 2.727 20 30 CFEDMN C[C@H](c1ccccc1)[C@@H](CO)NCc1ccc(F)cc1C#N ZINC000766970453 627229074 /nfs/dbraw/zinc/22/90/74/627229074.db2.gz GTVOPQVHUATDTH-FZKQIMNGSA-N 0 1 298.361 2.952 20 30 CFEDMN C[C@@H]1CCC(=NNCCN2CCCCC2)C[C@@H]1C ZINC000767370380 627245821 /nfs/dbraw/zinc/24/58/21/627245821.db2.gz FINNBXYLSCXGEK-KGLIPLIRSA-N 0 1 251.418 2.874 20 30 CFEDMN Cc1cc(CNCc2cccc(F)n2)ccc1C#N ZINC000767687434 627274968 /nfs/dbraw/zinc/27/49/68/627274968.db2.gz TUSTYXUQAOVFKI-UHFFFAOYSA-N 0 1 255.296 2.691 20 30 CFEDMN C#CCCN(Cc1[nH]nc2ccccc21)CC(F)(F)F ZINC000768535105 627352053 /nfs/dbraw/zinc/35/20/53/627352053.db2.gz VLQAQWKLMUNQFQ-UHFFFAOYSA-N 0 1 281.281 2.951 20 30 CFEDMN C#CCN(Cc1cnc(N(C)C)s1)C1CCCCC1 ZINC000769146406 627407157 /nfs/dbraw/zinc/40/71/57/627407157.db2.gz VUDCJDPJXBMKCJ-UHFFFAOYSA-N 0 1 277.437 2.977 20 30 CFEDMN COc1cccc(-c2n[nH]cc2CN2CCC(C#N)CC2)c1 ZINC000769192620 627411634 /nfs/dbraw/zinc/41/16/34/627411634.db2.gz MGWOVTZTYRMNME-UHFFFAOYSA-N 0 1 296.374 2.821 20 30 CFEDMN C[C@H]1C[C@@H]1C(=O)C(C#N)C(=O)Nc1ccc(Cl)cc1 ZINC000769280699 627418678 /nfs/dbraw/zinc/41/86/78/627418678.db2.gz CZISPGHDONARJA-UWJYBYFXSA-N 0 1 276.723 2.643 20 30 CFEDMN CC1(C2CCN(Cc3cc(C#N)cs3)CC2)OCCO1 ZINC000769400567 627434386 /nfs/dbraw/zinc/43/43/86/627434386.db2.gz UKTGPKHUWZVJBW-UHFFFAOYSA-N 0 1 292.404 2.595 20 30 CFEDMN C#CCN(Cc1cccc(OCC)n1)C1CCCC1 ZINC000769529831 627452334 /nfs/dbraw/zinc/45/23/34/627452334.db2.gz FNALMOBTSDIORA-UHFFFAOYSA-N 0 1 258.365 2.858 20 30 CFEDMN Cn1cc(CN=Nc2ccccn2)c(C(C)(C)C)n1 ZINC000769569556 627456880 /nfs/dbraw/zinc/45/68/80/627456880.db2.gz SCQYQARVKCEINB-UHFFFAOYSA-N 0 1 257.341 2.559 20 30 CFEDMN C[C@@H]1CC(N=Nc2c(F)cccc2Cl)CN1C ZINC000769826203 627479640 /nfs/dbraw/zinc/47/96/40/627479640.db2.gz AZNRZDSPGDRBBA-MRVPVSSYSA-N 0 1 255.724 2.971 20 30 CFEDMN CCn1c2ccccc2nc1CN[C@@H]1CC[C@@H](C#N)C1 ZINC000769945669 627490126 /nfs/dbraw/zinc/49/01/26/627490126.db2.gz RRWOIJXIYAPYNP-CHWSQXEVSA-N 0 1 268.364 2.838 20 30 CFEDMN C#CCOCCN[C@H](C)c1c(F)cccc1Cl ZINC000851906569 634582069 /nfs/dbraw/zinc/58/20/69/634582069.db2.gz OOUKRJNAKZJFTK-SNVBAGLBSA-N 0 1 255.720 2.780 20 30 CFEDMN Cc1cc2occ(C(=O)N=C3C[C@@H](C)ON3)c2cc1C ZINC000771440473 627604381 /nfs/dbraw/zinc/60/43/81/627604381.db2.gz MSMAVNKCNOHCGZ-SNVBAGLBSA-N 0 1 272.304 2.902 20 30 CFEDMN CC(C)CNN=C1CCN(Cc2ccccn2)C[C@@H]1C ZINC000771566782 627614534 /nfs/dbraw/zinc/61/45/34/627614534.db2.gz JLULXURRFKDWQL-AWEZNQCLSA-N 0 1 274.412 2.525 20 30 CFEDMN C#CCCOC(=O)c1[nH]c(-c2cccc(C)c2)nc1C ZINC000772645436 627731058 /nfs/dbraw/zinc/73/10/58/627731058.db2.gz SEIDAOUANAXHNL-UHFFFAOYSA-N 0 1 268.316 2.874 20 30 CFEDMN C#C[C@H](C)OC(=O)c1[nH]c(-c2cccc(C)c2)nc1C ZINC000772671841 627733942 /nfs/dbraw/zinc/73/39/42/627733942.db2.gz WIEVOMVOXHXIMW-NSHDSACASA-N 0 1 268.316 2.872 20 30 CFEDMN Cc1ncsc1C(=O)/C=C\c1cc(O)ccc1[N+](=O)[O-] ZINC000772807642 627747088 /nfs/dbraw/zinc/74/70/88/627747088.db2.gz RNTMDMXBEMNVPF-DJWKRKHSSA-N 0 1 290.300 2.961 20 30 CFEDMN C=C(Cl)CN[C@H](C)c1cccc(N2CCOCC2)c1 ZINC000773006436 627767597 /nfs/dbraw/zinc/76/75/97/627767597.db2.gz XYSMXKAPCSYVDM-CYBMUJFWSA-N 0 1 280.799 2.926 20 30 CFEDMN C=C(C)[C@@H](NC[C@H]1CCC(=O)O1)c1ccc(F)c(F)c1 ZINC000851947320 634604090 /nfs/dbraw/zinc/60/40/90/634604090.db2.gz YYFBQFPKQOIKCZ-IAQYHMDHSA-N 0 1 281.302 2.877 20 30 CFEDMN C=Cn1cc(CN=Nc2ccc([N+](=O)[O-])cc2Cl)cn1 ZINC000773053965 627775372 /nfs/dbraw/zinc/77/53/72/627775372.db2.gz GMUCJTBKXXSFAK-UHFFFAOYSA-N 0 1 291.698 2.991 20 30 CFEDMN CC[C@@H](NCc1ccc(OC)c(C#N)c1)c1cnn(C)c1 ZINC000773085378 627781070 /nfs/dbraw/zinc/78/10/70/627781070.db2.gz XFUPVTAQYKGQCQ-OAHLLOKOSA-N 0 1 284.363 2.541 20 30 CFEDMN CCCCCNC(=O)[C@H](C#N)C(=O)[C@@H]1CCCC1(C)C ZINC000773967604 627874353 /nfs/dbraw/zinc/87/43/53/627874353.db2.gz AJLFLXXOHCWKNT-OLZOCXBDSA-N 0 1 278.396 2.828 20 30 CFEDMN Cc1cc(C(C#N)C(=O)[C@@H]2C[C@@H]2C(C)C)nc(C)n1 ZINC000773972887 627875228 /nfs/dbraw/zinc/87/52/28/627875228.db2.gz QNMAUFXOMZRAPF-UPJWGTAASA-N 0 1 257.337 2.562 20 30 CFEDMN CC(C)(C(=O)Nc1cc(C#N)ccc1O)c1ccccn1 ZINC000774081394 627885261 /nfs/dbraw/zinc/88/52/61/627885261.db2.gz LMONGULNGMIWDA-UHFFFAOYSA-N 0 1 281.315 2.575 20 30 CFEDMN Cc1cccc2nc([C@H](C#N)C(=O)C3CCC(=O)CC3)[nH]c21 ZINC000774107093 627888274 /nfs/dbraw/zinc/88/82/74/627888274.db2.gz ZOTOKPJXJHNGCU-CYBMUJFWSA-N 0 1 295.342 2.807 20 30 CFEDMN COC(=O)c1coc(/C=C/C(=O)c2ccc(O)c(F)c2)c1 ZINC000774140984 627893257 /nfs/dbraw/zinc/89/32/57/627893257.db2.gz WWTKACIILPJTAX-HWKANZROSA-N 0 1 290.246 2.807 20 30 CFEDMN CCCCCCCC(=O)N1CCC[C@H](C2N=NC(=O)O2)C1 ZINC000774215162 627904542 /nfs/dbraw/zinc/90/45/42/627904542.db2.gz AJBBTJOVBPQBQT-LBPRGKRZSA-N 0 1 295.383 2.842 20 30 CFEDMN CCCCCCCC(=O)N1CCC[C@H](c2n[nH]c(=O)o2)C1 ZINC000774215162 627904543 /nfs/dbraw/zinc/90/45/43/627904543.db2.gz AJBBTJOVBPQBQT-LBPRGKRZSA-N 0 1 295.383 2.842 20 30 CFEDMN CCCCCCCC(=O)N1CCC(c2n[nH]c(=O)o2)CC1 ZINC000774275603 627910954 /nfs/dbraw/zinc/91/09/54/627910954.db2.gz WRIJOPZUIXUGMM-UHFFFAOYSA-N 0 1 295.383 2.842 20 30 CFEDMN Cc1ccc(N[C@H]2CCC[C@@H](C#N)C2)c(N(C)C)n1 ZINC000774300938 627913499 /nfs/dbraw/zinc/91/34/99/627913499.db2.gz GGKYLQLDTQKXBK-OLZOCXBDSA-N 0 1 258.369 2.950 20 30 CFEDMN N#Cc1ccc(CN[C@H]2CCCNc3ccccc32)nc1 ZINC000774371262 627920060 /nfs/dbraw/zinc/92/00/60/627920060.db2.gz RMEQZFBZKGVVNK-KRWDZBQOSA-N 0 1 278.359 2.990 20 30 CFEDMN COc1cc(CNCc2ccc(C#N)cn2)ccc1C ZINC000775012394 627985049 /nfs/dbraw/zinc/98/50/49/627985049.db2.gz IGUBVAQPIHUQBO-UHFFFAOYSA-N 0 1 267.332 2.560 20 30 CFEDMN C#C[C@@H](NCc1cccc(OCCC)c1)[C@@H]1CCCO1 ZINC000775339681 628011426 /nfs/dbraw/zinc/01/14/26/628011426.db2.gz CWSNFUWHMYPLJP-SJORKVTESA-N 0 1 273.376 2.746 20 30 CFEDMN C#C[C@@H](NCc1ccc(Cl)cc1C)[C@H]1CCCO1 ZINC000775339952 628011441 /nfs/dbraw/zinc/01/14/41/628011441.db2.gz DYQBOZAXWPRUAK-HUUCEWRRSA-N 0 1 263.768 2.919 20 30 CFEDMN C#C[C@H](NCc1cccc(OCC(C)C)c1)[C@@H]1CCCO1 ZINC000775342662 628012277 /nfs/dbraw/zinc/01/22/77/628012277.db2.gz SDZDGLMCCANSIS-ROUUACIJSA-N 0 1 287.403 2.992 20 30 CFEDMN C#C[C@@H](NCc1cccc(Br)c1)[C@H]1CCCO1 ZINC000775342418 628012490 /nfs/dbraw/zinc/01/24/90/628012490.db2.gz QYJGFOYJRHBDCV-ZIAGYGMSSA-N 0 1 294.192 2.720 20 30 CFEDMN C#C[C@H](NCc1ccc(F)c(Cl)c1)[C@H]1CCCO1 ZINC000775342467 628012657 /nfs/dbraw/zinc/01/26/57/628012657.db2.gz RQGGUDHYRJZLAO-UONOGXRCSA-N 0 1 267.731 2.750 20 30 CFEDMN C#C[C@H](NCc1ccc2c(c1)CC(C)(C)O2)[C@H]1CCCO1 ZINC000775342298 628012927 /nfs/dbraw/zinc/01/29/27/628012927.db2.gz QFYSJMYCTXUUPH-DOTOQJQBSA-N 0 1 285.387 2.671 20 30 CFEDMN C#CCNC(=O)CN[C@@H](c1oc2ccccc2c1C)C(C)C ZINC000775412086 628023455 /nfs/dbraw/zinc/02/34/55/628023455.db2.gz ZMOZEHPGYXDHFG-QGZVFWFLSA-N 0 1 298.386 2.777 20 30 CFEDMN CC(C)[C@@H](NCC(=O)NCCC#N)c1ccccc1Cl ZINC000775434957 628025966 /nfs/dbraw/zinc/02/59/66/628025966.db2.gz RKNQXOXCYCJRQF-OAHLLOKOSA-N 0 1 293.798 2.657 20 30 CFEDMN C=C(C)CCN1CCO[C@@H]([C@@H](C)NC(=O)OC(C)(C)C)C1 ZINC000775615608 628046441 /nfs/dbraw/zinc/04/64/41/628046441.db2.gz QBMDWOGBXRGZIM-ZIAGYGMSSA-N 0 1 298.427 2.567 20 30 CFEDMN C#C[C@H](NCCOc1cccc2ccccc21)[C@@H]1CCCO1 ZINC000775790533 628068205 /nfs/dbraw/zinc/06/82/05/628068205.db2.gz PZHUJVDQFKCAQG-HKUYNNGSSA-N 0 1 295.382 2.989 20 30 CFEDMN C#C[C@H](NCCOc1cccc2ccccc21)[C@H]1CCCO1 ZINC000775790543 628068293 /nfs/dbraw/zinc/06/82/93/628068293.db2.gz PZHUJVDQFKCAQG-PKOBYXMFSA-N 0 1 295.382 2.989 20 30 CFEDMN N#CCc1ccc(COC(=O)c2cccc3[nH]ncc32)cc1 ZINC000776110165 628104499 /nfs/dbraw/zinc/10/44/99/628104499.db2.gz LJEJDJNAYVMUKO-UHFFFAOYSA-N 0 1 291.310 2.986 20 30 CFEDMN C#CCN(Cc1ccccc1)[C@@H](C)c1n[nH]c(CC)n1 ZINC000852044066 634634540 /nfs/dbraw/zinc/63/45/40/634634540.db2.gz DJDBAIUNXVSDQE-ZDUSSCGKSA-N 0 1 268.364 2.564 20 30 CFEDMN C#CCOCCN1CCC[C@H]1c1nc2ccc(C)cc2[nH]1 ZINC000852049540 634636752 /nfs/dbraw/zinc/63/67/52/634636752.db2.gz XLRQZSYMXOMPRK-INIZCTEOSA-N 0 1 283.375 2.658 20 30 CFEDMN C#CCOc1cccc(Cl)c1CNC[C@@H](O)[C@@H](C)CC ZINC000778170412 628283020 /nfs/dbraw/zinc/28/30/20/628283020.db2.gz PTGGNHPZIOQSDM-SWLSCSKDSA-N 0 1 295.810 2.849 20 30 CFEDMN C#CCOc1cccc(Cl)c1CN[C@H]1CCSC1 ZINC000778172333 628283492 /nfs/dbraw/zinc/28/34/92/628283492.db2.gz HPKZWVYUKKRMFP-NSHDSACASA-N 0 1 281.808 2.947 20 30 CFEDMN C#C[C@](C)(CC)NCCS(=O)(=O)c1ccc(Cl)cc1 ZINC000852097525 634650812 /nfs/dbraw/zinc/65/08/12/634650812.db2.gz QHYQYFCTFCQPMM-CQSZACIVSA-N 0 1 299.823 2.505 20 30 CFEDMN N#Cc1ccc(O)c(NC(=O)[C@H](F)Cc2ccccc2)c1 ZINC000778400048 628304567 /nfs/dbraw/zinc/30/45/67/628304567.db2.gz SXIQVPHPRZJVSY-CYBMUJFWSA-N 0 1 284.290 2.783 20 30 CFEDMN CC[C@H](C(=O)O[C@@H](C)C(C)(C)C#N)N(CC)CC ZINC000778690912 628325102 /nfs/dbraw/zinc/32/51/02/628325102.db2.gz VREAAVQOYAYETC-NWDGAFQWSA-N 0 1 254.374 2.588 20 30 CFEDMN C#C[C@](C)(CC)N[C@@H](C)C(=O)N(CC)c1ccccc1 ZINC000852097118 634650570 /nfs/dbraw/zinc/65/05/70/634650570.db2.gz LTKGBSMDQVCYDM-WMLDXEAASA-N 0 1 272.392 2.820 20 30 CFEDMN N#Cc1ccc(F)c(CNCc2cc(F)ccc2O)c1 ZINC000779089246 628351117 /nfs/dbraw/zinc/35/11/17/628351117.db2.gz YDPSAQAEFGMNTG-UHFFFAOYSA-N 0 1 274.270 2.832 20 30 CFEDMN C#C[C@](C)(CC)N[C@@H](C)C(=O)N1c2ccccc2C[C@H]1C ZINC000852098540 634651602 /nfs/dbraw/zinc/65/16/02/634651602.db2.gz PVEANTCECAXUNH-QWQRMKEZSA-N 0 1 284.403 2.744 20 30 CFEDMN CC(=NNC1=NC[C@H](C)N1)c1ccc(CC(C)C)cc1 ZINC000779792767 628406750 /nfs/dbraw/zinc/40/67/50/628406750.db2.gz UFOCDIDDWRVLOV-LBPRGKRZSA-N 0 1 272.396 2.546 20 30 CFEDMN CC(=NNC1=NC[C@@H](C)N1)c1ccc(SC(F)F)cc1 ZINC000779801458 628407479 /nfs/dbraw/zinc/40/74/79/628407479.db2.gz ULFUWLFRFKNFAV-MRVPVSSYSA-N 0 1 298.362 2.663 20 30 CFEDMN O=C1c2ccc(O)cc2C/C1=C\c1cc(O)ccc1[N+](=O)[O-] ZINC000780188495 628437878 /nfs/dbraw/zinc/43/78/78/628437878.db2.gz STKGEWKUWOIUIA-IZZDOVSWSA-N 0 1 297.266 2.828 20 30 CFEDMN C(=NN[C@@H]1CCCOC1)c1ccc(N2CCCCC2)s1 ZINC000780261563 628447267 /nfs/dbraw/zinc/44/72/67/628447267.db2.gz NQUSGCUVZXSFNG-CYBMUJFWSA-N 0 1 293.436 2.841 20 30 CFEDMN COc1ccc(C(C)=NNc2ccc(OC)cn2)cc1 ZINC000780270716 628448489 /nfs/dbraw/zinc/44/84/89/628448489.db2.gz LKYPNXKARJLLBM-UHFFFAOYSA-N 0 1 271.320 2.935 20 30 CFEDMN Fc1cc(F)c(C=NNc2ncncc2Cl)cc1F ZINC000780278516 628449470 /nfs/dbraw/zinc/44/94/70/628449470.db2.gz BZGBIGKHQGIJCL-UHFFFAOYSA-N 0 1 286.644 2.993 20 30 CFEDMN Clc1cncnc1N=NCc1cnc(-c2ccccc2)[nH]1 ZINC000780281519 628450210 /nfs/dbraw/zinc/45/02/10/628450210.db2.gz NJTKZSGABPBWRZ-UHFFFAOYSA-N 0 1 298.737 2.966 20 30 CFEDMN C#C[C@@](C)(CC)NCc1cc(C(=O)OC)sc1C ZINC000852102642 634656563 /nfs/dbraw/zinc/65/65/63/634656563.db2.gz MPIMJUDFQDDMJE-AWEZNQCLSA-N 0 1 265.378 2.735 20 30 CFEDMN N#Cc1ccc(CNCc2cccc3cccnc32)nc1 ZINC000780553494 628475023 /nfs/dbraw/zinc/47/50/23/628475023.db2.gz BECRWBNPFQCRCN-UHFFFAOYSA-N 0 1 274.327 2.791 20 30 CFEDMN N#Cc1ccc(CNC/C=C\c2ccccc2[N+](=O)[O-])nc1 ZINC000780556643 628475940 /nfs/dbraw/zinc/47/59/40/628475940.db2.gz OYXGFIZYWXRVMA-HYXAFXHYSA-N 0 1 294.314 2.664 20 30 CFEDMN N#Cc1ccc(CNCc2ccnc3ccccc23)nc1 ZINC000780555787 628476238 /nfs/dbraw/zinc/47/62/38/628476238.db2.gz SFCKGPGSNMQDNT-UHFFFAOYSA-N 0 1 274.327 2.791 20 30 CFEDMN C=CCOc1cccc(CNCc2ccc(C#N)cn2)c1 ZINC000780558088 628476517 /nfs/dbraw/zinc/47/65/17/628476517.db2.gz JLJPSOFSWYZMNI-UHFFFAOYSA-N 0 1 279.343 2.808 20 30 CFEDMN C#CCCCCCC(=O)Nc1ncc(C(F)(F)F)[nH]1 ZINC000780647374 628485424 /nfs/dbraw/zinc/48/54/24/628485424.db2.gz BJFYQFQRVWPGKM-UHFFFAOYSA-N 0 1 273.258 2.951 20 30 CFEDMN C#CCCCCCC(=O)Nc1ccccc1-c1nnc[nH]1 ZINC000780996127 628511660 /nfs/dbraw/zinc/51/16/60/628511660.db2.gz ZBTWAZLOFLIQGW-UHFFFAOYSA-N 0 1 282.347 2.994 20 30 CFEDMN C=CCCCN(C)CN1C[C@H](Cc2ccccc2)OC1=O ZINC000781143403 628526158 /nfs/dbraw/zinc/52/61/58/628526158.db2.gz IMROYIYSFGUACQ-INIZCTEOSA-N 0 1 288.391 2.905 20 30 CFEDMN CCc1cc(CN[C@H](C)c2ccc(C#N)cc2F)[nH]n1 ZINC000781423409 628547657 /nfs/dbraw/zinc/54/76/57/628547657.db2.gz PUNIIZDCCIPTHA-SNVBAGLBSA-N 0 1 272.327 2.834 20 30 CFEDMN C#CCN(Cc1ccc(C(=O)OC)[nH]1)C1CCCCC1 ZINC000781903294 628590375 /nfs/dbraw/zinc/59/03/75/628590375.db2.gz XZKOFCMVFWYAGU-UHFFFAOYSA-N 0 1 274.364 2.569 20 30 CFEDMN CC[C@H]1C[C@H](CC(=O)Nc2cc(C#N)ccc2O)CCO1 ZINC000782023583 628597958 /nfs/dbraw/zinc/59/79/58/628597958.db2.gz IBEFCIAGXHOXIJ-YPMHNXCESA-N 0 1 288.347 2.798 20 30 CFEDMN CCCCCCCCCCN1CCO[C@@H](C(=O)NC)C1 ZINC000782096789 628604283 /nfs/dbraw/zinc/60/42/83/628604283.db2.gz GINRVXZUYBEBEF-OAHLLOKOSA-N 0 1 284.444 2.574 20 30 CFEDMN Clc1ccsc1C=NNCCN1CCCCC1 ZINC000782202451 628613628 /nfs/dbraw/zinc/61/36/28/628613628.db2.gz HUVRZYMAEIIMPU-UHFFFAOYSA-N 0 1 271.817 2.811 20 30 CFEDMN Cc1cc(N=NCc2ccc([N+](=O)[O-])s2)nc(C)n1 ZINC000782225424 628616818 /nfs/dbraw/zinc/61/68/18/628616818.db2.gz OCQIOHOBXTVTIM-UHFFFAOYSA-N 0 1 277.309 2.509 20 30 CFEDMN COC(=O)c1ccc(N=NCc2cc[nH]c2)cc1Cl ZINC000782238007 628618514 /nfs/dbraw/zinc/61/85/14/628618514.db2.gz MEZNSSPSKCWTJR-UHFFFAOYSA-N 0 1 277.711 2.901 20 30 CFEDMN C#C[C@H](NCc1ccc2nc(C)ccc2c1)[C@H]1CCCO1 ZINC000782530892 628643211 /nfs/dbraw/zinc/64/32/11/628643211.db2.gz ORZCFOXDXRLOAJ-FUHWJXTLSA-N 0 1 280.371 2.814 20 30 CFEDMN N#C[C@@H](C(=O)C1(Cc2ccc(F)cc2)CC1)c1ccncn1 ZINC000783134461 628677447 /nfs/dbraw/zinc/67/74/47/628677447.db2.gz QDOSFHUDQIZVGW-CQSZACIVSA-N 0 1 295.317 2.815 20 30 CFEDMN Cc1cc([C@H](C#N)C(=O)[C@H]2CCCCS2)nc(C)n1 ZINC000783348817 628700379 /nfs/dbraw/zinc/70/03/79/628700379.db2.gz CVLWJDNGVQDKEK-WCQYABFASA-N 0 1 275.377 2.555 20 30 CFEDMN Cc1nccnc1C(C)N=Nc1cnnc2ccccc12 ZINC000783516149 628715574 /nfs/dbraw/zinc/71/55/74/628715574.db2.gz HHDKQMKGBWFNRF-UHFFFAOYSA-N 0 1 278.319 2.564 20 30 CFEDMN Cc1ccc(NN=Cc2ccc([N+](=O)[O-])cc2Cl)nn1 ZINC000783842069 628748883 /nfs/dbraw/zinc/74/88/83/628748883.db2.gz OEIRZDFQOJWRNI-UHFFFAOYSA-N 0 1 291.698 2.793 20 30 CFEDMN CC(C)[C@H](F)C(=O)[C@@H](C#N)C(=O)Nc1ccccc1Cl ZINC000784490990 628821032 /nfs/dbraw/zinc/82/10/32/628821032.db2.gz NZBWHVODJKCALK-SKDRFNHKSA-N 0 1 296.729 2.981 20 30 CFEDMN CC(C)[C@@H](F)C(=O)[C@@H](C#N)C(=O)Nc1ccccc1Cl ZINC000784490987 628821086 /nfs/dbraw/zinc/82/10/86/628821086.db2.gz NZBWHVODJKCALK-BXKDBHETSA-N 0 1 296.729 2.981 20 30 CFEDMN Cc1cc(O)ccc1NC(=O)c1ccc(C#N)c(O)c1 ZINC000785409059 628880433 /nfs/dbraw/zinc/88/04/33/628880433.db2.gz AXBDSFSIIFNTKM-UHFFFAOYSA-N 0 1 268.272 2.530 20 30 CFEDMN O=C(OCC#Cc1ccc(F)cc1)c1cccc2[nH]ncc21 ZINC000785590089 628896488 /nfs/dbraw/zinc/89/64/88/628896488.db2.gz YDURSAPKTLRFTE-UHFFFAOYSA-N 0 1 294.285 2.911 20 30 CFEDMN C[C@@H]1CC[C@@H](C)N1CC(=O)OCC#Cc1ccc(F)cc1 ZINC000785729500 628908675 /nfs/dbraw/zinc/90/86/75/628908675.db2.gz JKPKMFBILBVING-ZIAGYGMSSA-N 0 1 289.350 2.593 20 30 CFEDMN N#C[C@@H](C(=O)C1(Cc2ccccc2F)CC1)c1ccncn1 ZINC000785894084 628919967 /nfs/dbraw/zinc/91/99/67/628919967.db2.gz NUKQZJPWHFACDY-CYBMUJFWSA-N 0 1 295.317 2.815 20 30 CFEDMN C#CC[C@@H](NC(=O)c1ccc2cncn2c1)c1ccccc1 ZINC000786456740 628957904 /nfs/dbraw/zinc/95/79/04/628957904.db2.gz BMXBBDGKOSHLBP-QGZVFWFLSA-N 0 1 289.338 2.829 20 30 CFEDMN Cc1cccc(CNC(=O)C(C#N)C(=O)C2CCCC2)c1 ZINC000786540042 628967148 /nfs/dbraw/zinc/96/71/48/628967148.db2.gz GJLPARNFRVYLMR-HNNXBMFYSA-N 0 1 284.359 2.510 20 30 CFEDMN Cc1cccc(CNC(=O)C(C#N)C(=O)CC(C)(C)C)c1 ZINC000786544989 628967922 /nfs/dbraw/zinc/96/79/22/628967922.db2.gz CQLVQKMGNGZGBD-AWEZNQCLSA-N 0 1 286.375 2.756 20 30 CFEDMN CC(C)CC1CCN([C@H](C)C(=O)NC2(C#N)CCC2)CC1 ZINC000787264971 629002778 /nfs/dbraw/zinc/00/27/78/629002778.db2.gz WXEXZGGQYHIKEN-CQSZACIVSA-N 0 1 291.439 2.695 20 30 CFEDMN C#CCCN1CCN(Cc2ccc(F)c(Cl)c2)CC1 ZINC000787269878 629003466 /nfs/dbraw/zinc/00/34/66/629003466.db2.gz CSKQSJZISUJTFQ-UHFFFAOYSA-N 0 1 280.774 2.620 20 30 CFEDMN C=C[C@@H]1CCCCN1C(=O)c1nnc2ccccc2c1O ZINC000787681669 629025649 /nfs/dbraw/zinc/02/56/49/629025649.db2.gz QJITVRVIQNQKQJ-LLVKDONJSA-N 0 1 283.331 2.516 20 30 CFEDMN CC(C)(C)CCCCC(=O)C(C#N)C(=O)NC1CC1 ZINC000805855600 629038782 /nfs/dbraw/zinc/03/87/82/629038782.db2.gz KKLBFCRSSMBYLE-GFCCVEGCSA-N 0 1 264.369 2.580 20 30 CFEDMN N#CC(C(=O)[C@@H]1CC(=O)c2ccccc21)c1ccccn1 ZINC000789345550 629149226 /nfs/dbraw/zinc/14/92/26/629149226.db2.gz SSCRBWDJDPJFPD-KGLIPLIRSA-N 0 1 276.295 2.628 20 30 CFEDMN N#Cc1ccc(O)c(NC(=O)[C@@H]2CC(=O)c3ccccc32)c1 ZINC000789831668 629190433 /nfs/dbraw/zinc/19/04/33/629190433.db2.gz GDSLGRVWSFCNNA-CYBMUJFWSA-N 0 1 292.294 2.573 20 30 CFEDMN CC(C)N(C)c1ccc(C=NNC2CCCC2)cn1 ZINC000790162127 629215149 /nfs/dbraw/zinc/21/51/49/629215149.db2.gz MZNDEDYRKGNOMJ-UHFFFAOYSA-N 0 1 260.385 2.792 20 30 CFEDMN CC(C)(C)n1cc(CN=Nc2cccc(F)c2F)nn1 ZINC000790167787 629215222 /nfs/dbraw/zinc/21/52/22/629215222.db2.gz KZKWHPINULOHTN-UHFFFAOYSA-N 0 1 279.294 2.757 20 30 CFEDMN CCCCCCCCCS(=O)(=O)c1ncc[nH]1 ZINC000790174118 629215931 /nfs/dbraw/zinc/21/59/31/629215931.db2.gz OQDDIVWTFXBULL-UHFFFAOYSA-N 0 1 258.387 2.934 20 30 CFEDMN CC[C@@H](C)NN=C1CCN(CCC(F)(F)F)CC1 ZINC000790182819 629216731 /nfs/dbraw/zinc/21/67/31/629216731.db2.gz LKILKZVKWIRCRR-SNVBAGLBSA-N 0 1 265.323 2.779 20 30 CFEDMN CC(=O)Nc1ccccc1CN=Nc1ncccc1C ZINC000790185579 629216956 /nfs/dbraw/zinc/21/69/56/629216956.db2.gz GJIRAXDKKNKCDN-UHFFFAOYSA-N 0 1 268.320 2.794 20 30 CFEDMN Cc1cccnc1NN=Cc1cc(-c2cccnc2)[nH]n1 ZINC000790190470 629218152 /nfs/dbraw/zinc/21/81/52/629218152.db2.gz KFCPVOCWTJZDAA-UHFFFAOYSA-N 0 1 278.319 2.621 20 30 CFEDMN Cc1ccc[nH+]c1[N-]N=Cc1cc(-c2cccnc2)[nH]n1 ZINC000790190470 629218155 /nfs/dbraw/zinc/21/81/55/629218155.db2.gz KFCPVOCWTJZDAA-UHFFFAOYSA-N 0 1 278.319 2.621 20 30 CFEDMN COc1cc(C(C)=NNc2ncccc2C)ccc1O ZINC000790190997 629218189 /nfs/dbraw/zinc/21/81/89/629218189.db2.gz OGOIZRLFPALQIQ-UHFFFAOYSA-N 0 1 271.320 2.940 20 30 CFEDMN Cc1cccnc1N=NCc1ccc(-n2cncn2)c(F)c1 ZINC000790190903 629218229 /nfs/dbraw/zinc/21/82/29/629218229.db2.gz NJADJIDEUWGBDD-UHFFFAOYSA-N 0 1 296.309 2.556 20 30 CFEDMN Cc1nn(-c2ccccc2)c(C)c1C=NNc1nccn1C ZINC000790300422 629227567 /nfs/dbraw/zinc/22/75/67/629227567.db2.gz YIMFPZWCVRQHLG-UHFFFAOYSA-N 0 1 294.362 2.669 20 30 CFEDMN CC(=N[N-]c1[nH+]ccn1C)c1cc(F)cc(F)c1 ZINC000790300415 629227696 /nfs/dbraw/zinc/22/76/96/629227696.db2.gz XYQPIIPDBQQCOH-UHFFFAOYSA-N 0 1 250.252 2.534 20 30 CFEDMN N#CC[C@H]1CCCN(C[C@H]2CN(c3ccccc3)C(=O)O2)C1 ZINC000852319716 634721465 /nfs/dbraw/zinc/72/14/65/634721465.db2.gz RCTSLWWXTNCYBZ-ZBFHGGJFSA-N 0 1 299.374 2.637 20 30 CFEDMN C[C@@H]1C[C@@H](CN2CCC[C@@](C#N)(c3ccccn3)C2)CCO1 ZINC000852331522 634724066 /nfs/dbraw/zinc/72/40/66/634724066.db2.gz AHZFWOXJDJXETC-RYRKJORJSA-N 0 1 299.418 2.754 20 30 CFEDMN C=CCCCCCCNC(=O)N(C)Cc1cnc[nH]1 ZINC000852335362 634724931 /nfs/dbraw/zinc/72/49/31/634724931.db2.gz GAOIBQTUQDFDKH-UHFFFAOYSA-N 0 1 264.373 2.688 20 30 CFEDMN N#CC(C(=O)CSC1CC1)c1nc2ccccc2[nH]1 ZINC000835037062 629331588 /nfs/dbraw/zinc/33/15/88/629331588.db2.gz OQDICLDLTYIOOO-JTQLQIEISA-N 0 1 271.345 2.635 20 30 CFEDMN C#C[C@@H](CCC)NC(=O)c1ccc(Nc2ccncc2)cc1 ZINC000791740004 629350041 /nfs/dbraw/zinc/35/00/41/629350041.db2.gz CINOYEVTGBRWOZ-HNNXBMFYSA-N 0 1 293.370 2.779 20 30 CFEDMN C#C[C@H](CCC)NC(=O)c1cccc(Br)c1O ZINC000791742168 629351049 /nfs/dbraw/zinc/35/10/49/629351049.db2.gz TVLIOTMQHKXKFK-SECBINFHSA-N 0 1 296.164 2.686 20 30 CFEDMN CCc1ccc(NC(=O)C(C#N)C(=O)[C@@H]2CC2(F)F)cc1 ZINC000835062906 629365799 /nfs/dbraw/zinc/36/57/99/629365799.db2.gz STGKANMFNOVKML-NEPJUHHUSA-N 0 1 292.285 2.552 20 30 CFEDMN N#CC(C(=O)C[C@@H]1CC[C@H]2C[C@H]21)C(=O)Nc1ccccc1 ZINC000835062361 629366400 /nfs/dbraw/zinc/36/64/00/629366400.db2.gz BLIJWKVYGJCHIN-DDHJSBNISA-N 0 1 282.343 2.770 20 30 CFEDMN N#CC(C(=O)Nc1ccccc1Cl)C(=O)[C@H]1CC1(F)F ZINC000835063141 629366954 /nfs/dbraw/zinc/36/69/54/629366954.db2.gz VEJYJHMSBUBQGG-JGVFFNPUSA-N 0 1 298.676 2.643 20 30 CFEDMN N#C[C@@H](C(=O)C12CC(c3ccccc3)(C1)C2)c1ccncn1 ZINC000791877479 629369884 /nfs/dbraw/zinc/36/98/84/629369884.db2.gz QSGZCFLNSCFOOR-RWBZWWBESA-N 0 1 289.338 2.775 20 30 CFEDMN C=CCN(C[C@@H](O)c1cc2ccccc2o1)[C@@H](C)COC ZINC000852356765 634731351 /nfs/dbraw/zinc/73/13/51/634731351.db2.gz NIZDNTPGXPGMAN-DZGCQCFKSA-N 0 1 289.375 2.989 20 30 CFEDMN N#CC(C(=O)C[C@H]1CCCO1)c1nccc2ccccc21 ZINC000792094548 629397178 /nfs/dbraw/zinc/39/71/78/629397178.db2.gz FQPYCXVOUVIRFT-UKRRQHHQSA-N 0 1 280.327 2.980 20 30 CFEDMN N#CC(=C(O)C=CC1CC1)c1cnc2ccccc2n1 ZINC000792110026 629397911 /nfs/dbraw/zinc/39/79/11/629397911.db2.gz XERAYJLPBHXXSX-GUOLPTJISA-N 0 1 263.300 2.772 20 30 CFEDMN C#CCN(C)CCOc1cc(Cl)cc(Cl)c1 ZINC000792298893 629419138 /nfs/dbraw/zinc/41/91/38/629419138.db2.gz XXBFRYDHIPPJGQ-UHFFFAOYSA-N 0 1 258.148 2.937 20 30 CFEDMN N#Cc1cccc(COC(=O)c2ccc3cncn3c2)c1 ZINC000792551331 629433129 /nfs/dbraw/zinc/43/31/29/629433129.db2.gz VYGGRQJFBSJHIH-UHFFFAOYSA-N 0 1 277.283 2.563 20 30 CFEDMN C(=NNC1=N[C@H]2CCCC[C@@H]2N1)c1ccc2c(c1)CCCC2 ZINC000793033578 629477754 /nfs/dbraw/zinc/47/77/54/629477754.db2.gz DAPDLFKUSIUSCA-IRXDYDNUSA-N 0 1 296.418 2.759 20 30 CFEDMN CC(=NNC(=N)N)c1ccc2ccccc2c1OC(F)F ZINC000793039652 629478525 /nfs/dbraw/zinc/47/85/25/629478525.db2.gz OUNHQDRLNCZWAP-UHFFFAOYSA-N 0 1 292.289 2.648 20 30 CFEDMN Cn1cc(NN=Cc2ccc3c(c2)CCCC3)cn1 ZINC000793051650 629480200 /nfs/dbraw/zinc/48/02/00/629480200.db2.gz MHMUTBKLXMGOJI-UHFFFAOYSA-N 0 1 254.337 2.745 20 30 CFEDMN C[C@H](NN=Cc1cc(C(F)(F)F)n[nH]1)C(C)(C)C ZINC000793112032 629487233 /nfs/dbraw/zinc/48/72/33/629487233.db2.gz NMUGYLGFTAUGCY-ZETCQYMHSA-N 0 1 262.279 2.787 20 30 CFEDMN Cc1cccc2nc([C@H](C#N)C(=O)C=C[C@@H]3CCOC3)[nH]c21 ZINC000835173216 629488933 /nfs/dbraw/zinc/48/89/33/629488933.db2.gz PAUOHDCGIPQDJR-NTQVKLLNSA-N 0 1 295.342 2.640 20 30 CFEDMN O=C(OCCC#Cc1ccccc1)c1ccc2cncn2c1 ZINC000793156895 629494372 /nfs/dbraw/zinc/49/43/72/629494372.db2.gz MRZJRDROIXBMAA-UHFFFAOYSA-N 0 1 290.322 2.933 20 30 CFEDMN O=[N+]([O-])c1ccc(O)cc1C=NNc1cccc(Cl)n1 ZINC000793176125 629499473 /nfs/dbraw/zinc/49/94/73/629499473.db2.gz YVCCDELKKIKLPQ-UHFFFAOYSA-N 0 1 292.682 2.795 20 30 CFEDMN CC[C@@H](C)CN(C)Cn1cc2c(c(C#N)c1=O)CCCC2 ZINC000793496874 629556785 /nfs/dbraw/zinc/55/67/85/629556785.db2.gz GTUKRERDDNKGAN-CYBMUJFWSA-N 0 1 287.407 2.534 20 30 CFEDMN C[C@H]1COC2(CCC2)CN1Cc1ccc(OCC#N)cc1 ZINC000852441404 634747557 /nfs/dbraw/zinc/74/75/57/634747557.db2.gz NZMZGFOQRIMKHD-AWEZNQCLSA-N 0 1 286.375 2.732 20 30 CFEDMN C[C@H]1CCC[C@H](C)N1CC(N)=NOCCC(C)(C)C#N ZINC000794528625 629655442 /nfs/dbraw/zinc/65/54/42/629655442.db2.gz QHKSRXFLFPYCPP-STQMWFEESA-N 0 1 280.416 2.688 20 30 CFEDMN CSCCON=C(C)c1cccc(N2CCOCC2)c1 ZINC000794573579 629663514 /nfs/dbraw/zinc/66/35/14/629663514.db2.gz FQTIHVJMGNMRFC-UHFFFAOYSA-N 0 1 294.420 2.627 20 30 CFEDMN FC(F)(F)COc1ccc(C=NNc2cncnc2)cc1 ZINC000794976142 629713807 /nfs/dbraw/zinc/71/38/07/629713807.db2.gz FTFYWVPTMRDZAX-UHFFFAOYSA-N 0 1 296.252 2.864 20 30 CFEDMN Cc1ccc2cc(C=NNc3cncnc3)ccc2n1 ZINC000794977894 629715242 /nfs/dbraw/zinc/71/52/42/629715242.db2.gz BZEFJJNRRIFSII-UHFFFAOYSA-N 0 1 263.304 2.779 20 30 CFEDMN Cc1cccc(-c2n[nH]cc2CN=Nc2cncnc2)c1 ZINC000794978096 629715293 /nfs/dbraw/zinc/71/52/93/629715293.db2.gz HIGJFYZBDMOVFY-UHFFFAOYSA-N 0 1 278.319 2.621 20 30 CFEDMN Fc1cc(CN=Nc2cncnc2)ccc1Cl ZINC000794979927 629715949 /nfs/dbraw/zinc/71/59/49/629715949.db2.gz ZJRZBJIMELDRCY-UHFFFAOYSA-N 0 1 250.664 2.715 20 30 CFEDMN CC(N=Nc1cncnc1)c1cc(Cl)ccc1O ZINC000794979540 629716092 /nfs/dbraw/zinc/71/60/92/629716092.db2.gz YUBNJOUAAVVOGL-UHFFFAOYSA-N 0 1 262.700 2.672 20 30 CFEDMN Cc1ccc2c(c1C)C(=NNc1cncnc1)CCO2 ZINC000794979505 629716113 /nfs/dbraw/zinc/71/61/13/629716113.db2.gz XGSOWWOBQXWKHX-UHFFFAOYSA-N 0 1 268.320 2.692 20 30 CFEDMN COCCCON=C1C[C@H](C)CN(Cc2ccccc2)C1 ZINC000795041671 629728238 /nfs/dbraw/zinc/72/82/38/629728238.db2.gz FQUUVDYZSAGBMZ-HNNXBMFYSA-N 0 1 290.407 2.938 20 30 CFEDMN COCCCON=C1C[C@@H](C)N(Cc2ccccc2)C1 ZINC000795050500 629729874 /nfs/dbraw/zinc/72/98/74/629729874.db2.gz DVBVRHAMMIVBMI-CQSZACIVSA-N 0 1 276.380 2.690 20 30 CFEDMN COCCCON=C(C)c1ccccc1N(C)C ZINC000795050353 629730114 /nfs/dbraw/zinc/73/01/14/629730114.db2.gz ANRHCOBQCZNKSW-UHFFFAOYSA-N 0 1 250.342 2.530 20 30 CFEDMN CC(C)c1n[nH]c(COC(=O)C=Cc2ccccc2C#N)n1 ZINC000795313800 629760223 /nfs/dbraw/zinc/76/02/23/629760223.db2.gz ORGRJYVHZAUBLU-FPLPWBNLSA-N 0 1 296.330 2.556 20 30 CFEDMN CC(C)c1nc(COC(=O)C=Cc2ccccc2C#N)n[nH]1 ZINC000795313800 629760227 /nfs/dbraw/zinc/76/02/27/629760227.db2.gz ORGRJYVHZAUBLU-FPLPWBNLSA-N 0 1 296.330 2.556 20 30 CFEDMN N#CC(C(=O)CCSCc1ccccc1)c1ccncn1 ZINC000796848133 629978513 /nfs/dbraw/zinc/97/85/13/629978513.db2.gz ZPFSFXPZDFETIJ-AWEZNQCLSA-N 0 1 297.383 2.976 20 30 CFEDMN C#CC[N@@H+]1CCC[C@H]1COC(=O)Cc1coc2ccccc12 ZINC000796988941 630000611 /nfs/dbraw/zinc/00/06/11/630000611.db2.gz NEZRVJLHPFXUKS-HNNXBMFYSA-N 0 1 297.354 2.616 20 30 CFEDMN C#CCN1CCC[C@H]1COC(=O)Cc1coc2ccccc12 ZINC000796988941 630000614 /nfs/dbraw/zinc/00/06/14/630000614.db2.gz NEZRVJLHPFXUKS-HNNXBMFYSA-N 0 1 297.354 2.616 20 30 CFEDMN CO[C@H](C)C(=O)C(C#N)c1ncc(C(C)(C)C)s1 ZINC000797566443 630082519 /nfs/dbraw/zinc/08/25/19/630082519.db2.gz JYCKOBNITTWFET-RKDXNWHRSA-N 0 1 266.366 2.652 20 30 CFEDMN CC(C)NC(=O)[C@@H](C#N)C(=O)CC1CC(c2ccccc2)C1 ZINC000798816573 630241691 /nfs/dbraw/zinc/24/16/91/630241691.db2.gz MNYJGGRDRYOYJN-BCLQGDPASA-N 0 1 298.386 2.804 20 30 CFEDMN CC[C@H](C(=O)OCC#CC(C)(C)C)N(CC)CC ZINC000798886944 630253392 /nfs/dbraw/zinc/25/33/92/630253392.db2.gz LDVAGHLBIWSETJ-CYBMUJFWSA-N 0 1 253.386 2.700 20 30 CFEDMN CC(C)(C)C#CCOC(=O)c1[nH]nc2c1CCCCC2 ZINC000798887106 630253281 /nfs/dbraw/zinc/25/32/81/630253281.db2.gz MXTNINKBXWGXFD-UHFFFAOYSA-N 0 1 274.364 2.885 20 30 CFEDMN Cc1nn(C(C)C)cc1CN=Nc1cc(C)ccn1 ZINC000799111751 630275590 /nfs/dbraw/zinc/27/55/90/630275590.db2.gz VHBAHMWBJHKTTM-UHFFFAOYSA-N 0 1 257.341 2.922 20 30 CFEDMN COc1cccc(NN=Cc2cn(C(C)C)nc2C)n1 ZINC000799112967 630276432 /nfs/dbraw/zinc/27/64/32/630276432.db2.gz CAVIZSDKPIAHOK-UHFFFAOYSA-N 0 1 273.340 2.622 20 30 CFEDMN N#CCC[C@@H](NC[C@H](O)c1ccc(F)cn1)c1ccccc1 ZINC000799316641 630296717 /nfs/dbraw/zinc/29/67/17/630296717.db2.gz VAKBJYFXYQDLLR-WBVHZDCISA-N 0 1 299.349 2.889 20 30 CFEDMN Cn1c(Cl)cnc1CN=Nc1ccccc1F ZINC000799476928 630312388 /nfs/dbraw/zinc/31/23/88/630312388.db2.gz WVSJSOPJXCUTKI-UHFFFAOYSA-N 0 1 252.680 2.659 20 30 CFEDMN C#C[C@H](N[C@@H]1CCCc2c(OC)cccc21)[C@@H]1CCCO1 ZINC000799724668 630340146 /nfs/dbraw/zinc/34/01/46/630340146.db2.gz GNVMUUJDLVMSSI-JZXOWHBKSA-N 0 1 285.387 2.843 20 30 CFEDMN CC(=NNc1cccc(F)c1F)c1cc(C)n(C)n1 ZINC000799882275 630351119 /nfs/dbraw/zinc/35/11/19/630351119.db2.gz KOBWTUSYFVEFTA-UHFFFAOYSA-N 0 1 264.279 2.843 20 30 CFEDMN CC(=NNc1nccn1C)c1c(C)cc(C)cc1O ZINC000799887006 630352204 /nfs/dbraw/zinc/35/22/04/630352204.db2.gz JKDYUFWDRRDWNG-UHFFFAOYSA-N 0 1 258.325 2.579 20 30 CFEDMN CC(=N[N-]c1[nH+]ccn1C)c1c(C)cc(C)cc1O ZINC000799887006 630352206 /nfs/dbraw/zinc/35/22/06/630352206.db2.gz JKDYUFWDRRDWNG-UHFFFAOYSA-N 0 1 258.325 2.579 20 30 CFEDMN C#CCC[NH+]1CCN(CCSC2CCCCC2)CC1 ZINC000800367554 630375220 /nfs/dbraw/zinc/37/52/20/630375220.db2.gz XMLMPUMAMPLPMZ-UHFFFAOYSA-N 0 1 280.481 2.693 20 30 CFEDMN C#CCCN1CCN(CCSC2CCCCC2)CC1 ZINC000800367554 630375224 /nfs/dbraw/zinc/37/52/24/630375224.db2.gz XMLMPUMAMPLPMZ-UHFFFAOYSA-N 0 1 280.481 2.693 20 30 CFEDMN O=c1[nH]c(N=NC2CCC[C@H]3C[C@H]32)nc2ccccc21 ZINC000800814308 630407596 /nfs/dbraw/zinc/40/75/96/630407596.db2.gz SUJNHNJUMGMMGB-GXSJLCMTSA-N 0 1 268.320 2.923 20 30 CFEDMN COC(=O)c1c(F)cccc1NN=Cc1ccc(O)cc1 ZINC000800817636 630408244 /nfs/dbraw/zinc/40/82/44/630408244.db2.gz QRSMJZUMNVUBPL-UHFFFAOYSA-N 0 1 288.278 2.764 20 30 CFEDMN C[C@H]1CC(=NC(=O)c2ccc(Cl)c3ncccc23)NO1 ZINC000801180268 630431920 /nfs/dbraw/zinc/43/19/20/630431920.db2.gz CDNTUOPILSPMID-QMMMGPOBSA-N 0 1 289.722 2.740 20 30 CFEDMN COc1ccccc1CN(CCO[C@@H](C)C#N)C1CC1 ZINC000801912795 630486127 /nfs/dbraw/zinc/48/61/27/630486127.db2.gz DBKCVRZVTYLUDP-ZDUSSCGKSA-N 0 1 274.364 2.588 20 30 CFEDMN C[C@@H](C#N)OCCN1CCc2cc(F)ccc2[C@@H]1C ZINC000801923063 630488421 /nfs/dbraw/zinc/48/84/21/630488421.db2.gz XWCUHRMCBKCMGL-RYUDHWBXSA-N 0 1 262.328 2.673 20 30 CFEDMN N#CC(C(=O)C=Cc1ccc[nH]1)c1cnc2ccccc2n1 ZINC000802227526 630514408 /nfs/dbraw/zinc/51/44/08/630514408.db2.gz IDWAKESIAGSSNY-WSROAFLRSA-N 0 1 288.310 2.848 20 30 CFEDMN N#CC(=C(O)C=Cc1ccc[nH]1)c1cnc2ccccc2n1 ZINC000802227526 630514412 /nfs/dbraw/zinc/51/44/12/630514412.db2.gz IDWAKESIAGSSNY-WSROAFLRSA-N 0 1 288.310 2.848 20 30 CFEDMN N#CC(C(=O)C=Cc1ccc[nH]1)c1cnc2ccccc2n1 ZINC000802227524 630514624 /nfs/dbraw/zinc/51/46/24/630514624.db2.gz IDWAKESIAGSSNY-MEJMFZKBSA-N 0 1 288.310 2.848 20 30 CFEDMN N#CC(=C(O)C=Cc1ccc[nH]1)c1cnc2ccccc2n1 ZINC000802227524 630514625 /nfs/dbraw/zinc/51/46/25/630514625.db2.gz IDWAKESIAGSSNY-MEJMFZKBSA-N 0 1 288.310 2.848 20 30 CFEDMN C#CCCN(CCOC)Cc1ccc(-c2ccccn2)nc1 ZINC000852750546 634824111 /nfs/dbraw/zinc/82/41/11/634824111.db2.gz YEAXKQCVPAWLJY-UHFFFAOYSA-N 0 1 295.386 2.615 20 30 CFEDMN C#CCCN(CCOC)Cc1ccc(Cl)s1 ZINC000852750853 634824251 /nfs/dbraw/zinc/82/42/51/634824251.db2.gz HFWATARBRSOIND-UHFFFAOYSA-N 0 1 257.786 2.873 20 30 CFEDMN C#CCCN(CCOC)Cc1ccccc1OC(F)F ZINC000852752007 634825534 /nfs/dbraw/zinc/82/55/34/634825534.db2.gz RIHXUZWAUWYCQJ-UHFFFAOYSA-N 0 1 283.318 2.760 20 30 CFEDMN C=CCN1CCN(CN2CC[C@H](c3ccc(C)cc3)C2)C1=O ZINC000840043611 630675353 /nfs/dbraw/zinc/67/53/53/630675353.db2.gz MDUPXJGQBYJHSL-KRWDZBQOSA-N 0 1 299.418 2.665 20 30 CFEDMN C#CCN(CCCC(=O)OCC)Cc1ccc(F)cc1 ZINC000102398947 630781552 /nfs/dbraw/zinc/78/15/52/630781552.db2.gz IOZLHOYDPRHDGA-UHFFFAOYSA-N 0 1 277.339 2.604 20 30 CFEDMN CC(C)n1cc(/C=C/C(=O)c2ccc(O)c(F)c2)nn1 ZINC000806571993 630813866 /nfs/dbraw/zinc/81/38/66/630813866.db2.gz SJMXVYCAYMHXKW-GQCTYLIASA-N 0 1 275.283 2.600 20 30 CFEDMN C=CCn1c(=O)[nH]nc1SCc1csc(Cl)n1 ZINC000806591058 630819410 /nfs/dbraw/zinc/81/94/10/630819410.db2.gz WBWOUNGEHGNDMT-UHFFFAOYSA-N 0 1 288.785 2.572 20 30 CFEDMN C#C[C@@H](NC(=O)[C@H]1CCCN1Cc1ccccc1)C(C)(C)C ZINC000807882739 630918878 /nfs/dbraw/zinc/91/88/78/630918878.db2.gz ZAUYWVLLZLWXLF-IAGOWNOFSA-N 0 1 298.430 2.815 20 30 CFEDMN C[C@@H]1CN=C(NN=C(CCC(C)(C)C)c2cscn2)N1 ZINC000807981488 630929543 /nfs/dbraw/zinc/92/95/43/630929543.db2.gz ODDNATJTZUTHKG-SNVBAGLBSA-N 0 1 293.440 2.611 20 30 CFEDMN N#CC(C(=O)Cc1c[nH]c2ccccc12)c1ccccn1 ZINC000041493626 649990726 /nfs/dbraw/zinc/99/07/26/649990726.db2.gz OBQBOVYMKBTWKK-AWEZNQCLSA-N 0 1 275.311 2.982 20 30 CFEDMN CC(C)(C)C#CC(=O)NC[C@H](c1ccco1)N1CCCC1 ZINC000837311910 630994907 /nfs/dbraw/zinc/99/49/07/630994907.db2.gz FXBRILROSYISNV-CQSZACIVSA-N 0 1 288.391 2.582 20 30 CFEDMN C=C(C)[C@H](NCCC(=O)N(C)OC)c1ccc(F)c(F)c1 ZINC000808747439 631042914 /nfs/dbraw/zinc/04/29/14/631042914.db2.gz MLVFVSMVZMTEFM-HNNXBMFYSA-N 0 1 298.333 2.582 20 30 CFEDMN CC[C@H](C)c1nc([C@H](C)NC(=O)C#CC(C)(C)C)n[nH]1 ZINC000837573470 631071911 /nfs/dbraw/zinc/07/19/11/631071911.db2.gz CROABMXXXLNRMY-QWRGUYRKSA-N 0 1 276.384 2.545 20 30 CFEDMN C#CC[C@@H](NCc1cc(C(=O)OC)n(C)c1)c1ccccc1 ZINC000809425778 631225320 /nfs/dbraw/zinc/22/53/20/631225320.db2.gz UKZWWTROXFNPNS-MRXNPFEDSA-N 0 1 296.370 2.666 20 30 CFEDMN N#CC[C@@H](O)CNC1(c2ccc(F)cc2F)CCCC1 ZINC000809579055 631240412 /nfs/dbraw/zinc/24/04/12/631240412.db2.gz VISGXXPFHRIKEM-GFCCVEGCSA-N 0 1 280.318 2.598 20 30 CFEDMN C#Cc1ccc(CNCc2cccc([N+](=O)[O-])c2)cc1 ZINC000809610591 631245847 /nfs/dbraw/zinc/24/58/47/631245847.db2.gz XYLCQVFWBKULRV-UHFFFAOYSA-N 0 1 266.300 2.866 20 30 CFEDMN C[C@H](O)c1ncc(CN[C@@H](C)c2cccc(C#N)c2)s1 ZINC000809622867 631248960 /nfs/dbraw/zinc/24/89/60/631248960.db2.gz MZJRBZYDRYOSRR-QWRGUYRKSA-N 0 1 287.388 2.919 20 30 CFEDMN C#Cc1ccc(CNCc2cnn(CC(F)(F)F)c2)cc1 ZINC000809628101 631250942 /nfs/dbraw/zinc/25/09/42/631250942.db2.gz DCGLEKFJCLHIQP-UHFFFAOYSA-N 0 1 293.292 2.717 20 30 CFEDMN C#C[C@@H](C)NCc1ccc(N(C)c2ccccc2)nc1 ZINC000809683617 631262011 /nfs/dbraw/zinc/26/20/11/631262011.db2.gz GENLKVHBMRRXKF-CQSZACIVSA-N 0 1 265.360 2.961 20 30 CFEDMN C#C[C@@H](CC)NCc1ccnn1-c1ccccc1C ZINC000809685711 631262444 /nfs/dbraw/zinc/26/24/44/631262444.db2.gz MMUYPBZTBIPYCJ-AWEZNQCLSA-N 0 1 253.349 2.682 20 30 CFEDMN C#C[C@H](CC)NCc1cc(OC)cc2c1O[C@H](C)C2 ZINC000809686546 631262921 /nfs/dbraw/zinc/26/29/21/631262921.db2.gz YEPMMVQUZWQVOD-BXUZGUMPSA-N 0 1 259.349 2.520 20 30 CFEDMN C#C[C@@H](NCc1cc(OC)cc2c1O[C@@H](C)C2)C(C)C ZINC000809685636 631263069 /nfs/dbraw/zinc/26/30/69/631263069.db2.gz GTMTZJPAQPYGQO-BLLLJJGKSA-N 0 1 273.376 2.766 20 30 CFEDMN Cn1c2ccccc2nc1C(C#N)C(=O)[C@@H]1CCCSC1 ZINC000810519191 631379890 /nfs/dbraw/zinc/37/98/90/631379890.db2.gz APXNTUUGVGMYIW-NEPJUHHUSA-N 0 1 299.399 2.893 20 30 CFEDMN C#CC[C@@H](OC(=O)[C@]1(F)CCN(C(C)(C)C)C1)C1CC1 ZINC000810609637 631402276 /nfs/dbraw/zinc/40/22/76/631402276.db2.gz NHRILHBABWUNOA-CJNGLKHVSA-N 0 1 281.371 2.544 20 30 CFEDMN C[C@@H](OC(=O)[C@@]1(F)CCN(C(C)(C)C)C1)C(C)(C)C#N ZINC000810640453 631414293 /nfs/dbraw/zinc/41/42/93/631414293.db2.gz XTVPWTYPSGPNCY-IAQYHMDHSA-N 0 1 284.375 2.680 20 30 CFEDMN Cc1cccc(F)c1NN=C1C[C@H](C)n2ncnc21 ZINC000841634858 631438787 /nfs/dbraw/zinc/43/87/87/631438787.db2.gz VYYOIKRVHGXYMI-VIFPVBQESA-N 0 1 259.288 2.507 20 30 CFEDMN C#CCC1(OC(=O)[C@@]2(F)CCN(C(C)(C)C)C2)CCC1 ZINC000810749192 631439109 /nfs/dbraw/zinc/43/91/09/631439109.db2.gz YHVXLUOAEGJMBL-MRXNPFEDSA-N 0 1 281.371 2.688 20 30 CFEDMN COCc1nc(Cl)cc(NN=Cc2ccoc2C)n1 ZINC000841640551 631441493 /nfs/dbraw/zinc/44/14/93/631441493.db2.gz NBGFROFZDBPGOZ-UHFFFAOYSA-N 0 1 280.715 2.624 20 30 CFEDMN C=CC[C@@H](CO)[NH2+][C@@H](C)c1ccc(Cl)cc1[O-] ZINC000841753624 631466327 /nfs/dbraw/zinc/46/63/27/631466327.db2.gz MBOGLZWOIXXNQC-ONGXEEELSA-N 0 1 255.745 2.633 20 30 CFEDMN C[C@H](C#N)OCCN1CCC[C@@H]1Cc1cc(F)ccc1F ZINC000842161305 631557353 /nfs/dbraw/zinc/55/73/53/631557353.db2.gz NPMZOTPYNTVQGH-IUODEOHRSA-N 0 1 294.345 2.900 20 30 CFEDMN CC(C)(C)N1CC[C@@](F)(C(=O)OCCC(C)(C)C#N)C1 ZINC000811445190 631563832 /nfs/dbraw/zinc/56/38/32/631563832.db2.gz PAJULHYCCOUSRX-HNNXBMFYSA-N 0 1 284.375 2.682 20 30 CFEDMN CC[C@@H](CC1CCCC1)C(=O)C(C#N)C(=O)NC(C)C ZINC000842288631 631580205 /nfs/dbraw/zinc/58/02/05/631580205.db2.gz KLDATUJELXTUGR-UONOGXRCSA-N 0 1 278.396 2.826 20 30 CFEDMN Cc1cc(N=NC2CCN(Cc3ccccc3)[C@H]2C)ncn1 ZINC000811642354 631590414 /nfs/dbraw/zinc/59/04/14/631590414.db2.gz NTWVXAQWOQRPSS-AWEZNQCLSA-N 0 1 295.390 2.847 20 30 CFEDMN C=CCCCN(C)CN1CC[C@@H](Cc2ccccc2)C1=O ZINC000811746031 631616776 /nfs/dbraw/zinc/61/67/76/631616776.db2.gz GDFSBHXBXFYCEL-KRWDZBQOSA-N 0 1 286.419 2.933 20 30 CFEDMN COc1ccc(F)cc1CN=Nc1ncccc1C ZINC000812229417 631671848 /nfs/dbraw/zinc/67/18/48/631671848.db2.gz AGIXWIBPYLOSIS-UHFFFAOYSA-N 0 1 259.284 2.984 20 30 CFEDMN CC(C)OCCON=C1CN(Cc2ccccc2)C[C@@H]1C ZINC000812239272 631676546 /nfs/dbraw/zinc/67/65/46/631676546.db2.gz PLLPOMQZULMZLG-HNNXBMFYSA-N 0 1 290.407 2.936 20 30 CFEDMN Cn1cc(/C=C/C(=O)c2ccc(O)cc2O)c(C(F)F)n1 ZINC000812243912 631679246 /nfs/dbraw/zinc/67/92/46/631679246.db2.gz VLYXQUKUPCXECI-GORDUTHDSA-N 0 1 294.257 2.665 20 30 CFEDMN C#CC[C@@H]1CCCN(Cn2ncc3ccc([N+](=O)[O-])cc32)C1 ZINC000842627417 631686055 /nfs/dbraw/zinc/68/60/55/631686055.db2.gz HTIQJJZNPLYZJJ-CYBMUJFWSA-N 0 1 298.346 2.637 20 30 CFEDMN C#CCC1(c2nc([C@@H]3CCCN3)no2)CCCCC1 ZINC000842637796 631688495 /nfs/dbraw/zinc/68/84/95/631688495.db2.gz RKBWCTPMMLVDNA-LBPRGKRZSA-N 0 1 259.353 2.719 20 30 CFEDMN CC1(C)CCC[C@H]1[C@@H]1CCN(Cn2cccc(C#N)c2=O)C1 ZINC000842635321 631688572 /nfs/dbraw/zinc/68/85/72/631688572.db2.gz MAZVZBSJZOBAEI-CVEARBPZSA-N 0 1 299.418 2.826 20 30 CFEDMN CCC[C@H](C)CC(=O)C(C#N)C(=O)Nc1ccccn1 ZINC000155497966 650022719 /nfs/dbraw/zinc/02/27/19/650022719.db2.gz CFOSANPCWJGXBC-RYUDHWBXSA-N 0 1 273.336 2.555 20 30 CFEDMN N#CC(C(=O)Cc1ccc2c(c1)CCCO2)c1ccccn1 ZINC000842683744 631705871 /nfs/dbraw/zinc/70/58/71/631705871.db2.gz BOJBOTJNTIOPEB-OAHLLOKOSA-N 0 1 292.338 2.826 20 30 CFEDMN C#CCOc1ccc(CNCc2ccnn2CC(C)C)cc1 ZINC000842709264 631714207 /nfs/dbraw/zinc/71/42/07/631714207.db2.gz WIXLWWBITHYNKH-UHFFFAOYSA-N 0 1 297.402 2.841 20 30 CFEDMN N#Cc1ccc(CN[C@H]2CCCc3c(O)cccc32)nc1 ZINC000812732273 631764616 /nfs/dbraw/zinc/76/46/16/631764616.db2.gz YXDBBVXOVMHUFP-INIZCTEOSA-N 0 1 279.343 2.826 20 30 CFEDMN C#CCONC(=O)[C@H](C)c1c(Cl)cccc1Cl ZINC000812783454 631774819 /nfs/dbraw/zinc/77/48/19/631774819.db2.gz PXUMLSQNIBXALW-MRVPVSSYSA-N 0 1 272.131 2.778 20 30 CFEDMN N#CC(C(=O)CCCC1CC1)c1nnc2n1CCCCC2 ZINC000813061718 631822726 /nfs/dbraw/zinc/82/27/26/631822726.db2.gz QOZUBYGAYAEASO-ZDUSSCGKSA-N 0 1 286.379 2.761 20 30 CFEDMN N#CCC[C@@H](C#N)CNCC1([C@@H](O)c2ccccc2)CC1 ZINC000843101786 631835575 /nfs/dbraw/zinc/83/55/75/631835575.db2.gz OFHAHRNXSPMVQM-HOCLYGCPSA-N 0 1 283.375 2.533 20 30 CFEDMN C=CCCOCCCCc1nc([C@@H](N)C(C)C)no1 ZINC000843154068 631865916 /nfs/dbraw/zinc/86/59/16/631865916.db2.gz XBILMEPHDADYCF-ZDUSSCGKSA-N 0 1 267.373 2.641 20 30 CFEDMN CC1(CC(F)F)CN(C[C@@H](O)c2ccc(C#N)cc2)C1 ZINC000843294516 631921328 /nfs/dbraw/zinc/92/13/28/631921328.db2.gz PJPTTXLFEGMZBA-CYBMUJFWSA-N 0 1 280.318 2.569 20 30 CFEDMN CCC[C@H](CC1CCCCC1)C(=O)N[C@@H]1CNC[C@H]1C#N ZINC000843460103 631963935 /nfs/dbraw/zinc/96/39/35/631963935.db2.gz MEOMHTQTGAJRBI-BZUAXINKSA-N 0 1 291.439 2.601 20 30 CFEDMN CC(C)[C@H](C(=O)OCC#CC1CCCCC1)N(C)C ZINC000814092218 632008927 /nfs/dbraw/zinc/00/89/27/632008927.db2.gz APMLWMUZIICARO-OAHLLOKOSA-N 0 1 265.397 2.700 20 30 CFEDMN C#CC1CCN(C(=O)[C@H](c2ccccc2)N(C)CC)CC1 ZINC000843705172 632033143 /nfs/dbraw/zinc/03/31/43/632033143.db2.gz VBLMXEJAUMPGKG-KRWDZBQOSA-N 0 1 284.403 2.551 20 30 CFEDMN C[C@@H]1CN(Cc2ccccc2)CC1=NOCC1CC1 ZINC000814243015 632043989 /nfs/dbraw/zinc/04/39/89/632043989.db2.gz AWWLDLVRMNJAGS-CYBMUJFWSA-N 0 1 258.365 2.921 20 30 CFEDMN CC(C)(C)c1nnc(COC(=O)C2(C#N)CCCCC2)[nH]1 ZINC000814448203 632066353 /nfs/dbraw/zinc/06/63/53/632066353.db2.gz MWDYDUQGJIPKLU-UHFFFAOYSA-N 0 1 290.367 2.619 20 30 CFEDMN CC(C)(C)c1nc(COC(=O)C2(C#N)CCCCC2)n[nH]1 ZINC000814448203 632066358 /nfs/dbraw/zinc/06/63/58/632066358.db2.gz MWDYDUQGJIPKLU-UHFFFAOYSA-N 0 1 290.367 2.619 20 30 CFEDMN C=CCC(C)(C)C(=O)OCc1nnc(C(C)(C)C)[nH]1 ZINC000814478942 632074976 /nfs/dbraw/zinc/07/49/76/632074976.db2.gz RJPCLXQBWSJCFR-UHFFFAOYSA-N 0 1 265.357 2.748 20 30 CFEDMN C=CCC(C)(C)C(=O)OCc1n[nH]c(C(C)(C)C)n1 ZINC000814478942 632074983 /nfs/dbraw/zinc/07/49/83/632074983.db2.gz RJPCLXQBWSJCFR-UHFFFAOYSA-N 0 1 265.357 2.748 20 30 CFEDMN C#CC[C@@H]1CCCN(C(=O)c2c(C)n[nH]c2C(F)(F)F)C1 ZINC000843999519 632091796 /nfs/dbraw/zinc/09/17/96/632091796.db2.gz PRZXENFWVCQPCQ-SNVBAGLBSA-N 0 1 299.296 2.612 20 30 CFEDMN C#CC[C@H]1CCCN(C(=O)c2sccc2CN(C)C)C1 ZINC000844000041 632092020 /nfs/dbraw/zinc/09/20/20/632092020.db2.gz UEAJVSNDCJYYQD-ZDUSSCGKSA-N 0 1 290.432 2.685 20 30 CFEDMN CN(CCCOc1ccc(C#N)cc1)CC(C)(C)C#N ZINC000814667956 632105693 /nfs/dbraw/zinc/10/56/93/632105693.db2.gz ZPXHOFMHWXOVPR-UHFFFAOYSA-N 0 1 271.364 2.809 20 30 CFEDMN CCCC(=NNCCN1CCCCC1)c1ccccn1 ZINC000814808658 632129572 /nfs/dbraw/zinc/12/95/72/632129572.db2.gz QUDZJTVPEWWVCG-UHFFFAOYSA-N 0 1 274.412 2.661 20 30 CFEDMN Clc1cccc2c1OCC2=NNCCN1CCCCC1 ZINC000814809141 632129995 /nfs/dbraw/zinc/12/99/95/632129995.db2.gz ZEKXSIICNFYXOC-UHFFFAOYSA-N 0 1 293.798 2.512 20 30 CFEDMN C(CN1CCCCC1)NN=C1CCCC[C@H]1[C@H]1CCOC1 ZINC000814809003 632130044 /nfs/dbraw/zinc/13/00/44/632130044.db2.gz WMMITDRCNVJNMH-HOTGVXAUSA-N 0 1 293.455 2.645 20 30 CFEDMN O=[N+]([O-])c1cc(Cl)ccc1N=NCc1cocn1 ZINC000814810075 632130084 /nfs/dbraw/zinc/13/00/84/632130084.db2.gz XOEYDGCVVJQNDM-UHFFFAOYSA-N 0 1 266.644 2.682 20 30 CFEDMN CSCc1cnc(C=NNc2ccc(F)cn2)s1 ZINC000814842357 632137243 /nfs/dbraw/zinc/13/72/43/632137243.db2.gz DVLZUNCWJUEPAO-UHFFFAOYSA-N 0 1 282.369 2.986 20 30 CFEDMN CC(=NNc1cccc(F)c1F)c1c[nH]nc1C ZINC000814858699 632140678 /nfs/dbraw/zinc/14/06/78/632140678.db2.gz DCGNGQCBUAAJGT-UHFFFAOYSA-N 0 1 250.252 2.832 20 30 CFEDMN CC(=NN=c1cc(C)cc[nH]1)c1cn(-c2ccccc2)nn1 ZINC000814868233 632142301 /nfs/dbraw/zinc/14/23/01/632142301.db2.gz YAIQXDOWHFENQI-UHFFFAOYSA-N 0 1 292.346 2.807 20 30 CFEDMN COc1cccc(NN=C(C)c2ccccc2C#N)n1 ZINC000814900456 632155896 /nfs/dbraw/zinc/15/58/96/632155896.db2.gz UIDVAJRMKBLODB-UHFFFAOYSA-N 0 1 266.304 2.798 20 30 CFEDMN C[C@@H]1C(N=Nc2nccn2C)CCCN1Cc1ccccc1 ZINC000814918423 632164519 /nfs/dbraw/zinc/16/45/19/632164519.db2.gz PIUPQNFUYOUKQG-CQSZACIVSA-N 0 1 297.406 2.873 20 30 CFEDMN CCC(=NNCC(C)(C)CO)c1ccc(Cl)c(N)c1 ZINC000814922709 632166090 /nfs/dbraw/zinc/16/60/90/632166090.db2.gz UDESJWLILVIKAV-UHFFFAOYSA-N 0 1 283.803 2.644 20 30 CFEDMN c1ccc(CCNN=C2CC[C@H]3CNc4cccc2c43)nc1 ZINC000814925167 632167046 /nfs/dbraw/zinc/16/70/46/632167046.db2.gz UOVUATYCXNFQQA-ZDUSSCGKSA-N 0 1 292.386 2.921 20 30 CFEDMN CC(C)(C)c1cnc(C=NNc2cncnc2)s1 ZINC000814926819 632167827 /nfs/dbraw/zinc/16/78/27/632167827.db2.gz LKYLJPHCKZSPCL-UHFFFAOYSA-N 0 1 261.354 2.677 20 30 CFEDMN CC(=[NH+][N-]c1cccc(F)n1)c1cc(N)ccc1F ZINC000814927950 632168417 /nfs/dbraw/zinc/16/84/17/632168417.db2.gz ONVCVVYBSNKEOJ-UHFFFAOYSA-N 0 1 262.263 2.778 20 30 CFEDMN Cc1cnn(C)c1CN=Nc1ccc(F)c(F)c1F ZINC000814946431 632178086 /nfs/dbraw/zinc/17/80/86/632178086.db2.gz MRTVJLDGTHONLR-UHFFFAOYSA-N 0 1 268.242 2.592 20 30 CFEDMN CC(=NNc1cnnn1C)c1ccc(OC(C)(C)C)cc1 ZINC000814981979 632184186 /nfs/dbraw/zinc/18/41/86/632184186.db2.gz MYXTXVHSSAARJM-UHFFFAOYSA-N 0 1 287.367 2.829 20 30 CFEDMN CC(N=Nc1cnnn1C)c1ccc(Cl)c(Cl)c1 ZINC000814983154 632185331 /nfs/dbraw/zinc/18/53/31/632185331.db2.gz AWNSPPPFVJCKCP-UHFFFAOYSA-N 0 1 284.150 2.958 20 30 CFEDMN C#C[C@H](NCc1ccc(C(C)C)nc1C)[C@@H]1CCCO1 ZINC000815093447 632200288 /nfs/dbraw/zinc/20/02/88/632200288.db2.gz KJYVXTJUNOJINL-RDJZCZTQSA-N 0 1 272.392 2.784 20 30 CFEDMN CC#CCN(C)C[C@H](O)c1ccc(Cl)cc1Cl ZINC000815282679 632243076 /nfs/dbraw/zinc/24/30/76/632243076.db2.gz CTPFLXKVZPJVHU-ZDUSSCGKSA-N 0 1 272.175 2.982 20 30 CFEDMN N#CCOc1ccc(Cl)cc1CN1CCC[C@@H](O)CC1 ZINC000815299931 632245855 /nfs/dbraw/zinc/24/58/55/632245855.db2.gz VRNQXAQUDZRKPX-CQSZACIVSA-N 0 1 294.782 2.589 20 30 CFEDMN C=C(C)CON=C(C)c1cccc(N2CCOCC2)c1 ZINC000844617648 632264282 /nfs/dbraw/zinc/26/42/82/632264282.db2.gz QOEDSENRCZLFCV-UHFFFAOYSA-N 0 1 274.364 2.840 20 30 CFEDMN C=C(C)CON=C(C)c1cc(OC)c(O)c([N+](=O)[O-])c1 ZINC000844619342 632265144 /nfs/dbraw/zinc/26/51/44/632265144.db2.gz YCFWWHPVOYWPLM-UHFFFAOYSA-N 0 1 280.280 2.626 20 30 CFEDMN Cc1cncc(CCC(=O)Nc2cc(C#N)ccc2O)c1 ZINC000815878091 632327825 /nfs/dbraw/zinc/32/78/25/632327825.db2.gz SJBXIBVBSSLXIU-UHFFFAOYSA-N 0 1 281.315 2.539 20 30 CFEDMN Cc1cccc2nc([C@H](C#N)C(=O)CC3(C#N)CC3)[nH]c21 ZINC000815955293 632339697 /nfs/dbraw/zinc/33/96/97/632339697.db2.gz WFZFAQUACWCDGW-LLVKDONJSA-N 0 1 278.315 2.741 20 30 CFEDMN N#CC(C(=O)Nc1ccccn1)C(=O)[C@@H]1C[C@@H]1C1CCCC1 ZINC000845445056 632437406 /nfs/dbraw/zinc/43/74/06/632437406.db2.gz FYRJSQXRIWWTHK-MCIONIFRSA-N 0 1 297.358 2.555 20 30 CFEDMN C#Cc1cccc(NC(=O)c2cc3[nH]cnc3cc2F)c1 ZINC000816838840 632528874 /nfs/dbraw/zinc/52/88/74/632528874.db2.gz MDRMJYVNVSBIDQ-UHFFFAOYSA-N 0 1 279.274 2.936 20 30 CFEDMN CCOCCCC(=O)C(C#N)=C(O)C1(c2ccccc2)CC1 ZINC000845837957 632577717 /nfs/dbraw/zinc/57/77/17/632577717.db2.gz KLZGCTRJFYUBLC-OAHLLOKOSA-N 0 1 299.370 2.813 20 30 CFEDMN C[C@@H]1C[C@@H]1C(=O)C(C#N)=C(O)C1(c2ccccc2)CC1 ZINC000845843021 632578636 /nfs/dbraw/zinc/57/86/36/632578636.db2.gz XAOGOPPPGGQVHI-KWCYVHTRSA-N 0 1 267.328 2.652 20 30 CFEDMN C[C@H]1C[C@@H]1C(=O)C(C#N)=C(O)C1(c2ccccc2)CC1 ZINC000845846975 632579539 /nfs/dbraw/zinc/57/95/39/632579539.db2.gz XAOGOPPPGGQVHI-FPMFFAJLSA-N 0 1 267.328 2.652 20 30 CFEDMN C[C@H](CC#N)NN=C1CCCCc2ccc(N)cc21 ZINC000817326469 632602768 /nfs/dbraw/zinc/60/27/68/632602768.db2.gz WWSXHEAZJGLWLC-LLVKDONJSA-N 0 1 256.353 2.591 20 30 CFEDMN C#C[C@@H](NCc1cc(OC)c(OC)cc1F)C(C)(C)C ZINC000845973268 632607039 /nfs/dbraw/zinc/60/70/39/632607039.db2.gz WZXTUAVUKXQWQP-OAHLLOKOSA-N 0 1 279.355 2.980 20 30 CFEDMN CCc1ccc(NC(=O)C(C#N)C(=O)[C@@H]2CC23CC3)cc1 ZINC000817714273 632690276 /nfs/dbraw/zinc/69/02/76/632690276.db2.gz OXIZCWDJPVXORW-KBPBESRZSA-N 0 1 282.343 2.696 20 30 CFEDMN N#CC(C(=O)Nc1ccc(Cl)cc1)C(=O)[C@@H]1CC12CC2 ZINC000817714344 632690530 /nfs/dbraw/zinc/69/05/30/632690530.db2.gz QTBNTBMJRSIOPP-NEPJUHHUSA-N 0 1 288.734 2.787 20 30 CFEDMN C=C[C@@H](C)O[N-]C(=O)[C@@H](c1cccc(Cl)c1)[NH+](C)C ZINC000846545953 632733866 /nfs/dbraw/zinc/73/38/66/632733866.db2.gz QWNMWJPAYGHWIF-ZWNOBZJWSA-N 0 1 282.771 2.565 20 30 CFEDMN C=C[C@@H](C)ONC(=O)Cc1csc(-c2ccc(C)o2)n1 ZINC000846545639 632734495 /nfs/dbraw/zinc/73/44/95/632734495.db2.gz YDIANQHPOLHRER-SECBINFHSA-N 0 1 292.360 2.876 20 30 CFEDMN C=C[C@H](C)O[N-]C(=O)[C@@H]1CCCC[N@H+]1Cc1ccccc1 ZINC000846547472 632735539 /nfs/dbraw/zinc/73/55/39/632735539.db2.gz OOCNKPIEASHOMM-HOCLYGCPSA-N 0 1 288.391 2.663 20 30 CFEDMN C#C[C@H]1CCCN(Cc2cnn(Cc3ccccc3)c2)C1 ZINC000847021563 632884931 /nfs/dbraw/zinc/88/49/31/632884931.db2.gz NSGHPDXPXOUCRO-INIZCTEOSA-N 0 1 279.387 2.777 20 30 CFEDMN C#C[C@@H]1CCCN(C[C@@H](O)c2ccc(Cl)c(F)c2)C1 ZINC000847021941 632886856 /nfs/dbraw/zinc/88/68/56/632886856.db2.gz QVCFBIKBNQURKK-IAQYHMDHSA-N 0 1 281.758 2.858 20 30 CFEDMN C#C[C@@H]1CCCN([C@@H](C)C(=O)Nc2ccc(CC)cc2)C1 ZINC000847031773 632896032 /nfs/dbraw/zinc/89/60/32/632896032.db2.gz UTJFMXCDNKTJJG-GOEBONIOSA-N 0 1 284.403 2.921 20 30 CFEDMN C#C[C@@H]1CCCN([C@H](C)C(=O)Nc2cccc(C)c2)C1 ZINC000847031848 632896696 /nfs/dbraw/zinc/89/66/96/632896696.db2.gz VBUCDLRYGWSCOS-HUUCEWRRSA-N 0 1 270.376 2.667 20 30 CFEDMN CCCCCCCC(=O)N1CCN(C)C[C@@H]1CC ZINC000818971270 632918732 /nfs/dbraw/zinc/91/87/32/632918732.db2.gz MPUJHDNMBLODHM-AWEZNQCLSA-N 0 1 254.418 2.900 20 30 CFEDMN C#CC(C)(C)NC(=O)c1cccc(C(F)(F)F)c1O ZINC000847494058 632993336 /nfs/dbraw/zinc/99/33/36/632993336.db2.gz SALQUYVQSNWREU-UHFFFAOYSA-N 0 1 271.238 2.553 20 30 CFEDMN Cc1cccc2c(C(=O)N=C3C[C@@H](C)ON3)coc21 ZINC000819439912 633162817 /nfs/dbraw/zinc/16/28/17/633162817.db2.gz ALLKQIOBBSORFD-SECBINFHSA-N 0 1 258.277 2.593 20 30 CFEDMN C=C[C@H](C)O[N-]C(=O)[C@@H](c1ccc(Cl)cc1)[NH+](C)C ZINC000848244784 633222937 /nfs/dbraw/zinc/22/29/37/633222937.db2.gz DRQPOEUZMKPBEO-GXFFZTMASA-N 0 1 282.771 2.565 20 30 CFEDMN C#C[C@@H]1CCCN(C(=O)c2cccc(C(F)(F)F)c2O)C1 ZINC000848275413 633228575 /nfs/dbraw/zinc/22/85/75/633228575.db2.gz NKYDOPPVIWIWMW-SNVBAGLBSA-N 0 1 297.276 2.896 20 30 CFEDMN C#C[C@@H]1CCCN(C(=O)[C@@H](c2ccccc2)N(C)CC)C1 ZINC000848284780 633232600 /nfs/dbraw/zinc/23/26/00/633232600.db2.gz MUCUUHPMCNFGPG-NVXWUHKLSA-N 0 1 284.403 2.551 20 30 CFEDMN C#C[C@H]1CCCN(C(=O)c2ccc(CN(CC)CC)o2)C1 ZINC000848286002 633233352 /nfs/dbraw/zinc/23/33/52/633233352.db2.gz YNUPCMUXHAYHOL-AWEZNQCLSA-N 0 1 288.391 2.607 20 30 CFEDMN Cc1c(N=NC2CCCn3ccnc32)cccc1[N+](=O)[O-] ZINC000848405660 633250153 /nfs/dbraw/zinc/25/01/53/633250153.db2.gz TUXVZYUJPVOALM-UHFFFAOYSA-N 0 1 285.307 2.710 20 30 CFEDMN N#Cc1ccc(CNN=C2CCCN3CCCC[C@@H]23)cc1 ZINC000848406138 633250478 /nfs/dbraw/zinc/25/04/78/633250478.db2.gz BLCXQTJBIKDMQE-KRWDZBQOSA-N 0 1 282.391 2.652 20 30 CFEDMN Cc1cc2c(c(C)c1)C(=NNc1cnn(C)c1)CC2 ZINC000848409032 633251220 /nfs/dbraw/zinc/25/12/20/633251220.db2.gz JRIKTCYKIHPIJX-UHFFFAOYSA-N 0 1 254.337 2.799 20 30 CFEDMN N#C[C@H]1CCC[C@@H](NCc2noc3ccccc23)C1 ZINC000848575525 633294822 /nfs/dbraw/zinc/29/48/22/633294822.db2.gz RTVLNOIRQASASF-NWDGAFQWSA-N 0 1 255.321 3.000 20 30 CFEDMN C#C[C@H](CC)NCc1cn(-c2ccc(C)cc2)nc1C ZINC000848910345 633395487 /nfs/dbraw/zinc/39/54/87/633395487.db2.gz JNXOVOYRLUEDNT-MRXNPFEDSA-N 0 1 267.376 2.991 20 30 CFEDMN C#C[C@@H]1CCCN(Cc2cc3c(cc2OC)C[C@H](C)O3)C1 ZINC000848923231 633405262 /nfs/dbraw/zinc/40/52/62/633405262.db2.gz HFXQGCKTMMSGCW-UONOGXRCSA-N 0 1 285.387 2.864 20 30 CFEDMN C#C[C@H]1CCCN(Cc2c(OC)cc(OC)cc2OC)C1 ZINC000848923744 633406723 /nfs/dbraw/zinc/40/67/23/633406723.db2.gz PLYCZEVCNFTFCM-ZDUSSCGKSA-N 0 1 289.375 2.558 20 30 CFEDMN C#C[C@H]1CCCN(Cc2cnn(Cc3ccc(F)cc3)c2)C1 ZINC000848924426 633407026 /nfs/dbraw/zinc/40/70/26/633407026.db2.gz SESAOURRLVUBJL-HNNXBMFYSA-N 0 1 297.377 2.916 20 30 CFEDMN CCCCCCCCNC(=[NH2+])NCc1ncccc1[O-] ZINC000849023987 633466306 /nfs/dbraw/zinc/46/63/06/633466306.db2.gz CDBYHLCZRHPTHG-UHFFFAOYSA-N 0 1 278.400 2.762 20 30 CFEDMN C#CC[C@@H]1CCC[N@H+]([C@@H](C(=O)[O-])c2ccccc2C)C1 ZINC000849344556 633622742 /nfs/dbraw/zinc/62/27/42/633622742.db2.gz OQPJUEJQSLRJBJ-GDBMZVCRSA-N 0 1 271.360 2.856 20 30 CFEDMN C#CC[C@@H]1CCC[N@H+](Cc2ccsc2C(=O)[O-])C1 ZINC000849344225 633623263 /nfs/dbraw/zinc/62/32/63/633623263.db2.gz FKQYHRLENAPXOM-LLVKDONJSA-N 0 1 263.362 2.682 20 30 CFEDMN C=CCCn1cc(CNc2cc3c(cn2)CCCC3)nn1 ZINC000849345806 633623731 /nfs/dbraw/zinc/62/37/31/633623731.db2.gz JURQCMQMEXSLIO-UHFFFAOYSA-N 0 1 283.379 2.740 20 30 CFEDMN C=C(Cl)C[N@@H+]1CC[C@H](C(=O)[O-])[C@H]2CCCC[C@@H]21 ZINC000849346718 633624770 /nfs/dbraw/zinc/62/47/70/633624770.db2.gz XXVPLIJBXJVLTM-WOPDTQHZSA-N 0 1 257.761 2.704 20 30 CFEDMN C=CCC(C)(C)C(=O)O[C@H](C)c1n[nH]c(CC)n1 ZINC000849782180 633716573 /nfs/dbraw/zinc/71/65/73/633716573.db2.gz VEQSNLIPVMVGBD-SECBINFHSA-N 0 1 251.330 2.574 20 30 CFEDMN C=C(Cl)CNCc1ccc(O[C@@H](C)COC)cc1 ZINC000850143341 633854198 /nfs/dbraw/zinc/85/41/98/633854198.db2.gz FFTARIWFLHHINY-LBPRGKRZSA-N 0 1 269.772 2.942 20 30 CFEDMN N#Cc1csc(CN[C@@H]2C[C@@H](O)c3ccccc32)c1 ZINC000850371979 633962648 /nfs/dbraw/zinc/96/26/48/633962648.db2.gz NWTOOPMKHMEVCR-HUUCEWRRSA-N 0 1 270.357 2.888 20 30 CFEDMN C#C[C@H](N[C@@H](C)c1ccc(C(F)F)nc1)[C@H]1CCCO1 ZINC000850461212 634002777 /nfs/dbraw/zinc/00/27/77/634002777.db2.gz GTVKSVKRFFFCSC-VHRBIJSZSA-N 0 1 280.318 2.851 20 30 CFEDMN C#C[C@H](N[C@H](C)c1cc2cnccc2o1)[C@H]1CCCO1 ZINC000850462426 634003876 /nfs/dbraw/zinc/00/38/76/634003876.db2.gz QBKDOARLMXYTHY-OSAQELSMSA-N 0 1 270.332 2.659 20 30 CFEDMN C=C[C@H](CO)[NH2+][C@H](CC)c1ccc(C(F)(F)F)cc1[O-] ZINC000850573375 634058517 /nfs/dbraw/zinc/05/85/17/634058517.db2.gz YUKDLXULWODYSR-ZYHUDNBSSA-N 0 1 289.297 2.999 20 30 CFEDMN CO[C@@H](C(=O)C(C#N)c1nc(C)cs1)C1CCCC1 ZINC000850737085 634068590 /nfs/dbraw/zinc/06/85/90/634068590.db2.gz QINXICZNUKDHFD-DGCLKSJQSA-N 0 1 278.377 2.833 20 30 CFEDMN CCCCCCNC(=O)[C@H](C#N)C(=O)[C@@H]1CCC1(C)C ZINC000850751587 634079526 /nfs/dbraw/zinc/07/95/26/634079526.db2.gz DNUDEZYUYKZDEH-OLZOCXBDSA-N 0 1 278.396 2.828 20 30 CFEDMN CCCCCCNC(=O)C(C#N)C(=O)C1CC2(CC2)C1 ZINC000850752510 634079674 /nfs/dbraw/zinc/07/96/74/634079674.db2.gz PEDMFJVCOFBOJI-ZDUSSCGKSA-N 0 1 276.380 2.582 20 30 CFEDMN CC1(C)OC[C@@H]2C[C@@]21C(=O)C(C#N)c1nc2ccccc2o1 ZINC000850782376 634091159 /nfs/dbraw/zinc/09/11/59/634091159.db2.gz LWYLFOGFAMOUMV-RVPKQNPDSA-N 0 1 296.326 2.819 20 30 CFEDMN N#C[C@H](C(=O)[C@@H]1CCCC2(CC2)C1)c1ccncn1 ZINC000850947692 634148786 /nfs/dbraw/zinc/14/87/86/634148786.db2.gz JNGXAPIMPOAJHL-NEPJUHHUSA-N 0 1 255.321 2.623 20 30 CFEDMN C[C@@H](CC#N)C(=O)C(C#N)=C(O)C1(c2ccccc2)CC1 ZINC000851109468 634226045 /nfs/dbraw/zinc/22/60/45/634226045.db2.gz KGJKSQDFUFSDHI-GXTWGEPZSA-N 0 1 280.327 2.546 20 30 CFEDMN N#CC(C(=O)CCCF)=C(O)C1(c2ccccc2)CC1 ZINC000851108387 634226118 /nfs/dbraw/zinc/22/61/18/634226118.db2.gz BHZXHKFTQGYYGS-CYBMUJFWSA-N 0 1 273.307 2.746 20 30 CFEDMN C#Cc1cccnc1NC[C@@H](C)N1CCc2sccc2C1 ZINC000853151383 634920623 /nfs/dbraw/zinc/92/06/23/634920623.db2.gz OVFLSTCESMSOKA-CYBMUJFWSA-N 0 1 297.427 2.983 20 30 CFEDMN C=CC1CCN(Cn2nccc2-c2cccnc2)CC1 ZINC000111166600 634937573 /nfs/dbraw/zinc/93/75/73/634937573.db2.gz ZXRSTKVANXPLBE-UHFFFAOYSA-N 0 1 268.364 2.801 20 30 CFEDMN Cc1c(C=NNCCN2CCCCC2)c2ccccc2n1C ZINC000853291510 634960013 /nfs/dbraw/zinc/96/00/13/634960013.db2.gz JIOVMXAVQPHRCC-UHFFFAOYSA-N 0 1 298.434 2.896 20 30 CFEDMN Cc1cc(NN=Cc2cccc(OC3CC3)c2F)ncn1 ZINC000853306605 634963900 /nfs/dbraw/zinc/96/39/00/634963900.db2.gz RRMUORIFIHRFHS-UHFFFAOYSA-N 0 1 286.310 2.911 20 30 CFEDMN Cc1cccc2[nH]c(C=NNC3=N[C@@H]4CCCC[C@H]4N3)cc21 ZINC000853324535 634969178 /nfs/dbraw/zinc/96/91/78/634969178.db2.gz JUBXCQUYPWGWRE-HZPDHXFCSA-N 0 1 295.390 2.670 20 30 CFEDMN C(=NOC1CCCC1)c1ccnn1-c1ccncc1 ZINC000853328073 634970683 /nfs/dbraw/zinc/97/06/83/634970683.db2.gz LVKMUUAIURAARM-UHFFFAOYSA-N 0 1 256.309 2.560 20 30 CFEDMN CC(=NNc1nccn1C)c1ccc2c(c1)CCCO2 ZINC000853339890 634976128 /nfs/dbraw/zinc/97/61/28/634976128.db2.gz DWBHXQUVMDAACQ-UHFFFAOYSA-N 0 1 270.336 2.581 20 30 CFEDMN C[C@H]1CCCCN1N=Cc1cc(O)ccc1[N+](=O)[O-] ZINC000853379380 634987626 /nfs/dbraw/zinc/98/76/26/634987626.db2.gz ICXXOWMTWJIITI-JTQLQIEISA-N 0 1 263.297 2.509 20 30 CFEDMN Cc1nnc(NN=Cc2ccc(C(F)(F)F)s2)n1C ZINC000853432560 634997610 /nfs/dbraw/zinc/99/76/10/634997610.db2.gz YVKUHLPZDIRXIF-UHFFFAOYSA-N 0 1 289.286 2.650 20 30 CFEDMN Cc1nnc(N=NCc2cnc(C3CCCC3)s2)n1C ZINC000853432629 634997880 /nfs/dbraw/zinc/99/78/80/634997880.db2.gz BVZJUVZVFPXIIG-UHFFFAOYSA-N 0 1 290.396 2.684 20 30 CFEDMN Cc1nn(-c2ccccc2)c(N)c1C=NOCC1CCC1 ZINC000853440837 635001363 /nfs/dbraw/zinc/00/13/63/635001363.db2.gz JZMUFKMFCCQDEQ-UHFFFAOYSA-N 0 1 284.363 2.914 20 30 CFEDMN C#C[C@@H](C)N(C)c1nccc2cc(OC)c(OC)cc21 ZINC000853540606 635032239 /nfs/dbraw/zinc/03/22/39/635032239.db2.gz MEXHCDFAINZZLK-LLVKDONJSA-N 0 1 270.332 2.710 20 30 CFEDMN C=C1C[C@H]2CC[C@@H](C1)N2CN1C(=O)[C@@H](C2CC2)[C@@H]1C1CC1 ZINC000853598474 635046133 /nfs/dbraw/zinc/04/61/33/635046133.db2.gz RQSBDPTXJDJWSG-YVSFHVDLSA-N 0 1 286.419 2.774 20 30 CFEDMN C=C(CC[NH+](C)C)C(=O)Nc1cc(F)c([O-])cc1Cl ZINC000885680567 635314766 /nfs/dbraw/zinc/31/47/66/635314766.db2.gz UNEZNNPCCZQTTC-UHFFFAOYSA-N 0 1 286.734 2.631 20 30 CFEDMN CCOc1cncc(CNCc2ccc(OC)c(C#N)c2)c1 ZINC000856776177 635857103 /nfs/dbraw/zinc/85/71/03/635857103.db2.gz XPXZKSBXNQRCII-UHFFFAOYSA-N 0 1 297.358 2.650 20 30 CFEDMN CC1(c2ccccc2)CN(C[C@H](O)c2ccc(C#N)cc2)C1 ZINC000857212526 635948547 /nfs/dbraw/zinc/94/85/47/635948547.db2.gz OYJCRTKNCMAZBT-SFHVURJKSA-N 0 1 292.382 2.865 20 30 CFEDMN CCCCCCCNC(=O)N[C@H](C)Cc1cc(C)[nH]n1 ZINC000858110443 636128280 /nfs/dbraw/zinc/12/82/80/636128280.db2.gz CEYJZJLWJFBWNK-GFCCVEGCSA-N 0 1 280.416 2.919 20 30 CFEDMN C[C@@H](NCc1ccnc(F)c1)c1ccc(OCC#N)cc1 ZINC000858130392 636135627 /nfs/dbraw/zinc/13/56/27/636135627.db2.gz JOLOQTGKYZNTMS-GFCCVEGCSA-N 0 1 285.322 2.974 20 30 CFEDMN N#CC(C(=O)C[C@H]1OCCc2ccccc21)c1ccccn1 ZINC000115903223 636138792 /nfs/dbraw/zinc/13/87/92/636138792.db2.gz JSNCZLCRKYHOGX-MAUKXSAKSA-N 0 1 292.338 2.962 20 30 CFEDMN N#CC(C(=O)C[C@H]1OCCc2ccccc21)c1ccccn1 ZINC000115903231 636139117 /nfs/dbraw/zinc/13/91/17/636139117.db2.gz JSNCZLCRKYHOGX-CRAIPNDOSA-N 0 1 292.338 2.962 20 30 CFEDMN C#CCCN1CC[C@@H]1CN(C)C(=O)c1csc(Cl)c1 ZINC001085854072 782188373 /nfs/dbraw/zinc/18/83/73/782188373.db2.gz OZNYZOIPSWDJDM-GFCCVEGCSA-N 0 1 296.823 2.571 20 30 CFEDMN CC[C@@H]1CO[C@H](C)CN1CCCOc1ccc(C#N)cc1 ZINC000048068816 650254551 /nfs/dbraw/zinc/25/45/51/650254551.db2.gz HUVSCJHVFSFZFO-GDBMZVCRSA-N 0 1 288.391 2.826 20 30 CFEDMN C=CC[C@@H]1CC[N@@H+](Cc2cc(=O)oc3cc([O-])ccc23)C1 ZINC000859445742 636566725 /nfs/dbraw/zinc/56/67/25/636566725.db2.gz UDHPSYVVGLGOAP-GFCCVEGCSA-N 0 1 285.343 2.897 20 30 CFEDMN C=CC[C@@H]1CC[N@H+](Cc2cc(=O)oc3cc([O-])ccc23)C1 ZINC000859445742 636566730 /nfs/dbraw/zinc/56/67/30/636566730.db2.gz UDHPSYVVGLGOAP-GFCCVEGCSA-N 0 1 285.343 2.897 20 30 CFEDMN CN(Cc1ccccc1F)C[C@H](O)c1ccc(C#N)cc1 ZINC000048873786 650281352 /nfs/dbraw/zinc/28/13/52/650281352.db2.gz CVLVRXWKTSFFDX-KRWDZBQOSA-N 0 1 284.334 2.863 20 30 CFEDMN CCC(C#N)(CC)C(=O)OCc1cc(O)ccc1[N+](=O)[O-] ZINC000860199498 636824825 /nfs/dbraw/zinc/82/48/25/636824825.db2.gz CHKQIFQINDIPED-UHFFFAOYSA-N 0 1 292.291 2.674 20 30 CFEDMN CCOc1ccccc1NC(=O)C(C#N)C(=O)C12CC(C1)C2 ZINC000860471708 636892423 /nfs/dbraw/zinc/89/24/23/636892423.db2.gz QRZLRFGLWHEDFA-JKGQDXBKSA-N 0 1 298.342 2.533 20 30 CFEDMN C=CCC[C@@H](C(=O)OCCN1CCC1)c1ccccc1 ZINC000861389754 637187018 /nfs/dbraw/zinc/18/70/18/637187018.db2.gz XFRFSVZDBZOMTI-MRXNPFEDSA-N 0 1 273.376 2.985 20 30 CFEDMN CCCCCCCNC(=O)N1CCNC[C@H]1C(C)C ZINC000861655616 637224538 /nfs/dbraw/zinc/22/45/38/637224538.db2.gz WAHPJJRUOZNMOC-AWEZNQCLSA-N 0 1 269.433 2.596 20 30 CFEDMN C#C[C@H](C)N(C)Cc1ccc(OC)c(OC2CC2)c1 ZINC000862349355 637325194 /nfs/dbraw/zinc/32/51/94/637325194.db2.gz ZBMBYZHJANARMB-LBPRGKRZSA-N 0 1 259.349 2.690 20 30 CFEDMN C#CCCN(CCOC)Cc1ccc(F)c(F)c1N(C)C ZINC000862418327 637371133 /nfs/dbraw/zinc/37/11/33/637371133.db2.gz NNAIFHAXDOXGQR-UHFFFAOYSA-N 0 1 296.361 2.503 20 30 CFEDMN C#CC[C@H]1CCN(Cc2c(Cl)nc3ccccn32)C1 ZINC000862442779 637382412 /nfs/dbraw/zinc/38/24/12/637382412.db2.gz HPZHEZDKZKSNCV-LBPRGKRZSA-N 0 1 273.767 2.833 20 30 CFEDMN C#CC[C@H]1CCN(Cc2occc2Br)C1 ZINC000862444660 637385544 /nfs/dbraw/zinc/38/55/44/637385544.db2.gz FJFOEAULHGMUNL-JTQLQIEISA-N 0 1 268.154 2.887 20 30 CFEDMN C#CC[C@H]1CCN(Cc2nccn2-c2ccccc2)C1 ZINC000862444474 637386088 /nfs/dbraw/zinc/38/60/88/637386088.db2.gz ARXQFGKDWVEDQH-HNNXBMFYSA-N 0 1 265.360 2.718 20 30 CFEDMN C#CC[C@@H]1CCN(C(=O)c2cn[nH]c2-c2ccccc2F)C1 ZINC000862568452 637434913 /nfs/dbraw/zinc/43/49/13/637434913.db2.gz CTHMYOIZFUDPCI-GFCCVEGCSA-N 0 1 297.333 2.701 20 30 CFEDMN C#CC[C@@H]1CCN(C(=O)c2cc(C3CCCCC3)[nH]n2)C1 ZINC000862572074 637438136 /nfs/dbraw/zinc/43/81/36/637438136.db2.gz YOVWHRKUZKEZSS-CYBMUJFWSA-N 0 1 285.391 2.943 20 30 CFEDMN CCCCCCCC(=O)NC1(c2nnc[nH]2)CCC1 ZINC000188760339 650344932 /nfs/dbraw/zinc/34/49/32/650344932.db2.gz IEMYBBRNRRBDIS-UHFFFAOYSA-N 0 1 264.373 2.661 20 30 CFEDMN Cc1cnccc1NN=Cc1ccc([C@@H]2C[C@@H]2C)o1 ZINC000863157106 637571631 /nfs/dbraw/zinc/57/16/31/637571631.db2.gz IOGICQWWUKBZKV-GXFFZTMASA-N 0 1 255.321 2.974 20 30 CFEDMN CCn1c(C)cc(C=NNc2ccncc2C)c1C ZINC000863157237 637571674 /nfs/dbraw/zinc/57/16/74/637571674.db2.gz JVIOODPCBGKJBX-UHFFFAOYSA-N 0 1 256.353 2.696 20 30 CFEDMN C[C@@H]1CN(C)CC1N=Nc1cccc(F)c1Cl ZINC000863158711 637572946 /nfs/dbraw/zinc/57/29/46/637572946.db2.gz MWGLHRVYLAQSMW-MRVPVSSYSA-N 0 1 255.724 2.829 20 30 CFEDMN COCCOc1cccc(C=NNc2cccc(C)n2)c1 ZINC000863162202 637575744 /nfs/dbraw/zinc/57/57/44/637575744.db2.gz XNYYEXUNHKKASX-UHFFFAOYSA-N 0 1 285.347 2.861 20 30 CFEDMN FC(F)(F)c1cc(N=NC2CCn3ccnc32)ccn1 ZINC000863178809 637579279 /nfs/dbraw/zinc/57/92/79/637579279.db2.gz GQAMZDPYHDSSJD-UHFFFAOYSA-N 0 1 281.241 2.517 20 30 CFEDMN FC(F)(F)c1cc(N=NC2C[N@H+]3C[C@@H]2CCC3)ccn1 ZINC000863178953 637579809 /nfs/dbraw/zinc/57/98/09/637579809.db2.gz LQCRFZLOIJIXLK-VIFPVBQESA-N 0 1 284.285 2.594 20 30 CFEDMN FC(F)(F)c1cc(N=NC2CN3C[C@@H]2CCC3)ccn1 ZINC000863178953 637579812 /nfs/dbraw/zinc/57/98/12/637579812.db2.gz LQCRFZLOIJIXLK-VIFPVBQESA-N 0 1 284.285 2.594 20 30 CFEDMN C#CCN1CCC(C(=O)N2CCC[C@H](C/C=C/C)C2)CC1 ZINC000863815649 637788268 /nfs/dbraw/zinc/78/82/68/637788268.db2.gz ZHXFDFSEARHNTG-WMHVBEDNSA-N 0 1 288.435 2.536 20 30 CFEDMN CCCCCCCC(=O)N1CC[C@H](c2[nH]ncc2N)C1 ZINC000864379482 637955844 /nfs/dbraw/zinc/95/58/44/637955844.db2.gz OFXQIJNNDLWCBB-LBPRGKRZSA-N 0 1 278.400 2.668 20 30 CFEDMN C=C(C)C[C@@H]([NH2+]Cc1csc(C(C)(C)C)n1)C(=O)[O-] ZINC000864529013 638013348 /nfs/dbraw/zinc/01/33/48/638013348.db2.gz BLURXUZXIKNLRP-LLVKDONJSA-N 0 1 282.409 2.950 20 30 CFEDMN CCN(C[C@H](C)C#N)C(=O)c1c(Cl)[nH]nc1C1CC1 ZINC000864904484 638120058 /nfs/dbraw/zinc/12/00/58/638120058.db2.gz HBVCSJJOOXNONH-MRVPVSSYSA-N 0 1 280.759 2.562 20 30 CFEDMN CCCCCCCCCN(C)C(=O)Cc1ncn[nH]1 ZINC000864973047 638140222 /nfs/dbraw/zinc/14/02/22/638140222.db2.gz SVBITULEURKVQP-UHFFFAOYSA-N 0 1 266.389 2.556 20 30 CFEDMN CCCCCCCCCN(C)C(=O)[C@H](O)c1c[nH]cn1 ZINC000864972384 638142759 /nfs/dbraw/zinc/14/27/59/638142759.db2.gz LKFCZRMBSFYKEG-CQSZACIVSA-N 0 1 281.400 2.652 20 30 CFEDMN CCCn1cc(/C=C/C(=O)c2ccc(C)cc2O)nn1 ZINC000865220791 638226170 /nfs/dbraw/zinc/22/61/70/638226170.db2.gz QGOHYRGBWJXTSC-FNORWQNLSA-N 0 1 271.320 2.598 20 30 CFEDMN C[C@@H]1CCC[C@@H](C(=O)C(C#N)C(=O)NCc2ccccc2)C1 ZINC000076826007 650406199 /nfs/dbraw/zinc/40/61/99/650406199.db2.gz OARXGZSOVQVEIP-FVQBIDKESA-N 0 1 298.386 2.838 20 30 CFEDMN CCN1CCN(c2cc(C(F)(F)F)cc(C#N)n2)C[C@H]1C ZINC000865638290 638479996 /nfs/dbraw/zinc/47/99/96/638479996.db2.gz ATHWYKCJTQKYTR-SNVBAGLBSA-N 0 1 298.312 2.502 20 30 CFEDMN C[C@H](NCc1cccc(OCCCC#N)c1)c1ccnn1C ZINC000865838120 638603386 /nfs/dbraw/zinc/60/33/86/638603386.db2.gz DAPKTYIFFZINEC-AWEZNQCLSA-N 0 1 298.390 2.953 20 30 CFEDMN C=CCOc1cccc(CN[C@@H](C)c2ccnn2C)c1 ZINC000865839405 638604761 /nfs/dbraw/zinc/60/47/61/638604761.db2.gz MIHDATXYUVRSDG-ZDUSSCGKSA-N 0 1 271.364 2.836 20 30 CFEDMN C=CCOc1cccc(CN[C@H](C)c2ccnn2C)c1 ZINC000865839404 638605390 /nfs/dbraw/zinc/60/53/90/638605390.db2.gz MIHDATXYUVRSDG-CYBMUJFWSA-N 0 1 271.364 2.836 20 30 CFEDMN N#Cc1ccc2c(c1)C[C@H](NCc1ncc(Cl)s1)C2 ZINC000865847126 638610599 /nfs/dbraw/zinc/61/05/99/638610599.db2.gz HGXYQTTURGPRMR-GFCCVEGCSA-N 0 1 289.791 2.925 20 30 CFEDMN CC(C)(CC#N)CNc1ccncc1C(F)(F)F ZINC000865869533 638628073 /nfs/dbraw/zinc/62/80/73/638628073.db2.gz FTMAXAUMUXVIKF-UHFFFAOYSA-N 0 1 257.259 2.874 20 30 CFEDMN C=CCOCCCNc1ccncc1C(F)(F)F ZINC000865943204 638669830 /nfs/dbraw/zinc/66/98/30/638669830.db2.gz HXIZNWSCUYOPTH-UHFFFAOYSA-N 0 1 260.259 2.527 20 30 CFEDMN Cc1cc(C[C@@H](C)[NH2+][C@@H](C)c2cccc(C#N)c2[O-])n[nH]1 ZINC000866307225 638794183 /nfs/dbraw/zinc/79/41/83/638794183.db2.gz UWSTWRKIHVGKRQ-PWSUYJOCSA-N 0 1 284.363 2.577 20 30 CFEDMN C[C@@H]([NH2+]C1CC(N2CCCCC2)C1)c1cccc(C#N)c1[O-] ZINC000866352432 638802497 /nfs/dbraw/zinc/80/24/97/638802497.db2.gz WQJHLYICEGPFKP-IUDNXUCKSA-N 0 1 299.418 2.931 20 30 CFEDMN CN(C(=O)[C@@H]1NCCc2cc(C#N)ccc21)C1CCCCC1 ZINC000867941521 638907150 /nfs/dbraw/zinc/90/71/50/638907150.db2.gz HDLQUSDBKMZPIM-QGZVFWFLSA-N 0 1 297.402 2.536 20 30 CFEDMN CCN(C(=O)[C@@H]1NCCc2cc(C#N)ccc21)C1CCCC1 ZINC000867944397 638907529 /nfs/dbraw/zinc/90/75/29/638907529.db2.gz VPXYGULEEIWVHW-QGZVFWFLSA-N 0 1 297.402 2.536 20 30 CFEDMN CCC(C)(C)[C@@H](C)NC(=O)[C@H]1NCCc2cc(C#N)ccc21 ZINC000867984760 638911258 /nfs/dbraw/zinc/91/12/58/638911258.db2.gz SABBLKDTCBNMAT-WBMJQRKESA-N 0 1 299.418 2.686 20 30 CFEDMN C=C[C@@H](C)ONC(=O)C(C)(C)c1cccc(OC)c1 ZINC000869154475 639050489 /nfs/dbraw/zinc/05/04/89/639050489.db2.gz SZTNMXCFVXCDOH-LLVKDONJSA-N 0 1 263.337 2.595 20 30 CFEDMN C=C[C@H](C)ONC(=O)C(C)(C)c1cccc(OC)c1 ZINC000869154480 639050734 /nfs/dbraw/zinc/05/07/34/639050734.db2.gz SZTNMXCFVXCDOH-NSHDSACASA-N 0 1 263.337 2.595 20 30 CFEDMN C=C[C@@H](C)ONC(=O)[C@H]1Cc2ccc(Cl)cc21 ZINC000869154499 639050847 /nfs/dbraw/zinc/05/08/47/639050847.db2.gz UAQZWDMAZIKDSD-PELKAZGASA-N 0 1 251.713 2.602 20 30 CFEDMN CC(C)(C)[C@@H]1C[C@H]1C(=O)C(C#N)C(=O)NC1CCCCC1 ZINC000870136577 639527640 /nfs/dbraw/zinc/52/76/40/639527640.db2.gz LPQWTOLEXVOMAI-HZSPNIEDSA-N 0 1 290.407 2.826 20 30 CFEDMN N#Cc1cccc(ONC(=O)C23CCC(CC2)C3)c1 ZINC000870691405 639773442 /nfs/dbraw/zinc/77/34/42/639773442.db2.gz KGLWNHGDQSLAMB-UHFFFAOYSA-N 0 1 256.305 2.549 20 30 CFEDMN CC(C)[C@]1(C)C[C@H]1C(=O)NOc1cccc(C#N)c1 ZINC000870691196 639773914 /nfs/dbraw/zinc/77/39/14/639773914.db2.gz GWEOOJNBXLDAPV-ZFWWWQNUSA-N 0 1 258.321 2.650 20 30 CFEDMN CC(C)SCC(=O)Nc1nc2ccc(C#N)cc2[nH]1 ZINC000871070060 641183328 /nfs/dbraw/zinc/18/33/28/641183328.db2.gz FPRGYOCKCJHSSZ-UHFFFAOYSA-N 0 1 274.349 2.515 20 30 CFEDMN C/C(=C\C(=O)Nc1nc2ccc(C#N)cc2[nH]1)C1CC1 ZINC000871069917 641183810 /nfs/dbraw/zinc/18/38/10/641183810.db2.gz BXWMQYSFEIKIJI-RMKNXTFCSA-N 0 1 266.304 2.729 20 30 CFEDMN N#Cc1ccc2nc(NC(=O)[C@@H]3CC[C@H]4C[C@H]4C3)[nH]c2c1 ZINC000871071209 641184844 /nfs/dbraw/zinc/18/48/44/641184844.db2.gz BFFUWRWUOJGGIY-TUAOUCFPSA-N 0 1 280.331 2.809 20 30 CFEDMN C[C@H](CC(=O)Nc1nc2ccc(C#N)cc2[nH]1)C(F)(F)F ZINC000871070703 641185096 /nfs/dbraw/zinc/18/50/96/641185096.db2.gz BIZJWRUNXMEPPH-SSDOTTSWSA-N 0 1 296.252 2.962 20 30 CFEDMN C#CCCCCCC(=O)Nc1nc2ccc(C#N)cc2[nH]1 ZINC000871072692 641186613 /nfs/dbraw/zinc/18/66/13/641186613.db2.gz OHEMCJDKOZIKNL-UHFFFAOYSA-N 0 1 280.331 2.957 20 30 CFEDMN N#Cc1ccc2nc(NC(=O)C[C@@H]3CC[C@H]4C[C@H]43)[nH]c2c1 ZINC000871072363 641187040 /nfs/dbraw/zinc/18/70/40/641187040.db2.gz KFGQCVACNFBVET-SDDRHHMPSA-N 0 1 280.331 2.809 20 30 CFEDMN CCC1=C(C(=O)Nc2nc3ccc(C#N)cc3[nH]2)CCCO1 ZINC000871073360 641187753 /nfs/dbraw/zinc/18/77/53/641187753.db2.gz YZPOQNLFKIMYGT-UHFFFAOYSA-N 0 1 296.330 2.848 20 30 CFEDMN C=CC[C@H](CO)CN[C@H](C)c1c(F)cccc1[N+](=O)[O-] ZINC000872054597 641589472 /nfs/dbraw/zinc/58/94/72/641589472.db2.gz ZMSPTQPUUUTYEK-MNOVXSKESA-N 0 1 282.315 2.569 20 30 CFEDMN C=C[C@@H]1OCC[C@H]1N[C@H](C)c1cccc(O)c1F ZINC000872075418 641607937 /nfs/dbraw/zinc/60/79/37/641607937.db2.gz CMZQGFBXQPYRFF-XWIASGKRSA-N 0 1 251.301 2.525 20 30 CFEDMN C#CC[C@H]1CCC[N@H+](Cc2ccc(C)c(C(=O)[O-])c2)C1 ZINC000872160720 641682861 /nfs/dbraw/zinc/68/28/61/641682861.db2.gz MNMNDYCPDLJMAK-AWEZNQCLSA-N 0 1 271.360 2.929 20 30 CFEDMN N#CCCNCC1(c2ccc(Br)cc2)CC1 ZINC000872247056 641715804 /nfs/dbraw/zinc/71/58/04/641715804.db2.gz KHYNGBKUPRZQCN-UHFFFAOYSA-N 0 1 279.181 2.984 20 30 CFEDMN Cc1scc(C=NNCCN2CCCCC2)c1C ZINC000872343550 641760418 /nfs/dbraw/zinc/76/04/18/641760418.db2.gz FVZHMXRTPYZSFP-UHFFFAOYSA-N 0 1 265.426 2.774 20 30 CFEDMN COc1c(C)cnc(CN=Nc2ccc(C)cn2)c1C ZINC000872347723 641761724 /nfs/dbraw/zinc/76/17/24/641761724.db2.gz FLECYWYYAYHMND-UHFFFAOYSA-N 0 1 270.336 2.856 20 30 CFEDMN CC1(C)C[C@H](NN=Cc2ccc(F)c(F)c2O)CCO1 ZINC000872365731 641772337 /nfs/dbraw/zinc/77/23/37/641772337.db2.gz DHQKLCXFPYVCRP-SNVBAGLBSA-N 0 1 284.306 2.552 20 30 CFEDMN CCNc1ccccc1C=NNCCc1ccccn1 ZINC000872371759 641776783 /nfs/dbraw/zinc/77/67/83/641776783.db2.gz REQDGZIGRDTALN-UHFFFAOYSA-N 0 1 268.364 2.680 20 30 CFEDMN COCCc1ncc(CN=Nc2cccc(Cl)n2)s1 ZINC000872376478 641780795 /nfs/dbraw/zinc/78/07/95/641780795.db2.gz HJOKIXVARNZEJG-UHFFFAOYSA-N 0 1 296.783 2.826 20 30 CFEDMN C[C@H]1CCCCN1N=Cc1ccc(F)c(F)c1O ZINC000872388590 641787151 /nfs/dbraw/zinc/78/71/51/641787151.db2.gz KSNMBNLTRGOICK-VIFPVBQESA-N 0 1 254.280 2.879 20 30 CFEDMN CC(=NN1CCC1)c1[nH]c(-c2ccccc2)nc1C ZINC000872395977 641790914 /nfs/dbraw/zinc/79/09/14/641790914.db2.gz MSPWTNHEKIFBSN-UHFFFAOYSA-N 0 1 254.337 2.815 20 30 CFEDMN Cc1cc(N=NCc2cnc(C(C)(C)C)s2)nc(N)n1 ZINC000872420194 641804477 /nfs/dbraw/zinc/80/44/77/641804477.db2.gz MRZWYOFYUWXSJL-UHFFFAOYSA-N 0 1 290.396 2.567 20 30 CFEDMN C=C(C)CNC(=O)N1CCC[C@H](c2cc(C(C)C)[nH]n2)C1 ZINC000872977840 641975119 /nfs/dbraw/zinc/97/51/19/641975119.db2.gz HISMKLUEVWCESB-ZDUSSCGKSA-N 0 1 290.411 2.998 20 30 CFEDMN CCC[C@H](CC)C(=O)C(C#N)C(=O)NC1CCCC1 ZINC000873499125 642223832 /nfs/dbraw/zinc/22/38/32/642223832.db2.gz XYANMAKZMHGSJG-AAEUAGOBSA-N 0 1 264.369 2.580 20 30 CFEDMN N#CC(C(=O)C1CCC=CCC1)c1nnc2n1CCCCC2 ZINC000873498995 642224315 /nfs/dbraw/zinc/22/43/15/642224315.db2.gz IGEOPBUJJLZUKD-AWEZNQCLSA-N 0 1 298.390 2.927 20 30 CFEDMN CCC[C@H](CC)C(=O)C(C#N)C(=O)Nc1ccccn1 ZINC000873499337 642224474 /nfs/dbraw/zinc/22/44/74/642224474.db2.gz PIYZTVUREIRMNY-NWDGAFQWSA-N 0 1 273.336 2.555 20 30 CFEDMN C=C(Br)CN(C(C)C)C1CCOCC1 ZINC000125505022 642650570 /nfs/dbraw/zinc/65/05/70/642650570.db2.gz QPEZEPZMFHWOFB-UHFFFAOYSA-N 0 1 262.191 2.784 20 30 CFEDMN C=CCONC(=O)N1CCC[C@H](c2cc(C(C)C)[nH]n2)C1 ZINC000875649739 642658718 /nfs/dbraw/zinc/65/87/18/642658718.db2.gz WGKLTZJNWSXTJJ-LBPRGKRZSA-N 0 1 292.383 2.540 20 30 CFEDMN CN(C)c1ccc(C#N)cc1CN(C)C[C@@H]1CCCCO1 ZINC000876634561 642952537 /nfs/dbraw/zinc/95/25/37/642952537.db2.gz VOCJKUVGWPPEGE-INIZCTEOSA-N 0 1 287.407 2.625 20 30 CFEDMN C=CC[C@H](C)NC(=O)[C@H](N)c1cccc(C(F)(F)F)c1 ZINC000876671331 642966554 /nfs/dbraw/zinc/96/65/54/642966554.db2.gz MKLAGAKAWXCMKB-JOYOIKCWSA-N 0 1 286.297 2.786 20 30 CFEDMN C=C1CCN(C[C@@H](CCOC)NC(=O)OC(C)(C)C)CC1 ZINC000876694675 642978055 /nfs/dbraw/zinc/97/80/55/642978055.db2.gz LUHGDBRLDKGPIW-CQSZACIVSA-N 0 1 298.427 2.568 20 30 CFEDMN CCc1ccc([C@@H]2CNCCN2C(=O)C#CC(C)(C)C)cc1 ZINC000876838990 643034773 /nfs/dbraw/zinc/03/47/73/643034773.db2.gz OXOGEQOIEDMDBT-KRWDZBQOSA-N 0 1 298.430 2.771 20 30 CFEDMN N#Cc1ccc(O)c(NC(=O)Cc2cccc(F)c2F)c1 ZINC000088401198 650812222 /nfs/dbraw/zinc/81/22/22/650812222.db2.gz YHBQEVWHHFTTER-UHFFFAOYSA-N 0 1 288.253 2.723 20 30 CFEDMN C=CC[C@@H](NCc1ccc(C(=O)OCC)[nH]1)c1ccncc1 ZINC000877046268 643118743 /nfs/dbraw/zinc/11/87/43/643118743.db2.gz KIYFTRVGJRIMEM-OAHLLOKOSA-N 0 1 299.374 2.993 20 30 CFEDMN CC(C)[C@H]1CC[C@H](C(=O)C(C#N)C(=O)N2CCCC2)CC1 ZINC000245536134 650819970 /nfs/dbraw/zinc/81/99/70/650819970.db2.gz IGSVIBYVVIMANM-KKUMJFAQSA-N 0 1 290.407 2.780 20 30 CFEDMN C=CC(C)(C)CCCNC(=O)[C@@](C)(N)c1ccccc1 ZINC000877303785 643226425 /nfs/dbraw/zinc/22/64/25/643226425.db2.gz MJMPJZBIGZQOIM-KRWDZBQOSA-N 0 1 274.408 2.969 20 30 CFEDMN C#CCCCCCCN[C@H](C(N)=O)c1ccc(F)cc1 ZINC000877379071 643252069 /nfs/dbraw/zinc/25/20/69/643252069.db2.gz COTMFLOGCZLBRI-HNNXBMFYSA-N 0 1 276.355 2.525 20 30 CFEDMN CCOC[C@@H](NCc1cc(C#N)cnc1Cl)C(C)C ZINC000877468762 643288501 /nfs/dbraw/zinc/28/85/01/643288501.db2.gz MEWUGBRUKHJYMY-CYBMUJFWSA-N 0 1 281.787 2.757 20 30 CFEDMN C[C@H](CCC#N)CN1CCC=C(Br)C1 ZINC000877500730 643309277 /nfs/dbraw/zinc/30/92/77/643309277.db2.gz IGTHGYDHXBLKLA-SNVBAGLBSA-N 0 1 257.175 2.911 20 30 CFEDMN C[C@@H](CCC#N)CN1CCc2c(nnn2-c2ccccc2)C1 ZINC000877548548 643350058 /nfs/dbraw/zinc/35/00/58/643350058.db2.gz LXGGGTDUGFHCIP-AWEZNQCLSA-N 0 1 295.390 2.565 20 30 CFEDMN CO[C@@H]([C@@H](C)NCc1cc(C#N)cnc1Cl)C1CC1 ZINC000877572545 643371760 /nfs/dbraw/zinc/37/17/60/643371760.db2.gz IMTQFDLMJTWMPR-RNCFNFMXSA-N 0 1 279.771 2.510 20 30 CFEDMN N#Cc1cnc(Cl)c(CNCCOCC2CCCC2)c1 ZINC000877577753 643375647 /nfs/dbraw/zinc/37/56/47/643375647.db2.gz IPAUUFGIYZXRJQ-UHFFFAOYSA-N 0 1 293.798 2.903 20 30 CFEDMN CC(C)(CNCc1cc(C#N)cnc1Cl)OCC1CC1 ZINC000877590451 643384245 /nfs/dbraw/zinc/38/42/45/643384245.db2.gz ZUBQOADTYDXHPA-UHFFFAOYSA-N 0 1 293.798 2.901 20 30 CFEDMN CO[C@@H](CNCc1cc(C#N)cnc1Cl)CC(C)C ZINC000877592978 643386898 /nfs/dbraw/zinc/38/68/98/643386898.db2.gz LPOJAIPGSVLLAH-CYBMUJFWSA-N 0 1 281.787 2.757 20 30 CFEDMN C[C@@H]1CCC[C@H](CNCc2cc(C#N)cnc2Cl)O1 ZINC000877630040 643413694 /nfs/dbraw/zinc/41/36/94/643413694.db2.gz DQHJNHHRAPCORM-ZWNOBZJWSA-N 0 1 279.771 2.654 20 30 CFEDMN CC1(C)CO[C@@H](CNCc2cc(C#N)cnc2Cl)C1 ZINC000877806015 643568309 /nfs/dbraw/zinc/56/83/09/643568309.db2.gz SENCEEWJFPFWCJ-GFCCVEGCSA-N 0 1 279.771 2.511 20 30 CFEDMN Cc1csc([C@H]2CCN(Cc3ccc(C#N)o3)C2)n1 ZINC000877813298 643577997 /nfs/dbraw/zinc/57/79/97/643577997.db2.gz KNXRLHIBZLRRLO-NSHDSACASA-N 0 1 273.361 2.906 20 30 CFEDMN C=CC[C@@H](C)N1CCN(C(=O)c2ccc(F)cc2)CC1 ZINC000877900324 643630651 /nfs/dbraw/zinc/63/06/51/643630651.db2.gz RMWPMKGWYYTIDY-CYBMUJFWSA-N 0 1 276.355 2.548 20 30 CFEDMN C=CC[C@H](C)N1CCN(C(=O)c2cc(C)oc2C)CC1 ZINC000877994067 643684795 /nfs/dbraw/zinc/68/47/95/643684795.db2.gz MKJZCXRHQUSSFI-LBPRGKRZSA-N 0 1 276.380 2.619 20 30 CFEDMN C=CC[C@H](C)N(C)Cc1nccn1CC(F)(F)F ZINC000878049121 643713266 /nfs/dbraw/zinc/71/32/66/643713266.db2.gz ZQUVDGKDSZPBIL-JTQLQIEISA-N 0 1 261.291 2.842 20 30 CFEDMN C#CCCCCCN1Cc2ccc(C(=O)OC)cc2C1 ZINC000878081727 643724466 /nfs/dbraw/zinc/72/44/66/643724466.db2.gz HOXLEFLXNRUSRR-UHFFFAOYSA-N 0 1 271.360 2.982 20 30 CFEDMN CC(C)CN(CCC#N)C[C@H]1CC2(CCC2)CO1 ZINC000878120798 643747250 /nfs/dbraw/zinc/74/72/50/643747250.db2.gz BPSFSVKIQOJJOC-CQSZACIVSA-N 0 1 250.386 2.817 20 30 CFEDMN C#CCCCCCN1CCN([C@H](C)C(F)(F)F)CC1 ZINC000878168062 643775605 /nfs/dbraw/zinc/77/56/05/643775605.db2.gz OLKOVTYTOBWGKV-CYBMUJFWSA-N 0 1 276.346 2.748 20 30 CFEDMN C#CCCCCCN1CCN(c2ncccc2F)CC1 ZINC000878322885 643839286 /nfs/dbraw/zinc/83/92/86/643839286.db2.gz QQXCBBYWJNDBQX-UHFFFAOYSA-N 0 1 275.371 2.536 20 30 CFEDMN C=CC[C@@H](C)N1CCN([C@@H](C)c2nccs2)CC1 ZINC000878436670 643894186 /nfs/dbraw/zinc/89/41/86/643894186.db2.gz DCVYJJNMYVHGJL-OLZOCXBDSA-N 0 1 265.426 2.786 20 30 CFEDMN C#C[C@@H](NCc1cnc(OC)c2ccccc12)[C@@H]1CCCO1 ZINC000878453695 643901596 /nfs/dbraw/zinc/90/15/96/643901596.db2.gz MSETUUJZTCQFIH-SJORKVTESA-N 0 1 296.370 2.514 20 30 CFEDMN C#CCN(Cc1ccccc1)C[C@H]1CC2(CO1)CCOCC2 ZINC000878612956 643957639 /nfs/dbraw/zinc/95/76/39/643957639.db2.gz CYHBPABXIJXZKO-GOSISDBHSA-N 0 1 299.414 2.708 20 30 CFEDMN C#CC[C@@H]1CCCN(Cc2nc3c(o2)CCCC3)C1 ZINC000878759972 644017326 /nfs/dbraw/zinc/01/73/26/644017326.db2.gz CSJLRIMAOWNKEY-CYBMUJFWSA-N 0 1 258.365 2.789 20 30 CFEDMN C=CC1CCN(C(=O)[C@@H]2c3cn[nH]c3CC[C@@H]2C)CC1 ZINC000878804610 644033585 /nfs/dbraw/zinc/03/35/85/644033585.db2.gz XFKMWBKOHUEEFV-NHYWBVRUSA-N 0 1 273.380 2.500 20 30 CFEDMN C=CC(C)(C)CC(=O)NCCN(C)Cc1ccc(F)cc1 ZINC000879085483 644137714 /nfs/dbraw/zinc/13/77/14/644137714.db2.gz DDFODJIPOJNLSM-UHFFFAOYSA-N 0 1 292.398 2.976 20 30 CFEDMN CC(=O)Nc1cccc2c1CN([C@@H]1CC[C@@H](C#N)C1)CC2 ZINC000879237697 644184205 /nfs/dbraw/zinc/18/42/05/644184205.db2.gz NTTKFWKZUFMNDF-UKRRQHHQSA-N 0 1 283.375 2.695 20 30 CFEDMN CC(=O)Nc1cccc2c1CN([C@H]1CC[C@@H](C#N)C1)CC2 ZINC000879237695 644184649 /nfs/dbraw/zinc/18/46/49/644184649.db2.gz NTTKFWKZUFMNDF-HIFRSBDPSA-N 0 1 283.375 2.695 20 30 CFEDMN N#Cc1ccc(C[N@@H+]2CCC[C@@H]2[C@@H](O)c2ccccc2)nc1 ZINC000879241620 644187734 /nfs/dbraw/zinc/18/77/34/644187734.db2.gz AMJFHNGUMWKNLH-MSOLQXFVSA-N 0 1 293.370 2.651 20 30 CFEDMN CO[C@@H]1CC[C@@H](C)N(Cc2cn3ccccc3c2C#N)C1 ZINC000879317755 644222421 /nfs/dbraw/zinc/22/24/21/644222421.db2.gz GZVFUMBPRYQLIN-UKRRQHHQSA-N 0 1 283.375 2.810 20 30 CFEDMN C=CC(C)(C)CC(=O)N1C[C@H](C)N(CC)C[C@H]1C ZINC000879346997 644239618 /nfs/dbraw/zinc/23/96/18/644239618.db2.gz NCBOCKYYZFNFQL-QWHCGFSZSA-N 0 1 252.402 2.530 20 30 CFEDMN CN(CCC#N)c1ccc(CN2CCOC(C)(C)C2)cc1 ZINC000091917791 650911257 /nfs/dbraw/zinc/91/12/57/650911257.db2.gz JWRBEFCQPJIFJP-UHFFFAOYSA-N 0 1 287.407 2.647 20 30 CFEDMN COc1cccc(CN2CCN([C@@H]3CC[C@@H](C#N)C3)CC2)c1 ZINC000879449929 644276395 /nfs/dbraw/zinc/27/63/95/644276395.db2.gz UNDMSLANHPBIJI-NVXWUHKLSA-N 0 1 299.418 2.505 20 30 CFEDMN N#Cc1cccc([N+](=O)[O-])c1CN1C[C@@H]2CC=CC[C@@H]2C1 ZINC000879530048 644308393 /nfs/dbraw/zinc/30/83/93/644308393.db2.gz KMHQJQNVUDRRET-OKILXGFUSA-N 0 1 283.331 2.864 20 30 CFEDMN CSCCCN1CCN(c2ccc(F)cc2C#N)CC1 ZINC000879588554 644341527 /nfs/dbraw/zinc/34/15/27/644341527.db2.gz HYHINBQLMRSWCO-UHFFFAOYSA-N 0 1 293.411 2.572 20 30 CFEDMN CC(C)(O)C1CCN(Cc2cn3ccccc3c2C#N)CC1 ZINC000879626579 644354413 /nfs/dbraw/zinc/35/44/13/644354413.db2.gz YOXDWDVQLHFATD-UHFFFAOYSA-N 0 1 297.402 2.794 20 30 CFEDMN CC#CCN[C@H](COC)c1cccc(Br)c1 ZINC000879662257 644370174 /nfs/dbraw/zinc/37/01/74/644370174.db2.gz VPIVLHLSJNHRHF-CYBMUJFWSA-N 0 1 282.181 2.750 20 30 CFEDMN C=CCN(CC=C)C(=O)CN[C@H](C)c1cc2cnccc2o1 ZINC000879711567 644393300 /nfs/dbraw/zinc/39/33/00/644393300.db2.gz HXKCRQYEHOEHLI-CYBMUJFWSA-N 0 1 299.374 2.679 20 30 CFEDMN CCC#C[C@@H](C)N(C)C[C@@H]1CN(c2ccccc2)C(=O)O1 ZINC000880079757 644524697 /nfs/dbraw/zinc/52/46/97/644524697.db2.gz JSYYOZWWFSWIAJ-GDBMZVCRSA-N 0 1 286.375 2.746 20 30 CFEDMN C#CCCN1CCc2cc(OC)c(OC)cc2[C@H]1C ZINC000880090089 644526840 /nfs/dbraw/zinc/52/68/40/644526840.db2.gz NPNHHPRVLFQJDY-GFCCVEGCSA-N 0 1 259.349 2.646 20 30 CFEDMN N#Cc1ccc(CN[C@@]2(c3ccccc3)C[C@@H](O)C2)cc1F ZINC000880222726 644587896 /nfs/dbraw/zinc/58/78/96/644587896.db2.gz DWDUKTPOASFBAN-MAEOIBBWSA-N 0 1 296.345 2.837 20 30 CFEDMN N#Cc1c(CN2CCC[C@H](CF)C2)cn2ccccc12 ZINC000880236237 644597335 /nfs/dbraw/zinc/59/73/35/644597335.db2.gz YHEGHMXGVVYCIM-CYBMUJFWSA-N 0 1 271.339 2.992 20 30 CFEDMN CC(=O)[C@](C#N)(CCN1CCC(F)CC1)c1ccccc1 ZINC000880239010 644601718 /nfs/dbraw/zinc/60/17/18/644601718.db2.gz QVVOJNYTGKUAJU-QGZVFWFLSA-N 0 1 288.366 2.861 20 30 CFEDMN CO[C@]1(C(F)(F)F)CCN(Cc2ccc(CC#N)cc2)C1 ZINC000880306520 644643909 /nfs/dbraw/zinc/64/39/09/644643909.db2.gz VBEYBGOXNSQBBH-CQSZACIVSA-N 0 1 298.308 2.906 20 30 CFEDMN C(#Cc1ccccc1)CN1CC[C@@H](c2nccs2)C1 ZINC000880320451 644654013 /nfs/dbraw/zinc/65/40/13/644654013.db2.gz HPQUXOUMHQMPLV-OAHLLOKOSA-N 0 1 268.385 2.984 20 30 CFEDMN CCc1ccc(NC(=O)C(C#N)C(=O)[C@H]2C[C@@H]2C)cc1 ZINC000128475693 644745916 /nfs/dbraw/zinc/74/59/16/644745916.db2.gz DNGDWEADAYRNGA-LEWSCRJBSA-N 0 1 270.332 2.552 20 30 CFEDMN C=CC(C)(C)CC(=O)N1C[C@@H](C)N(CC)[C@@H](C)C1 ZINC000880609721 644787275 /nfs/dbraw/zinc/78/72/75/644787275.db2.gz RVMOTIJOBGFPLJ-BETUJISGSA-N 0 1 252.402 2.530 20 30 CFEDMN CSc1ccc(OCCON=C(N)C(C)C)cc1 ZINC000128535101 644793747 /nfs/dbraw/zinc/79/37/47/644793747.db2.gz AXUODVNPYQNDKS-UHFFFAOYSA-N 0 1 268.382 2.732 20 30 CFEDMN Cc1ccc(NC[C@H](c2ccco2)N(C)C)c(C#N)n1 ZINC000881752723 645121298 /nfs/dbraw/zinc/12/12/98/645121298.db2.gz YLTYQRLEADLJCG-CQSZACIVSA-N 0 1 270.336 2.570 20 30 CFEDMN Cc1ccc(N[C@@H]2CN(C)Cc3ccccc32)c(C#N)n1 ZINC000882136951 645216570 /nfs/dbraw/zinc/21/65/70/645216570.db2.gz SMUMHZKMNZSQCO-QGZVFWFLSA-N 0 1 278.359 2.860 20 30 CFEDMN C=C[C@H](CC(=O)NC[C@H]1CCN1CC)c1ccccc1 ZINC000882488986 645341266 /nfs/dbraw/zinc/34/12/66/645341266.db2.gz KMAAWIBKVSTQFN-GDBMZVCRSA-N 0 1 272.392 2.557 20 30 CFEDMN C=C(Br)CN(C[C@H](C)O)C1CCCCC1 ZINC000303974041 651010756 /nfs/dbraw/zinc/01/07/56/651010756.db2.gz HMNGPKXLUAZKFF-NSHDSACASA-N 0 1 276.218 2.911 20 30 CFEDMN CC[C@@H](C#N)Oc1cccc(CNCc2ccncc2N)c1 ZINC000883000140 645555750 /nfs/dbraw/zinc/55/57/50/645555750.db2.gz OSHGKAXAGWJQJY-HNNXBMFYSA-N 0 1 296.374 2.635 20 30 CFEDMN C#Cc1ccc(CNCc2ccnn2CC2CC2)cc1 ZINC000883132476 645618716 /nfs/dbraw/zinc/61/87/16/645618716.db2.gz SCZMACRNOHUFIH-UHFFFAOYSA-N 0 1 265.360 2.564 20 30 CFEDMN C=CCC[C@H](CO)NCc1c(F)cccc1OCC ZINC000883138976 645622393 /nfs/dbraw/zinc/62/23/93/645622393.db2.gz WDSJVXVSJDAUGB-GFCCVEGCSA-N 0 1 267.344 2.641 20 30 CFEDMN C=CCC[C@H](CO)NCc1c(Cl)n(C)nc1C(C)C ZINC000883138438 645622423 /nfs/dbraw/zinc/62/24/23/645622423.db2.gz CVJLUWLGWBSBCB-LLVKDONJSA-N 0 1 285.819 2.614 20 30 CFEDMN C=CCC[C@H](NCc1nonc1C)[C@H]1Cc2ccccc2O1 ZINC000883244652 645692218 /nfs/dbraw/zinc/69/22/18/645692218.db2.gz SJHYTFDFFVWGDL-WMLDXEAASA-N 0 1 299.374 2.806 20 30 CFEDMN C=C(C)C[C@@H](CO)NCc1cc([N+](=O)[O-])ccc1Cl ZINC000883401036 645797572 /nfs/dbraw/zinc/79/75/72/645797572.db2.gz AMSWJYZEEDRUJC-NSHDSACASA-N 0 1 284.743 2.665 20 30 CFEDMN Cc1nc(C2CCN(c3ccnc(C#N)c3)CC2)[nH]c1C ZINC000884706921 646535052 /nfs/dbraw/zinc/53/50/52/646535052.db2.gz RYVGPBFPGQTJKF-UHFFFAOYSA-N 0 1 281.363 2.677 20 30 CFEDMN C#CCCCCCOC(=O)[C@@H]1c2cn[nH]c2CC[C@H]1C ZINC000885255633 646648888 /nfs/dbraw/zinc/64/88/88/646648888.db2.gz XKSQUAPZFWUBBQ-DOMZBBRYSA-N 0 1 274.364 2.812 20 30 CFEDMN C[C@H]1CCc2[nH]ncc2[C@H]1C(=O)OCCCC(C)(C)C#N ZINC000885259760 646651044 /nfs/dbraw/zinc/65/10/44/646651044.db2.gz NYQODJHEPOSMAQ-FZMZJTMJSA-N 0 1 289.379 2.949 20 30 CFEDMN C#CC[C@@H](NCc1[nH]nc(C)c1C)c1ccccc1 ZINC000886049923 646843242 /nfs/dbraw/zinc/84/32/42/646843242.db2.gz YFMMKPFOBVWGBT-OAHLLOKOSA-N 0 1 253.349 2.881 20 30 CFEDMN Cc1csc([C@@H](C)NC[C@@H](O)CC2(C#N)CCC2)n1 ZINC000886130111 646886540 /nfs/dbraw/zinc/88/65/40/646886540.db2.gz WEZQHMDFXCOCAN-NEPJUHHUSA-N 0 1 279.409 2.547 20 30 CFEDMN Cc1csc([C@@H](C)NC[C@H](O)CC2(C#N)CCC2)n1 ZINC000886130114 646886707 /nfs/dbraw/zinc/88/67/07/646886707.db2.gz WEZQHMDFXCOCAN-VXGBXAGGSA-N 0 1 279.409 2.547 20 30 CFEDMN C#CCOc1ccc(CNCc2cc(C)co2)cc1 ZINC000886134488 646888583 /nfs/dbraw/zinc/88/85/83/646888583.db2.gz UCHFPKBLYDRLRE-UHFFFAOYSA-N 0 1 255.317 2.890 20 30 CFEDMN Cc1cc(C)cc(N(CCC#N)C(=O)CN2C[C@@H]3C[C@@H]3C2)c1 ZINC000886326712 646971116 /nfs/dbraw/zinc/97/11/16/646971116.db2.gz QGRYAFOFXTVXEW-IYBDPMFKSA-N 0 1 297.402 2.502 20 30 CFEDMN Cc1ccc(N(CCC#N)C(=O)[C@H](C)N2C[C@@H]3C[C@@H]3C2)cc1 ZINC000886333208 646974834 /nfs/dbraw/zinc/97/48/34/646974834.db2.gz FESTZUCSOBOIIG-HRCADAONSA-N 0 1 297.402 2.582 20 30 CFEDMN C#CC[C@@H]1CC[N@H+]([C@@H](C)C(=O)Nc2cccc(C)c2)C1 ZINC000886353410 646983081 /nfs/dbraw/zinc/98/30/81/646983081.db2.gz IPJCEAFHKDZPBU-LSDHHAIUSA-N 0 1 270.376 2.667 20 30 CFEDMN C#CC[C@@H]1CC[N@H+](Cc2nc(-c3ccccc3C)no2)C1 ZINC000886354005 646983295 /nfs/dbraw/zinc/98/32/95/646983295.db2.gz UJGFQXWXDGDXFT-CQSZACIVSA-N 0 1 281.359 2.890 20 30 CFEDMN C#CC[C@@H]1CCN(Cc2nc(-c3ccccc3C)no2)C1 ZINC000886354005 646983299 /nfs/dbraw/zinc/98/32/99/646983299.db2.gz UJGFQXWXDGDXFT-CQSZACIVSA-N 0 1 281.359 2.890 20 30 CFEDMN C#CC[C@H]1CCN(Cc2nc(-c3cccc(C)c3)no2)C1 ZINC000886355870 646984334 /nfs/dbraw/zinc/98/43/34/646984334.db2.gz OVUCKEBBULNVAV-AWEZNQCLSA-N 0 1 281.359 2.890 20 30 CFEDMN C#CC[C@@H]1CCN(Cc2nc(C)c3ccccc3n2)C1 ZINC000886361310 646987547 /nfs/dbraw/zinc/98/75/47/646987547.db2.gz ATYJZNROHDIRNK-CQSZACIVSA-N 0 1 265.360 2.783 20 30 CFEDMN C#CC[C@@H]1CCN(Cc2cnc(OC)c(Cl)c2)C1 ZINC000886362643 646987653 /nfs/dbraw/zinc/98/76/53/646987653.db2.gz IBBFULOYIOQZIL-LLVKDONJSA-N 0 1 264.756 2.589 20 30 CFEDMN C#CC[C@H]1CCN([C@@H](C(=O)OCC)c2ccccc2)C1 ZINC000886363003 646987750 /nfs/dbraw/zinc/98/77/50/646987750.db2.gz XBGNAHKQCSNZFB-GOEBONIOSA-N 0 1 271.360 2.636 20 30 CFEDMN C#CC[C@@H]1CCN(Cc2cccc(Br)n2)C1 ZINC000886365920 646987872 /nfs/dbraw/zinc/98/78/72/646987872.db2.gz SJHRSEDGKCXCDH-LLVKDONJSA-N 0 1 279.181 2.689 20 30 CFEDMN C#CC[C@H]1CCN(Cc2cc(OC)c(F)cc2[N+](=O)[O-])C1 ZINC000886364058 646988833 /nfs/dbraw/zinc/98/88/33/646988833.db2.gz NKUOMTHMJCDWAS-NSHDSACASA-N 0 1 292.310 2.588 20 30 CFEDMN N#CCOc1ccc(CN[C@@H]2CCc3cccnc32)cc1 ZINC000886546005 647042386 /nfs/dbraw/zinc/04/23/86/647042386.db2.gz WTTWMYHHTHPAFY-MRXNPFEDSA-N 0 1 279.343 2.761 20 30 CFEDMN C#CCC1(NC(=O)[C@@H]2CCCc3[nH]ncc32)CCCCC1 ZINC000886654888 647091362 /nfs/dbraw/zinc/09/13/62/647091362.db2.gz SVOZSECPVGMUCU-CYBMUJFWSA-N 0 1 285.391 2.672 20 30 CFEDMN N#Cc1ccccc1CN1CCC[C@H](c2ncccn2)C1 ZINC000886673791 647104026 /nfs/dbraw/zinc/10/40/26/647104026.db2.gz AYQHVDWJSSEKKP-INIZCTEOSA-N 0 1 278.359 2.728 20 30 CFEDMN N#Cc1c(F)cccc1CN1CC[C@H]([C@@H]2CCCO2)C1 ZINC000886818466 647151481 /nfs/dbraw/zinc/15/14/81/647151481.db2.gz FVXOWXFBSHBCIE-BBRMVZONSA-N 0 1 274.339 2.698 20 30 CFEDMN C=C(C)CN(CC)C(=O)CN[C@@H]1CCc2c1cccc2F ZINC000886924221 647177483 /nfs/dbraw/zinc/17/74/83/647177483.db2.gz QKIAFTPSWZVOKJ-MRXNPFEDSA-N 0 1 290.382 2.827 20 30 CFEDMN C=CCCC[C@@H](C(=O)NCc1n[nH]c(C)n1)c1ccccc1 ZINC000889697210 647656472 /nfs/dbraw/zinc/65/64/72/647656472.db2.gz BFGSJIMNYKEXGM-OAHLLOKOSA-N 0 1 298.390 2.869 20 30 CFEDMN C[C@@H](N[C@@H](C)c1ccnnc1)c1ccc(C#N)cc1 ZINC000924784969 648046922 /nfs/dbraw/zinc/04/69/22/648046922.db2.gz KAGIAADVCNHBNY-NEPJUHHUSA-N 0 1 252.321 2.760 20 30 CFEDMN COc1ccnc([C@@H](C)NCc2ccc(OCC#N)cc2)c1 ZINC000925366488 648159478 /nfs/dbraw/zinc/15/94/78/648159478.db2.gz FXUIVFGYMBPTNE-CYBMUJFWSA-N 0 1 297.358 2.843 20 30 CFEDMN C[C@H](NCc1cc(C#N)ccc1F)C1(Cl)CC1 ZINC000925472233 648176897 /nfs/dbraw/zinc/17/68/97/648176897.db2.gz CJVHCCIXECILFO-VIFPVBQESA-N 0 1 252.720 2.947 20 30 CFEDMN CC[C@@H]([NH2+][C@@H](C)Cc1cc(C)[nH]n1)c1cccc(C#N)c1[O-] ZINC000925561182 648217616 /nfs/dbraw/zinc/21/76/16/648217616.db2.gz JFMPQUWOUXJBKF-MEDUHNTESA-N 0 1 298.390 2.967 20 30 CFEDMN CC[C@@H]([NH2+]C[C@H](C)CN(C)C)c1cccc(C#N)c1[O-] ZINC000926474030 648501064 /nfs/dbraw/zinc/50/10/64/648501064.db2.gz NISTZGHYCRKQMP-SWLSCSKDSA-N 0 1 275.396 2.502 20 30 CFEDMN C=CCC[C@@H](CO)N[C@H]1COCc2cccc(Cl)c21 ZINC000926546860 648527836 /nfs/dbraw/zinc/52/78/36/648527836.db2.gz XPVCPMFOOPBQFZ-JSGCOSHPSA-N 0 1 281.783 2.828 20 30 CFEDMN C[C@H](N1CCN(c2ccc(C#N)cc2)CC1)C1(Cl)CC1 ZINC000926808883 648624460 /nfs/dbraw/zinc/62/44/60/648624460.db2.gz TYVPKEPCVMJKKB-ZDUSSCGKSA-N 0 1 289.810 2.840 20 30 CFEDMN Cc1nc2c(o1)CCC[C@H]2N[C@@H]1Cc2ccc(C#N)cc2C1 ZINC000926812152 648625228 /nfs/dbraw/zinc/62/52/28/648625228.db2.gz KEBXASFTOLTAFK-HZPDHXFCSA-N 0 1 293.370 2.989 20 30 CFEDMN Cc1nc2c(o1)CCC[C@@H]2N[C@@H]1Cc2ccc(C#N)cc2C1 ZINC000926812149 648625606 /nfs/dbraw/zinc/62/56/06/648625606.db2.gz KEBXASFTOLTAFK-CVEARBPZSA-N 0 1 293.370 2.989 20 30 CFEDMN C=CC(C)(C)CCCN[C@H](C)c1cc(CO)on1 ZINC000926821503 648628370 /nfs/dbraw/zinc/62/83/70/648628370.db2.gz JGHVADZTODDYSM-LLVKDONJSA-N 0 1 252.358 2.810 20 30 CFEDMN CC1CCN(CC(=O)Nc2ccc(CCC#N)cc2)CC1 ZINC000928405037 648907844 /nfs/dbraw/zinc/90/78/44/648907844.db2.gz WEMSPDOKNUIEBP-UHFFFAOYSA-N 0 1 285.391 2.813 20 30 CFEDMN C#CCN1CCC(NC(=O)C[C@@H](C)C2CCCCC2)CC1 ZINC000928658640 648939727 /nfs/dbraw/zinc/93/97/27/648939727.db2.gz WPZKCINNWIIEHK-OAHLLOKOSA-N 0 1 290.451 2.807 20 30 CFEDMN C#CCN1CCC(NC(=O)c2ccc(C(C)C)cc2)CC1 ZINC000928661558 648939756 /nfs/dbraw/zinc/93/97/56/648939756.db2.gz YLEPOJAYJZARIC-UHFFFAOYSA-N 0 1 284.403 2.637 20 30 CFEDMN COc1ccc2cc(CN(C)C[C@H](O)CC#N)ccc2c1 ZINC000929180142 648996244 /nfs/dbraw/zinc/99/62/44/648996244.db2.gz MSHCRYNJPTWLQQ-MRXNPFEDSA-N 0 1 284.359 2.555 20 30 CFEDMN CC(C)[N@H+]1CCC[C@@H]1C(=O)Nc1ccc(CC#N)cc1 ZINC000929402329 649045287 /nfs/dbraw/zinc/04/52/87/649045287.db2.gz HREDONBIFWDDIO-OAHLLOKOSA-N 0 1 271.364 2.564 20 30 CFEDMN N#Cc1cc(Cl)cc(C[N@@H+]2CCCC[C@@H]2CCO)c1 ZINC000929519872 649065395 /nfs/dbraw/zinc/06/53/95/649065395.db2.gz NIYMSARYHQRPQK-OAHLLOKOSA-N 0 1 278.783 2.949 20 30 CFEDMN N#Cc1cc(Cl)cc(CN2CCCC[C@@H]2CCO)c1 ZINC000929519872 649065399 /nfs/dbraw/zinc/06/53/99/649065399.db2.gz NIYMSARYHQRPQK-OAHLLOKOSA-N 0 1 278.783 2.949 20 30 CFEDMN CCCO[C@@H]1CCCN(Cc2cncc(C#N)c2)CC1 ZINC000929604683 649077408 /nfs/dbraw/zinc/07/74/08/649077408.db2.gz MUPCCPWXTDPICA-MRXNPFEDSA-N 0 1 273.380 2.734 20 30 CFEDMN N#CC1(CCCCN2CCO[C@@H]([C@@H]3CCCO3)C2)CCC1 ZINC000929825924 649131647 /nfs/dbraw/zinc/13/16/47/649131647.db2.gz MTVQVIDJULYEEC-JKSUJKDBSA-N 0 1 292.423 2.730 20 30 CFEDMN N#Cc1cncc(CN2CCC[C@@H]2C[C@H](O)c2ccco2)c1 ZINC000929830157 649133926 /nfs/dbraw/zinc/13/39/26/649133926.db2.gz AUJOKTARJAWUKS-CVEARBPZSA-N 0 1 297.358 2.634 20 30 CFEDMN C#CC[C@@H](NCc1cc(C)nnc1C)c1ccccc1 ZINC000930222387 649209007 /nfs/dbraw/zinc/20/90/07/649209007.db2.gz XJNGKRBWQFIHPY-QGZVFWFLSA-N 0 1 265.360 2.948 20 30 CFEDMN C=C[C@@H]1OCC[C@H]1NCc1c(F)ccc(C)c1F ZINC000930640735 649293998 /nfs/dbraw/zinc/29/39/98/649293998.db2.gz WBYVEFYWPRWTKC-OLZOCXBDSA-N 0 1 253.292 2.706 20 30 CFEDMN N#Cc1cncc(CN2CCSC[C@@H]2C2CCC2)c1 ZINC000930744998 649319066 /nfs/dbraw/zinc/31/90/66/649319066.db2.gz RKVMFCAEVXLOLK-OAHLLOKOSA-N 0 1 273.405 2.671 20 30 CFEDMN C[C@H]1C[C@H](CO)CN(Cc2cc(Cl)cc(C#N)c2)C1 ZINC000930748834 649319329 /nfs/dbraw/zinc/31/93/29/649319329.db2.gz MDBQEYACDADUFL-FZMZJTMJSA-N 0 1 278.783 2.662 20 30 CFEDMN C[C@@H](c1ccc(F)nc1)N(C)C[C@H](O)c1cccc(C#N)c1 ZINC000930846333 649334843 /nfs/dbraw/zinc/33/48/43/649334843.db2.gz YYQBKLZVPFRLTO-LRDDRELGSA-N 0 1 299.349 2.819 20 30 CFEDMN C=CC[N@@H+](C[C@@H](O)c1cccc(C)c1)[C@@H](C)COC ZINC000930930431 649352384 /nfs/dbraw/zinc/35/23/84/649352384.db2.gz HRRCGKWOICTJCV-GOEBONIOSA-N 0 1 263.381 2.551 20 30 CFEDMN COC[C@H]1CCCN1Cc1cc(Cl)cc(C#N)c1 ZINC000931257772 649398314 /nfs/dbraw/zinc/39/83/14/649398314.db2.gz TWHSGTLZOXZEEO-CQSZACIVSA-N 0 1 264.756 2.822 20 30 CFEDMN N#Cc1cc(Cl)cc(CN2CCN(CCCF)CC2)c1 ZINC000931292879 649402730 /nfs/dbraw/zinc/40/27/30/649402730.db2.gz HPQDZCVXJKUKQV-UHFFFAOYSA-N 0 1 295.789 2.689 20 30 CFEDMN COC/C(C)=C\CN1CCc2c(CC#N)cccc2C1 ZINC000931332276 649410603 /nfs/dbraw/zinc/41/06/03/649410603.db2.gz BVOITRXNKUCPHF-AUWJEWJLSA-N 0 1 270.376 2.703 20 30 CFEDMN C=CCCCCN1CCN(Cc2cncs2)CC1 ZINC000931358430 649414565 /nfs/dbraw/zinc/41/45/65/649414565.db2.gz WDZMPCSUCJAMJH-UHFFFAOYSA-N 0 1 265.426 2.617 20 30 CFEDMN C[C@@H]1CC[C@H](CO)[N@H+]1Cc1cc(Cl)cc(C#N)c1 ZINC000931698309 649474305 /nfs/dbraw/zinc/47/43/05/649474305.db2.gz IBKGJROHJKUCLV-QMTHXVAHSA-N 0 1 264.756 2.557 20 30 CFEDMN C[C@@H]1CC[C@H](CO)N1Cc1cc(Cl)cc(C#N)c1 ZINC000931698309 649474308 /nfs/dbraw/zinc/47/43/08/649474308.db2.gz IBKGJROHJKUCLV-QMTHXVAHSA-N 0 1 264.756 2.557 20 30 CFEDMN C=C[C@@H](CC)CC(=O)Nc1nc(-c2ccco2)n[nH]1 ZINC000931796843 649490831 /nfs/dbraw/zinc/49/08/31/649490831.db2.gz NPLKDTUORAQSGY-VIFPVBQESA-N 0 1 260.297 2.606 20 30 CFEDMN Cc1nc([C@H]2CC[N@@H+](Cc3ccc(C#N)cc3C)C2)no1 ZINC000931936898 649516022 /nfs/dbraw/zinc/51/60/22/649516022.db2.gz HUYYQHPWVCOQRT-HNNXBMFYSA-N 0 1 282.347 2.548 20 30 CFEDMN Cn1ccc([C@H]2CCCN(Cc3cccc(C#N)c3F)C2)n1 ZINC000932132127 649545634 /nfs/dbraw/zinc/54/56/34/649545634.db2.gz DIDXUKFPDXWXRG-AWEZNQCLSA-N 0 1 298.365 2.810 20 30 CFEDMN Cn1ccc([C@@H]2CCCN(Cc3ccc(C#N)c(F)c3)C2)n1 ZINC000932135974 649547673 /nfs/dbraw/zinc/54/76/73/649547673.db2.gz JVFCWVQNZCIDLN-OAHLLOKOSA-N 0 1 298.365 2.810 20 30 CFEDMN C#CC[N@H+](Cc1cc([O-])ccc1[N+](=O)[O-])C(C)(C)C ZINC000932462231 649605591 /nfs/dbraw/zinc/60/55/91/649605591.db2.gz RVAFMJWUNQJKSB-UHFFFAOYSA-N 0 1 262.309 2.534 20 30 CFEDMN C#CC[N@@H+](Cc1cc([O-])ccc1[N+](=O)[O-])C(C)(C)C ZINC000932462231 649605594 /nfs/dbraw/zinc/60/55/94/649605594.db2.gz RVAFMJWUNQJKSB-UHFFFAOYSA-N 0 1 262.309 2.534 20 30 CFEDMN CC(C)(C)c1cc2n(n1)CCN(CCCCC#N)C2 ZINC000932612124 649628159 /nfs/dbraw/zinc/62/81/59/649628159.db2.gz BGAKDEFMGVEUQT-UHFFFAOYSA-N 0 1 260.385 2.690 20 30 CFEDMN CCO[C@H]1CCN(CC#Cc2cccc(Cl)c2)C1 ZINC000932973578 649665483 /nfs/dbraw/zinc/66/54/83/649665483.db2.gz UYXOBLQMCJGWKN-HNNXBMFYSA-N 0 1 263.768 2.802 20 30 CFEDMN C=C(C)[C@@H](CO)N[C@@H](C)c1cc(Cl)cc2c1OCC2 ZINC000933270553 649684129 /nfs/dbraw/zinc/68/41/29/649684129.db2.gz CYAUNAPYNBEWKE-IINYFYTJSA-N 0 1 281.783 2.863 20 30 CFEDMN C#CCC1(NCc2nc(C)c3ccccc3n2)CCC1 ZINC000933302596 649686009 /nfs/dbraw/zinc/68/60/09/649686009.db2.gz ZMIRTFCCSTVCNT-UHFFFAOYSA-N 0 1 265.360 2.974 20 30 CFEDMN CC[C@@H](C)NC(=O)CN1CCC(c2ccc(C#N)cc2)CC1 ZINC000933614159 649706504 /nfs/dbraw/zinc/70/65/04/649706504.db2.gz KBMCRHDKKHIPEM-CQSZACIVSA-N 0 1 299.418 2.652 20 30 CFEDMN C=CCN1CCC[C@@H](NC(=O)c2ccc(Cl)cc2)C1 ZINC000933636217 649708823 /nfs/dbraw/zinc/70/88/23/649708823.db2.gz GJMZZNJGBPIVNC-CQSZACIVSA-N 0 1 278.783 2.720 20 30 CFEDMN CC1CC(CN2CCO[C@@H](c3ccc(C#N)cc3)C2)C1 ZINC000933631566 649708918 /nfs/dbraw/zinc/70/89/18/649708918.db2.gz KLQRFLDKVMMYQC-PUJMQQBBSA-N 0 1 270.376 2.978 20 30 CFEDMN CC[C@@H]1C[C@H]1CN1CCO[C@H](c2ccc(C#N)cc2)C1 ZINC000933631662 649708975 /nfs/dbraw/zinc/70/89/75/649708975.db2.gz KMPUHWWGWBOAFJ-PVAVHDDUSA-N 0 1 270.376 2.978 20 30 CFEDMN CC(C)(C#N)CCCC[N@H+]1CCOC[C@H]1C[C@H]1CCCO1 ZINC000933682137 649713796 /nfs/dbraw/zinc/71/37/96/649713796.db2.gz URUCGDJWFWZLKR-HZPDHXFCSA-N 0 1 294.439 2.976 20 30 CFEDMN CN(Cc1cnc[nH]1)C(=O)Nc1ccc(C#N)cc1C1CC1 ZINC000933853284 649725676 /nfs/dbraw/zinc/72/56/76/649725676.db2.gz NPZLBKIUIPONMX-UHFFFAOYSA-N 0 1 295.346 2.823 20 30 CFEDMN C=CC[C@H]1CCN1[C@@H](C(=O)NC1CC1)c1ccccc1 ZINC000934464823 649788728 /nfs/dbraw/zinc/78/87/28/649788728.db2.gz AINVVWWHSWJROJ-JKSUJKDBSA-N 0 1 270.376 2.657 20 30 CFEDMN C=CC[C@@H]1CCN1[C@H](C)C(=O)Nc1ccc(OC)cc1 ZINC000934465994 649789301 /nfs/dbraw/zinc/78/93/01/649789301.db2.gz IQAVKOSVOXOCAY-TZMCWYRMSA-N 0 1 274.364 2.673 20 30 CFEDMN Cc1cc(C#N)ccc1CN1CCOC[C@]1(C)C1CC1 ZINC000934477848 649792819 /nfs/dbraw/zinc/79/28/19/649792819.db2.gz ICDUAUZOSDLHLG-QGZVFWFLSA-N 0 1 270.376 2.868 20 30 CFEDMN C=CCCCN(CC)[C@H](C)c1nc(COC)no1 ZINC000934644501 649810975 /nfs/dbraw/zinc/81/09/75/649810975.db2.gz CGXLGQBKVKGYNF-LLVKDONJSA-N 0 1 253.346 2.565 20 30 CFEDMN C=CCCCN(CC)[C@@H](C)c1nc(C(=O)OC)co1 ZINC000934647673 649811597 /nfs/dbraw/zinc/81/15/97/649811597.db2.gz RKYILIGOGFYICB-NSHDSACASA-N 0 1 266.341 2.810 20 30 CFEDMN C=CCCCN(CC)Cc1nccn1CC(F)F ZINC000934647298 649811701 /nfs/dbraw/zinc/81/17/01/649811701.db2.gz NCMKDKPRXWSNQB-UHFFFAOYSA-N 0 1 257.328 2.936 20 30 CFEDMN C=C(C)CN1CCC[C@H](NC(=O)[C@]2(C)CC=CCC2)C1 ZINC001007408843 651134349 /nfs/dbraw/zinc/13/43/49/651134349.db2.gz AXNSIQQGPMJBDR-DOTOQJQBSA-N 0 1 276.424 2.890 20 30 CFEDMN C=C(C)C[N@H+]1CCC[C@@H](NC(=O)c2ccc(F)c(F)c2)C1 ZINC001007497696 651135864 /nfs/dbraw/zinc/13/58/64/651135864.db2.gz FLMIOWWMIUEWSF-CYBMUJFWSA-N 0 1 294.345 2.735 20 30 CFEDMN C=C(C)CN1CCC[C@@H](NC(=O)c2ccc(F)c(F)c2)C1 ZINC001007497696 651135865 /nfs/dbraw/zinc/13/58/65/651135865.db2.gz FLMIOWWMIUEWSF-CYBMUJFWSA-N 0 1 294.345 2.735 20 30 CFEDMN C=CCN1CCC[C@H](NC(=O)C(C)(C)C2CCCC2)C1 ZINC001007515305 651136412 /nfs/dbraw/zinc/13/64/12/651136412.db2.gz UUSALFDTEYMQQN-HNNXBMFYSA-N 0 1 278.440 2.969 20 30 CFEDMN C=CCN1CCC[C@@H](NC(=O)c2cc(F)c(C)cc2F)C1 ZINC001007538649 651136681 /nfs/dbraw/zinc/13/66/81/651136681.db2.gz WEYOBMHADMFICP-GFCCVEGCSA-N 0 1 294.345 2.653 20 30 CFEDMN C=CCN1CCC[C@@H](NC(=O)C(C)(C)C2CCCC2)C1 ZINC001007515307 651136775 /nfs/dbraw/zinc/13/67/75/651136775.db2.gz UUSALFDTEYMQQN-OAHLLOKOSA-N 0 1 278.440 2.969 20 30 CFEDMN C=CCN1CCC[C@@H](NC(=O)[C@H]2CC[C@@H]3C[C@@H]3CC2)C1 ZINC001008030420 651141267 /nfs/dbraw/zinc/14/12/67/651141267.db2.gz JCROTHCSTWFVOB-QKPAOTATSA-N 0 1 276.424 2.579 20 30 CFEDMN C=CCN1CCC[C@H](NC(=O)[C@H]2CC[C@@H]3C[C@@H]3CC2)C1 ZINC001008030417 651141370 /nfs/dbraw/zinc/14/13/70/651141370.db2.gz JCROTHCSTWFVOB-FZKCQIBNSA-N 0 1 276.424 2.579 20 30 CFEDMN C=C(C)CN1CCC[C@H](NC(=O)C(C)(C)C2CCC2)C1 ZINC001008083082 651141747 /nfs/dbraw/zinc/14/17/47/651141747.db2.gz MSMFSLOZCPERLE-HNNXBMFYSA-N 0 1 278.440 2.969 20 30 CFEDMN C=CCN1CCC[C@@H](NC(=O)c2ccn(C(C)C)c2C)C1 ZINC001008269827 651145626 /nfs/dbraw/zinc/14/56/26/651145626.db2.gz PLNSSNANQPULDN-OAHLLOKOSA-N 0 1 289.423 2.758 20 30 CFEDMN C=CCN1CCC[C@H](NC(=O)C(C2CCC2)C2CCC2)C1 ZINC001008324746 651146323 /nfs/dbraw/zinc/14/63/23/651146323.db2.gz XQRXJLIZWOEOIL-INIZCTEOSA-N 0 1 290.451 2.969 20 30 CFEDMN C=CCN1CCC[C@@H](NC(=O)Cc2cccc(Cl)c2)C1 ZINC001008376998 651147260 /nfs/dbraw/zinc/14/72/60/651147260.db2.gz FZQPORSDPOQSBY-OAHLLOKOSA-N 0 1 292.810 2.649 20 30 CFEDMN C=CCN1CCC[C@H](NC(=O)c2cc(C)cc(F)c2)C1 ZINC001008625728 651151318 /nfs/dbraw/zinc/15/13/18/651151318.db2.gz BDNMVIFYQFYQKQ-HNNXBMFYSA-N 0 1 276.355 2.514 20 30 CFEDMN C=C(C)CN1CCC[C@H](NC(=O)c2csc(C)c2)C1 ZINC001008878775 651154336 /nfs/dbraw/zinc/15/43/36/651154336.db2.gz YTKWWWDMFGXQHM-AWEZNQCLSA-N 0 1 278.421 2.827 20 30 CFEDMN C=CCN1CCC[C@@H](NC(=O)C(C)(C)c2ccccc2)C1 ZINC001009442865 651161019 /nfs/dbraw/zinc/16/10/19/651161019.db2.gz CWYWNXIVYAVRFE-MRXNPFEDSA-N 0 1 286.419 2.731 20 30 CFEDMN C#CCCN1CC[C@@H](NC(=O)c2scc(C)c2Cl)C1 ZINC001014540342 651188281 /nfs/dbraw/zinc/18/82/81/651188281.db2.gz BANUAMRJNBREDM-LLVKDONJSA-N 0 1 296.823 2.537 20 30 CFEDMN C#CCCN1CC[C@@H](NC(=O)c2cc3ccccc3s2)C1 ZINC001015146605 651196111 /nfs/dbraw/zinc/19/61/11/651196111.db2.gz STQSRXABSCCZCY-CQSZACIVSA-N 0 1 298.411 2.729 20 30 CFEDMN C=C(C)CN1CC[C@@H](NC(=O)C2(c3ccccc3)CCC2)C1 ZINC001015176416 651197351 /nfs/dbraw/zinc/19/73/51/651197351.db2.gz XDOCTFAOVJNTQP-QGZVFWFLSA-N 0 1 298.430 2.875 20 30 CFEDMN C=C(C)CN1CC[C@@H](NC(=O)C2(C3CCC3)CCC2)C1 ZINC001015421202 651200573 /nfs/dbraw/zinc/20/05/73/651200573.db2.gz GQGDUURVKFXTKX-OAHLLOKOSA-N 0 1 276.424 2.723 20 30 CFEDMN C=C(C)CN1CC[C@H](NC(=O)c2ccc(C)c(F)c2F)C1 ZINC001015741366 651211172 /nfs/dbraw/zinc/21/11/72/651211172.db2.gz IXHIHRSVLJNYLN-LBPRGKRZSA-N 0 1 294.345 2.653 20 30 CFEDMN C=CCN1CC[C@H](NC(=O)[C@@H](C)c2ccc(Cl)s2)C1 ZINC001015962167 651218820 /nfs/dbraw/zinc/21/88/20/651218820.db2.gz FHIANKVABPHGQN-QWRGUYRKSA-N 0 1 298.839 2.882 20 30 CFEDMN C=C(C)CN1CC[C@@H](NC(=O)c2ccc3ccncc3c2)C1 ZINC001015949553 651218845 /nfs/dbraw/zinc/21/88/45/651218845.db2.gz UPAFPQALFHXTQE-QGZVFWFLSA-N 0 1 295.386 2.615 20 30 CFEDMN C=C(C)CN1CC[C@@H](NC(=O)c2cc(CC)c(CC)o2)C1 ZINC001016000681 651220068 /nfs/dbraw/zinc/22/00/68/651220068.db2.gz DGEGTTQWXSMFOO-CQSZACIVSA-N 0 1 290.407 2.785 20 30 CFEDMN C=C(C)CN1CC[C@@H](NC(=O)c2ccc(F)cc2C)C1 ZINC001016047368 651222086 /nfs/dbraw/zinc/22/20/86/651222086.db2.gz VNXJYHANVYNSIK-CQSZACIVSA-N 0 1 276.355 2.514 20 30 CFEDMN C=C(C)CN1CC[C@@H](NC(=O)c2ccccc2Cl)C1 ZINC001016066160 651222851 /nfs/dbraw/zinc/22/28/51/651222851.db2.gz LRYKWYRSCRGAHN-GFCCVEGCSA-N 0 1 278.783 2.720 20 30 CFEDMN C=CCN1CC[C@@H](NC(=O)c2ccc(Cl)cc2Cl)C1 ZINC001016075653 651223298 /nfs/dbraw/zinc/22/32/98/651223298.db2.gz UUIBITBNUZFLNO-LLVKDONJSA-N 0 1 299.201 2.984 20 30 CFEDMN C=CCN1CC[C@@H](NC(=O)Cc2ccc3ccccc3c2)C1 ZINC001016209979 651228231 /nfs/dbraw/zinc/22/82/31/651228231.db2.gz VXQGOWLEGHMEBD-GOSISDBHSA-N 0 1 294.398 2.759 20 30 CFEDMN C=CCN1CC[C@@H](NC(=O)[C@@H](C)c2cccc(Cl)c2)C1 ZINC001016309421 651229940 /nfs/dbraw/zinc/22/99/40/651229940.db2.gz VARAEGFNVYTTLS-SWLSCSKDSA-N 0 1 292.810 2.820 20 30 CFEDMN C=C(C)CCN1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H](CC)SC ZINC001017480085 651252713 /nfs/dbraw/zinc/25/27/13/651252713.db2.gz KKLUPMJKXDXENV-QLFBSQMISA-N 0 1 296.480 2.769 20 30 CFEDMN C=CCCN1C[C@H]2CC[C@@H](C1)N2C(=O)[C@]1(C)CC=CCC1 ZINC001017581267 651254580 /nfs/dbraw/zinc/25/45/80/651254580.db2.gz OVSJPUDXSXMQGY-SOLBZPMBSA-N 0 1 288.435 2.984 20 30 CFEDMN CC(C)(C)CC(=O)N1CC[C@H](NCc2ccccc2C#N)C1 ZINC001018508047 651272737 /nfs/dbraw/zinc/27/27/37/651272737.db2.gz XKHDTUIVNZFOGB-INIZCTEOSA-N 0 1 299.418 2.685 20 30 CFEDMN C=C(Cl)CN[C@H]1CCN(C(=O)C2(C)CCCC2)C1 ZINC001019206566 651280893 /nfs/dbraw/zinc/28/08/93/651280893.db2.gz WGULWXSXIGFZKV-LBPRGKRZSA-N 0 1 270.804 2.510 20 30 CFEDMN C=C(Cl)CN[C@H]1CCN(C(=O)[C@@H]2C[C@H]2CC(C)C)C1 ZINC001019407441 651284037 /nfs/dbraw/zinc/28/40/37/651284037.db2.gz AROGZPVNYLBDMB-HZSPNIEDSA-N 0 1 284.831 2.612 20 30 CFEDMN C=C(Cl)CN[C@H]1CCN(C(=O)[C@@H](F)c2ccccc2)C1 ZINC001019440865 651285222 /nfs/dbraw/zinc/28/52/22/651285222.db2.gz WFQWWZMAECHHIQ-KBPBESRZSA-N 0 1 296.773 2.640 20 30 CFEDMN C=CCNC(=O)C(C#N)C(=O)C[C@@H](CC)CCCC ZINC000117532337 651286445 /nfs/dbraw/zinc/28/64/45/651286445.db2.gz WMZRYCNVFYYRID-QWHCGFSZSA-N 0 1 264.369 2.604 20 30 CFEDMN C=C(Cl)CN[C@H]1CCN(C(=O)[C@@H]2CC23CCCC3)C1 ZINC001019605846 651287746 /nfs/dbraw/zinc/28/77/46/651287746.db2.gz URKROEYQXTTXCL-STQMWFEESA-N 0 1 282.815 2.510 20 30 CFEDMN C=C(Cl)CN[C@H]1CCN(C(=O)C2(CC)CCCC2)C1 ZINC001019587637 651287938 /nfs/dbraw/zinc/28/79/38/651287938.db2.gz YOEXEBGBXWNMGB-ZDUSSCGKSA-N 0 1 284.831 2.900 20 30 CFEDMN CCCCCCC(=O)C(C#N)C(=O)NC1CCCC1 ZINC000119826439 651300828 /nfs/dbraw/zinc/30/08/28/651300828.db2.gz LCCQFFYUQBBDEI-CYBMUJFWSA-N 0 1 264.369 2.724 20 30 CFEDMN C[C@H]1CN(c2nc(Cl)c(Cl)cc2C#N)[C@@H](C)CN1C ZINC001164642444 719200582 /nfs/dbraw/zinc/20/05/82/719200582.db2.gz YOBMKNOCSAACOL-IUCAKERBSA-N 0 1 299.205 2.789 20 30 CFEDMN C=CCCN1CC[C@@H]1CN(C)C(=O)c1c(F)cccc1F ZINC001085944088 782209598 /nfs/dbraw/zinc/20/95/98/782209598.db2.gz ZDAWGBQBNGYYMW-GFCCVEGCSA-N 0 1 294.345 2.687 20 30 CFEDMN C#CCCN1CC[C@H]1CN(C)C(=O)c1ccccc1Cl ZINC001085939073 782209794 /nfs/dbraw/zinc/20/97/94/782209794.db2.gz XHMIDQOOSBIECZ-ZDUSSCGKSA-N 0 1 290.794 2.510 20 30 CFEDMN C#CCCN1CC[C@H]1CN(C)C(=O)c1ccc(C(C)C)cc1 ZINC001085942969 782212067 /nfs/dbraw/zinc/21/20/67/782212067.db2.gz VVBSDSNZABWSRG-SFHVURJKSA-N 0 1 298.430 2.980 20 30 CFEDMN C=CCCN1CC[C@H]1CN(C)C(=O)c1ccc(C(F)F)o1 ZINC001085949347 782214173 /nfs/dbraw/zinc/21/41/73/782214173.db2.gz BWOGNMIVGYYGIV-NSHDSACASA-N 0 1 298.333 2.940 20 30 CFEDMN COc1ncc(-c2ccc(Cl)c(O)c2)cc1C#N ZINC001243578776 782287479 /nfs/dbraw/zinc/28/74/79/782287479.db2.gz QSFHKQZDPCCAJF-UHFFFAOYSA-N 0 1 260.680 2.988 20 30 CFEDMN C#CCN(C)CCNC(=O)[C@@H](CCC)CC1CCCC1 ZINC001266332559 769973616 /nfs/dbraw/zinc/97/36/16/769973616.db2.gz RJGCQMCZCCWRHK-INIZCTEOSA-N 0 1 278.440 2.664 20 30 CFEDMN C=CC[N@@H+](C)Cc1cc(Br)c(OC)cc1[O-] ZINC001233140689 777806476 /nfs/dbraw/zinc/80/64/76/777806476.db2.gz RBEQFUFPBYDNPO-UHFFFAOYSA-N 0 1 286.169 2.781 20 30 CFEDMN C=CC[N@H+](C)Cc1cc(Br)c(OC)cc1[O-] ZINC001233140689 777806489 /nfs/dbraw/zinc/80/64/89/777806489.db2.gz RBEQFUFPBYDNPO-UHFFFAOYSA-N 0 1 286.169 2.781 20 30 CFEDMN C=C(C)C(C)(C)C(=O)NCC1(NCC(=C)Cl)CCC1 ZINC001273134757 780817280 /nfs/dbraw/zinc/81/72/80/780817280.db2.gz XHKTWQJLBWIZKC-UHFFFAOYSA-N 0 1 284.831 2.970 20 30 CFEDMN C=CCN1CC[C@H](N(CC)C(=O)c2cc3ncccc3o2)C1 ZINC001033902753 780820908 /nfs/dbraw/zinc/82/09/08/780820908.db2.gz PORWAUSWYDPPGX-ZDUSSCGKSA-N 0 1 299.374 2.550 20 30 CFEDMN C=CCN1CC[C@@H](N(CC)C(=O)c2ccoc2CCC)C1 ZINC001034019211 780854943 /nfs/dbraw/zinc/85/49/43/780854943.db2.gz NOGPLCOWSKIMJW-CQSZACIVSA-N 0 1 290.407 2.955 20 30 CFEDMN C=CCN1CC[C@@H](N(CC)C(=O)c2cccc3c2CCC3)C1 ZINC001034050469 780868316 /nfs/dbraw/zinc/86/83/16/780868316.db2.gz ABJNDYHDTXGNQG-MRXNPFEDSA-N 0 1 298.430 2.898 20 30 CFEDMN C=C(C)CN(CC)c1nc(C)cc(N2CCCC2)n1 ZINC001167049692 769844547 /nfs/dbraw/zinc/84/45/47/769844547.db2.gz REJAGHQDWPTJDL-UHFFFAOYSA-N 0 1 260.385 2.788 20 30 CFEDMN C=C(C)CN1CC[C@@H]1CNC(=O)[C@H]1CCCC(C)(C)C1 ZINC001039054738 769962985 /nfs/dbraw/zinc/96/29/85/769962985.db2.gz WELMKHZQHKMYMD-LSDHHAIUSA-N 0 1 278.440 2.969 20 30 CFEDMN C=CCCCN1CCC12CN(C(=O)OC(C)(C)C)C2 ZINC001209156652 770005356 /nfs/dbraw/zinc/00/53/56/770005356.db2.gz GKQGJVIHZGFEJK-UHFFFAOYSA-N 0 1 266.385 2.648 20 30 CFEDMN C=CCCCCCCCN1CCC(=O)[C@@H](C(=O)OCC)C1 ZINC001209438615 770089631 /nfs/dbraw/zinc/08/96/31/770089631.db2.gz PRICCJGRIOTSRU-HNNXBMFYSA-N 0 1 295.423 2.967 20 30 CFEDMN C=CCCCCCCCN1CC(N2CC(F)C2)C1 ZINC001209438731 770089792 /nfs/dbraw/zinc/08/97/92/770089792.db2.gz UCJLZZINATXLRP-UHFFFAOYSA-N 0 1 254.393 2.851 20 30 CFEDMN C=CCCCCCCCCN1CCN(C)[C@@H](C(=O)OC)C1 ZINC001209446342 770096381 /nfs/dbraw/zinc/09/63/81/770096381.db2.gz XESZKUFFBCWWAK-MRXNPFEDSA-N 0 1 296.455 2.692 20 30 CFEDMN C#CCN1CCC[C@H]1CNC(=O)CCCc1ccc(C)cc1 ZINC001266479900 770198824 /nfs/dbraw/zinc/19/88/24/770198824.db2.gz FRHKXAYRNSSYNL-SFHVURJKSA-N 0 1 298.430 2.532 20 30 CFEDMN C=CCCN1C[C@H]2CC[C@@H](C1)N2C(=O)C1(CCC)CC1 ZINC001266493660 770205587 /nfs/dbraw/zinc/20/55/87/770205587.db2.gz AWGQBRDSWHXIQC-GASCZTMLSA-N 0 1 276.424 2.818 20 30 CFEDMN C#CCN1CCC[C@H]1CNC(=O)C/C=C/c1ccc(C)cc1 ZINC001266497174 770210290 /nfs/dbraw/zinc/21/02/90/770210290.db2.gz BTFIKIBRLQVMHG-JXTAAOLFSA-N 0 1 296.414 2.612 20 30 CFEDMN C[C@H]1CC(=O)C=C(Nc2ccnn2-c2ccncc2)C1 ZINC001210771616 770363273 /nfs/dbraw/zinc/36/32/73/770363273.db2.gz PBGASLQRKDCDMA-LLVKDONJSA-N 0 1 268.320 2.562 20 30 CFEDMN C#CCN(CCNC(=O)c1ccccc1C(C)C)C1CC1 ZINC001266594998 770398343 /nfs/dbraw/zinc/39/83/43/770398343.db2.gz WTYQAOAOEGOMAT-UHFFFAOYSA-N 0 1 284.403 2.637 20 30 CFEDMN CC#CCN(CCNC(=O)c1ccc(CCC)cc1)C1CC1 ZINC001266607317 770416634 /nfs/dbraw/zinc/41/66/34/770416634.db2.gz VKUKMDLXXWFRSC-UHFFFAOYSA-N 0 1 298.430 2.857 20 30 CFEDMN C=CC[N@@H+](CCNC(=O)c1ccc2cc[nH]c2c1)C1CC1 ZINC001266611369 770426205 /nfs/dbraw/zinc/42/62/05/770426205.db2.gz HGDOOFXWPGISNX-UHFFFAOYSA-N 0 1 283.375 2.548 20 30 CFEDMN Cn1cncc1Nc1cccnc1C#C[Si](C)(C)C ZINC001211245976 770463957 /nfs/dbraw/zinc/46/39/57/770463957.db2.gz WPAZCLQCALCQDB-UHFFFAOYSA-N 0 1 270.412 2.788 20 30 CFEDMN Cn1cncc1Nc1ccc2nc(C#N)sc2c1 ZINC001211249853 770466711 /nfs/dbraw/zinc/46/67/11/770466711.db2.gz FNZJRFQCGZSPJV-UHFFFAOYSA-N 0 1 255.306 2.645 20 30 CFEDMN C=CCN1CC[C@H]2CC[C@@H](C1)N2C(=O)c1cc(C)oc1C ZINC001039339839 770508990 /nfs/dbraw/zinc/50/89/90/770508990.db2.gz IFMBCGMTWDTQCG-CABCVRRESA-N 0 1 288.391 2.761 20 30 CFEDMN CCCCCCCCCN1CCNC(=O)[C@H]1CC ZINC001167468365 770580611 /nfs/dbraw/zinc/58/06/11/770580611.db2.gz QUQNHVCTNYKKDK-CQSZACIVSA-N 0 1 254.418 2.947 20 30 CFEDMN CC(C(=O)NCCNCC#Cc1ccccc1)=C1CCCC1 ZINC001125524164 770605013 /nfs/dbraw/zinc/60/50/13/770605013.db2.gz XALILGOQYWUCCW-UHFFFAOYSA-N 0 1 296.414 2.634 20 30 CFEDMN C=C(C)CCC(=O)NC[C@@H](C)NCc1cccc(F)c1F ZINC001266943526 770759300 /nfs/dbraw/zinc/75/93/00/770759300.db2.gz QMBRIHDFRREZJN-GFCCVEGCSA-N 0 1 296.361 2.915 20 30 CFEDMN CC[C@H](C)CC(=O)N1CC[C@@H](NCC#Cc2ccccc2)C1 ZINC001267008805 770802974 /nfs/dbraw/zinc/80/29/74/770802974.db2.gz FMVYJXFVZIYVSK-FUHWJXTLSA-N 0 1 298.430 2.665 20 30 CFEDMN CCCCCCCNC(=O)c1coc([C@@H]2CCCN2)n1 ZINC000102451691 770833916 /nfs/dbraw/zinc/83/39/16/770833916.db2.gz SXUPGPVRKSMEBA-LBPRGKRZSA-N 0 1 279.384 2.799 20 30 CFEDMN Cc1nc2cncc(NCc3ccccc3C#N)c2[nH]1 ZINC001167634175 773203201 /nfs/dbraw/zinc/20/32/01/773203201.db2.gz SGTNCLFOCDNNBJ-UHFFFAOYSA-N 0 1 263.304 2.750 20 30 CFEDMN Cc1cc(CNCc2ccc(OCC#N)cc2)sn1 ZINC000404332709 773220225 /nfs/dbraw/zinc/22/02/25/773220225.db2.gz QGZFDLDLTKHLBB-UHFFFAOYSA-N 0 1 273.361 2.644 20 30 CFEDMN CC#CCN(CC)CCNC(=O)C[C@@H](CC)C(C)(C)C ZINC001267254661 775106257 /nfs/dbraw/zinc/10/62/57/775106257.db2.gz YLDKAGAWWHWUNG-OAHLLOKOSA-N 0 1 280.456 2.910 20 30 CFEDMN C=CC[N@@H+](CC)CCNC(=O)c1cnc(C(C)(C)C)s1 ZINC001267256739 775110157 /nfs/dbraw/zinc/11/01/57/775110157.db2.gz FBRJBHMGZLPDSL-UHFFFAOYSA-N 0 1 295.452 2.678 20 30 CFEDMN C=CC[N@H+](CC(=O)[O-])Cc1cccc(C(F)F)c1 ZINC000156420245 775111321 /nfs/dbraw/zinc/11/13/21/775111321.db2.gz KRIXNDZPWLIJQO-UHFFFAOYSA-N 0 1 255.264 2.697 20 30 CFEDMN CC[C@H]1OC(C)=C(OCc2ccc(C#N)cc2OC)C1=O ZINC001224191067 775126089 /nfs/dbraw/zinc/12/60/89/775126089.db2.gz FFUSEQCTAAKWRD-CYBMUJFWSA-N 0 1 287.315 2.693 20 30 CFEDMN C=C(C)CN1CC[C@@H]1CNC(=O)[C@H](CC)CC(F)(F)F ZINC001276954773 775133816 /nfs/dbraw/zinc/13/38/16/775133816.db2.gz CLGWZNGVZGHKQF-VXGBXAGGSA-N 0 1 292.345 2.732 20 30 CFEDMN C#CCN(CCNC(=O)C1(C)CCCCCC1)C1CC1 ZINC001267327272 775208054 /nfs/dbraw/zinc/20/80/54/775208054.db2.gz HZAKWGBFBYOFRN-UHFFFAOYSA-N 0 1 276.424 2.561 20 30 CFEDMN C=C(C)CN1CC[C@@H]1CNC(=O)[C@H](C)c1cccc(F)c1 ZINC001276977090 775208338 /nfs/dbraw/zinc/20/83/38/775208338.db2.gz GQRFCUWFKKCUKY-CZUORRHYSA-N 0 1 290.382 2.696 20 30 CFEDMN C#CCCN1CC[C@H]1CNC(=O)C1(CC=C)CCCCC1 ZINC001276977642 775211876 /nfs/dbraw/zinc/21/18/76/775211876.db2.gz JCVGCQFHVLRGPA-INIZCTEOSA-N 0 1 288.435 2.727 20 30 CFEDMN CC#CCN(CCNC(=O)C(C)(C)CC(C)C)C1CC1 ZINC001267335873 775219420 /nfs/dbraw/zinc/21/94/20/775219420.db2.gz DQLHEEKNNMWAEE-UHFFFAOYSA-N 0 1 278.440 2.663 20 30 CFEDMN C#CCN(CCNC(=O)C1(CC)CCCCC1)C1CC1 ZINC001267337921 775223379 /nfs/dbraw/zinc/22/33/79/775223379.db2.gz MRBRHSGZMFPAOZ-UHFFFAOYSA-N 0 1 276.424 2.561 20 30 CFEDMN C=C1O[C@H](CC)C(=O)C1OCC1CCC(OC)CC1 ZINC001224847454 775288708 /nfs/dbraw/zinc/28/87/08/775288708.db2.gz UBRBCLGMYCHERL-WXRRBKDZSA-N 0 1 268.353 2.818 20 30 CFEDMN C=C(Cl)CNCCN(C)C(=O)c1ccc(C)c(F)c1 ZINC001267398441 775313768 /nfs/dbraw/zinc/31/37/68/775313768.db2.gz LWFXFUZYBRZBLA-UHFFFAOYSA-N 0 1 284.762 2.548 20 30 CFEDMN C=C[C@@H](CC)CC(=O)N1C[C@H]2CC[C@@H](C1)N2CC(=C)C ZINC001267424014 775321446 /nfs/dbraw/zinc/32/14/46/775321446.db2.gz ZVFJPNVHEVGXRB-HRCADAONSA-N 0 1 276.424 2.840 20 30 CFEDMN C=C(Cl)CNCCN(C)C(=O)[C@H]1CCC[C@@H]1CC ZINC001267425408 775322504 /nfs/dbraw/zinc/32/25/04/775322504.db2.gz WQSUEWFDEFLDPD-STQMWFEESA-N 0 1 272.820 2.613 20 30 CFEDMN C=C(Cl)CN(CCCNC(=O)CCC)C(C)C ZINC001267496779 775392634 /nfs/dbraw/zinc/39/26/34/775392634.db2.gz ADHVJTYJEWADBD-UHFFFAOYSA-N 0 1 260.809 2.756 20 30 CFEDMN C[C@H]1C[C@H]2CN(Cc3cc(F)c(C#N)c(F)c3)CC[C@H]2O1 ZINC001140751559 775402120 /nfs/dbraw/zinc/40/21/20/775402120.db2.gz BBUKQVVWDMUKJW-KNHMANMVSA-N 0 1 292.329 2.836 20 30 CFEDMN C#CCN[C@@H](CNC(=O)[C@H](C)CCC)c1ccccc1 ZINC001267517395 775410593 /nfs/dbraw/zinc/41/05/93/775410593.db2.gz PKIDWACFOITUQW-ZBFHGGJFSA-N 0 1 272.392 2.503 20 30 CFEDMN C#CC[N@@H+]1CCCC[C@@H]1CNC(=O)C1CCC(C)(C)CC1 ZINC001024820272 775428827 /nfs/dbraw/zinc/42/88/27/775428827.db2.gz XTKDOEMCJNGVJB-MRXNPFEDSA-N 0 1 290.451 2.807 20 30 CFEDMN C#CCN1CCCC[C@@H]1CNC(=O)C1CCC(C)(C)CC1 ZINC001024820272 775428833 /nfs/dbraw/zinc/42/88/33/775428833.db2.gz XTKDOEMCJNGVJB-MRXNPFEDSA-N 0 1 290.451 2.807 20 30 CFEDMN C[C@@H](c1ccccn1)[N@H+]1CC[C@@H](Oc2ncccc2C#N)C1 ZINC001225407025 775444614 /nfs/dbraw/zinc/44/46/14/775444614.db2.gz HZRJEUAGOKASTA-DZGCQCFKSA-N 0 1 294.358 2.563 20 30 CFEDMN C[C@@H](c1ccccn1)N1CC[C@@H](Oc2ncccc2C#N)C1 ZINC001225407025 775444623 /nfs/dbraw/zinc/44/46/23/775444623.db2.gz HZRJEUAGOKASTA-DZGCQCFKSA-N 0 1 294.358 2.563 20 30 CFEDMN CC#CCN1CC[C@H](N(CCC)C(=O)CCCC)C1 ZINC001267537384 775445171 /nfs/dbraw/zinc/44/51/71/775445171.db2.gz AHZDAJOITXEEEQ-HNNXBMFYSA-N 0 1 264.413 2.513 20 30 CFEDMN C=CCN1CC[C@H]2CCN(C(=O)c3occc3Cl)C[C@@H]21 ZINC001042221803 775498417 /nfs/dbraw/zinc/49/84/17/775498417.db2.gz MRGHOANERDGLFT-AAEUAGOBSA-N 0 1 294.782 2.655 20 30 CFEDMN C=C[C@@H](CCCCCC)Oc1nc(C(=O)OC)cc(=O)[nH]1 ZINC001225731305 775575688 /nfs/dbraw/zinc/57/56/88/775575688.db2.gz XVONYJCEDCLBJK-NSHDSACASA-N 0 1 294.351 2.873 20 30 CFEDMN C=C1O[C@H](C)C(=O)C1Oc1ccc(C(C)=O)cc1F ZINC001225873414 775618221 /nfs/dbraw/zinc/61/82/21/775618221.db2.gz QNNIYRKWRBILRZ-MRVPVSSYSA-N 0 1 264.252 2.626 20 30 CFEDMN C=C(Cl)CN1CCC[C@H]([C@@H](C)NC(=O)C2CC=CC2)C1 ZINC001025371912 775624944 /nfs/dbraw/zinc/62/49/44/775624944.db2.gz LISITBZZABFJOG-HIFRSBDPSA-N 0 1 296.842 2.922 20 30 CFEDMN C=C1O[C@H](C)C(=O)C1Oc1ccc(F)c(F)c1F ZINC001225951819 775646695 /nfs/dbraw/zinc/64/66/95/775646695.db2.gz SRRWJMLBJQBXDL-RXMQYKEDSA-N 0 1 258.195 2.702 20 30 CFEDMN CCC1=C(Oc2cc(C(C)=O)ccc2O)C(=O)[C@@H](C)O1 ZINC001225998851 775663333 /nfs/dbraw/zinc/66/33/33/775663333.db2.gz QGAMOPQTJBWVRV-SECBINFHSA-N 0 1 276.288 2.583 20 30 CFEDMN C/C=C(/C)C(=O)N[C@H]1CCCN(Cc2cccc(C#N)c2)C1 ZINC001267624177 775709652 /nfs/dbraw/zinc/70/96/52/775709652.db2.gz TTYXCJBSJUJVLW-YQMISUSPSA-N 0 1 297.402 2.605 20 30 CFEDMN C=C[C@]1(C)CC[C@H](Oc2nc(C)cc(=O)[nH]2)C(C)(C)O1 ZINC001226159591 775720114 /nfs/dbraw/zinc/72/01/14/775720114.db2.gz QZVVWOJJWRHSDL-XHDPSFHLSA-N 0 1 278.352 2.772 20 30 CFEDMN Cc1cc(=O)[nH]c(O[C@@H](C)c2ccccc2C#N)n1 ZINC001226157548 775721250 /nfs/dbraw/zinc/72/12/50/775721250.db2.gz AZFSEOCGUBUNDV-JTQLQIEISA-N 0 1 255.277 2.502 20 30 CFEDMN C=CCC[C@@H](C)N1CC(NC(=O)CC[C@@H](C)CC)C1 ZINC001267662919 775760696 /nfs/dbraw/zinc/76/06/96/775760696.db2.gz DRMXGWIQCFONAU-UONOGXRCSA-N 0 1 266.429 2.968 20 30 CFEDMN C=C[C@@H](C#CC(C)(C)C)Oc1n[nH]c2ncccc12 ZINC001226306670 775775640 /nfs/dbraw/zinc/77/56/40/775775640.db2.gz XELHOGQFXHGSIM-NSHDSACASA-N 0 1 255.321 2.941 20 30 CFEDMN CC(C)C#CC(=O)N1C[C@@H]2C[C@H]1CN2[C@@H](C)c1ccccc1 ZINC001267706287 775793117 /nfs/dbraw/zinc/79/31/17/775793117.db2.gz IQAPWYLVBLFLBR-SZMVWBNQSA-N 0 1 296.414 2.692 20 30 CFEDMN C#C[C@H]1CCC[C@@H]1Oc1[nH]c(=O)nc2nc(Cl)ccc21 ZINC001226556587 775872698 /nfs/dbraw/zinc/87/26/98/775872698.db2.gz PRLOVABOSDSGFX-WPRPVWTQSA-N 0 1 289.722 2.565 20 30 CFEDMN C=CCN1CC[C@@H](NC(=O)[C@@H](CCC)CC(C)C)C1 ZINC001267753902 775882360 /nfs/dbraw/zinc/88/23/60/775882360.db2.gz QZLULWUBWJPHAW-LSDHHAIUSA-N 0 1 266.429 2.825 20 30 CFEDMN C=CCN1CC[C@H](N(C)C(=O)[C@H](CC)CCCC)C1 ZINC001267756456 775885028 /nfs/dbraw/zinc/88/50/28/775885028.db2.gz FWHKJJUKIOPDFH-CABCVRRESA-N 0 1 266.429 2.922 20 30 CFEDMN C=C(C)C(=O)OC[C@H](C)Oc1nc2ccc(F)cc2[nH]1 ZINC001226701156 775927379 /nfs/dbraw/zinc/92/73/79/775927379.db2.gz LKSFVOLWAMQVKX-VIFPVBQESA-N 0 1 278.283 2.589 20 30 CFEDMN C=CC[N@@H+]1CC[C@H](N(CC)C(=O)[C@@H](CC)CC(F)F)C1 ZINC001267785562 775930454 /nfs/dbraw/zinc/93/04/54/775930454.db2.gz GDXZKNPRWPILGW-STQMWFEESA-N 0 1 288.382 2.777 20 30 CFEDMN C=CCN1CC[C@H](N(CC)C(=O)[C@@H](CC)CC(F)F)C1 ZINC001267785562 775930464 /nfs/dbraw/zinc/93/04/64/775930464.db2.gz GDXZKNPRWPILGW-STQMWFEESA-N 0 1 288.382 2.777 20 30 CFEDMN C=CCC[C@H](CC)Oc1nc2[nH]cnc2c(=S)[nH]1 ZINC001226785770 775964188 /nfs/dbraw/zinc/96/41/88/775964188.db2.gz OJXPIQOZLAACTH-QMMMGPOBSA-N 0 1 264.354 2.765 20 30 CFEDMN C=CC[C@H](Oc1nc2[nH]cnc2c(=S)[nH]1)C(C)C ZINC001226787396 775965838 /nfs/dbraw/zinc/96/58/38/775965838.db2.gz XSFQSOHUQXFADY-QMMMGPOBSA-N 0 1 264.354 2.621 20 30 CFEDMN C#C[C@H](CC(C)C)Oc1nc(=O)[nH]c(C)c1Br ZINC001226788309 775966091 /nfs/dbraw/zinc/96/60/91/775966091.db2.gz VUKJHPIAZFNSIC-SECBINFHSA-N 0 1 299.168 2.680 20 30 CFEDMN C=C1O[C@@H](C)C(=O)C1Oc1cc(C(=O)OC)ccc1Cl ZINC001227157910 776119035 /nfs/dbraw/zinc/11/90/35/776119035.db2.gz FBJOXPOBQJYQTB-ZETCQYMHSA-N 0 1 296.706 2.725 20 30 CFEDMN CCCCOC(=O)[C@H](C)Oc1nc2ccc(C#N)cc2[nH]1 ZINC001227216919 776141897 /nfs/dbraw/zinc/14/18/97/776141897.db2.gz YBVVPAOEFKPHPY-JTQLQIEISA-N 0 1 287.319 2.545 20 30 CFEDMN CCCOC[C@@H](C)Oc1nc2ccc(C#N)cc2[nH]1 ZINC001227216445 776142611 /nfs/dbraw/zinc/14/26/11/776142611.db2.gz SJRFQAWZGAWVHA-SNVBAGLBSA-N 0 1 259.309 2.628 20 30 CFEDMN C[C@@H](Oc1nc2ccc(C#N)cc2[nH]1)c1cccnc1 ZINC001227216950 776142757 /nfs/dbraw/zinc/14/27/57/776142757.db2.gz YKUAGQQVBMHDDY-SNVBAGLBSA-N 0 1 264.288 2.970 20 30 CFEDMN C=C1O[C@H](C)C(=O)C1Oc1cnc(Cl)c(Cl)c1 ZINC001227226871 776145198 /nfs/dbraw/zinc/14/51/98/776145198.db2.gz ZQXGDMGPLDLAHO-RXMQYKEDSA-N 0 1 274.103 2.987 20 30 CFEDMN C=C(C)C(=O)OC[C@H](C)Oc1nc2cccc(C)c2[nH]1 ZINC001227267577 776164950 /nfs/dbraw/zinc/16/49/50/776164950.db2.gz FNMASLPPHYODRB-NSHDSACASA-N 0 1 274.320 2.758 20 30 CFEDMN C=C1O[C@@H](CC)C(=O)C1Oc1ccc(Cl)nc1F ZINC001227284870 776168683 /nfs/dbraw/zinc/16/86/83/776168683.db2.gz JQDFMAZPLNIIRU-ZETCQYMHSA-N 0 1 271.675 2.862 20 30 CFEDMN Cc1ccc2nc(=O)[nH]c(O[C@@H]3CC[C@H](C#N)C3)c2c1 ZINC001227350707 776183573 /nfs/dbraw/zinc/18/35/73/776183573.db2.gz MZDQZQFDDPOWTH-WDEREUQCSA-N 0 1 269.304 2.715 20 30 CFEDMN C=C[C@@H](CCCCC)Oc1nc(=O)[nH]c2c1COC2 ZINC001227690828 776258886 /nfs/dbraw/zinc/25/88/86/776258886.db2.gz PMHHAWVYNIVPEO-JTQLQIEISA-N 0 1 264.325 2.726 20 30 CFEDMN C=C1O[C@@H](C)C(=O)C1Oc1cc(F)c(OC)c(F)c1 ZINC001227873692 776314158 /nfs/dbraw/zinc/31/41/58/776314158.db2.gz OJNURQVXZGDWCO-LURJTMIESA-N 0 1 270.231 2.572 20 30 CFEDMN C#CC[C@H](C)Oc1[nH]c(=O)nc2cc(Cl)ccc21 ZINC001227989634 776352318 /nfs/dbraw/zinc/35/23/18/776352318.db2.gz REUGANDQPJNINY-QMMMGPOBSA-N 0 1 262.696 2.779 20 30 CFEDMN N#Cc1ccc([O-])cc1O[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC001228004667 776357938 /nfs/dbraw/zinc/35/79/38/776357938.db2.gz DOJUUUFMTDJBMP-KRWDZBQOSA-N 0 1 294.354 2.917 20 30 CFEDMN N#Cc1ccc([O-])cc1O[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC001228004667 776357948 /nfs/dbraw/zinc/35/79/48/776357948.db2.gz DOJUUUFMTDJBMP-KRWDZBQOSA-N 0 1 294.354 2.917 20 30 CFEDMN C#CC[N@H+](C)[C@@H]1CCCN(C(=O)c2ccc(C3CC3)cc2)C1 ZINC001027691832 776410274 /nfs/dbraw/zinc/41/02/74/776410274.db2.gz VSLLOUNKDHOWCR-GOSISDBHSA-N 0 1 296.414 2.734 20 30 CFEDMN CC(C)(C)N1CC(Oc2cccc3ccc(C#N)nc32)C1 ZINC001228409719 776484510 /nfs/dbraw/zinc/48/45/10/776484510.db2.gz BNXCCMVQITWXJA-UHFFFAOYSA-N 0 1 281.359 2.968 20 30 CFEDMN CC#CCN1CCC[C@@H]1CNC(=O)c1csc(C)c1C ZINC001027906189 776503495 /nfs/dbraw/zinc/50/34/95/776503495.db2.gz KVKVIIAEVCBKGG-CQSZACIVSA-N 0 1 290.432 2.582 20 30 CFEDMN C#CCN1CCC[C@H]1CNC(=O)c1ccc(C2CCC2)cc1 ZINC001027918264 776510420 /nfs/dbraw/zinc/51/04/20/776510420.db2.gz LTHRKHZRWZXOFT-SFHVURJKSA-N 0 1 296.414 2.782 20 30 CFEDMN C=C1O[C@H](C)C(=O)C1Oc1cccnc1C(F)(F)F ZINC001228599073 776533859 /nfs/dbraw/zinc/53/38/59/776533859.db2.gz ZEULIAZUVWHKCD-ZCFIWIBFSA-N 0 1 273.210 2.699 20 30 CFEDMN C=C(Cl)CNC[C@H](C)N(C)C(=O)C[C@H]1CC=CCC1 ZINC001268079025 776544070 /nfs/dbraw/zinc/54/40/70/776544070.db2.gz NSAYQKITHPGNIU-KBPBESRZSA-N 0 1 284.831 2.922 20 30 CFEDMN C=CCN1CCC[C@H]1CNC(=O)c1ccc(Cl)cc1F ZINC001028010178 776554382 /nfs/dbraw/zinc/55/43/82/776554382.db2.gz SLOFIFHETXIFQO-LBPRGKRZSA-N 0 1 296.773 2.859 20 30 CFEDMN C=C(C)CN1CCC[C@H]1CNC(=O)c1cc2ncccc2o1 ZINC001028030693 776563725 /nfs/dbraw/zinc/56/37/25/776563725.db2.gz HHGHWXJKHVSLOK-ZDUSSCGKSA-N 0 1 299.374 2.598 20 30 CFEDMN C=CC[N@H+]1CCC[C@@H]1CNC(=O)[C@H]1CC[C@@H]2C[C@@H]2CC1 ZINC001028043578 776569164 /nfs/dbraw/zinc/56/91/64/776569164.db2.gz RYSKLGXXRYNVTF-QKPAOTATSA-N 0 1 276.424 2.579 20 30 CFEDMN CC(C)c1nc2c(ncnc2N[C@H]2CC[C@H](C#N)CC2)[nH]1 ZINC001167842700 776614397 /nfs/dbraw/zinc/61/43/97/776614397.db2.gz PGURPMAXBPXYAP-XYPYZODXSA-N 0 1 284.367 2.971 20 30 CFEDMN C=CCN1CCC[C@H]1CNC(=O)c1ccoc1C1CC1 ZINC001028096720 776615735 /nfs/dbraw/zinc/61/57/35/776615735.db2.gz GOZBCZMYANPVFX-ZDUSSCGKSA-N 0 1 274.364 2.537 20 30 CFEDMN Cc1nc2ccc(N[C@H]3CC[C@H](C#N)CC3)nc2[nH]1 ZINC001167845855 776626367 /nfs/dbraw/zinc/62/63/67/776626367.db2.gz ZBDZFWBODXQITN-XYPYZODXSA-N 0 1 255.325 2.761 20 30 CFEDMN CC#CCN1CCC[C@@H]1CNC(=O)c1ccc(CCC)cc1 ZINC001028107409 776627907 /nfs/dbraw/zinc/62/79/07/776627907.db2.gz QCHSJUCEDSHYRJ-GOSISDBHSA-N 0 1 298.430 2.857 20 30 CFEDMN C=CCCC[N@@H+]1CCC[C@H](NC(=O)c2ccccc2O)C1 ZINC001268158261 776660402 /nfs/dbraw/zinc/66/04/02/776660402.db2.gz MGFQJJJDHFOFJP-AWEZNQCLSA-N 0 1 288.391 2.553 20 30 CFEDMN C=CCCCC(=O)NC1CCN(C[C@@H](F)CC)CC1 ZINC001228927975 776660775 /nfs/dbraw/zinc/66/07/75/776660775.db2.gz QHJBIFHGIGSIHK-ZDUSSCGKSA-N 0 1 270.392 2.671 20 30 CFEDMN C=C[C@@H](CC(=O)OC(C)(C)C)Oc1nnc2c[nH]ccc1-2 ZINC001228989307 776680360 /nfs/dbraw/zinc/68/03/60/776680360.db2.gz GCVXVPLXLYUPGB-JTQLQIEISA-N 0 1 289.335 2.623 20 30 CFEDMN C=C[C@@](C)(CC)C(=O)NC1CCN(C/C=C\Cl)CC1 ZINC001229017487 776690632 /nfs/dbraw/zinc/69/06/32/776690632.db2.gz TYONNRFGCOOANA-AJHXJQRKSA-N 0 1 284.831 2.922 20 30 CFEDMN C#CCN(C)CCN(C)C(=O)c1cc2sccc2s1 ZINC001268240180 776717482 /nfs/dbraw/zinc/71/74/82/776717482.db2.gz ICHFFJKSYPWFBR-UHFFFAOYSA-N 0 1 292.429 2.600 20 30 CFEDMN C=C(C)[C@H]1CC=C(C)[C@H](Oc2[nH]c(=O)[nH]c(=O)c2F)C1 ZINC001229120081 776725993 /nfs/dbraw/zinc/72/59/93/776725993.db2.gz PVACZSJYMMAHBN-VHSXEESVSA-N 0 1 280.299 2.707 20 30 CFEDMN C=C(C)CN1CCC[C@@H]1CNC(=O)c1ncoc1C(C)C ZINC001028250243 776751195 /nfs/dbraw/zinc/75/11/95/776751195.db2.gz VBDYAWMHKXZGNM-CYBMUJFWSA-N 0 1 291.395 2.568 20 30 CFEDMN CC#C[C@@H](CC)Oc1[nH]c(=O)nc2cccc(OC)c21 ZINC001229243800 776764616 /nfs/dbraw/zinc/76/46/16/776764616.db2.gz XDPCKXJRHMYGMR-SNVBAGLBSA-N 0 1 272.304 2.525 20 30 CFEDMN CC#CCN1CCC[C@H]1CNC(=O)c1ccc(Cl)cc1 ZINC001028276314 776787902 /nfs/dbraw/zinc/78/79/02/776787902.db2.gz JGUNSNRXVVZTKR-HNNXBMFYSA-N 0 1 290.794 2.558 20 30 CFEDMN C=CCN1CCC[C@H]1CNC(=O)c1cccc(Cl)c1 ZINC001028281267 776804107 /nfs/dbraw/zinc/80/41/07/776804107.db2.gz HAFFPPDANPCUHY-AWEZNQCLSA-N 0 1 278.783 2.720 20 30 CFEDMN C=CCN1CCC[C@H]1CNC(=O)c1cc2[nH]ccc2s1 ZINC001028282988 776813160 /nfs/dbraw/zinc/81/31/60/776813160.db2.gz SGCNDIYHLACKIH-NSHDSACASA-N 0 1 289.404 2.610 20 30 CFEDMN C=CCC[C@H](C)N1CC(NC(=O)c2cccc3cc[nH]c32)C1 ZINC001268453564 776837996 /nfs/dbraw/zinc/83/79/96/776837996.db2.gz JIMXIMQUSQRXMY-ZDUSSCGKSA-N 0 1 297.402 2.937 20 30 CFEDMN C=CCCCN1CC(NC(=O)CCc2ccccc2C)C1 ZINC001268456859 776841083 /nfs/dbraw/zinc/84/10/83/776841083.db2.gz SSVHKOUNEZZAQU-UHFFFAOYSA-N 0 1 286.419 2.694 20 30 CFEDMN C=CCN1CCC[C@H]1CNC(=O)c1sccc1CC ZINC001028331132 776857857 /nfs/dbraw/zinc/85/78/57/776857857.db2.gz DAZAFXAEINJWKT-ZDUSSCGKSA-N 0 1 278.421 2.691 20 30 CFEDMN CC#CCN1CCC[C@H]1CNC(=O)C1CC(C(C)(C)C)C1 ZINC001028345208 776866123 /nfs/dbraw/zinc/86/61/23/776866123.db2.gz XCMZMTFZZRUGKC-GPANFISMSA-N 0 1 290.451 2.663 20 30 CFEDMN C#CCN1CCC[C@@H]1CNC(=O)c1ccc(CC)c(CC)c1 ZINC001028356483 776869678 /nfs/dbraw/zinc/86/96/78/776869678.db2.gz JREKWIAFMRKNOZ-GOSISDBHSA-N 0 1 298.430 2.639 20 30 CFEDMN C=C[C@H](C(=O)NC1CN(CC2CCC2)C1)c1ccccc1 ZINC001268483440 776879308 /nfs/dbraw/zinc/87/93/08/776879308.db2.gz MBXJHBKGVUKKFD-KRWDZBQOSA-N 0 1 284.403 2.557 20 30 CFEDMN CC[N@H+]1CCC[C@@H](Oc2ccccc2/C(C)=N/O)C1 ZINC001229736678 776883746 /nfs/dbraw/zinc/88/37/46/776883746.db2.gz HKVHIAMMHUSULA-MLDYKZIASA-N 0 1 262.353 2.748 20 30 CFEDMN CC[N@@H+]1CCC[C@@H](Oc2ccccc2/C(C)=N/[O-])C1 ZINC001229736678 776883750 /nfs/dbraw/zinc/88/37/50/776883750.db2.gz HKVHIAMMHUSULA-MLDYKZIASA-N 0 1 262.353 2.748 20 30 CFEDMN CC[N@H+]1CCC[C@@H](Oc2ccccc2/C(C)=N/[O-])C1 ZINC001229736678 776883753 /nfs/dbraw/zinc/88/37/53/776883753.db2.gz HKVHIAMMHUSULA-MLDYKZIASA-N 0 1 262.353 2.748 20 30 CFEDMN C=C1O[C@@H](CC)C(=O)C1Oc1ccc(C(=O)COC)cc1 ZINC001229740966 776885387 /nfs/dbraw/zinc/88/53/87/776885387.db2.gz KNJQVIIMQRBXQH-AWEZNQCLSA-N 0 1 290.315 2.504 20 30 CFEDMN C=CCN1CC[C@H](c2ccc(F)cc2)[C@H](NC(=O)CC)C1 ZINC001087460406 776940927 /nfs/dbraw/zinc/94/09/27/776940927.db2.gz HYVJMLLRWZXTKM-HZPDHXFCSA-N 0 1 290.382 2.696 20 30 CFEDMN N#C[C@@H](Oc1nc[nH]c(=O)c1Cl)c1cccc(F)c1 ZINC001230019215 776941426 /nfs/dbraw/zinc/94/14/26/776941426.db2.gz ZKZDRMPAJPIGSZ-SECBINFHSA-N 0 1 279.658 2.618 20 30 CFEDMN C=C1O[C@H](CC)C(=O)C1Oc1ccc(C(=O)OC)cc1F ZINC001230318376 776978219 /nfs/dbraw/zinc/97/82/19/776978219.db2.gz GUWMJZYJUUBJMC-LLVKDONJSA-N 0 1 294.278 2.601 20 30 CFEDMN C=C[C@H](C(=O)NC1CCN(CC#CC)CC1)c1ccccc1 ZINC001230333999 776980343 /nfs/dbraw/zinc/98/03/43/776980343.db2.gz BTEQSDJCYXBYQJ-SFHVURJKSA-N 0 1 296.414 2.560 20 30 CFEDMN C=C1O[C@@H](CC)C(=O)C1Oc1nnc(Cl)cc1CC ZINC001230543639 777008409 /nfs/dbraw/zinc/00/84/09/777008409.db2.gz KQCMEZYNSOAFQE-VIFPVBQESA-N 0 1 282.727 2.681 20 30 CFEDMN C#CC[C@H](CC)Oc1cc2[nH]ncc2cc1[N+](=O)[O-] ZINC001230602011 777023400 /nfs/dbraw/zinc/02/34/00/777023400.db2.gz TVWAWADRDBOTQG-JTQLQIEISA-N 0 1 259.265 2.652 20 30 CFEDMN CC#CCN(C)C[C@H](C)NC(=O)C[C@H]1CCc2ccccc21 ZINC001268752189 777044461 /nfs/dbraw/zinc/04/44/61/777044461.db2.gz OZUDKQJRYNVXPM-DOTOQJQBSA-N 0 1 298.430 2.566 20 30 CFEDMN C#CC[N@@H+]1CCC[C@@]2(CCN(C(=O)CCCCCC)C2)C1 ZINC001277473229 777099378 /nfs/dbraw/zinc/09/93/78/777099378.db2.gz BFJHETYTYBUCBG-GOSISDBHSA-N 0 1 290.451 2.905 20 30 CFEDMN C=CCC(C)(C)C(=O)N[C@H](CNCC(=C)Cl)C1CC1 ZINC001269120282 777104827 /nfs/dbraw/zinc/10/48/27/777104827.db2.gz JTMKWFPZPXKQBQ-CYBMUJFWSA-N 0 1 284.831 2.826 20 30 CFEDMN C=C[C@@H](CCC)Oc1nc(Cl)nc2[nH]ncc21 ZINC001231046806 777124861 /nfs/dbraw/zinc/12/48/61/777124861.db2.gz FLBQGXQETOJXRT-ZETCQYMHSA-N 0 1 252.705 2.740 20 30 CFEDMN C=CC[C@@H](C=C)Oc1[nH]c(=O)nc2cccc(F)c21 ZINC001231074638 777132911 /nfs/dbraw/zinc/13/29/11/777132911.db2.gz QIAGSEQQRMVQLZ-SECBINFHSA-N 0 1 260.268 2.984 20 30 CFEDMN C#C[C@H](CCC)Oc1[nH]c(=O)nc2cccc(F)c21 ZINC001231074980 777134127 /nfs/dbraw/zinc/13/41/27/777134127.db2.gz UUAJYQJWDUTDOV-SECBINFHSA-N 0 1 260.268 2.655 20 30 CFEDMN CC#CCN1CC[C@@H](N(CC)C(=O)C[C@@H]2CC=CCC2)C1 ZINC001269339293 777174070 /nfs/dbraw/zinc/17/40/70/777174070.db2.gz LCXJDKSTXONPLE-IAGOWNOFSA-N 0 1 288.435 2.679 20 30 CFEDMN C#CC[N@@H+]1CC[C@@H](CNC(=O)c2cc(C)ccc2C2CC2)C1 ZINC001028711931 777183553 /nfs/dbraw/zinc/18/35/53/777183553.db2.gz BDFMYUHPVVTRKE-HNNXBMFYSA-N 0 1 296.414 2.557 20 30 CFEDMN C#C[C@H](CCC)Oc1[nH]c(=O)nc2c(OC)cccc12 ZINC001231350690 777199184 /nfs/dbraw/zinc/19/91/84/777199184.db2.gz WNWJGOOFMLWLGT-SNVBAGLBSA-N 0 1 272.304 2.525 20 30 CFEDMN N#Cc1ccc2c(c1)CC[N@@H+](Cc1ccc(C(=O)[O-])s1)C2 ZINC001231462838 777228497 /nfs/dbraw/zinc/22/84/97/777228497.db2.gz QPGOGVZDSRACHA-UHFFFAOYSA-N 0 1 298.367 2.876 20 30 CFEDMN N#Cc1ccc2c(c1)CC[N@H+](Cc1ccc(C(=O)[O-])s1)C2 ZINC001231462838 777228508 /nfs/dbraw/zinc/22/85/08/777228508.db2.gz QPGOGVZDSRACHA-UHFFFAOYSA-N 0 1 298.367 2.876 20 30 CFEDMN C=C1CCC(C(=O)NC[C@H]2CCN(C/C=C\Cl)C2)CC1 ZINC001028779254 777242199 /nfs/dbraw/zinc/24/21/99/777242199.db2.gz XNTAVHNERWVOFK-UCEWNTHNSA-N 0 1 296.842 2.923 20 30 CFEDMN C=C(C)CCN1CC(N(C)C(=O)C(CC)CC)C1 ZINC001269755542 777244069 /nfs/dbraw/zinc/24/40/69/777244069.db2.gz RUXNLMPTPSJVHJ-UHFFFAOYSA-N 0 1 252.402 2.531 20 30 CFEDMN C=CCCCN1CC(N(C)C(=O)c2ccc(C)c(F)c2)C1 ZINC001269820794 777253345 /nfs/dbraw/zinc/25/33/45/777253345.db2.gz QUVSYIOCTHJPJP-UHFFFAOYSA-N 0 1 290.382 2.857 20 30 CFEDMN C=CCC[C@@H](C)N1CC(N(C)C(=O)C2(C)CCC2)C1 ZINC001269832149 777254652 /nfs/dbraw/zinc/25/46/52/777254652.db2.gz OSDFRKLUWVJJEH-CYBMUJFWSA-N 0 1 264.413 2.674 20 30 CFEDMN CCCC[N@@H+](CCC#N)Cc1cc(C(=O)[O-])ccc1O ZINC001231564044 777260510 /nfs/dbraw/zinc/26/05/10/777260510.db2.gz MTSNZFBFIJJSDB-UHFFFAOYSA-N 0 1 276.336 2.606 20 30 CFEDMN C=C1O[C@@H](CC)C(=O)C1Oc1cnc(Cl)c(F)c1 ZINC001225790469 777280153 /nfs/dbraw/zinc/28/01/53/777280153.db2.gz LDUTUTAZDBFJKV-VIFPVBQESA-N 0 1 271.675 2.862 20 30 CFEDMN COc1cc(C#N)ccc1CN1CC[C@@](C)(CF)C1 ZINC001231617387 777280228 /nfs/dbraw/zinc/28/02/28/777280228.db2.gz VTNQLGNNDXHXJU-HNNXBMFYSA-N 0 1 262.328 2.748 20 30 CFEDMN C#Cc1cccc(CN2CCN(c3cccc(O)c3)CC2)c1 ZINC001231660943 777297407 /nfs/dbraw/zinc/29/74/07/777297407.db2.gz LVHONSKCFAWCSI-UHFFFAOYSA-N 0 1 292.382 2.696 20 30 CFEDMN N#C[C@H]1CN(Cc2nc(-c3ccccc3)cs2)CCC1=O ZINC001231684518 777308701 /nfs/dbraw/zinc/30/87/01/777308701.db2.gz WLNFXIBZBNJODI-ZDUSSCGKSA-N 0 1 297.383 2.725 20 30 CFEDMN N#C[C@H]1CN(Cc2ccc(-c3ccccc3)o2)CCC1=O ZINC001231813264 777341737 /nfs/dbraw/zinc/34/17/37/777341737.db2.gz WPYHURZAPSGAOL-AWEZNQCLSA-N 0 1 280.327 2.861 20 30 CFEDMN CN(CCC#N)c1ccc(CN2CC3(CSC3)C2)cc1 ZINC001231821712 777342965 /nfs/dbraw/zinc/34/29/65/777342965.db2.gz JTPYAOLXJSCEGR-UHFFFAOYSA-N 0 1 287.432 2.585 20 30 CFEDMN C#CCCCCC(=O)N(C)C1CN([C@@H](C)CCC=C)C1 ZINC001277580093 777360573 /nfs/dbraw/zinc/36/05/73/777360573.db2.gz CCGVZXPRZXSSCN-HNNXBMFYSA-N 0 1 276.424 2.677 20 30 CFEDMN C=CCCN(Cc1ccccc1)Cc1ccc(=O)[nH]n1 ZINC001232025993 777416206 /nfs/dbraw/zinc/41/62/06/777416206.db2.gz XQTIFOSUQAUIJR-UHFFFAOYSA-N 0 1 269.348 2.761 20 30 CFEDMN C=CC(C)(C)CC(=O)N(C)C1CN(CCCC)C1 ZINC001277602729 777418657 /nfs/dbraw/zinc/41/86/57/777418657.db2.gz FXEALDGEMFXFHC-UHFFFAOYSA-N 0 1 252.402 2.531 20 30 CFEDMN C[C@@]1(O)CCCN(Cc2ccc(C#N)c(Cl)c2)CC1 ZINC001232111181 777442391 /nfs/dbraw/zinc/44/23/91/777442391.db2.gz BDXFGHNNZLZBRY-OAHLLOKOSA-N 0 1 278.783 2.949 20 30 CFEDMN C[C@@H]1CN(Cc2ccc(C#N)c(Cl)c2)CC[C@@]1(C)O ZINC001232111105 777443056 /nfs/dbraw/zinc/44/30/56/777443056.db2.gz AJDYNHKNXLRPQP-IAQYHMDHSA-N 0 1 278.783 2.804 20 30 CFEDMN C[C@H]1CC[C@H](CO)CN1Cc1ccc(C#N)c(Cl)c1 ZINC001232111962 777443550 /nfs/dbraw/zinc/44/35/50/777443550.db2.gz MSOAGIZNHBQZON-AAEUAGOBSA-N 0 1 278.783 2.804 20 30 CFEDMN N#Cc1ccc(CN2CC[C@@H](F)[C@@H](O)CC2)cc1Cl ZINC001232112215 777443909 /nfs/dbraw/zinc/44/39/09/777443909.db2.gz RORVUJFNTULNPI-KGLIPLIRSA-N 0 1 282.746 2.506 20 30 CFEDMN C=C(Cl)CNC[C@H](C1CC1)N(C)C(=O)[C@@H]1CC=CCC1 ZINC001277615055 777444058 /nfs/dbraw/zinc/44/40/58/777444058.db2.gz HZFGDIVXLIIBOW-HUUCEWRRSA-N 0 1 296.842 2.922 20 30 CFEDMN CC#CCN1CC[C@H](NC(=O)c2cccc(C)c2)[C@H]1CC ZINC001087492529 777505570 /nfs/dbraw/zinc/50/55/70/777505570.db2.gz FAPQUTJQPFNRPX-DLBZAZTESA-N 0 1 284.403 2.601 20 30 CFEDMN C=CCCCN1CC(N(C)C(=O)c2cc[nH]c2C(C)C)C1 ZINC001277644661 777509566 /nfs/dbraw/zinc/50/95/66/777509566.db2.gz MTFRFZHVRKQUPB-UHFFFAOYSA-N 0 1 289.423 2.861 20 30 CFEDMN COc1ccc(CN2CCC[C@@H](C#N)CC2)c(C)n1 ZINC001232334331 777526096 /nfs/dbraw/zinc/52/60/96/777526096.db2.gz AJRLYPRLABRIRC-CYBMUJFWSA-N 0 1 259.353 2.524 20 30 CFEDMN COc1ccc(CN2CCC[C@@H](CC#N)C2)c(C)n1 ZINC001232335474 777526370 /nfs/dbraw/zinc/52/63/70/777526370.db2.gz ZRMIZXCWYPUAQO-ZDUSSCGKSA-N 0 1 259.353 2.524 20 30 CFEDMN COc1cc(C)c(C[N@@H+](C)Cc2cccc(C#N)c2)cn1 ZINC001232354123 777534639 /nfs/dbraw/zinc/53/46/39/777534639.db2.gz LFKBQJOPUIVXSR-UHFFFAOYSA-N 0 1 281.359 2.902 20 30 CFEDMN COc1cc(C)c(CN(C)Cc2cccc(C#N)c2)cn1 ZINC001232354123 777534641 /nfs/dbraw/zinc/53/46/41/777534641.db2.gz LFKBQJOPUIVXSR-UHFFFAOYSA-N 0 1 281.359 2.902 20 30 CFEDMN COC(=O)CC/N=C/c1cc(Cl)cc(Cl)c1O ZINC000126779164 777541562 /nfs/dbraw/zinc/54/15/62/777541562.db2.gz MOEFPKAUZFJZGQ-MKMNVTDBSA-N 0 1 276.119 2.681 20 30 CFEDMN C[N@@H+](CCc1ccccc1)Cc1cc(C#N)ccn1 ZINC001232475674 777574835 /nfs/dbraw/zinc/57/48/35/777574835.db2.gz RQKQZPYXYUYCNC-UHFFFAOYSA-N 0 1 251.333 2.628 20 30 CFEDMN Cc1ccc(CN(C)Cc2cc(C#N)ccn2)cc1 ZINC001232480574 777575968 /nfs/dbraw/zinc/57/59/68/777575968.db2.gz DRKVBJPFOSKXKK-UHFFFAOYSA-N 0 1 251.333 2.894 20 30 CFEDMN C#CC1CCN(Cc2cccc(Br)c2N)CC1 ZINC001232526642 777592533 /nfs/dbraw/zinc/59/25/33/777592533.db2.gz MFYDOFNBKMXGQY-UHFFFAOYSA-N 0 1 293.208 2.877 20 30 CFEDMN C=CCCC(=O)N(C)[C@H](C)CNCc1c(F)cccc1F ZINC001270915437 777603331 /nfs/dbraw/zinc/60/33/31/777603331.db2.gz WRZNDEQGUMVPKK-GFCCVEGCSA-N 0 1 296.361 2.868 20 30 CFEDMN COc1cccc(C)c1CN1CCC2SC(=O)C=C2C1 ZINC001232620639 777620893 /nfs/dbraw/zinc/62/08/93/777620893.db2.gz PPNKRDRFJVSSFQ-HNNXBMFYSA-N 0 1 289.400 2.778 20 30 CFEDMN C[C@@H](C#N)N(C)Cc1cc(F)c(O)c(Br)c1 ZINC001232637110 777626696 /nfs/dbraw/zinc/62/66/96/777626696.db2.gz MXRHSLRPRWQYFP-ZETCQYMHSA-N 0 1 287.132 2.638 20 30 CFEDMN C[N@@H+](Cc1ccc(C#N)cc1)Cc1cc(C#N)ccc1[O-] ZINC001232676566 777638499 /nfs/dbraw/zinc/63/84/99/777638499.db2.gz MDWZJKXEBXACAR-UHFFFAOYSA-N 0 1 277.327 2.768 20 30 CFEDMN N#Cc1ccc([O-])c(C[N@@H+]2C[C@H]3[C@H](CCC3(F)F)C2)c1 ZINC001232675030 777638951 /nfs/dbraw/zinc/63/89/51/777638951.db2.gz KDJWDRZGXQRQSM-YPMHNXCESA-N 0 1 278.302 2.741 20 30 CFEDMN C[C@@H]1C(=O)CC[N@@H+](Cc2cc(C#N)ccc2[O-])C12CCCC2 ZINC001232680962 777639929 /nfs/dbraw/zinc/63/99/29/777639929.db2.gz JFINMUBIPMPRAI-CYBMUJFWSA-N 0 1 298.386 2.988 20 30 CFEDMN C#CCN1CC[C@H](NC(=O)c2csc(C)c2C)[C@H]1CC ZINC001087584801 777663307 /nfs/dbraw/zinc/66/33/07/777663307.db2.gz YKRACZFOLMAJEU-LSDHHAIUSA-N 0 1 290.432 2.581 20 30 CFEDMN COc1cc(O)cc(CN(C)Cc2ccc(C#N)cc2)c1 ZINC001232803625 777674996 /nfs/dbraw/zinc/67/49/96/777674996.db2.gz OCFPCBBSRRUUKY-UHFFFAOYSA-N 0 1 282.343 2.904 20 30 CFEDMN N#Cc1ccc(C[N@H+]2CC[C@@]3(C2)CCCCO3)s1 ZINC001232844594 777692352 /nfs/dbraw/zinc/69/23/52/777692352.db2.gz VWRYSEJXDUHQAW-CQSZACIVSA-N 0 1 262.378 2.765 20 30 CFEDMN N#Cc1ccc(CN2CC[C@@]3(C2)CCCCO3)s1 ZINC001232844594 777692355 /nfs/dbraw/zinc/69/23/55/777692355.db2.gz VWRYSEJXDUHQAW-CQSZACIVSA-N 0 1 262.378 2.765 20 30 CFEDMN C#CCN1CC[C@H](NC(=O)c2cc3ccccc3o2)[C@H]1CC ZINC001087818751 777709236 /nfs/dbraw/zinc/70/92/36/777709236.db2.gz LGXUDXCMZKAVLX-LSDHHAIUSA-N 0 1 296.370 2.649 20 30 CFEDMN C#CCN1CC[C@H](NC(=O)c2ccc(C3CC3)cc2)[C@H]1CC ZINC001087837559 777715089 /nfs/dbraw/zinc/71/50/89/777715089.db2.gz QPVXJBRHQWBPHW-ZWKOTPCHSA-N 0 1 296.414 2.780 20 30 CFEDMN N#Cc1cccc(CN2CCC[C@H](c3ccccn3)C2)n1 ZINC001232924624 777721384 /nfs/dbraw/zinc/72/13/84/777721384.db2.gz OZUJERYKNHBGJK-AWEZNQCLSA-N 0 1 278.359 2.728 20 30 CFEDMN Cc1ccccc1O[C@@H]1CCN(Cc2cccc(C#N)n2)C1 ZINC001232924833 777721922 /nfs/dbraw/zinc/72/19/22/777721922.db2.gz VRTRKNNWGMTDNA-QGZVFWFLSA-N 0 1 293.370 2.915 20 30 CFEDMN N#CCC1CCN(Cc2ccc(OC(F)F)nc2)CC1 ZINC001232956533 777739761 /nfs/dbraw/zinc/73/97/61/777739761.db2.gz ZPBYDJJXSOAGLM-UHFFFAOYSA-N 0 1 281.306 2.809 20 30 CFEDMN Cc1ccc(CN2CCC[C@@]23CCOC3)c(C#N)c1 ZINC001232967827 777744413 /nfs/dbraw/zinc/74/44/13/777744413.db2.gz XWBWKVTUPUHWIT-INIZCTEOSA-N 0 1 256.349 2.622 20 30 CFEDMN CCCC[C@H](C)C(=O)NCCNCc1ccccc1C#N ZINC001126561724 777765846 /nfs/dbraw/zinc/76/58/46/777765846.db2.gz SJCICBOZEHUUQR-AWEZNQCLSA-N 0 1 287.407 2.590 20 30 CFEDMN N#C[C@@H]1CCCN(Cc2cc(Cl)ncc2O)CC1 ZINC001233034946 777771983 /nfs/dbraw/zinc/77/19/83/777771983.db2.gz TVFDHMJRWNCSKV-SNVBAGLBSA-N 0 1 265.744 2.566 20 30 CFEDMN Cc1ccc(CN2CCN(Cc3[nH]ccc3C#N)CC2)cc1 ZINC001233045144 777774600 /nfs/dbraw/zinc/77/46/00/777774600.db2.gz PUVYYUPZLFOBJJ-UHFFFAOYSA-N 0 1 294.402 2.513 20 30 CFEDMN C[C@@H](c1ccccc1)N1CCN(Cc2[nH]ccc2C#N)CC1 ZINC001233047385 777775969 /nfs/dbraw/zinc/77/59/69/777775969.db2.gz YLOCSWAEYZJPDN-HNNXBMFYSA-N 0 1 294.402 2.765 20 30 CFEDMN C=CCN1C[C@@H]2CCN(C(=O)c3csc(C)c3C)[C@@H]2C1 ZINC001075831198 777785239 /nfs/dbraw/zinc/78/52/39/777785239.db2.gz MUVKCCNLMLZORS-DZGCQCFKSA-N 0 1 290.432 2.697 20 30 CFEDMN C[C@@H]1CCCN(Cc2ccc(N(C)C)c(C#N)c2F)C1 ZINC001233097142 777794983 /nfs/dbraw/zinc/79/49/83/777794983.db2.gz QTAVTXPWNMFOTG-GFCCVEGCSA-N 0 1 275.371 2.995 20 30 CFEDMN C#C[C@@H]1CCC[N@H+](Cc2c([O-])ccc(F)c2F)C1 ZINC001233335475 777893552 /nfs/dbraw/zinc/89/35/52/777893552.db2.gz WTNDDONOMXFPCG-SNVBAGLBSA-N 0 1 251.276 2.516 20 30 CFEDMN N#Cc1ccc(C[N@H+]2CC[C@H](Oc3ccccc3)C2)c([O-])c1 ZINC001233386102 777927327 /nfs/dbraw/zinc/92/73/27/777927327.db2.gz GNBHRVBRGAYXQK-KRWDZBQOSA-N 0 1 294.354 2.917 20 30 CFEDMN C[N@@H+](CCC(=O)c1ccccc1)Cc1ccc(C#N)cc1[O-] ZINC001233386190 777928145 /nfs/dbraw/zinc/92/81/45/777928145.db2.gz JJIUMMMEZKAVFG-UHFFFAOYSA-N 0 1 294.354 2.969 20 30 CFEDMN C=C1O[C@@H](C)C(=O)C1Oc1c(F)ccc(OC)c1F ZINC001227850437 777942892 /nfs/dbraw/zinc/94/28/92/777942892.db2.gz IHPGNWLHVFOBGP-LURJTMIESA-N 0 1 270.231 2.572 20 30 CFEDMN C=C1O[C@@H](CC)C(=O)C1Oc1ccc(C(=O)CC#N)cc1 ZINC001233525051 777978330 /nfs/dbraw/zinc/97/83/30/777978330.db2.gz IAUCIAPFZDZRDF-AWEZNQCLSA-N 0 1 285.299 2.771 20 30 CFEDMN C=C1O[C@H](CC)C(=O)C1Oc1ccc(C(=O)CC#N)cc1 ZINC001233525053 777978404 /nfs/dbraw/zinc/97/84/04/777978404.db2.gz IAUCIAPFZDZRDF-CQSZACIVSA-N 0 1 285.299 2.771 20 30 CFEDMN C=C(C)CN1CC[C@H]1CN(C)C(=O)C(C)=C1CCCC1 ZINC001233578919 777997624 /nfs/dbraw/zinc/99/76/24/777997624.db2.gz CLIBCEPWJGRUOY-INIZCTEOSA-N 0 1 276.424 2.986 20 30 CFEDMN C=C[C@@H](C#CC(C)(C)C)Oc1n[nH]c(=O)cc1Cl ZINC001233591294 778002258 /nfs/dbraw/zinc/00/22/58/778002258.db2.gz WBPNNBBARPMCJH-VIFPVBQESA-N 0 1 266.728 2.819 20 30 CFEDMN C[C@H]1C[C@@H](N(CCC#N)Cc2ccccc2)CCO1 ZINC001168103904 778046785 /nfs/dbraw/zinc/04/67/85/778046785.db2.gz KGEYCMJCQKTAGW-HOCLYGCPSA-N 0 1 258.365 2.970 20 30 CFEDMN C=C1O[C@@H](C)C(=O)C1Oc1cccc(OC(F)F)c1 ZINC001233963471 778124108 /nfs/dbraw/zinc/12/41/08/778124108.db2.gz ORTMDLKXCUABKN-ZETCQYMHSA-N 0 1 270.231 2.886 20 30 CFEDMN C#C[C@H](CCCC)Oc1nc2cccc(C(=O)OC)c2[n-]1 ZINC001234043538 778150925 /nfs/dbraw/zinc/15/09/25/778150925.db2.gz DGEMIZXMTSAGJB-LLVKDONJSA-N 0 1 286.331 2.920 20 30 CFEDMN C#C[C@H](CCCC)Oc1nc2cccc(C(=O)OC)c2[nH]1 ZINC001234043538 778150931 /nfs/dbraw/zinc/15/09/31/778150931.db2.gz DGEMIZXMTSAGJB-LLVKDONJSA-N 0 1 286.331 2.920 20 30 CFEDMN C=C1O[C@H](CC)C(=O)C1Oc1cnc(OC)c(Cl)c1 ZINC001234045138 778152186 /nfs/dbraw/zinc/15/21/86/778152186.db2.gz AWBZFLISUKVRTL-SNVBAGLBSA-N 0 1 283.711 2.732 20 30 CFEDMN C=C1O[C@H](CC)C(=O)C1Oc1ccc(OC(C)C)nc1 ZINC001234048316 778152599 /nfs/dbraw/zinc/15/25/99/778152599.db2.gz IYTFDVSVRYFZAW-GFCCVEGCSA-N 0 1 277.320 2.857 20 30 CFEDMN CC[C@@H](C)C(=O)NCCCN(C)Cc1ccccc1C#N ZINC001234127617 778172050 /nfs/dbraw/zinc/17/20/50/778172050.db2.gz YTYAFUCGURGGGM-CQSZACIVSA-N 0 1 287.407 2.542 20 30 CFEDMN C#C[C@@H](CC(C)C)Oc1[nH]c(=O)nc2cccc(C#N)c21 ZINC001234513446 778241205 /nfs/dbraw/zinc/24/12/05/778241205.db2.gz KWFOAWPPVUYKJG-LBPRGKRZSA-N 0 1 281.315 2.634 20 30 CFEDMN C=CCN1CC[C@@H]1CN(C)C(=O)CC(C)(C)CC ZINC001234528561 778245186 /nfs/dbraw/zinc/24/51/86/778245186.db2.gz UJRUPNXDHJHMRV-CYBMUJFWSA-N 0 1 252.402 2.531 20 30 CFEDMN C=C(C)CCN1CC(N(C)C(=O)C2=CCCCCC2)C1 ZINC001042653316 778267230 /nfs/dbraw/zinc/26/72/30/778267230.db2.gz LYWMXXNOGOBKPJ-UHFFFAOYSA-N 0 1 276.424 2.986 20 30 CFEDMN CC(C)[N@@H+]1CCC[C@@H](Oc2ccccc2C=N[O-])C1 ZINC001234820661 778301391 /nfs/dbraw/zinc/30/13/91/778301391.db2.gz XXHVSIQJRMMUAR-CQSZACIVSA-N 0 1 262.353 2.746 20 30 CFEDMN CC(C)[N@H+]1CCC[C@@H](Oc2ccccc2C=N[O-])C1 ZINC001234820661 778301398 /nfs/dbraw/zinc/30/13/98/778301398.db2.gz XXHVSIQJRMMUAR-CQSZACIVSA-N 0 1 262.353 2.746 20 30 CFEDMN O=[N+]([O-])c1ccc2c(c1)C[C@H](Oc1ccccc1C=NO)C2 ZINC001234823341 778302999 /nfs/dbraw/zinc/30/29/99/778302999.db2.gz STVYTLOCKAGQDT-OAHLLOKOSA-N 0 1 298.298 2.949 20 30 CFEDMN C=C1O[C@@H](C)C(=O)C1Oc1cc(Cl)c(OC)cc1OC ZINC001234941819 778335614 /nfs/dbraw/zinc/33/56/14/778335614.db2.gz INRCCCVGJHFOFT-ZETCQYMHSA-N 0 1 298.722 2.955 20 30 CFEDMN C=CCN(CC=C)Cc1ccc(OC)c(C(=O)OC)c1 ZINC001234964960 778342601 /nfs/dbraw/zinc/34/26/01/778342601.db2.gz PMQANIBBQGOFFC-UHFFFAOYSA-N 0 1 275.348 2.656 20 30 CFEDMN C=C(C)CN1CC[C@H]1CN(C)C(=O)C1(CC(C)C)CC1 ZINC001235193595 778408845 /nfs/dbraw/zinc/40/88/45/778408845.db2.gz RYTPJPDPNMBPFS-HNNXBMFYSA-N 0 1 278.440 2.922 20 30 CFEDMN CC(C)N1CC(Nc2cccc3[nH]c(C#N)cc32)C1 ZINC001168316395 778427766 /nfs/dbraw/zinc/42/77/66/778427766.db2.gz XWXKEYPBGBQCLG-UHFFFAOYSA-N 0 1 254.337 2.544 20 30 CFEDMN CN(CCC#N)Cc1cc(F)cc(Br)c1O ZINC001235297454 778448296 /nfs/dbraw/zinc/44/82/96/778448296.db2.gz MKDJCGKWESRKEX-UHFFFAOYSA-N 0 1 287.132 2.639 20 30 CFEDMN C=CCN1CC[C@H](NC(=O)c2cccc(C(C)C)n2)[C@H]1C ZINC001088710632 778448939 /nfs/dbraw/zinc/44/89/39/778448939.db2.gz YJGBZWFBYAIFFP-HIFRSBDPSA-N 0 1 287.407 2.584 20 30 CFEDMN C#CCCN1CC[C@H](NC(=O)c2ccc(CC)s2)[C@H]1C ZINC001088715161 778452629 /nfs/dbraw/zinc/45/26/29/778452629.db2.gz WTOXDKGIZKNYSB-OCCSQVGLSA-N 0 1 290.432 2.526 20 30 CFEDMN N#CCc1ccccc1CN1CCC(F)(F)CC1 ZINC001235510579 778508778 /nfs/dbraw/zinc/50/87/78/778508778.db2.gz CKJAOMRZWMVVNV-UHFFFAOYSA-N 0 1 250.292 2.984 20 30 CFEDMN C[C@@H](NCCNC(=O)C#CC1CC1)c1ccccc1Cl ZINC001126885289 778516555 /nfs/dbraw/zinc/51/65/55/778516555.db2.gz DXHKIVXYSFTMFW-GFCCVEGCSA-N 0 1 290.794 2.520 20 30 CFEDMN C=CC[N@@H+]1CC[C@@H]1CN(C)C(=O)C/C=C/Cc1ccccc1 ZINC001235549646 778517292 /nfs/dbraw/zinc/51/72/92/778517292.db2.gz IFROQSIMODWZHW-LKGOPFMKSA-N 0 1 298.430 2.894 20 30 CFEDMN C=CCN1CC[C@@H]1CN(C)C(=O)C/C=C/Cc1ccccc1 ZINC001235549646 778517295 /nfs/dbraw/zinc/51/72/95/778517295.db2.gz IFROQSIMODWZHW-LKGOPFMKSA-N 0 1 298.430 2.894 20 30 CFEDMN C=CCN1CC[C@H](NC(=O)c2coc(C(F)F)c2)[C@H]1C ZINC001088820572 778532858 /nfs/dbraw/zinc/53/28/58/778532858.db2.gz ACBKWNDSYOQWQA-KOLCDFICSA-N 0 1 284.306 2.596 20 30 CFEDMN CN[C@H]1CCN1Cc1ccccc1C#Cc1ccccc1 ZINC001236166880 778723557 /nfs/dbraw/zinc/72/35/57/778723557.db2.gz JFPPOZKYLHJWBA-LJQANCHMSA-N 0 1 276.383 2.838 20 30 CFEDMN C=C(C)CCN1CC(NC(=O)CC2CCCCC2)C1 ZINC001030083927 778781747 /nfs/dbraw/zinc/78/17/47/778781747.db2.gz JYEPRAIOUURETO-UHFFFAOYSA-N 0 1 264.413 2.723 20 30 CFEDMN COc1cc(C#N)nc(-c2c(F)ccc(C)c2O)c1 ZINC001236391496 778799788 /nfs/dbraw/zinc/79/97/88/778799788.db2.gz JGXYFZMITLVECN-UHFFFAOYSA-N 0 1 258.252 2.782 20 30 CFEDMN C=C1O[C@H](CC)C(=O)C1OCCCCOC(=O)C(C)(C)C ZINC001225144737 778850364 /nfs/dbraw/zinc/85/03/64/778850364.db2.gz QTTUBJKDYISBTF-GFCCVEGCSA-N 0 1 298.379 2.982 20 30 CFEDMN COc1ccccc1NC(=O)C(C#N)C(=O)CCC(C)C ZINC000129852852 778856718 /nfs/dbraw/zinc/85/67/18/778856718.db2.gz GRQKODVRDYYPFY-LBPRGKRZSA-N 0 1 288.347 2.779 20 30 CFEDMN C[C@@H]1CCN(Cc2ccc(C#N)c(Cl)c2)CC[C@@H]1O ZINC001232112546 778899286 /nfs/dbraw/zinc/89/92/86/778899286.db2.gz XNVCAUHZSOIVJK-ABAIWWIYSA-N 0 1 278.783 2.804 20 30 CFEDMN N#Cc1ccc(CN2CCC[C@]23CCOC3)cc1Cl ZINC001232116182 778900189 /nfs/dbraw/zinc/90/01/89/778900189.db2.gz JCERBTAUXFKKRG-OAHLLOKOSA-N 0 1 276.767 2.967 20 30 CFEDMN C=C(C)CN1CC[C@H](NC(=O)c2cc(C(C)C)no2)[C@H]1C ZINC001088897675 778940186 /nfs/dbraw/zinc/94/01/86/778940186.db2.gz SDORWHLSEDZEMY-OLZOCXBDSA-N 0 1 291.395 2.567 20 30 CFEDMN C=C(C)CN1CC[C@H](NC(=O)c2cnoc2C(C)C)[C@H]1C ZINC001088954277 778959543 /nfs/dbraw/zinc/95/95/43/778959543.db2.gz PXDSVVZYEHVUNF-OCCSQVGLSA-N 0 1 291.395 2.567 20 30 CFEDMN C=CCN1CC[C@H](NC(=O)c2ccoc2CCC)[C@H]1C ZINC001088978823 778965755 /nfs/dbraw/zinc/96/57/55/778965755.db2.gz FSHYEXUAFWNYNJ-OCCSQVGLSA-N 0 1 276.380 2.611 20 30 CFEDMN C=CCN1CC[C@H](NC(=O)c2ccc3ccccc3n2)[C@H]1C ZINC001088998487 778972395 /nfs/dbraw/zinc/97/23/95/778972395.db2.gz XTOQUJZXSWUCNF-HIFRSBDPSA-N 0 1 295.386 2.613 20 30 CFEDMN C#CCN1CC[C@H](NC(=O)C2(C3CCCCC3)CC2)[C@H]1C ZINC001089005948 778972655 /nfs/dbraw/zinc/97/26/55/778972655.db2.gz HPXHJNGMRYDXAR-ZBFHGGJFSA-N 0 1 288.435 2.559 20 30 CFEDMN C=CCN1CC[C@H](NC(=O)c2ccc(C3CC3)cc2)[C@H]1C ZINC001089053595 778982699 /nfs/dbraw/zinc/98/26/99/778982699.db2.gz DQUZFUGIFKYKQP-DYVFJYSZSA-N 0 1 284.403 2.943 20 30 CFEDMN C=CCC[C@H]1CCCN1C(=O)CCSc1nnc(C)[nH]1 ZINC001120814058 778985089 /nfs/dbraw/zinc/98/50/89/778985089.db2.gz UXYFEPHJPCHQCK-LBPRGKRZSA-N 0 1 294.424 2.553 20 30 CFEDMN C=CCN1CC[C@H](NC(=O)[C@]2(C)CCc3ccccc32)[C@H]1C ZINC001089070219 778986436 /nfs/dbraw/zinc/98/64/36/778986436.db2.gz TWVJNNXHIDMSII-DKSSEZFCSA-N 0 1 298.430 2.656 20 30 CFEDMN C=CCN1CC[C@H](NC(=O)c2coc3ccccc23)[C@H]1C ZINC001089075886 778990339 /nfs/dbraw/zinc/99/03/39/778990339.db2.gz YJSRYVUFKVDHAW-DOMZBBRYSA-N 0 1 284.359 2.811 20 30 CFEDMN C#Cc1ccc(C(=O)NC2CN(CC3CC(C)(C)C3)C2)cc1 ZINC001030777358 779020943 /nfs/dbraw/zinc/02/09/43/779020943.db2.gz VENLYNPRSXBXSG-UHFFFAOYSA-N 0 1 296.414 2.518 20 30 CFEDMN CC[N@@H+](Cc1ccncc1)Cc1ccc(C#N)cc1[O-] ZINC001233383548 779037699 /nfs/dbraw/zinc/03/76/99/779037699.db2.gz MERBEXSJMBMDHI-UHFFFAOYSA-N 0 1 267.332 2.681 20 30 CFEDMN C#CCCCCC(=O)N(C)C[C@H]1CCN1CC=C(C)C ZINC001233760251 779083617 /nfs/dbraw/zinc/08/36/17/779083617.db2.gz AIIQKEKPNPVVIQ-MRXNPFEDSA-N 0 1 276.424 2.679 20 30 CFEDMN COc1ccc2c(c1)[nH]nc2CN1CCC(CC#N)CC1 ZINC001237392852 779093594 /nfs/dbraw/zinc/09/35/94/779093594.db2.gz UTOSOQHGEYDCGQ-UHFFFAOYSA-N 0 1 284.363 2.697 20 30 CFEDMN COc1csc(C(=O)Nc2cc(C#N)ccc2O)c1 ZINC000176394036 779121753 /nfs/dbraw/zinc/12/17/53/779121753.db2.gz FIAJULWEDNYJAH-UHFFFAOYSA-N 0 1 274.301 2.586 20 30 CFEDMN CC(=O)c1csc(C(=O)Nc2cc(C#N)ccc2O)c1 ZINC000176398287 779122308 /nfs/dbraw/zinc/12/23/08/779122308.db2.gz BNVMHWZXIQCFDP-UHFFFAOYSA-N 0 1 286.312 2.780 20 30 CFEDMN C=C(Cl)CN1CC[C@@H](NC(=O)C2CC2)CC(C)(C)C1 ZINC001089291848 779137333 /nfs/dbraw/zinc/13/73/33/779137333.db2.gz YQIGRGPGOQFTCC-CYBMUJFWSA-N 0 1 284.831 2.756 20 30 CFEDMN C#CCN(C(=O)[C@@H](C)CC)C1CCN(C/C=C\Cl)CC1 ZINC001278121721 779142796 /nfs/dbraw/zinc/14/27/96/779142796.db2.gz KWELYJGXWXLGFL-PIZKADEWSA-N 0 1 296.842 2.711 20 30 CFEDMN C=CCN(Cc1cn2cc(C#N)ccc2n1)C(C)(C)C ZINC001237616678 779144440 /nfs/dbraw/zinc/14/44/40/779144440.db2.gz DXBCJLQNHCRJLO-UHFFFAOYSA-N 0 1 268.364 2.992 20 30 CFEDMN C#CCCC[NH2+]Cc1cccc([O-])c1Br ZINC000315768298 779169270 /nfs/dbraw/zinc/16/92/70/779169270.db2.gz UWBWQAAWGMTQKJ-UHFFFAOYSA-N 0 1 268.154 2.658 20 30 CFEDMN N#Cc1cc(Cl)cc(CN2CCCC[C@](O)(CF)C2)c1 ZINC001237747372 779173005 /nfs/dbraw/zinc/17/30/05/779173005.db2.gz VIJLYERRMUJZCU-HNNXBMFYSA-N 0 1 296.773 2.898 20 30 CFEDMN N#Cc1cc(Cl)cc(CN2CCC3(COC3)CC2)c1 ZINC001237744856 779173343 /nfs/dbraw/zinc/17/33/43/779173343.db2.gz ADLIYWYAXIFRKZ-UHFFFAOYSA-N 0 1 276.767 2.824 20 30 CFEDMN C=CCOC(=O)N[C@H]1CCCN(Cc2ccsc2C)C1 ZINC001237976459 779220408 /nfs/dbraw/zinc/22/04/08/779220408.db2.gz OQASRDBBWCKUQG-AWEZNQCLSA-N 0 1 294.420 2.933 20 30 CFEDMN N#C[C@@H]1CCCN(Cc2cc(F)c(O)c(Cl)c2)C1 ZINC001237998954 779227130 /nfs/dbraw/zinc/22/71/30/779227130.db2.gz YOVCPOIXIWHDKB-VIFPVBQESA-N 0 1 268.719 2.920 20 30 CFEDMN CCCN1CC[C@@H]2C[C@@]21C(=O)Nc1cc(C)ccc1C#N ZINC001278186816 779250445 /nfs/dbraw/zinc/25/04/45/779250445.db2.gz OWFRVRUMTPZITJ-PBHICJAKSA-N 0 1 283.375 2.680 20 30 CFEDMN CCCCN(CCC#N)Cc1cccc2cncn21 ZINC001238113404 779255927 /nfs/dbraw/zinc/25/59/27/779255927.db2.gz KJVSHHKNEJKAHH-UHFFFAOYSA-N 0 1 256.353 2.850 20 30 CFEDMN CC1(C#N)CN(Cc2cc(Cl)c(O)cc2F)C1 ZINC001238144567 779260710 /nfs/dbraw/zinc/26/07/10/779260710.db2.gz VRJLVEHGDPZWMP-UHFFFAOYSA-N 0 1 254.692 2.530 20 30 CFEDMN COc1cc(C[N@H+]2CC[C@H]3O[C@@H](C)C[C@H]3C2)ccc1C#N ZINC001238406903 779307696 /nfs/dbraw/zinc/30/76/96/779307696.db2.gz RTRJUASYUXXZMU-VBNZEHGJSA-N 0 1 286.375 2.566 20 30 CFEDMN C=C(C)CN1CC[C@](C)(NC(=O)c2csc(Cl)n2)C1 ZINC001046752062 779350535 /nfs/dbraw/zinc/35/05/35/779350535.db2.gz XLNOTEQAPVXILY-ZDUSSCGKSA-N 0 1 299.827 2.567 20 30 CFEDMN C#CCN1CCC(OC(=O)c2cccc(C)c2Cl)CC1 ZINC001123349093 779390662 /nfs/dbraw/zinc/39/06/62/779390662.db2.gz OTENQKHLDJFOMI-UHFFFAOYSA-N 0 1 291.778 2.903 20 30 CFEDMN CN1CCN(c2cc(-c3ccccc3CC#N)ccn2)CC1 ZINC001238820536 779398993 /nfs/dbraw/zinc/39/89/93/779398993.db2.gz BASQHZGBBXWRSG-UHFFFAOYSA-N 0 1 292.386 2.566 20 30 CFEDMN CN1CCN(c2cc(-c3ccc(CC#N)cc3)ccn2)CC1 ZINC001238821724 779399442 /nfs/dbraw/zinc/39/94/42/779399442.db2.gz MEJHWRKADKZECI-UHFFFAOYSA-N 0 1 292.386 2.566 20 30 CFEDMN C=CCN1CC[C@@]2(CCCN2Cc2cccc(F)c2)C1=O ZINC001272654250 779405131 /nfs/dbraw/zinc/40/51/31/779405131.db2.gz VJOVDFOKPSLQSH-KRWDZBQOSA-N 0 1 288.366 2.579 20 30 CFEDMN CC#CCN(C)Cc1ccccc1CNC(=O)C1CCC1 ZINC001272661367 779425090 /nfs/dbraw/zinc/42/50/90/779425090.db2.gz DHBVVNBRYYQCGH-UHFFFAOYSA-N 0 1 284.403 2.558 20 30 CFEDMN C=C(C)CCN1CC(NC(=O)Cc2ccccc2Cl)C1 ZINC001031354539 779436632 /nfs/dbraw/zinc/43/66/32/779436632.db2.gz NSEDOSBBGTUCJG-UHFFFAOYSA-N 0 1 292.810 2.649 20 30 CFEDMN C=C(C)CCN1CC(NC(=O)C[C@@H]2CCCC[C@@H]2C)C1 ZINC001031470096 779464850 /nfs/dbraw/zinc/46/48/50/779464850.db2.gz DPRLGOTVUXKKSI-GJZGRUSLSA-N 0 1 278.440 2.969 20 30 CFEDMN CCCCCCC[C@H](C)NC(=O)N1CCN[C@H](C)C1 ZINC001239271267 779496731 /nfs/dbraw/zinc/49/67/31/779496731.db2.gz VWBIQKCAZPATLO-UONOGXRCSA-N 0 1 269.433 2.739 20 30 CFEDMN C=C(C)C[N@H+](C)Cc1ccccc1CNC(=O)C#CC1CC1 ZINC001272670402 779519389 /nfs/dbraw/zinc/51/93/89/779519389.db2.gz QNUBPLAUSZXTFV-UHFFFAOYSA-N 0 1 296.414 2.724 20 30 CFEDMN CC(=O)NC[C@@H]1CCC(C)(C)CN1CC#Cc1ccccc1 ZINC001089598697 779536169 /nfs/dbraw/zinc/53/61/69/779536169.db2.gz MBVUFJVIRWNYQN-SFHVURJKSA-N 0 1 298.430 2.665 20 30 CFEDMN C=CCN1CC(C)(C)CC[C@@H]1CNC(=O)c1occc1C ZINC001089609173 779543395 /nfs/dbraw/zinc/54/33/95/779543395.db2.gz HLLDKFGGNLGLKU-CQSZACIVSA-N 0 1 290.407 2.994 20 30 CFEDMN CC#CCN1CC(C)(C)CC[C@H]1CNC(=O)C1CC(C)C1 ZINC001089626272 779546894 /nfs/dbraw/zinc/54/68/94/779546894.db2.gz DPBNKMRIOJSNCK-GPANFISMSA-N 0 1 290.451 2.663 20 30 CFEDMN C#CCN1CC(C)(C)CC[C@@H]1CNC(=O)[C@@H]1C[C@H]1CCC ZINC001089691436 779568164 /nfs/dbraw/zinc/56/81/64/779568164.db2.gz PQYQCBPCUARCBM-BZUAXINKSA-N 0 1 290.451 2.663 20 30 CFEDMN CCCCCCCNC(=S)N1C[C@@H](C)N[C@@H](C)C1 ZINC001239461891 779577651 /nfs/dbraw/zinc/57/76/51/779577651.db2.gz UTUKJXUUXJTEQH-BETUJISGSA-N 0 1 271.474 2.514 20 30 CFEDMN C=C(C)CN1CC(CNC(=O)c2oc(C(F)F)cc2C)C1 ZINC001031746808 779583623 /nfs/dbraw/zinc/58/36/23/779583623.db2.gz JXUWQNQFIFEUDP-UHFFFAOYSA-N 0 1 298.333 2.763 20 30 CFEDMN C=CCN1CC(CNC(=O)c2cc(C3CC3)[nH]c2C2CC2)C1 ZINC001031767691 779598529 /nfs/dbraw/zinc/59/85/29/779598529.db2.gz LOJAUXWIAZUULI-UHFFFAOYSA-N 0 1 299.418 2.617 20 30 CFEDMN C=C(C)CN1CC(CNC(=O)[C@H]2C[C@]2(CC)C(C)C)C1 ZINC001032086338 779731787 /nfs/dbraw/zinc/73/17/87/779731787.db2.gz JFTZTNLGZZUZBF-NVXWUHKLSA-N 0 1 278.440 2.683 20 30 CFEDMN C=C(C)CN1CC(CNC(=O)c2ccc(Cl)s2)C1 ZINC001032170212 779752278 /nfs/dbraw/zinc/75/22/78/779752278.db2.gz QTQKODQRABNDJB-UHFFFAOYSA-N 0 1 284.812 2.639 20 30 CFEDMN C=CCN1CC(CNC(=O)c2oc3c(cccc3C)c2C)C1 ZINC001032207067 779764433 /nfs/dbraw/zinc/76/44/33/779764433.db2.gz ZRBHPQDFPUKIEB-UHFFFAOYSA-N 0 1 298.386 2.897 20 30 CFEDMN COc1ccc(-c2cc3[nH]cnc3c(C#N)n2)c(C)c1 ZINC001239824418 779802918 /nfs/dbraw/zinc/80/29/18/779802918.db2.gz MKMJTPSKKQEYRY-UHFFFAOYSA-N 0 1 264.288 2.814 20 30 CFEDMN C=C(Cl)CN1CC[C@@]2(CNC(=O)C3(C)CC3)CCC[C@@H]12 ZINC001107413372 779842633 /nfs/dbraw/zinc/84/26/33/779842633.db2.gz CQDYCAVMLGVEAM-CZUORRHYSA-N 0 1 296.842 2.900 20 30 CFEDMN C=CCCC[N@H+]1CCO[C@](C)(CNC(=O)[C@@H](C)CCC)C1 ZINC001107823206 779904905 /nfs/dbraw/zinc/90/49/05/779904905.db2.gz LCYWDGHLXKHLKP-DOTOQJQBSA-N 0 1 296.455 2.596 20 30 CFEDMN C=CCCCN1CCO[C@](C)(CNC(=O)[C@@H](C)CCC)C1 ZINC001107823206 779904908 /nfs/dbraw/zinc/90/49/08/779904908.db2.gz LCYWDGHLXKHLKP-DOTOQJQBSA-N 0 1 296.455 2.596 20 30 CFEDMN C=CCCN1C[C@@H]2C[C@H]1CN2C(=O)c1cc(C)cs1 ZINC001032391593 779921160 /nfs/dbraw/zinc/92/11/60/779921160.db2.gz DQRIGJLCQNXXGY-STQMWFEESA-N 0 1 276.405 2.531 20 30 CFEDMN N#Cc1c[nH]c2ccnc(-c3cnn(C4CCOCC4)c3)c12 ZINC001240072522 779933425 /nfs/dbraw/zinc/93/34/25/779933425.db2.gz FRJVHQAZJSIWPG-UHFFFAOYSA-N 0 1 293.330 2.650 20 30 CFEDMN C=C(Cl)C(C)(C)C(=O)N1C[C@@H]2C[C@H]1C[N@H+]2CCC1CC1 ZINC001032423165 779951719 /nfs/dbraw/zinc/95/17/19/779951719.db2.gz YGGQDPTXTABYQD-KBPBESRZSA-N 0 1 296.842 2.850 20 30 CFEDMN C=CCC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1csc(C)c1C ZINC001032421770 779951783 /nfs/dbraw/zinc/95/17/83/779951783.db2.gz CKIYIFTYGNGSDS-KBPBESRZSA-N 0 1 290.432 2.840 20 30 CFEDMN C=CCCN1C[C@@H]2C[C@H]1CN2C(=O)c1csc(C)c1C ZINC001032421770 779951787 /nfs/dbraw/zinc/95/17/87/779951787.db2.gz CKIYIFTYGNGSDS-KBPBESRZSA-N 0 1 290.432 2.840 20 30 CFEDMN CN1CCN(c2cccc(-c3ccc(C#N)c(F)c3)n2)CC1 ZINC001240144590 779965089 /nfs/dbraw/zinc/96/50/89/779965089.db2.gz VYBUSXYNUGJAMQ-UHFFFAOYSA-N 0 1 296.349 2.511 20 30 CFEDMN C=CC(C)(C)C(=O)N1C[C@@H]2C[C@H]1CN2CC1=CCCCC1 ZINC001032563445 780037869 /nfs/dbraw/zinc/03/78/69/780037869.db2.gz WWAQNNKOEJTPCF-HOTGVXAUSA-N 0 1 288.435 2.984 20 30 CFEDMN C=C(C)C[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)CCc1ccccc1C ZINC001032647596 780114823 /nfs/dbraw/zinc/11/48/23/780114823.db2.gz DBOCSDZTOLCPPH-ROUUACIJSA-N 0 1 298.430 2.789 20 30 CFEDMN C=C(C)CN1C[C@@H]2C[C@H]1CN2C(=O)CCc1ccccc1C ZINC001032647596 780114827 /nfs/dbraw/zinc/11/48/27/780114827.db2.gz DBOCSDZTOLCPPH-ROUUACIJSA-N 0 1 298.430 2.789 20 30 CFEDMN C=CCCN1C[C@@H]2C[C@H]1CN2C(=O)[C@H](F)c1ccccc1 ZINC001032653370 780117445 /nfs/dbraw/zinc/11/74/45/780117445.db2.gz SPINRYTUMCAYNK-HRCADAONSA-N 0 1 288.366 2.558 20 30 CFEDMN C=C(C)CN1C[C@@H]2C[C@H]1CN2C(=O)[C@@H]1C[C@H]1c1ccccc1 ZINC001032742245 780165651 /nfs/dbraw/zinc/16/56/51/780165651.db2.gz HLFLFLPTHFXDOP-XLAORIBOSA-N 0 1 296.414 2.651 20 30 CFEDMN C=CCCN1C[C@@H]2C[C@H]1CN2C(=O)c1ccc(C(F)F)o1 ZINC001032757121 780185069 /nfs/dbraw/zinc/18/50/69/780185069.db2.gz FQJMRDZKQWNPDB-QWRGUYRKSA-N 0 1 296.317 2.692 20 30 CFEDMN N#Cc1c[nH]c2ccnc(-c3ccc(N)cc3F)c12 ZINC001240525656 780232388 /nfs/dbraw/zinc/23/23/88/780232388.db2.gz ZPONKDZZFVDFHN-UHFFFAOYSA-N 0 1 252.252 2.823 20 30 CFEDMN CC(N=Nc1cc(Cl)ccn1)c1ccc(N)nc1 ZINC000814898017 780297986 /nfs/dbraw/zinc/29/79/86/780297986.db2.gz IVBQJJRGAQQKCV-UHFFFAOYSA-N 0 1 261.716 2.548 20 30 CFEDMN N#Cc1nc(-c2ccc3c(c2)CCCO3)cc2[nH]cnc21 ZINC001240774040 780431574 /nfs/dbraw/zinc/43/15/74/780431574.db2.gz OTNMDGBRUUAWPS-UHFFFAOYSA-N 0 1 276.299 2.822 20 30 CFEDMN CN1CCN(c2ccc(-c3cc(CC#N)ccn3)cc2)CC1 ZINC001240848806 780474277 /nfs/dbraw/zinc/47/42/77/780474277.db2.gz GGHUEMDLRUVTDP-UHFFFAOYSA-N 0 1 292.386 2.566 20 30 CFEDMN CN1CCN(c2ccc(-c3cccc(/C=N/O)c3)cc2)CC1 ZINC001240854721 780479160 /nfs/dbraw/zinc/47/91/60/780479160.db2.gz HOOFAJQSDQTKHZ-XMHGGMMESA-N 0 1 295.386 2.914 20 30 CFEDMN C=C(C)CN1CC[C@H](N(C)C(=O)c2ccoc2CC)C1 ZINC001033044336 780541368 /nfs/dbraw/zinc/54/13/68/780541368.db2.gz WNNWUEGAPKCLFV-ZDUSSCGKSA-N 0 1 276.380 2.564 20 30 CFEDMN C=CCN1CC[C@@H](N(C)C(=O)c2cscc2Cl)C1 ZINC001033168864 780590301 /nfs/dbraw/zinc/59/03/01/780590301.db2.gz GQLBMCXUYVOXQG-SNVBAGLBSA-N 0 1 284.812 2.734 20 30 CFEDMN C=CCN1CC[C@H](N(C)C(=O)Cc2cc3ccccc3o2)C1 ZINC001033315634 780647692 /nfs/dbraw/zinc/64/76/92/780647692.db2.gz OAVNWYZGIGBKGL-HNNXBMFYSA-N 0 1 298.386 2.694 20 30 CFEDMN C=CCN1CC[C@H](N(C)C(=O)c2c(C)cc(F)cc2C)C1 ZINC001033320472 780650963 /nfs/dbraw/zinc/65/09/63/780650963.db2.gz JWZPUSCBQLIQSK-HNNXBMFYSA-N 0 1 290.382 2.775 20 30 CFEDMN C=CC[N@@H+]1CC[C@H](N(C)C(=O)c2cccc3cc[nH]c32)C1 ZINC001033441390 780682387 /nfs/dbraw/zinc/68/23/87/780682387.db2.gz YYXXTVKJOQPQMC-AWEZNQCLSA-N 0 1 283.375 2.500 20 30 CFEDMN C=CCN1CC[C@H](N(C)C(=O)c2cccc3cc[nH]c32)C1 ZINC001033441390 780682391 /nfs/dbraw/zinc/68/23/91/780682391.db2.gz YYXXTVKJOQPQMC-AWEZNQCLSA-N 0 1 283.375 2.500 20 30 CFEDMN C=CCN1CC[C@H](N(C)C(=O)c2ccsc2Cl)C1 ZINC001033468242 780690826 /nfs/dbraw/zinc/69/08/26/780690826.db2.gz VYHTYNLKNLFELO-JTQLQIEISA-N 0 1 284.812 2.734 20 30 CFEDMN CC#CCN1CC[C@@H](N(C)C(=O)[C@@H](C)c2cccc(C)c2)C1 ZINC001033464644 780690876 /nfs/dbraw/zinc/69/08/76/780690876.db2.gz AYIYKEPUTHDXNL-FUHWJXTLSA-N 0 1 298.430 2.655 20 30 CFEDMN CC#CCN1CC[C@@H](N(C)C(=O)[C@H](C)c2cccc(C)c2)C1 ZINC001033464645 780690927 /nfs/dbraw/zinc/69/09/27/780690927.db2.gz AYIYKEPUTHDXNL-SJLPKXTDSA-N 0 1 298.430 2.655 20 30 CFEDMN C=CCN1CC[C@H](N(C)C(=O)c2ccc3c(c2)C=CCC3)C1 ZINC001033499352 780699081 /nfs/dbraw/zinc/69/90/81/780699081.db2.gz IHCSLDGPPGAVGM-SFHVURJKSA-N 0 1 296.414 2.978 20 30 CFEDMN C=CCN1CC[C@H](N(C)C(=O)c2csc(C(C)C)n2)C1 ZINC001033511764 780699253 /nfs/dbraw/zinc/69/92/53/780699253.db2.gz CLELMFVWAUFUGJ-LBPRGKRZSA-N 0 1 293.436 2.599 20 30 CFEDMN C=CCN1CC[C@@H](N(C)C(=O)c2cccc3ccncc32)C1 ZINC001033547819 780711703 /nfs/dbraw/zinc/71/17/03/780711703.db2.gz LHANDORUEKCXEU-OAHLLOKOSA-N 0 1 295.386 2.567 20 30 CFEDMN C=CCN1CC[C@H](N(C)C(=O)c2ccc3cnccc3c2)C1 ZINC001033563069 780714837 /nfs/dbraw/zinc/71/48/37/780714837.db2.gz RZFHIUMZKNSKTR-KRWDZBQOSA-N 0 1 295.386 2.567 20 30 CFEDMN C#CCN1CC[C@@H](N(C)C(=O)C[C@H]2CCCC(C)(C)C2)C1 ZINC001033594248 780721902 /nfs/dbraw/zinc/72/19/02/780721902.db2.gz LWDUUPFZAIORDG-HZPDHXFCSA-N 0 1 290.451 2.759 20 30 CFEDMN CC#CCN1CC[C@@H](N(C)C(=O)c2ccccc2Cl)C1 ZINC001033604132 780727051 /nfs/dbraw/zinc/72/70/51/780727051.db2.gz BJFBDPMBMSSQCK-CYBMUJFWSA-N 0 1 290.794 2.510 20 30 CFEDMN C=CCN1CC[C@@H](N(C)C(=O)[C@H](C)c2ccccc2C)C1 ZINC001033682346 780749386 /nfs/dbraw/zinc/74/93/86/780749386.db2.gz BTTMLMSQUQAOAO-HZPDHXFCSA-N 0 1 286.419 2.817 20 30 CFEDMN C=CCN1CC[C@@H](N(C)C(=O)c2cccc3c2CCC3)C1 ZINC001033703100 780755795 /nfs/dbraw/zinc/75/57/95/780755795.db2.gz YCMIXRXIXHEOBI-OAHLLOKOSA-N 0 1 284.403 2.508 20 30 CFEDMN C=CCN1CC[C@@H](N(CC)C(=O)c2ccccc2F)C1 ZINC001033732267 780767472 /nfs/dbraw/zinc/76/74/72/780767472.db2.gz JHGHAFMCSIYYEP-CYBMUJFWSA-N 0 1 276.355 2.548 20 30 CFEDMN C=CCN1CC[C@H](N(CC)C(=O)c2ccccc2F)C1 ZINC001033732268 780767825 /nfs/dbraw/zinc/76/78/25/780767825.db2.gz JHGHAFMCSIYYEP-ZDUSSCGKSA-N 0 1 276.355 2.548 20 30 CFEDMN C=C(C)CN1CC[C@H](N(CC)C(=O)c2scnc2C)C1 ZINC001033765980 780782772 /nfs/dbraw/zinc/78/27/72/780782772.db2.gz UAZOGSVFVVKGSH-ZDUSSCGKSA-N 0 1 293.436 2.564 20 30 CFEDMN C=CCN1CC[C@@H](N(CC)C(=O)c2cscc2C)C1 ZINC001033785342 780785728 /nfs/dbraw/zinc/78/57/28/780785728.db2.gz HXNHYPNUVSBEFT-CYBMUJFWSA-N 0 1 278.421 2.779 20 30 CFEDMN C=CCN1CC[C@H](N(CC)C(=O)c2ccoc2Cl)C1 ZINC001033810332 780794593 /nfs/dbraw/zinc/79/45/93/780794593.db2.gz SGLZTNQRXSRFBN-NSHDSACASA-N 0 1 282.771 2.655 20 30 CFEDMN C=CCN1CC[C@H](N(CC)C(=O)[C@@H]2CCC(F)(F)C2)C1 ZINC001033858401 780808838 /nfs/dbraw/zinc/80/88/38/780808838.db2.gz VUCIEBINCMCZQA-OLZOCXBDSA-N 0 1 286.366 2.531 20 30 CFEDMN C=CCN1CC[C@H](N(CC)C(=O)c2cc(C)cc(F)c2)C1 ZINC001033968361 780841974 /nfs/dbraw/zinc/84/19/74/780841974.db2.gz OXDQYVWGUCABTK-INIZCTEOSA-N 0 1 290.382 2.857 20 30 CFEDMN C=CCN1CC[C@@H](N(CC)C(=O)c2ccc3cc[nH]c3c2)C1 ZINC001033975011 780844914 /nfs/dbraw/zinc/84/49/14/780844914.db2.gz INANJNZHRWMABO-MRXNPFEDSA-N 0 1 297.402 2.890 20 30 CFEDMN C=CCN1CC[C@@H](N(CC)C(=O)c2ccc(F)cc2C)C1 ZINC001034028591 780858242 /nfs/dbraw/zinc/85/82/42/780858242.db2.gz HJMNLSQBJIQAJB-OAHLLOKOSA-N 0 1 290.382 2.857 20 30 CFEDMN CC#CCN1CC[C@H](N(CC)C(=O)c2ccc(C)cc2C)C1 ZINC001034029367 780859034 /nfs/dbraw/zinc/85/90/34/780859034.db2.gz OWEYKCSRZGODFI-KRWDZBQOSA-N 0 1 298.430 2.863 20 30 CFEDMN CC#CCN1CCCC[C@@H](NC(=O)c2ccccc2C)C1 ZINC001034092539 780888910 /nfs/dbraw/zinc/88/89/10/780888910.db2.gz RZZIPLCZLNUBQF-MRXNPFEDSA-N 0 1 284.403 2.603 20 30 CFEDMN CC#CCN1CCCC[C@H](NC(=O)c2ccc(Cl)o2)C1 ZINC001034104452 780892720 /nfs/dbraw/zinc/89/27/20/780892720.db2.gz JPSNZJZXHJYFKR-LBPRGKRZSA-N 0 1 294.782 2.541 20 30 CFEDMN CC#CCN1CCCC[C@H](NC(=O)C2C(C)(C)C2(C)C)C1 ZINC001034156222 780903658 /nfs/dbraw/zinc/90/36/58/780903658.db2.gz PSHCHSCGQZFIKV-AWEZNQCLSA-N 0 1 290.451 2.663 20 30 CFEDMN CC#CCN1CCCC[C@@H](NC(=O)CC2=CCCCC2)C1 ZINC001034133965 780903704 /nfs/dbraw/zinc/90/37/04/780903704.db2.gz XDXKXETXAYACQH-QGZVFWFLSA-N 0 1 288.435 2.871 20 30 CFEDMN CC#CCN1CCCC[C@@H](NC(=O)C(C)=C2CCCC2)C1 ZINC001034157074 780904513 /nfs/dbraw/zinc/90/45/13/780904513.db2.gz XPHSVKXDKXBKNS-QGZVFWFLSA-N 0 1 288.435 2.871 20 30 CFEDMN CC#CCN1CCCC[C@@H](NC(=O)c2cc(C)c(C)o2)C1 ZINC001034166423 780914389 /nfs/dbraw/zinc/91/43/89/780914389.db2.gz TYIFCSDHOFHZFQ-OAHLLOKOSA-N 0 1 288.391 2.504 20 30 CFEDMN CC#CCN1CCCC[C@H](NC(=O)c2ccoc2Cl)C1 ZINC001034188714 780918677 /nfs/dbraw/zinc/91/86/77/780918677.db2.gz WHVXZRZPUJTSEJ-LBPRGKRZSA-N 0 1 294.782 2.541 20 30 CFEDMN C#CCN1CCCC[C@@H](NC(=O)[C@@H]2C[C@H]2CC(C)(C)C)C1 ZINC001034214400 780924534 /nfs/dbraw/zinc/92/45/34/780924534.db2.gz LNYGHQYMOAFZHF-ARFHVFGLSA-N 0 1 290.451 2.663 20 30 CFEDMN C#CCN1CCCC[C@H](NC(=O)[C@H]2CCC=CCCC2)C1 ZINC001034266069 780935543 /nfs/dbraw/zinc/93/55/43/780935543.db2.gz NDEVPOQPUCIERU-IRXDYDNUSA-N 0 1 288.435 2.727 20 30 CFEDMN CC#CCN1CCCC[C@H](NC(=O)[C@@H]2C[C@H]2C(C)(C)C)C1 ZINC001034301582 780942072 /nfs/dbraw/zinc/94/20/72/780942072.db2.gz JMGDQVVANBHQIM-ARFHVFGLSA-N 0 1 290.451 2.663 20 30 CFEDMN C=C(C)C[N@H+]1CCCC[C@H](NC(=O)c2ccnc(C)c2)C1 ZINC001034452199 780977483 /nfs/dbraw/zinc/97/74/83/780977483.db2.gz BDENKOHXRFYGEH-INIZCTEOSA-N 0 1 287.407 2.550 20 30 CFEDMN C=CC[N@@H+]1CCCC[C@@H](NC(=O)c2cncc(Cl)c2)C1 ZINC001034452310 780978216 /nfs/dbraw/zinc/97/82/16/780978216.db2.gz LVRNNOSNLNGBGC-CQSZACIVSA-N 0 1 293.798 2.505 20 30 CFEDMN C=CCN1CCCC[C@@H](NC(=O)c2cncc(Cl)c2)C1 ZINC001034452310 780978219 /nfs/dbraw/zinc/97/82/19/780978219.db2.gz LVRNNOSNLNGBGC-CQSZACIVSA-N 0 1 293.798 2.505 20 30 CFEDMN CN1CCC=C(c2ncc3c(c2C#N)CCCC3)C1 ZINC001241569396 780984222 /nfs/dbraw/zinc/98/42/22/780984222.db2.gz XKXMTDSYCJWIEW-UHFFFAOYSA-N 0 1 253.349 2.551 20 30 CFEDMN CCNC(=O)c1ccc(-c2nccc3[nH]cc(C#N)c32)cc1 ZINC001241616052 781020008 /nfs/dbraw/zinc/02/00/08/781020008.db2.gz XHFYOQPVIRDAAW-UHFFFAOYSA-N 0 1 290.326 2.851 20 30 CFEDMN C=CCNC(=O)c1cccnc1-c1ccc2c(C)[nH]nc2c1 ZINC001241638829 781037126 /nfs/dbraw/zinc/03/71/26/781037126.db2.gz KILJMWTXIQLCEA-UHFFFAOYSA-N 0 1 292.342 2.849 20 30 CFEDMN C=C[C@@H](CC)CC(=O)NC[C@@]1(C)CN(CCCC)CCO1 ZINC001108151827 781052302 /nfs/dbraw/zinc/05/23/02/781052302.db2.gz UZDQSTIVJRULAG-RDJZCZTQSA-N 0 1 296.455 2.596 20 30 CFEDMN COc1cnc(-c2ccc3n[nH]c(C)c3c2)c(C#N)c1 ZINC001241666832 781059436 /nfs/dbraw/zinc/05/94/36/781059436.db2.gz NCOBJBHBWTUMGD-UHFFFAOYSA-N 0 1 264.288 2.814 20 30 CFEDMN CC(C)CC1(C(=O)NCCNCc2ccccc2C#N)CC1 ZINC001129062160 781110183 /nfs/dbraw/zinc/11/01/83/781110183.db2.gz WXURHHUAXOWJEV-UHFFFAOYSA-N 0 1 299.418 2.590 20 30 CFEDMN Cn1ccc2c1cccc2-c1cc2[nH]cnc2c(C#N)n1 ZINC001241819723 781142919 /nfs/dbraw/zinc/14/29/19/781142919.db2.gz SYOLMLCQCGZCOD-UHFFFAOYSA-N 0 1 273.299 2.988 20 30 CFEDMN CC#CCN1CC2(C1)CCN(C(=O)[C@@H](C)C(C)(C)C)CC2 ZINC001035734566 781162922 /nfs/dbraw/zinc/16/29/22/781162922.db2.gz VYWZVSYNDSIIPD-OAHLLOKOSA-N 0 1 290.451 2.616 20 30 CFEDMN C=CCN1CC2(C1)CCN(C(=O)[C@H]1CCC1(C)C)CC2 ZINC001035771044 781165917 /nfs/dbraw/zinc/16/59/17/781165917.db2.gz NTKVZBNRSATVHF-CQSZACIVSA-N 0 1 276.424 2.533 20 30 CFEDMN N#CC1(c2ccnc(-c3ccc4[nH]nnc4c3)c2)CC1 ZINC001241942068 781197790 /nfs/dbraw/zinc/19/77/90/781197790.db2.gz NOHAETGHVVARFV-UHFFFAOYSA-N 0 1 261.288 2.575 20 30 CFEDMN N#CC1(c2ccnc(-c3ccc4nn[nH]c4c3)c2)CC1 ZINC001241942068 781197791 /nfs/dbraw/zinc/19/77/91/781197791.db2.gz NOHAETGHVVARFV-UHFFFAOYSA-N 0 1 261.288 2.575 20 30 CFEDMN C#CCCC[NH2+]Cc1c([O-])cccc1Br ZINC000706829306 781205132 /nfs/dbraw/zinc/20/51/32/781205132.db2.gz VXVFQHRWWFIXJS-UHFFFAOYSA-N 0 1 268.154 2.658 20 30 CFEDMN N#Cc1nc(-c2ccc3c(c2)CCC3=O)cc2[nH]cnc21 ZINC001242154191 781305348 /nfs/dbraw/zinc/30/53/48/781305348.db2.gz QDZPGBPRXHKMCG-UHFFFAOYSA-N 0 1 274.283 2.625 20 30 CFEDMN CN(C)Cc1cc(-c2cccnc2C#N)ccc1F ZINC001242313166 781391027 /nfs/dbraw/zinc/39/10/27/781391027.db2.gz SZOPJLYMNLDVIY-UHFFFAOYSA-N 0 1 255.296 2.821 20 30 CFEDMN C=C(Cl)CN1CC[C@H]2CN(C(=O)CCC3CC3)CC[C@@H]21 ZINC001036670196 781391883 /nfs/dbraw/zinc/39/18/83/781391883.db2.gz PYBLNGPBDPEYON-GJZGRUSLSA-N 0 1 296.842 2.852 20 30 CFEDMN C=C(Cl)CN1CC[C@@H]2CN(C(=O)/C(C)=C\C)CC[C@@H]21 ZINC001036680905 781408495 /nfs/dbraw/zinc/40/84/95/781408495.db2.gz FESGGRLKKSSZHU-LALGJRCSSA-N 0 1 282.815 2.628 20 30 CFEDMN C=CCCCC(=O)NC[C@]1(C)CN(CCCC=C)CCO1 ZINC001108171203 781421716 /nfs/dbraw/zinc/42/17/16/781421716.db2.gz BXCZLEQEONXALL-QGZVFWFLSA-N 0 1 294.439 2.516 20 30 CFEDMN COC(=O)c1cc(-c2cccc(F)c2O)ccc1C#N ZINC001242352656 781427003 /nfs/dbraw/zinc/42/70/03/781427003.db2.gz MDUWVZYLDRNNPL-UHFFFAOYSA-N 0 1 271.247 2.857 20 30 CFEDMN COc1cc2[nH]cnc2cc1-c1cnc(C#N)c(C)c1 ZINC001242356213 781430432 /nfs/dbraw/zinc/43/04/32/781430432.db2.gz MLEOKNOVSXCJBC-UHFFFAOYSA-N 0 1 264.288 2.814 20 30 CFEDMN N#Cc1nc(-c2cccnc2C(F)(F)F)cc2[nH]cnc21 ZINC001242372079 781442678 /nfs/dbraw/zinc/44/26/78/781442678.db2.gz DPUCMHOPXOXLOQ-UHFFFAOYSA-N 0 1 289.220 2.910 20 30 CFEDMN COC(=O)c1nc2ccc(-c3cc(C)cc(C#N)c3)[nH]c-2n1 ZINC001242479626 781532673 /nfs/dbraw/zinc/53/26/73/781532673.db2.gz AVYJGTVIJQGCRE-UHFFFAOYSA-N 0 1 292.298 2.592 20 30 CFEDMN Cc1ccc(C#N)cc1-c1ccc(CN(C)C)cn1 ZINC001242541096 781580388 /nfs/dbraw/zinc/58/03/88/781580388.db2.gz SYWLANJXXKHCOU-UHFFFAOYSA-N 0 1 251.333 2.990 20 30 CFEDMN C=CCOc1cc(C)nc(-c2ccc(O)c(C#N)c2)n1 ZINC001242562470 781600105 /nfs/dbraw/zinc/60/01/05/781600105.db2.gz APSNYUFLTSFVJQ-UHFFFAOYSA-N 0 1 267.288 2.594 20 30 CFEDMN C#CCN1C[C@@H](C)[C@H](NC(=O)c2csc3ccccc23)C1 ZINC001080213850 781641337 /nfs/dbraw/zinc/64/13/37/781641337.db2.gz PPRBNDXQHNZACW-IUODEOHRSA-N 0 1 298.411 2.585 20 30 CFEDMN C=CCN1C[C@@H](C)[C@H](NC(=O)c2cccc(Cl)c2)C1 ZINC001080832098 781680605 /nfs/dbraw/zinc/68/06/05/781680605.db2.gz RQSNVLWFHRXUAX-BXUZGUMPSA-N 0 1 278.783 2.576 20 30 CFEDMN CC#CCN1C[C@@H](C)[C@H](NC(=O)c2c(C)cc(C)cc2C)C1 ZINC001080900252 781683865 /nfs/dbraw/zinc/68/38/65/781683865.db2.gz KBYMFAVNMXQXBC-IAGOWNOFSA-N 0 1 298.430 2.685 20 30 CFEDMN C=CCN1C[C@@H](C)[C@H](NC(=O)C23CCC(CC2)CC3)C1 ZINC001080978237 781686399 /nfs/dbraw/zinc/68/63/99/781686399.db2.gz SWDBGLIWLCJNFC-HCEZTOJASA-N 0 1 276.424 2.579 20 30 CFEDMN CC#CCN1C[C@@H](C)[C@H](NC(=O)[C@]2(C)CC=C(C)CC2)C1 ZINC001080984178 781689469 /nfs/dbraw/zinc/68/94/69/781689469.db2.gz KOTCYWHXMNKRAZ-JFIYKMOQSA-N 0 1 288.435 2.583 20 30 CFEDMN C=C(Cl)CN[C@@H]1CN(C(=O)C[C@@H]2C=CCC2)C[C@H]1C ZINC001082418855 781727167 /nfs/dbraw/zinc/72/71/67/781727167.db2.gz ZICRLYIZEZAGES-MRVWCRGKSA-N 0 1 282.815 2.532 20 30 CFEDMN COC(=O)c1nc2ccc(C3=CC(=O)C[C@H](C)C3)cc2[nH]1 ZINC001242740549 781733666 /nfs/dbraw/zinc/73/36/66/781733666.db2.gz CVEKSNUJOMVYBJ-SECBINFHSA-N 0 1 284.315 2.732 20 30 CFEDMN C=C(Cl)CN[C@@H]1CN(C(=O)[C@H](C)c2ccco2)C[C@H]1C ZINC001082736489 781740846 /nfs/dbraw/zinc/74/08/46/781740846.db2.gz LGYVWFHXJKKVJA-RAIGVLPGSA-N 0 1 296.798 2.572 20 30 CFEDMN C=C(C)CN1CC[C@@H]2CN(C(=O)c3sccc3C)[C@@H]2C1 ZINC001084157322 781773799 /nfs/dbraw/zinc/77/37/99/781773799.db2.gz RIIDWJKGXHGEHZ-ZIAGYGMSSA-N 0 1 290.432 2.779 20 30 CFEDMN C=C(C)CN1CC[C@@H]2CN(C(=O)C3(CC)CCC3)[C@@H]2C1 ZINC001084591345 781807561 /nfs/dbraw/zinc/80/75/61/781807561.db2.gz DOXZRDWOTJZQME-HUUCEWRRSA-N 0 1 276.424 2.676 20 30 CFEDMN C=C(C)C[N@@H+]1CC[C@@H]2CN(C(=O)[C@@H](C)c3ccccc3)[C@@H]2C1 ZINC001084780813 781835157 /nfs/dbraw/zinc/83/51/57/781835157.db2.gz VVYQFGRBOZJXFD-CGTJXYLNSA-N 0 1 298.430 2.899 20 30 CFEDMN C=CC[N@@H+]1CC[C@@H]2CN(C(=O)C3(C)C(C)(C)C3(C)C)[C@@H]2C1 ZINC001084871385 781850510 /nfs/dbraw/zinc/85/05/10/781850510.db2.gz HUQBOQDZIGMGCQ-ZIAGYGMSSA-N 0 1 290.451 2.777 20 30 CFEDMN C=CCN1CC[C@@H]2CN(C(=O)C3(C)C(C)(C)C3(C)C)[C@@H]2C1 ZINC001084871385 781850517 /nfs/dbraw/zinc/85/05/17/781850517.db2.gz HUQBOQDZIGMGCQ-ZIAGYGMSSA-N 0 1 290.451 2.777 20 30 CFEDMN Cc1cnn(C)c1CNC1(c2ccc(C#N)cc2)CCC1 ZINC000594517917 349439377 /nfs/dbraw/zinc/43/93/77/349439377.db2.gz DCJPWMYDYKECKT-UHFFFAOYSA-N 0 1 280.375 2.769 20 30 CFEDMN N#CCC[C@H](C#N)CNC[C@@H]1C[C@H](c2ccccc2)CO1 ZINC000594728485 349482039 /nfs/dbraw/zinc/48/20/39/349482039.db2.gz OOKKIVXTAROVBF-PVAVHDDUSA-N 0 1 283.375 2.592 20 30 CFEDMN N#Cc1ccc(CNCc2ccnn2CC2CC2)cc1F ZINC000594947528 349524271 /nfs/dbraw/zinc/52/42/71/349524271.db2.gz AQAIIEXUIKONKP-UHFFFAOYSA-N 0 1 284.338 2.594 20 30 CFEDMN N#CCc1ccc(CNCc2ccnn2CC2CC2)cc1 ZINC000594949491 349525063 /nfs/dbraw/zinc/52/50/63/349525063.db2.gz FAINMMDODQKNAO-UHFFFAOYSA-N 0 1 280.375 2.649 20 30 CFEDMN CC(C)c1nc(CNCc2ccc(C3(C#N)CC3)cc2)n[nH]1 ZINC000594960955 349531048 /nfs/dbraw/zinc/53/10/48/349531048.db2.gz UWASFOVOCOUAFR-UHFFFAOYSA-N 0 1 295.390 2.773 20 30 CFEDMN CN(C)c1ccncc1CNCC1(C#N)CCCCC1 ZINC000594981268 349538020 /nfs/dbraw/zinc/53/80/20/349538020.db2.gz MTFMUGOVONWHHI-UHFFFAOYSA-N 0 1 272.396 2.711 20 30 CFEDMN C[C@H](O)[C@@H](NCc1ccc(C#N)s1)c1ccccc1 ZINC000595009547 349548183 /nfs/dbraw/zinc/54/81/83/349548183.db2.gz YBCADKLVHVIKDO-XHDPSFHLSA-N 0 1 272.373 2.831 20 30 CFEDMN C=CCCOCCN[C@@H](C)c1ccc([N+](=O)[O-])cc1OC ZINC000595033780 349557440 /nfs/dbraw/zinc/55/74/40/349557440.db2.gz CUNKLWZAJOBMAH-LBPRGKRZSA-N 0 1 294.351 2.847 20 30 CFEDMN C[C@H](NCCO[C@@H]1CC1(F)F)c1ccc(C#N)cc1F ZINC000595067749 349573393 /nfs/dbraw/zinc/57/33/93/349573393.db2.gz HWPMTHVKAZTQME-TVQRCGJNSA-N 0 1 284.281 2.772 20 30 CFEDMN C=CCCSCCN[C@H](c1cccs1)c1nnc[nH]1 ZINC000595058329 349569609 /nfs/dbraw/zinc/56/96/09/349569609.db2.gz HSRYIZFSKZWINT-GFCCVEGCSA-N 0 1 294.449 2.855 20 30 CFEDMN Cc1nsc(N2CCN(CCC3CCC3)CC2)c1C#N ZINC000595495870 349642362 /nfs/dbraw/zinc/64/23/62/349642362.db2.gz UZDMDCMJCUNKDX-UHFFFAOYSA-N 0 1 290.436 2.635 20 30 CFEDMN CN(Cc1cc(C#N)ccc1F)[C@@H](CO)Cc1ccccc1 ZINC000595594522 349667980 /nfs/dbraw/zinc/66/79/80/349667980.db2.gz FPKVKVRRTDPCLZ-QGZVFWFLSA-N 0 1 298.361 2.733 20 30 CFEDMN C=C(C)c1cccc(NC(=O)NC[C@@H]2CCN2CC)c1 ZINC000934886400 649847686 /nfs/dbraw/zinc/84/76/86/649847686.db2.gz HZWVIJSYEROCJN-HNNXBMFYSA-N 0 1 273.380 2.935 20 30 CFEDMN CCC(C)(C)NC(=O)CNC(C)(C)c1cccc(C#N)c1 ZINC000595642736 349687819 /nfs/dbraw/zinc/68/78/19/349687819.db2.gz RTYPMKHALGODGH-UHFFFAOYSA-N 0 1 287.407 2.688 20 30 CFEDMN C[C@H](CO)[C@@H]1CCCCN1Cc1cc(F)ccc1C#N ZINC000595671986 349695981 /nfs/dbraw/zinc/69/59/81/349695981.db2.gz GYENMARJRVLGRX-WBMJQRKESA-N 0 1 276.355 2.680 20 30 CFEDMN CCC1(CC)CCCN(CC(=O)N[C@@](C)(C#N)C(C)C)C1 ZINC000595750980 349722833 /nfs/dbraw/zinc/72/28/33/349722833.db2.gz BKBJCSOKBDFKRZ-INIZCTEOSA-N 0 1 293.455 2.943 20 30 CFEDMN CCC1(CC)CCCN(CC(=O)N[C@@](C)(C#N)C2CC2)C1 ZINC000595753190 349723505 /nfs/dbraw/zinc/72/35/05/349723505.db2.gz RIDJOSYWXRTYMM-INIZCTEOSA-N 0 1 291.439 2.697 20 30 CFEDMN COc1ccc([C@H]2CCCN2CCOCCC#N)cc1F ZINC000595752599 349724498 /nfs/dbraw/zinc/72/44/98/349724498.db2.gz NIEOIAOKQULHGM-OAHLLOKOSA-N 0 1 292.354 2.901 20 30 CFEDMN CC[C@H](C(=O)N(C)C[C@@H](C)C#N)N(C)Cc1ccccc1 ZINC000352776438 529590251 /nfs/dbraw/zinc/59/02/51/529590251.db2.gz SLMNBKJWSJUFCI-GOEBONIOSA-N 0 1 287.407 2.515 20 30 CFEDMN N#Cc1ccc(CC[N@@H+]2[C@@H]3CCCC[C@@H]3C[C@H]2C(=O)[O-])cc1 ZINC000595876447 349759888 /nfs/dbraw/zinc/75/98/88/349759888.db2.gz DRBSHHROBCHOBL-ZACQAIPSSA-N 0 1 298.386 2.818 20 30 CFEDMN CCOC(=O)CC(C)(C)CCN1CC[C@@](C)(C#N)C1 ZINC000595841372 349751523 /nfs/dbraw/zinc/75/15/23/349751523.db2.gz LBPDYVQGDTVZDP-HNNXBMFYSA-N 0 1 266.385 2.591 20 30 CFEDMN C[C@]1(C#N)CCN(CCCCC2CCOCC2)C1 ZINC000595843781 349752825 /nfs/dbraw/zinc/75/28/25/349752825.db2.gz NLUYLOQTCATMNG-OAHLLOKOSA-N 0 1 250.386 2.819 20 30 CFEDMN COC(=O)[C@H]1C[C@@H](N(C)CC#Cc2cccc(Cl)c2)C1 ZINC000595847642 349754086 /nfs/dbraw/zinc/75/40/86/349754086.db2.gz ACGPUZOFDLCMSU-OTVXOJSOSA-N 0 1 291.778 2.575 20 30 CFEDMN N#CCC[C@@H](C#N)CNCCc1nsc2ccccc12 ZINC000596045546 349779869 /nfs/dbraw/zinc/77/98/69/349779869.db2.gz DZWQWYMPCZNDIG-LBPRGKRZSA-N 0 1 284.388 2.872 20 30 CFEDMN Cc1ccc(C#N)cc1NC(=O)[C@@H](C1CC1)N1CCCC1 ZINC000126524730 187245622 /nfs/dbraw/zinc/24/56/22/187245622.db2.gz HIEHEQTWVRUMBQ-MRXNPFEDSA-N 0 1 283.375 2.680 20 30 CFEDMN CSCC[C@@H](C)N(C)CC(=O)Nc1sccc1C#N ZINC000126518877 187245082 /nfs/dbraw/zinc/24/50/82/187245082.db2.gz KLGZGXFLZQHJID-SNVBAGLBSA-N 0 1 297.449 2.632 20 30 CFEDMN CO[C@@H](CNc1nc(C#N)c(Cl)s1)C(C)(C)C ZINC000596144430 349807079 /nfs/dbraw/zinc/80/70/79/349807079.db2.gz FXHCISJXGGYWOG-QMMMGPOBSA-N 0 1 273.789 2.563 20 30 CFEDMN CC#CC[C@@H](CC)Oc1nc(C)cc(O)c1[N+](=O)[O-] ZINC001231263534 781923937 /nfs/dbraw/zinc/92/39/37/781923937.db2.gz KRBVDTOJNKXAGQ-SNVBAGLBSA-N 0 1 264.281 2.575 20 30 CFEDMN Cc1cc(C(C#N)C(=O)[C@@H]2[C@H](C)[C@H]2C2CC2)nc(C)n1 ZINC000528920363 383677497 /nfs/dbraw/zinc/67/74/97/383677497.db2.gz UWYYJYAVLWXMGM-WNPSNZDDSA-N 0 1 269.348 2.562 20 30 CFEDMN CN(Cc1ccc(F)c(C#N)c1)C[C@H]1CCCCO1 ZINC000160978262 529986474 /nfs/dbraw/zinc/98/64/74/529986474.db2.gz SEWPOTMPJYTJMK-CQSZACIVSA-N 0 1 262.328 2.698 20 30 CFEDMN Cc1cc(C(=O)N2CCC[C@H]2[C@H](C#N)c2ccccc2)n[nH]1 ZINC000075297916 347065566 /nfs/dbraw/zinc/06/55/66/347065566.db2.gz NENLSPQCIOPCDH-ZBFHGGJFSA-N 0 1 294.358 2.630 20 30 CFEDMN N#Cc1ncccc1NC[C@@H]1CCN1Cc1ccccc1 ZINC000596556994 349940553 /nfs/dbraw/zinc/94/05/53/349940553.db2.gz DMWBMLFDKGSMKG-HNNXBMFYSA-N 0 1 278.359 2.640 20 30 CFEDMN C#CCCCN[C@H](C)c1nc(-c2ccccc2OC)no1 ZINC000273271956 192095340 /nfs/dbraw/zinc/09/53/40/192095340.db2.gz GNLISBGAXOQHSK-GFCCVEGCSA-N 0 1 285.347 2.809 20 30 CFEDMN CCC#C[C@H](C)N1CCc2c(cccc2NC(C)=O)C1 ZINC000677048330 539532932 /nfs/dbraw/zinc/53/29/32/539532932.db2.gz VXMBSEGSRYWXAP-ZDUSSCGKSA-N 0 1 270.376 2.805 20 30 CFEDMN Cc1ccc(C=Cc2n[nH]c(S[C@@H](C)C#N)n2)o1 ZINC000012840656 346231853 /nfs/dbraw/zinc/23/18/53/346231853.db2.gz ITPKOCVPHOVXOZ-CYNONHLPSA-N 0 1 260.322 2.881 20 30 CFEDMN C=CCN(Cc1ccccc1)C(=O)c1ccc2[nH]nnc2c1 ZINC000024499452 346255559 /nfs/dbraw/zinc/25/55/59/346255559.db2.gz WVACTDFEPNFNCL-UHFFFAOYSA-N 0 1 292.342 2.786 20 30 CFEDMN C=CC[C@@H]1CCC[N@H+](Cc2cnn(CC(F)F)c2)C1 ZINC000668494129 539535797 /nfs/dbraw/zinc/53/57/97/539535797.db2.gz WIRKJYXHTZWGHL-GFCCVEGCSA-N 0 1 269.339 2.936 20 30 CFEDMN CC1(C)Cc2n[nH]cc2CN(Cc2ccc(C#N)cc2)C1 ZINC000596596953 349951970 /nfs/dbraw/zinc/95/19/70/349951970.db2.gz HAZRYQIYFDXVEC-UHFFFAOYSA-N 0 1 280.375 2.866 20 30 CFEDMN Cc1ccc(C(=O)C(C#N)c2cc(C)nc(C)n2)s1 ZINC000041574334 346353336 /nfs/dbraw/zinc/35/33/36/346353336.db2.gz LGNCPPGSIUSRJB-LLVKDONJSA-N 0 1 271.345 2.953 20 30 CFEDMN CN(Cc1ccc(C#N)cc1)C(=O)c1cccc2n[nH]cc21 ZINC000042042408 346359277 /nfs/dbraw/zinc/35/92/77/346359277.db2.gz REFGDKOCIKQFAJ-UHFFFAOYSA-N 0 1 290.326 2.707 20 30 CFEDMN CN(C)[C@@H](CNC(=O)C1(C#N)CCCC1)c1ccsc1 ZINC000045495883 346410040 /nfs/dbraw/zinc/41/00/40/346410040.db2.gz MELFLDXQJISHJG-ZDUSSCGKSA-N 0 1 291.420 2.551 20 30 CFEDMN Cc1cc(CN2CCCN(c3ccccc3C#N)CC2)on1 ZINC000046087048 346419599 /nfs/dbraw/zinc/41/95/99/346419599.db2.gz NWNZUITYEMKPOQ-UHFFFAOYSA-N 0 1 296.374 2.567 20 30 CFEDMN C=C(C)CN(CC)CC(=O)N1CCCC[C@@H]1CC ZINC000052890373 346531219 /nfs/dbraw/zinc/53/12/19/346531219.db2.gz NEICMULQCWWJLJ-AWEZNQCLSA-N 0 1 252.402 2.676 20 30 CFEDMN CC(C)N(CC(=O)N1CCCCC1)Cc1ccc(C#N)cc1 ZINC000060208220 346660850 /nfs/dbraw/zinc/66/08/50/346660850.db2.gz CQROAXXHDLLNRI-UHFFFAOYSA-N 0 1 299.418 2.781 20 30 CFEDMN C=CCN(CC=C)C(=O)CN(C)C[C@H](C)c1ccccc1 ZINC000066854462 346782638 /nfs/dbraw/zinc/78/26/38/346782638.db2.gz GRZBYOMDBULOOZ-INIZCTEOSA-N 0 1 286.419 2.923 20 30 CFEDMN C#CCN1CCC(C(=O)N2CC[C@@H](C)c3ccccc32)CC1 ZINC000067203831 346794877 /nfs/dbraw/zinc/79/48/77/346794877.db2.gz IGGCGIYTDFYYGP-OAHLLOKOSA-N 0 1 296.414 2.872 20 30 CFEDMN COCC#CCN(C)[C@@H](C)c1ccc(F)c(F)c1 ZINC000677132840 539552801 /nfs/dbraw/zinc/55/28/01/539552801.db2.gz UMUXCRKGGYWECM-NSHDSACASA-N 0 1 253.292 2.607 20 30 CFEDMN CCN(CCc1ccccc1)C[C@@H](C#N)CCC#N ZINC000076512412 347141877 /nfs/dbraw/zinc/14/18/77/347141877.db2.gz XPLUBUYCVPPLRQ-MRXNPFEDSA-N 0 1 255.365 2.995 20 30 CFEDMN C[C@@H](CNc1cc(Cl)ccc1C#N)CN1CCOCC1 ZINC000077995538 347224378 /nfs/dbraw/zinc/22/43/78/347224378.db2.gz UZMPPHIHVYNNGQ-LBPRGKRZSA-N 0 1 293.798 2.592 20 30 CFEDMN C[C@H](CC#N)Sc1ccccc1NC(=O)[C@H](C)N(C)C ZINC000078736302 347273070 /nfs/dbraw/zinc/27/30/70/347273070.db2.gz PNAUXSFJTAGCNH-NEPJUHHUSA-N 0 1 291.420 2.969 20 30 CFEDMN CCN(CCC#N)CCCOCCc1ccccc1 ZINC000081514143 347423578 /nfs/dbraw/zinc/42/35/78/347423578.db2.gz FYRIXDHRZCNAMW-UHFFFAOYSA-N 0 1 260.381 2.871 20 30 CFEDMN C=CCCC[C@@H](C)N(C)CC(=O)Nc1cc(C)on1 ZINC000091508508 347591245 /nfs/dbraw/zinc/59/12/45/347591245.db2.gz ZZSYHGOTGVHDSN-LLVKDONJSA-N 0 1 265.357 2.598 20 30 CFEDMN Cc1ccnc(NC(=O)CN(C)CC(C)(C)CCC#N)c1 ZINC000092762206 347645540 /nfs/dbraw/zinc/64/55/40/347645540.db2.gz CGBWDWNVXCYCOB-UHFFFAOYSA-N 0 1 288.395 2.590 20 30 CFEDMN C=CCN(CC=C)C(=O)[C@@H](C)N[C@@H](C)c1ccc(C#N)cc1 ZINC000127597873 347842960 /nfs/dbraw/zinc/84/29/60/347842960.db2.gz FAZCJUHGMRKXEZ-LSDHHAIUSA-N 0 1 297.402 2.798 20 30 CFEDMN C[C@@H](NC(=O)c1[nH]nc2c1CCCC2)c1ccc(C#N)cc1 ZINC000128003697 347846666 /nfs/dbraw/zinc/84/66/66/347846666.db2.gz UJOAIYPVQILHTE-LLVKDONJSA-N 0 1 294.358 2.651 20 30 CFEDMN N#Cc1cccc(OCCSc2nc(C3CC3)n[nH]2)c1 ZINC000128121238 347847668 /nfs/dbraw/zinc/84/76/68/347847668.db2.gz XHSHFXCIQWNHQD-UHFFFAOYSA-N 0 1 286.360 2.725 20 30 CFEDMN N#Cc1cccc(OCCSc2n[nH]c(C3CC3)n2)c1 ZINC000128121238 347847671 /nfs/dbraw/zinc/84/76/71/347847671.db2.gz XHSHFXCIQWNHQD-UHFFFAOYSA-N 0 1 286.360 2.725 20 30 CFEDMN CCOCCCn1[nH]c(C(C)(C)C)c(CCC#N)c1=O ZINC000153487635 347973614 /nfs/dbraw/zinc/97/36/14/347973614.db2.gz KGSHVEWPDUWQLA-UHFFFAOYSA-N 0 1 279.384 2.769 20 30 CFEDMN N#CC1CCN(CCOC2CCCCCC2)CC1 ZINC000157676226 348001212 /nfs/dbraw/zinc/00/12/12/348001212.db2.gz LSSDUBIGAKDXBI-UHFFFAOYSA-N 0 1 250.386 2.961 20 30 CFEDMN C=CC[C@H](C(=O)N1CCN(C(C)C)CC1)c1ccccc1 ZINC000188121648 348131658 /nfs/dbraw/zinc/13/16/58/348131658.db2.gz QBTHNCILECFTNI-KRWDZBQOSA-N 0 1 286.419 2.899 20 30 CFEDMN N#CCCNCCc1cc(Br)ccc1F ZINC000258857736 348308061 /nfs/dbraw/zinc/30/80/61/348308061.db2.gz FGKXYQRJNKVQKY-UHFFFAOYSA-N 0 1 271.133 2.634 20 30 CFEDMN C=C[C@@H](Sc1nc2ccc(OCC)cc2[nH]1)C(=O)OC ZINC000312437128 348418160 /nfs/dbraw/zinc/41/81/60/348418160.db2.gz PUEKBQANWUFHQF-GFCCVEGCSA-N 0 1 292.360 2.781 20 30 CFEDMN C[C@H](C#N)C(=O)Nc1ccc2nc(C3CCC3)[nH]c2c1 ZINC000334588864 348447263 /nfs/dbraw/zinc/44/72/63/348447263.db2.gz BUFXDWQSLITIHC-SECBINFHSA-N 0 1 268.320 2.929 20 30 CFEDMN Cc1cc(C[C@@H](C)Nc2cc(C)c([N+](=O)[O-])cc2C#N)[nH]n1 ZINC000413192954 233032646 /nfs/dbraw/zinc/03/26/46/233032646.db2.gz KCMSONBUFZPNLT-SNVBAGLBSA-N 0 1 299.334 2.850 20 30 CFEDMN C[C@](O)(CNC1CC(C#N)(c2ccccc2)C1)C(F)(F)F ZINC000364857440 348510535 /nfs/dbraw/zinc/51/05/35/348510535.db2.gz XRMBHZBMNFNRLV-MOKVOYLWSA-N 0 1 298.308 2.513 20 30 CFEDMN CC(C)O[C@H]1CCCN(Cc2ccccc2C#N)C1 ZINC000404671350 348593927 /nfs/dbraw/zinc/59/39/27/348593927.db2.gz BRGFKGYNGZUNGF-INIZCTEOSA-N 0 1 258.365 2.948 20 30 CFEDMN COc1cc(CN2CCC[C@H](CC#N)C2)ccc1C#N ZINC000397682374 348562929 /nfs/dbraw/zinc/56/29/29/348562929.db2.gz MICLQIPBMABPFW-CYBMUJFWSA-N 0 1 269.348 2.693 20 30 CFEDMN C=CCN(Cc1cccc([N+](=O)[O-])c1)C[C@@H](O)CCC ZINC000450298423 348620576 /nfs/dbraw/zinc/62/05/76/348620576.db2.gz MHUSRBLLAUHZFF-HNNXBMFYSA-N 0 1 278.352 2.744 20 30 CFEDMN N#CCCCCCC(=O)Nc1cccc(-c2cn[nH]n2)c1 ZINC000588676508 348791786 /nfs/dbraw/zinc/79/17/86/348791786.db2.gz YCCNBRBIGCHPCD-UHFFFAOYSA-N 0 1 283.335 2.884 20 30 CFEDMN C[NH+](C)Cc1ccc(NC(=O)c2cc([O-])cc(C#N)c2)cc1 ZINC000589168380 348815514 /nfs/dbraw/zinc/81/55/14/348815514.db2.gz AKURXLMIWFPQBS-UHFFFAOYSA-N 0 1 295.342 2.578 20 30 CFEDMN CCN(CC)Cc1ccc(C(=O)N[C@]2(C#N)CC2(C)C)o1 ZINC000589811606 348857860 /nfs/dbraw/zinc/85/78/60/348857860.db2.gz AQSHOFJKPIVNQD-INIZCTEOSA-N 0 1 289.379 2.543 20 30 CFEDMN N#CC1(CC(=O)Nc2cccc(Cl)c2O)CC1 ZINC000590317953 348893346 /nfs/dbraw/zinc/89/33/46/348893346.db2.gz KMOJMOKCXBEIAL-UHFFFAOYSA-N 0 1 250.685 2.678 20 30 CFEDMN N#C[C@@H]1CC[C@@H](N2CC(c3nc4ccccc4[nH]3)C2)C1 ZINC000590167682 348882376 /nfs/dbraw/zinc/88/23/76/348882376.db2.gz LTLHLTKPMFGCBW-DGCLKSJQSA-N 0 1 266.348 2.654 20 30 CFEDMN CC(C)[C@@H](C#N)N1CCN(C[C@H]2CCC(F)(F)C2)CC1 ZINC000590709304 348932379 /nfs/dbraw/zinc/93/23/79/348932379.db2.gz GXZDALANXXLRIP-UONOGXRCSA-N 0 1 285.382 2.588 20 30 CFEDMN CC(C)[C@H](C#N)N1CCN(C[C@@H]2CCC(F)(F)C2)CC1 ZINC000590709303 348932434 /nfs/dbraw/zinc/93/24/34/348932434.db2.gz GXZDALANXXLRIP-KGLIPLIRSA-N 0 1 285.382 2.588 20 30 CFEDMN C[C@H](c1ccccc1)[C@H](O)CN1CCC[C@](C)(C#N)C1 ZINC000590715590 348934892 /nfs/dbraw/zinc/93/48/92/348934892.db2.gz RZZRFUPJAVHBSE-DJIMGWMZSA-N 0 1 272.392 2.777 20 30 CFEDMN N#Cc1ccncc1N1CCN(CC2=CCCCC2)CC1 ZINC000590743776 348941283 /nfs/dbraw/zinc/94/12/83/348941283.db2.gz ZUVZXMMOJOAXDK-UHFFFAOYSA-N 0 1 282.391 2.576 20 30 CFEDMN N#Cc1cc(CN2CCC[C@]3(CCSC3)C2)ccn1 ZINC000590763909 348944690 /nfs/dbraw/zinc/94/46/90/348944690.db2.gz TWICXXGTLHLYRG-HNNXBMFYSA-N 0 1 273.405 2.672 20 30 CFEDMN N#Cc1cc(CN2CCC[C@@]3(CCSC3)C2)ccn1 ZINC000590763910 348944790 /nfs/dbraw/zinc/94/47/90/348944790.db2.gz TWICXXGTLHLYRG-OAHLLOKOSA-N 0 1 273.405 2.672 20 30 CFEDMN N#Cc1nc(NCC2(O)CCCCCC2)sc1Cl ZINC000590583692 348911575 /nfs/dbraw/zinc/91/15/75/348911575.db2.gz DESSJCDCLPRSMX-UHFFFAOYSA-N 0 1 285.800 2.587 20 30 CFEDMN C[C@@H](CCC#N)CN(C)Cc1nccn1C(F)F ZINC000590593113 348912310 /nfs/dbraw/zinc/91/23/10/348912310.db2.gz JZJDMVSBZPGMTK-JTQLQIEISA-N 0 1 256.300 2.650 20 30 CFEDMN CCN(CCC#N)C[C@@H]1CCCN(C(=O)C(C)(C)C)C1 ZINC000590602112 348913977 /nfs/dbraw/zinc/91/39/77/348913977.db2.gz FRWVEOQGBDUBMZ-AWEZNQCLSA-N 0 1 279.428 2.507 20 30 CFEDMN CO[C@@]1(C(F)(F)F)CCCN([C@H](C)CCC#N)C1 ZINC000591031532 348981199 /nfs/dbraw/zinc/98/11/99/348981199.db2.gz SBTNEWOXZPOYOE-MNOVXSKESA-N 0 1 264.291 2.722 20 30 CFEDMN CCN(CC)Cc1ccc(C(=O)NCC(C)(C)CC#N)o1 ZINC000590916074 348966470 /nfs/dbraw/zinc/96/64/70/348966470.db2.gz FEHGVILTHAZFHL-UHFFFAOYSA-N 0 1 291.395 2.791 20 30 CFEDMN C[C@H](c1ccc2c(c1)CCC2)N1CCN(CCC#N)CC1 ZINC000590954601 348971607 /nfs/dbraw/zinc/97/16/07/348971607.db2.gz WOGPCDSWJRKYGY-OAHLLOKOSA-N 0 1 283.419 2.768 20 30 CFEDMN CC(C)(C#N)CNC[C@@H](O)COc1cccc2ccccc21 ZINC000591759199 349041746 /nfs/dbraw/zinc/04/17/46/349041746.db2.gz GKFKKKQUYDHULK-OAHLLOKOSA-N 0 1 298.386 2.719 20 30 CFEDMN N#CCC[C@H](C#N)CN[C@@H](c1ccccc1)[C@H]1CCOC1 ZINC000591757642 349042127 /nfs/dbraw/zinc/04/21/27/349042127.db2.gz RVNLNWYGNRFLDZ-PVAVHDDUSA-N 0 1 283.375 2.797 20 30 CFEDMN CCc1ncc(CNCc2ccc(C#N)c(Cl)c2)cn1 ZINC000591260507 349004131 /nfs/dbraw/zinc/00/41/31/349004131.db2.gz QAIIIKSXJURDJG-UHFFFAOYSA-N 0 1 286.766 2.854 20 30 CFEDMN CN1Cc2ccccc2[C@@H](NCc2ccc(C#N)c(F)c2)C1 ZINC000591502220 349027486 /nfs/dbraw/zinc/02/74/86/349027486.db2.gz POKQVLXEOCLFSJ-SFHVURJKSA-N 0 1 295.361 2.974 20 30 CFEDMN N#Cc1cnccc1CN1CC[C@H](c2ccco2)C1 ZINC000592071033 349079957 /nfs/dbraw/zinc/07/99/57/349079957.db2.gz XRVYDJCBTKLZRJ-ZDUSSCGKSA-N 0 1 253.305 2.536 20 30 CFEDMN C=CCCCN1CCc2cccc(C(=O)OC)c2C1 ZINC000592158062 349093805 /nfs/dbraw/zinc/09/38/05/349093805.db2.gz CCPSKSQWZWNUMW-UHFFFAOYSA-N 0 1 259.349 2.798 20 30 CFEDMN N#Cc1ccc(/C=C\c2nc([C@@H]3CCCN3)no2)cc1 ZINC000592357128 349108134 /nfs/dbraw/zinc/10/81/34/349108134.db2.gz QLSATMNBKDNOEC-WSROAFLRSA-N 0 1 266.304 2.536 20 30 CFEDMN N#CC[C@H](Cc1nc([C@@H]2CCCN2)no1)c1ccccc1 ZINC000592356189 349108159 /nfs/dbraw/zinc/10/81/59/349108159.db2.gz GLTNUVORKCFRBM-KGLIPLIRSA-N 0 1 282.347 2.734 20 30 CFEDMN COc1ccccc1C1(N[C@H]2CC[C@H](C#N)C2)CC1 ZINC000592394693 349114206 /nfs/dbraw/zinc/11/42/06/349114206.db2.gz RBOAAFPWMRRBDS-STQMWFEESA-N 0 1 256.349 2.966 20 30 CFEDMN Cc1cc(C)n2c(CN3CCC(CCC#N)CC3)cnc2n1 ZINC000592517271 349130231 /nfs/dbraw/zinc/13/02/31/349130231.db2.gz PRKBFILUZHKZAM-UHFFFAOYSA-N 0 1 297.406 2.862 20 30 CFEDMN CC[C@H](CC1CCCC1)C(=O)N=c1[nH]n(C)c(C)c1C#N ZINC000592648046 349145718 /nfs/dbraw/zinc/14/57/18/349145718.db2.gz YOKPUJIZKCWLPJ-CYBMUJFWSA-N 0 1 288.395 2.567 20 30 CFEDMN N#Cc1ccc(CN2CC[C@@]3(CC3(F)F)C2)c(F)c1 ZINC000593114947 349212009 /nfs/dbraw/zinc/21/20/09/349212009.db2.gz HDWNFKGRQOSHMT-CYBMUJFWSA-N 0 1 266.266 2.928 20 30 CFEDMN COc1ccc(CN2CC[C@@]3(CC3(F)F)C2)cc1C#N ZINC000593118812 349214423 /nfs/dbraw/zinc/21/44/23/349214423.db2.gz SLDXMHKXUZSRNO-CQSZACIVSA-N 0 1 278.302 2.798 20 30 CFEDMN COc1cc(C#N)ccc1CN1CC[C@@]2(CC2(F)F)C1 ZINC000593119407 349215223 /nfs/dbraw/zinc/21/52/23/349215223.db2.gz XYSAHBICQKGBLX-CQSZACIVSA-N 0 1 278.302 2.798 20 30 CFEDMN C[C@@H](CO)C1CCN(Cc2cc(C#N)ccc2F)CC1 ZINC000593084960 349204923 /nfs/dbraw/zinc/20/49/23/349204923.db2.gz SLHACFQHPMWTNW-LBPRGKRZSA-N 0 1 276.355 2.538 20 30 CFEDMN CC[C@@H](C#N)C(=O)NC[C@H](c1ccc(Cl)cc1)N(C)C ZINC000593501462 349285673 /nfs/dbraw/zinc/28/56/73/349285673.db2.gz ZTZHOPMQCZURQY-SMDDNHRTSA-N 0 1 293.798 2.609 20 30 CFEDMN Cc1n[nH]c(C(C)C)c1C(=O)N1Cc2cccc(C#N)c2C1 ZINC000593888565 349332751 /nfs/dbraw/zinc/33/27/51/349332751.db2.gz QMWSSMBXYXUJIQ-UHFFFAOYSA-N 0 1 294.358 2.869 20 30 CFEDMN N#Cc1ccc(CN2CCC[C@@H]2c2ccc(O)cc2)nc1 ZINC000593961921 349340934 /nfs/dbraw/zinc/34/09/34/349340934.db2.gz PXJXHNSIKVDSTD-QGZVFWFLSA-N 0 1 279.343 2.996 20 30 CFEDMN N#C[C@H]1CCC[C@H]1NCCc1noc2ccccc12 ZINC000593994859 349348505 /nfs/dbraw/zinc/34/85/05/349348505.db2.gz KJUZWWLCEXIZPJ-DGCLKSJQSA-N 0 1 255.321 2.652 20 30 CFEDMN N#C[C@H]1CCC[C@@H]1NCCc1noc2ccccc12 ZINC000593994861 349348569 /nfs/dbraw/zinc/34/85/69/349348569.db2.gz KJUZWWLCEXIZPJ-YPMHNXCESA-N 0 1 255.321 2.652 20 30 CFEDMN C=CCCn1cc(CN[C@H]2CCC[C@H]2SCC)nn1 ZINC000593997645 349349211 /nfs/dbraw/zinc/34/92/11/349349211.db2.gz VZWDHCAKQPARTF-UONOGXRCSA-N 0 1 280.441 2.618 20 30 CFEDMN N#CC1(CNCc2[nH]nc3ccccc32)CCCC1 ZINC000593652626 349304063 /nfs/dbraw/zinc/30/40/63/349304063.db2.gz FECZVYGOUGBKAL-UHFFFAOYSA-N 0 1 254.337 2.736 20 30 CFEDMN CCN(Cc1ccc(C#N)s1)[C@H]1CCCOC1 ZINC000593674104 349307496 /nfs/dbraw/zinc/30/74/96/349307496.db2.gz NRRYDAFCLGEOBT-NSHDSACASA-N 0 1 250.367 2.621 20 30 CFEDMN CCOC1CC(CN2Cc3ccc(C#N)cc3C2)C1 ZINC000594028082 349356374 /nfs/dbraw/zinc/35/63/74/349356374.db2.gz CGLRLFANGPOXPM-UHFFFAOYSA-N 0 1 256.349 2.689 20 30 CFEDMN N#CC1(CNC(=O)c2ccc(O)c(Cl)c2)CCCC1 ZINC000593780350 349324970 /nfs/dbraw/zinc/32/49/70/349324970.db2.gz XQLJVTIBYZVAKO-UHFFFAOYSA-N 0 1 278.739 2.859 20 30 CFEDMN Cc1n[nH]cc1CNCc1ccc(C(C)(C)C#N)cc1 ZINC000594495084 349430213 /nfs/dbraw/zinc/43/02/13/349430213.db2.gz NZTYSRPYPUJKOU-UHFFFAOYSA-N 0 1 268.364 2.809 20 30 CFEDMN C[C@@H]1CN(Cc2ccc(C3(C#N)CC3)cc2)[C@H](C)CO1 ZINC000596983536 350012442 /nfs/dbraw/zinc/01/24/42/350012442.db2.gz AUJHULHOMVTVFZ-ZIAGYGMSSA-N 0 1 270.376 2.851 20 30 CFEDMN CCCCCN(CC(N)=O)Cc1ccc(C2(C#N)CC2)cc1 ZINC000597080337 350025726 /nfs/dbraw/zinc/02/57/26/350025726.db2.gz FTUFKUWUUMWFJR-UHFFFAOYSA-N 0 1 299.418 2.719 20 30 CFEDMN CC[C@H](C)c1nc([C@@H](C)NC(=O)CCCCC#N)n[nH]1 ZINC000594345585 349409858 /nfs/dbraw/zinc/40/98/58/349409858.db2.gz WHAHUKQWEAFRBF-WDEREUQCSA-N 0 1 277.372 2.579 20 30 CFEDMN N#CC[C@@H]1CCCN(Cc2cccc3c2OCCCO3)C1 ZINC000597172823 350043337 /nfs/dbraw/zinc/04/33/37/350043337.db2.gz FTHRWQVCYAOWTA-AWEZNQCLSA-N 0 1 286.375 2.974 20 30 CFEDMN CN(C)C(=O)c1ccccc1CN1CCC[C@H](CC#N)C1 ZINC000597176120 350044114 /nfs/dbraw/zinc/04/41/14/350044114.db2.gz FQMMUMPXPDSTDA-CQSZACIVSA-N 0 1 285.391 2.514 20 30 CFEDMN CCc1nn(C)c(CC)c1CN1CCC[C@@H](CC#N)C1 ZINC000597176159 350044144 /nfs/dbraw/zinc/04/41/44/350044144.db2.gz GAGGTVVVDZWCGT-ZDUSSCGKSA-N 0 1 274.412 2.671 20 30 CFEDMN COc1ccc(CN2CCC[C@H](CC#N)C2)c(OC)c1 ZINC000597174575 350044372 /nfs/dbraw/zinc/04/43/72/350044372.db2.gz RHJOIZAFHBBIJY-CYBMUJFWSA-N 0 1 274.364 2.829 20 30 CFEDMN Cc1cccc2ncc(CN3CCC[C@H](CC#N)C3)n21 ZINC000597175267 350044550 /nfs/dbraw/zinc/04/45/50/350044550.db2.gz XKCYHBRKCAQHHQ-CQSZACIVSA-N 0 1 268.364 2.768 20 30 CFEDMN CCCCCc1cc(C(=O)N2CCC(CC#N)CC2)n[nH]1 ZINC000597497597 350104586 /nfs/dbraw/zinc/10/45/86/350104586.db2.gz KDGHOHGSUSDSJP-UHFFFAOYSA-N 0 1 288.395 2.908 20 30 CFEDMN C[C@@H](CC#N)C(=O)Nc1cccc2c1OCC[C@H]2N(C)C ZINC000597581803 350113336 /nfs/dbraw/zinc/11/33/36/350113336.db2.gz OZFJQXSBWYWMKE-SMDDNHRTSA-N 0 1 287.363 2.560 20 30 CFEDMN CCCCCc1cc(C(=O)N(C[C@H](C)C#N)C2CC2)n[nH]1 ZINC000597438666 350097532 /nfs/dbraw/zinc/09/75/32/350097532.db2.gz QRZULDRNNOUBFM-GFCCVEGCSA-N 0 1 288.395 2.907 20 30 CFEDMN CCN(C)[C@H](C(=O)N1CCC[C@@H](CC#N)C1)c1ccccc1 ZINC000597913973 350156718 /nfs/dbraw/zinc/15/67/18/350156718.db2.gz SKHJQRZKPIJVFE-RDJZCZTQSA-N 0 1 299.418 2.832 20 30 CFEDMN CCC[C@@H](C(=O)Nc1cc(C#N)ccc1C)N(C)C ZINC000271289414 191053996 /nfs/dbraw/zinc/05/39/96/191053996.db2.gz PCUOELXAYGIPJN-AWEZNQCLSA-N 0 1 259.353 2.536 20 30 CFEDMN C[C@H](C#N)N(C(=O)c1ccc(O)c(Cl)c1)C1CC1 ZINC000598125113 350201672 /nfs/dbraw/zinc/20/16/72/350201672.db2.gz GXNNTAGNYJBBSE-MRVPVSSYSA-N 0 1 264.712 2.562 20 30 CFEDMN C[C@@H](C#N)N(C(=O)c1ccc(O)c(Cl)c1)C1CC1 ZINC000598125114 350201687 /nfs/dbraw/zinc/20/16/87/350201687.db2.gz GXNNTAGNYJBBSE-QMMMGPOBSA-N 0 1 264.712 2.562 20 30 CFEDMN C=CCN(Cc1ccc(OC)c([N+](=O)[O-])c1)C1CC1 ZINC000271340813 191084456 /nfs/dbraw/zinc/08/44/56/191084456.db2.gz CALLVCVBTYQCGC-UHFFFAOYSA-N 0 1 262.309 2.754 20 30 CFEDMN C[C@]1(C#N)CCN(C(=O)c2cc(-c3cccs3)[nH]n2)C1 ZINC000598410212 350260614 /nfs/dbraw/zinc/26/06/14/350260614.db2.gz FIXLREHCYGFKTL-CQSZACIVSA-N 0 1 286.360 2.514 20 30 CFEDMN CC1(C)CC[C@H](CO)N(Cc2cc(C#N)ccc2F)C1 ZINC000598649339 350302145 /nfs/dbraw/zinc/30/21/45/350302145.db2.gz UIOACKAIFGJBAM-CQSZACIVSA-N 0 1 276.355 2.680 20 30 CFEDMN CC(C)(C#N)C[C@H](O)CNCc1c(F)cccc1Cl ZINC000598713780 350316149 /nfs/dbraw/zinc/31/61/49/350316149.db2.gz CVSBFOSHWUPIGR-JTQLQIEISA-N 0 1 284.762 2.869 20 30 CFEDMN CC(C)(C)CN(CCC#N)C[C@H](O)CC(C)(C)C#N ZINC000598592539 350288006 /nfs/dbraw/zinc/28/80/06/350288006.db2.gz LVMXPXVGDKIWJZ-CYBMUJFWSA-N 0 1 265.401 2.549 20 30 CFEDMN CC[C@](C)(NC[C@H](O)CC(C)(C)C#N)c1nccs1 ZINC000598594874 350289180 /nfs/dbraw/zinc/28/91/80/350289180.db2.gz FTZJCDVHDFMWRE-RISCZKNCSA-N 0 1 281.425 2.659 20 30 CFEDMN Cc1cnc(C(C)(C)NC[C@@H](O)CC(C)(C)C#N)s1 ZINC000598612994 350293991 /nfs/dbraw/zinc/29/39/91/350293991.db2.gz UKXMBMAYIUGQCR-NSHDSACASA-N 0 1 281.425 2.577 20 30 CFEDMN N#CC1(C(=O)Nc2nc3cc(Cl)c(F)cc3[nH]2)CCC1 ZINC000598782441 350329179 /nfs/dbraw/zinc/32/91/79/350329179.db2.gz WMBSGPFHMCITAK-UHFFFAOYSA-N 0 1 292.701 2.988 20 30 CFEDMN COCC#CCN1C[C@H](C)C[C@@H]1c1ccccc1F ZINC000677820103 539794752 /nfs/dbraw/zinc/79/47/52/539794752.db2.gz GIBKCJYWSOBLJS-CZUORRHYSA-N 0 1 261.340 2.858 20 30 CFEDMN C=CCC[C@@H](O)CN1CCC[C@]1(C)C(=O)OC(C)(C)C ZINC000599496034 350445420 /nfs/dbraw/zinc/44/54/20/350445420.db2.gz RSGALEKVRIXHAZ-CZUORRHYSA-N 0 1 283.412 2.510 20 30 CFEDMN N#CC1(C[C@H](O)CN2CC[C@@H]2c2ccc(F)cc2)CC1 ZINC000599465766 350441547 /nfs/dbraw/zinc/44/15/47/350441547.db2.gz QPGFQQMZRNULAV-LSDHHAIUSA-N 0 1 274.339 2.627 20 30 CFEDMN C[C@H](c1ccc(C#N)cc1)N1CCN(CCCF)CC1 ZINC000599672760 350477464 /nfs/dbraw/zinc/47/74/64/350477464.db2.gz UXIXXIUAMBHNHJ-CQSZACIVSA-N 0 1 275.371 2.596 20 30 CFEDMN N#CCc1cccc2c1CCN(CCO[C@H]1CC1(F)F)C2 ZINC000599679361 350481021 /nfs/dbraw/zinc/48/10/21/350481021.db2.gz ZBSLHAQCMFSKRB-HNNXBMFYSA-N 0 1 292.329 2.535 20 30 CFEDMN CCC(C)(C)N1CCN(C(=O)C(C#N)(CC)CC)CC1 ZINC000600086170 350507359 /nfs/dbraw/zinc/50/73/59/350507359.db2.gz KPQXSPSAYDPICZ-UHFFFAOYSA-N 0 1 279.428 2.649 20 30 CFEDMN Cc1nc(C)c(CN[C@H]2CCc3cc(C#N)ccc32)o1 ZINC000600156980 350523473 /nfs/dbraw/zinc/52/34/73/350523473.db2.gz WZAHHOUWDYDUKL-HNNXBMFYSA-N 0 1 267.332 2.940 20 30 CFEDMN C[C@@H]1C[C@@H]1Cn1[nH]c(C(C)(C)C)c(CCC#N)c1=O ZINC000600672563 350594232 /nfs/dbraw/zinc/59/42/32/350594232.db2.gz OSMLXXAOVUYTDZ-GHMZBOCLSA-N 0 1 261.369 2.998 20 30 CFEDMN C=CC1CCN(Cc2csc(-c3cnn(C)c3)n2)CC1 ZINC000600681504 350596495 /nfs/dbraw/zinc/59/64/95/350596495.db2.gz RGDBCPGDDLKCSS-UHFFFAOYSA-N 0 1 288.420 2.942 20 30 CFEDMN CN(Cc1cn([C@H]2CC[C@H](C#N)C2)nn1)C1CCCCC1 ZINC000600813634 350617384 /nfs/dbraw/zinc/61/73/84/350617384.db2.gz QNSNTZDMBDSMBN-BBRMVZONSA-N 0 1 287.411 2.907 20 30 CFEDMN CC(C)(C)c1nc[nH]c1C(=O)Nc1cccc(C#N)c1 ZINC000600890745 350623731 /nfs/dbraw/zinc/62/37/31/350623731.db2.gz HJCVJMMTBFQUNG-UHFFFAOYSA-N 0 1 268.320 2.831 20 30 CFEDMN Cn1nc2c(c1-c1nc3ccc(C#N)cc3[nH]1)CCCC2 ZINC000600888251 350623753 /nfs/dbraw/zinc/62/37/53/350623753.db2.gz WOXMBGZJGVAEDY-UHFFFAOYSA-N 0 1 277.331 2.714 20 30 CFEDMN N#Cc1ccc(CN[C@H]2CCc3cc(N)ccc32)o1 ZINC000600770087 350607849 /nfs/dbraw/zinc/60/78/49/350607849.db2.gz UNMOKLRBAIBFGZ-HNNXBMFYSA-N 0 1 253.305 2.511 20 30 CFEDMN Cc1nc2ccc(NC(=O)C3(C#N)CC4(CC4)C3)cc2[nH]1 ZINC000600981813 350640814 /nfs/dbraw/zinc/64/08/14/350640814.db2.gz RFXNFQLEGLPMPY-UHFFFAOYSA-N 0 1 280.331 2.894 20 30 CFEDMN C[C@@H]1CN(c2ncc(C#N)c3ccsc32)C[C@H](C)N1C ZINC000601168944 350687205 /nfs/dbraw/zinc/68/72/05/350687205.db2.gz GKQHZISKSJOAKG-PHIMTYICSA-N 0 1 286.404 2.697 20 30 CFEDMN C[C@@H](N[C@@H](C)c1cccc(C#N)c1)[C@@H](O)C(F)(F)F ZINC000601301316 350719775 /nfs/dbraw/zinc/71/97/75/350719775.db2.gz YASNHWAEZZJWAQ-YGOYTEALSA-N 0 1 272.270 2.521 20 30 CFEDMN N#CC1(c2nc(-c3ccc4[nH]cnc4c3)no2)CC2(CC2)C1 ZINC000601365726 350727052 /nfs/dbraw/zinc/72/70/52/350727052.db2.gz VZBRSEYEDAPWTC-UHFFFAOYSA-N 0 1 291.314 2.948 20 30 CFEDMN C[C@@H]1CCc2[nH]n(-c3ccc(C#N)c(Cl)c3)c(=O)c21 ZINC000601950043 350816990 /nfs/dbraw/zinc/81/69/90/350816990.db2.gz STYQMADGDXTOKZ-AMIZOPFISA-N 0 1 273.723 2.960 20 30 CFEDMN C[C@H](C(=O)Nc1cc(F)cc(C#N)c1)N1[C@H](C)CC[C@@H]1C ZINC000601715676 350768373 /nfs/dbraw/zinc/76/83/73/350768373.db2.gz OBLTYLCZHDEPNP-GRYCIOLGSA-N 0 1 289.354 2.897 20 30 CFEDMN N#CCc1ccc(CN2CCO[C@@H](C(F)F)CC2)cc1 ZINC000601974557 350822506 /nfs/dbraw/zinc/82/25/06/350822506.db2.gz KUBDZZVNUZKHAD-CQSZACIVSA-N 0 1 280.318 2.609 20 30 CFEDMN CN(C(=O)c1cc(-c2ccccc2)[nH]n1)[C@@H]1CCC[C@H]1C#N ZINC000601823101 350786242 /nfs/dbraw/zinc/78/62/42/350786242.db2.gz WTPWNDZJOLAKIT-XJKSGUPXSA-N 0 1 294.358 2.841 20 30 CFEDMN C[C@H](c1ccc(C#N)cc1)N1CCO[C@H](C(F)F)CC1 ZINC000601975291 350822583 /nfs/dbraw/zinc/82/25/83/350822583.db2.gz MXTLGJHQCVCGQK-RISCZKNCSA-N 0 1 280.318 2.975 20 30 CFEDMN C[C@@H](c1cccc(C#N)c1)N1CCO[C@@H](C(F)F)CC1 ZINC000601976434 350822734 /nfs/dbraw/zinc/82/27/34/350822734.db2.gz PXPRNBJYJFGOHF-SMDDNHRTSA-N 0 1 280.318 2.975 20 30 CFEDMN CC[C@](C)(C#N)C(=O)N[C@@H]1CCN(Cc2cccc(C)c2)C1 ZINC000601851667 350792243 /nfs/dbraw/zinc/79/22/43/350792243.db2.gz VZQGRHQTXQKBIA-SJLPKXTDSA-N 0 1 299.418 2.625 20 30 CFEDMN CCC(C#N)(CC)c1nc([C@@H](N)CC(C)C)no1 ZINC000601925423 350803698 /nfs/dbraw/zinc/80/36/98/350803698.db2.gz MVJOADPKPJGYBY-JTQLQIEISA-N 0 1 250.346 2.697 20 30 CFEDMN Cc1[nH]n(-c2ccc(F)c(F)c2F)c(=O)c1CCC#N ZINC000601934017 350806891 /nfs/dbraw/zinc/80/68/91/350806891.db2.gz IMMJYPYZBMXBCU-QMMMGPOBSA-N 0 1 281.237 2.746 20 30 CFEDMN Cc1[nH]n(Cc2ccc(Cl)cc2)c(=O)c1CCC#N ZINC000601941282 350811199 /nfs/dbraw/zinc/81/11/99/350811199.db2.gz WOYIRVXNZJEHTK-ZDUSSCGKSA-N 0 1 275.739 2.978 20 30 CFEDMN N#Cc1c(F)cccc1CNCCN1Cc2ccccc2C1 ZINC000602008067 350829578 /nfs/dbraw/zinc/82/95/78/350829578.db2.gz PVDDOBLUYIYYHW-UHFFFAOYSA-N 0 1 295.361 2.803 20 30 CFEDMN C[C@H](Cc1ccccn1)NCc1cccc(F)c1C#N ZINC000602018906 350832990 /nfs/dbraw/zinc/83/29/90/350832990.db2.gz AXMLNNQBXSYPBZ-GFCCVEGCSA-N 0 1 269.323 2.813 20 30 CFEDMN CO[C@@H]([C@H](C)NCc1cccc(F)c1C#N)C1CC1 ZINC000602022758 350833759 /nfs/dbraw/zinc/83/37/59/350833759.db2.gz HAMDQZOSNNFVLU-BONVTDFDSA-N 0 1 262.328 2.600 20 30 CFEDMN C[C@@H](COCC1CC1)NCc1cccc(F)c1C#N ZINC000602022165 350833833 /nfs/dbraw/zinc/83/38/33/350833833.db2.gz XWOXNKBOCDLAAT-NSHDSACASA-N 0 1 262.328 2.602 20 30 CFEDMN C[C@@]1(CNCc2cccc(F)c2C#N)CC1(F)F ZINC000602027284 350834790 /nfs/dbraw/zinc/83/47/90/350834790.db2.gz GGYUCDPDPKMMTN-LBPRGKRZSA-N 0 1 254.255 2.832 20 30 CFEDMN Cc1cccnc1CCNCc1cccc(F)c1C#N ZINC000602026020 350835063 /nfs/dbraw/zinc/83/50/63/350835063.db2.gz TYNALQNIOPSBIY-UHFFFAOYSA-N 0 1 269.323 2.733 20 30 CFEDMN N#CCc1ccc(NC(=O)[C@H]2CCN2C2CCCC2)cc1 ZINC000602046591 350836978 /nfs/dbraw/zinc/83/69/78/350836978.db2.gz TWJBMZYOMNHVGK-MRXNPFEDSA-N 0 1 283.375 2.708 20 30 CFEDMN CN1CCCC[C@H]1C(=O)N(Cc1ccc(C#N)cc1)C1CC1 ZINC000602051719 350837026 /nfs/dbraw/zinc/83/70/26/350837026.db2.gz IMIXZZYLNRTOHM-KRWDZBQOSA-N 0 1 297.402 2.534 20 30 CFEDMN C[C@H](CC#N)Sc1ccccc1NC(=O)[C@@H](C)N(C)C ZINC000602097796 350840703 /nfs/dbraw/zinc/84/07/03/350840703.db2.gz PNAUXSFJTAGCNH-VXGBXAGGSA-N 0 1 291.420 2.969 20 30 CFEDMN Cc1nc(CCNCc2cccc(F)c2C#N)cs1 ZINC000602007127 350828698 /nfs/dbraw/zinc/82/86/98/350828698.db2.gz VVQWNUDIVNSEKC-UHFFFAOYSA-N 0 1 275.352 2.795 20 30 CFEDMN CC[C@@H](O)CN(Cc1ccccc1)Cc1cccc(C#N)n1 ZINC000602477588 350898737 /nfs/dbraw/zinc/89/87/37/350898737.db2.gz TWAOTEOEKQGQQN-GOSISDBHSA-N 0 1 295.386 2.726 20 30 CFEDMN CCOC(=O)c1ccc(CN[C@H](C)c2ccc(C#N)cc2)[nH]1 ZINC000602508357 350909677 /nfs/dbraw/zinc/90/96/77/350909677.db2.gz BJKQLGMZDDPTET-GFCCVEGCSA-N 0 1 297.358 2.914 20 30 CFEDMN C[C@@H](NCc1cc2c(cn1)OCCO2)c1ccc(C#N)cc1 ZINC000602512388 350910595 /nfs/dbraw/zinc/91/05/95/350910595.db2.gz YDIPVPXBEMUPRH-GFCCVEGCSA-N 0 1 295.342 2.575 20 30 CFEDMN COc1cc(CNCc2cccc(C#N)n2)ccc1C ZINC000602530532 350916145 /nfs/dbraw/zinc/91/61/45/350916145.db2.gz ULYWURNARYOSRL-UHFFFAOYSA-N 0 1 267.332 2.560 20 30 CFEDMN C[C@@H]1Cc2ccccc2[C@@H]1NCc1cccc(C#N)n1 ZINC000602539807 350917645 /nfs/dbraw/zinc/91/76/45/350917645.db2.gz KZVDMQLEZHDNFQ-SJKOYZFVSA-N 0 1 263.344 2.976 20 30 CFEDMN N#CC1CCC(N[C@H](CO)c2c(F)cccc2F)CC1 ZINC000602547435 350919936 /nfs/dbraw/zinc/91/99/36/350919936.db2.gz POKQRAWXGVSJRS-QIMFLAQGSA-N 0 1 280.318 2.670 20 30 CFEDMN CC[C@H](NCc1cccc(C#N)n1)c1ccncc1 ZINC000602559516 350924178 /nfs/dbraw/zinc/92/41/78/350924178.db2.gz PKBCKNRDAMEHEG-HNNXBMFYSA-N 0 1 252.321 2.589 20 30 CFEDMN C[C@@H](CCC#N)CN(C)Cc1nc(-c2cccnc2)no1 ZINC000602476050 350896870 /nfs/dbraw/zinc/89/68/70/350896870.db2.gz VHYUXVLCFYQUMT-LBPRGKRZSA-N 0 1 285.351 2.503 20 30 CFEDMN Cc1noc([C@H]2CCCCN2C[C@H](C)CCC#N)n1 ZINC000602652743 350962222 /nfs/dbraw/zinc/96/22/22/350962222.db2.gz FPSKRYJUXYHGCJ-DGCLKSJQSA-N 0 1 262.357 2.845 20 30 CFEDMN CN(CCc1ccccc1[N+](=O)[O-])Cc1cccc(C#N)n1 ZINC000602651641 350962243 /nfs/dbraw/zinc/96/22/43/350962243.db2.gz UHSJLEQAVMRGKQ-UHFFFAOYSA-N 0 1 296.330 2.536 20 30 CFEDMN CCn1ccnc1[C@H](C)N[C@H](C)CC1(C#N)CCOCC1 ZINC000602679739 350974427 /nfs/dbraw/zinc/97/44/27/350974427.db2.gz BTEJVQXLGAKEAK-KGLIPLIRSA-N 0 1 290.411 2.653 20 30 CFEDMN Cc1cc(C)c(/C=C\CN2CC[C@@](O)(CC#N)C2)c(C)c1 ZINC000602694670 350982766 /nfs/dbraw/zinc/98/27/66/350982766.db2.gz ATQZSIZSDFPOIF-XDXAGZTOSA-N 0 1 284.403 2.976 20 30 CFEDMN Cc1ncc([C@@H](C)N2CCC[C@H](CC#N)C2)c(C)n1 ZINC000602710867 350993033 /nfs/dbraw/zinc/99/30/33/350993033.db2.gz ZAMUBILFYQHBLD-TZMCWYRMSA-N 0 1 258.369 2.780 20 30 CFEDMN CO[C@@](C)(CN1Cc2ccc(C#N)cc2C1)C1CC1 ZINC000602712527 350994688 /nfs/dbraw/zinc/99/46/88/350994688.db2.gz UECRVFVLOWGYRH-INIZCTEOSA-N 0 1 256.349 2.689 20 30 CFEDMN CN(c1ccccc1)[C@@H]1CCN(Cc2cccc(C#N)n2)C1 ZINC000602718375 350998122 /nfs/dbraw/zinc/99/81/22/350998122.db2.gz NNKVQFYURYKSFV-GOSISDBHSA-N 0 1 292.386 2.664 20 30 CFEDMN C[C@@]1(C#N)CCN(C[C@@H]2CCN(c3ccccc3)C2)C1 ZINC000602719172 350998993 /nfs/dbraw/zinc/99/89/93/350998993.db2.gz UPAQNRAYUIZIHT-RDJZCZTQSA-N 0 1 269.392 2.748 20 30 CFEDMN CCCN(CC(=O)OC(C)(C)C)C[C@@H](C)CCC#N ZINC000602612685 350946398 /nfs/dbraw/zinc/94/63/98/350946398.db2.gz KQEQJFZQGZXSAA-ZDUSSCGKSA-N 0 1 268.401 2.980 20 30 CFEDMN C[C@H](CCC#N)CNCc1nc(-c2ccccc2)no1 ZINC000602618403 350947929 /nfs/dbraw/zinc/94/79/29/350947929.db2.gz RTLZUKPBNMYYNH-GFCCVEGCSA-N 0 1 270.336 2.766 20 30 CFEDMN COc1ncc(CN[C@@H]2CCc3cc(C#N)ccc32)s1 ZINC000602638131 350957453 /nfs/dbraw/zinc/95/74/53/350957453.db2.gz CUQFBEDZBKFJJK-CQSZACIVSA-N 0 1 285.372 2.800 20 30 CFEDMN CC(C)(NCC1(CC#N)CC1)C(=O)Nc1ccccc1 ZINC000602795705 351028062 /nfs/dbraw/zinc/02/80/62/351028062.db2.gz NDZCCFXKDGBCOF-UHFFFAOYSA-N 0 1 271.364 2.687 20 30 CFEDMN CO[C@@]1(C(F)(F)F)CCCN(CC2(CC#N)CC2)C1 ZINC000602815688 351035869 /nfs/dbraw/zinc/03/58/69/351035869.db2.gz QHKJIRRAWKOOML-LBPRGKRZSA-N 0 1 276.302 2.724 20 30 CFEDMN CSc1cccc(CN2C[C@@H](C)N(CC#N)[C@H](C)C2)c1 ZINC000602850067 351045252 /nfs/dbraw/zinc/04/52/52/351045252.db2.gz OLVZXJRTZYEFBP-ZIAGYGMSSA-N 0 1 289.448 2.827 20 30 CFEDMN CSc1ccccc1CN1C[C@@H](C)N(CC#N)[C@@H](C)C1 ZINC000602853386 351045803 /nfs/dbraw/zinc/04/58/03/351045803.db2.gz IBPRHTVOPDCBDV-OKILXGFUSA-N 0 1 289.448 2.827 20 30 CFEDMN C[C@@H]1CN(CCc2ccccc2Cl)C[C@H](C)N1CC#N ZINC000602857074 351047757 /nfs/dbraw/zinc/04/77/57/351047757.db2.gz OTQFEKOHLPCHFB-OKILXGFUSA-N 0 1 291.826 2.801 20 30 CFEDMN C[C@H](CC#N)NCCC(=O)Nc1ccccc1C(F)(F)F ZINC000602871195 351053703 /nfs/dbraw/zinc/05/37/03/351053703.db2.gz ZASYZZXWQFCYDI-SNVBAGLBSA-N 0 1 299.296 2.926 20 30 CFEDMN C[C@H](CC#N)NCc1nc2ccc(Br)cc2[nH]1 ZINC000602871754 351054311 /nfs/dbraw/zinc/05/43/11/351054311.db2.gz VZWFVAWOKWDJNT-MRVPVSSYSA-N 0 1 293.168 2.717 20 30 CFEDMN C=CC[C@H]1CC[N@H+](Cc2cnc(C(=O)OCC)s2)C1 ZINC000602915810 351064463 /nfs/dbraw/zinc/06/44/63/351064463.db2.gz KNOIMWLQOHZZQO-NSHDSACASA-N 0 1 280.393 2.718 20 30 CFEDMN C=CC[C@H]1CCN(Cc2cnc(C(=O)OCC)s2)C1 ZINC000602915810 351064465 /nfs/dbraw/zinc/06/44/65/351064465.db2.gz KNOIMWLQOHZZQO-NSHDSACASA-N 0 1 280.393 2.718 20 30 CFEDMN N#Cc1cc(F)cc(NC(=O)N[C@@H]2CCCc3cn[nH]c32)c1 ZINC000603074408 351100582 /nfs/dbraw/zinc/10/05/82/351100582.db2.gz RCYARAROVHBJQA-CYBMUJFWSA-N 0 1 299.309 2.620 20 30 CFEDMN Cc1cc(C#N)ccc1C(=O)N1CCN(C)[C@@H](C(C)(C)C)C1 ZINC000603141146 351110639 /nfs/dbraw/zinc/11/06/39/351110639.db2.gz DHPSNLBASMKXQV-MRXNPFEDSA-N 0 1 299.418 2.669 20 30 CFEDMN CCn1nc(C)c(CN(C)[C@@H]2CC[C@@H](C#N)C2)c1C ZINC000602924563 351068160 /nfs/dbraw/zinc/06/81/60/351068160.db2.gz FOPNZYCRKLBNAM-ZIAGYGMSSA-N 0 1 260.385 2.644 20 30 CFEDMN CN(CCC(=O)Nc1ccccc1)[C@H]1CCC[C@H]1C#N ZINC000602976251 351076908 /nfs/dbraw/zinc/07/69/08/351076908.db2.gz NDVOUGLCEWZARZ-ZFWWWQNUSA-N 0 1 271.364 2.639 20 30 CFEDMN CN(CCC(=O)Nc1cccc(F)c1)[C@H]1CCC[C@@H]1C#N ZINC000602975872 351077191 /nfs/dbraw/zinc/07/71/91/351077191.db2.gz IFBWYQIXDZICTR-DOMZBBRYSA-N 0 1 289.354 2.778 20 30 CFEDMN Cc1ccccc1NC(=O)CCN(C)[C@@H]1CCC[C@@H]1C#N ZINC000602979426 351079835 /nfs/dbraw/zinc/07/98/35/351079835.db2.gz DDXUVZGZJPXFNL-GDBMZVCRSA-N 0 1 285.391 2.948 20 30 CFEDMN CN(CCC(=O)Nc1ccc(C#N)cc1)[C@@H]1CCC[C@H]1C#N ZINC000602979560 351081241 /nfs/dbraw/zinc/08/12/41/351081241.db2.gz FWNNAXOVYLGVLX-GOEBONIOSA-N 0 1 296.374 2.511 20 30 CFEDMN C[C@H](c1ccccc1)[C@H](O)CN(C)[C@@H]1CCC[C@H]1C#N ZINC000602982421 351083116 /nfs/dbraw/zinc/08/31/16/351083116.db2.gz SBBJSLAWCGFYGD-XLNGHYISSA-N 0 1 272.392 2.775 20 30 CFEDMN Cc1[nH]n(-c2ccccc2Cl)c(=O)c1CCC#N ZINC000603923926 351192031 /nfs/dbraw/zinc/19/20/31/351192031.db2.gz RHISLBKMZKXZJW-SNVBAGLBSA-N 0 1 261.712 2.982 20 30 CFEDMN CCN(CC)Cc1ccc(C(=O)N[C@@H](C#N)CC(C)C)o1 ZINC000608823394 351477445 /nfs/dbraw/zinc/47/74/45/351477445.db2.gz DWVYDLONFUWROE-CYBMUJFWSA-N 0 1 291.395 2.789 20 30 CFEDMN CCN1CCCC[C@@H]1CNc1ncc(C#N)cc1Cl ZINC000609631228 351513042 /nfs/dbraw/zinc/51/30/42/351513042.db2.gz QZNUOSJCMMCGRZ-GFCCVEGCSA-N 0 1 278.787 2.893 20 30 CFEDMN N#Cc1cccc(CN2CC[C@@H](OCc3ccccn3)C2)c1 ZINC000610765574 351605887 /nfs/dbraw/zinc/60/58/87/351605887.db2.gz YRAGFOJCRPSHKA-GOSISDBHSA-N 0 1 293.370 2.744 20 30 CFEDMN N#Cc1cccc(CN2CCC[C@@H](c3cc[nH]n3)C2)c1F ZINC000611266318 351659873 /nfs/dbraw/zinc/65/98/73/351659873.db2.gz CMKAVFAXGFEMOG-CYBMUJFWSA-N 0 1 284.338 2.800 20 30 CFEDMN CN(CCOC(C)(C)C)Cc1cc(C#N)cs1 ZINC000611274736 351662708 /nfs/dbraw/zinc/66/27/08/351662708.db2.gz RHMQSAMIYMZSIE-UHFFFAOYSA-N 0 1 252.383 2.867 20 30 CFEDMN CN(CCCOc1ccccc1)Cc1ccnc(C#N)c1 ZINC000610991676 351630071 /nfs/dbraw/zinc/63/00/71/351630071.db2.gz WAMHKODUAJDETD-UHFFFAOYSA-N 0 1 281.359 2.854 20 30 CFEDMN N#Cc1cc(CN2CCCO[C@@H](c3ccccc3)C2)ccn1 ZINC000610992389 351630145 /nfs/dbraw/zinc/63/01/45/351630145.db2.gz AEHUHGBXIFWMCS-GOSISDBHSA-N 0 1 293.370 2.917 20 30 CFEDMN C[C@H](NCC(=O)NC(C1CC1)C1CC1)c1cccc(C#N)c1 ZINC000611386044 351677788 /nfs/dbraw/zinc/67/77/88/351677788.db2.gz AZYYDGSKRRUEGV-LBPRGKRZSA-N 0 1 297.402 2.514 20 30 CFEDMN CC[C@H]1CCCCN1C(=O)CN[C@@H](C)c1cccc(C#N)c1 ZINC000611388102 351678899 /nfs/dbraw/zinc/67/88/99/351678899.db2.gz WZPZJLLVUWHHCL-YOEHRIQHSA-N 0 1 299.418 3.000 20 30 CFEDMN CCCCN1CCN([C@H](C#N)c2ccc(F)cc2)CC1 ZINC000611553036 351707952 /nfs/dbraw/zinc/70/79/52/351707952.db2.gz PKPNOJKSRRZBKP-MRXNPFEDSA-N 0 1 275.371 2.808 20 30 CFEDMN CCCCN1CCN([C@@H](C#N)c2ccc(F)cc2)CC1 ZINC000611553035 351707529 /nfs/dbraw/zinc/70/75/29/351707529.db2.gz PKPNOJKSRRZBKP-INIZCTEOSA-N 0 1 275.371 2.808 20 30 CFEDMN C[C@@H](CCO)N(Cc1ccccc1)Cc1ccnc(C#N)c1 ZINC000611324279 351669081 /nfs/dbraw/zinc/66/90/81/351669081.db2.gz VGHAACCDSCSTKI-HNNXBMFYSA-N 0 1 295.386 2.726 20 30 CFEDMN N#Cc1cccc(OCCN2CCC[C@@H](OC(F)F)C2)c1 ZINC000611580538 351712642 /nfs/dbraw/zinc/71/26/42/351712642.db2.gz XPKAEOGXOTVVMH-CQSZACIVSA-N 0 1 296.317 2.641 20 30 CFEDMN CC[C@@H](NCc1ccnc(C#N)c1)c1c(C)nn(C)c1C ZINC000612488090 351826112 /nfs/dbraw/zinc/82/61/12/351826112.db2.gz NMWWUNGYKXBCBM-OAHLLOKOSA-N 0 1 283.379 2.545 20 30 CFEDMN C[C@@H](c1cccc(C#N)c1)N1CCN(CCCF)CC1 ZINC000612544490 351833580 /nfs/dbraw/zinc/83/35/80/351833580.db2.gz MJRVHOIVKIDEFI-AWEZNQCLSA-N 0 1 275.371 2.596 20 30 CFEDMN C[C@]1(C#N)CCCN(C(=O)c2ccc(O)c(Cl)c2)C1 ZINC000612367233 351809030 /nfs/dbraw/zinc/80/90/30/351809030.db2.gz NHVFCBWDIRXMJE-CQSZACIVSA-N 0 1 278.739 2.811 20 30 CFEDMN CN(C)Cc1ccsc1C(=O)N1CCC[C@@](C)(C#N)C1 ZINC000612369600 351809358 /nfs/dbraw/zinc/80/93/58/351809358.db2.gz KZQAZBALJLPKHQ-HNNXBMFYSA-N 0 1 291.420 2.576 20 30 CFEDMN CC(C)(C#N)CNCc1cnc(-c2ccccc2)[nH]1 ZINC000612585530 351839408 /nfs/dbraw/zinc/83/94/08/351839408.db2.gz JWBJPZDBKXNESF-UHFFFAOYSA-N 0 1 254.337 2.716 20 30 CFEDMN C[C@@H](C(=O)Nc1ccccc1C#N)N1CCC2(CCC2)C1 ZINC000123639984 187102132 /nfs/dbraw/zinc/10/21/32/187102132.db2.gz QGSQPWSKNFZTGH-ZDUSSCGKSA-N 0 1 283.375 2.761 20 30 CFEDMN C#CCN(CC)C[C@H](O)c1ccc(C(F)(F)F)cc1 ZINC000291958159 198116659 /nfs/dbraw/zinc/11/66/59/198116659.db2.gz RCTLPVTWCNWKBG-ZDUSSCGKSA-N 0 1 271.282 2.694 20 30 CFEDMN Cc1cnc([C@@H](C)NC[C@H](O)c2ccc(C#N)cc2)s1 ZINC000124313005 187131998 /nfs/dbraw/zinc/13/19/98/187131998.db2.gz LZIUPJGREQXYRM-RISCZKNCSA-N 0 1 287.388 2.707 20 30 CFEDMN CC(C)(C)c1ccc(C#N)c(N2CCN(CC3CC3)CC2)n1 ZINC000613413784 351954041 /nfs/dbraw/zinc/95/40/41/351954041.db2.gz VBNCJNARVMVOEQ-UHFFFAOYSA-N 0 1 298.434 2.783 20 30 CFEDMN CC(C)(C)c1ccc(C#N)c(N2CCN(C3CCC3)CC2)n1 ZINC000613423822 351956787 /nfs/dbraw/zinc/95/67/87/351956787.db2.gz PYOLMNSPYQWWHL-UHFFFAOYSA-N 0 1 298.434 2.925 20 30 CFEDMN CC(C)c1nc([C@H](C)NC2CCN(CC#N)CC2)cs1 ZINC000613597697 351984626 /nfs/dbraw/zinc/98/46/26/351984626.db2.gz FSOSKLZTTFHBHO-LBPRGKRZSA-N 0 1 292.452 2.905 20 30 CFEDMN COc1cc(C)c([C@H](C)N2CCN(CC#N)CC2)cc1C ZINC000614962757 352137069 /nfs/dbraw/zinc/13/70/69/352137069.db2.gz GNDXEESJUMULHM-HNNXBMFYSA-N 0 1 287.407 2.514 20 30 CFEDMN Cc1cc(C#N)ccc1CN1CCC[C@@H]1[C@H](O)C(F)(F)F ZINC000614398195 352089466 /nfs/dbraw/zinc/08/94/66/352089466.db2.gz NUVVAOWQSLEVNL-KGLIPLIRSA-N 0 1 298.308 2.754 20 30 CFEDMN CC[C@@]1(C)COCCN1Cc1ccc(C#N)cc1C ZINC000614403364 352090007 /nfs/dbraw/zinc/09/00/07/352090007.db2.gz UZORHSSTLBROHV-INIZCTEOSA-N 0 1 258.365 2.868 20 30 CFEDMN CC(=O)Nc1cccc2c1CCN([C@H](C)CCC#N)C2 ZINC000616014925 352273726 /nfs/dbraw/zinc/27/37/26/352273726.db2.gz VULJQNYRIYNJRJ-GFCCVEGCSA-N 0 1 271.364 2.695 20 30 CFEDMN C=C(Cl)CN[C@@H](C)CC(=O)Nc1cccnc1Cl ZINC000271511653 191184197 /nfs/dbraw/zinc/18/41/97/191184197.db2.gz OTMJJTGOGPPNCF-VIFPVBQESA-N 0 1 288.178 2.794 20 30 CFEDMN C=CC[C@H]1CCCC[C@@H]1NC(=O)c1[nH]nc2c1CCC2 ZINC000617036985 352473691 /nfs/dbraw/zinc/47/36/91/352473691.db2.gz HAPDLDROBJJCGE-AAEUAGOBSA-N 0 1 273.380 2.763 20 30 CFEDMN C=CC[C@@H]1CCCC[C@H]1NC(=O)c1[nH]nc2c1CCC2 ZINC000617036986 352473780 /nfs/dbraw/zinc/47/37/80/352473780.db2.gz HAPDLDROBJJCGE-DGCLKSJQSA-N 0 1 273.380 2.763 20 30 CFEDMN C=CC[C@H]1CCCC[C@H]1NC(=O)Cc1cc(C)n[nH]1 ZINC000617040786 352476181 /nfs/dbraw/zinc/47/61/81/352476181.db2.gz YRMJDYXQSWBUHT-GXTWGEPZSA-N 0 1 261.369 2.512 20 30 CFEDMN C=CCCC1(CNC(=O)[C@H](C)N(C)C)CCCC1 ZINC000617417325 352561678 /nfs/dbraw/zinc/56/16/78/352561678.db2.gz URGBQFVESYMRQD-ZDUSSCGKSA-N 0 1 252.402 2.579 20 30 CFEDMN CC[C@@H](NCc1cc(C)n[nH]1)c1ccc(C#N)cc1 ZINC000618569239 352813066 /nfs/dbraw/zinc/81/30/66/352813066.db2.gz VMTVMCOTTSJYPJ-OAHLLOKOSA-N 0 1 254.337 2.831 20 30 CFEDMN C[C@@H](N[C@@H](C)c1cccc(C#N)c1)c1ccnn1C ZINC000618570166 352813080 /nfs/dbraw/zinc/81/30/80/352813080.db2.gz VSVLUHIVEQHKEX-NWDGAFQWSA-N 0 1 254.337 2.704 20 30 CFEDMN CCN1CCCC[C@H]1C(=O)N[C@H]1CCc2cc(C#N)ccc21 ZINC000618893271 352906877 /nfs/dbraw/zinc/90/68/77/352906877.db2.gz FSGYAAJEKJKHPJ-IRXDYDNUSA-N 0 1 297.402 2.536 20 30 CFEDMN N#Cc1ccc2c(c1)CC[C@H]2NC(=O)c1ccc(F)cc1O ZINC000618892924 352907018 /nfs/dbraw/zinc/90/70/18/352907018.db2.gz SMNBFHUQEYIFLJ-OAHLLOKOSA-N 0 1 296.301 2.820 20 30 CFEDMN C[C@H](N[C@@H]1CCc2cc(C#N)ccc21)c1cnn(C)c1 ZINC000618805599 352883988 /nfs/dbraw/zinc/88/39/88/352883988.db2.gz OSDAWXLGUQRMJN-MEDUHNTESA-N 0 1 266.348 2.630 20 30 CFEDMN C=CCC1(NC(=O)c2[nH]nc3c2CCC3)CCCC1 ZINC000619103745 352953839 /nfs/dbraw/zinc/95/38/39/352953839.db2.gz BDJLLZBSSQYGMO-UHFFFAOYSA-N 0 1 259.353 2.517 20 30 CFEDMN C[C@@H](NCC(=O)Nc1cccc(C#N)c1)c1ccsc1 ZINC000619783659 353066301 /nfs/dbraw/zinc/06/63/01/353066301.db2.gz WRDDNXPDYLJLRZ-LLVKDONJSA-N 0 1 285.372 2.909 20 30 CFEDMN N#C[C@@H](c1ccc(Cl)cc1)N1CCN(CCCF)CC1 ZINC000619784580 353066807 /nfs/dbraw/zinc/06/68/07/353066807.db2.gz CHFNINSRCHTNER-HNNXBMFYSA-N 0 1 295.789 2.882 20 30 CFEDMN CC(C)Oc1ncccc1CN[C@@H]1CC[C@@H](C#N)C1 ZINC000619672205 353047630 /nfs/dbraw/zinc/04/76/30/353047630.db2.gz BGBNASUCQWLBFF-TZMCWYRMSA-N 0 1 259.353 2.651 20 30 CFEDMN C=C1C[C@H]2CC[C@@H](C1)N2C(=O)c1cc(-c2ccoc2)[nH]n1 ZINC000620312813 353150313 /nfs/dbraw/zinc/15/03/13/353150313.db2.gz NDQOODGLCDSZNC-BETUJISGSA-N 0 1 283.331 2.993 20 30 CFEDMN C[C@@H](c1ccccn1)N1CC[C@H](Oc2ccc(C#N)cn2)C1 ZINC000292366771 198260635 /nfs/dbraw/zinc/26/06/35/198260635.db2.gz YJGZOYJXMDRPRQ-ZFWWWQNUSA-N 0 1 294.358 2.563 20 30 CFEDMN CN(CCOc1ccccc1)Cc1ccc(C#N)o1 ZINC000154738208 188159139 /nfs/dbraw/zinc/15/91/39/188159139.db2.gz HXNJBOOVXYDHHX-UHFFFAOYSA-N 0 1 256.305 2.662 20 30 CFEDMN CC#CCCN(CC)CC(=O)Nc1c(C)cccc1C ZINC000156670778 188275478 /nfs/dbraw/zinc/27/54/78/188275478.db2.gz GNBKICCUIIRSKT-UHFFFAOYSA-N 0 1 272.392 2.977 20 30 CFEDMN CCN(CC#Cc1ccc(F)cc1)C[C@H]1CCCO1 ZINC000157190198 188302184 /nfs/dbraw/zinc/30/21/84/188302184.db2.gz KGLFVSQOGHQDAR-MRXNPFEDSA-N 0 1 261.340 2.678 20 30 CFEDMN OCC[C@@H]1CCCCN1CC#Cc1cccc(Cl)c1 ZINC000158465467 188378058 /nfs/dbraw/zinc/37/80/58/188378058.db2.gz OFAYIUPDMLOXKW-INIZCTEOSA-N 0 1 277.795 2.928 20 30 CFEDMN C=CCC(F)(F)C(=O)NC[C@H](c1cccs1)N(C)C ZINC000292699443 198381233 /nfs/dbraw/zinc/38/12/33/198381233.db2.gz QKCVSTZGZDGDSV-SNVBAGLBSA-N 0 1 288.363 2.678 20 30 CFEDMN C=CCCOCCN[C@@H]1CCCc2scnc21 ZINC000623924591 353760948 /nfs/dbraw/zinc/76/09/48/353760948.db2.gz HJBSXOIEUAUBLC-LLVKDONJSA-N 0 1 252.383 2.703 20 30 CFEDMN C=CC[C@H]1CC[N@H+](CC(=O)N([C@@H](C)C2CC2)C2CC2)C1 ZINC000625699920 354087725 /nfs/dbraw/zinc/08/77/25/354087725.db2.gz DZYLJVCHHMCIAZ-KBPBESRZSA-N 0 1 276.424 2.674 20 30 CFEDMN C=CC[C@H]1CCN(CC(=O)N[C@@H](C)c2cccs2)C1 ZINC000625701305 354089076 /nfs/dbraw/zinc/08/90/76/354089076.db2.gz ONLHIEKCLMCXAE-STQMWFEESA-N 0 1 278.421 2.823 20 30 CFEDMN C=CC[C@H]1CCN(C(=O)c2cc(C)cc3c[nH]nc32)C1 ZINC000628486434 354604144 /nfs/dbraw/zinc/60/41/44/354604144.db2.gz IHOFGKRNDMYVPB-LBPRGKRZSA-N 0 1 269.348 2.910 20 30 CFEDMN N#Cc1c(F)cccc1CN[C@@H]1Cc2cccc(O)c2C1 ZINC000336516627 283075123 /nfs/dbraw/zinc/07/51/23/283075123.db2.gz LXAPQPNNRQVWJE-CYBMUJFWSA-N 0 1 282.318 2.660 20 30 CFEDMN N#Cc1cc(F)ccc1CN1CCC[C@@H]1[C@H]1CCC[C@@H]1O ZINC000451425989 283097964 /nfs/dbraw/zinc/09/79/64/283097964.db2.gz UTCUREIYXHZRQO-ZACQAIPSSA-N 0 1 288.366 2.823 20 30 CFEDMN C=C1CC(C)(C(=O)NCc2nc3cccc(C)c3[nH]2)C1 ZINC000632215879 355665540 /nfs/dbraw/zinc/66/55/40/355665540.db2.gz UYVZLGYMUQWGRD-UHFFFAOYSA-N 0 1 269.348 2.844 20 30 CFEDMN C=CCOc1ccc(CN[C@H]2c3ccccc3C[C@@H]2O)cc1 ZINC000085334139 540219234 /nfs/dbraw/zinc/21/92/34/540219234.db2.gz QDXOZFVLDWPQQH-OALUTQOASA-N 0 1 295.382 2.999 20 30 CFEDMN C=CCN(Cc1cc(OC)ccc1OCOC)C1CC1 ZINC000273532453 192191600 /nfs/dbraw/zinc/19/16/00/192191600.db2.gz VIOCXGKRLKKEST-UHFFFAOYSA-N 0 1 277.364 2.828 20 30 CFEDMN C=CCN(C)[C@@H]1CCN([C@@H](C)c2ccc(F)cc2)C1=O ZINC000294479788 199055670 /nfs/dbraw/zinc/05/56/70/199055670.db2.gz HEYGMTKZHNBPNU-SWLSCSKDSA-N 0 1 276.355 2.605 20 30 CFEDMN C=C(C)[C@@H]1OCC[C@H]1C[NH2+]Cc1c(F)ccc([O-])c1F ZINC000294499645 199062946 /nfs/dbraw/zinc/06/29/46/199062946.db2.gz BKILMLGVSMVLAN-BONVTDFDSA-N 0 1 283.318 2.741 20 30 CFEDMN C=CCC(F)(F)C(=O)Nc1c(C)n[nH]c1C(F)F ZINC000294518614 199070214 /nfs/dbraw/zinc/07/02/14/199070214.db2.gz JXSDRWKFJJWSKC-UHFFFAOYSA-N 0 1 265.210 2.806 20 30 CFEDMN Cc1n[nH]c(C(C)C)c1C(=O)NCc1ccc(C#N)s1 ZINC000421927711 237010042 /nfs/dbraw/zinc/01/00/42/237010042.db2.gz ZHFSGYYBIREZIB-UHFFFAOYSA-N 0 1 288.376 2.705 20 30 CFEDMN C=C(C)[C@@H](CO)N1CC[C@@](F)(c2ccccc2C)C1 ZINC000669698305 540514175 /nfs/dbraw/zinc/51/41/75/540514175.db2.gz WYVDXZGRBXTZPR-CVEARBPZSA-N 0 1 263.356 2.803 20 30 CFEDMN C=C(C)[C@H](CO)N1CC[C@@](F)(c2ccccc2C)C1 ZINC000669698306 540514290 /nfs/dbraw/zinc/51/42/90/540514290.db2.gz WYVDXZGRBXTZPR-HOTGVXAUSA-N 0 1 263.356 2.803 20 30 CFEDMN COC[C@@H]1CCCN1CC#Cc1cccc(Cl)c1 ZINC000154491548 540574042 /nfs/dbraw/zinc/57/40/42/540574042.db2.gz AGPXRSMCADISEV-HNNXBMFYSA-N 0 1 263.768 2.802 20 30 CFEDMN C=CCn1c([C@@H](C)CC)nnc1N1CCN(CC)[C@@H](C)C1 ZINC000669811959 540574860 /nfs/dbraw/zinc/57/48/60/540574860.db2.gz LYDJYAFPPHVEDT-KBPBESRZSA-N 0 1 291.443 2.508 20 30 CFEDMN C#CCOc1ccccc1CN1CC(C)(CCOC)C1 ZINC000297461463 200199073 /nfs/dbraw/zinc/19/90/73/200199073.db2.gz ROYLAXYJMWAGPO-UHFFFAOYSA-N 0 1 273.376 2.557 20 30 CFEDMN CCCN(Cc1ccc(C#N)cc1)[C@@H]1CCN(C(C)C)C1=O ZINC000297733930 200272112 /nfs/dbraw/zinc/27/21/12/200272112.db2.gz CSNBHTIIXLMTAW-QGZVFWFLSA-N 0 1 299.418 2.780 20 30 CFEDMN COc1cccc(CNCc2ccc(C#N)s2)c1OC ZINC000176951268 189016234 /nfs/dbraw/zinc/01/62/34/189016234.db2.gz SSCGHBOHZYGEDA-UHFFFAOYSA-N 0 1 288.372 2.927 20 30 CFEDMN Cc1sc(NC(=O)CN(C)CC2CC2)c(C#N)c1C ZINC000177034944 189022647 /nfs/dbraw/zinc/02/26/47/189022647.db2.gz ARXPCZRUDAREJA-UHFFFAOYSA-N 0 1 277.393 2.517 20 30 CFEDMN COC(=O)C[C@@H]1CCCN1CC#Cc1cccc(Cl)c1 ZINC000179154252 189173439 /nfs/dbraw/zinc/17/34/39/189173439.db2.gz TWXMGZQTPRYEPS-HNNXBMFYSA-N 0 1 291.778 2.719 20 30 CFEDMN C=CCOc1ccc(CN2CCCO[C@H](C)C2)cc1OC ZINC000179398381 189191494 /nfs/dbraw/zinc/19/14/94/189191494.db2.gz NWULKEFDWUEBCR-CQSZACIVSA-N 0 1 291.391 2.871 20 30 CFEDMN C=CCOc1ccc(CN2CCC(C)(O)CC2)cc1OC ZINC000179725032 189216463 /nfs/dbraw/zinc/21/64/63/189216463.db2.gz WWFQYXJIUZKGEK-UHFFFAOYSA-N 0 1 291.391 2.607 20 30 CFEDMN C=CC[C@@H](Cc1ccccc1)NC(=O)[C@@H]1CCCCN1C ZINC000666032921 540896874 /nfs/dbraw/zinc/89/68/74/540896874.db2.gz WFKKWCOWUOPOLY-IRXDYDNUSA-N 0 1 286.419 2.774 20 30 CFEDMN C=CCNC(=O)CN[C@H](C)c1oc2ccccc2c1CC ZINC000180034297 189233531 /nfs/dbraw/zinc/23/35/31/189233531.db2.gz KRQWPWKZZRCPJW-GFCCVEGCSA-N 0 1 286.375 2.948 20 30 CFEDMN C=CCNC(=O)CN[C@@H]1CCSc2ccc(Cl)cc21 ZINC000180035784 189234003 /nfs/dbraw/zinc/23/40/03/189234003.db2.gz HFXZUDKRKVXKQM-GFCCVEGCSA-N 0 1 296.823 2.769 20 30 CFEDMN C=CCNC(=O)CN[C@@H](C)c1sc(C(C)C)nc1C ZINC000180036803 189234103 /nfs/dbraw/zinc/23/41/03/189234103.db2.gz YTIHHBLFFOUONF-JTQLQIEISA-N 0 1 281.425 2.528 20 30 CFEDMN C=CCNC(=O)CN[C@H](C)c1ccc(OCC(C)C)cc1 ZINC000181397753 189295625 /nfs/dbraw/zinc/29/56/25/189295625.db2.gz FXNGSZNSQRMOMQ-CQSZACIVSA-N 0 1 290.407 2.674 20 30 CFEDMN C=CCN(Cc1n[nH]c(CC)n1)Cc1ccc(OC)cc1 ZINC000181650954 189303528 /nfs/dbraw/zinc/30/35/28/189303528.db2.gz OCTYKZRJKRXNJR-UHFFFAOYSA-N 0 1 286.379 2.564 20 30 CFEDMN C#Cc1cccc(NC(=O)CN(C)[C@@H](C)CCC)c1 ZINC000182398827 189322064 /nfs/dbraw/zinc/32/20/64/189322064.db2.gz WTPWRPKTODDFFA-ZDUSSCGKSA-N 0 1 258.365 2.727 20 30 CFEDMN C=C[C@](C)(O)C(=O)Nc1ccc2nc(CCCC)[nH]c2c1 ZINC000667370981 541224205 /nfs/dbraw/zinc/22/42/05/541224205.db2.gz RMQYLSNWZCAYFX-INIZCTEOSA-N 0 1 287.363 2.781 20 30 CFEDMN C=CCN(C)Cc1cncc(Br)c1C ZINC000668010738 541365882 /nfs/dbraw/zinc/36/58/82/541365882.db2.gz GQYFVXWJEHYCNE-UHFFFAOYSA-N 0 1 255.159 2.770 20 30 CFEDMN N#Cc1cscc1C(=O)Nc1ccc2nc[nH]c2c1 ZINC000433089042 240095901 /nfs/dbraw/zinc/09/59/01/240095901.db2.gz NIYNRPFLNMWVQX-UHFFFAOYSA-N 0 1 268.301 2.748 20 30 CFEDMN Cc1cc(CN(C)Cc2ccncc2)ccc1C#N ZINC000446755594 241322904 /nfs/dbraw/zinc/32/29/04/241322904.db2.gz XARSEFZFRNANIM-UHFFFAOYSA-N 0 1 251.333 2.894 20 30 CFEDMN C[C@@H](C(=O)Nc1ccccc1C#Cc1ccccc1)N(C)C ZINC000674289256 541555420 /nfs/dbraw/zinc/55/54/20/541555420.db2.gz CNMIYBNJEHCDIW-HNNXBMFYSA-N 0 1 292.382 2.975 20 30 CFEDMN C=C[C@@](C)(CC)C(=O)N[C@H](C)c1n[nH]c(C(C)C)n1 ZINC000275925007 193163913 /nfs/dbraw/zinc/16/39/13/193163913.db2.gz BJFADPIPONVUKF-YGRLFVJLSA-N 0 1 264.373 2.708 20 30 CFEDMN OCCCN(CC#Cc1cccc(Cl)c1)C1CC1 ZINC000676605838 541770828 /nfs/dbraw/zinc/77/08/28/541770828.db2.gz DMAGDBUSUPTHCX-UHFFFAOYSA-N 0 1 263.768 2.538 20 30 CFEDMN CCC(=O)N[C@H]1CCCN([C@H](C)c2ccc(C#N)cc2)C1 ZINC000330826100 203282531 /nfs/dbraw/zinc/28/25/31/203282531.db2.gz OUUUWRDIDUUIOU-CJNGLKHVSA-N 0 1 285.391 2.610 20 30 CFEDMN C=CCCN(C)Cc1cc(OC)c(F)cc1[N+](=O)[O-] ZINC000276406049 193318363 /nfs/dbraw/zinc/31/83/63/193318363.db2.gz LCFVUPOIYRICRX-UHFFFAOYSA-N 0 1 268.288 2.750 20 30 CFEDMN C=CCCN(C)[C@@H](C)C(=O)Nc1cc(OC)ccc1OC ZINC000276440838 193332157 /nfs/dbraw/zinc/33/21/57/193332157.db2.gz OOKSKESHTFFTKT-LBPRGKRZSA-N 0 1 292.379 2.539 20 30 CFEDMN C=CCCN(C)CC(=O)N[C@H](c1ccccc1)C1CC1 ZINC000276506962 193360318 /nfs/dbraw/zinc/36/03/18/193360318.db2.gz XAQBJCRMTPMUPR-QGZVFWFLSA-N 0 1 272.392 2.762 20 30 CFEDMN CC[C@@H](C)c1nc([C@@H](C)Nc2ncccc2C#N)n[nH]1 ZINC000277438097 193654139 /nfs/dbraw/zinc/65/41/39/193654139.db2.gz OCTMALNIYOEPOX-NXEZZACHSA-N 0 1 270.340 2.758 20 30 CFEDMN C=C(C)[C@@H](CO)Sc1nc2ccc(OC)cc2[nH]1 ZINC000677130433 541825173 /nfs/dbraw/zinc/82/51/73/541825173.db2.gz FRDHPKIEHVWECJ-GFCCVEGCSA-N 0 1 264.350 2.601 20 30 CFEDMN C=C(C)[C@H](CO)Sc1n[nH]c(CCC2CCCC2)n1 ZINC000677131711 541825970 /nfs/dbraw/zinc/82/59/70/541825970.db2.gz RJFWOXAQJLSZCC-LBPRGKRZSA-N 0 1 281.425 2.957 20 30 CFEDMN C=C(C)[C@H](CO)Sc1nc(CCC2CCCC2)n[nH]1 ZINC000677131711 541825973 /nfs/dbraw/zinc/82/59/73/541825973.db2.gz RJFWOXAQJLSZCC-LBPRGKRZSA-N 0 1 281.425 2.957 20 30 CFEDMN N#Cc1ccc(-c2nc(C3(N)CCCCC3)no2)s1 ZINC000331606133 204006763 /nfs/dbraw/zinc/00/67/63/204006763.db2.gz QTXCDERJUMNTNC-UHFFFAOYSA-N 0 1 274.349 2.788 20 30 CFEDMN C[C@H](CN(C)Cc1ccc(C#N)o1)C(=O)OC(C)(C)C ZINC000459774981 245317846 /nfs/dbraw/zinc/31/78/46/245317846.db2.gz QCUOIQGZQPTBJD-LLVKDONJSA-N 0 1 278.352 2.561 20 30 CFEDMN CN(Cc1cccc(C#N)c1)Cc1ccc2c(c1)OCCO2 ZINC000016381771 372105478 /nfs/dbraw/zinc/10/54/78/372105478.db2.gz UOZRBEZETLQILU-UHFFFAOYSA-N 0 1 294.354 2.961 20 30 CFEDMN C[C@@H]1CCC[C@@H](C)N1CC(=O)Nc1cccc(C#N)c1 ZINC000019846938 372199311 /nfs/dbraw/zinc/19/93/11/372199311.db2.gz VHSFQIRUGAZTKP-CHWSQXEVSA-N 0 1 271.364 2.760 20 30 CFEDMN C=C[C@H](CC(=O)N1CC[N@H+](CC)[C@@H](C)C1)c1ccccc1 ZINC000677589261 541879445 /nfs/dbraw/zinc/87/94/45/541879445.db2.gz TUHRNDAGWOPXOT-JKSUJKDBSA-N 0 1 286.419 2.899 20 30 CFEDMN C=C[C@H](CC(=O)N1CCN(CC)[C@@H](C)C1)c1ccccc1 ZINC000677589261 541879447 /nfs/dbraw/zinc/87/94/47/541879447.db2.gz TUHRNDAGWOPXOT-JKSUJKDBSA-N 0 1 286.419 2.899 20 30 CFEDMN CC(C)(C)n1cc(CNCc2cccc(C#N)c2)cn1 ZINC000037748950 372696328 /nfs/dbraw/zinc/69/63/28/372696328.db2.gz KXFJTLKHRJMOMT-UHFFFAOYSA-N 0 1 268.364 2.800 20 30 CFEDMN Cc1ccoc1C(=O)C(C#N)c1nc2ccccc2[nH]1 ZINC000041495815 372843396 /nfs/dbraw/zinc/84/33/96/372843396.db2.gz OIPNOJUPYLTDGS-JTQLQIEISA-N 0 1 265.272 2.954 20 30 CFEDMN C=CCCC(=O)Nc1ccccc1N1CCN(CC)CC1 ZINC000263676983 383686102 /nfs/dbraw/zinc/68/61/02/383686102.db2.gz NTFJMWISGIRTAY-UHFFFAOYSA-N 0 1 287.407 2.733 20 30 CFEDMN N#Cc1ccc(OCCCN2CCO[C@H]3CCC[C@@H]32)cc1 ZINC000042292842 372899938 /nfs/dbraw/zinc/89/99/38/372899938.db2.gz GPTFZHWPACZEKW-IRXDYDNUSA-N 0 1 286.375 2.580 20 30 CFEDMN CCCN(CC(=O)N[C@@H](C)CC)Cc1ccc(C#N)cc1 ZINC000047726557 373116265 /nfs/dbraw/zinc/11/62/65/373116265.db2.gz OMBFZJOJJRLSEW-AWEZNQCLSA-N 0 1 287.407 2.685 20 30 CFEDMN CCN(CCC#N)C(=O)c1cc(-c2ccc(C)cc2)[nH]n1 ZINC000264035716 383691734 /nfs/dbraw/zinc/69/17/34/383691734.db2.gz OGTNMIDHKCSSNF-UHFFFAOYSA-N 0 1 282.347 2.761 20 30 CFEDMN CN(C(=O)c1cc(F)cc2[nH]cnc21)c1cccc(C#N)c1 ZINC000064320943 373820897 /nfs/dbraw/zinc/82/08/97/373820897.db2.gz IGYOPHAGNDSEHJ-UHFFFAOYSA-N 0 1 294.289 2.850 20 30 CFEDMN C=CCN(CCC(=O)OCC)Cc1cccc([N+](=O)[O-])c1 ZINC000063381194 373802249 /nfs/dbraw/zinc/80/22/49/373802249.db2.gz XPGXAOPFUUXJOU-UHFFFAOYSA-N 0 1 292.335 2.536 20 30 CFEDMN C[C@@H](c1ccc(-n2cncn2)cc1)[N@@H+](C)CCCC#N ZINC000067443848 373978097 /nfs/dbraw/zinc/97/80/97/373978097.db2.gz YAPHFRBLMFONQY-ZDUSSCGKSA-N 0 1 269.352 2.564 20 30 CFEDMN C=CCN(CC(F)(F)F)C(=O)c1[nH]nc2ccccc21 ZINC000069468249 374066009 /nfs/dbraw/zinc/06/60/09/374066009.db2.gz QIDKBNJDSSVNAI-UHFFFAOYSA-N 0 1 283.253 2.753 20 30 CFEDMN CCO[C@H]1C[C@H]1NCc1ccc(C#N)cc1C(F)(F)F ZINC000571486127 383698661 /nfs/dbraw/zinc/69/86/61/383698661.db2.gz QEUZFAMXPOGCKI-OLZOCXBDSA-N 0 1 284.281 2.844 20 30 CFEDMN CC(C)C[C@H]1CCN(CC(=O)Nc2cccc(C#N)c2)C1 ZINC000072492152 374257698 /nfs/dbraw/zinc/25/76/98/374257698.db2.gz FLHCEBKHHSFRJW-OAHLLOKOSA-N 0 1 285.391 2.865 20 30 CFEDMN N#C[C@H](C(=O)c1cc(-c2ccccc2)[nH]n1)c1ccccn1 ZINC000073971122 374398458 /nfs/dbraw/zinc/39/84/58/374398458.db2.gz HGPYATABFRHPLQ-ZDUSSCGKSA-N 0 1 288.310 2.962 20 30 CFEDMN N#CC(C(=O)c1cc(-c2ccccc2)[nH]n1)c1ccccn1 ZINC000073971122 374398463 /nfs/dbraw/zinc/39/84/63/374398463.db2.gz HGPYATABFRHPLQ-ZDUSSCGKSA-N 0 1 288.310 2.962 20 30 CFEDMN CC[C@]1(C)CCCN(CC(=O)NC2(C#N)CCCCC2)C1 ZINC000075998317 374518557 /nfs/dbraw/zinc/51/85/57/374518557.db2.gz RVYZDGSUJNAJEI-MRXNPFEDSA-N 0 1 291.439 2.841 20 30 CFEDMN CCc1noc(CC)c1CNCc1ccc(C#N)cc1 ZINC000088745853 374862861 /nfs/dbraw/zinc/86/28/61/374862861.db2.gz HLIGQMTVVNIJGE-UHFFFAOYSA-N 0 1 269.348 2.961 20 30 CFEDMN C=CCOc1ccc(CN2CCCOC[C@@H]2C)cc1OC ZINC000678272681 541994185 /nfs/dbraw/zinc/99/41/85/541994185.db2.gz HFVHCRVBBJHRTB-AWEZNQCLSA-N 0 1 291.391 2.871 20 30 CFEDMN CC(C)[C@H]1CN(Cc2ccc(C#N)o2)CCS1 ZINC000093869180 375326608 /nfs/dbraw/zinc/32/66/08/375326608.db2.gz CVZYXRNFLHVYEU-CYBMUJFWSA-N 0 1 250.367 2.725 20 30 CFEDMN N#Cc1cc(F)ccc1CN(C[C@H]1CCOC1)C1CC1 ZINC000103140624 375716794 /nfs/dbraw/zinc/71/67/94/375716794.db2.gz MXCSDJYJWUPVST-GFCCVEGCSA-N 0 1 274.339 2.698 20 30 CFEDMN CCN1CCCC[C@H]1C(=O)Nc1ccc(CC#N)cc1 ZINC000104141048 375770346 /nfs/dbraw/zinc/77/03/46/375770346.db2.gz AJFHGOGMEUTUSK-HNNXBMFYSA-N 0 1 271.364 2.566 20 30 CFEDMN CC(C)(C)CN(CCC#N)C[C@H](O)Cc1ccccc1 ZINC000111250483 375835445 /nfs/dbraw/zinc/83/54/45/375835445.db2.gz IDBHGFGUNGBPCL-MRXNPFEDSA-N 0 1 274.408 2.852 20 30 CFEDMN C=CC1CCN(Cc2nc(N)c3ccccc3n2)CC1 ZINC000111260155 375835470 /nfs/dbraw/zinc/83/54/70/375835470.db2.gz GXTXSFSWIUFUAC-UHFFFAOYSA-N 0 1 268.364 2.610 20 30 CFEDMN N#CCCCCN1CCN(Cc2ccc(Cl)nc2)CC1 ZINC000116305742 376178586 /nfs/dbraw/zinc/17/85/86/376178586.db2.gz WTUWSWHBJAKRTF-UHFFFAOYSA-N 0 1 292.814 2.546 20 30 CFEDMN Cn1ncc2c1CCC[C@@H]2[N@@H+](C)CCC(C)(C)C#N ZINC000120004713 376524365 /nfs/dbraw/zinc/52/43/65/376524365.db2.gz ARBKJSGPSVDUID-ZDUSSCGKSA-N 0 1 260.385 2.669 20 30 CFEDMN CN(CCC(C)(C)C#N)[C@H]1CCCc2c1cnn2C ZINC000120004713 376524371 /nfs/dbraw/zinc/52/43/71/376524371.db2.gz ARBKJSGPSVDUID-ZDUSSCGKSA-N 0 1 260.385 2.669 20 30 CFEDMN C[C@H](c1cccnc1)N1CCN(CCC(C)(C)C#N)CC1 ZINC000120023350 376531181 /nfs/dbraw/zinc/53/11/81/376531181.db2.gz IRPLFXVDMVTRIV-OAHLLOKOSA-N 0 1 286.423 2.700 20 30 CFEDMN C[N@@H+](Cc1ccc(C#N)cc1F)[C@@H]1[C@H]2CCO[C@@H]2C1(C)C ZINC000120267994 376580090 /nfs/dbraw/zinc/58/00/90/376580090.db2.gz NQRMMMOTDLUTHY-BMFZPTHFSA-N 0 1 288.366 2.943 20 30 CFEDMN CCOC[C@H]1CCCN(Cc2ccc(F)c(C#N)c2)C1 ZINC000120955388 376730882 /nfs/dbraw/zinc/73/08/82/376730882.db2.gz OKHSDGAYDUILJH-AWEZNQCLSA-N 0 1 276.355 2.946 20 30 CFEDMN CCN(C(=O)c1cnc(C)[nH]1)[C@@H](C)c1ccc(C#N)cc1 ZINC000264624687 190123702 /nfs/dbraw/zinc/12/37/02/190123702.db2.gz MFXQVOCGRVOBMW-NSHDSACASA-N 0 1 282.347 2.813 20 30 CFEDMN C=CCN(C)[C@@H](C)C(=O)N[C@H](C)c1ccccc1C ZINC000121320404 376805946 /nfs/dbraw/zinc/80/59/46/376805946.db2.gz LMCUMJWILSMIIC-KGLIPLIRSA-N 0 1 260.381 2.679 20 30 CFEDMN CN(CCOc1ccccc1F)Cc1ccc(C#N)o1 ZINC000121517887 376847760 /nfs/dbraw/zinc/84/77/60/376847760.db2.gz MZCQFDBHHKYRBV-UHFFFAOYSA-N 0 1 274.295 2.801 20 30 CFEDMN C=CCN(Cc1cccs1)C(=O)[C@@H](C)[N@@H+](C)CC=C ZINC000121622955 376871453 /nfs/dbraw/zinc/87/14/53/376871453.db2.gz XKYZZMFQQZZKEG-CYBMUJFWSA-N 0 1 278.421 2.769 20 30 CFEDMN C=CCN(C)[C@H](C)C(=O)N(CC=C)Cc1cccs1 ZINC000121622955 376871457 /nfs/dbraw/zinc/87/14/57/376871457.db2.gz XKYZZMFQQZZKEG-CYBMUJFWSA-N 0 1 278.421 2.769 20 30 CFEDMN N#Cc1ccc(F)c(CN2CCCC[C@@H]2c2nnc[nH]2)c1 ZINC000121712723 376888492 /nfs/dbraw/zinc/88/84/92/376888492.db2.gz YKGRVNQLUCDVLS-CQSZACIVSA-N 0 1 285.326 2.543 20 30 CFEDMN C=CCOc1ccccc1C[N@@H+](C)CCn1cccn1 ZINC000125278977 377136242 /nfs/dbraw/zinc/13/62/42/377136242.db2.gz AMUMWPLVDMIRPQ-UHFFFAOYSA-N 0 1 271.364 2.580 20 30 CFEDMN C=CCOc1ccccc1CN(C)CCn1cccn1 ZINC000125278977 377136247 /nfs/dbraw/zinc/13/62/47/377136247.db2.gz AMUMWPLVDMIRPQ-UHFFFAOYSA-N 0 1 271.364 2.580 20 30 CFEDMN C#CCN1CC=C(c2c[nH]c3ccc(OC)cc32)CC1 ZINC000125522935 377166262 /nfs/dbraw/zinc/16/62/62/377166262.db2.gz FWTZBFGDALMSBL-UHFFFAOYSA-N 0 1 266.344 2.899 20 30 CFEDMN C=C(C)CN(CC)[C@H](C)C(=O)NC1CCC(C)CC1 ZINC000125953448 377203873 /nfs/dbraw/zinc/20/38/73/377203873.db2.gz XVVCUTYTUWEAQK-SHARSMKWSA-N 0 1 266.429 2.968 20 30 CFEDMN N#CC1CCN(C(=O)c2cn[nH]c2-c2ccccc2F)CC1 ZINC000130219928 377523137 /nfs/dbraw/zinc/52/31/37/377523137.db2.gz RVADXLHSXKXCCZ-UHFFFAOYSA-N 0 1 298.321 2.592 20 30 CFEDMN C=CCN(Cc1cccc(C#N)c1)C(=O)c1cc(CC)[nH]n1 ZINC000130542177 377572992 /nfs/dbraw/zinc/57/29/92/377572992.db2.gz SUQIYIOIKRDTBJ-UHFFFAOYSA-N 0 1 294.358 2.672 20 30 CFEDMN C=CCOc1cccc(CN(CCC)CC(=O)N(C)C)c1 ZINC000130647633 377587581 /nfs/dbraw/zinc/58/75/81/377587581.db2.gz QMBHRVBPFBUOMA-UHFFFAOYSA-N 0 1 290.407 2.552 20 30 CFEDMN CCC#C[C@@H](C)N1CCC(C)(c2nc(C)no2)CC1 ZINC000679677258 542225202 /nfs/dbraw/zinc/22/52/02/542225202.db2.gz FEIBJMRRGANFTM-GFCCVEGCSA-N 0 1 261.369 2.533 20 30 CFEDMN CC[C@H](NCc1ccnn1C)c1ccc(C#N)cc1 ZINC000278279343 193896598 /nfs/dbraw/zinc/89/65/98/193896598.db2.gz PXAGCWFDLUMSDL-HNNXBMFYSA-N 0 1 254.337 2.533 20 30 CFEDMN N#Cc1ccc([C@@H](O)CN2CCc3ccc(F)cc3C2)cc1 ZINC000135141172 378089580 /nfs/dbraw/zinc/08/95/80/378089580.db2.gz VQVFZXDYEVBSKP-SFHVURJKSA-N 0 1 296.345 2.789 20 30 CFEDMN C=CCCCCCNC(=O)[C@@H]1CC[N@H+]1C1CCCC1 ZINC000636140519 383725755 /nfs/dbraw/zinc/72/57/55/383725755.db2.gz WZFBULBURJBCBX-HNNXBMFYSA-N 0 1 264.413 2.866 20 30 CFEDMN CC(C)(C)N(CC(N)=O)Cc1ccccc1C(C)(C)C#N ZINC000135283227 378109998 /nfs/dbraw/zinc/10/99/98/378109998.db2.gz VKGCTDWQHBAKNS-UHFFFAOYSA-N 0 1 287.407 2.574 20 30 CFEDMN C=CCN(Cc1cccc(C#N)c1)C(=O)CN(CC)C1CC1 ZINC000151809116 378361641 /nfs/dbraw/zinc/36/16/41/378361641.db2.gz MSDXNQDPKVNTGH-UHFFFAOYSA-N 0 1 297.402 2.557 20 30 CFEDMN Cc1nnc(NC(=O)[C@@H](C)N2CCCCCC2)n1C1CC1 ZINC000328992590 378446138 /nfs/dbraw/zinc/44/61/38/378446138.db2.gz FVHDMJUVVPXESF-LLVKDONJSA-N 0 1 291.399 2.774 20 30 CFEDMN Cc1cc([C@@H]2CCCN(C(=O)N[C@@H]3CC[C@H](F)C3)C2)n[nH]1 ZINC000329349921 378456201 /nfs/dbraw/zinc/45/62/01/378456201.db2.gz DXNZZTDIQCMWLK-FRRDWIJNSA-N 0 1 294.374 2.702 20 30 CFEDMN O=C(NC[C@@H]1CCCC[C@H]1O)c1cc2[nH]cnc2cc1F ZINC000329369208 378458545 /nfs/dbraw/zinc/45/85/45/378458545.db2.gz JJTSGKNTFXPMNF-LKFCYVNXSA-N 0 1 291.326 2.558 20 30 CFEDMN CCC[C@]1(NC(=O)[C@H]2CCCc3[nH]ncc32)CCOC1 ZINC000329378947 378459897 /nfs/dbraw/zinc/45/98/97/378459897.db2.gz MTQNEYKDFURRQC-NHYWBVRUSA-N 0 1 277.368 2.745 20 30 CFEDMN CC[C@@H](NC(=O)c1ccc2cncn2c1)C1CCOCC1 ZINC000328842394 378430284 /nfs/dbraw/zinc/43/02/84/378430284.db2.gz VWJMWFHKDQUVHO-OAHLLOKOSA-N 0 1 287.363 2.844 20 30 CFEDMN Cc1cnc([NH+]=C([O-])N2CCc3ccsc3C2)o1 ZINC000328834779 378431173 /nfs/dbraw/zinc/43/11/73/378431173.db2.gz LYGSRHBSDOMAHL-UHFFFAOYSA-N 0 1 263.322 2.648 20 30 CFEDMN Cc1n[nH]c(C(F)F)c1NC(=O)[C@H]1C[C@@]12CCOC2 ZINC000329662015 378476097 /nfs/dbraw/zinc/47/60/97/378476097.db2.gz OQYAFGUVDYUSMM-JMCQJSRRSA-N 0 1 271.267 2.670 20 30 CFEDMN Cc1cnn([C@@H]2CCCN(C([O-])=[NH+][C@@H]3CC[C@H](F)C3)C2)c1 ZINC000329687986 378480967 /nfs/dbraw/zinc/48/09/67/378480967.db2.gz AURAKXSOQSSSJC-BFHYXJOUSA-N 0 1 294.374 2.633 20 30 CFEDMN O=C(NC[C@@H]1CCCCS1)N[C@@H]1CCCc2cn[nH]c21 ZINC000329720564 378485955 /nfs/dbraw/zinc/48/59/55/378485955.db2.gz BSBCLBRTXYVBNF-NWDGAFQWSA-N 0 1 294.424 2.576 20 30 CFEDMN O=C(N[C@@H]1C=CCCC1)N1CCC(c2cnc[nH]2)CC1 ZINC000329782452 378494896 /nfs/dbraw/zinc/49/48/96/378494896.db2.gz UIDBLZUXMXTRCX-CYBMUJFWSA-N 0 1 274.368 2.612 20 30 CFEDMN Cc1cnn(CCNC([O-])=[NH+][C@@H]2CC[C@@H]3CCC[C@H]3C2)c1 ZINC000329786427 378496866 /nfs/dbraw/zinc/49/68/66/378496866.db2.gz XXJCWBGATGHXKA-SOUVJXGZSA-N 0 1 290.411 2.664 20 30 CFEDMN Cc1cnn(CC[NH+]=C([O-])N[C@@H]2CC[C@@H]3CCC[C@H]3C2)c1 ZINC000329786427 378496871 /nfs/dbraw/zinc/49/68/71/378496871.db2.gz XXJCWBGATGHXKA-SOUVJXGZSA-N 0 1 290.411 2.664 20 30 CFEDMN Cc1nc(C2(NCCCCC#N)CCCCC2)no1 ZINC000330426333 378551982 /nfs/dbraw/zinc/55/19/82/378551982.db2.gz GPMDMBBASVOSCH-UHFFFAOYSA-N 0 1 262.357 2.821 20 30 CFEDMN Cc1nc2cccc(C(=O)NC(C)(C)C(C)(C)CO)c2[nH]1 ZINC000330458812 378560296 /nfs/dbraw/zinc/56/02/96/378560296.db2.gz ZGESRMPZRKQHNC-UHFFFAOYSA-N 0 1 289.379 2.973 20 30 CFEDMN Cc1c(C(=O)[C@H](C#N)c2ccccn2)cnn1CC(C)C ZINC000155554804 378629750 /nfs/dbraw/zinc/62/97/50/378629750.db2.gz HSPUJQCPOGRDIK-CYBMUJFWSA-N 0 1 282.347 2.733 20 30 CFEDMN C=CC[C@@H]1CCCC[C@@H]1NC(=O)[C@@H]1C[C@H]1c1cnc[nH]1 ZINC000636156095 383730246 /nfs/dbraw/zinc/73/02/46/383730246.db2.gz IQNDANBFAAKXEX-SYQHCUMBSA-N 0 1 273.380 2.764 20 30 CFEDMN CC#CCCN(C)Cc1ccc(Br)o1 ZINC000155052185 378609831 /nfs/dbraw/zinc/60/98/31/378609831.db2.gz VNCQSDAMBQYVRX-UHFFFAOYSA-N 0 1 256.143 2.887 20 30 CFEDMN CC#CCN1CCC[C@@H](Nc2cc(OC)cc(OC)c2)C1 ZINC000155179242 378614869 /nfs/dbraw/zinc/61/48/69/378614869.db2.gz FHTOWCUPSMDDGU-CQSZACIVSA-N 0 1 288.391 2.603 20 30 CFEDMN CCC1(NC(=O)c2cc(O)cc([N+](=O)[O-])c2)CCOCC1 ZINC000331054598 378622376 /nfs/dbraw/zinc/62/23/76/378622376.db2.gz OFGPQTZPGMXOKY-UHFFFAOYSA-N 0 1 294.307 2.564 20 30 CFEDMN COc1ncccc1CNC1CC(C#N)(c2ccccc2)C1 ZINC000158471885 378669534 /nfs/dbraw/zinc/66/95/34/378669534.db2.gz BGTQDJRGPHMLPO-UHFFFAOYSA-N 0 1 293.370 2.804 20 30 CFEDMN C=CCNC(=O)CN1CCCCC[C@@H]1c1ccc(C)o1 ZINC000158665048 378671941 /nfs/dbraw/zinc/67/19/41/378671941.db2.gz IFDAAZHIRFZCPC-CQSZACIVSA-N 0 1 276.380 2.807 20 30 CFEDMN C=C(C)C[N@H+](CC)Cc1cc2c(c(OC)c1)OCO2 ZINC000158987515 378678443 /nfs/dbraw/zinc/67/84/43/378678443.db2.gz ZLQAWEBRTGRDBH-UHFFFAOYSA-N 0 1 263.337 2.822 20 30 CFEDMN C=CC[C@H]1CCCC[C@@H]1NC(=O)[C@@H]1C[C@H]1c1cnc[nH]1 ZINC000636156093 383730849 /nfs/dbraw/zinc/73/08/49/383730849.db2.gz IQNDANBFAAKXEX-DGAVXFQQSA-N 0 1 273.380 2.764 20 30 CFEDMN CC#CCN1CCCC[C@H]1CNC(=O)Nc1ccccc1 ZINC000159048822 378681471 /nfs/dbraw/zinc/68/14/71/378681471.db2.gz FNXREVOQKXCKMW-INIZCTEOSA-N 0 1 285.391 2.686 20 30 CFEDMN C[C@H](O)[C@H]1C[C@H](C)CCN1Cc1cn2ccccc2c1C#N ZINC000332239702 378740230 /nfs/dbraw/zinc/74/02/30/378740230.db2.gz OZWVESNXWCRGMM-QWQRMKEZSA-N 0 1 297.402 2.792 20 30 CFEDMN C[C@@H]1CC[C@H](C)N1Cc1nnc(-c2cccc(C#N)c2)o1 ZINC000332125651 378728178 /nfs/dbraw/zinc/72/81/78/378728178.db2.gz MITROFHFZQKWKQ-TXEJJXNPSA-N 0 1 282.347 2.981 20 30 CFEDMN N#CC(C(=O)c1csc([C@H]2CCCO2)n1)c1ccccn1 ZINC000165463626 379040356 /nfs/dbraw/zinc/04/03/56/379040356.db2.gz YXTMCGWDOUXLBY-ZWNOBZJWSA-N 0 1 299.355 2.880 20 30 CFEDMN N#C[C@@H](C(=O)c1csc([C@H]2CCCO2)n1)c1ccccn1 ZINC000165463626 379040357 /nfs/dbraw/zinc/04/03/57/379040357.db2.gz YXTMCGWDOUXLBY-ZWNOBZJWSA-N 0 1 299.355 2.880 20 30 CFEDMN CC1(C)[C@@H](O)CCN1Cc1ccc(C#N)cc1Cl ZINC000335312413 379063510 /nfs/dbraw/zinc/06/35/10/379063510.db2.gz WJOZEEJGJZWRHY-ZDUSSCGKSA-N 0 1 264.756 2.557 20 30 CFEDMN C#CCCCN[C@H](C)c1nc(Cc2ccccc2)no1 ZINC000266543361 190265375 /nfs/dbraw/zinc/26/53/75/190265375.db2.gz HIFMTFLGBIHPDS-CYBMUJFWSA-N 0 1 269.348 2.724 20 30 CFEDMN CCN(CC)[C@@H](C(=O)N1CCC(C#N)CC1)c1ccccc1 ZINC000171680258 379369209 /nfs/dbraw/zinc/36/92/09/379369209.db2.gz YBDYBKIHMVFEKA-QGZVFWFLSA-N 0 1 299.418 2.832 20 30 CFEDMN CC(=O)N1CC[N@@H+](CCC(C)(C)C#N)CC12CCCCC2 ZINC000334478103 379369696 /nfs/dbraw/zinc/36/96/96/379369696.db2.gz QZHMCFUGCSPGFS-UHFFFAOYSA-N 0 1 291.439 2.793 20 30 CFEDMN C[C@H]1C[N@@H+](CCC2(C#N)CCCCC2)CC[C@@H]1O ZINC000334542017 379491450 /nfs/dbraw/zinc/49/14/50/379491450.db2.gz SRJSJEZHELTIJW-KBPBESRZSA-N 0 1 250.386 2.553 20 30 CFEDMN C=CCCO[C@H](C)C(=O)Nc1cccc(Cl)c1O ZINC000172111047 379496110 /nfs/dbraw/zinc/49/61/10/379496110.db2.gz XXDKDOYAWDWERS-SECBINFHSA-N 0 1 269.728 2.965 20 30 CFEDMN Cc1ncc(C(=O)N2CC=C(c3ccc(C#N)cc3)CC2)[nH]1 ZINC000335668518 379689335 /nfs/dbraw/zinc/68/93/35/379689335.db2.gz DXHPVRUUMQGNOW-UHFFFAOYSA-N 0 1 292.342 2.519 20 30 CFEDMN Cc1cc(CN2CCCc3c(cnn3C)C2)ccc1C#N ZINC000334644416 379695433 /nfs/dbraw/zinc/69/54/33/379695433.db2.gz AUTHFDIVGJLOKJ-UHFFFAOYSA-N 0 1 280.375 2.549 20 30 CFEDMN CO[C@@H]1CCN(Cc2cc(C#N)ccc2F)C[C@@H]1C ZINC000334687627 379768183 /nfs/dbraw/zinc/76/81/83/379768183.db2.gz BZLYOEGRZOGEFI-XHDPSFHLSA-N 0 1 262.328 2.554 20 30 CFEDMN Cn1cc(CN2CC[C@@H]2c2ccccc2)cc1C#N ZINC000335815772 379936367 /nfs/dbraw/zinc/93/63/67/379936367.db2.gz DQZAVTSAYHWGTJ-MRXNPFEDSA-N 0 1 251.333 2.844 20 30 CFEDMN N#CC1(CN2CCSC[C@H]2C2CCC2)CCC1 ZINC000335192963 379994019 /nfs/dbraw/zinc/99/40/19/379994019.db2.gz GUEXPLIRZJCPGF-ZDUSSCGKSA-N 0 1 250.411 2.898 20 30 CFEDMN C=CCCCC(=O)NC[C@H](c1cccc(OC)c1)N(C)C ZINC000175096524 379995676 /nfs/dbraw/zinc/99/56/76/379995676.db2.gz IFIYEMWIRWFNFB-MRXNPFEDSA-N 0 1 290.407 2.770 20 30 CFEDMN Cn1cc(C#N)cc1C(=O)Nc1cccc(Cl)c1O ZINC000176145443 380185861 /nfs/dbraw/zinc/18/58/61/380185861.db2.gz IMYIPIHAYKYNSD-UHFFFAOYSA-N 0 1 275.695 2.508 20 30 CFEDMN CC[C@@H](C)N(C)CC(=O)Nc1sc(C)c(C)c1C#N ZINC000177276499 380326035 /nfs/dbraw/zinc/32/60/35/380326035.db2.gz BYBNHSKRMCLZJI-SECBINFHSA-N 0 1 279.409 2.905 20 30 CFEDMN COC(=O)[C@]1(C)CC[N@H+]([C@@H](C)c2ccc(C#N)cc2)C1 ZINC000177457216 380344619 /nfs/dbraw/zinc/34/46/19/380344619.db2.gz WEXSMXDSRKIPNL-BLLLJJGKSA-N 0 1 272.348 2.504 20 30 CFEDMN C[C@@H](NCc1ccc(OCC#N)cc1)c1cncc(F)c1 ZINC000180547759 380674481 /nfs/dbraw/zinc/67/44/81/380674481.db2.gz OXYCRRJCWJZPAL-GFCCVEGCSA-N 0 1 285.322 2.974 20 30 CFEDMN Cc1nc(NCCN2CCCCC2)c(Cl)cc1C#N ZINC000336815488 380676767 /nfs/dbraw/zinc/67/67/67/380676767.db2.gz HTHKDMRJCJTYGM-UHFFFAOYSA-N 0 1 278.787 2.813 20 30 CFEDMN CCCN(Cc1n[nH]c(C2CC2)n1)Cc1ccc(C#N)cc1 ZINC000180408946 380652699 /nfs/dbraw/zinc/65/26/99/380652699.db2.gz GVGNNNYRUHJBLX-UHFFFAOYSA-N 0 1 295.390 2.966 20 30 CFEDMN C=CC[C@@H](CO)CNCc1csc(C(C)(C)C)n1 ZINC000341253278 380866476 /nfs/dbraw/zinc/86/64/76/380866476.db2.gz BGXTYEONUOIWRE-LLVKDONJSA-N 0 1 268.426 2.715 20 30 CFEDMN N#Cc1cc(CN[C@H](CCO)c2ccccc2)ccc1F ZINC000341219931 380839059 /nfs/dbraw/zinc/83/90/59/380839059.db2.gz LUQMQNDOBIRYSV-QGZVFWFLSA-N 0 1 284.334 2.911 20 30 CFEDMN Cc1cc(C#N)cc(N[C@H]2CN(C)Cc3ccccc32)n1 ZINC000367826637 380840556 /nfs/dbraw/zinc/84/05/56/380840556.db2.gz OYAPTLLZWCNDHF-INIZCTEOSA-N 0 1 278.359 2.860 20 30 CFEDMN C[C@H](NCc1ccn(C)c1)c1ccc(C#N)cc1F ZINC000358563397 380929987 /nfs/dbraw/zinc/92/99/87/380929987.db2.gz WLAWOVYTZVNQIY-NSHDSACASA-N 0 1 257.312 2.887 20 30 CFEDMN CC(C)n1cncc1CNCc1ccc(C#N)c(F)c1 ZINC000404167030 380903411 /nfs/dbraw/zinc/90/34/11/380903411.db2.gz TXMLXVSIBFLNOG-UHFFFAOYSA-N 0 1 272.327 2.765 20 30 CFEDMN C[C@@H](CC#N)N(C)CCCCC(=O)OC(C)(C)C ZINC000182003527 380961897 /nfs/dbraw/zinc/96/18/97/380961897.db2.gz QQKXTSJYEGGTDI-LBPRGKRZSA-N 0 1 254.374 2.732 20 30 CFEDMN C=C(CC)CN(C)[C@@H]1CCN(c2ccccc2)C1=O ZINC000358621050 380974643 /nfs/dbraw/zinc/97/46/43/380974643.db2.gz RDCYJZLJLNKRCD-OAHLLOKOSA-N 0 1 258.365 2.690 20 30 CFEDMN C=C(CC)CN1CCN(Cc2ccc(OC)c(F)c2)CC1 ZINC000358622524 380975144 /nfs/dbraw/zinc/97/51/44/380975144.db2.gz DSNLODZIKRDHJH-UHFFFAOYSA-N 0 1 292.398 2.918 20 30 CFEDMN C[C@@H](NCCOCC(F)(F)F)c1ccc(C#N)cc1F ZINC000358575263 380941107 /nfs/dbraw/zinc/94/11/07/380941107.db2.gz SBWBBZVHAJKIMY-SECBINFHSA-N 0 1 290.260 2.927 20 30 CFEDMN C[C@H](NCc1ccc(C(N)=O)cc1)c1ccc(C#N)cc1F ZINC000358578772 380944732 /nfs/dbraw/zinc/94/47/32/380944732.db2.gz WONDNRNIKHULDH-NSHDSACASA-N 0 1 297.333 2.647 20 30 CFEDMN C=C(CC)CN1CCN(c2cccc(OC)c2)CC1 ZINC000358636145 380984624 /nfs/dbraw/zinc/98/46/24/380984624.db2.gz UOAOGXGJPRWYGS-UHFFFAOYSA-N 0 1 260.381 2.783 20 30 CFEDMN C[C@@H]1CN(C(=O)C[C@H](CC#N)c2ccccc2)C[C@@H](C)N1C ZINC000358681503 381012194 /nfs/dbraw/zinc/01/21/94/381012194.db2.gz IFAVOFMINDZSBW-INMHGKMJSA-N 0 1 299.418 2.625 20 30 CFEDMN C=CCN(Cc1ccc(OC)cc1)[C@H](C)c1n[nH]c(C)n1 ZINC000411179320 381014828 /nfs/dbraw/zinc/01/48/28/381014828.db2.gz OJCWGNZOIYWYFU-GFCCVEGCSA-N 0 1 286.379 2.871 20 30 CFEDMN COC(=O)[C@H]1CCN(Cc2ccc(C#N)cc2Cl)[C@H]1C ZINC000347229654 381015802 /nfs/dbraw/zinc/01/58/02/381015802.db2.gz XNQKVSFFZJTUFW-GWCFXTLKSA-N 0 1 292.766 2.595 20 30 CFEDMN N#CC1(CCN2CCOC3(CCOCC3)C2)CCCCC1 ZINC000411325707 381023704 /nfs/dbraw/zinc/02/37/04/381023704.db2.gz OPOJKGWJESFIRC-UHFFFAOYSA-N 0 1 292.423 2.732 20 30 CFEDMN C=C[C@@H](CO)N[C@@H](C)c1cnn(-c2cc(C)ccc2C)c1C ZINC000289614681 381067809 /nfs/dbraw/zinc/06/78/09/381067809.db2.gz DFYFQJVCMQUJEV-HOCLYGCPSA-N 0 1 299.418 2.995 20 30 CFEDMN C=C[C@H](CO)N[C@H](C)c1cc(Cl)ccc1OCC ZINC000289729105 381123576 /nfs/dbraw/zinc/12/35/76/381123576.db2.gz JZRGXQPMRLLEKM-ZYHUDNBSSA-N 0 1 269.772 2.936 20 30 CFEDMN C=C[C@@H](CO)NCc1ccc(Cl)c(C(F)(F)F)c1 ZINC000289792178 381159786 /nfs/dbraw/zinc/15/97/86/381159786.db2.gz KEVHOEHZYAPLIO-VIFPVBQESA-N 0 1 279.689 2.995 20 30 CFEDMN COc1cc(C[N@H+]2CC[C@@H](C3CC3)C2)ccc1C#N ZINC000369111472 381195447 /nfs/dbraw/zinc/19/54/47/381195447.db2.gz HDXOCHCKGODCIC-OAHLLOKOSA-N 0 1 256.349 2.799 20 30 CFEDMN C=CCCN(C)C(=O)NCc1nc2cccc(C)c2[nH]1 ZINC000342172377 381218396 /nfs/dbraw/zinc/21/83/96/381218396.db2.gz ACYIVGUITBSKIK-UHFFFAOYSA-N 0 1 272.352 2.589 20 30 CFEDMN CC(C)N1CCN(C(=O)C[C@@H](CC#N)c2ccccc2)CC1 ZINC000354315599 381198565 /nfs/dbraw/zinc/19/85/65/381198565.db2.gz DMSSACIFOORONB-QGZVFWFLSA-N 0 1 299.418 2.627 20 30 CFEDMN C#Cc1ccc(CN2CCC[C@@H]2[C@@H](O)C(F)(F)F)cc1 ZINC000289966084 381240355 /nfs/dbraw/zinc/24/03/55/381240355.db2.gz IWHMOJGIFDLGRT-ZIAGYGMSSA-N 0 1 283.293 2.556 20 30 CFEDMN C[C@H](C#N)CN(C)C(=O)[C@@H]1CCCCN1Cc1ccccc1 ZINC000342424825 381324835 /nfs/dbraw/zinc/32/48/35/381324835.db2.gz NEEQGGFRVLNLQL-WBVHZDCISA-N 0 1 299.418 2.659 20 30 CFEDMN C#CCC(C)(C)C(=O)Nc1nc(-c2ccc(C)cc2)n[nH]1 ZINC000183835207 381328162 /nfs/dbraw/zinc/32/81/62/381328162.db2.gz SPFCPWPMFOHPGZ-UHFFFAOYSA-N 0 1 282.347 2.768 20 30 CFEDMN CC[C@@H](CC#N)NC(=O)[C@@H]1CCCCN1Cc1ccccc1 ZINC000183859586 381329971 /nfs/dbraw/zinc/32/99/71/381329971.db2.gz VMMAIOPTUZCCOT-IRXDYDNUSA-N 0 1 299.418 2.850 20 30 CFEDMN C#C[C@@H](NCc1c(C)nc2sc(C)nn12)C(C)(C)C ZINC000290198386 381339190 /nfs/dbraw/zinc/33/91/90/381339190.db2.gz PIURLIPVJZWIHH-GFCCVEGCSA-N 0 1 276.409 2.545 20 30 CFEDMN C[C@@H]1[C@H](O)CCC[N@H+]1CC#Cc1cccc(Cl)c1 ZINC000296235901 381313946 /nfs/dbraw/zinc/31/39/46/381313946.db2.gz NGPMKARQYDOWRN-IUODEOHRSA-N 0 1 263.768 2.537 20 30 CFEDMN C[C@@H]1[C@H](O)CCCN1CC#Cc1cccc(Cl)c1 ZINC000296235901 381313950 /nfs/dbraw/zinc/31/39/50/381313950.db2.gz NGPMKARQYDOWRN-IUODEOHRSA-N 0 1 263.768 2.537 20 30 CFEDMN CC[C@H](CO)N(Cc1ccccc1)CC1(C#N)CC1 ZINC000342635438 381447885 /nfs/dbraw/zinc/44/78/85/381447885.db2.gz KMXLZVOMSUCUED-OAHLLOKOSA-N 0 1 258.365 2.563 20 30 CFEDMN C=CCOCCCN1CCc2cc(OC)c(F)cc2C1 ZINC000348048799 381456299 /nfs/dbraw/zinc/45/62/99/381456299.db2.gz NWNWHEHZWJEIJT-UHFFFAOYSA-N 0 1 279.355 2.785 20 30 CFEDMN C=CCOCCCN1CCc2c(ncn2-c2ccccc2)C1 ZINC000348048041 381456425 /nfs/dbraw/zinc/45/64/25/381456425.db2.gz HCHJGYZOQACKKY-UHFFFAOYSA-N 0 1 297.402 2.823 20 30 CFEDMN C=CCCN(C)[C@@H](C)C(=O)Nc1c(F)cccc1F ZINC000342730787 381505896 /nfs/dbraw/zinc/50/58/96/381505896.db2.gz ZHDGAJMRBOHDIF-JTQLQIEISA-N 0 1 268.307 2.800 20 30 CFEDMN C=CCCN(C)CC(=O)Nc1ccc(SC)cc1 ZINC000342734300 381507257 /nfs/dbraw/zinc/50/72/57/381507257.db2.gz JPBLVGYWZSEWAN-UHFFFAOYSA-N 0 1 264.394 2.855 20 30 CFEDMN C=CCCN(C)[C@H](C)C(=O)N1c2ccccc2C[C@@H]1C ZINC000342734057 381507628 /nfs/dbraw/zinc/50/76/28/381507628.db2.gz GNXDRARHXCDFJB-UONOGXRCSA-N 0 1 272.392 2.861 20 30 CFEDMN C=CCCN(C)CC(=O)NCCc1ccc(Cl)cc1 ZINC000342738206 381510061 /nfs/dbraw/zinc/51/00/61/381510061.db2.gz UBTCEVUXPOCIMY-UHFFFAOYSA-N 0 1 280.799 2.507 20 30 CFEDMN C=CCCN(C)[C@@H](C)C(=O)Nc1cc(C)ccc1OC ZINC000342754607 381519567 /nfs/dbraw/zinc/51/95/67/381519567.db2.gz AUAFDJBDILQPEO-ZDUSSCGKSA-N 0 1 276.380 2.839 20 30 CFEDMN N#CC(C(=O)c1csc(Cl)c1)c1ccncn1 ZINC000342701470 381488339 /nfs/dbraw/zinc/48/83/39/381488339.db2.gz NDXGTNAAMLUBOH-MRVPVSSYSA-N 0 1 263.709 2.682 20 30 CFEDMN N#C[C@@H](c1cccc(Cl)c1)N1CCN(CC2CC2)CC1 ZINC000348317457 381502990 /nfs/dbraw/zinc/50/29/90/381502990.db2.gz APUSXYKDNRNYQC-INIZCTEOSA-N 0 1 289.810 2.932 20 30 CFEDMN C=CCCN(C)CC(=O)Nc1ccc2c(c1)CCC2 ZINC000342764028 381523068 /nfs/dbraw/zinc/52/30/68/381523068.db2.gz IKQHEMDTJRTJQW-UHFFFAOYSA-N 0 1 258.365 2.622 20 30 CFEDMN CC(C)C[C@H](CO)N(C)Cc1cc(C#N)ccc1F ZINC000185367227 381613204 /nfs/dbraw/zinc/61/32/04/381613204.db2.gz QHHPFEWTXVDANB-CQSZACIVSA-N 0 1 264.344 2.536 20 30 CFEDMN C=C(CC)CN[C@H](C)c1cn(-c2ccccc2)nn1 ZINC000348537876 381616730 /nfs/dbraw/zinc/61/67/30/381616730.db2.gz ZATNJZOOSJZMKD-CYBMUJFWSA-N 0 1 256.353 2.884 20 30 CFEDMN C=C(CC)CN[C@@H](C)c1cn(-c2ccccc2)nn1 ZINC000348537877 381617677 /nfs/dbraw/zinc/61/76/77/381617677.db2.gz ZATNJZOOSJZMKD-ZDUSSCGKSA-N 0 1 256.353 2.884 20 30 CFEDMN CN(Cc1cc(C#N)ccc1F)C[C@@H](O)Cc1ccccc1 ZINC000298442570 381627437 /nfs/dbraw/zinc/62/74/37/381627437.db2.gz DCMBFUVYCDMTFK-KRWDZBQOSA-N 0 1 298.361 2.733 20 30 CFEDMN N#CC1(CN(CCO)[C@@H]2CCCc3ccccc32)CC1 ZINC000343301336 381674804 /nfs/dbraw/zinc/67/48/04/381674804.db2.gz JKPLCSAXUGSSJZ-MRXNPFEDSA-N 0 1 270.376 2.662 20 30 CFEDMN C#CCONC(=O)[C@@H](C)c1ccc(Cl)c(Cl)c1 ZINC000291166966 381693496 /nfs/dbraw/zinc/69/34/96/381693496.db2.gz DETLATAEEPBNSU-QMMMGPOBSA-N 0 1 272.131 2.778 20 30 CFEDMN N#CCCCC[N@H+]1CCO[C@H](C2CCCCC2)C1 ZINC000371789914 381702065 /nfs/dbraw/zinc/70/20/65/381702065.db2.gz UYKBLAPQJQODSE-HNNXBMFYSA-N 0 1 250.386 2.961 20 30 CFEDMN N#Cc1cc(CN2CCC(n3cccn3)CC2)ccc1F ZINC000371960176 381727397 /nfs/dbraw/zinc/72/73/97/381727397.db2.gz RBUMUFAUXNWFQZ-UHFFFAOYSA-N 0 1 284.338 2.731 20 30 CFEDMN C=C(C)C[C@@H](C)C(=O)NCCN(C)Cc1ccc(F)cc1 ZINC000185776440 381730979 /nfs/dbraw/zinc/73/09/79/381730979.db2.gz HAJUPJHIOWFZTP-CQSZACIVSA-N 0 1 292.398 2.976 20 30 CFEDMN C=CCCN(C)Cc1nc2c(s1)CN(C(C)C)CC2 ZINC000343489341 381749039 /nfs/dbraw/zinc/74/90/39/381749039.db2.gz KXNQDABSDYCEJI-UHFFFAOYSA-N 0 1 279.453 2.918 20 30 CFEDMN C=CCN(CC=C)C(=O)CN[C@@H](C)c1ccccc1OC ZINC000298713968 381721200 /nfs/dbraw/zinc/72/12/00/381721200.db2.gz XYWHQXJRVCXBNJ-AWEZNQCLSA-N 0 1 288.391 2.546 20 30 CFEDMN C=CCN(CCc1ccco1)C[C@@](C)(O)C(F)(F)F ZINC000298723313 381725347 /nfs/dbraw/zinc/72/53/47/381725347.db2.gz BGUZEBMVNRICMP-GFCCVEGCSA-N 0 1 277.286 2.623 20 30 CFEDMN CC#CCCN1Cc2ccccc2[C@@H](C(=O)OCC)C1 ZINC000360466464 381781381 /nfs/dbraw/zinc/78/13/81/381781381.db2.gz HGKHTKSIVPQSNN-INIZCTEOSA-N 0 1 271.360 2.562 20 30 CFEDMN C=CCOCCCC(=O)Nc1c(C)n[nH]c1C(F)F ZINC000355616597 381787093 /nfs/dbraw/zinc/78/70/93/381787093.db2.gz IHISNAZUYVAKMV-UHFFFAOYSA-N 0 1 273.283 2.577 20 30 CFEDMN Clc1ccc(C#CCN2CC[C@@H](n3cccn3)C2)cc1 ZINC000291635911 381767782 /nfs/dbraw/zinc/76/77/82/381767782.db2.gz DLAWFPGABHXKOA-MRXNPFEDSA-N 0 1 285.778 2.835 20 30 CFEDMN CC[C@@](C)(C#N)C(=O)N(C)Cc1cc(C(C)(C)C)[nH]n1 ZINC000355543558 381780412 /nfs/dbraw/zinc/78/04/12/381780412.db2.gz HIEPZEFWLFHNIM-HNNXBMFYSA-N 0 1 276.384 2.605 20 30 CFEDMN Cc1nc(N[C@@H]2C[C@H](C)N(C3CC3)C2)c(Cl)cc1C#N ZINC000292726953 381820500 /nfs/dbraw/zinc/82/05/00/381820500.db2.gz UHTCVCHMHLPVTR-JOYOIKCWSA-N 0 1 290.798 2.952 20 30 CFEDMN C=CCN1CC[C@@H](N(C)Cc2ccc(C)c(Cl)c2)C1=O ZINC000343614343 381842332 /nfs/dbraw/zinc/84/23/32/381842332.db2.gz PKBWWVXIUIQFGH-OAHLLOKOSA-N 0 1 292.810 2.867 20 30 CFEDMN N#Cc1ccc(CN2CCCC[C@H]2Cn2cccn2)c(F)c1 ZINC000372609237 381844122 /nfs/dbraw/zinc/84/41/22/381844122.db2.gz SOLOMWLTQJRIKE-INIZCTEOSA-N 0 1 298.365 2.949 20 30 CFEDMN C=C(Br)CSc1nc(C2CC2)n[nH]1 ZINC000299090449 381819373 /nfs/dbraw/zinc/81/93/73/381819373.db2.gz TTXOMBGRRGOLBT-UHFFFAOYSA-N 0 1 260.160 2.683 20 30 CFEDMN C=C(Br)CSc1n[nH]c(C2CC2)n1 ZINC000299090449 381819377 /nfs/dbraw/zinc/81/93/77/381819377.db2.gz TTXOMBGRRGOLBT-UHFFFAOYSA-N 0 1 260.160 2.683 20 30 CFEDMN CC[C@@H](C(=O)N[C@H](C#N)C(C)C)N(C)Cc1ccccc1 ZINC000343637153 381859276 /nfs/dbraw/zinc/85/92/76/381859276.db2.gz XTEHUKMQJNGFQA-CVEARBPZSA-N 0 1 287.407 2.561 20 30 CFEDMN C#CCCN(C)Cc1ccc(Br)s1 ZINC000299209872 381860107 /nfs/dbraw/zinc/86/01/07/381860107.db2.gz BZPQOQPCFZXMBQ-UHFFFAOYSA-N 0 1 258.184 2.966 20 30 CFEDMN N#CC(C(=O)c1cc2[nH]ccc2s1)c1ccncn1 ZINC000361792685 381863853 /nfs/dbraw/zinc/86/38/53/381863853.db2.gz PLLSABFICFBUIM-QMMMGPOBSA-N 0 1 268.301 2.509 20 30 CFEDMN N#CCc1ccc(CN[C@H](CO)c2ccc(F)cc2)cc1 ZINC000343697381 381895166 /nfs/dbraw/zinc/89/51/66/381895166.db2.gz SGXGRWVIHNFPPB-QGZVFWFLSA-N 0 1 284.334 2.715 20 30 CFEDMN CC(C)[C@H]1CN(Cc2ccc(CC#N)cc2)CCO1 ZINC000343761803 381929650 /nfs/dbraw/zinc/92/96/50/381929650.db2.gz UDWWIAIDZMBJSS-MRXNPFEDSA-N 0 1 258.365 2.609 20 30 CFEDMN CCCN(CC)CC(=O)Nc1cc(Cl)ccc1C#N ZINC000299341579 381904231 /nfs/dbraw/zinc/90/42/31/381904231.db2.gz DVLNLAYRPBPQAE-UHFFFAOYSA-N 0 1 279.771 2.882 20 30 CFEDMN C=C(C)C[C@@H](C)C(=O)Nc1nc(-c2ccc(C)o2)n[nH]1 ZINC000186440020 381911255 /nfs/dbraw/zinc/91/12/55/381911255.db2.gz SVUZBNAJOTURMS-SECBINFHSA-N 0 1 274.324 2.914 20 30 CFEDMN C=CC[C@H](CO)N[C@@H](C)c1csc(C(C)C)n1 ZINC000186503643 381930645 /nfs/dbraw/zinc/93/06/45/381930645.db2.gz PTISZDFILCEPPE-WDEREUQCSA-N 0 1 254.399 2.854 20 30 CFEDMN CCCNC(=O)CN(CCC)[C@@H](C)c1ccc(C#N)cc1 ZINC000299412526 381930916 /nfs/dbraw/zinc/93/09/16/381930916.db2.gz PLRUYBVQJKNRGY-AWEZNQCLSA-N 0 1 287.407 2.857 20 30 CFEDMN N#CCC[C@H](C#N)CN1CCC[C@H](C[C@@H]2CCOC2)C1 ZINC000373143709 381936466 /nfs/dbraw/zinc/93/64/66/381936466.db2.gz XYJCQOFKMJYBRL-OWCLPIDISA-N 0 1 275.396 2.569 20 30 CFEDMN N#Cc1ccsc1C(=O)Nc1ccccc1-c1nnc[nH]1 ZINC000373153027 381937556 /nfs/dbraw/zinc/93/75/56/381937556.db2.gz OJBKNFIFEBHMDZ-UHFFFAOYSA-N 0 1 295.327 2.657 20 30 CFEDMN C=CCN(CC=C)C(=O)CN1C[C@H](C)C[C@H]1c1cccnc1 ZINC000373412210 381998768 /nfs/dbraw/zinc/99/87/68/381998768.db2.gz JIXOJALIOKDVOR-WBVHZDCISA-N 0 1 299.418 2.665 20 30 CFEDMN CC(C)[C@H]1CN(Cc2ccc(F)c(C#N)c2)CCCO1 ZINC000293084224 381983147 /nfs/dbraw/zinc/98/31/47/381983147.db2.gz JWZXBMNBVZJWKB-MRXNPFEDSA-N 0 1 276.355 2.944 20 30 CFEDMN C#CCN1CCC(C(=O)N2C[C@@H]3CCCCCC[C@@H]32)CC1 ZINC000374584981 382050470 /nfs/dbraw/zinc/05/04/70/382050470.db2.gz JREUIESKDBEOPY-IRXDYDNUSA-N 0 1 288.435 2.513 20 30 CFEDMN C=C(C)CCN(C)CC(=O)Nc1cc(F)cc(F)c1 ZINC000351872550 382067457 /nfs/dbraw/zinc/06/74/57/382067457.db2.gz DPRVPSXQXSSWDW-UHFFFAOYSA-N 0 1 268.307 2.801 20 30 CFEDMN C=CCC(CC=C)C(=O)Nc1nc(-c2ccccn2)n[nH]1 ZINC000343928593 382025029 /nfs/dbraw/zinc/02/50/29/382025029.db2.gz PAIYCGLMKMWQAG-UHFFFAOYSA-N 0 1 283.335 2.574 20 30 CFEDMN CN(CCOCc1ccc(C#N)cc1)Cc1ccncc1 ZINC000344069908 382106852 /nfs/dbraw/zinc/10/68/52/382106852.db2.gz LPLSKHKIEKDHNB-UHFFFAOYSA-N 0 1 281.359 2.602 20 30 CFEDMN C[C@@H](C(=O)Nc1cccc(C#N)c1)N1CCCC2(CC2)C1 ZINC000186996138 382071706 /nfs/dbraw/zinc/07/17/06/382071706.db2.gz BDGARSNJUHKTSW-ZDUSSCGKSA-N 0 1 283.375 2.761 20 30 CFEDMN C#CC(C)(C)N(C)[C@H]1CCCN(Cc2ccccc2)C1=O ZINC000375701445 382095867 /nfs/dbraw/zinc/09/58/67/382095867.db2.gz NSFUYWROGNQNSJ-INIZCTEOSA-N 0 1 284.403 2.521 20 30 CFEDMN N#Cc1cccc(OCCC[N@H+]2CCC23CCC3)c1 ZINC000357311583 382101401 /nfs/dbraw/zinc/10/14/01/382101401.db2.gz XBUMAHUMWHAJCW-UHFFFAOYSA-N 0 1 256.349 2.956 20 30 CFEDMN C=CCC(C)(C)C(=O)NCCc1nnc(-c2ccccc2)[nH]1 ZINC000293466713 382134933 /nfs/dbraw/zinc/13/49/33/382134933.db2.gz KIGMNDPFYJZGBJ-UHFFFAOYSA-N 0 1 298.390 2.733 20 30 CFEDMN COC1CC(N(C)Cc2ccc(C#N)cc2OC(F)F)C1 ZINC000352231090 382237555 /nfs/dbraw/zinc/23/75/55/382237555.db2.gz OUHGDJMQJYXPMH-UHFFFAOYSA-N 0 1 296.317 2.769 20 30 CFEDMN CN(Cc1ccc(C#N)cc1OC(F)F)[C@H]1CCCOC1 ZINC000352210059 382228426 /nfs/dbraw/zinc/22/84/26/382228426.db2.gz DUWDXIUEAMUNBE-ZDUSSCGKSA-N 0 1 296.317 2.770 20 30 CFEDMN Cc1cccc2nc([C@@H](C#N)C(=O)c3ccn(C)c3)[nH]c21 ZINC000357655078 382266895 /nfs/dbraw/zinc/26/68/95/382266895.db2.gz HXWLYDKNDWUPCH-LBPRGKRZSA-N 0 1 278.315 2.700 20 30 CFEDMN C#CCCN1CCN(Cc2ccc(C(C)C)nc2C)CC1 ZINC000293775881 382273276 /nfs/dbraw/zinc/27/32/76/382273276.db2.gz LHRDQLZFMUHSEF-UHFFFAOYSA-N 0 1 285.435 2.654 20 30 CFEDMN C#CCOc1ccc([C@H](C)NCc2snnc2C)cc1 ZINC000293908103 382332023 /nfs/dbraw/zinc/33/20/23/382332023.db2.gz ZXWOKCRRFZZNGD-NSHDSACASA-N 0 1 287.388 2.709 20 30 CFEDMN C=C[C@@H](CC(=O)N1C[C@@H](C)N(C)[C@@H](C)C1)c1ccccc1 ZINC000293928657 382340843 /nfs/dbraw/zinc/34/08/43/382340843.db2.gz HRNDPVWZOQGPOY-XHSDSOJGSA-N 0 1 286.419 2.897 20 30 CFEDMN COC1(C(F)(F)F)CCN([C@H](C)CCC#N)CC1 ZINC000419351155 382294765 /nfs/dbraw/zinc/29/47/65/382294765.db2.gz OQYKDKLUKGNOMW-SNVBAGLBSA-N 0 1 264.291 2.722 20 30 CFEDMN CCC[C@]1(CO)CCN(Cc2ccc(C#N)c(F)c2)C1 ZINC000377602246 382300000 /nfs/dbraw/zinc/30/00/00/382300000.db2.gz CHDCBTFCWLJRII-INIZCTEOSA-N 0 1 276.355 2.682 20 30 CFEDMN C=C[C@@H](CO)NCc1ccc(-c2c(F)cccc2F)o1 ZINC000352482232 382357642 /nfs/dbraw/zinc/35/76/42/382357642.db2.gz SOLCYQNSZDHEAB-JTQLQIEISA-N 0 1 279.286 2.861 20 30 CFEDMN CCN(CCC#N)C(=O)CN(Cc1ccccc1C)C1CC1 ZINC000346477295 382377960 /nfs/dbraw/zinc/37/79/60/382377960.db2.gz VKFCHMAVGQMDFD-UHFFFAOYSA-N 0 1 299.418 2.722 20 30 CFEDMN Cc1nc2ccc(NC(=O)c3ccc(C#N)c(O)c3)cc2o1 ZINC000188258835 382378491 /nfs/dbraw/zinc/37/84/91/382378491.db2.gz COFNMQLXHQGLAR-UHFFFAOYSA-N 0 1 293.282 2.966 20 30 CFEDMN C=C[C@@H](CO)NCc1cnc(-c2ccsc2)s1 ZINC000352465172 382347831 /nfs/dbraw/zinc/34/78/31/382347831.db2.gz FGJZOCCMLQRZGP-JTQLQIEISA-N 0 1 266.391 2.508 20 30 CFEDMN N#Cc1ccc2ncc(CN3C[C@H]4CCCCC[C@H]43)n2c1 ZINC000378344745 382440952 /nfs/dbraw/zinc/44/09/52/382440952.db2.gz CFWDWBQOMSDBPM-GDBMZVCRSA-N 0 1 280.375 2.970 20 30 CFEDMN CC1(C#N)CCN(CCOCC(F)(F)C(F)F)CC1 ZINC000346541286 382403189 /nfs/dbraw/zinc/40/31/89/382403189.db2.gz DPPGGUKFQMFVAO-UHFFFAOYSA-N 0 1 282.281 2.529 20 30 CFEDMN Cc1ccc(C#N)cc1NC(=O)c1ccc(C#N)c(O)c1 ZINC000188393031 382405038 /nfs/dbraw/zinc/40/50/38/382405038.db2.gz GFPHUNGLVLBXPQ-UHFFFAOYSA-N 0 1 277.283 2.696 20 30 CFEDMN COc1ccc(NC(=O)c2ccc(C#N)c(O)c2)c(C)c1 ZINC000188423589 382411189 /nfs/dbraw/zinc/41/11/89/382411189.db2.gz LQUABAPGQUDSJE-UHFFFAOYSA-N 0 1 282.299 2.833 20 30 CFEDMN C=CCCC[C@H](C)N1C[C@H](C)[S@](=O)[C@@H](CC)C1 ZINC000352892870 382481263 /nfs/dbraw/zinc/48/12/63/382481263.db2.gz KUPGVQKVUKKRAC-WSMBLCCSSA-N 0 1 257.443 2.963 20 30 CFEDMN CCC(C#N)(CC)C(=O)N[C@H]1CCN(Cc2ccccc2)C1 ZINC000309830466 382490290 /nfs/dbraw/zinc/49/02/90/382490290.db2.gz RZVYCTXHFKRXPE-INIZCTEOSA-N 0 1 299.418 2.707 20 30 CFEDMN C=CCCCN[C@@H](C)c1ncc(C(=O)OC)s1 ZINC000314890175 382527821 /nfs/dbraw/zinc/52/78/21/382527821.db2.gz DJNGWEPPTCPIQY-VIFPVBQESA-N 0 1 254.355 2.547 20 30 CFEDMN C[C@@H]1CC[C@H](O)CN1CC#Cc1cccc(Cl)c1 ZINC000421005011 382505093 /nfs/dbraw/zinc/50/50/93/382505093.db2.gz GENPZEFXXOAXRF-DOMZBBRYSA-N 0 1 263.768 2.537 20 30 CFEDMN C=CC[C@@H]1N(C(=O)[C@H]2C[C@@H]2c2nc[nH]n2)CCCC1(C)C ZINC000366780528 382549468 /nfs/dbraw/zinc/54/94/68/382549468.db2.gz UJNVFWDVVZUUIH-AVGNSLFASA-N 0 1 288.395 2.502 20 30 CFEDMN C[C@H](O)C[C@H]1CCCCN1Cc1cn2ccccc2c1C#N ZINC000319286760 382534209 /nfs/dbraw/zinc/53/42/09/382534209.db2.gz HAQOMYZSIMSYHL-GOEBONIOSA-N 0 1 297.402 2.936 20 30 CFEDMN C[C@H](O)C[C@@H]1CCCCN1Cc1cn2ccccc2c1C#N ZINC000319286762 382534656 /nfs/dbraw/zinc/53/46/56/382534656.db2.gz HAQOMYZSIMSYHL-HOCLYGCPSA-N 0 1 297.402 2.936 20 30 CFEDMN CN(CC(C)(C)C#N)C(=O)C(C#N)CCc1ccccc1 ZINC000353297532 382534610 /nfs/dbraw/zinc/53/46/10/382534610.db2.gz SVNGVOJXYSNTRT-OAHLLOKOSA-N 0 1 283.375 2.767 20 30 CFEDMN COc1ccc(C#N)cc1CN1CC[C@@H](SC)C1 ZINC000382859546 382537625 /nfs/dbraw/zinc/53/76/25/382537625.db2.gz AQBJXQPHOJHJCY-CYBMUJFWSA-N 0 1 262.378 2.504 20 30 CFEDMN C=CC[C@@H](C(=O)N[C@@H]1CCc2nc[nH]c2C1)c1ccccc1 ZINC000358371181 382592595 /nfs/dbraw/zinc/59/25/95/382592595.db2.gz BMDDJXTUOIZJBU-HUUCEWRRSA-N 0 1 295.386 2.743 20 30 CFEDMN C=CCC[C@@H](O)CN1CCC[C@@H]1c1csc(C)n1 ZINC000189749262 382639237 /nfs/dbraw/zinc/63/92/37/382639237.db2.gz MXLZFLBMLBVFCS-TZMCWYRMSA-N 0 1 266.410 2.916 20 30 CFEDMN COc1ccc(CN(C)Cc2cc(C#N)n(C)c2)cc1 ZINC000191169115 382693963 /nfs/dbraw/zinc/69/39/63/382693963.db2.gz UWKVHEHNYRYKPN-UHFFFAOYSA-N 0 1 269.348 2.537 20 30 CFEDMN COc1cc(C)ccc1CNCc1cc(C#N)n(C)c1 ZINC000191315174 382698301 /nfs/dbraw/zinc/69/83/01/382698301.db2.gz ZYPNVKMISQSGRZ-UHFFFAOYSA-N 0 1 269.348 2.504 20 30 CFEDMN CN(Cc1ccc(C#N)c(F)c1)[C@H]1CCCc2c1cnn2C ZINC000192123021 382705034 /nfs/dbraw/zinc/70/50/34/382705034.db2.gz VQMPECKLBHYGEO-INIZCTEOSA-N 0 1 298.365 2.940 20 30 CFEDMN C#CCN(C)Cc1cccc(SC(=O)N(C)C)c1 ZINC000192228306 382705483 /nfs/dbraw/zinc/70/54/83/382705483.db2.gz SSMSRHGQZQEECI-UHFFFAOYSA-N 0 1 262.378 2.525 20 30 CFEDMN C=C(C)CN(CC)C(=O)[C@H](C)N[C@@H](C)c1cccnc1 ZINC000192613021 382710694 /nfs/dbraw/zinc/71/06/94/382710694.db2.gz ZIJDBNVMFKNYBJ-KBPBESRZSA-N 0 1 275.396 2.545 20 30 CFEDMN C=C[C@H](CO)N[C@H](C)c1cnn(-c2cc(C)ccc2C)c1C ZINC000289614676 197421557 /nfs/dbraw/zinc/42/15/57/197421557.db2.gz DFYFQJVCMQUJEV-GDBMZVCRSA-N 0 1 299.418 2.995 20 30 CFEDMN C=CCN(C[C@H]1C(C)=CCC[C@H]1C)[C@@H]1CCS(=O)(=O)C1 ZINC000191056479 382689720 /nfs/dbraw/zinc/68/97/20/382689720.db2.gz JBSFWONWUVKEQT-OAGGEKHMSA-N 0 1 297.464 2.654 20 30 CFEDMN C=CCN1CC[C@H](N(C)[C@H](C)c2ccc(C)cc2)C1=O ZINC000337125126 382764135 /nfs/dbraw/zinc/76/41/35/382764135.db2.gz DUXVTGDMLVGAFD-ZBFHGGJFSA-N 0 1 272.392 2.775 20 30 CFEDMN Cc1nnc([C@@H](C)NCCCC2(C#N)CCOCC2)s1 ZINC000337183032 382772840 /nfs/dbraw/zinc/77/28/40/382772840.db2.gz BRBHJYVFEFELHV-LLVKDONJSA-N 0 1 294.424 2.598 20 30 CFEDMN C=CCN1CC[C@@H](NC2(c3cccc(Cl)c3)CC2)C1=O ZINC000337182777 382772878 /nfs/dbraw/zinc/77/28/78/382772878.db2.gz NFKZXEJYMRWDEQ-CQSZACIVSA-N 0 1 290.794 2.706 20 30 CFEDMN CC(C)O[C@@H]1CCN(Cc2ccc(F)c(C#N)c2)C1 ZINC000576396964 382821182 /nfs/dbraw/zinc/82/11/82/382821182.db2.gz UJOXQICHYIEUSA-CQSZACIVSA-N 0 1 262.328 2.697 20 30 CFEDMN CC#CCCN(C)CC(=O)N(C)[C@H](C)c1ccccc1 ZINC000337449849 382822999 /nfs/dbraw/zinc/82/29/99/382822999.db2.gz NBTPLRPSOPBEFK-OAHLLOKOSA-N 0 1 272.392 2.551 20 30 CFEDMN N#Cc1ccc(NCCN2CCSCC2)cc1Cl ZINC000226229995 382825339 /nfs/dbraw/zinc/82/53/39/382825339.db2.gz QDRXITLMRUFIKA-UHFFFAOYSA-N 0 1 281.812 2.672 20 30 CFEDMN C=CCOc1ccc(CN[C@H](C)c2cn[nH]c2)cc1 ZINC000229881738 382853981 /nfs/dbraw/zinc/85/39/81/382853981.db2.gz LNNKLTNETMCNIJ-GFCCVEGCSA-N 0 1 257.337 2.825 20 30 CFEDMN C=CCC[C@H](NC(=O)NCCN1CCC1)c1ccccc1 ZINC000337675729 382854664 /nfs/dbraw/zinc/85/46/64/382854664.db2.gz BPZHCUOJQQDYHW-INIZCTEOSA-N 0 1 287.407 2.699 20 30 CFEDMN Cc1n[nH]c(C)c1CN(C)CCOCc1ccc(C#N)cc1 ZINC000577493985 382860809 /nfs/dbraw/zinc/86/08/09/382860809.db2.gz OUMMKBBNLMMCDX-UHFFFAOYSA-N 0 1 298.390 2.547 20 30 CFEDMN N#CC1(NC(=O)c2cccc(C(F)(F)F)c2O)CCCC1 ZINC000578081179 382889157 /nfs/dbraw/zinc/88/91/57/382889157.db2.gz OCUTXTOQIXDCSK-UHFFFAOYSA-N 0 1 298.264 2.977 20 30 CFEDMN CCn1cc(CN(C)[C@H](C)c2ccc(C#N)cc2)cn1 ZINC000533302391 382891869 /nfs/dbraw/zinc/89/18/69/382891869.db2.gz AUNLWMPBRWLYRY-CYBMUJFWSA-N 0 1 268.364 2.968 20 30 CFEDMN C/C(=C/c1ccccc1)CN(C)[C@@H](C)C(=O)N(C)CCC#N ZINC000494262956 382911698 /nfs/dbraw/zinc/91/16/98/382911698.db2.gz UCSVILNFMYIIFA-KGAUPUERSA-N 0 1 299.418 2.782 20 30 CFEDMN C=C[C@@](C)(CC)C(=O)N1CCC(c2cnc[nH]2)CC1 ZINC000442659227 382942512 /nfs/dbraw/zinc/94/25/12/382942512.db2.gz XZOPAGWKIMTOQB-HNNXBMFYSA-N 0 1 261.369 2.718 20 30 CFEDMN C=CCN(C[C@@H]1CCCC(C)(C)C1)[C@@H]1CCS(=O)(=O)C1 ZINC000535797055 382954899 /nfs/dbraw/zinc/95/48/99/382954899.db2.gz MNJLEGUFARRINT-HUUCEWRRSA-N 0 1 299.480 2.878 20 30 CFEDMN Cc1n[nH]c(C(C)C)c1C(=O)NCC#Cc1cccc(F)c1 ZINC000338238358 382960634 /nfs/dbraw/zinc/96/06/34/382960634.db2.gz AWBNHIBUUKPNFP-UHFFFAOYSA-N 0 1 299.349 2.762 20 30 CFEDMN N#C[C@H]1CC[C@@H](NCc2ccncc2OCC(F)F)C1 ZINC000442857000 382961014 /nfs/dbraw/zinc/96/10/14/382961014.db2.gz OZJJREGYSCUCMG-CMPLNLGQSA-N 0 1 281.306 2.507 20 30 CFEDMN C=CCCC[C@H](C)NC(=O)N1C[C@H](C)N(CC)C[C@@H]1C ZINC000539392402 382961452 /nfs/dbraw/zinc/96/14/52/382961452.db2.gz WZGMDAJZYPAPTN-KKUMJFAQSA-N 0 1 281.444 2.855 20 30 CFEDMN CC(C)CCCN1CCN(c2cnccc2C#N)CC1 ZINC000578395998 382916976 /nfs/dbraw/zinc/91/69/76/382916976.db2.gz DQCVLRLGXLWGSN-UHFFFAOYSA-N 0 1 272.396 2.511 20 30 CFEDMN COC(=O)c1cccc(CN2CCC[C@@H](C)CC2)c1C#N ZINC000534487814 382931744 /nfs/dbraw/zinc/93/17/44/382931744.db2.gz IFBUYTSHBFRVQN-CYBMUJFWSA-N 0 1 286.375 2.967 20 30 CFEDMN N#CC(C(=O)c1sccc1C1CC1)c1ccncn1 ZINC000545447185 382977925 /nfs/dbraw/zinc/97/79/25/382977925.db2.gz HJTSTBLXYQLYQG-NSHDSACASA-N 0 1 269.329 2.906 20 30 CFEDMN N#C[C@H](C(=O)c1sccc1C1CC1)c1ccncn1 ZINC000545447185 382977930 /nfs/dbraw/zinc/97/79/30/382977930.db2.gz HJTSTBLXYQLYQG-NSHDSACASA-N 0 1 269.329 2.906 20 30 CFEDMN COC(=O)[C@H]1C[C@@H](C)CCN1CCCCC(C)(C)C#N ZINC000444691031 382977955 /nfs/dbraw/zinc/97/79/55/382977955.db2.gz WTMDTFCHQUYSRO-UONOGXRCSA-N 0 1 280.412 2.980 20 30 CFEDMN C=CCCC[C@@H](C)N1CC[N@H+](CC(C)(C)O)[C@@H](C)C1 ZINC000444758953 382979415 /nfs/dbraw/zinc/97/94/15/382979415.db2.gz HNOIVAFHZXHWNL-CABCVRRESA-N 0 1 268.445 2.508 20 30 CFEDMN CC(C)(C)OC(=O)N1CCCN([C@@H]2CC[C@H](C#N)C2)CC1 ZINC000495593493 382999369 /nfs/dbraw/zinc/99/93/69/382999369.db2.gz KNJUBIBDBIVSGW-UONOGXRCSA-N 0 1 293.411 2.621 20 30 CFEDMN CC(C)(C)[C@@H]1CN(CCOc2ccc(C#N)cc2)CCO1 ZINC000447835393 383015498 /nfs/dbraw/zinc/01/54/98/383015498.db2.gz TUOUJSBMIDNRDK-INIZCTEOSA-N 0 1 288.391 2.684 20 30 CFEDMN CC(=O)c1ccc(C#N)cc1N1CC[C@@]2(C1)CCC[N@H+](C)C2 ZINC000338746821 383037273 /nfs/dbraw/zinc/03/72/73/383037273.db2.gz RYZBIKVTPYHSJY-SFHVURJKSA-N 0 1 297.402 2.683 20 30 CFEDMN C=CCC[C@H](O)CN1C[C@@H](C)O[C@H](c2ccccc2)C1 ZINC000245988136 383056587 /nfs/dbraw/zinc/05/65/87/383056587.db2.gz FSCODNZUXHOUEI-PVAVHDDUSA-N 0 1 275.392 2.776 20 30 CFEDMN CC(C)(C)OC(=O)N1CCC(C)(CNCCC#N)CC1 ZINC000496222892 383077436 /nfs/dbraw/zinc/07/74/36/383077436.db2.gz FCLWAZBWFVOTRZ-UHFFFAOYSA-N 0 1 281.400 2.527 20 30 CFEDMN COC(=O)C(C)(C)CCN(CCC#N)CCC(C)C ZINC000338546175 383022290 /nfs/dbraw/zinc/02/22/90/383022290.db2.gz KQDPAPVUIDFIJR-UHFFFAOYSA-N 0 1 268.401 2.837 20 30 CFEDMN CC[C@@H](CC#N)NC1CC2(C1)CN(C(=O)OC(C)(C)C)C2 ZINC000497013207 383129099 /nfs/dbraw/zinc/12/90/99/383129099.db2.gz FNFBJTDMYKQTRL-LBPRGKRZSA-N 0 1 293.411 2.668 20 30 CFEDMN C=C(C)CN(Cc1ccccc1)C[C@@H]1CN(C)C(=O)O1 ZINC000497056494 383129720 /nfs/dbraw/zinc/12/97/20/383129720.db2.gz RYHRYEAHRWBZIA-HNNXBMFYSA-N 0 1 274.364 2.515 20 30 CFEDMN C=C(C)C[N@H+]1C[C@H](C2CCCCC2)C[C@H]1C(=O)[O-] ZINC000583511757 383090309 /nfs/dbraw/zinc/09/03/09/383090309.db2.gz WRKBGKSTJSHCML-KGLIPLIRSA-N 0 1 251.370 2.918 20 30 CFEDMN COC(=O)c1cccc(CN(C)[C@H]2CC[C@H](C)C2)c1C#N ZINC000584506376 383108266 /nfs/dbraw/zinc/10/82/66/383108266.db2.gz YATTWKFWEIHKHJ-JSGCOSHPSA-N 0 1 286.375 2.965 20 30 CFEDMN COCC1(C#N)CCN(Cc2csc(C)c2)CC1 ZINC000449313101 383213000 /nfs/dbraw/zinc/21/30/00/383213000.db2.gz UORGQBANXZUQKS-UHFFFAOYSA-N 0 1 264.394 2.809 20 30 CFEDMN CC(C)[C@H]1CN(Cc2ccc(C#N)cn2)CCS1 ZINC000517727162 383190774 /nfs/dbraw/zinc/19/07/74/383190774.db2.gz LBOJQUIUZQWJLO-CQSZACIVSA-N 0 1 261.394 2.527 20 30 CFEDMN C=CCN1CC[C@H](N(C)Cc2cccc3ccoc32)C1=O ZINC000449306747 383210570 /nfs/dbraw/zinc/21/05/70/383210570.db2.gz XNLSFBRXCLONBI-HNNXBMFYSA-N 0 1 284.359 2.652 20 30 CFEDMN C=CCCCCCN1CCO[C@H](COC(C)C)C1 ZINC000555545299 383147901 /nfs/dbraw/zinc/14/79/01/383147901.db2.gz ZZYYDSHHECFHLO-HNNXBMFYSA-N 0 1 255.402 2.859 20 30 CFEDMN CC1(C)CCCN(Cc2cc(O)ccc2[N+](=O)[O-])[C@H]1C#N ZINC000339128071 383159563 /nfs/dbraw/zinc/15/95/63/383159563.db2.gz OWQKQQHBCZBSED-AWEZNQCLSA-N 0 1 289.335 2.815 20 30 CFEDMN CCC(=O)N1CCCN(CCC2(C#N)CCCCC2)CC1 ZINC000563870157 383168735 /nfs/dbraw/zinc/16/87/35/383168735.db2.gz PUQNVQGRMVMLPL-UHFFFAOYSA-N 0 1 291.439 2.795 20 30 CFEDMN CC(C)c1ncc(CN(C)[C@@H]2CC[C@H](C#N)C2)cn1 ZINC000339154666 383168881 /nfs/dbraw/zinc/16/88/81/383168881.db2.gz AUQQHMXNCMLFQY-GXTWGEPZSA-N 0 1 258.369 2.724 20 30 CFEDMN CN(Cc1ccc(Cl)cc1C#N)C[C@H]1CCC[C@H]1O ZINC000248547212 383257570 /nfs/dbraw/zinc/25/75/70/383257570.db2.gz GAUPXBPMOIMUOT-IUODEOHRSA-N 0 1 278.783 2.804 20 30 CFEDMN CC(C)c1nc(CNC[C@H](C)C#N)c2ccccn21 ZINC000567477367 383280200 /nfs/dbraw/zinc/28/02/00/383280200.db2.gz OGVZCZPXUZOEHH-GFCCVEGCSA-N 0 1 256.353 2.707 20 30 CFEDMN C=CCCCCCN(C)C(=O)[C@@H](C)N1CC(C)C1 ZINC000519832444 383240683 /nfs/dbraw/zinc/24/06/83/383240683.db2.gz IDGWVZXDCGQSGD-CQSZACIVSA-N 0 1 252.402 2.531 20 30 CFEDMN CCO[C@@H]1CCN(Cc2ccc(C#N)cc2F)C[C@H]1C ZINC000449510616 383346756 /nfs/dbraw/zinc/34/67/56/383346756.db2.gz XLTMUEMERXZAJL-MLGOLLRUSA-N 0 1 276.355 2.944 20 30 CFEDMN N#CCCNCCc1ccccc1OC(F)(F)F ZINC000567684515 383301661 /nfs/dbraw/zinc/30/16/61/383301661.db2.gz KYHHISSQQFUMBM-UHFFFAOYSA-N 0 1 258.243 2.631 20 30 CFEDMN COC(=O)C1(CN2CCC[C@@H]2[C@@H](C#N)c2ccccc2)CC1 ZINC000450452396 383416380 /nfs/dbraw/zinc/41/63/80/383416380.db2.gz MNWWNSQVRGGDEL-JKSUJKDBSA-N 0 1 298.386 2.711 20 30 CFEDMN Cc1cc(N(C)Cc2cc(C(C)(C)C)[nH]n2)c(C#N)cn1 ZINC000425253287 383351097 /nfs/dbraw/zinc/35/10/97/383351097.db2.gz COZPBBWNRZEYFZ-UHFFFAOYSA-N 0 1 283.379 2.919 20 30 CFEDMN N#Cc1ccc2nc(-c3cnn(CC(F)(F)F)c3)[nH]c2c1 ZINC000340093944 383353242 /nfs/dbraw/zinc/35/32/42/383353242.db2.gz DHZFZBLNOCBIGE-UHFFFAOYSA-N 0 1 291.236 2.860 20 30 CFEDMN C=CCC[C@@H](CO)NCc1nc(CCC)cs1 ZINC000449701387 383361702 /nfs/dbraw/zinc/36/17/02/383361702.db2.gz WEEBXPCBBQLVNY-NSHDSACASA-N 0 1 254.399 2.512 20 30 CFEDMN C=CCC1(C(=O)N2CCN(CC3CC3)CC2)CCCC1 ZINC000449795043 383366023 /nfs/dbraw/zinc/36/60/23/383366023.db2.gz NBJZLAJIQSZLQK-UHFFFAOYSA-N 0 1 276.424 2.677 20 30 CFEDMN COC(=O)[C@H]1CCN(CC#Cc2cccc(Cl)c2)[C@H]1C ZINC000469996070 383375182 /nfs/dbraw/zinc/37/51/82/383375182.db2.gz INNHUZXFRJBTOV-WFASDCNBSA-N 0 1 291.778 2.575 20 30 CFEDMN C=CCC1(C(=O)N[C@H](C)Cc2cc(C)[nH]n2)CCCC1 ZINC000450154705 383383800 /nfs/dbraw/zinc/38/38/00/383383800.db2.gz DRVCTXIGUHZYDW-GFCCVEGCSA-N 0 1 275.396 2.902 20 30 CFEDMN CC(C)c1nc(CN[C@H](C)c2ccc(C#N)cc2)n[nH]1 ZINC000428312729 383449286 /nfs/dbraw/zinc/44/92/86/383449286.db2.gz GOACOVXACJNSKN-LLVKDONJSA-N 0 1 269.352 2.651 20 30 CFEDMN CN(CC#Cc1ccccc1)CCc1ccccc1O ZINC000483701166 383450345 /nfs/dbraw/zinc/45/03/45/383450345.db2.gz RBANXCPSAPVSDY-UHFFFAOYSA-N 0 1 265.356 2.918 20 30 CFEDMN C[C@H]1CC[C@](CO)(N(C)Cc2cccc(F)c2C#N)C1 ZINC000428443762 383473795 /nfs/dbraw/zinc/47/37/95/383473795.db2.gz AHTAUIFVRQBCAT-LRDDRELGSA-N 0 1 276.355 2.680 20 30 CFEDMN C=CCN(CC=C)C(=O)[C@@H](C)N1CCc2cccc(C)c2C1 ZINC000429563152 383545254 /nfs/dbraw/zinc/54/52/54/383545254.db2.gz BIWNIJLLULIGMF-MRXNPFEDSA-N 0 1 298.430 2.942 20 30 CFEDMN C=CCN(CC=C)C(=O)CN1CCc2cccc(C)c2C1 ZINC000429569899 383548110 /nfs/dbraw/zinc/54/81/10/383548110.db2.gz VDUUFIQHTAQAMJ-UHFFFAOYSA-N 0 1 284.403 2.554 20 30 CFEDMN Cc1cc(CN[C@@H](CO)c2ccc(F)cc2)ccc1C#N ZINC000488247822 383508600 /nfs/dbraw/zinc/50/86/00/383508600.db2.gz LFQXXWCGEYRFEF-KRWDZBQOSA-N 0 1 284.334 2.829 20 30 CFEDMN COc1cc2c(c(CNCC3(CC#N)CC3)c1)O[C@@H](C)C2 ZINC000430061589 383587092 /nfs/dbraw/zinc/58/70/92/383587092.db2.gz QUOOIUHFAWJKOH-LBPRGKRZSA-N 0 1 286.375 2.802 20 30 CFEDMN C=CCN1CC[C@H](N(C)Cc2ccc3c(c2)CCCC3)C1=O ZINC000430076111 383588146 /nfs/dbraw/zinc/58/81/46/383588146.db2.gz CRQNRKYCCJSJQO-SFHVURJKSA-N 0 1 298.430 2.784 20 30 CFEDMN CCc1occc1C(=O)C(C#N)c1cc(C)nc(C)n1 ZINC000430527350 383594557 /nfs/dbraw/zinc/59/45/57/383594557.db2.gz UUQXGFBBDZXZPZ-GFCCVEGCSA-N 0 1 269.304 2.739 20 30 CFEDMN COC(=O)[C@@H]1CCCC[C@@H]1NCc1ccc(F)cc1C#N ZINC000451588111 383652821 /nfs/dbraw/zinc/65/28/21/383652821.db2.gz OKGJJYWDELCRBF-CABCVRRESA-N 0 1 290.338 2.519 20 30 CFEDMN C=C[C@H]1CCCCN1CC(=O)N1CCCC[C@H]1CC ZINC000489437182 383618971 /nfs/dbraw/zinc/61/89/71/383618971.db2.gz WLWAQRAZTYTBBI-LSDHHAIUSA-N 0 1 264.413 2.818 20 30 CFEDMN CO[C@@]1(C)C[C@@H](NCc2ccc(F)cc2C#N)C1(C)C ZINC000451497184 383628980 /nfs/dbraw/zinc/62/89/80/383628980.db2.gz VMCDRXVOJSFBPP-ZBFHGGJFSA-N 0 1 276.355 2.991 20 30 CFEDMN CCO[C@H]1CC[N@@H+](Cc2cc(C#N)ccc2OC)C[C@@H]1C ZINC000451527903 383636439 /nfs/dbraw/zinc/63/64/39/383636439.db2.gz HQXZPEARXHPCIQ-BBRMVZONSA-N 0 1 288.391 2.814 20 30 CFEDMN CCO[C@H]1CCN(Cc2cc(C#N)ccc2OC)C[C@@H]1C ZINC000451527903 383636442 /nfs/dbraw/zinc/63/64/42/383636442.db2.gz HQXZPEARXHPCIQ-BBRMVZONSA-N 0 1 288.391 2.814 20 30 CFEDMN N#C[C@H](C(=O)NC1CCCCC1)C(=O)[C@H]1CCCC12CC2 ZINC000528916227 383675994 /nfs/dbraw/zinc/67/59/94/383675994.db2.gz DKVTUFBSLOCRQN-UONOGXRCSA-N 0 1 288.391 2.724 20 30 CFEDMN CC(C)(C)c1nc(CN2CCCC(C)(C)[C@H]2C#N)n[nH]1 ZINC000433187258 383756086 /nfs/dbraw/zinc/75/60/86/383756086.db2.gz NLEWMVLWIYLDBE-LLVKDONJSA-N 0 1 275.400 2.616 20 30 CFEDMN C=CCCC[N@H+](C)Cc1ccc(F)cc1C(=O)[O-] ZINC000572653816 383803143 /nfs/dbraw/zinc/80/31/43/383803143.db2.gz SEQVPMNHVBRCKW-UHFFFAOYSA-N 0 1 251.301 2.922 20 30 CFEDMN CC(C)(C)CN(CCC#N)C[C@@H]1CCCC[C@H]1O ZINC000572768505 383814826 /nfs/dbraw/zinc/81/48/26/383814826.db2.gz BWCKDVGHFLUJNV-UONOGXRCSA-N 0 1 252.402 2.799 20 30 CFEDMN C=C(C)Cn1c(-c2scnc2C)n[n-]c1=[NH+]C(C)(C)C ZINC000572878537 383831854 /nfs/dbraw/zinc/83/18/54/383831854.db2.gz ONCHPZMEJYGAPY-UHFFFAOYSA-N 0 1 291.424 2.918 20 30 CFEDMN C=C[C@@H]1CCCCN1C(=O)Nc1cc(CN(C)C)ccn1 ZINC000640568899 383832167 /nfs/dbraw/zinc/83/21/67/383832167.db2.gz GRRPNAIXECVAFE-CQSZACIVSA-N 0 1 288.395 2.716 20 30 CFEDMN C=CC[C@@H]1CCCN(C(=O)c2cc(C(F)F)[nH]n2)C1 ZINC000640701504 383892254 /nfs/dbraw/zinc/89/22/54/383892254.db2.gz XSGFMCUWLAHKPN-SECBINFHSA-N 0 1 269.295 2.776 20 30 CFEDMN CC[C@]1(CO)CCCN1CC#Cc1ccccc1Cl ZINC000439284069 384034164 /nfs/dbraw/zinc/03/41/64/384034164.db2.gz LLLMOFRTIWTGFJ-MRXNPFEDSA-N 0 1 277.795 2.928 20 30 CFEDMN Cc1cc(C[C@H](C)Nc2ncc3c(c2C#N)CCC3)[nH]n1 ZINC000574984071 384171076 /nfs/dbraw/zinc/17/10/76/384171076.db2.gz YYGKRYVGUISERR-JTQLQIEISA-N 0 1 281.363 2.517 20 30 CFEDMN CC#CC[C@H](CO)NCc1nc(-c2ccccc2)cs1 ZINC000641769589 384336362 /nfs/dbraw/zinc/33/63/62/384336362.db2.gz VPEKHHXGTFKBOA-CQSZACIVSA-N 0 1 286.400 2.674 20 30 CFEDMN C=CC[C@H](C)NC(=O)[C@@H](N)c1ccc(C(F)(F)F)cc1 ZINC000638011340 384353278 /nfs/dbraw/zinc/35/32/78/384353278.db2.gz WMFYDJZBWLZJTH-CABZTGNLSA-N 0 1 286.297 2.786 20 30 CFEDMN CC#CC[C@H](CO)NCc1csc(C(F)(F)F)c1 ZINC000641767885 384334180 /nfs/dbraw/zinc/33/41/80/384334180.db2.gz RWYUVECKGSOKGN-SNVBAGLBSA-N 0 1 277.311 2.631 20 30 CFEDMN Cc1cc(C)cc(CCNCc2nc(C#N)cs2)c1 ZINC000352844348 220302851 /nfs/dbraw/zinc/30/28/51/220302851.db2.gz XPYPLXQZEWYHRU-UHFFFAOYSA-N 0 1 271.389 2.964 20 30 CFEDMN C[C@H](O)c1ncc(CN[C@@H](C)c2ccc(C#N)cc2)s1 ZINC000289347676 197306002 /nfs/dbraw/zinc/30/60/02/197306002.db2.gz WXTBQFARUOFJAI-QWRGUYRKSA-N 0 1 287.388 2.919 20 30 CFEDMN C=CCCCCCNC(=O)[C@H](N)c1cccc(OC)c1 ZINC000638394860 384618138 /nfs/dbraw/zinc/61/81/38/384618138.db2.gz LIDFPIIIGBTENF-OAHLLOKOSA-N 0 1 276.380 2.558 20 30 CFEDMN C=CC(C)(C)CCNC(=O)[C@H](N)c1ccccc1C ZINC000638454801 384672980 /nfs/dbraw/zinc/67/29/80/384672980.db2.gz KRQIPHISNYLHPS-CQSZACIVSA-N 0 1 260.381 2.713 20 30 CFEDMN C=CC(C)(C)CCNC(=O)[C@@H](N)c1ccccc1C ZINC000638454800 384673406 /nfs/dbraw/zinc/67/34/06/384673406.db2.gz KRQIPHISNYLHPS-AWEZNQCLSA-N 0 1 260.381 2.713 20 30 CFEDMN C[C@@H]1CCCC[N@H+]1CCNCc1ccc(C#N)cc1F ZINC000269429590 384758005 /nfs/dbraw/zinc/75/80/05/384758005.db2.gz PBGVRGIAOWRVSP-CYBMUJFWSA-N 0 1 275.371 2.661 20 30 CFEDMN C#CCn1ccc(CN(CC)CCc2ccc(OC)cc2)n1 ZINC000279794271 384764575 /nfs/dbraw/zinc/76/45/75/384764575.db2.gz VZLMWRUYTLATNG-UHFFFAOYSA-N 0 1 297.402 2.590 20 30 CFEDMN C=CCCC(C)(C)CNC(=O)[C@](C)(N)c1ccccc1 ZINC000638873524 385005498 /nfs/dbraw/zinc/00/54/98/385005498.db2.gz BDVLMQIQQHAMEU-QGZVFWFLSA-N 0 1 274.408 2.969 20 30 CFEDMN C=CCC(C)(C)C(=O)Nc1cnn(-c2ccncc2)c1 ZINC000644791609 385061671 /nfs/dbraw/zinc/06/16/71/385061671.db2.gz GOYNQBLQMDESJN-UHFFFAOYSA-N 0 1 270.336 2.808 20 30 CFEDMN C=C[C@H](CC(=O)N1CCN(CCC)CC1)c1ccccc1 ZINC000270276642 385039303 /nfs/dbraw/zinc/03/93/03/385039303.db2.gz HWEFOQMSNWELDF-MRXNPFEDSA-N 0 1 286.419 2.901 20 30 CFEDMN C=CCN1CC[C@H]([N@@H+](C)C/C(C)=C/c2ccccc2)C1=O ZINC000281244245 385186328 /nfs/dbraw/zinc/18/63/28/385186328.db2.gz MBGGEOUCDXWXNP-VOGRQWBCSA-N 0 1 284.403 2.809 20 30 CFEDMN C=CCN1CC[C@H](N(C)C/C(C)=C/c2ccccc2)C1=O ZINC000281244245 385186332 /nfs/dbraw/zinc/18/63/32/385186332.db2.gz MBGGEOUCDXWXNP-VOGRQWBCSA-N 0 1 284.403 2.809 20 30 CFEDMN C=CCC(C)(C)CNC(=O)Nc1cnn(-c2ccncc2)c1 ZINC000645015390 385162642 /nfs/dbraw/zinc/16/26/42/385162642.db2.gz WUMIAIPYQAOXEZ-UHFFFAOYSA-N 0 1 299.378 2.991 20 30 CFEDMN CC[C@@H]1CN(Cc2ccc(C#N)c(OC)c2)CCCO1 ZINC000282141561 385223897 /nfs/dbraw/zinc/22/38/97/385223897.db2.gz CBMYRJDZFOCAFR-OAHLLOKOSA-N 0 1 274.364 2.568 20 30 CFEDMN C=C[C@@H]1CCCCN1Cc1c2c(nn1C)CCCC2 ZINC000639110797 385203884 /nfs/dbraw/zinc/20/38/84/385203884.db2.gz CDBDVWDFFAPLNT-CYBMUJFWSA-N 0 1 259.397 2.839 20 30 CFEDMN C=CCOCCN1CCN(c2ccccc2F)C[C@@H]1C ZINC000645130164 385205596 /nfs/dbraw/zinc/20/55/96/385205596.db2.gz SIUUJFSEGSGBRV-AWEZNQCLSA-N 0 1 278.371 2.539 20 30 CFEDMN C#CCCCN1CCN(Cc2nc3ccccc3s2)CC1 ZINC000271042660 385315411 /nfs/dbraw/zinc/31/54/11/385315411.db2.gz NGKMPAAWKCZSHH-UHFFFAOYSA-N 0 1 299.443 2.827 20 30 CFEDMN CCc1nc([C@H](C)N[C@@H](C)c2ccc(C#N)c(F)c2)n[nH]1 ZINC000271947780 385407937 /nfs/dbraw/zinc/40/79/37/385407937.db2.gz NWBTXPROKOEMMJ-UWVGGRQHSA-N 0 1 287.342 2.790 20 30 CFEDMN CCc1nc([C@@H](C)N[C@H](C)c2ccc(C#N)c(F)c2)n[nH]1 ZINC000271947778 385408235 /nfs/dbraw/zinc/40/82/35/385408235.db2.gz NWBTXPROKOEMMJ-NXEZZACHSA-N 0 1 287.342 2.790 20 30 CFEDMN CCOC(=O)[C@H](C)[C@H](C)NCc1ccc(Cl)cc1C#N ZINC000283213738 385446528 /nfs/dbraw/zinc/44/65/28/385446528.db2.gz SEOZDLBAJIVHTC-MNOVXSKESA-N 0 1 294.782 2.889 20 30 CFEDMN C=CCN(CCc1ccco1)Cc1cn(C)nc1C ZINC000272602183 385573694 /nfs/dbraw/zinc/57/36/94/385573694.db2.gz JCLSJLKBNNYFER-UHFFFAOYSA-N 0 1 259.353 2.552 20 30 CFEDMN Cc1ccc(C#N)cc1NC(=O)N[C@H](C)C1=CC[N@@H+](C)CC1 ZINC000272658225 385583605 /nfs/dbraw/zinc/58/36/05/385583605.db2.gz GWWDFFZLCOBHHN-CYBMUJFWSA-N 0 1 298.390 2.639 20 30 CFEDMN C=CCS(=O)(=O)CCN[C@H](C)c1ccc(Cl)s1 ZINC000272814851 385623085 /nfs/dbraw/zinc/62/30/85/385623085.db2.gz DRJYPHJWDMEHHC-SECBINFHSA-N 0 1 293.841 2.653 20 30 CFEDMN C=CCN(CCOC)Cc1cnc(OC)c2ccccc12 ZINC000639608115 385609671 /nfs/dbraw/zinc/60/96/71/385609671.db2.gz CZOZYHZFVZIRTL-UHFFFAOYSA-N 0 1 286.375 2.878 20 30 CFEDMN C=CCS(=O)(=O)CCN[C@H](C)c1cccc(C)c1C ZINC000272912572 385651094 /nfs/dbraw/zinc/65/10/94/385651094.db2.gz WVQNYTAANACUHW-CQSZACIVSA-N 0 1 281.421 2.555 20 30 CFEDMN C=CCCCNC(=O)N(C)CCCN(C)Cc1ccco1 ZINC000288682670 197143821 /nfs/dbraw/zinc/14/38/21/197143821.db2.gz MUSQPWLJMGHETR-UHFFFAOYSA-N 0 1 293.411 2.709 20 30 CFEDMN C=CCCCC(=O)N(C)CCCN(C)Cc1ccco1 ZINC000286857403 385725251 /nfs/dbraw/zinc/72/52/51/385725251.db2.gz ZGIOEXQFQYDQOF-UHFFFAOYSA-N 0 1 278.396 2.916 20 30 CFEDMN C=C(C)[C@@H](NC(=O)[C@H]1CCCN1C)c1ccc(F)c(F)c1 ZINC000274626484 385836811 /nfs/dbraw/zinc/83/68/11/385836811.db2.gz MMLSYZSLGDCAGF-HUUCEWRRSA-N 0 1 294.345 2.792 20 30 CFEDMN C=CCCCCNCc1csc(N(CC)C(C)=O)n1 ZINC000274405670 385788495 /nfs/dbraw/zinc/78/84/95/385788495.db2.gz BZDFAFMBXBFJOC-UHFFFAOYSA-N 0 1 281.425 2.962 20 30 CFEDMN C=CCC1(C(=O)N[C@@H]2CCCc3cn[nH]c32)CCC1 ZINC000276687076 386016106 /nfs/dbraw/zinc/01/61/06/386016106.db2.gz GNRBVMYXMKUKMX-GFCCVEGCSA-N 0 1 259.353 2.650 20 30 CFEDMN COc1cc(CN(C)Cc2cc(C#N)n(C)c2)cc(OC)c1 ZINC000276750397 386033668 /nfs/dbraw/zinc/03/36/68/386033668.db2.gz KSFNKMUNXSPVLK-UHFFFAOYSA-N 0 1 299.374 2.546 20 30 CFEDMN C=CCC1(C(=O)N[C@H](C)c2n[nH]c(C(C)C)n2)CCC1 ZINC000276769142 386038740 /nfs/dbraw/zinc/03/87/40/386038740.db2.gz GYKRMKNLGVJLNF-LLVKDONJSA-N 0 1 276.384 2.852 20 30 CFEDMN C=C[C@@](C)(CC)C(=O)NOCc1ccc(F)cc1 ZINC000276933695 386083862 /nfs/dbraw/zinc/08/38/62/386083862.db2.gz OOSXOVQGFIZTPF-AWEZNQCLSA-N 0 1 251.301 2.976 20 30 CFEDMN C=CCC[C@@H](O)CN1CCC(C)=C(Br)C1 ZINC000281254706 195169284 /nfs/dbraw/zinc/16/92/84/195169284.db2.gz VFDYKEXUJZSCEG-LLVKDONJSA-N 0 1 274.202 2.688 20 30 CFEDMN OC[C@@H]1CCCCN1CC#Cc1ccc(Cl)cc1 ZINC000177024244 285272405 /nfs/dbraw/zinc/27/24/05/285272405.db2.gz ZCNUNEQZRALBCJ-HNNXBMFYSA-N 0 1 263.768 2.538 20 30 CFEDMN CCC#C[C@@H](C)N1CCC[C@](OC)(C(F)(F)F)C1 ZINC000682040550 542508880 /nfs/dbraw/zinc/50/88/80/542508880.db2.gz MAVXFGDKVXYLEO-VXGBXAGGSA-N 0 1 263.303 2.832 20 30 CFEDMN C=CC[C@@H](C)NC(=O)NC[C@@H](c1ccco1)N(CC)CC ZINC000117040007 260019915 /nfs/dbraw/zinc/01/99/15/260019915.db2.gz DUQIVXHEQQEJRC-KGLIPLIRSA-N 0 1 293.411 2.926 20 30 CFEDMN Cc1cc(CN2CC(CC(F)F)C2)ccc1C#N ZINC000425365209 533591508 /nfs/dbraw/zinc/59/15/08/533591508.db2.gz JKFBZPZDOAROGF-UHFFFAOYSA-N 0 1 250.292 2.954 20 30 CFEDMN COc1ccc(CN2CCC(C#N)CC2)c(C)c1OC ZINC000347845187 533553685 /nfs/dbraw/zinc/55/36/85/533553685.db2.gz ILLCSTYGVMCJAP-UHFFFAOYSA-N 0 1 274.364 2.748 20 30 CFEDMN N#Cc1cccc(C2(NCC(=O)Nc3ccccc3)CC2)c1 ZINC000341948182 130154132 /nfs/dbraw/zinc/15/41/32/130154132.db2.gz VWJNUJUYNSVNGZ-UHFFFAOYSA-N 0 1 291.354 2.776 20 30 CFEDMN N#CCSCCCN1CCC[C@H]1c1nccs1 ZINC000374095201 393482818 /nfs/dbraw/zinc/48/28/18/393482818.db2.gz CQIBQTGJQGCDLT-NSHDSACASA-N 0 1 267.423 2.927 20 30 CFEDMN N#Cc1ccc(CNCc2cccc3nccn32)c(F)c1 ZINC000179424039 393466879 /nfs/dbraw/zinc/46/68/79/393466879.db2.gz OYGRTMMUFBACEW-UHFFFAOYSA-N 0 1 280.306 2.635 20 30 CFEDMN CC(C)[C@H]1CCCC[C@H]1NC(=O)N[C@@H](C)c1nnc[nH]1 ZINC000329534687 393541550 /nfs/dbraw/zinc/54/15/50/393541550.db2.gz KYMJPIPETGBQIF-QJPTWQEYSA-N 0 1 279.388 2.584 20 30 CFEDMN Cc1nc([C@H]2CCCCN2Cc2ccc(F)c(C#N)c2)n[nH]1 ZINC000378244185 393544252 /nfs/dbraw/zinc/54/42/52/393544252.db2.gz JPIPBTXACKZOLW-OAHLLOKOSA-N 0 1 299.353 2.851 20 30 CFEDMN CO[C@H]1[C@H]2[C@H]3C[C@@H]1C[C@@H]3CN2Cc1ccc(F)cc1C#N ZINC000375751164 393510437 /nfs/dbraw/zinc/51/04/37/393510437.db2.gz QLORHFBAWNUTOT-QUESIWGOSA-N 0 1 286.350 2.553 20 30 CFEDMN Cc1c([C@@H](C)NCC#Cc2ccc(F)cc2)cnn1C ZINC000183315710 393518294 /nfs/dbraw/zinc/51/82/94/393518294.db2.gz ZOWQWVCMPCYCHJ-GFCCVEGCSA-N 0 1 271.339 2.570 20 30 CFEDMN Cc1ccc(CNCc2ccc(C#N)cc2)nc1C ZINC000313859640 393524276 /nfs/dbraw/zinc/52/42/76/393524276.db2.gz VUXFGQFJDVCRPD-UHFFFAOYSA-N 0 1 251.333 2.860 20 30 CFEDMN Cc1cccn2cc(CN[C@@H]3CCC[C@H](C#N)C3)nc12 ZINC000185885847 393538012 /nfs/dbraw/zinc/53/80/12/393538012.db2.gz WZFDIQRYHRZQCC-UONOGXRCSA-N 0 1 268.364 2.815 20 30 CFEDMN CN(C([O-])=[NH+][C@H]1CCn2ccnc2C1)C1CCCCCC1 ZINC000330241699 393551548 /nfs/dbraw/zinc/55/15/48/393551548.db2.gz BUPAURKJLIUHOP-ZDUSSCGKSA-N 0 1 290.411 2.767 20 30 CFEDMN O=C(N[C@@H]1CCc2[nH]cnc2C1)N1CC[C@H]1c1ccccc1 ZINC000329701802 393547743 /nfs/dbraw/zinc/54/77/43/393547743.db2.gz HOBCHDAIDGHTKO-CJNGLKHVSA-N 0 1 296.374 2.628 20 30 CFEDMN [O-]C(=[NH+][C@@H]1CCc2nc[nH]c2C1)N1CC[C@H]1c1ccccc1 ZINC000329701802 393547747 /nfs/dbraw/zinc/54/77/47/393547747.db2.gz HOBCHDAIDGHTKO-CJNGLKHVSA-N 0 1 296.374 2.628 20 30 CFEDMN [O-]C(=[NH+][C@@H]1CCc2[nH]cnc2C1)N1CC[C@H]1c1ccccc1 ZINC000329701802 393547752 /nfs/dbraw/zinc/54/77/52/393547752.db2.gz HOBCHDAIDGHTKO-CJNGLKHVSA-N 0 1 296.374 2.628 20 30 CFEDMN CCOc1ccc(NC(=O)c2ccc(C#N)c(O)c2)cc1 ZINC000188208480 393562265 /nfs/dbraw/zinc/56/22/65/393562265.db2.gz WRTMHHWPARLZSB-UHFFFAOYSA-N 0 1 282.299 2.915 20 30 CFEDMN COc1ccc(NC(=O)c2ccc(C#N)c(O)c2)cc1OC ZINC000188214460 393562672 /nfs/dbraw/zinc/56/26/72/393562672.db2.gz GCQGHHFHVNSATB-UHFFFAOYSA-N 0 1 298.298 2.533 20 30 CFEDMN CC[C@]1(C)CN(Cc2ccc(C#N)cc2C)CCO1 ZINC000190088077 393577826 /nfs/dbraw/zinc/57/78/26/393577826.db2.gz ILVQSXYVGYVBCL-MRXNPFEDSA-N 0 1 258.365 2.868 20 30 CFEDMN Cc1n[nH]c(C(C)C)c1C(=O)N1CCC(CC#N)CC1 ZINC000334212689 393580177 /nfs/dbraw/zinc/58/01/77/393580177.db2.gz PMRBVFXLQZOXHB-UHFFFAOYSA-N 0 1 274.368 2.607 20 30 CFEDMN Cc1nc2ccccn2c1CN1CCC(C)(C#N)CC1 ZINC000334230612 393583235 /nfs/dbraw/zinc/58/32/35/393583235.db2.gz JZYRNCVZGIARPD-UHFFFAOYSA-N 0 1 268.364 2.768 20 30 CFEDMN N#C[C@@H]1CC[C@@H](N2CCCN(C(=O)c3ccccc3)CC2)C1 ZINC000334239535 393584569 /nfs/dbraw/zinc/58/45/69/393584569.db2.gz URUFNYJKRCSCAS-NVXWUHKLSA-N 0 1 297.402 2.527 20 30 CFEDMN N#Cc1ccc(CN2CCCC[C@@H]2c2nnc[nH]2)cc1F ZINC000192142207 393613492 /nfs/dbraw/zinc/61/34/92/393613492.db2.gz WQLGWGRCQAVCFS-CQSZACIVSA-N 0 1 285.326 2.543 20 30 CFEDMN CC[C@@H]1CCC[C@@H]1C(=O)N=c1[nH]n(C(C)C)cc1C#N ZINC000410541877 393629177 /nfs/dbraw/zinc/62/91/77/393629177.db2.gz PGZWHVYQSFCMPB-YPMHNXCESA-N 0 1 274.368 2.522 20 30 CFEDMN CCCNc1ccc(C#N)cc1NC(=O)CCc1cnc[nH]1 ZINC000193344935 393649660 /nfs/dbraw/zinc/64/96/60/393649660.db2.gz KQNGHXYSFNNLKM-UHFFFAOYSA-N 0 1 297.362 2.675 20 30 CFEDMN N#Cc1cc(NC(=O)c2cc(F)ccc2O)ccc1F ZINC000080024130 393723103 /nfs/dbraw/zinc/72/31/03/393723103.db2.gz ZGICNOMWOXAVDA-UHFFFAOYSA-N 0 1 274.226 2.794 20 30 CFEDMN C=CC[C@H](Cc1ccccc1)NC(=O)[C@H]1CCCN1C1CC1 ZINC000413992104 393793092 /nfs/dbraw/zinc/79/30/92/393793092.db2.gz XEKAJOYUGBFEAZ-SJLPKXTDSA-N 0 1 298.430 2.917 20 30 CFEDMN C=CCOCCN1CCN(Cc2ccc(Cl)cc2)CC1 ZINC000338884395 393803944 /nfs/dbraw/zinc/80/39/44/393803944.db2.gz ASESMMDVHRDBPR-UHFFFAOYSA-N 0 1 294.826 2.660 20 30 CFEDMN C=CCOCCN1CCN(c2cc(C)ccc2C)CC1 ZINC000339021505 393811211 /nfs/dbraw/zinc/81/12/11/393811211.db2.gz KZUFMFJMLBZTKX-UHFFFAOYSA-N 0 1 274.408 2.628 20 30 CFEDMN C[C@@H](NCCOCCC#N)c1c(F)cccc1F ZINC000339064838 393814128 /nfs/dbraw/zinc/81/41/28/393814128.db2.gz FIKDVVCATKRYGX-SNVBAGLBSA-N 0 1 254.280 2.546 20 30 CFEDMN CCN(C[C@@H](C)C#N)C(=O)[C@@H]1CCCN1Cc1ccccc1 ZINC000343217813 393881862 /nfs/dbraw/zinc/88/18/62/393881862.db2.gz PNRPSBMJSWAECJ-RDJZCZTQSA-N 0 1 299.418 2.659 20 30 CFEDMN C=CC[C@H](CO)CNc1cc[nH+]c2c([O-])cccc12 ZINC000684580307 542830916 /nfs/dbraw/zinc/83/09/16/542830916.db2.gz GXVUHKYNWMFXPB-NSHDSACASA-N 0 1 258.321 2.537 20 30 CFEDMN C[C@H]1CC[C@@H](N(CCO)Cc2cccc(F)c2C#N)C1 ZINC000428973365 393928496 /nfs/dbraw/zinc/92/84/96/393928496.db2.gz YMGRVVOOZZUFHU-GXTWGEPZSA-N 0 1 276.355 2.680 20 30 CFEDMN C[C@H](NCC(=O)N[C@H]1CCCC[C@H]1C)c1ccc(C#N)cc1 ZINC000271702000 394021530 /nfs/dbraw/zinc/02/15/30/394021530.db2.gz UGILUVNBAANYJQ-KEYYUXOJSA-N 0 1 299.418 2.904 20 30 CFEDMN Cc1ccncc1CCCN1CCC(F)(C#N)CC1 ZINC000348699964 393956291 /nfs/dbraw/zinc/95/62/91/393956291.db2.gz AZHJQIHYLSDAJL-UHFFFAOYSA-N 0 1 261.344 2.650 20 30 CFEDMN COC[C@H](N[C@H]1CC[C@@H](C#N)C1)c1ccc(F)c(F)c1 ZINC000349344689 393967975 /nfs/dbraw/zinc/96/79/75/393967975.db2.gz TULIRKZLGWZBHL-GMXABZIVSA-N 0 1 280.318 2.934 20 30 CFEDMN CC[C@H]1CCN(CC(=O)Nc2ccc(C#N)c(Cl)c2)C1 ZINC000125714836 394012241 /nfs/dbraw/zinc/01/22/41/394012241.db2.gz COQBHKJHSIMKMA-NSHDSACASA-N 0 1 291.782 2.882 20 30 CFEDMN C=C(C)CSc1nc(-c2ccc3c(c2)OCCO3)n[nH]1 ZINC000355255602 394061529 /nfs/dbraw/zinc/06/15/29/394061529.db2.gz SEVNCDWJSMHGMI-UHFFFAOYSA-N 0 1 289.360 2.911 20 30 CFEDMN C=CCN1CC[C@@H](N(Cc2ccco2)C2CCCC2)C1=O ZINC000281907896 394092144 /nfs/dbraw/zinc/09/21/44/394092144.db2.gz GFIRYYDUSMABGP-MRXNPFEDSA-N 0 1 288.391 2.811 20 30 CFEDMN C=CCN1CC[C@H](N(C)[C@@H](C)c2ccc(F)cc2)C1=O ZINC000281921580 394094548 /nfs/dbraw/zinc/09/45/48/394094548.db2.gz HHRJDGADWAEDPD-WFASDCNBSA-N 0 1 276.355 2.605 20 30 CFEDMN Cc1cc(CN2CCC[C@@H]2[C@@H](O)C(F)(F)F)ccc1C#N ZINC000487903917 394029152 /nfs/dbraw/zinc/02/91/52/394029152.db2.gz CJPOZCWZUGXZLA-ZIAGYGMSSA-N 0 1 298.308 2.754 20 30 CFEDMN C=CCCC1(C(=O)Nc2nc(-c3ccccn3)n[nH]2)CC1 ZINC000359248087 394128058 /nfs/dbraw/zinc/12/80/58/394128058.db2.gz AVSQVJBDANPWTB-UHFFFAOYSA-N 0 1 283.335 2.552 20 30 CFEDMN C=CCCC1(C(=O)NCCCc2cn[nH]c2C)CC1 ZINC000359438503 394134132 /nfs/dbraw/zinc/13/41/32/394134132.db2.gz NZIFTSHEHVTMBM-UHFFFAOYSA-N 0 1 261.369 2.513 20 30 CFEDMN Cc1n[nH]c(C(C)C)c1C(=O)NCc1ccc(C#N)cc1 ZINC000135122669 394211389 /nfs/dbraw/zinc/21/13/89/394211389.db2.gz BFFSVVVKESGZQL-UHFFFAOYSA-N 0 1 282.347 2.643 20 30 CFEDMN Cc1cc(CNCc2ccc(C#N)s2)cc(C)n1 ZINC000421390446 394216960 /nfs/dbraw/zinc/21/69/60/394216960.db2.gz UVJHFWSVQFMWRG-UHFFFAOYSA-N 0 1 257.362 2.921 20 30 CFEDMN Cc1n[nH]c(C(C)C)c1C(=O)Nc1cccc(C#N)c1 ZINC000136068407 394229256 /nfs/dbraw/zinc/22/92/56/394229256.db2.gz CWKYMOGOIXTTTC-UHFFFAOYSA-N 0 1 268.320 2.966 20 30 CFEDMN N#CC1(c2ccccn2)CCN(CCc2ccccn2)CC1 ZINC000367066100 394250496 /nfs/dbraw/zinc/25/04/96/394250496.db2.gz LOWZOJUEDVKCHK-UHFFFAOYSA-N 0 1 292.386 2.576 20 30 CFEDMN N#Cc1ccc(COc2ccccc2-c2nnc[nH]2)cc1 ZINC000158108761 394354411 /nfs/dbraw/zinc/35/44/11/394354411.db2.gz OLRWCOIPSNOCFW-UHFFFAOYSA-N 0 1 276.299 2.922 20 30 CFEDMN CC[C@H](CC#N)NC(=O)c1c[nH]c2c(C)cccc2c1=O ZINC000166996165 394369949 /nfs/dbraw/zinc/36/99/49/394369949.db2.gz SMCMFWGMQMAHFJ-LLVKDONJSA-N 0 1 283.331 2.671 20 30 CFEDMN CSCCCN1CCN([C@H](C#N)c2ccccc2)CC1 ZINC000174578814 394379017 /nfs/dbraw/zinc/37/90/17/394379017.db2.gz ZCLUCTHBIGYJFC-MRXNPFEDSA-N 0 1 289.448 2.622 20 30 CFEDMN C=CCN1CC[C@@H](NC2(c3ccc(F)cc3)CCC2)C1=O ZINC000685002750 542886429 /nfs/dbraw/zinc/88/64/29/542886429.db2.gz JUUCKHWNADUJSX-OAHLLOKOSA-N 0 1 288.366 2.581 20 30 CFEDMN CCC#C[C@@H](C)N1CC[C@H](n2cc(Cl)cn2)C1 ZINC000685613409 542934134 /nfs/dbraw/zinc/93/41/34/542934134.db2.gz DYPSWTMNTSHTMF-YPMHNXCESA-N 0 1 251.761 2.585 20 30 CFEDMN N#CCCN(Cc1ccc2nc[nH]c2c1)CC1CC1 ZINC000538738889 394613583 /nfs/dbraw/zinc/61/35/83/394613583.db2.gz XPPHFDUTGPKTOU-UHFFFAOYSA-N 0 1 254.337 2.689 20 30 CFEDMN C[C@]1(CO)CCCN1Cc1ccc(C#N)cc1OC(F)F ZINC000546105097 394819216 /nfs/dbraw/zinc/81/92/16/394819216.db2.gz QLDWJUUDWKXZFR-OAHLLOKOSA-N 0 1 296.317 2.506 20 30 CFEDMN CC[C@H]1[C@H](C)CCN1Cc1cccc(C(=O)OC)c1C#N ZINC000547847340 394896248 /nfs/dbraw/zinc/89/62/48/394896248.db2.gz GOAPQTLVJHUKCQ-WBMJQRKESA-N 0 1 286.375 2.965 20 30 CFEDMN N#Cc1ccc(-c2nc(-c3ccc4[nH]cnc4c3)no2)nc1 ZINC000558332588 395057505 /nfs/dbraw/zinc/05/75/05/395057505.db2.gz FPEOORXLRWYIEQ-UHFFFAOYSA-N 0 1 288.270 2.547 20 30 CFEDMN C=CCOc1ccccc1-c1nc([C@@H]2CCCN2)no1 ZINC000647152554 395184374 /nfs/dbraw/zinc/18/43/74/395184374.db2.gz IJJUYFIUOZBEGL-LBPRGKRZSA-N 0 1 271.320 2.726 20 30 CFEDMN C=C[C@@H]1OCCC[C@H]1N[C@@H](C)c1cc2n(n1)CCCC2 ZINC000647305875 395282841 /nfs/dbraw/zinc/28/28/41/395282841.db2.gz DTZICFVJYNCCNT-BJJXKVORSA-N 0 1 275.396 2.604 20 30 CFEDMN C=C[C@@H]1OCC[C@H]1N[C@@H](C)c1nc(C)sc1C ZINC000648745341 395295539 /nfs/dbraw/zinc/29/55/39/395295539.db2.gz NFGZZOFBKXLADJ-AXTRIDKLSA-N 0 1 252.383 2.754 20 30 CFEDMN CCn1nccc1C(=O)C(C#N)c1nc(C2CC2)cs1 ZINC000647379277 395320350 /nfs/dbraw/zinc/32/03/50/395320350.db2.gz XBVZWSXMMLQABX-JTQLQIEISA-N 0 1 286.360 2.727 20 30 CFEDMN C=CCC1(C(=O)N2CCC(c3nc[nH]n3)CC2)CCCC1 ZINC000649093045 395427205 /nfs/dbraw/zinc/42/72/05/395427205.db2.gz QUHYVGAXTAPPSC-UHFFFAOYSA-N 0 1 288.395 2.647 20 30 CFEDMN C=C(C)CCN1Cc2ccccc2C[C@@H]1C(=O)NC1CC1 ZINC000649661098 395547237 /nfs/dbraw/zinc/54/72/37/395547237.db2.gz MRZMNXSNRRVYNE-QGZVFWFLSA-N 0 1 284.403 2.658 20 30 CFEDMN C=C(C)CN(C)C(=O)NC[C@@H](c1ccco1)N1CCCC1 ZINC000182106720 543027765 /nfs/dbraw/zinc/02/77/65/543027765.db2.gz XJNSSZBKBCVMAY-AWEZNQCLSA-N 0 1 291.395 2.634 20 30 CFEDMN CCN(CC#Cc1ccc(F)cc1)[C@@H]1CCCOC1 ZINC000649756339 395566287 /nfs/dbraw/zinc/56/62/87/395566287.db2.gz NIQGHSQDQDXNHH-MRXNPFEDSA-N 0 1 261.340 2.678 20 30 CFEDMN COCC#CCNC1(c2ccc(C(F)(F)F)cc2)CC1 ZINC000649885856 395584950 /nfs/dbraw/zinc/58/49/50/395584950.db2.gz BGSCVMFSYCQYLK-UHFFFAOYSA-N 0 1 283.293 2.934 20 30 CFEDMN CC(C)CCNC(=O)[C@H](C)N[C@H](C)c1cccc(C#N)c1 ZINC000610346305 397587681 /nfs/dbraw/zinc/58/76/81/397587681.db2.gz SMNPNDZOMHZBDZ-KGLIPLIRSA-N 0 1 287.407 2.760 20 30 CFEDMN C=CCN(C1CC1)[C@H]1CCCN(Cc2ccccc2)C1=O ZINC000370507865 260067609 /nfs/dbraw/zinc/06/76/09/260067609.db2.gz MCLBYYBSWBRSPU-KRWDZBQOSA-N 0 1 284.403 2.828 20 30 CFEDMN C=CCCNC(=O)NC[C@@H](c1ccco1)N1CCCCC1 ZINC000663433242 413204538 /nfs/dbraw/zinc/20/45/38/413204538.db2.gz MDWJYBBMZNLXAO-AWEZNQCLSA-N 0 1 291.395 2.682 20 30 CFEDMN C[C@H]1CCN(Cc2ccc(C#N)cc2C(F)(F)F)[C@@H]1CO ZINC000356425818 155260783 /nfs/dbraw/zinc/26/07/83/155260783.db2.gz NNFLRBSJPDFGAS-IINYFYTJSA-N 0 1 298.308 2.780 20 30 CFEDMN C[C@H](CNCc1cc(C#N)cs1)[N@@H+]1CCCC[C@@H]1C ZINC000343275330 154164949 /nfs/dbraw/zinc/16/49/49/154164949.db2.gz HMXNZUUVUZMXON-QWHCGFSZSA-N 0 1 277.437 2.972 20 30 CFEDMN N#Cc1cc(CN2CCCC[C@H]2Cn2cccn2)ccc1F ZINC000362822996 156093228 /nfs/dbraw/zinc/09/32/28/156093228.db2.gz OAHOBFBGZZCULK-INIZCTEOSA-N 0 1 298.365 2.949 20 30 CFEDMN N#Cc1ccc(C(=O)Nc2ccc3nc[nH]c3c2)s1 ZINC000362996308 156140522 /nfs/dbraw/zinc/14/05/22/156140522.db2.gz IZGNSDSBAZLZBJ-UHFFFAOYSA-N 0 1 268.301 2.748 20 30 CFEDMN N#Cc1ccc(NC(=O)CN2C[C@H]3CCCCC[C@@H]32)cc1 ZINC000363037500 156143600 /nfs/dbraw/zinc/14/36/00/156143600.db2.gz GSZIABKBIAXKCT-ZBFHGGJFSA-N 0 1 283.375 2.761 20 30 CFEDMN COc1ccc(C#N)cc1CN1CCC(n2cccn2)CC1 ZINC000363518529 156177177 /nfs/dbraw/zinc/17/71/77/156177177.db2.gz XIKMFCUBQJEHBI-UHFFFAOYSA-N 0 1 296.374 2.600 20 30 CFEDMN N#Cc1cccc(C(=O)Nc2ccccc2-c2nnc[nH]2)c1 ZINC000363527249 156179985 /nfs/dbraw/zinc/17/99/85/156179985.db2.gz JHHHGUKTKXKRQF-UHFFFAOYSA-N 0 1 289.298 2.596 20 30 CFEDMN C=CC[C@H]1CCCC[C@H]1NC(=O)NCc1cn[nH]c1C ZINC000663690122 413321604 /nfs/dbraw/zinc/32/16/04/413321604.db2.gz QDHLULPBAVVNMK-GXTWGEPZSA-N 0 1 276.384 2.652 20 30 CFEDMN N#Cc1ccc(N2CCCN(Cc3cncs3)CC2)cc1 ZINC000367225568 156298975 /nfs/dbraw/zinc/29/89/75/156298975.db2.gz DQODADCDSHSMRK-UHFFFAOYSA-N 0 1 298.415 2.727 20 30 CFEDMN CCOC(=O)CC[N@@H+]1CC=C(c2ccc(C#N)cc2)CC1 ZINC000367216266 156299040 /nfs/dbraw/zinc/29/90/40/156299040.db2.gz UHMQXTCFCBOMBQ-UHFFFAOYSA-N 0 1 284.359 2.601 20 30 CFEDMN Cc1n[nH]cc1C1CCN(Cc2ccccc2C#N)CC1 ZINC000375352381 157232734 /nfs/dbraw/zinc/23/27/34/157232734.db2.gz HXXHBFCNDIPRQE-UHFFFAOYSA-N 0 1 280.375 2.969 20 30 CFEDMN C=C(C)CN(Cc1cnn(C(C)C)c1)C[C@@H](COC)OC ZINC000660537118 413378410 /nfs/dbraw/zinc/37/84/10/413378410.db2.gz AGBYXPYZJZBBGO-INIZCTEOSA-N 0 1 295.427 2.504 20 30 CFEDMN C[C@H](CNC(=O)c1ccc(C#N)cc1)[N@H+]1CCCC[C@H]1C ZINC000344620724 162083742 /nfs/dbraw/zinc/08/37/42/162083742.db2.gz PWEZPTMDAFORRT-ZIAGYGMSSA-N 0 1 285.391 2.551 20 30 CFEDMN Cc1ccsc1[C@H](CO)NCc1ccc(C#N)s1 ZINC000344700493 162103087 /nfs/dbraw/zinc/10/30/87/162103087.db2.gz OSSFGLOYQVFDFR-LBPRGKRZSA-N 0 1 278.402 2.813 20 30 CFEDMN CC(=O)Nc1ccccc1CNCc1ccc(C#N)s1 ZINC000344749710 162115556 /nfs/dbraw/zinc/11/55/56/162115556.db2.gz BKZYNKYSAQHRHW-UHFFFAOYSA-N 0 1 285.372 2.868 20 30 CFEDMN CCc1nn(C)cc1CN[C@@H](C)c1ccc(C#N)c(F)c1 ZINC000346126779 162323778 /nfs/dbraw/zinc/32/37/78/162323778.db2.gz GVNPNJQQTXEWRP-NSHDSACASA-N 0 1 286.354 2.844 20 30 CFEDMN COc1ccc(CN[C@H](C)c2ccc(C#N)c(F)c2)cn1 ZINC000346207919 162351092 /nfs/dbraw/zinc/35/10/92/162351092.db2.gz WFUNZFLPBNWIGF-LLVKDONJSA-N 0 1 285.322 2.952 20 30 CFEDMN N#Cc1cscc1C(=O)Nc1nc2ccc(F)cc2[nH]1 ZINC000351621823 163159661 /nfs/dbraw/zinc/15/96/61/163159661.db2.gz GDRODRPJEBUUCR-UHFFFAOYSA-N 0 1 286.291 2.887 20 30 CFEDMN N#Cc1csc(CN[C@@H]2C[C@H]2Cc2ccccc2)n1 ZINC000352809047 163238408 /nfs/dbraw/zinc/23/84/08/163238408.db2.gz FOZGYKDIDRALFM-TZMCWYRMSA-N 0 1 269.373 2.736 20 30 CFEDMN CCO[C@@H]1C[C@H](NCc2nc(C#N)cs2)C12CCCC2 ZINC000352810168 163239431 /nfs/dbraw/zinc/23/94/31/163239431.db2.gz MDPRETPJBJXGNT-QWHCGFSZSA-N 0 1 291.420 2.842 20 30 CFEDMN N#Cc1csc(CNCCCNc2cccc(F)c2)n1 ZINC000352862920 163255148 /nfs/dbraw/zinc/25/51/48/163255148.db2.gz QSZMWTIPUJDFIU-UHFFFAOYSA-N 0 1 290.367 2.746 20 30 CFEDMN Cc1sccc1CN1CCN(c2cccc(C#N)n2)CC1 ZINC000352957950 163277289 /nfs/dbraw/zinc/27/72/89/163277289.db2.gz WGEPJVXQSRJEOX-UHFFFAOYSA-N 0 1 298.415 2.645 20 30 CFEDMN COc1cc(C#N)ccc1CN1CC[C@@H](COC(F)F)C1 ZINC000353028263 163291533 /nfs/dbraw/zinc/29/15/33/163291533.db2.gz ZDPQXDQAUWAABT-GFCCVEGCSA-N 0 1 296.317 2.628 20 30 CFEDMN COc1cc(CNCc2cnn(C(C)C)c2)ccc1C#N ZINC000353235544 163323318 /nfs/dbraw/zinc/32/33/18/163323318.db2.gz ZGWOYRUYVXXGSH-UHFFFAOYSA-N 0 1 284.363 2.634 20 30 CFEDMN C=CCCn1cc(CN[C@H]2C[C@H]2C2CCCCC2)nn1 ZINC000657380413 413525228 /nfs/dbraw/zinc/52/52/28/413525228.db2.gz JJQKRYHWYLTNFI-HOTGVXAUSA-N 0 1 274.412 2.913 20 30 CFEDMN C=C(CC)CN(C)[C@H](c1nnc[nH]1)c1ccccc1 ZINC000660765442 413547275 /nfs/dbraw/zinc/54/72/75/413547275.db2.gz VVNVWAQNLFTMKF-AWEZNQCLSA-N 0 1 256.353 2.792 20 30 CFEDMN C=C(C)COCCNCc1ccc(F)c(F)c1F ZINC000657399142 413557959 /nfs/dbraw/zinc/55/79/59/413557959.db2.gz ORNMMCSCJWSOTK-UHFFFAOYSA-N 0 1 259.271 2.786 20 30 CFEDMN C=CC[C@H]1CCCC[C@@H]1NC(=O)NCC[N@H+](C)C1CC1 ZINC000660841614 413613001 /nfs/dbraw/zinc/61/30/01/413613001.db2.gz QLQNRJWCMAKFIW-ZFWWWQNUSA-N 0 1 279.428 2.515 20 30 CFEDMN CC#CCN1CCC(Oc2ccc(C#N)cc2F)CC1 ZINC000285464111 196292299 /nfs/dbraw/zinc/29/22/99/196292299.db2.gz JXNBQVYMPUIHJH-UHFFFAOYSA-N 0 1 272.323 2.564 20 30 CFEDMN C=CCC1(NC(=O)N[C@@H](C)Cc2cc(C)[nH]n2)CCCC1 ZINC000664474965 413792254 /nfs/dbraw/zinc/79/22/54/413792254.db2.gz LEJFAYJRIWJARC-LBPRGKRZSA-N 0 1 290.411 2.837 20 30 CFEDMN C=CCC1(NC(=O)N[C@H]2CCCc3cn[nH]c32)CCCC1 ZINC000664471242 413793308 /nfs/dbraw/zinc/79/33/08/413793308.db2.gz RFGKQPDZYRXEPY-ZDUSSCGKSA-N 0 1 288.395 2.975 20 30 CFEDMN C=CCCn1cc(CNCC(C)(C)C(O)(CC)CC)nn1 ZINC000657578156 413767563 /nfs/dbraw/zinc/76/75/63/413767563.db2.gz RHRMIAIZXBAKFU-UHFFFAOYSA-N 0 1 294.443 2.521 20 30 CFEDMN C=CCC[C@H](N[C@@H]1CC(=O)N(C2CC2)C1)c1ccco1 ZINC000285494422 196304424 /nfs/dbraw/zinc/30/44/24/196304424.db2.gz AMYQQNRXASLSNI-OCCSQVGLSA-N 0 1 274.364 2.640 20 30 CFEDMN C=CCN(Cc1cccc(C(C)=O)c1)[C@@H](C)COC ZINC000661240769 413841809 /nfs/dbraw/zinc/84/18/09/413841809.db2.gz QVMDFXNOLSSLRH-ZDUSSCGKSA-N 0 1 261.365 2.912 20 30 CFEDMN C=CCC[C@@H](O)CN1CC(C)(C)[C@H]1c1cccnc1 ZINC000664825534 413963918 /nfs/dbraw/zinc/96/39/18/413963918.db2.gz KQWBMISEMOKIEO-HUUCEWRRSA-N 0 1 260.381 2.792 20 30 CFEDMN C=CCC[C@@H](O)CN1CC(C)(C)[C@H]1c1ccncc1 ZINC000664834825 413965591 /nfs/dbraw/zinc/96/55/91/413965591.db2.gz VYRINVPVWVXSMQ-HUUCEWRRSA-N 0 1 260.381 2.792 20 30 CFEDMN C=CCNC(=O)[C@@H](C)N[C@@H](c1ccccc1F)C(C)C ZINC000661484486 414000268 /nfs/dbraw/zinc/00/02/68/414000268.db2.gz HLSJESZSVSXBAJ-IUODEOHRSA-N 0 1 278.371 2.803 20 30 CFEDMN C=CCN1CC[C@@H](N[C@@H](c2ccccc2F)C(C)C)C1=O ZINC000661482761 414002029 /nfs/dbraw/zinc/00/20/29/414002029.db2.gz COUHAXMNKCTQPE-HZPDHXFCSA-N 0 1 290.382 2.899 20 30 CFEDMN C[C@H]1CN(CC#Cc2cccc(Cl)c2)C[C@H](C)C1O ZINC000661623646 414089552 /nfs/dbraw/zinc/08/95/52/414089552.db2.gz GYTFFYMQCWTPHH-STQMWFEESA-N 0 1 277.795 2.640 20 30 CFEDMN C=C(C)CCN1C[C@@H](C)O[C@H](CC(F)(F)F)C1 ZINC000662232720 414466200 /nfs/dbraw/zinc/46/62/00/414466200.db2.gz BSSKWBCETGYEDM-GHMZBOCLSA-N 0 1 251.292 2.994 20 30 CFEDMN C=CCN1CC[C@@H](N[C@]2(c3ccccc3)CC2(C)C)C1=O ZINC000662341198 414512263 /nfs/dbraw/zinc/51/22/63/414512263.db2.gz QSZMMIQFONOJEV-QAPCUYQASA-N 0 1 284.403 2.688 20 30 CFEDMN C=CC[C@@H]1CCCN([C@H]2CC(=O)N(c3ccccc3)C2=O)C1 ZINC000656478421 414589468 /nfs/dbraw/zinc/58/94/68/414589468.db2.gz OBBBSYZNCSQVLA-ZBFHGGJFSA-N 0 1 298.386 2.607 20 30 CFEDMN C=CC[C@@H]1CCCN(C(=O)[C@@](C)(N)c2ccccc2)C1 ZINC000662858545 414624407 /nfs/dbraw/zinc/62/44/07/414624407.db2.gz YGKYKVFYMPLSGK-PBHICJAKSA-N 0 1 272.392 2.675 20 30 CFEDMN C=CC[C@@H]1CCCN(C(=O)[C@@H](N)c2ccccc2C)C1 ZINC000662635949 414582316 /nfs/dbraw/zinc/58/23/16/414582316.db2.gz POFQBSTUIYIJEH-ZBFHGGJFSA-N 0 1 272.392 2.810 20 30 CFEDMN C[C@@H](CCC#N)[NH+]1CCC(C(=O)c2ccc([O-])cc2)CC1 ZINC000663154161 414655169 /nfs/dbraw/zinc/65/51/69/414655169.db2.gz GKTBVDCMNZAXES-ZDUSSCGKSA-N 0 1 286.375 2.979 20 30 CFEDMN C=CCOc1cccc(CNCc2ccnn2CC)c1 ZINC000663348193 414678421 /nfs/dbraw/zinc/67/84/21/414678421.db2.gz MLLXUFONIJQGIK-UHFFFAOYSA-N 0 1 271.364 2.758 20 30 CFEDMN Cc1c(C(=O)C(C#N)c2ccncn2)cnc2ccccc12 ZINC000354466951 227004043 /nfs/dbraw/zinc/00/40/43/227004043.db2.gz KNFAWECEWWGZNK-CYBMUJFWSA-N 0 1 288.310 2.823 20 30 CFEDMN N#CCC1CCN([C@H]2CCCN(c3ccccc3)C2=O)CC1 ZINC000335978715 228173064 /nfs/dbraw/zinc/17/30/64/228173064.db2.gz WCMJJOKVCQLDFW-KRWDZBQOSA-N 0 1 297.402 2.808 20 30 CFEDMN N#CCC1CCN(C(=O)c2cc(-c3ccccc3)[nH]n2)CC1 ZINC000336034642 228180420 /nfs/dbraw/zinc/18/04/20/228180420.db2.gz LYNFLHKDLAIVBU-UHFFFAOYSA-N 0 1 294.358 2.843 20 30 CFEDMN C=CCCCN(C)CC(=O)Nc1cccc(OC)c1 ZINC000117870808 260117481 /nfs/dbraw/zinc/11/74/81/260117481.db2.gz CMVWIRMUQIUXNH-UHFFFAOYSA-N 0 1 262.353 2.532 20 30 CFEDMN CCCN(CC#N)C(=O)[C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000363374862 260145716 /nfs/dbraw/zinc/14/57/16/260145716.db2.gz INSWMKAUSOGKQH-KRWDZBQOSA-N 0 1 299.418 2.661 20 30 CFEDMN CCO[C@H]1C[C@@H](N(C)Cc2ccc(C#N)cn2)C12CCC2 ZINC000517956852 260328974 /nfs/dbraw/zinc/32/89/74/260328974.db2.gz KNEGABIEBNBZKS-CVEARBPZSA-N 0 1 285.391 2.733 20 30 CFEDMN N#CC1(c2ccccc2)CC(NCc2ccoc2)C1 ZINC000125991802 260344981 /nfs/dbraw/zinc/34/49/81/260344981.db2.gz QKSFVNVQLULPNI-UHFFFAOYSA-N 0 1 252.317 2.993 20 30 CFEDMN C[C@@H](CC#N)N(C)C(=O)c1cc(-c2ccc(F)cc2)[nH]n1 ZINC000103442513 260612776 /nfs/dbraw/zinc/61/27/76/260612776.db2.gz QJOPYCDWZNFPMF-JTQLQIEISA-N 0 1 286.310 2.590 20 30 CFEDMN CCN(CC)[C@@H](CNC(=O)CC#N)c1ccccc1Cl ZINC000153528597 261079906 /nfs/dbraw/zinc/07/99/06/261079906.db2.gz DLXWHRPNTQHKHO-AWEZNQCLSA-N 0 1 293.798 2.753 20 30 CFEDMN CCN(C[C@H](C)C#N)C(=O)CCc1nc2cccc(C)c2[nH]1 ZINC000175580157 261234454 /nfs/dbraw/zinc/23/44/54/261234454.db2.gz ACJOMJWANFCHRI-GFCCVEGCSA-N 0 1 298.390 2.812 20 30 CFEDMN C=C[C@@](C)(CC)C(=O)N1CCN(CCOC)[C@H](CCC)C1 ZINC000249125432 261248556 /nfs/dbraw/zinc/24/85/56/261248556.db2.gz UROHTKYTIYNXGO-WBVHZDCISA-N 0 1 296.455 2.548 20 30 CFEDMN N#C[C@@H](C(=O)c1cscn1)c1nc2ccccc2[nH]1 ZINC000103329244 261280215 /nfs/dbraw/zinc/28/02/15/261280215.db2.gz RIZIZJOHXQQPGG-QMMMGPOBSA-N 0 1 268.301 2.509 20 30 CFEDMN N#CC(C(=O)c1cscn1)c1nc2ccccc2[nH]1 ZINC000103329244 261280217 /nfs/dbraw/zinc/28/02/17/261280217.db2.gz RIZIZJOHXQQPGG-QMMMGPOBSA-N 0 1 268.301 2.509 20 30 CFEDMN C=CC[C@H](C)NC(=O)CCc1nc2cccc(C)c2[nH]1 ZINC000176615378 261301731 /nfs/dbraw/zinc/30/17/31/261301731.db2.gz YZZGKJJHBFVJHX-LBPRGKRZSA-N 0 1 271.364 2.885 20 30 CFEDMN CC#CCCN1Cc2ccccc2[C@H](n2cccn2)C1 ZINC000368486710 261858944 /nfs/dbraw/zinc/85/89/44/261858944.db2.gz OVYKJGSMEDCUTE-QGZVFWFLSA-N 0 1 265.360 2.702 20 30 CFEDMN CC[C@H](CC#N)NC(=O)[C@H](c1ccccc1)N(CC)CC ZINC000183964360 262002809 /nfs/dbraw/zinc/00/28/09/262002809.db2.gz JCLLQVGHXMAAIC-CVEARBPZSA-N 0 1 287.407 2.878 20 30 CFEDMN CCCOc1ccc(CN[C@@H](CC)CC#N)c(O)c1 ZINC000184095007 262008761 /nfs/dbraw/zinc/00/87/61/262008761.db2.gz GXJCWQHWFAEGMF-ZDUSSCGKSA-N 0 1 262.353 2.963 20 30 CFEDMN N#CC1(NC(=O)CN2CCC3(CCCCC3)CC2)CCC1 ZINC000363896872 262014754 /nfs/dbraw/zinc/01/47/54/262014754.db2.gz NUOIYOKJWRSLGD-UHFFFAOYSA-N 0 1 289.423 2.595 20 30 CFEDMN C[C@H]1CCC[C@H](C)N1CC(=O)NC1(C#N)CCCCC1 ZINC000108864502 262064966 /nfs/dbraw/zinc/06/49/66/262064966.db2.gz CWAHSXKDBDDTBW-KBPBESRZSA-N 0 1 277.412 2.592 20 30 CFEDMN CN(CCC#N)C(=O)c1cn[nH]c1-c1ccc(Cl)s1 ZINC000188592375 262158681 /nfs/dbraw/zinc/15/86/81/262158681.db2.gz UKCOZHZKLPWYFF-UHFFFAOYSA-N 0 1 294.767 2.777 20 30 CFEDMN C#CCCCCC(=O)NCC1(C)CN(Cc2ccccc2)C1 ZINC000364332853 262204397 /nfs/dbraw/zinc/20/43/97/262204397.db2.gz RGLUTZXMKDXBCZ-UHFFFAOYSA-N 0 1 298.430 2.818 20 30 CFEDMN C=CC1CCN([C@H](C)C(=O)Nc2ccc(Cl)cn2)CC1 ZINC000111258689 262258794 /nfs/dbraw/zinc/25/87/94/262258794.db2.gz VASAQPKARLWHBM-LLVKDONJSA-N 0 1 293.798 2.960 20 30 CFEDMN C=CC1CCN(CC(=O)NCc2cccc(C)c2)CC1 ZINC000111258415 262259093 /nfs/dbraw/zinc/25/90/93/262259093.db2.gz CANLTVCOWQQMTH-UHFFFAOYSA-N 0 1 272.392 2.509 20 30 CFEDMN CCCN(CC#N)Cc1nc2c(s1)CN(C(C)C)CC2 ZINC000365107232 262278904 /nfs/dbraw/zinc/27/89/04/262278904.db2.gz GGOKEFMJHXWXTC-UHFFFAOYSA-N 0 1 292.452 2.645 20 30 CFEDMN O[C@]1(c2ccc(F)cc2)CCN(CC#Cc2ccccc2)C1 ZINC000365253340 262355603 /nfs/dbraw/zinc/35/56/03/262355603.db2.gz DOKMHOXBLYWGLQ-LJQANCHMSA-N 0 1 295.357 2.771 20 30 CFEDMN O[C@H]1CCN(CC#Cc2ccccc2)Cc2ccccc21 ZINC000365257023 262355745 /nfs/dbraw/zinc/35/57/45/262355745.db2.gz QAAAWVXOELTPIL-IBGZPJMESA-N 0 1 277.367 2.977 20 30 CFEDMN C=C[C@H](CO)N[C@H]1C[C@@H](C)Sc2sccc21 ZINC000336668411 262378191 /nfs/dbraw/zinc/37/81/91/262378191.db2.gz GBIZHCONEWKHMS-KKZNHRDASA-N 0 1 255.408 2.810 20 30 CFEDMN Cn1cc(CN2CCC(C)(C#N)CC2)c(C(C)(C)C)n1 ZINC000272481635 263005108 /nfs/dbraw/zinc/00/51/08/263005108.db2.gz CBVYYGXFDPFGPM-UHFFFAOYSA-N 0 1 274.412 2.843 20 30 CFEDMN C#CCOc1ccccc1CN1CCC(C)(C#N)CC1 ZINC000272483234 263005339 /nfs/dbraw/zinc/00/53/39/263005339.db2.gz CMUVZTOIOIUMCZ-UHFFFAOYSA-N 0 1 268.360 2.824 20 30 CFEDMN CCN(CCC#N)C(=O)CN1CC[C@@H](c2cccc(C)c2)C1 ZINC000273136392 263013139 /nfs/dbraw/zinc/01/31/39/263013139.db2.gz UPJYTVWZLHMUDV-QGZVFWFLSA-N 0 1 299.418 2.547 20 30 CFEDMN C=C(C)[C@@H]1OCCC[C@@H]1c1nc(C2(N)CCCC2)no1 ZINC000414624297 263015568 /nfs/dbraw/zinc/01/55/68/263015568.db2.gz GDDMDKDONONWNF-RYUDHWBXSA-N 0 1 277.368 2.636 20 30 CFEDMN C#CCN(Cc1ccc(OC)c(OCCCC#N)c1)C1CC1 ZINC000274100128 263021494 /nfs/dbraw/zinc/02/14/94/263021494.db2.gz JPWZAOUJVCEYDI-UHFFFAOYSA-N 0 1 298.386 2.975 20 30 CFEDMN Cc1cccc(N2CCN([C@@H](C)CCC#N)CC2)c1 ZINC000276315813 263036103 /nfs/dbraw/zinc/03/61/03/263036103.db2.gz NIJUKZKVZJRFMM-HNNXBMFYSA-N 0 1 257.381 2.809 20 30 CFEDMN CC1(C)CCCN(C(=O)c2[nH]nc3ccccc32)[C@H]1C#N ZINC000277464090 263041292 /nfs/dbraw/zinc/04/12/92/263041292.db2.gz HHCOZQLRWDSREL-ZDUSSCGKSA-N 0 1 282.347 2.717 20 30 CFEDMN CC(C)C(N)=NOCc1ccc(C(F)(F)F)cn1 ZINC000277474687 263041432 /nfs/dbraw/zinc/04/14/32/263041432.db2.gz AZDOWFIQCMVDNP-UHFFFAOYSA-N 0 1 261.247 2.545 20 30 CFEDMN CN([C@@H]1CC[C@@H](C#N)C1)[C@H]1CCCN(c2ccccc2)C1=O ZINC000278669295 263049726 /nfs/dbraw/zinc/04/97/26/263049726.db2.gz QWEAPGUJIOFSAY-OIISXLGYSA-N 0 1 297.402 2.806 20 30 CFEDMN N#C[C@H]1CCC[C@H](NCc2cn3ccsc3n2)C1 ZINC000278733230 263050092 /nfs/dbraw/zinc/05/00/92/263050092.db2.gz MYJWDVVUEJDCBL-QWRGUYRKSA-N 0 1 260.366 2.568 20 30 CFEDMN CC1(C)[C@H](NCCC#N)C[C@H]1OCc1ccccc1 ZINC000278749994 263050458 /nfs/dbraw/zinc/05/04/58/263050458.db2.gz SJDXDMQMJGHFRS-HUUCEWRRSA-N 0 1 258.365 2.874 20 30 CFEDMN CN(CC#Cc1ccc(C(F)(F)F)cc1)C1CC(O)C1 ZINC000353480929 263088146 /nfs/dbraw/zinc/08/81/46/263088146.db2.gz JQDOTPUHWOTKCE-UHFFFAOYSA-N 0 1 283.293 2.512 20 30 CFEDMN N#CCSCCCN1CCCC[C@H]1c1cc[nH]n1 ZINC000285443434 263093074 /nfs/dbraw/zinc/09/30/74/263093074.db2.gz RYPXESZTWJVYKT-ZDUSSCGKSA-N 0 1 264.398 2.584 20 30 CFEDMN CN(CCCC#N)CCc1nc(-c2ccccc2)no1 ZINC000285949438 263096613 /nfs/dbraw/zinc/09/66/13/263096613.db2.gz MPPADLWWGHAIDZ-UHFFFAOYSA-N 0 1 270.336 2.515 20 30 CFEDMN CC[C@@](C)(C#N)C(=O)Nc1cc2cn[nH]c2cc1C ZINC000286593707 263099049 /nfs/dbraw/zinc/09/90/49/263099049.db2.gz WIYOYWNTQYYEPT-AWEZNQCLSA-N 0 1 256.309 2.750 20 30 CFEDMN COc1ccncc1CN[C@@H](C)c1ccc(OCC#N)cc1 ZINC000287763400 263102492 /nfs/dbraw/zinc/10/24/92/263102492.db2.gz MIIIHATXYQBFAK-ZDUSSCGKSA-N 0 1 297.358 2.843 20 30 CFEDMN CC(C)(CCC#N)CNCc1nccc(C(F)F)n1 ZINC000288404752 263104227 /nfs/dbraw/zinc/10/42/27/263104227.db2.gz IIKYEOBOJPLYEH-UHFFFAOYSA-N 0 1 268.311 2.834 20 30 CFEDMN COc1ccc2c(c1)C1(CC1)CN(CCCC#N)C2 ZINC000289495236 263110606 /nfs/dbraw/zinc/11/06/06/263110606.db2.gz JJWGPRVFGGVFFK-UHFFFAOYSA-N 0 1 256.349 2.846 20 30 CFEDMN CN(Cc1cn(C)nc1C(F)(F)F)[C@@H]1CC[C@H](C#N)C1 ZINC000293886979 263151846 /nfs/dbraw/zinc/15/18/46/263151846.db2.gz UQHGODAZVFBILT-GXSJLCMTSA-N 0 1 286.301 2.563 20 30 CFEDMN Cc1nc2c(s1)[C@H]([N@@H+](C)CCOCCC#N)CCC2 ZINC000293902263 263151969 /nfs/dbraw/zinc/15/19/69/263151969.db2.gz WBOAFLSELZHQPB-CYBMUJFWSA-N 0 1 279.409 2.691 20 30 CFEDMN N#C[C@@]1(C(=O)Nc2ccc3nc[nH]c3c2)CC12CCCC2 ZINC000294689243 263166232 /nfs/dbraw/zinc/16/62/32/263166232.db2.gz KMBPAWJQVCGQQN-MRXNPFEDSA-N 0 1 280.331 2.975 20 30 CFEDMN C[C@@H](CC#N)N(C)Cc1cc(Cl)c(F)cc1O ZINC000295287782 263175617 /nfs/dbraw/zinc/17/56/17/263175617.db2.gz IZPZNGSRUZBGII-QMMMGPOBSA-N 0 1 256.708 2.919 20 30 CFEDMN C[C@H](CC#N)N(C)Cc1cc(Cl)c(F)cc1O ZINC000295287779 263175628 /nfs/dbraw/zinc/17/56/28/263175628.db2.gz IZPZNGSRUZBGII-MRVPVSSYSA-N 0 1 256.708 2.919 20 30 CFEDMN COc1ccc(N2CCN([C@@H](C)CCC#N)CC2)cc1 ZINC000297729329 263208775 /nfs/dbraw/zinc/20/87/75/263208775.db2.gz CMAQKYXAIAYWCZ-AWEZNQCLSA-N 0 1 273.380 2.509 20 30 CFEDMN C[C@@H](CCC#N)N1CCC[C@H](Oc2ncccc2F)C1 ZINC000298551716 263221787 /nfs/dbraw/zinc/22/17/87/263221787.db2.gz OGDBYAJMPHYTAP-STQMWFEESA-N 0 1 277.343 2.756 20 30 CFEDMN CN1CCC[C@H]1C(=O)Nc1ccc(C(C)(C)C#N)cc1 ZINC000299495670 263243707 /nfs/dbraw/zinc/24/37/07/263243707.db2.gz GXCVWWBTJMFPCP-AWEZNQCLSA-N 0 1 271.364 2.520 20 30 CFEDMN C=C(C)C[N@H+](CC)[C@@H](C)C(=O)Nc1ccccc1C#N ZINC000120109003 263281910 /nfs/dbraw/zinc/28/19/10/263281910.db2.gz JWBWDVFTBHZIHM-ZDUSSCGKSA-N 0 1 271.364 2.783 20 30 CFEDMN C=C(C)CN(CC)[C@@H](C)C(=O)Nc1ccccc1C#N ZINC000120109003 263281911 /nfs/dbraw/zinc/28/19/11/263281911.db2.gz JWBWDVFTBHZIHM-ZDUSSCGKSA-N 0 1 271.364 2.783 20 30 CFEDMN C=CCCC[N@H+](C)CC(=O)NCc1cccc(C)c1 ZINC000121118230 263289552 /nfs/dbraw/zinc/28/95/52/263289552.db2.gz DTNULQNZPAVESU-UHFFFAOYSA-N 0 1 260.381 2.509 20 30 CFEDMN C[C@H]1C[C@H](O)CN1CC#Cc1ccc(C(F)(F)F)cc1 ZINC000340913797 263314312 /nfs/dbraw/zinc/31/43/12/263314312.db2.gz GZLFYOQSXYZFBK-FZMZJTMJSA-N 0 1 283.293 2.512 20 30 CFEDMN CCN1CCN(C(=O)C[C@@H](CC#N)c2ccccc2)[C@@H](C)C1 ZINC000341788099 263351699 /nfs/dbraw/zinc/35/16/99/263351699.db2.gz JGAWRJCAHFMKJA-DOTOQJQBSA-N 0 1 299.418 2.627 20 30 CFEDMN COCC1(C#N)CCN(CCO[C@H]2CCCC[C@@H]2C)CC1 ZINC000341978596 263369971 /nfs/dbraw/zinc/36/99/71/263369971.db2.gz AOLSIWHFAYMGMU-HOTGVXAUSA-N 0 1 294.439 2.834 20 30 CFEDMN COCC1(C#N)CCN(Cc2sc(C)nc2C)CC1 ZINC000341969349 263371918 /nfs/dbraw/zinc/37/19/18/263371918.db2.gz BWKBDBNZTFNVNW-UHFFFAOYSA-N 0 1 279.409 2.512 20 30 CFEDMN COCC1(C#N)CCN(C/C=C/c2ccccc2)CC1 ZINC000341973470 263372450 /nfs/dbraw/zinc/37/24/50/263372450.db2.gz GQDAUASYJUMUPR-VMPITWQZSA-N 0 1 270.376 2.952 20 30 CFEDMN C=C1CCN([C@H](C)C(=O)N2[C@@H](C)CCC[C@@H]2C)CC1 ZINC000342184391 263395226 /nfs/dbraw/zinc/39/52/26/263395226.db2.gz RIZPQFDZSPNBGX-SOUVJXGZSA-N 0 1 264.413 2.816 20 30 CFEDMN C=CCOc1ccccc1C[N@H+]1CCC[C@H](n2ccnn2)C1 ZINC000425346743 264019409 /nfs/dbraw/zinc/01/94/09/264019409.db2.gz GLNWBQOSFSSXQI-INIZCTEOSA-N 0 1 298.390 2.680 20 30 CFEDMN C=CCOc1ccccc1CN1CCC[C@H](n2ccnn2)C1 ZINC000425346743 264019411 /nfs/dbraw/zinc/01/94/11/264019411.db2.gz GLNWBQOSFSSXQI-INIZCTEOSA-N 0 1 298.390 2.680 20 30 CFEDMN C=CCOc1ccccc1C[N@H+]1CCC[C@@H](n2ccnn2)C1 ZINC000425346745 264019599 /nfs/dbraw/zinc/01/95/99/264019599.db2.gz GLNWBQOSFSSXQI-MRXNPFEDSA-N 0 1 298.390 2.680 20 30 CFEDMN C=CCOc1ccccc1CN1CCC[C@@H](n2ccnn2)C1 ZINC000425346745 264019601 /nfs/dbraw/zinc/01/96/01/264019601.db2.gz GLNWBQOSFSSXQI-MRXNPFEDSA-N 0 1 298.390 2.680 20 30 CFEDMN Cc1cc(C)c([NH+]=C([O-])N[C@H](C)Cn2ccnc2)c(C)n1 ZINC000331250350 264181044 /nfs/dbraw/zinc/18/10/44/264181044.db2.gz YMAKKSLJLOHOJP-GFCCVEGCSA-N 0 1 287.367 2.618 20 30 CFEDMN CCC[C@H](NC(=O)N(C)Cc1nnc[nH]1)C1CCCCC1 ZINC000331300859 264199765 /nfs/dbraw/zinc/19/97/65/264199765.db2.gz AAEOVKCPWIGAII-ZDUSSCGKSA-N 0 1 293.415 2.900 20 30 CFEDMN C=CCC[C@@H](O)C[N@@H+]1C[C@H](c2ccccc2)OC[C@@H]1C ZINC000126507908 264217562 /nfs/dbraw/zinc/21/75/62/264217562.db2.gz HYNDGVIPHCRRBO-USXIJHARSA-N 0 1 275.392 2.776 20 30 CFEDMN C=CCC[C@@H](O)CN1C[C@H](c2ccccc2)OC[C@@H]1C ZINC000126507908 264217564 /nfs/dbraw/zinc/21/75/64/264217564.db2.gz HYNDGVIPHCRRBO-USXIJHARSA-N 0 1 275.392 2.776 20 30 CFEDMN C=C[C@@H](C)NC(=O)NC[C@H]1CCC[N@H+]1Cc1ccccc1 ZINC000128082244 264273982 /nfs/dbraw/zinc/27/39/82/264273982.db2.gz OTZWFFQPKAZZTG-GDBMZVCRSA-N 0 1 287.407 2.525 20 30 CFEDMN COC(=O)[C@H](CCN[C@H]1CCC[C@@H]1C#N)c1ccccc1 ZINC000425461599 264333795 /nfs/dbraw/zinc/33/37/95/264333795.db2.gz VBWBENHWGDIDIB-OAGGEKHMSA-N 0 1 286.375 2.615 20 30 CFEDMN C=CCCCN(C)CC(=O)Nc1cc(OC)cc(OC)c1 ZINC000076734674 264342699 /nfs/dbraw/zinc/34/26/99/264342699.db2.gz SWLXXIFQEHQRSV-UHFFFAOYSA-N 0 1 292.379 2.540 20 30 CFEDMN C=CCCCN(C)[C@H](C)c1nc2ccccc2c(=O)[nH]1 ZINC000076737348 264342972 /nfs/dbraw/zinc/34/29/72/264342972.db2.gz MBUHIGJVNLVAJH-GFCCVEGCSA-N 0 1 271.364 2.882 20 30 CFEDMN COC(=O)c1ccc(CN[C@@H]2CC[C@@H](C#N)C2)nc1C1CC1 ZINC000349126634 265167426 /nfs/dbraw/zinc/16/74/26/265167426.db2.gz HCPPZXDNKFPWEQ-DGCLKSJQSA-N 0 1 299.374 2.527 20 30 CFEDMN N#CC1(CSc2nc(-c3ccccn3)n[nH]2)CCC1 ZINC000519311163 265389342 /nfs/dbraw/zinc/38/93/42/265389342.db2.gz ZNBXUVFOPJBTCH-UHFFFAOYSA-N 0 1 271.349 2.653 20 30 CFEDMN N#CC1(c2ccccn2)CCN(C[C@@H]2CCC=CO2)CC1 ZINC000367243746 266168931 /nfs/dbraw/zinc/16/89/31/266168931.db2.gz MCYUCISWWKLFFS-HNNXBMFYSA-N 0 1 283.375 2.631 20 30 CFEDMN C=CCCCNC(=O)[C@H]1CCc2[nH]c(C(C)C)nc2C1 ZINC000357157357 266255579 /nfs/dbraw/zinc/25/55/79/266255579.db2.gz UAODDIJBBQOIOU-LBPRGKRZSA-N 0 1 275.396 2.720 20 30 CFEDMN C=CCCC1(C(=O)N2CCN(C)[C@H](C(C)C)C2)CC1 ZINC000357162895 266258265 /nfs/dbraw/zinc/25/82/65/266258265.db2.gz XCJLWFPALMONHC-AWEZNQCLSA-N 0 1 264.413 2.531 20 30 CFEDMN C[C@@H]1CCN(CC#Cc2ccc(C(F)(F)F)cc2)C[C@H]1O ZINC000357570022 266328176 /nfs/dbraw/zinc/32/81/76/266328176.db2.gz MGBPNQPTBBWQDX-IUODEOHRSA-N 0 1 297.320 2.760 20 30 CFEDMN C=CCCCC(=O)NC[C@@H](c1ccsc1)N(C)C ZINC000359051985 266527746 /nfs/dbraw/zinc/52/77/46/266527746.db2.gz DNBURVUZERTNGW-ZDUSSCGKSA-N 0 1 266.410 2.823 20 30 CFEDMN COc1cc(CNCc2cccc3c2OCO3)ccc1C#N ZINC000336861889 266826788 /nfs/dbraw/zinc/82/67/88/266826788.db2.gz GGDALRYEXFSMQF-UHFFFAOYSA-N 0 1 296.326 2.585 20 30 CFEDMN C=C(C)CN(C)[C@H]1CCCN(c2ccccc2)C1=O ZINC000115571552 267099243 /nfs/dbraw/zinc/09/92/43/267099243.db2.gz LXGLSXWBPVBTST-HNNXBMFYSA-N 0 1 258.365 2.690 20 30 CFEDMN C=CCCCN(C)CC(=O)Nc1cc(F)cc(F)c1 ZINC000117878149 267224098 /nfs/dbraw/zinc/22/40/98/267224098.db2.gz GNZMAKZRUBLHGG-UHFFFAOYSA-N 0 1 268.307 2.801 20 30 CFEDMN C=CC[C@H](CC)NC(=O)N1CCC(c2cnc[nH]2)CC1 ZINC000369934319 267277363 /nfs/dbraw/zinc/27/73/63/267277363.db2.gz QVFXAHKHTRGDFO-ZDUSSCGKSA-N 0 1 276.384 2.653 20 30 CFEDMN Cn1nccc1CCN1CCC[C@H]1[C@@H](C#N)c1ccccc1 ZINC000370325730 267309935 /nfs/dbraw/zinc/30/99/35/267309935.db2.gz LXJFUNXYTIDMPE-ROUUACIJSA-N 0 1 294.402 2.734 20 30 CFEDMN C=CCN1CC[C@@]12CCCN(C(=O)OC(C)(C)C)C2 ZINC000370606141 267331197 /nfs/dbraw/zinc/33/11/97/267331197.db2.gz HYGFHBAIQMJXNW-OAHLLOKOSA-N 0 1 266.385 2.648 20 30 CFEDMN N#CC1(NC(=O)CN2C[C@H]3CCCCC[C@@H]32)CCCCC1 ZINC000371134738 267353489 /nfs/dbraw/zinc/35/34/89/267353489.db2.gz UYOUQTDHMNXKHN-CABCVRRESA-N 0 1 289.423 2.594 20 30 CFEDMN N#CCCN(C(=O)CN1CC2CCC1CC2)c1ccccc1 ZINC000371393466 267399295 /nfs/dbraw/zinc/39/92/95/267399295.db2.gz PJWNPORNQRWMEY-UHFFFAOYSA-N 0 1 297.402 2.808 20 30 CFEDMN N#Cc1cccc([N+](=O)[O-])c1CN1CC[C@H](C2CC2)C1 ZINC000459366047 268290926 /nfs/dbraw/zinc/29/09/26/268290926.db2.gz CRQJBBILVDJGCK-ZDUSSCGKSA-N 0 1 271.320 2.698 20 30 CFEDMN N#Cc1csc(CNCc2ccnc(N3CCCC3)c2)c1 ZINC000517202966 270399529 /nfs/dbraw/zinc/39/95/29/270399529.db2.gz GOYZMKKOAYZRIJ-UHFFFAOYSA-N 0 1 298.415 2.905 20 30 CFEDMN C#CCN1CCC(C(=O)N2C[C@H](C)[C@H]2c2ccccc2)CC1 ZINC000173972975 273478627 /nfs/dbraw/zinc/47/86/27/273478627.db2.gz DXHQPILMFZVUMW-YJBOKZPZSA-N 0 1 296.414 2.551 20 30 CFEDMN COc1cc(C#N)ccc1CN1CCSC[C@@H]1C1CC1 ZINC000451655111 274090994 /nfs/dbraw/zinc/09/09/94/274090994.db2.gz QAWBKAIOGKFUTJ-OAHLLOKOSA-N 0 1 288.416 2.894 20 30 CFEDMN C[C@@H]1CN(Cc2ccccc2)CCN1c1ccc(C#N)cn1 ZINC000265652168 274354504 /nfs/dbraw/zinc/35/45/04/274354504.db2.gz VJSUMNSFLRGLKA-OAHLLOKOSA-N 0 1 292.386 2.664 20 30 CFEDMN C[C@H](C#N)C(=O)Nc1nc2ccc(C(F)(F)F)cc2[nH]1 ZINC000334799481 278132626 /nfs/dbraw/zinc/13/26/26/278132626.db2.gz PDDZLLWCHYCWFI-ZCFIWIBFSA-N 0 1 282.225 2.680 20 30 CFEDMN C[C@H](c1ccc(C#N)cc1)N1CCOC2(CCOCC2)C1 ZINC000135629189 278306052 /nfs/dbraw/zinc/30/60/52/278306052.db2.gz DMNHBMXDTKUSST-CQSZACIVSA-N 0 1 286.375 2.501 20 30 CFEDMN C[C@@H](N[C@H]1CCN(C(C)(C)C)C1=O)c1ccc(C#N)cc1 ZINC000424114352 278384450 /nfs/dbraw/zinc/38/44/50/278384450.db2.gz QOPZOBZDJRJTHG-DOMZBBRYSA-N 0 1 285.391 2.608 20 30 CFEDMN CCN(C)[C@@H](C(=O)N(C)CC(C)(C)C#N)c1ccccc1 ZINC000353286429 279041536 /nfs/dbraw/zinc/04/15/36/279041536.db2.gz DYQDFMIFKJCXGK-OAHLLOKOSA-N 0 1 287.407 2.688 20 30 CFEDMN C[C@@H]1Oc2cc(F)ccc2[C@@H]1N[C@@H]1CC[C@@H](C#N)C1 ZINC000348332888 279061683 /nfs/dbraw/zinc/06/16/83/279061683.db2.gz XYMITLCIOJWSEB-PETRGTFGSA-N 0 1 260.312 2.930 20 30 CFEDMN Cc1nc([C@H]2CCCCN2Cc2ccc(C#N)c(F)c2)n[nH]1 ZINC000408473302 279108196 /nfs/dbraw/zinc/10/81/96/279108196.db2.gz BTCSBMBIAMFBSP-OAHLLOKOSA-N 0 1 299.353 2.851 20 30 CFEDMN CC1(CN2CCN(c3ccc(C#N)cc3F)CC2)CC1 ZINC000562364222 282078444 /nfs/dbraw/zinc/07/84/44/282078444.db2.gz AQWOCTXDBKUCFJ-UHFFFAOYSA-N 0 1 273.355 2.619 20 30 CFEDMN Cc1ccc2ncc(CNCc3cccc(C#N)c3)n2c1 ZINC000155788538 289925628 /nfs/dbraw/zinc/92/56/28/289925628.db2.gz OKDDTDSISZQVBN-UHFFFAOYSA-N 0 1 276.343 2.804 20 30 CFEDMN CC(C)(O)CN(Cc1ccccc1)Cc1ccc(C#N)cn1 ZINC000563356501 290137288 /nfs/dbraw/zinc/13/72/88/290137288.db2.gz SKVDAPDWEMALEA-UHFFFAOYSA-N 0 1 295.386 2.726 20 30 CFEDMN N#Cc1ccc(CN2CC[C@]3(C2)OCc2ccccc23)nc1 ZINC000563545002 290159440 /nfs/dbraw/zinc/15/94/40/290159440.db2.gz GGPGWJQWRCGZOJ-GOSISDBHSA-N 0 1 291.354 2.585 20 30 CFEDMN CC(C)O[C@@H]1CCN(Cc2cc(C#N)cs2)C1 ZINC000566242452 290361759 /nfs/dbraw/zinc/36/17/59/290361759.db2.gz NPVXASDOIDRKSW-GFCCVEGCSA-N 0 1 250.367 2.619 20 30 CFEDMN C=C(C)CN1CC[C@@H]1CN(C)C(=O)C1CCCCC1 ZINC001085461400 782060450 /nfs/dbraw/zinc/06/04/50/782060450.db2.gz FYTRCBRARFCPIV-OAHLLOKOSA-N 0 1 264.413 2.676 20 30 CFEDMN N#Cc1c(F)cccc1N1CCCC[C@@H]1c1nnc[nH]1 ZINC000294422837 303176215 /nfs/dbraw/zinc/17/62/15/303176215.db2.gz ONAGETTXQXTJEC-CYBMUJFWSA-N 0 1 271.299 2.547 20 30 CFEDMN N#CCCN[C@@H]1CCc2cc(Br)ccc2C1 ZINC000082491302 327892619 /nfs/dbraw/zinc/89/26/19/327892619.db2.gz GCRTVQZNNXKTLB-CYBMUJFWSA-N 0 1 279.181 2.810 20 30 CFEDMN C[C@H](C(=O)N1C[C@H](C)C[C@@H](C)C1)N1CCC(CC#N)CC1 ZINC000541019579 328040707 /nfs/dbraw/zinc/04/07/07/328040707.db2.gz JNMFGCUSSHTRPJ-RBSFLKMASA-N 0 1 291.439 2.505 20 30 CFEDMN C=CCCCCCNC(=O)[C@@H]1CCCc2[nH]ncc21 ZINC000563547830 328073064 /nfs/dbraw/zinc/07/30/64/328073064.db2.gz QDBYFDYAAYFSBZ-GFCCVEGCSA-N 0 1 261.369 2.692 20 30 CFEDMN C=CCN(CC(F)(F)F)C(=O)[C@H](C)N1[C@H](C)CC[C@@H]1C ZINC000413288198 328143522 /nfs/dbraw/zinc/14/35/22/328143522.db2.gz VYEPBLYUZZQFGN-TUAOUCFPSA-N 0 1 292.345 2.825 20 30 CFEDMN CCC(N)=NOCc1cc([N+](=O)[O-])ccc1OC(C)C ZINC000264373669 328159360 /nfs/dbraw/zinc/15/93/60/328159360.db2.gz MNLDWXMDYVSHRG-UHFFFAOYSA-N 0 1 281.312 2.581 20 30 CFEDMN CC(C)C[C@@H](N)c1noc([C@@]2(C#N)CC23CCCC3)n1 ZINC000414621758 328204654 /nfs/dbraw/zinc/20/46/54/328204654.db2.gz MCQWFFVPARSRAE-ABAIWWIYSA-N 0 1 274.368 2.841 20 30 CFEDMN C=C(C)CN(C)[C@H](C)C(=O)N(C)C1CCCCC1 ZINC000181261927 329228339 /nfs/dbraw/zinc/22/83/39/329228339.db2.gz PZPBEXGXXUSPMA-CYBMUJFWSA-N 0 1 252.402 2.674 20 30 CFEDMN C=C(C)CN(C)[C@@H](CC)C(=O)Nc1ccc(OC)cc1 ZINC000181281593 329229317 /nfs/dbraw/zinc/22/93/17/329229317.db2.gz MWTXJIRVWWRKSA-HNNXBMFYSA-N 0 1 276.380 2.920 20 30 CFEDMN Cc1cc2cn[nH]c2c(C(=O)Nc2cc(CC#N)ccn2)c1 ZINC000531924502 328316278 /nfs/dbraw/zinc/31/62/78/328316278.db2.gz DVOKYJMQVDJOOU-UHFFFAOYSA-N 0 1 291.314 2.585 20 30 CFEDMN O=C(NCC#Cc1ccccc1)c1ccc(O)c(Cl)c1 ZINC000049346833 328355304 /nfs/dbraw/zinc/35/53/04/328355304.db2.gz AYPXYMYXJKPPFF-UHFFFAOYSA-N 0 1 285.730 2.827 20 30 CFEDMN CCNC(=O)c1cccc(CNCc2cc(C#N)cs2)c1 ZINC000177688521 323701350 /nfs/dbraw/zinc/70/13/50/323701350.db2.gz ZDJQICIUTBYFDG-UHFFFAOYSA-N 0 1 299.399 2.659 20 30 CFEDMN Cc1cc(S(=O)(=O)Nc2ccc(F)c(C#N)c2)c(C)o1 ZINC000182795340 323882359 /nfs/dbraw/zinc/88/23/59/323882359.db2.gz ABDGALJHPQAQOP-UHFFFAOYSA-N 0 1 294.307 2.708 20 30 CFEDMN N#Cc1ccc(C(=O)Nc2ccc(F)cc2)cc1O ZINC000188208449 324009968 /nfs/dbraw/zinc/00/99/68/324009968.db2.gz JACCPOZYFQMYKS-UHFFFAOYSA-N 0 1 256.236 2.655 20 30 CFEDMN COc1ccc(C#N)cc1CN1CCS[C@H](C)CC1 ZINC000192181529 324057100 /nfs/dbraw/zinc/05/71/00/324057100.db2.gz WPEFMPZMKXAJPG-GFCCVEGCSA-N 0 1 276.405 2.894 20 30 CFEDMN CC(=Cc1ccc(C)s1)c1nc(C)c(C#N)c(=O)[nH]1 ZINC000193610114 324073959 /nfs/dbraw/zinc/07/39/59/324073959.db2.gz VRWBYCAYZPOFDJ-SOFGYWHQSA-N 0 1 271.345 2.880 20 30 CFEDMN N#Cc1cccc(-c2nc(-c3ccn4cncc4c3)no2)c1 ZINC000351073525 324304536 /nfs/dbraw/zinc/30/45/36/324304536.db2.gz GNSCYWRUMFSWLO-UHFFFAOYSA-N 0 1 287.282 2.923 20 30 CFEDMN Cn1ncc2ccc(CNCc3ccc(C#N)cc3F)cc21 ZINC000580020812 324999262 /nfs/dbraw/zinc/99/92/62/324999262.db2.gz QRIVULLRJVYXRK-UHFFFAOYSA-N 0 1 294.333 2.874 20 30 CFEDMN CC#CCCCC(=O)NC[C@@H](c1ccco1)N1CCCC1 ZINC000184906185 328541096 /nfs/dbraw/zinc/54/10/96/328541096.db2.gz SVEKWOGCRGKHPW-HNNXBMFYSA-N 0 1 288.391 2.726 20 30 CFEDMN COc1ccccc1N1CCN(CCC(C)(C)C#N)CC1 ZINC000087595101 326993219 /nfs/dbraw/zinc/99/32/19/326993219.db2.gz WVTUIXCQFGUKSF-UHFFFAOYSA-N 0 1 287.407 2.757 20 30 CFEDMN N#CCC[C@@H](C#N)CNC1CC(c2ccccc2)C1 ZINC000558506475 327099349 /nfs/dbraw/zinc/09/93/49/327099349.db2.gz WUYJOBYIJHJGAX-JEYLPNPQSA-N 0 1 253.349 2.966 20 30 CFEDMN CC(C)[C@H](/N=C/c1cc(Cl)cc(Cl)c1O)C(N)=O ZINC000107098948 327247881 /nfs/dbraw/zinc/24/78/81/327247881.db2.gz IKBNDCWVMCHXQI-VIMFPOPESA-N 0 1 289.162 2.628 20 30 CFEDMN C#CCN1CCC(C(=O)N2[C@H](C)C[C@H]3CCCC[C@H]32)CC1 ZINC000246186276 327428301 /nfs/dbraw/zinc/42/83/01/327428301.db2.gz SLLNPVZAFMKUQX-DJIMGWMZSA-N 0 1 288.435 2.511 20 30 CFEDMN N#C[C@@H]1CC[C@H](NCc2cnc([C@@H]3CCCO3)s2)C1 ZINC000582235749 328835723 /nfs/dbraw/zinc/83/57/23/328835723.db2.gz CKTGAYOCXPTAJR-MDZLAQPJSA-N 0 1 277.393 2.776 20 30 CFEDMN C=CCC[C@H](CO)NCc1csc(C(C)(C)C)n1 ZINC000320927738 328838763 /nfs/dbraw/zinc/83/87/63/328838763.db2.gz DKUJMWBYYFLDQG-LLVKDONJSA-N 0 1 268.426 2.857 20 30 CFEDMN C=CCCCCNC(=O)N1CCC(c2cn[nH]c2C)CC1 ZINC000375180504 329001504 /nfs/dbraw/zinc/00/15/04/329001504.db2.gz LZWQLDNCAREUBO-UHFFFAOYSA-N 0 1 290.411 2.963 20 30 CFEDMN C#C[C@@H](C)NCc1ccc(-c2ccncc2)cc1F ZINC000377400669 329014103 /nfs/dbraw/zinc/01/41/03/329014103.db2.gz QXIHZUBFZAYOEX-GFCCVEGCSA-N 0 1 254.308 2.999 20 30 CFEDMN Clc1cccc(C#CCN2CCC[C@@]23CCOC3)c1 ZINC000377407404 329014307 /nfs/dbraw/zinc/01/43/07/329014307.db2.gz AIPWUGVJJWCLJI-INIZCTEOSA-N 0 1 275.779 2.946 20 30 CFEDMN C#Cc1ccc(CN2C[C@H](C)O[C@]3(CCO[C@H](C)C3)C2)cc1 ZINC000377710072 329026198 /nfs/dbraw/zinc/02/61/98/329026198.db2.gz ZYMKSTLXKWAIPN-GJYPPUQNSA-N 0 1 299.414 2.826 20 30 CFEDMN C[C@H](O)[C@H](N[C@H]1CC[C@@H](C#N)C1)c1ccccc1F ZINC000582489392 329097164 /nfs/dbraw/zinc/09/71/64/329097164.db2.gz AWMONSJLAOEJDX-OXIQGZBJSA-N 0 1 262.328 2.529 20 30 CFEDMN C=CCCCC(=O)N[C@H](c1n[nH]c(C)n1)c1ccccc1 ZINC000175541418 329169595 /nfs/dbraw/zinc/16/95/95/329169595.db2.gz PCQYCDOZMTXLED-HNNXBMFYSA-N 0 1 284.363 2.675 20 30 CFEDMN C=CCCCC(=O)N[C@@H](c1n[nH]c(C)n1)c1ccccc1 ZINC000175541400 329169632 /nfs/dbraw/zinc/16/96/32/329169632.db2.gz PCQYCDOZMTXLED-OAHLLOKOSA-N 0 1 284.363 2.675 20 30 CFEDMN C=CCCC[C@H](C)NC(=O)c1cccc(-c2nnc[nH]2)c1 ZINC000179799313 329212179 /nfs/dbraw/zinc/21/21/79/329212179.db2.gz VBGHGIIMWIHQSE-LBPRGKRZSA-N 0 1 284.363 2.946 20 30 CFEDMN C=C(C)CN(C)CC(=O)N(C)[C@H]1CCCC[C@@H]1C ZINC000181292913 329230008 /nfs/dbraw/zinc/23/00/08/329230008.db2.gz GMOPNOIBSBMQML-KBPBESRZSA-N 0 1 252.402 2.531 20 30 CFEDMN C=C(C)CN(C)[C@H](C)C(=O)NCCc1ccccc1C ZINC000181295670 329230166 /nfs/dbraw/zinc/23/01/66/329230166.db2.gz NUIFOWHNASUXGT-OAHLLOKOSA-N 0 1 274.408 2.550 20 30 CFEDMN C=C(C)C[C@@H](C)C(=O)N1CCN(C2CCCC2)CC1 ZINC000184948484 329266004 /nfs/dbraw/zinc/26/60/04/329266004.db2.gz JCQHKXPJXXZLEZ-CQSZACIVSA-N 0 1 264.413 2.676 20 30 CFEDMN COc1cc2[nH]c(CCCNCCC#N)cc2c(OC)c1 ZINC000582959827 329290003 /nfs/dbraw/zinc/29/00/03/329290003.db2.gz OKOPDVGROCWQOE-UHFFFAOYSA-N 0 1 287.363 2.621 20 30 CFEDMN CC[C@@H]1[C@@H](C)CC[N@H+]1CC(=O)N(C)C1(C#N)CCCCC1 ZINC000185647671 329328289 /nfs/dbraw/zinc/32/82/89/329328289.db2.gz QKLFWOJYIJNPSF-LSDHHAIUSA-N 0 1 291.439 2.792 20 30 CFEDMN C=CCN(C)Cc1cc(Br)c2c(c1)OCCO2 ZINC000189709507 329385528 /nfs/dbraw/zinc/38/55/28/329385528.db2.gz NUHBDKFMCPHQCG-UHFFFAOYSA-N 0 1 298.180 2.838 20 30 CFEDMN C=C(C)CN(CC)C(=O)[C@@H](C)N[C@@H](C)c1cccnc1 ZINC000192613009 329433291 /nfs/dbraw/zinc/43/32/91/329433291.db2.gz ZIJDBNVMFKNYBJ-UONOGXRCSA-N 0 1 275.396 2.545 20 30 CFEDMN CC(C)c1cccc(NC(=[NH2+])NCc2ncccc2[O-])c1 ZINC000262457832 330014459 /nfs/dbraw/zinc/01/44/59/330014459.db2.gz LRFIQYYJSDACTP-UHFFFAOYSA-N 0 1 284.363 2.837 20 30 CFEDMN C=CCOc1cccc(C[N@H+]2C[C@H](C)C[C@@H](C(=O)[O-])C2)c1 ZINC000263077842 330042342 /nfs/dbraw/zinc/04/23/42/330042342.db2.gz RARDBJJEANQDEU-UKRRQHHQSA-N 0 1 289.375 2.794 20 30 CFEDMN C[C@@H]1C[C@]1(C#N)C(=O)Nc1cccc2c1OCC[C@@H]2N(C)C ZINC000572454372 330106338 /nfs/dbraw/zinc/10/63/38/330106338.db2.gz ZCTCTGHSYKLZDJ-HYSWKAIVSA-N 0 1 299.374 2.560 20 30 CFEDMN CN(CC(=O)NC1(C#N)CCC1)[C@@H]1CCCc2ccccc21 ZINC000527128542 330224891 /nfs/dbraw/zinc/22/48/91/330224891.db2.gz SANLEOPJGKIOON-MRXNPFEDSA-N 0 1 297.402 2.558 20 30 CFEDMN C=C[C@@H]1OCC[C@H]1C[NH2+]Cc1cccc([O-])c1Cl ZINC000424169295 330310677 /nfs/dbraw/zinc/31/06/77/330310677.db2.gz HWGNYHRCTWBNOW-GWCFXTLKSA-N 0 1 267.756 2.726 20 30 CFEDMN C=CCn1cc(CN[C@H]2C[C@@H](OCCCC)C2(C)C)nn1 ZINC000424299685 330336844 /nfs/dbraw/zinc/33/68/44/330336844.db2.gz VYOLJNRDJVEMRA-LSDHHAIUSA-N 0 1 292.427 2.538 20 30 CFEDMN C=CCOc1ccc(C[N@@H+]2CCC[C@@H](C)[C@@H]2C(=O)[O-])cc1 ZINC000424413864 330350526 /nfs/dbraw/zinc/35/05/26/330350526.db2.gz GIOAFOBRVUXBJD-CZUORRHYSA-N 0 1 289.375 2.937 20 30 CFEDMN Cc1ccccc1CN1CCN(CC2(C#N)CCC2)CC1 ZINC000450217386 330966525 /nfs/dbraw/zinc/96/65/25/330966525.db2.gz PSNLIHUMAFNPAA-UHFFFAOYSA-N 0 1 283.419 2.807 20 30 CFEDMN C=CCN1C(=O)N=NC1SC1CC(OC(C)(C)C)C1 ZINC000450865230 331003633 /nfs/dbraw/zinc/00/36/33/331003633.db2.gz DGIUDUJPPBCCIJ-UHFFFAOYSA-N 0 1 283.397 2.608 20 30 CFEDMN C=CCCS(=O)(=O)Nc1scnc1C(C)C ZINC000451104258 331015620 /nfs/dbraw/zinc/01/56/20/331015620.db2.gz QOIUGFVAJFDEOB-UHFFFAOYSA-N 0 1 260.384 2.584 20 30 CFEDMN C=C[C@@H]1OCCC[C@H]1NCc1nc(C2CC2)cs1 ZINC000451680270 331038813 /nfs/dbraw/zinc/03/88/13/331038813.db2.gz JHNSPROTEGTILH-YPMHNXCESA-N 0 1 264.394 2.844 20 30 CFEDMN N#CCC[C@H](C#N)CN1CCCc2ccccc2CC1 ZINC000451734782 331040525 /nfs/dbraw/zinc/04/05/25/331040525.db2.gz CKFKPWQGWQYUGE-OAHLLOKOSA-N 0 1 267.376 2.921 20 30 CFEDMN CC(C)N(C)CC(=O)Nc1ccc(CC#N)cc1Cl ZINC000452642749 331070865 /nfs/dbraw/zinc/07/08/65/331070865.db2.gz IEUWAXQGRRSZOZ-UHFFFAOYSA-N 0 1 279.771 2.685 20 30 CFEDMN C=C(C)CCNC(=O)[C@H](c1ccccc1)N(C)CC ZINC000452720265 331073713 /nfs/dbraw/zinc/07/37/13/331073713.db2.gz DRLLICXEAUCZHO-HNNXBMFYSA-N 0 1 260.381 2.762 20 30 CFEDMN C=C[C@@H]1OCC[C@H]1N[C@@H](C)c1nc2ccccc2n1C ZINC000453360509 331122328 /nfs/dbraw/zinc/12/23/28/331122328.db2.gz OKYSHJAHZBTOPV-LNSITVRQSA-N 0 1 271.364 2.567 20 30 CFEDMN Cc1cc(C(=O)[C@H](C#N)c2cc(C)nc(C)n2)nn1C(C)C ZINC000453574665 331134591 /nfs/dbraw/zinc/13/45/91/331134591.db2.gz CBANVRIFSQFHQY-CYBMUJFWSA-N 0 1 297.362 2.669 20 30 CFEDMN Cc1cc(C(=O)C(C#N)c2cc(C)nc(C)n2)nn1C(C)C ZINC000453574665 331134592 /nfs/dbraw/zinc/13/45/92/331134592.db2.gz CBANVRIFSQFHQY-CYBMUJFWSA-N 0 1 297.362 2.669 20 30 CFEDMN C=C(CC)CNC(=O)NCc1ccc(CN(C)C)c(F)c1 ZINC000454721597 331152345 /nfs/dbraw/zinc/15/23/45/331152345.db2.gz APDQBHYYKAGCQC-UHFFFAOYSA-N 0 1 293.386 2.653 20 30 CFEDMN C=C(C)CCNC(=O)NC[C@H](c1cccs1)N(C)C ZINC000455313816 331165679 /nfs/dbraw/zinc/16/56/79/331165679.db2.gz QYGCHJSFFQQUGZ-GFCCVEGCSA-N 0 1 281.425 2.616 20 30 CFEDMN C=CCC1(CNC(=O)C(C)(C)c2cnc[nH]2)CCCC1 ZINC000456499317 331194423 /nfs/dbraw/zinc/19/44/23/331194423.db2.gz BHCAJGSUHGMERL-UHFFFAOYSA-N 0 1 275.396 2.940 20 30 CFEDMN C=C(CC)CNC(=O)[C@@H]1CCc2[nH]c(C(C)C)nc2C1 ZINC000456815689 331205577 /nfs/dbraw/zinc/20/55/77/331205577.db2.gz YXNOMHUXSWJWMI-GFCCVEGCSA-N 0 1 275.396 2.720 20 30 CFEDMN Cc1cccc2nc(CCC(=O)NCC(C)(C)CC#N)[nH]c21 ZINC000457996594 331240051 /nfs/dbraw/zinc/24/00/51/331240051.db2.gz SQXRSFAAUJDNBC-UHFFFAOYSA-N 0 1 298.390 2.860 20 30 CFEDMN C=CCC(C)(C)CNC(=O)N1CCN(CC(C)C)CC1 ZINC000458811559 331260919 /nfs/dbraw/zinc/26/09/19/331260919.db2.gz OXYZECNAMDVAJO-UHFFFAOYSA-N 0 1 281.444 2.572 20 30 CFEDMN C=C(CC)CNC(=O)N[C@@H](C)c1n[nH]c([C@H](C)CC)n1 ZINC000459082218 331269639 /nfs/dbraw/zinc/26/96/39/331269639.db2.gz FXLKGZIFQNEQMB-MNOVXSKESA-N 0 1 279.388 2.645 20 30 CFEDMN N#C[C@H]1CCC[C@H]1NCCc1ccc(F)c(F)c1 ZINC000459458624 331282458 /nfs/dbraw/zinc/28/24/58/331282458.db2.gz FOJGOSSFIODFAJ-BXUZGUMPSA-N 0 1 250.292 2.789 20 30 CFEDMN N#C[C@H]1CCC[C@@H]1NCCC(=O)Nc1cccc(Cl)c1 ZINC000459473956 331283626 /nfs/dbraw/zinc/28/36/26/331283626.db2.gz YEMSWYAJRDISQP-RISCZKNCSA-N 0 1 291.782 2.950 20 30 CFEDMN C=CCCC[C@H](C)N1CCN(C(=O)NC(C)(C)C)CC1 ZINC000481155210 331799362 /nfs/dbraw/zinc/79/93/62/331799362.db2.gz NSRWKRQZIQCGLK-AWEZNQCLSA-N 0 1 281.444 2.857 20 30 CFEDMN C=C[C@@H]1CCCCN1CC(=O)N[C@H](C)c1ccccc1 ZINC000489502595 332056870 /nfs/dbraw/zinc/05/68/70/332056870.db2.gz YYAMWTLYIIMZPZ-GDBMZVCRSA-N 0 1 272.392 2.904 20 30 CFEDMN C#CCN1CCC(C(=O)N(CC(C)C)C2CCCC2)CC1 ZINC000490594874 332094286 /nfs/dbraw/zinc/09/42/86/332094286.db2.gz WKSMJMKCQVOUIE-UHFFFAOYSA-N 0 1 290.451 2.759 20 30 CFEDMN C#CCN(C(=O)c1cc(C)cc2c[nH]nc21)C1CCCC1 ZINC000490803084 332116834 /nfs/dbraw/zinc/11/68/34/332116834.db2.gz JPFCQCWWTXEAQI-UHFFFAOYSA-N 0 1 281.359 2.889 20 30 CFEDMN C#C[C@@H](C)N(C)CCc1nc(-c2ccc(Cl)cc2)no1 ZINC000491253165 332174838 /nfs/dbraw/zinc/17/48/38/332174838.db2.gz MBLWVVZGKLQMDE-LLVKDONJSA-N 0 1 289.766 2.886 20 30 CFEDMN C#CCNC(=O)[C@H](C)N1CC2(CCCC2)[C@H]1c1ccccc1 ZINC000491266829 332177505 /nfs/dbraw/zinc/17/75/05/332177505.db2.gz QUGIJDPPNHTNHU-DOTOQJQBSA-N 0 1 296.414 2.742 20 30 CFEDMN C#C[C@H](NC(=O)c1[nH]nc(C)c1C)c1ccc(Cl)cc1 ZINC000491274891 332178516 /nfs/dbraw/zinc/17/85/16/332178516.db2.gz AXMGXXPBBCNROW-ZDUSSCGKSA-N 0 1 287.750 2.784 20 30 CFEDMN C#CCN(CCC1(O)CCC1)Cc1ccc(F)cc1 ZINC000491297842 332184738 /nfs/dbraw/zinc/18/47/38/332184738.db2.gz SCRJTTRJDJOOAA-UHFFFAOYSA-N 0 1 261.340 2.566 20 30 CFEDMN C#C[C@@H](C)N(C)Cc1cc(Cl)c(OC)c(OC)c1 ZINC000491515410 332227179 /nfs/dbraw/zinc/22/71/79/332227179.db2.gz NPCQJWFORMKRHC-SNVBAGLBSA-N 0 1 267.756 2.811 20 30 CFEDMN C#C[C@H](CC)NCc1nc2ccc(Cl)cc2n1C ZINC000491646986 332264003 /nfs/dbraw/zinc/26/40/03/332264003.db2.gz VNZOYDTWJJEHCL-LLVKDONJSA-N 0 1 261.756 2.728 20 30 CFEDMN C#C[C@@H](CC)NCc1cn(-c2cccc(F)c2)nc1C ZINC000491724133 332308502 /nfs/dbraw/zinc/30/85/02/332308502.db2.gz DGWFYLBXIILCEO-HNNXBMFYSA-N 0 1 271.339 2.821 20 30 CFEDMN C#C[C@H](CC)NCc1cnc(-c2ccccc2)nc1 ZINC000491770087 332336955 /nfs/dbraw/zinc/33/69/55/332336955.db2.gz OREZAJFJRKIIED-OAHLLOKOSA-N 0 1 251.333 2.645 20 30 CFEDMN C[C@H]1CN(CCCCC#N)CCN1C(=O)OC(C)(C)C ZINC000492200795 332386844 /nfs/dbraw/zinc/38/68/44/332386844.db2.gz KLORNIKLDLYKCS-ZDUSSCGKSA-N 0 1 281.400 2.621 20 30 CFEDMN Cc1ccsc1[C@H](CO)NCC#Cc1ccc(F)cc1 ZINC000494631816 332480701 /nfs/dbraw/zinc/48/07/01/332480701.db2.gz CJADALHGTPZXQU-HNNXBMFYSA-N 0 1 289.375 2.870 20 30 CFEDMN C[C@@H](NCC#Cc1ccc(Cl)cc1)c1cn[nH]c1 ZINC000494683915 332482744 /nfs/dbraw/zinc/48/27/44/332482744.db2.gz XALXARKVXAKJIR-LLVKDONJSA-N 0 1 259.740 2.765 20 30 CFEDMN CC(C)(C)OC(=O)N[C@@H]1CCCC[C@H]1NCC1(C#N)CC1 ZINC000496223798 332542931 /nfs/dbraw/zinc/54/29/31/332542931.db2.gz FJDJFIAJAANMPP-CHWSQXEVSA-N 0 1 293.411 2.716 20 30 CFEDMN C=CCN1CCC(N(CCOC)C(=O)OC(C)(C)C)CC1 ZINC000496831551 332561690 /nfs/dbraw/zinc/56/16/90/332561690.db2.gz WYODZMSSKDLUBJ-UHFFFAOYSA-N 0 1 298.427 2.520 20 30 CFEDMN C=C(C)CN(CC)CC(=O)N[C@@H](C)Cc1ccccc1C ZINC000513744136 333037165 /nfs/dbraw/zinc/03/71/65/333037165.db2.gz HNMGCUDGOUISMY-INIZCTEOSA-N 0 1 288.435 2.940 20 30 CFEDMN CCCN(CCC)C(=O)CN1CCC(CCC#N)CC1 ZINC000517134559 333093420 /nfs/dbraw/zinc/09/34/20/333093420.db2.gz PRFNCSWFIJUMAV-UHFFFAOYSA-N 0 1 279.428 2.651 20 30 CFEDMN C=C(C)CN(CC)[C@H]1CCN(c2c(F)cccc2F)C1=O ZINC000152550451 333124282 /nfs/dbraw/zinc/12/42/82/333124282.db2.gz HVPVFRSNTDZGAB-AWEZNQCLSA-N 0 1 294.345 2.968 20 30 CFEDMN C=CCCCCN1CCN(CC(F)(F)F)CC1 ZINC000521970610 333228770 /nfs/dbraw/zinc/22/87/70/333228770.db2.gz LZFDMPOTUSGVHC-UHFFFAOYSA-N 0 1 250.308 2.523 20 30 CFEDMN CC(C)(C)OC(=O)[C@H]1CCN(CC#Cc2ccccc2)C1 ZINC000192059944 333228917 /nfs/dbraw/zinc/22/89/17/333228917.db2.gz QSRZOBZJCCTIQX-INIZCTEOSA-N 0 1 285.387 2.702 20 30 CFEDMN N#CCC1CCN(Cc2cnn(-c3ccccc3)c2)CC1 ZINC000541919465 333800834 /nfs/dbraw/zinc/80/08/34/333800834.db2.gz LDIJLRAIGKDSCT-UHFFFAOYSA-N 0 1 280.375 2.998 20 30 CFEDMN COc1ccccc1[C@@H](CO)NCc1ccc(CC#N)cc1 ZINC000544122646 333917539 /nfs/dbraw/zinc/91/75/39/333917539.db2.gz ZUWLBKZKNUZAAU-QGZVFWFLSA-N 0 1 296.370 2.584 20 30 CFEDMN C=CCCS(=O)(=O)Nc1cc(C)cc2cccnc21 ZINC000132774963 334005396 /nfs/dbraw/zinc/00/53/96/334005396.db2.gz YARPXFFSXPKYGB-UHFFFAOYSA-N 0 1 276.361 2.861 20 30 CFEDMN CCN(CCC#N)C(=O)CN[C@H](C)c1ccc(Cl)cc1 ZINC000076572476 334084791 /nfs/dbraw/zinc/08/47/91/334084791.db2.gz RSZQCCKXICBEBQ-GFCCVEGCSA-N 0 1 293.798 2.753 20 30 CFEDMN CC#CCN1CCC(Oc2ccc(OC)cc2)CC1 ZINC000548485142 334159697 /nfs/dbraw/zinc/15/96/97/334159697.db2.gz DKVYIROUQUAMGY-UHFFFAOYSA-N 0 1 259.349 2.562 20 30 CFEDMN Cc1ccc(CNCC2(C#N)CC2)c(-c2cnn(C)c2)c1 ZINC000549410893 334193017 /nfs/dbraw/zinc/19/30/17/334193017.db2.gz NOTVVWINJWWYMY-UHFFFAOYSA-N 0 1 280.375 2.789 20 30 CFEDMN C[C@](O)(C1CCN([C@@H]2CC[C@H](C#N)C2)CC1)C(F)(F)F ZINC000549939060 334210186 /nfs/dbraw/zinc/21/01/86/334210186.db2.gz UBEMBYAMSNYXHX-UHTWSYAYSA-N 0 1 290.329 2.704 20 30 CFEDMN N#CC(C(=O)c1ncoc1C1CC1)c1nc2ccccc2[nH]1 ZINC000551925987 334266405 /nfs/dbraw/zinc/26/64/05/334266405.db2.gz JLXBGGOVVYMOTG-SNVBAGLBSA-N 0 1 292.298 2.918 20 30 CFEDMN N#C[C@H](C(=O)c1ncoc1C1CC1)c1nc2ccccc2[nH]1 ZINC000551925987 334266407 /nfs/dbraw/zinc/26/64/07/334266407.db2.gz JLXBGGOVVYMOTG-SNVBAGLBSA-N 0 1 292.298 2.918 20 30 CFEDMN C=CC[C@H](Cc1ccccc1)NC(=O)[C@H](C)N1CC(C)C1 ZINC000567290113 334701344 /nfs/dbraw/zinc/70/13/44/334701344.db2.gz WJHHOQGMNLDKKL-DOTOQJQBSA-N 0 1 286.419 2.630 20 30 CFEDMN C=CC(C)(C)C(=O)N1CCC(c2cn[nH]c2C)CC1 ZINC000580695932 335356946 /nfs/dbraw/zinc/35/69/46/335356946.db2.gz DNVDMSMZMUXUMJ-UHFFFAOYSA-N 0 1 261.369 2.636 20 30 CFEDMN CC(C)[C@@H](NCCCCC#N)c1nc(C2CC2)no1 ZINC000179818379 335522080 /nfs/dbraw/zinc/52/20/80/335522080.db2.gz GOCRXQNZMORTDQ-GFCCVEGCSA-N 0 1 262.357 2.928 20 30 CFEDMN CCC(=O)c1ccc(O)c(NC(=O)C2(C#N)CC(C)C2)c1 ZINC000578383591 335624102 /nfs/dbraw/zinc/62/41/02/335624102.db2.gz SHCKGXVVLPEZKA-UHFFFAOYSA-N 0 1 286.331 2.863 20 30 CFEDMN C=CCCCCCNC(=O)N[C@H](C)Cc1cc(C)[nH]n1 ZINC000581437940 336078053 /nfs/dbraw/zinc/07/80/53/336078053.db2.gz BPIOZZJOBZDQNG-GFCCVEGCSA-N 0 1 278.400 2.695 20 30 CFEDMN C=CCN(CCc1ccccc1)C(=O)[C@@H](C)Cc1cnc[nH]1 ZINC000581893700 336161912 /nfs/dbraw/zinc/16/19/12/336161912.db2.gz YMXCHXZPQRWUBI-HNNXBMFYSA-N 0 1 297.402 2.846 20 30 CFEDMN C=C(C)CN1CC[C@@H]1CN(C)C(=O)[C@H]1CCC(F)(F)C1 ZINC001085633623 782123246 /nfs/dbraw/zinc/12/32/46/782123246.db2.gz WRJSNQURSNIKKQ-QWHCGFSZSA-N 0 1 286.366 2.531 20 30 CFEDMN C=C(C)CN1CC[C@@H]1CN(C)C(=O)c1ccc(F)c(F)c1 ZINC001085641855 782123318 /nfs/dbraw/zinc/12/33/18/782123318.db2.gz YMOKDPCVSVKGMF-CYBMUJFWSA-N 0 1 294.345 2.687 20 30 CFEDMN CC(C)[C@@H]1CN(Cc2cc(C#N)cs2)CCCO1 ZINC000336164863 519804391 /nfs/dbraw/zinc/80/43/91/519804391.db2.gz URGKSZCMNDYCHM-AWEZNQCLSA-N 0 1 264.394 2.867 20 30 CFEDMN C=C(C)CN1CC[C@H]1CN(C)C(=O)[C@@H]1CC[C@@H]2C[C@@H]2CC1 ZINC001085738029 782148056 /nfs/dbraw/zinc/14/80/56/782148056.db2.gz DNMAOPFJEDOKLI-NXOAAHMSSA-N 0 1 290.451 2.922 20 30 CFEDMN C=C(C)C[N@@H+]1CC[C@@H]1CN(C)C(=O)c1cc(F)ccc1C ZINC001085746417 782149098 /nfs/dbraw/zinc/14/90/98/782149098.db2.gz GWYUMHTVMBEHGU-OAHLLOKOSA-N 0 1 290.382 2.857 20 30 CFEDMN C=C(C)CN1CC[C@@H]1CN(C)C(=O)c1cc(F)ccc1C ZINC001085746417 782149104 /nfs/dbraw/zinc/14/91/04/782149104.db2.gz GWYUMHTVMBEHGU-OAHLLOKOSA-N 0 1 290.382 2.857 20 30 CFEDMN Cc1ccc([C@H]2[C@H](C)CCCN2CC(=O)NCCC#N)cc1 ZINC000738339521 782151685 /nfs/dbraw/zinc/15/16/85/782151685.db2.gz IXSFHGYNJGRMNM-CRAIPNDOSA-N 0 1 299.418 2.798 20 30 CFEDMN C=C(C)CN1CC[C@H]1CN(C)C(=O)C1CC2(CCC2)C1 ZINC001085767502 782156057 /nfs/dbraw/zinc/15/60/57/782156057.db2.gz KGIHEEPJTMDTQY-HNNXBMFYSA-N 0 1 276.424 2.676 20 30 CFEDMN COC(=O)c1ccc(CN(C)Cc2ccc(C#N)cc2)cc1 ZINC000026207644 534098902 /nfs/dbraw/zinc/09/89/02/534098902.db2.gz POWRZBFLAAJCSE-UHFFFAOYSA-N 0 1 294.354 2.977 20 30 CFEDMN C=CCC[N@@H+]1CC[C@H]1CN(C)C(=O)c1ccn(CC)c1C ZINC001085781270 782160305 /nfs/dbraw/zinc/16/03/05/782160305.db2.gz QQFYAJKUZANJFK-HNNXBMFYSA-N 0 1 289.423 2.539 20 30 CFEDMN Cc1ccc(-c2[nH][nH]c(=NC(=O)C3(C#N)CCCC3)c2C)o1 ZINC000334904876 534161085 /nfs/dbraw/zinc/16/10/85/534161085.db2.gz HHQNKAFDOIOKRL-UHFFFAOYSA-N 0 1 298.346 2.731 20 30 CFEDMN Cc1ccc2c(c1)CC[C@H](C(=O)NCc1cnc[nH]1)O2 ZINC000330021643 534415134 /nfs/dbraw/zinc/41/51/34/534415134.db2.gz YDZVRVVDXWRNPW-CQSZACIVSA-N 0 1 271.320 2.568 20 30 CFEDMN CC(C)CO[C@@H]1CCN(Cc2ccc(C#N)c(F)c2)C1 ZINC000192070934 519760214 /nfs/dbraw/zinc/76/02/14/519760214.db2.gz KOUHTFWWJSYNGS-OAHLLOKOSA-N 0 1 276.355 2.944 20 30 CFEDMN CC(C)n1cc(C#N)c(=NC(=O)[C@@H](C)CC(C)(C)C)[nH]1 ZINC000361862594 519931473 /nfs/dbraw/zinc/93/14/73/519931473.db2.gz PBZUYGVQOBTMCU-NSHDSACASA-N 0 1 276.384 2.768 20 30 CFEDMN CCOC[C@@H]1CCCN(Cc2cccc(C#N)c2F)C1 ZINC000340888388 520118351 /nfs/dbraw/zinc/11/83/51/520118351.db2.gz FCISVLBZNFPYMH-CYBMUJFWSA-N 0 1 276.355 2.946 20 30 CFEDMN CC1(C)COC[C@@H]1NCc1ccc(C#N)cc1Cl ZINC000313016385 520509094 /nfs/dbraw/zinc/50/90/94/520509094.db2.gz BALAAVFBDNRYLR-ZDUSSCGKSA-N 0 1 264.756 2.726 20 30 CFEDMN CC1(C)C[C@@H](O)CCN(Cc2cccc(C#N)c2F)C1 ZINC000336235520 520528161 /nfs/dbraw/zinc/52/81/61/520528161.db2.gz ABWLRVGDJDSQRX-AWEZNQCLSA-N 0 1 276.355 2.680 20 30 CFEDMN CCCC[C@@H](CC)C(=O)N=c1[nH]n(C(C)C)cc1C#N ZINC000361920143 521017247 /nfs/dbraw/zinc/01/72/47/521017247.db2.gz TVRLIYKTEDHLIU-GFCCVEGCSA-N 0 1 276.384 2.912 20 30 CFEDMN N#CC1(CN2C[C@@H](CO)[C@@H](c3ccc(Cl)cc3)C2)CC1 ZINC000352756480 534550338 /nfs/dbraw/zinc/55/03/38/534550338.db2.gz CZANHKINMNXLBG-DZGCQCFKSA-N 0 1 290.794 2.651 20 30 CFEDMN COc1cc(CNCc2ccccc2OC)ccc1C#N ZINC000234885455 522467412 /nfs/dbraw/zinc/46/74/12/522467412.db2.gz YFLCRKHDKOEPBZ-UHFFFAOYSA-N 0 1 282.343 2.865 20 30 CFEDMN COc1ccc(C#N)cc1CN1CCCO[C@@H]2CCC[C@@H]21 ZINC000361750193 523524705 /nfs/dbraw/zinc/52/47/05/523524705.db2.gz HMAISVZKCVPJOB-DOTOQJQBSA-N 0 1 286.375 2.710 20 30 CFEDMN CC[C@]1(C)COCCN1CCCOc1cccc(C#N)c1 ZINC000340862987 523580892 /nfs/dbraw/zinc/58/08/92/523580892.db2.gz AILBEVKDTQNYDJ-QGZVFWFLSA-N 0 1 288.391 2.828 20 30 CFEDMN CO[C@@H]1CCN(Cc2cn3ccccc3c2C#N)C[C@@H]1C ZINC000336276077 523686726 /nfs/dbraw/zinc/68/67/26/523686726.db2.gz GWESALMFZHREGO-SUMWQHHRSA-N 0 1 283.375 2.668 20 30 CFEDMN CO[C@H]1CCN(Cc2cccc(C#N)c2F)C[C@H]1C ZINC000336257745 523997413 /nfs/dbraw/zinc/99/74/13/523997413.db2.gz STPVWQJXNHUTIA-RISCZKNCSA-N 0 1 262.328 2.554 20 30 CFEDMN Cc1cccc(C)c1NC(=O)CNCc1ccc(C#N)cc1 ZINC000070740908 524279874 /nfs/dbraw/zinc/27/98/74/524279874.db2.gz ZMMQLAPZTAMIMY-UHFFFAOYSA-N 0 1 293.370 2.903 20 30 CFEDMN C[C@H](Cn1cccn1)NCc1ccc(C#N)cc1Cl ZINC000162645837 524778499 /nfs/dbraw/zinc/77/84/99/524778499.db2.gz BTDOSHCSYWHWOC-LLVKDONJSA-N 0 1 274.755 2.586 20 30 CFEDMN Cc1cc(C[C@H](C)NC(=O)Nc2cc(C#N)ccc2C)n[nH]1 ZINC000158789687 524833311 /nfs/dbraw/zinc/83/33/11/524833311.db2.gz DZRNKUOXLWXNIY-NSHDSACASA-N 0 1 297.362 2.651 20 30 CFEDMN CSCCCN(C)Cc1cccc(C#N)c1F ZINC000302332987 525444317 /nfs/dbraw/zinc/44/43/17/525444317.db2.gz DIDDYXPPYQXFEX-UHFFFAOYSA-N 0 1 252.358 2.882 20 30 CFEDMN C[C@@H](N[C@@H](C)C(=O)Nc1ccccc1C#N)c1cccnc1 ZINC000194722463 525591358 /nfs/dbraw/zinc/59/13/58/525591358.db2.gz WJWSHFYLLSIWAT-OLZOCXBDSA-N 0 1 294.358 2.631 20 30 CFEDMN C[C@H](O)C[C@@H]1CCCCN1Cc1cccc(C#N)c1F ZINC000222571781 525793649 /nfs/dbraw/zinc/79/36/49/525793649.db2.gz LSCPCDHYSZRJDV-WFASDCNBSA-N 0 1 276.355 2.823 20 30 CFEDMN Cc1cc(C#N)cc(NC(=O)N2CCN3CCCC[C@H]3C2)c1 ZINC000335001491 526181939 /nfs/dbraw/zinc/18/19/39/526181939.db2.gz DNEZBDWTTPMKDJ-INIZCTEOSA-N 0 1 298.390 2.569 20 30 CFEDMN C=C(C)CN(C)Cc1ccc([N+](=O)[O-])c(OC)c1 ZINC000352768257 526502609 /nfs/dbraw/zinc/50/26/09/526502609.db2.gz HCXJXEXUPJHNBL-UHFFFAOYSA-N 0 1 250.298 2.611 20 30 CFEDMN C=C(C)CN(CC)C(=O)CN[C@H](c1cccnc1)C1CC1 ZINC000347336729 526526646 /nfs/dbraw/zinc/52/66/46/526526646.db2.gz GBHOWGCRZYINRW-KRWDZBQOSA-N 0 1 287.407 2.547 20 30 CFEDMN N#Cc1ccc(C[N@@H+]2CCCC[C@@H]2CCC(=O)[O-])c(F)c1 ZINC000050924560 526611509 /nfs/dbraw/zinc/61/15/09/526611509.db2.gz JITQMJKCPCWWID-CQSZACIVSA-N 0 1 290.338 2.917 20 30 CFEDMN N#Cc1ccc(C[N@H+]2[C@H](C(=O)[O-])C[C@@H]3CCCC[C@@H]32)s1 ZINC000263491147 526618873 /nfs/dbraw/zinc/61/88/73/526618873.db2.gz INDZKJKHAZNPNB-BPNCWPANSA-N 0 1 290.388 2.837 20 30 CFEDMN N#Cc1ccc(F)c(CN2CCC[C@]3(CCOC3)C2)c1 ZINC000336294410 526637723 /nfs/dbraw/zinc/63/77/23/526637723.db2.gz DJNMRODELRWZQX-INIZCTEOSA-N 0 1 274.339 2.700 20 30 CFEDMN C=C(C)C[C@@H](C)C(=O)N[C@H](c1nnc[nH]1)c1ccccc1 ZINC000344468409 526702270 /nfs/dbraw/zinc/70/22/70/526702270.db2.gz BLCHIVFKDNKXHM-OCCSQVGLSA-N 0 1 284.363 2.613 20 30 CFEDMN N#Cc1ccccc1CN1CCC[C@@]2(CCOC2)C1 ZINC000336225048 526734771 /nfs/dbraw/zinc/73/47/71/526734771.db2.gz YVBPRPMGFCHAKT-MRXNPFEDSA-N 0 1 256.349 2.561 20 30 CFEDMN C=CCOCCCN1CCN(c2ccccc2F)CC1 ZINC000347963481 526757081 /nfs/dbraw/zinc/75/70/81/526757081.db2.gz JTIWUILNYGIVBK-UHFFFAOYSA-N 0 1 278.371 2.540 20 30 CFEDMN CC(C)(C)c1[nH]n(C[C@H]2CCCO2)c(=O)c1CCC#N ZINC000347884707 526887070 /nfs/dbraw/zinc/88/70/70/526887070.db2.gz GSLBJCGQBODRQS-LLVKDONJSA-N 0 1 277.368 2.521 20 30 CFEDMN C=CC1CCN(C(=O)c2cc(C)cc3c[nH]nc32)CC1 ZINC000336558201 526974654 /nfs/dbraw/zinc/97/46/54/526974654.db2.gz UGISADUAPALYDE-UHFFFAOYSA-N 0 1 269.348 2.910 20 30 CFEDMN C=CCC(CC=C)C(=O)N1[C@@H](C)CN(CC)C[C@@H]1C ZINC000344470115 527026834 /nfs/dbraw/zinc/02/68/34/527026834.db2.gz VKLOYAKRHXSNCV-KBPBESRZSA-N 0 1 264.413 2.696 20 30 CFEDMN C=CCC1(C(=O)N2CC[C@@H](c3nc[nH]n3)C2)CCCCC1 ZINC000333517478 527047992 /nfs/dbraw/zinc/04/79/92/527047992.db2.gz VKXQHGSDDJETPT-CYBMUJFWSA-N 0 1 288.395 2.647 20 30 CFEDMN C=CCCC[C@H](C)NC(=O)N1CCN([C@H](C)CC)CC1 ZINC000458621199 527286848 /nfs/dbraw/zinc/28/68/48/527286848.db2.gz OHRIFPDNYLUCJP-LSDHHAIUSA-N 0 1 281.444 2.857 20 30 CFEDMN C=CCN1C(=O)N=NC1SCCCCC1CCOCC1 ZINC000347792954 527332271 /nfs/dbraw/zinc/33/22/71/527332271.db2.gz KHIXGUNCNYNZNU-UHFFFAOYSA-N 0 1 297.424 2.859 20 30 CFEDMN CC(C)(NC(=O)[C@H]1CCc2[nH]nnc2C1)c1cccs1 ZINC000329170499 527445528 /nfs/dbraw/zinc/44/55/28/527445528.db2.gz KAQQQRVTSALXKO-VIFPVBQESA-N 0 1 290.392 2.863 20 30 CFEDMN CC(C)(NC(=O)[C@H]1CCc2nn[nH]c2C1)c1cccs1 ZINC000329170499 527445533 /nfs/dbraw/zinc/44/55/33/527445533.db2.gz KAQQQRVTSALXKO-VIFPVBQESA-N 0 1 290.392 2.863 20 30 CFEDMN C=C[C@@H]1CCCCN1Cc1ccc2c(c1)oc(=O)n2C ZINC000335974561 527456707 /nfs/dbraw/zinc/45/67/07/527456707.db2.gz VYPDJTZNNUJCAG-CYBMUJFWSA-N 0 1 272.348 2.672 20 30 CFEDMN C=C[C@H](CO)N[C@H](CC)c1cc(Cl)ccc1OC ZINC000353572064 527595367 /nfs/dbraw/zinc/59/53/67/527595367.db2.gz WTEWWIRTJDFRLH-DGCLKSJQSA-N 0 1 269.772 2.936 20 30 CFEDMN C=C[C@H]1CCCCN1C(=O)c1c[nH]c2ccccc2c1=O ZINC000336121729 527603166 /nfs/dbraw/zinc/60/31/66/527603166.db2.gz XPCLGGQIHJJBLF-LBPRGKRZSA-N 0 1 282.343 2.709 20 30 CFEDMN CC(C)c1nc([C@H](C)NC(=O)[C@@H]2CCC(=O)[C@H](C)C2)n[nH]1 ZINC000329013367 528311628 /nfs/dbraw/zinc/31/16/28/528311628.db2.gz IZOUJOSWYYVINL-OUAUKWLOSA-N 0 1 292.383 2.951 20 30 CFEDMN CC(C)C[C@@H](N)c1noc(Cc2c(F)cccc2C#N)n1 ZINC000414614110 528349917 /nfs/dbraw/zinc/34/99/17/528349917.db2.gz GNNZQXKNFQSPAO-CYBMUJFWSA-N 0 1 288.326 2.717 20 30 CFEDMN CCN(Cc1cc(C#N)n(C)c1)Cc1occc1C ZINC000414533291 528764092 /nfs/dbraw/zinc/76/40/92/528764092.db2.gz BFRSJIZFVYYAFU-UHFFFAOYSA-N 0 1 257.337 2.820 20 30 CFEDMN CC1(C)CCCN(C([O-])=[NH+][C@H]2CCn3ccnc3C2)CC1 ZINC000330254426 528923702 /nfs/dbraw/zinc/92/37/02/528923702.db2.gz AVSQUQJYDNTCAY-ZDUSSCGKSA-N 0 1 290.411 2.624 20 30 CFEDMN CC(C)[C@H](C(=O)Nc1nncn1C1CC1)N1CCCCC1 ZINC000329109227 528931632 /nfs/dbraw/zinc/93/16/32/528931632.db2.gz IVRVTHQNJYIQOM-CYBMUJFWSA-N 0 1 291.399 2.712 20 30 CFEDMN CC[C@](C)(C#N)C(=O)NCCN1CC=C(C(C)(C)C)CC1 ZINC000354895452 529349105 /nfs/dbraw/zinc/34/91/05/529349105.db2.gz ZIIFULJBZVHLSP-QGZVFWFLSA-N 0 1 291.439 2.721 20 30 CFEDMN C=C(C)CN1CC[C@@H]1CN(C)C(=O)c1cccc2cc[nH]c21 ZINC001085830297 782178375 /nfs/dbraw/zinc/17/83/75/782178375.db2.gz VQRJARQQRRHZNI-OAHLLOKOSA-N 0 1 297.402 2.890 20 30 CFEDMN C=C[C@H](CC)CC(=O)N1C[C@H](C)N(CC)C[C@H]1C ZINC000935166672 649882095 /nfs/dbraw/zinc/88/20/95/649882095.db2.gz RIUQSGVDCRPISB-BFHYXJOUSA-N 0 1 252.402 2.530 20 30 CFEDMN C=C[C@H](CC)CC(=O)N1CCN(CCOC)[C@@H](CCC)C1 ZINC000935172572 649882457 /nfs/dbraw/zinc/88/24/57/649882457.db2.gz VIVQDWCTPSBXKL-CVEARBPZSA-N 0 1 296.455 2.548 20 30 CFEDMN N#CCCCNC(=O)c1cccc2nc(C(F)F)[nH]c21 ZINC000935339809 649899122 /nfs/dbraw/zinc/89/91/22/649899122.db2.gz XAMOVWJUSMWWTB-UHFFFAOYSA-N 0 1 278.262 2.534 20 30 CFEDMN C#CCNC(=O)CN1CCCCC[C@H]1/C=C\c1ccccc1 ZINC000753862258 574052416 /nfs/dbraw/zinc/05/24/16/574052416.db2.gz OCKHFPVRBNRZIY-SQVRQVGWSA-N 0 1 296.414 2.694 20 30 CFEDMN Fc1ccc2[nH]cc(C=NNC3=N[C@@H]4CCCC[C@@H]4N3)c2c1 ZINC000753931394 574055411 /nfs/dbraw/zinc/05/54/11/574055411.db2.gz YWLNLUQTTJTQJD-GASCZTMLSA-N 0 1 299.353 2.501 20 30 CFEDMN Clc1ccc(C=NNC2=N[C@@H]3CCCC[C@@H]3N2)cc1 ZINC000753935661 574055990 /nfs/dbraw/zinc/05/59/90/574055990.db2.gz OZCJXGFXLNKLOI-BETUJISGSA-N 0 1 276.771 2.534 20 30 CFEDMN Clc1ccc(C=NNC2=N[C@@H]3CCCC[C@H]3N2)s1 ZINC000753934634 574056169 /nfs/dbraw/zinc/05/61/69/574056169.db2.gz IWYQVOJPZNPUEY-NXEZZACHSA-N 0 1 282.800 2.595 20 30 CFEDMN C(=CN=NC1=N[C@@H]2CCCC[C@H]2N1)Cc1ccccc1 ZINC000753937391 574056589 /nfs/dbraw/zinc/05/65/89/574056589.db2.gz XENNPAWABFFNET-XLNSHZPZSA-N 0 1 268.364 2.546 20 30 CFEDMN CC(=NNC1=N[C@H]2CCCC[C@@H]2N1)c1cc(C)ccc1C ZINC000753937417 574056704 /nfs/dbraw/zinc/05/67/04/574056704.db2.gz XGASNHGQSNUYKD-HOTGVXAUSA-N 0 1 284.407 2.887 20 30 CFEDMN C[C@@H]1C[C@@H]1c1ccc(C=NNC2=N[C@@H]3CCCC[C@H]3N2)o1 ZINC000753936785 574056734 /nfs/dbraw/zinc/05/67/34/574056734.db2.gz WBLRQRLDJWNYMN-YXCITZCRSA-N 0 1 286.379 2.597 20 30 CFEDMN C(=CN=NC1=N[C@H]2CCCC[C@H]2N1)Cc1ccccc1 ZINC000753937387 574056754 /nfs/dbraw/zinc/05/67/54/574056754.db2.gz XENNPAWABFFNET-NVACJSMNSA-N 0 1 268.364 2.546 20 30 CFEDMN C[C@@H]1CC(N=Nc2cccc([N+](=O)[O-])c2)CN1C1CC1 ZINC000753955638 574058703 /nfs/dbraw/zinc/05/87/03/574058703.db2.gz RRMWTSVKOWQBHT-SNVBAGLBSA-N 0 1 274.324 2.619 20 30 CFEDMN c1ccc(CN2CCC(=NNC3CCCC3)CC2)nc1 ZINC000727651596 574058841 /nfs/dbraw/zinc/05/88/41/574058841.db2.gz HSVFRDPVKRQBCZ-UHFFFAOYSA-N 0 1 272.396 2.566 20 30 CFEDMN O=C(OCCC#Cc1ccccc1)c1ccc([N+](=O)[O-])[nH]1 ZINC000744187098 574059619 /nfs/dbraw/zinc/05/96/19/574059619.db2.gz KHOQITSIVHFOLC-UHFFFAOYSA-N 0 1 284.271 2.522 20 30 CFEDMN C#Cc1ccc(C(=O)Nc2cccc(Cl)c2O)cn1 ZINC000736683629 574064999 /nfs/dbraw/zinc/06/49/99/574064999.db2.gz WIBPEIIJNQCQSF-UHFFFAOYSA-N 0 1 272.691 2.674 20 30 CFEDMN CCCN(CCC)Cc1nc2ccccc2c(=O)n1CC#N ZINC000754243742 574083880 /nfs/dbraw/zinc/08/38/80/574083880.db2.gz FTDLKLBNLQIRKH-UHFFFAOYSA-N 0 1 298.390 2.542 20 30 CFEDMN CC[C@@H]1CCC[N@H+]([C@@H](C(=O)[O-])c2ccc(C#N)cc2)C1 ZINC000736938862 574086303 /nfs/dbraw/zinc/08/63/03/574086303.db2.gz LOHQRTXAPFYVQG-IUODEOHRSA-N 0 1 272.348 2.806 20 30 CFEDMN C=CCCC[N@@H+]1CCC[C@H]([C@H]2CCCN2C(=O)[O-])C1 ZINC000738493094 574095147 /nfs/dbraw/zinc/09/51/47/574095147.db2.gz JZCGDBBTNMSZQE-UONOGXRCSA-N 0 1 266.385 2.807 20 30 CFEDMN C=CCCC[N@@H+]1CCC[C@@H]([C@@H]2CCCN2C(=O)[O-])C1 ZINC000738493090 574095328 /nfs/dbraw/zinc/09/53/28/574095328.db2.gz JZCGDBBTNMSZQE-KGLIPLIRSA-N 0 1 266.385 2.807 20 30 CFEDMN c1ccc2c(c1)OCCCC2=NNCCN1CCCCC1 ZINC000728429468 574095642 /nfs/dbraw/zinc/09/56/42/574095642.db2.gz GHVRNXXVJFEUOO-UHFFFAOYSA-N 0 1 287.407 2.639 20 30 CFEDMN COc1ccc(CCNN=C2CN(C(C)C)C[C@H]2C)cc1 ZINC000754256542 574097430 /nfs/dbraw/zinc/09/74/30/574097430.db2.gz BCGHMUSDFKWTDZ-CQSZACIVSA-N 0 1 289.423 2.543 20 30 CFEDMN Cc1cccc(C=NNCCN2CCCCC2)c1C ZINC000731150590 574110596 /nfs/dbraw/zinc/11/05/96/574110596.db2.gz BDGZMQVMLOFUJA-UHFFFAOYSA-N 0 1 259.397 2.713 20 30 CFEDMN Fc1cc(Br)ccc1NN=Cc1ncc[nH]1 ZINC000731153397 574111228 /nfs/dbraw/zinc/11/12/28/574111228.db2.gz KJQJJKGSTKSTHF-UHFFFAOYSA-N 0 1 283.104 2.757 20 30 CFEDMN COc1cccc(C=NNc2ccc(F)cn2)c1OC ZINC000731317864 574116301 /nfs/dbraw/zinc/11/63/01/574116301.db2.gz FKDCBBBEEJKHIZ-UHFFFAOYSA-N 0 1 275.283 2.684 20 30 CFEDMN COc1ccc(Cl)cc1C=NNc1cc(C)ncn1 ZINC000731934601 574135076 /nfs/dbraw/zinc/13/50/76/574135076.db2.gz DKXWLKKPLCMJJU-UHFFFAOYSA-N 0 1 276.727 2.893 20 30 CFEDMN C[N@@H+](Cc1ccc(C#N)cc1F)[C@@H](C(=O)[O-])c1ccccc1 ZINC000737451589 574142079 /nfs/dbraw/zinc/14/20/79/574142079.db2.gz QOHTWPSQTZDPNG-MRXNPFEDSA-N 0 1 298.317 2.955 20 30 CFEDMN CC/C(=C/C(=O)NC1(C#N)CCN(C)CC1)c1ccccc1 ZINC000728960945 574142380 /nfs/dbraw/zinc/14/23/80/574142380.db2.gz QUAFVMYMAYSZPL-SQFISAMPSA-N 0 1 297.402 2.584 20 30 CFEDMN CCCCCCCCNC(=O)[C@H]1CCCCN1C ZINC000755215437 574147511 /nfs/dbraw/zinc/14/75/11/574147511.db2.gz HSYWUFPHPAFSMR-CQSZACIVSA-N 0 1 254.418 2.947 20 30 CFEDMN C#CCN(CC)Cc1cc(Cl)c2c(c1)OCCO2 ZINC000746456900 574149378 /nfs/dbraw/zinc/14/93/78/574149378.db2.gz RDWJNLFUDYHSDJ-UHFFFAOYSA-N 0 1 265.740 2.566 20 30 CFEDMN C#Cc1cccc(NC(=O)c2c(C)n[nH]c2C(F)(F)F)c1 ZINC000746582714 574156253 /nfs/dbraw/zinc/15/62/53/574156253.db2.gz PMIPLTYASOLOJV-UHFFFAOYSA-N 0 1 293.248 2.971 20 30 CFEDMN Cc1cc(=O)nc(NN=C[C@H]2C[C@H]2c2ccccc2)[nH]1 ZINC000755463419 574163484 /nfs/dbraw/zinc/16/34/84/574163484.db2.gz IOSHDFNBSVPOAW-OLZOCXBDSA-N 0 1 268.320 2.692 20 30 CFEDMN Cc1ccc2ncc(C=NNc3nc4ccccc4[nH]3)n2c1 ZINC000755488820 574165319 /nfs/dbraw/zinc/16/53/19/574165319.db2.gz BGXONGCKMVIJMX-UHFFFAOYSA-N 0 1 290.330 2.965 20 30 CFEDMN CCc1cc(CNCc2cccc(OCCCC#N)c2)[nH]n1 ZINC000738429962 574168529 /nfs/dbraw/zinc/16/85/29/574168529.db2.gz BMMKUNCVMWYEGJ-UHFFFAOYSA-N 0 1 298.390 2.944 20 30 CFEDMN CC(C)NC(=O)C(C#N)C(=O)[C@H](C)CCC(C)(C)C ZINC000755604918 574171595 /nfs/dbraw/zinc/17/15/95/574171595.db2.gz VPYBCGNMLZAOKS-VXGBXAGGSA-N 0 1 266.385 2.682 20 30 CFEDMN N#Cc1cccc(NN=Cc2cccc(F)c2O)c1 ZINC000755626084 574172500 /nfs/dbraw/zinc/17/25/00/574172500.db2.gz XKFHTBJSQTWVLW-UHFFFAOYSA-N 0 1 255.252 2.849 20 30 CFEDMN Cc1nc[nH]c1C=NNCc1ccc(C(F)(F)F)cc1 ZINC000755655668 574175839 /nfs/dbraw/zinc/17/58/39/574175839.db2.gz DRDVUHNQWNTPSN-UHFFFAOYSA-N 0 1 282.269 2.861 20 30 CFEDMN Cc1ccc(NN=Cc2coc(-c3ccccc3)n2)nn1 ZINC000755698280 574178567 /nfs/dbraw/zinc/17/85/67/574178567.db2.gz GRUACCTWDNDDFU-UHFFFAOYSA-N 0 1 279.303 2.886 20 30 CFEDMN C[C@@H]1CCC[C@@H](CC(=O)[C@H](C#N)C(=O)NC2CCCC2)C1 ZINC000747106824 574179983 /nfs/dbraw/zinc/17/99/83/574179983.db2.gz ZVEAGMBLPRHTSY-NFAWXSAZSA-N 0 1 290.407 2.970 20 30 CFEDMN Cc1cc(N=NCc2coc(-c3ccccc3)n2)ncn1 ZINC000755726676 574181397 /nfs/dbraw/zinc/18/13/97/574181397.db2.gz GJMYEJRDMJKGLD-UHFFFAOYSA-N 0 1 279.303 2.886 20 30 CFEDMN O=[N+]([O-])c1cc(C=NNc2nccnc2Cl)cs1 ZINC000733079654 574187439 /nfs/dbraw/zinc/18/74/39/574187439.db2.gz PBKPLDMHVDMHIO-UHFFFAOYSA-N 0 1 283.700 2.546 20 30 CFEDMN O=C(C#Cc1ccccc1)Nc1ccc2nc[nH]c2c1 ZINC000747370921 574192907 /nfs/dbraw/zinc/19/29/07/574192907.db2.gz RTVROYMVYKCLGS-UHFFFAOYSA-N 0 1 261.284 2.553 20 30 CFEDMN C[C@H](c1ccc(C#N)cc1)[N@H+]1CCC[C@H](CNC(=O)[O-])C1 ZINC000739054096 574194555 /nfs/dbraw/zinc/19/45/55/574194555.db2.gz OPVCTRMABGUJIZ-TZMCWYRMSA-N 0 1 287.363 2.599 20 30 CFEDMN Cc1ccnc(NN=C2CCN(Cc3ccccc3)C2=O)c1 ZINC000755905173 574196062 /nfs/dbraw/zinc/19/60/62/574196062.db2.gz GPLYQDJOJXINNM-UHFFFAOYSA-N 0 1 294.358 2.590 20 30 CFEDMN CCN1c2ccc(C)cc2C(=NNc2cc(C)ccn2)C1=O ZINC000755904349 574196185 /nfs/dbraw/zinc/19/61/85/574196185.db2.gz XFGSNFHRWAUMTK-UHFFFAOYSA-N 0 1 294.358 2.881 20 30 CFEDMN C=CCN(C/C=C\C(=O)OCC)Cc1ccccc1 ZINC000756091845 574208537 /nfs/dbraw/zinc/20/85/37/574208537.db2.gz IXFOVRIZVCLCEH-FLIBITNWSA-N 0 1 259.349 2.794 20 30 CFEDMN CCc1ccc(C(C)=NN=c2cc[nH]c(N(C)C)n2)cc1 ZINC000739410894 574212394 /nfs/dbraw/zinc/21/23/94/574212394.db2.gz FNPLSLMOPVCXFL-UHFFFAOYSA-N 0 1 283.379 2.941 20 30 CFEDMN Cc1cccc2c1CCC2=NN=c1cc[nH]c(N(C)C)n1 ZINC000739411550 574212452 /nfs/dbraw/zinc/21/24/52/574212452.db2.gz MQHVSZQBDIMPTL-UHFFFAOYSA-N 0 1 281.363 2.613 20 30 CFEDMN Cc1[nH]c2ccccc2c1C=NN=c1cc[nH]c(N(C)C)n1 ZINC000739418002 574212668 /nfs/dbraw/zinc/21/26/68/574212668.db2.gz IJQWBSUYSYDXTN-UHFFFAOYSA-N 0 1 294.362 2.778 20 30 CFEDMN Cc1ccc2c(C=NN=c3cc[nH]c(N(C)C)n3)c[nH]c2c1 ZINC000739418638 574212874 /nfs/dbraw/zinc/21/28/74/574212874.db2.gz YKJRZSUZGMWLLF-UHFFFAOYSA-N 0 1 294.362 2.778 20 30 CFEDMN CC(C)Oc1cccc(CN=Nc2ccnc(N(C)C)n2)c1 ZINC000739418357 574213038 /nfs/dbraw/zinc/21/30/38/574213038.db2.gz OEPQJHWYRQTCDC-UHFFFAOYSA-N 0 1 299.378 2.776 20 30 CFEDMN COc1cc(C)ccc1C(C)N=Nc1ccnc(N(C)C)n1 ZINC000739413428 574213048 /nfs/dbraw/zinc/21/30/48/574213048.db2.gz NMQVJDWEVBRLQC-UHFFFAOYSA-N 0 1 299.378 2.696 20 30 CFEDMN FC(F)(F)c1cccc(N=NC2CN3CCC2CC3)n1 ZINC000739421169 574213474 /nfs/dbraw/zinc/21/34/74/574213474.db2.gz FJZFOQQTYIHMIB-UHFFFAOYSA-N 0 1 284.285 2.594 20 30 CFEDMN N#Cc1ccc(O)c(NC(=O)CCc2ccccc2F)c1 ZINC000748005535 574224333 /nfs/dbraw/zinc/22/43/33/574224333.db2.gz SMQHJOCIBVZIKX-UHFFFAOYSA-N 0 1 284.290 2.974 20 30 CFEDMN CC(Cc1ccsc1)=NNCCN1CCCCC1 ZINC000729637700 574225116 /nfs/dbraw/zinc/22/51/16/574225116.db2.gz QVXFMZDUGOPNLW-UHFFFAOYSA-N 0 1 265.426 2.742 20 30 CFEDMN C#CCN1CCC[C@@H]1COC(=O)c1cc(C)sc1C ZINC000729808649 574232980 /nfs/dbraw/zinc/23/29/80/574232980.db2.gz DTELXVGISKKCIV-CYBMUJFWSA-N 0 1 277.389 2.619 20 30 CFEDMN C#CCN1CCC[C@H]1COC(=O)[C@H](CC)c1ccccc1 ZINC000729809603 574233175 /nfs/dbraw/zinc/23/31/75/574233175.db2.gz MRVDIPAHDSOCET-DLBZAZTESA-N 0 1 285.387 2.821 20 30 CFEDMN C#CCN1CCC[C@@H]1COC(=O)C[C@@H]1CCCC[C@@H]1C ZINC000729812149 574233390 /nfs/dbraw/zinc/23/33/90/574233390.db2.gz NFQLEJPNTHJPGK-HRCADAONSA-N 0 1 277.408 2.844 20 30 CFEDMN N#CCCCC[N@@H+]1CCCC[C@@H]1[C@@H]1CCCN1C(=O)[O-] ZINC000740307185 574246538 /nfs/dbraw/zinc/24/65/38/574246538.db2.gz QAENWRHLUHWWLT-KGLIPLIRSA-N 0 1 279.384 2.677 20 30 CFEDMN C#CCN1CCC[C@H]1COC(=O)c1cccc(C)c1C ZINC000756550225 574246661 /nfs/dbraw/zinc/24/66/61/574246661.db2.gz JKDUOBAAYKCBOD-HNNXBMFYSA-N 0 1 271.360 2.558 20 30 CFEDMN CCCCCCCCCC(=O)N1CCc2[nH]nnc2C1 ZINC000748364337 574249367 /nfs/dbraw/zinc/24/93/67/574249367.db2.gz VCSGMCCSZCPJIK-UHFFFAOYSA-N 0 1 278.400 2.830 20 30 CFEDMN CCc1ncc(C(=O)Nc2cc(C#N)ccc2O)s1 ZINC000748412204 574251383 /nfs/dbraw/zinc/25/13/83/574251383.db2.gz MFWABUUSGQMWLZ-UHFFFAOYSA-N 0 1 273.317 2.535 20 30 CFEDMN C=CC[C@H](CO)C[NH2+][C@H](C)c1cc(Cl)ccc1[O-] ZINC000756788914 574263383 /nfs/dbraw/zinc/26/33/83/574263383.db2.gz YQZCBIUFOWCYNJ-MNOVXSKESA-N 0 1 269.772 2.881 20 30 CFEDMN CC(=NNc1ccncc1Cl)c1nc2ccccc2n1C ZINC000756839804 574266598 /nfs/dbraw/zinc/26/65/98/574266598.db2.gz TZCGQKGNBWILTL-UHFFFAOYSA-N 0 1 299.765 2.880 20 30 CFEDMN C#CCOc1ccc(CN=Nc2ccncc2Cl)cc1 ZINC000756842367 574267205 /nfs/dbraw/zinc/26/72/05/574267205.db2.gz OMYHYCGHXWLDSN-UHFFFAOYSA-N 0 1 285.734 2.615 20 30 CFEDMN CN1Cc2ccccc2[C@@H](/N=C/c2ccccc2O)C1 ZINC000756841463 574267656 /nfs/dbraw/zinc/26/76/56/574267656.db2.gz VFNIPXMMBNMZOA-HKJBKDEOSA-N 0 1 266.344 2.998 20 30 CFEDMN COC(=O)c1ccc(N=NC(C)c2cccnc2)c(OC)c1 ZINC000756902300 574271856 /nfs/dbraw/zinc/27/18/56/574271856.db2.gz JEKLTXRLFGBIGW-UHFFFAOYSA-N 0 1 299.330 2.713 20 30 CFEDMN N#CCOc1ccc(Cl)cc1CN(CCCO)C1CC1 ZINC000740878742 574272401 /nfs/dbraw/zinc/27/24/01/574272401.db2.gz WBFSELPXKYQRSW-UHFFFAOYSA-N 0 1 294.782 2.589 20 30 CFEDMN C#CCN(CC(=O)N(C)C1CCC(C)CC1)C1CCCC1 ZINC000756911617 574272924 /nfs/dbraw/zinc/27/29/24/574272924.db2.gz XIYXAGDWOJKKNK-UHFFFAOYSA-N 0 1 290.451 2.901 20 30 CFEDMN CCC[C@H](C)CC(=O)[C@@H](C#N)C(=O)NC1CCCCC1 ZINC000749048856 574278051 /nfs/dbraw/zinc/27/80/51/574278051.db2.gz PPGUXWLPDCTJAB-GXTWGEPZSA-N 0 1 278.396 2.970 20 30 CFEDMN c1nn(Cc2ccccc2)cc1CN=Nc1ccccn1 ZINC000725728434 574289403 /nfs/dbraw/zinc/28/94/03/574289403.db2.gz WPFFWYRYKVTCJX-UHFFFAOYSA-N 0 1 277.331 2.772 20 30 CFEDMN Cc1cc(C)cc(-c2ccc(C=NNC(=N)N)cc2)c1 ZINC000741450765 574290972 /nfs/dbraw/zinc/29/09/72/574290972.db2.gz AKMZBPZFFMZFHM-UHFFFAOYSA-N 0 1 266.348 2.787 20 30 CFEDMN CC(=NNc1nc2ccccc2n1C)c1cnc(C)nc1C ZINC000741459772 574291073 /nfs/dbraw/zinc/29/10/73/574291073.db2.gz HJSZLDCKMSZOPL-UHFFFAOYSA-N 0 1 294.362 2.816 20 30 CFEDMN CC(C)CON=Cc1ccccc1N1CCO[C@H](C)C1 ZINC000749636837 574303633 /nfs/dbraw/zinc/30/36/33/574303633.db2.gz SWARUESNXLEFRJ-CQSZACIVSA-N 0 1 276.380 2.918 20 30 CFEDMN C#CCOc1ccc(CN[C@@H](CO)c2cccc(F)c2)cc1 ZINC000734847352 574304189 /nfs/dbraw/zinc/30/41/89/574304189.db2.gz KHNMRDMWHOOITL-SFHVURJKSA-N 0 1 299.345 2.661 20 30 CFEDMN CCCn1cc(C=NNc2ccccc2[N+](=O)[O-])cn1 ZINC000734976911 574308588 /nfs/dbraw/zinc/30/85/88/574308588.db2.gz UIHBQTGYYZQXNS-UHFFFAOYSA-N 0 1 273.296 2.647 20 30 CFEDMN CC[C@@H](C)CN(C)c1ccc(F)cc1C=NN[C@@H](C)CO ZINC000749817571 574310719 /nfs/dbraw/zinc/31/07/19/574310719.db2.gz KFUFKBFYCVQEGP-OLZOCXBDSA-N 0 1 295.402 2.612 20 30 CFEDMN Cc1nc(Cl)cc(N=NCc2cc(F)c(O)c(F)c2)n1 ZINC000749859766 574312968 /nfs/dbraw/zinc/31/29/68/574312968.db2.gz UBEZTRYFTSPDLP-UHFFFAOYSA-N 0 1 298.680 2.868 20 30 CFEDMN Cc1nc(Cl)cc(NN=Cc2cc(F)c(O)c(F)c2)n1 ZINC000749859766 574312971 /nfs/dbraw/zinc/31/29/71/574312971.db2.gz UBEZTRYFTSPDLP-UHFFFAOYSA-N 0 1 298.680 2.868 20 30 CFEDMN C=CC1CCN(CN2C(=O)[C@H]3CCCCC[C@@H]32)CC1 ZINC000749953453 574317838 /nfs/dbraw/zinc/31/78/38/574317838.db2.gz MPTZNJBEYKVJNU-GJZGRUSLSA-N 0 1 262.397 2.633 20 30 CFEDMN N#CCOc1ccc(Cl)cc1CN1CCCC1 ZINC000735304326 574319784 /nfs/dbraw/zinc/31/97/84/574319784.db2.gz FVBQTOYBPORHFK-UHFFFAOYSA-N 0 1 250.729 2.838 20 30 CFEDMN C=CCC[N@H+](CC)[C@H](C)c1ccc(-c2nn[nH]n2)cc1 ZINC000735413680 574322988 /nfs/dbraw/zinc/32/29/88/574322988.db2.gz XGPYOUOQSORJFF-GFCCVEGCSA-N 0 1 271.368 2.826 20 30 CFEDMN C=CCCCN1CCN(C(=O)OC(C)(C)C)C[C@@H]1C ZINC000735493429 574327197 /nfs/dbraw/zinc/32/71/97/574327197.db2.gz PMBMGCUBTBNXET-ZDUSSCGKSA-N 0 1 268.401 2.894 20 30 CFEDMN O=c1c2ccccc2[nH]c(=S)n1N=Cc1cccc(F)c1 ZINC000725857831 574333650 /nfs/dbraw/zinc/33/36/50/574333650.db2.gz CLDAKBSMMLJGNA-UHFFFAOYSA-N 0 1 299.330 2.707 20 30 CFEDMN O=c1c2ccccc2[nH]c(=S)n1N=C[C@@H]1CC=CCC1 ZINC000725857646 574333752 /nfs/dbraw/zinc/33/37/52/574333752.db2.gz AKGIBCWWUVDKSN-LLVKDONJSA-N 0 1 285.372 2.875 20 30 CFEDMN C=C(C)[C@@H](CO)N1CC[C@@H](Oc2ccccc2Cl)C1 ZINC000678049505 574344064 /nfs/dbraw/zinc/34/40/64/574344064.db2.gz KXEUWYOMDIAICY-TZMCWYRMSA-N 0 1 281.783 2.730 20 30 CFEDMN N#CC(C(=O)CCC1CCC1)C(=O)NC1CCCCC1 ZINC000750684814 574350928 /nfs/dbraw/zinc/35/09/28/574350928.db2.gz VGMTVAKZWPJTDP-AWEZNQCLSA-N 0 1 276.380 2.724 20 30 CFEDMN Cc1ccnc2[nH]c([C@@H](C#N)C(=O)C=Cc3ccco3)nc21 ZINC000750724617 574352619 /nfs/dbraw/zinc/35/26/19/574352619.db2.gz OCILSZQLOSJDBG-RXNFCKPNSA-N 0 1 292.298 2.749 20 30 CFEDMN C[C@@H]1C[N@H+](C2CC2)CC1N=Nc1cccc(C(F)(F)F)n1 ZINC000755891989 574361288 /nfs/dbraw/zinc/36/12/88/574361288.db2.gz OYGGLUPCDFEJDR-SECBINFHSA-N 0 1 298.312 2.982 20 30 CFEDMN Fc1cccc(CNN=Cc2cc(-c3cccnc3)[nH]n2)c1 ZINC000743438350 574364641 /nfs/dbraw/zinc/36/46/41/574364641.db2.gz SCZSRSCDIJCOLH-UHFFFAOYSA-N 0 1 295.321 2.735 20 30 CFEDMN Clc1ccc(N=NCc2cn3ccccc3n2)cn1 ZINC000743450629 574365054 /nfs/dbraw/zinc/36/50/54/574365054.db2.gz UQEBSJHTGPZKCP-UHFFFAOYSA-N 0 1 271.711 2.829 20 30 CFEDMN O=[N+]([O-])c1ccc(O)cc1C=NNc1ncccc1Cl ZINC000751130086 574369910 /nfs/dbraw/zinc/36/99/10/574369910.db2.gz BZPUPVGWWXWRLM-UHFFFAOYSA-N 0 1 292.682 2.795 20 30 CFEDMN O=[N+]([O-])c1ccc(O)cc1C=NNc1ccc(Cl)nc1 ZINC000751132702 574369947 /nfs/dbraw/zinc/36/99/47/574369947.db2.gz GQTHGTRXMWKEHI-UHFFFAOYSA-N 0 1 292.682 2.795 20 30 CFEDMN CC[C@@H](C#N)OC(=O)c1[nH]c(-c2ccccc2)nc1C ZINC000753428655 574402390 /nfs/dbraw/zinc/40/23/90/574402390.db2.gz OZJCRNSDIPVRDM-LBPRGKRZSA-N 0 1 269.304 2.844 20 30 CFEDMN C#CCCN1CC[C@H]1CN(C)C(=O)c1ccsc1Cl ZINC001085857295 782186426 /nfs/dbraw/zinc/18/64/26/782186426.db2.gz UYLKACBWDLONAH-NSHDSACASA-N 0 1 296.823 2.571 20 30 CFEDMN CC(C)(C#N)CCC[N@H+]1CCC[C@@H](CC(=O)[O-])C1 ZINC000087600036 597071588 /nfs/dbraw/zinc/07/15/88/597071588.db2.gz WNBLZASLOMTMPF-LBPRGKRZSA-N 0 1 252.358 2.503 20 30 CFEDMN C=CC[N@H+](CC(=O)[O-])Cc1ccc(CC(F)(F)F)cc1 ZINC000901587337 620863055 /nfs/dbraw/zinc/86/30/55/620863055.db2.gz XKUPZZSAZRVGFG-UHFFFAOYSA-N 0 1 287.281 2.864 20 30 CFEDMN Cc1ccc(NN=Cc2sccc2Cl)nn1 ZINC000782229637 628617356 /nfs/dbraw/zinc/61/73/56/628617356.db2.gz GBDBFMRXWAQQDL-UHFFFAOYSA-N 0 1 252.730 2.946 20 30 CFEDMN C=C[C@H](CC)CC(=O)N[C@H](Cc1nc[nH]n1)c1ccccc1 ZINC000935481012 649911970 /nfs/dbraw/zinc/91/19/70/649911970.db2.gz VLHNKISAIPXJAG-UKRRQHHQSA-N 0 1 298.390 2.807 20 30 CFEDMN CC(C)(C#N)CC[N@@H+](CCC(=O)[O-])Cc1ccccc1 ZINC000692444796 600944249 /nfs/dbraw/zinc/94/42/49/600944249.db2.gz GXEPYBBOHAXTOD-UHFFFAOYSA-N 0 1 274.364 2.903 20 30 CFEDMN CCCC[C@@H](C(=O)[O-])[N@@H+](C)Cc1ccc(C#N)cc1 ZINC000829274982 600985592 /nfs/dbraw/zinc/98/55/92/600985592.db2.gz AIDZCRMLFFXOLY-AWEZNQCLSA-N 0 1 260.337 2.633 20 30 CFEDMN C=CC[N@H+](C/C=C(\C)C(=O)[O-])Cc1cccc(C#N)c1 ZINC000825682211 601159536 /nfs/dbraw/zinc/15/95/36/601159536.db2.gz TZZVIDKQTOKNLK-NTUHNPAUSA-N 0 1 270.332 2.577 20 30 CFEDMN CC[C@H]1CCC[N@H+]([C@H](C(=O)[O-])c2cccc(C#N)c2)C1 ZINC000829126405 601311269 /nfs/dbraw/zinc/31/12/69/601311269.db2.gz YMPVFNNRPDKORE-WFASDCNBSA-N 0 1 272.348 2.806 20 30 CFEDMN CC1(C)C[N@H+]([C@H](C(=O)[O-])c2ccc(C#N)cc2)CCS1 ZINC000828074994 601328397 /nfs/dbraw/zinc/32/83/97/601328397.db2.gz YKKNGESWLOFVCU-ZDUSSCGKSA-N 0 1 290.388 2.511 20 30 CFEDMN O=C([O-])[C@H]1CCCC[N@@H+]1CC#Cc1ccc(Cl)cc1 ZINC000833188815 601577314 /nfs/dbraw/zinc/57/73/14/601577314.db2.gz MGRBGYHEBUFJHN-CQSZACIVSA-N 0 1 277.751 2.631 20 30 CFEDMN O=C([O-])[C@H]1CCCC[N@H+]1CC#Cc1ccc(Cl)cc1 ZINC000833188815 601577317 /nfs/dbraw/zinc/57/73/17/601577317.db2.gz MGRBGYHEBUFJHN-CQSZACIVSA-N 0 1 277.751 2.631 20 30 CFEDMN C#CC[N@H+](Cc1ccc(C(=O)[O-])cc1)C1CCCC1 ZINC000688845949 601663884 /nfs/dbraw/zinc/66/38/84/601663884.db2.gz IGSHNZIRCNBBOV-UHFFFAOYSA-N 0 1 257.333 2.763 20 30 CFEDMN C[C@H](c1ccc(C#N)cc1)[N@H+]1CCSC[C@@H]1CC(=O)[O-] ZINC000091133199 601919470 /nfs/dbraw/zinc/91/94/70/601919470.db2.gz SQFYXHJWFPZAFZ-RISCZKNCSA-N 0 1 290.388 2.511 20 30 CFEDMN C[C@@H]1CCC[N@@H+](CCCC(C)(C)C#N)[C@H]1CNC(=O)[O-] ZINC000825926065 603721467 /nfs/dbraw/zinc/72/14/67/603721467.db2.gz UMKXIFNHKYPNIS-OLZOCXBDSA-N 0 1 281.400 2.684 20 30 CFEDMN C=C(Br)C[N@@H+](C)CC[C@@H](NC(=O)[O-])C(C)C ZINC000823474030 603822203 /nfs/dbraw/zinc/82/22/03/603822203.db2.gz LKQYIWJCNOVRSU-SNVBAGLBSA-N 0 1 293.205 2.509 20 30 CFEDMN C=C(Br)C[N@H+](C)CC[C@@H](NC(=O)[O-])C(C)C ZINC000823474030 603822208 /nfs/dbraw/zinc/82/22/08/603822208.db2.gz LKQYIWJCNOVRSU-SNVBAGLBSA-N 0 1 293.205 2.509 20 30 CFEDMN C=CCN1CCC[C@H](NC(=O)[C@@H]2CCC(C)(C)C2)C1 ZINC001008447217 651148583 /nfs/dbraw/zinc/14/85/83/651148583.db2.gz HZSJEJZEXHSYAK-KGLIPLIRSA-N 0 1 264.413 2.579 20 30 CFEDMN CC(C)(C(=O)[O-])[C@@H]1CCC[N@@H+](Cc2ccccc2C#N)C1 ZINC000135027379 604938360 /nfs/dbraw/zinc/93/83/60/604938360.db2.gz QTOAJDBRIMXCTC-OAHLLOKOSA-N 0 1 286.375 2.881 20 30 CFEDMN C=CC[N@H+](CCc1ccccc1)Cc1ccc(C(=O)[O-])[nH]1 ZINC000833374670 605103477 /nfs/dbraw/zinc/10/34/77/605103477.db2.gz WZFXBNVPOMQZSX-UHFFFAOYSA-N 0 1 284.359 2.944 20 30 CFEDMN C[C@@]1(C#N)CCC[N@@H+]([C@@H](C(=O)[O-])c2ccccc2F)C1 ZINC000833551227 605419706 /nfs/dbraw/zinc/41/97/06/605419706.db2.gz JWMPSHPMCCNLBW-HIFRSBDPSA-N 0 1 276.311 2.577 20 30 CFEDMN C[C@@]1(C#N)CCC[N@H+]([C@@H](C(=O)[O-])c2ccccc2F)C1 ZINC000833551227 605419709 /nfs/dbraw/zinc/41/97/09/605419709.db2.gz JWMPSHPMCCNLBW-HIFRSBDPSA-N 0 1 276.311 2.577 20 30 CFEDMN CC(C)(C(=O)[O-])[C@H]1CCC[N@@H+](Cc2cc(C#N)cs2)C1 ZINC000833420058 605553021 /nfs/dbraw/zinc/55/30/21/605553021.db2.gz OANDKCDEBSDVRN-LBPRGKRZSA-N 0 1 292.404 2.943 20 30 CFEDMN CC(C)(C(=O)[O-])[C@H]1CCC[N@@H+](Cc2ccc(C#N)s2)C1 ZINC000833419971 605553118 /nfs/dbraw/zinc/55/31/18/605553118.db2.gz LPBUHWYIDBKWCE-NSHDSACASA-N 0 1 292.404 2.943 20 30 CFEDMN C#CCN(C)[C@@H]1CCN(C(=O)[C@@]2(C)CCC(C)=C(C)C2)C1 ZINC000980516022 613083443 /nfs/dbraw/zinc/08/34/43/613083443.db2.gz QPMJCRRPAZJYPJ-AEFFLSMTSA-N 0 1 288.435 2.679 20 30 CFEDMN C#CCN(C)[C@@H]1CCN(C(=O)c2c(C)oc3ccccc32)C1 ZINC000971597259 613084366 /nfs/dbraw/zinc/08/43/66/613084366.db2.gz PEZXXFDKDFYXNS-CQSZACIVSA-N 0 1 296.370 2.521 20 30 CFEDMN C#CCN(C)[C@@H]1CCN(C(=O)c2ccc(CC)c(CC)c2)C1 ZINC000980573505 613085860 /nfs/dbraw/zinc/08/58/60/613085860.db2.gz GQPGHKRDOCDTMU-GOSISDBHSA-N 0 1 298.430 2.591 20 30 CFEDMN C#CCN(C)[C@H]1CCN(C(=O)C[C@@H](C)C2CCCCC2)C1 ZINC000972537432 613089815 /nfs/dbraw/zinc/08/98/15/613089815.db2.gz SUXSZFAMQKHMHH-WBVHZDCISA-N 0 1 290.451 2.759 20 30 CFEDMN C#CCN(C)[C@H]1CCN(C(=O)c2sccc2C(C)C)C1 ZINC000980465073 613097248 /nfs/dbraw/zinc/09/72/48/613097248.db2.gz FHNPGRZTSCGLCW-ZDUSSCGKSA-N 0 1 290.432 2.651 20 30 CFEDMN C#CCN1CCCCC[C@@H]1CNC(=O)[C@H]1CCCC12CC2 ZINC000968914324 613146057 /nfs/dbraw/zinc/14/60/57/613146057.db2.gz SHOLVODQBCJGBJ-HZPDHXFCSA-N 0 1 288.435 2.561 20 30 CFEDMN C#CCN1CCCCC[C@H]1CNC(=O)C12CCC(CC1)C2 ZINC000968916544 613148190 /nfs/dbraw/zinc/14/81/90/613148190.db2.gz CNIZCDWDYQONIQ-PQUAAJSLSA-N 0 1 288.435 2.561 20 30 CFEDMN C#CCN1CCCCC[C@H]1CNC(=O)c1csc(C)c1 ZINC000969073060 613150256 /nfs/dbraw/zinc/15/02/56/613150256.db2.gz VPMFUMDBGSFAAW-HNNXBMFYSA-N 0 1 290.432 2.664 20 30 CFEDMN C#Cc1ccc(C(=O)N2CCN(CCC(C)(C)C)CC2)cc1 ZINC000949596891 613169982 /nfs/dbraw/zinc/16/99/82/613169982.db2.gz BVIGOIVTPZKAAH-UHFFFAOYSA-N 0 1 298.430 2.862 20 30 CFEDMN C#CCN1CC[C@@H](NC(=O)[C@@H](C)c2ccccc2)C(C)(C)C1 ZINC000941169354 613229287 /nfs/dbraw/zinc/22/92/87/613229287.db2.gz MNYKCWSAONEBQH-DOTOQJQBSA-N 0 1 298.430 2.640 20 30 CFEDMN C#CCN1CC[C@@H](NC(=O)c2c(C)cccc2C)C(C)(C)C1 ZINC000941052564 613230467 /nfs/dbraw/zinc/23/04/67/613230467.db2.gz RJUOOENLEPGQHE-MRXNPFEDSA-N 0 1 298.430 2.767 20 30 CFEDMN C=C(C)CCN1CC(N(CC)C(=O)[C@@H]2CC[C@@H](F)C2)C1 ZINC000951386392 613245252 /nfs/dbraw/zinc/24/52/52/613245252.db2.gz AERPFHYOCCMTGL-ZIAGYGMSSA-N 0 1 282.403 2.624 20 30 CFEDMN C=C(C)CCN1CC(N(CC)C(=O)[C@@H]2C[C@]2(C)CC)C1 ZINC000957067470 613245832 /nfs/dbraw/zinc/24/58/32/613245832.db2.gz LOKKECUBHZWQPW-RDJZCZTQSA-N 0 1 278.440 2.922 20 30 CFEDMN C=C(C)CCN1CCN(C(=O)C2(C3CC3)CCC2)CC1 ZINC000949501994 613256788 /nfs/dbraw/zinc/25/67/88/613256788.db2.gz QRTUQYKWPROUJO-UHFFFAOYSA-N 0 1 276.424 2.677 20 30 CFEDMN C=C(C)CCN1CCN(C(=O)C2(C(C)(F)F)CC2)CC1 ZINC000950548268 613257009 /nfs/dbraw/zinc/25/70/09/613257009.db2.gz BUQXZVCAOYUNOT-UHFFFAOYSA-N 0 1 286.366 2.532 20 30 CFEDMN C=C(C)CCN1CCN(C(=O)C[C@H]2CC[C@H](C)C2)CC1 ZINC000949737300 613258363 /nfs/dbraw/zinc/25/83/63/613258363.db2.gz BVORRZZFCPZTFO-HOTGVXAUSA-N 0 1 278.440 2.923 20 30 CFEDMN C=C(C)CCN1CCN(C(=O)[C@@H]2CCCC2(C)C)CC1 ZINC000949725979 613259245 /nfs/dbraw/zinc/25/92/45/613259245.db2.gz YBQVRBXFQYNWIG-HNNXBMFYSA-N 0 1 278.440 2.923 20 30 CFEDMN C=C(C)CCN1CCN(C(=O)[C@@H]2CCC[C@@H]2CC)CC1 ZINC000950099369 613259324 /nfs/dbraw/zinc/25/93/24/613259324.db2.gz MROWFNJPXRJUMV-JKSUJKDBSA-N 0 1 278.440 2.923 20 30 CFEDMN C=C(C)CCN1CCN(C(=O)c2cc(F)ccc2C)CC1 ZINC000949543251 613261113 /nfs/dbraw/zinc/26/11/13/613261113.db2.gz LILFKYGKXBDVBQ-UHFFFAOYSA-N 0 1 290.382 2.858 20 30 CFEDMN C=C(C)CCN1CCN(C(=O)c2csc(C)c2)CC1 ZINC000951746220 613262278 /nfs/dbraw/zinc/26/22/78/613262278.db2.gz HNABAUHWPHCNLS-UHFFFAOYSA-N 0 1 278.421 2.781 20 30 CFEDMN C#CCN1CC[C@H](NC(=O)c2ccc(Cl)s2)C[C@@H]1C ZINC000947999331 613269479 /nfs/dbraw/zinc/26/94/79/613269479.db2.gz XSOBTZGYTDZXAE-QWRGUYRKSA-N 0 1 296.823 2.617 20 30 CFEDMN C#CCN1CC[C@H](NC(=O)c2coc3ccccc23)C[C@H]1C ZINC000948094001 613276599 /nfs/dbraw/zinc/27/65/99/613276599.db2.gz DGCRKGHMIFLNPD-KGLIPLIRSA-N 0 1 296.370 2.649 20 30 CFEDMN C#CCN1C[C@H](NC(=O)[C@@H]2CCC(C)=C(C)C2)C(C)(C)C1 ZINC000974641959 613297554 /nfs/dbraw/zinc/29/75/54/613297554.db2.gz XZEYMDJQDMGGCF-CVEARBPZSA-N 0 1 288.435 2.583 20 30 CFEDMN C#CCN1C[C@H](NC(=O)[C@@H]2CCCC(C)(C)C2)C(C)(C)C1 ZINC000977654993 613297885 /nfs/dbraw/zinc/29/78/85/613297885.db2.gz USUKUGJCTPYDNJ-CABCVRRESA-N 0 1 290.451 2.663 20 30 CFEDMN C=C(C)CN1CCCN(C(=O)C2Cc3ccccc3C2)CC1 ZINC000982025005 613307547 /nfs/dbraw/zinc/30/75/47/613307547.db2.gz VHGQLSNVYJHSQC-UHFFFAOYSA-N 0 1 298.430 2.512 20 30 CFEDMN C=C(C)CN1CCCN(C(=O)C(C)(C)C(=C)C)CC1 ZINC000981741260 613307656 /nfs/dbraw/zinc/30/76/56/613307656.db2.gz WSGYCRDCMLUCNX-UHFFFAOYSA-N 0 1 264.413 2.699 20 30 CFEDMN C=C(C)CN1CCCN(C(=O)[C@@H](C)c2ccsc2)CC1 ZINC000981941443 613309512 /nfs/dbraw/zinc/30/95/12/613309512.db2.gz QEJPEMKSNGRFSB-AWEZNQCLSA-N 0 1 292.448 2.962 20 30 CFEDMN C=C(C)CN1CCCN(C(=O)[C@@H]2CCC[C@@H]2CC)CC1 ZINC000981895314 613309669 /nfs/dbraw/zinc/30/96/69/613309669.db2.gz MUSLSXKQBRJXJZ-JKSUJKDBSA-N 0 1 278.440 2.923 20 30 CFEDMN C=C(C)CN1CCCN(C(=O)c2[nH]ccc2C2CC2)CC1 ZINC000981305652 613311525 /nfs/dbraw/zinc/31/15/25/613311525.db2.gz ULHOJUBSRZMFQW-UHFFFAOYSA-N 0 1 287.407 2.616 20 30 CFEDMN C=C(C)CN1CCCN(C(=O)[C@@]23C[C@@H]2CCCC3)CC1 ZINC000981915596 613311611 /nfs/dbraw/zinc/31/16/11/613311611.db2.gz KYICLAFUHMVZOJ-RDJZCZTQSA-N 0 1 276.424 2.677 20 30 CFEDMN C=C(C)CN1CCCN(C(=O)c2cc3ncccc3o2)CC1 ZINC000981631672 613311932 /nfs/dbraw/zinc/31/19/32/613311932.db2.gz VAZAELUJMSHKFE-UHFFFAOYSA-N 0 1 299.374 2.552 20 30 CFEDMN C=C(C)CN1CCCN(C(=O)c2cc(C)ccc2F)CC1 ZINC000982031368 613311978 /nfs/dbraw/zinc/31/19/78/613311978.db2.gz INZUJZORCLNXRF-UHFFFAOYSA-N 0 1 290.382 2.858 20 30 CFEDMN C=C(C)CN1CC[C@@H](C)[C@@H](NC(=O)c2ccc(Cl)o2)C1 ZINC000965157814 613324298 /nfs/dbraw/zinc/32/42/98/613324298.db2.gz YQARVFCXOQCKMW-NEPJUHHUSA-N 0 1 296.798 2.949 20 30 CFEDMN C=C(C)CN1CC[C@H](C)[C@@H](NC(=O)c2occc2Cl)C1 ZINC000968234679 613333255 /nfs/dbraw/zinc/33/32/55/613333255.db2.gz PSORYWJKTSHCTM-AAEUAGOBSA-N 0 1 296.798 2.949 20 30 CFEDMN C=C(C)CN1CC[C@H](C)[C@H](NC(=O)c2occc2CC)C1 ZINC000968255372 613334586 /nfs/dbraw/zinc/33/45/86/613334586.db2.gz QYLMJTYKOADDDX-DZGCQCFKSA-N 0 1 290.407 2.858 20 30 CFEDMN C=C(Cl)CN1CCC[C@@H](N(C)C(=O)[C@H]2C[C@@H]2C)CC1 ZINC000948688178 613374511 /nfs/dbraw/zinc/37/45/11/613374511.db2.gz IQSJXGLJFZSZIL-YUTCNCBUSA-N 0 1 284.831 2.708 20 30 CFEDMN C=C(Cl)CN1CCC[C@H](N(C)C(=O)C2CCC2)CC1 ZINC000948140053 613374514 /nfs/dbraw/zinc/37/45/14/613374514.db2.gz MXRDQKJTCLUVPF-AWEZNQCLSA-N 0 1 284.831 2.852 20 30 CFEDMN C=C(Cl)CN[C@@H]1CCN(C(=O)C2CCC=CCC2)C1 ZINC000970739506 613384381 /nfs/dbraw/zinc/38/43/81/613384381.db2.gz QCJSPJAVVQXZDP-CQSZACIVSA-N 0 1 282.815 2.676 20 30 CFEDMN C=C(Cl)CN[C@@H]1CCN(C(=O)[C@@H]2CC3CCC2CC3)C1 ZINC000970804241 613385072 /nfs/dbraw/zinc/38/50/72/613385072.db2.gz PEKUFVWCMWVWFG-NEXFUWMNSA-N 0 1 296.842 2.756 20 30 CFEDMN C=C(Cl)CN[C@@H]1CCN(C(=O)c2cc(C)ccc2F)C1 ZINC000970091253 613385723 /nfs/dbraw/zinc/38/57/23/613385723.db2.gz FXCLWQVCFRWKCJ-GFCCVEGCSA-N 0 1 296.773 2.691 20 30 CFEDMN C=C(Cl)CN[C@@H]1CCN(C(=O)c2ccoc2C2CC2)C1 ZINC000969713976 613385797 /nfs/dbraw/zinc/38/57/97/613385797.db2.gz RHDZFRPRGQHTOS-GFCCVEGCSA-N 0 1 294.782 2.714 20 30 CFEDMN C=C1CC(C)(C(=O)N(C)[C@H]2CCCN(CCF)CC2)C1 ZINC000948753194 613393134 /nfs/dbraw/zinc/39/31/34/613393134.db2.gz GWOIINLBWVMFRJ-AWEZNQCLSA-N 0 1 282.403 2.625 20 30 CFEDMN C=C1CCC(C(=O)N(CC)C2CN(CC3CC3)C2)CC1 ZINC000951620074 613403264 /nfs/dbraw/zinc/40/32/64/613403264.db2.gz UMQNIOKMVZFYNK-UHFFFAOYSA-N 0 1 276.424 2.676 20 30 CFEDMN C=C1CCC(C(=O)N2CCN(CCC3CC3)CC2)CC1 ZINC000950047487 613405166 /nfs/dbraw/zinc/40/51/66/613405166.db2.gz XQKXAEYIWRUCHW-UHFFFAOYSA-N 0 1 276.424 2.677 20 30 CFEDMN C=C1CCC(C(=O)N[C@@H]2CN(CC#CC)CC[C@H]2C)CC1 ZINC000968216079 613410865 /nfs/dbraw/zinc/41/08/65/613410865.db2.gz ZMEVBSQYTKNDRF-NVXWUHKLSA-N 0 1 288.435 2.583 20 30 CFEDMN C=CC(C)(C)C(=O)N1CCN(CC2CC3(CCC3)C2)CC1 ZINC000949666884 613433263 /nfs/dbraw/zinc/43/32/63/613433263.db2.gz HOCQVKSHAGYGOF-UHFFFAOYSA-N 0 1 290.451 2.923 20 30 CFEDMN C=C[C@H](C(=O)N1CCN(C(C)C)CC1)c1ccccc1 ZINC000957743949 613481601 /nfs/dbraw/zinc/48/16/01/613481601.db2.gz FFBHILWYVQDIFO-INIZCTEOSA-N 0 1 272.392 2.509 20 30 CFEDMN C=CCCN1CCN(C(=O)C(CC)(CC)CC)CC1 ZINC000952432644 613502108 /nfs/dbraw/zinc/50/21/08/613502108.db2.gz FJBDTSSGTSWHPE-UHFFFAOYSA-N 0 1 266.429 2.923 20 30 CFEDMN C=CCCN1CCN(C(=O)[C@@H](C)c2ccccc2F)CC1 ZINC000952306772 613505449 /nfs/dbraw/zinc/50/54/49/613505449.db2.gz JRRJPJSJTFRPCJ-AWEZNQCLSA-N 0 1 290.382 2.650 20 30 CFEDMN C=CCCN1CCN(C(=O)[C@@H]2CCC[C@@H](C)C2)CC1 ZINC000949934943 613505967 /nfs/dbraw/zinc/50/59/67/613505967.db2.gz BMEYLUDIXZIXGP-HUUCEWRRSA-N 0 1 264.413 2.533 20 30 CFEDMN C=CCCN1CCN(C(=O)[C@@]2(C)CCc3ccccc32)CC1 ZINC000957860786 613506732 /nfs/dbraw/zinc/50/67/32/613506732.db2.gz FKJJYSNJBNHYFA-IBGZPJMESA-N 0 1 298.430 2.611 20 30 CFEDMN C=CCCN1CCN(C(=O)[C@@H]2C[C@H]2c2ccccc2)CC1 ZINC000957391093 613507017 /nfs/dbraw/zinc/50/70/17/613507017.db2.gz IMBFJOFATXJMJS-DLBZAZTESA-N 0 1 284.403 2.510 20 30 CFEDMN C=CCCN1CCN(C(=O)[C@H]2CCCC2(C)C)CC1 ZINC000949728635 613507733 /nfs/dbraw/zinc/50/77/33/613507733.db2.gz CPKBXNDJOWUSSO-CQSZACIVSA-N 0 1 264.413 2.533 20 30 CFEDMN C=CCCN1CCN(C(=O)[C@H]2CCCC[C@H]2C)CC1 ZINC000949930529 613508176 /nfs/dbraw/zinc/50/81/76/613508176.db2.gz PGMSEWLANFBJRG-CABCVRRESA-N 0 1 264.413 2.533 20 30 CFEDMN C=CCCN1CCN(C(=O)c2c(C)cccc2C)CC1 ZINC000950669097 613508769 /nfs/dbraw/zinc/50/87/69/613508769.db2.gz VKFZBHKVHHCNGV-UHFFFAOYSA-N 0 1 272.392 2.637 20 30 CFEDMN C=CCCN1CCN(C(=O)c2ccc(C3CC3)nc2C)CC1 ZINC000950570430 613510232 /nfs/dbraw/zinc/51/02/32/613510232.db2.gz LRKGMRDOLZGDRC-UHFFFAOYSA-N 0 1 299.418 2.601 20 30 CFEDMN C=CCCN1CCN(C(=O)c2ccc3c(c2)CCCC3)CC1 ZINC000957547409 613510816 /nfs/dbraw/zinc/51/08/16/613510816.db2.gz ATULAZPSLJXZDL-UHFFFAOYSA-N 0 1 298.430 2.899 20 30 CFEDMN C=CCCN1CCN(C(=O)c2cccc(C)c2C)CC1 ZINC000957521279 613510857 /nfs/dbraw/zinc/51/08/57/613510857.db2.gz LMUUMNNILBFWSM-UHFFFAOYSA-N 0 1 272.392 2.637 20 30 CFEDMN C=CCCN1CCN(C(=O)c2cccc(C3CC3)c2)CC1 ZINC000957817520 613510892 /nfs/dbraw/zinc/51/08/92/613510892.db2.gz LBTSBVRJGNDKIV-UHFFFAOYSA-N 0 1 284.403 2.898 20 30 CFEDMN C=Cc1ccc(C(=O)N[C@@H]2CN(CC#CC)CC[C@H]2C)cc1 ZINC000968346031 613514642 /nfs/dbraw/zinc/51/46/42/613514642.db2.gz RECIVDBZLGBZGS-CRAIPNDOSA-N 0 1 296.414 2.793 20 30 CFEDMN CC#CCN1CC([C@@H](C)NC(=O)c2ccccc2CCC)C1 ZINC000970115685 613533654 /nfs/dbraw/zinc/53/36/54/613533654.db2.gz FRSYJMJXIKORJE-OAHLLOKOSA-N 0 1 298.430 2.713 20 30 CFEDMN CC#CCN1CC[C@H](C)[C@@H](NC(=O)C=C2CCCCC2)C1 ZINC000965449423 613590844 /nfs/dbraw/zinc/59/08/44/613590844.db2.gz OIMIOKIJQYOGJQ-RDJZCZTQSA-N 0 1 288.435 2.727 20 30 CFEDMN CC#CCN1CC[C@H](C)[C@@H](NC(=O)C2CCCCCC2)C1 ZINC000965479702 613590888 /nfs/dbraw/zinc/59/08/88/613590888.db2.gz WDUPWFODWGYNBL-RDJZCZTQSA-N 0 1 290.451 2.807 20 30 CFEDMN CC#CCN1CC[C@H](C)[C@H](NC(=O)C(C)=C2CCCC2)C1 ZINC000965891210 613593229 /nfs/dbraw/zinc/59/32/29/613593229.db2.gz SFYHJGZVFMUFKH-WMLDXEAASA-N 0 1 288.435 2.727 20 30 CFEDMN CC#CCN1C[C@H](NC(=O)C[C@H]2CC=CCC2)C(C)(C)C1 ZINC000974914160 613620605 /nfs/dbraw/zinc/62/06/05/613620605.db2.gz GGIYFEXOBUDCMX-HOTGVXAUSA-N 0 1 288.435 2.583 20 30 CFEDMN CC#CCN1C[C@H](NC(=O)CC2=CCCCC2)C(C)(C)C1 ZINC000972967202 613620670 /nfs/dbraw/zinc/62/06/70/613620670.db2.gz DZUKGKOFWFPORG-INIZCTEOSA-N 0 1 288.435 2.727 20 30 CFEDMN CC#CCN1C[C@H](NC(=O)c2cccc(C)c2C)C(C)(C)C1 ZINC000977578713 613623358 /nfs/dbraw/zinc/62/33/58/613623358.db2.gz WIXRKUDPQPLOKD-KRWDZBQOSA-N 0 1 298.430 2.767 20 30 CFEDMN C=CCN1CC([C@H](C)NC(=O)C2CCC(C)(C)CC2)C1 ZINC000970947491 613668243 /nfs/dbraw/zinc/66/82/43/613668243.db2.gz KYJAMZYBDGHOKW-ZDUSSCGKSA-N 0 1 278.440 2.825 20 30 CFEDMN C=CCN1CC([C@H](C)NC(=O)c2c(C)csc2Cl)C1 ZINC000970803619 613670169 /nfs/dbraw/zinc/67/01/69/613670169.db2.gz MHPCGPXBMNIGFB-JTQLQIEISA-N 0 1 298.839 2.946 20 30 CFEDMN C=CCN1CC([C@H](C)NC(=O)c2cc(C(C)C)oc2C)C1 ZINC000970669331 613670454 /nfs/dbraw/zinc/67/04/54/613670454.db2.gz SUIYKFFPSJQWBE-LBPRGKRZSA-N 0 1 290.407 2.948 20 30 CFEDMN C=CCN1CC([C@H](C)NC(=O)c2ccccc2CCC)C1 ZINC000970115660 613671922 /nfs/dbraw/zinc/67/19/22/613671922.db2.gz FQIRNLMXAFNMMC-AWEZNQCLSA-N 0 1 286.419 2.875 20 30 CFEDMN C=CCN1CC([C@H](C)NC(=O)c2cscc2Cl)C1 ZINC000969906513 613673670 /nfs/dbraw/zinc/67/36/70/613673670.db2.gz GDIPEAMPCNHHPZ-VIFPVBQESA-N 0 1 284.812 2.638 20 30 CFEDMN C=CCN1CC([C@H](C)NC(=O)c2sccc2C2CC2)C1 ZINC000970842378 613674275 /nfs/dbraw/zinc/67/42/75/613674275.db2.gz BLYNBYQFXHIEMB-NSHDSACASA-N 0 1 290.432 2.862 20 30 CFEDMN C=CCN1CC([C@H](C)NC(=O)c2sccc2Cl)C1 ZINC000969724283 613674281 /nfs/dbraw/zinc/67/42/81/613674281.db2.gz CXMVKMTZPWLPHY-VIFPVBQESA-N 0 1 284.812 2.638 20 30 CFEDMN C=CCN1CCCN(C(=O)[C@@H](c2ccccc2)C2CC2)CC1 ZINC000981615655 613690816 /nfs/dbraw/zinc/69/08/16/613690816.db2.gz VKTUNPKZYFBCNP-SFHVURJKSA-N 0 1 298.430 2.901 20 30 CFEDMN C=CCN1CCCN(C(=O)[C@H]2CCC(C)(C)C2)CC1 ZINC000981892276 613693567 /nfs/dbraw/zinc/69/35/67/613693567.db2.gz OJLBHHHBSTZRJF-AWEZNQCLSA-N 0 1 264.413 2.533 20 30 CFEDMN C=CCN1CCCN(C(=O)c2c(C)cccc2C)CC1 ZINC000982017529 613695780 /nfs/dbraw/zinc/69/57/80/613695780.db2.gz KAIFNKFJUHWTAE-UHFFFAOYSA-N 0 1 272.392 2.637 20 30 CFEDMN C=CCN1CCCN(C(=O)c2cc3ccccc3n2C)CC1 ZINC000981840423 613696440 /nfs/dbraw/zinc/69/64/40/613696440.db2.gz LQEMZSDJERILGO-UHFFFAOYSA-N 0 1 297.402 2.512 20 30 CFEDMN C=CCN1CC[C@@H](C)[C@@H](NC(=O)C(C)(C)C2CCC2)C1 ZINC000967501431 613727340 /nfs/dbraw/zinc/72/73/40/613727340.db2.gz UJODOAGKYMYBJH-HIFRSBDPSA-N 0 1 278.440 2.825 20 30 CFEDMN C=CCN1CC[C@@H](C)[C@@H](NC(=O)c2[nH]ccc2C2CC2)C1 ZINC000966636049 613729089 /nfs/dbraw/zinc/72/90/89/613729089.db2.gz UVZXWGFEYXZWSG-DOMZBBRYSA-N 0 1 287.407 2.518 20 30 CFEDMN C=CCN1CC[C@@H](C)[C@@H](NC(=O)c2ccnc(C3CC3)c2)C1 ZINC000967265518 613730804 /nfs/dbraw/zinc/73/08/04/613730804.db2.gz VRZQFYQCWYXJHS-DYVFJYSZSA-N 0 1 299.418 2.585 20 30 CFEDMN C=CCN1CC[C@@H](C)[C@H](NC(=O)c2cc(C)oc2C)C1 ZINC000965034342 613733626 /nfs/dbraw/zinc/73/36/26/613733626.db2.gz PVGMRSYMFKNWBR-IAQYHMDHSA-N 0 1 276.380 2.523 20 30 CFEDMN C=CCN1CC[C@H](C)[C@@H](NC(=O)C2CCC3(CC3)CC2)C1 ZINC000967402017 613767086 /nfs/dbraw/zinc/76/70/86/613767086.db2.gz KZLISXAZMSVPOC-HOCLYGCPSA-N 0 1 290.451 2.969 20 30 CFEDMN C=CCN1CC[C@H](C)[C@@H](NC(=O)CC2CC(C)(C)C2)C1 ZINC000967993761 613767131 /nfs/dbraw/zinc/76/71/31/613767131.db2.gz LXRNVFSDEUWUKB-ZFWWWQNUSA-N 0 1 278.440 2.825 20 30 CFEDMN C=CCN1CC[C@H](C)[C@@H](NC(=O)c2ccc(C3CC3)cn2)C1 ZINC000968598895 613768525 /nfs/dbraw/zinc/76/85/25/613768525.db2.gz NGCYYNGOTKIYGR-GUYCJALGSA-N 0 1 299.418 2.585 20 30 CFEDMN C=CCN1CC[C@H](C)[C@H](NC(=O)Cc2ccccc2C)C1 ZINC000968633679 613771749 /nfs/dbraw/zinc/77/17/49/613771749.db2.gz ZZKHAKDDEGMAAY-DOTOQJQBSA-N 0 1 286.419 2.550 20 30 CFEDMN C=CCN1CC[C@H](C)[C@H](NC(=O)C2CCC=CCC2)C1 ZINC000968661411 613771793 /nfs/dbraw/zinc/77/17/93/613771793.db2.gz ZNLMWRHZEHJXLH-GOEBONIOSA-N 0 1 276.424 2.745 20 30 CFEDMN C=CCN1CC[C@H](C)[C@H](NC(=O)c2cccc3cc[nH]c32)C1 ZINC000968344954 613774203 /nfs/dbraw/zinc/77/42/03/613774203.db2.gz FPUMHBSLZZHWBO-XJKSGUPXSA-N 0 1 297.402 2.794 20 30 CFEDMN C=CCN1C[C@@H](NC(=O)[C@@H](C)C2CCCC2)C(C)(C)C1 ZINC000977454406 613807890 /nfs/dbraw/zinc/80/78/90/613807890.db2.gz XOWQRJDBJUWMMA-DZGCQCFKSA-N 0 1 278.440 2.825 20 30 CFEDMN C=CCN1C[C@@H](NC(=O)[C@@H]2CC[C@@H]3C[C@@H]3CC2)C(C)(C)C1 ZINC000974878897 613808314 /nfs/dbraw/zinc/80/83/14/613808314.db2.gz MHGWOLOWDWTFPT-LVQVYYBASA-N 0 1 290.451 2.825 20 30 CFEDMN C=CCN1C[C@@H](NC(=O)[C@H]2CC23CCCC3)C(C)(C)C1 ZINC000977447854 613808659 /nfs/dbraw/zinc/80/86/59/613808659.db2.gz MJIVQFIKBIQRCO-ZIAGYGMSSA-N 0 1 276.424 2.579 20 30 CFEDMN C=CCN1C[C@@H](NC(=O)c2c(C)oc(C)c2C)C(C)(C)C1 ZINC000974792074 613809197 /nfs/dbraw/zinc/80/91/97/613809197.db2.gz SGEGWFJHUNWLDZ-CQSZACIVSA-N 0 1 290.407 2.831 20 30 CFEDMN C=CCN1C[C@H](NC(=O)c2ccccc2C)C(C)(C)C1 ZINC000972769322 613829307 /nfs/dbraw/zinc/82/93/07/613829307.db2.gz MSFSOGTWFYQSRQ-HNNXBMFYSA-N 0 1 272.392 2.621 20 30 CFEDMN CC(C)C(=O)N[C@H]1CN(Cc2cccc(C#N)c2)CC1(C)C ZINC000972816845 613959650 /nfs/dbraw/zinc/95/96/50/613959650.db2.gz DHFHNMCNLFFMIH-INIZCTEOSA-N 0 1 299.418 2.541 20 30 CFEDMN CCC(CC)C(=O)N1CC[C@@H](NCc2ccccc2C#N)C1 ZINC000967270164 614540056 /nfs/dbraw/zinc/54/00/56/614540056.db2.gz VRMHLULJTMQUIV-QGZVFWFLSA-N 0 1 299.418 2.685 20 30 CFEDMN Cn1cc([C@H]2CSCCCN2CC2(CC#N)CC2)cn1 ZINC000933976558 617854007 /nfs/dbraw/zinc/85/40/07/617854007.db2.gz UPZHJLCKMOJERK-CQSZACIVSA-N 0 1 290.436 2.594 20 30 CFEDMN O=C(/C=C\c1cccc([N+](=O)[O-])c1)c1cc(O)ccc1O ZINC000255085081 617954509 /nfs/dbraw/zinc/95/45/09/617954509.db2.gz GZUMWYHSYWXMIY-XQRVVYSFSA-N 0 1 285.255 2.902 20 30 CFEDMN CCn1nccc1/C=C\C(=O)c1cc(F)ccc1O ZINC000255206434 618096709 /nfs/dbraw/zinc/09/67/09/618096709.db2.gz YZCJKEUJUNZJPH-XQRVVYSFSA-N 0 1 260.268 2.644 20 30 CFEDMN CC(C)NC(=O)C(C#N)C(=O)CC[C@H](C)c1ccccc1 ZINC000160186995 617607417 /nfs/dbraw/zinc/60/74/17/617607417.db2.gz HYKWKBIVGDQLNE-ZFWWWQNUSA-N 0 1 286.375 2.804 20 30 CFEDMN CN(C)c1ccc(C(N)=NOCc2ccccc2F)cc1 ZINC000079873867 617630866 /nfs/dbraw/zinc/63/08/66/617630866.db2.gz KGKFYNDLKKKLKL-UHFFFAOYSA-N 0 1 287.338 2.729 20 30 CFEDMN C=CC[C@@H]1CCN1C(=O)c1cc(-c2cccc(OC)c2)[nH]n1 ZINC000890555122 617647147 /nfs/dbraw/zinc/64/71/47/617647147.db2.gz CSMXRZQVRAYEGY-CYBMUJFWSA-N 0 1 297.358 2.876 20 30 CFEDMN C=CC[C@H]1CCN1C(=O)c1cc(-c2cccc(OC)c2)[nH]n1 ZINC000890555123 617647527 /nfs/dbraw/zinc/64/75/27/617647527.db2.gz CSMXRZQVRAYEGY-ZDUSSCGKSA-N 0 1 297.358 2.876 20 30 CFEDMN C=CC[C@H]1CCN1C(=O)c1ccc(O)c(Cl)c1 ZINC000890562239 617654849 /nfs/dbraw/zinc/65/48/49/617654849.db2.gz USZNCVTXAJMPNM-JTQLQIEISA-N 0 1 251.713 2.836 20 30 CFEDMN C[C@H](CC(C)(C)C#N)N[C@H](CCO)c1ccco1 ZINC000926197612 617677531 /nfs/dbraw/zinc/67/75/31/617677531.db2.gz QGXRDYXUGLJOAM-VXGBXAGGSA-N 0 1 250.342 2.621 20 30 CFEDMN COC(C)(C)[C@@H](C)NCc1cccc(F)c1C#N ZINC000932373244 617698337 /nfs/dbraw/zinc/69/83/37/617698337.db2.gz YWOVXOKQSRKTKS-SNVBAGLBSA-N 0 1 250.317 2.600 20 30 CFEDMN C=CCN(Cc1ccc(OCCOC)o1)C(C)C ZINC000891675523 617705330 /nfs/dbraw/zinc/70/53/30/617705330.db2.gz VRINZBLWOGHGMH-UHFFFAOYSA-N 0 1 253.342 2.701 20 30 CFEDMN C#CCN(C[C@@H](O)c1cc2ccccc2o1)C(C)C ZINC000932382887 617705883 /nfs/dbraw/zinc/70/58/83/617705883.db2.gz CZWJCHBARPSUAZ-CQSZACIVSA-N 0 1 257.333 2.810 20 30 CFEDMN N#CC(C(=O)[C@@H]1CC=CCC1)c1nnc2n1CCCCC2 ZINC000120623576 617750867 /nfs/dbraw/zinc/75/08/67/617750867.db2.gz DMUZBKUENUMLOL-OLZOCXBDSA-N 0 1 284.363 2.537 20 30 CFEDMN COc1ccc(C(=O)/C=C\c2cnn3ccccc23)c(O)c1 ZINC000255027896 617759279 /nfs/dbraw/zinc/75/92/79/617759279.db2.gz CZMBLLSVTBUAFI-YVMONPNESA-N 0 1 294.310 2.945 20 30 CFEDMN O=C(/C=C\c1cc(F)c(O)c(F)c1)c1cc(O)cc(O)c1 ZINC000255034947 617770680 /nfs/dbraw/zinc/77/06/80/617770680.db2.gz OJRXOPUMXGZZBM-UPHRSURJSA-N 0 1 292.237 2.978 20 30 CFEDMN C[C@H](CC#N)N(C)C[C@H]1C[C@@H](NC(=O)OC(C)(C)C)C1 ZINC000891933732 617835116 /nfs/dbraw/zinc/83/51/16/617835116.db2.gz MOQWLJCRWPUKFL-UPJWGTAASA-N 0 1 281.400 2.524 20 30 CFEDMN C[C@@H](N[C@H]1CCc2cc(C#N)ccc21)c1ccnnc1 ZINC000926318159 617893992 /nfs/dbraw/zinc/89/39/92/617893992.db2.gz UZFORJQYWQEKAR-BZNIZROVSA-N 0 1 264.332 2.686 20 30 CFEDMN CCc1onc(C)c1C=NNc1nc2ccccc2n1C ZINC000901169552 620760839 /nfs/dbraw/zinc/76/08/39/620760839.db2.gz GEPGJVGDQSLSMX-UHFFFAOYSA-N 0 1 283.335 2.878 20 30 CFEDMN C=CCCCN(CC)C(=O)c1ccc(-c2nnc[nH]2)cc1 ZINC000890812446 617910187 /nfs/dbraw/zinc/91/01/87/617910187.db2.gz KUAKLAGNWTVDAL-UHFFFAOYSA-N 0 1 284.363 2.900 20 30 CFEDMN C#CCOc1ccccc1CNCc1ccc([N+](=O)[O-])cc1 ZINC000077220981 617989760 /nfs/dbraw/zinc/98/97/60/617989760.db2.gz JSNYRSUHAFYOHD-UHFFFAOYSA-N 0 1 296.326 2.897 20 30 CFEDMN C=CC[C@H]1CCN1C[C@H](O)c1ccc(F)c(F)c1 ZINC000934471565 618045731 /nfs/dbraw/zinc/04/57/31/618045731.db2.gz UTNBJWIEFRIAMV-FZMZJTMJSA-N 0 1 253.292 2.649 20 30 CFEDMN C=CC[C@H]1CCN1CC(=O)N(Cc1ccccc1)C1CC1 ZINC000934470247 618046269 /nfs/dbraw/zinc/04/62/69/618046269.db2.gz MFCBYBOOYACRBL-INIZCTEOSA-N 0 1 284.403 2.828 20 30 CFEDMN C=CC[C@@H]1CC[N@@H+]1CCOc1ccccc1C(C)=O ZINC000934470403 618046422 /nfs/dbraw/zinc/04/64/22/618046422.db2.gz DECKURBKYSRSMU-CQSZACIVSA-N 0 1 259.349 2.918 20 30 CFEDMN C=CC[C@@H]1CCN1CCOc1ccccc1C(C)=O ZINC000934470403 618046425 /nfs/dbraw/zinc/04/64/25/618046425.db2.gz DECKURBKYSRSMU-CQSZACIVSA-N 0 1 259.349 2.918 20 30 CFEDMN C[C@@]1(C2CC2)COCCN1Cc1ccc(CC#N)cc1 ZINC000934479143 618050416 /nfs/dbraw/zinc/05/04/16/618050416.db2.gz PQSWHASNVGRYCE-KRWDZBQOSA-N 0 1 270.376 2.754 20 30 CFEDMN COCc1cccc(CN=Nc2ccc(OC)cn2)c1 ZINC000780275435 618086714 /nfs/dbraw/zinc/08/67/14/618086714.db2.gz WVCMAIANUSRMGQ-UHFFFAOYSA-N 0 1 271.320 2.683 20 30 CFEDMN C[C@@H]1CCC[C@](C#N)(NC(=O)c2cccc(F)c2O)C1 ZINC000933016634 618141269 /nfs/dbraw/zinc/14/12/69/618141269.db2.gz LTIJFCYFYVXWBW-BMIGLBTASA-N 0 1 276.311 2.734 20 30 CFEDMN COC(=O)[C@@H](C)/N=C\c1cc(Cl)cc(Cl)c1O ZINC000255305706 618184650 /nfs/dbraw/zinc/18/46/50/618184650.db2.gz BNFZTKJOSZTKDG-SPVAGPGUSA-N 0 1 276.119 2.679 20 30 CFEDMN CC(=O)Nc1ccc(/C=C\C(=O)c2ccc(O)cc2O)cc1 ZINC000255320536 618196803 /nfs/dbraw/zinc/19/68/03/618196803.db2.gz OOJSSEDJBRVSED-WTKPLQERSA-N 0 1 297.310 2.952 20 30 CFEDMN C=C1CCC(C(=O)NC[C@H]2CCCN(CCF)C2)CC1 ZINC001023573247 618200634 /nfs/dbraw/zinc/20/06/34/618200634.db2.gz WJHWNVDVPVUBJY-CQSZACIVSA-N 0 1 282.403 2.531 20 30 CFEDMN Cc1ccccc1CC(=O)Nc1cc(C#N)ccc1O ZINC000176821387 618205723 /nfs/dbraw/zinc/20/57/23/618205723.db2.gz DKQIETVYABKHNE-UHFFFAOYSA-N 0 1 266.300 2.754 20 30 CFEDMN COc1cccc(C(=O)Nc2cc(C#N)ccc2O)c1OC ZINC000176819801 618205818 /nfs/dbraw/zinc/20/58/18/618205818.db2.gz GDMJWEIPZMLARA-UHFFFAOYSA-N 0 1 298.298 2.533 20 30 CFEDMN C=C(Br)CNC1([C@@H]2CCCCO2)CC1 ZINC000933377369 618214465 /nfs/dbraw/zinc/21/44/65/618214465.db2.gz IGOKKUXAAQSLQW-JTQLQIEISA-N 0 1 260.175 2.586 20 30 CFEDMN C(#Cc1ccccc1)CNC1([C@@H]2CCCCO2)CC1 ZINC000933376313 618215045 /nfs/dbraw/zinc/21/50/45/618215045.db2.gz QZNLMRUDGGHCJC-INIZCTEOSA-N 0 1 255.361 2.729 20 30 CFEDMN C#C[C@H](NCc1ccc(Cl)cc1C)[C@H]1CCCO1 ZINC000775339954 618252565 /nfs/dbraw/zinc/25/25/65/618252565.db2.gz DYQBOZAXWPRUAK-LSDHHAIUSA-N 0 1 263.768 2.919 20 30 CFEDMN C#CCN(CCO[C@H]1CCCCO1)Cc1ccc(F)cc1 ZINC000181662776 618268871 /nfs/dbraw/zinc/26/88/71/618268871.db2.gz JDXGACRKPFLYIG-KRWDZBQOSA-N 0 1 291.366 2.804 20 30 CFEDMN C#C[C@H](N[C@@H](C)c1sccc1OC)[C@@H]1CCCO1 ZINC000775572271 618279223 /nfs/dbraw/zinc/27/92/23/618279223.db2.gz QLVKLXMDTDVOHR-SRVKXCTJSA-N 0 1 265.378 2.588 20 30 CFEDMN Cc1cc(F)c(C#N)c(NCc2n[nH]c(C(C)C)n2)c1 ZINC000894030347 618282257 /nfs/dbraw/zinc/28/22/57/618282257.db2.gz RLMNYQLHGKZFPS-UHFFFAOYSA-N 0 1 273.315 2.859 20 30 CFEDMN CCc1onc(C)c1CNCc1ccc(CC#N)cc1 ZINC000895091068 618283468 /nfs/dbraw/zinc/28/34/68/618283468.db2.gz SNGOGYBSWBPWGN-UHFFFAOYSA-N 0 1 269.348 2.901 20 30 CFEDMN C[C@H]1CN(Cc2ccccc2CF)C[C@H](C)N1CC#N ZINC000930828624 618288324 /nfs/dbraw/zinc/28/83/24/618288324.db2.gz LUKDQXWDPPBUQH-KBPBESRZSA-N 0 1 275.371 2.574 20 30 CFEDMN CC#CCN1CCCC[C@H]1CNC(=O)c1ccccc1C ZINC001024306961 618289921 /nfs/dbraw/zinc/28/99/21/618289921.db2.gz IWUWCMPQNLFIOD-INIZCTEOSA-N 0 1 284.403 2.603 20 30 CFEDMN C=CC[N@@H+]1CCCC[C@@H]1CNC(=O)c1cccc(F)c1 ZINC001024308740 618291578 /nfs/dbraw/zinc/29/15/78/618291578.db2.gz OPUBCMRMPPTIPD-OAHLLOKOSA-N 0 1 276.355 2.596 20 30 CFEDMN C=CCN1CCCC[C@@H]1CNC(=O)c1cccc(F)c1 ZINC001024308740 618291583 /nfs/dbraw/zinc/29/15/83/618291583.db2.gz OPUBCMRMPPTIPD-OAHLLOKOSA-N 0 1 276.355 2.596 20 30 CFEDMN C=C(C)CN1CCCC[C@H]1CNC(=O)c1cc(C)sn1 ZINC001024413364 618312665 /nfs/dbraw/zinc/31/26/65/618312665.db2.gz ZZPAUVSQJSRCGM-ZDUSSCGKSA-N 0 1 293.436 2.612 20 30 CFEDMN C#CCCN1CCCC[C@H]1CNC(=O)c1cc(C)cs1 ZINC001024430250 618313554 /nfs/dbraw/zinc/31/35/54/618313554.db2.gz WJYWXUDDAHYSHV-AWEZNQCLSA-N 0 1 290.432 2.664 20 30 CFEDMN C=C[C@@H]1CCCCN1Cc1ccc(OCCOC)o1 ZINC000894091075 618319139 /nfs/dbraw/zinc/31/91/39/618319139.db2.gz PUQPMUCHBURRDF-CYBMUJFWSA-N 0 1 265.353 2.845 20 30 CFEDMN Cc1cc(C(C#N)C(=O)[C@H]2CCOC3(CCC3)C2)nc(C)n1 ZINC000892477354 618339588 /nfs/dbraw/zinc/33/95/88/618339588.db2.gz VOWGPINQRGXNBE-KBPBESRZSA-N 0 1 299.374 2.619 20 30 CFEDMN C=C(C)CN1CCC[C@H](NC(=O)[C@@]23C[C@@H]2CCCC3)C1 ZINC001008435186 618351241 /nfs/dbraw/zinc/35/12/41/618351241.db2.gz ZJTWNUWPWGBIBI-ZOBUZTSGSA-N 0 1 276.424 2.723 20 30 CFEDMN C=C1CC(C)(C(=O)N[C@@H]2CCCN(CC=C(C)C)C2)C1 ZINC001008436653 618352901 /nfs/dbraw/zinc/35/29/01/618352901.db2.gz GMEURABGCNORFM-OAHLLOKOSA-N 0 1 276.424 2.890 20 30 CFEDMN C=CCN1CCCC[C@@H]1CNC(=O)c1ccc(C)c(F)c1 ZINC001024541341 618354957 /nfs/dbraw/zinc/35/49/57/618354957.db2.gz IVNGSUWWBLQZBE-OAHLLOKOSA-N 0 1 290.382 2.904 20 30 CFEDMN Cc1coc(CN(C)C[C@H](O)c2cccc(C#N)c2)c1 ZINC000895133133 618357149 /nfs/dbraw/zinc/35/71/49/618357149.db2.gz DEDQEQLKCWRIMJ-INIZCTEOSA-N 0 1 270.332 2.625 20 30 CFEDMN CC#CCN1CCCC[C@H]1CNC(=O)[C@@H]1C[C@H]1C(C)(C)C ZINC001024550881 618363949 /nfs/dbraw/zinc/36/39/49/618363949.db2.gz ODWGQIBUVAMTRX-ARFHVFGLSA-N 0 1 290.451 2.663 20 30 CFEDMN C=CC[N@@H+]1CCCC[C@@H]1CNC(=O)c1cc(C(C)C)on1 ZINC001024580767 618393335 /nfs/dbraw/zinc/39/33/35/618393335.db2.gz YZTOGHHWVCVIAY-CYBMUJFWSA-N 0 1 291.395 2.568 20 30 CFEDMN C=CCN1CCCC[C@@H]1CNC(=O)c1cc(C(C)C)on1 ZINC001024580767 618393344 /nfs/dbraw/zinc/39/33/44/618393344.db2.gz YZTOGHHWVCVIAY-CYBMUJFWSA-N 0 1 291.395 2.568 20 30 CFEDMN C=CC(C)(C)CC(=O)N(C)[C@@H](c1nnc[nH]1)c1ccccc1 ZINC000909474572 618394544 /nfs/dbraw/zinc/39/45/44/618394544.db2.gz GJGZIBJNCQKQAB-OAHLLOKOSA-N 0 1 298.390 2.955 20 30 CFEDMN C#C[C@H](CC)NCc1cc(OC)c(O)cc1Cl ZINC000877513151 618403619 /nfs/dbraw/zinc/40/36/19/618403619.db2.gz MGSYKNQEYWDAED-SNVBAGLBSA-N 0 1 253.729 2.556 20 30 CFEDMN C#CCCCCC(=O)N(C)[C@@H](c1nnc[nH]1)c1ccccc1 ZINC000909479114 618404597 /nfs/dbraw/zinc/40/45/97/618404597.db2.gz LVQCATISTWUCGN-MRXNPFEDSA-N 0 1 296.374 2.546 20 30 CFEDMN C[C@@]1(C(F)F)CN(CC2CCC(C#N)CC2)CCO1 ZINC000931080192 618405517 /nfs/dbraw/zinc/40/55/17/618405517.db2.gz QTOVYUSWJFCGDA-YIZWMMSDSA-N 0 1 272.339 2.672 20 30 CFEDMN Oc1c(F)cc(C=NNCCC(F)(F)F)cc1F ZINC000794547194 618412477 /nfs/dbraw/zinc/41/24/77/618412477.db2.gz FWCGRDKMMZGFGX-UHFFFAOYSA-N 0 1 268.185 2.546 20 30 CFEDMN CC(C)(C)c1ccc(CN[C@@H]2CCCN(O)C2=O)s1 ZINC000895164190 618414283 /nfs/dbraw/zinc/41/42/83/618414283.db2.gz DWQNOYUJQWXHIX-LLVKDONJSA-N 0 1 282.409 2.515 20 30 CFEDMN C#CCN1CCCC[C@H]1CNC(=O)c1ccc(CCC)cc1 ZINC001024626335 618425552 /nfs/dbraw/zinc/42/55/52/618425552.db2.gz YZFMENCCMNOKBH-SFHVURJKSA-N 0 1 298.430 2.857 20 30 CFEDMN C#CCCN1CCCC[C@H]1CNC(=O)c1occc1Cl ZINC001024636738 618428969 /nfs/dbraw/zinc/42/89/69/618428969.db2.gz WWCGTQAVRXSPAO-LBPRGKRZSA-N 0 1 294.782 2.541 20 30 CFEDMN CC#CCN1CCCC[C@@H]1CNC(=O)c1c(C)cccc1C ZINC001024672642 618438353 /nfs/dbraw/zinc/43/83/53/618438353.db2.gz BGMVTHNTPKPFJK-QGZVFWFLSA-N 0 1 298.430 2.911 20 30 CFEDMN C=CCN1CCCC[C@H]1CNC(=O)c1ccc2cc[nH]c2c1 ZINC001024681091 618441643 /nfs/dbraw/zinc/44/16/43/618441643.db2.gz NLRFRWHGOQFBFX-INIZCTEOSA-N 0 1 297.402 2.938 20 30 CFEDMN C=CCN1CCCC[C@@H]1CNC(=O)[C@H]1CC[C@H](C)CC1 ZINC001024766368 618464795 /nfs/dbraw/zinc/46/47/95/618464795.db2.gz QKRTXLCJYCHJRI-BZUAXINKSA-N 0 1 278.440 2.969 20 30 CFEDMN CC#CCN1CCCC[C@@H]1CNC(=O)c1ccc(C)cc1C ZINC001024785719 618469593 /nfs/dbraw/zinc/46/95/93/618469593.db2.gz NZVWBYQUCWKXEK-QGZVFWFLSA-N 0 1 298.430 2.911 20 30 CFEDMN C=CCN1CCCC[C@@H]1CNC(=O)c1ccc(C(F)F)o1 ZINC001024781466 618470235 /nfs/dbraw/zinc/47/02/35/618470235.db2.gz UVWCJTIKZXYEFJ-LLVKDONJSA-N 0 1 298.333 2.988 20 30 CFEDMN C#CC[N@@H+]1CCCC[C@@H]1CNC(=O)c1ccc(C)c(C)c1 ZINC001024789144 618471810 /nfs/dbraw/zinc/47/18/10/618471810.db2.gz TXVPPWHOPMSZLI-QGZVFWFLSA-N 0 1 284.403 2.521 20 30 CFEDMN C#CCN1CCCC[C@@H]1CNC(=O)c1ccc(C)c(C)c1 ZINC001024789144 618471814 /nfs/dbraw/zinc/47/18/14/618471814.db2.gz TXVPPWHOPMSZLI-QGZVFWFLSA-N 0 1 284.403 2.521 20 30 CFEDMN Cc1ccc(N=NCc2cccc3c2OCO3)nc1 ZINC000727259719 618475468 /nfs/dbraw/zinc/47/54/68/618475468.db2.gz LLQLMYLBXCNKRX-UHFFFAOYSA-N 0 1 255.277 2.565 20 30 CFEDMN CCOc1cc(CN=Nc2cncnc2)cc(Cl)c1O ZINC000794976125 618499586 /nfs/dbraw/zinc/49/95/86/618499586.db2.gz FAMMFXMUSAMEBZ-UHFFFAOYSA-N 0 1 292.726 2.680 20 30 CFEDMN Brc1cccc(C=NNc2cncnc2)c1 ZINC000794976722 618500735 /nfs/dbraw/zinc/50/07/35/618500735.db2.gz RFLYYGOIJLXTQK-UHFFFAOYSA-N 0 1 277.125 2.685 20 30 CFEDMN CC1=NO[C@H](CNCc2cccc(OCCCC#N)c2)C1 ZINC000895311768 618526913 /nfs/dbraw/zinc/52/69/13/618526913.db2.gz RBCFXQKNTGCTEL-INIZCTEOSA-N 0 1 287.363 2.624 20 30 CFEDMN CCOc1ccc(C=NNc2cccc(F)n2)c(O)c1 ZINC000795008817 618532507 /nfs/dbraw/zinc/53/25/07/618532507.db2.gz OCXNZBLCMYWTFN-UHFFFAOYSA-N 0 1 275.283 2.771 20 30 CFEDMN C#CC1(O)CCN(Cc2cnc(-c3ccccc3)s2)CC1 ZINC000895383586 618561301 /nfs/dbraw/zinc/56/13/01/618561301.db2.gz YCXZGBKANZAOMM-UHFFFAOYSA-N 0 1 298.411 2.770 20 30 CFEDMN Cc1ncoc1CNC1(c2ccc(C#N)cc2)CCOCC1 ZINC000895404676 618574906 /nfs/dbraw/zinc/57/49/06/618574906.db2.gz GNHCZTYMLYWKMO-UHFFFAOYSA-N 0 1 297.358 2.650 20 30 CFEDMN N#CC(C(=O)CCF)c1nc2ccccc2n1C(F)F ZINC000892538980 618620866 /nfs/dbraw/zinc/62/08/66/618620866.db2.gz QUIRYQKUHBDFHA-MRVPVSSYSA-N 0 1 281.237 2.967 20 30 CFEDMN Cc1nn(C)c(C)c1C(=O)/C=C\c1cc(F)c(O)c(F)c1 ZINC000255893015 618637972 /nfs/dbraw/zinc/63/79/72/618637972.db2.gz CFRHDGPBBVLZDW-PLNGDYQASA-N 0 1 292.285 2.917 20 30 CFEDMN C[C@@H]1CN(Cc2ccc(OCC#N)cc2)[C@H](C)[C@H](C)O1 ZINC000782624344 618649078 /nfs/dbraw/zinc/64/90/78/618649078.db2.gz UYNVAYYONUACEV-MCIONIFRSA-N 0 1 274.364 2.587 20 30 CFEDMN N#Cc1ccc2ncc(/C=C\C(=O)c3ccccc3O)n2c1 ZINC000255911395 618661116 /nfs/dbraw/zinc/66/11/16/618661116.db2.gz NSTDPPPMCNRWIB-SREVYHEPSA-N 0 1 289.294 2.808 20 30 CFEDMN COc1cc(C=NNCCC(C)(C)C)cc([N+](=O)[O-])c1O ZINC000782907641 618663903 /nfs/dbraw/zinc/66/39/03/618663903.db2.gz LOSJVLYVCHRQSR-UHFFFAOYSA-N 0 1 295.339 2.669 20 30 CFEDMN C#CCCCCC(=O)C(C#N)C(=O)Nc1ccccc1OC ZINC000180738326 618671501 /nfs/dbraw/zinc/67/15/01/618671501.db2.gz LFHJFJKHMAGJJD-ZDUSSCGKSA-N 0 1 298.342 2.536 20 30 CFEDMN CC(C)(C#N)CCCOC(=O)[C@H]1CCCc2[nH]ncc21 ZINC000784121679 618743865 /nfs/dbraw/zinc/74/38/65/618743865.db2.gz JRMDBDRVBXLRHY-NSHDSACASA-N 0 1 275.352 2.703 20 30 CFEDMN CC1(C)[C@H](O)CCN1Cc1cc(Cl)cc(C#N)c1 ZINC000930530505 618856787 /nfs/dbraw/zinc/85/67/87/618856787.db2.gz SZZBYVGXZKTVRG-CYBMUJFWSA-N 0 1 264.756 2.557 20 30 CFEDMN COc1ccc(CNCc2cnc(F)cc2C)cc1C#N ZINC000893195316 618877849 /nfs/dbraw/zinc/87/78/49/618877849.db2.gz XSMNNRIQHVIOTA-UHFFFAOYSA-N 0 1 285.322 2.699 20 30 CFEDMN O=C(/C=C/c1ccc2c(c1)NC(=O)CO2)c1ccccc1O ZINC000195306549 618949983 /nfs/dbraw/zinc/94/99/83/618949983.db2.gz CDNSYVHNHRKCMZ-FNORWQNLSA-N 0 1 295.294 2.619 20 30 CFEDMN C[C@@H](c1ccc(C#N)cc1)N1CCc2sc(CN)nc2C1 ZINC000925749253 619053709 /nfs/dbraw/zinc/05/37/09/619053709.db2.gz WHBHTZSMFFMFES-NSHDSACASA-N 0 1 298.415 2.593 20 30 CFEDMN C[C@@H](C#N)CNCCc1cccc(OC(F)(F)F)c1 ZINC000893542992 619054593 /nfs/dbraw/zinc/05/45/93/619054593.db2.gz OWTXGZJDLZDJLW-JTQLQIEISA-N 0 1 272.270 2.877 20 30 CFEDMN N#Cc1cc(CN2CCSC3(CCOCC3)C2)cs1 ZINC000893660151 619147894 /nfs/dbraw/zinc/14/78/94/619147894.db2.gz VXYSWTWWPGKXPW-UHFFFAOYSA-N 0 1 294.445 2.718 20 30 CFEDMN C[C@@H](NC[C@]1(C(F)(F)F)CCCN1)c1ccc(C#N)cc1 ZINC000925857652 619185667 /nfs/dbraw/zinc/18/56/67/619185667.db2.gz VLCGPGVRHWBVEM-RISCZKNCSA-N 0 1 297.324 2.893 20 30 CFEDMN C=CCCCN(CC)C(=O)N[C@H]1CCCc2cn[nH]c21 ZINC000893733798 619214717 /nfs/dbraw/zinc/21/47/17/619214717.db2.gz AJAPBWSYERAGIR-ZDUSSCGKSA-N 0 1 276.384 2.785 20 30 CFEDMN CC(C)(C)c1cnc(C=NNCCN2CCCCC2)s1 ZINC000814808031 619259811 /nfs/dbraw/zinc/25/98/11/619259811.db2.gz AATGLYHGUHBHKA-UHFFFAOYSA-N 0 1 294.468 2.850 20 30 CFEDMN CC(=NN[C@@H](C)c1ccccc1)c1ccc(N)nc1 ZINC000814814990 619261141 /nfs/dbraw/zinc/26/11/41/619261141.db2.gz IFLVBBZZRUFADO-NSHDSACASA-N 0 1 254.337 2.739 20 30 CFEDMN COc1cc(CNCc2ccc(O[C@H](C)C#N)cc2)ccn1 ZINC000237105712 619263086 /nfs/dbraw/zinc/26/30/86/619263086.db2.gz CHDKOHWPRBHHGB-CYBMUJFWSA-N 0 1 297.358 2.671 20 30 CFEDMN N#C[C@H]1CCCN(C(=O)c2cccc(C(F)(F)F)c2O)C1 ZINC000928218217 619323372 /nfs/dbraw/zinc/32/33/72/619323372.db2.gz ZCWSRPCDTVOPDS-SECBINFHSA-N 0 1 298.264 2.787 20 30 CFEDMN C[C@H](CC(C)(C)C#N)NCC(=O)Nc1cccc(F)c1 ZINC000894501861 619405451 /nfs/dbraw/zinc/40/54/51/619405451.db2.gz IHOHUXGKJJRHOI-LLVKDONJSA-N 0 1 277.343 2.682 20 30 CFEDMN CC(C)(CCC#N)CNCc1nnc(C2CC2)s1 ZINC000894513747 619406449 /nfs/dbraw/zinc/40/64/49/619406449.db2.gz BIAOFYOKNNFAJI-UHFFFAOYSA-N 0 1 264.398 2.835 20 30 CFEDMN C#C[C@@H](NC1CCS(=O)CC1)c1ccc(Cl)cc1 ZINC000894553638 619418139 /nfs/dbraw/zinc/41/81/39/619418139.db2.gz RWANOLLJJJSJKK-TXKKKEFDSA-N 0 1 281.808 2.515 20 30 CFEDMN C#C[C@H](N[C@H]1COC2(CCC2)C1)c1ccc(F)cc1 ZINC000894574353 619421731 /nfs/dbraw/zinc/42/17/31/619421731.db2.gz DGLNORKRPREBAK-CABCVRRESA-N 0 1 259.324 2.801 20 30 CFEDMN C#Cc1cccc(CNCc2cnn(C)c2C2CC2)c1 ZINC000894774956 619461387 /nfs/dbraw/zinc/46/13/87/619461387.db2.gz AVSSYHUDPAOTKP-UHFFFAOYSA-N 0 1 265.360 2.569 20 30 CFEDMN C[C@@H](C#N)OCCN(C)Cc1ccc(Cl)s1 ZINC000304274005 619476935 /nfs/dbraw/zinc/47/69/35/619476935.db2.gz WDPJKCIOCMJRGH-VIFPVBQESA-N 0 1 258.774 2.762 20 30 CFEDMN C#C[C@H](N[C@@H]1CCCOC1)c1ccc(Br)cc1 ZINC000894870792 619492796 /nfs/dbraw/zinc/49/27/96/619492796.db2.gz PKRPSVZMNSBLQD-KGLIPLIRSA-N 0 1 294.192 2.892 20 30 CFEDMN C=C(C)C[C@@H](NCc1cc(F)cc(F)c1O)C(=O)OCC ZINC000895591949 619565359 /nfs/dbraw/zinc/56/53/59/619565359.db2.gz IVAGJECUGZRWHY-CYBMUJFWSA-N 0 1 299.317 2.658 20 30 CFEDMN C#CCC1(O)CCN(C/C=C\c2ccc(F)cc2F)CC1 ZINC000895669700 619582478 /nfs/dbraw/zinc/58/24/78/619582478.db2.gz ITXCXIJMXMZDQW-ARJAWSKDSA-N 0 1 291.341 2.828 20 30 CFEDMN C[C@H]1[C@@H](Nc2ncc(C#N)c3ccsc32)CC[N@H+]1C ZINC000895736502 619597516 /nfs/dbraw/zinc/59/75/16/619597516.db2.gz JUILDARGBQQIOJ-CABZTGNLSA-N 0 1 272.377 2.672 20 30 CFEDMN COC(=O)c1oc(CN[C@@H](C)CC(C)(C)C#N)cc1C ZINC000895761350 619601515 /nfs/dbraw/zinc/60/15/15/619601515.db2.gz XOYDEXYWPFXMEQ-NSHDSACASA-N 0 1 278.352 2.793 20 30 CFEDMN Cc1c(C#N)c(NC[C@H]2CCN2C)nc2ccccc12 ZINC000895768560 619602977 /nfs/dbraw/zinc/60/29/77/619602977.db2.gz FOCAHQZNSDAZMH-GFCCVEGCSA-N 0 1 266.348 2.531 20 30 CFEDMN C#CCN1CCC(Nc2ccc3ccccc3n2)CC1 ZINC000895804387 619611934 /nfs/dbraw/zinc/61/19/34/619611934.db2.gz QPBZZYQBGZKSIT-UHFFFAOYSA-N 0 1 265.360 2.744 20 30 CFEDMN C#CCN1CCC(Nc2ccc3cc(C#N)ccc3n2)CC1 ZINC000895808123 619612406 /nfs/dbraw/zinc/61/24/06/619612406.db2.gz AHYWEIGYTVVZQP-UHFFFAOYSA-N 0 1 290.370 2.616 20 30 CFEDMN C=CCC1(O)CCN(Cc2cc(OC)ccc2F)CC1 ZINC000895833956 619619793 /nfs/dbraw/zinc/61/97/93/619619793.db2.gz GOMSMRCFQAPPPD-UHFFFAOYSA-N 0 1 279.355 2.737 20 30 CFEDMN C=CC(C)(C)NC(=O)NC[C@@H]1CCN1Cc1ccccc1 ZINC000895897996 619629612 /nfs/dbraw/zinc/62/96/12/619629612.db2.gz YHQMYMQCDUFKMS-HNNXBMFYSA-N 0 1 287.407 2.525 20 30 CFEDMN C=CCCONC(=O)C(C)(C)c1cccc(OC)c1 ZINC000869282518 619893699 /nfs/dbraw/zinc/89/36/99/619893699.db2.gz MLNQYAMGEIBHPW-UHFFFAOYSA-N 0 1 263.337 2.597 20 30 CFEDMN CO[C@@H]1COC[C@@H]1/N=C\c1cc(Cl)cc(Cl)c1O ZINC000840711039 619925436 /nfs/dbraw/zinc/92/54/36/619925436.db2.gz OHSGNURGVHHREV-RSBZQFRRSA-N 0 1 290.146 2.532 20 30 CFEDMN C#CCN1CCC(NC(=O)c2c(C)oc3ccccc32)CC1 ZINC000928653871 619936102 /nfs/dbraw/zinc/93/61/02/619936102.db2.gz DHKNEQQXHVKLQV-UHFFFAOYSA-N 0 1 296.370 2.569 20 30 CFEDMN CC#CCN(C)Cc1c[nH]nc1-c1ccc(OC)cc1 ZINC000897167028 619942281 /nfs/dbraw/zinc/94/22/81/619942281.db2.gz VWBIVEHGNDXKFE-UHFFFAOYSA-N 0 1 269.348 2.540 20 30 CFEDMN C=C(Cl)CN(C)C1CCN(C(=O)[C@@H](C)CC)CC1 ZINC000985277449 619942869 /nfs/dbraw/zinc/94/28/69/619942869.db2.gz PMBJTUDAVQROIW-NSHDSACASA-N 0 1 272.820 2.708 20 30 CFEDMN C#CCC1([NH2+]Cc2ncc(Br)cc2[O-])CCC1 ZINC000897350802 620013575 /nfs/dbraw/zinc/01/35/75/620013575.db2.gz LRVWAUGRQQPMBY-UHFFFAOYSA-N 0 1 295.180 2.585 20 30 CFEDMN C=C(Cl)CN[C@@H]1CCN(C(=O)/C=C\c2ccco2)[C@H]1C ZINC000985885408 620048614 /nfs/dbraw/zinc/04/86/14/620048614.db2.gz AUSCQICHUMEXGI-KIZSPLDGSA-N 0 1 294.782 2.624 20 30 CFEDMN C=C(Cl)CN[C@H]1CCN(C(=O)C2CC(C)(C)C2)[C@@H]1C ZINC000986230708 620076766 /nfs/dbraw/zinc/07/67/66/620076766.db2.gz ODAQMWPPDDFZBD-YPMHNXCESA-N 0 1 284.831 2.754 20 30 CFEDMN C=C(Cl)CN[C@H]1CCN(C(=O)C2CC(C)(C)C2)[C@H]1C ZINC000986230703 620076848 /nfs/dbraw/zinc/07/68/48/620076848.db2.gz ODAQMWPPDDFZBD-AAEUAGOBSA-N 0 1 284.831 2.754 20 30 CFEDMN C=C(Cl)CN[C@H]1CCN(C(=O)c2cc(C)co2)[C@@H]1C ZINC000986654896 620096152 /nfs/dbraw/zinc/09/61/52/620096152.db2.gz DUVISXDIJNEIQU-NEPJUHHUSA-N 0 1 282.771 2.533 20 30 CFEDMN C=C(Br)CN1CCCC[C@@H]1C[C@@H](C)O ZINC000163117617 625395481 /nfs/dbraw/zinc/39/54/81/625395481.db2.gz GMKBWLLXSIAOJC-GHMZBOCLSA-N 0 1 262.191 2.520 20 30 CFEDMN C#CCOc1ccc(CN[C@@H](C)c2ccncc2OC)cc1 ZINC000189572053 620107997 /nfs/dbraw/zinc/10/79/97/620107997.db2.gz FFYRQRUOGJJZSY-AWEZNQCLSA-N 0 1 296.370 2.953 20 30 CFEDMN C#CC[C@@H]1CC[N@@H+](Cc2cc(Br)ccc2[O-])C1 ZINC000862443879 620114489 /nfs/dbraw/zinc/11/44/89/620114489.db2.gz VWQLZHIDDUURAF-LLVKDONJSA-N 0 1 294.192 3.000 20 30 CFEDMN C#CC[C@@H]1CC[N@H+](Cc2cc(Br)ccc2[O-])C1 ZINC000862443879 620114494 /nfs/dbraw/zinc/11/44/94/620114494.db2.gz VWQLZHIDDUURAF-LLVKDONJSA-N 0 1 294.192 3.000 20 30 CFEDMN C=C(Cl)CN[C@H]1C[C@@H](C)N(C(=O)C2CCCC2)C1 ZINC000987733587 620152085 /nfs/dbraw/zinc/15/20/85/620152085.db2.gz ZGEIQMYNLCZFMQ-YPMHNXCESA-N 0 1 270.804 2.508 20 30 CFEDMN C=C(Cl)CN[C@H]1C[C@H](C)N(C(=O)c2ccsc2)C1 ZINC000987924962 620158974 /nfs/dbraw/zinc/15/89/74/620158974.db2.gz BVQQGRRYYRCTSU-JQWIXIFHSA-N 0 1 284.812 2.693 20 30 CFEDMN N#Cc1c(F)cccc1CNC[C@@H]1CC[C@@H](C2CC2)O1 ZINC000897505085 620195515 /nfs/dbraw/zinc/19/55/15/620195515.db2.gz IRFGXYWSTPINCP-BBRMVZONSA-N 0 1 274.339 2.745 20 30 CFEDMN C=C(Cl)CN[C@H]1C[C@@H](C)N(C(=O)C2CC(C)(C)C2)C1 ZINC000988772513 620222885 /nfs/dbraw/zinc/22/28/85/620222885.db2.gz RVNDWSBYAQAUHZ-YPMHNXCESA-N 0 1 284.831 2.754 20 30 CFEDMN C=C(Cl)CN[C@H]1C[C@@H](C)N(C(=O)c2ccc(CC)o2)C1 ZINC000989055811 620230394 /nfs/dbraw/zinc/23/03/94/620230394.db2.gz PLSDSXHZIXPIHH-NEPJUHHUSA-N 0 1 296.798 2.787 20 30 CFEDMN C=C(Cl)CN[C@H]1C[C@H](C)N(C(=O)C2(F)CCCC2)C1 ZINC000989062354 620230759 /nfs/dbraw/zinc/23/07/59/620230759.db2.gz JBRQMHLRBLTEIQ-RYUDHWBXSA-N 0 1 288.794 2.600 20 30 CFEDMN CCC[C@H](CN(C)Cc1cc(C#N)cs1)OC ZINC000897624787 620261837 /nfs/dbraw/zinc/26/18/37/620261837.db2.gz XUEQRFNGZCMZHP-GFCCVEGCSA-N 0 1 252.383 2.867 20 30 CFEDMN C#Cc1ccc(C(=O)N2CCC(c3cn[nH]c3C)CC2)cc1 ZINC000897697303 620272239 /nfs/dbraw/zinc/27/22/39/620272239.db2.gz YYJJJJBLLKGECM-UHFFFAOYSA-N 0 1 293.370 2.719 20 30 CFEDMN C=CCC(C)(C)CNC(=O)[C@@H]1CCN1C(C)(C)C ZINC000897841464 620292218 /nfs/dbraw/zinc/29/22/18/620292218.db2.gz QFJSFXAOVAPJJN-LBPRGKRZSA-N 0 1 252.402 2.578 20 30 CFEDMN C=CCCCN(CC)Cc1ncc(CN(C)C)s1 ZINC000898244367 620356261 /nfs/dbraw/zinc/35/62/61/620356261.db2.gz IDVIHXQJNMJAEI-UHFFFAOYSA-N 0 1 267.442 2.993 20 30 CFEDMN CCCCCCCCC(=O)NC1(C#N)CCN(C)CC1 ZINC000107839827 620382572 /nfs/dbraw/zinc/38/25/72/620382572.db2.gz YEGRBWPSEMDBOA-UHFFFAOYSA-N 0 1 279.428 2.841 20 30 CFEDMN C=CCN1CCCN(C(=O)c2ccc3c(c2)CCC3)CC1 ZINC000989638488 620384721 /nfs/dbraw/zinc/38/47/21/620384721.db2.gz WIBNYHQNHYWNLE-UHFFFAOYSA-N 0 1 284.403 2.509 20 30 CFEDMN C=CCN1CCCN(C(=O)[C@H](C=C)c2ccccc2)CC1 ZINC000989717882 620388121 /nfs/dbraw/zinc/38/81/21/620388121.db2.gz MEPYPMMRLDWLSB-QGZVFWFLSA-N 0 1 284.403 2.677 20 30 CFEDMN C=CCN1CCCN(C(=O)[C@H](C)c2ccccc2C)CC1 ZINC000989719841 620388129 /nfs/dbraw/zinc/38/81/29/620388129.db2.gz MXXHPXGHDCMXKL-MRXNPFEDSA-N 0 1 286.419 2.819 20 30 CFEDMN C=CCN1CCCN(C(=O)[C@@]2(C)CCc3ccccc32)CC1 ZINC000989765725 620389992 /nfs/dbraw/zinc/38/99/92/620389992.db2.gz KQWLGXYTBBUPSM-IBGZPJMESA-N 0 1 298.430 2.611 20 30 CFEDMN C=CCN1CCCN(C(=O)c2c[nH]c3ccc(C)cc32)CC1 ZINC000989752274 620391247 /nfs/dbraw/zinc/39/12/47/620391247.db2.gz HJCVMZSHIMRKCZ-UHFFFAOYSA-N 0 1 297.402 2.810 20 30 CFEDMN C=CCN1CCCN(C(=O)C2C[C@H](C)C[C@@H](C)C2)CC1 ZINC000989754360 620391351 /nfs/dbraw/zinc/39/13/51/620391351.db2.gz IWYCOCJFWIBHCU-HUUCEWRRSA-N 0 1 278.440 2.779 20 30 CFEDMN C=CCN1CC[C@]2(NC(=O)c3ccc(C)s3)CCC[C@H]12 ZINC000989916293 620401746 /nfs/dbraw/zinc/40/17/46/620401746.db2.gz RZEWZMZYLZVVCR-GOEBONIOSA-N 0 1 290.432 2.969 20 30 CFEDMN C=CCN1CC[C@]2(NC(=O)c3cccs3)CCC[C@H]12 ZINC000989924682 620402717 /nfs/dbraw/zinc/40/27/17/620402717.db2.gz BEAGWXPDKURNSD-DZGCQCFKSA-N 0 1 276.405 2.661 20 30 CFEDMN N#Cc1ccc(CNCCOC2CCSCC2)c(F)c1 ZINC000898442990 620465506 /nfs/dbraw/zinc/46/55/06/620465506.db2.gz WVLHZEJHDIYKDM-UHFFFAOYSA-N 0 1 294.395 2.699 20 30 CFEDMN CC(C)(C)N1CC[C@H]1C(=O)NC(C)(C)c1cccc(C#N)c1 ZINC000898587424 620480181 /nfs/dbraw/zinc/48/01/81/620480181.db2.gz NUBSOHUYLOHICI-HNNXBMFYSA-N 0 1 299.418 2.782 20 30 CFEDMN C=CC[C@@H]1CCCC[C@@H]1NC(=O)c1cncc2nc[nH]c21 ZINC000898579717 620480885 /nfs/dbraw/zinc/48/08/85/620480885.db2.gz UVBMKCGDTZREQQ-YPMHNXCESA-N 0 1 284.363 2.823 20 30 CFEDMN O=C(/C=C/c1cnn(CC2CCC2)c1)c1ccc(O)cc1O ZINC000899362119 620553259 /nfs/dbraw/zinc/55/32/59/620553259.db2.gz KPVUNSONBRYICN-QPJJXVBHSA-N 0 1 298.342 2.991 20 30 CFEDMN C=CC[N@@H+](CC(=O)[O-])C[C@@H](C)CCc1ccccc1 ZINC000901586227 620862721 /nfs/dbraw/zinc/86/27/21/620862721.db2.gz LWFZVWIBUDLCFU-AWEZNQCLSA-N 0 1 261.365 2.828 20 30 CFEDMN C=CC[N@@H+](CC(=O)[O-])C[C@@H](C)Cc1ccc(OC)c(F)c1 ZINC000901587525 620862935 /nfs/dbraw/zinc/86/29/35/620862935.db2.gz ZJSJUGNVHRDMAM-LBPRGKRZSA-N 0 1 295.354 2.586 20 30 CFEDMN C=CCOc1cccc(C[N@@H+]2CCC[C@@](C)(C(=O)[O-])C2)c1 ZINC000901698560 620897721 /nfs/dbraw/zinc/89/77/21/620897721.db2.gz HXERXNPTQYYMRO-QGZVFWFLSA-N 0 1 289.375 2.938 20 30 CFEDMN C=CCOc1ccc(C[N@@H+]2CC[C@@H](C)C[C@@H]2C(=O)[O-])cc1 ZINC000902014842 620958763 /nfs/dbraw/zinc/95/87/63/620958763.db2.gz GZEHJCUVVHZMAL-CZUORRHYSA-N 0 1 289.375 2.937 20 30 CFEDMN C#CCCCCCC[N@@H+]1CCCCC[C@@H]1C(=O)[O-] ZINC000902037425 620961343 /nfs/dbraw/zinc/96/13/43/620961343.db2.gz XVCAYSBZFBDOBO-CQSZACIVSA-N 0 1 251.370 2.899 20 30 CFEDMN C=CCCCN(CC)CN1C[C@H]2CCCCN2C1=O ZINC000902669255 621148406 /nfs/dbraw/zinc/14/84/06/621148406.db2.gz JIWWPWIWCPDLEZ-CQSZACIVSA-N 0 1 265.401 2.522 20 30 CFEDMN C[C@H](NCCOC1CCCC1)c1cc(C#N)ccn1 ZINC000902776094 621171224 /nfs/dbraw/zinc/17/12/24/621171224.db2.gz GCQBQQOVJMRKBO-LBPRGKRZSA-N 0 1 259.353 2.563 20 30 CFEDMN CC[C@@H](NCc1cc(C)ncn1)c1cccc(C#N)c1 ZINC000902888328 621199951 /nfs/dbraw/zinc/19/99/51/621199951.db2.gz SKHLOJXPIPTMFD-MRXNPFEDSA-N 0 1 266.348 2.898 20 30 CFEDMN C#CCN1CCC(NC(=O)Nc2ccc(C)c(C)c2)CC1 ZINC000902943975 621206736 /nfs/dbraw/zinc/20/67/36/621206736.db2.gz AWWYGKQJPCICLO-UHFFFAOYSA-N 0 1 285.391 2.523 20 30 CFEDMN C[C@H](NCC1(C(F)(F)F)CC1)c1cc(C#N)ccn1 ZINC000902988460 621218668 /nfs/dbraw/zinc/21/86/68/621218668.db2.gz UVNUOAZEPJQPOS-VIFPVBQESA-N 0 1 269.270 2.946 20 30 CFEDMN C[C@@H](NCCOCC1CCCC1)c1cc(C#N)ccn1 ZINC000903015267 621221912 /nfs/dbraw/zinc/22/19/12/621221912.db2.gz FBNPGWOQYNZKFW-CYBMUJFWSA-N 0 1 273.380 2.811 20 30 CFEDMN C[C@H](NCC1(C#N)CCC1)c1cccc(-n2ccnn2)c1 ZINC000903035536 621230958 /nfs/dbraw/zinc/23/09/58/621230958.db2.gz QVDYRPYYRVPPLY-ZDUSSCGKSA-N 0 1 281.363 2.612 20 30 CFEDMN C=CCC[C@H](NCc1ncccn1)[C@@]1(C)CCCCO1 ZINC000903054845 621235157 /nfs/dbraw/zinc/23/51/57/621235157.db2.gz RPBMRKUSQZQTSL-GOEBONIOSA-N 0 1 275.396 2.860 20 30 CFEDMN Cc1ccc([C@H](CCn2cncn2)NCC(C)(C)C#N)cc1 ZINC000903100530 621252819 /nfs/dbraw/zinc/25/28/19/621252819.db2.gz RPHKEYDCUBHRNU-INIZCTEOSA-N 0 1 297.406 2.857 20 30 CFEDMN C[C@@H]1CCN(C(=O)OC(C)(C)C)C[C@@H]1NCC1(C#N)CC1 ZINC000903105598 621255053 /nfs/dbraw/zinc/25/50/53/621255053.db2.gz FJQJQGZDINQCPK-OLZOCXBDSA-N 0 1 293.411 2.525 20 30 CFEDMN C[C@@H]1C[N@@H+](Cc2cc(Cl)cc(C#N)c2)CC[C@H]1C(=O)[O-] ZINC000903408153 621363051 /nfs/dbraw/zinc/36/30/51/621363051.db2.gz FCYRPSCEBXAPKB-QMTHXVAHSA-N 0 1 292.766 2.754 20 30 CFEDMN C=CC[N@H+](CC(=O)[O-])C[C@@H]1CCC[C@H](c2ccccc2)O1 ZINC000903595238 621403735 /nfs/dbraw/zinc/40/37/35/621403735.db2.gz CSSGMQHPUWGHBE-JKSUJKDBSA-N 0 1 289.375 2.869 20 30 CFEDMN C[C@@H]1C[C@H](C(=O)[O-])C[N@@H+](CCCCC2(C#N)CCC2)C1 ZINC000903701748 621421900 /nfs/dbraw/zinc/42/19/00/621421900.db2.gz LPWWEIIQTGXVMA-KGLIPLIRSA-N 0 1 278.396 2.893 20 30 CFEDMN CC(C)N1CCC[C@@H]1C(=O)Nc1ccc(F)cc1C#N ZINC000903794788 621439395 /nfs/dbraw/zinc/43/93/95/621439395.db2.gz DWINEFIHLZNMOV-CQSZACIVSA-N 0 1 275.327 2.509 20 30 CFEDMN C=CC[C@@H](C)[N@H+]1CCOc2cc(C(=O)[O-])ccc2C1 ZINC000903958858 621479675 /nfs/dbraw/zinc/47/96/75/621479675.db2.gz PMSGIKAAHPQNTJ-LLVKDONJSA-N 0 1 261.321 2.544 20 30 CFEDMN C=CC(C)(C)CCCNC(=O)[C@@H]1CCCc2[nH]ncc21 ZINC000832721578 625496837 /nfs/dbraw/zinc/49/68/37/625496837.db2.gz MDOFIXMFCNTWNW-GFCCVEGCSA-N 0 1 275.396 2.938 20 30 CFEDMN O=C([C@@H]1CCCN1C1CC1)N(O)Cc1ccccc1Cl ZINC000904190627 621546409 /nfs/dbraw/zinc/54/64/09/621546409.db2.gz OFDOHWAADOPLJV-AWEZNQCLSA-N 0 1 294.782 2.685 20 30 CFEDMN C[C@@H]1[C@H](C(=O)N([O-])CCCCc2ccccc2)CC[N@@H+]1C ZINC000904195806 621547713 /nfs/dbraw/zinc/54/77/13/621547713.db2.gz KZHNHSUPEAPJHH-GDBMZVCRSA-N 0 1 290.407 2.567 20 30 CFEDMN C[C@@H]1[C@H](C(=O)N([O-])CCCCc2ccccc2)CC[N@H+]1C ZINC000904195806 621547719 /nfs/dbraw/zinc/54/77/19/621547719.db2.gz KZHNHSUPEAPJHH-GDBMZVCRSA-N 0 1 290.407 2.567 20 30 CFEDMN CCCCCCN(O)C(=O)[C@@H]1CCCc2[nH]ncc21 ZINC000904204920 621550416 /nfs/dbraw/zinc/55/04/16/621550416.db2.gz VUBBSWHUONLYFB-LLVKDONJSA-N 0 1 265.357 2.628 20 30 CFEDMN N#Cc1sccc1-c1cnc([C@@H]2CCCCN2)nc1 ZINC000904895122 621673641 /nfs/dbraw/zinc/67/36/41/621673641.db2.gz NJDGJIMOZWSINE-LBPRGKRZSA-N 0 1 270.361 2.891 20 30 CFEDMN Cc1cc(/C=C/C(=O)c2cccc(CN(C)C)c2)n(C)n1 ZINC000905078191 621690186 /nfs/dbraw/zinc/69/01/86/621690186.db2.gz NHTKSEBCNSUYNJ-CMDGGOBGSA-N 0 1 283.375 2.686 20 30 CFEDMN Cc1nocc1/C=C/C(=O)c1cccc(CN(C)C)c1 ZINC000905078826 621690375 /nfs/dbraw/zinc/69/03/75/621690375.db2.gz WSNMFXNFZUYUFR-BQYQJAHWSA-N 0 1 270.332 2.941 20 30 CFEDMN CC1/C(=C/c2cnc(C(C)(C)C)s2)C(=O)c2ncnn21 ZINC000905080885 621691012 /nfs/dbraw/zinc/69/10/12/621691012.db2.gz MYXGSWFDEONVOP-VUMIPSPVSA-N 0 1 288.376 2.873 20 30 CFEDMN CC(C)c1ncc(/C=C2\C(=O)c3ncnn3C2C)s1 ZINC000905083054 621691433 /nfs/dbraw/zinc/69/14/33/621691433.db2.gz AWNQBGBHDFJUBS-HDPPJLHVSA-N 0 1 274.349 2.699 20 30 CFEDMN CC(C)c1ncc(/C=C2/C(=O)c3ncnn3C2C)s1 ZINC000905083057 621691585 /nfs/dbraw/zinc/69/15/85/621691585.db2.gz AWNQBGBHDFJUBS-OPWUTIMJSA-N 0 1 274.349 2.699 20 30 CFEDMN CCCn1cc(C(C)=NNc2ccc(F)c(F)c2F)nn1 ZINC000905474491 621773507 /nfs/dbraw/zinc/77/35/07/621773507.db2.gz XXRLGSRONGLJKC-UHFFFAOYSA-N 0 1 297.284 2.942 20 30 CFEDMN C[C@]1(CNC[C@@H](C#N)CCC#N)OCCc2ccccc21 ZINC000905801931 621866973 /nfs/dbraw/zinc/86/69/73/621866973.db2.gz NLZMITRSQMZRIJ-RHSMWYFYSA-N 0 1 283.375 2.508 20 30 CFEDMN N#CC1CCC(Cn2cc([C@@H](N)c3ccccc3)nn2)CC1 ZINC000905815868 621874898 /nfs/dbraw/zinc/87/48/98/621874898.db2.gz LTEXFHFGAUUEMD-KVULBXGLSA-N 0 1 295.390 2.656 20 30 CFEDMN N#Cc1cc(-c2cnc([C@@H]3CCCCN3)nc2)ccc1O ZINC000906170951 621943179 /nfs/dbraw/zinc/94/31/79/621943179.db2.gz PPJFYLLHHMHYGA-AWEZNQCLSA-N 0 1 280.331 2.535 20 30 CFEDMN Cc1cc(C(=O)Nc2nc(C3CCC3)n[nH]2)cc(C)c1C#N ZINC000907367630 622117561 /nfs/dbraw/zinc/11/75/61/622117561.db2.gz GMBRSSIOJLIXRE-UHFFFAOYSA-N 0 1 295.346 2.813 20 30 CFEDMN Cc1cc(C(=O)Nc2n[nH]c(C3CCC3)n2)cc(C)c1C#N ZINC000907367630 622117564 /nfs/dbraw/zinc/11/75/64/622117564.db2.gz GMBRSSIOJLIXRE-UHFFFAOYSA-N 0 1 295.346 2.813 20 30 CFEDMN CN1CCN(C(=O)C2(C#N)CCCC2)CC12CCCCC2 ZINC000908577631 622248213 /nfs/dbraw/zinc/24/82/13/622248213.db2.gz OSSWITMMCROIAT-UHFFFAOYSA-N 0 1 289.423 2.547 20 30 CFEDMN Cc1nc([C@H](C)OC(=O)c2c(C)cc(C#N)cc2C)n[nH]1 ZINC000909801111 622352245 /nfs/dbraw/zinc/35/22/45/622352245.db2.gz FNIAZPLTAMHMFW-JTQLQIEISA-N 0 1 284.319 2.520 20 30 CFEDMN CC(C)n1cncc1C=NNc1nc2ccccc2n1C ZINC000819806277 622560134 /nfs/dbraw/zinc/56/01/34/622560134.db2.gz ODZPEWJWGAKWEC-UHFFFAOYSA-N 0 1 282.351 2.797 20 30 CFEDMN C[C@@H](NN=Cc1ccc2c(c1)CCN2C)c1ccncc1 ZINC000819816247 622563363 /nfs/dbraw/zinc/56/33/63/622563363.db2.gz HVBIFAFFJAMQNI-CYBMUJFWSA-N 0 1 280.375 2.759 20 30 CFEDMN COc1ccc2c(c1)C(N=Nc1ccccn1)CCO2 ZINC000912786500 622775989 /nfs/dbraw/zinc/77/59/89/622775989.db2.gz JZPKNBTVCXGTTG-UHFFFAOYSA-N 0 1 269.304 2.689 20 30 CFEDMN c1cnc(N=NCc2ccc(N3CCCCC3)cc2)cn1 ZINC000912961802 622805393 /nfs/dbraw/zinc/80/53/93/622805393.db2.gz OOXMIBBHMRXBJR-UHFFFAOYSA-N 0 1 281.363 2.913 20 30 CFEDMN Oc1c(Cl)cc(Cl)cc1CN=Nc1ncccn1 ZINC000912974109 622809469 /nfs/dbraw/zinc/80/94/69/622809469.db2.gz LCZKDYPPWLHHRG-UHFFFAOYSA-N 0 1 283.118 2.935 20 30 CFEDMN Cc1nn(C)c2ncc(/C=C/C(=O)c3ccccc3O)cc12 ZINC000156600186 622948683 /nfs/dbraw/zinc/94/86/83/622948683.db2.gz RIBPCQDMAFBPJF-BQYQJAHWSA-N 0 1 293.326 2.878 20 30 CFEDMN COC(=O)c1ccc(/C=C/C(=O)c2ccc(O)cc2O)cc1 ZINC000156638787 622952686 /nfs/dbraw/zinc/95/26/86/622952686.db2.gz BMENTEQKUZWVJZ-RUDMXATFSA-N 0 1 298.294 2.781 20 30 CFEDMN N#Cc1cnc(NC(=O)c2cc(-c3ccccc3)n[nH]2)s1 ZINC000056939477 622993422 /nfs/dbraw/zinc/99/34/22/622993422.db2.gz RREXUFJELNOVKM-UHFFFAOYSA-N 0 1 295.327 2.657 20 30 CFEDMN C=C[C@@H](CC)CC(=O)NC[C@H](c1nc[nH]n1)c1ccccc1 ZINC000821887493 623002887 /nfs/dbraw/zinc/00/28/87/623002887.db2.gz WDKJGVBMEBGLCI-ZFWWWQNUSA-N 0 1 298.390 2.655 20 30 CFEDMN C#C[C@H](CC)NCc1cc2c(cc1OC)C[C@H](C)O2 ZINC000229895293 623231715 /nfs/dbraw/zinc/23/17/15/623231715.db2.gz CQYGIKWGJMUYIS-SMDDNHRTSA-N 0 1 259.349 2.520 20 30 CFEDMN COc1ccccc1NC(=O)C(C#N)C(=O)[C@H](C)C(C)C ZINC000172021143 623253321 /nfs/dbraw/zinc/25/33/21/623253321.db2.gz XHROYOTZJPNHCF-NEPJUHHUSA-N 0 1 288.347 2.635 20 30 CFEDMN N#CCCN(CCCOc1ccc(C#N)cc1)CC1CC1 ZINC000081514672 625639097 /nfs/dbraw/zinc/63/90/97/625639097.db2.gz BCDDAJHGRXFVNF-UHFFFAOYSA-N 0 1 283.375 2.953 20 30 CFEDMN CCCCC[C@@H](C)CC(=O)C(C#N)C(=O)N1CCCC1 ZINC000173935098 623374595 /nfs/dbraw/zinc/37/45/95/623374595.db2.gz GFQIVISBXJVXKQ-KGLIPLIRSA-N 0 1 278.396 2.924 20 30 CFEDMN C=C[C@@H](C)ONC(=O)C1=C(c2ccccc2)SCCO1 ZINC000824232138 623473523 /nfs/dbraw/zinc/47/35/23/623473523.db2.gz FMVOUHKVZLSJDQ-LLVKDONJSA-N 0 1 291.372 2.741 20 30 CFEDMN CC(C)(C)C[C@H]1CCC[N@H+]1Cn1cccc(C#N)c1=O ZINC000758203915 623502236 /nfs/dbraw/zinc/50/22/36/623502236.db2.gz NDVXIUMTECPTSW-CQSZACIVSA-N 0 1 273.380 2.578 20 30 CFEDMN CC(C)(C)C[C@H]1CCCN1Cn1cccc(C#N)c1=O ZINC000758203915 623502238 /nfs/dbraw/zinc/50/22/38/623502238.db2.gz NDVXIUMTECPTSW-CQSZACIVSA-N 0 1 273.380 2.578 20 30 CFEDMN C=CCSc1ccccc1C(=O)NC12CCN(CC1)C2 ZINC000913633174 623539707 /nfs/dbraw/zinc/53/97/07/623539707.db2.gz OGNOHDYWWAMVBY-UHFFFAOYSA-N 0 1 288.416 2.543 20 30 CFEDMN C[C@@]1(CNCc2nc(C#N)cs2)CC1(Cl)Cl ZINC000824772759 623561952 /nfs/dbraw/zinc/56/19/52/623561952.db2.gz HTCRWSVLUZUBAP-VIFPVBQESA-N 0 1 276.192 2.688 20 30 CFEDMN C=CC(C)(C)CNCc1cn(-c2ccccc2)nn1 ZINC000824789466 623566068 /nfs/dbraw/zinc/56/60/68/623566068.db2.gz BWMILQKSYIMNHF-UHFFFAOYSA-N 0 1 256.353 2.569 20 30 CFEDMN COC(=O)C1(C#N)CCN(Cc2ccccc2C2CC2)CC1 ZINC000824866436 623580052 /nfs/dbraw/zinc/58/00/52/623580052.db2.gz BSVRSZDKYAOYRB-UHFFFAOYSA-N 0 1 298.386 2.843 20 30 CFEDMN C=C(Cl)CN[C@H](C)COc1ccc(CCOC)cc1 ZINC000825429967 623691571 /nfs/dbraw/zinc/69/15/71/623691571.db2.gz RZRGBVWCAHAGOJ-CYBMUJFWSA-N 0 1 283.799 2.985 20 30 CFEDMN C#CCSCCNCc1csc(C(C)(C)C)n1 ZINC000152929601 623793465 /nfs/dbraw/zinc/79/34/65/623793465.db2.gz PGHCULZJCUDCLD-UHFFFAOYSA-N 0 1 268.451 2.897 20 30 CFEDMN C=C(C)C[N@@H+]1CCC[C@H](NC(=O)c2ccc(F)cc2)[C@H]1C ZINC000992975677 623824058 /nfs/dbraw/zinc/82/40/58/623824058.db2.gz YHXYTDCGNUCZKE-CJNGLKHVSA-N 0 1 290.382 2.985 20 30 CFEDMN C=C(C)C[N@@H+]1CCC[C@@H](NC(=O)c2ccc(C)o2)[C@H]1C ZINC000993006760 623840225 /nfs/dbraw/zinc/84/02/25/623840225.db2.gz VBOOSHNOVQDBTL-ZIAGYGMSSA-N 0 1 276.380 2.747 20 30 CFEDMN C=C(C)CN1CCC[C@@H](NC(=O)c2ccc(C)o2)[C@H]1C ZINC000993006760 623840236 /nfs/dbraw/zinc/84/02/36/623840236.db2.gz VBOOSHNOVQDBTL-ZIAGYGMSSA-N 0 1 276.380 2.747 20 30 CFEDMN C=C(C)CN1CCC[C@H](NC(=O)c2occc2C)[C@@H]1C ZINC000993036542 623860253 /nfs/dbraw/zinc/86/02/53/623860253.db2.gz KXZGHGXNNSBZOT-KBPBESRZSA-N 0 1 276.380 2.747 20 30 CFEDMN Cc1nc(CC(C)C)sc1C(=O)NC1=NO[C@@H](C)C1 ZINC000763257986 623949032 /nfs/dbraw/zinc/94/90/32/623949032.db2.gz DTXLHMGPAUVPTC-QMMMGPOBSA-N 0 1 281.381 2.502 20 30 CFEDMN C=C(Cl)CN[C@@H]1CN(C(=O)c2ccsc2)CC1(C)C ZINC000995405429 625688815 /nfs/dbraw/zinc/68/88/15/625688815.db2.gz MFMCSUJOHOEIGB-GFCCVEGCSA-N 0 1 298.839 2.941 20 30 CFEDMN C[C@@H]1CN(Cc2ccccc2)CC1=NOC[C@@H]1CCOC1 ZINC000788033655 623964826 /nfs/dbraw/zinc/96/48/26/623964826.db2.gz JZYKOLMCVBVGAB-GDBMZVCRSA-N 0 1 288.391 2.547 20 30 CFEDMN CC#CCN1CCC[C@@H](NC(=O)C2C(C)(C)C2(C)C)[C@@H]1C ZINC000993178974 623982575 /nfs/dbraw/zinc/98/25/75/623982575.db2.gz GMUMSEDPTFDPDY-UONOGXRCSA-N 0 1 290.451 2.661 20 30 CFEDMN C#CCN1CCC(NC(=O)N[C@@H](CC)c2ccccc2)CC1 ZINC000915244802 624005518 /nfs/dbraw/zinc/00/55/18/624005518.db2.gz WVFYFRPKKGKTEI-KRWDZBQOSA-N 0 1 299.418 2.535 20 30 CFEDMN C=C(Cl)CN[C@H]1CN(C(=O)C[C@@H]2C=CCC2)CC1(C)C ZINC000995412286 625691944 /nfs/dbraw/zinc/69/19/44/625691944.db2.gz ASPFHRAPMFPDNI-KGLIPLIRSA-N 0 1 296.842 2.922 20 30 CFEDMN C#CCCCCCCOC(=O)[C@H](C(C)C)N(C)C ZINC000835714661 624025045 /nfs/dbraw/zinc/02/50/45/624025045.db2.gz NQRHIMYKSTWFQD-AWEZNQCLSA-N 0 1 253.386 2.700 20 30 CFEDMN C#C[C@H]([NH2+]Cc1cc(Cl)c(C)cc1[O-])C1CCOCC1 ZINC000827555509 624030030 /nfs/dbraw/zinc/03/00/30/624030030.db2.gz VIVFOTUELWRIPC-HNNXBMFYSA-N 0 1 293.794 2.872 20 30 CFEDMN C#C[C@@H](NCc1ncccc1C(F)(F)F)C1CCOCC1 ZINC000827564793 624033547 /nfs/dbraw/zinc/03/35/47/624033547.db2.gz GHEOBYHHFBUKOD-CYBMUJFWSA-N 0 1 298.308 2.618 20 30 CFEDMN C#C[C@@H](NCc1cccc(Cl)c1F)C1CCOCC1 ZINC000827565543 624033906 /nfs/dbraw/zinc/03/39/06/624033906.db2.gz MNNAAAVATOYGCZ-CQSZACIVSA-N 0 1 281.758 2.997 20 30 CFEDMN CCOC(=O)C/N=C/c1cc(Cl)cc(Cl)c1O ZINC000193676796 624084187 /nfs/dbraw/zinc/08/41/87/624084187.db2.gz PGPLPURVRVSIGT-LHHJGKSTSA-N 0 1 276.119 2.681 20 30 CFEDMN N#CCC[C@@H](NC(=O)C(F)(F)F)c1ccccc1 ZINC000153666233 624085813 /nfs/dbraw/zinc/08/58/13/624085813.db2.gz CNWWAPZDKLAMNQ-SNVBAGLBSA-N 0 1 256.227 2.710 20 30 CFEDMN C=C(C)CN1CC[C@@H](NC(=O)c2ccc3ncccc3c2)C1 ZINC001015647552 624093623 /nfs/dbraw/zinc/09/36/23/624093623.db2.gz GBYJIYJNPBTDFA-MRXNPFEDSA-N 0 1 295.386 2.615 20 30 CFEDMN C=CCN1CCC[C@H](NC(=O)c2ccc(F)c(F)c2)[C@H]1C ZINC000993445130 624145223 /nfs/dbraw/zinc/14/52/23/624145223.db2.gz JZMBKRFQNDWSFU-ABAIWWIYSA-N 0 1 294.345 2.734 20 30 CFEDMN C[C@@H](C#N)Oc1ccc(CN2CCCc3n[nH]cc3C2)cc1 ZINC000828013696 624153221 /nfs/dbraw/zinc/15/32/21/624153221.db2.gz HQOXGLDDUCWRMH-ZDUSSCGKSA-N 0 1 296.374 2.649 20 30 CFEDMN CC#CCN1CCC[C@H](NC(=O)C2(C)CCCC2)[C@@H]1C ZINC000993637386 624155160 /nfs/dbraw/zinc/15/51/60/624155160.db2.gz SFBOBJDHJIVCCV-GJZGRUSLSA-N 0 1 276.424 2.559 20 30 CFEDMN C=CCN1CCC[C@@H](NC(=O)C(C)(C)C2CCC2)[C@@H]1C ZINC000993631521 624156776 /nfs/dbraw/zinc/15/67/76/624156776.db2.gz IMCBONDKUOIQSS-DZGCQCFKSA-N 0 1 278.440 2.968 20 30 CFEDMN C=CCN1CCC[C@H](NC(=O)c2cc[nH]c2C2CC2)[C@H]1C ZINC000993710239 624159535 /nfs/dbraw/zinc/15/95/35/624159535.db2.gz GMSNKKJLLBBZGC-DOMZBBRYSA-N 0 1 287.407 2.661 20 30 CFEDMN C=CCN1CCC[C@@H](NC(=O)c2coc(C(F)F)c2)[C@H]1C ZINC000993717644 624160912 /nfs/dbraw/zinc/16/09/12/624160912.db2.gz QQHXPNNOWRYFFM-ZYHUDNBSSA-N 0 1 298.333 2.986 20 30 CFEDMN CC#CCN1CCC[C@H](NC(=O)c2ccccc2CC)[C@H]1C ZINC000993726674 624160920 /nfs/dbraw/zinc/16/09/20/624160920.db2.gz JPGBAWYUZLDVEH-QAPCUYQASA-N 0 1 298.430 2.855 20 30 CFEDMN C=CCN1CCC[C@@H](NC(=O)c2ccc(F)c(C)c2)[C@H]1C ZINC000993724949 624160976 /nfs/dbraw/zinc/16/09/76/624160976.db2.gz GSBUKSKZXXOIDN-CZUORRHYSA-N 0 1 290.382 2.903 20 30 CFEDMN CC#CCN1CCC[C@H](NC(=O)c2ccccc2CC)[C@@H]1C ZINC000993726676 624161107 /nfs/dbraw/zinc/16/11/07/624161107.db2.gz JPGBAWYUZLDVEH-YJBOKZPZSA-N 0 1 298.430 2.855 20 30 CFEDMN C=CCN1CCC[C@@H](NC(=O)c2csc(Cl)n2)[C@H]1C ZINC000994170966 624180081 /nfs/dbraw/zinc/18/00/81/624180081.db2.gz VKTQSWGHDBJYGV-NXEZZACHSA-N 0 1 299.827 2.565 20 30 CFEDMN C=CCN1CCC[C@@H](NC(=O)c2c[nH]cc2C2CC2)[C@@H]1C ZINC000994132454 624180134 /nfs/dbraw/zinc/18/01/34/624180134.db2.gz GRUURZNZUMOPMW-BLLLJJGKSA-N 0 1 287.407 2.661 20 30 CFEDMN C=CCN1CCC[C@H](NC(=O)c2c[nH]cc2C2CC2)[C@@H]1C ZINC000994132456 624180352 /nfs/dbraw/zinc/18/03/52/624180352.db2.gz GRUURZNZUMOPMW-LRDDRELGSA-N 0 1 287.407 2.661 20 30 CFEDMN C=CCN(C[C@H]1CN(C2CCCCC2)C(=O)O1)C1CC1 ZINC000828132635 624180579 /nfs/dbraw/zinc/18/05/79/624180579.db2.gz LKARQSUNLWEWEC-HNNXBMFYSA-N 0 1 278.396 2.790 20 30 CFEDMN C=CCN1CCC[C@@H](NC(=O)C(C2CC2)C2CC2)[C@@H]1C ZINC000994191366 624181427 /nfs/dbraw/zinc/18/14/27/624181427.db2.gz RYROVIYUMDTNSW-SWLSCSKDSA-N 0 1 276.424 2.578 20 30 CFEDMN CC(=NNc1nc2ccccc2[nH]1)c1cc(O)ccc1O ZINC000915915826 624188379 /nfs/dbraw/zinc/18/83/79/624188379.db2.gz PSRNAKJEPXYELL-UHFFFAOYSA-N 0 1 282.303 2.810 20 30 CFEDMN Cc1cc(C=NN=c2[nH]c3ccccc3n2C)c(C)[nH]1 ZINC000915968128 624195947 /nfs/dbraw/zinc/19/59/47/624195947.db2.gz UGKGTDOAAYJCLI-UHFFFAOYSA-N 0 1 267.336 2.964 20 30 CFEDMN Cc1cc(C=[NH+][N-]c2nc3ccccc3n2C)c(C)[nH]1 ZINC000915968128 624195949 /nfs/dbraw/zinc/19/59/49/624195949.db2.gz UGKGTDOAAYJCLI-UHFFFAOYSA-N 0 1 267.336 2.964 20 30 CFEDMN c1cc2c(ccnc2N=NC2CN3CCC2CC3)s1 ZINC000915980478 624201449 /nfs/dbraw/zinc/20/14/49/624201449.db2.gz XHWMKNONHDBYEX-UHFFFAOYSA-N 0 1 272.377 2.790 20 30 CFEDMN C=CC[N@@H+]1CCC[C@H](NC(=O)c2ccc(C(F)F)o2)[C@H]1C ZINC000994354819 624278428 /nfs/dbraw/zinc/27/84/28/624278428.db2.gz UZUBLHBPVRSGAL-MNOVXSKESA-N 0 1 298.333 2.986 20 30 CFEDMN C=CCN1CCC[C@H](NC(=O)c2ccc(C(F)F)o2)[C@H]1C ZINC000994354819 624278430 /nfs/dbraw/zinc/27/84/30/624278430.db2.gz UZUBLHBPVRSGAL-MNOVXSKESA-N 0 1 298.333 2.986 20 30 CFEDMN C=C(C)C[N@@H+](CC)C[C@H](O)c1cc(OC)ccc1OC ZINC000916968110 624296625 /nfs/dbraw/zinc/29/66/25/624296625.db2.gz OLKJHBTUMFRWHL-HNNXBMFYSA-N 0 1 279.380 2.635 20 30 CFEDMN C#CCN1CCC[C@@H](NC(=O)c2ccc(C3CC3)cc2)[C@H]1C ZINC000994448519 624298969 /nfs/dbraw/zinc/29/89/69/624298969.db2.gz FMUKNFVZANXAJQ-RDTXWAMCSA-N 0 1 296.414 2.780 20 30 CFEDMN C#CCN1CCC[C@H](NC(=O)C2CCC(C)(C)CC2)[C@H]1C ZINC000994484513 624312237 /nfs/dbraw/zinc/31/22/37/624312237.db2.gz IBJCVDGRARGLAF-ZBFHGGJFSA-N 0 1 290.451 2.805 20 30 CFEDMN C#C[C@@H](NCc1ccc(Cl)c(OC)c1)[C@H]1CCCO1 ZINC000828954894 624340297 /nfs/dbraw/zinc/34/02/97/624340297.db2.gz YCKRLUYSHROARV-ZIAGYGMSSA-N 0 1 279.767 2.619 20 30 CFEDMN Fc1ccc2c(C=NNCCN3CCCCC3)c[nH]c2c1 ZINC000917544603 624352573 /nfs/dbraw/zinc/35/25/73/624352573.db2.gz BSVMBCWABRMKOD-UHFFFAOYSA-N 0 1 288.370 2.716 20 30 CFEDMN CC(=NNc1ncnc2nc[nH]c21)c1ccc(C)s1 ZINC000917556090 624359672 /nfs/dbraw/zinc/35/96/72/624359672.db2.gz SXAYRWQXEYAWGQ-UHFFFAOYSA-N 0 1 272.337 2.559 20 30 CFEDMN Cc1cc(C)c(C=NNc2ncnc3[nH]cnc32)c(C)c1 ZINC000917555877 624359689 /nfs/dbraw/zinc/35/96/89/624359689.db2.gz ZDJAMXMNYSPMIN-UHFFFAOYSA-N 0 1 280.335 2.724 20 30 CFEDMN Fc1ccccc1NN=Cc1cn2ccccc2n1 ZINC000918711403 624481294 /nfs/dbraw/zinc/48/12/94/624481294.db2.gz XYJJFLXUVPXEKX-UHFFFAOYSA-N 0 1 254.268 2.919 20 30 CFEDMN CC#CCCON=C(N)c1ccc(N2CCCCC2)cc1 ZINC000154887451 624520816 /nfs/dbraw/zinc/52/08/16/624520816.db2.gz PCTVLFGMBWANEP-UHFFFAOYSA-N 0 1 285.391 2.727 20 30 CFEDMN C#CC[C@@H]1CCCN(CC(=O)Nc2ccc(C)c(F)c2)C1 ZINC000829779147 624534338 /nfs/dbraw/zinc/53/43/38/624534338.db2.gz OKPGFBRYWPLBFG-CQSZACIVSA-N 0 1 288.366 2.808 20 30 CFEDMN C#CC[C@@H]1CCC[N@H+](Cc2nc(=O)c3sccc3[n-]2)C1 ZINC000829788764 624538170 /nfs/dbraw/zinc/53/81/70/624538170.db2.gz GJNONPJGMJYDMT-LLVKDONJSA-N 0 1 287.388 2.632 20 30 CFEDMN C#CC[C@@H]1CCCN(Cc2csc(C(=O)OC)c2)C1 ZINC000829815277 624553730 /nfs/dbraw/zinc/55/37/30/624553730.db2.gz IRPCIXJHOYHEKK-GFCCVEGCSA-N 0 1 277.389 2.770 20 30 CFEDMN C#CC[C@H]1CCCN(Cc2nc(-c3cc(C)ccn3)no2)C1 ZINC000829815175 624554272 /nfs/dbraw/zinc/55/42/72/624554272.db2.gz GOFIHXWEQBSEPW-AWEZNQCLSA-N 0 1 296.374 2.675 20 30 CFEDMN C#CC1CCN(CC(=O)N2CCC[C@H]3CCCC[C@@H]32)CC1 ZINC000830301672 624703727 /nfs/dbraw/zinc/70/37/27/624703727.db2.gz RILUZQAGUHJSDI-SJORKVTESA-N 0 1 288.435 2.513 20 30 CFEDMN C#CC1CCN(CC(=O)N2CCC[C@@H]3CCCC[C@@H]32)CC1 ZINC000830301671 624703877 /nfs/dbraw/zinc/70/38/77/624703877.db2.gz RILUZQAGUHJSDI-IRXDYDNUSA-N 0 1 288.435 2.513 20 30 CFEDMN C#CC1CCN(CC(=O)N[C@H](CCC)c2ccccc2)CC1 ZINC000830311496 624706294 /nfs/dbraw/zinc/70/62/94/624706294.db2.gz NUGAGSNYYIFNGF-GOSISDBHSA-N 0 1 298.430 2.989 20 30 CFEDMN C#CC1CCN(C[C@H](O)c2ccc(F)cc2Cl)CC1 ZINC000830345519 624716350 /nfs/dbraw/zinc/71/63/50/624716350.db2.gz GZPVJGOUPPHFEL-HNNXBMFYSA-N 0 1 281.758 2.858 20 30 CFEDMN C#CCCN1CCc2cc(OCC)c(OCC)cc2C1 ZINC000920416236 624720957 /nfs/dbraw/zinc/72/09/57/624720957.db2.gz YHYNMZJXVDXFSS-UHFFFAOYSA-N 0 1 273.376 2.865 20 30 CFEDMN C#CCOc1ccc(C=NNc2ccccn2)cc1 ZINC000920984392 624794343 /nfs/dbraw/zinc/79/43/43/624794343.db2.gz FHJSCZJXCAHUCM-UHFFFAOYSA-N 0 1 251.289 2.540 20 30 CFEDMN Fc1cccc2c1OCCC2N=Nc1ccccn1 ZINC000921254951 624827328 /nfs/dbraw/zinc/82/73/28/624827328.db2.gz GXHRZXRUHRABIE-UHFFFAOYSA-N 0 1 257.268 2.819 20 30 CFEDMN C#CCN1CCC(NC(=O)N[C@H](CCC)CCCC)CC1 ZINC000921323485 624846336 /nfs/dbraw/zinc/84/63/36/624846336.db2.gz IRCAFTAYMCWPBH-OAHLLOKOSA-N 0 1 293.455 2.742 20 30 CFEDMN CNC(=O)c1ccc(/C=C/C(=O)c2ccc(O)c(F)c2)cc1 ZINC000170851812 624962259 /nfs/dbraw/zinc/96/22/59/624962259.db2.gz BQUBDHDUPBTOIW-XBXARRHUSA-N 0 1 299.301 2.787 20 30 CFEDMN C=C[C@@H]1OCCC[C@H]1NCc1cc(F)ccc1[N+](=O)[O-] ZINC000831829127 625146513 /nfs/dbraw/zinc/14/65/13/625146513.db2.gz HFUIJRGAZVMMON-OCCSQVGLSA-N 0 1 280.299 2.557 20 30 CFEDMN CC(C)C(=O)N1C[C@H](NCc2ccccc2C#N)C(C)(C)C1 ZINC000995485226 625721914 /nfs/dbraw/zinc/72/19/14/625721914.db2.gz NCVOISMHPJJRSB-INIZCTEOSA-N 0 1 299.418 2.541 20 30 CFEDMN C=CCN(CC=C)Cc1cc(=O)oc2c(C)c(O)ccc12 ZINC000072938932 625744752 /nfs/dbraw/zinc/74/47/52/625744752.db2.gz AIOODXZVORBCBR-UHFFFAOYSA-N 0 1 285.343 2.981 20 30 CFEDMN C=C(Cl)CN[C@@H]1CN(C(=O)[C@@H](C)C2CC2)CC1(C)C ZINC000995623243 625745746 /nfs/dbraw/zinc/74/57/46/625745746.db2.gz MVJPUXGRCABKLY-WCQYABFASA-N 0 1 284.831 2.612 20 30 CFEDMN C=C(Cl)CN[C@H]1CN(C(=O)c2cc[nH]c2C)CC1(C)C ZINC000995631189 625746511 /nfs/dbraw/zinc/74/65/11/625746511.db2.gz SIKCYUBLHNGGOJ-ZDUSSCGKSA-N 0 1 295.814 2.516 20 30 CFEDMN C=C(Cl)CN[C@H]1CN(C(=O)[C@H]2[C@@H]3CCC[C@@H]32)CC1(C)C ZINC000995632862 625747062 /nfs/dbraw/zinc/74/70/62/625747062.db2.gz HWIZBNQSOXBLHK-RFQIPJPRSA-N 0 1 296.842 2.612 20 30 CFEDMN C=C(C)CN1CC[C@@H](NC(=O)c2ccc3ccn(C)c3c2)C1 ZINC001015944975 625883454 /nfs/dbraw/zinc/88/34/54/625883454.db2.gz SAUKDONSSWGNQJ-MRXNPFEDSA-N 0 1 297.402 2.559 20 30 CFEDMN C=C(Cl)CN[C@@H]1CN(C(=O)[C@H](C)C(C)C)CC1(C)C ZINC000996366579 625897778 /nfs/dbraw/zinc/89/77/78/625897778.db2.gz AREROYLIDMQYMJ-CHWSQXEVSA-N 0 1 286.847 2.858 20 30 CFEDMN C#Cc1cccc(CN[C@H](C)c2nccnc2C)c1 ZINC000834901561 625915395 /nfs/dbraw/zinc/91/53/95/625915395.db2.gz AAPSOHMVZBLJFF-CYBMUJFWSA-N 0 1 251.333 2.617 20 30 CFEDMN C#Cc1cccc(CN[C@@H](c2nccn2C)C2CC2)c1 ZINC000834903960 625916641 /nfs/dbraw/zinc/91/66/41/625916641.db2.gz UIIDIOWFXXEOSQ-MRXNPFEDSA-N 0 1 265.360 2.642 20 30 CFEDMN Cn1c(Cl)cnc1C=NNc1ccc(F)c(F)c1F ZINC000814945317 625929261 /nfs/dbraw/zinc/92/92/61/625929261.db2.gz VRKMJPHXHVFYJX-UHFFFAOYSA-N 0 1 288.660 2.937 20 30 CFEDMN Nc1ccc2c(c1)CCCC2=NNCCc1ccccn1 ZINC000834976703 625941818 /nfs/dbraw/zinc/94/18/18/625941818.db2.gz ODYFZCXPUQQTLZ-UHFFFAOYSA-N 0 1 280.375 2.537 20 30 CFEDMN C[C@@H]1CCC(=NNc2cnnn2C)c2sccc21 ZINC000834983695 625945397 /nfs/dbraw/zinc/94/53/97/625945397.db2.gz SEFMFPRKVIVIHX-MRVPVSSYSA-N 0 1 261.354 2.590 20 30 CFEDMN CC(C)Cc1ncc(CN=Nc2ccncn2)s1 ZINC000835000929 625949970 /nfs/dbraw/zinc/94/99/70/625949970.db2.gz BWZXOOKYYQQTGR-UHFFFAOYSA-N 0 1 261.354 2.578 20 30 CFEDMN CC(C)Cc1ncc(C=NNc2ccncn2)s1 ZINC000835000929 625949975 /nfs/dbraw/zinc/94/99/75/625949975.db2.gz BWZXOOKYYQQTGR-UHFFFAOYSA-N 0 1 261.354 2.578 20 30 CFEDMN CC(C)[N@@H+]1CC(N=Nc2ccc(C(=O)[O-])c(F)c2)[C@H](C)C1 ZINC000835009858 625957154 /nfs/dbraw/zinc/95/71/54/625957154.db2.gz FYTDXQKFPHMRTJ-SNVBAGLBSA-N 0 1 293.342 2.652 20 30 CFEDMN CCN(C(C)=O)[C@H]1CCCN(Cc2ccccc2C#N)CC1 ZINC000997901092 626018808 /nfs/dbraw/zinc/01/88/08/626018808.db2.gz TWDBZYORRWZYQC-SFHVURJKSA-N 0 1 299.418 2.781 20 30 CFEDMN O=C(/C=C/c1ccc(F)nc1)c1ccc(O)c(F)c1 ZINC000186409757 626045329 /nfs/dbraw/zinc/04/53/29/626045329.db2.gz FJNHQVMLDFKELM-DAFODLJHSA-N 0 1 261.227 2.962 20 30 CFEDMN C=C(Cl)CN[C@H]1CCCN(C(=O)C2CCCCC2)C1 ZINC000998422459 626049574 /nfs/dbraw/zinc/04/95/74/626049574.db2.gz KKFSTQNCTLTJHW-AWEZNQCLSA-N 0 1 284.831 2.900 20 30 CFEDMN C=C(Cl)CN[C@H]1CCCN(C(=O)c2ccccc2C)C1 ZINC000998436101 626050386 /nfs/dbraw/zinc/05/03/86/626050386.db2.gz IGGOZNHAVIUOPW-AWEZNQCLSA-N 0 1 292.810 2.942 20 30 CFEDMN C/C=C(/C)C(=O)N1CCC[C@@H](NCc2ccccc2C#N)C1 ZINC000998886215 626063403 /nfs/dbraw/zinc/06/34/03/626063403.db2.gz POLSMTMOZILFHD-MFWALYKBSA-N 0 1 297.402 2.605 20 30 CFEDMN C=C(Cl)CN[C@@H]1CCCN(C(=O)[C@@H](C)C2CCC2)C1 ZINC000999472851 626074435 /nfs/dbraw/zinc/07/44/35/626074435.db2.gz DUCDLAWNZLMKIX-GXTWGEPZSA-N 0 1 284.831 2.756 20 30 CFEDMN C=C(Cl)CN[C@@H]1CCCN(C(=O)[C@]2(C)C[C@H]3C[C@H]3C2)C1 ZINC000999795600 626080276 /nfs/dbraw/zinc/08/02/76/626080276.db2.gz JRJBGEGXYAUJRE-HLPPOEQASA-N 0 1 296.842 2.756 20 30 CFEDMN C=C(Cl)CN[C@H]1CCCN(C(=O)C2(C)CCC2)C1 ZINC000999904838 626083345 /nfs/dbraw/zinc/08/33/45/626083345.db2.gz JWNBVMKHXSPVOS-LBPRGKRZSA-N 0 1 270.804 2.510 20 30 CFEDMN C=C(Cl)CN[C@@H]1CCCN(C(=O)C(C)(C)C(F)F)C1 ZINC001000145916 626090827 /nfs/dbraw/zinc/09/08/27/626090827.db2.gz VCUIPFFIMSGKHW-SNVBAGLBSA-N 0 1 294.773 2.611 20 30 CFEDMN C=Cn1cc(C=NNc2ccc(Cl)cc2[N+](=O)[O-])cn1 ZINC000773052839 626097495 /nfs/dbraw/zinc/09/74/95/626097495.db2.gz AAMUNAAWCDJKRR-UHFFFAOYSA-N 0 1 291.698 2.991 20 30 CFEDMN C=C(Cl)CN[C@@H]1CCCN(C(=O)C[C@H](C)C2CC2)C1 ZINC001001018080 626139319 /nfs/dbraw/zinc/13/93/19/626139319.db2.gz YRSCJFFOTBCZNY-SMDDNHRTSA-N 0 1 284.831 2.756 20 30 CFEDMN C=CC[N@@H+]1CC=C(CNC(=O)c2ccoc2C(C)C)CC1 ZINC001001484933 626159810 /nfs/dbraw/zinc/15/98/10/626159810.db2.gz SPMDXDNRVXAWRI-UHFFFAOYSA-N 0 1 288.391 2.951 20 30 CFEDMN C=CCN1CC[C@H](NC(=O)c2cc3ccccc3n2CC)C1 ZINC001016330284 626191185 /nfs/dbraw/zinc/19/11/85/626191185.db2.gz FWADNQRZGQRKQE-HNNXBMFYSA-N 0 1 297.402 2.651 20 30 CFEDMN C[C@H]1Cc2cc(CNCc3ccc(C#N)cn3)ccc2O1 ZINC000922034690 626199019 /nfs/dbraw/zinc/19/90/19/626199019.db2.gz NKCILNYOYBGGNN-LBPRGKRZSA-N 0 1 279.343 2.566 20 30 CFEDMN C=CCN1CC[C@@H](NC(=O)[C@@H]2CCCC(C)(C)C2)C1 ZINC001016362003 626216590 /nfs/dbraw/zinc/21/65/90/626216590.db2.gz JGJFPEOWZONJRN-ZIAGYGMSSA-N 0 1 264.413 2.579 20 30 CFEDMN COc1ccncc1CNCc1c(C)cc(C#N)cc1C ZINC000922143922 626217043 /nfs/dbraw/zinc/21/70/43/626217043.db2.gz CUVFZDMLBRPMRX-UHFFFAOYSA-N 0 1 281.359 2.869 20 30 CFEDMN C#CC1(NC(=O)c2cccc3nc(C)[nH]c32)CCCC1 ZINC000922217364 626243289 /nfs/dbraw/zinc/24/32/89/626243289.db2.gz KAZFXNFCSRZRQW-UHFFFAOYSA-N 0 1 267.332 2.547 20 30 CFEDMN N#Cc1cc(CN[C@@H]2C[C@@H](O)c3ccccc32)cs1 ZINC000922246262 626250442 /nfs/dbraw/zinc/25/04/42/626250442.db2.gz LLJQERMECRRSAV-HUUCEWRRSA-N 0 1 270.357 2.888 20 30 CFEDMN CC#CCN1CCC(NC(=O)c2cc(Cl)cs2)CC1 ZINC001003737142 626252155 /nfs/dbraw/zinc/25/21/55/626252155.db2.gz HIWKYRUNZCWPHU-UHFFFAOYSA-N 0 1 296.823 2.619 20 30 CFEDMN C[C@H](O)[C@H](NCc1csc(C#N)c1)c1ccccc1 ZINC000922268434 626256583 /nfs/dbraw/zinc/25/65/83/626256583.db2.gz SCJZLCKOZGARPE-NHYWBVRUSA-N 0 1 272.373 2.831 20 30 CFEDMN Cc1cc(C#N)cc(C)c1CNCc1ccnc(F)c1 ZINC000922308875 626265024 /nfs/dbraw/zinc/26/50/24/626265024.db2.gz RYTMDJGCISZCTB-UHFFFAOYSA-N 0 1 269.323 2.999 20 30 CFEDMN N#Cc1cc(CNCc2cc3c([nH]c2=O)CCCC3)cs1 ZINC000922319694 626268502 /nfs/dbraw/zinc/26/85/02/626268502.db2.gz JLHYZYCWSRSVLD-UHFFFAOYSA-N 0 1 299.399 2.889 20 30 CFEDMN CC#CCN1CCC(NC(=O)c2ccc(C)cc2C)CC1 ZINC001004085710 626282496 /nfs/dbraw/zinc/28/24/96/626282496.db2.gz CEMRITKWQGVZQV-UHFFFAOYSA-N 0 1 284.403 2.521 20 30 CFEDMN C#CCN1CCC(NC(=O)NCCCCCCC=C)CC1 ZINC000922473646 626294546 /nfs/dbraw/zinc/29/45/46/626294546.db2.gz RRTZWOWQONKIDG-UHFFFAOYSA-N 0 1 291.439 2.520 20 30 CFEDMN CC#CCN1CCC(NC(=O)C2C[C@@H](C)C[C@H](C)C2)CC1 ZINC001004224511 626313391 /nfs/dbraw/zinc/31/33/91/626313391.db2.gz QHWCCXKNMRDMAP-GJZGRUSLSA-N 0 1 290.451 2.663 20 30 CFEDMN Cc1cc(C#N)cc(C)c1COC(=O)[C@H](C(C)C)N(C)C ZINC000922663908 626335691 /nfs/dbraw/zinc/33/56/91/626335691.db2.gz HPJOIBGDGHAUKR-INIZCTEOSA-N 0 1 288.391 2.805 20 30 CFEDMN C=C(C)CN1CC[C@H](NC(=O)c2cc3c(o2)CCCC3)C1 ZINC001014683046 626388314 /nfs/dbraw/zinc/38/83/14/626388314.db2.gz QZEDGEMEMFRWBJ-AWEZNQCLSA-N 0 1 288.391 2.539 20 30 CFEDMN CC#CCN1CCC(N(C)C(=O)CC2CCCCC2)CC1 ZINC001005087632 626409645 /nfs/dbraw/zinc/40/96/45/626409645.db2.gz JPMXQUCNNKNQRQ-UHFFFAOYSA-N 0 1 290.451 2.903 20 30 CFEDMN C#CCN(CCO[C@@H]1CC1(F)F)Cc1ccc(F)cc1 ZINC000851737920 634501286 /nfs/dbraw/zinc/50/12/86/634501286.db2.gz RDPUKQBLPYNSEB-CQSZACIVSA-N 0 1 283.293 2.685 20 30 CFEDMN CC#CCN1CCC(N(C)C(=O)C[C@H]2C=CCCC2)CC1 ZINC001005578969 626417697 /nfs/dbraw/zinc/41/76/97/626417697.db2.gz ILCRMKQKZWLHDT-INIZCTEOSA-N 0 1 288.435 2.679 20 30 CFEDMN Cc1csc(C(C#N)C(=O)C=Cc2ccc[nH]2)n1 ZINC000788082324 626420235 /nfs/dbraw/zinc/42/02/35/626420235.db2.gz XKSPTLSJYDWXHP-DOGVGXBMSA-N 0 1 257.318 2.669 20 30 CFEDMN C#CCOc1ccc(CNCc2c(C)noc2CC)cc1 ZINC000922988087 626439525 /nfs/dbraw/zinc/43/95/25/626439525.db2.gz LHLXLQVTZFCGFZ-UHFFFAOYSA-N 0 1 284.359 2.847 20 30 CFEDMN C#CCC1(NCc2ccn(-c3ccccc3)n2)CCC1 ZINC000922998501 626441074 /nfs/dbraw/zinc/44/10/74/626441074.db2.gz VGVQFXDWHFPXHG-UHFFFAOYSA-N 0 1 265.360 2.908 20 30 CFEDMN C=CC[C@@H]1CC[C@H](NCc2noc3c2COCC3)C1 ZINC000923016012 626442638 /nfs/dbraw/zinc/44/26/38/626442638.db2.gz VFDYAATXOWURLJ-NEPJUHHUSA-N 0 1 262.353 2.582 20 30 CFEDMN C=CCCCCCNC(=O)NCc1cc(N(C)C)ccn1 ZINC000923117095 626451871 /nfs/dbraw/zinc/45/18/71/626451871.db2.gz MRZAXGZUKSMYOJ-UHFFFAOYSA-N 0 1 290.411 2.693 20 30 CFEDMN CC#CCOC(=O)c1c[nH]c(=NC(=O)OC(C)(C)C)s1 ZINC000923131388 626452332 /nfs/dbraw/zinc/45/23/32/626452332.db2.gz HISKGZZOJMKEGK-UHFFFAOYSA-N 0 1 296.348 2.670 20 30 CFEDMN C[C@@H](c1cccc(C(F)(F)F)c1)N(C)C[C@H](O)CC#N ZINC000929372394 626458945 /nfs/dbraw/zinc/45/89/45/626458945.db2.gz ORTHHHNCZAHJRE-GXFFZTMASA-N 0 1 286.297 2.973 20 30 CFEDMN C#CCN1CCC(N(C)C(=O)[C@H]2C[C@@]2(CC)C(C)C)CC1 ZINC001006213396 626480525 /nfs/dbraw/zinc/48/05/25/626480525.db2.gz ZVOKRFVLFAIZIO-AEFFLSMTSA-N 0 1 290.451 2.615 20 30 CFEDMN CC[C@@H](CC1CCCC1)C(=O)C(C#N)C(=O)N1CCCC1 ZINC000842285081 626481068 /nfs/dbraw/zinc/48/10/68/626481068.db2.gz MUMUGRMVRZGJCI-LSDHHAIUSA-N 0 1 290.407 2.924 20 30 CFEDMN C#CCN1CCC(N(C)C(=O)c2ccc(Cl)cc2)CC1 ZINC001006322290 626482887 /nfs/dbraw/zinc/48/28/87/626482887.db2.gz GLMHUCGAVIQXAU-UHFFFAOYSA-N 0 1 290.794 2.510 20 30 CFEDMN C#Cc1cccc(N(C)C(=O)c2cc(-c3ccco3)n[nH]2)c1 ZINC000103102402 626499219 /nfs/dbraw/zinc/49/92/19/626499219.db2.gz PQFOMSZYMOMNLG-UHFFFAOYSA-N 0 1 291.310 2.928 20 30 CFEDMN N#CC(C(=O)[C@@H]1C[C@H]2CC[C@@H]1O2)c1ccc2ccccc2n1 ZINC000838783929 626506373 /nfs/dbraw/zinc/50/63/73/626506373.db2.gz WRCHEESPGKEWME-WVZRYYJFSA-N 0 1 292.338 2.979 20 30 CFEDMN Cc1cc(C(C#N)C(=O)[C@@H](C)C2CCC2)nc(C)n1 ZINC000838785424 626506629 /nfs/dbraw/zinc/50/66/29/626506629.db2.gz OIDXGSHEZUFHRV-GXFFZTMASA-N 0 1 257.337 2.706 20 30 CFEDMN CC(C)(C)C1CC(C(=O)C(C#N)C(=O)NC2CCCC2)C1 ZINC000838790826 626507018 /nfs/dbraw/zinc/50/70/18/626507018.db2.gz KKRAADJPCDLQOO-YIZWMMSDSA-N 0 1 290.407 2.826 20 30 CFEDMN C#CC[C@H](NCc1cc(=O)[nH]c(C2CC2)n1)c1ccccc1 ZINC000838913459 626513570 /nfs/dbraw/zinc/51/35/70/626513570.db2.gz SFVGESQQBDKFSQ-INIZCTEOSA-N 0 1 293.370 2.914 20 30 CFEDMN C#CCC[C@H](C)OC(=O)[C@@]1(F)CCN(C(C)(C)C)C1 ZINC000839039061 626519518 /nfs/dbraw/zinc/51/95/18/626519518.db2.gz BLWITKCGALDPRM-SWLSCSKDSA-N 0 1 269.360 2.544 20 30 CFEDMN N#C[C@H]1CCC[C@H](OC(=O)c2ccc3cncn3c2)C1 ZINC000839064479 626522588 /nfs/dbraw/zinc/52/25/88/626522588.db2.gz WXIOWNAAUNAJDG-FZMZJTMJSA-N 0 1 269.304 2.573 20 30 CFEDMN C#C[C@H](N[C@@H]1C[C@H](OCC)[C@H]1SC)c1ccc(F)cc1 ZINC000839111872 626525610 /nfs/dbraw/zinc/52/56/10/626525610.db2.gz ZETHEKIUSFTKIJ-FZKCQIBNSA-N 0 1 293.407 2.999 20 30 CFEDMN CC1(C#N)CN(Cc2c(O)ccc(Cl)c2F)C1 ZINC000839133347 626528035 /nfs/dbraw/zinc/52/80/35/626528035.db2.gz PHBAUMFQYZPLJW-UHFFFAOYSA-N 0 1 254.692 2.530 20 30 CFEDMN C#CCOc1ccc(CN2CC3(CC(F)C3)C2)cc1 ZINC000839141101 626528548 /nfs/dbraw/zinc/52/85/48/626528548.db2.gz YONQAFOXYHMYOZ-UHFFFAOYSA-N 0 1 259.324 2.633 20 30 CFEDMN CCCCCCCCNC(=O)[C@@H]1CCc2[nH]cnc2C1 ZINC000220546196 626540174 /nfs/dbraw/zinc/54/01/74/626540174.db2.gz BCFDVGJURNKQEV-CYBMUJFWSA-N 0 1 277.412 2.991 20 30 CFEDMN C#CC[C@@H](NCc1cnc(C)nc1)c1ccccc1 ZINC000756996107 626543205 /nfs/dbraw/zinc/54/32/05/626543205.db2.gz OSLQNCJWLQNSIN-MRXNPFEDSA-N 0 1 251.333 2.639 20 30 CFEDMN C#CC[C@@H](NC(=O)NCc1cc(CC)[nH]n1)c1ccccc1 ZINC000757035174 626543794 /nfs/dbraw/zinc/54/37/94/626543794.db2.gz MTJGOCKWMRHVDQ-MRXNPFEDSA-N 0 1 296.374 2.536 20 30 CFEDMN O=C(/C=C1/COc2ccc(F)cc21)c1ccc(O)cc1O ZINC000757467574 626552924 /nfs/dbraw/zinc/55/29/24/626552924.db2.gz GFVJCVZTYACFPY-UITAMQMPSA-N 0 1 286.258 2.896 20 30 CFEDMN COc1ccc(C(=O)/C=C/c2nccs2)c(O)c1 ZINC000757471378 626553126 /nfs/dbraw/zinc/55/31/26/626553126.db2.gz CNAUZNOHLWIITM-SNAWJCMRSA-N 0 1 261.302 2.753 20 30 CFEDMN COC(=O)c1ccc(/C=C/C(=O)c2ccc(C)cc2O)[nH]1 ZINC000757475941 626553237 /nfs/dbraw/zinc/55/32/37/626553237.db2.gz NSCKXFMKIKLZNT-VMPITWQZSA-N 0 1 285.299 2.711 20 30 CFEDMN C=CCONC(=O)[C@H]1CC(C)(C)Oc2ccccc21 ZINC000839789159 626555535 /nfs/dbraw/zinc/55/55/35/626555535.db2.gz WEFWIUGHTNAJQN-LBPRGKRZSA-N 0 1 261.321 2.565 20 30 CFEDMN C#CCOc1ccc(CN(C)Cc2ccc(OC)nc2)cc1 ZINC000757917740 626567690 /nfs/dbraw/zinc/56/76/90/626567690.db2.gz NSOFUQDUPCFPQW-UHFFFAOYSA-N 0 1 296.370 2.734 20 30 CFEDMN Cc1cc(N=NC(C)c2ccc(N)cc2C)nc(C)n1 ZINC000758108731 626576839 /nfs/dbraw/zinc/57/68/39/626576839.db2.gz VNUVAIQCQWSYQE-UHFFFAOYSA-N 0 1 269.352 2.820 20 30 CFEDMN Cc1ccc(NN=Cc2nc(C(C)(C)C)no2)nc1 ZINC000758110774 626576948 /nfs/dbraw/zinc/57/69/48/626576948.db2.gz XYCXWEOWTCYHBM-UHFFFAOYSA-N 0 1 259.313 2.517 20 30 CFEDMN N#Cc1cc(F)ccc1COC(=O)[C@@H]1CCCc2[nH]ncc21 ZINC000758135299 626578461 /nfs/dbraw/zinc/57/84/61/626578461.db2.gz HAONNZAXWKCTBC-CYBMUJFWSA-N 0 1 299.305 2.584 20 30 CFEDMN COC(=O)c1ccc(N=NCc2cccc(F)c2F)nc1 ZINC000758138768 626578869 /nfs/dbraw/zinc/57/88/69/626578869.db2.gz AZBTZUGDFMGXCR-UHFFFAOYSA-N 0 1 291.257 2.592 20 30 CFEDMN CCN(Cn1ccc(C)c(C#N)c1=O)C1CCCCC1 ZINC000758181514 626580898 /nfs/dbraw/zinc/58/08/98/626580898.db2.gz OJDDZDJGAXBRJR-UHFFFAOYSA-N 0 1 273.380 2.641 20 30 CFEDMN CCCCCN(Cn1cccc(C#N)c1=O)C(C)C ZINC000758195867 626581402 /nfs/dbraw/zinc/58/14/02/626581402.db2.gz HUQXRQOZYQROQS-UHFFFAOYSA-N 0 1 261.369 2.578 20 30 CFEDMN CC1CCC(N(Cn2cccc(C#N)c2=O)C2CC2)CC1 ZINC000758205358 626582238 /nfs/dbraw/zinc/58/22/38/626582238.db2.gz LHTYCDMADJPSQC-UHFFFAOYSA-N 0 1 285.391 2.721 20 30 CFEDMN Cc1ccc(NN=Cc2cnc(C(C)C)s2)nn1 ZINC000758369600 626590335 /nfs/dbraw/zinc/59/03/35/626590335.db2.gz HQTHNUSUVFWVCE-UHFFFAOYSA-N 0 1 261.354 2.811 20 30 CFEDMN COc1cc2c(cc1CN=Nc1ccc(C)cn1)OCO2 ZINC000758873156 626614242 /nfs/dbraw/zinc/61/42/42/626614242.db2.gz BYNGWYMEERCOSE-UHFFFAOYSA-N 0 1 285.303 2.573 20 30 CFEDMN C[C@@H]1CC(=NOCC(F)F)CN1Cc1ccccc1 ZINC000758912720 626617749 /nfs/dbraw/zinc/61/77/49/626617749.db2.gz XLAYALXPXRSHOO-LLVKDONJSA-N 0 1 268.307 2.919 20 30 CFEDMN COc1ccc(/C=C/C(=O)Nc2cc(C#N)ccc2O)cc1 ZINC000759713087 626686560 /nfs/dbraw/zinc/68/65/60/626686560.db2.gz HDQOEFMMLRPIOI-WEVVVXLNSA-N 0 1 294.310 2.924 20 30 CFEDMN C[C@]1(CO)CCCN1Cc1cc(Cl)ccc1OCC#N ZINC000759891577 626699896 /nfs/dbraw/zinc/69/98/96/626699896.db2.gz AFIRLFIEGDSWCX-OAHLLOKOSA-N 0 1 294.782 2.589 20 30 CFEDMN C#CCCCC(=O)NCc1nc2ccc(Cl)cc2[nH]1 ZINC000760320800 626734158 /nfs/dbraw/zinc/73/41/58/626734158.db2.gz IEFBEMATSCOZDL-UHFFFAOYSA-N 0 1 275.739 2.636 20 30 CFEDMN N#C[C@@H](C(=O)C=CSc1ccccc1)c1ccncn1 ZINC000760337713 626736028 /nfs/dbraw/zinc/73/60/28/626736028.db2.gz BHUKNMBPQAYMBD-BUUCAEBMSA-N 0 1 281.340 2.959 20 30 CFEDMN N#CC(C(=O)C=CSc1ccccc1)c1ccncn1 ZINC000760337713 626736032 /nfs/dbraw/zinc/73/60/32/626736032.db2.gz BHUKNMBPQAYMBD-BUUCAEBMSA-N 0 1 281.340 2.959 20 30 CFEDMN N#CC(C(=O)CCSc1ccccc1)c1ccncn1 ZINC000760341703 626737010 /nfs/dbraw/zinc/73/70/10/626737010.db2.gz TXGHRGMSFMFVAT-ZDUSSCGKSA-N 0 1 283.356 2.835 20 30 CFEDMN N#CC(C(=O)CCc1c[nH]c2ccccc12)c1ccncn1 ZINC000760353272 626738433 /nfs/dbraw/zinc/73/84/33/626738433.db2.gz PBZMSOJQDLSDAW-CQSZACIVSA-N 0 1 290.326 2.767 20 30 CFEDMN N#CC(C(=O)C[C@H]1CCOc2ccccc21)c1ccncn1 ZINC000760360246 626739948 /nfs/dbraw/zinc/73/99/48/626739948.db2.gz XDMFKOWEUYSIPV-TZMCWYRMSA-N 0 1 293.326 2.609 20 30 CFEDMN C#CCOCCN(C)Cc1csc(Br)c1 ZINC000761110486 626805889 /nfs/dbraw/zinc/80/58/89/626805889.db2.gz SRSVCAOBBARVMH-UHFFFAOYSA-N 0 1 288.210 2.592 20 30 CFEDMN CC(C)(C)CN(CCC#N)CC[C@H]1COC(C)(C)O1 ZINC000851779680 634525784 /nfs/dbraw/zinc/52/57/84/634525784.db2.gz CDBUJSQZUNXKDW-ZDUSSCGKSA-N 0 1 268.401 2.790 20 30 CFEDMN N#Cc1c(F)ccc(C=NNc2cnccn2)c1Cl ZINC000761782696 626858482 /nfs/dbraw/zinc/85/84/82/626858482.db2.gz YICIVYRGUKDDMQ-UHFFFAOYSA-N 0 1 275.674 2.587 20 30 CFEDMN C[C@H]1CC(N=Nc2cc(F)c(F)c(F)c2)CN1C ZINC000761813296 626860572 /nfs/dbraw/zinc/86/05/72/626860572.db2.gz QTVJIJFZUYSEKA-ZETCQYMHSA-N 0 1 257.259 2.596 20 30 CFEDMN CC(=NNc1cnn(C)c1)c1cccc(OC(F)F)c1 ZINC000761880572 626869213 /nfs/dbraw/zinc/86/92/13/626869213.db2.gz GHIUBFBMGVOVGL-UHFFFAOYSA-N 0 1 280.278 2.858 20 30 CFEDMN Cc1cccc2nc([C@H](C#N)C(=O)[C@H]3CCSC3)[nH]c21 ZINC000762088986 626889332 /nfs/dbraw/zinc/88/93/32/626889332.db2.gz VAXBPPNELSDQOC-WDEREUQCSA-N 0 1 285.372 2.801 20 30 CFEDMN CC(C)CCN(CCC#N)CC[C@@H]1COC(C)(C)O1 ZINC000851799265 634535876 /nfs/dbraw/zinc/53/58/76/634535876.db2.gz XUGCOCQBFDUPOK-CQSZACIVSA-N 0 1 268.401 2.790 20 30 CFEDMN Cc1nc(C2CCCC2)sc1C(=O)NC1=NO[C@@H](C)C1 ZINC000763260803 626973684 /nfs/dbraw/zinc/97/36/84/626973684.db2.gz STLSBZFDXMYINQ-QMMMGPOBSA-N 0 1 293.392 2.961 20 30 CFEDMN C[C@H]1CC(NC(=O)c2cnc(-c3ccccc3)s2)=NO1 ZINC000763261330 626974456 /nfs/dbraw/zinc/97/44/56/626974456.db2.gz QWHCXLQZXRHOPV-VIFPVBQESA-N 0 1 287.344 2.662 20 30 CFEDMN Fc1cccc2[nH]cc(C=NNC3=N[C@@H]4CCCC[C@H]4N3)c21 ZINC000763369357 626983842 /nfs/dbraw/zinc/98/38/42/626983842.db2.gz GYOZRSKENYRDCN-CHWSQXEVSA-N 0 1 299.353 2.501 20 30 CFEDMN C#CCN(CCOc1ccc(F)cc1Cl)C1CC1 ZINC000763943994 627024196 /nfs/dbraw/zinc/02/41/96/627024196.db2.gz JNTWKEYBKNNLHG-UHFFFAOYSA-N 0 1 267.731 2.956 20 30 CFEDMN C#CCN(CCOc1ccc(SC)cc1)C1CC1 ZINC000763950118 627024433 /nfs/dbraw/zinc/02/44/33/627024433.db2.gz RKFLMSUPXIUZIK-UHFFFAOYSA-N 0 1 261.390 2.885 20 30 CFEDMN C#CCN(Cc1ccc(C(=O)N2CCCC2)cc1)C1CC1 ZINC000763957973 627026431 /nfs/dbraw/zinc/02/64/31/627026431.db2.gz OHZWQYJHIADZNX-UHFFFAOYSA-N 0 1 282.387 2.520 20 30 CFEDMN CC#CCCn1[nH]c(C(C)(C)C)c(CCC#N)c1=O ZINC000764941751 627107627 /nfs/dbraw/zinc/10/76/27/627107627.db2.gz VMJUMZRZRXAVRQ-UHFFFAOYSA-N 0 1 259.353 2.756 20 30 CFEDMN C[C@@H]1CC(NC(=O)c2cc(Oc3ccccc3)ccn2)=NO1 ZINC000765372345 627132832 /nfs/dbraw/zinc/13/28/32/627132832.db2.gz JRQQGWYGGCRUOH-LLVKDONJSA-N 0 1 297.314 2.726 20 30 CFEDMN C[C@@H]1CC(NC(=O)c2ccc(-c3ccco3)s2)=NO1 ZINC000765377040 627133499 /nfs/dbraw/zinc/13/34/99/627133499.db2.gz SFKCZUJRMJMBCT-MRVPVSSYSA-N 0 1 276.317 2.860 20 30 CFEDMN C#CCN1CCC[C@H]1COC(=O)[C@H](c1ccccc1)C1CC1 ZINC000765940175 627165324 /nfs/dbraw/zinc/16/53/24/627165324.db2.gz JLAGWTYKCPBBJQ-ZWKOTPCHSA-N 0 1 297.398 2.821 20 30 CFEDMN CCC(CSc1ccccc1[N+](=O)[O-])=Nn1cnnc1 ZINC000766677523 627214135 /nfs/dbraw/zinc/21/41/35/627214135.db2.gz FLZCDXBSQGUUNT-UHFFFAOYSA-N 0 1 291.336 2.593 20 30 CFEDMN C#CCCC[NH+]1CCC(C(=O)c2ccc([O-])cc2)CC1 ZINC000766907045 627226637 /nfs/dbraw/zinc/22/66/37/627226637.db2.gz ODRMTSIYZIVLCM-UHFFFAOYSA-N 0 1 271.360 2.700 20 30 CFEDMN Cc1cc(Cl)ccc1CN=Nc1ccnc(N(C)C)n1 ZINC000767377841 627246654 /nfs/dbraw/zinc/24/66/54/627246654.db2.gz AUYCGFFJOGHPKO-UHFFFAOYSA-N 0 1 289.770 2.950 20 30 CFEDMN CCOC(CN(CC)Cc1ccc(C#N)cc1)OCC ZINC000767777229 627284697 /nfs/dbraw/zinc/28/46/97/627284697.db2.gz YRKCYSFFWYKTLW-UHFFFAOYSA-N 0 1 276.380 2.779 20 30 CFEDMN Fc1ccc(C=NNCCN2CCCCC2)c(Cl)c1 ZINC000767777702 627284836 /nfs/dbraw/zinc/28/48/36/627284836.db2.gz XJGRZNACAXWVKF-UHFFFAOYSA-N 0 1 283.778 2.889 20 30 CFEDMN CC(=NN=Cc1cc(-c2ccccc2)[nH]n1)c1cnccn1 ZINC000767789024 627285749 /nfs/dbraw/zinc/28/57/49/627285749.db2.gz SDQJJUQURKGCRN-UHFFFAOYSA-N 0 1 290.330 2.710 20 30 CFEDMN N#Cc1cc(Cl)nc(NN=Cc2cc(F)ccc2O)c1 ZINC000768373442 627337748 /nfs/dbraw/zinc/33/77/48/627337748.db2.gz DEZDNXSHXAYTAT-UHFFFAOYSA-N 0 1 290.685 2.897 20 30 CFEDMN C#CCCN(CC(F)(F)F)C(=O)c1cccc2[nH]cnc21 ZINC000768614958 627358587 /nfs/dbraw/zinc/35/85/87/627358587.db2.gz NJCKQOGHYFETLM-UHFFFAOYSA-N 0 1 295.264 2.591 20 30 CFEDMN CC/C=C\CCON=C(N)c1ccc(N(C)C)cc1 ZINC000768927789 627386616 /nfs/dbraw/zinc/38/66/16/627386616.db2.gz TXOBOGWDVHSPNB-WAYWQWQTSA-N 0 1 261.369 2.746 20 30 CFEDMN N#Cc1cccc([C@H]2CN(C[C@@H]3C[C@H]4C[C@H]4C3)CCO2)c1 ZINC000851881658 634570178 /nfs/dbraw/zinc/57/01/78/634570178.db2.gz NASOPTMMQSYJJW-BZZMCLGOSA-N 0 1 282.387 2.978 20 30 CFEDMN C=CCCC(=O)OCCN(C)Cc1ccc(F)cc1 ZINC000769091819 627402116 /nfs/dbraw/zinc/40/21/16/627402116.db2.gz DJEBSNSMGPTJJO-UHFFFAOYSA-N 0 1 265.328 2.767 20 30 CFEDMN C#CCC(C)(C)C(=O)OCCN(C)Cc1ccc(F)cc1 ZINC000769138666 627406452 /nfs/dbraw/zinc/40/64/52/627406452.db2.gz JZVUHUUHHFCMNR-UHFFFAOYSA-N 0 1 291.366 2.850 20 30 CFEDMN C#CCOc1ccc(CN2CCOC(C)(C)[C@@H]2C)cc1 ZINC000769452331 627441098 /nfs/dbraw/zinc/44/10/98/627441098.db2.gz WNZNMAAMOXTDCB-AWEZNQCLSA-N 0 1 273.376 2.698 20 30 CFEDMN C[C@H](C#N)Oc1ccc(CN(C)Cc2ccc[nH]2)cc1 ZINC000769544120 627454107 /nfs/dbraw/zinc/45/41/07/627454107.db2.gz VGIAXETUBTZXFG-CYBMUJFWSA-N 0 1 269.348 2.938 20 30 CFEDMN c1ccc([C@@H]2CCC2=NNCCN2CCCCC2)cc1 ZINC000769780268 627474091 /nfs/dbraw/zinc/47/40/91/627474091.db2.gz LWSLDMNAUABWAN-INIZCTEOSA-N 0 1 271.408 2.996 20 30 CFEDMN C[C@H]1CN(C2CC2)CC1N=Nc1ccc(F)c([N+](=O)[O-])c1 ZINC000769821593 627478464 /nfs/dbraw/zinc/47/84/64/627478464.db2.gz IHLUFHKWAMOAMT-VIFPVBQESA-N 0 1 292.314 2.616 20 30 CFEDMN C#CCOCCNC1(c2ccc(F)cc2F)CCC1 ZINC000851903216 634581265 /nfs/dbraw/zinc/58/12/65/634581265.db2.gz NSMFWZVGFNQGGK-UHFFFAOYSA-N 0 1 265.303 2.583 20 30 CFEDMN N#C[C@@H]1CC[C@@H]([NH2+]Cc2cc(Br)ccc2[O-])C1 ZINC000769945153 627489391 /nfs/dbraw/zinc/48/93/91/627489391.db2.gz QZTPCLULCYEWJU-BXKDBHETSA-N 0 1 295.180 2.937 20 30 CFEDMN C#C[C@@H](C)N(C)Cc1cc(=O)oc2cc(C)c(C)cc12 ZINC000769961066 627491655 /nfs/dbraw/zinc/49/16/55/627491655.db2.gz OLCGVKQPWOVYOC-CYBMUJFWSA-N 0 1 269.344 2.863 20 30 CFEDMN C#Cc1ccc(C(=O)Nc2cc(F)cc(Cl)c2O)nc1 ZINC000771510428 627610782 /nfs/dbraw/zinc/61/07/82/627610782.db2.gz JLFCHJUUOPTOQK-UHFFFAOYSA-N 0 1 290.681 2.813 20 30 CFEDMN C#CCN(Cc1cc(OC)ccn1)C1CCCCC1 ZINC000771806780 627632246 /nfs/dbraw/zinc/63/22/46/627632246.db2.gz NPBUQKPSPIWHCG-UHFFFAOYSA-N 0 1 258.365 2.858 20 30 CFEDMN C#CCN1CCC(C(=O)OCCC2CCCCC2)CC1 ZINC000772119040 627674742 /nfs/dbraw/zinc/67/47/42/627674742.db2.gz AQXMFOZAUMFLAB-UHFFFAOYSA-N 0 1 277.408 2.845 20 30 CFEDMN Cc1cc(NN=Cc2cncc3ccccc23)ncn1 ZINC000772843454 627750833 /nfs/dbraw/zinc/75/08/33/627750833.db2.gz ABMBFONLDYKBOA-UHFFFAOYSA-N 0 1 263.304 2.779 20 30 CFEDMN CN(C)c1nccc(N=NCc2cncc3ccccc32)n1 ZINC000772845736 627751461 /nfs/dbraw/zinc/75/14/61/627751461.db2.gz SJQIPAUFFFQFRU-UHFFFAOYSA-N 0 1 292.346 2.537 20 30 CFEDMN Cc1cccc(NC(=O)C(C#N)C(=O)C2(F)CCCC2)c1 ZINC000773976894 627875467 /nfs/dbraw/zinc/87/54/67/627875467.db2.gz SHGMIMXHNNZXLJ-CYBMUJFWSA-N 0 1 288.322 2.925 20 30 CFEDMN CC1(C)CCC[C@@H]1C(=O)[C@@H](C#N)C(=O)Nc1ccccn1 ZINC000773990725 627876446 /nfs/dbraw/zinc/87/64/46/627876446.db2.gz WIMQYLWHUIKIMB-VXGBXAGGSA-N 0 1 285.347 2.555 20 30 CFEDMN Cc1cccc2nc([C@H](C#N)C(=O)[C@H]3CCOC[C@@H]3C)[nH]c21 ZINC000774113399 627889676 /nfs/dbraw/zinc/88/96/76/627889676.db2.gz VUSZZYWQPZKNCB-RWMBFGLXSA-N 0 1 297.358 2.720 20 30 CFEDMN C[C@@H](N[C@@H](C)c1ccnn1C)c1ccc(OCC#N)cc1 ZINC000774237597 627907742 /nfs/dbraw/zinc/90/77/42/627907742.db2.gz UFVBUFFUUZYWMC-OLZOCXBDSA-N 0 1 284.363 2.734 20 30 CFEDMN C[C@@H](N[C@@H](C)c1ccc(OCC#N)cc1)c1ccnn1C ZINC000774237599 627907867 /nfs/dbraw/zinc/90/78/67/627907867.db2.gz UFVBUFFUUZYWMC-QWHCGFSZSA-N 0 1 284.363 2.734 20 30 CFEDMN C[C@@H]1CC(=NC(=O)c2ccccc2COC(C)(C)C)NO1 ZINC000774333558 627916602 /nfs/dbraw/zinc/91/66/02/627916602.db2.gz AJJVVGYLRSBNTG-LLVKDONJSA-N 0 1 290.363 2.854 20 30 CFEDMN N#Cc1ccc(CN[C@@H]2CCCNc3ccccc32)nc1 ZINC000774371270 627919919 /nfs/dbraw/zinc/91/99/19/627919919.db2.gz RMEQZFBZKGVVNK-QGZVFWFLSA-N 0 1 278.359 2.990 20 30 CFEDMN CCOCCON=Cc1cccc(Br)c1O ZINC000774422897 627923849 /nfs/dbraw/zinc/92/38/49/627923849.db2.gz QNNQMILYHZLBIE-UHFFFAOYSA-N 0 1 288.141 2.542 20 30 CFEDMN CCOCCON=C(CC)c1ccc(N(C)C)cc1 ZINC000774433977 627924898 /nfs/dbraw/zinc/92/48/98/627924898.db2.gz BHCHVKHSVLXDPY-UHFFFAOYSA-N 0 1 264.369 2.920 20 30 CFEDMN C#C[C@H](C)N(C)Cc1ccc(OCCC)c(OC)c1 ZINC000775180342 627998154 /nfs/dbraw/zinc/99/81/54/627998154.db2.gz WOJGRBUFFXNPKQ-ZDUSSCGKSA-N 0 1 261.365 2.938 20 30 CFEDMN C#C[C@@H](NCc1ccc(OC(C)C)cc1)[C@H]1CCCO1 ZINC000775339328 628011418 /nfs/dbraw/zinc/01/14/18/628011418.db2.gz BOIOWIFOGNHPBO-IAGOWNOFSA-N 0 1 273.376 2.744 20 30 CFEDMN C#C[C@@H](NCc1cc2cc(OC)ccc2o1)[C@H]1CCCO1 ZINC000775342007 628012164 /nfs/dbraw/zinc/01/21/64/628012164.db2.gz PBJHESVIUFQXFY-NVXWUHKLSA-N 0 1 285.343 2.712 20 30 CFEDMN C#C[C@@H](NCc1ccc(Cl)c(F)c1)[C@H]1CCCO1 ZINC000775342398 628012750 /nfs/dbraw/zinc/01/27/50/628012750.db2.gz QTRFXLAGDRAMOH-ZIAGYGMSSA-N 0 1 267.731 2.750 20 30 CFEDMN C#C[C@H](NCc1cccc(CCC)c1)[C@H]1CCCO1 ZINC000775344987 628013318 /nfs/dbraw/zinc/01/33/18/628013318.db2.gz LEEDRRCJDLMGDI-DLBZAZTESA-N 0 1 257.377 2.910 20 30 CFEDMN C#C[C@@H](NCc1ccc(OCC(F)F)cc1)[C@H]1CCCO1 ZINC000775350262 628014505 /nfs/dbraw/zinc/01/45/05/628014505.db2.gz OJWSLZWNHBUVOS-HUUCEWRRSA-N 0 1 295.329 2.601 20 30 CFEDMN C#CC[C@H](NCc1cc(=O)c(OC)co1)c1ccccc1 ZINC000775401640 628021140 /nfs/dbraw/zinc/02/11/40/628021140.db2.gz XCNPCKPVLPLLME-HNNXBMFYSA-N 0 1 283.327 2.503 20 30 CFEDMN C#C[C@H](N[C@@H]1CCc2ccc(F)cc21)[C@@H]1CCCO1 ZINC000775571351 628039907 /nfs/dbraw/zinc/03/99/07/628039907.db2.gz FZIYYBJSLWTFSK-XHSDSOJGSA-N 0 1 259.324 2.583 20 30 CFEDMN C#C[C@H](N[C@@H](C)c1ccnc(Cl)c1)[C@@H]1CCCO1 ZINC000775574880 628041999 /nfs/dbraw/zinc/04/19/99/628041999.db2.gz SYAMAEBPFXOFAI-DRZSPHRISA-N 0 1 264.756 2.566 20 30 CFEDMN C#C[C@H](N[C@H](C)c1ccc(F)c(OC)c1)[C@H]1CCCO1 ZINC000775574187 628042406 /nfs/dbraw/zinc/04/24/06/628042406.db2.gz OHEIYCMKFRHVRQ-BYCMXARLSA-N 0 1 277.339 2.666 20 30 CFEDMN C#C[C@H](N[C@H](CCOC)c1ccccc1)[C@H]1CCCO1 ZINC000775795254 628069461 /nfs/dbraw/zinc/06/94/61/628069461.db2.gz VRBGEWOQENIMBQ-GVDBMIGSSA-N 0 1 273.376 2.535 20 30 CFEDMN C#C[C@@H](NCc1cncc2ccccc21)[C@H]1CCCO1 ZINC000775795234 628069699 /nfs/dbraw/zinc/06/96/99/628069699.db2.gz VLINJVZJIOEUGC-IAGOWNOFSA-N 0 1 266.344 2.505 20 30 CFEDMN C#C[C@H](NCc1cc(F)cc2cccnc21)[C@@H]1CCCO1 ZINC000775794611 628070066 /nfs/dbraw/zinc/07/00/66/628070066.db2.gz JJPSEWBKFQEQQC-HOTGVXAUSA-N 0 1 284.334 2.644 20 30 CFEDMN N#CC1(CN2CCCC[C@@H]2[C@@H](O)c2ccccc2)CC1 ZINC000775987499 628092112 /nfs/dbraw/zinc/09/21/12/628092112.db2.gz WTSCZRDOYPKSKO-CVEARBPZSA-N 0 1 270.376 2.878 20 30 CFEDMN N#CC1(CN2CCCC[C@H]2[C@H](O)c2ccccc2)CC1 ZINC000775987503 628092206 /nfs/dbraw/zinc/09/22/06/628092206.db2.gz WTSCZRDOYPKSKO-JKSUJKDBSA-N 0 1 270.376 2.878 20 30 CFEDMN C#CC[C@H](NCc1ccc(OC)cn1)c1ccccc1 ZINC000776008325 628094304 /nfs/dbraw/zinc/09/43/04/628094304.db2.gz QKSVFWJCANTARH-KRWDZBQOSA-N 0 1 266.344 2.944 20 30 CFEDMN CC[C@@H](C(=O)OCCC(C)(C)C#N)N(CC)CC ZINC000776385377 628137233 /nfs/dbraw/zinc/13/72/33/628137233.db2.gz DMRNXXCBBFDDJC-LBPRGKRZSA-N 0 1 254.374 2.590 20 30 CFEDMN N#C[C@H](OC(=O)[C@@H]1CCCc2[nH]ncc21)C1CCCCC1 ZINC000776395802 628142546 /nfs/dbraw/zinc/14/25/46/628142546.db2.gz BOSGDOXKJGKGHR-DOMZBBRYSA-N 0 1 287.363 2.845 20 30 CFEDMN C[C@@H]1CC[C@H](C(=O)C(C#N)C(=O)NC2CCCCC2)C1 ZINC000776514591 628154559 /nfs/dbraw/zinc/15/45/59/628154559.db2.gz FIZXZOHDTRPKLS-MBNYWOFBSA-N 0 1 276.380 2.580 20 30 CFEDMN CC(C)CN(CCC#N)CCC(=O)OCc1ccccc1 ZINC000776585644 628161524 /nfs/dbraw/zinc/16/15/24/628161524.db2.gz YTIWCEMDSXAVGQ-UHFFFAOYSA-N 0 1 288.391 2.992 20 30 CFEDMN CC(=NNc1ccccn1)c1ccc(C#N)c(F)c1 ZINC000776759724 628175520 /nfs/dbraw/zinc/17/55/20/628175520.db2.gz VRNNMWCDUMVSOQ-UHFFFAOYSA-N 0 1 254.268 2.928 20 30 CFEDMN COc1cc(C=NOC2CCCCC2)cc([N+](=O)[O-])c1O ZINC000777456597 628227725 /nfs/dbraw/zinc/22/77/25/628227725.db2.gz DGQAWFGCLRBYHP-UHFFFAOYSA-N 0 1 294.307 2.992 20 30 CFEDMN COC[C@@H](C)NN=Cc1cc(Cl)c(O)cc1Cl ZINC000777902654 628263489 /nfs/dbraw/zinc/26/34/89/628263489.db2.gz SEHSOCJHHUQYCN-SSDOTTSWSA-N 0 1 277.151 2.657 20 30 CFEDMN C=CCC[C@H](C(=O)NOC1CCOCC1)c1ccccc1 ZINC000777820868 628254620 /nfs/dbraw/zinc/25/46/20/628254620.db2.gz NKIUIJOHEMCECT-INIZCTEOSA-N 0 1 289.375 2.963 20 30 CFEDMN Clc1ccnc(NN=Cc2ccc3c(c2)OCCO3)c1 ZINC000777906193 628263892 /nfs/dbraw/zinc/26/38/92/628263892.db2.gz GKRJQPAMZOLMGF-UHFFFAOYSA-N 0 1 289.722 2.952 20 30 CFEDMN C#CCOc1cccc(Cl)c1CNC[C@H]1CCCO1 ZINC000778151284 628280651 /nfs/dbraw/zinc/28/06/51/628280651.db2.gz LGDLRRASZMPESB-GFCCVEGCSA-N 0 1 279.767 2.621 20 30 CFEDMN C[C@H](NCc1ccc(F)nc1)c1cccc(C#N)c1 ZINC000778172625 628283451 /nfs/dbraw/zinc/28/34/51/628283451.db2.gz MGNUIMITSFXPKE-NSHDSACASA-N 0 1 255.296 2.943 20 30 CFEDMN C#CCOc1cccc(Cl)c1CNCC[C@@H](O)CC ZINC000778173570 628283456 /nfs/dbraw/zinc/28/34/56/628283456.db2.gz LSWOGVSTEZXISB-LBPRGKRZSA-N 0 1 281.783 2.603 20 30 CFEDMN CCC#C[C@H](C)N1CCC(Oc2cncc(Cl)n2)CC1 ZINC000778181832 628284779 /nfs/dbraw/zinc/28/47/79/628284779.db2.gz PFLJOEFAMUFOPT-LBPRGKRZSA-N 0 1 293.798 2.775 20 30 CFEDMN C=CC[C@@H](C(=O)OCc1n[nH]c(CC)n1)c1ccccc1 ZINC000778426555 628306825 /nfs/dbraw/zinc/30/68/25/628306825.db2.gz GHTZAABVBUTNDO-CYBMUJFWSA-N 0 1 285.347 2.770 20 30 CFEDMN Cc1cc(COC(=O)C(C)(C)N2CCCC2)ccc1C#N ZINC000805610574 628315670 /nfs/dbraw/zinc/31/56/70/628315670.db2.gz LEDWGROBTLYBRM-UHFFFAOYSA-N 0 1 286.375 2.784 20 30 CFEDMN C#C[C@H](Cc1ccccc1)OC(=O)[C@H](CC)N(CC)CC ZINC000778688269 628325055 /nfs/dbraw/zinc/32/50/55/628325055.db2.gz FYHIYPGHEXMKBX-SJORKVTESA-N 0 1 287.403 2.895 20 30 CFEDMN CC[C@@H](C(=O)O[C@@H](C)C(C)(C)C#N)N(CC)CC ZINC000778690913 628325755 /nfs/dbraw/zinc/32/57/55/628325755.db2.gz VREAAVQOYAYETC-RYUDHWBXSA-N 0 1 254.374 2.588 20 30 CFEDMN CC[C@H](C(=O)O[C@@H](C#N)C(C)(C)C)N(CC)CC ZINC000778711242 628326733 /nfs/dbraw/zinc/32/67/33/628326733.db2.gz JMAHHBDUYYXSRA-NEPJUHHUSA-N 0 1 254.374 2.588 20 30 CFEDMN CC[C@@H](C(=O)O[C@@H](C#N)C(C)(C)C)N(CC)CC ZINC000778711247 628327155 /nfs/dbraw/zinc/32/71/55/628327155.db2.gz JMAHHBDUYYXSRA-RYUDHWBXSA-N 0 1 254.374 2.588 20 30 CFEDMN CC[C@@H](C(=O)OCC(C)(C)CC#N)N(CC)CC ZINC000778729156 628328296 /nfs/dbraw/zinc/32/82/96/628328296.db2.gz KWWKPHJOVFAKRX-LBPRGKRZSA-N 0 1 254.374 2.590 20 30 CFEDMN CN1CCc2cc(C(=O)Nc3cc(C#N)ccc3O)ccc21 ZINC000779031282 628347984 /nfs/dbraw/zinc/34/79/84/628347984.db2.gz HZJMBYOFXPQYPD-UHFFFAOYSA-N 0 1 293.326 2.508 20 30 CFEDMN C#CCOc1cccc(Cl)c1CN1CCC[C@@H](CO)C1 ZINC000779148009 628355610 /nfs/dbraw/zinc/35/56/10/628355610.db2.gz KHBUADSFLARKCQ-CYBMUJFWSA-N 0 1 293.794 2.556 20 30 CFEDMN C#C[C@@](C)(CC)NCC(=O)N1CCSc2ccccc21 ZINC000852097970 634652109 /nfs/dbraw/zinc/65/21/09/634652109.db2.gz BHPHIKRJRMZUOA-INIZCTEOSA-N 0 1 288.416 2.517 20 30 CFEDMN CC(C)CN=NC1CCN(CCC(F)(F)F)CC1 ZINC000779785745 628404054 /nfs/dbraw/zinc/40/40/54/628404054.db2.gz PAQXDUVHWOXEQO-UHFFFAOYSA-N 0 1 265.323 2.636 20 30 CFEDMN C#CCCCCCC(=O)NCCN1CCc2ccccc2C1 ZINC000779801786 628407730 /nfs/dbraw/zinc/40/77/30/628407730.db2.gz XHSJCSKVQZVJCB-UHFFFAOYSA-N 0 1 298.430 2.745 20 30 CFEDMN COc1cccc(NN=C(C)c2ccc(C#N)s2)n1 ZINC000779818389 628410874 /nfs/dbraw/zinc/41/08/74/628410874.db2.gz YIZIZLOBJCSLMQ-UHFFFAOYSA-N 0 1 272.333 2.859 20 30 CFEDMN C#C[C@](C)(CC)N[C@H](C)c1cc(C)c(C(=O)OC)o1 ZINC000852101096 634655085 /nfs/dbraw/zinc/65/50/85/634655085.db2.gz LZJHGQRXZCVXAB-IAQYHMDHSA-N 0 1 263.337 2.827 20 30 CFEDMN Fc1ccc(Cn2cc(CN=Nc3ccccn3)cn2)cc1 ZINC000780196333 628438550 /nfs/dbraw/zinc/43/85/50/628438550.db2.gz RRUDNMIGHOAUNV-UHFFFAOYSA-N 0 1 295.321 2.912 20 30 CFEDMN CC1(C)C[C@@H](NN=Cc2cccc(Cl)c2O)CCO1 ZINC000780241345 628443140 /nfs/dbraw/zinc/44/31/40/628443140.db2.gz ODWFLLRTVPTJSD-NSHDSACASA-N 0 1 282.771 2.927 20 30 CFEDMN Cn1ncc(Cl)c1C=NNc1cc(Cl)ccn1 ZINC000780243180 628443461 /nfs/dbraw/zinc/44/34/61/628443461.db2.gz NUEVPEOIUXVVPP-UHFFFAOYSA-N 0 1 270.123 2.568 20 30 CFEDMN COc1ccc(N=NCc2ccc(O[C@H](C)C#N)cc2)nc1 ZINC000780267144 628448255 /nfs/dbraw/zinc/44/82/55/628448255.db2.gz FYSASWCYUYGHHE-GFCCVEGCSA-N 0 1 296.330 2.827 20 30 CFEDMN COc1ccsc1C(C)N=Nc1ccc(OC)cn1 ZINC000780270240 628448849 /nfs/dbraw/zinc/44/88/49/628448849.db2.gz ZQMZNXYITRZAJX-UHFFFAOYSA-N 0 1 277.349 2.996 20 30 CFEDMN COc1ccc(N=NCc2ccc(C)c(F)c2)nc1 ZINC000780275926 628449767 /nfs/dbraw/zinc/44/97/67/628449767.db2.gz HXDLZSXSESEWRQ-UHFFFAOYSA-N 0 1 259.284 2.984 20 30 CFEDMN C#C[C@](C)(CC)N[C@@H](CCCC)C(=O)Nc1cc(C)on1 ZINC000852101541 634656437 /nfs/dbraw/zinc/65/64/37/634656437.db2.gz RVMQCGLBLLAEKG-XJKSGUPXSA-N 0 1 291.395 2.872 20 30 CFEDMN C[C@@H](NCc1ccc(C#N)cn1)c1ccc(F)cc1 ZINC000780329598 628455433 /nfs/dbraw/zinc/45/54/33/628455433.db2.gz LIRQWJDBCMHZKY-LLVKDONJSA-N 0 1 255.296 2.943 20 30 CFEDMN C#C[C@@](C)(CC)NCc1ccc(C(F)(F)F)cn1 ZINC000852104010 634658724 /nfs/dbraw/zinc/65/87/24/634658724.db2.gz YLNLUMNSTHIUSN-LBPRGKRZSA-N 0 1 256.271 2.992 20 30 CFEDMN C#C[C@@](C)(CC)NCc1cc(Br)cnc1OC ZINC000852104292 634659110 /nfs/dbraw/zinc/65/91/10/634659110.db2.gz GKIBZNBHUBKSMC-ZDUSSCGKSA-N 0 1 297.196 2.744 20 30 CFEDMN Oc1c(F)cc(C=NNc2ccnc(F)c2)cc1F ZINC000781125188 628523744 /nfs/dbraw/zinc/52/37/44/628523744.db2.gz UKFSYSNLBMCVRA-UHFFFAOYSA-N 0 1 267.210 2.651 20 30 CFEDMN C[C@@H](NCC[S@](=O)C(C)(C)C)c1ccc(C#N)cc1F ZINC000781420489 628547057 /nfs/dbraw/zinc/54/70/57/628547057.db2.gz AQVMGFDHOHKHEP-GIPWTMENSA-N 0 1 296.411 2.895 20 30 CFEDMN O=C1c2ccccc2CN1N=Cc1cc(F)c(O)c(F)c1 ZINC000781595529 628563621 /nfs/dbraw/zinc/56/36/21/628563621.db2.gz SGESYUSDHUYAIO-UHFFFAOYSA-N 0 1 288.253 2.660 20 30 CFEDMN C#CCCCN[C@H](c1ccn(C)n1)c1ccc(F)cc1 ZINC000781895868 628589942 /nfs/dbraw/zinc/58/99/42/628589942.db2.gz FSXJQSZWYHHUPH-INIZCTEOSA-N 0 1 271.339 2.652 20 30 CFEDMN N#CCC1CCN(C[C@H](O)c2ccc(F)cc2F)CC1 ZINC000782087926 628603766 /nfs/dbraw/zinc/60/37/66/628603766.db2.gz IEANCYMXYCELOS-HNNXBMFYSA-N 0 1 280.318 2.624 20 30 CFEDMN CCOc1ccc(C=NNc2cc(C)ncn2)cc1F ZINC000782231649 628617844 /nfs/dbraw/zinc/61/78/44/628617844.db2.gz XLRMRJGEAPNXMC-UHFFFAOYSA-N 0 1 274.299 2.769 20 30 CFEDMN C[C@H]1Cc2ccccc2[C@@H]1NCc1ccc(C#N)cn1 ZINC000783300487 628698823 /nfs/dbraw/zinc/69/88/23/628698823.db2.gz NGIMMCGRMSRHCS-YVEFUNNKSA-N 0 1 263.344 2.976 20 30 CFEDMN C[C@@H](NCc1ccc(C#N)cn1)c1ccc2c(c1)COC2 ZINC000783301063 628698890 /nfs/dbraw/zinc/69/88/90/628698890.db2.gz SOBCCCFJOMVNHX-GFCCVEGCSA-N 0 1 279.343 2.834 20 30 CFEDMN C=CCS(=O)(=O)CCN[C@@H](C)c1cc(C)ccc1C ZINC000783530580 628717623 /nfs/dbraw/zinc/71/76/23/628717623.db2.gz BYRVASVAZZDYQC-AWEZNQCLSA-N 0 1 281.421 2.555 20 30 CFEDMN C=CCS(=O)(=O)CCN[C@@H]1CCc2c1cccc2Cl ZINC000783535873 628717971 /nfs/dbraw/zinc/71/79/71/628717971.db2.gz IHNBVOMDACHGNB-CQSZACIVSA-N 0 1 299.823 2.518 20 30 CFEDMN C=CCS(=O)(=O)CCN[C@H]1CCc2ccc(Cl)cc21 ZINC000783533381 628718135 /nfs/dbraw/zinc/71/81/35/628718135.db2.gz ZDRUTURAYGAUGP-AWEZNQCLSA-N 0 1 299.823 2.518 20 30 CFEDMN CC(C)(C)OC(=O)CCNN=Cc1cccc(Cl)c1O ZINC000783869056 628751756 /nfs/dbraw/zinc/75/17/56/628751756.db2.gz RXAGJXKQLQZXIR-UHFFFAOYSA-N 0 1 298.770 2.701 20 30 CFEDMN CCc1ccc(NC(=O)C(C#N)C(=O)[C@@H](F)C(C)C)cc1 ZINC000784490257 628821341 /nfs/dbraw/zinc/82/13/41/628821341.db2.gz DSMVOHKBECLISY-KBPBESRZSA-N 0 1 290.338 2.890 20 30 CFEDMN N#Cc1cccc(COC(=O)c2cccc3[nH]ncc32)c1F ZINC000785595772 628896900 /nfs/dbraw/zinc/89/69/00/628896900.db2.gz UAOHBJSCESJUOS-UHFFFAOYSA-N 0 1 295.273 2.931 20 30 CFEDMN C#CCN(Cc1cccnc1OC)C1CCCCC1 ZINC000785668976 628902695 /nfs/dbraw/zinc/90/26/95/628902695.db2.gz CGKIOFNBDXHYOF-UHFFFAOYSA-N 0 1 258.365 2.858 20 30 CFEDMN C=CCCCCCN1CCN(C2=NC[C@@H](C)S2)CC1 ZINC000785756793 628911134 /nfs/dbraw/zinc/91/11/34/628911134.db2.gz NDHATCPASHFORY-CQSZACIVSA-N 0 1 281.469 2.842 20 30 CFEDMN C=C(CC)C[N@H+]1CC[C@H](C)[C@H]([N-]C(=O)C(F)(F)F)[C@@H]1C ZINC000805788758 628917590 /nfs/dbraw/zinc/91/75/90/628917590.db2.gz RXEDDSSMRSKHMJ-SRVKXCTJSA-N 0 1 292.345 2.730 20 30 CFEDMN C=C[C@@H]1CCCCN1C[C@H](O)c1cc(OC)ccc1OC ZINC000785997210 628929183 /nfs/dbraw/zinc/92/91/83/628929183.db2.gz KBVZPIYIZBGXNH-CJNGLKHVSA-N 0 1 291.391 2.778 20 30 CFEDMN Cc1nn(-c2ccncc2)cc1C=NNC1CCCCC1 ZINC000786042016 628932529 /nfs/dbraw/zinc/93/25/29/628932529.db2.gz GQEBOTLUNHCINL-UHFFFAOYSA-N 0 1 283.379 2.832 20 30 CFEDMN C=CCCN(C)CN1C[C@H](c2ccccc2C)CC1=O ZINC000786101058 628937279 /nfs/dbraw/zinc/93/72/79/628937279.db2.gz ILUHDUHEYGAUPX-OAHLLOKOSA-N 0 1 272.392 2.776 20 30 CFEDMN N#C[C@H](C(=O)[C@H]1CCCOCC1)c1cnc2ccccc2n1 ZINC000786521308 628965459 /nfs/dbraw/zinc/96/54/59/628965459.db2.gz UTJVCEAUSNBOCJ-STQMWFEESA-N 0 1 295.342 2.623 20 30 CFEDMN N#C[C@@]1(F)CCN(Cc2cc(Cl)cc(F)c2O)C1 ZINC000786579301 628969468 /nfs/dbraw/zinc/96/94/68/628969468.db2.gz ONQXEWXXXDFZHM-LBPRGKRZSA-N 0 1 272.682 2.622 20 30 CFEDMN C#C[C@H](N[C@@H](C)c1cnn(C(C)(C)C)c1C)[C@@H]1CCCO1 ZINC000786936732 628985425 /nfs/dbraw/zinc/98/54/25/628985425.db2.gz WHVDXNYTBOSIGH-RCBQFDQVSA-N 0 1 289.423 2.778 20 30 CFEDMN CC(C)(C)CCCCC(=O)C(C#N)C(=O)NC1CC1 ZINC000805855601 629038953 /nfs/dbraw/zinc/03/89/53/629038953.db2.gz KKLBFCRSSMBYLE-LBPRGKRZSA-N 0 1 264.369 2.580 20 30 CFEDMN COc1ncc(C(C)N=Nc2ccccn2)cc1Cl ZINC000788965484 629111871 /nfs/dbraw/zinc/11/18/71/629111871.db2.gz QMOHFCRETMBTJL-UHFFFAOYSA-N 0 1 276.727 2.975 20 30 CFEDMN COCC(=NNc1ccc(F)cn1)c1ccccc1 ZINC000790162247 629215116 /nfs/dbraw/zinc/21/51/16/629215116.db2.gz TYVZPOFAXWEKJJ-UHFFFAOYSA-N 0 1 259.284 2.683 20 30 CFEDMN Cc1cccnc1N=NCc1ccc(C(=O)NC2CC2)cc1 ZINC000790187317 629217352 /nfs/dbraw/zinc/21/73/52/629217352.db2.gz UHCJIIUSBWYRFQ-UHFFFAOYSA-N 0 1 294.358 2.728 20 30 CFEDMN COc1ccc(CN=Nc2ncccc2C)cc1F ZINC000790185721 629217684 /nfs/dbraw/zinc/21/76/84/629217684.db2.gz LOEXGNOLOUXGJV-UHFFFAOYSA-N 0 1 259.284 2.984 20 30 CFEDMN Cc1ccc2c(c1C)NC(=O)C2=NNc1ncccc1C ZINC000790192708 629218576 /nfs/dbraw/zinc/21/85/76/629218576.db2.gz BHLWAVOQCTZDRA-UHFFFAOYSA-N 0 1 280.331 2.775 20 30 CFEDMN Cc1cccnc1NN=C1CCc2cc(O)ccc21 ZINC000790192763 629218705 /nfs/dbraw/zinc/21/87/05/629218705.db2.gz DSGXEEKDKOJQJH-UHFFFAOYSA-N 0 1 253.305 2.858 20 30 CFEDMN Cc1cccnc1N=NCc1ccc2c(c1)ncn2C ZINC000790192726 629218715 /nfs/dbraw/zinc/21/87/15/629218715.db2.gz BZOURSAGUKPCQC-UHFFFAOYSA-N 0 1 265.320 2.723 20 30 CFEDMN CCOC(=O)c1ccc(C=NNc2ncccc2C)o1 ZINC000790193223 629218746 /nfs/dbraw/zinc/21/87/46/629218746.db2.gz YXWNMDAZXZMASJ-UHFFFAOYSA-N 0 1 273.292 2.606 20 30 CFEDMN Cn1cc[nH+]c1[N-]N=Cc1cc(F)cc2cccnc12 ZINC000790299986 629227615 /nfs/dbraw/zinc/22/76/15/629227615.db2.gz NPCDNXDRBLWVJG-UHFFFAOYSA-N 0 1 269.283 2.553 20 30 CFEDMN Cn1cc[nH+]c1[N-]N=C1CC(C)(C)c2ccc([N+](=O)[O-])cc21 ZINC000790301753 629228033 /nfs/dbraw/zinc/22/80/33/629228033.db2.gz IHUIIIBFXIIXIQ-UHFFFAOYSA-N 0 1 299.334 2.826 20 30 CFEDMN CCCCn1nc(C)c(C=NNc2nccn2C)c1Cl ZINC000790301641 629228330 /nfs/dbraw/zinc/22/83/30/629228330.db2.gz HGHAMHQUZFOWID-UHFFFAOYSA-N 0 1 294.790 2.825 20 30 CFEDMN Cn1ccnc1N=NCc1cccc2c1OC(C)(C)C2 ZINC000790305170 629228995 /nfs/dbraw/zinc/22/89/95/629228995.db2.gz BWIXZTAWRXTPJN-UHFFFAOYSA-N 0 1 270.336 2.580 20 30 CFEDMN Cn1cc[nH+]c1[N-]N=Cc1cccc2c1OC(C)(C)C2 ZINC000790305170 629228996 /nfs/dbraw/zinc/22/89/96/629228996.db2.gz BWIXZTAWRXTPJN-UHFFFAOYSA-N 0 1 270.336 2.580 20 30 CFEDMN Cn1ccnc1NN=C1CC(C)(C)Oc2ccccc21 ZINC000790305700 629229193 /nfs/dbraw/zinc/22/91/93/629229193.db2.gz NEMISNMOEFCTDY-UHFFFAOYSA-N 0 1 270.336 2.797 20 30 CFEDMN C#CCOc1ccccc1OC(=O)c1ccc2cncn2c1 ZINC000790458118 629241095 /nfs/dbraw/zinc/24/10/95/629241095.db2.gz CFEVSJVWKQYKMS-UHFFFAOYSA-N 0 1 292.294 2.566 20 30 CFEDMN N#CC[C@@H]1CCCN(C[C@@H]2CN(c3ccccc3)C(=O)O2)C1 ZINC000852319713 634719682 /nfs/dbraw/zinc/71/96/82/634719682.db2.gz RCTSLWWXTNCYBZ-GOEBONIOSA-N 0 1 299.374 2.637 20 30 CFEDMN N#CC[C@H]1CCCN(CC2(Br)CC2)C1 ZINC000852319725 634720944 /nfs/dbraw/zinc/72/09/44/634720944.db2.gz BRYUPNVBFTVQHS-SNVBAGLBSA-N 0 1 257.175 2.540 20 30 CFEDMN CC[C@@H](C)CC(=O)OCC(=O)[C@H](C#N)c1nc(C)cs1 ZINC000791501943 629323282 /nfs/dbraw/zinc/32/32/82/629323282.db2.gz FHEJULTXVDQRJZ-KOLCDFICSA-N 0 1 294.376 2.607 20 30 CFEDMN CC[C@@H](C)CC(=O)OCC(=O)C(C#N)c1nc(C)cs1 ZINC000791501943 629323287 /nfs/dbraw/zinc/32/32/87/629323287.db2.gz FHEJULTXVDQRJZ-KOLCDFICSA-N 0 1 294.376 2.607 20 30 CFEDMN Cc1csc([C@H](C#N)C(=O)CCCC(=O)C2CC2)n1 ZINC000835038084 629331194 /nfs/dbraw/zinc/33/11/94/629331194.db2.gz UKHZHQUHDZNLCZ-LLVKDONJSA-N 0 1 276.361 2.777 20 30 CFEDMN CCCCCNC(=O)C(C#N)C(=O)[C@H]1CCC[C@@H]1CC ZINC000835057140 629362316 /nfs/dbraw/zinc/36/23/16/629362316.db2.gz RCWMLAVIWOQELA-MELADBBJSA-N 0 1 278.396 2.828 20 30 CFEDMN N#CC(C(=O)[C@@H]1CCN(c2ccccc2)C1)c1ccccn1 ZINC000835061635 629365047 /nfs/dbraw/zinc/36/50/47/629365047.db2.gz UBLGGBIWHCZQBY-ZBFHGGJFSA-N 0 1 291.354 2.784 20 30 CFEDMN CCc1ccc(NC(=O)C(C#N)C(=O)[C@H]2CC2(F)F)cc1 ZINC000835062908 629366270 /nfs/dbraw/zinc/36/62/70/629366270.db2.gz STGKANMFNOVKML-NWDGAFQWSA-N 0 1 292.285 2.552 20 30 CFEDMN C=CCN(C[C@H](O)c1ccc(F)cc1F)[C@@H](C)COC ZINC000852358537 634732608 /nfs/dbraw/zinc/73/26/08/634732608.db2.gz VWSNLFRTGOUHMK-NHYWBVRUSA-N 0 1 285.334 2.521 20 30 CFEDMN CC(C)CO[C@H](C)C(=O)C(C#N)c1cnc2ccccc2n1 ZINC000792110952 629399099 /nfs/dbraw/zinc/39/90/99/629399099.db2.gz VURYNPVUHJDFFI-CHWSQXEVSA-N 0 1 297.358 2.867 20 30 CFEDMN CCCCCCCCCN1CCN(C(C)(C)C(N)=O)CC1 ZINC000792241340 629413393 /nfs/dbraw/zinc/41/33/93/629413393.db2.gz LMTUXXUQEFEVGB-UHFFFAOYSA-N 0 1 297.487 2.619 20 30 CFEDMN C#CCCN1CCN(c2cccc(Br)c2)CC1 ZINC000792932905 629467399 /nfs/dbraw/zinc/46/73/99/629467399.db2.gz FQGBOCCKWJXWJO-UHFFFAOYSA-N 0 1 293.208 2.594 20 30 CFEDMN CC[C@@H](C#N)Oc1cccc(CNCC2(F)CC2)c1 ZINC000792989310 629473910 /nfs/dbraw/zinc/47/39/10/629473910.db2.gz ZCKHQXNADLTJPY-ZDUSSCGKSA-N 0 1 262.328 2.959 20 30 CFEDMN CN(C)c1ncc(C=NNCC2(C)CCCC2)s1 ZINC000793089606 629486217 /nfs/dbraw/zinc/48/62/17/629486217.db2.gz KDKCQNMJLUUMEU-UHFFFAOYSA-N 0 1 266.414 2.713 20 30 CFEDMN C[C@H](NN=Cc1ccc(N2CCOCC2)s1)C(C)(C)C ZINC000793112936 629488526 /nfs/dbraw/zinc/48/85/26/629488526.db2.gz YFOFTUOPZBNIGI-LBPRGKRZSA-N 0 1 295.452 2.943 20 30 CFEDMN CCOC1(C(=O)C(C#N)c2nc(C)cs2)CCCC1 ZINC000793119097 629490126 /nfs/dbraw/zinc/49/01/26/629490126.db2.gz YTYXJADGRUVTKD-LLVKDONJSA-N 0 1 278.377 2.977 20 30 CFEDMN N#CC(C(=O)CC1OCCCO1)c1ccc2ccccc2n1 ZINC000793119539 629490132 /nfs/dbraw/zinc/49/01/32/629490132.db2.gz LXXBGZPZOJEVFT-ZDUSSCGKSA-N 0 1 296.326 2.564 20 30 CFEDMN Cc1ncc(CN=Nc2cccc(Cl)n2)s1 ZINC000793162211 629494939 /nfs/dbraw/zinc/49/49/39/629494939.db2.gz SFRUXDVYPCEIJA-UHFFFAOYSA-N 0 1 252.730 2.946 20 30 CFEDMN C#CC[C@@H](OC(=O)c1ccc(-c2nnc[nH]2)cc1)C(C)C ZINC000793163641 629495952 /nfs/dbraw/zinc/49/59/52/629495952.db2.gz JJAZBAWKMIRPPO-CQSZACIVSA-N 0 1 283.331 2.676 20 30 CFEDMN CC[C@@H](C)CON=Cc1ccc(N(C)CCOC)nc1 ZINC000793164016 629495963 /nfs/dbraw/zinc/49/59/63/629495963.db2.gz PTOVYWRCXXIGDY-CYBMUJFWSA-N 0 1 279.384 2.561 20 30 CFEDMN Cc1nn(C)c(Cl)c1CN=Nc1cccc(Cl)n1 ZINC000793173823 629498419 /nfs/dbraw/zinc/49/84/19/629498419.db2.gz DOBZDPFTGXLUJD-UHFFFAOYSA-N 0 1 284.150 2.876 20 30 CFEDMN CC(C)(C)OC(=O)N1CC(N(CCCC#N)C2CCC2)C1 ZINC000852446471 634748277 /nfs/dbraw/zinc/74/82/77/634748277.db2.gz HZYIMHHEABKCCZ-UHFFFAOYSA-N 0 1 293.411 2.764 20 30 CFEDMN N#C[C@@H](C(=O)C1(C2CCC2)CCC1)c1ccncn1 ZINC000835302522 629608337 /nfs/dbraw/zinc/60/83/37/629608337.db2.gz LNRLAVNEGLPDCK-GFCCVEGCSA-N 0 1 255.321 2.623 20 30 CFEDMN CCC(CC)C(=O)C(C#N)C(=O)NCc1cccc(C)c1 ZINC000835339695 629642063 /nfs/dbraw/zinc/64/20/63/629642063.db2.gz GNUHFZXRUKAQOT-HNNXBMFYSA-N 0 1 286.375 2.756 20 30 CFEDMN COc1ccc(N=NCc2cnccc2C)c([N+](=O)[O-])c1 ZINC000794523615 629653727 /nfs/dbraw/zinc/65/37/27/629653727.db2.gz PUIBEOJUGJSZNS-UHFFFAOYSA-N 0 1 286.291 2.753 20 30 CFEDMN CC(C)[C@H](NCC1(C#N)CC1)[C@H](O)c1ccccc1 ZINC000794604694 629667211 /nfs/dbraw/zinc/66/72/11/629667211.db2.gz MUUJKAONAHXJOM-LSDHHAIUSA-N 0 1 258.365 2.638 20 30 CFEDMN CN(C)Cc1cnc(/C=C/C(=O)c2ccccc2O)s1 ZINC000794700235 629676548 /nfs/dbraw/zinc/67/65/48/629676548.db2.gz HZERSESMPJWLEM-BQYQJAHWSA-N 0 1 288.372 2.806 20 30 CFEDMN Cc1cnn(C)c1/C=C/C(=O)c1ccc(C)cc1O ZINC000794702690 629676775 /nfs/dbraw/zinc/67/67/75/629676775.db2.gz RJWCSTKCBTXKJR-VOTSOKGWSA-N 0 1 256.305 2.639 20 30 CFEDMN O=C(/C=C/c1cc(O)ccc1[N+](=O)[O-])c1ccnc(F)c1 ZINC000794720850 629679537 /nfs/dbraw/zinc/67/95/37/629679537.db2.gz IGTUOOGYZHSFPE-DAFODLJHSA-N 0 1 288.234 2.731 20 30 CFEDMN C[C@H](NCc1cccnc1F)c1ccc(OCC#N)cc1 ZINC000794828087 629690952 /nfs/dbraw/zinc/69/09/52/629690952.db2.gz JZTHJQFWLOHYBB-LBPRGKRZSA-N 0 1 285.322 2.974 20 30 CFEDMN Cc1cnn(C)c1C=NNc1ccc(C(F)(F)F)cn1 ZINC000794867115 629697385 /nfs/dbraw/zinc/69/73/85/629697385.db2.gz ZQVYWGOWDFSRMJ-UHFFFAOYSA-N 0 1 283.257 2.588 20 30 CFEDMN CC(=NN=c1[nH]c2ccccc2n1C)c1ccnc(F)c1 ZINC000794896135 629700871 /nfs/dbraw/zinc/70/08/71/629700871.db2.gz VODSUJBCGVYRNY-UHFFFAOYSA-N 0 1 283.310 2.944 20 30 CFEDMN Cc1nc2ccc(CN=Nc3cncnc3)cc2s1 ZINC000794973202 629712781 /nfs/dbraw/zinc/71/27/81/629712781.db2.gz RRSPKCCQQFBZEO-UHFFFAOYSA-N 0 1 269.333 2.841 20 30 CFEDMN Fc1ccc(CN=Nc2cncnc2)c(Br)c1 ZINC000794977225 629714439 /nfs/dbraw/zinc/71/44/39/629714439.db2.gz YCLNLUQCRKDUJP-UHFFFAOYSA-N 0 1 295.115 2.824 20 30 CFEDMN CCc1noc(C)c1C(C)=NNc1ncccc1F ZINC000794990076 629718445 /nfs/dbraw/zinc/71/84/45/629718445.db2.gz MTXBAHSPFLVVSE-UHFFFAOYSA-N 0 1 262.288 2.916 20 30 CFEDMN C=CCN1C(=O)C(=NNc2ncccc2F)c2ccccc21 ZINC000794989767 629718486 /nfs/dbraw/zinc/71/84/86/629718486.db2.gz CCLFHJKCLVZHLK-UHFFFAOYSA-N 0 1 296.305 2.570 20 30 CFEDMN Fc1ccc2c(c1)C(N=Nc1cccc(F)n1)CO2 ZINC000795007690 629723740 /nfs/dbraw/zinc/72/37/40/629723740.db2.gz MHYSDANPNUKFOT-UHFFFAOYSA-N 0 1 261.231 2.568 20 30 CFEDMN C[C@@H](CC(=O)C(C#N)C(=O)N1CCCC1)C1CCCCC1 ZINC000102117590 629753071 /nfs/dbraw/zinc/75/30/71/629753071.db2.gz IHYNYHPARCYHBI-ZFWWWQNUSA-N 0 1 290.407 2.924 20 30 CFEDMN Cc1nc(CON=C(c2ccccc2)C(F)(F)F)n[nH]1 ZINC000795525378 629792967 /nfs/dbraw/zinc/79/29/67/629792967.db2.gz JBGBETAPDVPUBI-UHFFFAOYSA-N 0 1 284.241 2.596 20 30 CFEDMN C=C[C@@](C)(CC)C(=O)OCc1nc(C(C)C)n[nH]1 ZINC000795530042 629794914 /nfs/dbraw/zinc/79/49/14/629794914.db2.gz IUOUABZRTSEGMO-ZDUSSCGKSA-N 0 1 251.330 2.574 20 30 CFEDMN C=C[C@@](C)(CC)C(=O)OCc1n[nH]c(C(C)C)n1 ZINC000795530042 629794918 /nfs/dbraw/zinc/79/49/18/629794918.db2.gz IUOUABZRTSEGMO-ZDUSSCGKSA-N 0 1 251.330 2.574 20 30 CFEDMN CO[C@H](C(=O)C(C#N)c1nc(C(C)C)cs1)C1CC1 ZINC000796746498 629959523 /nfs/dbraw/zinc/95/95/23/629959523.db2.gz OXGAOKAQTWVOCV-GWCFXTLKSA-N 0 1 278.377 2.868 20 30 CFEDMN CC[C@H](C)CCC(=O)C(C#N)C(=O)Nc1ccccn1 ZINC000796816847 629971377 /nfs/dbraw/zinc/97/13/77/629971377.db2.gz LAPONSPJWZIVCM-NWDGAFQWSA-N 0 1 273.336 2.555 20 30 CFEDMN CC[C@H](C)[C@H](OC)C(=O)C(C#N)c1cnc2ccccc2n1 ZINC000796900763 629986513 /nfs/dbraw/zinc/98/65/13/629986513.db2.gz QSTCZSMLPXCPHD-JKDFXYPNSA-N 0 1 297.358 2.867 20 30 CFEDMN N#C[C@H](C(=O)[C@@H]1CC[C@H](C(F)(F)F)C1)c1ccncn1 ZINC000797316056 630055355 /nfs/dbraw/zinc/05/53/55/630055355.db2.gz YEIIQOGDRXRHQW-UTLUCORTSA-N 0 1 283.253 2.631 20 30 CFEDMN N#C[C@H](C(=O)[C@H]1CC[C@@H](C(F)(F)F)C1)c1ccncn1 ZINC000797316053 630055771 /nfs/dbraw/zinc/05/57/71/630055771.db2.gz YEIIQOGDRXRHQW-AEJSXWLSSA-N 0 1 283.253 2.631 20 30 CFEDMN Cc1nn(C(C)C)cc1CN=Nc1ccc(C)cn1 ZINC000799111486 630275823 /nfs/dbraw/zinc/27/58/23/630275823.db2.gz FDJODFJJFSNMJG-UHFFFAOYSA-N 0 1 257.341 2.922 20 30 CFEDMN FC(F)(F)c1cc(CN=Nc2ncccc2Cl)n[nH]1 ZINC000799476834 630312282 /nfs/dbraw/zinc/31/22/82/630312282.db2.gz AGONAKASTRHMTR-UHFFFAOYSA-N 0 1 289.648 2.923 20 30 CFEDMN CC(=NNc1ncnc2ccsc21)c1cnoc1C ZINC000799483906 630313365 /nfs/dbraw/zinc/31/33/65/630313365.db2.gz WXEMOMDSHQAFOW-UHFFFAOYSA-N 0 1 273.321 2.824 20 30 CFEDMN Cc1nc(C(C)N=Nc2cc(F)c(F)c(F)c2)cn1C ZINC000800813786 630407694 /nfs/dbraw/zinc/40/76/94/630407694.db2.gz JICBPICTQQDTLC-UHFFFAOYSA-N 0 1 282.269 2.982 20 30 CFEDMN COC(=O)c1c(F)cccc1N=NC(C)c1ccncc1 ZINC000800818239 630408416 /nfs/dbraw/zinc/40/84/16/630408416.db2.gz OJYAHMRTYSUWHB-UHFFFAOYSA-N 0 1 287.294 2.843 20 30 CFEDMN Cc1cc(C)cc([C@@H](O)CNCc2ccc(C#N)o2)c1 ZINC000800898171 630415803 /nfs/dbraw/zinc/41/58/03/630415803.db2.gz SSGSQLLAPOJAQG-INIZCTEOSA-N 0 1 270.332 2.591 20 30 CFEDMN CC(C)(C)CCCC(=O)C(C#N)C(=O)NC1CCCC1 ZINC000103640274 630429482 /nfs/dbraw/zinc/42/94/82/630429482.db2.gz UQUDRSUOZKWICT-CYBMUJFWSA-N 0 1 278.396 2.970 20 30 CFEDMN CC#CC(=O)Nc1ccc2nc(-c3ccccn3)[nH]c2c1 ZINC000801154982 630431104 /nfs/dbraw/zinc/43/11/04/630431104.db2.gz CSCTVDJGPKHTAK-UHFFFAOYSA-N 0 1 276.299 2.587 20 30 CFEDMN C#C[C@H](NC[C@@H](OC)c1ccc(Cl)cc1)[C@@H]1CCCO1 ZINC000801544159 630455699 /nfs/dbraw/zinc/45/56/99/630455699.db2.gz BOKPWXMKVMFOQA-HRCADAONSA-N 0 1 293.794 2.798 20 30 CFEDMN C=CCN(CCO[C@H](C)C#N)Cc1cccc([N+](=O)[O-])c1 ZINC000801914666 630486643 /nfs/dbraw/zinc/48/66/43/630486643.db2.gz ZVYACLUFVRFZPD-CYBMUJFWSA-N 0 1 289.335 2.511 20 30 CFEDMN C[C@@H](C#N)OCCN1CCS[C@H](c2ccccc2)C1 ZINC000801921750 630488519 /nfs/dbraw/zinc/48/85/19/630488519.db2.gz LJIFQNMPAGIGNZ-ZFWWWQNUSA-N 0 1 276.405 2.705 20 30 CFEDMN CC[C@](C)(NCCO[C@@H](C)C#N)c1nc(C)cs1 ZINC000801934114 630490936 /nfs/dbraw/zinc/49/09/36/630490936.db2.gz GNPKHEUIRCPCAH-AAEUAGOBSA-N 0 1 267.398 2.595 20 30 CFEDMN C[C@H](C#N)OCCN[C@@H](C)c1nc2ccccc2s1 ZINC000801941847 630492723 /nfs/dbraw/zinc/49/27/23/630492723.db2.gz ZHXFVYATMONLJD-MNOVXSKESA-N 0 1 275.377 2.876 20 30 CFEDMN C=CCN(CC1CCCCC1)CN1CC[C@H](C)C1=O ZINC000839997966 630602118 /nfs/dbraw/zinc/60/21/18/630602118.db2.gz XQMDJAREDITTAR-AWEZNQCLSA-N 0 1 264.413 2.881 20 30 CFEDMN C#CCCN(CCOC)Cc1cncc(C(F)(F)F)c1 ZINC000852748950 634823354 /nfs/dbraw/zinc/82/33/54/634823354.db2.gz MLDLRIGNLMWJQE-UHFFFAOYSA-N 0 1 286.297 2.572 20 30 CFEDMN CS[C@H]1CCN(Cn2ccc(-c3ccc(C#N)cc3)n2)C1 ZINC000840114150 630907567 /nfs/dbraw/zinc/90/75/67/630907567.db2.gz PGHPDPIENVSUDN-HNNXBMFYSA-N 0 1 298.415 2.817 20 30 CFEDMN C=CCOCC(=O)NCc1cc(Cl)cc(Cl)c1O ZINC000807837696 630912763 /nfs/dbraw/zinc/91/27/63/630912763.db2.gz AMHCQYLMOIQTEL-UHFFFAOYSA-N 0 1 290.146 2.518 20 30 CFEDMN CC[C@H]1CN(CC)CCN1C(=O)/C=C\c1ccccc1C#N ZINC000836948048 630921716 /nfs/dbraw/zinc/92/17/16/630921716.db2.gz NMEHBCRUJOJDSP-IBSYWUHOSA-N 0 1 297.402 2.514 20 30 CFEDMN C#CCCCCCC(=O)N1CCN(CC)C[C@H]1CC ZINC000836947904 630922247 /nfs/dbraw/zinc/92/22/47/630922247.db2.gz MUVOXVHWKMIBFY-OAHLLOKOSA-N 0 1 264.413 2.513 20 30 CFEDMN O=c1[nH]c(N=NCCCC2CC2)nc2ccccc21 ZINC000807977101 630929024 /nfs/dbraw/zinc/92/90/24/630929024.db2.gz DWGGKYMSZNHLDE-UHFFFAOYSA-N 0 1 256.309 2.923 20 30 CFEDMN C[C@@H]1CN(C2CC2)CC1N=Nc1nccnc1C1CCC1 ZINC000807992657 630932799 /nfs/dbraw/zinc/93/27/99/630932799.db2.gz JIENZHQSPVZLDW-LLVKDONJSA-N 0 1 285.395 2.626 20 30 CFEDMN N#Cc1nccnc1NCc1cc(Cl)cc(Cl)c1O ZINC000808090032 630949363 /nfs/dbraw/zinc/94/93/63/630949363.db2.gz PFPDMTOBDJRWFF-UHFFFAOYSA-N 0 1 295.129 2.973 20 30 CFEDMN C=CCCCN(C)CN1C(=O)C(C)(C)[C@H]1c1ccncc1 ZINC000808159209 630960913 /nfs/dbraw/zinc/96/09/13/630960913.db2.gz GHXHOVMYXLWUIW-OAHLLOKOSA-N 0 1 287.407 2.847 20 30 CFEDMN CN(C)[C@H](CNC(=O)C#CC(C)(C)C)c1ccsc1 ZINC000837332376 631002164 /nfs/dbraw/zinc/00/21/64/631002164.db2.gz IXDNRXOZFCHFLU-CYBMUJFWSA-N 0 1 278.421 2.517 20 30 CFEDMN CCN(CC)[C@H](CNC(=O)C#CC(C)(C)C)c1ccco1 ZINC000837370822 631015081 /nfs/dbraw/zinc/01/50/81/631015081.db2.gz XEHGCWNNDPZIGL-CQSZACIVSA-N 0 1 290.407 2.828 20 30 CFEDMN Cc1ccc2nc([C@H]3CCCN3C(=O)C#CC3CC3)[nH]c2c1 ZINC000837377034 631016889 /nfs/dbraw/zinc/01/68/89/631016889.db2.gz HDSFZQKMPOFIEL-MRXNPFEDSA-N 0 1 293.370 2.948 20 30 CFEDMN CCCCCCCCCNC(=O)N(C)Cc1nnc[nH]1 ZINC000837386907 631018226 /nfs/dbraw/zinc/01/82/26/631018226.db2.gz GNIJTUXCGFPJLB-UHFFFAOYSA-N 0 1 281.404 2.697 20 30 CFEDMN Cc1[nH]nc2cc(NC(=O)C#CC(C)(C)C)ccc12 ZINC000837510401 631050605 /nfs/dbraw/zinc/05/06/05/631050605.db2.gz ZXFVGSZOXKYYRJ-UHFFFAOYSA-N 0 1 255.321 2.859 20 30 CFEDMN C=CCCCON=C(N)CN1[C@@H](C)CCC[C@@H]1C ZINC000809374299 631219035 /nfs/dbraw/zinc/21/90/35/631219035.db2.gz IFWLBTADSCOPFZ-STQMWFEESA-N 0 1 253.390 2.714 20 30 CFEDMN C#Cc1ccc(CNCc2c(C)cc(C)nc2OC)cc1 ZINC000809613796 631246981 /nfs/dbraw/zinc/24/69/81/631246981.db2.gz BXUFBTMTINQOFN-UHFFFAOYSA-N 0 1 280.371 2.978 20 30 CFEDMN C#C[C@@H](CC)NCc1cc(OC)cc2c1O[C@@H](C)C2 ZINC000809686548 631262995 /nfs/dbraw/zinc/26/29/95/631262995.db2.gz YEPMMVQUZWQVOD-FZMZJTMJSA-N 0 1 259.349 2.520 20 30 CFEDMN C#Cc1ccc(CN2CC[C@H](C(F)(F)F)[C@@H](CO)C2)cc1 ZINC000809697177 631266141 /nfs/dbraw/zinc/26/61/41/631266141.db2.gz DCEBJLLFNNDQHR-CABCVRRESA-N 0 1 297.320 2.661 20 30 CFEDMN C#Cc1ccc(CN2CC[C@H](C(F)(F)F)[C@H](CO)C2)cc1 ZINC000809697178 631267109 /nfs/dbraw/zinc/26/71/09/631267109.db2.gz DCEBJLLFNNDQHR-GJZGRUSLSA-N 0 1 297.320 2.661 20 30 CFEDMN C#C[C@H](NCc1cn2cc(C)ccc2n1)C(C)(C)C ZINC000809781131 631288109 /nfs/dbraw/zinc/28/81/09/631288109.db2.gz HSZRGVRNSDUSPB-AWEZNQCLSA-N 0 1 255.365 2.780 20 30 CFEDMN C[C@H](C[C@H](O)c1cccs1)NCc1nc(C#N)cs1 ZINC000810152040 631335819 /nfs/dbraw/zinc/33/58/19/631335819.db2.gz KVTHVCQRPASJQX-KOLCDFICSA-N 0 1 293.417 2.678 20 30 CFEDMN Cn1c2ccccc2nc1C(C#N)C(=O)C1(CCF)CC1 ZINC000810519949 631380006 /nfs/dbraw/zinc/38/00/06/631380006.db2.gz ONACYIWFCDSTCI-NSHDSACASA-N 0 1 285.322 2.889 20 30 CFEDMN Cn1c2ccccc2nc1C(C#N)C(=O)[C@H]1CCCSC1 ZINC000810519192 631380125 /nfs/dbraw/zinc/38/01/25/631380125.db2.gz APXNTUUGVGMYIW-NWDGAFQWSA-N 0 1 299.399 2.893 20 30 CFEDMN C#CC[C@@H](OC(=O)[C@]1(F)CCN(C(C)(C)C)C1)C(C)C ZINC000810605305 631400431 /nfs/dbraw/zinc/40/04/31/631400431.db2.gz HCQDNEJGALZQJF-CJNGLKHVSA-N 0 1 283.387 2.790 20 30 CFEDMN CCC(N=Nc1cn[nH]c(=O)c1Cl)[C@@H]1C[C@H]1C ZINC000841617119 631432313 /nfs/dbraw/zinc/43/23/13/631432313.db2.gz VMFKSXAGGHPRPV-RNFRBKRXSA-N 0 1 254.721 2.670 20 30 CFEDMN Cc1cccc2c1C(=NN=c1cc[nH]c(N(C)C)n1)CC2 ZINC000841626994 631436214 /nfs/dbraw/zinc/43/62/14/631436214.db2.gz XNIHTZIBJOLYOH-UHFFFAOYSA-N 0 1 281.363 2.613 20 30 CFEDMN COc1cc(C(=O)[O-])ccc1N[NH2+]C(C)=C1CC1(F)F ZINC000841633954 631438534 /nfs/dbraw/zinc/43/85/34/631438534.db2.gz YQNQRLQLOYSQHH-SECBINFHSA-N 0 1 284.262 2.836 20 30 CFEDMN C(=NNc1nccnc1C1CCC1)c1cnc(C2CC2)nc1 ZINC000841638679 631440537 /nfs/dbraw/zinc/44/05/37/631440537.db2.gz WNOSHEPLKDVGON-UHFFFAOYSA-N 0 1 294.362 2.858 20 30 CFEDMN C[C@@H]1[C@@H](C)[C@H](C)CN1Cn1cc2c(c(C#N)c1=O)CCCC2 ZINC000841688154 631451392 /nfs/dbraw/zinc/45/13/92/631451392.db2.gz CMBBHPHZDMXVMY-HZSPNIEDSA-N 0 1 299.418 2.533 20 30 CFEDMN C#C[C@H]([NH2+][C@@H](C)c1ccc(Cl)cc1[O-])[C@H]1CCCO1 ZINC000841751215 631465891 /nfs/dbraw/zinc/46/58/91/631465891.db2.gz GAZUPLIVJYEXOP-VZJVUDMVSA-N 0 1 279.767 2.877 20 30 CFEDMN C#Cc1ccccc1CC(=O)Nc1cc(C(C)=O)ccc1O ZINC000810918143 631474950 /nfs/dbraw/zinc/47/49/50/631474950.db2.gz BWPXMWSXDZRNLI-UHFFFAOYSA-N 0 1 293.322 2.757 20 30 CFEDMN C[C@H](CC(=O)Nc1ccc(F)cc1)NCC1(C#N)CCC1 ZINC000841897605 631490128 /nfs/dbraw/zinc/49/01/28/631490128.db2.gz FVCIPOFJLVHINV-GFCCVEGCSA-N 0 1 289.354 2.826 20 30 CFEDMN CC[C@H](NCc1nc(C#N)cs1)c1ccccc1O ZINC000842152290 631553897 /nfs/dbraw/zinc/55/38/97/631553897.db2.gz GHMMJYOWGRGIDD-LBPRGKRZSA-N 0 1 273.361 2.961 20 30 CFEDMN Cc1ccc(N=NC2CCN(Cc3ccccc3)[C@H]2C)nn1 ZINC000811641440 631590811 /nfs/dbraw/zinc/59/08/11/631590811.db2.gz CMFWARNLUPYLBB-AWEZNQCLSA-N 0 1 295.390 2.847 20 30 CFEDMN C[C@@H]1C(N=Nc2cncnc2)CCN1Cc1ccccc1 ZINC000811647819 631592801 /nfs/dbraw/zinc/59/28/01/631592801.db2.gz CHGQPLAQPWCWIT-CYBMUJFWSA-N 0 1 281.363 2.539 20 30 CFEDMN CC(C)N(C)c1ccc(C=NNC[C@@H]2CCSC2)cn1 ZINC000811660042 631598911 /nfs/dbraw/zinc/59/89/11/631598911.db2.gz FGGFSLDBRFRSFN-AWEZNQCLSA-N 0 1 292.452 2.603 20 30 CFEDMN Cl/C=C\CON=Cc1cc(-c2cccnc2)[nH]n1 ZINC000811670009 631603610 /nfs/dbraw/zinc/60/36/10/631603610.db2.gz MDDYYFVQSLHBOT-QPEIUNTNSA-N 0 1 262.700 2.575 20 30 CFEDMN CN(CCC#N)c1ccc(C=NNC23CC(C2)C3)cc1 ZINC000842546738 631661842 /nfs/dbraw/zinc/66/18/42/631661842.db2.gz ARVLHKQZNQZKFG-UHFFFAOYSA-N 0 1 268.364 2.512 20 30 CFEDMN C#CCOc1ccc(-c2nc([C@H](N)CC(C)C)no2)cc1 ZINC000842585615 631673574 /nfs/dbraw/zinc/67/35/74/631673574.db2.gz FAFWQVHAQBSRHJ-CQSZACIVSA-N 0 1 285.347 2.795 20 30 CFEDMN C#CC1CCN(Cn2nc(C)c3ccc([N+](=O)[O-])cc32)CC1 ZINC000842633465 631687401 /nfs/dbraw/zinc/68/74/01/631687401.db2.gz IJSGNOQLLQRXQE-UHFFFAOYSA-N 0 1 298.346 2.556 20 30 CFEDMN CC(C)(C)C[C@@H]1C[C@H]1C(=O)C(C#N)C(=O)NC1CCCC1 ZINC000842689442 631708143 /nfs/dbraw/zinc/70/81/43/631708143.db2.gz FZEDZNHMHKHOJI-IACUBPJLSA-N 0 1 290.407 2.826 20 30 CFEDMN COc1cccc(O)c1C=NNc1ccccc1[N+](=O)[O-] ZINC000812486447 631724984 /nfs/dbraw/zinc/72/49/84/631724984.db2.gz POERIGNDFZFGDD-UHFFFAOYSA-N 0 1 287.275 2.755 20 30 CFEDMN C#CCONC(=O)[C@@H](C)c1c(Cl)cccc1Cl ZINC000812783455 631774404 /nfs/dbraw/zinc/77/44/04/631774404.db2.gz PXUMLSQNIBXALW-QMMMGPOBSA-N 0 1 272.131 2.778 20 30 CFEDMN N#CC(C(=O)C=Cc1ccncn1)c1nc(C2CC2)cs1 ZINC000842946554 631790337 /nfs/dbraw/zinc/79/03/37/631790337.db2.gz WCODPIOAJRKGBJ-MVZIDQBPSA-N 0 1 296.355 2.700 20 30 CFEDMN CCC[C@H](NC[C@@H](C#N)CCC#N)[C@H](O)c1ccccc1 ZINC000843085836 631830832 /nfs/dbraw/zinc/83/08/32/631830832.db2.gz CRCXHFAPTBCBLJ-HYVNUMGLSA-N 0 1 285.391 2.922 20 30 CFEDMN C[C@H](C[C@@H](O)c1ccc(F)cc1)NC[C@@H](C#N)CCC#N ZINC000843100255 631834632 /nfs/dbraw/zinc/83/46/32/631834632.db2.gz HECSXCXMHQAFOZ-XJKCOSOUSA-N 0 1 289.354 2.671 20 30 CFEDMN CO[C@@H]1COC[C@H]1/N=C\c1cc(Cl)cc(Cl)c1O ZINC000843264379 631913220 /nfs/dbraw/zinc/91/32/20/631913220.db2.gz OHSGNURGVHHREV-YVOXEUBMSA-N 0 1 290.146 2.532 20 30 CFEDMN CCc1cc(C(=O)Nc2cc(C#N)ccc2O)ccc1O ZINC000813500660 631927325 /nfs/dbraw/zinc/92/73/25/631927325.db2.gz ISNOEYJZCFPKRY-UHFFFAOYSA-N 0 1 282.299 2.784 20 30 CFEDMN C#Cc1ccc(CN2CCOC[C@H]2C2CCC2)cc1 ZINC000843428321 631955308 /nfs/dbraw/zinc/95/53/08/631955308.db2.gz GORSNNIZJDZHGK-KRWDZBQOSA-N 0 1 255.361 2.669 20 30 CFEDMN CC1(C)Oc2ccsc2[C@H](N[C@@H]2CC[C@H](C#N)C2)[C@H]1O ZINC000813875358 631971154 /nfs/dbraw/zinc/97/11/54/631971154.db2.gz KIBFBTMBMOLKGL-HEQLZXTPSA-N 0 1 292.404 2.603 20 30 CFEDMN C#CC1CCN(C(=O)[C@H](c2ccccc2)N(CC)CC)CC1 ZINC000843706235 632033689 /nfs/dbraw/zinc/03/36/89/632033689.db2.gz NXNNVRFFWVFOTF-SFHVURJKSA-N 0 1 298.430 2.941 20 30 CFEDMN C#CC1CCN(C(=O)c2ccc(CN(CC)CC)o2)CC1 ZINC000843707767 632034914 /nfs/dbraw/zinc/03/49/14/632034914.db2.gz FBAVMDHBJGNAJK-UHFFFAOYSA-N 0 1 288.391 2.607 20 30 CFEDMN O=[N+]([O-])c1ccccc1NN=C1COc2cc(F)ccc21 ZINC000814685566 632108136 /nfs/dbraw/zinc/10/81/36/632108136.db2.gz JOFXLBDFYOGKCC-UHFFFAOYSA-N 0 1 287.250 2.943 20 30 CFEDMN Cc1c[nH]nc1C=NN=c1nc[nH]c2sc3c(c21)CCC3 ZINC000814725949 632114520 /nfs/dbraw/zinc/11/45/20/632114520.db2.gz GXRPJYKHGPNJAN-UHFFFAOYSA-N 0 1 298.375 2.658 20 30 CFEDMN Clc1cnc(NN=Cc2cncnc2)c(Cl)c1 ZINC000814740043 632116126 /nfs/dbraw/zinc/11/61/26/632116126.db2.gz GVQPSETZZITRAG-UHFFFAOYSA-N 0 1 268.107 2.624 20 30 CFEDMN C#CC[C@H]1CCCN(C(=O)c2cc3[nH]cnc3cc2F)C1 ZINC000844148469 632126783 /nfs/dbraw/zinc/12/67/83/632126783.db2.gz TYWHCLZBDOJMKF-NSHDSACASA-N 0 1 285.322 2.578 20 30 CFEDMN Cc1cc(N=NCc2c(Cl)nc(Cl)n2C)nc(C)n1 ZINC000814807105 632128927 /nfs/dbraw/zinc/12/89/27/632128927.db2.gz FXFJVTCTNHBCIQ-UHFFFAOYSA-N 0 1 299.165 2.580 20 30 CFEDMN CC(N=Nc1ccc(F)cn1)c1ccccc1C#N ZINC000814842336 632136832 /nfs/dbraw/zinc/13/68/32/632136832.db2.gz CUMIXBHGRUQOHR-UHFFFAOYSA-N 0 1 254.268 2.928 20 30 CFEDMN Fc1ccc(N=NC2COc3cc(F)ccc32)nc1 ZINC000814842701 632136923 /nfs/dbraw/zinc/13/69/23/632136923.db2.gz OVEUNVOTDMRXCN-UHFFFAOYSA-N 0 1 261.231 2.568 20 30 CFEDMN O=c1[nH]c(N=NC2CC[C@H]2C2CC2)nc2ccccc21 ZINC000814869092 632143022 /nfs/dbraw/zinc/14/30/22/632143022.db2.gz ROSTUZLLEVICFG-JTQLQIEISA-N 0 1 268.320 2.923 20 30 CFEDMN COc1ccc(NN=C2COc3ccccc32)c([N+](=O)[O-])c1 ZINC000814882280 632147674 /nfs/dbraw/zinc/14/76/74/632147674.db2.gz FVTLIYVUIHKDBU-UHFFFAOYSA-N 0 1 299.286 2.812 20 30 CFEDMN COC(=O)c1ccccc1NN=C(C)c1cccc(CO)c1 ZINC000814894056 632152525 /nfs/dbraw/zinc/15/25/25/632152525.db2.gz IJFCWCTXCWQVOA-UHFFFAOYSA-N 0 1 298.342 2.802 20 30 CFEDMN c1ccc(CCNN=C2CC[C@@H]3CNc4cccc2c43)nc1 ZINC000814925166 632166906 /nfs/dbraw/zinc/16/69/06/632166906.db2.gz UOVUATYCXNFQQA-CYBMUJFWSA-N 0 1 292.386 2.921 20 30 CFEDMN Cc1c(C=NNc2cncnc2)n(C)c2ccccc12 ZINC000814927046 632168767 /nfs/dbraw/zinc/16/87/67/632168767.db2.gz UXMVDQZEBSRGJN-UHFFFAOYSA-N 0 1 265.320 2.723 20 30 CFEDMN C[C@@H](c1cccc(C#N)c1)N(C)C[C@H]1CN(C2CC2)C(=O)O1 ZINC000844342901 632174866 /nfs/dbraw/zinc/17/48/66/632174866.db2.gz LFSOKBFSPBGICI-LRDDRELGSA-N 0 1 299.374 2.534 20 30 CFEDMN CC(=NNc1ccc(F)c(F)c1F)c1csc(N)n1 ZINC000814946845 632178012 /nfs/dbraw/zinc/17/80/12/632178012.db2.gz YVSAHKLYCNGOQY-UHFFFAOYSA-N 0 1 286.282 2.979 20 30 CFEDMN Fc1ccc(N=NC2CN3CCC2CC3)c(F)c1F ZINC000814946149 632178099 /nfs/dbraw/zinc/17/80/99/632178099.db2.gz FYUZTQXAVKFKHU-UHFFFAOYSA-N 0 1 269.270 2.597 20 30 CFEDMN Cc1ccc(C(C)C)c2c1C(N=Nc1cnnn1C)CCO2 ZINC000814979148 632183157 /nfs/dbraw/zinc/18/31/57/632183157.db2.gz BLCJTHIRJNUYBJ-UHFFFAOYSA-N 0 1 299.378 2.846 20 30 CFEDMN CC#CCN1CCC[C@](O)(c2ccc(Cl)cc2)C1 ZINC000844373615 632183465 /nfs/dbraw/zinc/18/34/65/632183465.db2.gz NNQLENWZHPPSOU-OAHLLOKOSA-N 0 1 263.768 2.647 20 30 CFEDMN CCCCCOc1ccc(CN=Nc2cnnn2C)cc1 ZINC000814980653 632184399 /nfs/dbraw/zinc/18/43/99/632184399.db2.gz HFQNXDXVKLUSHH-UHFFFAOYSA-N 0 1 287.367 2.830 20 30 CFEDMN CC(=NNc1cnnn1C)c1ccc(-c2ccncc2)cc1 ZINC000814984307 632185461 /nfs/dbraw/zinc/18/54/61/632185461.db2.gz WNGBLSUWXJADQZ-UHFFFAOYSA-N 0 1 292.346 2.713 20 30 CFEDMN CC(C)[C@H]1CC(=NNc2cnnn2C)c2ccccc21 ZINC000814982938 632185516 /nfs/dbraw/zinc/18/55/16/632185516.db2.gz VOUNSKCSXOOIHR-CYBMUJFWSA-N 0 1 269.352 2.775 20 30 CFEDMN CC[C@@H]1CN(Cc2ccc(OCC#N)cc2)[C@H](CC)CO1 ZINC000844386193 632189853 /nfs/dbraw/zinc/18/98/53/632189853.db2.gz HHUBUEDZSNPDCW-HZPDHXFCSA-N 0 1 288.391 2.978 20 30 CFEDMN C=C(C)CN(C)Cc1ccnc(Br)c1 ZINC000815087907 632198477 /nfs/dbraw/zinc/19/84/77/632198477.db2.gz TYXGQFDLXJOCLJ-UHFFFAOYSA-N 0 1 255.159 2.852 20 30 CFEDMN C[C@@H](NCCOCCC#N)c1nc2ccccc2s1 ZINC000815090599 632199374 /nfs/dbraw/zinc/19/93/74/632199374.db2.gz WJHOVBVUWGBBGE-LLVKDONJSA-N 0 1 275.377 2.877 20 30 CFEDMN C#C[C@H](NCc1cc(C)cc(Cl)c1)[C@@H]1CCCO1 ZINC000815136170 632213921 /nfs/dbraw/zinc/21/39/21/632213921.db2.gz QCZHMZKKFHWWRV-GJZGRUSLSA-N 0 1 263.768 2.919 20 30 CFEDMN C#CCOc1cccc(Cl)c1CNC[C@H](OC)C1CC1 ZINC000815153539 632219448 /nfs/dbraw/zinc/21/94/48/632219448.db2.gz QSALGXMYYWOTNP-INIZCTEOSA-N 0 1 293.794 2.867 20 30 CFEDMN C=C(C)CON=C1CCN(Cc2ccccn2)C[C@@H]1C ZINC000844616600 632263455 /nfs/dbraw/zinc/26/34/55/632263455.db2.gz DEVXVMARWGWMGE-AWEZNQCLSA-N 0 1 273.380 2.872 20 30 CFEDMN Cc1c(N=NC2CC[N@@H+](C)[C@@H](C)C2)cccc1C(=O)[O-] ZINC000844623333 632266898 /nfs/dbraw/zinc/26/68/98/632266898.db2.gz IRSKLMHDJZUZIB-JTQLQIEISA-N 0 1 275.352 2.575 20 30 CFEDMN CC#CCCOC(=O)[C@H]1CCCCN1C1CCCC1 ZINC000815445663 632275129 /nfs/dbraw/zinc/27/51/29/632275129.db2.gz FRNZZRSZTFLCLJ-OAHLLOKOSA-N 0 1 263.381 2.740 20 30 CFEDMN Cc1nsc(C)c1C(=O)Nc1cc(C#N)ccc1O ZINC000815878008 632327831 /nfs/dbraw/zinc/32/78/31/632327831.db2.gz PBFYLFLACUWQHR-UHFFFAOYSA-N 0 1 273.317 2.590 20 30 CFEDMN CCc1ccc(C#CC(=O)N2C[C@H](C)N(CC)C[C@H]2C)cc1 ZINC000815892291 632329557 /nfs/dbraw/zinc/32/95/57/632329557.db2.gz LWQADOFBEARHLO-JKSUJKDBSA-N 0 1 298.430 2.542 20 30 CFEDMN Cc1cccc(NC(=O)C(C#N)C(=O)[C@@H](C)C(C)(F)F)c1 ZINC000815907906 632331880 /nfs/dbraw/zinc/33/18/80/632331880.db2.gz NOTGBLCBYJXBGU-ZYHUDNBSSA-N 0 1 294.301 2.934 20 30 CFEDMN CCc1nc(C)c(C(=O)C(C#N)C(=O)Nc2ccccc2)o1 ZINC000815907734 632332566 /nfs/dbraw/zinc/33/25/66/632332566.db2.gz IYVPHNBNKBFEBO-LBPRGKRZSA-N 0 1 297.314 2.507 20 30 CFEDMN C#CCN1CCC[C@H]1COC(=O)c1ccn(C(C)C)c1C ZINC000815939916 632338195 /nfs/dbraw/zinc/33/81/95/632338195.db2.gz FBIGVCOLTFZXMA-HNNXBMFYSA-N 0 1 288.391 2.632 20 30 CFEDMN CCc1ccc(C#CC(=O)Nc2cc(N(C)C)ccn2)cc1 ZINC000816064480 632364711 /nfs/dbraw/zinc/36/47/11/632364711.db2.gz IFYGJZOHXWSNML-UHFFFAOYSA-N 0 1 293.370 2.700 20 30 CFEDMN C[C@H]1CC[C@H](C(=O)C(C#N)C(=O)NC2CCCCC2)CC1 ZINC000845441735 632435778 /nfs/dbraw/zinc/43/57/78/632435778.db2.gz SHGQQVXDQGXAOI-UMVBOHGHSA-N 0 1 290.407 2.970 20 30 CFEDMN Cc1cc(C(C#N)C(=O)[C@@H]2C[C@@H]3C=C[C@H]2CC3)nc(C)n1 ZINC000845444446 632435953 /nfs/dbraw/zinc/43/59/53/632435953.db2.gz VCHDLQSWYVSYJP-LXTVHRRPSA-N 0 1 281.359 2.872 20 30 CFEDMN C=CC[C@@H](CO)[NH2+]Cc1ccc2ccccc2c1[O-] ZINC000816569174 632488359 /nfs/dbraw/zinc/48/83/59/632488359.db2.gz BMJBTOWAKLGIFR-AWEZNQCLSA-N 0 1 257.333 2.572 20 30 CFEDMN C=CCC(F)(F)C(=O)N1CCC(c2cn[nH]c2C)CC1 ZINC000816606711 632492637 /nfs/dbraw/zinc/49/26/37/632492637.db2.gz RYWFWNUVXVNXBD-UHFFFAOYSA-N 0 1 283.322 2.636 20 30 CFEDMN CS[C@@H](C)C(O)=C(C#N)C(=O)C1(c2ccccc2)CC1 ZINC000845839508 632577765 /nfs/dbraw/zinc/57/77/65/632577765.db2.gz UYGJHBQJXVSDOP-AAEUAGOBSA-N 0 1 287.384 2.748 20 30 CFEDMN N#CC(C(=O)[C@H]1CCSC1)=C(O)C1(c2ccccc2)CC1 ZINC000845840415 632578732 /nfs/dbraw/zinc/57/87/32/632578732.db2.gz BHJVPOPFEWXRAC-JSGCOSHPSA-N 0 1 299.395 2.749 20 30 CFEDMN N#CC(C(=O)C1(c2ccccc2)CC1)=C(O)[C@H]1CCCCO1 ZINC000845840406 632578811 /nfs/dbraw/zinc/57/88/11/632578811.db2.gz BCTXTNAVWHMEDN-LSDHHAIUSA-N 0 1 297.354 2.565 20 30 CFEDMN N#CC(C(=O)CC1(C#N)CC1)=C(O)C1(c2ccccc2)CC1 ZINC000845845783 632579855 /nfs/dbraw/zinc/57/98/55/632579855.db2.gz ZCZIKTWUPHIAPN-CQSZACIVSA-N 0 1 292.338 2.690 20 30 CFEDMN C(=NNC1=N[C@@H]2CCCC[C@@H]2N1)c1cccc(C2CC2)c1 ZINC000817325522 632602574 /nfs/dbraw/zinc/60/25/74/632602574.db2.gz DEIXGWWYBVMJHJ-IYBDPMFKSA-N 0 1 282.391 2.758 20 30 CFEDMN Nc1ccc2c(c1)C(=NNCCc1ccccn1)CCCC2 ZINC000817327445 632603418 /nfs/dbraw/zinc/60/34/18/632603418.db2.gz JKVWADNGFXZVHF-UHFFFAOYSA-N 0 1 294.402 2.927 20 30 CFEDMN COCCCON=C1CCCCc2ccc(N)cc21 ZINC000817329722 632604352 /nfs/dbraw/zinc/60/43/52/632604352.db2.gz ZVYXJHGAUFQTAC-UHFFFAOYSA-N 0 1 262.353 2.752 20 30 CFEDMN CN(Cc1ccc(Cl)o1)C[C@H](O)c1cccc(C#N)c1 ZINC000846005748 632611840 /nfs/dbraw/zinc/61/18/40/632611840.db2.gz GRWOILDUVYJGJH-AWEZNQCLSA-N 0 1 290.750 2.970 20 30 CFEDMN CC(C)n1cc(CN(C)C[C@@H](O)c2cccc(C#N)c2)cn1 ZINC000846006022 632612521 /nfs/dbraw/zinc/61/25/21/632612521.db2.gz FZTGUNNMGKGXMX-QGZVFWFLSA-N 0 1 298.390 2.501 20 30 CFEDMN CCOc1ccc(CNCC2(C#N)CCCC2)c(O)c1 ZINC000846011424 632613019 /nfs/dbraw/zinc/61/30/19/632613019.db2.gz UMTPSPYNQZOQFG-UHFFFAOYSA-N 0 1 274.364 2.964 20 30 CFEDMN C=CCOc1ccc(CN2C[C@H]3[C@@H](C2)C3(F)F)cc1OC ZINC000846109481 632633306 /nfs/dbraw/zinc/63/33/06/632633306.db2.gz DXAQDSXDFKXICV-BETUJISGSA-N 0 1 295.329 2.957 20 30 CFEDMN C=CCC(C)(C)CNC(=O)c1nnc2ccccc2c1O ZINC000817457781 632641009 /nfs/dbraw/zinc/64/10/09/632641009.db2.gz XJEMHYFPXHQPOM-UHFFFAOYSA-N 0 1 285.347 2.668 20 30 CFEDMN C=CC[N@H+](CCSc1ccc(C)c(C)c1)CC(=O)[O-] ZINC000846263708 632676699 /nfs/dbraw/zinc/67/66/99/632676699.db2.gz UNWYQEVWCHGHLQ-UHFFFAOYSA-N 0 1 279.405 2.968 20 30 CFEDMN C=CCCCCC[N@H+](CCC(=O)[O-])C1CCOCC1 ZINC000846274118 632679193 /nfs/dbraw/zinc/67/91/93/632679193.db2.gz OTTMXZZUJFLZQH-UHFFFAOYSA-N 0 1 269.385 2.689 20 30 CFEDMN N#C[C@H](C(=O)[C@H]1CC12CC2)c1cnc2ccccc2n1 ZINC000817731590 632696248 /nfs/dbraw/zinc/69/62/48/632696248.db2.gz PFYZVHMQJHSNRV-WDEREUQCSA-N 0 1 263.300 2.606 20 30 CFEDMN C=C[C@@H](C)ONC(=O)C(C)(C)COCc1ccccc1 ZINC000846552994 632740559 /nfs/dbraw/zinc/74/05/59/632740559.db2.gz VACWCUISVGQVRQ-CYBMUJFWSA-N 0 1 277.364 2.852 20 30 CFEDMN CCN(Cc1ccc(C#N)cn1)C[C@@H](O)c1ccc(C)cc1 ZINC000846807365 632803252 /nfs/dbraw/zinc/80/32/52/632803252.db2.gz CJOYXEPTTBPOMN-GOSISDBHSA-N 0 1 295.386 2.817 20 30 CFEDMN N#Cc1ccc(CN2CCC[C@H]2C[C@H](O)c2ccco2)nc1 ZINC000846816448 632808324 /nfs/dbraw/zinc/80/83/24/632808324.db2.gz WQXAWQLAMVOXIL-HOTGVXAUSA-N 0 1 297.358 2.634 20 30 CFEDMN N#Cc1ccc(CN2CCC[C@@H]2C[C@@H](O)c2ccco2)nc1 ZINC000846816449 632808891 /nfs/dbraw/zinc/80/88/91/632808891.db2.gz WQXAWQLAMVOXIL-HZPDHXFCSA-N 0 1 297.358 2.634 20 30 CFEDMN C[C@@H](NC[C@@H](O)CC(C)(C)C#N)c1c(F)cccc1F ZINC000856732934 635843256 /nfs/dbraw/zinc/84/32/56/635843256.db2.gz HXWGPKIFWMXQLN-MNOVXSKESA-N 0 1 282.334 2.916 20 30 CFEDMN C#C[C@@H]1CCCN(Cc2cncn2Cc2ccccc2)C1 ZINC000847019850 632884016 /nfs/dbraw/zinc/88/40/16/632884016.db2.gz SUHNLAIUBCPGJQ-MRXNPFEDSA-N 0 1 279.387 2.777 20 30 CFEDMN C#C[C@H]1CCCN(Cc2cncn2Cc2ccccc2)C1 ZINC000847019847 632884328 /nfs/dbraw/zinc/88/43/28/632884328.db2.gz SUHNLAIUBCPGJQ-INIZCTEOSA-N 0 1 279.387 2.777 20 30 CFEDMN C#C[C@@H]1CCC[N@H+]([C@H](C)c2cc(C)c(C(=O)OC)o2)C1 ZINC000847020637 632885524 /nfs/dbraw/zinc/88/55/24/632885524.db2.gz CVRJWIPSSKICFG-CHWSQXEVSA-N 0 1 275.348 2.781 20 30 CFEDMN C#C[C@@H]1CCCN([C@H](C)c2cc(C)c(C(=O)OC)o2)C1 ZINC000847020637 632885528 /nfs/dbraw/zinc/88/55/28/632885528.db2.gz CVRJWIPSSKICFG-CHWSQXEVSA-N 0 1 275.348 2.781 20 30 CFEDMN C#C[C@H]1CCCN([C@@H]2CCCN(c3ccccc3)C2=O)C1 ZINC000847025517 632890314 /nfs/dbraw/zinc/89/03/14/632890314.db2.gz NUOMOUCBKJZMPI-DOTOQJQBSA-N 0 1 282.387 2.527 20 30 CFEDMN C#C[C@@H]1CCCN(Cc2cc(F)cc(C(C)=O)c2O)C1 ZINC000847025195 632890375 /nfs/dbraw/zinc/89/03/75/632890375.db2.gz NFWRLCZSWKXTKN-GFCCVEGCSA-N 0 1 275.323 2.579 20 30 CFEDMN C#C[C@H]1CCCN(Cc2cc(OC)ccc2OC)C1 ZINC000847025280 632891459 /nfs/dbraw/zinc/89/14/59/632891459.db2.gz VQMUWVMGIRVYBP-ZDUSSCGKSA-N 0 1 259.349 2.549 20 30 CFEDMN C#C[C@@H]1CCCN(CCOc2ccccc2C(C)=O)C1 ZINC000847026774 632892252 /nfs/dbraw/zinc/89/22/52/632892252.db2.gz GUYYZQYZFVSOHF-OAHLLOKOSA-N 0 1 271.360 2.613 20 30 CFEDMN C#C[C@H]1CCCN([C@H](C)C(=O)N(CC)C2CCCCC2)C1 ZINC000847030259 632893986 /nfs/dbraw/zinc/89/39/86/632893986.db2.gz PSLVZUJGJQMKKE-CVEARBPZSA-N 0 1 290.451 2.901 20 30 CFEDMN C#C[C@@H]1CCCN(CC(=O)N2CCC[C@@H]3CCCC[C@H]32)C1 ZINC000847032674 632896181 /nfs/dbraw/zinc/89/61/81/632896181.db2.gz YKVANNADWVXWSM-IXDOHACOSA-N 0 1 288.435 2.513 20 30 CFEDMN C[C@H](O)C[N@@H+](Cc1cc(Cl)ccc1OCC#N)C1CC1 ZINC000847100545 632920996 /nfs/dbraw/zinc/92/09/96/632920996.db2.gz UAZALSIDTKIDAF-NSHDSACASA-N 0 1 294.782 2.588 20 30 CFEDMN C[C@H](O)CN(Cc1cc(Cl)ccc1OCC#N)C1CC1 ZINC000847100545 632920999 /nfs/dbraw/zinc/92/09/99/632920999.db2.gz UAZALSIDTKIDAF-NSHDSACASA-N 0 1 294.782 2.588 20 30 CFEDMN CC(C)NC(=O)C(C#N)C(=O)CCC1CCCCCC1 ZINC000847626085 633010820 /nfs/dbraw/zinc/01/08/20/633010820.db2.gz CPBKAOFNKXBVGU-CQSZACIVSA-N 0 1 278.396 2.970 20 30 CFEDMN C#CCCC[C@H](C)OC(=O)c1cccc(-c2nnc[nH]2)c1 ZINC000847867038 633117673 /nfs/dbraw/zinc/11/76/73/633117673.db2.gz UXBQSSGZLKNBGR-LBPRGKRZSA-N 0 1 283.331 2.821 20 30 CFEDMN C#Cc1ccccc1CC(=O)OCc1cc(C2CC2)[nH]n1 ZINC000848010544 633183090 /nfs/dbraw/zinc/18/30/90/633183090.db2.gz LZIRSIVOYAIYOF-UHFFFAOYSA-N 0 1 280.327 2.554 20 30 CFEDMN C#C[C@H]1CCCN(C(=O)[C@H](c2ccccc2)N(C)CC)C1 ZINC000848284781 633232872 /nfs/dbraw/zinc/23/28/72/633232872.db2.gz MUCUUHPMCNFGPG-RDJZCZTQSA-N 0 1 284.403 2.551 20 30 CFEDMN C#C[C@@H]1CCCN(Cn2cnc3cc(F)c(F)cc32)C1 ZINC000848494117 633267094 /nfs/dbraw/zinc/26/70/94/633267094.db2.gz VDWGSFLZKIVOMN-LLVKDONJSA-N 0 1 275.302 2.617 20 30 CFEDMN C#C[C@H]1CCCN(Cn2ccc(-c3ccccc3)n2)C1 ZINC000848494031 633267163 /nfs/dbraw/zinc/26/71/63/633267163.db2.gz SSKRHEMDOFABSM-HNNXBMFYSA-N 0 1 265.360 2.853 20 30 CFEDMN C#CCN(Cc1cnc(Cl)n1C)C1CCCCC1 ZINC000848882996 633358580 /nfs/dbraw/zinc/35/85/80/633358580.db2.gz GNPZYRZBAMYLEH-UHFFFAOYSA-N 0 1 265.788 2.841 20 30 CFEDMN C#C[C@@H]1CCCN(Cc2cc(OC)c(OC)c(OC)c2)C1 ZINC000848923738 633406002 /nfs/dbraw/zinc/40/60/02/633406002.db2.gz PLIOVMSHGJKFON-CYBMUJFWSA-N 0 1 289.375 2.558 20 30 CFEDMN C#C[C@H]1CCCN(Cc2cnn(-c3ccc(F)cc3)c2)C1 ZINC000848924372 633407412 /nfs/dbraw/zinc/40/74/12/633407412.db2.gz QXQOACJLQWIZMN-AWEZNQCLSA-N 0 1 283.350 2.857 20 30 CFEDMN CCn1cc(C/N=C/c2cc(Cl)cc(Cl)c2O)nn1 ZINC000849171726 633578899 /nfs/dbraw/zinc/57/88/99/633578899.db2.gz FGTWYMHSGOITQG-PJQLUOCWSA-N 0 1 299.161 2.930 20 30 CFEDMN CC(C)(C)[N@H+]1CC[C@@H]1C/N=C/c1cc([N+](=O)[O-])ccc1[O-] ZINC000849171448 633579101 /nfs/dbraw/zinc/57/91/01/633579101.db2.gz WYPDQONTDVHJOL-BPKVKKHESA-N 0 1 291.351 2.592 20 30 CFEDMN O=C(/C=C\c1cn(C2CCC2)nn1)c1cc(F)ccc1O ZINC000849245747 633589394 /nfs/dbraw/zinc/58/93/94/633589394.db2.gz CAZIOMJQDKCAFA-ALCCZGGFSA-N 0 1 287.294 2.744 20 30 CFEDMN C#CC[C@H]1CCC[N@H+](Cc2ccc(C(=O)[O-])cc2)C1 ZINC000849345594 633623695 /nfs/dbraw/zinc/62/36/95/633623695.db2.gz YSYIJLVWXBDOTD-ZDUSSCGKSA-N 0 1 257.333 2.620 20 30 CFEDMN C#C[C@H](NCc1cc2ccc(C)cc2[nH]1)[C@H]1CCCO1 ZINC000850251049 633913425 /nfs/dbraw/zinc/91/34/25/633913425.db2.gz KSWQIDSEQNCTBT-DOTOQJQBSA-N 0 1 268.360 2.747 20 30 CFEDMN CCOc1ccc(CNCc2ccc(C#N)cn2)c(C)c1 ZINC000850265675 633918416 /nfs/dbraw/zinc/91/84/16/633918416.db2.gz IFNIVIZVCDERIW-UHFFFAOYSA-N 0 1 281.359 2.950 20 30 CFEDMN COc1ccc(CN[C@@H]2C[C@@H](O)c3ccccc32)cc1C#N ZINC000850369883 633960233 /nfs/dbraw/zinc/96/02/33/633960233.db2.gz CBBXVFKNWBPXIQ-IAGOWNOFSA-N 0 1 294.354 2.835 20 30 CFEDMN COc1cc(CN[C@@H]2C[C@@H](O)c3ccccc32)ccc1C#N ZINC000850373694 633963719 /nfs/dbraw/zinc/96/37/19/633963719.db2.gz ISPCKNMWRPDKPT-IAGOWNOFSA-N 0 1 294.354 2.835 20 30 CFEDMN N#Cc1ccc(CNC[C@]23OCCC[C@H]2C3(F)F)c(F)c1 ZINC000850378366 633965677 /nfs/dbraw/zinc/96/56/77/633965677.db2.gz ABZBPUMRUNICKI-KGLIPLIRSA-N 0 1 296.292 2.601 20 30 CFEDMN N#CC(C(=O)C1[C@@H]2CCCCCC[C@@H]12)C(=O)N1CCCC1 ZINC000850752860 634079356 /nfs/dbraw/zinc/07/93/56/634079356.db2.gz UEHDXLIKADJBID-MGPQQGTHSA-N 0 1 288.391 2.534 20 30 CFEDMN Cc1cc(C(C#N)C(=O)[C@@H]2CCC2(C)C)nc(C)n1 ZINC000850755786 634080692 /nfs/dbraw/zinc/08/06/92/634080692.db2.gz LFECCGYMMGESLA-NEPJUHHUSA-N 0 1 257.337 2.706 20 30 CFEDMN CC1(C)CC[C@@H]1C(=O)[C@H](C#N)C(=O)NC1CCCCC1 ZINC000850757203 634081578 /nfs/dbraw/zinc/08/15/78/634081578.db2.gz HLQRCBXIOWRQTF-QWHCGFSZSA-N 0 1 276.380 2.580 20 30 CFEDMN Cc1cc(C(C#N)C(=O)[C@H](C)Cc2ccco2)nc(C)n1 ZINC000850756342 634081763 /nfs/dbraw/zinc/08/17/63/634081763.db2.gz RCZYFXLXHUBVGV-QMTHXVAHSA-N 0 1 283.331 2.742 20 30 CFEDMN CO[C@H](C(=O)C(C#N)c1cnc2ccccc2n1)C1CCC1 ZINC000850984643 634167073 /nfs/dbraw/zinc/16/70/73/634167073.db2.gz AELBMCNZNYSVMD-PXAZEXFGSA-N 0 1 295.342 2.621 20 30 CFEDMN C#Cc1cccnc1N1CCN(Cc2ccccc2C)CC1 ZINC000853090886 634900642 /nfs/dbraw/zinc/90/06/42/634900642.db2.gz GZZPFUDFPDYKHS-UHFFFAOYSA-N 0 1 291.398 2.694 20 30 CFEDMN CCCCC(N)=NOCCCOc1ccc(C#N)cc1 ZINC000111177111 634943981 /nfs/dbraw/zinc/94/39/81/634943981.db2.gz WYUMCDJKANHZAC-UHFFFAOYSA-N 0 1 275.352 2.806 20 30 CFEDMN CCCn1nccc1C=NNc1cc(Cl)ccn1 ZINC000853329043 634970506 /nfs/dbraw/zinc/97/05/06/634970506.db2.gz VFBNAVQSLYETNW-UHFFFAOYSA-N 0 1 263.732 2.788 20 30 CFEDMN C[C@@H](NN=Cc1ccnn1-c1ccncc1)C(C)(C)C ZINC000853350892 634980630 /nfs/dbraw/zinc/98/06/30/634980630.db2.gz YGMJAIMSCXCOQY-GFCCVEGCSA-N 0 1 271.368 2.625 20 30 CFEDMN C[C@@H]1CC(N=Nc2ccnc(Cl)c2)c2nccn21 ZINC000853395379 634992232 /nfs/dbraw/zinc/99/22/32/634992232.db2.gz VEUUHDXBKMVQAP-MRVPVSSYSA-N 0 1 261.716 2.712 20 30 CFEDMN C[C@@H]1CC(N=Nc2ccncc2F)CN1Cc1ccccc1 ZINC000853401986 634994420 /nfs/dbraw/zinc/99/44/20/634994420.db2.gz JZYJNSHANLXEPO-CYBMUJFWSA-N 0 1 298.365 2.705 20 30 CFEDMN Cc1ccc2c(c1C)C(=NNc1ccncc1F)CCO2 ZINC000853402496 634995662 /nfs/dbraw/zinc/99/56/62/634995662.db2.gz ZPFGUSNGGXXQLY-UHFFFAOYSA-N 0 1 285.322 2.858 20 30 CFEDMN Nc1nc2c(s1)C(N=Nc1ccc(Cl)cn1)CCC2 ZINC000853434386 634998436 /nfs/dbraw/zinc/99/84/36/634998436.db2.gz FGISFNPUAIYGOD-UHFFFAOYSA-N 0 1 293.783 2.926 20 30 CFEDMN N#Cc1cccn(CN2CCCC[C@H]2CC2CCC2)c1=O ZINC000853605579 635048162 /nfs/dbraw/zinc/04/81/62/635048162.db2.gz MWTXQROQHUWFFC-INIZCTEOSA-N 0 1 285.391 2.722 20 30 CFEDMN CC(C)(C)C#CC(=O)Nc1c(=O)[nH][nH]c1-c1ccccc1 ZINC000854644135 635354544 /nfs/dbraw/zinc/35/45/44/635354544.db2.gz GHZIPAYPBUGRRE-UHFFFAOYSA-N 0 1 283.331 2.770 20 30 CFEDMN C#CCOc1ccc(CNCc2ccccc2[N+](=O)[O-])cc1 ZINC000113323456 635553204 /nfs/dbraw/zinc/55/32/04/635553204.db2.gz UUAPLXOFANXMQT-UHFFFAOYSA-N 0 1 296.326 2.897 20 30 CFEDMN CC[C@@H](C#N)Oc1cccc(CNCc2c[nH]nc2C)c1 ZINC000113961249 635748450 /nfs/dbraw/zinc/74/84/50/635748450.db2.gz QFYCDBBBSQBUBM-HNNXBMFYSA-N 0 1 284.363 2.689 20 30 CFEDMN C#CCNC(=O)CN(Cc1cccc(Cl)c1)CC(C)C ZINC000856812329 635868188 /nfs/dbraw/zinc/86/81/88/635868188.db2.gz UZDHMJFRGDFXFM-UHFFFAOYSA-N 0 1 292.810 2.547 20 30 CFEDMN C#C[C@H](CC)NCc1ccnn1CCc1ccccc1 ZINC000857045371 635916124 /nfs/dbraw/zinc/91/61/24/635916124.db2.gz JCMFUILCCAJQIX-MRXNPFEDSA-N 0 1 267.376 2.627 20 30 CFEDMN C[C@@H]1CC(NC(=O)c2cscc2C(F)(F)F)=NO1 ZINC000857166092 635939237 /nfs/dbraw/zinc/93/92/37/635939237.db2.gz IMGWALGBTSTTKU-RXMQYKEDSA-N 0 1 278.255 2.619 20 30 CFEDMN CCCc1ccc(C=NNC2=N[C@@H]3CCCC[C@@H]3N2)s1 ZINC000857212181 635947764 /nfs/dbraw/zinc/94/77/64/635947764.db2.gz VKUZSEUYYCDEJI-OKILXGFUSA-N 0 1 290.436 2.895 20 30 CFEDMN Cc1ccc(O[C@H]2CCN(Cc3cc(C#N)cs3)C2)nc1 ZINC000858012176 636115021 /nfs/dbraw/zinc/11/50/21/636115021.db2.gz DPDCSXGEDGXODJ-AWEZNQCLSA-N 0 1 299.399 2.977 20 30 CFEDMN C#CCOc1cccc(Cl)c1CN[C@H]1C[C@H](OC)C1 ZINC000858322129 636188781 /nfs/dbraw/zinc/18/87/81/636188781.db2.gz OHETYQPUGSLKFK-HAQNSBGRSA-N 0 1 279.767 2.619 20 30 CFEDMN C#CCN(CCC(=O)NCCCC)Cc1ccc(F)cc1 ZINC000116274281 636324602 /nfs/dbraw/zinc/32/46/02/636324602.db2.gz RIPSPLNXXWGNSE-UHFFFAOYSA-N 0 1 290.382 2.567 20 30 CFEDMN C#CC[C@@H](COC)Nc1ccnc2cc(F)ccc21 ZINC000858860520 636362753 /nfs/dbraw/zinc/36/27/53/636362753.db2.gz OKWKDYNLXUNJRN-LBPRGKRZSA-N 0 1 258.296 2.824 20 30 CFEDMN C#CCCOC(=O)NC[C@@H](c1ccco1)N1CCCCC1 ZINC000858879227 636367540 /nfs/dbraw/zinc/36/75/40/636367540.db2.gz NQASBZZHZXDZKA-AWEZNQCLSA-N 0 1 290.363 2.556 20 30 CFEDMN C#CCNC(=O)[C@H](C)N1CCC(c2ccc(CC)cc2)CC1 ZINC000860024858 636762367 /nfs/dbraw/zinc/76/23/67/636762367.db2.gz FNWHAMJEOVFXGP-HNNXBMFYSA-N 0 1 298.430 2.566 20 30 CFEDMN C=CCCCCCNC(c1ccnn1C)c1ccnn1C ZINC000860081944 636782395 /nfs/dbraw/zinc/78/23/95/636782395.db2.gz XUNQWQNARLCKNK-UHFFFAOYSA-N 0 1 287.411 2.579 20 30 CFEDMN CC(C)NC(=O)[C@H](C#N)C(=O)CC(C1CCC1)C1CCC1 ZINC000860472287 636892304 /nfs/dbraw/zinc/89/23/04/636892304.db2.gz GYKYZDBIWCGLRI-OAHLLOKOSA-N 0 1 290.407 2.826 20 30 CFEDMN CC[C@@H](NC(=O)C(C#N)C(=O)C12CC(C1)C2)c1ccccc1 ZINC000860693329 636948226 /nfs/dbraw/zinc/94/82/26/636948226.db2.gz GBGIHBLUVCCYGO-HBSJQHRPSA-N 0 1 296.370 2.763 20 30 CFEDMN CCO[C@@H](C(=O)C(C#N)c1cnc2ccccc2n1)C1CC1 ZINC000860702639 636950502 /nfs/dbraw/zinc/95/05/02/636950502.db2.gz FIYROLAOIPEVMU-YVEFUNNKSA-N 0 1 295.342 2.621 20 30 CFEDMN C#CC[C@@H](COC)OC(=O)c1[nH]c(-c2ccccc2)nc1C ZINC000861282127 637147919 /nfs/dbraw/zinc/14/79/19/637147919.db2.gz LORLZKOCZUNBPO-AWEZNQCLSA-N 0 1 298.342 2.580 20 30 CFEDMN CC[C@@H](C)CONC(=O)C(C)(C)c1ccc(C#N)cc1 ZINC000861809431 637239317 /nfs/dbraw/zinc/23/93/17/637239317.db2.gz RLLYNUJFYKZVEQ-GFCCVEGCSA-N 0 1 274.364 2.930 20 30 CFEDMN Cc1c(F)nccc1CNCc1ccc(OCC#N)cc1 ZINC000862277304 637308310 /nfs/dbraw/zinc/30/83/10/637308310.db2.gz VUDMYSGFSGGJCT-UHFFFAOYSA-N 0 1 285.322 2.721 20 30 CFEDMN C#C[C@@H](C)N(C)Cc1ccc(OC)c(OC2CC2)c1 ZINC000862349354 637325994 /nfs/dbraw/zinc/32/59/94/637325994.db2.gz ZBMBYZHJANARMB-GFCCVEGCSA-N 0 1 259.349 2.690 20 30 CFEDMN C#CCn1ccc(CN(CC)C[C@]2(C)CCCS2)n1 ZINC000862351850 637326945 /nfs/dbraw/zinc/32/69/45/637326945.db2.gz TUIHJVHDGDFSLY-HNNXBMFYSA-N 0 1 277.437 2.624 20 30 CFEDMN C#C[C@@H](CC)NCc1cc(OCC)c(OC)cc1F ZINC000862363310 637334711 /nfs/dbraw/zinc/33/47/11/637334711.db2.gz MDRDBFRRGSDYJK-LBPRGKRZSA-N 0 1 265.328 2.734 20 30 CFEDMN C#C[C@H]1CCCN(Cc2ccc(F)c(F)c2N(C)C)C1 ZINC000862403140 637360927 /nfs/dbraw/zinc/36/09/27/637360927.db2.gz WEJVMHCKWZIJEU-LBPRGKRZSA-N 0 1 278.346 2.876 20 30 CFEDMN C#CC[C@@H]1CCN(Cc2cc(O)ccc2Br)C1 ZINC000862444620 637385137 /nfs/dbraw/zinc/38/51/37/637385137.db2.gz DIGXOXJKCKMQQI-LLVKDONJSA-N 0 1 294.192 3.000 20 30 CFEDMN Cc1ccc(C(=O)NC[C@H]2CC[N@H+]2C2CCCC2)cc1C#N ZINC000863033434 637539992 /nfs/dbraw/zinc/53/99/92/637539992.db2.gz VESLHZHWNLRTRI-QGZVFWFLSA-N 0 1 297.402 2.613 20 30 CFEDMN Cc1cc(=O)nc(NN=C[C@@H]2CCc3ccccc3C2)[nH]1 ZINC000863062971 637546178 /nfs/dbraw/zinc/54/61/78/637546178.db2.gz KMFNMWJGTGLASU-GFCCVEGCSA-N 0 1 282.347 2.693 20 30 CFEDMN CC[C@@H](C)c1ccc(C(C)=NNC2=NC[C@@H](C)N2)cc1 ZINC000863105255 637555901 /nfs/dbraw/zinc/55/59/01/637555901.db2.gz LCMULDUXADAUGC-VXGBXAGGSA-N 0 1 272.396 2.861 20 30 CFEDMN CC(=NNc1ccncc1C)c1ccc2c(c1)CCCO2 ZINC000863158175 637571445 /nfs/dbraw/zinc/57/14/45/637571445.db2.gz PXRSXTCKZMBXOG-UHFFFAOYSA-N 0 1 281.359 2.973 20 30 CFEDMN Cc1cnccc1NN=C1c2ccccc2C[C@@H]1C ZINC000863157497 637571840 /nfs/dbraw/zinc/57/18/40/637571840.db2.gz NOLABWZJHAWHJM-NSHDSACASA-N 0 1 251.333 2.820 20 30 CFEDMN C=CCN1CCN(CN2CCC[C@@H](C/C=C/C)C2)C1=O ZINC000863340354 637631058 /nfs/dbraw/zinc/63/10/58/637631058.db2.gz KDPPMYFZYDIJTF-SJDLMVEWSA-N 0 1 277.412 2.546 20 30 CFEDMN Fc1ccc(N=NCc2ccc(-n3cncn3)cc2)c(F)c1 ZINC000863950577 637821818 /nfs/dbraw/zinc/82/18/18/637821818.db2.gz CFKSHKROEILFSI-UHFFFAOYSA-N 0 1 299.284 2.992 20 30 CFEDMN C#Cc1ccc(C(=O)N2CCN(C(C)(C)CC)CC2)cc1 ZINC000864059529 637851843 /nfs/dbraw/zinc/85/18/43/637851843.db2.gz KZGHAFYRAMALKV-UHFFFAOYSA-N 0 1 284.403 2.614 20 30 CFEDMN N#CC(C(=O)Cc1cc(F)ccc1F)c1ccccn1 ZINC000076825002 650406148 /nfs/dbraw/zinc/40/61/48/650406148.db2.gz JSIMHZXERSMCLM-GFCCVEGCSA-N 0 1 272.254 2.779 20 30 CFEDMN C#CCOc1ccccc1CNCc1cncc(OC)c1C ZINC000865465299 638354109 /nfs/dbraw/zinc/35/41/09/638354109.db2.gz YODMXQVHCDNMQO-UHFFFAOYSA-N 0 1 296.370 2.700 20 30 CFEDMN C=C(Cl)CNC[C@@H](CC(F)F)NC(=O)OC(C)(C)C ZINC000865471634 638358906 /nfs/dbraw/zinc/35/89/06/638358906.db2.gz PZNSCHNMJPZMBR-SECBINFHSA-N 0 1 298.761 2.877 20 30 CFEDMN Cc1scc(CNCc2ccc(C#N)cn2)c1C ZINC000865538605 638407174 /nfs/dbraw/zinc/40/71/74/638407174.db2.gz VLZYWMFSQGELND-UHFFFAOYSA-N 0 1 257.362 2.921 20 30 CFEDMN C=CCC[C@H](CO)NCc1nccc(C)c1Br ZINC000865593135 638447364 /nfs/dbraw/zinc/44/73/64/638447364.db2.gz JHIFLXDOIJPOQT-LLVKDONJSA-N 0 1 299.212 2.569 20 30 CFEDMN C#Cc1cccc(CNCc2c3c(nn2C)CCCC3)c1 ZINC000865594616 638447382 /nfs/dbraw/zinc/44/73/82/638447382.db2.gz XTAOXNJREMMAFT-UHFFFAOYSA-N 0 1 279.387 2.570 20 30 CFEDMN C=CCCNCc1nccc(C)c1Br ZINC000865622950 638468568 /nfs/dbraw/zinc/46/85/68/638468568.db2.gz GLTFXPIHGJZMCN-UHFFFAOYSA-N 0 1 255.159 2.818 20 30 CFEDMN CC[C@H]1CN(C)CCN1c1cc(C(F)(F)F)cc(C#N)n1 ZINC000865836542 638601189 /nfs/dbraw/zinc/60/11/89/638601189.db2.gz JBQOBENSTPMPFT-LBPRGKRZSA-N 0 1 298.312 2.502 20 30 CFEDMN C[C@H](C#N)Oc1ccc(CN[C@H](C)c2ccnn2C)cc1 ZINC000865838906 638605211 /nfs/dbraw/zinc/60/52/11/638605211.db2.gz PHDJYGVLSYJCHV-CHWSQXEVSA-N 0 1 284.363 2.562 20 30 CFEDMN CC[C@H]1CCCCN1C(=O)[C@H]1NCCc2cc(C#N)ccc21 ZINC000867941511 638907055 /nfs/dbraw/zinc/90/70/55/638907055.db2.gz GSGPIMLHPIGFPI-RDJZCZTQSA-N 0 1 297.402 2.536 20 30 CFEDMN CC(C)CC[C@H](C)NC(=O)[C@H]1NCCc2cc(C#N)ccc21 ZINC000867952908 638908626 /nfs/dbraw/zinc/90/86/26/638908626.db2.gz IPCHTXVHSVRHQS-GUYCJALGSA-N 0 1 299.418 2.686 20 30 CFEDMN C#CC[C@@H]1CCCN(C(=O)c2c(Cl)[nH]nc2C2CC2)C1 ZINC000869073771 639024170 /nfs/dbraw/zinc/02/41/70/639024170.db2.gz MSEHJLGCWQIEBG-SNVBAGLBSA-N 0 1 291.782 2.816 20 30 CFEDMN C=C[C@](C)(CC)C(=O)N1CCN(CCC(C)C)CC1 ZINC000190940280 650469476 /nfs/dbraw/zinc/46/94/76/650469476.db2.gz CYUKDYWSVKTYGB-MRXNPFEDSA-N 0 1 266.429 2.779 20 30 CFEDMN C=CCN(CCOC)Cc1cc(=O)oc2cc(C)ccc12 ZINC000191099547 650477530 /nfs/dbraw/zinc/47/75/30/650477530.db2.gz SWTOBEGNILKASQ-UHFFFAOYSA-N 0 1 287.359 2.736 20 30 CFEDMN N#CC(C(=O)C1([C@@H]2CCCCO2)CCC1)c1ccccn1 ZINC000870136144 639527458 /nfs/dbraw/zinc/52/74/58/639527458.db2.gz IETLFVCMQBQOTO-ZFWWWQNUSA-N 0 1 284.359 2.997 20 30 CFEDMN C[C@@H]1C[C@H](C(=O)C(C#N)c2nc3ccccc3o2)[C@H](C)O1 ZINC000870162807 639530459 /nfs/dbraw/zinc/53/04/59/639530459.db2.gz NMELFPTVUAHVDY-RHYQMDGZSA-N 0 1 284.315 2.818 20 30 CFEDMN C[C@H]1CCC[C@]1(C)C(=O)NOc1cccc(C#N)c1 ZINC000870689744 639772738 /nfs/dbraw/zinc/77/27/38/639772738.db2.gz AURYCSNTINSYIM-NHYWBVRUSA-N 0 1 258.321 2.795 20 30 CFEDMN CC(C)[C@@]1(C)C[C@H]1C(=O)NOc1cccc(C#N)c1 ZINC000870691193 639773472 /nfs/dbraw/zinc/77/34/72/639773472.db2.gz GWEOOJNBXLDAPV-DZGCQCFKSA-N 0 1 258.321 2.650 20 30 CFEDMN CC(C)[C@@]1(C)C[C@@H]1C(=O)NOc1cccc(C#N)c1 ZINC000870691195 639773770 /nfs/dbraw/zinc/77/37/70/639773770.db2.gz GWEOOJNBXLDAPV-UKRRQHHQSA-N 0 1 258.321 2.650 20 30 CFEDMN C#CCN1CCC(N(C)C(=O)C2CC(C(C)(C)C)C2)CC1 ZINC001006461769 650527843 /nfs/dbraw/zinc/52/78/43/650527843.db2.gz ICGJNHUBGDWPQS-UHFFFAOYSA-N 0 1 290.451 2.615 20 30 CFEDMN C=CCCN1C[C@H]2CC[C@@H](C1)N2C(=O)C(C)(C)C(F)F ZINC001017923138 651262215 /nfs/dbraw/zinc/26/22/15/651262215.db2.gz URPOTGPJGZQVPZ-TXEJJXNPSA-N 0 1 286.366 2.529 20 30 CFEDMN N#Cc1ccc2nc(NC(=O)C34CCC(CC3)C4)[nH]c2c1 ZINC000871072740 641186960 /nfs/dbraw/zinc/18/69/60/641186960.db2.gz OYDAPTXQRSUSLS-UHFFFAOYSA-N 0 1 280.331 2.953 20 30 CFEDMN CC(=O)CCC(C)(C)C(=O)Nc1nc2ccc(C#N)cc2[nH]1 ZINC000871072041 641186993 /nfs/dbraw/zinc/18/69/93/641186993.db2.gz HNEIBGTZFSGFRR-UHFFFAOYSA-N 0 1 298.346 2.768 20 30 CFEDMN CCC[C@@H](OCC)C(=O)Nc1nc2ccc(C#N)cc2[nH]1 ZINC000871072263 641187194 /nfs/dbraw/zinc/18/71/94/641187194.db2.gz PMKDRXRJIVDJBM-CYBMUJFWSA-N 0 1 286.335 2.578 20 30 CFEDMN N#Cc1ccc2nc(NC(=O)[C@@H]3CCC[C@@H]4C[C@@H]43)[nH]c2c1 ZINC000871073317 641187737 /nfs/dbraw/zinc/18/77/37/641187737.db2.gz XOAQTNBNPQJBEN-UTUOFQBUSA-N 0 1 280.331 2.809 20 30 CFEDMN C[C@H]1CC[C@@H](C(=O)Nc2nc3ccc(C#N)cc3[nH]2)C1 ZINC000871073293 641188079 /nfs/dbraw/zinc/18/80/79/641188079.db2.gz WOWRAXVOUQNREA-GXSJLCMTSA-N 0 1 268.320 2.809 20 30 CFEDMN CCc1nc(CSc2ccc(C)cc2C#N)n[nH]1 ZINC000871686571 641402864 /nfs/dbraw/zinc/40/28/64/641402864.db2.gz BCHRZDZSSSMMLS-UHFFFAOYSA-N 0 1 258.350 2.840 20 30 CFEDMN Cc1cc(C(=O)C(C#N)c2ccccn2)cc(Cl)n1 ZINC000123825161 641481146 /nfs/dbraw/zinc/48/11/46/641481146.db2.gz IEPRYNSBINWSDK-NSHDSACASA-N 0 1 271.707 2.929 20 30 CFEDMN C=C(C)COCCN[C@@H](C)c1cccc(O)c1F ZINC000872047985 641582715 /nfs/dbraw/zinc/58/27/15/641582715.db2.gz FUEIMAXOHHQABZ-NSHDSACASA-N 0 1 253.317 2.775 20 30 CFEDMN C#CCSCCN[C@H](C)c1c(F)cccc1[N+](=O)[O-] ZINC000872049151 641582793 /nfs/dbraw/zinc/58/27/93/641582793.db2.gz PSHGMZAKDCSUMF-SNVBAGLBSA-N 0 1 282.340 2.751 20 30 CFEDMN C=C(CC)C[N@H+]1CCc2c(C(=O)[O-])ccc(OC)c2C1 ZINC000872166683 641686242 /nfs/dbraw/zinc/68/62/42/641686242.db2.gz NIOWMQIBUJORBG-UHFFFAOYSA-N 0 1 275.348 2.718 20 30 CFEDMN C#CCOc1ccc(CN2CCO[C@H](C(F)F)CC2)cc1 ZINC000872256432 641720168 /nfs/dbraw/zinc/72/01/68/641720168.db2.gz TTXRZZNLOCGJLN-HNNXBMFYSA-N 0 1 295.329 2.555 20 30 CFEDMN C[C@H]1C(N=Nc2ccc3ccccc3n2)CCN1C ZINC000872328651 641757166 /nfs/dbraw/zinc/75/71/66/641757166.db2.gz WZKNGJHDEKUDKK-NSHDSACASA-N 0 1 254.337 2.727 20 30 CFEDMN COc1c(C)cnc(C=NNc2cc(C)nc(C)n2)c1C ZINC000872343370 641760541 /nfs/dbraw/zinc/76/05/41/641760541.db2.gz ZBEWZXOSINEYMJ-UHFFFAOYSA-N 0 1 285.351 2.560 20 30 CFEDMN C[C@H]1C(N=Nc2ccnc(C(F)(F)F)c2)CCN1C ZINC000872394701 641790296 /nfs/dbraw/zinc/79/02/96/641790296.db2.gz YYHLPRDTHLEAQI-QMMMGPOBSA-N 0 1 272.274 2.592 20 30 CFEDMN CSc1nnc(SC)n1N=CC1(C)CCC1 ZINC000872417873 641803541 /nfs/dbraw/zinc/80/35/41/641803541.db2.gz RSFYFDIPBQNEJT-UHFFFAOYSA-N 0 1 256.400 2.746 20 30 CFEDMN Cc1cc(N=NC2C[C@@H](C)c3ccccc32)nc(N)n1 ZINC000872420414 641805885 /nfs/dbraw/zinc/80/58/85/641805885.db2.gz FLCBXGYPMQFAQW-SECBINFHSA-N 0 1 267.336 2.691 20 30 CFEDMN Cc1cc(N=NCc2csc(C(C)(C)C)n2)nc(N)n1 ZINC000872420738 641805980 /nfs/dbraw/zinc/80/59/80/641805980.db2.gz XJROWTKNXGJEGL-UHFFFAOYSA-N 0 1 290.396 2.567 20 30 CFEDMN C=C(Cl)CN[C@H]1CCN(C(=O)[C@@H](C)C(C)(C)C)C1 ZINC001019042710 651278349 /nfs/dbraw/zinc/27/83/49/651278349.db2.gz QXGFFGSHUAXMNR-NEPJUHHUSA-N 0 1 272.820 2.612 20 30 CFEDMN CC(C)c1cc([C@@H]2CCCN(c3c(C#N)cnn3C)C2)[nH]n1 ZINC000872649095 641884779 /nfs/dbraw/zinc/88/47/79/641884779.db2.gz SLYNACRREKZDNT-GFCCVEGCSA-N 0 1 298.394 2.522 20 30 CFEDMN COc1cc(C)cc(CN(C)[C@H]2CCC[C@H]2C#N)c1O ZINC000872682358 641895096 /nfs/dbraw/zinc/89/50/96/641895096.db2.gz PAJYFBGTEKPWEU-JSGCOSHPSA-N 0 1 274.364 2.833 20 30 CFEDMN C=CC(C)(C)CCCNC(=O)NCc1cc(C)[nH]n1 ZINC000872901595 641959453 /nfs/dbraw/zinc/95/94/53/641959453.db2.gz LUQUGZWAPCEZRV-UHFFFAOYSA-N 0 1 264.373 2.510 20 30 CFEDMN CCCCCCCCCCNC(=O)c1cnn[nH]1 ZINC000124343352 641977938 /nfs/dbraw/zinc/97/79/38/641977938.db2.gz DBAWOJZVZSPANO-UHFFFAOYSA-N 0 1 252.362 2.675 20 30 CFEDMN C=CC[C@@H](NCc1ccc(C(=O)OC)n1C)c1ccncc1 ZINC000873050102 641995641 /nfs/dbraw/zinc/99/56/41/641995641.db2.gz KEMDHUUFEJDSNG-OAHLLOKOSA-N 0 1 299.374 2.614 20 30 CFEDMN CC1(C)CO[C@@H](CNCc2cccc(F)c2C#N)C1 ZINC000873153479 642034935 /nfs/dbraw/zinc/03/49/35/642034935.db2.gz UUMANJPPXRHDJB-GFCCVEGCSA-N 0 1 262.328 2.602 20 30 CFEDMN CC[C@H](NCc1nc(C#N)cs1)[C@H](O)c1ccccc1 ZINC000873194841 642059962 /nfs/dbraw/zinc/05/99/62/642059962.db2.gz JGQPYBIXEHVFSR-DZGCQCFKSA-N 0 1 287.388 2.617 20 30 CFEDMN CCCCCNC(=O)C(C#N)C(=O)[C@@H](CC)CCC ZINC000873497115 642223361 /nfs/dbraw/zinc/22/33/61/642223361.db2.gz HOUAVTKBAHLFDA-QWHCGFSZSA-N 0 1 266.385 2.828 20 30 CFEDMN CCC[C@H](CC)C(=O)C(C#N)C(=O)NC1CCCC1 ZINC000873499127 642224333 /nfs/dbraw/zinc/22/43/33/642224333.db2.gz XYANMAKZMHGSJG-WCQYABFASA-N 0 1 264.369 2.580 20 30 CFEDMN CCC[C@H](CC)C(=O)C(C#N)C(=O)NC1CCCCC1 ZINC000873498763 642224464 /nfs/dbraw/zinc/22/44/64/642224464.db2.gz YBPVERMJGSBHKP-GXTWGEPZSA-N 0 1 278.396 2.970 20 30 CFEDMN N#CC1(C(=O)Nc2nc3ccc(Cl)cc3[nH]2)CCC1 ZINC000874692219 642453676 /nfs/dbraw/zinc/45/36/76/642453676.db2.gz SEAVSERVLDLAFU-UHFFFAOYSA-N 0 1 274.711 2.849 20 30 CFEDMN C=C(Br)CN[C@H](CC)c1c(C)nn(C)c1C ZINC000125165828 642515639 /nfs/dbraw/zinc/51/56/39/642515639.db2.gz OADVSGKZGRCSLI-LLVKDONJSA-N 0 1 286.217 2.986 20 30 CFEDMN C=CCN(CC=C)C(=O)[C@@H](N)c1cccc(C(F)(F)F)c1 ZINC000876546693 642915082 /nfs/dbraw/zinc/91/50/82/642915082.db2.gz QRQMABMOKTYPCC-ZDUSSCGKSA-N 0 1 298.308 2.906 20 30 CFEDMN CC1(CC(=O)C(C#N)C(=O)N2CCCC2)CCCCC1 ZINC000126006421 642915797 /nfs/dbraw/zinc/91/57/97/642915797.db2.gz ZUWIPACWNFTPTE-CYBMUJFWSA-N 0 1 276.380 2.678 20 30 CFEDMN CN(CCc1ccccc1F)Cc1cccc(C#N)n1 ZINC000876633082 642951261 /nfs/dbraw/zinc/95/12/61/642951261.db2.gz MSMXYCUAARBBEM-UHFFFAOYSA-N 0 1 269.323 2.767 20 30 CFEDMN Cc1cccc(NC(=O)C(C#N)C(=O)[C@H]2CC2(C)C)c1 ZINC000126091507 642968059 /nfs/dbraw/zinc/96/80/59/642968059.db2.gz MNYGRAZDAJCICG-CHWSQXEVSA-N 0 1 270.332 2.689 20 30 CFEDMN N#Cc1cccc(CN2CC[C@@H]2Cc2ccccc2)n1 ZINC000876773559 643003305 /nfs/dbraw/zinc/00/33/05/643003305.db2.gz ABJDQTSAKCKLGW-QGZVFWFLSA-N 0 1 263.344 2.770 20 30 CFEDMN C#CCCCCCCN1CCC[C@@H]1c1nncn1C ZINC000876782688 643007054 /nfs/dbraw/zinc/00/70/54/643007054.db2.gz YXMGYIMDPYJCLK-CQSZACIVSA-N 0 1 260.385 2.536 20 30 CFEDMN CCCCCCCNC(=O)c1conc1C(C)(C)N ZINC000876988706 643095114 /nfs/dbraw/zinc/09/51/14/643095114.db2.gz JNFDDBCABQVRTA-UHFFFAOYSA-N 0 1 267.373 2.569 20 30 CFEDMN CO[C@@H]1C[C@@H](NCc2cc(C#N)cnc2Cl)C1(C)C ZINC000877076877 643138692 /nfs/dbraw/zinc/13/86/92/643138692.db2.gz SKFNOUCFKRWENP-VXGBXAGGSA-N 0 1 279.771 2.510 20 30 CFEDMN C#CCCCCCCN[C@H]1CS(=O)(=O)c2ccccc21 ZINC000877109803 643155849 /nfs/dbraw/zinc/15/58/49/643155849.db2.gz HJNKMTDJBRDBCY-HNNXBMFYSA-N 0 1 291.416 2.688 20 30 CFEDMN CN(C)c1ccc(C#N)cc1CN1CCOCC2(CCC2)C1 ZINC000877349524 643247233 /nfs/dbraw/zinc/24/72/33/643247233.db2.gz KYLZJHFUTBSIQW-UHFFFAOYSA-N 0 1 299.418 2.627 20 30 CFEDMN C#CCN(Cc1ccnc2c(C(=O)OC)cccc12)C1CC1 ZINC000877372247 643249270 /nfs/dbraw/zinc/24/92/70/643249270.db2.gz YZPCEIQXRFBLLC-UHFFFAOYSA-N 0 1 294.354 2.619 20 30 CFEDMN C#CCCCCCCN1C[C@H](C)[S@](=O)[C@@H](CC)C1 ZINC000877519654 643324577 /nfs/dbraw/zinc/32/45/77/643324577.db2.gz YZVSFSACBBUABX-MPGHIAIKSA-N 0 1 269.454 2.802 20 30 CFEDMN C#C[C@H](NC[C@H](OC)[C@@H]1CCOC1)c1ccc(Cl)cc1 ZINC000877540703 643342173 /nfs/dbraw/zinc/34/21/73/643342173.db2.gz GMHVVTFTGJOVJW-KBMXLJTQSA-N 0 1 293.794 2.655 20 30 CFEDMN CC(C)O[C@H]1C[C@@H](NCc2cc(C#N)cnc2Cl)C1 ZINC000877584514 643379975 /nfs/dbraw/zinc/37/99/75/643379975.db2.gz SORHHXQORYXEMR-BETUJISGSA-N 0 1 279.771 2.652 20 30 CFEDMN CC(C)(C)OC(=O)N1CCC[C@@H]1CNCC1(C#N)CCC1 ZINC000877594564 643386918 /nfs/dbraw/zinc/38/69/18/643386918.db2.gz VGJZAZWCWMSGGC-CYBMUJFWSA-N 0 1 293.411 2.669 20 30 CFEDMN C#CC[C@@H]1CCC[N@H+](Cc2ccc(F)c(F)c2[O-])C1 ZINC000877605051 643391428 /nfs/dbraw/zinc/39/14/28/643391428.db2.gz LLJJAZVQMYPJEV-LLVKDONJSA-N 0 1 265.303 2.906 20 30 CFEDMN N#CC[C@H]1CCC[N@H+](Cc2ccc(F)c(F)c2[O-])C1 ZINC000877622224 643408720 /nfs/dbraw/zinc/40/87/20/643408720.db2.gz IVOOLEXAKHPTBI-SNVBAGLBSA-N 0 1 266.291 2.796 20 30 CFEDMN CC[C@@H](COCC1CC1)NCc1cc(C#N)cnc1Cl ZINC000877622620 643409299 /nfs/dbraw/zinc/40/92/99/643409299.db2.gz RIMBEYJPUIFBQR-AWEZNQCLSA-N 0 1 293.798 2.901 20 30 CFEDMN CO[C@H](CNCc1cc(C#N)cnc1Cl)C1CCCC1 ZINC000877638232 643422751 /nfs/dbraw/zinc/42/27/51/643422751.db2.gz CSCKQKRJNPWUHY-CQSZACIVSA-N 0 1 293.798 2.901 20 30 CFEDMN N#CC(C(=O)NC1CC1)C(=O)[C@@H]1CC[C@H]2CCCC[C@@H]2C1 ZINC000245858038 650838661 /nfs/dbraw/zinc/83/86/61/650838661.db2.gz CTXYJIXFOSJBOF-BHPKHCPMSA-N 0 1 288.391 2.580 20 30 CFEDMN C[C@H]1O[C@@H](C)[C@@H](C)[C@H]1NCc1cc(C#N)cnc1Cl ZINC000877656239 643436281 /nfs/dbraw/zinc/43/62/81/643436281.db2.gz BGXJQLSPCSGOKP-BSTOTGJRSA-N 0 1 279.771 2.508 20 30 CFEDMN N#Cc1cnc(Cl)c(CNC[C@@H]2C[C@@H]3CCC[C@H]3O2)c1 ZINC000877806114 643567877 /nfs/dbraw/zinc/56/78/77/643567877.db2.gz NCQMVNQTRZYZGC-FPMFFAJLSA-N 0 1 291.782 2.654 20 30 CFEDMN N#Cc1cccc(CNc2ccc3c(n2)CCCC3)n1 ZINC000877829274 643595235 /nfs/dbraw/zinc/59/52/35/643595235.db2.gz XZPWMPGFISRNGU-UHFFFAOYSA-N 0 1 264.332 2.839 20 30 CFEDMN C#CCCCCCN1CCN(C(=O)c2ccccc2)CC1 ZINC000877910229 643636231 /nfs/dbraw/zinc/63/62/31/643636231.db2.gz PFSZXOFHBXGTAO-UHFFFAOYSA-N 0 1 284.403 2.638 20 30 CFEDMN C=CC[C@@H](C)[N@H+]1Cc2c(OC)ccc(OC)c2[C@@H](O)C1 ZINC000877964735 643667441 /nfs/dbraw/zinc/66/74/41/643667441.db2.gz SDCSGPYNQUNPDI-YPMHNXCESA-N 0 1 277.364 2.517 20 30 CFEDMN C=CC[C@@H](C)N1Cc2c(OC)ccc(OC)c2[C@@H](O)C1 ZINC000877964735 643667445 /nfs/dbraw/zinc/66/74/45/643667445.db2.gz SDCSGPYNQUNPDI-YPMHNXCESA-N 0 1 277.364 2.517 20 30 CFEDMN CC(C)CN(CCC#N)C[C@@H]1CCC2(CCOCC2)CO1 ZINC000878121589 643746652 /nfs/dbraw/zinc/74/66/52/643746652.db2.gz MNELHMGKBKSCKP-INIZCTEOSA-N 0 1 294.439 2.834 20 30 CFEDMN C#CCN(Cc1ccccc1)C[C@H]1CCC2(CCOCC2)O1 ZINC000878612863 643957675 /nfs/dbraw/zinc/95/76/75/643957675.db2.gz BGHINRYPOSWHSS-GOSISDBHSA-N 0 1 299.414 2.850 20 30 CFEDMN C=C[C@@H]1OCC[C@H]1NCc1cc(C(F)(F)F)co1 ZINC000878676798 643988104 /nfs/dbraw/zinc/98/81/04/643988104.db2.gz ZVMRXIKVGRUKGO-MNOVXSKESA-N 0 1 261.243 2.732 20 30 CFEDMN C#C[C@H]1CCCN([C@@H](C)C(=O)N[C@H](C)c2ccccc2)C1 ZINC000878844263 644046707 /nfs/dbraw/zinc/04/67/07/644046707.db2.gz VDXQUVGSNLVUCC-PMPSAXMXSA-N 0 1 284.403 2.598 20 30 CFEDMN C=C1C[C@H]2CC[C@@H](C1)[N@@H+]2CC(=O)Nc1ncccc1C ZINC000878991463 644100762 /nfs/dbraw/zinc/10/07/62/644100762.db2.gz JSTSIUIPXNHWBQ-OKILXGFUSA-N 0 1 271.364 2.512 20 30 CFEDMN C=C1C[C@H]2CC[C@@H](C1)N2CC(=O)Nc1ncccc1C ZINC000878991463 644100768 /nfs/dbraw/zinc/10/07/68/644100768.db2.gz JSTSIUIPXNHWBQ-OKILXGFUSA-N 0 1 271.364 2.512 20 30 CFEDMN CN(CCC(=O)OCc1ccccc1)[C@@H]1CCC[C@H]1C#N ZINC000879312009 644220436 /nfs/dbraw/zinc/22/04/36/644220436.db2.gz ZZLFOSXYBQOFID-JKSUJKDBSA-N 0 1 286.375 2.744 20 30 CFEDMN CO[C@H]1CC[C@@H](C)N(Cc2cn3ccccc3c2C#N)C1 ZINC000879317754 644222995 /nfs/dbraw/zinc/22/29/95/644222995.db2.gz GZVFUMBPRYQLIN-HIFRSBDPSA-N 0 1 283.375 2.810 20 30 CFEDMN CO[C@@H]1CC[C@@H](C)N(CC#Cc2ccc(F)cc2)C1 ZINC000879320946 644226868 /nfs/dbraw/zinc/22/68/68/644226868.db2.gz KEPYWGUASURRKC-CZUORRHYSA-N 0 1 261.340 2.677 20 30 CFEDMN N#Cc1cc(F)ccc1C[N@@H+]1CC[C@H](O)[C@H]2CCCC[C@H]21 ZINC000879416670 644263263 /nfs/dbraw/zinc/26/32/63/644263263.db2.gz HTWWDOSGAXMEIZ-BBWFWOEESA-N 0 1 288.366 2.823 20 30 CFEDMN N#Cc1cc(F)ccc1CN1CC[C@H](O)[C@H]2CCCC[C@H]21 ZINC000879416670 644263266 /nfs/dbraw/zinc/26/32/66/644263266.db2.gz HTWWDOSGAXMEIZ-BBWFWOEESA-N 0 1 288.366 2.823 20 30 CFEDMN C=C(Br)CN1CC[C@H](O)[C@H]2CCCC[C@H]21 ZINC000879417336 644264148 /nfs/dbraw/zinc/26/41/48/644264148.db2.gz XAULSMROOZMLSS-TUAOUCFPSA-N 0 1 274.202 2.520 20 30 CFEDMN C=C(C)[C@H](CO)N[C@H](CC)c1cccc(OC)c1OC ZINC000879465089 644280279 /nfs/dbraw/zinc/28/02/79/644280279.db2.gz BHYALYJCXLQADH-KGLIPLIRSA-N 0 1 279.380 2.682 20 30 CFEDMN C[C@@H]1CC[C@H](CC(=O)[C@H](C#N)C(=O)NC2CCCCC2)C1 ZINC000247452654 650909258 /nfs/dbraw/zinc/90/92/58/650909258.db2.gz JICIAWXMQAKCHD-IPYPFGDCSA-N 0 1 290.407 2.970 20 30 CFEDMN CC(C)(C)C(=O)CCN1CCN(c2ccc(C#N)cc2)CC1 ZINC000879586437 644340894 /nfs/dbraw/zinc/34/08/94/644340894.db2.gz MKQHEAFRBCYXKK-UHFFFAOYSA-N 0 1 299.418 2.686 20 30 CFEDMN N#Cc1cnccc1CNC1([C@@H]2CCCCO2)CCC1 ZINC000879734512 644401386 /nfs/dbraw/zinc/40/13/86/644401386.db2.gz JZDSJYFZAJUUBP-HNNXBMFYSA-N 0 1 271.364 2.535 20 30 CFEDMN N#CCc1ccc(CN2CCO[C@H](C(F)(F)F)CC2)cc1 ZINC000880053933 644515323 /nfs/dbraw/zinc/51/53/23/644515323.db2.gz UNHZUUZSVWKTCF-AWEZNQCLSA-N 0 1 298.308 2.906 20 30 CFEDMN C#CCONC(=O)Cc1csc([C@H]2CC[C@H](C)CC2)n1 ZINC000880079007 644524874 /nfs/dbraw/zinc/52/48/74/644524874.db2.gz JYVCEHWOWVXRBZ-HAQNSBGRSA-N 0 1 292.404 2.660 20 30 CFEDMN CCC#C[C@@H](C)N(C)C[C@H]1CN(c2ccccc2)C(=O)O1 ZINC000880079760 644524992 /nfs/dbraw/zinc/52/49/92/644524992.db2.gz JSYYOZWWFSWIAJ-ZBFHGGJFSA-N 0 1 286.375 2.746 20 30 CFEDMN C=CC(C)(C)CC(=O)NC[C@H](c1nc[nH]n1)c1ccccc1 ZINC000880229250 644590650 /nfs/dbraw/zinc/59/06/50/644590650.db2.gz UAKNHRBYENAZBJ-AWEZNQCLSA-N 0 1 298.390 2.655 20 30 CFEDMN C[C@@H]1CCc2[nH]ncc2[C@@H]1C(=O)Nc1cccc(CC#N)c1 ZINC000880234937 644596130 /nfs/dbraw/zinc/59/61/30/644596130.db2.gz WNZGYVKSKKFDHE-BDJLRTHQSA-N 0 1 294.358 2.780 20 30 CFEDMN C=CCCCN1CCn2cnc(C(F)(F)F)c2C1 ZINC000880270361 644621185 /nfs/dbraw/zinc/62/11/85/644621185.db2.gz YCWMTJILQJABIO-UHFFFAOYSA-N 0 1 259.275 2.684 20 30 CFEDMN N#Cc1c(CN2CC[C@H](CF)C2)cn2ccccc12 ZINC000880295726 644635417 /nfs/dbraw/zinc/63/54/17/644635417.db2.gz NUQBSLRTAGPNKD-GFCCVEGCSA-N 0 1 257.312 2.602 20 30 CFEDMN CC(C)C(N)=NOCCCOCCc1ccccc1 ZINC000128547264 644796125 /nfs/dbraw/zinc/79/61/25/644796125.db2.gz XSDUJKDHAKIWLN-UHFFFAOYSA-N 0 1 264.369 2.581 20 30 CFEDMN C=CCC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)c1ccc(Cl)o1 ZINC001017357327 650962415 /nfs/dbraw/zinc/96/24/15/650962415.db2.gz HHGOCSNYBYMLCQ-TXEJJXNPSA-N 0 1 294.782 2.798 20 30 CFEDMN C=CCCN1C[C@H]2CC[C@@H](C1)N2C(=O)c1ccc(Cl)o1 ZINC001017357327 650962418 /nfs/dbraw/zinc/96/24/18/650962418.db2.gz HHGOCSNYBYMLCQ-TXEJJXNPSA-N 0 1 294.782 2.798 20 30 CFEDMN CC1(C)CC[C@H](CC(=O)NOc2cccc(C#N)c2)OC1 ZINC000881299512 644946021 /nfs/dbraw/zinc/94/60/21/644946021.db2.gz MZFOZZPUPFGTBY-CYBMUJFWSA-N 0 1 288.347 2.564 20 30 CFEDMN C=CCN1C(=O)N=NC1SC[C@@H]1CCCC(C)(C)O1 ZINC000882137980 645216597 /nfs/dbraw/zinc/21/65/97/645216597.db2.gz ARRXHYJFUIPECQ-JTQLQIEISA-N 0 1 283.397 2.610 20 30 CFEDMN C=CCN1C(=O)N=NC1S[C@@H](C)c1ccc(F)nc1 ZINC000882139436 645217413 /nfs/dbraw/zinc/21/74/13/645217413.db2.gz WSCKWEAAOHAALD-QMMMGPOBSA-N 0 1 280.328 2.557 20 30 CFEDMN N#CC(C(=O)[C@H]1CC1(Cl)Cl)c1nc2ccccc2[nH]1 ZINC000097466068 651029127 /nfs/dbraw/zinc/02/91/27/651029127.db2.gz GFASFNHVDIIJEH-JGVFFNPUSA-N 0 1 294.141 2.933 20 30 CFEDMN CC#CC[C@H](CO)NCc1c(C)nn(CCCC)c1Cl ZINC000883157332 645630589 /nfs/dbraw/zinc/63/05/89/645630589.db2.gz VZXNJQSSMJYDCS-CYBMUJFWSA-N 0 1 297.830 2.509 20 30 CFEDMN C=CCC[C@@H](NCc1ncccc1F)[C@@H]1CCCO1 ZINC000883207852 645664812 /nfs/dbraw/zinc/66/48/12/645664812.db2.gz UKCNJBJHNAWYLQ-HIFRSBDPSA-N 0 1 264.344 2.824 20 30 CFEDMN C=CCC[C@@H](NCc1nccn1CC)[C@H]1CCCO1 ZINC000883226102 645675809 /nfs/dbraw/zinc/67/58/09/645675809.db2.gz SEZBSYGEZITEDC-ZIAGYGMSSA-N 0 1 263.385 2.506 20 30 CFEDMN C=CCC[C@H](NCc1nnc(C(C)C)[nH]1)[C@H]1CCCO1 ZINC000883225360 645676377 /nfs/dbraw/zinc/67/63/77/645676377.db2.gz FTTQWFVZSOFRBM-QWHCGFSZSA-N 0 1 278.400 2.532 20 30 CFEDMN C=C(Br)CN1CCCC[C@@H]1[C@H]1CCC[C@@H]1O ZINC000253086755 651036358 /nfs/dbraw/zinc/03/63/58/651036358.db2.gz CFWHVHDWVILTBG-UPJWGTAASA-N 0 1 288.229 2.911 20 30 CFEDMN CC1(C#N)CCC(NC2(c3ncccn3)CCC2)CC1 ZINC000883312162 645732567 /nfs/dbraw/zinc/73/25/67/645732567.db2.gz WCDRZIMYBGUOCE-UHFFFAOYSA-N 0 1 270.380 2.918 20 30 CFEDMN C=C(C)C[C@H](CO)NCc1ccsc1Br ZINC000883399058 645795590 /nfs/dbraw/zinc/79/55/90/645795590.db2.gz BXANDGIAQYHJRW-SNVBAGLBSA-N 0 1 290.226 2.927 20 30 CFEDMN C=C(C)C[C@H](CO)NCc1ccnc(Cl)c1Cl ZINC000883400218 645796480 /nfs/dbraw/zinc/79/64/80/645796480.db2.gz HHAYQKSEENDBSH-SNVBAGLBSA-N 0 1 275.179 2.805 20 30 CFEDMN C=C(C)C[C@H](CO)NCc1cc([N+](=O)[O-])ccc1Cl ZINC000883401035 645797700 /nfs/dbraw/zinc/79/77/00/645797700.db2.gz AMSWJYZEEDRUJC-LLVKDONJSA-N 0 1 284.743 2.665 20 30 CFEDMN Cc1cc(N=NC(C)c2c(C)cc(N)cc2C)ncn1 ZINC000884430661 646352406 /nfs/dbraw/zinc/35/24/06/646352406.db2.gz YCRFVMINDKJIGQ-UHFFFAOYSA-N 0 1 269.352 2.820 20 30 CFEDMN C=CC[C@@H]1CCN(C(=O)[C@@H](N)Cc2cc3ccccc3o2)C1 ZINC000884429516 646352831 /nfs/dbraw/zinc/35/28/31/646352831.db2.gz LORWIJUTTQVGTD-CJNGLKHVSA-N 0 1 298.386 2.727 20 30 CFEDMN CSCc1n[nH]c(CNc2cccc(Cl)c2C#N)n1 ZINC000884694924 646530097 /nfs/dbraw/zinc/53/00/97/646530097.db2.gz BQYYBAPKEZXNIZ-UHFFFAOYSA-N 0 1 293.783 2.805 20 30 CFEDMN CSCc1nnc(CNc2cccc(Cl)c2C#N)[nH]1 ZINC000884694924 646530099 /nfs/dbraw/zinc/53/00/99/646530099.db2.gz BQYYBAPKEZXNIZ-UHFFFAOYSA-N 0 1 293.783 2.805 20 30 CFEDMN CSCc1n[nH]c(CNc2ccc(C#N)c(Cl)c2)n1 ZINC000884695222 646530642 /nfs/dbraw/zinc/53/06/42/646530642.db2.gz ONGQTATZGILZIY-UHFFFAOYSA-N 0 1 293.783 2.805 20 30 CFEDMN CSCc1nnc(CNc2ccc(C#N)c(Cl)c2)[nH]1 ZINC000884695222 646530650 /nfs/dbraw/zinc/53/06/50/646530650.db2.gz ONGQTATZGILZIY-UHFFFAOYSA-N 0 1 293.783 2.805 20 30 CFEDMN C[C@@H]1CCc2[nH]ncc2[C@@H]1C(=O)OCc1cccc(C#N)c1 ZINC000885259143 646650068 /nfs/dbraw/zinc/65/00/68/646650068.db2.gz KSLGLDRNFIAPEZ-BDJLRTHQSA-N 0 1 295.342 2.691 20 30 CFEDMN C[C@@H]1CCc2[nH]ncc2[C@H]1C(=O)OCC#Cc1ccccc1 ZINC000885260681 646651512 /nfs/dbraw/zinc/65/15/12/646651512.db2.gz REDJXIFWZKRAPX-DYVFJYSZSA-N 0 1 294.354 2.671 20 30 CFEDMN CN(Cc1ccc(Cl)nc1)C[C@H](O)CC1(C#N)CCC1 ZINC000886032170 646830074 /nfs/dbraw/zinc/83/00/74/646830074.db2.gz ALPNBCXDRWOWCU-CYBMUJFWSA-N 0 1 293.798 2.612 20 30 CFEDMN N#CC(C(=O)NC1CCCC1)C(=O)C1CCC(F)(F)CC1 ZINC000136879258 646869590 /nfs/dbraw/zinc/86/95/90/646869590.db2.gz WCZQGFOORWXYCP-LBPRGKRZSA-N 0 1 298.333 2.580 20 30 CFEDMN N#CC1(C[C@@H](O)CN2CCc3cc(F)ccc3C2)CCC1 ZINC000886102844 646874229 /nfs/dbraw/zinc/87/42/29/646874229.db2.gz RZUUWOSXTCLAMT-MRXNPFEDSA-N 0 1 288.366 2.629 20 30 CFEDMN C=CC[C@H]1CCCN(Cc2cccnc2[N+](=O)[O-])C1 ZINC000886277393 646948350 /nfs/dbraw/zinc/94/83/50/646948350.db2.gz PDYQGGRKZANORQ-LBPRGKRZSA-N 0 1 261.325 2.778 20 30 CFEDMN C#CC[C@@H]1CC[N@H+]([C@H](C)C(=O)N2CCCc3ccccc32)C1 ZINC000886354030 646983097 /nfs/dbraw/zinc/98/30/97/646983097.db2.gz UWRGLWIDDDJSML-HZPDHXFCSA-N 0 1 296.414 2.700 20 30 CFEDMN C#CC[C@@H]1CC[N@H+]([C@H](C)C(=O)Nc2ccccc2C)C1 ZINC000886354105 646983123 /nfs/dbraw/zinc/98/31/23/646983123.db2.gz VZVUZJUEWPGSAN-HUUCEWRRSA-N 0 1 270.376 2.667 20 30 CFEDMN N#Cc1cc(CN2CCC[C@H](c3ncccn3)C2)ccc1F ZINC000886680762 647107664 /nfs/dbraw/zinc/10/76/64/647107664.db2.gz LGLSFBYZVDSGBA-AWEZNQCLSA-N 0 1 296.349 2.867 20 30 CFEDMN C=CCC1(O)CCN(Cc2c(C)nsc2C)CC1 ZINC000886778707 647133979 /nfs/dbraw/zinc/13/39/79/647133979.db2.gz PHKFFYPUYVZSBY-UHFFFAOYSA-N 0 1 266.410 2.663 20 30 CFEDMN C#CCC1(NC(=O)c2ccc(O)c(Cl)c2)CCC1 ZINC000886787779 647136758 /nfs/dbraw/zinc/13/67/58/647136758.db2.gz DQNMSSNOSKTBHR-UHFFFAOYSA-N 0 1 263.724 2.721 20 30 CFEDMN N#Cc1cc(F)ccc1CN1CC[C@@H]([C@H]2CCCO2)C1 ZINC000886833206 647156570 /nfs/dbraw/zinc/15/65/70/647156570.db2.gz UZJSEOHAUDDUOB-CZUORRHYSA-N 0 1 274.339 2.698 20 30 CFEDMN N#Cc1cc(F)ccc1CNCC1(C2(O)CCC2)CCC1 ZINC000886975170 647186275 /nfs/dbraw/zinc/18/62/75/647186275.db2.gz CSOFFNNWCAXHQV-UHFFFAOYSA-N 0 1 288.366 2.872 20 30 CFEDMN CC(=O)[C@@](C#N)(CCN(C)CCCF)c1ccccc1 ZINC000887143797 647230019 /nfs/dbraw/zinc/23/00/19/647230019.db2.gz PNNDNSUEMYIYFM-INIZCTEOSA-N 0 1 276.355 2.718 20 30 CFEDMN CC(C)[C@H]1CCC2=NN(c3ccc(C#N)cn3)C(=O)[C@@H]2C1 ZINC000887295200 647262701 /nfs/dbraw/zinc/26/27/01/647262701.db2.gz ZRWBYSDDVWBTOX-QWHCGFSZSA-N 0 1 282.347 2.728 20 30 CFEDMN Cc1cc(C#N)cc(C)c1CN1CCOC2(CCC2)C1 ZINC000930143543 647829214 /nfs/dbraw/zinc/82/92/14/647829214.db2.gz RHDAWEYWBDTLAJ-UHFFFAOYSA-N 0 1 270.376 2.930 20 30 CFEDMN CC[C@@H]([NH2+][C@H](C)Cc1cc(C)[nH]n1)c1cccc(C#N)c1[O-] ZINC000925561176 648217453 /nfs/dbraw/zinc/21/74/53/648217453.db2.gz JFMPQUWOUXJBKF-BDJLRTHQSA-N 0 1 298.390 2.967 20 30 CFEDMN COC1(OC)CC[C@H]1N[C@H](CCC#N)c1ccccc1 ZINC000925601791 648235363 /nfs/dbraw/zinc/23/53/63/648235363.db2.gz OVCIGPWEANYPCB-HUUCEWRRSA-N 0 1 274.364 2.773 20 30 CFEDMN C[C@@H](NC[C@@]1(C(F)(F)F)CCCN1)c1cccc(C#N)c1 ZINC000925853939 648346260 /nfs/dbraw/zinc/34/62/60/648346260.db2.gz KHARZJGPCCHDEC-BXUZGUMPSA-N 0 1 297.324 2.893 20 30 CFEDMN C=CCNC(=O)CN[C@@H](C)c1csc(C(F)(F)F)c1 ZINC000925978514 648378777 /nfs/dbraw/zinc/37/87/77/648378777.db2.gz CSDWKLDQIPAEOK-QMMMGPOBSA-N 0 1 292.326 2.720 20 30 CFEDMN CC[C@@H]([NH2+]C1C[C@H]2CC[C@@H](C1)N2C)c1cccc(C#N)c1[O-] ZINC000926538874 648524039 /nfs/dbraw/zinc/52/40/39/648524039.db2.gz DULRAKRLOAPUJJ-UCMJJCQDSA-N 0 1 299.418 2.930 20 30 CFEDMN CC[C@H]([NH2+]C1C[C@H]2CC[C@@H](C1)N2C)c1cccc(C#N)c1[O-] ZINC000926538873 648524112 /nfs/dbraw/zinc/52/41/12/648524112.db2.gz DULRAKRLOAPUJJ-BTFYYFJDSA-N 0 1 299.418 2.930 20 30 CFEDMN C[C@H](CC(C)(C)C#N)NCc1n[nH]c(C(C)(C)C)n1 ZINC000926571229 648538513 /nfs/dbraw/zinc/53/85/13/648538513.db2.gz QADMHNHCTUPEBL-SNVBAGLBSA-N 0 1 263.389 2.520 20 30 CFEDMN C[C@H](NCC1(C#N)CCCCC1)c1cc[nH]c(=O)c1 ZINC000926709514 648584881 /nfs/dbraw/zinc/58/48/81/648584881.db2.gz CHTAUWMUBXIMBJ-LBPRGKRZSA-N 0 1 259.353 2.912 20 30 CFEDMN C[C@H](NCC1(C#N)CCCC1)C1(Br)CC1 ZINC000926874342 648641435 /nfs/dbraw/zinc/64/14/35/648641435.db2.gz PDYQQTODBVEPNX-JTQLQIEISA-N 0 1 271.202 2.976 20 30 CFEDMN C#CCN1CCC(NC(=O)C[C@@H](C=C)c2ccccc2)CC1 ZINC000928654601 648939092 /nfs/dbraw/zinc/93/90/92/648939092.db2.gz IZKWYLZWVPMIJF-MRXNPFEDSA-N 0 1 296.414 2.560 20 30 CFEDMN C#CCN1CCC(NC(=O)c2oc3ccccc3c2C)CC1 ZINC000928658788 648939708 /nfs/dbraw/zinc/93/97/08/648939708.db2.gz RLZLBBOXAXATTA-UHFFFAOYSA-N 0 1 296.370 2.569 20 30 CFEDMN COC(=O)/C=C(\C)CN(Cc1ccc(C#N)cc1)C1CC1 ZINC000929368355 649040110 /nfs/dbraw/zinc/04/01/10/649040110.db2.gz ZEVYHAOGHNRRLD-UKTHLTGXSA-N 0 1 284.359 2.642 20 30 CFEDMN CCN(Cc1ccc(C(F)(F)F)cc1)C[C@H](O)CC#N ZINC000929385363 649042570 /nfs/dbraw/zinc/04/25/70/649042570.db2.gz QUEPVMOXCWTBNR-CYBMUJFWSA-N 0 1 286.297 2.802 20 30 CFEDMN C#Cc1cccc(NC(=O)N2CCN(C)C[C@H]2CC(C)C)c1 ZINC000929487003 649059495 /nfs/dbraw/zinc/05/94/95/649059495.db2.gz YJLJEAOZZUYMCJ-QGZVFWFLSA-N 0 1 299.418 2.862 20 30 CFEDMN N#Cc1cc(Cl)cc(CN2CCC(CCO)CC2)c1 ZINC000929593889 649073807 /nfs/dbraw/zinc/07/38/07/649073807.db2.gz WRVYSIRBFQASSI-UHFFFAOYSA-N 0 1 278.783 2.806 20 30 CFEDMN COC(=O)[C@H]1CCCC[C@H]1CN(CCC#N)CC1CC1 ZINC000929775543 649117797 /nfs/dbraw/zinc/11/77/97/649117797.db2.gz NMBNKWIPWMIZOE-GJZGRUSLSA-N 0 1 278.396 2.591 20 30 CFEDMN N#CC1(CCCCN2CC(=O)N[C@H]3CCCC[C@@H]32)CCC1 ZINC000929827685 649132782 /nfs/dbraw/zinc/13/27/82/649132782.db2.gz ACXCSKQVSFMTLU-GJZGRUSLSA-N 0 1 289.423 2.594 20 30 CFEDMN N#Cc1cncc(CNC2(c3ccc(F)cc3)CC2)c1 ZINC000929971038 649157855 /nfs/dbraw/zinc/15/78/55/649157855.db2.gz KBWJYQOWEYIXDK-UHFFFAOYSA-N 0 1 267.307 2.871 20 30 CFEDMN COC(=O)C[C@H]1CCCN1Cc1cc(Cl)cc(C#N)c1 ZINC000930058221 649175545 /nfs/dbraw/zinc/17/55/45/649175545.db2.gz LQVQFBJDXCPIPM-CQSZACIVSA-N 0 1 292.766 2.739 20 30 CFEDMN Cc1cc(CN[C@@H](C)c2cccc(C#N)c2)c(C)nn1 ZINC000930214149 649207758 /nfs/dbraw/zinc/20/77/58/649207758.db2.gz RVBHFKUAKBALBQ-LBPRGKRZSA-N 0 1 266.348 2.816 20 30 CFEDMN C[C@@H]1C[C@@H](CO)CN(Cc2cc(Cl)cc(C#N)c2)C1 ZINC000930748832 649319029 /nfs/dbraw/zinc/31/90/29/649319029.db2.gz MDBQEYACDADUFL-BXUZGUMPSA-N 0 1 278.783 2.662 20 30 CFEDMN C[C@@H]1[C@@H](C)[N@@H+](CCCCC2(C#N)CCC2)[C@H](C)C(=O)N1C ZINC000930810562 649327926 /nfs/dbraw/zinc/32/79/26/649327926.db2.gz WJVHXULIMHPKBB-RBSFLKMASA-N 0 1 291.439 2.790 20 30 CFEDMN C[C@@H]1C(=O)N(C)[C@H](C)[C@@H](C)N1CCCCC1(C#N)CCC1 ZINC000930810562 649327927 /nfs/dbraw/zinc/32/79/27/649327927.db2.gz WJVHXULIMHPKBB-RBSFLKMASA-N 0 1 291.439 2.790 20 30 CFEDMN C[C@@H]1[C@@H](C)[N@@H+](CCCCC2(C#N)CCC2)[C@@H](C)C(=O)N1C ZINC000930810560 649328605 /nfs/dbraw/zinc/32/86/05/649328605.db2.gz WJVHXULIMHPKBB-KFWWJZLASA-N 0 1 291.439 2.790 20 30 CFEDMN C[C@@H]1[C@@H](C)N(CCCCC2(C#N)CCC2)[C@@H](C)C(=O)N1C ZINC000930810560 649328608 /nfs/dbraw/zinc/32/86/08/649328608.db2.gz WJVHXULIMHPKBB-KFWWJZLASA-N 0 1 291.439 2.790 20 30 CFEDMN CCc1onc(C)c1CN(C)C[C@H](O)c1cccc(C#N)c1 ZINC000930844977 649335177 /nfs/dbraw/zinc/33/51/77/649335177.db2.gz JHRVFKLIFYJYDB-INIZCTEOSA-N 0 1 299.374 2.583 20 30 CFEDMN N#Cc1cc(Cl)cc(CN2CCC[C@@](O)(C3CC3)C2)c1 ZINC000930997257 649361834 /nfs/dbraw/zinc/36/18/34/649361834.db2.gz FMHDUPMWUXGPDL-INIZCTEOSA-N 0 1 290.794 2.949 20 30 CFEDMN C[C@@H]1CN(Cc2cc(Cl)cc(C#N)c2)C[C@]1(C)CO ZINC000931066400 649374062 /nfs/dbraw/zinc/37/40/62/649374062.db2.gz OYLVHRXLFBWLMJ-IAQYHMDHSA-N 0 1 278.783 2.662 20 30 CFEDMN C#CCCN(CCOC)Cc1cc(Cl)cc(C#N)c1 ZINC000931072061 649375249 /nfs/dbraw/zinc/37/52/49/649375249.db2.gz YETZHVYJANMDGK-UHFFFAOYSA-N 0 1 276.767 2.683 20 30 CFEDMN N#CC1(CCCCN2CCC[C@H]2c2nnc[nH]2)CCC1 ZINC000931144643 649386312 /nfs/dbraw/zinc/38/63/12/649386312.db2.gz ZIOVQAWWFWIWMK-ZDUSSCGKSA-N 0 1 273.384 2.806 20 30 CFEDMN C=CCCc1ccccc1NC(=O)NC[C@@H]1CCN1C ZINC000931289147 649402280 /nfs/dbraw/zinc/40/22/80/649402280.db2.gz ZATODJJGONTOPB-AWEZNQCLSA-N 0 1 273.380 2.631 20 30 CFEDMN C[C@H](c1cccc(C#N)c1)N1CCc2nccc(N)c2C1 ZINC000931520407 649446749 /nfs/dbraw/zinc/44/67/49/649446749.db2.gz ZHOKODSMWKZVHC-GFCCVEGCSA-N 0 1 278.359 2.655 20 30 CFEDMN C[C@@H](NCc1cc(Cl)cc(C#N)c1)c1ccnn1C ZINC000931559623 649454488 /nfs/dbraw/zinc/45/44/88/649454488.db2.gz GXISBWUJARYPAP-SNVBAGLBSA-N 0 1 274.755 2.796 20 30 CFEDMN C=CCC[C@@H](O)CN1CCc2nc[nH]c2[C@H]1c1ccccc1 ZINC000931795374 649490691 /nfs/dbraw/zinc/49/06/91/649490691.db2.gz WFDQDGHLOBTVLM-CRAIPNDOSA-N 0 1 297.402 2.684 20 30 CFEDMN C[C@@H](CC#N)N(C)C(=O)c1cccc2[nH]c(C(F)F)nc21 ZINC000931942205 649517241 /nfs/dbraw/zinc/51/72/41/649517241.db2.gz UAQPRWGEEYSQSN-QMMMGPOBSA-N 0 1 292.289 2.875 20 30 CFEDMN N#Cc1cncc(CN2CCC[C@H](Cc3nccs3)C2)c1 ZINC000932196710 649562765 /nfs/dbraw/zinc/56/27/65/649562765.db2.gz ZGOMRFNGNLCPBV-CYBMUJFWSA-N 0 1 298.415 2.864 20 30 CFEDMN C#CCN(Cc1ccc(C(F)(F)F)cn1)C(C)C ZINC000932387967 649591666 /nfs/dbraw/zinc/59/16/66/649591666.db2.gz POCVEJWENCBDQK-UHFFFAOYSA-N 0 1 256.271 2.944 20 30 CFEDMN C#CCN(Cc1cc(C#N)ccc1OC)C(C)(C)C ZINC000932462703 649604633 /nfs/dbraw/zinc/60/46/33/649604633.db2.gz CHTUFTCXSQPIAV-UHFFFAOYSA-N 0 1 256.349 2.801 20 30 CFEDMN N#CC1CCC(CN2CCn3nc(C4CC4)cc3C2)CC1 ZINC000932600422 649626857 /nfs/dbraw/zinc/62/68/57/649626857.db2.gz BCGNXNOMTJMBIX-UHFFFAOYSA-N 0 1 284.407 2.906 20 30 CFEDMN CCOC(=O)[C@@H]1CCN(CC#Cc2ccc(Cl)cc2)C1 ZINC000932641901 649632852 /nfs/dbraw/zinc/63/28/52/649632852.db2.gz OHMXYRSQJRHVBT-CQSZACIVSA-N 0 1 291.778 2.577 20 30 CFEDMN CC(C)N1CCC[C@@H]1C(=O)N[C@@](C)(C#N)C1CCCCC1 ZINC000932887136 649657235 /nfs/dbraw/zinc/65/72/35/649657235.db2.gz QMIRCRSURKHFNU-WBVHZDCISA-N 0 1 291.439 2.838 20 30 CFEDMN C#CCC1(NCc2nnc3n2CCCCC3)CCCCC1 ZINC000933264811 649683688 /nfs/dbraw/zinc/68/36/88/649683688.db2.gz FKEBJHMJBHQPNB-UHFFFAOYSA-N 0 1 286.423 2.820 20 30 CFEDMN C#CCC1(N[C@@H](C)c2nnnn2C2CCCCC2)CCC1 ZINC000933297106 649685846 /nfs/dbraw/zinc/68/58/46/649685846.db2.gz XFZCVWMVVJXWCA-ZDUSSCGKSA-N 0 1 287.411 2.775 20 30 CFEDMN CCCNC(=O)[C@@H](C)N1CCC(c2ccc(C#N)cc2)CC1 ZINC000933613573 649706518 /nfs/dbraw/zinc/70/65/18/649706518.db2.gz BUMIEEXHRJQGKL-CQSZACIVSA-N 0 1 299.418 2.652 20 30 CFEDMN C[C@@H]1C[C@@H]1CN1CCO[C@@H](c2ccc(C#N)cc2)C1 ZINC000933632273 649708926 /nfs/dbraw/zinc/70/89/26/649708926.db2.gz QECWCRYJHGWENU-DAXOMENPSA-N 0 1 256.349 2.588 20 30 CFEDMN O=C1C=COC2(CCN(Cc3cccc(F)c3)CC2)C1 ZINC000933657199 649711721 /nfs/dbraw/zinc/71/17/21/649711721.db2.gz NGHBMIVIUZFXFH-UHFFFAOYSA-N 0 1 275.323 2.663 20 30 CFEDMN CC(C)(C#N)CCCC[N@H+]1CCOC[C@@H]1C[C@H]1CCCO1 ZINC000933682138 649713494 /nfs/dbraw/zinc/71/34/94/649713494.db2.gz URUCGDJWFWZLKR-JKSUJKDBSA-N 0 1 294.439 2.976 20 30 CFEDMN C[N@@H+](CC[C@H]1COC(C)(C)O1)Cc1cc(C#N)cs1 ZINC000933771970 649721030 /nfs/dbraw/zinc/72/10/30/649721030.db2.gz WGLROYQSDOIUMV-LBPRGKRZSA-N 0 1 280.393 2.593 20 30 CFEDMN CO[C@@H]1CC[C@H]1N(C)Cc1ccc(C#N)cc1OC(F)F ZINC000934120731 649752585 /nfs/dbraw/zinc/75/25/85/649752585.db2.gz IDULTKKSQCEYTP-CHWSQXEVSA-N 0 1 296.317 2.769 20 30 CFEDMN N#Cc1ccc(C[N@H+]2C[C@@H](Cc3ccccc3)[C@H](O)C2)s1 ZINC000934433151 649786016 /nfs/dbraw/zinc/78/60/16/649786016.db2.gz QKSNSNIYWVKBLF-RHSMWYFYSA-N 0 1 298.411 2.655 20 30 CFEDMN C=CC[C@@H]1CCN1CC(=O)N(C(C)C)C1CCCC1 ZINC000934466243 649789066 /nfs/dbraw/zinc/78/90/66/649789066.db2.gz RCDPJSZQMUVXSE-CQSZACIVSA-N 0 1 264.413 2.816 20 30 CFEDMN C=CC[C@@H]1CCN1Cc1ccc(C(=O)OC)cc1F ZINC000934466339 649789072 /nfs/dbraw/zinc/78/90/72/649789072.db2.gz ZQMYMPLNGMXCCE-CYBMUJFWSA-N 0 1 263.312 2.763 20 30 CFEDMN C=CC[C@@H]1CCN1[C@H](C)C(=O)NCc1ccccc1C ZINC000934470674 649790415 /nfs/dbraw/zinc/79/04/15/649790415.db2.gz DUXNFCYYKUEUKD-GDBMZVCRSA-N 0 1 272.392 2.650 20 30 CFEDMN C=CC[C@H]1CCN1CC(=O)N[C@H](C)c1ccc(F)cc1 ZINC000934470715 649790615 /nfs/dbraw/zinc/79/06/15/649790615.db2.gz QDRSNNDVKXWRDQ-DOMZBBRYSA-N 0 1 276.355 2.653 20 30 CFEDMN C=C(C)CN1CCC[C@@H](NC(=O)c2ccc(F)cc2)C1 ZINC001006585921 651126672 /nfs/dbraw/zinc/12/66/72/651126672.db2.gz NRDIZFBGVYWSRV-OAHLLOKOSA-N 0 1 276.355 2.596 20 30 CFEDMN C=C(C)CN1CCC[C@H](NC(=O)C2C(C)(C)C2(C)C)C1 ZINC001007028630 651130776 /nfs/dbraw/zinc/13/07/76/651130776.db2.gz QECBHPPCORHTKP-ZDUSSCGKSA-N 0 1 278.440 2.825 20 30 CFEDMN C=CCN1CCC[C@H](NC(=O)[C@H]2CCC(C)=C(C)C2)C1 ZINC001007397271 651134403 /nfs/dbraw/zinc/13/44/03/651134403.db2.gz BPCYPVNAMBCDKM-HOTGVXAUSA-N 0 1 276.424 2.890 20 30 CFEDMN C#CCCN1CCC[C@H](NC(=O)c2csc(C)c2C)C1 ZINC001007412288 651134877 /nfs/dbraw/zinc/13/48/77/651134877.db2.gz LZKALNMXDZZZEF-AWEZNQCLSA-N 0 1 290.432 2.582 20 30 CFEDMN C#CCCN1CCC[C@@H](NC(=O)c2csc(C)c2C)C1 ZINC001007412290 651135025 /nfs/dbraw/zinc/13/50/25/651135025.db2.gz LZKALNMXDZZZEF-CQSZACIVSA-N 0 1 290.432 2.582 20 30 CFEDMN C=CCN1CCC[C@@H](NC(=O)c2cc(C)n(CC)c2C)C1 ZINC001007829540 651139031 /nfs/dbraw/zinc/13/90/31/651139031.db2.gz BLVDDWOXCAIYQL-OAHLLOKOSA-N 0 1 289.423 2.505 20 30 CFEDMN C=CCN1CCC[C@H](NC(=O)C2CCC3(CC3)CC2)C1 ZINC001007974791 651140509 /nfs/dbraw/zinc/14/05/09/651140509.db2.gz YDQWOJNYHIRIBK-HNNXBMFYSA-N 0 1 276.424 2.723 20 30 CFEDMN C=CCN1CCC[C@H](NC(=O)[C@@H]2C[C@]2(C)c2ccccc2)C1 ZINC001007999065 651140720 /nfs/dbraw/zinc/14/07/20/651140720.db2.gz RGFRTYBMZHBMQZ-JENIJYKNSA-N 0 1 298.430 2.731 20 30 CFEDMN C=CCN1CCC[C@H](NC(=O)[C@@H]2C[C@@H]3CCCC[C@H]23)C1 ZINC001008011033 651141189 /nfs/dbraw/zinc/14/11/89/651141189.db2.gz WWRIEQTZJVCRCC-YHUYYLMFSA-N 0 1 276.424 2.579 20 30 CFEDMN C=CCN1CCC[C@@H](NC(=O)C(C)(C)C2CCC2)C1 ZINC001008082029 651141737 /nfs/dbraw/zinc/14/17/37/651141737.db2.gz HDGSBLOKFPHWSY-CQSZACIVSA-N 0 1 264.413 2.579 20 30 CFEDMN C=CCN1CCC[C@@H](NC(=O)C(C)(C)c2cccs2)C1 ZINC001008181950 651142823 /nfs/dbraw/zinc/14/28/23/651142823.db2.gz IHANEXVRENIZLP-CYBMUJFWSA-N 0 1 292.448 2.792 20 30 CFEDMN C=CCN1CCC[C@H](NC(=O)C[C@H]2CCCC2(F)F)C1 ZINC001008308022 651146636 /nfs/dbraw/zinc/14/66/36/651146636.db2.gz ARKQCRLZSOZXLZ-OLZOCXBDSA-N 0 1 286.366 2.579 20 30 CFEDMN C=CCN1CCC[C@H](NC(=O)C[C@@H]2CCc3ccccc32)C1 ZINC001008928483 651155104 /nfs/dbraw/zinc/15/51/04/651155104.db2.gz XPDGUNKQLSVMBZ-IRXDYDNUSA-N 0 1 298.430 2.873 20 30 CFEDMN C=CCN1CCC[C@H](NC(=O)c2cccc(Cl)c2)C1 ZINC001009308840 651158345 /nfs/dbraw/zinc/15/83/45/651158345.db2.gz QFWGTUSHTFRRPJ-AWEZNQCLSA-N 0 1 278.783 2.720 20 30 CFEDMN C=CCN1CCC[C@@H](NC(=O)c2ccc3c(c2)CCCC3)C1 ZINC001009427185 651161119 /nfs/dbraw/zinc/16/11/19/651161119.db2.gz SQIXFBSLJOQKTH-GOSISDBHSA-N 0 1 298.430 2.946 20 30 CFEDMN C=CCN1CCC[C@@H](NC(=O)c2c(C)cccc2F)C1 ZINC001009720830 651164028 /nfs/dbraw/zinc/16/40/28/651164028.db2.gz QZXCIGKRTMOYEI-CYBMUJFWSA-N 0 1 276.355 2.514 20 30 CFEDMN C=CCN1CC[C@H](NC(=O)c2ccc(C)nc2C(C)C)C1 ZINC001015425323 651200426 /nfs/dbraw/zinc/20/04/26/651200426.db2.gz SWCOTYBVKXJZNH-AWEZNQCLSA-N 0 1 287.407 2.504 20 30 CFEDMN C=C(C)CN1CC[C@H](NC(=O)c2ccoc2C2CC2)C1 ZINC001015611125 651205897 /nfs/dbraw/zinc/20/58/97/651205897.db2.gz DRHQEYAETORAOR-ZDUSSCGKSA-N 0 1 274.364 2.537 20 30 CFEDMN C=C(C)CN1CC[C@H](NC(=O)c2cccc(Cl)c2F)C1 ZINC001015640429 651207254 /nfs/dbraw/zinc/20/72/54/651207254.db2.gz NLMPYAQPMXSVPN-NSHDSACASA-N 0 1 296.773 2.859 20 30 CFEDMN C=C1CC(C)(C(=O)N[C@@H]2CCN(Cc3ccsc3)C2)C1 ZINC001015676333 651209374 /nfs/dbraw/zinc/20/93/74/651209374.db2.gz JPSUUSAROGCPBZ-CQSZACIVSA-N 0 1 290.432 2.795 20 30 CFEDMN C=CCN1CC[C@@H](NC(=O)c2ccc(F)c3ccccc23)C1 ZINC001015737802 651210788 /nfs/dbraw/zinc/21/07/88/651210788.db2.gz SKCXBBCBAOZASB-CYBMUJFWSA-N 0 1 298.361 2.969 20 30 CFEDMN C=CCN1CC[C@H](NC(=O)c2ccc3nc(C)ccc3c2)C1 ZINC001015882944 651217011 /nfs/dbraw/zinc/21/70/11/651217011.db2.gz ABBKOQSMQPGXTI-INIZCTEOSA-N 0 1 295.386 2.533 20 30 CFEDMN C=CCN1CC[C@@H](NC(=O)c2cccc(C(C)(C)C)c2)C1 ZINC001015886562 651217465 /nfs/dbraw/zinc/21/74/65/651217465.db2.gz DIRUJQWGOKPJGE-MRXNPFEDSA-N 0 1 286.419 2.974 20 30 CFEDMN C=CCN1CC[C@H](NC(=O)c2cc(Cl)cc(Cl)c2)C1 ZINC001016087739 651224196 /nfs/dbraw/zinc/22/41/96/651224196.db2.gz JXJVZUMUUXZDNK-ZDUSSCGKSA-N 0 1 299.201 2.984 20 30 CFEDMN C=CCN1CC[C@H](NC(=O)C2(C3CCCCC3)CC2)C1 ZINC001016113372 651225082 /nfs/dbraw/zinc/22/50/82/651225082.db2.gz JXPHNIQSVISHDC-HNNXBMFYSA-N 0 1 276.424 2.723 20 30 CFEDMN C#CCCN1CC[C@H](NC(=O)c2c(C)csc2Cl)C1 ZINC001016111717 651225291 /nfs/dbraw/zinc/22/52/91/651225291.db2.gz SXDDKNATSGPCPP-NSHDSACASA-N 0 1 296.823 2.537 20 30 CFEDMN CC#CCN1CC[C@H](NC(=O)c2cccc3ccccc32)C1 ZINC001016166361 651226599 /nfs/dbraw/zinc/22/65/99/651226599.db2.gz YWYHHIFUELLEQT-INIZCTEOSA-N 0 1 292.382 2.667 20 30 CFEDMN C=C(C)CN1CC[C@H](NC(=O)c2cc(CC)c(C)s2)C1 ZINC001016208066 651227658 /nfs/dbraw/zinc/22/76/58/651227658.db2.gz RKJVTRAMUOUOFE-AWEZNQCLSA-N 0 1 292.448 2.999 20 30 CFEDMN C=CCN1CC[C@@H](NC(=O)c2cc(C)n(C(C)C)c2C)C1 ZINC001016215255 651227740 /nfs/dbraw/zinc/22/77/40/651227740.db2.gz DMDVQGJBPZAOPR-OAHLLOKOSA-N 0 1 289.423 2.676 20 30 CFEDMN C=CCN1CC[C@H](NC(=O)C2CCC(C)(C)CC2)C1 ZINC001016355864 651231401 /nfs/dbraw/zinc/23/14/01/651231401.db2.gz BNBPKASZRIHWLO-AWEZNQCLSA-N 0 1 264.413 2.579 20 30 CFEDMN C#CCCN1CC[C@H](NC(=O)c2cc3c(cccc3C)o2)C1 ZINC001016369710 651232425 /nfs/dbraw/zinc/23/24/25/651232425.db2.gz VSTUEQSQTMOFIA-AWEZNQCLSA-N 0 1 296.370 2.569 20 30 CFEDMN C=CCN1CC[C@@H](NC(=O)[C@]2(C)CCc3ccccc3C2)C1 ZINC001016447516 651234149 /nfs/dbraw/zinc/23/41/49/651234149.db2.gz NITUKANVZRNLQV-IEBWSBKVSA-N 0 1 298.430 2.558 20 30 CFEDMN C=C(C)CN1C[C@H]2CC[C@@H](C1)N2C(=O)C[C@@H]1C=CCC1 ZINC001017345606 651250483 /nfs/dbraw/zinc/25/04/83/651250483.db2.gz YFTOEUSZFJRPQC-OAGGEKHMSA-N 0 1 274.408 2.594 20 30 CFEDMN C=C(C)CN1C[C@H]2CC[C@@H](C1)N2C(=O)C(C)=C1CCC1 ZINC001017541287 651254060 /nfs/dbraw/zinc/25/40/60/651254060.db2.gz WSHLSDYRHQIXAE-IYBDPMFKSA-N 0 1 274.408 2.738 20 30 CFEDMN C=CCCN1C[C@H]2CC[C@@H](C1)N2C(=O)c1cc2occc2[nH]1 ZINC001017594652 651254357 /nfs/dbraw/zinc/25/43/57/651254357.db2.gz YQBJYLAVRABNGV-BETUJISGSA-N 0 1 299.374 2.626 20 30 CFEDMN C=CCCN1C[C@H]2CC[C@@H](C1)N2C(=O)C1(C2CC2)CCC1 ZINC001017775180 651257213 /nfs/dbraw/zinc/25/72/13/651257213.db2.gz PPTADZDIGLJBAU-IYBDPMFKSA-N 0 1 288.435 2.818 20 30 CFEDMN Oc1ccc(CN=Nc2nc3ccccc3[nH]2)cc1 ZINC000016676098 651259678 /nfs/dbraw/zinc/25/96/78/651259678.db2.gz LQCHWOVOTNHORM-UHFFFAOYSA-N 0 1 252.277 2.715 20 30 CFEDMN C#CCCN1C[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1CCC[C@H]1CC ZINC001017902022 651261083 /nfs/dbraw/zinc/26/10/83/651261083.db2.gz IIZNCAPLKLGZQH-NCOADZHNSA-N 0 1 288.435 2.511 20 30 CFEDMN C=C(Cl)CN[C@H]1CCN(C(=O)C(C)=C2CCCC2)C1 ZINC001018700121 651275040 /nfs/dbraw/zinc/27/50/40/651275040.db2.gz VTTFKJUKHIYHTQ-AWEZNQCLSA-N 0 1 282.815 2.820 20 30 CFEDMN C=C(Cl)CN[C@H]1CCN(C(=O)c2cccc(C)c2F)C1 ZINC001018883163 651276595 /nfs/dbraw/zinc/27/65/95/651276595.db2.gz PSEIZEWLZVCTDV-LBPRGKRZSA-N 0 1 296.773 2.691 20 30 CFEDMN C=C(Cl)CN[C@H]1CCN(C(=O)C(C)(C)C(=C)Cl)C1 ZINC001018909768 651277149 /nfs/dbraw/zinc/27/71/49/651277149.db2.gz BUCRSKSQPCMJMF-NSHDSACASA-N 0 1 291.222 2.708 20 30 CFEDMN C=C(Cl)CN[C@H]1CCN(C(=O)[C@H]2CC[C@H](C)CC2)C1 ZINC001019682221 651288773 /nfs/dbraw/zinc/28/87/73/651288773.db2.gz WKBCFQOUUVLIIW-UBHSHLNASA-N 0 1 284.831 2.756 20 30 CFEDMN C=C(C)CN1CC[C@H]1CN(C)C(=O)[C@@H]1CC12CCCC2 ZINC001085909168 782201296 /nfs/dbraw/zinc/20/12/96/782201296.db2.gz BVGVLRZOFYWLGD-GJZGRUSLSA-N 0 1 276.424 2.676 20 30 CFEDMN C#CCCN1CC[C@@H]1CN(C)C(=O)c1cccc(C2CC2)c1 ZINC001085990906 782230483 /nfs/dbraw/zinc/23/04/83/782230483.db2.gz BNEOVHCFODBRIV-GOSISDBHSA-N 0 1 296.414 2.734 20 30 CFEDMN C#CCCN1CC[C@H]1CN(C)C(=O)c1cccc(C2CC2)c1 ZINC001085990907 782229204 /nfs/dbraw/zinc/22/92/04/782229204.db2.gz BNEOVHCFODBRIV-SFHVURJKSA-N 0 1 296.414 2.734 20 30 CFEDMN C=CCCCN1C[C@H]2C[C@@H](C1)N2C(=O)OC(C)(C)C ZINC001209158581 770007990 /nfs/dbraw/zinc/00/79/90/770007990.db2.gz QRNUXMYDWZMMML-BETUJISGSA-N 0 1 266.385 2.646 20 30 CFEDMN C#CCCN1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H](CC)CCC ZINC001266496792 770209841 /nfs/dbraw/zinc/20/98/41/770209841.db2.gz ZEOZJQZLYRYMIQ-HRCADAONSA-N 0 1 276.424 2.511 20 30 CFEDMN C=C(Cl)CN[C@H](C)CNC(=O)C[C@@H]1CC=CCC1 ZINC001266961539 770772098 /nfs/dbraw/zinc/77/20/98/770772098.db2.gz KEVKIYWQGJZJMO-CHWSQXEVSA-N 0 1 270.804 2.580 20 30 CFEDMN N#C[C@H]1CCC[N@H+](Cc2c([O-])cc(F)cc2F)CC1 ZINC001140583674 770965150 /nfs/dbraw/zinc/96/51/50/770965150.db2.gz QNDVUKLPBLCAPP-JTQLQIEISA-N 0 1 266.291 2.796 20 30 CFEDMN C#C[C@H]1CCC[C@@H]1Oc1[nH]c(=O)nc2cccc(OC)c21 ZINC001229240840 776762712 /nfs/dbraw/zinc/76/27/12/776762712.db2.gz YRBZOYUSCRKIOX-JQWIXIFHSA-N 0 1 284.315 2.525 20 30 CFEDMN C[C@@H](CC(C)(C)S)Oc1n[nH]c(=O)cc1Cl ZINC001233589782 778000132 /nfs/dbraw/zinc/00/01/32/778000132.db2.gz MSPOAUROKMXSRV-LURJTMIESA-N 0 1 262.762 2.701 20 30 CFEDMN C=CCN1CC(CNC(=O)c2ccccc2C2(C)CC2)C1 ZINC001031971476 779691173 /nfs/dbraw/zinc/69/11/73/779691173.db2.gz KBLABMJXVBRYQG-UHFFFAOYSA-N 0 1 284.403 2.586 20 30 CFEDMN C=CCN1CC[C@H](N(CC)C(=O)c2cc3cnccc3o2)C1 ZINC001033883023 780818087 /nfs/dbraw/zinc/81/80/87/780818087.db2.gz AUALOCKIFZQXHV-AWEZNQCLSA-N 0 1 299.374 2.550 20 30 CFEDMN C=CC[N@@H+]1CC[C@@H](N(CC)C(=O)c2ccc(C)c(F)c2)C1 ZINC001033894127 780819059 /nfs/dbraw/zinc/81/90/59/780819059.db2.gz UVDRYHIGXHOWOM-OAHLLOKOSA-N 0 1 290.382 2.857 20 30 CFEDMN C=CCN1CC[C@@H](N(CC)C(=O)c2ccc(C)c(F)c2)C1 ZINC001033894127 780819070 /nfs/dbraw/zinc/81/90/70/780819070.db2.gz UVDRYHIGXHOWOM-OAHLLOKOSA-N 0 1 290.382 2.857 20 30 CFEDMN C#CCN1CC[C@@H](N(CC)C(=O)C2CC(C(C)(C)C)C2)C1 ZINC001034050842 780868125 /nfs/dbraw/zinc/86/81/25/780868125.db2.gz PUCNYEMOLWCOCG-UYSNPLJNSA-N 0 1 290.451 2.615 20 30 CFEDMN C=CCN1CCC[C@@H](NC(=O)CC(C2CC2)C2CC2)C1 ZINC001266252291 769828883 /nfs/dbraw/zinc/82/88/83/769828883.db2.gz QTSUXFOOFSXBFU-OAHLLOKOSA-N 0 1 276.424 2.579 20 30 CFEDMN C=CCOC(=O)N1CCN(CCC/C=C\CC)CC1 ZINC001208138766 769867314 /nfs/dbraw/zinc/86/73/14/769867314.db2.gz RNZFVUSYOYZYDK-WAYWQWQTSA-N 0 1 266.385 2.673 20 30 CFEDMN C[C@H]1CCN(CCCc2cccc(C#N)c2)CCC1=O ZINC001208844906 769946536 /nfs/dbraw/zinc/94/65/36/769946536.db2.gz MNDSJVPSCFYPID-AWEZNQCLSA-N 0 1 270.376 2.792 20 30 CFEDMN C=CC(C)(C)C(=O)N1CC[C@]2(CCN(C/C=C/Cl)C2)C1 ZINC001041538716 769958478 /nfs/dbraw/zinc/95/84/78/769958478.db2.gz BRNBNWQISMHHJQ-WHWKNOJMSA-N 0 1 296.842 2.876 20 30 CFEDMN C=CCCCC(=O)NC[C@@H](C)N(C)Cc1cnccc1C ZINC001282449424 769966746 /nfs/dbraw/zinc/96/67/46/769966746.db2.gz MQBHFXVKURYOLV-OAHLLOKOSA-N 0 1 289.423 2.683 20 30 CFEDMN CC#CCCCC(=O)N[C@H]1CCN(Cc2ccsc2)C1 ZINC001266335763 769977714 /nfs/dbraw/zinc/97/77/14/769977714.db2.gz FAGNGISUQFVZBB-HNNXBMFYSA-N 0 1 290.432 2.632 20 30 CFEDMN C#CCCCCCC(=O)N[C@H]1CCN(C[C@H](F)CC)C1 ZINC001266336688 769979292 /nfs/dbraw/zinc/97/92/92/769979292.db2.gz UKYXWOLVQBPFTE-CABCVRRESA-N 0 1 282.403 2.509 20 30 CFEDMN C=C(C)CN1CC[C@@H](NC(=O)C2(CCCC)CC2)C1 ZINC001266339483 769983575 /nfs/dbraw/zinc/98/35/75/769983575.db2.gz RCDHIDXGYABUQT-CQSZACIVSA-N 0 1 264.413 2.723 20 30 CFEDMN C=C/C(C)=C/CC(=O)N1CCC[C@@H](NCC(=C)Cl)C1 ZINC001209053930 769988647 /nfs/dbraw/zinc/98/86/47/769988647.db2.gz XYZIBBPQBLYLOC-WEKMIXOTSA-N 0 1 282.815 2.842 20 30 CFEDMN C=CC[C@@H](C(=O)N[C@H]1CCN(CC=C)C1)c1ccccc1 ZINC001266360788 770021973 /nfs/dbraw/zinc/02/19/73/770021973.db2.gz CDUNDEOTCUWIPA-DLBZAZTESA-N 0 1 284.403 2.723 20 30 CFEDMN C#CCN1CCC(N(CCC)C(=O)/C=C/C(C)(C)C)CC1 ZINC001266384328 770055668 /nfs/dbraw/zinc/05/56/68/770055668.db2.gz DOAMTLAVTPNJCQ-DHZHZOJOSA-N 0 1 290.451 2.925 20 30 CFEDMN C=CCCCCCCN1CCC[C@H](S(C)(=O)=O)C1 ZINC001209440162 770090788 /nfs/dbraw/zinc/09/07/88/770090788.db2.gz CVXURXUMNBNXQV-AWEZNQCLSA-N 0 1 273.442 2.632 20 30 CFEDMN CC#CC[N@H+](CC)CCNC(=O)[C@H]1CCCC[C@H]1CC ZINC001266425710 770125423 /nfs/dbraw/zinc/12/54/23/770125423.db2.gz ZUKXQRFQWSVWGE-CVEARBPZSA-N 0 1 278.440 2.664 20 30 CFEDMN CC#CCN(CC)CCNC(=O)[C@H]1CCCC[C@H]1CC ZINC001266425710 770125425 /nfs/dbraw/zinc/12/54/25/770125425.db2.gz ZUKXQRFQWSVWGE-CVEARBPZSA-N 0 1 278.440 2.664 20 30 CFEDMN N#Cc1cc(Nc2ccc3[nH]nc(N)c3c2)c(O)cc1F ZINC001209861376 770146083 /nfs/dbraw/zinc/14/60/83/770146083.db2.gz CECMYSUMLUPZDD-UHFFFAOYSA-N 0 1 283.266 2.605 20 30 CFEDMN C[N@H+]1CC[C@H](Nc2ncc(C#N)c3oc(C(C)(C)C)nc32)C1 ZINC001167273035 770195222 /nfs/dbraw/zinc/19/52/22/770195222.db2.gz NSJMGRTYCATPCH-NSHDSACASA-N 0 1 299.378 2.508 20 30 CFEDMN C#CCN1CCC[C@H]1CNC(=O)C[C@@H](C)C1CCCCC1 ZINC001266485783 770202779 /nfs/dbraw/zinc/20/27/79/770202779.db2.gz JDZGRWBJAXMUJL-WBVHZDCISA-N 0 1 290.451 2.807 20 30 CFEDMN C#CCN1CCC[C@H]1CNC(=O)C[C@H](C)C1CCCCC1 ZINC001266485782 770203262 /nfs/dbraw/zinc/20/32/62/770203262.db2.gz JDZGRWBJAXMUJL-RDJZCZTQSA-N 0 1 290.451 2.807 20 30 CFEDMN N#CCCCCN1CCS[C@@H](C(F)(F)F)C1 ZINC000721442737 770431721 /nfs/dbraw/zinc/43/17/21/770431721.db2.gz UVEAYABPAPJIIA-SECBINFHSA-N 0 1 252.305 2.660 20 30 CFEDMN C=C(C)CCN1CC[C@H]1CNC(=O)c1ccoc1Cl ZINC001038204264 770460060 /nfs/dbraw/zinc/46/00/60/770460060.db2.gz HUWCYBGNEYCRGM-NSHDSACASA-N 0 1 282.771 2.703 20 30 CFEDMN Cc1cccc2c1nc(N)n2-c1cc(C#N)cc([N+](=O)[O-])c1 ZINC001211327279 770484752 /nfs/dbraw/zinc/48/47/52/770484752.db2.gz PAUKHLMICAUHBI-UHFFFAOYSA-N 0 1 293.286 2.696 20 30 CFEDMN N#Cc1cnc2ccc(-c3cc(F)c(O)cc3F)cn12 ZINC001211353487 770488857 /nfs/dbraw/zinc/48/88/57/770488857.db2.gz WWFVCHXQMCXBSL-UHFFFAOYSA-N 0 1 271.226 2.857 20 30 CFEDMN C=CC(C)(C)CC(=O)N[C@@H](C)[C@H]1CCCN(CCF)C1 ZINC001266889397 770717019 /nfs/dbraw/zinc/71/70/19/770717019.db2.gz DGUWDVQRJCMSDQ-KBPBESRZSA-N 0 1 284.419 2.775 20 30 CFEDMN C#CC1CCN(Cc2cccc(C(=O)OC)c2Cl)CC1 ZINC000692345326 770756026 /nfs/dbraw/zinc/75/60/26/770756026.db2.gz UQRILZABLVNFIN-UHFFFAOYSA-N 0 1 291.778 2.972 20 30 CFEDMN C=C(Cl)CN[C@H](C)CNC(=O)C(C)(C)C(C)C ZINC001266941927 770759438 /nfs/dbraw/zinc/75/94/38/770759438.db2.gz GUOJNPFYLOUDBD-LLVKDONJSA-N 0 1 260.809 2.515 20 30 CFEDMN Cc1nc(C#N)c(Nc2cccc(CN(C)C)c2F)o1 ZINC001216228265 770807338 /nfs/dbraw/zinc/80/73/38/770807338.db2.gz YMVHQSSCJOCMJN-UHFFFAOYSA-N 0 1 274.299 2.799 20 30 CFEDMN C=CCCC(=O)N1C[C@@H](c2ccccc2)[C@H](NCCF)C1 ZINC001211551416 770949457 /nfs/dbraw/zinc/94/94/57/770949457.db2.gz NOGKKWHUQIQBSG-JKSUJKDBSA-N 0 1 290.382 2.506 20 30 CFEDMN C#CCCCC(=O)NCCN(C)Cc1ccc(Cl)cc1 ZINC001267193510 773198521 /nfs/dbraw/zinc/19/85/21/773198521.db2.gz SRJKWGFILQFAJI-UHFFFAOYSA-N 0 1 292.810 2.692 20 30 CFEDMN C#CCN(CC)CCNC(=O)[C@H](C)CC1CCCCC1 ZINC001267254874 775106294 /nfs/dbraw/zinc/10/62/94/775106294.db2.gz IUZNETHMNOYJJO-OAHLLOKOSA-N 0 1 278.440 2.664 20 30 CFEDMN C=C(C)CCN1CC[C@H]1CNC(=O)c1oc(C)cc1C ZINC001038142392 775108262 /nfs/dbraw/zinc/10/82/62/775108262.db2.gz ZNESRCWVKUBUNX-AWEZNQCLSA-N 0 1 276.380 2.667 20 30 CFEDMN COC[C@@H]1CCCCN1Cc1cc(F)cc(C#N)c1 ZINC000307766129 775114348 /nfs/dbraw/zinc/11/43/48/775114348.db2.gz DGPKASVBEKXQPZ-HNNXBMFYSA-N 0 1 262.328 2.698 20 30 CFEDMN CCOc1ccccc1OCCOC1=C(C)O[C@@H](C)C1=O ZINC001224492365 775202744 /nfs/dbraw/zinc/20/27/44/775202744.db2.gz TXKUQXZYEYOLCG-NSHDSACASA-N 0 1 292.331 2.700 20 30 CFEDMN C=CCCN1CC[C@H]1CNC(=O)c1cccc(C)c1F ZINC001038283327 775218649 /nfs/dbraw/zinc/21/86/49/775218649.db2.gz DMTVGHBQXDCSBL-ZDUSSCGKSA-N 0 1 276.355 2.514 20 30 CFEDMN CC(=Cc1ccc(N(C)C)cc1)c1nc(C)c(C#N)c(=O)[nH]1 ZINC000588611150 775278934 /nfs/dbraw/zinc/27/89/34/775278934.db2.gz XSVNRDKCLUGTBB-LUAWRHEFSA-N 0 1 294.358 2.577 20 30 CFEDMN C[C@H](c1ccccn1)N1CCC[C@H](OCC2(C#N)CC2)C1 ZINC001224948778 775313723 /nfs/dbraw/zinc/31/37/23/775313723.db2.gz RSODOALCQZGQDB-CABCVRRESA-N 0 1 285.391 2.927 20 30 CFEDMN C=C1O[C@H](CC)C(=O)C1OC/C=C/C(=O)OC(C)(C)C ZINC001224999182 775330522 /nfs/dbraw/zinc/33/05/22/775330522.db2.gz XCXYIQNURSSDLR-WSKFYRRCSA-N 0 1 282.336 2.510 20 30 CFEDMN C=CCN1CC[C@H](N(CCC)C(=O)c2ccncc2C)C1 ZINC001267460662 775342131 /nfs/dbraw/zinc/34/21/31/775342131.db2.gz XMMAPVCWKOSOFE-HNNXBMFYSA-N 0 1 287.407 2.503 20 30 CFEDMN N#Cc1cnc2cc(NCCc3ccc(C#N)cc3)c[nH]c1-2 ZINC001167679443 775344672 /nfs/dbraw/zinc/34/46/72/775344672.db2.gz PMWVHGFFYSYZJF-UHFFFAOYSA-N 0 1 287.326 2.961 20 30 CFEDMN C#CCN1CC[C@H](N(CCC)C(=O)CCC2(C)CC2)C1 ZINC001267489063 775386588 /nfs/dbraw/zinc/38/65/88/775386588.db2.gz SWASSTYFUAZSNI-HNNXBMFYSA-N 0 1 276.424 2.513 20 30 CFEDMN CC(C)(O)[C@H]1CCCN1Cc1cc(F)c(C#N)c(F)c1 ZINC001140754720 775405194 /nfs/dbraw/zinc/40/51/94/775405194.db2.gz JJLALACZBVTCNV-CQSZACIVSA-N 0 1 280.318 2.572 20 30 CFEDMN C#CCN[C@@H](CNC(=O)c1cc(C)oc1C)c1ccccc1 ZINC001267516482 775409382 /nfs/dbraw/zinc/40/93/82/775409382.db2.gz DJONJPKCRBBLDA-KRWDZBQOSA-N 0 1 296.370 2.590 20 30 CFEDMN C#CCN[C@@H](CNC(=O)[C@@H](C)CCC)c1ccccc1 ZINC001267517394 775410989 /nfs/dbraw/zinc/41/09/89/775410989.db2.gz PKIDWACFOITUQW-HOCLYGCPSA-N 0 1 272.392 2.503 20 30 CFEDMN C=CC[N@H+]1CCCC[C@H]1CNC(=O)c1cccc2c1CCC2 ZINC001024821631 775427941 /nfs/dbraw/zinc/42/79/41/775427941.db2.gz ROQZMMGPPBWKRM-INIZCTEOSA-N 0 1 298.430 2.946 20 30 CFEDMN C=CCN1CCCC[C@H]1CNC(=O)c1cccc2c1CCC2 ZINC001024821631 775427953 /nfs/dbraw/zinc/42/79/53/775427953.db2.gz ROQZMMGPPBWKRM-INIZCTEOSA-N 0 1 298.430 2.946 20 30 CFEDMN C#CC[N@@H+]1CCCC[C@@H]1CNC(=O)C1CC(C(C)(C)C)C1 ZINC001024820489 775429227 /nfs/dbraw/zinc/42/92/27/775429227.db2.gz ZSSBOSCMFOAHBM-UYSNPLJNSA-N 0 1 290.451 2.663 20 30 CFEDMN C#CCN1CCCC[C@@H]1CNC(=O)C1CC(C(C)(C)C)C1 ZINC001024820489 775429229 /nfs/dbraw/zinc/42/92/29/775429229.db2.gz ZSSBOSCMFOAHBM-UYSNPLJNSA-N 0 1 290.451 2.663 20 30 CFEDMN C[C@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1Oc1ncccc1C#N ZINC001225408971 775445985 /nfs/dbraw/zinc/44/59/85/775445985.db2.gz HMJQHXIGZAZGHD-YOEHRIQHSA-N 0 1 293.370 2.853 20 30 CFEDMN CC#CCN1CC[C@H](N(CCC)C(=O)[C@H]2CC23CCC3)C1 ZINC001267547385 775458591 /nfs/dbraw/zinc/45/85/91/775458591.db2.gz MHHPAKIPYKJKDU-JKSUJKDBSA-N 0 1 288.435 2.513 20 30 CFEDMN C[C@H](C#C[Si](C)(C)C)Oc1cc(O)ccc1[N+](=O)[O-] ZINC001225490529 775478552 /nfs/dbraw/zinc/47/85/52/775478552.db2.gz IWPAOMZEHUVXSS-SNVBAGLBSA-N 0 1 279.368 2.949 20 30 CFEDMN CC#CCN1CCC[C@@H]1[C@@H]1CCCCN1C(=O)C(C)(F)F ZINC001025196052 775565961 /nfs/dbraw/zinc/56/59/61/775565961.db2.gz QPOUGFNPGORNCS-KGLIPLIRSA-N 0 1 298.377 2.510 20 30 CFEDMN CC#CC[N@@H+]1CCC[C@@H]1[C@@H]1CCCCN1C(=O)/C(C)=C\C ZINC001025215742 775572003 /nfs/dbraw/zinc/57/20/03/775572003.db2.gz CGKNHZOFQSBNCR-WCLYRPPWSA-N 0 1 288.435 2.821 20 30 CFEDMN C[C@H](Nc1ccc2c(n1)NCCO2)c1cccc(C#N)c1 ZINC001167709249 775589208 /nfs/dbraw/zinc/58/92/08/775589208.db2.gz LCBILJPAVNXPJV-NSHDSACASA-N 0 1 280.331 2.931 20 30 CFEDMN C=C[C@]1(C)CC[C@H](Oc2[nH]c(=O)ncc2F)C(C)(C)O1 ZINC001225884670 775623889 /nfs/dbraw/zinc/62/38/89/775623889.db2.gz HWWURAODLNFYHK-IINYFYTJSA-N 0 1 282.315 2.602 20 30 CFEDMN C=CC[C@H](C=C)Oc1nc(C(F)(F)F)cc(=O)[nH]1 ZINC001225978732 775654659 /nfs/dbraw/zinc/65/46/59/775654659.db2.gz XIQYHGLFPRFVBY-ZETCQYMHSA-N 0 1 260.215 2.711 20 30 CFEDMN C=C[C@@H](C#CC(C)(C)C)Oc1cccc2[nH]nnc21 ZINC001225992764 775659367 /nfs/dbraw/zinc/65/93/67/775659367.db2.gz VPKIRYIYWATNNY-NSHDSACASA-N 0 1 255.321 2.941 20 30 CFEDMN C=CCC[C@H](C)N1CC(NC(=O)CC2CC(F)(F)C2)C1 ZINC001267650350 775740318 /nfs/dbraw/zinc/74/03/18/775740318.db2.gz LYHQTZQWRNJKNI-NSHDSACASA-N 0 1 286.366 2.577 20 30 CFEDMN C=CCC1(C(=O)NC2CN(C[C@H](C)CC)C2)CCC1 ZINC001267659402 775758067 /nfs/dbraw/zinc/75/80/67/775758067.db2.gz SZNNSPQLHHXGDQ-CYBMUJFWSA-N 0 1 264.413 2.579 20 30 CFEDMN C=CC[C@@H]1CCN(C(=O)c2c3[nH]cnc3ccc2F)C1 ZINC001167721046 775776393 /nfs/dbraw/zinc/77/63/93/775776393.db2.gz YZACWUFTZURBEV-SNVBAGLBSA-N 0 1 273.311 2.740 20 30 CFEDMN C=CCC1(C(=O)N[C@H]2CCN(CC(=C)C)C2)CCCC1 ZINC001267735508 775833376 /nfs/dbraw/zinc/83/33/76/775833376.db2.gz BASGPIAOAGBQDR-HNNXBMFYSA-N 0 1 276.424 2.890 20 30 CFEDMN CCC1=C(Oc2nc3ccc(C)cc3[nH]2)C(=O)[C@H](C)O1 ZINC001226505313 775851063 /nfs/dbraw/zinc/85/10/63/775851063.db2.gz DORRZRLJPUKCGW-VIFPVBQESA-N 0 1 272.304 2.860 20 30 CFEDMN C=CCN1CC[C@@H](N(C)C(=O)[C@@H](CC)CCCC)C1 ZINC001267756459 775885905 /nfs/dbraw/zinc/88/59/05/775885905.db2.gz FWHKJJUKIOPDFH-LSDHHAIUSA-N 0 1 266.429 2.922 20 30 CFEDMN CCN1CC[C@@H](Oc2c(C)cc(C#N)cc2Cl)C1 ZINC001226595168 775886588 /nfs/dbraw/zinc/88/65/88/775886588.db2.gz IRRPQQNUFXSRBF-GFCCVEGCSA-N 0 1 264.756 2.993 20 30 CFEDMN CCN1CC[C@H](Oc2c(C)cc(C#N)cc2Cl)C1 ZINC001226595169 775886611 /nfs/dbraw/zinc/88/66/11/775886611.db2.gz IRRPQQNUFXSRBF-LBPRGKRZSA-N 0 1 264.756 2.993 20 30 CFEDMN C=CC(C)(C)CC(=O)N(C)[C@H]1CCN(C[C@H](F)CC)C1 ZINC001267764460 775894409 /nfs/dbraw/zinc/89/44/09/775894409.db2.gz VNYWMYJBMFPPGO-KGLIPLIRSA-N 0 1 284.419 2.870 20 30 CFEDMN C=C[C@@H](CCC)Oc1ncnc2[nH]nc(Br)c21 ZINC001226667514 775911830 /nfs/dbraw/zinc/91/18/30/775911830.db2.gz ALOUHYAFVUKFQR-ZETCQYMHSA-N 0 1 297.156 2.849 20 30 CFEDMN C=C1O[C@@H](C)C(=O)C1Oc1ccc(NC(C)=O)cc1Cl ZINC001226875370 775999371 /nfs/dbraw/zinc/99/93/71/775999371.db2.gz HJFIEGIRIFJCQI-ZETCQYMHSA-N 0 1 295.722 2.897 20 30 CFEDMN C=C1O[C@H](C)C(=O)C1Oc1cnc(Cl)cc1Cl ZINC001226895021 776005511 /nfs/dbraw/zinc/00/55/11/776005511.db2.gz VNSSZDQKIQJLML-RXMQYKEDSA-N 0 1 274.103 2.987 20 30 CFEDMN C#C[C@H](CC(C)C)Oc1[nH]c(=O)nc2ccccc21 ZINC001226976542 776043403 /nfs/dbraw/zinc/04/34/03/776043403.db2.gz BVTORTONVHTJNG-LLVKDONJSA-N 0 1 256.305 2.762 20 30 CFEDMN C=CCc1c([O-])ccc(C(C)=O)c1O[C@@H]1CC[N@@H+](CC)C1 ZINC001227120876 776106186 /nfs/dbraw/zinc/10/61/86/776106186.db2.gz VQZLVFINVWFXJE-CYBMUJFWSA-N 0 1 289.375 2.796 20 30 CFEDMN C=CCc1c([O-])ccc(C(C)=O)c1O[C@@H]1CC[N@H+](CC)C1 ZINC001227120876 776106195 /nfs/dbraw/zinc/10/61/95/776106195.db2.gz VQZLVFINVWFXJE-CYBMUJFWSA-N 0 1 289.375 2.796 20 30 CFEDMN C=CCN1CCC[C@@H](NC(=O)C2(CCCC)CC2)C1 ZINC001267966004 776132404 /nfs/dbraw/zinc/13/24/04/776132404.db2.gz BXJXYYAOXVIRFF-CQSZACIVSA-N 0 1 264.413 2.723 20 30 CFEDMN CCC(=O)[C@@H](CC)Oc1nc2ccc(C#N)cc2[nH]1 ZINC001227217022 776142458 /nfs/dbraw/zinc/14/24/58/776142458.db2.gz ZHCOIIJVNXBDHK-CYBMUJFWSA-N 0 1 257.293 2.571 20 30 CFEDMN CCC1=C(Oc2nc3cccc(C)c3[nH]2)C(=O)[C@H](C)O1 ZINC001227267508 776164349 /nfs/dbraw/zinc/16/43/49/776164349.db2.gz DHEAAJZKODUVHZ-VIFPVBQESA-N 0 1 272.304 2.860 20 30 CFEDMN C=C[C@@H](C#CC(C)(C)C)Oc1[nH]c(=O)nc2[nH]ccc21 ZINC001227274644 776167832 /nfs/dbraw/zinc/16/78/32/776167832.db2.gz OGDVQHVHDMKYDJ-JTQLQIEISA-N 0 1 271.320 2.646 20 30 CFEDMN C[C@H](CC(C)(C)S)Oc1[nH]c(=O)nc2[nH]ccc21 ZINC001227274992 776168180 /nfs/dbraw/zinc/16/81/80/776168180.db2.gz RWRAPEOWMUTBPO-SSDOTTSWSA-N 0 1 267.354 2.529 20 30 CFEDMN C=C[C@H](CC)Oc1[nH]c(=O)nc2cc(OC)c(OC)cc21 ZINC001227280168 776169063 /nfs/dbraw/zinc/16/90/63/776169063.db2.gz CVZAEWKVVVUGIG-SECBINFHSA-N 0 1 290.319 2.696 20 30 CFEDMN CCC[C@@H](C#Cc1ccccc1)Oc1ncnc2nc[nH]c21 ZINC001227534184 776222673 /nfs/dbraw/zinc/22/26/73/776222673.db2.gz KWIGZDUWEUTZBK-AWEZNQCLSA-N 0 1 292.342 2.952 20 30 CFEDMN C=C[C@]1(C)CC[C@@H](Oc2[nH]c(=S)nnc2C)C(C)(C)O1 ZINC001227602617 776239457 /nfs/dbraw/zinc/23/94/57/776239457.db2.gz UHZBVHIBFWCNSN-QMTHXVAHSA-N 0 1 295.408 2.750 20 30 CFEDMN N#C[C@H](C(=O)Cn1ccc2ccccc21)c1ccccn1 ZINC000125469251 776316631 /nfs/dbraw/zinc/31/66/31/776316631.db2.gz IFNGEOXQCMMYRZ-AWEZNQCLSA-N 0 1 275.311 2.913 20 30 CFEDMN C=CCN1CCC[C@@H](NC(=O)C2CC(c3ccccc3)C2)C1 ZINC001009698753 776330821 /nfs/dbraw/zinc/33/08/21/776330821.db2.gz SYXUOMZQJCJMPJ-DAWZGUTISA-N 0 1 298.430 2.947 20 30 CFEDMN C=C1O[C@@H](C)C(=O)C1Oc1ccc(C(=O)OC)c(Cl)c1 ZINC001227936639 776333357 /nfs/dbraw/zinc/33/33/57/776333357.db2.gz KOZAEMGXOGGZBR-ZETCQYMHSA-N 0 1 296.706 2.725 20 30 CFEDMN C=C1O[C@@H](C)C(=O)C1Oc1ccc(COCC)cc1OC ZINC001228160804 776413345 /nfs/dbraw/zinc/41/33/45/776413345.db2.gz OAUMBIXDOVNFFA-JTQLQIEISA-N 0 1 292.331 2.830 20 30 CFEDMN CCCCCCNC(=O)C(C#N)C(=O)CSC(C)(C)C ZINC000125681863 776415688 /nfs/dbraw/zinc/41/56/88/776415688.db2.gz FBETYHNXUAFZEQ-LBPRGKRZSA-N 0 1 298.452 2.923 20 30 CFEDMN CCC1=C(Oc2ccc3nc(C)[nH]c3c2)C(=O)[C@H](C)O1 ZINC001228326621 776461474 /nfs/dbraw/zinc/46/14/74/776461474.db2.gz JLUJWPPKXQYTOO-QMMMGPOBSA-N 0 1 272.304 2.860 20 30 CFEDMN C=CC[C@@H](Oc1nc(O)cc(=O)[nH]1)c1ccccc1 ZINC001228388292 776479101 /nfs/dbraw/zinc/47/91/01/776479101.db2.gz GZXDLILBTQPYDW-LLVKDONJSA-N 0 1 258.277 2.584 20 30 CFEDMN CC#CCN1CCC[C@H]1CNC(=O)c1ccc2occc2c1 ZINC001027900041 776499272 /nfs/dbraw/zinc/49/92/72/776499272.db2.gz UKWCCGRWHUCWCR-INIZCTEOSA-N 0 1 296.370 2.650 20 30 CFEDMN C=C(C)CN1CCC[C@H]1CNC(=O)c1conc1C(C)C ZINC001027924699 776513876 /nfs/dbraw/zinc/51/38/76/776513876.db2.gz LXISZWAHDRGNIN-ZDUSSCGKSA-N 0 1 291.395 2.568 20 30 CFEDMN C=CCN1CCC[C@@H]1CNC(=O)c1cc2c(o1)CCCC2 ZINC001027927478 776514758 /nfs/dbraw/zinc/51/47/58/776514758.db2.gz RMTJGNQHVCAFMI-CQSZACIVSA-N 0 1 288.391 2.539 20 30 CFEDMN CC#CCN1CCC(NC(=O)C(C)(C)C(C)(C)C)CC1 ZINC001228644550 776550905 /nfs/dbraw/zinc/55/09/05/776550905.db2.gz VPWKJRPVICWUMV-UHFFFAOYSA-N 0 1 278.440 2.663 20 30 CFEDMN CC#CCCCC(=O)NC1CCN(C/C=C\Cl)CC1 ZINC001228779268 776608704 /nfs/dbraw/zinc/60/87/04/776608704.db2.gz JZDPVSPUCKOLRC-POHAHGRESA-N 0 1 282.815 2.513 20 30 CFEDMN C#C[C@H](CC)Oc1[nH]c(=O)nc2ccc(Cl)cc21 ZINC001228911529 776656318 /nfs/dbraw/zinc/65/63/18/776656318.db2.gz DEQWSIYTTYLFIH-SECBINFHSA-N 0 1 262.696 2.779 20 30 CFEDMN C=CCN1CCC[C@@H]1CNC(=O)c1cc(F)ccc1Cl ZINC001028159524 776670884 /nfs/dbraw/zinc/67/08/84/776670884.db2.gz GXFYPNTYTWMTPU-GFCCVEGCSA-N 0 1 296.773 2.859 20 30 CFEDMN C=CCN1CCC[C@@H]1CNC(=O)c1cc(C)cc(F)c1 ZINC001028159957 776671282 /nfs/dbraw/zinc/67/12/82/776671282.db2.gz YRSUGFHPBDHIAI-OAHLLOKOSA-N 0 1 276.355 2.514 20 30 CFEDMN C=C[C@@H](C#CC(C)(C)C)Oc1nnc2c[nH]ccc1-2 ZINC001228994496 776683087 /nfs/dbraw/zinc/68/30/87/776683087.db2.gz DQGBCFZUDPHKMF-NSHDSACASA-N 0 1 255.321 2.941 20 30 CFEDMN C=C(C)[C@H]1CC=C(C)[C@@H](Oc2[nH]c(=O)[nH]c(=O)c2F)C1 ZINC001229120079 776725017 /nfs/dbraw/zinc/72/50/17/776725017.db2.gz PVACZSJYMMAHBN-UWVGGRQHSA-N 0 1 280.299 2.707 20 30 CFEDMN C#C[C@@H]1CCC[C@H]1Oc1[nH]c(=O)nc2cc(OC)ccc21 ZINC001229137893 776730758 /nfs/dbraw/zinc/73/07/58/776730758.db2.gz PDVIYHSRZUEVPY-QMTHXVAHSA-N 0 1 284.315 2.525 20 30 CFEDMN C#CCCCCC(=O)NC1CN(C[C@@H](C)CC(C)C)C1 ZINC001268278833 776734404 /nfs/dbraw/zinc/73/44/04/776734404.db2.gz BGDNOOXGLHZKCN-HNNXBMFYSA-N 0 1 278.440 2.663 20 30 CFEDMN C=C(C)CN1CC[C@@H]1CNC(=O)c1cc(C)ccc1C ZINC001038961909 776745671 /nfs/dbraw/zinc/74/56/71/776745671.db2.gz RLFJRYJRLOWXBW-OAHLLOKOSA-N 0 1 272.392 2.684 20 30 CFEDMN C#C[C@H](C)Oc1ccc2c(c1)C(=O)c1ccc(O)cc1C2=O ZINC001229191792 776750215 /nfs/dbraw/zinc/75/02/15/776750215.db2.gz DEVOXWCHADKXDU-JTQLQIEISA-N 0 1 292.290 2.568 20 30 CFEDMN C=CCN1CCC[C@H]1CNC(=O)c1occ2c1CCCC2 ZINC001028287908 776827355 /nfs/dbraw/zinc/82/73/55/776827355.db2.gz VPLNHAQPTYGXHC-AWEZNQCLSA-N 0 1 288.391 2.539 20 30 CFEDMN C=CCN1CCC[C@H]1CNC(=O)c1ccc(C(F)F)o1 ZINC001028290266 776828992 /nfs/dbraw/zinc/82/89/92/776828992.db2.gz QLLDPBHVXVTBOJ-JTQLQIEISA-N 0 1 284.306 2.597 20 30 CFEDMN CC#CCN1CCC[C@H]1CNC(=O)c1cccc(C)c1C ZINC001028295530 776840802 /nfs/dbraw/zinc/84/08/02/776840802.db2.gz JOEVZNYIOBUNHZ-INIZCTEOSA-N 0 1 284.403 2.521 20 30 CFEDMN C#CCCCC(=O)NCCN[C@@H](C)c1ccccc1Cl ZINC001126356886 776857782 /nfs/dbraw/zinc/85/77/82/776857782.db2.gz RQGDAYKMEHIFOU-ZDUSSCGKSA-N 0 1 292.810 2.910 20 30 CFEDMN C/C(=N\[O-])c1ccccc1O[C@@H]1CC[N@@H+](C(C)C)C1 ZINC001229736662 776883541 /nfs/dbraw/zinc/88/35/41/776883541.db2.gz GPDRKXKQKWRMII-MLDYKZIASA-N 0 1 262.353 2.746 20 30 CFEDMN C/C(=N\[O-])c1ccccc1O[C@@H]1CC[N@H+](C(C)C)C1 ZINC001229736662 776883547 /nfs/dbraw/zinc/88/35/47/776883547.db2.gz GPDRKXKQKWRMII-MLDYKZIASA-N 0 1 262.353 2.746 20 30 CFEDMN C=C1O[C@H](CC)C(=O)C1Oc1ccc(C(=O)COC)cc1 ZINC001229740967 776884977 /nfs/dbraw/zinc/88/49/77/776884977.db2.gz KNJQVIIMQRBXQH-CQSZACIVSA-N 0 1 290.315 2.504 20 30 CFEDMN CCC1=C(Oc2cc([N+](=O)[O-])c(C)cc2O)C(=O)[C@@H](C)O1 ZINC001229749948 776885887 /nfs/dbraw/zinc/88/58/87/776885887.db2.gz ISDOIZGDLHCQOU-MRVPVSSYSA-N 0 1 293.275 2.597 20 30 CFEDMN CN(C)Cc1cc(F)ccc1O[C@@H]1CC[C@H](C#N)C1 ZINC001229855529 776904388 /nfs/dbraw/zinc/90/43/88/776904388.db2.gz ZDFJANWZXSIMRA-SMDDNHRTSA-N 0 1 262.328 2.958 20 30 CFEDMN C=C(C)CN1CC[C@H](c2ccc(F)cc2)[C@H](NC(C)=O)C1 ZINC001087460506 776942243 /nfs/dbraw/zinc/94/22/43/776942243.db2.gz NGSIBLPWQLBJMJ-IAGOWNOFSA-N 0 1 290.382 2.696 20 30 CFEDMN C=C[C@@H](C)Oc1nc2cccc(N3CCN(C)CC3)c2o1 ZINC001230103412 776954826 /nfs/dbraw/zinc/95/48/26/776954826.db2.gz INEJMXSVKPLGPX-GFCCVEGCSA-N 0 1 287.363 2.533 20 30 CFEDMN CCC#C[C@@H](C)Oc1cc2[nH]ncc2cc1[N+](=O)[O-] ZINC001230602051 777023774 /nfs/dbraw/zinc/02/37/74/777023774.db2.gz VEPSAHHDVJCNAM-SECBINFHSA-N 0 1 259.265 2.652 20 30 CFEDMN C=CCN(CCCNC(=O)C1CC=CC1)Cc1cccnc1 ZINC001230720284 777051130 /nfs/dbraw/zinc/05/11/30/777051130.db2.gz AGDJETAGKHEECO-UHFFFAOYSA-N 0 1 299.418 2.542 20 30 CFEDMN C#CCCN1CC[C@@H]1CN(C)C(=O)[C@@H](CC)CCCC ZINC001230844373 777073332 /nfs/dbraw/zinc/07/33/32/777073332.db2.gz KFFMSPOWBCGDPU-JKSUJKDBSA-N 0 1 278.440 2.759 20 30 CFEDMN C=C(C)CN1CC[C@@H]1CN(C)C(=O)C(CC)CC ZINC001230834781 777073935 /nfs/dbraw/zinc/07/39/35/777073935.db2.gz LZNQJBNUTDJQPB-CQSZACIVSA-N 0 1 252.402 2.531 20 30 CFEDMN C=CCN1CC(CNC(=O)[C@H](CC)c2ccc(F)cc2)C1 ZINC001268917110 777074761 /nfs/dbraw/zinc/07/47/61/777074761.db2.gz KWBBJHFFELQIJY-MRXNPFEDSA-N 0 1 290.382 2.553 20 30 CFEDMN CCC#C[C@H](C)Oc1[nH]c(=O)nc2ccc(OC)cc21 ZINC001230861714 777076002 /nfs/dbraw/zinc/07/60/02/777076002.db2.gz GDULCNWHPBDOFN-JTQLQIEISA-N 0 1 272.304 2.525 20 30 CFEDMN C#C[C@@H](CCC)Oc1[nH]c(=O)nc2cc(F)ccc21 ZINC001230885866 777081944 /nfs/dbraw/zinc/08/19/44/777081944.db2.gz ZCYYVLQCQDKUSE-JTQLQIEISA-N 0 1 260.268 2.655 20 30 CFEDMN C#CC[C@@H](C)Oc1[nH]c(=O)nc2cccc(Cl)c21 ZINC001230886173 777082246 /nfs/dbraw/zinc/08/22/46/777082246.db2.gz PDTWDFHWQKYWBZ-MRVPVSSYSA-N 0 1 262.696 2.779 20 30 CFEDMN C=CCN1CC[C@H](NC(=O)CC[C@H](C)c2ccccc2)C1 ZINC001269069074 777096117 /nfs/dbraw/zinc/09/61/17/777096117.db2.gz GVUPWEBAKYXNBF-RDJZCZTQSA-N 0 1 286.419 2.947 20 30 CFEDMN C=CCN1CC[C@@H](N(C)C(=O)[C@@H](C)C(CC)CC)C1 ZINC001269250364 777149673 /nfs/dbraw/zinc/14/96/73/777149673.db2.gz DNDSTQWATDXHIU-DZGCQCFKSA-N 0 1 266.429 2.777 20 30 CFEDMN C#CCN1CC[C@@H](N(C)C(=O)CCCC[C@H](C)CC)C1 ZINC001269246292 777150131 /nfs/dbraw/zinc/15/01/31/777150131.db2.gz VIOCJADFMPKKPT-HZPDHXFCSA-N 0 1 278.440 2.759 20 30 CFEDMN C=CCN1CC[C@@H]1CN(C)C(=O)C[C@H](C)CCC ZINC001231132324 777151842 /nfs/dbraw/zinc/15/18/42/777151842.db2.gz SCDWUQMOBJQACQ-ZIAGYGMSSA-N 0 1 252.402 2.531 20 30 CFEDMN C=C(C)CN1CC[C@@H]1CN(C)C(=O)C[C@@H](C)C(C)C ZINC001231177946 777166965 /nfs/dbraw/zinc/16/69/65/777166965.db2.gz GUBUUUCZIRDJQR-HUUCEWRRSA-N 0 1 266.429 2.777 20 30 CFEDMN C#CCCN1CC[C@H]1CNC(=O)[C@@H](C)c1ccc(CC)cc1 ZINC001269321101 777169197 /nfs/dbraw/zinc/16/91/97/777169197.db2.gz OVQZAJFXKULZOA-YJBOKZPZSA-N 0 1 298.430 2.566 20 30 CFEDMN CC(C)CC(=O)NCCCN(C)Cc1ccccc1C#N ZINC001231319904 777191296 /nfs/dbraw/zinc/19/12/96/777191296.db2.gz QAHUJNALOQFLCY-UHFFFAOYSA-N 0 1 287.407 2.542 20 30 CFEDMN C#C[C@@H]1CCC[C@@H]1Oc1[nH]c(=O)nc2c(OC)cccc12 ZINC001231347437 777197225 /nfs/dbraw/zinc/19/72/25/777197225.db2.gz LBVOKVSFVHBZLI-PWSUYJOCSA-N 0 1 284.315 2.525 20 30 CFEDMN N#C[C@H]1CCC[N@H+](Cc2cc(C(=O)[O-])ccc2F)CC1 ZINC001231459213 777226250 /nfs/dbraw/zinc/22/62/50/777226250.db2.gz VIFNVQQFHPYZMQ-NSHDSACASA-N 0 1 276.311 2.650 20 30 CFEDMN CCCCCCCN1CC(N(C)C(=O)c2ccn(C)c2)C1 ZINC001269773339 777247651 /nfs/dbraw/zinc/24/76/51/777247651.db2.gz UJAZTNKPDJOWHE-UHFFFAOYSA-N 0 1 291.439 2.752 20 30 CFEDMN C#Cc1cccc(CN2CCc3cc(CO)ccc3C2)c1 ZINC001231658570 777296566 /nfs/dbraw/zinc/29/65/66/777296566.db2.gz ZFQBPELEUXAFDV-UHFFFAOYSA-N 0 1 277.367 2.719 20 30 CFEDMN CC1(C#N)CCN(Cc2cc3cc[nH]c3cn2)CC1 ZINC001231669651 777303967 /nfs/dbraw/zinc/30/39/67/777303967.db2.gz JPCWVWFOOXFEMU-UHFFFAOYSA-N 0 1 254.337 2.689 20 30 CFEDMN C#CCN1CCN(Cc2ccc(CCCC)cc2)CC1 ZINC001231782965 777332987 /nfs/dbraw/zinc/33/29/87/777332987.db2.gz VYNZKXZLZHNHEJ-UHFFFAOYSA-N 0 1 270.420 2.780 20 30 CFEDMN COc1cc(N(C)C)ccc1C[N@H+]1CCC[C@@H](C#N)CC1 ZINC001231853063 777352398 /nfs/dbraw/zinc/35/23/98/777352398.db2.gz DPYZEEGEHUOEFG-CQSZACIVSA-N 0 1 287.407 2.887 20 30 CFEDMN C[C@@H](C#C[Si](C)(C)C)Oc1cccc2[nH]nnc21 ZINC001225990923 777363956 /nfs/dbraw/zinc/36/39/56/777363956.db2.gz NMYIMMXSKJEKDF-JTQLQIEISA-N 0 1 259.385 2.606 20 30 CFEDMN CC#CC[N@H+]1CC[C@H](CNC(=O)[C@@H]2CCCC(C)(C)C2)C1 ZINC001029009951 777377142 /nfs/dbraw/zinc/37/71/42/777377142.db2.gz WSKSEQTWOZCZEN-HZPDHXFCSA-N 0 1 290.451 2.664 20 30 CFEDMN N#C[C@@H]1CN(Cc2ccc3ccnc(Cl)c3c2)CCC1=O ZINC001231980201 777400447 /nfs/dbraw/zinc/40/04/47/777400447.db2.gz AJKGFLFVTAYJQP-CYBMUJFWSA-N 0 1 299.761 2.803 20 30 CFEDMN N#CC[C@@H]1CCCN(Cc2cc3ncccc3[nH]2)C1 ZINC001232065479 777427595 /nfs/dbraw/zinc/42/75/95/777427595.db2.gz XTULRRHFYBQLRU-LBPRGKRZSA-N 0 1 254.337 2.689 20 30 CFEDMN C[C@@H]1CO[C@@H]2CN(Cc3ccc(C#N)c(Cl)c3)C[C@H]12 ZINC001232117130 777445907 /nfs/dbraw/zinc/44/59/07/777445907.db2.gz VGVZGVYNKJMPRR-WDBKCZKBSA-N 0 1 276.767 2.678 20 30 CFEDMN Cc1ccc2nc([C@H]3CCCN3C(=O)NCCC#N)[nH]c2c1 ZINC000336634267 777452804 /nfs/dbraw/zinc/45/28/04/777452804.db2.gz VEEYTRRHCSPGRA-CQSZACIVSA-N 0 1 297.362 2.632 20 30 CFEDMN CC#CC(=O)N1CC2(CCN2C[C@H](CC)CCCC)C1 ZINC001270712962 777464999 /nfs/dbraw/zinc/46/49/99/777464999.db2.gz MUDGZNDOVGAYHY-OAHLLOKOSA-N 0 1 276.424 2.513 20 30 CFEDMN C=C(Cl)CNC[C@@H](C1CC1)N(C)C(=O)C1CC=CC1 ZINC001277629517 777472615 /nfs/dbraw/zinc/47/26/15/777472615.db2.gz LCAZXHACRMVCEH-AWEZNQCLSA-N 0 1 282.815 2.532 20 30 CFEDMN C=CCN(C)Cc1cnc(Br)cc1C ZINC001232319664 777519767 /nfs/dbraw/zinc/51/97/67/777519767.db2.gz KQAJYKZGOUUSND-UHFFFAOYSA-N 0 1 255.159 2.770 20 30 CFEDMN C=CCN(C)Cc1ccc(Br)nc1C ZINC001232324533 777519835 /nfs/dbraw/zinc/51/98/35/777519835.db2.gz ZIRJCNCSZNYLGM-UHFFFAOYSA-N 0 1 255.159 2.770 20 30 CFEDMN COc1cc(C)c(CN2CCC[C@@H](C#N)CC2)cn1 ZINC001232352950 777534684 /nfs/dbraw/zinc/53/46/84/777534684.db2.gz YBVWXKBYQZWSFJ-CYBMUJFWSA-N 0 1 259.353 2.524 20 30 CFEDMN C#C[C@@H](CCC)Oc1[nH]c(=O)nc2nc(Cl)ccc21 ZINC001226555643 777572073 /nfs/dbraw/zinc/57/20/73/777572073.db2.gz DZBPDVMHFOVROG-QMMMGPOBSA-N 0 1 277.711 2.565 20 30 CFEDMN N#Cc1ccc([O-])c(C[N@H+]2CC[C@H]3CCC[C@@H]3C2)c1 ZINC001232676087 777638145 /nfs/dbraw/zinc/63/81/45/777638145.db2.gz YKSZFOXBFCGVRE-ZIAGYGMSSA-N 0 1 256.349 2.886 20 30 CFEDMN C[C@H]1C[N@@H+](Cc2cc(C#N)ccc2[O-])CCC1(F)F ZINC001232674264 777639053 /nfs/dbraw/zinc/63/90/53/777639053.db2.gz UUPGQSFUVVNBTA-JTQLQIEISA-N 0 1 266.291 2.741 20 30 CFEDMN C[C@H]1C(=O)CC[N@@H+](Cc2cc(C#N)ccc2[O-])C12CCCC2 ZINC001232680967 777639802 /nfs/dbraw/zinc/63/98/02/777639802.db2.gz JFINMUBIPMPRAI-ZDUSSCGKSA-N 0 1 298.386 2.988 20 30 CFEDMN N#Cc1ccc(O)c(CN2Cc3cccc(F)c3C2)c1 ZINC001232680045 777639829 /nfs/dbraw/zinc/63/98/29/777639829.db2.gz XHQBNXSWSQNGDH-UHFFFAOYSA-N 0 1 268.291 2.919 20 30 CFEDMN C[N@@H+](Cc1ccccc1O)Cc1cc(C#N)ccc1[O-] ZINC001232678579 777640352 /nfs/dbraw/zinc/64/03/52/777640352.db2.gz IMBIAAAZZHUHML-UHFFFAOYSA-N 0 1 268.316 2.601 20 30 CFEDMN N#Cc1ccc([O-])c(C[N@H+]2CC[C@@H](Oc3ccccc3)C2)c1 ZINC001232680230 777640419 /nfs/dbraw/zinc/64/04/19/777640419.db2.gz ZTRFGBPGFZJGEQ-QGZVFWFLSA-N 0 1 294.354 2.917 20 30 CFEDMN COCC[C@H]1CCCC[N@H+]1Cc1cc(C#N)ccc1[O-] ZINC001232679759 777640563 /nfs/dbraw/zinc/64/05/63/777640563.db2.gz ROQLRAPXJZHHRJ-OAHLLOKOSA-N 0 1 274.364 2.655 20 30 CFEDMN C#CCN1CC[C@H](NC(=O)c2ccc(C=C)cc2)[C@H]1CC ZINC001087736476 777690413 /nfs/dbraw/zinc/69/04/13/777690413.db2.gz SJNQZFJNPANMKC-DLBZAZTESA-N 0 1 282.387 2.546 20 30 CFEDMN CCCCN1CCN(Cc2ccc(C#N)s2)CC1 ZINC001232844120 777690573 /nfs/dbraw/zinc/69/05/73/777690573.db2.gz RAALMRPXMNYUGZ-UHFFFAOYSA-N 0 1 263.410 2.537 20 30 CFEDMN Cc1cccnc1O[C@@H]1CC[N@@H+](Cc2ccc(C#N)s2)C1 ZINC001232845213 777691342 /nfs/dbraw/zinc/69/13/42/777691342.db2.gz PFJKKMLKVHTVAL-CYBMUJFWSA-N 0 1 299.399 2.977 20 30 CFEDMN Cc1cccnc1O[C@@H]1CCN(Cc2ccc(C#N)s2)C1 ZINC001232845213 777691347 /nfs/dbraw/zinc/69/13/47/777691347.db2.gz PFJKKMLKVHTVAL-CYBMUJFWSA-N 0 1 299.399 2.977 20 30 CFEDMN C#CCN1CC[C@H](NC(=O)c2ccc(Cl)cc2)[C@H]1CC ZINC001087804894 777701133 /nfs/dbraw/zinc/70/11/33/777701133.db2.gz BTYNVNHIFZUFQH-LSDHHAIUSA-N 0 1 290.794 2.556 20 30 CFEDMN CC#CCN1CC[C@H](NC(=O)c2cccc(C)c2C)[C@H]1CC ZINC001087816431 777706470 /nfs/dbraw/zinc/70/64/70/777706470.db2.gz MNKURAFVUKDXDY-ZWKOTPCHSA-N 0 1 298.430 2.909 20 30 CFEDMN C=CCN1CC[C@H](NC(=O)c2ccc(F)s2)[C@H]1CC ZINC001087846078 777719898 /nfs/dbraw/zinc/71/98/98/777719898.db2.gz HOLAFHSIQFFNGI-WDEREUQCSA-N 0 1 282.384 2.656 20 30 CFEDMN Cc1ccc(CN2CCC3(C[C@@H]3CCO)CC2)c(C#N)c1 ZINC001232963145 777741575 /nfs/dbraw/zinc/74/15/75/777741575.db2.gz BEHVISLQAGLTEZ-KRWDZBQOSA-N 0 1 284.403 2.851 20 30 CFEDMN Cc1ccc(CN2CC[C@H](OC(C)C)C2)c(C#N)c1 ZINC001232967383 777742512 /nfs/dbraw/zinc/74/25/12/777742512.db2.gz KIMGWCZXPIFGAU-INIZCTEOSA-N 0 1 258.365 2.866 20 30 CFEDMN CCC1(O)CCN(Cc2ccc(C)cc2C#N)CC1 ZINC001232967129 777743334 /nfs/dbraw/zinc/74/33/34/777743334.db2.gz CYBKWHOJNJWTEV-UHFFFAOYSA-N 0 1 258.365 2.604 20 30 CFEDMN N#C[C@H]1CCCN(Cc2cc(Cl)ncc2O)CC1 ZINC001233034945 777771559 /nfs/dbraw/zinc/77/15/59/777771559.db2.gz TVFDHMJRWNCSKV-JTQLQIEISA-N 0 1 265.744 2.566 20 30 CFEDMN CN(C)c1ccc(CN2CC3CC(C3)C2)c(F)c1C#N ZINC001233102803 777795022 /nfs/dbraw/zinc/79/50/22/777795022.db2.gz NYRPYKAZXQGGJI-UHFFFAOYSA-N 0 1 273.355 2.605 20 30 CFEDMN COCCN(Cc1ccc(N(C)C)c(C#N)c1F)C(C)C ZINC001233101073 777795499 /nfs/dbraw/zinc/79/54/99/777795499.db2.gz QJJOUUSGPRTXJE-UHFFFAOYSA-N 0 1 293.386 2.620 20 30 CFEDMN N#CCC1CCN(Cc2[nH]nc3cc(F)ccc32)CC1 ZINC001233122550 777801649 /nfs/dbraw/zinc/80/16/49/777801649.db2.gz ADWYODLUTJFHRI-UHFFFAOYSA-N 0 1 272.327 2.828 20 30 CFEDMN N#C[C@@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1c([O-])ccc(F)c1F ZINC001233335200 777892354 /nfs/dbraw/zinc/89/23/54/777892354.db2.gz LJFLWPPQABXJHN-RTCCRHLQSA-N 0 1 278.302 2.937 20 30 CFEDMN CCCC[N@@H+](CCC#N)Cc1ccc(C#N)cc1[O-] ZINC001233385886 777926071 /nfs/dbraw/zinc/92/60/71/777926071.db2.gz WYTCPXLZMRMLDD-UHFFFAOYSA-N 0 1 257.337 2.780 20 30 CFEDMN N#Cc1ccc(C[N@@H+]2CCc3c(O)cccc3C2)c([O-])c1 ZINC001233383524 777927538 /nfs/dbraw/zinc/92/75/38/777927538.db2.gz LCNPIMMFPGABSR-UHFFFAOYSA-N 0 1 280.327 2.528 20 30 CFEDMN C=C1O[C@H](C)C(=O)C1Oc1c(F)cc(OCC)cc1F ZINC001227849771 777941199 /nfs/dbraw/zinc/94/11/99/777941199.db2.gz GLBQWANVWCPOMC-SSDOTTSWSA-N 0 1 284.258 2.962 20 30 CFEDMN C=C1O[C@@H](C)C(=O)C1Oc1c(F)cc(OCC)cc1F ZINC001227849772 777941400 /nfs/dbraw/zinc/94/14/00/777941400.db2.gz GLBQWANVWCPOMC-ZETCQYMHSA-N 0 1 284.258 2.962 20 30 CFEDMN C=C(C)CN1CC[C@H]1CN(C)C(=O)CCC1CCC1 ZINC001233521279 777977096 /nfs/dbraw/zinc/97/70/96/777977096.db2.gz TYYSFFHJQAPXGV-HNNXBMFYSA-N 0 1 264.413 2.676 20 30 CFEDMN CCN1CCC[C@H](Oc2ccccc2C(=O)CC#N)C1 ZINC001233523740 777978447 /nfs/dbraw/zinc/97/84/47/777978447.db2.gz DHQKPQBUHBLDHL-ZDUSSCGKSA-N 0 1 272.348 2.646 20 30 CFEDMN N#CCC1CN(Cc2cccc(OC(F)(F)F)c2O)C1 ZINC001233728166 778055568 /nfs/dbraw/zinc/05/55/68/778055568.db2.gz UCLCFIYNXUHFGI-UHFFFAOYSA-N 0 1 286.253 2.636 20 30 CFEDMN C=C(C)CN1CC[C@@H]1CN(C)C(=O)C[C@@H](C)CC ZINC001233923416 778114091 /nfs/dbraw/zinc/11/40/91/778114091.db2.gz BMEABHFOKWNLAY-UONOGXRCSA-N 0 1 252.402 2.531 20 30 CFEDMN C[C@H](c1ccccc1)N1CC[C@H]1CN(C)C(=O)C#CC1CC1 ZINC001234195562 778184067 /nfs/dbraw/zinc/18/40/67/778184067.db2.gz LODRNOLVBFEFOT-QAPCUYQASA-N 0 1 296.414 2.694 20 30 CFEDMN CC(C)[C@H](C)Oc1[nH]c(=O)nc2ccc(C#N)cc21 ZINC001234530210 778244568 /nfs/dbraw/zinc/24/45/68/778244568.db2.gz JGBWNXRSIYYUDA-VIFPVBQESA-N 0 1 257.293 2.630 20 30 CFEDMN CC#CCN1CC[C@H](NC(=O)[C@@H]2CCCC3(CC3)C2)[C@H]1C ZINC001088565177 778264100 /nfs/dbraw/zinc/26/41/00/778264100.db2.gz GETMYVIDCXUTSJ-OAGGEKHMSA-N 0 1 288.435 2.559 20 30 CFEDMN N#C[C@H]1CN(Cc2c[nH]c(-c3ccccc3F)c2)CCC1=O ZINC001235040680 778363570 /nfs/dbraw/zinc/36/35/70/778363570.db2.gz VNADIOLFILXDFF-ZDUSSCGKSA-N 0 1 297.333 2.735 20 30 CFEDMN CC(C)N1CC(Nc2cccc3[nH]cc(CC#N)c32)C1 ZINC001168316122 778429488 /nfs/dbraw/zinc/42/94/88/778429488.db2.gz VJQRPALFDQERDC-UHFFFAOYSA-N 0 1 268.364 2.738 20 30 CFEDMN C=C[C@@](C)(CC)C(=O)N(C)C[C@@H](C)NCC(=C)Cl ZINC001277930169 778430813 /nfs/dbraw/zinc/43/08/13/778430813.db2.gz WZAYLMJMKSAMEO-OCCSQVGLSA-N 0 1 272.820 2.778 20 30 CFEDMN C=CCN1CC[C@H](NC(=O)c2c(C)oc(C)c2C)[C@H]1C ZINC001088725480 778459817 /nfs/dbraw/zinc/45/98/17/778459817.db2.gz RUIKJLGQIFJDLC-RISCZKNCSA-N 0 1 276.380 2.583 20 30 CFEDMN C=CCCC(=O)NCCCN(C)Cc1ccnc(Cl)c1 ZINC001235479561 778503724 /nfs/dbraw/zinc/50/37/24/778503724.db2.gz GCYSHBYWTONOFA-UHFFFAOYSA-N 0 1 295.814 2.639 20 30 CFEDMN C=CCCN1CC[C@@H]1CNC(=O)c1ccc(CC)s1 ZINC001038494083 778520579 /nfs/dbraw/zinc/52/05/79/778520579.db2.gz ZVQIMXZQJJMAHL-GFCCVEGCSA-N 0 1 278.421 2.691 20 30 CFEDMN C=CCN1C[C@@H]2CCN(C(=O)c3ccc(C(C)C)cn3)[C@@H]2C1 ZINC001076241719 778576911 /nfs/dbraw/zinc/57/69/11/778576911.db2.gz ZMHTVGGEDOQFKL-DOTOQJQBSA-N 0 1 299.418 2.537 20 30 CFEDMN C=C(C)C[N@H+]1C[C@@H]2CCN(C(=O)[C@H]3CCC(C)(C)C3)[C@@H]2C1 ZINC001076220617 778577466 /nfs/dbraw/zinc/57/74/66/778577466.db2.gz KHXRWLQGFHEOJB-HRCADAONSA-N 0 1 290.451 2.922 20 30 CFEDMN C#CCN1C[C@@H]2CCN(C(=O)c3cccc(C(C)C)c3)[C@@H]2C1 ZINC001076427089 778590142 /nfs/dbraw/zinc/59/01/42/778590142.db2.gz GKMWSJJFFHCPMO-ZWKOTPCHSA-N 0 1 296.414 2.590 20 30 CFEDMN C=CCN1C[C@@H]2CCN(C(=O)c3cccc(Cl)c3)[C@@H]2C1 ZINC001076489690 778592540 /nfs/dbraw/zinc/59/25/40/778592540.db2.gz BJVYCUABAFZWOF-DZGCQCFKSA-N 0 1 290.794 2.672 20 30 CFEDMN N#Cc1ccc(-c2c(F)cc(F)c(O)c2F)cn1 ZINC001235993278 778645145 /nfs/dbraw/zinc/64/51/45/778645145.db2.gz FZXQLNMFKLMZFF-UHFFFAOYSA-N 0 1 250.179 2.743 20 30 CFEDMN N#CCc1cncc(-c2c(F)cc(F)c(O)c2F)c1 ZINC001235999104 778649228 /nfs/dbraw/zinc/64/92/28/778649228.db2.gz YGFWGMPLZJACLG-UHFFFAOYSA-N 0 1 264.206 2.938 20 30 CFEDMN CCCCCC(=O)C(C#N)C(=O)Nc1ccccc1OC ZINC000129799250 778835931 /nfs/dbraw/zinc/83/59/31/778835931.db2.gz FHDRAAGTSOEDJK-LBPRGKRZSA-N 0 1 288.347 2.923 20 30 CFEDMN C=C(C)CCN1CC(NC(=O)C[C@@H]2C[C@H]2c2ccccc2)C1 ZINC001030323846 778837659 /nfs/dbraw/zinc/83/76/59/778837659.db2.gz YLVYUWSLAWPWNF-WMZOPIPTSA-N 0 1 298.430 2.947 20 30 CFEDMN C=C(C)CCN1CC(NC(=O)C[C@H]2CCC[C@H]2C)C1 ZINC001030359697 778846030 /nfs/dbraw/zinc/84/60/30/778846030.db2.gz OXDGPCOPYKKHJR-ZIAGYGMSSA-N 0 1 264.413 2.579 20 30 CFEDMN CC(C)Oc1cncc(-c2cc3[nH]cnc3c(C#N)n2)c1 ZINC001236513888 778854684 /nfs/dbraw/zinc/85/46/84/778854684.db2.gz SHYIKPQUVZEZAJ-UHFFFAOYSA-N 0 1 279.303 2.679 20 30 CFEDMN C#CC1CCN(Cc2cc(F)cc3c2OCCC3)CC1 ZINC001236628360 778898308 /nfs/dbraw/zinc/89/83/08/778898308.db2.gz XFYDZHBWIJJTNA-UHFFFAOYSA-N 0 1 273.351 2.996 20 30 CFEDMN C=CCN1CC[C@H](NC(=O)c2ccc(C(C)C)cn2)[C@H]1C ZINC001088858860 778899310 /nfs/dbraw/zinc/89/93/10/778899310.db2.gz YCCDSVHSBOALGR-HIFRSBDPSA-N 0 1 287.407 2.584 20 30 CFEDMN N#Cc1ccc(CN2CC[C@@H]3OCC[C@H]3C2)cc1Cl ZINC001232116562 778900119 /nfs/dbraw/zinc/90/01/19/778900119.db2.gz NKFLPKGBSBWINO-ZFWWWQNUSA-N 0 1 276.767 2.822 20 30 CFEDMN CC#CCN1CC[C@H](NC(=O)[C@@H](C)c2cccc(C)c2)[C@H]1C ZINC001088889025 778939410 /nfs/dbraw/zinc/93/94/10/778939410.db2.gz UJGNZFRZFWZBCE-JZXOWHBKSA-N 0 1 298.430 2.701 20 30 CFEDMN Cc1cc(Nc2cc(C#N)c(F)cc2O)cnc1F ZINC001212190808 778946164 /nfs/dbraw/zinc/94/61/64/778946164.db2.gz NOTXRJOQUMLZJM-UHFFFAOYSA-N 0 1 261.231 2.989 20 30 CFEDMN C[C@@]1(F)CC[N@@H+](Cc2cc(C#N)ccc2[O-])C[C@@H]1F ZINC001232673775 778961941 /nfs/dbraw/zinc/96/19/41/778961941.db2.gz NAMYITXJQCNLIG-UONOGXRCSA-N 0 1 266.291 2.536 20 30 CFEDMN C=CCN1CC[C@H](NC(=O)c2ccc(Cl)cc2)[C@H]1C ZINC001088996191 778970342 /nfs/dbraw/zinc/97/03/42/778970342.db2.gz GVFZJQRGWHAZBS-RISCZKNCSA-N 0 1 278.783 2.719 20 30 CFEDMN C=CCN1CC[C@H](NC(=O)c2cc3nc(C)ccc3o2)[C@H]1C ZINC001088994750 778970432 /nfs/dbraw/zinc/97/04/32/778970432.db2.gz FOBOCIJJRNMNLA-OLZOCXBDSA-N 0 1 299.374 2.515 20 30 CFEDMN CC#CCN1CC[C@H](NC(=O)c2cccc(Cl)c2)[C@H]1C ZINC001088999309 778971085 /nfs/dbraw/zinc/97/10/85/778971085.db2.gz RJRCHLYKBCEUIF-DOMZBBRYSA-N 0 1 290.794 2.556 20 30 CFEDMN CC#CCN1CC[C@H](NC(=O)[C@@H]2CCCC(C)(C)C2)[C@H]1C ZINC001089066134 778986415 /nfs/dbraw/zinc/98/64/15/778986415.db2.gz SDKFPOZTEQQNPG-OAGGEKHMSA-N 0 1 290.451 2.805 20 30 CFEDMN C#CCN1CC[C@H](NC(=O)C[C@H]2CCCCC2(C)C)[C@H]1C ZINC001089083641 778990763 /nfs/dbraw/zinc/99/07/63/778990763.db2.gz BTTIFSCVMLTHHL-OAGGEKHMSA-N 0 1 290.451 2.805 20 30 CFEDMN C#Cc1ccc(C(=O)NC2CN(CC3CCCCC3)C2)cc1 ZINC001030775577 779019309 /nfs/dbraw/zinc/01/93/09/779019309.db2.gz RJONVPYUFSRSMQ-UHFFFAOYSA-N 0 1 296.414 2.662 20 30 CFEDMN C#CCCCCC(=O)N(C)C[C@@H]1CCN1CC=C(C)C ZINC001233760250 779084250 /nfs/dbraw/zinc/08/42/50/779084250.db2.gz AIIQKEKPNPVVIQ-INIZCTEOSA-N 0 1 276.424 2.679 20 30 CFEDMN C=C1CCC(C(=O)NC2CN(CC3CCCC3)C2)CC1 ZINC001030899387 779086775 /nfs/dbraw/zinc/08/67/75/779086775.db2.gz BTKCBCSFOBHGBW-UHFFFAOYSA-N 0 1 276.424 2.723 20 30 CFEDMN N#Cc1ccc(O)c(NC(=O)Cc2ccsc2)c1 ZINC000176399328 779123650 /nfs/dbraw/zinc/12/36/50/779123650.db2.gz SYSSSWABTPOXDY-UHFFFAOYSA-N 0 1 258.302 2.507 20 30 CFEDMN CCC#C[C@@H](C)Oc1nc2cccc(C(=O)OC)c2[nH]1 ZINC001234044496 779126649 /nfs/dbraw/zinc/12/66/49/779126649.db2.gz LTOOVQXBNMQHIH-SNVBAGLBSA-N 0 1 272.304 2.530 20 30 CFEDMN C=CCOCC[N@@H+]1CC[C@H]1CN(C)C(=O)[C@@H](C)CCCC ZINC001234051778 779128455 /nfs/dbraw/zinc/12/84/55/779128455.db2.gz WCAMVPHLOVTAKW-HOTGVXAUSA-N 0 1 296.455 2.548 20 30 CFEDMN C=CCOCCN1CC[C@H]1CN(C)C(=O)[C@@H](C)CCCC ZINC001234051778 779128457 /nfs/dbraw/zinc/12/84/57/779128457.db2.gz WCAMVPHLOVTAKW-HOTGVXAUSA-N 0 1 296.455 2.548 20 30 CFEDMN C=CCCCN1CC[C@@H]1CN(C)C(=O)c1sccc1F ZINC001234060066 779129393 /nfs/dbraw/zinc/12/93/93/779129393.db2.gz QCMPUCIZJMSHIQ-GFCCVEGCSA-N 0 1 296.411 3.000 20 30 CFEDMN C[C@@]1(C#N)CCN([C@@H]2CCc3cc(F)ccc3C2)C1 ZINC001168444166 779135797 /nfs/dbraw/zinc/13/57/97/779135797.db2.gz FYOCAAUVWIZKSR-CVEARBPZSA-N 0 1 258.340 2.919 20 30 CFEDMN C[C@@]1(F)CCCN(Cc2cn3cc(C#N)ccc3n2)CC1 ZINC001237608427 779141595 /nfs/dbraw/zinc/14/15/95/779141595.db2.gz GKXRRJBFLJFBKW-MRXNPFEDSA-N 0 1 286.354 2.920 20 30 CFEDMN C[C@@H]1CC[C@@H](CO)CN1Cc1cc(Cl)cc(C#N)c1 ZINC001237746402 779173711 /nfs/dbraw/zinc/17/37/11/779173711.db2.gz MHRDZHXJNDVAIE-VXGBXAGGSA-N 0 1 278.783 2.804 20 30 CFEDMN C=CCCCC(=O)C(C#N)C(=O)NC1CCCCC1 ZINC000176529598 779217909 /nfs/dbraw/zinc/21/79/09/779217909.db2.gz VFGHNPDFVJCINB-CYBMUJFWSA-N 0 1 262.353 2.500 20 30 CFEDMN N#CCC1CN(Cc2n[nH]c3cc(Cl)ccc32)C1 ZINC001237992757 779224074 /nfs/dbraw/zinc/22/40/74/779224074.db2.gz KEEIMNQVNLSBKT-UHFFFAOYSA-N 0 1 260.728 2.562 20 30 CFEDMN C[C@]1(C#N)CCN(Cc2n[nH]c3cc(Cl)ccc23)C1 ZINC001237997608 779225858 /nfs/dbraw/zinc/22/58/58/779225858.db2.gz DIZVIXBRTHIPNE-CQSZACIVSA-N 0 1 274.755 2.952 20 30 CFEDMN N#Cc1ccc(CN2CCC3(COC3)CC2)c(Cl)c1 ZINC001238079582 779248174 /nfs/dbraw/zinc/24/81/74/779248174.db2.gz DMLATOXYGUBSQA-UHFFFAOYSA-N 0 1 276.767 2.824 20 30 CFEDMN N#Cc1ccc(CN2CCC[C@@](F)(CO)CC2)c(Cl)c1 ZINC001238084076 779249952 /nfs/dbraw/zinc/24/99/52/779249952.db2.gz YYSOGWKEXICQSJ-HNNXBMFYSA-N 0 1 296.773 2.898 20 30 CFEDMN C=C(C)C[N@H+]1CC[C@@](C)(NC(=O)c2cc(C)cc(F)c2)C1 ZINC001046646344 779256565 /nfs/dbraw/zinc/25/65/65/779256565.db2.gz BUVJXVZBQDOPFR-QGZVFWFLSA-N 0 1 290.382 2.904 20 30 CFEDMN C#C[C@@H]1CCC[N@H+](Cc2ccc(C(=O)[O-])cc2C)C1 ZINC001238148395 779261829 /nfs/dbraw/zinc/26/18/29/779261829.db2.gz DEOKMRBUHDCZSY-CYBMUJFWSA-N 0 1 257.333 2.538 20 30 CFEDMN C[C@@]1(O)CCCCN(Cc2ccc(Cl)c(C#N)c2)C1 ZINC001238188662 779273950 /nfs/dbraw/zinc/27/39/50/779273950.db2.gz GTWVLWBSXIXABK-OAHLLOKOSA-N 0 1 278.783 2.949 20 30 CFEDMN N#CC1CCN(Cc2cccc(-c3cc[nH]n3)c2)CC1 ZINC001238197942 779279383 /nfs/dbraw/zinc/27/93/83/779279383.db2.gz WHFBKJSHHIUBFV-UHFFFAOYSA-N 0 1 266.348 2.812 20 30 CFEDMN COc1cc(CN2CC[C@@H]3CCCO[C@H]3C2)ccc1C#N ZINC001238410583 779307622 /nfs/dbraw/zinc/30/76/22/779307622.db2.gz RWCQDCHOLTUWJL-YOEHRIQHSA-N 0 1 286.375 2.568 20 30 CFEDMN C#C[C@H]1CCCN(Cc2cc(C)cnc2SC)C1 ZINC001238718893 779376150 /nfs/dbraw/zinc/37/61/50/779376150.db2.gz VJUWRIAPDILTQU-ZDUSSCGKSA-N 0 1 260.406 2.957 20 30 CFEDMN C=C(C)c1ccc(-c2ccnc(N3CCN(C)CC3)c2)nc1 ZINC001238819839 779398823 /nfs/dbraw/zinc/39/88/23/779398823.db2.gz SKUOHEYEXGQHIE-UHFFFAOYSA-N 0 1 294.402 2.929 20 30 CFEDMN CN1CCN(c2cc(-c3cccc(CS)c3)ccn2)CC1 ZINC001238825706 779400033 /nfs/dbraw/zinc/40/00/33/779400033.db2.gz LWXOYPXXNQUZAO-UHFFFAOYSA-N 0 1 299.443 2.930 20 30 CFEDMN C=C(C)c1cncc(-c2ccnc(N3CCN(C)CC3)c2)c1 ZINC001238823264 779400307 /nfs/dbraw/zinc/40/03/07/779400307.db2.gz YGINADKYQGXODP-UHFFFAOYSA-N 0 1 294.402 2.929 20 30 CFEDMN C=C1CC(C)(C(=O)N[C@H]2CCN(CCF)CC(C)(C)C2)C1 ZINC001089484699 779493776 /nfs/dbraw/zinc/49/37/76/779493776.db2.gz AHCLOOQBQAMMNG-AWEZNQCLSA-N 0 1 296.430 2.919 20 30 CFEDMN C=C(C)CN1CC(CNC(=O)c2csc(C)c2C)C1 ZINC001031694569 779530713 /nfs/dbraw/zinc/53/07/13/779530713.db2.gz DKSQTSPSIJJGHI-UHFFFAOYSA-N 0 1 278.421 2.603 20 30 CFEDMN C=CCN1CC(C)(C)CC[C@@H]1CNC(=O)c1ccco1 ZINC001089595206 779536527 /nfs/dbraw/zinc/53/65/27/779536527.db2.gz GSEQVIAMWAQDCS-CYBMUJFWSA-N 0 1 276.380 2.686 20 30 CFEDMN N#CC1(c2ccc(-n3[nH]c(=O)c4ccc(N)cc43)cc2)CC1 ZINC001212260085 779542466 /nfs/dbraw/zinc/54/24/66/779542466.db2.gz KHDYVRKZTHGOFK-UHFFFAOYSA-N 0 1 290.326 2.868 20 30 CFEDMN C=CCN1CC(CNC(=O)c2ccc(CC(C)C)s2)C1 ZINC001031735392 779557879 /nfs/dbraw/zinc/55/78/79/779557879.db2.gz HLQBCRUWPKGQAD-UHFFFAOYSA-N 0 1 292.448 2.794 20 30 CFEDMN CCCCCCCNC(=S)N1CCNC[C@H]1C(C)C ZINC001239433871 779564921 /nfs/dbraw/zinc/56/49/21/779564921.db2.gz JLQLITCOGZKPEA-AWEZNQCLSA-N 0 1 285.501 2.761 20 30 CFEDMN C=CCN1CC(CNC(=O)[C@@H]2CCC[C@H]2c2ccccc2)C1 ZINC001031836828 779637393 /nfs/dbraw/zinc/63/73/93/779637393.db2.gz RGFVVBIHUZNBJK-ZWKOTPCHSA-N 0 1 298.430 2.804 20 30 CFEDMN N#Cc1nc(-c2ccc(F)c(F)c2)cc2[nH]cnc21 ZINC001239580865 779641753 /nfs/dbraw/zinc/64/17/53/779641753.db2.gz GAPXJFXBKGDVPH-UHFFFAOYSA-N 0 1 256.215 2.775 20 30 CFEDMN COc1ccc(OC)c(-c2cc3[nH]cnc3c(C#N)n2)c1 ZINC001239663736 779693760 /nfs/dbraw/zinc/69/37/60/779693760.db2.gz RXKPCDUPMPTBJG-UHFFFAOYSA-N 0 1 280.287 2.514 20 30 CFEDMN C=C(C)CN1CC(CNC(=O)c2ccc3c(c2)C=CCC3)C1 ZINC001032048341 779721797 /nfs/dbraw/zinc/72/17/97/779721797.db2.gz PNRTUOFMLXNVGI-UHFFFAOYSA-N 0 1 296.414 2.884 20 30 CFEDMN C=CCN1CC(CNC(=O)c2cc3cc(C)c(C)cc3o2)C1 ZINC001032134255 779745484 /nfs/dbraw/zinc/74/54/84/779745484.db2.gz QQPDIYAHROGJOH-UHFFFAOYSA-N 0 1 298.386 2.897 20 30 CFEDMN C=CCN1CC(CNC(=O)c2cc3ccccc3n2CC)C1 ZINC001032203167 779762893 /nfs/dbraw/zinc/76/28/93/779762893.db2.gz YTJGJARIVUQAHZ-UHFFFAOYSA-N 0 1 297.402 2.509 20 30 CFEDMN C=CCN1CC(CNC(=O)c2cc3cc(C)ccc3o2)C1 ZINC001032207718 779764634 /nfs/dbraw/zinc/76/46/34/779764634.db2.gz XVIYAMRPXISPIW-UHFFFAOYSA-N 0 1 284.359 2.589 20 30 CFEDMN C=CCCC(=O)N[C@]12CCC[C@H]1CN(Cc1cccnc1)C2 ZINC001111648761 779835250 /nfs/dbraw/zinc/83/52/50/779835250.db2.gz MZMOPCFZIYGFFT-WMZOPIPTSA-N 0 1 299.418 2.519 20 30 CFEDMN C=CCC[C@@H](C)[N@H+]1CCO[C@](C)(CNC(=O)C=C(C)C)C1 ZINC001107709644 779884988 /nfs/dbraw/zinc/88/49/88/779884988.db2.gz GSPARIZDQMWZIX-NVXWUHKLSA-N 0 1 294.439 2.514 20 30 CFEDMN C=CCC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)C(C)(C)C(C)C ZINC001032421949 779949464 /nfs/dbraw/zinc/94/94/64/779949464.db2.gz WYILGQKNAXSUPM-KBPBESRZSA-N 0 1 264.413 2.530 20 30 CFEDMN C=CCCN1C[C@@H]2C[C@H]1CN2C(=O)C(C)(C)C(C)C ZINC001032421949 779949467 /nfs/dbraw/zinc/94/94/67/779949467.db2.gz WYILGQKNAXSUPM-KBPBESRZSA-N 0 1 264.413 2.530 20 30 CFEDMN C=C(C)C(C)(C)C(=O)N1C[C@@H]2C[C@H]1CN2CC[C@@H](C)F ZINC001032557252 780030402 /nfs/dbraw/zinc/03/04/02/780030402.db2.gz DQOHRRIJBQMFII-RDBSUJKOSA-N 0 1 282.403 2.622 20 30 CFEDMN C=CCC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@@H]1CCC(C)(C)C1 ZINC001032612930 780072550 /nfs/dbraw/zinc/07/25/50/780072550.db2.gz HIQJHWOQROKYRR-ILXRZTDVSA-N 0 1 276.424 2.674 20 30 CFEDMN C=C(C)CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@@H]1C[C@H]1CCC ZINC001032612959 780072574 /nfs/dbraw/zinc/07/25/74/780072574.db2.gz IIPMPZSWBLLERZ-FXUDXRNXSA-N 0 1 276.424 2.674 20 30 CFEDMN C=CCC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1ccc2cc[nH]c2c1 ZINC001032650206 780115932 /nfs/dbraw/zinc/11/59/32/780115932.db2.gz DXXGMBSMIBQWKQ-HOTGVXAUSA-N 0 1 295.386 2.643 20 30 CFEDMN C=CCCN1C[C@@H]2C[C@H]1CN2C(=O)c1ccc2cc[nH]c2c1 ZINC001032650206 780115935 /nfs/dbraw/zinc/11/59/35/780115935.db2.gz DXXGMBSMIBQWKQ-HOTGVXAUSA-N 0 1 295.386 2.643 20 30 CFEDMN C=CCCONC(=O)Cc1coc(-c2cccs2)n1 ZINC001168627515 780120074 /nfs/dbraw/zinc/12/00/74/780120074.db2.gz QRYOQUHVVGOYNB-UHFFFAOYSA-N 0 1 278.333 2.570 20 30 CFEDMN C=CCCN1C[C@@H]2C[C@H]1CN2C(=O)c1csc(C)c1 ZINC001032683404 780126950 /nfs/dbraw/zinc/12/69/50/780126950.db2.gz BFLXMUQCLWIECU-KBPBESRZSA-N 0 1 276.405 2.531 20 30 CFEDMN C=C[C@@H](COC)NCc1ccc(SC)c(OC)c1 ZINC001116640285 780205424 /nfs/dbraw/zinc/20/54/24/780205424.db2.gz MQGMPUAAZMEXQS-LBPRGKRZSA-N 0 1 267.394 2.708 20 30 CFEDMN C=C(C)CN1C[C@]2(CC1=O)CCCCN2Cc1ccc[nH]1 ZINC001272928966 780286899 /nfs/dbraw/zinc/28/68/99/780286899.db2.gz IXUAIWMODRDPIV-QGZVFWFLSA-N 0 1 287.407 2.548 20 30 CFEDMN C=C(C)CN1CC[C@@]2(CCCN2Cc2cccs2)C1=O ZINC001272931553 780298242 /nfs/dbraw/zinc/29/82/42/780298242.db2.gz CZIUERVSBYDNEU-INIZCTEOSA-N 0 1 290.432 2.891 20 30 CFEDMN CCO[C@@H](C)n1cc(-c2nccc3[nH]cc(C#N)c32)cn1 ZINC001240753856 780417042 /nfs/dbraw/zinc/41/70/42/780417042.db2.gz VJOCOBIXCUVVIW-JTQLQIEISA-N 0 1 281.319 2.853 20 30 CFEDMN N#Cc1nc(-c2ccc3cc[nH]c3c2)cc2[nH]cnc21 ZINC001240795566 780449493 /nfs/dbraw/zinc/44/94/93/780449493.db2.gz ARODZJDKGQEQCH-UHFFFAOYSA-N 0 1 259.272 2.978 20 30 CFEDMN CN1CCN(c2ccc(-c3cnccc3CC#N)cc2)CC1 ZINC001240854521 780479925 /nfs/dbraw/zinc/47/99/25/780479925.db2.gz KQYJNUOPGONPRL-UHFFFAOYSA-N 0 1 292.386 2.566 20 30 CFEDMN C=C(C)CN1CC[C@H](N(C)C(=O)C(F)=C2CCCC2)C1 ZINC001033005270 780528241 /nfs/dbraw/zinc/52/82/41/780528241.db2.gz QJDYSDDRANKWTQ-AWEZNQCLSA-N 0 1 280.387 2.893 20 30 CFEDMN C=C(C)CN1CC(C)(C)CC[C@@H]1CNC(=O)C(C)(F)F ZINC001098850331 780557090 /nfs/dbraw/zinc/55/70/90/780557090.db2.gz UQKHTPSKPBVAQY-GFCCVEGCSA-N 0 1 288.382 2.825 20 30 CFEDMN C=CCN1CC[C@@H](N(C)C(=O)c2cccc(Cl)c2C)C1 ZINC001033096841 780558726 /nfs/dbraw/zinc/55/87/26/780558726.db2.gz OLPNTWXSSAENIQ-CYBMUJFWSA-N 0 1 292.810 2.981 20 30 CFEDMN C=CCN1CC[C@@H](N(C)C(=O)c2cccc3c2CCCC3)C1 ZINC001033105961 780565382 /nfs/dbraw/zinc/56/53/82/780565382.db2.gz KBBVGHRMZHHCMN-MRXNPFEDSA-N 0 1 298.430 2.898 20 30 CFEDMN CC(C)(C)N1CC[C@@H]1CNc1nc(Cl)c(C#N)s1 ZINC000690314702 780567273 /nfs/dbraw/zinc/56/72/73/780567273.db2.gz MTGINKFMWTYVNX-MRVPVSSYSA-N 0 1 284.816 2.953 20 30 CFEDMN CC#CC[N@H+]1CC[C@H](N(C)C(=O)c2ccccc2C(C)C)C1 ZINC001033132321 780577774 /nfs/dbraw/zinc/57/77/74/780577774.db2.gz SJKFERIETYOEAN-INIZCTEOSA-N 0 1 298.430 2.980 20 30 CFEDMN CC#CCN1CC[C@H](N(C)C(=O)c2ccccc2C(C)C)C1 ZINC001033132321 780577780 /nfs/dbraw/zinc/57/77/80/780577780.db2.gz SJKFERIETYOEAN-INIZCTEOSA-N 0 1 298.430 2.980 20 30 CFEDMN CCOC(=O)c1cnc(-c2ccccc2O)c(C#N)c1 ZINC001241009411 780590387 /nfs/dbraw/zinc/59/03/87/780590387.db2.gz YXAPZZSDLKYPMK-UHFFFAOYSA-N 0 1 268.272 2.503 20 30 CFEDMN C=CCN1CC[C@H](N(C)C(=O)[C@H]2CCCc3ccccc32)C1 ZINC001033186052 780609043 /nfs/dbraw/zinc/60/90/43/780609043.db2.gz RTHONDSAXHCFLL-WMZOPIPTSA-N 0 1 298.430 2.825 20 30 CFEDMN C=CCN1CC[C@@H](N(C)C(=O)c2cccc(C(C)C)n2)C1 ZINC001033233929 780626362 /nfs/dbraw/zinc/62/63/62/780626362.db2.gz VSYMUDVRKALVAT-CQSZACIVSA-N 0 1 287.407 2.537 20 30 CFEDMN C=CCN1CC[C@H](N(C)C(=O)[C@@H]2C[C@]2(C)c2ccccc2)C1 ZINC001033282091 780640664 /nfs/dbraw/zinc/64/06/64/780640664.db2.gz DHYUQKLQFCYYPQ-JENIJYKNSA-N 0 1 298.430 2.683 20 30 CFEDMN CCOc1cccc(-c2cc3[nH]cnc3c(C#N)n2)c1 ZINC001241113252 780643313 /nfs/dbraw/zinc/64/33/13/780643313.db2.gz IYFFPNFJONQHEM-UHFFFAOYSA-N 0 1 264.288 2.895 20 30 CFEDMN C=C(C)CN1CC[C@H](N(C)C(=O)c2nc(Cl)cs2)C1 ZINC001033369892 780667973 /nfs/dbraw/zinc/66/79/73/780667973.db2.gz OKRKVRKFFMFLIF-JTQLQIEISA-N 0 1 299.827 2.519 20 30 CFEDMN C=CCN1CC[C@@H](N(C)C(=O)c2ccc(F)c(Cl)c2)C1 ZINC001033385185 780672852 /nfs/dbraw/zinc/67/28/52/780672852.db2.gz UXDXMRXNLVYVNL-GFCCVEGCSA-N 0 1 296.773 2.811 20 30 CFEDMN C=CCN1CC[C@@H](N(C)C(=O)[C@@H](C)c2ccsc2)C1 ZINC001033410870 780677015 /nfs/dbraw/zinc/67/70/15/780677015.db2.gz UMHIRZQEUBTTSG-GXTWGEPZSA-N 0 1 278.421 2.570 20 30 CFEDMN N#Cc1nc(-c2c(F)cc(F)cc2F)cc2nc[nH]c21 ZINC001241168422 780679094 /nfs/dbraw/zinc/67/90/94/780679094.db2.gz OUBTWJIUBGYAKQ-UHFFFAOYSA-N 0 1 274.205 2.914 20 30 CFEDMN C=C(C)C[N@@H+]1CC[C@@H](N(C)C(=O)c2cccc3[nH]ccc32)C1 ZINC001033441273 780682125 /nfs/dbraw/zinc/68/21/25/780682125.db2.gz WRECKBBXXAMZKI-CQSZACIVSA-N 0 1 297.402 2.890 20 30 CFEDMN C=CCN1CC[C@@H](N(C)C(=O)c2csc(Cl)c2)C1 ZINC001033470869 780690666 /nfs/dbraw/zinc/69/06/66/780690666.db2.gz FGFZMHGGUGMUAH-LLVKDONJSA-N 0 1 284.812 2.734 20 30 CFEDMN CCOC(=O)c1nc2ccc(-c3ccnc(C#N)c3)cc2[nH]1 ZINC001241201545 780702108 /nfs/dbraw/zinc/70/21/08/780702108.db2.gz VSVXUKXQGDXDGB-UHFFFAOYSA-N 0 1 292.298 2.673 20 30 CFEDMN C=CC[N@@H+]1CC[C@@H](N(C)C(=O)C[C@@H]2CCc3ccccc32)C1 ZINC001033519832 780702407 /nfs/dbraw/zinc/70/24/07/780702407.db2.gz WYSFIVIGYDMYID-DLBZAZTESA-N 0 1 298.430 2.825 20 30 CFEDMN C=CCN1CC[C@@H](N(C)C(=O)c2cc3c(C)cccn3c2)C1 ZINC001033583389 780716708 /nfs/dbraw/zinc/71/67/08/780716708.db2.gz NRBIOYOGZSYNJD-MRXNPFEDSA-N 0 1 297.402 2.580 20 30 CFEDMN CC#CCN1CC[C@H](N(C)C(=O)c2ccccc2Cl)C1 ZINC001033604133 780727079 /nfs/dbraw/zinc/72/70/79/780727079.db2.gz BJFBDPMBMSSQCK-ZDUSSCGKSA-N 0 1 290.794 2.510 20 30 CFEDMN C=CCN1CC[C@@H](N(C)C(=O)c2cc(C)ccc2C)C1 ZINC001033620086 780731795 /nfs/dbraw/zinc/73/17/95/780731795.db2.gz FSWPFPNLWXMZRF-OAHLLOKOSA-N 0 1 272.392 2.636 20 30 CFEDMN C=CCN1CC[C@H](N(C)C(=O)[C@@H](C)c2cccc(F)c2)C1 ZINC001033679188 780746842 /nfs/dbraw/zinc/74/68/42/780746842.db2.gz JWLBOEBUGBSBTE-BBRMVZONSA-N 0 1 290.382 2.648 20 30 CFEDMN C=CCN1CC[C@@H](N(C)C(=O)C23CCC(CC2)CC3)C1 ZINC001033675576 780746921 /nfs/dbraw/zinc/74/69/21/780746921.db2.gz JKQUIQSGJJJBKC-ISXOHVOVSA-N 0 1 276.424 2.676 20 30 CFEDMN C=CCN1CC[C@@H](N(C)C(=O)c2sccc2CC)C1 ZINC001033682903 780748521 /nfs/dbraw/zinc/74/85/21/780748521.db2.gz DHAKZLKOPXLLTJ-CYBMUJFWSA-N 0 1 278.421 2.643 20 30 CFEDMN C=CCN1CC[C@@H](N(C)C(=O)[C@]2(C)CCc3ccccc32)C1 ZINC001033699075 780754664 /nfs/dbraw/zinc/75/46/64/780754664.db2.gz JZJSHGMKGBOHSI-VQIMIIECSA-N 0 1 298.430 2.609 20 30 CFEDMN C#CCCN1CC[C@H](N(CC)C(=O)c2sccc2C)C1 ZINC001033732507 780767535 /nfs/dbraw/zinc/76/75/35/780767535.db2.gz KAZNPWZASMKLEY-AWEZNQCLSA-N 0 1 290.432 2.616 20 30 CFEDMN CC#CCN1CC[C@H](N(CC)C(=O)c2ccccc2C)C1 ZINC001033734493 780769682 /nfs/dbraw/zinc/76/96/82/780769682.db2.gz QPLCGVOTJDPNLY-INIZCTEOSA-N 0 1 284.403 2.555 20 30 CFEDMN CN1CC=C(c2nc(-c3ccncc3)ccc2C#N)CC1 ZINC001241313204 780774047 /nfs/dbraw/zinc/77/40/47/780774047.db2.gz VULJTHANILBPJJ-UHFFFAOYSA-N 0 1 276.343 2.734 20 30 CFEDMN C=C(C)CC[N@@H+]1CC[C@@H](N(CC)C(=O)c2cncs2)C1 ZINC001033764097 780777208 /nfs/dbraw/zinc/77/72/08/780777208.db2.gz XJBBHAUMYHSPHU-CYBMUJFWSA-N 0 1 293.436 2.646 20 30 CFEDMN C=CCN1CC[C@H](N(CC)C(=O)[C@@H]2C[C@@H]3C=C[C@H]2CC3)C1 ZINC001033838470 780803439 /nfs/dbraw/zinc/80/34/39/780803439.db2.gz NSOABEIFKZZVPM-LTIDMASMSA-N 0 1 288.435 2.698 20 30 CFEDMN C=C(C)CN1CC[C@H](N(CC)C(=O)c2ccc(CC)o2)C1 ZINC001033876168 780812560 /nfs/dbraw/zinc/81/25/60/780812560.db2.gz PKAYBNDMPFIECM-AWEZNQCLSA-N 0 1 290.407 2.955 20 30 CFEDMN CC#CCN1CC[C@H](N(CC)C(=O)[C@@H]2CCCC23CC3)C1 ZINC001033874375 780814755 /nfs/dbraw/zinc/81/47/55/780814755.db2.gz XHJCNPYZFZHSDU-HOTGVXAUSA-N 0 1 288.435 2.513 20 30 CFEDMN C#CCN1CC[C@@H](N(CC)C(=O)[C@@H]2CCC=CCCC2)C1 ZINC001033874024 780816156 /nfs/dbraw/zinc/81/61/56/780816156.db2.gz UIHKGEZVQAPGBM-IAGOWNOFSA-N 0 1 288.435 2.679 20 30 CFEDMN C=CCN1CC[C@H](N(CC)C(=O)[C@H]2CCC2(C)C)C1 ZINC001033927375 780826877 /nfs/dbraw/zinc/82/68/77/780826877.db2.gz OLYAMGNAHMTKEQ-UONOGXRCSA-N 0 1 264.413 2.531 20 30 CFEDMN C=C(C)C[N@@H+]1CC[C@@H](N(CC)C(=O)[C@@H]2CC23CCC3)C1 ZINC001033971693 780843804 /nfs/dbraw/zinc/84/38/04/780843804.db2.gz KFWKMMRDJZZMHR-CABCVRRESA-N 0 1 276.424 2.676 20 30 CFEDMN C=CCN1CC[C@@H](N(CC)C(=O)c2cc3ccccn3c2)C1 ZINC001033976791 780845977 /nfs/dbraw/zinc/84/59/77/780845977.db2.gz MGVQMDFZOMEMDN-QGZVFWFLSA-N 0 1 297.402 2.662 20 30 CFEDMN C=CCN1CC[C@@H](N(CC)C(=O)c2csc(C)c2)C1 ZINC001033989042 780848484 /nfs/dbraw/zinc/84/84/84/780848484.db2.gz JULIQDYGDOICNJ-CQSZACIVSA-N 0 1 278.421 2.779 20 30 CFEDMN COc1cc(C#N)ccc1-c1cc2[nH]nnc2cc1F ZINC001241403905 780853690 /nfs/dbraw/zinc/85/36/90/780853690.db2.gz DAYHZWTVIUKRPS-UHFFFAOYSA-N 0 1 268.251 2.644 20 30 CFEDMN C=C(C)C[N@@H+]1CC[C@@H](N(CC)C(=O)c2ccc(F)s2)C1 ZINC001034054793 780864709 /nfs/dbraw/zinc/86/47/09/780864709.db2.gz MJULCSPNXQEWFO-GFCCVEGCSA-N 0 1 296.411 3.000 20 30 CFEDMN C=C(C)CN1CC[C@@H](N(CC)C(=O)c2ccc(F)s2)C1 ZINC001034054793 780864714 /nfs/dbraw/zinc/86/47/14/780864714.db2.gz MJULCSPNXQEWFO-GFCCVEGCSA-N 0 1 296.411 3.000 20 30 CFEDMN C#CC[N@@H+]1CC[C@H](N(CC)C(=O)c2ccc(C(C)C)cc2)C1 ZINC001034025328 780865148 /nfs/dbraw/zinc/86/51/48/780865148.db2.gz NKWJHQKKHPPUPE-SFHVURJKSA-N 0 1 298.430 2.980 20 30 CFEDMN C#CCN1CC[C@H](N(CC)C(=O)c2ccc(C(C)C)cc2)C1 ZINC001034025328 780865156 /nfs/dbraw/zinc/86/51/56/780865156.db2.gz NKWJHQKKHPPUPE-SFHVURJKSA-N 0 1 298.430 2.980 20 30 CFEDMN C=CCN1CC[C@@H](N(CC)C(=O)[C@H]2CC3CCC2CC3)C1 ZINC001034047945 780866379 /nfs/dbraw/zinc/86/63/79/780866379.db2.gz UCUMNXHHKCISMZ-BACDZXNISA-N 0 1 290.451 2.922 20 30 CFEDMN C=CCN1CC[C@@H](N(CC)C(=O)[C@@H]2CC3CCC2CC3)C1 ZINC001034047946 780867095 /nfs/dbraw/zinc/86/70/95/780867095.db2.gz UCUMNXHHKCISMZ-BHUNQDJPSA-N 0 1 290.451 2.922 20 30 CFEDMN C=CCN1CC[C@H](N(CC)C(=O)[C@H]2CC3CCC2CC3)C1 ZINC001034047947 780867108 /nfs/dbraw/zinc/86/71/08/780867108.db2.gz UCUMNXHHKCISMZ-GQGLESIBSA-N 0 1 290.451 2.922 20 30 CFEDMN C=CCN1CCCC[C@H](NC(=O)c2ccoc2CC)C1 ZINC001034188805 780918968 /nfs/dbraw/zinc/91/89/68/780918968.db2.gz QEANSRWUDINUNN-ZDUSSCGKSA-N 0 1 276.380 2.612 20 30 CFEDMN CC#CCN1CCCC[C@H](NC(=O)[C@]2(C)CC=CCC2)C1 ZINC001034226424 780926581 /nfs/dbraw/zinc/92/65/81/780926581.db2.gz QWFPLLOPJOBHRJ-FUHWJXTLSA-N 0 1 288.435 2.727 20 30 CFEDMN C#CCN1CCCC[C@H](NC(=O)C2CCCCCCC2)C1 ZINC001034304635 780945710 /nfs/dbraw/zinc/94/57/10/780945710.db2.gz WEVWJDWQKHPBIY-KRWDZBQOSA-N 0 1 290.451 2.951 20 30 CFEDMN CC#CCN1CCCC[C@H](NC(=O)Cc2cccc(C)c2)C1 ZINC001034374702 780956673 /nfs/dbraw/zinc/95/66/73/780956673.db2.gz DOVVMSMFOBUZRU-SFHVURJKSA-N 0 1 298.430 2.532 20 30 CFEDMN C#CCN1CCCC[C@@H](NC(=O)c2ccc(C=C)cc2)C1 ZINC001034420576 780972685 /nfs/dbraw/zinc/97/26/85/780972685.db2.gz WEBQQDOVGKZCRN-QGZVFWFLSA-N 0 1 282.387 2.547 20 30 CFEDMN CN1CCC=C(c2ccc(C#N)c(C(F)(F)F)n2)C1 ZINC001241565676 780981161 /nfs/dbraw/zinc/98/11/61/780981161.db2.gz NSFRNQSPYYWNSS-UHFFFAOYSA-N 0 1 267.254 2.691 20 30 CFEDMN CC#CCN1CCCC[C@@H](NC(=O)[C@H]2CC[C@H](C)CC2)C1 ZINC001034498747 780984470 /nfs/dbraw/zinc/98/44/70/780984470.db2.gz NZHNLBYFXMWRGB-BRWVUGGUSA-N 0 1 290.451 2.807 20 30 CFEDMN C#CCN1CCCC[C@@H](NC(=O)[C@H](C)c2ccc(C)cc2)C1 ZINC001034501187 780987262 /nfs/dbraw/zinc/98/72/62/780987262.db2.gz KZTUAVVMCHAXGT-SJLPKXTDSA-N 0 1 298.430 2.702 20 30 CFEDMN CC#CCN1CCCC[C@H](NC(=O)c2cc(C)ccc2C)C1 ZINC001034508162 780988106 /nfs/dbraw/zinc/98/81/06/780988106.db2.gz UANAOKAOYXWBKR-KRWDZBQOSA-N 0 1 298.430 2.911 20 30 CFEDMN C#CCN1CCCC[C@H](NC(=O)c2cccc(C)c2C)C1 ZINC001034514734 780989700 /nfs/dbraw/zinc/98/97/00/780989700.db2.gz KDBGEYMDKIUDDG-INIZCTEOSA-N 0 1 284.403 2.521 20 30 CFEDMN CC#CCN1CCCC[C@@H](NC(=O)C2CCC=CCC2)C1 ZINC001034530205 780991063 /nfs/dbraw/zinc/99/10/63/780991063.db2.gz AZOWRODALAAROQ-QGZVFWFLSA-N 0 1 288.435 2.727 20 30 CFEDMN C#CCN1CCCC[C@@H](NC(=O)C(C)(C)c2ccccc2)C1 ZINC001034523798 780991864 /nfs/dbraw/zinc/99/18/64/780991864.db2.gz OMQUGFRHRUQUTB-QGZVFWFLSA-N 0 1 298.430 2.568 20 30 CFEDMN N#C[C@@H]1CN(Cc2ccc(C(F)F)cc2)CCC1=O ZINC001143252267 781140910 /nfs/dbraw/zinc/14/09/10/781140910.db2.gz XLGMZSCYANUFGJ-GFCCVEGCSA-N 0 1 264.275 2.539 20 30 CFEDMN C=CCN1CC2(C1)CCN(C(=O)[C@@H](C)C(C)(C)C)CC2 ZINC001035732458 781161986 /nfs/dbraw/zinc/16/19/86/781161986.db2.gz DCFXOKZKKXZAAN-CQSZACIVSA-N 0 1 278.440 2.779 20 30 CFEDMN C=C(C)C(C)(C)C(=O)N1CCC2(CN(CC#CC)C2)CC1 ZINC001035767010 781165409 /nfs/dbraw/zinc/16/54/09/781165409.db2.gz NNNQURXPTMYPJG-UHFFFAOYSA-N 0 1 288.435 2.536 20 30 CFEDMN C=CCN1CC2(C1)CCN(C(=O)C1(C(F)F)CCC1)CC2 ZINC001035774475 781170717 /nfs/dbraw/zinc/17/07/17/781170717.db2.gz JSGYHSLURHEVKO-UHFFFAOYSA-N 0 1 298.377 2.532 20 30 CFEDMN C=CCN1CC2(C1)CCN(C(=O)C1(C(C)(F)F)CC1)CC2 ZINC001035799066 781170885 /nfs/dbraw/zinc/17/08/85/781170885.db2.gz WSCWLRLFRYIZSI-UHFFFAOYSA-N 0 1 298.377 2.532 20 30 CFEDMN C=CCN1CC2(C1)CCN(C(=O)[C@@H]1CC13CCCC3)CC2 ZINC001035829278 781175223 /nfs/dbraw/zinc/17/52/23/781175223.db2.gz OXBQOHUGQBPANN-HNNXBMFYSA-N 0 1 288.435 2.677 20 30 CFEDMN N#CCc1ccc(-c2ccc3[nH]nnc3c2)cc1C#N ZINC001241941421 781196397 /nfs/dbraw/zinc/19/63/97/781196397.db2.gz YRGUZESATVVMGB-UHFFFAOYSA-N 0 1 259.272 2.563 20 30 CFEDMN N#CCc1ccc(-c2ccc3nn[nH]c3c2)cc1C#N ZINC001241941421 781196399 /nfs/dbraw/zinc/19/63/99/781196399.db2.gz YRGUZESATVVMGB-UHFFFAOYSA-N 0 1 259.272 2.563 20 30 CFEDMN N#Cc1ccc(-c2ccc3[nH]nnc3c2)c2cc[nH]c21 ZINC001241943162 781199159 /nfs/dbraw/zinc/19/91/59/781199159.db2.gz YYFSFMLWFXJQJO-UHFFFAOYSA-N 0 1 259.272 2.978 20 30 CFEDMN N#Cc1ccc(-c2ccc3nn[nH]c3c2)c2cc[nH]c21 ZINC001241943162 781199160 /nfs/dbraw/zinc/19/91/60/781199160.db2.gz YYFSFMLWFXJQJO-UHFFFAOYSA-N 0 1 259.272 2.978 20 30 CFEDMN COc1cc(-c2ccc3[nH]nnc3c2)cc(F)c1C#N ZINC001241943395 781199390 /nfs/dbraw/zinc/19/93/90/781199390.db2.gz LBNJPKIJKSKBCU-UHFFFAOYSA-N 0 1 268.251 2.644 20 30 CFEDMN COc1cc(-c2ccc3nn[nH]c3c2)cc(F)c1C#N ZINC001241943395 781199392 /nfs/dbraw/zinc/19/93/92/781199392.db2.gz LBNJPKIJKSKBCU-UHFFFAOYSA-N 0 1 268.251 2.644 20 30 CFEDMN N#Cc1cncc(-c2cc(N3CCCC3)ccn2)c1 ZINC001242271920 781354792 /nfs/dbraw/zinc/35/47/92/781354792.db2.gz LOLYGXDICKFYIB-UHFFFAOYSA-N 0 1 250.305 2.615 20 30 CFEDMN C=C(Cl)CN1CC[C@@H]2CN(C(=O)CCC3CC3)CC[C@@H]21 ZINC001036670195 781392395 /nfs/dbraw/zinc/39/23/95/781392395.db2.gz PYBLNGPBDPEYON-CABCVRRESA-N 0 1 296.842 2.852 20 30 CFEDMN CC1(C)CC(=O)C=C(c2cc3[nH]nnc3cc2F)C1 ZINC001242315983 781393510 /nfs/dbraw/zinc/39/35/10/781393510.db2.gz CCDNCDBQQJCYDA-UHFFFAOYSA-N 0 1 259.284 2.870 20 30 CFEDMN N#Cc1ccc(CN2CCC[C@@H](CF)C2)c(F)c1 ZINC000711418614 781430976 /nfs/dbraw/zinc/43/09/76/781430976.db2.gz HEOJLUJJNALMQR-LBPRGKRZSA-N 0 1 250.292 2.879 20 30 CFEDMN N#Cc1cc(-c2ncc3ccsc3n2)ccc1O ZINC001242561702 781599446 /nfs/dbraw/zinc/59/94/46/781599446.db2.gz AZLDNZPHFVONIS-UHFFFAOYSA-N 0 1 253.286 2.936 20 30 CFEDMN CC(C)Nc1ccnc(-c2ccc(O)c(C#N)c2)n1 ZINC001242562234 781600434 /nfs/dbraw/zinc/60/04/34/781600434.db2.gz MYSVFWBKCVYRRD-UHFFFAOYSA-N 0 1 254.293 2.541 20 30 CFEDMN N#Cc1cc(-c2nccc(-c3cccnc3)n2)ccc1O ZINC001242562842 781601858 /nfs/dbraw/zinc/60/18/58/781601858.db2.gz LKNACYYAVHBQHO-UHFFFAOYSA-N 0 1 274.283 2.783 20 30 CFEDMN CN1CCN(c2ccc(-c3ccc(F)cc3C#N)cn2)CC1 ZINC001242582264 781615423 /nfs/dbraw/zinc/61/54/23/781615423.db2.gz WPWPLCRZNDCFIJ-UHFFFAOYSA-N 0 1 296.349 2.511 20 30 CFEDMN N#Cc1nc(-c2ccc3ocnc3c2)cc2[nH]cnc21 ZINC001242594780 781625872 /nfs/dbraw/zinc/62/58/72/781625872.db2.gz RTBDNOILFBOKEU-UHFFFAOYSA-N 0 1 261.244 2.638 20 30 CFEDMN C=CCN1C[C@@H](C)[C@H](NC(=O)c2cc(C)sc2C)C1 ZINC001080064181 781633703 /nfs/dbraw/zinc/63/37/03/781633703.db2.gz MRTAWGCGZIOHKA-QMTHXVAHSA-N 0 1 278.421 2.601 20 30 CFEDMN C=CCN1C[C@@H](C)[C@H](NC(=O)c2ccsc2Cl)C1 ZINC001080561551 781668618 /nfs/dbraw/zinc/66/86/18/781668618.db2.gz KVWCXJUNLSFWGS-MWLCHTKSSA-N 0 1 284.812 2.638 20 30 CFEDMN N#Cc1c[nH]c2ccnc(-c3cnc(C(F)(F)F)nc3)c12 ZINC001242661094 781679546 /nfs/dbraw/zinc/67/95/46/781679546.db2.gz GJNBDPOOMDPMHH-UHFFFAOYSA-N 0 1 289.220 2.910 20 30 CFEDMN C#CCN1C[C@@H](C)[C@H](NC(=O)c2cccc3ccccc32)C1 ZINC001080880663 781682334 /nfs/dbraw/zinc/68/23/34/781682334.db2.gz OUBZQCNDEYPOLI-RDTXWAMCSA-N 0 1 292.382 2.523 20 30 CFEDMN C=CCN1C[C@@H](C)[C@H](NC(=O)C2(C)CCC(C)CC2)C1 ZINC001081020258 781696345 /nfs/dbraw/zinc/69/63/45/781696345.db2.gz ZVYVGWUEVZTBKL-GYMHETDLSA-N 0 1 278.440 2.825 20 30 CFEDMN C=C(Cl)CN[C@@H]1CN(C(=O)CC)C[C@H]1c1ccccc1 ZINC001081072148 781700277 /nfs/dbraw/zinc/70/02/77/781700277.db2.gz HKEBHJKMHOINGH-LSDHHAIUSA-N 0 1 292.810 2.733 20 30 CFEDMN C[C@@H]1CC(=O)C=C(c2nc(C(C)(C)C)nc3nc[nH]c32)C1 ZINC001242735674 781728989 /nfs/dbraw/zinc/72/89/89/781728989.db2.gz ADBPJMUCINFYPG-VIFPVBQESA-N 0 1 284.363 2.984 20 30 CFEDMN C=C(Cl)CN[C@@H]1CN(C(=O)C[C@@H]2CC=CCC2)C[C@H]1C ZINC001082688221 781739663 /nfs/dbraw/zinc/73/96/63/781739663.db2.gz NSOXZWTWBPZJMS-BPLDGKMQSA-N 0 1 296.842 2.922 20 30 CFEDMN C=C(Cl)CN[C@@H]1CN(C(=O)C[C@H]2CC=CCC2)C[C@H]1C ZINC001082688222 781739972 /nfs/dbraw/zinc/73/99/72/781739972.db2.gz NSOXZWTWBPZJMS-VHDGCEQUSA-N 0 1 296.842 2.922 20 30 CFEDMN C=C(Cl)CN[C@@H]1CN(C(=O)[C@@H]2C[C@H]2C2CCC2)C[C@H]1C ZINC001082798478 781743517 /nfs/dbraw/zinc/74/35/17/781743517.db2.gz WLWJCTBHXXGOLR-AQNFWKISSA-N 0 1 296.842 2.612 20 30 CFEDMN C#CCN1CC(C)(C)CC[C@H]1CNC(=O)C[C@@H]1C=CCC1 ZINC001098887586 781748900 /nfs/dbraw/zinc/74/89/00/781748900.db2.gz GGNJHKCIWJMGMK-CVEARBPZSA-N 0 1 288.435 2.583 20 30 CFEDMN COc1ccc(C#N)c(-c2cccc(O)c2Cl)n1 ZINC001242803615 781768724 /nfs/dbraw/zinc/76/87/24/781768724.db2.gz URAZVTBFYIVCKW-UHFFFAOYSA-N 0 1 260.680 2.988 20 30 CFEDMN C=C(C)CN1CC[C@@H]2CN(C(=O)c3c(C)coc3C)[C@@H]2C1 ZINC001084319812 781789063 /nfs/dbraw/zinc/78/90/63/781789063.db2.gz JVDQIXXDRJRYEP-HUUCEWRRSA-N 0 1 288.391 2.619 20 30 CFEDMN C=CC[N@@H+]1CC[C@@H]2CN(C(=O)Cc3cccc(CC)c3)[C@@H]2C1 ZINC001084461795 781794855 /nfs/dbraw/zinc/79/48/55/781794855.db2.gz REQCXOMVKNWDPP-QZTJIDSGSA-N 0 1 298.430 2.510 20 30 CFEDMN C=CCN1CC[C@@H]2CN(C(=O)Cc3cccc(CC)c3)[C@@H]2C1 ZINC001084461795 781794862 /nfs/dbraw/zinc/79/48/62/781794862.db2.gz REQCXOMVKNWDPP-QZTJIDSGSA-N 0 1 298.430 2.510 20 30 CFEDMN C=CCN1CC[C@@H]2CN(C(=O)[C@@H]3CCC=CCCC3)[C@@H]2C1 ZINC001084445959 781796550 /nfs/dbraw/zinc/79/65/50/781796550.db2.gz NOSCKIVNJSBRHM-BRWVUGGUSA-N 0 1 288.435 2.842 20 30 CFEDMN C=CCN1CC[C@@H]2CN(C(=O)c3ccsc3Cl)[C@@H]2C1 ZINC001084703091 781822979 /nfs/dbraw/zinc/82/29/79/781822979.db2.gz HXVSDNVWHPNJRO-ZYHUDNBSSA-N 0 1 296.823 2.734 20 30 CFEDMN COC1(CN2Cc3ccc(C#N)cc3C2)CCCC1 ZINC000594610854 349462539 /nfs/dbraw/zinc/46/25/39/349462539.db2.gz GGYUGYIULHGRQI-UHFFFAOYSA-N 0 1 256.349 2.833 20 30 CFEDMN C[C@@H](NCc1cnc2n1CCC2)c1ccc(C#N)cc1 ZINC000594914197 349504351 /nfs/dbraw/zinc/50/43/51/349504351.db2.gz FCPWPBCADMJDBR-GFCCVEGCSA-N 0 1 266.348 2.552 20 30 CFEDMN C=Cn1cc(CNC(C)(C)c2cccc(C#N)c2)cn1 ZINC000594969440 349534775 /nfs/dbraw/zinc/53/47/75/349534775.db2.gz QNVFOXAKVXIXRP-UHFFFAOYSA-N 0 1 266.348 2.880 20 30 CFEDMN C=CCCSCC[NH2+]Cc1ccnn1-c1ccncc1 ZINC000594965722 349533306 /nfs/dbraw/zinc/53/33/06/349533306.db2.gz CXAJXVJGTKFAKB-UHFFFAOYSA-N 0 1 288.420 2.666 20 30 CFEDMN C=C(C)COCCN[C@@H](C)c1ccc([N+](=O)[O-])cc1OC ZINC000595021293 349552872 /nfs/dbraw/zinc/55/28/72/349552872.db2.gz BWWDBFFAWZTJMJ-LBPRGKRZSA-N 0 1 294.351 2.847 20 30 CFEDMN C=C(C)COCCN[C@H](C)c1ccc([N+](=O)[O-])cc1OC ZINC000595021292 349553105 /nfs/dbraw/zinc/55/31/05/349553105.db2.gz BWWDBFFAWZTJMJ-GFCCVEGCSA-N 0 1 294.351 2.847 20 30 CFEDMN COc1cc([N+](=O)[O-])ccc1[C@@H](C)N[C@@H]1CC[C@H](C#N)C1 ZINC000595044714 349561792 /nfs/dbraw/zinc/56/17/92/349561792.db2.gz OEGPYCKQQYIQAL-GRYCIOLGSA-N 0 1 289.335 2.946 20 30 CFEDMN C[C@@H]1c2cccn2CCN1CCc1ccc(C#N)cc1 ZINC000595287074 349591256 /nfs/dbraw/zinc/59/12/56/349591256.db2.gz KUIVPOWYCZJFNK-CQSZACIVSA-N 0 1 265.360 2.979 20 30 CFEDMN CC[C@H](C)N(C)CC(=O)Nc1ccc(C#N)c(Cl)c1 ZINC000068450044 346853577 /nfs/dbraw/zinc/85/35/77/346853577.db2.gz YHQJHIMYLRKMHS-JTQLQIEISA-N 0 1 279.771 2.880 20 30 CFEDMN C=CCN(CCO[C@@H]1CC1(F)F)Cc1cccc(C#N)c1 ZINC000595297180 349594509 /nfs/dbraw/zinc/59/45/09/349594509.db2.gz QAURDKPJWWDQFC-OAHLLOKOSA-N 0 1 292.329 2.970 20 30 CFEDMN C=CCN(CCO[C@H]1CC1(F)F)Cc1cccc(C#N)c1 ZINC000595297178 349594639 /nfs/dbraw/zinc/59/46/39/349594639.db2.gz QAURDKPJWWDQFC-HNNXBMFYSA-N 0 1 292.329 2.970 20 30 CFEDMN C#CCN(C)C[C@@H](O)COc1ccc(-c2ccccc2)cc1 ZINC000096934633 185133212 /nfs/dbraw/zinc/13/32/12/185133212.db2.gz PANHOUFATOFIET-GOSISDBHSA-N 0 1 295.382 2.658 20 30 CFEDMN CN(C)[C@@H](CNc1ccc(Cl)c(C#N)n1)c1ccco1 ZINC000068658596 346862978 /nfs/dbraw/zinc/86/29/78/346862978.db2.gz WPCMEGRSYJMPAI-LBPRGKRZSA-N 0 1 290.754 2.914 20 30 CFEDMN Cc1nnc([C@@H](C)NCCc2ccc(C#N)cc2)s1 ZINC000595438416 349625873 /nfs/dbraw/zinc/62/58/73/349625873.db2.gz PMLPMIRNMKKVPM-SNVBAGLBSA-N 0 1 272.377 2.612 20 30 CFEDMN Cc1noc([C@H]2CCCN2CCc2ccc(C#N)cc2)n1 ZINC000595485025 349640126 /nfs/dbraw/zinc/64/01/26/349640126.db2.gz UKOXBRWZOGGKNS-OAHLLOKOSA-N 0 1 282.347 2.629 20 30 CFEDMN Cc1cc(=O)[n-]c(C(C)(C)[NH2+]CCCC(C)(C)C#N)n1 ZINC000595521201 349649707 /nfs/dbraw/zinc/64/97/07/349649707.db2.gz XVEBRPIQFUPHSR-UHFFFAOYSA-N 0 1 276.384 2.645 20 30 CFEDMN Cc1nc2ccccn2c1CN1CCC[C@H](CC#N)C1 ZINC000595617068 349678234 /nfs/dbraw/zinc/67/82/34/349678234.db2.gz SMPIHSTZUGJTKW-CQSZACIVSA-N 0 1 268.364 2.768 20 30 CFEDMN CC[C@@H]1CCCCN1C(=O)[C@H](C)N1CCC[C@@H](CC#N)C1 ZINC000595609011 349673555 /nfs/dbraw/zinc/67/35/55/349673555.db2.gz DUSVKCDFLZTTQC-HRCADAONSA-N 0 1 291.439 2.792 20 30 CFEDMN COc1coc(CNC(C)(C)c2cccc(C#N)c2)cc1=O ZINC000595635515 349684649 /nfs/dbraw/zinc/68/46/49/349684649.db2.gz LJYIOCSDXORVLD-UHFFFAOYSA-N 0 1 298.342 2.545 20 30 CFEDMN C[C@@H]1COC2(CCC2)CN1CCOc1ccc(C#N)cc1 ZINC000595676920 349696631 /nfs/dbraw/zinc/69/66/31/349696631.db2.gz WBXNUJJEXVDXNC-CQSZACIVSA-N 0 1 286.375 2.580 20 30 CFEDMN C=C(C)c1cccc(NC(=O)NC[C@@H]2CCN2C)c1 ZINC000934886500 649847742 /nfs/dbraw/zinc/84/77/42/649847742.db2.gz KCRFARCNSHOCKJ-AWEZNQCLSA-N 0 1 259.353 2.545 20 30 CFEDMN N#Cc1ccc(CN2CC[C@H]3COC[C@@H]3C2)c(Cl)c1 ZINC000595826854 349743470 /nfs/dbraw/zinc/74/34/70/349743470.db2.gz KFYZHURZDKBOQE-KBPBESRZSA-N 0 1 276.767 2.680 20 30 CFEDMN N#Cc1cc(Cl)ccc1CN[C@H]1C[C@@H](O)C12CCC2 ZINC000595781501 349731707 /nfs/dbraw/zinc/73/17/07/349731707.db2.gz LGLHXQGKRWOKRV-UONOGXRCSA-N 0 1 276.767 2.605 20 30 CFEDMN N#Cc1ccc(CN2CCC(c3ccon3)CC2)cc1 ZINC000595838203 349749030 /nfs/dbraw/zinc/74/90/30/349749030.db2.gz SWKIMCPAOGLKRG-UHFFFAOYSA-N 0 1 267.332 2.926 20 30 CFEDMN COC(=O)[C@H]1C[C@@H](N(C)CC#Cc2ccccc2Cl)C1 ZINC000595851121 349755181 /nfs/dbraw/zinc/75/51/81/349755181.db2.gz XNAJIQAABYOAHN-OKILXGFUSA-N 0 1 291.778 2.575 20 30 CFEDMN Cc1ccc([C@H](N)C(=O)NCC2(C#N)CCCCC2)cc1 ZINC000595973685 349773922 /nfs/dbraw/zinc/77/39/22/349773922.db2.gz ZCUAMFLCLWFPPT-HNNXBMFYSA-N 0 1 285.391 2.585 20 30 CFEDMN C[C@H](CN=c1[n-]c(C#N)c(Cl)s1)[N@H+]1CCC[C@@H](C)C1 ZINC000596077593 349788278 /nfs/dbraw/zinc/78/82/78/349788278.db2.gz KXUGRNXWCAFRSW-NXEZZACHSA-N 0 1 298.843 2.622 20 30 CFEDMN C=C(C)CN(CC)CC(=O)NCc1ccc(Cl)cc1 ZINC000072553305 346929171 /nfs/dbraw/zinc/92/91/71/346929171.db2.gz MFSMZQOKHIQUJG-UHFFFAOYSA-N 0 1 280.799 2.854 20 30 CFEDMN CCN(CCC(=O)Nc1cc(F)cc(F)c1)C[C@H](C)C#N ZINC000072580271 346930856 /nfs/dbraw/zinc/93/08/56/346930856.db2.gz FZJIJICALFZPPN-LLVKDONJSA-N 0 1 295.333 2.775 20 30 CFEDMN CSCC[C@H](C)N(C)CC(=O)Nc1sccc1C#N ZINC000126518653 187245196 /nfs/dbraw/zinc/24/51/96/187245196.db2.gz KLGZGXFLZQHJID-JTQLQIEISA-N 0 1 297.449 2.632 20 30 CFEDMN Cc1nn(C)c(C)c1CN[C@H]1CCc2ccc(C#N)cc21 ZINC000335183495 282262826 /nfs/dbraw/zinc/26/28/26/282262826.db2.gz WQRFONJCOZGYQA-KRWDZBQOSA-N 0 1 280.375 2.686 20 30 CFEDMN C[C@@](O)(CNc1nc(C#N)c(Cl)s1)C1CCCCC1 ZINC000596208644 349827086 /nfs/dbraw/zinc/82/70/86/349827086.db2.gz UMBPPZZIEXDPTN-CYBMUJFWSA-N 0 1 299.827 2.833 20 30 CFEDMN CC[C@H](C)[C@@H](CNc1nc(C#N)c(Cl)s1)OC ZINC000596249662 349840481 /nfs/dbraw/zinc/84/04/81/349840481.db2.gz JQFREQIZFROXJM-IONNQARKSA-N 0 1 273.789 2.563 20 30 CFEDMN CN(CC#Cc1ccccc1Cl)[C@H]1CCCOC1 ZINC000352220396 529823598 /nfs/dbraw/zinc/82/35/98/529823598.db2.gz IDJCHRLKNGGNJF-AWEZNQCLSA-N 0 1 263.768 2.802 20 30 CFEDMN C[C@@H](c1ccccc1)N1CCN(c2cc(C#N)ccn2)CC1 ZINC000073957169 346986668 /nfs/dbraw/zinc/98/66/68/346986668.db2.gz PQCKPVBDWPPOPS-HNNXBMFYSA-N 0 1 292.386 2.836 20 30 CFEDMN C#CCN(CC#C)C(=O)c1ccc(Nc2ccncc2)cc1 ZINC000074226653 347003041 /nfs/dbraw/zinc/00/30/41/347003041.db2.gz UFPHQAVUYHAZDY-UHFFFAOYSA-N 0 1 289.338 2.534 20 30 CFEDMN C=CCOCCCc1nc(-c2ccc3[nH]cnc3c2)no1 ZINC000273930310 192367821 /nfs/dbraw/zinc/36/78/21/192367821.db2.gz OANCFMKRJJTYAP-UHFFFAOYSA-N 0 1 284.319 2.748 20 30 CFEDMN CC(=O)c1ccc(C#N)c(NCCN2CCCCC2)c1 ZINC000273219391 192078020 /nfs/dbraw/zinc/07/80/20/192078020.db2.gz OXBHJBIVADUQOP-UHFFFAOYSA-N 0 1 271.364 2.659 20 30 CFEDMN CCc1nnc(NC(=O)c2c(F)cc(C#N)cc2F)s1 ZINC000152263563 232217071 /nfs/dbraw/zinc/21/70/71/232217071.db2.gz LIMIGRQUUINKBZ-UHFFFAOYSA-N 0 1 294.286 2.503 20 30 CFEDMN CN(CCNC(=O)OC(C)(C)C)Cc1cccc(C#N)c1 ZINC000128346830 187365436 /nfs/dbraw/zinc/36/54/36/187365436.db2.gz FVXFYORJWZRJII-UHFFFAOYSA-N 0 1 289.379 2.515 20 30 CFEDMN Cc1ccnc(NC[C@H]2CCN2Cc2ccccc2)c1C#N ZINC000596558675 349941991 /nfs/dbraw/zinc/94/19/91/349941991.db2.gz SYPSXHRUCXGPGP-MRXNPFEDSA-N 0 1 292.386 2.948 20 30 CFEDMN CCCCN(CC)CC(=O)Nc1sccc1C#N ZINC000027272489 346268579 /nfs/dbraw/zinc/26/85/79/346268579.db2.gz YBJBUYYGCJXYLL-UHFFFAOYSA-N 0 1 265.382 2.680 20 30 CFEDMN Cc1ccsc1C(=O)C(C#N)c1cc(C)nc(C)n1 ZINC000041574335 346353191 /nfs/dbraw/zinc/35/31/91/346353191.db2.gz GNYRKJMQZHGZKY-NSHDSACASA-N 0 1 271.345 2.953 20 30 CFEDMN CN(C)[C@H](CNC(=O)C1(C#N)CCCC1)c1ccsc1 ZINC000045495885 346410271 /nfs/dbraw/zinc/41/02/71/346410271.db2.gz MELFLDXQJISHJG-CYBMUJFWSA-N 0 1 291.420 2.551 20 30 CFEDMN CCN(CC(=O)N(CCC#N)c1ccc(C)cc1)C1CC1 ZINC000046059008 346419124 /nfs/dbraw/zinc/41/91/24/346419124.db2.gz NCSQTDNUUDBPJA-UHFFFAOYSA-N 0 1 285.391 2.726 20 30 CFEDMN N#Cc1c(Cl)nsc1NC1CCN(C2CC2)CC1 ZINC000047405306 346450233 /nfs/dbraw/zinc/45/02/33/346450233.db2.gz OSYOTQYYFHYDHU-UHFFFAOYSA-N 0 1 282.800 2.707 20 30 CFEDMN CCCN(CC(=O)N(CC)CC)Cc1ccc(C#N)cc1 ZINC000047726561 346458310 /nfs/dbraw/zinc/45/83/10/346458310.db2.gz BNWKWABETHJCCT-UHFFFAOYSA-N 0 1 287.407 2.639 20 30 CFEDMN CC(C)CCN(C)CC(=O)N(CCC#N)c1ccccc1 ZINC000052246145 346518543 /nfs/dbraw/zinc/51/85/43/346518543.db2.gz CLQRPBLXDDARTL-UHFFFAOYSA-N 0 1 287.407 2.911 20 30 CFEDMN C=CCN(CCCN1CCCC1=O)Cc1ccccc1F ZINC000064247362 346716752 /nfs/dbraw/zinc/71/67/52/346716752.db2.gz DPPUUGSSJUQBHQ-UHFFFAOYSA-N 0 1 290.382 2.826 20 30 CFEDMN C[C@@H](C#N)CN(C)CCCOCCc1ccccc1 ZINC000064798366 346725784 /nfs/dbraw/zinc/72/57/84/346725784.db2.gz WFUTYCLDNBLMOQ-HNNXBMFYSA-N 0 1 260.381 2.727 20 30 CFEDMN C=CCOc1ccc(C[N@@H+]2CCC[C@H](C(=O)[O-])C2)cc1 ZINC000066115127 346747913 /nfs/dbraw/zinc/74/79/13/346747913.db2.gz GCHDCLFXEBOOEQ-AWEZNQCLSA-N 0 1 275.348 2.548 20 30 CFEDMN C=C(C)CN(CC)CC(=O)NCc1ccccc1C ZINC000066863746 346782700 /nfs/dbraw/zinc/78/27/00/346782700.db2.gz KHJXRYUVYIUBRN-UHFFFAOYSA-N 0 1 260.381 2.509 20 30 CFEDMN C=CCCCN(C)C(=O)c1c[n-]c2[nH+]c(C)ccc2c1=O ZINC000077108075 347168504 /nfs/dbraw/zinc/16/85/04/347168504.db2.gz TWZZLLOZWNECBH-UHFFFAOYSA-N 0 1 285.347 2.682 20 30 CFEDMN C=CCNC(=O)[C@@H](C)N1CCC[C@@H]1c1ccsc1 ZINC000076989450 347163415 /nfs/dbraw/zinc/16/34/15/347163415.db2.gz FSRJLWBQRFMFJS-DGCLKSJQSA-N 0 1 264.394 2.576 20 30 CFEDMN N#C[C@H](c1ccccc1)[C@H]1CCCN1CCn1cccn1 ZINC000076154001 347126887 /nfs/dbraw/zinc/12/68/87/347126887.db2.gz IUYMJVOHIYMXMI-IAGOWNOFSA-N 0 1 280.375 2.655 20 30 CFEDMN C[C@@H](NCc1cnc(N(C)C)s1)c1ccc(C#N)cc1 ZINC000077326225 347186554 /nfs/dbraw/zinc/18/65/54/347186554.db2.gz BXDNARYNTZIBBF-LLVKDONJSA-N 0 1 286.404 2.932 20 30 CFEDMN C[C@@H]1CCCN(CCNc2snc(Cl)c2C#N)C1 ZINC000079914749 347331463 /nfs/dbraw/zinc/33/14/63/347331463.db2.gz SSXBNWYOZMXDMZ-SECBINFHSA-N 0 1 284.816 2.812 20 30 CFEDMN C[C@@H](c1ccc(C#N)cc1)N1CC[C@](O)(C(F)(F)F)C1 ZINC000081065183 347402551 /nfs/dbraw/zinc/40/25/51/347402551.db2.gz WAVVUUXDCQQWDA-GXFFZTMASA-N 0 1 284.281 2.618 20 30 CFEDMN N#Cc1ccc(CN2CCC[C@@H](c3ncc[nH]3)C2)c(F)c1 ZINC000080961587 347389761 /nfs/dbraw/zinc/38/97/61/347389761.db2.gz JCMLQIIARLZJQJ-CQSZACIVSA-N 0 1 284.338 2.800 20 30 CFEDMN CCN(CCC#N)C[C@@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC000081039849 347400301 /nfs/dbraw/zinc/40/03/01/347400301.db2.gz ZWBVGJUNXUITDU-AWEZNQCLSA-N 0 1 295.427 2.869 20 30 CFEDMN C=CC1CCN(CC(=O)N[C@@H]2CCCC[C@@H]2C)CC1 ZINC000111259869 347752867 /nfs/dbraw/zinc/75/28/67/347752867.db2.gz BFLRDAUQOUJROD-DZGCQCFKSA-N 0 1 264.413 2.579 20 30 CFEDMN CC#CCN[C@@H](CC(=O)OC(C)C)c1ccccc1 ZINC000125969918 347831270 /nfs/dbraw/zinc/83/12/70/347831270.db2.gz HYZPYALVQVVWKU-HNNXBMFYSA-N 0 1 259.349 2.682 20 30 CFEDMN C=CCN(Cc1ccccc1F)C(=O)c1cc(CC)[nH]n1 ZINC000132889002 347887879 /nfs/dbraw/zinc/88/78/79/347887879.db2.gz JDJPDANBJPQBKZ-UHFFFAOYSA-N 0 1 287.338 2.940 20 30 CFEDMN CC(C)(C#N)CCCCN1CCN(c2nccs2)CC1 ZINC000232531221 348211839 /nfs/dbraw/zinc/21/18/39/348211839.db2.gz KPWPMGCARRODAR-UHFFFAOYSA-N 0 1 292.452 2.985 20 30 CFEDMN Cc1ccnc(N[C@@H](C)c2n[nH]c(C(C)C)n2)c1C#N ZINC000273331846 192116002 /nfs/dbraw/zinc/11/60/02/192116002.db2.gz MFZHYRHLDANRDL-JTQLQIEISA-N 0 1 270.340 2.676 20 30 CFEDMN CC(C)(C#N)CCCN[C@@H](CO)c1c(F)cccc1F ZINC000273071937 348333081 /nfs/dbraw/zinc/33/30/81/348333081.db2.gz FMTKLSFPBIVPCD-ZDUSSCGKSA-N 0 1 282.334 2.918 20 30 CFEDMN CCc1nc([C@H](C)Nc2ncc(Cl)c(C)c2C#N)n[nH]1 ZINC000273409059 192141236 /nfs/dbraw/zinc/14/12/36/192141236.db2.gz XHLDLEOMCJQQDB-QMMMGPOBSA-N 0 1 290.758 2.769 20 30 CFEDMN CN(C)Cc1cc(-c2noc(C(C)(C)C#N)n2)ccc1F ZINC000357055799 348504253 /nfs/dbraw/zinc/50/42/53/348504253.db2.gz RNVOOIGBAMLBRV-UHFFFAOYSA-N 0 1 288.326 2.738 20 30 CFEDMN COC(=O)[C@@H]1CCCCCN1CCCC(C)(C)C#N ZINC000364695873 348510035 /nfs/dbraw/zinc/51/00/35/348510035.db2.gz OGAXMHHYFAKVMQ-ZDUSSCGKSA-N 0 1 266.385 2.734 20 30 CFEDMN COc1ccc(CNCc2cnc(C)s2)cc1C#N ZINC000087823904 179494541 /nfs/dbraw/zinc/49/45/41/179494541.db2.gz GNEJHFGXDLULQP-UHFFFAOYSA-N 0 1 273.361 2.622 20 30 CFEDMN C=CCOCCNCc1ccsc1Br ZINC000388493087 348538587 /nfs/dbraw/zinc/53/85/87/348538587.db2.gz ILFBZKQSSUGODS-UHFFFAOYSA-N 0 1 276.199 2.803 20 30 CFEDMN CC[C@@H]1COC(C)(C)CN1CCOc1ccc(C#N)cc1 ZINC000403909990 348588749 /nfs/dbraw/zinc/58/87/49/348588749.db2.gz YMEMDTMLHCBIGR-OAHLLOKOSA-N 0 1 288.391 2.826 20 30 CFEDMN Cc1nc(C)c(CNCc2ccc(CC#N)cc2)o1 ZINC000399002404 348568430 /nfs/dbraw/zinc/56/84/30/348568430.db2.gz UNOGLLKTMFBPSR-UHFFFAOYSA-N 0 1 255.321 2.647 20 30 CFEDMN C=CCN1CCN(c2cccc3cnccc32)C[C@H]1C ZINC000447389312 348618745 /nfs/dbraw/zinc/61/87/45/348618745.db2.gz YOEXIMNTCFTMTP-CQSZACIVSA-N 0 1 267.376 2.931 20 30 CFEDMN CCN1CCN(c2nc(C(C)(C)C)ccc2C#N)[C@H](C)C1 ZINC000588068846 348770551 /nfs/dbraw/zinc/77/05/51/348770551.db2.gz HOGJIRCJYOPDBP-CYBMUJFWSA-N 0 1 286.423 2.781 20 30 CFEDMN N#CCCCCCC(=O)Nc1ncc(C(F)(F)F)[nH]1 ZINC000588649675 348790071 /nfs/dbraw/zinc/79/00/71/348790071.db2.gz YTHKGSVREHZWJG-UHFFFAOYSA-N 0 1 274.246 2.841 20 30 CFEDMN CC[C@](C)(C#N)C(=O)NCc1nc2ccc(Cl)cc2[nH]1 ZINC000586779385 348751210 /nfs/dbraw/zinc/75/12/10/348751210.db2.gz WMNDMCBQCSOPEZ-CQSZACIVSA-N 0 1 290.754 2.772 20 30 CFEDMN COc1cncc(CN[C@H](C)c2cccc(C#N)c2)c1 ZINC000588965364 348806593 /nfs/dbraw/zinc/80/65/93/348806593.db2.gz QOSREOMGLPAHRT-GFCCVEGCSA-N 0 1 267.332 2.813 20 30 CFEDMN Cc1c(C#N)cccc1NC(=O)c1cc(O)cc(C#N)c1 ZINC000589190866 348818122 /nfs/dbraw/zinc/81/81/22/348818122.db2.gz KGSWATINHHZMDC-UHFFFAOYSA-N 0 1 277.283 2.696 20 30 CFEDMN CCOC(=O)c1ccc(CN[C@H]2CCC[C@@H](C#N)C2)o1 ZINC000589196916 348818880 /nfs/dbraw/zinc/81/88/80/348818880.db2.gz GNRBGQHPEPRWHQ-NEPJUHHUSA-N 0 1 276.336 2.628 20 30 CFEDMN C[C@H](c1ccncc1)N1CC[C@H](Oc2ccc(C#N)cn2)C1 ZINC000590005504 348868962 /nfs/dbraw/zinc/86/89/62/348868962.db2.gz VRGAATJVXIEWCS-CJNGLKHVSA-N 0 1 294.358 2.563 20 30 CFEDMN Cc1nocc1CN[C@@H]1CCc2cc(C#N)ccc21 ZINC000590188290 348883973 /nfs/dbraw/zinc/88/39/73/348883973.db2.gz NKTPAKGHOGZWRF-OAHLLOKOSA-N 0 1 253.305 2.632 20 30 CFEDMN Cc1nocc1CN[C@H]1CCc2cc(C#N)ccc21 ZINC000590188289 348883983 /nfs/dbraw/zinc/88/39/83/348883983.db2.gz NKTPAKGHOGZWRF-HNNXBMFYSA-N 0 1 253.305 2.632 20 30 CFEDMN CC(C)(C)c1ccc(C#N)c(NCc2n[nH]c(C3CC3)n2)n1 ZINC000590709676 348933169 /nfs/dbraw/zinc/93/31/69/348933169.db2.gz HFAPLNLFWOBELC-UHFFFAOYSA-N 0 1 296.378 2.858 20 30 CFEDMN CC1(C)CC(N=c2[n-]c(C#N)c(Cl)s2)CC(C)(C)[NH2+]1 ZINC000590570420 348909814 /nfs/dbraw/zinc/90/98/14/348909814.db2.gz VKSJCLQEKCTCRJ-UHFFFAOYSA-N 0 1 298.843 2.811 20 30 CFEDMN CC(C)(C#N)CNC[C@H](O)Cc1ccc2ccccc2c1 ZINC000591759378 349041713 /nfs/dbraw/zinc/04/17/13/349041713.db2.gz KTDLMCIAXPJZGW-QGZVFWFLSA-N 0 1 282.387 2.883 20 30 CFEDMN CC[C@H](C#N)S(=O)(=O)Nc1ccc(F)cc1SC ZINC000592353378 349106799 /nfs/dbraw/zinc/10/67/99/349106799.db2.gz DVZAAOYRXJHTEC-SECBINFHSA-N 0 1 288.369 2.591 20 30 CFEDMN N#C[C@H](c1ccccc1)N1CCN(CC2=CCCC2)CC1 ZINC000592079718 349080817 /nfs/dbraw/zinc/08/08/17/349080817.db2.gz HIYJGGOSMVELPX-GOSISDBHSA-N 0 1 281.403 2.979 20 30 CFEDMN C[C@H]1CC[C@]2(CCN(Cc3ccncc3C#N)C2)C1 ZINC000592099357 349082359 /nfs/dbraw/zinc/08/23/59/349082359.db2.gz GUJKMBVSIUOWEB-BBRMVZONSA-N 0 1 255.365 2.965 20 30 CFEDMN CCO[C@@H]1C[C@@H](NCc2ccncc2C#N)C12CCCC2 ZINC000592120834 349086070 /nfs/dbraw/zinc/08/60/70/349086070.db2.gz BPZJFEHTPQCGEI-HZPDHXFCSA-N 0 1 285.391 2.781 20 30 CFEDMN CCO[C@H]1C[C@H](NCc2ccncc2C#N)C12CCCC2 ZINC000592120833 349086149 /nfs/dbraw/zinc/08/61/49/349086149.db2.gz BPZJFEHTPQCGEI-HOTGVXAUSA-N 0 1 285.391 2.781 20 30 CFEDMN C[C@H](c1ccc(OC(F)F)cc1)N1CC[C@@](O)(CC#N)C1 ZINC000592148246 349091255 /nfs/dbraw/zinc/09/12/55/349091255.db2.gz XAIRWFOZHWJAPK-ABAIWWIYSA-N 0 1 296.317 2.699 20 30 CFEDMN COc1ccc(C#N)cc1CN1CC[C@@]2(CC2(F)F)C1 ZINC000593117430 349213450 /nfs/dbraw/zinc/21/34/50/349213450.db2.gz NDHYSDTYOXGPDC-CQSZACIVSA-N 0 1 278.302 2.798 20 30 CFEDMN C#CCNC(=O)[C@@H](C)N[C@@H](CC)c1ccc(Cl)s1 ZINC000273489629 192171331 /nfs/dbraw/zinc/17/13/31/192171331.db2.gz KEQATADJLKTDSS-ZJUUUORDSA-N 0 1 284.812 2.580 20 30 CFEDMN CN(CCn1cccn1)C([O-])=[NH+][C@@H]1CC[C@@H]2CCC[C@@H]2C1 ZINC000329798790 539730737 /nfs/dbraw/zinc/73/07/37/539730737.db2.gz GWPXKJYFZWESSS-RRFJBIMHSA-N 0 1 290.411 2.698 20 30 CFEDMN CC(C)c1nc(CN2CC[C@@](F)(C#N)C2)c2ccccn21 ZINC000593625506 349301204 /nfs/dbraw/zinc/30/12/04/349301204.db2.gz MFYYYDALAUXUOY-MRXNPFEDSA-N 0 1 286.354 2.895 20 30 CFEDMN CC[C@H](C#N)C(=O)NC[C@H](c1ccc(Cl)cc1)N(C)C ZINC000593501456 349285932 /nfs/dbraw/zinc/28/59/32/349285932.db2.gz ZTZHOPMQCZURQY-BXUZGUMPSA-N 0 1 293.798 2.609 20 30 CFEDMN CCOc1ccc(OCCN[C@@H](CC)CC#N)cc1 ZINC000594011697 349352718 /nfs/dbraw/zinc/35/27/18/349352718.db2.gz LNPAQBLNTHYDLA-ZDUSSCGKSA-N 0 1 262.353 2.746 20 30 CFEDMN Cc1n[nH]c(C(C)C)c1C(=O)NCC1(C#N)CCCC1 ZINC000593775312 349323744 /nfs/dbraw/zinc/32/37/44/349323744.db2.gz LTDXLMPWYRPKLV-UHFFFAOYSA-N 0 1 274.368 2.655 20 30 CFEDMN COc1ccccc1-c1n[nH]c(NC(=O)CCCCC#N)n1 ZINC000594256480 349400701 /nfs/dbraw/zinc/40/07/01/349400701.db2.gz XWVNPSLFLDKDDW-UHFFFAOYSA-N 0 1 299.334 2.503 20 30 CFEDMN CCOC(=O)CCN(Cc1cccc(F)c1C#N)C(C)C ZINC000594052037 349364542 /nfs/dbraw/zinc/36/45/42/349364542.db2.gz XXXIKFDGCVPKLW-UHFFFAOYSA-N 0 1 292.354 2.861 20 30 CFEDMN CC1(C)CCN(CC(=O)N[C@H](CCC#N)c2ccccc2)C1 ZINC000594328579 349407375 /nfs/dbraw/zinc/40/73/75/349407375.db2.gz QXUIGTLKCQFDRN-MRXNPFEDSA-N 0 1 299.418 2.880 20 30 CFEDMN C[C@]1(C#N)CCN(Cc2cnc(-c3ccccc3)[nH]2)C1 ZINC000597229613 350064019 /nfs/dbraw/zinc/06/40/19/350064019.db2.gz NHBWAYWMQNVLQC-MRXNPFEDSA-N 0 1 266.348 2.812 20 30 CFEDMN N#CC1(CC(=O)N2CCN(C3CCC3)CC2)CCCCC1 ZINC000597231883 350065591 /nfs/dbraw/zinc/06/55/91/350065591.db2.gz PMIAVYPZAQGICW-UHFFFAOYSA-N 0 1 289.423 2.547 20 30 CFEDMN CN(C)c1ccnc(NC(=O)CC2(C#N)CCCCC2)c1 ZINC000597496003 350104896 /nfs/dbraw/zinc/10/48/96/350104896.db2.gz ULPJRENYEAKLDZ-UHFFFAOYSA-N 0 1 286.379 2.950 20 30 CFEDMN CC(C)(C#N)CC(=O)Nc1c(=O)[nH][nH]c1-c1ccccc1 ZINC000597694579 350124940 /nfs/dbraw/zinc/12/49/40/350124940.db2.gz LJRBFFHMQTWNMF-UHFFFAOYSA-N 0 1 284.319 2.661 20 30 CFEDMN N#Cc1ccccc1/C=C/c1nc(C2(N)CCCC2)no1 ZINC000414614581 233304212 /nfs/dbraw/zinc/30/42/12/233304212.db2.gz HGUQJLBJRXGAIB-BQYQJAHWSA-N 0 1 280.331 2.840 20 30 CFEDMN CC[C@H](C)N(C)CC(=O)Nc1cc(Cl)ccc1C#N ZINC000104686661 186014150 /nfs/dbraw/zinc/01/41/50/186014150.db2.gz JADJHXWZXGMXDJ-JTQLQIEISA-N 0 1 279.771 2.880 20 30 CFEDMN C=CC[C@H]1CCCN(C(=O)c2cc(O)cc([N+](=O)[O-])c2)C1 ZINC000597996983 350175553 /nfs/dbraw/zinc/17/55/53/350175553.db2.gz CNBOWFZYKDTUFT-NSHDSACASA-N 0 1 290.319 2.729 20 30 CFEDMN C[C@H](C#N)N(C(=O)c1cc(-c2cccs2)[nH]n1)C1CC1 ZINC000598132486 350205348 /nfs/dbraw/zinc/20/53/48/350205348.db2.gz PVAUNJNVOOCWHU-SECBINFHSA-N 0 1 286.360 2.655 20 30 CFEDMN N#CC1(CNC(=O)c2ccc(F)cc2O)CCCCC1 ZINC000598311862 350232658 /nfs/dbraw/zinc/23/26/58/350232658.db2.gz TZARUWQMVHTBJL-UHFFFAOYSA-N 0 1 276.311 2.735 20 30 CFEDMN Fc1ccc(C#CCN2CC[C@H](C(F)F)C2)cc1 ZINC000677736806 539775445 /nfs/dbraw/zinc/77/54/45/539775445.db2.gz ZNVULMGOGMDMIC-LBPRGKRZSA-N 0 1 253.267 2.764 20 30 CFEDMN C[C@@]1(C#N)CCN(C(=O)c2cc(C3CCCCC3)[nH]n2)C1 ZINC000598418026 350264668 /nfs/dbraw/zinc/26/46/68/350264668.db2.gz QANIBFFBIYMXEG-INIZCTEOSA-N 0 1 286.379 2.833 20 30 CFEDMN CC1(C)CC[C@@H](CO)N(Cc2ccc(C#N)c(F)c2)C1 ZINC000598648205 350301692 /nfs/dbraw/zinc/30/16/92/350301692.db2.gz OTKLYYFFUQAXRU-AWEZNQCLSA-N 0 1 276.355 2.680 20 30 CFEDMN CCC(CC)c1cc(CNC[C@H](O)CC(C)(C)C#N)on1 ZINC000598718552 350317157 /nfs/dbraw/zinc/31/71/57/350317157.db2.gz GHNXWOHEISOTML-CYBMUJFWSA-N 0 1 293.411 2.969 20 30 CFEDMN C[C@@H]1CN(C)[C@H](C)[C@@H](C)N1C(=O)CC1(C#N)CCCCC1 ZINC000598846427 350338837 /nfs/dbraw/zinc/33/88/37/350338837.db2.gz IEMHPYXSRTWYKF-RBSFLKMASA-N 0 1 291.439 2.790 20 30 CFEDMN C[C@@H]1Cc2cn[nH]c2[C@H](C(=O)Nc2cccc(CC#N)c2)C1 ZINC000598941158 350347754 /nfs/dbraw/zinc/34/77/54/350347754.db2.gz KQTXWLGWKYSZNI-IAQYHMDHSA-N 0 1 294.358 2.780 20 30 CFEDMN Cc1cc(CN[C@@H]2CC[C@H](C#N)C2)ncc1Br ZINC000598981825 350353142 /nfs/dbraw/zinc/35/31/42/350353142.db2.gz FHBPDOVDVHFZON-WDEREUQCSA-N 0 1 294.196 2.934 20 30 CFEDMN Cc1cccc2c1C[C@H](NCc1ccc(C#N)o1)CO2 ZINC000598988190 350354707 /nfs/dbraw/zinc/35/47/07/350354707.db2.gz YZGUESWNWSWEGS-LBPRGKRZSA-N 0 1 268.316 2.553 20 30 CFEDMN CCCN(C)CC(=O)Nc1sc(C)c(C)c1C#N ZINC000106408256 186114526 /nfs/dbraw/zinc/11/45/26/186114526.db2.gz PFZRHKGHAIMCAJ-UHFFFAOYSA-N 0 1 265.382 2.517 20 30 CFEDMN CC(C)(C)CNC(=O)CNC1(c2ccc(C#N)cc2)CCC1 ZINC000599453799 350440422 /nfs/dbraw/zinc/44/04/22/350440422.db2.gz AZDJFQDPPNFXID-UHFFFAOYSA-N 0 1 299.418 2.689 20 30 CFEDMN COC(=O)[C@@H]1C[C@@H](C)N(CC#Cc2ccccc2)[C@@H](C)C1 ZINC000599695268 350485035 /nfs/dbraw/zinc/48/50/35/350485035.db2.gz KSZAORJWOAYXMB-SCAQPMJSSA-N 0 1 285.387 2.700 20 30 CFEDMN N#CC1(CNC[C@H](O)Cc2ccc(F)cc2)CCCCC1 ZINC000600755926 350606469 /nfs/dbraw/zinc/60/64/69/350606469.db2.gz QCANHUCUIZEMBI-MRXNPFEDSA-N 0 1 290.382 2.793 20 30 CFEDMN N#Cc1ccc(N2CCN(Cc3ccc(O)cc3)CC2)cc1 ZINC000601257048 350710256 /nfs/dbraw/zinc/71/02/56/350710256.db2.gz LBSAELKFBFHRKM-UHFFFAOYSA-N 0 1 293.370 2.586 20 30 CFEDMN Cc1[nH]n(-c2ccc(C#N)cc2C(F)(F)F)c(=O)c1C ZINC000601948904 350815992 /nfs/dbraw/zinc/81/59/92/350815992.db2.gz NJXJIDDRMYQPFG-ZETCQYMHSA-N 0 1 281.237 2.936 20 30 CFEDMN COc1ccc(-n2[nH]c(C)c(CCC#N)c2=O)cc1Cl ZINC000601948843 350816141 /nfs/dbraw/zinc/81/61/41/350816141.db2.gz MEVWSQIHVYKBKL-LLVKDONJSA-N 0 1 291.738 2.991 20 30 CFEDMN C[C@@H](c1cccc(C#N)c1)N(C)[C@@H]1CCCCN(C)C1=O ZINC000601971915 350821677 /nfs/dbraw/zinc/82/16/77/350821677.db2.gz XFXOSSYOOFZYMD-XJKSGUPXSA-N 0 1 285.391 2.562 20 30 CFEDMN C[C@@H](c1ccc(C#N)cc1)N(C)[C@H]1CCCCN(C)C1=O ZINC000601970839 350821751 /nfs/dbraw/zinc/82/17/51/350821751.db2.gz QNJXAAFTPNTFPK-BBRMVZONSA-N 0 1 285.391 2.562 20 30 CFEDMN N#Cc1ccc(C(=O)Nc2ccnn2CC2CCC2)cc1O ZINC000601882203 350797637 /nfs/dbraw/zinc/79/76/37/350797637.db2.gz BEZSYZGBTXNNHN-UHFFFAOYSA-N 0 1 296.330 2.513 20 30 CFEDMN C[C@H]1CCC2=NN(c3ccc(C#N)cc3)C(=O)[C@@H]2C1 ZINC000601932926 350806010 /nfs/dbraw/zinc/80/60/10/350806010.db2.gz VBPBUPRIBRKFCF-GXFFZTMASA-N 0 1 253.305 2.697 20 30 CFEDMN C[C@H]1CCc2[nH]n(-c3ccc(C#N)cc3)c(=O)c2C1 ZINC000601932926 350806014 /nfs/dbraw/zinc/80/60/14/350806014.db2.gz VBPBUPRIBRKFCF-GXFFZTMASA-N 0 1 253.305 2.697 20 30 CFEDMN N#Cc1c(F)cccc1CN[C@H]1CCCSC1 ZINC000602011580 350830823 /nfs/dbraw/zinc/83/08/23/350830823.db2.gz HXRWHGLQVJGLRX-NSHDSACASA-N 0 1 250.342 2.683 20 30 CFEDMN CC1(C)CC[C@@H](CNCc2cccc(F)c2C#N)O1 ZINC000602018198 350833037 /nfs/dbraw/zinc/83/30/37/350833037.db2.gz WXAJBYGCGPRPDK-LBPRGKRZSA-N 0 1 262.328 2.745 20 30 CFEDMN C[C@H]1C[C@@H](NCc2cccc(F)c2C#N)CS1 ZINC000602019435 350833422 /nfs/dbraw/zinc/83/34/22/350833422.db2.gz HFQRMNLFOOBJAO-GXSJLCMTSA-N 0 1 250.342 2.681 20 30 CFEDMN CC(C)N(Cc1ccc(C#N)cc1)C(=O)[C@@H]1CCCCN1C ZINC000602087627 350839194 /nfs/dbraw/zinc/83/91/94/350839194.db2.gz YSHMMDJEQBFLBT-KRWDZBQOSA-N 0 1 299.418 2.780 20 30 CFEDMN N#CCCN(C(=O)[C@@H]1C[C@H]1c1cnc[nH]1)c1ccc(F)cc1 ZINC000602097048 350840317 /nfs/dbraw/zinc/84/03/17/350840317.db2.gz QNVHEOBOIHUCNA-ZIAGYGMSSA-N 0 1 298.321 2.599 20 30 CFEDMN CCOc1cccc(CNCc2cccc(C#N)n2)c1 ZINC000602514462 350911500 /nfs/dbraw/zinc/91/15/00/350911500.db2.gz NDDGNYDNRUMZSD-UHFFFAOYSA-N 0 1 267.332 2.642 20 30 CFEDMN COc1ccc([C@H](C)NCc2cccc(C#N)n2)cc1 ZINC000602524603 350914129 /nfs/dbraw/zinc/91/41/29/350914129.db2.gz MZFGFYPAHCOXPN-LBPRGKRZSA-N 0 1 267.332 2.813 20 30 CFEDMN C[C@H]1Cc2ccccc2[C@H]1NCc1cccc(C#N)n1 ZINC000602539805 350917770 /nfs/dbraw/zinc/91/77/70/350917770.db2.gz KZVDMQLEZHDNFQ-SJCJKPOMSA-N 0 1 263.344 2.976 20 30 CFEDMN COc1cncc(CN2CCC(CC#N)CC2)c1C ZINC000602596994 350940678 /nfs/dbraw/zinc/94/06/78/350940678.db2.gz PIPYVLQGYFVEJH-UHFFFAOYSA-N 0 1 259.353 2.524 20 30 CFEDMN C[C@H](CCC#N)CNc1cnn(-c2ccncc2)c1 ZINC000602586503 350936381 /nfs/dbraw/zinc/93/63/81/350936381.db2.gz SAKIYRYRGBNNGO-GFCCVEGCSA-N 0 1 255.325 2.619 20 30 CFEDMN C[C@@H](CCC#N)CNc1cnn(-c2ccncc2)c1 ZINC000602586504 350936648 /nfs/dbraw/zinc/93/66/48/350936648.db2.gz SAKIYRYRGBNNGO-LBPRGKRZSA-N 0 1 255.325 2.619 20 30 CFEDMN CC(C)COC1CCN(Cc2cccc(C#N)n2)CC1 ZINC000602449832 350888030 /nfs/dbraw/zinc/88/80/30/350888030.db2.gz RTRYVLJROPZECJ-UHFFFAOYSA-N 0 1 273.380 2.590 20 30 CFEDMN C[C@@H](CCC#N)CN1CCN(C(=O)C2CCCCC2)CC1 ZINC000602453465 350889353 /nfs/dbraw/zinc/88/93/53/350889353.db2.gz YYPIRZGVRXFDFM-HNNXBMFYSA-N 0 1 291.439 2.651 20 30 CFEDMN C[C@@H](CCC#N)CN(C)CC(=O)Nc1cc(F)cc(F)c1 ZINC000602457367 350890006 /nfs/dbraw/zinc/89/00/06/350890006.db2.gz ALZNTRPOUUTTLT-NSHDSACASA-N 0 1 295.333 2.775 20 30 CFEDMN CN(Cc1cccc(C#N)n1)[C@H](CCO)c1ccccc1 ZINC000602473515 350896002 /nfs/dbraw/zinc/89/60/02/350896002.db2.gz UPOAXCSCHSSZMP-QGZVFWFLSA-N 0 1 281.359 2.509 20 30 CFEDMN Cc1ccc(CN[C@H](C)CC2(C#N)CCOCC2)o1 ZINC000602739443 351010080 /nfs/dbraw/zinc/01/00/80/351010080.db2.gz FJEWBQNNRBZRNV-GFCCVEGCSA-N 0 1 262.353 2.777 20 30 CFEDMN N#CC1CCC(NCc2noc(-c3cccs3)n2)CC1 ZINC000602680429 350975863 /nfs/dbraw/zinc/97/58/63/350975863.db2.gz FJALDRACYJNMJC-UHFFFAOYSA-N 0 1 288.376 2.970 20 30 CFEDMN Cc1nc2ccccc2nc1CNCC(C)(C)CC#N ZINC000602689846 350980577 /nfs/dbraw/zinc/98/05/77/350980577.db2.gz FHDMISDWXPNEJT-UHFFFAOYSA-N 0 1 268.364 2.968 20 30 CFEDMN N#Cc1cccc(CN2CCSC[C@H]2C2CCC2)n1 ZINC000602695336 350983423 /nfs/dbraw/zinc/98/34/23/350983423.db2.gz MRNOLJTYLUTFNU-HNNXBMFYSA-N 0 1 273.405 2.671 20 30 CFEDMN N#Cc1cccc(CN2CCSC[C@@H]2C2CCC2)n1 ZINC000602695337 350983982 /nfs/dbraw/zinc/98/39/82/350983982.db2.gz MRNOLJTYLUTFNU-OAHLLOKOSA-N 0 1 273.405 2.671 20 30 CFEDMN CC(C)O[C@H](CN1CC(CC#N)C1)c1ccccc1 ZINC000602710708 350992990 /nfs/dbraw/zinc/99/29/90/350992990.db2.gz XORQYVFRLUJXEV-MRXNPFEDSA-N 0 1 258.365 2.998 20 30 CFEDMN CSC1CCN(Cc2cnc3ccc(C#N)cn23)CC1 ZINC000602726259 351002289 /nfs/dbraw/zinc/00/22/89/351002289.db2.gz PGFOWNLOQPWRJD-UHFFFAOYSA-N 0 1 286.404 2.533 20 30 CFEDMN N#Cc1cccc(CN2CC[C@H](CC(F)(F)F)C2)n1 ZINC000602632370 350954232 /nfs/dbraw/zinc/95/42/32/350954232.db2.gz ILBULDDFGZWMBT-SNVBAGLBSA-N 0 1 269.270 2.728 20 30 CFEDMN N#CCC1(CN2CCN(CCc3ccccc3)CC2)CC1 ZINC000602760392 351015724 /nfs/dbraw/zinc/01/57/24/351015724.db2.gz SBTWDJOMWFRAIK-UHFFFAOYSA-N 0 1 283.419 2.541 20 30 CFEDMN CCN(C#N)CCN(CC)[C@@H](C)c1ccc(C#N)cc1 ZINC000602764339 351016703 /nfs/dbraw/zinc/01/67/03/351016703.db2.gz QLXBMXSDIQEOEP-AWEZNQCLSA-N 0 1 270.380 2.744 20 30 CFEDMN N#CCC1(C[N@H+]2CCC[C@@H](c3nnc4ccccn43)C2)CC1 ZINC000602777587 351021131 /nfs/dbraw/zinc/02/11/31/351021131.db2.gz GVSVSXAQMKMKFD-CQSZACIVSA-N 0 1 295.390 2.603 20 30 CFEDMN Cc1nc(-c2ccccc2)oc1CN1CC[C@@](O)(CC#N)C1 ZINC000602850931 351045017 /nfs/dbraw/zinc/04/50/17/351045017.db2.gz IMNGSBZXMRJDNH-KRWDZBQOSA-N 0 1 297.358 2.501 20 30 CFEDMN C[C@@H](CC#N)NCCc1cc(Cl)c2c(c1)OCCCO2 ZINC000602871173 351053682 /nfs/dbraw/zinc/05/36/82/351053682.db2.gz YSJDVRUWFUTNHV-NSHDSACASA-N 0 1 294.782 2.936 20 30 CFEDMN C[C@@H](CC#N)NC[C@@H](O)Cc1ccc2ccccc2c1 ZINC000602871440 351054099 /nfs/dbraw/zinc/05/40/99/351054099.db2.gz RFLHKQFAVDWUQX-GUYCJALGSA-N 0 1 268.360 2.635 20 30 CFEDMN Cc1ccc(CN2CCC[C@H]2c2cn[nH]c2)cc1C#N ZINC000602889085 351058134 /nfs/dbraw/zinc/05/81/34/351058134.db2.gz WKSZQKAJNLEPTF-INIZCTEOSA-N 0 1 266.348 2.927 20 30 CFEDMN CN1CCN(C(=O)C2(C#N)CCCCC2)C[C@H]1C(C)(C)C ZINC000603144183 351110697 /nfs/dbraw/zinc/11/06/97/351110697.db2.gz XORVPZTYRYBZFH-AWEZNQCLSA-N 0 1 291.439 2.649 20 30 CFEDMN CCn1nc(C)c(CN(C)[C@H]2CC[C@@H](C#N)C2)c1C ZINC000602924561 351067610 /nfs/dbraw/zinc/06/76/10/351067610.db2.gz FOPNZYCRKLBNAM-KGLIPLIRSA-N 0 1 260.385 2.644 20 30 CFEDMN Cc1n[nH]cc1CN(C)Cc1ccc(C#N)c(C)c1 ZINC000602945209 351071044 /nfs/dbraw/zinc/07/10/44/351071044.db2.gz YSEUEMVRLKLDID-UHFFFAOYSA-N 0 1 254.337 2.530 20 30 CFEDMN CC(C)[C@](C)(C#N)NC(=O)[C@@H](C)N1CCC(CCF)CC1 ZINC000602949551 351071887 /nfs/dbraw/zinc/07/18/87/351071887.db2.gz HMWMHPDLDLRSFO-CJNGLKHVSA-N 0 1 297.418 2.501 20 30 CFEDMN CN(CCC(=O)Nc1ccccc1F)[C@@H]1CCC[C@H]1C#N ZINC000602975718 351075551 /nfs/dbraw/zinc/07/55/51/351075551.db2.gz GIXGBKSQASFMBX-SWLSCSKDSA-N 0 1 289.354 2.778 20 30 CFEDMN COc1ccc(CCN(C)[C@H]2CCC[C@@H]2C#N)cc1 ZINC000602975823 351077275 /nfs/dbraw/zinc/07/72/75/351077275.db2.gz HVBAOJNJOMGVAV-ZBFHGGJFSA-N 0 1 258.365 2.862 20 30 CFEDMN CN(CCC(=O)Nc1ccc(F)cc1)[C@H]1CCC[C@@H]1C#N ZINC000602976760 351078208 /nfs/dbraw/zinc/07/82/08/351078208.db2.gz SINMFFUNIADYIQ-DOMZBBRYSA-N 0 1 289.354 2.778 20 30 CFEDMN CCN(CCCN(C)[C@H]1CCC[C@H]1C#N)CC(F)(F)F ZINC000602979461 351081125 /nfs/dbraw/zinc/08/11/25/351081125.db2.gz DPFYXGFHYIFJBT-STQMWFEESA-N 0 1 291.361 2.885 20 30 CFEDMN COC(=O)C12CCC(CC1)N2CCCCC(C)(C)C#N ZINC000602985889 351085861 /nfs/dbraw/zinc/08/58/61/351085861.db2.gz MQARUGKWBDSMLK-UHFFFAOYSA-N 0 1 278.396 2.876 20 30 CFEDMN CC1(C)CCCN(C(=O)c2cc(C(F)F)[nH]n2)[C@@H]1C#N ZINC000603016520 351091052 /nfs/dbraw/zinc/09/10/52/351091052.db2.gz GVEFWOIHKJGCLG-SNVBAGLBSA-N 0 1 282.294 2.502 20 30 CFEDMN Cc1[nH]n(Cc2cccc3cccnc32)c(=O)c1CCC#N ZINC000603921008 351191404 /nfs/dbraw/zinc/19/14/04/351191404.db2.gz KJZXFQLVXZCJTK-OAHLLOKOSA-N 0 1 292.342 2.873 20 30 CFEDMN Cc1[nH]n(-c2cccc3ncccc32)c(=O)c1CCC#N ZINC000603920676 351191445 /nfs/dbraw/zinc/19/14/45/351191445.db2.gz BKHNUEPGIZJPBC-LBPRGKRZSA-N 0 1 278.315 2.877 20 30 CFEDMN C=CCCCN1CCN(C(=O)CC(C)(C)C)CC1 ZINC000605149968 351239154 /nfs/dbraw/zinc/23/91/54/351239154.db2.gz YDUPWXOIUOLXMV-UHFFFAOYSA-N 0 1 252.402 2.533 20 30 CFEDMN CCN(CC(=O)N(CC)CCC#N)Cc1ccc(C)cc1 ZINC000604491858 351214771 /nfs/dbraw/zinc/21/47/71/351214771.db2.gz IYGIFLJBQWZQLB-UHFFFAOYSA-N 0 1 287.407 2.579 20 30 CFEDMN N#Cc1ccc(CN2CCC[C@H](n3ccnc3)C2)c(F)c1 ZINC000609258031 351494023 /nfs/dbraw/zinc/49/40/23/351494023.db2.gz JBPFOWBWJVGEBZ-HNNXBMFYSA-N 0 1 284.338 2.731 20 30 CFEDMN C=CCN1CCC(Nc2ccc([N+](=O)[O-])s2)CC1 ZINC000610277422 351546719 /nfs/dbraw/zinc/54/67/19/351546719.db2.gz GUOCKMCOCMOULY-UHFFFAOYSA-N 0 1 267.354 2.719 20 30 CFEDMN CCCCCNC(=O)[C@H](C)N[C@@H](C)c1cccc(C#N)c1 ZINC000610343553 351557084 /nfs/dbraw/zinc/55/70/84/351557084.db2.gz LBDSRZVFNBNYJU-KBPBESRZSA-N 0 1 287.407 2.904 20 30 CFEDMN N#CC1(NC(=O)CN2C3CCCC2CCC3)CCCCC1 ZINC000610370177 351560878 /nfs/dbraw/zinc/56/08/78/351560878.db2.gz ZZYSDADDIABPTE-UHFFFAOYSA-N 0 1 289.423 2.736 20 30 CFEDMN COCC1(N(C)Cc2ccc(C#N)cc2OC(F)F)CC1 ZINC000611179026 351647508 /nfs/dbraw/zinc/64/75/08/351647508.db2.gz YYNNGJLIJGPJEI-UHFFFAOYSA-N 0 1 296.317 2.770 20 30 CFEDMN COc1ccc(C#N)cc1CN1CC[C@H](C(F)F)C1 ZINC000611180440 351648365 /nfs/dbraw/zinc/64/83/65/351648365.db2.gz XQJCHNHMTHKOTP-NSHDSACASA-N 0 1 266.291 2.654 20 30 CFEDMN COc1cc(C#N)ccc1CN1CCC[C@@H](n2ccnc2)C1 ZINC000611235432 351654253 /nfs/dbraw/zinc/65/42/53/351654253.db2.gz SLUACZXSGUHFSN-MRXNPFEDSA-N 0 1 296.374 2.600 20 30 CFEDMN CC(C)COC1CCN(Cc2ccnc(C#N)c2)CC1 ZINC000610991256 351628831 /nfs/dbraw/zinc/62/88/31/351628831.db2.gz BMIYVAGZYFOQNZ-UHFFFAOYSA-N 0 1 273.380 2.590 20 30 CFEDMN Cc1cc(C#N)ccc1C(=O)Nc1c(O)cccc1F ZINC000610987144 351628978 /nfs/dbraw/zinc/62/89/78/351628978.db2.gz NIXYMPHYOUIDPN-UHFFFAOYSA-N 0 1 270.263 2.964 20 30 CFEDMN CN(CCN(C)c1ccccc1)Cc1ccnc(C#N)c1 ZINC000610992853 351629996 /nfs/dbraw/zinc/62/99/96/351629996.db2.gz NZWHXZQMCIZPPK-UHFFFAOYSA-N 0 1 280.375 2.521 20 30 CFEDMN C[C@H](NCC(=O)N1CCCCCC1)c1cccc(C#N)c1 ZINC000611386240 351678380 /nfs/dbraw/zinc/67/83/80/351678380.db2.gz GVMXDKCRLVVGGJ-AWEZNQCLSA-N 0 1 285.391 2.611 20 30 CFEDMN C[C@H](NCC(=O)NC1CCC(C)CC1)c1cccc(C#N)c1 ZINC000611388178 351678935 /nfs/dbraw/zinc/67/89/35/351678935.db2.gz YDPUTBQGIAOUAX-UUCFBXCCSA-N 0 1 299.418 2.904 20 30 CFEDMN C[C@H](NCC(=O)N[C@H]1CCCC[C@@H]1C)c1cccc(C#N)c1 ZINC000611389240 351679107 /nfs/dbraw/zinc/67/91/07/351679107.db2.gz QVUCVAASWNLTJZ-ZQIUZPCESA-N 0 1 299.418 2.904 20 30 CFEDMN CCc1nc([C@@H](C)N[C@H]2CCCc3cc(C#N)ccc32)n[nH]1 ZINC000611395273 351682128 /nfs/dbraw/zinc/68/21/28/351682128.db2.gz ZVTLAZLSVZMGPS-ABAIWWIYSA-N 0 1 295.390 2.967 20 30 CFEDMN C[C@H]1CCN(CCC(=O)Nc2ccccc2C#N)C[C@H]1F ZINC000611502609 351700569 /nfs/dbraw/zinc/70/05/69/351700569.db2.gz VWARCSSCAIBNLX-GXTWGEPZSA-N 0 1 289.354 2.567 20 30 CFEDMN Cc1ccncc1[C@H](C)NCC(=O)Nc1ccc(C#N)cc1 ZINC000611939997 351753540 /nfs/dbraw/zinc/75/35/40/351753540.db2.gz XTGNFXFIYXRDNE-ZDUSSCGKSA-N 0 1 294.358 2.551 20 30 CFEDMN C#CCOc1ccc([C@@H](C)NCc2c[nH]nc2C)cc1 ZINC000271445942 191142708 /nfs/dbraw/zinc/14/27/08/191142708.db2.gz DZMHJTKNWIYJRB-GFCCVEGCSA-N 0 1 269.348 2.581 20 30 CFEDMN C[C@@H](Nc1nc(C(C)(C)C)ccc1C#N)c1nnc[nH]1 ZINC000613430687 351958452 /nfs/dbraw/zinc/95/84/52/351958452.db2.gz FSKRDWUCWODKSG-SECBINFHSA-N 0 1 270.340 2.542 20 30 CFEDMN C=C(C)CCN1CCN(c2oc(C3CC3)nc2C#N)CC1 ZINC000614170558 352056139 /nfs/dbraw/zinc/05/61/39/352056139.db2.gz DMHIVARBCKEMQU-UHFFFAOYSA-N 0 1 286.379 2.512 20 30 CFEDMN Cc1cc(C#N)ccc1CN1CCC[C@H]1[C@@H](O)C(F)(F)F ZINC000614398196 352089548 /nfs/dbraw/zinc/08/95/48/352089548.db2.gz NUVVAOWQSLEVNL-UONOGXRCSA-N 0 1 298.308 2.754 20 30 CFEDMN CCc1ccccc1CN1CCN([C@@H](C#N)C(C)C)CC1 ZINC000614992010 352139700 /nfs/dbraw/zinc/13/97/00/352139700.db2.gz VZYNIBQYCLCHQG-SFHVURJKSA-N 0 1 285.435 2.915 20 30 CFEDMN C=C(C)C[C@@H](C)C(=O)NCc1ccc2nc[nH]c2c1 ZINC000615792434 352242662 /nfs/dbraw/zinc/24/26/62/352242662.db2.gz NZVLOAFHWDKNCY-LLVKDONJSA-N 0 1 257.337 2.781 20 30 CFEDMN C#CCOc1ccccc1CN[C@H](CC)c1cnn(C)c1 ZINC000271494202 191173271 /nfs/dbraw/zinc/17/32/71/191173271.db2.gz PKKPZHRJZMCDFR-MRXNPFEDSA-N 0 1 283.375 2.673 20 30 CFEDMN C#CC[C@@H](N[C@@H](C)c1cnn(C)c1)c1ccccc1 ZINC000271546042 191203208 /nfs/dbraw/zinc/20/32/08/191203208.db2.gz RKUSLNRPGOLENG-XJKSGUPXSA-N 0 1 253.349 2.835 20 30 CFEDMN C#CCOc1ccccc1CN[C@@H](C)c1cn(C)nc1C ZINC000271546849 191205457 /nfs/dbraw/zinc/20/54/57/191205457.db2.gz ZHHIOVIQGVGCDG-ZDUSSCGKSA-N 0 1 283.375 2.591 20 30 CFEDMN CC[C@]1(NCc2ccc(Cl)cc2C#N)CCOC1 ZINC000616866193 352435938 /nfs/dbraw/zinc/43/59/38/352435938.db2.gz VDBSDTBHYKBLTN-AWEZNQCLSA-N 0 1 264.756 2.870 20 30 CFEDMN C=C[C@H](CC(=O)N(C)Cc1cnc[nH]1)c1ccccc1 ZINC000616926572 352439756 /nfs/dbraw/zinc/43/97/56/352439756.db2.gz IBXZXAZWLBETQO-CYBMUJFWSA-N 0 1 269.348 2.728 20 30 CFEDMN C=C[C@@H](CC(=O)N(C)Cc1cnc[nH]1)c1ccccc1 ZINC000616926573 352440402 /nfs/dbraw/zinc/44/04/02/352440402.db2.gz IBXZXAZWLBETQO-ZDUSSCGKSA-N 0 1 269.348 2.728 20 30 CFEDMN COc1ccc(CNc2ccnc(C)c2Cl)cc1C#N ZINC000616955383 352448556 /nfs/dbraw/zinc/44/85/56/352448556.db2.gz LINFPBWRMLPZTA-UHFFFAOYSA-N 0 1 287.750 2.958 20 30 CFEDMN C=CC[C@H]1CCCC[C@@H]1NC(=O)Cc1cc(C)n[nH]1 ZINC000617040787 352476210 /nfs/dbraw/zinc/47/62/10/352476210.db2.gz YRMJDYXQSWBUHT-JSGCOSHPSA-N 0 1 261.369 2.512 20 30 CFEDMN C=CCN(C(=O)c1cnc(-c2ccccc2)[nH]1)[C@H](C)COC ZINC000617580088 352595282 /nfs/dbraw/zinc/59/52/82/352595282.db2.gz QHHBXHBHVANPTR-CYBMUJFWSA-N 0 1 299.374 2.740 20 30 CFEDMN C=CC[C@H]1CCCN(C(=O)c2cnccc2N(C)C)C1 ZINC000617781318 352643862 /nfs/dbraw/zinc/64/38/62/352643862.db2.gz JYLIEYUCUOZBQO-ZDUSSCGKSA-N 0 1 273.380 2.576 20 30 CFEDMN C=CC[C@H]1CCCN(C(=O)c2c(O)cccc2F)C1 ZINC000617780388 352644114 /nfs/dbraw/zinc/64/41/14/352644114.db2.gz UTDDOUCZIUDQKT-NSHDSACASA-N 0 1 263.312 2.960 20 30 CFEDMN CCCc1cc(C(=O)N2CCCC(C)(C)[C@H]2C#N)n[nH]1 ZINC000618038302 352703169 /nfs/dbraw/zinc/70/31/69/352703169.db2.gz OFXMFXSGRIFPEL-CYBMUJFWSA-N 0 1 274.368 2.517 20 30 CFEDMN N#Cc1cc(CN2CC[C@@H](CC(F)(F)F)C2)ccn1 ZINC000618311002 352751969 /nfs/dbraw/zinc/75/19/69/352751969.db2.gz AOQWKHXXYIEKDD-NSHDSACASA-N 0 1 269.270 2.728 20 30 CFEDMN C=Cn1cc(CN[C@@H]2CCc3cc(C#N)ccc32)cn1 ZINC000618741416 352876240 /nfs/dbraw/zinc/87/62/40/352876240.db2.gz FYFCGJYITISKOD-MRXNPFEDSA-N 0 1 264.332 2.632 20 30 CFEDMN C[C@@H](N[C@@H]1CCc2cc(C#N)ccc21)c1cnccn1 ZINC000618804891 352884234 /nfs/dbraw/zinc/88/42/34/352884234.db2.gz MXJTUNPWCIGHPF-IAQYHMDHSA-N 0 1 264.332 2.686 20 30 CFEDMN Cc1nccnc1[C@@H](C)N[C@H]1CCc2cc(C#N)ccc21 ZINC000618805673 352884291 /nfs/dbraw/zinc/88/42/91/352884291.db2.gz OYJOVZRRLJKHTD-WBMJQRKESA-N 0 1 278.359 2.995 20 30 CFEDMN Cc1ccc(CN(CCO)Cc2ccc(C#N)cc2C)o1 ZINC000619516476 353031643 /nfs/dbraw/zinc/03/16/43/353031643.db2.gz QAMHMYGCHCJOSW-UHFFFAOYSA-N 0 1 284.359 2.763 20 30 CFEDMN N#C[C@H](c1ccc(Cl)cc1)N1CCN(CCCF)CC1 ZINC000619784581 353066403 /nfs/dbraw/zinc/06/64/03/353066403.db2.gz CHFNINSRCHTNER-OAHLLOKOSA-N 0 1 295.789 2.882 20 30 CFEDMN C[C@@H](NCC(=O)NCc1ccc(C#N)cc1)c1ccsc1 ZINC000619783779 353066593 /nfs/dbraw/zinc/06/65/93/353066593.db2.gz YGXLEQVQFSLINS-GFCCVEGCSA-N 0 1 299.399 2.587 20 30 CFEDMN C[C@H]1CC[N@@H+](CCCC2(C#N)CCOCC2)C[C@H]1F ZINC000619621213 353041073 /nfs/dbraw/zinc/04/10/73/353041073.db2.gz NURHMGITUGHBNE-UONOGXRCSA-N 0 1 268.376 2.767 20 30 CFEDMN C=C(C)CN(Cc1cncs1)C1CCN(C(C)=O)CC1 ZINC000292297384 198234559 /nfs/dbraw/zinc/23/45/59/198234559.db2.gz CXMYYPPPHUFLRK-UHFFFAOYSA-N 0 1 293.436 2.532 20 30 CFEDMN CCCCCCNC(=O)CN[C@@H](C)c1ccc(C#N)cc1 ZINC000271671196 191269245 /nfs/dbraw/zinc/26/92/45/191269245.db2.gz NLCPBPTWNOZRRI-AWEZNQCLSA-N 0 1 287.407 2.905 20 30 CFEDMN COCC(C)(C)N(C)Cc1ccc(C#N)cc1F ZINC000292382297 198267192 /nfs/dbraw/zinc/26/71/92/198267192.db2.gz RQSYOPZOVOCTRY-UHFFFAOYSA-N 0 1 250.317 2.554 20 30 CFEDMN C=CCCC(C)(C)NC(=O)c1ccc(CN(C)C)nc1 ZINC000620857306 353241801 /nfs/dbraw/zinc/24/18/01/353241801.db2.gz WQNWFILEJRWSGX-UHFFFAOYSA-N 0 1 275.396 2.618 20 30 CFEDMN CC#CCCN(C)Cc1cc2c(cc1OC(F)F)OCO2 ZINC000155775997 188226750 /nfs/dbraw/zinc/22/67/50/188226750.db2.gz HAZAPBHWXJNXPB-UHFFFAOYSA-N 0 1 297.301 2.862 20 30 CFEDMN C=CCNC(=O)CN[C@H](C)c1ccc(OC(C)(C)C)cc1 ZINC000157396616 188314967 /nfs/dbraw/zinc/31/49/67/188314967.db2.gz XTFFWIWPLGHYQK-CYBMUJFWSA-N 0 1 290.407 2.817 20 30 CFEDMN CC(C)(C)c1[nH]ncc1C(=O)Nc1cccc(C#N)c1 ZINC000292604576 198348382 /nfs/dbraw/zinc/34/83/82/198348382.db2.gz GGXLOYCBQLCAHR-UHFFFAOYSA-N 0 1 268.320 2.831 20 30 CFEDMN C[C@@H]1CCN(CC#Cc2ccc(Cl)cc2)C[C@@H]1CO ZINC000621366313 353339335 /nfs/dbraw/zinc/33/93/35/353339335.db2.gz JJVMMQBMWZCVFA-UKRRQHHQSA-N 0 1 277.795 2.642 20 30 CFEDMN C#CC[C@H](NCC(=O)N1C[C@H](C)C[C@H](C)C1)c1ccccc1 ZINC000271693665 191279479 /nfs/dbraw/zinc/27/94/79/191279479.db2.gz LAYLUHOGNKSMMO-JZXOWHBKSA-N 0 1 298.430 2.845 20 30 CFEDMN C=C(C)CN(Cc1ccc(CO)o1)C[C@@H](OCC)C1CC1 ZINC000625424561 354043608 /nfs/dbraw/zinc/04/36/08/354043608.db2.gz WGASUCCUJWPGEQ-QGZVFWFLSA-N 0 1 293.407 2.965 20 30 CFEDMN C=CC[C@@H]1CC[N@H+](CC(=O)N2CCCC[C@H]2CC)C1 ZINC000625699509 354087999 /nfs/dbraw/zinc/08/79/99/354087999.db2.gz FQCKSZIFEUVITF-HUUCEWRRSA-N 0 1 264.413 2.676 20 30 CFEDMN C=CC[C@@H]1CCN(CC(=O)N[C@@H](C)c2cccs2)C1 ZINC000625701301 354089112 /nfs/dbraw/zinc/08/91/12/354089112.db2.gz ONLHIEKCLMCXAE-QWHCGFSZSA-N 0 1 278.421 2.823 20 30 CFEDMN C=CC[C@H]1CCN(CC(=O)Nc2ccc(F)c(F)c2)C1 ZINC000625702258 354089845 /nfs/dbraw/zinc/08/98/45/354089845.db2.gz WBSRSNUYOLPWMX-NSHDSACASA-N 0 1 280.318 2.801 20 30 CFEDMN C=CC[C@@H]1CC[N@@H+](Cc2nc(=O)c3sccc3[n-]2)C1 ZINC000625705649 354092524 /nfs/dbraw/zinc/09/25/24/354092524.db2.gz WWOZSGYFJDUXJS-SNVBAGLBSA-N 0 1 275.377 2.795 20 30 CFEDMN C#CCN(CC)Cc1cn(C)nc1-c1ccccc1 ZINC000271730255 191295155 /nfs/dbraw/zinc/29/51/55/191295155.db2.gz MZTGOBVJEFJCHU-UHFFFAOYSA-N 0 1 253.349 2.542 20 30 CFEDMN C=CC(C)(C)CCNC(=O)c1cccc2nc[nH]c21 ZINC000628315121 354540745 /nfs/dbraw/zinc/54/07/45/354540745.db2.gz ZPNXCOKAGOLWOA-UHFFFAOYSA-N 0 1 257.337 2.895 20 30 CFEDMN C=CC[C@@H]1CCN(Cc2cn3cccc(F)c3n2)C1 ZINC000628405143 354579423 /nfs/dbraw/zinc/57/94/23/354579423.db2.gz FAFCBLQPBXRMNL-GFCCVEGCSA-N 0 1 259.328 2.871 20 30 CFEDMN C=CC[C@H]1CCN(C(=O)c2cc3[nH]cnc3cc2F)C1 ZINC000628491863 354607167 /nfs/dbraw/zinc/60/71/67/354607167.db2.gz JKRJAOHXWFWLAQ-JTQLQIEISA-N 0 1 273.311 2.740 20 30 CFEDMN C=CC[C@H]1CC[N@H+](CCOc2ccccc2C(=O)[O-])C1 ZINC000629366711 354789310 /nfs/dbraw/zinc/78/93/10/354789310.db2.gz STQXOJAZDLPISM-ZDUSSCGKSA-N 0 1 275.348 2.662 20 30 CFEDMN C=CCOc1ccc(C[N@H+]2CC[C@@H](C(=O)[O-])[C@@H](C)C2)cc1 ZINC000629772852 354927722 /nfs/dbraw/zinc/92/77/22/354927722.db2.gz YEVMIIKYVLEUBK-XJKSGUPXSA-N 0 1 289.375 2.794 20 30 CFEDMN C=CCOc1cccc(C[N@H+]2CC[C@@H](C(=O)[O-])[C@H](C)C2)c1 ZINC000629772554 354927784 /nfs/dbraw/zinc/92/77/84/354927784.db2.gz RXQBMOGOPNMFJY-CZUORRHYSA-N 0 1 289.375 2.794 20 30 CFEDMN C=CCOc1ccccc1C[N@H+]1CC[C@H](C(=O)[O-])[C@@H](C)C1 ZINC000629772848 354928011 /nfs/dbraw/zinc/92/80/11/354928011.db2.gz YEKZPKCPAZAFQU-ZFWWWQNUSA-N 0 1 289.375 2.794 20 30 CFEDMN C=CCN(C(=O)c1cc(-c2ccccc2O)[nH]n1)C1CC1 ZINC000629978470 354972907 /nfs/dbraw/zinc/97/29/07/354972907.db2.gz NIAPGBZTPYPXNK-UHFFFAOYSA-N 0 1 283.331 2.573 20 30 CFEDMN N#Cc1c(Cl)nsc1N[C@@H]1CCCc2cn[nH]c21 ZINC000271426330 283074645 /nfs/dbraw/zinc/07/46/45/283074645.db2.gz VYCWSSIUUYDCAJ-MRVPVSSYSA-N 0 1 279.756 2.881 20 30 CFEDMN C=C1CC(C)(C(=O)NC[C@H](c2cccc(F)c2)N(C)C)C1 ZINC000630577316 355116117 /nfs/dbraw/zinc/11/61/17/355116117.db2.gz XAMFCSNNOWTCGX-OAHLLOKOSA-N 0 1 290.382 2.901 20 30 CFEDMN Cc1n[nH]cc1CN[C@H](C)c1ccc(C#N)c(F)c1 ZINC000271967768 191437131 /nfs/dbraw/zinc/43/71/31/191437131.db2.gz SYTHMJOOCBRSEQ-SECBINFHSA-N 0 1 258.300 2.580 20 30 CFEDMN C[C@@H](N[C@@H]1c2ccccc2C[C@@H]1O)c1cccc(C#N)c1 ZINC000271900501 191399282 /nfs/dbraw/zinc/39/92/82/191399282.db2.gz VJYLLERWYYPSRU-OCBCSQNSSA-N 0 1 278.355 2.867 20 30 CFEDMN C=CCOc1cccc(CN[C@@H](C)[C@@H](O)C(F)(F)F)c1 ZINC000631232722 355364394 /nfs/dbraw/zinc/36/43/94/355364394.db2.gz UOGGAHAFAIHOGC-GXFFZTMASA-N 0 1 289.297 2.653 20 30 CFEDMN CC1(C)Oc2ccsc2[C@@H](N[C@H]2CC[C@H](C#N)C2)[C@@H]1O ZINC000333827240 540145010 /nfs/dbraw/zinc/14/50/10/540145010.db2.gz KIBFBTMBMOLKGL-XVMOGABASA-N 0 1 292.404 2.603 20 30 CFEDMN C=C1CC(C)(C(=O)N(C)CCCN(C)Cc2ccco2)C1 ZINC000633057146 355795879 /nfs/dbraw/zinc/79/58/79/355795879.db2.gz AKNBPGPCIXCCOM-UHFFFAOYSA-N 0 1 290.407 2.916 20 30 CFEDMN N#Cc1ccc(CN2CCC[C@@H](O)CC2)c(C(F)(F)F)c1 ZINC000335896904 283140296 /nfs/dbraw/zinc/14/02/96/283140296.db2.gz VTDXFQRENLJPAA-CYBMUJFWSA-N 0 1 298.308 2.924 20 30 CFEDMN N#Cc1ccc(CN2CC[C@@]3(C2)OCc2ccccc23)o1 ZINC000186449344 283142518 /nfs/dbraw/zinc/14/25/18/283142518.db2.gz LEWZQVFQQPASPR-KRWDZBQOSA-N 0 1 280.327 2.783 20 30 CFEDMN CCCN(CCN1CCCC1)C(=O)c1cc(C#N)cs1 ZINC000287179730 283240741 /nfs/dbraw/zinc/24/07/41/283240741.db2.gz HHFFTHJLHMLUMX-UHFFFAOYSA-N 0 1 291.420 2.568 20 30 CFEDMN C#CCOc1ccc([C@@H](C)NCc2cnccc2OC)cc1 ZINC000294026083 198875767 /nfs/dbraw/zinc/87/57/67/198875767.db2.gz FFKRZSAUMYZKSC-CQSZACIVSA-N 0 1 296.370 2.953 20 30 CFEDMN CC(C)Cc1nsc(NCC2CCC(C#N)CC2)n1 ZINC000574024616 334985544 /nfs/dbraw/zinc/98/55/44/334985544.db2.gz SJVSFQABYXGUEC-UHFFFAOYSA-N 0 1 278.425 2.900 20 30 CFEDMN C=CC(C)(C)C(=O)NC[C@@H](c1cccc(OC)c1)N(C)C ZINC000294456817 199047749 /nfs/dbraw/zinc/04/77/49/199047749.db2.gz PGSZDBUXRFFGHJ-HNNXBMFYSA-N 0 1 290.407 2.626 20 30 CFEDMN C=CC[C@H](C)[C@@H](C)NCc1ncn(-c2ccccc2)n1 ZINC000294532576 199075848 /nfs/dbraw/zinc/07/58/48/199075848.db2.gz ADPPDWNMJADADJ-UONOGXRCSA-N 0 1 270.380 2.958 20 30 CFEDMN CC#CCN(C)C(=O)c1c(O)cc(Cl)cc1Cl ZINC000294647399 199121118 /nfs/dbraw/zinc/12/11/18/199121118.db2.gz TVIGJPULWKWTJY-UHFFFAOYSA-N 0 1 272.131 2.794 20 30 CFEDMN CC[C@H](C)N1CCN(C(=O)/C=C/c2ccccc2C#N)CC1 ZINC000297065898 200076298 /nfs/dbraw/zinc/07/62/98/200076298.db2.gz VBAICORTKSMPST-HVHJFMEUSA-N 0 1 297.402 2.514 20 30 CFEDMN C[C@H]1CN(CCCNc2cccc(F)c2C#N)C[C@H](C)O1 ZINC000298087109 200330890 /nfs/dbraw/zinc/33/08/90/200330890.db2.gz JEHPGXWCBMHKMQ-STQMWFEESA-N 0 1 291.370 2.609 20 30 CFEDMN C=CCC(CC=C)C(=O)NCCN1CCc2ccccc2C1 ZINC000176932015 189015005 /nfs/dbraw/zinc/01/50/05/189015005.db2.gz PRYSTLJBMLMYOC-UHFFFAOYSA-N 0 1 298.430 2.929 20 30 CFEDMN C=CCc1cc(CN2CCCO[C@H](C)C2)cc(OC)c1O ZINC000179396592 189191019 /nfs/dbraw/zinc/19/10/19/189191019.db2.gz GSDZPAPNFJIIMF-CYBMUJFWSA-N 0 1 291.391 2.740 20 30 CFEDMN C=CCOc1cccc(C[N@@H+]2CCC[C@H](C(=O)[O-])C2)c1 ZINC000066115125 540903439 /nfs/dbraw/zinc/90/34/39/540903439.db2.gz GJDLGLCNBJPMDP-AWEZNQCLSA-N 0 1 275.348 2.548 20 30 CFEDMN C=C(C)CN(CC)C(=O)CNC1(c2cccc(F)c2)CC1 ZINC000179689770 189213946 /nfs/dbraw/zinc/21/39/46/189213946.db2.gz DNOFHVREZULQAW-UHFFFAOYSA-N 0 1 290.382 2.829 20 30 CFEDMN C=CCNC(=O)CN[C@@H](CC)c1ccccc1OC(F)F ZINC000179717977 189215593 /nfs/dbraw/zinc/21/55/93/189215593.db2.gz LYNTZDISSUABLF-LBPRGKRZSA-N 0 1 298.333 2.631 20 30 CFEDMN C=CCNC(=O)CN[C@H](CC)c1ccc(Cl)s1 ZINC000180030118 189233426 /nfs/dbraw/zinc/23/34/26/189233426.db2.gz IUNPJGSYXDASNM-SECBINFHSA-N 0 1 272.801 2.744 20 30 CFEDMN N#Cc1cccc(CN2CCC3(CCCC3=O)CC2)c1 ZINC000661952669 541031049 /nfs/dbraw/zinc/03/10/49/541031049.db2.gz YTRVFCDWVBQRPH-UHFFFAOYSA-N 0 1 268.360 2.893 20 30 CFEDMN C=CC[N@@H+](CCCCC(=O)[O-])CCc1ccccc1 ZINC000181550082 189300374 /nfs/dbraw/zinc/30/03/74/189300374.db2.gz RZAWEDGUCDVSKN-UHFFFAOYSA-N 0 1 261.365 2.972 20 30 CFEDMN C[C@H]1CCCN(CCNc2c(F)cc(C#N)cc2F)C1 ZINC000301543553 201058647 /nfs/dbraw/zinc/05/86/47/201058647.db2.gz SQQTYRGHDZWUCM-NSHDSACASA-N 0 1 279.334 2.980 20 30 CFEDMN C[C@@H]1CCCN(CCNc2c(F)cc(C#N)cc2F)C1 ZINC000301543552 201058842 /nfs/dbraw/zinc/05/88/42/201058842.db2.gz SQQTYRGHDZWUCM-LLVKDONJSA-N 0 1 279.334 2.980 20 30 CFEDMN COc1ccccc1[C@H](CNc1ccc(C#N)nc1)N(C)C ZINC000301579055 201080440 /nfs/dbraw/zinc/08/04/40/201080440.db2.gz NCRKCMBUMSJBCR-INIZCTEOSA-N 0 1 296.374 2.677 20 30 CFEDMN N#Cc1ccc(CN(Cc2ccccc2)[C@H](CO)C2CC2)o1 ZINC000184789684 189395826 /nfs/dbraw/zinc/39/58/26/189395826.db2.gz JEKSVSCFSZTIJX-GOSISDBHSA-N 0 1 296.370 2.924 20 30 CFEDMN Cc1cccc2nc(CNc3ccc(C#N)cn3)[nH]c21 ZINC000301883693 201247195 /nfs/dbraw/zinc/24/71/95/201247195.db2.gz LFJKPBWIHXBSBS-UHFFFAOYSA-N 0 1 263.304 2.750 20 30 CFEDMN N#Cc1nc(-c2cnccc2Cl)cc2[nH]cnc21 ZINC001243045194 781948431 /nfs/dbraw/zinc/94/84/31/781948431.db2.gz XMJPEUKWMJOEOV-UHFFFAOYSA-N 0 1 255.668 2.545 20 30 CFEDMN CN(C)Cc1ccc(CNc2ncccc2C#N)cc1F ZINC000301861953 201237641 /nfs/dbraw/zinc/23/76/41/201237641.db2.gz GCYKGVVZOQZIPG-UHFFFAOYSA-N 0 1 284.338 2.766 20 30 CFEDMN Cc1[nH+]ccn1CC[N@@H+](C)[C@@H](C)c1cccc(C#N)c1 ZINC000425538962 239095206 /nfs/dbraw/zinc/09/52/06/239095206.db2.gz SXVGORYXAQSKEN-ZDUSSCGKSA-N 0 1 268.364 2.756 20 30 CFEDMN C=C[C@@H]1OCCC[C@H]1NCc1ccc(F)cc1C#N ZINC000451677638 383681295 /nfs/dbraw/zinc/68/12/95/383681295.db2.gz VFCINZHAQUTHIP-CABCVRRESA-N 0 1 260.312 2.521 20 30 CFEDMN C#Cc1ccc(NC(=O)N2CCN(C)C[C@@H]2CC(C)C)cc1 ZINC000934919240 649851880 /nfs/dbraw/zinc/85/18/80/649851880.db2.gz VXNVSLLUOGHQAM-KRWDZBQOSA-N 0 1 299.418 2.862 20 30 CFEDMN CC(=Cc1ccc(F)c(C#N)c1)c1nc(C)c(C#N)c(=O)[nH]1 ZINC000435340506 240302630 /nfs/dbraw/zinc/30/26/30/240302630.db2.gz IXLMMMYRFGLAAQ-WEVVVXLNSA-N 0 1 294.289 2.521 20 30 CFEDMN COc1ccsc1C=C(C)c1nc(C)c(C#N)c(=O)[nH]1 ZINC000435336519 240303525 /nfs/dbraw/zinc/30/35/25/240303525.db2.gz PGHBFADGQCVGEB-VURMDHGXSA-N 0 1 287.344 2.581 20 30 CFEDMN CC(=Cc1ccc(C#N)c(C)c1)c1nc(C)c(C#N)c(=O)[nH]1 ZINC000435340779 240304065 /nfs/dbraw/zinc/30/40/65/240304065.db2.gz NBDXKYQWQUTBGK-XFFZJAGNSA-N 0 1 290.326 2.691 20 30 CFEDMN CC(=CC=Cc1ccncc1)c1nc(C)c(C#N)c(=O)[nH]1 ZINC000435340976 240304218 /nfs/dbraw/zinc/30/42/18/240304218.db2.gz QEPHBZLFRIPJEN-QULOGMOTSA-N 0 1 278.315 2.874 20 30 CFEDMN C=CCC[C@H](O)CN1CCC[C@H]1c1nc2c([nH]1)CCCC2 ZINC000275517539 193064849 /nfs/dbraw/zinc/06/48/49/193064849.db2.gz BGUCFUFQMFMSOS-BBRMVZONSA-N 0 1 289.423 2.753 20 30 CFEDMN C=C[C@](C)(CCOC)C(=O)Nc1ccc2nc[nH]c2c1 ZINC000275843090 193144963 /nfs/dbraw/zinc/14/49/63/193144963.db2.gz VDCXYZNOOOCDCI-OAHLLOKOSA-N 0 1 273.336 2.730 20 30 CFEDMN C[C@@H](O)[C@H]1C[C@H](C)CCN1Cc1cc(C#N)ccc1F ZINC000443350074 241054014 /nfs/dbraw/zinc/05/40/14/241054014.db2.gz ZMNIUIWXJVQLFE-XHBSWPGZSA-N 0 1 276.355 2.679 20 30 CFEDMN C=CC1CCN(C(=O)Nc2cnn(-c3ccncc3)c2)CC1 ZINC000673861492 541519036 /nfs/dbraw/zinc/51/90/36/541519036.db2.gz VTBLWIVTTJIGED-UHFFFAOYSA-N 0 1 297.362 2.697 20 30 CFEDMN C[C@@H]1C[C@H]1CN1CCN(c2ccc(C#N)cc2Cl)CC1 ZINC000446915863 241339232 /nfs/dbraw/zinc/33/92/32/241339232.db2.gz HFPGVSRVVMKCND-OCCSQVGLSA-N 0 1 289.810 2.990 20 30 CFEDMN CN(Cc1ccccc1C#N)[C@H](CO)CC(C)(C)C ZINC000449582397 242049095 /nfs/dbraw/zinc/04/90/95/242049095.db2.gz FZGWZHBCDSIBEN-HNNXBMFYSA-N 0 1 260.381 2.787 20 30 CFEDMN CO[C@H]1C[C@@H](N(C)Cc2ccc(C#N)o2)C12CCC2 ZINC000449628010 242075038 /nfs/dbraw/zinc/07/50/38/242075038.db2.gz BKDBUCPVNHXXOQ-KGLIPLIRSA-N 0 1 260.337 2.541 20 30 CFEDMN Cc1cc(CN2CC[C@H]([C@@H](O)C(F)(F)F)C2)ccc1C#N ZINC000449673943 242099138 /nfs/dbraw/zinc/09/91/38/242099138.db2.gz RFFPNKCVUWXOEH-UONOGXRCSA-N 0 1 298.308 2.612 20 30 CFEDMN CC(C)C(N)=NOCc1ccc(SC(=O)N(C)C)cc1 ZINC000128566983 260819586 /nfs/dbraw/zinc/81/95/86/260819586.db2.gz PUBLUHRBKXWKRN-UHFFFAOYSA-N 0 1 295.408 2.905 20 30 CFEDMN CC(C)c1nc(CNc2nc3c(cc2C#N)CCCC3)n[nH]1 ZINC000450622290 242509476 /nfs/dbraw/zinc/50/94/76/242509476.db2.gz IMSMJUKYXATHQA-UHFFFAOYSA-N 0 1 296.378 2.686 20 30 CFEDMN C=CCCN(C)C(=O)NC[C@@H](c1ccc(F)cc1)N(C)C ZINC000276006314 193186285 /nfs/dbraw/zinc/18/62/85/193186285.db2.gz AASSGHTYMIFSLV-HNNXBMFYSA-N 0 1 293.386 2.646 20 30 CFEDMN C=CCCCN(C)Cc1cnnn1-c1ccccc1 ZINC000676181033 541732014 /nfs/dbraw/zinc/73/20/14/541732014.db2.gz HSXQSKRMVMWKIV-UHFFFAOYSA-N 0 1 256.353 2.665 20 30 CFEDMN C=CCCN(C)CC(=O)NCCC1=CCCCC1 ZINC000276076313 193206055 /nfs/dbraw/zinc/20/60/55/193206055.db2.gz AMHQSTWRBXFBAG-UHFFFAOYSA-N 0 1 250.386 2.501 20 30 CFEDMN Oc1ccc2c(c1)CCN(CC#Cc1ccc(F)cc1)CC2 ZINC000676681988 541776999 /nfs/dbraw/zinc/77/69/99/541776999.db2.gz DPFYXRUZTPQFNV-UHFFFAOYSA-N 0 1 295.357 2.984 20 30 CFEDMN CCC[C@@H](C(=O)Nc1cc(C)cc(C#N)c1)N(C)C ZINC000456971808 244339914 /nfs/dbraw/zinc/33/99/14/244339914.db2.gz UJNPXYYMDNZJPO-AWEZNQCLSA-N 0 1 259.353 2.536 20 30 CFEDMN CC(C)C(=O)N[C@@H]1CCCN([C@H](C)c2ccc(C#N)cc2)C1 ZINC000330824099 203281077 /nfs/dbraw/zinc/28/10/77/203281077.db2.gz OAFQGOFCIKSNGI-RHSMWYFYSA-N 0 1 299.418 2.856 20 30 CFEDMN C=CCCN(C)[C@@H](C)c1nc2ccccc2c(=O)[nH]1 ZINC000276506957 193360888 /nfs/dbraw/zinc/36/08/88/193360888.db2.gz XAKQNABIUMTIHG-NSHDSACASA-N 0 1 257.337 2.904 20 30 CFEDMN C[C@@H](C1CC1)N(CC(=O)Nc1sccc1C#N)C1CC1 ZINC000031654435 372414341 /nfs/dbraw/zinc/41/43/41/372414341.db2.gz KMNMHVCFQPUBPD-JTQLQIEISA-N 0 1 289.404 2.821 20 30 CFEDMN C[C@H](NCc1cccc(C(N)=O)c1)c1ccc(C#N)cc1 ZINC000036902857 372607858 /nfs/dbraw/zinc/60/78/58/372607858.db2.gz OOJLMJBYIPUBFT-LBPRGKRZSA-N 0 1 279.343 2.508 20 30 CFEDMN C[C@H](NCC(=O)Nc1ccccc1)c1ccc(C#N)cc1 ZINC000037749599 372698107 /nfs/dbraw/zinc/69/81/07/372698107.db2.gz VVCNDNCWZUBUOG-ZDUSSCGKSA-N 0 1 279.343 2.848 20 30 CFEDMN C[C@H](N[C@@H](C)c1ccc(C#N)cc1)C(=O)N1CCCCC1 ZINC000037749551 372698341 /nfs/dbraw/zinc/69/83/41/372698341.db2.gz DHWPPFUKVWXUCS-KBPBESRZSA-N 0 1 285.391 2.610 20 30 CFEDMN CCC(C#N)(CC)C(=O)Nc1cc(C(C)=O)ccc1O ZINC000528973009 383684314 /nfs/dbraw/zinc/68/43/14/383684314.db2.gz HXWDYDSBACDQCU-UHFFFAOYSA-N 0 1 274.320 2.863 20 30 CFEDMN N#Cc1ccc(F)cc1CN1CC[C@@H]2C[C@H](O)CC[C@@H]2C1 ZINC000451691437 383684398 /nfs/dbraw/zinc/68/43/98/383684398.db2.gz BYFPYTYGKNOKTB-SUYBPPKGSA-N 0 1 288.366 2.680 20 30 CFEDMN Cc1csc(C(C#N)C(=O)c2ccc([N+](=O)[O-])cc2)n1 ZINC000041520411 372845293 /nfs/dbraw/zinc/84/52/93/372845293.db2.gz DWBZWZGCDFIOIO-NSHDSACASA-N 0 1 287.300 2.850 20 30 CFEDMN Cc1csc([C@@H](C#N)C(=O)c2ccc([N+](=O)[O-])cc2)n1 ZINC000041520411 372845298 /nfs/dbraw/zinc/84/52/98/372845298.db2.gz DWBZWZGCDFIOIO-NSHDSACASA-N 0 1 287.300 2.850 20 30 CFEDMN CC(=O)Nc1ccc(C(=O)C(C#N)c2nc(C)cs2)cc1 ZINC000041520323 372845743 /nfs/dbraw/zinc/84/57/43/372845743.db2.gz RBGUSINHMRYYOT-ZDUSSCGKSA-N 0 1 299.355 2.900 20 30 CFEDMN CC(=O)Nc1ccc(C(=O)[C@H](C#N)c2nc(C)cs2)cc1 ZINC000041520323 372845753 /nfs/dbraw/zinc/84/57/53/372845753.db2.gz RBGUSINHMRYYOT-ZDUSSCGKSA-N 0 1 299.355 2.900 20 30 CFEDMN Cc1ccc(C(=O)C(C#N)c2nc3ccccc3[nH]2)o1 ZINC000046706244 373061062 /nfs/dbraw/zinc/06/10/62/373061062.db2.gz ZXSPVBZIRXMVCD-JTQLQIEISA-N 0 1 265.272 2.954 20 30 CFEDMN CC[C@H]1CO[C@H](C)CN1CCCOc1cccc(C#N)c1 ZINC000048915004 373231500 /nfs/dbraw/zinc/23/15/00/373231500.db2.gz ZFPOQOLMOKZSTN-ZBFHGGJFSA-N 0 1 288.391 2.826 20 30 CFEDMN CC(C)CN(C)CC(=O)Nc1ccc(C#N)c(Cl)c1 ZINC000049442710 373296600 /nfs/dbraw/zinc/29/66/00/373296600.db2.gz UNBJZVIBORNLQN-UHFFFAOYSA-N 0 1 279.771 2.738 20 30 CFEDMN C#CCN1CCC(C(=O)Nc2nc3ccccc3s2)CC1 ZINC000050026500 373341713 /nfs/dbraw/zinc/34/17/13/373341713.db2.gz ZAPMHJHXGDDSFU-UHFFFAOYSA-N 0 1 299.399 2.580 20 30 CFEDMN C=C(C)CN(CC)C(=O)[C@@H](C)N(C)CCc1ccccc1 ZINC000051999892 373428951 /nfs/dbraw/zinc/42/89/51/373428951.db2.gz NNRGRGAEKZKORI-MRXNPFEDSA-N 0 1 288.435 2.974 20 30 CFEDMN Cc1cccc(N(CCC#N)C(=O)CN2CCCC2)c1C ZINC000051126470 373387948 /nfs/dbraw/zinc/38/79/48/373387948.db2.gz SVYSPQZVZRUZEU-UHFFFAOYSA-N 0 1 285.391 2.646 20 30 CFEDMN Cc1cc2c[nH]nc2c(C(=O)N(CCC#N)CC2CC2)c1 ZINC000264024709 383691529 /nfs/dbraw/zinc/69/15/29/383691529.db2.gz IGSOLUBBNPBYGX-UHFFFAOYSA-N 0 1 282.347 2.637 20 30 CFEDMN COc1cc(CN[C@H](C)c2ccc(C#N)cc2)ccn1 ZINC000062057823 373744486 /nfs/dbraw/zinc/74/44/86/373744486.db2.gz OGXICNQHSROBNM-GFCCVEGCSA-N 0 1 267.332 2.813 20 30 CFEDMN COc1cc(CN[C@H](C)c2cccc(C#N)c2)ccn1 ZINC000062058129 373745188 /nfs/dbraw/zinc/74/51/88/373745188.db2.gz JZGNKFTWHJDEIV-GFCCVEGCSA-N 0 1 267.332 2.813 20 30 CFEDMN Cc1cccc2c1OC[C@@H](NCc1ccc(C#N)o1)C2 ZINC000289523283 197389208 /nfs/dbraw/zinc/38/92/08/197389208.db2.gz IUMWGUBHIRQMNR-ZDUSSCGKSA-N 0 1 268.316 2.553 20 30 CFEDMN CCN(CC#N)[C@H]1CC[N@H+]([C@@H](C)c2ccccc2)C1 ZINC000068957289 374043148 /nfs/dbraw/zinc/04/31/48/374043148.db2.gz CFYMMBUGQHJJTP-HOCLYGCPSA-N 0 1 257.381 2.667 20 30 CFEDMN C[C@@H](C1CC1)N(C)CC(=O)Nc1cc(Cl)ccc1C#N ZINC000073778977 374383060 /nfs/dbraw/zinc/38/30/60/374383060.db2.gz FWTICOGONGTXAW-JTQLQIEISA-N 0 1 291.782 2.880 20 30 CFEDMN CN(Cc1ccco1)Cc1ccc(OCC#N)cc1 ZINC000264183785 383704470 /nfs/dbraw/zinc/70/44/70/383704470.db2.gz ZNIYGMOHXVOBND-UHFFFAOYSA-N 0 1 256.305 2.814 20 30 CFEDMN CN(Cc1ccc(F)cc1C#N)[C@@H](CO)CC(C)(C)C ZINC000451783195 383705806 /nfs/dbraw/zinc/70/58/06/383705806.db2.gz RQUCQKYWPSRCOA-OAHLLOKOSA-N 0 1 278.371 2.926 20 30 CFEDMN Cc1[nH]nc2cc(NC(=O)c3ccc(C#N)c(C)n3)ccc12 ZINC000091825132 375064582 /nfs/dbraw/zinc/06/45/82/375064582.db2.gz RZPHLGMAYNCRKG-UHFFFAOYSA-N 0 1 291.314 2.699 20 30 CFEDMN C=CCN(Cc1cnc[nH]1)Cc1cccc([N+](=O)[O-])c1 ZINC000092646281 375133046 /nfs/dbraw/zinc/13/30/46/375133046.db2.gz CMHJADLFXWCOOL-UHFFFAOYSA-N 0 1 272.308 2.506 20 30 CFEDMN N#Cc1ccc(CN2CC[C@@H](Nc3ccccc3)C2)o1 ZINC000092757870 375149911 /nfs/dbraw/zinc/14/99/11/375149911.db2.gz DUQANJQMADDDJA-CQSZACIVSA-N 0 1 267.332 2.838 20 30 CFEDMN C=CCNC(=O)[C@@H](C)N1CC=C(c2cccc(C)c2)CC1 ZINC000092822242 375160280 /nfs/dbraw/zinc/16/02/80/375160280.db2.gz UFNZSEXVWJZOGN-OAHLLOKOSA-N 0 1 284.403 2.775 20 30 CFEDMN CN(Cc1nc(-c2cccnc2)no1)CC(C)(C)CCC#N ZINC000093382930 375226585 /nfs/dbraw/zinc/22/65/85/375226585.db2.gz ILZYFJHGQLZAHG-UHFFFAOYSA-N 0 1 299.378 2.893 20 30 CFEDMN C#CCNC(=O)[C@@H](C)NC(c1ccccc1)c1ccccc1 ZINC000097056504 375505745 /nfs/dbraw/zinc/50/57/45/375505745.db2.gz GDYSQBVJDIPSAZ-OAHLLOKOSA-N 0 1 292.382 2.504 20 30 CFEDMN CC#CCSc1nc(-c2ccc(OC)cc2OC)n[nH]1 ZINC000097599506 375571803 /nfs/dbraw/zinc/57/18/03/375571803.db2.gz FBPPBYSWIHIWIS-UHFFFAOYSA-N 0 1 289.360 2.604 20 30 CFEDMN C=C(C)CN(CC)[C@@H](C)C(=O)Nc1ccc(Cl)cn1 ZINC000102681318 375687221 /nfs/dbraw/zinc/68/72/21/375687221.db2.gz QQDMRHRXVWWHMU-NSHDSACASA-N 0 1 281.787 2.960 20 30 CFEDMN C#CCN1CCC(C(=O)N2CCCc3ccc(C)cc32)CC1 ZINC000110392831 375828668 /nfs/dbraw/zinc/82/86/68/375828668.db2.gz UGKXDXXBEPFDLU-UHFFFAOYSA-N 0 1 296.414 2.619 20 30 CFEDMN C=C(C)[C@H](CO)N[C@H](CC)c1cc(F)ccc1F ZINC000678784273 542069424 /nfs/dbraw/zinc/06/94/24/542069424.db2.gz ZTEZHPZSDBNXQJ-KGLIPLIRSA-N 0 1 255.308 2.943 20 30 CFEDMN C[C@H](NCC(=O)Nc1cccc(F)c1)c1ccc(C#N)cc1 ZINC000119327213 376394881 /nfs/dbraw/zinc/39/48/81/376394881.db2.gz UELWAJQIZHTWBF-LBPRGKRZSA-N 0 1 297.333 2.987 20 30 CFEDMN C=CCN(C)C(=O)c1cccc(C(F)(F)F)c1O ZINC000574648582 335037045 /nfs/dbraw/zinc/03/70/45/335037045.db2.gz PRCMBVQCPYAWJC-UHFFFAOYSA-N 0 1 259.227 2.669 20 30 CFEDMN C#CCCCCC(=O)N1CCN(C)CC12CCCCC2 ZINC000120231309 376575388 /nfs/dbraw/zinc/57/53/88/376575388.db2.gz REZFBOSERMNMMI-UHFFFAOYSA-N 0 1 276.424 2.657 20 30 CFEDMN C=CCN1CCC[C@@H]1c1n[nH]c(-c2ccccc2)n1 ZINC000120268653 376583115 /nfs/dbraw/zinc/58/31/15/376583115.db2.gz QXEOFKXRYJNJGB-CYBMUJFWSA-N 0 1 254.337 2.795 20 30 CFEDMN C#CCN1CCC(c2nc(-c3ccc(C)c(F)c3)no2)CC1 ZINC000264645367 190125375 /nfs/dbraw/zinc/12/53/75/190125375.db2.gz RHKNXBHWXVPJIF-UHFFFAOYSA-N 0 1 299.349 2.997 20 30 CFEDMN CC(C)(C)OC(=O)[C@@H]1CCCCN1CCCCC#N ZINC000121378810 376818854 /nfs/dbraw/zinc/81/88/54/376818854.db2.gz GCCLEBIUIZSIKM-ZDUSSCGKSA-N 0 1 266.385 2.876 20 30 CFEDMN COc1cc(C#N)ccc1C[N@@H+](C)[C@@H]1CCSC1 ZINC000121597012 376865995 /nfs/dbraw/zinc/86/59/95/376865995.db2.gz ZOKVRVPHVNVEIR-CYBMUJFWSA-N 0 1 262.378 2.504 20 30 CFEDMN CC[C@@H](C#N)Sc1nc(-c2ccc(OC)cc2)n[nH]1 ZINC000127212476 377269195 /nfs/dbraw/zinc/26/91/95/377269195.db2.gz DQBVBFVPMFDIET-NSHDSACASA-N 0 1 274.349 2.875 20 30 CFEDMN C[C@@H]1CN(CCCC(C)(C)C#N)CCN1CC(F)(F)F ZINC000128289013 377329718 /nfs/dbraw/zinc/32/97/18/377329718.db2.gz RJOLWIHJRDNWIL-GFCCVEGCSA-N 0 1 291.361 2.885 20 30 CFEDMN C=CC[C@H](C)NC(=O)NCc1nc2cccc(C)c2[nH]1 ZINC000128569757 377346048 /nfs/dbraw/zinc/34/60/48/377346048.db2.gz FGIZEPLDSCSJGH-NSHDSACASA-N 0 1 272.352 2.635 20 30 CFEDMN CCc1nc(CSc2nc3c(cc2C#N)CCCC3)n[nH]1 ZINC000130299467 377534533 /nfs/dbraw/zinc/53/45/33/377534533.db2.gz XLERAGXJUATAGS-UHFFFAOYSA-N 0 1 299.403 2.805 20 30 CFEDMN COC(=O)c1cc(CN[C@@H](CCC#N)c2ccccc2)c[nH]1 ZINC000130533946 377572337 /nfs/dbraw/zinc/57/23/37/377572337.db2.gz SUSRFPDOGWJLIP-HNNXBMFYSA-N 0 1 297.358 2.936 20 30 CFEDMN C=CCCN(C)[C@@H](C)c1ccc(S(C)(=O)=O)cc1 ZINC000132458036 377842254 /nfs/dbraw/zinc/84/22/54/377842254.db2.gz IFVSJZVSKWQKMD-LBPRGKRZSA-N 0 1 267.394 2.659 20 30 CFEDMN Cc1cc(C[C@H](C)Nc2ccc(Cl)c(C#N)n2)[nH]n1 ZINC000133488225 377934047 /nfs/dbraw/zinc/93/40/47/377934047.db2.gz QEARFHKUHQIGLH-QMMMGPOBSA-N 0 1 275.743 2.681 20 30 CFEDMN N#Cc1ccc([C@H](O)CN2CCc3ccc(F)cc3C2)cc1 ZINC000135141150 378089755 /nfs/dbraw/zinc/08/97/55/378089755.db2.gz VQVFZXDYEVBSKP-GOSISDBHSA-N 0 1 296.345 2.789 20 30 CFEDMN COc1ccc(CN2CC[C@H](OCC(C)C)C2)cc1C#N ZINC000135149127 378091368 /nfs/dbraw/zinc/09/13/68/378091368.db2.gz RRRIGMDCFIYEON-INIZCTEOSA-N 0 1 288.391 2.814 20 30 CFEDMN C[C@H]1CN(c2nc(C(F)(F)F)ccc2C#N)C[C@H](C)N1C ZINC000135267473 378107037 /nfs/dbraw/zinc/10/70/37/378107037.db2.gz QEWYTZALAFHTIT-UWVGGRQHSA-N 0 1 298.312 2.501 20 30 CFEDMN C=CCN[C@@H](c1nnc[nH]1)c1cccc(C(F)(F)F)c1 ZINC000136676548 378206165 /nfs/dbraw/zinc/20/61/65/378206165.db2.gz RDJKSVSBPKZPLG-LLVKDONJSA-N 0 1 282.269 2.689 20 30 CFEDMN C=CCCCCCN(C)CC(=O)Nc1cc(C)no1 ZINC000150882310 378278430 /nfs/dbraw/zinc/27/84/30/378278430.db2.gz DRKHXNIZFIYORI-UHFFFAOYSA-N 0 1 265.357 2.600 20 30 CFEDMN C[C@@H]1CCC[C@H]1NC(=O)N1CCC(c2cnc[nH]2)CC1 ZINC000328706445 378416653 /nfs/dbraw/zinc/41/66/53/378416653.db2.gz LKLLXSCHVOANOW-DGCLKSJQSA-N 0 1 276.384 2.692 20 30 CFEDMN Cc1noc(C(C)C)c1C(=O)N[C@H]1CCc2nc[nH]c2C1 ZINC000328954505 378444461 /nfs/dbraw/zinc/44/44/61/378444461.db2.gz OMGRAVLJWACDAI-JTQLQIEISA-N 0 1 288.351 2.692 20 30 CFEDMN C[C@H](C(=O)NC1CC1)N1CC[C@H](n2ncc3ccccc32)C1 ZINC000329356620 378457963 /nfs/dbraw/zinc/45/79/63/378457963.db2.gz WGPFWJPMOWMTKZ-DOMZBBRYSA-N 0 1 298.390 2.791 20 30 CFEDMN CC[N@H+]1CCCC[C@@H]1CNc1nc2c(cc1C#N)CCC2 ZINC000329385230 378459920 /nfs/dbraw/zinc/45/99/20/378459920.db2.gz RWXJLGQBXSANPQ-OAHLLOKOSA-N 0 1 284.407 2.728 20 30 CFEDMN C[C@@H]1CCCC[C@@H]1OCC(=O)N[C@H]1CCc2nc[nH]c2C1 ZINC000329606967 378469469 /nfs/dbraw/zinc/46/94/69/378469469.db2.gz CFXRWFVYZMNSFX-XUJVJEKNSA-N 0 1 291.395 2.819 20 30 CFEDMN Cc1cc(C[C@H](C)NC(=O)C[C@@H]2CCCCNC2=O)n[nH]1 ZINC000328793954 378425636 /nfs/dbraw/zinc/42/56/36/378425636.db2.gz SENBLJKQHXLSGT-JQWIXIFHSA-N 0 1 292.383 2.752 20 30 CFEDMN CCc1nc([C@H](C)NC(=O)NC2CCC(C)(C)CC2)n[nH]1 ZINC000328916161 378439568 /nfs/dbraw/zinc/43/95/68/378439568.db2.gz KAXKFDCBMQCAQH-JTQLQIEISA-N 0 1 293.415 2.901 20 30 CFEDMN N#Cc1ccc(OC2CCN([C@H]3CCCNC3=O)CC2)cc1 ZINC000330044034 378521984 /nfs/dbraw/zinc/52/19/84/378521984.db2.gz AOMNDQMNVYMVFE-INIZCTEOSA-N 0 1 299.374 2.520 20 30 CFEDMN C[C@@H]1CC[C@H](NC([O-])=[NH+][C@@H]2CCc3c[nH]nc3C2)[C@@H](C)C1 ZINC000329850953 378504769 /nfs/dbraw/zinc/50/47/69/378504769.db2.gz SQYUFZFXRNNZFL-WVWOOGAGSA-N 0 1 290.411 2.595 20 30 CFEDMN C[C@@H]1CC[C@H]([NH+]=C([O-])N[C@@H]2CCc3c[nH]nc3C2)[C@@H](C)C1 ZINC000329850953 378504777 /nfs/dbraw/zinc/50/47/77/378504777.db2.gz SQYUFZFXRNNZFL-WVWOOGAGSA-N 0 1 290.411 2.595 20 30 CFEDMN CO[C@@H]1C[C@H](NC(=O)[C@@H]2CCCc3[nH]ncc32)C1(C)C ZINC000329856878 378506202 /nfs/dbraw/zinc/50/62/02/378506202.db2.gz YQDGEEMPCZNHFO-JIMOISOXSA-N 0 1 277.368 2.600 20 30 CFEDMN C=CCNC(=O)[C@@H](C)N(CC)Cc1cccc(Cl)c1 ZINC000154007734 378531540 /nfs/dbraw/zinc/53/15/40/378531540.db2.gz LVMUWEZWSCJKTA-GFCCVEGCSA-N 0 1 280.799 2.853 20 30 CFEDMN C=CCN(C)Cc1cc(Cl)c(OC)c(OC)c1 ZINC000154764064 378593258 /nfs/dbraw/zinc/59/32/58/378593258.db2.gz UQDJAGHVHGYQFW-UHFFFAOYSA-N 0 1 255.745 2.975 20 30 CFEDMN C#CCCOc1ccc(CN[C@H](C)c2cnn(C)c2)cc1 ZINC000266138436 190234148 /nfs/dbraw/zinc/23/41/48/190234148.db2.gz GFMOZSCZSWIXQZ-CQSZACIVSA-N 0 1 283.375 2.673 20 30 CFEDMN O=C(NC[C@@H]1CCCS1)c1cc(O)cc([N+](=O)[O-])c1 ZINC000331047110 378621023 /nfs/dbraw/zinc/62/10/23/378621023.db2.gz IOPGIHQYRQUWFB-NSHDSACASA-N 0 1 282.321 2.501 20 30 CFEDMN CC#CCCN(Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000156796402 378646185 /nfs/dbraw/zinc/64/61/85/378646185.db2.gz KTYFNHHJTIVYFG-UHFFFAOYSA-N 0 1 258.321 2.973 20 30 CFEDMN CCCCCCCN1CCC[C@@H]1c1nncn1C ZINC000157112480 378649472 /nfs/dbraw/zinc/64/94/72/378649472.db2.gz WPZTUOCBLFAMJL-CYBMUJFWSA-N 0 1 250.390 2.922 20 30 CFEDMN N#CCc1ccc(CN2CCCC[C@H]2c2nnc[nH]2)cc1 ZINC000331867194 378716099 /nfs/dbraw/zinc/71/60/99/378716099.db2.gz GLVMJELXVUSDTC-HNNXBMFYSA-N 0 1 281.363 2.598 20 30 CFEDMN CC#CCN1CCC[C@H]1c1cccc2c1OCCO2 ZINC000160398953 378768706 /nfs/dbraw/zinc/76/87/06/378768706.db2.gz HQXHUASMTFPQML-AWEZNQCLSA-N 0 1 257.333 2.618 20 30 CFEDMN Cc1cc([C@H]2CCCN(c3cc(C)ncc3C#N)C2)[nH]n1 ZINC000333416405 378822498 /nfs/dbraw/zinc/82/24/98/378822498.db2.gz IEZMWSWHLILUMQ-ZDUSSCGKSA-N 0 1 281.363 2.677 20 30 CFEDMN C=CCC(CC=C)C(=O)N[C@@H](C)Cc1cc(C)[nH]n1 ZINC000161453352 378848217 /nfs/dbraw/zinc/84/82/17/378848217.db2.gz IDIFCJWEUWJSFZ-NSHDSACASA-N 0 1 261.369 2.534 20 30 CFEDMN C=CCN(CCc1ccco1)Cc1cnn(C=C)c1 ZINC000278500413 194013925 /nfs/dbraw/zinc/01/39/25/194013925.db2.gz NPUQVOQTZRFEOK-UHFFFAOYSA-N 0 1 257.337 2.807 20 30 CFEDMN C[C@H](CC#N)N(C)C[C@@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC000161820847 378873780 /nfs/dbraw/zinc/87/37/80/378873780.db2.gz LAPLQWCDDBQUKG-KGLIPLIRSA-N 0 1 295.427 2.867 20 30 CFEDMN N#Cc1ccc(CN2CCCCC[C@@H]2CO)c(Cl)c1 ZINC000162937991 378944987 /nfs/dbraw/zinc/94/49/87/378944987.db2.gz RKEBDYKHDUFOLV-CQSZACIVSA-N 0 1 278.783 2.949 20 30 CFEDMN C#CCN(C(=O)c1cccc2c[nH]nc21)C1CCCC1 ZINC000164081041 379004174 /nfs/dbraw/zinc/00/41/74/379004174.db2.gz RHFHRKPUGQOAKX-UHFFFAOYSA-N 0 1 267.332 2.581 20 30 CFEDMN C=CCOc1cccc(CNCc2ccc(C)n(C)c2=O)c1 ZINC000278635190 194078646 /nfs/dbraw/zinc/07/86/46/194078646.db2.gz FTWJHBGPNPMYQZ-UHFFFAOYSA-N 0 1 298.386 2.548 20 30 CFEDMN C[C@H]1CCN(Cc2cccc(C#N)c2F)C[C@H]1n1ccnc1 ZINC000334387248 379208144 /nfs/dbraw/zinc/20/81/44/379208144.db2.gz PFCROJGXSTZOFX-XJKSGUPXSA-N 0 1 298.365 2.977 20 30 CFEDMN C[C@@H]1[C@H](C)N(C)CCN1C(=O)c1ccc(C(C)(C)C#N)cc1 ZINC000335403864 379228265 /nfs/dbraw/zinc/22/82/65/379228265.db2.gz UAWKYCDYHCMIAT-UONOGXRCSA-N 0 1 299.418 2.652 20 30 CFEDMN N#Cc1ccc2ncc(CN3CC(C4CCCC4)C3)n2c1 ZINC000334517362 379436865 /nfs/dbraw/zinc/43/68/65/379436865.db2.gz DURTWEFAJQBUPZ-UHFFFAOYSA-N 0 1 280.375 2.828 20 30 CFEDMN COC[C@H]1CCCN(Cc2ccc(C#N)cc2F)C1 ZINC000171996536 379464255 /nfs/dbraw/zinc/46/42/55/379464255.db2.gz BXNYGGHEBNLSAU-ZDUSSCGKSA-N 0 1 262.328 2.556 20 30 CFEDMN C#CCN1CCC(c2nc(-c3cccc(C)c3F)no2)CC1 ZINC000278992198 194244216 /nfs/dbraw/zinc/24/42/16/194244216.db2.gz LCQCNLAPIROOLL-UHFFFAOYSA-N 0 1 299.349 2.997 20 30 CFEDMN C[C@@H]1CC[N@@H+](CCC2(C#N)CCCCC2)C[C@@H]1O ZINC000334560687 379529645 /nfs/dbraw/zinc/52/96/45/379529645.db2.gz FNHKEPWSTJRVMT-KGLIPLIRSA-N 0 1 250.386 2.553 20 30 CFEDMN N#C[C@H]1CC[C@@H](NCc2cccc(O)c2Br)C1 ZINC000335563374 379518231 /nfs/dbraw/zinc/51/82/31/379518231.db2.gz ZNITUONGLDHPND-GXSJLCMTSA-N 0 1 295.180 2.937 20 30 CFEDMN N#Cc1ccc2ncc(CN3CCSC[C@H]3C3CC3)n2c1 ZINC000334679205 379754380 /nfs/dbraw/zinc/75/43/80/379754380.db2.gz LKSJPEBUPYGQOO-HNNXBMFYSA-N 0 1 298.415 2.533 20 30 CFEDMN C[C@@H]1CCN(C(=O)C(C)(C)C#N)CCN1Cc1ccccc1 ZINC000173517859 379746181 /nfs/dbraw/zinc/74/61/81/379746181.db2.gz NYWLTJIRRDUHDY-OAHLLOKOSA-N 0 1 299.418 2.659 20 30 CFEDMN O[C@@H]1CCN(CC#Cc2ccc(F)cc2)C2(CCC2)C1 ZINC000334966361 379948474 /nfs/dbraw/zinc/94/84/74/379948474.db2.gz JMGVMHDDWRIIJL-MRXNPFEDSA-N 0 1 273.351 2.557 20 30 CFEDMN C#CCN1CCC(c2nc(-c3cccc(OC)c3)no2)CC1 ZINC000174857896 379951545 /nfs/dbraw/zinc/95/15/45/379951545.db2.gz VTICMEHKVWZUPY-UHFFFAOYSA-N 0 1 297.358 2.558 20 30 CFEDMN C=CCCCC(=O)NC[C@H](c1ccc(F)cc1)N(C)C ZINC000175372552 380054178 /nfs/dbraw/zinc/05/41/78/380054178.db2.gz ZKQIRFOWQSKZHZ-OAHLLOKOSA-N 0 1 278.371 2.901 20 30 CFEDMN N#Cc1ccc(CN2C[C@H](O)C[C@H]2c2ccccc2)s1 ZINC000335247237 380075973 /nfs/dbraw/zinc/07/59/73/380075973.db2.gz WNTLWUJIYCUQLK-CJNGLKHVSA-N 0 1 284.384 2.928 20 30 CFEDMN C=CCN1CCC(Nc2c(F)c(F)nc(F)c2F)CC1 ZINC000268124944 190379060 /nfs/dbraw/zinc/37/90/60/190379060.db2.gz RQWMLWUJBAJBOH-UHFFFAOYSA-N 0 1 289.276 2.700 20 30 CFEDMN C(#Cc1ccccc1)CN1CCOCC2(CCC2)C1 ZINC000336089790 380265538 /nfs/dbraw/zinc/26/55/38/380265538.db2.gz ZDACCNBSSRJPFW-UHFFFAOYSA-N 0 1 255.361 2.541 20 30 CFEDMN C[C@H]1CSCCN(Cc2cccc(C#N)c2F)C1 ZINC000336096030 380266566 /nfs/dbraw/zinc/26/65/66/380266566.db2.gz ZUWVIYUAPRGVKF-LLVKDONJSA-N 0 1 264.369 2.882 20 30 CFEDMN C=CCCCN(C)C(=O)CSc1n[nH]c(=S)s1 ZINC000176364683 380222561 /nfs/dbraw/zinc/22/25/61/380222561.db2.gz OCXMLNKIXBVOCH-UHFFFAOYSA-N 0 1 289.451 2.717 20 30 CFEDMN CC[C@H]1CN(Cc2ccc(C#N)c(F)c2)CCCO1 ZINC000336496572 380366567 /nfs/dbraw/zinc/36/65/67/380366567.db2.gz DBMATKDGNSOXKL-AWEZNQCLSA-N 0 1 262.328 2.698 20 30 CFEDMN C[C@@H]1CCN(CC(=O)Nc2ccc(C#N)c(Cl)c2)[C@@H]1C ZINC000177878818 380389523 /nfs/dbraw/zinc/38/95/23/380389523.db2.gz PAACLIKJNTYRDB-GHMZBOCLSA-N 0 1 291.782 2.880 20 30 CFEDMN CC1=C[C@H](C)CN(Cc2cnc3ccc(C#N)cn23)C1 ZINC000336547734 380450539 /nfs/dbraw/zinc/45/05/39/380450539.db2.gz JJNDHBVPKQBCQF-LBPRGKRZSA-N 0 1 266.348 2.604 20 30 CFEDMN C[C@H](C#N)CNC(=O)Nc1ccc2nc(C(F)F)[nH]c2c1 ZINC000179509112 380551080 /nfs/dbraw/zinc/55/10/80/380551080.db2.gz OCAKMPOSLNFVEF-SSDOTTSWSA-N 0 1 293.277 2.782 20 30 CFEDMN C=CC[C@H](C(=O)NCc1n[nH]c(C2CC2)n1)c1ccccc1 ZINC000295365755 380811701 /nfs/dbraw/zinc/81/17/01/380811701.db2.gz HDBIOWMWCHKXTQ-AWEZNQCLSA-N 0 1 296.374 2.658 20 30 CFEDMN Cc1nocc1CN1CCCN(c2ccccc2C#N)CC1 ZINC000295409042 380833749 /nfs/dbraw/zinc/83/37/49/380833749.db2.gz RKOZVTBRUYVQFV-UHFFFAOYSA-N 0 1 296.374 2.567 20 30 CFEDMN Cc1c(Cl)cnc(N[C@@H]2CCc3[nH]cnc3C2)c1C#N ZINC000367907350 380853065 /nfs/dbraw/zinc/85/30/65/380853065.db2.gz QQOJIBZUOREMNZ-SECBINFHSA-N 0 1 287.754 2.608 20 30 CFEDMN N#Cc1ccc(CNCc2ccnc(OC(F)F)c2)cc1 ZINC000341268867 380884924 /nfs/dbraw/zinc/88/49/24/380884924.db2.gz MMSFUVNDMKWBDO-UHFFFAOYSA-N 0 1 289.285 2.844 20 30 CFEDMN C=CC[C@@H](CO)CNCc1coc(-c2ccccc2)n1 ZINC000341290439 380906254 /nfs/dbraw/zinc/90/62/54/380906254.db2.gz FZMNQLUGFMDUHR-CYBMUJFWSA-N 0 1 272.348 2.616 20 30 CFEDMN CCN(CCCO)Cc1ccc(Br)cc1C#N ZINC000287679868 380907502 /nfs/dbraw/zinc/90/75/02/380907502.db2.gz ICZSEEHKZLPKRV-UHFFFAOYSA-N 0 1 297.196 2.525 20 30 CFEDMN CCN1C[C@@H](C)N(Cc2cc(C#N)cs2)C[C@@H]1C ZINC000353860359 380909337 /nfs/dbraw/zinc/90/93/37/380909337.db2.gz DRWCMCLTMWYFAL-NWDGAFQWSA-N 0 1 263.410 2.534 20 30 CFEDMN C=C(CC)CN[C@@](C)(C(N)=O)c1cccc(Cl)c1 ZINC000358621649 380973812 /nfs/dbraw/zinc/97/38/12/380973812.db2.gz YSZYXXLOXNOKEU-CQSZACIVSA-N 0 1 266.772 2.596 20 30 CFEDMN C=C(CC)CN[C@](C)(C(N)=O)c1cccc(Cl)c1 ZINC000358621648 380975052 /nfs/dbraw/zinc/97/50/52/380975052.db2.gz YSZYXXLOXNOKEU-AWEZNQCLSA-N 0 1 266.772 2.596 20 30 CFEDMN Cc1cc(CN(CCCO)Cc2ccccn2)ccc1C#N ZINC000347219731 381009067 /nfs/dbraw/zinc/00/90/67/381009067.db2.gz VFMWYILDUVHYHD-UHFFFAOYSA-N 0 1 295.386 2.646 20 30 CFEDMN C=C(C)CN(CC)[C@H]1CCN(c2ccc(F)cc2)C1=O ZINC000411152781 381012622 /nfs/dbraw/zinc/01/26/22/381012622.db2.gz HYHYDXJYFIATLY-HNNXBMFYSA-N 0 1 276.355 2.829 20 30 CFEDMN CCOCCN1CCN(CCC2(C#N)CCCCC2)CC1 ZINC000411239963 381018075 /nfs/dbraw/zinc/01/80/75/381018075.db2.gz NZWUNADDKYVZJX-UHFFFAOYSA-N 0 1 293.455 2.505 20 30 CFEDMN N#CC1(CCN2CCC[C@H]2C(=O)NC2CC2)CCCCC1 ZINC000411264873 381020214 /nfs/dbraw/zinc/02/02/14/381020214.db2.gz HYABRONILPPBPS-HNNXBMFYSA-N 0 1 289.423 2.594 20 30 CFEDMN CCCCN(CCCO)Cc1cn2ccccc2c1C#N ZINC000182152824 381003592 /nfs/dbraw/zinc/00/35/92/381003592.db2.gz JLLWYITZZVKMHX-UHFFFAOYSA-N 0 1 285.391 2.795 20 30 CFEDMN C=C[C@H](CO)N[C@@H](C)c1cc2cccc(OC)c2o1 ZINC000289568168 381048603 /nfs/dbraw/zinc/04/86/03/381048603.db2.gz ATMYGJKHOPXDEN-CMPLNLGQSA-N 0 1 261.321 2.639 20 30 CFEDMN Cc1nsc(N2CCN(CCC(C)(C)C)CC2)c1C#N ZINC000341589806 381106887 /nfs/dbraw/zinc/10/68/87/381106887.db2.gz HKRGSRVYQPOTAL-UHFFFAOYSA-N 0 1 292.452 2.881 20 30 CFEDMN CO[C@](C)([C@@H](C)NCc1cccc(F)c1C#N)C1CC1 ZINC000411968284 381076236 /nfs/dbraw/zinc/07/62/36/381076236.db2.gz JJXMKJDTKNOIDV-BDJLRTHQSA-N 0 1 276.355 2.991 20 30 CFEDMN N#Cc1cc(F)ccc1CN1CCCC[C@@H]1c1nnc[nH]1 ZINC000182694292 381140405 /nfs/dbraw/zinc/14/04/05/381140405.db2.gz XFYJBKOFVIKDQU-CQSZACIVSA-N 0 1 285.326 2.543 20 30 CFEDMN N#Cc1cccc(CNC(=O)c2cc3[nH]cnc3cc2F)c1 ZINC000341658032 381155453 /nfs/dbraw/zinc/15/54/53/381155453.db2.gz MIILOJOICZZBJU-UHFFFAOYSA-N 0 1 294.289 2.504 20 30 CFEDMN CC[C@H](C)N1CCN(c2cc(C(C)=O)ccc2C#N)CC1 ZINC000296024416 381217419 /nfs/dbraw/zinc/21/74/19/381217419.db2.gz OPHPELHAMFENKA-ZDUSSCGKSA-N 0 1 285.391 2.681 20 30 CFEDMN C[S@](=O)C[C@H](NCc1cccc(C#N)c1)c1ccccc1 ZINC000183074895 381210910 /nfs/dbraw/zinc/21/09/10/381210910.db2.gz QCVZFYUKNQLXSG-UWJYYQICSA-N 0 1 298.411 2.768 20 30 CFEDMN C=C[C@H](CO)NCc1ccc(Br)cc1Cl ZINC000289997871 381253373 /nfs/dbraw/zinc/25/33/73/381253373.db2.gz XZELWRISWWXCKQ-SNVBAGLBSA-N 0 1 290.588 2.739 20 30 CFEDMN N#Cc1c(CN2CCCO[C@@H]3CCC[C@H]32)cn2ccccc12 ZINC000369456040 381262348 /nfs/dbraw/zinc/26/23/48/381262348.db2.gz DWUAUCAUJHDVPJ-QZTJIDSGSA-N 0 1 295.386 2.954 20 30 CFEDMN C#Cc1ccc(CN2CCC[C@@H]2[C@H](O)C(F)(F)F)cc1 ZINC000289966076 381240403 /nfs/dbraw/zinc/24/04/03/381240403.db2.gz IWHMOJGIFDLGRT-KGLIPLIRSA-N 0 1 283.293 2.556 20 30 CFEDMN COc1cc([C@@H](C)NCc2ccc(C#N)c(OC)c2)ccn1 ZINC000342288379 381250498 /nfs/dbraw/zinc/25/04/98/381250498.db2.gz BHTXOZSDLNJMMJ-GFCCVEGCSA-N 0 1 297.358 2.821 20 30 CFEDMN C=CCOc1ccc(C[N@@H+]2C[C@@H](C)N(C)[C@@H](C)C2)cc1 ZINC000354457484 381282932 /nfs/dbraw/zinc/28/29/32/381282932.db2.gz XZPCPVQXJGYKHG-GASCZTMLSA-N 0 1 274.408 2.776 20 30 CFEDMN C#C[C@@H](NCc1ccc(C(=O)OCC)o1)C(C)(C)C ZINC000290160982 381325663 /nfs/dbraw/zinc/32/56/63/381325663.db2.gz LULJXENUFDJZPN-CYBMUJFWSA-N 0 1 263.337 2.594 20 30 CFEDMN COc1ncc(C(=O)C(C#N)c2ccccn2)cc1Cl ZINC000342444226 381335668 /nfs/dbraw/zinc/33/56/68/381335668.db2.gz XAQWKKYGLXVYMJ-SNVBAGLBSA-N 0 1 287.706 2.629 20 30 CFEDMN COCCN(CCC(=O)C(C)C)Cc1ccc(C#N)cc1 ZINC000290209570 381342581 /nfs/dbraw/zinc/34/25/81/381342581.db2.gz HGIAEGIZJHEIIO-UHFFFAOYSA-N 0 1 288.391 2.622 20 30 CFEDMN C=CCOc1cccc(NC(=O)CN(C)CCC)c1 ZINC000359249741 381309884 /nfs/dbraw/zinc/30/98/84/381309884.db2.gz IVBHCCYGZPBZRT-UHFFFAOYSA-N 0 1 262.353 2.532 20 30 CFEDMN Cc1cccc2nc(CNc3nccc(C#N)c3Cl)[nH]c21 ZINC000342513086 381369078 /nfs/dbraw/zinc/36/90/78/381369078.db2.gz WOTLTXBOALVDJE-UHFFFAOYSA-N 0 1 297.749 2.825 20 30 CFEDMN CCCCCCCN1CC[C@@H](OC)C[C@@H]1C(=O)OC ZINC000370229703 381409774 /nfs/dbraw/zinc/40/97/74/381409774.db2.gz DIEIZGLZAOJFPO-ZIAGYGMSSA-N 0 1 271.401 2.609 20 30 CFEDMN CC#CCN1CCC[C@H](OCc2ccccc2F)C1 ZINC000348230340 381474823 /nfs/dbraw/zinc/47/48/23/381474823.db2.gz NZCJPKABCCULTD-HNNXBMFYSA-N 0 1 261.340 2.830 20 30 CFEDMN CCN(CCC(=O)N1CCCc2ccccc21)C[C@@H](C)C#N ZINC000348267862 381478984 /nfs/dbraw/zinc/47/89/84/381478984.db2.gz ADAXHSULGWNKHQ-HNNXBMFYSA-N 0 1 299.418 2.837 20 30 CFEDMN C[C@@H](NCCCC(C)(C)C#N)c1nnnn1-c1ccccc1 ZINC000184801898 381480267 /nfs/dbraw/zinc/48/02/67/381480267.db2.gz DRYRYXRSYWIYLF-CYBMUJFWSA-N 0 1 298.394 2.643 20 30 CFEDMN C=C(Br)CN(C)[C@@H]1[C@@H]2CCO[C@H]2C1(C)C ZINC000370865589 381509538 /nfs/dbraw/zinc/50/95/38/381509538.db2.gz WCCNUKSJGUIWFE-HBNTYKKESA-N 0 1 274.202 2.640 20 30 CFEDMN C=CCCN(C)Cc1cncn1Cc1ccccc1 ZINC000342718011 381495498 /nfs/dbraw/zinc/49/54/98/381495498.db2.gz GZUGXRQNKNMWNR-UHFFFAOYSA-N 0 1 255.365 2.939 20 30 CFEDMN C#CCC(C)(C)C(=O)NC[C@H](c1ccco1)N1CCCC1 ZINC000184906103 381495524 /nfs/dbraw/zinc/49/55/24/381495524.db2.gz VMIGPQLWWGXCQF-CQSZACIVSA-N 0 1 288.391 2.582 20 30 CFEDMN C=CCCN(C)CC(=O)Nc1ccc(C)cc1F ZINC000342720357 381497854 /nfs/dbraw/zinc/49/78/54/381497854.db2.gz LDLBURYFWJJBAI-UHFFFAOYSA-N 0 1 250.317 2.581 20 30 CFEDMN CC(C)c1cccc(C(=O)N=c2[nH]n(C(C)C)cc2C#N)n1 ZINC000354874355 381499980 /nfs/dbraw/zinc/49/99/80/381499980.db2.gz DUDKNOKERDWUFO-UHFFFAOYSA-N 0 1 297.362 2.528 20 30 CFEDMN N#C[C@H](c1cccc(Cl)c1)N1CCN(CC2CC2)CC1 ZINC000348317462 381503104 /nfs/dbraw/zinc/50/31/04/381503104.db2.gz APUSXYKDNRNYQC-MRXNPFEDSA-N 0 1 289.810 2.932 20 30 CFEDMN C=CCCN(C)CC(=O)N[C@@H]1CCCc2ccccc21 ZINC000342767176 381524729 /nfs/dbraw/zinc/52/47/29/381524729.db2.gz XUANEKUEEYVKIP-MRXNPFEDSA-N 0 1 272.392 2.688 20 30 CFEDMN N#Cc1cc(F)ccc1CN[C@@H]1CCC[C@H]1OC(F)F ZINC000348456412 381574372 /nfs/dbraw/zinc/57/43/72/381574372.db2.gz OAMOAOUGQFTINC-CHWSQXEVSA-N 0 1 284.281 2.947 20 30 CFEDMN COC(=O)c1coc([C@@H](C)NCC(C)(C)CC#N)c1 ZINC000414161003 381565421 /nfs/dbraw/zinc/56/54/21/381565421.db2.gz DVEOGEZEPIZPIM-SNVBAGLBSA-N 0 1 264.325 2.657 20 30 CFEDMN CC(C)[C@H]1N(C[C@@H](C#N)CCC#N)CC12CCOCC2 ZINC000414184495 381569673 /nfs/dbraw/zinc/56/96/73/381569673.db2.gz NWLVPUQPXPRLEA-HUUCEWRRSA-N 0 1 275.396 2.567 20 30 CFEDMN N#Cc1ccc(CN2CCCC[C@@H]2Cn2cccn2)s1 ZINC000371372280 381604994 /nfs/dbraw/zinc/60/49/94/381604994.db2.gz GCSHBMSLSFAFLA-CYBMUJFWSA-N 0 1 286.404 2.871 20 30 CFEDMN C=CCOc1ccccc1CN1CCCO[C@@H](CF)C1 ZINC000414475460 381586790 /nfs/dbraw/zinc/58/67/90/381586790.db2.gz HEKBULPIDUAEMI-HNNXBMFYSA-N 0 1 279.355 2.812 20 30 CFEDMN C=CC1CCN(C(=O)c2ccc(-c3nnc[nH]3)cc2)CC1 ZINC000185577500 381671252 /nfs/dbraw/zinc/67/12/52/381671252.db2.gz BGODCMCUJNCVQE-UHFFFAOYSA-N 0 1 282.347 2.510 20 30 CFEDMN CCN(Cc1cc(C#N)ccc1F)C[C@@H](C)OC ZINC000291225651 381713242 /nfs/dbraw/zinc/71/32/42/381713242.db2.gz LWTJKWIXUDNUPK-LLVKDONJSA-N 0 1 250.317 2.554 20 30 CFEDMN C=CCN(CC=C)Cc1cc(OC)c(O)c(OC)c1 ZINC000298606790 381687170 /nfs/dbraw/zinc/68/71/70/381687170.db2.gz PPMINKJXFMDMHX-UHFFFAOYSA-N 0 1 263.337 2.583 20 30 CFEDMN CO[C@@H]1CCCN(Cc2cn3ccccc3c2C#N)CC1 ZINC000371737499 381690149 /nfs/dbraw/zinc/69/01/49/381690149.db2.gz UXGUSZRGNUIDSD-OAHLLOKOSA-N 0 1 283.375 2.812 20 30 CFEDMN Cc1nc([C@@H](C)Nc2nc(C)c(C#N)cc2Cl)n[nH]1 ZINC000359967017 381701964 /nfs/dbraw/zinc/70/19/64/381701964.db2.gz CZYKWEFDQHMQAV-SSDOTTSWSA-N 0 1 276.731 2.515 20 30 CFEDMN N#Cc1ccccc1N1CCCN(Cc2cccnc2)CC1 ZINC000298745228 381734368 /nfs/dbraw/zinc/73/43/68/381734368.db2.gz KRZDGTRBGZSCDX-UHFFFAOYSA-N 0 1 292.386 2.666 20 30 CFEDMN C#CCC(C)(C)C(=O)N[C@@H]1C[C@H](C)[N@H+](Cc2ccccc2)C1 ZINC000185838215 381752155 /nfs/dbraw/zinc/75/21/55/381752155.db2.gz CYZZCIJYETWMKG-DOTOQJQBSA-N 0 1 298.430 2.815 20 30 CFEDMN CN1Cc2ccccc2[C@@H](Nc2ncccc2C#N)C1 ZINC000372296422 381787557 /nfs/dbraw/zinc/78/75/57/381787557.db2.gz DMBSYOOFSOIAMF-HNNXBMFYSA-N 0 1 264.332 2.552 20 30 CFEDMN Cc1ncc(CN(C)CCOc2ccccc2C#N)s1 ZINC000299067179 381811581 /nfs/dbraw/zinc/81/15/81/381811581.db2.gz OQIPKURUTAMDDU-UHFFFAOYSA-N 0 1 287.388 2.834 20 30 CFEDMN COc1ccc2nc(SCCOCCC#N)[nH]c2c1 ZINC000292745622 381820151 /nfs/dbraw/zinc/82/01/51/381820151.db2.gz RAMWVOUXPXAVSC-UHFFFAOYSA-N 0 1 277.349 2.594 20 30 CFEDMN CC[C@@H](C(=O)N[C@@H](C#N)C(C)C)N(C)Cc1ccccc1 ZINC000343637164 381859325 /nfs/dbraw/zinc/85/93/25/381859325.db2.gz XTEHUKMQJNGFQA-HOTGVXAUSA-N 0 1 287.407 2.561 20 30 CFEDMN C[C@@H]1[C@H](C)N(c2nc(C(F)(F)F)ccc2C#N)CCN1C ZINC000356792119 381866774 /nfs/dbraw/zinc/86/67/74/381866774.db2.gz JHHGPXABPCMEKU-ZJUUUORDSA-N 0 1 298.312 2.501 20 30 CFEDMN COc1ccc(F)c(N2CCN(CCCCC#N)CC2)c1 ZINC000361927332 381872999 /nfs/dbraw/zinc/87/29/99/381872999.db2.gz PORXNBQZIWFYMG-UHFFFAOYSA-N 0 1 291.370 2.650 20 30 CFEDMN CN(Cc1ccc(C#N)s1)Cc1ccc(O)cc1 ZINC000349420174 381930817 /nfs/dbraw/zinc/93/08/17/381930817.db2.gz QYLKVKNYEGFUDO-UHFFFAOYSA-N 0 1 258.346 2.957 20 30 CFEDMN CSC[C@H]1CCCN(Cc2ccc(C#N)o2)C1 ZINC000292895416 381889451 /nfs/dbraw/zinc/88/94/51/381889451.db2.gz ZKQYHDXTYXAXCG-NSHDSACASA-N 0 1 250.367 2.726 20 30 CFEDMN CC(C)(C#N)CCCC[N@H+]1CCO[C@H](C2CC2)C1 ZINC000373107653 381929317 /nfs/dbraw/zinc/92/93/17/381929317.db2.gz VNCIZMMJVUOTLI-AWEZNQCLSA-N 0 1 250.386 2.817 20 30 CFEDMN CC(C)(C#N)CCCCN1CCO[C@H](C2CC2)C1 ZINC000373107653 381929328 /nfs/dbraw/zinc/92/93/28/381929328.db2.gz VNCIZMMJVUOTLI-AWEZNQCLSA-N 0 1 250.386 2.817 20 30 CFEDMN C=CCC(C)(C)C(=O)Nc1nc(-c2ccco2)n[nH]1 ZINC000299312828 381893428 /nfs/dbraw/zinc/89/34/28/381893428.db2.gz OXBJZRQHYMGYIO-UHFFFAOYSA-N 0 1 260.297 2.606 20 30 CFEDMN CC(C)[C@@]1(CO)CCCN(Cc2ccc(F)c(C#N)c2)C1 ZINC000293042637 381963611 /nfs/dbraw/zinc/96/36/11/381963611.db2.gz MGJXFVDXEDZWDB-KRWDZBQOSA-N 0 1 290.382 2.928 20 30 CFEDMN C=C(CNCc1cc(C(=O)OC)co1)c1ccccc1 ZINC000349909648 381996845 /nfs/dbraw/zinc/99/68/45/381996845.db2.gz YKPLKTQAUDDQQX-UHFFFAOYSA-N 0 1 271.316 2.869 20 30 CFEDMN Cc1nc2ccc(COc3cccnc3C#N)cc2[nH]1 ZINC000357072680 381997689 /nfs/dbraw/zinc/99/76/89/381997689.db2.gz MJGSNTZEADDLIT-UHFFFAOYSA-N 0 1 264.288 2.717 20 30 CFEDMN C=C(C)CN(CCO)Cc1ccc(Br)s1 ZINC000362251567 381978186 /nfs/dbraw/zinc/97/81/86/381978186.db2.gz YCLOTEILDUOKNU-UHFFFAOYSA-N 0 1 290.226 2.881 20 30 CFEDMN Cc1ccc(-c2cc(C(=O)N(CC#N)C3CC3)n[nH]2)cc1C ZINC000343911144 382014998 /nfs/dbraw/zinc/01/49/98/382014998.db2.gz APHZVFKPCKPEJP-UHFFFAOYSA-N 0 1 294.358 2.822 20 30 CFEDMN COc1ccc2c(c1)OCCN(CCCSCC#N)C2 ZINC000374769504 382054795 /nfs/dbraw/zinc/05/47/95/382054795.db2.gz ULYCIBCQHKHSDV-UHFFFAOYSA-N 0 1 292.404 2.536 20 30 CFEDMN Cn1ccnc1[C@H]1CCCN1CCCC(C)(C)C#N ZINC000375027905 382066146 /nfs/dbraw/zinc/06/61/46/382066146.db2.gz BERDXCFTIGALRA-CYBMUJFWSA-N 0 1 260.385 2.887 20 30 CFEDMN C=CCS(=O)(=O)CCNCc1ccc(C2CCC2)cc1 ZINC000293178298 382019327 /nfs/dbraw/zinc/01/93/27/382019327.db2.gz HBMRFKXHLNUKRA-UHFFFAOYSA-N 0 1 293.432 2.645 20 30 CFEDMN C=C(C)CN(C)CC(=O)N(C)[C@H](C)c1ccccc1OC ZINC000351027977 382021693 /nfs/dbraw/zinc/02/16/93/382021693.db2.gz NRMHMKXXTICQPZ-CQSZACIVSA-N 0 1 290.407 2.723 20 30 CFEDMN N#CCC1(CN=c2nc(-c3ccccc3)[nH]s2)CC1 ZINC000362359173 382024253 /nfs/dbraw/zinc/02/42/53/382024253.db2.gz MSFCZTMSIYAHDS-UHFFFAOYSA-N 0 1 270.361 2.733 20 30 CFEDMN N#Cc1ccc(Sc2nc(C3CC3)n[nH]2)cc1[N+](=O)[O-] ZINC000357316898 382103604 /nfs/dbraw/zinc/10/36/04/382103604.db2.gz PKDCDMAFUZUEMF-UHFFFAOYSA-N 0 1 287.304 2.613 20 30 CFEDMN COc1ccccc1[C@H](CNc1cccnc1C#N)N(C)C ZINC000357319770 382105886 /nfs/dbraw/zinc/10/58/86/382105886.db2.gz WOSDLFXRUZUHFI-INIZCTEOSA-N 0 1 296.374 2.677 20 30 CFEDMN C#CCNC(=O)CCN(CC=C)Cc1ccc(Cl)s1 ZINC000293329802 382082684 /nfs/dbraw/zinc/08/26/84/382082684.db2.gz CQODQJWJNOJEOO-UHFFFAOYSA-N 0 1 296.823 2.529 20 30 CFEDMN CN(CC(=O)Nc1sccc1C#N)C[C@H]1CC=CCC1 ZINC000344040245 382087376 /nfs/dbraw/zinc/08/73/76/382087376.db2.gz GXRBDPDWILHAKO-LBPRGKRZSA-N 0 1 289.404 2.846 20 30 CFEDMN Cc1cc(C[C@@H](C)Nc2ccc(C#N)c([N+](=O)[O-])c2)[nH]n1 ZINC000357442105 382173699 /nfs/dbraw/zinc/17/36/99/382173699.db2.gz TUBOVFNHEAINHB-SECBINFHSA-N 0 1 285.307 2.541 20 30 CFEDMN C[C@H](NCc1ccc(F)cn1)c1cccc(C#N)c1 ZINC000344142879 382156899 /nfs/dbraw/zinc/15/68/99/382156899.db2.gz RJGWLBOUIPBZIM-NSHDSACASA-N 0 1 255.296 2.943 20 30 CFEDMN N#Cc1ccc(N[C@@H]2CCCc3cn[nH]c32)cc1[N+](=O)[O-] ZINC000357439877 382172201 /nfs/dbraw/zinc/17/22/01/382172201.db2.gz OXDLHWRWZQPSBU-GFCCVEGCSA-N 0 1 283.291 2.679 20 30 CFEDMN COc1cc(C#N)ccc1CN(C)CCc1ccccc1O ZINC000344163168 382173098 /nfs/dbraw/zinc/17/30/98/382173098.db2.gz MEOKFMCDPCOECO-UHFFFAOYSA-N 0 1 296.370 2.947 20 30 CFEDMN C=CCN(CCc1ccco1)Cc1cnn(CC(F)F)c1 ZINC000293763615 382268907 /nfs/dbraw/zinc/26/89/07/382268907.db2.gz ZFUWNTBBLCLJMA-UHFFFAOYSA-N 0 1 295.333 2.972 20 30 CFEDMN CN(CC#N)C(=O)c1cccc2[nH]c(-c3cccs3)nc21 ZINC000352421723 382323629 /nfs/dbraw/zinc/32/36/29/382323629.db2.gz DQSFXGNJSJGAOX-UHFFFAOYSA-N 0 1 296.355 2.887 20 30 CFEDMN CC(C)(C)Oc1ccc(C(=O)C(C#N)c2ccncn2)nc1 ZINC000346000639 382326320 /nfs/dbraw/zinc/32/63/20/382326320.db2.gz YWYPTBUIGGLTSD-GFCCVEGCSA-N 0 1 296.330 2.539 20 30 CFEDMN C[C@@H]1CC[C@](CO)(N(C)Cc2cc(F)ccc2C#N)C1 ZINC000188026002 382327209 /nfs/dbraw/zinc/32/72/09/382327209.db2.gz QWYKUSPBIKBMRH-WBMJQRKESA-N 0 1 276.355 2.680 20 30 CFEDMN C[C@@H]1CC[C@@](CO)(N(C)Cc2cc(F)ccc2C#N)C1 ZINC000188025958 382327533 /nfs/dbraw/zinc/32/75/33/382327533.db2.gz QWYKUSPBIKBMRH-MLGOLLRUSA-N 0 1 276.355 2.680 20 30 CFEDMN CN(Cc1cc(C#N)n(C)c1)[C@H]1CCCc2cccnc21 ZINC000365240327 382364040 /nfs/dbraw/zinc/36/40/40/382364040.db2.gz IBTRGNUXCXXWBY-INIZCTEOSA-N 0 1 280.375 2.801 20 30 CFEDMN C#CC(C)(C)N(C)Cc1ccnc(Br)c1 ZINC000294008385 382375724 /nfs/dbraw/zinc/37/57/24/382375724.db2.gz GNAMRIFFMNEWGY-UHFFFAOYSA-N 0 1 267.170 2.688 20 30 CFEDMN N#Cc1ccc(CN2CCC([C@H]3CCCO3)CC2)o1 ZINC000188258645 382377720 /nfs/dbraw/zinc/37/77/20/382377720.db2.gz KIJPICFSWUVCAJ-OAHLLOKOSA-N 0 1 260.337 2.542 20 30 CFEDMN C=CCN(C(=O)[C@H](C)N1CCc2ccccc2C1)C1CC1 ZINC000357945959 382386408 /nfs/dbraw/zinc/38/64/08/382386408.db2.gz RWIZRKLLXCKZDV-AWEZNQCLSA-N 0 1 284.403 2.610 20 30 CFEDMN CCOc1cccc(NC(=O)c2ccc(C#N)c(O)c2)c1 ZINC000188340043 382395378 /nfs/dbraw/zinc/39/53/78/382395378.db2.gz MOEZGUMETYUHOS-UHFFFAOYSA-N 0 1 282.299 2.915 20 30 CFEDMN C=C[C@H](CO)NCc1ccc(-c2ccccc2F)o1 ZINC000352465658 382347185 /nfs/dbraw/zinc/34/71/85/382347185.db2.gz MSYXRJCEKRXRGW-LLVKDONJSA-N 0 1 261.296 2.722 20 30 CFEDMN COC[C@]1(C)CC[N@@H+](Cc2ccc(C#N)cc2F)C1 ZINC000294239916 382473456 /nfs/dbraw/zinc/47/34/56/382473456.db2.gz PCPNTUPCFSBEAF-OAHLLOKOSA-N 0 1 262.328 2.556 20 30 CFEDMN COC[C@]1(C)CCN(Cc2ccc(C#N)cc2F)C1 ZINC000294239916 382473458 /nfs/dbraw/zinc/47/34/58/382473458.db2.gz PCPNTUPCFSBEAF-OAHLLOKOSA-N 0 1 262.328 2.556 20 30 CFEDMN Cc1noc(C2CC2)c1NC(=O)c1ccc(C#N)c(O)c1 ZINC000188788928 382477701 /nfs/dbraw/zinc/47/77/01/382477701.db2.gz RFQMBZKJBJSTBE-UHFFFAOYSA-N 0 1 283.287 2.690 20 30 CFEDMN C=CCCCCCN1C[C@@H](CC)[S@](=O)[C@@H](C)C1 ZINC000352902060 382480961 /nfs/dbraw/zinc/48/09/61/382480961.db2.gz ZHPAWJGOCQGHJD-JJRVBVJISA-N 0 1 257.443 2.964 20 30 CFEDMN C=C(C)CN(Cc1cnn(C(C)C)c1)[C@@H](C)COC ZINC000352916384 382483811 /nfs/dbraw/zinc/48/38/11/382483811.db2.gz RWQRNMCDSDWCBO-AWEZNQCLSA-N 0 1 265.401 2.877 20 30 CFEDMN CC[C@@](C)(C#N)C(=O)N1CCN(C2CCC(C)CC2)CC1 ZINC000353063352 382490423 /nfs/dbraw/zinc/49/04/23/382490423.db2.gz LWHGQOOPLARMCO-DQPZFDDXSA-N 0 1 291.439 2.649 20 30 CFEDMN C=CCOc1ccccc1CN1CC[C@@]12CCOC2 ZINC000421404523 382521693 /nfs/dbraw/zinc/52/16/93/382521693.db2.gz YZVFFNKDHNFUFO-INIZCTEOSA-N 0 1 259.349 2.616 20 30 CFEDMN C=C(C)CNCc1cccc(O)c1Br ZINC000315326826 382527696 /nfs/dbraw/zinc/52/76/96/382527696.db2.gz IGNGBBNAKVYDRH-UHFFFAOYSA-N 0 1 256.143 2.820 20 30 CFEDMN Cc1cc([C@@H]2CCCN(C(=O)N[C@H]3C=CCCC3)C2)n[nH]1 ZINC000328664142 382561044 /nfs/dbraw/zinc/56/10/44/382561044.db2.gz BICUGDMZMOAMQH-KGLIPLIRSA-N 0 1 288.395 2.920 20 30 CFEDMN C=C[C@@H](CO)N[C@@H]1CCCc2ncc(C(F)(F)F)cc21 ZINC000353566536 382561896 /nfs/dbraw/zinc/56/18/96/382561896.db2.gz LXHLGUXCOFDAIP-GXFFZTMASA-N 0 1 286.297 2.614 20 30 CFEDMN CC(C)c1nc(CNc2cccc(F)c2C#N)n[nH]1 ZINC000295035265 382563923 /nfs/dbraw/zinc/56/39/23/382563923.db2.gz WCUIZVDCPAQNBP-UHFFFAOYSA-N 0 1 259.288 2.551 20 30 CFEDMN C[C@H](C#N)CNC(=O)c1cn[nH]c1-c1ccc(Cl)s1 ZINC000189392133 382601939 /nfs/dbraw/zinc/60/19/39/382601939.db2.gz LZXIZHUBOHPECB-SSDOTTSWSA-N 0 1 294.767 2.681 20 30 CFEDMN N#CC(C(=O)c1ccoc1)c1cnc2ccccc2n1 ZINC000190968405 382686837 /nfs/dbraw/zinc/68/68/37/382686837.db2.gz SROHFMPTEILZPN-NSHDSACASA-N 0 1 263.256 2.713 20 30 CFEDMN N#C[C@H](C(=O)c1ccoc1)c1cnc2ccccc2n1 ZINC000190968405 382686838 /nfs/dbraw/zinc/68/68/38/382686838.db2.gz SROHFMPTEILZPN-NSHDSACASA-N 0 1 263.256 2.713 20 30 CFEDMN C=CCC[C@H](O)C[N@H+]1CC2(CCCC2)OC(C)(C)C1 ZINC000190978302 382687193 /nfs/dbraw/zinc/68/71/93/382687193.db2.gz ITKSZJJNKJUTMN-AWEZNQCLSA-N 0 1 267.413 2.737 20 30 CFEDMN CC[C@@]1(CO)CCCN(Cc2cc(C#N)cs2)C1 ZINC000190222765 382657726 /nfs/dbraw/zinc/65/77/26/382657726.db2.gz WTVUIESFNYRREU-CQSZACIVSA-N 0 1 264.394 2.604 20 30 CFEDMN CCOCCOCC[N@@H+](C)[C@H](C)c1cccc(C#N)c1 ZINC000190295723 382661037 /nfs/dbraw/zinc/66/10/37/382661037.db2.gz GHBWYNSUUFZLFH-CQSZACIVSA-N 0 1 276.380 2.604 20 30 CFEDMN N#Cc1ccc(CSc2nc(C3CC3)n[nH]2)cc1F ZINC000190988826 382687581 /nfs/dbraw/zinc/68/75/81/382687581.db2.gz YCWBDFIDVZSWOI-UHFFFAOYSA-N 0 1 274.324 2.985 20 30 CFEDMN N#Cc1ccc(CSc2n[nH]c(C3CC3)n2)cc1F ZINC000190988826 382687582 /nfs/dbraw/zinc/68/75/82/382687582.db2.gz YCWBDFIDVZSWOI-UHFFFAOYSA-N 0 1 274.324 2.985 20 30 CFEDMN C=CCN(CCOC)Cc1ccc(C(=O)OC(C)C)cc1 ZINC000191140021 382692532 /nfs/dbraw/zinc/69/25/32/382692532.db2.gz SDOMKCILJINRNV-UHFFFAOYSA-N 0 1 291.391 2.886 20 30 CFEDMN COCCN(Cc1cc(C#N)n(C)c1)Cc1ccccc1 ZINC000191171951 382694307 /nfs/dbraw/zinc/69/43/07/382694307.db2.gz UCRXOZFSVVBYCZ-UHFFFAOYSA-N 0 1 283.375 2.545 20 30 CFEDMN Cn1cc([C@H]2CSCCN2CCCC(C)(C)C#N)cn1 ZINC000191191794 382695084 /nfs/dbraw/zinc/69/50/84/382695084.db2.gz JWURNVNLTHOJLN-CQSZACIVSA-N 0 1 292.452 2.840 20 30 CFEDMN CC(C)COC1CCN(Cc2cc(C#N)n(C)c2)CC1 ZINC000191264743 382697315 /nfs/dbraw/zinc/69/73/15/382697315.db2.gz QDJTYRYJHDLRET-UHFFFAOYSA-N 0 1 275.396 2.534 20 30 CFEDMN C=CCNC(=O)[C@H](C)N[C@@H](C)c1cc2ccccc2o1 ZINC000191365055 382699219 /nfs/dbraw/zinc/69/92/19/382699219.db2.gz UFTNXSZPZQGMIA-RYUDHWBXSA-N 0 1 272.348 2.774 20 30 CFEDMN CCSc1cc(CNCc2cc(C#N)n(C)c2)ccn1 ZINC000191618420 382701590 /nfs/dbraw/zinc/70/15/90/382701590.db2.gz VASGHVAVPSMJIX-UHFFFAOYSA-N 0 1 286.404 2.694 20 30 CFEDMN C=C(C)CN(CC)[C@@H]1CCc2ccccc2NC1=O ZINC000191910330 382703137 /nfs/dbraw/zinc/70/31/37/382703137.db2.gz QTKHSYZPVVRSFT-OAHLLOKOSA-N 0 1 258.365 2.838 20 30 CFEDMN C#CCCCC(=O)Nc1ccccc1N1CCN(CC)CC1 ZINC000192082862 382704614 /nfs/dbraw/zinc/70/46/14/382704614.db2.gz VZIMDNUETZYZFY-UHFFFAOYSA-N 0 1 299.418 2.571 20 30 CFEDMN C=CCN1CC[C@@H](NC2(c3ccc(Cl)cc3)CC2)C1=O ZINC000337177551 382772293 /nfs/dbraw/zinc/77/22/93/382772293.db2.gz JTBNUECRFSQEQN-CQSZACIVSA-N 0 1 290.794 2.706 20 30 CFEDMN C=CCN1CC[C@@H](N(C)CCc2ccc(CC)cc2)C1=O ZINC000337224719 382780252 /nfs/dbraw/zinc/78/02/52/382780252.db2.gz NSKBQFZOXZGKMQ-QGZVFWFLSA-N 0 1 286.419 2.510 20 30 CFEDMN N#Cc1ccc(OCCN2CCc3ccc(O)cc3C2)cc1 ZINC000533531242 382903296 /nfs/dbraw/zinc/90/32/96/382903296.db2.gz DDZQLHIHLHEFPE-UHFFFAOYSA-N 0 1 294.354 2.701 20 30 CFEDMN C=CCOc1ccc(CN[C@@H](C)c2cn[nH]c2)cc1 ZINC000229881735 382853850 /nfs/dbraw/zinc/85/38/50/382853850.db2.gz LNNKLTNETMCNIJ-LBPRGKRZSA-N 0 1 257.337 2.825 20 30 CFEDMN C=CCCOCCNCc1cn2cc(Cl)ccc2n1 ZINC000229880269 382854016 /nfs/dbraw/zinc/85/40/16/382854016.db2.gz GGNOFLQNEMPFPD-UHFFFAOYSA-N 0 1 279.771 2.670 20 30 CFEDMN CC[C@H](C)[C@H]1C[N@H+](CCCC#N)CCN1CCCC#N ZINC000337981582 382887739 /nfs/dbraw/zinc/88/77/39/382887739.db2.gz SRCAUDKIFOUFOH-JKSUJKDBSA-N 0 1 276.428 2.626 20 30 CFEDMN C=C(C)CN1Cc2ccccc2[C@H](C(=O)OCC)C1 ZINC000441131718 382897263 /nfs/dbraw/zinc/89/72/63/382897263.db2.gz ZNMUFTMPTMWKFG-OAHLLOKOSA-N 0 1 259.349 2.725 20 30 CFEDMN CC(C#N)C(=O)N[C@H](CCC(C)(C)C)C(=O)OC(C)(C)C ZINC000456239163 382955380 /nfs/dbraw/zinc/95/53/80/382955380.db2.gz VXMJNKYXEWQVHZ-VXGBXAGGSA-N 0 1 296.411 2.799 20 30 CFEDMN C=CCN(CC=C)Cc1ccc(-n2cncn2)c(F)c1 ZINC000536622984 382955888 /nfs/dbraw/zinc/95/58/88/382955888.db2.gz WERCYQLXNFEPPL-UHFFFAOYSA-N 0 1 272.327 2.580 20 30 CFEDMN N#CC1(CNC2(c3ccccc3)CCOCC2)CC1 ZINC000538353516 382959403 /nfs/dbraw/zinc/95/94/03/382959403.db2.gz ICJBTETTZDRJDU-UHFFFAOYSA-N 0 1 256.349 2.586 20 30 CFEDMN CCN(C[C@H](C)C#N)C[C@H]1CCN(C(=O)c2ccccc2)C1 ZINC000338238089 382959585 /nfs/dbraw/zinc/95/95/85/382959585.db2.gz XYJNSUFFUGRHDL-HZPDHXFCSA-N 0 1 299.418 2.630 20 30 CFEDMN C=C(C)CN1CC[C@H](OC)C[C@H]1CNC(=O)OC(C)(C)C ZINC000495103896 382961614 /nfs/dbraw/zinc/96/16/14/382961614.db2.gz GXNWRBXARZJUES-KBPBESRZSA-N 0 1 298.427 2.567 20 30 CFEDMN C=C(CC)CN1CCC[C@H](OCC(F)(F)F)C1 ZINC000540201903 382962049 /nfs/dbraw/zinc/96/20/49/382962049.db2.gz APMXVVIOTAVDQZ-NSHDSACASA-N 0 1 251.292 2.996 20 30 CFEDMN C[C@@H]1C[C@H](C)N(Cc2nnc(-c3cccc(C#N)c3)o2)C1 ZINC000441427731 382914185 /nfs/dbraw/zinc/91/41/85/382914185.db2.gz HUWHUHXORHDCKB-NEPJUHHUSA-N 0 1 282.347 2.839 20 30 CFEDMN CC(C)(C)OC(=O)NCC1CCN(CC2(C#N)CC2)CC1 ZINC000494607923 382914506 /nfs/dbraw/zinc/91/45/06/382914506.db2.gz ODRNLGDXTWZPRF-UHFFFAOYSA-N 0 1 293.411 2.527 20 30 CFEDMN CC[C@@H]1CCN(Cc2cccc(C(=O)OC)c2C#N)C1 ZINC000534472266 382931831 /nfs/dbraw/zinc/93/18/31/382931831.db2.gz KUKRRPYRVYKGJG-GFCCVEGCSA-N 0 1 272.348 2.577 20 30 CFEDMN C=C1CCN(C[C@H]2CN(c3ccccc3)CCO2)CC1 ZINC000578999769 382973507 /nfs/dbraw/zinc/97/35/07/382973507.db2.gz DZUKNOSASREYBB-KRWDZBQOSA-N 0 1 272.392 2.544 20 30 CFEDMN COc1cc(C#N)ccc1CN1CCC(CC#N)CC1 ZINC000543807797 382973569 /nfs/dbraw/zinc/97/35/69/382973569.db2.gz ONENXHXKBXEZOH-UHFFFAOYSA-N 0 1 269.348 2.693 20 30 CFEDMN CCc1oc(C(=O)OC)cc1CN1CCC(CC#N)CC1 ZINC000541952859 382967566 /nfs/dbraw/zinc/96/75/66/382967566.db2.gz XGUGSRGAVLZDAL-UHFFFAOYSA-N 0 1 290.363 2.754 20 30 CFEDMN C[C@@H](c1ccccc1)N(C)C(=O)CN1CCC(CC#N)CC1 ZINC000542879815 382970703 /nfs/dbraw/zinc/97/07/03/382970703.db2.gz WKYFYXVVWVTAER-HNNXBMFYSA-N 0 1 299.418 2.832 20 30 CFEDMN C=CCC[C@H](O)CN1C[C@H](C)O[C@@H](c2ccccc2)C1 ZINC000245988130 383056822 /nfs/dbraw/zinc/05/68/22/383056822.db2.gz FSCODNZUXHOUEI-BHYGNILZSA-N 0 1 275.392 2.776 20 30 CFEDMN CCN(C[C@H](C)C#N)CC1(CNC(=O)OC(C)(C)C)CC1 ZINC000496256804 383080628 /nfs/dbraw/zinc/08/06/28/383080628.db2.gz UTZXKRIBPCAZTP-CYBMUJFWSA-N 0 1 295.427 2.773 20 30 CFEDMN N#CCC[C@H](C#N)CN1CC[C@H](c2ccccc2)C1 ZINC000246560981 383081349 /nfs/dbraw/zinc/08/13/49/383081349.db2.gz KMVKQLGGTHXNLS-ZBFHGGJFSA-N 0 1 253.349 2.919 20 30 CFEDMN N#CCC[C@H](C#N)CN1CC[C@@H](c2ccccc2)C1 ZINC000246560972 383081489 /nfs/dbraw/zinc/08/14/89/383081489.db2.gz KMVKQLGGTHXNLS-GDBMZVCRSA-N 0 1 253.349 2.919 20 30 CFEDMN C=CCCC[C@H](C)[N@H+]1CCSC[C@H]1CC(=O)[O-] ZINC000583268404 383089247 /nfs/dbraw/zinc/08/92/47/383089247.db2.gz OOLVAVWTSLSDOB-NWDGAFQWSA-N 0 1 257.399 2.623 20 30 CFEDMN CC[C@]1(C)CCCN(CC(=O)N[C@](C)(C#N)C(C)C)C1 ZINC000246815366 383107760 /nfs/dbraw/zinc/10/77/60/383107760.db2.gz ADLKCRDSEANRDU-HZPDHXFCSA-N 0 1 279.428 2.553 20 30 CFEDMN N#Cc1ccc(CN2CC[C@H]3OCCC[C@H]3C2)c(F)c1 ZINC000246812629 383108109 /nfs/dbraw/zinc/10/81/09/383108109.db2.gz RXPFUUVQJQEKEH-GOEBONIOSA-N 0 1 274.339 2.698 20 30 CFEDMN C[C@H]1CCN(Cc2ccccc2C#N)C[C@H]1n1ccnc1 ZINC000247452395 383173868 /nfs/dbraw/zinc/17/38/68/383173868.db2.gz JHONGLBOUQTFHH-WMLDXEAASA-N 0 1 280.375 2.838 20 30 CFEDMN C=C(C)C[N@H+](CC)[C@@H](C(=O)[O-])c1cc(OC)cc(OC)c1 ZINC000565662731 383180941 /nfs/dbraw/zinc/18/09/41/383180941.db2.gz KFHACWPUKIXATI-OAHLLOKOSA-N 0 1 293.363 2.728 20 30 CFEDMN C=C(C)CN(Cc1ccc(CO)o1)[C@H]1CC[C@H](C#N)C1 ZINC000339192447 383182007 /nfs/dbraw/zinc/18/20/07/383182007.db2.gz FKHXYPZLDXRXEJ-KBPBESRZSA-N 0 1 274.364 2.842 20 30 CFEDMN Cc1n[nH]c(C(C)C)c1C(=O)NCc1ccc(CC#N)cc1 ZINC000565836136 383182077 /nfs/dbraw/zinc/18/20/77/383182077.db2.gz OYGMDOQVXJYSHA-UHFFFAOYSA-N 0 1 296.374 2.838 20 30 CFEDMN C=C(C)C[N@H+](CC)Cc1ccc(F)cc1C(=O)[O-] ZINC000566359844 383185975 /nfs/dbraw/zinc/18/59/75/383185975.db2.gz YNKMCVYHIVQOLH-UHFFFAOYSA-N 0 1 251.301 2.922 20 30 CFEDMN C=CCOCC[N@@H+]1C[C@@H](C2CCCCC2)C[C@H]1C(=O)[O-] ZINC000566510408 383188182 /nfs/dbraw/zinc/18/81/82/383188182.db2.gz QPIXOCRQRNMMGV-GJZGRUSLSA-N 0 1 281.396 2.544 20 30 CFEDMN CC1(CN2CCN([C@@H](C#N)c3ccccc3)CC2)CC1 ZINC000562361047 383156728 /nfs/dbraw/zinc/15/67/28/383156728.db2.gz GHNRYOFBYGXZRY-INIZCTEOSA-N 0 1 269.392 2.669 20 30 CFEDMN CN(CCCSCC#N)Cc1cc(C(C)(C)C)n[nH]1 ZINC000562493330 383158765 /nfs/dbraw/zinc/15/87/65/383158765.db2.gz GSOOGYTVZSHYOH-UHFFFAOYSA-N 0 1 280.441 2.786 20 30 CFEDMN C[C@H](C(=O)Nc1ccccc1C#N)N1CC[C@@H](C)[C@H]1C ZINC000248345644 383227594 /nfs/dbraw/zinc/22/75/94/383227594.db2.gz MZWMZYJYMHWQKH-JHJVBQTASA-N 0 1 271.364 2.616 20 30 CFEDMN N#CCC[C@@H](C#N)CN[C@H]1CCCN(c2ccccc2)C1 ZINC000519793409 383235013 /nfs/dbraw/zinc/23/50/13/383235013.db2.gz PSEQTECUEWLRRA-HOTGVXAUSA-N 0 1 282.391 2.689 20 30 CFEDMN CC(C)[C@]1(CO)CCCN(Cc2cccc(C#N)c2F)C1 ZINC000339706981 383292595 /nfs/dbraw/zinc/29/25/95/383292595.db2.gz RVNUQWOKOQZOIE-QGZVFWFLSA-N 0 1 290.382 2.928 20 30 CFEDMN C=CCCC[N@H+](C)[C@@H](C(=O)[O-])c1cccc(OC)c1 ZINC000634691150 383322598 /nfs/dbraw/zinc/32/25/98/383322598.db2.gz BEPHCTOLAZESMM-CQSZACIVSA-N 0 1 263.337 2.719 20 30 CFEDMN C=CCN(Cc1ccccc1F)C[C@H](O)CCC ZINC000450293737 383388792 /nfs/dbraw/zinc/38/87/92/383388792.db2.gz ZBGWWMASSKCLIV-CQSZACIVSA-N 0 1 251.345 2.975 20 30 CFEDMN C[C@@H]1CN(Cc2ccccc2)CCN1CC1(C#N)CCC1 ZINC000450392360 383393392 /nfs/dbraw/zinc/39/33/92/383393392.db2.gz OOMMSWOVJADJNS-MRXNPFEDSA-N 0 1 283.419 2.887 20 30 CFEDMN C=CCCCN(C)Cc1ccn(CC(F)(F)F)n1 ZINC000450418832 383400460 /nfs/dbraw/zinc/40/04/60/383400460.db2.gz GJZSOXFYTWYVJI-UHFFFAOYSA-N 0 1 261.291 2.843 20 30 CFEDMN O=C(N[C@@H]1CCc2nc[nH]c2C1)[C@H]1CC(=O)c2ccccc21 ZINC000329604088 296346829 /nfs/dbraw/zinc/34/68/29/296346829.db2.gz LPAGIFPJLOXZKY-MFKMUULPSA-N 0 1 295.342 2.594 20 30 CFEDMN C=CC[N@@H+](Cc1cccc([N+](=O)[O-])c1)[C@H](CCC)C(=O)[O-] ZINC000568061649 383351545 /nfs/dbraw/zinc/35/15/45/383351545.db2.gz MUICJHYFUALEGR-CQSZACIVSA-N 0 1 292.335 2.836 20 30 CFEDMN C=C[C@@H]1OCC[C@H]1NCc1ccc(F)cc1Cl ZINC000449517346 383351754 /nfs/dbraw/zinc/35/17/54/383351754.db2.gz FLXMHAKIBJEWMN-OLZOCXBDSA-N 0 1 255.720 2.912 20 30 CFEDMN C=CCCN(C)CC(=O)N[C@H](C)c1ccc(CC)cc1 ZINC000467298038 383352589 /nfs/dbraw/zinc/35/25/89/383352589.db2.gz STPQOSPSFFPASM-CQSZACIVSA-N 0 1 274.408 2.934 20 30 CFEDMN CC(C)(CCC#N)CN1CC[S@](=O)C(C)(C)CC1 ZINC000449572272 383356790 /nfs/dbraw/zinc/35/67/90/383356790.db2.gz MTWCAVJMICDFHD-SFHVURJKSA-N 0 1 270.442 2.549 20 30 CFEDMN CCOc1ccccc1NC(=O)CCN[C@H](CC)CC#N ZINC000568181231 383369549 /nfs/dbraw/zinc/36/95/49/383369549.db2.gz NYRLUHKBHWLAQG-CYBMUJFWSA-N 0 1 289.379 2.696 20 30 CFEDMN C=CCCCCN1CC[N@H+](CCOC)[C@@H](CCC)C1 ZINC000568183736 383371313 /nfs/dbraw/zinc/37/13/13/383371313.db2.gz WDKBZBQOUVVJLW-INIZCTEOSA-N 0 1 268.445 2.775 20 30 CFEDMN C=CC(C)(C)C(=O)NCc1nc2ccc(F)cc2[nH]1 ZINC000450001027 383376492 /nfs/dbraw/zinc/37/64/92/383376492.db2.gz WYILAGBBXIDLAL-UHFFFAOYSA-N 0 1 261.300 2.530 20 30 CFEDMN C=CCC[C@H](O)CN1CCC[C@@H](C)[C@@H]1C(=O)OC(C)(C)C ZINC000425525086 383383497 /nfs/dbraw/zinc/38/34/97/383383497.db2.gz SNNYQRQUYALGMM-QLFBSQMISA-N 0 1 297.439 2.756 20 30 CFEDMN C=CCC[C@H](O)CN1CCC[C@H](C)[C@H]1C(=O)OC(C)(C)C ZINC000425525085 383384064 /nfs/dbraw/zinc/38/40/64/383384064.db2.gz SNNYQRQUYALGMM-KKUMJFAQSA-N 0 1 297.439 2.756 20 30 CFEDMN CN(Cc1cccc(F)c1C#N)C[C@H]1CCCC[C@@H]1O ZINC000428317540 383451043 /nfs/dbraw/zinc/45/10/43/383451043.db2.gz CUVRBWGSZVDHQU-CJNGLKHVSA-N 0 1 276.355 2.680 20 30 CFEDMN CCCN(C[C@@H]1CCCCO1)CC1(C#N)CCC1 ZINC000450552782 383457956 /nfs/dbraw/zinc/45/79/56/383457956.db2.gz INJYUCCAVPGWNH-AWEZNQCLSA-N 0 1 250.386 2.961 20 30 CFEDMN Cc1nn(-c2ccccc2)cc1CCCNCCC#N ZINC000568991595 383458258 /nfs/dbraw/zinc/45/82/58/383458258.db2.gz SSCZKXRXCBDIRD-UHFFFAOYSA-N 0 1 268.364 2.617 20 30 CFEDMN C[C@@H]1CC[C@](CO)(N(C)Cc2cccc(F)c2C#N)C1 ZINC000428443764 383473877 /nfs/dbraw/zinc/47/38/77/383473877.db2.gz AHTAUIFVRQBCAT-WBMJQRKESA-N 0 1 276.355 2.680 20 30 CFEDMN C[C@H](NCC1(C#N)CCC1)c1ccc(-n2cncn2)cc1 ZINC000450664110 383480437 /nfs/dbraw/zinc/48/04/37/383480437.db2.gz UJALCYOCTICUCX-ZDUSSCGKSA-N 0 1 281.363 2.612 20 30 CFEDMN CO[C@]1(C)C[C@@H](N(C)CC2(C#N)CCC2)C1(C)C ZINC000450456767 383417379 /nfs/dbraw/zinc/41/73/79/383417379.db2.gz YTXJUWJQJUCTLP-TZMCWYRMSA-N 0 1 250.386 2.816 20 30 CFEDMN C(#Cc1ccccc1)CN1CC[C@H](c2ccncc2)C1 ZINC000569706373 383528955 /nfs/dbraw/zinc/52/89/55/383528955.db2.gz NNCINGDIAYPJHZ-SFHVURJKSA-N 0 1 262.356 2.923 20 30 CFEDMN CC1(C)CN(C[C@@H](O)CC2(C#N)CC2)[C@@H]1c1ccncc1 ZINC000528561598 383577727 /nfs/dbraw/zinc/57/77/27/383577727.db2.gz UEMACTNGWNRRCO-LSDHHAIUSA-N 0 1 285.391 2.519 20 30 CFEDMN N#Cc1c(C(F)F)cccc1N1CC[C@H](c2nc[nH]n2)C1 ZINC000570175844 383579110 /nfs/dbraw/zinc/57/91/10/383579110.db2.gz MMRMODWRFGOILN-VIFPVBQESA-N 0 1 289.289 2.608 20 30 CFEDMN CC(C)(C)c1nc(CN2CCCc3cc(C#N)ccc32)n[nH]1 ZINC000570462056 383606026 /nfs/dbraw/zinc/60/60/26/383606026.db2.gz YYHWCZQDFAIQOS-UHFFFAOYSA-N 0 1 295.390 2.927 20 30 CFEDMN C=CCN(CCc1ccccc1)C(=O)[C@@H]1C[C@H]1c1cnc[nH]1 ZINC000635442892 383554857 /nfs/dbraw/zinc/55/48/57/383554857.db2.gz BUNQWMKAWIRNOA-HZPDHXFCSA-N 0 1 295.386 2.771 20 30 CFEDMN C=C[C@H]1CCCCN1CC(=O)N1CCCC[C@@H]1CC ZINC000489437180 383618663 /nfs/dbraw/zinc/61/86/63/383618663.db2.gz WLWAQRAZTYTBBI-GJZGRUSLSA-N 0 1 264.413 2.818 20 30 CFEDMN C=CC[N@H+](Cc1ccc(OC)cc1)[C@H](C(=O)[O-])C1CC1 ZINC000570638749 383621645 /nfs/dbraw/zinc/62/16/45/383621645.db2.gz FUNDZZJYYCTXOM-HNNXBMFYSA-N 0 1 275.348 2.546 20 30 CFEDMN C[C@H]1O[C@@H](C)[C@@H](C)[C@H]1NCc1ccc(F)cc1C#N ZINC000528752146 383623498 /nfs/dbraw/zinc/62/34/98/383623498.db2.gz DTIIRKVAYBKHQP-JNIYBQFBSA-N 0 1 262.328 2.599 20 30 CFEDMN CCO[C@@H]1CC[N@@H+](CCOc2cccc(C#N)c2)C[C@H]1C ZINC000451527940 383635805 /nfs/dbraw/zinc/63/58/05/383635805.db2.gz HRUDURBTYUREMF-RHSMWYFYSA-N 0 1 288.391 2.684 20 30 CFEDMN COCCN(CC#Cc1ccccc1)[C@@H]1CCCSC1 ZINC000433181414 383756696 /nfs/dbraw/zinc/75/66/96/383756696.db2.gz JOEQCYNOVQVUCO-QGZVFWFLSA-N 0 1 289.444 2.882 20 30 CFEDMN N#CCCN(CC1CC1)C(=O)C(C#N)CCc1ccccc1 ZINC000433359428 383761554 /nfs/dbraw/zinc/76/15/54/383761554.db2.gz IGQPAIVEURULNK-KRWDZBQOSA-N 0 1 295.386 2.911 20 30 CFEDMN COC[C@H](CNCCC#N)c1ccc(Cl)cc1 ZINC000572236585 383764198 /nfs/dbraw/zinc/76/41/98/383764198.db2.gz ORJBBUABKBIIDA-LBPRGKRZSA-N 0 1 252.745 2.573 20 30 CFEDMN C=CCC[C@H](O)CN1CCCC[C@@H]1c1nccn1CC ZINC000280968427 195050966 /nfs/dbraw/zinc/05/09/66/195050966.db2.gz KIOQLMKGEMMXBV-LSDHHAIUSA-N 0 1 277.412 2.757 20 30 CFEDMN C=C[C@](C)(CC)C(=O)N1CCN(C)[C@@H](C(C)(C)C)C1 ZINC000640620292 383852435 /nfs/dbraw/zinc/85/24/35/383852435.db2.gz CJVPYBXPYDBFDH-CZUORRHYSA-N 0 1 266.429 2.777 20 30 CFEDMN C=CCN(CC=C)C(=O)c1cccc(Br)c1O ZINC000531351557 383855872 /nfs/dbraw/zinc/85/58/72/383855872.db2.gz QOQTZZYQTZERGC-UHFFFAOYSA-N 0 1 296.164 2.969 20 30 CFEDMN C=CCCC(=O)Nc1c(=O)[nH][nH]c1-c1ccccc1 ZINC000646465545 384002604 /nfs/dbraw/zinc/00/26/04/384002604.db2.gz MVFIXGHLTJWKTR-UHFFFAOYSA-N 0 1 257.293 2.687 20 30 CFEDMN COc1ccc(C#N)cc1CN1CCC[C@@H]2COCC[C@@H]21 ZINC000438524576 384015344 /nfs/dbraw/zinc/01/53/44/384015344.db2.gz RRFBWCNOTVABLN-ZBFHGGJFSA-N 0 1 286.375 2.568 20 30 CFEDMN C=C(C)CCn1cc([C@@H](N)c2ccc(Cl)cc2)nn1 ZINC000641069705 384044015 /nfs/dbraw/zinc/04/40/15/384044015.db2.gz MWJZNYQLJADHGM-AWEZNQCLSA-N 0 1 276.771 2.946 20 30 CFEDMN C=CCCCN1CCN(c2nc(F)c(F)cc2F)CC1 ZINC000277186509 384226226 /nfs/dbraw/zinc/22/62/26/384226226.db2.gz UIOKSICNEGIXKQ-UHFFFAOYSA-N 0 1 285.313 2.587 20 30 CFEDMN C[C@@H](c1ccc(C#N)cc1)N1CC[C@@](O)(C(F)(F)F)C1 ZINC000266879729 384251898 /nfs/dbraw/zinc/25/18/98/384251898.db2.gz WAVVUUXDCQQWDA-GWCFXTLKSA-N 0 1 284.281 2.618 20 30 CFEDMN CC#CC[C@H](CO)NCc1ccsc1C(F)(F)F ZINC000641768331 384335483 /nfs/dbraw/zinc/33/54/83/384335483.db2.gz ZMOLEMLSNOLHCR-SNVBAGLBSA-N 0 1 277.311 2.631 20 30 CFEDMN CC#CC[C@H](CO)NCc1oc2ccccc2c1Cl ZINC000641768124 384334683 /nfs/dbraw/zinc/33/46/83/384334683.db2.gz WYOJCPYGOCIDEX-LLVKDONJSA-N 0 1 277.751 2.950 20 30 CFEDMN CC#CCCCC(=O)N[C@H](C)c1n[nH]c([C@H](C)CC)n1 ZINC000277975127 384452839 /nfs/dbraw/zinc/45/28/39/384452839.db2.gz VGUMRBOYVVJLLO-VXGBXAGGSA-N 0 1 276.384 2.689 20 30 CFEDMN C#C[C@H](C)NCc1cccc(Br)c1OC ZINC000289398520 197328231 /nfs/dbraw/zinc/32/82/31/197328231.db2.gz OJFUQTQEKPSJQL-VIFPVBQESA-N 0 1 268.154 2.569 20 30 CFEDMN C#CCN1CCC(c2nc(-c3cc(F)ccc3C)no2)CC1 ZINC000278247155 384508954 /nfs/dbraw/zinc/50/89/54/384508954.db2.gz YRJZOHRGPVUQCA-UHFFFAOYSA-N 0 1 299.349 2.997 20 30 CFEDMN CCN(CCC#N)CC[C@@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC000497205719 262105713 /nfs/dbraw/zinc/10/57/13/262105713.db2.gz YRXBIWQAWVXZAI-CQSZACIVSA-N 0 1 295.427 2.869 20 30 CFEDMN C#CCN1CCC(c2nc(-c3ncccc3CC)no2)CC1 ZINC000278251385 384509222 /nfs/dbraw/zinc/50/92/22/384509222.db2.gz YYDJXYCIZOPXJV-UHFFFAOYSA-N 0 1 296.374 2.507 20 30 CFEDMN CO[C@]1(C)CCCN(Cc2cn3ccccc3c2C#N)C1 ZINC000279434004 384636026 /nfs/dbraw/zinc/63/60/26/384636026.db2.gz XYZWJNOQLREJPH-QGZVFWFLSA-N 0 1 283.375 2.812 20 30 CFEDMN C=CCC[C@@H](O)CN(C)Cc1cnn(-c2ccccc2)c1 ZINC000268680646 384645793 /nfs/dbraw/zinc/64/57/93/384645793.db2.gz XAJAEHNPIHSWEV-QGZVFWFLSA-N 0 1 285.391 2.631 20 30 CFEDMN C=CCC[C@@H](NC(=O)[C@H]1CCCN1C)c1ccccc1 ZINC000269405723 384756553 /nfs/dbraw/zinc/75/65/53/384756553.db2.gz NFYKRFBDYDQEFD-HZPDHXFCSA-N 0 1 272.392 2.904 20 30 CFEDMN N#Cc1ccncc1NC[C@H](c1ccco1)N1CCCC1 ZINC000269925745 384907133 /nfs/dbraw/zinc/90/71/33/384907133.db2.gz BSPKRRNBUXIROX-OAHLLOKOSA-N 0 1 282.347 2.795 20 30 CFEDMN C=CCOCCN[C@H](C)c1ccc(Br)cn1 ZINC000280154053 384907776 /nfs/dbraw/zinc/90/77/76/384907776.db2.gz QIRSBGQYSRZFCP-SNVBAGLBSA-N 0 1 285.185 2.697 20 30 CFEDMN C#CC[C@@H](NCc1ccnn1CC)c1ccccc1 ZINC000270252970 385031856 /nfs/dbraw/zinc/03/18/56/385031856.db2.gz UVNSJZGVYMVRQJ-MRXNPFEDSA-N 0 1 253.349 2.757 20 30 CFEDMN CC(C)[C@@H](C#N)NC(=O)C(F)(F)c1c(F)cccc1F ZINC000270263117 385035625 /nfs/dbraw/zinc/03/56/25/385035625.db2.gz WMQLXTFVEDDOMV-SNVBAGLBSA-N 0 1 288.244 2.721 20 30 CFEDMN C#CC[C@H](NC(=O)c1[nH]nc(C)c1C)c1ccccc1 ZINC000270548419 385143604 /nfs/dbraw/zinc/14/36/04/385143604.db2.gz YOLSOVARKVVGTR-AWEZNQCLSA-N 0 1 267.332 2.521 20 30 CFEDMN CC1=C(C)CN([C@H]2CCN(c3ccc(C#N)cc3)C2=O)CC1 ZINC000280781462 385151004 /nfs/dbraw/zinc/15/10/04/385151004.db2.gz QCHQLKRRYPHTPG-KRWDZBQOSA-N 0 1 295.386 2.706 20 30 CFEDMN CC(C)c1nc([C@H](C)NCc2ccc(C#N)cc2)n[nH]1 ZINC000270622163 385166719 /nfs/dbraw/zinc/16/67/19/385166719.db2.gz CMOCVBSROXXUPB-NSHDSACASA-N 0 1 269.352 2.651 20 30 CFEDMN CC1=CCCN([C@@H]2CCCN(c3ccc(C#N)cc3)C2=O)C1 ZINC000280953332 385179958 /nfs/dbraw/zinc/17/99/58/385179958.db2.gz XSQVBOWEAMEZQU-QGZVFWFLSA-N 0 1 295.386 2.706 20 30 CFEDMN Cc1cc(C#N)ccc1C(=O)N[C@H](C)c1n[nH]c(C(C)C)n1 ZINC000270737751 385209339 /nfs/dbraw/zinc/20/93/39/385209339.db2.gz KSPVYLJWNAHZTO-LLVKDONJSA-N 0 1 297.362 2.599 20 30 CFEDMN CC[C@@H]1CN(CC#Cc2ccc(C(F)(F)F)cc2)C[C@@H]1O ZINC000270941986 385276813 /nfs/dbraw/zinc/27/68/13/385276813.db2.gz RRBAVZHIRXPEGB-HIFRSBDPSA-N 0 1 297.320 2.760 20 30 CFEDMN CN(CCCC#N)[C@@H](CO)c1cccc(Br)c1 ZINC000270945756 385278445 /nfs/dbraw/zinc/27/84/45/385278445.db2.gz KJGVAISZOIICLE-ZDUSSCGKSA-N 0 1 297.196 2.718 20 30 CFEDMN C=CC[C@@H](CC)NC(=O)c1cccc2nc(C)[nH]c21 ZINC000282685907 385369962 /nfs/dbraw/zinc/36/99/62/385369962.db2.gz DPNUAGZIKUMPQL-LLVKDONJSA-N 0 1 257.337 2.956 20 30 CFEDMN COc1cc([C@@H](C)NCC#Cc2ccc(F)cc2)ccn1 ZINC000347649423 533113455 /nfs/dbraw/zinc/11/34/55/533113455.db2.gz QACOZAVKNHCEJP-CYBMUJFWSA-N 0 1 284.334 2.932 20 30 CFEDMN Cc1cc([C@H]2CCCN(Cc3ccc(C#N)o3)C2)n[nH]1 ZINC000283003779 385422444 /nfs/dbraw/zinc/42/24/44/385422444.db2.gz KVIIZCNSKJJYGF-LBPRGKRZSA-N 0 1 270.336 2.562 20 30 CFEDMN CC(C)(C)[C@@H]1CCN(Cc2ccccc2C#N)C[C@H]1O ZINC000272336848 385513511 /nfs/dbraw/zinc/51/35/11/385513511.db2.gz ODKFAEVOMDHYHZ-HZPDHXFCSA-N 0 1 272.392 2.787 20 30 CFEDMN C=C1CCN(C(=O)c2cccc3[nH]c(C)nc32)CC1 ZINC000283947992 385517011 /nfs/dbraw/zinc/51/70/11/385517011.db2.gz LBWGMPVLJHHXRZ-UHFFFAOYSA-N 0 1 255.321 2.664 20 30 CFEDMN C=CCS(=O)(=O)CCN[C@@H](C)c1cccc(Cl)c1 ZINC000272864438 385635761 /nfs/dbraw/zinc/63/57/61/385635761.db2.gz NOMKRDJJVMERCN-NSHDSACASA-N 0 1 287.812 2.591 20 30 CFEDMN Cc1ccc(C#N)c(N(C)CCC[N@@H+](C)Cc2ccco2)n1 ZINC000286635794 385672013 /nfs/dbraw/zinc/67/20/13/385672013.db2.gz VLLQVVSPUSDYKB-UHFFFAOYSA-N 0 1 298.390 2.813 20 30 CFEDMN Cc1cc(C2CCN(c3nccc(C)c3C#N)CC2)[nH]n1 ZINC000273205490 385673171 /nfs/dbraw/zinc/67/31/71/385673171.db2.gz FWPMIOAOXFLLFM-UHFFFAOYSA-N 0 1 281.363 2.677 20 30 CFEDMN C=CCCN(C)CC(=O)N1CCSc2ccccc21 ZINC000276348203 385988068 /nfs/dbraw/zinc/98/80/68/385988068.db2.gz DBIWZYHOMVKVJM-UHFFFAOYSA-N 0 1 276.405 2.633 20 30 CFEDMN C=CCC[C@@H](O)CNC1(c2nc(C)cs2)CCC1 ZINC000275172308 385951611 /nfs/dbraw/zinc/95/16/11/385951611.db2.gz LJRRVWLYMTXRNA-GFCCVEGCSA-N 0 1 266.410 2.747 20 30 CFEDMN C#CCC1(C(=O)N[C@H](C)Cc2cc(C)[nH]n2)CCCCC1 ZINC000276652296 386004351 /nfs/dbraw/zinc/00/43/51/386004351.db2.gz MPLMWCSHLMOMJH-CYBMUJFWSA-N 0 1 287.407 2.739 20 30 CFEDMN C=C(CC)CN1CCN(c2nccc(C(C)C)n2)CC1 ZINC000681035568 542402397 /nfs/dbraw/zinc/40/23/97/542402397.db2.gz UHVRHEKPTKPXGN-UHFFFAOYSA-N 0 1 274.412 2.688 20 30 CFEDMN CC[C@@H](C)c1nc([C@H](C)NC(=O)C#Cc2ccccc2)n[nH]1 ZINC000277101316 386129380 /nfs/dbraw/zinc/12/93/80/386129380.db2.gz QNVSVVUYYRZTBI-OLZOCXBDSA-N 0 1 296.374 2.547 20 30 CFEDMN C=C(CNC(=O)[C@@H]1CCCc2[nH]ncc21)c1ccccc1 ZINC000288082381 197000214 /nfs/dbraw/zinc/00/02/14/197000214.db2.gz GXXFHODHWSHIIV-CQSZACIVSA-N 0 1 281.359 2.659 20 30 CFEDMN C=CCN1CC[C@H]([N@@H+](C)Cc2cc(C)cc(C)c2)C1=O ZINC000281293769 195184641 /nfs/dbraw/zinc/18/46/41/195184641.db2.gz PEXYFIXTZWQHKG-INIZCTEOSA-N 0 1 272.392 2.522 20 30 CFEDMN C=CCN1CC[C@H](N(C)Cc2cc(C)cc(C)c2)C1=O ZINC000281293769 195184643 /nfs/dbraw/zinc/18/46/43/195184643.db2.gz PEXYFIXTZWQHKG-INIZCTEOSA-N 0 1 272.392 2.522 20 30 CFEDMN C=CC[C@H](CC)NC(=O)N[C@@H](C)c1n[nH]c(C(C)C)n1 ZINC000281297650 195186847 /nfs/dbraw/zinc/18/68/47/195186847.db2.gz JAVNNNAHMUZAIO-QWRGUYRKSA-N 0 1 279.388 2.643 20 30 CFEDMN C=C(CC)CN1CCC[C@@](OC)(C(F)(F)F)C1 ZINC000682039079 542509437 /nfs/dbraw/zinc/50/94/37/542509437.db2.gz FYLYSMNFPXEVGE-NSHDSACASA-N 0 1 251.292 2.996 20 30 CFEDMN CO[C@H]1CCN(Cc2ccc(C#N)cc2F)[C@H](C)C1 ZINC000281617297 195310572 /nfs/dbraw/zinc/31/05/72/195310572.db2.gz HCVREGYMGUVCPH-RISCZKNCSA-N 0 1 262.328 2.697 20 30 CFEDMN C=CCN1CC[C@H](N([C@@H](C)c2ccccc2)C2CC2)C1=O ZINC000281638256 195317111 /nfs/dbraw/zinc/31/71/11/195317111.db2.gz BVGQACLMNJNDOS-YOEHRIQHSA-N 0 1 284.403 2.999 20 30 CFEDMN Cc1cc(CN2CCC(C)(C#N)CC2)ccc1C#N ZINC000336628147 533594604 /nfs/dbraw/zinc/59/46/04/533594604.db2.gz YTDKWESYNHANOA-UHFFFAOYSA-N 0 1 253.349 2.992 20 30 CFEDMN C=C(C)[C@H](CO)N1CCC(C(=O)c2ccc(F)cc2)CC1 ZINC000684002941 542756147 /nfs/dbraw/zinc/75/61/47/542756147.db2.gz PUVDXBXKIHHDHU-INIZCTEOSA-N 0 1 291.366 2.657 20 30 CFEDMN CCOC1CCN(Cc2ccc(C#N)cc2OC)CC1 ZINC000179656661 393469523 /nfs/dbraw/zinc/46/95/23/393469523.db2.gz DZKLZFZMQBLHKV-UHFFFAOYSA-N 0 1 274.364 2.568 20 30 CFEDMN CCN1CCC[C@H](NC(=O)c2oc(C3CC3)nc2C)C1 ZINC000329519581 393540229 /nfs/dbraw/zinc/54/02/29/393540229.db2.gz OBKDNEXLXUOJAG-LBPRGKRZSA-N 0 1 277.368 2.649 20 30 CFEDMN Cc1cc(C)n([C@H](C)C(=O)NCCN2CC=C(C)CC2)n1 ZINC000329505890 393540670 /nfs/dbraw/zinc/54/06/70/393540670.db2.gz AKTRLCIUEZUBQT-OAHLLOKOSA-N 0 1 290.411 2.669 20 30 CFEDMN CC[C@@H]1CN(Cc2ccc(C#N)cc2C)C[C@H](C)O1 ZINC000186228077 393541427 /nfs/dbraw/zinc/54/14/27/393541427.db2.gz IQVMWSJGGYBXBH-XJKSGUPXSA-N 0 1 258.365 2.866 20 30 CFEDMN O=C(N[C@@H]1CCc2nc[nH]c2C1)[C@@H]1CCOc2ccccc21 ZINC000329631474 393544723 /nfs/dbraw/zinc/54/47/23/393544723.db2.gz VXEHSJPUXLIDGJ-DGCLKSJQSA-N 0 1 297.358 2.790 20 30 CFEDMN CC#CCN[C@H]1CCOc2c(Br)cccc21 ZINC000309607542 393517091 /nfs/dbraw/zinc/51/70/91/393517091.db2.gz LSHNTDMBMRXDNN-LBPRGKRZSA-N 0 1 280.165 2.886 20 30 CFEDMN COc1ccc(CNCc2cccc(C#N)c2)c(OC)c1 ZINC000037501715 393531842 /nfs/dbraw/zinc/53/18/42/393531842.db2.gz LUCZUKNMWJGFKA-UHFFFAOYSA-N 0 1 282.343 2.865 20 30 CFEDMN COc1cccc(CNCc2cccc(C#N)c2)c1OC ZINC000037501716 393532452 /nfs/dbraw/zinc/53/24/52/393532452.db2.gz RMOZETYDXHKOBV-UHFFFAOYSA-N 0 1 282.343 2.865 20 30 CFEDMN [O-]C(NCCn1cccn1)=[NH+][C@@H]1CC[C@@H]2CCCC[C@H]2C1 ZINC000329447800 393534783 /nfs/dbraw/zinc/53/47/83/393534783.db2.gz LJVCRCQNCXDESB-SOUVJXGZSA-N 0 1 290.411 2.746 20 30 CFEDMN [O-]C(N[C@@H]1CC[C@@H]2CCCC[C@H]2C1)=[NH+]CCn1cccn1 ZINC000329447800 393534789 /nfs/dbraw/zinc/53/47/89/393534789.db2.gz LJVCRCQNCXDESB-SOUVJXGZSA-N 0 1 290.411 2.746 20 30 CFEDMN CC1CCC(C)([NH+]=C([O-])N[C@@H]2CCn3ccnc3C2)CC1 ZINC000330277020 393553008 /nfs/dbraw/zinc/55/30/08/393553008.db2.gz NRVBZAAHYFPLDX-MFOWVQHXSA-N 0 1 290.411 2.670 20 30 CFEDMN COc1ccc(C)cc1NC(=O)c1ccc(C#N)c(O)c1 ZINC000188215551 393562557 /nfs/dbraw/zinc/56/25/57/393562557.db2.gz LOYQAINAPOIWJQ-UHFFFAOYSA-N 0 1 282.299 2.833 20 30 CFEDMN Cc1ccc2nc([C@@H]3CCCN(C(=O)[C@H](C)C#N)C3)[nH]c2c1 ZINC000334248952 393585425 /nfs/dbraw/zinc/58/54/25/393585425.db2.gz YJHOIKPQFIIKND-CHWSQXEVSA-N 0 1 296.374 2.737 20 30 CFEDMN COc1ccc(CN(C)Cc2ccnc(C#N)c2)cc1 ZINC000068765976 393635108 /nfs/dbraw/zinc/63/51/08/393635108.db2.gz UHJZGWDMPHUOGT-UHFFFAOYSA-N 0 1 267.332 2.594 20 30 CFEDMN C=C(C)C(C)(C)C(=O)N1CCC[C@H]2C[N@@H+](C)CC[C@@H]21 ZINC000335116599 393644438 /nfs/dbraw/zinc/64/44/38/393644438.db2.gz LOFXBQXCLNVOBO-KBPBESRZSA-N 0 1 264.413 2.531 20 30 CFEDMN C=CCCCN[C@H](C)c1ncc(Br)cn1 ZINC000336648993 393744570 /nfs/dbraw/zinc/74/45/70/393744570.db2.gz CQVVVHKEKVQTAH-SECBINFHSA-N 0 1 270.174 2.856 20 30 CFEDMN C[C@@H](C(=O)OC(C)(C)C)N(CCCCC#N)C1CC1 ZINC000411910560 393758665 /nfs/dbraw/zinc/75/86/65/393758665.db2.gz UTINTEHTVRFKKJ-LBPRGKRZSA-N 0 1 266.385 2.875 20 30 CFEDMN N#Cc1ccsc1C(=O)Nc1cc(C(F)(F)F)n[nH]1 ZINC000335902883 393706613 /nfs/dbraw/zinc/70/66/13/393706613.db2.gz IFEDCJDQRRQXOH-UHFFFAOYSA-N 0 1 286.238 2.614 20 30 CFEDMN C[C@H](Cc1ccc(Br)cc1)NCCC#N ZINC000225684877 393769008 /nfs/dbraw/zinc/76/90/08/393769008.db2.gz ILZZLJOJFMUMFL-SNVBAGLBSA-N 0 1 267.170 2.883 20 30 CFEDMN C[C@@H]1CCN(Cc2cc(C#N)cs2)C[C@H]1n1ccnc1 ZINC000245729124 393824912 /nfs/dbraw/zinc/82/49/12/393824912.db2.gz FACOMTLLLBHBAS-IUODEOHRSA-N 0 1 286.404 2.899 20 30 CFEDMN C=CCCOCCCCC(=O)N1CCN(C)C[C@H]1C(C)C ZINC000342874513 393872989 /nfs/dbraw/zinc/87/29/89/393872989.db2.gz SRFMTLPTIKINGN-INIZCTEOSA-N 0 1 296.455 2.548 20 30 CFEDMN CN(CC1(C#N)CC1)[C@H]1CCCN(c2ccccc2)C1 ZINC000343318596 393883533 /nfs/dbraw/zinc/88/35/33/393883533.db2.gz YLRJFCFSDHIMIM-INIZCTEOSA-N 0 1 269.392 2.891 20 30 CFEDMN COCCN(CCCc1ccccc1)CC1(C#N)CC1 ZINC000343319330 393884007 /nfs/dbraw/zinc/88/40/07/393884007.db2.gz ZMTDLVWNWZSPJW-UHFFFAOYSA-N 0 1 272.392 2.871 20 30 CFEDMN C=C(C)CN(CC)CC(=O)N(C)[C@H](C)CC(C)C ZINC000114712357 393901178 /nfs/dbraw/zinc/90/11/78/393901178.db2.gz UQUCRBJKDKMSSB-CQSZACIVSA-N 0 1 254.418 2.777 20 30 CFEDMN N#CCc1ccc(CN[C@@H](CCO)c2ccco2)cc1 ZINC000346170827 393922880 /nfs/dbraw/zinc/92/28/80/393922880.db2.gz AACFYRYMDBYLGU-HNNXBMFYSA-N 0 1 270.332 2.559 20 30 CFEDMN CCOC[C@@H](NCc1cccc(F)c1C#N)C(C)C ZINC000428950144 393924926 /nfs/dbraw/zinc/92/49/26/393924926.db2.gz ZRMMZXUCNBNBHL-OAHLLOKOSA-N 0 1 264.344 2.848 20 30 CFEDMN CCC[C@@]1(CO)CCCN1Cc1cccc(F)c1C#N ZINC000428965021 393927664 /nfs/dbraw/zinc/92/76/64/393927664.db2.gz PXOSIBQTOXXPJK-INIZCTEOSA-N 0 1 276.355 2.824 20 30 CFEDMN C[C@@H]1CC[C@@H](N(CCO)Cc2cccc(F)c2C#N)C1 ZINC000428973371 393928527 /nfs/dbraw/zinc/92/85/27/393928527.db2.gz YMGRVVOOZZUFHU-TZMCWYRMSA-N 0 1 276.355 2.680 20 30 CFEDMN CCC[C@@]1(NCc2cccc(F)c2C#N)CCOC1 ZINC000428984634 393929367 /nfs/dbraw/zinc/92/93/67/393929367.db2.gz SMCJQGFOJFJUPQ-OAHLLOKOSA-N 0 1 262.328 2.746 20 30 CFEDMN N#Cc1ccccc1/C=C1\Oc2cc(O)ccc2C1=O ZINC000120973538 393944830 /nfs/dbraw/zinc/94/48/30/393944830.db2.gz FRSUDZDFNDWYLO-CHHVJCJISA-N 0 1 263.252 2.880 20 30 CFEDMN Cc1ncccc1OC[C@H]1CCCN1Cc1ccc(C#N)o1 ZINC000418141960 394020341 /nfs/dbraw/zinc/02/03/41/394020341.db2.gz MGXZOUUTSFBQAL-CQSZACIVSA-N 0 1 297.358 2.898 20 30 CFEDMN C=CCC[C@@H](O)CN1CCc2cc(OC)c(F)cc2C1 ZINC000348792694 393958461 /nfs/dbraw/zinc/95/84/61/393958461.db2.gz CMDUGYMUVVLYHE-CQSZACIVSA-N 0 1 279.355 2.520 20 30 CFEDMN Cc1noc([C@H]2CCCN2CC(C)(C)CCC#N)n1 ZINC000348817805 393959142 /nfs/dbraw/zinc/95/91/42/393959142.db2.gz PUUXJGRQWBQYNE-GFCCVEGCSA-N 0 1 262.357 2.845 20 30 CFEDMN N#Cc1cc(Cl)ccc1NCCCCN1CCOCC1 ZINC000264061761 393966730 /nfs/dbraw/zinc/96/67/30/393966730.db2.gz DUOWGRQEJRCDHT-UHFFFAOYSA-N 0 1 293.798 2.736 20 30 CFEDMN CC(C)(C)CC[C@](C)([NH2+]Cc1nc(C#N)cs1)C(=O)[O-] ZINC000417575668 393977991 /nfs/dbraw/zinc/97/79/91/393977991.db2.gz GMXSIIHFUBOIRX-AWEZNQCLSA-N 0 1 295.408 2.774 20 30 CFEDMN CC1=C[C@H](C)CN([C@@H](C)C(=O)Nc2cccc(C#N)c2)C1 ZINC000430283596 393979339 /nfs/dbraw/zinc/97/93/39/393979339.db2.gz ZUJACCHLKUHCRG-JSGCOSHPSA-N 0 1 283.375 2.783 20 30 CFEDMN C[C@H]1CN(c2nc(C(F)(F)F)ccc2C#N)[C@@H](C)CN1C ZINC000351505381 394003966 /nfs/dbraw/zinc/00/39/66/394003966.db2.gz MTMWEWUCLPMMCM-UWVGGRQHSA-N 0 1 298.312 2.501 20 30 CFEDMN C#C[C@H](NC(=O)c1sccc1CN(C)C)C(C)(C)C ZINC000491454020 394051707 /nfs/dbraw/zinc/05/17/07/394051707.db2.gz VEABLHWMYNFHOL-LBPRGKRZSA-N 0 1 278.421 2.587 20 30 CFEDMN C#C[C@@H](C)N(C)Cc1c[nH]nc1-c1cccc(C)c1 ZINC000491695322 394056623 /nfs/dbraw/zinc/05/66/23/394056623.db2.gz XJWOOJTXTPPKLK-CYBMUJFWSA-N 0 1 253.349 2.839 20 30 CFEDMN N#Cc1cccc(OCCCN2CCC[C@@H]2c2cc[nH]n2)c1 ZINC000278761516 394062748 /nfs/dbraw/zinc/06/27/48/394062748.db2.gz XXNCJQZQNFDRTD-QGZVFWFLSA-N 0 1 296.374 2.887 20 30 CFEDMN C=CCN1CC[C@@H](N(Cc2cccs2)C(C)C)C1=O ZINC000281873681 394087218 /nfs/dbraw/zinc/08/72/18/394087218.db2.gz CKZQXQNJLKDCIJ-CQSZACIVSA-N 0 1 278.421 2.745 20 30 CFEDMN C=CCN(Cc1cccs1)C[C@H](O)COCC(C)C ZINC000357906535 394093273 /nfs/dbraw/zinc/09/32/73/394093273.db2.gz AORBYARSMQWLGY-AWEZNQCLSA-N 0 1 283.437 2.770 20 30 CFEDMN C=CCN1CC[C@H](N(CC)[C@H](C)c2ccc(C#N)cc2)C1=O ZINC000282052898 394116890 /nfs/dbraw/zinc/11/68/90/394116890.db2.gz RSMNDGQXFGIHBP-PBHICJAKSA-N 0 1 297.402 2.728 20 30 CFEDMN C=CCN1CC[C@H](NC(C)(C)c2ccc(F)c(F)c2)C1=O ZINC000282061132 394118101 /nfs/dbraw/zinc/11/81/01/394118101.db2.gz SECZBICBQITHML-AWEZNQCLSA-N 0 1 294.345 2.576 20 30 CFEDMN C=CCN(CCC#N)C(=O)[C@H]1CCCN1Cc1ccccc1 ZINC000359392745 394132643 /nfs/dbraw/zinc/13/26/43/394132643.db2.gz VAUXSKGQVKEPSN-QGZVFWFLSA-N 0 1 297.402 2.579 20 30 CFEDMN C=CCN(CCC#N)C(=O)CCc1nc2cccc(C)c2[nH]1 ZINC000359435894 394134033 /nfs/dbraw/zinc/13/40/33/394134033.db2.gz NCMOYJFDVWORTI-UHFFFAOYSA-N 0 1 296.374 2.732 20 30 CFEDMN C[C@@H]1CC[C@@]2(CCN([C@@H](C(N)=O)c3ccc(C#N)cc3)C2)C1 ZINC000359564190 394138178 /nfs/dbraw/zinc/13/81/78/394138178.db2.gz TYPQLJJOBOZAJH-MZMPZRCHSA-N 0 1 297.402 2.597 20 30 CFEDMN CCN1C[C@H](C)N(C(=O)/C=C/c2cccc(C#N)c2)[C@@H](C)C1 ZINC000493086850 394143921 /nfs/dbraw/zinc/14/39/21/394143921.db2.gz FMFCRSXMFWODFB-JJGIJDNGSA-N 0 1 297.402 2.513 20 30 CFEDMN COc1ccc(CNCc2ccc(C#N)s2)cc1 ZINC000135666351 394225416 /nfs/dbraw/zinc/22/54/16/394225416.db2.gz DVNACFGUZMTXRQ-UHFFFAOYSA-N 0 1 258.346 2.918 20 30 CFEDMN C[C@H]1CC[C@H](C[N@H+]2CCCN(c3ccc(C#N)cc3)CC2)O1 ZINC000365072155 394226435 /nfs/dbraw/zinc/22/64/35/394226435.db2.gz OPSNHFZBLQAGFR-MAUKXSAKSA-N 0 1 299.418 2.638 20 30 CFEDMN Cc1cccc(S(=O)(=O)Nc2cccc(C#N)c2)c1C#N ZINC000137196580 394238523 /nfs/dbraw/zinc/23/85/23/394238523.db2.gz UAVCOMRBJKEOQG-UHFFFAOYSA-N 0 1 297.339 2.539 20 30 CFEDMN C#CCCN1CCC[C@H]1c1nc2ccccc2n1C ZINC000366906744 394248936 /nfs/dbraw/zinc/24/89/36/394248936.db2.gz MQTLRFVTJSEWDP-HNNXBMFYSA-N 0 1 253.349 2.734 20 30 CFEDMN CC(C)C(=O)N1CCCN([C@@H](C)c2ccc(C#N)cc2)CC1 ZINC000155076695 394309438 /nfs/dbraw/zinc/30/94/38/394309438.db2.gz WZXMVWKNAGMVST-HNNXBMFYSA-N 0 1 299.418 2.810 20 30 CFEDMN N#Cc1ccc(CNc2ccc3nn[nH]c3c2)s1 ZINC000157581089 394347830 /nfs/dbraw/zinc/34/78/30/394347830.db2.gz UODMKZISMPHPLB-UHFFFAOYSA-N 0 1 255.306 2.503 20 30 CFEDMN N#Cc1ccc(CNc2ccc3n[nH]nc3c2)s1 ZINC000157581089 394347834 /nfs/dbraw/zinc/34/78/34/394347834.db2.gz UODMKZISMPHPLB-UHFFFAOYSA-N 0 1 255.306 2.503 20 30 CFEDMN CC1(C)[C@@H]2CN(CC(=O)N(CCC#N)c3ccccc3)C[C@@H]21 ZINC000172946194 394374574 /nfs/dbraw/zinc/37/45/74/394374574.db2.gz KCIXKVZGRXSLDW-IYBDPMFKSA-N 0 1 297.402 2.521 20 30 CFEDMN COC(=O)c1cccc(CN2CC[C@H](C)[C@@H](C)C2)c1C#N ZINC000535756068 394543189 /nfs/dbraw/zinc/54/31/89/394543189.db2.gz QPQFYPKBAUKQFW-STQMWFEESA-N 0 1 286.375 2.823 20 30 CFEDMN N#Cc1cnc(CNC2(Cc3ccccc3)CCCC2)nc1 ZINC000557259642 395033939 /nfs/dbraw/zinc/03/39/39/395033939.db2.gz UHHKQJNSZHCXLN-UHFFFAOYSA-N 0 1 292.386 2.993 20 30 CFEDMN C=CCOCCN[C@H]1CCc2cc(F)c(F)c(F)c21 ZINC000648509893 395177767 /nfs/dbraw/zinc/17/77/67/395177767.db2.gz HSBLRVNLVPOPMC-NSHDSACASA-N 0 1 271.282 2.883 20 30 CFEDMN C=C(C)[C@H](CO)N1CCCN(c2ccccc2Cl)CC1 ZINC000649601282 395536679 /nfs/dbraw/zinc/53/66/79/395536679.db2.gz NPRTWKDUZVRWQG-INIZCTEOSA-N 0 1 294.826 2.789 20 30 CFEDMN C=C(C)CN(CC)C(=O)[C@H](C)N1CCC[C@@H](OC(C)C)C1 ZINC000649699193 395554609 /nfs/dbraw/zinc/55/46/09/395554609.db2.gz KTCMGOCPWUISEU-JKSUJKDBSA-N 0 1 296.455 2.689 20 30 CFEDMN C=CCN(CC=C)C(=O)[C@H](C)N1CCC2(CC2(F)F)CC1 ZINC000649776741 395569825 /nfs/dbraw/zinc/56/98/25/395569825.db2.gz VIOGRVLZMHCHEF-ZDUSSCGKSA-N 0 1 298.377 2.697 20 30 CFEDMN CC(C)CCN(C)[C@H](C)C(=O)Nc1ccccc1C#N ZINC000048349335 397589439 /nfs/dbraw/zinc/58/94/39/397589439.db2.gz XVCTUTOEEXZFSJ-CYBMUJFWSA-N 0 1 273.380 2.863 20 30 CFEDMN C=C(C)CC[N@H+]1CC[C@H](C(=O)[O-])[C@H]2CCCC[C@@H]21 ZINC000656766655 413194990 /nfs/dbraw/zinc/19/49/90/413194990.db2.gz PGKNYYMVCDBTGO-RDBSUJKOSA-N 0 1 251.370 2.918 20 30 CFEDMN C[C@H]1[C@H](CO)CCN1Cc1ccc(C#N)cc1C(F)(F)F ZINC000356385535 155248741 /nfs/dbraw/zinc/24/87/41/155248741.db2.gz FGXDSCGKLFNAGF-GWCFXTLKSA-N 0 1 298.308 2.780 20 30 CFEDMN Cc1nsc(NCCN2CCCC(C)(C)C2)c1C#N ZINC000343088850 154111383 /nfs/dbraw/zinc/11/13/83/154111383.db2.gz BNBILNUGYLRSBR-UHFFFAOYSA-N 0 1 278.425 2.857 20 30 CFEDMN C[C@H](NCCOC(F)(F)F)c1ccc(C#N)cc1F ZINC000348029021 154292249 /nfs/dbraw/zinc/29/22/49/154292249.db2.gz HHNCDVFLUNJHGN-QMMMGPOBSA-N 0 1 276.233 2.884 20 30 CFEDMN Cc1cc(-c2noc(-c3cc(C#N)c[nH]3)n2)cc2nc[nH]c21 ZINC000356950812 155437271 /nfs/dbraw/zinc/43/72/71/155437271.db2.gz PVEBVMUWIFNHEH-UHFFFAOYSA-N 0 1 290.286 2.788 20 30 CFEDMN Cn1cc(-c2nc3ccc(C#N)cc3[nH]2)c(C(F)F)n1 ZINC000359153809 156006875 /nfs/dbraw/zinc/00/68/75/156006875.db2.gz GVDPDYQLOJEILP-UHFFFAOYSA-N 0 1 273.246 2.773 20 30 CFEDMN N#Cc1cc(F)ccc1CN1CC[C@]2(C1)CCCOC2 ZINC000367073724 156277043 /nfs/dbraw/zinc/27/70/43/156277043.db2.gz MDHQOALKVYTHDP-INIZCTEOSA-N 0 1 274.339 2.700 20 30 CFEDMN COc1cc(C#N)ccc1CN1CCCOC(C)(C)C1 ZINC000367256144 156303994 /nfs/dbraw/zinc/30/39/94/156303994.db2.gz SPLPBLFXSDVVIT-UHFFFAOYSA-N 0 1 274.364 2.568 20 30 CFEDMN C[C@H](N[C@H]1CCCN(c2ccccc2C#N)C1)c1ncc[nH]1 ZINC000367533422 156345028 /nfs/dbraw/zinc/34/50/28/156345028.db2.gz KRTIYDNEMCBEFK-ZFWWWQNUSA-N 0 1 295.390 2.601 20 30 CFEDMN Cc1ccc(CN2CC[C@@H](Oc3ccc(C#N)cn3)C2)o1 ZINC000367782742 156389288 /nfs/dbraw/zinc/38/92/88/156389288.db2.gz UNPBUYPYIBDVAH-OAHLLOKOSA-N 0 1 283.331 2.508 20 30 CFEDMN C=CCNc1nnc(S[C@@H](C)c2n[nH]c(CC)n2)s1 ZINC000657225954 413346323 /nfs/dbraw/zinc/34/63/23/413346323.db2.gz HWMBCOWIYXANLS-ZETCQYMHSA-N 0 1 296.425 2.670 20 30 CFEDMN C=CCN1C(=O)N=NC1SC[C@H](CC)CC(F)F ZINC000657251485 413365532 /nfs/dbraw/zinc/36/55/32/413365532.db2.gz DBMRYWVRKFMNHF-MRVPVSSYSA-N 0 1 277.340 2.943 20 30 CFEDMN C=CCCn1cc(CN2CC[C@@H](CC(C)C)C2)nn1 ZINC000653562087 413371057 /nfs/dbraw/zinc/37/10/57/413371057.db2.gz CNYGQUYLWOHMRO-AWEZNQCLSA-N 0 1 262.401 2.722 20 30 CFEDMN CCN1C[C@H](C)N(C(=O)Nc2cccc(C#N)c2)C[C@@H]1C ZINC000345873992 162268641 /nfs/dbraw/zinc/26/86/41/162268641.db2.gz KNOAWDLQRMSFNE-STQMWFEESA-N 0 1 286.379 2.505 20 30 CFEDMN CC(C)CN(Cc1ccnn1C)Cc1ccc(C#N)cc1 ZINC000350629064 163095849 /nfs/dbraw/zinc/09/58/49/163095849.db2.gz LFDGDJNRCYGZFR-UHFFFAOYSA-N 0 1 282.391 2.950 20 30 CFEDMN CC(C)C[C@@H]1C[C@@H](NCc2nc(C#N)cs2)CCO1 ZINC000352810737 163238648 /nfs/dbraw/zinc/23/86/48/163238648.db2.gz OPQDWOWHKMIBQG-WCQYABFASA-N 0 1 279.409 2.698 20 30 CFEDMN CC(C)C[C@H]1C[C@@H](NCc2nc(C#N)cs2)CCO1 ZINC000352810735 163239064 /nfs/dbraw/zinc/23/90/64/163239064.db2.gz OPQDWOWHKMIBQG-AAEUAGOBSA-N 0 1 279.409 2.698 20 30 CFEDMN C[C@H](NCc1nc(C#N)cs1)[C@@H]1COc2ccccc21 ZINC000352820410 163244141 /nfs/dbraw/zinc/24/41/41/163244141.db2.gz CTVJEEWHZBPUAY-GWCFXTLKSA-N 0 1 285.372 2.669 20 30 CFEDMN N#Cc1csc(CNCCCn2cnc3ccccc32)n1 ZINC000352836591 163247291 /nfs/dbraw/zinc/24/72/91/163247291.db2.gz VEEADDMZQIOAHF-UHFFFAOYSA-N 0 1 297.387 2.544 20 30 CFEDMN COc1cccc(CCCNCc2nc(C#N)cs2)c1 ZINC000352838434 163247534 /nfs/dbraw/zinc/24/75/34/163247534.db2.gz FHZRZCBRVHICBA-UHFFFAOYSA-N 0 1 287.388 2.746 20 30 CFEDMN COC1(CNCc2nc(C#N)cs2)CCC(C)CC1 ZINC000352956573 163277487 /nfs/dbraw/zinc/27/74/87/163277487.db2.gz ZNFBBCXSTCNFFV-UHFFFAOYSA-N 0 1 279.409 2.700 20 30 CFEDMN N#Cc1ccc2c(c1)[C@@H](N[C@H](CO)c1ccccc1)CC2 ZINC000353258643 163330071 /nfs/dbraw/zinc/33/00/71/163330071.db2.gz RIDMDRATRBJQKA-ZWKOTPCHSA-N 0 1 278.355 2.869 20 30 CFEDMN C=CCCOCCNC(=O)c1n[nH]c2ccc(Cl)cc21 ZINC000284266460 196016254 /nfs/dbraw/zinc/01/62/54/196016254.db2.gz MCRSIPOFEREXNF-UHFFFAOYSA-N 0 1 293.754 2.539 20 30 CFEDMN CN1CCN(Cc2ccc(C#N)o2)C[C@@H]1Cc1ccccc1 ZINC000284318972 196028660 /nfs/dbraw/zinc/02/86/60/196028660.db2.gz CMNHYEWTVPJDRY-INIZCTEOSA-N 0 1 295.386 2.510 20 30 CFEDMN C[C@@H](O)CN(CC#Cc1cccc(Cl)c1)C1CC1 ZINC000653901926 413579889 /nfs/dbraw/zinc/57/98/89/413579889.db2.gz GRRARPYGJKBTMZ-GFCCVEGCSA-N 0 1 263.768 2.537 20 30 CFEDMN C=CCCn1cc(CN[C@H]2CCO[C@@H](CC(C)C)C2)nn1 ZINC000657428644 413591868 /nfs/dbraw/zinc/59/18/68/413591868.db2.gz MEVAHFMVRQJPFL-HOCLYGCPSA-N 0 1 292.427 2.538 20 30 CFEDMN C=CC[C@@H]1CCCC[C@H]1NC(=O)NCC[N@H+](C)C1CC1 ZINC000660841612 413616075 /nfs/dbraw/zinc/61/60/75/413616075.db2.gz QLQNRJWCMAKFIW-UKRRQHHQSA-N 0 1 279.428 2.515 20 30 CFEDMN N#Cc1ccc(CN2CCC[C@](O)(C(F)(F)F)CC2)cc1 ZINC000285467541 196293282 /nfs/dbraw/zinc/29/32/82/196293282.db2.gz HHMJZANTBFVAPU-CQSZACIVSA-N 0 1 298.308 2.838 20 30 CFEDMN CCOC1CC2(C1)CCN(Cc1ccccc1C#N)C2 ZINC000285477015 196297075 /nfs/dbraw/zinc/29/70/75/196297075.db2.gz LCFACKPCVZDMCZ-UHFFFAOYSA-N 0 1 270.376 2.949 20 30 CFEDMN C=CCN(Cc1ccc(OC)c(F)c1)[C@H](C)COC ZINC000661241324 413840549 /nfs/dbraw/zinc/84/05/49/413840549.db2.gz VUAGZLAXKDRZNI-GFCCVEGCSA-N 0 1 267.344 2.857 20 30 CFEDMN C=CCN(CCOc1ccccc1C(C)=O)[C@H](C)COC ZINC000661245713 413845596 /nfs/dbraw/zinc/84/55/96/413845596.db2.gz DWDBUPVPHIEMSJ-CQSZACIVSA-N 0 1 291.391 2.791 20 30 CFEDMN C#CCN(CCO[C@H]1CCCCO1)Cc1ccccc1 ZINC000285529595 196317890 /nfs/dbraw/zinc/31/78/90/196317890.db2.gz FJHDZHUJWRYOSC-KRWDZBQOSA-N 0 1 273.376 2.665 20 30 CFEDMN C=CC[C@@H]1CCCN(Cc2nnc(C)n2C2CC2)C1 ZINC000661379206 413936891 /nfs/dbraw/zinc/93/68/91/413936891.db2.gz AEWYCCWIFYCOLE-CYBMUJFWSA-N 0 1 260.385 2.710 20 30 CFEDMN C=CC[C@@H]1CCCN(Cc2cc(=O)n3ccsc3n2)C1 ZINC000661381299 413940778 /nfs/dbraw/zinc/94/07/78/413940778.db2.gz ZSSUYWZBKVCRJO-GFCCVEGCSA-N 0 1 289.404 2.544 20 30 CFEDMN C=CC[C@H]1CCCN([C@H](C)c2nc(COC)no2)C1 ZINC000661383507 413942695 /nfs/dbraw/zinc/94/26/95/413942695.db2.gz DLGAVIYKINOJKC-NEPJUHHUSA-N 0 1 265.357 2.565 20 30 CFEDMN C=CC[C@@H]1CCCN(CC(=O)Nc2ccccc2OC)C1 ZINC000661379622 413945171 /nfs/dbraw/zinc/94/51/71/413945171.db2.gz FIZWEMJLCUPVRF-CQSZACIVSA-N 0 1 288.391 2.922 20 30 CFEDMN C=CC[C@H]1CCCN(C(=O)NCc2ccc3cncn3c2)C1 ZINC000661305359 413887349 /nfs/dbraw/zinc/88/73/49/413887349.db2.gz QUXVGPOLRUJPQC-AWEZNQCLSA-N 0 1 298.390 2.832 20 30 CFEDMN CN(CC#Cc1ccc(Cl)cc1)CC1=CCCOC1 ZINC000661655366 414112389 /nfs/dbraw/zinc/11/23/89/414112389.db2.gz PCCRJVIRUGEWHT-UHFFFAOYSA-N 0 1 275.779 2.970 20 30 CFEDMN COCC#CCN(Cc1ccccc1F)CC1CC1 ZINC000661791279 414222215 /nfs/dbraw/zinc/22/22/15/414222215.db2.gz GNMFUCVHCNEKSM-UHFFFAOYSA-N 0 1 261.340 2.688 20 30 CFEDMN C=CCOCCN[C@H](CO)c1cccc(Cl)c1Cl ZINC000662052484 414387727 /nfs/dbraw/zinc/38/77/27/414387727.db2.gz RTUHUHHPKRNUDX-GFCCVEGCSA-N 0 1 290.190 2.819 20 30 CFEDMN C=CC[C@@H]1CCCC[C@H]1NC(=O)NCCN1CC=CCC1 ZINC000665388513 414318210 /nfs/dbraw/zinc/31/82/10/414318210.db2.gz PSKWHSXURJITDN-HZPDHXFCSA-N 0 1 291.439 2.682 20 30 CFEDMN C=CC[C@@H]1CCCC[C@H]1NC(=O)N[C@H](C)c1n[nH]c(C)n1 ZINC000665387235 414318436 /nfs/dbraw/zinc/31/84/36/414318436.db2.gz KMXUZIBGQZHRIR-RAIGVLPGSA-N 0 1 291.399 2.608 20 30 CFEDMN C=C[C@H](CO)N[C@@H](C)C(=O)Nc1ccccc1[C@@H](C)CC ZINC000662167508 414440743 /nfs/dbraw/zinc/44/07/43/414440743.db2.gz GXVUCRKQOMTBFQ-MELADBBJSA-N 0 1 290.407 2.664 20 30 CFEDMN C=CCC[C@@H](CCC)[NH2+]Cc1nnc([C@@H]2CCCO2)[n-]1 ZINC000655796805 414442116 /nfs/dbraw/zinc/44/21/16/414442116.db2.gz JEMWRAXVTWIBEO-OLZOCXBDSA-N 0 1 278.400 2.881 20 30 CFEDMN C=C(C)CCN1C[C@@H](C)O[C@@H](CC(F)(F)F)C1 ZINC000662232723 414465063 /nfs/dbraw/zinc/46/50/63/414465063.db2.gz BSSKWBCETGYEDM-MNOVXSKESA-N 0 1 251.292 2.994 20 30 CFEDMN C=CCCn1cc(-c2nc3cc(C)c(OC)cc3[nH]2)nn1 ZINC000656484573 414589780 /nfs/dbraw/zinc/58/97/80/414589780.db2.gz AJORBEFRTGYCPA-UHFFFAOYSA-N 0 1 283.335 2.715 20 30 CFEDMN C=CCC[C@H](O)C[N@H+]1[C@@H](C(=O)[O-])CC[C@H]1c1ccccc1 ZINC000659794819 414557685 /nfs/dbraw/zinc/55/76/85/414557685.db2.gz XQUPXGGEQSCOLK-HRCADAONSA-N 0 1 289.375 2.604 20 30 CFEDMN C=CC[C@@H]1CCCC[C@@H]1NC(=O)c1ccc(CN)o1 ZINC000662603148 414571418 /nfs/dbraw/zinc/57/14/18/414571418.db2.gz SZNOOMFMZZXPKA-YPMHNXCESA-N 0 1 262.353 2.603 20 30 CFEDMN C=CC[C@@H]1CCCC[C@H]1NC(=O)c1ccc(CN)o1 ZINC000662603139 414571650 /nfs/dbraw/zinc/57/16/50/414571650.db2.gz SZNOOMFMZZXPKA-DGCLKSJQSA-N 0 1 262.353 2.603 20 30 CFEDMN C=C(C)CN(CC)CC(=O)N(C)Cc1ccc(OC)cc1 ZINC000071809294 176267609 /nfs/dbraw/zinc/26/76/09/176267609.db2.gz RVEXXYGUZGBRNB-UHFFFAOYSA-N 0 1 290.407 2.552 20 30 CFEDMN CCCCN(C)CC(=O)Nc1sc(C)c(C)c1C#N ZINC000078647130 177366243 /nfs/dbraw/zinc/36/62/43/177366243.db2.gz WSXWAULGVVYDQS-UHFFFAOYSA-N 0 1 279.409 2.907 20 30 CFEDMN Cc1csc(C(C#N)C(=O)c2ccc3oc(=O)[nH]c3c2)n1 ZINC000347526916 226196897 /nfs/dbraw/zinc/19/68/97/226196897.db2.gz UIYWOWAAWSLPRU-VIFPVBQESA-N 0 1 299.311 2.788 20 30 CFEDMN C[C@@H](NCCCCC#N)c1nc(C(C)(C)C)no1 ZINC000171715194 335075636 /nfs/dbraw/zinc/07/56/36/335075636.db2.gz OGQIIDQJXANYIN-SNVBAGLBSA-N 0 1 250.346 2.712 20 30 CFEDMN N#CC(=C(O)c1ccc(-c2ccccc2)[nH]1)c1ccncn1 ZINC000354463917 227001858 /nfs/dbraw/zinc/00/18/58/227001858.db2.gz JHCZTMSJNLQISH-ZDUSSCGKSA-N 0 1 288.310 2.962 20 30 CFEDMN N#CC(C(=O)c1ccccc1OC(F)F)c1ccncn1 ZINC000354476945 227011518 /nfs/dbraw/zinc/01/15/18/227011518.db2.gz SNOBATXXIDDADR-SNVBAGLBSA-N 0 1 289.241 2.568 20 30 CFEDMN CCc1ocnc1C(=O)N[C@@H]1CN(C)C[C@@H]1c1ccccc1 ZINC000329030973 227265664 /nfs/dbraw/zinc/26/56/64/227265664.db2.gz PQWMRNSCHMSSHF-ZIAGYGMSSA-N 0 1 299.374 2.639 20 30 CFEDMN C[C@H]1C[C@H](C(=O)Nc2ccc3nc[nH]c3c2)CC(=O)N1 ZINC000329030572 227265677 /nfs/dbraw/zinc/26/56/77/227265677.db2.gz AVIQRZCTOLBGRW-IUCAKERBSA-N 0 1 272.308 2.906 20 30 CFEDMN Cc1cc2cc[nH]c2cc1NC(=O)[C@H]1CCc2[nH]nnc2C1 ZINC000329042755 227268366 /nfs/dbraw/zinc/26/83/66/227268366.db2.gz OSJNOBZWVOCOGS-NSHDSACASA-N 0 1 295.346 2.988 20 30 CFEDMN Cc1cc2cc[nH]c2cc1NC(=O)[C@H]1CCc2nn[nH]c2C1 ZINC000329042755 227268371 /nfs/dbraw/zinc/26/83/71/227268371.db2.gz OSJNOBZWVOCOGS-NSHDSACASA-N 0 1 295.346 2.988 20 30 CFEDMN Cc1n[nH]c(CCNC(=O)[C@H]2CCCc3sccc32)n1 ZINC000329090032 227289986 /nfs/dbraw/zinc/28/99/86/227289986.db2.gz IUYUMECDEWWCPO-NSHDSACASA-N 0 1 290.392 2.794 20 30 CFEDMN CCc1noc(C)c1C(=O)N[C@@H]1CCCc2cn[nH]c21 ZINC000330164183 228054217 /nfs/dbraw/zinc/05/42/17/228054217.db2.gz VVOYHKDTNVJDRX-LLVKDONJSA-N 0 1 274.324 2.651 20 30 CFEDMN C[C@H](C(=O)Nc1nc2cccnc2[n-]1)[NH+]1[C@H](C)CC[C@H]1C ZINC000330214390 228068679 /nfs/dbraw/zinc/06/86/79/228068679.db2.gz GDJDSHCQQXICIN-GMTAPVOTSA-N 0 1 287.367 2.807 20 30 CFEDMN N#CC[C@H](O)CSc1nc2ccc(Cl)cc2[nH]1 ZINC000352145567 228187424 /nfs/dbraw/zinc/18/74/24/228187424.db2.gz MVSXXANEXNWXKE-QMMMGPOBSA-N 0 1 267.741 2.583 20 30 CFEDMN C=CC[C@H](C(=O)N1C[C@H](C)N(C)C[C@H]1C)c1ccccc1 ZINC000428023621 260909442 /nfs/dbraw/zinc/90/94/42/260909442.db2.gz LXRALQMFKUYZNY-UXLLHSPISA-N 0 1 286.419 2.897 20 30 CFEDMN N#CCC(=O)Nc1ccc2nc(C3CCC3)[nH]c2c1 ZINC000153708444 261081632 /nfs/dbraw/zinc/08/16/32/261081632.db2.gz POVKFJQLLIIMLJ-UHFFFAOYSA-N 0 1 254.293 2.683 20 30 CFEDMN N#CCCCN1CCCC[C@@H]1COC(=O)N1CCCCC1 ZINC000367628376 262022355 /nfs/dbraw/zinc/02/23/55/262022355.db2.gz WNMWEHAWKCOOJO-OAHLLOKOSA-N 0 1 293.411 2.767 20 30 CFEDMN CC(C)C[C@H](CNCC1(C#N)CC1)NC(=O)OC(C)(C)C ZINC000497268884 262130693 /nfs/dbraw/zinc/13/06/93/262130693.db2.gz LWXGDFUVUJHQCM-CYBMUJFWSA-N 0 1 295.427 2.819 20 30 CFEDMN C=CC1CCN(CC(=O)NCc2ccc(CC)s2)CC1 ZINC000111256388 262258493 /nfs/dbraw/zinc/25/84/93/262258493.db2.gz YXNRMCFMKQZLNO-UHFFFAOYSA-N 0 1 292.448 2.825 20 30 CFEDMN C=CC1CCN(CC(=O)N(C)Cc2ccccc2F)CC1 ZINC000111259205 262258967 /nfs/dbraw/zinc/25/89/67/262258967.db2.gz RVYDHEWTLCVLIB-UHFFFAOYSA-N 0 1 290.382 2.682 20 30 CFEDMN C=CC1CCN([C@@H](C)C(=O)Nc2ccccc2OC)CC1 ZINC000111259766 262259188 /nfs/dbraw/zinc/25/91/88/262259188.db2.gz RSQDCWAJKVPFFK-ZDUSSCGKSA-N 0 1 288.391 2.920 20 30 CFEDMN N#CCC[C@@H](C#N)CNC[C@@H]1CCCCC1(F)F ZINC000521412867 262316187 /nfs/dbraw/zinc/31/61/87/262316187.db2.gz NOANBUIVDFZLLR-RYUDHWBXSA-N 0 1 255.312 2.845 20 30 CFEDMN CO[C@H](C)CN1CCC[C@@H]1[C@H](C#N)c1ccccc1 ZINC000336804481 262395782 /nfs/dbraw/zinc/39/57/82/262395782.db2.gz CZMVSMKJAOLLMD-FVQBIDKESA-N 0 1 258.365 2.793 20 30 CFEDMN N#CCCCN1CCC(Oc2cnc3ccccc3n2)CC1 ZINC000365854104 262485980 /nfs/dbraw/zinc/48/59/80/262485980.db2.gz PWVHEFWGJFGUMT-UHFFFAOYSA-N 0 1 296.374 2.777 20 30 CFEDMN C[C@@H]1CCN(CC(=O)N(CCC#N)c2ccccc2)[C@H]1C ZINC000248367459 262689507 /nfs/dbraw/zinc/68/95/07/262689507.db2.gz UBXVFHNYEZDSQX-CABCVRRESA-N 0 1 285.391 2.664 20 30 CFEDMN C=C[C@@H]1OCC[C@H]1N[C@H](C)c1c(F)cccc1F ZINC000451610239 262813197 /nfs/dbraw/zinc/81/31/97/262813197.db2.gz XWQYXGLVNZAYDX-WQAKAFBOSA-N 0 1 253.292 2.959 20 30 CFEDMN CC(C)c1cc(C(=O)N(CCC#N)CC(C)(C)C)n[nH]1 ZINC000264181757 262883686 /nfs/dbraw/zinc/88/36/86/262883686.db2.gz BEKVHAQVKMKGEW-UHFFFAOYSA-N 0 1 276.384 2.935 20 30 CFEDMN CC(C)(C#N)CC[NH+]1CCN(CCc2cccs2)CC1 ZINC000272042709 263001735 /nfs/dbraw/zinc/00/17/35/263001735.db2.gz RJPCSNXVHVBDBZ-UHFFFAOYSA-N 0 1 291.464 2.848 20 30 CFEDMN Cc1ccn2cc(CN[C@H]3CCC[C@@H](C#N)C3)nc2c1 ZINC000274176112 263021617 /nfs/dbraw/zinc/02/16/17/263021617.db2.gz DAMXSXCBVFBIDQ-KGLIPLIRSA-N 0 1 268.364 2.815 20 30 CFEDMN COc1ccc(CN(C)[C@@H]2CC[C@H](C#N)C2)c(OC)c1 ZINC000278763469 263050681 /nfs/dbraw/zinc/05/06/81/263050681.db2.gz XYRQOQIGSKQJRQ-GXTWGEPZSA-N 0 1 274.364 2.828 20 30 CFEDMN N#CC1(C(=O)Nc2ccc(-c3nnc[nH]3)cc2F)CCCC1 ZINC000279263738 263054403 /nfs/dbraw/zinc/05/44/03/263054403.db2.gz UGDKETYDEGSZBK-UHFFFAOYSA-N 0 1 299.309 2.633 20 30 CFEDMN CC(C)(C)[C@H]1CN(Cc2ccc(OCC#N)cc2)CCO1 ZINC000279689004 263056866 /nfs/dbraw/zinc/05/68/66/263056866.db2.gz GAJUEATWFJRKRZ-MRXNPFEDSA-N 0 1 288.391 2.836 20 30 CFEDMN CC(C)(C#N)CCCN1CCOc2cc(O)ccc2C1 ZINC000285553345 263094153 /nfs/dbraw/zinc/09/41/53/263094153.db2.gz QZJLFRZOQAUCAV-UHFFFAOYSA-N 0 1 274.364 2.917 20 30 CFEDMN Cc1ccc(-c2n[nH]c(NC(=O)CCCC#N)c2C)o1 ZINC000291994108 263127177 /nfs/dbraw/zinc/12/71/77/263127177.db2.gz WGBNEHARNJMAKZ-UHFFFAOYSA-N 0 1 272.308 2.919 20 30 CFEDMN CN(Cc1ccc([S@](C)=O)cc1)[C@H]1CC[C@H](C#N)C1 ZINC000292888964 263136072 /nfs/dbraw/zinc/13/60/72/263136072.db2.gz UYNAZAUSQQPTQD-NJSLBKSFSA-N 0 1 276.405 2.548 20 30 CFEDMN N#C[C@@H]1CC[C@H](N2CCC[C@@H](Oc3ncccc3F)C2)C1 ZINC000293947116 263153191 /nfs/dbraw/zinc/15/31/91/263153191.db2.gz BMWUZIXMHPLHKE-HZSPNIEDSA-N 0 1 289.354 2.756 20 30 CFEDMN C[C@@H]1CN(C(=O)c2ccc(C(C)(C)C#N)cc2)C[C@H](C)N1C ZINC000293989795 263154037 /nfs/dbraw/zinc/15/40/37/263154037.db2.gz NSMIDCLTQDFDPS-OKILXGFUSA-N 0 1 299.418 2.652 20 30 CFEDMN CCN(C[C@H](C)C#N)C(=O)CNc1ccc2cnccc2c1 ZINC000297037263 263199873 /nfs/dbraw/zinc/19/98/73/263199873.db2.gz VAJPUCXPZXZRAN-CYBMUJFWSA-N 0 1 296.374 2.655 20 30 CFEDMN CC(C)[C@@](C)(C#N)NC(=O)CN1CC[C@H](c2ccccc2)C1 ZINC000299317141 263238951 /nfs/dbraw/zinc/23/89/51/263238951.db2.gz JGTMLCBMARVDRJ-FUHWJXTLSA-N 0 1 299.418 2.530 20 30 CFEDMN C=CC[N@H+](CC[C@@H]1CCOC1=O)Cc1ccc(OC)cc1 ZINC000120214359 263284329 /nfs/dbraw/zinc/28/43/29/263284329.db2.gz GTJMZAKMYZLICA-OAHLLOKOSA-N 0 1 289.375 2.636 20 30 CFEDMN C=CCCC[N@H+](C)[C@H](C)C(=O)Nc1ccc(Cl)cn1 ZINC000121043862 263290372 /nfs/dbraw/zinc/29/03/72/263290372.db2.gz NJVTZPYARREXQS-LLVKDONJSA-N 0 1 281.787 2.960 20 30 CFEDMN C=CCCCN(C)[C@H](C)C(=O)Nc1ccc(Cl)cn1 ZINC000121043862 263290373 /nfs/dbraw/zinc/29/03/73/263290373.db2.gz NJVTZPYARREXQS-LLVKDONJSA-N 0 1 281.787 2.960 20 30 CFEDMN C=CC(C)(C)CNC(=O)NCC[N@H+](C)Cc1ccccc1 ZINC000454387095 263306391 /nfs/dbraw/zinc/30/63/91/263306391.db2.gz QOUUZIRMDOVRKS-UHFFFAOYSA-N 0 1 289.423 2.630 20 30 CFEDMN C=C(C)C[C@H](C)C(=O)N1C[C@@H](C)N(CC)C[C@H]1C ZINC000342009812 263377404 /nfs/dbraw/zinc/37/74/04/263377404.db2.gz BVIFGNKPFCRAIQ-BFHYXJOUSA-N 0 1 252.402 2.530 20 30 CFEDMN CCOc1ccccc1CN1CCC(C#N)(COC)CC1 ZINC000341983697 263370847 /nfs/dbraw/zinc/37/08/47/263370847.db2.gz UOENVUMESSRANS-UHFFFAOYSA-N 0 1 288.391 2.837 20 30 CFEDMN C[C@H](C#N)CN(C)C(=O)[C@H]1CCCCN1Cc1ccccc1 ZINC000342424823 263432110 /nfs/dbraw/zinc/43/21/10/263432110.db2.gz NEEQGGFRVLNLQL-NVXWUHKLSA-N 0 1 299.418 2.659 20 30 CFEDMN CC[C@H](C#N)S(=O)(=O)Nc1c(C)cccc1SC ZINC000416949033 263766142 /nfs/dbraw/zinc/76/61/42/263766142.db2.gz CSLXRURPUDWDAT-SNVBAGLBSA-N 0 1 284.406 2.761 20 30 CFEDMN C=CCCC[C@H](C)NC(=O)N1CCC[C@H](c2nc[nH]n2)C1 ZINC000330678983 264002426 /nfs/dbraw/zinc/00/24/26/264002426.db2.gz XABYIGWVBVXUFW-STQMWFEESA-N 0 1 291.399 2.643 20 30 CFEDMN C#Cc1ccc(NC(=O)N[C@@H](C)c2n[nH]c(C(C)C)n2)cc1 ZINC000934933208 649857546 /nfs/dbraw/zinc/85/75/46/649857546.db2.gz OZIYGAPZXMZEFP-NSHDSACASA-N 0 1 297.362 2.792 20 30 CFEDMN C=CCn1cc(CNC2CC(C)(c3ccccc3)C2)nn1 ZINC000425347823 264020951 /nfs/dbraw/zinc/02/09/51/264020951.db2.gz CYGCELDLEUBONJ-UHFFFAOYSA-N 0 1 282.391 2.674 20 30 CFEDMN CCc1noc(C)c1NC(=O)N[C@H](C)C1=CC[N@@H+](C)CC1 ZINC000330797414 264040735 /nfs/dbraw/zinc/04/07/35/264040735.db2.gz XRKMQQGFQJHSIE-SNVBAGLBSA-N 0 1 292.383 2.522 20 30 CFEDMN Cc1n[nH]c(C(F)F)c1NC(=O)c1cnc(C)nc1C ZINC000330783011 264052873 /nfs/dbraw/zinc/05/28/73/264052873.db2.gz HOTLURKUKCEYQM-UHFFFAOYSA-N 0 1 281.266 2.699 20 30 CFEDMN Cc1cnc(C(=O)Nc2cnc(C(C)(C)C)nc2)c(O)c1 ZINC000330889816 264064407 /nfs/dbraw/zinc/06/44/07/264064407.db2.gz VOIAGEGROBBPPM-UHFFFAOYSA-N 0 1 286.335 2.819 20 30 CFEDMN CCCCN1CCCC[C@H]1CNC(=O)c1snnc1C ZINC000331005356 264106009 /nfs/dbraw/zinc/10/60/09/264106009.db2.gz ZICHOERGEVBNQI-LBPRGKRZSA-N 0 1 296.440 2.806 20 30 CFEDMN CSCCCCNC(=O)N1CCC(c2cnc[nH]2)CC1 ZINC000331220127 264165609 /nfs/dbraw/zinc/16/56/09/264165609.db2.gz JAKZBUNZLUQNAC-UHFFFAOYSA-N 0 1 296.440 2.646 20 30 CFEDMN Cc1cc(C)c([NH+]=C([O-])N[C@H](C)Cn2cccn2)c(C)n1 ZINC000331341552 264195387 /nfs/dbraw/zinc/19/53/87/264195387.db2.gz SPOGPKDWAWYWBG-GFCCVEGCSA-N 0 1 287.367 2.618 20 30 CFEDMN C[C@H](O)[C@@H]1CCCCN1CC#Cc1cccc(Cl)c1 ZINC000160055382 264223364 /nfs/dbraw/zinc/22/33/64/264223364.db2.gz OIQQUIUIIFZXLT-BBRMVZONSA-N 0 1 277.795 2.927 20 30 CFEDMN C=CCCCN(C)C(=O)c1c[nH]c2ccccc2c1=O ZINC000076650303 264346739 /nfs/dbraw/zinc/34/67/39/264346739.db2.gz IPXIXTIXCNFTGB-UHFFFAOYSA-N 0 1 270.332 2.566 20 30 CFEDMN CN(CC(C)(C)C#N)C(=O)c1cc(-c2ccccc2)[nH]n1 ZINC000353241558 265214507 /nfs/dbraw/zinc/21/45/07/265214507.db2.gz KUCTUDBHTRAMDV-UHFFFAOYSA-N 0 1 282.347 2.698 20 30 CFEDMN N#Cc1ccncc1N1CCN([C@H]2C=CCCCCC2)CC1 ZINC000514617762 266020683 /nfs/dbraw/zinc/02/06/83/266020683.db2.gz PEWXUZPRWSMHCD-KRWDZBQOSA-N 0 1 296.418 2.964 20 30 CFEDMN C[C@@H]1CN(C(=O)C[C@@H](CC#N)c2ccccc2)[C@H](C)CN1C ZINC000356587746 266143231 /nfs/dbraw/zinc/14/32/31/266143231.db2.gz DALYJPAMKGZDTK-BFYDXBDKSA-N 0 1 299.418 2.625 20 30 CFEDMN C=CCN(C(=O)NC[C@H](c1ccsc1)N(C)C)C1CC1 ZINC000357571346 266327522 /nfs/dbraw/zinc/32/75/22/266327522.db2.gz PTVWTCOHUHNPDQ-CQSZACIVSA-N 0 1 293.436 2.711 20 30 CFEDMN N#CCc1ccc(NC(=O)[C@H]2CCCc3cn[nH]c32)cc1 ZINC000361234046 266806932 /nfs/dbraw/zinc/80/69/32/266806932.db2.gz HJVFVFWJBVKPSJ-AWEZNQCLSA-N 0 1 280.331 2.534 20 30 CFEDMN CCC[C@@H](CNc1nc(C#N)c(Cl)s1)OCC ZINC000528082453 267031669 /nfs/dbraw/zinc/03/16/69/267031669.db2.gz JXJBEUSSLFKAFE-QMMMGPOBSA-N 0 1 273.789 2.707 20 30 CFEDMN N#CCCCN1Cc2ccccc2[C@H](n2cccn2)C1 ZINC000363232902 267080889 /nfs/dbraw/zinc/08/08/89/267080889.db2.gz ZBQRNBCQECNFFT-MRXNPFEDSA-N 0 1 266.348 2.592 20 30 CFEDMN C=CCNC(=O)CN1C[C@@H]2CCCC[C@]21c1ccccc1 ZINC000368549468 267183881 /nfs/dbraw/zinc/18/38/81/267183881.db2.gz PSEAQEMHEMCZFF-WMZOPIPTSA-N 0 1 284.403 2.690 20 30 CFEDMN C[C@H]1Cc2ccccc2N1C(=O)c1ccc(C#N)c(O)c1 ZINC000188246644 267243252 /nfs/dbraw/zinc/24/32/52/267243252.db2.gz HFDLYPXTTJNXPM-NSHDSACASA-N 0 1 278.311 2.855 20 30 CFEDMN CCc1nc([C@@H]2CCCN(CCC(C)(C)C#N)C2)no1 ZINC000371203983 267370893 /nfs/dbraw/zinc/37/08/93/267370893.db2.gz DXBDDXAVXIVCCC-GFCCVEGCSA-N 0 1 276.384 2.751 20 30 CFEDMN C=C(C)CN(CC)[C@@H](C)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000120121433 267383858 /nfs/dbraw/zinc/38/38/58/267383858.db2.gz WOLYNEWHKFTUNH-LBPRGKRZSA-N 0 1 291.351 2.820 20 30 CFEDMN Cc1[nH]ncc1C1CCN(C(=O)C2(C#N)CCCC2)CC1 ZINC000375821676 267908856 /nfs/dbraw/zinc/90/88/56/267908856.db2.gz BXCFAFTVAWNLTP-UHFFFAOYSA-N 0 1 286.379 2.508 20 30 CFEDMN N#Cc1ccc(CNC[C@@H](n2cccn2)C(F)(F)F)cc1 ZINC000527742511 268233551 /nfs/dbraw/zinc/23/35/51/268233551.db2.gz KVIGXHUBBSWVFJ-CYBMUJFWSA-N 0 1 294.280 2.648 20 30 CFEDMN CC[C@H](C)NC(=O)CN(CC)[C@@H](C)c1ccc(C#N)cc1 ZINC000193760557 270239809 /nfs/dbraw/zinc/23/98/09/270239809.db2.gz ADBOOECBVPFCJH-KBPBESRZSA-N 0 1 287.407 2.856 20 30 CFEDMN C=CCCCNC(=O)NC[C@@H](c1cccs1)N(C)C ZINC000279645619 275742882 /nfs/dbraw/zinc/74/28/82/275742882.db2.gz WGDLNZRIEPWADS-LBPRGKRZSA-N 0 1 281.425 2.616 20 30 CFEDMN CC1(C)CCN([C@@H]2CCN(c3ccc(C#N)cc3)C2=O)CC1 ZINC000339259897 275824173 /nfs/dbraw/zinc/82/41/73/275824173.db2.gz SAFFFDBXKDESNL-MRXNPFEDSA-N 0 1 297.402 2.786 20 30 CFEDMN CC1(C)Oc2ccsc2[C@@H](N[C@H]2CC[C@@H](C#N)C2)[C@@H]1O ZINC000333827236 275883724 /nfs/dbraw/zinc/88/37/24/275883724.db2.gz KIBFBTMBMOLKGL-JCRCQARHSA-N 0 1 292.404 2.603 20 30 CFEDMN CC1(C)Oc2ccsc2[C@@H](N[C@@H]2CC[C@H](C#N)C2)[C@@H]1O ZINC000333827238 275883728 /nfs/dbraw/zinc/88/37/28/275883728.db2.gz KIBFBTMBMOLKGL-SVBLFDIKSA-N 0 1 292.404 2.603 20 30 CFEDMN CC(C)(C)[C@@H]1CCCN([C@H](C(N)=O)c2ccc(C#N)cc2)C1 ZINC000361549677 277230957 /nfs/dbraw/zinc/23/09/57/277230957.db2.gz OYCCTPRHRGKDGN-CVEARBPZSA-N 0 1 299.418 2.843 20 30 CFEDMN CC(C)(C)[C@@H]1CCCN([C@@H](C(N)=O)c2ccc(C#N)cc2)C1 ZINC000361549679 277230976 /nfs/dbraw/zinc/23/09/76/277230976.db2.gz OYCCTPRHRGKDGN-HZPDHXFCSA-N 0 1 299.418 2.843 20 30 CFEDMN C[C@@H]1CN(c2nc(C(F)(F)F)ccc2C#N)C[C@@H](C)N1C ZINC000135267492 278810387 /nfs/dbraw/zinc/81/03/87/278810387.db2.gz QEWYTZALAFHTIT-NXEZZACHSA-N 0 1 298.312 2.501 20 30 CFEDMN C[C@]1(CNC(=O)[C@@H]2CCCN2C2CC2)CCCC[C@@H]1O ZINC000330215828 280152764 /nfs/dbraw/zinc/15/27/64/280152764.db2.gz HIXKSRPNMKUQFD-OFQRWUPVSA-N 0 1 280.412 2.511 20 30 CFEDMN C[C@]1(CNCc2ccc(C#N)o2)OCCc2sccc21 ZINC000289936159 280157423 /nfs/dbraw/zinc/15/74/23/280157423.db2.gz WOGKCAHRMYWAQJ-OAHLLOKOSA-N 0 1 288.372 2.790 20 30 CFEDMN CCCNc1ccc(C#N)cc1NC(=O)c1ncccc1O ZINC000127522892 280665180 /nfs/dbraw/zinc/66/51/80/280665180.db2.gz PVHYSABVNXUNGA-UHFFFAOYSA-N 0 1 296.330 2.733 20 30 CFEDMN Cc1cc(CNCc2cnc3n2CCCC3)ccc1C#N ZINC000551616746 281839224 /nfs/dbraw/zinc/83/92/24/281839224.db2.gz HAFUWRHFGPFPHF-UHFFFAOYSA-N 0 1 280.375 2.689 20 30 CFEDMN CN(CCc1ccncc1)Cc1ccc(C#N)cc1[N+](=O)[O-] ZINC000563210985 290118382 /nfs/dbraw/zinc/11/83/82/290118382.db2.gz IWIJRGPXVLLYHK-UHFFFAOYSA-N 0 1 296.330 2.536 20 30 CFEDMN CC[C@H](O)CN(Cc1ccccc1)Cc1ccc(C#N)cn1 ZINC000563893629 290181936 /nfs/dbraw/zinc/18/19/36/290181936.db2.gz CIVCEFDKWAGNKA-SFHVURJKSA-N 0 1 295.386 2.726 20 30 CFEDMN CO[C@@]1(C)CCCN(Cc2cc(C#N)cs2)C1 ZINC000336284238 523806187 /nfs/dbraw/zinc/80/61/87/523806187.db2.gz BBWXWLUNAPAXHY-ZDUSSCGKSA-N 0 1 250.367 2.621 20 30 CFEDMN CC(C)(C)n1cc(/C=C/C(=O)c2ccccc2O)nn1 ZINC000191318608 327873180 /nfs/dbraw/zinc/87/31/80/327873180.db2.gz UAJXDAJAAHCGMW-CMDGGOBGSA-N 0 1 271.320 2.635 20 30 CFEDMN C=C(C)CC[N@@H+](CC(=O)[O-])Cc1ccc(F)c(F)c1 ZINC000563283357 328007889 /nfs/dbraw/zinc/00/78/89/328007889.db2.gz NPYJDSCLQFVWGR-UHFFFAOYSA-N 0 1 269.291 2.818 20 30 CFEDMN COc1c(Br)cccc1CNCCCC#N ZINC000274773111 328009973 /nfs/dbraw/zinc/00/99/73/328009973.db2.gz JBBGSGLCVWJNFM-UHFFFAOYSA-N 0 1 283.169 2.851 20 30 CFEDMN C[C@H]1c2ccsc2CCN1CCOCCC#N ZINC000293381885 328095088 /nfs/dbraw/zinc/09/50/88/328095088.db2.gz GGQCCMSEYSXYFG-NSHDSACASA-N 0 1 250.367 2.597 20 30 CFEDMN N#C[C@H]1CC[C@@H](N2CCN(c3ccccc3)CC2)C1 ZINC000260581931 328131244 /nfs/dbraw/zinc/13/12/44/328131244.db2.gz YZCVMZQUEOYGJW-GOEBONIOSA-N 0 1 255.365 2.501 20 30 CFEDMN CN(Cc1cnn(-c2ccccc2)c1)[C@H]1CC[C@H](C#N)C1 ZINC000278529152 328226559 /nfs/dbraw/zinc/22/65/59/328226559.db2.gz DVNNRWDGSMCUEC-YOEHRIQHSA-N 0 1 280.375 2.996 20 30 CFEDMN C=C(C)CN(C)[C@@H](CCCC)C(=O)Nc1cc(C)on1 ZINC000181289295 329229846 /nfs/dbraw/zinc/22/98/46/329229846.db2.gz NHYBEGZAQXPPER-ZDUSSCGKSA-N 0 1 279.384 2.988 20 30 CFEDMN C=C(C)CN(C)[C@H](C)C(=O)N(C)C1(C#N)CCC(C)CC1 ZINC000181313853 329231314 /nfs/dbraw/zinc/23/13/14/329231314.db2.gz QEAKNZCZAWPDNX-ISXOHVOVSA-N 0 1 291.439 2.814 20 30 CFEDMN C[C@@H]1CCC[C@H](CO)N1CC#Cc1ccc(Cl)cc1 ZINC000181388073 329232561 /nfs/dbraw/zinc/23/25/61/329232561.db2.gz HHHVDLZJTZLDPS-CZUORRHYSA-N 0 1 277.795 2.927 20 30 CFEDMN N#CCCCC(=O)Nc1cc(Cl)c(O)cc1F ZINC000291563148 328265246 /nfs/dbraw/zinc/26/52/46/328265246.db2.gz WZVKETQMYJMGCW-UHFFFAOYSA-N 0 1 256.664 2.817 20 30 CFEDMN CCC[C@H](C)[C@H](CO)NCc1cccc(F)c1C#N ZINC000570573029 322539276 /nfs/dbraw/zinc/53/92/76/322539276.db2.gz FIYHXBVQTSGZDM-NHYWBVRUSA-N 0 1 264.344 2.584 20 30 CFEDMN Cc1ccc(NC(=O)c2ccc(C#N)c(O)c2)cc1 ZINC000188208641 324009784 /nfs/dbraw/zinc/00/97/84/324009784.db2.gz ZDLRRFRPYGOWMQ-UHFFFAOYSA-N 0 1 252.273 2.825 20 30 CFEDMN Cc1ccnc([C@@H]2CCN(Cc3ccc(C#N)cn3)C2)c1 ZINC000581378213 325115860 /nfs/dbraw/zinc/11/58/60/325115860.db2.gz BTUUQTPVTFRCSV-OAHLLOKOSA-N 0 1 278.359 2.646 20 30 CFEDMN C[C@@H](CCO)N(Cc1ccccc1)Cc1ccc(C#N)cn1 ZINC000581436990 325121589 /nfs/dbraw/zinc/12/15/89/325121589.db2.gz RTXVTGGFBBUFKF-HNNXBMFYSA-N 0 1 295.386 2.726 20 30 CFEDMN Cc1cc(C(F)(F)F)c(C#N)c(SCc2c[nH]nn2)n1 ZINC000581589182 325134179 /nfs/dbraw/zinc/13/41/79/325134179.db2.gz XHHCCUWGTQVLAG-UHFFFAOYSA-N 0 1 299.281 2.691 20 30 CFEDMN Cc1ccccc1OCCN(C)Cc1ccc(C#N)cn1 ZINC000582702430 325226941 /nfs/dbraw/zinc/22/69/41/325226941.db2.gz VGPBAVYITIMFTI-UHFFFAOYSA-N 0 1 281.359 2.773 20 30 CFEDMN CC(C)(C)OC(=O)N1CCC[C@]2(CCN2CCCC#N)C1 ZINC000377785201 329029349 /nfs/dbraw/zinc/02/93/49/329029349.db2.gz PAFGKJFFUBGJLQ-INIZCTEOSA-N 0 1 293.411 2.766 20 30 CFEDMN C=C(C)CN(C)CC(=O)N1CCC[C@@H]1c1cccs1 ZINC000378497878 329053206 /nfs/dbraw/zinc/05/32/06/329053206.db2.gz SBCRSKWRDPTLHZ-CYBMUJFWSA-N 0 1 278.421 2.920 20 30 CFEDMN C[C@H](O)[C@H](N[C@@H]1CC[C@@H](C#N)C1)c1ccccc1F ZINC000582489394 329097281 /nfs/dbraw/zinc/09/72/81/329097281.db2.gz AWMONSJLAOEJDX-YFCNSXCBSA-N 0 1 262.328 2.529 20 30 CFEDMN CC#CCN(C)C[C@@H](O)COc1ccc(C(C)(C)C)cc1 ZINC000582500761 329098203 /nfs/dbraw/zinc/09/82/03/329098203.db2.gz WWLWCQPKOBBLGT-MRXNPFEDSA-N 0 1 289.419 2.679 20 30 CFEDMN CCC[C@]1(C)CCCN(CC(=O)N[C@@](C)(C#N)C2CC2)C1 ZINC000174451421 329159219 /nfs/dbraw/zinc/15/92/19/329159219.db2.gz NUNNOPDPOCLTFH-SJORKVTESA-N 0 1 291.439 2.697 20 30 CFEDMN C=CCN(CC=C)C(=O)CN1C[C@H](C)[C@H]1c1ccccc1 ZINC000177825143 329187331 /nfs/dbraw/zinc/18/73/31/329187331.db2.gz KBWOLNZSMIFNAY-YJBOKZPZSA-N 0 1 284.403 2.880 20 30 CFEDMN C=CCN(Cc1n[nH]c(C2CC2)n1)Cc1ccc(OC)cc1 ZINC000180411698 329216164 /nfs/dbraw/zinc/21/61/64/329216164.db2.gz JYMFMKKWPRTEAD-UHFFFAOYSA-N 0 1 298.390 2.879 20 30 CFEDMN C=C(C)CN(C)[C@@H](C)C(=O)NCC1CCCCC1 ZINC000181324750 329231667 /nfs/dbraw/zinc/23/16/67/329231667.db2.gz NSXSMGPHAJMJNB-ZDUSSCGKSA-N 0 1 252.402 2.579 20 30 CFEDMN C[C@@H]1CCC[C@@H](CO)N1CC#Cc1cccc(Cl)c1 ZINC000181383992 329232251 /nfs/dbraw/zinc/23/22/51/329232251.db2.gz XKMNSBHNFCORHG-CJNGLKHVSA-N 0 1 277.795 2.927 20 30 CFEDMN C=C(C)CN(CC)C(=O)c1ccc(-c2nnc[nH]2)cc1 ZINC000184399170 329259546 /nfs/dbraw/zinc/25/95/46/329259546.db2.gz APQVRWPTBZFDAS-UHFFFAOYSA-N 0 1 270.336 2.510 20 30 CFEDMN C[C@@](C#N)(NC(=O)c1ccc2[nH]nnc2c1)C1CCCCC1 ZINC000582865074 329278325 /nfs/dbraw/zinc/27/83/25/329278325.db2.gz OPCXTPHOIXDJSQ-INIZCTEOSA-N 0 1 297.362 2.550 20 30 CFEDMN C=C(C)CN(CC)C(=O)C[N@@H+]1CC[C@@H](C)[C@@H]1CC ZINC000185646106 329328254 /nfs/dbraw/zinc/32/82/54/329328254.db2.gz VEYWVEVXMYOPLN-KGLIPLIRSA-N 0 1 252.402 2.531 20 30 CFEDMN CC(C)(C#N)CCC[N@H+]1CCO[C@@H]2CCCC[C@H]21 ZINC000227842042 329329270 /nfs/dbraw/zinc/32/92/70/329329270.db2.gz XDQJUOOQDSJCRK-ZIAGYGMSSA-N 0 1 250.386 2.960 20 30 CFEDMN CC(C)(C#N)CCC[N@H+]1CCO[C@H]2CCCC[C@H]21 ZINC000227842048 329329390 /nfs/dbraw/zinc/32/93/90/329329390.db2.gz XDQJUOOQDSJCRK-KGLIPLIRSA-N 0 1 250.386 2.960 20 30 CFEDMN C=C(C)C[C@@H](C)C(=O)N[C@H](c1n[nH]c(C)n1)c1ccccc1 ZINC000186153515 329338687 /nfs/dbraw/zinc/33/86/87/329338687.db2.gz SQCKGXAACBJUAV-DOMZBBRYSA-N 0 1 298.390 2.921 20 30 CFEDMN Cc1cnc([C@@H](C)CNC[C@@H](C#N)CCC#N)s1 ZINC000583290658 329434851 /nfs/dbraw/zinc/43/48/51/329434851.db2.gz GAZJISBVTIIGLY-CMPLNLGQSA-N 0 1 262.382 2.588 20 30 CFEDMN COc1cc(F)cc(CN2CCC(CC#N)CC2)c1 ZINC000584391133 329436030 /nfs/dbraw/zinc/43/60/30/329436030.db2.gz IPCOGPDTEWVMSW-UHFFFAOYSA-N 0 1 262.328 2.960 20 30 CFEDMN COc1ccc(CCNC[C@@H](C#N)CCC#N)c(Cl)c1 ZINC000584444637 329470003 /nfs/dbraw/zinc/47/00/03/329470003.db2.gz XFCPAYQKOZZECP-GFCCVEGCSA-N 0 1 291.782 2.924 20 30 CFEDMN C=C(C)CCN[C@@H](C(N)=O)c1cccc(Br)c1 ZINC000419218740 329712052 /nfs/dbraw/zinc/71/20/52/329712052.db2.gz GHJWIUVOMLYQDD-GFCCVEGCSA-N 0 1 297.196 2.531 20 30 CFEDMN C=C(C)C[C@@H](C)C(=O)N1CCNC[C@@H]1c1ccccc1 ZINC000571814895 329922766 /nfs/dbraw/zinc/92/27/66/329922766.db2.gz FOAAHCGWPFSOQP-GDBMZVCRSA-N 0 1 272.392 2.762 20 30 CFEDMN C=CCOc1cccc(C[N@@H+]2C[C@H](C(=O)[O-])C[C@H](C)C2)c1 ZINC000263077836 330042392 /nfs/dbraw/zinc/04/23/92/330042392.db2.gz RARDBJJEANQDEU-DZGCQCFKSA-N 0 1 289.375 2.794 20 30 CFEDMN C=CCOc1cccc(C[N@@H+]2C[C@H](C(=O)[O-])CC[C@@H]2C)c1 ZINC000263356286 330052944 /nfs/dbraw/zinc/05/29/44/330052944.db2.gz QXIHUXKQQQFGRN-DZGCQCFKSA-N 0 1 289.375 2.937 20 30 CFEDMN C[C@@H](NCC(=O)NC1(C#N)CCC1)c1cc2ccccc2o1 ZINC000527489824 330251318 /nfs/dbraw/zinc/25/13/18/330251318.db2.gz FGUVTMOPEZWNLU-GFCCVEGCSA-N 0 1 297.358 2.646 20 30 CFEDMN C=C(CC)CNCc1csc(-c2cnn(C)c2)n1 ZINC000527715677 330276478 /nfs/dbraw/zinc/27/64/78/330276478.db2.gz FHNNDAROSGHRNR-UHFFFAOYSA-N 0 1 262.382 2.599 20 30 CFEDMN CC#CCCN=c1nc(-c2ccccc2C)[nH]s1 ZINC000527952960 330294538 /nfs/dbraw/zinc/29/45/38/330294538.db2.gz GYBRYXKVNSBCRH-UHFFFAOYSA-N 0 1 257.362 2.761 20 30 CFEDMN C=CCn1cc(CN[C@@H](C)Cc2coc3ccccc23)nn1 ZINC000424292080 330335040 /nfs/dbraw/zinc/33/50/40/330335040.db2.gz GBKUHYCLWCOBCG-ZDUSSCGKSA-N 0 1 296.374 2.931 20 30 CFEDMN C=CCC(F)(F)c1nc(C2(N)CCCCC2)no1 ZINC000424347691 330344889 /nfs/dbraw/zinc/34/48/89/330344889.db2.gz RTSPIIJSRQVUBG-UHFFFAOYSA-N 0 1 257.284 2.856 20 30 CFEDMN C=CCOc1cccc(C[N@@H+]2CCC[C@H](C)[C@@H]2C(=O)[O-])c1 ZINC000424411452 330350587 /nfs/dbraw/zinc/35/05/87/330350587.db2.gz BCXGRHPMSNFYHK-XJKSGUPXSA-N 0 1 289.375 2.937 20 30 CFEDMN C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)c1ccc(O)c(Cl)c1 ZINC000437520480 330701989 /nfs/dbraw/zinc/70/19/89/330701989.db2.gz YKYBSWVIQPIOKO-RISCZKNCSA-N 0 1 295.766 2.757 20 30 CFEDMN CC#CCN1CCC(Oc2ccc(F)cc2F)CC1 ZINC000159319340 330846119 /nfs/dbraw/zinc/84/61/19/330846119.db2.gz QDLYBXFQVQDHJY-UHFFFAOYSA-N 0 1 265.303 2.831 20 30 CFEDMN N#C[C@@H]1CCC[C@H](NCc2nccn2CC(F)(F)F)C1 ZINC000447534266 330868416 /nfs/dbraw/zinc/86/84/16/330868416.db2.gz VYPKHTMDTVQDSF-MNOVXSKESA-N 0 1 286.301 2.617 20 30 CFEDMN C=C[C@@H]1OCC[C@H]1NCc1coc(-c2cccc(F)c2)n1 ZINC000451603385 331036093 /nfs/dbraw/zinc/03/60/93/331036093.db2.gz ZCMBGWPPNUNGLD-CABCVRRESA-N 0 1 288.322 2.914 20 30 CFEDMN C=C[C@@H]1OCC[C@H]1NCC(=O)Nc1ccc(C)cc1Cl ZINC000451604054 331036217 /nfs/dbraw/zinc/03/62/17/331036217.db2.gz FSOWDOUULGETRB-KGLIPLIRSA-N 0 1 294.782 2.520 20 30 CFEDMN C=C(C)CCNS(=O)(=O)c1c(Cl)ccc(F)c1F ZINC000451796063 331042204 /nfs/dbraw/zinc/04/22/04/331042204.db2.gz AHVXRDQYEBLCGZ-UHFFFAOYSA-N 0 1 295.738 2.863 20 30 CFEDMN C=CCCCCCN1CCCC[C@H]1C(=O)NCC(F)F ZINC000451802139 331042678 /nfs/dbraw/zinc/04/26/78/331042678.db2.gz KNSWWYODAVKJOV-ZDUSSCGKSA-N 0 1 288.382 2.969 20 30 CFEDMN C[C@@H]1C[C@@H](O)CN(CC#Cc2ccc(C(F)(F)F)cc2)C1 ZINC000452069970 331052838 /nfs/dbraw/zinc/05/28/38/331052838.db2.gz RCNOIIXUQHASPP-IUODEOHRSA-N 0 1 297.320 2.760 20 30 CFEDMN CCN(CC)CC(=O)Nc1ccc(CC#N)cc1Cl ZINC000452647489 331071001 /nfs/dbraw/zinc/07/10/01/331071001.db2.gz SCQIEBMOZOVMQB-UHFFFAOYSA-N 0 1 279.771 2.686 20 30 CFEDMN C=C(C)CCNC(=O)[C@H]1CCCC[N@H+]1C1CCCC1 ZINC000452719536 331073541 /nfs/dbraw/zinc/07/35/41/331073541.db2.gz TYVULQSJTUGCAQ-OAHLLOKOSA-N 0 1 264.413 2.866 20 30 CFEDMN C=C(CC)CN[C@@H](C)CS(=O)(=O)c1ccc(C)cc1 ZINC000453368347 331123581 /nfs/dbraw/zinc/12/35/81/331123581.db2.gz QFROTRNYXUZBHE-AWEZNQCLSA-N 0 1 281.421 2.713 20 30 CFEDMN C=C(CC)CNC(=O)NC[C@H](c1ccc(F)cc1)N(C)C ZINC000454528892 331148033 /nfs/dbraw/zinc/14/80/33/331148033.db2.gz DOIQWWIZDMMJIM-OAHLLOKOSA-N 0 1 293.386 2.694 20 30 CFEDMN C=C(C)CCNC(=O)NCc1nc2cccc(C)c2[nH]1 ZINC000454740315 331152647 /nfs/dbraw/zinc/15/26/47/331152647.db2.gz FUZLEEVMMUGYNS-UHFFFAOYSA-N 0 1 272.352 2.637 20 30 CFEDMN C=C(C)CCNC(=O)N(C)Cc1cc(C(C)(C)C)[nH]n1 ZINC000455324360 331166181 /nfs/dbraw/zinc/16/61/81/331166181.db2.gz MDCHULUUAVJFGV-UHFFFAOYSA-N 0 1 278.400 2.815 20 30 CFEDMN C=CC(C)(C)CNC(=O)NC[C@@H](c1cccs1)N(C)C ZINC000455369944 331167448 /nfs/dbraw/zinc/16/74/48/331167448.db2.gz QJQGGHMTWZMNAP-LBPRGKRZSA-N 0 1 295.452 2.862 20 30 CFEDMN C=CCC1(C(=O)N2CCN([C@@H](C)CC)CC2)CCC1 ZINC000456521661 331195018 /nfs/dbraw/zinc/19/50/18/331195018.db2.gz CNRQYTGKXZNLHE-AWEZNQCLSA-N 0 1 264.413 2.676 20 30 CFEDMN C=CCCC(=O)N(C)C1CCN(CCC(F)(F)F)CC1 ZINC000457093642 331212123 /nfs/dbraw/zinc/21/21/23/331212123.db2.gz YKBWAXATZQGNBN-UHFFFAOYSA-N 0 1 292.345 2.828 20 30 CFEDMN C=CCC1(CNC(=O)NCc2cn[nH]c2C)CCCC1 ZINC000457799696 331234711 /nfs/dbraw/zinc/23/47/11/331234711.db2.gz SXONGKIZJSLMAK-UHFFFAOYSA-N 0 1 276.384 2.654 20 30 CFEDMN Cc1n[nH]c(C(C)C)c1C(=O)NCC(C)(C)CC#N ZINC000457993401 331239737 /nfs/dbraw/zinc/23/97/37/331239737.db2.gz MPYYXWHJBHCGLA-UHFFFAOYSA-N 0 1 262.357 2.511 20 30 CFEDMN C=C(CC)CNC(=O)NC[C@H](c1ccco1)N(CC)CC ZINC000458074292 331242290 /nfs/dbraw/zinc/24/22/90/331242290.db2.gz PIUISVIJZDTFRU-CQSZACIVSA-N 0 1 293.411 2.928 20 30 CFEDMN C=CCCC[C@@H](C)NC(=O)NCc1n[nH]c(C(C)(C)C)n1 ZINC000458617811 331254370 /nfs/dbraw/zinc/25/43/70/331254370.db2.gz KQSUTCHAJRHDRM-LLVKDONJSA-N 0 1 293.415 2.646 20 30 CFEDMN C=CCC(C)(C)CNC(=O)N1CCN(C)C[C@@H]1C(C)C ZINC000458813152 331260959 /nfs/dbraw/zinc/26/09/59/331260959.db2.gz SHGBGOZCUBVXFM-CQSZACIVSA-N 0 1 281.444 2.570 20 30 CFEDMN C=CCC(C)(C)CNC(=O)N1CCN(CC)C[C@@H]1CC ZINC000458816055 331261335 /nfs/dbraw/zinc/26/13/35/331261335.db2.gz ZWMFDLOVEBCVJQ-AWEZNQCLSA-N 0 1 281.444 2.714 20 30 CFEDMN CO[C@H](CN[C@@H]1CCC[C@H]1C#N)Cc1ccccc1 ZINC000459454264 331282114 /nfs/dbraw/zinc/28/21/14/331282114.db2.gz CXQPBLAYRVKRLX-HRCADAONSA-N 0 1 258.365 2.526 20 30 CFEDMN C=C(CC)CN1CCc2c(cccc2C(=O)OC)C1 ZINC000459537900 331286598 /nfs/dbraw/zinc/28/65/98/331286598.db2.gz ARDDFWHTQQTYAA-UHFFFAOYSA-N 0 1 259.349 2.798 20 30 CFEDMN C=CCC[C@@H](O)CN[C@H](C)c1nc2c(s1)CCC2 ZINC000459642791 331291871 /nfs/dbraw/zinc/29/18/71/331291871.db2.gz ZTLAFJQFUNOTLB-GHMZBOCLSA-N 0 1 266.410 2.610 20 30 CFEDMN COc1cc(OC)c(CNCC(C)(C)CC#N)c(OC)c1 ZINC000459697614 331294839 /nfs/dbraw/zinc/29/48/39/331294839.db2.gz PZILRWQGQJMMTR-UHFFFAOYSA-N 0 1 292.379 2.742 20 30 CFEDMN CC#CCCN(CC(N)=O)[C@H](C)c1ccc(CCC)cc1 ZINC000462316099 331319293 /nfs/dbraw/zinc/31/92/93/331319293.db2.gz RNFSAZGZUCBFAY-OAHLLOKOSA-N 0 1 286.419 2.901 20 30 CFEDMN C=C[C@@H]1CCCCN1CC(=O)N(C)C1CCCCC1 ZINC000489441818 332052558 /nfs/dbraw/zinc/05/25/58/332052558.db2.gz FMGWWHICGNCZPF-CQSZACIVSA-N 0 1 264.413 2.818 20 30 CFEDMN C=C[C@@H]1CCCCN1CC(=O)N(C)Cc1ccccc1F ZINC000489486503 332055674 /nfs/dbraw/zinc/05/56/74/332055674.db2.gz YUNUVEONZWZQAK-OAHLLOKOSA-N 0 1 290.382 2.825 20 30 CFEDMN C=C[C@H]1CCCCN1CC(=O)NCc1ccc(C)cc1 ZINC000489490016 332055954 /nfs/dbraw/zinc/05/59/54/332055954.db2.gz BZHAQSSVXJKHPO-INIZCTEOSA-N 0 1 272.392 2.652 20 30 CFEDMN C#CCN(CC#CC)CCC(=O)Nc1ccccc1Cl ZINC000490679710 332103086 /nfs/dbraw/zinc/10/30/86/332103086.db2.gz URJCXAGGLROKCP-UHFFFAOYSA-N 0 1 288.778 2.627 20 30 CFEDMN C#C[C@@H](NCc1c(Cl)nc2ccccn21)C(C)C ZINC000491268162 332178176 /nfs/dbraw/zinc/17/81/76/332178176.db2.gz XYPPIJWOMLNFMN-LLVKDONJSA-N 0 1 261.756 2.735 20 30 CFEDMN C#C[C@H](C)N(C)Cc1cccc(C(=O)NCC(C)C)c1 ZINC000491464807 332216850 /nfs/dbraw/zinc/21/68/50/332216850.db2.gz UACFHRXUQPFHQH-AWEZNQCLSA-N 0 1 272.392 2.526 20 30 CFEDMN C#C[C@@H](CC)NCc1cc2c(cc1OC(F)F)OCO2 ZINC000491659408 332270044 /nfs/dbraw/zinc/27/00/44/332270044.db2.gz MLUCTHRLOJUTFC-JTQLQIEISA-N 0 1 283.274 2.518 20 30 CFEDMN C#C[C@@H](C)N(C)Cc1ccc(OC)c(OCCCC#N)c1 ZINC000491673683 332279917 /nfs/dbraw/zinc/27/99/17/332279917.db2.gz URUKBBBIGBEHSE-CQSZACIVSA-N 0 1 286.375 2.831 20 30 CFEDMN C#CCN1CCC(C(=O)N2CCC[C@]2(C)CC(C)C)CC1 ZINC000491678908 332283267 /nfs/dbraw/zinc/28/32/67/332283267.db2.gz VWZFICJAGQJHPR-GOSISDBHSA-N 0 1 290.451 2.759 20 30 CFEDMN C#C[C@H](C)N(C)Cc1ccc(OC(C)C)c(OC)c1 ZINC000491702880 332296849 /nfs/dbraw/zinc/29/68/49/332296849.db2.gz HEERUUSSYYLWJW-ZDUSSCGKSA-N 0 1 261.365 2.936 20 30 CFEDMN C#CCN1CCC(c2nc3c(s2)CCCC3)CC1 ZINC000491712874 332303917 /nfs/dbraw/zinc/30/39/17/332303917.db2.gz ZIAMGZVKKWQKTM-UHFFFAOYSA-N 0 1 260.406 2.835 20 30 CFEDMN C#CC[N@@H+]1CCC[C@H]1COC(=O)c1ccc(C)nc1C1CC1 ZINC000491724070 332308619 /nfs/dbraw/zinc/30/86/19/332308619.db2.gz FBRLBSIOFKHLAO-HNNXBMFYSA-N 0 1 298.386 2.522 20 30 CFEDMN C#CCN1CCC[C@H]1COC(=O)c1ccc(C)nc1C1CC1 ZINC000491724070 332308620 /nfs/dbraw/zinc/30/86/20/332308620.db2.gz FBRLBSIOFKHLAO-HNNXBMFYSA-N 0 1 298.386 2.522 20 30 CFEDMN C#C[C@@H](NC(=O)c1[nH]nc2c1CCC2)c1ccc(Cl)cc1 ZINC000491754388 332329466 /nfs/dbraw/zinc/32/94/66/332329466.db2.gz SJOWUNBGTMHAHW-CYBMUJFWSA-N 0 1 299.761 2.656 20 30 CFEDMN C=CCCCCCN(C)C(=O)[C@@H](C)Cc1cnc[nH]1 ZINC000575427939 335103092 /nfs/dbraw/zinc/10/30/92/335103092.db2.gz GDKCKYNZQXKXPC-ZDUSSCGKSA-N 0 1 263.385 2.793 20 30 CFEDMN CC[C@@H](CC#N)NC[C@H](O)Cc1cccc(Cl)c1 ZINC000516935917 333086789 /nfs/dbraw/zinc/08/67/89/333086789.db2.gz NFQYZNUFXMTOLI-UONOGXRCSA-N 0 1 266.772 2.525 20 30 CFEDMN C[C@H](NC[C@H](C#N)CCC#N)[C@H]1Oc2ccccc2[C@H]1C ZINC000517058015 333091211 /nfs/dbraw/zinc/09/12/11/333091211.db2.gz YYLVAPBMAOEPBQ-FHIRATQRSA-N 0 1 283.375 2.973 20 30 CFEDMN Cc1cccnc1C(C)(C)CNC[C@H](C#N)CCC#N ZINC000517268142 333096359 /nfs/dbraw/zinc/09/63/59/333096359.db2.gz BPOSOVBGDLZVGR-AWEZNQCLSA-N 0 1 270.380 2.701 20 30 CFEDMN C=C(C)CN(CC)[C@@H]1CCN(c2c(F)cccc2F)C1=O ZINC000152550352 333124435 /nfs/dbraw/zinc/12/44/35/333124435.db2.gz HVPVFRSNTDZGAB-CQSZACIVSA-N 0 1 294.345 2.968 20 30 CFEDMN Cc1cc(C(C#N)C(=O)c2cnc(C3CC3)s2)nc(C)n1 ZINC000521554152 333178406 /nfs/dbraw/zinc/17/84/06/333178406.db2.gz PNRVKGSTQBKWEL-NSHDSACASA-N 0 1 298.371 2.917 20 30 CFEDMN C#CCN(CCc1ccccc1)Cc1cccnc1 ZINC000191355782 333218500 /nfs/dbraw/zinc/21/85/00/333218500.db2.gz IFXFSZZCFBSLIO-UHFFFAOYSA-N 0 1 250.345 2.760 20 30 CFEDMN Cc1csc(C(C#N)C(=O)c2cnn(C(C)C)c2)n1 ZINC000191436142 333219832 /nfs/dbraw/zinc/21/98/32/333219832.db2.gz MNPRKWGWITUHNC-LLVKDONJSA-N 0 1 274.349 2.719 20 30 CFEDMN CC[C@@H](CC#N)NCCC(=O)Nc1cc(F)cc(F)c1 ZINC000575999206 335140327 /nfs/dbraw/zinc/14/03/27/335140327.db2.gz BXAPKDVWHDXLDZ-LBPRGKRZSA-N 0 1 281.306 2.575 20 30 CFEDMN N#C[C@@H]1CC[C@@H](N2CCN(c3cccc4[nH]ccc43)CC2)C1 ZINC000528761146 333455884 /nfs/dbraw/zinc/45/58/84/333455884.db2.gz CWULVSJIZPULNI-HUUCEWRRSA-N 0 1 294.402 2.982 20 30 CFEDMN N#CCC[C@H](NCc1cnc2cnccn12)c1ccccc1 ZINC000130455664 333842992 /nfs/dbraw/zinc/84/29/92/333842992.db2.gz WVMPYJZQEQIIPA-INIZCTEOSA-N 0 1 291.358 2.864 20 30 CFEDMN CCN(Cc1ccccc1)C(=O)CN1CCC(CC#N)CC1 ZINC000542877764 333847237 /nfs/dbraw/zinc/84/72/37/333847237.db2.gz BLIZANAXLCKEDD-UHFFFAOYSA-N 0 1 299.418 2.661 20 30 CFEDMN C[C@H](NC(=O)OC(C)(C)C)[C@@H]1CCC[N@@H+](CCCC#N)C1 ZINC000133921567 334071328 /nfs/dbraw/zinc/07/13/28/334071328.db2.gz CRKVWYCUPGVDDM-UONOGXRCSA-N 0 1 295.427 2.915 20 30 CFEDMN CCN(C[C@H](C)C#N)C(=O)CN(C)[C@@H](C)c1ccccc1 ZINC000076611428 334085360 /nfs/dbraw/zinc/08/53/60/334085360.db2.gz RIJGRXXHGLWBAM-CABCVRRESA-N 0 1 287.407 2.688 20 30 CFEDMN C[C@@H]1CCN(CC(=O)N(C)C2(C#N)CCCCC2)[C@H](C)C1 ZINC000077320794 334102283 /nfs/dbraw/zinc/10/22/83/334102283.db2.gz MFPZRWDQVUEYPC-HUUCEWRRSA-N 0 1 291.439 2.792 20 30 CFEDMN C=CCC[C@@H](O)CN(Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000135220757 334120042 /nfs/dbraw/zinc/12/00/42/334120042.db2.gz JIJJAROWIAYVEF-OAHLLOKOSA-N 0 1 290.363 2.886 20 30 CFEDMN CCC[C@H](C)[C@@H]1CCC[N@H+]1CC(=O)N[C@@](C)(C#N)C1CC1 ZINC000135341355 334126776 /nfs/dbraw/zinc/12/67/76/334126776.db2.gz MSUGRURKHQHIEN-QRTARXTBSA-N 0 1 291.439 2.695 20 30 CFEDMN N#C[C@H]1CC[C@H](N2CCN(Cc3ccsc3)CC2)C1 ZINC000549746832 334203625 /nfs/dbraw/zinc/20/36/25/334203625.db2.gz CZJKGBCGMGVXAC-ZFWWWQNUSA-N 0 1 275.421 2.558 20 30 CFEDMN N#C[C@@H]1CC[C@H](N2CCC(C#N)(c3ccccn3)CC2)C1 ZINC000550067113 334212235 /nfs/dbraw/zinc/21/22/35/334212235.db2.gz NAODLXRIHNFDDR-CABCVRRESA-N 0 1 280.375 2.631 20 30 CFEDMN C[C@H]1C[C@@H](c2ccccc2)N(CC(=O)NC2(C#N)CCC2)C1 ZINC000552024658 334278096 /nfs/dbraw/zinc/27/80/96/334278096.db2.gz BZUIQJLDXJWNSI-HOCLYGCPSA-N 0 1 297.402 2.632 20 30 CFEDMN C=CCN(C[C@@H](CC)CCCC)[C@H]1CCS(=O)(=O)C1 ZINC000248867452 334320090 /nfs/dbraw/zinc/32/00/90/334320090.db2.gz IIKBATLFSROXQJ-GJZGRUSLSA-N 0 1 287.469 2.878 20 30 CFEDMN N#C[C@H](C(=O)c1scnc1C1CC1)c1ccccn1 ZINC000089966724 334354519 /nfs/dbraw/zinc/35/45/19/334354519.db2.gz XOLFJKYKULBIPX-JTQLQIEISA-N 0 1 269.329 2.906 20 30 CFEDMN N#CC(C(=O)c1scnc1C1CC1)c1ccccn1 ZINC000089966724 334354520 /nfs/dbraw/zinc/35/45/20/334354520.db2.gz XOLFJKYKULBIPX-JTQLQIEISA-N 0 1 269.329 2.906 20 30 CFEDMN Cc1cc(C)n(-c2ccc(CCNCCC#N)cc2)n1 ZINC000566106344 334623564 /nfs/dbraw/zinc/62/35/64/334623564.db2.gz NARRPIFJRHIUKL-UHFFFAOYSA-N 0 1 268.364 2.535 20 30 CFEDMN N#CC1(CNC[C@H](O)Cc2ccccc2C(F)(F)F)CC1 ZINC000567043013 334675966 /nfs/dbraw/zinc/67/59/66/334675966.db2.gz AKWBAJNKQUAJRS-GFCCVEGCSA-N 0 1 298.308 2.502 20 30 CFEDMN N#CC1(CNC[C@@H](O)Cc2ccccc2C(F)(F)F)CC1 ZINC000567043014 334676006 /nfs/dbraw/zinc/67/60/06/334676006.db2.gz AKWBAJNKQUAJRS-LBPRGKRZSA-N 0 1 298.308 2.502 20 30 CFEDMN C=C(C)CNC(=O)NC[C@H](c1ccc(C)o1)N1CCCC1 ZINC000156602233 334745098 /nfs/dbraw/zinc/74/50/98/334745098.db2.gz PCCIYFSVQWGDFJ-CQSZACIVSA-N 0 1 291.395 2.600 20 30 CFEDMN N#CCCC1CCN(CC[S@](=O)c2ccccc2)CC1 ZINC000578067391 335477121 /nfs/dbraw/zinc/47/71/21/335477121.db2.gz LKUSWZFTXDVVCG-FQEVSTJZSA-N 0 1 290.432 2.810 20 30 CFEDMN Cn1cc(CN2CCC(C#N)CC2)c(-c2cccs2)n1 ZINC000179924697 335532660 /nfs/dbraw/zinc/53/26/60/335532660.db2.gz GIRFBOSJYGZCBE-UHFFFAOYSA-N 0 1 286.404 2.884 20 30 CFEDMN C=CCCC[C@H](C)NC(=O)c1n[nH]nc1-c1ccccc1 ZINC000194225967 336009990 /nfs/dbraw/zinc/00/99/90/336009990.db2.gz OABUTOJXLMLDBB-LBPRGKRZSA-N 0 1 284.363 2.946 20 30 CFEDMN C=CCCN1CC[C@H]1CN(C)C(=O)c1conc1C(C)C ZINC001085636112 782120699 /nfs/dbraw/zinc/12/06/99/782120699.db2.gz IJDBVQPPPSMNBF-ZDUSSCGKSA-N 0 1 291.395 2.520 20 30 CFEDMN C#CCCN1CC[C@H]1CN(C)C(=O)[C@H]1CCC=CCCC1 ZINC001085668356 782126240 /nfs/dbraw/zinc/12/62/40/782126240.db2.gz BJESVQKPOJLTPJ-IRXDYDNUSA-N 0 1 288.435 2.679 20 30 CFEDMN C#CCCN1CC[C@@H]1CN(C)C(=O)[C@@H]1CCC=CCCC1 ZINC001085668355 782126866 /nfs/dbraw/zinc/12/68/66/782126866.db2.gz BJESVQKPOJLTPJ-IAGOWNOFSA-N 0 1 288.435 2.679 20 30 CFEDMN C=C(C)CN1CC[C@H]1CN(C)C(=O)c1c[nH]c2ccccc12 ZINC001085703086 782137136 /nfs/dbraw/zinc/13/71/36/782137136.db2.gz HXNACQLMNKXACC-AWEZNQCLSA-N 0 1 297.402 2.890 20 30 CFEDMN CCO[C@@H]1CCCN(Cc2ccc(OC)c(C#N)c2)C1 ZINC000087833285 500705756 /nfs/dbraw/zinc/70/57/56/500705756.db2.gz OPBDMQRABNIZGI-OAHLLOKOSA-N 0 1 274.364 2.568 20 30 CFEDMN Cc1cc(C[C@H](C)Nc2cc(C)c([N+](=O)[O-])cc2C#N)[nH]n1 ZINC000413192953 533763508 /nfs/dbraw/zinc/76/35/08/533763508.db2.gz KCMSONBUFZPNLT-JTQLQIEISA-N 0 1 299.334 2.850 20 30 CFEDMN C=CCC[N@@H+]1CC[C@@H]1CN(C)C(=O)c1cc[nH]c1C(C)C ZINC001085779865 782160253 /nfs/dbraw/zinc/16/02/53/782160253.db2.gz FCCKHLBFMXSAJA-CQSZACIVSA-N 0 1 289.423 2.861 20 30 CFEDMN C[C@H](c1nc(C2(N)CCCC2)no1)c1cccc(C#N)c1 ZINC000414631381 534151899 /nfs/dbraw/zinc/15/18/99/534151899.db2.gz WOSAXURABJBNHM-NSHDSACASA-N 0 1 282.347 2.821 20 30 CFEDMN CC(C)C[C@@H]1COCCN1CCOc1cccc(C#N)c1 ZINC000072978480 519276285 /nfs/dbraw/zinc/27/62/85/519276285.db2.gz BXYRTMCJBNGQJB-MRXNPFEDSA-N 0 1 288.391 2.684 20 30 CFEDMN CC(C)[C@]1(CO)CCN(Cc2cn3ccccc3c2C#N)C1 ZINC000368065261 519830282 /nfs/dbraw/zinc/83/02/82/519830282.db2.gz OYLMJUGSQASPMV-GOSISDBHSA-N 0 1 297.402 2.651 20 30 CFEDMN CCCCN(CCOC)Cc1ccc(F)cc1C#N ZINC000068852890 520535891 /nfs/dbraw/zinc/53/58/91/520535891.db2.gz YEGOHGFBNVOCTQ-UHFFFAOYSA-N 0 1 264.344 2.946 20 30 CFEDMN CCN(Cc1cccc(C#N)c1F)C[C@@H](C)OC ZINC000361573791 521338285 /nfs/dbraw/zinc/33/82/85/521338285.db2.gz OEMDQOBUDJHZPD-LLVKDONJSA-N 0 1 250.317 2.554 20 30 CFEDMN CC[C@H](O)[C@H]1CCCCN1Cc1cccc(C#N)c1F ZINC000340926344 522826169 /nfs/dbraw/zinc/82/61/69/522826169.db2.gz SBMPPPHIUQBZRK-CABCVRRESA-N 0 1 276.355 2.823 20 30 CFEDMN COCC1CCN(Cc2cccc(C#N)c2F)CC1 ZINC000223540422 522935370 /nfs/dbraw/zinc/93/53/70/522935370.db2.gz RQFNJQNZIYSUHR-UHFFFAOYSA-N 0 1 262.328 2.556 20 30 CFEDMN CN(Cc1cc(F)ccc1C#N)C[C@@H]1CCCC[C@H]1O ZINC000245526488 523181857 /nfs/dbraw/zinc/18/18/57/523181857.db2.gz ARVDFZGJXDLXJX-XJKSGUPXSA-N 0 1 276.355 2.680 20 30 CFEDMN CC[C@@H]1CCCC[C@@H]1C(=O)N=c1[nH]n(C(C)C)cc1C#N ZINC000361762485 523183802 /nfs/dbraw/zinc/18/38/02/523183802.db2.gz BEVGQXKSJJQBGH-OCCSQVGLSA-N 0 1 288.395 2.912 20 30 CFEDMN COc1ccc(C#N)cc1CN1CCCO[C@H]2CCC[C@@H]21 ZINC000361750200 523522120 /nfs/dbraw/zinc/52/21/20/523522120.db2.gz HMAISVZKCVPJOB-RDJZCZTQSA-N 0 1 286.375 2.710 20 30 CFEDMN CO[C@@H]1CCN(Cc2cccc(C#N)c2F)C[C@H]1C ZINC000336257743 523688367 /nfs/dbraw/zinc/68/83/67/523688367.db2.gz STPVWQJXNHUTIA-BXUZGUMPSA-N 0 1 262.328 2.554 20 30 CFEDMN N#CCc1cccc(NC(=O)[C@H]2CCCc3[nH]ncc32)c1 ZINC000335007044 534733501 /nfs/dbraw/zinc/73/35/01/534733501.db2.gz WAOHZNUJIGNQDH-ZDUSSCGKSA-N 0 1 280.331 2.534 20 30 CFEDMN C[C@H]1CCCN(CC(=O)Nc2cccc(C#N)c2)CC1 ZINC000068837961 524085538 /nfs/dbraw/zinc/08/55/38/524085538.db2.gz GYWGFHKEOHNBFU-ZDUSSCGKSA-N 0 1 271.364 2.619 20 30 CFEDMN C[C@H](CN1CCCCC1)Nc1nccc(C#N)c1Cl ZINC000235466010 524335252 /nfs/dbraw/zinc/33/52/52/524335252.db2.gz IIALMEQGWLYSDQ-LLVKDONJSA-N 0 1 278.787 2.893 20 30 CFEDMN C[C@H](NCc1ccc(C#N)cc1)c1cncc(F)c1 ZINC000222044552 525435890 /nfs/dbraw/zinc/43/58/90/525435890.db2.gz FJKNUFZPPFPMMF-NSHDSACASA-N 0 1 255.296 2.943 20 30 CFEDMN C[C@@H]1C[C@H](c2cccnc2)N(Cc2cc(C#N)n(C)c2)C1 ZINC000191493207 525468700 /nfs/dbraw/zinc/46/87/00/525468700.db2.gz LOHJICMZIBQKBF-CXAGYDPISA-N 0 1 280.375 2.875 20 30 CFEDMN Cc1nc(C)c(CNC(=O)[C@H]2CCCc3[nH]ncc32)o1 ZINC000329155897 534881431 /nfs/dbraw/zinc/88/14/31/534881431.db2.gz CLSAOQORTONKLK-JTQLQIEISA-N 0 1 274.324 2.591 20 30 CFEDMN CS[C@H]1CCN(Cc2ccc(C#N)c(F)c2)C1 ZINC000336261581 525913778 /nfs/dbraw/zinc/91/37/78/525913778.db2.gz JOEWXROPWHFTGI-LBPRGKRZSA-N 0 1 250.342 2.635 20 30 CFEDMN C[C@H]1CCCC[C@H]1C(=O)N=c1[nH]n(C(C)(C)C)cc1C#N ZINC000335110911 526259934 /nfs/dbraw/zinc/25/99/34/526259934.db2.gz PSKHLGOTCXUUJR-WCQYABFASA-N 0 1 288.395 2.696 20 30 CFEDMN C=CCN(CCC[C@@H](C)O)Cc1ccccc1F ZINC000354871234 526275496 /nfs/dbraw/zinc/27/54/96/526275496.db2.gz MLSVSCBQJFKCHP-CYBMUJFWSA-N 0 1 251.345 2.975 20 30 CFEDMN N#Cc1c(F)cccc1CN1CC[C@@H]([C@H]2CCOC2)C1 ZINC000336110262 526523516 /nfs/dbraw/zinc/52/35/16/526523516.db2.gz CCQGUBIBWVTJAW-OCCSQVGLSA-N 0 1 274.339 2.556 20 30 CFEDMN C=C(C)CN(CC)C(=O)[C@H](C)N(C)Cc1ccccc1O ZINC000111235246 526541329 /nfs/dbraw/zinc/54/13/29/526541329.db2.gz KZJCXDQEOKFVOG-AWEZNQCLSA-N 0 1 290.407 2.637 20 30 CFEDMN N#Cc1cc(CN2CCC[C@@]3(CCOC3)C2)ccc1F ZINC000335039310 526549731 /nfs/dbraw/zinc/54/97/31/526549731.db2.gz HTOJSEXZKRWJHR-MRXNPFEDSA-N 0 1 274.339 2.700 20 30 CFEDMN C=C(C)CN(CC[C@@H](C)F)Cc1ccc(CO)o1 ZINC000352814879 526553456 /nfs/dbraw/zinc/55/34/56/526553456.db2.gz KDZUYSCGPDAOEP-GFCCVEGCSA-N 0 1 255.333 2.898 20 30 CFEDMN Cc1noc(C2(C)CCN(Cc3ccc(C#N)cc3)CC2)n1 ZINC000364701131 526578973 /nfs/dbraw/zinc/57/89/73/526578973.db2.gz WCKKOUVESQFFME-UHFFFAOYSA-N 0 1 296.374 2.803 20 30 CFEDMN C=CCNC(=O)Nc1ccc(NCc2[nH]ncc2C)cc1 ZINC000352808181 526620425 /nfs/dbraw/zinc/62/04/25/526620425.db2.gz BOHORYNIABVXFP-UHFFFAOYSA-N 0 1 285.351 2.638 20 30 CFEDMN N#Cc1ccc(CNCc2ccccc2-n2ccnc2)o1 ZINC000174302237 526625392 /nfs/dbraw/zinc/62/53/92/526625392.db2.gz ZZJSAJQZUITQCG-UHFFFAOYSA-N 0 1 278.315 2.627 20 30 CFEDMN N#Cc1ccc(CN[C@@H]2C[C@@H](CO)c3ccccc32)s1 ZINC000364983689 526626656 /nfs/dbraw/zinc/62/66/56/526626656.db2.gz BNHHJQIIQYPWTA-MEDUHNTESA-N 0 1 284.384 2.930 20 30 CFEDMN C=CCOCC(=O)Nc1cccc2c1CN(CC(C)C)C2 ZINC000344488657 526725255 /nfs/dbraw/zinc/72/52/55/526725255.db2.gz BZLLYCINYKFXOT-UHFFFAOYSA-N 0 1 288.391 2.799 20 30 CFEDMN C=CCOc1cccc(CN2CCSC[C@H]2CCO)c1 ZINC000355084667 526900210 /nfs/dbraw/zinc/90/02/10/526900210.db2.gz WEHUNGZABMXOCB-OAHLLOKOSA-N 0 1 293.432 2.551 20 30 CFEDMN C=CCOc1cccc(NC(=O)[C@@H](C(C)C)N(C)C)c1 ZINC000106910763 526917904 /nfs/dbraw/zinc/91/79/04/526917904.db2.gz RYQMHPCCYSYBLG-OAHLLOKOSA-N 0 1 276.380 2.776 20 30 CFEDMN C=CCCC[C@@H](C)NC(=O)N1CCNC[C@@H]1CCC ZINC000417992523 527263238 /nfs/dbraw/zinc/26/32/38/527263238.db2.gz WNRWHZYMRKNTDL-KGLIPLIRSA-N 0 1 267.417 2.515 20 30 CFEDMN C=CCn1c(CCC(C)C)n[n-]c1=[NH+]c1c(C)n[nH]c1C ZINC000350741355 527315859 /nfs/dbraw/zinc/31/58/59/527315859.db2.gz OBHRLOQGQYZRDR-UHFFFAOYSA-N 0 1 288.399 2.558 20 30 CFEDMN Cn1ccnc1CC1CCN(Cc2ccccc2C#N)CC1 ZINC000171599468 527427662 /nfs/dbraw/zinc/42/76/62/527427662.db2.gz DJNIHKDIDKXKJS-UHFFFAOYSA-N 0 1 294.402 2.746 20 30 CFEDMN CCOC(=O)CC(C)(C)CCN(C)[C@@H](C)CC#N ZINC000347057436 528661586 /nfs/dbraw/zinc/66/15/86/528661586.db2.gz OWNMEKAZCSHONW-LBPRGKRZSA-N 0 1 254.374 2.590 20 30 CFEDMN CC[C@@H](C)N1CCN(C(=O)[C@@H](C)c2cccc(C#N)c2)CC1 ZINC000456520807 535562864 /nfs/dbraw/zinc/56/28/64/535562864.db2.gz KHZBOAJGPZNQQL-CABCVRRESA-N 0 1 299.418 2.604 20 30 CFEDMN COC[C@H]1CCCN(Cc2cc(F)ccc2C#N)CC1 ZINC000452075825 536526968 /nfs/dbraw/zinc/52/69/68/536526968.db2.gz DJOBHWZHAVCXSU-ZDUSSCGKSA-N 0 1 276.355 2.946 20 30 CFEDMN CO[C@@H]1C[C@@H](NCc2ccc(F)cc2C#N)C12CCC2 ZINC000459760895 536796184 /nfs/dbraw/zinc/79/61/84/536796184.db2.gz MUXKIUYTCTVVTN-HUUCEWRRSA-N 0 1 274.339 2.745 20 30 CFEDMN Cc1ccc([C@@H](C)C(=O)[C@@H](C#N)c2cc(C)nc(C)n2)o1 ZINC000744026224 574049754 /nfs/dbraw/zinc/04/97/54/574049754.db2.gz KXDORRKMLSGDHR-YPMHNXCESA-N 0 1 283.331 2.975 20 30 CFEDMN CC(=CN=NC1=N[C@@H]2CCCC[C@H]2N1)Cc1ccccc1 ZINC000753935796 574055861 /nfs/dbraw/zinc/05/58/61/574055861.db2.gz PXFNKVLLVSOHJY-NFSIQMPASA-N 0 1 282.391 2.936 20 30 CFEDMN CCc1ccc(C(C)=NNC2=N[C@@H]3CCCC[C@H]3N2)cc1 ZINC000753935354 574055911 /nfs/dbraw/zinc/05/59/11/574055911.db2.gz NPGWNLZEFWBBQR-HZPDHXFCSA-N 0 1 284.407 2.833 20 30 CFEDMN CC(=NNC1=N[C@H]2CCCC[C@@H]2N1)c1cc(C)cc(C)c1 ZINC000753934794 574055975 /nfs/dbraw/zinc/05/59/75/574055975.db2.gz KNZIOKOGXNUUPH-HOTGVXAUSA-N 0 1 284.407 2.887 20 30 CFEDMN CC(=NNC1=N[C@@H]2CCCC[C@H]2N1)c1ccc(C)c(C)c1 ZINC000753934096 574056204 /nfs/dbraw/zinc/05/62/04/574056204.db2.gz FUSGFVQWRIFWQS-HZPDHXFCSA-N 0 1 284.407 2.887 20 30 CFEDMN Fc1ccc2c(C=NNC3=N[C@H]4CCCC[C@@H]4N3)c[nH]c2c1 ZINC000753936117 574056407 /nfs/dbraw/zinc/05/64/07/574056407.db2.gz RRHKTEVMLSXIHL-KBPBESRZSA-N 0 1 299.353 2.501 20 30 CFEDMN C[C@@H](OC(=O)c1[nH]nc2c1CCC2)c1cccc(C#N)c1 ZINC000727636118 574057594 /nfs/dbraw/zinc/05/75/94/574057594.db2.gz GPZQWGOHRKXTMH-SNVBAGLBSA-N 0 1 281.315 2.688 20 30 CFEDMN CCC[C@@H](C)N(C)Cc1nc2ccccc2c(=O)n1CC#N ZINC000744388176 574071999 /nfs/dbraw/zinc/07/19/99/574071999.db2.gz NNBMKZVNLYKFAR-CYBMUJFWSA-N 0 1 298.390 2.540 20 30 CFEDMN Cc1cc(N=NCc2cc(F)c(F)c(F)c2)nc(C)n1 ZINC000727969822 574075180 /nfs/dbraw/zinc/07/51/80/574075180.db2.gz LPZWSDLQYPZYTR-UHFFFAOYSA-N 0 1 280.253 2.957 20 30 CFEDMN C[C@@H]1CCC[N@H+]([C@@H](C(=O)[O-])c2ccc(C#N)cc2)CC1 ZINC000736793127 574075485 /nfs/dbraw/zinc/07/54/85/574075485.db2.gz JUALAUNBINTVGX-IUODEOHRSA-N 0 1 272.348 2.806 20 30 CFEDMN CC#CCOC(=O)[C@H]1CCCN(Cc2cccc(F)c2)C1 ZINC000745091802 574101183 /nfs/dbraw/zinc/10/11/83/574101183.db2.gz AEGMNPHOSBRIBI-HNNXBMFYSA-N 0 1 289.350 2.604 20 30 CFEDMN C#CCOc1cccc(NC(=O)[C@H]2CCCN2CCC)c1 ZINC000731011122 574106801 /nfs/dbraw/zinc/10/68/01/574106801.db2.gz IQJGEOLHXKPQKK-MRXNPFEDSA-N 0 1 286.375 2.512 20 30 CFEDMN Fc1ccc(N=NCc2cnn(-c3ccccc3)c2)nc1 ZINC000731321341 574116895 /nfs/dbraw/zinc/11/68/95/574116895.db2.gz GPXGAKCZBHUITM-UHFFFAOYSA-N 0 1 281.294 2.852 20 30 CFEDMN Cc1cc(CN=Nc2cccc([N+](=O)[O-])c2)c(C)n1C ZINC000754895353 574127581 /nfs/dbraw/zinc/12/75/81/574127581.db2.gz OEAFYDSSGJOBCJ-UHFFFAOYSA-N 0 1 272.308 2.996 20 30 CFEDMN C#CCCCN[C@@H](C)c1nc(-c2cccc(OC)c2)no1 ZINC000755055390 574134581 /nfs/dbraw/zinc/13/45/81/574134581.db2.gz VUGMXSXIYRQFNJ-LBPRGKRZSA-N 0 1 285.347 2.809 20 30 CFEDMN Cc1ccccc1C=NNc1ccccc1S(C)(=O)=O ZINC000731933966 574135020 /nfs/dbraw/zinc/13/50/20/574135020.db2.gz SHHDKMRCWDUVGS-UHFFFAOYSA-N 0 1 288.372 2.845 20 30 CFEDMN C=CC1CCN(CC(=O)N[C@H](C)CCCCC)CC1 ZINC000732206305 574146319 /nfs/dbraw/zinc/14/63/19/574146319.db2.gz ZDUWTKHAGJYAGT-CQSZACIVSA-N 0 1 266.429 2.969 20 30 CFEDMN C=CC[N@@H+](CC(=O)NCc1cccc(C)c1)C(C)C ZINC000732197641 574146832 /nfs/dbraw/zinc/14/68/32/574146832.db2.gz KHCCKLPQRQJNRJ-UHFFFAOYSA-N 0 1 260.381 2.508 20 30 CFEDMN C=CCN(CC(=O)NCc1cccc(C)c1)C(C)C ZINC000732197641 574146835 /nfs/dbraw/zinc/14/68/35/574146835.db2.gz KHCCKLPQRQJNRJ-UHFFFAOYSA-N 0 1 260.381 2.508 20 30 CFEDMN Cc1cc(=O)nc(NN=C[C@H]2C[C@@H]2c2ccccc2)[nH]1 ZINC000755463415 574163504 /nfs/dbraw/zinc/16/35/04/574163504.db2.gz IOSHDFNBSVPOAW-CHWSQXEVSA-N 0 1 268.320 2.692 20 30 CFEDMN Cc1nc[nH]c1C=NNC(=S)Nc1ccc(C)cc1C ZINC000755491529 574165431 /nfs/dbraw/zinc/16/54/31/574165431.db2.gz ZZGHAKXGNFBEBF-UHFFFAOYSA-N 0 1 287.392 2.655 20 30 CFEDMN NC(=O)c1cccc(CN=Nc2ccc3ccccc3n2)c1 ZINC000755489623 574165528 /nfs/dbraw/zinc/16/55/28/574165528.db2.gz XYHIFYBZYKDKIU-UHFFFAOYSA-N 0 1 290.326 2.780 20 30 CFEDMN C=CC[N@@H+](Cc1cccc(C#N)c1)C[C@H]1CCN(C(=O)[O-])C1 ZINC000738490267 574171317 /nfs/dbraw/zinc/17/13/17/574171317.db2.gz PJNYYFQMKKIEOT-MRXNPFEDSA-N 0 1 299.374 2.546 20 30 CFEDMN Cc1nc[nH]c1C=NNc1cccc2cnccc21 ZINC000755700768 574179313 /nfs/dbraw/zinc/17/93/13/574179313.db2.gz ZWCQDAAKGGBJKR-UHFFFAOYSA-N 0 1 251.293 2.712 20 30 CFEDMN COc1nc2ccccc2cc1C=NNc1ccc(C)nn1 ZINC000755699414 574179356 /nfs/dbraw/zinc/17/93/56/574179356.db2.gz PJHYNKXQBJVDKS-UHFFFAOYSA-N 0 1 293.330 2.788 20 30 CFEDMN COc1ccc(CN[C@@H](CO)c2ccccc2C)cc1C#N ZINC000747100441 574179772 /nfs/dbraw/zinc/17/97/72/574179772.db2.gz HXCLEZBIHFZKEJ-KRWDZBQOSA-N 0 1 296.370 2.699 20 30 CFEDMN CCc1nc(C=NNc2cc(Cl)nc(C)n2)cs1 ZINC000755745418 574183453 /nfs/dbraw/zinc/18/34/53/574183453.db2.gz UFOJGHCUAYVKHS-UHFFFAOYSA-N 0 1 281.772 2.903 20 30 CFEDMN COc1cccc(OC)c1C=NNc1cc(C)ccn1 ZINC000755770600 574186341 /nfs/dbraw/zinc/18/63/41/574186341.db2.gz LPIMKALGJCNMTQ-UHFFFAOYSA-N 0 1 271.320 2.853 20 30 CFEDMN C[C@H](NC(=S)NN=Cc1cccc(Cl)c1O)C1CC1 ZINC000753166278 574190471 /nfs/dbraw/zinc/19/04/71/574190471.db2.gz FEVVGFXLKXIIIC-QMMMGPOBSA-N 0 1 297.811 2.642 20 30 CFEDMN NC(=O)c1csc(C=NNc2ccc3ccccc3n2)c1 ZINC000755871427 574193258 /nfs/dbraw/zinc/19/32/58/574193258.db2.gz FWMOQLWVBRLWSI-UHFFFAOYSA-N 0 1 296.355 2.841 20 30 CFEDMN C[C@@H](N=NC1CN(C2CC2)C[C@H]1C)c1ccccc1 ZINC000755890686 574194413 /nfs/dbraw/zinc/19/44/13/574194413.db2.gz OUJNQNHUIRMJKO-CHWSQXEVSA-N 0 1 257.381 2.807 20 30 CFEDMN C[C@H](c1ccc(C#N)cc1)[N@@H+]1C[C@@H](C)N(C(=O)[O-])[C@@H](C)C1 ZINC000739054991 574195378 /nfs/dbraw/zinc/19/53/78/574195378.db2.gz VHZZBHKBWFBEMB-FRRDWIJNSA-N 0 1 287.363 2.692 20 30 CFEDMN C[C@@H](c1ccc(C#N)cc1)[N@@H+]1C[C@@H](C)N(C(=O)[O-])[C@@H](C)C1 ZINC000739054998 574195644 /nfs/dbraw/zinc/19/56/44/574195644.db2.gz VHZZBHKBWFBEMB-XQQFMLRXSA-N 0 1 287.363 2.692 20 30 CFEDMN N#CC(C(=O)NCc1ccccc1)C(=O)[C@@H]1CC12CCCC2 ZINC000747480029 574197418 /nfs/dbraw/zinc/19/74/18/574197418.db2.gz QJDNBVPLNRMHGI-CABCVRRESA-N 0 1 296.370 2.592 20 30 CFEDMN C[C@H](c1ccc(C#N)cc1)[N@H+]1CC[C@@H](NC(=O)[O-])[C@H](C)C1 ZINC000739171578 574200104 /nfs/dbraw/zinc/20/01/04/574200104.db2.gz CKIBAADWKSFOHG-LALPHHSUSA-N 0 1 287.363 2.597 20 30 CFEDMN C=CCN(C(=O)Nc1cnn(-c2ccncc2)c1)C(C)C ZINC000747546548 574201030 /nfs/dbraw/zinc/20/10/30/574201030.db2.gz KBNJRKVJNOMWQK-UHFFFAOYSA-N 0 1 285.351 2.696 20 30 CFEDMN CC(C)[C@@H]1CCCC1=NNCCN1CCCCC1 ZINC000747753685 574210711 /nfs/dbraw/zinc/21/07/11/574210711.db2.gz TXOJGXQIAGYQPM-AWEZNQCLSA-N 0 1 251.418 2.874 20 30 CFEDMN CCN(CC)c1ccc(CN=Nc2cnccn2)cc1F ZINC000739410991 574212494 /nfs/dbraw/zinc/21/24/94/574212494.db2.gz AXMDZXWBSKYDQM-UHFFFAOYSA-N 0 1 287.342 2.908 20 30 CFEDMN C#CCOc1ccc(CNCc2cccc(F)n2)cc1 ZINC000747935780 574220982 /nfs/dbraw/zinc/22/09/82/574220982.db2.gz MOPGFUAZRNUREV-UHFFFAOYSA-N 0 1 270.307 2.523 20 30 CFEDMN CC#CCN1CCC[C@@H](C)[C@H]1CNC(=O)OC(C)(C)C ZINC000747971499 574222578 /nfs/dbraw/zinc/22/25/78/574222578.db2.gz YGFUKINNEOMEQU-ZIAGYGMSSA-N 0 1 280.412 2.635 20 30 CFEDMN C[C@H]1CCC[C@@H](OCC(=O)Nc2cc(C#N)ccc2O)C1 ZINC000748005437 574224674 /nfs/dbraw/zinc/22/46/74/574224674.db2.gz KKASLFUHEWNMLC-WCQYABFASA-N 0 1 288.347 2.798 20 30 CFEDMN C#CCN1CCC[C@@H]1COC(=O)[C@@H](C)c1ccc(CC)cc1 ZINC000729812045 574232946 /nfs/dbraw/zinc/23/29/46/574232946.db2.gz JXCNZMBALPHTBJ-MAUKXSAKSA-N 0 1 299.414 2.993 20 30 CFEDMN C#CCN1CCC[C@@H]1COC(=O)C[C@H]1CCCC[C@@H]1C ZINC000729812147 574233382 /nfs/dbraw/zinc/23/33/82/574233382.db2.gz NFQLEJPNTHJPGK-ARFHVFGLSA-N 0 1 277.408 2.844 20 30 CFEDMN C#CCN1CCC[C@@H]1COC(=O)C(C)(C)c1ccccc1 ZINC000729808920 574233404 /nfs/dbraw/zinc/23/34/04/574233404.db2.gz GYUTXJXTUNPQJD-MRXNPFEDSA-N 0 1 285.387 2.605 20 30 CFEDMN C#CCN1CCC[C@H]1COC(=O)C[C@@H]1CCc2ccccc21 ZINC000756545765 574245836 /nfs/dbraw/zinc/24/58/36/574245836.db2.gz VGTMLOUNYSSUNA-IRXDYDNUSA-N 0 1 297.398 2.747 20 30 CFEDMN CCCCSCC(=O)Nc1cc(C#N)ccc1O ZINC000748412250 574251301 /nfs/dbraw/zinc/25/13/01/574251301.db2.gz OIVFLCZZFWKUAE-UHFFFAOYSA-N 0 1 264.350 2.736 20 30 CFEDMN CC1(C)C(C(=O)Nc2cc(C#N)ccc2O)C1(C)C ZINC000748412315 574251419 /nfs/dbraw/zinc/25/14/19/574251419.db2.gz QLSHMJUXHFELEE-UHFFFAOYSA-N 0 1 258.321 2.885 20 30 CFEDMN Brc1ccc(C=NNc2ccccn2)nc1 ZINC000733745884 574254631 /nfs/dbraw/zinc/25/46/31/574254631.db2.gz DMGUUFLARQUECR-UHFFFAOYSA-N 0 1 277.125 2.685 20 30 CFEDMN Cc1nc(CN=Nc2ccncc2Cl)c2ccccn12 ZINC000756842534 574267200 /nfs/dbraw/zinc/26/72/00/574267200.db2.gz UNHQAAIRGKLVAQ-UHFFFAOYSA-N 0 1 285.738 2.559 20 30 CFEDMN C#CCN(CC(=O)N[C@@H]1CCC[C@@H](C)[C@@H]1C)C1CCCC1 ZINC000756911561 574272800 /nfs/dbraw/zinc/27/28/00/574272800.db2.gz VKBLOMYZTOOVJB-HLLBOEOZSA-N 0 1 290.451 2.805 20 30 CFEDMN c1[nH]nc(-c2ccccc2)c1CN=Nc1ccccn1 ZINC000755520528 574273166 /nfs/dbraw/zinc/27/31/66/574273166.db2.gz ZSADOTMMJZPQOZ-UHFFFAOYSA-N 0 1 263.304 2.918 20 30 CFEDMN Fc1cc(F)c(N=NCc2ccccn2)cc1F ZINC000734301819 574280946 /nfs/dbraw/zinc/28/09/46/574280946.db2.gz QVTKHHDEWHRRAP-UHFFFAOYSA-N 0 1 251.211 2.945 20 30 CFEDMN Cc1nn(C)c(C)c1CN=Nc1cc(F)c(F)cc1F ZINC000734302916 574280957 /nfs/dbraw/zinc/28/09/57/574280957.db2.gz VDGILOWCOWBPPG-UHFFFAOYSA-N 0 1 282.269 2.900 20 30 CFEDMN C=CCCO[C@@H](C)C(=O)Nc1ccc(CN(C)C)c(F)c1 ZINC000749250583 574286426 /nfs/dbraw/zinc/28/64/26/574286426.db2.gz LLXMBHCHAYXKHB-LBPRGKRZSA-N 0 1 294.370 2.807 20 30 CFEDMN C[C@@](C#N)(NC(=O)C(F)(F)C(F)F)C1CCCCC1 ZINC000749390381 574292605 /nfs/dbraw/zinc/29/26/05/574292605.db2.gz AHXPCOTUPGWSCS-NSHDSACASA-N 0 1 280.265 2.866 20 30 CFEDMN Oc1ccc(F)cc1C=NNc1ncnc2sccc21 ZINC000755589070 574302847 /nfs/dbraw/zinc/30/28/47/574302847.db2.gz MJSYAWPUZQXOPP-UHFFFAOYSA-N 0 1 288.307 2.982 20 30 CFEDMN C=CCCN1CCN(C(=O)OC(C)(C)C)[C@@H](C)C1 ZINC000741798310 574304330 /nfs/dbraw/zinc/30/43/30/574304330.db2.gz HTOVYEHSVNXZNY-LBPRGKRZSA-N 0 1 254.374 2.504 20 30 CFEDMN CC(=NN=c1cc[nH]c(N(C)C)n1)c1ccc(C)cc1C ZINC000739412764 574308020 /nfs/dbraw/zinc/30/80/20/574308020.db2.gz BDLFYZDUXGGUJF-UHFFFAOYSA-N 0 1 283.379 2.996 20 30 CFEDMN Cc1cc(C(C#N)C(=O)C[C@H](C)n2cccc2)nc(C)n1 ZINC000735208589 574316454 /nfs/dbraw/zinc/31/64/54/574316454.db2.gz MJDSFOAOOWHUGS-GXTWGEPZSA-N 0 1 282.347 2.723 20 30 CFEDMN CN(Cn1ccc(-c2ccc(C#N)cc2)n1)C1CCC1 ZINC000742169552 574317271 /nfs/dbraw/zinc/31/72/71/574317271.db2.gz HIOYXVMWOXCEKU-UHFFFAOYSA-N 0 1 266.348 2.864 20 30 CFEDMN Cc1ccc2[nH]cc(C=NNCCN3CCCCC3)c2c1 ZINC000735612420 574331122 /nfs/dbraw/zinc/33/11/22/574331122.db2.gz KGGWPKHYOTULLQ-UHFFFAOYSA-N 0 1 284.407 2.886 20 30 CFEDMN CS[C@H](C)C(=O)[C@@H](C#N)c1nc2cccc(C)c2[nH]1 ZINC000735792075 574335940 /nfs/dbraw/zinc/33/59/40/574335940.db2.gz HFBMYPZQMPBZIF-NXEZZACHSA-N 0 1 273.361 2.799 20 30 CFEDMN Cn1c2ccccc2nc1C(C#N)C(=O)C1(C)CCC1 ZINC000750680361 574350786 /nfs/dbraw/zinc/35/07/86/574350786.db2.gz VCLYLBDWHMLNFB-LLVKDONJSA-N 0 1 267.332 2.940 20 30 CFEDMN C[C@@H]1CN(C2CC2)CC1N=Nc1c(F)cccc1F ZINC000755892412 574361980 /nfs/dbraw/zinc/36/19/80/574361980.db2.gz ULYKQQANXKDNFE-SECBINFHSA-N 0 1 265.307 2.847 20 30 CFEDMN CCC(N=Nc1ccc(Cl)nc1)c1cnn(C)c1 ZINC000743450236 574364794 /nfs/dbraw/zinc/36/47/94/574364794.db2.gz NRGBTFYRQNDTQF-UHFFFAOYSA-N 0 1 263.732 2.695 20 30 CFEDMN Cc1n[nH]c(C)c1CN=Nc1cccc(F)c1F ZINC000743442658 574365075 /nfs/dbraw/zinc/36/50/75/574365075.db2.gz BXAKJRWSAOVWBU-UHFFFAOYSA-N 0 1 250.252 2.751 20 30 CFEDMN O=[N+]([O-])c1ccc(O)cc1C=NNc1cccc(F)c1 ZINC000751130309 574369896 /nfs/dbraw/zinc/36/98/96/574369896.db2.gz HXJVHESWFRETDS-UHFFFAOYSA-N 0 1 275.239 2.886 20 30 CFEDMN Cc1ccc(N=NC2CN(Cc3ccccc3)C[C@H]2C)nn1 ZINC000751529757 574378578 /nfs/dbraw/zinc/37/85/78/574378578.db2.gz VLRWSXIRUJIZKG-CYBMUJFWSA-N 0 1 295.390 2.705 20 30 CFEDMN C[C@@H]1CN(C)CC1N=Nc1ncc(Cl)cc1Cl ZINC000752158031 574388572 /nfs/dbraw/zinc/38/85/72/574388572.db2.gz IVAVRIRRESQZTP-SSDOTTSWSA-N 0 1 273.167 2.738 20 30 CFEDMN N#CC(=C(O)c1ccc(C#N)[nH]1)c1ccc2ccccc2n1 ZINC000752474448 574391641 /nfs/dbraw/zinc/39/16/41/574391641.db2.gz UKYPBHLNSAZMSF-ZDUSSCGKSA-N 0 1 286.294 2.925 20 30 CFEDMN Cc1ccc(NN=Cc2cnc(-c3ccncc3)s2)nn1 ZINC000753165633 574399705 /nfs/dbraw/zinc/39/97/05/574399705.db2.gz JJZRCOUDQAXMGE-UHFFFAOYSA-N 0 1 296.359 2.750 20 30 CFEDMN CC(=NN=c1[nH]c2ccccc2n1C)c1cc(O)cc(O)c1 ZINC000753697367 574408153 /nfs/dbraw/zinc/40/81/53/574408153.db2.gz NOSIOEUEOUOGFO-UHFFFAOYSA-N 0 1 296.330 2.821 20 30 CFEDMN CC(=NNc1cnnc2ccccc21)c1cc(O)cc(O)c1 ZINC000753700971 574408210 /nfs/dbraw/zinc/40/82/10/574408210.db2.gz PJQUBMAYYZVFJX-UHFFFAOYSA-N 0 1 294.314 2.877 20 30 CFEDMN C=CC[N@H+](CCCc1c(F)cccc1Cl)CC(=O)[O-] ZINC000901586991 620862836 /nfs/dbraw/zinc/86/28/36/620862836.db2.gz SCEUJYHDANUJJM-UHFFFAOYSA-N 0 1 285.746 2.984 20 30 CFEDMN C[C@H](C#N)C[N@H+](Cc1cccc(C(=O)[O-])c1)C1CC1 ZINC000819874922 598211783 /nfs/dbraw/zinc/21/17/83/598211783.db2.gz SRCDMHQWDFCJII-LLVKDONJSA-N 0 1 258.321 2.509 20 30 CFEDMN C[C@H](C#N)C[N@@H+](Cc1cccc(C(=O)[O-])c1)C1CC1 ZINC000819874922 598211784 /nfs/dbraw/zinc/21/17/84/598211784.db2.gz SRCDMHQWDFCJII-LLVKDONJSA-N 0 1 258.321 2.509 20 30 CFEDMN C=CC[N@@H+](C/C=C(/C)C(=O)[O-])Cc1ccccc1F ZINC000825682189 601051479 /nfs/dbraw/zinc/05/14/79/601051479.db2.gz SBBWIGHRGUTPIB-WQLSENKSSA-N 0 1 263.312 2.845 20 30 CFEDMN C=CC[N@H+](C/C=C(/C)C(=O)[O-])Cc1ccccc1F ZINC000825682189 601051482 /nfs/dbraw/zinc/05/14/82/601051482.db2.gz SBBWIGHRGUTPIB-WQLSENKSSA-N 0 1 263.312 2.845 20 30 CFEDMN C=CC[N@@H+](C/C=C(\C)C(=O)[O-])CCc1ccccc1 ZINC000825682208 601159695 /nfs/dbraw/zinc/15/96/95/601159695.db2.gz TXMRTJBXAIOCQK-NTEUORMPSA-N 0 1 259.349 2.748 20 30 CFEDMN CC(C)CCN(CCC#N)Cc1ccccc1-c1nn[nH]n1 ZINC000820076314 599640134 /nfs/dbraw/zinc/64/01/34/599640134.db2.gz GLCCGBASUXFEBM-UHFFFAOYSA-N 0 1 298.394 2.628 20 30 CFEDMN CC[N@H+](CCC#N)[C@H](C(=O)[O-])c1cccc(Cl)c1 ZINC000829692700 601011883 /nfs/dbraw/zinc/01/18/83/601011883.db2.gz NAACTEGVRIGZEF-LBPRGKRZSA-N 0 1 266.728 2.701 20 30 CFEDMN CC[N@@H+](CCC#N)[C@H](C(=O)[O-])c1cccc(Cl)c1 ZINC000829692700 601011885 /nfs/dbraw/zinc/01/18/85/601011885.db2.gz NAACTEGVRIGZEF-LBPRGKRZSA-N 0 1 266.728 2.701 20 30 CFEDMN CC(C)(C#N)CCC[N@H+]1CCCC[C@H]1CC(=O)[O-] ZINC000087599990 601113087 /nfs/dbraw/zinc/11/30/87/601113087.db2.gz UNTSOSLUCLLZAU-LBPRGKRZSA-N 0 1 252.358 2.646 20 30 CFEDMN C=CC[N@H+](C/C=C(\C)C(=O)[O-])Cc1cccc([N+](=O)[O-])c1 ZINC000825682357 601159446 /nfs/dbraw/zinc/15/94/46/601159446.db2.gz XYNGBJHHBGGTCR-KPKJPENVSA-N 0 1 290.319 2.614 20 30 CFEDMN C[N@@H+](Cc1ccccc1)[C@@H](C(=O)[O-])c1cccc(C#N)c1 ZINC000830852862 601309343 /nfs/dbraw/zinc/30/93/43/601309343.db2.gz VLMYMJMUEFJDST-MRXNPFEDSA-N 0 1 280.327 2.816 20 30 CFEDMN C[N@@H+](Cc1cccc(F)c1)[C@H](C(=O)[O-])c1cccc(C#N)c1 ZINC000830844840 601309420 /nfs/dbraw/zinc/30/94/20/601309420.db2.gz JBOZDHXDSCFUAQ-INIZCTEOSA-N 0 1 298.317 2.955 20 30 CFEDMN C[C@@H]1CCC[N@H+]([C@@H](C(=O)[O-])c2cccc(C#N)c2)CC1 ZINC000828265578 601314977 /nfs/dbraw/zinc/31/49/77/601314977.db2.gz CYXIMNCFVNDMSO-IUODEOHRSA-N 0 1 272.348 2.806 20 30 CFEDMN N#Cc1cccc([C@@H](C(=O)[O-])[N@H+]2CC[C@H](c3ccco3)C2)c1 ZINC000833073604 601318258 /nfs/dbraw/zinc/31/82/58/601318258.db2.gz FLMSOCJWGUEKSZ-HOCLYGCPSA-N 0 1 296.326 2.766 20 30 CFEDMN C[N@@H+](Cc1cccc(O)c1)[C@H](C(=O)[O-])c1cccc(C#N)c1 ZINC000830851890 601318700 /nfs/dbraw/zinc/31/87/00/601318700.db2.gz HYVHEGZOXNNIHH-INIZCTEOSA-N 0 1 296.326 2.522 20 30 CFEDMN C[N@@H+](Cc1cccc(O)c1)[C@@H](C(=O)[O-])c1cccc(C#N)c1 ZINC000830851891 601318758 /nfs/dbraw/zinc/31/87/58/601318758.db2.gz HYVHEGZOXNNIHH-MRXNPFEDSA-N 0 1 296.326 2.522 20 30 CFEDMN O=C([O-])[C@@H]1CCCC[N@@H+]1CC#Cc1ccc(Cl)cc1 ZINC000833188814 601411388 /nfs/dbraw/zinc/41/13/88/601411388.db2.gz MGRBGYHEBUFJHN-AWEZNQCLSA-N 0 1 277.751 2.631 20 30 CFEDMN O=C([O-])[C@@H]1CCCC[N@H+]1CC#Cc1ccc(Cl)cc1 ZINC000833188814 601411390 /nfs/dbraw/zinc/41/13/90/601411390.db2.gz MGRBGYHEBUFJHN-AWEZNQCLSA-N 0 1 277.751 2.631 20 30 CFEDMN CCN(CCCOc1ccc(C#N)cc1)C[C@@H](C)C#N ZINC000042324113 620649516 /nfs/dbraw/zinc/64/95/16/620649516.db2.gz VDIVCERETOSSST-AWEZNQCLSA-N 0 1 271.364 2.809 20 30 CFEDMN CC(C)C[N@@H+](CCC#N)Cc1ccc(C(=O)[O-])cc1 ZINC000044420194 601760250 /nfs/dbraw/zinc/76/02/50/601760250.db2.gz BUOZFZCUSMAIQS-UHFFFAOYSA-N 0 1 260.337 2.756 20 30 CFEDMN C=CCCC(=O)OC[C@H]1CCN1Cc1ccccc1 ZINC000851466417 634379998 /nfs/dbraw/zinc/37/99/98/634379998.db2.gz IGUXERJIECPSRZ-OAHLLOKOSA-N 0 1 259.349 2.770 20 30 CFEDMN CC(C)[N@H+](CCC#N)Cc1ccc(O[C@@H](C)C(=O)[O-])cc1 ZINC000833537660 604572053 /nfs/dbraw/zinc/57/20/53/604572053.db2.gz NIRLOSNTXVWXNR-ZDUSSCGKSA-N 0 1 290.363 2.663 20 30 CFEDMN CC(C)[N@@H+](CCC#N)Cc1ccc(O[C@@H](C)C(=O)[O-])cc1 ZINC000833537660 604572057 /nfs/dbraw/zinc/57/20/57/604572057.db2.gz NIRLOSNTXVWXNR-ZDUSSCGKSA-N 0 1 290.363 2.663 20 30 CFEDMN C=CCOc1ccc(C[N@@H+]2CCC[C@H]2CC(=O)[O-])cc1 ZINC000833377867 604659389 /nfs/dbraw/zinc/65/93/89/604659389.db2.gz PWDUIQVAFTXZHJ-AWEZNQCLSA-N 0 1 275.348 2.691 20 30 CFEDMN CC(C)(C#N)CC[N@H+]1CCc2ccccc2[C@H]1C(=O)[O-] ZINC000087592728 605191131 /nfs/dbraw/zinc/19/11/31/605191131.db2.gz MOOGYAJUBKZSIA-AWEZNQCLSA-N 0 1 272.348 2.610 20 30 CFEDMN C#CCCC[N@@H+]1C[C@H](C2CCCCC2)C[C@@H]1C(=O)[O-] ZINC000833362557 605204905 /nfs/dbraw/zinc/20/49/05/605204905.db2.gz YLMPQNRFNAAMNK-HUUCEWRRSA-N 0 1 263.381 2.755 20 30 CFEDMN C#CC[N@@H+](CC)[C@@H](C(=O)[O-])c1cccc(Br)c1 ZINC000833364063 605204998 /nfs/dbraw/zinc/20/49/98/605204998.db2.gz DJWBSAXTYBRDRA-GFCCVEGCSA-N 0 1 296.164 2.530 20 30 CFEDMN C#CC[N@H+](CC)[C@@H](C(=O)[O-])c1cccc(Br)c1 ZINC000833364063 605205001 /nfs/dbraw/zinc/20/50/01/605205001.db2.gz DJWBSAXTYBRDRA-GFCCVEGCSA-N 0 1 296.164 2.530 20 30 CFEDMN C[N@@H+](CCCNC(=O)[O-])Cc1ccccc1C(C)(C)C#N ZINC000828301650 605279395 /nfs/dbraw/zinc/27/93/95/605279395.db2.gz CCBDEBSZLGIAJR-UHFFFAOYSA-N 0 1 289.379 2.577 20 30 CFEDMN C#CCN(C)[C@@H]1CCN(C(=O)Cc2cccc(C(C)C)c2)C1 ZINC000971863885 613081707 /nfs/dbraw/zinc/08/17/07/613081707.db2.gz OYLDYTCUKMDUEI-GOSISDBHSA-N 0 1 298.430 2.518 20 30 CFEDMN C#CCN1CCCCC[C@@H]1CNC(=O)[C@H]1CCCC1(C)C ZINC000968990911 613146032 /nfs/dbraw/zinc/14/60/32/613146032.db2.gz QYPWNOMWRKBADS-HZPDHXFCSA-N 0 1 290.451 2.807 20 30 CFEDMN C#CCN1CCCCC[C@H]1CNC(=O)c1c(C)cccc1C ZINC000969039967 613148776 /nfs/dbraw/zinc/14/87/76/613148776.db2.gz VTGQAMYHHDJQBT-KRWDZBQOSA-N 0 1 298.430 2.911 20 30 CFEDMN C#CCN1CCCCC[C@H]1CNC(=O)c1ccc(C)s1 ZINC000968729677 613149824 /nfs/dbraw/zinc/14/98/24/613149824.db2.gz MSVTYGCQDFAQAY-AWEZNQCLSA-N 0 1 290.432 2.664 20 30 CFEDMN C#Cc1ccc(C(=O)N(CC)C2CN(CCC(C)C)C2)cc1 ZINC000951114355 613167031 /nfs/dbraw/zinc/16/70/31/613167031.db2.gz SUGJWXYSIMRBOX-UHFFFAOYSA-N 0 1 298.430 2.860 20 30 CFEDMN C#CCN1CC[C@@H](NC(=O)C2CCC(=C)CC2)C(C)(C)C1 ZINC000941000142 613223653 /nfs/dbraw/zinc/22/36/53/613223653.db2.gz OKDJUVIQOMZQPX-MRXNPFEDSA-N 0 1 288.435 2.583 20 30 CFEDMN C#CCN1CC[C@@H](NC(=O)c2occc2C(C)C)C[C@H]1C ZINC000947653578 613244898 /nfs/dbraw/zinc/24/48/98/613244898.db2.gz POFGXSAUSRQYCU-ZIAGYGMSSA-N 0 1 288.391 2.619 20 30 CFEDMN C=C(C)CCN1CC(N(CC)C(=O)C2CCCC2)C1 ZINC000949557453 613245053 /nfs/dbraw/zinc/24/50/53/613245053.db2.gz MVCLREPGTLLCLV-UHFFFAOYSA-N 0 1 264.413 2.676 20 30 CFEDMN C=C(C)CCN1CC(N(CC)C(=O)[C@H]2C[C@H]3C[C@H]3C2)C1 ZINC000951211889 613245748 /nfs/dbraw/zinc/24/57/48/613245748.db2.gz DWYZSZKTYMRQNP-FICVDOATSA-N 0 1 276.424 2.531 20 30 CFEDMN C=C(C)CCN1CC(N(CC)C(=O)[C@@H]2C[C@@H]2C(C)C)C1 ZINC000957059953 613245762 /nfs/dbraw/zinc/24/57/62/613245762.db2.gz WVCSVLXSFUAUSB-HZPDHXFCSA-N 0 1 278.440 2.777 20 30 CFEDMN C=C(C)CCN1CC(N(CC)C(=O)[C@H]2CCC2(F)F)C1 ZINC000950595583 613245823 /nfs/dbraw/zinc/24/58/23/613245823.db2.gz MSACNKUQHVHNIG-CYBMUJFWSA-N 0 1 286.366 2.531 20 30 CFEDMN C=C(C)CCN1CC(N(CC)C(=O)c2cc(C)[nH]c2C)C1 ZINC000952373009 613246371 /nfs/dbraw/zinc/24/63/71/613246371.db2.gz WNTXFMYFLALWLO-UHFFFAOYSA-N 0 1 289.423 2.744 20 30 CFEDMN C#CCN1CC[C@H](NC(=O)C(C)=C2CCCC2)C(C)(C)C1 ZINC000940665870 613256168 /nfs/dbraw/zinc/25/61/68/613256168.db2.gz ZSIZFXBSLHPJNF-INIZCTEOSA-N 0 1 288.435 2.727 20 30 CFEDMN C=C(C)CCN1CCN(C(=O)[C@@H]2C[C@H]2C2CCCC2)CC1 ZINC000956970615 613259673 /nfs/dbraw/zinc/25/96/73/613259673.db2.gz JAXCBHKQKZDMPV-DLBZAZTESA-N 0 1 290.451 2.923 20 30 CFEDMN C=C(C)CCN1CCN(C(=O)[C@H](C)c2cccs2)CC1 ZINC000950462125 613259820 /nfs/dbraw/zinc/25/98/20/613259820.db2.gz OVYACHVIYWLXJT-CQSZACIVSA-N 0 1 292.448 2.962 20 30 CFEDMN C=C(C)CCN1CCN(C(=O)c2ccoc2C2CC2)CC1 ZINC000949879747 613261543 /nfs/dbraw/zinc/26/15/43/613261543.db2.gz XLPINJYOYVWEFP-UHFFFAOYSA-N 0 1 288.391 2.881 20 30 CFEDMN C#CCN1C[C@@H](NC(=O)[C@@H]2CCCC(C)(C)C2)C(C)(C)C1 ZINC000977655011 613281825 /nfs/dbraw/zinc/28/18/25/613281825.db2.gz USUKUGJCTPYDNJ-HUUCEWRRSA-N 0 1 290.451 2.663 20 30 CFEDMN C#CCN1C[C@H](NC(=O)[C@H](C)c2cccc(C)c2)C(C)(C)C1 ZINC000975083624 613298628 /nfs/dbraw/zinc/29/86/28/613298628.db2.gz KVGOVLXPMNSPRZ-WBVHZDCISA-N 0 1 298.430 2.558 20 30 CFEDMN C=C(C)CN1CCCCC[C@H]1CNC(=O)c1nccs1 ZINC000969087421 613307207 /nfs/dbraw/zinc/30/72/07/613307207.db2.gz ADAWZRGCHUIPIM-ZDUSSCGKSA-N 0 1 293.436 2.694 20 30 CFEDMN C=C(C)CN1CCCN(C(=O)C2(C(F)F)CCC2)CC1 ZINC000981813891 613307893 /nfs/dbraw/zinc/30/78/93/613307893.db2.gz STYHQIKGKQIHEH-UHFFFAOYSA-N 0 1 286.366 2.532 20 30 CFEDMN C=C(C)CN1CCCN(C(=O)[C@@H]2C[C@H]2CCC)CC1 ZINC000981911043 613310010 /nfs/dbraw/zinc/31/00/10/613310010.db2.gz BYAONCNLBUPJDO-HUUCEWRRSA-N 0 1 264.413 2.533 20 30 CFEDMN C=C(C)CN1CCCN(C(=O)[C@H](C)C2CCC2)CC1 ZINC000981424826 613310138 /nfs/dbraw/zinc/31/01/38/613310138.db2.gz DEAGXNABUPXEEM-CQSZACIVSA-N 0 1 264.413 2.533 20 30 CFEDMN C=C(C)CN1CCCN(C(=O)[C@H](C)Cc2ccco2)CC1 ZINC000982179195 613310299 /nfs/dbraw/zinc/31/02/99/613310299.db2.gz PAGDINCNJCGHPK-OAHLLOKOSA-N 0 1 290.407 2.569 20 30 CFEDMN C=C(C)CN1CCCN(C(=O)[C@]2(C)CCC[C@@H]2C)CC1 ZINC000981896164 613311117 /nfs/dbraw/zinc/31/11/17/613311117.db2.gz GTUZRFYOEYTRGA-DOTOQJQBSA-N 0 1 278.440 2.923 20 30 CFEDMN C=C(C)CN1CCCN(C(=O)c2ccn(CC)c2C)CC1 ZINC000981803804 613312764 /nfs/dbraw/zinc/31/27/64/613312764.db2.gz GHXQWINOOOZBOJ-UHFFFAOYSA-N 0 1 289.423 2.540 20 30 CFEDMN C=C(C)CN1CC[C@@H](C)[C@@H](NC(=O)c2ccc(CC)o2)C1 ZINC000966971991 613324262 /nfs/dbraw/zinc/32/42/62/613324262.db2.gz BELVXOVGSNCDLC-HIFRSBDPSA-N 0 1 290.407 2.858 20 30 CFEDMN C=C(C)CN1CC[C@H](C)[C@@H](NC(=O)c2ccc(CC)o2)C1 ZINC000966971996 613332792 /nfs/dbraw/zinc/33/27/92/613332792.db2.gz BELVXOVGSNCDLC-ZFWWWQNUSA-N 0 1 290.407 2.858 20 30 CFEDMN C=C(C)CN1CC[C@H](C)[C@H](NC(=O)c2cccs2)C1 ZINC000964802160 613334193 /nfs/dbraw/zinc/33/41/93/613334193.db2.gz IYRDMMVSJZDBOZ-QWHCGFSZSA-N 0 1 278.421 2.764 20 30 CFEDMN C=C(C)CN1CC[C@H](C)[C@H](NC(=O)c2sccc2F)C1 ZINC000965996361 613334449 /nfs/dbraw/zinc/33/44/49/613334449.db2.gz QACINAHEFOIGQH-WCQYABFASA-N 0 1 296.411 2.904 20 30 CFEDMN C=C(C)CN1C[C@H](NC(=O)c2occc2Cl)C(C)(C)C1 ZINC000975000910 613342470 /nfs/dbraw/zinc/34/24/70/613342470.db2.gz KMVJIFNVZDVBTC-LBPRGKRZSA-N 0 1 296.798 2.949 20 30 CFEDMN C=C(Cl)CN1CCC[C@@H](N(C)C(=O)C(C)C)CC1 ZINC000948200201 613374136 /nfs/dbraw/zinc/37/41/36/613374136.db2.gz CHHMFIUPVURDPI-CYBMUJFWSA-N 0 1 272.820 2.708 20 30 CFEDMN C=C(Cl)CN1CCC[C@H](N(C)C(=O)C(C)(C)F)CC1 ZINC000948141470 613374467 /nfs/dbraw/zinc/37/44/67/613374467.db2.gz ANTGPFDGQWAUKV-LBPRGKRZSA-N 0 1 290.810 2.800 20 30 CFEDMN C=C(Cl)CN1CC[C@H]([C@@H]2CCCN(C(=O)C3CC3)C2)C1 ZINC000961083891 613379516 /nfs/dbraw/zinc/37/95/16/613379516.db2.gz WAXNNWRPPZHYKK-CABCVRRESA-N 0 1 296.842 2.709 20 30 CFEDMN C=C(Cl)CN[C@@H]1CCN(C(=O)C(C)(C)C(C)(F)F)C1 ZINC000970586931 613384297 /nfs/dbraw/zinc/38/42/97/613384297.db2.gz ZQHXSSSOCBCKNH-SNVBAGLBSA-N 0 1 294.773 2.611 20 30 CFEDMN C=C(Cl)CN[C@@H]1CCN(C(=O)CC(C)(C)C2CC2)C1 ZINC000968589694 613384534 /nfs/dbraw/zinc/38/45/34/613384534.db2.gz FDCWGCRMSLJGME-CYBMUJFWSA-N 0 1 284.831 2.756 20 30 CFEDMN C=C(Cl)CN[C@@H]1CCN(C(=O)CCC2CCCC2)C1 ZINC000966561517 613384611 /nfs/dbraw/zinc/38/46/11/613384611.db2.gz FPWLNSOSVBOKJC-CQSZACIVSA-N 0 1 284.831 2.900 20 30 CFEDMN C=C(Cl)CN[C@@H]1CCN(C(=O)Cc2ccc(C)s2)C1 ZINC000970786053 613384892 /nfs/dbraw/zinc/38/48/92/613384892.db2.gz LWOOZLLCSYHNOM-GFCCVEGCSA-N 0 1 298.839 2.542 20 30 CFEDMN C=C(Cl)CN[C@@H]1CN(C(=O)C2(C)CC=CC2)C[C@H]1C ZINC000939067442 613386250 /nfs/dbraw/zinc/38/62/50/613386250.db2.gz FZXGHBKVWWPQRX-DGCLKSJQSA-N 0 1 282.815 2.532 20 30 CFEDMN C=C(Cl)CN[C@H]1CN(C(=O)C(C2CC2)C2CC2)C[C@@H]1C ZINC000939497762 613386867 /nfs/dbraw/zinc/38/68/67/613386867.db2.gz AWTDDJVENHSHKX-HZMBPMFUSA-N 0 1 296.842 2.612 20 30 CFEDMN C=C[C@@](C)(CC)C(=O)N1CCN(CCC(=C)C)CC1 ZINC000950051722 613474032 /nfs/dbraw/zinc/47/40/32/613474032.db2.gz SDEHMBUCPHWVDX-INIZCTEOSA-N 0 1 264.413 2.699 20 30 CFEDMN C=C[C@H](C(=O)N1CCN(CCC)CC1)c1ccccc1 ZINC000957746738 613481582 /nfs/dbraw/zinc/48/15/82/613481582.db2.gz FSASEMOIZNVAJN-INIZCTEOSA-N 0 1 272.392 2.510 20 30 CFEDMN C=C[C@](C)(CC)C(=O)N1CC2(C1)CCCN(CC#CC)C2 ZINC000981987625 613501188 /nfs/dbraw/zinc/50/11/88/613501188.db2.gz GCTINGMKEIAAMV-QGZVFWFLSA-N 0 1 288.435 2.536 20 30 CFEDMN C=CCCN1CCN(C(=O)[C@H](C)c2cccs2)CC1 ZINC000950451932 613507615 /nfs/dbraw/zinc/50/76/15/613507615.db2.gz JQBOTERMNPWYPK-CYBMUJFWSA-N 0 1 278.421 2.572 20 30 CFEDMN C=CCCN1CCN(C(=O)c2c(C)cc(F)cc2C)CC1 ZINC000949609719 613509061 /nfs/dbraw/zinc/50/90/61/613509061.db2.gz JFQVUSITARZJSO-UHFFFAOYSA-N 0 1 290.382 2.776 20 30 CFEDMN C=CCCN1CCN(C(=O)c2ccc3cc(C)cn3c2)CC1 ZINC000948671433 613510720 /nfs/dbraw/zinc/51/07/20/613510720.db2.gz LFTDMMCTBTWMHM-UHFFFAOYSA-N 0 1 297.402 2.582 20 30 CFEDMN CC#CCN1CC([C@@H](C)NC(=O)c2ccccc2C(C)C)C1 ZINC000969792070 613533926 /nfs/dbraw/zinc/53/39/26/613533926.db2.gz GHWPQZKLXDKRCN-OAHLLOKOSA-N 0 1 298.430 2.883 20 30 CFEDMN CC#CCN1CC([C@H](C)NC(=O)c2cccc(C(C)C)c2)C1 ZINC000970690989 613538328 /nfs/dbraw/zinc/53/83/28/613538328.db2.gz XHWSDJYIZKUBIR-HNNXBMFYSA-N 0 1 298.430 2.883 20 30 CFEDMN CC#CCN1CCCCC[C@@H]1CNC(=O)c1ccc(C)o1 ZINC000968736054 613544637 /nfs/dbraw/zinc/54/46/37/613544637.db2.gz ZFQGLMPLLKZOFQ-OAHLLOKOSA-N 0 1 288.391 2.586 20 30 CFEDMN CC#CCN1CCCCC[C@@H]1CNC(=O)[C@]12C[C@H]1CCC2 ZINC000968959606 613545354 /nfs/dbraw/zinc/54/53/54/613545354.db2.gz DXVTYFRLBXBYAN-JFIYKMOQSA-N 0 1 288.435 2.561 20 30 CFEDMN CC#CCN1CC[C@@H](C)[C@H](NC(=O)C2=CCCCCC2)C1 ZINC000965945857 613574455 /nfs/dbraw/zinc/57/44/55/613574455.db2.gz CIWVMLSJMYPWBH-NVXWUHKLSA-N 0 1 288.435 2.727 20 30 CFEDMN CC#CCN1CC[C@@H](NC(=O)c2cccs2)C(C)(C)C1 ZINC000940549344 613584958 /nfs/dbraw/zinc/58/49/58/613584958.db2.gz AWYFBTDBGFUPFQ-CQSZACIVSA-N 0 1 290.432 2.602 20 30 CFEDMN CC#CCN1C[C@@H](NC(=O)C[C@H]2CC=CCC2)C(C)(C)C1 ZINC000974914163 613608772 /nfs/dbraw/zinc/60/87/72/613608772.db2.gz GGIYFEXOBUDCMX-JKSUJKDBSA-N 0 1 288.435 2.583 20 30 CFEDMN CC#CCN1C[C@@H](NC(=O)[C@@H]2CCCC2(C)C)C(C)(C)C1 ZINC000974939930 613609588 /nfs/dbraw/zinc/60/95/88/613609588.db2.gz YKHYTKDGSDGFCC-LSDHHAIUSA-N 0 1 290.451 2.663 20 30 CFEDMN CC#CCN1C[C@H](NC(=O)C[C@@H]2CC=CCC2)C(C)(C)C1 ZINC000974914159 613620296 /nfs/dbraw/zinc/62/02/96/613620296.db2.gz GGIYFEXOBUDCMX-CVEARBPZSA-N 0 1 288.435 2.583 20 30 CFEDMN CC#CCN1C[C@H](NC(=O)[C@@H]2CCCC2(C)C)C(C)(C)C1 ZINC000974939922 613621506 /nfs/dbraw/zinc/62/15/06/613621506.db2.gz YKHYTKDGSDGFCC-GJZGRUSLSA-N 0 1 290.451 2.663 20 30 CFEDMN CC#CCN1C[C@H](NC(=O)[C@H](C)C2CCCC2)C(C)(C)C1 ZINC000977445702 613622278 /nfs/dbraw/zinc/62/22/78/613622278.db2.gz BFFASHKTZUJKGW-ZBFHGGJFSA-N 0 1 290.451 2.663 20 30 CFEDMN C=CCN1CC([C@@H](C)NC(=O)[C@@H]2C[C@]2(C)c2ccccc2)C1 ZINC000970181826 613662963 /nfs/dbraw/zinc/66/29/63/613662963.db2.gz IFSPGKXVMQOJGZ-DKSSEZFCSA-N 0 1 298.430 2.587 20 30 CFEDMN C=CCN1CC([C@@H](C)NC(=O)c2cc(C)ccc2C)C1 ZINC000970799151 613664300 /nfs/dbraw/zinc/66/43/00/613664300.db2.gz ASTICSALAONHFA-CQSZACIVSA-N 0 1 272.392 2.540 20 30 CFEDMN C=CCN1CC([C@@H](C)NC(=O)c2cc(Cl)ccc2C)C1 ZINC000970609860 613664787 /nfs/dbraw/zinc/66/47/87/613664787.db2.gz HQFDAWFDOYYGIO-GFCCVEGCSA-N 0 1 292.810 2.885 20 30 CFEDMN C=CCN1CC([C@@H](C)NC(=O)c2cccc(Cl)c2F)C1 ZINC000970364014 613665748 /nfs/dbraw/zinc/66/57/48/613665748.db2.gz RCOIDEXCXKJYPB-SNVBAGLBSA-N 0 1 296.773 2.715 20 30 CFEDMN C=CCN1CC([C@@H](C)NC(=O)c2ccn(C(C)C)c2C)C1 ZINC000970315278 613666360 /nfs/dbraw/zinc/66/63/60/613666360.db2.gz WSBAMDFTYDABRF-CYBMUJFWSA-N 0 1 289.423 2.614 20 30 CFEDMN C=CCN1CC([C@H](C)NC(=O)[C@H]2[C@@H]3CCCCCC[C@@H]32)C1 ZINC000970476364 613669175 /nfs/dbraw/zinc/66/91/75/613669175.db2.gz MNACELQXIMRODU-QMCVQRASSA-N 0 1 290.451 2.825 20 30 CFEDMN C=CCN1CC([C@H](C)NC(=O)c2ccc(CC)s2)C1 ZINC000970087628 613671361 /nfs/dbraw/zinc/67/13/61/613671361.db2.gz COSNGTOVEPRQBU-NSHDSACASA-N 0 1 278.421 2.547 20 30 CFEDMN C=CCN1CC([C@H](C)NC(=O)c2ccc(CCC)s2)C1 ZINC000969769762 613671438 /nfs/dbraw/zinc/67/14/38/613671438.db2.gz RPOSYJDRNFJCPW-LBPRGKRZSA-N 0 1 292.448 2.937 20 30 CFEDMN C=CCN1CC([C@H](C)NC(=O)c2ccc(F)c(Cl)c2)C1 ZINC000970350069 613671456 /nfs/dbraw/zinc/67/14/56/613671456.db2.gz AWJPACSQEFURFX-JTQLQIEISA-N 0 1 296.773 2.715 20 30 CFEDMN C=CCN1CC([C@H](C)NC(=O)c2cccc(Cl)c2)C1 ZINC000970784186 613672261 /nfs/dbraw/zinc/67/22/61/613672261.db2.gz PEACNERDXAAEOZ-NSHDSACASA-N 0 1 278.783 2.576 20 30 CFEDMN C=CCN1CC([C@H](C)NC(=O)c2oc(C(F)F)cc2C)C1 ZINC000969876187 613674437 /nfs/dbraw/zinc/67/44/37/613674437.db2.gz GZJWDISNBIBQDS-JTQLQIEISA-N 0 1 298.333 2.762 20 30 CFEDMN C=CCN1CCCN(C(=O)C23CCC(CC2)C3(C)C)CC1 ZINC000982117980 613688394 /nfs/dbraw/zinc/68/83/94/613688394.db2.gz SGMROEKSHBQZSE-UHFFFAOYSA-N 0 1 290.451 2.923 20 30 CFEDMN C=CCN1CCCN(C(=O)CC2=CCCCC2)CC1 ZINC000980845533 613688572 /nfs/dbraw/zinc/68/85/72/613688572.db2.gz RFFIFWRGGQEDNH-UHFFFAOYSA-N 0 1 262.397 2.597 20 30 CFEDMN C=CCN1CCCN(C(=O)[C@H]2[C@@H](C=C(C)C)C2(C)C)CC1 ZINC000981587581 613695454 /nfs/dbraw/zinc/69/54/54/613695454.db2.gz LGHLDWHATGDKBE-HZPDHXFCSA-N 0 1 290.451 2.945 20 30 CFEDMN C=CCN1CCCN(C(=O)c2ccccc2CCC)CC1 ZINC000981593346 613697815 /nfs/dbraw/zinc/69/78/15/613697815.db2.gz XUXDZBQIIAMMMS-UHFFFAOYSA-N 0 1 286.419 2.973 20 30 CFEDMN C=CCN1CCCN(C(=O)c2ccnc3ccccc32)CC1 ZINC000981573109 613698314 /nfs/dbraw/zinc/69/83/14/613698314.db2.gz AGHIJCSEDZOEOC-UHFFFAOYSA-N 0 1 295.386 2.569 20 30 CFEDMN C=CCN1CC[C@@H](C)[C@@H](NC(=O)C2CCCCCC2)C1 ZINC000965562732 613728131 /nfs/dbraw/zinc/72/81/31/613728131.db2.gz UVGUCYDLGXUVKY-ZBFHGGJFSA-N 0 1 278.440 2.969 20 30 CFEDMN C=CCN1CC[C@@H](C)[C@@H](NC(=O)c2ccc(Cl)cc2)C1 ZINC000968571244 613729637 /nfs/dbraw/zinc/72/96/37/613729637.db2.gz XIOZLXNBAKMYGA-DOMZBBRYSA-N 0 1 292.810 2.966 20 30 CFEDMN C=CCN1CC[C@@H](C)[C@@H](NC(=O)c2ccc(F)cc2C)C1 ZINC000968569071 613730101 /nfs/dbraw/zinc/73/01/01/613730101.db2.gz HDVWNXQBANQDAI-WBMJQRKESA-N 0 1 290.382 2.760 20 30 CFEDMN C=CCN1CC[C@@H](C)[C@@H](NC(=O)c2ccn3ccccc23)C1 ZINC000967314667 613730878 /nfs/dbraw/zinc/73/08/78/613730878.db2.gz PAPBOTXZIFZRJS-ZBFHGGJFSA-N 0 1 297.402 2.566 20 30 CFEDMN C=CCN1CC[C@@H](C)[C@H](NC(=O)Cc2ccsc2C)C1 ZINC000968390141 613732619 /nfs/dbraw/zinc/73/26/19/613732619.db2.gz GFVHZGWDVKLWKG-IUODEOHRSA-N 0 1 292.448 2.612 20 30 CFEDMN C=CCN1CC[C@@H](C)[C@H](NC(=O)c2cc(F)cc(F)c2)C1 ZINC000968624358 613734142 /nfs/dbraw/zinc/73/41/42/613734142.db2.gz RQLPLICSXNPVFF-IAQYHMDHSA-N 0 1 294.345 2.591 20 30 CFEDMN C=CCN1CC[C@@H](C)[C@H](NC(=O)c2ccc(C=C)cc2)C1 ZINC000968340732 613734528 /nfs/dbraw/zinc/73/45/28/613734528.db2.gz UNIIHQXKYHYXGR-RHSMWYFYSA-N 0 1 284.403 2.956 20 30 CFEDMN C=CCN1CC[C@@H](C)[C@H](NC(=O)c2cccc(C)c2C)C1 ZINC000968606805 613734911 /nfs/dbraw/zinc/73/49/11/613734911.db2.gz JTPFPNGMYZLVES-RHSMWYFYSA-N 0 1 286.419 2.930 20 30 CFEDMN C=CCN1CC[C@@H](C)[C@H](NC(=O)c2ccccc2C)C1 ZINC000964772446 613735415 /nfs/dbraw/zinc/73/54/15/613735415.db2.gz MTQVUKHALIZNAC-GDBMZVCRSA-N 0 1 272.392 2.621 20 30 CFEDMN C=CCN1CC[C@H](C)[C@@H](NC(=O)C2(C3CC3)CCC2)C1 ZINC000967467461 613767154 /nfs/dbraw/zinc/76/71/54/613767154.db2.gz OKLCRNXSAVAGCG-ZFWWWQNUSA-N 0 1 276.424 2.579 20 30 CFEDMN C=CCN1CC[C@H](C)[C@@H](NC(=O)c2sc(C)cc2C)C1 ZINC000966418428 613770925 /nfs/dbraw/zinc/77/09/25/613770925.db2.gz FGXRNWZLPSPESE-FZMZJTMJSA-N 0 1 292.448 2.991 20 30 CFEDMN C=CCN1CC[C@H](C)[C@H](NC(=O)c2ccc(C(F)F)o2)C1 ZINC000968599084 613773315 /nfs/dbraw/zinc/77/33/15/613773315.db2.gz QQBXAJFZSFQPGO-WDEREUQCSA-N 0 1 298.333 2.843 20 30 CFEDMN C=CCN1CC[C@H](C)[C@H](NC(=O)c2cc[nH]c2C(C)C)C1 ZINC000967963585 613773365 /nfs/dbraw/zinc/77/33/65/613773365.db2.gz DRSIISHAHDXGOE-DZGCQCFKSA-N 0 1 289.423 2.764 20 30 CFEDMN C=CCN1CC[C@H](C)[C@H](NC(=O)c2ccc(CF)cc2)C1 ZINC000968687583 613773861 /nfs/dbraw/zinc/77/38/61/613773861.db2.gz DBUIZLARWPEDAZ-XJKSGUPXSA-N 0 1 290.382 2.782 20 30 CFEDMN C=CCN1CC[C@H](C)[C@H](NC(=O)c2cccc(C)c2)C1 ZINC000964841280 613773901 /nfs/dbraw/zinc/77/39/01/613773901.db2.gz YLGRDNALDOTREA-GOEBONIOSA-N 0 1 272.392 2.621 20 30 CFEDMN C=CCN1CC[C@H](C)[C@H](NC(=O)c2cccc(Cl)c2)C1 ZINC000968580694 613773928 /nfs/dbraw/zinc/77/39/28/613773928.db2.gz YTLQSJIRDIWSOE-SWLSCSKDSA-N 0 1 292.810 2.966 20 30 CFEDMN C=CCN1CC[C@H](C)[C@H](NC(=O)c2ccc(C3CC3)cn2)C1 ZINC000968598896 613774195 /nfs/dbraw/zinc/77/41/95/613774195.db2.gz NGCYYNGOTKIYGR-SUMWQHHRSA-N 0 1 299.418 2.585 20 30 CFEDMN C=CCN1C[C@@H](NC(=O)C2CCCCCC2)C(C)(C)C1 ZINC000972857811 613806386 /nfs/dbraw/zinc/80/63/86/613806386.db2.gz OKUVFZBPVSYBPI-OAHLLOKOSA-N 0 1 278.440 2.969 20 30 CFEDMN C=CCN1C[C@@H](NC(=O)c2cc(C)oc2C)C(C)(C)C1 ZINC000972799292 613809988 /nfs/dbraw/zinc/80/99/88/613809988.db2.gz XCRMQTWNQPINAD-CQSZACIVSA-N 0 1 276.380 2.523 20 30 CFEDMN C=CCN1C[C@@H](NC(=O)c2cccc(F)c2C)C(C)(C)C1 ZINC000974628654 613810782 /nfs/dbraw/zinc/81/07/82/613810782.db2.gz HPHYREDSVNWMQS-OAHLLOKOSA-N 0 1 290.382 2.760 20 30 CFEDMN C=CCN1C[C@@H](NC(=O)c2ccccc2Cl)C(C)(C)C1 ZINC000977525856 613811035 /nfs/dbraw/zinc/81/10/35/613811035.db2.gz QKNGWUBSKWRAHC-CQSZACIVSA-N 0 1 292.810 2.966 20 30 CFEDMN C=CCN1C[C@@H](NC(=O)c2oc(C)cc2C)C(C)(C)C1 ZINC000973012730 613812830 /nfs/dbraw/zinc/81/28/30/613812830.db2.gz PAFAXTZPZWEZEE-CYBMUJFWSA-N 0 1 276.380 2.523 20 30 CFEDMN C=CCN1C[C@H](NC(=O)[C@@H]2CCCC23CC3)C(C)(C)C1 ZINC000974739563 613827218 /nfs/dbraw/zinc/82/72/18/613827218.db2.gz KFWPNINUVWAXSC-KBPBESRZSA-N 0 1 276.424 2.579 20 30 CFEDMN C=CCN1C[C@H](NC(=O)[C@@H](C)c2ccc(C)o2)C(C)(C)C1 ZINC000977274532 613827491 /nfs/dbraw/zinc/82/74/91/613827491.db2.gz SSUROYCAPVQITM-ZFWWWQNUSA-N 0 1 290.407 2.704 20 30 CFEDMN C=CCN1C[C@H](NC(=O)[C@@H]2CCC(C)(C)C2)C(C)(C)C1 ZINC000975033336 613827604 /nfs/dbraw/zinc/82/76/04/613827604.db2.gz DJAWJOSAWHHBRC-KGLIPLIRSA-N 0 1 278.440 2.825 20 30 CFEDMN C=CCN1C[C@H](NC(=O)[C@H](C)C2CCCC2)C(C)(C)C1 ZINC000977454409 613828019 /nfs/dbraw/zinc/82/80/19/613828019.db2.gz XOWQRJDBJUWMMA-HIFRSBDPSA-N 0 1 278.440 2.825 20 30 CFEDMN C=CCN1C[C@H](NC(=O)c2cc(C)c(CC)o2)C(C)(C)C1 ZINC000977457800 613828461 /nfs/dbraw/zinc/82/84/61/613828461.db2.gz ADAAESIUNUAWMB-HNNXBMFYSA-N 0 1 290.407 2.777 20 30 CFEDMN C=CCN1C[C@H](NC(=O)c2cc3ccccn3c2)C(C)(C)C1 ZINC000975112150 613828844 /nfs/dbraw/zinc/82/88/44/613828844.db2.gz QRHVEGMVMUVPPJ-INIZCTEOSA-N 0 1 297.402 2.566 20 30 CFEDMN CC(C)C(=O)N[C@@H]1CN(Cc2cccc(C#N)c2)CC1(C)C ZINC000972816846 613936711 /nfs/dbraw/zinc/93/67/11/613936711.db2.gz DHFHNMCNLFFMIH-MRXNPFEDSA-N 0 1 299.418 2.541 20 30 CFEDMN CCCC(=O)N1CCCC[C@H]1CNCc1ccccc1C#N ZINC000959850860 614746297 /nfs/dbraw/zinc/74/62/97/614746297.db2.gz SGZLPBCPHHWRAS-KRWDZBQOSA-N 0 1 299.418 2.829 20 30 CFEDMN C=C(Br)CNCc1sc(C)nc1C ZINC000076868873 617988893 /nfs/dbraw/zinc/98/88/93/617988893.db2.gz GLBZXKVFZJHZDQ-UHFFFAOYSA-N 0 1 261.188 2.758 20 30 CFEDMN N#Cc1cc(F)ccc1CN[C@H]1CCOC12CCCC2 ZINC000934396605 618029857 /nfs/dbraw/zinc/02/98/57/618029857.db2.gz QHKHMMGRXHNTPX-HNNXBMFYSA-N 0 1 274.339 2.889 20 30 CFEDMN C=CC[C@@H]1CCN1[C@H]1CCCN(c2ccc(C#N)cc2)C1=O ZINC000934462924 618041721 /nfs/dbraw/zinc/04/17/21/618041721.db2.gz VISJHBMXMPGHIM-WBVHZDCISA-N 0 1 295.386 2.704 20 30 CFEDMN C[C@@H](CCC(=O)C(C#N)C(=O)NC1CC1)c1ccccc1 ZINC000160173757 617606299 /nfs/dbraw/zinc/60/62/99/617606299.db2.gz UUZGSJAYFNFCJH-SWLSCSKDSA-N 0 1 284.359 2.558 20 30 CFEDMN C=CC(C)(C)NC(=O)NC[C@@H](c1cccs1)N(C)C ZINC000891509677 617642398 /nfs/dbraw/zinc/64/23/98/617642398.db2.gz UHVLEEPRPRTMCK-NSHDSACASA-N 0 1 281.425 2.615 20 30 CFEDMN C=CC[C@@H]1CCN1C(=O)c1c(C)n[nH]c1C(F)(F)F ZINC000890558309 617650456 /nfs/dbraw/zinc/65/04/56/617650456.db2.gz ARYKAGSEEGBBFV-MRVPVSSYSA-N 0 1 273.258 2.528 20 30 CFEDMN Cn1cc[nH+]c1[N-]N=Cc1ccc(C#N)cc1C(F)(F)F ZINC000811649336 617659996 /nfs/dbraw/zinc/65/99/96/617659996.db2.gz JAYPFBHMASMREH-UHFFFAOYSA-N 0 1 293.252 2.757 20 30 CFEDMN Cc1noc([C@@H]2CCCN(Cc3csc(C#N)c3)C2)n1 ZINC000891701271 617717872 /nfs/dbraw/zinc/71/78/72/617717872.db2.gz YJVHBRAVZMQMEB-GFCCVEGCSA-N 0 1 288.376 2.691 20 30 CFEDMN N#Cc1cc(CN2CCC(c3cn[nH]c3)CC2)cs1 ZINC000891780808 617749848 /nfs/dbraw/zinc/74/98/48/617749848.db2.gz BVBLKGKEESYTAU-UHFFFAOYSA-N 0 1 272.377 2.722 20 30 CFEDMN COC[C@@H]1CCCN(Cc2cccc(C#N)c2F)C1 ZINC000219522718 617750077 /nfs/dbraw/zinc/75/00/77/617750077.db2.gz ADQWIHYKPMNZFD-GFCCVEGCSA-N 0 1 262.328 2.556 20 30 CFEDMN CC(=NOCCOC(C)C)c1ccccc1N(C)C ZINC000812238705 617751440 /nfs/dbraw/zinc/75/14/40/617751440.db2.gz DGYSUOYVMFDNCR-UHFFFAOYSA-N 0 1 264.369 2.918 20 30 CFEDMN C=CC1(CC(=O)N[C@H](C)c2nnc[nH]2)CCCCC1 ZINC000933855547 617794868 /nfs/dbraw/zinc/79/48/68/617794868.db2.gz LUIIVODQCUQXSF-LLVKDONJSA-N 0 1 262.357 2.509 20 30 CFEDMN N#Cc1cc(CN2CCC[C@@H](n3ccnc3)C2)cs1 ZINC000891905371 617817239 /nfs/dbraw/zinc/81/72/39/617817239.db2.gz PXCSMKJJKAMBKN-CYBMUJFWSA-N 0 1 272.377 2.653 20 30 CFEDMN COC(=O)C[C@H](NCc1ccc(F)cc1C#N)C(C)(C)C ZINC000934031025 617872817 /nfs/dbraw/zinc/87/28/17/617872817.db2.gz HUYBGJDUKHEHTG-AWEZNQCLSA-N 0 1 292.354 2.765 20 30 CFEDMN Fc1ccc(N=NCc2cnn(C3CCC3)c2)nc1 ZINC000901186216 620759122 /nfs/dbraw/zinc/75/91/22/620759122.db2.gz XBPHXBPBKAMXPW-UHFFFAOYSA-N 0 1 259.288 2.588 20 30 CFEDMN Cc1cc(NN=Cc2ccc(CC(C)C)nc2)ncn1 ZINC000901188398 620759355 /nfs/dbraw/zinc/75/93/55/620759355.db2.gz KBVVMKPBHNXMRK-UHFFFAOYSA-N 0 1 269.352 2.825 20 30 CFEDMN Cc1cc(C#N)nc(NCCN2CCc3sccc3C2)c1 ZINC000891966881 617885878 /nfs/dbraw/zinc/88/58/78/617885878.db2.gz TXEFABYKHGOTRZ-UHFFFAOYSA-N 0 1 298.415 2.793 20 30 CFEDMN C=CCCCN(CC)C(=O)[C@@H]1C[C@@H](C)Cc2c[nH]nc21 ZINC000890808818 617907606 /nfs/dbraw/zinc/90/76/06/617907606.db2.gz DIZYYPYXLWIKAP-GXTWGEPZSA-N 0 1 275.396 2.890 20 30 CFEDMN C#CCCN1CCN(c2cccc(C(F)(F)F)c2)CC1 ZINC000070160784 617974459 /nfs/dbraw/zinc/97/44/59/617974459.db2.gz DWSAADGPEMYALV-UHFFFAOYSA-N 0 1 282.309 2.851 20 30 CFEDMN N#Cc1ccc(O)c(NC(=O)C2=Cc3ccccc3OC2)c1 ZINC000121063234 617980940 /nfs/dbraw/zinc/98/09/40/617980940.db2.gz IDBLESVWBKBFKK-UHFFFAOYSA-N 0 1 292.294 2.678 20 30 CFEDMN Cc1nc(Br)c(C=NNCC2(C)CCCC2)[nH]1 ZINC000901245312 620770733 /nfs/dbraw/zinc/77/07/33/620770733.db2.gz BUQIYABVAFPTAJ-UHFFFAOYSA-N 0 1 299.216 2.984 20 30 CFEDMN CC#CCCN(C)Cc1cc(-c2ccccc2)n[nH]1 ZINC000934415685 618033373 /nfs/dbraw/zinc/03/33/73/618033373.db2.gz RQYYLCIPHFYHQS-UHFFFAOYSA-N 0 1 253.349 2.922 20 30 CFEDMN C=CC[C@H]1CCN1[C@@H](C)C(=O)N[C@H](C)c1ccccc1 ZINC000934458606 618038968 /nfs/dbraw/zinc/03/89/68/618038968.db2.gz ALCAHLCRZIERBP-YCPHGPKFSA-N 0 1 272.392 2.903 20 30 CFEDMN C=CC[C@@H]1CCN1[C@H](C)C(=O)N1CCc2ccccc21 ZINC000934472619 618046718 /nfs/dbraw/zinc/04/67/18/618046718.db2.gz ORNIXLDNWSRXAS-UKRRQHHQSA-N 0 1 270.376 2.615 20 30 CFEDMN C=C(Cl)CNC(=O)c1ccc(CN2CCCCC2)o1 ZINC000933170173 618165542 /nfs/dbraw/zinc/16/55/42/618165542.db2.gz OKISQEMWDGSEQT-UHFFFAOYSA-N 0 1 282.771 2.748 20 30 CFEDMN C#CCNCC(=O)N[C@@H](CC(C)(C)C)c1ccccc1 ZINC000092492275 618181485 /nfs/dbraw/zinc/18/14/85/618181485.db2.gz HKEAQPZYBIBNKX-HNNXBMFYSA-N 0 1 272.392 2.503 20 30 CFEDMN C#CCC1(N[C@H](C)c2nc3ccccc3c(=O)[nH]2)CCC1 ZINC000933300151 618194314 /nfs/dbraw/zinc/19/43/14/618194314.db2.gz RXIIMIIKUPQMTM-GFCCVEGCSA-N 0 1 281.359 2.932 20 30 CFEDMN COc1cccc(CCC(=O)Nc2cc(C#N)ccc2O)c1 ZINC000176813542 618204531 /nfs/dbraw/zinc/20/45/31/618204531.db2.gz OBSYZQYEMNOVSP-UHFFFAOYSA-N 0 1 296.326 2.844 20 30 CFEDMN Cc1cc(C(=O)Nc2cc(C#N)ccc2O)c(C)o1 ZINC000176815028 618204852 /nfs/dbraw/zinc/20/48/52/618204852.db2.gz LIFLTSSPRHVNQC-UHFFFAOYSA-N 0 1 256.261 2.726 20 30 CFEDMN N#Cc1ccc(O)c(NC(=O)c2ccnc(Cl)c2)c1 ZINC000176816600 618205330 /nfs/dbraw/zinc/20/53/30/618205330.db2.gz IUMHDHLTIXCNGN-UHFFFAOYSA-N 0 1 273.679 2.565 20 30 CFEDMN COCc1cccc(C(=O)Nc2cc(C#N)ccc2O)c1 ZINC000176824465 618207284 /nfs/dbraw/zinc/20/72/84/618207284.db2.gz YCUNMGXMSONLAS-UHFFFAOYSA-N 0 1 282.299 2.663 20 30 CFEDMN CCCCCCCNC(=O)c1nnc2ccccc2c1O ZINC000141508803 618272505 /nfs/dbraw/zinc/27/25/05/618272505.db2.gz ALALTCYNZLPBLF-UHFFFAOYSA-N 0 1 287.363 2.623 20 30 CFEDMN C=CCN1CCCC[C@@H]1CNC(=O)C1CCCCC1 ZINC001024305407 618288951 /nfs/dbraw/zinc/28/89/51/618288951.db2.gz PWAYLSGADYKOKC-OAHLLOKOSA-N 0 1 264.413 2.723 20 30 CFEDMN C=CCN1CCCC[C@@H]1CNC(=O)c1ccccc1C ZINC001024313133 618292161 /nfs/dbraw/zinc/29/21/61/618292161.db2.gz YWDRJBFFMFPWJH-OAHLLOKOSA-N 0 1 272.392 2.765 20 30 CFEDMN C[C@@H](C#N)CN(Cc1cc(F)cc(F)c1O)C1CC1 ZINC000894085203 618307142 /nfs/dbraw/zinc/30/71/42/618307142.db2.gz QCEJQYVZPDLUMA-VIFPVBQESA-N 0 1 266.291 2.794 20 30 CFEDMN C#CCN1CCCC[C@@H]1CNC(=O)[C@H]1CCCC2(CC2)C1 ZINC001024437731 618316541 /nfs/dbraw/zinc/31/65/41/618316541.db2.gz ACIVVCDXTFUSDJ-JKSUJKDBSA-N 0 1 288.435 2.561 20 30 CFEDMN C#CC[N@@H+]1CCCC[C@@H]1CNC(=O)[C@@H]1C[C@H]1CC(C)(C)C ZINC001024448158 618316699 /nfs/dbraw/zinc/31/66/99/618316699.db2.gz DPZSSIYVUHCCQI-ARFHVFGLSA-N 0 1 290.451 2.663 20 30 CFEDMN C#CCN1CCCC[C@@H]1CNC(=O)[C@@H]1C[C@H]1CC(C)(C)C ZINC001024448158 618316709 /nfs/dbraw/zinc/31/67/09/618316709.db2.gz DPZSSIYVUHCCQI-ARFHVFGLSA-N 0 1 290.451 2.663 20 30 CFEDMN N#CC(C(=O)C[C@H]1CCC2(CCC2)CO1)c1ccccn1 ZINC000892483125 618360357 /nfs/dbraw/zinc/36/03/57/618360357.db2.gz KSEWYLHPTVZDQV-KGLIPLIRSA-N 0 1 284.359 2.997 20 30 CFEDMN Cn1cnc(CN=Nc2ccccc2OC(F)(F)F)c1 ZINC000794535949 618386781 /nfs/dbraw/zinc/38/67/81/618386781.db2.gz MEIPPEATVMCHBH-UHFFFAOYSA-N 0 1 284.241 2.765 20 30 CFEDMN CC(C)NC(=O)C(C#N)C(=O)CC[C@@H]1CCc2ccccc21 ZINC000892502141 618401274 /nfs/dbraw/zinc/40/12/74/618401274.db2.gz WFONIYWEGKIXGX-GOEBONIOSA-N 0 1 298.386 2.730 20 30 CFEDMN O=C1[C@@H](NCc2ccc(-c3ccccc3)cc2)CCCN1O ZINC000895164668 618414548 /nfs/dbraw/zinc/41/45/48/618414548.db2.gz GDNHMQSACWVWKC-KRWDZBQOSA-N 0 1 296.370 2.823 20 30 CFEDMN C=CCN1CCCC[C@@H]1CNC(=O)[C@@H]1C[C@H]1CC(C)C ZINC001024662464 618435911 /nfs/dbraw/zinc/43/59/11/618435911.db2.gz XYTOSGGXUJPMAV-BZUAXINKSA-N 0 1 278.440 2.825 20 30 CFEDMN C=CC[N@H+]1CCCC[C@@H]1CNC(=O)c1cc2ccccn2c1 ZINC001024689171 618442715 /nfs/dbraw/zinc/44/27/15/618442715.db2.gz AXCHWOCOYMDKGS-QGZVFWFLSA-N 0 1 297.402 2.710 20 30 CFEDMN C=CCN1CCCC[C@@H]1CNC(=O)c1cc2ccccn2c1 ZINC001024689171 618442718 /nfs/dbraw/zinc/44/27/18/618442718.db2.gz AXCHWOCOYMDKGS-QGZVFWFLSA-N 0 1 297.402 2.710 20 30 CFEDMN C=CCN1CCCC[C@@H]1CNC(=O)[C@@H]1C[C@H]1C1CCC1 ZINC001024701880 618448518 /nfs/dbraw/zinc/44/85/18/618448518.db2.gz VQZLPCCYVXGSCD-OWCLPIDISA-N 0 1 276.424 2.579 20 30 CFEDMN N#Cc1cc(C[N@@H+]2CC[C@@]3(CC3(F)F)C2)cs1 ZINC000895189317 618451484 /nfs/dbraw/zinc/45/14/84/618451484.db2.gz QFBSDJJDNASHRJ-LLVKDONJSA-N 0 1 254.305 2.851 20 30 CFEDMN N#Cc1cc(CN2CC[C@@]3(CC3(F)F)C2)cs1 ZINC000895189317 618451488 /nfs/dbraw/zinc/45/14/88/618451488.db2.gz QFBSDJJDNASHRJ-LLVKDONJSA-N 0 1 254.305 2.851 20 30 CFEDMN C=CCN1CCCC[C@H]1CNC(=O)c1oc(CC)cc1C ZINC001024760241 618463166 /nfs/dbraw/zinc/46/31/66/618463166.db2.gz RANMUZWNDKNVPM-AWEZNQCLSA-N 0 1 290.407 2.921 20 30 CFEDMN C=CCN1CCCC[C@H]1CNC(=O)c1cc(C)c(CC)o1 ZINC001024758417 618463780 /nfs/dbraw/zinc/46/37/80/618463780.db2.gz QHSHIVWAEGQPCG-AWEZNQCLSA-N 0 1 290.407 2.921 20 30 CFEDMN C=CCN1CCCC[C@@H]1CNC(=O)[C@@H]1C[C@H]1c1ccccc1 ZINC001024763525 618463843 /nfs/dbraw/zinc/46/38/43/618463843.db2.gz HSWANZSHJVBWHW-FGTMMUONSA-N 0 1 298.430 2.947 20 30 CFEDMN C=CCN1CCCC[C@H]1CNC(=O)c1ncccc1Cl ZINC001024767990 618466294 /nfs/dbraw/zinc/46/62/94/618466294.db2.gz MMBYLESKPJPFMJ-LBPRGKRZSA-N 0 1 293.798 2.505 20 30 CFEDMN C#C[C@@H]1CCCN(Cc2[nH]cc(C(=O)OC)c2C2CC2)C1 ZINC000895206998 618472070 /nfs/dbraw/zinc/47/20/70/618472070.db2.gz ZALGVSWYDFCIIF-GFCCVEGCSA-N 0 1 286.375 2.524 20 30 CFEDMN Cc1ccc(N=NCc2cccc3c2OCCCO3)nc1 ZINC000727260519 618476682 /nfs/dbraw/zinc/47/66/82/618476682.db2.gz ZEACUYCHNVWPEP-UHFFFAOYSA-N 0 1 283.331 2.997 20 30 CFEDMN COC(=O)c1ccc(CN=Nc2ccc(C)cn2)cc1 ZINC000727263310 618478185 /nfs/dbraw/zinc/47/81/85/618478185.db2.gz XGBMFEDNQBHFDG-UHFFFAOYSA-N 0 1 269.304 2.623 20 30 CFEDMN CSCc1n[nH]c(CNc2cc(C)cc(F)c2C#N)n1 ZINC000895219256 618482283 /nfs/dbraw/zinc/48/22/83/618482283.db2.gz RCPPSYADXXADOG-UHFFFAOYSA-N 0 1 291.355 2.599 20 30 CFEDMN CSCc1nnc(CNc2cc(C)cc(F)c2C#N)[nH]1 ZINC000895219256 618482285 /nfs/dbraw/zinc/48/22/85/618482285.db2.gz RCPPSYADXXADOG-UHFFFAOYSA-N 0 1 291.355 2.599 20 30 CFEDMN C(CN1CCCCC1)NN=C1CCC2(CCCO2)CC1 ZINC000788014472 618517429 /nfs/dbraw/zinc/51/74/29/618517429.db2.gz CQOCQCSZZGOHLJ-UHFFFAOYSA-N 0 1 279.428 2.541 20 30 CFEDMN C[C@H](C#N)OCCN(C)[C@@H](C)c1ccccc1F ZINC000310708008 618608117 /nfs/dbraw/zinc/60/81/17/618608117.db2.gz JCPKYEHUBXNARY-NEPJUHHUSA-N 0 1 250.317 2.747 20 30 CFEDMN C#CCCN1C[C@H]2CC[C@@H](C1)N2C(=O)C[C@@H]1CC[C@@H](C)C1 ZINC001017820337 618672448 /nfs/dbraw/zinc/67/24/48/618672448.db2.gz AOIKKVFNIMUIPR-VQHPVUNQSA-N 0 1 288.435 2.511 20 30 CFEDMN C(#Cc1ccccc1)CNCc1ccc2c(c1)OCCCO2 ZINC000892859430 618759736 /nfs/dbraw/zinc/75/97/36/618759736.db2.gz HHAGLACQRRLQLN-UHFFFAOYSA-N 0 1 293.366 2.989 20 30 CFEDMN CCC[C@H](C#N)NC(=O)c1cccc2nc(C(F)F)[nH]c21 ZINC000931329832 618947742 /nfs/dbraw/zinc/94/77/42/618947742.db2.gz YEDPJGNAPITZLF-MRVPVSSYSA-N 0 1 292.289 2.923 20 30 CFEDMN C=C(C)CN1CCC[C@H](NC(=O)c2cc(C(C)C)no2)C1 ZINC001008749153 618967184 /nfs/dbraw/zinc/96/71/84/618967184.db2.gz QXLPSPWIDXCICV-ZDUSSCGKSA-N 0 1 291.395 2.568 20 30 CFEDMN C[C@H](CC(C)(C)C#N)N[C@H](c1nnc[nH]1)c1ccccc1 ZINC000893559082 619071585 /nfs/dbraw/zinc/07/15/85/619071585.db2.gz GJXFJWDZSPHOKQ-OCCSQVGLSA-N 0 1 283.379 2.812 20 30 CFEDMN CC(C)CN(CCC#N)CCC(=O)Nc1ccccc1C#N ZINC000314652276 619089377 /nfs/dbraw/zinc/08/93/77/619089377.db2.gz MZAZDAYAIYDHNP-UHFFFAOYSA-N 0 1 298.390 2.759 20 30 CFEDMN CC[C@@H](CC#N)NC1CC(CNC(=O)OC(C)(C)C)C1 ZINC000893605504 619090279 /nfs/dbraw/zinc/09/02/79/619090279.db2.gz HDWNETUBFZMMSF-CPCZMJQVSA-N 0 1 281.400 2.572 20 30 CFEDMN C[C@H](NCc1ccc(C#N)cc1F)C1(Cl)CC1 ZINC000924981568 619314845 /nfs/dbraw/zinc/31/48/45/619314845.db2.gz WBBGCKKNHKGENR-VIFPVBQESA-N 0 1 252.720 2.947 20 30 CFEDMN N#C[C@H](C(=O)CC1CCCC1)C(=O)NC1CCCCC1 ZINC000048541082 619353770 /nfs/dbraw/zinc/35/37/70/619353770.db2.gz STORVBJEBVZXLX-CQSZACIVSA-N 0 1 276.380 2.724 20 30 CFEDMN C#C[C@@H]([NH2+]Cc1ncc(Br)cc1[O-])C(C)(C)C ZINC000894517110 619407540 /nfs/dbraw/zinc/40/75/40/619407540.db2.gz FCNZSTAHRUTVLB-GFCCVEGCSA-N 0 1 297.196 2.687 20 30 CFEDMN C=CCCN(C)Cc1ccc(OC)c(OC)c1F ZINC000894532386 619411478 /nfs/dbraw/zinc/41/14/78/619411478.db2.gz JFYCQSRXPKOAGW-UHFFFAOYSA-N 0 1 253.317 2.851 20 30 CFEDMN CC(C)[C@@H]1CN(Cc2csc(C#N)c2)CCCO1 ZINC000894657967 619434496 /nfs/dbraw/zinc/43/44/96/619434496.db2.gz YWRWAPNDBXEGAT-AWEZNQCLSA-N 0 1 264.394 2.867 20 30 CFEDMN C#C[C@H](NCc1n[nH]c(C)c1C)c1ccc(F)cc1 ZINC000894820242 619472907 /nfs/dbraw/zinc/47/29/07/619472907.db2.gz ZYAAAXWIMWMQRI-AWEZNQCLSA-N 0 1 257.312 2.630 20 30 CFEDMN C=CCC[C@H](CO)[NH2+]Cc1ccc2ccccc2c1[O-] ZINC000894935224 619515393 /nfs/dbraw/zinc/51/53/93/619515393.db2.gz VNWGJKDQLHHSHP-OAHLLOKOSA-N 0 1 271.360 2.962 20 30 CFEDMN COC(=O)c1coc(C(C)=NNc2cccc(Cl)n2)c1 ZINC000793162229 619533913 /nfs/dbraw/zinc/53/39/13/619533913.db2.gz SHFNKWNEBWGNTD-UHFFFAOYSA-N 0 1 293.710 2.951 20 30 CFEDMN COc1cc(C=NNc2cccc(Cl)n2)cc(O)c1O ZINC000793174054 619535592 /nfs/dbraw/zinc/53/55/92/619535592.db2.gz HVVSCBCUBZHMSK-UHFFFAOYSA-N 0 1 293.710 2.601 20 30 CFEDMN C#CC[N@H+](C)CCCNC(=O)N1Cc2ccccc2[C@@H]1CC ZINC000895057716 619537630 /nfs/dbraw/zinc/53/76/30/619537630.db2.gz XAPWBVHMSDLVBZ-KRWDZBQOSA-N 0 1 299.418 2.618 20 30 CFEDMN CCOc1cccc(CN2C[C@H](C)N(CC#N)[C@@H](C)C2)c1 ZINC000895489273 619540273 /nfs/dbraw/zinc/54/02/73/619540273.db2.gz ACEDHKOGFXONRD-GJZGRUSLSA-N 0 1 287.407 2.503 20 30 CFEDMN CCOc1cccc(CN2C[C@@H](C)N(CC#N)[C@H](C)C2)c1 ZINC000895489275 619540382 /nfs/dbraw/zinc/54/03/82/619540382.db2.gz ACEDHKOGFXONRD-HUUCEWRRSA-N 0 1 287.407 2.503 20 30 CFEDMN C=CC[C@H]1CCN(Cc2ccnc(OC)c2F)C1 ZINC000895556783 619554796 /nfs/dbraw/zinc/55/47/96/619554796.db2.gz BPEIBFUUZDTWIO-NSHDSACASA-N 0 1 250.317 2.627 20 30 CFEDMN C=C1CCC(C(=O)N2CCN(C3CCCC3)CC2)CC1 ZINC000895628778 619570976 /nfs/dbraw/zinc/57/09/76/619570976.db2.gz ALQNAUFHSQPYJW-UHFFFAOYSA-N 0 1 276.424 2.820 20 30 CFEDMN C#CCC1(O)CC[NH+](Cc2cc(Cl)c(C)cc2[O-])CC1 ZINC000895669743 619582317 /nfs/dbraw/zinc/58/23/17/619582317.db2.gz GBRZTVWICMYCID-UHFFFAOYSA-N 0 1 293.794 2.704 20 30 CFEDMN CSC1CCN(Cc2csc(C#N)c2)CC1 ZINC000895693127 619584619 /nfs/dbraw/zinc/58/46/19/619584619.db2.gz TVHIXSWVZNVZMH-UHFFFAOYSA-N 0 1 252.408 2.947 20 30 CFEDMN C#CCN1CCC(Nc2nccnc2-c2ccccc2)CC1 ZINC000895809024 619609790 /nfs/dbraw/zinc/60/97/90/619609790.db2.gz XLZWDRPDKLEPDW-UHFFFAOYSA-N 0 1 292.386 2.653 20 30 CFEDMN C#CCN1CCC(Nc2ncc(C#N)c3ccsc32)CC1 ZINC000895810836 619610214 /nfs/dbraw/zinc/61/02/14/619610214.db2.gz LLEMGSUZTFSUDZ-UHFFFAOYSA-N 0 1 296.399 2.677 20 30 CFEDMN C=CCC1(O)CCN(Cc2cc(F)ccc2N(C)C)CC1 ZINC000895827190 619612657 /nfs/dbraw/zinc/61/26/57/619612657.db2.gz LFALDVYNWFBVOF-UHFFFAOYSA-N 0 1 292.398 2.795 20 30 CFEDMN CC1(C)CC[C@@H](CO)N(Cc2cc(C#N)cs2)C1 ZINC000895922976 619635043 /nfs/dbraw/zinc/63/50/43/619635043.db2.gz NKIPIEJSUOOLOX-LBPRGKRZSA-N 0 1 264.394 2.603 20 30 CFEDMN C#CCC1(O)CCN(Cc2ccc(CC(C)C)nc2)CC1 ZINC000896025427 619654960 /nfs/dbraw/zinc/65/49/60/619654960.db2.gz MFHHDMJDSDVNKZ-UHFFFAOYSA-N 0 1 286.419 2.630 20 30 CFEDMN C=CC[C@@H](NC(=O)[C@H]1CCN1C(C)(C)C)c1ccncc1 ZINC000896384303 619726743 /nfs/dbraw/zinc/72/67/43/619726743.db2.gz AEXXVWDUBRNCJB-HUUCEWRRSA-N 0 1 287.407 2.688 20 30 CFEDMN C[C@H](CCC#N)CN[C@H]1c2ccccc2OC[C@@H]1F ZINC000896424323 619735049 /nfs/dbraw/zinc/73/50/49/619735049.db2.gz ZZQLBLQIFBNDFE-ZLDLUXBVSA-N 0 1 262.328 2.988 20 30 CFEDMN C[C@H](CCC#N)CN1CCS[C@@H](C(F)(F)F)C1 ZINC000896454892 619738107 /nfs/dbraw/zinc/73/81/07/619738107.db2.gz BBNACFULZKFQNW-NXEZZACHSA-N 0 1 266.332 2.906 20 30 CFEDMN Cc1occc1CN1CCC[C@H](Nc2ccc(C#N)cn2)C1 ZINC000896650666 619783419 /nfs/dbraw/zinc/78/34/19/619783419.db2.gz KIXIHSLZGAEXGQ-INIZCTEOSA-N 0 1 296.374 2.931 20 30 CFEDMN N#C[C@@H]1CC[C@@H](NCC(=O)N2CCCCc3ccccc32)C1 ZINC000896926194 619893206 /nfs/dbraw/zinc/89/32/06/619893206.db2.gz UQPWXNATARSDRW-GDBMZVCRSA-N 0 1 297.402 2.638 20 30 CFEDMN C=C(Cl)CN(C)C1CCN(C(=O)CC(C)C)CC1 ZINC000985223376 619931204 /nfs/dbraw/zinc/93/12/04/619931204.db2.gz DDKTUMJUGGBVDL-UHFFFAOYSA-N 0 1 272.820 2.708 20 30 CFEDMN C#Cc1ccc(CN2CCC(CO)(C(F)(F)F)CC2)cc1 ZINC000897037017 619917222 /nfs/dbraw/zinc/91/72/22/619917222.db2.gz FBLOXPUDLQEXRH-UHFFFAOYSA-N 0 1 297.320 2.805 20 30 CFEDMN CC(C)[C@H](NCC#Cc1ccccc1)c1cnn(C)c1 ZINC000897079992 619929028 /nfs/dbraw/zinc/92/90/28/619929028.db2.gz NLPUTSZMWTUBJB-KRWDZBQOSA-N 0 1 267.376 2.759 20 30 CFEDMN C=C(Cl)CN(C)C1CCN(C(=O)[C@@H](C)C2CC2)CC1 ZINC000985359167 619963959 /nfs/dbraw/zinc/96/39/59/619963959.db2.gz OOSPZFAKSNBAQT-LBPRGKRZSA-N 0 1 284.831 2.708 20 30 CFEDMN C=C(Cl)CN(C)C1CCN(C(=O)C2(C)CCC2)CC1 ZINC000985581430 620004970 /nfs/dbraw/zinc/00/49/70/620004970.db2.gz KBRJMWKGVPDYIX-UHFFFAOYSA-N 0 1 284.831 2.852 20 30 CFEDMN C=C(Cl)CN[C@@H]1CCN(C(=O)C2CCCCC2)[C@@H]1C ZINC000985887676 620049041 /nfs/dbraw/zinc/04/90/41/620049041.db2.gz HQWGQKBCEPKPGC-TZMCWYRMSA-N 0 1 284.831 2.898 20 30 CFEDMN C=C(Cl)CN[C@@H]1CCN(C(=O)C(CC)CC)[C@@H]1C ZINC000986002736 620057593 /nfs/dbraw/zinc/05/75/93/620057593.db2.gz MESUYACEQUXPID-DGCLKSJQSA-N 0 1 272.820 2.754 20 30 CFEDMN C=C(Cl)CN[C@@H]1CCN(C(=O)C2CC(C)(C)C2)[C@@H]1C ZINC000986230705 620076774 /nfs/dbraw/zinc/07/67/74/620076774.db2.gz ODAQMWPPDDFZBD-DGCLKSJQSA-N 0 1 284.831 2.754 20 30 CFEDMN C=C(Cl)CN[C@@H]1CCN(C(=O)c2[nH]c(C)cc2C)[C@H]1C ZINC000986414770 620081678 /nfs/dbraw/zinc/08/16/78/620081678.db2.gz LRRUELSQPSNEHR-QWHCGFSZSA-N 0 1 295.814 2.577 20 30 CFEDMN C=C(Cl)CN[C@@H]1CCN(C(=O)C2CC3(CCC3)C2)[C@@H]1C ZINC000986670357 620096451 /nfs/dbraw/zinc/09/64/51/620096451.db2.gz CBMTYFCHVTXTOG-TZMCWYRMSA-N 0 1 296.842 2.898 20 30 CFEDMN C=C(Cl)CN[C@H]1CCN(C(=O)C2CC3(CCC3)C2)[C@H]1C ZINC000986670353 620096510 /nfs/dbraw/zinc/09/65/10/620096510.db2.gz CBMTYFCHVTXTOG-JSGCOSHPSA-N 0 1 296.842 2.898 20 30 CFEDMN C=C(Cl)CN[C@H]1CCN(C(=O)C2CC3(CCC3)C2)[C@@H]1C ZINC000986670355 620096636 /nfs/dbraw/zinc/09/66/36/620096636.db2.gz CBMTYFCHVTXTOG-OCCSQVGLSA-N 0 1 296.842 2.898 20 30 CFEDMN C=CCC1(C(=O)Nc2n[nH]c(C(=O)OCC)c2C)CCC1 ZINC000888134085 620126216 /nfs/dbraw/zinc/12/62/16/620126216.db2.gz JXQCKKQDVVNERC-UHFFFAOYSA-N 0 1 291.351 2.580 20 30 CFEDMN C=C(Cl)CN[C@H]1C[C@H](C)N(C(=O)CCC2CC2)C1 ZINC000988404049 620179713 /nfs/dbraw/zinc/17/97/13/620179713.db2.gz LHHCQKMEJHTNKM-AAEUAGOBSA-N 0 1 270.804 2.508 20 30 CFEDMN N#Cc1cnc(Cl)c(CNC[C@H]2CC[C@@H](C3CC3)O2)c1 ZINC000897505648 620195611 /nfs/dbraw/zinc/19/56/11/620195611.db2.gz NIBQTNFLZBSLMC-KGLIPLIRSA-N 0 1 291.782 2.654 20 30 CFEDMN CCCCCCCCCCC(=O)N1CCNCC1 ZINC000236842862 620199780 /nfs/dbraw/zinc/19/97/80/620199780.db2.gz KVZVPWCNZBERDH-UHFFFAOYSA-N 0 1 254.418 2.949 20 30 CFEDMN C=C(Cl)CN[C@@H]1C[C@H](C)N(C(=O)c2cc(C)c(C)o2)C1 ZINC000988611620 620205263 /nfs/dbraw/zinc/20/52/63/620205263.db2.gz JMBSBPBIPJOWHF-WCQYABFASA-N 0 1 296.798 2.842 20 30 CFEDMN C=C(Cl)CN[C@@H]1C[C@@H](C)N(C(=O)c2cc(C)c(C)o2)C1 ZINC000988611619 620205306 /nfs/dbraw/zinc/20/53/06/620205306.db2.gz JMBSBPBIPJOWHF-DGCLKSJQSA-N 0 1 296.798 2.842 20 30 CFEDMN C=C(Cl)CN[C@H]1C[C@@H](C)N(C(=O)c2ccoc2CC)C1 ZINC000988757876 620220695 /nfs/dbraw/zinc/22/06/95/620220695.db2.gz JPIVHHQJCOOSJB-NEPJUHHUSA-N 0 1 296.798 2.787 20 30 CFEDMN C=C(Cl)CN[C@H]1C[C@@H](C)N(C(=O)c2c(C)coc2C)C1 ZINC000988759238 620220703 /nfs/dbraw/zinc/22/07/03/620220703.db2.gz SLODDFXFGAJIRP-YPMHNXCESA-N 0 1 296.798 2.842 20 30 CFEDMN C=C(Cl)C[C@H]([NH2+]Cc1ccc(CC)o1)C(=O)[O-] ZINC000864518647 620226032 /nfs/dbraw/zinc/22/60/32/620226032.db2.gz PSQHGUWJLXCNHG-NSHDSACASA-N 0 1 257.717 2.527 20 30 CFEDMN C=C(Cl)CN[C@@H]1C[C@H](C)N(C(=O)c2ccc(CC)o2)C1 ZINC000989055813 620230514 /nfs/dbraw/zinc/23/05/14/620230514.db2.gz PLSDSXHZIXPIHH-NWDGAFQWSA-N 0 1 296.798 2.787 20 30 CFEDMN C=CCCO[C@@H](C)C(=O)C(C#N)c1nc(C)cs1 ZINC000067785623 620234741 /nfs/dbraw/zinc/23/47/41/620234741.db2.gz CVIFLIBPKYHWQT-WDEREUQCSA-N 0 1 264.350 2.609 20 30 CFEDMN C#Cc1cccc(NC(=O)c2cn[nH]c2C(C)C)c1 ZINC000193304704 620238501 /nfs/dbraw/zinc/23/85/01/620238501.db2.gz SBCLYLDOXINQBO-UHFFFAOYSA-N 0 1 253.305 2.767 20 30 CFEDMN O=C1C=COC2(CCN(Cc3cc4cccnc4o3)CC2)C1 ZINC000897599779 620255099 /nfs/dbraw/zinc/25/50/99/620255099.db2.gz VTMVQWGUAOKCDS-UHFFFAOYSA-N 0 1 298.342 2.666 20 30 CFEDMN Cc1[nH]nc(CN(C)Cc2cc(C#N)cs2)c1C ZINC000897624636 620262055 /nfs/dbraw/zinc/26/20/55/620262055.db2.gz SOILUESALXMRJC-UHFFFAOYSA-N 0 1 260.366 2.592 20 30 CFEDMN COc1ccc(C[C@@H](C)NCc2nc(C#N)cs2)cc1 ZINC000897628810 620263592 /nfs/dbraw/zinc/26/35/92/620263592.db2.gz MOSZKVLWOZQQEH-LLVKDONJSA-N 0 1 287.388 2.744 20 30 CFEDMN C=C(C)CN1CCCN(C(=O)C(C2CC2)C2CC2)CC1 ZINC000989446938 620304460 /nfs/dbraw/zinc/30/44/60/620304460.db2.gz CNMBSFDKDBPBMF-UHFFFAOYSA-N 0 1 276.424 2.533 20 30 CFEDMN Cn1nc(CN[C@@H]2CCC[C@H](C#N)C2)cc1C(F)(F)F ZINC000898021502 620324234 /nfs/dbraw/zinc/32/42/34/620324234.db2.gz JGIVLJUIPPDMRL-VHSXEESVSA-N 0 1 286.301 2.611 20 30 CFEDMN CSCC(C)(C)NCc1cc(C#N)cnc1Cl ZINC000898305229 620369090 /nfs/dbraw/zinc/36/90/90/620369090.db2.gz UOAZFEJUCZXVGE-UHFFFAOYSA-N 0 1 269.801 2.838 20 30 CFEDMN C=CCN1CCCN(C(=O)c2cccc(C(F)F)c2)CC1 ZINC000989531376 620380596 /nfs/dbraw/zinc/38/05/96/620380596.db2.gz YBLPHIRLNSYDRM-UHFFFAOYSA-N 0 1 294.345 2.958 20 30 CFEDMN C=C(C)CN1CCCN(C(=O)c2ccc(C)cc2)CC1 ZINC000989547492 620380824 /nfs/dbraw/zinc/38/08/24/620380824.db2.gz CVAJXIVSYGXNIT-UHFFFAOYSA-N 0 1 272.392 2.719 20 30 CFEDMN C#CCCN1CCCN(C(=O)c2cc(C)c(C)s2)CC1 ZINC000989626335 620384028 /nfs/dbraw/zinc/38/40/28/620384028.db2.gz YJOOYUHHWOHDAS-UHFFFAOYSA-N 0 1 290.432 2.536 20 30 CFEDMN C=CCN1CC[C@@H](NC(=O)[C@@H]2[C@@H](c3ccccc3)C2(C)C)C1 ZINC001014470949 620404146 /nfs/dbraw/zinc/40/41/46/620404146.db2.gz VGBWFNUWFRXNJM-ZACQAIPSSA-N 0 1 298.430 2.803 20 30 CFEDMN C#CC[N@H+]1CC[C@@]2(NC(=O)C=C3CCCCC3)CCC[C@@H]12 ZINC000989998586 620407353 /nfs/dbraw/zinc/40/73/53/620407353.db2.gz GIUUVEDEYYYQKU-AEFFLSMTSA-N 0 1 286.419 2.623 20 30 CFEDMN CC(C)N1CCC[C@H]1C(=O)OCCCC(C)(C)C#N ZINC000923887166 620425597 /nfs/dbraw/zinc/42/55/97/620425597.db2.gz FHJYFEVSDOXPMB-ZDUSSCGKSA-N 0 1 266.385 2.732 20 30 CFEDMN N#Cc1csc(CNCCCOc2cccc(F)c2)n1 ZINC000898445908 620466612 /nfs/dbraw/zinc/46/66/12/620466612.db2.gz VVZWTDMDAUYSRQ-UHFFFAOYSA-N 0 1 291.351 2.713 20 30 CFEDMN C=C[C@@H](CC(=O)N1CCC[C@H]1c1nnc[nH]1)c1ccccc1 ZINC000899105992 620521114 /nfs/dbraw/zinc/52/11/14/620521114.db2.gz PBFCMJMCZSRNHO-ZFWWWQNUSA-N 0 1 296.374 2.828 20 30 CFEDMN C#CC[C@H]1C(=O)N(c2ccc(OC(F)F)cc2)N=C1C ZINC000899349557 620549914 /nfs/dbraw/zinc/54/99/14/620549914.db2.gz GBYIZVGNRHCYSX-GFCCVEGCSA-N 0 1 278.258 2.650 20 30 CFEDMN C#CCc1c(C)[nH]n(-c2ccc(OC(F)F)cc2)c1=O ZINC000899349557 620549915 /nfs/dbraw/zinc/54/99/15/620549915.db2.gz GBYIZVGNRHCYSX-GFCCVEGCSA-N 0 1 278.258 2.650 20 30 CFEDMN Cc1[nH]n(-c2cc(F)ccc2F)c(=O)c1CCC#N ZINC000899362087 620553263 /nfs/dbraw/zinc/55/32/63/620553263.db2.gz JVNDUQWBBKSWIC-SNVBAGLBSA-N 0 1 263.247 2.607 20 30 CFEDMN C=C(CC)Cn1cc(CN(C(C)C)C(C)C)nn1 ZINC000899713122 620594448 /nfs/dbraw/zinc/59/44/48/620594448.db2.gz YMRNPDAZXXXAGN-UHFFFAOYSA-N 0 1 250.390 2.863 20 30 CFEDMN C#CCOc1cccc(Cl)c1C[N@H+](C)C[C@H](C)C(=O)[O-] ZINC000901595697 620865745 /nfs/dbraw/zinc/86/57/45/620865745.db2.gz AFKMCXKDHJRNHK-NSHDSACASA-N 0 1 295.766 2.505 20 30 CFEDMN N#CCC[C@H](C#N)CNC[C@H]1CCCC2(CCC2)O1 ZINC000901607039 620872752 /nfs/dbraw/zinc/87/27/52/620872752.db2.gz JMTLYKJVCUYJJH-ZIAGYGMSSA-N 0 1 261.369 2.511 20 30 CFEDMN N#CCC[C@@H](C#N)CNCC[C@H]1OCCc2ccccc21 ZINC000901630688 620875449 /nfs/dbraw/zinc/87/54/49/620875449.db2.gz KGTMTTZEJVVUBB-WMLDXEAASA-N 0 1 283.375 2.724 20 30 CFEDMN C#CCCCCCC[N@H+]1CC[C@H](C(=O)[O-])[C@H](C)C1 ZINC000901888201 620934521 /nfs/dbraw/zinc/93/45/21/620934521.db2.gz ANBLFVUVCCXTEN-KGLIPLIRSA-N 0 1 251.370 2.613 20 30 CFEDMN C=C[C@H]1CCCC[N@@H+]1Cc1cc(C(=O)[O-])cs1 ZINC000902544855 621123846 /nfs/dbraw/zinc/12/38/46/621123846.db2.gz KPZRHJIYRXOMJQ-NSHDSACASA-N 0 1 251.351 2.987 20 30 CFEDMN C[C@H](NCCOc1ccccc1F)c1cc(C#N)ccn1 ZINC000902725271 621158603 /nfs/dbraw/zinc/15/86/03/621158603.db2.gz TXIGECARJLLVFF-LBPRGKRZSA-N 0 1 285.322 2.822 20 30 CFEDMN COc1cccc(CN[C@H](C)c2cc(C#N)ccn2)c1 ZINC000902727149 621158859 /nfs/dbraw/zinc/15/88/59/621158859.db2.gz WSQPMHNUHCSBHO-GFCCVEGCSA-N 0 1 267.332 2.813 20 30 CFEDMN C[C@H](NCc1ccc(N(C)C)cc1)c1cc(C#N)ccn1 ZINC000902728462 621160037 /nfs/dbraw/zinc/16/00/37/621160037.db2.gz UOXPKIZZFAKWKF-ZDUSSCGKSA-N 0 1 280.375 2.870 20 30 CFEDMN COCc1ccc(CN[C@H](C)c2cc(C#N)ccn2)cc1 ZINC000902732493 621160557 /nfs/dbraw/zinc/16/05/57/621160557.db2.gz FGCSXQFDHSCDEF-CYBMUJFWSA-N 0 1 281.359 2.950 20 30 CFEDMN C[C@@H](NCc1ccc([C@H](C)O)cc1)c1cc(C#N)ccn1 ZINC000902763154 621162834 /nfs/dbraw/zinc/16/28/34/621162834.db2.gz UQZVFWVKGZOHGP-OLZOCXBDSA-N 0 1 281.359 2.857 20 30 CFEDMN CC[C@@H](NCc1cnn(C)c1)c1cccc(C#N)c1 ZINC000902760630 621167207 /nfs/dbraw/zinc/16/72/07/621167207.db2.gz IUEOOLZNSYWONU-OAHLLOKOSA-N 0 1 254.337 2.533 20 30 CFEDMN C[C@H](N[C@H](CCO)c1ccccc1)c1cc(C#N)ccn1 ZINC000902816354 621185471 /nfs/dbraw/zinc/18/54/71/621185471.db2.gz ONTFIFZBSWQTCK-XJKSGUPXSA-N 0 1 281.359 2.728 20 30 CFEDMN C[C@H](NC[C@@H]1OCCc2ccccc21)c1cc(C#N)ccn1 ZINC000902865652 621191593 /nfs/dbraw/zinc/19/15/93/621191593.db2.gz OBTPPKNUFDLYAD-UGSOOPFHSA-N 0 1 293.370 2.918 20 30 CFEDMN C=CCOCCN[C@@H](C)c1ccc(C(F)(F)F)cn1 ZINC000902944706 621207222 /nfs/dbraw/zinc/20/72/22/621207222.db2.gz KOAFWLVWPAMEBL-JTQLQIEISA-N 0 1 274.286 2.954 20 30 CFEDMN C=CC[C@@H](OC(=O)CCc1nc[nH]n1)c1ccccc1 ZINC000189243409 625473370 /nfs/dbraw/zinc/47/33/70/625473370.db2.gz XYFODVRTUMEUNH-CYBMUJFWSA-N 0 1 271.320 2.598 20 30 CFEDMN C=CCC[C@H](NCc1ncccn1)[C@]1(C)CCCCO1 ZINC000903054846 621235050 /nfs/dbraw/zinc/23/50/50/621235050.db2.gz RPBMRKUSQZQTSL-HOCLYGCPSA-N 0 1 275.396 2.860 20 30 CFEDMN COCCOc1ccc([C@@H](C)NCC(C)(C)C#N)cc1 ZINC000903100762 621252891 /nfs/dbraw/zinc/25/28/91/621252891.db2.gz XBDKIVWYXJZQJW-CYBMUJFWSA-N 0 1 276.380 2.912 20 30 CFEDMN C[C@@H](Cc1ccc(F)cc1[N+](=O)[O-])NCC(C)(C)C#N ZINC000903102179 621253410 /nfs/dbraw/zinc/25/34/10/621253410.db2.gz TZERROCXFBPLIG-JTQLQIEISA-N 0 1 279.315 2.804 20 30 CFEDMN C[C@@H](CC(=O)OC(C)(C)C)NCC1(C#N)CCCC1 ZINC000903109626 621256485 /nfs/dbraw/zinc/25/64/85/621256485.db2.gz TWVMUDQLYBBMLB-LBPRGKRZSA-N 0 1 266.385 2.780 20 30 CFEDMN C#C[C@H](N[C@@H](C)c1cnn(CC2CCC2)c1)[C@@H]1CCCO1 ZINC000903152828 621268831 /nfs/dbraw/zinc/26/88/31/621268831.db2.gz PXHBFAZOMYNLAL-JQFCIGGWSA-N 0 1 287.407 2.515 20 30 CFEDMN COC1([C@H](C)NCc2nc(C#N)cs2)CCCCC1 ZINC000903264444 621304891 /nfs/dbraw/zinc/30/48/91/621304891.db2.gz TXXDFMTVJODIBV-NSHDSACASA-N 0 1 279.409 2.842 20 30 CFEDMN C[C@@H]1C[N@@H+](Cc2cc(Cl)cc(C#N)c2)CC[C@@H]1C(=O)[O-] ZINC000903408154 621362985 /nfs/dbraw/zinc/36/29/85/621362985.db2.gz FCYRPSCEBXAPKB-YGRLFVJLSA-N 0 1 292.766 2.754 20 30 CFEDMN CC[C@@H](C(=O)[O-])[N@@H+](C)Cc1cc(Cl)cc(C#N)c1 ZINC000903408499 621363793 /nfs/dbraw/zinc/36/37/93/621363793.db2.gz JVXUNXSNDPHQHN-LBPRGKRZSA-N 0 1 266.728 2.507 20 30 CFEDMN C[C@@H]1CC[C@H](C(=O)[O-])C[N@H+]1Cc1cc(Cl)cc(C#N)c1 ZINC000903409121 621364170 /nfs/dbraw/zinc/36/41/70/621364170.db2.gz WCOSBYYVMGHMLO-MFKMUULPSA-N 0 1 292.766 2.897 20 30 CFEDMN CCC[N@@H+](CC(=O)[O-])Cc1cc(Cl)cc(C#N)c1 ZINC000903401968 621368574 /nfs/dbraw/zinc/36/85/74/621368574.db2.gz GXQJNGDAOFUGEI-UHFFFAOYSA-N 0 1 266.728 2.508 20 30 CFEDMN C=CC[N@H+](CC(=O)[O-])C[C@@H]1[C@@H](c2ccccc2)C1(F)F ZINC000903595253 621403892 /nfs/dbraw/zinc/40/38/92/621403892.db2.gz CYOOCQIUMJPLPM-TZMCWYRMSA-N 0 1 281.302 2.608 20 30 CFEDMN C=CC(C)(C)CCCNC(=O)c1[nH]nc2c1CCC2 ZINC000832726118 625499181 /nfs/dbraw/zinc/49/91/81/625499181.db2.gz YLWPPIFJTFOKOH-UHFFFAOYSA-N 0 1 261.369 2.621 20 30 CFEDMN CCn1cc(/C=C\C(=O)c2cccc(CN(C)C)c2)cn1 ZINC000905078856 621690332 /nfs/dbraw/zinc/69/03/32/621690332.db2.gz XROSFHVJYVHXAH-HJWRWDBZSA-N 0 1 283.375 2.861 20 30 CFEDMN C(=NNc1ccccn1)c1nccc2c1CCCC2 ZINC000905419829 621764721 /nfs/dbraw/zinc/76/47/21/621764721.db2.gz BDXZPOUVSVCZBO-UHFFFAOYSA-N 0 1 252.321 2.801 20 30 CFEDMN Cc1nn(C)c(C=NNc2cc(Cl)nc(C)n2)c1Cl ZINC000905451006 621768102 /nfs/dbraw/zinc/76/81/02/621768102.db2.gz QEDFXHXSWWFNBA-UHFFFAOYSA-N 0 1 299.165 2.580 20 30 CFEDMN Cc1cc(C#N)cc(C)c1C=NNCCN1CCCCC1 ZINC000905437639 621772088 /nfs/dbraw/zinc/77/20/88/621772088.db2.gz YJJAGGADBMPPQX-UHFFFAOYSA-N 0 1 284.407 2.585 20 30 CFEDMN CC(N=Nc1cnn(C)c1)c1ccc(C(F)(F)F)cn1 ZINC000905463567 621779251 /nfs/dbraw/zinc/77/92/51/621779251.db2.gz AENVFOLAVQXKJC-UHFFFAOYSA-N 0 1 283.257 2.670 20 30 CFEDMN C#CCN(Cc1ccc(C(C)C)cc(=O)c1O)C(C)C ZINC000905750584 621832946 /nfs/dbraw/zinc/83/29/46/621832946.db2.gz VYCIVIQWLIWHNT-UHFFFAOYSA-N 0 1 273.376 2.719 20 30 CFEDMN CN(Cc1cn(CC2CCC(C#N)CC2)nn1)C(C)(C)C ZINC000905815977 621875514 /nfs/dbraw/zinc/87/55/14/621875514.db2.gz OKZBGEGPLPQNEN-UHFFFAOYSA-N 0 1 289.427 2.838 20 30 CFEDMN N#Cc1cc(O)ccc1-c1cnc([C@@H]2CCCCN2)nc1 ZINC000906177556 621945345 /nfs/dbraw/zinc/94/53/45/621945345.db2.gz FTJDMWIVABFCFB-HNNXBMFYSA-N 0 1 280.331 2.535 20 30 CFEDMN N#C[C@@]1(C(=O)Nc2ccc3[nH]nnc3c2)CC2CCC1CC2 ZINC000906916749 622066018 /nfs/dbraw/zinc/06/60/18/622066018.db2.gz MQQLRIDYVCCMLP-PRDDCLIZSA-N 0 1 295.346 2.616 20 30 CFEDMN C=C1CC(C)(C(=O)N2CC[N@H+](C)C3(CCCCC3)C2)C1 ZINC000908575619 622248332 /nfs/dbraw/zinc/24/83/32/622248332.db2.gz QPAMLJMVUUJJSF-UHFFFAOYSA-N 0 1 276.424 2.820 20 30 CFEDMN C=CCCC(=O)[C@@H]1CCCN1C(=O)[C@@H](CC)N(CC)CC ZINC000908647470 622254329 /nfs/dbraw/zinc/25/43/29/622254329.db2.gz DBJWZLDIIMSIQC-CABCVRRESA-N 0 1 294.439 2.633 20 30 CFEDMN Cc1cc(Br)cnc1N=NC1C[C@H](C)N(C)C1 ZINC000819826803 622565155 /nfs/dbraw/zinc/56/51/55/622565155.db2.gz BGXIWIXMWBQUJR-VIFPVBQESA-N 0 1 297.200 2.644 20 30 CFEDMN C#CCN(C(=O)c1cc2[nH]cnc2cc1F)C1CCCC1 ZINC000819896149 622568278 /nfs/dbraw/zinc/56/82/78/622568278.db2.gz WVUIMVPJQAFSFB-UHFFFAOYSA-N 0 1 285.322 2.720 20 30 CFEDMN C[C@@H](C(=O)NCC#CCN(C)C)c1ccc2ccccc2c1 ZINC000913519706 622910702 /nfs/dbraw/zinc/91/07/02/622910702.db2.gz LIGMERNMFTWMPP-OAHLLOKOSA-N 0 1 294.398 2.625 20 30 CFEDMN CC(C)c1ccc([C@@H]2C[C@@H]2C(=O)NCC#CCN(C)C)cc1 ZINC000913519074 622910871 /nfs/dbraw/zinc/91/08/71/622910871.db2.gz MJHCMMGROUIYNM-ROUUACIJSA-N 0 1 298.430 2.595 20 30 CFEDMN Cc1ccc2c(C(=O)NCC#CCN(C)C)csc2c1 ZINC000913521844 622911061 /nfs/dbraw/zinc/91/10/61/622911061.db2.gz PEOVFLZGMAEWJK-UHFFFAOYSA-N 0 1 286.400 2.505 20 30 CFEDMN C=C(C)C(C)(C)C(=O)OCc1cc(O)ccc1[N+](=O)[O-] ZINC000821451984 622925911 /nfs/dbraw/zinc/92/59/11/622925911.db2.gz KBSNTOKCVXYKDT-UHFFFAOYSA-N 0 1 279.292 2.946 20 30 CFEDMN N#Cc1cccc(/C=C/C(=O)c2cc(O)ccc2O)c1 ZINC000156663172 622953433 /nfs/dbraw/zinc/95/34/33/622953433.db2.gz ZZCLZDFKKSAQCJ-GQCTYLIASA-N 0 1 265.268 2.866 20 30 CFEDMN C#CC[C@@H](OC(=O)c1cc2[nH]cnc2cc1F)C1CC1 ZINC000821626470 622956619 /nfs/dbraw/zinc/95/66/19/622956619.db2.gz PDELSSJNQPYKPB-CQSZACIVSA-N 0 1 272.279 2.661 20 30 CFEDMN C=C(C)CN1CCC[C@H](NC(=O)OC(C)(C)C)C1 ZINC000056316463 622980652 /nfs/dbraw/zinc/98/06/52/622980652.db2.gz KSDNWEURSXEGQW-LBPRGKRZSA-N 0 1 254.374 2.552 20 30 CFEDMN N#CC1CCN(Cc2ccc(C(=O)N3CCCC3)cc2)CC1 ZINC000057879030 623017629 /nfs/dbraw/zinc/01/76/29/623017629.db2.gz ISFFQNOTHRCJML-UHFFFAOYSA-N 0 1 297.402 2.658 20 30 CFEDMN COC(=O)Cc1ccccc1CN(CCC#N)CC(C)C ZINC000167677692 623062244 /nfs/dbraw/zinc/06/22/44/623062244.db2.gz OIQHMDXWUMOVMC-UHFFFAOYSA-N 0 1 288.391 2.774 20 30 CFEDMN C#CC[N@@H+](Cc1ccc(F)cc1)C[C@H](OC)C1CC1 ZINC000822588546 623131428 /nfs/dbraw/zinc/13/14/28/623131428.db2.gz VYPISYCHAMEDRL-INIZCTEOSA-N 0 1 261.340 2.686 20 30 CFEDMN C#CCN(Cc1ccc(F)cc1)C[C@H](OC)C1CC1 ZINC000822588546 623131430 /nfs/dbraw/zinc/13/14/30/623131430.db2.gz VYPISYCHAMEDRL-INIZCTEOSA-N 0 1 261.340 2.686 20 30 CFEDMN C[C@@H]1C[C@@H](CC(=O)[C@@H](C#N)C(=O)NC2CC2)CC(C)(C)C1 ZINC000171365936 623219334 /nfs/dbraw/zinc/21/93/34/623219334.db2.gz HIGUAUVSAPRQOF-MBNYWOFBSA-N 0 1 290.407 2.826 20 30 CFEDMN Cc1noc(C)c1CNCc1ccc(O[C@@H](C)C#N)cc1 ZINC000171563350 623229959 /nfs/dbraw/zinc/22/99/59/623229959.db2.gz DIFRNAROLOYTMI-NSHDSACASA-N 0 1 285.347 2.872 20 30 CFEDMN COc1cccc(NC(=O)C(C#N)C(=O)[C@@H](C)C(C)C)c1 ZINC000172020538 623253736 /nfs/dbraw/zinc/25/37/36/623253736.db2.gz XDTYTJJVBZPISJ-SMDDNHRTSA-N 0 1 288.347 2.635 20 30 CFEDMN C[C@H](c1cccc(C#N)c1)[N@@H+](C)C[C@H](O)c1ccc(F)cn1 ZINC000823618193 623363626 /nfs/dbraw/zinc/36/36/26/623363626.db2.gz PKPNTEHNZNMGBY-PXAZEXFGSA-N 0 1 299.349 2.819 20 30 CFEDMN Cc1csc([C@@H](C#N)C(=O)CCC2CCOCC2)n1 ZINC000173898447 623373387 /nfs/dbraw/zinc/37/33/87/623373387.db2.gz HVYPBIXEYQUKBC-LBPRGKRZSA-N 0 1 278.377 2.835 20 30 CFEDMN CC(C)CN(CCC#N)C[C@H](O)CC1CCCC1 ZINC000232135531 623390006 /nfs/dbraw/zinc/39/00/06/623390006.db2.gz UUMMHYVKQJCGHL-OAHLLOKOSA-N 0 1 252.402 2.799 20 30 CFEDMN CCCC[C@H](ON=C(C)C)C(=O)N(C)Cc1cn[nH]c1C ZINC000824055926 623441273 /nfs/dbraw/zinc/44/12/73/623441273.db2.gz FVNXFRILPDGRJG-AWEZNQCLSA-N 0 1 294.399 2.648 20 30 CFEDMN C=CCN1CCC[C@@H](NC(=O)C(F)=C2CCCC2)C1 ZINC001007089160 623452392 /nfs/dbraw/zinc/45/23/92/623452392.db2.gz AXOUZHLMYPCKIQ-CYBMUJFWSA-N 0 1 266.360 2.551 20 30 CFEDMN C#CCN1CC[C@@]2(NC(=O)c3ccccc3CC)CCC[C@@H]12 ZINC000992158398 623473809 /nfs/dbraw/zinc/47/38/09/623473809.db2.gz IMYPYAPJZSDNMZ-MJGOQNOKSA-N 0 1 296.414 2.609 20 30 CFEDMN C#CCN1CC[C@]2(NC(=O)c3cc(C)cc(C)c3)CCC[C@H]12 ZINC000992443995 623561176 /nfs/dbraw/zinc/56/11/76/623561176.db2.gz ADKIXBWVKGTKLS-PKOBYXMFSA-N 0 1 296.414 2.663 20 30 CFEDMN C=CC[C@@H]1CCCN(C(=O)c2cccc(F)c2O)C1 ZINC000824972437 623597677 /nfs/dbraw/zinc/59/76/77/623597677.db2.gz NTQCTJCGMTYYSB-LLVKDONJSA-N 0 1 263.312 2.960 20 30 CFEDMN CC#CCN1CC[C@@H](NC(=O)C2CCCCCCC2)C1 ZINC001015217817 623622813 /nfs/dbraw/zinc/62/28/13/623622813.db2.gz DYOFLJZBKMNICW-MRXNPFEDSA-N 0 1 276.424 2.561 20 30 CFEDMN C#CCCN1CCN(c2nccc3ccc(C)cc32)CC1 ZINC000825699508 623743049 /nfs/dbraw/zinc/74/30/49/623743049.db2.gz ZHYOFWWXYCYBLS-UHFFFAOYSA-N 0 1 279.387 2.689 20 30 CFEDMN C#C[C@H](N[C@H](C)[C@H]1C[C@@H]1C(=O)OC)c1ccc(Cl)cc1 ZINC000825948949 623774508 /nfs/dbraw/zinc/77/45/08/623774508.db2.gz NFLKOVLTPDPHSR-RABLLNBGSA-N 0 1 291.778 2.802 20 30 CFEDMN Cc1cc(C(=O)Nc2cc(C#N)ccc2O)nn1C(C)C ZINC000826604058 623822436 /nfs/dbraw/zinc/82/24/36/623822436.db2.gz LOYNMLCSCVJNRI-UHFFFAOYSA-N 0 1 284.319 2.602 20 30 CFEDMN C#CCC[N@@H+]1CCC[C@H](NC(=O)c2sccc2C)[C@@H]1C ZINC000992982625 623828841 /nfs/dbraw/zinc/82/88/41/623828841.db2.gz MWYMNBRGKJMYIA-KBPBESRZSA-N 0 1 290.432 2.663 20 30 CFEDMN C#CCCN1CCC[C@H](NC(=O)c2sccc2C)[C@@H]1C ZINC000992982625 623828850 /nfs/dbraw/zinc/82/88/50/623828850.db2.gz MWYMNBRGKJMYIA-KBPBESRZSA-N 0 1 290.432 2.663 20 30 CFEDMN C=CCN1CCC[C@H](NC(=O)c2ccc(C)s2)[C@@H]1C ZINC000992984834 623829211 /nfs/dbraw/zinc/82/92/11/623829211.db2.gz STWRUHWHQGNHTD-STQMWFEESA-N 0 1 278.421 2.825 20 30 CFEDMN CC#CCN1CCC[C@H](NC(=O)c2ccccc2C)[C@@H]1C ZINC000992990243 623832546 /nfs/dbraw/zinc/83/25/46/623832546.db2.gz ZJXBKWLTWAAYTR-RDJZCZTQSA-N 0 1 284.403 2.601 20 30 CFEDMN C=CCN1CCC[C@@H](NC(=O)c2ccsc2)[C@H]1C ZINC000993008162 623837615 /nfs/dbraw/zinc/83/76/15/623837615.db2.gz AFOYVZOOTGRLLA-DGCLKSJQSA-N 0 1 264.394 2.517 20 30 CFEDMN C#CC[N@@H+]1CCC[C@H](NC(=O)CC2CCCCC2)[C@@H]1C ZINC000993006970 623841296 /nfs/dbraw/zinc/84/12/96/623841296.db2.gz VZOUEZSLXAMKCA-HOCLYGCPSA-N 0 1 276.424 2.559 20 30 CFEDMN C#CCN1CCC[C@H](NC(=O)CC2CCCCC2)[C@@H]1C ZINC000993006970 623841302 /nfs/dbraw/zinc/84/13/02/623841302.db2.gz VZOUEZSLXAMKCA-HOCLYGCPSA-N 0 1 276.424 2.559 20 30 CFEDMN C=C(C)CN1CCC[C@@H](NC(=O)c2ccoc2C)[C@@H]1C ZINC000993013351 623843223 /nfs/dbraw/zinc/84/32/23/623843223.db2.gz LYRFGFQAHKGDBQ-SWLSCSKDSA-N 0 1 276.380 2.747 20 30 CFEDMN C=CCN1CCC[C@@H](NC(=O)c2cccc(C)c2)[C@@H]1C ZINC000993060278 623878455 /nfs/dbraw/zinc/87/84/55/623878455.db2.gz WHRDDWOTSXIJBA-GOEBONIOSA-N 0 1 272.392 2.764 20 30 CFEDMN COC(=O)/C=C/c1ccc(CN2CCC[C@@H](CC#N)C2)o1 ZINC000826861296 623895871 /nfs/dbraw/zinc/89/58/71/623895871.db2.gz DLJZJCIKEQDANT-YBJDMEARSA-N 0 1 288.347 2.591 20 30 CFEDMN C[C@@H]1CC[C@@H](C)C(=NNCCN2CCCCC2)C1 ZINC000834943100 623908220 /nfs/dbraw/zinc/90/82/20/623908220.db2.gz PZDNJAABONHIGS-ZIAGYGMSSA-N 0 1 251.418 2.874 20 30 CFEDMN C=CC[C@H]1CCCN(Cc2cnc(Cl)n2C)C1 ZINC000826946141 623912777 /nfs/dbraw/zinc/91/27/77/623912777.db2.gz FCWWULLJNHAISO-NSHDSACASA-N 0 1 253.777 2.862 20 30 CFEDMN COc1ccc(C=NN=c2[nH]c3ccccc3[nH]2)c(O)c1 ZINC000914692866 623920240 /nfs/dbraw/zinc/92/02/40/623920240.db2.gz YSNJKCYVHORGEF-UHFFFAOYSA-N 0 1 282.303 2.723 20 30 CFEDMN N#CCC1CN(Cc2cc(Cl)cc(F)c2O)C1 ZINC000826991281 623920348 /nfs/dbraw/zinc/92/03/48/623920348.db2.gz YQBYWEXXTWVCQC-UHFFFAOYSA-N 0 1 254.692 2.530 20 30 CFEDMN CCCCCCCC(=O)NCCCN1C[C@@H](C)O[C@@H](C)C1 ZINC000914833971 623944086 /nfs/dbraw/zinc/94/40/86/623944086.db2.gz RNFMVDYMCCXLPR-IYBDPMFKSA-N 0 1 298.471 2.962 20 30 CFEDMN CC#CCN1CCC[C@@H](NC(=O)C2CCCCCC2)[C@H]1C ZINC000993140959 623945114 /nfs/dbraw/zinc/94/51/14/623945114.db2.gz NZAIPVSSVOIHQD-NVXWUHKLSA-N 0 1 290.451 2.949 20 30 CFEDMN CC(=NNC(=N)N)c1ccc(-c2cccs2)cc1 ZINC000915049847 623975557 /nfs/dbraw/zinc/97/55/57/623975557.db2.gz ZTPSRSHQJFWGAD-UHFFFAOYSA-N 0 1 258.350 2.622 20 30 CFEDMN CC(=NOC[C@@H]1CCOC1)c1ccc(N(C)C)cc1 ZINC000788035250 623981035 /nfs/dbraw/zinc/98/10/35/623981035.db2.gz YVUCBKDEOLWAMU-CYBMUJFWSA-N 0 1 262.353 2.530 20 30 CFEDMN C=CCN1CCC[C@@H](NC(=O)C2C(C)(C)C2(C)C)[C@H]1C ZINC000993188169 623994432 /nfs/dbraw/zinc/99/44/32/623994432.db2.gz UKSSIHGZTOXJQZ-CHWSQXEVSA-N 0 1 278.440 2.824 20 30 CFEDMN CC#CCN1CCC[C@H](NC(=O)c2cscc2C)[C@@H]1C ZINC000993197557 624015962 /nfs/dbraw/zinc/01/59/62/624015962.db2.gz DIEKBIRXNXBHPS-ZFWWWQNUSA-N 0 1 290.432 2.663 20 30 CFEDMN N#CCC[C@H](NC(=O)C(F)(F)F)c1ccccc1 ZINC000153666313 624086336 /nfs/dbraw/zinc/08/63/36/624086336.db2.gz CNWWAPZDKLAMNQ-JTQLQIEISA-N 0 1 256.227 2.710 20 30 CFEDMN C=CCN1CCC[C@@H](NC(=O)C2CC(C)(C)C2)[C@@H]1C ZINC000993327209 624100609 /nfs/dbraw/zinc/10/06/09/624100609.db2.gz KUCIPHVYOBJTQV-GXTWGEPZSA-N 0 1 264.413 2.578 20 30 CFEDMN C#CCCN(CCOC)Cc1cc(Cl)cs1 ZINC000827826389 624103934 /nfs/dbraw/zinc/10/39/34/624103934.db2.gz DTRLEGRJGQJXHV-UHFFFAOYSA-N 0 1 257.786 2.873 20 30 CFEDMN C#CCOc1ccccc1CN[C@H](c1ccccc1)[C@@H](C)O ZINC000827855832 624111826 /nfs/dbraw/zinc/11/18/26/624111826.db2.gz JGBMKDHCECITGA-BEFAXECRSA-N 0 1 295.382 2.910 20 30 CFEDMN C#CCOc1ccccc1CN[C@@H](c1ccccc1)[C@H](C)O ZINC000827855834 624112005 /nfs/dbraw/zinc/11/20/05/624112005.db2.gz JGBMKDHCECITGA-HNAYVOBHSA-N 0 1 295.382 2.910 20 30 CFEDMN C=CCN1CCC[C@H](NC(=O)c2cc3occc3[nH]2)[C@H]1C ZINC000993379535 624127117 /nfs/dbraw/zinc/12/71/17/624127117.db2.gz KLAMUAQXRDQWCR-NEPJUHHUSA-N 0 1 287.363 2.530 20 30 CFEDMN CN(Cc1ccncc1C#N)[C@H]1CCc2ccccc2C1 ZINC000827925141 624128708 /nfs/dbraw/zinc/12/87/08/624128708.db2.gz PVJOJSCVUHHFHY-SFHVURJKSA-N 0 1 277.371 2.943 20 30 CFEDMN C=C(Cl)CN[C@@H]1CN(C(=O)[C@H]2CC=CCC2)CC1(C)C ZINC000995452253 625702519 /nfs/dbraw/zinc/70/25/19/625702519.db2.gz ZSOULSZUOPMQGA-UONOGXRCSA-N 0 1 296.842 2.922 20 30 CFEDMN C=CCN1CCC[C@H](NC(=O)c2cccnc2C2CC2)[C@H]1C ZINC000993528856 624151202 /nfs/dbraw/zinc/15/12/02/624151202.db2.gz MUZXKFWWVGQZFX-CJNGLKHVSA-N 0 1 299.418 2.728 20 30 CFEDMN C=CCN1CCC[C@H](NC(=O)c2occ3c2CCC3)[C@H]1C ZINC000993638454 624154815 /nfs/dbraw/zinc/15/48/15/624154815.db2.gz FKTOBZKACZOVCA-DOMZBBRYSA-N 0 1 288.391 2.537 20 30 CFEDMN C=CCN1CCC[C@H](NC(=O)c2occ3c2CCC3)[C@@H]1C ZINC000993638468 624155209 /nfs/dbraw/zinc/15/52/09/624155209.db2.gz FKTOBZKACZOVCA-WFASDCNBSA-N 0 1 288.391 2.537 20 30 CFEDMN C=CCN1CCC[C@@H](NC(=O)C2(C3CC3)CCC2)[C@@H]1C ZINC000993655930 624156928 /nfs/dbraw/zinc/15/69/28/624156928.db2.gz IPUSLPFLPMHUJH-DZGCQCFKSA-N 0 1 276.424 2.722 20 30 CFEDMN C=CCN1CCC[C@H](NC(=O)c2cc(C(C)C)on2)[C@H]1C ZINC000993670361 624158181 /nfs/dbraw/zinc/15/81/81/624158181.db2.gz SLKOFCYILOKPJM-OLZOCXBDSA-N 0 1 291.395 2.567 20 30 CFEDMN CC#CCN1CCC[C@H](NC(=O)Cc2cccc(C)c2)[C@@H]1C ZINC000993715110 624160833 /nfs/dbraw/zinc/16/08/33/624160833.db2.gz MMFADPTWYYNWDA-WMZOPIPTSA-N 0 1 298.430 2.530 20 30 CFEDMN C=CCN1CCC[C@@H](NC(=O)c2ccoc2C2CC2)[C@@H]1C ZINC000993702614 624161742 /nfs/dbraw/zinc/16/17/42/624161742.db2.gz JABHOIOXZDTOQQ-SWLSCSKDSA-N 0 1 288.391 2.926 20 30 CFEDMN C=C(C)CN1CCC[C@H](NC(=O)c2cc(C)co2)[C@@H]1C ZINC000993696683 624162145 /nfs/dbraw/zinc/16/21/45/624162145.db2.gz UJNYKAIBDUJSLW-KBPBESRZSA-N 0 1 276.380 2.747 20 30 CFEDMN C=CCN1CCC[C@@H](NC(=O)c2occc2Cl)[C@@H]1C ZINC000993769588 624167075 /nfs/dbraw/zinc/16/70/75/624167075.db2.gz DGSBODBIDGSZIM-CMPLNLGQSA-N 0 1 282.771 2.702 20 30 CFEDMN Cc1cc(N=NC(C)c2cccc([N+](=O)[O-])c2)nc(C)n1 ZINC000915967928 624196022 /nfs/dbraw/zinc/19/60/22/624196022.db2.gz PWHIGXZKJUVPJC-UHFFFAOYSA-N 0 1 285.307 2.838 20 30 CFEDMN c1ccc2c(c1)CCCC2=NNCCN1CCCCC1 ZINC000915973191 624198792 /nfs/dbraw/zinc/19/87/92/624198792.db2.gz CPNHYGYOXGALEV-UHFFFAOYSA-N 0 1 271.408 2.803 20 30 CFEDMN C=CCN(CC=C)C(=O)CN1Cc2ccccc2[C@H](C)C1 ZINC000916151192 624227010 /nfs/dbraw/zinc/22/70/10/624227010.db2.gz BQXJRJTUENUVET-OAHLLOKOSA-N 0 1 284.403 2.806 20 30 CFEDMN CCC(C=Nn1c(=S)[nH]nc1C(F)(F)F)CC ZINC000916305081 624238295 /nfs/dbraw/zinc/23/82/95/624238295.db2.gz KYTCSYQZHGBOPF-UHFFFAOYSA-N 0 1 266.292 2.856 20 30 CFEDMN CC(=O)c1ccc(C#N)cc1NCc1n[nH]c(C(C)C)n1 ZINC000828511778 624259280 /nfs/dbraw/zinc/25/92/80/624259280.db2.gz UNGRJVPWFRLFMK-UHFFFAOYSA-N 0 1 283.335 2.614 20 30 CFEDMN CC(C)[C@@H](NCc1ccncc1C#N)[C@@H](O)c1ccccc1 ZINC000828515912 624260202 /nfs/dbraw/zinc/26/02/02/624260202.db2.gz LSWUBGZRBSBTDP-MSOLQXFVSA-N 0 1 295.386 2.801 20 30 CFEDMN C#CCN1CCC[C@H](NC(=O)c2ccc(Cl)cc2)[C@@H]1C ZINC000994267515 624267474 /nfs/dbraw/zinc/26/74/74/624267474.db2.gz XJQOJSPOANTNIY-WFASDCNBSA-N 0 1 290.794 2.556 20 30 CFEDMN C=CCN1CCC[C@H](NC(=O)c2ccc(C)cc2)[C@@H]1C ZINC000994295248 624274437 /nfs/dbraw/zinc/27/44/37/624274437.db2.gz ISVVWXVSBGPXRC-HOCLYGCPSA-N 0 1 272.392 2.764 20 30 CFEDMN C=CCN1CCC[C@@H](NC(=O)c2cc(F)cc(F)c2)[C@@H]1C ZINC000994343321 624277029 /nfs/dbraw/zinc/27/70/29/624277029.db2.gz CHCUUAKGDSUQQG-XHDPSFHLSA-N 0 1 294.345 2.734 20 30 CFEDMN CC#CC[N@H+]1CCC[C@H](NC(=O)c2ccc(C)c(C)c2)[C@@H]1C ZINC000994357592 624278481 /nfs/dbraw/zinc/27/84/81/624278481.db2.gz XSSBBISMSFUNLG-WMZOPIPTSA-N 0 1 298.430 2.909 20 30 CFEDMN CC#CCN1CCC[C@H](NC(=O)c2ccc(C)c(C)c2)[C@@H]1C ZINC000994357592 624278482 /nfs/dbraw/zinc/27/84/82/624278482.db2.gz XSSBBISMSFUNLG-WMZOPIPTSA-N 0 1 298.430 2.909 20 30 CFEDMN C#CC[N@@H+]1CCC[C@H](NC(=O)C(C)(C)c2ccccc2)[C@@H]1C ZINC000994365130 624278502 /nfs/dbraw/zinc/27/85/02/624278502.db2.gz BXQFSUOSJCLIOA-RDJZCZTQSA-N 0 1 298.430 2.567 20 30 CFEDMN C#CCN1CCC[C@H](NC(=O)C(C)(C)c2ccccc2)[C@@H]1C ZINC000994365130 624278503 /nfs/dbraw/zinc/27/85/03/624278503.db2.gz BXQFSUOSJCLIOA-RDJZCZTQSA-N 0 1 298.430 2.567 20 30 CFEDMN CC(C)C(=O)C(C#N)=C(O)C1(c2ccccc2)CC1 ZINC000916878864 624290200 /nfs/dbraw/zinc/29/02/00/624290200.db2.gz YFOUXBBSTKIIAX-ZDUSSCGKSA-N 0 1 255.317 2.652 20 30 CFEDMN CC(F)(F)CCC(=O)C(C#N)C(=O)NC1CCCCC1 ZINC000916895111 624291072 /nfs/dbraw/zinc/29/10/72/624291072.db2.gz DUVDEDFKJPYXHA-LLVKDONJSA-N 0 1 286.322 2.580 20 30 CFEDMN CCOc1ccccc1NC(=O)C(C#N)C(=O)CC1CC1 ZINC000916925944 624291877 /nfs/dbraw/zinc/29/18/77/624291877.db2.gz VPABNOAEQLKQCG-GFCCVEGCSA-N 0 1 286.331 2.533 20 30 CFEDMN CC#CCN1CCC[C@H](NC(=O)C2CCC=CCC2)[C@H]1C ZINC000994452290 624302405 /nfs/dbraw/zinc/30/24/05/624302405.db2.gz PIEUFZROJDACEH-WBVHZDCISA-N 0 1 288.435 2.725 20 30 CFEDMN C#CCN1CCC[C@H](NC(=O)C2CCC(C)(C)CC2)[C@@H]1C ZINC000994484508 624312537 /nfs/dbraw/zinc/31/25/37/624312537.db2.gz IBJCVDGRARGLAF-HOCLYGCPSA-N 0 1 290.451 2.805 20 30 CFEDMN C=CCN(CC(=O)N[C@@H](C)Cc1ccccc1C)C(C)C ZINC000917167797 624319991 /nfs/dbraw/zinc/31/99/91/624319991.db2.gz ATDKFMLKUKWAGR-INIZCTEOSA-N 0 1 288.435 2.939 20 30 CFEDMN C=CCN(CC(=O)NC12CC3CC(CC(C3)C1)C2)C(C)C ZINC000917167125 624320413 /nfs/dbraw/zinc/32/04/13/624320413.db2.gz UXONWQVEAQAYAS-UHFFFAOYSA-N 0 1 290.451 2.968 20 30 CFEDMN C=CCN1C(=O)N=NC1SC[C@H]1C[C@@H]2[C@H](C1)C2(F)F ZINC000917218070 624324239 /nfs/dbraw/zinc/32/42/39/624324239.db2.gz RQGVIRNQWHSYTA-AYMMMOKOSA-N 0 1 287.335 2.553 20 30 CFEDMN CC(C)Oc1ccccc1C=NNc1ncnc2nc[nH]c21 ZINC000917555000 624359629 /nfs/dbraw/zinc/35/96/29/624359629.db2.gz NMYZEYGQDANSFZ-UHFFFAOYSA-N 0 1 296.334 2.586 20 30 CFEDMN CCCCCCCCN1CCC[C@H]1c1nc(=N)n(C)[nH]1 ZINC000829459123 624437265 /nfs/dbraw/zinc/43/72/65/624437265.db2.gz LHCZOFZEGWTXST-ZDUSSCGKSA-N 0 1 279.432 2.725 20 30 CFEDMN CC(=NNc1ccccc1F)c1ccc(-n2cnnn2)cc1 ZINC000918710868 624481402 /nfs/dbraw/zinc/48/14/02/624481402.db2.gz HSYJWRUPMAVCOL-UHFFFAOYSA-N 0 1 296.309 2.638 20 30 CFEDMN C#CC[C@@H]1CCCN(Cc2nc(-c3ccccc3)no2)C1 ZINC000829769377 624529191 /nfs/dbraw/zinc/52/91/91/624529191.db2.gz UBFJTOASEYEFAX-CQSZACIVSA-N 0 1 281.359 2.972 20 30 CFEDMN C#CC[C@@H]1CCCN(CC(=O)Nc2ccc(C)c(C)c2)C1 ZINC000829789665 624539275 /nfs/dbraw/zinc/53/92/75/624539275.db2.gz YUEPRNPIZCFLOV-MRXNPFEDSA-N 0 1 284.403 2.977 20 30 CFEDMN C#CC[C@@H]1CCCN(Cc2cnnn2-c2ccccc2)C1 ZINC000829816077 624556413 /nfs/dbraw/zinc/55/64/13/624556413.db2.gz YVPNFMDKTXZDGB-OAHLLOKOSA-N 0 1 280.375 2.503 20 30 CFEDMN N#CC[C@]1(O)CCN([C@@H]2CCc3cc(Cl)ccc32)C1 ZINC000829998024 624597362 /nfs/dbraw/zinc/59/73/62/624597362.db2.gz GOCJNFUVYPFFHE-CABCVRRESA-N 0 1 276.767 2.678 20 30 CFEDMN C#CC1CCN([C@H](C)c2nc(-c3cccnc3)no2)CC1 ZINC000830316298 624705863 /nfs/dbraw/zinc/70/58/63/624705863.db2.gz MJYSXITZYIIWJZ-GFCCVEGCSA-N 0 1 282.347 2.538 20 30 CFEDMN C#CC1CCN([C@@H](C)c2nc(-c3cccnc3)no2)CC1 ZINC000830316299 624706336 /nfs/dbraw/zinc/70/63/36/624706336.db2.gz MJYSXITZYIIWJZ-LBPRGKRZSA-N 0 1 282.347 2.538 20 30 CFEDMN Cc1cccc2c1OCCC2=NNc1ccccn1 ZINC000920364883 624714427 /nfs/dbraw/zinc/71/44/27/624714427.db2.gz JXGSMIDUSMMNRB-UHFFFAOYSA-N 0 1 253.305 2.989 20 30 CFEDMN Cc1cc(N=NCc2csc(C3CC3)n2)nc(C)n1 ZINC000920373790 624716274 /nfs/dbraw/zinc/71/62/74/624716274.db2.gz KCSLWGZZVOCGQC-UHFFFAOYSA-N 0 1 273.365 2.873 20 30 CFEDMN C[C@H](NN=Cc1cnc(N2CCCC2)nc1)c1ccccc1 ZINC000920383916 624717139 /nfs/dbraw/zinc/71/71/39/624717139.db2.gz ZYRDTSAOCBGIQH-AWEZNQCLSA-N 0 1 295.390 2.762 20 30 CFEDMN Cc1nn(C)c(C)c1CNCc1ccc(O[C@H](C)C#N)cc1 ZINC000237576059 624964746 /nfs/dbraw/zinc/96/47/46/624964746.db2.gz NDOYMTUIXNCNTA-GFCCVEGCSA-N 0 1 298.390 2.618 20 30 CFEDMN COC(=O)C1(C#N)CCN([C@@H](C)c2ccccc2)CC1 ZINC000831687611 625096806 /nfs/dbraw/zinc/09/68/06/625096806.db2.gz TWFVRPQXRIPBPJ-ZDUSSCGKSA-N 0 1 272.348 2.526 20 30 CFEDMN CC(C)c1cc([C@H]2CCCN(C(=O)[C@H](C)CC#N)C2)n[nH]1 ZINC000831879687 625163766 /nfs/dbraw/zinc/16/37/66/625163766.db2.gz NDHGTHDJFOMCJH-OLZOCXBDSA-N 0 1 288.395 2.789 20 30 CFEDMN C=C(Cl)CN[C@@H]1CN(C(=O)c2cc[nH]c2C)CC1(C)C ZINC000995631186 625746722 /nfs/dbraw/zinc/74/67/22/625746722.db2.gz SIKCYUBLHNGGOJ-CYBMUJFWSA-N 0 1 295.814 2.516 20 30 CFEDMN C=C(Cl)CN[C@H]1CN(C(=O)C2=CCCC2)CC1(C)C ZINC000995678154 625784674 /nfs/dbraw/zinc/78/46/74/625784674.db2.gz RHXBOPQMGKEGHD-ZDUSSCGKSA-N 0 1 282.815 2.676 20 30 CFEDMN C=C(Cl)CN[C@H]1CN(C(=O)c2cc(C)co2)CC1(C)C ZINC000996172815 625881944 /nfs/dbraw/zinc/88/19/44/625881944.db2.gz ATIMIYORHUZJDO-ZDUSSCGKSA-N 0 1 296.798 2.781 20 30 CFEDMN C=C(Cl)CN[C@H]1CN(C(=O)[C@]2(C)C=CCC2)CC1(C)C ZINC000996164710 625882007 /nfs/dbraw/zinc/88/20/07/625882007.db2.gz XJXPVCFMYMRIAF-XJKSGUPXSA-N 0 1 296.842 2.922 20 30 CFEDMN C=C(Cl)CN[C@H]1CN(C(=O)[C@H]2CC23CCC3)CC1(C)C ZINC000996362662 625898524 /nfs/dbraw/zinc/89/85/24/625898524.db2.gz ZGIHRAPGYIIITP-OLZOCXBDSA-N 0 1 296.842 2.756 20 30 CFEDMN C=C(Cl)CN[C@@H]1CN(C(=O)c2c[nH]cc2C)CC1(C)C ZINC000996602507 625909469 /nfs/dbraw/zinc/90/94/69/625909469.db2.gz KFNMKZFHDIDEGZ-CYBMUJFWSA-N 0 1 295.814 2.516 20 30 CFEDMN C#CCN(CC#CC)C[C@H]1CCOc2ccccc21 ZINC000769447071 625924073 /nfs/dbraw/zinc/92/40/73/625924073.db2.gz FTYXEXHDWJEANI-OAHLLOKOSA-N 0 1 253.345 2.511 20 30 CFEDMN Cc1ccc([N+](=O)[O-])cc1N=NC1C[C@H](C)n2ccnc21 ZINC000834947461 625930916 /nfs/dbraw/zinc/93/09/16/625930916.db2.gz BERNAWXVHICHEG-JTQLQIEISA-N 0 1 285.307 2.881 20 30 CFEDMN Nc1ccc2c(c1)CCC2=NNCCCOc1ccccc1 ZINC000834957044 625933116 /nfs/dbraw/zinc/93/31/16/625933116.db2.gz UWAJIUHYCAQNSY-UHFFFAOYSA-N 0 1 295.386 2.978 20 30 CFEDMN CCn1ccnc1C(C)N=Nc1ccc(Cl)nc1 ZINC000834960483 625933397 /nfs/dbraw/zinc/93/33/97/625933397.db2.gz QVRLEFYIVIPXNE-UHFFFAOYSA-N 0 1 263.732 2.788 20 30 CFEDMN COc1cc(F)ccc1N=NC1C[C@@H](C)n2ccnc21 ZINC000834978557 625942784 /nfs/dbraw/zinc/94/27/84/625942784.db2.gz VOYSUEWBRCAVJE-SECBINFHSA-N 0 1 274.299 2.812 20 30 CFEDMN Cc1cc(C#N)cc(C)c1CNCc1cccnc1N(C)C ZINC000921526219 625973525 /nfs/dbraw/zinc/97/35/25/625973525.db2.gz CAGRZGQHYFBLEL-UHFFFAOYSA-N 0 1 294.402 2.926 20 30 CFEDMN C=CCC[C@@H](NC(=O)NC[C@H]1CCN1C)c1ccccc1 ZINC000921562621 625989452 /nfs/dbraw/zinc/98/94/52/625989452.db2.gz PYAPVNRLZAIRQC-HZPDHXFCSA-N 0 1 287.407 2.697 20 30 CFEDMN C=C1CCC(C(=O)N[C@@H](C)C2CCN(CCF)CC2)CC1 ZINC000997740325 626014716 /nfs/dbraw/zinc/01/47/16/626014716.db2.gz WZIDSMVRZDDHDC-AWEZNQCLSA-N 0 1 296.430 2.919 20 30 CFEDMN C=CCCC[C@@H](NC(=O)Cc1n[nH]c(C)n1)c1ccccc1 ZINC000921644122 626027510 /nfs/dbraw/zinc/02/75/10/626027510.db2.gz HBKRHVMYSTZEQU-OAHLLOKOSA-N 0 1 298.390 2.869 20 30 CFEDMN C=CCCC[C@@H](NC(=O)Cc1nnc[nH]1)c1ccccc1 ZINC000921645048 626036774 /nfs/dbraw/zinc/03/67/74/626036774.db2.gz LXZMSFCYNDOTBR-CQSZACIVSA-N 0 1 284.363 2.561 20 30 CFEDMN C=CCN1CC[C@@H](NC(=O)C[C@H]2CCc3ccccc3C2)C1 ZINC001016101096 626040639 /nfs/dbraw/zinc/04/06/39/626040639.db2.gz NNKHRYVYWMMLMG-MAUKXSAKSA-N 0 1 298.430 2.558 20 30 CFEDMN C=C(Cl)CN[C@@H]1CCCN(C(=O)c2cccc(C)c2)C1 ZINC000998441219 626051313 /nfs/dbraw/zinc/05/13/13/626051313.db2.gz RTUWAOHBPQBTCE-OAHLLOKOSA-N 0 1 292.810 2.942 20 30 CFEDMN C=CC[N@H+]1CC[C@@H](NC(=O)c2cccc3ccccc32)C1 ZINC001016148808 626073739 /nfs/dbraw/zinc/07/37/39/626073739.db2.gz DTXCPZZJADZPRT-OAHLLOKOSA-N 0 1 280.371 2.830 20 30 CFEDMN C=CCN1CC[C@@H](NC(=O)c2cccc3ccccc32)C1 ZINC001016148808 626073741 /nfs/dbraw/zinc/07/37/41/626073741.db2.gz DTXCPZZJADZPRT-OAHLLOKOSA-N 0 1 280.371 2.830 20 30 CFEDMN C=C(Cl)CN[C@H]1CCCN(C(=O)c2[nH]c(C)cc2C)C1 ZINC000999522346 626075602 /nfs/dbraw/zinc/07/56/02/626075602.db2.gz SZISMECQKCWDJY-ZDUSSCGKSA-N 0 1 295.814 2.578 20 30 CFEDMN C=C(Cl)CN[C@H]1CCCN(C(=O)[C@H](C)C(F)(F)F)C1 ZINC000999892941 626082290 /nfs/dbraw/zinc/08/22/90/626082290.db2.gz FZKNYKACKKCQRC-UWVGGRQHSA-N 0 1 298.736 2.518 20 30 CFEDMN C=C(Cl)CN[C@H]1CCCN(C(=O)c2cocc2C)C1 ZINC000999930203 626084070 /nfs/dbraw/zinc/08/40/70/626084070.db2.gz QGCODOIMYPPPQN-LBPRGKRZSA-N 0 1 282.771 2.535 20 30 CFEDMN C=CCOc1ccccc1CNCc1c2c(nn1C)CCC2 ZINC000921724617 626099214 /nfs/dbraw/zinc/09/92/14/626099214.db2.gz KNLQCZSJCQDENK-UHFFFAOYSA-N 0 1 297.402 2.763 20 30 CFEDMN C#CCN1CC=C(CNC(=O)c2ccc(C(C)C)cc2)CC1 ZINC001001393612 626156052 /nfs/dbraw/zinc/15/60/52/626156052.db2.gz SULVZZDGORIGCQ-UHFFFAOYSA-N 0 1 296.414 2.805 20 30 CFEDMN C#CC[N@@H+]1CC=C(CNC(=O)C2CCC(C)(C)CC2)CC1 ZINC001001485882 626159612 /nfs/dbraw/zinc/15/96/12/626159612.db2.gz FPUWZHPUAXPSMP-UHFFFAOYSA-N 0 1 288.435 2.584 20 30 CFEDMN C#CCN1CC=C(CNC(=O)C2CCC(C)(C)CC2)CC1 ZINC001001485882 626159615 /nfs/dbraw/zinc/15/96/15/626159615.db2.gz FPUWZHPUAXPSMP-UHFFFAOYSA-N 0 1 288.435 2.584 20 30 CFEDMN C=CC[N@@H+]1CC=C(CNC(=O)c2cccc3c2CCC3)CC1 ZINC001001486939 626159757 /nfs/dbraw/zinc/15/97/57/626159757.db2.gz ORDRQJDQUVFHNS-UHFFFAOYSA-N 0 1 296.414 2.723 20 30 CFEDMN CC#CCN1CCC(NC(=O)C2CCCCCC2)CC1 ZINC001002453495 626178646 /nfs/dbraw/zinc/17/86/46/626178646.db2.gz WHGMJDNESBNOHU-UHFFFAOYSA-N 0 1 276.424 2.561 20 30 CFEDMN C#CC[C@H](NCc1c2c(nn1C)CCC2)c1ccccc1 ZINC000921935185 626180197 /nfs/dbraw/zinc/18/01/97/626180197.db2.gz JGSQRSKDNMCEGY-INIZCTEOSA-N 0 1 279.387 2.763 20 30 CFEDMN CN1Cc2ccccc2[C@H](NCc2csc(C#N)c2)C1 ZINC000921937179 626180813 /nfs/dbraw/zinc/18/08/13/626180813.db2.gz YLIHIUAVPBGBCY-MRXNPFEDSA-N 0 1 283.400 2.896 20 30 CFEDMN C=CCCOCCNCc1c(Cl)n[nH]c1C1CC1 ZINC000921938282 626180999 /nfs/dbraw/zinc/18/09/99/626180999.db2.gz JUGNEEQHBSZSPV-UHFFFAOYSA-N 0 1 269.776 2.623 20 30 CFEDMN C=CCN(CC=C)C[C@@](C)(O)C(F)(F)C(F)(F)F ZINC000929259541 626193275 /nfs/dbraw/zinc/19/32/75/626193275.db2.gz GIKQCYZCBSNKJI-SECBINFHSA-N 0 1 273.245 2.609 20 30 CFEDMN C=CCN(Cc1ccccc1)C[C@H]1COC(C)(C)O1 ZINC000851713853 634484235 /nfs/dbraw/zinc/48/42/35/634484235.db2.gz BWPVFQXCGXETBV-HNNXBMFYSA-N 0 1 261.365 2.826 20 30 CFEDMN CC#CCN1CCC(NC(=O)C2CCC3(CC3)CC2)CC1 ZINC001003318598 626225842 /nfs/dbraw/zinc/22/58/42/626225842.db2.gz MKDURPAUGQGZOP-UHFFFAOYSA-N 0 1 288.435 2.561 20 30 CFEDMN C=C(CC)CNCc1csc(-c2ccn(C)n2)n1 ZINC000922168620 626229153 /nfs/dbraw/zinc/22/91/53/626229153.db2.gz TXOIIGGFJHUDHQ-UHFFFAOYSA-N 0 1 262.382 2.599 20 30 CFEDMN CC(C)(CC#N)CNCc1c(Cl)n[nH]c1C1CC1 ZINC000922176681 626231301 /nfs/dbraw/zinc/23/13/01/626231301.db2.gz AJBQTBHWHKMJDW-UHFFFAOYSA-N 0 1 266.776 2.970 20 30 CFEDMN C=C[C@@H]1OCC[C@H]1CNCc1nc(C(C)(C)C)co1 ZINC000922197885 626238546 /nfs/dbraw/zinc/23/85/46/626238546.db2.gz ZKZUNERZLFJBQB-RYUDHWBXSA-N 0 1 264.369 2.653 20 30 CFEDMN C=C(C)CN1CC[C@H](NC(=O)c2c(C)cccc2F)C1 ZINC001016409400 626240610 /nfs/dbraw/zinc/24/06/10/626240610.db2.gz VWBNRIPPKOUGBK-ZDUSSCGKSA-N 0 1 276.355 2.514 20 30 CFEDMN CC#CC[C@@H](CO)NCc1cccc(C)c1Br ZINC000922217964 626243235 /nfs/dbraw/zinc/24/32/35/626243235.db2.gz XYCHRJMFIKSZDK-ZDUSSCGKSA-N 0 1 296.208 2.621 20 30 CFEDMN N#Cc1cc(CN[C@@H]2CCc3ccccc3NC2=O)cs1 ZINC000922225704 626245435 /nfs/dbraw/zinc/24/54/35/626245435.db2.gz TYRGCVYNWJOAHC-OAHLLOKOSA-N 0 1 297.383 2.663 20 30 CFEDMN C=Cc1ccc(C(=O)NC2CCN(CC#CC)CC2)cc1 ZINC001003673648 626247466 /nfs/dbraw/zinc/24/74/66/626247466.db2.gz LCIDOTIVWVDSLB-UHFFFAOYSA-N 0 1 282.387 2.547 20 30 CFEDMN CC#CCN1CCC(NC(=O)[C@@H](C)c2cccc(C)c2)CC1 ZINC001003712759 626249713 /nfs/dbraw/zinc/24/97/13/626249713.db2.gz XORODYJPOJWNFH-INIZCTEOSA-N 0 1 298.430 2.702 20 30 CFEDMN CCN(C(=O)CNCc1cc(C#N)cs1)c1ccccc1 ZINC000922476419 626294988 /nfs/dbraw/zinc/29/49/88/626294988.db2.gz AGEAZDYTSIGPEA-UHFFFAOYSA-N 0 1 299.399 2.762 20 30 CFEDMN N#Cc1ccc(CNC[C@H]2CCC[C@H](C(F)(F)F)O2)o1 ZINC000922696983 626344241 /nfs/dbraw/zinc/34/42/41/626344241.db2.gz MDSOKBSEJBFYAJ-ZYHUDNBSSA-N 0 1 288.269 2.741 20 30 CFEDMN C[C@@H]1Cc2cc(CNCc3ccc(C#N)o3)ccc2O1 ZINC000922702544 626348726 /nfs/dbraw/zinc/34/87/26/626348726.db2.gz NRPBJKCCIOMJTB-LLVKDONJSA-N 0 1 268.316 2.764 20 30 CFEDMN N#CC(C(=O)[C@H]1COc2ccccc2C1)c1ccccn1 ZINC000073971118 626401443 /nfs/dbraw/zinc/40/14/43/626401443.db2.gz JZRPXLTZXJFVTB-ZIAGYGMSSA-N 0 1 278.311 2.509 20 30 CFEDMN C#CCN1CCC(N(C)C(=O)[C@]2(C)CCC[C@@H]2CC)CC1 ZINC001005584923 626417979 /nfs/dbraw/zinc/41/79/79/626417979.db2.gz XPQCCOQGLWPYON-MAUKXSAKSA-N 0 1 290.451 2.759 20 30 CFEDMN C#CCN1CCC(N(C)C(=O)[C@]2(C)CCC[C@H]2CC)CC1 ZINC001005584806 626418024 /nfs/dbraw/zinc/41/80/24/626418024.db2.gz XPQCCOQGLWPYON-CRAIPNDOSA-N 0 1 290.451 2.759 20 30 CFEDMN CC#CCN1CCC(N(C)C(=O)[C@H]2CCCC2(C)C)CC1 ZINC001005847187 626435302 /nfs/dbraw/zinc/43/53/02/626435302.db2.gz HHURPFMVTUWLPW-MRXNPFEDSA-N 0 1 290.451 2.759 20 30 CFEDMN CC#CCN1CCC(N(C)C(=O)[C@H]2CCC[C@H](C)C2)CC1 ZINC001005904021 626448257 /nfs/dbraw/zinc/44/82/57/626448257.db2.gz AQKQHKSRAFWSGB-HOTGVXAUSA-N 0 1 290.451 2.759 20 30 CFEDMN CC#CCN1CCC(N(C)C(=O)[C@]2(C)CCC[C@@H]2C)CC1 ZINC001005952089 626453603 /nfs/dbraw/zinc/45/36/03/626453603.db2.gz ZUXJBMBPTXLXNW-MAUKXSAKSA-N 0 1 290.451 2.759 20 30 CFEDMN CC[C@@]1(C(=O)[O-])CCC[N@@H+](CCc2ccc(C#N)cc2)C1 ZINC000923470416 626474929 /nfs/dbraw/zinc/47/49/29/626474929.db2.gz PCKFBXGZNGVGHA-QGZVFWFLSA-N 0 1 286.375 2.678 20 30 CFEDMN C=CCN1CC[C@H](NC(=O)[C@]2(C)CCc3ccccc3C2)C1 ZINC001016447518 626482666 /nfs/dbraw/zinc/48/26/66/626482666.db2.gz NITUKANVZRNLQV-PKOBYXMFSA-N 0 1 298.430 2.558 20 30 CFEDMN C=CCC1(C(=O)OCc2n[nH]c(C)n2)CCCCC1 ZINC000838154304 626487302 /nfs/dbraw/zinc/48/73/02/626487302.db2.gz SFTBWOIVBWRFNJ-UHFFFAOYSA-N 0 1 263.341 2.683 20 30 CFEDMN CCC(C)(C)OCC(=O)C(C#N)c1nc(C)cs1 ZINC000838783036 626506233 /nfs/dbraw/zinc/50/62/33/626506233.db2.gz DCOJEVGYRSGOLA-JTQLQIEISA-N 0 1 266.366 2.833 20 30 CFEDMN Cc1cc(C(C#N)C(=O)[C@H](C)C2CCC2)nc(C)n1 ZINC000838785425 626506553 /nfs/dbraw/zinc/50/65/53/626506553.db2.gz OIDXGSHEZUFHRV-MFKMUULPSA-N 0 1 257.337 2.706 20 30 CFEDMN C[C@H](C(=O)C(C#N)C(=O)Nc1ccccc1)C1CCC1 ZINC000838785888 626506684 /nfs/dbraw/zinc/50/66/84/626506684.db2.gz CABUUMZWMLWQCT-SMDDNHRTSA-N 0 1 270.332 2.770 20 30 CFEDMN CC(C)CCCCC(=O)C(C#N)C(=O)NC1CCCC1 ZINC000838791548 626507066 /nfs/dbraw/zinc/50/70/66/626507066.db2.gz SBSPTEFECNHAFC-AWEZNQCLSA-N 0 1 278.396 2.970 20 30 CFEDMN C#CC(C)(C)N(C)Cc1cc(=O)[nH]c(-c2ccccc2)n1 ZINC000838969741 626517544 /nfs/dbraw/zinc/51/75/44/626517544.db2.gz AKHCRNOJAPKYLJ-UHFFFAOYSA-N 0 1 281.359 2.693 20 30 CFEDMN N#C[C@@H]1CCC[C@H](OC(=O)c2ccc3cncn3c2)C1 ZINC000839064480 626522597 /nfs/dbraw/zinc/52/25/97/626522597.db2.gz WXIOWNAAUNAJDG-RISCZKNCSA-N 0 1 269.304 2.573 20 30 CFEDMN CN(CCC#N)c1ccc(CN2CC(C(F)F)C2)cc1 ZINC000839138322 626528297 /nfs/dbraw/zinc/52/82/97/626528297.db2.gz OTJPTUIDSIZGKR-UHFFFAOYSA-N 0 1 279.334 2.733 20 30 CFEDMN COCCC1(C)CN(Cc2ccc(O[C@H](C)C#N)cc2)C1 ZINC000839142850 626528775 /nfs/dbraw/zinc/52/87/75/626528775.db2.gz KALBUCPCUKECQH-CQSZACIVSA-N 0 1 288.391 2.836 20 30 CFEDMN C#C[C@@H](NCc1nc2cc(Cl)ccc2n1C)C(C)C ZINC000809685371 626548095 /nfs/dbraw/zinc/54/80/95/626548095.db2.gz QAJBJNAOFLACAV-GFCCVEGCSA-N 0 1 275.783 2.974 20 30 CFEDMN C=CCONC(=O)[C@@H]1CC(C)(C)Oc2ccccc21 ZINC000839789158 626555503 /nfs/dbraw/zinc/55/55/03/626555503.db2.gz WEFWIUGHTNAJQN-GFCCVEGCSA-N 0 1 261.321 2.565 20 30 CFEDMN C[C@@H]1CC(N=Nc2cnccn2)CN1Cc1ccccc1 ZINC000757586650 626555994 /nfs/dbraw/zinc/55/59/94/626555994.db2.gz PHJHEFSUQMPTDJ-CYBMUJFWSA-N 0 1 281.363 2.539 20 30 CFEDMN C#CCN1CCC(C(=O)N2CC(C)(C)c3ccccc32)CC1 ZINC000757773759 626562608 /nfs/dbraw/zinc/56/26/08/626562608.db2.gz LIZFTQOGQCABCQ-UHFFFAOYSA-N 0 1 296.414 2.656 20 30 CFEDMN C#CCNC(=S)Nc1ccc2c(c1)CN(CCCC)C2 ZINC000758220514 626583623 /nfs/dbraw/zinc/58/36/23/626583623.db2.gz YLZOBCYIPQZZTP-UHFFFAOYSA-N 0 1 287.432 2.722 20 30 CFEDMN CCCCC[C@H]1CCCN1Cn1cccc(C#N)c1=O ZINC000758241989 626585000 /nfs/dbraw/zinc/58/50/00/626585000.db2.gz VOLBHCMZSLJKHJ-HNNXBMFYSA-N 0 1 273.380 2.722 20 30 CFEDMN Cc1cc(C(C#N)C(=O)C[C@H](C)c2ccncc2)nc(C)n1 ZINC000759206829 626637101 /nfs/dbraw/zinc/63/71/01/626637101.db2.gz RGEWEHJKRYIIHQ-NHYWBVRUSA-N 0 1 294.358 2.859 20 30 CFEDMN CC(C)c1ccc([C@@H]2CCCN2CC(=O)NCCC#N)cc1 ZINC000759333046 626646222 /nfs/dbraw/zinc/64/62/22/626646222.db2.gz MEKOFXVLHMRZEX-KRWDZBQOSA-N 0 1 299.418 2.977 20 30 CFEDMN C=C[C@@](C)(CC)COC(=O)C(C)(C)NC(=O)C(F)(F)F ZINC000759687937 626683385 /nfs/dbraw/zinc/68/33/85/626683385.db2.gz VTHHJHRAHQGPSM-LBPRGKRZSA-N 0 1 295.301 2.589 20 30 CFEDMN C[C@@H]1CC(N=Nc2ncc(F)cn2)CN1Cc1ccccc1 ZINC000760246749 626723872 /nfs/dbraw/zinc/72/38/72/626723872.db2.gz FHRLOBOEGVEJIB-GFCCVEGCSA-N 0 1 299.353 2.678 20 30 CFEDMN N#CC(C(=O)C=Cc1cccc(F)c1)c1ccncn1 ZINC000760356544 626739306 /nfs/dbraw/zinc/73/93/06/626739306.db2.gz IFMNBTIQFNBPBV-MUBLQREKSA-N 0 1 267.263 2.505 20 30 CFEDMN N#C[C@@H](C(=O)Cc1cccc(Cl)c1)c1ccncn1 ZINC000760360168 626739600 /nfs/dbraw/zinc/73/96/00/626739600.db2.gz WNYDLHDFJNNPGE-GFCCVEGCSA-N 0 1 271.707 2.549 20 30 CFEDMN N#CC(C(=O)CCCc1cccs1)c1ccncn1 ZINC000760359115 626739671 /nfs/dbraw/zinc/73/96/71/626739671.db2.gz RTNQJQFMQXMLPA-GFCCVEGCSA-N 0 1 271.345 2.737 20 30 CFEDMN C=C1CCN([C@H]2CCCN(Cc3ccccc3)C2=O)CC1 ZINC000760834213 626775870 /nfs/dbraw/zinc/77/58/70/626775870.db2.gz NHPFZEUKPBXGSK-KRWDZBQOSA-N 0 1 284.403 2.830 20 30 CFEDMN CC[C@@]1(C)COCCN1CCCOc1ccc(C#N)cc1 ZINC000761111364 626805830 /nfs/dbraw/zinc/80/58/30/626805830.db2.gz XEQDSFLDMZHMRL-KRWDZBQOSA-N 0 1 288.391 2.828 20 30 CFEDMN CC(=NN=c1cc(C)[nH]cn1)c1nc2c(s1)CCCC2 ZINC000761258976 626819010 /nfs/dbraw/zinc/81/90/10/626819010.db2.gz NGSDUTZZJVOWBR-UHFFFAOYSA-N 0 1 287.392 2.956 20 30 CFEDMN C[C@H]1CC(N=Nc2ccc(C(F)(F)F)cn2)CN1C ZINC000761801202 626859268 /nfs/dbraw/zinc/85/92/68/626859268.db2.gz LCAFCENCLDNGBE-QMMMGPOBSA-N 0 1 272.274 2.592 20 30 CFEDMN Cc1ccc(C=NNc2ccc(-n3ccnc3)nn2)cc1F ZINC000761838137 626862858 /nfs/dbraw/zinc/86/28/58/626862858.db2.gz JAJQBHYHCWQWEA-UHFFFAOYSA-N 0 1 296.309 2.556 20 30 CFEDMN Cn1cc(N=NCc2nc3ccc(F)cc3s2)cn1 ZINC000761860715 626865349 /nfs/dbraw/zinc/86/53/49/626865349.db2.gz NYLUWEZTQGWWQY-UHFFFAOYSA-N 0 1 275.312 2.615 20 30 CFEDMN CCC(CC)[C@@H](C)C(=O)C(C#N)C(=O)Nc1ccccn1 ZINC000762043141 626883518 /nfs/dbraw/zinc/88/35/18/626883518.db2.gz YUGUXYRUDREQKB-DGCLKSJQSA-N 0 1 287.363 2.801 20 30 CFEDMN C#CCN1CCC[C@H]1COC(=O)[C@@H](C)C(CC)CC ZINC000762063289 626885391 /nfs/dbraw/zinc/88/53/91/626885391.db2.gz UQQBLJYDAKGYRR-ZFWWWQNUSA-N 0 1 265.397 2.700 20 30 CFEDMN C[C@@H]1CC(NC(=O)c2cc(Cl)cc(Cl)c2)=NO1 ZINC000763261912 626974345 /nfs/dbraw/zinc/97/43/45/626974345.db2.gz VBOTYZDTYJZMQP-ZCFIWIBFSA-N 0 1 273.119 2.846 20 30 CFEDMN C#CCN(Cc1cc(=O)oc2cc3c(cc12)CCC3)C1CC1 ZINC000763949808 627024873 /nfs/dbraw/zinc/02/48/73/627024873.db2.gz HOZAALALKIBORD-UHFFFAOYSA-N 0 1 293.366 2.879 20 30 CFEDMN C#CCN(Cc1cccc(OC(F)F)c1)C1CC1 ZINC000763956086 627025955 /nfs/dbraw/zinc/02/59/55/627025955.db2.gz USUMYWJEZXBVRE-UHFFFAOYSA-N 0 1 251.276 2.886 20 30 CFEDMN C#CCN(Cc1ccc(OCC(F)F)cc1)C1CC1 ZINC000764683466 627083619 /nfs/dbraw/zinc/08/36/19/627083619.db2.gz QHACCAQRINYKJK-UHFFFAOYSA-N 0 1 265.303 2.928 20 30 CFEDMN C[C@H]1CC(NC(=O)c2cc(Oc3ccccc3)ccn2)=NO1 ZINC000765372346 627132912 /nfs/dbraw/zinc/13/29/12/627132912.db2.gz JRQQGWYGGCRUOH-NSHDSACASA-N 0 1 297.314 2.726 20 30 CFEDMN c1ccc2sc(N=NC3CCN4CCC[C@@H]34)nc2c1 ZINC000765543201 627146154 /nfs/dbraw/zinc/14/61/54/627146154.db2.gz OBMMDWRULPJKFW-LBPRGKRZSA-N 0 1 272.377 2.932 20 30 CFEDMN c1ccc2ncc(CNN=C3CCN4CCC[C@@H]34)cc2c1 ZINC000765583414 627148966 /nfs/dbraw/zinc/14/89/66/627148966.db2.gz HSNJRYOMKVIFPQ-KRWDZBQOSA-N 0 1 280.375 2.549 20 30 CFEDMN C=CC[C@@H](N[C@@H](C)c1cnn(C)c1)c1ccncc1 ZINC000766017762 627171501 /nfs/dbraw/zinc/17/15/01/627171501.db2.gz CYVXLEDKZQKEOU-SWLSCSKDSA-N 0 1 256.353 2.783 20 30 CFEDMN C#Cc1cccc(NC(=O)N2C[C@@H](C)N(CC)C[C@H]2C)c1 ZINC000766328496 627195458 /nfs/dbraw/zinc/19/54/58/627195458.db2.gz YZMYDYDPCDPPHC-ZIAGYGMSSA-N 0 1 285.391 2.614 20 30 CFEDMN CN(CC1CCCCC1)Cn1cc2c(c(C#N)c1=O)CCC2 ZINC000766611889 627211008 /nfs/dbraw/zinc/21/10/08/627211008.db2.gz RYYBNIIOHAOLAR-UHFFFAOYSA-N 0 1 299.418 2.678 20 30 CFEDMN COCCON=C1C[C@@H](C)CN(Cc2ccccc2)C1 ZINC000767385350 627247199 /nfs/dbraw/zinc/24/71/99/627247199.db2.gz MOBCMSMWIVVUEQ-CQSZACIVSA-N 0 1 276.380 2.547 20 30 CFEDMN Fc1ccc(C=NNc2ncnc3nc[nH]c32)c(Cl)c1 ZINC000767776765 627285027 /nfs/dbraw/zinc/28/50/27/627285027.db2.gz OQPVSTZRKPOANL-UHFFFAOYSA-N 0 1 290.689 2.591 20 30 CFEDMN CC(=N[N-]c1[nH]c2ccccc2[nH+]1)c1cscn1 ZINC000767892631 627291503 /nfs/dbraw/zinc/29/15/03/627291503.db2.gz FSRVGZRROHXBSL-UHFFFAOYSA-N 0 1 257.322 2.856 20 30 CFEDMN C#CCC(C)(C)C(=O)NCc1nc2ccc(Cl)cc2[nH]1 ZINC000768085260 627312410 /nfs/dbraw/zinc/31/24/10/627312410.db2.gz GEUSXDOTYVOPMC-UHFFFAOYSA-N 0 1 289.766 2.882 20 30 CFEDMN CC(C)Oc1ccc(C(=O)Nc2cc(C#N)ccc2O)nc1 ZINC000768119136 627317276 /nfs/dbraw/zinc/31/72/76/627317276.db2.gz AUIGVSRFIRDYCH-UHFFFAOYSA-N 0 1 297.314 2.698 20 30 CFEDMN CC(C)CN(CCC#N)Cc1ccccc1-n1cncn1 ZINC000768155354 627322132 /nfs/dbraw/zinc/32/21/32/627322132.db2.gz ZQKNRESKKYPSPT-UHFFFAOYSA-N 0 1 283.379 2.639 20 30 CFEDMN C[C@@H](C#N)Oc1ccc(CN2CCOC(C)(C)[C@H]2C)cc1 ZINC000769452285 627440833 /nfs/dbraw/zinc/44/08/33/627440833.db2.gz UZRZJLVCNAOXFE-UONOGXRCSA-N 0 1 288.391 2.977 20 30 CFEDMN CN(CC(F)F)C1CCN(Cc2ccc(C#N)s2)CC1 ZINC000769509001 627449126 /nfs/dbraw/zinc/44/91/26/627449126.db2.gz GVXUYPHIAGIHOR-UHFFFAOYSA-N 0 1 299.390 2.781 20 30 CFEDMN Cc1ccnc(N=NCc2cn(C)nc2C(C)(C)C)c1 ZINC000769583887 627457703 /nfs/dbraw/zinc/45/77/03/627457703.db2.gz GWKKRUGOVMWVPI-UHFFFAOYSA-N 0 1 271.368 2.867 20 30 CFEDMN N#Cc1ccc(O)c(NC(=O)[C@H](F)c2ccccc2)c1 ZINC000769613087 627461302 /nfs/dbraw/zinc/46/13/02/627461302.db2.gz MJDNFXMKJVVEHX-CQSZACIVSA-N 0 1 270.263 2.913 20 30 CFEDMN N#Cc1ccc(O)c(NC(=O)[C@@H](F)c2ccccc2)c1 ZINC000769613083 627461312 /nfs/dbraw/zinc/46/13/12/627461312.db2.gz MJDNFXMKJVVEHX-AWEZNQCLSA-N 0 1 270.263 2.913 20 30 CFEDMN Oc1c(Cl)cccc1C=NNCC(F)(F)F ZINC000769808059 627476673 /nfs/dbraw/zinc/47/66/73/627476673.db2.gz IYQPPPBAYPVGCT-UHFFFAOYSA-N 0 1 252.623 2.531 20 30 CFEDMN C#C[C@H](C)N(C)Cc1cc2c(c(Br)c1)OCO2 ZINC000769962006 627490805 /nfs/dbraw/zinc/49/08/05/627490805.db2.gz VMCQLVJIZQUQLS-VIFPVBQESA-N 0 1 296.164 2.631 20 30 CFEDMN C[C@@H](C#N)COC(=O)c1ccc(-c2nnc(C3CC3)[nH]2)cc1 ZINC000770899713 627555686 /nfs/dbraw/zinc/55/56/86/627555686.db2.gz ILFWZXCOHVLOPA-JTQLQIEISA-N 0 1 296.330 2.666 20 30 CFEDMN CCCCCNC(=O)C(C#N)C(=O)CCCC(F)(F)F ZINC000771259166 627589080 /nfs/dbraw/zinc/58/90/80/627589080.db2.gz UXFZJCGCQIHXBF-JTQLQIEISA-N 0 1 292.301 2.734 20 30 CFEDMN CN1CCN(c2ccc(/C=C\C(=O)c3ccco3)cc2)CC1 ZINC000771526167 627611016 /nfs/dbraw/zinc/61/10/16/627611016.db2.gz UXFTUBCUSZHTMA-TWGQIWQCSA-N 0 1 296.370 2.928 20 30 CFEDMN CN1CCN(c2ccc(C=[NH+][N-]c3ccccc3)cc2)CC1 ZINC000771553881 627613360 /nfs/dbraw/zinc/61/33/60/627613360.db2.gz SHZWMGOYFVBFCQ-UHFFFAOYSA-N 0 1 294.402 2.884 20 30 CFEDMN CC(C)CNN=CC1(CN2CCOCC2)CCCCC1 ZINC000771567705 627614648 /nfs/dbraw/zinc/61/46/48/627614648.db2.gz RMCLPYVXIXFOFF-UHFFFAOYSA-N 0 1 281.444 2.501 20 30 CFEDMN Clc1cscc1C=NNCCN1CCCCC1 ZINC000771877599 627641470 /nfs/dbraw/zinc/64/14/70/627641470.db2.gz UZISFRRGEFXBMP-UHFFFAOYSA-N 0 1 271.817 2.811 20 30 CFEDMN C#CCN1CCC(C(=O)OCCc2ccc(CC)cc2)CC1 ZINC000772132991 627677203 /nfs/dbraw/zinc/67/72/03/627677203.db2.gz HSUVFVYWFBIMMS-UHFFFAOYSA-N 0 1 299.414 2.680 20 30 CFEDMN O=C1c2ccccc2O/C1=C/c1cc(O)ccc1[N+](=O)[O-] ZINC000772803921 627747299 /nfs/dbraw/zinc/74/72/99/627747299.db2.gz ACMFHHFXXOBBDR-RIYZIHGNSA-N 0 1 283.239 2.917 20 30 CFEDMN COc1ccc(N=NCc2ccc(C)c(OC)c2)nc1 ZINC000773071887 627778401 /nfs/dbraw/zinc/77/84/01/627778401.db2.gz DVMIALAEJGRRAE-UHFFFAOYSA-N 0 1 271.320 2.853 20 30 CFEDMN C#CCCCCC(=O)OC[C@H]1CCCN1Cc1ccco1 ZINC000773834781 627862087 /nfs/dbraw/zinc/86/20/87/627862087.db2.gz NTBRGGUUHWKSGG-OAHLLOKOSA-N 0 1 289.375 2.981 20 30 CFEDMN C[C@@H]1CN(Cc2ccccc2)CC1=NOC1CCOCC1 ZINC000774443898 627926959 /nfs/dbraw/zinc/92/69/59/627926959.db2.gz HODRJAPVFODFBW-CQSZACIVSA-N 0 1 288.391 2.690 20 30 CFEDMN C#CCCN1CCN(c2nccc3ccc(F)cc32)CC1 ZINC000774529340 627935966 /nfs/dbraw/zinc/93/59/66/627935966.db2.gz SBKCKRFLNOLHJN-UHFFFAOYSA-N 0 1 283.350 2.519 20 30 CFEDMN C(=NOC1CCCC1)c1cc(-c2cccnc2)[nH]n1 ZINC000774604708 627941106 /nfs/dbraw/zinc/94/11/06/627941106.db2.gz ZTEVRHJDVAWITQ-UHFFFAOYSA-N 0 1 256.309 2.765 20 30 CFEDMN C#C[C@@H](C)[N@@H+](C)Cc1cccc(Br)c1[O-] ZINC000775184065 627999059 /nfs/dbraw/zinc/99/90/59/627999059.db2.gz USJASEFOYAPYFK-SECBINFHSA-N 0 1 268.154 2.608 20 30 CFEDMN C#C[C@@H](NCc1cc(C)c(OC)c(C)c1)[C@@H]1CCCO1 ZINC000775341405 628012344 /nfs/dbraw/zinc/01/23/44/628012344.db2.gz MHRIUJUNCBLLIB-CVEARBPZSA-N 0 1 273.376 2.582 20 30 CFEDMN C#C[C@@H](NCc1cc2cc(OC)ccc2o1)[C@@H]1CCCO1 ZINC000775342009 628012561 /nfs/dbraw/zinc/01/25/61/628012561.db2.gz PBJHESVIUFQXFY-WBVHZDCISA-N 0 1 285.343 2.712 20 30 CFEDMN C#C[C@H](NCc1cccc(Br)c1)[C@H]1CCCO1 ZINC000775342417 628012691 /nfs/dbraw/zinc/01/26/91/628012691.db2.gz QYJGFOYJRHBDCV-UONOGXRCSA-N 0 1 294.192 2.720 20 30 CFEDMN C#C[C@@H](NCc1ccc(OC)c(Cl)c1)[C@H]1CCCO1 ZINC000775341674 628012813 /nfs/dbraw/zinc/01/28/13/628012813.db2.gz MXAVCYRCQVXPRU-UKRRQHHQSA-N 0 1 279.767 2.619 20 30 CFEDMN C#C[C@@H](NCc1cccc2cccnc21)[C@@H]1CCCO1 ZINC000775345087 628013126 /nfs/dbraw/zinc/01/31/26/628013126.db2.gz MKEIJVCTLBATNQ-CVEARBPZSA-N 0 1 266.344 2.505 20 30 CFEDMN C#C[C@H](NCc1ccc(N(CC)CC)cc1)[C@H]1CCCO1 ZINC000775344233 628013630 /nfs/dbraw/zinc/01/36/30/628013630.db2.gz FMJQSLDYCSBTSR-ZWKOTPCHSA-N 0 1 286.419 2.803 20 30 CFEDMN C#C[C@H](NCc1ccc(OCC(F)F)cc1)[C@@H]1CCCO1 ZINC000775350261 628014354 /nfs/dbraw/zinc/01/43/54/628014354.db2.gz OJWSLZWNHBUVOS-GJZGRUSLSA-N 0 1 295.329 2.601 20 30 CFEDMN C#C[C@@H](NCc1cc(C)c2ncccc2c1)[C@H]1CCCO1 ZINC000775346593 628014512 /nfs/dbraw/zinc/01/45/12/628014512.db2.gz VPWNHUSPRIYNJZ-IAGOWNOFSA-N 0 1 280.371 2.814 20 30 CFEDMN C#CC[C@H](NCC(=O)N[C@@H](C)C(C)C)c1ccccc1 ZINC000775398332 628019927 /nfs/dbraw/zinc/01/99/27/628019927.db2.gz GNIGHKSWVYJMTA-HOCLYGCPSA-N 0 1 272.392 2.501 20 30 CFEDMN C#C[C@H](N[C@H]1CCc2ccc(F)cc21)[C@H]1CCCO1 ZINC000775571349 628039520 /nfs/dbraw/zinc/03/95/20/628039520.db2.gz FZIYYBJSLWTFSK-HRCADAONSA-N 0 1 259.324 2.583 20 30 CFEDMN C#C[C@H](N[C@@H](C)c1ccc(OCC)cc1)[C@H]1CCCO1 ZINC000775571304 628040066 /nfs/dbraw/zinc/04/00/66/628040066.db2.gz DYZWGFXAUSSXNK-RRQGHBQHSA-N 0 1 273.376 2.917 20 30 CFEDMN C#C[C@H](N[C@@H](C)c1ccc(C)nc1C)[C@@H]1CCCO1 ZINC000775571762 628040132 /nfs/dbraw/zinc/04/01/32/628040132.db2.gz LHMMHZHNNKUQBI-BPUTZDHNSA-N 0 1 258.365 2.530 20 30 CFEDMN C#C[C@H](N[C@@H](C)c1sc(C)nc1C)[C@H]1CCCO1 ZINC000775572948 628040746 /nfs/dbraw/zinc/04/07/46/628040746.db2.gz DRCZIFINGXAOLO-WCFLWFBJSA-N 0 1 264.394 2.591 20 30 CFEDMN CC[C@]1(C)COCCN1Cc1ccc(O[C@@H](C)C#N)cc1 ZINC000775981635 628090201 /nfs/dbraw/zinc/09/02/01/628090201.db2.gz SDLMXXMUHZLNFK-WMLDXEAASA-N 0 1 288.391 2.978 20 30 CFEDMN CCc1cc(CN[C@@H](C)c2ccc(C#N)cc2)[nH]n1 ZINC000776158666 628108074 /nfs/dbraw/zinc/10/80/74/628108074.db2.gz VDJSAZQHRDYBLZ-NSHDSACASA-N 0 1 254.337 2.695 20 30 CFEDMN CC(=NNC1=N[C@@H]2CCCC[C@H]2N1)c1cccc(F)c1F ZINC000776259280 628123101 /nfs/dbraw/zinc/12/31/01/628123101.db2.gz HSGVJWIMCFRPLM-CHWSQXEVSA-N 0 1 292.333 2.549 20 30 CFEDMN CCCCCCNC(=O)C(C#N)C(=O)[C@@H]1CC[C@@H](C)C1 ZINC000776516343 628155598 /nfs/dbraw/zinc/15/55/98/628155598.db2.gz MFBKRZKPWIZWGR-MGPQQGTHSA-N 0 1 278.396 2.828 20 30 CFEDMN C=C(C)CN(CCC(OC)OC)Cc1cnn(C(C)C)c1 ZINC000852041171 634634620 /nfs/dbraw/zinc/63/46/20/634634620.db2.gz QWILQZXUUHKPII-UHFFFAOYSA-N 0 1 295.427 2.851 20 30 CFEDMN Cc1cc2ccccc2nc1NN=Cc1nccn1C ZINC000776786516 628178245 /nfs/dbraw/zinc/17/82/45/628178245.db2.gz WYFZLSMLJMLAJL-UHFFFAOYSA-N 0 1 265.320 2.723 20 30 CFEDMN C[C@@H]1CC(=NC(=O)c2coc(C3CCCCC3)n2)NO1 ZINC000777281705 628212142 /nfs/dbraw/zinc/21/21/42/628212142.db2.gz TWMKDVWJMOACTM-SECBINFHSA-N 0 1 277.324 2.574 20 30 CFEDMN Cn1c2ccccc2[nH]c1=NN=Cc1ccc(F)nc1 ZINC000777430358 628224546 /nfs/dbraw/zinc/22/45/46/628224546.db2.gz KRYJTNABMFLMNU-UHFFFAOYSA-N 0 1 269.283 2.553 20 30 CFEDMN Fc1ccc(C=NNc2ncnc3sccc32)cn1 ZINC000777428485 628224881 /nfs/dbraw/zinc/22/48/81/628224881.db2.gz BKZOCVIFHKLTNT-UHFFFAOYSA-N 0 1 273.296 2.671 20 30 CFEDMN C#CCOc1cccc(Cl)c1CNC[C@H](O)[C@@H](C)CC ZINC000778170413 628282757 /nfs/dbraw/zinc/28/27/57/628282757.db2.gz PTGGNHPZIOQSDM-WFASDCNBSA-N 0 1 295.810 2.849 20 30 CFEDMN CC(C)c1ncc(C=NN=c2cc(Cl)[nH]c(N)n2)s1 ZINC000778544073 628313608 /nfs/dbraw/zinc/31/36/08/628313608.db2.gz CBTYYVNQWCZISO-UHFFFAOYSA-N 0 1 296.787 2.738 20 30 CFEDMN CC(C)c1ncc(C=NNc2cc(Cl)nc(N)n2)s1 ZINC000778544073 628313611 /nfs/dbraw/zinc/31/36/11/628313611.db2.gz CBTYYVNQWCZISO-UHFFFAOYSA-N 0 1 296.787 2.738 20 30 CFEDMN C#CC[C@H](OC(=O)[C@@H](CC)N(CC)CC)c1ccccn1 ZINC000778631453 628321447 /nfs/dbraw/zinc/32/14/47/628321447.db2.gz HAIMHNOFIDWYAT-CVEARBPZSA-N 0 1 288.391 2.810 20 30 CFEDMN C=CCC[C@H](C(=O)OCCc1c[nH]nn1)c1ccccc1 ZINC000778651149 628322626 /nfs/dbraw/zinc/32/26/26/628322626.db2.gz NYLHGWVNBACWDM-HNNXBMFYSA-N 0 1 285.347 2.640 20 30 CFEDMN C=CCC[C@H](C(=O)OCCc1cnn[nH]1)c1ccccc1 ZINC000778651149 628322629 /nfs/dbraw/zinc/32/26/29/628322629.db2.gz NYLHGWVNBACWDM-HNNXBMFYSA-N 0 1 285.347 2.640 20 30 CFEDMN C#C[C@@H](Cc1ccccc1)OC(=O)[C@@H](CC)N(CC)CC ZINC000778688264 628325020 /nfs/dbraw/zinc/32/50/20/628325020.db2.gz FYHIYPGHEXMKBX-DLBZAZTESA-N 0 1 287.403 2.895 20 30 CFEDMN C#CCOc1cccc(Cl)c1CN1CCC[C@@](C)(O)C1 ZINC000779158357 628356574 /nfs/dbraw/zinc/35/65/74/628356574.db2.gz OOUIUSBEPPRUKD-MRXNPFEDSA-N 0 1 293.794 2.699 20 30 CFEDMN COc1cccc(N=NC(C)c2cccc([N+](=O)[O-])c2)n1 ZINC000779816177 628410292 /nfs/dbraw/zinc/41/02/92/628410292.db2.gz CBKHSOZAOCKAIB-UHFFFAOYSA-N 0 1 286.291 2.835 20 30 CFEDMN C#C[C@](C)(CC)N[C@@H](C)C(=O)Nc1ccc(C(C)=O)cc1 ZINC000852099976 634654155 /nfs/dbraw/zinc/65/41/55/634654155.db2.gz DWVSATSEBVTYGC-YVEFUNNKSA-N 0 1 286.375 2.608 20 30 CFEDMN C#C[C@](C)(CC)N[C@H](C)C(=O)Nc1cccc(C(C)=O)c1 ZINC000852100232 634654198 /nfs/dbraw/zinc/65/41/98/634654198.db2.gz GHPPLUNUTROUFU-SJKOYZFVSA-N 0 1 286.375 2.608 20 30 CFEDMN C#CCCCCCC(=O)N1C[C@H](C)N(CC)C[C@H]1C ZINC000780016087 628426952 /nfs/dbraw/zinc/42/69/52/628426952.db2.gz CMNAMGALPMIZCV-LSDHHAIUSA-N 0 1 264.413 2.511 20 30 CFEDMN C#C[C@](C)(CC)NCC(=O)Nc1ccc(SC)cc1 ZINC000852100992 634654972 /nfs/dbraw/zinc/65/49/72/634654972.db2.gz MDBULNBDBKKVHE-OAHLLOKOSA-N 0 1 276.405 2.739 20 30 CFEDMN COc1ccc(CN=Nc2ccc(C(F)(F)F)cn2)cn1 ZINC000780193958 628438655 /nfs/dbraw/zinc/43/86/55/628438655.db2.gz ADIJRIWQVYWFQU-UHFFFAOYSA-N 0 1 296.252 2.950 20 30 CFEDMN CN(C)c1ccc(C=NN[C@@H]2CCOC(C)(C)C2)cc1F ZINC000780241086 628443181 /nfs/dbraw/zinc/44/31/81/628443181.db2.gz LIYJREQJISBOEM-CYBMUJFWSA-N 0 1 293.386 2.773 20 30 CFEDMN CC1(C)C[C@@H](NN=Cc2cc(-c3ccccc3)[nH]n2)CCO1 ZINC000780251775 628445758 /nfs/dbraw/zinc/44/57/58/628445758.db2.gz DILFGLVXWBLWKQ-AWEZNQCLSA-N 0 1 298.390 2.958 20 30 CFEDMN COc1ccc(N=NC(C)c2nc(C)sc2C)nc1 ZINC000780267503 628448263 /nfs/dbraw/zinc/44/82/63/628448263.db2.gz MFRWERYQNUYDNK-UHFFFAOYSA-N 0 1 276.365 3.000 20 30 CFEDMN C#C[C@@](C)(CC)N[C@@H](C)C(=O)Nc1ccc(OCC)cc1 ZINC000852101519 634656282 /nfs/dbraw/zinc/65/62/82/634656282.db2.gz RNTTWQIGPVFGIH-GUYCJALGSA-N 0 1 288.391 2.804 20 30 CFEDMN COc1ccc(N=NCc2cc(OC)cc(OC)c2)nc1 ZINC000780275467 628449426 /nfs/dbraw/zinc/44/94/26/628449426.db2.gz XREGSMKTFZKFHJ-UHFFFAOYSA-N 0 1 287.319 2.553 20 30 CFEDMN C#CCCCCCC(=O)C(C#N)C(=O)Nc1ccccc1 ZINC000780306678 628453754 /nfs/dbraw/zinc/45/37/54/628453754.db2.gz ZYBKRKSRYTYDKC-OAHLLOKOSA-N 0 1 282.343 2.918 20 30 CFEDMN C[C@@H](NCc1ccc(C#N)cn1)c1cccc(F)c1 ZINC000780328889 628455491 /nfs/dbraw/zinc/45/54/91/628455491.db2.gz GCJMGXDKDMQUME-LLVKDONJSA-N 0 1 255.296 2.943 20 30 CFEDMN N#Cc1ccc(CN[C@@H]2CCc3c2cccc3F)nc1 ZINC000780328258 628455499 /nfs/dbraw/zinc/45/54/99/628455499.db2.gz AUZLHUKSAZYERV-MRXNPFEDSA-N 0 1 267.307 2.869 20 30 CFEDMN CC1(C#N)CCN(C[C@H](O)c2ccc(Cl)cc2)CC1 ZINC000780334248 628455949 /nfs/dbraw/zinc/45/59/49/628455949.db2.gz JUEUFRRJNCFBCA-AWEZNQCLSA-N 0 1 278.783 2.999 20 30 CFEDMN C=CCOc1ccc(CNCc2ccc(C#N)cn2)cc1 ZINC000780555565 628475854 /nfs/dbraw/zinc/47/58/54/628475854.db2.gz IAMFIDDXZIZARL-UHFFFAOYSA-N 0 1 279.343 2.808 20 30 CFEDMN N#Cc1ccc(CNCc2c[nH]nc2-c2ccccc2)nc1 ZINC000780559163 628476824 /nfs/dbraw/zinc/47/68/24/628476824.db2.gz XPVOTORQFXGQNU-UHFFFAOYSA-N 0 1 289.342 2.633 20 30 CFEDMN Fc1cc(N=NCc2cn3cc(Cl)ccc3n2)ccn1 ZINC000781130090 628524338 /nfs/dbraw/zinc/52/43/38/628524338.db2.gz NZJPDGGXTSUOJH-UHFFFAOYSA-N 0 1 289.701 2.968 20 30 CFEDMN C#CCN1CCC(C(=O)OCCCC(C)(C)C)CC1 ZINC000781178483 628529926 /nfs/dbraw/zinc/52/99/26/628529926.db2.gz NHGLUQRSZKHPEN-UHFFFAOYSA-N 0 1 265.397 2.701 20 30 CFEDMN C[C@@H](NC[C@@H](O)c1ccco1)c1ccc(C#N)cc1F ZINC000781422395 628547875 /nfs/dbraw/zinc/54/78/75/628547875.db2.gz XRSZEQWNXWXSJT-QMTHXVAHSA-N 0 1 274.295 2.675 20 30 CFEDMN Cn1c2ccccc2nc1C(C#N)C(=O)[C@@]1(C)CCCOC1 ZINC000781450139 628549524 /nfs/dbraw/zinc/54/95/24/628549524.db2.gz QNPUCBBZHOTLKK-SJCJKPOMSA-N 0 1 297.358 2.566 20 30 CFEDMN C#CC[C@H](NCc1ccc(C(=O)OC)[nH]1)c1ccccc1 ZINC000781918082 628591088 /nfs/dbraw/zinc/59/10/88/628591088.db2.gz LZAKHSFQYORTKG-HNNXBMFYSA-N 0 1 282.343 2.656 20 30 CFEDMN C#CCCN1CCN(C(=O)OC(C)(C)C)C[C@H]1CCC ZINC000782094299 628603812 /nfs/dbraw/zinc/60/38/12/628603812.db2.gz AHHGQWORDUQGCK-CQSZACIVSA-N 0 1 280.412 2.731 20 30 CFEDMN Cc1cc(N=NCc2scnc2C2CC2)ncn1 ZINC000782231611 628617724 /nfs/dbraw/zinc/61/77/24/628617724.db2.gz XCCRLGLQVLYMSH-UHFFFAOYSA-N 0 1 259.338 2.565 20 30 CFEDMN N#Cc1ccc(CN[C@@H]2CCc3cc(F)ccc32)nc1 ZINC000783300397 628698910 /nfs/dbraw/zinc/69/89/10/628698910.db2.gz LMEYDCSETVDEMX-MRXNPFEDSA-N 0 1 267.307 2.869 20 30 CFEDMN CCC(=NNC1=N[C@@H]2CCCC[C@H]2N1)c1cccc(F)c1 ZINC000783522340 628716595 /nfs/dbraw/zinc/71/65/95/628716595.db2.gz QJSXUTULIBSYIY-HUUCEWRRSA-N 0 1 288.370 2.800 20 30 CFEDMN C=C[C@](C)(CCOC)C(=O)NOC1CCCCC1 ZINC000783717603 628737596 /nfs/dbraw/zinc/73/75/96/628737596.db2.gz MJLIQYWQGXYQIZ-CQSZACIVSA-N 0 1 255.358 2.596 20 30 CFEDMN Cc1nn(-c2ccncc2)cc1C=NNc1cc(C)ccn1 ZINC000783854745 628750197 /nfs/dbraw/zinc/75/01/97/628750197.db2.gz AAOHNEKBFHAORX-UHFFFAOYSA-N 0 1 292.346 2.725 20 30 CFEDMN Cc1cc(COC(=O)[C@H]2CCCc3[nH]ncc32)ccc1C#N ZINC000784121052 628779489 /nfs/dbraw/zinc/77/94/89/628779489.db2.gz IFJORIXBSGCXEH-AWEZNQCLSA-N 0 1 295.342 2.753 20 30 CFEDMN CCC#C[C@H](C)N1CCCN(c2ncccc2F)CC1 ZINC000784399552 628813884 /nfs/dbraw/zinc/81/38/84/628813884.db2.gz DZBUBISHZSZCDC-AWEZNQCLSA-N 0 1 275.371 2.535 20 30 CFEDMN CCc1ccc(NC(=O)C(C#N)C(=O)[C@H](F)C(C)C)cc1 ZINC000784490261 628821163 /nfs/dbraw/zinc/82/11/63/628821163.db2.gz DSMVOHKBECLISY-UONOGXRCSA-N 0 1 290.338 2.890 20 30 CFEDMN CC[C@@H](C)CCCCC(=O)C(C#N)C(=O)NC1CC1 ZINC000784827846 628843231 /nfs/dbraw/zinc/84/32/31/628843231.db2.gz ABHSSCBYUXLDHN-YPMHNXCESA-N 0 1 264.369 2.580 20 30 CFEDMN N#Cc1ccc(COC(=O)c2cccc3[nH]ncc32)c(F)c1 ZINC000785587743 628896442 /nfs/dbraw/zinc/89/64/42/628896442.db2.gz PMWDOWYJAQZAKS-UHFFFAOYSA-N 0 1 295.273 2.931 20 30 CFEDMN N#Cc1ccc(CNC[C@@H](O)c2cc(F)cc(Cl)c2)o1 ZINC000785609231 628898160 /nfs/dbraw/zinc/89/81/60/628898160.db2.gz IVSJOQNMWYWSKF-CQSZACIVSA-N 0 1 294.713 2.767 20 30 CFEDMN N#Cc1ccc2c(c1)CC[C@H]2NCc1ccc(F)nc1 ZINC000785614539 628898807 /nfs/dbraw/zinc/89/88/07/628898807.db2.gz MNRVYTKJAMDZTB-OAHLLOKOSA-N 0 1 267.307 2.869 20 30 CFEDMN C=CCCN(C)CN1CC[C@](C)(Cc2ccccc2)C1=O ZINC000786101720 628937187 /nfs/dbraw/zinc/93/71/87/628937187.db2.gz ODZFIUZPBFJKDW-GOSISDBHSA-N 0 1 286.419 2.933 20 30 CFEDMN Cc1cccc2nc([C@H](C#N)C(=O)CC(C)(C)C#N)[nH]c21 ZINC000786421844 628955433 /nfs/dbraw/zinc/95/54/33/628955433.db2.gz GUOXQFDBUMKUKL-LLVKDONJSA-N 0 1 280.331 2.987 20 30 CFEDMN Cc1cccc(CNC(=O)C(C#N)C(=O)C[C@H](C)C2CC2)c1 ZINC000786538866 628967189 /nfs/dbraw/zinc/96/71/89/628967189.db2.gz BPEYESRDVWFTEQ-BBRMVZONSA-N 0 1 298.386 2.756 20 30 CFEDMN Cc1cccc(CNC(=O)C(C#N)C(=O)C[C@@H](C)C2CC2)c1 ZINC000786538867 628967379 /nfs/dbraw/zinc/96/73/79/628967379.db2.gz BPEYESRDVWFTEQ-CJNGLKHVSA-N 0 1 298.386 2.756 20 30 CFEDMN Cc1cccc(CNC(=O)C(C#N)C(=O)CC2CCCC2)c1 ZINC000786552098 628968267 /nfs/dbraw/zinc/96/82/67/628968267.db2.gz JWOXKUFKJKUXOM-INIZCTEOSA-N 0 1 298.386 2.900 20 30 CFEDMN Cc1sccc1CC(=O)C(C#N)c1cc(C)nc(C)n1 ZINC000786931387 628985050 /nfs/dbraw/zinc/98/50/50/628985050.db2.gz XJPLTSUXUDAVRG-ZDUSSCGKSA-N 0 1 285.372 2.882 20 30 CFEDMN Cc1sccc1CC(=O)C(C#N)c1cc(C)nc(C)n1 ZINC000786931385 628985129 /nfs/dbraw/zinc/98/51/29/628985129.db2.gz XJPLTSUXUDAVRG-CYBMUJFWSA-N 0 1 285.372 2.882 20 30 CFEDMN FC(F)C(F)(F)COCCN1CC[C@@H](C(F)(F)F)C1 ZINC000787271889 629003350 /nfs/dbraw/zinc/00/33/50/629003350.db2.gz MHYHBUSAOORXEG-SSDOTTSWSA-N 0 1 297.214 2.788 20 30 CFEDMN C#CCC1(C(=O)NO[C@H]2CCCCO2)CCCCC1 ZINC000788504574 629075689 /nfs/dbraw/zinc/07/56/89/629075689.db2.gz CCOMFGONLUBYSB-ZDUSSCGKSA-N 0 1 265.353 2.535 20 30 CFEDMN Cc1cc(C=NNc2cc(Cl)nc(N)n2)cc(Cl)n1 ZINC000788724546 629094878 /nfs/dbraw/zinc/09/48/78/629094878.db2.gz ACXDZHUAGAEPQX-UHFFFAOYSA-N 0 1 297.149 2.515 20 30 CFEDMN COc1ccc(N=NC(C)c2coc(C)n2)c([N+](=O)[O-])c1 ZINC000789037122 629119578 /nfs/dbraw/zinc/11/95/78/629119578.db2.gz IFUIYQICFAGYSH-UHFFFAOYSA-N 0 1 290.279 2.736 20 30 CFEDMN CC(=Cc1ccc(Cl)nc1)c1nc(C)c(C#N)c(=O)[nH]1 ZINC000789829441 629190473 /nfs/dbraw/zinc/19/04/73/629190473.db2.gz OCDPSSLKNKLCOQ-YVMONPNESA-N 0 1 286.722 2.559 20 30 CFEDMN COCCN(C)c1ccc(C=NNCCC(C)(C)C)cn1 ZINC000790173650 629215734 /nfs/dbraw/zinc/21/57/34/629215734.db2.gz MCQIIUYIMIHJGZ-UHFFFAOYSA-N 0 1 292.427 2.524 20 30 CFEDMN COc1cc2c(cc1CN=Nc1ncccc1C)OCO2 ZINC000790185134 629216947 /nfs/dbraw/zinc/21/69/47/629216947.db2.gz CGEFKGJHTUJBIR-UHFFFAOYSA-N 0 1 285.303 2.573 20 30 CFEDMN COc1cc([N+](=O)[O-])ccc1N=NC(C)c1cc(C)on1 ZINC000790286786 629225675 /nfs/dbraw/zinc/22/56/75/629225675.db2.gz FBAIDMXQJBRWFN-UHFFFAOYSA-N 0 1 290.279 2.736 20 30 CFEDMN CC(=NNc1nccn1C)c1ccc(F)cc1F ZINC000790300340 629227450 /nfs/dbraw/zinc/22/74/50/629227450.db2.gz SCODYFJWSOIUGC-UHFFFAOYSA-N 0 1 250.252 2.534 20 30 CFEDMN Cn1cc(C=NNc2nccn2C)c(C2CCCCC2)n1 ZINC000790301729 629228104 /nfs/dbraw/zinc/22/81/04/629228104.db2.gz IGEZZMYZQIDGHJ-UHFFFAOYSA-N 0 1 286.383 2.647 20 30 CFEDMN CSCC(=NNc1nccn1C)c1ccccc1 ZINC000790301534 629228123 /nfs/dbraw/zinc/22/81/23/629228123.db2.gz FUTLNBNHPRQTHJ-UHFFFAOYSA-N 0 1 260.366 2.599 20 30 CFEDMN CSCC(=N[N-]c1[nH+]ccn1C)c1ccccc1 ZINC000790301534 629228125 /nfs/dbraw/zinc/22/81/25/629228125.db2.gz FUTLNBNHPRQTHJ-UHFFFAOYSA-N 0 1 260.366 2.599 20 30 CFEDMN Cn1ccnc1NN=C1CC(C)(C)c2ccccc21 ZINC000790305291 629229251 /nfs/dbraw/zinc/22/92/51/629229251.db2.gz IFJROZAESVPISE-UHFFFAOYSA-N 0 1 254.337 2.918 20 30 CFEDMN O=[N+]([O-])c1c(F)cccc1NN=Cc1cncs1 ZINC000790308446 629230062 /nfs/dbraw/zinc/23/00/62/629230062.db2.gz BHHRSOYGOKOFFT-UHFFFAOYSA-N 0 1 266.257 2.636 20 30 CFEDMN O=[N+]([O-])c1ccc(C=NNc2cccc(F)c2[N+](=O)[O-])o1 ZINC000790308897 629230398 /nfs/dbraw/zinc/23/03/98/629230398.db2.gz SCETVPOFGDHWDP-UHFFFAOYSA-N 0 1 294.198 2.681 20 30 CFEDMN N#CC[C@@H]1CCCN(CC2(Br)CC2)C1 ZINC000852319724 634721480 /nfs/dbraw/zinc/72/14/80/634721480.db2.gz BRYUPNVBFTVQHS-JTQLQIEISA-N 0 1 257.175 2.540 20 30 CFEDMN C#CCCCN1Cc2ccc(NC(=O)C(F)(F)F)cc2C1 ZINC000852335276 634724900 /nfs/dbraw/zinc/72/49/00/634724900.db2.gz HTROLFWWWWHXRK-UHFFFAOYSA-N 0 1 296.292 2.916 20 30 CFEDMN N#C[C@@]1(c2ccccn2)CCCN(CC2CC=CC2)C1 ZINC000852332911 634725043 /nfs/dbraw/zinc/72/50/43/634725043.db2.gz XADKQEXIPWPAND-KRWDZBQOSA-N 0 1 267.376 2.905 20 30 CFEDMN CC[C@H](C(=O)OCc1ccc(C#N)c(F)c1)N(CC)CC ZINC000791393960 629308277 /nfs/dbraw/zinc/30/82/77/629308277.db2.gz ZBHRCMVGBJLPBI-OAHLLOKOSA-N 0 1 292.354 2.861 20 30 CFEDMN CC[C@@H](C)CC(=O)OCC(=O)[C@@H](C#N)c1nc(C)cs1 ZINC000791501946 629322950 /nfs/dbraw/zinc/32/29/50/629322950.db2.gz FHEJULTXVDQRJZ-MWLCHTKSSA-N 0 1 294.376 2.607 20 30 CFEDMN CC[C@@H](C)CC(=O)OCC(=O)C(C#N)c1nc(C)cs1 ZINC000791501946 629322955 /nfs/dbraw/zinc/32/29/55/629322955.db2.gz FHEJULTXVDQRJZ-MWLCHTKSSA-N 0 1 294.376 2.607 20 30 CFEDMN N#CC(C(=O)C[C@@H]1CC[C@@H]2C[C@@H]21)C(=O)Nc1ccccc1 ZINC000835062365 629365696 /nfs/dbraw/zinc/36/56/96/629365696.db2.gz BLIJWKVYGJCHIN-PAPYEOQZSA-N 0 1 282.343 2.770 20 30 CFEDMN CC[C@H](C)CC(=O)C(C#N)C(=O)NCc1cccc(C)c1 ZINC000791890455 629372596 /nfs/dbraw/zinc/37/25/96/629372596.db2.gz IIRJCMWMAKSQCB-WFASDCNBSA-N 0 1 286.375 2.756 20 30 CFEDMN CC(C)CCCC(=O)C(C#N)C(=O)Nc1ccccn1 ZINC000835076464 629374825 /nfs/dbraw/zinc/37/48/25/629374825.db2.gz JLHQZJDLBKWGQJ-GFCCVEGCSA-N 0 1 273.336 2.555 20 30 CFEDMN CC(C)CO[C@@H](C)C(=O)C(C#N)c1cnc2ccccc2n1 ZINC000792110959 629398720 /nfs/dbraw/zinc/39/87/20/629398720.db2.gz VURYNPVUHJDFFI-STQMWFEESA-N 0 1 297.358 2.867 20 30 CFEDMN C=CCN(C[C@H]1CC1(Cl)Cl)[C@@H](C)COC ZINC000852360238 634733865 /nfs/dbraw/zinc/73/38/65/634733865.db2.gz WKWPHBVWPJSKQY-VHSXEESVSA-N 0 1 252.185 2.703 20 30 CFEDMN CCOC(=O)c1csc(C(C#N)C(=O)C=C(C)CC)n1 ZINC000835108251 629415083 /nfs/dbraw/zinc/41/50/83/629415083.db2.gz GKBLHWQEYXWULZ-ZKXNXJMVSA-N 0 1 292.360 2.852 20 30 CFEDMN Cc1cc(COC(=O)c2ccc3cncn3c2)ccc1C#N ZINC000792553139 629432921 /nfs/dbraw/zinc/43/29/21/629432921.db2.gz XWFPFCZMVSSIBE-UHFFFAOYSA-N 0 1 291.310 2.871 20 30 CFEDMN CCC[C@@H](OC)C(=O)[C@@H](C#N)c1nc2cccc(C)c2[nH]1 ZINC000835171770 629486799 /nfs/dbraw/zinc/48/67/99/629486799.db2.gz HHYXOZLALHQCNF-DGCLKSJQSA-N 0 1 285.347 2.863 20 30 CFEDMN N#Cc1ccc2ncc(C=NNc3cccc(Cl)n3)n2c1 ZINC000793162166 629495057 /nfs/dbraw/zinc/49/50/57/629495057.db2.gz RPDGRUOBYUQDJJ-UHFFFAOYSA-N 0 1 296.721 2.700 20 30 CFEDMN CNC(=O)c1ccc(C=NNc2cccc(Cl)n2)cc1 ZINC000793164761 629495838 /nfs/dbraw/zinc/49/58/38/629495838.db2.gz YFGKZEXAARNOTM-UHFFFAOYSA-N 0 1 288.738 2.541 20 30 CFEDMN COc1cccc(C=NNc2cccc(Cl)n2)c1O ZINC000793173805 629498512 /nfs/dbraw/zinc/49/85/12/629498512.db2.gz DSKQGHMXMYRQDJ-UHFFFAOYSA-N 0 1 277.711 2.895 20 30 CFEDMN N#CC1(COC(=O)c2cccc(-c3nnc[nH]3)c2)CCCC1 ZINC000793191188 629502333 /nfs/dbraw/zinc/50/23/33/629502333.db2.gz PUBXZOZVNWTVNJ-UHFFFAOYSA-N 0 1 296.330 2.712 20 30 CFEDMN C=C(C)[C@H](C)OC(=O)c1ccc(-c2nnc[nH]2)cc1 ZINC000793205752 629504076 /nfs/dbraw/zinc/50/40/76/629504076.db2.gz QERVYAHTZYAGJB-JTQLQIEISA-N 0 1 257.293 2.593 20 30 CFEDMN C=C(C)[C@@H](C)OC(=O)c1ccc(-c2nnc[nH]2)cc1 ZINC000793205753 629504375 /nfs/dbraw/zinc/50/43/75/629504375.db2.gz QERVYAHTZYAGJB-SNVBAGLBSA-N 0 1 257.293 2.593 20 30 CFEDMN C#CC[C@@H](Cc1ccccc1)OC(=O)c1ccc([N+](=O)[O-])[nH]1 ZINC000793378985 629534383 /nfs/dbraw/zinc/53/43/83/629534383.db2.gz OSLCGALRZMPIKH-ZDUSSCGKSA-N 0 1 298.298 2.714 20 30 CFEDMN CCCCN(CC)Cn1cc2c(c(C#N)c1=O)CCCC2 ZINC000793482950 629555256 /nfs/dbraw/zinc/55/52/56/629555256.db2.gz JANJFZWGZOXNHW-UHFFFAOYSA-N 0 1 287.407 2.678 20 30 CFEDMN CC[C@H]1C[C@@H](C)CN1Cn1cc2c(c(C#N)c1=O)CCCC2 ZINC000793503395 629558058 /nfs/dbraw/zinc/55/80/58/629558058.db2.gz ICGYERNOYALTMV-HIFRSBDPSA-N 0 1 299.418 2.677 20 30 CFEDMN C=CCCN(C)CN1CC[C@@H](CCc2ccccc2)C1=O ZINC000793515653 629559686 /nfs/dbraw/zinc/55/96/86/629559686.db2.gz KHIREZFDMQDWNN-QGZVFWFLSA-N 0 1 286.419 2.933 20 30 CFEDMN Cc1cc([C@@H](C)NC2(c3cccc(C#N)c3)CC2)n(C)n1 ZINC000793545462 629568251 /nfs/dbraw/zinc/56/82/51/629568251.db2.gz DLIAAUZJUZWWPC-CYBMUJFWSA-N 0 1 280.375 2.940 20 30 CFEDMN Cc1ccncc1C=NN=c1[nH]c2ccccc2[nH]1 ZINC000794463364 629648364 /nfs/dbraw/zinc/64/83/64/629648364.db2.gz IKQZYZMAUOKWTQ-UHFFFAOYSA-N 0 1 251.293 2.712 20 30 CFEDMN C=CC[N@H+](C)Cc1cc(=O)oc2cc([O-])c(Cl)cc12 ZINC000794564994 629661652 /nfs/dbraw/zinc/66/16/52/629661652.db2.gz HLQZPCHFFUIIHN-UHFFFAOYSA-N 0 1 279.723 2.770 20 30 CFEDMN C#CC(C)(C)N(C)Cc1cc(=O)oc2cc(OC)ccc12 ZINC000794579289 629664340 /nfs/dbraw/zinc/66/43/40/629664340.db2.gz ZGBJDQXSRIWKRC-UHFFFAOYSA-N 0 1 285.343 2.645 20 30 CFEDMN c1ccc(-c2cccc(CN=Nc3cncnc3)c2)nc1 ZINC000794975985 629713539 /nfs/dbraw/zinc/71/35/39/629713539.db2.gz BNUBYVAEAKRCHX-UHFFFAOYSA-N 0 1 275.315 2.985 20 30 CFEDMN Cc1cc(C=NNc2cncnc2)cc2cccnc12 ZINC000794975920 629713644 /nfs/dbraw/zinc/71/36/44/629713644.db2.gz ACTMHQALCUSLSE-UHFFFAOYSA-N 0 1 263.304 2.779 20 30 CFEDMN CCOc1c(Cl)cccc1CN=Nc1cncnc1 ZINC000794977896 629715191 /nfs/dbraw/zinc/71/51/91/629715191.db2.gz CABBBCOFVIFKOP-UHFFFAOYSA-N 0 1 276.727 2.975 20 30 CFEDMN CCCOc1cc(C=NNc2cncnc2)ccc1OC ZINC000794978436 629715404 /nfs/dbraw/zinc/71/54/04/629715404.db2.gz GPNDYVNKWROKPW-UHFFFAOYSA-N 0 1 286.335 2.720 20 30 CFEDMN CC(C)N(C)c1ccc(C=[NH+][N-]c2ncccc2F)cn1 ZINC000794989950 629718532 /nfs/dbraw/zinc/71/85/32/629718532.db2.gz HGIGEKZFHOFUTP-UHFFFAOYSA-N 0 1 287.342 2.906 20 30 CFEDMN CC(C)(C)n1cc(C=NNc2cccc(F)n2)cn1 ZINC000795006372 629722515 /nfs/dbraw/zinc/72/25/15/629722515.db2.gz NYZQIRAFXBSKBQ-UHFFFAOYSA-N 0 1 261.304 2.618 20 30 CFEDMN CN(C)c1nc(Cl)c(C=NNc2cccc(F)n2)s1 ZINC000795008240 629723312 /nfs/dbraw/zinc/72/33/12/629723312.db2.gz ZIZCNUIDKQUOFX-UHFFFAOYSA-N 0 1 299.762 2.843 20 30 CFEDMN C[C@H]1C[C@H](c2ccccc2)N(Cn2cccc(C#N)c2=O)C1 ZINC000795744003 629829154 /nfs/dbraw/zinc/82/91/54/629829154.db2.gz KUCOGLZKQKIILO-WMLDXEAASA-N 0 1 293.370 2.761 20 30 CFEDMN C#CCN(Cc1ccccc1)C[C@H](O)c1ccc(F)cc1 ZINC000796640969 629944413 /nfs/dbraw/zinc/94/44/13/629944413.db2.gz SYVFTTJSKGZHJZ-SFHVURJKSA-N 0 1 283.346 2.995 20 30 CFEDMN CC[C@H](C)CCC(=O)C(C#N)C(=O)NC1CCCCC1 ZINC000796790775 629968355 /nfs/dbraw/zinc/96/83/55/629968355.db2.gz VIHHLRCXYQEKDT-JSGCOSHPSA-N 0 1 278.396 2.970 20 30 CFEDMN N#C[C@H](C(=O)NC1CC1)C(=O)[C@@H]1CCC[C@H]2CCCC[C@@H]21 ZINC000796792735 629968594 /nfs/dbraw/zinc/96/85/94/629968594.db2.gz INYJZYGXTFRKTK-BEAPCOKYSA-N 0 1 288.391 2.580 20 30 CFEDMN CC[C@@](C)(OC)C(=O)C(C#N)c1cnc2ccccc2n1 ZINC000796899367 629986504 /nfs/dbraw/zinc/98/65/04/629986504.db2.gz JPGKNNQVMBBWIC-BDJLRTHQSA-N 0 1 283.331 2.621 20 30 CFEDMN N#C[C@H](C(=O)CCC(F)F)c1cnc2ccccc2n1 ZINC000796900931 629986725 /nfs/dbraw/zinc/98/67/25/629986725.db2.gz SHNAGTGGZHTRHE-VIFPVBQESA-N 0 1 275.258 2.851 20 30 CFEDMN Cc1onc(OC(F)F)c1NC(=O)c1cc(C#N)cs1 ZINC000798233977 630169672 /nfs/dbraw/zinc/16/96/72/630169672.db2.gz HGLGNSNNVCGGFJ-UHFFFAOYSA-N 0 1 299.258 2.770 20 30 CFEDMN C#C[C@@H](NC(=O)c1ccc(Nc2ccncc2)cc1)C(C)C ZINC000799048513 630270626 /nfs/dbraw/zinc/27/06/26/630270626.db2.gz MKQCTFWFLGLPSW-QGZVFWFLSA-N 0 1 293.370 2.635 20 30 CFEDMN C=CCN1CC[C@H](N[C@H](CC)c2ccccc2OC)C1=O ZINC000799156491 630280680 /nfs/dbraw/zinc/28/06/80/630280680.db2.gz WDLVPOKGFZIVPK-CABCVRRESA-N 0 1 288.391 2.523 20 30 CFEDMN FC(F)(F)c1cc(C=NNCc2ccccc2)[nH]n1 ZINC000799472352 630311815 /nfs/dbraw/zinc/31/18/15/630311815.db2.gz NFECNQVBCSJHGD-UHFFFAOYSA-N 0 1 268.242 2.552 20 30 CFEDMN Cc1ccnc(NN=Cc2cc(C(F)(F)F)[nH]n2)c1 ZINC000799482178 630313389 /nfs/dbraw/zinc/31/33/89/630313389.db2.gz QBFNDBCJQZQZBQ-UHFFFAOYSA-N 0 1 269.230 2.578 20 30 CFEDMN CCCC[C@H](C)C(=O)C(C#N)C(=O)NC1CCCCC1 ZINC000800385212 630376073 /nfs/dbraw/zinc/37/60/73/630376073.db2.gz USNMEEVIJFHONE-GXTWGEPZSA-N 0 1 278.396 2.970 20 30 CFEDMN N#CC(C(=O)NC1CCCC1)C(=O)[C@@H]1CCCC(F)(F)C1 ZINC000800385717 630376699 /nfs/dbraw/zinc/37/66/99/630376699.db2.gz DKOOQDXBEOIOIR-PWSUYJOCSA-N 0 1 298.333 2.580 20 30 CFEDMN C[C@H](C#N)OCCSc1nc(-c2ccccc2F)n[nH]1 ZINC000801655375 630464183 /nfs/dbraw/zinc/46/41/83/630464183.db2.gz XQMMJRBJJATCFQ-SECBINFHSA-N 0 1 292.339 2.632 20 30 CFEDMN C=CCN(CCO[C@H](C)C#N)Cc1cccs1 ZINC000801910700 630483710 /nfs/dbraw/zinc/48/37/10/630483710.db2.gz VRSKXRQQLCIWQO-GFCCVEGCSA-N 0 1 250.367 2.665 20 30 CFEDMN C[C@H](C#N)OCCN1CCS[C@@H](c2ccccc2)C1 ZINC000801921749 630488514 /nfs/dbraw/zinc/48/85/14/630488514.db2.gz LJIFQNMPAGIGNZ-UKRRQHHQSA-N 0 1 276.405 2.705 20 30 CFEDMN C[C@@H](C#N)OCCN1CCS[C@@H](c2ccccc2)C1 ZINC000801921747 630488575 /nfs/dbraw/zinc/48/85/75/630488575.db2.gz LJIFQNMPAGIGNZ-DZGCQCFKSA-N 0 1 276.405 2.705 20 30 CFEDMN C[C@H](C#N)OCCN1CCSC[C@@H]1c1ccccc1 ZINC000801922365 630488851 /nfs/dbraw/zinc/48/88/51/630488851.db2.gz VHHCNMVJXKPYPS-UKRRQHHQSA-N 0 1 276.405 2.705 20 30 CFEDMN Cc1nc(C(C)(C)NCCO[C@@H](C)C#N)sc1C ZINC000801934215 630490760 /nfs/dbraw/zinc/49/07/60/630490760.db2.gz HUGPVXGSUCOLHH-VIFPVBQESA-N 0 1 267.398 2.513 20 30 CFEDMN CC[C@@](C)(NCCO[C@H](C)C#N)c1nc(C)cs1 ZINC000801934124 630490749 /nfs/dbraw/zinc/49/07/49/630490749.db2.gz GNPKHEUIRCPCAH-DGCLKSJQSA-N 0 1 267.398 2.595 20 30 CFEDMN C[C@@H](C#N)OCCN1CC=C(c2ccc(C#N)cc2)CC1 ZINC000801940505 630493034 /nfs/dbraw/zinc/49/30/34/630493034.db2.gz NOLFJHHMZKPBAV-AWEZNQCLSA-N 0 1 281.359 2.576 20 30 CFEDMN Cc1ccc([C@H](NCCO[C@H](C)C#N)c2ccccn2)cc1 ZINC000801951111 630494084 /nfs/dbraw/zinc/49/40/84/630494084.db2.gz AMCFIURAAGYXQL-QAPCUYQASA-N 0 1 295.386 2.998 20 30 CFEDMN C=CCN1CCN(CN2CCC[C@@H]2c2ccccc2)C1=O ZINC000839958287 630516563 /nfs/dbraw/zinc/51/65/63/630516563.db2.gz ZCFMHTVCKCIOED-MRXNPFEDSA-N 0 1 285.391 2.705 20 30 CFEDMN C#CCC(C)(C)C(=O)Nc1ccc2nc(N(C)C)[nH]c2c1 ZINC000802619142 630533354 /nfs/dbraw/zinc/53/33/54/630533354.db2.gz CEDSRRMPGLBGGO-UHFFFAOYSA-N 0 1 284.363 2.617 20 30 CFEDMN CC[C@H]1CN(CC)CCN1C(=O)/C=C/c1ccccc1C#N ZINC000836948047 630921924 /nfs/dbraw/zinc/92/19/24/630921924.db2.gz NMEHBCRUJOJDSP-FVNWOWOISA-N 0 1 297.402 2.514 20 30 CFEDMN C[C@H]1CN=C(NN=C(CCC(C)(C)C)c2cscn2)N1 ZINC000807981486 630929627 /nfs/dbraw/zinc/92/96/27/630929627.db2.gz ODDNATJTZUTHKG-JTQLQIEISA-N 0 1 293.440 2.611 20 30 CFEDMN Cc1ccccc1-n1cc(C=NNc2ncccc2C)nn1 ZINC000807984448 630930412 /nfs/dbraw/zinc/93/04/12/630930412.db2.gz QDBOVNHATNZEHS-UHFFFAOYSA-N 0 1 292.346 2.725 20 30 CFEDMN C[C@@H](CNC(=O)C#CC(C)(C)C)N1CCc2ccccc2C1 ZINC000837333052 631002517 /nfs/dbraw/zinc/00/25/17/631002517.db2.gz WCNLQQGFNWQOGI-HNNXBMFYSA-N 0 1 298.430 2.599 20 30 CFEDMN COc1ccc2c(c1F)CC[C@H]2NCc1ccc(C#N)cn1 ZINC000808716135 631034314 /nfs/dbraw/zinc/03/43/14/631034314.db2.gz RGODFEDRBBFXCV-OAHLLOKOSA-N 0 1 297.333 2.878 20 30 CFEDMN CN1CC[C@H](NC(=O)C#CC(C)(C)C)[C@H]1c1ccccc1 ZINC000837501239 631049587 /nfs/dbraw/zinc/04/95/87/631049587.db2.gz LUYRNVGULFDHED-DOTOQJQBSA-N 0 1 284.403 2.598 20 30 CFEDMN Cc1n[nH]c(C(F)F)c1NC(=O)C#CC(C)(C)C ZINC000837509318 631050573 /nfs/dbraw/zinc/05/05/73/631050573.db2.gz MPHVZXBPJYPWIQ-UHFFFAOYSA-N 0 1 255.268 2.644 20 30 CFEDMN CC[C@H](C(=O)OC[C@H]1CC[C@@H](C#N)CC1)N(CC)CC ZINC000809086958 631075326 /nfs/dbraw/zinc/07/53/26/631075326.db2.gz KGKOPSDIZYKWGT-QLFBSQMISA-N 0 1 280.412 2.980 20 30 CFEDMN C=CC[C@@H](NCc1cnc([C@@H](C)O)s1)c1ccncc1 ZINC000809621099 631248928 /nfs/dbraw/zinc/24/89/28/631248928.db2.gz VGFQCUOMGVRCFN-BXUZGUMPSA-N 0 1 289.404 2.998 20 30 CFEDMN N#Cc1ccc(CNc2nccn2C2CC2)c(F)c1 ZINC000840887419 631252171 /nfs/dbraw/zinc/25/21/71/631252171.db2.gz NXAYZXCKVBYTAG-UHFFFAOYSA-N 0 1 256.284 2.841 20 30 CFEDMN C#C[C@H](C)NCc1ccc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000809682837 631260944 /nfs/dbraw/zinc/26/09/44/631260944.db2.gz FOEOIWTYGSMQDH-NSHDSACASA-N 0 1 270.288 2.966 20 30 CFEDMN C#C[C@@H](CC)NCc1cc(OC)cc2c1O[C@H](C)C2 ZINC000809686550 631262534 /nfs/dbraw/zinc/26/25/34/631262534.db2.gz YEPMMVQUZWQVOD-RISCZKNCSA-N 0 1 259.349 2.520 20 30 CFEDMN C=CCOCC[NH2+]Cc1c([O-])cc(C)cc1Cl ZINC000840937118 631268339 /nfs/dbraw/zinc/26/83/39/631268339.db2.gz OVZAZAVYDSJCJH-UHFFFAOYSA-N 0 1 255.745 2.646 20 30 CFEDMN C#C[C@H](NCc1ccccc1OCCOC)C(C)(C)C ZINC000809781273 631288159 /nfs/dbraw/zinc/28/81/59/631288159.db2.gz MXYLLRUKXBIXCF-INIZCTEOSA-N 0 1 275.392 2.849 20 30 CFEDMN C#C[C@@H](NCc1ccccc1OCCOC)C(C)(C)C ZINC000809781274 631288406 /nfs/dbraw/zinc/28/84/06/631288406.db2.gz MXYLLRUKXBIXCF-MRXNPFEDSA-N 0 1 275.392 2.849 20 30 CFEDMN C[C@@H](C[C@@H](O)c1cccs1)NCc1nc(C#N)cs1 ZINC000810152038 631335537 /nfs/dbraw/zinc/33/55/37/631335537.db2.gz KVTHVCQRPASJQX-GXSJLCMTSA-N 0 1 293.417 2.678 20 30 CFEDMN C(=NNC1=N[C@@H]2CCCC[C@@H]2N1)c1ccc(C2CC2)cc1 ZINC000841633005 631437473 /nfs/dbraw/zinc/43/74/73/631437473.db2.gz MKWRMOHYRLGSHW-IYBDPMFKSA-N 0 1 282.391 2.758 20 30 CFEDMN N#CC1(CNCc2cc(Br)ccc2O)CCC1 ZINC000841897989 631490214 /nfs/dbraw/zinc/49/02/14/631490214.db2.gz JWHFKIGLCZEWSK-UHFFFAOYSA-N 0 1 295.180 2.938 20 30 CFEDMN CC[C@@H](CC1CCCC1)C(=O)C(C#N)C(=O)NC(C)C ZINC000842288629 631580391 /nfs/dbraw/zinc/58/03/91/631580391.db2.gz KLDATUJELXTUGR-KBPBESRZSA-N 0 1 278.396 2.826 20 30 CFEDMN CN(C)c1cc(Cl)cc(Cl)c1C=[NH+][N-]c1nnc[nH]1 ZINC000811650454 631593201 /nfs/dbraw/zinc/59/32/01/631593201.db2.gz ZPERUCXZTXANRF-UHFFFAOYSA-N 0 1 299.165 2.624 20 30 CFEDMN FC(F)(F)c1cc(C=NOC/C=C\Cl)[nH]n1 ZINC000811667852 631603221 /nfs/dbraw/zinc/60/32/21/631603221.db2.gz FLEJQWXDMVABBU-XCTQOWDCSA-N 0 1 253.611 2.532 20 30 CFEDMN C=CC1CCN(CN2CC[C@H](Cc3ccccc3)C2=O)CC1 ZINC000811745618 631616527 /nfs/dbraw/zinc/61/65/27/631616527.db2.gz KPAZPBBUPDSZMQ-GOSISDBHSA-N 0 1 298.430 2.933 20 30 CFEDMN C#CC[C@@H]1CCCN(Cn2ncc3cc([N+](=O)[O-])ccc32)C1 ZINC000842628189 631685772 /nfs/dbraw/zinc/68/57/72/631685772.db2.gz SUDQQAHLWMAFQV-CYBMUJFWSA-N 0 1 298.346 2.637 20 30 CFEDMN Cn1c2ccccc2nc1[C@H](C#N)C(=O)C1(C(F)F)CC1 ZINC000842678158 631702959 /nfs/dbraw/zinc/70/29/59/631702959.db2.gz YFEDIAMELMTCGJ-SECBINFHSA-N 0 1 289.285 2.795 20 30 CFEDMN C=CCNC(=O)C(C#N)C(=O)C[C@H](C)CCC=C(C)C ZINC000842687512 631706905 /nfs/dbraw/zinc/70/69/05/631706905.db2.gz XNNXFVQOWUEDNA-ZIAGYGMSSA-N 0 1 276.380 2.770 20 30 CFEDMN CC(=NNc1ccccc1F)c1cccc(-n2cnnn2)c1 ZINC000812461022 631722092 /nfs/dbraw/zinc/72/20/92/631722092.db2.gz ZDRGXJGYQRQZDM-UHFFFAOYSA-N 0 1 296.309 2.638 20 30 CFEDMN N#C[C@H](C(=O)[C@H]1CCCC[C@H]1C1CC1)c1ccncn1 ZINC000842759390 631731448 /nfs/dbraw/zinc/73/14/48/631731448.db2.gz VVNORAZDEMJGSB-IHRRRGAJSA-N 0 1 269.348 2.869 20 30 CFEDMN C#C[C@H](N[C@H]1CCCc2c(O)cccc21)[C@H]1CCCO1 ZINC000812731459 631764559 /nfs/dbraw/zinc/76/45/59/631764559.db2.gz LREUFRQYZTVUFA-YQQAZPJKSA-N 0 1 271.360 2.540 20 30 CFEDMN N#CC(C(=O)C=C[C@H]1CCOC1)c1nc(C2CC2)cs1 ZINC000842942602 631788123 /nfs/dbraw/zinc/78/81/23/631788123.db2.gz LKECGLYWILUQNA-WMTYHAALSA-N 0 1 288.372 2.789 20 30 CFEDMN N#C[C@H](C(=O)C=C[C@H]1CCOC1)c1nc(C2CC2)cs1 ZINC000842942602 631788127 /nfs/dbraw/zinc/78/81/27/631788127.db2.gz LKECGLYWILUQNA-WMTYHAALSA-N 0 1 288.372 2.789 20 30 CFEDMN C#CCN(CC(=O)N(C)Cc1ccccc1)C1CCCC1 ZINC000155724088 650029980 /nfs/dbraw/zinc/02/99/80/650029980.db2.gz CYWLUDHAHWUNJD-UHFFFAOYSA-N 0 1 284.403 2.523 20 30 CFEDMN CCC[C@H](NC[C@@H](C#N)CCC#N)[C@@H](O)c1ccccc1 ZINC000843085837 631830489 /nfs/dbraw/zinc/83/04/89/631830489.db2.gz CRCXHFAPTBCBLJ-PVAVHDDUSA-N 0 1 285.391 2.922 20 30 CFEDMN C#CCN(CC(=O)N1CCCC[C@H]1CC)C1CCCC1 ZINC000155868736 650035388 /nfs/dbraw/zinc/03/53/88/650035388.db2.gz SVRARJSDCGYEEP-OAHLLOKOSA-N 0 1 276.424 2.655 20 30 CFEDMN C#CCN(Cc1ccnn1CC(C)C)C1CCCC1 ZINC000843395812 631944939 /nfs/dbraw/zinc/94/49/39/631944939.db2.gz PUFBSCKFYCFHLF-UHFFFAOYSA-N 0 1 259.397 2.917 20 30 CFEDMN C#CC1CCN(Cc2cnc(C(C)(C)C)nc2)CC1 ZINC000843426777 631954374 /nfs/dbraw/zinc/95/43/74/631954374.db2.gz KFWTUMPVGRLTKC-UHFFFAOYSA-N 0 1 257.381 2.619 20 30 CFEDMN C#CC1CCN(Cc2ccnn2-c2ccccc2OC)CC1 ZINC000843426956 631954771 /nfs/dbraw/zinc/95/47/71/631954771.db2.gz OKHFROUJAZMDFI-UHFFFAOYSA-N 0 1 295.386 2.726 20 30 CFEDMN C#Cc1ccc(CN2CCOC[C@@H]2C2CCC2)cc1 ZINC000843428323 631955736 /nfs/dbraw/zinc/95/57/36/631955736.db2.gz GORSNNIZJDZHGK-QGZVFWFLSA-N 0 1 255.361 2.669 20 30 CFEDMN CCCCCCNC(=O)C(C#N)C(=O)C1CC2(CCC2)C1 ZINC000842683937 632019974 /nfs/dbraw/zinc/01/99/74/632019974.db2.gz UDTSWYXQYBXBQW-AWEZNQCLSA-N 0 1 290.407 2.972 20 30 CFEDMN C(=NOCCC1CC1)c1ccc(N2CCCC2)nc1 ZINC000814244927 632044907 /nfs/dbraw/zinc/04/49/07/632044907.db2.gz FRORPFMYROTINN-UHFFFAOYSA-N 0 1 259.353 2.832 20 30 CFEDMN Cc1ccc(C(=O)OCc2nnc(C(C)(C)C)[nH]2)cc1C#N ZINC000814471225 632073478 /nfs/dbraw/zinc/07/34/78/632073478.db2.gz HVOGJXRYZZLYGB-UHFFFAOYSA-N 0 1 298.346 2.639 20 30 CFEDMN Cc1ccc(C(=O)OCc2n[nH]c(C(C)(C)C)n2)cc1C#N ZINC000814471225 632073481 /nfs/dbraw/zinc/07/34/81/632073481.db2.gz HVOGJXRYZZLYGB-UHFFFAOYSA-N 0 1 298.346 2.639 20 30 CFEDMN Fc1cc2c(c(F)c1)C(=NNc1ccc(Cl)nn1)CO2 ZINC000814698336 632110553 /nfs/dbraw/zinc/11/05/53/632110553.db2.gz ZVNCOVGCYSHPPS-UHFFFAOYSA-N 0 1 296.664 2.617 20 30 CFEDMN Clc1cccc2c1OCC2N=Nc1ccccn1 ZINC000814731473 632115246 /nfs/dbraw/zinc/11/52/46/632115246.db2.gz AVGVYLPRDCCTBL-UHFFFAOYSA-N 0 1 259.696 2.944 20 30 CFEDMN Clc1cccc2c1OCC2=N[N-]c1cccc[nH+]1 ZINC000814731473 632115248 /nfs/dbraw/zinc/11/52/48/632115248.db2.gz AVGVYLPRDCCTBL-UHFFFAOYSA-N 0 1 259.696 2.944 20 30 CFEDMN C#CCOCSc1nc(C=Cc2ccc(C)o2)n[nH]1 ZINC000814738532 632116441 /nfs/dbraw/zinc/11/64/41/632116441.db2.gz CFDZSHJQJQAWDD-VOTSOKGWSA-N 0 1 275.333 2.576 20 30 CFEDMN CC(N=Nc1ncnc2sccc21)c1ccc(N)nc1 ZINC000814765324 632119800 /nfs/dbraw/zinc/11/98/00/632119800.db2.gz BCSORJBIPIWTLM-UHFFFAOYSA-N 0 1 284.348 2.505 20 30 CFEDMN Cc1cc(N=NC2COc3ccc(Cl)cc32)nc(C)n1 ZINC000814807240 632128788 /nfs/dbraw/zinc/12/87/88/632128788.db2.gz MBQZAUJBTSFJIP-UHFFFAOYSA-N 0 1 288.738 2.955 20 30 CFEDMN Cc1cc(NN=Cc2ccc3oncc3c2)nc(C)n1 ZINC000814807470 632128822 /nfs/dbraw/zinc/12/88/22/632128822.db2.gz XPMMZZYBRGXBGN-UHFFFAOYSA-N 0 1 267.292 2.681 20 30 CFEDMN COc1ccc(F)c(CN=Nc2cc(C)nc(C)n2)c1 ZINC000814807444 632129070 /nfs/dbraw/zinc/12/90/70/632129070.db2.gz WCRCOTOZTYIFPV-UHFFFAOYSA-N 0 1 274.299 2.687 20 30 CFEDMN c1cc2c(s1)CCCC2=NNCCN1CCCCC1 ZINC000814808647 632129908 /nfs/dbraw/zinc/12/99/08/632129908.db2.gz QBJFZSRTWOOCAA-UHFFFAOYSA-N 0 1 277.437 2.864 20 30 CFEDMN COCc1cnc(CN=Nc2cnnc3ccccc23)s1 ZINC000814849333 632137831 /nfs/dbraw/zinc/13/78/31/632137831.db2.gz QLPVESCVVVMZAZ-UHFFFAOYSA-N 0 1 299.359 2.679 20 30 CFEDMN C[C@@H]1C(N=Nc2cccnn2)CCCN1Cc1ccccc1 ZINC000814852915 632138634 /nfs/dbraw/zinc/13/86/34/632138634.db2.gz UOMLLOJKKCGSTL-CQSZACIVSA-N 0 1 295.390 2.929 20 30 CFEDMN CC(N=Nc1c(Cl)cccc1Cl)c1cnnn1C ZINC000814871883 632144225 /nfs/dbraw/zinc/14/42/25/632144225.db2.gz MYCDZBIZAHUTIY-UHFFFAOYSA-N 0 1 284.150 2.958 20 30 CFEDMN CSc1ccc(C=NNC2=N[C@@H]3CCCC[C@H]3N2)s1 ZINC000814886056 632149272 /nfs/dbraw/zinc/14/92/72/632149272.db2.gz PZNWULIWZRRJJS-GHMZBOCLSA-N 0 1 294.449 2.664 20 30 CFEDMN COC[C@H](C)N=NC1CCCN(Cc2ccccc2)[C@H]1C ZINC000814895614 632152437 /nfs/dbraw/zinc/15/24/37/632152437.db2.gz PCHMXUNMAGANRA-GJZGRUSLSA-N 0 1 289.423 2.651 20 30 CFEDMN COc1cccc(NN=Cc2ccc(Cl)o2)n1 ZINC000814900393 632154797 /nfs/dbraw/zinc/15/47/97/632154797.db2.gz RCOLZHBNFYXWFY-UHFFFAOYSA-N 0 1 251.673 2.783 20 30 CFEDMN Cc1c(C=NNc2nccn2C)n(C)c2ccccc12 ZINC000814918219 632164361 /nfs/dbraw/zinc/16/43/61/632164361.db2.gz HCGNZUZCHIOZGR-UHFFFAOYSA-N 0 1 267.336 2.666 20 30 CFEDMN CC1(C)CC(N=Nc2cncnc2)c2ccc(O)cc2O1 ZINC000814927109 632168663 /nfs/dbraw/zinc/16/86/63/632168663.db2.gz XIHQYKXXGIVUNO-UHFFFAOYSA-N 0 1 284.319 2.560 20 30 CFEDMN C=C(C)CNN=C1CC(C)(C)Oc2ccc(N)cc21 ZINC000814932580 632171236 /nfs/dbraw/zinc/17/12/36/632171236.db2.gz KCHQPLIQIPSLNC-UHFFFAOYSA-N 0 1 259.353 2.700 20 30 CFEDMN COC(=O)c1ccc(CN=Nc2ccc(F)c(F)c2F)[nH]1 ZINC000814945701 632176964 /nfs/dbraw/zinc/17/69/64/632176964.db2.gz MBKHHZVJASPZER-UHFFFAOYSA-N 0 1 297.236 2.665 20 30 CFEDMN CC(=NNc1ccc(F)c(F)c1F)c1cn(C)nc1C ZINC000814945327 632177126 /nfs/dbraw/zinc/17/71/26/632177126.db2.gz AJFKWLGACWWQHS-UHFFFAOYSA-N 0 1 282.269 2.982 20 30 CFEDMN Cc1n[nH]c(C)c1CN=Nc1ccc(F)c(F)c1F ZINC000814945857 632178226 /nfs/dbraw/zinc/17/82/26/632178226.db2.gz UCAVIMMLZUNFHE-UHFFFAOYSA-N 0 1 268.242 2.890 20 30 CFEDMN CCc1noc(C)c1CN(C)C[C@H](O)c1cccc(C#N)c1 ZINC000844369652 632182218 /nfs/dbraw/zinc/18/22/18/632182218.db2.gz MYTMWYXZBNFDQS-KRWDZBQOSA-N 0 1 299.374 2.583 20 30 CFEDMN CC(N=Nc1cnnn1C)c1ccc(Cl)cc1Cl ZINC000814980414 632184080 /nfs/dbraw/zinc/18/40/80/632184080.db2.gz MMZDZQLGESKJMJ-UHFFFAOYSA-N 0 1 284.150 2.958 20 30 CFEDMN Cn1nncc1N=NCc1cccc(OC2CCCC2)c1 ZINC000814980934 632184091 /nfs/dbraw/zinc/18/40/91/632184091.db2.gz PMLRVZFPSOUHFO-UHFFFAOYSA-N 0 1 285.351 2.583 20 30 CFEDMN CC(N=Nc1cnnn1C)c1cc(Cl)cc(Cl)c1 ZINC000814982526 632185387 /nfs/dbraw/zinc/18/53/87/632185387.db2.gz DICXEPOQXQUCOY-UHFFFAOYSA-N 0 1 284.150 2.958 20 30 CFEDMN Cn1nncc1N=NC(CCC(C)(C)C)c1cscn1 ZINC000814983856 632185545 /nfs/dbraw/zinc/18/55/45/632185545.db2.gz QYCJHHSZBHHHIR-UHFFFAOYSA-N 0 1 292.412 2.914 20 30 CFEDMN C#CCNC(=O)CCN(C)Cc1ccc(Cl)cc1Cl ZINC000815010716 632187616 /nfs/dbraw/zinc/18/76/16/632187616.db2.gz OFWXEESYGBHPEM-UHFFFAOYSA-N 0 1 299.201 2.565 20 30 CFEDMN CC[C@H]1CN(Cc2ccc(OCC#N)cc2)[C@@H](CC)CO1 ZINC000844386192 632189468 /nfs/dbraw/zinc/18/94/68/632189468.db2.gz HHUBUEDZSNPDCW-HOTGVXAUSA-N 0 1 288.391 2.978 20 30 CFEDMN C#C[C@H](NCc1ccc(C(C)C)nc1C)[C@H]1CCCO1 ZINC000815093445 632200656 /nfs/dbraw/zinc/20/06/56/632200656.db2.gz KJYVXTJUNOJINL-DOTOQJQBSA-N 0 1 272.392 2.784 20 30 CFEDMN C=C(C)CN(CC)C(=O)CN1CCC[C@@]2(CC2(F)F)C1 ZINC000844432980 632209229 /nfs/dbraw/zinc/20/92/29/632209229.db2.gz BXTJMVUYQJRPGM-CQSZACIVSA-N 0 1 286.366 2.532 20 30 CFEDMN C=CCN(CC=C)C(=O)[C@@H](C)N1CCC[C@@]2(CC2(F)F)C1 ZINC000844436922 632210380 /nfs/dbraw/zinc/21/03/80/632210380.db2.gz IZRDPFJAOGZGCR-UKRRQHHQSA-N 0 1 298.377 2.697 20 30 CFEDMN C=CCN(CC=C)C(=O)[C@@H](C)N1CCC[C@]2(CC2(F)F)C1 ZINC000844436921 632210703 /nfs/dbraw/zinc/21/07/03/632210703.db2.gz IZRDPFJAOGZGCR-HIFRSBDPSA-N 0 1 298.377 2.697 20 30 CFEDMN C=C[C@H](C)ON=C1CCN(Cc2ccccn2)C[C@H]1C ZINC000844623119 632266949 /nfs/dbraw/zinc/26/69/49/632266949.db2.gz FGCLMCRKVASDMY-KGLIPLIRSA-N 0 1 273.380 2.871 20 30 CFEDMN C=C[C@H](C)ON=C(C)c1cccc(N2CCOCC2)c1 ZINC000844626094 632268839 /nfs/dbraw/zinc/26/88/39/632268839.db2.gz XPJUTCFEWUMSKC-ZDUSSCGKSA-N 0 1 274.364 2.838 20 30 CFEDMN CC(C)(CC(=O)[C@H](C#N)C(=O)NC1CCCC1)C1CC1 ZINC000815913520 632332421 /nfs/dbraw/zinc/33/24/21/632332421.db2.gz UIVFTHCRHJFXRG-ZDUSSCGKSA-N 0 1 276.380 2.580 20 30 CFEDMN N#CC(C(=O)Nc1ccccn1)C(=O)[C@H]1CC2CCC1CC2 ZINC000815915445 632333194 /nfs/dbraw/zinc/33/31/94/632333194.db2.gz OWVATDMFOBOIQR-HOAMVYINSA-N 0 1 297.358 2.555 20 30 CFEDMN CCc1ccc(NC(=O)C(C#N)C(=O)c2ncoc2C)cc1 ZINC000105757405 632363439 /nfs/dbraw/zinc/36/34/39/632363439.db2.gz FBEHNJQOFOJYGS-CYBMUJFWSA-N 0 1 297.314 2.507 20 30 CFEDMN N#CC(C(=O)CC1(C#N)CC1)c1cc(C(F)(F)F)ccn1 ZINC000816092613 632371069 /nfs/dbraw/zinc/37/10/69/632371069.db2.gz KCLDKVULHDWSCU-SNVBAGLBSA-N 0 1 293.248 2.971 20 30 CFEDMN Cc1cc(C(C#N)C(=O)[C@@H]2C[C@H]2C2CCC2)nc(C)n1 ZINC000845444247 632436193 /nfs/dbraw/zinc/43/61/93/632436193.db2.gz NZAHWDIIKKOJDD-BFHYXJOUSA-N 0 1 269.348 2.706 20 30 CFEDMN C=CC[C@@H](CO)C[NH2+]Cc1ccc2ccccc2c1[O-] ZINC000816560725 632484480 /nfs/dbraw/zinc/48/44/80/632484480.db2.gz YJPGIYMQJNGVBZ-CYBMUJFWSA-N 0 1 271.360 2.820 20 30 CFEDMN N#CC(C(=O)C1CC=CC1)=C(O)C1(c2ccccc2)CC1 ZINC000845842115 632578152 /nfs/dbraw/zinc/57/81/52/632578152.db2.gz RHEJZCZVSWRZML-OAHLLOKOSA-N 0 1 279.339 2.962 20 30 CFEDMN Nc1ccc2c(c1)C(=NNCCc1ccncc1)CCCC2 ZINC000817328175 632603249 /nfs/dbraw/zinc/60/32/49/632603249.db2.gz ZLIOQACJNHLGTM-UHFFFAOYSA-N 0 1 294.402 2.927 20 30 CFEDMN COc1ccc(O)c(CNCC2(C#N)CCCC2)c1 ZINC000846010053 632613757 /nfs/dbraw/zinc/61/37/57/632613757.db2.gz HLUKTJKXWJMLPR-UHFFFAOYSA-N 0 1 260.337 2.574 20 30 CFEDMN CC(C)(C(=O)NOCCC1CC1)c1cc(F)cc(C#N)c1 ZINC000817446095 632637583 /nfs/dbraw/zinc/63/75/83/632637583.db2.gz GWPLVOPKPQDLJB-UHFFFAOYSA-N 0 1 290.338 2.823 20 30 CFEDMN CN(CCC#N)c1ccc(CN2CCC[C@@H](F)C2)cc1 ZINC000846123538 632641717 /nfs/dbraw/zinc/64/17/17/632641717.db2.gz ZMMZKXASHHBLDS-OAHLLOKOSA-N 0 1 275.371 2.970 20 30 CFEDMN C=CC[N@H+](CCCOc1c(C)cccc1C)CC(=O)[O-] ZINC000846263147 632677213 /nfs/dbraw/zinc/67/72/13/632677213.db2.gz BKBFTVUREWGYLT-UHFFFAOYSA-N 0 1 277.364 2.645 20 30 CFEDMN C=C(C)CONC(=O)[C@H](C)[C@H]1OCCc2sccc21 ZINC000846534306 632724006 /nfs/dbraw/zinc/72/40/06/632724006.db2.gz OYQUKJVAZRKRGJ-ZWNOBZJWSA-N 0 1 281.377 2.622 20 30 CFEDMN C=C[C@@H](C)ONC(=O)[C@@H]1CCSc2ccccc21 ZINC000846545855 632734519 /nfs/dbraw/zinc/73/45/19/632734519.db2.gz JAOGYYAFKROVNM-ZYHUDNBSSA-N 0 1 263.362 2.888 20 30 CFEDMN Cn1c(Cl)nc(Cl)c1CN[C@@H]1CC[C@H](C#N)C1 ZINC000818230061 632816732 /nfs/dbraw/zinc/81/67/32/632816732.db2.gz BIBUWJGRRXGBQR-JGVFFNPUSA-N 0 1 273.167 2.509 20 30 CFEDMN CC(=O)C1CCN(Cc2ccc(C#N)c(C)c2)CC1 ZINC000846945087 632854824 /nfs/dbraw/zinc/85/48/24/632854824.db2.gz WZHBJAPMBQIHGA-UHFFFAOYSA-N 0 1 256.349 2.668 20 30 CFEDMN C#C[C@H]1CCCN([C@@H](C(=O)N(CC)CC)c2ccccc2)C1 ZINC000847021666 632885775 /nfs/dbraw/zinc/88/57/75/632885775.db2.gz AIQPQOMMDPJZOW-FUHWJXTLSA-N 0 1 298.430 2.941 20 30 CFEDMN C#C[C@H]1CCCN(C[C@@H](O)c2cccc(Cl)c2)C1 ZINC000847023914 632889696 /nfs/dbraw/zinc/88/96/96/632889696.db2.gz GJRPKKVATJWSLY-SWLSCSKDSA-N 0 1 263.768 2.719 20 30 CFEDMN C#C[C@H]1CCCN(Cc2cc(F)cc(C(C)=O)c2O)C1 ZINC000847025201 632890533 /nfs/dbraw/zinc/89/05/33/632890533.db2.gz NFWRLCZSWKXTKN-LBPRGKRZSA-N 0 1 275.323 2.579 20 30 CFEDMN C#C[C@@H]1CCCN([C@@H](C)C(=O)Nc2ccccc2CC)C1 ZINC000847025099 632890822 /nfs/dbraw/zinc/89/08/22/632890822.db2.gz UYRXOHZLORPXOV-LSDHHAIUSA-N 0 1 284.403 2.921 20 30 CFEDMN C#C[C@@H]1CCCN([C@@H](C)C(=O)Nc2ccccc2C)C1 ZINC000847031076 632895760 /nfs/dbraw/zinc/89/57/60/632895760.db2.gz SHEPUAGDDJLRBV-LSDHHAIUSA-N 0 1 270.376 2.667 20 30 CFEDMN C#C[C@@H]1CCCN([C@@H](C)C(=O)N[C@H](C)c2ccccc2)C1 ZINC000847031874 632896639 /nfs/dbraw/zinc/89/66/39/632896639.db2.gz VDXQUVGSNLVUCC-OWCLPIDISA-N 0 1 284.403 2.598 20 30 CFEDMN C#C[C@H]1CCCN([C@@H](C)C(=O)Nc2cccc(C)c2)C1 ZINC000847031845 632897018 /nfs/dbraw/zinc/89/70/18/632897018.db2.gz VBUCDLRYGWSCOS-GJZGRUSLSA-N 0 1 270.376 2.667 20 30 CFEDMN C#C[C@H]1CCCN(CC(=O)NC2CCCCCCC2)C1 ZINC000847034887 632898772 /nfs/dbraw/zinc/89/87/72/632898772.db2.gz XBQSUKMFJBCKLT-HNNXBMFYSA-N 0 1 276.424 2.561 20 30 CFEDMN C=C(Br)CNC[C@H](O)c1ccc(C)cc1 ZINC000818979611 632920933 /nfs/dbraw/zinc/92/09/33/632920933.db2.gz RVAVBNRRSVXBCB-LBPRGKRZSA-N 0 1 270.170 2.527 20 30 CFEDMN C#CC[C@@H](NC[C@@](C)(O)C(F)(F)F)c1ccccc1 ZINC000819192467 633010474 /nfs/dbraw/zinc/01/04/74/633010474.db2.gz YRKMFKKBVQUHIW-CHWSQXEVSA-N 0 1 271.282 2.654 20 30 CFEDMN N#CC(C(=O)CCC1CCCCCC1)C(=O)NC1CC1 ZINC000847624794 633011106 /nfs/dbraw/zinc/01/11/06/633011106.db2.gz YFRQXDBNEDJGMR-CQSZACIVSA-N 0 1 276.380 2.724 20 30 CFEDMN CC(C)(C#N)CNC[C@H](O)c1cccc(Br)c1 ZINC000819218858 633024760 /nfs/dbraw/zinc/02/47/60/633024760.db2.gz LZUXLGNHKVKUKV-LBPRGKRZSA-N 0 1 297.196 2.622 20 30 CFEDMN C[C@H](C#N)Oc1ccccc1NC(=O)[C@@H](C)Cc1cnc[nH]1 ZINC000847693825 633043191 /nfs/dbraw/zinc/04/31/91/633043191.db2.gz ZIVCNJHPUPECOY-NWDGAFQWSA-N 0 1 298.346 2.518 20 30 CFEDMN C=C(C)[C@@H](CC(=O)OCc1cc(C2CC2)[nH]n1)OCC ZINC000848012042 633184523 /nfs/dbraw/zinc/18/45/23/633184523.db2.gz FMRLBUXSTMPKTL-CQSZACIVSA-N 0 1 278.352 2.702 20 30 CFEDMN C=C(C)CONC(=O)[C@@H]1CCCc2ccc(OC)cc21 ZINC000848246212 633223830 /nfs/dbraw/zinc/22/38/30/633223830.db2.gz WKWNJVZPWJZWAR-CQSZACIVSA-N 0 1 275.348 2.739 20 30 CFEDMN C#C[C@H]1CCCN(C(=O)[C@@H](c2ccccc2)N(CC)CC)C1 ZINC000848285007 633232828 /nfs/dbraw/zinc/23/28/28/633232828.db2.gz PWPIADGKFPNSBK-FUHWJXTLSA-N 0 1 298.430 2.941 20 30 CFEDMN CC1(C)C[C@H](NN=C2CCCN3CCCC[C@H]23)CCO1 ZINC000848408964 633251352 /nfs/dbraw/zinc/25/13/52/633251352.db2.gz HSKVHPBISPSVRR-UKRRQHHQSA-N 0 1 279.428 2.538 20 30 CFEDMN C#Cc1cccc(CN[C@H](C)c2cncnc2C)c1 ZINC000848553913 633287776 /nfs/dbraw/zinc/28/77/76/633287776.db2.gz ZQLSACWEBXPBTB-GFCCVEGCSA-N 0 1 251.333 2.617 20 30 CFEDMN N#C[C@H]1CCC[C@H](NCc2noc3ccccc23)C1 ZINC000848575526 633294949 /nfs/dbraw/zinc/29/49/49/633294949.db2.gz RTVLNOIRQASASF-RYUDHWBXSA-N 0 1 255.321 3.000 20 30 CFEDMN O=C(/C=C/c1cc2n(n1)CCCC2)c1ccc(O)cc1O ZINC000848639794 633305707 /nfs/dbraw/zinc/30/57/07/633305707.db2.gz DPMQTNDLZGIZPT-QPJJXVBHSA-N 0 1 284.315 2.527 20 30 CFEDMN O=C(/C=C\c1cc2n(n1)CCCC2)c1ccccc1O ZINC000848640871 633306926 /nfs/dbraw/zinc/30/69/26/633306926.db2.gz VXGLNTHQGFDASE-HJWRWDBZSA-N 0 1 268.316 2.821 20 30 CFEDMN C#C[C@H]1CCCN(c2cc[nH+]c3c([O-])cccc23)C1 ZINC000848750100 633334261 /nfs/dbraw/zinc/33/42/61/633334261.db2.gz BWUVJGTYZLQAQX-LBPRGKRZSA-N 0 1 252.317 2.790 20 30 CFEDMN C#C[C@H]1CCCN(Cc2cc3c(cc2OC)C[C@H](C)O3)C1 ZINC000848923149 633404803 /nfs/dbraw/zinc/40/48/03/633404803.db2.gz HFXQGCKTMMSGCW-KBPBESRZSA-N 0 1 285.387 2.864 20 30 CFEDMN C#C[C@@H]1CCCN(Cc2nn(CC)c3ccccc23)C1 ZINC000848923750 633406438 /nfs/dbraw/zinc/40/64/38/633406438.db2.gz JCBYKKMMSVFGPH-CQSZACIVSA-N 0 1 267.376 2.901 20 30 CFEDMN C#C[C@H]1CCCN(Cc2nn(CC)c3ccccc23)C1 ZINC000848923749 633406545 /nfs/dbraw/zinc/40/65/45/633406545.db2.gz JCBYKKMMSVFGPH-AWEZNQCLSA-N 0 1 267.376 2.901 20 30 CFEDMN O=C(/C=C/c1ccnn1CC1CC1)c1ccc(O)cc1O ZINC000849247071 633589759 /nfs/dbraw/zinc/58/97/59/633589759.db2.gz PFLCKNKAMDQCOM-ZZXKWVIFSA-N 0 1 284.315 2.600 20 30 CFEDMN C#CC[C@@H]1CCC[N@H+]([C@@H](C(=O)[O-])c2ccsc2)C1 ZINC000849344267 633623208 /nfs/dbraw/zinc/62/32/08/633623208.db2.gz HDPPOOUAHKJYMS-DGCLKSJQSA-N 0 1 263.362 2.609 20 30 CFEDMN C=CCCn1cc(CNC[C@]2(C)CC2(Cl)Cl)nn1 ZINC000850315751 633939458 /nfs/dbraw/zinc/93/94/58/633939458.db2.gz LMXKYBSEUGVLEC-NSHDSACASA-N 0 1 289.210 2.528 20 30 CFEDMN COc1cc(CN[C@H]2C[C@H](O)c3ccccc32)ccc1C#N ZINC000850373695 633963465 /nfs/dbraw/zinc/96/34/65/633963465.db2.gz ISPCKNMWRPDKPT-IRXDYDNUSA-N 0 1 294.354 2.835 20 30 CFEDMN CCCCCCNC(=O)C(C#N)C(=O)[C@@H]1CCC[C@H]2C[C@H]21 ZINC000850752065 634079769 /nfs/dbraw/zinc/07/97/69/634079769.db2.gz KAMHZRSXNAEQES-GBJTYRQASA-N 0 1 290.407 2.828 20 30 CFEDMN Cc1cc(C(C#N)C(=O)[C@@H]2CCC[C@@H]3C[C@@H]32)nc(C)n1 ZINC000850754917 634080683 /nfs/dbraw/zinc/08/06/83/634080683.db2.gz ADGNFJPZGZCCCO-MQYQWHSLSA-N 0 1 269.348 2.706 20 30 CFEDMN N#CC(C(=O)NC1CCCC1)C(=O)C1CCC2(CC2)CC1 ZINC000850767441 634083685 /nfs/dbraw/zinc/08/36/85/634083685.db2.gz BBSBXGHTDIOAFJ-CQSZACIVSA-N 0 1 288.391 2.724 20 30 CFEDMN N#CC(C(=O)Nc1ccccn1)C(=O)C1CCC2(CC2)CC1 ZINC000850782605 634091926 /nfs/dbraw/zinc/09/19/26/634091926.db2.gz OLRIDKAMFHQOJH-CYBMUJFWSA-N 0 1 297.358 2.699 20 30 CFEDMN N#C[C@@H](C(=O)C1CC2(CC2)C1)c1cnc2ccccc2n1 ZINC000850986022 634166845 /nfs/dbraw/zinc/16/68/45/634166845.db2.gz MKUFHAQGFFBQLY-GFCCVEGCSA-N 0 1 277.327 2.996 20 30 CFEDMN C[C@H](CC(C)(C)C#N)OC(=O)c1ccc2cncn2c1 ZINC000851204213 634268823 /nfs/dbraw/zinc/26/88/23/634268823.db2.gz LZTZCOOUJDOSCR-LLVKDONJSA-N 0 1 271.320 2.819 20 30 CFEDMN C#Cc1cccnc1NC1CCN(Cc2ccccn2)CC1 ZINC000853186922 634927388 /nfs/dbraw/zinc/92/73/88/634927388.db2.gz MRNUACANYBIEOP-UHFFFAOYSA-N 0 1 292.386 2.534 20 30 CFEDMN C=CC1CCN(CN2C(=O)C[C@@H]2c2ccccc2)CC1 ZINC000111166519 634937714 /nfs/dbraw/zinc/93/77/14/634937714.db2.gz QCHFLWQFJRUPLE-MRXNPFEDSA-N 0 1 270.376 2.816 20 30 CFEDMN C[C@H](OC(=O)c1ccc(C(C)(C)C#N)cc1)c1nnc[nH]1 ZINC000853222975 634941769 /nfs/dbraw/zinc/94/17/69/634941769.db2.gz FBBWATWNEXDWMA-JTQLQIEISA-N 0 1 284.319 2.524 20 30 CFEDMN Cc1cc(=O)nc(NN=C2CCC[C@H]2Cc2ccccn2)[nH]1 ZINC000853254429 634953254 /nfs/dbraw/zinc/95/32/54/634953254.db2.gz VAIGJURKDRCDKR-LBPRGKRZSA-N 0 1 297.362 2.696 20 30 CFEDMN Fc1cccc(N=NCc2cn(C3CCC3)nn2)c1F ZINC000853312567 634965587 /nfs/dbraw/zinc/96/55/87/634965587.db2.gz ZCJDJWZHMVOHAZ-UHFFFAOYSA-N 0 1 277.278 2.727 20 30 CFEDMN Cc1cc[nH+]c([N-]N=Cc2c(C(F)(F)F)cnn2C)c1 ZINC000853317015 634966438 /nfs/dbraw/zinc/96/64/38/634966438.db2.gz LDNIAUGYCQFUBR-UHFFFAOYSA-N 0 1 283.257 2.588 20 30 CFEDMN C[C@@H]1CN(C2CC2)CC1N=Nc1ccc([N+](=O)[O-])cc1F ZINC000853397025 634993702 /nfs/dbraw/zinc/99/37/02/634993702.db2.gz TYBPSXXSZWKZOP-SECBINFHSA-N 0 1 292.314 2.616 20 30 CFEDMN CC(C)c1cnc(C=NNc2ccncc2F)s1 ZINC000853403511 634995643 /nfs/dbraw/zinc/99/56/43/634995643.db2.gz YWICQXXDFWXOAI-UHFFFAOYSA-N 0 1 264.329 2.669 20 30 CFEDMN CC(C)c1cnc(C=NN=c2cc[nH]cc2F)s1 ZINC000853403511 634995645 /nfs/dbraw/zinc/99/56/45/634995645.db2.gz YWICQXXDFWXOAI-UHFFFAOYSA-N 0 1 264.329 2.669 20 30 CFEDMN CC(=NNc1nnc(C)n1C)c1csc(C(C)C)n1 ZINC000853432396 634997550 /nfs/dbraw/zinc/99/75/50/634997550.db2.gz UFLLNTRNADJAGF-UHFFFAOYSA-N 0 1 278.385 2.540 20 30 CFEDMN C#CCCCOc1cccnc1N[C@H]1C[C@H](C)[N@H+](C2CC2)C1 ZINC000853435282 634998514 /nfs/dbraw/zinc/99/85/14/634998514.db2.gz JMPBSXWTNAEGFK-GJZGRUSLSA-N 0 1 299.418 2.911 20 30 CFEDMN Cc1nn(-c2ccncc2)cc1C=NOCC1CCC1 ZINC000853439672 635000904 /nfs/dbraw/zinc/00/09/04/635000904.db2.gz NXFWYPLFKWAZEM-UHFFFAOYSA-N 0 1 270.336 2.726 20 30 CFEDMN C=CC[C@H]1CCCN(CN2C(=O)CC3(CCCC3)C2=O)C1 ZINC000853536768 635032127 /nfs/dbraw/zinc/03/21/27/635032127.db2.gz XTLIUARYODWFAW-AWEZNQCLSA-N 0 1 290.407 2.551 20 30 CFEDMN CC(C)C#CC(=O)NC[C@H](c1cccs1)N1CCCC1 ZINC000854309248 635282802 /nfs/dbraw/zinc/28/28/02/635282802.db2.gz LTDVKWCTTZTDFN-CQSZACIVSA-N 0 1 290.432 2.661 20 30 CFEDMN C=CC[C@H]1CCCN(C(=O)c2cc(Br)[nH]n2)C1 ZINC000855437663 635549743 /nfs/dbraw/zinc/54/97/43/635549743.db2.gz ZHLXFHZXFWFTFE-VIFPVBQESA-N 0 1 298.184 2.601 20 30 CFEDMN C=CCCO[N-]C(=O)[C@H]1CCCC[N@H+]1Cc1ccccc1 ZINC000856032159 635707566 /nfs/dbraw/zinc/70/75/66/635707566.db2.gz IYTWVEMHNWONMU-MRXNPFEDSA-N 0 1 288.391 2.665 20 30 CFEDMN Cn1cc(C=NNc2nccnc2C2CCC2)c(Cl)n1 ZINC000857209365 635946930 /nfs/dbraw/zinc/94/69/30/635946930.db2.gz DGGWDCMULPJYFD-UHFFFAOYSA-N 0 1 290.758 2.577 20 30 CFEDMN C(=[NH+][N-]c1nc2cccnc2s1)c1ccnn1CC1CC1 ZINC000857218967 635949021 /nfs/dbraw/zinc/94/90/21/635949021.db2.gz ZLACJCDQVUIUHH-UHFFFAOYSA-N 0 1 298.375 2.744 20 30 CFEDMN N#CC(C(=O)C[C@@H]1OCCc2ccccc21)c1ccccn1 ZINC000115903227 636138818 /nfs/dbraw/zinc/13/88/18/636138818.db2.gz JSNCZLCRKYHOGX-YJBOKZPZSA-N 0 1 292.338 2.962 20 30 CFEDMN COC(=O)C1=CC[C@H](N[C@@H](C)c2ccc(C#N)cc2F)C1 ZINC000858473563 636260050 /nfs/dbraw/zinc/26/00/50/636260050.db2.gz PDCCFOCKFMVJGT-GWCFXTLKSA-N 0 1 288.322 2.610 20 30 CFEDMN COC(=O)C1=CC[C@@H](N[C@@H](C)c2ccc(C#N)cc2F)C1 ZINC000858473584 636260277 /nfs/dbraw/zinc/26/02/77/636260277.db2.gz PDCCFOCKFMVJGT-GXFFZTMASA-N 0 1 288.322 2.610 20 30 CFEDMN COC(=O)C1=CC[C@H](N[C@H](C)c2ccc(C#N)cc2F)C1 ZINC000858473586 636260645 /nfs/dbraw/zinc/26/06/45/636260645.db2.gz PDCCFOCKFMVJGT-MFKMUULPSA-N 0 1 288.322 2.610 20 30 CFEDMN C=CC[C@@H]1CCN(Cc2cnn(-c3ccccc3)n2)C1 ZINC000859444430 636564966 /nfs/dbraw/zinc/56/49/66/636564966.db2.gz NQSMEVIWFVBTCI-CQSZACIVSA-N 0 1 268.364 2.665 20 30 CFEDMN C=CC[C@H]1CCN(CC(=O)Nc2ccc(Cl)nc2)C1 ZINC000859446405 636566090 /nfs/dbraw/zinc/56/60/90/636566090.db2.gz ZHRASAWVCBHZSW-NSHDSACASA-N 0 1 279.771 2.572 20 30 CFEDMN C=CC[C@@H]1CCN(Cc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])C1 ZINC000859445792 636566226 /nfs/dbraw/zinc/56/62/26/636566226.db2.gz OVFURVCDCIVGMN-LLVKDONJSA-N 0 1 291.307 2.901 20 30 CFEDMN C[C@H](C#N)OCCN1CCc2cc(C(F)(F)F)ccc2C1 ZINC000859907409 636740812 /nfs/dbraw/zinc/74/08/12/636740812.db2.gz YGILHFFGOGNUKN-LLVKDONJSA-N 0 1 298.308 2.992 20 30 CFEDMN CCCCCNC(=O)C(C#N)C(=O)C[C@H](C)C(F)(F)F ZINC000860463958 636891158 /nfs/dbraw/zinc/89/11/58/636891158.db2.gz LARMMZXKBGXHES-UWVGGRQHSA-N 0 1 292.301 2.590 20 30 CFEDMN CCCC[C@H](CC)CC(=O)[C@H](C#N)C(=O)NC(C)C ZINC000117532476 636896081 /nfs/dbraw/zinc/89/60/81/636896081.db2.gz RCKUHXKPMQPLPZ-STQMWFEESA-N 0 1 266.385 2.826 20 30 CFEDMN N#CC(C(=O)C12CC(C1)C2)=C(O)C1(c2ccccc2)CC1 ZINC000860853529 636990276 /nfs/dbraw/zinc/99/02/76/636990276.db2.gz JRNSUVDWMDTKLU-TVIZTDCDSA-N 0 1 279.339 2.796 20 30 CFEDMN C=CC[C@@H](C)OC(=O)[C@]1(F)CCN(C(C)(C)C)C1 ZINC000860896738 637005475 /nfs/dbraw/zinc/00/54/75/637005475.db2.gz QKMMIEBDPWVNFM-RISCZKNCSA-N 0 1 257.349 2.707 20 30 CFEDMN C#CCN(CC)Cc1ccc(OC)c(OC2CC2)c1 ZINC000862233757 637293428 /nfs/dbraw/zinc/29/34/28/637293428.db2.gz RWNCDHCOVZQXAJ-UHFFFAOYSA-N 0 1 259.349 2.692 20 30 CFEDMN C#C[C@@H](NCc1cc(C)c(Br)cn1)C(C)C ZINC000862362697 637335609 /nfs/dbraw/zinc/33/56/09/637335609.db2.gz CRCCHLDCYZPULQ-CYBMUJFWSA-N 0 1 281.197 2.900 20 30 CFEDMN C#C[C@H](CC)NCc1cc(C)c(Br)cn1 ZINC000862363791 637336432 /nfs/dbraw/zinc/33/64/32/637336432.db2.gz UYQVZOOAKHEWGJ-SNVBAGLBSA-N 0 1 267.170 2.654 20 30 CFEDMN Cc1ccsc1CN1CCN(c2ccc(C#N)nc2)CC1 ZINC000862420936 637372564 /nfs/dbraw/zinc/37/25/64/637372564.db2.gz BYYPBCXAVNFOLZ-UHFFFAOYSA-N 0 1 298.415 2.645 20 30 CFEDMN C#CC[C@@H]1CCN(Cc2cc([N+](=O)[O-])ccc2OCC)C1 ZINC000862443516 637383908 /nfs/dbraw/zinc/38/39/08/637383908.db2.gz QHLRBZCAJINSFC-CYBMUJFWSA-N 0 1 288.347 2.839 20 30 CFEDMN C#CC[C@H]1CC[N@H+](Cc2cc(Cl)cc([N+](=O)[O-])c2[O-])C1 ZINC000862445130 637385856 /nfs/dbraw/zinc/38/58/56/637385856.db2.gz MJINFCKUFQQVKD-JTQLQIEISA-N 0 1 294.738 2.799 20 30 CFEDMN C#CC[C@H]1CCN(Cc2nc3c(s2)CCCC3)C1 ZINC000862445127 637386006 /nfs/dbraw/zinc/38/60/06/637386006.db2.gz MIIJJUKUDOMBLH-LBPRGKRZSA-N 0 1 260.406 2.867 20 30 CFEDMN C#CC[C@@H]1CCN(C(=O)c2cc(-c3cccs3)[nH]n2)C1 ZINC000862562986 637430450 /nfs/dbraw/zinc/43/04/50/637430450.db2.gz HLBNHONCULGULX-LLVKDONJSA-N 0 1 285.372 2.624 20 30 CFEDMN C#CC[C@@H]1CCN(C(=O)[C@@H](c2ccccc2)N(CC)CC)C1 ZINC000862566949 637432883 /nfs/dbraw/zinc/43/28/83/637432883.db2.gz WVOHSLFUAKHIPH-SJLPKXTDSA-N 0 1 298.430 2.941 20 30 CFEDMN C#CC[C@H]1CCN(C(=O)c2cn[nH]c2-c2ccccc2F)C1 ZINC000862568454 637435225 /nfs/dbraw/zinc/43/52/25/637435225.db2.gz CTHMYOIZFUDPCI-LBPRGKRZSA-N 0 1 297.333 2.701 20 30 CFEDMN CCOC(=O)C(C)(C)ON=C(CC)c1ccc(N)cc1 ZINC000863115850 637561639 /nfs/dbraw/zinc/56/16/39/637561639.db2.gz ANBGETILRRZAFG-UHFFFAOYSA-N 0 1 278.352 2.741 20 30 CFEDMN Cc1cnccc1NN=Cc1cnc([C@H]2CCCO2)s1 ZINC000863156769 637570573 /nfs/dbraw/zinc/57/05/73/637570573.db2.gz BGQWWZJVOMFZKR-CYBMUJFWSA-N 0 1 288.376 2.566 20 30 CFEDMN Cc1cnccc1NN=Cc1scnc1C1CC1 ZINC000863157726 637571792 /nfs/dbraw/zinc/57/17/92/637571792.db2.gz GWDLJEOOLPJZNO-UHFFFAOYSA-N 0 1 258.350 2.592 20 30 CFEDMN C=CCN1CC[C@@H](NC(=O)[C@@H](C)c2ccc(Cl)s2)C1 ZINC001015962168 651218343 /nfs/dbraw/zinc/21/83/43/651218343.db2.gz FHIANKVABPHGQN-WDEREUQCSA-N 0 1 298.839 2.882 20 30 CFEDMN N#CC1(CNC[C@H](O)c2ccc(F)cc2)CCCCC1 ZINC000863576371 637700254 /nfs/dbraw/zinc/70/02/54/637700254.db2.gz PIKCVIYTOFQOJA-HNNXBMFYSA-N 0 1 276.355 2.923 20 30 CFEDMN CC(C)NC(=O)C(C#N)C(=O)CC(C)(C)c1ccccc1 ZINC000119635127 637770413 /nfs/dbraw/zinc/77/04/13/637770413.db2.gz WEIJOEBFKVKVHW-CQSZACIVSA-N 0 1 286.375 2.588 20 30 CFEDMN C#Cc1cccc(N(C)C(=O)c2[nH]cnc2C(C)(C)C)c1 ZINC000865156137 638208812 /nfs/dbraw/zinc/20/88/12/638208812.db2.gz AQKGYCRNYBCBBI-UHFFFAOYSA-N 0 1 281.359 2.965 20 30 CFEDMN C[C@@H]1CCC[C@H](C(=O)C(C#N)C(=O)NC2CCCCC2)C1 ZINC000076826686 650406264 /nfs/dbraw/zinc/40/62/64/650406264.db2.gz WRPNXTIHAOFXDK-VNHYZAJKSA-N 0 1 290.407 2.970 20 30 CFEDMN C=CCOCCNCc1ccc(OC(F)F)cc1F ZINC000865523818 638394177 /nfs/dbraw/zinc/39/41/77/638394177.db2.gz GCZACZYYGFTAAF-UHFFFAOYSA-N 0 1 275.270 2.719 20 30 CFEDMN C#CCOc1cccc(NC(=O)c2[nH]cnc2C(C)(C)C)c1 ZINC000865602136 638452506 /nfs/dbraw/zinc/45/25/06/638452506.db2.gz ONOLZLVFQPICNN-UHFFFAOYSA-N 0 1 297.358 2.972 20 30 CFEDMN C#CC[C@@H](CCOC)NCc1nc(C(C)(C)C)cs1 ZINC000865646411 638485681 /nfs/dbraw/zinc/48/56/81/638485681.db2.gz PHAQKMUGVRDHHL-LBPRGKRZSA-N 0 1 280.437 2.959 20 30 CFEDMN C[C@@H]1[C@@H](C)N(c2cc(C(F)(F)F)cc(C#N)n2)CCN1C ZINC000865654334 638491358 /nfs/dbraw/zinc/49/13/58/638491358.db2.gz NKPRZIKRNPWWHH-NXEZZACHSA-N 0 1 298.312 2.501 20 30 CFEDMN CCCCNc1cc(C)nc(NCc2ccc(C#N)cn2)n1 ZINC000865709394 638527723 /nfs/dbraw/zinc/52/77/23/638527723.db2.gz UPDHHHAQCFYZHQ-UHFFFAOYSA-N 0 1 296.378 2.876 20 30 CFEDMN Cc1cc([C@@H](C)N[C@H]2Cc3ccc(C#N)cc3C2)no1 ZINC000866617804 638856133 /nfs/dbraw/zinc/85/61/33/638856133.db2.gz PTNBAMACYYROAV-ABAIWWIYSA-N 0 1 267.332 2.673 20 30 CFEDMN CCCCC[C@@H](C)NC(=O)[C@@H]1NCCc2cc(C#N)ccc21 ZINC000867942998 638907393 /nfs/dbraw/zinc/90/73/93/638907393.db2.gz JBUMKSJEAIYGBZ-CXAGYDPISA-N 0 1 299.418 2.830 20 30 CFEDMN C#CC[C@H]1CCCN(C(=O)c2c(Cl)[nH]nc2C2CC2)C1 ZINC000869073770 639023465 /nfs/dbraw/zinc/02/34/65/639023465.db2.gz MSEHJLGCWQIEBG-JTQLQIEISA-N 0 1 291.782 2.816 20 30 CFEDMN CCN(C[C@@H](C)C#N)C[C@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC000078047629 650472361 /nfs/dbraw/zinc/47/23/61/650472361.db2.gz BNTFIZFUAHFHCT-UONOGXRCSA-N 0 1 295.427 2.725 20 30 CFEDMN CCCC(N)=NOCCCOCCc1ccccc1 ZINC000122536847 639187347 /nfs/dbraw/zinc/18/73/47/639187347.db2.gz AQGRXVRMJAGGCB-UHFFFAOYSA-N 0 1 264.369 2.725 20 30 CFEDMN N#CC(C(=O)C1([C@@H]2CCCCO2)CCC1)c1ccccn1 ZINC000870136142 639527881 /nfs/dbraw/zinc/52/78/81/639527881.db2.gz IETLFVCMQBQOTO-HIFRSBDPSA-N 0 1 284.359 2.997 20 30 CFEDMN C[C@@H]1C[C@H](C(=O)C(C#N)c2nc3ccccc3o2)[C@@H](C)O1 ZINC000870162809 639530713 /nfs/dbraw/zinc/53/07/13/639530713.db2.gz NMELFPTVUAHVDY-WYUUTHIRSA-N 0 1 284.315 2.818 20 30 CFEDMN CCOC(C)(C)C(=O)C(C#N)c1cnc2ccccc2n1 ZINC000870314095 639594240 /nfs/dbraw/zinc/59/42/40/639594240.db2.gz DRPGLLJDVAYHKI-LLVKDONJSA-N 0 1 283.331 2.621 20 30 CFEDMN N#Cc1ccc2nc(NC(=O)C3CC4(CCC4)C3)[nH]c2c1 ZINC000871072767 641186246 /nfs/dbraw/zinc/18/62/46/641186246.db2.gz PDNWKDHOKFLQBO-UHFFFAOYSA-N 0 1 280.331 2.953 20 30 CFEDMN N#Cc1ccc2nc(NC(=O)[C@H]3CCCSC3)[nH]c2c1 ZINC000871072147 641186540 /nfs/dbraw/zinc/18/65/40/641186540.db2.gz IFLOUSSIVSKNPJ-JTQLQIEISA-N 0 1 286.360 2.516 20 30 CFEDMN CC1(C)CC(C(=O)Nc2nc3ccc(C#N)cc3[nH]2)C1 ZINC000871073046 641187187 /nfs/dbraw/zinc/18/71/87/641187187.db2.gz QRZLXNSMQLEJTI-UHFFFAOYSA-N 0 1 268.320 2.809 20 30 CFEDMN CC(C(=O)Nc1nc2ccc(C#N)cc2[nH]1)=C1CCC1 ZINC000871073226 641187259 /nfs/dbraw/zinc/18/72/59/641187259.db2.gz UGFOPBSINIUMDW-UHFFFAOYSA-N 0 1 266.304 2.873 20 30 CFEDMN CC#CCCCC(=O)Nc1nc2ccc(C#N)cc2[nH]1 ZINC000871073322 641187607 /nfs/dbraw/zinc/18/76/07/641187607.db2.gz XWEVKUMSQSPWKS-UHFFFAOYSA-N 0 1 266.304 2.567 20 30 CFEDMN C[C@H](C(=O)Nc1nc2ccc(C#N)cc2[nH]1)C(C)(F)F ZINC000871073356 641187845 /nfs/dbraw/zinc/18/78/45/641187845.db2.gz YYFGDYMPCDRWCL-SSDOTTSWSA-N 0 1 278.262 2.664 20 30 CFEDMN N#Cc1ccc2nc(NC(=O)[C@@H]3CCC[C@H]4C[C@H]43)[nH]c2c1 ZINC000871073315 641188363 /nfs/dbraw/zinc/18/83/63/641188363.db2.gz XOAQTNBNPQJBEN-QJPTWQEYSA-N 0 1 280.331 2.809 20 30 CFEDMN C[C@@H](C#N)Oc1ccc(CN2CCC(C#N)CC2)cc1 ZINC000123699331 641361616 /nfs/dbraw/zinc/36/16/16/641361616.db2.gz JGYDLHPWBGRNHD-ZDUSSCGKSA-N 0 1 269.348 2.713 20 30 CFEDMN C=CCN1C(=O)N=NC1SCSC(C)(C)C ZINC000871658015 641386426 /nfs/dbraw/zinc/38/64/26/641386426.db2.gz MSJKGPQZEJBKRV-UHFFFAOYSA-N 0 1 259.400 2.751 20 30 CFEDMN N#CCC[C@H](C#N)CNCCSCCC(F)(F)F ZINC000871920539 641513404 /nfs/dbraw/zinc/51/34/04/641513404.db2.gz CZZUCNPQIIMUBS-SNVBAGLBSA-N 0 1 279.331 2.705 20 30 CFEDMN N#CCC[C@H](C#N)CNCc1cccc2ncccc12 ZINC000871936199 641517964 /nfs/dbraw/zinc/51/79/64/641517964.db2.gz ZMYRLKPBCJCIEU-CYBMUJFWSA-N 0 1 264.332 2.768 20 30 CFEDMN CCC[C@H]1C(C)=NN(c2cc(C#N)cc(Cl)n2)C1=O ZINC000871955843 641528328 /nfs/dbraw/zinc/52/83/28/641528328.db2.gz ZHTKKWRJDUEZAC-JTQLQIEISA-N 0 1 276.727 2.745 20 30 CFEDMN C=C[C@@H]1OCC[C@H]1N[C@H](C)c1cc(O)ccc1F ZINC000872076418 641608944 /nfs/dbraw/zinc/60/89/44/641608944.db2.gz LEFFJYHGQFZGMV-FZQKWOKYSA-N 0 1 251.301 2.525 20 30 CFEDMN C=C(C)CC[N@H+]1CCc2c(C(=O)[O-])ccc(OC)c2C1 ZINC000872166980 641686968 /nfs/dbraw/zinc/68/69/68/641686968.db2.gz ZBDFZNJRNLTKST-UHFFFAOYSA-N 0 1 275.348 2.718 20 30 CFEDMN C=C(C)[C@H](NC[C@H](O)CC(C)(C)O)c1ccc(F)c(F)c1 ZINC000872206138 641701716 /nfs/dbraw/zinc/70/17/16/641701716.db2.gz PBNSOSCEKXJGQZ-DOMZBBRYSA-N 0 1 299.361 2.694 20 30 CFEDMN CC(C)(C)OC(=O)N1CC(C)(C)CC[C@@H]1CNCCC#N ZINC000872220417 641707617 /nfs/dbraw/zinc/70/76/17/641707617.db2.gz OFAZEEUIEZSUGP-CYBMUJFWSA-N 0 1 295.427 2.915 20 30 CFEDMN C[C@@H](c1ccc(C#N)cc1)N1CCN(C)c2ncccc2C1 ZINC000872318637 641755012 /nfs/dbraw/zinc/75/50/12/641755012.db2.gz LIFBMWRZYDSTRR-AWEZNQCLSA-N 0 1 292.386 2.966 20 30 CFEDMN Cc1cc(N=NCc2nc(C(C)(C)C)cs2)ncn1 ZINC000872351829 641762445 /nfs/dbraw/zinc/76/24/45/641762445.db2.gz SJTHYFYGJCGAJO-UHFFFAOYSA-N 0 1 275.381 2.985 20 30 CFEDMN Cc1scc(C=NNC2=N[C@@H]3CCCC[C@H]3N2)c1C ZINC000872359765 641767478 /nfs/dbraw/zinc/76/74/78/641767478.db2.gz OQVGXDCGFAWWFX-CHWSQXEVSA-N 0 1 276.409 2.559 20 30 CFEDMN C1CCC(ON=C2CCCN3CCSC[C@H]23)CC1 ZINC000872366075 641772205 /nfs/dbraw/zinc/77/22/05/641772205.db2.gz PELXNODQQOYYIT-CQSZACIVSA-N 0 1 268.426 2.903 20 30 CFEDMN COc1ccc(N=NCc2ccnn2CC2CCC2)nc1 ZINC000872367588 641773308 /nfs/dbraw/zinc/77/33/08/641773308.db2.gz AFXYZDMEALVDFT-UHFFFAOYSA-N 0 1 285.351 2.533 20 30 CFEDMN Cc1ccnc(N)c1C=NNCCCOCc1ccccc1 ZINC000872393699 641789166 /nfs/dbraw/zinc/78/91/66/641789166.db2.gz DZOJDFPKOMWZHK-UHFFFAOYSA-N 0 1 298.390 2.503 20 30 CFEDMN CC(C)c1cc([C@@H]2CCCN(c3cnc(C#N)cn3)C2)[nH]n1 ZINC000872649264 641886240 /nfs/dbraw/zinc/88/62/40/641886240.db2.gz VVPLQBVBZOKATJ-GFCCVEGCSA-N 0 1 296.378 2.579 20 30 CFEDMN C=C[C@H](C)NC(=O)N1CCC[C@@H](c2cc(C(C)C)[nH]n2)C1 ZINC000872934778 641966781 /nfs/dbraw/zinc/96/67/81/641966781.db2.gz FZNUVJRTXFFNMW-QWHCGFSZSA-N 0 1 290.411 2.997 20 30 CFEDMN C=CC(C)(C)CCCNC(=O)N[C@@H](C)Cc1cc(C)[nH]n1 ZINC000872943406 641968499 /nfs/dbraw/zinc/96/84/99/641968499.db2.gz BKGPRGAIMMIROC-LBPRGKRZSA-N 0 1 292.427 2.941 20 30 CFEDMN N#Cc1c(F)cccc1CNC[C@@H]1C[C@@H]2CCC[C@@H]2O1 ZINC000873155960 642038089 /nfs/dbraw/zinc/03/80/89/642038089.db2.gz QCJHUYGGUKWPAP-RBOXIYTFSA-N 0 1 274.339 2.745 20 30 CFEDMN CC(C)[C@@H](C(=O)OCC1(CC#N)CC1)N1CCCCC1 ZINC000125037400 642400148 /nfs/dbraw/zinc/40/01/48/642400148.db2.gz VYZYQGVMFVCNPX-AWEZNQCLSA-N 0 1 278.396 2.734 20 30 CFEDMN C#C[C@H]1CC[C@H](NC(=O)c2ccc(O)c(Cl)c2)CC1 ZINC000874866830 642537714 /nfs/dbraw/zinc/53/77/14/642537714.db2.gz WOVGYDNKYMJFBP-UMSPYCQHSA-N 0 1 277.751 2.967 20 30 CFEDMN Cc1cc(F)c(C#N)cc1NC(=O)[C@@H](C(C)C)N(C)C ZINC000874900636 642545803 /nfs/dbraw/zinc/54/58/03/642545803.db2.gz OYHWGDCVABUNJC-CQSZACIVSA-N 0 1 277.343 2.531 20 30 CFEDMN CN(C)c1ccc(CN(C)Cc2cccc(C#N)n2)cc1 ZINC000876511414 642900207 /nfs/dbraw/zinc/90/02/07/642900207.db2.gz HVGPMNNGOQGIOT-UHFFFAOYSA-N 0 1 280.375 2.651 20 30 CFEDMN C#CCCCCCCN1CCN(Cc2cc(C)no2)CC1 ZINC000876554846 642919578 /nfs/dbraw/zinc/91/95/78/642919578.db2.gz VQLDREJZZITUGW-UHFFFAOYSA-N 0 1 289.423 2.684 20 30 CFEDMN C#CCN(CC)Cc1cn(C)nc1-c1cc(F)ccc1F ZINC000876639339 642954397 /nfs/dbraw/zinc/95/43/97/642954397.db2.gz OEAIDAVBLUNXRO-UHFFFAOYSA-N 0 1 289.329 2.820 20 30 CFEDMN C[C@H](CCC#N)CN1CCN(C(=O)OC(C)(C)C)C[C@@H]1C ZINC000876644349 642956256 /nfs/dbraw/zinc/95/62/56/642956256.db2.gz WAUJDSGZXQDCOB-KGLIPLIRSA-N 0 1 295.427 2.867 20 30 CFEDMN C[C@@H](CCC#N)CNc1ccccc1N1CCN(C)CC1 ZINC000876831595 643031163 /nfs/dbraw/zinc/03/11/63/643031163.db2.gz HUHWVVXBPXWNDS-HNNXBMFYSA-N 0 1 286.423 2.790 20 30 CFEDMN C=CC[C@H](NCc1cc(C)c(C(=O)OC)[nH]1)c1ccncc1 ZINC000877046265 643118629 /nfs/dbraw/zinc/11/86/29/643118629.db2.gz KHWRVKGQFIHAMI-HNNXBMFYSA-N 0 1 299.374 2.912 20 30 CFEDMN CO[C@@H](CNCc1cc(C#N)cnc1Cl)C(C)(C)C ZINC000877067725 643132247 /nfs/dbraw/zinc/13/22/47/643132247.db2.gz MBEZTXCOGDNJCR-LBPRGKRZSA-N 0 1 281.787 2.757 20 30 CFEDMN N#Cc1ccc(F)c(CNC[C@@H]2CC2(Cl)Cl)c1 ZINC000877068415 643133013 /nfs/dbraw/zinc/13/30/13/643133013.db2.gz QZMIHBVMDYBLAW-JTQLQIEISA-N 0 1 273.138 2.981 20 30 CFEDMN Cc1cccc(C)c1CNCc1cccc(C#N)n1 ZINC000877112144 643156562 /nfs/dbraw/zinc/15/65/62/643156562.db2.gz QHRCZDKHDTXGSI-UHFFFAOYSA-N 0 1 251.333 2.860 20 30 CFEDMN C#C[C@@H](C)N(C)Cc1ccc2ccc(F)c(F)c2n1 ZINC000877479391 643295401 /nfs/dbraw/zinc/29/54/01/643295401.db2.gz CGJGSMXDANSKQQ-SNVBAGLBSA-N 0 1 260.287 2.967 20 30 CFEDMN C#CCn1ccc(CN(CC)Cc2c(C)cccc2O)n1 ZINC000877484424 643300637 /nfs/dbraw/zinc/30/06/37/643300637.db2.gz GFVQEEZWBGOYJA-UHFFFAOYSA-N 0 1 283.375 2.552 20 30 CFEDMN C#C[C@H](NCc1ccnn1CC1CCC1)C(C)(C)C ZINC000877535096 643337291 /nfs/dbraw/zinc/33/72/91/643337291.db2.gz ULRLOPWTQDACMC-HNNXBMFYSA-N 0 1 259.397 2.821 20 30 CFEDMN CC[C@@H](C)[C@H](CNCc1cc(C#N)cnc1Cl)OC ZINC000877559522 643359510 /nfs/dbraw/zinc/35/95/10/643359510.db2.gz YBFITSFHWHHCNU-MFKMUULPSA-N 0 1 281.787 2.757 20 30 CFEDMN CC[C@H](C)[C@H](CNCc1cc(C#N)cnc1Cl)OC ZINC000877559520 643360447 /nfs/dbraw/zinc/36/04/47/643360447.db2.gz YBFITSFHWHHCNU-GWCFXTLKSA-N 0 1 281.787 2.757 20 30 CFEDMN C#CCOc1ccc(CNCc2cc(C)ns2)cc1 ZINC000877568494 643368071 /nfs/dbraw/zinc/36/80/71/643368071.db2.gz PHCAYPBBJMDIKR-UHFFFAOYSA-N 0 1 272.373 2.753 20 30 CFEDMN CO[C@H](CNCc1cc(C#N)cnc1Cl)CC(C)C ZINC000877592980 643386002 /nfs/dbraw/zinc/38/60/02/643386002.db2.gz LPOJAIPGSVLLAH-ZDUSSCGKSA-N 0 1 281.787 2.757 20 30 CFEDMN N#CC(C(=O)NC1CC1)C(=O)[C@@H]1CC[C@@H]2CCCC[C@H]2C1 ZINC000245858055 650838617 /nfs/dbraw/zinc/83/86/17/650838617.db2.gz CTXYJIXFOSJBOF-XPCVCDNBSA-N 0 1 288.391 2.580 20 30 CFEDMN C#CC[C@H]1CCN(Cc2nccc(C)c2Br)C1 ZINC000877650880 643431860 /nfs/dbraw/zinc/43/18/60/643431860.db2.gz OYYMTDNSCYSSMA-LBPRGKRZSA-N 0 1 293.208 2.998 20 30 CFEDMN CC(C)c1ccccc1CN1CCN(CCC#N)CC1 ZINC000877748069 643527688 /nfs/dbraw/zinc/52/76/88/643527688.db2.gz PEOMHTHBTYSQQR-UHFFFAOYSA-N 0 1 271.408 2.841 20 30 CFEDMN C[C@H](CCC#N)CN1Cc2cccnc2N2CCC[C@H]2C1 ZINC000877762549 643541668 /nfs/dbraw/zinc/54/16/68/643541668.db2.gz LOZGUAVXZHAHDA-ZBFHGGJFSA-N 0 1 284.407 2.806 20 30 CFEDMN N#Cc1ccc2c(c1)C[C@H](NCc1nc(Cl)cs1)C2 ZINC000877766422 643545664 /nfs/dbraw/zinc/54/56/64/643545664.db2.gz BDEVGFRSAVLXIK-GFCCVEGCSA-N 0 1 289.791 2.925 20 30 CFEDMN CC[N@@H+](CC[C@](C#N)(C(C)=O)c1ccccc1)C1CC1 ZINC000877953697 643660985 /nfs/dbraw/zinc/66/09/85/643660985.db2.gz BHZFDQPCCAOFAO-KRWDZBQOSA-N 0 1 270.376 2.911 20 30 CFEDMN C=CC[C@@H](C)[N@H+]1Cc2c(OC)ccc(OC)c2[C@H](O)C1 ZINC000877964733 643666936 /nfs/dbraw/zinc/66/69/36/643666936.db2.gz SDCSGPYNQUNPDI-DGCLKSJQSA-N 0 1 277.364 2.517 20 30 CFEDMN C=CC[C@@H](C)N1Cc2c(OC)ccc(OC)c2[C@H](O)C1 ZINC000877964733 643666937 /nfs/dbraw/zinc/66/69/37/643666937.db2.gz SDCSGPYNQUNPDI-DGCLKSJQSA-N 0 1 277.364 2.517 20 30 CFEDMN C=C(C)CN(CC)C(=O)[C@H]1c2cn[nH]c2CC[C@@H]1C ZINC000878007173 643691174 /nfs/dbraw/zinc/69/11/74/643691174.db2.gz NQBFBZKHWQBZFL-SMDDNHRTSA-N 0 1 261.369 2.500 20 30 CFEDMN C=CC[C@@H](C)N1CCN(C(=O)c2c(F)cccc2F)CC1 ZINC000878045718 643710509 /nfs/dbraw/zinc/71/05/09/643710509.db2.gz LXYYEUIHYPOPFV-GFCCVEGCSA-N 0 1 294.345 2.687 20 30 CFEDMN C[C@H]1CCc2[nH]ncc2[C@@H]1C(=O)Nc1ccc(CC#N)cc1 ZINC000878072692 643722452 /nfs/dbraw/zinc/72/24/52/643722452.db2.gz JKUQGQDITHOPFJ-MEDUHNTESA-N 0 1 294.358 2.780 20 30 CFEDMN C=CC[C@H](C)N1CCO[C@H]([C@H](C)NC(=O)OC(C)(C)C)C1 ZINC000878193129 643787482 /nfs/dbraw/zinc/78/74/82/643787482.db2.gz TXJIDIDMPHOOSA-IHRRRGAJSA-N 0 1 298.427 2.565 20 30 CFEDMN CCCCCCNC(=O)C(C#N)C(=O)[C@H]1[C@@H]2CCCC[C@@H]21 ZINC000246371942 650866584 /nfs/dbraw/zinc/86/65/84/650866584.db2.gz AGYZRZRELTZJQT-LJISPDSOSA-N 0 1 290.407 2.828 20 30 CFEDMN C#CCCN1CCN(Cc2c(Cl)cncc2Cl)CC1 ZINC000878311836 643834413 /nfs/dbraw/zinc/83/44/13/643834413.db2.gz AVSDAFPFFRHMKP-UHFFFAOYSA-N 0 1 298.217 2.529 20 30 CFEDMN C=C(C)CN(C)CC[C@](C#N)(C(C)=O)c1ccccc1 ZINC000878383633 643867352 /nfs/dbraw/zinc/86/73/52/643867352.db2.gz UTSYDWWYDGHTJX-KRWDZBQOSA-N 0 1 270.376 2.935 20 30 CFEDMN Cc1ccc(C#N)cc1NC(=O)[C@H]1c2cn[nH]c2CC[C@@H]1C ZINC000878524994 643927338 /nfs/dbraw/zinc/92/73/38/643927338.db2.gz JOOBCEPJMFWODW-MEDUHNTESA-N 0 1 294.358 2.894 20 30 CFEDMN C=CC(C)(C)CC(=O)NCc1n[nH]c(-c2ccccc2)n1 ZINC000878588797 643949274 /nfs/dbraw/zinc/94/92/74/643949274.db2.gz ULIAPPXYMDONEG-UHFFFAOYSA-N 0 1 284.363 2.690 20 30 CFEDMN C=CC(C)(C)CC(=O)NCc1nc(-c2ccccc2)n[nH]1 ZINC000878588797 643949279 /nfs/dbraw/zinc/94/92/79/643949279.db2.gz ULIAPPXYMDONEG-UHFFFAOYSA-N 0 1 284.363 2.690 20 30 CFEDMN C[C@@H]1CCc2[nH]ncc2[C@@H]1C(=O)Nc1ccc(F)c(C#N)c1 ZINC000878707612 643999673 /nfs/dbraw/zinc/99/96/73/643999673.db2.gz VFJLLVIJUQIHBD-RFAUZJTJSA-N 0 1 298.321 2.725 20 30 CFEDMN C#CCCCCCN[C@@H](C)c1ncc(C(=O)OC)s1 ZINC000878727017 644009722 /nfs/dbraw/zinc/00/97/22/644009722.db2.gz KOBHXVROFCHZNE-NSHDSACASA-N 0 1 280.393 2.774 20 30 CFEDMN C[C@@H]1CN(CCOC2CCCCCC2)C[C@@H](C)N1CC#N ZINC000878774668 644022636 /nfs/dbraw/zinc/02/26/36/644022636.db2.gz VKBOEYVQOFGJPF-HZPDHXFCSA-N 0 1 293.455 2.644 20 30 CFEDMN C#CCCN1CCN([C@H](C)c2c(F)cccc2F)CC1 ZINC000127365120 644051445 /nfs/dbraw/zinc/05/14/45/644051445.db2.gz BVRXJANEGFQSCB-CYBMUJFWSA-N 0 1 278.346 2.667 20 30 CFEDMN C#CCCN1CC[NH+]([C@H](CC)c2ccc(F)cc2)CC1 ZINC000127419019 644080039 /nfs/dbraw/zinc/08/00/39/644080039.db2.gz UNKBRQJDMGSTLO-QGZVFWFLSA-N 0 1 274.383 2.918 20 30 CFEDMN C#CCCN1CCN([C@H](CC)c2ccc(F)cc2)CC1 ZINC000127419019 644080041 /nfs/dbraw/zinc/08/00/41/644080041.db2.gz UNKBRQJDMGSTLO-QGZVFWFLSA-N 0 1 274.383 2.918 20 30 CFEDMN CN(CCCNC(=O)OC(C)(C)C)[C@@H]1CCC[C@@H]1C#N ZINC000879309716 644217138 /nfs/dbraw/zinc/21/71/38/644217138.db2.gz PTAKHSKZFHUARP-CHWSQXEVSA-N 0 1 281.400 2.525 20 30 CFEDMN CN(CCCOc1ccc(C#N)cc1)[C@@H]1CCC[C@H]1C#N ZINC000879308527 644217312 /nfs/dbraw/zinc/21/73/12/644217312.db2.gz PYAXWYJEMJQPTL-DOTOQJQBSA-N 0 1 283.375 2.951 20 30 CFEDMN CN(C)c1ccc(CN(C)[C@@H]2CCC[C@H]2C#N)cc1 ZINC000879310615 644218919 /nfs/dbraw/zinc/21/89/19/644218919.db2.gz XOVFERANWRKJTD-GOEBONIOSA-N 0 1 257.381 2.877 20 30 CFEDMN C=CC(C)(C)CC(=O)N[C@H](C)c1n[nH]c(C(C)C)n1 ZINC000879334949 644236318 /nfs/dbraw/zinc/23/63/18/644236318.db2.gz HXVRBDBQVAMFLN-SNVBAGLBSA-N 0 1 264.373 2.708 20 30 CFEDMN Cc1ccc(C(=O)Nc2cc(C#N)ccc2O)c(O)c1 ZINC000091696009 650905853 /nfs/dbraw/zinc/90/58/53/650905853.db2.gz JZBRNKKPFYQVJH-UHFFFAOYSA-N 0 1 268.272 2.530 20 30 CFEDMN COc1cccc(CN2CCN([C@H]3CC[C@H](C#N)C3)CC2)c1 ZINC000879449930 644276351 /nfs/dbraw/zinc/27/63/51/644276351.db2.gz UNDMSLANHPBIJI-RDJZCZTQSA-N 0 1 299.418 2.505 20 30 CFEDMN C=CC(C)(C)CC(=O)NCCc1nnc(-c2ccccc2)[nH]1 ZINC000879486695 644289420 /nfs/dbraw/zinc/28/94/20/644289420.db2.gz PKOOCPDLBZZDKU-UHFFFAOYSA-N 0 1 298.390 2.733 20 30 CFEDMN N#Cc1cnccc1CNC1(CO)CCCCCCC1 ZINC000879497735 644291623 /nfs/dbraw/zinc/29/16/23/644291623.db2.gz FMZLLXVYYLWEJR-UHFFFAOYSA-N 0 1 273.380 2.518 20 30 CFEDMN Cc1oc(NC(=O)CN2C[C@@H]3CC=CC[C@@H]3C2)c(C#N)c1C ZINC000879528740 644305984 /nfs/dbraw/zinc/30/59/84/644305984.db2.gz LKDALIOBYIJKEB-OKILXGFUSA-N 0 1 299.374 2.605 20 30 CFEDMN N#Cc1ccc(F)c(CN2CC[C@H]3CSC[C@@H]3C2)c1 ZINC000879555038 644317248 /nfs/dbraw/zinc/31/72/48/644317248.db2.gz ILVVDHXMTLTFJA-JSGCOSHPSA-N 0 1 276.380 2.882 20 30 CFEDMN CC1(C)CC[C@H](CN2CCN(c3ccc(C#N)cc3)CC2)O1 ZINC000879586225 644341090 /nfs/dbraw/zinc/34/10/90/644341090.db2.gz ICECLEWKWKVYHC-QGZVFWFLSA-N 0 1 299.418 2.638 20 30 CFEDMN CCCCCCCCN1CC[C@@H]2CS(=O)(=O)C[C@H]2C1 ZINC000879934161 644465741 /nfs/dbraw/zinc/46/57/41/644465741.db2.gz YLANOHYXFABQFQ-HUUCEWRRSA-N 0 1 287.469 2.713 20 30 CFEDMN C[C@H](CCC#N)N1CC[C@@H](C(F)(F)F)O[C@H](C)C1 ZINC000880062312 644518923 /nfs/dbraw/zinc/51/89/23/644518923.db2.gz LBBALVIUZBSVBE-MXWKQRLJSA-N 0 1 264.291 2.720 20 30 CFEDMN C[C@H](CCC#N)N1CC[C@H](C(F)(F)F)O[C@H](C)C1 ZINC000880062310 644519032 /nfs/dbraw/zinc/51/90/32/644519032.db2.gz LBBALVIUZBSVBE-GMTAPVOTSA-N 0 1 264.291 2.720 20 30 CFEDMN C=CC(C)(C)CC(=O)NCc1ccc2nc[nH]c2c1 ZINC000880200914 644578350 /nfs/dbraw/zinc/57/83/50/644578350.db2.gz SBJAGPSEVNIFSK-UHFFFAOYSA-N 0 1 257.337 2.781 20 30 CFEDMN N#Cc1cccc(CN[C@@]2(c3ccccc3)C[C@@H](O)C2)c1 ZINC000880221435 644586517 /nfs/dbraw/zinc/58/65/17/644586517.db2.gz HPAJSVRZUZCAES-HDICACEKSA-N 0 1 278.355 2.698 20 30 CFEDMN C=CC(C)(C)CC(=O)N1CCN([C@@H](C)CC)CC1 ZINC000880231636 644592556 /nfs/dbraw/zinc/59/25/56/644592556.db2.gz VDFNBSGIGBMZNV-ZDUSSCGKSA-N 0 1 252.402 2.531 20 30 CFEDMN N#Cc1c(CN2CCC[C@@H](CF)C2)cn2ccccc12 ZINC000880236238 644597937 /nfs/dbraw/zinc/59/79/37/644597937.db2.gz YHEGHMXGVVYCIM-ZDUSSCGKSA-N 0 1 271.339 2.992 20 30 CFEDMN C=CC(C)(C)CC(=O)NCc1ccc2cncn2c1 ZINC000880268948 644619738 /nfs/dbraw/zinc/61/97/38/644619738.db2.gz ZBLHNJJHPFBOCD-UHFFFAOYSA-N 0 1 257.337 2.553 20 30 CFEDMN FC[C@H]1CCN(CC#Cc2cccc(Cl)c2)C1 ZINC000880297549 644638597 /nfs/dbraw/zinc/63/85/97/644638597.db2.gz PLDOSWYRXLVNBB-CYBMUJFWSA-N 0 1 251.732 2.983 20 30 CFEDMN C#CCC1(O)CCN(Cc2ccccc2OC(F)F)CC1 ZINC000880477665 644730042 /nfs/dbraw/zinc/73/00/42/644730042.db2.gz MLDWHQUIVRXGNH-UHFFFAOYSA-N 0 1 295.329 2.638 20 30 CFEDMN C#CCC1(O)CCN(Cc2ccc(OC)c(Cl)c2)CC1 ZINC000880480715 644730941 /nfs/dbraw/zinc/73/09/41/644730941.db2.gz CSTUGMQBVMVXFI-UHFFFAOYSA-N 0 1 293.794 2.699 20 30 CFEDMN C=CCCCCCNC(=O)[C@@H]1c2cn[nH]c2CC[C@H]1C ZINC000880618745 644789369 /nfs/dbraw/zinc/78/93/69/644789369.db2.gz YCHJWBTXVZYUCR-DOMZBBRYSA-N 0 1 275.396 2.938 20 30 CFEDMN C=C(C)CCN1C[C@H]2CC[C@@H](C1)N2C(=O)c1occc1C ZINC001017356869 650961712 /nfs/dbraw/zinc/96/17/12/650961712.db2.gz WVVJMMDXYAORIV-GASCZTMLSA-N 0 1 288.391 2.843 20 30 CFEDMN C[C@H]1CCc2[nH]ncc2[C@@H]1C(=O)Nc1cc(F)cc(C#N)c1 ZINC000880978024 644886915 /nfs/dbraw/zinc/88/69/15/644886915.db2.gz FAARIEDYXDVFLA-BJOHPYRUSA-N 0 1 298.321 2.725 20 30 CFEDMN N#Cc1cccc(C[N@@H+]2[C@@H]3CCCC[C@@H]3C[C@H]2C(=O)[O-])c1 ZINC000250002544 650970669 /nfs/dbraw/zinc/97/06/69/650970669.db2.gz DVEOLIVECKCMQP-OAGGEKHMSA-N 0 1 284.359 2.776 20 30 CFEDMN C#CCCN1CCN(c2cc3ccc(F)cc3cn2)CC1 ZINC000881913686 645153051 /nfs/dbraw/zinc/15/30/51/645153051.db2.gz RRUKMRFERNPPFB-UHFFFAOYSA-N 0 1 283.350 2.519 20 30 CFEDMN Cc1ccsc1CCCC(=O)C(C#N)C(=O)NC(C)C ZINC000129444893 645209422 /nfs/dbraw/zinc/20/94/22/645209422.db2.gz JLAMLCDSNPNVOI-LBPRGKRZSA-N 0 1 292.404 2.613 20 30 CFEDMN CC(C)N(C)CC(=O)Nc1ccc(C2CC2)c(C#N)c1 ZINC000882313978 645279468 /nfs/dbraw/zinc/27/94/68/645279468.db2.gz JGGCTCCGFAYKPP-UHFFFAOYSA-N 0 1 271.364 2.714 20 30 CFEDMN CC[C@@H]1CN(CCCOc2ccc(C#N)cc2)C[C@@H](C)O1 ZINC000252442736 651004468 /nfs/dbraw/zinc/00/44/68/651004468.db2.gz BCHAWXCHDLSQKL-GDBMZVCRSA-N 0 1 288.391 2.826 20 30 CFEDMN C#CCSCCN[C@@H](C)c1nc(C)sc1C ZINC000129998042 645439285 /nfs/dbraw/zinc/43/92/85/645439285.db2.gz KQLUOUYDAGDWKV-VIFPVBQESA-N 0 1 254.424 2.777 20 30 CFEDMN C=C(Br)CNCc1cccc2c1CCOC2 ZINC000882982340 645540342 /nfs/dbraw/zinc/54/03/42/645540342.db2.gz JCLSCMJWKNGPAB-UHFFFAOYSA-N 0 1 282.181 2.758 20 30 CFEDMN C#Cc1ccc(CNCc2cncn2C(C)C)cc1 ZINC000883132562 645618833 /nfs/dbraw/zinc/61/88/33/645618833.db2.gz WGVVYYSKQTZRCW-UHFFFAOYSA-N 0 1 253.349 2.735 20 30 CFEDMN C#Cc1ccc(CNCc2ccnn2CCC)cc1 ZINC000883132035 645618892 /nfs/dbraw/zinc/61/88/92/645618892.db2.gz CYPFIOLSZZNGLP-UHFFFAOYSA-N 0 1 253.349 2.564 20 30 CFEDMN C=CCC[C@@H](NCc1nnc(C(C)C)[nH]1)[C@H]1CCCO1 ZINC000883225358 645676348 /nfs/dbraw/zinc/67/63/48/645676348.db2.gz FTTQWFVZSOFRBM-CHWSQXEVSA-N 0 1 278.400 2.532 20 30 CFEDMN C=C(Br)CN1CCCC[C@@H]1[C@H]1CCC[C@H]1O ZINC000253086754 651036093 /nfs/dbraw/zinc/03/60/93/651036093.db2.gz CFWHVHDWVILTBG-JHJVBQTASA-N 0 1 288.229 2.911 20 30 CFEDMN C=C(C)C[C@@H](CO)N[C@@H](C)c1nc2c(s1)CCCC2 ZINC000883390723 645789336 /nfs/dbraw/zinc/78/93/36/645789336.db2.gz SCNRIEQPFGHHIR-RYUDHWBXSA-N 0 1 280.437 3.000 20 30 CFEDMN C#CCN1CCC(N(C)C(=O)c2c(C)cc(C)cc2C)CC1 ZINC001006378746 646014095 /nfs/dbraw/zinc/01/40/95/646014095.db2.gz AXTDYQMDDPYFIU-UHFFFAOYSA-N 0 1 298.430 2.781 20 30 CFEDMN CC(C)C(N)=NOCc1cc(Cl)c2c(c1)OCCO2 ZINC000133636544 646197640 /nfs/dbraw/zinc/19/76/40/646197640.db2.gz KEMZUSQZUWWSNQ-UHFFFAOYSA-N 0 1 284.743 2.556 20 30 CFEDMN C=CC1CCN(C(=O)[C@@H](N)Cc2cc3ccccc3o2)CC1 ZINC000884134825 646232045 /nfs/dbraw/zinc/23/20/45/646232045.db2.gz SXJCNXUUECDRLS-INIZCTEOSA-N 0 1 298.386 2.727 20 30 CFEDMN Cc1[nH]nc(CN=Nc2ncccc2C(F)(F)F)c1C ZINC000884416296 646347184 /nfs/dbraw/zinc/34/71/84/646347184.db2.gz XNLTWBYBTCPHAJ-UHFFFAOYSA-N 0 1 283.257 2.886 20 30 CFEDMN Oc1ccc(C=NO[C@@H]2CCCCO2)c(F)c1F ZINC000884442720 646360243 /nfs/dbraw/zinc/36/02/43/646360243.db2.gz OIGXXZJIYZEFKM-SNVBAGLBSA-N 0 1 257.236 2.548 20 30 CFEDMN C=CCCCOC(=O)C1CCCN(C(C)(C)C)C1=O ZINC000885477696 646694580 /nfs/dbraw/zinc/69/45/80/646694580.db2.gz KNOLFSWIIYEZLQ-LBPRGKRZSA-N 0 1 267.369 2.533 20 30 CFEDMN Cc1coc(CNCc2ccc(OCC#N)cc2)c1 ZINC000885970626 646790209 /nfs/dbraw/zinc/79/02/09/646790209.db2.gz FQRFXANELJIGCQ-UHFFFAOYSA-N 0 1 256.305 2.780 20 30 CFEDMN C=CCNC(=O)Nc1ccc(NCc2n[nH]c(C)c2C)cc1 ZINC000885985805 646796791 /nfs/dbraw/zinc/79/67/91/646796791.db2.gz RLJOMWUTGPROMF-UHFFFAOYSA-N 0 1 299.378 2.946 20 30 CFEDMN CN(Cc1nc2ccccc2o1)C[C@H](O)CC1(C#N)CCC1 ZINC000886075730 646856061 /nfs/dbraw/zinc/85/60/61/646856061.db2.gz GUNCJNVACZOUMF-CYBMUJFWSA-N 0 1 299.374 2.704 20 30 CFEDMN C#CC[C@H]1CC[N@H+](Cc2nc(-c3ccc(OC)cc3)no2)C1 ZINC000886353106 646983195 /nfs/dbraw/zinc/98/31/95/646983195.db2.gz BOMUFMCELUWHNQ-ZDUSSCGKSA-N 0 1 297.358 2.590 20 30 CFEDMN C#CC[C@H]1CCN(Cc2nc(-c3ccc(OC)cc3)no2)C1 ZINC000886353106 646983197 /nfs/dbraw/zinc/98/31/97/646983197.db2.gz BOMUFMCELUWHNQ-ZDUSSCGKSA-N 0 1 297.358 2.590 20 30 CFEDMN C#CC[C@@H]1CC[N@H+](CC(=O)N(Cc2ccccc2)C(C)C)C1 ZINC000886353484 646983332 /nfs/dbraw/zinc/98/33/32/646983332.db2.gz KCEJIGVSHCKYPD-QGZVFWFLSA-N 0 1 298.430 2.769 20 30 CFEDMN C#CC[C@H]1CCN(CC(=O)Nc2cc(Cl)ccc2C)C1 ZINC000886359412 646987036 /nfs/dbraw/zinc/98/70/36/646987036.db2.gz BQZPTKZLZZMIND-ZDUSSCGKSA-N 0 1 290.794 2.932 20 30 CFEDMN C#CC[C@H]1CCN(Cc2ccc(F)cc2[N+](=O)[O-])C1 ZINC000886365395 646988508 /nfs/dbraw/zinc/98/85/08/646988508.db2.gz HIRCJUZCRSTGMM-NSHDSACASA-N 0 1 262.284 2.579 20 30 CFEDMN C#CC[C@@H]1CCN([C@H](C(=O)OC)c2ccccc2C)C1 ZINC000886364134 646988748 /nfs/dbraw/zinc/98/87/48/646988748.db2.gz PLFGEKNSCCHCEX-ZBFHGGJFSA-N 0 1 271.360 2.554 20 30 CFEDMN C#CC[C@@H]1CCN(Cc2ccnc(Br)c2)C1 ZINC000886365595 646989602 /nfs/dbraw/zinc/98/96/02/646989602.db2.gz LURKWDBRWSRXIH-LLVKDONJSA-N 0 1 279.181 2.689 20 30 CFEDMN C=CCC1(O)CCN([C@H](C)c2ccc(C(=O)OC)o2)CC1 ZINC000886762072 647129587 /nfs/dbraw/zinc/12/95/87/647129587.db2.gz QLVHMUDPRJLYHU-GFCCVEGCSA-N 0 1 293.363 2.530 20 30 CFEDMN C=CCC1(O)CCN(Cc2ccc(C)c([N+](=O)[O-])c2)CC1 ZINC000886780191 647134088 /nfs/dbraw/zinc/13/40/88/647134088.db2.gz DGWBWZJXLUUFCK-UHFFFAOYSA-N 0 1 290.363 2.806 20 30 CFEDMN C=CCC1(O)CCN(Cc2cc(OC(C)C)ccn2)CC1 ZINC000886778890 647134185 /nfs/dbraw/zinc/13/41/85/647134185.db2.gz ZKLNAXQOPMEJBJ-UHFFFAOYSA-N 0 1 290.407 2.772 20 30 CFEDMN C#CCC1(NC(=O)c2ccc(CN(CC)CC)o2)CCC1 ZINC000886789911 647137777 /nfs/dbraw/zinc/13/77/77/647137777.db2.gz JBZARBXXJZQDMI-UHFFFAOYSA-N 0 1 288.391 2.797 20 30 CFEDMN Cc1cc(C#N)ccc1CN1CC[C@@](CO)(C(F)(F)F)C1 ZINC000886808765 647147569 /nfs/dbraw/zinc/14/75/69/647147569.db2.gz OZFIMSBFHLYFFU-CQSZACIVSA-N 0 1 298.308 2.613 20 30 CFEDMN N#Cc1c(F)cccc1CN1CC[C@@H]([C@@H]2CCCO2)C1 ZINC000886818467 647151701 /nfs/dbraw/zinc/15/17/01/647151701.db2.gz FVXOWXFBSHBCIE-CJNGLKHVSA-N 0 1 274.339 2.698 20 30 CFEDMN C=CCN(Cc1cccs1)C(=O)[C@@H](C)N(C)CCCF ZINC000887140176 647229142 /nfs/dbraw/zinc/22/91/42/647229142.db2.gz TZXCIUOMAQFGRW-CYBMUJFWSA-N 0 1 298.427 2.943 20 30 CFEDMN C[C@@H](CC(C)(C)C#N)NCC(=O)Nc1ccc(F)c(F)c1 ZINC000924558249 647994637 /nfs/dbraw/zinc/99/46/37/647994637.db2.gz DXILVFLZNMGTIJ-JTQLQIEISA-N 0 1 295.333 2.821 20 30 CFEDMN CC[C@H]([NH2+]C[C@H]1CCCN(C)C1)c1cccc(C#N)c1[O-] ZINC000925011924 648088818 /nfs/dbraw/zinc/08/88/18/648088818.db2.gz SUQTZTUGCXFGNX-CJNGLKHVSA-N 0 1 287.407 2.646 20 30 CFEDMN C=CCSCCN[C@@H](C)c1cn2c(n1)CCCC2 ZINC000925352928 648157903 /nfs/dbraw/zinc/15/79/03/648157903.db2.gz RHAMVMPVSIPEIZ-LBPRGKRZSA-N 0 1 265.426 2.789 20 30 CFEDMN CC[C@H]([NH2+][C@H](C)Cc1cc(C)[nH]n1)c1cccc(C#N)c1[O-] ZINC000925561179 648218137 /nfs/dbraw/zinc/21/81/37/648218137.db2.gz JFMPQUWOUXJBKF-BZNIZROVSA-N 0 1 298.390 2.967 20 30 CFEDMN COC1(OC)CC[C@@H]1N[C@@H](CCC#N)c1ccccc1 ZINC000925601790 648234936 /nfs/dbraw/zinc/23/49/36/648234936.db2.gz OVCIGPWEANYPCB-GJZGRUSLSA-N 0 1 274.364 2.773 20 30 CFEDMN C[C@@H](NCCCC#N)c1cccc(Br)n1 ZINC000926131823 648413006 /nfs/dbraw/zinc/41/30/06/648413006.db2.gz GYURFTLNOLGQNP-SECBINFHSA-N 0 1 268.158 2.798 20 30 CFEDMN CC[C@@H]([NH2+]CC(C)(F)F)c1cccc(C#N)c1[O-] ZINC000926485914 648505671 /nfs/dbraw/zinc/50/56/71/648505671.db2.gz KCYAHWDCNUABIL-LLVKDONJSA-N 0 1 254.280 2.960 20 30 CFEDMN C[C@@H](NCC1(C#N)CCCC1)C1(Br)CC1 ZINC000926874343 648641121 /nfs/dbraw/zinc/64/11/21/648641121.db2.gz PDYQQTODBVEPNX-SNVBAGLBSA-N 0 1 271.202 2.976 20 30 CFEDMN CCN(C(=O)CN[C@@H](C)CC(C)(C)C#N)c1ccccc1 ZINC000926882898 648644395 /nfs/dbraw/zinc/64/43/95/648644395.db2.gz ZJPMBRLFMGIVCG-AWEZNQCLSA-N 0 1 287.407 2.957 20 30 CFEDMN C=CCC1(C(=O)NCc2cc(N(C)C)ccn2)CCC1 ZINC000927699335 648817651 /nfs/dbraw/zinc/81/76/51/648817651.db2.gz RCTQOOTVDZCMNH-UHFFFAOYSA-N 0 1 273.380 2.510 20 30 CFEDMN N#CCCc1ccc(NC(=O)[C@@H]2CCc3[nH]cnc3C2)cc1 ZINC000928401636 648906674 /nfs/dbraw/zinc/90/66/74/648906674.db2.gz IBQNPFYCRFHXME-CYBMUJFWSA-N 0 1 294.358 2.609 20 30 CFEDMN CC(C)[C@H](C(=O)Nc1ccc(CCC#N)cc1)N(C)C ZINC000928403404 648907820 /nfs/dbraw/zinc/90/78/20/648907820.db2.gz AXURONDHPOIKAE-OAHLLOKOSA-N 0 1 273.380 2.667 20 30 CFEDMN C#CCN1CCC(NC(=O)CCCC[C@H](C)CC)CC1 ZINC000928653958 648939150 /nfs/dbraw/zinc/93/91/50/648939150.db2.gz HSNMLHXBMKLTQY-OAHLLOKOSA-N 0 1 278.440 2.807 20 30 CFEDMN C#CCN1CCC(NC(=O)C2(C3CCCCC3)CC2)CC1 ZINC000928661282 648939801 /nfs/dbraw/zinc/93/98/01/648939801.db2.gz ZXWMCROGJRTUJK-UHFFFAOYSA-N 0 1 288.435 2.561 20 30 CFEDMN C[C@@H](c1cc2ccccc2o1)N(C)C[C@H](O)CC#N ZINC000929092347 648976922 /nfs/dbraw/zinc/97/69/22/648976922.db2.gz LKPUFJAROQIXNJ-WCQYABFASA-N 0 1 258.321 2.700 20 30 CFEDMN C=CCN(Cc1cccs1)C[C@@H]1C[C@H]2COC[C@H]2O1 ZINC000929140166 648988055 /nfs/dbraw/zinc/98/80/55/648988055.db2.gz HYTBZPKLMYKQEO-KCQAQPDRSA-N 0 1 279.405 2.540 20 30 CFEDMN C#CCN(C/C=C(/C)COC)Cc1ccc(F)cc1 ZINC000929363680 649039114 /nfs/dbraw/zinc/03/91/14/649039114.db2.gz SDDOSDKFWNSKMO-ZROIWOOFSA-N 0 1 261.340 2.854 20 30 CFEDMN C=CCN(CCc1ccccc1)Cc1[nH]nc2c1COCC2 ZINC000929363022 649039210 /nfs/dbraw/zinc/03/92/10/649039210.db2.gz YPYBIVMNGIGITO-UHFFFAOYSA-N 0 1 297.402 2.713 20 30 CFEDMN C[C@H](c1ccc(C(F)(F)F)cc1)[N@@H+](C)C[C@H](O)CC#N ZINC000929382659 649042330 /nfs/dbraw/zinc/04/23/30/649042330.db2.gz FWQZQRIIHFIDSO-ZWNOBZJWSA-N 0 1 286.297 2.973 20 30 CFEDMN C[C@H](c1ccc(C(F)(F)F)cc1)N(C)C[C@H](O)CC#N ZINC000929382659 649042332 /nfs/dbraw/zinc/04/23/32/649042332.db2.gz FWQZQRIIHFIDSO-ZWNOBZJWSA-N 0 1 286.297 2.973 20 30 CFEDMN CN(CCc1ccccc1F)Cc1cncc(C#N)c1 ZINC000929618123 649079976 /nfs/dbraw/zinc/07/99/76/649079976.db2.gz YVZYPZKJLROJMX-UHFFFAOYSA-N 0 1 269.323 2.767 20 30 CFEDMN C[C@@H]1[C@H](C)OCCN1CCCCC1(C#N)CCC1 ZINC000929842063 649136502 /nfs/dbraw/zinc/13/65/02/649136502.db2.gz BKKSYEPFAXTZFG-KGLIPLIRSA-N 0 1 250.386 2.960 20 30 CFEDMN C=C[C@@H](CC)CC(=O)NCCN1CCc2ccccc2C1 ZINC000929910893 649148660 /nfs/dbraw/zinc/14/86/60/649148660.db2.gz PRDXKTVVRQIBMO-HNNXBMFYSA-N 0 1 286.419 2.763 20 30 CFEDMN N#Cc1cncc(CN2CCC[C@@H](C[C@@H]3CCOC3)C2)c1 ZINC000930180804 649199446 /nfs/dbraw/zinc/19/94/46/649199446.db2.gz XSIDACWLLLLONT-GJZGRUSLSA-N 0 1 285.391 2.592 20 30 CFEDMN C=C[C@H]1CCCC[N@@H+]1C[C@](O)(CC)C(F)(F)F ZINC000930262130 649217923 /nfs/dbraw/zinc/21/79/23/649217923.db2.gz DGAXFRQCOCFOQL-WDEREUQCSA-N 0 1 251.292 2.730 20 30 CFEDMN N#CC[C@@H](O)CN(Cc1ccccc1Cl)CC1CC1 ZINC000930449022 649250407 /nfs/dbraw/zinc/25/04/07/649250407.db2.gz LEYVWESCBNULLF-CQSZACIVSA-N 0 1 278.783 2.827 20 30 CFEDMN CC1(C)Oc2ccsc2[C@H](NCC2(CC#N)CC2)[C@H]1O ZINC000930550430 649272090 /nfs/dbraw/zinc/27/20/90/649272090.db2.gz JMEDDKVYGJEELE-WCQYABFASA-N 0 1 292.404 2.605 20 30 CFEDMN C#CCN1CCC(NC(=O)Nc2ccc(C)c(CC)c2)CC1 ZINC000930750654 649319807 /nfs/dbraw/zinc/31/98/07/649319807.db2.gz NJDMFISHYSZLCJ-UHFFFAOYSA-N 0 1 299.418 2.777 20 30 CFEDMN C=CC[C@H]1CCCC[C@@H]1NCc1nnc(OC)s1 ZINC000930918926 649349416 /nfs/dbraw/zinc/34/94/16/649349416.db2.gz DVTIRBIJHVFYGV-QWRGUYRKSA-N 0 1 267.398 2.771 20 30 CFEDMN C[C@@H](C[N@@H+]1CCC[C@@H](CC#N)C1)C(=O)c1ccc([O-])cc1 ZINC000930922638 649349938 /nfs/dbraw/zinc/34/99/38/649349938.db2.gz CYCLVWWTWIXIOW-KBPBESRZSA-N 0 1 286.375 2.837 20 30 CFEDMN C[C@@H](C[N@H+]1CCC[C@@H](CC#N)C1)C(=O)c1ccc([O-])cc1 ZINC000930922638 649349942 /nfs/dbraw/zinc/34/99/42/649349942.db2.gz CYCLVWWTWIXIOW-KBPBESRZSA-N 0 1 286.375 2.837 20 30 CFEDMN C=CC[N@@H+](C[C@@H]1CC[C@@H](C(F)(F)F)O1)[C@@H](C)COC ZINC000930930423 649351963 /nfs/dbraw/zinc/35/19/63/649351963.db2.gz HJJJOFQSHRIICF-SRVKXCTJSA-N 0 1 281.318 2.619 20 30 CFEDMN C=CC[C@@H]1CCCN(Cc2noc3c2COCC3)C1 ZINC000930962210 649356104 /nfs/dbraw/zinc/35/61/04/649356104.db2.gz LOSFCAFUIBNLKB-GFCCVEGCSA-N 0 1 262.353 2.535 20 30 CFEDMN N#Cc1cc(Cl)cc(CN2CC[C@H]3COC[C@@H]3C2)c1 ZINC000931060300 649372823 /nfs/dbraw/zinc/37/28/23/649372823.db2.gz SVUBCDXMVSRZFB-KBPBESRZSA-N 0 1 276.767 2.680 20 30 CFEDMN C#CCCN(CCOC)Cc1cnc(-c2ccccc2)o1 ZINC000931070421 649375221 /nfs/dbraw/zinc/37/52/21/649375221.db2.gz DOTXERQYPKGORC-UHFFFAOYSA-N 0 1 284.359 2.813 20 30 CFEDMN C#CC1(O)CCN([C@H](C)c2cccc(Cl)c2)CC1 ZINC000931144977 649386191 /nfs/dbraw/zinc/38/61/91/649386191.db2.gz LTDRTTBRBAXOTI-GFCCVEGCSA-N 0 1 263.768 2.861 20 30 CFEDMN Cc1cc(C#N)cc(C)c1CN1CCC[C@H]1c1nnc[nH]1 ZINC000931144465 649386240 /nfs/dbraw/zinc/38/62/40/649386240.db2.gz SNBPGZHKTZFNIW-HNNXBMFYSA-N 0 1 281.363 2.630 20 30 CFEDMN CC[C@@H](C#N)NC(=O)c1cccc2nc(C(F)F)[nH]c21 ZINC000931331100 649410454 /nfs/dbraw/zinc/41/04/54/649410454.db2.gz NZOGLDQSYYUVEW-ZETCQYMHSA-N 0 1 278.262 2.532 20 30 CFEDMN CC[C@H](C)[C@@H](C(=O)OC)N(C)CCc1cccc(C#N)c1 ZINC000931511055 649444827 /nfs/dbraw/zinc/44/48/27/649444827.db2.gz WUXAQZKDPGKELL-BBRMVZONSA-N 0 1 288.391 2.620 20 30 CFEDMN C=C[C@@H](CC)CC(=O)Nc1cnn(-c2ccncc2)c1 ZINC000931647217 649467123 /nfs/dbraw/zinc/46/71/23/649467123.db2.gz USLGEENDNVIZNT-LBPRGKRZSA-N 0 1 270.336 2.808 20 30 CFEDMN C=C(Cl)CN1C[C@@H]2COC[C@]2(c2ccccc2)C1 ZINC000931904516 649506436 /nfs/dbraw/zinc/50/64/36/649506436.db2.gz XWBYVVRELVHKST-CABCVRRESA-N 0 1 263.768 2.639 20 30 CFEDMN N#CCCCCNC(=O)c1ccc(CN2CCCCC2)o1 ZINC000931971312 649519794 /nfs/dbraw/zinc/51/97/94/649519794.db2.gz UBWZXKHOMYBWHY-UHFFFAOYSA-N 0 1 289.379 2.689 20 30 CFEDMN C#CCN1CCC(NC(=O)Nc2ccccc2C=C)CC1 ZINC000932071855 649532089 /nfs/dbraw/zinc/53/20/89/649532089.db2.gz KNQWYUGVASCOBB-UHFFFAOYSA-N 0 1 283.375 2.549 20 30 CFEDMN Cn1ccc([C@@H]2CCCN(Cc3cc(C#N)ccc3F)C2)n1 ZINC000932139478 649548319 /nfs/dbraw/zinc/54/83/19/649548319.db2.gz NZGQQEMVGMHQMG-CQSZACIVSA-N 0 1 298.365 2.810 20 30 CFEDMN Cn1ccc(C2CCN(Cc3ccc(C#N)c(F)c3)CC2)n1 ZINC000932143154 649550217 /nfs/dbraw/zinc/55/02/17/649550217.db2.gz YBFUROOBSPXKTH-UHFFFAOYSA-N 0 1 298.365 2.810 20 30 CFEDMN COCC#CCN[C@@H]1CC2(CCC2)Oc2ccccc21 ZINC000932216945 649565581 /nfs/dbraw/zinc/56/55/81/649565581.db2.gz VPGYLDZXHXLBEY-OAHLLOKOSA-N 0 1 271.360 2.672 20 30 CFEDMN Cc1cc(CN2CCC[C@H]2C(=O)NC(C)(C)C)ccc1C#N ZINC000932433679 649598881 /nfs/dbraw/zinc/59/88/81/649598881.db2.gz HOBPVWHOXUQJKX-INIZCTEOSA-N 0 1 299.418 2.746 20 30 CFEDMN C#CCN(CC(=O)N[C@H](C)c1ccccc1)C(C)(C)C ZINC000932461914 649605329 /nfs/dbraw/zinc/60/53/29/649605329.db2.gz KYGGHXBYRSANTL-CQSZACIVSA-N 0 1 272.392 2.598 20 30 CFEDMN C#CCN(CC(=O)N[C@H](C)c1cccs1)C(C)(C)C ZINC000932466008 649606321 /nfs/dbraw/zinc/60/63/21/649606321.db2.gz QKEHPIZTCJRZNV-GFCCVEGCSA-N 0 1 278.421 2.659 20 30 CFEDMN CC#CCN1CCC(c2nc3c(s2)CCC3)CC1 ZINC000932619254 649629560 /nfs/dbraw/zinc/62/95/60/649629560.db2.gz JHKMCNFVFHOEDW-UHFFFAOYSA-N 0 1 260.406 2.835 20 30 CFEDMN N#Cc1ccc(CN2CCC(O)(C3CCC3)CC2)s1 ZINC000932816580 649645927 /nfs/dbraw/zinc/64/59/27/649645927.db2.gz RRBWDCLHQURFFK-UHFFFAOYSA-N 0 1 276.405 2.747 20 30 CFEDMN C#CCC1([NH2+]Cc2nc(CC)cc(=O)[n-]2)CCCCC1 ZINC000933265127 649683698 /nfs/dbraw/zinc/68/36/98/649683698.db2.gz SHKMJSBQTFCFHW-UHFFFAOYSA-N 0 1 273.380 2.560 20 30 CFEDMN C[C@H](c1cccc(C#N)c1)N(C)Cc1cccc(=O)[nH]1 ZINC000933400675 649691486 /nfs/dbraw/zinc/69/14/86/649691486.db2.gz ZCGMVJXTTLTRCY-GFCCVEGCSA-N 0 1 267.332 2.852 20 30 CFEDMN Cc1noc(C[C@H]2CCCN(CC#Cc3ccccc3)C2)n1 ZINC000933576756 649702891 /nfs/dbraw/zinc/70/28/91/649702891.db2.gz WSFHNDKPJHRDKS-QGZVFWFLSA-N 0 1 295.386 2.684 20 30 CFEDMN C=C(C)CCN1CCO[C@@H](c2ccc(C#N)cc2)C1 ZINC000933628960 649708275 /nfs/dbraw/zinc/70/82/75/649708275.db2.gz NNFGAAFNGUDHAY-MRXNPFEDSA-N 0 1 256.349 2.898 20 30 CFEDMN O=C1C=COC2(CCN(C[C@@H]3CC3(Cl)Cl)CC2)C1 ZINC000933656836 649710898 /nfs/dbraw/zinc/71/08/98/649710898.db2.gz LSUJYZDLOIAWSU-JTQLQIEISA-N 0 1 290.190 2.518 20 30 CFEDMN C[C@H](Cc1cccnc1)NCc1c(C#N)cccc1[N+](=O)[O-] ZINC000934230621 649764098 /nfs/dbraw/zinc/76/40/98/649764098.db2.gz USWZSGQMSLUHOW-GFCCVEGCSA-N 0 1 296.330 2.582 20 30 CFEDMN COc1ccc([C@@H]2CCCN2CC2(CC#N)CC2)nc1 ZINC000934341713 649777528 /nfs/dbraw/zinc/77/75/28/649777528.db2.gz PCLUNPBKTWLNHO-HNNXBMFYSA-N 0 1 271.364 2.921 20 30 CFEDMN C=CC[C@@H]1CCN1CC(=O)N(C)[C@@H](C)c1ccc(F)cc1 ZINC000934470714 649790211 /nfs/dbraw/zinc/79/02/11/649790211.db2.gz DYYHXEUAWMOJEP-XJKSGUPXSA-N 0 1 290.382 2.996 20 30 CFEDMN C=CC[C@@H]1CCN1CC(=O)N(CC)Cc1cccc(F)c1 ZINC000934471236 649791290 /nfs/dbraw/zinc/79/12/90/649791290.db2.gz JPKMHSQUVUWUMA-MRXNPFEDSA-N 0 1 290.382 2.825 20 30 CFEDMN C=CC[C@@H]1CCN1[C@@H](C)C(=O)N(C)C1CCCCC1 ZINC000934472893 649791895 /nfs/dbraw/zinc/79/18/95/649791895.db2.gz RBQMFRJVUYHNGG-DZGCQCFKSA-N 0 1 264.413 2.816 20 30 CFEDMN C=CCCCN(CC)Cc1ccc(S(C)(=O)=O)cc1 ZINC000934645663 649811527 /nfs/dbraw/zinc/81/15/27/649811527.db2.gz XCZSRJPTWLAKLY-UHFFFAOYSA-N 0 1 281.421 2.878 20 30 CFEDMN C=CCCCN(CC)CC(=O)Nc1oc(C)c(C)c1C#N ZINC000934649244 649812147 /nfs/dbraw/zinc/81/21/47/649812147.db2.gz PFJZQEXRRMVLDL-UHFFFAOYSA-N 0 1 289.379 2.995 20 30 CFEDMN C=C(C)c1cccc(NC(=O)NCCc2nc(C)n[nH]2)c1 ZINC000934880265 649846551 /nfs/dbraw/zinc/84/65/51/649846551.db2.gz NNHBKMQMTOFJIJ-UHFFFAOYSA-N 0 1 285.351 2.510 20 30 CFEDMN Cc1cc(C)c(CN=Nc2ccc([N+](=O)[O-])cc2)[nH]1 ZINC000254371708 651086585 /nfs/dbraw/zinc/08/65/85/651086585.db2.gz XCBRODYUMNVMQA-UHFFFAOYSA-N 0 1 258.281 2.986 20 30 CFEDMN C=C(C)CN1CCC[C@@H](NC(=O)c2ccc(Cl)o2)C1 ZINC001006754468 651129911 /nfs/dbraw/zinc/12/99/11/651129911.db2.gz YWRJTCAGKXIPCW-LLVKDONJSA-N 0 1 282.771 2.703 20 30 CFEDMN C=C(C)CN1CCC[C@@H](NC(=O)c2cccc(C)c2F)C1 ZINC001007384478 651133308 /nfs/dbraw/zinc/13/33/08/651133308.db2.gz BSKUIXOXGYJWAY-CQSZACIVSA-N 0 1 290.382 2.904 20 30 CFEDMN C=C(C)C[N@H+]1CCC[C@@H](NC(=O)c2cc(F)ccc2F)C1 ZINC001007504481 651135616 /nfs/dbraw/zinc/13/56/16/651135616.db2.gz XTYDDYXEDKYGOS-CYBMUJFWSA-N 0 1 294.345 2.735 20 30 CFEDMN C=C(C)CN1CCC[C@@H](NC(=O)c2cc(F)ccc2F)C1 ZINC001007504481 651135618 /nfs/dbraw/zinc/13/56/18/651135618.db2.gz XTYDDYXEDKYGOS-CYBMUJFWSA-N 0 1 294.345 2.735 20 30 CFEDMN C=CCN1CCC[C@@H](NC(=O)Cc2cccc(CC)c2)C1 ZINC001007677702 651138110 /nfs/dbraw/zinc/13/81/10/651138110.db2.gz HOIYIFYJQWJVML-QGZVFWFLSA-N 0 1 286.419 2.558 20 30 CFEDMN C=CCN1CCC[C@@H](NC(=O)C2(C3CCC3)CCC2)C1 ZINC001008082506 651142137 /nfs/dbraw/zinc/14/21/37/651142137.db2.gz IKPDKEXNQGBOJE-OAHLLOKOSA-N 0 1 276.424 2.723 20 30 CFEDMN C=CCN1CCC[C@H](NC(=O)c2ccc(C)nc2C2CC2)C1 ZINC001008097602 651142142 /nfs/dbraw/zinc/14/21/42/651142142.db2.gz TWRYAPSRMSUYBY-HNNXBMFYSA-N 0 1 299.418 2.648 20 30 CFEDMN C=CCN1CCC[C@@H](NC(=O)c2cccc3ncccc32)C1 ZINC001008118418 651142538 /nfs/dbraw/zinc/14/25/38/651142538.db2.gz DGPCEUQQLQGFKU-CQSZACIVSA-N 0 1 295.386 2.615 20 30 CFEDMN C=C(C)CN1CCC[C@@H](NC(=O)[C@@H]2CCC2(C)C)C1 ZINC001008256410 651145623 /nfs/dbraw/zinc/14/56/23/651145623.db2.gz PHTCVYBJZQIULG-KGLIPLIRSA-N 0 1 264.413 2.579 20 30 CFEDMN C=CCN1CCC[C@H](NC(=O)c2ccc3ncccc3c2)C1 ZINC001008385430 651146978 /nfs/dbraw/zinc/14/69/78/651146978.db2.gz MNIDXTXSUPMGMZ-INIZCTEOSA-N 0 1 295.386 2.615 20 30 CFEDMN C=C(C)CN1CCC[C@H](NC(=O)c2ccncc2Cl)C1 ZINC001008642394 651151531 /nfs/dbraw/zinc/15/15/31/651151531.db2.gz YMJNKGUNCLCNBY-LBPRGKRZSA-N 0 1 293.798 2.505 20 30 CFEDMN C=C(C)CN1CCC[C@@H](NC(=O)[C@H](F)c2ccccc2)C1 ZINC001008698941 651153066 /nfs/dbraw/zinc/15/30/66/651153066.db2.gz ULYRSKQHPRYVPT-HZPDHXFCSA-N 0 1 290.382 2.854 20 30 CFEDMN C=CCN1CCC[C@@H](NC(=O)c2ccc3ccncc3c2)C1 ZINC001009101064 651155875 /nfs/dbraw/zinc/15/58/75/651155875.db2.gz CPJIAAGYZOXWDI-QGZVFWFLSA-N 0 1 295.386 2.615 20 30 CFEDMN C=C(C)CN1CCC[C@H](NC(=O)C(C2CC2)C2CC2)C1 ZINC001009146410 651156747 /nfs/dbraw/zinc/15/67/47/651156747.db2.gz MSQLCDKFTDUIIM-HNNXBMFYSA-N 0 1 276.424 2.579 20 30 CFEDMN C=CCN1CCC[C@H](NC(=O)c2ccccc2Cl)C1 ZINC001009297217 651158605 /nfs/dbraw/zinc/15/86/05/651158605.db2.gz YFVICOYNOHBVBH-LBPRGKRZSA-N 0 1 278.783 2.720 20 30 CFEDMN C=CCN1CCC[C@H](NC(=O)C2CCC(C3CC3)CC2)C1 ZINC001009380183 651159331 /nfs/dbraw/zinc/15/93/31/651159331.db2.gz VDBFSUWTFXFXJD-JCYILVPMSA-N 0 1 290.451 2.969 20 30 CFEDMN C=CCN1CCC[C@H](NC(=O)c2ccc(C)c(C)c2)C1 ZINC001009403615 651160335 /nfs/dbraw/zinc/16/03/35/651160335.db2.gz SNXZJXFQAHAEJL-INIZCTEOSA-N 0 1 272.392 2.684 20 30 CFEDMN C#CCCN1CCC[C@H](NC(=O)c2ccc(Cl)s2)C1 ZINC001009419253 651161090 /nfs/dbraw/zinc/16/10/90/651161090.db2.gz SKEHUFFPNBNSIH-NSHDSACASA-N 0 1 296.823 2.619 20 30 CFEDMN C=CCN1CCC[C@H](NC(=O)c2cncc3ccccc32)C1 ZINC001009601934 651162527 /nfs/dbraw/zinc/16/25/27/651162527.db2.gz ITILKSUTDADUJW-HNNXBMFYSA-N 0 1 295.386 2.615 20 30 CFEDMN C#CCCN1CCC[C@H](NC(=O)c2sccc2CC)C1 ZINC001009615766 651162749 /nfs/dbraw/zinc/16/27/49/651162749.db2.gz DEKBZENJKPPGBZ-AWEZNQCLSA-N 0 1 290.432 2.528 20 30 CFEDMN C=CCN1CCC[C@@H](NC(=O)[C@]2(C)CCc3ccccc32)C1 ZINC001009692988 651163543 /nfs/dbraw/zinc/16/35/43/651163543.db2.gz UEINNVNSABUEOH-VQIMIIECSA-N 0 1 298.430 2.657 20 30 CFEDMN C=CCN1CC[C@@H](NC(=O)c2c(C)oc3ccccc32)C1 ZINC001014543485 651188338 /nfs/dbraw/zinc/18/83/38/651188338.db2.gz CFHBYEORNKDYIW-CYBMUJFWSA-N 0 1 284.359 2.731 20 30 CFEDMN C=CCN1CC[C@H](NC(=O)c2cccc3c2CCCC3)C1 ZINC001014548615 651188583 /nfs/dbraw/zinc/18/85/83/651188583.db2.gz JRGUKFUYPLBCLV-HNNXBMFYSA-N 0 1 284.403 2.556 20 30 CFEDMN C=CCN1CC[C@H](NC(=O)c2ccc(C3CCC3)cc2)C1 ZINC001014642719 651190089 /nfs/dbraw/zinc/19/00/89/651190089.db2.gz GBNKTHLXBIKPOT-KRWDZBQOSA-N 0 1 284.403 2.944 20 30 CFEDMN C=CCN1CC[C@H](NC(=O)c2ccccc2C(C)(C)C)C1 ZINC001014866162 651192902 /nfs/dbraw/zinc/19/29/02/651192902.db2.gz YFIXKQBGUUWGME-AWEZNQCLSA-N 0 1 286.419 2.974 20 30 CFEDMN C=C(C)CN1CC[C@H](NC(=O)C2(c3ccccc3)CCC2)C1 ZINC001015176413 651197536 /nfs/dbraw/zinc/19/75/36/651197536.db2.gz XDOCTFAOVJNTQP-KRWDZBQOSA-N 0 1 298.430 2.875 20 30 CFEDMN C=C(C)CN1CC[C@H](NC(=O)c2cc3ccc(C)cc3[nH]2)C1 ZINC001015431180 651201192 /nfs/dbraw/zinc/20/11/92/651201192.db2.gz NVKJLNRQISRSFT-HNNXBMFYSA-N 0 1 297.402 2.857 20 30 CFEDMN C=C(C)CN1CC[C@@H](NC(=O)C(C)(C)c2cccs2)C1 ZINC001015501310 651202286 /nfs/dbraw/zinc/20/22/86/651202286.db2.gz ZFWPNHBLVYIRKL-CYBMUJFWSA-N 0 1 292.448 2.792 20 30 CFEDMN C=C(C)CN1CC[C@H](NC(=O)c2cc(C)cc(F)c2)C1 ZINC001015739015 651210443 /nfs/dbraw/zinc/21/04/43/651210443.db2.gz LXQNMXHOTJNIDS-HNNXBMFYSA-N 0 1 276.355 2.514 20 30 CFEDMN C=C(C)CN1CC[C@H](NC(=O)c2cc(C)ccc2F)C1 ZINC001015754930 651212809 /nfs/dbraw/zinc/21/28/09/651212809.db2.gz IEPGGYTVSLZWBE-ZDUSSCGKSA-N 0 1 276.355 2.514 20 30 CFEDMN C=CCN1CC[C@@H](NC(=O)[C@]2(C)CC[C@H](C)C2(C)C)C1 ZINC001015796994 651214251 /nfs/dbraw/zinc/21/42/51/651214251.db2.gz VNMYPEGECMSWMN-VBQJREDUSA-N 0 1 278.440 2.825 20 30 CFEDMN C=CCN1CC[C@@H](NC(=O)[C@@]2(C)CCCc3ccccc32)C1 ZINC001015856733 651216113 /nfs/dbraw/zinc/21/61/13/651216113.db2.gz XJSYPHGJELIWLN-APWZRJJASA-N 0 1 298.430 2.657 20 30 CFEDMN C#CCCN1CC[C@H](NC(=O)c2cc(C(C)C)oc2C)C1 ZINC001015929322 651218201 /nfs/dbraw/zinc/21/82/01/651218201.db2.gz SKJPLLBXVJSVPP-AWEZNQCLSA-N 0 1 288.391 2.539 20 30 CFEDMN C=CCN1CC[C@@H](NC(=O)c2[nH]ccc2-c2ccccc2)C1 ZINC001015982250 651219592 /nfs/dbraw/zinc/21/95/92/651219592.db2.gz CUOSPZGOYWIRDC-OAHLLOKOSA-N 0 1 295.386 2.672 20 30 CFEDMN C=CCN1CC[C@@H](NC(=O)c2cc(Cl)ccc2Cl)C1 ZINC001016087181 651224519 /nfs/dbraw/zinc/22/45/19/651224519.db2.gz DGNIUFLNTPEDOM-LLVKDONJSA-N 0 1 299.201 2.984 20 30 CFEDMN C=C(C)CN1CC[C@@H](NC(=O)c2cc(C)c(CC)s2)C1 ZINC001016200026 651227635 /nfs/dbraw/zinc/22/76/35/651227635.db2.gz QLIKRKFGHZMVNK-CYBMUJFWSA-N 0 1 292.448 2.999 20 30 CFEDMN C=C(C)CN1CC[C@@H](NC(=O)[C@@]2(C)CCc3ccccc32)C1 ZINC001016375187 651232416 /nfs/dbraw/zinc/23/24/16/651232416.db2.gz MOCXAUWUFKEFQN-APWZRJJASA-N 0 1 298.430 2.657 20 30 CFEDMN C=CCN1CC[C@@H](NC(=O)C2CC(c3ccccc3)C2)C1 ZINC001016382232 651232826 /nfs/dbraw/zinc/23/28/26/651232826.db2.gz RQPKASQTYGRGJF-OFLPRAFFSA-N 0 1 284.403 2.557 20 30 CFEDMN C=C(Cl)CN1CCC2(C[C@H]2NC(=O)C2=CCCC2)CC1 ZINC001016570510 651236802 /nfs/dbraw/zinc/23/68/02/651236802.db2.gz PPZYQCPFVLXMJK-CQSZACIVSA-N 0 1 294.826 2.820 20 30 CFEDMN C=C(Cl)CN1CCC2(C[C@@H]2NC(=O)C2=CCCC2)CC1 ZINC001016570509 651237526 /nfs/dbraw/zinc/23/75/26/651237526.db2.gz PPZYQCPFVLXMJK-AWEZNQCLSA-N 0 1 294.826 2.820 20 30 CFEDMN C=CCCN1C[C@H]2CC[C@@H](C1)N2C(=O)c1cccc(C)c1 ZINC001017317054 651249992 /nfs/dbraw/zinc/24/99/92/651249992.db2.gz RMVLSQXAPJXPKA-CALCHBBNSA-N 0 1 284.403 2.860 20 30 CFEDMN C#CCCN1C[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1CCCC1(C)C ZINC001017821841 651258604 /nfs/dbraw/zinc/25/86/04/651258604.db2.gz KMZRQFZKZFJYPD-OWCLPIDISA-N 0 1 288.435 2.511 20 30 CFEDMN C=C(C)CCN1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H](F)C(C)C ZINC001017823761 651258949 /nfs/dbraw/zinc/25/89/49/651258949.db2.gz PTFMZHCTVGKYEL-ZNMIVQPWSA-N 0 1 282.403 2.622 20 30 CFEDMN C#CCCN1C[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1CCC(C)(C)C1 ZINC001017906598 651261751 /nfs/dbraw/zinc/26/17/51/651261751.db2.gz AEFQQJUJWFQBOM-HRCADAONSA-N 0 1 288.435 2.511 20 30 CFEDMN C#CCCN1C[C@H]2CC[C@@H](C1)N2C(=O)c1cccc(C)c1C ZINC001018230881 651267561 /nfs/dbraw/zinc/26/75/61/651267561.db2.gz ZCMXBRVKPADEOC-CALCHBBNSA-N 0 1 296.414 2.616 20 30 CFEDMN C=C(Cl)CN[C@H]1CCN(C(=O)C2=CCCCCC2)C1 ZINC001018762833 651275449 /nfs/dbraw/zinc/27/54/49/651275449.db2.gz PNKGQSYBLIVCLV-AWEZNQCLSA-N 0 1 282.815 2.820 20 30 CFEDMN C=C(Cl)CN[C@H]1CCN(C(=O)[C@@]23C[C@@H]2CCCC3)C1 ZINC001019350956 651283600 /nfs/dbraw/zinc/28/36/00/651283600.db2.gz QPXAKIQQCWCOTF-YDHLFZDLSA-N 0 1 282.815 2.510 20 30 CFEDMN C=C(Cl)CN[C@H]1CCN(C(=O)[C@@H](C)C2CCCC2)C1 ZINC001019632625 651288398 /nfs/dbraw/zinc/28/83/98/651288398.db2.gz STBXNTQLMLWOHI-JSGCOSHPSA-N 0 1 284.831 2.756 20 30 CFEDMN C=C(C)CC[N@@H+]1CC[C@H]1CN(C)C(=O)[C@@H]1C[C@H]1C1CC1 ZINC001085866738 782189908 /nfs/dbraw/zinc/18/99/08/782189908.db2.gz RBXIJVXEFSLXBB-HRCADAONSA-N 0 1 276.424 2.531 20 30 CFEDMN Cc1nc(N2C[C@@H](C)N(C)C[C@H]2C)c(C#N)c(C)c1Cl ZINC001164629729 719156241 /nfs/dbraw/zinc/15/62/41/719156241.db2.gz CVIDWZBOYNDOEM-NXEZZACHSA-N 0 1 292.814 2.752 20 30 CFEDMN C=CCCN1CC[C@@H]1CN(C)C(=O)c1oc(CC)cc1C ZINC001085927042 782204466 /nfs/dbraw/zinc/20/44/66/782204466.db2.gz MEZKFHZWAAZQGU-CQSZACIVSA-N 0 1 290.407 2.873 20 30 CFEDMN N#CCCNCCc1sccc1Br ZINC000713024186 782206396 /nfs/dbraw/zinc/20/63/96/782206396.db2.gz JHZBWDZUAVUHAW-UHFFFAOYSA-N 0 1 259.172 2.556 20 30 CFEDMN C=C(C)CN1CC[C@H]1CN(C)C(=O)c1ccc(CC)cc1 ZINC001085955458 782216919 /nfs/dbraw/zinc/21/69/19/782216919.db2.gz AXCFEXYKJNZSNO-KRWDZBQOSA-N 0 1 286.419 2.971 20 30 CFEDMN C=C(Cl)CN[C@@H](CNC(=O)C1CCC=CCC1)C1CC1 ZINC001266442499 770160770 /nfs/dbraw/zinc/16/07/70/770160770.db2.gz YDXKIGSVMLNTHG-HNNXBMFYSA-N 0 1 296.842 2.970 20 30 CFEDMN C=CCC(C)(C)C(=O)NC[C@H]1CCN(C/C=C\Cl)C1 ZINC001266537239 770294512 /nfs/dbraw/zinc/29/45/12/770294512.db2.gz HDNNRZVQYMATAU-DMTLFAOVSA-N 0 1 284.831 2.779 20 30 CFEDMN C#C[C@@H]1CCC[C@@H]1Oc1[nH]c(=O)nc2cccc(OC)c21 ZINC001229240841 776763088 /nfs/dbraw/zinc/76/30/88/776763088.db2.gz YRBZOYUSCRKIOX-PWSUYJOCSA-N 0 1 284.315 2.525 20 30 CFEDMN CC#CCN1CC[C@H](NC(=O)c2cc(C)cc(C)c2)[C@H]1CC ZINC001087808839 777703744 /nfs/dbraw/zinc/70/37/44/777703744.db2.gz MDZBPYKFAWJBLM-ZWKOTPCHSA-N 0 1 298.430 2.909 20 30 CFEDMN C#CCN(C)Cc1cc(I)ccc1C ZINC001235783423 778558211 /nfs/dbraw/zinc/55/82/11/778558211.db2.gz BHMKDFJGQCMHCQ-UHFFFAOYSA-N 0 1 299.155 2.665 20 30 CFEDMN CC#CCN1CCCC[C@H](NC(=O)[C@H]2CCC(C)(C)C2)C1 ZINC001034391532 780959605 /nfs/dbraw/zinc/95/96/05/780959605.db2.gz XTXKFFHSLICPIC-HOTGVXAUSA-N 0 1 290.451 2.807 20 30 CFEDMN C=CCN1CC[C@H](N(CC)C(=O)c2ccnc(C3CC3)c2)C1 ZINC001033886082 780817716 /nfs/dbraw/zinc/81/77/16/780817716.db2.gz DNCVUJSCIMWBKN-INIZCTEOSA-N 0 1 299.418 2.681 20 30 CFEDMN C=CC(C)(C)C(=O)N1CC[C@H]2CCN(C/C=C/Cl)[C@H]2C1 ZINC001085004799 781876945 /nfs/dbraw/zinc/87/69/45/781876945.db2.gz LGOIPHRQIZKCPG-AMVTZNPPSA-N 0 1 296.842 2.874 20 30 CFEDMN C=CCCCN1CC(N(C)C(=O)OC(C)(C)C)C1 ZINC001209157456 770006846 /nfs/dbraw/zinc/00/68/46/770006846.db2.gz WHFAJVTYPNAZIC-UHFFFAOYSA-N 0 1 254.374 2.504 20 30 CFEDMN C=CCCCCCCN1CCN(c2cnccn2)CC1 ZINC001209430678 770083344 /nfs/dbraw/zinc/08/33/44/770083344.db2.gz AYJGFFZQFIPXKF-UHFFFAOYSA-N 0 1 274.412 2.735 20 30 CFEDMN C=CCCCCCCN1CC[C@@H](N2CCOCC2)[C@@H](F)C1 ZINC001209438761 770090040 /nfs/dbraw/zinc/09/00/40/770090040.db2.gz VKCVBVANRWHKFB-DLBZAZTESA-N 0 1 298.446 2.868 20 30 CFEDMN C=CCCCCCCN1CC(=O)NC2(CCCC2)C1 ZINC001209438738 770090083 /nfs/dbraw/zinc/09/00/83/770090083.db2.gz UJKNRGJTQVRCEV-UHFFFAOYSA-N 0 1 264.413 2.868 20 30 CFEDMN C=CCCCCCCCN1CC2(C1)CS(=O)C2 ZINC001209438934 770091476 /nfs/dbraw/zinc/09/14/76/770091476.db2.gz YOBKADYXZDYVJG-UHFFFAOYSA-N 0 1 255.427 2.577 20 30 CFEDMN Cc1n[nH]cc1CN1CCC(C#N)(c2ccccc2)CC1 ZINC001209554064 770113304 /nfs/dbraw/zinc/11/33/04/770113304.db2.gz GJLUKJDURIHURN-UHFFFAOYSA-N 0 1 280.375 2.776 20 30 CFEDMN C=CC(C)(C)C(=O)NC[C@H]1CCCN1CCC(F)(F)F ZINC001266477306 770196868 /nfs/dbraw/zinc/19/68/68/770196868.db2.gz NEDMCLXCYPXUDR-LLVKDONJSA-N 0 1 292.345 2.732 20 30 CFEDMN CC#CCN(CCNC(=O)[C@@H]1CCCC[C@@H]1CC)C1CC1 ZINC001266615958 770440656 /nfs/dbraw/zinc/44/06/56/770440656.db2.gz WQRBLUXSFBOUPE-DOTOQJQBSA-N 0 1 290.451 2.807 20 30 CFEDMN O=C(/C=C\c1cc(O)ccc1[N+](=O)[O-])c1ccncc1 ZINC000588386569 770470814 /nfs/dbraw/zinc/47/08/14/770470814.db2.gz INSLZXHYGOKZLS-RJRFIUFISA-N 0 1 270.244 2.592 20 30 CFEDMN C=CCN1[C@@H]2CC[C@H]1[C@H](NC(=O)c1ccoc1CCC)C2 ZINC001098212179 770553291 /nfs/dbraw/zinc/55/32/91/770553291.db2.gz LLMGQYKMTMAXTM-YUELXQCFSA-N 0 1 288.391 2.753 20 30 CFEDMN C=C(C)C(C)(C)C(=O)NC[C@H](C)NCC#Cc1ccccc1 ZINC001266963050 770771268 /nfs/dbraw/zinc/77/12/68/770771268.db2.gz YIURTWSKGXBUHI-INIZCTEOSA-N 0 1 298.430 2.735 20 30 CFEDMN C=C(Cl)CN[C@H](C)CNC(=O)C[C@H]1CC=CCC1 ZINC001266961540 770771752 /nfs/dbraw/zinc/77/17/52/770771752.db2.gz KEVKIYWQGJZJMO-OLZOCXBDSA-N 0 1 270.804 2.580 20 30 CFEDMN C[C@H](CNC(=O)CCCC1CC1)NCC#Cc1ccccc1 ZINC001266964141 770772792 /nfs/dbraw/zinc/77/27/92/770772792.db2.gz LBHTZKDDIOWOIZ-MRXNPFEDSA-N 0 1 298.430 2.713 20 30 CFEDMN C=C(Cl)CNCCN(C)C(=O)[C@@H](C)c1ccccc1 ZINC001266988622 770790233 /nfs/dbraw/zinc/79/02/33/770790233.db2.gz LWXLOXWJLCVQJY-ZDUSSCGKSA-N 0 1 280.799 2.591 20 30 CFEDMN N#Cc1ccc(Cl)c(CN2CCC[C@H](CCO)C2)c1 ZINC001140602878 773200495 /nfs/dbraw/zinc/20/04/95/773200495.db2.gz RZPMLHBNHJVWKW-GFCCVEGCSA-N 0 1 278.783 2.806 20 30 CFEDMN CC#CCN(CC)CCNC(=O)C1(CC(C)C)CCC1 ZINC001267244592 773255029 /nfs/dbraw/zinc/25/50/29/773255029.db2.gz JIXFGENEKSTZFO-UHFFFAOYSA-N 0 1 278.440 2.664 20 30 CFEDMN C=CCCC(=O)NC[C@@H]1CCCN1Cc1ccsc1 ZINC001267263537 775118317 /nfs/dbraw/zinc/11/83/17/775118317.db2.gz KQHMFQOSXFCBQN-AWEZNQCLSA-N 0 1 278.421 2.795 20 30 CFEDMN C#CCCCCC(=O)NC[C@@H]1CCCN1C[C@@H](F)CC ZINC001267263089 775118793 /nfs/dbraw/zinc/11/87/93/775118793.db2.gz ILURRCLMXRMHBS-GJZGRUSLSA-N 0 1 282.403 2.509 20 30 CFEDMN CC1=C(OCCOc2ccc3c(c2)CCC3)C(=O)[C@H](C)O1 ZINC001224303011 775150046 /nfs/dbraw/zinc/15/00/46/775150046.db2.gz UBOFJALONBVFHP-NSHDSACASA-N 0 1 288.343 2.790 20 30 CFEDMN CC[C@@H]1OC(C)=C(OCCOc2cccc(C)c2)C1=O ZINC001224411013 775177213 /nfs/dbraw/zinc/17/72/13/775177213.db2.gz XCXHSCOIHFXQCE-AWEZNQCLSA-N 0 1 276.332 3.000 20 30 CFEDMN C=C(C)[C@H]1CC=C(C)[C@H](OCCN2CCN(C)CC2)C1 ZINC001224552942 775217940 /nfs/dbraw/zinc/21/79/40/775217940.db2.gz UTUFSWUHAFCTOJ-DLBZAZTESA-N 0 1 278.440 2.551 20 30 CFEDMN COc1ccc(CN2CCC[C@@H](F)CC2)c(C#N)c1 ZINC001137698502 775253586 /nfs/dbraw/zinc/25/35/86/775253586.db2.gz ZOPWHCZICOCBBJ-CQSZACIVSA-N 0 1 262.328 2.891 20 30 CFEDMN C=CCN1CC[C@H](N(CCC)C(=O)[C@H]2[C@@H]3CCC[C@@H]32)C1 ZINC001267453929 775332415 /nfs/dbraw/zinc/33/24/15/775332415.db2.gz JKXQOYSNGYWUIP-CAOSSQGBSA-N 0 1 276.424 2.531 20 30 CFEDMN C#CCN1C[C@@H]2CCC[C@]2(NC(=O)[C@H](CC)CC(C)C)C1 ZINC001111930549 775374387 /nfs/dbraw/zinc/37/43/87/775374387.db2.gz ZBPCZLXNVSRRGO-RYRKJORJSA-N 0 1 290.451 2.663 20 30 CFEDMN C[C@@]1(O)CCCCN(Cc2cc(F)c(C#N)c(F)c2)C1 ZINC001140751230 775400570 /nfs/dbraw/zinc/40/05/70/775400570.db2.gz OCIWIEOZBCZFQE-OAHLLOKOSA-N 0 1 280.318 2.573 20 30 CFEDMN C#CCN[C@H](CNC(=O)[C@@H](C)CCC)c1ccccc1 ZINC001267517393 775410349 /nfs/dbraw/zinc/41/03/49/775410349.db2.gz PKIDWACFOITUQW-GOEBONIOSA-N 0 1 272.392 2.503 20 30 CFEDMN C#CCN[C@H](CNC(=O)c1cc(C)c(C)o1)c1ccccc1 ZINC001267519677 775415347 /nfs/dbraw/zinc/41/53/47/775415347.db2.gz IDXWUGIGDUOBGD-MRXNPFEDSA-N 0 1 296.370 2.590 20 30 CFEDMN C#CCN1CCCC[C@H]1CNC(=O)c1cccc(C2CC2)c1 ZINC001024817367 775429291 /nfs/dbraw/zinc/42/92/91/775429291.db2.gz YHZLANSSBFYNKE-SFHVURJKSA-N 0 1 296.414 2.782 20 30 CFEDMN C=C(Cl)CN1CCC[C@H]1[C@@H]1CCCCN1C(C)=O ZINC001025178763 775555427 /nfs/dbraw/zinc/55/54/27/775555427.db2.gz HKGQMJLJIDEPPY-KBPBESRZSA-N 0 1 270.804 2.604 20 30 CFEDMN C=C1O[C@H](C)C(=O)C1Oc1ccc(C#N)cc1Cl ZINC001225727187 775575902 /nfs/dbraw/zinc/57/59/02/775575902.db2.gz MJVJDFYQGJNUHH-SSDOTTSWSA-N 0 1 263.680 2.810 20 30 CFEDMN C=C[C@@]1(C)CC[C@@H](Oc2[nH]c(=O)ncc2F)C(C)(C)O1 ZINC001225884674 775623762 /nfs/dbraw/zinc/62/37/62/775623762.db2.gz HWWURAODLNFYHK-YGRLFVJLSA-N 0 1 282.315 2.602 20 30 CFEDMN N#C[C@H](Oc1cccc2[nH]nnc21)c1cccc(F)c1 ZINC001225991720 775659951 /nfs/dbraw/zinc/65/99/51/775659951.db2.gz HKSDLLIEDAANJP-ZDUSSCGKSA-N 0 1 268.251 2.741 20 30 CFEDMN C#CC[N@@H+]1CCC[C@@H]([C@H](C)NC(=O)c2cc(C)cc(C)c2)C1 ZINC001025606402 775707150 /nfs/dbraw/zinc/70/71/50/775707150.db2.gz FOFFERWFXJKOLT-DLBZAZTESA-N 0 1 298.430 2.767 20 30 CFEDMN C=C[C@@]1(C)CC[C@@H](C(C)(C)Oc2nc(C)cc(=O)[nH]2)O1 ZINC001226155891 775719189 /nfs/dbraw/zinc/71/91/89/775719189.db2.gz HNLSFSSBZCNHIM-NHYWBVRUSA-N 0 1 278.352 2.772 20 30 CFEDMN CCC[C@@H](C#Cc1ccccc1)Oc1nccc(=O)[nH]1 ZINC001226327044 775780627 /nfs/dbraw/zinc/78/06/27/775780627.db2.gz PUUHRILHZMORGU-AWEZNQCLSA-N 0 1 268.316 2.781 20 30 CFEDMN C=CCC[C@H](C(=O)NCC1CN(CC=C)C1)c1ccccc1 ZINC001267700317 775790071 /nfs/dbraw/zinc/79/00/71/775790071.db2.gz NIZSLNKKVHYJDM-SFHVURJKSA-N 0 1 298.430 2.970 20 30 CFEDMN C=C(C)CN1C[C@@H]2C[C@H]1CN2C(=O)[C@H](C)C(CC)CC ZINC001267710018 775797776 /nfs/dbraw/zinc/79/77/76/775797776.db2.gz ZHXAJDJCQSPPIU-KBMXLJTQSA-N 0 1 278.440 2.920 20 30 CFEDMN CC(C)CN(CCC#N)C[C@H]1CC[C@@H](C(F)(F)F)O1 ZINC000721381160 775807221 /nfs/dbraw/zinc/80/72/21/775807221.db2.gz BWMHWZZVDIIALY-NEPJUHHUSA-N 0 1 278.318 2.968 20 30 CFEDMN C#C[C@@H](CC(C)C)Oc1[nH]c(=O)nc2ccc(F)cc21 ZINC001226408101 775809386 /nfs/dbraw/zinc/80/93/86/775809386.db2.gz DUSWJPQMBFWLQH-NSHDSACASA-N 0 1 274.295 2.901 20 30 CFEDMN C=C1O[C@@H](CC)C(=O)C1Oc1nc2ccc(C)cc2[nH]1 ZINC001226510395 775853647 /nfs/dbraw/zinc/85/36/47/775853647.db2.gz YKMXUQUVKXHLJZ-LBPRGKRZSA-N 0 1 272.304 2.860 20 30 CFEDMN CC(C)(C)c1ccc(C#N)c(O[C@H]2CN3CCC2CC3)n1 ZINC001226547324 775868393 /nfs/dbraw/zinc/86/83/93/775868393.db2.gz SJUZWQLWDHJXFJ-AWEZNQCLSA-N 0 1 285.391 2.724 20 30 CFEDMN CO[C@@H]1CCN(CCOc2c(C)cc(C#N)cc2Cl)C1 ZINC001226595002 775886707 /nfs/dbraw/zinc/88/67/07/775886707.db2.gz HZMSOGLCURITQP-CYBMUJFWSA-N 0 1 294.782 2.620 20 30 CFEDMN C[C@@H](c1ccccn1)N1CC[C@@H](Oc2cncc(C#N)c2)C1 ZINC001226685516 775920056 /nfs/dbraw/zinc/92/00/56/775920056.db2.gz CAZBXKYZVJIRMK-DZGCQCFKSA-N 0 1 294.358 2.563 20 30 CFEDMN C=C[C@H](CCCCC)Oc1[nH]c(=O)nc2cnncc21 ZINC001226689327 775920974 /nfs/dbraw/zinc/92/09/74/775920974.db2.gz ZRYLTRIDFGTXSK-SNVBAGLBSA-N 0 1 274.324 2.639 20 30 CFEDMN C=C[C@H](CC)Oc1nc(=O)[nH]c(C)c1Br ZINC001226780875 775961964 /nfs/dbraw/zinc/96/19/64/775961964.db2.gz CJOXTRVVLHLWRJ-SSDOTTSWSA-N 0 1 273.130 2.597 20 30 CFEDMN N#CC[C@H](Oc1nc2[nH]cnc2c(=S)[nH]1)c1ccccc1 ZINC001226786306 775963399 /nfs/dbraw/zinc/96/33/99/775963399.db2.gz PGQZSRCJYXJBHU-JTQLQIEISA-N 0 1 297.343 2.675 20 30 CFEDMN C[C@@H]1CN(Cc2ccc(F)cc2C#N)CCC[C@]1(C)O ZINC001141164123 775970539 /nfs/dbraw/zinc/97/05/39/775970539.db2.gz LBVMLUPDZPXTHT-WBMJQRKESA-N 0 1 276.355 2.680 20 30 CFEDMN C#C[C@@H](CCCCC)Oc1n[nH]c(=O)cc1Br ZINC001226845179 775988669 /nfs/dbraw/zinc/98/86/69/775988669.db2.gz BFRZVQKSGGSFSV-VIFPVBQESA-N 0 1 299.168 2.906 20 30 CFEDMN CCC1=C(Oc2ccc3nc[nH]c3c2)C(=O)[C@H](C)O1 ZINC001226929057 776021466 /nfs/dbraw/zinc/02/14/66/776021466.db2.gz XBGMFMHNXMXRER-QMMMGPOBSA-N 0 1 258.277 2.551 20 30 CFEDMN C#C[C@H](Oc1[nH]c(=O)nc2cnccc21)[C@@H](CC)CCCC ZINC001226974109 776039941 /nfs/dbraw/zinc/03/99/41/776039941.db2.gz KIMYXTOPYNZMTB-WFASDCNBSA-N 0 1 299.374 2.915 20 30 CFEDMN C#C[C@@H](CC(C)C)Oc1nc(=O)[nH]c(C)c1Cl ZINC001227111760 776101273 /nfs/dbraw/zinc/10/12/73/776101273.db2.gz QMMCSFCNPMYKFO-VIFPVBQESA-N 0 1 254.717 2.571 20 30 CFEDMN C#C[C@@H](CCCC)Oc1nc(=O)[nH]c(C)c1Cl ZINC001227112362 776103981 /nfs/dbraw/zinc/10/39/81/776103981.db2.gz ZZKHWXVMKHRGOY-VIFPVBQESA-N 0 1 254.717 2.715 20 30 CFEDMN C=C1O[C@H](C)C(=O)C1Oc1cc(F)ccc1C(=O)OCC ZINC001227146018 776114887 /nfs/dbraw/zinc/11/48/87/776114887.db2.gz YHVSHVXYTQGWNY-MRVPVSSYSA-N 0 1 294.278 2.601 20 30 CFEDMN C[N@H+]1CCC[C@@H](Oc2ccc(C#N)c(Cl)c2)C1 ZINC001227204890 776136824 /nfs/dbraw/zinc/13/68/24/776136824.db2.gz ZDMBJIOUONZPBA-GFCCVEGCSA-N 0 1 250.729 2.685 20 30 CFEDMN N#CC[C@@H](Oc1[nH]c(=O)nc2[nH]ccc21)c1ccccc1 ZINC001227270626 776166677 /nfs/dbraw/zinc/16/66/77/776166677.db2.gz JFZNENHGJDTHIG-GFCCVEGCSA-N 0 1 280.287 2.697 20 30 CFEDMN CCC#C[C@@H](C)Oc1[nH]c(=O)nc2ccc(C)cc21 ZINC001227348646 776181874 /nfs/dbraw/zinc/18/18/74/776181874.db2.gz CZGQJVOIVVUKPS-LLVKDONJSA-N 0 1 256.305 2.825 20 30 CFEDMN C=CC[N@H+](CC(=O)[O-])Cc1c(C)oc2ccccc21 ZINC000124246157 776193601 /nfs/dbraw/zinc/19/36/01/776193601.db2.gz SVIIHSSZDNGGEN-UHFFFAOYSA-N 0 1 259.305 2.814 20 30 CFEDMN C=CC[N@@H+](CC(=O)[O-])Cc1c(C)oc2ccccc21 ZINC000124246157 776193605 /nfs/dbraw/zinc/19/36/05/776193605.db2.gz SVIIHSSZDNGGEN-UHFFFAOYSA-N 0 1 259.305 2.814 20 30 CFEDMN N#Cc1ccc(CNCC2SCCS2)c(F)c1 ZINC000692820301 776223652 /nfs/dbraw/zinc/22/36/52/776223652.db2.gz MYAQSNQJYOMNAO-UHFFFAOYSA-N 0 1 268.382 2.593 20 30 CFEDMN C=C[C@@]1(C)CC[C@H](Oc2[nH]c(=S)nnc2C)C(C)(C)O1 ZINC001227602615 776239979 /nfs/dbraw/zinc/23/99/79/776239979.db2.gz UHZBVHIBFWCNSN-HZMBPMFUSA-N 0 1 295.408 2.750 20 30 CFEDMN C[C@H](CC(C)(C)S)Oc1nc(=O)[nH]c2c1CO[C@@H]2C ZINC001227715728 776268923 /nfs/dbraw/zinc/26/89/23/776268923.db2.gz FSFWZTGOVDVVDC-HTQZYQBOSA-N 0 1 284.381 2.639 20 30 CFEDMN C=CC[C@H](CCCC)Oc1c[nH]c(C(=O)OC)cc1=O ZINC001227786207 776289714 /nfs/dbraw/zinc/28/97/14/776289714.db2.gz PALRGMXQXGOHIU-LLVKDONJSA-N 0 1 279.336 2.675 20 30 CFEDMN C=CCC[C@H](C)N1CCO[C@H](CNC(=O)C(C)(C)CC)C1 ZINC001268028002 776321125 /nfs/dbraw/zinc/32/11/25/776321125.db2.gz XIBLPNYEVRSNGZ-LSDHHAIUSA-N 0 1 296.455 2.594 20 30 CFEDMN C=C1O[C@H](C)C(=O)C1Oc1ccc(C(=O)OCCC)cc1 ZINC001228002419 776355753 /nfs/dbraw/zinc/35/57/53/776355753.db2.gz DFUUXXXOMYQLMG-SNVBAGLBSA-N 0 1 290.315 2.852 20 30 CFEDMN N#Cc1ccc([O-])cc1OC1CCN(c2cc[nH+]cc2)CC1 ZINC001228006574 776359989 /nfs/dbraw/zinc/35/99/89/776359989.db2.gz DKNGMYOJVOFYJL-UHFFFAOYSA-N 0 1 295.342 2.707 20 30 CFEDMN C=CCN1CCC[C@H]1CNC(=O)c1sccc1Cl ZINC001027898989 776499583 /nfs/dbraw/zinc/49/95/83/776499583.db2.gz SSCZNPNPKLDZOL-JTQLQIEISA-N 0 1 284.812 2.782 20 30 CFEDMN C#C[C@H](CCCCC)Oc1[nH]c(=O)ncc1Cl ZINC001228479233 776503731 /nfs/dbraw/zinc/50/37/31/776503731.db2.gz BUUYBRMDFSJXQH-SECBINFHSA-N 0 1 254.717 2.797 20 30 CFEDMN N#C[C@H](Oc1[nH]c(=O)ncc1Cl)c1cccc(F)c1 ZINC001228483758 776505160 /nfs/dbraw/zinc/50/51/60/776505160.db2.gz XJJRZPVDQPKOMW-JTQLQIEISA-N 0 1 279.658 2.618 20 30 CFEDMN C=CCN1CCC[C@@H]1CNC(=O)c1cccc(C(C)C)n1 ZINC001028002012 776549440 /nfs/dbraw/zinc/54/94/40/776549440.db2.gz NTSNFHVMXDLNRG-CQSZACIVSA-N 0 1 287.407 2.585 20 30 CFEDMN C=CC[N@@H+]1CCC[C@@H]1CNC(=O)c1cc(Cl)ccc1F ZINC001028010847 776555359 /nfs/dbraw/zinc/55/53/59/776555359.db2.gz FFGVLACLQKATLZ-GFCCVEGCSA-N 0 1 296.773 2.859 20 30 CFEDMN C=CCN1CCC[C@@H]1CNC(=O)c1cc(Cl)ccc1F ZINC001028010847 776555361 /nfs/dbraw/zinc/55/53/61/776555361.db2.gz FFGVLACLQKATLZ-GFCCVEGCSA-N 0 1 296.773 2.859 20 30 CFEDMN CC#CCN1CCC[C@H]1CNC(=O)C1CCCCCCC1 ZINC001028017568 776558503 /nfs/dbraw/zinc/55/85/03/776558503.db2.gz VASRBEGPIBUBEG-KRWDZBQOSA-N 0 1 290.451 2.951 20 30 CFEDMN N#C[C@H](Oc1ccc2[nH]nnc2c1)c1ccccc1 ZINC001228668183 776560929 /nfs/dbraw/zinc/56/09/29/776560929.db2.gz ZFGHZJYFVHJNBV-AWEZNQCLSA-N 0 1 250.261 2.602 20 30 CFEDMN CC#CCCCC(=O)NC1CCN(C/C=C/Cl)CC1 ZINC001228779269 776609694 /nfs/dbraw/zinc/60/96/94/776609694.db2.gz JZDPVSPUCKOLRC-UXBLZVDNSA-N 0 1 282.815 2.513 20 30 CFEDMN C=C(C)CN1CCC[C@@H]1CNC(=O)c1nc(Cl)cs1 ZINC001028097543 776617346 /nfs/dbraw/zinc/61/73/46/776617346.db2.gz WXPYBKIZNXFVLU-SNVBAGLBSA-N 0 1 299.827 2.567 20 30 CFEDMN C=C(C)C[C@@H](C)C(=O)NC1CCN(C/C=C\Cl)CC1 ZINC001228810552 776621360 /nfs/dbraw/zinc/62/13/60/776621360.db2.gz WXXDNCUQMLWHRL-LLPBQKLSSA-N 0 1 284.831 2.922 20 30 CFEDMN C=C(C)CN1CCC[C@H]1CNC(=O)c1occc1Cl ZINC001028115478 776635508 /nfs/dbraw/zinc/63/55/08/776635508.db2.gz NHZONXQRHIZEEZ-NSHDSACASA-N 0 1 282.771 2.703 20 30 CFEDMN C=C1O[C@H](C)C(=O)C1Oc1cc(Cl)cc(Cl)n1 ZINC001229046811 776700214 /nfs/dbraw/zinc/70/02/14/776700214.db2.gz DEQGGLCJGCQTBE-RXMQYKEDSA-N 0 1 274.103 2.987 20 30 CFEDMN C=CCCC(=O)NC[C@@H](NCc1ncc(C)s1)C(C)C ZINC001268204198 776704017 /nfs/dbraw/zinc/70/40/17/776704017.db2.gz HJRMXVMCKPHKLC-CYBMUJFWSA-N 0 1 295.452 2.648 20 30 CFEDMN CCN1CC[C@H](Oc2cccc(C#N)c2Cl)C1 ZINC001229067574 776707008 /nfs/dbraw/zinc/70/70/08/776707008.db2.gz NPLTUFNHYHFGOU-NSHDSACASA-N 0 1 250.729 2.685 20 30 CFEDMN CC#CCN(C)CCN(C)C(=O)c1cccc(C(F)F)c1 ZINC001268254832 776723545 /nfs/dbraw/zinc/72/35/45/776723545.db2.gz DVYGLIDQTKZCSW-UHFFFAOYSA-N 0 1 294.345 2.651 20 30 CFEDMN C=CC[C@H](Oc1[nH]c(=O)[nH]c(=O)c1F)c1ccccc1 ZINC001229124428 776727512 /nfs/dbraw/zinc/72/75/12/776727512.db2.gz MDWDTVILBGPYLF-JTQLQIEISA-N 0 1 276.267 2.723 20 30 CFEDMN C=CCC[C@@H](C)N1CC(NC(=O)[C@@H](C)CCCC)C1 ZINC001268296512 776742176 /nfs/dbraw/zinc/74/21/76/776742176.db2.gz NZYKLOQGJBCCNT-UONOGXRCSA-N 0 1 266.429 2.968 20 30 CFEDMN C=CCC[C@@H](C)N1CC(NC(=O)C(C)=C2CCC2)C1 ZINC001268295922 776742324 /nfs/dbraw/zinc/74/23/24/776742324.db2.gz JTKVATXRHPUOPU-GFCCVEGCSA-N 0 1 262.397 2.642 20 30 CFEDMN C#CCN1CCC[C@H]1CNC(=O)c1cccc(C(C)C)c1 ZINC001028244420 776747212 /nfs/dbraw/zinc/74/72/12/776747212.db2.gz CAMRTUSJMJYPFU-KRWDZBQOSA-N 0 1 284.403 2.637 20 30 CFEDMN C=C(C)CCN1CC[C@H]1CNC(=O)c1ccc(C(F)F)o1 ZINC001038967957 776750107 /nfs/dbraw/zinc/75/01/07/776750107.db2.gz INHRGTSVYAOXRJ-NSHDSACASA-N 0 1 298.333 2.988 20 30 CFEDMN C#CCN1CCC[C@@H]1CNC(=O)c1cccc(C2CCC2)c1 ZINC001028258582 776765406 /nfs/dbraw/zinc/76/54/06/776765406.db2.gz UOPJFSKZHBMCQT-GOSISDBHSA-N 0 1 296.414 2.782 20 30 CFEDMN C=CC(C)(C)CC(=O)N[C@H](C)CCNCc1coc(C)n1 ZINC001268370549 776767982 /nfs/dbraw/zinc/76/79/82/776767982.db2.gz LGUKHFKQROSFPF-GFCCVEGCSA-N 0 1 293.411 2.570 20 30 CFEDMN C=C(C)CN1CCC[C@@H]1CNC(=O)c1sccc1OC ZINC001028275466 776785880 /nfs/dbraw/zinc/78/58/80/776785880.db2.gz ZTDMVUAUFHQJLT-GFCCVEGCSA-N 0 1 294.420 2.527 20 30 CFEDMN C=CCC[C@H](C)N1CC(NC(=O)c2cc3ccccn3c2)C1 ZINC001268457068 776841105 /nfs/dbraw/zinc/84/11/05/776841105.db2.gz XYIBJOXQKOLTDC-AWEZNQCLSA-N 0 1 297.402 2.708 20 30 CFEDMN C=CCN1CCC[C@H]1CNC(=O)c1cc(CC)c(C)s1 ZINC001028305129 776847369 /nfs/dbraw/zinc/84/73/69/776847369.db2.gz HLAZBYFKCCEQSW-AWEZNQCLSA-N 0 1 292.448 2.999 20 30 CFEDMN C=C1O[C@H](CC)C(=O)C1Oc1ccc(OCCOC)cc1 ZINC001229579069 776850745 /nfs/dbraw/zinc/85/07/45/776850745.db2.gz SYWQJRWVUOEPFR-CQSZACIVSA-N 0 1 292.331 2.700 20 30 CFEDMN CC#CCN1CCC(NC(=O)[C@H](C)[C@H](C)C(C)(C)C)CC1 ZINC001229574342 776850932 /nfs/dbraw/zinc/85/09/32/776850932.db2.gz AGIPYBQXJNTGQL-CABCVRRESA-N 0 1 292.467 2.909 20 30 CFEDMN CC#CCN1CCC[C@@H]1CNC(=O)c1cccc(C2CC2)c1 ZINC001028339653 776863081 /nfs/dbraw/zinc/86/30/81/776863081.db2.gz YYRNKCHNKUUPKZ-GOSISDBHSA-N 0 1 296.414 2.782 20 30 CFEDMN CC#CCN1CCC[C@H]1CNC(=O)C1CCC(C)(C)CC1 ZINC001028343938 776864634 /nfs/dbraw/zinc/86/46/34/776864634.db2.gz ZQLYHGRAUYCALK-INIZCTEOSA-N 0 1 290.451 2.807 20 30 CFEDMN C/C(=C/C(=O)N[C@H](C)CNCc1ccccc1C#N)C1CC1 ZINC001268639513 777005127 /nfs/dbraw/zinc/00/51/27/777005127.db2.gz LAECRPMFXYDNLS-RNQWEJQRSA-N 0 1 297.402 2.509 20 30 CFEDMN C#CCCN1CC[C@@H]1CN(C)C(=O)CCC1CCCC1 ZINC001230671339 777041388 /nfs/dbraw/zinc/04/13/88/777041388.db2.gz NIFBYHFTTHKYRJ-MRXNPFEDSA-N 0 1 276.424 2.513 20 30 CFEDMN CC#CC[N@H+](C)C[C@@H](C)NC(=O)c1cc(C)c(CC)s1 ZINC001268756060 777045404 /nfs/dbraw/zinc/04/54/04/777045404.db2.gz GMVGGEUSENSLRZ-CYBMUJFWSA-N 0 1 292.448 2.692 20 30 CFEDMN CC#CCN(C)C[C@@H](C)NC(=O)c1cc(C)c(CC)s1 ZINC001268756060 777045407 /nfs/dbraw/zinc/04/54/07/777045407.db2.gz GMVGGEUSENSLRZ-CYBMUJFWSA-N 0 1 292.448 2.692 20 30 CFEDMN C#CC[N@H+](C)C[C@@H](C)NC(=O)c1c(Cl)cccc1Cl ZINC001268754987 777046456 /nfs/dbraw/zinc/04/64/56/777046456.db2.gz NYHISMFGXMVIGD-SNVBAGLBSA-N 0 1 299.201 2.677 20 30 CFEDMN C#CCN(C)C[C@@H](C)NC(=O)c1c(Cl)cccc1Cl ZINC001268754987 777046457 /nfs/dbraw/zinc/04/64/57/777046457.db2.gz NYHISMFGXMVIGD-SNVBAGLBSA-N 0 1 299.201 2.677 20 30 CFEDMN CC#CCN(C)C[C@H](C)NC(=O)C1(C)C(C)(C)C1(C)C ZINC001268762064 777048761 /nfs/dbraw/zinc/04/87/61/777048761.db2.gz HGSORWYDFPMIHH-ZDUSSCGKSA-N 0 1 278.440 2.519 20 30 CFEDMN C#C[C@H]1CCC[C@@H]1Oc1[nH]c(=O)nc2ccc(OC)cc21 ZINC001230862721 777077583 /nfs/dbraw/zinc/07/75/83/777077583.db2.gz SYNVBXJJALXMBW-HZMBPMFUSA-N 0 1 284.315 2.525 20 30 CFEDMN C=C[C@]1(C)CC[C@H](C(C)(C)Oc2nncc3n[nH]cc32)O1 ZINC001230901407 777088160 /nfs/dbraw/zinc/08/81/60/777088160.db2.gz PNSMYOHGQRQAOU-IUODEOHRSA-N 0 1 288.351 2.634 20 30 CFEDMN C=C[C@@]1(C)CC[C@@H](Oc2nncc3n[nH]cc32)C(C)(C)O1 ZINC001230901770 777088225 /nfs/dbraw/zinc/08/82/25/777088225.db2.gz UETAMWMMMSBYMP-DOMZBBRYSA-N 0 1 288.351 2.634 20 30 CFEDMN CCC[C@H](C#Cc1ccccc1)Oc1nncc2n[nH]cc21 ZINC001230900369 777088366 /nfs/dbraw/zinc/08/83/66/777088366.db2.gz HKPZFCLOIWBHSB-CQSZACIVSA-N 0 1 292.342 2.952 20 30 CFEDMN C=C(Cl)CNC[C@@H](NC(=O)C1(C)CC(=C)C1)C1CC1 ZINC001269117087 777103709 /nfs/dbraw/zinc/10/37/09/777103709.db2.gz XMHQIHQFRVUBEN-CYBMUJFWSA-N 0 1 282.815 2.580 20 30 CFEDMN C#CCCCCC(=O)N[C@@H]1CCN(Cc2ccsc2)C1 ZINC001269121318 777106242 /nfs/dbraw/zinc/10/62/42/777106242.db2.gz BCVSFIZOPLMNSW-OAHLLOKOSA-N 0 1 290.432 2.632 20 30 CFEDMN C[C@H](CS)Oc1nc2cc(Cl)nc(Cl)c2[nH]1 ZINC001231050414 777124839 /nfs/dbraw/zinc/12/48/39/777124839.db2.gz SNBYNCABPRPLIG-SCSAIBSYSA-N 0 1 278.164 2.962 20 30 CFEDMN CC#CC[C@@H](CC)Oc1nc(Cl)nc2[nH]ncc21 ZINC001231047284 777125587 /nfs/dbraw/zinc/12/55/87/777125587.db2.gz OANKQKPWKVPNPR-MRVPVSSYSA-N 0 1 264.716 2.577 20 30 CFEDMN C=CCCC(=O)N(C)[C@H]1CCN(Cc2cccc(F)c2)C1 ZINC001269221396 777142807 /nfs/dbraw/zinc/14/28/07/777142807.db2.gz JQHGGQNHMZPZSG-INIZCTEOSA-N 0 1 290.382 2.825 20 30 CFEDMN C/C=C(\C)C(=O)N(C)[C@H]1CCN(Cc2ccc(C#N)cc2)C1 ZINC001269227916 777145827 /nfs/dbraw/zinc/14/58/27/777145827.db2.gz UYUWAKGKHRRLJC-MYRMFFISSA-N 0 1 297.402 2.557 20 30 CFEDMN C=CCN1CC[C@H](N(C)C(=O)[C@H](C)C(CC)CC)C1 ZINC001269250365 777149626 /nfs/dbraw/zinc/14/96/26/777149626.db2.gz DNDSTQWATDXHIU-HIFRSBDPSA-N 0 1 266.429 2.777 20 30 CFEDMN C=CCCC(=O)N(CC)[C@H]1CCN(C[C@H](F)CC)C1 ZINC001269311885 777166302 /nfs/dbraw/zinc/16/63/02/777166302.db2.gz ALFONRJDGCEMAF-KGLIPLIRSA-N 0 1 270.392 2.624 20 30 CFEDMN CCCCCCCN1CC[C@@H]1CN(C)C(=O)c1cocn1 ZINC001231198953 777169796 /nfs/dbraw/zinc/16/97/96/777169796.db2.gz VKPBOVFHTVYMCV-CQSZACIVSA-N 0 1 293.411 2.791 20 30 CFEDMN C=C[C@@H](C#CC(C)(C)C)Oc1nc(C)cc(O)c1[N+](=O)[O-] ZINC001231262908 777180246 /nfs/dbraw/zinc/18/02/46/777180246.db2.gz HVRRNKISRPSWFU-NSHDSACASA-N 0 1 290.319 2.987 20 30 CFEDMN C=C(Cl)CNC1(CNC(=O)C[C@@H]2C=CCCC2)CC1 ZINC001269432640 777188928 /nfs/dbraw/zinc/18/89/28/777188928.db2.gz KBRUNJNGGBICFH-CYBMUJFWSA-N 0 1 282.815 2.724 20 30 CFEDMN C=CCC(C)(C)C(=O)NC[C@@H](CC)NCc1conc1C ZINC001269477382 777195679 /nfs/dbraw/zinc/19/56/79/777195679.db2.gz NFVCYIXJJSULJW-CQSZACIVSA-N 0 1 293.411 2.570 20 30 CFEDMN N#C[C@H]1CCC[N@H+](Cc2ccc(C(=O)[O-])s2)CC1 ZINC001231464010 777228249 /nfs/dbraw/zinc/22/82/49/777228249.db2.gz BQMZQKVLUXVNRR-JTQLQIEISA-N 0 1 264.350 2.572 20 30 CFEDMN COc1cc(C#N)ccc1CN1CC[C@](C)(CF)C1 ZINC001231617388 777280609 /nfs/dbraw/zinc/28/06/09/777280609.db2.gz VTNQLGNNDXHXJU-OAHLLOKOSA-N 0 1 262.328 2.748 20 30 CFEDMN C=CCOC(=O)[C@@H](Nc1cncc2nc[nH]c21)[C@@H](C)CC ZINC001167959232 777281231 /nfs/dbraw/zinc/28/12/31/777281231.db2.gz BRUDLLPRQDSDJM-GWCFXTLKSA-N 0 1 288.351 2.514 20 30 CFEDMN C=CCOc1cccc(CN2CC3(CSC3)C2)c1 ZINC001231624573 777284060 /nfs/dbraw/zinc/28/40/60/777284060.db2.gz QJHLNZGWEQPWBI-UHFFFAOYSA-N 0 1 261.390 2.800 20 30 CFEDMN C=C(Cl)CNC[C@H]1CCCN1C(=O)/C=C(/C)CC ZINC001270041415 777293479 /nfs/dbraw/zinc/29/34/79/777293479.db2.gz AYXVNFHWCLSJAE-BIRHUZIMSA-N 0 1 270.804 2.676 20 30 CFEDMN C#Cc1cccc(CN2CCC(Oc3cnccn3)CC2)c1 ZINC001231661533 777298648 /nfs/dbraw/zinc/29/86/48/777298648.db2.gz VPQNDUKYNFOJDP-UHFFFAOYSA-N 0 1 293.370 2.501 20 30 CFEDMN N#Cc1ccc2c(c1)CN(Cc1ccc3c[nH]nc3c1)CC2 ZINC001231905240 777377220 /nfs/dbraw/zinc/37/72/20/777377220.db2.gz HUWWNDPDTZLZDD-UHFFFAOYSA-N 0 1 288.354 2.993 20 30 CFEDMN CCCC[C@H](CC)CN1C[C@H]2C[C@@H](C1)N2C(=O)[C@H](C)C#N ZINC001270501576 777394373 /nfs/dbraw/zinc/39/43/73/777394373.db2.gz NCZAJRAIPNKYEG-QXSJWSMHSA-N 0 1 291.439 2.648 20 30 CFEDMN N#Cc1ccc2c(c1)CN(Cc1cccc3c[nH]nc31)CC2 ZINC001231970614 777396828 /nfs/dbraw/zinc/39/68/28/777396828.db2.gz VPGTVEHHUUHHCE-UHFFFAOYSA-N 0 1 288.354 2.993 20 30 CFEDMN C=CCC[C@H](C)N1CCO[C@@H](CNC(=O)CCC(C)C)C1 ZINC001270621334 777425053 /nfs/dbraw/zinc/42/50/53/777425053.db2.gz XXOQCVRTTQBCGC-HOTGVXAUSA-N 0 1 296.455 2.594 20 30 CFEDMN Cc1nc(CCN(C)Cc2ccc(C#N)c(Cl)c2)no1 ZINC001232112286 777444512 /nfs/dbraw/zinc/44/45/12/777444512.db2.gz SKKVZWFKGJABRJ-UHFFFAOYSA-N 0 1 290.754 2.578 20 30 CFEDMN C#C[C@@H]1CCC[N@H+](Cc2cc(Cl)c(OC)cc2O)C1 ZINC001232269761 777501234 /nfs/dbraw/zinc/50/12/34/777501234.db2.gz JYXAYTVBJXIJIR-LLVKDONJSA-N 0 1 279.767 2.899 20 30 CFEDMN C#C[C@@H]1CCC[N@@H+](Cc2cc(Cl)c(OC)cc2[O-])C1 ZINC001232269761 777501237 /nfs/dbraw/zinc/50/12/37/777501237.db2.gz JYXAYTVBJXIJIR-LLVKDONJSA-N 0 1 279.767 2.899 20 30 CFEDMN C#C[C@@H]1CCC[N@H+](Cc2cc(Cl)c(OC)cc2[O-])C1 ZINC001232269761 777501239 /nfs/dbraw/zinc/50/12/39/777501239.db2.gz JYXAYTVBJXIJIR-LLVKDONJSA-N 0 1 279.767 2.899 20 30 CFEDMN COCc1ccc(CN2CCC3SC(=O)C=C3C2)cc1 ZINC001232299636 777509296 /nfs/dbraw/zinc/50/92/96/777509296.db2.gz GUDBIYFKOJEJLN-HNNXBMFYSA-N 0 1 289.400 2.607 20 30 CFEDMN C=CCCCN1CC(N(C)C(=O)[C@@H]2CCC2(C)C)C1 ZINC001277643582 777509435 /nfs/dbraw/zinc/50/94/35/777509435.db2.gz FJJHZVNZQQWYGC-AWEZNQCLSA-N 0 1 264.413 2.531 20 30 CFEDMN CC#CCN1CC[C@H](NC(=O)c2cc(C)oc2C)[C@H]1CC ZINC001087500609 777523776 /nfs/dbraw/zinc/52/37/76/777523776.db2.gz SBYPOQKMVPANKT-JKSUJKDBSA-N 0 1 288.391 2.502 20 30 CFEDMN C=CCCCN1CC(N(C)C(=O)[C@H]2C[C@@H]2c2ccccc2)C1 ZINC001277670541 777574290 /nfs/dbraw/zinc/57/42/90/777574290.db2.gz DTHUWHRLDURVQR-MSOLQXFVSA-N 0 1 298.430 2.899 20 30 CFEDMN C=C(Cl)CNC[C@H](C)N(C)C(=O)CC(C)(C)C ZINC001270894224 777581363 /nfs/dbraw/zinc/58/13/63/777581363.db2.gz BQWXFUZOOSPBFG-NSHDSACASA-N 0 1 260.809 2.612 20 30 CFEDMN C#C[C@H]1CCCN(Cc2ccc(C(=O)OC)cc2Cl)C1 ZINC001232580670 777609178 /nfs/dbraw/zinc/60/91/78/777609178.db2.gz HJTAKJLWWREQQE-LBPRGKRZSA-N 0 1 291.778 2.972 20 30 CFEDMN C=C(C)CCC(=O)N(C)[C@H](C)CNCc1conc1CC ZINC001270978341 777619681 /nfs/dbraw/zinc/61/96/81/777619681.db2.gz ZVELGKIVOVSDRB-CYBMUJFWSA-N 0 1 293.411 2.530 20 30 CFEDMN CC1(C#N)CN(Cc2cc(F)c(O)c(Br)c2)C1 ZINC001232630679 777625440 /nfs/dbraw/zinc/62/54/40/777625440.db2.gz UWZMJPQIMODNMD-UHFFFAOYSA-N 0 1 299.143 2.639 20 30 CFEDMN N#CCC1CN(Cc2cc(F)c(O)c(Br)c2)C1 ZINC001232630828 777625976 /nfs/dbraw/zinc/62/59/76/777625976.db2.gz ZGZGAHACMMSWAQ-UHFFFAOYSA-N 0 1 299.143 2.639 20 30 CFEDMN CC[N@@H+](Cc1ccncc1)Cc1cc(C#N)ccc1[O-] ZINC001232673988 777636219 /nfs/dbraw/zinc/63/62/19/777636219.db2.gz PIFIMSACYTZRBE-UHFFFAOYSA-N 0 1 267.332 2.681 20 30 CFEDMN C=C(C)C(C)(C)C(=O)N(C)[C@@H](C)CNCc1ocnc1C ZINC001271060704 777639652 /nfs/dbraw/zinc/63/96/52/777639652.db2.gz YMCJNWCAPRHNGH-LBPRGKRZSA-N 0 1 293.411 2.522 20 30 CFEDMN C=CC[C@@H](C)Oc1nc(=O)[nH]c(C)c1Br ZINC001226781427 777645213 /nfs/dbraw/zinc/64/52/13/777645213.db2.gz GWKKTILHOQFKOR-ZCFIWIBFSA-N 0 1 273.130 2.597 20 30 CFEDMN CC#CCN1CC[C@H](NC(=O)[C@@]2(C)CC=CCC2)[C@H]1CC ZINC001087584334 777663204 /nfs/dbraw/zinc/66/32/04/777663204.db2.gz AOXNWEBBEHOZFZ-JZXOWHBKSA-N 0 1 288.435 2.725 20 30 CFEDMN COc1cc(O)cc(CN(C)Cc2cccc(C#N)c2)c1 ZINC001232809212 777677433 /nfs/dbraw/zinc/67/74/33/777677433.db2.gz NZKYUZVRMNGIFS-UHFFFAOYSA-N 0 1 282.343 2.904 20 30 CFEDMN CCCCN(CCC#N)Cc1ccc(N(C)C)cc1O ZINC001232839611 777689093 /nfs/dbraw/zinc/68/90/93/777689093.db2.gz RHUOQJVJYNJGHS-UHFFFAOYSA-N 0 1 275.396 2.974 20 30 CFEDMN CC(C)[N@H+]1CCN(Cc2ccc(C#N)s2)C[C@@H]1C ZINC001232845411 777691282 /nfs/dbraw/zinc/69/12/82/777691282.db2.gz VYYWTLHXZRQYJX-LBPRGKRZSA-N 0 1 263.410 2.534 20 30 CFEDMN CC(C)N1CCN(Cc2ccc(C#N)s2)C[C@@H]1C ZINC001232845411 777691287 /nfs/dbraw/zinc/69/12/87/777691287.db2.gz VYYWTLHXZRQYJX-LBPRGKRZSA-N 0 1 263.410 2.534 20 30 CFEDMN N#Cc1ccc(CN2CCC(N3CC(F)(F)C3)CC2)s1 ZINC001232845493 777691898 /nfs/dbraw/zinc/69/18/98/777691898.db2.gz DVQLJUOQMKJDCB-UHFFFAOYSA-N 0 1 297.374 2.535 20 30 CFEDMN C=CCN1CC[C@H](NC(=O)c2cnoc2C(C)C)[C@H]1CC ZINC001087781757 777698248 /nfs/dbraw/zinc/69/82/48/777698248.db2.gz CPWLRSRRWHVIEO-UONOGXRCSA-N 0 1 291.395 2.567 20 30 CFEDMN CC#CCN1CC[C@H](NC(=O)C2(F)CCCCC2)[C@H]1CC ZINC001087784241 777699718 /nfs/dbraw/zinc/69/97/18/777699718.db2.gz UPSGOUGGUOSHPX-LSDHHAIUSA-N 0 1 294.414 2.651 20 30 CFEDMN C[C@]1(CO)CCCN(Cc2cc(F)ccc2C#N)CC1 ZINC001232888601 777707038 /nfs/dbraw/zinc/70/70/38/777707038.db2.gz HJOGUKWCJSGYKI-INIZCTEOSA-N 0 1 276.355 2.682 20 30 CFEDMN C[C@H]1CN(Cc2cc(F)ccc2C#N)CCC[C@]1(C)O ZINC001232888818 777707311 /nfs/dbraw/zinc/70/73/11/777707311.db2.gz PKVNMKPHDGWWBB-LRDDRELGSA-N 0 1 276.355 2.680 20 30 CFEDMN N#Cc1cccc(CN2CCC(Cc3ccncc3)CC2)n1 ZINC001232926295 777721521 /nfs/dbraw/zinc/72/15/21/777721521.db2.gz HNGIRAKHZQAECL-UHFFFAOYSA-N 0 1 292.386 2.803 20 30 CFEDMN N#C[C@@H]1CCCN(Cc2ccc3ncoc3c2)CC1 ZINC001232942927 777730484 /nfs/dbraw/zinc/73/04/84/777730484.db2.gz PGVAWVUFJLSTSX-GFCCVEGCSA-N 0 1 255.321 2.953 20 30 CFEDMN CCOC1CCN(Cc2ccc(C)cc2C#N)CC1 ZINC001232966015 777740617 /nfs/dbraw/zinc/74/06/17/777740617.db2.gz CUWDRNWEOGZYGP-UHFFFAOYSA-N 0 1 258.365 2.868 20 30 CFEDMN COC(=O)[C@]1(C)CCCN(Cc2ccc(C)cc2C#N)C1 ZINC001232967381 777742931 /nfs/dbraw/zinc/74/29/31/777742931.db2.gz KGIDVPBSQKJZFY-QGZVFWFLSA-N 0 1 286.375 2.642 20 30 CFEDMN Cc1ccc(CN2C[C@H]3CCCC(=O)[C@@H]3C2)c(C#N)c1 ZINC001232969498 777745019 /nfs/dbraw/zinc/74/50/19/777745019.db2.gz QQDSWQNKFAQHFL-GDBMZVCRSA-N 0 1 268.360 2.668 20 30 CFEDMN Cc1ncc(F)cc1CN1[C@@H]2CC[C@H]1C[C@H](C#N)C2 ZINC001232990758 777754295 /nfs/dbraw/zinc/75/42/95/777754295.db2.gz PZVBCSMCZLOMNE-UWEBFBLFSA-N 0 1 259.328 2.796 20 30 CFEDMN CN(C)c1ccc(CN2CC[C@](C)(CF)C2)c(F)c1C#N ZINC001233098387 777795345 /nfs/dbraw/zinc/79/53/45/777795345.db2.gz KDJXUKRHNFMRSB-MRXNPFEDSA-N 0 1 293.361 2.945 20 30 CFEDMN N#C[C@H]1CCCCN1Cc1n[nH]c2cc(F)ccc21 ZINC001233122602 777801427 /nfs/dbraw/zinc/80/14/27/777801427.db2.gz CBQKJTWXWWKRQY-LLVKDONJSA-N 0 1 258.300 2.580 20 30 CFEDMN C=CC(C)(C)C(=O)N1C[C@H]2CCN(C/C=C/Cl)C[C@H]2C1 ZINC001088066242 777801558 /nfs/dbraw/zinc/80/15/58/777801558.db2.gz CKHGFGXUYUREJM-UMGRQFOVSA-N 0 1 296.842 2.731 20 30 CFEDMN N#C[C@@H]1CN(Cc2ccc(Cl)c(F)c2F)CCC1=O ZINC001233211354 777827996 /nfs/dbraw/zinc/82/79/96/777827996.db2.gz SXIUVZRMSMVOLK-SECBINFHSA-N 0 1 284.693 2.533 20 30 CFEDMN N#CC[C@H]1CCC[N@H+](Cc2c([O-])ccc(F)c2F)C1 ZINC001233334556 777892070 /nfs/dbraw/zinc/89/20/70/777892070.db2.gz LLTGOWCPBLXLAS-SNVBAGLBSA-N 0 1 266.291 2.796 20 30 CFEDMN CCC(=O)N1CCCCC[C@@H](NCc2ccccc2C#N)C1 ZINC001088241686 777911827 /nfs/dbraw/zinc/91/18/27/777911827.db2.gz DWWBVRJUPLLRJB-QGZVFWFLSA-N 0 1 299.418 2.829 20 30 CFEDMN N#Cc1ccc(C[N@H+]2CCO[C@H](c3ccccc3)C2)c([O-])c1 ZINC001233386199 777926112 /nfs/dbraw/zinc/92/61/12/777926112.db2.gz JTCZYERZYFGFPK-SFHVURJKSA-N 0 1 294.354 2.837 20 30 CFEDMN Cc1nc2c(s1)C[N@@H+](Cc1ccc(C#N)cc1[O-])CC2 ZINC001233386220 777927708 /nfs/dbraw/zinc/92/77/08/777927708.db2.gz KKYVBSSFVGLOBS-UHFFFAOYSA-N 0 1 285.372 2.587 20 30 CFEDMN C[N@@H+](Cc1ccc2c(c1)OCO2)Cc1ccc(C#N)cc1[O-] ZINC001233386610 777928724 /nfs/dbraw/zinc/92/87/24/777928724.db2.gz ANTHYZZAIPRTJI-UHFFFAOYSA-N 0 1 296.326 2.625 20 30 CFEDMN C=CCN(C)Cc1cnc2c(Br)cccn12 ZINC001233472327 777962300 /nfs/dbraw/zinc/96/23/00/777962300.db2.gz ORIOMZPNAHGWGL-UHFFFAOYSA-N 0 1 280.169 2.715 20 30 CFEDMN C=C[C@H](C#CC(C)(C)C)Oc1n[nH]c(=O)cc1Cl ZINC001233591292 778000561 /nfs/dbraw/zinc/00/05/61/778000561.db2.gz WBPNNBBARPMCJH-SECBINFHSA-N 0 1 266.728 2.819 20 30 CFEDMN N#C[C@@H](Oc1n[nH]c(=O)cc1Cl)c1ccccc1F ZINC001233588497 778000610 /nfs/dbraw/zinc/00/06/10/778000610.db2.gz FGKRHBSITZSGPS-SNVBAGLBSA-N 0 1 279.658 2.618 20 30 CFEDMN C=C(Cl)CNC[C@@H]1CCCN1C(=O)/C=C/C(C)(C)C ZINC001277824349 778135075 /nfs/dbraw/zinc/13/50/75/778135075.db2.gz WZISAJQASOSFGK-GWJCSSMESA-N 0 1 284.831 2.922 20 30 CFEDMN CC(C)C#CC(=O)N(C)C[C@H]1CCN1[C@H](C)c1ccccc1 ZINC001234130921 778171707 /nfs/dbraw/zinc/17/17/07/778171707.db2.gz ORANDADHJRYGKX-SJLPKXTDSA-N 0 1 298.430 2.940 20 30 CFEDMN C=C1O[C@H](C)C(=O)C1Oc1ccc(F)c(F)c1OC ZINC001234204543 778185312 /nfs/dbraw/zinc/18/53/12/778185312.db2.gz RLAVCLWVDINAGM-ZCFIWIBFSA-N 0 1 270.231 2.572 20 30 CFEDMN CC#CCN1CC[C@@H]2[C@@H]1CCCN2C(=O)C1(CCC)CC1 ZINC001272033204 778186049 /nfs/dbraw/zinc/18/60/49/778186049.db2.gz HGCOHVBFWQPBKI-JKSUJKDBSA-N 0 1 288.435 2.655 20 30 CFEDMN C=C1O[C@H](C)C(=O)C1Oc1ccc(OC)c(Cl)c1 ZINC001234222611 778189466 /nfs/dbraw/zinc/18/94/66/778189466.db2.gz XTWUHSYJXJRUQB-SSDOTTSWSA-N 0 1 268.696 2.947 20 30 CFEDMN C=C[C@H](CCC)Oc1cc(O)c(C(=O)OC)cc1[N+](=O)[O-] ZINC001228813571 778199158 /nfs/dbraw/zinc/19/91/58/778199158.db2.gz DEQCATXFBRGEDJ-SECBINFHSA-N 0 1 295.291 2.821 20 30 CFEDMN C#CC[C@H](C)Oc1[nH]c(=O)nc2ccc(Cl)cc21 ZINC001228911616 778208260 /nfs/dbraw/zinc/20/82/60/778208260.db2.gz FVCUTKCBJLUGEB-QMMMGPOBSA-N 0 1 262.696 2.779 20 30 CFEDMN C=CC[C@H](C=C)Oc1[nH]c(=O)nc2cccc(C#N)c21 ZINC001234514449 778240931 /nfs/dbraw/zinc/24/09/31/778240931.db2.gz VPBAGCONBVOXLA-NSHDSACASA-N 0 1 267.288 2.717 20 30 CFEDMN C=CC[C@@H](C=C)Oc1[nH]c(=O)nc2ccc(C#N)cc21 ZINC001234520304 778242712 /nfs/dbraw/zinc/24/27/12/778242712.db2.gz QCTXWQHFVQWSQP-LLVKDONJSA-N 0 1 267.288 2.717 20 30 CFEDMN N#Cc1ccc2nc(=O)[nH]c(OC3CCCC3)c2c1 ZINC001234529804 778245427 /nfs/dbraw/zinc/24/54/27/778245427.db2.gz FZUSCNKCXYJYCY-UHFFFAOYSA-N 0 1 255.277 2.528 20 30 CFEDMN C=C(C)CCC(=O)N(C)C[C@H]1CCN1CCOCCCC ZINC001234583834 778257409 /nfs/dbraw/zinc/25/74/09/778257409.db2.gz PBHBXEUMLXNEHL-MRXNPFEDSA-N 0 1 296.455 2.692 20 30 CFEDMN N#CC[C@H](Oc1nc(F)nc2nc[nH]c21)c1ccccc1 ZINC001234688576 778287280 /nfs/dbraw/zinc/28/72/80/778287280.db2.gz BOVGDDFFSHGLHT-JTQLQIEISA-N 0 1 283.266 2.526 20 30 CFEDMN C#CCN1CC[C@H](NC(=O)c2ccc(C3CCC3)cc2)[C@H]1C ZINC001088606246 778320425 /nfs/dbraw/zinc/32/04/25/778320425.db2.gz HLSTUHLBAFHCOK-KDOFPFPSSA-N 0 1 296.414 2.780 20 30 CFEDMN CC/C=C(\C)C(=O)NCCCN(C)CC#Cc1ccccc1 ZINC001234922782 778329299 /nfs/dbraw/zinc/32/92/99/778329299.db2.gz IKIAIBGINBMGPU-LICLKQGHSA-N 0 1 298.430 2.833 20 30 CFEDMN CC#CCN(C)CCN(C)C(=O)C[C@H](CC)C(C)(C)C ZINC001272152189 778364239 /nfs/dbraw/zinc/36/42/39/778364239.db2.gz QTJCZNZIQULPPL-HNNXBMFYSA-N 0 1 280.456 2.862 20 30 CFEDMN CC#CCO[C@H]1CCN(Cc2ccccc2Cl)C1 ZINC001224359394 778484445 /nfs/dbraw/zinc/48/44/45/778484445.db2.gz VNHVSLAFVKOURA-AWEZNQCLSA-N 0 1 263.768 2.954 20 30 CFEDMN C#CCN1CC[C@H](NC(=O)c2cc(C)ccc2C2CC2)[C@H]1C ZINC001088769988 778484638 /nfs/dbraw/zinc/48/46/38/778484638.db2.gz RIDONDQJJXICFC-KDOFPFPSSA-N 0 1 296.414 2.698 20 30 CFEDMN C=CCN1CC[C@H](NC(=O)C(C)(C)C2CCC2)[C@H]1C ZINC001088774167 778486112 /nfs/dbraw/zinc/48/61/12/778486112.db2.gz YZFMLAGRUSHMPT-OCCSQVGLSA-N 0 1 264.413 2.578 20 30 CFEDMN C=CCN1C[C@@H]2CCN(C(=O)c3cccc(C(C)C)n3)[C@@H]2C1 ZINC001075995079 778489629 /nfs/dbraw/zinc/48/96/29/778489629.db2.gz XPRIYNXOXTZYSF-WMLDXEAASA-N 0 1 299.418 2.537 20 30 CFEDMN CC(C)N(C)CC(=O)Nc1c(F)cc(C#N)cc1Cl ZINC001142588582 778513139 /nfs/dbraw/zinc/51/31/39/778513139.db2.gz XFGQXAUFYBMMAS-UHFFFAOYSA-N 0 1 283.734 2.629 20 30 CFEDMN C=CC[N@@H+]1CC[C@H]1CN(C)C(=O)C/C=C\Cc1ccccc1 ZINC001235549647 778517255 /nfs/dbraw/zinc/51/72/55/778517255.db2.gz IFROQSIMODWZHW-ZEVQVBBLSA-N 0 1 298.430 2.894 20 30 CFEDMN C=CCN1CC[C@H]1CN(C)C(=O)C/C=C\Cc1ccccc1 ZINC001235549647 778517257 /nfs/dbraw/zinc/51/72/57/778517257.db2.gz IFROQSIMODWZHW-ZEVQVBBLSA-N 0 1 298.430 2.894 20 30 CFEDMN C=C(C)C(C)(C)C(=O)N1CC[C@]2(C1)CCCN(CCF)C2 ZINC001040330651 778533486 /nfs/dbraw/zinc/53/34/86/778533486.db2.gz CTFWPONHKIXFRP-QGZVFWFLSA-N 0 1 296.430 2.873 20 30 CFEDMN C=CCN1CC[C@H](NC(=O)c2nccc3ccccc32)[C@H]1C ZINC001088825064 778540397 /nfs/dbraw/zinc/54/03/97/778540397.db2.gz MSMDWTFICWXNEA-CJNGLKHVSA-N 0 1 295.386 2.613 20 30 CFEDMN C=CCN1CC[C@H](NC(=O)c2ccc(F)c(C)c2)[C@H]1C ZINC001088827149 778547632 /nfs/dbraw/zinc/54/76/32/778547632.db2.gz YFSIPNDRTRHRHZ-DOMZBBRYSA-N 0 1 276.355 2.513 20 30 CFEDMN CCCCCCC/C=C/CN1CCC(N)(C(=O)OC)CC1 ZINC001235829860 778572002 /nfs/dbraw/zinc/57/20/02/778572002.db2.gz JQZWYAZMQCXSMS-MDZDMXLPSA-N 0 1 296.455 2.869 20 30 CFEDMN C=CC[N@@H+]1C[C@@H]2CCN(C(=O)C[C@@H]3CCCC3(F)F)[C@@H]2C1 ZINC001076174154 778574052 /nfs/dbraw/zinc/57/40/52/778574052.db2.gz AQUCJJYWUXQABM-MELADBBJSA-N 0 1 298.377 2.531 20 30 CFEDMN C=C(C)C[N@H+]1C[C@@H]2CCN(C(=O)c3cc[nH]c3C3CC3)[C@@H]2C1 ZINC001076185018 778574276 /nfs/dbraw/zinc/57/42/76/778574276.db2.gz FCDDDZLBTIDOEQ-GOEBONIOSA-N 0 1 299.418 2.615 20 30 CFEDMN C=CCN1C[C@@H]2CCN(C(=O)c3cc(Cl)cs3)[C@@H]2C1 ZINC001076317582 778583026 /nfs/dbraw/zinc/58/30/26/778583026.db2.gz DVAYABMTXVJYMQ-CMPLNLGQSA-N 0 1 296.823 2.734 20 30 CFEDMN Cc1ccc(NC(=O)C[C@@H](C)NCCC#N)c(C)c1 ZINC000346749644 778586982 /nfs/dbraw/zinc/58/69/82/778586982.db2.gz WANGLOHKHYXEIM-CYBMUJFWSA-N 0 1 259.353 2.524 20 30 CFEDMN C[C@@H](CC(=O)Nc1ccccc1C(F)(F)F)NCCC#N ZINC000346745505 778587872 /nfs/dbraw/zinc/58/78/72/778587872.db2.gz FJUCRKSIQDGLDH-JTQLQIEISA-N 0 1 299.296 2.926 20 30 CFEDMN C#CCN1C[C@@H]2CCN(C(=O)CCC3CCCCC3)[C@@H]2C1 ZINC001076528548 778593957 /nfs/dbraw/zinc/59/39/57/778593957.db2.gz NJJFTWQMCPHMDA-DLBZAZTESA-N 0 1 288.435 2.513 20 30 CFEDMN C=C(C)C[N@@H+]1CC[C@H](NC(=O)C2CCC(F)CC2)[C@H]1C ZINC001088838558 778645731 /nfs/dbraw/zinc/64/57/31/778645731.db2.gz QCKJJBLHEOYCIE-URGYJCLVSA-N 0 1 282.403 2.670 20 30 CFEDMN C=C1CC(C)(C(=O)N[C@H]2CCN(Cc3ccccn3)[C@@H]2C)C1 ZINC001088839956 778705245 /nfs/dbraw/zinc/70/52/45/778705245.db2.gz NFFXEYLVDLDJHH-ZBFHGGJFSA-N 0 1 299.418 2.517 20 30 CFEDMN CCc1nc(C#N)cc(-c2c(F)ccc(C)c2O)n1 ZINC001236402104 778801978 /nfs/dbraw/zinc/80/19/78/778801978.db2.gz GUWKJEYMSUEUEH-UHFFFAOYSA-N 0 1 257.268 2.731 20 30 CFEDMN C=CCCSCCNCc1c(C)nn(C)c1Cl ZINC000696138938 778848328 /nfs/dbraw/zinc/84/83/28/778848328.db2.gz KYNUWQFSTMSJSK-UHFFFAOYSA-N 0 1 273.833 2.781 20 30 CFEDMN CC#CC[N@H+]1CC[C@H](NC(=O)CC2CCCCCC2)[C@H]1C ZINC001088884937 778935636 /nfs/dbraw/zinc/93/56/36/778935636.db2.gz UGJRUNLBFNDUHL-WBVHZDCISA-N 0 1 290.451 2.949 20 30 CFEDMN CC#CCN1CC[C@H](NC(=O)CC2CCCCCC2)[C@H]1C ZINC001088884937 778935640 /nfs/dbraw/zinc/93/56/40/778935640.db2.gz UGJRUNLBFNDUHL-WBVHZDCISA-N 0 1 290.451 2.949 20 30 CFEDMN CC#CC[N@H+]1CC[C@H](NC(=O)c2csc(Cl)c2)[C@H]1C ZINC001088898833 778942006 /nfs/dbraw/zinc/94/20/06/778942006.db2.gz XXQIBVUCQZESCW-PWSUYJOCSA-N 0 1 296.823 2.617 20 30 CFEDMN CC#CCN1CC[C@H](NC(=O)c2csc(Cl)c2)[C@H]1C ZINC001088898833 778942011 /nfs/dbraw/zinc/94/20/11/778942011.db2.gz XXQIBVUCQZESCW-PWSUYJOCSA-N 0 1 296.823 2.617 20 30 CFEDMN C#CCN1CC[C@H](NC(=O)[C@H]2CC[C@H](C(C)C)CC2)[C@H]1C ZINC001088941190 778957338 /nfs/dbraw/zinc/95/73/38/778957338.db2.gz LDLMTNSCNYJFOI-VQHPVUNQSA-N 0 1 290.451 2.661 20 30 CFEDMN C=CCN1CC[C@H](NC(=O)c2cc3sccc3[nH]2)[C@H]1C ZINC001088957226 778960330 /nfs/dbraw/zinc/96/03/30/778960330.db2.gz PQYNEFLVHGGMCF-MNOVXSKESA-N 0 1 289.404 2.608 20 30 CFEDMN C=C(C)CN1CC[C@H](NC(=O)c2cc(C)c(CC)o2)[C@H]1C ZINC001088975903 778964702 /nfs/dbraw/zinc/96/47/02/778964702.db2.gz VNUOFPZQDGSUKV-KGLIPLIRSA-N 0 1 290.407 2.919 20 30 CFEDMN C=CCN1CC[C@H](NC(=O)c2cc(CC(C)C)c[nH]2)[C@H]1C ZINC001088984149 778966847 /nfs/dbraw/zinc/96/68/47/778966847.db2.gz JHMJBDPYJLNTGE-HIFRSBDPSA-N 0 1 289.423 2.592 20 30 CFEDMN C=C(C)CN1CC[C@H](NC(=O)c2sccc2OC)[C@H]1C ZINC001088994947 778970418 /nfs/dbraw/zinc/97/04/18/778970418.db2.gz RGCGIBNVTPEZMN-NEPJUHHUSA-N 0 1 294.420 2.525 20 30 CFEDMN C=CCN1CC[C@H](NC(=O)c2cc(CC)c(C)s2)[C@H]1C ZINC001089028160 778977966 /nfs/dbraw/zinc/97/79/66/778977966.db2.gz GEKRNRZLEUGLNH-RISCZKNCSA-N 0 1 292.448 2.998 20 30 CFEDMN C=CCC[N@@H+]1CC[C@H](NC(=O)c2scnc2Cl)[C@H]1C ZINC001089043624 778981554 /nfs/dbraw/zinc/98/15/54/778981554.db2.gz MWCRPNSJCOIYCU-ZJUUUORDSA-N 0 1 299.827 2.565 20 30 CFEDMN CCCCCCC/C=C/CN1CC[C@H]2C[C@]21C(N)=O ZINC001278038212 778991843 /nfs/dbraw/zinc/99/18/43/778991843.db2.gz WFCVZEOATGHWQB-FNHJVCLDSA-N 0 1 264.413 2.853 20 30 CFEDMN N#C[C@@H]1CN(Cc2ccnc3c(Cl)cccc23)CCC1=O ZINC001237142738 779024205 /nfs/dbraw/zinc/02/42/05/779024205.db2.gz BZOYQUGCDAUGKG-GFCCVEGCSA-N 0 1 299.761 2.803 20 30 CFEDMN C=C(C)CCN1CC(NC(=O)C[C@H]2CC[C@H](C)C2)C1 ZINC001030808409 779032998 /nfs/dbraw/zinc/03/29/98/779032998.db2.gz WQFGMALZRNMADT-KBPBESRZSA-N 0 1 264.413 2.579 20 30 CFEDMN C=C1CCC(C(=O)NC2CN(CC3CC(C)C3)C2)CC1 ZINC001030903795 779089987 /nfs/dbraw/zinc/08/99/87/779089987.db2.gz VZHOTAKHNBQSID-UHFFFAOYSA-N 0 1 276.424 2.579 20 30 CFEDMN CC(=O)Nc1ccccc1CN1CCC[C@@H](C#N)CC1 ZINC001237411645 779101574 /nfs/dbraw/zinc/10/15/74/779101574.db2.gz AQJJUWPPFHNMLB-CQSZACIVSA-N 0 1 271.364 2.771 20 30 CFEDMN Cc1ccccc1O[C@H]1CCN(Cc2ccnc(C#N)c2)C1 ZINC001237462042 779113153 /nfs/dbraw/zinc/11/31/53/779113153.db2.gz DSOFQJHRMGAZJT-KRWDZBQOSA-N 0 1 293.370 2.915 20 30 CFEDMN C=C1O[C@@H](C)C(=O)C1Oc1ccc(Cl)c(C(=O)OC)c1 ZINC001233970212 779113914 /nfs/dbraw/zinc/11/39/14/779113914.db2.gz MNPZLVOLOOQOTC-ZETCQYMHSA-N 0 1 296.706 2.725 20 30 CFEDMN COc1cc(C)cc(C(=O)Nc2cc(C#N)ccc2O)c1O ZINC000176393300 779122399 /nfs/dbraw/zinc/12/23/99/779122399.db2.gz JDEDGPGPQCPJGT-UHFFFAOYSA-N 0 1 298.298 2.539 20 30 CFEDMN C[C@H]1CN(Cc2cc(C#N)c(F)cc2F)CCC[C@]1(C)O ZINC001237524566 779126091 /nfs/dbraw/zinc/12/60/91/779126091.db2.gz KFAIGWYMFLJWMC-ZBEGNZNMSA-N 0 1 294.345 2.819 20 30 CFEDMN CCCCCCCN(CC)Cc1cc(C(=O)OC)n(C)n1 ZINC001237562395 779134760 /nfs/dbraw/zinc/13/47/60/779134760.db2.gz DMMPKPPKDOLJMI-UHFFFAOYSA-N 0 1 295.427 2.999 20 30 CFEDMN C[C@@H]1CCC[C@H](C)N1Cc1cn2cc(C#N)ccc2n1 ZINC001237603061 779139927 /nfs/dbraw/zinc/13/99/27/779139927.db2.gz GLTFDAJSPYIOPD-BETUJISGSA-N 0 1 268.364 2.969 20 30 CFEDMN C[C@H]1CCC[C@H](C)N1Cc1cn2cc(C#N)ccc2n1 ZINC001237603066 779140478 /nfs/dbraw/zinc/14/04/78/779140478.db2.gz GLTFDAJSPYIOPD-STQMWFEESA-N 0 1 268.364 2.969 20 30 CFEDMN C#CCN(C(=O)[C@H](C)CC)C1CCN(C/C=C\Cl)CC1 ZINC001278121719 779142712 /nfs/dbraw/zinc/14/27/12/779142712.db2.gz KWELYJGXWXLGFL-DEBLGDTFSA-N 0 1 296.842 2.711 20 30 CFEDMN CCCC(=O)C(C#N)C(=O)Nc1ccc(F)c(Cl)c1 ZINC000130197424 779146830 /nfs/dbraw/zinc/14/68/30/779146830.db2.gz CIMWPIRADQCJQL-VIFPVBQESA-N 0 1 282.702 2.927 20 30 CFEDMN COc1cc(CN2CCC(C)(C#N)CC2)c(O)c(OC)c1 ZINC001237679697 779160111 /nfs/dbraw/zinc/16/01/11/779160111.db2.gz YDLYPUNRLKKOHX-UHFFFAOYSA-N 0 1 290.363 2.535 20 30 CFEDMN N#Cc1cc(Cl)cc(CN2CCC[C@@](O)(CF)CC2)c1 ZINC001237747122 779173578 /nfs/dbraw/zinc/17/35/78/779173578.db2.gz RLKQNWNMORHBCB-HNNXBMFYSA-N 0 1 296.773 2.898 20 30 CFEDMN CCOC(=O)c1ccccc1CN1CCC(S)CC1 ZINC001237888375 779199980 /nfs/dbraw/zinc/19/99/80/779199980.db2.gz BIJWJFPXQFSTLX-UHFFFAOYSA-N 0 1 279.405 2.758 20 30 CFEDMN C#CC1CCN(Cc2ccccc2C(=O)OCC)CC1 ZINC001237893448 779202247 /nfs/dbraw/zinc/20/22/47/779202247.db2.gz WDXSYYFKSHPHEW-UHFFFAOYSA-N 0 1 271.360 2.709 20 30 CFEDMN Cc1sccc1CN1CCC2SC(=O)C=C2C1 ZINC001237969470 779218851 /nfs/dbraw/zinc/21/88/51/779218851.db2.gz NWASEQAQUFGGON-LBPRGKRZSA-N 0 1 265.403 2.831 20 30 CFEDMN N#C[C@@H]1C[C@H](F)CN1Cc1n[nH]c2cc(Cl)ccc12 ZINC001238005210 779228620 /nfs/dbraw/zinc/22/86/20/779228620.db2.gz QXNZRAXGIPNNFP-UWVGGRQHSA-N 0 1 278.718 2.652 20 30 CFEDMN C[C@]1(O)CCCCN(Cc2ccc(C#N)cc2Cl)C1 ZINC001238079567 779247928 /nfs/dbraw/zinc/24/79/28/779247928.db2.gz DCZNONWUXRUZKH-HNNXBMFYSA-N 0 1 278.783 2.949 20 30 CFEDMN COc1c(C)cnc(CN2[C@@H]3CC[C@H]2C[C@H](C#N)C3)c1C ZINC001238175221 779269982 /nfs/dbraw/zinc/26/99/82/779269982.db2.gz OMYHUWJFHXFWDF-QKDCVEJESA-N 0 1 285.391 2.974 20 30 CFEDMN C[C@@H]1CN(Cc2ccc(Cl)c(C#N)c2)CCC[C@H]1O ZINC001238189782 779274827 /nfs/dbraw/zinc/27/48/27/779274827.db2.gz WMJQZRUZMHJWHI-IAQYHMDHSA-N 0 1 278.783 2.804 20 30 CFEDMN C[C@H]1CCN(Cc2ccc(Cl)c(C#N)c2)CC[C@H]1O ZINC001238189683 779275026 /nfs/dbraw/zinc/27/50/26/779275026.db2.gz VRDHIEDXYJURGP-XHDPSFHLSA-N 0 1 278.783 2.804 20 30 CFEDMN C[C@@H]1CCN(Cc2ccc(Cl)c(C#N)c2)C[C@]1(C)O ZINC001238189687 779275099 /nfs/dbraw/zinc/27/50/99/779275099.db2.gz VYZOXVRISKDXJD-ABAIWWIYSA-N 0 1 278.783 2.804 20 30 CFEDMN N#Cc1cc(CN2CC[C@H]3COC[C@@H]3C2)ccc1Cl ZINC001238198017 779278492 /nfs/dbraw/zinc/27/84/92/779278492.db2.gz FEEQDPODODSNRI-JSGCOSHPSA-N 0 1 276.767 2.680 20 30 CFEDMN CN(Cc1cccnc1)Cc1ccccc1CC#N ZINC001235512059 779360244 /nfs/dbraw/zinc/36/02/44/779360244.db2.gz OXLKELBCFMJBSQ-UHFFFAOYSA-N 0 1 251.333 2.780 20 30 CFEDMN CCc1cccc(C(=O)[C@H](C#N)c2ncc(Cl)n2C)n1 ZINC001123232582 779364148 /nfs/dbraw/zinc/36/41/48/779364148.db2.gz BBATXQXOIILYGF-JTQLQIEISA-N 0 1 288.738 2.521 20 30 CFEDMN CCc1cccc(C(=O)C(C#N)c2ncc(Cl)n2C)n1 ZINC001123232582 779364153 /nfs/dbraw/zinc/36/41/53/779364153.db2.gz BBATXQXOIILYGF-JTQLQIEISA-N 0 1 288.738 2.521 20 30 CFEDMN C=C(C)CN1CC[C@@](C)(NC(=O)c2ccc(C(F)F)o2)C1 ZINC001046805408 779381637 /nfs/dbraw/zinc/38/16/37/779381637.db2.gz JVXOAEWYSVCURB-OAHLLOKOSA-N 0 1 298.333 2.988 20 30 CFEDMN CCc1cc(CN2CCc3c(cc[nH]c3=O)C2)ccc1C#N ZINC001238767343 779385587 /nfs/dbraw/zinc/38/55/87/779385587.db2.gz APANMQYXYGVPCF-UHFFFAOYSA-N 0 1 293.370 2.780 20 30 CFEDMN CN1CCc2c(F)cc(-c3cnc(C#N)c(F)c3)cc2C1 ZINC001238995499 779437404 /nfs/dbraw/zinc/43/74/04/779437404.db2.gz OHNCYCAJHNBMCF-UHFFFAOYSA-N 0 1 285.297 2.886 20 30 CFEDMN CCCCCCCCNC(=O)N1CC[C@H](N)C(F)(F)C1 ZINC001239288769 779501753 /nfs/dbraw/zinc/50/17/53/779501753.db2.gz SJEDLYFMRDCCGB-LBPRGKRZSA-N 0 1 291.386 2.725 20 30 CFEDMN C=C(C)CN1CC(CNC(=O)c2ccc([C@@H]3C[C@H]3C)o2)C1 ZINC001031665259 779521855 /nfs/dbraw/zinc/52/18/55/779521855.db2.gz XIDFCQUCSBSJTK-TZMCWYRMSA-N 0 1 288.391 2.641 20 30 CFEDMN C=CCN1CC(C)(C)CC[C@@H]1CNC(=O)c1cscn1 ZINC001089613624 779544096 /nfs/dbraw/zinc/54/40/96/779544096.db2.gz ZLRQCXDWUXUPSF-GFCCVEGCSA-N 0 1 293.436 2.550 20 30 CFEDMN C#CCN1CC(C)(C)CC[C@H]1CNC(=O)[C@@H]1CCC1(C)C ZINC001089683842 779565660 /nfs/dbraw/zinc/56/56/60/779565660.db2.gz HTYYDYJXXDTWQJ-GJZGRUSLSA-N 0 1 290.451 2.663 20 30 CFEDMN C#CCN1CC(C)(C)CC[C@@H]1CNC(=O)[C@@H]1CCC1(C)C ZINC001089683841 779566325 /nfs/dbraw/zinc/56/63/25/779566325.db2.gz HTYYDYJXXDTWQJ-CABCVRRESA-N 0 1 290.451 2.663 20 30 CFEDMN C=C(C)CN1CC(CNC(=O)[C@@H]2CCC[C@@H]2CCC)C1 ZINC001031795270 779610757 /nfs/dbraw/zinc/61/07/57/779610757.db2.gz QTVUDJRYABHXPQ-JKSUJKDBSA-N 0 1 278.440 2.827 20 30 CFEDMN COc1ccc(-c2cc3[nH]cnc3c(C#N)n2)c(OC)c1 ZINC001239618570 779666780 /nfs/dbraw/zinc/66/67/80/779666780.db2.gz KGMHTEWTRFZPDN-UHFFFAOYSA-N 0 1 280.287 2.514 20 30 CFEDMN N#Cc1nc(-c2ccc(F)cc2F)cc2[nH]cnc21 ZINC001239675538 779702953 /nfs/dbraw/zinc/70/29/53/779702953.db2.gz HURUGIWRELWVEY-UHFFFAOYSA-N 0 1 256.215 2.775 20 30 CFEDMN C=C(C)CN1CC(CNC(=O)[C@H]2C[C@@]2(CC)C(C)C)C1 ZINC001032086382 779731671 /nfs/dbraw/zinc/73/16/71/779731671.db2.gz JFTZTNLGZZUZBF-WBVHZDCISA-N 0 1 278.440 2.683 20 30 CFEDMN C=CCN1CC(CNC(=O)c2cccc3ccccc32)C1 ZINC001032163630 779750612 /nfs/dbraw/zinc/75/06/12/779750612.db2.gz CEUZTQSBWRLHRL-UHFFFAOYSA-N 0 1 280.371 2.687 20 30 CFEDMN C=CCN1CC(CNC(=O)c2ccc(CC)c(CC)c2)C1 ZINC001032234914 779778297 /nfs/dbraw/zinc/77/82/97/779778297.db2.gz OHOHCNHLHLQKQW-UHFFFAOYSA-N 0 1 286.419 2.659 20 30 CFEDMN COc1cc(CN2CCC[C@H](C#N)CC2)ccc1C#N ZINC001238409640 779789654 /nfs/dbraw/zinc/78/96/54/779789654.db2.gz OJXDDIFVBMRQRQ-ZDUSSCGKSA-N 0 1 269.348 2.693 20 30 CFEDMN C=C(C)CN1C[C@@H]2C[C@H]1CN2C(=O)CC1=CCCCC1 ZINC001032316545 779842156 /nfs/dbraw/zinc/84/21/56/779842156.db2.gz XKEPUFDQZJHKJP-HOTGVXAUSA-N 0 1 274.408 2.738 20 30 CFEDMN C=CCCCN1CCO[C@](C)(CNC(=O)CCC(C)C)C1 ZINC001107725071 779889651 /nfs/dbraw/zinc/88/96/51/779889651.db2.gz YONPWLRIKUIYLG-QGZVFWFLSA-N 0 1 296.455 2.596 20 30 CFEDMN C=CCCC[N@H+]1CCO[C@@](C)(CNC(=O)[C@H](C)CCC)C1 ZINC001107823209 779904881 /nfs/dbraw/zinc/90/48/81/779904881.db2.gz LCYWDGHLXKHLKP-WBVHZDCISA-N 0 1 296.455 2.596 20 30 CFEDMN C=CCCCN1CCO[C@@](C)(CNC(=O)[C@H](C)CCC)C1 ZINC001107823209 779904885 /nfs/dbraw/zinc/90/48/85/779904885.db2.gz LCYWDGHLXKHLKP-WBVHZDCISA-N 0 1 296.455 2.596 20 30 CFEDMN CCCCCCCCOC(=O)N1CCN[C@@H](C)C1 ZINC001239329859 779931496 /nfs/dbraw/zinc/93/14/96/779931496.db2.gz IVUHXBSMFNVZTK-ZDUSSCGKSA-N 0 1 256.390 2.777 20 30 CFEDMN C=CCCCN1CCO[C@](C)(CNC(=O)C[C@@H](C)CC)C1 ZINC001107901520 779933393 /nfs/dbraw/zinc/93/33/93/779933393.db2.gz RLQQLLARPXLTNH-DOTOQJQBSA-N 0 1 296.455 2.596 20 30 CFEDMN C=C(C)C[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@@H]1C[C@@H]2CCCC[C@H]12 ZINC001032534837 780017434 /nfs/dbraw/zinc/01/74/34/780017434.db2.gz IWTKUCXOEBOEBR-QUSNUVHPSA-N 0 1 288.435 2.674 20 30 CFEDMN C=C(C)CN1C[C@@H]2C[C@H]1CN2C(=O)[C@@H]1C[C@@H]2CCCC[C@H]12 ZINC001032534837 780017438 /nfs/dbraw/zinc/01/74/38/780017438.db2.gz IWTKUCXOEBOEBR-QUSNUVHPSA-N 0 1 288.435 2.674 20 30 CFEDMN COc1cccc(-c2cc3[nH]cnc3c(C#N)n2)c1 ZINC001239516755 780023215 /nfs/dbraw/zinc/02/32/15/780023215.db2.gz NCQOFPDTUOYDLY-UHFFFAOYSA-N 0 1 250.261 2.505 20 30 CFEDMN C=C(C)CCC(=O)NC[C@@]1(C)CN(CCC(C)C)CCO1 ZINC001107977581 780052556 /nfs/dbraw/zinc/05/25/56/780052556.db2.gz OTTMBCJHMNPCNM-KRWDZBQOSA-N 0 1 296.455 2.596 20 30 CFEDMN C=C1CCC(C(=O)N2C[C@@H]3C[C@H]2CN3CC[C@@H](C)F)CC1 ZINC001032605639 780067851 /nfs/dbraw/zinc/06/78/51/780067851.db2.gz DVRVKDLMBCUTFO-KBMXLJTQSA-N 0 1 294.414 2.766 20 30 CFEDMN C=CCCN1C[C@@H]2C[C@H]1CN2C(=O)C1(F)CCCCC1 ZINC001032717220 780138905 /nfs/dbraw/zinc/13/89/05/780138905.db2.gz WZWLMMCNJUSSEK-KBPBESRZSA-N 0 1 280.387 2.520 20 30 CFEDMN C=CCN1C[C@@]2(CC1=O)CCCCN2Cc1cccnc1C ZINC001272828636 780155705 /nfs/dbraw/zinc/15/57/05/780155705.db2.gz SZGLILODKWCWKW-SFHVURJKSA-N 0 1 299.418 2.533 20 30 CFEDMN C=C(C)CN1C[C@@H]2C[C@H]1CN2C(=O)[C@H]1CC[C@H](C)CC1 ZINC001032741245 780164013 /nfs/dbraw/zinc/16/40/13/780164013.db2.gz DFZWBEICYXUSSU-VGWMRTNUSA-N 0 1 276.424 2.674 20 30 CFEDMN C=CCO[C@@H]1CCN(Cc2cccc([N+](=O)[O-])c2C)C1 ZINC001116556224 780188042 /nfs/dbraw/zinc/18/80/42/780188042.db2.gz LPRMSRAOTCZXNV-CQSZACIVSA-N 0 1 276.336 2.680 20 30 CFEDMN C=CCCN1C[C@@H]2C[C@H]1CN2C(=O)c1cc2ccccc2[nH]1 ZINC001032772491 780207853 /nfs/dbraw/zinc/20/78/53/780207853.db2.gz QVYKJQDTZONBFL-GJZGRUSLSA-N 0 1 295.386 2.643 20 30 CFEDMN C=CCN1CC[C@]2(CCCN2Cc2ccc(F)cc2)C1=O ZINC001272914356 780209347 /nfs/dbraw/zinc/20/93/47/780209347.db2.gz CDBMUHQUGWTTFB-QGZVFWFLSA-N 0 1 288.366 2.579 20 30 CFEDMN C=C(C)CN1C[C@]2(CC1=O)CCCCN2Cc1ccccn1 ZINC001272941481 780335331 /nfs/dbraw/zinc/33/53/31/780335331.db2.gz CIUIWSBKFXTJRN-GOSISDBHSA-N 0 1 299.418 2.615 20 30 CFEDMN C=C(C)CN1C[C@@]2(CC1=O)CCCCN2Cc1ccncc1 ZINC001272949809 780354120 /nfs/dbraw/zinc/35/41/20/780354120.db2.gz NQYRSJDTHVJAEP-SFHVURJKSA-N 0 1 299.418 2.615 20 30 CFEDMN C=CC[C@H](N[C@@H](C)c1ccc(=O)[nH]n1)c1ccncc1 ZINC001117112740 780362961 /nfs/dbraw/zinc/36/29/61/780362961.db2.gz OAAJZFDRXRQLPF-FZMZJTMJSA-N 0 1 270.336 2.545 20 30 CFEDMN CN1CCN(c2ccc(-c3nccc(F)c3C#N)cc2)CC1 ZINC001240849802 780476083 /nfs/dbraw/zinc/47/60/83/780476083.db2.gz PYCBZNQMBAIBMS-UHFFFAOYSA-N 0 1 296.349 2.511 20 30 CFEDMN Cc1c(C#N)ccnc1-c1ccc(N2CCN(C)CC2)cc1 ZINC001240849327 780476318 /nfs/dbraw/zinc/47/63/18/780476318.db2.gz PVWCTQSBBRZIGN-UHFFFAOYSA-N 0 1 292.386 2.681 20 30 CFEDMN C=CCN1CC[C@@H](N(C)C(=O)C2=CCCCCC2)C1 ZINC001033034417 780537148 /nfs/dbraw/zinc/53/71/48/780537148.db2.gz ZJMBKIAVDRNBSK-OAHLLOKOSA-N 0 1 262.397 2.596 20 30 CFEDMN C=CCN1CC[C@H](N(C)C(=O)[C@@H]2C[C@H]2CC(C)(C)C)C1 ZINC001033090821 780558056 /nfs/dbraw/zinc/55/80/56/780558056.db2.gz DZGXFEIIAGRDCD-SOUVJXGZSA-N 0 1 278.440 2.777 20 30 CFEDMN C=CCN1CC[C@H](N(C)C(=O)c2cccc(Cl)c2C)C1 ZINC001033096842 780559076 /nfs/dbraw/zinc/55/90/76/780559076.db2.gz OLPNTWXSSAENIQ-ZDUSSCGKSA-N 0 1 292.810 2.981 20 30 CFEDMN C=CCN1CC[C@H](N(C)C(=O)c2cc(F)ccc2CC)C1 ZINC001033225006 780622416 /nfs/dbraw/zinc/62/24/16/780622416.db2.gz BQQKCJQFLLLMOZ-HNNXBMFYSA-N 0 1 290.382 2.720 20 30 CFEDMN CC#CCN1CC[C@H](N(C)C(=O)C2(C3CCC3)CCC2)C1 ZINC001033312082 780646936 /nfs/dbraw/zinc/64/69/36/780646936.db2.gz KYMAVKPSRGYDEA-INIZCTEOSA-N 0 1 288.435 2.513 20 30 CFEDMN C=CCN1CC[C@H](N(C)C(=O)c2cc3ccsc3[nH]2)C1 ZINC001033315679 780647737 /nfs/dbraw/zinc/64/77/37/780647737.db2.gz OVVZZFSVHYQJNS-LBPRGKRZSA-N 0 1 289.404 2.562 20 30 CFEDMN C=CCN1CC[C@H](N(C)C(=O)[C@@H]2CCCC(F)(F)C2)C1 ZINC001033412853 780676688 /nfs/dbraw/zinc/67/66/88/780676688.db2.gz JKDMQJMYTJLVIY-OLZOCXBDSA-N 0 1 286.366 2.531 20 30 CFEDMN CN(C(=O)C(C)(C)C)[C@@H]1CCN(Cc2ccc(C#N)cc2)C1 ZINC001033602596 780725103 /nfs/dbraw/zinc/72/51/03/780725103.db2.gz CANMFKQCKUSDCJ-MRXNPFEDSA-N 0 1 299.418 2.637 20 30 CFEDMN CN(C(=O)C(C)(C)C)[C@H]1CCN(Cc2ccc(C#N)cc2)C1 ZINC001033602595 780725259 /nfs/dbraw/zinc/72/52/59/780725259.db2.gz CANMFKQCKUSDCJ-INIZCTEOSA-N 0 1 299.418 2.637 20 30 CFEDMN C=CCN1CC[C@H](N(C)C(=O)c2ccc(Cl)cc2)C1 ZINC001033604025 780726863 /nfs/dbraw/zinc/72/68/63/780726863.db2.gz RFIKFJXVAQDCCO-AWEZNQCLSA-N 0 1 278.783 2.672 20 30 CFEDMN C#CCN1CC[C@@H](N(C)C(=O)c2ccc(C(C)(C)C)cc2)C1 ZINC001033608472 780728936 /nfs/dbraw/zinc/72/89/36/780728936.db2.gz GDXAIXXZTDKTKC-QGZVFWFLSA-N 0 1 298.430 2.764 20 30 CFEDMN C=CCN1CC[C@H](N(C)C(=O)c2c(F)cccc2Cl)C1 ZINC001033610473 780730989 /nfs/dbraw/zinc/73/09/89/780730989.db2.gz WZFREUFGBGRKMB-NSHDSACASA-N 0 1 296.773 2.811 20 30 CFEDMN C=CCN1CC[C@H](N(C)C(=O)c2cc(C)ccc2C)C1 ZINC001033620078 780732554 /nfs/dbraw/zinc/73/25/54/780732554.db2.gz FSWPFPNLWXMZRF-HNNXBMFYSA-N 0 1 272.392 2.636 20 30 CFEDMN C#CCCN1CC[C@H](N(C)C(=O)c2ccc(Cl)s2)C1 ZINC001033634968 780737676 /nfs/dbraw/zinc/73/76/76/780737676.db2.gz ATBYOXUWBUODER-NSHDSACASA-N 0 1 296.823 2.571 20 30 CFEDMN CC(=O)c1ccc(-c2cc3[nH]cnc3c(C#N)n2)cc1F ZINC001241255113 780737698 /nfs/dbraw/zinc/73/76/98/780737698.db2.gz PDOQEDZNMCEZIL-UHFFFAOYSA-N 0 1 280.262 2.838 20 30 CFEDMN C#CCCN1CC[C@H](N(C)C(=O)c2cc3ccccc3o2)C1 ZINC001033639790 780740778 /nfs/dbraw/zinc/74/07/78/780740778.db2.gz MACGLAIFVRWXEX-HNNXBMFYSA-N 0 1 296.370 2.602 20 30 CFEDMN C#CCN1CC[C@H](N(C)C(=O)c2ccccc2CC(C)C)C1 ZINC001033697358 780751924 /nfs/dbraw/zinc/75/19/24/780751924.db2.gz CWAXRCKBIGJYDJ-KRWDZBQOSA-N 0 1 298.430 2.665 20 30 CFEDMN CC#CCN1CC[C@@H](N(C)C(=O)C2(C)CCC(C)CC2)C1 ZINC001033697531 780752607 /nfs/dbraw/zinc/75/26/07/780752607.db2.gz HGPCINXMCJKWMI-UPTPFMHGSA-N 0 1 290.451 2.759 20 30 CFEDMN C=C(C)CN1CC[C@H](N(C)C(=O)c2ccc(F)s2)C1 ZINC001033699937 780754327 /nfs/dbraw/zinc/75/43/27/780754327.db2.gz NTMMCEZYEDMYTL-NSHDSACASA-N 0 1 282.384 2.610 20 30 CFEDMN C=CCN1CC[C@@H](N(C)C(=O)C2(C)C(C)(C)C2(C)C)C1 ZINC001033711832 780757547 /nfs/dbraw/zinc/75/75/47/780757547.db2.gz DFFVHKVDZPAALT-CYBMUJFWSA-N 0 1 278.440 2.777 20 30 CFEDMN CCc1nc(C#N)cc(-c2c(F)ccc(O)c2F)n1 ZINC001241290738 780760320 /nfs/dbraw/zinc/76/03/20/780760320.db2.gz FMEHWOZJSPDERQ-UHFFFAOYSA-N 0 1 261.231 2.561 20 30 CFEDMN C=CCN1CC[C@H](N(CC)C(=O)c2ccc(C)s2)C1 ZINC001033734133 780768076 /nfs/dbraw/zinc/76/80/76/780768076.db2.gz NFXCKLDGFRRNPQ-ZDUSSCGKSA-N 0 1 278.421 2.779 20 30 CFEDMN C=CCN1CC[C@@H](N(CC)C(=O)c2cccc(F)c2C)C1 ZINC001033841387 780804230 /nfs/dbraw/zinc/80/42/30/780804230.db2.gz WUCLEIZKOAMHPA-CQSZACIVSA-N 0 1 290.382 2.857 20 30 CFEDMN C=CCN1CC[C@@H](N(CC)C(=O)c2ccc(CC)o2)C1 ZINC001033873561 780816442 /nfs/dbraw/zinc/81/64/42/780816442.db2.gz QJOLUZRGVBIDFD-CYBMUJFWSA-N 0 1 276.380 2.564 20 30 CFEDMN C=CCN1CC[C@@H](N(CC)C(=O)[C@@H]2C[C@H]2CCC)C1 ZINC001033953842 780836732 /nfs/dbraw/zinc/83/67/32/780836732.db2.gz XPLGUHLTOUWBIM-RBSFLKMASA-N 0 1 264.413 2.531 20 30 CFEDMN C=CCN1CC[C@H](N(CC)C(=O)c2ccc3[nH]ccc3c2)C1 ZINC001033941378 780839087 /nfs/dbraw/zinc/83/90/87/780839087.db2.gz FSJCZLMPEXDJOV-INIZCTEOSA-N 0 1 297.402 2.890 20 30 CFEDMN C=CC[N@@H+]1CC[C@@H](N(CC)C(=O)c2occc2CC)C1 ZINC001033940548 780839635 /nfs/dbraw/zinc/83/96/35/780839635.db2.gz HZPPPWSOJCZQQJ-CQSZACIVSA-N 0 1 276.380 2.564 20 30 CFEDMN C=CCN1CC[C@@H](N(CC)C(=O)c2occc2CC)C1 ZINC001033940548 780839643 /nfs/dbraw/zinc/83/96/43/780839643.db2.gz HZPPPWSOJCZQQJ-CQSZACIVSA-N 0 1 276.380 2.564 20 30 CFEDMN C=CC[N@@H+]1CC[C@@H](N(CC)C(=O)C2Cc3ccccc3C2)C1 ZINC001033964703 780847835 /nfs/dbraw/zinc/84/78/35/780847835.db2.gz LHNDGBLRSRHWGB-GOSISDBHSA-N 0 1 298.430 2.510 20 30 CFEDMN C=CCN1CC[C@@H](N(CC)C(=O)C2Cc3ccccc3C2)C1 ZINC001033964703 780847843 /nfs/dbraw/zinc/84/78/43/780847843.db2.gz LHNDGBLRSRHWGB-GOSISDBHSA-N 0 1 298.430 2.510 20 30 CFEDMN C=CCN1CC[C@H](N(CC)C(=O)[C@@H]2C[C@H]2C2CCC2)C1 ZINC001033983960 780848913 /nfs/dbraw/zinc/84/89/13/780848913.db2.gz GUHOCQBLDQMABT-HRCADAONSA-N 0 1 276.424 2.531 20 30 CFEDMN COc1ncc(-c2[nH]ccc3ncc(C#N)c2-3)s1 ZINC001241411642 780856660 /nfs/dbraw/zinc/85/66/60/780856660.db2.gz TZVUNPMMSGJQLU-UHFFFAOYSA-N 0 1 256.290 2.567 20 30 CFEDMN C=CC[N@@H+]1CC[C@H](N(CC)C(=O)c2cc(F)cc(F)c2)C1 ZINC001034040157 780863337 /nfs/dbraw/zinc/86/33/37/780863337.db2.gz SNTYZECBBSVTAM-HNNXBMFYSA-N 0 1 294.345 2.687 20 30 CFEDMN C=CCN1CC[C@H](N(CC)C(=O)c2cc(F)cc(F)c2)C1 ZINC001034040157 780863347 /nfs/dbraw/zinc/86/33/47/780863347.db2.gz SNTYZECBBSVTAM-HNNXBMFYSA-N 0 1 294.345 2.687 20 30 CFEDMN C=C(C)C(C)(C)C(=O)NC[C@]1(C)CN(CCCC)CCO1 ZINC001108115349 780884662 /nfs/dbraw/zinc/88/46/62/780884662.db2.gz OABDGSDFTOLPFX-QGZVFWFLSA-N 0 1 296.455 2.596 20 30 CFEDMN C#CCOc1ccccc1CN[C@@H](C#C)C(C)(C)C ZINC000702274478 780906154 /nfs/dbraw/zinc/90/61/54/780906154.db2.gz FQKUGYKMZMIDOL-INIZCTEOSA-N 0 1 255.361 2.836 20 30 CFEDMN C#CCN1CCCC[C@@H](NC(=O)[C@@H]2CCCC3(CC3)C2)C1 ZINC001034203275 780919912 /nfs/dbraw/zinc/91/99/12/780919912.db2.gz CVPDVRNGIWKVJE-HZPDHXFCSA-N 0 1 288.435 2.561 20 30 CFEDMN CC#CCN1CCCC[C@@H](NC(=O)[C@]2(C)CC=CCC2)C1 ZINC001034226425 780925924 /nfs/dbraw/zinc/92/59/24/780925924.db2.gz QWFPLLOPJOBHRJ-SJLPKXTDSA-N 0 1 288.435 2.727 20 30 CFEDMN C=CCN1CCCC[C@H](NC(=O)c2conc2C(C)C)C1 ZINC001034241901 780930852 /nfs/dbraw/zinc/93/08/52/780930852.db2.gz SBCKGHKCFQIAGG-ZDUSSCGKSA-N 0 1 291.395 2.568 20 30 CFEDMN C#CCN1CCCC[C@@H](NC(=O)C(C)(C)C2CCCC2)C1 ZINC001034244330 780932521 /nfs/dbraw/zinc/93/25/21/780932521.db2.gz YBTVELWYROIBLG-MRXNPFEDSA-N 0 1 290.451 2.807 20 30 CFEDMN C=CC(C)(C)C(=O)NC[C@]1(C)CN(CCCCC)CCO1 ZINC001108122578 780933551 /nfs/dbraw/zinc/93/35/51/780933551.db2.gz UWHDIJYQQAAWBS-QGZVFWFLSA-N 0 1 296.455 2.596 20 30 CFEDMN C#CCN1CCCC[C@@H](NC(=O)[C@@H]2CCC=CCCC2)C1 ZINC001034266068 780935826 /nfs/dbraw/zinc/93/58/26/780935826.db2.gz NDEVPOQPUCIERU-IAGOWNOFSA-N 0 1 288.435 2.727 20 30 CFEDMN CC#CCN1CCCC[C@@H](NC(=O)[C@@H]2CCCC23CC3)C1 ZINC001034273996 780936936 /nfs/dbraw/zinc/93/69/36/780936936.db2.gz SQVQJZVJUSLJLH-CVEARBPZSA-N 0 1 288.435 2.561 20 30 CFEDMN C=C(C)C[N@H+]1CCCC[C@H](NC(=O)C2(F)CCCC2)C1 ZINC001034279826 780938338 /nfs/dbraw/zinc/93/83/38/780938338.db2.gz PUTUSWCFCKNWPQ-AWEZNQCLSA-N 0 1 282.403 2.816 20 30 CFEDMN C#CCN1CCCC[C@H](NC(=O)C2(C3CCC3)CCC2)C1 ZINC001034335659 780946935 /nfs/dbraw/zinc/94/69/35/780946935.db2.gz XAPKJMKYIQRGRQ-INIZCTEOSA-N 0 1 288.435 2.561 20 30 CFEDMN C=CCN1CCCC[C@@H](NC(=O)c2ccoc2C2CC2)C1 ZINC001034367389 780955740 /nfs/dbraw/zinc/95/57/40/780955740.db2.gz MRLOIXHRQRLBPL-CQSZACIVSA-N 0 1 288.391 2.927 20 30 CFEDMN C=CCN1CCCC[C@H](NC(=O)c2occc2CC)C1 ZINC001034386845 780962632 /nfs/dbraw/zinc/96/26/32/780962632.db2.gz GNTAHVSCMDKPHD-AWEZNQCLSA-N 0 1 276.380 2.612 20 30 CFEDMN C=CCN1CCCC[C@H](NC(=O)c2cc(C)ccc2F)C1 ZINC001034414097 780971192 /nfs/dbraw/zinc/97/11/92/780971192.db2.gz USLWNQOPJOBGSY-AWEZNQCLSA-N 0 1 290.382 2.904 20 30 CFEDMN C=CCN1CCCC[C@H](NC(=O)c2cc(C)c(CC)o2)C1 ZINC001034493944 780982668 /nfs/dbraw/zinc/98/26/68/780982668.db2.gz WWSBKKZOGPTNTJ-AWEZNQCLSA-N 0 1 290.407 2.921 20 30 CFEDMN COc1cc(CCC#N)c(C2=CCCN(C)C2)cc1OC ZINC001241569962 780986819 /nfs/dbraw/zinc/98/68/19/780986819.db2.gz BOQFMDWWDKGIAT-UHFFFAOYSA-N 0 1 286.375 2.879 20 30 CFEDMN C#CCN1CCCC[C@H](NC(=O)C23CCC(CC2)CC3)C1 ZINC001034531358 780992662 /nfs/dbraw/zinc/99/26/62/780992662.db2.gz GNUCXBDIVGXLII-PQUAAJSLSA-N 0 1 288.435 2.561 20 30 CFEDMN C=CCN1CCCC[C@H](NC(=O)c2c(C)cccc2F)C1 ZINC001034550911 780994254 /nfs/dbraw/zinc/99/42/54/780994254.db2.gz CBOUXXPDAAINEI-AWEZNQCLSA-N 0 1 290.382 2.904 20 30 CFEDMN Cn1cc2ccc(-c3nccc4[nH]cc(C#N)c43)cc2n1 ZINC001241599804 781007591 /nfs/dbraw/zinc/00/75/91/781007591.db2.gz SSSJLRPFZSSEDY-UHFFFAOYSA-N 0 1 273.299 2.988 20 30 CFEDMN Cc1n[nH]c2cc(-c3cc4[nH]cnc4c(C#N)n3)ccc12 ZINC001241637369 781035783 /nfs/dbraw/zinc/03/57/83/781035783.db2.gz ZJSDZYWSIPTVOJ-UHFFFAOYSA-N 0 1 274.287 2.681 20 30 CFEDMN C#CCN1CC2(C1)CCN(C(=O)CC1CCCCC1)CC2 ZINC001035648077 781151068 /nfs/dbraw/zinc/15/10/68/781151068.db2.gz GGMRHTFCBJHCCI-UHFFFAOYSA-N 0 1 288.435 2.514 20 30 CFEDMN C=CCN1CC2(C1)CCN(C(=O)C[C@@H]1CCC[C@@H]1C)CC2 ZINC001035714176 781160707 /nfs/dbraw/zinc/16/07/07/781160707.db2.gz FHJHOJDJSHTBBG-HOTGVXAUSA-N 0 1 290.451 2.923 20 30 CFEDMN C=CCN1CC2(C1)CCN(C(=O)C[C@@H]1C=CCCC1)CC2 ZINC001035730769 781161629 /nfs/dbraw/zinc/16/16/29/781161629.db2.gz VGQRTERDOKBGHD-MRXNPFEDSA-N 0 1 288.435 2.843 20 30 CFEDMN C=CCN1CC2(C1)CCN(C(=O)[C@@H](C)C1CCC1)CC2 ZINC001035729687 781161907 /nfs/dbraw/zinc/16/19/07/781161907.db2.gz HQKYOISIXJNMRO-AWEZNQCLSA-N 0 1 276.424 2.533 20 30 CFEDMN C=CCN1CC2(C1)CCN(C(=O)CC1CC(F)(F)C1)CC2 ZINC001035734910 781162957 /nfs/dbraw/zinc/16/29/57/781162957.db2.gz MPQXLJVXQYCHHW-UHFFFAOYSA-N 0 1 298.377 2.532 20 30 CFEDMN C=CCN1CC2(C1)CCN(C(=O)[C@@H]1C[C@@]1(C)CC)CC2 ZINC001035826884 781172075 /nfs/dbraw/zinc/17/20/75/781172075.db2.gz JUPQCSUSBMCGLS-GOEBONIOSA-N 0 1 276.424 2.533 20 30 CFEDMN C=CCN1CC2(C1)CCN(C(=O)C(C1CC1)C1CC1)CC2 ZINC001035833596 781175184 /nfs/dbraw/zinc/17/51/84/781175184.db2.gz PXSGBKWZKNUBJO-UHFFFAOYSA-N 0 1 288.435 2.533 20 30 CFEDMN C=CCN1CC2(C1)CCN(C(=O)C[C@H](C)C1CC1)CC2 ZINC001035857686 781179860 /nfs/dbraw/zinc/17/98/60/781179860.db2.gz QRKAWJBLGMANCK-AWEZNQCLSA-N 0 1 276.424 2.533 20 30 CFEDMN COc1cc(-c2cc3[nH]cnc3c(C#N)n2)c(F)cc1F ZINC001242044930 781246481 /nfs/dbraw/zinc/24/64/81/781246481.db2.gz ZKQLOSRSRSRTKR-UHFFFAOYSA-N 0 1 286.241 2.783 20 30 CFEDMN C=C(Cl)CN1CC[C@@H]2CN(C(=O)c3ccoc3)CC[C@H]21 ZINC001036643138 781342441 /nfs/dbraw/zinc/34/24/41/781342441.db2.gz BNYVDHJXIIROAT-TZMCWYRMSA-N 0 1 294.782 2.569 20 30 CFEDMN CC1(C)CC(=O)C=C(c2cc(N3CCOCC3)ccn2)C1 ZINC001242313424 781391245 /nfs/dbraw/zinc/39/12/45/781391245.db2.gz FIYYHELFWWQRDL-UHFFFAOYSA-N 0 1 286.375 2.691 20 30 CFEDMN C[C@@H](CO)[C@H]1CCCCN1Cc1ccc(F)cc1C#N ZINC000711304988 781407171 /nfs/dbraw/zinc/40/71/71/781407171.db2.gz WXFPNUOUHXXFPV-BLLLJJGKSA-N 0 1 276.355 2.680 20 30 CFEDMN C/C(=N\C#N)N(C)Cc1ccc(-c2cccc(F)c2O)nc1 ZINC001242349830 781420924 /nfs/dbraw/zinc/42/09/24/781420924.db2.gz UYYCGTHEYLWIQE-RGVLZGJSSA-N 0 1 298.321 2.925 20 30 CFEDMN N#Cc1cnc2cc[nH]c(-c3cccc(F)c3O)c1-2 ZINC001242349116 781421828 /nfs/dbraw/zinc/42/18/28/781421828.db2.gz JMGMMDGJLHPNMD-UHFFFAOYSA-N 0 1 253.236 2.946 20 30 CFEDMN C=CCNC(=O)c1ccc(-c2cccc(F)c2O)nc1 ZINC001242350683 781423753 /nfs/dbraw/zinc/42/37/53/781423753.db2.gz RUYCHWBCODUDJG-UHFFFAOYSA-N 0 1 272.279 2.509 20 30 CFEDMN Cc1ccc(C#N)cc1-c1ccc(N2CCN(C)CC2)nc1 ZINC001242541335 781580457 /nfs/dbraw/zinc/58/04/57/781580457.db2.gz GGOQFQQEQBBIQW-UHFFFAOYSA-N 0 1 292.386 2.681 20 30 CFEDMN Cc1ccc(C#N)cc1-c1ccc(N2CCN(C)CC2)cn1 ZINC001242544566 781582768 /nfs/dbraw/zinc/58/27/68/781582768.db2.gz OZODGYWTTNMPKY-UHFFFAOYSA-N 0 1 292.386 2.681 20 30 CFEDMN C[NH+](C)Cc1cccc(-c2ccc([O-])c(C#N)c2)c1 ZINC001242564886 781603658 /nfs/dbraw/zinc/60/36/58/781603658.db2.gz ZNPIHNUGGBHHMH-UHFFFAOYSA-N 0 1 252.317 2.992 20 30 CFEDMN Cc1nc2c[nH]cc(-c3ccc(O)c(C#N)c3)c-2n1 ZINC001242567209 781606360 /nfs/dbraw/zinc/60/63/60/781606360.db2.gz RXEINYVHBNPSFK-UHFFFAOYSA-N 0 1 250.261 2.511 20 30 CFEDMN C[C@@H](O)c1ccc(-c2cc3[nH]cnc3c(C#N)n2)cc1 ZINC001242641222 781663917 /nfs/dbraw/zinc/66/39/17/781663917.db2.gz AAOUAEYSXVYIHJ-SECBINFHSA-N 0 1 264.288 2.550 20 30 CFEDMN C=CCN1C[C@@H](C)[C@H](NC(=O)c2cc(C)c(CC)s2)C1 ZINC001080905822 781684730 /nfs/dbraw/zinc/68/47/30/781684730.db2.gz UVIWHXRFDLJCLP-CHWSQXEVSA-N 0 1 292.448 2.855 20 30 CFEDMN C=C[C@H](C)[C@@H](C)C(=O)NCCCNC/C(Cl)=C/Cl ZINC001164222967 781695884 /nfs/dbraw/zinc/69/58/84/781695884.db2.gz OYVLKAZALMBPRJ-JNBVNVQXSA-N 0 1 293.238 2.860 20 30 CFEDMN C#CCN1CC(C)(C)CC[C@H]1CNC(=O)CC1CCCC1 ZINC001098872883 781724043 /nfs/dbraw/zinc/72/40/43/781724043.db2.gz HILVYSXFCNIFNM-INIZCTEOSA-N 0 1 290.451 2.807 20 30 CFEDMN C=C(Cl)CN[C@@H]1CN(C(=O)C[C@H]2C=CCC2)C[C@H]1C ZINC001082418854 781727237 /nfs/dbraw/zinc/72/72/37/781727237.db2.gz ZICRLYIZEZAGES-KWCYVHTRSA-N 0 1 282.815 2.532 20 30 CFEDMN C=C(Cl)CN[C@@H]1CN(C(=O)[C@]2(C)CC=CCC2)C[C@H]1C ZINC001082530337 781732131 /nfs/dbraw/zinc/73/21/31/781732131.db2.gz SAOHUUOYFCFPSU-XNRPHZJLSA-N 0 1 296.842 2.922 20 30 CFEDMN C=C(Cl)CN[C@@H]1CN(C(=O)[C@@H]2CC23CCCC3)C[C@H]1C ZINC001082842543 781746385 /nfs/dbraw/zinc/74/63/85/781746385.db2.gz NNHNDBZSLRACRC-KWCYVHTRSA-N 0 1 296.842 2.756 20 30 CFEDMN Cc1cc(-c2cc3[nH]nnc3cc2F)ccc1C#N ZINC001242768774 781752293 /nfs/dbraw/zinc/75/22/93/781752293.db2.gz XZPXAMPNFOFKMZ-UHFFFAOYSA-N 0 1 252.252 2.944 20 30 CFEDMN C=C(C)CN1CC[C@@H]2CN(C(=O)[C@@]3(C)CC=CCC3)[C@@H]2C1 ZINC001084368532 781790342 /nfs/dbraw/zinc/79/03/42/781790342.db2.gz FYPOCHMFNIWIBP-NUJGCVRESA-N 0 1 288.435 2.842 20 30 CFEDMN C=CCN1CC[C@@H]2CN(C(=O)[C@H]3CCC=CCCC3)[C@@H]2C1 ZINC001084445960 781796646 /nfs/dbraw/zinc/79/66/46/781796646.db2.gz NOSCKIVNJSBRHM-GVDBMIGSSA-N 0 1 288.435 2.842 20 30 CFEDMN C=CCN1CC[C@@H]2CN(C(=O)c3cscc3Cl)[C@@H]2C1 ZINC001084431563 781797291 /nfs/dbraw/zinc/79/72/91/781797291.db2.gz GAVWZKVLYFCOFK-ZWNOBZJWSA-N 0 1 296.823 2.734 20 30 CFEDMN C=CCN1CC[C@@H]2CN(C(=O)[C@H]3CCC(C)(C)C3)[C@@H]2C1 ZINC001084639600 781814046 /nfs/dbraw/zinc/81/40/46/781814046.db2.gz YSYSUPFKSYHTNK-RRFJBIMHSA-N 0 1 276.424 2.531 20 30 CFEDMN C=CCN1CC[C@@H]2CN(C(=O)C3(CC)CCCC3)[C@@H]2C1 ZINC001084749130 781828323 /nfs/dbraw/zinc/82/83/23/781828323.db2.gz AKVSZJSKWCLAEY-HUUCEWRRSA-N 0 1 276.424 2.676 20 30 CFEDMN C=CC(C)(C)C(=O)N1CC[C@H]2CCN(C[C@@H](F)CC)[C@H]2C1 ZINC001085006348 781878461 /nfs/dbraw/zinc/87/84/61/781878461.db2.gz PETLDVAGHGYDTJ-ILXRZTDVSA-N 0 1 296.430 2.870 20 30 CFEDMN Cc1cc(CNCc2ccc(C(C)(C)C#N)cc2)n(C)n1 ZINC000594506042 349433667 /nfs/dbraw/zinc/43/36/67/349433667.db2.gz KHTYBWSDLBTRIQ-UHFFFAOYSA-N 0 1 282.391 2.820 20 30 CFEDMN CCn1cc(CNC2(c3ccc(C#N)cc3)CCC2)cn1 ZINC000594521171 349440963 /nfs/dbraw/zinc/44/09/63/349440963.db2.gz SCVJCODJDQLHFM-UHFFFAOYSA-N 0 1 280.375 2.944 20 30 CFEDMN N#CCCCCc1nc(-c2ccn3cncc3c2)no1 ZINC000594536256 349442605 /nfs/dbraw/zinc/44/26/05/349442605.db2.gz AVNUVDQKOJRBON-UHFFFAOYSA-N 0 1 267.292 2.621 20 30 CFEDMN CN(Cc1cn(-c2ccc(C#N)cc2)nn1)C1CCCCC1 ZINC000594651280 349468470 /nfs/dbraw/zinc/46/84/70/349468470.db2.gz HGALMSHOPQDTSG-UHFFFAOYSA-N 0 1 295.390 2.903 20 30 CFEDMN C=CCCn1cc(CNC[C@H](SC)C(C)(C)C)nn1 ZINC000594943739 349522540 /nfs/dbraw/zinc/52/25/40/349522540.db2.gz PEHZESKQZCEKTI-ZDUSSCGKSA-N 0 1 282.457 2.722 20 30 CFEDMN N#Cc1cccc(C2(NCc3ccnn3CC3CC3)CC2)c1 ZINC000594960674 349530024 /nfs/dbraw/zinc/53/00/24/349530024.db2.gz VEEQIXHCPYFSHX-UHFFFAOYSA-N 0 1 292.386 2.944 20 30 CFEDMN CCN1CCN([C@H](C#N)c2ccc(Cl)cc2)C[C@@H]1C ZINC000595387158 349613197 /nfs/dbraw/zinc/61/31/97/349613197.db2.gz ADBIRWOTQPBKSM-SWLSCSKDSA-N 0 1 277.799 2.931 20 30 CFEDMN N#C[C@@H](c1ccc(Cl)cc1)N1CCc2cn[nH]c2C1 ZINC000595393842 349615427 /nfs/dbraw/zinc/61/54/27/349615427.db2.gz BWNXKTYKGTUBOG-AWEZNQCLSA-N 0 1 272.739 2.686 20 30 CFEDMN CC(C)[C@@H](C#N)N1CCN(CCCC2CCC2)CC1 ZINC000595397475 349616053 /nfs/dbraw/zinc/61/60/53/349616053.db2.gz JEFUVENERFGQLK-MRXNPFEDSA-N 0 1 263.429 2.732 20 30 CFEDMN CC[C@]1(C)CCN(CC(=O)N(C)C2(C#N)CCCCC2)C1 ZINC000344275401 529400343 /nfs/dbraw/zinc/40/03/43/529400343.db2.gz SAGVMFLHMAWTJG-MRXNPFEDSA-N 0 1 291.439 2.793 20 30 CFEDMN N#Cc1ccc(CN2CCCC[C@@H]2C(=O)N2CCCC2)cc1 ZINC000068959940 346877527 /nfs/dbraw/zinc/87/75/27/346877527.db2.gz ISWLXYAJDVWYJL-QGZVFWFLSA-N 0 1 297.402 2.535 20 30 CFEDMN CN(C[C@@H]1CCCN(C(=O)C(C)(C)C)C1)CC(C)(C)C#N ZINC000595500518 349643396 /nfs/dbraw/zinc/64/33/96/349643396.db2.gz JYPNECHNKKZMQU-AWEZNQCLSA-N 0 1 293.455 2.753 20 30 CFEDMN COC(=O)C1(N(CCCC(C)(C)C#N)C2CC2)CCC1 ZINC000595537846 349653827 /nfs/dbraw/zinc/65/38/27/349653827.db2.gz GGCNHPFPYVGSOQ-UHFFFAOYSA-N 0 1 278.396 2.876 20 30 CFEDMN CC(C)N(C(=O)[C@@H](C)N1CCC[C@H](CC#N)C1)C(C)C ZINC000595610980 349675033 /nfs/dbraw/zinc/67/50/33/349675033.db2.gz FHYQRLFAMCHBTQ-HUUCEWRRSA-N 0 1 279.428 2.646 20 30 CFEDMN CN(C)C(=O)c1cccc(CN2CCC[C@H](CC#N)C2)c1 ZINC000595611926 349676023 /nfs/dbraw/zinc/67/60/23/349676023.db2.gz PIQYQVMCZYIKFS-CQSZACIVSA-N 0 1 285.391 2.514 20 30 CFEDMN CC[C@@H]1CCCCN1C(=O)[C@@H](C)N1CCC[C@@H](CC#N)C1 ZINC000595609012 349673415 /nfs/dbraw/zinc/67/34/15/349673415.db2.gz DUSVKCDFLZTTQC-OWCLPIDISA-N 0 1 291.439 2.792 20 30 CFEDMN COc1ccncc1CNC(C)(C)c1cccc(C#N)c1 ZINC000595632025 349684214 /nfs/dbraw/zinc/68/42/14/349684214.db2.gz BKWTZABSPNMGJB-UHFFFAOYSA-N 0 1 281.359 2.987 20 30 CFEDMN N#Cc1sccc1N1CCN(CC2CCC2)CC1 ZINC000595636776 349684836 /nfs/dbraw/zinc/68/48/36/349684836.db2.gz JHGTZNZZEJPRRT-UHFFFAOYSA-N 0 1 261.394 2.542 20 30 CFEDMN C[C@@H]1CCC[N@@H+](Cc2cn3ccccc3c2C#N)[C@H]1CCO ZINC000595698602 349707665 /nfs/dbraw/zinc/70/76/65/349707665.db2.gz NGQFPSUDWCTPIR-PBHICJAKSA-N 0 1 297.402 2.794 20 30 CFEDMN N#Cc1cccc(CN2CCOC(C3CC3)(C3CC3)C2)c1 ZINC000595822052 349742586 /nfs/dbraw/zinc/74/25/86/349742586.db2.gz LPJVLAVCZXGXAH-UHFFFAOYSA-N 0 1 282.387 2.949 20 30 CFEDMN N#Cc1ccc(CN2CC[C@@H]3COC[C@@H]3C2)c(Cl)c1 ZINC000595826856 349743196 /nfs/dbraw/zinc/74/31/96/349743196.db2.gz KFYZHURZDKBOQE-KGLIPLIRSA-N 0 1 276.767 2.680 20 30 CFEDMN N#Cc1ccc(CC[N@@H+]2CCCC[C@H]2CCC(=O)[O-])cc1 ZINC000595878171 349759455 /nfs/dbraw/zinc/75/94/55/349759455.db2.gz LQFXVOLHCISRGB-INIZCTEOSA-N 0 1 286.375 2.820 20 30 CFEDMN N#Cc1ccc(CN2CCC3(COC3)C2)c(C(F)(F)F)c1 ZINC000595833462 349747359 /nfs/dbraw/zinc/74/73/59/349747359.db2.gz JYWYFRXVZSEWNZ-UHFFFAOYSA-N 0 1 296.292 2.799 20 30 CFEDMN COc1ccccc1CCCN1CC[C@@](C)(C#N)C1 ZINC000595844367 349753869 /nfs/dbraw/zinc/75/38/69/349753869.db2.gz SDACOKQKAYRPEJ-INIZCTEOSA-N 0 1 258.365 2.863 20 30 CFEDMN CCc1nc(CNc2ccc(C(F)(F)F)cc2C#N)n[nH]1 ZINC000294993575 199289557 /nfs/dbraw/zinc/28/95/57/199289557.db2.gz QYLJQIJRAJITDM-UHFFFAOYSA-N 0 1 295.268 2.870 20 30 CFEDMN N#Cc1c(Cl)cccc1NCc1n[nH]c(C2CC2)n1 ZINC000295018064 199301901 /nfs/dbraw/zinc/30/19/01/199301901.db2.gz UELDXLQEPUACIP-UHFFFAOYSA-N 0 1 273.727 2.819 20 30 CFEDMN CCN1C[C@H](C)N(c2nc(C#N)c(Cl)s2)C[C@@H]1C ZINC000596177510 349818485 /nfs/dbraw/zinc/81/84/85/349818485.db2.gz MLXZYYRMTNSYJS-IUCAKERBSA-N 0 1 284.816 2.587 20 30 CFEDMN CN(CC#Cc1ccc(Cl)cc1)[C@H]1CCCOC1 ZINC000352186800 529823265 /nfs/dbraw/zinc/82/32/65/529823265.db2.gz NZPRKWYQBBAUQD-HNNXBMFYSA-N 0 1 263.768 2.802 20 30 CFEDMN COC[C@@H](CC(C)(C)C)Nc1nc(C#N)c(Cl)s1 ZINC000596296362 349855500 /nfs/dbraw/zinc/85/55/00/349855500.db2.gz IFLJCGRONCXQOV-MRVPVSSYSA-N 0 1 287.816 2.953 20 30 CFEDMN Cc1cc(C(C#N)C(=O)[C@@H]2CCCC23CC3)nc(C)n1 ZINC000528918176 383677449 /nfs/dbraw/zinc/67/74/49/383677449.db2.gz OEVXFCYZRSCBOG-STQMWFEESA-N 0 1 269.348 2.850 20 30 CFEDMN N#Cc1ccc(CNCCOC2CCCCCC2)o1 ZINC000174408058 232294426 /nfs/dbraw/zinc/29/44/26/232294426.db2.gz JWWBFDZHNHXDPL-UHFFFAOYSA-N 0 1 262.353 2.980 20 30 CFEDMN C=C(C)[C@H](CO)N(C)Cc1csc(Br)c1 ZINC000677047965 539531815 /nfs/dbraw/zinc/53/18/15/539531815.db2.gz LXXYOOSAWYBIBS-JTQLQIEISA-N 0 1 290.226 2.879 20 30 CFEDMN C[C@](C#N)(NC(=O)CN1CCC[C@@H]1c1ccccc1)C1CC1 ZINC000010090037 346226772 /nfs/dbraw/zinc/22/67/72/346226772.db2.gz ACYFMACRBOZWBU-SJLPKXTDSA-N 0 1 297.402 2.632 20 30 CFEDMN C=C(C)CN1CCC(n2c3ccccc3[nH]c2=O)CC1 ZINC000040468540 346346915 /nfs/dbraw/zinc/34/69/15/346346915.db2.gz BYNJPLZFRREYCZ-UHFFFAOYSA-N 0 1 271.364 2.543 20 30 CFEDMN Cc1cc(C[N@@H+](CC(=O)[O-])CC(C)(C)C)ccc1C#N ZINC000596657169 349970272 /nfs/dbraw/zinc/97/02/72/349970272.db2.gz RPNYJORDOGTNFN-UHFFFAOYSA-N 0 1 274.364 2.799 20 30 CFEDMN C=C(C)CN(CC)CC(=O)N1[C@@H](C)CCC[C@@H]1C ZINC000052890449 346531874 /nfs/dbraw/zinc/53/18/74/346531874.db2.gz PLDBXPLGHJDEIN-KBPBESRZSA-N 0 1 252.402 2.674 20 30 CFEDMN CCN(CC)C(=O)C1CCN(Cc2ccccc2C#N)CC1 ZINC000058524517 346645712 /nfs/dbraw/zinc/64/57/12/346645712.db2.gz CCTXHDMIQIYRHZ-UHFFFAOYSA-N 0 1 299.418 2.639 20 30 CFEDMN CCCCNC(=O)CN(Cc1ccc(C#N)cc1)C(C)C ZINC000060208204 346661131 /nfs/dbraw/zinc/66/11/31/346661131.db2.gz XDKNYTHZFPKAAZ-UHFFFAOYSA-N 0 1 287.407 2.685 20 30 CFEDMN C=C(C)CN(CC)CC(=O)N[C@H](C)c1ccccc1 ZINC000057847903 346638589 /nfs/dbraw/zinc/63/85/89/346638589.db2.gz BXONSCADIYWCSQ-CQSZACIVSA-N 0 1 260.381 2.762 20 30 CFEDMN C=CCOc1cccc(NC(=O)c2cn[nH]c2CC)c1 ZINC000065878501 346743427 /nfs/dbraw/zinc/74/34/27/346743427.db2.gz CIDPBMACSOQSFW-UHFFFAOYSA-N 0 1 271.320 2.789 20 30 CFEDMN CCC(N)=NOCc1noc(-c2ccc(Cl)cc2)n1 ZINC000067098553 346791418 /nfs/dbraw/zinc/79/14/18/346791418.db2.gz YBATXZQELZQMNE-UHFFFAOYSA-N 0 1 280.715 2.589 20 30 CFEDMN C[C@@H](C#N)CN(C)C[C@@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC000067378122 346800648 /nfs/dbraw/zinc/80/06/48/346800648.db2.gz DGVQUQLILPWTPG-KBPBESRZSA-N 0 1 295.427 2.725 20 30 CFEDMN COCC#CCN(C)Cc1ccc(Br)cc1 ZINC000677132689 539552433 /nfs/dbraw/zinc/55/24/33/539552433.db2.gz MYCLEIKLXMTBKP-UHFFFAOYSA-N 0 1 282.181 2.531 20 30 CFEDMN CCN(CC)[C@@H](C)C(=O)Nc1sc2c(c1C#N)CCC2 ZINC000076673440 347146700 /nfs/dbraw/zinc/14/67/00/347146700.db2.gz NUSOGNMLDBSNLO-JTQLQIEISA-N 0 1 291.420 2.777 20 30 CFEDMN COCC#CCN(Cc1ccc(Cl)cc1)C1CC1 ZINC000677133207 539555062 /nfs/dbraw/zinc/55/50/62/539555062.db2.gz MVYQWLCHLVCUGE-UHFFFAOYSA-N 0 1 263.768 2.954 20 30 CFEDMN C=C(Cl)CNC(=O)NC[C@H](c1ccco1)N(CC)CC ZINC000077574609 347201238 /nfs/dbraw/zinc/20/12/38/347201238.db2.gz BYSZOCDRCMDWGK-GFCCVEGCSA-N 0 1 299.802 2.714 20 30 CFEDMN C[C@@H](O)[C@H]1CCCN(CC#Cc2ccc(Cl)cc2)C1 ZINC000089928340 347531619 /nfs/dbraw/zinc/53/16/19/347531619.db2.gz HZEPJYHDUYRZLD-HIFRSBDPSA-N 0 1 277.795 2.784 20 30 CFEDMN C=CCN(CC=C)C(=O)[C@H](C)N[C@H](C)c1ccc(C#N)cc1 ZINC000127597621 347842873 /nfs/dbraw/zinc/84/28/73/347842873.db2.gz FAZCJUHGMRKXEZ-CABCVRRESA-N 0 1 297.402 2.798 20 30 CFEDMN N#Cc1ccc(CN[C@H]2CCN(C3CCCCC3)C2=O)cc1 ZINC000131579165 347879608 /nfs/dbraw/zinc/87/96/08/347879608.db2.gz MRWQGXNSVDQZOF-KRWDZBQOSA-N 0 1 297.402 2.581 20 30 CFEDMN CN(Cc1cccc(C#N)c1)[C@@H]1CCCc2c1cnn2C ZINC000135589057 347907082 /nfs/dbraw/zinc/90/70/82/347907082.db2.gz ZQYRCDABSUGIEN-MRXNPFEDSA-N 0 1 280.375 2.801 20 30 CFEDMN C=CCNC(=O)N1CCC[C@@H]1c1nc2ccc(C)cc2[nH]1 ZINC000139962240 347923175 /nfs/dbraw/zinc/92/31/75/347923175.db2.gz XEAAKPOTKDNVES-CQSZACIVSA-N 0 1 284.363 2.904 20 30 CFEDMN CCO[C@@H]1CCCN(Cc2ccc(C#N)s2)C1 ZINC000155480282 347987169 /nfs/dbraw/zinc/98/71/69/347987169.db2.gz PFVQDHZZTYIMQO-LLVKDONJSA-N 0 1 250.367 2.621 20 30 CFEDMN C[C@@](CO)(NCc1ccc(C#N)cc1)c1ccccc1 ZINC000169252235 348050784 /nfs/dbraw/zinc/05/07/84/348050784.db2.gz SPONYJIREGLIDP-KRWDZBQOSA-N 0 1 266.344 2.556 20 30 CFEDMN CC(C)(C)[C@H]1CCN(Cc2ccc(F)c(C#N)c2)C[C@H]1O ZINC000273424464 192145292 /nfs/dbraw/zinc/14/52/92/192145292.db2.gz SKCCJBKRMKADFZ-GOEBONIOSA-N 0 1 290.382 2.926 20 30 CFEDMN CC[C@@H]1CO[C@@H](CC)CN1CCOc1cccc(C#N)c1 ZINC000403874301 348587043 /nfs/dbraw/zinc/58/70/43/348587043.db2.gz MEUTWBSLSFUIID-CVEARBPZSA-N 0 1 288.391 2.826 20 30 CFEDMN CC[C@@H]1CN(CCOc2ccc(C#N)cc2)[C@H](CC)CO1 ZINC000403888302 348588197 /nfs/dbraw/zinc/58/81/97/348588197.db2.gz PZPOJRLXEKDHBK-HZPDHXFCSA-N 0 1 288.391 2.826 20 30 CFEDMN CC[C@@H]1CO[C@@H](CC)CN1CCOc1ccc(C#N)cc1 ZINC000403888298 348588248 /nfs/dbraw/zinc/58/82/48/348588248.db2.gz PZPOJRLXEKDHBK-CVEARBPZSA-N 0 1 288.391 2.826 20 30 CFEDMN Cn1nc(CN2CCC(CC#N)CC2)c2ccccc21 ZINC000397298940 348561465 /nfs/dbraw/zinc/56/14/65/348561465.db2.gz OYBNTUWLUIZXGU-UHFFFAOYSA-N 0 1 268.364 2.699 20 30 CFEDMN CC(C)c1nc([C@@H](C)NC(=O)CCCCCC#N)n[nH]1 ZINC000588662221 348791020 /nfs/dbraw/zinc/79/10/20/348791020.db2.gz UHWSNRIRBCSWJS-LLVKDONJSA-N 0 1 277.372 2.579 20 30 CFEDMN Cc1ccc(-c2cc(=NC(=O)CCCCCC#N)[nH][nH]2)o1 ZINC000588723924 348793874 /nfs/dbraw/zinc/79/38/74/348793874.db2.gz VYTZLTHUDDKGMB-UHFFFAOYSA-N 0 1 286.335 2.813 20 30 CFEDMN C=CCN(CCC#N)C(=O)c1ccc(CN(CC)CC)o1 ZINC000590039582 348870761 /nfs/dbraw/zinc/87/07/61/348870761.db2.gz HHCBVZMDORXNOJ-UHFFFAOYSA-N 0 1 289.379 2.663 20 30 CFEDMN N#CCCOCCN1CCS[C@H](c2ccccc2)C1 ZINC000590161763 348880840 /nfs/dbraw/zinc/88/08/40/348880840.db2.gz SSXNLCHITAWPKK-HNNXBMFYSA-N 0 1 276.405 2.707 20 30 CFEDMN Cc1cc(-c2noc(CC3(C#N)CC3)n2)cc2nc[nH]c21 ZINC000590270047 348888722 /nfs/dbraw/zinc/88/87/22/348888722.db2.gz BGWDHWXXCHGCKT-UHFFFAOYSA-N 0 1 279.303 2.768 20 30 CFEDMN C[C@H](c1ccccc1)[C@H](O)CN1CCC[C@@](C)(C#N)C1 ZINC000590715592 348934915 /nfs/dbraw/zinc/93/49/15/348934915.db2.gz RZZRFUPJAVHBSE-OIISXLGYSA-N 0 1 272.392 2.777 20 30 CFEDMN Cc1ccc2nc(NC(=O)CC3(C#N)CC3)[nH]c2c1 ZINC000590451857 348901596 /nfs/dbraw/zinc/90/15/96/348901596.db2.gz QBHSXAWHWAKUEM-UHFFFAOYSA-N 0 1 254.293 2.504 20 30 CFEDMN C[C@H](NC(=O)c1cc2[nH]cnc2cc1F)[C@H]1CCCO1 ZINC000329309236 539694509 /nfs/dbraw/zinc/69/45/09/539694509.db2.gz PGVSROZOKIVVSH-ISVAXAHUSA-N 0 1 277.299 2.574 20 30 CFEDMN C[C@H](CCC#N)CN(C)Cc1nccn1C(F)F ZINC000590593114 348912473 /nfs/dbraw/zinc/91/24/73/348912473.db2.gz JZJDMVSBZPGMTK-SNVBAGLBSA-N 0 1 256.300 2.650 20 30 CFEDMN N#Cc1ccc(NC(=O)CN2CC[C@H](C3CCC3)C2)cc1 ZINC000591062203 348983135 /nfs/dbraw/zinc/98/31/35/348983135.db2.gz XKMRCBSEAFVFKM-HNNXBMFYSA-N 0 1 283.375 2.619 20 30 CFEDMN COCCN(CCC#N)CC1CCC(F)(F)CC1 ZINC000590952988 348971210 /nfs/dbraw/zinc/97/12/10/348971210.db2.gz OVBPXQDNOIUWLI-UHFFFAOYSA-N 0 1 260.328 2.674 20 30 CFEDMN N#CCC[C@H](C#N)CN[C@H](c1ccccc1)[C@H]1CCOC1 ZINC000591757640 349042141 /nfs/dbraw/zinc/04/21/41/349042141.db2.gz RVNLNWYGNRFLDZ-HYVNUMGLSA-N 0 1 283.375 2.797 20 30 CFEDMN C[C@H]1CC(C)(C)C[C@](CO)(NCc2ccncc2C#N)C1 ZINC000592079648 349080741 /nfs/dbraw/zinc/08/07/41/349080741.db2.gz DKFIVYNQMZXQSB-SUMWQHHRSA-N 0 1 287.407 2.620 20 30 CFEDMN COCCN(Cc1ccncc1C#N)[C@H]1CC[C@@H](C)C1 ZINC000592115262 349085153 /nfs/dbraw/zinc/08/51/53/349085153.db2.gz XGTUDDRZERVGQE-CJNGLKHVSA-N 0 1 273.380 2.590 20 30 CFEDMN N#C[C@H](CCc1ccccc1)c1nc([C@@H]2CCCN2)no1 ZINC000592356359 349107529 /nfs/dbraw/zinc/10/75/29/349107529.db2.gz OTZOHRPIBIASAS-KBPBESRZSA-N 0 1 282.347 2.734 20 30 CFEDMN N#CC[C@@]1(O)CCN(C/C=C\c2ccc(Cl)cc2)C1 ZINC000592153154 349092867 /nfs/dbraw/zinc/09/28/67/349092867.db2.gz JWRMFTSKACQVNA-DJYNDVHFSA-N 0 1 276.767 2.704 20 30 CFEDMN C[C@H](NCC(C)(C)CC#N)c1cc2n(n1)CCCC2 ZINC000592390134 349113370 /nfs/dbraw/zinc/11/33/70/349113370.db2.gz CAHGUYFYSYQPFG-LBPRGKRZSA-N 0 1 260.385 2.810 20 30 CFEDMN C=CCSCCN[C@H](C)c1cc2n(n1)CCCC2 ZINC000592387894 349113685 /nfs/dbraw/zinc/11/36/85/349113685.db2.gz NKBLUYIMMVFONG-GFCCVEGCSA-N 0 1 265.426 2.789 20 30 CFEDMN CC[C@H](N[C@@H](C)C(=O)N(C)CCC#N)c1ccccc1F ZINC000593065128 349200556 /nfs/dbraw/zinc/20/05/56/349200556.db2.gz UHCZKKDCDLTEJT-WFASDCNBSA-N 0 1 291.370 2.627 20 30 CFEDMN CN(CCN1CCCCC1)c1ncc(C#N)cc1Cl ZINC000593516119 349288455 /nfs/dbraw/zinc/28/84/55/349288455.db2.gz MFFRKFGMYMELSS-UHFFFAOYSA-N 0 1 278.787 2.529 20 30 CFEDMN CC1(C#N)CCN(Cc2cc3cnccc3o2)CC1 ZINC000593614629 349298914 /nfs/dbraw/zinc/29/89/14/349298914.db2.gz UAKZXUGCAPKCKN-UHFFFAOYSA-N 0 1 255.321 2.953 20 30 CFEDMN CC[C@@H](C#N)C(=O)Nc1cccc2c1OCC[C@H]2N(C)C ZINC000593665713 349306687 /nfs/dbraw/zinc/30/66/87/349306687.db2.gz FWUWISFDQVELRK-SMDDNHRTSA-N 0 1 287.363 2.560 20 30 CFEDMN Cn1ccnc1[C@H](Cc1ccccc1)N[C@H]1CC[C@@H](C#N)C1 ZINC000593678454 349308698 /nfs/dbraw/zinc/30/86/98/349308698.db2.gz LAEFEWBLUDAQMM-IKGGRYGDSA-N 0 1 294.402 2.986 20 30 CFEDMN CN(C)[C@H](CNC(=O)CCCCC#N)c1cccs1 ZINC000594213223 349395332 /nfs/dbraw/zinc/39/53/32/349395332.db2.gz RLOKOQDVBNNMBM-GFCCVEGCSA-N 0 1 279.409 2.551 20 30 CFEDMN CC(C)N(Cc1ccc(C#N)cc1)C(=O)[C@H](C)N1CC(C)C1 ZINC000594255597 349400835 /nfs/dbraw/zinc/40/08/35/349400835.db2.gz HSIDKDPXXKIOES-HNNXBMFYSA-N 0 1 299.418 2.635 20 30 CFEDMN CC[C@@H](C)c1nc([C@@H](C)NC(=O)CCCCC#N)n[nH]1 ZINC000594345582 349409786 /nfs/dbraw/zinc/40/97/86/349409786.db2.gz WHAHUKQWEAFRBF-GHMZBOCLSA-N 0 1 277.372 2.579 20 30 CFEDMN N#CCCCCC(=O)Nc1ccc(F)c(F)c1O ZINC000594375487 349412813 /nfs/dbraw/zinc/41/28/13/349412813.db2.gz TXQKDXGJLPAUKT-UHFFFAOYSA-N 0 1 254.236 2.693 20 30 CFEDMN CC(C)[C@@H]1CN(C)CCN1C(=O)CC1(C#N)CCCCC1 ZINC000597280390 350078517 /nfs/dbraw/zinc/07/85/17/350078517.db2.gz BUSJYCJMJTWWTH-HNNXBMFYSA-N 0 1 291.439 2.649 20 30 CFEDMN N#CC[C@@H]1CCCN(Cc2ccc(-n3cncn3)c(F)c2)C1 ZINC000597175289 350044344 /nfs/dbraw/zinc/04/43/44/350044344.db2.gz XVFWYNICBMMHBS-ZDUSSCGKSA-N 0 1 299.353 2.532 20 30 CFEDMN COc1ccsc1CN1CCC[C@H](CC#N)C1 ZINC000597175807 350044579 /nfs/dbraw/zinc/04/45/79/350044579.db2.gz FAUBOIHLSJXMKW-LLVKDONJSA-N 0 1 250.367 2.882 20 30 CFEDMN COc1cc(CN2CCC[C@@H](CC#N)C2)cc(OC)c1 ZINC000597173860 350044616 /nfs/dbraw/zinc/04/46/16/350044616.db2.gz LXPZPLFGZQJHNB-ZDUSSCGKSA-N 0 1 274.364 2.829 20 30 CFEDMN Cc1ccc(CN2CC(CC#N)C2)c(-c2ccnn2C)c1 ZINC000597203239 350054063 /nfs/dbraw/zinc/05/40/63/350054063.db2.gz ISLZFKTYTQPOOK-UHFFFAOYSA-N 0 1 280.375 2.741 20 30 CFEDMN N#C[C@]1(C(=O)NCc2ccc3nc[nH]c3c2)CC12CCCC2 ZINC000597723773 350128873 /nfs/dbraw/zinc/12/88/73/350128873.db2.gz ZWFCQWNOLYUJRI-KRWDZBQOSA-N 0 1 294.358 2.653 20 30 CFEDMN COCCCOCCN(C)CC#Cc1cccc(Cl)c1 ZINC000091102687 180097214 /nfs/dbraw/zinc/09/72/14/180097214.db2.gz OZVYVHKSSLQRKF-UHFFFAOYSA-N 0 1 295.810 2.676 20 30 CFEDMN C=CCCSCCNC(=O)c1n[nH]c2ccccc21 ZINC000597973751 350167736 /nfs/dbraw/zinc/16/77/36/350167736.db2.gz LOHYEBQKSCHXFR-UHFFFAOYSA-N 0 1 275.377 2.602 20 30 CFEDMN Cc1nc2c(cccc2C(=O)N2CCC[C@@H](CC#N)C2)[nH]1 ZINC000597903094 350152882 /nfs/dbraw/zinc/15/28/82/350152882.db2.gz GUINWZTZXGNFSP-LBPRGKRZSA-N 0 1 282.347 2.637 20 30 CFEDMN C=CCCSCCNC(=O)c1sccc1CN(C)C ZINC000597968321 350164609 /nfs/dbraw/zinc/16/46/09/350164609.db2.gz SYCXFIFZXWCWBD-UHFFFAOYSA-N 0 1 298.477 2.849 20 30 CFEDMN C=CCC1(NC(=O)c2cc(O)cc([N+](=O)[O-])c2)CCCC1 ZINC000598295870 350228620 /nfs/dbraw/zinc/22/86/20/350228620.db2.gz JGOJVZHYYXBXBX-UHFFFAOYSA-N 0 1 290.319 2.919 20 30 CFEDMN C=CCOCCCC(=O)Nc1ccc2c(C)[nH]nc2c1 ZINC000091837116 180268078 /nfs/dbraw/zinc/26/80/78/180268078.db2.gz HBXICUZBZOTGOA-UHFFFAOYSA-N 0 1 273.336 2.793 20 30 CFEDMN CC(C)(C#N)C[C@@H](O)CNCc1c(F)cccc1Cl ZINC000598713781 350316132 /nfs/dbraw/zinc/31/61/32/350316132.db2.gz CVSBFOSHWUPIGR-SNVBAGLBSA-N 0 1 284.762 2.869 20 30 CFEDMN CC(C)c1csc(CNC[C@H](O)CC(C)(C)C#N)n1 ZINC000598725904 350319244 /nfs/dbraw/zinc/31/92/44/350319244.db2.gz QKLQVUMZJSHZJQ-LLVKDONJSA-N 0 1 281.425 2.657 20 30 CFEDMN COc1cccc(Cl)c1CNC[C@H](O)CC(C)(C)C#N ZINC000598724838 350319307 /nfs/dbraw/zinc/31/93/07/350319307.db2.gz RPJMQXHVCQGNRG-LLVKDONJSA-N 0 1 296.798 2.739 20 30 CFEDMN CC(C)(C#N)C[C@H](O)CN1CC[C@@H]1c1cccc(F)c1 ZINC000598591373 350288130 /nfs/dbraw/zinc/28/81/30/350288130.db2.gz AJQULEBPJAZFBC-LSDHHAIUSA-N 0 1 276.355 2.873 20 30 CFEDMN COc1cccc(F)c1[C@H](C)NC[C@H](O)CC(C)(C)C#N ZINC000598600206 350290943 /nfs/dbraw/zinc/29/09/43/350290943.db2.gz ICZQEBAFDYVSPO-NWDGAFQWSA-N 0 1 294.370 2.786 20 30 CFEDMN CC(C)(C#N)C[C@H](O)CN1CCc2cccc(Cl)c2C1 ZINC000598620303 350294422 /nfs/dbraw/zinc/29/44/22/350294422.db2.gz AUQVUAIBEZXWDG-ZDUSSCGKSA-N 0 1 292.810 2.999 20 30 CFEDMN CC(C)(C#N)C[C@@H](O)CN1CC[C@](F)(c2ccccc2)C1 ZINC000598622147 350295351 /nfs/dbraw/zinc/29/53/51/350295351.db2.gz YHCBSEKLDJFKMR-NVXWUHKLSA-N 0 1 290.382 2.858 20 30 CFEDMN Cc1cc(C#N)cc(NC(=O)[C@H]2C[C@@H](C)Cc3cn[nH]c32)c1 ZINC000598936864 350347772 /nfs/dbraw/zinc/34/77/72/350347772.db2.gz DPVNTZMQZWFTHM-NHYWBVRUSA-N 0 1 294.358 2.894 20 30 CFEDMN CCC(C#N)(CC)C(=O)NC[C@H](c1ccsc1)N(C)C ZINC000599035885 350362594 /nfs/dbraw/zinc/36/25/94/350362594.db2.gz PCVSSFLUWWMXDD-CYBMUJFWSA-N 0 1 293.436 2.797 20 30 CFEDMN Cc1ccc(CN[C@](C)(CO)c2cccc(O)c2)cc1C#N ZINC000599422786 350433938 /nfs/dbraw/zinc/43/39/38/350433938.db2.gz XOOMNAMHABZELL-GOSISDBHSA-N 0 1 296.370 2.570 20 30 CFEDMN Cc1ccc(CN(CCCO)Cc2ccccn2)cc1C#N ZINC000599394606 350430665 /nfs/dbraw/zinc/43/06/65/350430665.db2.gz XYCNTDLFQBJUGB-UHFFFAOYSA-N 0 1 295.386 2.646 20 30 CFEDMN N#Cc1cnc(NC[C@H](c2ccco2)N2CCCCC2)cn1 ZINC000106462326 186118823 /nfs/dbraw/zinc/11/88/23/186118823.db2.gz NROPPENMFIUACS-CQSZACIVSA-N 0 1 297.362 2.580 20 30 CFEDMN C[C@]12CCCC[C@H]1CN2CC(=O)NC1(C#N)CCCCC1 ZINC000599674376 350478665 /nfs/dbraw/zinc/47/86/65/350478665.db2.gz FEDHSJLJPCAMFN-HOCLYGCPSA-N 0 1 289.423 2.594 20 30 CFEDMN COC(=O)C1C[C@H](C)N(CC#Cc2ccccc2)[C@@H](C)C1 ZINC000599695266 350485436 /nfs/dbraw/zinc/48/54/36/350485436.db2.gz KSZAORJWOAYXMB-GJZGRUSLSA-N 0 1 285.387 2.700 20 30 CFEDMN CC(C)(CC#N)CNCc1cnc2ccccc2n1 ZINC000600166146 350526493 /nfs/dbraw/zinc/52/64/93/350526493.db2.gz WRUOAXMJACBGNH-UHFFFAOYSA-N 0 1 254.337 2.659 20 30 CFEDMN CCCN1C(=O)N=NC1SCc1ccc(C)c(C#N)c1 ZINC000600510393 350561135 /nfs/dbraw/zinc/56/11/35/350561135.db2.gz LPRBRJSNUJMJHZ-UHFFFAOYSA-N 0 1 288.376 2.866 20 30 CFEDMN C[C@@H]1C[C@H]1Cn1[nH]c(C(C)(C)C)c(CCC#N)c1=O ZINC000600672564 350594203 /nfs/dbraw/zinc/59/42/03/350594203.db2.gz OSMLXXAOVUYTDZ-MNOVXSKESA-N 0 1 261.369 2.998 20 30 CFEDMN N#Cc1ccc(-c2ccc([C@@H]3COCCN3)cc2)s1 ZINC000600775642 350609139 /nfs/dbraw/zinc/60/91/39/350609139.db2.gz KDIZAFWPTHINPW-AWEZNQCLSA-N 0 1 270.357 2.948 20 30 CFEDMN C[C@@H]1C[C@H](Nc2ncc(C#N)c3ccsc32)C[N@H+]1C1CC1 ZINC000601127870 350675929 /nfs/dbraw/zinc/67/59/29/350675929.db2.gz TUDQWUVCLSLOAP-PWSUYJOCSA-N 0 1 298.415 2.627 20 30 CFEDMN N#Cc1cnc(N[C@@H]2CCCc3cn[nH]c32)c2sccc21 ZINC000601130519 350677731 /nfs/dbraw/zinc/67/77/31/350677731.db2.gz MBFCAWFAAHXCFK-GFCCVEGCSA-N 0 1 295.371 2.802 20 30 CFEDMN C[C@@H](N[C@@H](C)c1ccc(C#N)c(F)c1)[C@@H](O)C(F)(F)F ZINC000601301290 350720232 /nfs/dbraw/zinc/72/02/32/350720232.db2.gz XHTBETAXQZYEJV-JOAULVNJSA-N 0 1 290.260 2.660 20 30 CFEDMN Cc1[nH]n(-c2ccc(C#N)cc2C(F)(F)F)c(=O)c1C ZINC000601948903 350816235 /nfs/dbraw/zinc/81/62/35/350816235.db2.gz NJXJIDDRMYQPFG-SSDOTTSWSA-N 0 1 281.237 2.936 20 30 CFEDMN C[C@@H]1OCC[C@H]1Cn1[nH]c(C(C)(C)C)c(CCC#N)c1=O ZINC000601923079 350803111 /nfs/dbraw/zinc/80/31/11/350803111.db2.gz OJXUWZBJYZGFKZ-RYUDHWBXSA-N 0 1 291.395 2.767 20 30 CFEDMN C[C@H]1OCC[C@H]1Cn1[nH]c(C(C)(C)C)c(CCC#N)c1=O ZINC000601923076 350803138 /nfs/dbraw/zinc/80/31/38/350803138.db2.gz OJXUWZBJYZGFKZ-NEPJUHHUSA-N 0 1 291.395 2.767 20 30 CFEDMN CCc1ccc(-n2[nH]c(C)c(CCC#N)c2=O)cc1 ZINC000601933186 350806196 /nfs/dbraw/zinc/80/61/96/350806196.db2.gz CJDGWEHQSKCMPU-CQSZACIVSA-N 0 1 255.321 2.891 20 30 CFEDMN C[C@@H]1CCC2=NN(c3cccc(C#N)c3)C(=O)[C@@H]2C1 ZINC000601933351 350806977 /nfs/dbraw/zinc/80/69/77/350806977.db2.gz XIWGEWZYBJQNFJ-ZWNOBZJWSA-N 0 1 253.305 2.697 20 30 CFEDMN C[C@@H]1CCc2[nH]n(-c3cccc(C#N)c3)c(=O)c2C1 ZINC000601933351 350806981 /nfs/dbraw/zinc/80/69/81/350806981.db2.gz XIWGEWZYBJQNFJ-ZWNOBZJWSA-N 0 1 253.305 2.697 20 30 CFEDMN Cc1[nH]n(-c2ccc([N+](=O)[O-])cc2C)c(=O)c1CCC#N ZINC000601942187 350811766 /nfs/dbraw/zinc/81/17/66/350811766.db2.gz GZXNEHNYONLGLV-LBPRGKRZSA-N 0 1 286.291 2.546 20 30 CFEDMN COC(=O)C1(CNCc2cccc(F)c2C#N)CCCC1 ZINC000602013365 350831459 /nfs/dbraw/zinc/83/14/59/350831459.db2.gz MQPQVJTXCWBQHY-UHFFFAOYSA-N 0 1 290.338 2.520 20 30 CFEDMN N#Cc1c(F)cccc1CNCCCNc1ccccn1 ZINC000602014486 350831506 /nfs/dbraw/zinc/83/15/06/350831506.db2.gz UOZPGZAFTMUVFP-UHFFFAOYSA-N 0 1 284.338 2.684 20 30 CFEDMN Cc1cccc(CCNCc2cccc(F)c2C#N)n1 ZINC000602015719 350832037 /nfs/dbraw/zinc/83/20/37/350832037.db2.gz IANDEWYIDKRAMQ-UHFFFAOYSA-N 0 1 269.323 2.733 20 30 CFEDMN CC(C)SCCNCc1cccc(F)c1C#N ZINC000602016851 350832279 /nfs/dbraw/zinc/83/22/79/350832279.db2.gz MMJKWQOTKNNSLL-UHFFFAOYSA-N 0 1 252.358 2.929 20 30 CFEDMN C[C@@H]1SCC[C@@H]1NCc1cccc(F)c1C#N ZINC000602019837 350834172 /nfs/dbraw/zinc/83/41/72/350834172.db2.gz JPAXUEHVBCGJPO-ZANVPECISA-N 0 1 250.342 2.681 20 30 CFEDMN CCC[C@@H](CNCc1cccc(F)c1C#N)OCC ZINC000602027928 350834853 /nfs/dbraw/zinc/83/48/53/350834853.db2.gz JKOFJZLELMJICX-ZDUSSCGKSA-N 0 1 264.344 2.992 20 30 CFEDMN C[C@@H]1CCC[C@H](CNCc2cccc(F)c2C#N)O1 ZINC000602027986 350834933 /nfs/dbraw/zinc/83/49/33/350834933.db2.gz KYMPDNQOFWJGBV-DGCLKSJQSA-N 0 1 262.328 2.745 20 30 CFEDMN Cc1nc[nH]c1C(=O)Nc1cc(C#N)ccc1OC(C)C ZINC000602082798 350838448 /nfs/dbraw/zinc/83/84/48/350838448.db2.gz HQZSALJATZIXTP-UHFFFAOYSA-N 0 1 284.319 2.629 20 30 CFEDMN C[C@H](C#N)CSc1ccccc1NC(=O)[C@@H](C)N(C)C ZINC000602096143 350840650 /nfs/dbraw/zinc/84/06/50/350840650.db2.gz KZQIFBXDZCZWBB-VXGBXAGGSA-N 0 1 291.420 2.827 20 30 CFEDMN CNc1ccc(C#N)cc1NC(=O)CN(C)CC(C)(C)C ZINC000602144519 350847034 /nfs/dbraw/zinc/84/70/34/350847034.db2.gz WZOUAIHYYUTUOH-UHFFFAOYSA-N 0 1 288.395 2.516 20 30 CFEDMN N#CCc1cccc(NC(=O)[C@@H]2CCN2C2CCCC2)c1 ZINC000602157501 350847933 /nfs/dbraw/zinc/84/79/33/350847933.db2.gz GGJPXOVHYWEUNC-INIZCTEOSA-N 0 1 283.375 2.708 20 30 CFEDMN C[C@@H](CCC#N)CN[C@H](CO)c1c(F)cccc1F ZINC000602548562 350919901 /nfs/dbraw/zinc/91/99/01/350919901.db2.gz ZPEGDTFXVXDUOH-GXFFZTMASA-N 0 1 268.307 2.528 20 30 CFEDMN C=CCN(CCc1ccco1)Cc1cccc(C#N)n1 ZINC000602590956 350938009 /nfs/dbraw/zinc/93/80/09/350938009.db2.gz LYZLZJURMWLASI-UHFFFAOYSA-N 0 1 267.332 2.777 20 30 CFEDMN C[C@H](CCC#N)C[N@H+]1CCC[C@@H](OCC(F)(F)F)C1 ZINC000602446241 350886269 /nfs/dbraw/zinc/88/62/69/350886269.db2.gz ZMZIFCDWCJKRTB-VXGBXAGGSA-N 0 1 278.318 2.970 20 30 CFEDMN C[N@@H+](Cc1cccc(C#N)n1)C1Cc2ccccc2C1 ZINC000602447061 350886561 /nfs/dbraw/zinc/88/65/61/350886561.db2.gz ABFALVDNECDKGS-UHFFFAOYSA-N 0 1 263.344 2.552 20 30 CFEDMN C[C@@H](CC#N)N(C)C[C@@H]1CCN(c2ccccc2)C1 ZINC000602460695 350889960 /nfs/dbraw/zinc/88/99/60/350889960.db2.gz ASSWAYAPEGNIFA-GJZGRUSLSA-N 0 1 257.381 2.747 20 30 CFEDMN C=CCCCCCN(C)Cc1cn(C)nc1[N+](=O)[O-] ZINC000602471219 350894992 /nfs/dbraw/zinc/89/49/92/350894992.db2.gz ADHIOOGZAJBULA-UHFFFAOYSA-N 0 1 266.345 2.507 20 30 CFEDMN C=CC1CCN(Cc2cc(C(=O)OC)c(C)[nH]2)CC1 ZINC000602473481 350896615 /nfs/dbraw/zinc/89/66/15/350896615.db2.gz NLJUJLWQQLQROJ-UHFFFAOYSA-N 0 1 262.353 2.508 20 30 CFEDMN CC1(C)CCN(Cc2cccc(C#N)n2)CCS1 ZINC000602639308 350957660 /nfs/dbraw/zinc/95/76/60/350957660.db2.gz JGLIJLYONGZFEX-UHFFFAOYSA-N 0 1 261.394 2.671 20 30 CFEDMN C[C@@H](CCC#N)CN[C@@H](C)c1ncc(Br)cn1 ZINC000602669387 350969490 /nfs/dbraw/zinc/96/94/90/350969490.db2.gz IINFCHIIYJTYLI-UWVGGRQHSA-N 0 1 297.200 2.830 20 30 CFEDMN C[C@@H](NCc1cccc(C#N)n1)[C@H]1OCCc2sccc21 ZINC000602672778 350972072 /nfs/dbraw/zinc/97/20/72/350972072.db2.gz ZWUQSIINJNJHNW-BDJLRTHQSA-N 0 1 299.399 2.807 20 30 CFEDMN CCn1ccnc1[C@H](C)N[C@@H](C)CC1(C#N)CCOCC1 ZINC000602679734 350974622 /nfs/dbraw/zinc/97/46/22/350974622.db2.gz BTEJVQXLGAKEAK-KBPBESRZSA-N 0 1 290.411 2.653 20 30 CFEDMN C[C@H](CCC#N)CNCc1noc(-c2cccs2)n1 ZINC000602680435 350975718 /nfs/dbraw/zinc/97/57/18/350975718.db2.gz FNTLQDRPZGHPQM-SNVBAGLBSA-N 0 1 276.365 2.828 20 30 CFEDMN N#Cc1cccc(CN2CCC[C@@]3(CCSC3)C2)n1 ZINC000602681141 350975954 /nfs/dbraw/zinc/97/59/54/350975954.db2.gz KRSAPMIDJPTXPO-OAHLLOKOSA-N 0 1 273.405 2.672 20 30 CFEDMN C=C(CC)CNCc1nc2cc([N+](=O)[O-])ccc2o1 ZINC000602683326 350976820 /nfs/dbraw/zinc/97/68/20/350976820.db2.gz XDWXAWZDKUFNHQ-UHFFFAOYSA-N 0 1 261.281 2.792 20 30 CFEDMN C=CC[C@H]1CCCN(Cc2cc(C(=O)OCC)no2)C1 ZINC000602712072 350993790 /nfs/dbraw/zinc/99/37/90/350993790.db2.gz XSNCMRDFLRRFJC-LBPRGKRZSA-N 0 1 278.352 2.639 20 30 CFEDMN C[C@@]1(C#N)CCN(C[C@H]2CCN(c3ccccc3)C2)C1 ZINC000602719173 350999075 /nfs/dbraw/zinc/99/90/75/350999075.db2.gz UPAQNRAYUIZIHT-WBVHZDCISA-N 0 1 269.392 2.748 20 30 CFEDMN CC(C)(C#N)CN[C@H](c1nnc[nH]1)C1CCCCC1 ZINC000602615012 350947209 /nfs/dbraw/zinc/94/72/09/350947209.db2.gz OVYLTEMHZFQCLZ-LBPRGKRZSA-N 0 1 261.373 2.565 20 30 CFEDMN CN(C[C@@H]1OCCc2ccccc21)CC1(CC#N)CC1 ZINC000602771165 351019413 /nfs/dbraw/zinc/01/94/13/351019413.db2.gz FGVAVBZIDYRHNR-INIZCTEOSA-N 0 1 270.376 2.926 20 30 CFEDMN CCN(C#N)CCN(Cc1ccc(C#N)cc1)C(C)C ZINC000602770033 351019629 /nfs/dbraw/zinc/01/96/29/351019629.db2.gz SMNFBNPXCRIKEG-UHFFFAOYSA-N 0 1 270.380 2.572 20 30 CFEDMN N#CCCN1CCC[C@@H](Cn2cnc3ccccc32)C1 ZINC000602816373 351035827 /nfs/dbraw/zinc/03/58/27/351035827.db2.gz IHQRHSPACOYWGK-CQSZACIVSA-N 0 1 268.364 2.662 20 30 CFEDMN CN(CC1(CC#N)CC1)[C@H](CO)c1ccc(Cl)cc1 ZINC000602837069 351041236 /nfs/dbraw/zinc/04/12/36/351041236.db2.gz SWSKBXUWTYAYPR-CQSZACIVSA-N 0 1 278.783 2.999 20 30 CFEDMN C[C@@H]1CN(CCC2(C#N)CCCCC2)C[C@@H](C)N1CC#N ZINC000602848219 351043748 /nfs/dbraw/zinc/04/37/48/351043748.db2.gz FNQHNWLXCAUWEJ-HZPDHXFCSA-N 0 1 288.439 2.769 20 30 CFEDMN N#Cc1cc(CN2CCC[C@H](c3cccnc3)C2)ccn1 ZINC000602852174 351045220 /nfs/dbraw/zinc/04/52/20/351045220.db2.gz DIEFQSANFDTKCZ-INIZCTEOSA-N 0 1 278.359 2.728 20 30 CFEDMN C[C@@H]1CN(Cc2ccc3ncccc3c2)C[C@H](C)N1CC#N ZINC000602853560 351046301 /nfs/dbraw/zinc/04/63/01/351046301.db2.gz KAKHBOOHESSARI-GASCZTMLSA-N 0 1 294.402 2.653 20 30 CFEDMN C[C@H](c1ccc(C#N)cc1)N1C[C@@H](C)N(CC#N)[C@H](C)C1 ZINC000602856067 351046917 /nfs/dbraw/zinc/04/69/17/351046917.db2.gz JQMSTSIVZVHNPO-RBSFLKMASA-N 0 1 282.391 2.537 20 30 CFEDMN C[C@@H]1CN(Cc2cnc3ccccc3c2)C[C@@H](C)N1CC#N ZINC000602854698 351047463 /nfs/dbraw/zinc/04/74/63/351047463.db2.gz QFAOMISSQGYCCK-HUUCEWRRSA-N 0 1 294.402 2.653 20 30 CFEDMN C[C@H](CC#N)NCCC(=O)Nc1ccc(Cl)cc1F ZINC000602860299 351048233 /nfs/dbraw/zinc/04/82/33/351048233.db2.gz CNKCCHQXMYJTNS-SECBINFHSA-N 0 1 283.734 2.699 20 30 CFEDMN C[C@H](CC#N)NCCC(=O)Nc1cccc(C(F)(F)F)c1 ZINC000602861759 351049648 /nfs/dbraw/zinc/04/96/48/351049648.db2.gz IPAKNVWRRQALGQ-SNVBAGLBSA-N 0 1 299.296 2.926 20 30 CFEDMN CN(CCC(=O)NCC1CCCCC1)[C@H]1CCC[C@H]1C#N ZINC000602976261 351076308 /nfs/dbraw/zinc/07/63/08/351076308.db2.gz NIYDHBITZOIYDG-HOTGVXAUSA-N 0 1 291.439 2.697 20 30 CFEDMN CN(CCC(=O)Nc1ccccc1)[C@@H]1CCC[C@H]1C#N ZINC000602976248 351077211 /nfs/dbraw/zinc/07/72/11/351077211.db2.gz NDVOUGLCEWZARZ-DZGCQCFKSA-N 0 1 271.364 2.639 20 30 CFEDMN CN(CCc1ccc2c(c1)CCO2)[C@@H]1CCC[C@@H]1C#N ZINC000602978312 351078524 /nfs/dbraw/zinc/07/85/24/351078524.db2.gz OQVWMSNZWNSUNX-HZPDHXFCSA-N 0 1 270.376 2.788 20 30 CFEDMN CN(CCCOc1cccc(C#N)c1)[C@H]1CCC[C@H]1C#N ZINC000602978267 351078579 /nfs/dbraw/zinc/07/85/79/351078579.db2.gz OCAVNOHPDDTWIB-RDJZCZTQSA-N 0 1 283.375 2.951 20 30 CFEDMN CN(C[C@H](O)C1CCCCC1)[C@@H]1CCC[C@H]1C#N ZINC000602979202 351079876 /nfs/dbraw/zinc/07/98/76/351079876.db2.gz BBTWJAPMJYNDBJ-ZNMIVQPWSA-N 0 1 250.386 2.552 20 30 CFEDMN CN(CCc1ccc(C#N)cc1)[C@H]1CCC[C@@H]1C#N ZINC000602981579 351082628 /nfs/dbraw/zinc/08/26/28/351082628.db2.gz GJHJGDRLUIHAOK-CVEARBPZSA-N 0 1 253.349 2.725 20 30 CFEDMN N#Cc1cc(CN[C@H]2CCCn3nccc32)ccc1F ZINC000603026659 351091776 /nfs/dbraw/zinc/09/17/76/351091776.db2.gz CGTDDRZTNYARQC-AWEZNQCLSA-N 0 1 270.311 2.519 20 30 CFEDMN N#CC1(CC(=O)Nc2cccc3[nH]nnc32)CCCCC1 ZINC000603061660 351096655 /nfs/dbraw/zinc/09/66/55/351096655.db2.gz SJQAQAZBHHAARF-UHFFFAOYSA-N 0 1 283.335 2.761 20 30 CFEDMN CCc1n[nH]c(S[C@@H](C#N)Cc2ccccc2)n1 ZINC000603453295 351165297 /nfs/dbraw/zinc/16/52/97/351165297.db2.gz LQVAPJLOODVZHN-LLVKDONJSA-N 0 1 258.350 2.594 20 30 CFEDMN CCc1nc(S[C@@H](C#N)Cc2ccccc2)n[nH]1 ZINC000603453295 351165300 /nfs/dbraw/zinc/16/53/00/351165300.db2.gz LQVAPJLOODVZHN-LLVKDONJSA-N 0 1 258.350 2.594 20 30 CFEDMN CCCc1cc(C(=O)N(CCC#N)Cc2ccco2)n[nH]1 ZINC000604537825 351217867 /nfs/dbraw/zinc/21/78/67/351217867.db2.gz UOLMDFUUBVKVEY-UHFFFAOYSA-N 0 1 286.335 2.511 20 30 CFEDMN N#Cc1ccc(CNCc2[nH]nc3ccccc32)c(F)c1 ZINC000609239087 351492772 /nfs/dbraw/zinc/49/27/72/351492772.db2.gz HWVXVWCBLLFDHL-UHFFFAOYSA-N 0 1 280.306 2.863 20 30 CFEDMN Cc1ccc(C)c(CN2CCN([C@H](C#N)C(C)C)CC2)c1 ZINC000609487108 351503342 /nfs/dbraw/zinc/50/33/42/351503342.db2.gz WUFBPYQGYRWOSI-GOSISDBHSA-N 0 1 285.435 2.969 20 30 CFEDMN CCN(CC)Cc1ccc(C(=O)N[C@@](C)(C#N)CC)o1 ZINC000608777638 351470814 /nfs/dbraw/zinc/47/08/14/351470814.db2.gz WIQGUXFVLUHKDZ-OAHLLOKOSA-N 0 1 277.368 2.543 20 30 CFEDMN Cc1cc(CNc2nc(C(F)(F)F)ccc2C#N)n[nH]1 ZINC000609670103 351515253 /nfs/dbraw/zinc/51/52/53/351515253.db2.gz HNQKSJZSLRLXFQ-UHFFFAOYSA-N 0 1 281.241 2.616 20 30 CFEDMN C[C@H](C(=O)N=c1[nH]n(C(C)(C)C)cc1C#N)C1CCCC1 ZINC000610550562 351581438 /nfs/dbraw/zinc/58/14/38/351581438.db2.gz VLOSPEFWMWWGQS-NSHDSACASA-N 0 1 288.395 2.696 20 30 CFEDMN CCC(CC)NC(=O)[C@@H](C)N[C@H](C)c1cccc(C#N)c1 ZINC000610345842 351556878 /nfs/dbraw/zinc/55/68/78/351556878.db2.gz ACOZDFPIQKVUIV-CHWSQXEVSA-N 0 1 287.407 2.902 20 30 CFEDMN C[C@H](N[C@@H](C)c1cccc(C#N)c1)C(=O)N1CCCCCC1 ZINC000610346285 351557304 /nfs/dbraw/zinc/55/73/04/351557304.db2.gz RZMRKNGHXRXIAO-GJZGRUSLSA-N 0 1 299.418 3.000 20 30 CFEDMN CCN1CCCC[C@H]1C(=O)N[C@H](C)c1cccc(C#N)c1 ZINC000610364370 351559717 /nfs/dbraw/zinc/55/97/17/351559717.db2.gz SJWKVMQWODUMKA-CJNGLKHVSA-N 0 1 285.391 2.610 20 30 CFEDMN CC(C)Cc1ccc(CN2CCN(CCC#N)CC2)cc1 ZINC000611175395 351646507 /nfs/dbraw/zinc/64/65/07/351646507.db2.gz XWBGBFXEPUWIOH-UHFFFAOYSA-N 0 1 285.435 2.916 20 30 CFEDMN COc1cc(C#N)ccc1CN(C)CCOC(C)(C)C ZINC000611235882 351654176 /nfs/dbraw/zinc/65/41/76/351654176.db2.gz KFHKMUSJKPAGCJ-UHFFFAOYSA-N 0 1 276.380 2.814 20 30 CFEDMN N#Cc1cccc(CN2CCC[C@H](c3cc[nH]n3)C2)c1F ZINC000611266319 351659613 /nfs/dbraw/zinc/65/96/13/351659613.db2.gz CMKAVFAXGFEMOG-ZDUSSCGKSA-N 0 1 284.338 2.800 20 30 CFEDMN Cc1cc(CNC(=O)N[C@H](CCC#N)c2ccccc2)n[nH]1 ZINC000610973572 351627825 /nfs/dbraw/zinc/62/78/25/351627825.db2.gz GDOQDZBSQIEUBY-OAHLLOKOSA-N 0 1 297.362 2.562 20 30 CFEDMN CNC(=O)[C@H](CC(C)C)N[C@H](C)c1ccc(C#N)cc1F ZINC000611588564 351712092 /nfs/dbraw/zinc/71/20/92/351712092.db2.gz GTUXAVJONRITAN-ABAIWWIYSA-N 0 1 291.370 2.509 20 30 CFEDMN N#Cc1cccc(CN2CCC([C@@H]3CCOC3)CC2)c1F ZINC000612132181 351779045 /nfs/dbraw/zinc/77/90/45/351779045.db2.gz AAJPVNJQCUTHFG-MRXNPFEDSA-N 0 1 288.366 2.946 20 30 CFEDMN Cc1cnn(CCCCCN2CCC[C@@](C)(C#N)C2)c1 ZINC000612161939 351781835 /nfs/dbraw/zinc/78/18/35/351781835.db2.gz CUXNEIRRRRMEGA-INIZCTEOSA-N 0 1 274.412 2.988 20 30 CFEDMN CO[C@@H]1CCCN(Cc2cccc(C#N)c2F)CC1 ZINC000611943542 351754572 /nfs/dbraw/zinc/75/45/72/351754572.db2.gz MUAFITZTPWTGJE-CQSZACIVSA-N 0 1 262.328 2.698 20 30 CFEDMN CC[C@H](NCc1ccnc(C#N)c1)c1c(C)nn(C)c1C ZINC000612488089 351826210 /nfs/dbraw/zinc/82/62/10/351826210.db2.gz NMWWUNGYKXBCBM-HNNXBMFYSA-N 0 1 283.379 2.545 20 30 CFEDMN CC[C@H](NCc1ccnc(C#N)c1)c1c(C)noc1C ZINC000612490897 351826834 /nfs/dbraw/zinc/82/68/34/351826834.db2.gz JLFYAGSDUGJCDL-AWEZNQCLSA-N 0 1 270.336 2.799 20 30 CFEDMN CN(C)Cc1ccsc1C(=O)N1CCC[C@](C)(C#N)C1 ZINC000612369602 351809675 /nfs/dbraw/zinc/80/96/75/351809675.db2.gz KZQAZBALJLPKHQ-OAHLLOKOSA-N 0 1 291.420 2.576 20 30 CFEDMN CCc1nnc(SCCCOc2cccc(C#N)c2)[nH]1 ZINC000122859448 187055852 /nfs/dbraw/zinc/05/58/52/187055852.db2.gz XNJNOPOKWLWEOH-UHFFFAOYSA-N 0 1 288.376 2.800 20 30 CFEDMN CCc1n[nH]c(SCCCOc2cccc(C#N)c2)n1 ZINC000122859448 187055853 /nfs/dbraw/zinc/05/58/53/187055853.db2.gz XNJNOPOKWLWEOH-UHFFFAOYSA-N 0 1 288.376 2.800 20 30 CFEDMN C[C@@H](c1cccc(C#N)c1)N1CCC(F)(F)[C@@H](CO)C1 ZINC000291950945 198115420 /nfs/dbraw/zinc/11/54/20/198115420.db2.gz UPMXCMYGVZQPOD-SMDDNHRTSA-N 0 1 280.318 2.569 20 30 CFEDMN C[C@@H](C[S@](C)=O)N(C)Cc1ccc(C(C)(C)C#N)cc1 ZINC000614184067 352057898 /nfs/dbraw/zinc/05/78/98/352057898.db2.gz YUKGTKYXWJQJCD-RBZFPXEDSA-N 0 1 292.448 2.687 20 30 CFEDMN CCN1C[C@@H](C)[N@H+](Cc2ccc(C#N)cc2C)C[C@H]1C ZINC000614403442 352090342 /nfs/dbraw/zinc/09/03/42/352090342.db2.gz YJPTWRINYDDEKO-HUUCEWRRSA-N 0 1 271.408 2.781 20 30 CFEDMN N#C[C@@]1(F)CCN(C(=O)c2cc(C3CCCCC3)[nH]n2)C1 ZINC000615591807 352215205 /nfs/dbraw/zinc/21/52/05/352215205.db2.gz RGOFIVCAMXXSTG-HNNXBMFYSA-N 0 1 290.342 2.535 20 30 CFEDMN C[C@@](CO)(NCC#Cc1ccccc1)c1ccccc1 ZINC000134328759 539834626 /nfs/dbraw/zinc/83/46/26/539834626.db2.gz IFVALNJFBPJNFL-SFHVURJKSA-N 0 1 265.356 2.535 20 30 CFEDMN COC(=O)[C@@H]1[C@@H]2CCC[C@@H]2CN1Cc1ccc(CC#N)cc1 ZINC000615633130 352221622 /nfs/dbraw/zinc/22/16/22/352221622.db2.gz RPMUSORJTDOBNH-ZACQAIPSSA-N 0 1 298.386 2.526 20 30 CFEDMN Cc1nc(N[C@@H](C)c2n[nH]c(C(C)C)n2)ccc1C#N ZINC000292022891 198136852 /nfs/dbraw/zinc/13/68/52/198136852.db2.gz SXYKSBOKTOQRJJ-JTQLQIEISA-N 0 1 270.340 2.676 20 30 CFEDMN C=CCN(C(=O)c1cc(-c2ccc(OC)cc2)[nH]n1)C1CC1 ZINC000271488265 191170104 /nfs/dbraw/zinc/17/01/04/191170104.db2.gz JBZPXRXAZBVRQI-UHFFFAOYSA-N 0 1 297.358 2.876 20 30 CFEDMN N#Cc1cc(CN2CCC(c3ccncc3)CC2)ccn1 ZINC000617570846 352591312 /nfs/dbraw/zinc/59/13/12/352591312.db2.gz ICVLOFRGMDBZEH-UHFFFAOYSA-N 0 1 278.359 2.728 20 30 CFEDMN C=CCN(C(=O)c1cnc(-c2ccccc2)[nH]1)[C@@H](C)COC ZINC000617580089 352595306 /nfs/dbraw/zinc/59/53/06/352595306.db2.gz QHHBXHBHVANPTR-ZDUSSCGKSA-N 0 1 299.374 2.740 20 30 CFEDMN C[C@@H](CCC#N)CN1CCN([C@@H](C#N)c2ccccc2)CC1 ZINC000618887236 352904434 /nfs/dbraw/zinc/90/44/34/352904434.db2.gz NPZUTMQLXIPRPH-WMZOPIPTSA-N 0 1 296.418 2.809 20 30 CFEDMN Cc1ccc(C(=O)N2CCN(C[C@@H](C)CCC#N)CC2)cc1 ZINC000618888489 352905392 /nfs/dbraw/zinc/90/53/92/352905392.db2.gz ZPKNZHBRMDIPOU-INIZCTEOSA-N 0 1 299.418 2.693 20 30 CFEDMN Cc1ccc(C#N)cc1NC(=O)c1cc(O)cc(C#N)c1 ZINC000619438455 353023819 /nfs/dbraw/zinc/02/38/19/353023819.db2.gz USZZDEZAJVUAJP-UHFFFAOYSA-N 0 1 277.283 2.696 20 30 CFEDMN N#CC1(c2ccccn2)CCN(Cc2ccc(O)cc2)CC1 ZINC000619726336 353060827 /nfs/dbraw/zinc/06/08/27/353060827.db2.gz QDECCBTWUYOGBX-UHFFFAOYSA-N 0 1 293.370 2.845 20 30 CFEDMN Cc1csc(C(C#N)C(=O)c2ccc3[nH]c(=O)oc3c2)n1 ZINC000619752468 353063658 /nfs/dbraw/zinc/06/36/58/353063658.db2.gz YVBUVAPKDWCRGJ-VIFPVBQESA-N 0 1 299.311 2.788 20 30 CFEDMN N#C[C@H](c1ccc(Cl)cc1)N1CCN(CC2CC2)CC1 ZINC000619784759 353066841 /nfs/dbraw/zinc/06/68/41/353066841.db2.gz PLYJGFCXRQVWNZ-MRXNPFEDSA-N 0 1 289.810 2.932 20 30 CFEDMN C[C@@H]1CC[N@@H+](CCCC2(C#N)CCOCC2)C[C@@H]1F ZINC000619621212 353040898 /nfs/dbraw/zinc/04/08/98/353040898.db2.gz NURHMGITUGHBNE-KGLIPLIRSA-N 0 1 268.376 2.767 20 30 CFEDMN C=C[C@@H](Sc1nc(-c2ccc(C)cc2)n[nH]1)C(=O)OC ZINC000619687298 353049342 /nfs/dbraw/zinc/04/93/42/353049342.db2.gz LIEPZOAJMXXGRX-LLVKDONJSA-N 0 1 289.360 2.600 20 30 CFEDMN C=C1C[C@H]2CC[C@@H](C1)N2C(=O)c1ccc(F)cc1O ZINC000620305782 353149161 /nfs/dbraw/zinc/14/91/61/353149161.db2.gz QYXDUJLPXYVIOD-TXEJJXNPSA-N 0 1 261.296 2.855 20 30 CFEDMN Cc1ccoc1CN(C)C[C@H](O)c1ccc(C#N)cc1 ZINC000292339237 198250947 /nfs/dbraw/zinc/25/09/47/198250947.db2.gz PBJRZUUESNQVAO-HNNXBMFYSA-N 0 1 270.332 2.625 20 30 CFEDMN C=C[C@](C)(CC)C(=O)NC[C@H]1CCN1Cc1ccccc1 ZINC000620782661 353232468 /nfs/dbraw/zinc/23/24/68/353232468.db2.gz OFPDWAUEJVDWTJ-SJLPKXTDSA-N 0 1 286.419 2.979 20 30 CFEDMN C=C(C)CN(CC)C(=O)CN[C@@H](C)c1ccc(OC)cc1 ZINC000271677956 191272778 /nfs/dbraw/zinc/27/27/78/191272778.db2.gz OIQXOCRGXBPWKA-AWEZNQCLSA-N 0 1 290.407 2.770 20 30 CFEDMN CN(Cc1ccc(C#N)cc1[N+](=O)[O-])CC(C)(C)C ZINC000566301965 290368536 /nfs/dbraw/zinc/36/85/36/290368536.db2.gz QZBOSQSMAASODA-UHFFFAOYSA-N 0 1 261.325 2.944 20 30 CFEDMN C=CCN(Cc1ccc(F)c(F)c1)[C@@H](C)COC ZINC000621317551 353321436 /nfs/dbraw/zinc/32/14/36/353321436.db2.gz KEUHGLXUUNUSHQ-NSHDSACASA-N 0 1 255.308 2.988 20 30 CFEDMN C[C@H]1CCN(CC#Cc2ccc(Cl)cc2)C[C@H]1CO ZINC000621366314 353339279 /nfs/dbraw/zinc/33/92/79/353339279.db2.gz JJVMMQBMWZCVFA-ZFWWWQNUSA-N 0 1 277.795 2.642 20 30 CFEDMN C[C@H]1CCN(CC#Cc2cccc(Cl)c2)C[C@H]1CO ZINC000621370182 353340300 /nfs/dbraw/zinc/34/03/00/353340300.db2.gz DDMRRJSYGYBSQW-ZFWWWQNUSA-N 0 1 277.795 2.642 20 30 CFEDMN C=CC[C@H]1CCN(C(=O)NCc2nc3cccc(C)c3[nH]2)C1 ZINC000623828200 353733282 /nfs/dbraw/zinc/73/32/82/353733282.db2.gz NECDQUGTEPAWPZ-ZDUSSCGKSA-N 0 1 298.390 2.979 20 30 CFEDMN C=CC(C)(C)CCNC(=O)NC[C@H]1CC[N@H+]1C1CCCC1 ZINC000624459497 353885112 /nfs/dbraw/zinc/88/51/12/353885112.db2.gz DIWNOMNEIJRAFF-OAHLLOKOSA-N 0 1 293.455 2.905 20 30 CFEDMN C=CCC1(C(=O)NCc2ccc3c(=N)[nH]oc3c2)CCCC1 ZINC000627801941 354406331 /nfs/dbraw/zinc/40/63/31/354406331.db2.gz AMRSFMFZCUWAPF-UHFFFAOYSA-N 0 1 299.374 2.993 20 30 CFEDMN C=CC[C@H]1CCN(Cc2c(C(F)(F)F)cnn2C)C1 ZINC000628406322 354580343 /nfs/dbraw/zinc/58/03/43/354580343.db2.gz HMBJRUMOTFZBPH-JTQLQIEISA-N 0 1 273.302 2.837 20 30 CFEDMN C=CC[C@@H]1CCN(C(=O)c2cccc(-c3nnc[nH]3)c2)C1 ZINC000628490342 354605936 /nfs/dbraw/zinc/60/59/36/354605936.db2.gz WIRWMVSRWIWJQG-GFCCVEGCSA-N 0 1 282.347 2.510 20 30 CFEDMN C=CC[C@H]1CC[N@H+](Cc2ccc(C(=O)[O-])cc2F)C1 ZINC000629366853 354789457 /nfs/dbraw/zinc/78/94/57/354789457.db2.gz ZNHANIDVWHRRMK-NSHDSACASA-N 0 1 263.312 2.922 20 30 CFEDMN C=CC[C@@H]1CC[N@H+](Cc2ccc(C(=O)[O-])s2)C1 ZINC000629366202 354789670 /nfs/dbraw/zinc/78/96/70/354789670.db2.gz JGHZTACINRPCGJ-SNVBAGLBSA-N 0 1 251.351 2.844 20 30 CFEDMN C=CC[C@H](Cc1ccccc1)NC(=O)CN(C)C1CCC1 ZINC000630007364 354982408 /nfs/dbraw/zinc/98/24/08/354982408.db2.gz GKTGZZYGCYVNNS-MRXNPFEDSA-N 0 1 286.419 2.774 20 30 CFEDMN COCC#CC[N@H+]1CCC[C@@H]1/C=C/c1ccccc1 ZINC000679545003 540085501 /nfs/dbraw/zinc/08/55/01/540085501.db2.gz JLWPNBUFZYYWRB-FMQWLBJXSA-N 0 1 255.361 2.814 20 30 CFEDMN COCC#CCN1CCC[C@@H]1/C=C/c1ccccc1 ZINC000679545003 540085503 /nfs/dbraw/zinc/08/55/03/540085503.db2.gz JLWPNBUFZYYWRB-FMQWLBJXSA-N 0 1 255.361 2.814 20 30 CFEDMN C=CCOc1ccc(CN[C@H](C)[C@@H](O)C(F)(F)F)cc1 ZINC000631233389 355365181 /nfs/dbraw/zinc/36/51/81/355365181.db2.gz ZYOFFKODZALGDB-ZWNOBZJWSA-N 0 1 289.297 2.653 20 30 CFEDMN N#Cc1cc(F)ccc1CN1CCCC12CCOCC2 ZINC000372456929 283098311 /nfs/dbraw/zinc/09/83/11/283098311.db2.gz HZBQQQVZYYGGJR-UHFFFAOYSA-N 0 1 274.339 2.842 20 30 CFEDMN C=C1CC(C)(C(=O)NCCc2nc3ccc(F)cc3[nH]2)C1 ZINC000631565823 355490480 /nfs/dbraw/zinc/49/04/80/355490480.db2.gz IWAILZJCPIWPOA-UHFFFAOYSA-N 0 1 287.338 2.717 20 30 CFEDMN C=C[C@@H]1CCCCN1C(=O)c1n[nH]cc1C(F)(F)F ZINC000632780534 355744080 /nfs/dbraw/zinc/74/40/80/355744080.db2.gz KYBHDORWADIDQX-MRVPVSSYSA-N 0 1 273.258 2.609 20 30 CFEDMN N#Cc1ccc(C(=O)N2CCCc3cccc(O)c32)cc1O ZINC000188836574 283124577 /nfs/dbraw/zinc/12/45/77/283124577.db2.gz ZTXPHRNTUACAQL-UHFFFAOYSA-N 0 1 294.310 2.562 20 30 CFEDMN C=CCCCCCN(C)C(=O)c1cnccc1N(C)C ZINC000273654198 192248312 /nfs/dbraw/zinc/24/83/12/192248312.db2.gz WYZYUZPNFSJMRK-UHFFFAOYSA-N 0 1 275.396 2.966 20 30 CFEDMN N#Cc1ccc([C@H](N[C@H]2C[C@@H]2C2CCCCC2)C(N)=O)cc1 ZINC000439623450 283188655 /nfs/dbraw/zinc/18/86/55/283188655.db2.gz JKXXDRFKBTXAEZ-IKGGRYGDSA-N 0 1 297.402 2.643 20 30 CFEDMN N#Cc1ccc2c(c1)[C@H](NCc1ccc(F)cn1)CC2 ZINC000334843371 283198917 /nfs/dbraw/zinc/19/89/17/283198917.db2.gz LPNQQDHQDPOWJU-MRXNPFEDSA-N 0 1 267.307 2.869 20 30 CFEDMN C=CCN(C)[C@H]1CCN([C@H](C)c2ccc(F)cc2)C1=O ZINC000294479756 199055746 /nfs/dbraw/zinc/05/57/46/199055746.db2.gz HEYGMTKZHNBPNU-DOMZBBRYSA-N 0 1 276.355 2.605 20 30 CFEDMN CCn1cc([C@H](C)NCc2ccc(C#N)s2)cn1 ZINC000294846712 199210957 /nfs/dbraw/zinc/21/09/57/199210957.db2.gz NBBFFXCSXBQWNV-JTQLQIEISA-N 0 1 260.366 2.687 20 30 CFEDMN C=C[C@](C)(CC)C(=O)NCc1ccc2cncn2c1 ZINC000297161677 200102088 /nfs/dbraw/zinc/10/20/88/200102088.db2.gz JJRSOBLHAKTSEG-OAHLLOKOSA-N 0 1 257.337 2.553 20 30 CFEDMN CCC#C[C@H](C)N[C@@H](C)c1ccc(S(=O)(=O)CC)cc1 ZINC000671256275 540609565 /nfs/dbraw/zinc/60/95/65/540609565.db2.gz VTTMECNXKAZASS-KBPBESRZSA-N 0 1 293.432 2.933 20 30 CFEDMN C=CCC1(C(=O)NCc2ccc3cncn3c2)CCC1 ZINC000297263929 200129527 /nfs/dbraw/zinc/12/95/27/200129527.db2.gz PGVRRXATJSKSHX-UHFFFAOYSA-N 0 1 269.348 2.697 20 30 CFEDMN COCC#CCN1CC[C@H](C(F)(F)F)C2(CCC2)C1 ZINC000669943941 540624460 /nfs/dbraw/zinc/62/44/60/540624460.db2.gz LJLJYPFNPUEPHI-LBPRGKRZSA-N 0 1 275.314 2.691 20 30 CFEDMN C[C@@H]1CN(CCCNc2cccc(F)c2C#N)C[C@H](C)O1 ZINC000298087102 200330508 /nfs/dbraw/zinc/33/05/08/200330508.db2.gz JEHPGXWCBMHKMQ-BETUJISGSA-N 0 1 291.370 2.609 20 30 CFEDMN C[C@H](O)CCN(C)CC#Cc1ccc(C(F)(F)F)cc1 ZINC000177308112 189043540 /nfs/dbraw/zinc/04/35/40/189043540.db2.gz HBWXDXJGFIOQPF-LBPRGKRZSA-N 0 1 285.309 2.760 20 30 CFEDMN C=CC[C@H]1N(C(=O)N[C@@H]2CCCN(C)C2)CCCC1(C)C ZINC000683542132 540770785 /nfs/dbraw/zinc/77/07/85/540770785.db2.gz CZWGQLGMKKJWHR-HUUCEWRRSA-N 0 1 293.455 2.857 20 30 CFEDMN C=CCSCCN[C@@H](C(=O)NC1CC1)c1ccccc1 ZINC000180218474 189244459 /nfs/dbraw/zinc/24/44/59/189244459.db2.gz JWZYUFZYTDNVOH-OAHLLOKOSA-N 0 1 290.432 2.515 20 30 CFEDMN C=CCNC(=O)CN[C@H](CC(C)C)c1ccccc1OC ZINC000181706716 189304784 /nfs/dbraw/zinc/30/47/84/189304784.db2.gz OYTUXAOQVJIAFR-OAHLLOKOSA-N 0 1 290.407 2.674 20 30 CFEDMN C=CCOCCCN1CCO[C@@H](Cc2ccccc2)C1 ZINC000348023858 781941488 /nfs/dbraw/zinc/94/14/88/781941488.db2.gz CLDNQUKDJZRPKL-KRWDZBQOSA-N 0 1 275.392 2.523 20 30 CFEDMN C[C@H](c1cccc(C#N)c1)N(C)Cc1ccnc(N)c1 ZINC000425538415 239095308 /nfs/dbraw/zinc/09/53/08/239095308.db2.gz RUXQKSHXADIVHS-GFCCVEGCSA-N 0 1 266.348 2.559 20 30 CFEDMN C=CC[C@H](CO)Nc1nccc2cc(OC)c(OC)cc21 ZINC000320595586 541305349 /nfs/dbraw/zinc/30/53/49/541305349.db2.gz ANIPDOIWOQIHLY-GFCCVEGCSA-N 0 1 288.347 2.601 20 30 CFEDMN C=CCC[C@H](C(=O)Nc1nnc(C)[nH]1)c1ccccc1 ZINC000189124923 189524280 /nfs/dbraw/zinc/52/42/80/189524280.db2.gz WMQJIPCPCPDEKW-ZDUSSCGKSA-N 0 1 270.336 2.802 20 30 CFEDMN COc1ccc(F)cc1[C@@H](C)NCc1cc(C#N)n(C)c1 ZINC000189585717 189538705 /nfs/dbraw/zinc/53/87/05/189538705.db2.gz KXHMIEUHVKBGGI-LLVKDONJSA-N 0 1 287.338 2.895 20 30 CFEDMN CC(=O)c1cc(NC(=O)c2cc(O)cc(C#N)c2)ccc1F ZINC000672115970 541413982 /nfs/dbraw/zinc/41/39/82/541413982.db2.gz QYIZHZHJTHEPOP-UHFFFAOYSA-N 0 1 298.273 2.858 20 30 CFEDMN CC(C)N1CCN(c2ccc(C(F)(F)F)c(C#N)n2)CC1 ZINC000443515283 241070628 /nfs/dbraw/zinc/07/06/28/241070628.db2.gz AXZNKKAVCIIRQN-UHFFFAOYSA-N 0 1 298.312 2.502 20 30 CFEDMN CNC(=O)c1cccc(CNCc2ccc(C#N)c(C)c2)c1 ZINC000443956874 241098360 /nfs/dbraw/zinc/09/83/60/241098360.db2.gz AKDIQZIRCMPZPV-UHFFFAOYSA-N 0 1 293.370 2.516 20 30 CFEDMN Cc1cc(CN[C@@H](C)C(=O)N2CCCC[C@H]2C)ccc1C#N ZINC000443970727 241099067 /nfs/dbraw/zinc/09/90/67/241099067.db2.gz SHBGDFXHVOVVMV-CABCVRRESA-N 0 1 299.418 2.746 20 30 CFEDMN Cc1noc(C)c1CNCc1ccc(C#N)c(C)c1 ZINC000443978795 241099462 /nfs/dbraw/zinc/09/94/62/241099462.db2.gz MMPBRTMZQUPITG-UHFFFAOYSA-N 0 1 255.321 2.761 20 30 CFEDMN C[C@H](O)[C@H]1C[C@H](C)CCN1Cc1cccc(C#N)c1F ZINC000443340341 241054075 /nfs/dbraw/zinc/05/40/75/241054075.db2.gz ASDLNCHWORFMCG-TYNCELHUSA-N 0 1 276.355 2.679 20 30 CFEDMN C[C@H](O)[C@@H]1C[C@H](C)CCN1Cc1cc(C#N)ccc1F ZINC000443350072 241054958 /nfs/dbraw/zinc/05/49/58/241054958.db2.gz ZMNIUIWXJVQLFE-WQGACYEGSA-N 0 1 276.355 2.679 20 30 CFEDMN CCn1cc([C@H](C)NCc2cc(C#N)cs2)cn1 ZINC000449671844 242099547 /nfs/dbraw/zinc/09/95/47/242099547.db2.gz UDPVZZMVCZVLBN-JTQLQIEISA-N 0 1 260.366 2.687 20 30 CFEDMN Cc1cc2[nH]ncc2cc1Nc1nccc(C#N)c1[N+](=O)[O-] ZINC000302700838 201517705 /nfs/dbraw/zinc/51/77/05/201517705.db2.gz HWQIVCSDLDOZTD-UHFFFAOYSA-N 0 1 294.274 2.790 20 30 CFEDMN N#Cc1cccnc1N1CCN(CC2=CCCCC2)CC1 ZINC000450225174 242313767 /nfs/dbraw/zinc/31/37/67/242313767.db2.gz XVUGHMQFISCFMB-UHFFFAOYSA-N 0 1 282.391 2.576 20 30 CFEDMN CCN(Cc1ccc(OC)cc1)Cc1ccc(C#N)cn1 ZINC000571294701 383682000 /nfs/dbraw/zinc/68/20/00/383682000.db2.gz CCHGZNZZCMJTRZ-UHFFFAOYSA-N 0 1 281.359 2.984 20 30 CFEDMN CC(C)C(=O)N[C@H]1CCCN([C@H](C)c2ccc(C#N)cc2)C1 ZINC000330824098 203281112 /nfs/dbraw/zinc/28/11/12/203281112.db2.gz OAFQGOFCIKSNGI-PBHICJAKSA-N 0 1 299.418 2.856 20 30 CFEDMN C=CCCN(C)C(=O)NC[C@H](c1ccco1)N(CC)CC ZINC000276469730 193344419 /nfs/dbraw/zinc/34/44/19/193344419.db2.gz XCVPXAUNJJDKNZ-CQSZACIVSA-N 0 1 293.411 2.880 20 30 CFEDMN C=CCCN(C)[C@H](C)C(=O)Nc1ccc(OC)c(OC)c1 ZINC000276527793 193368201 /nfs/dbraw/zinc/36/82/01/193368201.db2.gz ZOICWPKQKUHPHC-GFCCVEGCSA-N 0 1 292.379 2.539 20 30 CFEDMN CCC#C[C@@H](C)N1CCN(Cc2ccccc2)CC1 ZINC000677047499 541813754 /nfs/dbraw/zinc/81/37/54/541813754.db2.gz CJDVDOZGRCVQLC-MRXNPFEDSA-N 0 1 256.393 2.606 20 30 CFEDMN CC[N@@H+]1C[C@@H](C)N(Cc2ccc(F)cc2C#N)[C@@H](C)C1 ZINC000459475145 245190084 /nfs/dbraw/zinc/19/00/84/245190084.db2.gz KNKKPKORCTYRGU-BETUJISGSA-N 0 1 275.371 2.612 20 30 CFEDMN C=C(C)[C@H](CO)[N@H+]1CCC[C@H](c2nc3ccccc3o2)C1 ZINC000677480207 541865689 /nfs/dbraw/zinc/86/56/89/541865689.db2.gz VEKRTFUMJXODOJ-ZFWWWQNUSA-N 0 1 286.375 2.944 20 30 CFEDMN Cc1ccc(NS(=O)(=O)c2ccccc2C#N)cc1 ZINC000016101174 372100059 /nfs/dbraw/zinc/10/00/59/372100059.db2.gz VNJMNNAFDAQVOR-UHFFFAOYSA-N 0 1 272.329 2.668 20 30 CFEDMN Cc1nc([C@H](C)NC(=O)[C@@H]2CCC[N@@H+]2C2CCCC2)n[nH]1 ZINC000329216917 227358399 /nfs/dbraw/zinc/35/83/99/227358399.db2.gz PHBLBZKDPNJBAG-GWCFXTLKSA-N 0 1 291.399 2.538 20 30 CFEDMN Cc1nc([C@H](C)NC(=O)[C@@H]2CCC[N@H+]2C2CCCC2)n[nH]1 ZINC000329216917 227358402 /nfs/dbraw/zinc/35/84/02/227358402.db2.gz PHBLBZKDPNJBAG-GWCFXTLKSA-N 0 1 291.399 2.538 20 30 CFEDMN C[C@H]1CCC[C@H](C)N1CC(=O)Nc1cccc(C#N)c1 ZINC000019846940 372199810 /nfs/dbraw/zinc/19/98/10/372199810.db2.gz VHSFQIRUGAZTKP-STQMWFEESA-N 0 1 271.364 2.760 20 30 CFEDMN C#CCN(CC)Cc1nc2ccc(Br)cc2[nH]1 ZINC000491043415 261307918 /nfs/dbraw/zinc/30/79/18/261307918.db2.gz BHGVVVBSAQXBFI-UHFFFAOYSA-N 0 1 292.180 2.781 20 30 CFEDMN C[C@@H](NCC(=O)NC1CCCCC1)c1ccc(C#N)cc1 ZINC000037749618 372697838 /nfs/dbraw/zinc/69/78/38/372697838.db2.gz NDOBZJSFAWJXER-CYBMUJFWSA-N 0 1 285.391 2.658 20 30 CFEDMN N#CC(C(=O)CC1(c2ccccc2)CC1)c1ccncn1 ZINC000528987389 383684936 /nfs/dbraw/zinc/68/49/36/383684936.db2.gz MWQSVVNZIVMFMY-CQSZACIVSA-N 0 1 277.327 2.775 20 30 CFEDMN C=C(C)CN(CC)C(=O)[C@@H](C)N1CCc2ccccc2C1 ZINC000042242169 372894221 /nfs/dbraw/zinc/89/42/21/372894221.db2.gz CQKSVQMHKTXHPZ-OAHLLOKOSA-N 0 1 286.419 2.858 20 30 CFEDMN CCN(Cc1ccc(C#N)cc1F)C[C@H]1CCCO1 ZINC000047725862 373116082 /nfs/dbraw/zinc/11/60/82/373116082.db2.gz JNLBTSGNTNWTIO-CQSZACIVSA-N 0 1 262.328 2.698 20 30 CFEDMN Cc1ccc(C#N)cc1NS(=O)(=O)c1ccccc1C#N ZINC000050212742 373363750 /nfs/dbraw/zinc/36/37/50/373363750.db2.gz LEGIJOHJTWDVAA-UHFFFAOYSA-N 0 1 297.339 2.539 20 30 CFEDMN COc1cc(CN[C@@H](C)c2cccnc2)ccc1C#N ZINC000234939081 220228575 /nfs/dbraw/zinc/22/85/75/220228575.db2.gz QRLFUXHRBRISEQ-LBPRGKRZSA-N 0 1 267.332 2.813 20 30 CFEDMN C=C[C@@H](CO)N[C@@H](C)c1cc2cccc(OC)c2o1 ZINC000289568170 197406799 /nfs/dbraw/zinc/40/67/99/197406799.db2.gz ATMYGJKHOPXDEN-JQWIXIFHSA-N 0 1 261.321 2.639 20 30 CFEDMN CC1(C)CCN(CC(=O)Nc2ccc(C#N)cc2)CC1 ZINC000061803910 373725481 /nfs/dbraw/zinc/72/54/81/373725481.db2.gz QHTHIUBBMHUIOS-UHFFFAOYSA-N 0 1 271.364 2.619 20 30 CFEDMN C=CCN(Cc1cccs1)C(=O)CN1CCC(C)CC1 ZINC000061757992 373726771 /nfs/dbraw/zinc/72/67/71/373726771.db2.gz VPUFJILZGVPAMM-UHFFFAOYSA-N 0 1 292.448 2.995 20 30 CFEDMN COCCN(CCOC(C)(C)C)Cc1ccc(C#N)cc1 ZINC000063753460 373815261 /nfs/dbraw/zinc/81/52/61/373815261.db2.gz XCYQCOIIMIYDFD-UHFFFAOYSA-N 0 1 290.407 2.822 20 30 CFEDMN CN(C(=O)c1cc(-c2ccccc2)[nH]n1)C1(C#N)CCC1 ZINC000066335595 373924720 /nfs/dbraw/zinc/92/47/20/373924720.db2.gz VNYCWWADLKBPIJ-UHFFFAOYSA-N 0 1 280.331 2.595 20 30 CFEDMN N#Cc1cc(CN2CCCc3ccccc3C2)ccn1 ZINC000068766781 374038902 /nfs/dbraw/zinc/03/89/02/374038902.db2.gz HKKIFVLJAMGHES-UHFFFAOYSA-N 0 1 263.344 2.902 20 30 CFEDMN C[C@@H]1CCCN(CC(=O)Nc2ccc(C#N)cc2)CC1 ZINC000070158191 374129669 /nfs/dbraw/zinc/12/96/69/374129669.db2.gz IOUBKYIKQAXPAP-CYBMUJFWSA-N 0 1 271.364 2.619 20 30 CFEDMN C=CCNC(=O)[C@@H](C)N(C)Cc1ccc(C(C)C)cc1 ZINC000070741545 374202596 /nfs/dbraw/zinc/20/25/96/374202596.db2.gz FXZOIQOAZOTVPL-CQSZACIVSA-N 0 1 274.408 2.933 20 30 CFEDMN COCC#CCN1CCC(c2ccc(F)c(F)c2)CC1 ZINC000677818455 541910023 /nfs/dbraw/zinc/91/00/23/541910023.db2.gz OJZBQJZNRLUJBY-UHFFFAOYSA-N 0 1 279.330 2.794 20 30 CFEDMN CCc1nc2c(s1)[C@@H](N(C)CC#CCOC)CCC2 ZINC000677818677 541910203 /nfs/dbraw/zinc/91/02/03/541910203.db2.gz FSPZUAOLONCPPQ-ZDUSSCGKSA-N 0 1 278.421 2.665 20 30 CFEDMN CN(C(=O)C(C)(C)C#N)[C@H]1CCCN(Cc2ccccc2)C1 ZINC000074808336 374439514 /nfs/dbraw/zinc/43/95/14/374439514.db2.gz FUSWGSFFEDBITN-INIZCTEOSA-N 0 1 299.418 2.659 20 30 CFEDMN C[C@H]1CCCN(Cc2nnc(-c3ccc(C#N)cc3)o2)C1 ZINC000075616396 374495970 /nfs/dbraw/zinc/49/59/70/374495970.db2.gz WIHDMROELXPOHF-LBPRGKRZSA-N 0 1 282.347 2.840 20 30 CFEDMN C[C@H]1CCCCN1Cc1nnc(-c2ccc(C#N)cc2)o1 ZINC000075617509 374495218 /nfs/dbraw/zinc/49/52/18/374495218.db2.gz LCUVQDNLCRNXQV-LBPRGKRZSA-N 0 1 282.347 2.983 20 30 CFEDMN CCC[C@]1(C)CCCN(CC(=O)N[C@@](C)(C#N)C(C)C)C1 ZINC000076146095 374538147 /nfs/dbraw/zinc/53/81/47/374538147.db2.gz OELJKJSJDLLLER-SJORKVTESA-N 0 1 293.455 2.943 20 30 CFEDMN N#Cc1ccc(CNCc2cnc3n2CCCC3)cc1F ZINC000571513006 383700842 /nfs/dbraw/zinc/70/08/42/383700842.db2.gz JUBJWYPJRNMLJI-UHFFFAOYSA-N 0 1 284.338 2.520 20 30 CFEDMN CCOC[C@@H]1CCN(Cc2cn3ccccc3c2C#N)C1 ZINC000081544973 374703823 /nfs/dbraw/zinc/70/38/23/374703823.db2.gz YLUHSFKHPYPEHT-CQSZACIVSA-N 0 1 283.375 2.669 20 30 CFEDMN COc1ccc(CN2CCCSCC2)cc1C#N ZINC000087833215 374833462 /nfs/dbraw/zinc/83/34/62/374833462.db2.gz LLFJPHCUWGDWFX-UHFFFAOYSA-N 0 1 262.378 2.506 20 30 CFEDMN C=CCN(CC1CCC(C)(C)CC1)[C@@H]1CCS(=O)(=O)C1 ZINC000092361323 375104714 /nfs/dbraw/zinc/10/47/14/375104714.db2.gz MJOGEMUJVDLZPM-OAHLLOKOSA-N 0 1 299.480 2.878 20 30 CFEDMN COC(=O)c1ccc(CN[C@@H](C)c2ccc(C#N)cc2)[nH]1 ZINC000093084623 375184464 /nfs/dbraw/zinc/18/44/64/375184464.db2.gz SNFRNXGYUFIACF-NSHDSACASA-N 0 1 283.331 2.524 20 30 CFEDMN C=CCc1cc(CN2CCCOC[C@@H]2C)cc(OC)c1O ZINC000678272371 541993519 /nfs/dbraw/zinc/99/35/19/541993519.db2.gz FAEKRTTZRRFPIK-ZDUSSCGKSA-N 0 1 291.391 2.740 20 30 CFEDMN C=CC1CCN(Cc2ccc(C(=O)OCC)o2)CC1 ZINC000093359322 375223819 /nfs/dbraw/zinc/22/38/19/375223819.db2.gz RYAYWILYUUOWSS-UHFFFAOYSA-N 0 1 263.337 2.854 20 30 CFEDMN C=CCCC(=O)Nc1[nH]nc(-c2ccncc2)c1CC ZINC000102869332 375697158 /nfs/dbraw/zinc/69/71/58/375697158.db2.gz VVUFHKWICJGAMQ-UHFFFAOYSA-N 0 1 270.336 2.939 20 30 CFEDMN C=C(CC)C[N@@H+](C)Cc1ccc(C(=O)NC2CC2)cc1 ZINC000678625074 542055712 /nfs/dbraw/zinc/05/57/12/542055712.db2.gz LYDGHEMYTVKADN-UHFFFAOYSA-N 0 1 272.392 2.977 20 30 CFEDMN CCOC[C@@H]1CCCN(Cc2cc(C#N)ccc2F)C1 ZINC000113936545 376042568 /nfs/dbraw/zinc/04/25/68/376042568.db2.gz GYNITWODCNLWOU-CQSZACIVSA-N 0 1 276.355 2.946 20 30 CFEDMN C=C(C)CN(CC)CC(=O)NCc1ccc(CC)s1 ZINC000114712569 376082430 /nfs/dbraw/zinc/08/24/30/376082430.db2.gz ZJPJPFPEHSUNEI-UHFFFAOYSA-N 0 1 280.437 2.825 20 30 CFEDMN N#Cc1ccc([C@H](NCCCC2CCCC2)C(N)=O)cc1 ZINC000115596337 376143643 /nfs/dbraw/zinc/14/36/43/376143643.db2.gz BOCWRZSZOMABNL-INIZCTEOSA-N 0 1 285.391 2.645 20 30 CFEDMN C=CCCC(=O)NC[C@H](C)N1CCc2ccccc2C1 ZINC000263716229 190074834 /nfs/dbraw/zinc/07/48/34/190074834.db2.gz XDQSZDVNRQBDAB-AWEZNQCLSA-N 0 1 272.392 2.516 20 30 CFEDMN C=C1CCN(CCOc2cccc([N+](=O)[O-])c2)CC1 ZINC000264469614 190112095 /nfs/dbraw/zinc/11/20/95/190112095.db2.gz MYQWIWQWMWZPLR-UHFFFAOYSA-N 0 1 262.309 2.626 20 30 CFEDMN CC(C)N(Cc1ccno1)Cc1ccc(C#N)cc1 ZINC000264650131 190125842 /nfs/dbraw/zinc/12/58/42/190125842.db2.gz XUNSABIZTHJFHS-UHFFFAOYSA-N 0 1 255.321 2.957 20 30 CFEDMN C=CCCCCCN(C)Cc1nc(CC)cc(=O)[nH]1 ZINC000121403047 376822814 /nfs/dbraw/zinc/82/28/14/376822814.db2.gz AUYCVABQIRWNSP-UHFFFAOYSA-N 0 1 263.385 2.923 20 30 CFEDMN C=CCN(C)[C@@H](C)C(=O)N(Cc1ccccc1)C(C)C ZINC000121451592 376835381 /nfs/dbraw/zinc/83/53/81/376835381.db2.gz AVCFIGSOCZKKNQ-HNNXBMFYSA-N 0 1 274.408 2.930 20 30 CFEDMN N#CCC(=O)N[C@@H](c1ccccc1)c1ccc2nc[nH]c2c1 ZINC000121948630 376920256 /nfs/dbraw/zinc/92/02/56/376920256.db2.gz IBHGMSJANKIXMA-KRWDZBQOSA-N 0 1 290.326 2.682 20 30 CFEDMN C#CCN1CCC(C(=O)N(CCCC)[C@H](C)CC)CC1 ZINC000122435024 376930204 /nfs/dbraw/zinc/93/02/04/376930204.db2.gz BMVBVDMHDNXMRN-OAHLLOKOSA-N 0 1 278.440 2.759 20 30 CFEDMN C=C[C@@H](CC(=O)N[C@H](CCC)c1nn[nH]n1)c1ccccc1 ZINC000122724673 376937237 /nfs/dbraw/zinc/93/72/37/376937237.db2.gz VSYQSHIKPCUVAR-GXTWGEPZSA-N 0 1 299.378 2.517 20 30 CFEDMN CC(C)Oc1ccc(C#N)cc1NC(=O)CN(C)C(C)C ZINC000126616686 377239330 /nfs/dbraw/zinc/23/93/30/377239330.db2.gz ITCLWQRJVOJAPL-UHFFFAOYSA-N 0 1 289.379 2.624 20 30 CFEDMN C=C(C)CN(CC)[C@@H](C)C(=O)NCc1cccc(OC)c1 ZINC000125936018 377202420 /nfs/dbraw/zinc/20/24/20/377202420.db2.gz XQTOLLHODFJBOI-AWEZNQCLSA-N 0 1 290.407 2.598 20 30 CFEDMN COCCCOC1CCN(Cc2ccc(C#N)s2)CC1 ZINC000129113196 377385436 /nfs/dbraw/zinc/38/54/36/377385436.db2.gz ZQYIHBYIFPPNQK-UHFFFAOYSA-N 0 1 294.420 2.637 20 30 CFEDMN C=CCC[C@@H](O)CN1CC[N@@H+](Cc2ccccc2)C[C@@H]1C ZINC000129654718 377456567 /nfs/dbraw/zinc/45/65/67/377456567.db2.gz LWVJYJVHOOKYCZ-FUHWJXTLSA-N 0 1 288.435 2.520 20 30 CFEDMN N#Cc1cc(C(=O)C(C#N)c2ccc3ccccc3n2)c[nH]1 ZINC000679369655 542181768 /nfs/dbraw/zinc/18/17/68/542181768.db2.gz XBLHHTBQYIPXLI-CQSZACIVSA-N 0 1 286.294 2.925 20 30 CFEDMN C=CCN(CC=C)CCc1nc2ccccc2n1C ZINC000265462266 190183997 /nfs/dbraw/zinc/18/39/97/190183997.db2.gz AIGKNCALWPIBCR-UHFFFAOYSA-N 0 1 255.365 2.790 20 30 CFEDMN C[C@H]1C[C@@H](Nc2ncc(C#N)cc2Cl)CN1C1CC1 ZINC000133514075 377935846 /nfs/dbraw/zinc/93/58/46/377935846.db2.gz WPHBHQLMPKZEJY-GXSJLCMTSA-N 0 1 276.771 2.644 20 30 CFEDMN CC#CCN(CCCO)Cc1cccc(Cl)c1 ZINC000134296480 377998919 /nfs/dbraw/zinc/99/89/19/377998919.db2.gz TWSIVBRAXBIHPS-UHFFFAOYSA-N 0 1 251.757 2.548 20 30 CFEDMN CC(C)OC(=O)c1ccc(CN2CCC(C#N)CC2)cc1 ZINC000135011731 378073756 /nfs/dbraw/zinc/07/37/56/378073756.db2.gz LOILTQTXYGZDLK-UHFFFAOYSA-N 0 1 286.375 2.987 20 30 CFEDMN C=CCC[C@@H](O)CN[C@H](CF)c1ccc(F)cc1 ZINC000640152757 383726417 /nfs/dbraw/zinc/72/64/17/383726417.db2.gz HLCHFRWSUJMMBX-ZIAGYGMSSA-N 0 1 255.308 2.753 20 30 CFEDMN CN(Cc1ccc(C#N)cc1)[C@H]1CCCc2c1cnn2C ZINC000135610085 378149386 /nfs/dbraw/zinc/14/93/86/378149386.db2.gz UEDBWPJWMIELHB-INIZCTEOSA-N 0 1 280.375 2.801 20 30 CFEDMN N#Cc1ccc(CNCc2ccc3c(c2)OCCO3)s1 ZINC000135669423 378155226 /nfs/dbraw/zinc/15/52/26/378155226.db2.gz GZBNQPAQJRAFGH-UHFFFAOYSA-N 0 1 286.356 2.681 20 30 CFEDMN Cc1c([C@@H](C)NCc2ccc(C#N)s2)cnn1C ZINC000135679095 378156155 /nfs/dbraw/zinc/15/61/55/378156155.db2.gz DVEUMRUHWHDUQD-SECBINFHSA-N 0 1 260.366 2.513 20 30 CFEDMN C#CCN(CC#C)CCCC(=O)Nc1c(C)cc(C)cc1C ZINC000137781807 378228031 /nfs/dbraw/zinc/22/80/31/378228031.db2.gz ADIFTPLZNHMNKM-UHFFFAOYSA-N 0 1 296.414 2.899 20 30 CFEDMN O=C(N[C@H](CO)CC1CCCC1)[C@@H]1CCCN1C1CC1 ZINC000328706792 378416156 /nfs/dbraw/zinc/41/61/56/378416156.db2.gz ZFZPIPJGUAIODU-ZFWWWQNUSA-N 0 1 280.412 2.511 20 30 CFEDMN CC1CCC(OCC(=O)NC2(c3nnc[nH]3)CCC2)CC1 ZINC000329361515 378457414 /nfs/dbraw/zinc/45/74/14/378457414.db2.gz YQUAOYALMSHZHM-UHFFFAOYSA-N 0 1 292.383 2.736 20 30 CFEDMN CCC[C@@H]1C[C@@H]1NC(=O)N1CC[C@H](n2cc(Cl)cn2)C1 ZINC000329611854 378469433 /nfs/dbraw/zinc/46/94/33/378469433.db2.gz OFOXJYDFGIDTAD-WXHSDQCUSA-N 0 1 296.802 2.886 20 30 CFEDMN Cc1ncc(NC(=O)[C@H]2CCCN2C2CCOCC2)s1 ZINC000328824513 378429038 /nfs/dbraw/zinc/42/90/38/378429038.db2.gz PRRCWCSYDYUGDG-GFCCVEGCSA-N 0 1 295.408 2.683 20 30 CFEDMN COc1ccc(C#N)cc1CSc1nc(C2CC2)n[nH]1 ZINC000152724612 378440641 /nfs/dbraw/zinc/44/06/41/378440641.db2.gz RPUTXCXJIODANR-UHFFFAOYSA-N 0 1 286.360 2.855 20 30 CFEDMN COc1ccc(C#N)cc1CSc1n[nH]c(C2CC2)n1 ZINC000152724612 378440648 /nfs/dbraw/zinc/44/06/48/378440648.db2.gz RPUTXCXJIODANR-UHFFFAOYSA-N 0 1 286.360 2.855 20 30 CFEDMN Cc1n[nH]c(C(F)F)c1NC(=O)[C@H]1C[C@]12CCOC2 ZINC000329662017 378475950 /nfs/dbraw/zinc/47/59/50/378475950.db2.gz OQYAFGUVDYUSMM-KRTXAFLBSA-N 0 1 271.267 2.670 20 30 CFEDMN Cc1nc(C)c(C(=O)N[C@@H]2CCN(Cc3ccccc3)C2)o1 ZINC000329682208 378480990 /nfs/dbraw/zinc/48/09/90/378480990.db2.gz XFUOVINXCULDBW-OAHLLOKOSA-N 0 1 299.374 2.871 20 30 CFEDMN C[C@@H]1CN(C(=O)N[C@@H]2CCc3nc[nH]c3C2)CC(C)(C)C1 ZINC000329709979 378486055 /nfs/dbraw/zinc/48/60/55/378486055.db2.gz LXUUQLUVNLRXNE-NWDGAFQWSA-N 0 1 290.411 2.549 20 30 CFEDMN Cc1csc(C(C#N)C(=O)c2cnc(C)nc2C2CC2)n1 ZINC000329807301 378499091 /nfs/dbraw/zinc/49/90/91/378499091.db2.gz AALPJYQKOHQKEZ-NSHDSACASA-N 0 1 298.371 2.917 20 30 CFEDMN CCCn1cc(C(=O)NC[C@H]2CCCC[N@H+]2C2CC2)cn1 ZINC000329944702 378515855 /nfs/dbraw/zinc/51/58/55/378515855.db2.gz IOZJFYPZMCWAEY-OAHLLOKOSA-N 0 1 290.411 2.615 20 30 CFEDMN C[C@H](NCC(=O)NC1CCC(C)CC1)c1ccc(C#N)cc1 ZINC000330439563 378556465 /nfs/dbraw/zinc/55/64/65/378556465.db2.gz OYQAPUPZRYUXKO-UUCFBXCCSA-N 0 1 299.418 2.904 20 30 CFEDMN N#Cc1c[nH]c(C(=O)Nc2[nH]nc3c2cccc3Cl)c1 ZINC000154393578 378563114 /nfs/dbraw/zinc/56/31/14/378563114.db2.gz GSNDOBIPHKDNFV-UHFFFAOYSA-N 0 1 285.694 2.668 20 30 CFEDMN C[C@@H]1CC[C@H](C)N1CC(=O)Nc1ccc(F)c(C#N)c1 ZINC000330993406 378612263 /nfs/dbraw/zinc/61/22/63/378612263.db2.gz ZCDILINKNZWFFR-PHIMTYICSA-N 0 1 275.327 2.509 20 30 CFEDMN CCOC(=O)CC1CCN(Cc2ccc(C#N)s2)CC1 ZINC000159091926 378685760 /nfs/dbraw/zinc/68/57/60/378685760.db2.gz ZFWAZQMHHPXJKZ-UHFFFAOYSA-N 0 1 292.404 2.785 20 30 CFEDMN C=CC[C@@H]1CCCC[C@H]1NC(=O)[C@@H]1C[C@H]1c1cnc[nH]1 ZINC000636156092 383730634 /nfs/dbraw/zinc/73/06/34/383730634.db2.gz IQNDANBFAAKXEX-AAVRWANBSA-N 0 1 273.380 2.764 20 30 CFEDMN C=CCOc1ccc(CN2CCC(C(=O)OC)CC2)cc1 ZINC000159179073 378690043 /nfs/dbraw/zinc/69/00/43/378690043.db2.gz WIVCKXFJYMLYTL-UHFFFAOYSA-N 0 1 289.375 2.636 20 30 CFEDMN N#CCCCCN1CCO[C@]2(CCc3ccccc32)C1 ZINC000159443208 378710572 /nfs/dbraw/zinc/71/05/72/378710572.db2.gz CUZAXRVANFGVOL-QGZVFWFLSA-N 0 1 270.376 2.854 20 30 CFEDMN C[C@@H]1CCC[C@](C#N)(NC(=O)c2cccc3nc[nH]c32)C1 ZINC000159578652 378719129 /nfs/dbraw/zinc/71/91/29/378719129.db2.gz IURPDDZKGBDQJR-BZNIZROVSA-N 0 1 282.347 2.765 20 30 CFEDMN N#C[C@@H](NC(=O)c1cccc2nc[nH]c21)C1CCCCC1 ZINC000159803080 378730290 /nfs/dbraw/zinc/73/02/90/378730290.db2.gz DLLLKHPQULABGY-CQSZACIVSA-N 0 1 282.347 2.765 20 30 CFEDMN CC1(C)CC[C@H]1N[C@@H](C(N)=O)c1ccc(C#N)cc1 ZINC000332450549 378764842 /nfs/dbraw/zinc/76/48/42/378764842.db2.gz MGIQLBWBLNCJCU-CHWSQXEVSA-N 0 1 257.337 2.913 20 30 CFEDMN C[C@@H](NC[C@H](C#N)CCC#N)c1ccccc1-n1cccn1 ZINC000160842646 378804510 /nfs/dbraw/zinc/80/45/10/378804510.db2.gz DYFQMLARANCENQ-CABCVRRESA-N 0 1 293.374 2.966 20 30 CFEDMN C[C@H](NCc1ccc(C#N)o1)c1ccc2c(c1)CCC(=O)N2 ZINC000266227337 190241338 /nfs/dbraw/zinc/24/13/38/190241338.db2.gz SVSGZLMDTMRTIZ-NSHDSACASA-N 0 1 295.342 2.887 20 30 CFEDMN Cc1cc(CN[C@@H]2CCCc3cc(C#N)ccc32)n(C)n1 ZINC000334237159 378963713 /nfs/dbraw/zinc/96/37/13/378963713.db2.gz IJAURLBWKAOORP-QGZVFWFLSA-N 0 1 280.375 2.767 20 30 CFEDMN CC(C)n1cc(C#N)c(=NC(=O)[C@@H]2CCCC(F)(F)C2)[nH]1 ZINC000334266926 379003738 /nfs/dbraw/zinc/00/37/38/379003738.db2.gz ZLSXIUBATQELMG-SNVBAGLBSA-N 0 1 296.321 2.522 20 30 CFEDMN CC(C)(C)[C@@H]1CCN(Cc2cc(C#N)cs2)C[C@@H]1O ZINC000334315475 379081417 /nfs/dbraw/zinc/08/14/17/379081417.db2.gz QWEWEZSLCBRVLM-KGLIPLIRSA-N 0 1 278.421 2.849 20 30 CFEDMN C=CCC1(C(=O)N2CC[C@]3(C2)CCC[N@H+](C)C3)CCC1 ZINC000334368497 379172106 /nfs/dbraw/zinc/17/21/06/379172106.db2.gz SMBSVWOOROGVTA-MRXNPFEDSA-N 0 1 276.424 2.677 20 30 CFEDMN CC1=C(C)C[C@@H](C(=O)N=c2[nH]n(C(C)C)cc2C#N)CC1 ZINC000335393649 379211407 /nfs/dbraw/zinc/21/14/07/379211407.db2.gz SBHLTWIXFCHVOB-ZDUSSCGKSA-N 0 1 286.379 2.833 20 30 CFEDMN C[C@H]1CCN(Cc2cccc(C#N)c2F)C[C@@H]1n1ccnc1 ZINC000334387241 379207561 /nfs/dbraw/zinc/20/75/61/379207561.db2.gz PFCROJGXSTZOFX-BBRMVZONSA-N 0 1 298.365 2.977 20 30 CFEDMN C[C@@H]1[C@H](C)N(C(=O)c2ccc(C(C)(C)C#N)cc2)CCN1C ZINC000335403863 379228559 /nfs/dbraw/zinc/22/85/59/379228559.db2.gz UAWKYCDYHCMIAT-KGLIPLIRSA-N 0 1 299.418 2.652 20 30 CFEDMN N#Cc1csc(CN2CCOCC3(CCC3)C2)c1 ZINC000334407407 379245953 /nfs/dbraw/zinc/24/59/53/379245953.db2.gz IJCSOWAERGPDBM-UHFFFAOYSA-N 0 1 262.378 2.622 20 30 CFEDMN CC[C@H]1C[C@@H](C)C[N@H+]1Cc1cnc2ccc(C#N)cn12 ZINC000334427983 379280114 /nfs/dbraw/zinc/28/01/14/379280114.db2.gz HQSPGWZHUXVIMT-OCCSQVGLSA-N 0 1 268.364 2.826 20 30 CFEDMN CC(C)CCN(CC(=O)Nc1nncs1)C1CC1 ZINC000048571969 412911690 /nfs/dbraw/zinc/91/16/90/412911690.db2.gz XSPZUCUIXPVHJZ-UHFFFAOYSA-N 0 1 268.386 2.637 20 30 CFEDMN CCCCN(CCOC)Cc1ccc(C#N)cc1F ZINC000171952313 379450619 /nfs/dbraw/zinc/45/06/19/379450619.db2.gz STZIUQXXNDWAFE-UHFFFAOYSA-N 0 1 264.344 2.946 20 30 CFEDMN C=CCCO[C@@H](C)C(=O)Nc1cccc(Cl)c1O ZINC000172111044 379497046 /nfs/dbraw/zinc/49/70/46/379497046.db2.gz XXDKDOYAWDWERS-VIFPVBQESA-N 0 1 269.728 2.965 20 30 CFEDMN C#CCN(CC)Cc1cccc(C(=O)N2CCCCC2)c1 ZINC000266890114 190287849 /nfs/dbraw/zinc/28/78/49/190287849.db2.gz CKLJRPLDFKXXNF-UHFFFAOYSA-N 0 1 284.403 2.768 20 30 CFEDMN C#CCN(CC)CCc1nc(-c2cccc(Cl)c2)no1 ZINC000266922740 190290458 /nfs/dbraw/zinc/29/04/58/190290458.db2.gz MKEWVWQAGVREDK-UHFFFAOYSA-N 0 1 289.766 2.888 20 30 CFEDMN N#Cc1ccc(CNCc2cccc(Cn3ccnc3)c2)o1 ZINC000174263505 379853643 /nfs/dbraw/zinc/85/36/43/379853643.db2.gz BOVVTAJWCOIASH-UHFFFAOYSA-N 0 1 292.342 2.686 20 30 CFEDMN Cc1cccc(C)c1OCCNCc1ccc(C#N)o1 ZINC000174293362 379858829 /nfs/dbraw/zinc/85/88/29/379858829.db2.gz GKTIZCBWLHAMIN-UHFFFAOYSA-N 0 1 270.332 2.937 20 30 CFEDMN Cc1cc(CN[C@H]2c3ccccc3C[C@H]2O)ccc1C#N ZINC000334766182 379910690 /nfs/dbraw/zinc/91/06/90/379910690.db2.gz XNIITAOVLRWZCT-MSOLQXFVSA-N 0 1 278.355 2.615 20 30 CFEDMN C=CCC1(NC(=O)[C@@H]2C[C@H]2c2cnc[nH]2)CCCC1 ZINC000636204251 383741450 /nfs/dbraw/zinc/74/14/50/383741450.db2.gz IGOAKSSPGRBVSL-VXGBXAGGSA-N 0 1 259.353 2.518 20 30 CFEDMN Cc1ccc2nc(CNC(=O)c3ccc(C#N)cc3)[nH]c2c1 ZINC000174877029 379955659 /nfs/dbraw/zinc/95/56/59/379955659.db2.gz FVAMZFAIJAGTAU-UHFFFAOYSA-N 0 1 290.326 2.673 20 30 CFEDMN N#Cc1ccc(F)cc1CN1CC[C@@H]([C@H]2CCOC2)C1 ZINC000335855518 380000752 /nfs/dbraw/zinc/00/07/52/380000752.db2.gz GMKHXAKXFFXQHB-KGLIPLIRSA-N 0 1 274.339 2.556 20 30 CFEDMN C=CCCCC(=O)NCCN1CCc2ccccc2C1 ZINC000175232437 380025849 /nfs/dbraw/zinc/02/58/49/380025849.db2.gz VDUSOOSAQBNVJM-UHFFFAOYSA-N 0 1 272.392 2.517 20 30 CFEDMN C=CCCCC(=O)NC[C@@H](C)N1CCc2ccccc2C1 ZINC000175248240 380028460 /nfs/dbraw/zinc/02/84/60/380028460.db2.gz NSROSQVPUZLWHV-OAHLLOKOSA-N 0 1 286.419 2.906 20 30 CFEDMN C=CCCCC(=O)NC1CCN(Cc2ccncc2)CC1 ZINC000175359970 380050882 /nfs/dbraw/zinc/05/08/82/380050882.db2.gz QDXOGNNCXNOBNA-UHFFFAOYSA-N 0 1 287.407 2.519 20 30 CFEDMN C=CCCCN1CCOC[C@@H]1C[C@@H](O)c1cccs1 ZINC000267904948 190361873 /nfs/dbraw/zinc/36/18/73/190361873.db2.gz KMWRPNVHVBKVJH-UONOGXRCSA-N 0 1 281.421 2.839 20 30 CFEDMN C#Cc1cccc(N(CC)C(=O)[C@@H]2CCCc3[nH]ncc32)c1 ZINC000268128173 190378618 /nfs/dbraw/zinc/37/86/18/190378618.db2.gz DSWITHZSXYZPNB-OAHLLOKOSA-N 0 1 293.370 2.864 20 30 CFEDMN CN(C)Cc1ccsc1C(=O)NCc1ccc(C#N)cc1 ZINC000268129956 190379593 /nfs/dbraw/zinc/37/95/93/190379593.db2.gz OUTOONSMUCEKKV-UHFFFAOYSA-N 0 1 299.399 2.611 20 30 CFEDMN C[C@H]1C[C@@H](O)CCN1CC#Cc1ccc(Cl)cc1 ZINC000336123787 380270487 /nfs/dbraw/zinc/27/04/87/380270487.db2.gz IFCNFXHXEBDMHO-WFASDCNBSA-N 0 1 263.768 2.537 20 30 CFEDMN C[C@@H]1C[C@]1(C#N)C(=O)Nc1cc(F)cc(Cl)c1O ZINC000336265223 380302193 /nfs/dbraw/zinc/30/21/93/380302193.db2.gz AEUPROZOWYMTSY-SREIQFSDSA-N 0 1 268.675 2.673 20 30 CFEDMN C=CCCCNCc1csc(N(C(C)=O)C2CC2)n1 ZINC000279058847 194266211 /nfs/dbraw/zinc/26/62/11/194266211.db2.gz FBHDKLOIBWLJMA-UHFFFAOYSA-N 0 1 279.409 2.714 20 30 CFEDMN C[C@@H]1C[C@]1(C#N)C(=O)Nc1cc(Cl)c(O)cc1F ZINC000336290490 380310254 /nfs/dbraw/zinc/31/02/54/380310254.db2.gz LQRPLQMVHSTRCO-SREIQFSDSA-N 0 1 268.675 2.673 20 30 CFEDMN N#C[C@H](NC(=O)c1c(O)cccc1F)c1ccc(F)cc1 ZINC000336510899 380387325 /nfs/dbraw/zinc/38/73/25/380387325.db2.gz VNQSGJQYHPFAIZ-LBPRGKRZSA-N 0 1 288.253 2.665 20 30 CFEDMN N#Cc1ccc(F)cc1CN1CCC[C@H]([C@H]2CCOC2)C1 ZINC000336530490 380422057 /nfs/dbraw/zinc/42/20/57/380422057.db2.gz SNHNNYRCCNEYBZ-GJZGRUSLSA-N 0 1 288.366 2.946 20 30 CFEDMN COC(=O)C[C@@H]1CCCN1CC#Cc1ccc(Cl)cc1 ZINC000179150353 380515983 /nfs/dbraw/zinc/51/59/83/380515983.db2.gz RUGCZDMELIQORC-HNNXBMFYSA-N 0 1 291.778 2.719 20 30 CFEDMN CC(C)Cn1cc(/C=C/C(=O)c2ccc(O)cc2O)cn1 ZINC000180741888 380695174 /nfs/dbraw/zinc/69/51/74/380695174.db2.gz ILDNKYJRINPBDT-ZZXKWVIFSA-N 0 1 286.331 2.846 20 30 CFEDMN C=CCN1C(=O)N=NC1SCCc1ccccc1F ZINC000432718651 383748781 /nfs/dbraw/zinc/74/87/81/383748781.db2.gz KXHZJZUDIKYEBQ-UHFFFAOYSA-N 0 1 279.340 2.644 20 30 CFEDMN C=CCC[C@H](NCC1(S(C)(=O)=O)CCC1)c1ccco1 ZINC000287440234 380833605 /nfs/dbraw/zinc/83/36/05/380833605.db2.gz KZGXXCQWWFFMPP-ZDUSSCGKSA-N 0 1 297.420 2.844 20 30 CFEDMN CCCn1cc(CNC2(c3cccc(C#N)c3)CC2)cn1 ZINC000341213484 380835313 /nfs/dbraw/zinc/83/53/13/380835313.db2.gz NUHREORMFDNNEF-UHFFFAOYSA-N 0 1 280.375 2.944 20 30 CFEDMN N#Cc1ccc(CN2CC[C@H](O)c3ccccc3C2)cc1 ZINC000367935600 380858817 /nfs/dbraw/zinc/85/88/17/380858817.db2.gz XAPQOXRPSNKMOZ-SFHVURJKSA-N 0 1 278.355 2.998 20 30 CFEDMN Cn1ccnc1CN[C@@H](CCCC#N)c1ccccc1 ZINC000353916911 380953573 /nfs/dbraw/zinc/95/35/73/380953573.db2.gz RTXHCUNGTGQSOI-HNNXBMFYSA-N 0 1 268.364 2.945 20 30 CFEDMN C[C@H](NCC(=O)Nc1ccc(F)cc1)c1cccc(C#N)c1 ZINC000181990111 380957541 /nfs/dbraw/zinc/95/75/41/380957541.db2.gz NBYBVVNQOYXINF-LBPRGKRZSA-N 0 1 297.333 2.987 20 30 CFEDMN Cc1[nH]nc(NC(=O)c2ccc(C(C)C)cc2O)c1C#N ZINC000287862291 380958805 /nfs/dbraw/zinc/95/88/05/380958805.db2.gz FMWOUDUQDZEMDC-UHFFFAOYSA-N 0 1 284.319 2.671 20 30 CFEDMN C=C(CC)CN1CCCN(C(=O)c2cccc(F)c2)CC1 ZINC000358622043 380975283 /nfs/dbraw/zinc/97/52/83/380975283.db2.gz DINNCYPFCOOKBU-UHFFFAOYSA-N 0 1 290.382 2.940 20 30 CFEDMN CCc1nc([C@H](C)N[C@H](C)c2ccc(C#N)cc2F)n[nH]1 ZINC000358571147 380939530 /nfs/dbraw/zinc/93/95/30/380939530.db2.gz OFQIKVJLXGPSGU-ZJUUUORDSA-N 0 1 287.342 2.790 20 30 CFEDMN C=CCN(CCC1(O)CCC1)Cc1cccc([N+](=O)[O-])c1 ZINC000411193063 381015271 /nfs/dbraw/zinc/01/52/71/381015271.db2.gz NIPINXDPLNLNQH-UHFFFAOYSA-N 0 1 290.363 2.888 20 30 CFEDMN C=CCN(Cc1cccc(C#N)c1)[C@@H](C)c1n[nH]c(C)n1 ZINC000411195977 381015513 /nfs/dbraw/zinc/01/55/13/381015513.db2.gz UFNUUXLZZZNMAJ-LBPRGKRZSA-N 0 1 281.363 2.734 20 30 CFEDMN C=CCN(Cc1cccc([N+](=O)[O-])c1)[C@H](C)COC ZINC000411192845 381015977 /nfs/dbraw/zinc/01/59/77/381015977.db2.gz MVDCLXJYVNBCAC-GFCCVEGCSA-N 0 1 264.325 2.618 20 30 CFEDMN C[C@H]1C[C@@H](CO)CC[N@H+]1CC#Cc1cccc(Cl)c1 ZINC000288748422 381021368 /nfs/dbraw/zinc/02/13/68/381021368.db2.gz GGAJFXKXOZXZAS-ZFWWWQNUSA-N 0 1 277.795 2.784 20 30 CFEDMN C[C@H]1C[C@@H](CO)CCN1CC#Cc1cccc(Cl)c1 ZINC000288748422 381021370 /nfs/dbraw/zinc/02/13/70/381021370.db2.gz GGAJFXKXOZXZAS-ZFWWWQNUSA-N 0 1 277.795 2.784 20 30 CFEDMN C=C[C@H](CC(=O)N1C[C@@H](C)N(C)[C@H](C)C1)c1ccccc1 ZINC000358704365 381023859 /nfs/dbraw/zinc/02/38/59/381023859.db2.gz HRNDPVWZOQGPOY-BZUAXINKSA-N 0 1 286.419 2.897 20 30 CFEDMN CCOC(=O)[C@H]1CN([C@H](C)CCC#N)Cc2ccccc21 ZINC000411396675 381027248 /nfs/dbraw/zinc/02/72/48/381027248.db2.gz GDSCBRLXYCQZHN-CJNGLKHVSA-N 0 1 286.375 2.841 20 30 CFEDMN C=CCNC(=O)CN[C@H](C)c1ccc(SCC)cc1 ZINC000182121497 380997063 /nfs/dbraw/zinc/99/70/63/380997063.db2.gz NOCAPQCMMSTEOJ-GFCCVEGCSA-N 0 1 278.421 2.751 20 30 CFEDMN COCC1(C)CCN(Cc2cc(C#N)ccc2F)CC1 ZINC000358753363 381058086 /nfs/dbraw/zinc/05/80/86/381058086.db2.gz RNNJBJQQRLMHKU-UHFFFAOYSA-N 0 1 276.355 2.946 20 30 CFEDMN C#C[C@@H](C)NCc1cc(Cl)c(OC)c(OCC)c1 ZINC000289644577 381082645 /nfs/dbraw/zinc/08/26/45/381082645.db2.gz XVCHFUAWFSZPIH-SNVBAGLBSA-N 0 1 267.756 2.859 20 30 CFEDMN C=CC1CCN(C(=O)c2c[nH]c3ccc(C)cc3c2=O)CC1 ZINC000341581879 381100687 /nfs/dbraw/zinc/10/06/87/381100687.db2.gz DZDGSMDCCQUCIY-UHFFFAOYSA-N 0 1 296.370 2.875 20 30 CFEDMN C=C[C@H](CO)N[C@H](CC)c1ccccc1OC(F)F ZINC000289703321 381110212 /nfs/dbraw/zinc/11/02/12/381110212.db2.gz ITLIKGTXSYEJID-ZYHUDNBSSA-N 0 1 271.307 2.876 20 30 CFEDMN C=C[C@@H](CO)N[C@@H](CC)c1ccccc1OC(F)F ZINC000289703311 381111365 /nfs/dbraw/zinc/11/13/65/381111365.db2.gz ITLIKGTXSYEJID-JQWIXIFHSA-N 0 1 271.307 2.876 20 30 CFEDMN C=C[C@H](CO)N[C@H](C)c1cc(Cl)ccc1OC ZINC000289630063 381077409 /nfs/dbraw/zinc/07/74/09/381077409.db2.gz FCKUONDZZZIDEC-MWLCHTKSSA-N 0 1 255.745 2.546 20 30 CFEDMN C[C@@H]1C[C@@H](C)N(CC(=O)N(CCC#N)c2ccccc2)C1 ZINC000354204555 381138819 /nfs/dbraw/zinc/13/88/19/381138819.db2.gz FOUCSPVUYLMDOZ-HUUCEWRRSA-N 0 1 285.391 2.664 20 30 CFEDMN CCN(CCC#N)C(=O)CN[C@@H](C)c1cc(C)sc1C ZINC000182763598 381151725 /nfs/dbraw/zinc/15/17/25/381151725.db2.gz JMCSODHRNAYGNG-LBPRGKRZSA-N 0 1 293.436 2.778 20 30 CFEDMN N#Cc1cc(Cl)ccc1CN[C@@H]1CCO[C@H]1C1CC1 ZINC000368904629 381160046 /nfs/dbraw/zinc/16/00/46/381160046.db2.gz LHFLRFHIUIEABF-CABCVRRESA-N 0 1 276.767 2.869 20 30 CFEDMN C=CC[C@@H]1N(C(=O)[C@@H]2CCCN2C)CCCC1(C)C ZINC000347474300 381174859 /nfs/dbraw/zinc/17/48/59/381174859.db2.gz VRRGIMDTVZITIU-KBPBESRZSA-N 0 1 264.413 2.674 20 30 CFEDMN CC1(C)CN(Cc2cccc(C#N)c2)[C@H]1[C@@H]1CCCO1 ZINC000289922798 381218571 /nfs/dbraw/zinc/21/85/71/381218571.db2.gz UTGXEEIZHJBHEE-HOTGVXAUSA-N 0 1 270.376 2.948 20 30 CFEDMN CC(C)c1nc([C@H]2CCCCN2c2ncccc2C#N)n[nH]1 ZINC000289901176 381209565 /nfs/dbraw/zinc/20/95/65/381209565.db2.gz XOJLJLBQUZGQNT-CYBMUJFWSA-N 0 1 296.378 2.926 20 30 CFEDMN Cc1nnc([C@H]2CC23CCN(Cc2ccc(C#N)o2)CC3)o1 ZINC000369416569 381253410 /nfs/dbraw/zinc/25/34/10/381253410.db2.gz HKOFJJOABOZBCU-CQSZACIVSA-N 0 1 298.346 2.612 20 30 CFEDMN Cc1ccn(C2CCN(Cc3ccc(C#N)s3)CC2)n1 ZINC000369291343 381228761 /nfs/dbraw/zinc/22/87/61/381228761.db2.gz YOAXIFNRKMQQTP-UHFFFAOYSA-N 0 1 286.404 2.962 20 30 CFEDMN C#C[C@H](NCc1cc(OC)c(OC)cc1OC)C(C)(C)C ZINC000290213924 381344458 /nfs/dbraw/zinc/34/44/58/381344458.db2.gz QWOBOMMACFHMFB-INIZCTEOSA-N 0 1 291.391 2.850 20 30 CFEDMN C=CCOCCCN1CCO[C@@]2(CCc3ccccc32)C1 ZINC000348057950 381458479 /nfs/dbraw/zinc/45/84/79/381458479.db2.gz VAUJGKSJSGMQRQ-SFHVURJKSA-N 0 1 287.403 2.753 20 30 CFEDMN Cc1nc([C@H](C)Sc2nc(C)cc(C)c2C#N)n[nH]1 ZINC000412973697 381511659 /nfs/dbraw/zinc/51/16/59/381511659.db2.gz ASTNSGQMRFTQHY-VIFPVBQESA-N 0 1 273.365 2.850 20 30 CFEDMN Cn1cc(CNCc2ccnc(OC3CCC3)c2)cc1C#N ZINC000359701784 381567532 /nfs/dbraw/zinc/56/75/32/381567532.db2.gz UIWDVKQENBQFQU-UHFFFAOYSA-N 0 1 296.374 2.513 20 30 CFEDMN Cc1nc(N[C@@H]2CCN(C(C)C)C2)c(Cl)cc1C#N ZINC000290974997 381617651 /nfs/dbraw/zinc/61/76/51/381617651.db2.gz PFLBSYZMADJAHP-GFCCVEGCSA-N 0 1 278.787 2.810 20 30 CFEDMN C=CCNC(=O)[C@H](C)N[C@H](C)c1ccccc1OC(F)F ZINC000298489017 381648346 /nfs/dbraw/zinc/64/83/46/381648346.db2.gz IFIHNCRWDCUJDW-MNOVXSKESA-N 0 1 298.333 2.629 20 30 CFEDMN CC[N@@H+](CC(=O)NCc1ccc(C#N)cc1)C1CCCCC1 ZINC000298494662 381649420 /nfs/dbraw/zinc/64/94/20/381649420.db2.gz YSZMANYLFKAFFV-UHFFFAOYSA-N 0 1 299.418 2.829 20 30 CFEDMN C=C(C)COCCNCc1nc2ccc(Cl)cc2n1C ZINC000343189889 381665679 /nfs/dbraw/zinc/66/56/79/381665679.db2.gz NDBWTTPVFFWXCJ-UHFFFAOYSA-N 0 1 293.798 2.909 20 30 CFEDMN CCN1CCN(c2ccc(C(F)(F)F)c(C#N)n2)[C@@H](C)C1 ZINC000343276218 381672870 /nfs/dbraw/zinc/67/28/70/381672870.db2.gz UXDACCIRSCBKNG-JTQLQIEISA-N 0 1 298.312 2.502 20 30 CFEDMN CCN(CC(=O)N(Cc1ccc(C#N)cc1)C(C)C)C1CC1 ZINC000298496789 381651417 /nfs/dbraw/zinc/65/14/17/381651417.db2.gz ZGOJBUUSTNWKSJ-UHFFFAOYSA-N 0 1 299.418 2.780 20 30 CFEDMN CC(C)(C)C(=O)N1CCN(CCCCC#N)C(C)(C)C1 ZINC000343435812 381709122 /nfs/dbraw/zinc/70/91/22/381709122.db2.gz YDCGAOOMRQSMSZ-UHFFFAOYSA-N 0 1 279.428 2.649 20 30 CFEDMN C=C(C)CN(CC)[C@@H](C)C(=O)Nc1ccc2c(c1)OCO2 ZINC000298690922 381714211 /nfs/dbraw/zinc/71/42/11/381714211.db2.gz YVJLPLRIDQPNGJ-LBPRGKRZSA-N 0 1 290.363 2.640 20 30 CFEDMN C=CCOc1cccc(CN2CCC(F)(F)[C@H](CO)C2)c1 ZINC000291167943 381692813 /nfs/dbraw/zinc/69/28/13/381692813.db2.gz DGEMHTLZZFEGEN-AWEZNQCLSA-N 0 1 297.345 2.701 20 30 CFEDMN C=CC[C@@H](CO)N[C@@H](C)c1nc(C(F)(F)F)cs1 ZINC000343470723 381734807 /nfs/dbraw/zinc/73/48/07/381734807.db2.gz XRBUFDNRUAEEDB-YUMQZZPRSA-N 0 1 280.315 2.750 20 30 CFEDMN CCN1C[C@@H](C)N(c2ncc(Cl)c(C)c2C#N)C[C@H]1C ZINC000343482327 381744847 /nfs/dbraw/zinc/74/48/47/381744847.db2.gz WDVYOFBWVHBZPJ-GHMZBOCLSA-N 0 1 292.814 2.834 20 30 CFEDMN C[C@@H]1[C@H](Nc2c(F)cc(C#N)cc2F)CCCN1C ZINC000343484579 381745511 /nfs/dbraw/zinc/74/55/11/381745511.db2.gz WFYIFILJYVSPIZ-NOZJJQNGSA-N 0 1 265.307 2.731 20 30 CFEDMN C#CCONC(=O)[C@H](c1cccc(Cl)c1)C(C)C ZINC000291342446 381754113 /nfs/dbraw/zinc/75/41/13/381754113.db2.gz WBYLCJPFXUILRY-ZDUSSCGKSA-N 0 1 265.740 2.761 20 30 CFEDMN C=C(CNC(=O)c1csc(=NC2CC2)[nH]1)c1ccccc1 ZINC000360211094 381770597 /nfs/dbraw/zinc/77/05/97/381770597.db2.gz AXRYJRDBNWBBCT-UHFFFAOYSA-N 0 1 299.399 2.583 20 30 CFEDMN CCN(CC#Cc1cccc(Cl)c1)[C@H]1CCOC1 ZINC000361593576 381848424 /nfs/dbraw/zinc/84/84/24/381848424.db2.gz ZUCSCSUAUSIBLR-HNNXBMFYSA-N 0 1 263.768 2.802 20 30 CFEDMN CC[C@H](C(=O)N[C@@H](C#N)C(C)C)N(C)Cc1ccccc1 ZINC000343637167 381860046 /nfs/dbraw/zinc/86/00/46/381860046.db2.gz XTEHUKMQJNGFQA-JKSUJKDBSA-N 0 1 287.407 2.561 20 30 CFEDMN C#CCCN(C)Cc1cc(Br)ccc1OC ZINC000299208728 381860302 /nfs/dbraw/zinc/86/03/02/381860302.db2.gz BBFGSAIJIWHYTB-UHFFFAOYSA-N 0 1 282.181 2.913 20 30 CFEDMN C=CCCC1(C(=O)N2C[C@@H](C)N(CC)C[C@@H]2C)CC1 ZINC000361827065 381865491 /nfs/dbraw/zinc/86/54/91/381865491.db2.gz BLJABCCAFWRVFE-KGLIPLIRSA-N 0 1 264.413 2.674 20 30 CFEDMN C[C@@H]1[C@H](C)N(C)CCN1c1nc(C(F)(F)F)ccc1C#N ZINC000356792117 381866526 /nfs/dbraw/zinc/86/65/26/381866526.db2.gz JHHGPXABPCMEKU-VHSXEESVSA-N 0 1 298.312 2.501 20 30 CFEDMN C=CCN1CC[C@H]2CCN(C(=O)OC(C)(C)C)[C@@H]2C1 ZINC000372990172 381904365 /nfs/dbraw/zinc/90/43/65/381904365.db2.gz NDEKYSQDTPCMOG-QWHCGFSZSA-N 0 1 266.385 2.504 20 30 CFEDMN C=CC[C@@H](CC)NC(=O)c1n[nH]nc1-c1ccccc1 ZINC000343765723 381931320 /nfs/dbraw/zinc/93/13/20/381931320.db2.gz ITNMBVIDXJEOSK-GFCCVEGCSA-N 0 1 270.336 2.556 20 30 CFEDMN CC[C@@H](C(=O)NCC1(C#N)CCC1)N(C)Cc1ccccc1 ZINC000416344832 381887909 /nfs/dbraw/zinc/88/79/09/381887909.db2.gz DTNLFERIIIXHKU-INIZCTEOSA-N 0 1 299.418 2.707 20 30 CFEDMN C#Cc1ccc(C[N@H+]2CCC[C@H](n3cccn3)C2)cc1 ZINC000373249510 381959956 /nfs/dbraw/zinc/95/99/56/381959956.db2.gz IVDACVSJNVAWHN-KRWDZBQOSA-N 0 1 265.360 2.702 20 30 CFEDMN CCC(CC)CN(CCC#N)C(=O)CN(CC)C1CC1 ZINC000343770323 381933835 /nfs/dbraw/zinc/93/38/35/381933835.db2.gz DAIHCRFCQZYIOX-UHFFFAOYSA-N 0 1 279.428 2.649 20 30 CFEDMN Cn1cc(CN2CCC[C@H]2CF)c(-c2ccc(C#N)cc2)n1 ZINC000293013943 381951911 /nfs/dbraw/zinc/95/19/11/381951911.db2.gz KAGPVTQZAHKASO-INIZCTEOSA-N 0 1 298.365 2.893 20 30 CFEDMN C=CCN(CC=C)C(=O)CN1C[C@@H](C)C[C@H]1c1cccnc1 ZINC000373412209 381998444 /nfs/dbraw/zinc/99/84/44/381998444.db2.gz JIXOJALIOKDVOR-RDJZCZTQSA-N 0 1 299.418 2.665 20 30 CFEDMN CCOC(=O)CC(C)(C)N(C)Cc1ccc(F)cc1C#N ZINC000343887492 382003996 /nfs/dbraw/zinc/00/39/96/382003996.db2.gz NQJGNQRGHAXVRT-UHFFFAOYSA-N 0 1 292.354 2.861 20 30 CFEDMN CN(CC#Cc1ccccc1)C[C@H](O)Cc1ccccc1 ZINC000293243291 382046318 /nfs/dbraw/zinc/04/63/18/382046318.db2.gz HUENUMXFRLXGRL-LJQANCHMSA-N 0 1 279.383 2.574 20 30 CFEDMN N#Cc1ccccc1CN1CC[C@](O)(c2ccc(F)cc2)C1 ZINC000375041403 382065377 /nfs/dbraw/zinc/06/53/77/382065377.db2.gz QBYYEARVDVWYCC-GOSISDBHSA-N 0 1 296.345 2.791 20 30 CFEDMN C=CCCCCCN(C)C(=O)NCc1cn[nH]c1C ZINC000343915343 382019429 /nfs/dbraw/zinc/01/94/29/382019429.db2.gz ZLAMWLCGAJAUES-UHFFFAOYSA-N 0 1 264.373 2.606 20 30 CFEDMN C=C(C)CN(CC)C(=O)CN(C)[C@H]1C[C@@](C)(OC)C1(C)C ZINC000362435054 382068119 /nfs/dbraw/zinc/06/81/19/382068119.db2.gz CCMKOPGUZIFEEU-WMLDXEAASA-N 0 1 296.455 2.546 20 30 CFEDMN CC[C@H](F)CN(C)CCOCc1ccc(C#N)cc1 ZINC000344078754 382113012 /nfs/dbraw/zinc/11/30/12/382113012.db2.gz ZAKQIECGFZZOJU-HNNXBMFYSA-N 0 1 264.344 2.755 20 30 CFEDMN C(#Cc1ccccc1)CN1CCCC[C@H]1Cn1cccn1 ZINC000375972612 382113692 /nfs/dbraw/zinc/11/36/92/382113692.db2.gz GGCLBTFOFKQKFV-SFHVURJKSA-N 0 1 279.387 2.789 20 30 CFEDMN CN(C)Cc1ccc(CNc2cccnc2C#N)cc1F ZINC000357460486 382181459 /nfs/dbraw/zinc/18/14/59/382181459.db2.gz QYPIZZBITUHTFK-UHFFFAOYSA-N 0 1 284.338 2.766 20 30 CFEDMN C=CCC(C)(C)CNC(=O)c1cccc2nc[nH]c21 ZINC000293768428 382270316 /nfs/dbraw/zinc/27/03/16/382270316.db2.gz MLUSMIXTYMUUGW-UHFFFAOYSA-N 0 1 257.337 2.895 20 30 CFEDMN C=CCOCCN1CCC[C@@H]1c1nc2ccccc2n1C ZINC000293775997 382273546 /nfs/dbraw/zinc/27/35/46/382273546.db2.gz LKCQAEUZFSWVAI-MRXNPFEDSA-N 0 1 285.391 2.913 20 30 CFEDMN C=CCOCCN1CCN(c2ccc3ccccc3n2)CC1 ZINC000293873152 382316888 /nfs/dbraw/zinc/31/68/88/382316888.db2.gz STRBSTUMFUVQCH-UHFFFAOYSA-N 0 1 297.402 2.559 20 30 CFEDMN CCCC[C@@H](C)[N@@H+](C)CC(=O)N(CC)C[C@H](C)C#N ZINC000352413668 382317972 /nfs/dbraw/zinc/31/79/72/382317972.db2.gz BGWLKPHZWVEZNA-ZIAGYGMSSA-N 0 1 267.417 2.505 20 30 CFEDMN C=CCC(CC=C)C(=O)N1C[C@H](C)N(CC)C[C@H]1C ZINC000345896576 382321155 /nfs/dbraw/zinc/32/11/55/382321155.db2.gz ADUHRGMILDZTMH-UONOGXRCSA-N 0 1 264.413 2.696 20 30 CFEDMN Cc1csc(C(C#N)=C([O-])c2ccc(C)c(C)[nH+]2)n1 ZINC000420240350 382336874 /nfs/dbraw/zinc/33/68/74/382336874.db2.gz UJKKOEJYRIBPEK-NSHDSACASA-N 0 1 271.345 2.953 20 30 CFEDMN C=C(C)CN(CC)C(=O)CN1CCSC[C@H]1C1CCC1 ZINC000419367421 382301119 /nfs/dbraw/zinc/30/11/19/382301119.db2.gz URYJJRMOEVWJNN-HNNXBMFYSA-N 0 1 296.480 2.629 20 30 CFEDMN Cc1csc(C(C#N)C(=O)c2c3ccccc3nn2C)n1 ZINC000357853948 382351919 /nfs/dbraw/zinc/35/19/19/382351919.db2.gz ZBCIEDWVDUFBGP-LLVKDONJSA-N 0 1 296.355 2.828 20 30 CFEDMN CC(C)[C@H]1CN(Cc2ccc(C#N)s2)CCCO1 ZINC000294128068 382426373 /nfs/dbraw/zinc/42/63/73/382426373.db2.gz UGIKXNLNKZMYLY-CQSZACIVSA-N 0 1 264.394 2.867 20 30 CFEDMN COC[C@]1(C)CCN(Cc2ccc(F)c(C#N)c2)C1 ZINC000294201070 382457110 /nfs/dbraw/zinc/45/71/10/382457110.db2.gz LVLHOCXYJUJYSY-OAHLLOKOSA-N 0 1 262.328 2.556 20 30 CFEDMN C[C@@H](NC(=O)C(C#N)c1nc2ccccc2s1)C1CC1 ZINC000358124708 382461147 /nfs/dbraw/zinc/46/11/47/382461147.db2.gz OQDIYFJQZZFRNY-MWLCHTKSSA-N 0 1 285.372 2.818 20 30 CFEDMN Cc1ccnc(N[C@@H]2CN(C)Cc3ccccc32)c1C#N ZINC000378652275 382502351 /nfs/dbraw/zinc/50/23/51/382502351.db2.gz PURLBQDBGFYOHZ-MRXNPFEDSA-N 0 1 278.359 2.860 20 30 CFEDMN Cc1nccc(NCCOc2ccc(C#N)cc2)c1Cl ZINC000353165760 382508113 /nfs/dbraw/zinc/50/81/13/382508113.db2.gz VAEBGOHZYDOABA-UHFFFAOYSA-N 0 1 287.750 2.828 20 30 CFEDMN C[C@H](NCCCC#N)c1ccc(-n2cncn2)cc1Cl ZINC000346787561 382511032 /nfs/dbraw/zinc/51/10/32/382511032.db2.gz FZRXPQQYCYDGPM-NSHDSACASA-N 0 1 289.770 2.875 20 30 CFEDMN C=CC[C@@H]1N(C(=O)[C@H]2C[C@H]2c2nc[nH]n2)CCCC1(C)C ZINC000366780527 382550005 /nfs/dbraw/zinc/55/00/05/382550005.db2.gz UJNVFWDVVZUUIH-AGIUHOORSA-N 0 1 288.395 2.502 20 30 CFEDMN CO[C@H]1C[N@@H+](Cc2cn3ccccc3c2C#N)CC[C@@H]1C ZINC000189261515 382576311 /nfs/dbraw/zinc/57/63/11/382576311.db2.gz WDLNHZWOMFUGPV-GUYCJALGSA-N 0 1 283.375 2.668 20 30 CFEDMN CO[C@H]1CN(Cc2cn3ccccc3c2C#N)CC[C@@H]1C ZINC000189261515 382576316 /nfs/dbraw/zinc/57/63/16/382576316.db2.gz WDLNHZWOMFUGPV-GUYCJALGSA-N 0 1 283.375 2.668 20 30 CFEDMN C#CCOc1ccc(CNCc2cnn(C(C)(C)C)c2)cc1 ZINC000295058740 382571722 /nfs/dbraw/zinc/57/17/22/382571722.db2.gz QBEWAQHMBSXTSY-UHFFFAOYSA-N 0 1 297.402 2.940 20 30 CFEDMN CC(C)n1cc(C#N)c(=NC(=O)c2ccc([C@H]3C[C@@H]3C)o2)[nH]1 ZINC000366639502 382537208 /nfs/dbraw/zinc/53/72/08/382537208.db2.gz TVAOEFQDCJMYLM-JQWIXIFHSA-N 0 1 298.346 2.726 20 30 CFEDMN C=CCN(Cc1cccs1)C(=O)c1ccc2[nH]nnc2c1 ZINC000346951085 382583895 /nfs/dbraw/zinc/58/38/95/382583895.db2.gz WOXYTUHPHSPBGQ-UHFFFAOYSA-N 0 1 298.371 2.848 20 30 CFEDMN CC1(C)CN(CCOc2ccccc2C#N)CC(C)(C)O1 ZINC000189648583 382632317 /nfs/dbraw/zinc/63/23/17/382632317.db2.gz NYHSMMRCZMXYBW-UHFFFAOYSA-N 0 1 288.391 2.826 20 30 CFEDMN CC1(C)C[C@@H](O)CCN(Cc2ccc(C#N)cc2F)C1 ZINC000295208451 382585280 /nfs/dbraw/zinc/58/52/80/382585280.db2.gz LCXPMDVEUBKHMK-AWEZNQCLSA-N 0 1 276.355 2.680 20 30 CFEDMN N#Cc1ccc2c(c1)[C@H](NCc1cnn3ccccc13)CC2 ZINC000353657934 382597720 /nfs/dbraw/zinc/59/77/20/382597720.db2.gz JWHCNIBLOZEGOL-QGZVFWFLSA-N 0 1 288.354 2.983 20 30 CFEDMN C=CC(C)(C)C(=O)NCc1nc2ccc(C)cc2[nH]1 ZINC000295245955 382598372 /nfs/dbraw/zinc/59/83/72/382598372.db2.gz JOYIFXGWPZNNHP-UHFFFAOYSA-N 0 1 257.337 2.700 20 30 CFEDMN C[C@@H]1CSCCN(Cc2ccc(C#N)cc2F)C1 ZINC000190480398 382670426 /nfs/dbraw/zinc/67/04/26/382670426.db2.gz SCUSPBMXOLFAAQ-NSHDSACASA-N 0 1 264.369 2.882 20 30 CFEDMN Cn1cc(CN[C@H](c2ccccc2)[C@@H]2CCCO2)cc1C#N ZINC000190900357 382684410 /nfs/dbraw/zinc/68/44/10/382684410.db2.gz OMJICHDJELPZSD-ZWKOTPCHSA-N 0 1 295.386 2.907 20 30 CFEDMN C[C@@H](c1cccc(O)c1)N(C)Cc1cc(C#N)n(C)c1 ZINC000191348167 382698776 /nfs/dbraw/zinc/69/87/76/382698776.db2.gz JHLUUKUEJWPYHM-LBPRGKRZSA-N 0 1 269.348 2.795 20 30 CFEDMN C#CCCCC(=O)NC[C@H](c1ccco1)N1CCCCC1 ZINC000192053187 382704380 /nfs/dbraw/zinc/70/43/80/382704380.db2.gz KLBZWTWVPLQXCC-OAHLLOKOSA-N 0 1 288.391 2.726 20 30 CFEDMN CN(CC#Cc1ccccc1)CCC(=O)OC(C)(C)C ZINC000192070224 382704684 /nfs/dbraw/zinc/70/46/84/382704684.db2.gz LCCAHKSMUOXQBT-UHFFFAOYSA-N 0 1 273.376 2.702 20 30 CFEDMN CN(CC#Cc1ccccc1)CCc1ccccn1 ZINC000192132918 382704986 /nfs/dbraw/zinc/70/49/86/382704986.db2.gz VOKVSIAEFMAXCV-UHFFFAOYSA-N 0 1 250.345 2.608 20 30 CFEDMN C=CCNC(=O)[C@H](C)[N@@H+](C)CCCCc1ccccc1 ZINC000193438453 382719754 /nfs/dbraw/zinc/71/97/54/382719754.db2.gz WSMNNTVFMMXMJL-HNNXBMFYSA-N 0 1 274.408 2.632 20 30 CFEDMN COCc1ccc(C=C(C)c2nc(C)c(C#N)c(=O)[nH]2)cc1 ZINC000193614472 382721503 /nfs/dbraw/zinc/72/15/03/382721503.db2.gz BDKKZIVBDOOHOT-DHZHZOJOSA-N 0 1 295.342 2.657 20 30 CFEDMN C=CCN1CC[C@H](N(CC)Cc2ccc(Cl)cc2)C1=O ZINC000337139789 382767011 /nfs/dbraw/zinc/76/70/11/382767011.db2.gz QJIXQEPTXQLSPB-HNNXBMFYSA-N 0 1 292.810 2.949 20 30 CFEDMN C=CCN1CC[C@H](N2CCC[C@H]2/C=C/c2ccccc2)C1=O ZINC000337205784 382776841 /nfs/dbraw/zinc/77/68/41/382776841.db2.gz LFOVOYNIFGCCJR-QTYXSNHHSA-N 0 1 296.414 2.951 20 30 CFEDMN N#Cc1ccccc1CN[C@@H]1CCC[C@@H]1OC(F)F ZINC000337276245 382791897 /nfs/dbraw/zinc/79/18/97/382791897.db2.gz FBQWEJKDSILNPL-OLZOCXBDSA-N 0 1 266.291 2.808 20 30 CFEDMN N#Cc1ccc(CN[C@@H]2CCO[C@@H]2c2ccccc2)nc1 ZINC000577121985 382849044 /nfs/dbraw/zinc/84/90/44/382849044.db2.gz LEICVTARSKXNNB-IAGOWNOFSA-N 0 1 279.343 2.573 20 30 CFEDMN CCC1(C)CCN([C@@H](C)C(=O)N[C@](C)(C#N)C(C)C)CC1 ZINC000337675960 382854648 /nfs/dbraw/zinc/85/46/48/382854648.db2.gz FTSTZPNMBYGQRN-WMLDXEAASA-N 0 1 293.455 2.941 20 30 CFEDMN CCC1(C)CCN(CC(=O)N[C@](C)(C#N)C(C)C)CC1 ZINC000337701491 382856929 /nfs/dbraw/zinc/85/69/29/382856929.db2.gz WXCZACGURBACJF-MRXNPFEDSA-N 0 1 279.428 2.553 20 30 CFEDMN COC(=O)c1cccc(CN2CC[C@@H](C)[C@@H]2C)c1C#N ZINC000533760801 382910164 /nfs/dbraw/zinc/91/01/64/382910164.db2.gz HXSIZJDZZHAHJY-NEPJUHHUSA-N 0 1 272.348 2.575 20 30 CFEDMN COc1cc(CN2CCS[C@H](C)C2)ccc1C#N ZINC000234992298 382875912 /nfs/dbraw/zinc/87/59/12/382875912.db2.gz VCRFNUBDXPMVKS-LLVKDONJSA-N 0 1 262.378 2.504 20 30 CFEDMN COC(=O)CC1(CN(CCC#N)CC(C)(C)C)CC1 ZINC000440799368 382884399 /nfs/dbraw/zinc/88/43/99/382884399.db2.gz TXHMEDXQGKRPRP-UHFFFAOYSA-N 0 1 266.385 2.591 20 30 CFEDMN Cc1c(C#N)cccc1C(=O)N[C@@H](C)c1n[nH]c(C(C)C)n1 ZINC000338173243 382942072 /nfs/dbraw/zinc/94/20/72/382942072.db2.gz BUNREYGMAUBVPM-NSHDSACASA-N 0 1 297.362 2.599 20 30 CFEDMN N#C[C@@H]1CC[C@H](NCc2cccnc2OCC(F)(F)F)C1 ZINC000442716724 382947841 /nfs/dbraw/zinc/94/78/41/382947841.db2.gz MXLGDIZKZWZTEZ-PWSUYJOCSA-N 0 1 299.296 2.805 20 30 CFEDMN N#Cc1cccc(CNC2(C(=O)Nc3ccccc3)CC2)c1 ZINC000495144595 382964528 /nfs/dbraw/zinc/96/45/28/382964528.db2.gz BRMNHQDUIPOOIA-UHFFFAOYSA-N 0 1 291.354 2.819 20 30 CFEDMN CC(C)(C)c1[nH]n(C[C@H]2CCCOC2)c(=O)c1CCC#N ZINC000536156120 382956025 /nfs/dbraw/zinc/95/60/25/382956025.db2.gz ZICJKKJKASSTIJ-GFCCVEGCSA-N 0 1 291.395 2.769 20 30 CFEDMN Cn1ccnc1[C@H]1CCN(CC#Cc2cccc(Cl)c2)C1 ZINC000536593707 382956058 /nfs/dbraw/zinc/95/60/58/382956058.db2.gz WCMSFGMHSNALNF-HNNXBMFYSA-N 0 1 299.805 2.915 20 30 CFEDMN COc1ccc(-n2ccc(CN[C@H]3CC[C@@H](C#N)C3)n2)cc1 ZINC000442798982 382957558 /nfs/dbraw/zinc/95/75/58/382957558.db2.gz XPTAXTBXKJMQIX-KGLIPLIRSA-N 0 1 296.374 2.663 20 30 CFEDMN C=C(Cl)CN1CC[C@@H]([C@@H](C)NC(=O)OC(C)(C)C)C1 ZINC000495068339 382957603 /nfs/dbraw/zinc/95/76/03/382957603.db2.gz RIZSSIIUXGZODC-VXGBXAGGSA-N 0 1 288.819 2.974 20 30 CFEDMN Cc1cccc(F)c1NC(=O)c1ccc(C#N)c(O)c1 ZINC000442800575 382957813 /nfs/dbraw/zinc/95/78/13/382957813.db2.gz MOAOHESCSVYDCN-UHFFFAOYSA-N 0 1 270.263 2.964 20 30 CFEDMN CC[C@H](C)c1nc([C@H](C)N[C@@H]2CC[C@@H](C#N)C2)n[nH]1 ZINC000442851524 382961507 /nfs/dbraw/zinc/96/15/07/382961507.db2.gz FCALYYHIOBVHMW-NNYUYHANSA-N 0 1 261.373 2.661 20 30 CFEDMN N#C[C@H]1CC[C@H](NCc2ccncc2OCC(F)(F)F)C1 ZINC000442866136 382962503 /nfs/dbraw/zinc/96/25/03/382962503.db2.gz KGELCXPBBZDIEP-JQWIXIFHSA-N 0 1 299.296 2.805 20 30 CFEDMN CC(C)OC(=O)[C@H](C)N(C)CCCCC(C)(C)C#N ZINC000444641318 382976069 /nfs/dbraw/zinc/97/60/69/382976069.db2.gz DOXYQQCYDTVGGE-ZDUSSCGKSA-N 0 1 268.401 2.978 20 30 CFEDMN CC(C)[C@](C)(C#N)NC(=O)CN1CCCCC(C)(C)C1 ZINC000446070731 382987426 /nfs/dbraw/zinc/98/74/26/382987426.db2.gz KNQPVYOGGTUHEF-INIZCTEOSA-N 0 1 279.428 2.553 20 30 CFEDMN CC1(C)CCCCN(CC(=O)NC2(C#N)CCCCC2)C1 ZINC000446058652 382987612 /nfs/dbraw/zinc/98/76/12/382987612.db2.gz BFOOZSQGUDWFCK-UHFFFAOYSA-N 0 1 291.439 2.841 20 30 CFEDMN C=CC[C@H](C)NC(=O)c1sccc1CN(C)C ZINC000446917161 382992543 /nfs/dbraw/zinc/99/25/43/382992543.db2.gz WBPDUSGWZMTFDZ-JTQLQIEISA-N 0 1 252.383 2.504 20 30 CFEDMN C=C(C)CN(C)[C@@H](C)C(=O)N1[C@H](C)CCC[C@@H]1C ZINC000245534305 383004297 /nfs/dbraw/zinc/00/42/97/383004297.db2.gz DTCPRMLSZBVDBG-MJBXVCDLSA-N 0 1 252.402 2.672 20 30 CFEDMN C[C@H](NCC(=O)NC(C1CC1)C1CC1)c1ccc(C#N)cc1 ZINC000338363997 383005690 /nfs/dbraw/zinc/00/56/90/383005690.db2.gz SYNOXWFYFPQOKW-LBPRGKRZSA-N 0 1 297.402 2.514 20 30 CFEDMN CC[C@@]1(O)CCN(CC#Cc2cccc(Cl)c2)C1 ZINC000495189294 382969121 /nfs/dbraw/zinc/96/91/21/382969121.db2.gz GRFQHTBFEYYOII-OAHLLOKOSA-N 0 1 263.768 2.538 20 30 CFEDMN C[C@H](C#N)CN(C)CC[C@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC000495874214 383038273 /nfs/dbraw/zinc/03/82/73/383038273.db2.gz LFBBAMASOMJGSK-KGLIPLIRSA-N 0 1 295.427 2.725 20 30 CFEDMN Cn1cc2c(n1)CCC[C@@H]2NC1(c2cccc(C#N)c2)CC1 ZINC000551811575 383051670 /nfs/dbraw/zinc/05/16/70/383051670.db2.gz GFWVQHZSIJYPNK-INIZCTEOSA-N 0 1 292.386 2.948 20 30 CFEDMN C=CCCCCCNC(=O)N1CCN(C)C[C@H]1C(C)C ZINC000579849908 383060458 /nfs/dbraw/zinc/06/04/58/383060458.db2.gz GPFBSQNADLBZEY-HNNXBMFYSA-N 0 1 281.444 2.714 20 30 CFEDMN C=CCC[N@H+](CC(=O)[O-])Cc1ccc(Cl)cc1 ZINC000580838536 383080498 /nfs/dbraw/zinc/08/04/98/383080498.db2.gz LYPCVTPJFLINAF-UHFFFAOYSA-N 0 1 253.729 2.803 20 30 CFEDMN C=CCCN1CCN(c2cc(OC)ccc2F)CC1 ZINC000338544374 383022163 /nfs/dbraw/zinc/02/21/63/383022163.db2.gz ZWTQKTKGMGBJOZ-UHFFFAOYSA-N 0 1 264.344 2.532 20 30 CFEDMN N#Cc1csc(CNCCc2ccc(F)c(F)c2)n1 ZINC000589317785 383119670 /nfs/dbraw/zinc/11/96/70/383119670.db2.gz NLXZRGUSUOJXCF-UHFFFAOYSA-N 0 1 279.315 2.625 20 30 CFEDMN CC(C)N(CCC#N)CCCNC(=O)OC(C)(C)C ZINC000496618696 383122467 /nfs/dbraw/zinc/12/24/67/383122467.db2.gz SOEBTZKWMHWFRC-UHFFFAOYSA-N 0 1 269.389 2.525 20 30 CFEDMN COCCN(CCC#N)C[C@H]1C(C)=CCC[C@@H]1C ZINC000615504233 383139778 /nfs/dbraw/zinc/13/97/78/383139778.db2.gz UAUYXIAVALCRJZ-GJZGRUSLSA-N 0 1 250.386 2.841 20 30 CFEDMN C(#Cc1ccccc1)CN1CC[C@H](c2cccnc2)C1 ZINC000580771485 383080966 /nfs/dbraw/zinc/08/09/66/383080966.db2.gz KDMXZRIBLRBTDK-SFHVURJKSA-N 0 1 262.356 2.923 20 30 CFEDMN COC(=O)c1oc(CN2CCC(CCC#N)CC2)cc1C ZINC000582119772 383085116 /nfs/dbraw/zinc/08/51/16/383085116.db2.gz LQXRCLQDPVRPMY-UHFFFAOYSA-N 0 1 290.363 2.890 20 30 CFEDMN C=C[C@@H](CC(=O)N1CCN(C)C[C@@H]1CC)c1ccccc1 ZINC000583773490 383092800 /nfs/dbraw/zinc/09/28/00/383092800.db2.gz ZIVYFHSAIJLKBW-RDJZCZTQSA-N 0 1 286.419 2.899 20 30 CFEDMN CC(C)(C)OC(=O)NC[C@@H](NCCC#N)C1CCCC1 ZINC000496441609 383101847 /nfs/dbraw/zinc/10/18/47/383101847.db2.gz WAOAQKLTQQQHLJ-CYBMUJFWSA-N 0 1 281.400 2.573 20 30 CFEDMN N#Cc1ccc(F)c(CN2CC[C@@H]3OCCC[C@H]3C2)c1 ZINC000246902523 383118947 /nfs/dbraw/zinc/11/89/47/383118947.db2.gz VQKHZOMWDBBCBW-BBRMVZONSA-N 0 1 274.339 2.698 20 30 CFEDMN C[C@H](c1ccccc1)N(C)C(=O)CN(C)[C@H]1CC[C@H](C#N)C1 ZINC000339159821 383171037 /nfs/dbraw/zinc/17/10/37/383171037.db2.gz SXBLACHSTSAZRM-VYDXJSESSA-N 0 1 299.418 2.830 20 30 CFEDMN COCc1ccc(CN2CCC(F)(C#N)CC2)cc1 ZINC000339187725 383182539 /nfs/dbraw/zinc/18/25/39/383182539.db2.gz ZDCZDGSVKRRRTR-UHFFFAOYSA-N 0 1 262.328 2.661 20 30 CFEDMN C=CCN(C[C@H](C)c1ccc(S(C)(=O)=O)cc1)C1CC1 ZINC000449238869 383185756 /nfs/dbraw/zinc/18/57/56/383185756.db2.gz TWRDRZNRFSMGQQ-ZDUSSCGKSA-N 0 1 293.432 2.844 20 30 CFEDMN COC(=O)[C@@H]1C[C@H]2CCCC[C@H]2N1Cc1ccc(C#N)cc1 ZINC000247858042 383197917 /nfs/dbraw/zinc/19/79/17/383197917.db2.gz UXGNNXNHRJWXHK-ZACQAIPSSA-N 0 1 298.386 2.864 20 30 CFEDMN C[C@@H](NCc1ccc(C#N)cc1F)c1cc[nH]c(=O)c1 ZINC000339459140 383204250 /nfs/dbraw/zinc/20/42/50/383204250.db2.gz JCTJEXVPZAYFMM-SNVBAGLBSA-N 0 1 271.295 2.649 20 30 CFEDMN Cc1ccc(CNC[C@H](C)C#N)c(-c2cnn(C)c2)c1 ZINC000555321293 383148050 /nfs/dbraw/zinc/14/80/50/383148050.db2.gz XCQBDVJJUXLCRB-CYBMUJFWSA-N 0 1 268.364 2.645 20 30 CFEDMN C=C(C)CC[N@H+]1C[C@@H](C(=O)[O-])[C@@H](c2ccccc2)C1 ZINC000514679046 383155143 /nfs/dbraw/zinc/15/51/43/383155143.db2.gz XTJLYTJSDNXKRA-HUUCEWRRSA-N 0 1 259.349 2.753 20 30 CFEDMN CN(CCc1ccccn1)Cc1ccc(C#N)cc1[N+](=O)[O-] ZINC000515063779 383157906 /nfs/dbraw/zinc/15/79/06/383157906.db2.gz ZSKMFUQFZUHYLK-UHFFFAOYSA-N 0 1 296.330 2.536 20 30 CFEDMN C=CCN(CC=C)C(=O)[C@@H](C)N1CCS[C@@H](C(C)C)C1 ZINC000247337917 383164745 /nfs/dbraw/zinc/16/47/45/383164745.db2.gz FWYHXUFWYFXAJM-HUUCEWRRSA-N 0 1 296.480 2.649 20 30 CFEDMN C=CCOc1ccc(CNCc2n[nH]c(C3CC3)n2)cc1 ZINC000449406127 383271491 /nfs/dbraw/zinc/27/14/91/383271491.db2.gz SSOWNDVNLSWKTR-UHFFFAOYSA-N 0 1 284.363 2.537 20 30 CFEDMN C=C(C)CN(CC)CC(=O)N[C@H]1CCCC[C@@H]1C ZINC000248249925 383221588 /nfs/dbraw/zinc/22/15/88/383221588.db2.gz RYVDQWXIASLEOW-KBPBESRZSA-N 0 1 252.402 2.579 20 30 CFEDMN C=C(CC)CNC(=O)NCCN(CC)CCC(F)(F)F ZINC000458720078 383235833 /nfs/dbraw/zinc/23/58/33/383235833.db2.gz WBGJZAVBMRJMNT-UHFFFAOYSA-N 0 1 295.349 2.526 20 30 CFEDMN C[C@H]1CCC[C@H]1NCc1c(C#N)cccc1[N+](=O)[O-] ZINC000459416722 383287417 /nfs/dbraw/zinc/28/74/17/383287417.db2.gz HHMINMGNRQKIJQ-GXFFZTMASA-N 0 1 259.309 2.745 20 30 CFEDMN C=CC[C@@H](C)[C@@H](C)NCc1nn(C)cc1Br ZINC000449483715 383323533 /nfs/dbraw/zinc/32/35/33/383323533.db2.gz JZTJLDLIVZHJGM-NXEZZACHSA-N 0 1 286.217 2.873 20 30 CFEDMN CC1(C)CCCN(C(=O)c2cc(-c3ccoc3)[nH]n2)[C@@H]1C#N ZINC000568585518 383415639 /nfs/dbraw/zinc/41/56/39/383415639.db2.gz ZLMFCNUCDCSGEB-CQSZACIVSA-N 0 1 298.346 2.824 20 30 CFEDMN Cn1ccnc1[C@H]1CCN(CC#Cc2ccc(Cl)cc2)C1 ZINC000568583645 383415901 /nfs/dbraw/zinc/41/59/01/383415901.db2.gz CCWMBRJSWNWUCY-HNNXBMFYSA-N 0 1 299.805 2.915 20 30 CFEDMN C=CCC[C@@H](NCc1ccc2nc[nH]c2c1)C(=O)OCC ZINC000568473154 383405038 /nfs/dbraw/zinc/40/50/38/383405038.db2.gz JIZZLGGMFOYLNN-CQSZACIVSA-N 0 1 287.363 2.550 20 30 CFEDMN C=CCCCCNC(=O)c1cc2[nH]cnc2cc1F ZINC000425254366 383351304 /nfs/dbraw/zinc/35/13/04/383351304.db2.gz LEGJNWKRNRSMMQ-UHFFFAOYSA-N 0 1 261.300 2.788 20 30 CFEDMN C=CC[N@@H+](Cc1cccc([N+](=O)[O-])c1)[C@@H](CCC)C(=O)[O-] ZINC000568061648 383351552 /nfs/dbraw/zinc/35/15/52/383351552.db2.gz MUICJHYFUALEGR-AWEZNQCLSA-N 0 1 292.335 2.836 20 30 CFEDMN CC1(C)CCC[N@H+]1CCNc1c(C#N)cccc1[N+](=O)[O-] ZINC000425268444 383354206 /nfs/dbraw/zinc/35/42/06/383354206.db2.gz OTLYYERWWQNURG-UHFFFAOYSA-N 0 1 288.351 2.753 20 30 CFEDMN C=CCC[C@H](CO)NCc1coc(-c2ccccc2)n1 ZINC000449699954 383362396 /nfs/dbraw/zinc/36/23/96/383362396.db2.gz RUJODIRCKMHECU-CQSZACIVSA-N 0 1 272.348 2.758 20 30 CFEDMN C=C(CC)CNCc1cc(C(=O)OC)c(CC)o1 ZINC000449733701 383363080 /nfs/dbraw/zinc/36/30/80/383363080.db2.gz JIRJYZIXYRVIQV-UHFFFAOYSA-N 0 1 251.326 2.684 20 30 CFEDMN CCO[C@@H]1C[C@@H](N(C)CC2(C#N)CCC2)C12CCC2 ZINC000450493673 383436620 /nfs/dbraw/zinc/43/66/20/383436620.db2.gz FNLKKLAMJMRTIS-ZIAGYGMSSA-N 0 1 262.397 2.960 20 30 CFEDMN C[C@@H](Cc1ccc(O)cc1)N(C)CC1(C#N)CCC1 ZINC000450499118 383438896 /nfs/dbraw/zinc/43/88/96/383438896.db2.gz JXVRMFBEHQPPQY-ZDUSSCGKSA-N 0 1 258.365 2.949 20 30 CFEDMN CN(Cc1cccc(F)c1C#N)C[C@@H]1CCCC[C@H]1O ZINC000428317542 383450555 /nfs/dbraw/zinc/45/05/55/383450555.db2.gz CUVRBWGSZVDHQU-XJKSGUPXSA-N 0 1 276.355 2.680 20 30 CFEDMN Cc1ccccc1[C@H]1CCCN1CC(=O)NC1(C#N)CCC1 ZINC000527377099 383469519 /nfs/dbraw/zinc/46/95/19/383469519.db2.gz ISMDSHBRZAOERB-MRXNPFEDSA-N 0 1 297.402 2.694 20 30 CFEDMN COC[C@@H]1CCCCN(Cc2cccc(F)c2C#N)C1 ZINC000428436761 383471826 /nfs/dbraw/zinc/47/18/26/383471826.db2.gz GRJUOIRDFAAOPU-CYBMUJFWSA-N 0 1 276.355 2.946 20 30 CFEDMN COC[C@H]1CCCCN(Cc2cccc(F)c2C#N)C1 ZINC000428436764 383472565 /nfs/dbraw/zinc/47/25/65/383472565.db2.gz GRJUOIRDFAAOPU-ZDUSSCGKSA-N 0 1 276.355 2.946 20 30 CFEDMN C=CCOc1cccc(NC(=O)[C@@H]2C[C@H]2c2cnc[nH]2)c1 ZINC000635416958 383549919 /nfs/dbraw/zinc/54/99/19/383549919.db2.gz OVBYXMZEGUDLOB-ZIAGYGMSSA-N 0 1 283.331 2.717 20 30 CFEDMN Cc1cccc(CN(C)[C@H](C)C(=O)NC2(C#N)CCC2)c1C ZINC000428727397 383498690 /nfs/dbraw/zinc/49/86/90/383498690.db2.gz CBDPPLIWRYWJHD-OAHLLOKOSA-N 0 1 299.418 2.686 20 30 CFEDMN CC(C)(C)c1nc(CN2CCC(CCC#N)CC2)n[nH]1 ZINC000570158389 383577264 /nfs/dbraw/zinc/57/72/64/383577264.db2.gz RUUBHGDDUUIPLQ-UHFFFAOYSA-N 0 1 275.400 2.618 20 30 CFEDMN COCCC1CCN(Cc2ccc(C#N)c(F)c2)CC1 ZINC000528576643 383582384 /nfs/dbraw/zinc/58/23/84/383582384.db2.gz DPKCGEMPXHNWFN-UHFFFAOYSA-N 0 1 276.355 2.946 20 30 CFEDMN C=CCN1CC[C@@H](N(C)Cc2ccc3c(c2)CCCC3)C1=O ZINC000430076110 383588950 /nfs/dbraw/zinc/58/89/50/383588950.db2.gz CRQNRKYCCJSJQO-GOSISDBHSA-N 0 1 298.430 2.784 20 30 CFEDMN Cc1cc(CN2C[C@H](C)O[C@H](C)[C@@H]2C)ccc1C#N ZINC000488998151 383590194 /nfs/dbraw/zinc/59/01/94/383590194.db2.gz WFPSGXWVVJJDPN-MELADBBJSA-N 0 1 258.365 2.864 20 30 CFEDMN COC[C@@H](NCC1(CC#N)CC1)c1ccc(F)c(F)c1 ZINC000430748259 383598219 /nfs/dbraw/zinc/59/82/19/383598219.db2.gz PTFUCIWMPTWQSI-CQSZACIVSA-N 0 1 280.318 2.936 20 30 CFEDMN Cn1c2ccccc2nc1C(C#N)C(=O)c1cncs1 ZINC000429675399 383557651 /nfs/dbraw/zinc/55/76/51/383557651.db2.gz NACHNALTRMULLX-SECBINFHSA-N 0 1 282.328 2.520 20 30 CFEDMN Cn1c2ccccc2nc1[C@H](C#N)C(=O)c1cncs1 ZINC000429675399 383557655 /nfs/dbraw/zinc/55/76/55/383557655.db2.gz NACHNALTRMULLX-SECBINFHSA-N 0 1 282.328 2.520 20 30 CFEDMN C[C@H](NCCOc1cccc(C#N)c1)c1ncccc1F ZINC000528825215 383647997 /nfs/dbraw/zinc/64/79/97/383647997.db2.gz PUARWHOFDDJQTO-LBPRGKRZSA-N 0 1 285.322 2.822 20 30 CFEDMN C[C@H]1O[C@@H](C)[C@@H](C)[C@@H]1NCc1ccc(F)cc1C#N ZINC000528752154 383623524 /nfs/dbraw/zinc/62/35/24/383623524.db2.gz DTIIRKVAYBKHQP-RSQPEXBXSA-N 0 1 262.328 2.599 20 30 CFEDMN C[C@H]1O[C@@H](C)[C@H](C)[C@H]1NCc1cccc(F)c1C#N ZINC000528757961 383626432 /nfs/dbraw/zinc/62/64/32/383626432.db2.gz HEALZRJSEVMMQJ-KIGUWFBYSA-N 0 1 262.328 2.599 20 30 CFEDMN Cc1cnc([C@H](C)N2CCC(CCC#N)CC2)cn1 ZINC000570713384 383628225 /nfs/dbraw/zinc/62/82/25/383628225.db2.gz LXNRPNZYNGSPOX-ZDUSSCGKSA-N 0 1 258.369 2.862 20 30 CFEDMN C=CCNC(=O)CN1CC[C@H](c2cccc(F)c2)C1(C)C ZINC000528770313 383632671 /nfs/dbraw/zinc/63/26/71/383632671.db2.gz QEVZBDAWGWZCAI-OAHLLOKOSA-N 0 1 290.382 2.696 20 30 CFEDMN CCO[C@@H]1CCN(Cc2ccc(C#N)c(F)c2)C[C@@H]1C ZINC000451526335 383634652 /nfs/dbraw/zinc/63/46/52/383634652.db2.gz GSKQSMOCVTZNRY-BLLLJJGKSA-N 0 1 276.355 2.944 20 30 CFEDMN CC(C)CCN(CCC#N)Cc1n[nH]c(C(C)(C)C)n1 ZINC000432835780 383750759 /nfs/dbraw/zinc/75/07/59/383750759.db2.gz QCOPNOGQONUWGJ-UHFFFAOYSA-N 0 1 277.416 2.864 20 30 CFEDMN C=CCOc1cccc(CNCc2cccn(CC)c2=O)c1 ZINC000433206140 383756038 /nfs/dbraw/zinc/75/60/38/383756038.db2.gz HARHZRUCJOYSAI-UHFFFAOYSA-N 0 1 298.386 2.723 20 30 CFEDMN Cc1nc2ccc(C(=O)[C@@H](C#N)c3ccncn3)cc2s1 ZINC000433198728 383756672 /nfs/dbraw/zinc/75/66/72/383756672.db2.gz HKCIHNGNIVIZJO-NSHDSACASA-N 0 1 294.339 2.885 20 30 CFEDMN Cc1nc2ccc(C(=O)C(C#N)c3ccncn3)cc2s1 ZINC000433198728 383756676 /nfs/dbraw/zinc/75/66/76/383756676.db2.gz HKCIHNGNIVIZJO-NSHDSACASA-N 0 1 294.339 2.885 20 30 CFEDMN CCC(C#N)(CC)C(=O)C(C#N)c1nc(C)cs1 ZINC000528910683 383674730 /nfs/dbraw/zinc/67/47/30/383674730.db2.gz TUASZTWLHSWTKP-JTQLQIEISA-N 0 1 261.350 2.958 20 30 CFEDMN CC(C)(C)CN(CCC#N)C[C@H]1CCCC[C@H]1O ZINC000572768510 383814842 /nfs/dbraw/zinc/81/48/42/383814842.db2.gz BWCKDVGHFLUJNV-ZIAGYGMSSA-N 0 1 252.402 2.799 20 30 CFEDMN C=CCC[C@@H](O)C[N@@H+](CC(=O)[O-])[C@H](CC)c1ccccc1 ZINC000572782032 383817128 /nfs/dbraw/zinc/81/71/28/383817128.db2.gz HJFZNFZKLLZCEA-HZPDHXFCSA-N 0 1 291.391 2.851 20 30 CFEDMN CN1CCN(C(=O)C[C@H](CC#N)c2ccccc2)CC1(C)C ZINC000572540806 383791456 /nfs/dbraw/zinc/79/14/56/383791456.db2.gz JOERXOOMVNGUEU-INIZCTEOSA-N 0 1 299.418 2.627 20 30 CFEDMN C=CC(C)(C)CCNC(=O)Nc1cc(CN(C)C)ccn1 ZINC000640577749 383834426 /nfs/dbraw/zinc/83/44/26/383834426.db2.gz YEVMNUABFAZQMG-UHFFFAOYSA-N 0 1 290.411 2.867 20 30 CFEDMN COC[C@H]1CCN(Cc2ccc(C#N)cc2OC(F)F)C1 ZINC000437884906 383918113 /nfs/dbraw/zinc/91/81/13/383918113.db2.gz YZGPHJAIRSPQFX-LBPRGKRZSA-N 0 1 296.317 2.628 20 30 CFEDMN C=CCOCCCSc1nc(-c2ccccc2O)n[nH]1 ZINC000436970659 383897582 /nfs/dbraw/zinc/89/75/82/383897582.db2.gz GMPLQUSKKIAPQQ-UHFFFAOYSA-N 0 1 291.376 2.862 20 30 CFEDMN Cc1cc2c[nH]nc2c(C(=O)N(CC#N)C2CCCC2)c1 ZINC000265707737 383982413 /nfs/dbraw/zinc/98/24/13/383982413.db2.gz ZDIAVQHXCAGBDQ-UHFFFAOYSA-N 0 1 282.347 2.780 20 30 CFEDMN N#CCCN(CC1CC1)C(=O)c1cnc(-c2ccccc2)[nH]1 ZINC000265605220 383955717 /nfs/dbraw/zinc/95/57/17/383955717.db2.gz MFMKLBUNERLTSP-UHFFFAOYSA-N 0 1 294.358 2.843 20 30 CFEDMN CCO[C@@H]1C[C@H]([N@@H+](C)Cc2ccc(C#N)cn2)C1(C)C ZINC000573665349 383968898 /nfs/dbraw/zinc/96/88/98/383968898.db2.gz PZRLWKZMYKGBBJ-LSDHHAIUSA-N 0 1 273.380 2.589 20 30 CFEDMN CCO[C@@H]1C[C@H](N(C)Cc2ccc(C#N)cn2)C1(C)C ZINC000573665349 383968903 /nfs/dbraw/zinc/96/89/03/383968903.db2.gz PZRLWKZMYKGBBJ-LSDHHAIUSA-N 0 1 273.380 2.589 20 30 CFEDMN OC[C@]1(NCC#Cc2ccccc2)CCCc2ccccc21 ZINC000440457866 384084789 /nfs/dbraw/zinc/08/47/89/384084789.db2.gz AKSXXZCWADCFET-HXUWFJFHSA-N 0 1 291.394 2.852 20 30 CFEDMN COc1cc(CNCc2ccnc(SC)c2)ccc1C#N ZINC000440624333 384115522 /nfs/dbraw/zinc/11/55/22/384115522.db2.gz ISNBCLSADKIBMC-UHFFFAOYSA-N 0 1 299.399 2.974 20 30 CFEDMN C=CCCC(C)(C)CNC(=O)N[C@H](C)c1n[nH]c(CC)n1 ZINC000637620664 384137559 /nfs/dbraw/zinc/13/75/59/384137559.db2.gz GFKHQKXBUIOUPW-LLVKDONJSA-N 0 1 293.415 2.720 20 30 CFEDMN CCC#C[C@H](C)N1CC[C@@H](OCc2c(C)noc2C)C1 ZINC000680819737 542368671 /nfs/dbraw/zinc/36/86/71/542368671.db2.gz AOVFRUQPKYMHTN-SWLSCSKDSA-N 0 1 276.380 2.684 20 30 CFEDMN C=CCN(Cc1ccccc1F)C[C@@]1(OC)CCOC1 ZINC000637966742 384314841 /nfs/dbraw/zinc/31/48/41/384314841.db2.gz VXMKQOCVQYVOAW-INIZCTEOSA-N 0 1 279.355 2.619 20 30 CFEDMN CC#CC[C@@H](CO)NCc1ccc(Cl)cc1Cl ZINC000641768784 384335117 /nfs/dbraw/zinc/33/51/17/384335117.db2.gz HTSKUGSWTGDSIG-LBPRGKRZSA-N 0 1 272.175 2.857 20 30 CFEDMN CC#CC[C@@H](CO)NCc1ccc(C)cc1Cl ZINC000641768137 384335457 /nfs/dbraw/zinc/33/54/57/384335457.db2.gz XDGHXZBZYJTIND-ZDUSSCGKSA-N 0 1 251.757 2.512 20 30 CFEDMN CC#CC[C@H](CO)NCc1cnc(C2CCCC2)s1 ZINC000641766736 384331764 /nfs/dbraw/zinc/33/17/64/384331764.db2.gz AYDPBNBFHYXLAR-CYBMUJFWSA-N 0 1 278.421 2.665 20 30 CFEDMN CC[C@H](C)c1nc([C@@H](C)NCc2ccc(C#N)o2)n[nH]1 ZINC000277542236 384332271 /nfs/dbraw/zinc/33/22/71/384332271.db2.gz ZIOFIGMHMIGGCR-VHSXEESVSA-N 0 1 273.340 2.634 20 30 CFEDMN C=CCN1CC[C@@H](N(C)Cc2c(C)oc3ccccc32)C1=O ZINC000281135020 195118433 /nfs/dbraw/zinc/11/84/33/195118433.db2.gz DHCADJPCPMEWOJ-MRXNPFEDSA-N 0 1 298.386 2.960 20 30 CFEDMN C=C(C)[C@H](CO)N1Cc2ccc(OC)cc2OC(C)(C)C1 ZINC000643256636 384530123 /nfs/dbraw/zinc/53/01/23/384530123.db2.gz ODXUYNQRVJAQRN-HNNXBMFYSA-N 0 1 291.391 2.605 20 30 CFEDMN C[C@@H](NCc1cnc([C@H](C)O)s1)c1ccc(C#N)cc1 ZINC000289347003 197304891 /nfs/dbraw/zinc/30/48/91/197304891.db2.gz WXTBQFARUOFJAI-MNOVXSKESA-N 0 1 287.388 2.919 20 30 CFEDMN C#C[C@@H](C)NCc1c(C)nn(-c2ccc(F)cc2F)c1C ZINC000289359569 197310876 /nfs/dbraw/zinc/31/08/76/197310876.db2.gz KFLLJTHZSIEONI-SNVBAGLBSA-N 0 1 289.329 2.879 20 30 CFEDMN C=CCCOCC(=O)Nc1cc(C(=O)CC)ccc1O ZINC000643304218 384562655 /nfs/dbraw/zinc/56/26/55/384562655.db2.gz FBBSBNMKMSPALM-UHFFFAOYSA-N 0 1 277.320 2.516 20 30 CFEDMN C=CCN(CCc1ccccc1)Cc1cc(=O)c(OC)co1 ZINC000268530090 384630461 /nfs/dbraw/zinc/63/04/61/384630461.db2.gz IIMCTLOMUVYAML-UHFFFAOYSA-N 0 1 299.370 2.879 20 30 CFEDMN C=CCCCN1CCOC[C@@H]1C[C@@H](O)c1ccccc1 ZINC000268735807 384652870 /nfs/dbraw/zinc/65/28/70/384652870.db2.gz YIJVBOFVUMOVTJ-DLBZAZTESA-N 0 1 275.392 2.777 20 30 CFEDMN C=C1CCN(C(=O)c2cc(-c3ccc(OC)cc3)[nH]n2)CC1 ZINC000268862894 384680185 /nfs/dbraw/zinc/68/01/85/384680185.db2.gz CEWLAQHSDZRIDX-UHFFFAOYSA-N 0 1 297.358 2.878 20 30 CFEDMN C=CCOc1ccccc1C(=O)N[C@@H]1CCCc2cn[nH]c21 ZINC000268931284 384695842 /nfs/dbraw/zinc/69/58/42/384695842.db2.gz FHSYNOGIWIRXSB-CQSZACIVSA-N 0 1 297.358 2.782 20 30 CFEDMN C#CCn1ccc(CN(CC)CCCc2ccccc2)n1 ZINC000279684260 384721750 /nfs/dbraw/zinc/72/17/50/384721750.db2.gz GVNUWWQOLMDSGW-UHFFFAOYSA-N 0 1 281.403 2.971 20 30 CFEDMN C=CC[C@H](C(=O)NOCCSC)c1ccccc1 ZINC000280129172 384895604 /nfs/dbraw/zinc/89/56/04/384895604.db2.gz WKHQHKITMIIFAV-ZDUSSCGKSA-N 0 1 265.378 2.757 20 30 CFEDMN N#CC1(NC(=O)C(F)(F)c2c(F)cccc2F)CCC1 ZINC000270268835 385037339 /nfs/dbraw/zinc/03/73/39/385037339.db2.gz VXYYYBFDDSQBLU-UHFFFAOYSA-N 0 1 286.228 2.619 20 30 CFEDMN C#CC[C@@H](NC(=O)[C@@H]1CCCc2[nH]ncc21)c1ccccc1 ZINC000270495176 385122727 /nfs/dbraw/zinc/12/27/27/385122727.db2.gz PQEYJSGHZYLHEU-GDBMZVCRSA-N 0 1 293.370 2.710 20 30 CFEDMN C#CCCN1CCCN(C(=O)c2ccc(Cl)cc2)CC1 ZINC000270637133 385172360 /nfs/dbraw/zinc/17/23/60/385172360.db2.gz RFVBWSFMPVQCGL-UHFFFAOYSA-N 0 1 290.794 2.511 20 30 CFEDMN Cc1nn2c(nc(C)c2CNCc2cccc(C#N)c2)s1 ZINC000271171710 385360613 /nfs/dbraw/zinc/36/06/13/385360613.db2.gz CDJGSSWXMSBRMA-UHFFFAOYSA-N 0 1 297.387 2.569 20 30 CFEDMN COCCCn1nccc1CN[C@@H](C)c1ccc(C#N)cc1 ZINC000282655232 385362646 /nfs/dbraw/zinc/36/26/46/385362646.db2.gz MHAPLGOAAMOHFZ-AWEZNQCLSA-N 0 1 298.390 2.642 20 30 CFEDMN C[C@@H](NC[C@@](C)(O)C(F)(F)F)c1ccc(C#N)c(F)c1 ZINC000271911852 385398297 /nfs/dbraw/zinc/39/82/97/385398297.db2.gz AWEQPNQYJIRYKN-PRHODGIISA-N 0 1 290.260 2.661 20 30 CFEDMN Cn1cc2c(n1)CCC[C@H]2NCc1ccc(C#N)s1 ZINC000283131481 385439325 /nfs/dbraw/zinc/43/93/25/385439325.db2.gz ZSGKTWLEZPDVMN-CYBMUJFWSA-N 0 1 272.377 2.520 20 30 CFEDMN C=CCN(CCc1ccco1)Cc1cccc(OC)n1 ZINC000272300457 385503207 /nfs/dbraw/zinc/50/32/07/385503207.db2.gz PRFINMDVMHRUTE-UHFFFAOYSA-N 0 1 272.348 2.914 20 30 CFEDMN CC(C)(C)[C@@H]1CCN(Cc2cc(C#N)ccc2F)C[C@H]1O ZINC000272302515 385504081 /nfs/dbraw/zinc/50/40/81/385504081.db2.gz HISKJARFTXXPQJ-GDBMZVCRSA-N 0 1 290.382 2.926 20 30 CFEDMN CC(C)(C)[C@@H]1CCN(Cc2ccc(C#N)cc2F)C[C@H]1O ZINC000272357370 385518046 /nfs/dbraw/zinc/51/80/46/385518046.db2.gz RQAWTKBWHCCWKL-GDBMZVCRSA-N 0 1 290.382 2.926 20 30 CFEDMN CC(C)(C)[C@H]1CCN(Cc2ccccc2C#N)C[C@H]1O ZINC000272336852 385513368 /nfs/dbraw/zinc/51/33/68/385513368.db2.gz ODKFAEVOMDHYHZ-JKSUJKDBSA-N 0 1 272.392 2.787 20 30 CFEDMN C=CCN(CCc1ccco1)Cc1ccc(CO)o1 ZINC000272555327 385564340 /nfs/dbraw/zinc/56/43/40/385564340.db2.gz DIZSJANTLGOWQR-UHFFFAOYSA-N 0 1 261.321 2.596 20 30 CFEDMN C#CC(C)(C)[N@@H+](C)C[C@H](O)c1ccccc1Cl ZINC000286374356 385601188 /nfs/dbraw/zinc/60/11/88/385601188.db2.gz YWMLMLUJBUVSQF-ZDUSSCGKSA-N 0 1 251.757 2.717 20 30 CFEDMN C=CCCN1CCc2c(ncn2-c2ccc(F)cc2)C1 ZINC000272859264 385634722 /nfs/dbraw/zinc/63/47/22/385634722.db2.gz VDQVEQHRMMUDPU-UHFFFAOYSA-N 0 1 271.339 2.946 20 30 CFEDMN C#CCN(C[C@@H](O)c1ccccc1Br)C1CC1 ZINC000274022343 385700697 /nfs/dbraw/zinc/70/06/97/385700697.db2.gz CFLYKVKBZSLBKJ-CQSZACIVSA-N 0 1 294.192 2.580 20 30 CFEDMN C=C(C)[C@H](NCCN1CCCC1=O)c1ccc(F)c(F)c1 ZINC000274891085 385892421 /nfs/dbraw/zinc/89/24/21/385892421.db2.gz PRDFEJJZXOBINB-INIZCTEOSA-N 0 1 294.345 2.794 20 30 CFEDMN C=CCCN(C)C(=O)N[C@@H]1CC[N@@H+](C)[C@H]1c1ccccc1 ZINC000276089972 385983262 /nfs/dbraw/zinc/98/32/62/385983262.db2.gz MJDYKRPKEDKAGJ-CVEARBPZSA-N 0 1 287.407 2.649 20 30 CFEDMN C=CC[C@@H](C(=O)N[C@H](C)c1n[nH]c(CC)n1)c1ccccc1 ZINC000275318184 385974836 /nfs/dbraw/zinc/97/48/36/385974836.db2.gz KNFJTPRMMWDHBU-TZMCWYRMSA-N 0 1 298.390 2.904 20 30 CFEDMN C#CCN(C)C[C@H](O)c1ccc(Cl)cc1Cl ZINC000276988874 386100545 /nfs/dbraw/zinc/10/05/45/386100545.db2.gz MUBLAFOHUMBBRC-LBPRGKRZSA-N 0 1 258.148 2.592 20 30 CFEDMN C#CCN(C)C[C@@H](O)c1ccc(Cl)cc1Cl ZINC000276988872 386101030 /nfs/dbraw/zinc/10/10/30/386101030.db2.gz MUBLAFOHUMBBRC-GFCCVEGCSA-N 0 1 258.148 2.592 20 30 CFEDMN CSCCCN(C)Cc1cn2ccccc2c1C#N ZINC000281360108 195210409 /nfs/dbraw/zinc/21/04/09/195210409.db2.gz LDWORZOUBHQXSJ-UHFFFAOYSA-N 0 1 273.405 2.996 20 30 CFEDMN C[C@@H](C(=O)N1CCc2ccccc21)N1CCC(CC#N)CC1 ZINC000335977051 533220291 /nfs/dbraw/zinc/22/02/91/533220291.db2.gz HLFNUJOUSIBQTJ-AWEZNQCLSA-N 0 1 297.402 2.590 20 30 CFEDMN C=CC1CCN(CC(=O)N[C@H](C)c2cccs2)CC1 ZINC000111258748 262258727 /nfs/dbraw/zinc/25/87/27/262258727.db2.gz RRMNFBHFBZWQNO-GFCCVEGCSA-N 0 1 278.421 2.823 20 30 CFEDMN C=CCN1CC[C@H](N[C@@H](C)c2ccccc2SC)C1=O ZINC000281594988 195301857 /nfs/dbraw/zinc/30/18/57/195301857.db2.gz FGJNZILGFUUUEF-JSGCOSHPSA-N 0 1 290.432 2.846 20 30 CFEDMN C=CC[C@H](CC)NC(=O)c1cccc(-c2nnc[nH]2)c1 ZINC000281630265 195315345 /nfs/dbraw/zinc/31/53/45/195315345.db2.gz GOYYYXAVNNKCLP-ZDUSSCGKSA-N 0 1 270.336 2.556 20 30 CFEDMN CCOC(=O)[C@@H](C)[C@@H](C)NCc1ccc(Cl)cc1C#N ZINC000283213740 195818198 /nfs/dbraw/zinc/81/81/98/195818198.db2.gz SEOZDLBAJIVHTC-WDEREUQCSA-N 0 1 294.782 2.889 20 30 CFEDMN Cc1n[nH]c(C(=O)N[C@@H](C#N)c2ccccc2Cl)c1C ZINC000336520100 533667891 /nfs/dbraw/zinc/66/78/91/533667891.db2.gz PGACUKNKBXVDNU-LBPRGKRZSA-N 0 1 288.738 2.675 20 30 CFEDMN C=CCC[C@H](O)C[N@H+]1CCC[C@H]1c1nccs1 ZINC000370504495 260066405 /nfs/dbraw/zinc/06/64/05/260066405.db2.gz IRBYCZNBMXKFHQ-RYUDHWBXSA-N 0 1 252.383 2.607 20 30 CFEDMN C=CCC[C@H](O)CN1CCC[C@H]1c1nccs1 ZINC000370504495 260066406 /nfs/dbraw/zinc/06/64/06/260066406.db2.gz IRBYCZNBMXKFHQ-RYUDHWBXSA-N 0 1 252.383 2.607 20 30 CFEDMN N#Cc1cccc(CN2CC[C@@]3(C2)CCCOC3)c1F ZINC000342021178 130203909 /nfs/dbraw/zinc/20/39/09/130203909.db2.gz QKDZDVGXMVOOCA-MRXNPFEDSA-N 0 1 274.339 2.700 20 30 CFEDMN C=CCCCCCN1CCN(C(=O)N2CCCC2)CC1 ZINC000683778727 542723276 /nfs/dbraw/zinc/72/32/76/542723276.db2.gz OLUXSXOJOIUGAX-UHFFFAOYSA-N 0 1 279.428 2.566 20 30 CFEDMN C#CCC[N@H+]1CCC[C@@H]1c1nnc(-c2ccccc2)[n-]1 ZINC000372421891 393447411 /nfs/dbraw/zinc/44/74/11/393447411.db2.gz ZSEVSBDHXXHKFG-CQSZACIVSA-N 0 1 266.348 2.632 20 30 CFEDMN C#CCN(CC)C[C@H](O)c1ccccc1C(F)(F)F ZINC000299157132 393459791 /nfs/dbraw/zinc/45/97/91/393459791.db2.gz JICFFYXLWFPAOD-ZDUSSCGKSA-N 0 1 271.282 2.694 20 30 CFEDMN C=CCCCCC[N@H+]1CCc2ncnc(N(C)C)c2C1 ZINC000373911019 393477494 /nfs/dbraw/zinc/47/74/94/393477494.db2.gz KREHINNUIVVTCQ-UHFFFAOYSA-N 0 1 274.412 2.647 20 30 CFEDMN C=CCCCCCN1CCc2ncnc(N(C)C)c2C1 ZINC000373911019 393477503 /nfs/dbraw/zinc/47/75/03/393477503.db2.gz KREHINNUIVVTCQ-UHFFFAOYSA-N 0 1 274.412 2.647 20 30 CFEDMN C[C@@H]1C[C@H](C(=O)Nc2nc(C3CCC3)n[nH]2)CCC1=O ZINC000329545661 393542809 /nfs/dbraw/zinc/54/28/09/393542809.db2.gz ZQFRQMCHTRNGSC-PSASIEDQSA-N 0 1 276.340 2.666 20 30 CFEDMN C[C@@H]1C[C@H](C(=O)Nc2n[nH]c(C3CCC3)n2)CCC1=O ZINC000329545661 393542814 /nfs/dbraw/zinc/54/28/14/393542814.db2.gz ZQFRQMCHTRNGSC-PSASIEDQSA-N 0 1 276.340 2.666 20 30 CFEDMN Cc1cnn([C@@H]2CCCN(C([O-])=[NH+]C[C@@H]3CC3(C)C)C2)c1 ZINC000329425379 393533677 /nfs/dbraw/zinc/53/36/77/393533677.db2.gz INRNFINYRWNSQH-UONOGXRCSA-N 0 1 290.411 2.789 20 30 CFEDMN CC1(C)CCCC[C@@H]1NC([O-])=[NH+][C@@H]1CCc2c[nH]nc2C1 ZINC000329822531 393549586 /nfs/dbraw/zinc/54/95/86/393549586.db2.gz HDCDMKMQVDFXDT-OCCSQVGLSA-N 0 1 290.411 2.739 20 30 CFEDMN CC1(C)CCCC[C@@H]1[NH+]=C([O-])N[C@@H]1CCc2c[nH]nc2C1 ZINC000329822531 393549590 /nfs/dbraw/zinc/54/95/90/393549590.db2.gz HDCDMKMQVDFXDT-OCCSQVGLSA-N 0 1 290.411 2.739 20 30 CFEDMN CC(C)[C@@H]1CCCN1C(=O)N[C@H]1CCCc2cn[nH]c21 ZINC000330122153 393551526 /nfs/dbraw/zinc/55/15/26/393551526.db2.gz HFARDXGCAAYDRG-STQMWFEESA-N 0 1 276.384 2.822 20 30 CFEDMN COC(=O)C[C@@H]1CCCCN1Cc1cc(C#N)ccc1F ZINC000048739203 393597682 /nfs/dbraw/zinc/59/76/82/393597682.db2.gz WZNLDWCKHKVXBB-AWEZNQCLSA-N 0 1 290.338 2.615 20 30 CFEDMN Cc1cccc(CN(C)Cc2ccnc(C#N)c2)c1 ZINC000068765934 393635017 /nfs/dbraw/zinc/63/50/17/393635017.db2.gz FWTBUVZZQRBUOZ-UHFFFAOYSA-N 0 1 251.333 2.894 20 30 CFEDMN C=C(C)C(C)(C)C(=O)N1CCN(C2CCCC2)CC1 ZINC000335115566 393644431 /nfs/dbraw/zinc/64/44/31/393644431.db2.gz IKDWRZYCAGPAIS-UHFFFAOYSA-N 0 1 264.413 2.676 20 30 CFEDMN C=CCCCCCN1CCN(c2ncccc2C#N)CC1 ZINC000193293457 393648022 /nfs/dbraw/zinc/64/80/22/393648022.db2.gz FTZIUYYKKZJOOZ-UHFFFAOYSA-N 0 1 284.407 2.822 20 30 CFEDMN C[C@@H]1OCC[C@]12CN(CCC1(C#N)CCCCC1)CCO2 ZINC000411659310 393736170 /nfs/dbraw/zinc/73/61/70/393736170.db2.gz OYQUMKPWVJCEOK-RDJZCZTQSA-N 0 1 292.423 2.730 20 30 CFEDMN N#CCN1CCC[C@@H]1c1nc2ccc(Cl)cc2[nH]1 ZINC000335712179 393692283 /nfs/dbraw/zinc/69/22/83/393692283.db2.gz PKDUTBSBNVJEJM-GFCCVEGCSA-N 0 1 260.728 2.877 20 30 CFEDMN CC1(C)[C@@H](O)CCN1CC#Cc1cccc(Cl)c1 ZINC000336030012 393715192 /nfs/dbraw/zinc/71/51/92/393715192.db2.gz PHMNOYXNHNJKAZ-AWEZNQCLSA-N 0 1 263.768 2.537 20 30 CFEDMN C[C@H]1CCN(Cc2cc(C#N)cs2)C[C@@H]1n1ccnc1 ZINC000091960977 393785286 /nfs/dbraw/zinc/78/52/86/393785286.db2.gz FACOMTLLLBHBAS-WFASDCNBSA-N 0 1 286.404 2.899 20 30 CFEDMN C=CCCN1CCN(c2ccc(C#N)cc2Cl)CC1 ZINC000338541422 393790161 /nfs/dbraw/zinc/79/01/61/393790161.db2.gz GLIUDAGYGJLSFM-UHFFFAOYSA-N 0 1 275.783 2.910 20 30 CFEDMN CN(CCC#N)c1ccc(CN2CCOC[C@@H]2C2CC2)cc1 ZINC000093645673 393803399 /nfs/dbraw/zinc/80/33/99/393803399.db2.gz CYAHMXIWNYRIEJ-GOSISDBHSA-N 0 1 299.418 2.647 20 30 CFEDMN N#CCCOCCN[C@H](c1ccccc1)c1ccccn1 ZINC000339024057 393811480 /nfs/dbraw/zinc/81/14/80/393811480.db2.gz RJRAYJMDOWLSKF-QGZVFWFLSA-N 0 1 281.359 2.691 20 30 CFEDMN CCOC(=O)[C@@H]1CN([C@@H]2CC[C@H](C#N)C2)Cc2ccccc21 ZINC000339042884 393812707 /nfs/dbraw/zinc/81/27/07/393812707.db2.gz CIRJQHXUZNSJMJ-YSVLISHTSA-N 0 1 298.386 2.841 20 30 CFEDMN N#Cc1ccnc(N2CCc3cnccc32)c1Cl ZINC000342789800 393870177 /nfs/dbraw/zinc/87/01/77/393870177.db2.gz PHDBPOBUSMEOOE-UHFFFAOYSA-N 0 1 256.696 2.696 20 30 CFEDMN COCC1(C#N)CCN(c2ccnc(C)c2Cl)CC1 ZINC000343142855 393880399 /nfs/dbraw/zinc/88/03/99/393880399.db2.gz UAHBIROOEFIGNS-UHFFFAOYSA-N 0 1 279.771 2.800 20 30 CFEDMN C[C@@H](CO)N(Cc1cccc(F)c1C#N)CC1CCC1 ZINC000428956280 393926788 /nfs/dbraw/zinc/92/67/88/393926788.db2.gz NEFXCNPHGYWKCL-LBPRGKRZSA-N 0 1 276.355 2.680 20 30 CFEDMN C=CCNC(=O)CN(C1CC1)[C@@H]1CCCc2ccccc21 ZINC000120962985 393944895 /nfs/dbraw/zinc/94/48/95/393944895.db2.gz ATEQHZWNMMAHGV-QGZVFWFLSA-N 0 1 284.403 2.831 20 30 CFEDMN C=CCOCCCN1CCO[C@]2(CCc3ccccc32)C1 ZINC000348057944 393947041 /nfs/dbraw/zinc/94/70/41/393947041.db2.gz VAUJGKSJSGMQRQ-GOSISDBHSA-N 0 1 287.403 2.753 20 30 CFEDMN C[C@H](NCC(=O)N[C@@H]1CCCC[C@H]1C)c1ccc(C#N)cc1 ZINC000271701999 394021525 /nfs/dbraw/zinc/02/15/25/394021525.db2.gz UGILUVNBAANYJQ-JKIFEVAISA-N 0 1 299.418 2.904 20 30 CFEDMN Cc1ccc(C=Cc2n[nH]c(SCCC#N)n2)o1 ZINC000349259932 393965897 /nfs/dbraw/zinc/96/58/97/393965897.db2.gz ZXDHBVXLDKLJRE-AATRIKPKSA-N 0 1 260.322 2.882 20 30 CFEDMN N#Cc1ccc(C(=O)Nc2cccc(-c3nnc[nH]3)c2)s1 ZINC000487050390 393982015 /nfs/dbraw/zinc/98/20/15/393982015.db2.gz UHXAYPJKVTWCOV-UHFFFAOYSA-N 0 1 295.327 2.657 20 30 CFEDMN C#C[C@H](CC)NCc1nc(C(C)C)n2ccccc12 ZINC000491668581 394055932 /nfs/dbraw/zinc/05/59/32/394055932.db2.gz ZDENSWKZOLYECT-CYBMUJFWSA-N 0 1 255.365 2.959 20 30 CFEDMN N#Cc1ccc(CN(CCCCO)C2CC2)c(Cl)c1 ZINC000439452539 394115973 /nfs/dbraw/zinc/11/59/73/394115973.db2.gz NXHPRRCJGWRKTB-UHFFFAOYSA-N 0 1 278.783 2.949 20 30 CFEDMN C=CCN1CC[C@@H](N2CC=C(c3cccc(C)c3)CC2)C1=O ZINC000282078924 394120710 /nfs/dbraw/zinc/12/07/10/394120710.db2.gz UGYMUKPTCDLHLM-GOSISDBHSA-N 0 1 296.414 2.871 20 30 CFEDMN C[C@H](c1ccc(C#N)cc1)N(C)Cc1cnc(N(C)C)nc1 ZINC000130908139 394121879 /nfs/dbraw/zinc/12/18/79/394121879.db2.gz DVGQPVICJZIUCZ-CYBMUJFWSA-N 0 1 295.390 2.607 20 30 CFEDMN CCC[C@H]1CN(CCCOc2cccc(C#N)c2)CCO1 ZINC000131394124 394132733 /nfs/dbraw/zinc/13/27/33/394132733.db2.gz SCMLMAVJDKWZTG-KRWDZBQOSA-N 0 1 288.391 2.828 20 30 CFEDMN CC(C)(CCC#N)CNC(=O)c1cc(F)cc2nc[nH]c21 ZINC000360429137 394151805 /nfs/dbraw/zinc/15/18/05/394151805.db2.gz YJHUATNTCAGLLZ-UHFFFAOYSA-N 0 1 288.326 2.762 20 30 CFEDMN COC(=O)[C@H]1C[C@H](C)CCN1CCCC(C)(C)C#N ZINC000360539851 394154014 /nfs/dbraw/zinc/15/40/14/394154014.db2.gz JXCJHXYBSNIGSV-CHWSQXEVSA-N 0 1 266.385 2.590 20 30 CFEDMN CCc1ncc(CNCc2ccc(C#N)s2)s1 ZINC000421353761 394196447 /nfs/dbraw/zinc/19/64/47/394196447.db2.gz QGELXTPYADVXRI-UHFFFAOYSA-N 0 1 263.391 2.928 20 30 CFEDMN C=CCN1CC[C@@H](N(C)Cc2ccccc2C2CC2)C1=O ZINC000684966875 542880307 /nfs/dbraw/zinc/88/03/07/542880307.db2.gz PRSWZHRWSMUYNX-QGZVFWFLSA-N 0 1 284.403 2.783 20 30 CFEDMN C=CCN1CC[C@H](N(C)Cc2ccccc2C2CC2)C1=O ZINC000684966874 542880483 /nfs/dbraw/zinc/88/04/83/542880483.db2.gz PRSWZHRWSMUYNX-KRWDZBQOSA-N 0 1 284.403 2.783 20 30 CFEDMN C=CC[C@@H](CC)NC(=O)c1c(C)n[nH]c1C(F)(F)F ZINC000684987258 542883979 /nfs/dbraw/zinc/88/39/79/542883979.db2.gz DERVNYNAXFNDBA-MRVPVSSYSA-N 0 1 275.274 2.821 20 30 CFEDMN CC(C)CCCN1CCN(c2ncccc2C#N)CC1 ZINC000275682108 135111600 /nfs/dbraw/zinc/11/16/00/135111600.db2.gz HMUZFMWOGHORHO-UHFFFAOYSA-N 0 1 272.396 2.511 20 30 CFEDMN COc1cccc([C@H](CNCc2ccc(C#N)o2)OC)c1 ZINC000527734384 394401756 /nfs/dbraw/zinc/40/17/56/394401756.db2.gz GIGUROJHWDAYRO-INIZCTEOSA-N 0 1 286.331 2.637 20 30 CFEDMN C[C@@H](c1cccc(C#N)c1)N1CC[C@H]2CC[C@@H](C1)[S@]2=O ZINC000528787053 394405958 /nfs/dbraw/zinc/40/59/58/394405958.db2.gz YYVPUKACLKABBR-DVNRBFFJSA-N 0 1 288.416 2.605 20 30 CFEDMN CC(C)[C@H](NCC#Cc1ccccc1)[C@H](O)C(F)(F)F ZINC000685413877 542909778 /nfs/dbraw/zinc/90/97/78/542909778.db2.gz TWYHYGFXLHVXKO-KBPBESRZSA-N 0 1 285.309 2.576 20 30 CFEDMN C[C@@H](NCCOC[C@@H]1CCCO1)c1ccc(C#N)cc1F ZINC000543762840 394742640 /nfs/dbraw/zinc/74/26/40/394742640.db2.gz ORPCOCTVURHCFL-OCCSQVGLSA-N 0 1 292.354 2.544 20 30 CFEDMN COC(=O)c1cccc(CN(C)[C@H](C)C2CC2)c1C#N ZINC000555672727 394980210 /nfs/dbraw/zinc/98/02/10/394980210.db2.gz XAMBHSRETMHGCW-LLVKDONJSA-N 0 1 272.348 2.575 20 30 CFEDMN COc1ccc(C(=O)C(C#N)c2nc(C3CC3)cs2)cn1 ZINC000647373336 395317881 /nfs/dbraw/zinc/31/78/81/395317881.db2.gz GJZYIGGTQCGULK-LLVKDONJSA-N 0 1 299.355 2.914 20 30 CFEDMN C=CCN(C(=O)CCCCc1cn[nH]n1)c1ccccc1 ZINC000647742032 395423601 /nfs/dbraw/zinc/42/36/01/395423601.db2.gz XRFDDULGDVZUOC-UHFFFAOYSA-N 0 1 284.363 2.737 20 30 CFEDMN C=C(C)[C@@H](CO)N1CCCN(c2ccccc2Cl)CC1 ZINC000649601283 395536563 /nfs/dbraw/zinc/53/65/63/395536563.db2.gz NPRTWKDUZVRWQG-MRXNPFEDSA-N 0 1 294.826 2.789 20 30 CFEDMN C=CC1CCN(C(=O)[C@H](N)c2cccc(Cl)c2)CC1 ZINC000648080689 395500074 /nfs/dbraw/zinc/50/00/74/395500074.db2.gz SCGGVTFYOOYBJN-CQSZACIVSA-N 0 1 278.783 2.764 20 30 CFEDMN C=C(C)CN(C)C(=O)NC[C@@H](c1cccs1)N(C)C ZINC000182106421 543027653 /nfs/dbraw/zinc/02/76/53/543027653.db2.gz HJZBAZJWKSZNGO-LBPRGKRZSA-N 0 1 281.425 2.568 20 30 CFEDMN Cc1csc(C(C#N)C(=O)c2ccn(C)c2C)n1 ZINC000194871434 543095480 /nfs/dbraw/zinc/09/54/80/543095480.db2.gz IIDVDJBRFJHXKG-LLVKDONJSA-N 0 1 259.334 2.589 20 30 CFEDMN Cc1csc(C(C#N)C(=O)c2ccn(C)c2C)n1 ZINC000194871424 543095935 /nfs/dbraw/zinc/09/59/35/543095935.db2.gz IIDVDJBRFJHXKG-NSHDSACASA-N 0 1 259.334 2.589 20 30 CFEDMN C=CCOc1ccc(C[N@H+]2[C@H](C)CC[C@@H]2C(=O)[O-])cc1 ZINC000650793626 413163744 /nfs/dbraw/zinc/16/37/44/413163744.db2.gz FBDGSQFOSYBOCT-IUODEOHRSA-N 0 1 275.348 2.689 20 30 CFEDMN C#CCN1CCC[C@@H]1COC(=O)CC(C)(C)C(F)(F)F ZINC000491666168 397581820 /nfs/dbraw/zinc/58/18/20/397581820.db2.gz SZBLAARCNDIPAF-LLVKDONJSA-N 0 1 291.313 2.606 20 30 CFEDMN C=CCOc1cccc(C[N@H+](C)[C@@H](CC)C(=O)[O-])c1 ZINC000650807734 413183336 /nfs/dbraw/zinc/18/33/36/413183336.db2.gz HAALTFSJGKKVSQ-AWEZNQCLSA-N 0 1 263.337 2.546 20 30 CFEDMN N#Cc1cc(CN2CCC[C@@H](c3ccncn3)C2)ccc1F ZINC000363938577 156207891 /nfs/dbraw/zinc/20/78/91/156207891.db2.gz ORPLCGMASAIJFH-CQSZACIVSA-N 0 1 296.349 2.867 20 30 CFEDMN C=CCCn1cc(CN(C)[C@@H](C)C(C)(C)C)nn1 ZINC000653491583 413331384 /nfs/dbraw/zinc/33/13/84/413331384.db2.gz BYIAFNFPMSGMFP-LBPRGKRZSA-N 0 1 250.390 2.721 20 30 CFEDMN N#Cc1ccc(CN2CCOCC3(CCCC3)C2)o1 ZINC000373570812 157007450 /nfs/dbraw/zinc/00/74/50/157007450.db2.gz YFYJOVIKSMRKFB-UHFFFAOYSA-N 0 1 260.337 2.544 20 30 CFEDMN CO[C@@H]1CCC[N@@H+](Cc2ccc(C#N)cc2F)CC1 ZINC000374690566 157150337 /nfs/dbraw/zinc/15/03/37/157150337.db2.gz AIXUQSDZZOFLLT-CQSZACIVSA-N 0 1 262.328 2.698 20 30 CFEDMN C=CCCn1cc(CN2CC[C@H](c3ccccc3)C2)nn1 ZINC000653525152 413351804 /nfs/dbraw/zinc/35/18/04/413351804.db2.gz COXPZXMECAEVCR-INIZCTEOSA-N 0 1 282.391 2.844 20 30 CFEDMN C=C(C)CN(Cc1ccc(CO)o1)[C@@H]1COC(C)(C)C1 ZINC000660535223 413375535 /nfs/dbraw/zinc/37/55/35/413375535.db2.gz AAJGLHZZFAPTRF-ZDUSSCGKSA-N 0 1 279.380 2.718 20 30 CFEDMN CC[C@@H](C(=O)N=c1[nH]n(C)cc1C#N)C1CCC(C)CC1 ZINC000359311889 286736066 /nfs/dbraw/zinc/73/60/66/286736066.db2.gz BGLKMSTUCLWJNM-ORHYLEIMSA-N 0 1 288.395 2.505 20 30 CFEDMN C=CCOCCN[C@H](C)c1ncc(-c2ccccc2)n1C ZINC000651322012 413400250 /nfs/dbraw/zinc/40/02/50/413400250.db2.gz SJUJYIFJPAJWDP-CQSZACIVSA-N 0 1 285.391 2.940 20 30 CFEDMN N#Cc1cc(NC(=O)c2cc3[nH]cnc3cc2F)ccc1F ZINC000342406146 161623232 /nfs/dbraw/zinc/62/32/32/161623232.db2.gz FMIWEWVDUBHMDW-UHFFFAOYSA-N 0 1 298.252 2.965 20 30 CFEDMN N#Cc1csc(CN[C@H](CO)c2cccc(F)c2)c1 ZINC000344340134 162015732 /nfs/dbraw/zinc/01/57/32/162015732.db2.gz KUKRLCQHXUPLQD-CQSZACIVSA-N 0 1 276.336 2.582 20 30 CFEDMN C=CCCn1cc(CN[C@@H](C)Cc2ccsc2)nn1 ZINC000657324098 413446423 /nfs/dbraw/zinc/44/64/23/413446423.db2.gz SGAVBTSOIAYPHJ-LBPRGKRZSA-N 0 1 276.409 2.637 20 30 CFEDMN CCC1(CC)[C@H](NCc2nc(C#N)cs2)C[C@H]1OC ZINC000352811268 163238316 /nfs/dbraw/zinc/23/83/16/163238316.db2.gz RKSACPCYCPQCQD-VXGBXAGGSA-N 0 1 279.409 2.698 20 30 CFEDMN COc1cccc(C[C@@H](C)NCc2nc(C#N)cs2)c1 ZINC000352836401 163246838 /nfs/dbraw/zinc/24/68/38/163246838.db2.gz SZWKMLSWJHTLPQ-LLVKDONJSA-N 0 1 287.388 2.744 20 30 CFEDMN CC(C)c1nc(CCNCc2nc(C#N)cs2)cs1 ZINC000352835490 163246953 /nfs/dbraw/zinc/24/69/53/163246953.db2.gz PTINEYOGISHNMX-UHFFFAOYSA-N 0 1 292.433 2.927 20 30 CFEDMN C[C@H](NCc1ccc(OCC#N)cc1)c1ccccn1 ZINC000034992557 171919958 /nfs/dbraw/zinc/91/99/58/171919958.db2.gz VZDBNXCBTOILOX-ZDUSSCGKSA-N 0 1 267.332 2.835 20 30 CFEDMN C=CCCCN(C)[C@@H](c1nnc[nH]1)c1ccccc1 ZINC000660759965 413543068 /nfs/dbraw/zinc/54/30/68/413543068.db2.gz CVZROLSLPHCTCB-CQSZACIVSA-N 0 1 256.353 2.792 20 30 CFEDMN C=CCCn1cc(CNCC2(OC)CCC(C)CC2)nn1 ZINC000657456306 413628549 /nfs/dbraw/zinc/62/85/49/413628549.db2.gz FYPSJHPNYBWFLI-UHFFFAOYSA-N 0 1 292.427 2.539 20 30 CFEDMN C=CC[C@H]1CCCN(C(=O)N[C@H]2CCCc3cn[nH]c32)C1 ZINC000664471520 413792681 /nfs/dbraw/zinc/79/26/81/413792681.db2.gz UAZLYGKEWURQQQ-JSGCOSHPSA-N 0 1 288.395 2.785 20 30 CFEDMN C=CCN(CC=C)C(=O)CN1CCC(c2ccco2)CC1 ZINC000661165011 413798763 /nfs/dbraw/zinc/79/87/63/413798763.db2.gz NXVZTPUKJPJDHY-UHFFFAOYSA-N 0 1 288.391 2.660 20 30 CFEDMN C=CCCNCc1cccc(Cl)c1S(=O)(=O)CC ZINC000657582909 413768936 /nfs/dbraw/zinc/76/89/36/413768936.db2.gz MZNZWHQXMJODSP-UHFFFAOYSA-N 0 1 287.812 2.799 20 30 CFEDMN COCC#CCN(Cc1ccccc1)[C@H]1COC(C)(C)C1 ZINC000661196088 413816987 /nfs/dbraw/zinc/81/69/87/413816987.db2.gz BAQFGDXRNRCFBI-QGZVFWFLSA-N 0 1 287.403 2.706 20 30 CFEDMN C=CCOCCCNCc1ncc(C(F)(F)F)s1 ZINC000657658955 413828571 /nfs/dbraw/zinc/82/85/71/413828571.db2.gz LKQLYLWFIMHQJH-UHFFFAOYSA-N 0 1 280.315 2.844 20 30 CFEDMN C=C(C)C[N@@H+](CCC(=O)[O-])Cc1cccc(F)c1F ZINC000652483818 413980130 /nfs/dbraw/zinc/98/01/30/413980130.db2.gz URFWKCLQTHFAAM-UHFFFAOYSA-N 0 1 269.291 2.818 20 30 CFEDMN C=CCCC[C@@H](C)[N@@H+]1C[C@@H](C(=O)[O-])[C@H](C2CC2)C1 ZINC000652513044 413998587 /nfs/dbraw/zinc/99/85/87/413998587.db2.gz UTQXROOPZDLERC-KWCYVHTRSA-N 0 1 251.370 2.774 20 30 CFEDMN C=C(C)[C@H](N[C@@H](C)Cn1cncn1)c1ccc(F)c(F)c1 ZINC000657981955 414086431 /nfs/dbraw/zinc/08/64/31/414086431.db2.gz JGJDSJJBHNCOGN-NHYWBVRUSA-N 0 1 292.333 2.852 20 30 CFEDMN C=CCCC1(CNC(=O)NCCN2CCC2)CCCC1 ZINC000665589058 414382481 /nfs/dbraw/zinc/38/24/81/414382481.db2.gz KYFUCVRYILJFNK-UHFFFAOYSA-N 0 1 279.428 2.518 20 30 CFEDMN C=CCCC1(CNC(=O)N[C@H](C)c2nnc[nH]2)CCCC1 ZINC000665589249 414383131 /nfs/dbraw/zinc/38/31/31/414383131.db2.gz PROHUYPXMWVNMD-GFCCVEGCSA-N 0 1 291.399 2.692 20 30 CFEDMN C=CCn1c(C)cc(C(=O)CN2CC[C@H]3C[C@H]3C2)c1C ZINC000661976226 414327420 /nfs/dbraw/zinc/32/74/20/414327420.db2.gz UGMNUDFBIYLTFO-GJZGRUSLSA-N 0 1 272.392 2.815 20 30 CFEDMN C=CCC[C@H](CCC)[NH2+]Cc1nnc([C@@H]2CCCO2)[n-]1 ZINC000655796807 414440106 /nfs/dbraw/zinc/44/01/06/414440106.db2.gz JEMWRAXVTWIBEO-STQMWFEESA-N 0 1 278.400 2.881 20 30 CFEDMN C=CCN(CCN1C[C@@H](C)O[C@H](C)C1)Cc1cccs1 ZINC000659816835 414566610 /nfs/dbraw/zinc/56/66/10/414566610.db2.gz VISVCNVJFBGVFX-HUUCEWRRSA-N 0 1 294.464 2.845 20 30 CFEDMN N#CC1(CN2CCC(n3cc(Cl)cn3)CC2)CCC1 ZINC000334797687 225301356 /nfs/dbraw/zinc/30/13/56/225301356.db2.gz KFCWJMUMQYDANV-UHFFFAOYSA-N 0 1 278.787 2.867 20 30 CFEDMN Cc1cccc2nc([C@H](C#N)C(=O)c3cccn3C)[nH]c21 ZINC000345434223 225524573 /nfs/dbraw/zinc/52/45/73/225524573.db2.gz SNBYHEJRYLYGEV-LLVKDONJSA-N 0 1 278.315 2.700 20 30 CFEDMN C[C@H]1C[C@@H](C(=O)Nc2ccc3nc[nH]c3c2)CC(=O)N1 ZINC000329030571 227265547 /nfs/dbraw/zinc/26/55/47/227265547.db2.gz AVIQRZCTOLBGRW-DTWKUNHWSA-N 0 1 272.308 2.906 20 30 CFEDMN O=C(Nc1ccc2nc[nH]c2c1)[C@H]1CCNC(=O)C1 ZINC000329967001 228001042 /nfs/dbraw/zinc/00/10/42/228001042.db2.gz VVPBYHKJPFBQPE-QMMMGPOBSA-N 0 1 258.281 2.517 20 30 CFEDMN N#Cc1cccc(NC(=O)CCN2CCO[C@H](C3CC3)C2)c1 ZINC000330111753 228041807 /nfs/dbraw/zinc/04/18/07/228041807.db2.gz BJMKSMFDTLZTRZ-INIZCTEOSA-N 0 1 299.374 2.647 20 30 CFEDMN N#CC1(F)CCN(C(=O)c2cc(-c3ccccc3)[nH]n2)CC1 ZINC000355968483 228071368 /nfs/dbraw/zinc/07/13/68/228071368.db2.gz UJFMZXGKKJVICO-UHFFFAOYSA-N 0 1 298.321 2.545 20 30 CFEDMN CCn1cc(-c2[nH]ncc2C(=O)N[C@@H]2C=CCCC2)cn1 ZINC000330227713 228073042 /nfs/dbraw/zinc/07/30/42/228073042.db2.gz CDSVRLPQQWLRTD-GFCCVEGCSA-N 0 1 285.351 2.706 20 30 CFEDMN C[C@H]1C[C@@]1(C#N)C(=O)Nc1ccc2nc(C(F)F)[nH]c2c1 ZINC000336188370 228208774 /nfs/dbraw/zinc/20/87/74/228208774.db2.gz DKFAHZCAPUTNPT-WJWGPLDTSA-N 0 1 290.273 2.989 20 30 CFEDMN CC(C)c1nc([C@H]2CCCCN2CCCC#N)n[nH]1 ZINC000330827553 260092304 /nfs/dbraw/zinc/09/23/04/260092304.db2.gz GCLLWUXVRJAEMD-GFCCVEGCSA-N 0 1 261.373 2.759 20 30 CFEDMN C=CCCCN1CCN(C(=O)c2cccc(F)c2)CC1 ZINC000117872656 260117262 /nfs/dbraw/zinc/11/72/62/260117262.db2.gz QXFRVOMQBVFROR-UHFFFAOYSA-N 0 1 276.355 2.550 20 30 CFEDMN C#C[C@@H](C)[N@@H+](C)Cc1ccc(Br)s1 ZINC000306801822 260251814 /nfs/dbraw/zinc/25/18/14/260251814.db2.gz SAFRAJZIWNJNGK-MRVPVSSYSA-N 0 1 258.184 2.964 20 30 CFEDMN C#C[C@@H](C)N(C)Cc1ccc(Br)s1 ZINC000306801822 260251816 /nfs/dbraw/zinc/25/18/16/260251816.db2.gz SAFRAJZIWNJNGK-MRVPVSSYSA-N 0 1 258.184 2.964 20 30 CFEDMN C[C@@H](C(=O)N(CCC#N)c1ccccc1)N1CCC[C@@H]1C ZINC000072875992 260279063 /nfs/dbraw/zinc/27/90/63/260279063.db2.gz IYMMQFMSHQUJPX-GJZGRUSLSA-N 0 1 285.391 2.806 20 30 CFEDMN C=C[C@@H]1CCCCN1Cc1cnc(N2CCOCC2)s1 ZINC000426570750 260866590 /nfs/dbraw/zinc/86/65/90/260866590.db2.gz OKCSITCEAHLTRG-CYBMUJFWSA-N 0 1 293.436 2.520 20 30 CFEDMN N#CCCCN(Cc1cccc([N+](=O)[O-])c1)C1CC1 ZINC000153316704 261076690 /nfs/dbraw/zinc/07/66/90/261076690.db2.gz IWQNQFDAVJNVSO-UHFFFAOYSA-N 0 1 259.309 2.863 20 30 CFEDMN CC(C)CNC(=O)C(C#N)c1nc(C(C)C)cs1 ZINC000155768773 261107542 /nfs/dbraw/zinc/10/75/42/261107542.db2.gz ZPOVPTLYOCGJET-SNVBAGLBSA-N 0 1 265.382 2.646 20 30 CFEDMN Cn1c2ccccc2nc1[C@H](C#N)C(=O)c1cscn1 ZINC000103329181 261280460 /nfs/dbraw/zinc/28/04/60/261280460.db2.gz DKSYHGJOFWISBL-SECBINFHSA-N 0 1 282.328 2.520 20 30 CFEDMN Cn1c2ccccc2nc1C(C#N)C(=O)c1cscn1 ZINC000103329181 261280461 /nfs/dbraw/zinc/28/04/61/261280461.db2.gz DKSYHGJOFWISBL-SECBINFHSA-N 0 1 282.328 2.520 20 30 CFEDMN C[C@@H]1CCC[C@@H](C)N1CC(=O)N(C)C1(C#N)CCCCC1 ZINC000104078374 261290199 /nfs/dbraw/zinc/29/01/99/261290199.db2.gz AFDCQJYJHHHOGA-HUUCEWRRSA-N 0 1 291.439 2.934 20 30 CFEDMN N#C[C@H](c1ccccc1)N1CCN([C@H]2C=CCCC2)CC1 ZINC000176151415 261640609 /nfs/dbraw/zinc/64/06/09/261640609.db2.gz CXDDTJLTKOXPOR-ZWKOTPCHSA-N 0 1 281.403 2.978 20 30 CFEDMN C=CCCOCCNCc1cc([N+](=O)[O-])ccc1Cl ZINC000120811924 262235416 /nfs/dbraw/zinc/23/54/16/262235416.db2.gz VTYKZJASYGQLII-UHFFFAOYSA-N 0 1 284.743 2.931 20 30 CFEDMN CCCCCCCS(=O)(=O)Nc1cnc(Cl)cn1 ZINC000194819059 262242917 /nfs/dbraw/zinc/24/29/17/262242917.db2.gz ZKBHOJBAJLSBCF-UHFFFAOYSA-N 0 1 291.804 2.842 20 30 CFEDMN C=CC1CCN([C@@H](C)C(=O)NCc2cccs2)CC1 ZINC000111257704 262257963 /nfs/dbraw/zinc/25/79/63/262257963.db2.gz UNDIPZFMRIPSBX-LBPRGKRZSA-N 0 1 278.421 2.651 20 30 CFEDMN C=CC1CCN([C@H](C)C(=O)NCc2cccs2)CC1 ZINC000111257706 262258600 /nfs/dbraw/zinc/25/86/00/262258600.db2.gz UNDIPZFMRIPSBX-GFCCVEGCSA-N 0 1 278.421 2.651 20 30 CFEDMN C=CC1CCN([C@@H](C)C(=O)N2CCc3ccccc32)CC1 ZINC000111258375 262258820 /nfs/dbraw/zinc/25/88/20/262258820.db2.gz XLSVISFQQIBQCH-AWEZNQCLSA-N 0 1 284.403 2.862 20 30 CFEDMN C=CC[C@@H](C(=O)Nc1n[nH]c(CC)n1)c1ccccc1 ZINC000186552479 262317213 /nfs/dbraw/zinc/31/72/13/262317213.db2.gz QACGWDNKTTYMGM-GFCCVEGCSA-N 0 1 270.336 2.666 20 30 CFEDMN C=CC[C@@H](C(=O)Nc1nc(CC)n[nH]1)c1ccccc1 ZINC000186552479 262317215 /nfs/dbraw/zinc/31/72/15/262317215.db2.gz QACGWDNKTTYMGM-GFCCVEGCSA-N 0 1 270.336 2.666 20 30 CFEDMN O[C@@H]1CCN(CC#Cc2ccccc2)Cc2ccccc21 ZINC000365257024 262355676 /nfs/dbraw/zinc/35/56/76/262355676.db2.gz QAAAWVXOELTPIL-LJQANCHMSA-N 0 1 277.367 2.977 20 30 CFEDMN C#CCC(C)(C)C(=O)NCC1(C)CN(Cc2ccccc2)C1 ZINC000365562088 262370225 /nfs/dbraw/zinc/37/02/25/262370225.db2.gz GMEPDJJHFVKQMT-UHFFFAOYSA-N 0 1 298.430 2.674 20 30 CFEDMN CCOc1ccccc1OCCN1CCC(C#N)CC1 ZINC000032121004 262377465 /nfs/dbraw/zinc/37/74/65/262377465.db2.gz WWYWFJMSNMMMEZ-UHFFFAOYSA-N 0 1 274.364 2.700 20 30 CFEDMN CC1(CN2CCC[C@@H]2[C@H](C#N)c2ccccc2)COC1 ZINC000336822178 262397395 /nfs/dbraw/zinc/39/73/95/262397395.db2.gz KPYMWXPVTHYGQT-HZPDHXFCSA-N 0 1 270.376 2.795 20 30 CFEDMN CCC1(C)CCN([C@H](C)C(=O)N[C@@](C)(C#N)C(C)C)CC1 ZINC000337675953 262466538 /nfs/dbraw/zinc/46/65/38/262466538.db2.gz FTSTZPNMBYGQRN-PBHICJAKSA-N 0 1 293.455 2.941 20 30 CFEDMN COC(=O)c1ccc(CN[C@@H](CCC#N)c2ccccc2)[nH]1 ZINC000272763063 263008726 /nfs/dbraw/zinc/00/87/26/263008726.db2.gz QVPJZOROYDWUJO-HNNXBMFYSA-N 0 1 297.358 2.936 20 30 CFEDMN COc1ccc(OC(F)F)c(CNCCCC#N)c1 ZINC000273058072 263011872 /nfs/dbraw/zinc/01/18/72/263011872.db2.gz LTLSDHVQNTVSJF-UHFFFAOYSA-N 0 1 270.279 2.690 20 30 CFEDMN COc1ccc(CNCCCC#N)c(Cl)c1OC ZINC000273071147 263012200 /nfs/dbraw/zinc/01/22/00/263012200.db2.gz OMPRVMUGAHQTEY-UHFFFAOYSA-N 0 1 268.744 2.751 20 30 CFEDMN C[C@@H](CCC#N)N1CCCN(C(=O)c2ccsc2)CC1 ZINC000276288094 263035625 /nfs/dbraw/zinc/03/56/25/263035625.db2.gz HEFYCFNHYHXMDM-ZDUSSCGKSA-N 0 1 291.420 2.588 20 30 CFEDMN C=CCC1(C(=O)NCc2n[nH]c(CC)n2)CCCCC1 ZINC000452178863 263043942 /nfs/dbraw/zinc/04/39/42/263043942.db2.gz LULWGCVPRQNHLD-UHFFFAOYSA-N 0 1 276.384 2.510 20 30 CFEDMN N#CC1CCC(CNC(=O)Cc2[nH]nc3ccccc32)CC1 ZINC000282513958 263077214 /nfs/dbraw/zinc/07/72/14/263077214.db2.gz ZEQDCPALUBQREP-UHFFFAOYSA-N 0 1 296.374 2.552 20 30 CFEDMN Cc1nc2cccc(C(=O)N[C@H](C#N)C(C)(C)C)c2[nH]1 ZINC000284476536 263087154 /nfs/dbraw/zinc/08/71/54/263087154.db2.gz SVKQTVNSUXXYQI-GFCCVEGCSA-N 0 1 270.336 2.539 20 30 CFEDMN C[C@@H](NCCCSCC#N)c1c(F)cncc1F ZINC000285594503 263094183 /nfs/dbraw/zinc/09/41/83/263094183.db2.gz IYDMZSURXLUYLN-SECBINFHSA-N 0 1 271.336 2.657 20 30 CFEDMN N#C[C@H]1CC[C@@H](Sc2nc(-c3ccccc3O)n[nH]2)C1 ZINC000287573312 263102104 /nfs/dbraw/zinc/10/21/04/263102104.db2.gz PWLIVPBPBOIGGV-VHSXEESVSA-N 0 1 286.360 2.962 20 30 CFEDMN Cc1ccccc1N1CCN([C@@H]2CC[C@H](C#N)C2)CC1 ZINC000293612792 263144085 /nfs/dbraw/zinc/14/40/85/263144085.db2.gz VRWBGGGLRBGQAX-JKSUJKDBSA-N 0 1 269.392 2.809 20 30 CFEDMN CN(Cc1cn(C)nc1C(F)(F)F)[C@@H]1CC[C@@H](C#N)C1 ZINC000293886981 263151912 /nfs/dbraw/zinc/15/19/12/263151912.db2.gz UQHGODAZVFBILT-MWLCHTKSSA-N 0 1 286.301 2.563 20 30 CFEDMN N#C[C@]1(C(=O)Nc2ccc3nc[nH]c3c2)CC12CCCC2 ZINC000294689228 263166358 /nfs/dbraw/zinc/16/63/58/263166358.db2.gz KMBPAWJQVCGQQN-INIZCTEOSA-N 0 1 280.331 2.975 20 30 CFEDMN CN(C)Cc1ccnc(NC(=O)[C@]2(C#N)CC23CCCC3)c1 ZINC000295333778 263176173 /nfs/dbraw/zinc/17/61/73/263176173.db2.gz PJLXGJTZNQFFKH-QGZVFWFLSA-N 0 1 298.390 2.556 20 30 CFEDMN C[C@H](C(=O)N(C)CCC#N)N1CCC[C@H]1c1ccsc1 ZINC000298724732 263224757 /nfs/dbraw/zinc/22/47/57/263224757.db2.gz FJQRBIPIURIMAJ-OCCSQVGLSA-N 0 1 291.420 2.646 20 30 CFEDMN CC[C@@H](C(=O)N(CCC#N)c1ccc(C)cc1)N(C)C ZINC000298817314 263226749 /nfs/dbraw/zinc/22/67/49/263226749.db2.gz GGZYEGFULDGCRH-HNNXBMFYSA-N 0 1 273.380 2.582 20 30 CFEDMN CC(C)[C@](C)(C#N)NC(=O)CN1CC[C@H](c2ccccc2)C1 ZINC000299317154 263238759 /nfs/dbraw/zinc/23/87/59/263238759.db2.gz JGTMLCBMARVDRJ-WMZOPIPTSA-N 0 1 299.418 2.530 20 30 CFEDMN C[C@@H](CCC#N)N(C)Cc1ccc([S@](C)=O)cc1 ZINC000299355513 263240365 /nfs/dbraw/zinc/24/03/65/263240365.db2.gz RBOZZUKVQYGBJB-SGTLLEGYSA-N 0 1 264.394 2.548 20 30 CFEDMN CC#CCN1CCC[C@@H]1c1ccc(OC)c(OC)c1 ZINC000120099569 263281927 /nfs/dbraw/zinc/28/19/27/263281927.db2.gz XZLMPSIQMJGVGP-CQSZACIVSA-N 0 1 259.349 2.864 20 30 CFEDMN C=CCN(CC=C)C(=O)CNC1(c2ccc(F)cc2)CC1 ZINC000341717917 263347526 /nfs/dbraw/zinc/34/75/26/263347526.db2.gz YHCCSBHSNWBJHZ-UHFFFAOYSA-N 0 1 288.366 2.605 20 30 CFEDMN CC(C)[C@H](C)[N@@H+](C)CC(=O)N(C)C1(C#N)CCCCC1 ZINC000341803623 263354111 /nfs/dbraw/zinc/35/41/11/263354111.db2.gz AAPULNABBDQLJT-AWEZNQCLSA-N 0 1 279.428 2.648 20 30 CFEDMN COCC1(C#N)CCN(CCO[C@H]2CCCC[C@H]2C)CC1 ZINC000341978594 263369633 /nfs/dbraw/zinc/36/96/33/263369633.db2.gz AOLSIWHFAYMGMU-CVEARBPZSA-N 0 1 294.439 2.834 20 30 CFEDMN CC(C)c1nc([C@H](C)NC(=O)[C@@H]2CCSC2)n[nH]1 ZINC000328916746 263901342 /nfs/dbraw/zinc/90/13/42/263901342.db2.gz KIJQHHISCULFNR-DTWKUNHWSA-N 0 1 268.386 2.699 20 30 CFEDMN CC(C)(CO)C(C)(C)NC(=O)c1cccc2nc[nH]c21 ZINC000330841690 264065895 /nfs/dbraw/zinc/06/58/95/264065895.db2.gz WOUBGKKCQFGMFT-UHFFFAOYSA-N 0 1 275.352 2.665 20 30 CFEDMN CC[C@H](C)C[C@H](C)[NH+]=C([O-])N1CCC[C@@H](n2cncn2)C1 ZINC000330970258 264091614 /nfs/dbraw/zinc/09/16/14/264091614.db2.gz GBLUOGHBNCRGSG-MELADBBJSA-N 0 1 293.415 2.654 20 30 CFEDMN CC(C)[N@@H+](C)C[C@H](C)NC(=O)c1s[n-]c(=O)c1Cl ZINC000331164504 264144267 /nfs/dbraw/zinc/14/42/67/264144267.db2.gz SHQULZWNPJQCRQ-ZETCQYMHSA-N 0 1 291.804 2.535 20 30 CFEDMN CC(C)CCCNC(=O)N1CCC(c2cnc[nH]2)CC1 ZINC000331217850 264165061 /nfs/dbraw/zinc/16/50/61/264165061.db2.gz GSEJOXAEXOVVHU-UHFFFAOYSA-N 0 1 278.400 2.939 20 30 CFEDMN Cc1n[nH]c(C(C)C)c1C(=O)N[C@@H](C)CC(C)(C)O ZINC000331360413 264209211 /nfs/dbraw/zinc/20/92/11/264209211.db2.gz XUVFMIOZJRDTAH-VIFPVBQESA-N 0 1 267.373 2.696 20 30 CFEDMN C=C1CCN(CC[C@H](C(=O)OC)c2ccccc2)CC1 ZINC000425412870 264291137 /nfs/dbraw/zinc/29/11/37/264291137.db2.gz ZQUZIJPBJJWMMM-INIZCTEOSA-N 0 1 273.376 2.985 20 30 CFEDMN C=CCCCN(C)CCCS(=O)(=O)c1ccccc1 ZINC000076736940 264344048 /nfs/dbraw/zinc/34/40/48/264344048.db2.gz WFWSCULMPHZCEC-UHFFFAOYSA-N 0 1 281.421 2.748 20 30 CFEDMN C=C(C)CN1C[C@@H](c2ccc(F)cc2F)[C@H](C(=O)OC)C1 ZINC000425502870 264363595 /nfs/dbraw/zinc/36/35/95/264363595.db2.gz DKOUKZMZNIBUHN-UONOGXRCSA-N 0 1 295.329 2.729 20 30 CFEDMN CCN(C[C@@H](C)C#N)C(=O)c1cc(-c2cccs2)[nH]n1 ZINC000343288203 264367914 /nfs/dbraw/zinc/36/79/14/264367914.db2.gz WBUXFSKZAUXRFN-JTQLQIEISA-N 0 1 288.376 2.760 20 30 CFEDMN C[C@@H](C#N)C(=O)Nc1ccc2nc(-c3ccccn3)[nH]c2c1 ZINC000349098196 265168298 /nfs/dbraw/zinc/16/82/98/265168298.db2.gz MTFMRBYCULWUEM-JTQLQIEISA-N 0 1 291.314 2.723 20 30 CFEDMN C[C@H](CC#N)N(C)C[C@]1(C)CCN(C(=O)OC(C)(C)C)C1 ZINC000195167890 265304431 /nfs/dbraw/zinc/30/44/31/265304431.db2.gz GJMLAOGQVHJISO-CJNGLKHVSA-N 0 1 295.427 2.867 20 30 CFEDMN C=CCOCCC[N@@H+]1C[C@@H](C2CCCCC2)C[C@H]1C(=O)[O-] ZINC000514617811 266020169 /nfs/dbraw/zinc/02/01/69/266020169.db2.gz YNKQYSGEIBIBGV-HOTGVXAUSA-N 0 1 295.423 2.935 20 30 CFEDMN C[C@@H]1CN(C)C[C@H](C)N1C(=O)C[C@H](CC#N)c1ccccc1 ZINC000356545831 266135482 /nfs/dbraw/zinc/13/54/82/266135482.db2.gz VSHBZZDKTQCORK-UXLLHSPISA-N 0 1 299.418 2.625 20 30 CFEDMN CCN(Cc1cnn(C)c1)[C@H](C)c1ccc(C#N)cc1 ZINC000195084791 266138285 /nfs/dbraw/zinc/13/82/85/266138285.db2.gz XKYMKEVRYAVDPA-CYBMUJFWSA-N 0 1 268.364 2.875 20 30 CFEDMN C=CCn1c(C)cc(C(=O)CN2CC[C@@H](C)C2)c1C ZINC000357203681 266265532 /nfs/dbraw/zinc/26/55/32/266265532.db2.gz LJDOQBTYQAOCHO-GFCCVEGCSA-N 0 1 260.381 2.815 20 30 CFEDMN C=C[C@H](C)NC(=O)c1ccc(CN2CCSCC2)cc1 ZINC000362586158 267011922 /nfs/dbraw/zinc/01/19/22/267011922.db2.gz GIRYAQQKYFMQIX-ZDUSSCGKSA-N 0 1 290.432 2.540 20 30 CFEDMN CC(C)(O)CCN1CCC[C@H]1[C@H](C#N)c1ccccc1 ZINC000362860205 267055178 /nfs/dbraw/zinc/05/51/78/267055178.db2.gz RNZADUZMJPVWPV-CVEARBPZSA-N 0 1 272.392 2.919 20 30 CFEDMN C#CCN1CCC([C@H]2C(=O)Nc3cc(Cl)ccc32)CC1 ZINC000362973425 267069124 /nfs/dbraw/zinc/06/91/24/267069124.db2.gz IMZZQDRPHDGQCV-OAHLLOKOSA-N 0 1 288.778 2.721 20 30 CFEDMN CCN(CCCCC#N)CC(=O)Nc1cccc(OC)c1 ZINC000198680892 267072955 /nfs/dbraw/zinc/07/29/55/267072955.db2.gz XLQJVGCNQAYFLY-UHFFFAOYSA-N 0 1 289.379 2.649 20 30 CFEDMN N#CCSCCCN1CCO[C@@H](C2CCCCC2)C1 ZINC000368827637 267207930 /nfs/dbraw/zinc/20/79/30/267207930.db2.gz YMQJWQRYEWNKLK-OAHLLOKOSA-N 0 1 282.453 2.914 20 30 CFEDMN C[C@H]1CN(c2cccc(C#N)n2)CCN1Cc1ccccc1 ZINC000396421378 267239094 /nfs/dbraw/zinc/23/90/94/267239094.db2.gz UVRJPBWAGUKAOO-HNNXBMFYSA-N 0 1 292.386 2.664 20 30 CFEDMN CCn1nncc1CN[C@H]1CCCCc2cc(C#N)ccc21 ZINC000527913014 267266226 /nfs/dbraw/zinc/26/62/26/267266226.db2.gz HBOSKRHVXQZIBJ-KRWDZBQOSA-N 0 1 295.390 2.727 20 30 CFEDMN CN(CCCC(=O)OC(C)(C)C)Cc1ccc(C#N)cn1 ZINC000516310120 267306228 /nfs/dbraw/zinc/30/62/28/267306228.db2.gz ISXODMPUFDFFQA-UHFFFAOYSA-N 0 1 289.379 2.507 20 30 CFEDMN Cc1nc([C@H]2CCCCN2CC#Cc2ccccc2)n[nH]1 ZINC000377010516 268039990 /nfs/dbraw/zinc/03/99/90/268039990.db2.gz AYEIHFKQCXSOBT-MRXNPFEDSA-N 0 1 280.375 2.692 20 30 CFEDMN Cc1cc(CN(C)Cc2cccn2C)ccc1C#N ZINC000488217796 270342722 /nfs/dbraw/zinc/34/27/22/270342722.db2.gz ZQDLJNDOGIORDC-UHFFFAOYSA-N 0 1 253.349 2.837 20 30 CFEDMN C=C[C@@H](CO)N[C@H](C)c1cc2cccc(OC)c2o1 ZINC000289568172 275750304 /nfs/dbraw/zinc/75/03/04/275750304.db2.gz ATMYGJKHOPXDEN-PWSUYJOCSA-N 0 1 261.321 2.639 20 30 CFEDMN C=CCCN(C)C(=O)NC[C@@H](c1cccs1)N(C)C ZINC000276293460 276884869 /nfs/dbraw/zinc/88/48/69/276884869.db2.gz KCYPPOHOMHQRAG-LBPRGKRZSA-N 0 1 281.425 2.568 20 30 CFEDMN CC(C)(C)[C@@H]1CCN(C(=O)N[C@H]2CCc3nc[nH]c3C2)C1 ZINC000329604396 277232527 /nfs/dbraw/zinc/23/25/27/277232527.db2.gz LSLUFAIGKFOEHD-NEPJUHHUSA-N 0 1 290.411 2.549 20 30 CFEDMN C[C@@H]1[C@H](C)N(C)CCN1c1ccc(C(F)(F)F)c(C#N)n1 ZINC000337023069 278091897 /nfs/dbraw/zinc/09/18/97/278091897.db2.gz SXJPUARYAVAXHP-VHSXEESVSA-N 0 1 298.312 2.501 20 30 CFEDMN CC1(C)CCC[C@]1(O)CNC(=O)[C@H]1CCCN1C1CC1 ZINC000329485946 278249011 /nfs/dbraw/zinc/24/90/11/278249011.db2.gz GEFOZAZJWDVTEP-CJNGLKHVSA-N 0 1 280.412 2.511 20 30 CFEDMN C[C@@H]1[C@@H](C)N(c2nc(C(F)(F)F)ccc2C#N)CCN1C ZINC000356792109 279083395 /nfs/dbraw/zinc/08/33/95/279083395.db2.gz JHHGPXABPCMEKU-NXEZZACHSA-N 0 1 298.312 2.501 20 30 CFEDMN CC(C)N(C(=O)CN[C@H](C)c1ccc(C#N)cc1)C(C)C ZINC000271662231 279287847 /nfs/dbraw/zinc/28/78/47/279287847.db2.gz LJLXQQWDTCWTGF-CQSZACIVSA-N 0 1 287.407 2.854 20 30 CFEDMN C[C@H]1CN(c2cccc(Cl)c2C#N)C[C@H](C)N1C ZINC000126714614 279884527 /nfs/dbraw/zinc/88/45/27/279884527.db2.gz PVESXGHTABJZAM-QWRGUYRKSA-N 0 1 263.772 2.740 20 30 CFEDMN Cn1cc2c(n1)CCC[C@H]2NC1(c2cccc(C#N)c2)CC1 ZINC000551811576 281842115 /nfs/dbraw/zinc/84/21/15/281842115.db2.gz GFWVQHZSIJYPNK-MRXNPFEDSA-N 0 1 292.386 2.948 20 30 CFEDMN C[C@H](c1ccc(C#N)cc1)N1CCC(F)(F)[C@H](CO)C1 ZINC000291818035 290218825 /nfs/dbraw/zinc/21/88/25/290218825.db2.gz NUJRXXCLHFUJSK-RISCZKNCSA-N 0 1 280.318 2.569 20 30 CFEDMN C[C@@H]1CCN(Cc2ccc(C#N)cc2[N+](=O)[O-])CCS1 ZINC000565308348 290293491 /nfs/dbraw/zinc/29/34/91/290293491.db2.gz UPKDBDNBNBIIQM-LLVKDONJSA-N 0 1 291.376 2.794 20 30 CFEDMN O=C(N[C@@H]1C[C@H]1C1CCCCC1)[C@@H]1CCc2[nH]nnc2C1 ZINC000329149505 295386272 /nfs/dbraw/zinc/38/62/72/295386272.db2.gz YYHJHUWZSCOTRP-MBNYWOFBSA-N 0 1 288.395 2.835 20 30 CFEDMN O=C(N[C@@H]1C[C@H]1C1CCCCC1)[C@@H]1CCc2nn[nH]c2C1 ZINC000329149505 295386273 /nfs/dbraw/zinc/38/62/73/295386273.db2.gz YYHJHUWZSCOTRP-MBNYWOFBSA-N 0 1 288.395 2.835 20 30 CFEDMN C=C(C)CN1CC[C@H]1CN(C)C(=O)c1ccccc1C ZINC001085460883 782064178 /nfs/dbraw/zinc/06/41/78/782064178.db2.gz RVEFJJXZQATTJG-HNNXBMFYSA-N 0 1 272.392 2.717 20 30 CFEDMN C=CCNC(=O)[C@H](C)N[C@H](c1ccccn1)C1CCCC1 ZINC000367729785 327899510 /nfs/dbraw/zinc/89/95/10/327899510.db2.gz PZLARJMDWKADJT-BBRMVZONSA-N 0 1 287.407 2.593 20 30 CFEDMN C#CCCN1CC[C@H]1CN(C)C(=O)C1CCCCCC1 ZINC001085510182 782085630 /nfs/dbraw/zinc/08/56/30/782085630.db2.gz OPCWTBGSXZPKRZ-INIZCTEOSA-N 0 1 276.424 2.513 20 30 CFEDMN C#CCC[N@@H+]1CC[C@H]1CN(C)C(=O)C1CCCCCC1 ZINC001085510182 782085614 /nfs/dbraw/zinc/08/56/14/782085614.db2.gz OPCWTBGSXZPKRZ-INIZCTEOSA-N 0 1 276.424 2.513 20 30 CFEDMN N#CCC[C@@H](C#N)CNCCc1ccc2[nH]ccc2c1 ZINC000563591667 328075394 /nfs/dbraw/zinc/07/53/94/328075394.db2.gz SLYQJUDRZSKEBN-AWEZNQCLSA-N 0 1 266.348 2.744 20 30 CFEDMN C#CCN1CCC(C(=O)N(C)[C@@H]2CCCC[C@@H]2CC)CC1 ZINC000160908199 328093943 /nfs/dbraw/zinc/09/39/43/328093943.db2.gz RSFYQEZKCYTUKB-DOTOQJQBSA-N 0 1 290.451 2.759 20 30 CFEDMN C[C@H](Cc1cnc[nH]1)C(=O)N[C@@H](CCC#N)c1ccccc1 ZINC000571343447 328113354 /nfs/dbraw/zinc/11/33/54/328113354.db2.gz YYNKTURCBACSMF-CJNGLKHVSA-N 0 1 296.374 2.750 20 30 CFEDMN C[C@H](O)[C@H](N[C@H]1CC[C@H](C#N)C1)c1ccccc1F ZINC000582489388 329097132 /nfs/dbraw/zinc/09/71/32/329097132.db2.gz AWMONSJLAOEJDX-ASHKBJFXSA-N 0 1 262.328 2.529 20 30 CFEDMN Cc1cccc2nc([C@@H](C#N)C(=O)OCC(F)(F)F)[nH]c21 ZINC000271189773 328195855 /nfs/dbraw/zinc/19/58/55/328195855.db2.gz XKSPLEXBPVBSQF-MRVPVSSYSA-N 0 1 297.236 2.584 20 30 CFEDMN C=CCCCC(=O)NC[C@@H](C(CC)CC)N1CCOCC1 ZINC000175193128 329162967 /nfs/dbraw/zinc/16/29/67/329162967.db2.gz AJPQNXASXCKGCK-INIZCTEOSA-N 0 1 296.455 2.596 20 30 CFEDMN CCOc1ccccc1N1CCN([C@H]2CC[C@H](C#N)C2)CC1 ZINC000278629920 328228982 /nfs/dbraw/zinc/22/89/82/328228982.db2.gz OBJMSYNLCWHPCQ-HOTGVXAUSA-N 0 1 299.418 2.900 20 30 CFEDMN C=CCC[N@H+](C)Cc1cn(CCC#N)nc1-c1ccncc1 ZINC000278837347 328231031 /nfs/dbraw/zinc/23/10/31/328231031.db2.gz ALPJDGBCNZFJDL-UHFFFAOYSA-N 0 1 295.390 2.867 20 30 CFEDMN C=C(C)CN(C)[C@@H]1CCN(c2ccc(Cl)cc2)C1=O ZINC000181315658 329231297 /nfs/dbraw/zinc/23/12/97/329231297.db2.gz HHVIAGUQUOQSSM-CQSZACIVSA-N 0 1 278.783 2.953 20 30 CFEDMN CCc1nnc(SCc2ccc(OC)c(C#N)c2)[nH]1 ZINC000162250463 322362054 /nfs/dbraw/zinc/36/20/54/322362054.db2.gz IGHUSWNQGUULGM-UHFFFAOYSA-N 0 1 274.349 2.540 20 30 CFEDMN CCc1n[nH]c(SCc2ccc(OC)c(C#N)c2)n1 ZINC000162250463 322362056 /nfs/dbraw/zinc/36/20/56/322362056.db2.gz IGHUSWNQGUULGM-UHFFFAOYSA-N 0 1 274.349 2.540 20 30 CFEDMN CC(=Cc1cccc(C)c1)c1nc(C)c(C#N)c(=O)[nH]1 ZINC000193614078 324075054 /nfs/dbraw/zinc/07/50/54/324075054.db2.gz BKSLVJHJGZHSEU-FLIBITNWSA-N 0 1 265.316 2.819 20 30 CFEDMN N#Cc1ccc(OCC[NH+]2CCC(c3ccn[nH]3)CC2)cc1 ZINC000195506274 324107653 /nfs/dbraw/zinc/10/76/53/324107653.db2.gz SLGINWQSOWDRQT-UHFFFAOYSA-N 0 1 296.374 2.540 20 30 CFEDMN C[C@@H](NCCc1cccc(C#N)c1)c1cscn1 ZINC000582879617 325241483 /nfs/dbraw/zinc/24/14/83/325241483.db2.gz XTNSAVWDPNOBSL-LLVKDONJSA-N 0 1 257.362 2.908 20 30 CFEDMN CCc1cnc(C=C(C)c2nc(C)c(C#N)c(=O)[nH]2)s1 ZINC000583850179 325314378 /nfs/dbraw/zinc/31/43/78/325314378.db2.gz ITWPOBRZXMDXOL-VMPITWQZSA-N 0 1 286.360 2.529 20 30 CFEDMN CC[C@@H](CC#N)NCCC(=O)Nc1ccccc1Cl ZINC000580342860 328546023 /nfs/dbraw/zinc/54/60/23/328546023.db2.gz BVSSMNXWGXTLPR-NSHDSACASA-N 0 1 279.771 2.950 20 30 CFEDMN C=CCC(C)(C)CNC(=O)c1ccc(F)cc1O ZINC000386472577 326871766 /nfs/dbraw/zinc/87/17/66/326871766.db2.gz HKHCMMSHGBCLLF-UHFFFAOYSA-N 0 1 251.301 2.863 20 30 CFEDMN CCc1nnc(CNC2CCC(C)(C#N)CC2)s1 ZINC000449340329 327164398 /nfs/dbraw/zinc/16/43/98/327164398.db2.gz VYQBDZVCBZDMTG-UHFFFAOYSA-N 0 1 264.398 2.663 20 30 CFEDMN CN(C)[C@@H](CNC(=O)C(C)(C)C#N)c1ccc(Cl)cc1 ZINC000531067727 327238687 /nfs/dbraw/zinc/23/86/87/327238687.db2.gz RDVGAPXXGVGOPT-ZDUSSCGKSA-N 0 1 293.798 2.609 20 30 CFEDMN Cn1nccc1[C@H]1CCCN(CC#Cc2ccc(F)cc2)C1 ZINC000370842786 327251588 /nfs/dbraw/zinc/25/15/88/327251588.db2.gz JKMVIMYBCGIHRS-INIZCTEOSA-N 0 1 297.377 2.790 20 30 CFEDMN C=CCN(CC(C(C)C)C(C)C)[C@@H]1CCS(=O)(=O)C1 ZINC000560259246 327294232 /nfs/dbraw/zinc/29/42/32/327294232.db2.gz UJZVFVWRVSMWJB-CQSZACIVSA-N 0 1 287.469 2.590 20 30 CFEDMN CC#CCN[C@H](C)c1c(C)nn(CC(F)(F)F)c1C ZINC000159727707 327557098 /nfs/dbraw/zinc/55/70/98/327557098.db2.gz JYYFEDXCSLVWNT-SECBINFHSA-N 0 1 273.302 2.736 20 30 CFEDMN C=C(C)CN1CCN([C@@H](C)c2cccc(OC)c2)CC1 ZINC000171706134 329078965 /nfs/dbraw/zinc/07/89/65/329078965.db2.gz XBYSDTMUCFOZNY-HNNXBMFYSA-N 0 1 274.408 2.950 20 30 CFEDMN C=CCN(CC=C)C(=O)CN1CCS[C@H]2CCCC[C@@H]21 ZINC000177196970 329180534 /nfs/dbraw/zinc/18/05/34/329180534.db2.gz LMZHXNGGNJSICS-GJZGRUSLSA-N 0 1 294.464 2.547 20 30 CFEDMN CN1CC[C@H](NC(=O)C2(C#N)CCCC2)[C@@H]1c1ccccc1 ZINC000180173445 329218133 /nfs/dbraw/zinc/21/81/33/329218133.db2.gz RNWZVDBGUYFTSC-HOTGVXAUSA-N 0 1 297.402 2.632 20 30 CFEDMN C=C(C)CN(C)CC(=O)N1CCC[C@H]2CCCC[C@@H]21 ZINC000181259251 329227989 /nfs/dbraw/zinc/22/79/89/329227989.db2.gz ZHRRWFPZFIQXAR-CABCVRRESA-N 0 1 264.413 2.676 20 30 CFEDMN C=C(C)CN(C)[C@H](C)C(=O)NCCC1=CCCCC1 ZINC000181288566 329229926 /nfs/dbraw/zinc/22/99/26/329229926.db2.gz AUQIDGYCFGUUMZ-CQSZACIVSA-N 0 1 264.413 2.890 20 30 CFEDMN C=C(C)CN(C)[C@H](C)C(=O)N[C@@H](C)c1ccccc1OC ZINC000181309271 329230773 /nfs/dbraw/zinc/23/07/73/329230773.db2.gz WXJNGUPGJSWPKJ-UONOGXRCSA-N 0 1 290.407 2.769 20 30 CFEDMN C=C(C)C[N@H+](C)CC(=O)N(C)[C@H](C)c1ccc(F)cc1 ZINC000181310036 329230866 /nfs/dbraw/zinc/23/08/66/329230866.db2.gz QSUZUKIVVPXHKE-CYBMUJFWSA-N 0 1 278.371 2.853 20 30 CFEDMN C=C(C)CN(C)CC(=O)N(C)[C@H](C)c1ccc(F)cc1 ZINC000181310036 329230867 /nfs/dbraw/zinc/23/08/67/329230867.db2.gz QSUZUKIVVPXHKE-CYBMUJFWSA-N 0 1 278.371 2.853 20 30 CFEDMN C[C@H]1CCC[C@H](CO)N1CC#Cc1ccc(Cl)cc1 ZINC000181388088 329232523 /nfs/dbraw/zinc/23/25/23/329232523.db2.gz HHHVDLZJTZLDPS-XJKSGUPXSA-N 0 1 277.795 2.927 20 30 CFEDMN C=C(C)CN(C)C(=O)CCc1nc2cccc(C)c2[nH]1 ZINC000183044136 329246620 /nfs/dbraw/zinc/24/66/20/329246620.db2.gz YSBFDCWGKPVAEZ-UHFFFAOYSA-N 0 1 271.364 2.838 20 30 CFEDMN CC[C@H](CC#N)NC(=O)CCc1nc2cccc(C)c2[nH]1 ZINC000183943288 329254991 /nfs/dbraw/zinc/25/49/91/329254991.db2.gz FJFCJVFTXWBXGT-GFCCVEGCSA-N 0 1 284.363 2.612 20 30 CFEDMN C=CC[C@@H](CO)NCc1ncc(-c2ccccc2)s1 ZINC000184284026 329258737 /nfs/dbraw/zinc/25/87/37/329258737.db2.gz FEDQQHCPLXDTAI-ZDUSSCGKSA-N 0 1 274.389 2.837 20 30 CFEDMN CC#CCCN1CCN([C@@H](C)c2ccsc2)CC1 ZINC000185451960 329273776 /nfs/dbraw/zinc/27/37/76/329273776.db2.gz HEHDYQPCMKDQOP-AWEZNQCLSA-N 0 1 262.422 2.840 20 30 CFEDMN CC(=O)Nc1nc(-c2ccc(Br)cc2)n[nH]1 ZINC000063497485 329386657 /nfs/dbraw/zinc/38/66/57/329386657.db2.gz SMHZJZKXPUBKJC-UHFFFAOYSA-N 0 1 281.113 2.842 20 30 CFEDMN N#CCCN(C[C@@H](O)CC1CCCC1)CC1CC1 ZINC000190628671 329399904 /nfs/dbraw/zinc/39/99/04/329399904.db2.gz VIAVRERCLDCDFI-HNNXBMFYSA-N 0 1 250.386 2.553 20 30 CFEDMN C=CCOc1cccc(C[N@@H+]2CC[C@@](C)(C(=O)[O-])C2)c1 ZINC000263536544 330059165 /nfs/dbraw/zinc/05/91/65/330059165.db2.gz ZNFRNWCMOOXWOE-MRXNPFEDSA-N 0 1 275.348 2.548 20 30 CFEDMN C=CCN(C(=O)c1cc(-c2ccccc2)[nH]n1)C1CC1 ZINC000271470710 330080181 /nfs/dbraw/zinc/08/01/81/330080181.db2.gz HBGKQFUMWOZDCF-UHFFFAOYSA-N 0 1 267.332 2.867 20 30 CFEDMN C=CCCOCCN[C@@H](C)c1ccncc1Cl ZINC000421830245 330084661 /nfs/dbraw/zinc/08/46/61/330084661.db2.gz BGFWUSMWHOZZBR-NSHDSACASA-N 0 1 254.761 2.978 20 30 CFEDMN C[C@@H]1C[C@]1(C#N)C(=O)Nc1cccc2c1OCC[C@H]2N(C)C ZINC000572454373 330106308 /nfs/dbraw/zinc/10/63/08/330106308.db2.gz ZCTCTGHSYKLZDJ-JDSLSITLSA-N 0 1 299.374 2.560 20 30 CFEDMN CN(CCC(=O)N1CCCc2ccccc21)CC(C)(C)C#N ZINC000433318494 330221971 /nfs/dbraw/zinc/22/19/71/330221971.db2.gz GWMUQZJCPDSQGZ-UHFFFAOYSA-N 0 1 299.418 2.837 20 30 CFEDMN CCN(CC)C(=O)[C@@H](N[C@@H]1CC[C@H](C#N)C1)c1ccccc1 ZINC000424119672 330247538 /nfs/dbraw/zinc/24/75/38/330247538.db2.gz GBRZGVPZAMYTEG-UAGQMJEPSA-N 0 1 299.418 2.878 20 30 CFEDMN Cc1ccccc1-c1nc(=NCCCC#N)s[nH]1 ZINC000527959636 330300470 /nfs/dbraw/zinc/30/04/70/330300470.db2.gz MRMYMDLYPWBKGY-UHFFFAOYSA-N 0 1 258.350 2.651 20 30 CFEDMN C=CCn1cc(CN[C@@H]2C[C@H](OCC)C2(CC)CC)nn1 ZINC000424290374 330338418 /nfs/dbraw/zinc/33/84/18/330338418.db2.gz BOFTVCLVZVNULW-CABCVRRESA-N 0 1 292.427 2.538 20 30 CFEDMN Cc1cc2c[nH]nc2c(C(=O)N(C[C@@H](C)C#N)C2CC2)c1 ZINC000533141512 330350661 /nfs/dbraw/zinc/35/06/61/330350661.db2.gz UAPIGKUAPRUZSJ-NSHDSACASA-N 0 1 282.347 2.636 20 30 CFEDMN C=CCN(C)[C@@H](C)C(=O)N1CCC[C@H]1c1cccs1 ZINC000121152179 330398106 /nfs/dbraw/zinc/39/81/06/330398106.db2.gz GNDRYEKXOFRJJP-STQMWFEESA-N 0 1 278.421 2.918 20 30 CFEDMN CC(C)[C@H](N[C@@H]1CC[C@H](C#N)C1)c1nnc2ccccn21 ZINC000442774015 330781883 /nfs/dbraw/zinc/78/18/83/330781883.db2.gz YBTWIVZGJFDPOA-GUTXKFCHSA-N 0 1 283.379 2.708 20 30 CFEDMN C=C(C)[C@H](NC[C@H]1COCCO1)c1ccc(F)c(F)c1 ZINC000450776986 330999374 /nfs/dbraw/zinc/99/93/74/330999374.db2.gz LXZNKUPLQAJHJO-WFASDCNBSA-N 0 1 283.318 2.587 20 30 CFEDMN CCO[C@@H]1CCN(CC#Cc2ccc(F)cc2)C[C@@H]1C ZINC000451538380 331032995 /nfs/dbraw/zinc/03/29/95/331032995.db2.gz JFJGJHUREMCHOX-WMLDXEAASA-N 0 1 275.367 2.924 20 30 CFEDMN C=C[C@@H]1OCC[C@H]1NCc1coc(-c2cccs2)n1 ZINC000451597932 331035567 /nfs/dbraw/zinc/03/55/67/331035567.db2.gz JAURPGWVSMLESR-NEPJUHHUSA-N 0 1 276.361 2.836 20 30 CFEDMN C=C[C@@H]1OCC[C@H]1NCc1cc(-c2ccccc2)on1 ZINC000451599867 331035643 /nfs/dbraw/zinc/03/56/43/331035643.db2.gz PFUOCIJGNIJSOL-CABCVRRESA-N 0 1 270.332 2.775 20 30 CFEDMN C=C[C@@H]1OCC[C@H]1NCc1nc2ccccc2n1C(F)F ZINC000451606202 331036364 /nfs/dbraw/zinc/03/63/64/331036364.db2.gz MMHFYNLALLXNGF-YPMHNXCESA-N 0 1 293.317 2.865 20 30 CFEDMN C[C@@H]1CN(CCC(C)(C)C#N)CCN(CC(F)(F)F)C1 ZINC000451880485 331046073 /nfs/dbraw/zinc/04/60/73/331046073.db2.gz NWKTXOCTSKAGCF-GFCCVEGCSA-N 0 1 291.361 2.742 20 30 CFEDMN C=C(C)CCNC(=O)[C@H]1CCc2[nH]c(C(C)C)nc2C1 ZINC000452718035 331073300 /nfs/dbraw/zinc/07/33/00/331073300.db2.gz NVJILYABPSYRSG-LBPRGKRZSA-N 0 1 275.396 2.720 20 30 CFEDMN C=CC(C)(C)CNC(=O)[C@H](C)N(C)Cc1ccccc1 ZINC000452777933 331076984 /nfs/dbraw/zinc/07/69/84/331076984.db2.gz WJSGZBNYVHAAPO-AWEZNQCLSA-N 0 1 274.408 2.835 20 30 CFEDMN C=C(CC)CNC(=O)NC[C@@H](c1ccc(F)cc1)N(C)C ZINC000454528891 331148079 /nfs/dbraw/zinc/14/80/79/331148079.db2.gz DOIQWWIZDMMJIM-HNNXBMFYSA-N 0 1 293.386 2.694 20 30 CFEDMN CC1=CCN(CCNC(=O)Nc2cccc(CC#N)c2)CC1 ZINC000455913537 331180827 /nfs/dbraw/zinc/18/08/27/331180827.db2.gz ZFYKINNFXLZJHB-UHFFFAOYSA-N 0 1 298.390 2.526 20 30 CFEDMN C=C(C)C[C@@H](C)C(=O)N1CCN([C@H](C)CC)CC1 ZINC000456521036 331194972 /nfs/dbraw/zinc/19/49/72/331194972.db2.gz BXUPJGRFOBNRSX-ZIAGYGMSSA-N 0 1 252.402 2.531 20 30 CFEDMN C=C(CC)CNC(=O)CCc1nc2cccc(C)c2[nH]1 ZINC000456809928 331204699 /nfs/dbraw/zinc/20/46/99/331204699.db2.gz CZMRUFANNFFMKO-UHFFFAOYSA-N 0 1 271.364 2.886 20 30 CFEDMN C=C(CC)CNC(=O)[C@H](c1ccccc1)N(C)CC ZINC000456830004 331206553 /nfs/dbraw/zinc/20/65/53/331206553.db2.gz PXMDDEPNDPKPBZ-HNNXBMFYSA-N 0 1 260.381 2.762 20 30 CFEDMN C=C(C)[C@@H](CC(=O)Nc1ccc(F)c(F)c1O)OCC ZINC000457286322 331218133 /nfs/dbraw/zinc/21/81/33/331218133.db2.gz FCHJEEABBXYNDX-LLVKDONJSA-N 0 1 285.290 2.980 20 30 CFEDMN N#C[C@@H]1CCC[C@@H]1NC[C@@H](O)Cc1cccc(Cl)c1 ZINC000459489219 331284763 /nfs/dbraw/zinc/28/47/63/331284763.db2.gz XJVWLGYRSITNPV-QEJZJMRPSA-N 0 1 278.783 2.525 20 30 CFEDMN C=C[C@@H]1CCCCN1CC(=O)N([C@H](C)C1CC1)C1CC1 ZINC000489419644 332050813 /nfs/dbraw/zinc/05/08/13/332050813.db2.gz ABZPNVYUXCVWSB-UKRRQHHQSA-N 0 1 276.424 2.816 20 30 CFEDMN C=C[C@@H]1CCCCN1CC(=O)N(CC(C)C)C1CC1 ZINC000489431281 332052056 /nfs/dbraw/zinc/05/20/56/332052056.db2.gz DUQLWIPTTRRLOX-CQSZACIVSA-N 0 1 264.413 2.674 20 30 CFEDMN C=C[C@H]1CCCCN1CC(=O)NCCc1ccc(F)cc1 ZINC000489440657 332052581 /nfs/dbraw/zinc/05/25/81/332052581.db2.gz BZDNIFZDTXZNNK-INIZCTEOSA-N 0 1 290.382 2.525 20 30 CFEDMN C=C[C@@H]1CCCCN1CC(=O)N(CCC)CCC ZINC000489512157 332057670 /nfs/dbraw/zinc/05/76/70/332057670.db2.gz OCCQKRLTOLREFB-CQSZACIVSA-N 0 1 252.402 2.676 20 30 CFEDMN Cc1nc2cccc(C(=O)NCC(C)(C)CCC#N)c2[nH]1 ZINC000489930271 332073135 /nfs/dbraw/zinc/07/31/35/332073135.db2.gz XFZMVNKSIOAWCL-UHFFFAOYSA-N 0 1 284.363 2.931 20 30 CFEDMN C=CCn1cccc1C(=O)Nc1ccccc1-c1nnc[nH]1 ZINC000489996451 332075911 /nfs/dbraw/zinc/07/59/11/332075911.db2.gz LLNIUMLWYXFRIQ-UHFFFAOYSA-N 0 1 293.330 2.712 20 30 CFEDMN C#CCN1CCC(C(=O)N(C(C)C)C2CCCCC2)CC1 ZINC000490899942 332127431 /nfs/dbraw/zinc/12/74/31/332127431.db2.gz RPCJQEPLQFZDGV-UHFFFAOYSA-N 0 1 290.451 2.901 20 30 CFEDMN C#CCN(Cc1ccccc1)C(=O)c1cccc2n[nH]cc21 ZINC000491096366 332148993 /nfs/dbraw/zinc/14/89/93/332148993.db2.gz RSUOMKFWSKFERS-UHFFFAOYSA-N 0 1 289.338 2.839 20 30 CFEDMN C#C[C@H](CC)NCc1cnc(-c2ccccn2)s1 ZINC000491475045 332218648 /nfs/dbraw/zinc/21/86/48/332218648.db2.gz SBWHHCUJSQEGNL-LLVKDONJSA-N 0 1 257.362 2.707 20 30 CFEDMN C#C[C@@H](C)N(C)C(=O)c1cc(-c2ccc(Cl)cc2)[nH]n1 ZINC000491497349 332223567 /nfs/dbraw/zinc/22/35/67/332223567.db2.gz XIWCEEAQLDLSAN-SNVBAGLBSA-N 0 1 287.750 2.824 20 30 CFEDMN C#CCN1CCC(C(=O)OCC2CCC(F)(F)CC2)CC1 ZINC000491523312 332228865 /nfs/dbraw/zinc/22/88/65/332228865.db2.gz DBAHLIPMZPEGEU-UHFFFAOYSA-N 0 1 299.361 2.700 20 30 CFEDMN C#CCN(Cc1ccc(O[C@H](C)C#N)cc1)C1CC1 ZINC000491616507 332243696 /nfs/dbraw/zinc/24/36/96/332243696.db2.gz AVZBGUROOKSHSM-CYBMUJFWSA-N 0 1 254.333 2.575 20 30 CFEDMN C#C[C@H](C)N(C)Cc1ccc(OC)c(OCCCC#N)c1 ZINC000491673682 332279847 /nfs/dbraw/zinc/27/98/47/332279847.db2.gz URUKBBBIGBEHSE-AWEZNQCLSA-N 0 1 286.375 2.831 20 30 CFEDMN C#CCN1CCC(C(=O)N(c2ccccc2)[C@@H]2C[C@@H]2C)CC1 ZINC000491678145 332282732 /nfs/dbraw/zinc/28/27/32/332282732.db2.gz SGZFUZMYTDZQPE-MAUKXSAKSA-N 0 1 296.414 2.773 20 30 CFEDMN C#CCN1CCC(C(=O)N(C)Cc2ccc(C)c(C)c2)CC1 ZINC000491699743 332294490 /nfs/dbraw/zinc/29/44/90/332294490.db2.gz CNMXAGUSVOEDMK-UHFFFAOYSA-N 0 1 298.430 2.607 20 30 CFEDMN C#C[C@H](CC)NCc1ccc(OC)cc1OC(F)F ZINC000491711525 332303077 /nfs/dbraw/zinc/30/30/77/332303077.db2.gz VOEWOUJWVYRVKH-LLVKDONJSA-N 0 1 269.291 2.798 20 30 CFEDMN C#C[C@@H](NC(=O)c1cccc2n[nH]cc21)c1ccc(F)cc1 ZINC000491736513 332316807 /nfs/dbraw/zinc/31/68/07/332316807.db2.gz NKERPWMDJQQDFS-OAHLLOKOSA-N 0 1 293.301 2.806 20 30 CFEDMN C#C[C@@H](NCc1cnc(-c2ccccc2)nc1)C(C)C ZINC000491774263 332340317 /nfs/dbraw/zinc/34/03/17/332340317.db2.gz CHRVCQBCOFSRED-MRXNPFEDSA-N 0 1 265.360 2.891 20 30 CFEDMN C#CCN(C)C(=O)c1cccc2[nH]c(-c3cccs3)nc21 ZINC000491816910 332367719 /nfs/dbraw/zinc/36/77/19/332367719.db2.gz IFTLFJMMSAYLRD-UHFFFAOYSA-N 0 1 295.367 2.997 20 30 CFEDMN CC#CCN1CCC(Oc2cncc(Cl)c2)CC1 ZINC000567331341 334704314 /nfs/dbraw/zinc/70/43/14/334704314.db2.gz YHAFUFYGDYSOKN-UHFFFAOYSA-N 0 1 264.756 2.602 20 30 CFEDMN C[C@@H]1CC[C@@H](C)N1CC(=O)N(CCC#N)c1ccccc1 ZINC000174508541 333001158 /nfs/dbraw/zinc/00/11/58/333001158.db2.gz KZZZSMCZGIHGCE-HUUCEWRRSA-N 0 1 285.391 2.806 20 30 CFEDMN C=CCOc1ccccc1C[N@@H+]1CCC[C@@H](CC(=O)[O-])C1 ZINC000516632090 333042063 /nfs/dbraw/zinc/04/20/63/333042063.db2.gz ZSRIKTXNGSPLFZ-AWEZNQCLSA-N 0 1 289.375 2.938 20 30 CFEDMN C[C@H](NC[C@H](C#N)CCC#N)[C@H]1Oc2ccccc2[C@@H]1C ZINC000517058016 333091115 /nfs/dbraw/zinc/09/11/15/333091115.db2.gz YYLVAPBMAOEPBQ-WSMBLCCSSA-N 0 1 283.375 2.973 20 30 CFEDMN CC(C)Cn1cc(CNCc2ccc(CC#N)cc2)cn1 ZINC000517565743 333102792 /nfs/dbraw/zinc/10/27/92/333102792.db2.gz JREXKHFIVGUNDN-UHFFFAOYSA-N 0 1 282.391 2.895 20 30 CFEDMN CC(C)CCN(CCC#N)C[C@H](O)CC(F)(F)F ZINC000189499518 333193751 /nfs/dbraw/zinc/19/37/51/333193751.db2.gz NRLVUCLYYGGLCE-LLVKDONJSA-N 0 1 266.307 2.561 20 30 CFEDMN C=CCCCCCN1CC[N@H+](CC(C)(C)O)C[C@H]1C ZINC000193571326 333253407 /nfs/dbraw/zinc/25/34/07/333253407.db2.gz PLTQXLOHZJALNU-OAHLLOKOSA-N 0 1 268.445 2.510 20 30 CFEDMN C[C@H](CC1CCCCC1)C(=O)NC1(C#N)CCN(C)CC1 ZINC000524409300 333361635 /nfs/dbraw/zinc/36/16/35/333361635.db2.gz WPWAHDTUOFRUDO-CQSZACIVSA-N 0 1 291.439 2.697 20 30 CFEDMN C[C@H](CC(=O)NC1(C#N)CCN(C)CC1)C1CCCCC1 ZINC000524686362 333371368 /nfs/dbraw/zinc/37/13/68/333371368.db2.gz PPZHACMKQXWAGC-CQSZACIVSA-N 0 1 291.439 2.697 20 30 CFEDMN CC(C)(CC#N)CNC(=O)c1ccc(O)c(Cl)c1 ZINC000315771007 333383805 /nfs/dbraw/zinc/38/38/05/333383805.db2.gz JVGZFSAJBMTYFL-UHFFFAOYSA-N 0 1 266.728 2.715 20 30 CFEDMN CO[C@H](CN1CCC(C#N)CC1)c1ccc(F)cc1 ZINC000528366145 333416645 /nfs/dbraw/zinc/41/66/45/333416645.db2.gz RUTPODHGXLTHLA-OAHLLOKOSA-N 0 1 262.328 2.749 20 30 CFEDMN CCC(C#N)(CC)C(=O)Nc1ccc(F)c(F)c1O ZINC000529476424 333489484 /nfs/dbraw/zinc/48/94/84/333489484.db2.gz WWEAJCOCLVZGJN-UHFFFAOYSA-N 0 1 268.263 2.939 20 30 CFEDMN Cc1ccccc1[C@H](CO)NCC#Cc1ccc(F)cc1 ZINC000543838532 333902548 /nfs/dbraw/zinc/90/25/48/333902548.db2.gz GGXKZEPGOJEWFS-SFHVURJKSA-N 0 1 283.346 2.809 20 30 CFEDMN COc1ccccc1[C@H](CO)NCc1ccc(CC#N)cc1 ZINC000544122645 333917562 /nfs/dbraw/zinc/91/75/62/333917562.db2.gz ZUWLBKZKNUZAAU-KRWDZBQOSA-N 0 1 296.370 2.584 20 30 CFEDMN CCN(CC)CC(=O)Nc1ccccc1SCC#N ZINC000072710398 333954243 /nfs/dbraw/zinc/95/42/43/333954243.db2.gz SNNKKHPODPZXMU-UHFFFAOYSA-N 0 1 277.393 2.583 20 30 CFEDMN CC[C@H](CC#N)N[C@H](C)CC(=O)Nc1cccc(C)c1 ZINC000547287130 334075991 /nfs/dbraw/zinc/07/59/91/334075991.db2.gz BZRVRTFUQDLVBG-ZIAGYGMSSA-N 0 1 273.380 2.994 20 30 CFEDMN CCC[C@H](C)[C@H]1CCC[N@H+]1CC(=O)N[C@@](C)(C#N)C1CC1 ZINC000135341397 334126743 /nfs/dbraw/zinc/12/67/43/334126743.db2.gz MSUGRURKHQHIEN-LXZKKBNFSA-N 0 1 291.439 2.695 20 30 CFEDMN C=CC[C@H](C)NC(=O)NCc1ccc(CN(C)C)c(F)c1 ZINC000135445377 334130122 /nfs/dbraw/zinc/13/01/22/334130122.db2.gz PPOMNEDVTFFOQB-LBPRGKRZSA-N 0 1 293.386 2.651 20 30 CFEDMN N#CCC[C@@H](C#N)CNCCc1ccc2ccccc2n1 ZINC000548788270 334173923 /nfs/dbraw/zinc/17/39/23/334173923.db2.gz BKLKMSZQQMLCGQ-AWEZNQCLSA-N 0 1 278.359 2.810 20 30 CFEDMN C[C@H](O)[C@H]1CCCN(CC#Cc2cccc(Cl)c2)C1 ZINC000089932890 334353919 /nfs/dbraw/zinc/35/39/19/334353919.db2.gz ZVAQKRUQQCGADG-ZFWWWQNUSA-N 0 1 277.795 2.784 20 30 CFEDMN C[C@@H](O)[C@H]1CCCN(CC#Cc2cccc(Cl)c2)C1 ZINC000089932891 334353997 /nfs/dbraw/zinc/35/39/97/334353997.db2.gz ZVAQKRUQQCGADG-HIFRSBDPSA-N 0 1 277.795 2.784 20 30 CFEDMN N#CC(C(=O)c1cnc([C@@H]2CCCO2)s1)c1ccccn1 ZINC000089966710 334354399 /nfs/dbraw/zinc/35/43/99/334354399.db2.gz UGHDNAFMVWPSID-JQWIXIFHSA-N 0 1 299.355 2.880 20 30 CFEDMN CCN(CC)CC(=O)Nc1ccc(Cl)cc1CC#N ZINC000568212655 334804839 /nfs/dbraw/zinc/80/48/39/334804839.db2.gz GNENLMIHPFOMRN-UHFFFAOYSA-N 0 1 279.771 2.686 20 30 CFEDMN N#C[C@@H]1CC[C@H](NCc2nccn2Cc2ccccc2)C1 ZINC000576457186 335205738 /nfs/dbraw/zinc/20/57/38/335205738.db2.gz JWJWSJDVMMAEBK-CVEARBPZSA-N 0 1 280.375 2.713 20 30 CFEDMN Cn1cc([C@@H](N[C@@H]2CC[C@H](C#N)C2)c2cccc(F)c2)cn1 ZINC000577274332 335333239 /nfs/dbraw/zinc/33/32/39/335333239.db2.gz BTUQPQJGDRXYOP-VUCTXSBTSA-N 0 1 298.365 2.930 20 30 CFEDMN C=C(CC)CN1CCN(c2ccc(F)c(OC)c2)CC1 ZINC000579134921 335714644 /nfs/dbraw/zinc/71/46/44/335714644.db2.gz DJGGRODCSUFLFF-UHFFFAOYSA-N 0 1 278.371 2.923 20 30 CFEDMN C#CCCN1CC[C@H]1CN(C)C(=O)[C@@H]1CCCC2(CC2)C1 ZINC001085594156 782111180 /nfs/dbraw/zinc/11/11/80/782111180.db2.gz AHAOVQOKSMIRDP-CVEARBPZSA-N 0 1 288.435 2.513 20 30 CFEDMN C#CCCN1CC[C@H]1CN(C)C(=O)[C@@H]1CCC(C)=C(C)C1 ZINC001085614201 782113866 /nfs/dbraw/zinc/11/38/66/782113866.db2.gz IGBLQROAGCEXMU-SJORKVTESA-N 0 1 288.435 2.679 20 30 CFEDMN COc1c(F)c(F)ccc1-c1cc2[nH]cnc2c(C#N)n1 ZINC001243300224 782119545 /nfs/dbraw/zinc/11/95/45/782119545.db2.gz VKCMTAKKYNMAKB-UHFFFAOYSA-N 0 1 286.241 2.783 20 30 CFEDMN C#CCCN1CC[C@@H]1CN(C)C(=O)c1ccccc1C(C)C ZINC001085629748 782121104 /nfs/dbraw/zinc/12/11/04/782121104.db2.gz ATLGVNZQNJXHAM-MRXNPFEDSA-N 0 1 298.430 2.980 20 30 CFEDMN C#CCCN1CC[C@H]1CN(C)C(=O)[C@@H]1CCC=CCCC1 ZINC001085668357 782127117 /nfs/dbraw/zinc/12/71/17/782127117.db2.gz BJESVQKPOJLTPJ-SJORKVTESA-N 0 1 288.435 2.679 20 30 CFEDMN N#Cc1ccc(CNCc2cccc3cccnc32)o1 ZINC000135167056 501031980 /nfs/dbraw/zinc/03/19/80/501031980.db2.gz XHNXGZCVBJXIIB-UHFFFAOYSA-N 0 1 263.300 2.989 20 30 CFEDMN C=C(C)CN1CC[C@H]1CN(C)C(=O)c1cc[nH]c1CCC ZINC001085778084 782159555 /nfs/dbraw/zinc/15/95/55/782159555.db2.gz LXYWAQWHPISTLS-AWEZNQCLSA-N 0 1 289.423 2.690 20 30 CFEDMN C[C@@H]1CCN(Cc2ccccc2C#N)C[C@@H]1n1ccnc1 ZINC000156494669 534039532 /nfs/dbraw/zinc/03/95/32/534039532.db2.gz JHONGLBOUQTFHH-PBHICJAKSA-N 0 1 280.375 2.838 20 30 CFEDMN O=C(CC1CCOCC1)Nc1cccc(-c2cn[nH]n2)c1 ZINC000329617817 534337679 /nfs/dbraw/zinc/33/76/79/534337679.db2.gz STHAHAJQCKRTMB-UHFFFAOYSA-N 0 1 286.335 2.876 20 30 CFEDMN CCNC(=O)c1cccc(CNCc2ccc(C#N)cc2)c1 ZINC000048816340 519898755 /nfs/dbraw/zinc/89/87/55/519898755.db2.gz UBCBCGCCCHMXEF-UHFFFAOYSA-N 0 1 293.370 2.598 20 30 CFEDMN CCCCN(CCO)Cc1ncc(-c2ccc(C#N)cc2)o1 ZINC000159194023 520525688 /nfs/dbraw/zinc/52/56/88/520525688.db2.gz ZOHJAVOYVCONTB-UHFFFAOYSA-N 0 1 299.374 2.808 20 30 CFEDMN CCN(Cc1ccc(C#N)cc1OC(F)F)[C@@H]1CCOC1 ZINC000361586970 521298512 /nfs/dbraw/zinc/29/85/12/521298512.db2.gz BAIXMNIMVJFMKL-CYBMUJFWSA-N 0 1 296.317 2.770 20 30 CFEDMN COc1cc(C#N)ccc1OCCN(C)Cc1ccco1 ZINC000077247293 522041275 /nfs/dbraw/zinc/04/12/75/522041275.db2.gz GSZGRDZPVOJGEA-UHFFFAOYSA-N 0 1 286.331 2.671 20 30 CFEDMN CC[C@@H](O)[C@H]1CCCCN1Cc1cn2ccccc2c1C#N ZINC000074287580 523011662 /nfs/dbraw/zinc/01/16/62/523011662.db2.gz ZVMHYYNSFGZBKC-QZTJIDSGSA-N 0 1 297.402 2.936 20 30 CFEDMN CC[C@@H]1CN(CC)CCN1C(=O)Nc1cccc(C#N)c1 ZINC000334940002 523438785 /nfs/dbraw/zinc/43/87/85/523438785.db2.gz IXRZOGKZUAHKQH-OAHLLOKOSA-N 0 1 286.379 2.506 20 30 CFEDMN CO[C@@H]1CCN(Cc2cn3ccccc3c2C#N)C[C@H]1C ZINC000336276071 523686435 /nfs/dbraw/zinc/68/64/35/523686435.db2.gz GWESALMFZHREGO-CXAGYDPISA-N 0 1 283.375 2.668 20 30 CFEDMN CO[C@@H]1CCN(Cc2ccc(C#N)c(F)c2)CC1(C)C ZINC000336295618 523686613 /nfs/dbraw/zinc/68/66/13/523686613.db2.gz ZSVMUVPFXFLNRN-OAHLLOKOSA-N 0 1 276.355 2.944 20 30 CFEDMN CO[C@@H]1CCN(Cc2cccc(C#N)c2F)C[C@@H]1C ZINC000336257747 523688351 /nfs/dbraw/zinc/68/83/51/523688351.db2.gz STPVWQJXNHUTIA-SMDDNHRTSA-N 0 1 262.328 2.554 20 30 CFEDMN COCCN(Cc1cn2ccccc2c1C#N)CC(C)C ZINC000073617110 523769848 /nfs/dbraw/zinc/76/98/48/523769848.db2.gz WQWITQMGSHLKBQ-UHFFFAOYSA-N 0 1 285.391 2.915 20 30 CFEDMN C[C@@H]1CCCCCN1CC(=O)Nc1cccc(C#N)c1 ZINC000070409575 524084271 /nfs/dbraw/zinc/08/42/71/524084271.db2.gz UFGXZHJXTJBAQV-CYBMUJFWSA-N 0 1 271.364 2.761 20 30 CFEDMN COc1ccc(CN[C@H]2COc3ccccc32)cc1C#N ZINC000087824368 524094399 /nfs/dbraw/zinc/09/43/99/524094399.db2.gz CZBXSORWYZGTRY-HNNXBMFYSA-N 0 1 280.327 2.790 20 30 CFEDMN COc1ccc(F)cc1CNCc1ccc(C#N)cc1 ZINC000237172717 524314341 /nfs/dbraw/zinc/31/43/41/524314341.db2.gz ATEUUGWOMYECBK-UHFFFAOYSA-N 0 1 270.307 2.996 20 30 CFEDMN C[C@H]1CC[C@H](C)N(CC(=O)Nc2ccc(C#N)cc2)C1 ZINC000088704546 524393179 /nfs/dbraw/zinc/39/31/79/524393179.db2.gz JYMFLDTWRWUHFU-STQMWFEESA-N 0 1 271.364 2.617 20 30 CFEDMN N#Cc1cccc(C2(c3nc(C4(N)CCCC4)no3)CC2)c1 ZINC000414615831 534803284 /nfs/dbraw/zinc/80/32/84/534803284.db2.gz JBCXZYRMMYNCNI-UHFFFAOYSA-N 0 1 294.358 2.749 20 30 CFEDMN Cc1cc(C[C@@H](C)NC(=O)Nc2cc(C#N)ccc2C)n[nH]1 ZINC000158789833 524826790 /nfs/dbraw/zinc/82/67/90/524826790.db2.gz DZRNKUOXLWXNIY-LLVKDONJSA-N 0 1 297.362 2.651 20 30 CFEDMN Cc1cc(NS(=O)(=O)c2ccccc2C#N)ccc1F ZINC000061119803 525290943 /nfs/dbraw/zinc/29/09/43/525290943.db2.gz XTWCQZFDWGFIPA-UHFFFAOYSA-N 0 1 290.319 2.807 20 30 CFEDMN Cc1n[nH]cc1CN(C)[C@@H](C)c1cccc(C#N)c1 ZINC000425368116 534853647 /nfs/dbraw/zinc/85/36/47/534853647.db2.gz VUMKYUACOAMVAZ-LBPRGKRZSA-N 0 1 254.337 2.783 20 30 CFEDMN Cc1nc(C)c(CNC(=O)[C@@H]2CCCc3[nH]ncc32)o1 ZINC000329155899 534881541 /nfs/dbraw/zinc/88/15/41/534881541.db2.gz CLSAOQORTONKLK-SNVBAGLBSA-N 0 1 274.324 2.591 20 30 CFEDMN N#Cc1cc(CN(CCO)Cc2ccccc2)ccc1F ZINC000229748579 526547958 /nfs/dbraw/zinc/54/79/58/526547958.db2.gz HSXGWWDJNOYOGV-UHFFFAOYSA-N 0 1 284.334 2.692 20 30 CFEDMN N#Cc1cc(CN2CCC(c3c[nH]cn3)CC2)ccc1F ZINC000334919012 526548602 /nfs/dbraw/zinc/54/86/02/526548602.db2.gz LXEHALZCSWJFFW-UHFFFAOYSA-N 0 1 284.338 2.800 20 30 CFEDMN Cc1[nH]ncc1CNC(=O)Nc1ccc(C#N)c(Cl)c1 ZINC000334174487 526551054 /nfs/dbraw/zinc/55/10/54/526551054.db2.gz CCYMBJGWWMVAGW-UHFFFAOYSA-N 0 1 289.726 2.565 20 30 CFEDMN CN(Cc1cc(C(C)(C)C)[nH]n1)c1ccc(C#N)cn1 ZINC000444880193 536456380 /nfs/dbraw/zinc/45/63/80/536456380.db2.gz YYNTZHPBRRFTLZ-UHFFFAOYSA-N 0 1 269.352 2.610 20 30 CFEDMN N#Cc1ccc(CN(CCO)C2CCC2)c(Cl)c1 ZINC000221160281 526609722 /nfs/dbraw/zinc/60/97/22/526609722.db2.gz POQCSURINOUMFN-UHFFFAOYSA-N 0 1 264.756 2.558 20 30 CFEDMN N#Cc1ccc(CN2CC[C@@H](Oc3ccccc3)C2)o1 ZINC000374256915 526616866 /nfs/dbraw/zinc/61/68/66/526616866.db2.gz BLQUIRZBAUVMHF-MRXNPFEDSA-N 0 1 268.316 2.805 20 30 CFEDMN N#Cc1ccc(CNCc2ccc3c(c2)OCCO3)c(F)c1 ZINC000066608910 526623805 /nfs/dbraw/zinc/62/38/05/526623805.db2.gz FJBKJDXQDDSWSD-UHFFFAOYSA-N 0 1 298.317 2.758 20 30 CFEDMN N#Cc1ccc(CN[C@H]2COCc3ccccc32)s1 ZINC000334939842 526627040 /nfs/dbraw/zinc/62/70/40/526627040.db2.gz XMLLOOKVSAAUTE-HNNXBMFYSA-N 0 1 270.357 2.981 20 30 CFEDMN N#Cc1ccc(NC(=O)CN2CCC[C@@H]3CCC[C@@H]32)cc1 ZINC000087770990 526651136 /nfs/dbraw/zinc/65/11/36/526651136.db2.gz ONPKNMFKCCMCJC-HOCLYGCPSA-N 0 1 283.375 2.761 20 30 CFEDMN C=CCOCCCSc1nc(-c2ccccn2)n[nH]1 ZINC000356057268 526764020 /nfs/dbraw/zinc/76/40/20/526764020.db2.gz IKNWHRLQJHUODF-UHFFFAOYSA-N 0 1 276.365 2.552 20 30 CFEDMN N#Cc1ccsc1NC(=O)CN1CCCC12CCCC2 ZINC000364838169 526770744 /nfs/dbraw/zinc/77/07/44/526770744.db2.gz JJMVGRYPCJUGGF-UHFFFAOYSA-N 0 1 289.404 2.967 20 30 CFEDMN C=CCC(C)(C)CNC(=O)[C@H]1CCCc2[nH]cnc21 ZINC000352544640 527013057 /nfs/dbraw/zinc/01/30/57/527013057.db2.gz BURWWVZVPYXSLY-NSHDSACASA-N 0 1 261.369 2.548 20 30 CFEDMN C=CC[C@@H](C)NC(=O)c1n[nH]c2ccc(Cl)cc21 ZINC000353792954 527031719 /nfs/dbraw/zinc/03/17/19/527031719.db2.gz ZXUMXUVONHUETM-MRVPVSSYSA-N 0 1 263.728 2.911 20 30 CFEDMN C=CC[C@H](CC)NS(=O)(=O)c1c(F)cccc1F ZINC000353176524 527163424 /nfs/dbraw/zinc/16/34/24/527163424.db2.gz GXGNDNOWLDNNRX-VIFPVBQESA-N 0 1 275.320 2.598 20 30 CFEDMN C=CCCOCCCCC(=O)Nc1nc(C2CCC2)n[nH]1 ZINC000354325514 527337528 /nfs/dbraw/zinc/33/75/28/527337528.db2.gz HYJGFEVSEXWJCZ-UHFFFAOYSA-N 0 1 292.383 2.774 20 30 CFEDMN C=CCCOCCCCC(=O)Nc1n[nH]c(C2CCC2)n1 ZINC000354325514 527337534 /nfs/dbraw/zinc/33/75/34/527337534.db2.gz HYJGFEVSEXWJCZ-UHFFFAOYSA-N 0 1 292.383 2.774 20 30 CFEDMN CC(C)([C@@H](NCC#N)c1ccc(F)c(F)c1)N1CCCC1 ZINC000347363622 527377364 /nfs/dbraw/zinc/37/73/64/527377364.db2.gz MZYWWZFHUCMBEL-HNNXBMFYSA-N 0 1 293.361 2.993 20 30 CFEDMN CC(C)(C#N)CCN(CCO)Cc1cccc(F)c1 ZINC000347135364 527466179 /nfs/dbraw/zinc/46/61/79/527466179.db2.gz SROLYYSZKULICA-UHFFFAOYSA-N 0 1 264.344 2.560 20 30 CFEDMN C=CCC[C@H](O)CN1[C@H](C)COC[C@H]1c1ccccc1 ZINC000347495926 527494262 /nfs/dbraw/zinc/49/42/62/527494262.db2.gz YFZATXHBVSSNOY-PVAVHDDUSA-N 0 1 275.392 2.776 20 30 CFEDMN C=C[C@H]1CCCCN1C(=O)c1cccc2n[nH]cc21 ZINC000336465255 527603871 /nfs/dbraw/zinc/60/38/71/527603871.db2.gz TVMHDTFVOXJHOB-NSHDSACASA-N 0 1 255.321 2.744 20 30 CFEDMN C=C[C@H]1CCCCN1Cc1ccc2c(c1)oc(=O)n2C ZINC000335974562 527605618 /nfs/dbraw/zinc/60/56/18/527605618.db2.gz VYPDJTZNNUJCAG-ZDUSSCGKSA-N 0 1 272.348 2.672 20 30 CFEDMN Cc1nn(C)c(C)c1CN[C@@H]1CCc2ccc(C#N)cc21 ZINC000335183496 527638141 /nfs/dbraw/zinc/63/81/41/527638141.db2.gz WQRFONJCOZGYQA-QGZVFWFLSA-N 0 1 280.375 2.686 20 30 CFEDMN Cc1nn(C)cc1[C@@H](C)NCc1ccc(C#N)c(F)c1 ZINC000361860168 527696904 /nfs/dbraw/zinc/69/69/04/527696904.db2.gz KNJSYJWKJDROCJ-SNVBAGLBSA-N 0 1 272.327 2.590 20 30 CFEDMN CCN(C([O-])=[NH+][C@@H]1CCn2ccnc2C1)C1CCCCC1 ZINC000330284199 528904101 /nfs/dbraw/zinc/90/41/01/528904101.db2.gz XEEZNTWCUIYJDX-CYBMUJFWSA-N 0 1 290.411 2.767 20 30 CFEDMN CCC1(CC)CCN(C([O-])=[NH+][C@@H]2CCn3ccnc3C2)C1 ZINC000330202216 529043707 /nfs/dbraw/zinc/04/37/07/529043707.db2.gz YYZIFVOPPSBCHM-CYBMUJFWSA-N 0 1 290.411 2.624 20 30 CFEDMN CC[C@](C)(C#N)C(=O)N1CCN(CCC(C)(C)C)CC1 ZINC000350720476 529347293 /nfs/dbraw/zinc/34/72/93/529347293.db2.gz PTRAXSLNZVEGKY-MRXNPFEDSA-N 0 1 279.428 2.507 20 30 CFEDMN CC[C@@H](C)N1CCN(C(=O)Nc2ccc(C#N)cc2)CC1 ZINC000243077600 535561262 /nfs/dbraw/zinc/56/12/62/535561262.db2.gz IOUUWJLUDAMKMA-CYBMUJFWSA-N 0 1 286.379 2.506 20 30 CFEDMN CN(Cc1ccccc1)C1CN(Cc2ccc(C#N)s2)C1 ZINC000459592677 536480083 /nfs/dbraw/zinc/48/00/83/536480083.db2.gz NETACEZVDXVVAR-UHFFFAOYSA-N 0 1 297.427 2.936 20 30 CFEDMN C=C[C@H](C)NC(=O)[C@H]1CCCCN1Cc1ccccc1 ZINC000155856713 545573502 /nfs/dbraw/zinc/57/35/02/545573502.db2.gz ZQIRDOWRNNNNGG-GOEBONIOSA-N 0 1 272.392 2.732 20 30 CFEDMN Cc1cc([C@@H](C#N)C(=O)[C@H]2Cc3ccccc32)nc(C)n1 ZINC000744026468 574049818 /nfs/dbraw/zinc/04/98/18/574049818.db2.gz NOSAIMFKXPPMBK-LSDHHAIUSA-N 0 1 277.327 2.610 20 30 CFEDMN C(=NNC1=N[C@H]2CCCC[C@@H]2N1)c1coc2ccccc12 ZINC000753931531 574055501 /nfs/dbraw/zinc/05/55/01/574055501.db2.gz ZOOLQDWCNUQXDN-KBPBESRZSA-N 0 1 282.347 2.627 20 30 CFEDMN Fc1c(Cl)cccc1C=NNC1=N[C@@H]2CCCC[C@@H]2N1 ZINC000753934207 574055875 /nfs/dbraw/zinc/05/58/75/574055875.db2.gz HJRQPCPGEAHXGX-TXEJJXNPSA-N 0 1 294.761 2.673 20 30 CFEDMN Fc1ccc(CC=CN=NC2=N[C@@H]3CCCC[C@@H]3N2)cc1 ZINC000753935681 574056111 /nfs/dbraw/zinc/05/61/11/574056111.db2.gz PFPJTFJKVCXBMY-XASAOPFBSA-N 0 1 286.354 2.685 20 30 CFEDMN C(=NNC1=N[C@@H]2CCCC[C@@H]2N1)c1cc2ccccc2o1 ZINC000753935861 574056422 /nfs/dbraw/zinc/05/64/22/574056422.db2.gz PQYBZSXMEVCQAQ-OKILXGFUSA-N 0 1 282.347 2.627 20 30 CFEDMN Fc1ccc2c(C=NNC3=N[C@@H]4CCCC[C@H]4N3)c[nH]c2c1 ZINC000753936123 574056495 /nfs/dbraw/zinc/05/64/95/574056495.db2.gz RRHKTEVMLSXIHL-ZIAGYGMSSA-N 0 1 299.353 2.501 20 30 CFEDMN Fc1ccc(C=NNC2=N[C@H]3CCCC[C@@H]3N2)c(Cl)c1 ZINC000753937924 574056710 /nfs/dbraw/zinc/05/67/10/574056710.db2.gz HTOOBZHQUNDWDW-STQMWFEESA-N 0 1 294.761 2.673 20 30 CFEDMN CO[C@H](C)C(=O)C(C#N)c1nc2cc(F)ccc2s1 ZINC000730416327 574080578 /nfs/dbraw/zinc/08/05/78/574080578.db2.gz CLBRVQYPEBOZLC-VXNVDRBHSA-N 0 1 278.308 2.647 20 30 CFEDMN CC(C)[N@@H+]1CC(N=Nc2ccc(C(=O)[O-])cc2)[C@H](C)C1 ZINC000754256673 574084347 /nfs/dbraw/zinc/08/43/47/574084347.db2.gz YMEWCSCROXZDEO-LLVKDONJSA-N 0 1 275.352 2.513 20 30 CFEDMN C#C[C@H](CC)NC(=O)[C@H](c1ccccc1)N(CC)CC ZINC000754379197 574092245 /nfs/dbraw/zinc/09/22/45/574092245.db2.gz KCEMUGJOLQUWAT-CVEARBPZSA-N 0 1 272.392 2.598 20 30 CFEDMN C#C[C@@H](CC)NC(=O)[C@@H]1CCCCN1Cc1ccccc1 ZINC000754390021 574093467 /nfs/dbraw/zinc/09/34/67/574093467.db2.gz IVVSOULVWSOXFR-IRXDYDNUSA-N 0 1 284.403 2.569 20 30 CFEDMN C=CCCC[N@@H+]1CCCC[C@@H]1[C@@H]1CCCN1C(=O)[O-] ZINC000738493920 574095629 /nfs/dbraw/zinc/09/56/29/574095629.db2.gz TWKNYOQWBGCKSK-KGLIPLIRSA-N 0 1 266.385 2.950 20 30 CFEDMN Cc1n[nH]c(C)c1/C=C/C(=O)c1ccc(O)c(F)c1 ZINC000728438831 574096487 /nfs/dbraw/zinc/09/64/87/574096487.db2.gz QABFLKRDWLAYPQ-GQCTYLIASA-N 0 1 260.268 2.767 20 30 CFEDMN Cc1nc2c(s1)C(=NNCCN1CCCCC1)CCC2 ZINC000730948052 574104888 /nfs/dbraw/zinc/10/48/88/574104888.db2.gz VYPCNOZCVPXLKH-UHFFFAOYSA-N 0 1 292.452 2.567 20 30 CFEDMN CC(C)CN(CCC#N)C(=O)c1cccc2c[nH]nc21 ZINC000745382505 574111743 /nfs/dbraw/zinc/11/17/43/574111743.db2.gz KNWYTIVKQHWUEX-UHFFFAOYSA-N 0 1 270.336 2.575 20 30 CFEDMN C=CCN(C(=O)c1cc(C)cc2c[nH]nc21)C(C)C ZINC000728868415 574131611 /nfs/dbraw/zinc/13/16/11/574131611.db2.gz JZPUKYKMFIYHIW-UHFFFAOYSA-N 0 1 257.337 2.908 20 30 CFEDMN CC(N=Nc1ccncc1Cl)c1ccccc1O ZINC000756842032 574132479 /nfs/dbraw/zinc/13/24/79/574132479.db2.gz IOIVISDCFBTTSI-UHFFFAOYSA-N 0 1 261.712 2.699 20 30 CFEDMN CCCCCCCCC/C=C\C(=O)Nc1nn[nH]n1 ZINC000737860122 574153750 /nfs/dbraw/zinc/15/37/50/574153750.db2.gz ZDFCCRCRWCBIEN-KHPPLWFESA-N 0 1 265.361 2.835 20 30 CFEDMN CCCCCCCCC/C=C/C(=O)Nc1nn[nH]n1 ZINC000737860123 574153782 /nfs/dbraw/zinc/15/37/82/574153782.db2.gz ZDFCCRCRWCBIEN-ZHACJKMWSA-N 0 1 265.361 2.835 20 30 CFEDMN C[C@H]1CN(C)CC1N=Nc1ccc2ccccc2n1 ZINC000752153925 574159938 /nfs/dbraw/zinc/15/99/38/574159938.db2.gz AHVPLNDKDYMHJI-NSHDSACASA-N 0 1 254.337 2.584 20 30 CFEDMN CCn1cc(C=NNc2ccc(Br)cn2)cn1 ZINC000732532106 574160417 /nfs/dbraw/zinc/16/04/17/574160417.db2.gz DCMHZXOOXSNYPL-UHFFFAOYSA-N 0 1 294.156 2.507 20 30 CFEDMN COc1cc([N+](=O)[O-])ccc1NN=C(C)c1ccccn1 ZINC000746680078 574162780 /nfs/dbraw/zinc/16/27/80/574162780.db2.gz PGXYUUHIFRBQHP-UHFFFAOYSA-N 0 1 286.291 2.835 20 30 CFEDMN Cc1cc(=O)nc(NN=C[C@@H]2C[C@@H]2c2ccccc2)[nH]1 ZINC000755463420 574163754 /nfs/dbraw/zinc/16/37/54/574163754.db2.gz IOSHDFNBSVPOAW-QWHCGFSZSA-N 0 1 268.320 2.692 20 30 CFEDMN CC(=O)Nc1ccccc1C=NN=c1[nH]c2ccccc2[nH]1 ZINC000755488634 574165478 /nfs/dbraw/zinc/16/54/78/574165478.db2.gz PXKASZLXQABMIS-UHFFFAOYSA-N 0 1 293.330 2.967 20 30 CFEDMN CC(C)NC(=O)C(C#N)C(=O)[C@H](C)CCC(C)(C)C ZINC000755604897 574171517 /nfs/dbraw/zinc/17/15/17/574171517.db2.gz VPYBCGNMLZAOKS-NEPJUHHUSA-N 0 1 266.385 2.682 20 30 CFEDMN CC(C)(C)C=Nn1c(=O)c2ccccc2[nH]c1=S ZINC000755617578 574171894 /nfs/dbraw/zinc/17/18/94/574171894.db2.gz PCVFICPQRPGSGD-UHFFFAOYSA-N 0 1 261.350 2.565 20 30 CFEDMN CC[C@H](C)C=Nn1c(=O)c2ccccc2[nH]c1=S ZINC000755617543 574171982 /nfs/dbraw/zinc/17/19/82/574171982.db2.gz NMDOJKMGVINTAW-VIFPVBQESA-N 0 1 261.350 2.565 20 30 CFEDMN COc1nc(Cl)c(C=N[N-]c2ccc(C)c[nH+]2)s1 ZINC000755689157 574178018 /nfs/dbraw/zinc/17/80/18/574178018.db2.gz LTXHACRIVUYKRO-UHFFFAOYSA-N 0 1 282.756 2.955 20 30 CFEDMN Cc1nn(C)cc1CN=Nc1ccc([N+](=O)[O-])cc1Cl ZINC000755689175 574178093 /nfs/dbraw/zinc/17/80/93/574178093.db2.gz LZYCNKWQAVNDFK-UHFFFAOYSA-N 0 1 293.714 2.736 20 30 CFEDMN Clc1nc(Cl)c(C=NNc2cccnn2)s1 ZINC000755732703 574182744 /nfs/dbraw/zinc/18/27/44/574182744.db2.gz HYYMCBULZKJOEQ-UHFFFAOYSA-N 0 1 274.136 2.686 20 30 CFEDMN CN1CCc2cc(C=NO[C@H]3CCCCO3)ccc21 ZINC000755822560 574189930 /nfs/dbraw/zinc/18/99/30/574189930.db2.gz VOLMOAVRSZSIAR-HNNXBMFYSA-N 0 1 260.337 2.556 20 30 CFEDMN COc1cc(CN=Nc2cc(C)ccn2)cc2c1OCCO2 ZINC000755900818 574195554 /nfs/dbraw/zinc/19/55/54/574195554.db2.gz PGNGIVIGOWEZTQ-UHFFFAOYSA-N 0 1 299.330 2.616 20 30 CFEDMN Cc1ccnc(NN=C2C(=O)Nc3c2c(C)ccc3F)c1 ZINC000755904119 574195993 /nfs/dbraw/zinc/19/59/93/574195993.db2.gz AVDSFDOBBMJPMX-UHFFFAOYSA-N 0 1 284.294 2.606 20 30 CFEDMN COCc1ccc(C=NNc2cc(C)ccn2)cc1 ZINC000755907425 574196544 /nfs/dbraw/zinc/19/65/44/574196544.db2.gz ZFQXCZGMUILGRP-UHFFFAOYSA-N 0 1 255.321 2.982 20 30 CFEDMN Cc1ccnc(NN=C2c3cc(Cl)ccc3NC2=O)c1 ZINC000755907195 574196861 /nfs/dbraw/zinc/19/68/61/574196861.db2.gz XIZURUJFRUDOHR-UHFFFAOYSA-N 0 1 286.722 2.812 20 30 CFEDMN Cc1cc(C(C#N)C(=O)[C@H]2CC23CCCC3)nc(C)n1 ZINC000747480018 574197480 /nfs/dbraw/zinc/19/74/80/574197480.db2.gz QIVNLTVGDBIRKG-QWHCGFSZSA-N 0 1 269.348 2.850 20 30 CFEDMN CN(C)c1nc(=NN=Cc2c[nH]c3cc(F)ccc23)cc[nH]1 ZINC000739411286 574212397 /nfs/dbraw/zinc/21/23/97/574212397.db2.gz JILRGZLSDGVPAP-UHFFFAOYSA-N 0 1 298.325 2.609 20 30 CFEDMN Cc1cccc(C=NN=c2cc[nH]c(N(C)C)n2)c1C ZINC000739418671 574212900 /nfs/dbraw/zinc/21/29/00/574212900.db2.gz ZRXNPTQPCXITNO-UHFFFAOYSA-N 0 1 269.352 2.605 20 30 CFEDMN C[C@@H]1CCC[C@H](OCC(=O)Nc2cc(C#N)ccc2O)C1 ZINC000748005438 574224692 /nfs/dbraw/zinc/22/46/92/574224692.db2.gz KKASLFUHEWNMLC-YPMHNXCESA-N 0 1 288.347 2.798 20 30 CFEDMN CC(CSC(C)(C)C)=NNCCN1CCCCC1 ZINC000729637750 574224918 /nfs/dbraw/zinc/22/49/18/574224918.db2.gz SPVHQKPIDPXKGC-UHFFFAOYSA-N 0 1 271.474 2.970 20 30 CFEDMN C#CCN1CCC[C@H]1COC(=O)C[C@H](CC)C(C)C ZINC000729812358 574232755 /nfs/dbraw/zinc/23/27/55/574232755.db2.gz SWJBEBBWBZTRHF-GJZGRUSLSA-N 0 1 265.397 2.700 20 30 CFEDMN C#CCN1CCC[C@@H]1COC(=O)CCc1ccccc1C ZINC000729812074 574233354 /nfs/dbraw/zinc/23/33/54/574233354.db2.gz KXJAESBGZPWUHA-QGZVFWFLSA-N 0 1 285.387 2.568 20 30 CFEDMN C=CCOCC(=O)C(C#N)c1nc2ccccc2s1 ZINC000729890772 574235333 /nfs/dbraw/zinc/23/53/33/574235333.db2.gz OGAGUNWNGJMNHU-JTQLQIEISA-N 0 1 272.329 2.675 20 30 CFEDMN Cc1ccc(NN=Cc2csc(C3CC3)n2)nn1 ZINC000729937887 574238857 /nfs/dbraw/zinc/23/88/57/574238857.db2.gz JMYGAMPFOGAPTH-UHFFFAOYSA-N 0 1 259.338 2.565 20 30 CFEDMN Cc1ccc(N=NCc2cnc(-c3ccccc3)nc2)nn1 ZINC000729938423 574239225 /nfs/dbraw/zinc/23/92/25/574239225.db2.gz UTMPOHYBSXPNGR-UHFFFAOYSA-N 0 1 290.330 2.688 20 30 CFEDMN C=CCCCC(=O)OCC(=O)[C@@H](C#N)c1nc(C)cs1 ZINC000748241227 574242509 /nfs/dbraw/zinc/24/25/09/574242509.db2.gz ZXMMINTXCWDSNZ-LLVKDONJSA-N 0 1 292.360 2.527 20 30 CFEDMN C=CCCCC(=O)OCC(=O)C(C#N)c1nc(C)cs1 ZINC000748241227 574242510 /nfs/dbraw/zinc/24/25/10/574242510.db2.gz ZXMMINTXCWDSNZ-LLVKDONJSA-N 0 1 292.360 2.527 20 30 CFEDMN C#CCN1CCC[C@@H]1COC(=O)CCCc1cccs1 ZINC000756548367 574245915 /nfs/dbraw/zinc/24/59/15/574245915.db2.gz PSLFLEUZFYEXQI-CQSZACIVSA-N 0 1 291.416 2.712 20 30 CFEDMN C#CCN1CCC[C@H]1COC(=O)c1ccccc1Cl ZINC000756543981 574245923 /nfs/dbraw/zinc/24/59/23/574245923.db2.gz SSPFVBZCIAVZTI-LBPRGKRZSA-N 0 1 277.751 2.594 20 30 CFEDMN COc1ccc(C(=O)Nc2cc(C#N)ccc2O)c(F)c1 ZINC000748410118 574250921 /nfs/dbraw/zinc/25/09/21/574250921.db2.gz BSOPFGFBFDYFQV-UHFFFAOYSA-N 0 1 286.262 2.664 20 30 CFEDMN Cc1ccc([C@H](C)C(=O)Nc2cc(C#N)ccc2O)o1 ZINC000748410258 574251056 /nfs/dbraw/zinc/25/10/56/574251056.db2.gz GCUIJLXJBZFCAQ-JTQLQIEISA-N 0 1 270.288 2.908 20 30 CFEDMN CC(=NNc1cnnc2ccccc21)c1nccs1 ZINC000733747978 574254813 /nfs/dbraw/zinc/25/48/13/574254813.db2.gz AGKSNXOPQCLIOO-UHFFFAOYSA-N 0 1 269.333 2.922 20 30 CFEDMN COc1ccc(CN=Nc2cnnc3ccccc23)cc1O ZINC000733750187 574255345 /nfs/dbraw/zinc/25/53/45/574255345.db2.gz OYDFZIVGPRMDIP-UHFFFAOYSA-N 0 1 294.314 2.790 20 30 CFEDMN COc1ccc(C)cc1CN=Nc1ccncc1Cl ZINC000756837480 574266969 /nfs/dbraw/zinc/26/69/69/574266969.db2.gz AHLWELZMGNCBNG-UHFFFAOYSA-N 0 1 275.739 2.920 20 30 CFEDMN CCCCCCCN1CCN(c2nc(C)ns2)CC1 ZINC000748823099 574269808 /nfs/dbraw/zinc/26/98/08/574269808.db2.gz MQQDCIHRCPAVOR-UHFFFAOYSA-N 0 1 282.457 2.939 20 30 CFEDMN CCCCCCCCN1CCN(C(=O)[C@H]2CCCO2)CC1 ZINC000740874066 574272329 /nfs/dbraw/zinc/27/23/29/574272329.db2.gz XGZBWHORUWXASW-MRXNPFEDSA-N 0 1 296.455 2.670 20 30 CFEDMN CC[C@@H](C(=O)OCc1ccc(C#N)cc1)N(CC)CC ZINC000741034141 574279068 /nfs/dbraw/zinc/27/90/68/574279068.db2.gz YMAAYLMYLAOPPW-HNNXBMFYSA-N 0 1 274.364 2.722 20 30 CFEDMN C#CCN(CC)Cc1cc2c(c(Br)c1)OCO2 ZINC000749159282 574282966 /nfs/dbraw/zinc/28/29/66/574282966.db2.gz BPUDENLXTISHSD-UHFFFAOYSA-N 0 1 296.164 2.633 20 30 CFEDMN C=CCCO[C@H](C)C(=O)Nc1ccc(CN(C)C)c(F)c1 ZINC000749250580 574286438 /nfs/dbraw/zinc/28/64/38/574286438.db2.gz LLXMBHCHAYXKHB-GFCCVEGCSA-N 0 1 294.370 2.807 20 30 CFEDMN c1nc(-c2ccccc2)[nH]c1CN=Nc1ccccn1 ZINC000741455058 574290951 /nfs/dbraw/zinc/29/09/51/574290951.db2.gz HOLYWKLGQSOOJD-UHFFFAOYSA-N 0 1 263.304 2.918 20 30 CFEDMN C(=NNc1ccccn1)c1cnc(-c2ccccc2)[nH]1 ZINC000741455058 574290954 /nfs/dbraw/zinc/29/09/54/574290954.db2.gz HOLYWKLGQSOOJD-UHFFFAOYSA-N 0 1 263.304 2.918 20 30 CFEDMN Cc1ccc(NN=Cc2cnc3[nH]cccc2-3)nc1 ZINC000741761903 574301425 /nfs/dbraw/zinc/30/14/25/574301425.db2.gz QDXNSNLJKYYGSH-UHFFFAOYSA-N 0 1 251.293 2.712 20 30 CFEDMN Cc1nc(Cl)cc(NN=C2COc3ccc(F)cc32)n1 ZINC000741767204 574302122 /nfs/dbraw/zinc/30/21/22/574302122.db2.gz RYYRWJYSPBWKEA-UHFFFAOYSA-N 0 1 292.701 2.786 20 30 CFEDMN Cc1ccc([N+](=O)[O-])cc1N=NCc1ccn(C)c1 ZINC000749856012 574312985 /nfs/dbraw/zinc/31/29/85/574312985.db2.gz ZUXAEXHGBPQHQG-UHFFFAOYSA-N 0 1 258.281 2.688 20 30 CFEDMN CC(C)(CCC#N)CNCc1cnn(-c2ccccc2)n1 ZINC000742367228 574324652 /nfs/dbraw/zinc/32/46/52/574324652.db2.gz LMIPVWVDFLGVDT-UHFFFAOYSA-N 0 1 283.379 2.687 20 30 CFEDMN N#Cc1ccc(F)c(CNCc2ccc3c[nH]nc3c2)c1 ZINC000742382066 574326543 /nfs/dbraw/zinc/32/65/43/574326543.db2.gz ZZMFUQYDVKTIJV-UHFFFAOYSA-N 0 1 280.306 2.863 20 30 CFEDMN Fc1cccc(N2CCCC2)c1CN=Nc1cccnn1 ZINC000735974782 574345763 /nfs/dbraw/zinc/34/57/63/574345763.db2.gz OCLDPHSUGKPWHO-UHFFFAOYSA-N 0 1 285.326 2.662 20 30 CFEDMN C[C@H](C(=O)C(C#N)C(=O)NC1CCCC1)C1CCCC1 ZINC000750690968 574351059 /nfs/dbraw/zinc/35/10/59/574351059.db2.gz VWOZXGDTGODVEA-FZMZJTMJSA-N 0 1 276.380 2.580 20 30 CFEDMN Cc1ncsc1CN=Nc1ccccc1[N+](=O)[O-] ZINC000743418108 574363126 /nfs/dbraw/zinc/36/31/26/574363126.db2.gz UBKGWAHNUFOHIU-UHFFFAOYSA-N 0 1 262.294 2.806 20 30 CFEDMN Cc1cc(=O)nc(NN=C2Cc3ccc(Cl)cc3C2)[nH]1 ZINC000743419454 574363736 /nfs/dbraw/zinc/36/37/36/574363736.db2.gz WDFCPQPYLLXTDR-UHFFFAOYSA-N 0 1 288.738 2.711 20 30 CFEDMN Cc1cc(=O)[nH]c(N=NC2Cc3ccc(Cl)cc3C2)n1 ZINC000743419454 574363739 /nfs/dbraw/zinc/36/37/39/574363739.db2.gz WDFCPQPYLLXTDR-UHFFFAOYSA-N 0 1 288.738 2.711 20 30 CFEDMN N#Cc1ccc(NN=Cc2cc(-c3cccnc3)[nH]n2)cc1 ZINC000743437541 574364590 /nfs/dbraw/zinc/36/45/90/574364590.db2.gz NFYDFAMVELHBDI-UHFFFAOYSA-N 0 1 288.314 2.789 20 30 CFEDMN COCc1cccc(C=NNc2ccc(F)cn2)c1 ZINC000743441087 574364960 /nfs/dbraw/zinc/36/49/60/574364960.db2.gz BVFNJASPGOFCEH-UHFFFAOYSA-N 0 1 259.284 2.813 20 30 CFEDMN Oc1ccc(CN=Nc2cccc(F)c2F)cc1O ZINC000743443278 574364990 /nfs/dbraw/zinc/36/49/90/574364990.db2.gz UWVYZARJAWALLT-UHFFFAOYSA-N 0 1 264.231 2.822 20 30 CFEDMN Cc1cc(C(C#N)C(=O)[C@H]2[C@@H]3CCCC[C@@H]32)nc(C)n1 ZINC000751152410 574370190 /nfs/dbraw/zinc/37/01/90/574370190.db2.gz JXVDSFJHDWVAGQ-SFDCQRBFSA-N 0 1 269.348 2.706 20 30 CFEDMN O=C1c2cccc(O)c2C/C1=C\c1cc(O)ccc1[N+](=O)[O-] ZINC000751205435 574371858 /nfs/dbraw/zinc/37/18/58/574371858.db2.gz FDNGUTZINHWPJU-UXBLZVDNSA-N 0 1 297.266 2.828 20 30 CFEDMN CN(CC(=O)N(CCC#N)c1ccc(F)cc1)C1CCC1 ZINC000743853083 574374264 /nfs/dbraw/zinc/37/42/64/574374264.db2.gz QNGSJCMWKHPNBU-UHFFFAOYSA-N 0 1 289.354 2.557 20 30 CFEDMN Cc1cccc2nc([C@@H](C#N)C(=O)CCOCC3CC3)[nH]c21 ZINC000751844448 574383684 /nfs/dbraw/zinc/38/36/84/574383684.db2.gz QJFDDAHFTWTOAU-ZDUSSCGKSA-N 0 1 297.358 2.864 20 30 CFEDMN CCn1nccc1C=NNc1ccc(C(F)(F)F)cn1 ZINC000753693820 574408162 /nfs/dbraw/zinc/40/81/62/574408162.db2.gz ZYRHYLJMPHAFHI-UHFFFAOYSA-N 0 1 283.257 2.763 20 30 CFEDMN C#CCOc1ccccc1NC(=O)[C@@H]1CCCN1C(C)C ZINC000935469276 649910787 /nfs/dbraw/zinc/91/07/87/649910787.db2.gz ZINFMFFQWQIGNB-HNNXBMFYSA-N 0 1 286.375 2.510 20 30 CFEDMN CC[C@@H](C)CN=Nc1oc(C(C)(C)C)nc1-c1nn[nH]n1 ZINC000825059685 607887305 /nfs/dbraw/zinc/88/73/05/607887305.db2.gz IRHGMMMBBVJLQP-MRVPVSSYSA-N 0 1 291.359 2.596 20 30 CFEDMN CCCC[C@@H](C(=O)[O-])[N@@H+](C)Cc1cccc(C#N)c1 ZINC000132639534 600985408 /nfs/dbraw/zinc/98/54/08/600985408.db2.gz NIJGECDNSJFTBE-AWEZNQCLSA-N 0 1 260.337 2.633 20 30 CFEDMN C[N@@H+](Cc1cccc(F)c1)[C@@H](C(=O)[O-])c1cccc(C#N)c1 ZINC000830844841 601309484 /nfs/dbraw/zinc/30/94/84/601309484.db2.gz JBOZDHXDSCFUAQ-MRXNPFEDSA-N 0 1 298.317 2.955 20 30 CFEDMN C[N@@H+](Cc1ccc(F)cc1)[C@@H](C(=O)[O-])c1cccc(C#N)c1 ZINC000830825480 601309520 /nfs/dbraw/zinc/30/95/20/601309520.db2.gz YNJBHXNVAOXEEL-MRXNPFEDSA-N 0 1 298.317 2.955 20 30 CFEDMN C[C@H]1CCC[N@H+]([C@H](C(=O)[O-])c2cccc(C#N)c2)CC1 ZINC000828265580 601315236 /nfs/dbraw/zinc/31/52/36/601315236.db2.gz CYXIMNCFVNDMSO-WFASDCNBSA-N 0 1 272.348 2.806 20 30 CFEDMN CC[C@@H](C)C[N@@H+](C)[C@H](C(=O)[O-])c1cccc(C#N)c1 ZINC000828747248 601317663 /nfs/dbraw/zinc/31/76/63/601317663.db2.gz MKZCXQREEZJJFE-RISCZKNCSA-N 0 1 260.337 2.662 20 30 CFEDMN N#CCCC[N@@H+]1C[C@H](C2CCCCC2)C[C@H]1C(=O)[O-] ZINC000833065633 601432095 /nfs/dbraw/zinc/43/20/95/601432095.db2.gz IDZDTCGRULZBEI-KGLIPLIRSA-N 0 1 264.369 2.646 20 30 CFEDMN CC(C)C[N@H+](CCC#N)Cc1ccc(C(=O)[O-])c(F)c1 ZINC000232598899 601641167 /nfs/dbraw/zinc/64/11/67/601641167.db2.gz PKOCVDXMJAPSNP-UHFFFAOYSA-N 0 1 278.327 2.896 20 30 CFEDMN CC(C)C[N@@H+](CCC#N)Cc1ccc(C(=O)[O-])c(F)c1 ZINC000232598899 601641169 /nfs/dbraw/zinc/64/11/69/601641169.db2.gz PKOCVDXMJAPSNP-UHFFFAOYSA-N 0 1 278.327 2.896 20 30 CFEDMN C[N@@H+](Cc1ccc(C(=O)[O-])s1)Cc1cccc(C#N)c1 ZINC000109602249 601940139 /nfs/dbraw/zinc/94/01/39/601940139.db2.gz ZEYIGWNRRJAOTH-UHFFFAOYSA-N 0 1 286.356 2.950 20 30 CFEDMN CC[C@]1(C)CC[N@H+]([C@@H](C(=O)[O-])c2ccc(C#N)cc2)C1 ZINC000829049702 602239503 /nfs/dbraw/zinc/23/95/03/602239503.db2.gz DPTQMORYVMPLSG-GDBMZVCRSA-N 0 1 272.348 2.806 20 30 CFEDMN C[N@@H+](Cc1ccc(C#N)cc1)C1CCC(NC(=O)[O-])CC1 ZINC000828350424 603789749 /nfs/dbraw/zinc/78/97/49/603789749.db2.gz HILPLDOIGUFAFO-UHFFFAOYSA-N 0 1 287.363 2.569 20 30 CFEDMN C[C@H]1Cc2cn[nH]c2[C@@H](C(=O)N(C)c2cccc(C#N)c2)C1 ZINC000900377608 620667226 /nfs/dbraw/zinc/66/72/26/620667226.db2.gz XUFHSAHBQAHGOZ-NHYWBVRUSA-N 0 1 294.358 2.610 20 30 CFEDMN C[C@@H](NC(=O)[O-])[C@H]1CCC[N@@H+](CCCC(C)(C)C#N)C1 ZINC000825263203 604233503 /nfs/dbraw/zinc/23/35/03/604233503.db2.gz FNIZDGNFNOCFMA-OLZOCXBDSA-N 0 1 281.400 2.684 20 30 CFEDMN C#CCN(C(=O)[C@H]1c2cn[nH]c2CC[C@@H]1C)C1CCCCC1 ZINC000900411870 620672237 /nfs/dbraw/zinc/67/22/37/620672237.db2.gz GRSJHOMCBKWVKT-SUMWQHHRSA-N 0 1 299.418 2.870 20 30 CFEDMN C#CCCOc1ccc(C[N@@H+]2CCCC[C@H]2C(=O)[O-])cc1 ZINC000833365362 604522409 /nfs/dbraw/zinc/52/24/09/604522409.db2.gz QFPSDYAZAQJQIY-INIZCTEOSA-N 0 1 287.359 2.528 20 30 CFEDMN C=CC[N@H+](Cc1c[nH]c(C(=O)[O-])c1)Cc1ccccc1 ZINC000833376523 604551508 /nfs/dbraw/zinc/55/15/08/604551508.db2.gz ZAHFVOSEHQZTMU-UHFFFAOYSA-N 0 1 270.332 2.901 20 30 CFEDMN C=CC[N@H+](CCc1ccccc1)Cc1c[nH]c(C(=O)[O-])c1 ZINC000833374625 604609422 /nfs/dbraw/zinc/60/94/22/604609422.db2.gz UZZIOUFSFCHMLP-UHFFFAOYSA-N 0 1 284.359 2.944 20 30 CFEDMN C#CC[N@H+](Cc1cccc(C(=O)[O-])c1C#N)C1CCCC1 ZINC000833364328 604611807 /nfs/dbraw/zinc/61/18/07/604611807.db2.gz JRUFNNAWKGPVJN-UHFFFAOYSA-N 0 1 282.343 2.634 20 30 CFEDMN C[N@@H+](Cc1cc(C#N)cs1)C1(C(=O)[O-])CCCCC1 ZINC000833694151 604642841 /nfs/dbraw/zinc/64/28/41/604642841.db2.gz BNCFRJPLQRHFHR-UHFFFAOYSA-N 0 1 278.377 2.839 20 30 CFEDMN C[N@@H+](Cc1ccc(C#N)s1)C1(C(=O)[O-])CCCCC1 ZINC000833695882 604643054 /nfs/dbraw/zinc/64/30/54/604643054.db2.gz AVAMTQHOLPBQFU-UHFFFAOYSA-N 0 1 278.377 2.839 20 30 CFEDMN C=CCOc1ccc(C[N@@H+]2CCC[C@@H]2CC(=O)[O-])cc1 ZINC000833377869 604659645 /nfs/dbraw/zinc/65/96/45/604659645.db2.gz PWDUIQVAFTXZHJ-CQSZACIVSA-N 0 1 275.348 2.691 20 30 CFEDMN CC(C)(C(=O)[O-])[C@H]1CCC[N@@H+](Cc2ccccc2C#N)C1 ZINC000135027400 604938167 /nfs/dbraw/zinc/93/81/67/604938167.db2.gz QTOAJDBRIMXCTC-HNNXBMFYSA-N 0 1 286.375 2.881 20 30 CFEDMN CC(=[NH+]Nc1ccccc1C(=O)[O-])c1ccc(N)cc1 ZINC000812445307 605101190 /nfs/dbraw/zinc/10/11/90/605101190.db2.gz PWBMYGOCSOKUKW-UHFFFAOYSA-N 0 1 269.304 2.803 20 30 CFEDMN C#CC[C@H]([NH2+]Cc1cc(C(=O)[O-])co1)c1ccccc1 ZINC000833361097 605133891 /nfs/dbraw/zinc/13/38/91/605133891.db2.gz WJZOSBAWJWVCJU-HNNXBMFYSA-N 0 1 269.300 2.832 20 30 CFEDMN CC(C)(C#N)CC[N@H+]1CCC[C@H](C(C)(C)C(=O)[O-])C1 ZINC000135028906 605190991 /nfs/dbraw/zinc/19/09/91/605190991.db2.gz XTSQQNVPZYFDOW-LBPRGKRZSA-N 0 1 266.385 2.749 20 30 CFEDMN C#CCCC[N@@H+](Cc1ccccc1)C[C@H](C)C(=O)[O-] ZINC000833362544 605202551 /nfs/dbraw/zinc/20/25/51/605202551.db2.gz XJNZGZLFLIJTHU-AWEZNQCLSA-N 0 1 259.349 2.623 20 30 CFEDMN CC(C)(C#N)CCC[N@@H+](CCc1ccccc1)CC(=O)[O-] ZINC000833407803 605246125 /nfs/dbraw/zinc/24/61/25/605246125.db2.gz PFRRFQTYHXWKSV-UHFFFAOYSA-N 0 1 288.391 2.946 20 30 CFEDMN C=CCN1CCC[C@@H](NC(=O)c2ccccc2Cl)C1 ZINC001009297216 651158837 /nfs/dbraw/zinc/15/88/37/651158837.db2.gz YFVICOYNOHBVBH-GFCCVEGCSA-N 0 1 278.783 2.720 20 30 CFEDMN CC1(C#N)CC[NH+](Cc2cc(C(=O)[O-])ccc2F)CC1 ZINC000833550536 605847970 /nfs/dbraw/zinc/84/79/70/605847970.db2.gz AZXWRRXFPGLCLG-UHFFFAOYSA-N 0 1 276.311 2.650 20 30 CFEDMN C[C@@H](c1ccc(C#N)cc1)[N@H+]1C[C@H](CNC(=O)[O-])C[C@H]1C ZINC000833830497 605892901 /nfs/dbraw/zinc/89/29/01/605892901.db2.gz KAXVDIXMPQBUSS-DYEKYZERSA-N 0 1 287.363 2.597 20 30 CFEDMN C=CCCN1CCC[C@H](NC(=O)c2ccc(F)s2)C1 ZINC001009704933 651164445 /nfs/dbraw/zinc/16/44/45/651164445.db2.gz YKEHJSLVORVSER-NSHDSACASA-N 0 1 282.384 2.658 20 30 CFEDMN C#CCCN1CCCN(C(=O)c2cc(Cl)cs2)CC1 ZINC000982081406 613005597 /nfs/dbraw/zinc/00/55/97/613005597.db2.gz PBCNQQHMHHUCEM-UHFFFAOYSA-N 0 1 296.823 2.573 20 30 CFEDMN C#CCCN1C[C@@H](NC(=O)c2ccc(C)s2)C(C)(C)C1 ZINC000972765325 613032798 /nfs/dbraw/zinc/03/27/98/613032798.db2.gz IECIHSRMUPHNHY-CQSZACIVSA-N 0 1 290.432 2.520 20 30 CFEDMN C#CCCN1C[C@H](NC(=O)c2sccc2C)C(C)(C)C1 ZINC000972757978 613039328 /nfs/dbraw/zinc/03/93/28/613039328.db2.gz HCCMRNXYVRYDGA-ZDUSSCGKSA-N 0 1 290.432 2.520 20 30 CFEDMN C#CCN(C)[C@@H]1CCN(C(=O)C[C@H](C)c2ccccc2C)C1 ZINC000972476621 613081285 /nfs/dbraw/zinc/08/12/85/613081285.db2.gz CIAVYMIAWPZHAU-DLBZAZTESA-N 0 1 298.430 2.655 20 30 CFEDMN C#CCN1CCCCC[C@@H]1CNC(=O)c1ccc(C=C)cc1 ZINC000969039309 613146749 /nfs/dbraw/zinc/14/67/49/613146749.db2.gz HEOGUAYNVKTYHO-GOSISDBHSA-N 0 1 296.414 2.937 20 30 CFEDMN C#CCN1CCCCC[C@@H]1CNC(=O)c1cccc(C)c1C ZINC000969136793 613146933 /nfs/dbraw/zinc/14/69/33/613146933.db2.gz PXYRSXLUDLJFEY-QGZVFWFLSA-N 0 1 298.430 2.911 20 30 CFEDMN C#CCN1CCCCC[C@H]1CNC(=O)[C@H]1CCC(C)(C)C1 ZINC000969018117 613148084 /nfs/dbraw/zinc/14/80/84/613148084.db2.gz WOVGGQHUAWJAMS-HOTGVXAUSA-N 0 1 290.451 2.807 20 30 CFEDMN C#CCN1CCCCC[C@H]1CNC(=O)C1CCCCCC1 ZINC000968777486 613148268 /nfs/dbraw/zinc/14/82/68/613148268.db2.gz GOJHVILITOQEAY-KRWDZBQOSA-N 0 1 290.451 2.951 20 30 CFEDMN C#CCN1CCCCC[C@H]1CNC(=O)c1cc(C)cs1 ZINC000968850269 613148635 /nfs/dbraw/zinc/14/86/35/613148635.db2.gz UGQJGDBTBBIPPT-AWEZNQCLSA-N 0 1 290.432 2.664 20 30 CFEDMN C#CCN1CCCCC[C@H]1CNC(=O)[C@H]1CCCC12CC2 ZINC000968914325 613148953 /nfs/dbraw/zinc/14/89/53/613148953.db2.gz SHOLVODQBCJGBJ-JKSUJKDBSA-N 0 1 288.435 2.561 20 30 CFEDMN C#CCN1CC[C@@H](NC(=O)C2C(C)(C)C2(C)C)C(C)(C)C1 ZINC000940657866 613224101 /nfs/dbraw/zinc/22/41/01/613224101.db2.gz MVQWGLJUWIPGKA-CYBMUJFWSA-N 0 1 290.451 2.519 20 30 CFEDMN C#CCN1CC[C@@H](NC(=O)CC2=CCCCC2)C(C)(C)C1 ZINC000940632818 613224519 /nfs/dbraw/zinc/22/45/19/613224519.db2.gz MGRQZGZQRFPXTD-MRXNPFEDSA-N 0 1 288.435 2.727 20 30 CFEDMN C=C(C)CCN1CC(N(CC)C(=O)[C@@H]2C[C@H]2CC)C1 ZINC000952296952 613245750 /nfs/dbraw/zinc/24/57/50/613245750.db2.gz DYPDZMXJAJRATR-UKRRQHHQSA-N 0 1 264.413 2.531 20 30 CFEDMN C#CCN1CC[C@H](NC(=O)C2(C)CCCCC2)C(C)(C)C1 ZINC000941002858 613256906 /nfs/dbraw/zinc/25/69/06/613256906.db2.gz OHACPEZKIIZDST-HNNXBMFYSA-N 0 1 290.451 2.807 20 30 CFEDMN C=C(C)CCN1CCN(C(=O)CCc2ccccc2)CC1 ZINC000957434962 613258026 /nfs/dbraw/zinc/25/80/26/613258026.db2.gz OVOBNKBLUSSGDI-UHFFFAOYSA-N 0 1 286.419 2.730 20 30 CFEDMN C=C(C)CCN1CCN(C(=O)C[C@@H]2C[C@H]2C2CC2)CC1 ZINC000949378310 613258040 /nfs/dbraw/zinc/25/80/40/613258040.db2.gz VKHKVBMHKBUAHS-HOTGVXAUSA-N 0 1 276.424 2.533 20 30 CFEDMN C=C(C)CCN1CCN(C(=O)Cc2cccc(C)c2)CC1 ZINC000949980008 613258627 /nfs/dbraw/zinc/25/86/27/613258627.db2.gz IHALGGULTWBEBA-UHFFFAOYSA-N 0 1 286.419 2.648 20 30 CFEDMN C=C(C)CCN1CCN(C(=O)[C@@H](C)Cc2ccco2)CC1 ZINC000951695829 613258750 /nfs/dbraw/zinc/25/87/50/613258750.db2.gz GCOHEWWTAYZZMN-HNNXBMFYSA-N 0 1 290.407 2.569 20 30 CFEDMN C=C(C)CCN1CCN(C(=O)[C@H](F)c2ccccc2)CC1 ZINC000950879783 613259888 /nfs/dbraw/zinc/25/98/88/613259888.db2.gz CRTQBPALVJMEHK-MRXNPFEDSA-N 0 1 290.382 2.808 20 30 CFEDMN C#CCN1CC[C@H](NC(=O)[C@@H]2C[C@H]2CC(C)C)C(C)(C)C1 ZINC000941046964 613262846 /nfs/dbraw/zinc/26/28/46/613262846.db2.gz QWOUEOOKWYKCEH-OAGGEKHMSA-N 0 1 290.451 2.519 20 30 CFEDMN C#CCN1CC[C@H](NC(=O)c2cc(C)sc2C)C[C@H]1C ZINC000947515872 613266367 /nfs/dbraw/zinc/26/63/67/613266367.db2.gz QGIYPAYDUMQKMK-RISCZKNCSA-N 0 1 290.432 2.581 20 30 CFEDMN C#CCN1CC[C@H](NC(=O)c2ccc(C)c(C)c2)C(C)(C)C1 ZINC000941198644 613268339 /nfs/dbraw/zinc/26/83/39/613268339.db2.gz ARJJYSUJEPRLTM-KRWDZBQOSA-N 0 1 298.430 2.767 20 30 CFEDMN C#CCN1CC[C@H](NC(=O)c2occc2C(C)C)C[C@@H]1C ZINC000947653575 613278696 /nfs/dbraw/zinc/27/86/96/613278696.db2.gz POFGXSAUSRQYCU-KBPBESRZSA-N 0 1 288.391 2.619 20 30 CFEDMN C=C(C)CN1CC([C@@H](C)NC(=O)c2ccc(Cl)o2)C1 ZINC000969307862 613300382 /nfs/dbraw/zinc/30/03/82/613300382.db2.gz KOIQYNWBWIGMMK-SNVBAGLBSA-N 0 1 282.771 2.559 20 30 CFEDMN C=C(C)CN1CCCN(C(=O)C(F)=C2CCCC2)CC1 ZINC000980966720 613307659 /nfs/dbraw/zinc/30/76/59/613307659.db2.gz OIKIAKURAPVCBN-UHFFFAOYSA-N 0 1 280.387 2.894 20 30 CFEDMN C=C(C)CN1CCCN(C(=O)C2CC3(CCC3)C2)CC1 ZINC000981788117 613307931 /nfs/dbraw/zinc/30/79/31/613307931.db2.gz XMLPEPJSWRRZJB-UHFFFAOYSA-N 0 1 276.424 2.677 20 30 CFEDMN C=C(C)CN1CCCN(C(=O)[C@@H](C)Cc2ccco2)CC1 ZINC000982179194 613309015 /nfs/dbraw/zinc/30/90/15/613309015.db2.gz PAGDINCNJCGHPK-HNNXBMFYSA-N 0 1 290.407 2.569 20 30 CFEDMN C=C(C)CN1CCCN(C(=O)[C@H](F)c2ccccc2)CC1 ZINC000982041345 613310592 /nfs/dbraw/zinc/31/05/92/613310592.db2.gz QRGDIJDESAVSGA-MRXNPFEDSA-N 0 1 290.382 2.808 20 30 CFEDMN C=C(C)CN1CCCN(C(=O)c2ccc3cc[nH]c3c2)CC1 ZINC000982036751 613311902 /nfs/dbraw/zinc/31/19/02/613311902.db2.gz UNAYKKRBAFARGP-UHFFFAOYSA-N 0 1 297.402 2.892 20 30 CFEDMN C=C(C)CN1CC[C@@H](C)[C@@H](NC(=O)c2cc(C)oc2C)C1 ZINC000964931357 613324159 /nfs/dbraw/zinc/32/41/59/613324159.db2.gz DGHFAKJLGOBAAD-WBMJQRKESA-N 0 1 290.407 2.913 20 30 CFEDMN C=C(C)CN1CC[C@@H](C)[C@H](NC(=O)c2ccoc2C)C1 ZINC000964936112 613326195 /nfs/dbraw/zinc/32/61/95/613326195.db2.gz NEXIZSNXBJNNSM-IUODEOHRSA-N 0 1 276.380 2.604 20 30 CFEDMN C=C(C)CN1CC[C@@H](C)[C@H](NC(=O)c2cocc2C)C1 ZINC000967707786 613326540 /nfs/dbraw/zinc/32/65/40/613326540.db2.gz LXLXIGBKQGHDLM-IUODEOHRSA-N 0 1 276.380 2.604 20 30 CFEDMN C=C(C)CN1C[C@H](NC(=O)c2occc2C)C(C)(C)C1 ZINC000972811642 613342375 /nfs/dbraw/zinc/34/23/75/613342375.db2.gz LEYFDFAELOKPST-ZDUSSCGKSA-N 0 1 276.380 2.604 20 30 CFEDMN C=C(Cl)CN[C@@H]1CCN(C(=O)C2CCC3(CC3)CC2)C1 ZINC000969365869 613384301 /nfs/dbraw/zinc/38/43/01/613384301.db2.gz FXODMBVFAPOKOW-CQSZACIVSA-N 0 1 296.842 2.900 20 30 CFEDMN C=C(Cl)CN[C@@H]1CCN(C(=O)C23CCC(CC2)C3)C1 ZINC000969103096 613384415 /nfs/dbraw/zinc/38/44/15/613384415.db2.gz ZUHQORJRCUBVNL-JVWICGRDSA-N 0 1 282.815 2.510 20 30 CFEDMN C=C(Cl)CN[C@@H]1CCN(C(=O)CC2CC(C)(C)C2)C1 ZINC000969692401 613384566 /nfs/dbraw/zinc/38/45/66/613384566.db2.gz JKMAYFWYZRTMFT-CYBMUJFWSA-N 0 1 284.831 2.756 20 30 CFEDMN C=C(Cl)CN[C@@H]1CN(C(=O)C(C2CC2)C2CC2)C[C@H]1C ZINC000939497764 613386309 /nfs/dbraw/zinc/38/63/09/613386309.db2.gz AWTDDJVENHSHKX-QMTHXVAHSA-N 0 1 296.842 2.612 20 30 CFEDMN C=C(Cl)CN[C@@H]1CN(C(=O)c2occc2CC)C[C@H]1C ZINC000939074373 613386507 /nfs/dbraw/zinc/38/65/07/613386507.db2.gz YDPIHWXUULDZNC-ZWNOBZJWSA-N 0 1 296.798 2.645 20 30 CFEDMN C=C1CCC(C(=O)N[C@H]2CN(CC#CC)CC[C@H]2C)CC1 ZINC000968216082 613412888 /nfs/dbraw/zinc/41/28/88/613412888.db2.gz ZMEVBSQYTKNDRF-WBVHZDCISA-N 0 1 288.435 2.583 20 30 CFEDMN C=C[C@@H](C(=O)N1CCN(CC2CC2)CC1)c1ccccc1 ZINC000957744582 613440808 /nfs/dbraw/zinc/44/08/08/613440808.db2.gz WZYIOSMQFKIMJW-QGZVFWFLSA-N 0 1 284.403 2.510 20 30 CFEDMN C=C[C@@H](C(=O)N1CCN(CC2CCC2)CC1)c1ccccc1 ZINC000957743886 613440980 /nfs/dbraw/zinc/44/09/80/613440980.db2.gz BIDXISSJQDWRKQ-GOSISDBHSA-N 0 1 298.430 2.901 20 30 CFEDMN C=CCCN1CCCN(C(=O)c2ncc(Cl)s2)CC1 ZINC000981612814 613499086 /nfs/dbraw/zinc/49/90/86/613499086.db2.gz MBTGKSGRQKLGIF-UHFFFAOYSA-N 0 1 299.827 2.521 20 30 CFEDMN C=C[C@](C)(CC)C(=O)N1CCN(CC2CCC2)CC1 ZINC000950051816 613502232 /nfs/dbraw/zinc/50/22/32/613502232.db2.gz VXCSANBBHPPIMT-MRXNPFEDSA-N 0 1 264.413 2.533 20 30 CFEDMN C=CCCN1CCN(C(=O)C2CCC(F)(F)CC2)CC1 ZINC000950718145 613502325 /nfs/dbraw/zinc/50/23/25/613502325.db2.gz KCAOFCZRUZINSB-UHFFFAOYSA-N 0 1 286.366 2.532 20 30 CFEDMN C=CCCN1CCN(C(=O)[C@@H](c2ccccc2)C2CC2)CC1 ZINC000949284414 613505073 /nfs/dbraw/zinc/50/50/73/613505073.db2.gz WXEJRELJBIKGCD-SFHVURJKSA-N 0 1 298.430 2.901 20 30 CFEDMN C=CCCN1CCN(C(=O)[C@@H]2[C@H](C=C(C)C)C2(C)C)CC1 ZINC000949198243 613506671 /nfs/dbraw/zinc/50/66/71/613506671.db2.gz BKOQUJSLHMTVHQ-HOTGVXAUSA-N 0 1 290.451 2.945 20 30 CFEDMN C=CCCN1CCN(C(=O)[C@@H]2C[C@@H]3CCCC[C@H]23)CC1 ZINC000949439733 613506750 /nfs/dbraw/zinc/50/67/50/613506750.db2.gz XVDPIGNENXNADO-HRCADAONSA-N 0 1 276.424 2.533 20 30 CFEDMN C=CCCN1CCN(C(=O)[C@H]2CC3CCC2CC3)CC1 ZINC000957808945 613507888 /nfs/dbraw/zinc/50/78/88/613507888.db2.gz CGDOQJLBWLJEDX-GPANFISMSA-N 0 1 276.424 2.533 20 30 CFEDMN C=CCCN1CCN(C(=O)c2cccc3[nH]ccc32)CC1 ZINC000950653955 613511018 /nfs/dbraw/zinc/51/10/18/613511018.db2.gz PAQBFIGJBYFZJZ-UHFFFAOYSA-N 0 1 283.375 2.502 20 30 CFEDMN CC#CCN1CC([C@@H](C)NC(=O)[C@@H]2C[C@H]2CC(C)(C)C)C1 ZINC000969707459 613530794 /nfs/dbraw/zinc/53/07/94/613530794.db2.gz VPMASHPQGJRQJL-IJEWVQPXSA-N 0 1 290.451 2.519 20 30 CFEDMN CC#CCN1CC([C@@H](C)NC(=O)c2c(C)cc(C)cc2C)C1 ZINC000970847585 613531255 /nfs/dbraw/zinc/53/12/55/613531255.db2.gz FFKQDEAKSKCBMY-MRXNPFEDSA-N 0 1 298.430 2.685 20 30 CFEDMN CC#CCN1CC([C@H](C)NC(=O)c2ccccc2CCC)C1 ZINC000970115680 613539076 /nfs/dbraw/zinc/53/90/76/613539076.db2.gz FRSYJMJXIKORJE-HNNXBMFYSA-N 0 1 298.430 2.713 20 30 CFEDMN CC#CCN1CCCCC[C@H]1CNC(=O)c1ccsc1 ZINC000968744930 613546587 /nfs/dbraw/zinc/54/65/87/613546587.db2.gz QLKXEJKDMSBEBB-HNNXBMFYSA-N 0 1 290.432 2.746 20 30 CFEDMN CC#CCN1CCCCC[C@H]1CNC(=O)c1coc(C)c1 ZINC000968821863 613546692 /nfs/dbraw/zinc/54/66/92/613546692.db2.gz HSUHTCZBQIEJPZ-INIZCTEOSA-N 0 1 288.391 2.586 20 30 CFEDMN CC#CCN1CC[C@@H](C)[C@H](NC(=O)c2cc(C)cc(C)c2)C1 ZINC000968588596 613575318 /nfs/dbraw/zinc/57/53/18/613575318.db2.gz MMONCHBBCTVKCC-SJLPKXTDSA-N 0 1 298.430 2.767 20 30 CFEDMN CC#CCN1CC[C@@H](C)[C@H](NC(=O)c2cccc(C)c2C)C1 ZINC000968607388 613575682 /nfs/dbraw/zinc/57/56/82/613575682.db2.gz SQFPNBXILVIGOM-CRAIPNDOSA-N 0 1 298.430 2.767 20 30 CFEDMN CC#CCN1CC[C@H](C)[C@@H](NC(=O)C(C)=C2CCCC2)C1 ZINC000965891211 613590617 /nfs/dbraw/zinc/59/06/17/613590617.db2.gz SFYHJGZVFMUFKH-YOEHRIQHSA-N 0 1 288.435 2.727 20 30 CFEDMN CC#CCN1CC[C@H](C)[C@H](NC(=O)CC2CC(C)(C)C2)C1 ZINC000967997849 613592781 /nfs/dbraw/zinc/59/27/81/613592781.db2.gz WQQUBHMACGEXOF-GOEBONIOSA-N 0 1 290.451 2.663 20 30 CFEDMN CC#CCN1CC[C@H](C)[C@H](NC(=O)[C@H]2CC[C@H](C)CC2)C1 ZINC000968566616 613593557 /nfs/dbraw/zinc/59/35/57/613593557.db2.gz VJNOYJBNYRIZSY-LUKYLMHMSA-N 0 1 290.451 2.663 20 30 CFEDMN CC#CCN1C[C@H](NC(=O)C(C)(C)C2CCC2)C(C)(C)C1 ZINC000974873574 613620015 /nfs/dbraw/zinc/62/00/15/613620015.db2.gz VHTJIMKAVMOPRQ-HNNXBMFYSA-N 0 1 290.451 2.663 20 30 CFEDMN CC#CCN1C[C@H](NC(=O)[C@@H]2CCC(C)(C)C2)C(C)(C)C1 ZINC000975013323 613621243 /nfs/dbraw/zinc/62/12/43/613621243.db2.gz ALMFJYFZHAAMHP-CABCVRRESA-N 0 1 290.451 2.663 20 30 CFEDMN C=CCN1CC([C@@H](C)NC(=O)[C@@H]2CCCC(C)(C)C2)C1 ZINC000970947298 613661976 /nfs/dbraw/zinc/66/19/76/613661976.db2.gz IPFHDGKHIREACP-ZIAGYGMSSA-N 0 1 278.440 2.825 20 30 CFEDMN C=CCN1CC([C@@H](C)NC(=O)C2CCC(C)(C)CC2)C1 ZINC000970947490 613662286 /nfs/dbraw/zinc/66/22/86/613662286.db2.gz KYJAMZYBDGHOKW-CYBMUJFWSA-N 0 1 278.440 2.825 20 30 CFEDMN C=CCN1CC([C@@H](C)NC(=O)c2c(F)ccc(C)c2F)C1 ZINC000970373439 613664083 /nfs/dbraw/zinc/66/40/83/613664083.db2.gz AXHZOJIPXLBRCK-LLVKDONJSA-N 0 1 294.345 2.509 20 30 CFEDMN C=CCN1CC([C@@H](C)NC(=O)c2ccc(Cl)cc2)C1 ZINC000970779449 613665563 /nfs/dbraw/zinc/66/55/63/613665563.db2.gz NMJMFRVGKYUFEM-LLVKDONJSA-N 0 1 278.783 2.576 20 30 CFEDMN C=CCN1CC([C@@H](C)NC(=O)c2scnc2C(C)C)C1 ZINC000970544573 613668238 /nfs/dbraw/zinc/66/82/38/613668238.db2.gz OJNJZKUPULCBQN-LLVKDONJSA-N 0 1 293.436 2.503 20 30 CFEDMN C=CCN1CC([C@H](C)NC(=O)[C@@H]2CCC(C)=C(C)C2)C1 ZINC000969740155 613668617 /nfs/dbraw/zinc/66/86/17/613668617.db2.gz MJXHDOBLQUTOKL-LSDHHAIUSA-N 0 1 276.424 2.745 20 30 CFEDMN C=CCN1CC([C@H](C)NC(=O)c2cc(C)c(F)c(C)c2)C1 ZINC000970897909 613670732 /nfs/dbraw/zinc/67/07/32/613670732.db2.gz IDHFDYLIXDODPK-ZDUSSCGKSA-N 0 1 290.382 2.679 20 30 CFEDMN C=CCN1CC([C@H](C)NC(=O)c2ccc(C)nc2C2CC2)C1 ZINC000970226536 613671604 /nfs/dbraw/zinc/67/16/04/613671604.db2.gz SITXYEMPZISCCE-ZDUSSCGKSA-N 0 1 299.418 2.504 20 30 CFEDMN C=CCN1CC([C@H](C)NC(=O)c2coc3ccccc23)C1 ZINC000970970654 613673796 /nfs/dbraw/zinc/67/37/96/613673796.db2.gz BOAYKVCURZNAPT-LBPRGKRZSA-N 0 1 284.359 2.669 20 30 CFEDMN C=CCN1CCCN(C(=O)CC2CC(C)(C)C2)CC1 ZINC000981811362 613688527 /nfs/dbraw/zinc/68/85/27/613688527.db2.gz LAMYGPYMWBTSJC-UHFFFAOYSA-N 0 1 264.413 2.533 20 30 CFEDMN C=CCN1CCCN(C(=O)CC(C)(C)C2CC2)CC1 ZINC000981108198 613688631 /nfs/dbraw/zinc/68/86/31/613688631.db2.gz JUMRTCKRVUWBJE-UHFFFAOYSA-N 0 1 264.413 2.533 20 30 CFEDMN C=CCN1CCCN(C(=O)C[C@@H]2C[C@H]2c2ccccc2)CC1 ZINC000981175525 613690377 /nfs/dbraw/zinc/69/03/77/613690377.db2.gz ALLRWZRZCAKEQP-ROUUACIJSA-N 0 1 298.430 2.901 20 30 CFEDMN C=CCN1CCCN(C(=O)[C@@H]2C[C@H]2CC(C)(C)C)CC1 ZINC000981196609 613692411 /nfs/dbraw/zinc/69/24/11/613692411.db2.gz NSHADVJJRDMVBW-LSDHHAIUSA-N 0 1 278.440 2.779 20 30 CFEDMN C=CCN1CCCN(C(=O)[C@]2(C)CCC[C@H]2C)CC1 ZINC000981898104 613695683 /nfs/dbraw/zinc/69/56/83/613695683.db2.gz HFLCDIBXXKLERJ-GDBMZVCRSA-N 0 1 264.413 2.533 20 30 CFEDMN C=CCN1CCCN(C(=O)c2cc(C)sc2C)CC1 ZINC000981570376 613696544 /nfs/dbraw/zinc/69/65/44/613696544.db2.gz OTZCFFNUKOSZRE-UHFFFAOYSA-N 0 1 278.421 2.699 20 30 CFEDMN C=CCN1CC[C@@H](C)[C@@H](NC(=O)CC2CCCCC2)C1 ZINC000964904242 613728323 /nfs/dbraw/zinc/72/83/23/613728323.db2.gz MKJOHXNZYTZYHI-ZBFHGGJFSA-N 0 1 278.440 2.969 20 30 CFEDMN C=CCN1CC[C@@H](C)[C@H](NC(=O)C(C)=C2CCCC2)C1 ZINC000965887017 613732329 /nfs/dbraw/zinc/73/23/29/613732329.db2.gz PSTNHWNBHMFEKB-CZUORRHYSA-N 0 1 276.424 2.890 20 30 CFEDMN C=CCN1CC[C@H](C)[C@@H](NC(=O)C2CCC=CCC2)C1 ZINC000968661412 613766943 /nfs/dbraw/zinc/76/69/43/613766943.db2.gz ZNLMWRHZEHJXLH-HOCLYGCPSA-N 0 1 276.424 2.745 20 30 CFEDMN C=CCN1CC[C@H](C)[C@H](NC(=O)C2(C3CC3)CCC2)C1 ZINC000967467453 613771702 /nfs/dbraw/zinc/77/17/02/613771702.db2.gz OKLCRNXSAVAGCG-DZGCQCFKSA-N 0 1 276.424 2.579 20 30 CFEDMN C=CCN1CC[C@H](C)[C@H](NC(=O)c2cc(C)c(C)o2)C1 ZINC000965909684 613773419 /nfs/dbraw/zinc/77/34/19/613773419.db2.gz HEQVORLBAQXJCQ-SMDDNHRTSA-N 0 1 276.380 2.523 20 30 CFEDMN C=CCN1CC[C@H](C)[C@H](NC(=O)c2cccc(C)c2C)C1 ZINC000968606806 613774028 /nfs/dbraw/zinc/77/40/28/613774028.db2.gz JTPFPNGMYZLVES-WMLDXEAASA-N 0 1 286.419 2.930 20 30 CFEDMN C=CCN1CC[C@H](C)[C@H](NC(=O)c2oc(C)cc2C)C1 ZINC000965846277 613775851 /nfs/dbraw/zinc/77/58/51/613775851.db2.gz YCMQLINIEFJPCJ-SMDDNHRTSA-N 0 1 276.380 2.523 20 30 CFEDMN C=CCN1C[C@@H](NC(=O)[C@@H]2C[C@H]2C(C)(C)C)C(C)(C)C1 ZINC000974819786 613807548 /nfs/dbraw/zinc/80/75/48/613807548.db2.gz OFXMZHUIFDTMJZ-MGPQQGTHSA-N 0 1 278.440 2.681 20 30 CFEDMN C=CCN1C[C@@H](NC(=O)[C@H]2CCCC3(CC3)C2)C(C)(C)C1 ZINC000974593980 613808463 /nfs/dbraw/zinc/80/84/63/613808463.db2.gz PZDJOVPYMSJUGF-LSDHHAIUSA-N 0 1 290.451 2.969 20 30 CFEDMN C=CCN1C[C@@H](NC(=O)[C@H]2CCC(C)(C)C2)C(C)(C)C1 ZINC000975033351 613808621 /nfs/dbraw/zinc/80/86/21/613808621.db2.gz DJAWJOSAWHHBRC-UONOGXRCSA-N 0 1 278.440 2.825 20 30 CFEDMN C=CCN1C[C@H](NC(=O)[C@@H](C)C2CCCC2)C(C)(C)C1 ZINC000977454417 613827643 /nfs/dbraw/zinc/82/76/43/613827643.db2.gz XOWQRJDBJUWMMA-ZFWWWQNUSA-N 0 1 278.440 2.825 20 30 CFEDMN C=CCN1C[C@H](NC(=O)[C@H](C)c2ccc(C)o2)C(C)(C)C1 ZINC000977274525 613827859 /nfs/dbraw/zinc/82/78/59/613827859.db2.gz SSUROYCAPVQITM-HIFRSBDPSA-N 0 1 290.407 2.704 20 30 CFEDMN C=CCN1C[C@H](NC(=O)c2ccc(C)cc2C)C(C)(C)C1 ZINC000977550891 613828902 /nfs/dbraw/zinc/82/89/02/613828902.db2.gz BTQCJEYVXPFXQP-INIZCTEOSA-N 0 1 286.419 2.930 20 30 CFEDMN C=CCN1C[C@H](NC(=O)c2cccc3c2CCC3)C(C)(C)C1 ZINC000977644551 613829303 /nfs/dbraw/zinc/82/93/03/613829303.db2.gz ZQZLWQNIENVTGG-KRWDZBQOSA-N 0 1 298.430 2.802 20 30 CFEDMN C=CCN1C[C@H](NC(=O)c2oc(C)cc2C)C(C)(C)C1 ZINC000973012731 613829897 /nfs/dbraw/zinc/82/98/97/613829897.db2.gz PAFAXTZPZWEZEE-ZDUSSCGKSA-N 0 1 276.380 2.523 20 30 CFEDMN CC(C)C(=O)N[C@H]1CN(Cc2ccc(C#N)cc2)CC1(C)C ZINC000972820453 613959256 /nfs/dbraw/zinc/95/92/56/613959256.db2.gz CPEBWXZFMHORNH-INIZCTEOSA-N 0 1 299.418 2.541 20 30 CFEDMN C#C[C@@H]([NH2+]Cc1cc(Br)ccc1[O-])C(C)C ZINC000300900781 618029761 /nfs/dbraw/zinc/02/97/61/618029761.db2.gz KXKXFZHQFPENMP-GFCCVEGCSA-N 0 1 282.181 2.902 20 30 CFEDMN C#CC[N@H+]1CC[C@H]2[C@H](CCCN2C(=O)c2ccccc2C)C1 ZINC001021508160 618034928 /nfs/dbraw/zinc/03/49/28/618034928.db2.gz GNSUJSLNBKOIGD-AEFFLSMTSA-N 0 1 296.414 2.555 20 30 CFEDMN C=CC[C@@H]1CCN1Cc1cc(C(=O)OC)ccc1OC ZINC000934462977 618041916 /nfs/dbraw/zinc/04/19/16/618041916.db2.gz SLVVTRRMHOIRGN-CQSZACIVSA-N 0 1 275.348 2.632 20 30 CFEDMN C[C@H](CCC(=O)C(C#N)C(=O)NC1CC1)c1ccccc1 ZINC000160173855 617606326 /nfs/dbraw/zinc/60/63/26/617606326.db2.gz UUZGSJAYFNFCJH-IUODEOHRSA-N 0 1 284.359 2.558 20 30 CFEDMN C=CC[C@@H]1CCN1C(=O)c1cc(-c2ccccc2)[nH]n1 ZINC000890566764 617658278 /nfs/dbraw/zinc/65/82/78/617658278.db2.gz MTICAPHPWBUCGX-CYBMUJFWSA-N 0 1 267.332 2.867 20 30 CFEDMN C=CC[N@H+]1CC[C@]2(NC(=O)c3cc(CC)ccn3)CCC[C@H]12 ZINC000990867259 620741841 /nfs/dbraw/zinc/74/18/41/620741841.db2.gz AFIYBUHCIGYSKF-FUHWJXTLSA-N 0 1 299.418 2.557 20 30 CFEDMN C#CCN1CCC(C(=O)N2Cc3ccccc3[C@@H]2CC)CC1 ZINC000890610791 617700488 /nfs/dbraw/zinc/70/04/88/617700488.db2.gz NYPSFZZRAMXTPX-SFHVURJKSA-N 0 1 296.414 2.825 20 30 CFEDMN CN1CCc2cc(C=NOC/C=C\Cl)ccc21 ZINC000811672422 617719120 /nfs/dbraw/zinc/71/91/20/617719120.db2.gz YMBJRDMNZKJCIZ-PYGLNSRESA-N 0 1 250.729 2.782 20 30 CFEDMN CCN(Cc1ncc(Br)cc1O)C[C@@H](C)C#N ZINC000891716825 617725267 /nfs/dbraw/zinc/72/52/67/617725267.db2.gz XKURMZVXOLGOCR-VIFPVBQESA-N 0 1 298.184 2.531 20 30 CFEDMN CCN(Cc1csc(C#N)c1)C[C@@H]1CCCO1 ZINC000891783495 617750632 /nfs/dbraw/zinc/75/06/32/617750632.db2.gz HNWMMXAGNSHDGF-LBPRGKRZSA-N 0 1 250.367 2.621 20 30 CFEDMN C=C(Cl)CN[C@H](c1ccc(OC)nc1)C1CC1 ZINC000860204276 617783830 /nfs/dbraw/zinc/78/38/30/617783830.db2.gz ALTJNDNALLQTGT-ZDUSSCGKSA-N 0 1 252.745 2.883 20 30 CFEDMN C=C1CCN(Cc2ncc(Br)cc2O)CC1 ZINC000891943065 617841607 /nfs/dbraw/zinc/84/16/07/617841607.db2.gz MSDFBWGVHJSYEJ-UHFFFAOYSA-N 0 1 283.169 2.702 20 30 CFEDMN Cc1nn(C(C)C)c(C)c1C=NNc1ccccn1 ZINC000901140216 620756564 /nfs/dbraw/zinc/75/65/64/620756564.db2.gz ZPEYHAQXBRFIOG-UHFFFAOYSA-N 0 1 257.341 2.922 20 30 CFEDMN Cc1cc(N=NCc2c(Cl)n[nH]c2C2CC2)nc(C)n1 ZINC000901170710 620761317 /nfs/dbraw/zinc/76/13/17/620761317.db2.gz ZSQAMUJBOHTVOF-UHFFFAOYSA-N 0 1 290.758 2.793 20 30 CFEDMN C=CCCCN(CC)C(=O)[C@H]1CCN1C(C)(C)C ZINC000890809275 617907995 /nfs/dbraw/zinc/90/79/95/617907995.db2.gz QYCPPOHBCGDYHK-CYBMUJFWSA-N 0 1 252.402 2.674 20 30 CFEDMN C=CCCCN(CC)C(=O)c1cccc(-c2nnc[nH]2)c1 ZINC000890812084 617909684 /nfs/dbraw/zinc/90/96/84/617909684.db2.gz RLRRDINNAPFLOK-UHFFFAOYSA-N 0 1 284.363 2.900 20 30 CFEDMN C=CCCCN(CC)C(=O)c1cccc(F)c1O ZINC000890816621 617913027 /nfs/dbraw/zinc/91/30/27/617913027.db2.gz ZEWWJUCNFAWTMO-UHFFFAOYSA-N 0 1 251.301 2.960 20 30 CFEDMN C=C(Cl)CN1CC[C@@H](CCNC(=O)OC(C)(C)C)C1 ZINC000932693663 617941961 /nfs/dbraw/zinc/94/19/61/617941961.db2.gz ABVWIRUNMAPZGL-GFCCVEGCSA-N 0 1 288.819 2.976 20 30 CFEDMN N#CC(C(=O)C1(c2ccccc2)CC1)c1ccccn1 ZINC000069952335 617973118 /nfs/dbraw/zinc/97/31/18/617973118.db2.gz UKESALLKJADMLI-AWEZNQCLSA-N 0 1 262.312 2.990 20 30 CFEDMN C#C[C@@H](NC(=O)c1n[nH]c2ccc(Cl)cc21)C(C)(C)C ZINC000807882196 617974467 /nfs/dbraw/zinc/97/44/67/617974467.db2.gz XHMYCGNSANLXQS-GFCCVEGCSA-N 0 1 289.766 2.994 20 30 CFEDMN C[C@@H]1C(N=Nc2ccnn2C)CCCN1Cc1ccccc1 ZINC000901221004 620766565 /nfs/dbraw/zinc/76/65/65/620766565.db2.gz NRGMITCFRYDSCX-CQSZACIVSA-N 0 1 297.406 2.873 20 30 CFEDMN COc1cccc(NN=Cc2c(C)nn(C(C)C)c2C)n1 ZINC000901216887 620766766 /nfs/dbraw/zinc/76/67/66/620766766.db2.gz SIVZDWCJACGSEA-UHFFFAOYSA-N 0 1 287.367 2.930 20 30 CFEDMN Cc1nc([C@@H](C)OC(=O)C[C@H](CC#N)c2ccccc2)n[nH]1 ZINC000840540165 618027781 /nfs/dbraw/zinc/02/77/81/618027781.db2.gz QIESHFKGTLKGSQ-RISCZKNCSA-N 0 1 298.346 2.805 20 30 CFEDMN C#CC[N@H+]1CC[C@@H]2[C@@H](CCCN2C(=O)CC2CCCC2)C1 ZINC001021509169 618035750 /nfs/dbraw/zinc/03/57/50/618035750.db2.gz PIDHWUWMADKMMQ-DLBZAZTESA-N 0 1 288.435 2.513 20 30 CFEDMN C=CC[C@@H]1CC[N@H+]1C[C@@H](C)C(=O)c1ccc([O-])cc1 ZINC000934459082 618039743 /nfs/dbraw/zinc/03/97/43/618039743.db2.gz ADTZATINOYUZPU-TZMCWYRMSA-N 0 1 259.349 2.861 20 30 CFEDMN C=CC[C@@H]1CC[N@@H+]1C[C@@H](C)C(=O)c1ccc([O-])cc1 ZINC000934459082 618039751 /nfs/dbraw/zinc/03/97/51/618039751.db2.gz ADTZATINOYUZPU-TZMCWYRMSA-N 0 1 259.349 2.861 20 30 CFEDMN C=CC[C@H]1CC[N@@H+]1CCOc1ccccc1C(C)=O ZINC000934470401 618045642 /nfs/dbraw/zinc/04/56/42/618045642.db2.gz DECKURBKYSRSMU-AWEZNQCLSA-N 0 1 259.349 2.918 20 30 CFEDMN C=CC[C@H]1CCN1CCOc1ccccc1C(C)=O ZINC000934470401 618045644 /nfs/dbraw/zinc/04/56/44/618045644.db2.gz DECKURBKYSRSMU-AWEZNQCLSA-N 0 1 259.349 2.918 20 30 CFEDMN C=CC[C@H]1CCN1C[C@@H](O)c1ccc(F)cc1F ZINC000934471598 618047187 /nfs/dbraw/zinc/04/71/87/618047187.db2.gz VLRIJWQDIBOZKP-SMDDNHRTSA-N 0 1 253.292 2.649 20 30 CFEDMN CCCCCCC[C@@H](C)CNC(=O)c1cnn[nH]1 ZINC000121880916 618095720 /nfs/dbraw/zinc/09/57/20/618095720.db2.gz LZMLFEYECIAZBA-LLVKDONJSA-N 0 1 252.362 2.531 20 30 CFEDMN CCNN=C(C)c1cc(Br)cc(F)c1O ZINC000901281319 620776248 /nfs/dbraw/zinc/77/62/48/620776248.db2.gz NKXNGBQJLPLHBJ-UHFFFAOYSA-N 0 1 275.121 2.627 20 30 CFEDMN C=C(Br)CN[C@H](CO)[C@@H](C)c1ccccc1 ZINC000309355314 618104029 /nfs/dbraw/zinc/10/40/29/618104029.db2.gz NVBAWRZZGMFKJK-WCQYABFASA-N 0 1 284.197 2.649 20 30 CFEDMN Cn1cc(C=[NH+][N-]c2nc3cccnc3s2)c(C2CC2)n1 ZINC000901265735 620778059 /nfs/dbraw/zinc/77/80/59/620778059.db2.gz DQINQJVXWQBBAJ-UHFFFAOYSA-N 0 1 298.375 2.748 20 30 CFEDMN N#Cc1csc(CN2CCCC[C@@H]([C@@H]3CCOC3)C2)n1 ZINC000934834689 618144906 /nfs/dbraw/zinc/14/49/06/618144906.db2.gz RJNLVTMJKUIHOL-CHWSQXEVSA-N 0 1 291.420 2.653 20 30 CFEDMN Oc1c(Cl)cc(Cl)cc1/C=N\[C@@H]1CCOC1 ZINC000255264925 618152460 /nfs/dbraw/zinc/15/24/60/618152460.db2.gz LZGSRAQVXJXVNH-YZJXFOOCSA-N 0 1 260.120 2.907 20 30 CFEDMN C#CCOc1ccccc1CN(C)C[C@H]1CCCCO1 ZINC000077210763 618156453 /nfs/dbraw/zinc/15/64/53/618156453.db2.gz GNESAHLARXHZOG-MRXNPFEDSA-N 0 1 273.376 2.700 20 30 CFEDMN O=c1[nH]c(N=NC2CCCCC2)nc2ccccc21 ZINC000039370605 618160616 /nfs/dbraw/zinc/16/06/16/618160616.db2.gz DZXVMYFXVLEPRN-UHFFFAOYSA-N 0 1 256.309 2.655 20 30 CFEDMN Cc1csc(C[C@H]2CCN(Cc3ccc(C#N)o3)C2)n1 ZINC000933127350 618161642 /nfs/dbraw/zinc/16/16/42/618161642.db2.gz XJQPOPQXSVWXDU-GFCCVEGCSA-N 0 1 287.388 2.981 20 30 CFEDMN C=C1CCC(C(=O)N2[C@H](C)CN(C)[C@H](C)[C@@H]2C)CC1 ZINC000892352718 618177975 /nfs/dbraw/zinc/17/79/75/618177975.db2.gz HPIFWZOKDOBAQG-MCIONIFRSA-N 0 1 264.413 2.672 20 30 CFEDMN N#Cc1ccc(O)c(NC(=O)CCC(=O)c2ccccc2)c1 ZINC000176825049 618207082 /nfs/dbraw/zinc/20/70/82/618207082.db2.gz ONJSFGHKKBXHGZ-UHFFFAOYSA-N 0 1 294.310 2.865 20 30 CFEDMN N#Cc1ccc(O)c(NC(=O)CSCc2ccccn2)c1 ZINC000176823367 618207267 /nfs/dbraw/zinc/20/72/67/618207267.db2.gz AEHHHSYZUPFZJL-UHFFFAOYSA-N 0 1 299.355 2.531 20 30 CFEDMN Cc1ccc(NN=Cc2scnc2C2CC2)nn1 ZINC000782232081 618210744 /nfs/dbraw/zinc/21/07/44/618210744.db2.gz VJKFVIOYMUVNSZ-UHFFFAOYSA-N 0 1 259.338 2.565 20 30 CFEDMN COc1ccc(C(=O)/C=C/c2cnn3ccccc23)c(O)c1 ZINC000176954205 618246704 /nfs/dbraw/zinc/24/67/04/618246704.db2.gz CZMBLLSVTBUAFI-VMPITWQZSA-N 0 1 294.310 2.945 20 30 CFEDMN COC(=O)c1ccc(/C=C/C(=O)c2ccccc2O)o1 ZINC000176953566 618247036 /nfs/dbraw/zinc/24/70/36/618247036.db2.gz DIZYLQWWEFVSSA-SOFGYWHQSA-N 0 1 272.256 2.668 20 30 CFEDMN O=C(/C=C/c1cnn2ccccc12)c1ccc(O)cc1O ZINC000176954788 618247114 /nfs/dbraw/zinc/24/71/14/618247114.db2.gz GTGPAVSSWYTYOA-QPJJXVBHSA-N 0 1 280.283 2.642 20 30 CFEDMN COCCN(Cc1n[nH]c(C)c1C)Cc1ccc(C#N)cc1 ZINC000893958577 618253394 /nfs/dbraw/zinc/25/33/94/618253394.db2.gz PDWCMKHEZJRXQA-UHFFFAOYSA-N 0 1 298.390 2.547 20 30 CFEDMN N#CC[C@@H]1CC[C@H](Nc2nc(Cl)nc3[nH]cnc32)C1 ZINC000894044980 618287386 /nfs/dbraw/zinc/28/73/86/618287386.db2.gz XAQLOQMKSULPTP-YUMQZZPRSA-N 0 1 276.731 2.501 20 30 CFEDMN C=C(C)C[N@H+]1CCCC[C@H]1CNC(=O)c1scnc1C ZINC001024337457 618295854 /nfs/dbraw/zinc/29/58/54/618295854.db2.gz OQWDGNZBYVUAPU-ZDUSSCGKSA-N 0 1 293.436 2.612 20 30 CFEDMN C=C(C)CN1CCCC[C@H]1CNC(=O)c1scnc1C ZINC001024337457 618295857 /nfs/dbraw/zinc/29/58/57/618295857.db2.gz OQWDGNZBYVUAPU-ZDUSSCGKSA-N 0 1 293.436 2.612 20 30 CFEDMN CC#CCN1CCCC[C@H]1CNC(=O)[C@@H]1CCCC12CC2 ZINC001024504926 618337306 /nfs/dbraw/zinc/33/73/06/618337306.db2.gz SZDUITWUSWMVMY-HOTGVXAUSA-N 0 1 288.435 2.561 20 30 CFEDMN C=CCN1CCCC[C@H]1CNC(=O)c1ccnc(C2CC2)c1 ZINC001024535981 618350542 /nfs/dbraw/zinc/35/05/42/618350542.db2.gz ZOPDMIXUENKVRX-INIZCTEOSA-N 0 1 299.418 2.729 20 30 CFEDMN C=CCN1CCCC[C@H]1CNC(=O)[C@@H]1C[C@H]1C(C)(C)C ZINC001024549164 618362466 /nfs/dbraw/zinc/36/24/66/618362466.db2.gz QTVCUQCUNBGUGF-RRFJBIMHSA-N 0 1 278.440 2.825 20 30 CFEDMN Cc1ccncc1C=NNc1cc(C#N)cc(Cl)n1 ZINC000794525543 618372417 /nfs/dbraw/zinc/37/24/17/618372417.db2.gz AEVQYLKVONHNHU-UHFFFAOYSA-N 0 1 271.711 2.756 20 30 CFEDMN CC#CCN1CCCC[C@@H]1CNC(=O)[C@H]1CCCC1(C)C ZINC001024610786 618414760 /nfs/dbraw/zinc/41/47/60/618414760.db2.gz YPDIQPSGUCBJNO-HZPDHXFCSA-N 0 1 290.451 2.807 20 30 CFEDMN C=CCN1CCCC[C@@H]1CNC(=O)c1cc[nH]c1C(C)C ZINC001024615885 618422085 /nfs/dbraw/zinc/42/20/85/618422085.db2.gz KLZYNLYWQCVFOX-CQSZACIVSA-N 0 1 289.423 2.908 20 30 CFEDMN C=CCCONC(=O)[C@@H]1CCCc2sccc21 ZINC000856031908 618422555 /nfs/dbraw/zinc/42/25/55/618422555.db2.gz CCNIYMTVQFPHCS-LLVKDONJSA-N 0 1 251.351 2.792 20 30 CFEDMN C#CCN1CCCC[C@@H]1CNC(=O)c1ccc(CCC)cc1 ZINC001024626331 618425502 /nfs/dbraw/zinc/42/55/02/618425502.db2.gz YZFMENCCMNOKBH-GOSISDBHSA-N 0 1 298.430 2.857 20 30 CFEDMN C=CCN1CCCC[C@H]1CNC(=O)[C@@H]1CCC(C)(C)C1 ZINC001024633066 618426881 /nfs/dbraw/zinc/42/68/81/618426881.db2.gz FBXLQOOTAFJNJI-CABCVRRESA-N 0 1 278.440 2.969 20 30 CFEDMN CC#CCN1CCCC[C@@H]1CNC(=O)[C@H]1CCC(C)(C)C1 ZINC001024641903 618430493 /nfs/dbraw/zinc/43/04/93/618430493.db2.gz OGQDFDWUNGXWQS-JKSUJKDBSA-N 0 1 290.451 2.807 20 30 CFEDMN C=CCN1CCCC[C@@H]1CNC(=O)c1ccc(C)cc1F ZINC001024673299 618438194 /nfs/dbraw/zinc/43/81/94/618438194.db2.gz ADMUAFWSAQJKEG-CQSZACIVSA-N 0 1 290.382 2.904 20 30 CFEDMN C=CCN1CCCC[C@H]1CNC(=O)c1csc(C)c1 ZINC001024710776 618450699 /nfs/dbraw/zinc/45/06/99/618450699.db2.gz YXTQLMFKXRHRLM-AWEZNQCLSA-N 0 1 278.421 2.827 20 30 CFEDMN N#C[C@H]1CCCN(CCCCC2CCOCC2)C1 ZINC000310675297 618472944 /nfs/dbraw/zinc/47/29/44/618472944.db2.gz MQMBXRCKWSINKQ-OAHLLOKOSA-N 0 1 250.386 2.819 20 30 CFEDMN Brc1ccc(NN=Cc2ccccn2)nc1 ZINC000727266547 618473585 /nfs/dbraw/zinc/47/35/85/618473585.db2.gz YKAMWGRXGYYLOQ-UHFFFAOYSA-N 0 1 277.125 2.685 20 30 CFEDMN C(=N[N-]c1cccc[nH+]1)c1nc(-c2ccccc2)no1 ZINC000726417337 618473563 /nfs/dbraw/zinc/47/35/63/618473563.db2.gz FDBXHTIOGQVURJ-UHFFFAOYSA-N 0 1 265.276 2.578 20 30 CFEDMN C=CC(C)(C)NC(=O)NCc1nc2ccc(C)cc2[nH]1 ZINC000893360081 618478713 /nfs/dbraw/zinc/47/87/13/618478713.db2.gz GQDXOCKUSKTLBH-UHFFFAOYSA-N 0 1 272.352 2.635 20 30 CFEDMN CC1=NO[C@@H](CNCc2cccc(OCCCC#N)c2)C1 ZINC000895311771 618526945 /nfs/dbraw/zinc/52/69/45/618526945.db2.gz RBCFXQKNTGCTEL-MRXNPFEDSA-N 0 1 287.363 2.624 20 30 CFEDMN N#CC[C@H]1CCCN(Cc2cccc3c2OCC3)C1 ZINC000895314152 618528700 /nfs/dbraw/zinc/52/87/00/618528700.db2.gz RFRUYGOXLBJVLM-CYBMUJFWSA-N 0 1 256.349 2.747 20 30 CFEDMN C#CC1(O)CCN(Cc2cc(C)ccc2OC(F)F)CC1 ZINC000895383514 618560516 /nfs/dbraw/zinc/56/05/16/618560516.db2.gz WZXLRCABXSJPAE-UHFFFAOYSA-N 0 1 295.329 2.557 20 30 CFEDMN C#CC1(O)CCN(Cc2ccc(SC(F)F)cc2)CC1 ZINC000895383708 618561369 /nfs/dbraw/zinc/56/13/69/618561369.db2.gz AUCDDJKITBXGQS-UHFFFAOYSA-N 0 1 297.370 2.961 20 30 CFEDMN C#CC1(O)CCN(Cc2c(Cl)cccc2CC)CC1 ZINC000895385008 618561650 /nfs/dbraw/zinc/56/16/50/618561650.db2.gz XRSKLXOFEPQHCZ-UHFFFAOYSA-N 0 1 277.795 2.863 20 30 CFEDMN C#CC1(O)CCN(Cc2ccccc2CC(F)(F)F)CC1 ZINC000895385409 618561763 /nfs/dbraw/zinc/56/17/63/618561763.db2.gz AIRMZFVJXXVLMS-UHFFFAOYSA-N 0 1 297.320 2.752 20 30 CFEDMN C#CC1(O)CC[NH+](Cc2ccc3ccccc3c2[O-])CC1 ZINC000895385496 618562075 /nfs/dbraw/zinc/56/20/75/618562075.db2.gz FELPFOGEFDNSMA-UHFFFAOYSA-N 0 1 281.355 2.506 20 30 CFEDMN Cc1nc(C=C2SC(=NC3CCCC3)NC2=O)[nH]c1C ZINC000901431294 620818598 /nfs/dbraw/zinc/81/85/98/620818598.db2.gz RTMJUAUJDWRROY-YRNVUSSQSA-N 0 1 290.392 2.529 20 30 CFEDMN CCCC(C#N)(CCC)NC(=O)C(F)(F)C(F)F ZINC000178123311 618625192 /nfs/dbraw/zinc/62/51/92/618625192.db2.gz DBYQAGBWZIIBJD-UHFFFAOYSA-N 0 1 268.254 2.866 20 30 CFEDMN N#Cc1ccc(O)c(NC(=O)/C=C\c2ccccc2)c1 ZINC000255909007 618659730 /nfs/dbraw/zinc/65/97/30/618659730.db2.gz JMANDRSTPXRXBB-CLFYSBASSA-N 0 1 264.284 2.916 20 30 CFEDMN C#CCCCCC(=O)C(C#N)C(=O)Nc1ccc(OC)cc1 ZINC000180739506 618671492 /nfs/dbraw/zinc/67/14/92/618671492.db2.gz CBTKBAHFTVMLJO-HNNXBMFYSA-N 0 1 298.342 2.536 20 30 CFEDMN C#CCCN1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1CCCC[C@H]1C ZINC001017860991 618674667 /nfs/dbraw/zinc/67/46/67/618674667.db2.gz MIJJKOPHMBXSNP-WCXIOVBPSA-N 0 1 288.435 2.511 20 30 CFEDMN C=CCCCCNCc1cnn(-c2ccccc2)n1 ZINC000311940782 618771259 /nfs/dbraw/zinc/77/12/59/618771259.db2.gz HWUBFFWGZCMCKM-UHFFFAOYSA-N 0 1 256.353 2.713 20 30 CFEDMN C[C@@H]1CCc2n[nH]c(C(=O)OC3(CC#N)CCC3)c2C1 ZINC000892982364 618790366 /nfs/dbraw/zinc/79/03/66/618790366.db2.gz ARXUKEXXAIECQY-SNVBAGLBSA-N 0 1 273.336 2.528 20 30 CFEDMN CC1(C)CO[C@@H](CC(=O)Nc2nc3ccc(C#N)cc3[nH]2)C1 ZINC000893152062 618847905 /nfs/dbraw/zinc/84/79/05/618847905.db2.gz UQWQNBLGSVLCPQ-NSHDSACASA-N 0 1 298.346 2.578 20 30 CFEDMN C=CCC[N@H+]1CCC[C@H](NC(=O)c2occ3c2CCC3)C1 ZINC001008060129 618910820 /nfs/dbraw/zinc/91/08/20/618910820.db2.gz YOTCCWQQQWBDBH-AWEZNQCLSA-N 0 1 288.391 2.539 20 30 CFEDMN C=C(C)C[N@H+]1CCC[C@@H](NC(=O)c2occ3c2CCC3)C1 ZINC001008056472 618910911 /nfs/dbraw/zinc/91/09/11/618910911.db2.gz JHJIYCAUTWHJIX-CQSZACIVSA-N 0 1 288.391 2.539 20 30 CFEDMN C=C(C)CN1CCC[C@@H](NC(=O)c2occ3c2CCC3)C1 ZINC001008056472 618910913 /nfs/dbraw/zinc/91/09/13/618910913.db2.gz JHJIYCAUTWHJIX-CQSZACIVSA-N 0 1 288.391 2.539 20 30 CFEDMN C=C(CSc1nc2ccc(OC)cc2[nH]1)C(=O)OCC ZINC000070380861 625305006 /nfs/dbraw/zinc/30/50/06/625305006.db2.gz DUHMXZBBACCPGZ-UHFFFAOYSA-N 0 1 292.360 2.783 20 30 CFEDMN Cc1nn(-c2ccncc2)cc1C=NOCCC(F)(F)F ZINC000777458660 618959381 /nfs/dbraw/zinc/95/93/81/618959381.db2.gz CZLZHDHCYSDSNU-UHFFFAOYSA-N 0 1 298.268 2.879 20 30 CFEDMN CC[C@H](CC#N)N[C@H](C)[C@H]1COc2ccccc2C1 ZINC000893606834 619090671 /nfs/dbraw/zinc/09/06/71/619090671.db2.gz RXZFBEDWWNZFRT-BPLDGKMQSA-N 0 1 258.365 2.908 20 30 CFEDMN Cc1nc([C@@H](C)Nc2cc(C)cc(F)c2C#N)n[nH]1 ZINC000893846793 619228313 /nfs/dbraw/zinc/22/83/13/619228313.db2.gz QTIZKCGFIZUXGP-MRVPVSSYSA-N 0 1 259.288 2.605 20 30 CFEDMN Cn1c2ccccc2nc1C(C#N)C(=O)C1(C)CCOCC1 ZINC000726859019 619266104 /nfs/dbraw/zinc/26/61/04/619266104.db2.gz VWXHRKOGVFHSGN-GFCCVEGCSA-N 0 1 297.358 2.566 20 30 CFEDMN CO[C@H]1CCN(Cc2csc(C#N)c2)[C@H](C)C1 ZINC000894255496 619287003 /nfs/dbraw/zinc/28/70/03/619287003.db2.gz ZWXSEEMNKCECLP-PWSUYJOCSA-N 0 1 250.367 2.619 20 30 CFEDMN C=CCN(CCc1ccco1)Cc1[nH]nc(C)c1C ZINC000894423564 619380566 /nfs/dbraw/zinc/38/05/66/619380566.db2.gz WSWPTKOPBNAIKC-UHFFFAOYSA-N 0 1 259.353 2.850 20 30 CFEDMN C=CC[C@@H]1CCCN(c2nc(Cl)nc3[nH]cnc32)C1 ZINC000894522256 619410223 /nfs/dbraw/zinc/41/02/23/619410223.db2.gz FUYSWZHJKGBLDO-SECBINFHSA-N 0 1 277.759 2.799 20 30 CFEDMN C=CCN(CCOC)Cc1cccc2c1NCCC2 ZINC000894547644 619417342 /nfs/dbraw/zinc/41/73/42/619417342.db2.gz IJRJTRMGZXKSRJ-UHFFFAOYSA-N 0 1 260.381 2.679 20 30 CFEDMN Cc1nc([C@H](C)NCc2ccc(C(C)(C)C#N)cc2)n[nH]1 ZINC000894776406 619460527 /nfs/dbraw/zinc/46/05/27/619460527.db2.gz DLDPGXCMFSISEY-NSHDSACASA-N 0 1 283.379 2.765 20 30 CFEDMN C#Cc1cccc(CNCc2c(C)noc2CC)c1 ZINC000894775198 619461235 /nfs/dbraw/zinc/46/12/35/619461235.db2.gz GZRJMADYPJPMFU-UHFFFAOYSA-N 0 1 254.333 2.817 20 30 CFEDMN Cc1nc([C@H](C)NCc2ccc(C3(C#N)CC3)cc2)n[nH]1 ZINC000894775951 619461551 /nfs/dbraw/zinc/46/15/51/619461551.db2.gz BCPIZQKHWJJUDJ-NSHDSACASA-N 0 1 281.363 2.519 20 30 CFEDMN C[C@H](CC(C)(C)C#N)NCc1cnc(Br)cn1 ZINC000895644003 619575439 /nfs/dbraw/zinc/57/54/39/619575439.db2.gz ZFHDIZAVXCRNTF-SECBINFHSA-N 0 1 297.200 2.657 20 30 CFEDMN CC1(C#N)CCC(NCc2nc(C(F)F)no2)CC1 ZINC000895726307 619592363 /nfs/dbraw/zinc/59/23/63/619592363.db2.gz WCGQRHFJRVSYNK-UHFFFAOYSA-N 0 1 270.283 2.569 20 30 CFEDMN CN1CC[C@@H]1CNc1c(C#N)cnc2c(Cl)cccc21 ZINC000895768581 619602628 /nfs/dbraw/zinc/60/26/28/619602628.db2.gz FUDAEDPZGXOPOU-LLVKDONJSA-N 0 1 286.766 2.876 20 30 CFEDMN N#Cc1cnc(Cl)c(CNC[C@H]2CC3(CCC3)CO2)c1 ZINC000895790805 619607799 /nfs/dbraw/zinc/60/77/99/619607799.db2.gz MKYJPWYNQSDRTN-CYBMUJFWSA-N 0 1 291.782 2.655 20 30 CFEDMN C#CCN1CCC(Nc2nc3cc(C)ccc3o2)CC1 ZINC000895808180 619612393 /nfs/dbraw/zinc/61/23/93/619612393.db2.gz CGWOVSMUOKHWPM-UHFFFAOYSA-N 0 1 269.348 2.646 20 30 CFEDMN C#CC1([NH2+]Cc2ncc(Br)cc2[O-])CCCC1 ZINC000896026244 619656592 /nfs/dbraw/zinc/65/65/92/619656592.db2.gz JTPNHMLGXPGZHS-UHFFFAOYSA-N 0 1 295.180 2.585 20 30 CFEDMN C[C@@H](CC(=O)Nc1ccccc1)NCC1(C#N)CCC1 ZINC000841895673 619661445 /nfs/dbraw/zinc/66/14/45/619661445.db2.gz ASTMFAHVLTXWCM-ZDUSSCGKSA-N 0 1 271.364 2.687 20 30 CFEDMN Cn1ccc([C@@H]2CCCN(Cc3csc(C#N)c3)C2)n1 ZINC000896487528 619744231 /nfs/dbraw/zinc/74/42/31/619744231.db2.gz HYGIODCZRCFSDS-CYBMUJFWSA-N 0 1 286.404 2.733 20 30 CFEDMN N#C[C@H]1CCCN(C[C@@H]2CCN(c3ccccc3)C2)C1 ZINC000896502254 619751357 /nfs/dbraw/zinc/75/13/57/619751357.db2.gz WFBYMAOLNFHZFB-CVEARBPZSA-N 0 1 269.392 2.748 20 30 CFEDMN N#Cc1ccc(O)c(NC(=O)C[C@@H]2CCC3(CCC3)O2)c1 ZINC000896821864 619832509 /nfs/dbraw/zinc/83/25/09/619832509.db2.gz WPUMMANTYMFIGE-LBPRGKRZSA-N 0 1 286.331 2.694 20 30 CFEDMN Cc1ccc(CNCc2cn(C)nc2C2CC2)cc1C#N ZINC000896880683 619855908 /nfs/dbraw/zinc/85/59/08/619855908.db2.gz KUJIURJNBAKIEX-UHFFFAOYSA-N 0 1 280.375 2.767 20 30 CFEDMN C[C@@H](CCC#N)CN1CCn2c(cnc2C(F)(F)F)C1 ZINC000896931724 619895717 /nfs/dbraw/zinc/89/57/17/619895717.db2.gz NWWQCOOTNVXYBD-JTQLQIEISA-N 0 1 286.301 2.657 20 30 CFEDMN C#CCN1CCC(NC(=O)c2cccc3ccsc32)CC1 ZINC000928654345 619936924 /nfs/dbraw/zinc/93/69/24/619936924.db2.gz XSVCOAQKGGRNHQ-UHFFFAOYSA-N 0 1 298.411 2.729 20 30 CFEDMN CC#CC[N@@H+](C)Cc1cccc(OCCCC#N)c1 ZINC000897166027 619942560 /nfs/dbraw/zinc/94/25/60/619942560.db2.gz HLGVJCHTYBLKKK-UHFFFAOYSA-N 0 1 256.349 2.824 20 30 CFEDMN CC#CCN(C)Cc1cccc(OCCCC#N)c1 ZINC000897166027 619942561 /nfs/dbraw/zinc/94/25/61/619942561.db2.gz HLGVJCHTYBLKKK-UHFFFAOYSA-N 0 1 256.349 2.824 20 30 CFEDMN C#CCN1CCC(NC(=O)[C@H](C)c2ccc(CC)cc2)CC1 ZINC000928657839 619944500 /nfs/dbraw/zinc/94/45/00/619944500.db2.gz AZDCHRACMRSSDX-OAHLLOKOSA-N 0 1 298.430 2.566 20 30 CFEDMN C#CC[C@@H](NC(=O)[C@H]1CCN1C(C)(C)C)c1ccccc1 ZINC000897232342 619954311 /nfs/dbraw/zinc/95/43/11/619954311.db2.gz NTQFTZNCCTXYOD-HZPDHXFCSA-N 0 1 284.403 2.740 20 30 CFEDMN C[C@H]1CC(=NC(=O)c2cc3c(cncc3Cl)s2)NO1 ZINC000897252870 619959952 /nfs/dbraw/zinc/95/99/52/619959952.db2.gz PCZMGJRTSVPCKH-LURJTMIESA-N 0 1 295.751 2.802 20 30 CFEDMN C=C(Cl)CN(C)C1CCN(C(=O)C2=CCCC2)CC1 ZINC000985373309 619965112 /nfs/dbraw/zinc/96/51/12/619965112.db2.gz LYCCYGOKQVXSQW-UHFFFAOYSA-N 0 1 282.815 2.772 20 30 CFEDMN C#Cc1ccc(C(=O)N2CCC(c3cc(C)[nH]n3)CC2)cc1 ZINC000897300430 619973610 /nfs/dbraw/zinc/97/36/10/619973610.db2.gz KCWAMKCDLRAZLO-UHFFFAOYSA-N 0 1 293.370 2.719 20 30 CFEDMN C=CC(C)(C)C(=O)N1CCC(N(C)CC(=C)Cl)CC1 ZINC000985573363 620003628 /nfs/dbraw/zinc/00/36/28/620003628.db2.gz GMMYXWHJBRZBFG-UHFFFAOYSA-N 0 1 284.831 2.874 20 30 CFEDMN C=C(Cl)CN[C@H]1CCN(C(=O)Cc2ccsc2)[C@@H]1C ZINC000985915371 620052117 /nfs/dbraw/zinc/05/21/17/620052117.db2.gz UCMKQLLVWIMQJL-YPMHNXCESA-N 0 1 298.839 2.622 20 30 CFEDMN C=C(Cl)CN[C@@H]1CCN(C(=O)c2cccc(F)c2)[C@H]1C ZINC000985926059 620053080 /nfs/dbraw/zinc/05/30/80/620053080.db2.gz PCPWXXFUZXRMAS-SMDDNHRTSA-N 0 1 296.773 2.771 20 30 CFEDMN C=C(Cl)CN[C@H]1CCN(C(=O)CCc2ccco2)[C@@H]1C ZINC000985956689 620054466 /nfs/dbraw/zinc/05/44/66/620054466.db2.gz NNLIXHNELRIEMY-OCCSQVGLSA-N 0 1 296.798 2.544 20 30 CFEDMN C=CCCCC[C@H](C)NCc1noc2c1COCC2 ZINC000897365937 620063834 /nfs/dbraw/zinc/06/38/34/620063834.db2.gz IDOSQQCMCAFRMT-LBPRGKRZSA-N 0 1 264.369 2.972 20 30 CFEDMN C=C(Cl)CN[C@H]1CCN(C(=O)c2cc(C)c(C)o2)[C@H]1C ZINC000986153847 620073160 /nfs/dbraw/zinc/07/31/60/620073160.db2.gz QGPIZWPCLSXMCK-AAEUAGOBSA-N 0 1 296.798 2.842 20 30 CFEDMN C=CCC[C@H](CO)NCc1cc([N+](=O)[O-])ccc1Cl ZINC000320989970 620078947 /nfs/dbraw/zinc/07/89/47/620078947.db2.gz IXXKBAKWRYNUSC-LLVKDONJSA-N 0 1 284.743 2.665 20 30 CFEDMN C=C(Br)CN1CCCC[C@@H]1C[C@H](C)O ZINC000163117485 625395134 /nfs/dbraw/zinc/39/51/34/625395134.db2.gz GMKBWLLXSIAOJC-WDEREUQCSA-N 0 1 262.191 2.520 20 30 CFEDMN Brc1cnn(N=C2CCCC23CCOCC3)c1 ZINC000799885261 620126163 /nfs/dbraw/zinc/12/61/63/620126163.db2.gz SKMWJSYHMRWFIC-UHFFFAOYSA-N 0 1 298.184 2.830 20 30 CFEDMN C=C(Cl)CN[C@H]1C[C@H](C)N(C(=O)C2CCCC2)C1 ZINC000987733582 620151952 /nfs/dbraw/zinc/15/19/52/620151952.db2.gz ZGEIQMYNLCZFMQ-AAEUAGOBSA-N 0 1 270.804 2.508 20 30 CFEDMN C=C(Cl)CN[C@H]1C[C@@H](C)N(C(=O)c2ccc(F)cc2)C1 ZINC000987826916 620156127 /nfs/dbraw/zinc/15/61/27/620156127.db2.gz PDPHUFIWBIBJRE-RISCZKNCSA-N 0 1 296.773 2.771 20 30 CFEDMN C=C(Cl)CN[C@@H]1C[C@@H](C)N(C(=O)c2ccccc2)C1 ZINC000987856135 620156697 /nfs/dbraw/zinc/15/66/97/620156697.db2.gz LWLVDTLKZLIJAW-TZMCWYRMSA-N 0 1 278.783 2.632 20 30 CFEDMN C=C(Cl)CN[C@@H]1C[C@H](C)N(C(=O)c2ccccc2C)C1 ZINC000987868694 620158044 /nfs/dbraw/zinc/15/80/44/620158044.db2.gz WBPYBZYEDJBSCO-UONOGXRCSA-N 0 1 292.810 2.940 20 30 CFEDMN C=CCCn1cc(CNCC[C@@H]2CCC(C)(C)CO2)nn1 ZINC000897474732 620181252 /nfs/dbraw/zinc/18/12/52/620181252.db2.gz ZQNOMOYEAVZOSW-HNNXBMFYSA-N 0 1 292.427 2.539 20 30 CFEDMN N#Cc1cnc(Cl)c(CNC[C@@H]2CC[C@H](C3CC3)O2)c1 ZINC000897505649 620195734 /nfs/dbraw/zinc/19/57/34/620195734.db2.gz NIBQTNFLZBSLMC-UONOGXRCSA-N 0 1 291.782 2.654 20 30 CFEDMN C=C(Cl)CN[C@H]1C[C@H](C)N(C(=O)CCc2ccoc2)C1 ZINC000988570657 620202420 /nfs/dbraw/zinc/20/24/20/620202420.db2.gz YQQAIKZAWZUXGJ-JSGCOSHPSA-N 0 1 296.798 2.544 20 30 CFEDMN C=C(Cl)CN[C@@H]1C[C@@H](C)N(C(=O)C(C)=C2CCC2)C1 ZINC000988817028 620225372 /nfs/dbraw/zinc/22/53/72/620225372.db2.gz DUXHRNWYENUKNE-BXUZGUMPSA-N 0 1 282.815 2.818 20 30 CFEDMN C=C(Cl)CN[C@H]1C[C@H](C)N(C(=O)Cc2ccccc2)C1 ZINC000989056975 620230380 /nfs/dbraw/zinc/23/03/80/620230380.db2.gz UPROLHBNNOKZHM-ZFWWWQNUSA-N 0 1 292.810 2.561 20 30 CFEDMN C=C(Cl)CN[C@@H]1C[C@@H](C)N(C(=O)CC2(C)CC2)C1 ZINC000989211781 620237356 /nfs/dbraw/zinc/23/73/56/620237356.db2.gz YBCUNMTVRUJHCR-VXGBXAGGSA-N 0 1 270.804 2.508 20 30 CFEDMN CC(C)[C@@H]1C[C@@H](NCc2nc(C#N)cs2)CS1 ZINC000897628878 620263335 /nfs/dbraw/zinc/26/33/35/620263335.db2.gz NZTUUCFJPVNOFF-KOLCDFICSA-N 0 1 267.423 2.634 20 30 CFEDMN C=CCN(CCO[C@H]1CCOC1)Cc1cccs1 ZINC000929140111 620264895 /nfs/dbraw/zinc/26/48/95/620264895.db2.gz FGIJAJMUEFSLEV-ZDUSSCGKSA-N 0 1 267.394 2.542 20 30 CFEDMN N#CC1(c2ccc(CNCc3cnn(CCF)c3)cc2)CC1 ZINC000897732071 620280953 /nfs/dbraw/zinc/28/09/53/620280953.db2.gz PARHYGOBJIXORO-UHFFFAOYSA-N 0 1 298.365 2.698 20 30 CFEDMN C=CCC[N@@H+]1CCCN(C(=O)c2cc(C)c(CC)o2)CC1 ZINC000989469765 620374690 /nfs/dbraw/zinc/37/46/90/620374690.db2.gz SMRARWULXWERTN-UHFFFAOYSA-N 0 1 290.407 2.874 20 30 CFEDMN C=C(C)CN1CCCN(C(=O)c2oc(CC)cc2C)CC1 ZINC000989490725 620377053 /nfs/dbraw/zinc/37/70/53/620377053.db2.gz JKRZPOMOHFFTPJ-UHFFFAOYSA-N 0 1 290.407 2.874 20 30 CFEDMN C#CCCN1CCCN(C(=O)c2ccc(C(C)C)cc2)CC1 ZINC000989552069 620381202 /nfs/dbraw/zinc/38/12/02/620381202.db2.gz JWRHWCUSZJZFPL-UHFFFAOYSA-N 0 1 298.430 2.981 20 30 CFEDMN C=CCN1CCCN(C(=O)Cc2ccc(C)c(C)c2)CC1 ZINC000989621902 620383506 /nfs/dbraw/zinc/38/35/06/620383506.db2.gz KYLSUEPHNGFDDO-UHFFFAOYSA-N 0 1 286.419 2.566 20 30 CFEDMN C=CCN1CCCN(C(=O)c2ccc(C3CC3)cc2)CC1 ZINC000989715038 620387481 /nfs/dbraw/zinc/38/74/81/620387481.db2.gz SZHXDKIAZKIVAO-UHFFFAOYSA-N 0 1 284.403 2.898 20 30 CFEDMN C=CCCC(C)(C)NC(=O)NCc1cc(N(C)C)ccn1 ZINC000924670541 620437116 /nfs/dbraw/zinc/43/71/16/620437116.db2.gz BXXBTTNBQLKYAO-UHFFFAOYSA-N 0 1 290.411 2.692 20 30 CFEDMN CC(C)(C)N1CC[C@@H]1C(=O)NC(C)(C)c1cccc(C#N)c1 ZINC000898587425 620480345 /nfs/dbraw/zinc/48/03/45/620480345.db2.gz NUBSOHUYLOHICI-OAHLLOKOSA-N 0 1 299.418 2.782 20 30 CFEDMN C=C1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1CCN1C(C)(C)C ZINC000898980257 620511410 /nfs/dbraw/zinc/51/14/10/620511410.db2.gz CLEUJMNACHUMJS-MJBXVCDLSA-N 0 1 262.397 2.569 20 30 CFEDMN C#CCCc1cc(=O)n(CCCc2ccccc2)[nH]1 ZINC000899350963 620550208 /nfs/dbraw/zinc/55/02/08/620550208.db2.gz VKYVUXFBKBAICR-UHFFFAOYSA-N 0 1 254.333 2.621 20 30 CFEDMN CC(C)N(Cc1cn(Cc2cccc(C#N)c2)nn1)C(C)C ZINC000899727962 620594797 /nfs/dbraw/zinc/59/47/97/620594797.db2.gz OOGJMWNUJIWHNS-UHFFFAOYSA-N 0 1 297.406 2.817 20 30 CFEDMN Cc1ccc(C#N)cc1-c1nc(C2(N)CCCC2)no1 ZINC000900005382 620621573 /nfs/dbraw/zinc/62/15/73/620621573.db2.gz HJXOGPHLZDUATA-UHFFFAOYSA-N 0 1 268.320 2.645 20 30 CFEDMN N#CCC[C@H](C#N)CNC[C@@H]1CCC[C@@H](C(F)(F)F)O1 ZINC000901566435 620859128 /nfs/dbraw/zinc/85/91/28/620859128.db2.gz SVLIEOMUNLXTQA-WOPDTQHZSA-N 0 1 289.301 2.520 20 30 CFEDMN C=CC[N@@H+](CC(=O)[O-])Cc1ccc(OCCC)cc1C ZINC000901586362 620862731 /nfs/dbraw/zinc/86/27/31/620862731.db2.gz OIKIFCBXNWWYAW-UHFFFAOYSA-N 0 1 277.364 2.856 20 30 CFEDMN C=CC[N@@H+](CC(=O)[O-])Cc1ccc(OCCC)c(OC)c1 ZINC000901586958 620863236 /nfs/dbraw/zinc/86/32/36/620863236.db2.gz QDYOODOSCACHLT-UHFFFAOYSA-N 0 1 293.363 2.557 20 30 CFEDMN C=CCC[C@H]([NH2+]Cc1ncc(C(C)C)s1)C(=O)[O-] ZINC000901693485 620896826 /nfs/dbraw/zinc/89/68/26/620896826.db2.gz VWKLINOTSYYXTQ-JTQLQIEISA-N 0 1 268.382 2.776 20 30 CFEDMN C=C[C@H]1CCCC[N@@H+]1Cc1ccc(/C=C\C(=O)[O-])o1 ZINC000902545340 621123705 /nfs/dbraw/zinc/12/37/05/621123705.db2.gz VNXHQAKBKGDSTN-LAUAKBEESA-N 0 1 261.321 2.918 20 30 CFEDMN C=CCCCN(CC)CN1C(=O)C(C)(C)[C@@H]1[C@@H]1CCCO1 ZINC000902669994 621148119 /nfs/dbraw/zinc/14/81/19/621148119.db2.gz WLGHBHXAMDNDSF-GJZGRUSLSA-N 0 1 294.439 2.648 20 30 CFEDMN C[C@H](O)c1ccc(CN[C@@H](C)c2cc(C#N)ccn2)cc1 ZINC000902763156 621162726 /nfs/dbraw/zinc/16/27/26/621162726.db2.gz UQZVFWVKGZOHGP-STQMWFEESA-N 0 1 281.359 2.857 20 30 CFEDMN CC(C)CCOCCN[C@@H](C)c1cc(C#N)ccn1 ZINC000902780714 621172294 /nfs/dbraw/zinc/17/22/94/621172294.db2.gz PIDYTYPSIOLGII-ZDUSSCGKSA-N 0 1 261.369 2.667 20 30 CFEDMN C#C[C@H](N[C@H](CC)c1cccc(C#N)c1)[C@@H]1CCCO1 ZINC000902958831 621214196 /nfs/dbraw/zinc/21/41/96/621214196.db2.gz VEJPSVILNDNVLT-IKGGRYGDSA-N 0 1 268.360 2.780 20 30 CFEDMN C#C[C@H](N[C@@H](CC)c1cccc(C#N)c1)[C@H]1CCCO1 ZINC000902958834 621214251 /nfs/dbraw/zinc/21/42/51/621214251.db2.gz VEJPSVILNDNVLT-YESZJQIVSA-N 0 1 268.360 2.780 20 30 CFEDMN N#CC1(CCCN2CCC[C@@H](F)C2)CCOCC1 ZINC000902994659 621220593 /nfs/dbraw/zinc/22/05/93/621220593.db2.gz GVZUXGYHWWFIMY-CYBMUJFWSA-N 0 1 254.349 2.521 20 30 CFEDMN COc1cccc([C@@H](C)NCC2(C#N)CCC2)c1O ZINC000903035610 621230927 /nfs/dbraw/zinc/23/09/27/621230927.db2.gz RYWCXTMCOBSPII-LLVKDONJSA-N 0 1 260.337 2.745 20 30 CFEDMN C[C@H](C#N)OCCN[C@@H](C)c1ccc(F)cc1F ZINC000801940416 621239579 /nfs/dbraw/zinc/23/95/79/621239579.db2.gz XHTLPGPBRGJPCD-ZJUUUORDSA-N 0 1 254.280 2.544 20 30 CFEDMN CC[C@@H](NCC1(C#N)CC1)c1ccc2c(c1)CCO2 ZINC000903101574 621253458 /nfs/dbraw/zinc/25/34/58/621253458.db2.gz JDKUIRZPMDBMNT-CQSZACIVSA-N 0 1 256.349 2.966 20 30 CFEDMN Cc1ccc(O)c([C@@H](C)NCc2nc(C#N)cs2)c1 ZINC000903264288 621304590 /nfs/dbraw/zinc/30/45/90/621304590.db2.gz SBLFSWCAHGCHMT-SNVBAGLBSA-N 0 1 273.361 2.880 20 30 CFEDMN Cc1cc(C#N)cc(C)c1C[N@@H+]1C[C@H](C(=O)[O-])CC[C@@H]1C ZINC000903407356 621362275 /nfs/dbraw/zinc/36/22/75/621362275.db2.gz GRLAIKYUIDFCKW-DZGCQCFKSA-N 0 1 286.375 2.860 20 30 CFEDMN CC[N@@H+](Cc1cc(Cl)cc(C#N)c1)[C@@H](C)C(=O)[O-] ZINC000903409215 621363796 /nfs/dbraw/zinc/36/37/96/621363796.db2.gz RCQLJUDZUDVVEZ-VIFPVBQESA-N 0 1 266.728 2.507 20 30 CFEDMN Cc1cc(C#N)cc(C)c1C[N@H+]1[C@H](C)CC[C@@H]1C(=O)[O-] ZINC000903408762 621364136 /nfs/dbraw/zinc/36/41/36/621364136.db2.gz LJTNTSRITHDBGE-IUODEOHRSA-N 0 1 272.348 2.613 20 30 CFEDMN Cc1cc(C#N)cc(C)c1C[N@@H+]1CC[C@@H](C)[C@@H](C(=O)[O-])C1 ZINC000903409541 621364379 /nfs/dbraw/zinc/36/43/79/621364379.db2.gz ZGBQATBLXYJJOK-BZNIZROVSA-N 0 1 286.375 2.718 20 30 CFEDMN C[C@H]1CC[N@@H+](Cc2cc(Cl)cc(C#N)c2)C[C@@H]1C(=O)[O-] ZINC000903409629 621364804 /nfs/dbraw/zinc/36/48/04/621364804.db2.gz WSWYZCJWOJJBPM-HZMBPMFUSA-N 0 1 292.766 2.754 20 30 CFEDMN CC[C@H](NCc1cnc2n1CCOC2)c1ccc(C#N)cc1 ZINC000903421845 621378460 /nfs/dbraw/zinc/37/84/60/621378460.db2.gz WOXPGTJVOTYPOX-INIZCTEOSA-N 0 1 296.374 2.526 20 30 CFEDMN CC[C@@H](C(=O)[O-])[N@@H+](C)CCCCC1(C#N)CCC1 ZINC000903702391 621421893 /nfs/dbraw/zinc/42/18/93/621421893.db2.gz AVWFIGLZDFCJAZ-LBPRGKRZSA-N 0 1 252.358 2.646 20 30 CFEDMN C=CC(C)(C)CCCNC(=O)[C@@H]1C[C@H]1c1cnc[nH]1 ZINC000832710567 625489632 /nfs/dbraw/zinc/48/96/32/625489632.db2.gz KLUHSGNUIPLIFO-VXGBXAGGSA-N 0 1 261.369 2.622 20 30 CFEDMN C=C(C)C[N@H+](C)Cc1ccc(C(=O)[O-])c2cccnc12 ZINC000903897134 621467035 /nfs/dbraw/zinc/46/70/35/621467035.db2.gz GZRIXCQSIBOLLV-UHFFFAOYSA-N 0 1 270.332 2.941 20 30 CFEDMN C#CC[C@@H]1CCC[N@H+]([C@@H](CCc2ccccc2)C(=O)[O-])C1 ZINC000903906319 621469450 /nfs/dbraw/zinc/46/94/50/621469450.db2.gz HJMMAXSIDSFAOW-SJORKVTESA-N 0 1 285.387 2.808 20 30 CFEDMN C=C(CC)C[N@H+]1CCOc2cc(C(=O)[O-])ccc2C1 ZINC000903958879 621479636 /nfs/dbraw/zinc/47/96/36/621479636.db2.gz PZZAMDQBSXFDJE-UHFFFAOYSA-N 0 1 261.321 2.545 20 30 CFEDMN C#Cc1cncc(-c2noc(CN(C)CC(C)(C)C)n2)c1 ZINC000904091477 621524157 /nfs/dbraw/zinc/52/41/57/621524157.db2.gz KDEDJFQWXUZTTA-UHFFFAOYSA-N 0 1 284.363 2.591 20 30 CFEDMN O=C([C@@H]1C[C@H]1c1cnc[nH]1)N(O)CCCCc1ccccc1 ZINC000904195543 621547339 /nfs/dbraw/zinc/54/73/39/621547339.db2.gz HFGOOXBTSZBPKB-HUUCEWRRSA-N 0 1 299.374 2.754 20 30 CFEDMN CCCCN(O)C(=O)[C@H](NC(C)C)c1ccc(OC)cc1 ZINC000904214725 621554796 /nfs/dbraw/zinc/55/47/96/621554796.db2.gz KPCNJUQRXFRBGX-OAHLLOKOSA-N 0 1 294.395 2.752 20 30 CFEDMN COc1cccc(C#N)c1-c1ccc([C@@H]2COCCN2)cc1 ZINC000904912253 621671662 /nfs/dbraw/zinc/67/16/62/621671662.db2.gz WTDRSUMDQZGVCW-INIZCTEOSA-N 0 1 294.354 2.895 20 30 CFEDMN CN(Cc1cn(CC2(C#N)CCCCC2)nn1)C(C)(C)C ZINC000905058335 621694916 /nfs/dbraw/zinc/69/49/16/621694916.db2.gz HSJIKAYHPAFLRK-UHFFFAOYSA-N 0 1 289.427 2.982 20 30 CFEDMN C=C(Br)CNC[C@H](O)c1cccc(C)c1 ZINC000905063568 621696366 /nfs/dbraw/zinc/69/63/66/621696366.db2.gz DCVGJOCIRYMWOP-LBPRGKRZSA-N 0 1 270.170 2.527 20 30 CFEDMN C[C@](O)(CN[C@@H](CCC#N)c1ccccc1)C(F)F ZINC000905179216 621711829 /nfs/dbraw/zinc/71/18/29/621711829.db2.gz IHSYBVORWXTCAO-JSGCOSHPSA-N 0 1 268.307 2.637 20 30 CFEDMN Cc1cc(C#N)cc(C)c1Cc1nc(C2(N)CCCC2)no1 ZINC000905305571 621746568 /nfs/dbraw/zinc/74/65/68/621746568.db2.gz OODKTFLSZIYTGF-UHFFFAOYSA-N 0 1 296.374 2.877 20 30 CFEDMN N#Cc1c2ccccc2[nH]c1-c1nc([C@H]2CCCN2)no1 ZINC000905305260 621746679 /nfs/dbraw/zinc/74/66/79/621746679.db2.gz QVIFMLRXEOZUBD-GFCCVEGCSA-N 0 1 279.303 2.514 20 30 CFEDMN CC(C)(C#N)C[C@H](O)CN[C@H]1c2ccccc2CC[C@@H]1F ZINC000905453485 621775808 /nfs/dbraw/zinc/77/58/08/621775808.db2.gz QABPKNKDVYVPOU-BPUTZDHNSA-N 0 1 290.382 2.902 20 30 CFEDMN CCC(=NNC1=N[C@@H]2CCCC[C@H]2N1)c1cccc(C#N)c1 ZINC000905456099 621775979 /nfs/dbraw/zinc/77/59/79/621775979.db2.gz GDRBEILANMREGB-HZPDHXFCSA-N 0 1 295.390 2.532 20 30 CFEDMN CCOCc1nc(C)cc(NN=Cc2scnc2C)n1 ZINC000905504504 621782973 /nfs/dbraw/zinc/78/29/73/621782973.db2.gz JTWRWSWAXDHPEV-UHFFFAOYSA-N 0 1 291.380 2.532 20 30 CFEDMN Cc1nn(C)c(C=N[N-]c2cccc(C)[nH+]2)c1Cl ZINC000905488464 621784631 /nfs/dbraw/zinc/78/46/31/621784631.db2.gz NUIUXLQTLGPBRY-UHFFFAOYSA-N 0 1 263.732 2.531 20 30 CFEDMN CC(C)N1CCC[C@H]1C(=O)Nc1ccc(C#N)c(F)c1 ZINC000905668334 621814139 /nfs/dbraw/zinc/81/41/39/621814139.db2.gz IFKZVZXPXNRNEQ-AWEZNQCLSA-N 0 1 275.327 2.509 20 30 CFEDMN C[C@]1(CNC[C@H](C#N)CCC#N)OCCc2ccccc21 ZINC000905801932 621866773 /nfs/dbraw/zinc/86/67/73/621866773.db2.gz NLZMITRSQMZRIJ-WMLDXEAASA-N 0 1 283.375 2.508 20 30 CFEDMN Cc1cc(C#N)ccc1Cn1cc(CN(C)C(C)(C)C)nn1 ZINC000905809312 621869965 /nfs/dbraw/zinc/86/99/65/621869965.db2.gz WWSMBKPLQXBOAO-UHFFFAOYSA-N 0 1 297.406 2.737 20 30 CFEDMN CC(C)N1CCC[C@@H]1C(=O)O[C@H]1CC[C@@](C)(C#N)CC1 ZINC000905921408 621901112 /nfs/dbraw/zinc/90/11/12/621901112.db2.gz JEMDQDQUHUHLJK-FMKPAKJESA-N 0 1 278.396 2.875 20 30 CFEDMN COc1ccc(-c2cnc([C@@H]3CCCCN3)nc2)cc1C#N ZINC000906170879 621943147 /nfs/dbraw/zinc/94/31/47/621943147.db2.gz LTIUZDXXQXUCOK-HNNXBMFYSA-N 0 1 294.358 2.838 20 30 CFEDMN CCc1nc[nH]c1C(=O)N(CCC#N)c1ccc(C)cc1 ZINC000906440572 621986604 /nfs/dbraw/zinc/98/66/04/621986604.db2.gz GHKGOSZUGMKZHE-UHFFFAOYSA-N 0 1 282.347 2.841 20 30 CFEDMN CN(C)c1ccnc(NC(=O)[C@@]2(C#N)CC3CCC2CC3)c1 ZINC000907323629 622113889 /nfs/dbraw/zinc/11/38/89/622113889.db2.gz HRMQBJQXCRNOHH-QWQCLYJRSA-N 0 1 298.390 2.806 20 30 CFEDMN C=CC[C@H]1N(C(=O)Cc2c[nH]cn2)CCCC1(C)C ZINC000907774339 622161622 /nfs/dbraw/zinc/16/16/22/622161622.db2.gz MLCOXSIZPAINAN-CYBMUJFWSA-N 0 1 261.369 2.546 20 30 CFEDMN CC(C)(C)Oc1ccc(NC(=O)Cc2cnc[nH]2)cc1C#N ZINC000908682609 622259626 /nfs/dbraw/zinc/25/96/26/622259626.db2.gz CLKVSUBIICIDRL-UHFFFAOYSA-N 0 1 298.346 2.640 20 30 CFEDMN C=C(C)Cn1c(C(C)C)nnc1N1CCN(C)C(C)(C)C1 ZINC000909241936 622327344 /nfs/dbraw/zinc/32/73/44/622327344.db2.gz OBBSKBGFUMTBHX-UHFFFAOYSA-N 0 1 291.443 2.508 20 30 CFEDMN C#CCN(CC(=O)N1[C@H](C)CCC[C@H]1C)C1CCCC1 ZINC000155840086 622468996 /nfs/dbraw/zinc/46/89/96/622468996.db2.gz LUBXLRHKXLMEOG-HUUCEWRRSA-N 0 1 276.424 2.654 20 30 CFEDMN CCCCCCCCC(=O)N1CC[C@@H](c2nc[nH]n2)C1 ZINC000819719805 622547407 /nfs/dbraw/zinc/54/74/07/622547407.db2.gz HPGDGIDQAHVHKD-CYBMUJFWSA-N 0 1 278.400 2.871 20 30 CFEDMN C[C@H](NN=Cc1ccc(N2CCCC2)nc1)c1ccncc1 ZINC000819816764 622563301 /nfs/dbraw/zinc/56/33/01/622563301.db2.gz OOFPCNQNZZGVOV-AWEZNQCLSA-N 0 1 295.390 2.762 20 30 CFEDMN CCN1[C@H](C)CN(C(=O)/C=C/c2ccccc2C#N)C[C@@H]1C ZINC000912027427 622608302 /nfs/dbraw/zinc/60/83/02/622608302.db2.gz QKQJMRWPYDGRNL-COAGHLHKSA-N 0 1 297.402 2.513 20 30 CFEDMN Cc1nc2cccc(C(=O)NCCC#C[Si](C)(C)C)c2[nH]1 ZINC000912328344 622680371 /nfs/dbraw/zinc/68/03/71/622680371.db2.gz GTASNFYQYBTPQM-UHFFFAOYSA-N 0 1 299.450 2.872 20 30 CFEDMN C#C[C@@](C)(CC)NC(=O)c1ccc(CN2CCCCC2)o1 ZINC000821003551 622816388 /nfs/dbraw/zinc/81/63/88/622816388.db2.gz CPHWGKIFTDGTRL-KRWDZBQOSA-N 0 1 288.391 2.797 20 30 CFEDMN C=CCC[C@@H](NC(=O)CN1CCCC1)c1ccccc1 ZINC000821116461 622850506 /nfs/dbraw/zinc/85/05/06/622850506.db2.gz XYLSXEDLAPTKHU-MRXNPFEDSA-N 0 1 272.392 2.906 20 30 CFEDMN C#CC[C@@H](CO)NCc1ccc(-c2ccccc2)cc1OC ZINC000821207090 622868544 /nfs/dbraw/zinc/86/85/44/622868544.db2.gz KIVKLXGESICCQY-SFHVURJKSA-N 0 1 295.382 2.836 20 30 CFEDMN C=CCCC(=O)[C@H]1CCCN1C(=O)c1cccc(F)c1O ZINC000821299605 622888348 /nfs/dbraw/zinc/88/83/48/622888348.db2.gz QALHYFXLMRHGDM-CYBMUJFWSA-N 0 1 291.322 2.671 20 30 CFEDMN N#C[C@@H]1CCC[C@@H](OC(=O)c2cc3[nH]cnc3cc2F)C1 ZINC000821375987 622907890 /nfs/dbraw/zinc/90/78/90/622907890.db2.gz KPRMKPYDZMWBEM-NXEZZACHSA-N 0 1 287.294 2.941 20 30 CFEDMN C#Cc1cccc(NC(=O)CN(C)CC/C=C/CC)c1 ZINC000184455214 625604660 /nfs/dbraw/zinc/60/46/60/625604660.db2.gz JOZNCYHRZXVYOY-VOTSOKGWSA-N 0 1 270.376 2.895 20 30 CFEDMN CN(C)CC#CCNC(=O)c1ccc(C2=CCCC2)cc1 ZINC000913522360 622912013 /nfs/dbraw/zinc/91/20/13/622912013.db2.gz GBWLRLKVYSZVKB-UHFFFAOYSA-N 0 1 282.387 2.549 20 30 CFEDMN Cc1n[nH]c(C)c1/C=C/C(=O)c1ccc(C)cc1O ZINC000156704722 622956139 /nfs/dbraw/zinc/95/61/39/622956139.db2.gz UTBHQEJBFVZTDO-VOTSOKGWSA-N 0 1 256.305 2.937 20 30 CFEDMN C=CCc1cc(CN2CCO[C@H](C)[C@@H]2C)c(O)c(OC)c1 ZINC000164514742 622958038 /nfs/dbraw/zinc/95/80/38/622958038.db2.gz FMERKMANNOZEEN-QWHCGFSZSA-N 0 1 291.391 2.739 20 30 CFEDMN C=C(CC)CNC(=O)c1ccc(CN2CCCCC2)o1 ZINC000822010797 623016902 /nfs/dbraw/zinc/01/69/02/623016902.db2.gz AAOHVRUGLKGZBR-UHFFFAOYSA-N 0 1 276.380 2.962 20 30 CFEDMN COc1ccccc1NC(=O)C(C#N)C(=O)[C@@H](C)C(C)C ZINC000172021149 623253303 /nfs/dbraw/zinc/25/33/03/623253303.db2.gz XHROYOTZJPNHCF-RYUDHWBXSA-N 0 1 288.347 2.635 20 30 CFEDMN Cc1cccc(NC(=O)C(C#N)C(=O)[C@H](C)C(C)C)c1 ZINC000172020668 623254053 /nfs/dbraw/zinc/25/40/53/623254053.db2.gz BKPVEHUBAVSZEP-OCCSQVGLSA-N 0 1 272.348 2.935 20 30 CFEDMN C=CC1(CC(=O)N2CC[C@@H](c3nc[nH]n3)C2)CCCCC1 ZINC000823188421 623257571 /nfs/dbraw/zinc/25/75/71/623257571.db2.gz IAJRQFKFMQCZEU-CYBMUJFWSA-N 0 1 288.395 2.647 20 30 CFEDMN C[C@H](c1cccc(C#N)c1)[N@@H+](C)C[C@@H](O)c1ccc(F)cn1 ZINC000823618195 623363289 /nfs/dbraw/zinc/36/32/89/623363289.db2.gz PKPNTEHNZNMGBY-SJKOYZFVSA-N 0 1 299.349 2.819 20 30 CFEDMN CCCCC[C@H](C)CC(=O)C(C#N)C(=O)N1CCCC1 ZINC000173935110 623374413 /nfs/dbraw/zinc/37/44/13/623374413.db2.gz GFQIVISBXJVXKQ-KBPBESRZSA-N 0 1 278.396 2.924 20 30 CFEDMN CC(C)NC(=O)C(C#N)C(=O)C1CCCCCCC1 ZINC000173981995 623378903 /nfs/dbraw/zinc/37/89/03/623378903.db2.gz CZDZVSYQZLWSJC-CYBMUJFWSA-N 0 1 264.369 2.580 20 30 CFEDMN CCCCC[C@H](C)CC(=O)[C@H](C#N)C(=O)NC(C)C ZINC000173981809 623379308 /nfs/dbraw/zinc/37/93/08/623379308.db2.gz LSHOCDSEHMEXAB-STQMWFEESA-N 0 1 266.385 2.826 20 30 CFEDMN C=CCN1CC[C@H](NC(=O)CC2CC(c3ccccc3)C2)C1 ZINC001015004453 623449541 /nfs/dbraw/zinc/44/95/41/623449541.db2.gz PIDDROBYDPKQIC-VJFUWPCTSA-N 0 1 298.430 2.947 20 30 CFEDMN C#CCN(Cc1ccc2c(c1)OCCCCO2)C1CC1 ZINC000824172481 623464103 /nfs/dbraw/zinc/46/41/03/623464103.db2.gz PBMIWGWQMCRRBR-UHFFFAOYSA-N 0 1 271.360 2.836 20 30 CFEDMN C=C[C@@H](C)ONC(=O)Cc1csc(C2CCCC2)n1 ZINC000824232986 623473225 /nfs/dbraw/zinc/47/32/25/623473225.db2.gz OLSVEVCNPARWEP-SNVBAGLBSA-N 0 1 280.393 2.966 20 30 CFEDMN C=C(C)CONC(=O)Cc1csc(C2CCCC2)n1 ZINC000824232064 623473437 /nfs/dbraw/zinc/47/34/37/623473437.db2.gz DQZHXWJOCFOSAK-UHFFFAOYSA-N 0 1 280.393 2.967 20 30 CFEDMN CC(=NNc1ccc(C)cn1)c1ccc(O)cc1O ZINC000757461409 623484267 /nfs/dbraw/zinc/48/42/67/623484267.db2.gz NPLKSSXROIJHJB-UHFFFAOYSA-N 0 1 257.293 2.637 20 30 CFEDMN CCCCCNC(=O)C(C#N)C(=O)CC(CC)CC ZINC000151545348 623486809 /nfs/dbraw/zinc/48/68/09/623486809.db2.gz TWWSOACUCZRXBJ-CYBMUJFWSA-N 0 1 266.385 2.828 20 30 CFEDMN CCCCN(Cn1ccc(C)c(C#N)c1=O)[C@H](C)CC ZINC000758207004 623501763 /nfs/dbraw/zinc/50/17/63/623501763.db2.gz PVLDLZFDNMVJID-CQSZACIVSA-N 0 1 275.396 2.887 20 30 CFEDMN C#CCCCC(=O)OC[C@H]1CCCN1Cc1ccco1 ZINC000759596302 623557182 /nfs/dbraw/zinc/55/71/82/623557182.db2.gz CWSQCJLUQHPODW-CQSZACIVSA-N 0 1 275.348 2.591 20 30 CFEDMN N#CCCCCC(=O)N1C[C@@H]2C[C@H]1CN2Cc1ccccc1 ZINC000913687441 623560303 /nfs/dbraw/zinc/56/03/03/623560303.db2.gz JWZCHSQPIIPPHN-IRXDYDNUSA-N 0 1 297.402 2.556 20 30 CFEDMN C#CCN1CC[C@]2(NC(=O)c3ccc(C)cc3C)CCC[C@@H]12 ZINC000992487775 623614375 /nfs/dbraw/zinc/61/43/75/623614375.db2.gz ISDIXJZLDPCJMG-IEBWSBKVSA-N 0 1 296.414 2.663 20 30 CFEDMN C=CCC1(NC(=O)c2cc(F)cc(F)c2O)CCOCC1 ZINC000825208929 623650126 /nfs/dbraw/zinc/65/01/26/623650126.db2.gz ZBQIIVXGOMXNPU-UHFFFAOYSA-N 0 1 297.301 2.526 20 30 CFEDMN Cn1nc(C2CC2)cc1CNCc1ccc(C#N)c(F)c1 ZINC000825232090 623655776 /nfs/dbraw/zinc/65/57/76/623655776.db2.gz PRFLUCPDICGEKE-UHFFFAOYSA-N 0 1 284.338 2.598 20 30 CFEDMN CC1(C(=O)Nc2nc3ccc(C#N)cc3[nH]2)CC(F)(F)C1 ZINC000825339678 623677242 /nfs/dbraw/zinc/67/72/42/623677242.db2.gz FWOZCFHEOCKSDO-UHFFFAOYSA-N 0 1 290.273 2.808 20 30 CFEDMN C=CC[C@@H](CO)C[NH2+]Cc1cc(Cl)c(C)cc1[O-] ZINC000825400431 623687195 /nfs/dbraw/zinc/68/71/95/623687195.db2.gz KVYGZNWJPFLWOW-LLVKDONJSA-N 0 1 269.772 2.628 20 30 CFEDMN C#C[C@@H]([NH2+]Cc1cc(Cl)c(C)cc1[O-])[C@@H]1CCCO1 ZINC000825548562 623713703 /nfs/dbraw/zinc/71/37/03/623713703.db2.gz HQWYSWRKULUUQB-HIFRSBDPSA-N 0 1 279.767 2.624 20 30 CFEDMN CCN(C(=O)c1ccc(CN2CCCCC2)o1)[C@H](C)C#N ZINC000825635160 623728711 /nfs/dbraw/zinc/72/87/11/623728711.db2.gz MDFPHWIFVDHYJU-CYBMUJFWSA-N 0 1 289.379 2.640 20 30 CFEDMN COc1cc(CNCCC#N)c(O)c(C(C)(C)C)c1 ZINC000825720719 623746659 /nfs/dbraw/zinc/74/66/59/623746659.db2.gz JJMSLKGSOSWWDF-UHFFFAOYSA-N 0 1 262.353 2.702 20 30 CFEDMN C#C[C@H]1CCC[N@H+](Cc2c(C3CCC3)cnn2C)C1 ZINC000826535241 623806908 /nfs/dbraw/zinc/80/69/08/623806908.db2.gz ULKAKEFKEOBRBX-ZDUSSCGKSA-N 0 1 257.381 2.533 20 30 CFEDMN C#C[C@H]1CCCN(Cc2c(C3CCC3)cnn2C)C1 ZINC000826535241 623806914 /nfs/dbraw/zinc/80/69/14/623806914.db2.gz ULKAKEFKEOBRBX-ZDUSSCGKSA-N 0 1 257.381 2.533 20 30 CFEDMN C#CCCN1CCC[C@H](NC(=O)c2ccc(C)s2)[C@@H]1C ZINC000992967761 623821277 /nfs/dbraw/zinc/82/12/77/623821277.db2.gz OITAUBHDSGDLFI-KBPBESRZSA-N 0 1 290.432 2.663 20 30 CFEDMN CC[C@@H](C#N)OC(=O)c1ccc(-c2nnc(C3CC3)[nH]2)cc1 ZINC000153025407 623823548 /nfs/dbraw/zinc/82/35/48/623823548.db2.gz KLAXVHMHGPPXRV-ZDUSSCGKSA-N 0 1 296.330 2.808 20 30 CFEDMN C=C(C)C[N@@H+]1CCC[C@@H](NC(=O)Cc2cccs2)[C@H]1C ZINC000992981479 623829116 /nfs/dbraw/zinc/82/91/16/623829116.db2.gz LEISEDVGJGPFTG-UKRRQHHQSA-N 0 1 292.448 2.836 20 30 CFEDMN C=CCN1CCC[C@@H](NC(=O)c2ccc(C)s2)[C@@H]1C ZINC000992984833 623829313 /nfs/dbraw/zinc/82/93/13/623829313.db2.gz STWRUHWHQGNHTD-QWHCGFSZSA-N 0 1 278.421 2.825 20 30 CFEDMN C=C(C)CN1CCC[C@H](NC(=O)c2ccoc2C)[C@H]1C ZINC000993013345 623843081 /nfs/dbraw/zinc/84/30/81/623843081.db2.gz LYRFGFQAHKGDBQ-DOMZBBRYSA-N 0 1 276.380 2.747 20 30 CFEDMN COC(=O)/C=C\c1ccc(CN2CCC[C@@H](CC#N)C2)o1 ZINC000826861293 623896338 /nfs/dbraw/zinc/89/63/38/623896338.db2.gz DLJZJCIKEQDANT-FWWRYZNZSA-N 0 1 288.347 2.591 20 30 CFEDMN C#CCN1CCC[C@@H](NC(=O)C2CCCCCC2)[C@H]1C ZINC000993115981 623921973 /nfs/dbraw/zinc/92/19/73/623921973.db2.gz DJRJWYQZEDJOPI-GDBMZVCRSA-N 0 1 276.424 2.559 20 30 CFEDMN C[C@@H]1CC(=NOC[C@H]2CCOC2)CN1Cc1ccccc1 ZINC000788034666 623972980 /nfs/dbraw/zinc/97/29/80/623972980.db2.gz VAOINZNHGAHCFP-ZBFHGGJFSA-N 0 1 288.391 2.690 20 30 CFEDMN C=CCN1CCC[C@@H](NC(=O)C2C(C)(C)C2(C)C)[C@@H]1C ZINC000993188173 623994543 /nfs/dbraw/zinc/99/45/43/623994543.db2.gz UKSSIHGZTOXJQZ-QWHCGFSZSA-N 0 1 278.440 2.824 20 30 CFEDMN C=C(Cl)CN[C@@H]1CN(C(=O)C[C@@H]2C=CCC2)CC1(C)C ZINC000995412293 625691838 /nfs/dbraw/zinc/69/18/38/625691838.db2.gz ASPFHRAPMFPDNI-ZIAGYGMSSA-N 0 1 296.842 2.922 20 30 CFEDMN C#C[C@H](NCc1cccc(O)c1Cl)C1CCOCC1 ZINC000827555432 624030097 /nfs/dbraw/zinc/03/00/97/624030097.db2.gz UALNYPSVYMNJOH-ZDUSSCGKSA-N 0 1 279.767 2.564 20 30 CFEDMN C#CCCN1CCC[C@@H](NC(=O)c2cc(C)cs2)[C@H]1C ZINC000993306484 624072102 /nfs/dbraw/zinc/07/21/02/624072102.db2.gz GAQFCCPZKLFTGR-ZIAGYGMSSA-N 0 1 290.432 2.663 20 30 CFEDMN C#CCCN(CCOC)Cc1ccc(Br)o1 ZINC000827826421 624092605 /nfs/dbraw/zinc/09/26/05/624092605.db2.gz FZSHZFOBMCKZPA-UHFFFAOYSA-N 0 1 286.169 2.514 20 30 CFEDMN C#CCCN(CCOC)Cc1cnc(C2CCC2)s1 ZINC000827822564 624102512 /nfs/dbraw/zinc/10/25/12/624102512.db2.gz AHSSLWCZNWDHFN-UHFFFAOYSA-N 0 1 278.421 2.882 20 30 CFEDMN C#CCCN(CCOC)Cc1cnc(-c2ccccc2)[nH]1 ZINC000827822683 624102522 /nfs/dbraw/zinc/10/25/22/624102522.db2.gz BREIRZSEOPNQLH-UHFFFAOYSA-N 0 1 283.375 2.548 20 30 CFEDMN C#CCC[N@H+](CCOC)Cc1c([O-])ccc(Cl)c1F ZINC000827827632 624105052 /nfs/dbraw/zinc/10/50/52/624105052.db2.gz WAKIIJSTLOGITK-UHFFFAOYSA-N 0 1 285.746 2.656 20 30 CFEDMN C=CC[N@@H+]1CCC[C@H](NC(=O)c2cccc(C)c2F)[C@H]1C ZINC000993368606 624124453 /nfs/dbraw/zinc/12/44/53/624124453.db2.gz XVODXCRHDMHCCM-HIFRSBDPSA-N 0 1 290.382 2.903 20 30 CFEDMN C=CCN1CCC[C@H](NC(=O)c2cccc(C)c2F)[C@H]1C ZINC000993368606 624124458 /nfs/dbraw/zinc/12/44/58/624124458.db2.gz XVODXCRHDMHCCM-HIFRSBDPSA-N 0 1 290.382 2.903 20 30 CFEDMN C=CCN1CCC[C@H](NC(=O)c2ccnc(C3CC3)c2)[C@@H]1C ZINC000993536048 624150695 /nfs/dbraw/zinc/15/06/95/624150695.db2.gz KTXBYBSVTLUOQQ-BBRMVZONSA-N 0 1 299.418 2.728 20 30 CFEDMN C=CCN1CCC[C@@H](NC(=O)C2(C)CCCC2)[C@@H]1C ZINC000993654220 624156638 /nfs/dbraw/zinc/15/66/38/624156638.db2.gz LYFCNLPACMCWTO-UONOGXRCSA-N 0 1 264.413 2.722 20 30 CFEDMN C=CCN1CCC[C@@H](NC(=O)c2ccc(F)c(C)c2)[C@@H]1C ZINC000993724951 624161206 /nfs/dbraw/zinc/16/12/06/624161206.db2.gz GSBUKSKZXXOIDN-XJKSGUPXSA-N 0 1 290.382 2.903 20 30 CFEDMN CC#CCN1CCC[C@H](NC(=O)C2CC3(CCC3)C2)[C@H]1C ZINC000993699382 624162307 /nfs/dbraw/zinc/16/23/07/624162307.db2.gz CNAZMPXTYKQYNR-ZBFHGGJFSA-N 0 1 288.435 2.559 20 30 CFEDMN C=CCN1CCC[C@@H](NC(=O)c2cc[nH]c2CCC)[C@@H]1C ZINC000993701666 624162444 /nfs/dbraw/zinc/16/24/44/624162444.db2.gz JAJFVYKNWIBNQF-DZGCQCFKSA-N 0 1 289.423 2.736 20 30 CFEDMN C=CCN1CCC[C@@H](NC(=O)c2cc3ccccn3c2)[C@@H]1C ZINC000993908743 624174116 /nfs/dbraw/zinc/17/41/16/624174116.db2.gz VIIVIQNPWMJHKP-WMLDXEAASA-N 0 1 297.402 2.708 20 30 CFEDMN C=CCN1CCC[C@H](NC(=O)c2cncc(Cl)c2)[C@@H]1C ZINC000994011728 624177285 /nfs/dbraw/zinc/17/72/85/624177285.db2.gz UODOLEFOAGWUMI-FZMZJTMJSA-N 0 1 293.798 2.504 20 30 CFEDMN CCCCC1(C(=O)NOc2cccc(C#N)c2)CC1 ZINC000828148551 624185834 /nfs/dbraw/zinc/18/58/34/624185834.db2.gz QSUKQGUBKWJEOO-UHFFFAOYSA-N 0 1 258.321 2.939 20 30 CFEDMN COc1ccc(CN=Nc2nc3ccccc3n2C)cc1O ZINC000915967199 624195976 /nfs/dbraw/zinc/19/59/76/624195976.db2.gz FDAFCPKRXQCBJB-UHFFFAOYSA-N 0 1 296.330 2.734 20 30 CFEDMN CCOc1ccc(C=NNc2cc(C)nc(C)n2)c(O)c1 ZINC000915971030 624197251 /nfs/dbraw/zinc/19/72/51/624197251.db2.gz ZFMOADKUKFUSTO-UHFFFAOYSA-N 0 1 286.335 2.644 20 30 CFEDMN O=[N+]([O-])c1ccc(NN=Cc2cc(F)ccc2F)nc1 ZINC000915969598 624197319 /nfs/dbraw/zinc/19/73/19/624197319.db2.gz SNDVCWGSGTVQAD-UHFFFAOYSA-N 0 1 278.218 2.714 20 30 CFEDMN Clc1ccccc1C=NNc1ccc(-n2cccn2)nn1 ZINC000915972142 624198717 /nfs/dbraw/zinc/19/87/17/624198717.db2.gz DUGBCHVXEOKLSD-UHFFFAOYSA-N 0 1 298.737 2.762 20 30 CFEDMN CSc1ccc(C=NNCCN2CCCCC2)cc1 ZINC000915973308 624198892 /nfs/dbraw/zinc/19/88/92/624198892.db2.gz FJAMJCNEWPTSFV-UHFFFAOYSA-N 0 1 277.437 2.818 20 30 CFEDMN CCCNN=Cc1ccc(N2CCCCC2)c([N+](=O)[O-])c1 ZINC000915965821 624203731 /nfs/dbraw/zinc/20/37/31/624203731.db2.gz PWXPWCPMACKVGA-UHFFFAOYSA-N 0 1 290.367 2.919 20 30 CFEDMN C=CCN1CCC[C@@H](NC(=O)c2ccc(F)cc2C)[C@H]1C ZINC000994250694 624230064 /nfs/dbraw/zinc/23/00/64/624230064.db2.gz KSVAYCIMKNAIFJ-CZUORRHYSA-N 0 1 290.382 2.903 20 30 CFEDMN FC(F)(F)c1n[nH]c(=S)n1N=C[C@H]1CC=CCC1 ZINC000916305216 624238278 /nfs/dbraw/zinc/23/82/78/624238278.db2.gz MOOFHDPPWQISSN-ZETCQYMHSA-N 0 1 276.287 2.776 20 30 CFEDMN C=CCN1CCC[C@H](NC(=O)c2ccc(Cl)cn2)[C@@H]1C ZINC000994270723 624267467 /nfs/dbraw/zinc/26/74/67/624267467.db2.gz IDVZOFILVNNFPN-AAEUAGOBSA-N 0 1 293.798 2.504 20 30 CFEDMN C#CCN1CCC[C@@H](NC(=O)c2ccc(Cl)cc2)[C@@H]1C ZINC000994267513 624267718 /nfs/dbraw/zinc/26/77/18/624267718.db2.gz XJQOJSPOANTNIY-SWLSCSKDSA-N 0 1 290.794 2.556 20 30 CFEDMN Cc1cc(C=NNc2ccc([N+](=O)[O-])cn2)c(C)o1 ZINC000916662359 624271575 /nfs/dbraw/zinc/27/15/75/624271575.db2.gz AJNLPVKTFMENGN-UHFFFAOYSA-N 0 1 260.253 2.646 20 30 CFEDMN C=CCN1CCC[C@@H](NC(=O)c2ccc(C)cc2)[C@@H]1C ZINC000994295244 624274054 /nfs/dbraw/zinc/27/40/54/624274054.db2.gz ISVVWXVSBGPXRC-GOEBONIOSA-N 0 1 272.392 2.764 20 30 CFEDMN C#CCN1CCC[C@@H](NC(=O)c2cccc(C)c2C)[C@H]1C ZINC000994323558 624275830 /nfs/dbraw/zinc/27/58/30/624275830.db2.gz BJCIKGZJJFXKPR-NVXWUHKLSA-N 0 1 284.403 2.519 20 30 CFEDMN CC(C)NC(=O)[C@@H](C#N)C(=O)C[C@H](C)CC(C)(C)C ZINC000916951968 624294705 /nfs/dbraw/zinc/29/47/05/624294705.db2.gz PWTAPWVGOKOZSY-RYUDHWBXSA-N 0 1 266.385 2.682 20 30 CFEDMN CCC(CC)C(=O)C(C#N)C(=O)Nc1ccc(OC)cc1 ZINC000916950262 624294691 /nfs/dbraw/zinc/29/46/91/624294691.db2.gz OFCDUPXOIIAMDF-AWEZNQCLSA-N 0 1 288.347 2.779 20 30 CFEDMN C=CCN1CCC[C@@H](NC(=O)c2ccc(CF)cc2)[C@H]1C ZINC000994498888 624314647 /nfs/dbraw/zinc/31/46/47/624314647.db2.gz UTVWPAAMRJSTJZ-CZUORRHYSA-N 0 1 290.382 2.925 20 30 CFEDMN C=CCN(CC(=O)N(CC(F)(F)F)C(C)C)C(C)C ZINC000917167883 624320741 /nfs/dbraw/zinc/32/07/41/624320741.db2.gz GKPSUAHABSEFLI-UHFFFAOYSA-N 0 1 280.334 2.682 20 30 CFEDMN CCCCCCCN(CC(N)=O)Cc1ccccc1 ZINC000917363539 624337300 /nfs/dbraw/zinc/33/73/00/624337300.db2.gz RRJMPYGURKIMMC-UHFFFAOYSA-N 0 1 262.397 2.944 20 30 CFEDMN C=C(C)[C@H](NCC[S@](C)=O)c1ccc(F)c(F)c1 ZINC000828947092 624337834 /nfs/dbraw/zinc/33/78/34/624337834.db2.gz MNDDIBNWSRKGOT-UGSOOPFHSA-N 0 1 273.348 2.550 20 30 CFEDMN C#C[C@@H](NCc1ccc(Cl)c(OC)c1)[C@@H]1CCCO1 ZINC000828954892 624340375 /nfs/dbraw/zinc/34/03/75/624340375.db2.gz YCKRLUYSHROARV-KGLIPLIRSA-N 0 1 279.767 2.619 20 30 CFEDMN C#CCCCOC(=O)c1ccc(CN2CCCCC2)o1 ZINC000923832320 624349708 /nfs/dbraw/zinc/34/97/08/624349708.db2.gz VVUTYXLESNOFEF-UHFFFAOYSA-N 0 1 275.348 2.836 20 30 CFEDMN CCCOc1ccc(C=NNc2ncnc3[nH]cnc32)cc1 ZINC000917555725 624359521 /nfs/dbraw/zinc/35/95/21/624359521.db2.gz NGCAUHBKUNUXBT-UHFFFAOYSA-N 0 1 296.334 2.588 20 30 CFEDMN C=CCN(CCOC)C[C@]1(C)CC1(Cl)Cl ZINC000829177785 624393612 /nfs/dbraw/zinc/39/36/12/624393612.db2.gz LRSGFPGTBXKDIL-JTQLQIEISA-N 0 1 252.185 2.705 20 30 CFEDMN C[C@H](C#N)OCCNC1(c2ccccc2Cl)CC1 ZINC000829483752 624442804 /nfs/dbraw/zinc/44/28/04/624442804.db2.gz MGAOHRMSUQUKCQ-LLVKDONJSA-N 0 1 264.756 2.847 20 30 CFEDMN C#CC[C@@H]1CCCN(CC(=O)N[C@H](C)c2cccs2)C1 ZINC000829768331 624527739 /nfs/dbraw/zinc/52/77/39/624527739.db2.gz CBEDWGKSTGHGEH-ZIAGYGMSSA-N 0 1 290.432 2.661 20 30 CFEDMN C#CC[C@@H]1CCCN(CC(=O)N2c3ccccc3C[C@H]2C)C1 ZINC000829768573 624528184 /nfs/dbraw/zinc/52/81/84/624528184.db2.gz GNETYCFNXXWXAJ-HZPDHXFCSA-N 0 1 296.414 2.700 20 30 CFEDMN C#CC[C@H]1CCCN(Cc2c(C)nn(C)c2Cl)C1 ZINC000829778657 624533191 /nfs/dbraw/zinc/53/31/91/624533191.db2.gz GDZGYAGDBCHIEW-LBPRGKRZSA-N 0 1 265.788 2.617 20 30 CFEDMN C#CC[C@@H]1CCCN(CC(=O)Nc2cccc(C)c2C)C1 ZINC000829779387 624534793 /nfs/dbraw/zinc/53/47/93/624534793.db2.gz SQWCLASHHKOOOG-MRXNPFEDSA-N 0 1 284.403 2.977 20 30 CFEDMN C#CC[C@H]1CCCN(CC(=O)Nc2ccc(C)c(F)c2)C1 ZINC000829779146 624534871 /nfs/dbraw/zinc/53/48/71/624534871.db2.gz OKPGFBRYWPLBFG-AWEZNQCLSA-N 0 1 288.366 2.808 20 30 CFEDMN C#CC[C@@H]1CCCN(Cc2ccc(F)cc2C(=O)OC)C1 ZINC000829784692 624536578 /nfs/dbraw/zinc/53/65/78/624536578.db2.gz LPXUXWSQPKEUEY-CYBMUJFWSA-N 0 1 289.350 2.848 20 30 CFEDMN C#CC[C@H]1CCC[N@@H+](Cc2cc(F)cc(C(C)=O)c2[O-])C1 ZINC000829785376 624536856 /nfs/dbraw/zinc/53/68/56/624536856.db2.gz VFLQILLKBBVYGX-ZDUSSCGKSA-N 0 1 289.350 2.969 20 30 CFEDMN C#CC[C@H]1CCC[N@H+](Cc2cc(F)cc(C(C)=O)c2[O-])C1 ZINC000829785376 624536862 /nfs/dbraw/zinc/53/68/62/624536862.db2.gz VFLQILLKBBVYGX-ZDUSSCGKSA-N 0 1 289.350 2.969 20 30 CFEDMN CCC[C@H](C)C(=O)OCC(=O)[C@@H](C#N)c1nc(C)cs1 ZINC000919231866 624539004 /nfs/dbraw/zinc/53/90/04/624539004.db2.gz ZMQCMKHYQFEPEC-GXSJLCMTSA-N 0 1 294.376 2.607 20 30 CFEDMN CCC[C@H](C)C(=O)OCC(=O)C(C#N)c1nc(C)cs1 ZINC000919231866 624539010 /nfs/dbraw/zinc/53/90/10/624539010.db2.gz ZMQCMKHYQFEPEC-GXSJLCMTSA-N 0 1 294.376 2.607 20 30 CFEDMN C#CC[C@H]1CCCN(Cc2csc(N(C)C3CC3)n2)C1 ZINC000829789677 624539618 /nfs/dbraw/zinc/53/96/18/624539618.db2.gz ZFNNNZQGVVSCMN-ZDUSSCGKSA-N 0 1 289.448 2.977 20 30 CFEDMN C#CC[C@H]1CCCN(Cc2csc(C(=O)OC)c2)C1 ZINC000829815278 624554083 /nfs/dbraw/zinc/55/40/83/624554083.db2.gz IRPCIXJHOYHEKK-LBPRGKRZSA-N 0 1 277.389 2.770 20 30 CFEDMN C#CC1CCN([C@H](C)C(=O)Nc2ccc(C)c(C)c2)CC1 ZINC000830305844 624704131 /nfs/dbraw/zinc/70/41/31/624704131.db2.gz WRRHMHITZQFPOX-OAHLLOKOSA-N 0 1 284.403 2.976 20 30 CFEDMN C#CC1CCN([C@@H](C)C(=O)Nc2ccc(C)c(C)c2)CC1 ZINC000830305843 624704206 /nfs/dbraw/zinc/70/42/06/624704206.db2.gz WRRHMHITZQFPOX-HNNXBMFYSA-N 0 1 284.403 2.976 20 30 CFEDMN C#CC1CCN([C@H](C)C(=O)Nc2cc(C)ccc2C)CC1 ZINC000830311846 624706402 /nfs/dbraw/zinc/70/64/02/624706402.db2.gz XLQDMUFGIKKHIC-OAHLLOKOSA-N 0 1 284.403 2.976 20 30 CFEDMN COc1ccc(NC(=O)c2cn[nH]c2C(C)(C)C)cc1C#N ZINC000830413269 624738386 /nfs/dbraw/zinc/73/83/86/624738386.db2.gz MBBTXSPPKOFSRJ-UHFFFAOYSA-N 0 1 298.346 2.840 20 30 CFEDMN CCCCCCCN1CCCC[C@H]1CS(C)(=O)=O ZINC000831782067 625123546 /nfs/dbraw/zinc/12/35/46/625123546.db2.gz BAJMITKKCXMEFG-AWEZNQCLSA-N 0 1 275.458 2.856 20 30 CFEDMN CCCCCCNC(=O)C(C#N)C(=O)C1CCCC1 ZINC000069910881 625243079 /nfs/dbraw/zinc/24/30/79/625243079.db2.gz NLJMEZSWFZBAKO-ZDUSSCGKSA-N 0 1 264.369 2.582 20 30 CFEDMN CCCCCNC(=O)C(C#N)C(=O)CCC1CCCC1 ZINC000069911285 625243891 /nfs/dbraw/zinc/24/38/91/625243891.db2.gz DSGIZAAXZONAEY-AWEZNQCLSA-N 0 1 278.396 2.972 20 30 CFEDMN CC(C)C[C@H](C)CC(=O)[C@H](C#N)C(=O)NC1CCCC1 ZINC000070033851 625257888 /nfs/dbraw/zinc/25/78/88/625257888.db2.gz BETHONLBGCXWKS-JSGCOSHPSA-N 0 1 278.396 2.826 20 30 CFEDMN C=C(Cl)CN[C@@H]1CN(C(=O)[C@]23C[C@H]2CCC3)CC1(C)C ZINC000996064206 625872190 /nfs/dbraw/zinc/87/21/90/625872190.db2.gz MPFXDBJSVJUFMF-XJKCOSOUSA-N 0 1 296.842 2.756 20 30 CFEDMN Cc1cc([C@@H](C)NCc2ccc(C#N)c(F)c2)n(C)n1 ZINC000834901728 625915723 /nfs/dbraw/zinc/91/57/23/625915723.db2.gz BKLBKGZNDNXHNK-LLVKDONJSA-N 0 1 272.327 2.590 20 30 CFEDMN C[C@@H](NN=Cc1cccc(Cl)c1O)C(F)(F)F ZINC000834999084 625948600 /nfs/dbraw/zinc/94/86/00/625948600.db2.gz BIPUQCDWJILOBQ-ZCFIWIBFSA-N 0 1 266.650 2.920 20 30 CFEDMN C[C@@H]1C(N=Nc2ccncn2)CCN1Cc1ccccc1 ZINC000835000253 625949906 /nfs/dbraw/zinc/94/99/06/625949906.db2.gz CDWXTTIMLVBQSB-CYBMUJFWSA-N 0 1 281.363 2.539 20 30 CFEDMN CC[N@H+]1CCC(N=Nc2ccc(C(=O)[O-])cc2F)[C@@H](C)C1 ZINC000835012280 625958806 /nfs/dbraw/zinc/95/88/06/625958806.db2.gz OJAVMVOYRYGHQM-JTQLQIEISA-N 0 1 293.342 2.654 20 30 CFEDMN CC(=NN[C@@H]1CCOC1(C)C)c1ccc(F)cc1N(C)C ZINC000835018097 625964135 /nfs/dbraw/zinc/96/41/35/625964135.db2.gz VFGPALHKICDPOD-OAHLLOKOSA-N 0 1 293.386 2.773 20 30 CFEDMN C=CCN1CC[C@H](NC(=O)c2cccc(C(F)F)c2)C1 ZINC001016048318 626015454 /nfs/dbraw/zinc/01/54/54/626015454.db2.gz DDLJTDRPNZXMNX-ZDUSSCGKSA-N 0 1 280.318 2.614 20 30 CFEDMN C=CCN1CC[C@H](NC(=O)Cc2cccc3ccccc32)C1 ZINC001016074980 626027185 /nfs/dbraw/zinc/02/71/85/626027185.db2.gz LVBXWLVVNXJMFX-KRWDZBQOSA-N 0 1 294.398 2.759 20 30 CFEDMN C=C(Cl)CN[C@H]1CCCN(C(=O)/C=C(\C)C2CC2)C1 ZINC000998634845 626058851 /nfs/dbraw/zinc/05/88/51/626058851.db2.gz MHPWFWBALUEVKG-ZHZWZMEUSA-N 0 1 282.815 2.676 20 30 CFEDMN C=C(Cl)CN[C@H]1CCCN(C(=O)CC2(C)CC2)C1 ZINC000999736281 626079093 /nfs/dbraw/zinc/07/90/93/626079093.db2.gz QEHFEXPAKXSPIR-LBPRGKRZSA-N 0 1 270.804 2.510 20 30 CFEDMN C=C(Cl)CN[C@@H]1CCCN(C(=O)C[C@@H]2C[C@H]2C2CC2)C1 ZINC000999759466 626079570 /nfs/dbraw/zinc/07/95/70/626079570.db2.gz CFEIDYPYMFFERK-ZNMIVQPWSA-N 0 1 296.842 2.756 20 30 CFEDMN C=C(Cl)CN[C@H]1CCCN(C(=O)C2(CC)CCC2)C1 ZINC000999944091 626084760 /nfs/dbraw/zinc/08/47/60/626084760.db2.gz NVNOPAAGHNPBKD-ZDUSSCGKSA-N 0 1 284.831 2.900 20 30 CFEDMN C=C(Cl)CN[C@H]1CCCN(C(=O)C(C)(C)C2CC2)C1 ZINC000999951993 626084935 /nfs/dbraw/zinc/08/49/35/626084935.db2.gz VMBZOXXIJFQJBB-ZDUSSCGKSA-N 0 1 284.831 2.756 20 30 CFEDMN C=C(Cl)CN[C@H]1CCCN(C(=O)[C@H](C)C(C)(F)F)C1 ZINC001000228890 626097750 /nfs/dbraw/zinc/09/77/50/626097750.db2.gz VNOGDEIFWXOXDK-QWRGUYRKSA-N 0 1 294.773 2.611 20 30 CFEDMN C=C(Cl)CN[C@H]1CCCN(C(=O)[C@@H](C)C(C)(F)F)C1 ZINC001000228883 626097767 /nfs/dbraw/zinc/09/77/67/626097767.db2.gz VNOGDEIFWXOXDK-MNOVXSKESA-N 0 1 294.773 2.611 20 30 CFEDMN C=C(Cl)CN[C@@H]1CCCN(C(=O)[C@H](C)C(C)(F)F)C1 ZINC001000228895 626097933 /nfs/dbraw/zinc/09/79/33/626097933.db2.gz VNOGDEIFWXOXDK-WDEREUQCSA-N 0 1 294.773 2.611 20 30 CFEDMN C=C(Cl)CN[C@H]1CCCN(C(=O)[C@@H](C)C(C)C)C1 ZINC001000356182 626112374 /nfs/dbraw/zinc/11/23/74/626112374.db2.gz NQJLISDTCNBYFM-STQMWFEESA-N 0 1 272.820 2.612 20 30 CFEDMN CC#CCN1CC=C(CNC(=O)[C@@H]2CCC[C@H](C)C2)CC1 ZINC001001111511 626145362 /nfs/dbraw/zinc/14/53/62/626145362.db2.gz QPLIKNLZLWDAPF-DOTOQJQBSA-N 0 1 288.435 2.584 20 30 CFEDMN C#CCN1CC=C(CNC(=O)[C@H]2CC[C@H](CC)CC2)CC1 ZINC001001389273 626157277 /nfs/dbraw/zinc/15/72/77/626157277.db2.gz HUWDZJVQJIEELI-JCNLHEQBSA-N 0 1 288.435 2.584 20 30 CFEDMN COc1ccc(CNCc2cnn(C3CCC3)c2)cc1C#N ZINC000921916812 626177355 /nfs/dbraw/zinc/17/73/55/626177355.db2.gz HJPLOHNEROEJHM-UHFFFAOYSA-N 0 1 296.374 2.778 20 30 CFEDMN CCc1nn(C)c(CC)c1CNCc1csc(C#N)c1 ZINC000921931294 626180253 /nfs/dbraw/zinc/18/02/53/626180253.db2.gz FETISQARPUMASZ-UHFFFAOYSA-N 0 1 288.420 2.768 20 30 CFEDMN N#Cc1cc(CN[C@@]2(CO)CCCc3ccccc32)cs1 ZINC000922098306 626208407 /nfs/dbraw/zinc/20/84/07/626208407.db2.gz JBSDQAGIJDCPQV-QGZVFWFLSA-N 0 1 298.411 2.933 20 30 CFEDMN N#Cc1ccc(CNCc2cnn(CCF)c2)cc1Cl ZINC000922108884 626209690 /nfs/dbraw/zinc/20/96/90/626209690.db2.gz MILCYDOYUWJGQU-UHFFFAOYSA-N 0 1 292.745 2.667 20 30 CFEDMN C=CCOc1ccc(CNCc2c3c(nn2C)CCC3)cc1 ZINC000922123240 626211243 /nfs/dbraw/zinc/21/12/43/626211243.db2.gz UZUNONASLYWPEW-UHFFFAOYSA-N 0 1 297.402 2.763 20 30 CFEDMN CC#CCN1CCC(NC(=O)c2cc(C)sc2C)CC1 ZINC001003261660 626224245 /nfs/dbraw/zinc/22/42/45/626224245.db2.gz WJSNVRQDUOPLLC-UHFFFAOYSA-N 0 1 290.432 2.582 20 30 CFEDMN N#Cc1ccc(CNCc2cnn(CC3CCC3)c2)cc1F ZINC000922168457 626229271 /nfs/dbraw/zinc/22/92/71/626229271.db2.gz QZQFTQACQVALKB-UHFFFAOYSA-N 0 1 298.365 2.984 20 30 CFEDMN CC#CC[C@H](CO)NCc1cccc(C)c1Br ZINC000922217963 626243336 /nfs/dbraw/zinc/24/33/36/626243336.db2.gz XYCHRJMFIKSZDK-CYBMUJFWSA-N 0 1 296.208 2.621 20 30 CFEDMN CC#CCN1CCC(NC(=O)c2csc(Cl)c2)CC1 ZINC001003732756 626251600 /nfs/dbraw/zinc/25/16/00/626251600.db2.gz LOIXFBFMJHQRAU-UHFFFAOYSA-N 0 1 296.823 2.619 20 30 CFEDMN CC(C)[C@H](NCc1csc(C#N)c1)[C@H](O)C(F)(F)F ZINC000922309440 626265138 /nfs/dbraw/zinc/26/51/38/626265138.db2.gz SAHHFDJXVHNIPZ-QWRGUYRKSA-N 0 1 292.326 2.657 20 30 CFEDMN C=CCC(C)(C)CNC(=O)NCc1cc(N(C)C)ccn1 ZINC000922605203 626323338 /nfs/dbraw/zinc/32/33/38/626323338.db2.gz FNAVSYGZGQJDGU-UHFFFAOYSA-N 0 1 290.411 2.549 20 30 CFEDMN N#Cc1ccc(CNC[C@@H]2CCC[C@@H](C(F)(F)F)O2)o1 ZINC000922696979 626344264 /nfs/dbraw/zinc/34/42/64/626344264.db2.gz MDSOKBSEJBFYAJ-JQWIXIFHSA-N 0 1 288.269 2.741 20 30 CFEDMN Cc1ccc(CNCc2c(C3CC3)cnn2C)cc1C#N ZINC000922760552 626359771 /nfs/dbraw/zinc/35/97/71/626359771.db2.gz VWEALNPQZLQCFP-UHFFFAOYSA-N 0 1 280.375 2.767 20 30 CFEDMN Cc1ccc(CNCc2cnc(Cl)n2C)cc1C#N ZINC000922760689 626359911 /nfs/dbraw/zinc/35/99/11/626359911.db2.gz YPXNNYOBVCRQCK-UHFFFAOYSA-N 0 1 274.755 2.543 20 30 CFEDMN N#Cc1csc(CNC[C@H]2CCCC3(CCC3)O2)n1 ZINC000922804764 626366728 /nfs/dbraw/zinc/36/67/28/626366728.db2.gz FOMSYXRZIWZYCR-GFCCVEGCSA-N 0 1 277.393 2.596 20 30 CFEDMN C#CCN(CCO[C@H]1CC1(F)F)Cc1ccc(F)cc1 ZINC000851737919 634500245 /nfs/dbraw/zinc/50/02/45/634500245.db2.gz RDPUKQBLPYNSEB-AWEZNQCLSA-N 0 1 283.293 2.685 20 30 CFEDMN CC#CCN1CCC(N(C)C(=O)c2cscc2C)CC1 ZINC001005223237 626412713 /nfs/dbraw/zinc/41/27/13/626412713.db2.gz FZRCKWYUXNYSGR-UHFFFAOYSA-N 0 1 290.432 2.616 20 30 CFEDMN C#CCN(CCOC(F)F)Cc1ccc(F)cc1 ZINC000851737361 634501390 /nfs/dbraw/zinc/50/13/90/634501390.db2.gz APGHIHQPCQHWBX-UHFFFAOYSA-N 0 1 257.255 2.500 20 30 CFEDMN C#CCN1CCC(N(C)C(=O)[C@@H]2CCC[C@H]2CCC)CC1 ZINC001005629149 626418529 /nfs/dbraw/zinc/41/85/29/626418529.db2.gz PPBHSQUPXYCQRA-NVXWUHKLSA-N 0 1 290.451 2.759 20 30 CFEDMN N#CCCCOc1cccc(CNCc2cncc(O)c2)c1 ZINC000922976983 626437818 /nfs/dbraw/zinc/43/78/18/626437818.db2.gz LBIKBKVOFRKTQI-UHFFFAOYSA-N 0 1 297.358 2.760 20 30 CFEDMN CC#CCN1CCC(N(C)C(=O)c2ccccc2CC)CC1 ZINC001005895366 626447877 /nfs/dbraw/zinc/44/78/77/626447877.db2.gz DIPBITYZRVBBSZ-UHFFFAOYSA-N 0 1 298.430 2.809 20 30 CFEDMN CCN(Cc1cccc(Br)c1)C[C@H](O)CC#N ZINC000929378498 626465188 /nfs/dbraw/zinc/46/51/88/626465188.db2.gz HUBHKKJRCROYRR-CYBMUJFWSA-N 0 1 297.196 2.546 20 30 CFEDMN CCc1nc([C@@H](C)OC(=O)c2cc(C)c(C#N)c(C)c2)n[nH]1 ZINC000923434473 626472923 /nfs/dbraw/zinc/47/29/23/626472923.db2.gz PXVJZBOVTPICHI-LLVKDONJSA-N 0 1 298.346 2.774 20 30 CFEDMN C#CCN1CCC(N(C)C(=O)[C@@H](C)c2ccc(C)cc2)CC1 ZINC001006302983 626482629 /nfs/dbraw/zinc/48/26/29/626482629.db2.gz LNRZEEGRORIVIN-INIZCTEOSA-N 0 1 298.430 2.655 20 30 CFEDMN CCCCCNC(=O)C(C#N)C(=O)[C@@H](CC)CC(F)F ZINC000838788717 626506851 /nfs/dbraw/zinc/50/68/51/626506851.db2.gz VDJIDJRONQYJFW-WDEREUQCSA-N 0 1 288.338 2.683 20 30 CFEDMN C#CCC[C@H](C)OC(=O)c1cc(-c2ccc(C)o2)n[nH]1 ZINC000839034753 626521489 /nfs/dbraw/zinc/52/14/89/626521489.db2.gz BFFDMFZINYWJCX-JTQLQIEISA-N 0 1 272.304 2.937 20 30 CFEDMN N#CC(C(=O)C=C[C@H]1CCCO1)c1nc(C2CC2)cs1 ZINC000842942136 626523059 /nfs/dbraw/zinc/52/30/59/626523059.db2.gz GJFDHDYPJIVIIB-GKKDLHFNSA-N 0 1 288.372 2.932 20 30 CFEDMN N#C[C@H](C(=O)C=C[C@H]1CCCO1)c1nc(C2CC2)cs1 ZINC000842942136 626523060 /nfs/dbraw/zinc/52/30/60/626523060.db2.gz GJFDHDYPJIVIIB-GKKDLHFNSA-N 0 1 288.372 2.932 20 30 CFEDMN CC[C@H](C(=O)O[C@@H]1CCCC[C@H]1C#N)N(CC)CC ZINC000839084324 626524001 /nfs/dbraw/zinc/52/40/01/626524001.db2.gz IRCLVNOUXYFQRJ-BFHYXJOUSA-N 0 1 266.385 2.732 20 30 CFEDMN CC1(C#N)CN(Cc2cc(Cl)cc(F)c2O)C1 ZINC000839133396 626528044 /nfs/dbraw/zinc/52/80/44/626528044.db2.gz RZMLUABFNAZWSJ-UHFFFAOYSA-N 0 1 254.692 2.530 20 30 CFEDMN C[C@H](CCC#N)N1CCC[C@H](NC(=O)OC(C)(C)C)C1 ZINC000839468497 626537494 /nfs/dbraw/zinc/53/74/94/626537494.db2.gz AMGFYBVNUYUGFX-OLZOCXBDSA-N 0 1 281.400 2.668 20 30 CFEDMN CC(C)(C(=O)Nc1cc(C#N)ccc1O)[C@@H]1CCCCO1 ZINC000867013736 626540019 /nfs/dbraw/zinc/54/00/19/626540019.db2.gz VTIXDTBPBYHBKE-AWEZNQCLSA-N 0 1 288.347 2.798 20 30 CFEDMN CCC[C@H](C#N)NC(=O)C(F)(F)c1c(F)cccc1F ZINC000756961800 626542828 /nfs/dbraw/zinc/54/28/28/626542828.db2.gz KSZCVLGSSUAJHW-MRVPVSSYSA-N 0 1 288.244 2.865 20 30 CFEDMN C#CC[C@H](NCc1cnc2cnccn12)c1ccccc1 ZINC000756995874 626543195 /nfs/dbraw/zinc/54/31/95/626543195.db2.gz KZNPKWAAOZPNFG-INIZCTEOSA-N 0 1 276.343 2.584 20 30 CFEDMN CCn1cc(C(=O)Nc2cc(C#N)ccc2O)c(C2CC2)n1 ZINC000867013926 626546997 /nfs/dbraw/zinc/54/69/97/626546997.db2.gz XMQSERXDXVIBOS-UHFFFAOYSA-N 0 1 296.330 2.610 20 30 CFEDMN C=C(Cl)CN[C@@H](C)[C@@H](Cc1ccccc1)C(=O)OC ZINC000839596185 626547449 /nfs/dbraw/zinc/54/74/49/626547449.db2.gz TVSURKWGVXPEMK-GXTWGEPZSA-N 0 1 281.783 2.749 20 30 CFEDMN C#C[C@@H](NCc1cc(C(=O)OC)ccc1Cl)C(C)C ZINC000809685280 626547517 /nfs/dbraw/zinc/54/75/17/626547517.db2.gz LHWHKGIKYQUSHX-CQSZACIVSA-N 0 1 279.767 2.874 20 30 CFEDMN CC[C@@H]1CC[C@H](C(=O)C(C#N)c2nc(C)cs2)O1 ZINC000757295298 626547677 /nfs/dbraw/zinc/54/76/77/626547677.db2.gz LHHBBMBVXRCOMK-OUAUKWLOSA-N 0 1 264.350 2.585 20 30 CFEDMN C#C[C@@H](NCc1cc([N+](=O)[O-])ccc1OCC)C(C)C ZINC000809685873 626549018 /nfs/dbraw/zinc/54/90/18/626549018.db2.gz WKAXAWCPYVHEQM-CQSZACIVSA-N 0 1 276.336 2.741 20 30 CFEDMN CC(=NNc1cc(C)ncn1)c1cc(F)cc(F)c1O ZINC000757464963 626552753 /nfs/dbraw/zinc/55/27/53/626552753.db2.gz IRYYQTADEOKNHN-UHFFFAOYSA-N 0 1 278.262 2.605 20 30 CFEDMN Cn1nnc2cc(/C=C/C(=O)c3cc(F)ccc3O)ccc21 ZINC000757468352 626552910 /nfs/dbraw/zinc/55/29/10/626552910.db2.gz QNPZKNFJNDLLRQ-ZZXKWVIFSA-N 0 1 297.289 2.709 20 30 CFEDMN Cc1cccc2ncc(/C=C\C(=O)c3ccc(O)cc3O)n21 ZINC000757467155 626552976 /nfs/dbraw/zinc/55/29/76/626552976.db2.gz BFDZKJMEYXHJJX-YVMONPNESA-N 0 1 294.310 2.950 20 30 CFEDMN N#CCOc1cccc(/C=C/C(=O)c2ccc(O)cc2O)c1 ZINC000757472573 626553110 /nfs/dbraw/zinc/55/31/10/626553110.db2.gz OSTZKYPYOJZVSC-QPJJXVBHSA-N 0 1 295.294 2.896 20 30 CFEDMN COC(=O)c1cc(/C=C\C(=O)c2ccc(C)cc2O)c[nH]1 ZINC000757476372 626553187 /nfs/dbraw/zinc/55/31/87/626553187.db2.gz QJOJAPXLJYYGFG-XQRVVYSFSA-N 0 1 285.299 2.711 20 30 CFEDMN CN(CCC#N)c1ccc(CNCC(C)(C)C#N)cc1 ZINC000757906207 626567249 /nfs/dbraw/zinc/56/72/49/626567249.db2.gz LYDNBGQUGCNZCN-UHFFFAOYSA-N 0 1 270.380 2.676 20 30 CFEDMN C[C@@H](CC(=O)N(C)c1ccccc1)NCC(C)(C)C#N ZINC000757907865 626567398 /nfs/dbraw/zinc/56/73/98/626567398.db2.gz XPMPPGXBSTUXTJ-ZDUSSCGKSA-N 0 1 273.380 2.567 20 30 CFEDMN CCC(N=Nc1cccc([N+](=O)[O-])c1)c1ccn(C)n1 ZINC000758067973 626575685 /nfs/dbraw/zinc/57/56/85/626575685.db2.gz LISVDYVTGGDQFU-UHFFFAOYSA-N 0 1 273.296 2.555 20 30 CFEDMN Cc1oc2ccccc2c1C=NNC1=N[C@@H]2CCCC[C@H]2N1 ZINC000758119019 626577314 /nfs/dbraw/zinc/57/73/14/626577314.db2.gz LZVLCCPNFMHKDE-HUUCEWRRSA-N 0 1 296.374 2.935 20 30 CFEDMN Cc1ccn(CN2CCC[C@H]2CC(C)(C)C)c(=O)c1C#N ZINC000758203227 626581771 /nfs/dbraw/zinc/58/17/71/626581771.db2.gz LGUIQGYFWBZOJU-AWEZNQCLSA-N 0 1 287.407 2.887 20 30 CFEDMN Cc1ccn(CNC2(c3ccccc3)CCC2)c(=O)c1C#N ZINC000758202449 626582009 /nfs/dbraw/zinc/58/20/09/626582009.db2.gz HUCKITHEWIVESA-UHFFFAOYSA-N 0 1 293.370 2.655 20 30 CFEDMN Cc1ccn(CN2CC[C@H](C)[C@@H]3CCCC[C@H]32)c(=O)c1C#N ZINC000758205548 626582522 /nfs/dbraw/zinc/58/25/22/626582522.db2.gz MSGIFUGZECEQOC-JLJPHGGASA-N 0 1 299.418 2.887 20 30 CFEDMN CCC[C@@H](C)[C@@H]1CCCN1Cn1ccc(C)c(C#N)c1=O ZINC000758237991 626584814 /nfs/dbraw/zinc/58/48/14/626584814.db2.gz IJZBNKPJZOBVHD-ZBFHGGJFSA-N 0 1 287.407 2.887 20 30 CFEDMN C#CCCCC(=O)N1C[C@H](C)N(Cc2ccccc2)C[C@@H]1C ZINC000758911873 626617081 /nfs/dbraw/zinc/61/70/81/626617081.db2.gz WUXBLDCRPUIZNA-IRXDYDNUSA-N 0 1 298.430 2.911 20 30 CFEDMN CC1(CC(=O)C(C#N)C(=O)Nc2ccccc2)CC1 ZINC000759432501 626657874 /nfs/dbraw/zinc/65/78/74/626657874.db2.gz WLDKZWBNEDISDF-LBPRGKRZSA-N 0 1 256.305 2.524 20 30 CFEDMN C#C[C@H](C)NC(=O)Nc1ccc2nc(C(F)F)[nH]c2c1 ZINC000806368701 626659086 /nfs/dbraw/zinc/65/90/86/626659086.db2.gz GSZRZYHQTLXYME-ZETCQYMHSA-N 0 1 278.262 2.644 20 30 CFEDMN C#CCCCC(=O)[C@@H](C#N)c1nc2cccc(C)c2[nH]1 ZINC000759518884 626666545 /nfs/dbraw/zinc/66/65/45/626666545.db2.gz PJLOKKFJNYVGKF-GFCCVEGCSA-N 0 1 265.316 2.851 20 30 CFEDMN Cc1noc(C(F)F)c1C(=O)Nc1cc(C#N)ccc1O ZINC000759714085 626686202 /nfs/dbraw/zinc/68/62/02/626686202.db2.gz TVYCRFILJDQRFF-UHFFFAOYSA-N 0 1 293.229 2.750 20 30 CFEDMN N#CC(C(=O)Nc1ccccc1)C(=O)[C@H]1CC12CCC2 ZINC000759836481 626694491 /nfs/dbraw/zinc/69/44/91/626694491.db2.gz WXADFPFAIRWDHG-QWHCGFSZSA-N 0 1 268.316 2.524 20 30 CFEDMN CCC#C[C@@H](C)N1CC[C@@H](N(C)C(=O)OC(C)(C)C)C1 ZINC000759857223 626698149 /nfs/dbraw/zinc/69/81/49/626698149.db2.gz SXKXBRXBCGOXJE-ZIAGYGMSSA-N 0 1 280.412 2.730 20 30 CFEDMN CC(C)CC(=NNCCN1CCCCC1)c1ccccn1 ZINC000760244387 626723451 /nfs/dbraw/zinc/72/34/51/626723451.db2.gz XCDVMEGBGPJPRK-UHFFFAOYSA-N 0 1 288.439 2.907 20 30 CFEDMN N#CC(C(=O)C[C@H]1CCc2ccccc2C1)c1ccncn1 ZINC000760336295 626735516 /nfs/dbraw/zinc/73/55/16/626735516.db2.gz XRRWOBPFBWFLQF-BBRMVZONSA-N 0 1 291.354 2.848 20 30 CFEDMN N#C[C@H](C(=O)[C@H]1C[C@]12CCc1ccccc12)c1ccncn1 ZINC000760340829 626736665 /nfs/dbraw/zinc/73/66/65/626736665.db2.gz OGQSPCWSCDNQIB-JOQOYGCGSA-N 0 1 289.338 2.557 20 30 CFEDMN N#C[C@@H](C(=O)Cc1c[nH]c2ccc(F)cc12)c1ccncn1 ZINC000760347279 626737392 /nfs/dbraw/zinc/73/73/92/626737392.db2.gz VGCQHEHMHNZMAN-CYBMUJFWSA-N 0 1 294.289 2.516 20 30 CFEDMN N#CC(C(=O)C=Cc1cccc(F)c1)c1ccncn1 ZINC000760356543 626739372 /nfs/dbraw/zinc/73/93/72/626739372.db2.gz IFMNBTIQFNBPBV-IHVVCDCBSA-N 0 1 267.263 2.505 20 30 CFEDMN C#CCCCC(=O)Nc1nc(-c2cc3ccccc3o2)n[nH]1 ZINC000760914228 626784313 /nfs/dbraw/zinc/78/43/13/626784313.db2.gz XFFSLGUIJCQGRU-UHFFFAOYSA-N 0 1 294.314 2.960 20 30 CFEDMN Cn1cc(N=NCc2ccccc2OCC2CC2)cn1 ZINC000761861011 626865327 /nfs/dbraw/zinc/86/53/27/626865327.db2.gz RYVDKJHCESRNDB-UHFFFAOYSA-N 0 1 270.336 2.655 20 30 CFEDMN C#Cc1ccc(-c2nc(-c3ccc4[nH]cnc4c3)no2)cn1 ZINC000762117322 626893362 /nfs/dbraw/zinc/89/33/62/626893362.db2.gz QVXYQEWZLVEUAE-UHFFFAOYSA-N 0 1 287.282 2.656 20 30 CFEDMN C[C@H]1N(Cc2ccc(OCC#N)cc2)CCOC1(C)C ZINC000763415163 626987238 /nfs/dbraw/zinc/98/72/38/626987238.db2.gz DWJZYKPEPNDENE-CYBMUJFWSA-N 0 1 274.364 2.588 20 30 CFEDMN C#CCN(Cc1cc2c(c(Cl)c1)OCO2)C1CC1 ZINC000763950087 627024939 /nfs/dbraw/zinc/02/49/39/627024939.db2.gz JJQZOFJDHIUWCC-UHFFFAOYSA-N 0 1 263.724 2.666 20 30 CFEDMN C#CCN(C[C@@H](O)COc1ccc2ccccc2c1)C1CC1 ZINC000763956126 627026314 /nfs/dbraw/zinc/02/63/14/627026314.db2.gz KSSZVKMHKXHTAD-GOSISDBHSA-N 0 1 295.382 2.677 20 30 CFEDMN Nc1ncccc1C=[NH+][N-]c1ncccc1C(F)(F)F ZINC000764680421 627083788 /nfs/dbraw/zinc/08/37/88/627083788.db2.gz BTIMCKUUFKVKFK-UHFFFAOYSA-N 0 1 281.241 2.524 20 30 CFEDMN CC(C)N1CC(=NNCCc2ccccc2F)[C@@H](C)C1 ZINC000764722789 627087899 /nfs/dbraw/zinc/08/78/99/627087899.db2.gz LYVDUAJVOLZAHN-ZDUSSCGKSA-N 0 1 277.387 2.674 20 30 CFEDMN C[C@@H]1CC(=NC(=O)c2cccc3c4c([nH]c32)CCCC4)NO1 ZINC000765373729 627133278 /nfs/dbraw/zinc/13/32/78/627133278.db2.gz UIBFMEVHWABWNT-SNVBAGLBSA-N 0 1 297.358 2.899 20 30 CFEDMN C#CCCOC(=O)[C@H]1CCCN(Cc2cccc(F)c2)C1 ZINC000765483802 627141685 /nfs/dbraw/zinc/14/16/85/627141685.db2.gz YSJLUBRGMXKBFW-HNNXBMFYSA-N 0 1 289.350 2.604 20 30 CFEDMN Clc1cccc(CNN=C2CCN3CCC[C@H]23)c1 ZINC000765582312 627148887 /nfs/dbraw/zinc/14/88/87/627148887.db2.gz WNDJQAIPFGDXJR-CQSZACIVSA-N 0 1 263.772 2.654 20 30 CFEDMN CC(C)O[C@@H]1C[C@H](NC[C@@H](C#N)CCC#N)C1(C)C ZINC000766039937 627173652 /nfs/dbraw/zinc/17/36/52/627173652.db2.gz ZLXXCIVDNPPOCU-HZSPNIEDSA-N 0 1 263.385 2.612 20 30 CFEDMN Cc1ccc(C=NNC2=N[C@@H]3CCCC[C@H]3N2)cc1Cl ZINC000766453623 627203947 /nfs/dbraw/zinc/20/39/47/627203947.db2.gz QCTOZFHZCPYGGU-ZIAGYGMSSA-N 0 1 290.798 2.842 20 30 CFEDMN C[C@@H]1CC(N=Nc2ncccn2)CN(Cc2ccccc2)C1 ZINC000767356615 627245191 /nfs/dbraw/zinc/24/51/91/627245191.db2.gz VFIKQFWGXCRTJC-CQSZACIVSA-N 0 1 295.390 2.787 20 30 CFEDMN Cc1cc(C[C@@H](C)NC(=S)Nc2ccccc2C#N)n[nH]1 ZINC000767705704 627277733 /nfs/dbraw/zinc/27/77/33/627277733.db2.gz CNAFZENIVDTQBN-SNVBAGLBSA-N 0 1 299.403 2.507 20 30 CFEDMN O=[N+]([O-])c1ccc(N=NCc2cc(F)c(F)cc2F)nc1 ZINC000767771990 627283903 /nfs/dbraw/zinc/28/39/03/627283903.db2.gz MYBPOSDPTOTWDX-UHFFFAOYSA-N 0 1 296.208 2.853 20 30 CFEDMN Cc1cc(C=Nn2c(=S)[nH]nc2C(F)(F)F)c(C)o1 ZINC000767896920 627292475 /nfs/dbraw/zinc/29/24/75/627292475.db2.gz NCVDHBWAEXHZOC-UHFFFAOYSA-N 0 1 290.270 2.678 20 30 CFEDMN C#C[C@H](CC)OC(=O)c1cc(-c2ccc(C)o2)n[nH]1 ZINC000768058449 627309694 /nfs/dbraw/zinc/30/96/94/627309694.db2.gz HYNLUKRHDFVKOT-SNVBAGLBSA-N 0 1 258.277 2.547 20 30 CFEDMN C[C@H]1CN(Cc2ccc(C#N)cc2C(F)(F)F)CCN1C ZINC000851876837 634568432 /nfs/dbraw/zinc/56/84/32/634568432.db2.gz PLJSTYHBRFJARH-NSHDSACASA-N 0 1 297.324 2.713 20 30 CFEDMN N#Cc1ccc(CCN2CCC[C@@H]2c2ncc[nH]2)cc1 ZINC000851886918 634571998 /nfs/dbraw/zinc/57/19/98/634571998.db2.gz LASZVSGDBLZEAB-OAHLLOKOSA-N 0 1 266.348 2.661 20 30 CFEDMN C[C@@H](C#N)Oc1ccc(CN2CCOC(C)(C)[C@@H]2C)cc1 ZINC000769452282 627440678 /nfs/dbraw/zinc/44/06/78/627440678.db2.gz UZRZJLVCNAOXFE-KBPBESRZSA-N 0 1 288.391 2.977 20 30 CFEDMN C[C@@H](C#N)Oc1ccc(CN(C)Cc2ccc[nH]2)cc1 ZINC000769544121 627454435 /nfs/dbraw/zinc/45/44/35/627454435.db2.gz VGIAXETUBTZXFG-ZDUSSCGKSA-N 0 1 269.348 2.938 20 30 CFEDMN Brc1cc(N=NC2CCn3cccc32)ccn1 ZINC000769813664 627477266 /nfs/dbraw/zinc/47/72/66/627477266.db2.gz MIBNTFXPXQIIKH-UHFFFAOYSA-N 0 1 291.152 2.866 20 30 CFEDMN Fc1cccc(Cl)c1NN=Cc1cnc2cnccn12 ZINC000769827152 627479649 /nfs/dbraw/zinc/47/96/49/627479649.db2.gz PHOOJOHRMDGKEN-UHFFFAOYSA-N 0 1 289.701 2.968 20 30 CFEDMN COC(=O)Cn1cccc1CN=Nc1c(C)cccc1F ZINC000769827775 627479689 /nfs/dbraw/zinc/47/96/89/627479689.db2.gz JVMXVGTVCLXLLE-UHFFFAOYSA-N 0 1 289.310 2.555 20 30 CFEDMN C#C[C@@H](C)N(C)Cc1cc(=O)oc2cc(CC)ccc12 ZINC000769963087 627492580 /nfs/dbraw/zinc/49/25/80/627492580.db2.gz RKSMKIDJUOTGIJ-GFCCVEGCSA-N 0 1 269.344 2.809 20 30 CFEDMN CCN(C)c1ccc(C(C)=NNC[C@@H](C)C#N)cc1 ZINC000771111202 627578500 /nfs/dbraw/zinc/57/85/00/627578500.db2.gz FGLLIBUGANYLKJ-LBPRGKRZSA-N 0 1 258.369 2.616 20 30 CFEDMN N#Cc1ccc(O)c(NC(=O)c2csc(Cl)n2)c1 ZINC000771630598 627619398 /nfs/dbraw/zinc/61/93/98/627619398.db2.gz NFUNJBDDJBOTBL-UHFFFAOYSA-N 0 1 279.708 2.626 20 30 CFEDMN COc1cccc(-c2nc(C)c(C(=O)OC[C@H](C)C#N)[nH]2)c1 ZINC000772681306 627734970 /nfs/dbraw/zinc/73/49/70/627734970.db2.gz RAYLTUNQOWXQJH-SNVBAGLBSA-N 0 1 299.330 2.710 20 30 CFEDMN COc1cccc(-c2nc(C)c(C(=O)OC[C@@H](C)C#N)[nH]2)c1 ZINC000772681305 627735152 /nfs/dbraw/zinc/73/51/52/627735152.db2.gz RAYLTUNQOWXQJH-JTQLQIEISA-N 0 1 299.330 2.710 20 30 CFEDMN COc1ccc(CN[C@@H](C)c2cnc(C)nc2C)cc1C#N ZINC000773076853 627778914 /nfs/dbraw/zinc/77/89/14/627778914.db2.gz PDQKYEPFLNHEBY-NSHDSACASA-N 0 1 296.374 2.825 20 30 CFEDMN CC(C)c1nccnc1N=NCc1ccccc1[N+](=O)[O-] ZINC000773085118 627781121 /nfs/dbraw/zinc/78/11/21/627781121.db2.gz DQFOAURLIQMEEV-UHFFFAOYSA-N 0 1 285.307 2.954 20 30 CFEDMN C#C[C@@H](Cc1ccccc1)OC(=O)c1[nH]nc2c1CCCC2 ZINC000773828029 627861649 /nfs/dbraw/zinc/86/16/49/627861649.db2.gz QFWVDTMVRFFPGS-AWEZNQCLSA-N 0 1 294.354 2.690 20 30 CFEDMN CC1(C)CCC[C@H]1C(=O)C(C#N)C(=O)NCc1ccccc1 ZINC000773974439 627875417 /nfs/dbraw/zinc/87/54/17/627875417.db2.gz HUTKBRYHMXXQQD-CABCVRRESA-N 0 1 298.386 2.838 20 30 CFEDMN Cc1cc(C(C#N)C(=O)[C@@H]2C[C@@]2(C)C(C)C)nc(C)n1 ZINC000773972138 627875523 /nfs/dbraw/zinc/87/55/23/627875523.db2.gz NJUNDGJFTWTLNI-XEZPLFJOSA-N 0 1 271.364 2.952 20 30 CFEDMN CC1(C)CCC[C@H]1C(=O)[C@@H](C#N)C(=O)Nc1ccccn1 ZINC000773990710 627876500 /nfs/dbraw/zinc/87/65/00/627876500.db2.gz WIMQYLWHUIKIMB-NEPJUHHUSA-N 0 1 285.347 2.555 20 30 CFEDMN N#Cc1ccc(O)c(NC(=O)CCCc2nccs2)c1 ZINC000774082158 627885727 /nfs/dbraw/zinc/88/57/27/627885727.db2.gz OUUCVYJYEGKEKO-UHFFFAOYSA-N 0 1 287.344 2.682 20 30 CFEDMN COC(=O)c1coc(/C=C\C(=O)c2cc(F)ccc2O)c1 ZINC000774135745 627892386 /nfs/dbraw/zinc/89/23/86/627892386.db2.gz NIIWLIAIWQUJAJ-HYXAFXHYSA-N 0 1 290.246 2.807 20 30 CFEDMN CC[C@H](C#N)Oc1cccc(CN[C@H](C)c2ccnn2C)c1 ZINC000774246414 627908402 /nfs/dbraw/zinc/90/84/02/627908402.db2.gz ZEHNXTGZNYMVDG-UKRRQHHQSA-N 0 1 298.390 2.952 20 30 CFEDMN Cc1ccc([N-][NH+]=C2CCCNc3ccccc32)nn1 ZINC000774384612 627919763 /nfs/dbraw/zinc/91/97/63/627919763.db2.gz JEXSUTFPMJVMTL-UHFFFAOYSA-N 0 1 267.336 2.807 20 30 CFEDMN CCOCCON=C1CN(Cc2ccccc2)CC[C@H]1C ZINC000774422216 627923935 /nfs/dbraw/zinc/92/39/35/627923935.db2.gz JOYVAYRRKHGIGW-OAHLLOKOSA-N 0 1 290.407 2.938 20 30 CFEDMN c1ccc2c(c1)NCCCC2=NOC1CCOCC1 ZINC000774429269 627924291 /nfs/dbraw/zinc/92/42/91/627924291.db2.gz ATSXUTWFNYERTO-UHFFFAOYSA-N 0 1 260.337 2.792 20 30 CFEDMN CC(=NOC1CCOCC1)c1ccc(N(C)C)cc1 ZINC000774452443 627928209 /nfs/dbraw/zinc/92/82/09/627928209.db2.gz XDGYWWFHEMKIQB-UHFFFAOYSA-N 0 1 262.353 2.672 20 30 CFEDMN CCc1cc(CNc2nc3c(cc2C#N)CCCC3)n[nH]1 ZINC000774529122 627935216 /nfs/dbraw/zinc/93/52/16/627935216.db2.gz KQLQMWGOXWPSGP-UHFFFAOYSA-N 0 1 281.363 2.730 20 30 CFEDMN C[C@@H](NCC(=O)Nc1ccc(O)cc1)c1cccc(C#N)c1 ZINC000775338623 628011619 /nfs/dbraw/zinc/01/16/19/628011619.db2.gz QZQRBBLAFVFBBB-GFCCVEGCSA-N 0 1 295.342 2.553 20 30 CFEDMN C#C[C@H](NCc1cc(C)c(OC)c(C)c1)[C@H]1CCCO1 ZINC000775341408 628012209 /nfs/dbraw/zinc/01/22/09/628012209.db2.gz MHRIUJUNCBLLIB-JKSUJKDBSA-N 0 1 273.376 2.582 20 30 CFEDMN C#C[C@H](NCc1coc2ccccc12)[C@H]1CCCO1 ZINC000775343642 628012647 /nfs/dbraw/zinc/01/26/47/628012647.db2.gz XEFITFCPIIPTMR-GOEBONIOSA-N 0 1 255.317 2.703 20 30 CFEDMN C#C[C@H](NC/C=C/c1ccc(F)cc1)[C@@H]1CCCO1 ZINC000775343863 628013229 /nfs/dbraw/zinc/01/32/29/628013229.db2.gz YXGMNOSXCWWLBD-TVKHYIBRSA-N 0 1 259.324 2.609 20 30 CFEDMN C#C[C@H](NCc1cc(C)c2ncccc2c1)[C@H]1CCCO1 ZINC000775346591 628013924 /nfs/dbraw/zinc/01/39/24/628013924.db2.gz VPWNHUSPRIYNJZ-DLBZAZTESA-N 0 1 280.371 2.814 20 30 CFEDMN C#CCNC(=O)CN[C@@H](C)c1ccc(SC(C)C)cc1 ZINC000775350356 628014175 /nfs/dbraw/zinc/01/41/75/628014175.db2.gz AYGYBYTYGOOYQG-ZDUSSCGKSA-N 0 1 290.432 2.587 20 30 CFEDMN C#C[C@H](N[C@H](CC)c1cccc(OC)c1)[C@H]1CCCO1 ZINC000775573308 628041421 /nfs/dbraw/zinc/04/14/21/628041421.db2.gz GXIXIUBKEYDKCC-IXDOHACOSA-N 0 1 273.376 2.917 20 30 CFEDMN C#C[C@H](N[C@H](C)c1ccc(Cl)nc1)[C@H]1CCCO1 ZINC000775573654 628041626 /nfs/dbraw/zinc/04/16/26/628041626.db2.gz IMFBMPFPHJLKQZ-KGYLQXTDSA-N 0 1 264.756 2.566 20 30 CFEDMN C#C[C@H](N[C@H]1CCCc2cc(F)ccc21)[C@@H]1CCCO1 ZINC000775573637 628041709 /nfs/dbraw/zinc/04/17/09/628041709.db2.gz IKILKJOLJLPSMD-ULQDDVLXSA-N 0 1 273.351 2.974 20 30 CFEDMN C#C[C@H](N[C@H](C)c1ccc(F)c(OC)c1)[C@@H]1CCCO1 ZINC000775574190 628042010 /nfs/dbraw/zinc/04/20/10/628042010.db2.gz OHEIYCMKFRHVRQ-UGFHNGPFSA-N 0 1 277.339 2.666 20 30 CFEDMN C#C[C@H]([NH2+][C@H](C)c1cc(Cl)ccc1[O-])[C@@H]1CCCO1 ZINC000775574841 628042380 /nfs/dbraw/zinc/04/23/80/628042380.db2.gz SKJDVRGKABGXLI-DGFSRKRXSA-N 0 1 279.767 2.877 20 30 CFEDMN C#C[C@H](N[C@@H](C)c1ccc(C)c([N+](=O)[O-])c1)[C@H]1CCCO1 ZINC000775575794 628042568 /nfs/dbraw/zinc/04/25/68/628042568.db2.gz YTOPCLJAFOKSRD-DUVNUKRYSA-N 0 1 288.347 2.735 20 30 CFEDMN C[C@H](C#N)CN(C)Cc1cc(Cl)cc(F)c1O ZINC000775655890 628049932 /nfs/dbraw/zinc/04/99/32/628049932.db2.gz MHXHWEZXHXNPEB-MRVPVSSYSA-N 0 1 256.708 2.776 20 30 CFEDMN C#CCN(CC#CC)C[C@@H](C)c1ccc(OC)cc1 ZINC000775707378 628057953 /nfs/dbraw/zinc/05/79/53/628057953.db2.gz HDFUTRIFEXZTIH-OAHLLOKOSA-N 0 1 255.361 2.757 20 30 CFEDMN C#C[C@H](NCCOc1ccc(SC)cc1)[C@@H]1CCCO1 ZINC000775797123 628069734 /nfs/dbraw/zinc/06/97/34/628069734.db2.gz APLSQLSSKPTKBH-HOTGVXAUSA-N 0 1 291.416 2.558 20 30 CFEDMN C=CCNC(=O)C(C#N)C(=O)[C@H](CC)CCCCC ZINC000776076376 628099398 /nfs/dbraw/zinc/09/93/98/628099398.db2.gz FWFPTOINOBEBRQ-OLZOCXBDSA-N 0 1 264.369 2.604 20 30 CFEDMN CCn1cc(C(C)N=Nc2ccccc2C(=O)OC)cn1 ZINC000776190174 628114436 /nfs/dbraw/zinc/11/44/36/628114436.db2.gz ZAZDKYKBJWPWFK-UHFFFAOYSA-N 0 1 286.335 2.526 20 30 CFEDMN COC(=O)c1ccccc1N=NC(C)c1ccco1 ZINC000776189502 628114501 /nfs/dbraw/zinc/11/45/01/628114501.db2.gz KNOAKUIJJQVLSJ-UHFFFAOYSA-N 0 1 258.277 2.902 20 30 CFEDMN N#C[C@H](OC(=O)c1[nH]nc2c1CCC2)C1CCCCC1 ZINC000776375705 628138261 /nfs/dbraw/zinc/13/82/61/628138261.db2.gz LOGIUNKGYHXPGM-ZDUSSCGKSA-N 0 1 273.336 2.528 20 30 CFEDMN C[C@@H]1CC[C@H](C(=O)C(C#N)C(=O)NC2CCCCC2)C1 ZINC000776514590 628154889 /nfs/dbraw/zinc/15/48/89/628154889.db2.gz FIZXZOHDTRPKLS-DYEKYZERSA-N 0 1 276.380 2.580 20 30 CFEDMN Cc1cc2ccccc2nc1N=NC1CN(C)C[C@@H]1C ZINC000776786638 628177905 /nfs/dbraw/zinc/17/79/05/628177905.db2.gz ZIUORBSIVMWVJY-LBPRGKRZSA-N 0 1 268.364 2.893 20 30 CFEDMN C=CCSc1ccccc1C(=O)OCc1n[nH]c(C)n1 ZINC000777337770 628216314 /nfs/dbraw/zinc/21/63/14/628216314.db2.gz VDJQPJIITGVGLI-UHFFFAOYSA-N 0 1 289.360 2.748 20 30 CFEDMN C[C@H]1CC(=NC(=O)c2cc3ccccc3c(Cl)n2)NO1 ZINC000777435135 628225456 /nfs/dbraw/zinc/22/54/56/628225456.db2.gz CSJCRVVFZFBECE-QMMMGPOBSA-N 0 1 289.722 2.740 20 30 CFEDMN Cc1ccc(N=NCc2cccc(Br)n2)nc1 ZINC000777886837 628261024 /nfs/dbraw/zinc/26/10/24/628261024.db2.gz UACSNRACGBXNHF-UHFFFAOYSA-N 0 1 291.152 2.994 20 30 CFEDMN C[C@@H](NCc1ccc(F)nc1)c1ccc(C#N)cc1 ZINC000778155552 628281033 /nfs/dbraw/zinc/28/10/33/628281033.db2.gz CZTOXTPVQBJQMU-LLVKDONJSA-N 0 1 255.296 2.943 20 30 CFEDMN CC(C)(C(=O)OCc1ccc(F)cc1C#N)N1CCCC1 ZINC000805609689 628310631 /nfs/dbraw/zinc/31/06/31/628310631.db2.gz UCKJDERREDZRDC-UHFFFAOYSA-N 0 1 290.338 2.615 20 30 CFEDMN CCC(=NNC1=N[C@@H]2CCCC[C@@H]2N1)c1ccccc1F ZINC000778543990 628313576 /nfs/dbraw/zinc/31/35/76/628313576.db2.gz HACVBQYGVWFISD-GASCZTMLSA-N 0 1 288.370 2.800 20 30 CFEDMN Nc1nc(Cl)cc(N=NCc2cc3ccccc3o2)n1 ZINC000778542997 628313644 /nfs/dbraw/zinc/31/36/44/628313644.db2.gz GCYGSXHMJIBRBR-UHFFFAOYSA-N 0 1 287.710 2.904 20 30 CFEDMN Nc1nc(Cl)cc(NN=Cc2ccnc3ccccc23)n1 ZINC000778545527 628314355 /nfs/dbraw/zinc/31/43/55/628314355.db2.gz VTJGYLCBYYIAAQ-UHFFFAOYSA-N 0 1 298.737 2.706 20 30 CFEDMN C=CC[C@@H](C(=O)NOCC(F)(F)F)c1ccccc1 ZINC000778999614 628344209 /nfs/dbraw/zinc/34/42/09/628344209.db2.gz NUFRNMWKDNHFHS-LLVKDONJSA-N 0 1 273.254 2.956 20 30 CFEDMN C=C(C)CN(C)Cc1cccc(Br)n1 ZINC000779443851 628382468 /nfs/dbraw/zinc/38/24/68/628382468.db2.gz PYJZPMWUUPBWGY-UHFFFAOYSA-N 0 1 255.159 2.852 20 30 CFEDMN C#C[C@@](C)(CC)N[C@@H](C)C(=O)Nc1cc(F)ccc1F ZINC000852099009 634653087 /nfs/dbraw/zinc/65/30/87/634653087.db2.gz BDZFOXWNDRXSDZ-BONVTDFDSA-N 0 1 280.318 2.683 20 30 CFEDMN C[C@@H]1CN=C(NN=C(CC(C)(C)C)c2ccc(F)cc2)N1 ZINC000779788208 628404981 /nfs/dbraw/zinc/40/49/81/628404981.db2.gz XDRQIUJOQUHWGS-LLVKDONJSA-N 0 1 290.386 2.903 20 30 CFEDMN CC(C)c1ccc2c(c1)C(=NNC1=NC[C@@H](C)N1)CCC2 ZINC000779794693 628407074 /nfs/dbraw/zinc/40/70/74/628407074.db2.gz LLLTZWFGJJUBCT-GFCCVEGCSA-N 0 1 284.407 2.788 20 30 CFEDMN C#C[C@](C)(CC)N[C@H](C)C(=O)N(CCC#N)c1ccccc1 ZINC000852100033 634654358 /nfs/dbraw/zinc/65/43/58/634654358.db2.gz FOGDXBFUTVRVAZ-CRAIPNDOSA-N 0 1 297.402 2.713 20 30 CFEDMN COc1cccc(NN=Cc2c[nH]nc2-c2ccsc2)n1 ZINC000780243171 628443590 /nfs/dbraw/zinc/44/35/90/628443590.db2.gz NKPISSDSEWOGBY-UHFFFAOYSA-N 0 1 299.359 2.988 20 30 CFEDMN COc1ccc(NN=Cc2cccc(Cl)c2O)nc1 ZINC000780268202 628448612 /nfs/dbraw/zinc/44/86/12/628448612.db2.gz GBSIWPMSBAQUOG-UHFFFAOYSA-N 0 1 277.711 2.895 20 30 CFEDMN C#C[C@@](C)(CC)N[C@@H]1CCCN(c2ccccc2)C1=O ZINC000852101704 634656230 /nfs/dbraw/zinc/65/62/30/634656230.db2.gz HANKHIWAYOINJN-WBVHZDCISA-N 0 1 270.376 2.574 20 30 CFEDMN COc1ccc(NN=Cc2nc(-c3ccccc3)no2)nc1 ZINC000780277475 628449704 /nfs/dbraw/zinc/44/97/04/628449704.db2.gz YSWPYBJAZZKYMM-UHFFFAOYSA-N 0 1 295.302 2.586 20 30 CFEDMN C#C[C@](C)(CC)N[C@@H](C)C(=O)Nc1cc(C)ccc1OC ZINC000852101995 634656344 /nfs/dbraw/zinc/65/63/44/634656344.db2.gz VHTVFUAXFWTSGR-SUMWQHHRSA-N 0 1 288.391 2.722 20 30 CFEDMN C#C[C@](C)(CC)NCC(=O)Nc1cc(Cl)ccc1C#N ZINC000852102490 634656631 /nfs/dbraw/zinc/65/66/31/634656631.db2.gz YLLYOCPUZBQHQR-OAHLLOKOSA-N 0 1 289.766 2.542 20 30 CFEDMN C#C[C@](C)(CC)NCC(=O)Nc1c(C)cccc1C ZINC000852102003 634656647 /nfs/dbraw/zinc/65/66/47/634656647.db2.gz VLTLIXOFVXUEAJ-MRXNPFEDSA-N 0 1 258.365 2.633 20 30 CFEDMN C#CCN(CC)C(=O)c1cc(-c2ccc(C)c(C)c2)[nH]n1 ZINC000780454631 628466214 /nfs/dbraw/zinc/46/62/14/628466214.db2.gz FXBCFUSLBBJPSS-UHFFFAOYSA-N 0 1 281.359 2.789 20 30 CFEDMN Cc1cnc(C(=O)Nc2cc(C#N)ccc2O)c(C)c1 ZINC000780604316 628481959 /nfs/dbraw/zinc/48/19/59/628481959.db2.gz KMSBACHPCKCHMS-UHFFFAOYSA-N 0 1 267.288 2.528 20 30 CFEDMN C#CCC[N@@H+]1CCCN(c2cccc(F)c2F)CC1 ZINC000852111306 634661672 /nfs/dbraw/zinc/66/16/72/634661672.db2.gz YNTIHPSSIIIYCI-UHFFFAOYSA-N 0 1 264.319 2.500 20 30 CFEDMN COc1cc(C)c(CN=Nc2ccc(F)cn2)c(C)n1 ZINC000781593700 628563133 /nfs/dbraw/zinc/56/31/33/628563133.db2.gz XQHAHNYBKNOVNN-UHFFFAOYSA-N 0 1 274.299 2.687 20 30 CFEDMN Cc1cccnc1C=NNc1ccc(Br)cn1 ZINC000781591726 628563199 /nfs/dbraw/zinc/56/31/99/628563199.db2.gz OLHHLXNRNXTGIV-UHFFFAOYSA-N 0 1 291.152 2.994 20 30 CFEDMN CC1(C)CC[C@@H](C(=O)C(C#N)C(=O)NC2CCCC2)C1 ZINC000781768275 628579324 /nfs/dbraw/zinc/57/93/24/628579324.db2.gz DLINLJHBKJNTDI-YPMHNXCESA-N 0 1 276.380 2.580 20 30 CFEDMN CC[C@H]1C[C@@H](CC(=O)Nc2cc(C#N)ccc2O)CCO1 ZINC000782023575 628598049 /nfs/dbraw/zinc/59/80/49/628598049.db2.gz IBEFCIAGXHOXIJ-AAEUAGOBSA-N 0 1 288.347 2.798 20 30 CFEDMN N#CCC1CC[NH+](Cc2cc(=O)oc3cc([O-])ccc23)CC1 ZINC000782089697 628603740 /nfs/dbraw/zinc/60/37/40/628603740.db2.gz VKHMJZQPBOUBDF-UHFFFAOYSA-N 0 1 298.342 2.624 20 30 CFEDMN Cc1ccc(NN=Cc2cc(Cl)cs2)nn1 ZINC000782229865 628617305 /nfs/dbraw/zinc/61/73/05/628617305.db2.gz GSGHGVIKBIYLPU-UHFFFAOYSA-N 0 1 252.730 2.946 20 30 CFEDMN CN(C)c1nccc(N=NCc2cc(Cl)cs2)n1 ZINC000782229712 628617317 /nfs/dbraw/zinc/61/73/17/628617317.db2.gz AWXYJVLQVRKSMN-UHFFFAOYSA-N 0 1 281.772 2.704 20 30 CFEDMN COc1ccc(N=NC2CN3CCC2CC3)cc1Cl ZINC000782231113 628617809 /nfs/dbraw/zinc/61/78/09/628617809.db2.gz SBNJUCWYTHYNAX-UHFFFAOYSA-N 0 1 279.771 2.842 20 30 CFEDMN C#CCCN1CCN(Cc2cc(F)ccc2Cl)CC1 ZINC000782523447 628642560 /nfs/dbraw/zinc/64/25/60/628642560.db2.gz WYFLLPSHQVFSJO-UHFFFAOYSA-N 0 1 280.774 2.620 20 30 CFEDMN COc1ccc(O)c([C@@H](C)NCc2ccc(C#N)cn2)c1 ZINC000783300169 628698959 /nfs/dbraw/zinc/69/89/59/628698959.db2.gz JLNUEXYKPTXMIP-LLVKDONJSA-N 0 1 283.331 2.518 20 30 CFEDMN C[C@H](NCc1ccc(C#N)cn1)c1ccc(OCC#N)cc1 ZINC000783300093 628698975 /nfs/dbraw/zinc/69/89/75/628698975.db2.gz IDPBIVGOSWBQLA-ZDUSSCGKSA-N 0 1 292.342 2.706 20 30 CFEDMN Fc1cc(Cl)ccc1C=NNC1=N[C@@H]2CCCC[C@H]2N1 ZINC000783522625 628716354 /nfs/dbraw/zinc/71/63/54/628716354.db2.gz WARWOLYICMSVLA-CHWSQXEVSA-N 0 1 294.761 2.673 20 30 CFEDMN CC[C@H](C)CCCCC(=O)C(C#N)C(=O)N1CCCC1 ZINC000784834670 628844650 /nfs/dbraw/zinc/84/46/50/628844650.db2.gz MOYJNTIBZHUSAA-KBPBESRZSA-N 0 1 278.396 2.924 20 30 CFEDMN COc1cccc(NC(=O)c2ccc(C#N)c(O)c2)c1F ZINC000785420767 628881384 /nfs/dbraw/zinc/88/13/84/628881384.db2.gz CHHRILFXOLDUSB-UHFFFAOYSA-N 0 1 286.262 2.664 20 30 CFEDMN Cc1cccc2nc([C@@H](C#N)C(=O)CC(C)(C)C#N)[nH]c21 ZINC000786421845 628955515 /nfs/dbraw/zinc/95/55/15/628955515.db2.gz GUOXQFDBUMKUKL-NSHDSACASA-N 0 1 280.331 2.987 20 30 CFEDMN C[C@@H]1C[C@H]1C(=O)C(C#N)C(=O)Nc1ccccc1Cl ZINC000786446977 628957415 /nfs/dbraw/zinc/95/74/15/628957415.db2.gz GQGQXJNCADHEHA-BBBLOLIVSA-N 0 1 276.723 2.643 20 30 CFEDMN CC=C(C)C(=O)[C@@H](C#N)C(=O)NCc1cccc(Cl)c1 ZINC000786535968 628966588 /nfs/dbraw/zinc/96/65/88/628966588.db2.gz WVTJGTSLJGCJBN-NUQDLXRASA-N 0 1 290.750 2.631 20 30 CFEDMN Cc1cccc(CNC(=O)C(C#N)C(=O)C[C@@H](C)C2CC2)c1 ZINC000786538868 628967167 /nfs/dbraw/zinc/96/71/67/628967167.db2.gz BPEYESRDVWFTEQ-CZUORRHYSA-N 0 1 298.386 2.756 20 30 CFEDMN Cc1cccc(CNC(=O)C(C#N)C(=O)[C@@H]2CC23CCC3)c1 ZINC000786543055 628967943 /nfs/dbraw/zinc/96/79/43/628967943.db2.gz RFZZMJFHJPKEDD-CABCVRRESA-N 0 1 296.370 2.510 20 30 CFEDMN CC(=NNC1=N[C@@H]2CCCC[C@@H]2N1)c1csc(Cl)c1 ZINC000787163486 628997212 /nfs/dbraw/zinc/99/72/12/628997212.db2.gz ROZUSNJXBCMSFQ-PHIMTYICSA-N 0 1 296.827 2.986 20 30 CFEDMN C=C[C@H]1CCCCN1C(=O)c1n[nH]c(C)c1Br ZINC000787681672 629025621 /nfs/dbraw/zinc/02/56/21/629025621.db2.gz QKQSBAQDZSSMJE-VIFPVBQESA-N 0 1 298.184 2.661 20 30 CFEDMN C(=NNCCc1ccncc1)c1cc(-c2ccccc2)[nH]n1 ZINC000789086332 629124637 /nfs/dbraw/zinc/12/46/37/629124637.db2.gz TWRVOEJEWKFZJK-UHFFFAOYSA-N 0 1 291.358 2.638 20 30 CFEDMN CCOC1CC(C(=O)[C@@H](C#N)c2nc3cccc(C)c3[nH]2)C1 ZINC000805884441 629141289 /nfs/dbraw/zinc/14/12/89/629141289.db2.gz PGXWEGODHRDMMZ-WXRRBKDZSA-N 0 1 297.358 2.863 20 30 CFEDMN N#CC(C(=O)[C@H]1CC(=O)c2ccccc21)c1ccccn1 ZINC000789345551 629149374 /nfs/dbraw/zinc/14/93/74/629149374.db2.gz SSCRBWDJDPJFPD-UONOGXRCSA-N 0 1 276.295 2.628 20 30 CFEDMN Cc1ccc2ncc(CN=Nc3ncccc3C)n2c1 ZINC000790184784 629216926 /nfs/dbraw/zinc/21/69/26/629216926.db2.gz BQSZLLXDVCCINX-UHFFFAOYSA-N 0 1 265.320 2.792 20 30 CFEDMN CC(=NNc1ncccc1C)c1ccc2[nH]c(=O)[nH]c2c1 ZINC000790191111 629218144 /nfs/dbraw/zinc/21/81/44/629218144.db2.gz RTJFDTOTNQVRSW-UHFFFAOYSA-N 0 1 281.319 2.808 20 30 CFEDMN C(=NNc1ccccn1)c1ccnn1-c1ccccc1 ZINC000790291109 629226234 /nfs/dbraw/zinc/22/62/34/629226234.db2.gz RSXNXLNWIQDTSE-UHFFFAOYSA-N 0 1 263.304 2.713 20 30 CFEDMN COc1ccc(NN=C(C)c2cc(C)on2)c([N+](=O)[O-])c1 ZINC000790296951 629226324 /nfs/dbraw/zinc/22/63/24/629226324.db2.gz GEAWZXKCBRUROV-UHFFFAOYSA-N 0 1 290.279 2.736 20 30 CFEDMN Cn1cc[nH+]c1[N-]N=Cc1ccc(Cl)cc1F ZINC000790300049 629227423 /nfs/dbraw/zinc/22/74/23/629227423.db2.gz OMXKQBONYRGUJN-UHFFFAOYSA-N 0 1 252.680 2.659 20 30 CFEDMN CC(=NNc1nccn1C)c1cccc(OC(F)F)c1 ZINC000790299699 629227768 /nfs/dbraw/zinc/22/77/68/629227768.db2.gz HNLDIGIHGOLSEK-UHFFFAOYSA-N 0 1 280.278 2.858 20 30 CFEDMN N#Cc1ccc(COC(=O)[C@H]2CCCc3[nH]ncc32)cc1F ZINC000791417893 629312042 /nfs/dbraw/zinc/31/20/42/629312042.db2.gz NSKRRLWSGWKNIL-LBPRGKRZSA-N 0 1 299.305 2.584 20 30 CFEDMN C=CCCCCCCCNC(=O)N(C)CC1CN(C)C1 ZINC000852344186 634727919 /nfs/dbraw/zinc/72/79/19/634727919.db2.gz NQSIXVQSAMXEDQ-UHFFFAOYSA-N 0 1 281.444 2.716 20 30 CFEDMN C#C[C@@H](CCC)NC(=O)c1cccc(Br)c1O ZINC000791742169 629350802 /nfs/dbraw/zinc/35/08/02/629350802.db2.gz TVLIOTMQHKXKFK-VIFPVBQESA-N 0 1 296.164 2.686 20 30 CFEDMN Cc1cc(C(C#N)C(=O)[C@@H]2C[C@H]2CC(C)C)nc(C)n1 ZINC000835058699 629361756 /nfs/dbraw/zinc/36/17/56/629361756.db2.gz BAQSQRJVWWHUEN-MGPQQGTHSA-N 0 1 271.364 2.952 20 30 CFEDMN CC[C@@H]1CCC[C@@H]1C(=O)[C@H](C#N)C(=O)NC1CCCC1 ZINC000835074550 629371591 /nfs/dbraw/zinc/37/15/91/629371591.db2.gz SSZWXPHBIUTRMI-XBFCOCLRSA-N 0 1 276.380 2.580 20 30 CFEDMN N#C[C@@H](C(=O)[C@@H]1CC12CCC2)c1cnc2ccccc2n1 ZINC000792108764 629397884 /nfs/dbraw/zinc/39/78/84/629397884.db2.gz LCSJUXDRJSGGMF-NEPJUHHUSA-N 0 1 277.327 2.996 20 30 CFEDMN N#C[C@H](C(=O)CC1CC1)c1cnc2ccccc2n1 ZINC000792104037 629398172 /nfs/dbraw/zinc/39/81/72/629398172.db2.gz NLCJSFQLQPCIIZ-NSHDSACASA-N 0 1 251.289 2.606 20 30 CFEDMN N#C[C@H](C(=O)CC[C@H]1CCCO1)c1cnc2ccccc2n1 ZINC000792111528 629398709 /nfs/dbraw/zinc/39/87/09/629398709.db2.gz TWYLPIDBHHEXFJ-OLZOCXBDSA-N 0 1 295.342 2.765 20 30 CFEDMN C#Cc1ccc(C=NNc2ccc(OC)cn2)cc1 ZINC000792641071 629441312 /nfs/dbraw/zinc/44/13/12/629441312.db2.gz HKBYWUJKLSXSLY-UHFFFAOYSA-N 0 1 251.289 2.518 20 30 CFEDMN C=C(C)CCOC(=O)c1cccc(-c2nnc[nH]2)c1 ZINC000793159926 629494337 /nfs/dbraw/zinc/49/43/37/629494337.db2.gz DTYXOQTZEJCQJJ-UHFFFAOYSA-N 0 1 257.293 2.595 20 30 CFEDMN COC(=O)c1cc(CN=Nc2cccc(Cl)n2)oc1C ZINC000793162178 629495027 /nfs/dbraw/zinc/49/50/27/629495027.db2.gz RTLZCBRAQSEIMU-UHFFFAOYSA-N 0 1 293.710 2.869 20 30 CFEDMN C#CC[C@@H](OC(=O)c1ccc2cncn2c1)C(C)C ZINC000793165132 629495654 /nfs/dbraw/zinc/49/56/54/629495654.db2.gz TYAHHNSNDOBJSZ-CQSZACIVSA-N 0 1 256.305 2.539 20 30 CFEDMN C=C(C)[C@@H](C)OC(=O)c1cccc(-c2nnc[nH]2)c1 ZINC000793204447 629504258 /nfs/dbraw/zinc/50/42/58/629504258.db2.gz LDYLXSAAPRVNSI-SNVBAGLBSA-N 0 1 257.293 2.593 20 30 CFEDMN C#CCOc1ccc(CN2C[C@@H](C)O[C@@H](C3CC3)C2)cc1 ZINC000793215767 629506683 /nfs/dbraw/zinc/50/66/83/629506683.db2.gz WLOCZOXHHONBBM-RDTXWAMCSA-N 0 1 285.387 2.698 20 30 CFEDMN N#CC1CCC(COC(=O)c2ccc3cncn3c2)CC1 ZINC000793281214 629519738 /nfs/dbraw/zinc/51/97/38/629519738.db2.gz JCUUEOJOGZMIGO-UHFFFAOYSA-N 0 1 283.331 2.821 20 30 CFEDMN CC(C)N(CC1CC1)Cn1cc2c(c(C#N)c1=O)CCCC2 ZINC000793481995 629555216 /nfs/dbraw/zinc/55/52/16/629555216.db2.gz DVRGQCNLWGWNKP-UHFFFAOYSA-N 0 1 299.418 2.677 20 30 CFEDMN CC[C@@H](C)CC[C@H](O)CC(=O)Nc1cc(C#N)ccc1O ZINC000793736103 629589485 /nfs/dbraw/zinc/58/94/85/629589485.db2.gz VCQLMALGVUGMEV-YPMHNXCESA-N 0 1 290.363 2.780 20 30 CFEDMN CO[C@@H]1CCC[C@H](CC(=O)Nc2cc(C#N)ccc2O)C1 ZINC000793734472 629589634 /nfs/dbraw/zinc/58/96/34/629589634.db2.gz BQAQQYUGNVJSEJ-WCQYABFASA-N 0 1 288.347 2.798 20 30 CFEDMN CCc1onc(-c2ccccc2)c1C(=O)NC1=NO[C@H](C)C1 ZINC000793740162 629590682 /nfs/dbraw/zinc/59/06/82/629590682.db2.gz UDHDTHRBSKAAQO-SNVBAGLBSA-N 0 1 299.330 2.756 20 30 CFEDMN Oc1ccc(F)c(CN=Nc2ccc(Cl)nn2)c1F ZINC000794455501 629647942 /nfs/dbraw/zinc/64/79/42/629647942.db2.gz HXGYZLIMXYALID-UHFFFAOYSA-N 0 1 284.653 2.560 20 30 CFEDMN C#C[C@H](NC[C@@H](OC(C)C)c1ccccc1)[C@@H]1CCCO1 ZINC000794498645 629651109 /nfs/dbraw/zinc/65/11/09/629651109.db2.gz MMOCWLITHKTZEJ-OKZBNKHCSA-N 0 1 287.403 2.923 20 30 CFEDMN Cn1cc(N=NCc2ccc(C(F)F)cc2)cn1 ZINC000794538726 629656704 /nfs/dbraw/zinc/65/67/04/629656704.db2.gz VQZHDMIVSSESMQ-UHFFFAOYSA-N 0 1 250.252 2.804 20 30 CFEDMN C#CCOCCN1CCc2nc(-c3ccccc3)sc2C1 ZINC000852477302 634754567 /nfs/dbraw/zinc/75/45/67/634754567.db2.gz QREYADACDNPUBJ-UHFFFAOYSA-N 0 1 298.411 2.818 20 30 CFEDMN COCC#CCN[C@H](c1ccccc1)[C@@H](O)c1ccccc1 ZINC000794687607 629675385 /nfs/dbraw/zinc/67/53/85/629675385.db2.gz DUFDGUTXRZHRJP-MOPGFXCFSA-N 0 1 295.382 2.701 20 30 CFEDMN O=C(/C=C\c1cc(O)ccc1[N+](=O)[O-])c1ccnc(F)c1 ZINC000794721110 629679257 /nfs/dbraw/zinc/67/92/57/629679257.db2.gz IGTUOOGYZHSFPE-RJRFIUFISA-N 0 1 288.234 2.731 20 30 CFEDMN Cc1cnn(C)c1C=NNc1nc2ccccc2s1 ZINC000794856197 629696228 /nfs/dbraw/zinc/69/62/28/629696228.db2.gz GEJNVSIZCMSZFH-UHFFFAOYSA-N 0 1 271.349 2.784 20 30 CFEDMN CC(=NNc1ccc(C)cn1)c1cccc(N2CCC2=O)c1 ZINC000794901217 629701604 /nfs/dbraw/zinc/70/16/04/629701604.db2.gz BPNXWWOMZKRIHI-UHFFFAOYSA-N 0 1 294.358 2.963 20 30 CFEDMN Cn1cc(CN=Nc2cncnc2)c(C2CCCCC2)n1 ZINC000794976669 629714212 /nfs/dbraw/zinc/71/42/12/629714212.db2.gz PUGNWYBBKBXLTL-UHFFFAOYSA-N 0 1 284.367 2.704 20 30 CFEDMN Fc1cc(CN=Nc2cncnc2)ccc1OC(F)F ZINC000794976464 629714295 /nfs/dbraw/zinc/71/42/95/629714295.db2.gz KPJNQIPQLLONQC-UHFFFAOYSA-N 0 1 282.225 2.663 20 30 CFEDMN CC(C)Oc1ccc(C=NNc2cncnc2)cc1 ZINC000794978520 629714872 /nfs/dbraw/zinc/71/48/72/629714872.db2.gz OCFHVPOIJDMDKS-UHFFFAOYSA-N 0 1 256.309 2.710 20 30 CFEDMN C[C@@H]1CCN(Cc2ccccc2)CC1N=Nc1cncnc1 ZINC000794978900 629714940 /nfs/dbraw/zinc/71/49/40/629714940.db2.gz PMILUUUKZDAUBN-CQSZACIVSA-N 0 1 295.390 2.787 20 30 CFEDMN COc1ccc2nc(C=NNc3cncnc3)sc2c1 ZINC000794978158 629714962 /nfs/dbraw/zinc/71/49/62/629714962.db2.gz BJAYGJXSOJRKJO-UHFFFAOYSA-N 0 1 285.332 2.541 20 30 CFEDMN FC(F)Oc1ccccc1C=NNc1cncnc1 ZINC000794979423 629716038 /nfs/dbraw/zinc/71/60/38/629716038.db2.gz ZFIDHXNMNZQGCG-UHFFFAOYSA-N 0 1 264.235 2.524 20 30 CFEDMN C=CCNN=C(C)c1cc(Br)c(F)cc1O ZINC000794993476 629718863 /nfs/dbraw/zinc/71/88/63/629718863.db2.gz XVAKXOSIYVXLOU-UHFFFAOYSA-N 0 1 287.132 2.793 20 30 CFEDMN Cc1nn(-c2ccncc2)cc1CN=Nc1cccc(F)n1 ZINC000795006118 629721931 /nfs/dbraw/zinc/72/19/31/629721931.db2.gz DKKZMUKGQVAWOD-UHFFFAOYSA-N 0 1 296.309 2.556 20 30 CFEDMN COc1cc(CN=Nc2cccc(F)n2)ccc1[N+](=O)[O-] ZINC000795005955 629722272 /nfs/dbraw/zinc/72/22/72/629722272.db2.gz HDMMNNLXEZLOQO-UHFFFAOYSA-N 0 1 290.254 2.584 20 30 CFEDMN CC(N=Nc1cccc(F)n1)c1ccccc1[N+](=O)[O-] ZINC000795006859 629722442 /nfs/dbraw/zinc/72/24/42/629722442.db2.gz NSTMAHCPZAFWLT-UHFFFAOYSA-N 0 1 274.255 2.965 20 30 CFEDMN Fc1cccc(N=NCc2cccc(F)c2F)n1 ZINC000795006437 629722887 /nfs/dbraw/zinc/72/28/87/629722887.db2.gz IDEFDKXKICFAAN-UHFFFAOYSA-N 0 1 251.211 2.945 20 30 CFEDMN Cc1nc(C)c(CN=Nc2cccc(F)n2)s1 ZINC000795007676 629723265 /nfs/dbraw/zinc/72/32/65/629723265.db2.gz LPBBEQAKXLHTBA-UHFFFAOYSA-N 0 1 250.302 2.740 20 30 CFEDMN Cc1cc(N)ccc1C(C)N=Nc1cccc(F)n1 ZINC000795008816 629723328 /nfs/dbraw/zinc/72/33/28/629723328.db2.gz OBRLDDVEETZEON-UHFFFAOYSA-N 0 1 258.300 2.947 20 30 CFEDMN Fc1cccc(NN=Cc2cnn(-c3ccccc3)c2)n1 ZINC000795008188 629723378 /nfs/dbraw/zinc/72/33/78/629723378.db2.gz XWNJIHLREYJMRJ-UHFFFAOYSA-N 0 1 281.294 2.852 20 30 CFEDMN Cc1ccc(CN=Nc2cccc(F)n2)cc1[N+](=O)[O-] ZINC000795010026 629724033 /nfs/dbraw/zinc/72/40/33/629724033.db2.gz TZJVKBDFHNSAOZ-UHFFFAOYSA-N 0 1 274.255 2.883 20 30 CFEDMN COCCCON=C1CN(Cc2ccccc2)C[C@@H]1C ZINC000795048124 629729466 /nfs/dbraw/zinc/72/94/66/629729466.db2.gz HTHHDEOUFABNRF-AWEZNQCLSA-N 0 1 276.380 2.547 20 30 CFEDMN CCCCCCCN1CCC(CS(C)(=O)=O)CC1 ZINC000795252323 629752751 /nfs/dbraw/zinc/75/27/51/629752751.db2.gz HWBFFMFKPDDALF-UHFFFAOYSA-N 0 1 275.458 2.713 20 30 CFEDMN C=CCNCc1c(C)nn(-c2ccccn2)c1Cl ZINC000796259552 629897232 /nfs/dbraw/zinc/89/72/32/629897232.db2.gz VQCGSLVWDDRYGV-UHFFFAOYSA-N 0 1 262.744 2.505 20 30 CFEDMN CCCCCCCN1CCOC[C@H]1[C@H]1CCCO1 ZINC000796341123 629905972 /nfs/dbraw/zinc/90/59/72/629905972.db2.gz OWNSVFYDOHVBCP-LSDHHAIUSA-N 0 1 255.402 2.837 20 30 CFEDMN C=CCN1CCCC[C@H]1COC(=O)N1CCC(C)CC1 ZINC000796548052 629934151 /nfs/dbraw/zinc/93/41/51/629934151.db2.gz XHCBUXDKGHZCAM-HNNXBMFYSA-N 0 1 280.412 2.895 20 30 CFEDMN CO[C@@H](C(=O)C(C#N)c1nc2ccccc2s1)C1CC1 ZINC000796631383 629943107 /nfs/dbraw/zinc/94/31/07/629943107.db2.gz YWQRVZXYUOMULJ-IINYFYTJSA-N 0 1 286.356 2.898 20 30 CFEDMN Cc1cccc2nc([C@@H](C#N)C(=O)C[C@H]3CCCOC3)[nH]c21 ZINC000796719950 629955208 /nfs/dbraw/zinc/95/52/08/629955208.db2.gz RIPNCTJCFAAPHS-OLZOCXBDSA-N 0 1 297.358 2.864 20 30 CFEDMN CO[C@@H](C(=O)C(C#N)c1nc(C(C)C)cs1)C1CC1 ZINC000796746947 629959201 /nfs/dbraw/zinc/95/92/01/629959201.db2.gz OXGAOKAQTWVOCV-ZWNOBZJWSA-N 0 1 278.377 2.868 20 30 CFEDMN CC[C@H](C)CCC(=O)C(C#N)C(=O)NC1CCCCC1 ZINC000796790773 629968602 /nfs/dbraw/zinc/96/86/02/629968602.db2.gz VIHHLRCXYQEKDT-GXTWGEPZSA-N 0 1 278.396 2.970 20 30 CFEDMN C=C(Cl)CNC1(c2cccc(C#N)c2)CCOCC1 ZINC000852562111 634781094 /nfs/dbraw/zinc/78/10/94/634781094.db2.gz BLUODGYQBNFGFP-UHFFFAOYSA-N 0 1 276.767 2.906 20 30 CFEDMN C#CCN1CCC[C@@H]1COC(=O)[C@@H]1[C@H](C)[C@@H]1c1ccccc1 ZINC000797554454 630078405 /nfs/dbraw/zinc/07/84/05/630078405.db2.gz VBYCQKUVTLKLNH-VDHUWJSZSA-N 0 1 297.398 2.677 20 30 CFEDMN CCN(CC)c1ccc(CNCC2(C#N)CC2)cc1 ZINC000797605294 630088815 /nfs/dbraw/zinc/08/88/15/630088815.db2.gz MFWCGENHFCCXRR-UHFFFAOYSA-N 0 1 257.381 2.926 20 30 CFEDMN C#CCC[C@@H](O)CNc1ccnc2cc(F)c(OC)cc21 ZINC000798419230 630190036 /nfs/dbraw/zinc/19/00/36/630190036.db2.gz DKORKJSJTCVNGM-LLVKDONJSA-N 0 1 288.322 2.569 20 30 CFEDMN CCCCO[C@H](C)C(=O)C(C#N)c1nc(C)cs1 ZINC000103635507 630291740 /nfs/dbraw/zinc/29/17/40/630291740.db2.gz PXCVXGFTBNCDDQ-MNOVXSKESA-N 0 1 266.366 2.833 20 30 CFEDMN FC(F)(F)c1cc(C=NNc2ccccc2)[nH]n1 ZINC000799463998 630310912 /nfs/dbraw/zinc/31/09/12/630310912.db2.gz OLSFMFJCIJCLNN-UHFFFAOYSA-N 0 1 254.215 2.875 20 30 CFEDMN N#Cc1cccc(NN=Cc2cc(C(F)(F)F)n[nH]2)c1 ZINC000799474820 630312227 /nfs/dbraw/zinc/31/22/27/630312227.db2.gz PVGNTOSYFRBDHR-UHFFFAOYSA-N 0 1 279.225 2.746 20 30 CFEDMN Cc1ccc(C(=O)Nc2nc(Cl)ccc2O)cc1C#N ZINC000799729505 630340748 /nfs/dbraw/zinc/34/07/48/630340748.db2.gz UFZVTHKVLAROHP-UHFFFAOYSA-N 0 1 287.706 2.873 20 30 CFEDMN CC(=NNc1cc(F)c(F)cc1F)c1cc(C)n(C)n1 ZINC000799880434 630350893 /nfs/dbraw/zinc/35/08/93/630350893.db2.gz PECDKQGJUCHYJP-UHFFFAOYSA-N 0 1 282.269 2.982 20 30 CFEDMN COc1cc(F)ccc1N=NC(C)c1cn(C)c(C)n1 ZINC000800817034 630408297 /nfs/dbraw/zinc/40/82/97/630408297.db2.gz TZAXIYKWBKGPLR-UHFFFAOYSA-N 0 1 276.315 2.712 20 30 CFEDMN COC(=O)c1c(F)cccc1N=NCc1cccc(O)c1 ZINC000800818873 630408355 /nfs/dbraw/zinc/40/83/55/630408355.db2.gz TTYWDWMKKPQORM-UHFFFAOYSA-N 0 1 288.278 2.764 20 30 CFEDMN C#CCN(CC)C[C@@H](OC)c1ccc(Cl)cc1 ZINC000801519393 630452790 /nfs/dbraw/zinc/45/27/90/630452790.db2.gz NDMARCMWGDPHJP-CQSZACIVSA-N 0 1 251.757 2.983 20 30 CFEDMN Cc1nc2c(cccc2C(=O)Nc2cc(C#N)ccc2O)[nH]1 ZINC000801932651 630490737 /nfs/dbraw/zinc/49/07/37/630490737.db2.gz SVCOKCSIQNCEBZ-UHFFFAOYSA-N 0 1 292.298 2.701 20 30 CFEDMN C[C@H](C#N)OCCN1CC[C@H](c2c(F)cccc2F)C1 ZINC000801942020 630492738 /nfs/dbraw/zinc/49/27/38/630492738.db2.gz GBYHZPSIDRPHRI-NEPJUHHUSA-N 0 1 280.318 2.683 20 30 CFEDMN Cc1nc(Cl)ccc1C(=O)C(C#N)c1ccccn1 ZINC000802040314 630498820 /nfs/dbraw/zinc/49/88/20/630498820.db2.gz KKUNTBAFGQTIJH-LLVKDONJSA-N 0 1 271.707 2.929 20 30 CFEDMN Cc1cccc2nc([C@H](C#N)C(=O)[C@H]3C[C@@H]3C(F)F)[nH]c21 ZINC000802087830 630501577 /nfs/dbraw/zinc/50/15/77/630501577.db2.gz FSRGNBXCQBOWCJ-LPEHRKFASA-N 0 1 289.285 2.949 20 30 CFEDMN CC(C)(C)OC(=O)N[C@@H]1CN(CCCCC#N)CC[C@H]1F ZINC000852738128 634818079 /nfs/dbraw/zinc/81/80/79/634818079.db2.gz LYDIXFRPRGUXFT-CHWSQXEVSA-N 0 1 299.390 2.617 20 30 CFEDMN C#CCCN(CCOC)Cc1ccc(Cl)cc1OC ZINC000852748826 634822915 /nfs/dbraw/zinc/82/29/15/634822915.db2.gz HSLSMQHPNCFQGD-UHFFFAOYSA-N 0 1 281.783 2.820 20 30 CFEDMN C=CCOCCN1CCN(c2ccc(C)cc2C)CC1 ZINC000852745460 634820916 /nfs/dbraw/zinc/82/09/16/634820916.db2.gz SLALFXCRJNNKHK-UHFFFAOYSA-N 0 1 274.408 2.628 20 30 CFEDMN CC(C)CN(Cc1ccc(C#N)cc1)CN1CC[C@H](C)C1=O ZINC000839979950 630556514 /nfs/dbraw/zinc/55/65/14/630556514.db2.gz KUTUKNLLYWWVHN-HNNXBMFYSA-N 0 1 299.418 2.842 20 30 CFEDMN C=CC1CCN(Cn2ccc(-c3ccc(F)cn3)n2)CC1 ZINC000839993276 630586517 /nfs/dbraw/zinc/58/65/17/630586517.db2.gz NJOOHPHAJIQTIR-UHFFFAOYSA-N 0 1 286.354 2.940 20 30 CFEDMN C=CCCCCCN(C)CN1C[C@@H]2CCC[C@H]2C1=O ZINC000840005007 630628387 /nfs/dbraw/zinc/62/83/87/630628387.db2.gz BIJSCRXDFMEHNL-LSDHHAIUSA-N 0 1 264.413 2.881 20 30 CFEDMN C[C@H](C[C@H](O)c1cccs1)NC[C@H](C#N)CCC#N ZINC000843107457 630667193 /nfs/dbraw/zinc/66/71/93/630667193.db2.gz OHIIAGOIWWACDW-AGIUHOORSA-N 0 1 277.393 2.593 20 30 CFEDMN N#Cc1sc(N2CCc3cnccc32)nc1Cl ZINC000804536643 630690919 /nfs/dbraw/zinc/69/09/19/630690919.db2.gz XTKZPQCCYVRQJA-UHFFFAOYSA-N 0 1 262.725 2.757 20 30 CFEDMN CC(C)n1cc(/C=C\C(=O)c2ccc(O)c(F)c2)nn1 ZINC000806571994 630813798 /nfs/dbraw/zinc/81/37/98/630813798.db2.gz SJMXVYCAYMHXKW-XQRVVYSFSA-N 0 1 275.283 2.600 20 30 CFEDMN C#CCC(CC#C)C(=O)Nc1cc(F)cc(Cl)c1O ZINC000807261394 630871360 /nfs/dbraw/zinc/87/13/60/630871360.db2.gz XQIFETJPTNSIMQ-UHFFFAOYSA-N 0 1 279.698 2.786 20 30 CFEDMN CC[C@@H]1CN(CC)CCN1C(=O)/C=C\c1ccccc1C#N ZINC000836948046 630921361 /nfs/dbraw/zinc/92/13/61/630921361.db2.gz NMEHBCRUJOJDSP-DOOKAGJSSA-N 0 1 297.402 2.514 20 30 CFEDMN Cn1c2ccccc2nc1NN=Cc1cc(F)ncc1F ZINC000807963969 630927164 /nfs/dbraw/zinc/92/71/64/630927164.db2.gz RMETUMDMXGVFHS-UHFFFAOYSA-N 0 1 287.273 2.693 20 30 CFEDMN Cc1cccnc1N=NC(C)c1cnnn1-c1ccccc1 ZINC000807984784 630930499 /nfs/dbraw/zinc/93/04/99/630930499.db2.gz VYIGPRMBNRRFML-UHFFFAOYSA-N 0 1 292.346 2.807 20 30 CFEDMN CC(=N[N-]c1[nH+]cccc1C)c1cnnn1-c1ccccc1 ZINC000807984784 630930501 /nfs/dbraw/zinc/93/05/01/630930501.db2.gz VYIGPRMBNRRFML-UHFFFAOYSA-N 0 1 292.346 2.807 20 30 CFEDMN C#CCC1(C(=O)N2CCN([C@@H](C)CC)CC2)CCCCC1 ZINC000837006136 630936205 /nfs/dbraw/zinc/93/62/05/630936205.db2.gz ZRNRXFHQNFIPFV-INIZCTEOSA-N 0 1 290.451 2.903 20 30 CFEDMN CC(=NN[C@@H]1CCSC1)c1ccc(F)cc1N(C)C ZINC000808002188 630937502 /nfs/dbraw/zinc/93/75/02/630937502.db2.gz WDJOTLCGJOFIBO-GFCCVEGCSA-N 0 1 281.400 2.711 20 30 CFEDMN C#C[C@H](N[C@@H]1CCc2c1ccc(OC)c2F)[C@@H]1CCCO1 ZINC000808715176 631033870 /nfs/dbraw/zinc/03/38/70/631033870.db2.gz SKTZWYWTRQXGNO-ZNMIVQPWSA-N 0 1 289.350 2.592 20 30 CFEDMN CN(C)Cc1ccc(NC(=O)C#CC(C)(C)C)cc1F ZINC000837453914 631034883 /nfs/dbraw/zinc/03/48/83/631034883.db2.gz BGAFRHWLLVIIHT-UHFFFAOYSA-N 0 1 276.355 2.875 20 30 CFEDMN C#CC[C@H](NCc1cncc(OC)c1)c1ccccc1 ZINC000808744024 631042128 /nfs/dbraw/zinc/04/21/28/631042128.db2.gz TWKJFBZJZJGLRI-KRWDZBQOSA-N 0 1 266.344 2.944 20 30 CFEDMN C=CCC(F)(F)C(=O)OCc1cc(O)ccc1[N+](=O)[O-] ZINC000837744923 631121434 /nfs/dbraw/zinc/12/14/34/631121434.db2.gz NVEOTSSSSLOGHC-UHFFFAOYSA-N 0 1 287.218 2.555 20 30 CFEDMN C=CC[C@H](NCc1cnc([C@H](C)O)s1)c1ccncc1 ZINC000809621100 631248807 /nfs/dbraw/zinc/24/88/07/631248807.db2.gz VGFQCUOMGVRCFN-FZMZJTMJSA-N 0 1 289.404 2.998 20 30 CFEDMN C#CC[C@H](NCc1cnc(CC)nc1)c1ccccc1 ZINC000840908678 631259923 /nfs/dbraw/zinc/25/99/23/631259923.db2.gz YHTKEMDOXYGLGO-INIZCTEOSA-N 0 1 265.360 2.893 20 30 CFEDMN C#C[C@@H](C)NCc1ccc(NC(=O)OC(C)(C)C)nc1 ZINC000809682851 631260220 /nfs/dbraw/zinc/26/02/20/631260220.db2.gz FURBPAFTVJXOBL-LLVKDONJSA-N 0 1 275.352 2.540 20 30 CFEDMN C[C@@H](C[C@@H](O)c1ccccc1)NCc1nc(C#N)cs1 ZINC000810152497 631336110 /nfs/dbraw/zinc/33/61/10/631336110.db2.gz SALIYZUCTFIPRA-SMDDNHRTSA-N 0 1 287.388 2.617 20 30 CFEDMN CC(C)(C)C#CCOC(=O)[C@]1(F)CCN(C(C)(C)C)C1 ZINC000810833122 631451687 /nfs/dbraw/zinc/45/16/87/631451687.db2.gz FIAXDSGUBMSGCP-INIZCTEOSA-N 0 1 283.387 2.792 20 30 CFEDMN COc1ccc(CN[C@H]2COCc3ccccc32)cc1C#N ZINC000841892093 631489475 /nfs/dbraw/zinc/48/94/75/631489475.db2.gz YPUAAEFPKWIGDU-KRWDZBQOSA-N 0 1 294.354 2.928 20 30 CFEDMN Cc1cc(N(C)C)ccc1CNCC1(C#N)CCC1 ZINC000841898302 631490240 /nfs/dbraw/zinc/49/02/40/631490240.db2.gz MJJJFYOAKZVGDS-UHFFFAOYSA-N 0 1 257.381 2.845 20 30 CFEDMN CCOc1cccc(CNCC2(C#N)CCC2)c1O ZINC000841899132 631491555 /nfs/dbraw/zinc/49/15/55/631491555.db2.gz SOZOUPUSWABVEQ-UHFFFAOYSA-N 0 1 260.337 2.574 20 30 CFEDMN CN(C)c1ccc(C(N)=NOC[C@@H]2CCC(F)(F)C2)cc1 ZINC000842022378 631503317 /nfs/dbraw/zinc/50/33/17/631503317.db2.gz GETSPWZXFOMFLN-LLVKDONJSA-N 0 1 297.349 2.825 20 30 CFEDMN CCO[C@H](CC)C(=O)[C@H](C#N)c1nc2cccc(C)c2[nH]1 ZINC000842308216 631584436 /nfs/dbraw/zinc/58/44/36/631584436.db2.gz SDSLXKMHSHPXOP-WCQYABFASA-N 0 1 285.347 2.863 20 30 CFEDMN C=CC1CCN(CN2CC[C@@H](Cc3ccccc3)C2=O)CC1 ZINC000811745619 631616877 /nfs/dbraw/zinc/61/68/77/631616877.db2.gz KPAZPBBUPDSZMQ-SFHVURJKSA-N 0 1 298.430 2.933 20 30 CFEDMN C#CCCc1noc(-c2ccc3[nH]c(OCC)nc3c2)n1 ZINC000842492574 631644601 /nfs/dbraw/zinc/64/46/01/631644601.db2.gz WUFMYMQFZPOBIZ-UHFFFAOYSA-N 0 1 282.303 2.577 20 30 CFEDMN CC(=N[N-]c1[nH]c2ccccc2[nH+]1)c1cc2n(n1)CCCC2 ZINC000842519922 631651003 /nfs/dbraw/zinc/65/10/03/631651003.db2.gz WIXDHXTURFUOTN-UHFFFAOYSA-N 0 1 294.362 2.932 20 30 CFEDMN c1cc2c3c(c1)C(=NNC14CC(C1)C4)CC[C@@H]3CN2 ZINC000842543659 631660441 /nfs/dbraw/zinc/66/04/41/631660441.db2.gz LFWRMMAYZABCOX-NOEPWBJOSA-N 0 1 253.349 2.836 20 30 CFEDMN COc1ccc(F)cc1C=NNc1cc(C)nc(C)n1 ZINC000812226601 631670538 /nfs/dbraw/zinc/67/05/38/631670538.db2.gz HWVZBXHJGKIJBR-UHFFFAOYSA-N 0 1 274.299 2.687 20 30 CFEDMN COc1ccc(F)cc1C=NNc1cccc(F)n1 ZINC000812229952 631671413 /nfs/dbraw/zinc/67/14/13/631671413.db2.gz QVMQPMYXTWLSIK-UHFFFAOYSA-N 0 1 263.247 2.814 20 30 CFEDMN C#CC[C@@H]1CCCN(CN2C(=O)[C@@H](C)[C@@H]2c2ccccc2)C1 ZINC000842629965 631685072 /nfs/dbraw/zinc/68/50/72/631685072.db2.gz TYWRCJZIWHSMGE-LZLYRXPVSA-N 0 1 296.414 2.899 20 30 CFEDMN C#CC[C@@H]1CCCN(CN2C(=O)[C@H](C)[C@H]2c2ccccc2)C1 ZINC000842629966 631685570 /nfs/dbraw/zinc/68/55/70/631685570.db2.gz TYWRCJZIWHSMGE-NUJGCVRESA-N 0 1 296.414 2.899 20 30 CFEDMN C#CC[C@@H]1CCCN(CN2C[C@@H](CC(C)C)CC2=O)C1 ZINC000842629586 631685618 /nfs/dbraw/zinc/68/56/18/631685618.db2.gz PTNIQUNBHDNDKL-CVEARBPZSA-N 0 1 276.424 2.574 20 30 CFEDMN C#C[C@@H](NC(=O)[C@H]1CCCCN1C)c1ccc(Cl)cc1 ZINC000812353941 631695423 /nfs/dbraw/zinc/69/54/23/631695423.db2.gz CVLBPXCTHMFQNP-HUUCEWRRSA-N 0 1 290.794 2.615 20 30 CFEDMN CCC[C@@H](C)CC(=O)C(C#N)C(=O)NCc1ccccc1 ZINC000155463789 650021946 /nfs/dbraw/zinc/02/19/46/650021946.db2.gz SPNOBPPZUSRONJ-HIFRSBDPSA-N 0 1 286.375 2.838 20 30 CFEDMN COc1cccc(O)c1C=NNc1nc2ccccc2[nH]1 ZINC000812486696 631724937 /nfs/dbraw/zinc/72/49/37/631724937.db2.gz BKTLWRVVOFWFIY-UHFFFAOYSA-N 0 1 282.303 2.723 20 30 CFEDMN CCCCCCCC(=O)N1[C@@H](C)CN(C)C[C@@H]1C ZINC000155566160 650026111 /nfs/dbraw/zinc/02/61/11/650026111.db2.gz ALZBNASKACFGMR-KBPBESRZSA-N 0 1 254.418 2.898 20 30 CFEDMN C=CC[C@@H](C(=O)NOCCOC(C)C)c1ccccc1 ZINC000812805355 631785009 /nfs/dbraw/zinc/78/50/09/631785009.db2.gz LYAIGXSFYAJEAL-OAHLLOKOSA-N 0 1 277.364 2.819 20 30 CFEDMN C#CCN(CC(=O)N[C@H]1CCCC[C@@H]1C)C1CCCC1 ZINC000155784200 650032097 /nfs/dbraw/zinc/03/20/97/650032097.db2.gz AXRCSLDBVTXJBF-HOCLYGCPSA-N 0 1 276.424 2.559 20 30 CFEDMN CCCCCCNC(=O)C(C#N)C(=O)[C@@H]1C[C@H]1CCC ZINC000813058122 631821113 /nfs/dbraw/zinc/82/11/13/631821113.db2.gz DUOSLJUDYIGROH-MGPQQGTHSA-N 0 1 278.396 2.828 20 30 CFEDMN N#CCC[C@@H](C#N)CNCC1([C@H](O)c2ccccc2)CC1 ZINC000843101785 631835335 /nfs/dbraw/zinc/83/53/35/631835335.db2.gz OFHAHRNXSPMVQM-GOEBONIOSA-N 0 1 283.375 2.533 20 30 CFEDMN N#CC(C(=O)C[C@@H]1CCOC1)c1cc(C(F)(F)F)ccn1 ZINC000813216928 631883145 /nfs/dbraw/zinc/88/31/45/631883145.db2.gz IDUJPUGFAQGVOP-ONGXEEELSA-N 0 1 298.264 2.703 20 30 CFEDMN C#CCCCCNC(=O)[C@H]1CCCCN1Cc1ccccc1 ZINC000155913959 650036671 /nfs/dbraw/zinc/03/66/71/650036671.db2.gz PLCGRGGHIMSBRT-GOSISDBHSA-N 0 1 298.430 2.961 20 30 CFEDMN C[C@H](CCC#N)CN1CCN(C(=O)OC(C)(C)C)[C@H](C)C1 ZINC000813338702 631908516 /nfs/dbraw/zinc/90/85/16/631908516.db2.gz PDYUVHHMCNGORI-ZIAGYGMSSA-N 0 1 295.427 2.867 20 30 CFEDMN C#CC1CCN(Cc2cnc([C@H]3CCCO3)s2)CC1 ZINC000843427283 631955689 /nfs/dbraw/zinc/95/56/89/631955689.db2.gz XZYSPIMTAIKRJW-CQSZACIVSA-N 0 1 276.405 2.840 20 30 CFEDMN C#CCOc1ccc(CN2C[C@@H](C)OC3(CCC3)C2)cc1 ZINC000843434889 631959599 /nfs/dbraw/zinc/95/95/99/631959599.db2.gz FEOIBXZCWDCZAX-OAHLLOKOSA-N 0 1 285.387 2.842 20 30 CFEDMN O=C(/C=C/c1cnn(CC(F)F)c1)c1ccc(O)c(F)c1 ZINC000814188723 632027527 /nfs/dbraw/zinc/02/75/27/632027527.db2.gz SCBBMOURMFMADA-HNQUOIGGSA-N 0 1 296.248 2.889 20 30 CFEDMN Cc1c(Cl)cccc1[N-][NH+]=Cc1cn(C)[nH]c1=O ZINC000814218664 632039433 /nfs/dbraw/zinc/03/94/33/632039433.db2.gz QBXFGNIFKNCUSD-UHFFFAOYSA-N 0 1 264.716 2.534 20 30 CFEDMN CCCCCCNC(=O)C(C#N)C(=O)C1CC2(CCC2)C1 ZINC000842683938 632039675 /nfs/dbraw/zinc/03/96/75/632039675.db2.gz UDTSWYXQYBXBQW-CQSZACIVSA-N 0 1 290.407 2.972 20 30 CFEDMN Cn1cc(CN=Nc2nc(-c3ccccc3)cs2)c(=O)[nH]1 ZINC000814216787 632039901 /nfs/dbraw/zinc/03/99/01/632039901.db2.gz XYXJYVRWERVGSP-UHFFFAOYSA-N 0 1 299.359 2.695 20 30 CFEDMN FC(F)Cn1cc(C=NNc2cccc(Cl)n2)cn1 ZINC000814229479 632042103 /nfs/dbraw/zinc/04/21/03/632042103.db2.gz ZXGSFEUMINDWMI-UHFFFAOYSA-N 0 1 285.685 2.643 20 30 CFEDMN C=CC[C@H](NCc1cnn(CC(F)F)c1)c1ccncc1 ZINC000814293482 632050364 /nfs/dbraw/zinc/05/03/64/632050364.db2.gz IJHPRQNPSPWAOC-AWEZNQCLSA-N 0 1 292.333 2.950 20 30 CFEDMN CC(C)(C)c1nnc(COC(=O)c2ccc(CC#N)cc2)[nH]1 ZINC000814462414 632069441 /nfs/dbraw/zinc/06/94/41/632069441.db2.gz CJDMPXCWLXBCQY-UHFFFAOYSA-N 0 1 298.346 2.525 20 30 CFEDMN CC(C)(C)c1nc(COC(=O)c2ccc(CC#N)cc2)n[nH]1 ZINC000814462414 632069443 /nfs/dbraw/zinc/06/94/43/632069443.db2.gz CJDMPXCWLXBCQY-UHFFFAOYSA-N 0 1 298.346 2.525 20 30 CFEDMN C=C[C@](C)(CC)C(=O)OCc1nnc(C(C)(C)C)[nH]1 ZINC000814465810 632071012 /nfs/dbraw/zinc/07/10/12/632071012.db2.gz CMVGYCQMRJMQKB-CQSZACIVSA-N 0 1 265.357 2.748 20 30 CFEDMN C=C[C@](C)(CC)C(=O)OCc1n[nH]c(C(C)(C)C)n1 ZINC000814465810 632071014 /nfs/dbraw/zinc/07/10/14/632071014.db2.gz CMVGYCQMRJMQKB-CQSZACIVSA-N 0 1 265.357 2.748 20 30 CFEDMN C#CC[C@H]1CCCN(C(=O)c2cc(-c3ccccc3)[nH]n2)C1 ZINC000844003644 632093518 /nfs/dbraw/zinc/09/35/18/632093518.db2.gz RCUHWNHMXDWWAS-AWEZNQCLSA-N 0 1 293.370 2.952 20 30 CFEDMN C#CC1CCN(C(=O)c2cnc(-c3ccccc3)[nH]2)CC1 ZINC000844046953 632102613 /nfs/dbraw/zinc/10/26/13/632102613.db2.gz LZHLLKJNTJQIDB-UHFFFAOYSA-N 0 1 279.343 2.562 20 30 CFEDMN Cc1cc(=O)nc(NN=C2CCC[C@@H]2C(C)(C)C#N)[nH]1 ZINC000814681279 632106880 /nfs/dbraw/zinc/10/68/80/632106880.db2.gz FEODQHINEBKSLQ-JTQLQIEISA-N 0 1 273.340 2.608 20 30 CFEDMN CC(C)CCC=Nn1c(=O)c2ccccc2[nH]c1=S ZINC000814781112 632122842 /nfs/dbraw/zinc/12/28/42/632122842.db2.gz WZZBURYUGRZFCI-UHFFFAOYSA-N 0 1 275.377 2.955 20 30 CFEDMN FC(F)(F)c1cccnc1NN=Cc1cocn1 ZINC000814801590 632126951 /nfs/dbraw/zinc/12/69/51/632126951.db2.gz NRJUJYGINJFMMU-UHFFFAOYSA-N 0 1 256.187 2.534 20 30 CFEDMN CC(=NNCc1cccc2cccnc21)c1ccc(N)nc1 ZINC000814803709 632127077 /nfs/dbraw/zinc/12/70/77/632127077.db2.gz LEPRDGIASQHXNG-UHFFFAOYSA-N 0 1 291.358 2.726 20 30 CFEDMN Clc1cccc2c1C(=NNCCN1CCCCC1)CO2 ZINC000814808233 632129226 /nfs/dbraw/zinc/12/92/26/632129226.db2.gz DRXVWPBVVYNZFL-UHFFFAOYSA-N 0 1 293.798 2.512 20 30 CFEDMN Cc1cc(NN=C2COc3ccc(Cl)cc32)ncn1 ZINC000814846018 632137295 /nfs/dbraw/zinc/13/72/95/632137295.db2.gz CVHQEIKZAQNIAL-UHFFFAOYSA-N 0 1 274.711 2.647 20 30 CFEDMN Cc1cc(=NN=C2COc3ccc(Cl)cc32)nc[nH]1 ZINC000814846018 632137299 /nfs/dbraw/zinc/13/72/99/632137299.db2.gz CVHQEIKZAQNIAL-UHFFFAOYSA-N 0 1 274.711 2.647 20 30 CFEDMN CC(=NN=Cc1cc(Cl)c(F)cc1O)c1cnccn1 ZINC000814861512 632140505 /nfs/dbraw/zinc/14/05/05/632140505.db2.gz VVWRLMXPOSHEQT-UHFFFAOYSA-N 0 1 292.701 2.818 20 30 CFEDMN CCC(=NNc1ccncc1Cl)c1ccc(F)cn1 ZINC000814869197 632143625 /nfs/dbraw/zinc/14/36/25/632143625.db2.gz UNQVXAVNBJRUIU-UHFFFAOYSA-N 0 1 278.718 2.917 20 30 CFEDMN CC(=NNc1ncnc(Cl)c1C(C)C)c1csnn1 ZINC000814921855 632165936 /nfs/dbraw/zinc/16/59/36/632165936.db2.gz GVCIKQKPKAPNOW-UHFFFAOYSA-N 0 1 296.787 2.941 20 30 CFEDMN Cn1c(Cl)nc(Cl)c1CN=Nc1cccc(F)n1 ZINC000814928162 632169543 /nfs/dbraw/zinc/16/95/43/632169543.db2.gz ZCARTXVFTBWWCG-UHFFFAOYSA-N 0 1 288.113 2.707 20 30 CFEDMN c1cc2c3c(c1)C(=NN[C@H]1CCSC1)CC[C@@H]3CN2 ZINC000814933036 632171107 /nfs/dbraw/zinc/17/11/07/632171107.db2.gz BRPFMHWVKHTUEF-MNOVXSKESA-N 0 1 273.405 2.789 20 30 CFEDMN COc1cc(C(C)N=Nc2cccc(Cl)n2)on1 ZINC000814939180 632175283 /nfs/dbraw/zinc/17/52/83/632175283.db2.gz HGPBLTVREBPSRB-UHFFFAOYSA-N 0 1 266.688 2.568 20 30 CFEDMN Fc1ccc(N=NCc2ccccn2)c(F)c1F ZINC000814945617 632177142 /nfs/dbraw/zinc/17/71/42/632177142.db2.gz HTKVHUNFJUJQNA-UHFFFAOYSA-N 0 1 251.211 2.945 20 30 CFEDMN CCc1c2ccccc2oc1C(C)N=Nc1cnnn1C ZINC000814981178 632183992 /nfs/dbraw/zinc/18/39/92/632183992.db2.gz YCJHYMSIJXTGDJ-UHFFFAOYSA-N 0 1 283.335 2.960 20 30 CFEDMN CC(=NNc1cnnn1C)c1cccc(C(F)(F)F)c1 ZINC000814982976 632185399 /nfs/dbraw/zinc/18/53/99/632185399.db2.gz WVEUVGSIFLMSRC-UHFFFAOYSA-N 0 1 283.257 2.670 20 30 CFEDMN Cn1nncc1N=NC1CCc2c1ccc(Cl)c2Cl ZINC000814983711 632185521 /nfs/dbraw/zinc/18/55/21/632185521.db2.gz NVMYKQCXPJPJNU-UHFFFAOYSA-N 0 1 296.161 2.884 20 30 CFEDMN C=CC[N@H+](CCOC)Cc1ccc(N(C)C)c(C)c1 ZINC000815099968 632200328 /nfs/dbraw/zinc/20/03/28/632200328.db2.gz AEPHGGKFKXBSBS-UHFFFAOYSA-N 0 1 262.397 2.695 20 30 CFEDMN C[C@@H]1CN(Cc2ccc(OCC#N)cc2)C2(CCC2)CO1 ZINC000844421286 632204706 /nfs/dbraw/zinc/20/47/06/632204706.db2.gz FTODCFHOJANUPK-CQSZACIVSA-N 0 1 286.375 2.732 20 30 CFEDMN C=CCC(F)(F)C(=O)Nc1ccc2nc[nH]c2c1 ZINC000815135675 632214027 /nfs/dbraw/zinc/21/40/27/632214027.db2.gz ZMVPGCCHSADANH-UHFFFAOYSA-N 0 1 251.236 2.713 20 30 CFEDMN C(=NNCCN1CCCCC1)c1cccc2c1CCC2 ZINC000844578291 632252106 /nfs/dbraw/zinc/25/21/06/632252106.db2.gz TUSPQAXOMWVEFS-UHFFFAOYSA-N 0 1 271.408 2.585 20 30 CFEDMN COc1cccc2c1OC(C)(C)CC2N=Nc1cncnc1 ZINC000844596207 632258955 /nfs/dbraw/zinc/25/89/55/632258955.db2.gz MXSJIUOYOYYXHJ-UHFFFAOYSA-N 0 1 298.346 2.863 20 30 CFEDMN C=C[C@@H](C)ON=C1CCN(CCC(F)(F)F)CC1 ZINC000844622023 632266074 /nfs/dbraw/zinc/26/60/74/632266074.db2.gz SCTKQCLSCGTQMD-SNVBAGLBSA-N 0 1 264.291 2.982 20 30 CFEDMN C#CCCCCCC(=O)N1[C@H](C)CN(C)[C@H](C)[C@@H]1C ZINC000844642028 632272206 /nfs/dbraw/zinc/27/22/06/632272206.db2.gz GOGNDHBLKXOXTJ-KFWWJZLASA-N 0 1 264.413 2.510 20 30 CFEDMN CCc1ccc(C#CC(=O)N[C@H]2CCCc3cn[nH]c32)cc1 ZINC000815828008 632324403 /nfs/dbraw/zinc/32/44/03/632324403.db2.gz YGSYTJKAHSAFNL-INIZCTEOSA-N 0 1 293.370 2.517 20 30 CFEDMN CCCc1nc(C)c(C(=O)Nc2cc(C#N)ccc2O)o1 ZINC000815877815 632328012 /nfs/dbraw/zinc/32/80/12/632328012.db2.gz IIJVXOCOTVSRAK-UHFFFAOYSA-N 0 1 285.303 2.765 20 30 CFEDMN N#C[C@H](C(=O)NC1CCCC1)C(=O)[C@@H]1CC2CCC1CC2 ZINC000815913026 632332548 /nfs/dbraw/zinc/33/25/48/632332548.db2.gz GBHUWDBXNSOXCA-VHMBPLKRSA-N 0 1 288.391 2.580 20 30 CFEDMN CC[C@H](CC(=O)C(C#N)C(=O)Nc1ccccn1)C(C)C ZINC000105759822 632363603 /nfs/dbraw/zinc/36/36/03/632363603.db2.gz HFMFURZZIRJQNP-OLZOCXBDSA-N 0 1 287.363 2.801 20 30 CFEDMN C[N@@H+](Cc1cc(Cl)cc([N+](=O)[O-])c1[O-])CC(C)(C)C#N ZINC000816632419 632497275 /nfs/dbraw/zinc/49/72/75/632497275.db2.gz ICQSWLBWEIKDNB-UHFFFAOYSA-N 0 1 297.742 2.935 20 30 CFEDMN CC(C)(C)c1nc(CNc2snc(Cl)c2C#N)n[nH]1 ZINC000840335167 632560496 /nfs/dbraw/zinc/56/04/96/632560496.db2.gz NGHIBHJLGILKEG-UHFFFAOYSA-N 0 1 296.787 2.696 20 30 CFEDMN N#CC(C(=O)C1(c2ccccc2)CC1)=C(O)[C@H]1CCCCO1 ZINC000845840403 632578291 /nfs/dbraw/zinc/57/82/91/632578291.db2.gz BCTXTNAVWHMEDN-HUUCEWRRSA-N 0 1 297.354 2.565 20 30 CFEDMN Nc1ccc2c(c1)C(=NOC[C@H]1CCOC1)CCCC2 ZINC000817327687 632603396 /nfs/dbraw/zinc/60/33/96/632603396.db2.gz OZYGAIORGHXWKY-LBPRGKRZSA-N 0 1 274.364 2.752 20 30 CFEDMN C[C@@H](CC(=O)N1CCCCCC1)NCC1(C#N)CCCC1 ZINC000846010314 632613199 /nfs/dbraw/zinc/61/31/99/632613199.db2.gz JTKOYTDFVVOMJK-HNNXBMFYSA-N 0 1 291.439 2.841 20 30 CFEDMN C=CCOc1ccc(CN2C[C@H]3[C@@H](C2)C3(F)F)cc1 ZINC000846108660 632632923 /nfs/dbraw/zinc/63/29/23/632632923.db2.gz BTECXMMDBUGUAU-OKILXGFUSA-N 0 1 265.303 2.948 20 30 CFEDMN C=CCC(C)(C)CNC(=O)Cc1n[nH]c2c1CCCC2 ZINC000817457823 632641213 /nfs/dbraw/zinc/64/12/13/632641213.db2.gz YVSICDCDYCPVIL-UHFFFAOYSA-N 0 1 275.396 2.550 20 30 CFEDMN C=CC[N@@H+](CC(=O)[O-])C[C@@H](OC(C)C)c1ccccc1 ZINC000846263644 632676575 /nfs/dbraw/zinc/67/65/75/632676575.db2.gz PZOQASAJQBXBCO-OAHLLOKOSA-N 0 1 277.364 2.725 20 30 CFEDMN N#CC(C(=O)Nc1ccccc1Cl)C(=O)[C@@H]1CC12CC2 ZINC000817713933 632690413 /nfs/dbraw/zinc/69/04/13/632690413.db2.gz IQJGWINSGTUJGM-UWVGGRQHSA-N 0 1 288.734 2.787 20 30 CFEDMN CC[C@H](NC(=O)C(C#N)C(=O)[C@@H]1CC12CC2)c1ccccc1 ZINC000817729309 632695887 /nfs/dbraw/zinc/69/58/87/632695887.db2.gz CFHXLYXPGGZKCN-KKUMJFAQSA-N 0 1 296.370 2.763 20 30 CFEDMN C=C(C)CONC(=O)[C@@H]1CCc2c1cccc2Cl ZINC000846535541 632725901 /nfs/dbraw/zinc/72/59/01/632725901.db2.gz DRKDUUBJLQXJOC-GFCCVEGCSA-N 0 1 265.740 2.994 20 30 CFEDMN C=C(C)CO[N-]C(=O)[C@@H](c1cccc(Cl)c1)[NH+](C)C ZINC000846537762 632726495 /nfs/dbraw/zinc/72/64/95/632726495.db2.gz CSMWYYAEMCQHRO-CYBMUJFWSA-N 0 1 282.771 2.567 20 30 CFEDMN C=C[C@@H](C)ONC(=O)[C@@H](CC)c1ccc(OC)cc1 ZINC000846548158 632736792 /nfs/dbraw/zinc/73/67/92/632736792.db2.gz IBSQHPPVCXOPQO-RISCZKNCSA-N 0 1 263.337 2.811 20 30 CFEDMN Cc1cc(C#N)ccc1NC[C@H]1CN(CC(C)C)CCO1 ZINC000846745109 632782147 /nfs/dbraw/zinc/78/21/47/632782147.db2.gz ASVSTWKGIPSQNM-INIZCTEOSA-N 0 1 287.407 2.635 20 30 CFEDMN CC(C)(CNC(=O)C(F)(F)C(F)F)CC(F)(F)F ZINC000856518846 635832051 /nfs/dbraw/zinc/83/20/51/635832051.db2.gz AYHVSPCKJSUNOZ-UHFFFAOYSA-N 0 1 283.187 2.982 20 30 CFEDMN C#C[C@@H]1CCCN(CC(=O)N[C@H](CCC)c2ccccc2)C1 ZINC000847024902 632890435 /nfs/dbraw/zinc/89/04/35/632890435.db2.gz AGDZPDCGLDABEY-SJLPKXTDSA-N 0 1 298.430 2.989 20 30 CFEDMN C#CCOc1ccc(CNCc2cncc(OCC)c2)cc1 ZINC000856789504 635860288 /nfs/dbraw/zinc/86/02/88/635860288.db2.gz GKSJRGLAVVKXDB-UHFFFAOYSA-N 0 1 296.370 2.782 20 30 CFEDMN C#CC[C@H](NC[C@](C)(O)C(F)(F)F)c1ccccc1 ZINC000819192470 633011721 /nfs/dbraw/zinc/01/17/21/633011721.db2.gz YRKMFKKBVQUHIW-STQMWFEESA-N 0 1 271.282 2.654 20 30 CFEDMN CC(C)(C#N)CNC[C@@H](O)c1cccc(Br)c1 ZINC000819218853 633023980 /nfs/dbraw/zinc/02/39/80/633023980.db2.gz LZUXLGNHKVKUKV-GFCCVEGCSA-N 0 1 297.196 2.622 20 30 CFEDMN C#CCCC[C@@H](C)OC(=O)[C@@H](CC)N(CC)CC ZINC000847866140 633113949 /nfs/dbraw/zinc/11/39/49/633113949.db2.gz KXQOYJFEXUMVQH-ZIAGYGMSSA-N 0 1 253.386 2.842 20 30 CFEDMN Cc1cccc2c(C(=O)N=C3C[C@H](C)ON3)coc21 ZINC000819439913 633163610 /nfs/dbraw/zinc/16/36/10/633163610.db2.gz ALLKQIOBBSORFD-VIFPVBQESA-N 0 1 258.277 2.593 20 30 CFEDMN Cc1ccc(C(=O)OCc2cc(C3CC3)[nH]n2)cc1C#N ZINC000848011164 633184570 /nfs/dbraw/zinc/18/45/70/633184570.db2.gz HGLLAGQHLVILDD-UHFFFAOYSA-N 0 1 281.315 2.824 20 30 CFEDMN C=C[C@H](C)ONC(=O)[C@H]1CCCc2ccc(OC)cc21 ZINC000848245248 633223175 /nfs/dbraw/zinc/22/31/75/633223175.db2.gz JTHOGARNWDWGHL-FZMZJTMJSA-N 0 1 275.348 2.737 20 30 CFEDMN C#C[C@H]1CCCN(C(=O)[C@@H](c2ccccc2)N(C)CC)C1 ZINC000848284779 633232517 /nfs/dbraw/zinc/23/25/17/633232517.db2.gz MUCUUHPMCNFGPG-DOTOQJQBSA-N 0 1 284.403 2.551 20 30 CFEDMN Clc1nccnc1N=NC1CCCN2CCCC[C@@H]12 ZINC000848406311 633250191 /nfs/dbraw/zinc/25/01/91/633250191.db2.gz LSKYESXPFSXRGL-NSHDSACASA-N 0 1 279.775 2.546 20 30 CFEDMN Cn1cc(N=NCc2ccc(C(C)(C)C#N)cc2)cn1 ZINC000848409231 633251231 /nfs/dbraw/zinc/25/12/31/633251231.db2.gz QHBFVNXFPPZAFF-UHFFFAOYSA-N 0 1 267.336 2.667 20 30 CFEDMN C#C[C@@H]1CCCN(Cn2cc(-c3ccccc3)cn2)C1 ZINC000848493231 633265697 /nfs/dbraw/zinc/26/56/97/633265697.db2.gz KNZNZDGTEXWEPQ-OAHLLOKOSA-N 0 1 265.360 2.853 20 30 CFEDMN C#CCOc1ccc(CN[C@@H](C)c2cncnc2C)cc1 ZINC000848554260 633288316 /nfs/dbraw/zinc/28/83/16/633288316.db2.gz RVFDQIKXIOSUIX-ZDUSSCGKSA-N 0 1 281.359 2.648 20 30 CFEDMN C=CCC[C@H](NC[C@@H]1CN(C2CC2)C(=O)O1)c1ccco1 ZINC000848569112 633292312 /nfs/dbraw/zinc/29/23/12/633292312.db2.gz CBYXNGOUNZGJTG-KGLIPLIRSA-N 0 1 290.363 2.860 20 30 CFEDMN C#C[C@@H](CC)NCc1cn(-c2ccccc2F)nc1C ZINC000848911713 633396810 /nfs/dbraw/zinc/39/68/10/633396810.db2.gz YJAGLGPGLPPTCD-AWEZNQCLSA-N 0 1 271.339 2.821 20 30 CFEDMN C#C[C@@H]1CCC[N@H+](Cc2cc(Cl)cc([N+](=O)[O-])c2[O-])C1 ZINC000848923734 633406587 /nfs/dbraw/zinc/40/65/87/633406587.db2.gz IXYQHHKOPNRWCE-SNVBAGLBSA-N 0 1 294.738 2.799 20 30 CFEDMN C#C[C@@H]1CCCN(Cc2ccnn2-c2ccccc2)C1 ZINC000848924571 633407656 /nfs/dbraw/zinc/40/76/56/633407656.db2.gz VQEJONYBBDEEAR-OAHLLOKOSA-N 0 1 265.360 2.718 20 30 CFEDMN O=C(/C=C/c1cn(C2CCC2)nn1)c1ccc(O)c(F)c1 ZINC000849244591 633589157 /nfs/dbraw/zinc/58/91/57/633589157.db2.gz FNLQNSLXWBOICK-FNORWQNLSA-N 0 1 287.294 2.744 20 30 CFEDMN C#CC[C@@H]1CCC[N@H+](Cc2cc(C(=O)[O-])c(C)o2)C1 ZINC000849344233 633622794 /nfs/dbraw/zinc/62/27/94/633622794.db2.gz FRMYVDSFEUKAOU-GFCCVEGCSA-N 0 1 261.321 2.522 20 30 CFEDMN C#C[C@H](NCc1ccc(OCC)cc1C)[C@@H]1CCCO1 ZINC000850251354 633913500 /nfs/dbraw/zinc/91/35/00/633913500.db2.gz UCZGOBSSVGJXBS-IRXDYDNUSA-N 0 1 273.376 2.664 20 30 CFEDMN N#Cc1ccc(CN[C@@H]2C[C@H](O)c3ccccc32)s1 ZINC000850371615 633960713 /nfs/dbraw/zinc/96/07/13/633960713.db2.gz LFUBHVREKRJWLA-CABCVRRESA-N 0 1 270.357 2.888 20 30 CFEDMN C#CCOc1ccccc1CN[C@@H]1CCCn2nccc21 ZINC000850443306 633995262 /nfs/dbraw/zinc/99/52/62/633995262.db2.gz LBSQSDHUIQZQOY-OAHLLOKOSA-N 0 1 281.359 2.520 20 30 CFEDMN Cc1cc(C(C#N)C(=O)[C@@H](C)Cc2ccco2)nc(C)n1 ZINC000850756341 634081510 /nfs/dbraw/zinc/08/15/10/634081510.db2.gz RCZYFXLXHUBVGV-IINYFYTJSA-N 0 1 283.331 2.742 20 30 CFEDMN CCCCCCCC[C@H](C)C(=O)N1CCNCC1 ZINC000852791035 634837757 /nfs/dbraw/zinc/83/77/57/634837757.db2.gz WPHOGTBCIDGDFS-AWEZNQCLSA-N 0 1 254.418 2.805 20 30 CFEDMN C=CCS(=O)(=O)CCNCc1cccc(C(C)C)c1 ZINC000853087097 634899693 /nfs/dbraw/zinc/89/96/93/634899693.db2.gz WVPMRYUNKYDDMI-UHFFFAOYSA-N 0 1 281.421 2.500 20 30 CFEDMN CCCOc1ccc(CN=Nc2cnn(C)c2)c(C)c1 ZINC000853339565 634975957 /nfs/dbraw/zinc/97/59/57/634975957.db2.gz TYNBFHJVVPPHES-UHFFFAOYSA-N 0 1 272.352 2.963 20 30 CFEDMN CC1(C)CCC[C@H]1NN=Cc1ccnn1-c1ccncc1 ZINC000853342011 634976701 /nfs/dbraw/zinc/97/67/01/634976701.db2.gz YLFXVDUYQXIOAN-OAHLLOKOSA-N 0 1 283.379 2.770 20 30 CFEDMN FC(F)(F)c1ccnc(NN=Cc2cnn3c2CCC3)c1 ZINC000853352716 634981052 /nfs/dbraw/zinc/98/10/52/634981052.db2.gz FVXMSFMCZCUSRM-UHFFFAOYSA-N 0 1 295.268 2.689 20 30 CFEDMN C[C@H]1CCCCN1N=C1CCN(Cc2ccccn2)CC1 ZINC000853381207 634988391 /nfs/dbraw/zinc/98/83/91/634988391.db2.gz YFJMGQACDBWIIW-HNNXBMFYSA-N 0 1 286.423 2.908 20 30 CFEDMN C[C@H]1CN(Cc2ccccc2)CC1N=Nc1ccncc1F ZINC000853402462 634995452 /nfs/dbraw/zinc/99/54/52/634995452.db2.gz ZCPPDIMSLAACSA-ZDUSSCGKSA-N 0 1 298.365 2.562 20 30 CFEDMN C=CC[C@H]1CCCN(CN2C[C@@H](c3cccnc3)CC2=O)C1 ZINC000853537157 635031371 /nfs/dbraw/zinc/03/13/71/635031371.db2.gz QFNSNCWZMKEFGR-RDJZCZTQSA-N 0 1 299.418 2.643 20 30 CFEDMN C=C1C[C@H]2CC[C@@H](C1)N2CN1CC[C@@H](C(C)C)C1=O ZINC000853597459 635045207 /nfs/dbraw/zinc/04/52/07/635045207.db2.gz AARMIBZQWNTNOJ-ZNMIVQPWSA-N 0 1 262.397 2.631 20 30 CFEDMN C=CCN1CCN(CN(C)C[C@H]2CCc3ccccc32)C1=O ZINC000853609470 635049164 /nfs/dbraw/zinc/04/91/64/635049164.db2.gz JHCZLLLBDBQTLR-MRXNPFEDSA-N 0 1 299.418 2.529 20 30 CFEDMN CC(C)[C@@H](N)c1noc(CC2(C#N)CCCCC2)n1 ZINC000854133369 635222296 /nfs/dbraw/zinc/22/22/96/635222296.db2.gz ZPOJMDIKSZXJDB-GFCCVEGCSA-N 0 1 262.357 2.742 20 30 CFEDMN C=CCCO[N-]C(=O)[C@@H](c1cccc(Cl)c1)[NH+](C)C ZINC000856032453 635708074 /nfs/dbraw/zinc/70/80/74/635708074.db2.gz ODGLHKPFYRDFQV-CYBMUJFWSA-N 0 1 282.771 2.567 20 30 CFEDMN N#Cc1ccc(O)c(NC(=O)/C=C/c2ccnc(Cl)c2)c1 ZINC000156946669 650210986 /nfs/dbraw/zinc/21/09/86/650210986.db2.gz TXCNZHDGSAFDGY-DUXPYHPUSA-N 0 1 299.717 2.964 20 30 CFEDMN CC(C)(C(=O)NOCC1CCC1)c1cc(F)cc(C#N)c1 ZINC000856352085 635794399 /nfs/dbraw/zinc/79/43/99/635794399.db2.gz WXHOCPOTWHAEAO-UHFFFAOYSA-N 0 1 290.338 2.823 20 30 CFEDMN C#C[C@@H](CC)NCc1ccnn1CCc1ccccc1 ZINC000857045370 635916347 /nfs/dbraw/zinc/91/63/47/635916347.db2.gz JCMFUILCCAJQIX-INIZCTEOSA-N 0 1 267.376 2.627 20 30 CFEDMN Cc1csc(C(C#N)C(=O)C=Cc2ccco2)n1 ZINC000047358169 650232415 /nfs/dbraw/zinc/23/24/15/650232415.db2.gz DUGFCZUJGMTXRT-ZWNMCFTASA-N 0 1 258.302 2.934 20 30 CFEDMN C=C[C@@H]1OCC[C@H]1[NH2+]Cc1c([O-])cccc1Br ZINC000858173116 636146944 /nfs/dbraw/zinc/14/69/44/636146944.db2.gz RETUFAGUJFNGIE-YPMHNXCESA-N 0 1 298.180 2.588 20 30 CFEDMN C#CCCOC(=O)NC[C@@H](c1ccc(Cl)cc1)N(C)C ZINC000859045951 636424200 /nfs/dbraw/zinc/42/42/00/636424200.db2.gz BZCSMHFWROMSER-AWEZNQCLSA-N 0 1 294.782 2.692 20 30 CFEDMN C#CC[C@@H](NCC(=O)NCC(C)(C)C)c1ccccc1 ZINC000859232078 636518325 /nfs/dbraw/zinc/51/83/25/636518325.db2.gz DXZHXDKYFIVQGY-OAHLLOKOSA-N 0 1 272.392 2.503 20 30 CFEDMN CCCCCCCN1CC[C@H]2CC[C@@H](C1)S2(=O)=O ZINC000859873138 636733112 /nfs/dbraw/zinc/73/31/12/636733112.db2.gz PIFAZCUHXSDOJL-KGLIPLIRSA-N 0 1 273.442 2.608 20 30 CFEDMN CCC[C@H](OCC)C(=O)C(C#N)c1nc(C)cs1 ZINC000860450374 636887008 /nfs/dbraw/zinc/88/70/08/636887008.db2.gz QQQOBGUZCPIAFP-MNOVXSKESA-N 0 1 266.366 2.833 20 30 CFEDMN Cc1cc(C(C#N)C(=O)C[C@@H](C)C(F)(F)F)nc(C)n1 ZINC000860465606 636890850 /nfs/dbraw/zinc/89/08/50/636890850.db2.gz KZQOPNDEHRCGFH-XCBNKYQSSA-N 0 1 285.269 2.858 20 30 CFEDMN CC(C)NC(=O)C(C#N)C(=O)[C@@H]1CC[C@@H](c2ccccc2)C1 ZINC000860473127 636892582 /nfs/dbraw/zinc/89/25/82/636892582.db2.gz STVWOCQXLXWKQQ-BZUAXINKSA-N 0 1 298.386 2.804 20 30 CFEDMN CC(C)(C(=O)NOC1CCCC1)c1ccc(C#N)cc1 ZINC000860601089 636923828 /nfs/dbraw/zinc/92/38/28/636923828.db2.gz FXBAWVQLMKBMIB-UHFFFAOYSA-N 0 1 272.348 2.826 20 30 CFEDMN C=CC[C@H](C)OC(=O)[C@@]1(F)CCN(C(C)(C)C)C1 ZINC000860896739 637005693 /nfs/dbraw/zinc/00/56/93/637005693.db2.gz QKMMIEBDPWVNFM-SMDDNHRTSA-N 0 1 257.349 2.707 20 30 CFEDMN C=C[C@@H](CC(=O)OCCN1CCC1)c1ccccc1 ZINC000861388757 637187287 /nfs/dbraw/zinc/18/72/87/637187287.db2.gz OLWQGUYPPWLNML-AWEZNQCLSA-N 0 1 259.349 2.595 20 30 CFEDMN C=CC[C@H](C(=O)OCCN1CCC1)c1ccccc1 ZINC000861389811 637187887 /nfs/dbraw/zinc/18/78/87/637187887.db2.gz YTXIHLDBBDLHCJ-HNNXBMFYSA-N 0 1 259.349 2.595 20 30 CFEDMN C#CC[C@@H]1CCN(Cc2cc(F)c(F)c(F)c2)C1 ZINC000862444990 637385408 /nfs/dbraw/zinc/38/54/08/637385408.db2.gz JQVCUOKLEAHZOT-SNVBAGLBSA-N 0 1 253.267 2.949 20 30 CFEDMN C#CC[C@H]1CCN(C(=O)c2cc(-c3ccc(C)cc3)[nH]n2)C1 ZINC000862562473 637429677 /nfs/dbraw/zinc/42/96/77/637429677.db2.gz JORRDHCIAWEDEN-AWEZNQCLSA-N 0 1 293.370 2.871 20 30 CFEDMN C#CC[C@@H]1CCN(C(=O)[C@@H](c2ccccc2)N(C)CC)C1 ZINC000862566709 637432776 /nfs/dbraw/zinc/43/27/76/637432776.db2.gz SXWWNRDVXOBXID-NVXWUHKLSA-N 0 1 284.403 2.551 20 30 CFEDMN C#Cc1cccc(NC(=O)c2c(O)cccc2F)c1 ZINC000118975066 637444867 /nfs/dbraw/zinc/44/48/67/637444867.db2.gz ZRMPJBVPQHREPQ-UHFFFAOYSA-N 0 1 255.248 2.765 20 30 CFEDMN COC[C@H](C)Oc1ccc(C=NNc2ccncc2C)cc1 ZINC000863157903 637571185 /nfs/dbraw/zinc/57/11/85/637571185.db2.gz KTAYFOZOMHHROZ-AWEZNQCLSA-N 0 1 299.374 2.672 20 30 CFEDMN COc1cc2c(cc1OC)C(=NNc1ccncc1C)CC2 ZINC000863157900 637571590 /nfs/dbraw/zinc/57/15/90/637571590.db2.gz KNLBZJCTUXMLES-UHFFFAOYSA-N 0 1 297.358 2.592 20 30 CFEDMN CCc1cccnc1C(C)=NNc1ccncc1C ZINC000863157288 637571808 /nfs/dbraw/zinc/57/18/08/637571808.db2.gz KKVRTVSSRZNJEX-UHFFFAOYSA-N 0 1 254.337 2.605 20 30 CFEDMN CCc1nc(C)c(C(C)=NNc2ccncc2C)s1 ZINC000863157802 637571814 /nfs/dbraw/zinc/57/18/14/637571814.db2.gz UOXUAOZUJASJME-UHFFFAOYSA-N 0 1 274.393 2.975 20 30 CFEDMN Cc1cnccc1NN=Cc1nc2c(s1)CCCC2 ZINC000863158374 637572707 /nfs/dbraw/zinc/57/27/07/637572707.db2.gz ZIEHLSMODFUXTQ-UHFFFAOYSA-N 0 1 272.377 2.593 20 30 CFEDMN Cc1cc([N-][NH+]=C2CCCCc3ccc(N)cc32)ccn1 ZINC000863160548 637575470 /nfs/dbraw/zinc/57/54/70/637575470.db2.gz JMQYYWXHSCDXHT-UHFFFAOYSA-N 0 1 280.375 2.937 20 30 CFEDMN FC(F)(F)C(F)(F)CNN=C1CCCN2CCCC[C@@H]12 ZINC000863183328 637582740 /nfs/dbraw/zinc/58/27/40/637582740.db2.gz VKFNRKJGYLSQEN-JTQLQIEISA-N 0 1 299.287 2.778 20 30 CFEDMN Cn1c2ccccc2nc1C(C#N)C(=O)C[C@H]1CCCCO1 ZINC000119834137 637852728 /nfs/dbraw/zinc/85/27/28/637852728.db2.gz DFMJSUKNTMEYBK-OLZOCXBDSA-N 0 1 297.358 2.709 20 30 CFEDMN CCCCCCCCC(=O)NCCN1CCCOCC1 ZINC000189405216 650378107 /nfs/dbraw/zinc/37/81/07/650378107.db2.gz GGHQONOAWPJKFW-UHFFFAOYSA-N 0 1 284.444 2.576 20 30 CFEDMN CC(=NNC(=N)N)c1ccc(Cl)c(Cl)c1Cl ZINC000864538024 638018384 /nfs/dbraw/zinc/01/83/84/638018384.db2.gz QRPSZSZEIZNYLW-UHFFFAOYSA-N 0 1 279.558 2.854 20 30 CFEDMN C=C1CCN(C(=O)c2c(Cl)[nH]nc2C2CC2)CC1 ZINC000865178379 638218409 /nfs/dbraw/zinc/21/84/09/638218409.db2.gz ZAEYVRWNXYJJJF-UHFFFAOYSA-N 0 1 265.744 2.733 20 30 CFEDMN N#CC(C(=O)Cc1cc(F)ccc1F)c1ccccn1 ZINC000076825006 650405951 /nfs/dbraw/zinc/40/59/51/650405951.db2.gz JSIMHZXERSMCLM-LBPRGKRZSA-N 0 1 272.254 2.779 20 30 CFEDMN COc1ccc(CNCc2cc(C#N)ccc2N(C)C)cc1 ZINC000865399058 638308400 /nfs/dbraw/zinc/30/84/00/638308400.db2.gz GMTPQHVTFGEKPV-UHFFFAOYSA-N 0 1 295.386 2.923 20 30 CFEDMN C#CCCN1CCN(c2ncc(C(F)(F)F)cc2C)CC1 ZINC000865475957 638364125 /nfs/dbraw/zinc/36/41/25/638364125.db2.gz HKUDQLAGAHIBOM-UHFFFAOYSA-N 0 1 297.324 2.554 20 30 CFEDMN C[C@H](C#N)Oc1ccc(CN[C@H]2CCCn3nccc32)cc1 ZINC000865871300 638629400 /nfs/dbraw/zinc/62/94/00/638629400.db2.gz GVMHEXBPWPMGMD-CJNGLKHVSA-N 0 1 296.374 2.799 20 30 CFEDMN COc1ccc2c(c1)CC[C@H]2NCc1ccc(C#N)cn1 ZINC000866343402 638800046 /nfs/dbraw/zinc/80/00/46/638800046.db2.gz JTERPDIPHGNRAP-QGZVFWFLSA-N 0 1 279.343 2.739 20 30 CFEDMN C[C@@H]([NH2+]Cc1nn(C)cc1Cl)c1cccc(C#N)c1[O-] ZINC000866366918 638806123 /nfs/dbraw/zinc/80/61/23/638806123.db2.gz DBQFKSXKERBEJB-SECBINFHSA-N 0 1 290.754 2.502 20 30 CFEDMN C[C@@H](c1ccncc1)N1CCN(c2ccc(C#N)cc2)CC1 ZINC000866588211 638849614 /nfs/dbraw/zinc/84/96/14/638849614.db2.gz SHAXVRGOUXWUBF-HNNXBMFYSA-N 0 1 292.386 2.836 20 30 CFEDMN C=CCCONC(=O)[C@@H]1Cc2ccc(Cl)cc21 ZINC000869282332 639131066 /nfs/dbraw/zinc/13/10/66/639131066.db2.gz HUPSZIBDWSGHOT-GFCCVEGCSA-N 0 1 251.713 2.604 20 30 CFEDMN N#Cc1ccc2nc(NC(=O)[C@H]3CC=CCC3)[nH]c2c1 ZINC000871070301 641185176 /nfs/dbraw/zinc/18/51/76/641185176.db2.gz JMISSRZIZWVYJY-NSHDSACASA-N 0 1 266.304 2.729 20 30 CFEDMN C=C[C@](C)(CCOC)C(=O)Nc1nc2ccc(C#N)cc2[nH]1 ZINC000871072409 641185939 /nfs/dbraw/zinc/18/59/39/641185939.db2.gz LETIMPRUDUKAAL-MRXNPFEDSA-N 0 1 298.346 2.602 20 30 CFEDMN CC1(C(=O)Nc2nc3ccc(C#N)cc3[nH]2)CCC(=O)CC1 ZINC000871072755 641186328 /nfs/dbraw/zinc/18/63/28/641186328.db2.gz PBARAHAQHHFINF-UHFFFAOYSA-N 0 1 296.330 2.522 20 30 CFEDMN C#CCC(C)(C)C(=O)N[C@H]1CCN(Cc2ccc(C)cc2)C1 ZINC000871187431 641236186 /nfs/dbraw/zinc/23/61/86/641236186.db2.gz FDFXLYIBFSTKLO-KRWDZBQOSA-N 0 1 298.430 2.735 20 30 CFEDMN COc1ccccc1NC(=O)C(C#N)C(=O)c1ccc(C)o1 ZINC000193470199 650659046 /nfs/dbraw/zinc/65/90/46/650659046.db2.gz YRMMXNPCKVHEGO-NSHDSACASA-N 0 1 298.298 2.558 20 30 CFEDMN Cc1cc(C(=O)C(C#N)c2ccccn2)cc(Cl)n1 ZINC000123825375 641481377 /nfs/dbraw/zinc/48/13/77/641481377.db2.gz IEPRYNSBINWSDK-LLVKDONJSA-N 0 1 271.707 2.929 20 30 CFEDMN COc1ncccc1CN[C@@H](C)c1ccc(OCC#N)cc1 ZINC000193526977 650665958 /nfs/dbraw/zinc/66/59/58/650665958.db2.gz XZJCTQVGJWRKOD-ZDUSSCGKSA-N 0 1 297.358 2.843 20 30 CFEDMN C=CC[C@@H](CO)CN[C@H](C)c1c(F)cccc1[N+](=O)[O-] ZINC000872054596 641589836 /nfs/dbraw/zinc/58/98/36/641589836.db2.gz ZMSPTQPUUUTYEK-GHMZBOCLSA-N 0 1 282.315 2.569 20 30 CFEDMN C#CCOc1ccccc1CNCc1ccc(CO)c(F)c1 ZINC000193696009 650686883 /nfs/dbraw/zinc/68/68/83/650686883.db2.gz UWXWFYCURQBEJB-UHFFFAOYSA-N 0 1 299.345 2.620 20 30 CFEDMN N#CCCN[C@@H]1[C@@H]2Cc3ccc(Br)cc3[C@@H]21 ZINC000872238396 641712753 /nfs/dbraw/zinc/71/27/53/641712753.db2.gz GZWHKULKJOEGDD-FRRDWIJNSA-N 0 1 277.165 2.590 20 30 CFEDMN CC1(C)[C@H]2[C@H](CCCN2Cc2ccc(F)c(C#N)c2)[C@@H]1O ZINC000872258565 641720637 /nfs/dbraw/zinc/72/06/37/641720637.db2.gz PEVVZKNEVUTZKJ-IMJJTQAJSA-N 0 1 288.366 2.679 20 30 CFEDMN C#Cc1ccc(CN2CCO[C@@H](C(F)F)CC2)cc1 ZINC000872256890 641721624 /nfs/dbraw/zinc/72/16/24/641721624.db2.gz DXLDZATZKCLPHT-CQSZACIVSA-N 0 1 265.303 2.524 20 30 CFEDMN N#C[C@@H](C(=O)C[C@@H]1CCCOC1)c1cnc2ccccc2n1 ZINC000193734306 650689589 /nfs/dbraw/zinc/68/95/89/650689589.db2.gz VDPQUJUHKPBWBW-QWHCGFSZSA-N 0 1 295.342 2.623 20 30 CFEDMN C[C@H]1C(N=Nc2ncccc2C(F)(F)F)CCN1C ZINC000872342621 641760232 /nfs/dbraw/zinc/76/02/32/641760232.db2.gz YSTUKLAITDVDRN-QMMMGPOBSA-N 0 1 272.274 2.592 20 30 CFEDMN Cc1ccnc(NN=Cc2ccnn2CC2CCC2)c1 ZINC000872356317 641765041 /nfs/dbraw/zinc/76/50/41/641765041.db2.gz JMAUCYYUFVWTBJ-UHFFFAOYSA-N 0 1 269.352 2.833 20 30 CFEDMN Cn1cc2c(n1)CCCC2=NNc1nc2ccncc2s1 ZINC000872412646 641800184 /nfs/dbraw/zinc/80/01/84/641800184.db2.gz JJSGJGALFXNVOB-UHFFFAOYSA-N 0 1 298.375 2.577 20 30 CFEDMN Cc1cc(C)c(C(C)N=Nc2cc(C)nc(N)n2)c(O)c1 ZINC000872420887 641805400 /nfs/dbraw/zinc/80/54/00/641805400.db2.gz QJXFWOMKXRUPRC-UHFFFAOYSA-N 0 1 285.351 2.526 20 30 CFEDMN Cc1ccc2c(c1)OCCCC2N=Nc1cc(C)nc(N)n1 ZINC000872420782 641805416 /nfs/dbraw/zinc/80/54/16/641805416.db2.gz MWQJWESYDZUODP-UHFFFAOYSA-N 0 1 297.362 2.664 20 30 CFEDMN CN(C)c1ccc(C(N)=NOC/C(Cl)=C/Cl)cc1 ZINC000124085590 641812296 /nfs/dbraw/zinc/81/22/96/641812296.db2.gz QGJUTTQFPRWDHF-YFHOEESVSA-N 0 1 288.178 2.709 20 30 CFEDMN CCCCC(N)=NOCCCOc1cccc(C#N)c1 ZINC000124099548 641817024 /nfs/dbraw/zinc/81/70/24/641817024.db2.gz KWNQCAPMGYRUKY-UHFFFAOYSA-N 0 1 275.352 2.806 20 30 CFEDMN C=CC[C@H]1CCCN(CN2C[C@H]3CCCCN3C2=O)C1 ZINC000872624316 641879505 /nfs/dbraw/zinc/87/95/05/641879505.db2.gz LLGNSXBXLGCIGG-LSDHHAIUSA-N 0 1 277.412 2.522 20 30 CFEDMN C=C[C@@H](C)NC(=O)N1CCC[C@H](c2cc(C(C)C)[nH]n2)C1 ZINC000872934777 641966536 /nfs/dbraw/zinc/96/65/36/641966536.db2.gz FZNUVJRTXFFNMW-OLZOCXBDSA-N 0 1 290.411 2.997 20 30 CFEDMN Cc1cccc(NCCNCc2cccc(F)c2C#N)n1 ZINC000873073368 642004277 /nfs/dbraw/zinc/00/42/77/642004277.db2.gz RLIRMQQKSIBJFH-UHFFFAOYSA-N 0 1 284.338 2.603 20 30 CFEDMN N#Cc1c(F)cccc1CNCC[C@@H](O)C1CCCC1 ZINC000873152374 642033445 /nfs/dbraw/zinc/03/34/45/642033445.db2.gz MXMBPNFKJRYZJF-MRXNPFEDSA-N 0 1 276.355 2.728 20 30 CFEDMN Cc1ccc2[nH]ncc2c1C(=O)OCCC(C)(C)C#N ZINC000873487835 642218649 /nfs/dbraw/zinc/21/86/49/642218649.db2.gz AGJPHYBPDAULAG-UHFFFAOYSA-N 0 1 271.320 2.968 20 30 CFEDMN CCCCCCC[C@H](C)[NH2+]C1CCN(CC(=O)[O-])CC1 ZINC000874047746 642327841 /nfs/dbraw/zinc/32/78/41/642327841.db2.gz ZMOKGCACHLLMPI-AWEZNQCLSA-N 0 1 284.444 2.874 20 30 CFEDMN Cc1nc[nH]c1C(=O)N(CCC#N)c1ccc(C)cc1 ZINC000874246587 642355706 /nfs/dbraw/zinc/35/57/06/642355706.db2.gz QSGRHMQFHZFCKV-UHFFFAOYSA-N 0 1 268.320 2.587 20 30 CFEDMN Cc1cc(F)c(C#N)cc1NC(=O)[C@H]1CCCc2[nH]ncc21 ZINC000874900994 642546959 /nfs/dbraw/zinc/54/69/59/642546959.db2.gz XYHOXXWDZAVUOB-NSHDSACASA-N 0 1 298.321 2.788 20 30 CFEDMN C=CC(C)(C)CCCNC(=O)NCc1cn[nH]c1C ZINC000875095744 642585259 /nfs/dbraw/zinc/58/52/59/642585259.db2.gz OTHLOQGQCYMMMP-UHFFFAOYSA-N 0 1 264.373 2.510 20 30 CFEDMN N#CC1(NC(=O)C(F)(F)c2cc(F)cc(F)c2)CCC1 ZINC000875482469 642628330 /nfs/dbraw/zinc/62/83/30/642628330.db2.gz GMOMPUMBSCWLBZ-UHFFFAOYSA-N 0 1 286.228 2.619 20 30 CFEDMN C=CC(C)(C)CCCNC(=O)NCc1n[nH]c(C(C)C)n1 ZINC000875630988 642654612 /nfs/dbraw/zinc/65/46/12/642654612.db2.gz MHINISNHYIWVIS-UHFFFAOYSA-N 0 1 293.415 2.720 20 30 CFEDMN COC1CCC(N(C)Cc2cc(C#N)cnc2Cl)CC1 ZINC000876736546 642986898 /nfs/dbraw/zinc/98/68/98/642986898.db2.gz KOMRLXDCLGRLCQ-UHFFFAOYSA-N 0 1 293.798 2.996 20 30 CFEDMN N#Cc1cnc(Cl)c(CN2CCC[C@@H]3COCC[C@H]32)c1 ZINC000876802891 643014958 /nfs/dbraw/zinc/01/49/58/643014958.db2.gz SSFATQBEXXMQIC-TZMCWYRMSA-N 0 1 291.782 2.608 20 30 CFEDMN N#Cc1cccc(CN2CCC[C@@H]2C[C@H](O)c2ccco2)n1 ZINC000876808885 643018149 /nfs/dbraw/zinc/01/81/49/643018149.db2.gz VOZDGDVZTJTIBX-CVEARBPZSA-N 0 1 297.358 2.634 20 30 CFEDMN CCCCCCCNC(=O)[C@@H](N)Cc1cccc(OC)c1 ZINC000876988383 643094230 /nfs/dbraw/zinc/09/42/30/643094230.db2.gz CYDXLEPHHPADHB-INIZCTEOSA-N 0 1 292.423 2.652 20 30 CFEDMN CC(C)CC[C@](C)(O)CNCc1cc(C#N)cnc1Cl ZINC000877050698 643121679 /nfs/dbraw/zinc/12/16/79/643121679.db2.gz NMFKEZRUIKMIHS-HNNXBMFYSA-N 0 1 295.814 2.883 20 30 CFEDMN CN(C)c1ccc(C#N)cc1CN1CCC(C)(C#N)CC1 ZINC000877182701 643192340 /nfs/dbraw/zinc/19/23/40/643192340.db2.gz QUJWXUWJAUUAKN-UHFFFAOYSA-N 0 1 282.391 2.750 20 30 CFEDMN C=CC(C)(C)CCCNC(=O)[C@@H]1Cc2ccccc2CN1 ZINC000877303588 643226616 /nfs/dbraw/zinc/22/66/16/643226616.db2.gz KPIILPJQRVZAEW-INIZCTEOSA-N 0 1 286.419 2.810 20 30 CFEDMN CC[C@H](CC#N)NCC12CC(C1)CN2C(=O)OC(C)(C)C ZINC000877367218 643249190 /nfs/dbraw/zinc/24/91/90/643249190.db2.gz ZKPGUEWJHKDRGN-MFOWVQHXSA-N 0 1 293.411 2.668 20 30 CFEDMN C[C@H](C#N)Oc1ccc(CN2C[C@@H](C)OC(C)(C)C2)cc1 ZINC000245571741 650824522 /nfs/dbraw/zinc/82/45/22/650824522.db2.gz XWSLWEIXHDBWDX-ZIAGYGMSSA-N 0 1 288.391 2.977 20 30 CFEDMN CC(C)(C)OC(=O)N[C@@H]1C[C@H](NCC2(C#N)CC2)C1(C)C ZINC000877495057 643307754 /nfs/dbraw/zinc/30/77/54/643307754.db2.gz XUKHVPLZCFRZBQ-NWDGAFQWSA-N 0 1 293.411 2.572 20 30 CFEDMN C#CCCCCCCN1CCOC[C@H]1CC(F)F ZINC000877520051 643324190 /nfs/dbraw/zinc/32/41/90/643324190.db2.gz YLJQZMUPZPZIML-CYBMUJFWSA-N 0 1 259.340 2.926 20 30 CFEDMN CCC[C@@H](CNCc1cc(C#N)cnc1Cl)OC ZINC000877556454 643357496 /nfs/dbraw/zinc/35/74/96/643357496.db2.gz RIGBZMPRGCSVLN-LBPRGKRZSA-N 0 1 267.760 2.511 20 30 CFEDMN C[C@H]1C[C@H](NCc2cc(C#N)cnc2Cl)CS1 ZINC000877587922 643382905 /nfs/dbraw/zinc/38/29/05/643382905.db2.gz JSHBXGDFAIOWTK-KWQFWETISA-N 0 1 267.785 2.590 20 30 CFEDMN C=CCCSCCNCc1cc(OC)cnc1F ZINC000877623369 643409533 /nfs/dbraw/zinc/40/95/33/643409533.db2.gz NRDVLZTUZKWDKE-UHFFFAOYSA-N 0 1 270.373 2.628 20 30 CFEDMN CN(C)c1ccc(C#N)cc1CN1CC(Cc2ccco2)C1 ZINC000877654131 643434872 /nfs/dbraw/zinc/43/48/72/643434872.db2.gz LDZRNCKTIMCBMJ-UHFFFAOYSA-N 0 1 295.386 2.892 20 30 CFEDMN C=CC[N@@H+](Cc1cccs1)C[C@@H](O)CC1(O)CCCC1 ZINC000877907195 643634441 /nfs/dbraw/zinc/63/44/41/643634441.db2.gz RVLPQJXFPPRODR-AWEZNQCLSA-N 0 1 295.448 2.792 20 30 CFEDMN C=CCN(Cc1cccs1)C[C@@H](O)CC1(O)CCCC1 ZINC000877907195 643634451 /nfs/dbraw/zinc/63/44/51/643634451.db2.gz RVLPQJXFPPRODR-AWEZNQCLSA-N 0 1 295.448 2.792 20 30 CFEDMN C=CC[C@@H](C)N1CCN(C(=O)c2ccc(F)c(F)c2)CC1 ZINC000877918330 643641505 /nfs/dbraw/zinc/64/15/05/643641505.db2.gz GQXUIWBMHZGPAQ-GFCCVEGCSA-N 0 1 294.345 2.687 20 30 CFEDMN C#CCCCCCN1CCN(Cc2ccco2)CC1 ZINC000877924811 643645073 /nfs/dbraw/zinc/64/50/73/643645073.db2.gz GJCCJRNSYNLUMO-UHFFFAOYSA-N 0 1 260.381 2.591 20 30 CFEDMN C=CC[C@@H](C(=O)OC)N1CCC(n2c(C)ccc2C)CC1 ZINC000878035124 643703418 /nfs/dbraw/zinc/70/34/18/643703418.db2.gz OALUZACIRILCGU-INIZCTEOSA-N 0 1 290.407 2.860 20 30 CFEDMN C=CC[C@@H](C)N1CCN(CC(F)(F)F)[C@@H](C)C1 ZINC000878324254 643840436 /nfs/dbraw/zinc/84/04/36/643840436.db2.gz JERHTKZCZFTQKI-MNOVXSKESA-N 0 1 250.308 2.519 20 30 CFEDMN N#CC(C(=O)[C@H]1[C@@H]2CCCC[C@@H]21)c1nnc2n1CCCCC2 ZINC000246599977 650875932 /nfs/dbraw/zinc/87/59/32/650875932.db2.gz VUSAKOJZXPMCTA-COMQUAJESA-N 0 1 298.390 2.617 20 30 CFEDMN C=CC[C@H](C)N1CCN(c2nc(F)c(F)cc2F)CC1 ZINC000878511011 643921215 /nfs/dbraw/zinc/92/12/15/643921215.db2.gz GPUXZBFPEOZHEP-JTQLQIEISA-N 0 1 285.313 2.586 20 30 CFEDMN C[C@H]1CCc2[nH]ncc2[C@H]1C(=O)Nc1ccc(F)c(C#N)c1 ZINC000878707613 643999462 /nfs/dbraw/zinc/99/94/62/643999462.db2.gz VFJLLVIJUQIHBD-VFZGTOFNSA-N 0 1 298.321 2.725 20 30 CFEDMN C[C@H](CC#N)NC[C@H](O)CO[C@@H](C)c1ccc(Cl)cc1 ZINC000878817428 644038804 /nfs/dbraw/zinc/03/88/04/644038804.db2.gz SWFIIEGSKQPEAR-XUJVJEKNSA-N 0 1 296.798 2.670 20 30 CFEDMN C=CC[C@H]1CCCN(CC(=O)Nc2ncccc2C)C1 ZINC000878914968 644074071 /nfs/dbraw/zinc/07/40/71/644074071.db2.gz MYUPPKFIEMBRRF-AWEZNQCLSA-N 0 1 273.380 2.617 20 30 CFEDMN C=CC[C@H](C)N1C[C@@H](CC(F)(F)F)O[C@@H](C)C1 ZINC000878997725 644105182 /nfs/dbraw/zinc/10/51/82/644105182.db2.gz JPUHOVKTYWMPOI-GARJFASQSA-N 0 1 251.292 2.993 20 30 CFEDMN Cc1ccc(O[C@@H]2CCN(CC3(CC#N)CC3)C2)nc1 ZINC000879057407 644127680 /nfs/dbraw/zinc/12/76/80/644127680.db2.gz LIORSPJEYGXRCA-CQSZACIVSA-N 0 1 271.364 2.537 20 30 CFEDMN C[C@H]1C[C@H](NC(=O)OC(C)(C)C)C[N@H+]1CC1(CC#N)CC1 ZINC000879222271 644180652 /nfs/dbraw/zinc/18/06/52/644180652.db2.gz HHVHJRXSLKVXQV-STQMWFEESA-N 0 1 293.411 2.668 20 30 CFEDMN C[C@H]1C[C@H](NC(=O)OC(C)(C)C)CN1CC1(CC#N)CC1 ZINC000879222271 644180656 /nfs/dbraw/zinc/18/06/56/644180656.db2.gz HHVHJRXSLKVXQV-STQMWFEESA-N 0 1 293.411 2.668 20 30 CFEDMN C=C(Cl)CN1CCC[C@@H]1[C@H](O)c1ccccc1 ZINC000879241270 644187523 /nfs/dbraw/zinc/18/75/23/644187523.db2.gz LIVOFNVMPNHSFF-ZIAGYGMSSA-N 0 1 251.757 2.937 20 30 CFEDMN CN(CCCOC(F)(F)F)[C@@H]1CCC[C@@H]1C#N ZINC000879308785 644217271 /nfs/dbraw/zinc/21/72/71/644217271.db2.gz HGZRAXMCMVHATG-NXEZZACHSA-N 0 1 250.264 2.537 20 30 CFEDMN CO[C@H]1CC[C@@H](C)N(CC#Cc2ccc(F)cc2)C1 ZINC000879320944 644225479 /nfs/dbraw/zinc/22/54/79/644225479.db2.gz KEPYWGUASURRKC-CJNGLKHVSA-N 0 1 261.340 2.677 20 30 CFEDMN COc1cccc(CN2CCN([C@@H](C)CCC#N)CC2)c1 ZINC000879449040 644275998 /nfs/dbraw/zinc/27/59/98/644275998.db2.gz IAQICESTUIEGQR-HNNXBMFYSA-N 0 1 287.407 2.505 20 30 CFEDMN C=CCCCCNC(=O)[C@@H]1c2cn[nH]c2CC[C@@H]1C ZINC000879514656 644298200 /nfs/dbraw/zinc/29/82/00/644298200.db2.gz MDSCEWBMYLXPMJ-FZMZJTMJSA-N 0 1 261.369 2.548 20 30 CFEDMN C[C@@H]1CC[C@@H](CC(=O)[C@H](C#N)C(=O)NC2CCCCC2)C1 ZINC000247452660 650908961 /nfs/dbraw/zinc/90/89/61/650908961.db2.gz JICIAWXMQAKCHD-NFAWXSAZSA-N 0 1 290.407 2.970 20 30 CFEDMN N#Cc1ccc(F)c(CN2CC[C@@H]3CSC[C@@H]3C2)c1 ZINC000879555039 644316069 /nfs/dbraw/zinc/31/60/69/644316069.db2.gz ILVVDHXMTLTFJA-OCCSQVGLSA-N 0 1 276.380 2.882 20 30 CFEDMN N#Cc1c(CN2CC[C@H]3CSC[C@H]3C2)cn2ccccc12 ZINC000879559318 644318528 /nfs/dbraw/zinc/31/85/28/644318528.db2.gz RFWTZWBZOQVVPB-DZGCQCFKSA-N 0 1 297.427 2.996 20 30 CFEDMN C=C(Br)CN1CC[C@H]2CSC[C@@H]2C1 ZINC000879559298 644318650 /nfs/dbraw/zinc/31/86/50/644318650.db2.gz REWUGWGCQKXDFO-UWVGGRQHSA-N 0 1 262.216 2.580 20 30 CFEDMN N#Cc1c(CN2CC[C@@H]3CSC[C@@H]3C2)cn2ccccc12 ZINC000879559321 644319354 /nfs/dbraw/zinc/31/93/54/644319354.db2.gz RFWTZWBZOQVVPB-HIFRSBDPSA-N 0 1 297.427 2.996 20 30 CFEDMN C[C@@H](NCC#Cc1ccccc1Cl)c1ccnn1C ZINC000879686028 644380337 /nfs/dbraw/zinc/38/03/37/644380337.db2.gz QSMANWZRITWYSP-GFCCVEGCSA-N 0 1 273.767 2.776 20 30 CFEDMN CCCCCCCN1C[C@]2(C)CS(=O)(=O)C[C@]2(C)C1 ZINC000880016210 644503389 /nfs/dbraw/zinc/50/33/89/644503389.db2.gz MUTXDAYACMTGDV-GASCZTMLSA-N 0 1 287.469 2.713 20 30 CFEDMN N#CCc1ccc(CN2CCO[C@@H](C(F)(F)F)CC2)cc1 ZINC000880053934 644515378 /nfs/dbraw/zinc/51/53/78/644515378.db2.gz UNHZUUZSVWKTCF-CQSZACIVSA-N 0 1 298.308 2.906 20 30 CFEDMN C[C@@H]1CN([C@@H]2CC[C@@H](C#N)C2)CC[C@H](C(F)(F)F)O1 ZINC000880067017 644519923 /nfs/dbraw/zinc/51/99/23/644519923.db2.gz MRBMUNPDWKYZBB-DDHJBXDOSA-N 0 1 276.302 2.720 20 30 CFEDMN CCC#C[C@H](C)N(C)C[C@@H]1CN(c2ccccc2)C(=O)O1 ZINC000880079758 644525037 /nfs/dbraw/zinc/52/50/37/644525037.db2.gz JSYYOZWWFSWIAJ-GOEBONIOSA-N 0 1 286.375 2.746 20 30 CFEDMN C=CCOCCN1CCc2cc(OC)c(OC)cc2[C@H]1C ZINC000880089904 644527550 /nfs/dbraw/zinc/52/75/50/644527550.db2.gz MAHGZXFDAOVBAK-CYBMUJFWSA-N 0 1 291.391 2.826 20 30 CFEDMN Cc1cc(C#N)cc(NC(=O)[C@H]2c3cn[nH]c3CC[C@H]2C)c1 ZINC000880245067 644607943 /nfs/dbraw/zinc/60/79/43/644607943.db2.gz HGWUQCUMHIYQPP-BDJLRTHQSA-N 0 1 294.358 2.894 20 30 CFEDMN C[C@@H]1CC[C@H](CO)N1Cc1ccc(C#N)cc1Cl ZINC000880444790 644711250 /nfs/dbraw/zinc/71/12/50/644711250.db2.gz YVVILJODBBPKEX-ZWNOBZJWSA-N 0 1 264.756 2.557 20 30 CFEDMN C=CC[C@@H]1CCCN(C(=O)[C@@H]2c3cn[nH]c3CC[C@@H]2C)C1 ZINC000880668937 644801251 /nfs/dbraw/zinc/80/12/51/644801251.db2.gz ATTKJGSLIXOUQY-ZENOOKHLSA-N 0 1 287.407 2.890 20 30 CFEDMN Cc1ccc(NC[C@@H](c2ccco2)N(C)C)c(C#N)n1 ZINC000881752722 645121475 /nfs/dbraw/zinc/12/14/75/645121475.db2.gz YLTYQRLEADLJCG-AWEZNQCLSA-N 0 1 270.336 2.570 20 30 CFEDMN CCCCCCN(C)CC(=O)Nc1cccc(CC#N)n1 ZINC000882475179 645334163 /nfs/dbraw/zinc/33/41/63/645334163.db2.gz HMKZXZZXCDYNMN-UHFFFAOYSA-N 0 1 288.395 2.598 20 30 CFEDMN C#CC1(NC(=O)c2ccc(CN(CC)CC)o2)CCCC1 ZINC000882535977 645359115 /nfs/dbraw/zinc/35/91/15/645359115.db2.gz SHOUYOPAGZFEKF-UHFFFAOYSA-N 0 1 288.391 2.797 20 30 CFEDMN C=C(Cl)CN[C@@H](C)c1ccc2c(c1)OCCO2 ZINC000130882732 645588630 /nfs/dbraw/zinc/58/86/30/645588630.db2.gz JNOJBVJHDJXCOE-JTQLQIEISA-N 0 1 253.729 2.861 20 30 CFEDMN C#CC[C@H](CO)NCc1ccc(-c2cccc(F)c2F)o1 ZINC000883124529 645614342 /nfs/dbraw/zinc/61/43/42/645614342.db2.gz IRDCKNZVOVFKET-LLVKDONJSA-N 0 1 291.297 2.699 20 30 CFEDMN C=CCC[C@@H](NCc1nccs1)[C@@H]1CCCO1 ZINC000883175050 645640489 /nfs/dbraw/zinc/64/04/89/645640489.db2.gz YCLPWLJEUTXQMP-NEPJUHHUSA-N 0 1 252.383 2.747 20 30 CFEDMN C=C[C@H](CO)NCc1c(C)ccc(Br)c1F ZINC000883181515 645645044 /nfs/dbraw/zinc/64/50/44/645645044.db2.gz DCAIGODKZZDUMO-SECBINFHSA-N 0 1 288.160 2.533 20 30 CFEDMN C=CCC[C@@H](COc1ccccc1)NCc1ccn(C)n1 ZINC000883208920 645665777 /nfs/dbraw/zinc/66/57/77/645665777.db2.gz QPYNXZJSPUKXSQ-INIZCTEOSA-N 0 1 285.391 2.924 20 30 CFEDMN C#CC1(NCc2cnc(C(C)(C)C)nc2)CCCC1 ZINC000883361897 645768213 /nfs/dbraw/zinc/76/82/13/645768213.db2.gz OJAJZPDSDVZRSP-UHFFFAOYSA-N 0 1 257.381 2.810 20 30 CFEDMN C=C(C)C[C@@H](CO)N[C@H](C)c1nc(C)sc1C ZINC000883390142 645788565 /nfs/dbraw/zinc/78/85/65/645788565.db2.gz GMZZJZIWKDMGIH-SKDRFNHKSA-N 0 1 254.399 2.738 20 30 CFEDMN C=CCC[C@H](N[C@@H]1CC(=O)N(CC2CC2)C1)c1ccco1 ZINC000883395013 645793503 /nfs/dbraw/zinc/79/35/03/645793503.db2.gz LNPIYPMETLHYAH-CABCVRRESA-N 0 1 288.391 2.887 20 30 CFEDMN C=C(C)C[C@H](CO)NCc1ccc(F)c(F)c1F ZINC000883399130 645795112 /nfs/dbraw/zinc/79/51/12/645795112.db2.gz FLNPYJQTIFYFQC-SNVBAGLBSA-N 0 1 259.271 2.521 20 30 CFEDMN C=C(C)C[C@@H](CO)NCc1coc(-c2ccccc2)n1 ZINC000883400673 645797294 /nfs/dbraw/zinc/79/72/94/645797294.db2.gz SGGYFBKEEHVCHZ-AWEZNQCLSA-N 0 1 272.348 2.758 20 30 CFEDMN C=CCN(CC=C)C(=O)CN[C@H]1c2ccccc2NC1(C)C ZINC000883462270 645845867 /nfs/dbraw/zinc/84/58/67/645845867.db2.gz NJVFISMRXYRYRV-KRWDZBQOSA-N 0 1 299.418 2.722 20 30 CFEDMN CC#CCN1CCC(N(C)C(=O)c2ccc(C)cc2C)CC1 ZINC001006363469 646007517 /nfs/dbraw/zinc/00/75/17/646007517.db2.gz FKVMJWTWAFPOQK-UHFFFAOYSA-N 0 1 298.430 2.863 20 30 CFEDMN C=CCOC(=O)c1[nH]c(-c2cccc(OC)c2)nc1C ZINC000133058225 646019872 /nfs/dbraw/zinc/01/98/72/646019872.db2.gz RLKOJSDBSIMMCD-UHFFFAOYSA-N 0 1 272.304 2.737 20 30 CFEDMN C=CCCC[C@H](C(=O)N1CCNCC1)c1ccccc1 ZINC000884007838 646092827 /nfs/dbraw/zinc/09/28/27/646092827.db2.gz QVFHFYKTQNEWFM-INIZCTEOSA-N 0 1 272.392 2.558 20 30 CFEDMN C[C@@H](NCc1ccc(C#N)cc1)c1ccc(F)cn1 ZINC000133935090 646256195 /nfs/dbraw/zinc/25/61/95/646256195.db2.gz WPHJJXXRANNVPH-LLVKDONJSA-N 0 1 255.296 2.943 20 30 CFEDMN CC(C)(C#N)CNCc1cc(Br)ccc1O ZINC000134977021 646423155 /nfs/dbraw/zinc/42/31/55/646423155.db2.gz LGMLECUYGCOCBZ-UHFFFAOYSA-N 0 1 283.169 2.794 20 30 CFEDMN C[C@@H]1CCc2[nH]ncc2[C@H]1C(=O)OCCC(C)(C)C#N ZINC000885257795 646650018 /nfs/dbraw/zinc/65/00/18/646650018.db2.gz DLPKSZYGNROUBU-MFKMUULPSA-N 0 1 275.352 2.559 20 30 CFEDMN C=CCCCCOC(=O)[C@@H]1c2cn[nH]c2CC[C@@H]1C ZINC000885259410 646650046 /nfs/dbraw/zinc/65/00/46/646650046.db2.gz LVQNOFRSQRDZTP-FZMZJTMJSA-N 0 1 262.353 2.975 20 30 CFEDMN CN(Cc1ccccc1F)C[C@@H](O)CC1(C#N)CCC1 ZINC000885931376 646772933 /nfs/dbraw/zinc/77/29/33/646772933.db2.gz SRHKMVLXLASGKA-AWEZNQCLSA-N 0 1 276.355 2.702 20 30 CFEDMN CC(C)(C)CN(CCC#N)C[C@@H](O)CC1(C#N)CCC1 ZINC000886017256 646819372 /nfs/dbraw/zinc/81/93/72/646819372.db2.gz WCZIZJHMRRZTBO-AWEZNQCLSA-N 0 1 277.412 2.693 20 30 CFEDMN COc1ccc(C#N)cc1NCc1n[nH]c(C)c1C ZINC000886141195 646891499 /nfs/dbraw/zinc/89/14/99/646891499.db2.gz ZMPCYBUPKJZOLK-UHFFFAOYSA-N 0 1 256.309 2.519 20 30 CFEDMN C#CCN1CCC[C@@H](NCc2nc(C(C)(C)C)cs2)C1 ZINC000886208921 646921993 /nfs/dbraw/zinc/92/19/93/646921993.db2.gz AETJFAOLOWZWSX-CYBMUJFWSA-N 0 1 291.464 2.628 20 30 CFEDMN CC1(C)CN(C[C@@H](O)CC2(C#N)CCC2)[C@H]1c1cccnc1 ZINC000886289607 646956223 /nfs/dbraw/zinc/95/62/23/646956223.db2.gz ZEIRAUDYYKNHNT-HOTGVXAUSA-N 0 1 299.418 2.909 20 30 CFEDMN C=CCN(Cc1cccs1)C(=O)[C@H](C)N1C[C@@H]2C[C@@H]2C1 ZINC000886342843 646979505 /nfs/dbraw/zinc/97/95/05/646979505.db2.gz KPUHGSWSBRZZQU-MELADBBJSA-N 0 1 290.432 2.603 20 30 CFEDMN C#CC[C@H]1CC[N@H+](Cc2nc(-c3ccccc3C)no2)C1 ZINC000886354004 646982810 /nfs/dbraw/zinc/98/28/10/646982810.db2.gz UJGFQXWXDGDXFT-AWEZNQCLSA-N 0 1 281.359 2.890 20 30 CFEDMN C#CC[C@H]1CCN(Cc2nc(-c3ccccc3C)no2)C1 ZINC000886354004 646982813 /nfs/dbraw/zinc/98/28/13/646982813.db2.gz UJGFQXWXDGDXFT-AWEZNQCLSA-N 0 1 281.359 2.890 20 30 CFEDMN C#CC[C@H]1CC[N@H+](CC(=O)N(C)[C@@H](C)c2ccccc2)C1 ZINC000886353288 646983283 /nfs/dbraw/zinc/98/32/83/646983283.db2.gz GBPCIOWRUQPSNH-HOTGVXAUSA-N 0 1 284.403 2.551 20 30 CFEDMN C#CC[C@@H]1CCN(CC(=O)Nc2ccccc2CC)C1 ZINC000886354284 646984647 /nfs/dbraw/zinc/98/46/47/646984647.db2.gz ZBBGSDMDXWOROA-CQSZACIVSA-N 0 1 270.376 2.533 20 30 CFEDMN C#CC[C@@H]1CCN([C@H](C)c2cn(-c3ccccc3)nn2)C1 ZINC000886359597 646986800 /nfs/dbraw/zinc/98/68/00/646986800.db2.gz GEDQFJGMABEQQF-HUUCEWRRSA-N 0 1 280.375 2.674 20 30 CFEDMN C#CC[C@H]1CCN(CC(=O)Nc2ccc(SC)cc2)C1 ZINC000886361407 646988038 /nfs/dbraw/zinc/98/80/38/646988038.db2.gz GNPSTJZPRXMNRN-ZDUSSCGKSA-N 0 1 288.416 2.692 20 30 CFEDMN C#CCC1(NCc2nc3cc(F)ccc3o2)CCOCC1 ZINC000886379305 646993448 /nfs/dbraw/zinc/99/34/48/646993448.db2.gz VYBAJUBWJMSKBZ-UHFFFAOYSA-N 0 1 288.322 2.629 20 30 CFEDMN C=CCn1cc2ccc(NC(=O)CN(C)C(C)C)cc2n1 ZINC000886647237 647086358 /nfs/dbraw/zinc/08/63/58/647086358.db2.gz HUZOTWKLNMDSQO-UHFFFAOYSA-N 0 1 286.379 2.501 20 30 CFEDMN C#CCC1(NCc2cc(-c3ccco3)on2)CCOCC1 ZINC000887125911 647220092 /nfs/dbraw/zinc/22/00/92/647220092.db2.gz PCSBMOPEGMNNNH-UHFFFAOYSA-N 0 1 286.331 2.597 20 30 CFEDMN C=CC[C@H](Nc1cccc2c1CN(CCC)C2)C(=O)OC ZINC000887309302 647265418 /nfs/dbraw/zinc/26/54/18/647265418.db2.gz RVDWBYABCHIQEX-INIZCTEOSA-N 0 1 288.391 2.942 20 30 CFEDMN C=CCCC[C@H](C(=O)NCc1n[nH]c(C)n1)c1ccccc1 ZINC000889697208 647656883 /nfs/dbraw/zinc/65/68/83/647656883.db2.gz BFGSJIMNYKEXGM-HNNXBMFYSA-N 0 1 298.390 2.869 20 30 CFEDMN COC(=O)[C@H](C)/N=C/c1cc(Cl)cc(Cl)c1O ZINC000005334636 647847433 /nfs/dbraw/zinc/84/74/33/647847433.db2.gz BNFZTKJOSZTKDG-JHKKWMAKSA-N 0 1 276.119 2.679 20 30 CFEDMN C=CCOCCN[C@@H]1CCc2c1nccc2Cl ZINC000926114690 648408389 /nfs/dbraw/zinc/40/83/89/648408389.db2.gz GBZUZPHJPCETRY-GFCCVEGCSA-N 0 1 252.745 2.515 20 30 CFEDMN COc1ccc(CN[C@@H](C)CC(C)(C)C#N)c(OC)n1 ZINC000926458837 648495183 /nfs/dbraw/zinc/49/51/83/648495183.db2.gz USJGQPCXEIPMSO-NSHDSACASA-N 0 1 277.368 2.517 20 30 CFEDMN CC[C@H]([NH2+]C[C@H](C)CN(C)C)c1cccc(C#N)c1[O-] ZINC000926474032 648500872 /nfs/dbraw/zinc/50/08/72/648500872.db2.gz NISTZGHYCRKQMP-WFASDCNBSA-N 0 1 275.396 2.502 20 30 CFEDMN C=C(C)C[C@H](CO)N[C@H]1COCc2cccc(Cl)c21 ZINC000926866052 648638475 /nfs/dbraw/zinc/63/84/75/648638475.db2.gz VBTWOLVIUUFYRF-OCCSQVGLSA-N 0 1 281.783 2.828 20 30 CFEDMN C#CCN1CCC(NC(=O)C[C@H](C=C)c2ccccc2)CC1 ZINC000928654600 648938615 /nfs/dbraw/zinc/93/86/15/648938615.db2.gz IZKWYLZWVPMIJF-INIZCTEOSA-N 0 1 296.414 2.560 20 30 CFEDMN C#CCN1CCC(NC(=O)c2sccc2C(F)F)CC1 ZINC000928660948 648939691 /nfs/dbraw/zinc/93/96/91/648939691.db2.gz VGTDEIBWDSUDCC-UHFFFAOYSA-N 0 1 298.358 2.513 20 30 CFEDMN COC(=O)[C@H]1CCCC[C@@H]1CN(CCC#N)CC1CC1 ZINC000929775542 649118352 /nfs/dbraw/zinc/11/83/52/649118352.db2.gz NMBNKWIPWMIZOE-CABCVRRESA-N 0 1 278.396 2.591 20 30 CFEDMN COCCN(CCC#N)CC1CCC2(CC2)CC1 ZINC000929782453 649120835 /nfs/dbraw/zinc/12/08/35/649120835.db2.gz YOCXMPIPLRQWQV-UHFFFAOYSA-N 0 1 250.386 2.819 20 30 CFEDMN N#CC[C@@H](O)C[N@H+]1CCCC[C@@H]1c1cc2ccccc2[nH]1 ZINC000929970740 649157519 /nfs/dbraw/zinc/15/75/19/649157519.db2.gz ZSCWVPFQQQLPNJ-RHSMWYFYSA-N 0 1 283.375 2.969 20 30 CFEDMN N#CC[C@@H](O)CN1CCCC[C@@H]1c1cc2ccccc2[nH]1 ZINC000929970740 649157522 /nfs/dbraw/zinc/15/75/22/649157522.db2.gz ZSCWVPFQQQLPNJ-RHSMWYFYSA-N 0 1 283.375 2.969 20 30 CFEDMN C=CCN(CC1CCC2(CC2)CC1)[C@H]1CCS(=O)(=O)C1 ZINC000929977048 649159446 /nfs/dbraw/zinc/15/94/46/649159446.db2.gz RAHQJHWOYKUSGK-HNNXBMFYSA-N 0 1 297.464 2.632 20 30 CFEDMN Cc1cc(C#N)cc(C)c1CN1CCOCC12CCC2 ZINC000930065092 649177173 /nfs/dbraw/zinc/17/71/73/649177173.db2.gz HJPJQCFHYXTMAQ-UHFFFAOYSA-N 0 1 270.376 2.930 20 30 CFEDMN CC1CC(CN2CCO[C@H](c3cccc(C#N)c3)C2)C1 ZINC000930133666 649192059 /nfs/dbraw/zinc/19/20/59/649192059.db2.gz BOGFJSAPUREHPC-PGEKIEPBSA-N 0 1 270.376 2.978 20 30 CFEDMN Cc1cc(C)cc(C2=CCN(C[C@H](O)CC#N)CC2)c1 ZINC000930164590 649195845 /nfs/dbraw/zinc/19/58/45/649195845.db2.gz ACXORSFMCAFODI-QGZVFWFLSA-N 0 1 270.376 2.667 20 30 CFEDMN CCCN1CCCN(CCCCC2(C#N)CCC2)CC1=O ZINC000930254410 649216113 /nfs/dbraw/zinc/21/61/13/649216113.db2.gz QCBVYEZTXYUJBT-UHFFFAOYSA-N 0 1 291.439 2.795 20 30 CFEDMN CC[C@@H]1CN(CC2CCC(C#N)CC2)C[C@H](C)[S@]1=O ZINC000930455497 649251740 /nfs/dbraw/zinc/25/17/40/649251740.db2.gz PFLYKRYFHZOEJH-UKFUMPODSA-N 0 1 282.453 2.548 20 30 CFEDMN CCN(CCC#N)C(=O)c1ccc(CN2CCCCC2)o1 ZINC000930466431 649254411 /nfs/dbraw/zinc/25/44/11/649254411.db2.gz IJEIFRXZKPRAAU-UHFFFAOYSA-N 0 1 289.379 2.641 20 30 CFEDMN COCC[C@@H]1COCCN1CCCCC1(C#N)CCC1 ZINC000930536329 649268823 /nfs/dbraw/zinc/26/88/23/649268823.db2.gz UYCXFPCVHMCFJA-OAHLLOKOSA-N 0 1 280.412 2.588 20 30 CFEDMN C[C@@H](CCC#N)N[C@H]1c2sccc2OC(C)(C)[C@@H]1O ZINC000930547396 649271296 /nfs/dbraw/zinc/27/12/96/649271296.db2.gz MEUIMGKCYBNYMS-XHVZSJERSA-N 0 1 280.393 2.603 20 30 CFEDMN N#Cc1cncc(CN2CCC[C@@H](c3ccccn3)C2)c1 ZINC000930570702 649276380 /nfs/dbraw/zinc/27/63/80/649276380.db2.gz SJVKEBFJGOCVIY-MRXNPFEDSA-N 0 1 278.359 2.728 20 30 CFEDMN Cc1cc(C#N)cc(C)c1CN1C[C@H](C)N(CC#N)[C@@H](C)C1 ZINC000930829372 649333490 /nfs/dbraw/zinc/33/34/90/649333490.db2.gz UBACBBZXMWCMGA-HOTGVXAUSA-N 0 1 296.418 2.593 20 30 CFEDMN C=CCC1(NCc2nnc(OC)s2)CCCC1 ZINC000931020245 649365815 /nfs/dbraw/zinc/36/58/15/649365815.db2.gz CETDPKOHJXSTND-UHFFFAOYSA-N 0 1 253.371 2.525 20 30 CFEDMN N#CC1CCC(CN2CCO[C@H](CC(F)(F)F)C2)CC1 ZINC000931072235 649375478 /nfs/dbraw/zinc/37/54/78/649375478.db2.gz HOJVUMJAFIJRCN-WXRRBKDZSA-N 0 1 290.329 2.970 20 30 CFEDMN CCc1ncc(CN2CCC(c3ccc(C#N)cn3)CC2)o1 ZINC000931113815 649381661 /nfs/dbraw/zinc/38/16/61/649381661.db2.gz XDSQKXJRHVUIQV-UHFFFAOYSA-N 0 1 296.374 2.883 20 30 CFEDMN C#Cc1ccc(NC(=O)CCN(C)[C@@H]2CCC[C@@H]2C#N)cc1 ZINC000931476712 649438148 /nfs/dbraw/zinc/43/81/48/649438148.db2.gz RAIBWIMQJRZZHP-NVXWUHKLSA-N 0 1 295.386 2.621 20 30 CFEDMN CC[C@H](CO)N(Cc1ccccc1)Cc1cncc(C#N)c1 ZINC000931565079 649455590 /nfs/dbraw/zinc/45/55/90/649455590.db2.gz DCULPDCKRBKQHB-GOSISDBHSA-N 0 1 295.386 2.726 20 30 CFEDMN C#CCCCCCN1CCc2nc[nH]c2C12CCC2 ZINC000931677194 649469557 /nfs/dbraw/zinc/46/95/57/649469557.db2.gz YXGYMBPPCFTNBX-UHFFFAOYSA-N 0 1 257.381 2.841 20 30 CFEDMN N#Cc1cncc(CN2C[C@H]3C[C@@]3(c3ccccc3)C2)c1 ZINC000931921513 649510650 /nfs/dbraw/zinc/51/06/50/649510650.db2.gz AFWFXZDWWHWGRR-MSOLQXFVSA-N 0 1 275.355 2.727 20 30 CFEDMN CC(C)(C)OC(=O)N[C@H]1CCCN([C@H]2CC[C@H](C#N)C2)C1 ZINC000931983801 649521019 /nfs/dbraw/zinc/52/10/19/649521019.db2.gz MOHMPYKJVFECSE-IHRRRGAJSA-N 0 1 293.411 2.668 20 30 CFEDMN Cn1ccc([C@H]2CCCN(Cc3ccc(C#N)s3)C2)n1 ZINC000932130242 649545252 /nfs/dbraw/zinc/54/52/52/649545252.db2.gz KWQSBQJDOPKAIL-LBPRGKRZSA-N 0 1 286.404 2.733 20 30 CFEDMN Cn1ccc([C@H]2CCCN(Cc3ccc(C#N)c(F)c3)C2)n1 ZINC000932135973 649547841 /nfs/dbraw/zinc/54/78/41/649547841.db2.gz JVFCWVQNZCIDLN-HNNXBMFYSA-N 0 1 298.365 2.810 20 30 CFEDMN Cn1ccc(C2CCN(Cc3ccccc3C#N)CC2)n1 ZINC000932141993 649549551 /nfs/dbraw/zinc/54/95/51/649549551.db2.gz GPVLPSSLMATTBV-UHFFFAOYSA-N 0 1 280.375 2.671 20 30 CFEDMN Cn1ccc(C2CCN(Cc3ccc(F)c(C#N)c3)CC2)n1 ZINC000932145776 649549927 /nfs/dbraw/zinc/54/99/27/649549927.db2.gz YBOIBTNVQVTEJN-UHFFFAOYSA-N 0 1 298.365 2.810 20 30 CFEDMN C=CCCCN(CC)C(=O)Nc1cc(CN(C)C)ccn1 ZINC000932168703 649557883 /nfs/dbraw/zinc/55/78/83/649557883.db2.gz HUIMQCLOPZBPHD-UHFFFAOYSA-N 0 1 290.411 2.963 20 30 CFEDMN N#Cc1cncc(CN2CCC[C@@H](Cc3nccs3)C2)c1 ZINC000932196711 649562335 /nfs/dbraw/zinc/56/23/35/649562335.db2.gz ZGOMRFNGNLCPBV-ZDUSSCGKSA-N 0 1 298.415 2.864 20 30 CFEDMN COC(C)(C)[C@@H](C)NCc1ccc(F)cc1C#N ZINC000932368521 649586152 /nfs/dbraw/zinc/58/61/52/649586152.db2.gz GXRVIAKCBXKZPQ-SNVBAGLBSA-N 0 1 250.317 2.600 20 30 CFEDMN Cc1cc(C#N)ccc1CN1CCC[C@H]1C(=O)NC(C)(C)C ZINC000932435178 649599873 /nfs/dbraw/zinc/59/98/73/649599873.db2.gz RWZMJGGUCDPUKK-INIZCTEOSA-N 0 1 299.418 2.746 20 30 CFEDMN Cc1cc(C#N)ccc1CN1CCOC[C@@H]1CC1CC1 ZINC000933207420 649679431 /nfs/dbraw/zinc/67/94/31/649679431.db2.gz CHULYHIIUFMACH-KRWDZBQOSA-N 0 1 270.376 2.868 20 30 CFEDMN N#CCCCN[C@H](CO)c1ccccc1C(F)(F)F ZINC000933244615 649681544 /nfs/dbraw/zinc/68/15/44/649681544.db2.gz YXUYNBGGJWAQFJ-GFCCVEGCSA-N 0 1 272.270 2.632 20 30 CFEDMN C[C@@H](NCc1cncc(C#N)c1)c1ccc2c(c1)CCO2 ZINC000933487274 649697194 /nfs/dbraw/zinc/69/71/94/649697194.db2.gz PFRAGEOBFXAIHF-GFCCVEGCSA-N 0 1 279.343 2.739 20 30 CFEDMN COc1cc(CN2CCC(c3ccc(C#N)cc3)CC2)on1 ZINC000933607425 649705865 /nfs/dbraw/zinc/70/58/65/649705865.db2.gz PQYJILSDXFRMQK-UHFFFAOYSA-N 0 1 297.358 2.934 20 30 CFEDMN CC(C)(C#N)CCCC[N@H+]1CCOC[C@@H]1C[C@@H]1CCCO1 ZINC000933682136 649713628 /nfs/dbraw/zinc/71/36/28/649713628.db2.gz URUCGDJWFWZLKR-HOTGVXAUSA-N 0 1 294.439 2.976 20 30 CFEDMN N#CCC[C@@H](C#N)CN[C@@H]1CCOC12CCCCC2 ZINC000933876953 649728261 /nfs/dbraw/zinc/72/82/61/649728261.db2.gz PLPRTCGHCVYCCN-UONOGXRCSA-N 0 1 261.369 2.511 20 30 CFEDMN CO[C@@H]1CC[C@H]1N(C)CC#Cc1ccc(Cl)cc1 ZINC000934103492 649749050 /nfs/dbraw/zinc/74/90/50/649749050.db2.gz BHRNOZBBQKNLNZ-HUUCEWRRSA-N 0 1 263.768 2.801 20 30 CFEDMN CO[C@@H]1CC[C@@H]1N(C)CC#Cc1ccc(Cl)cc1 ZINC000934103494 649749194 /nfs/dbraw/zinc/74/91/94/649749194.db2.gz BHRNOZBBQKNLNZ-LSDHHAIUSA-N 0 1 263.768 2.801 20 30 CFEDMN CO[C@H]1CC[C@H]1N(C)Cc1cc(Cl)ccc1OCC#N ZINC000934133445 649754386 /nfs/dbraw/zinc/75/43/86/649754386.db2.gz ZCQNDQUKAVQFEP-HIFRSBDPSA-N 0 1 294.782 2.852 20 30 CFEDMN COc1ccc([C@H]2CCCN2CC2(CC#N)CC2)nc1 ZINC000934341714 649777590 /nfs/dbraw/zinc/77/75/90/649777590.db2.gz PCLUNPBKTWLNHO-OAHLLOKOSA-N 0 1 271.364 2.921 20 30 CFEDMN C=CC[C@H]1CCN1[C@H](C(=O)NC1CC1)c1ccccc1 ZINC000934464819 649788590 /nfs/dbraw/zinc/78/85/90/649788590.db2.gz AINVVWWHSWJROJ-HOTGVXAUSA-N 0 1 270.376 2.657 20 30 CFEDMN C=CC[C@@H]1CCN1CC(=O)N(Cc1ccc(C)o1)C1CC1 ZINC000934468833 649789722 /nfs/dbraw/zinc/78/97/22/649789722.db2.gz KPERVVNZTBKVSA-CQSZACIVSA-N 0 1 288.391 2.729 20 30 CFEDMN C=CC[C@H]1CCN1[C@H](C)C(=O)N1CCc2ccccc21 ZINC000934472617 649790987 /nfs/dbraw/zinc/79/09/87/649790987.db2.gz ORNIXLDNWSRXAS-HIFRSBDPSA-N 0 1 270.376 2.615 20 30 CFEDMN C#C[C@@H](NCc1cc(Cl)ccc1[N+](=O)[O-])C(C)C ZINC000305909323 651086664 /nfs/dbraw/zinc/08/66/64/651086664.db2.gz HHSOMKVJMWKIJS-GFCCVEGCSA-N 0 1 266.728 2.996 20 30 CFEDMN C=C(C)CN1CCC[C@H](NC(=O)c2cccc(C)c2)C1 ZINC001006630373 651127532 /nfs/dbraw/zinc/12/75/32/651127532.db2.gz INSODSDYSWIPIR-INIZCTEOSA-N 0 1 272.392 2.765 20 30 CFEDMN C=CCN1CCC[C@@H](NC(=O)c2ccc3cc(C)cn3c2)C1 ZINC001007472112 651136046 /nfs/dbraw/zinc/13/60/46/651136046.db2.gz JDOCPJLFSUMVND-MRXNPFEDSA-N 0 1 297.402 2.628 20 30 CFEDMN C=CCN1CCC[C@@H](NC(=O)c2ccc3oc(C)nc3c2)C1 ZINC001007576850 651136383 /nfs/dbraw/zinc/13/63/83/651136383.db2.gz ARGKKJYQMFVNIB-CQSZACIVSA-N 0 1 299.374 2.516 20 30 CFEDMN C=CCN1CCC[C@H](NC(=O)c2cc(F)c(C)cc2F)C1 ZINC001007538652 651136609 /nfs/dbraw/zinc/13/66/09/651136609.db2.gz WEYOBMHADMFICP-LBPRGKRZSA-N 0 1 294.345 2.653 20 30 CFEDMN C=CCN1CCC[C@@H](NC(=O)c2cn(C)c3ccccc23)C1 ZINC001007820092 651139229 /nfs/dbraw/zinc/13/92/29/651139229.db2.gz ADYGUCTYBLLHGA-CQSZACIVSA-N 0 1 297.402 2.559 20 30 CFEDMN C=C(C)CN1CCC[C@@H](NC(=O)c2c(C)oc(C)c2C)C1 ZINC001007859860 651139689 /nfs/dbraw/zinc/13/96/89/651139689.db2.gz QUQPLYNCKRCYCR-OAHLLOKOSA-N 0 1 290.407 2.975 20 30 CFEDMN C=C(C)CN1CCC[C@@H](NC(=O)[C@H]2CC[C@@H]3C[C@@H]3CC2)C1 ZINC001008032702 651141216 /nfs/dbraw/zinc/14/12/16/651141216.db2.gz PELWRBSKPRMMME-YYIAUSFCSA-N 0 1 290.451 2.969 20 30 CFEDMN C=C(C)CN1CCC[C@@H](NC(=O)c2cc[nH]c2C(C)C)C1 ZINC001008249051 651145146 /nfs/dbraw/zinc/14/51/46/651145146.db2.gz ALRVTXWGPUXMSF-CQSZACIVSA-N 0 1 289.423 2.908 20 30 CFEDMN C=C(C)CN1CCC[C@@H](NC(=O)[C@H]2CCC2(C)C)C1 ZINC001008256415 651145750 /nfs/dbraw/zinc/14/57/50/651145750.db2.gz PHTCVYBJZQIULG-ZIAGYGMSSA-N 0 1 264.413 2.579 20 30 CFEDMN C#CCCN1CCC[C@H](NC(=O)c2ccsc2Cl)C1 ZINC001008762638 651153652 /nfs/dbraw/zinc/15/36/52/651153652.db2.gz VMWDSGWTMISNHX-NSHDSACASA-N 0 1 296.823 2.619 20 30 CFEDMN C=C(C)CN1CCC[C@@H](NC(=O)c2cncc(Cl)c2)C1 ZINC001008863495 651154727 /nfs/dbraw/zinc/15/47/27/651154727.db2.gz PAGCPDODFAVCCJ-CQSZACIVSA-N 0 1 293.798 2.505 20 30 CFEDMN C=C(C)CN1CCC[C@@H](NC(=O)c2cc(C)c(CC)o2)C1 ZINC001009180239 651156975 /nfs/dbraw/zinc/15/69/75/651156975.db2.gz HWSOLXLGPOMDPY-CQSZACIVSA-N 0 1 290.407 2.921 20 30 CFEDMN C=CCN1CCC[C@H](NC(=O)C23CCC(CC2)CC3)C1 ZINC001009610924 651162586 /nfs/dbraw/zinc/16/25/86/651162586.db2.gz MEYCOFAMAXTHEG-CKDBGZEDSA-N 0 1 276.424 2.723 20 30 CFEDMN C=CCN1CCC[C@H](NC(=O)[C@H](C)c2ccccc2C)C1 ZINC001009602046 651162775 /nfs/dbraw/zinc/16/27/75/651162775.db2.gz JWEPUFNBKKGCRQ-CVEARBPZSA-N 0 1 286.419 2.865 20 30 CFEDMN C=CCN1CCC[C@@H](NC(=O)c2ccoc2C(C)C)C1 ZINC001009694166 651163626 /nfs/dbraw/zinc/16/36/26/651163626.db2.gz YIHWZTDHWBSKPR-CYBMUJFWSA-N 0 1 276.380 2.783 20 30 CFEDMN C=CCN1CC[C@H](NC(=O)c2ccc3nccc(C)c3c2)C1 ZINC001014574855 651189138 /nfs/dbraw/zinc/18/91/38/651189138.db2.gz YCXWKOHEGGNYLB-HNNXBMFYSA-N 0 1 295.386 2.533 20 30 CFEDMN C=CCN1CC[C@@H](NC(=O)c2ccc3nccc(C)c3c2)C1 ZINC001014574865 651189154 /nfs/dbraw/zinc/18/91/54/651189154.db2.gz YCXWKOHEGGNYLB-OAHLLOKOSA-N 0 1 295.386 2.533 20 30 CFEDMN C=C(C)CN1CC[C@H](NC(=O)c2sc(C)cc2C)C1 ZINC001014590527 651189696 /nfs/dbraw/zinc/18/96/96/651189696.db2.gz QZRIRVNBHQHNLC-ZDUSSCGKSA-N 0 1 278.421 2.745 20 30 CFEDMN C=CCN1CC[C@H](NC(=O)[C@H]2CC[C@H](C3CCC3)CC2)C1 ZINC001014784108 651192195 /nfs/dbraw/zinc/19/21/95/651192195.db2.gz IELAGBBAMOKHLN-ULQDDVLXSA-N 0 1 290.451 2.969 20 30 CFEDMN C=CCN1CC[C@H](NC(=O)c2cc(C3CC3)[nH]c2C2CC2)C1 ZINC001014940556 651194193 /nfs/dbraw/zinc/19/41/93/651194193.db2.gz ZRWIHOPWFZJQKC-AWEZNQCLSA-N 0 1 299.418 2.760 20 30 CFEDMN C=CCN1CC[C@@H](NC(=O)c2cc(F)cc3ccoc32)C1 ZINC001015019756 651194712 /nfs/dbraw/zinc/19/47/12/651194712.db2.gz RIVRUMGFTFRVBJ-CYBMUJFWSA-N 0 1 288.322 2.562 20 30 CFEDMN C=CCN1CC[C@H](NC(=O)c2cc(C)c3ccccc3n2)C1 ZINC001014978773 651194837 /nfs/dbraw/zinc/19/48/37/651194837.db2.gz NDOWUVDKKMDLHJ-AWEZNQCLSA-N 0 1 295.386 2.533 20 30 CFEDMN CC#CCN1CC[C@@H](NC(=O)Cc2cccc(C(C)C)c2)C1 ZINC001015094647 651195190 /nfs/dbraw/zinc/19/51/90/651195190.db2.gz STXNFBZTTDKMHP-GOSISDBHSA-N 0 1 298.430 2.566 20 30 CFEDMN C=CCN1CC[C@@H](NC(=O)Cc2cccc(C(F)F)c2)C1 ZINC001015246483 651198265 /nfs/dbraw/zinc/19/82/65/651198265.db2.gz KBORLABYIOINHZ-CQSZACIVSA-N 0 1 294.345 2.543 20 30 CFEDMN C=CCN1CC[C@@H](NC(=O)c2cc(C)ccc2C2CC2)C1 ZINC001015382048 651199818 /nfs/dbraw/zinc/19/98/18/651199818.db2.gz LSGVPAOJJKXBGZ-OAHLLOKOSA-N 0 1 284.403 2.863 20 30 CFEDMN C=CCN1CC[C@H](NC(=O)c2ccc(C(C)C)nc2C)C1 ZINC001015717458 651210086 /nfs/dbraw/zinc/21/00/86/651210086.db2.gz UTEHBFSRDUDIIF-AWEZNQCLSA-N 0 1 287.407 2.504 20 30 CFEDMN C=CCN1CC[C@@H](NC(=O)CC2CCCCCC2)C1 ZINC001015764526 651213233 /nfs/dbraw/zinc/21/32/33/651213233.db2.gz ZPNNXVLOPDCUFL-OAHLLOKOSA-N 0 1 264.413 2.723 20 30 CFEDMN C=C(C)CN1CC[C@@H](NC(=O)c2cc3sccc3[nH]2)C1 ZINC001015941693 651218113 /nfs/dbraw/zinc/21/81/13/651218113.db2.gz CCBOEPPUZAHFQO-LLVKDONJSA-N 0 1 289.404 2.610 20 30 CFEDMN C=CCN1CC[C@H](NC(=O)c2ccc(C(F)(F)F)cc2)C1 ZINC001016068769 651223207 /nfs/dbraw/zinc/22/32/07/651223207.db2.gz NLSLWLRSUVGMCZ-ZDUSSCGKSA-N 0 1 298.308 2.696 20 30 CFEDMN C#CCCN1CC[C@H](NC(=O)c2sccc2C(C)C)C1 ZINC001016320089 651230236 /nfs/dbraw/zinc/23/02/36/651230236.db2.gz HULJFRYEFFBPKU-ZDUSSCGKSA-N 0 1 290.432 2.699 20 30 CFEDMN C=CCN1CC[C@@H](NC(=O)C2(c3ccc(C)cc3)CCC2)C1 ZINC001016370355 651232348 /nfs/dbraw/zinc/23/23/48/651232348.db2.gz COLFNIJPDBLJPK-QGZVFWFLSA-N 0 1 298.430 2.793 20 30 CFEDMN C=C(C)CN1CC[C@H](NC(=O)C2(C)C(C)(C)C2(C)C)C1 ZINC001016418161 651233528 /nfs/dbraw/zinc/23/35/28/651233528.db2.gz YLIUZZOVKYONFG-ZDUSSCGKSA-N 0 1 278.440 2.825 20 30 CFEDMN C=C(C)CN1C[C@H]2CC[C@@H](C1)N2C(=O)Cc1cccs1 ZINC001017303328 651249136 /nfs/dbraw/zinc/24/91/36/651249136.db2.gz IAFCMLSQFNABAS-OKILXGFUSA-N 0 1 290.432 2.542 20 30 CFEDMN C#CCCN1C[C@H]2CC[C@@H](C1)N2C(=O)C=C1CCCCC1 ZINC001017397141 651251497 /nfs/dbraw/zinc/25/14/97/651251497.db2.gz HADBANVLKQTLCN-CALCHBBNSA-N 0 1 286.419 2.575 20 30 CFEDMN C=CCCN1C[C@H]2CC[C@@H](C1)N2C(=O)c1cscc1C ZINC001017451915 651251725 /nfs/dbraw/zinc/25/17/25/651251725.db2.gz PPKJJTOYLMFPRC-OKILXGFUSA-N 0 1 290.432 2.921 20 30 CFEDMN C=CCCN1C[C@H]2CC[C@@H](C1)N2C(=O)C1(C)CCCC1 ZINC001017777969 651257492 /nfs/dbraw/zinc/25/74/92/651257492.db2.gz CDLQAQRDEHDPFO-GASCZTMLSA-N 0 1 276.424 2.818 20 30 CFEDMN C=C(C)CCN1C[C@H]2CC[C@@H](C1)N2C(=O)[C@H](F)C(C)C ZINC001017823760 651259189 /nfs/dbraw/zinc/25/91/89/651259189.db2.gz PTFMZHCTVGKYEL-QLFBSQMISA-N 0 1 282.403 2.622 20 30 CFEDMN C#CCCN1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1CCC(C)(C)C1 ZINC001017906599 651261547 /nfs/dbraw/zinc/26/15/47/651261547.db2.gz AEFQQJUJWFQBOM-OAGGEKHMSA-N 0 1 288.435 2.511 20 30 CFEDMN C#CCCN1C[C@H]2CC[C@@H](C1)N2C(=O)c1ccc(C=C)cc1 ZINC001017987342 651263168 /nfs/dbraw/zinc/26/31/68/651263168.db2.gz MVUHANJGRMZHNI-HDICACEKSA-N 0 1 294.398 2.642 20 30 CFEDMN C=C(C)CN1C[C@H]2CC[C@@H](C1)N2C(=O)Cc1ccccc1C ZINC001018253151 651267786 /nfs/dbraw/zinc/26/77/86/651267786.db2.gz JGIOMSQKNUKETG-HDICACEKSA-N 0 1 298.430 2.789 20 30 CFEDMN C=C(Cl)CN[C@H]1CCN(C(=O)CCC2CCCC2)C1 ZINC001018445194 651271568 /nfs/dbraw/zinc/27/15/68/651271568.db2.gz FPWLNSOSVBOKJC-AWEZNQCLSA-N 0 1 284.831 2.900 20 30 CFEDMN C=C(Cl)CN[C@H]1CCN(C(=O)[C@@H]2CCCC3(CC3)C2)C1 ZINC001018843900 651276572 /nfs/dbraw/zinc/27/65/72/651276572.db2.gz UQQCONZYNJIQSO-KGLIPLIRSA-N 0 1 296.842 2.900 20 30 CFEDMN C=C(Cl)CN[C@H]1CCN(C(=O)c2cc[nH]c2CCC)C1 ZINC001019271550 651282467 /nfs/dbraw/zinc/28/24/67/651282467.db2.gz QGYZNTJJMCCDIT-LBPRGKRZSA-N 0 1 295.814 2.524 20 30 CFEDMN CC(C)c1ccc(C#N)c(N2C[C@@H](C)N(C)C[C@H]2C)n1 ZINC001164631723 719160399 /nfs/dbraw/zinc/16/03/99/719160399.db2.gz BWNXXXLYBYFIMA-CHWSQXEVSA-N 0 1 272.396 2.605 20 30 CFEDMN N#Cc1cc(Cl)cnc1N1CCN(C2CCCC2)CC1 ZINC001165032025 721858739 /nfs/dbraw/zinc/85/87/39/721858739.db2.gz JWNFJUATSJBIRA-UHFFFAOYSA-N 0 1 290.798 2.671 20 30 CFEDMN C=CCC[N@@H+]1CC[C@H]1CN(C)C(=O)c1ncoc1C(C)C ZINC001085910772 782201437 /nfs/dbraw/zinc/20/14/37/782201437.db2.gz OOGAPSOZLKIUOK-ZDUSSCGKSA-N 0 1 291.395 2.520 20 30 CFEDMN C=CCCN1CC[C@H]1CN(C)C(=O)c1ncoc1C(C)C ZINC001085910772 782201444 /nfs/dbraw/zinc/20/14/44/782201444.db2.gz OOGAPSOZLKIUOK-ZDUSSCGKSA-N 0 1 291.395 2.520 20 30 CFEDMN C=C(C)CN1CC[C@@H]1CN(C)C(=O)[C@@H]1CC12CCCC2 ZINC001085909167 782201595 /nfs/dbraw/zinc/20/15/95/782201595.db2.gz BVGVLRZOFYWLGD-CABCVRRESA-N 0 1 276.424 2.676 20 30 CFEDMN C=CCCN1CC[C@H]1CN(C)C(=O)c1cc(C)c(CC)o1 ZINC001085921445 782202516 /nfs/dbraw/zinc/20/25/16/782202516.db2.gz CTUPPLKFINZXAR-AWEZNQCLSA-N 0 1 290.407 2.873 20 30 CFEDMN C=CCCN1CC[C@@H]1CN(C)C(=O)c1ccc(C(F)F)o1 ZINC001085949346 782214102 /nfs/dbraw/zinc/21/41/02/782214102.db2.gz BWOGNMIVGYYGIV-LLVKDONJSA-N 0 1 298.333 2.940 20 30 CFEDMN C#CCCN1CC[C@@H]1CN(C)C(=O)c1ccc(C2CC2)cc1 ZINC001085982377 782225807 /nfs/dbraw/zinc/22/58/07/782225807.db2.gz IGEGZMGKERCLQD-GOSISDBHSA-N 0 1 296.414 2.734 20 30 CFEDMN C#CCCN1CC[C@H]1CN(C)C(=O)[C@@H]1CCCCC1(C)C ZINC001085991789 782230326 /nfs/dbraw/zinc/23/03/26/782230326.db2.gz VOSMIDMOVQMJBR-HOTGVXAUSA-N 0 1 290.451 2.759 20 30 CFEDMN C=CCN1CC[C@H]1CN(C)C(=O)c1c[nH]c2ccc(C)cc21 ZINC001085990452 782229879 /nfs/dbraw/zinc/22/98/79/782229879.db2.gz QBBCSSNDTNDTLL-AWEZNQCLSA-N 0 1 297.402 2.809 20 30 CFEDMN COc1nc(C)nc(-c2ccc(Cl)c(O)c2)c1C#N ZINC001243576918 782287667 /nfs/dbraw/zinc/28/76/67/782287667.db2.gz XOWRZTCCLCMFSZ-UHFFFAOYSA-N 0 1 275.695 2.691 20 30 CFEDMN Cc1cc(-c2cc3[nH]cnc3c(C#N)n2)ccc1F ZINC001241277052 782278406 /nfs/dbraw/zinc/27/84/06/782278406.db2.gz FDTWSFXPHGQQHT-UHFFFAOYSA-N 0 1 252.252 2.944 20 30 CFEDMN CC#CCN1CC[C@@H](NC(=O)[C@@H](CCCC)C(C)C)C1 ZINC001266361575 770022322 /nfs/dbraw/zinc/02/23/22/770022322.db2.gz OUIYDVMQMCOINQ-CVEARBPZSA-N 0 1 278.440 2.663 20 30 CFEDMN C=C[C@H](CC)Oc1[nH]c(=O)nc2cccc(OC)c21 ZINC001229240105 776763176 /nfs/dbraw/zinc/76/31/76/776763176.db2.gz TZTUSTXVXDPQDG-SECBINFHSA-N 0 1 260.293 2.687 20 30 CFEDMN C=C(C)CN1CC(CNC(=O)c2ccccc2C2(C)CC2)C1 ZINC001031971031 779691235 /nfs/dbraw/zinc/69/12/35/779691235.db2.gz CRNIBCYTFZJRSN-UHFFFAOYSA-N 0 1 298.430 2.976 20 30 CFEDMN C=CC[N@@H+]1CC[C@H](N(CC)C(=O)c2ccn3ccccc23)C1 ZINC001033894410 780819511 /nfs/dbraw/zinc/81/95/11/780819511.db2.gz HBVLNTCJZGATDO-HNNXBMFYSA-N 0 1 297.402 2.662 20 30 CFEDMN C=CCN1CC[C@H](N(CC)C(=O)c2ccn3ccccc23)C1 ZINC001033894410 780819521 /nfs/dbraw/zinc/81/95/21/780819521.db2.gz HBVLNTCJZGATDO-HNNXBMFYSA-N 0 1 297.402 2.662 20 30 CFEDMN C=CCN1CC[C@@H](N(CC)C(=O)c2cc[nH]c2C2CC2)C1 ZINC001033934302 780833259 /nfs/dbraw/zinc/83/32/59/780833259.db2.gz QTELEYJAPCQVRN-CQSZACIVSA-N 0 1 287.407 2.615 20 30 CFEDMN C=C(Cl)CN[C@@H]1CCCN(C(=O)CCC(C)(F)F)C1 ZINC001208436167 769907293 /nfs/dbraw/zinc/90/72/93/769907293.db2.gz YHINSOHLZLBOMK-LLVKDONJSA-N 0 1 294.773 2.755 20 30 CFEDMN C=C/C(C)=C/CC(=O)N1CCC[C@H](NCC(=C)Cl)C1 ZINC001209053928 769988439 /nfs/dbraw/zinc/98/84/39/769988439.db2.gz XYZIBBPQBLYLOC-GMMCIKNFSA-N 0 1 282.815 2.842 20 30 CFEDMN CC#CCN1CC[C@@H](NC(=O)CC[C@@H](C)c2ccccc2)C1 ZINC001266344669 769993973 /nfs/dbraw/zinc/99/39/73/769993973.db2.gz KPLABAAELAJMRD-SJLPKXTDSA-N 0 1 298.430 2.784 20 30 CFEDMN C=CCCCCCN1Cc2ncn(C)c2[C@@H](COC)C1 ZINC001209422762 770075533 /nfs/dbraw/zinc/07/55/33/770075533.db2.gz HVRKVLITENUADG-CQSZACIVSA-N 0 1 277.412 2.712 20 30 CFEDMN C=CCCCCCCN1CCC(S(C)(=O)=O)CC1 ZINC001209436163 770087561 /nfs/dbraw/zinc/08/75/61/770087561.db2.gz OEQIMBVBZJYVBP-UHFFFAOYSA-N 0 1 273.442 2.632 20 30 CFEDMN C=CCCCCCCCN1CCN(C(=O)OC)CC1 ZINC001209438580 770090130 /nfs/dbraw/zinc/09/01/30/770090130.db2.gz OMIROSMFZHGAQB-UHFFFAOYSA-N 0 1 268.401 2.897 20 30 CFEDMN C=CCCC(=O)NC[C@@H]1CCCN1Cc1cccc(C#N)c1 ZINC001266449583 770167255 /nfs/dbraw/zinc/16/72/55/770167255.db2.gz AKGMFUCBCJCLEH-KRWDZBQOSA-N 0 1 297.402 2.605 20 30 CFEDMN C=CCCCC(=O)NC[C@H]1CCCN1C/C=C/Cl ZINC001266480312 770198692 /nfs/dbraw/zinc/19/86/92/770198692.db2.gz OBJVZUUBGDDDOU-YSKGHYERSA-N 0 1 270.804 2.676 20 30 CFEDMN C=C1CC(C)(C(=O)NC[C@@H]2CCCN2Cc2ccccn2)C1 ZINC001266483186 770200438 /nfs/dbraw/zinc/20/04/38/770200438.db2.gz PXHVXMXLJMUGEO-INIZCTEOSA-N 0 1 299.418 2.519 20 30 CFEDMN COc1cnccc1Nc1sc2c(c1C#N)CCC2 ZINC001211257426 770468445 /nfs/dbraw/zinc/46/84/45/770468445.db2.gz LGKMQYDTZQAJAK-UHFFFAOYSA-N 0 1 271.345 2.678 20 30 CFEDMN C=CC(C)(C)CC(=O)N(C)CCNCc1ccccc1C#N ZINC001266712198 770549164 /nfs/dbraw/zinc/54/91/64/770549164.db2.gz QVOGDOLFRZHLED-UHFFFAOYSA-N 0 1 299.418 2.709 20 30 CFEDMN CC#CCN1CC[C@H]2CC[C@@H](C1)N2C(=O)[C@@H](C)C(C)(C)C ZINC001039395155 770563941 /nfs/dbraw/zinc/56/39/41/770563941.db2.gz XVGVEPPZRIQRLR-OAGGEKHMSA-N 0 1 290.451 2.757 20 30 CFEDMN C=CCC(C)(C)C(=O)NC[C@H]1CCCCN1CC#CC ZINC001266856239 770682474 /nfs/dbraw/zinc/68/24/74/770682474.db2.gz MOYBHRQSXOWYIG-OAHLLOKOSA-N 0 1 276.424 2.583 20 30 CFEDMN C#CCCCC(=O)N1CCCC[C@@H]1[C@@H]1CCCN1CCF ZINC001266886629 770715544 /nfs/dbraw/zinc/71/55/44/770715544.db2.gz ONCBVHFVNVJUIL-JKSUJKDBSA-N 0 1 294.414 2.605 20 30 CFEDMN C=C(C)CCN1CC[C@@H]1CNC(=O)c1sccc1F ZINC001038225353 770719461 /nfs/dbraw/zinc/71/94/61/770719461.db2.gz NONUEFOEKVBLNK-LLVKDONJSA-N 0 1 282.384 2.658 20 30 CFEDMN CC(C)(C)c1cc(Nc2cnc(C#N)cn2)ccn1 ZINC001213161027 770944246 /nfs/dbraw/zinc/94/42/46/770944246.db2.gz YQMYEMXBBBGYTC-UHFFFAOYSA-N 0 1 253.309 2.784 20 30 CFEDMN C=CCCC(=O)NCCN(C)Cc1cccc(Cl)c1 ZINC001267189015 773194587 /nfs/dbraw/zinc/19/45/87/773194587.db2.gz VGAUXZPYSJMKOD-UHFFFAOYSA-N 0 1 280.799 2.854 20 30 CFEDMN C[C@]1(O)CCCN(Cc2cc(C#N)ccc2Cl)CC1 ZINC001140599742 773196129 /nfs/dbraw/zinc/19/61/29/773196129.db2.gz OMYKDTZHYRGCEQ-HNNXBMFYSA-N 0 1 278.783 2.949 20 30 CFEDMN C=CC(C)(C)CC(=O)NCCN(C)Cc1ccc(C#N)cc1 ZINC001267197978 773201870 /nfs/dbraw/zinc/20/18/70/773201870.db2.gz ZJMRZCGPVNJLKX-UHFFFAOYSA-N 0 1 299.418 2.709 20 30 CFEDMN CC#CCN(C)CCNC(=O)c1ccc(CC(C)C)s1 ZINC001267199645 773203799 /nfs/dbraw/zinc/20/37/99/773203799.db2.gz SHDVARYAZRTBNQ-UHFFFAOYSA-N 0 1 292.448 2.632 20 30 CFEDMN CC#CCN(CC)CCNC(=O)C[C@@H](C)CC(C)C ZINC001267254425 775106416 /nfs/dbraw/zinc/10/64/16/775106416.db2.gz PEBUUACCBGAKPP-HNNXBMFYSA-N 0 1 266.429 2.520 20 30 CFEDMN N#Cc1cncc(CN2CCC(C3CCC3)CC2)c1 ZINC000721535673 775138614 /nfs/dbraw/zinc/13/86/14/775138614.db2.gz KNMKWYZYWLUBHX-UHFFFAOYSA-N 0 1 255.365 2.965 20 30 CFEDMN CSC[C@H]1CCCN(Cc2cncc(C#N)c2)C1 ZINC000721541918 775142695 /nfs/dbraw/zinc/14/26/95/775142695.db2.gz WGJLESNNMQUKFX-LBPRGKRZSA-N 0 1 261.394 2.528 20 30 CFEDMN C#CCCN1CC[C@@H]1CNC(=O)CC(C)(C)c1ccccc1 ZINC001276980564 775217916 /nfs/dbraw/zinc/21/79/16/775217916.db2.gz VDJZYVZKBAGBDS-QGZVFWFLSA-N 0 1 298.430 2.568 20 30 CFEDMN CC#CCN(CCNC(=O)c1c(C)cc(C)cc1C)C1CC1 ZINC001267337222 775222200 /nfs/dbraw/zinc/22/22/00/775222200.db2.gz LXUXOUIJXQAQQX-UHFFFAOYSA-N 0 1 298.430 2.829 20 30 CFEDMN C#CCCN1CC[C@@H]1CNC(=O)C[C@@H]1CCCCC1(C)C ZINC001276986762 775232575 /nfs/dbraw/zinc/23/25/75/775232575.db2.gz ZVOLYYHWWVVFIO-JKSUJKDBSA-N 0 1 290.451 2.807 20 30 CFEDMN C#CCN[C@@H](CNC(=O)CC1CCCC1)c1ccccc1 ZINC001267346081 775233722 /nfs/dbraw/zinc/23/37/22/775233722.db2.gz KOLRJURUYAGJQG-KRWDZBQOSA-N 0 1 284.403 2.647 20 30 CFEDMN C=C1O[C@@H](C)C(=O)C1OCCCCC(=O)OC(C)(C)C ZINC001224878786 775297781 /nfs/dbraw/zinc/29/77/81/775297781.db2.gz SHBRHNMICYAVQG-JTQLQIEISA-N 0 1 284.352 2.734 20 30 CFEDMN N#CC1(CO[C@@H]2CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC001224952534 775315572 /nfs/dbraw/zinc/31/55/72/775315572.db2.gz MKIKFUYCTGHMJO-OAHLLOKOSA-N 0 1 256.349 2.581 20 30 CFEDMN C=C(Cl)CNCCN(C)C(=O)[C@@H]1CCC[C@H]1CC ZINC001267425405 775321959 /nfs/dbraw/zinc/32/19/59/775321959.db2.gz WQSUEWFDEFLDPD-CHWSQXEVSA-N 0 1 272.820 2.613 20 30 CFEDMN C=CCN1CC[C@H](N(CCC)C(=O)Cc2ccsc2)C1 ZINC001267442938 775326353 /nfs/dbraw/zinc/32/63/53/775326353.db2.gz FXVXBAFVTKWHAX-HNNXBMFYSA-N 0 1 292.448 2.790 20 30 CFEDMN C=C(Cl)CNCCN(C)C(=O)[C@H]1C[C@H]1C1CCCC1 ZINC001267448864 775331562 /nfs/dbraw/zinc/33/15/62/775331562.db2.gz PXCCCBFPULILCH-KBPBESRZSA-N 0 1 284.831 2.613 20 30 CFEDMN C=CCN1CC[C@@H](N(CCC)C(=O)c2cc(C)sn2)C1 ZINC001267460519 775341415 /nfs/dbraw/zinc/34/14/15/775341415.db2.gz WIXYWDQMUSJODT-CYBMUJFWSA-N 0 1 293.436 2.564 20 30 CFEDMN C=C1O[C@@H](C)C(=O)C1OCCc1ccc(OCC)cc1 ZINC001225071185 775350033 /nfs/dbraw/zinc/35/00/33/775350033.db2.gz OFMSSQNAHLWSKH-NSHDSACASA-N 0 1 276.332 2.864 20 30 CFEDMN C=C1O[C@H](C)C(=O)C1OCCc1ccc(OCC)cc1 ZINC001225071184 775350152 /nfs/dbraw/zinc/35/01/52/775350152.db2.gz OFMSSQNAHLWSKH-LLVKDONJSA-N 0 1 276.332 2.864 20 30 CFEDMN C#CCN1CC[C@H](N(CCC)C(=O)C[C@@H]2CC=CCC2)C1 ZINC001267475701 775374305 /nfs/dbraw/zinc/37/43/05/775374305.db2.gz PXFUCEUUXKLTRL-SJORKVTESA-N 0 1 288.435 2.679 20 30 CFEDMN C#CCN1CC[C@H](N(CCC)C(=O)C[C@H]2CC=CCC2)C1 ZINC001267475700 775374916 /nfs/dbraw/zinc/37/49/16/775374916.db2.gz PXFUCEUUXKLTRL-IRXDYDNUSA-N 0 1 288.435 2.679 20 30 CFEDMN C=C(Cl)CN1CC[C@@H](CCNC(=O)/C(C)=C/C)C1 ZINC001267513396 775407013 /nfs/dbraw/zinc/40/70/13/775407013.db2.gz JDYNUQBKXRTLIR-RVFSUOIPSA-N 0 1 270.804 2.533 20 30 CFEDMN C#CCN1CCCC[C@H]1CNC(=O)[C@@H]1CCCCC1(C)C ZINC001024818545 775428257 /nfs/dbraw/zinc/42/82/57/775428257.db2.gz YJRMHZAMGZVQQJ-HOTGVXAUSA-N 0 1 290.451 2.807 20 30 CFEDMN C[C@@H](C#C[Si](C)(C)C)Oc1cc(O)ccc1[N+](=O)[O-] ZINC001225490512 775478188 /nfs/dbraw/zinc/47/81/88/775478188.db2.gz IWPAOMZEHUVXSS-JTQLQIEISA-N 0 1 279.368 2.949 20 30 CFEDMN C=C1O[C@H](C)C(=O)C1Oc1cccc(C(F)(F)F)n1 ZINC001225705041 775567553 /nfs/dbraw/zinc/56/75/53/775567553.db2.gz JZEROTGEARCRNH-ZCFIWIBFSA-N 0 1 273.210 2.699 20 30 CFEDMN CCCCCCCCCN1CCOC[C@H]1CCO ZINC000694975982 775635658 /nfs/dbraw/zinc/63/56/58/775635658.db2.gz RDEBCXOWBHBUOV-OAHLLOKOSA-N 0 1 257.418 2.820 20 30 CFEDMN C=C1O[C@@H](C)C(=O)C1Oc1ccc(OC)c(F)c1F ZINC001225958241 775647418 /nfs/dbraw/zinc/64/74/18/775647418.db2.gz UJNFIDTWLYOVBW-LURJTMIESA-N 0 1 270.231 2.572 20 30 CFEDMN C=C[C@H](C#CC(C)(C)C)Oc1cccc2[nH]nnc21 ZINC001225992757 775659044 /nfs/dbraw/zinc/65/90/44/775659044.db2.gz VPKIRYIYWATNNY-LLVKDONJSA-N 0 1 255.321 2.941 20 30 CFEDMN CC#CCN1CCC[C@@H](NC(=O)CCC2CCCCC2)C1 ZINC001267620167 775703519 /nfs/dbraw/zinc/70/35/19/775703519.db2.gz WWCYXRHSGCQAOY-QGZVFWFLSA-N 0 1 290.451 2.951 20 30 CFEDMN C=CCC[C@H](C)N1CC(NC(=O)CC(C)=C(C)C)C1 ZINC001267655337 775749937 /nfs/dbraw/zinc/74/99/37/775749937.db2.gz QYADUNILOIPILJ-AWEZNQCLSA-N 0 1 264.413 2.888 20 30 CFEDMN C=C(C)CCN1CC(NC(=O)C[C@H](C)c2ccco2)C1 ZINC001267667360 775763393 /nfs/dbraw/zinc/76/33/93/775763393.db2.gz UTCMTJUEQDFLOL-ZDUSSCGKSA-N 0 1 276.380 2.540 20 30 CFEDMN C=C(C)C(=O)OC[C@H](C)Oc1cc(N)nc2ccccc21 ZINC001226418386 775812185 /nfs/dbraw/zinc/81/21/85/775812185.db2.gz MRAAUFXFHHFGDS-NSHDSACASA-N 0 1 286.331 2.704 20 30 CFEDMN C#C[C@H]1CCC[C@H]1Oc1cc(N)nc2ccccc21 ZINC001226422953 775814118 /nfs/dbraw/zinc/81/41/18/775814118.db2.gz OXPXGUPYAZVQSA-SMDDNHRTSA-N 0 1 252.317 2.998 20 30 CFEDMN C=CCN1CC[C@@H](N(C)C(=O)[C@H](CC)CCCC)C1 ZINC001267756458 775885936 /nfs/dbraw/zinc/88/59/36/775885936.db2.gz FWHKJJUKIOPDFH-HUUCEWRRSA-N 0 1 266.429 2.922 20 30 CFEDMN N#Cc1ccc(OCCCN2CCC[C@@H](F)C2)cc1 ZINC000689880253 775908910 /nfs/dbraw/zinc/90/89/10/775908910.db2.gz DOQYQEWIOGISBU-CQSZACIVSA-N 0 1 262.328 2.761 20 30 CFEDMN C=C[C@H](C(=O)N(C)[C@H]1CCN(CC#CC)C1)c1ccccc1 ZINC001267777448 775920057 /nfs/dbraw/zinc/92/00/57/775920057.db2.gz NRQKAVMDUQNKQG-ROUUACIJSA-N 0 1 296.414 2.512 20 30 CFEDMN C=C(Cl)CN[C@@H](CC)CNC(=O)c1ccccc1 ZINC001267793295 775934040 /nfs/dbraw/zinc/93/40/40/775934040.db2.gz MGAVTVDNWDDAKY-ZDUSSCGKSA-N 0 1 266.772 2.537 20 30 CFEDMN C=C[C@@H](CCCCC)Oc1[nH]c(=O)nc2cnccc21 ZINC001226974211 776042059 /nfs/dbraw/zinc/04/20/59/776042059.db2.gz LLZBNTRKDZSENS-NSHDSACASA-N 0 1 273.336 2.832 20 30 CFEDMN C=CC[C@@H](Oc1cc(=O)[nH]c(OC)n1)c1ccccc1 ZINC001227000543 776056246 /nfs/dbraw/zinc/05/62/46/776056246.db2.gz MRPCGCKEYQCKBC-GFCCVEGCSA-N 0 1 272.304 2.887 20 30 CFEDMN C#CCCCCC(=O)NCCNCc1cc(C)ccc1F ZINC001125938845 776127587 /nfs/dbraw/zinc/12/75/87/776127587.db2.gz MCTRAUNLYDQAHP-UHFFFAOYSA-N 0 1 290.382 2.534 20 30 CFEDMN N#Cc1ccc2nc(OC3CCC(C#N)CC3)[nH]c2c1 ZINC001227216738 776141633 /nfs/dbraw/zinc/14/16/33/776141633.db2.gz XHFSXAWZDJAEJM-UHFFFAOYSA-N 0 1 266.304 2.896 20 30 CFEDMN N#Cc1ccc2nc(O[C@@H]3CCc4cccnc43)[nH]c2c1 ZINC001227216545 776142041 /nfs/dbraw/zinc/14/20/41/776142041.db2.gz VROWIGYPNVICKL-CQSZACIVSA-N 0 1 276.299 2.896 20 30 CFEDMN COC1CCC(Oc2nc3ccc(C#N)cc3[nH]2)CC1 ZINC001227216389 776142546 /nfs/dbraw/zinc/14/25/46/776142546.db2.gz QXHIWSVCBYWZQG-UHFFFAOYSA-N 0 1 271.320 2.771 20 30 CFEDMN C#C[C@H](CC(C)C)Oc1nc2ccc(C#N)cc2[nH]1 ZINC001227221197 776143455 /nfs/dbraw/zinc/14/34/55/776143455.db2.gz WXWBQSVNAJDXOH-GFCCVEGCSA-N 0 1 253.305 2.861 20 30 CFEDMN C#CCN1CCC(NC(=O)CCC[C@H](C)CCC)CC1 ZINC001227562636 776229293 /nfs/dbraw/zinc/22/92/93/776229293.db2.gz VILWAQOCXBMIKD-OAHLLOKOSA-N 0 1 278.440 2.807 20 30 CFEDMN C=C[C@@H](Oc1[nH]c(=S)nnc1C)c1ccccc1 ZINC001227599938 776237648 /nfs/dbraw/zinc/23/76/48/776237648.db2.gz BGZPTWNPXSSHNT-LLVKDONJSA-N 0 1 259.334 2.775 20 30 CFEDMN C=C[C@H](CCCC)Oc1nc(=O)[nH]c2c1CO[C@H]2C ZINC001227716164 776268117 /nfs/dbraw/zinc/26/81/17/776268117.db2.gz LSECSZDQQMYVQJ-VHSXEESVSA-N 0 1 264.325 2.897 20 30 CFEDMN C=C1O[C@@H](CC)C(=O)C1Oc1cnc(Cl)c(C#N)c1 ZINC001227746719 776277365 /nfs/dbraw/zinc/27/73/65/776277365.db2.gz DBMLZLWOHLIFTB-JTQLQIEISA-N 0 1 278.695 2.595 20 30 CFEDMN N#Cc1c(Cl)cccc1O[C@@H]1CN2CCC1CC2 ZINC001227790623 776290973 /nfs/dbraw/zinc/29/09/73/776290973.db2.gz YLFGBWBXMMWGPW-CQSZACIVSA-N 0 1 262.740 2.685 20 30 CFEDMN C=C1O[C@H](CC)C(=O)C1OCc1ccccc1[N+](=O)[O-] ZINC001222760599 776294769 /nfs/dbraw/zinc/29/47/69/776294769.db2.gz SFSLAIXIWOZONG-GFCCVEGCSA-N 0 1 277.276 2.721 20 30 CFEDMN C[C@H](CC(C)(C)S)Oc1[nH]c(=O)nc2cc[nH]c21 ZINC001227809487 776297333 /nfs/dbraw/zinc/29/73/33/776297333.db2.gz OPDFCEUYTWHGCZ-SSDOTTSWSA-N 0 1 267.354 2.529 20 30 CFEDMN C=CCN1CCC[C@H](NC(=O)C2CC(c3ccccc3)C2)C1 ZINC001009698752 776330987 /nfs/dbraw/zinc/33/09/87/776330987.db2.gz SYXUOMZQJCJMPJ-ABHNRTSZSA-N 0 1 298.430 2.947 20 30 CFEDMN C=C(C)C[N@H+]1CC[C@@H]1CNC(=O)[C@H]1CCc2ccccc2C1 ZINC001038755237 776370711 /nfs/dbraw/zinc/37/07/11/776370711.db2.gz MUMKDVRRBRCEHZ-ZWKOTPCHSA-N 0 1 298.430 2.558 20 30 CFEDMN C=C(C)CN1CC[C@@H]1CNC(=O)[C@H]1CCc2ccccc2C1 ZINC001038755237 776370713 /nfs/dbraw/zinc/37/07/13/776370713.db2.gz MUMKDVRRBRCEHZ-ZWKOTPCHSA-N 0 1 298.430 2.558 20 30 CFEDMN C=CCCCCCCNC(=O)N1CC[N@H+](CC)C[C@H]1C ZINC001228041482 776374474 /nfs/dbraw/zinc/37/44/74/776374474.db2.gz YBTIOMGUTLYWDV-OAHLLOKOSA-N 0 1 281.444 2.859 20 30 CFEDMN C=CCCCCCCNC(=O)N1CCN(CC)C[C@H]1C ZINC001228041482 776374483 /nfs/dbraw/zinc/37/44/83/776374483.db2.gz YBTIOMGUTLYWDV-OAHLLOKOSA-N 0 1 281.444 2.859 20 30 CFEDMN C=C1O[C@H](C)C(=O)C1Oc1ccc(COCC)cc1OC ZINC001228160805 776413078 /nfs/dbraw/zinc/41/30/78/776413078.db2.gz OAUMBIXDOVNFFA-SNVBAGLBSA-N 0 1 292.331 2.830 20 30 CFEDMN CC[N@H+]1CCC[C@@H](Oc2cc(F)c(C#N)c(F)c2)C1 ZINC001228222798 776426433 /nfs/dbraw/zinc/42/64/33/776426433.db2.gz FKMRFFGGBSZQOS-SNVBAGLBSA-N 0 1 266.291 2.700 20 30 CFEDMN C=C(C)CN1CCC[C@H]1CNC(=O)c1cccs1 ZINC001027733166 776432477 /nfs/dbraw/zinc/43/24/77/776432477.db2.gz WGEHUMZPDBDWPK-LBPRGKRZSA-N 0 1 264.394 2.518 20 30 CFEDMN C=C(C)C[N@H+]1CC[C@H]1CNC(=O)[C@@H]1C[C@H]1c1cccc(C)c1 ZINC001038795835 776456290 /nfs/dbraw/zinc/45/62/90/776456290.db2.gz ICRUZHLGBVKPOM-OKZBNKHCSA-N 0 1 298.430 2.865 20 30 CFEDMN C=C(C)CN1CC[C@H]1CNC(=O)[C@@H]1C[C@H]1c1cccc(C)c1 ZINC001038795835 776456292 /nfs/dbraw/zinc/45/62/92/776456292.db2.gz ICRUZHLGBVKPOM-OKZBNKHCSA-N 0 1 298.430 2.865 20 30 CFEDMN C=CCOc1ccccc1[C@H](C)Oc1nc(O)cc(=O)[nH]1 ZINC001228387487 776479009 /nfs/dbraw/zinc/47/90/09/776479009.db2.gz BTKUDOOPOZFZQV-JTQLQIEISA-N 0 1 288.303 2.593 20 30 CFEDMN CC#CCN1CCC[C@@H]1CNC(=O)[C@@H]1C[C@H]1CC(C)(C)C ZINC001027891441 776493851 /nfs/dbraw/zinc/49/38/51/776493851.db2.gz XKRKUZHSPJITKQ-ARFHVFGLSA-N 0 1 290.451 2.663 20 30 CFEDMN CN(C)Cc1cccc(N[C@H]2CC[C@H](C#N)CC2)n1 ZINC001167844031 776619593 /nfs/dbraw/zinc/61/95/93/776619593.db2.gz JPRVXVQFPIDFFV-JOCQHMNTSA-N 0 1 258.369 2.637 20 30 CFEDMN CC#CCN1CCC(NC(=O)C(CCC)CCC)CC1 ZINC001228894615 776648547 /nfs/dbraw/zinc/64/85/47/776648547.db2.gz CASGDQFWXOIBSL-UHFFFAOYSA-N 0 1 278.440 2.807 20 30 CFEDMN C#CCN1CCC[C@@H]1CNC(=O)c1ccccc1C1(C)CC1 ZINC001028135766 776651375 /nfs/dbraw/zinc/65/13/75/776651375.db2.gz XZKQDOHGGPLVNN-OAHLLOKOSA-N 0 1 296.414 2.566 20 30 CFEDMN C=CCCCC(=O)NC1CCN(C/C=C\Cl)CC1 ZINC001228912095 776655855 /nfs/dbraw/zinc/65/58/55/776655855.db2.gz KZBWCBPHLHXQKD-UITAMQMPSA-N 0 1 270.804 2.676 20 30 CFEDMN C=CCN1CCC[C@@H]1CNC(=O)c1cnc2ccccc2c1 ZINC001028167032 776676161 /nfs/dbraw/zinc/67/61/61/776676161.db2.gz SGYBYURJUSEERK-MRXNPFEDSA-N 0 1 295.386 2.615 20 30 CFEDMN CN(C/C=C\c1ccccc1)CCN(C)C(=O)C#CC1CC1 ZINC001268237508 776715307 /nfs/dbraw/zinc/71/53/07/776715307.db2.gz LDWOVDOJXDFRPV-TWGQIWQCSA-N 0 1 296.414 2.503 20 30 CFEDMN C=CCn1cc(CN2CC[C@H](F)C(F)(F)CC2)cn1 ZINC001139766863 776723968 /nfs/dbraw/zinc/72/39/68/776723968.db2.gz XIYNYMKWKOEYDK-LBPRGKRZSA-N 0 1 273.302 2.638 20 30 CFEDMN C=CC(C)(C)CC(=O)N[C@@H](C)CCNCc1coc(C)n1 ZINC001268370550 776767690 /nfs/dbraw/zinc/76/76/90/776767690.db2.gz LGUKHFKQROSFPF-LBPRGKRZSA-N 0 1 293.411 2.570 20 30 CFEDMN C=CCCN1CC[C@@H]1CNC(=O)c1ccc(Cl)s1 ZINC001038988082 776773195 /nfs/dbraw/zinc/77/31/95/776773195.db2.gz GPDKZRQBSFPPER-SNVBAGLBSA-N 0 1 284.812 2.782 20 30 CFEDMN C=CCC(C)(C)C(=O)N[C@@H](C)CCNCc1ncc(C)o1 ZINC001268404903 776788988 /nfs/dbraw/zinc/78/89/88/776788988.db2.gz ONRGTCQGOPBWBY-LBPRGKRZSA-N 0 1 293.411 2.570 20 30 CFEDMN CC#CCN1CCC[C@@H]1CNC(=O)[C@H]1CC[C@H](CC)CC1 ZINC001028279425 776795008 /nfs/dbraw/zinc/79/50/08/776795008.db2.gz ZQGHURRVDYXDGD-BRWVUGGUSA-N 0 1 290.451 2.807 20 30 CFEDMN C=CCN1CCC[C@H]1CNC(=O)c1cc2nc(C)ccc2o1 ZINC001028279139 776795533 /nfs/dbraw/zinc/79/55/33/776795533.db2.gz WDRUHBXRURUOEX-ZDUSSCGKSA-N 0 1 299.374 2.516 20 30 CFEDMN C=CCN1CCC[C@H]1CNC(=O)c1ccc2ccccc2n1 ZINC001028279572 776796295 /nfs/dbraw/zinc/79/62/95/776796295.db2.gz QJCSGMHSTGBNEM-HNNXBMFYSA-N 0 1 295.386 2.615 20 30 CFEDMN C#C[C@@H](Oc1[nH]c(=O)nc2c(C)cccc21)C(C)C ZINC001229407177 776803293 /nfs/dbraw/zinc/80/32/93/776803293.db2.gz HOWOOOUZPUWFBI-GFCCVEGCSA-N 0 1 256.305 2.680 20 30 CFEDMN CCN(CCNCC#Cc1ccccc1)C(=O)CC1CCC1 ZINC001268442535 776810052 /nfs/dbraw/zinc/81/00/52/776810052.db2.gz FSBWHBQRDIIMTC-UHFFFAOYSA-N 0 1 298.430 2.666 20 30 CFEDMN C=CCN1CCC[C@@H]1CNC(=O)c1ccc(C(F)F)o1 ZINC001028290267 776829052 /nfs/dbraw/zinc/82/90/52/776829052.db2.gz QLLDPBHVXVTBOJ-SNVBAGLBSA-N 0 1 284.306 2.597 20 30 CFEDMN C=CCN1CCC[C@@H]1CNC(=O)c1ccc(F)cc1Cl ZINC001028298566 776843700 /nfs/dbraw/zinc/84/37/00/776843700.db2.gz SODVSJSCRQJJFX-GFCCVEGCSA-N 0 1 296.773 2.859 20 30 CFEDMN C=CCN1CCC[C@@H]1CNC(=O)c1cc2ccccc2o1 ZINC001028301007 776846273 /nfs/dbraw/zinc/84/62/73/776846273.db2.gz MAGSLIOHCXBWIT-CQSZACIVSA-N 0 1 284.359 2.813 20 30 CFEDMN C=CCC[C@H](C)N1CC(NC(=O)c2c[nH]cc2C2CC2)C1 ZINC001268466513 776854682 /nfs/dbraw/zinc/85/46/82/776854682.db2.gz KMWCHOSEQPTHOO-LBPRGKRZSA-N 0 1 287.407 2.661 20 30 CFEDMN CCN(CCNCc1ccccc1C#N)C(=O)CC1(C)CC1 ZINC001268469706 776857105 /nfs/dbraw/zinc/85/71/05/776857105.db2.gz HXCFSRSMLOKRKS-UHFFFAOYSA-N 0 1 299.418 2.687 20 30 CFEDMN CC#CCN1CCC[C@H]1CNC(=O)c1cccc(C2CC2)c1 ZINC001028339654 776862878 /nfs/dbraw/zinc/86/28/78/776862878.db2.gz YYRNKCHNKUUPKZ-SFHVURJKSA-N 0 1 296.414 2.782 20 30 CFEDMN C=C(C)C[N@H+]1CCC[C@H]1CNC(=O)c1cccc2c1CCC2 ZINC001028341704 776865927 /nfs/dbraw/zinc/86/59/27/776865927.db2.gz RTAZSRWBJNCYIT-INIZCTEOSA-N 0 1 298.430 2.946 20 30 CFEDMN CC#CCN1CCC(NC(=O)CCCCC(C)C)CC1 ZINC001229655682 776866376 /nfs/dbraw/zinc/86/63/76/776866376.db2.gz NNRLAZSPZWQCLH-UHFFFAOYSA-N 0 1 278.440 2.807 20 30 CFEDMN C#C[C@H]1CCC[C@@H]1Oc1nc2ccc(OC)cc2[nH]1 ZINC001229728811 776880545 /nfs/dbraw/zinc/88/05/45/776880545.db2.gz DKFJNRHMDIVNBO-HZMBPMFUSA-N 0 1 256.305 2.752 20 30 CFEDMN C=C1O[C@@H](CC)C(=O)C1Oc1nc2ccc(OC)cc2[nH]1 ZINC001229728735 776881522 /nfs/dbraw/zinc/88/15/22/776881522.db2.gz CBPLTEIPJXRTMO-LBPRGKRZSA-N 0 1 288.303 2.560 20 30 CFEDMN C=C1O[C@H](C)C(=O)C1Oc1cccc(Cl)c1C(=O)OC ZINC001229846177 776902924 /nfs/dbraw/zinc/90/29/24/776902924.db2.gz QRFXDZNHDOYPBC-SSDOTTSWSA-N 0 1 296.706 2.725 20 30 CFEDMN C=C1O[C@@H](CC)C(=O)C1Oc1c(F)c(F)nc(F)c1F ZINC001229863497 776907241 /nfs/dbraw/zinc/90/72/41/776907241.db2.gz GYFUQTDCXQAHMS-YFKPBYRVSA-N 0 1 291.200 2.626 20 30 CFEDMN N#C[C@@H](Oc1nc[nH]c(=O)c1Cl)c1ccccc1F ZINC001230018787 776940960 /nfs/dbraw/zinc/94/09/60/776940960.db2.gz UERYSCAAYKSDKI-SECBINFHSA-N 0 1 279.658 2.618 20 30 CFEDMN C[C@@H](Oc1cc2[nH]ncc2cc1[N+](=O)[O-])[C@H](C)S ZINC001230600245 777022784 /nfs/dbraw/zinc/02/27/84/777022784.db2.gz DNZCLDWZFMASHL-RQJHMYQMSA-N 0 1 267.310 2.557 20 30 CFEDMN C#C[C@H](CC(C)C)Oc1cc2[nH]ncc2cc1[N+](=O)[O-] ZINC001230600190 777023501 /nfs/dbraw/zinc/02/35/01/777023501.db2.gz CTQOBMKUPCIUAI-LLVKDONJSA-N 0 1 273.292 2.898 20 30 CFEDMN C#CC[C@@H](CC)Oc1cc2[nH]ncc2cc1[N+](=O)[O-] ZINC001230602012 777023848 /nfs/dbraw/zinc/02/38/48/777023848.db2.gz TVWAWADRDBOTQG-SNVBAGLBSA-N 0 1 259.265 2.652 20 30 CFEDMN C=CCCC(=O)NCCCN(CC=C)Cc1cccnc1 ZINC001230704083 777046450 /nfs/dbraw/zinc/04/64/50/777046450.db2.gz IKCHULFUBUPPQG-UHFFFAOYSA-N 0 1 287.407 2.542 20 30 CFEDMN C=CC[N@H+](C)C[C@H](C)NC(=O)C(C)(C)c1ccccc1 ZINC001268755888 777046503 /nfs/dbraw/zinc/04/65/03/777046503.db2.gz FDJPDDNWVSLDGY-AWEZNQCLSA-N 0 1 274.408 2.587 20 30 CFEDMN C#CCN(C)C[C@@H](C)NC(=O)C1(CC=C)CCCCC1 ZINC001268756721 777047406 /nfs/dbraw/zinc/04/74/06/777047406.db2.gz MJTIBITYAORGSY-OAHLLOKOSA-N 0 1 276.424 2.583 20 30 CFEDMN C=C(C)CN1CC(CNC(=O)C2(c3ccccc3)CCC2)C1 ZINC001268849657 777066016 /nfs/dbraw/zinc/06/60/16/777066016.db2.gz DQYQFROETAGUBT-UHFFFAOYSA-N 0 1 298.430 2.732 20 30 CFEDMN C=CCN1CC(CNC(=O)[C@@]2(c3ccccc3)CC2(C)C)C1 ZINC001268892115 777070185 /nfs/dbraw/zinc/07/01/85/777070185.db2.gz OOPWOYJCJBZUMR-IBGZPJMESA-N 0 1 298.430 2.588 20 30 CFEDMN C#CC[C@@H](CC)Oc1[nH]c(=O)nc2ccc(OC)cc21 ZINC001230862182 777076354 /nfs/dbraw/zinc/07/63/54/777076354.db2.gz MBDNKPCLVZKVOE-SNVBAGLBSA-N 0 1 272.304 2.525 20 30 CFEDMN C=C[C@H](CC)Oc1[nH]c(=O)nc2ccc(OC)cc21 ZINC001230854017 777076453 /nfs/dbraw/zinc/07/64/53/777076453.db2.gz PWUDKUJBKIDSHH-SECBINFHSA-N 0 1 260.293 2.687 20 30 CFEDMN C#CCCCCCC(=O)N1C[C@@H]2C[C@H]1CN2CC=C(C)C ZINC001268960603 777079631 /nfs/dbraw/zinc/07/96/31/777079631.db2.gz VSDSINHXFKRPQJ-IRXDYDNUSA-N 0 1 288.435 2.821 20 30 CFEDMN C#C[C@H]1CCC[C@H]1Oc1[nH]c(=O)nc2cc(F)ccc21 ZINC001230883000 777080657 /nfs/dbraw/zinc/08/06/57/777080657.db2.gz IKYFYTDRRXKDFW-TVQRCGJNSA-N 0 1 272.279 2.655 20 30 CFEDMN C#C[C@H]1CCC[C@@H]1Oc1[nH]c(=O)nc2cc(F)ccc21 ZINC001230883001 777081359 /nfs/dbraw/zinc/08/13/59/777081359.db2.gz IKYFYTDRRXKDFW-ZANVPECISA-N 0 1 272.279 2.655 20 30 CFEDMN Cc1ccc2c(c1)nc(=O)[nH]c2O[C@@H]1CC[C@@H](C#N)C1 ZINC001230886893 777082199 /nfs/dbraw/zinc/08/21/99/777082199.db2.gz USCRROMIJOOVHP-GHMZBOCLSA-N 0 1 269.304 2.715 20 30 CFEDMN C#C[C@H](CCC)Oc1[nH]c(=O)nc2cc(C)ccc21 ZINC001230889325 777083516 /nfs/dbraw/zinc/08/35/16/777083516.db2.gz UKLFAMQQQYCTRO-LLVKDONJSA-N 0 1 256.305 2.825 20 30 CFEDMN C#C[C@H]1CCC[C@H]1Oc1[nH]c(=O)nc2cc(C)ccc21 ZINC001230889222 777083666 /nfs/dbraw/zinc/08/36/66/777083666.db2.gz SRNJZTFYCREWKN-SMDDNHRTSA-N 0 1 268.316 2.825 20 30 CFEDMN C=C(C)CN1C[C@@H]2C[C@H]1CN2C(=O)CCCCCC ZINC001268983532 777084051 /nfs/dbraw/zinc/08/40/51/777084051.db2.gz AIQPTKSLGYWYQO-GJZGRUSLSA-N 0 1 264.413 2.818 20 30 CFEDMN C#C[C@@H](Oc1nncc2n[nH]cc21)[C@H](CC)CCCC ZINC001230901643 777087892 /nfs/dbraw/zinc/08/78/92/777087892.db2.gz SHVKJRHKXNSBAC-BXUZGUMPSA-N 0 1 272.352 2.950 20 30 CFEDMN C=C[C@]1(C)CC[C@@H](C(C)(C)Oc2nncc3n[nH]cc32)O1 ZINC001230901408 777088046 /nfs/dbraw/zinc/08/80/46/777088046.db2.gz PNSMYOHGQRQAOU-SWLSCSKDSA-N 0 1 288.351 2.634 20 30 CFEDMN C=CCCC(=O)N[C@@H]1CCN(Cc2cc(F)ccc2C)C1 ZINC001269113123 777102654 /nfs/dbraw/zinc/10/26/54/777102654.db2.gz LKPGRXHVFWXYAL-MRXNPFEDSA-N 0 1 290.382 2.791 20 30 CFEDMN C#C[C@H](CC(C)C)Oc1[nH]c(=O)nc2cccc(F)c21 ZINC001231073129 777133309 /nfs/dbraw/zinc/13/33/09/777133309.db2.gz FUBDMZYQSXTVQU-SNVBAGLBSA-N 0 1 274.295 2.901 20 30 CFEDMN C=CCCCN1CC[C@@H]1CNC(=O)c1sccc1C ZINC001269188635 777135704 /nfs/dbraw/zinc/13/57/04/777135704.db2.gz IGILQKOUYPALDT-CYBMUJFWSA-N 0 1 278.421 2.827 20 30 CFEDMN C[N@@H+](CCCNC(=O)C1CCCC1)Cc1ccccc1C#N ZINC001231106183 777141230 /nfs/dbraw/zinc/14/12/30/777141230.db2.gz GAUXHPIOYOCUDJ-UHFFFAOYSA-N 0 1 299.418 2.687 20 30 CFEDMN CN(CCCNC(=O)C1CCCC1)Cc1ccccc1C#N ZINC001231106183 777141235 /nfs/dbraw/zinc/14/12/35/777141235.db2.gz GAUXHPIOYOCUDJ-UHFFFAOYSA-N 0 1 299.418 2.687 20 30 CFEDMN C#CCCCCC(=O)NC[C@H]1CCN1Cc1cccc(C)c1 ZINC001269222468 777144467 /nfs/dbraw/zinc/14/44/67/777144467.db2.gz GNYVJZZRMJKZNS-GOSISDBHSA-N 0 1 298.430 2.879 20 30 CFEDMN C=C(C)CN1CC[C@@H]1CN(C)C(=O)/C=C\C(C)(C)C ZINC001231256439 777179377 /nfs/dbraw/zinc/17/93/77/777179377.db2.gz WMYRPUGEEBUVRE-IUCKJTJTSA-N 0 1 264.413 2.698 20 30 CFEDMN C#C[C@H]1CCC[C@@H]1Oc1[nH]c(=O)nc2c(OC)cccc12 ZINC001231347436 777197651 /nfs/dbraw/zinc/19/76/51/777197651.db2.gz LBVOKVSFVHBZLI-JQWIXIFHSA-N 0 1 284.315 2.525 20 30 CFEDMN CC(C)Oc1ccc(CN2CCC[C@H](C#N)CC2)cn1 ZINC001231535233 777255843 /nfs/dbraw/zinc/25/58/43/777255843.db2.gz FRKXLGUEGOCKQC-AWEZNQCLSA-N 0 1 273.380 2.994 20 30 CFEDMN C=C[C@@](C)(CC)C(=O)N(C)C1CN(CC2CCCC2)C1 ZINC001269843529 777258527 /nfs/dbraw/zinc/25/85/27/777258527.db2.gz MVBPOZSTJFYDSA-KRWDZBQOSA-N 0 1 278.440 2.922 20 30 CFEDMN COc1cc(C#N)ccc1CN1C[C@H]2[C@H](CC2(F)F)C1 ZINC001231617377 777279620 /nfs/dbraw/zinc/27/96/20/777279620.db2.gz VGDFSCGTRUCOGX-OLZOCXBDSA-N 0 1 278.302 2.654 20 30 CFEDMN COc1cc(C#N)ccc1CN1CC[C@H](OC(C)C)C1 ZINC001231620490 777280386 /nfs/dbraw/zinc/28/03/86/777280386.db2.gz CUTXLXHEYDFARF-HNNXBMFYSA-N 0 1 274.364 2.566 20 30 CFEDMN C=C(Cl)CNC[C@H]1CCCN1C(=O)/C(C)=C\CC ZINC001270016398 777288889 /nfs/dbraw/zinc/28/88/89/777288889.db2.gz RGRSTNBKPPFONZ-TUOYRWMMSA-N 0 1 270.804 2.676 20 30 CFEDMN C#Cc1cccc(CN2CCN(c3cccc(C)n3)CC2)c1 ZINC001231656639 777296332 /nfs/dbraw/zinc/29/63/32/777296332.db2.gz PVLIQXVYJYMULS-UHFFFAOYSA-N 0 1 291.398 2.694 20 30 CFEDMN C=C[C@H](CC)CC(=O)NC1(C)CCN(CCF)CC1 ZINC001270242397 777338294 /nfs/dbraw/zinc/33/82/94/777338294.db2.gz BBWTZQAPHSUZEW-CYBMUJFWSA-N 0 1 270.392 2.529 20 30 CFEDMN C[C@@H]1CN(Cc2ccc(N(C)CCC#N)cc2)CCCC1=O ZINC001231818902 777342678 /nfs/dbraw/zinc/34/26/78/777342678.db2.gz QPEHIWBGHBDKGQ-OAHLLOKOSA-N 0 1 299.418 2.837 20 30 CFEDMN C=CCCCN1CC(N(C)C(=O)C=C(CC)CC)C1 ZINC001277580650 777363501 /nfs/dbraw/zinc/36/35/01/777363501.db2.gz LXBDKFVSTNBVSH-UHFFFAOYSA-N 0 1 264.413 2.842 20 30 CFEDMN N#Cc1ccc2c(c1)CCN(Cc1cccc3c[nH]nc31)C2 ZINC001231970069 777396780 /nfs/dbraw/zinc/39/67/80/777396780.db2.gz HXXGCZYELLSDBK-UHFFFAOYSA-N 0 1 288.354 2.993 20 30 CFEDMN N#Cc1cccc(C2(N[C@H]3CCCc4n[nH]cc43)CC2)c1 ZINC000335942822 777427463 /nfs/dbraw/zinc/42/74/63/777427463.db2.gz LWNJKPCKBCGZRN-HNNXBMFYSA-N 0 1 278.359 2.938 20 30 CFEDMN N#C[C@H]1CN(Cc2c(F)cc(F)cc2Cl)CCC1=O ZINC001232102343 777441969 /nfs/dbraw/zinc/44/19/69/777441969.db2.gz RQHAJIINKHWHQO-QMMMGPOBSA-N 0 1 284.693 2.533 20 30 CFEDMN C[C@H]1CN(Cc2ccc(C#N)c(Cl)c2)CC[C@@]1(C)O ZINC001232111112 777443100 /nfs/dbraw/zinc/44/31/00/777443100.db2.gz AJDYNHKNXLRPQP-XHDPSFHLSA-N 0 1 278.783 2.804 20 30 CFEDMN C[C@@H]1CC[C@H](CO)CN1Cc1ccc(C#N)c(Cl)c1 ZINC001232111965 777444327 /nfs/dbraw/zinc/44/43/27/777444327.db2.gz MSOAGIZNHBQZON-YPMHNXCESA-N 0 1 278.783 2.804 20 30 CFEDMN COc1cc([O-])c(C[NH+]2CCC(S)CC2)cc1Cl ZINC001232269865 777501129 /nfs/dbraw/zinc/50/11/29/777501129.db2.gz LIRUMEVQCKHCTA-UHFFFAOYSA-N 0 1 287.812 2.948 20 30 CFEDMN C#CCN(Cc1cnc(C)[nH]1)[C@@H]1CCc2ccccc21 ZINC001232462950 777568758 /nfs/dbraw/zinc/56/87/58/777568758.db2.gz AGLBZMJJKJINNN-QGZVFWFLSA-N 0 1 265.360 2.841 20 30 CFEDMN N#Cc1ccnc(CN2CCC[C@H](c3ccccn3)C2)c1 ZINC001232479933 777576360 /nfs/dbraw/zinc/57/63/60/777576360.db2.gz BOWHVFPSBQEMNQ-HNNXBMFYSA-N 0 1 278.359 2.728 20 30 CFEDMN C=CC(C)(C)CC(=O)N(C)[C@H](C)CNCc1ocnc1C ZINC001270974988 777617556 /nfs/dbraw/zinc/61/75/56/777617556.db2.gz BZOWCUUUZSEEBW-GFCCVEGCSA-N 0 1 293.411 2.522 20 30 CFEDMN COc1ccc2c(c1)C[N@H+](Cc1cc(C#N)ccc1[O-])CC2 ZINC001232674346 777637854 /nfs/dbraw/zinc/63/78/54/777637854.db2.gz XLXCYYLLIPQRMY-UHFFFAOYSA-N 0 1 294.354 2.831 20 30 CFEDMN N#Cc1ccc([O-])c(C[N@H+]2CCc3cc(O)ccc3C2)c1 ZINC001232674677 777637958 /nfs/dbraw/zinc/63/79/58/777637958.db2.gz CLRJOHHWQGEPFX-UHFFFAOYSA-N 0 1 280.327 2.528 20 30 CFEDMN C[N@H+](Cc1cc(C#N)ccc1[O-])C[C@H]1Cc2ccccc2O1 ZINC001232680714 777640224 /nfs/dbraw/zinc/64/02/24/777640224.db2.gz GQZGSFWDPKULGK-MRXNPFEDSA-N 0 1 294.354 2.699 20 30 CFEDMN Cc1nc([C@@H]2CCCCN2Cc2cc(C#N)ccc2O)no1 ZINC001232679242 777640395 /nfs/dbraw/zinc/64/03/95/777640395.db2.gz HOXIDRIILXKULR-AWEZNQCLSA-N 0 1 298.346 2.683 20 30 CFEDMN CCN(Cc1cc(C#N)ccc1O)CC(F)(F)F ZINC001232678962 777640662 /nfs/dbraw/zinc/64/06/62/777640662.db2.gz WCWGRNVWVAMCGR-UHFFFAOYSA-N 0 1 258.243 2.648 20 30 CFEDMN C=CCCCC(=O)N(C)[C@@H](C)CNCc1ncc(C)s1 ZINC001271084602 777646261 /nfs/dbraw/zinc/64/62/61/777646261.db2.gz YJDKFDHQQNMXRX-LBPRGKRZSA-N 0 1 295.452 2.744 20 30 CFEDMN C=CCN1CC[C@H](NC(=O)c2sccc2F)[C@H]1CC ZINC001087562115 777655591 /nfs/dbraw/zinc/65/55/91/777655591.db2.gz HHHVZRHSTCGXPM-NWDGAFQWSA-N 0 1 282.384 2.656 20 30 CFEDMN N#Cc1ccc(CN2CC[C@H]3CCCO[C@@H]3C2)s1 ZINC001232844488 777689856 /nfs/dbraw/zinc/68/98/56/777689856.db2.gz RCQNQZPESWVGQE-BXUZGUMPSA-N 0 1 262.378 2.621 20 30 CFEDMN C=CCN1CC[C@H](NC(=O)c2csc(Cl)n2)[C@H]1CC ZINC001087786030 777699327 /nfs/dbraw/zinc/69/93/27/777699327.db2.gz IQKYUWUTUIUKJT-GXSJLCMTSA-N 0 1 299.827 2.565 20 30 CFEDMN C[C@@H]1CN(Cc2cc(F)ccc2C#N)CCC[C@@]1(C)O ZINC001232888820 777710109 /nfs/dbraw/zinc/71/01/09/777710109.db2.gz PKVNMKPHDGWWBB-MLGOLLRUSA-N 0 1 276.355 2.680 20 30 CFEDMN Cc1ccc(CN(C)CCc2ccccn2)c(C#N)c1 ZINC001232961879 777738355 /nfs/dbraw/zinc/73/83/55/777738355.db2.gz HQKZRLNIBJBPSX-UHFFFAOYSA-N 0 1 265.360 2.936 20 30 CFEDMN Cc1cc(C#N)ccc1CN1CC(c2cccnc2)C1 ZINC001233082595 777791976 /nfs/dbraw/zinc/79/19/76/777791976.db2.gz SQTCCICALUDDHW-UHFFFAOYSA-N 0 1 263.344 2.861 20 30 CFEDMN CN(C)c1ccc(CN2CCC(S)CC2)c(F)c1C#N ZINC001233102247 777794494 /nfs/dbraw/zinc/79/44/94/777794494.db2.gz UEZJRGWOFWQYPT-UHFFFAOYSA-N 0 1 293.411 2.658 20 30 CFEDMN Cc1ncc(CN2CCC[C@@H](Oc3cccc(C#N)c3)C2)o1 ZINC001233367631 777914760 /nfs/dbraw/zinc/91/47/60/777914760.db2.gz VHIYLRODHJUBJD-MRXNPFEDSA-N 0 1 297.358 2.898 20 30 CFEDMN N#Cc1ccc(C[N@H+]2CC[C@@H]3CCC[C@@H]3C2)c([O-])c1 ZINC001233384509 777926787 /nfs/dbraw/zinc/92/67/87/777926787.db2.gz YCRYHRMHHJMPMH-UONOGXRCSA-N 0 1 256.349 2.886 20 30 CFEDMN CC[N@@H+](Cc1cccnc1)Cc1ccc(C#N)cc1[O-] ZINC001233386482 777928789 /nfs/dbraw/zinc/92/87/89/777928789.db2.gz VTIMDDKYDKCPQX-UHFFFAOYSA-N 0 1 267.332 2.681 20 30 CFEDMN C=C(C)C(=O)OCCNc1cc(OC(C)(C)C)ccn1 ZINC001168077058 777950382 /nfs/dbraw/zinc/95/03/82/777950382.db2.gz QHSCOCSVIPZQEL-UHFFFAOYSA-N 0 1 278.352 2.790 20 30 CFEDMN CCc1cc(C)c(C#N)c(O[C@H]2CCC[N@H+](CC)C2)n1 ZINC001233555022 777989358 /nfs/dbraw/zinc/98/93/58/777989358.db2.gz CZINSQXHJVUOGX-AWEZNQCLSA-N 0 1 273.380 2.687 20 30 CFEDMN N#C[C@@H](Oc1n[nH]c(=O)cc1Cl)c1cccc(F)c1 ZINC001233591574 778002441 /nfs/dbraw/zinc/00/24/41/778002441.db2.gz XXMFWIIQAOBORS-SNVBAGLBSA-N 0 1 279.658 2.618 20 30 CFEDMN C=C1O[C@H](CC)C(=O)C1Oc1cc(F)c([N+](=O)[O-])c(F)c1 ZINC001233752934 778064301 /nfs/dbraw/zinc/06/43/01/778064301.db2.gz HSXXXVSDAKJUJV-SNVBAGLBSA-N 0 1 299.229 2.861 20 30 CFEDMN C=C(C)CN1CC[C@H](NC(=O)c2ccc(C)s2)[C@H]1C ZINC001088449725 778113241 /nfs/dbraw/zinc/11/32/41/778113241.db2.gz ZYWQSUPGSBSHQV-OLZOCXBDSA-N 0 1 278.421 2.825 20 30 CFEDMN CCCCC(=O)NCCC[N@@H+](C)Cc1ccccc1C#N ZINC001234043092 778150869 /nfs/dbraw/zinc/15/08/69/778150869.db2.gz SPUCHBIQWUBWAY-UHFFFAOYSA-N 0 1 287.407 2.687 20 30 CFEDMN CCCCC(=O)NCCCN(C)Cc1ccccc1C#N ZINC001234043092 778150878 /nfs/dbraw/zinc/15/08/78/778150878.db2.gz SPUCHBIQWUBWAY-UHFFFAOYSA-N 0 1 287.407 2.687 20 30 CFEDMN C#CCCN1CC[C@@H]1CN(C)C(=O)CC1(C)CCCC1 ZINC001234087230 778162074 /nfs/dbraw/zinc/16/20/74/778162074.db2.gz IDSGLWFWUSGRAS-OAHLLOKOSA-N 0 1 276.424 2.513 20 30 CFEDMN CC[C@H](C)C(=O)NCCCN(C)CC#Cc1ccccc1 ZINC001234127406 778171553 /nfs/dbraw/zinc/17/15/53/778171553.db2.gz WCDNLRQBOAUXFF-INIZCTEOSA-N 0 1 286.419 2.522 20 30 CFEDMN CC(C)=CC[N@@H+]1CC[C@H]1CN(C)C(=O)C#CC(C)(C)C ZINC001234205673 778185206 /nfs/dbraw/zinc/18/52/06/778185206.db2.gz KQSHAAQKEYGJTQ-HNNXBMFYSA-N 0 1 276.424 2.535 20 30 CFEDMN CC(C)=CCN1CC[C@H]1CN(C)C(=O)C#CC(C)(C)C ZINC001234205673 778185208 /nfs/dbraw/zinc/18/52/08/778185208.db2.gz KQSHAAQKEYGJTQ-HNNXBMFYSA-N 0 1 276.424 2.535 20 30 CFEDMN CC#CCN1CC[C@@H]2[C@H]1CCCN2C(=O)C1(CCC)CC1 ZINC001272033203 778185606 /nfs/dbraw/zinc/18/56/06/778185606.db2.gz HGCOHVBFWQPBKI-HZPDHXFCSA-N 0 1 288.435 2.655 20 30 CFEDMN C=CCCC[N@@H+]1CC[C@H]1CN(C)C(=O)[C@@H](OCC)C(C)C ZINC001234255466 778194043 /nfs/dbraw/zinc/19/40/43/778194043.db2.gz NRHHQIRRWUGGMM-HOTGVXAUSA-N 0 1 296.455 2.546 20 30 CFEDMN C=CC[C@H](C=C)Oc1nc(C)[nH]c(=O)c1Br ZINC001234568373 778254151 /nfs/dbraw/zinc/25/41/51/778254151.db2.gz MKMLSDPNQJCDAI-QMMMGPOBSA-N 0 1 285.141 2.763 20 30 CFEDMN C[C@H]1CCC[C@@H]1Oc1[nH]c(=O)nc2ccc(C#N)cc21 ZINC001234515199 778240742 /nfs/dbraw/zinc/24/07/42/778240742.db2.gz GTANKCLDRYUWTO-ZANVPECISA-N 0 1 269.304 2.774 20 30 CFEDMN N#Cc1ccc2nc(=O)[nH]c(O[C@@H]3C=CCCC3)c2c1 ZINC001234530126 778244901 /nfs/dbraw/zinc/24/49/01/778244901.db2.gz IAEZQGCFWXGYPK-LLVKDONJSA-N 0 1 267.288 2.695 20 30 CFEDMN C=C[C@H](CCC)Oc1[nH]c(=O)nc2ccc(C#N)cc21 ZINC001234530256 778244954 /nfs/dbraw/zinc/24/49/54/778244954.db2.gz JOBIACMWTCAURW-LLVKDONJSA-N 0 1 269.304 2.941 20 30 CFEDMN C=C(C)CN1CC[C@H]1CN(C)C(=O)C(C)(C)C(C)C ZINC001234563301 778253509 /nfs/dbraw/zinc/25/35/09/778253509.db2.gz PKAKGRONGOUMCV-AWEZNQCLSA-N 0 1 266.429 2.777 20 30 CFEDMN C=C(C)CCC(=O)N(C)C[C@@H]1CC[N@@H+]1CC[C@H](C)F ZINC001234614980 778266566 /nfs/dbraw/zinc/26/65/66/778266566.db2.gz WRGDUZXXRQAWST-KBPBESRZSA-N 0 1 270.392 2.624 20 30 CFEDMN C[C@H](Oc1nc(F)nc2nc[nH]c21)c1ccccc1C#N ZINC001234691897 778290303 /nfs/dbraw/zinc/29/03/03/778290303.db2.gz IRSQNXASNXUMLJ-QMMMGPOBSA-N 0 1 283.266 2.504 20 30 CFEDMN C=CC(C)(C)C(=O)N(C)C[C@H](C)NCc1nc(C)cs1 ZINC001277907312 778327629 /nfs/dbraw/zinc/32/76/29/778327629.db2.gz LUOBOPKDEVFOBV-NSHDSACASA-N 0 1 295.452 2.600 20 30 CFEDMN C#CCN(C)CCN(C)C(=O)c1ccc(C(C)(C)C)s1 ZINC001272178275 778367585 /nfs/dbraw/zinc/36/75/85/778367585.db2.gz FINKWWRYTKMRIA-UHFFFAOYSA-N 0 1 292.448 2.683 20 30 CFEDMN C=C(C)CCN1CCN(C(=O)OCc2ccccc2)CC1 ZINC001168283750 778394385 /nfs/dbraw/zinc/39/43/85/778394385.db2.gz CQQHAUPGVORIQL-UHFFFAOYSA-N 0 1 288.391 2.907 20 30 CFEDMN CC(C)N1CC(Nc2ccc3c(C#N)c[nH]c3c2)C1 ZINC001168314599 778425433 /nfs/dbraw/zinc/42/54/33/778425433.db2.gz PCGKUDPYRFLVEP-UHFFFAOYSA-N 0 1 254.337 2.544 20 30 CFEDMN C=CCCO[C@@H]1CCN(Cc2ccccc2C#N)C1 ZINC001224339631 778474311 /nfs/dbraw/zinc/47/43/11/778474311.db2.gz RLZWETIRRMQGJB-MRXNPFEDSA-N 0 1 256.349 2.725 20 30 CFEDMN C[N@@H+](Cc1ccccn1)Cc1ccccc1CC#N ZINC001235513073 778509264 /nfs/dbraw/zinc/50/92/64/778509264.db2.gz ZFLLQGUSOBPQSP-UHFFFAOYSA-N 0 1 251.333 2.780 20 30 CFEDMN CN(Cc1ccccn1)Cc1ccccc1CC#N ZINC001235513073 778509267 /nfs/dbraw/zinc/50/92/67/778509267.db2.gz ZFLLQGUSOBPQSP-UHFFFAOYSA-N 0 1 251.333 2.780 20 30 CFEDMN CC(C)[C@H]1COCCN1Cc1ccccc1CC#N ZINC001235524912 778511243 /nfs/dbraw/zinc/51/12/43/778511243.db2.gz HWHAZLLDHITNTA-MRXNPFEDSA-N 0 1 258.365 2.609 20 30 CFEDMN C[C@@H](NCCNC(=O)C#CC(C)(C)C)c1ccccc1F ZINC001126907082 778538185 /nfs/dbraw/zinc/53/81/85/778538185.db2.gz FULZZSWIHHYRLU-CYBMUJFWSA-N 0 1 290.382 2.642 20 30 CFEDMN C=C(C)CN1CC[C@@H]1CN(C)C(=O)[C@H](C)C1CCC1 ZINC001235744191 778552061 /nfs/dbraw/zinc/55/20/61/778552061.db2.gz VPRZIJWCXKNMCD-UKRRQHHQSA-N 0 1 264.413 2.531 20 30 CFEDMN CC[C@@H]1OC(C)=C(OCCCO[C@H]2CCCCO2)C1=O ZINC001224532846 778563497 /nfs/dbraw/zinc/56/34/97/778563497.db2.gz ZGQIDNHRCFUQEG-STQMWFEESA-N 0 1 284.352 2.546 20 30 CFEDMN C=CC[N@@H+]1C[C@@H]2CCN(C(=O)[C@@H](C)c3cccc(C)c3)[C@@H]2C1 ZINC001076299787 778582291 /nfs/dbraw/zinc/58/22/91/778582291.db2.gz LXUUOGLARQTXTR-RYQLBKOJSA-N 0 1 298.430 2.817 20 30 CFEDMN CCOc1ccccc1NC(=O)C(C#N)C(=O)CC(C)C ZINC000128904049 778636575 /nfs/dbraw/zinc/63/65/75/778636575.db2.gz LSENILQGXXSHQO-GFCCVEGCSA-N 0 1 288.347 2.779 20 30 CFEDMN CCOc1ccccc1NC(=O)C(C#N)C(=O)C1CCC1 ZINC000128906624 778638017 /nfs/dbraw/zinc/63/80/17/778638017.db2.gz YYNGVQXIZBJNMS-GFCCVEGCSA-N 0 1 286.331 2.533 20 30 CFEDMN N#Cc1ncc(-c2c(F)cc(F)c(O)c2F)cc1F ZINC001235993918 778645042 /nfs/dbraw/zinc/64/50/42/778645042.db2.gz HNMCYZDSLOYULN-UHFFFAOYSA-N 0 1 268.169 2.882 20 30 CFEDMN C=C(C)CCN1CC(NC(=O)C[C@H]2CCC[C@@H]2C)C1 ZINC001030359696 778846161 /nfs/dbraw/zinc/84/61/61/778846161.db2.gz OXDGPCOPYKKHJR-UONOGXRCSA-N 0 1 264.413 2.579 20 30 CFEDMN C=C1O[C@@H](CC)C(=O)C1OCCCCOC(=O)C(C)(C)C ZINC001225144739 778850711 /nfs/dbraw/zinc/85/07/11/778850711.db2.gz QTTUBJKDYISBTF-LBPRGKRZSA-N 0 1 298.379 2.982 20 30 CFEDMN CN(C)Cc1ccc(-c2ccc(C#N)cc2F)nc1 ZINC001236524495 778858911 /nfs/dbraw/zinc/85/89/11/778858911.db2.gz YNTJVZUIZXSZJW-UHFFFAOYSA-N 0 1 255.296 2.821 20 30 CFEDMN CCCCC(=O)C(C#N)C(=O)Nc1ccccc1OC ZINC000129913509 778888841 /nfs/dbraw/zinc/88/88/41/778888841.db2.gz ULXINGVZFBZVNK-NSHDSACASA-N 0 1 274.320 2.533 20 30 CFEDMN C#CC[N@H+](C)Cc1cc(C)cc(Br)c1[O-] ZINC001236666014 778906539 /nfs/dbraw/zinc/90/65/39/778906539.db2.gz MPPJGRFWOXIESO-UHFFFAOYSA-N 0 1 268.154 2.528 20 30 CFEDMN CC#CCN1CC(C)(C)CC[C@@H]1CNC(=O)C(F)=C(C)C ZINC001099015392 778908812 /nfs/dbraw/zinc/90/88/12/778908812.db2.gz CNKCGVVVCNAGGG-CQSZACIVSA-N 0 1 294.414 2.880 20 30 CFEDMN N#C[C@@H]1CN(Cc2cccc3sccc32)CCC1=O ZINC001236688404 778910188 /nfs/dbraw/zinc/91/01/88/778910188.db2.gz CQVJYIVLEYTWAW-GFCCVEGCSA-N 0 1 270.357 2.816 20 30 CFEDMN C=CCN(C)Cc1ccc(O)cc1OC(F)(F)F ZINC001236727831 778921673 /nfs/dbraw/zinc/92/16/73/778921673.db2.gz DGYGRSRUGFPUNE-UHFFFAOYSA-N 0 1 261.243 2.909 20 30 CFEDMN C=C(C)C[N@@H+]1CC[C@H](NC(=O)c2ccc3cc[nH]c3c2)[C@H]1C ZINC001088884450 778935019 /nfs/dbraw/zinc/93/50/19/778935019.db2.gz VLHZDVIHOLBCGB-CJNGLKHVSA-N 0 1 297.402 2.937 20 30 CFEDMN C=CCN1CC[C@H](NC(=O)c2ccc3cccnc3c2)[C@H]1C ZINC001088928460 778950557 /nfs/dbraw/zinc/95/05/57/778950557.db2.gz MRPJOFDFNBFSPR-CJNGLKHVSA-N 0 1 295.386 2.613 20 30 CFEDMN C=C(C)CN1CC[C@H](NC(=O)c2ccc(C(F)F)o2)[C@H]1C ZINC001089008313 778973639 /nfs/dbraw/zinc/97/36/39/778973639.db2.gz BLXXBOYQAUHBKY-MNOVXSKESA-N 0 1 298.333 2.986 20 30 CFEDMN C=CCN1CC[C@H](NC(=O)c2ccc(F)cc2Cl)[C@H]1C ZINC001089018689 778975109 /nfs/dbraw/zinc/97/51/09/778975109.db2.gz WDLDCKWUMQOYSM-YGRLFVJLSA-N 0 1 296.773 2.858 20 30 CFEDMN CC#CCN1CC[C@H](NC(=O)C(C)(C)c2ccccc2)[C@H]1C ZINC001089028091 778978531 /nfs/dbraw/zinc/97/85/31/778978531.db2.gz BDEIEBXMMQKWFN-WBVHZDCISA-N 0 1 298.430 2.567 20 30 CFEDMN CC#CCN1CC[C@H](NC(=O)c2ccc(C3CC3)cc2)[C@H]1C ZINC001089054646 778983038 /nfs/dbraw/zinc/98/30/38/778983038.db2.gz YNHNXZNEIYGKCU-KDOFPFPSSA-N 0 1 296.414 2.780 20 30 CFEDMN C=C(C)CN1CC[C@H](NC(=O)c2ccc(F)s2)[C@H]1C ZINC001089071947 778987888 /nfs/dbraw/zinc/98/78/88/778987888.db2.gz BRGXEGZUQNGYHB-MNOVXSKESA-N 0 1 282.384 2.656 20 30 CFEDMN CCCO[C@@H]1CCN(Cc2ccc(C)cc2C#N)C1 ZINC001232966693 779000617 /nfs/dbraw/zinc/00/06/17/779000617.db2.gz RKEWGTTXISSUMG-MRXNPFEDSA-N 0 1 258.365 2.868 20 30 CFEDMN CC(C)c1nc2c(ncnc2NCCCCC#N)[nH]1 ZINC001168429162 779016316 /nfs/dbraw/zinc/01/63/16/779016316.db2.gz KPQRAUYDHMLPND-UHFFFAOYSA-N 0 1 258.329 2.582 20 30 CFEDMN N#C[C@H]1CN(Cc2ccc3cccccc2-3)CCC1=O ZINC001237192682 779045220 /nfs/dbraw/zinc/04/52/20/779045220.db2.gz JMBXZCWFLRBGJT-HNNXBMFYSA-N 0 1 264.328 2.706 20 30 CFEDMN C=C1CCC(C(=O)NC2CN(CCC(C)C)C2)CC1 ZINC001030903549 779089970 /nfs/dbraw/zinc/08/99/70/779089970.db2.gz KWCJRKWQCUQWPQ-UHFFFAOYSA-N 0 1 264.413 2.579 20 30 CFEDMN Cc1cc(F)cc(C(=O)Nc2cc(C#N)ccc2O)c1 ZINC000176402984 779124483 /nfs/dbraw/zinc/12/44/83/779124483.db2.gz SPUKOIWCIUSZDS-UHFFFAOYSA-N 0 1 270.263 2.964 20 30 CFEDMN N#Cc1ccc(O)c(NC(=O)c2ccc3cc[nH]c3c2)c1 ZINC000176403765 779124733 /nfs/dbraw/zinc/12/47/33/779124733.db2.gz SPSLNDXFZHZHDM-UHFFFAOYSA-N 0 1 277.283 2.997 20 30 CFEDMN C[C@@H]1CC[C@@H](CCC(=O)Nc2cc(C#N)ccc2O)O1 ZINC000176410127 779129167 /nfs/dbraw/zinc/12/91/67/779129167.db2.gz BMLTUJLBBGWVDK-PWSUYJOCSA-N 0 1 274.320 2.550 20 30 CFEDMN Cc1ccnc2cccc(CN3CC(CC#N)C3)c12 ZINC001237623299 779146770 /nfs/dbraw/zinc/14/67/70/779146770.db2.gz APLTVXLCCPKJHM-UHFFFAOYSA-N 0 1 251.333 2.889 20 30 CFEDMN Cc1cccc(NC(=O)C(C#N)C(=O)[C@@H](C)C2CC2)c1 ZINC000176530036 779217414 /nfs/dbraw/zinc/21/74/14/779217414.db2.gz XRACNPFUVSXPTR-SMDDNHRTSA-N 0 1 270.332 2.689 20 30 CFEDMN CCc1ccc(NC(=O)C(C#N)C(=O)[C@H](C)C2CC2)cc1 ZINC000176531782 779218608 /nfs/dbraw/zinc/21/86/08/779218608.db2.gz VELZMHPDYDOKEC-IAQYHMDHSA-N 0 1 284.359 2.942 20 30 CFEDMN CCc1ccc(NC(=O)C(C#N)C(=O)[C@@H](C)C2CC2)cc1 ZINC000176531755 779218725 /nfs/dbraw/zinc/21/87/25/779218725.db2.gz VELZMHPDYDOKEC-XHDPSFHLSA-N 0 1 284.359 2.942 20 30 CFEDMN N#C[C@H]1CCCN(Cc2n[nH]c3cc(Cl)ccc32)C1 ZINC001238000457 779227551 /nfs/dbraw/zinc/22/75/51/779227551.db2.gz JVZDIUKBKRGSQU-SNVBAGLBSA-N 0 1 274.755 2.952 20 30 CFEDMN C=CCCCC(=O)NC[C@@H]1CCC(C)(C)CN1CC#CC ZINC001099202379 779241321 /nfs/dbraw/zinc/24/13/21/779241321.db2.gz BLFQIISWYSKXQF-INIZCTEOSA-N 0 1 290.451 2.973 20 30 CFEDMN C=C(C)CN1C[C@@]2(CC1=O)CCCCN2Cc1ccco1 ZINC001272586074 779241957 /nfs/dbraw/zinc/24/19/57/779241957.db2.gz WCOUMEGUGFWMOT-KRWDZBQOSA-N 0 1 288.391 2.813 20 30 CFEDMN C=CC(C)(C)CC(=O)N(C)C[C@H]1CCN1CCOC(C)C ZINC001234554593 779245117 /nfs/dbraw/zinc/24/51/17/779245117.db2.gz LCOLHONHONZPRQ-OAHLLOKOSA-N 0 1 296.455 2.546 20 30 CFEDMN Cc1cc(C(=O)[O-])ccc1C[N@H+]1CCC[C@H](C#N)CC1 ZINC001238149455 779263434 /nfs/dbraw/zinc/26/34/34/779263434.db2.gz OHFSZBVCJIXISK-ZDUSSCGKSA-N 0 1 272.348 2.819 20 30 CFEDMN Cc1cc(C(=O)[O-])ccc1C[N@H+]1CCC[C@@H](C#N)CC1 ZINC001238149453 779263827 /nfs/dbraw/zinc/26/38/27/779263827.db2.gz OHFSZBVCJIXISK-CYBMUJFWSA-N 0 1 272.348 2.819 20 30 CFEDMN CCCCO[C@@H]1CCN(Cc2ccccc2C#N)C1 ZINC001205139527 779321020 /nfs/dbraw/zinc/32/10/20/779321020.db2.gz VBABWXDGYQLNCG-MRXNPFEDSA-N 0 1 258.365 2.949 20 30 CFEDMN CC#CCN1CC[C@@](C)(NC(=O)c2cc(C)cc(C)c2)C1 ZINC001046797217 779377329 /nfs/dbraw/zinc/37/73/29/779377329.db2.gz VYIHBAUVEBUBMK-GOSISDBHSA-N 0 1 284.403 2.521 20 30 CFEDMN CCc1cc(CN2CC3(C2)CCCOC3)ccc1C#N ZINC001238759925 779383237 /nfs/dbraw/zinc/38/32/37/779383237.db2.gz BROOITRTOWLZBY-UHFFFAOYSA-N 0 1 270.376 2.733 20 30 CFEDMN CCc1cc(CN2CCC3(CCOC3=O)CC2)ccc1C#N ZINC001238768469 779386810 /nfs/dbraw/zinc/38/68/10/779386810.db2.gz JOPURCRMROOXRE-UHFFFAOYSA-N 0 1 298.386 2.650 20 30 CFEDMN C#CCN1CC(C)(C)CC[C@@H]1CNC(=O)CCC1(C)CC1 ZINC001099291590 779413790 /nfs/dbraw/zinc/41/37/90/779413790.db2.gz KMYYKHNHYNRHBJ-OAHLLOKOSA-N 0 1 290.451 2.807 20 30 CFEDMN CN(C)Cc1cccc(-c2cnc(C#N)c(F)c2)c1F ZINC001238996034 779437665 /nfs/dbraw/zinc/43/76/65/779437665.db2.gz SIBCTMMQVWOZAY-UHFFFAOYSA-N 0 1 273.286 2.960 20 30 CFEDMN N#Cc1c[nH]c2ccnc(-c3cccc(CCO)c3)c12 ZINC001239024306 779442276 /nfs/dbraw/zinc/44/22/76/779442276.db2.gz DAOWXORHSYESPX-UHFFFAOYSA-N 0 1 263.300 2.636 20 30 CFEDMN C#CCN(C)Cc1ccccc1CNC(=O)[C@H]1C[C@H]1C(C)C ZINC001272675326 779545302 /nfs/dbraw/zinc/54/53/02/779545302.db2.gz JEQJNWCMKBRTQF-ROUUACIJSA-N 0 1 298.430 2.660 20 30 CFEDMN C#CCN1CC(C)(C)CC[C@@H]1CNC(=O)c1ccc(C)cc1 ZINC001089726296 779579390 /nfs/dbraw/zinc/57/93/90/779579390.db2.gz KPNSNDQFPKNFES-QGZVFWFLSA-N 0 1 298.430 2.849 20 30 CFEDMN C=C(C)CN1CC(CNC(=O)c2c(C)[nH]c3ccccc32)C1 ZINC001031829270 779632484 /nfs/dbraw/zinc/63/24/84/779632484.db2.gz LRSIIHZTWHUXSI-UHFFFAOYSA-N 0 1 297.402 2.714 20 30 CFEDMN C=C(C)CN1CC(CNC(=O)c2cc(C)cc(Cl)c2)C1 ZINC001031848741 779642040 /nfs/dbraw/zinc/64/20/40/779642040.db2.gz LGWWCUDKPXOOFU-UHFFFAOYSA-N 0 1 292.810 2.886 20 30 CFEDMN C=CCN1CC(CNC(=O)c2cc3cscc3s2)C1 ZINC001031854798 779644954 /nfs/dbraw/zinc/64/49/54/779644954.db2.gz QDYHPXAFJUFTTN-UHFFFAOYSA-N 0 1 292.429 2.810 20 30 CFEDMN C=CCCC(=O)NCCNCc1ccc(C)cc1Cl ZINC001124640995 779699094 /nfs/dbraw/zinc/69/90/94/779699094.db2.gz YEOUCOGRCVMDOC-UHFFFAOYSA-N 0 1 280.799 2.820 20 30 CFEDMN C=CCN1CC(CNC(=O)[C@@H]2C[C@H]2c2ccc(C)c(C)c2)C1 ZINC001032036731 779717748 /nfs/dbraw/zinc/71/77/48/779717748.db2.gz UVGLOTFODDUBFC-ZWKOTPCHSA-N 0 1 298.430 2.641 20 30 CFEDMN N#Cc1nc(-c2cc(F)ccc2F)cc2[nH]cnc21 ZINC001239709860 779722285 /nfs/dbraw/zinc/72/22/85/779722285.db2.gz QQUWBBHLVFETJW-UHFFFAOYSA-N 0 1 256.215 2.775 20 30 CFEDMN C=C(C)CN1CC(CNC(=O)[C@@H]2C[C@]2(CC)C(C)C)C1 ZINC001032086337 779730208 /nfs/dbraw/zinc/73/02/08/779730208.db2.gz JFTZTNLGZZUZBF-DOTOQJQBSA-N 0 1 278.440 2.683 20 30 CFEDMN C=CCN1CC(CNC(=O)c2[nH]ccc2-c2ccccc2)C1 ZINC001032122292 779741676 /nfs/dbraw/zinc/74/16/76/779741676.db2.gz HJFMUMJAMDUUMO-UHFFFAOYSA-N 0 1 295.386 2.529 20 30 CFEDMN C=CCN1CC(CNC(=O)c2cc(Cl)cc(Cl)c2)C1 ZINC001032149215 779747346 /nfs/dbraw/zinc/74/73/46/779747346.db2.gz WKFJGMHJNPMZET-UHFFFAOYSA-N 0 1 299.201 2.841 20 30 CFEDMN C=C(C)CN1CC(CNC(=O)c2ccc(F)cc2Cl)C1 ZINC001032166955 779751691 /nfs/dbraw/zinc/75/16/91/779751691.db2.gz LSBVTZCNHHKQJV-UHFFFAOYSA-N 0 1 296.773 2.717 20 30 CFEDMN C=CCN1CC(CNC(=O)c2c[nH]cc2-c2ccccc2)C1 ZINC001032186957 779754333 /nfs/dbraw/zinc/75/43/33/779754333.db2.gz ANYKWCMHEMAZQH-UHFFFAOYSA-N 0 1 295.386 2.529 20 30 CFEDMN C[C@@H]1CCCN(Cc2ccc(Cl)c(C#N)c2)[C@@H]1CO ZINC001238189364 779760697 /nfs/dbraw/zinc/76/06/97/779760697.db2.gz PRRPAGPJTYXFHO-IAQYHMDHSA-N 0 1 278.783 2.804 20 30 CFEDMN C=CCN1CC(CNC(=O)c2ccc(C(C)C)s2)C1 ZINC001032213172 779767689 /nfs/dbraw/zinc/76/76/89/779767689.db2.gz VFNKJELAFSNWPR-UHFFFAOYSA-N 0 1 278.421 2.719 20 30 CFEDMN C=C(C)CN1CC(CNC(=O)c2cccc(C3CC3)c2)C1 ZINC001032213410 779767940 /nfs/dbraw/zinc/76/79/40/779767940.db2.gz LUAVQRGIAKXWML-UHFFFAOYSA-N 0 1 284.403 2.802 20 30 CFEDMN C=C(C)CN1CC(CNC(=O)[C@H]2CCCC(C)(C)C2)C1 ZINC001032213722 779769186 /nfs/dbraw/zinc/76/91/86/779769186.db2.gz BQHGCZJQJOAEIE-HNNXBMFYSA-N 0 1 278.440 2.827 20 30 CFEDMN CCCCCCCN1CCO[C@@](C)(CNC(=O)C2CC2)C1 ZINC001107676232 779877628 /nfs/dbraw/zinc/87/76/28/779877628.db2.gz YGJXDNUKECNSRZ-KRWDZBQOSA-N 0 1 296.455 2.574 20 30 CFEDMN C=CCCCCC[N@H+]1CCO[C@@](C)(CNC(=O)C(C)C)C1 ZINC001107747826 779892838 /nfs/dbraw/zinc/89/28/38/779892838.db2.gz HIMYCHAPJFOHEL-KRWDZBQOSA-N 0 1 296.455 2.596 20 30 CFEDMN C=CCCCCCN1CCO[C@@](C)(CNC(=O)C(C)C)C1 ZINC001107747826 779892848 /nfs/dbraw/zinc/89/28/48/779892848.db2.gz HIMYCHAPJFOHEL-KRWDZBQOSA-N 0 1 296.455 2.596 20 30 CFEDMN C=CCCCN1CCO[C@@](C)(CNC(=O)C(CC)CC)C1 ZINC001107755860 779894325 /nfs/dbraw/zinc/89/43/25/779894325.db2.gz NIDTUZDTUJZUJJ-KRWDZBQOSA-N 0 1 296.455 2.596 20 30 CFEDMN C=C(C)CN1C[C@@H]2C[C@H]1CN2C(=O)C1=CCCCCC1 ZINC001032367350 779900654 /nfs/dbraw/zinc/90/06/54/779900654.db2.gz UHCGUWZWRUZSTQ-HOTGVXAUSA-N 0 1 274.408 2.738 20 30 CFEDMN C=CCCN1C[C@@H]2C[C@H]1CN2C(=O)c1ccsc1C ZINC001032395445 779924812 /nfs/dbraw/zinc/92/48/12/779924812.db2.gz DXMUWKJJCOORED-STQMWFEESA-N 0 1 276.405 2.531 20 30 CFEDMN C=C(C)CN1C[C@@H]2C[C@H]1CN2C(=O)[C@@H]1CCC=CCCC1 ZINC001032472169 779962781 /nfs/dbraw/zinc/96/27/81/779962781.db2.gz HSLWSHIFRGODAM-IKGGRYGDSA-N 0 1 288.435 2.984 20 30 CFEDMN C=C(C)CN1C[C@@H]2C[C@H]1CN2C(=O)CCc1ccc(C)cc1 ZINC001032510824 780001878 /nfs/dbraw/zinc/00/18/78/780001878.db2.gz LFROBPIWYSGMPA-ROUUACIJSA-N 0 1 298.430 2.789 20 30 CFEDMN C=C(C)CN1C[C@@H]2C[C@H]1CN2C(=O)[C@@H]1C[C@H]1C(C)(C)C ZINC001032515316 780006611 /nfs/dbraw/zinc/00/66/11/780006611.db2.gz REIJSCQUKLZENC-BYNSBNAKSA-N 0 1 276.424 2.530 20 30 CFEDMN C=CC(C)(C)CC(=O)NC[C@]1(C)CN(CCCC)CCO1 ZINC001107971773 780025592 /nfs/dbraw/zinc/02/55/92/780025592.db2.gz YJOAMJFGKWCUBK-QGZVFWFLSA-N 0 1 296.455 2.596 20 30 CFEDMN C=C(C)C(C)(C)C(=O)N1C[C@@H]2C[C@H]1C[N@@H+]2CC(C)C ZINC001032559133 780034494 /nfs/dbraw/zinc/03/44/94/780034494.db2.gz UPZKVNPROUMCKB-KBPBESRZSA-N 0 1 264.413 2.530 20 30 CFEDMN Cn1nc(C(F)(F)F)cc1-c1nccc2[nH]cc(C#N)c21 ZINC001240289930 780049475 /nfs/dbraw/zinc/04/94/75/780049475.db2.gz PJUNQCNEOGYFHF-UHFFFAOYSA-N 0 1 291.236 2.854 20 30 CFEDMN C=CCCCN1CCO[C@@](C)(CNC(=O)CCC(=C)C)C1 ZINC001107976780 780051308 /nfs/dbraw/zinc/05/13/08/780051308.db2.gz WETBTUQPLPPDHC-KRWDZBQOSA-N 0 1 294.439 2.516 20 30 CFEDMN C=C(C)CN1C[C@@H]2C[C@H]1CN2C(=O)C[C@@H]1CCCC1(F)F ZINC001032587123 780054190 /nfs/dbraw/zinc/05/41/90/780054190.db2.gz NFWYHAGUXMANIT-IHRRRGAJSA-N 0 1 298.377 2.673 20 30 CFEDMN C=C(C)CN1C[C@@H]2C[C@H]1CN2C(=O)CC1CC(C)(C)C1 ZINC001032583623 780054324 /nfs/dbraw/zinc/05/43/24/780054324.db2.gz VLAYACLIJUXMSP-GJZGRUSLSA-N 0 1 276.424 2.674 20 30 CFEDMN Cc1nc(C#N)cc(C2=CCCN(Cc3ccccc3)C2)n1 ZINC001240386399 780128977 /nfs/dbraw/zinc/12/89/77/780128977.db2.gz OBODWWQIADORPD-UHFFFAOYSA-N 0 1 290.370 2.946 20 30 CFEDMN C=CCC(CC=C)C(=O)NCCNCc1ccccc1F ZINC001128081353 780137275 /nfs/dbraw/zinc/13/72/75/780137275.db2.gz NITJQNBNUOYEMY-UHFFFAOYSA-N 0 1 290.382 2.800 20 30 CFEDMN C=C(C)CN1C[C@@H]2C[C@H]1CN2C(=O)[C@@H](C)c1ccc(C)cc1 ZINC001032738853 780161322 /nfs/dbraw/zinc/16/13/22/780161322.db2.gz QXRSUEBYOXDBME-SZMVWBNQSA-N 0 1 298.430 2.960 20 30 CFEDMN C=C(C)CN1C[C@@H]2C[C@H]1CN2C(=O)[C@H](C)c1ccccc1 ZINC001032739444 780164302 /nfs/dbraw/zinc/16/43/02/780164302.db2.gz CSMCPCCXHIGGOU-PVAVHDDUSA-N 0 1 284.403 2.651 20 30 CFEDMN C[C@]1(C(=O)NCCNCc2ccccc2C#N)CC=CCC1 ZINC001128113975 780191020 /nfs/dbraw/zinc/19/10/20/780191020.db2.gz UFVNROAUJUEXQF-SFHVURJKSA-N 0 1 297.402 2.510 20 30 CFEDMN C=C[C@H](COC)NCc1ccc(SC)c(OC)c1 ZINC001116640284 780204920 /nfs/dbraw/zinc/20/49/20/780204920.db2.gz MQGMPUAAZMEXQS-GFCCVEGCSA-N 0 1 267.394 2.708 20 30 CFEDMN N#Cc1nc(-c2cccc(-c3cc[nH]n3)c2)cc2[nH]cnc21 ZINC001240560777 780253419 /nfs/dbraw/zinc/25/34/19/780253419.db2.gz MLJLKBMAQCTSNK-UHFFFAOYSA-N 0 1 286.298 2.887 20 30 CFEDMN C=C(C)CN1CC[C@@]2(CCCN2Cc2ccsc2)C1=O ZINC001272937098 780315268 /nfs/dbraw/zinc/31/52/68/780315268.db2.gz YCCUYXFEUFNSJO-INIZCTEOSA-N 0 1 290.432 2.891 20 30 CFEDMN CCc1nnc(-c2ccc(O)c(F)c2)c(C#N)c1CC ZINC001240786021 780440602 /nfs/dbraw/zinc/44/06/02/780440602.db2.gz HTLFIIBYKZWDIS-UHFFFAOYSA-N 0 1 271.295 2.985 20 30 CFEDMN Cc1cc(-c2ccc(N3CCN(C)CC3)cc2)ncc1C#N ZINC001240849653 780475826 /nfs/dbraw/zinc/47/58/26/780475826.db2.gz ULKNIDHGBMKBIC-UHFFFAOYSA-N 0 1 292.386 2.681 20 30 CFEDMN CN1CCN(c2ccc(-c3ccc(C#N)c(F)n3)cc2)CC1 ZINC001240850213 780475955 /nfs/dbraw/zinc/47/59/55/780475955.db2.gz ARFJSOLHEKZXLH-UHFFFAOYSA-N 0 1 296.349 2.511 20 30 CFEDMN C=CCC(C)(C)C(=O)N[C@@H](C)CCNCc1nocc1C ZINC001273044050 780562457 /nfs/dbraw/zinc/56/24/57/780562457.db2.gz JZRYCEDAKZSLOS-ZDUSSCGKSA-N 0 1 293.411 2.570 20 30 CFEDMN C=CCN1CC[C@H](N(C)C(=O)c2ccc(C(C)C)nc2)C1 ZINC001033148146 780581765 /nfs/dbraw/zinc/58/17/65/780581765.db2.gz BSYMDFPEGCFRDU-HNNXBMFYSA-N 0 1 287.407 2.537 20 30 CFEDMN C#CCN1CC[C@@H](N(C)C(=O)C2CCCCCCC2)C1 ZINC001033252379 780632823 /nfs/dbraw/zinc/63/28/23/780632823.db2.gz FDCHDZWTOIQKSV-MRXNPFEDSA-N 0 1 276.424 2.513 20 30 CFEDMN C=CCN1CC[C@@H](N(C)C(=O)[C@@H]2C[C@]2(C)c2ccccc2)C1 ZINC001033282093 780640704 /nfs/dbraw/zinc/64/07/04/780640704.db2.gz DHYUQKLQFCYYPQ-ZIFCJYIRSA-N 0 1 298.430 2.683 20 30 CFEDMN C=CCN1CC[C@@H](N(C)C(=O)[C@@H]2C[C@@H]3CCCC[C@H]23)C1 ZINC001033291761 780641776 /nfs/dbraw/zinc/64/17/76/780641776.db2.gz PTDGERZNUXCGSI-XUWVNRHRSA-N 0 1 276.424 2.531 20 30 CFEDMN C=C1CC(C)(C(=O)N(C)[C@H]2CCN(C[C@H](F)CC)C2)C1 ZINC001033399611 780678749 /nfs/dbraw/zinc/67/87/49/780678749.db2.gz PKGXJBIHEVOHBT-KGLIPLIRSA-N 0 1 282.403 2.624 20 30 CFEDMN C=CCN1CC[C@@H](N(C)C(=O)c2c(C)cccc2C)C1 ZINC001033443788 780683184 /nfs/dbraw/zinc/68/31/84/780683184.db2.gz QXQOSFOELQWMTI-OAHLLOKOSA-N 0 1 272.392 2.636 20 30 CFEDMN C=CC[N@@H+]1CC[C@@H](N(C)C(=O)[C@H](C)c2cccc(C)c2)C1 ZINC001033457828 780687548 /nfs/dbraw/zinc/68/75/48/780687548.db2.gz DVBIAJYLNJQBKW-NVXWUHKLSA-N 0 1 286.419 2.817 20 30 CFEDMN C=CCN1CC[C@@H](N(C)C(=O)[C@H](C)c2cccc(C)c2)C1 ZINC001033457828 780687552 /nfs/dbraw/zinc/68/75/52/780687552.db2.gz DVBIAJYLNJQBKW-NVXWUHKLSA-N 0 1 286.419 2.817 20 30 CFEDMN C#C[C@H](CCC)NC(=O)c1ccc(CN(CC)CC)o1 ZINC000700592170 780702944 /nfs/dbraw/zinc/70/29/44/780702944.db2.gz HKKZYDIHRYRWDW-CYBMUJFWSA-N 0 1 276.380 2.653 20 30 CFEDMN C=C(C)CN1CC[C@@H](N(C)C(=O)c2csc(Cl)n2)C1 ZINC001033557763 780712591 /nfs/dbraw/zinc/71/25/91/780712591.db2.gz NZIWJOXTSLGZML-SNVBAGLBSA-N 0 1 299.827 2.519 20 30 CFEDMN C=CCN1CC[C@H](N(C)C(=O)c2cc3c(C)cccn3c2)C1 ZINC001033583386 780716758 /nfs/dbraw/zinc/71/67/58/780716758.db2.gz NRBIOYOGZSYNJD-INIZCTEOSA-N 0 1 297.402 2.580 20 30 CFEDMN CC#CCN1CC[C@@H](N(C)C(=O)[C@H](C)c2ccc(C)cc2)C1 ZINC001033589163 780719291 /nfs/dbraw/zinc/71/92/91/780719291.db2.gz JLITVOWVSJZVRA-SJLPKXTDSA-N 0 1 298.430 2.655 20 30 CFEDMN C=CCN1CC[C@H](N(C)C(=O)c2ccc(C3CC3)s2)C1 ZINC001033586119 780723279 /nfs/dbraw/zinc/72/32/79/780723279.db2.gz RUVOIVVJTIFGRA-ZDUSSCGKSA-N 0 1 290.432 2.958 20 30 CFEDMN CC#CCN1CC[C@H](N(C)C(=O)c2cccc(Cl)c2)C1 ZINC001033606771 780728162 /nfs/dbraw/zinc/72/81/62/780728162.db2.gz QYAOUEQQUHMGGY-HNNXBMFYSA-N 0 1 290.794 2.510 20 30 CFEDMN CC#CCN1CC[C@@H](N(C)C(=O)c2cccc(Cl)c2)C1 ZINC001033606772 780728199 /nfs/dbraw/zinc/72/81/99/780728199.db2.gz QYAOUEQQUHMGGY-OAHLLOKOSA-N 0 1 290.794 2.510 20 30 CFEDMN C=CCN1CC[C@H](N(C)C(=O)c2ccc(C)cc2C)C1 ZINC001033633604 780737802 /nfs/dbraw/zinc/73/78/02/780737802.db2.gz WSMYBHVDKWALHA-HNNXBMFYSA-N 0 1 272.392 2.636 20 30 CFEDMN CC#CCN1CC[C@@H](N(C)C(=O)[C@@H](C)c2ccccc2C)C1 ZINC001033677915 780746874 /nfs/dbraw/zinc/74/68/74/780746874.db2.gz FFMCXNMZYAXPNV-DLBZAZTESA-N 0 1 298.430 2.655 20 30 CFEDMN C=C(C)C[N@@H+]1CC[C@@H](N(CC)C(=O)c2occc2C)C1 ZINC001033743390 780773140 /nfs/dbraw/zinc/77/31/40/780773140.db2.gz XVTDRIPKNNSHTK-CQSZACIVSA-N 0 1 276.380 2.701 20 30 CFEDMN C=C(C)CN1CC[C@@H](N(CC)C(=O)c2occc2C)C1 ZINC001033743390 780773148 /nfs/dbraw/zinc/77/31/48/780773148.db2.gz XVTDRIPKNNSHTK-CQSZACIVSA-N 0 1 276.380 2.701 20 30 CFEDMN C=C(C)CN1CC[C@H](N(CC)C(=O)c2csnc2C)C1 ZINC001033800893 780789214 /nfs/dbraw/zinc/78/92/14/780789214.db2.gz BNOJBYBEGLHLQU-ZDUSSCGKSA-N 0 1 293.436 2.564 20 30 CFEDMN C=C(C)CN1CC[C@@H](N(CC)C(=O)c2coc(C)c2)C1 ZINC001033805110 780796653 /nfs/dbraw/zinc/79/66/53/780796653.db2.gz PSNQRXJFYZABBV-OAHLLOKOSA-N 0 1 276.380 2.701 20 30 CFEDMN C#CCCN1CC[C@@H](N(CC)C(=O)c2cc(C)cs2)C1 ZINC001033831525 780803132 /nfs/dbraw/zinc/80/31/32/780803132.db2.gz YXRAIZFCCXKZKH-CQSZACIVSA-N 0 1 290.432 2.616 20 30 CFEDMN C=CC[N@@H+]1CC[C@H](N(CC)C(=O)c2occc2CC)C1 ZINC001033940547 780839736 /nfs/dbraw/zinc/83/97/36/780839736.db2.gz HZPPPWSOJCZQQJ-AWEZNQCLSA-N 0 1 276.380 2.564 20 30 CFEDMN C=CCN1CC[C@H](N(CC)C(=O)c2occc2CC)C1 ZINC001033940547 780839743 /nfs/dbraw/zinc/83/97/43/780839743.db2.gz HZPPPWSOJCZQQJ-AWEZNQCLSA-N 0 1 276.380 2.564 20 30 CFEDMN C#CCC[N@@H+]1CC[C@H](N(CC)C(=O)c2ccc(C=C)cc2)C1 ZINC001033970492 780842960 /nfs/dbraw/zinc/84/29/60/780842960.db2.gz XWWCZOZJCVPMMG-SFHVURJKSA-N 0 1 296.414 2.889 20 30 CFEDMN C=CCN1CC[C@@H](N(CC)C(=O)c2cccc3cc[nH]c32)C1 ZINC001033961967 780845802 /nfs/dbraw/zinc/84/58/02/780845802.db2.gz AICKDUMOBGBYLU-OAHLLOKOSA-N 0 1 297.402 2.890 20 30 CFEDMN C=CC[N@@H+]1CC[C@@H](N(CC)C(=O)c2cc(F)cc(F)c2)C1 ZINC001034040159 780862937 /nfs/dbraw/zinc/86/29/37/780862937.db2.gz SNTYZECBBSVTAM-OAHLLOKOSA-N 0 1 294.345 2.687 20 30 CFEDMN C=CCN1CC[C@@H](N(CC)C(=O)c2cc(F)cc(F)c2)C1 ZINC001034040159 780862943 /nfs/dbraw/zinc/86/29/43/780862943.db2.gz SNTYZECBBSVTAM-OAHLLOKOSA-N 0 1 294.345 2.687 20 30 CFEDMN C=C(C)C[N@@H+]1CC[C@H](N(CC)C(=O)c2ccc(F)s2)C1 ZINC001034054794 780864335 /nfs/dbraw/zinc/86/43/35/780864335.db2.gz MJULCSPNXQEWFO-LBPRGKRZSA-N 0 1 296.411 3.000 20 30 CFEDMN C=C(C)CN1CC[C@H](N(CC)C(=O)c2ccc(F)s2)C1 ZINC001034054794 780864339 /nfs/dbraw/zinc/86/43/39/780864339.db2.gz MJULCSPNXQEWFO-LBPRGKRZSA-N 0 1 296.411 3.000 20 30 CFEDMN C=CCN1CCCC[C@H](NC(=O)c2oc(C)cc2C)C1 ZINC001034160736 780906690 /nfs/dbraw/zinc/90/66/90/780906690.db2.gz PYHNPBSOILBPLA-AWEZNQCLSA-N 0 1 276.380 2.667 20 30 CFEDMN CC#CCN1CCCC[C@H](NC(=O)c2oc(C)cc2C)C1 ZINC001034152720 780909582 /nfs/dbraw/zinc/90/95/82/780909582.db2.gz WQEPNGBHFRADLG-HNNXBMFYSA-N 0 1 288.391 2.504 20 30 CFEDMN C#CCN1CCCC[C@@H](NC(=O)C2CCCCCCC2)C1 ZINC001034304636 780945462 /nfs/dbraw/zinc/94/54/62/780945462.db2.gz WEVWJDWQKHPBIY-QGZVFWFLSA-N 0 1 290.451 2.951 20 30 CFEDMN C=CCCN1CCO[C@@](C)(CNC(=O)CC(C)=C(C)C)C1 ZINC001108125028 780947390 /nfs/dbraw/zinc/94/73/90/780947390.db2.gz WRHYPIVPEGWVST-KRWDZBQOSA-N 0 1 294.439 2.516 20 30 CFEDMN CC#CCN1CCCC[C@H](NC(=O)C(C)(C)C2CCC2)C1 ZINC001034332648 780947478 /nfs/dbraw/zinc/94/74/78/780947478.db2.gz XQPKSSNWEHYRLS-INIZCTEOSA-N 0 1 290.451 2.807 20 30 CFEDMN CC#CCN1CCCC[C@@H](NC(=O)[C@@H]2CCCC2(C)C)C1 ZINC001034355469 780950793 /nfs/dbraw/zinc/95/07/93/780950793.db2.gz PTLDKJCAKCQGHF-CVEARBPZSA-N 0 1 290.451 2.807 20 30 CFEDMN C=CCN1CCCC[C@@H](NC(=O)c2cccc(F)c2F)C1 ZINC001034368210 780954966 /nfs/dbraw/zinc/95/49/66/780954966.db2.gz KDOWOYFXNMLZPH-GFCCVEGCSA-N 0 1 294.345 2.735 20 30 CFEDMN C=CCN1CCCC[C@@H](NC(=O)c2coc(C(F)F)c2)C1 ZINC001034371451 780957295 /nfs/dbraw/zinc/95/72/95/780957295.db2.gz JATXDBATRJFBBC-GFCCVEGCSA-N 0 1 298.333 2.988 20 30 CFEDMN CC#CC[N@H+]1CCCC[C@@H](NC(=O)C2(C)CCCCC2)C1 ZINC001034377229 780961427 /nfs/dbraw/zinc/96/14/27/780961427.db2.gz JPUWGKVLXGHJCS-MRXNPFEDSA-N 0 1 290.451 2.951 20 30 CFEDMN CC#CCN1CCCC[C@@H](NC(=O)C2(C)CCCCC2)C1 ZINC001034377229 780961431 /nfs/dbraw/zinc/96/14/31/780961431.db2.gz JPUWGKVLXGHJCS-MRXNPFEDSA-N 0 1 290.451 2.951 20 30 CFEDMN C=CC[N@@H+]1CCCC[C@H](NC(=O)c2ccc(C)cc2F)C1 ZINC001034414833 780971239 /nfs/dbraw/zinc/97/12/39/780971239.db2.gz FSUMSASUKBTWNS-AWEZNQCLSA-N 0 1 290.382 2.904 20 30 CFEDMN C=CCN1CCCC[C@H](NC(=O)c2ccc(C)cc2F)C1 ZINC001034414833 780971242 /nfs/dbraw/zinc/97/12/42/780971242.db2.gz FSUMSASUKBTWNS-AWEZNQCLSA-N 0 1 290.382 2.904 20 30 CFEDMN C#CCN1CCCC[C@H](NC(=O)c2c(C)cccc2C)C1 ZINC001034416465 780971395 /nfs/dbraw/zinc/97/13/95/780971395.db2.gz BQCYKTYDEFICNK-INIZCTEOSA-N 0 1 284.403 2.521 20 30 CFEDMN C=CC[N@H+]1CCCC[C@H](NC(=O)C2Cc3ccccc3C2)C1 ZINC001034415061 780971572 /nfs/dbraw/zinc/97/15/72/780971572.db2.gz GXPCTYJDODRZSE-SFHVURJKSA-N 0 1 298.430 2.558 20 30 CFEDMN C#CCN1CCCC[C@H](NC(=O)c2csc(Cl)c2)C1 ZINC001034436005 780974561 /nfs/dbraw/zinc/97/45/61/780974561.db2.gz XOTPVNMOGFLFRC-LBPRGKRZSA-N 0 1 296.823 2.619 20 30 CFEDMN C#CCN1CCCC[C@@H](NC(=O)c2csc(Cl)c2)C1 ZINC001034436004 780975358 /nfs/dbraw/zinc/97/53/58/780975358.db2.gz XOTPVNMOGFLFRC-GFCCVEGCSA-N 0 1 296.823 2.619 20 30 CFEDMN C=CCN1CCCC[C@H](NC(=O)c2cc(C(C)C)no2)C1 ZINC001034438753 780976447 /nfs/dbraw/zinc/97/64/47/780976447.db2.gz PRSRJTFRLWIHQI-ZDUSSCGKSA-N 0 1 291.395 2.568 20 30 CFEDMN C=CCN1CCCC[C@H](NC(=O)c2csc(Cl)n2)C1 ZINC001034473014 780982767 /nfs/dbraw/zinc/98/27/67/780982767.db2.gz FLVOGAQWXFRXKO-JTQLQIEISA-N 0 1 299.827 2.567 20 30 CFEDMN C#CCN1CCCC[C@H](NC(=O)[C@H](C)c2ccc(C)cc2)C1 ZINC001034501185 780986480 /nfs/dbraw/zinc/98/64/80/780986480.db2.gz KZTUAVVMCHAXGT-AEFFLSMTSA-N 0 1 298.430 2.702 20 30 CFEDMN C#CCN1CCCC[C@@H](NC(=O)c2c(C)cc(C)cc2C)C1 ZINC001034520617 780993035 /nfs/dbraw/zinc/99/30/35/780993035.db2.gz IEUCZDBLLDAIQI-QGZVFWFLSA-N 0 1 298.430 2.829 20 30 CFEDMN C#CCN1CCCC[C@H](NC(=O)[C@H](C)c2ccccc2C)C1 ZINC001034537099 780994429 /nfs/dbraw/zinc/99/44/29/780994429.db2.gz KPUDVFIKBGOHBJ-SJORKVTESA-N 0 1 298.430 2.702 20 30 CFEDMN Cc1nc(N)ncc1-c1cc(/C=N/O)cc(C(F)(F)F)c1 ZINC001241647219 781045843 /nfs/dbraw/zinc/04/58/43/781045843.db2.gz VJIMWCUQVPLYBT-PTXOJBNSSA-N 0 1 296.252 2.861 20 30 CFEDMN Cc1[nH]nc2ccc(-c3cnc(F)c(C#N)c3)cc12 ZINC001241668845 781062539 /nfs/dbraw/zinc/06/25/39/781062539.db2.gz IFDUNEPMHOGLHE-UHFFFAOYSA-N 0 1 252.252 2.944 20 30 CFEDMN Cc1[nH]nc2ccc(-c3ccc(OCC#N)cn3)cc12 ZINC001241669730 781063755 /nfs/dbraw/zinc/06/37/55/781063755.db2.gz YOGBTHHOYXDMQE-UHFFFAOYSA-N 0 1 264.288 2.836 20 30 CFEDMN COc1cnc(-c2ccc3[nH]cnc3c2)c(C#N)c1 ZINC001241685787 781071922 /nfs/dbraw/zinc/07/19/22/781071922.db2.gz QLOMPMSHYHPYQK-UHFFFAOYSA-N 0 1 250.261 2.505 20 30 CFEDMN CSc1nc(C)c(C#N)c(-c2ccc3[nH]cnc3c2)n1 ZINC001241688075 781072776 /nfs/dbraw/zinc/07/27/76/781072776.db2.gz KABDPGDEFPKSTP-UHFFFAOYSA-N 0 1 281.344 2.922 20 30 CFEDMN COC(=O)c1ccc(C#N)cc1-c1ccc2[nH]cnc2c1 ZINC001241705124 781084571 /nfs/dbraw/zinc/08/45/71/781084571.db2.gz RGBPLDMWUGOYMM-UHFFFAOYSA-N 0 1 277.283 2.888 20 30 CFEDMN N#Cc1nc(-c2ccc3c(c2)CCCN3)cc2[nH]cnc21 ZINC001241833965 781148252 /nfs/dbraw/zinc/14/82/52/781148252.db2.gz MWPMWPQLMRSLPP-UHFFFAOYSA-N 0 1 275.315 2.855 20 30 CFEDMN C=CCN1CC2(C1)CCN(C(=O)C1(C3CC3)CCC1)CC2 ZINC001035761456 781164161 /nfs/dbraw/zinc/16/41/61/781164161.db2.gz ZOYLDMNUQJHZDT-UHFFFAOYSA-N 0 1 288.435 2.677 20 30 CFEDMN C=CCN1CC2(C1)CCN(C(=O)[C@H]1CCC[C@@H](C)C1)CC2 ZINC001035781414 781167336 /nfs/dbraw/zinc/16/73/36/781167336.db2.gz PZMOBWZTRCLDLU-CVEARBPZSA-N 0 1 290.451 2.923 20 30 CFEDMN C=CCN1CC2(C1)CCN(C(=O)[C@@H]1CC[C@H](C)C1)CC2 ZINC001035813682 781173843 /nfs/dbraw/zinc/17/38/43/781173843.db2.gz WFJCYARXYSQYGW-LSDHHAIUSA-N 0 1 276.424 2.533 20 30 CFEDMN CC#CCN1CC2(C1)CCN(C(=O)C(C)(CC)CC)CC2 ZINC001035854880 781179399 /nfs/dbraw/zinc/17/93/99/781179399.db2.gz GYDQBEZDUPHJMY-UHFFFAOYSA-N 0 1 290.451 2.760 20 30 CFEDMN N#Cc1nc(-c2ccc3nn[nH]c3c2)ccc1C(F)(F)F ZINC001241937961 781192008 /nfs/dbraw/zinc/19/20/08/781192008.db2.gz GHIROUPYROBXGJ-UHFFFAOYSA-N 0 1 289.220 2.910 20 30 CFEDMN N#Cc1nc(-c2ccc3[nH]nnc3c2)ccc1C(F)(F)F ZINC001241937961 781192013 /nfs/dbraw/zinc/19/20/13/781192013.db2.gz GHIROUPYROBXGJ-UHFFFAOYSA-N 0 1 289.220 2.910 20 30 CFEDMN N#Cc1ccc(C(F)(F)F)nc1-c1ccc2nn[nH]c2c1 ZINC001241938992 781192897 /nfs/dbraw/zinc/19/28/97/781192897.db2.gz VXDMNDQOWOJJQW-UHFFFAOYSA-N 0 1 289.220 2.910 20 30 CFEDMN COc1cccc(-c2ccc3[nH]nnc3c2)c1C#N ZINC001241940863 781194820 /nfs/dbraw/zinc/19/48/20/781194820.db2.gz BDFVDCQBLRKOOA-UHFFFAOYSA-N 0 1 250.261 2.505 20 30 CFEDMN COc1cccc(-c2ccc3nn[nH]c3c2)c1C#N ZINC001241940863 781194824 /nfs/dbraw/zinc/19/48/24/781194824.db2.gz BDFVDCQBLRKOOA-UHFFFAOYSA-N 0 1 250.261 2.505 20 30 CFEDMN COc1ccc(CC#N)cc1-c1ccc2[nH]nnc2c1 ZINC001241942845 781198394 /nfs/dbraw/zinc/19/83/94/781198394.db2.gz YYPHWICFLOZTDT-UHFFFAOYSA-N 0 1 264.288 2.700 20 30 CFEDMN COc1ccc(CC#N)cc1-c1ccc2nn[nH]c2c1 ZINC001241942845 781198400 /nfs/dbraw/zinc/19/84/00/781198400.db2.gz YYPHWICFLOZTDT-UHFFFAOYSA-N 0 1 264.288 2.700 20 30 CFEDMN N#Cc1c2c(cnc1-c1ccc3nn[nH]c3c1)CCCC2 ZINC001241942935 781198985 /nfs/dbraw/zinc/19/89/85/781198985.db2.gz ZJCFQOBYQCKBQX-UHFFFAOYSA-N 0 1 275.315 2.770 20 30 CFEDMN CN(C)C=Nc1ccc(-c2ccc3[nH]nnc3c2)cc1C#N ZINC001241943081 781199242 /nfs/dbraw/zinc/19/92/42/781199242.db2.gz VEUBHGGDIDMATH-VCHYOVAHSA-N 0 1 290.330 2.718 20 30 CFEDMN CN(C)C=Nc1ccc(-c2ccc3nn[nH]c3c2)cc1C#N ZINC001241943081 781199245 /nfs/dbraw/zinc/19/92/45/781199245.db2.gz VEUBHGGDIDMATH-VCHYOVAHSA-N 0 1 290.330 2.718 20 30 CFEDMN CC(=NO)c1ccc(-c2ccc3[nH]nnc3c2)cc1 ZINC001241944745 781199873 /nfs/dbraw/zinc/19/98/73/781199873.db2.gz RZKFALKHLYZXIY-RQZCQDPDSA-N 0 1 252.277 2.823 20 30 CFEDMN C/C(=N\O)c1ccc(-c2ccc3nn[nH]c3c2)cc1 ZINC001241944745 781199877 /nfs/dbraw/zinc/19/98/77/781199877.db2.gz RZKFALKHLYZXIY-RQZCQDPDSA-N 0 1 252.277 2.823 20 30 CFEDMN N#Cc1ncc(-c2ccc(O)c(C(F)(F)F)c2)nc1C#N ZINC001242158308 781307833 /nfs/dbraw/zinc/30/78/33/781307833.db2.gz XUTYESPCHYLQOK-UHFFFAOYSA-N 0 1 290.204 2.611 20 30 CFEDMN CCOC(=O)c1cc2ccc(-c3cncc(C#N)c3)[nH]c-2n1 ZINC001242271653 781354132 /nfs/dbraw/zinc/35/41/32/781354132.db2.gz FOBFBLGTQDNVPL-UHFFFAOYSA-N 0 1 292.298 2.673 20 30 CFEDMN CC(C)(C)c1nc2nc[nH]c2c(-c2cncc(C#N)c2)n1 ZINC001242271536 781354430 /nfs/dbraw/zinc/35/44/30/781354430.db2.gz CCQOHDORRWTWHS-UHFFFAOYSA-N 0 1 278.319 2.536 20 30 CFEDMN COc1cccc(-c2cc3[nH]cnc3cn2)c1C#N ZINC001242296884 781376435 /nfs/dbraw/zinc/37/64/35/781376435.db2.gz BVZKESFXYVPZSG-UHFFFAOYSA-N 0 1 250.261 2.505 20 30 CFEDMN COc1cc2[nH]cnc2cc1-c1cccnc1C#N ZINC001242310346 781387671 /nfs/dbraw/zinc/38/76/71/781387671.db2.gz HFYSAIUHWFPNQM-UHFFFAOYSA-N 0 1 250.261 2.505 20 30 CFEDMN CC1(C)CC(=O)C=C(c2ccc3c(c2)COC32CNC2)C1 ZINC001242317617 781394971 /nfs/dbraw/zinc/39/49/71/781394971.db2.gz SFEVBOXQHFOMEY-UHFFFAOYSA-N 0 1 283.371 2.788 20 30 CFEDMN C=C(Cl)CN1CC[C@H]2CN(C(=O)CC3CCC3)CC[C@H]21 ZINC001036677494 781404847 /nfs/dbraw/zinc/40/48/47/781404847.db2.gz CJSBNFNCTXINPY-LSDHHAIUSA-N 0 1 296.842 2.852 20 30 CFEDMN C=CCCCC(=O)NC[C@@]1(C)CN(CCCCC)CCO1 ZINC001108171590 781424529 /nfs/dbraw/zinc/42/45/29/781424529.db2.gz MIOMZFVLWQWSKR-KRWDZBQOSA-N 0 1 296.455 2.740 20 30 CFEDMN Cc1cc(-c2nccc3[nH]cc(C#N)c32)cnc1C#N ZINC001242354611 781429379 /nfs/dbraw/zinc/42/93/79/781429379.db2.gz IZZQMZFESSMZRY-UHFFFAOYSA-N 0 1 259.272 2.677 20 30 CFEDMN C=CCCCN1CCO[C@@](C)(CNC(=O)C(C)(C)CC)C1 ZINC001108173183 781432927 /nfs/dbraw/zinc/43/29/27/781432927.db2.gz MTNCMPOJJPFFLO-KRWDZBQOSA-N 0 1 296.455 2.596 20 30 CFEDMN C=CCN1C[C@]2(CC1=O)CCCCN2Cc1ccnc(C)c1 ZINC001273187021 781492272 /nfs/dbraw/zinc/49/22/72/781492272.db2.gz DVDPDRIMJBXAAV-GOSISDBHSA-N 0 1 299.418 2.533 20 30 CFEDMN Cc1cc(C#N)ccc1-c1cc(N2CCOCC2)ccn1 ZINC001242472206 781528013 /nfs/dbraw/zinc/52/80/13/781528013.db2.gz PBWYVJHCKCUXHG-UHFFFAOYSA-N 0 1 279.343 2.765 20 30 CFEDMN Cc1cc(C#N)cc(-c2cccc(N3CCN(C)CC3)n2)c1 ZINC001242477527 781531582 /nfs/dbraw/zinc/53/15/82/781531582.db2.gz YQSXQGLRVJYFIN-UHFFFAOYSA-N 0 1 292.386 2.681 20 30 CFEDMN C=C(C)CN1C[C@@H](C)[C@H](NC(=O)c2ccc(Cl)o2)C1 ZINC001079427637 781597851 /nfs/dbraw/zinc/59/78/51/781597851.db2.gz YDBFMDIMCLAJDF-GHMZBOCLSA-N 0 1 282.771 2.559 20 30 CFEDMN N#Cc1cc(-c2ncc(C(F)(F)F)cn2)ccc1O ZINC001242562396 781600405 /nfs/dbraw/zinc/60/04/05/781600405.db2.gz WFJAOLMMPXILEO-UHFFFAOYSA-N 0 1 265.194 2.740 20 30 CFEDMN N#Cc1cc(-c2ccc([C@@H]3CCC[NH2+]3)cn2)ccc1[O-] ZINC001242562705 781601806 /nfs/dbraw/zinc/60/18/06/781601806.db2.gz ITACYHRAKYNZAW-AWEZNQCLSA-N 0 1 265.316 2.750 20 30 CFEDMN CCc1cc(CC)nc(-c2ccc(O)c(C#N)c2)n1 ZINC001242562884 781601841 /nfs/dbraw/zinc/60/18/41/781601841.db2.gz KVFHKXJOOHHXDG-UHFFFAOYSA-N 0 1 253.305 2.846 20 30 CFEDMN C=C(C)CN1C[C@@H](C)[C@H](NC(=O)c2ccoc2Cl)C1 ZINC001079632335 781609828 /nfs/dbraw/zinc/60/98/28/781609828.db2.gz XTJZZTCFWHEFEP-ZYHUDNBSSA-N 0 1 282.771 2.559 20 30 CFEDMN C=CC(C)(C)C(=O)NCCCNCc1ncc(C(C)C)o1 ZINC001163957112 781617470 /nfs/dbraw/zinc/61/74/70/781617470.db2.gz CENKUOUJXZNWLQ-UHFFFAOYSA-N 0 1 293.411 2.606 20 30 CFEDMN Cc1ccc(-c2cccc(N3CCN(C)CC3)n2)c(C#N)c1 ZINC001242589896 781622841 /nfs/dbraw/zinc/62/28/41/781622841.db2.gz POLOPTAAHKWCQF-UHFFFAOYSA-N 0 1 292.386 2.681 20 30 CFEDMN C=CCN1C[C@@H](C)[C@H](NC(=O)c2coc3c2cccc3C)C1 ZINC001079856831 781622795 /nfs/dbraw/zinc/62/27/95/781622795.db2.gz OUQAZYAHXIYRLX-CZUORRHYSA-N 0 1 298.386 2.977 20 30 CFEDMN C=CC[N@@H+]1C[C@@H](C)[C@H](NC(=O)[C@@H]2CCCc3ccccc32)C1 ZINC001079963559 781629226 /nfs/dbraw/zinc/62/92/26/781629226.db2.gz ISGIKETUZIQGJB-ZTFGCOKTSA-N 0 1 298.430 2.729 20 30 CFEDMN C=CCN1C[C@@H](C)[C@H](NC(=O)C2(C3CCC3)CCC2)C1 ZINC001080208727 781640762 /nfs/dbraw/zinc/64/07/62/781640762.db2.gz UBBLXEQJRIGFKF-UKRRQHHQSA-N 0 1 276.424 2.579 20 30 CFEDMN C=CCN1C[C@@H](C)[C@H](NC(=O)C(C)(C)c2cccs2)C1 ZINC001080256420 781645871 /nfs/dbraw/zinc/64/58/71/781645871.db2.gz OQJOXZVZSALHBA-CHWSQXEVSA-N 0 1 292.448 2.648 20 30 CFEDMN C=CCN1C[C@@H](C)[C@H](NC(=O)c2ccc(Cl)c(C)c2)C1 ZINC001080379733 781653773 /nfs/dbraw/zinc/65/37/73/781653773.db2.gz NSMVOZPEEQHDIU-IUODEOHRSA-N 0 1 292.810 2.885 20 30 CFEDMN C=CCN1C[C@@H](C)[C@H](NC(=O)c2ccc(Cl)cc2C)C1 ZINC001080377556 781654127 /nfs/dbraw/zinc/65/41/27/781654127.db2.gz XYTABFMHWDZOKQ-IUODEOHRSA-N 0 1 292.810 2.885 20 30 CFEDMN C=C(C)CN1C[C@@H](C)[C@H](NC(=O)c2occc2Cl)C1 ZINC001080392542 781654705 /nfs/dbraw/zinc/65/47/05/781654705.db2.gz JNFJFPZCAUSGHF-ZYHUDNBSSA-N 0 1 282.771 2.559 20 30 CFEDMN C#CCN1C[C@@H](C)[C@H](NC(=O)c2cccc3ccsc32)C1 ZINC001080721438 781677010 /nfs/dbraw/zinc/67/70/10/781677010.db2.gz QDAZKSGGAXZXKI-IUODEOHRSA-N 0 1 298.411 2.585 20 30 CFEDMN CC#CCN1C[C@@H](C)[C@H](NC(=O)[C@H]2CC[C@H](CC)CC2)C1 ZINC001080818539 781678851 /nfs/dbraw/zinc/67/88/51/781678851.db2.gz OMSNQCPMOXGFTF-QBPKDAKJSA-N 0 1 290.451 2.663 20 30 CFEDMN CC#CCN1C[C@@H](C)[C@H](NC(=O)C2CC(C(C)(C)C)C2)C1 ZINC001081027167 781692050 /nfs/dbraw/zinc/69/20/50/781692050.db2.gz BKVHYNGJBXDMPS-PRLABOORSA-N 0 1 290.451 2.519 20 30 CFEDMN COC(=O)c1cc2cc(-c3ccccc3C#N)cnc2[nH]1 ZINC001242714691 781714755 /nfs/dbraw/zinc/71/47/55/781714755.db2.gz QCAWCOSMOOLDED-UHFFFAOYSA-N 0 1 277.283 2.888 20 30 CFEDMN COC(=O)c1cc2ccc(C3=CC(=O)C[C@H](C)C3)[nH]c-2n1 ZINC001242735750 781729044 /nfs/dbraw/zinc/72/90/44/781729044.db2.gz AWKBBSVJQRZTFF-SECBINFHSA-N 0 1 284.315 2.732 20 30 CFEDMN C=CCO[C@@H]1CCN(c2ccncc2C(F)(F)F)C1 ZINC001118926477 781732176 /nfs/dbraw/zinc/73/21/76/781732176.db2.gz NAQMIGRIFZXEFB-SNVBAGLBSA-N 0 1 272.270 2.882 20 30 CFEDMN C[C@@H]1CC(=O)C=C(c2cncc([C@@H]3CN4CCC3CC4)n2)C1 ZINC001242740896 781733780 /nfs/dbraw/zinc/73/37/80/781733780.db2.gz UKVHQUCDXMDTPB-BLLLJJGKSA-N 0 1 297.402 2.668 20 30 CFEDMN CC#CCN1CC[C@@H]2CN(C(=O)CC3(C)CCCC3)[C@@H]2C1 ZINC001084323542 781787500 /nfs/dbraw/zinc/78/75/00/781787500.db2.gz XQXYTJMIWVYMRJ-HZPDHXFCSA-N 0 1 288.435 2.513 20 30 CFEDMN C=CCN1CC[C@@H]2CN(C(=O)CC3(C)CCCC3)[C@@H]2C1 ZINC001084324671 781787925 /nfs/dbraw/zinc/78/79/25/781787925.db2.gz QGIBBFSEHHDIRE-HUUCEWRRSA-N 0 1 276.424 2.676 20 30 CFEDMN C#CCN1CCC(N(C)C(=O)[C@H]2CCCC[C@H]2CC)CC1 ZINC001006212321 781818128 /nfs/dbraw/zinc/81/81/28/781818128.db2.gz SYWZTKNBCWTWOB-WBVHZDCISA-N 0 1 290.451 2.759 20 30 CFEDMN C=CCN1CC[C@@H]2CN(C(=O)c3ccc(C)cc3C)[C@@H]2C1 ZINC001084808251 781839985 /nfs/dbraw/zinc/83/99/85/781839985.db2.gz FWUNMAVQQZCLME-NVXWUHKLSA-N 0 1 284.403 2.636 20 30 CFEDMN N#CC[C@@H](Oc1nc[nH]c(=O)c1Cl)c1ccccc1 ZINC001230015703 781840461 /nfs/dbraw/zinc/84/04/61/781840461.db2.gz AHUBYKBCJCZOFY-SNVBAGLBSA-N 0 1 275.695 2.869 20 30 CFEDMN C=CCN1CC[C@@H]2CN(C(=O)[C@H](C)Cc3ccccc3)[C@@H]2C1 ZINC001084845533 781845948 /nfs/dbraw/zinc/84/59/48/781845948.db2.gz UNDIMNWKEOOOKH-KBAYOESNSA-N 0 1 298.430 2.584 20 30 CFEDMN C=CCN1CC[C@@H]2CN(C(=O)[C@@H]3CC4CCC3CC4)[C@@H]2C1 ZINC001084855687 781847612 /nfs/dbraw/zinc/84/76/12/781847612.db2.gz DIXYYDRYHOLTKL-SWHNLWLKSA-N 0 1 288.435 2.531 20 30 CFEDMN CSc1cncc(-c2cc3[nH]cnc3c(C#N)n2)c1 ZINC001242945375 781861948 /nfs/dbraw/zinc/86/19/48/781861948.db2.gz AJEFBDATGSZWFQ-UHFFFAOYSA-N 0 1 267.317 2.613 20 30 CFEDMN C=CCCn1cc(CNC[C@@H](SC)C(C)(C)C)nn1 ZINC000594943738 349522909 /nfs/dbraw/zinc/52/29/09/349522909.db2.gz PEHZESKQZCEKTI-CYBMUJFWSA-N 0 1 282.457 2.722 20 30 CFEDMN N#CC1(c2ccc(CNCc3n[nH]c(C4CC4)n3)cc2)CC1 ZINC000594958795 349529033 /nfs/dbraw/zinc/52/90/33/349529033.db2.gz PBWWFOVAUQBIKD-UHFFFAOYSA-N 0 1 293.374 2.527 20 30 CFEDMN COc1cccc(CNC(C)(C)c2cccc(C#N)c2)n1 ZINC000594970228 349535867 /nfs/dbraw/zinc/53/58/67/349535867.db2.gz VOWVRXJQKDFVDJ-UHFFFAOYSA-N 0 1 281.359 2.987 20 30 CFEDMN CC(C)(NCc1cnn2c1CCC2)c1cccc(C#N)c1 ZINC000594967620 349533774 /nfs/dbraw/zinc/53/37/74/349533774.db2.gz FTVNBBSTQQMFGD-UHFFFAOYSA-N 0 1 280.375 2.726 20 30 CFEDMN C[C@@H](NCCO[C@@H]1CC1(F)F)c1ccc(C#N)cc1F ZINC000595067744 349573534 /nfs/dbraw/zinc/57/35/34/349573534.db2.gz HWPMTHVKAZTQME-NOZJJQNGSA-N 0 1 284.281 2.772 20 30 CFEDMN COc1cccc(OC)c1CN[C@@H]1CCC[C@H](C#N)C1 ZINC000595074671 349575443 /nfs/dbraw/zinc/57/54/43/349575443.db2.gz SUIPSTKAKLZVCF-QWHCGFSZSA-N 0 1 274.364 2.876 20 30 CFEDMN CO[C@H](CN(CCC#N)CC1CC1)C1CCCC1 ZINC000595332552 349604036 /nfs/dbraw/zinc/60/40/36/349604036.db2.gz KHYQTSBPLJGVOV-OAHLLOKOSA-N 0 1 250.386 2.817 20 30 CFEDMN CO[C@@H](CN1CCC[C@](C)(C#N)C1)C1CCCC1 ZINC000595425085 349621271 /nfs/dbraw/zinc/62/12/71/349621271.db2.gz IYZGFILPGRAPSE-LSDHHAIUSA-N 0 1 250.386 2.817 20 30 CFEDMN CC(C)c1cccc(CN2CC[C@](O)(CC#N)C2)c1 ZINC000595556419 349658773 /nfs/dbraw/zinc/65/87/73/349658773.db2.gz DTQWEGSNJLYYBU-MRXNPFEDSA-N 0 1 258.365 2.660 20 30 CFEDMN CC(C)(C)c1cccc(CN2CC[C@@](O)(CC#N)C2)c1 ZINC000595559497 349659713 /nfs/dbraw/zinc/65/97/13/349659713.db2.gz TVGNROHIJMLYRC-KRWDZBQOSA-N 0 1 272.392 2.835 20 30 CFEDMN CN(Cc1cccc(C#N)c1F)[C@@H](CO)Cc1ccccc1 ZINC000595593912 349667682 /nfs/dbraw/zinc/66/76/82/349667682.db2.gz ZOAAKRAXKOWYKT-QGZVFWFLSA-N 0 1 298.361 2.733 20 30 CFEDMN N#CC[C@@H]1CCCN(Cc2ccc3c(c2)OCCO3)C1 ZINC000595620594 349679186 /nfs/dbraw/zinc/67/91/86/349679186.db2.gz NNXHYKPLWHMUHP-ZDUSSCGKSA-N 0 1 272.348 2.583 20 30 CFEDMN CC[C@@H]1CCCCN1C(=O)[C@@H](C)N1CCC[C@H](CC#N)C1 ZINC000595609010 349673668 /nfs/dbraw/zinc/67/36/68/349673668.db2.gz DUSVKCDFLZTTQC-BZUAXINKSA-N 0 1 291.439 2.792 20 30 CFEDMN CC(C)[C@@H](C)NC(=O)CNC(C)(C)c1cccc(C#N)c1 ZINC000595641389 349687012 /nfs/dbraw/zinc/68/70/12/349687012.db2.gz KLNGVYFUFZRNAZ-CYBMUJFWSA-N 0 1 287.407 2.544 20 30 CFEDMN CC(C)(NCC(=O)N1CCCCCC1)c1cccc(C#N)c1 ZINC000595642808 349687752 /nfs/dbraw/zinc/68/77/52/349687752.db2.gz ULTKWAFYTSNMSB-UHFFFAOYSA-N 0 1 299.418 2.786 20 30 CFEDMN COC(C)(C)CCN1CCN(c2ccsc2C#N)CC1 ZINC000595629759 349682979 /nfs/dbraw/zinc/68/29/79/349682979.db2.gz KMSOMAIXTKJLOK-UHFFFAOYSA-N 0 1 293.436 2.557 20 30 CFEDMN CC(C)(C)c1nc(CNC(C)(C)c2cccc(C#N)c2)n[nH]1 ZINC000595632613 349683742 /nfs/dbraw/zinc/68/37/42/349683742.db2.gz HJNVDDJYLPIOLB-UHFFFAOYSA-N 0 1 297.406 2.999 20 30 CFEDMN C=CC[C@@H]1CCCN(Cc2occc2C(=O)OC)C1 ZINC000595658720 349692415 /nfs/dbraw/zinc/69/24/15/349692415.db2.gz IGOUHVIVPFWNMY-GFCCVEGCSA-N 0 1 263.337 2.854 20 30 CFEDMN CC[C@@H](NCc1c(C#N)cccc1[N+](=O)[O-])C1CC1 ZINC000595764569 349727009 /nfs/dbraw/zinc/72/70/09/349727009.db2.gz BRWXZXZKQMJRCU-CYBMUJFWSA-N 0 1 259.309 2.745 20 30 CFEDMN C[C@]1(C#N)CCN(CCCOCCc2ccccc2)C1 ZINC000595839342 349750349 /nfs/dbraw/zinc/75/03/49/349750349.db2.gz IARDZMWVAIFUME-QGZVFWFLSA-N 0 1 272.392 2.871 20 30 CFEDMN C=C1C[C@H]2CC[C@@H](C1)N2[C@@H](C)C(=O)OC(C)(C)C ZINC000595845576 349753798 /nfs/dbraw/zinc/75/37/98/349753798.db2.gz QSVSAVIGQDKZCY-RWMBFGLXSA-N 0 1 251.370 2.900 20 30 CFEDMN CC12CC(C1)CN2Cc1cn2ccccc2c1C#N ZINC000595915718 349768586 /nfs/dbraw/zinc/76/85/86/349768586.db2.gz MGKBWFJTBBVDEJ-UHFFFAOYSA-N 0 1 251.333 2.795 20 30 CFEDMN Cc1cc(C[C@@H](C)Nc2nc3ncccc3cc2C#N)[nH]n1 ZINC000596166619 349815350 /nfs/dbraw/zinc/81/53/50/349815350.db2.gz WTHMLCHBXRMGEZ-SNVBAGLBSA-N 0 1 292.346 2.576 20 30 CFEDMN CCc1nc([C@@H](C)NC(=O)C2(C3CC3)CCOCC2)n[nH]1 ZINC000329596399 529744538 /nfs/dbraw/zinc/74/45/38/529744538.db2.gz CBNBQPYYIXOQMB-SNVBAGLBSA-N 0 1 292.383 2.591 20 30 CFEDMN C[NH+](C)CC1CCC(N=c2[n-]c(C#N)c(Cl)s2)CC1 ZINC000596172001 349817087 /nfs/dbraw/zinc/81/70/87/349817087.db2.gz SAFKTHSLTYDRHJ-UHFFFAOYSA-N 0 1 298.843 2.622 20 30 CFEDMN CC(C)(CN=c1[n-]c(C#N)c(Cl)s1)C[NH+]1CCCC1 ZINC000596208102 349827130 /nfs/dbraw/zinc/82/71/30/349827130.db2.gz VSLZZWWZTWFBOS-UHFFFAOYSA-N 0 1 298.843 2.624 20 30 CFEDMN CO[C@@H](CNc1nc(C#N)c(Cl)s1)CC(C)C ZINC000596271528 349849431 /nfs/dbraw/zinc/84/94/31/349849431.db2.gz HGYGESIDSOPFQJ-MRVPVSSYSA-N 0 1 273.789 2.563 20 30 CFEDMN N#Cc1nc(NC[C@@H]2CCC3(CCCC3)O2)sc1Cl ZINC000596296066 349855811 /nfs/dbraw/zinc/85/58/11/349855811.db2.gz FWTMCSORRDPWMU-VIFPVBQESA-N 0 1 297.811 2.994 20 30 CFEDMN C[C@H](c1ccccc1)N1CCN(c2cc(C#N)ccn2)CC1 ZINC000073957170 346986438 /nfs/dbraw/zinc/98/64/38/346986438.db2.gz PQCKPVBDWPPOPS-OAHLLOKOSA-N 0 1 292.386 2.836 20 30 CFEDMN CCC1(C)CCN([C@H](C(N)=O)c2ccc(C#N)cc2)CC1 ZINC000360285747 282346192 /nfs/dbraw/zinc/34/61/92/282346192.db2.gz LPNLMQVUYVFTCF-HNNXBMFYSA-N 0 1 285.391 2.597 20 30 CFEDMN C#CCOc1ccc(CNCc2ccc(COC)o2)cc1 ZINC000295134367 199364522 /nfs/dbraw/zinc/36/45/22/199364522.db2.gz YXLNQLWBIKWNRR-UHFFFAOYSA-N 0 1 285.343 2.728 20 30 CFEDMN CN(C)[C@@H](C/N=C/c1cccc(O)c1O)c1ccsc1 ZINC000026432202 346264976 /nfs/dbraw/zinc/26/49/76/346264976.db2.gz WETINGUMFXSZTB-MJOIQJIUSA-N 0 1 290.388 2.881 20 30 CFEDMN CC(C)C1CCN([C@@H](C)C(=O)N[C@](C)(C#N)C(C)C)CC1 ZINC000075833781 347102314 /nfs/dbraw/zinc/10/23/14/347102314.db2.gz UTIFJXSUWYBCIE-WMLDXEAASA-N 0 1 293.455 2.797 20 30 CFEDMN N#Cc1ccccc1N1CCN([C@@H]2C=CCCC2)CC1 ZINC000066497528 346765045 /nfs/dbraw/zinc/76/50/45/346765045.db2.gz PHWZIFCVSLWQGW-MRXNPFEDSA-N 0 1 267.376 2.789 20 30 CFEDMN Cc1nn(C)c(C)c1NC(=O)CN1CCC[C@@H]1C1CCC1 ZINC000328944186 539551002 /nfs/dbraw/zinc/55/10/02/539551002.db2.gz URIHDYDDZAFSCM-CQSZACIVSA-N 0 1 290.411 2.889 20 30 CFEDMN CC[C@]1(C)CCCN([C@@H](C)C(=O)N[C@@](C)(C#N)C(C)C)C1 ZINC000075999209 347113897 /nfs/dbraw/zinc/11/38/97/347113897.db2.gz GYMNLLLXBYOBST-UAGQMJEPSA-N 0 1 293.455 2.941 20 30 CFEDMN C[C@@H]1CN(Cc2ccccc2)CCN1c1ncccc1C#N ZINC000076691222 347148352 /nfs/dbraw/zinc/14/83/52/347148352.db2.gz NBNPACASQILPMF-OAHLLOKOSA-N 0 1 292.386 2.664 20 30 CFEDMN COCC#CCN1CCS[C@@H](C)[C@H]1c1ccccc1 ZINC000677133146 539555072 /nfs/dbraw/zinc/55/50/72/539555072.db2.gz JTJFJTBVBHJEOT-HOCLYGCPSA-N 0 1 275.417 2.815 20 30 CFEDMN C[S@](=O)c1ccc(CNCc2cc(C#N)cs2)cc1 ZINC000080343285 347354751 /nfs/dbraw/zinc/35/47/51/347354751.db2.gz XKOJNYFVNKZLFT-LJQANCHMSA-N 0 1 290.413 2.647 20 30 CFEDMN N#Cc1ccc(N2CCC(c3nc[nH]n3)CC2)cc1Cl ZINC000081036776 347399308 /nfs/dbraw/zinc/39/93/08/347399308.db2.gz LCKMJGDTFRQRHW-UHFFFAOYSA-N 0 1 287.754 2.714 20 30 CFEDMN Cc1cccc(N2CCN(CC3(CC#N)CC3)CC2)c1 ZINC000088259237 347500589 /nfs/dbraw/zinc/50/05/89/347500589.db2.gz ZHFUKBVSKJTJAT-UHFFFAOYSA-N 0 1 269.392 2.811 20 30 CFEDMN N#Cc1ccc(CN2CCC[C@@H]2C[C@H](O)c2ccco2)o1 ZINC000091958599 347603768 /nfs/dbraw/zinc/60/37/68/347603768.db2.gz SUTJTCPJDABFNO-DOMZBBRYSA-N 0 1 286.331 2.832 20 30 CFEDMN C=CCCC[C@H](C)N1CCN(C(=O)c2ccco2)CC1 ZINC000091506540 347591009 /nfs/dbraw/zinc/59/10/09/347591009.db2.gz WHBABDKPRTXSIA-AWEZNQCLSA-N 0 1 276.380 2.782 20 30 CFEDMN Cc1cc(C[C@@H](C)Nc2snc(Cl)c2C#N)[nH]n1 ZINC000092685742 347640389 /nfs/dbraw/zinc/64/03/89/347640389.db2.gz DGCUEXXLTZKAPL-ZCFIWIBFSA-N 0 1 281.772 2.743 20 30 CFEDMN CCOC(=O)C1(C)CCN(Cc2ccc(C#N)cc2)CC1 ZINC000092823903 347648314 /nfs/dbraw/zinc/64/83/14/347648314.db2.gz CIHAEGXNDNGBAK-UHFFFAOYSA-N 0 1 286.375 2.723 20 30 CFEDMN CC#CCN1CC[C@@H](Oc2ccc(C(F)(F)F)cn2)C1 ZINC000093329132 347670121 /nfs/dbraw/zinc/67/01/21/347670121.db2.gz UXBVZWHCIUJGJO-GFCCVEGCSA-N 0 1 284.281 2.577 20 30 CFEDMN CN(Cc1ccc(C#N)o1)[C@H](CCO)c1ccccc1 ZINC000093442497 347673982 /nfs/dbraw/zinc/67/39/82/347673982.db2.gz DAHTWAYRULQUDI-MRXNPFEDSA-N 0 1 270.332 2.707 20 30 CFEDMN C=CC1CCN(CC(=O)N(C)Cc2cccs2)CC1 ZINC000111693165 347756394 /nfs/dbraw/zinc/75/63/94/347756394.db2.gz FZRCEHMZIQHHGC-UHFFFAOYSA-N 0 1 278.421 2.605 20 30 CFEDMN C=CCOc1ccccc1CNCc1cccn1C ZINC000119175010 347801102 /nfs/dbraw/zinc/80/11/02/347801102.db2.gz PIGDVZVOZWVKPS-UHFFFAOYSA-N 0 1 256.349 2.880 20 30 CFEDMN Cc1nc2c(n1Cc1cccc(C#N)c1)CCCC2 ZINC000160710287 348019746 /nfs/dbraw/zinc/01/97/46/348019746.db2.gz APLQSYGTVJAKPW-UHFFFAOYSA-N 0 1 251.333 2.990 20 30 CFEDMN CCOC(=O)C1CCN(Cc2ccc(C#N)cc2C)CC1 ZINC000165436611 348038602 /nfs/dbraw/zinc/03/86/02/348038602.db2.gz LQIRSSGGVRSSOF-UHFFFAOYSA-N 0 1 286.375 2.642 20 30 CFEDMN Cc1ccc(NC(=O)CN(C)CCCCC#N)cc1 ZINC000198668149 348150469 /nfs/dbraw/zinc/15/04/69/348150469.db2.gz OGBNBAFSVJIZOJ-UHFFFAOYSA-N 0 1 259.353 2.559 20 30 CFEDMN C[C@H](CCC#N)N1CCN(c2ccc(F)cc2)CC1 ZINC000220060628 348169158 /nfs/dbraw/zinc/16/91/58/348169158.db2.gz GCUMJIUPPODTGN-CYBMUJFWSA-N 0 1 261.344 2.640 20 30 CFEDMN C=CCOc1ccccc1C[N@@H+]1C[C@H]2COC[C@@]2(C)C1 ZINC000668594822 539605050 /nfs/dbraw/zinc/60/50/50/539605050.db2.gz HIVPSBMSMZNTPG-DOTOQJQBSA-N 0 1 273.376 2.720 20 30 CFEDMN N#Cc1ccccc1C[N@H+]1[C@H](C(=O)[O-])C[C@H]2CCCC[C@@H]21 ZINC000227221083 348186049 /nfs/dbraw/zinc/18/60/49/348186049.db2.gz NQUQTZOMPJAIMU-KCXAZCMYSA-N 0 1 284.359 2.776 20 30 CFEDMN C#C[C@H](CC)NCc1cc(Cl)ccc1[N+](=O)[O-] ZINC000229959631 348203989 /nfs/dbraw/zinc/20/39/89/348203989.db2.gz AXCUODVKRYWVOP-LLVKDONJSA-N 0 1 252.701 2.750 20 30 CFEDMN N#C[C@H]1CC[C@H](Sc2nc(-c3ccccn3)n[nH]2)C1 ZINC000278643781 348338894 /nfs/dbraw/zinc/33/88/94/348338894.db2.gz VMDGFXJJPJNZBU-UWVGGRQHSA-N 0 1 271.349 2.651 20 30 CFEDMN N#C[C@@H]1CC[C@H](N2CCC3(C2)Oc2ccccc2O3)C1 ZINC000293545825 348362866 /nfs/dbraw/zinc/36/28/66/348362866.db2.gz KQPNZURFSQHCRE-OLZOCXBDSA-N 0 1 270.332 2.552 20 30 CFEDMN CC[C@@H]1CN(Cc2ccc(C#N)cc2C)[C@H](C)CO1 ZINC000403881144 348588526 /nfs/dbraw/zinc/58/85/26/348588526.db2.gz TVKDOHYEOWIJDK-CZUORRHYSA-N 0 1 258.365 2.866 20 30 CFEDMN C=CCOc1ccc(CNCc2ccc(C)nn2)cc1 ZINC000396540641 348559156 /nfs/dbraw/zinc/55/91/56/348559156.db2.gz LCYUJQIVBKLXNT-UHFFFAOYSA-N 0 1 269.348 2.640 20 30 CFEDMN CCC[C@@H](C(=O)OCC)N1CCC(CCC#N)CC1 ZINC000399356626 348569305 /nfs/dbraw/zinc/56/93/05/348569305.db2.gz DNNYQEZRHIWNSM-AWEZNQCLSA-N 0 1 266.385 2.734 20 30 CFEDMN C=CCN(CCn1ccccc1=O)Cc1ccc(OC)cc1 ZINC000586829700 348757235 /nfs/dbraw/zinc/75/72/35/348757235.db2.gz VYYBPGUQNHSYFV-UHFFFAOYSA-N 0 1 298.386 2.545 20 30 CFEDMN N#CC1(CC(=O)NCc2nc3ccc(Cl)cc3[nH]2)CC1 ZINC000590240753 348886487 /nfs/dbraw/zinc/88/64/87/348886487.db2.gz OLKCGNOWLYMFJW-UHFFFAOYSA-N 0 1 288.738 2.526 20 30 CFEDMN N#Cc1nc(N2CCN(C3CCCC3)CC2)sc1Cl ZINC000590570849 348909750 /nfs/dbraw/zinc/90/97/50/348909750.db2.gz FXPDTYXVQJNVCA-UHFFFAOYSA-N 0 1 296.827 2.733 20 30 CFEDMN C[C@H](CC#N)N(C)C[C@H]1CCCN(C(=O)C(C)(C)C)C1 ZINC000590602107 348913619 /nfs/dbraw/zinc/91/36/19/348913619.db2.gz FLYXJXHWYXHXSF-ZIAGYGMSSA-N 0 1 279.428 2.505 20 30 CFEDMN Cc1cc(C#N)ccc1CN1CCCc2c(cnn2C)C1 ZINC000591041371 348981422 /nfs/dbraw/zinc/98/14/22/348981422.db2.gz DXMYRRLNJCVUGK-UHFFFAOYSA-N 0 1 280.375 2.549 20 30 CFEDMN COC(=O)c1cccc(CN2CC[C@@H](C3CCC3)C2)c1C#N ZINC000591063026 348982465 /nfs/dbraw/zinc/98/24/65/348982465.db2.gz GYNFXTAMLUGYBW-CQSZACIVSA-N 0 1 298.386 2.967 20 30 CFEDMN N#Cc1cnc(NC[C@H]2CCCCN2C2CC2)c(F)c1 ZINC000591159106 348994624 /nfs/dbraw/zinc/99/46/24/348994624.db2.gz CKZURPSTPIXWHZ-CYBMUJFWSA-N 0 1 274.343 2.521 20 30 CFEDMN N#C[C@H]1CC[C@@H](NCc2ncccc2C(F)(F)F)C1 ZINC000591639679 349036521 /nfs/dbraw/zinc/03/65/21/349036521.db2.gz AAZQLOWLUBRRTG-VHSXEESVSA-N 0 1 269.270 2.882 20 30 CFEDMN CCN(CCNC[C@H](C#N)CCC#N)c1cccc(C)c1 ZINC000591723167 349039338 /nfs/dbraw/zinc/03/93/38/349039338.db2.gz JGOZVDFNPGDNNR-INIZCTEOSA-N 0 1 284.407 2.854 20 30 CFEDMN CC(C)C[C@H](N)c1noc(Cc2cccc(C#N)c2)n1 ZINC000592353115 349106783 /nfs/dbraw/zinc/10/67/83/349106783.db2.gz URGFWVAQCVJVQZ-ZDUSSCGKSA-N 0 1 270.336 2.578 20 30 CFEDMN CC(C)C[C@H](N)c1noc(CCCCCC#N)n1 ZINC000592353892 349107016 /nfs/dbraw/zinc/10/70/16/349107016.db2.gz OLUNXYNOQNLPNY-NSHDSACASA-N 0 1 250.346 2.742 20 30 CFEDMN N#Cc1ccc(CN2CCN(CC3=CCCC3)CC2)cc1 ZINC000592058937 349077403 /nfs/dbraw/zinc/07/74/03/349077403.db2.gz RIFFOIPOEUGRRF-UHFFFAOYSA-N 0 1 281.403 2.786 20 30 CFEDMN COc1ccc([C@@H]2CCN(Cc3ccncc3C#N)C2)cc1 ZINC000592066107 349078404 /nfs/dbraw/zinc/07/84/04/349078404.db2.gz IBCBSPKJGRPGSE-MRXNPFEDSA-N 0 1 293.370 2.951 20 30 CFEDMN C[C@@H]1CC[C@]2(CCN(Cc3ccncc3C#N)C2)C1 ZINC000592099358 349082235 /nfs/dbraw/zinc/08/22/35/349082235.db2.gz GUJKMBVSIUOWEB-CJNGLKHVSA-N 0 1 255.365 2.965 20 30 CFEDMN N#Cc1cnccc1CN1CCCC[C@@H]1[C@H]1CCCC[C@H]1O ZINC000592120480 349086427 /nfs/dbraw/zinc/08/64/27/349086427.db2.gz CISKDLYCYMXACZ-KZNAEPCWSA-N 0 1 299.418 2.859 20 30 CFEDMN N#CC[C@@H](Cc1nc([C@@H]2CCCN2)no1)c1ccccc1 ZINC000592356186 349107599 /nfs/dbraw/zinc/10/75/99/349107599.db2.gz GLTNUVORKCFRBM-KBPBESRZSA-N 0 1 282.347 2.734 20 30 CFEDMN N#CC1(c2ccc(-c3nc([C@H]4CCCN4)no3)cc2)CC1 ZINC000592357206 349107602 /nfs/dbraw/zinc/10/76/02/349107602.db2.gz UOIZBTMIFRSCLT-CYBMUJFWSA-N 0 1 280.331 2.716 20 30 CFEDMN N#CC[C@]1(O)CCN(CCOc2cccc3ccccc32)C1 ZINC000592152076 349092584 /nfs/dbraw/zinc/09/25/84/349092584.db2.gz TWSNXHQBYGGDGC-SFHVURJKSA-N 0 1 296.370 2.569 20 30 CFEDMN N#CC[C@@]1(O)CCN(CCOc2cccc3ccccc32)C1 ZINC000592152075 349092621 /nfs/dbraw/zinc/09/26/21/349092621.db2.gz TWSNXHQBYGGDGC-GOSISDBHSA-N 0 1 296.370 2.569 20 30 CFEDMN COc1ccccc1C1(N[C@H]2CC[C@@H](C#N)C2)CC1 ZINC000592394691 349114460 /nfs/dbraw/zinc/11/44/60/349114460.db2.gz RBOAAFPWMRRBDS-OLZOCXBDSA-N 0 1 256.349 2.966 20 30 CFEDMN Cc1nc2cccc(C(=O)NCC3(C#N)CCCC3)c2[nH]1 ZINC000593787147 349327487 /nfs/dbraw/zinc/32/74/87/349327487.db2.gz RMGLZZODALMWLT-UHFFFAOYSA-N 0 1 282.347 2.685 20 30 CFEDMN CCc1cnccc1[C@@H](C)NCc1ccc(C#N)cn1 ZINC000593976257 349343452 /nfs/dbraw/zinc/34/34/52/349343452.db2.gz HKZKSTKKNIHCPJ-GFCCVEGCSA-N 0 1 266.348 2.761 20 30 CFEDMN Cc1cccc2nc(CNC(=O)CCCCC#N)[nH]c21 ZINC000593999510 349349698 /nfs/dbraw/zinc/34/96/98/349349698.db2.gz YTQXZFRUZGABAF-UHFFFAOYSA-N 0 1 270.336 2.572 20 30 CFEDMN CC[C@@H](CC#N)NCC[C@H](C(=O)OC)c1ccccc1 ZINC000594007775 349352177 /nfs/dbraw/zinc/35/21/77/349352177.db2.gz AJNDVLZJCJFBFB-GJZGRUSLSA-N 0 1 274.364 2.615 20 30 CFEDMN N#Cc1ccc(CN2CCC3(CC3(F)F)CC2)nc1 ZINC000594014350 349353473 /nfs/dbraw/zinc/35/34/73/349353473.db2.gz AXLXXLIKKLGJSU-UHFFFAOYSA-N 0 1 263.291 2.574 20 30 CFEDMN CC[C@@H](NCC(=O)N(CC)CCC#N)c1ccccc1F ZINC000594019826 349354619 /nfs/dbraw/zinc/35/46/19/349354619.db2.gz VNUHQSWJNFSGAK-OAHLLOKOSA-N 0 1 291.370 2.629 20 30 CFEDMN CC(=O)Nc1ccc(CNCC2(C#N)CCCC2)cc1 ZINC000593649856 349303920 /nfs/dbraw/zinc/30/39/20/349303920.db2.gz LEMNZLGATARDNQ-UHFFFAOYSA-N 0 1 271.364 2.819 20 30 CFEDMN N#Cc1ccc(CN2CCC3(CC3(F)F)CC2)o1 ZINC000593674181 349307644 /nfs/dbraw/zinc/30/76/44/349307644.db2.gz UIBCNTSIZWTHDZ-UHFFFAOYSA-N 0 1 252.264 2.772 20 30 CFEDMN N#Cc1ccc2c(c1)CN(CCC1CCOCC1)C2 ZINC000594028655 349356275 /nfs/dbraw/zinc/35/62/75/349356275.db2.gz SCKLCYXIVWFTCT-UHFFFAOYSA-N 0 1 256.349 2.691 20 30 CFEDMN CN(C)[C@@H](CNC(=O)CCCCC#N)c1ccsc1 ZINC000594226380 349396592 /nfs/dbraw/zinc/39/65/92/349396592.db2.gz FZXWHQUCYYAPEH-ZDUSSCGKSA-N 0 1 279.409 2.551 20 30 CFEDMN CCOC(=O)CCN(Cc1ccccc1C#N)C(C)C ZINC000594049302 349363320 /nfs/dbraw/zinc/36/33/20/349363320.db2.gz RTICQZDNXWAISS-UHFFFAOYSA-N 0 1 274.364 2.722 20 30 CFEDMN Cc1ncncc1[C@H](C)N[C@H]1CCc2cc(C#N)ccc21 ZINC000594500341 349432369 /nfs/dbraw/zinc/43/23/69/349432369.db2.gz OXABDEKENIQTDP-SJCJKPOMSA-N 0 1 278.359 2.995 20 30 CFEDMN C[C@H](CC#N)C(=O)Nc1ccc2nc([C@@H]3CCCO3)[nH]c2c1 ZINC000596966778 350009676 /nfs/dbraw/zinc/00/96/76/350009676.db2.gz BYZRZYJNLXDJND-YGRLFVJLSA-N 0 1 298.346 2.903 20 30 CFEDMN C[C@@H]1CO[C@@H](C)CN1Cc1ccc(C2(C#N)CC2)cc1 ZINC000596983534 350012263 /nfs/dbraw/zinc/01/22/63/350012263.db2.gz AUJHULHOMVTVFZ-KGLIPLIRSA-N 0 1 270.376 2.851 20 30 CFEDMN CC[C@H]1COCCN1Cc1ccc(C2(C#N)CC2)cc1 ZINC000596991939 350012620 /nfs/dbraw/zinc/01/26/20/350012620.db2.gz OYOIKJDUIVZCMV-INIZCTEOSA-N 0 1 270.376 2.853 20 30 CFEDMN CO[C@@H](C)C[N@@H+](C)Cc1ccc(C2(C#N)CC2)cc1 ZINC000597126260 350033376 /nfs/dbraw/zinc/03/33/76/350033376.db2.gz IPKOQSGIVNTWIT-ZDUSSCGKSA-N 0 1 258.365 2.708 20 30 CFEDMN COCC1(C)CN(Cc2ccc(C3(C#N)CC3)cc2)C1 ZINC000597147584 350038755 /nfs/dbraw/zinc/03/87/55/350038755.db2.gz ZLRFXQNEEDXSFY-UHFFFAOYSA-N 0 1 270.376 2.710 20 30 CFEDMN COc1ccc(CN2CCC[C@@H](CC#N)C2)cc1O ZINC000597175125 350044050 /nfs/dbraw/zinc/04/40/50/350044050.db2.gz WYHBCBPRRPEAFK-LBPRGKRZSA-N 0 1 260.337 2.526 20 30 CFEDMN COCCOc1ccccc1CN1CCC[C@H](CC#N)C1 ZINC000597177601 350045761 /nfs/dbraw/zinc/04/57/61/350045761.db2.gz QDDPYQRICFHLRJ-OAHLLOKOSA-N 0 1 288.391 2.837 20 30 CFEDMN CC(C)c1nc(CN2CC(CC#N)C2)c2ccccn21 ZINC000597204478 350054948 /nfs/dbraw/zinc/05/49/48/350054948.db2.gz XBFZRUHWCSAYHC-UHFFFAOYSA-N 0 1 268.364 2.803 20 30 CFEDMN Cc1cc(CN2CC(CC#N)C2)cc2cccnc12 ZINC000597204238 350055460 /nfs/dbraw/zinc/05/54/60/350055460.db2.gz VHENUZSUNPACNK-UHFFFAOYSA-N 0 1 251.333 2.889 20 30 CFEDMN N#CC1(CNC(=O)Cc2[nH]nc3ccccc32)CCCCC1 ZINC000598306840 350231451 /nfs/dbraw/zinc/23/14/51/350231451.db2.gz CBKJAIAAPXWXGX-UHFFFAOYSA-N 0 1 296.374 2.696 20 30 CFEDMN CCOc1cncc(CNCc2cccc(C#N)c2)c1 ZINC000598638237 350298848 /nfs/dbraw/zinc/29/88/48/350298848.db2.gz CRIBULRWQVJVNR-UHFFFAOYSA-N 0 1 267.332 2.642 20 30 CFEDMN COc1nc(C)cc(C)c1CN(C)[C@H]1CC[C@@H](C#N)C1 ZINC000598648751 350302076 /nfs/dbraw/zinc/30/20/76/350302076.db2.gz KMKQBZFCUYOWOS-KGLIPLIRSA-N 0 1 273.380 2.831 20 30 CFEDMN CC(C)(C#N)C[C@@H](O)CN1CC(C)(c2ccccc2)C1 ZINC000598705553 350314407 /nfs/dbraw/zinc/31/44/07/350314407.db2.gz KSNSLGMQOQKITO-OAHLLOKOSA-N 0 1 272.392 2.561 20 30 CFEDMN CC(C)c1csc(CNC[C@@H](O)CC(C)(C)C#N)n1 ZINC000598725906 350319641 /nfs/dbraw/zinc/31/96/41/350319641.db2.gz QKLQVUMZJSHZJQ-NSHDSACASA-N 0 1 281.425 2.657 20 30 CFEDMN Cc1cnc(C(C)(C)NC[C@H](O)CC(C)(C)C#N)s1 ZINC000598612993 350293538 /nfs/dbraw/zinc/29/35/38/350293538.db2.gz UKXMBMAYIUGQCR-LLVKDONJSA-N 0 1 281.425 2.577 20 30 CFEDMN C[C@H](CC#N)C(=O)Nc1nc2cc(Cl)c(F)cc2[nH]1 ZINC000598893602 350345736 /nfs/dbraw/zinc/34/57/36/350345736.db2.gz XKBGAUSRKLPMLU-ZCFIWIBFSA-N 0 1 280.690 2.844 20 30 CFEDMN Cc1ccc(C#N)cc1NC(=O)[C@H]1C[C@@H](C)Cc2cn[nH]c21 ZINC000598932646 350347250 /nfs/dbraw/zinc/34/72/50/350347250.db2.gz OVUJEUOFBKBMIH-HZMBPMFUSA-N 0 1 294.358 2.894 20 30 CFEDMN CN(C)c1c(F)c(F)ccc1CNCC1(CC#N)CC1 ZINC000598976526 350352800 /nfs/dbraw/zinc/35/28/00/350352800.db2.gz WRXMZKKFDRLJEN-UHFFFAOYSA-N 0 1 279.334 2.814 20 30 CFEDMN N#CCCCC(=O)Nc1nc2cc(Cl)c(F)cc2[nH]1 ZINC000598780274 350328479 /nfs/dbraw/zinc/32/84/79/350328479.db2.gz JUARHAXRJFLFMQ-UHFFFAOYSA-N 0 1 280.690 2.988 20 30 CFEDMN Cc1ccc(CN2CCc3cc[nH]c(=O)c3C2)cc1C#N ZINC000599388107 350429763 /nfs/dbraw/zinc/42/97/63/350429763.db2.gz AILUFVDKKWHKJN-UHFFFAOYSA-N 0 1 279.343 2.526 20 30 CFEDMN C=CCC[C@@H](O)CN1CCC[C@@]1(C)C(=O)OC(C)(C)C ZINC000599495702 350445902 /nfs/dbraw/zinc/44/59/02/350445902.db2.gz RSGALEKVRIXHAZ-CJNGLKHVSA-N 0 1 283.412 2.510 20 30 CFEDMN C[C@](C#N)(NC(=O)CN1CC(C)(C)CCC1(C)C)C1CC1 ZINC000599539210 350453167 /nfs/dbraw/zinc/45/31/67/350453167.db2.gz YOWLDBYIDRDNGB-QGZVFWFLSA-N 0 1 291.439 2.695 20 30 CFEDMN N#Cc1ccc(CN2CCCC(F)(F)CC2)nc1 ZINC000599552517 350455637 /nfs/dbraw/zinc/45/56/37/350455637.db2.gz IDNISEYVEXPZML-UHFFFAOYSA-N 0 1 251.280 2.574 20 30 CFEDMN COC(=O)[C@@H]1CCN(Cc2ccccc2C#N)[C@@H]2CCC[C@H]21 ZINC000599650498 350472978 /nfs/dbraw/zinc/47/29/78/350472978.db2.gz GOIQBNJEYZDRJH-GVDBMIGSSA-N 0 1 298.386 2.722 20 30 CFEDMN COC(=O)[C@@H]1CCN(Cc2ccccc2C#N)[C@H]2CCC[C@@H]21 ZINC000599650499 350473324 /nfs/dbraw/zinc/47/33/24/350473324.db2.gz GOIQBNJEYZDRJH-ZACQAIPSSA-N 0 1 298.386 2.722 20 30 CFEDMN CC[N@@H+](Cc1ccc(C[NH+](C)C)cc1)CC1(C#N)CC1 ZINC000599659147 350475256 /nfs/dbraw/zinc/47/52/56/350475256.db2.gz DCFDLZBVBQHVKE-UHFFFAOYSA-N 0 1 271.408 2.874 20 30 CFEDMN CCC(O)(CC)CN(C)Cc1cccc(C#N)c1F ZINC000599672536 350477387 /nfs/dbraw/zinc/47/73/87/350477387.db2.gz FHUGFVYWGNAYCK-UHFFFAOYSA-N 0 1 264.344 2.680 20 30 CFEDMN C[C@@H]1C[C@H](CO)CCN1Cc1ccc(C#N)cc1Cl ZINC000599675658 350478216 /nfs/dbraw/zinc/47/82/16/350478216.db2.gz VNZUOBPMUCDZMP-DGCLKSJQSA-N 0 1 278.783 2.804 20 30 CFEDMN CCC#C[C@H](C)N1Cc2ccccc2[C@H](C(=O)OC)C1 ZINC000599676057 350478563 /nfs/dbraw/zinc/47/85/63/350478563.db2.gz HLJVIZZSWARKLT-XJKSGUPXSA-N 0 1 271.360 2.561 20 30 CFEDMN C#CCCOc1ccc(CN(CC)Cc2cnn(C)c2)cc1 ZINC000092437958 180385003 /nfs/dbraw/zinc/38/50/03/180385003.db2.gz FSODOYWVBQSODR-UHFFFAOYSA-N 0 1 297.402 2.844 20 30 CFEDMN N#CC1(C[C@@H](O)CNCc2c(F)cccc2Cl)CC1 ZINC000600719979 350600783 /nfs/dbraw/zinc/60/07/83/350600783.db2.gz XQRDMPWYJMUGNR-SNVBAGLBSA-N 0 1 282.746 2.623 20 30 CFEDMN CC(C)(C)c1csc(CNC[C@@H](O)CC2(C#N)CC2)n1 ZINC000600722399 350601761 /nfs/dbraw/zinc/60/17/61/350601761.db2.gz PNCIDYVQSUECFE-NSHDSACASA-N 0 1 293.436 2.585 20 30 CFEDMN COc1ccc(-c2ccc([C@@H]3COCCN3)cc2)c(C#N)c1 ZINC000600790384 350612707 /nfs/dbraw/zinc/61/27/07/350612707.db2.gz KKMGQCWZVATFLC-SFHVURJKSA-N 0 1 294.354 2.895 20 30 CFEDMN CC(C)(C)c1nc[nH]c1C(=O)Nc1ccc(F)c(C#N)c1 ZINC000601036741 350648575 /nfs/dbraw/zinc/64/85/75/350648575.db2.gz ZZSQTLBAFSBOJP-UHFFFAOYSA-N 0 1 286.310 2.970 20 30 CFEDMN COc1cc(F)cc(OC)c1CN[C@@H]1CC[C@H](C#N)C1 ZINC000601129286 350676760 /nfs/dbraw/zinc/67/67/60/350676760.db2.gz PNJDLVWOJAIGJO-CMPLNLGQSA-N 0 1 278.327 2.625 20 30 CFEDMN N#Cc1cnc(N[C@H]2CCCc3cn[nH]c32)c2sccc21 ZINC000601130520 350677622 /nfs/dbraw/zinc/67/76/22/350677622.db2.gz MBFCAWFAAHXCFK-LBPRGKRZSA-N 0 1 295.371 2.802 20 30 CFEDMN N#Cc1csc(CNCC2([C@@H]3CCCCO3)CCC2)n1 ZINC000601156128 350684277 /nfs/dbraw/zinc/68/42/77/350684277.db2.gz RRWBALFPXNBQMX-ZDUSSCGKSA-N 0 1 291.420 2.844 20 30 CFEDMN Cc1[nH]ncc1CN(C)c1nc(C(C)(C)C)ccc1C#N ZINC000601182327 350690813 /nfs/dbraw/zinc/69/08/13/350690813.db2.gz UQIOGFUFKRGRQB-UHFFFAOYSA-N 0 1 283.379 2.919 20 30 CFEDMN C[C@H](N[C@@H](C)[C@H](O)C(F)(F)F)c1ccc(C#N)cc1 ZINC000601301286 350719863 /nfs/dbraw/zinc/71/98/63/350719863.db2.gz XGETVHKGACDDKE-AUTRQRHGSA-N 0 1 272.270 2.521 20 30 CFEDMN N#CC1(c2nc(-c3ccn4cncc4c3)no2)CC2(CC2)C1 ZINC000601377017 350728533 /nfs/dbraw/zinc/72/85/33/350728533.db2.gz YXFNNWZVNUXPSI-UHFFFAOYSA-N 0 1 291.314 2.720 20 30 CFEDMN N#CC(C(=O)[C@@H]1CCCC12CC2)c1nnc2n1CCCCC2 ZINC000528926869 383678597 /nfs/dbraw/zinc/67/85/97/383678597.db2.gz GSUYYODWMUIZCX-OLZOCXBDSA-N 0 1 298.390 2.761 20 30 CFEDMN Cc1[nH]n([C@H]2CCc3c2cccc3F)c(=O)c1CCC#N ZINC000601948986 350815936 /nfs/dbraw/zinc/81/59/36/350815936.db2.gz IEKPVWJZKAIOGK-NHYWBVRUSA-N 0 1 285.322 2.951 20 30 CFEDMN CCc1[nH]n(-c2ccc(C#N)c(Cl)c2)c(=O)c1C ZINC000601950051 350816947 /nfs/dbraw/zinc/81/69/47/350816947.db2.gz SXDWTUDPXXVYTO-QMMMGPOBSA-N 0 1 261.712 2.960 20 30 CFEDMN CCCCCc1cc(C(=O)N(C)[C@@H]2CCC[C@@H]2C#N)n[nH]1 ZINC000601809856 350781304 /nfs/dbraw/zinc/78/13/04/350781304.db2.gz ZWCLQROLYZWNQP-IUODEOHRSA-N 0 1 288.395 2.907 20 30 CFEDMN CN(C(=O)c1ccc(O)c(Cl)c1)[C@H]1CCC[C@@H]1C#N ZINC000601824186 350787063 /nfs/dbraw/zinc/78/70/63/350787063.db2.gz UKUSIKXGCMSYMC-PWSUYJOCSA-N 0 1 278.739 2.810 20 30 CFEDMN CCc1ccc(-n2[nH]c(C)c(CCC#N)c2=O)cc1 ZINC000601933179 350806022 /nfs/dbraw/zinc/80/60/22/350806022.db2.gz CJDGWEHQSKCMPU-AWEZNQCLSA-N 0 1 255.321 2.891 20 30 CFEDMN CCc1c(C(C)C)[nH]n(-c2ccc(C#N)cc2)c1=O ZINC000601931667 350806277 /nfs/dbraw/zinc/80/62/77/350806277.db2.gz NYVGVWIXWLJZCJ-ZDUSSCGKSA-N 0 1 255.321 2.943 20 30 CFEDMN CCc1c(C(C)C)[nH]n(-c2cccc(C#N)c2)c1=O ZINC000601933514 350806630 /nfs/dbraw/zinc/80/66/30/350806630.db2.gz ZYCSWRBJBQTDJS-ZDUSSCGKSA-N 0 1 255.321 2.943 20 30 CFEDMN C[C@H](CC#N)n1[nH]c(CCc2ccccc2)cc1=O ZINC000601935996 350808763 /nfs/dbraw/zinc/80/87/63/350808763.db2.gz NNRPRRUIGVIOGS-GFCCVEGCSA-N 0 1 255.321 2.510 20 30 CFEDMN Cc1[nH]n(-c2cccc([N+](=O)[O-])c2C)c(=O)c1CCC#N ZINC000601939519 350810177 /nfs/dbraw/zinc/81/01/77/350810177.db2.gz LNAFRDKGABXWIG-LLVKDONJSA-N 0 1 286.291 2.546 20 30 CFEDMN C[C@@H]1CCc2[nH]n(Cc3cccc(C#N)c3)c(=O)c2C1 ZINC000601944563 350812489 /nfs/dbraw/zinc/81/24/89/350812489.db2.gz LNPMEFWBIXTWJC-BXUZGUMPSA-N 0 1 267.332 2.693 20 30 CFEDMN C[C@]1(CNCc2cccc(F)c2C#N)CCCC[C@@H]1O ZINC000602011661 350830368 /nfs/dbraw/zinc/83/03/68/350830368.db2.gz JGZMPEKVPVKGSE-JKSUJKDBSA-N 0 1 276.355 2.728 20 30 CFEDMN CC(C)c1nc([C@H](C)NCc2cccc(F)c2C#N)n[nH]1 ZINC000602016091 350832177 /nfs/dbraw/zinc/83/21/77/350832177.db2.gz UJVMWUSROMQTQG-JTQLQIEISA-N 0 1 287.342 2.790 20 30 CFEDMN C[C@@H]1SCC[C@H]1NCc1cccc(F)c1C#N ZINC000602019836 350834015 /nfs/dbraw/zinc/83/40/15/350834015.db2.gz JPAXUEHVBCGJPO-TVQRCGJNSA-N 0 1 250.342 2.681 20 30 CFEDMN C[C@@H]([C@@H]1Cc2ccccc2O1)N(C)Cc1cccc(C#N)n1 ZINC000602486808 350902860 /nfs/dbraw/zinc/90/28/60/350902860.db2.gz PUEQOMSVTBDJFD-UGSOOPFHSA-N 0 1 293.370 2.777 20 30 CFEDMN C[C@H](NCc1cc2c(cn1)OCCO2)c1ccc(C#N)cc1 ZINC000602512391 350910359 /nfs/dbraw/zinc/91/03/59/350910359.db2.gz YDIPVPXBEMUPRH-LBPRGKRZSA-N 0 1 295.342 2.575 20 30 CFEDMN C[C@H]1CCCC[C@@H]1OCCNCc1cccc(C#N)n1 ZINC000602514814 350911511 /nfs/dbraw/zinc/91/15/11/350911511.db2.gz MGIXXGIFERDVCJ-BBRMVZONSA-N 0 1 273.380 2.638 20 30 CFEDMN N#CCC1CCN(Cc2ccnn2CC2CCC2)CC1 ZINC000602597461 350940723 /nfs/dbraw/zinc/94/07/23/350940723.db2.gz QSZMQEDINAECFB-UHFFFAOYSA-N 0 1 272.396 2.809 20 30 CFEDMN C[C@@H](NCc1cccc(C#N)n1)c1ccc([S@](C)=O)cc1 ZINC000602578473 350932022 /nfs/dbraw/zinc/93/20/22/350932022.db2.gz VITKRHGFCZMHND-GTJPDFRWSA-N 0 1 299.399 2.541 20 30 CFEDMN Cc1cnn(-c2ccncc2NC[C@@H](C)CCC#N)c1 ZINC000602581019 350933473 /nfs/dbraw/zinc/93/34/73/350933473.db2.gz STFNBWSUNWSEDN-LBPRGKRZSA-N 0 1 269.352 2.928 20 30 CFEDMN COC(=O)c1cnc([C@@H](C)NC2CCC(C#N)CC2)s1 ZINC000602694923 350982840 /nfs/dbraw/zinc/98/28/40/350982840.db2.gz PZVJITLBIJZIBZ-KPPDAEKUSA-N 0 1 293.392 2.663 20 30 CFEDMN CN(CCc1ccc(C#N)cc1)Cc1ccns1 ZINC000602715805 350996769 /nfs/dbraw/zinc/99/67/69/350996769.db2.gz CMXHUIRHXOLNGC-UHFFFAOYSA-N 0 1 257.362 2.689 20 30 CFEDMN N#CCC1(CN2CCN(CCc3cccs3)CC2)CC1 ZINC000602762254 351015709 /nfs/dbraw/zinc/01/57/09/351015709.db2.gz DGNMWMMNWDPYLE-UHFFFAOYSA-N 0 1 289.448 2.602 20 30 CFEDMN N#Cc1cc(CN2CCC[C@@H](c3cccnc3)C2)ccn1 ZINC000602852175 351045134 /nfs/dbraw/zinc/04/51/34/351045134.db2.gz DIEFQSANFDTKCZ-MRXNPFEDSA-N 0 1 278.359 2.728 20 30 CFEDMN C[C@@H](CC#N)NCc1nc2ccc(Br)cc2[nH]1 ZINC000602871755 351053717 /nfs/dbraw/zinc/05/37/17/351053717.db2.gz VZWFVAWOKWDJNT-QMMMGPOBSA-N 0 1 293.168 2.717 20 30 CFEDMN N#CCCN1CCC(c2cc(-c3ccncc3)[nH]n2)CC1 ZINC000602878049 351055982 /nfs/dbraw/zinc/05/59/82/351055982.db2.gz PGEJKAZZQXJFLJ-UHFFFAOYSA-N 0 1 281.363 2.565 20 30 CFEDMN N#Cc1ccc(C2CCN(Cc3ccccn3)CC2)nc1 ZINC000602910997 351063103 /nfs/dbraw/zinc/06/31/03/351063103.db2.gz UQMOAEWXWXSKKF-UHFFFAOYSA-N 0 1 278.359 2.728 20 30 CFEDMN COC(=O)c1oc(CN[C@@H]2CCC[C@H](C#N)C2)cc1C ZINC000602744847 351011923 /nfs/dbraw/zinc/01/19/23/351011923.db2.gz UBLQHQRJMWHIQA-NWDGAFQWSA-N 0 1 276.336 2.547 20 30 CFEDMN N#CCC1(C[N@@H+]2CCCN(C(=O)c3ccccc3)CC2)CC1 ZINC000602757545 351014432 /nfs/dbraw/zinc/01/44/32/351014432.db2.gz AHWJDPRMZZUGHI-UHFFFAOYSA-N 0 1 297.402 2.528 20 30 CFEDMN N#CCC1(CN2CCCN(C(=O)c3ccccc3)CC2)CC1 ZINC000602757545 351014437 /nfs/dbraw/zinc/01/44/37/351014437.db2.gz AHWJDPRMZZUGHI-UHFFFAOYSA-N 0 1 297.402 2.528 20 30 CFEDMN CN1CCN(C(=O)CCCCCC#N)C[C@H]1C(C)(C)C ZINC000603145659 351110437 /nfs/dbraw/zinc/11/04/37/351110437.db2.gz OZJLUWCQZFIYOW-AWEZNQCLSA-N 0 1 279.428 2.649 20 30 CFEDMN Cc1ccccc1NC(=O)CCN(C)[C@@H]1CCC[C@H]1C#N ZINC000602979427 351079788 /nfs/dbraw/zinc/07/97/88/351079788.db2.gz DDXUVZGZJPXFNL-GOEBONIOSA-N 0 1 285.391 2.948 20 30 CFEDMN CC[C@@]1(O)CCCN(Cc2ccc(C#N)cc2Cl)C1 ZINC000602983574 351084525 /nfs/dbraw/zinc/08/45/25/351084525.db2.gz NGRZAQBJFAEKIG-OAHLLOKOSA-N 0 1 278.783 2.949 20 30 CFEDMN C[C@@H](CCC#N)N1CCN(c2cccc(F)c2)CC1 ZINC000603015150 351091101 /nfs/dbraw/zinc/09/11/01/351091101.db2.gz OSQKKSUMMBEXCU-ZDUSSCGKSA-N 0 1 261.344 2.640 20 30 CFEDMN CCc1n[nH]c(S[C@H](C#N)Cc2ccccc2)n1 ZINC000603453296 351165434 /nfs/dbraw/zinc/16/54/34/351165434.db2.gz LQVAPJLOODVZHN-NSHDSACASA-N 0 1 258.350 2.594 20 30 CFEDMN CCc1nc(S[C@H](C#N)Cc2ccccc2)n[nH]1 ZINC000603453296 351165435 /nfs/dbraw/zinc/16/54/35/351165435.db2.gz LQVAPJLOODVZHN-NSHDSACASA-N 0 1 258.350 2.594 20 30 CFEDMN C=CCCCCCN(C)C(=O)[C@H]1CCCCN1C ZINC000606881627 351298038 /nfs/dbraw/zinc/29/80/38/351298038.db2.gz WLNYGDCDVYZVKE-CQSZACIVSA-N 0 1 252.402 2.676 20 30 CFEDMN CC#CCN[C@@](C)(CO)c1cccc(C(F)(F)F)c1 ZINC000607734980 351358481 /nfs/dbraw/zinc/35/84/81/351358481.db2.gz BEILYGWEGLTEBT-ZDUSSCGKSA-N 0 1 271.282 2.526 20 30 CFEDMN CC(C)(C)CN(CCO)Cc1cn2ccccc2c1C#N ZINC000609317231 351495787 /nfs/dbraw/zinc/49/57/87/351495787.db2.gz PEAQVOGJDGOMNH-UHFFFAOYSA-N 0 1 285.391 2.651 20 30 CFEDMN Cc1ccc(C)c(CN2CCN([C@@H](C#N)C(C)C)CC2)c1 ZINC000609487109 351503737 /nfs/dbraw/zinc/50/37/37/351503737.db2.gz WUFBPYQGYRWOSI-SFHVURJKSA-N 0 1 285.435 2.969 20 30 CFEDMN CCN(CC)Cc1ccc(C(=O)N(CCC#N)C(C)C)o1 ZINC000608814744 351475008 /nfs/dbraw/zinc/47/50/08/351475008.db2.gz QPMCSKPKQMTNAB-UHFFFAOYSA-N 0 1 291.395 2.886 20 30 CFEDMN CCN(CC)Cc1ccc(C(=O)NCCCCC#N)o1 ZINC000609141690 351487959 /nfs/dbraw/zinc/48/79/59/351487959.db2.gz DJXCDSOEEBCFCN-UHFFFAOYSA-N 0 1 277.368 2.545 20 30 CFEDMN CCN1CCN(c2c(C#N)cnc3c(C)cccc32)CC1 ZINC000610210904 351540299 /nfs/dbraw/zinc/54/02/99/351540299.db2.gz JUIYVHUEGKKJRB-UHFFFAOYSA-N 0 1 280.375 2.557 20 30 CFEDMN Cc1n[nH]c(C(F)(F)F)c1C(=O)Nc1cccc(C#N)c1 ZINC000610435786 351566967 /nfs/dbraw/zinc/56/69/67/351566967.db2.gz VISMXGXYCNNDMK-UHFFFAOYSA-N 0 1 294.236 2.861 20 30 CFEDMN C[S@](=O)c1ccc(CNCc2ccc(C#N)s2)cc1 ZINC000610574995 351582452 /nfs/dbraw/zinc/58/24/52/351582452.db2.gz WIPDYXSLHWQSDY-IBGZPJMESA-N 0 1 290.413 2.647 20 30 CFEDMN CCC(C)(C)NC(=O)[C@H](C)N[C@H](C)c1cccc(C#N)c1 ZINC000610343203 351555900 /nfs/dbraw/zinc/55/59/00/351555900.db2.gz BAIXDTREPICGNZ-OLZOCXBDSA-N 0 1 287.407 2.902 20 30 CFEDMN C[C@@H](N[C@@H](C)C(=O)N1CCCCCC1)c1cccc(C#N)c1 ZINC000610346284 351556912 /nfs/dbraw/zinc/55/69/12/351556912.db2.gz RZMRKNGHXRXIAO-CABCVRRESA-N 0 1 299.418 3.000 20 30 CFEDMN C=CCN(CC=C)C(=O)[C@H](C)N[C@@H](C)c1cccc(C#N)c1 ZINC000610343857 351557010 /nfs/dbraw/zinc/55/70/10/351557010.db2.gz VBXRVULCMIDBHT-GJZGRUSLSA-N 0 1 297.402 2.798 20 30 CFEDMN CC(C)NC(=O)C(C#N)c1nc2cc(F)ccc2s1 ZINC000611249162 351657131 /nfs/dbraw/zinc/65/71/31/351657131.db2.gz VQPOYCXHUKNLRS-SECBINFHSA-N 0 1 277.324 2.567 20 30 CFEDMN COC(=O)CCN(Cc1ccc(C#N)o1)Cc1ccccc1 ZINC000611255372 351658754 /nfs/dbraw/zinc/65/87/54/351658754.db2.gz ROTNWYUGUNKXPV-UHFFFAOYSA-N 0 1 298.342 2.717 20 30 CFEDMN C[C@@H](NCc1cc(C(N)=O)cs1)c1cccc(C#N)c1 ZINC000610889972 351619004 /nfs/dbraw/zinc/61/90/04/351619004.db2.gz ZKKWOGBYULQXBM-SNVBAGLBSA-N 0 1 285.372 2.569 20 30 CFEDMN COC(=O)C[C@H]1CCCCN1CC#Cc1ccc(F)cc1 ZINC000610953317 351624480 /nfs/dbraw/zinc/62/44/80/351624480.db2.gz MXVQOYZBWHCQIP-MRXNPFEDSA-N 0 1 289.350 2.595 20 30 CFEDMN CCN(Cc1ccc2c(c1)OCO2)Cc1ccnc(C#N)c1 ZINC000610992016 351629508 /nfs/dbraw/zinc/62/95/08/351629508.db2.gz PGPSPDCIGAHDMF-UHFFFAOYSA-N 0 1 295.342 2.704 20 30 CFEDMN Cc1cccc(OCCN(C)Cc2ccnc(C#N)c2)c1 ZINC000610991609 351630226 /nfs/dbraw/zinc/63/02/26/351630226.db2.gz SZCAKNHUTATJIT-UHFFFAOYSA-N 0 1 281.359 2.773 20 30 CFEDMN CC(C)[C@H]1CN(Cc2ccnc(C#N)c2)CCS1 ZINC000610993977 351631618 /nfs/dbraw/zinc/63/16/18/351631618.db2.gz PKXYQNCNYJMPAF-CQSZACIVSA-N 0 1 261.394 2.527 20 30 CFEDMN C[C@@H](NCc1ccnc(C#N)c1)c1cccc([N+](=O)[O-])c1 ZINC000611383177 351678106 /nfs/dbraw/zinc/67/81/06/351678106.db2.gz GBNRIAZCJLLYMZ-LLVKDONJSA-N 0 1 282.303 2.712 20 30 CFEDMN C[C@@H](NCC(=O)N1[C@H](C)CCC[C@@H]1C)c1cccc(C#N)c1 ZINC000611388579 351679097 /nfs/dbraw/zinc/67/90/97/351679097.db2.gz KDAHIRXZWWKNED-QLFBSQMISA-N 0 1 299.418 2.998 20 30 CFEDMN C#CCOc1ccc(CNCc2occc2C)cc1 ZINC000291744091 198078262 /nfs/dbraw/zinc/07/82/62/198078262.db2.gz PIOCMSHLVMQTNM-UHFFFAOYSA-N 0 1 255.317 2.890 20 30 CFEDMN CC(C)n1cc([C@H](C)NCc2ccnc(C#N)c2)cn1 ZINC000612517496 351830240 /nfs/dbraw/zinc/83/02/40/351830240.db2.gz ZXGFSZCNGFKONT-LBPRGKRZSA-N 0 1 269.352 2.581 20 30 CFEDMN Cc1nn(-c2ccncc2)cc1CN1CCC[C@@](C)(C#N)C1 ZINC000612406071 351816675 /nfs/dbraw/zinc/81/66/75/351816675.db2.gz HSCSGQUDXVNAMT-KRWDZBQOSA-N 0 1 295.390 2.701 20 30 CFEDMN N#Cc1ccc(OCCN(Cc2ccncc2)C2CC2)cc1 ZINC000122417383 187031115 /nfs/dbraw/zinc/03/11/15/187031115.db2.gz YWPDPJDGOXQQGB-UHFFFAOYSA-N 0 1 293.370 2.997 20 30 CFEDMN C[C@H](NC(=O)c1cnccc1N(C)C)c1cccc(C#N)c1 ZINC000612745481 351858379 /nfs/dbraw/zinc/85/83/79/351858379.db2.gz LWQSSQOOXSOJRQ-LBPRGKRZSA-N 0 1 294.358 2.510 20 30 CFEDMN CN(Cc1cccc(C#N)c1)C(=O)c1ccc(F)cc1O ZINC000123370945 187087802 /nfs/dbraw/zinc/08/78/02/187087802.db2.gz JKIOWRCWOWHWKK-UHFFFAOYSA-N 0 1 284.290 2.675 20 30 CFEDMN N#C[C@@H]1CCC[C@H](Nc2cnn(-c3ccncc3)c2)C1 ZINC000613255841 351925663 /nfs/dbraw/zinc/92/56/63/351925663.db2.gz OKMSLMXOHLCRDB-OLZOCXBDSA-N 0 1 267.336 2.762 20 30 CFEDMN N#Cc1cnccc1NCc1nc2ccc(Cl)cc2[nH]1 ZINC000614133186 352048842 /nfs/dbraw/zinc/04/88/42/352048842.db2.gz GTIWNEVKXLEZEC-UHFFFAOYSA-N 0 1 283.722 2.517 20 30 CFEDMN CC(C)(C#N)c1ccc(CN2CCc3cn[nH]c3C2)cc1 ZINC000614176271 352057184 /nfs/dbraw/zinc/05/71/84/352057184.db2.gz QTDCOZBRBVKLKQ-UHFFFAOYSA-N 0 1 280.375 2.769 20 30 CFEDMN C=CCCc1ccccc1NC(=O)[C@H]1CCCc2n[nH]nc21 ZINC000614479433 352098386 /nfs/dbraw/zinc/09/83/86/352098386.db2.gz JLCLSWRIDKZTSV-ZDUSSCGKSA-N 0 1 296.374 2.982 20 30 CFEDMN C=C(C)[C@H](CC(=O)Nc1n[nH]c2cc(O)ccc21)OCC ZINC000615137390 352159096 /nfs/dbraw/zinc/15/90/96/352159096.db2.gz HRBLIHRRBSULAX-ZDUSSCGKSA-N 0 1 289.335 2.578 20 30 CFEDMN C=CCN(C(=O)c1cnc(-c2ccccc2)[nH]1)C1CC1 ZINC000271471838 191157658 /nfs/dbraw/zinc/15/76/58/191157658.db2.gz YYNXMEXHUGMCGB-UHFFFAOYSA-N 0 1 267.332 2.867 20 30 CFEDMN C=C[C@@](C)(CC)C(=O)NCc1ccc2nc[nH]c2c1 ZINC000615792061 352242547 /nfs/dbraw/zinc/24/25/47/352242547.db2.gz LDJNTLUIGMFQJG-HNNXBMFYSA-N 0 1 257.337 2.781 20 30 CFEDMN C=CC[C@H]1CCCC[C@@H]1NC(=O)c1[nH]nc(C)c1C ZINC000617040359 352475749 /nfs/dbraw/zinc/47/57/49/352475749.db2.gz SSYDMHJPTMWSBZ-STQMWFEESA-N 0 1 261.369 2.891 20 30 CFEDMN C=CCCNC(=O)[C@@H]1C[N@H+](C(C)(C)C)C[C@H]1C(F)(F)F ZINC000617618090 352605563 /nfs/dbraw/zinc/60/55/63/352605563.db2.gz BMQHMQATHJOWFU-GHMZBOCLSA-N 0 1 292.345 2.588 20 30 CFEDMN C=CCCC1(CNC(=O)C2(N(C)C)CC2)CCCC1 ZINC000617418934 352562159 /nfs/dbraw/zinc/56/21/59/352562159.db2.gz OOYSFLIDQAOWLX-UHFFFAOYSA-N 0 1 264.413 2.723 20 30 CFEDMN C=CC[C@@H]1CCCN(C(=O)[C@@H]2CCCc3[nH]ncc32)C1 ZINC000617782609 352644863 /nfs/dbraw/zinc/64/48/63/352644863.db2.gz IZNKDFLDYHBCOH-CHWSQXEVSA-N 0 1 273.380 2.644 20 30 CFEDMN C=CC[C@H]1CCCN(C(=O)c2ccc(F)cc2O)C1 ZINC000617781967 352645037 /nfs/dbraw/zinc/64/50/37/352645037.db2.gz WGAIRNBJNRKQCZ-NSHDSACASA-N 0 1 263.312 2.960 20 30 CFEDMN CCN1CCCC[C@H]1C(=O)N[C@@H]1CCc2cc(C#N)ccc21 ZINC000618893272 352906897 /nfs/dbraw/zinc/90/68/97/352906897.db2.gz FSGYAAJEKJKHPJ-SJORKVTESA-N 0 1 297.402 2.536 20 30 CFEDMN C[C@@H](N[C@H]1CCc2cc(C#N)ccc21)c1cnn(C)c1 ZINC000618805597 352884176 /nfs/dbraw/zinc/88/41/76/352884176.db2.gz OSDAWXLGUQRMJN-BZNIZROVSA-N 0 1 266.348 2.630 20 30 CFEDMN C=CCC1(NC(=O)CCSc2nnc(C)[nH]2)CCCC1 ZINC000619108426 352954994 /nfs/dbraw/zinc/95/49/94/352954994.db2.gz VQCZVCRWPJKBFL-UHFFFAOYSA-N 0 1 294.424 2.600 20 30 CFEDMN N#CCc1cccc(S(=O)(=O)Nc2ccsc2)c1 ZINC000619462973 353027141 /nfs/dbraw/zinc/02/71/41/353027141.db2.gz JYCRUMOMXMHVMY-UHFFFAOYSA-N 0 1 278.358 2.615 20 30 CFEDMN N#Cc1ccc(CNCc2ccncc2)cc1Cl ZINC000619748225 353062713 /nfs/dbraw/zinc/06/27/13/353062713.db2.gz BTFNLSJJJSBPOE-UHFFFAOYSA-N 0 1 257.724 2.896 20 30 CFEDMN C[C@@H](NCC(=O)Nc1sccc1C#N)c1ccsc1 ZINC000619782507 353066305 /nfs/dbraw/zinc/06/63/05/353066305.db2.gz AOGAEVXQBTUZII-SECBINFHSA-N 0 1 291.401 2.971 20 30 CFEDMN CC(C)[C@](C)(C#N)NC(=O)[C@H](C)N[C@@H](C)c1ccsc1 ZINC000619782863 353066662 /nfs/dbraw/zinc/06/66/62/353066662.db2.gz MELCCAHWLNASHA-HUBLWGQQSA-N 0 1 293.436 2.842 20 30 CFEDMN C[C@H](NCC(=O)Nc1ccc(C#N)cc1)c1ccsc1 ZINC000619783422 353066817 /nfs/dbraw/zinc/06/68/17/353066817.db2.gz RNKRRAZNGRAENH-NSHDSACASA-N 0 1 285.372 2.909 20 30 CFEDMN N#CC1(CCCSc2nc(C3CC3)n[nH]2)CCOCC1 ZINC000619585281 353038042 /nfs/dbraw/zinc/03/80/42/353038042.db2.gz UAJPNIHTSVPRGX-UHFFFAOYSA-N 0 1 292.408 2.875 20 30 CFEDMN N#CC1(CCCSc2n[nH]c(C3CC3)n2)CCOCC1 ZINC000619585281 353038045 /nfs/dbraw/zinc/03/80/45/353038045.db2.gz UAJPNIHTSVPRGX-UHFFFAOYSA-N 0 1 292.408 2.875 20 30 CFEDMN C=C1C[C@H]2CC[C@@H](C1)N2C(=O)c1cc(CCC)[nH]n1 ZINC000620314024 353150361 /nfs/dbraw/zinc/15/03/61/353150361.db2.gz PFBVRYMYPBEJBL-BETUJISGSA-N 0 1 259.353 2.685 20 30 CFEDMN CCOC[C@H]1CCCN(CC#Cc2ccc(F)cc2)C1 ZINC000154789712 188161884 /nfs/dbraw/zinc/16/18/84/188161884.db2.gz WRZDIODRHCJYIJ-INIZCTEOSA-N 0 1 275.367 2.926 20 30 CFEDMN C=C(C)CN(CC)[C@@H](C)C(=O)NCc1cccs1 ZINC000155142225 188186455 /nfs/dbraw/zinc/18/64/55/188186455.db2.gz KABXFXFSJPOLKU-LBPRGKRZSA-N 0 1 266.410 2.651 20 30 CFEDMN C=CCCC(C)(C)NC(=O)c1ccc(-c2nnc[nH]2)cc1 ZINC000620858182 353242018 /nfs/dbraw/zinc/24/20/18/353242018.db2.gz ZKGAXYMWGAPFKZ-UHFFFAOYSA-N 0 1 284.363 2.946 20 30 CFEDMN C#CCN1CCC(C(=O)N(C)CCCCCC=C)CC1 ZINC000156864137 188284710 /nfs/dbraw/zinc/28/47/10/188284710.db2.gz OJYOLRDRMKPHIK-UHFFFAOYSA-N 0 1 276.424 2.536 20 30 CFEDMN C=CCCCN(C)C(=O)[C@H]1C[C@H](C)Cc2c[nH]nc21 ZINC000623195369 353593025 /nfs/dbraw/zinc/59/30/25/353593025.db2.gz HTXUJWHQJJDKKR-YPMHNXCESA-N 0 1 261.369 2.500 20 30 CFEDMN C=CCN(C(=O)c1ccc2cncn2c1)C(C)(C)C ZINC000622945478 353565299 /nfs/dbraw/zinc/56/52/99/353565299.db2.gz FLDNTHCWJBJBTH-UHFFFAOYSA-N 0 1 257.337 2.761 20 30 CFEDMN C=C[C@@H](C)NCc1cc(C)c(Br)cn1 ZINC000623445119 353647304 /nfs/dbraw/zinc/64/73/04/353647304.db2.gz CRLRGZHLBYNSAF-SECBINFHSA-N 0 1 255.159 2.817 20 30 CFEDMN C=CCOc1c(Cl)cc(CN[C@H](C=C)CO)cc1OC ZINC000623574267 353675844 /nfs/dbraw/zinc/67/58/44/353675844.db2.gz JJTURFZBABFZEC-GFCCVEGCSA-N 0 1 297.782 2.550 20 30 CFEDMN C=CCN(CCc1ccccc1)Cc1cncc(OC)n1 ZINC000625109031 353978385 /nfs/dbraw/zinc/97/83/85/353978385.db2.gz LILXIBAPMDFLMS-UHFFFAOYSA-N 0 1 283.375 2.716 20 30 CFEDMN C=CC[C@H]1CC[N@H+](Cc2csc(-c3cnn(C)c3)n2)C1 ZINC000625699642 354088010 /nfs/dbraw/zinc/08/80/10/354088010.db2.gz BPSVYGCQQUYIDB-LBPRGKRZSA-N 0 1 288.420 2.942 20 30 CFEDMN C=CC[C@H]1CCN(Cc2csc(-c3cnn(C)c3)n2)C1 ZINC000625699642 354088014 /nfs/dbraw/zinc/08/80/14/354088014.db2.gz BPSVYGCQQUYIDB-LBPRGKRZSA-N 0 1 288.420 2.942 20 30 CFEDMN C=CC[C@H]1CC[N@@H+](CC(=O)N2CCCc3ccccc32)C1 ZINC000625699230 354088475 /nfs/dbraw/zinc/08/84/75/354088475.db2.gz BNAALRCTAXCAAG-HNNXBMFYSA-N 0 1 284.403 2.864 20 30 CFEDMN C=CC[C@@H]1CCN(Cc2nc(CC(F)(F)F)no2)C1 ZINC000625701372 354089234 /nfs/dbraw/zinc/08/92/34/354089234.db2.gz QLVROAYQUZRLIY-SECBINFHSA-N 0 1 275.274 2.572 20 30 CFEDMN C=CC[C@H]1CCN(CC(=O)Nc2cc(C)ccc2OC)C1 ZINC000625702938 354090465 /nfs/dbraw/zinc/09/04/65/354090465.db2.gz KAGRRDYUEVLQSC-AWEZNQCLSA-N 0 1 288.391 2.840 20 30 CFEDMN C=CC[C@@H]1CCN(CC(=O)c2cc(C)n(C)c2C)C1 ZINC000625703774 354091391 /nfs/dbraw/zinc/09/13/91/354091391.db2.gz OXLDWWZMDNRRNM-CQSZACIVSA-N 0 1 260.381 2.723 20 30 CFEDMN C=CC(C)(C)CCNC(=O)c1ccc2cncn2c1 ZINC000628313617 354538990 /nfs/dbraw/zinc/53/89/90/354538990.db2.gz VPLLVDZLBIAXRO-UHFFFAOYSA-N 0 1 257.337 2.666 20 30 CFEDMN C=CC(C)(C)CCNC(=O)c1n[nH]c2ccccc21 ZINC000628318435 354542623 /nfs/dbraw/zinc/54/26/23/354542623.db2.gz FCDRUVYDCQEHJX-UHFFFAOYSA-N 0 1 257.337 2.895 20 30 CFEDMN C=CCN(CCOC)Cc1ccc(OC)c(OC2CC2)c1 ZINC000628251823 354503006 /nfs/dbraw/zinc/50/30/06/354503006.db2.gz XKTPUQFLZWJKSC-UHFFFAOYSA-N 0 1 291.391 2.871 20 30 CFEDMN C#CC[C@@H](NCC(=O)N1CCCCCC1)c1ccccc1 ZINC000271747184 191304080 /nfs/dbraw/zinc/30/40/80/191304080.db2.gz WUKFLUVBZZCGEZ-QGZVFWFLSA-N 0 1 284.403 2.743 20 30 CFEDMN C=CC[C@H]1CC[N@H+](CCc2ccccc2C(=O)[O-])C1 ZINC000629366454 354789192 /nfs/dbraw/zinc/78/91/92/354789192.db2.gz NOIFIYJGKCUJDF-ZDUSSCGKSA-N 0 1 259.349 2.825 20 30 CFEDMN C=CC[C@H]1CC[N@H+](CCOc2cccc(C(=O)[O-])c2)C1 ZINC000629366670 354789299 /nfs/dbraw/zinc/78/92/99/354789299.db2.gz SBIUWHYLCIPTBM-ZDUSSCGKSA-N 0 1 275.348 2.662 20 30 CFEDMN C=C1CC(C)(C(=O)NC[C@@H](c2ccsc2)N(C)C)C1 ZINC000630705709 355155018 /nfs/dbraw/zinc/15/50/18/355155018.db2.gz YHQIPAXDQCWJMV-ZDUSSCGKSA-N 0 1 278.421 2.823 20 30 CFEDMN C=C[C@H]1CCCCN1C(=O)c1n[nH]cc1C(F)(F)F ZINC000632780535 355744031 /nfs/dbraw/zinc/74/40/31/355744031.db2.gz KYBHDORWADIDQX-QMMMGPOBSA-N 0 1 273.258 2.609 20 30 CFEDMN N#Cc1ccc(C(=O)Nc2nc3cc(F)ccc3[nH]2)cc1O ZINC000428039214 283135063 /nfs/dbraw/zinc/13/50/63/283135063.db2.gz CIFLOBWGFDDZIX-UHFFFAOYSA-N 0 1 296.261 2.532 20 30 CFEDMN C=CCCC(C)(C)CNC(=O)[C@@H]1CCCc2[nH]ncc21 ZINC000633965195 356045841 /nfs/dbraw/zinc/04/58/41/356045841.db2.gz LBBDKLKWSDNLCO-GFCCVEGCSA-N 0 1 275.396 2.938 20 30 CFEDMN C=CCCC(C)(C)CNC(=O)[C@@H](C)Cc1cnc[nH]1 ZINC000633966099 356046429 /nfs/dbraw/zinc/04/64/29/356046429.db2.gz FHFTXHMMYVFRNL-LBPRGKRZSA-N 0 1 263.385 2.697 20 30 CFEDMN C=CCCC(C)(C)CNC(=O)[C@@H]1CCc2[nH]cnc2C1 ZINC000633966950 356047540 /nfs/dbraw/zinc/04/75/40/356047540.db2.gz WQMIREMQMZMFGV-GFCCVEGCSA-N 0 1 275.396 2.623 20 30 CFEDMN C=CC(C)(C)CNC(=O)c1cc(F)cc2nc[nH]c21 ZINC000456120396 540262516 /nfs/dbraw/zinc/26/25/16/540262516.db2.gz UYFIYTVVKYYSAB-UHFFFAOYSA-N 0 1 261.300 2.644 20 30 CFEDMN C=CC[C@H](CO)NCc1cscc1Br ZINC000336667042 540264440 /nfs/dbraw/zinc/26/44/40/540264440.db2.gz VWUYPMHOUDYFRD-SECBINFHSA-N 0 1 276.199 2.537 20 30 CFEDMN C=CC(C)(C)C(=O)NC[C@H](C)N1CCc2ccccc2C1 ZINC000294505412 199065592 /nfs/dbraw/zinc/06/55/92/199065592.db2.gz VNFGJCKSBXJOBO-AWEZNQCLSA-N 0 1 286.419 2.762 20 30 CFEDMN C#Cc1cccc(NC(=O)N2CCN([C@@H](C)CC)CC2)c1 ZINC000296351249 199862851 /nfs/dbraw/zinc/86/28/51/199862851.db2.gz NDBAIABASYIQFZ-AWEZNQCLSA-N 0 1 285.391 2.616 20 30 CFEDMN C=C(C)CN1CCC(Nc2nc([C@@H](C)OC)ns2)CC1 ZINC000669823240 540582701 /nfs/dbraw/zinc/58/27/01/540582701.db2.gz WYJRQNKZEJJUIK-LLVKDONJSA-N 0 1 296.440 2.698 20 30 CFEDMN CCC#C[C@@H](C)N[C@H](C)c1ccc(S(=O)(=O)CC)cc1 ZINC000671256278 540609867 /nfs/dbraw/zinc/60/98/67/540609867.db2.gz VTTMECNXKAZASS-ZIAGYGMSSA-N 0 1 293.432 2.933 20 30 CFEDMN C=CCC[C@@H](O)CN1CC[C@](F)(c2ccccc2)C1 ZINC000669943035 540624126 /nfs/dbraw/zinc/62/41/26/540624126.db2.gz SZQQRAPGTYNPJN-HZPDHXFCSA-N 0 1 263.356 2.884 20 30 CFEDMN C=CCC[C@H](NC(=O)N(C)Cc1nnc[nH]1)c1ccccc1 ZINC000297449927 200194330 /nfs/dbraw/zinc/19/43/30/200194330.db2.gz VFCMBBXYWBNWQH-AWEZNQCLSA-N 0 1 299.378 2.654 20 30 CFEDMN C=CCC[C@@H](NC(=O)N(C)Cc1nnc[nH]1)c1ccccc1 ZINC000297449932 200194664 /nfs/dbraw/zinc/19/46/64/200194664.db2.gz VFCMBBXYWBNWQH-CQSZACIVSA-N 0 1 299.378 2.654 20 30 CFEDMN CCCN(Cc1ccc(C#N)cc1)[C@H]1CCN(C(C)C)C1=O ZINC000297733928 200271886 /nfs/dbraw/zinc/27/18/86/200271886.db2.gz CSNBHTIIXLMTAW-KRWDZBQOSA-N 0 1 299.418 2.780 20 30 CFEDMN C=CCN1CC[C@@H](N(C)CCc2cccc(Cl)c2)C1=O ZINC000298151904 200346432 /nfs/dbraw/zinc/34/64/32/200346432.db2.gz RSYGTYUHNSGHQD-OAHLLOKOSA-N 0 1 292.810 2.601 20 30 CFEDMN C=CCC[C@H](O)CN1CCc2[nH]c3ccccc3c2C1 ZINC000178123541 189091885 /nfs/dbraw/zinc/09/18/85/189091885.db2.gz MTNVRBDRXPUDPS-ZDUSSCGKSA-N 0 1 270.376 2.853 20 30 CFEDMN C#CCN1CCC(C(=O)N(CC)c2cccc(C)c2)CC1 ZINC000299313814 200675606 /nfs/dbraw/zinc/67/56/06/200675606.db2.gz FVVNYRHTZARWMI-UHFFFAOYSA-N 0 1 284.403 2.693 20 30 CFEDMN C=CC[C@H](Cc1ccccc1)NC(=O)[C@H]1CCCCN1C ZINC000666032920 540896932 /nfs/dbraw/zinc/89/69/32/540896932.db2.gz WFKKWCOWUOPOLY-IAGOWNOFSA-N 0 1 286.419 2.774 20 30 CFEDMN C=CCNC(=O)CN[C@@H](CC)c1ccc(Cl)s1 ZINC000180030103 189233405 /nfs/dbraw/zinc/23/34/05/189233405.db2.gz IUNPJGSYXDASNM-VIFPVBQESA-N 0 1 272.801 2.744 20 30 CFEDMN N#Cc1ccc([C@@H](O)CN(Cc2cccnc2)C2CC2)cc1 ZINC000180742253 189272911 /nfs/dbraw/zinc/27/29/11/189272911.db2.gz HLFJWQYQMVQIMY-SFHVURJKSA-N 0 1 293.370 2.651 20 30 CFEDMN C=CCOCCNc1nccc2cc(OC)c(OC)cc21 ZINC000313867505 541042056 /nfs/dbraw/zinc/04/20/56/541042056.db2.gz JHQRCFUVJNZWHO-UHFFFAOYSA-N 0 1 288.347 2.867 20 30 CFEDMN COC[C@@H](NCCOc1ccc(C#N)cc1)c1ccco1 ZINC000184554619 189389227 /nfs/dbraw/zinc/38/92/27/189389227.db2.gz GPLXGSQETVATQL-OAHLLOKOSA-N 0 1 286.331 2.507 20 30 CFEDMN CN(C)Cc1ccc(CNc2ccc(C#N)nc2)cc1F ZINC000301899224 201253048 /nfs/dbraw/zinc/25/30/48/201253048.db2.gz XQHOPYNBSWWGJL-UHFFFAOYSA-N 0 1 284.338 2.766 20 30 CFEDMN CC(=O)Nc1ccc(CN[C@@H](C)c2ccc(C#N)cc2)cn1 ZINC000432490816 240013618 /nfs/dbraw/zinc/01/36/18/240013618.db2.gz AOUXURWGJDAGRX-LBPRGKRZSA-N 0 1 294.358 2.762 20 30 CFEDMN CC(=O)Nc1ccc(CN[C@H](C)c2ccc(C#N)cc2)cn1 ZINC000432490815 240014495 /nfs/dbraw/zinc/01/44/95/240014495.db2.gz AOUXURWGJDAGRX-GFCCVEGCSA-N 0 1 294.358 2.762 20 30 CFEDMN CC[C@@H]1CCN(Cc2nnc(-c3cccc(C#N)c3)o2)C1 ZINC000446729282 241316904 /nfs/dbraw/zinc/31/69/04/241316904.db2.gz ONXQWVDTDGEBKM-GFCCVEGCSA-N 0 1 282.347 2.840 20 30 CFEDMN CCCN1C(=O)N=NC1SCc1ccc(C#N)c(C)c1 ZINC000447291984 241361836 /nfs/dbraw/zinc/36/18/36/241361836.db2.gz IMTMEVYUCDBXRY-UHFFFAOYSA-N 0 1 288.376 2.866 20 30 CFEDMN CCCN1CCN(c2nc3ccccc3c(C)c2C#N)CC1 ZINC000450212046 242308541 /nfs/dbraw/zinc/30/85/41/242308541.db2.gz BMWHZIJDEMLVDO-UHFFFAOYSA-N 0 1 294.402 2.947 20 30 CFEDMN C#CCC1(C(=O)NCCCc2cn[nH]c2C)CCCCC1 ZINC000276213942 193246003 /nfs/dbraw/zinc/24/60/03/193246003.db2.gz BHDVJSRRVXGBFS-UHFFFAOYSA-N 0 1 287.407 2.741 20 30 CFEDMN C=CCCN(C)[C@@H](C)C(=O)Nc1cccc(F)c1 ZINC000276386761 193310028 /nfs/dbraw/zinc/31/00/28/193310028.db2.gz IUQUOPNTSGHIDA-NSHDSACASA-N 0 1 250.317 2.661 20 30 CFEDMN C=CCCN(C)[C@@H](C(=O)NC1CC1)c1ccccc1 ZINC000276449976 193336127 /nfs/dbraw/zinc/33/61/27/193336127.db2.gz PKNRQDXFIBPIEX-OAHLLOKOSA-N 0 1 258.365 2.514 20 30 CFEDMN CO[C@H]1C[C@@H](NCc2ccc(F)cc2C#N)C12CCC2 ZINC000459760887 245309753 /nfs/dbraw/zinc/30/97/53/245309753.db2.gz MUXKIUYTCTVVTN-CABCVRRESA-N 0 1 274.339 2.745 20 30 CFEDMN Cc1cc(C)cc(NS(=O)(=O)c2ccccc2C#N)c1 ZINC000016130013 372100083 /nfs/dbraw/zinc/10/00/83/372100083.db2.gz AZEIUOGQNOITMW-UHFFFAOYSA-N 0 1 286.356 2.976 20 30 CFEDMN C=CCNC(=O)[C@@H](C)N(C)Cc1ccc2ccccc2c1 ZINC000025679431 372306765 /nfs/dbraw/zinc/30/67/65/372306765.db2.gz LFKCOJVBXYHYDE-CQSZACIVSA-N 0 1 282.387 2.962 20 30 CFEDMN CCCCN(CC(=O)Nc1ccc(C#N)cc1)C1CC1 ZINC000026450450 372319973 /nfs/dbraw/zinc/31/99/73/372319973.db2.gz QYXUWHJLWSQMGE-UHFFFAOYSA-N 0 1 271.364 2.761 20 30 CFEDMN N#Cc1ccc(S(=O)(=O)Nc2cccc3cc[nH]c32)cc1 ZINC000027216638 372337529 /nfs/dbraw/zinc/33/75/29/372337529.db2.gz JSVFRMBPBNSBEV-UHFFFAOYSA-N 0 1 297.339 2.840 20 30 CFEDMN CC[C@@H]1CCCN(CC(=O)Nc2ccc(C#N)cc2)C1 ZINC000030142065 372391105 /nfs/dbraw/zinc/39/11/05/372391105.db2.gz OLWGLKFLVQCYOX-CYBMUJFWSA-N 0 1 271.364 2.619 20 30 CFEDMN Cc1csc(C(C#N)C(=O)c2cccc(C#N)c2)n1 ZINC000041521504 372845405 /nfs/dbraw/zinc/84/54/05/372845405.db2.gz KIHRJVJFRWPYTJ-GFCCVEGCSA-N 0 1 267.313 2.813 20 30 CFEDMN COc1ccccc1C(=O)C(C#N)c1nc(C)cs1 ZINC000041520423 372846122 /nfs/dbraw/zinc/84/61/22/372846122.db2.gz FTWDZAPWYQTYTN-NSHDSACASA-N 0 1 272.329 2.950 20 30 CFEDMN CC(=O)Nc1cccc(C(=O)C(C#N)c2nc(C)cs2)c1 ZINC000041519497 372846418 /nfs/dbraw/zinc/84/64/18/372846418.db2.gz FNKPIAIJMHUNOK-CYBMUJFWSA-N 0 1 299.355 2.900 20 30 CFEDMN N#Cc1ccc(F)c(CN2CCCSCC2)c1 ZINC000042443872 372924247 /nfs/dbraw/zinc/92/42/47/372924247.db2.gz NNDHNTUPRMHDQU-UHFFFAOYSA-N 0 1 250.342 2.636 20 30 CFEDMN C[C@H](c1ccc(S(C)(=O)=O)cc1)N(C)CCCCC#N ZINC000263833374 383687821 /nfs/dbraw/zinc/68/78/21/383687821.db2.gz WEEXQCKEQCZPIE-CYBMUJFWSA-N 0 1 294.420 2.777 20 30 CFEDMN Cc1occc1CN(C)CCOc1cccc(C#N)c1 ZINC000048755907 373218562 /nfs/dbraw/zinc/21/85/62/373218562.db2.gz RQLUPARXEPLCRH-UHFFFAOYSA-N 0 1 270.332 2.971 20 30 CFEDMN CN(CCC(=O)Nc1sccc1C#N)Cc1ccoc1 ZINC000048839387 373224479 /nfs/dbraw/zinc/22/44/79/373224479.db2.gz YBMSCSIUGGPMCR-UHFFFAOYSA-N 0 1 289.360 2.673 20 30 CFEDMN CCN(CCC(=O)Nc1ccc(F)cc1)C[C@@H](C)C#N ZINC000049000683 373248997 /nfs/dbraw/zinc/24/89/97/373248997.db2.gz MQNLDZMXOYJSHV-LBPRGKRZSA-N 0 1 277.343 2.636 20 30 CFEDMN C=CCCO[C@@H](C)C(=O)Nc1ccc2nc(C)[nH]c2c1 ZINC000049341209 373288806 /nfs/dbraw/zinc/28/88/06/373288806.db2.gz ZZXYFNQLOUYIPQ-JTQLQIEISA-N 0 1 273.336 2.791 20 30 CFEDMN C#C[C@H](C)NCc1cc(Cl)c(OC)c(OCC)c1 ZINC000289644572 197432035 /nfs/dbraw/zinc/43/20/35/197432035.db2.gz XVCHFUAWFSZPIH-JTQLQIEISA-N 0 1 267.756 2.859 20 30 CFEDMN Cc1ncc(CN(C)CCOc2cccc(C#N)c2)s1 ZINC000052101691 373436991 /nfs/dbraw/zinc/43/69/91/373436991.db2.gz BCGMSKSRKHMFTF-UHFFFAOYSA-N 0 1 287.388 2.834 20 30 CFEDMN Cc1nc([C@@H](Nc2ncccc2C#N)c2ccccc2)n[nH]1 ZINC000057840170 373613864 /nfs/dbraw/zinc/61/38/64/373613864.db2.gz PZHWLHVQNFWELY-AWEZNQCLSA-N 0 1 290.330 2.581 20 30 CFEDMN C=C(C)CN(CC)CC(=O)N(C)Cc1ccccc1 ZINC000061758539 373725569 /nfs/dbraw/zinc/72/55/69/373725569.db2.gz KKDMYUAYQDJVNU-UHFFFAOYSA-N 0 1 260.381 2.543 20 30 CFEDMN C=C(C)CN(CC)CC(=O)NCC1CCCCC1 ZINC000066560358 373937184 /nfs/dbraw/zinc/93/71/84/373937184.db2.gz CSHDUUNSPVITFA-UHFFFAOYSA-N 0 1 252.402 2.581 20 30 CFEDMN Cc1ncsc1CN(C)CCOc1ccc(C#N)cc1 ZINC000066564575 373939065 /nfs/dbraw/zinc/93/90/65/373939065.db2.gz ODEFOVKRXZJFFZ-UHFFFAOYSA-N 0 1 287.388 2.834 20 30 CFEDMN C#CCN1CCC(C(=O)N(CC)c2ccccc2C)CC1 ZINC000067204261 373972927 /nfs/dbraw/zinc/97/29/27/373972927.db2.gz UZJSXRHNFCHYNU-UHFFFAOYSA-N 0 1 284.403 2.693 20 30 CFEDMN C=C(C)CN(CC)CC(=O)N(C)Cc1ccccc1C ZINC000072553284 374263789 /nfs/dbraw/zinc/26/37/89/374263789.db2.gz WPMUOMYGVSPFLA-UHFFFAOYSA-N 0 1 274.408 2.851 20 30 CFEDMN CC[C@H](C)N(C)CC(=O)Nc1ccccc1SCC#N ZINC000072601545 374268120 /nfs/dbraw/zinc/26/81/20/374268120.db2.gz ARWLQPYSFIQPSB-LBPRGKRZSA-N 0 1 291.420 2.971 20 30 CFEDMN COCC#CCN(C)Cc1ccc2cc(OC)ccc2c1 ZINC000677816794 541909866 /nfs/dbraw/zinc/90/98/66/541909866.db2.gz CFBIKXQHLYMFGZ-UHFFFAOYSA-N 0 1 283.371 2.930 20 30 CFEDMN N#Cc1ccc(-c2nnc(CN3CCCCCC3)o2)cc1 ZINC000075620379 374495282 /nfs/dbraw/zinc/49/52/82/374495282.db2.gz CLTXHOQDQXJBND-UHFFFAOYSA-N 0 1 282.347 2.984 20 30 CFEDMN C=C(C)CN(CC)C(=O)[C@H](C)N1CCS[C@H](CC)C1 ZINC000076073716 374530319 /nfs/dbraw/zinc/53/03/19/374530319.db2.gz IBKVIDSASTYABS-UONOGXRCSA-N 0 1 284.469 2.627 20 30 CFEDMN CCN1C[C@H](C)N(C(=O)/C=C/c2ccc(C#N)cc2)C[C@@H]1C ZINC000492263914 246238148 /nfs/dbraw/zinc/23/81/48/246238148.db2.gz UPDNDKXKLAVNJJ-CWCINCBISA-N 0 1 297.402 2.513 20 30 CFEDMN CCN1C[C@H](C)N(C(=O)/C=C/c2cccc(C#N)c2)C[C@H]1C ZINC000492293584 246247757 /nfs/dbraw/zinc/24/77/57/246247757.db2.gz FYLCRZKEFOCTOX-PQAPVRDISA-N 0 1 297.402 2.513 20 30 CFEDMN COc1ccc(CN[C@@H](C)c2ccccn2)cc1C#N ZINC000087822507 374831427 /nfs/dbraw/zinc/83/14/27/374831427.db2.gz VMLGBELVBUVKQR-LBPRGKRZSA-N 0 1 267.332 2.813 20 30 CFEDMN Cc1cccc2nc(CCC(=O)N[C@H](C#N)C(C)(C)C)[nH]c21 ZINC000085437158 374802804 /nfs/dbraw/zinc/80/28/04/374802804.db2.gz ZFNIEGNCWHLQFO-CYBMUJFWSA-N 0 1 298.390 2.858 20 30 CFEDMN COc1ccc(CN[C@H](C)c2ccccn2)cc1C#N ZINC000087822508 374831085 /nfs/dbraw/zinc/83/10/85/374831085.db2.gz VMLGBELVBUVKQR-GFCCVEGCSA-N 0 1 267.332 2.813 20 30 CFEDMN CN(Cc1cccc(C#N)c1F)[C@H](CO)CC(C)(C)C ZINC000451778066 383705122 /nfs/dbraw/zinc/70/51/22/383705122.db2.gz CGVBHPQJWNXWSY-AWEZNQCLSA-N 0 1 278.371 2.926 20 30 CFEDMN C=CCO[N-]C(=O)[C@@H]1CCC[N@@H+]1Cc1ccc(Cl)cc1 ZINC000529469290 383705362 /nfs/dbraw/zinc/70/53/62/383705362.db2.gz QUYWDVMKCKRUDF-AWEZNQCLSA-N 0 1 294.782 2.538 20 30 CFEDMN C=CCN(Cc1c[nH]c(C(=O)OC)c1)Cc1ccccc1 ZINC000092261584 375099602 /nfs/dbraw/zinc/09/96/02/375099602.db2.gz MCLKTGZFCXQGCM-UHFFFAOYSA-N 0 1 284.359 2.990 20 30 CFEDMN CC(C)OC(=O)[C@@H](C)N(C)CC(C)(C)CCC#N ZINC000093773423 375310195 /nfs/dbraw/zinc/31/01/95/375310195.db2.gz AVNVOVPOYATYLH-GFCCVEGCSA-N 0 1 254.374 2.588 20 30 CFEDMN N#Cc1ccsc1NC(=O)C[N@H+]1CCC[C@@H]1C1CCC1 ZINC000102925922 375702033 /nfs/dbraw/zinc/70/20/33/375702033.db2.gz LRVJMSOMJORIPM-CYBMUJFWSA-N 0 1 289.404 2.823 20 30 CFEDMN N#Cc1ccsc1NC(=O)CN1CCC[C@@H]1C1CCC1 ZINC000102925922 375702037 /nfs/dbraw/zinc/70/20/37/375702037.db2.gz LRVJMSOMJORIPM-CYBMUJFWSA-N 0 1 289.404 2.823 20 30 CFEDMN Cn1cc[nH+]c1CC1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000105875682 375792041 /nfs/dbraw/zinc/79/20/41/375792041.db2.gz QPKPVRMQBAOREZ-UHFFFAOYSA-N 0 1 294.402 2.746 20 30 CFEDMN COC[C@@H]1CCCN(Cc2cc(C#N)ccc2F)C1 ZINC000112988053 375983543 /nfs/dbraw/zinc/98/35/43/375983543.db2.gz VNUWJHMATRXZPE-CYBMUJFWSA-N 0 1 262.328 2.556 20 30 CFEDMN COC[C@H]1CCCN(Cc2cc(C#N)ccc2F)C1 ZINC000112988055 375984057 /nfs/dbraw/zinc/98/40/57/375984057.db2.gz VNUWJHMATRXZPE-ZDUSSCGKSA-N 0 1 262.328 2.556 20 30 CFEDMN CCc1n[nH]c(S[C@H](C#N)C2CCCCC2)n1 ZINC000115186818 376113122 /nfs/dbraw/zinc/11/31/22/376113122.db2.gz CWQUVBXTRDYKPZ-SNVBAGLBSA-N 0 1 250.371 2.932 20 30 CFEDMN CCc1nc(S[C@H](C#N)C2CCCCC2)n[nH]1 ZINC000115186818 376113127 /nfs/dbraw/zinc/11/31/27/376113127.db2.gz CWQUVBXTRDYKPZ-SNVBAGLBSA-N 0 1 250.371 2.932 20 30 CFEDMN CC[C@H]1CCCN([C@H](C(N)=O)c2ccc(C#N)cc2)CC1 ZINC000117343937 376237941 /nfs/dbraw/zinc/23/79/41/376237941.db2.gz HWUUCDDMKFWGJO-BBRMVZONSA-N 0 1 285.391 2.597 20 30 CFEDMN CN(Cc1ccc(C#N)s1)C[C@@H]1CCCCO1 ZINC000118943603 376324723 /nfs/dbraw/zinc/32/47/23/376324723.db2.gz FNBYSQNIIACTQM-NSHDSACASA-N 0 1 250.367 2.621 20 30 CFEDMN C=C(C)CN1CCN(C/C=C/c2ccccc2)CC1 ZINC000263840578 190081210 /nfs/dbraw/zinc/08/12/10/190081210.db2.gz CSBIMVPOFVAANC-RMKNXTFCSA-N 0 1 256.393 2.894 20 30 CFEDMN CCN(Cc1ccnn1C)[C@H](C)c1ccc(C#N)cc1 ZINC000119871680 376493458 /nfs/dbraw/zinc/49/34/58/376493458.db2.gz DOCOUGVIEBXAQY-CYBMUJFWSA-N 0 1 268.364 2.875 20 30 CFEDMN CC(C)(C)CN(CCC#N)C(=O)c1cc(C2CC2)[nH]n1 ZINC000264240238 383713950 /nfs/dbraw/zinc/71/39/50/383713950.db2.gz JGICJBNVTVCMHR-UHFFFAOYSA-N 0 1 274.368 2.689 20 30 CFEDMN CN(CCC1CCOCC1)Cc1ccc(F)cc1C#N ZINC000120775057 376689858 /nfs/dbraw/zinc/68/98/58/376689858.db2.gz ODVMAOSNGJKOBH-UHFFFAOYSA-N 0 1 276.355 2.946 20 30 CFEDMN C=C(C)COCCNCc1nc2c(s1)CCCC2 ZINC000678955445 542101141 /nfs/dbraw/zinc/10/11/41/542101141.db2.gz DEMLJUKOUXUOGO-UHFFFAOYSA-N 0 1 266.410 2.704 20 30 CFEDMN COc1cc(C#N)ccc1CN1CC[C@H](OCC(C)C)C1 ZINC000121213941 376783870 /nfs/dbraw/zinc/78/38/70/376783870.db2.gz RZFSVPDELHNSMX-INIZCTEOSA-N 0 1 288.391 2.814 20 30 CFEDMN C=CCN(C)[C@@H](C)C(=O)NC12CC3CC(CC(C3)C1)C2 ZINC000121420369 376827604 /nfs/dbraw/zinc/82/76/04/376827604.db2.gz YFRZJCQGPHZIEE-ORVZXPRGSA-N 0 1 276.424 2.578 20 30 CFEDMN N#C[C@@H](c1ccccc1)[C@@H]1CCCN1CCC1OCCO1 ZINC000124503375 377055961 /nfs/dbraw/zinc/05/59/61/377055961.db2.gz GIGKYLKCAJRAHC-HOTGVXAUSA-N 0 1 286.375 2.521 20 30 CFEDMN N#C[C@H](c1ccccc1)[C@@H]1CCCN1CCC1OCCO1 ZINC000124503142 377056816 /nfs/dbraw/zinc/05/68/16/377056816.db2.gz GIGKYLKCAJRAHC-CVEARBPZSA-N 0 1 286.375 2.521 20 30 CFEDMN CN(C(=O)c1cc(-c2cccs2)[nH]n1)C1(C#N)CCC1 ZINC000126485876 377230700 /nfs/dbraw/zinc/23/07/00/377230700.db2.gz LGBWRMIPEMQGPE-UHFFFAOYSA-N 0 1 286.360 2.656 20 30 CFEDMN C=C(C)CN(CC)[C@H](C(=O)NC1CC1)c1ccccc1 ZINC000127971279 377310931 /nfs/dbraw/zinc/31/09/31/377310931.db2.gz IWIOTJUWGSKMCS-INIZCTEOSA-N 0 1 272.392 2.904 20 30 CFEDMN CC(C)(C)OC(=O)N[C@H]1CCN(CCC(C)(C)C#N)C1 ZINC000131540885 377725374 /nfs/dbraw/zinc/72/53/74/377725374.db2.gz HYIHKNRZMBZUSI-LBPRGKRZSA-N 0 1 281.400 2.525 20 30 CFEDMN C=CCC[N@@H+]1CCCN(C(=O)c2ccc(F)cc2)CC1 ZINC000132467334 377843897 /nfs/dbraw/zinc/84/38/97/377843897.db2.gz FKDHJFWNZFKFAL-UHFFFAOYSA-N 0 1 276.355 2.550 20 30 CFEDMN CC(C)C(N)=NOCc1cc(-c2cccs2)on1 ZINC000133663483 377947332 /nfs/dbraw/zinc/94/73/32/377947332.db2.gz HQNZUWKDJVGAQA-UHFFFAOYSA-N 0 1 265.338 2.848 20 30 CFEDMN Cc1ccc(C#N)cc1NC(=O)[C@H]1CCCc2[nH]ncc21 ZINC000133930796 377968607 /nfs/dbraw/zinc/96/86/07/377968607.db2.gz GCKTYCUGMSVFJJ-LBPRGKRZSA-N 0 1 280.331 2.648 20 30 CFEDMN COc1ccc(CN2CCS[C@H](C)C2)cc1C#N ZINC000135043769 378078439 /nfs/dbraw/zinc/07/84/39/378078439.db2.gz XUGJRYCRERMVOK-LLVKDONJSA-N 0 1 262.378 2.504 20 30 CFEDMN CN(C)C(=O)[C@@H]1CCCN1Cc1ccccc1C(C)(C)C#N ZINC000135110177 378083079 /nfs/dbraw/zinc/08/30/79/378083079.db2.gz IKFWXTAGDPYLRM-INIZCTEOSA-N 0 1 299.418 2.540 20 30 CFEDMN Cc1nc2ccccc2n1CCNCc1ccc(C#N)o1 ZINC000135134009 378088067 /nfs/dbraw/zinc/08/80/67/378088067.db2.gz UTTOXIAWVSZZNO-UHFFFAOYSA-N 0 1 280.331 2.599 20 30 CFEDMN C=CCCCCCN(C)CC(=O)N(C)c1nccs1 ZINC000150889082 378278824 /nfs/dbraw/zinc/27/88/24/378278824.db2.gz WJBKOWNYGLZASH-UHFFFAOYSA-N 0 1 281.425 2.784 20 30 CFEDMN C[C@H](C(=O)Nc1ccccc1C#N)N1C[C@H]2CCC[C@@H]2C1 ZINC000148076224 378255248 /nfs/dbraw/zinc/25/52/48/378255248.db2.gz ACBHNRMRRNBISI-BPLDGKMQSA-N 0 1 283.375 2.617 20 30 CFEDMN COc1cccc([C@H](C)NCc2ccnc(C#N)c2)c1 ZINC000148320997 378256283 /nfs/dbraw/zinc/25/62/83/378256283.db2.gz SBNHRLUBFJMPQQ-LBPRGKRZSA-N 0 1 267.332 2.813 20 30 CFEDMN C[C@H](C#N)Sc1nc(-c2ccc3c(c2)CCC3)n[nH]1 ZINC000151213800 378308601 /nfs/dbraw/zinc/30/86/01/378308601.db2.gz FGFWNILVKMFKOP-SECBINFHSA-N 0 1 270.361 2.965 20 30 CFEDMN C#CCN1CCC(C(=O)N2c3ccccc3CC[C@@H]2C)CC1 ZINC000151303553 378315251 /nfs/dbraw/zinc/31/52/51/378315251.db2.gz QZGQOSUQAABPOO-HNNXBMFYSA-N 0 1 296.414 2.700 20 30 CFEDMN C[C@@H](NC(=O)c1coc(C2CCCCC2)n1)c1nnc[nH]1 ZINC000328700830 378416724 /nfs/dbraw/zinc/41/67/24/378416724.db2.gz WKCRLCFPJRTBQW-SECBINFHSA-N 0 1 289.339 2.906 20 30 CFEDMN Cc1nc2cc(NCc3ccc(C#N)o3)ccc2n1C ZINC000151956989 378376653 /nfs/dbraw/zinc/37/66/53/378376653.db2.gz PKWXFRMQAMUCEP-UHFFFAOYSA-N 0 1 266.304 2.959 20 30 CFEDMN O=C(N[C@@H]1CCc2nc[nH]c2C1)[C@@H]1OCCc2ccccc21 ZINC000328953174 378444207 /nfs/dbraw/zinc/44/42/07/378444207.db2.gz OAJCVOXMCWQBQH-MLGOLLRUSA-N 0 1 297.358 2.538 20 30 CFEDMN Cc1nc(CCNC(=O)c2c(C)n[nH]c2C(C)C)c(C)o1 ZINC000328998968 378447631 /nfs/dbraw/zinc/44/76/31/378447631.db2.gz GFOWZAIJKYHNAG-UHFFFAOYSA-N 0 1 290.367 2.994 20 30 CFEDMN C[C@H](C(=O)NC1CC1)N1CC[C@@H](n2ncc3ccccc32)C1 ZINC000329356621 378458354 /nfs/dbraw/zinc/45/83/54/378458354.db2.gz WGPFWJPMOWMTKZ-IUODEOHRSA-N 0 1 298.390 2.791 20 30 CFEDMN CC(C)c1nc([C@H](C)NC(=O)N[C@@H]2CCC[C@@H]2C)n[nH]1 ZINC000328721012 378417879 /nfs/dbraw/zinc/41/78/79/378417879.db2.gz QYQICRGXEPYZOP-GARJFASQSA-N 0 1 279.388 2.681 20 30 CFEDMN CCS[C@@H]1CCC[C@@H]1NC(=O)[C@H]1CCc2[nH]nnc2C1 ZINC000328780408 378424385 /nfs/dbraw/zinc/42/43/85/378424385.db2.gz MNXNFRJCZQAQRM-XHVZSJERSA-N 0 1 294.424 2.540 20 30 CFEDMN CCS[C@@H]1CCC[C@@H]1NC(=O)[C@H]1CCc2nn[nH]c2C1 ZINC000328780408 378424389 /nfs/dbraw/zinc/42/43/89/378424389.db2.gz MNXNFRJCZQAQRM-XHVZSJERSA-N 0 1 294.424 2.540 20 30 CFEDMN Cc1cc(C(C#N)C(=O)c2scnc2C2CC2)nc(C)n1 ZINC000328814958 378428764 /nfs/dbraw/zinc/42/87/64/378428764.db2.gz CGNOJNQCYOUGAP-NSHDSACASA-N 0 1 298.371 2.917 20 30 CFEDMN Cc1cc([C@H](C#N)C(=O)c2scnc2C2CC2)nc(C)n1 ZINC000328814958 378428769 /nfs/dbraw/zinc/42/87/69/378428769.db2.gz CGNOJNQCYOUGAP-NSHDSACASA-N 0 1 298.371 2.917 20 30 CFEDMN Cc1cc(C(C#N)C(=O)c2scnc2C2CC2)nc(C)n1 ZINC000328814957 378428964 /nfs/dbraw/zinc/42/89/64/378428964.db2.gz CGNOJNQCYOUGAP-LLVKDONJSA-N 0 1 298.371 2.917 20 30 CFEDMN Cc1cc([C@@H](C#N)C(=O)c2scnc2C2CC2)nc(C)n1 ZINC000328814957 378428972 /nfs/dbraw/zinc/42/89/72/378428972.db2.gz CGNOJNQCYOUGAP-LLVKDONJSA-N 0 1 298.371 2.917 20 30 CFEDMN Cc1noc(C)c1CCN1CCC(NC(=O)C2CC2)CC1 ZINC000328884325 378436139 /nfs/dbraw/zinc/43/61/39/378436139.db2.gz YMFRCWAOXZSTCF-UHFFFAOYSA-N 0 1 291.395 2.665 20 30 CFEDMN CN(CC#Cc1ccc(F)cc1)CCc1ccccn1 ZINC000153062333 378472053 /nfs/dbraw/zinc/47/20/53/378472053.db2.gz WSVZJZDATFKKRD-UHFFFAOYSA-N 0 1 268.335 2.747 20 30 CFEDMN [O-]C(=[NH+][C@@H]1CCn2ccnc2C1)N1CC[C@@H]1c1ccccc1 ZINC000330170226 378525527 /nfs/dbraw/zinc/52/55/27/378525527.db2.gz BSANKONHZCJYIT-HUUCEWRRSA-N 0 1 296.374 2.559 20 30 CFEDMN Cc1cnn([C@@H]2CCCN(C([O-])=[NH+][C@@H]3CC[C@@H](F)C3)C2)c1 ZINC000329687995 378481279 /nfs/dbraw/zinc/48/12/79/378481279.db2.gz AURAKXSOQSSSJC-MGPQQGTHSA-N 0 1 294.374 2.633 20 30 CFEDMN C[C@@H]1CCC[C@H](CNC([O-])=[NH+][C@H]2CCc3c[nH]nc3C2)C1 ZINC000329804539 378497372 /nfs/dbraw/zinc/49/73/72/378497372.db2.gz MCRFYTWKROZKMK-DYEKYZERSA-N 0 1 290.411 2.597 20 30 CFEDMN Cc1[nH]ncc1CNC(=O)N[C@@H]1CC[C@@H]2CCC[C@@H]2C1 ZINC000329808400 378500112 /nfs/dbraw/zinc/50/01/12/378500112.db2.gz AQESTSJFVNFPPE-OUCADQQQSA-N 0 1 276.384 2.691 20 30 CFEDMN Cc1nc(C(C#N)C(=O)NC2CCCCC2)sc1C ZINC000155651316 378630742 /nfs/dbraw/zinc/63/07/42/378630742.db2.gz YEFFQNSRBVVHCM-GFCCVEGCSA-N 0 1 277.393 2.816 20 30 CFEDMN C[C@@H]1CCN([C@H](C(N)=O)c2ccc(C#N)cc2)[C@@H]1C ZINC000331145187 378640485 /nfs/dbraw/zinc/64/04/85/378640485.db2.gz ZBOJGTDOQMOXTM-GYSYKLTISA-N 0 1 257.337 2.865 20 30 CFEDMN CCN(CCC(=O)Nc1cccc(F)c1)C[C@H](C)C#N ZINC000157654659 378657652 /nfs/dbraw/zinc/65/76/52/378657652.db2.gz CSYKRPRMDUYXHT-GFCCVEGCSA-N 0 1 277.343 2.636 20 30 CFEDMN C=CCN(Cc1n[nH]c(CC)n1)CC1CCCCC1 ZINC000158530207 378669343 /nfs/dbraw/zinc/66/93/43/378669343.db2.gz ZCKSGQDIAMMNKK-UHFFFAOYSA-N 0 1 262.401 2.935 20 30 CFEDMN CN(C(=O)c1cc(C2CCCCC2)[nH]n1)C1(C#N)CCC1 ZINC000159525720 378715100 /nfs/dbraw/zinc/71/51/00/378715100.db2.gz BKZDHJZXVVWIEQ-UHFFFAOYSA-N 0 1 286.379 2.976 20 30 CFEDMN N#Cc1ccc(CN[C@H](CCCO)c2ccccc2)o1 ZINC000266173589 190237122 /nfs/dbraw/zinc/23/71/22/190237122.db2.gz SDMBVGXOGPMUQZ-MRXNPFEDSA-N 0 1 270.332 2.755 20 30 CFEDMN N#Cc1cnc(CN[C@H]2CCCCC23CCCC3)nc1 ZINC000333592765 378834557 /nfs/dbraw/zinc/83/45/57/378834557.db2.gz VJBZHTRVQBFZOJ-AWEZNQCLSA-N 0 1 270.380 2.941 20 30 CFEDMN N#CCC[C@H](C#N)CN1CC2(CCC2)[C@@H]1C1CCOCC1 ZINC000333381370 378822392 /nfs/dbraw/zinc/82/23/92/378822392.db2.gz KNSMGRAUQDGISE-ZBFHGGJFSA-N 0 1 287.407 2.711 20 30 CFEDMN C=CCN(C)C(=O)NC[C@H](c1ccco1)N1CCCCC1 ZINC000161142382 378826505 /nfs/dbraw/zinc/82/65/05/378826505.db2.gz FMHDQAYZFLATKE-CQSZACIVSA-N 0 1 291.395 2.634 20 30 CFEDMN C=CCOc1ccccc1CN[C@H](C)c1cnn(C)c1 ZINC000161513601 378852351 /nfs/dbraw/zinc/85/23/51/378852351.db2.gz HSEQNLQFRUYWHU-CYBMUJFWSA-N 0 1 271.364 2.836 20 30 CFEDMN C[C@H](c1cccc(C#N)c1)N1CC[C@H]([C@H](O)C(F)(F)F)C1 ZINC000451884348 383732246 /nfs/dbraw/zinc/73/22/46/383732246.db2.gz GKAWGFQGAQDVQY-SWHYSGLUSA-N 0 1 298.308 2.864 20 30 CFEDMN CC1(C)CCN(Cc2ccc(C#N)o2)CCS1 ZINC000335273431 379003577 /nfs/dbraw/zinc/00/35/77/379003577.db2.gz HXKJROFJEDLMEE-UHFFFAOYSA-N 0 1 250.367 2.869 20 30 CFEDMN N#C[C@H]1CC[C@@H](NCc2cc(O)ccc2Br)C1 ZINC000335285846 379028203 /nfs/dbraw/zinc/02/82/03/379028203.db2.gz JEWLIILSAFSELU-GXSJLCMTSA-N 0 1 295.180 2.937 20 30 CFEDMN C#C[C@@H](C)NCc1ccc(Br)c(F)c1 ZINC000166390240 379055138 /nfs/dbraw/zinc/05/51/38/379055138.db2.gz LLNKTTRESGRQNU-MRVPVSSYSA-N 0 1 256.118 2.700 20 30 CFEDMN C=C(C)COCCNCc1ccc(Br)o1 ZINC000168601204 379092878 /nfs/dbraw/zinc/09/28/78/379092878.db2.gz DCFQTMOFJZNMLD-UHFFFAOYSA-N 0 1 274.158 2.724 20 30 CFEDMN N#Cc1cccc(CN2CCC[C@H](c3ncc[nH]3)C2)c1F ZINC000335445907 379310009 /nfs/dbraw/zinc/31/00/09/379310009.db2.gz MNLRYIRFHVKSBR-AWEZNQCLSA-N 0 1 284.338 2.800 20 30 CFEDMN CCOc1ccc(N(CCC#N)C(=O)c2cn[nH]c2C)cc1 ZINC000171803748 379406545 /nfs/dbraw/zinc/40/65/45/379406545.db2.gz FYZARAUSVNKUKH-UHFFFAOYSA-N 0 1 298.346 2.677 20 30 CFEDMN C[C@H]1CC[N@@H+](CCC2(C#N)CCCCC2)C[C@@H]1O ZINC000334560679 379529442 /nfs/dbraw/zinc/52/94/42/379529442.db2.gz FNHKEPWSTJRVMT-KBPBESRZSA-N 0 1 250.386 2.553 20 30 CFEDMN C#CCN1CCC(C(=O)O[C@H](C)c2cccc(C)c2)CC1 ZINC000172430648 379567559 /nfs/dbraw/zinc/56/75/59/379567559.db2.gz CLLAUGQABBPXNL-OAHLLOKOSA-N 0 1 285.387 2.944 20 30 CFEDMN C=CCC(C)(C)CNC(=O)NCCN1CC=C(C)CC1 ZINC000432347114 383738988 /nfs/dbraw/zinc/73/89/88/383738988.db2.gz NUPDLLACURYVAM-UHFFFAOYSA-N 0 1 279.428 2.540 20 30 CFEDMN C[C@H]1OCC[C@]1(C)NCc1ccc(Cl)cc1C#N ZINC000334707201 379801145 /nfs/dbraw/zinc/80/11/45/379801145.db2.gz HJYCRFZEZJKOLC-YGRLFVJLSA-N 0 1 264.756 2.869 20 30 CFEDMN CC(C)N1CC[C@H](Nc2snc(Cl)c2C#N)C1 ZINC000173975750 379809269 /nfs/dbraw/zinc/80/92/69/379809269.db2.gz RXYMFPAKMJSGEX-QMMMGPOBSA-N 0 1 270.789 2.563 20 30 CFEDMN Cc1ccc(C#N)cc1NC(=O)CN1[C@H](C)CC[C@H]1C ZINC000335760719 379845349 /nfs/dbraw/zinc/84/53/49/379845349.db2.gz FBPONVQJZLMLHL-CHWSQXEVSA-N 0 1 271.364 2.678 20 30 CFEDMN CCOCc1ccc(CNCc2ccc(C#N)o2)cc1 ZINC000174263996 379853983 /nfs/dbraw/zinc/85/39/83/379853983.db2.gz AJHPIHVMUVIUIU-UHFFFAOYSA-N 0 1 270.332 2.978 20 30 CFEDMN CO[C@@H]1CCN(Cc2ccc(C#N)cc2F)C[C@H]1C ZINC000334740337 379858098 /nfs/dbraw/zinc/85/80/98/379858098.db2.gz VTZJQPHWRLXVAX-IAQYHMDHSA-N 0 1 262.328 2.554 20 30 CFEDMN C=C(C)C(C)(C)C(=O)N1C[C@H]2CCCCN2C[C@@H]1C ZINC000335093151 379972261 /nfs/dbraw/zinc/97/22/61/379972261.db2.gz HTSWPKDDQKYOQI-UONOGXRCSA-N 0 1 264.413 2.674 20 30 CFEDMN C#CCN(CC)Cc1cccc(SC(=O)N(C)C)c1 ZINC000267608572 190341007 /nfs/dbraw/zinc/34/10/07/190341007.db2.gz GVXUXDDRRODGGC-UHFFFAOYSA-N 0 1 276.405 2.915 20 30 CFEDMN Cc1n[nH]cc1CN1CC=C(c2ccc(C#N)cc2)CC1 ZINC000335854828 380000219 /nfs/dbraw/zinc/00/02/19/380000219.db2.gz QNAGEXNDNOIKAF-UHFFFAOYSA-N 0 1 278.359 2.879 20 30 CFEDMN Cc1cscc1NC(=O)c1ccc(C#N)c(O)c1 ZINC000335880753 380044285 /nfs/dbraw/zinc/04/42/85/380044285.db2.gz POLSKHVMQCYIBO-UHFFFAOYSA-N 0 1 258.302 2.886 20 30 CFEDMN C=C1CCN(C(=O)c2sccc2CN(C)C)CC1 ZINC000268071395 190374620 /nfs/dbraw/zinc/37/46/20/190374620.db2.gz COLCBBDFSJMWTC-UHFFFAOYSA-N 0 1 264.394 2.602 20 30 CFEDMN N#Cc1ccc(CN2CCC[C@@H]2[C@@H]2CCCO2)c(F)c1 ZINC000335933776 380123986 /nfs/dbraw/zinc/12/39/86/380123986.db2.gz UNQDPMWTRYSITK-CVEARBPZSA-N 0 1 274.339 2.841 20 30 CFEDMN C=C[C@@H]1CCCCN1C(=O)c1cccc2[nH]cnc21 ZINC000336276990 380304866 /nfs/dbraw/zinc/30/48/66/380304866.db2.gz HPMHPPLBYZRWAD-LLVKDONJSA-N 0 1 255.321 2.744 20 30 CFEDMN CC#CCN1CC2(CCOCC2)[C@H]1c1ccccc1 ZINC000336279985 380307168 /nfs/dbraw/zinc/30/71/68/380307168.db2.gz KXQCPDBKUHWCTM-MRXNPFEDSA-N 0 1 255.361 2.863 20 30 CFEDMN C=C[C@H]1CCCCN1C(=O)c1ccc2cncn2c1 ZINC000336388516 380336382 /nfs/dbraw/zinc/33/63/82/380336382.db2.gz CCRUGNAFEFDRSP-ZDUSSCGKSA-N 0 1 255.321 2.515 20 30 CFEDMN Cn1nccc1[C@@H]1CCCN(Cc2cccc(C#N)c2F)C1 ZINC000336496774 380366315 /nfs/dbraw/zinc/36/63/15/380366315.db2.gz LMOPDKLUEVXELF-CQSZACIVSA-N 0 1 298.365 2.810 20 30 CFEDMN CCNC(=O)c1ccc(CNCc2cc(C#N)cs2)cc1 ZINC000177685449 380367937 /nfs/dbraw/zinc/36/79/37/380367937.db2.gz LNHHONBRPQUPGE-UHFFFAOYSA-N 0 1 299.399 2.659 20 30 CFEDMN CN(C)[C@H](CNCCC#N)c1cccc(C(F)(F)F)c1 ZINC000571993288 383745064 /nfs/dbraw/zinc/74/50/64/383745064.db2.gz CQVPBKADIPLRSG-CYBMUJFWSA-N 0 1 285.313 2.811 20 30 CFEDMN N#Cc1cc(F)ccc1CN1CCC[C@H]([C@@H]2CCOC2)C1 ZINC000336543279 380442892 /nfs/dbraw/zinc/44/28/92/380442892.db2.gz QKJVZYIQALQKLN-DZGCQCFKSA-N 0 1 288.366 2.946 20 30 CFEDMN N#Cc1cccc([C@@H]2CN(C3CCCC3)CCO2)c1 ZINC000336518316 380399502 /nfs/dbraw/zinc/39/95/02/380399502.db2.gz NKEOQVJFNWCJLH-INIZCTEOSA-N 0 1 256.349 2.874 20 30 CFEDMN C=CCCC[C@H](C)NC(=O)CN1CCC(C)CC1 ZINC000179778853 380579763 /nfs/dbraw/zinc/57/97/63/380579763.db2.gz CDUFTDGWIHHPKZ-AWEZNQCLSA-N 0 1 252.402 2.579 20 30 CFEDMN Cc1nc(N[C@@H]2CCN(C3CC3)C2)c(Cl)cc1C#N ZINC000336815696 380676437 /nfs/dbraw/zinc/67/64/37/380676437.db2.gz IRACMABHDXIGQS-LLVKDONJSA-N 0 1 276.771 2.564 20 30 CFEDMN COCC(C)(C)NCc1ccc(C#N)cc1Br ZINC000181074749 380734203 /nfs/dbraw/zinc/73/42/03/380734203.db2.gz HZPDZQWPCWCWOL-UHFFFAOYSA-N 0 1 297.196 2.835 20 30 CFEDMN CCN(CCC#N)C(=O)CN[C@H](C)c1cccc(Cl)c1 ZINC000181408988 380788448 /nfs/dbraw/zinc/78/84/48/380788448.db2.gz HWVXSWFOUHZLGP-GFCCVEGCSA-N 0 1 293.798 2.753 20 30 CFEDMN N#CCCCCN1CCO[C@H](Cc2ccccc2)C1 ZINC000181521371 380815106 /nfs/dbraw/zinc/81/51/06/380815106.db2.gz QVQWNCVYHXWNLK-MRXNPFEDSA-N 0 1 258.365 2.624 20 30 CFEDMN N#Cc1cccc(C2(NCc3cnn4ccccc34)CC2)c1 ZINC000341239672 380854338 /nfs/dbraw/zinc/85/43/38/380854338.db2.gz SVPGOZYKAUCFAB-UHFFFAOYSA-N 0 1 288.354 2.985 20 30 CFEDMN CC1(C)C[C@H](O)CCN(Cc2cn3ccccc3c2C#N)C1 ZINC000295445149 380860222 /nfs/dbraw/zinc/86/02/22/380860222.db2.gz KFGUXGBCPJQDEH-OAHLLOKOSA-N 0 1 297.402 2.794 20 30 CFEDMN C=CCOCCCn1[nH]c(C(C)(C)C)c(CCC#N)c1=O ZINC000358562539 380929832 /nfs/dbraw/zinc/92/98/32/380929832.db2.gz UKWMTQBXZWZZTB-UHFFFAOYSA-N 0 1 291.395 2.935 20 30 CFEDMN C=C[C@@H](CC(=O)NCc1n[nH]c(C2CC2)n1)c1ccccc1 ZINC000295492427 380893957 /nfs/dbraw/zinc/89/39/57/380893957.db2.gz RRUXYRCIGNYQIQ-LBPRGKRZSA-N 0 1 296.374 2.658 20 30 CFEDMN CC(C)(C)n1cc(CNCc2ccc(C#N)c(F)c2)cn1 ZINC000404768221 380905646 /nfs/dbraw/zinc/90/56/46/380905646.db2.gz UMCORIPYLIQTJN-UHFFFAOYSA-N 0 1 286.354 2.939 20 30 CFEDMN CCn1cc([C@H](C)NCc2ccc(C#N)c(F)c2)cn1 ZINC000404692206 380906456 /nfs/dbraw/zinc/90/64/56/380906456.db2.gz SUNUUOOHADDBFA-NSHDSACASA-N 0 1 272.327 2.765 20 30 CFEDMN N#Cc1cccc(CN2CC[C@H](Oc3ccncc3)C2)c1 ZINC000347122334 380954942 /nfs/dbraw/zinc/95/49/42/380954942.db2.gz MYPHLQYRLFTSMB-KRWDZBQOSA-N 0 1 279.343 2.607 20 30 CFEDMN C=C(CC)CN1CCN(Cc2csc(C)n2)CC1 ZINC000358624504 380976870 /nfs/dbraw/zinc/97/68/70/380976870.db2.gz LTKAHLBYVOUUFC-UHFFFAOYSA-N 0 1 265.426 2.535 20 30 CFEDMN C=CCCC1(C(=O)Nc2nc(-c3ccco3)n[nH]2)CC1 ZINC000411297003 381021414 /nfs/dbraw/zinc/02/14/14/381021414.db2.gz WTCGXEKNRSVDDS-UHFFFAOYSA-N 0 1 272.308 2.750 20 30 CFEDMN C[C@@H]1OCCN(CCC2(C#N)CCCCC2)[C@H]1C ZINC000411330732 381023374 /nfs/dbraw/zinc/02/33/74/381023374.db2.gz SWWMGIKTKKQVKE-KBPBESRZSA-N 0 1 250.386 2.960 20 30 CFEDMN C[C@H](CCC#N)N1CCC(c2noc(C3CC3)n2)CC1 ZINC000411554490 381032105 /nfs/dbraw/zinc/03/21/05/381032105.db2.gz QTQOHSHGVUSSOS-LLVKDONJSA-N 0 1 274.368 2.819 20 30 CFEDMN COc1cc(C#N)ccc1CN1CCC[C@@H]2COCC[C@H]21 ZINC000347250427 381028209 /nfs/dbraw/zinc/02/82/09/381028209.db2.gz NVOZRMGXIQVCDX-HZPDHXFCSA-N 0 1 286.375 2.568 20 30 CFEDMN C[C@H](C[S@](C)=O)N(C)CCC1(C#N)CCCCC1 ZINC000411511229 381030929 /nfs/dbraw/zinc/03/09/29/381030929.db2.gz IHEUGLICJHDVMM-ACJLOTCBSA-N 0 1 270.442 2.549 20 30 CFEDMN N#Cc1ccc(C[N@H+]2CC[C@]3(C2)CCCOC3)cc1F ZINC000368504203 381050719 /nfs/dbraw/zinc/05/07/19/381050719.db2.gz PHVRMUXDXNBLCP-INIZCTEOSA-N 0 1 274.339 2.700 20 30 CFEDMN N#Cc1ccc(CN2CC[C@H](Oc3ccncc3)C2)s1 ZINC000354032578 381033549 /nfs/dbraw/zinc/03/35/49/381033549.db2.gz CABTUHAMWAQRRJ-ZDUSSCGKSA-N 0 1 285.372 2.668 20 30 CFEDMN C[C@@H]1CCN(CC(=O)NCc2cccc(C#N)c2)CC1(C)C ZINC000354032377 381033840 /nfs/dbraw/zinc/03/38/40/381033840.db2.gz ZEUISKAHOXYPSA-CQSZACIVSA-N 0 1 299.418 2.542 20 30 CFEDMN CC(C)[C@@](C)(C#N)NC(=O)[C@@H](C)N1CC[C@H](C)C(C)(C)C1 ZINC000354042429 381040425 /nfs/dbraw/zinc/04/04/25/381040425.db2.gz NDTNQAVKRBCBQB-JJRVBVJISA-N 0 1 293.455 2.797 20 30 CFEDMN CO[C@@H]1CCN(CC#Cc2ccc(F)cc2)CC1(C)C ZINC000295903658 381146555 /nfs/dbraw/zinc/14/65/55/381146555.db2.gz HCGQBSUBHMKZSP-MRXNPFEDSA-N 0 1 275.367 2.924 20 30 CFEDMN C=C[C@@H](CO)N[C@@H](C)c1ccc(F)cc1OC(F)F ZINC000289770067 381147068 /nfs/dbraw/zinc/14/70/68/381147068.db2.gz MDGDXEOXEMWRBV-WPRPVWTQSA-N 0 1 275.270 2.625 20 30 CFEDMN C[S@@](=O)C[C@H](NCc1cccc(C#N)c1)c1ccccc1 ZINC000183074877 381210790 /nfs/dbraw/zinc/21/07/90/381210790.db2.gz QCVZFYUKNQLXSG-LAUBAEHRSA-N 0 1 298.411 2.768 20 30 CFEDMN N#Cc1ccccc1CN1CCCO[C@H]2CCC[C@@H]21 ZINC000369455924 381262581 /nfs/dbraw/zinc/26/25/81/381262581.db2.gz DVHJRIJAHADENB-HOTGVXAUSA-N 0 1 256.349 2.702 20 30 CFEDMN N#CC(C(=O)c1ccc(Cl)s1)c1ccncn1 ZINC000354457084 381282858 /nfs/dbraw/zinc/28/28/58/381282858.db2.gz CJJXSWXUSPKKBU-SSDOTTSWSA-N 0 1 263.709 2.682 20 30 CFEDMN CCc1ccccc1NC(=O)C[C@H](C)NC[C@H](C)C#N ZINC000183836182 381328138 /nfs/dbraw/zinc/32/81/38/381328138.db2.gz YLBZGFGQXRRCGN-OLZOCXBDSA-N 0 1 273.380 2.715 20 30 CFEDMN CC#CCCN1CCOC[C@@H]1Cc1c[nH]c2ccccc12 ZINC000369706967 381317352 /nfs/dbraw/zinc/31/73/52/381317352.db2.gz OMWMJHFHVUHTRZ-INIZCTEOSA-N 0 1 282.387 2.825 20 30 CFEDMN C=CCC[C@H](O)CNC(C)(C)c1ncc(C)s1 ZINC000183980684 381350237 /nfs/dbraw/zinc/35/02/37/381350237.db2.gz WUFLAXJICPOMLZ-NSHDSACASA-N 0 1 254.399 2.603 20 30 CFEDMN Cc1n[nH]c(C)c1[C@H]1CCCN1Cc1cc(C#N)n(C)c1 ZINC000290384251 381405874 /nfs/dbraw/zinc/40/58/74/381405874.db2.gz IIKMYOBFOQSPPP-OAHLLOKOSA-N 0 1 283.379 2.574 20 30 CFEDMN CC(=O)c1ccc(C#N)c(N[C@H]2CCCN(C)[C@@H]2C)c1 ZINC000347874413 381393916 /nfs/dbraw/zinc/39/39/16/381393916.db2.gz JBXODNSDBVCXAC-ABAIWWIYSA-N 0 1 271.364 2.655 20 30 CFEDMN COc1cc(CNc2cc3c(cn2)CCCC3)ccc1C#N ZINC000359469788 381425621 /nfs/dbraw/zinc/42/56/21/381425621.db2.gz HFNDZUMCKNPKTI-UHFFFAOYSA-N 0 1 293.370 2.875 20 30 CFEDMN C=CCC[C@H](O)CN[C@H](C)c1csc(CC)n1 ZINC000184746912 381473653 /nfs/dbraw/zinc/47/36/53/381473653.db2.gz APWLSGOXMDOECG-MNOVXSKESA-N 0 1 254.399 2.683 20 30 CFEDMN C[C@@H]1CN(Cc2ccc(CC#N)cc2)C[C@H](C2CC2)O1 ZINC000348250199 381476931 /nfs/dbraw/zinc/47/69/31/381476931.db2.gz XVSJOZPJCIVCGU-CXAGYDPISA-N 0 1 270.376 2.752 20 30 CFEDMN CCN(CCC(=O)N1CCCc2ccccc21)C[C@H](C)C#N ZINC000348267863 381477529 /nfs/dbraw/zinc/47/75/29/381477529.db2.gz ADAXHSULGWNKHQ-OAHLLOKOSA-N 0 1 299.418 2.837 20 30 CFEDMN C=CCCN(C)CC(=O)N1c2ccccc2CC[C@@H]1C ZINC000342740748 381511252 /nfs/dbraw/zinc/51/12/52/381511252.db2.gz WTRUTSPUCZXPOB-AWEZNQCLSA-N 0 1 272.392 2.862 20 30 CFEDMN C#CCC(C)(C)C(=O)N1CCCN(Cc2ccccc2)CC1 ZINC000185031629 381518658 /nfs/dbraw/zinc/51/86/58/381518658.db2.gz AFEHLAKSGWEDSU-UHFFFAOYSA-N 0 1 298.430 2.770 20 30 CFEDMN N#CC(C(=O)c1csc(Cl)c1)c1ccncn1 ZINC000342701476 381487607 /nfs/dbraw/zinc/48/76/07/381487607.db2.gz NDXGTNAAMLUBOH-QMMMGPOBSA-N 0 1 263.709 2.682 20 30 CFEDMN N#C[C@H](c1cccc(Cl)c1)N1CCN(CCCF)CC1 ZINC000348314140 381500822 /nfs/dbraw/zinc/50/08/22/381500822.db2.gz HEFSAHVFOFNOHG-OAHLLOKOSA-N 0 1 295.789 2.882 20 30 CFEDMN CCc1nccc([C@@H]2CCCN(CCCC#N)C2)n1 ZINC000370740918 381502201 /nfs/dbraw/zinc/50/22/01/381502201.db2.gz PRCUUBZCTVJXGE-CYBMUJFWSA-N 0 1 258.369 2.522 20 30 CFEDMN CCOc1ccc(C#N)cc1NCc1[nH]ncc1C ZINC000290779821 381547927 /nfs/dbraw/zinc/54/79/27/381547927.db2.gz CDIPZUFTOLJERV-UHFFFAOYSA-N 0 1 256.309 2.601 20 30 CFEDMN C#CCC(C)(C)C(=O)N[C@H]1CCCN(Cc2ccccc2)C1 ZINC000185053457 381524785 /nfs/dbraw/zinc/52/47/85/381524785.db2.gz NPGXPMDZEHULSI-KRWDZBQOSA-N 0 1 298.430 2.817 20 30 CFEDMN N#Cc1ccc(Cl)cc1N1CCC[C@H](c2nc[nH]n2)C1 ZINC000371271194 381580516 /nfs/dbraw/zinc/58/05/16/381580516.db2.gz NNIBFWGATCGCPG-NSHDSACASA-N 0 1 287.754 2.714 20 30 CFEDMN CCN(CCC1CC1)CC(=O)Nc1sccc1C#N ZINC000355051909 381584618 /nfs/dbraw/zinc/58/46/18/381584618.db2.gz HIXMDYFDDYUGRD-UHFFFAOYSA-N 0 1 277.393 2.680 20 30 CFEDMN CCc1c(C(=O)[C@@H](C#N)c2nc(C)cs2)ccn1C ZINC000355113669 381620787 /nfs/dbraw/zinc/62/07/87/381620787.db2.gz CEPAXUWMYSMLLI-LLVKDONJSA-N 0 1 273.361 2.843 20 30 CFEDMN CCc1c(C(=O)C(C#N)c2nc(C)cs2)ccn1C ZINC000355113669 381620795 /nfs/dbraw/zinc/62/07/95/381620795.db2.gz CEPAXUWMYSMLLI-LLVKDONJSA-N 0 1 273.361 2.843 20 30 CFEDMN OC[C@]1(c2ccccc2)CCN(CC#Cc2ccccc2)C1 ZINC000291150372 381685203 /nfs/dbraw/zinc/68/52/03/381685203.db2.gz AHHUJFGGSBVIRX-FQEVSTJZSA-N 0 1 291.394 2.674 20 30 CFEDMN C[C@H]1CCCCN1C(=O)CNC1(c2cccc(C#N)c2)CC1 ZINC000298701769 381717280 /nfs/dbraw/zinc/71/72/80/381717280.db2.gz AJEQOAKYKYIPKR-AWEZNQCLSA-N 0 1 297.402 2.538 20 30 CFEDMN C=CCN(CC=C)C(=O)NC[C@@H](c1cccs1)N(C)C ZINC000298675695 381706604 /nfs/dbraw/zinc/70/66/04/381706604.db2.gz VOIHHRDGECKBQD-ZDUSSCGKSA-N 0 1 293.436 2.734 20 30 CFEDMN C[C@@H]1[C@@H](Nc2ncc(C#N)cc2Cl)CCCN1C ZINC000343483952 381744418 /nfs/dbraw/zinc/74/44/18/381744418.db2.gz VGXSJXSEIDFKSX-SKDRFNHKSA-N 0 1 264.760 2.501 20 30 CFEDMN COC[C@@H]1CCCCN(Cc2cc(F)ccc2C#N)C1 ZINC000372090125 381750986 /nfs/dbraw/zinc/75/09/86/381750986.db2.gz ZHFFYPYZFAWEFE-CYBMUJFWSA-N 0 1 276.355 2.946 20 30 CFEDMN CC#CCCCC(=O)N[C@@H]1C[C@H](C)[N@@H+](Cc2ccccc2)C1 ZINC000185838271 381751069 /nfs/dbraw/zinc/75/10/69/381751069.db2.gz SHEXYVHTYHWLCX-FUHWJXTLSA-N 0 1 298.430 2.959 20 30 CFEDMN CC(C)N(Cc1cn2ccccc2c1C#N)[C@@H]1CCOC1 ZINC000291948611 381785962 /nfs/dbraw/zinc/78/59/62/381785962.db2.gz UMLPHUHQQFWUGP-OAHLLOKOSA-N 0 1 283.375 2.810 20 30 CFEDMN COc1ccc([N+](=O)[O-])cc1CN[C@@H]1CCC[C@H](C#N)C1 ZINC000185897113 381771311 /nfs/dbraw/zinc/77/13/11/381771311.db2.gz ZAZVPKDYAGKGAF-WCQYABFASA-N 0 1 289.335 2.775 20 30 CFEDMN N#Cc1ccc(C(=O)Nc2ccccc2-c2nnc[nH]2)s1 ZINC000356201642 381829743 /nfs/dbraw/zinc/82/97/43/381829743.db2.gz FAQXRKOZGLAZJY-UHFFFAOYSA-N 0 1 295.327 2.657 20 30 CFEDMN CN(Cc1ccc(C#N)cc1C(F)(F)F)[C@@H]1CCOC1 ZINC000356233788 381835045 /nfs/dbraw/zinc/83/50/45/381835045.db2.gz SHQAZEFQELJUDP-GFCCVEGCSA-N 0 1 284.281 2.798 20 30 CFEDMN C=CCN1CC[C@@H](N(C)Cc2coc3ccccc23)C1=O ZINC000343610473 381838798 /nfs/dbraw/zinc/83/87/98/381838798.db2.gz KDSWNBIWBAQJKZ-OAHLLOKOSA-N 0 1 284.359 2.652 20 30 CFEDMN C[C@H](NCC1(C#N)CC1)c1ccccc1-n1cccn1 ZINC000343581661 381813667 /nfs/dbraw/zinc/81/36/67/381813667.db2.gz MZINDCKXIBOIHO-ZDUSSCGKSA-N 0 1 266.348 2.827 20 30 CFEDMN COc1cc(C#N)ccc1CN1CCC(c2c[nH]cn2)CC1 ZINC000372449984 381818084 /nfs/dbraw/zinc/81/80/84/381818084.db2.gz OIZXEOLEBDXTTQ-UHFFFAOYSA-N 0 1 296.374 2.670 20 30 CFEDMN C#CCCCC(=O)N1CCC[N@H+](Cc2ccccc2C)CC1 ZINC000372895845 381887174 /nfs/dbraw/zinc/88/71/74/381887174.db2.gz QMVOPWYYSFAJIO-UHFFFAOYSA-N 0 1 298.430 2.833 20 30 CFEDMN CCN(CC#Cc1ccccc1Cl)[C@H]1CCOC1 ZINC000361586217 381847720 /nfs/dbraw/zinc/84/77/20/381847720.db2.gz GUYCXRWEMAQOQG-AWEZNQCLSA-N 0 1 263.768 2.802 20 30 CFEDMN C=CCN(CC=C)C(=O)[C@H](C)N1CCc2cc(C)ccc2C1 ZINC000361849859 381867486 /nfs/dbraw/zinc/86/74/86/381867486.db2.gz OAMYUVLYOOVWJI-INIZCTEOSA-N 0 1 298.430 2.942 20 30 CFEDMN OCC[C@@H](NCC#Cc1ccccc1)c1ccccc1 ZINC000361866632 381869494 /nfs/dbraw/zinc/86/94/94/381869494.db2.gz BHOAFKQAALSFGL-GOSISDBHSA-N 0 1 265.356 2.751 20 30 CFEDMN Cc1ncccc1O[C@H]1CC[N@@H+](Cc2ccc(C#N)cc2)C1 ZINC000372814029 381873150 /nfs/dbraw/zinc/87/31/50/381873150.db2.gz IHJIJNRCUXZNRG-KRWDZBQOSA-N 0 1 293.370 2.915 20 30 CFEDMN C=CCOCCN(C)[C@@H](C)c1ccc([S@@](C)=O)cc1 ZINC000292923915 381904579 /nfs/dbraw/zinc/90/45/79/381904579.db2.gz YGMOZCNVVQGPMH-ORAYPTAESA-N 0 1 281.421 2.619 20 30 CFEDMN N#CC1(NC(=O)CN2CCCC3(CCC3)C2)CCCCC1 ZINC000373403595 381996921 /nfs/dbraw/zinc/99/69/21/381996921.db2.gz IKBUCRWTPQDLPH-UHFFFAOYSA-N 0 1 289.423 2.595 20 30 CFEDMN CC(C)[C@@H]1CN(Cc2ccc(F)c(C#N)c2)CCCO1 ZINC000293084214 381983113 /nfs/dbraw/zinc/98/31/13/381983113.db2.gz JWZXBMNBVZJWKB-INIZCTEOSA-N 0 1 276.355 2.944 20 30 CFEDMN CC[C@@H](NCc1cccc(F)c1C#N)[C@H]1CCCO1 ZINC000362286286 381991642 /nfs/dbraw/zinc/99/16/42/381991642.db2.gz RCQJPRATTQXTQR-HUUCEWRRSA-N 0 1 262.328 2.745 20 30 CFEDMN CC#CCN(C)Cc1cc(=O)oc2cc(C)c(C)cc12 ZINC000293250766 382048084 /nfs/dbraw/zinc/04/80/84/382048084.db2.gz TYOHTJSTPMIACA-UHFFFAOYSA-N 0 1 269.344 2.865 20 30 CFEDMN C[C@H]1CN(CC(=O)Nc2cccc(C#N)c2)CC(C)(C)C1 ZINC000344015992 382070520 /nfs/dbraw/zinc/07/05/20/382070520.db2.gz DQDJNKDTEPQDJQ-CYBMUJFWSA-N 0 1 285.391 2.865 20 30 CFEDMN C#C[C@@H](NCc1ccc(Br)cn1)C(C)C ZINC000300930670 382067122 /nfs/dbraw/zinc/06/71/22/382067122.db2.gz NSUYMOMXYUGHOS-GFCCVEGCSA-N 0 1 267.170 2.592 20 30 CFEDMN C=C(C)CN(C)CC(=O)N[C@@H](C)c1ccc(F)cc1 ZINC000351067497 382023310 /nfs/dbraw/zinc/02/33/10/382023310.db2.gz VWILJTHHFFTXPF-LBPRGKRZSA-N 0 1 264.344 2.511 20 30 CFEDMN C=C[C@@H](C)NC(=O)NC[C@@H](c1ccc(C)o1)N1CCCC1 ZINC000362381355 382037926 /nfs/dbraw/zinc/03/79/26/382037926.db2.gz XHXIIIOCEZQZKF-OCCSQVGLSA-N 0 1 291.395 2.599 20 30 CFEDMN CN(CCOCc1ccc(C#N)cc1)CCC(F)(F)F ZINC000344100437 382127676 /nfs/dbraw/zinc/12/76/76/382127676.db2.gz CDWGBSOQDRVFSU-UHFFFAOYSA-N 0 1 286.297 2.959 20 30 CFEDMN Cc1ccc(CN(C)CCOCc2ccc(C#N)cc2)nc1 ZINC000344066866 382104012 /nfs/dbraw/zinc/10/40/12/382104012.db2.gz HXHUXMZXMMAQFL-UHFFFAOYSA-N 0 1 295.386 2.910 20 30 CFEDMN C[C@@H]1CN(C(C)(C)CNc2ccc(C#N)cc2)C[C@H](C)O1 ZINC000301077892 382075488 /nfs/dbraw/zinc/07/54/88/382075488.db2.gz LACXERXKYWXBIK-OKILXGFUSA-N 0 1 287.407 2.858 20 30 CFEDMN N#Cc1ccc(N2CCN(Cc3cccs3)CC2)cc1 ZINC000301078641 382076301 /nfs/dbraw/zinc/07/63/01/382076301.db2.gz IDKWDGPLLUMFMI-UHFFFAOYSA-N 0 1 283.400 2.942 20 30 CFEDMN Cc1n[nH]cc1C1CCN(CC#Cc2ccccc2)CC1 ZINC000375392475 382084124 /nfs/dbraw/zinc/08/41/24/382084124.db2.gz WUVJOSZTMOXVCV-UHFFFAOYSA-N 0 1 279.387 2.949 20 30 CFEDMN N#Cc1cc(Cl)ccc1CN(CCCCO)C1CC1 ZINC000187074930 382093765 /nfs/dbraw/zinc/09/37/65/382093765.db2.gz LGHFNBVUCATGRJ-UHFFFAOYSA-N 0 1 278.783 2.949 20 30 CFEDMN CC[C@@]1(CO)CCCN(Cc2cc(C#N)ccc2OC)C1 ZINC000187620853 382228573 /nfs/dbraw/zinc/22/85/73/382228573.db2.gz DFGPONOBYHCDIN-QGZVFWFLSA-N 0 1 288.391 2.551 20 30 CFEDMN C=C(C)CN1Cc2ccccc2[C@@H](n2cccn2)C1 ZINC000363546682 382238109 /nfs/dbraw/zinc/23/81/09/382238109.db2.gz UFAQYQRWBLPXBI-INIZCTEOSA-N 0 1 253.349 2.864 20 30 CFEDMN C[C@H](O)CCCn1[nH]c(C(C)(C)C)c(CCC#N)c1=O ZINC000418893889 382188590 /nfs/dbraw/zinc/18/85/90/382188590.db2.gz AKTKLXKGKVTDIQ-NSHDSACASA-N 0 1 279.384 2.503 20 30 CFEDMN C=C(C)CCN[C@H](C(N)=O)c1cccc(Br)c1 ZINC000419218741 382247866 /nfs/dbraw/zinc/24/78/66/382247866.db2.gz GHJWIUVOMLYQDD-LBPRGKRZSA-N 0 1 297.196 2.531 20 30 CFEDMN C=C[C@H](CO)NCc1ccc(-c2ccccc2)cc1OC ZINC000352453295 382341914 /nfs/dbraw/zinc/34/19/14/382341914.db2.gz LPHYOXQSVZZQPZ-QGZVFWFLSA-N 0 1 283.371 2.999 20 30 CFEDMN Cn1cncc1CNCc1ccc(C#N)cc1C(F)(F)F ZINC000352480062 382355734 /nfs/dbraw/zinc/35/57/34/382355734.db2.gz HTVDRKUCLHMDMD-UHFFFAOYSA-N 0 1 294.280 2.600 20 30 CFEDMN N#CC1(F)CCN(Cc2ccc(-n3cccn3)cc2)CC1 ZINC000352484095 382357727 /nfs/dbraw/zinc/35/77/27/382357727.db2.gz LIBRVQVEAFTBEX-UHFFFAOYSA-N 0 1 284.338 2.700 20 30 CFEDMN COC(=O)[C@H]1C[N@H+]([C@H](C)c2ccc(C#N)cc2)CC1(C)C ZINC000377995127 382382139 /nfs/dbraw/zinc/38/21/39/382382139.db2.gz LGFXNOHUXQHIEI-IUODEOHRSA-N 0 1 286.375 2.750 20 30 CFEDMN COC[C@@]1(C)CCN(Cc2cc(C#N)ccc2F)C1 ZINC000294151563 382436130 /nfs/dbraw/zinc/43/61/30/382436130.db2.gz HNIHNOLHVBHQOC-HNNXBMFYSA-N 0 1 262.328 2.556 20 30 CFEDMN N#Cc1ccc(C(=O)Nc2ccc3c(c2)CCCO3)cc1O ZINC000188414126 382409825 /nfs/dbraw/zinc/40/98/25/382409825.db2.gz SGPWJJKYWAIBAI-UHFFFAOYSA-N 0 1 294.310 2.841 20 30 CFEDMN C=CCC[C@H](O)CN[C@@H](C)c1c(F)cccc1OC ZINC000305789890 382446959 /nfs/dbraw/zinc/44/69/59/382446959.db2.gz ZQVPUXKXQKWDLM-RYUDHWBXSA-N 0 1 267.344 2.812 20 30 CFEDMN Cc1ccccc1O[C@H](C)CNCc1nc(C#N)cs1 ZINC000352804305 382475513 /nfs/dbraw/zinc/47/55/13/382475513.db2.gz WKYNUFXUOJYIQO-GFCCVEGCSA-N 0 1 287.388 2.880 20 30 CFEDMN C=CCCC[C@H](C)N1C[C@@H](CC)[S@](=O)[C@@H](C)C1 ZINC000352892771 382480948 /nfs/dbraw/zinc/48/09/48/382480948.db2.gz KUPGVQKVUKKRAC-SZOQZIPDSA-N 0 1 257.443 2.963 20 30 CFEDMN C=CCCCCCN1C[C@H](C)[S@@](=O)[C@@H](CC)C1 ZINC000352902059 382481076 /nfs/dbraw/zinc/48/10/76/382481076.db2.gz ZHPAWJGOCQGHJD-GRDNDAEWSA-N 0 1 257.443 2.964 20 30 CFEDMN C=CCOc1ccc(CNCc2cnc(C)nc2)cc1 ZINC000352895564 382481277 /nfs/dbraw/zinc/48/12/77/382481277.db2.gz DANFPFGYTSDHQY-UHFFFAOYSA-N 0 1 269.348 2.640 20 30 CFEDMN C=CCCN(C)C(=O)[C@@H]1CCc2[nH]c(C(C)C)nc2C1 ZINC000346819089 382528239 /nfs/dbraw/zinc/52/82/39/382528239.db2.gz DSOARVVEGICIEI-GFCCVEGCSA-N 0 1 275.396 2.673 20 30 CFEDMN C=CCC[C@@H](C(=O)Nc1nnc(C)[nH]1)c1ccccc1 ZINC000189124938 382549129 /nfs/dbraw/zinc/54/91/29/382549129.db2.gz WMQJIPCPCPDEKW-CYBMUJFWSA-N 0 1 270.336 2.802 20 30 CFEDMN CC[C@@H]1C[C@H]1NC([O-])=[NH+][C@H]1CCc2cnn(C(C)C)c2C1 ZINC000328601514 382553472 /nfs/dbraw/zinc/55/34/72/382553472.db2.gz FPGWDNGQRGODPS-KWCYVHTRSA-N 0 1 290.411 2.623 20 30 CFEDMN CC[C@@H]1C[C@H]1[NH+]=C([O-])N[C@H]1CCc2cnn(C(C)C)c2C1 ZINC000328601514 382553480 /nfs/dbraw/zinc/55/34/80/382553480.db2.gz FPGWDNGQRGODPS-KWCYVHTRSA-N 0 1 290.411 2.623 20 30 CFEDMN CC[C@@H]1C[C@H]1NC([O-])=[NH+][C@@H]1CCc2cnn(C(C)C)c2C1 ZINC000328601515 382553625 /nfs/dbraw/zinc/55/36/25/382553625.db2.gz FPGWDNGQRGODPS-MRVWCRGKSA-N 0 1 290.411 2.623 20 30 CFEDMN CC[C@@H]1C[C@H]1[NH+]=C([O-])N[C@@H]1CCc2cnn(C(C)C)c2C1 ZINC000328601515 382553635 /nfs/dbraw/zinc/55/36/35/382553635.db2.gz FPGWDNGQRGODPS-MRVWCRGKSA-N 0 1 290.411 2.623 20 30 CFEDMN Cc1ccccc1[C@H](C)N(C)CC(=O)NC1(C#N)CCC1 ZINC000346833955 382534502 /nfs/dbraw/zinc/53/45/02/382534502.db2.gz XSUKFQGAVOTFSK-AWEZNQCLSA-N 0 1 285.391 2.550 20 30 CFEDMN C=CCC(F)(F)C(=O)Nc1ncc(C(F)(F)F)[nH]1 ZINC000294873576 382536740 /nfs/dbraw/zinc/53/67/40/382536740.db2.gz HSMUZSIDRNRCHZ-UHFFFAOYSA-N 0 1 269.173 2.578 20 30 CFEDMN CO[C@H]1CN(Cc2ccc(F)c(C#N)c2)CC[C@H]1C ZINC000189269056 382579029 /nfs/dbraw/zinc/57/90/29/382579029.db2.gz YTADVOAWIBKGLS-ABAIWWIYSA-N 0 1 262.328 2.554 20 30 CFEDMN C[C@H](c1cccc(C#N)c1)N(CCO)Cc1cccnc1 ZINC000189925604 382645309 /nfs/dbraw/zinc/64/53/09/382645309.db2.gz ZGGLNRFEMWRSSV-CQSZACIVSA-N 0 1 281.359 2.509 20 30 CFEDMN C=CCC[C@@H](O)C[N@H+]1CC2(CCCC2)OC(C)(C)C1 ZINC000190978283 382687185 /nfs/dbraw/zinc/68/71/85/382687185.db2.gz ITKSZJJNKJUTMN-CQSZACIVSA-N 0 1 267.413 2.737 20 30 CFEDMN Cn1cc(CN[C@@H](c2ccccc2)[C@H]2CCCO2)cc1C#N ZINC000190900369 382684356 /nfs/dbraw/zinc/68/43/56/382684356.db2.gz OMJICHDJELPZSD-MSOLQXFVSA-N 0 1 295.386 2.907 20 30 CFEDMN Cn1cc([C@@H]2CSCCN2CCCC(C)(C)C#N)cn1 ZINC000191191810 382694861 /nfs/dbraw/zinc/69/48/61/382694861.db2.gz JWURNVNLTHOJLN-AWEZNQCLSA-N 0 1 292.452 2.840 20 30 CFEDMN CO[C@@]1(C)C[C@@H]([N@@H+](C)Cc2cc(C#N)n(C)c2)C1(C)C ZINC000191434685 382700413 /nfs/dbraw/zinc/70/04/13/382700413.db2.gz POGHMMLOVIDMAI-ZBFHGGJFSA-N 0 1 275.396 2.532 20 30 CFEDMN CC#CCN1CCC(C(=O)c2ccc(F)cc2)CC1 ZINC000192464364 382709234 /nfs/dbraw/zinc/70/92/34/382709234.db2.gz MXWBFTBUMCXQEW-UHFFFAOYSA-N 0 1 259.324 2.744 20 30 CFEDMN CC(C)(C)[C@@H](CO)NCc1ccc(Cl)cc1C#N ZINC000193106486 382715752 /nfs/dbraw/zinc/71/57/52/382715752.db2.gz LJJZTBLVGDPZDS-CYBMUJFWSA-N 0 1 266.772 2.708 20 30 CFEDMN C=CCN(CC=C)C(=O)[C@@H](c1ccccc1)N(C)CC ZINC000193121819 382716110 /nfs/dbraw/zinc/71/61/10/382716110.db2.gz SXUQWRPGYREMKJ-MRXNPFEDSA-N 0 1 272.392 2.880 20 30 CFEDMN C=CCN1CC[C@H](N(Cc2ccc(F)cc2)C(C)C)C1=O ZINC000337132965 382765537 /nfs/dbraw/zinc/76/55/37/382765537.db2.gz KPAYBKLHQCILET-INIZCTEOSA-N 0 1 290.382 2.823 20 30 CFEDMN C=C[C@H](CC(=O)NC1(c2nnc[nH]2)CCC1)c1ccccc1 ZINC000194288894 382739605 /nfs/dbraw/zinc/73/96/05/382739605.db2.gz MUMIQRFFVJQQHS-CYBMUJFWSA-N 0 1 296.374 2.660 20 30 CFEDMN C[C@H](N[C@H]1CCN(C(C)(C)C)C1=O)c1cccc(C#N)c1 ZINC000575741378 382797277 /nfs/dbraw/zinc/79/72/77/382797277.db2.gz YKOLZUXWSGYAFL-WFASDCNBSA-N 0 1 285.391 2.608 20 30 CFEDMN Cc1cccc(OCCN(C)Cc2ccc(C#N)cn2)c1 ZINC000575973904 382805586 /nfs/dbraw/zinc/80/55/86/382805586.db2.gz IHAKRSFFSRZBFV-UHFFFAOYSA-N 0 1 281.359 2.773 20 30 CFEDMN N#CC1(CN[C@]2(Cc3ccc(Cl)cc3)CCOC2)CC1 ZINC000337442493 382821594 /nfs/dbraw/zinc/82/15/94/382821594.db2.gz YVYDLJDMYOBULI-INIZCTEOSA-N 0 1 290.794 2.935 20 30 CFEDMN C=C(C)CN(C)CC(=O)N(C)[C@@H](C)c1ccccc1 ZINC000337476666 382827886 /nfs/dbraw/zinc/82/78/86/382827886.db2.gz YSZSDTZWGRJNME-AWEZNQCLSA-N 0 1 260.381 2.714 20 30 CFEDMN N#Cc1ccc(CN2CC[C@@H](Nc3ccccc3)C2)nc1 ZINC000576893594 382840838 /nfs/dbraw/zinc/84/08/38/382840838.db2.gz VPZZIYDBOYCBJU-QGZVFWFLSA-N 0 1 278.359 2.640 20 30 CFEDMN C=CCOc1ccccc1CN[C@@H](C)c1cn[nH]c1 ZINC000229635628 382853099 /nfs/dbraw/zinc/85/30/99/382853099.db2.gz OFLBCFVYRQHPPV-LBPRGKRZSA-N 0 1 257.337 2.825 20 30 CFEDMN N#Cc1cccc(Cc2nc(C3(N)CCCCC3)no2)c1 ZINC000577483404 382860542 /nfs/dbraw/zinc/86/05/42/382860542.db2.gz MJOIJSJLFHCHJB-UHFFFAOYSA-N 0 1 282.347 2.650 20 30 CFEDMN CC(C)(NCc1ccc(C#N)cn1)c1ccccc1 ZINC000577527210 382862249 /nfs/dbraw/zinc/86/22/49/382862249.db2.gz RIEWBOVDANLHBQ-UHFFFAOYSA-N 0 1 251.333 2.978 20 30 CFEDMN CCC[C@@H](C)N(C)Cc1cccc(C(=O)OC)c1C#N ZINC000535228188 382953828 /nfs/dbraw/zinc/95/38/28/382953828.db2.gz YUMGOXYWKJVHMW-GFCCVEGCSA-N 0 1 274.364 2.965 20 30 CFEDMN CCCN(CC)Cc1cccc(C(=O)OC)c1C#N ZINC000535226060 382953907 /nfs/dbraw/zinc/95/39/07/382953907.db2.gz NOWLVPCVMJSTPZ-UHFFFAOYSA-N 0 1 260.337 2.577 20 30 CFEDMN N#CCCCCN1CCN(Cc2ccsc2)CC1 ZINC000536014995 382955967 /nfs/dbraw/zinc/95/59/67/382955967.db2.gz MRFIRYWNJBDJLY-UHFFFAOYSA-N 0 1 263.410 2.560 20 30 CFEDMN C=CCN(CC=C)CCCn1c(=O)[nH]c2ccccc21 ZINC000537520554 382957526 /nfs/dbraw/zinc/95/75/26/382957526.db2.gz YHXSGXZWGXXQSP-UHFFFAOYSA-N 0 1 271.364 2.806 20 30 CFEDMN Cc1ccccc1CNC(=O)[C@H](C)N1CCC(CC#N)CC1 ZINC000541019223 382964786 /nfs/dbraw/zinc/96/47/86/382964786.db2.gz CLRSWXZSCDUXCM-HNNXBMFYSA-N 0 1 299.418 2.625 20 30 CFEDMN N#C[C@@H]1CC[C@H](NCc2cccnc2OCC(F)F)C1 ZINC000442820972 382959253 /nfs/dbraw/zinc/95/92/53/382959253.db2.gz CPUVDSVNWNZRBR-PWSUYJOCSA-N 0 1 281.306 2.507 20 30 CFEDMN C[C@@H](C#N)CN(Cc1ccc2nc[nH]c2c1)C1CC1 ZINC000538762380 382959985 /nfs/dbraw/zinc/95/99/85/382959985.db2.gz NAMOJRPQJHSDNW-NSHDSACASA-N 0 1 254.337 2.687 20 30 CFEDMN CC[C@]1(C)CN(Cc2ccc(CC#N)cc2)CCO1 ZINC000442880805 382963211 /nfs/dbraw/zinc/96/32/11/382963211.db2.gz FULZFPHBMZQDAP-MRXNPFEDSA-N 0 1 258.365 2.754 20 30 CFEDMN N#Cc1ccc(CNC2(C(=O)Nc3ccccc3)CC2)cc1 ZINC000495158407 382965253 /nfs/dbraw/zinc/96/52/53/382965253.db2.gz MPWREXMJNSIZTA-UHFFFAOYSA-N 0 1 291.354 2.819 20 30 CFEDMN C=C1CCN(C[C@@H]2CN(c3ccccc3)CCO2)CC1 ZINC000578999770 382973522 /nfs/dbraw/zinc/97/35/22/382973522.db2.gz DZUKNOSASREYBB-QGZVFWFLSA-N 0 1 272.392 2.544 20 30 CFEDMN C[C@@H]1CCN(CC(=O)NC2(C#N)CCCCC2)CC1(C)C ZINC000544784539 382975869 /nfs/dbraw/zinc/97/58/69/382975869.db2.gz CDLIMZQQZIHJMY-CQSZACIVSA-N 0 1 291.439 2.697 20 30 CFEDMN CC(C)[C@@H]1CCC[N@H+]([C@@H](C)C(=O)N[C@@](C)(C#N)C(C)C)C1 ZINC000444754552 382979841 /nfs/dbraw/zinc/97/98/41/382979841.db2.gz TWXOLPRLPQEAPA-UXLLHSPISA-N 0 1 293.455 2.797 20 30 CFEDMN CCC1(CC)CCN(CC(=O)N[C@](C)(C#N)C(C)C)C1 ZINC000446719418 382990929 /nfs/dbraw/zinc/99/09/29/382990929.db2.gz OJRUSPYHHNRUPS-OAHLLOKOSA-N 0 1 279.428 2.553 20 30 CFEDMN CC(C)(C)[C@H]1CN(Cc2ccc(CC#N)cc2)CCO1 ZINC000447844056 383017841 /nfs/dbraw/zinc/01/78/41/383017841.db2.gz KHANFMRPKCRYKO-MRXNPFEDSA-N 0 1 272.392 3.000 20 30 CFEDMN N#Cc1ccc(Cl)cc1NCCN1CC=CCC1 ZINC000338713607 383029336 /nfs/dbraw/zinc/02/93/36/383029336.db2.gz RZNMWAKCUYHMSU-UHFFFAOYSA-N 0 1 261.756 2.885 20 30 CFEDMN CCCC[C@@H](CNC(=O)OC(C)(C)C)NCCC#N ZINC000496173821 383071620 /nfs/dbraw/zinc/07/16/20/383071620.db2.gz PJVMVOHBHZFNDO-LBPRGKRZSA-N 0 1 269.389 2.573 20 30 CFEDMN COC(=O)c1cccc(CN2CC[C@H](CC3CC3)C2)c1C#N ZINC000550048614 383019046 /nfs/dbraw/zinc/01/90/46/383019046.db2.gz GSDVVGWAZBKWEM-CQSZACIVSA-N 0 1 298.386 2.967 20 30 CFEDMN CN([C@@H]1CC1(C)C)[C@@H]1CCCN(c2ccc(C#N)cc2)C1=O ZINC000447878531 383020587 /nfs/dbraw/zinc/02/05/87/383020587.db2.gz MDTMRDOHFLUVKA-HZPDHXFCSA-N 0 1 297.402 2.784 20 30 CFEDMN C[C@@H](CC#N)N(C)CC[C@@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC000496921323 383127442 /nfs/dbraw/zinc/12/74/42/383127442.db2.gz ODSKNXPMJCHQEX-UONOGXRCSA-N 0 1 295.427 2.867 20 30 CFEDMN N#CC(C(=O)NCc1ccco1)c1nc2ccccc2s1 ZINC000505437894 383141648 /nfs/dbraw/zinc/14/16/48/383141648.db2.gz JCUXOFXQFKJUDN-NSHDSACASA-N 0 1 297.339 2.813 20 30 CFEDMN C=CCCCC[N@@H+]1CC[C@@](C(=O)[O-])(C(F)(F)F)C1 ZINC000580956007 383082444 /nfs/dbraw/zinc/08/24/44/383082444.db2.gz ULNYNDDYMSPUKL-LLVKDONJSA-N 0 1 265.275 2.682 20 30 CFEDMN C=CCCCC(=O)Nc1ccc2nc(N(C)C)[nH]c2c1 ZINC000338916532 383085006 /nfs/dbraw/zinc/08/50/06/383085006.db2.gz DAKKRHUKJLYQSW-UHFFFAOYSA-N 0 1 272.352 2.924 20 30 CFEDMN C=C[C@H](CC(=O)N1CCN(C)C[C@@H]1CC)c1ccccc1 ZINC000583773491 383092629 /nfs/dbraw/zinc/09/26/29/383092629.db2.gz ZIVYFHSAIJLKBW-WBVHZDCISA-N 0 1 286.419 2.899 20 30 CFEDMN C=CCN(CCOC)Cc1ccc(-c2cnn(C)c2)s1 ZINC000338951308 383097224 /nfs/dbraw/zinc/09/72/24/383097224.db2.gz IIHOGTIWGNFWDY-UHFFFAOYSA-N 0 1 291.420 2.783 20 30 CFEDMN C=C(C)CN(CC)CC(=O)NCCO[C@@H]1CCCC[C@H]1C ZINC000246759208 383100551 /nfs/dbraw/zinc/10/05/51/383100551.db2.gz NIUJKRVEMRNGLM-HZPDHXFCSA-N 0 1 296.455 2.596 20 30 CFEDMN C[C@H](c1ccccc1)N(C)C(=O)CN(C)[C@H]1CC[C@@H](C#N)C1 ZINC000339159820 383171280 /nfs/dbraw/zinc/17/12/80/383171280.db2.gz SXBLACHSTSAZRM-INMHGKMJSA-N 0 1 299.418 2.830 20 30 CFEDMN C[C@@H]1CCN(Cc2ccccc2C#N)C[C@H]1n1ccnc1 ZINC000247452392 383173697 /nfs/dbraw/zinc/17/36/97/383173697.db2.gz JHONGLBOUQTFHH-RHSMWYFYSA-N 0 1 280.375 2.838 20 30 CFEDMN C=CCCC[N@@H+]1C[C@@H](C(=O)[O-])[C@@H](c2ccccc2)C1 ZINC000565112502 383175766 /nfs/dbraw/zinc/17/57/66/383175766.db2.gz LYWCJKJGEYVJJL-HUUCEWRRSA-N 0 1 259.349 2.753 20 30 CFEDMN C=CCC[C@@H](O)C[N@@H+](Cc1ccccc1)C[C@H](C)C(=O)[O-] ZINC000565106747 383175777 /nfs/dbraw/zinc/17/57/77/383175777.db2.gz LVUCZTCEUFOATL-GOEBONIOSA-N 0 1 291.391 2.536 20 30 CFEDMN C[C@H](CC#N)N(C)C(=O)c1cccc(C(F)(F)F)c1O ZINC000565181263 383176995 /nfs/dbraw/zinc/17/69/95/383176995.db2.gz MRLKNFRHOQKUGA-MRVPVSSYSA-N 0 1 286.253 2.785 20 30 CFEDMN CCN(CC/C=C/c1cncc(OC)c1)C[C@@H](C)C#N ZINC000565478197 383179552 /nfs/dbraw/zinc/17/95/52/383179552.db2.gz MVDVIXPDEPKJLC-DYLGSBMWSA-N 0 1 273.380 2.975 20 30 CFEDMN CCC[C@@]1(C)CCCN(CC(=O)N[C@](C)(C#N)C2CC2)C1 ZINC000247525783 383181541 /nfs/dbraw/zinc/18/15/41/383181541.db2.gz NUNNOPDPOCLTFH-DLBZAZTESA-N 0 1 291.439 2.697 20 30 CFEDMN CC[C@@H](CC#N)N[C@@H](C)Cc1ccccc1[N+](=O)[O-] ZINC000449243524 383186466 /nfs/dbraw/zinc/18/64/66/383186466.db2.gz LLGKRGAIDLMUEK-AAEUAGOBSA-N 0 1 261.325 2.808 20 30 CFEDMN N#CCC[C@@H](C#N)CNC[C@H]1CC[C@H](c2ccccc2)O1 ZINC000561847122 383155762 /nfs/dbraw/zinc/15/57/62/383155762.db2.gz XEZDKQUVFIYUCB-USXIJHARSA-N 0 1 283.375 2.940 20 30 CFEDMN N#CCC[C@H](C#N)CN[C@@H]1C[C@H]1c1cc(F)c(F)c(F)c1 ZINC000562434718 383158116 /nfs/dbraw/zinc/15/81/16/383158116.db2.gz VSNBIYFYDIQFPD-OLUVUFQESA-N 0 1 293.292 2.993 20 30 CFEDMN C[C@@H]1CC[C@@H](C)N1CC(=O)N[C@](C)(C#N)C1CCCCC1 ZINC000562580840 383160031 /nfs/dbraw/zinc/16/00/31/383160031.db2.gz WYSMCZUGXOYPSK-CKEIUWERSA-N 0 1 291.439 2.838 20 30 CFEDMN COC(=O)c1coc([C@@H](C)NCc2ccc(CC#N)cc2)c1 ZINC000563126520 383165120 /nfs/dbraw/zinc/16/51/20/383165120.db2.gz SPMIRVWIMYQXRY-GFCCVEGCSA-N 0 1 298.342 2.983 20 30 CFEDMN C[C@H](O)[C@](C)(CNC[C@@H](C#N)CCC#N)Cc1ccccc1 ZINC000520582990 383264391 /nfs/dbraw/zinc/26/43/91/383264391.db2.gz GHCPHINXKGZTMV-JQHSSLGASA-N 0 1 299.418 2.649 20 30 CFEDMN C=C(C)CN(CC)C(=O)[C@@H](C)N[C@@H](C)c1cnc(C)s1 ZINC000634576970 383242871 /nfs/dbraw/zinc/24/28/71/383242871.db2.gz DDCZVGYJZRHQBJ-NWDGAFQWSA-N 0 1 295.452 2.915 20 30 CFEDMN C[C@H](C(=O)N(C)CCC#N)N1CCC[C@H]1c1cccs1 ZINC000249110795 383327462 /nfs/dbraw/zinc/32/74/62/383327462.db2.gz MVHUAGGVBWYFLQ-OLZOCXBDSA-N 0 1 291.420 2.646 20 30 CFEDMN COc1ccc(C#N)cc1CN1CCCO[C@H](C(C)C)C1 ZINC000339826455 383332948 /nfs/dbraw/zinc/33/29/48/383332948.db2.gz QDGMNPMASUIAFH-KRWDZBQOSA-N 0 1 288.391 2.814 20 30 CFEDMN Cn1cc(CNCc2ccnc(C(F)(F)F)c2)cc1C#N ZINC000449439008 383294116 /nfs/dbraw/zinc/29/41/16/383294116.db2.gz UDZRLDSUDFISLR-UHFFFAOYSA-N 0 1 294.280 2.600 20 30 CFEDMN C=CCc1ccccc1OC[C@H](O)CNCc1ccoc1 ZINC000567681698 383301702 /nfs/dbraw/zinc/30/17/02/383301702.db2.gz YYEBHKLAUVNRPH-MRXNPFEDSA-N 0 1 287.359 2.538 20 30 CFEDMN CO[C@@H]1CN(Cc2cn3ccccc3c2C#N)CC[C@@H]1C ZINC000251994143 383402047 /nfs/dbraw/zinc/40/20/47/383402047.db2.gz WDLNHZWOMFUGPV-SUMWQHHRSA-N 0 1 283.375 2.668 20 30 CFEDMN Cc1ccc(-c2cc(C(=O)N(CC#N)C3CC3)n[nH]2)c(C)c1 ZINC000426655522 383408637 /nfs/dbraw/zinc/40/86/37/383408637.db2.gz SRGNZNVUGUKRNC-UHFFFAOYSA-N 0 1 294.358 2.822 20 30 CFEDMN C=C(CC)C[N@H+]1CC[C@](C(=O)[O-])(c2ccccc2)C1 ZINC000568522846 383412748 /nfs/dbraw/zinc/41/27/48/383412748.db2.gz FRCQZYUBPUERKE-MRXNPFEDSA-N 0 1 259.349 2.681 20 30 CFEDMN CCOc1cccc(-c2nc3ccc(C#N)cc3[nH]2)n1 ZINC000340096120 383353195 /nfs/dbraw/zinc/35/31/95/383353195.db2.gz QWGMYZCVZFBXEK-UHFFFAOYSA-N 0 1 264.288 2.895 20 30 CFEDMN CCN(C[C@@H](C)C#N)C(=O)CN1CCC[C@H]1c1ccccc1 ZINC000249745972 383359886 /nfs/dbraw/zinc/35/98/86/383359886.db2.gz ZQHCJBCLJBWAGG-RDJZCZTQSA-N 0 1 299.418 2.832 20 30 CFEDMN C[C@@H]1CCCN(CC(=O)Nc2cccc(C#N)c2)[C@H]1C ZINC000250484275 383376204 /nfs/dbraw/zinc/37/62/04/383376204.db2.gz KEPVFNGBFSOZTA-OLZOCXBDSA-N 0 1 271.364 2.617 20 30 CFEDMN C[C@H](c1ccc(-n2cncn2)cc1)N(C)CC1(C#N)CCC1 ZINC000450241024 383387392 /nfs/dbraw/zinc/38/73/92/383387392.db2.gz JOLQEKUKRMIHCQ-CQSZACIVSA-N 0 1 295.390 2.954 20 30 CFEDMN C=C(C)CN(C)CC(=O)N[C@H](C)Cc1ccccc1C ZINC000481315479 383426227 /nfs/dbraw/zinc/42/62/27/383426227.db2.gz JKBKSEGNGFNIGP-OAHLLOKOSA-N 0 1 274.408 2.550 20 30 CFEDMN CC(C)c1nc(CN(CCC#N)CC(C)(C)C)n[nH]1 ZINC000428224019 383430122 /nfs/dbraw/zinc/43/01/22/383430122.db2.gz QJNUXYKXPXGSRL-UHFFFAOYSA-N 0 1 263.389 2.690 20 30 CFEDMN CCC(CC)(CNCc1cccc(F)c1C#N)C(=O)OC ZINC000428301614 383446284 /nfs/dbraw/zinc/44/62/84/383446284.db2.gz KNIUBDHASWSKRU-UHFFFAOYSA-N 0 1 292.354 2.766 20 30 CFEDMN C[C@@H]1CN(c2nccc(C#N)c2Cl)CCN(C2CC2)C1 ZINC000450548744 383456768 /nfs/dbraw/zinc/45/67/68/383456768.db2.gz TYBVMLOVPNJTMU-NSHDSACASA-N 0 1 290.798 2.527 20 30 CFEDMN CNC(=O)CN[C@H](C)c1ccc(-c2cccc(C#N)c2)cc1 ZINC000428352529 383457122 /nfs/dbraw/zinc/45/71/22/383457122.db2.gz QOKVNVQJIAZIAT-CYBMUJFWSA-N 0 1 293.370 2.622 20 30 CFEDMN C=CCN1C(=O)N=NC1SC[C@@H]1CCC2(CCCC2)O1 ZINC000527309455 383469193 /nfs/dbraw/zinc/46/91/93/383469193.db2.gz ZPINYGATLXLSJV-NSHDSACASA-N 0 1 295.408 2.754 20 30 CFEDMN CC[C@]1(CNC[C@@H](C#N)CCC#N)OCCc2ccccc21 ZINC000569178383 383473931 /nfs/dbraw/zinc/47/39/31/383473931.db2.gz UNSHSZUKRRGUHN-CRAIPNDOSA-N 0 1 297.402 2.898 20 30 CFEDMN C=CCCCS(=O)(=O)Nc1n[nH]c2c1cccc2Cl ZINC000427775416 383417069 /nfs/dbraw/zinc/41/70/69/383417069.db2.gz UEAVPLIJEJJIPD-UHFFFAOYSA-N 0 1 299.783 2.924 20 30 CFEDMN N#CCCCN(CCO)Cc1cccc(Br)c1 ZINC000488157410 383501402 /nfs/dbraw/zinc/50/14/02/383501402.db2.gz CYMPEAUKPTWIBX-UHFFFAOYSA-N 0 1 297.196 2.547 20 30 CFEDMN C[C@H]1COC(C)(C)CN1CCCOc1cccc(C#N)c1 ZINC000488219104 383506052 /nfs/dbraw/zinc/50/60/52/383506052.db2.gz MNOINNOUJUXQHB-AWEZNQCLSA-N 0 1 288.391 2.826 20 30 CFEDMN Cc1cccnc1C(=O)C(C#N)c1nc2ccccc2[nH]1 ZINC000429329619 383520155 /nfs/dbraw/zinc/52/01/55/383520155.db2.gz AYOKYSOWSGYHIS-NSHDSACASA-N 0 1 276.299 2.756 20 30 CFEDMN C=CCN1CC[C@@H](N(C)C[C@@H]2CCCCC2(F)F)C1=O ZINC000450898005 383540854 /nfs/dbraw/zinc/54/08/54/383540854.db2.gz AYGYCPUMYZZQTE-QWHCGFSZSA-N 0 1 286.366 2.531 20 30 CFEDMN C=CCC(C)(C)C(=O)N1CCN(C2CCCC2)CC1 ZINC000429938667 383577835 /nfs/dbraw/zinc/57/78/35/383577835.db2.gz SUGPESPLKOXYKE-UHFFFAOYSA-N 0 1 264.413 2.676 20 30 CFEDMN N#Cc1cc(F)ccc1CN1CCC[C@@H]1[C@@H]1CCC[C@H]1O ZINC000451425987 383612405 /nfs/dbraw/zinc/61/24/05/383612405.db2.gz UTCUREIYXHZRQO-GVDBMIGSSA-N 0 1 288.366 2.823 20 30 CFEDMN C=CC[N@H+](C)Cc1cc(Br)ccc1C(=O)[O-] ZINC000570050327 383566307 /nfs/dbraw/zinc/56/63/07/383566307.db2.gz BJLZOMTYGISIPE-UHFFFAOYSA-N 0 1 284.153 2.765 20 30 CFEDMN Cc1cc(C#N)ccc1CN1CCC[C@H]1c1ccc(=O)[nH]n1 ZINC000528788971 383638321 /nfs/dbraw/zinc/63/83/21/383638321.db2.gz PAMHNHPHSXZRQC-INIZCTEOSA-N 0 1 294.358 2.699 20 30 CFEDMN C=CCCCCN(CCOC)Cc1cncs1 ZINC000570898425 383645357 /nfs/dbraw/zinc/64/53/57/383645357.db2.gz MLLFBXUPOBPTAL-UHFFFAOYSA-N 0 1 254.399 2.948 20 30 CFEDMN COc1cc(F)cc(C[C@@H](C)NC[C@@H](C#N)CCC#N)c1 ZINC000570955692 383650654 /nfs/dbraw/zinc/65/06/54/383650654.db2.gz WFQMBAJRMQEZNK-CHWSQXEVSA-N 0 1 289.354 2.798 20 30 CFEDMN COc1cc(F)cc(C[C@H](C)NC[C@@H](C#N)CCC#N)c1 ZINC000570955695 383651046 /nfs/dbraw/zinc/65/10/46/383651046.db2.gz WFQMBAJRMQEZNK-QWHCGFSZSA-N 0 1 289.354 2.798 20 30 CFEDMN CCO[C@@H]1CC[N@@H+](CCOc2cccc(C#N)c2)C[C@@H]1C ZINC000451527942 383636357 /nfs/dbraw/zinc/63/63/57/383636357.db2.gz HRUDURBTYUREMF-WMLDXEAASA-N 0 1 288.391 2.684 20 30 CFEDMN C=CC[C@H]1CCN(C(=O)c2cc(-c3ccccc3O)[nH]n2)C1 ZINC000636251240 383751758 /nfs/dbraw/zinc/75/17/58/383751758.db2.gz CKFSPDKWGYHAPA-LBPRGKRZSA-N 0 1 297.358 2.821 20 30 CFEDMN C[N@@H+](CCCOc1cccc(C#N)c1)CC(C)(C)C#N ZINC000433294714 383757871 /nfs/dbraw/zinc/75/78/71/383757871.db2.gz ANCJOILBFBRKPY-UHFFFAOYSA-N 0 1 271.364 2.809 20 30 CFEDMN CN(CCCOc1cccc(C#N)c1)CC(C)(C)C#N ZINC000433294714 383757875 /nfs/dbraw/zinc/75/78/75/383757875.db2.gz ANCJOILBFBRKPY-UHFFFAOYSA-N 0 1 271.364 2.809 20 30 CFEDMN C=CCNC(=O)CN(C)[C@H](c1ccc(F)cc1)C(C)C ZINC000434621379 383769976 /nfs/dbraw/zinc/76/99/76/383769976.db2.gz SFFFWENVSGWKOJ-INIZCTEOSA-N 0 1 278.371 2.757 20 30 CFEDMN C=CCC[C@H](O)C[N@@H+](CC(=O)[O-])[C@H](CC)c1ccccc1 ZINC000572782033 383817350 /nfs/dbraw/zinc/81/73/50/383817350.db2.gz HJFZNFZKLLZCEA-JKSUJKDBSA-N 0 1 291.391 2.851 20 30 CFEDMN C=C(C)CN(CC)C(=O)CN1CC[C@H]1Cc1ccccc1 ZINC000437828244 383910688 /nfs/dbraw/zinc/91/06/88/383910688.db2.gz LGOYCAMWLLMEBM-KRWDZBQOSA-N 0 1 286.419 2.728 20 30 CFEDMN C=C(CNC(=O)c1ccc(F)cc1O)c1ccccc1 ZINC000436732023 383885301 /nfs/dbraw/zinc/88/53/01/383885301.db2.gz BMQVTEAEVKGEIZ-UHFFFAOYSA-N 0 1 271.291 2.975 20 30 CFEDMN C=CCN1CC[C@H](Sc2nc3ccc(C)cc3[nH]2)C1=O ZINC000281086755 195098725 /nfs/dbraw/zinc/09/87/25/195098725.db2.gz WZUJGDRGACGWKP-ZDUSSCGKSA-N 0 1 287.388 2.750 20 30 CFEDMN Cc1cc(C#N)ccc1C(=O)NC[C@H](C)[N@H+]1CCCC[C@@H]1C ZINC000438905614 384030169 /nfs/dbraw/zinc/03/01/69/384030169.db2.gz ZWKSTBLBAOEYMM-GJZGRUSLSA-N 0 1 299.418 2.859 20 30 CFEDMN C=CCN1CC[C@@H](N(C)Cc2cccc(C)c2C)C1=O ZINC000281098091 195102222 /nfs/dbraw/zinc/10/22/22/195102222.db2.gz AFNWSKHJBPLVFG-MRXNPFEDSA-N 0 1 272.392 2.522 20 30 CFEDMN CC[C@@](C)(O)CN(Cc1ccccc1)CC1(C#N)CC1 ZINC000439261829 384034209 /nfs/dbraw/zinc/03/42/09/384034209.db2.gz NUBFBTTWIHGECG-MRXNPFEDSA-N 0 1 272.392 2.953 20 30 CFEDMN CC(C)c1ncc(CN(C)CCCSCC#N)cn1 ZINC000440452452 384084626 /nfs/dbraw/zinc/08/46/26/384084626.db2.gz BIRFJQLYBSVADD-UHFFFAOYSA-N 0 1 278.425 2.679 20 30 CFEDMN C[C@H]1C[C@H](C)N(CC(=O)Nc2cc(Cl)ccc2C#N)C1 ZINC000532970837 384086963 /nfs/dbraw/zinc/08/69/63/384086963.db2.gz ZSNRXDQMIWSJAP-QWRGUYRKSA-N 0 1 291.782 2.880 20 30 CFEDMN COc1ccnc(NCc2ccc(C#N)c(OC)c2)c1 ZINC000440608171 384112134 /nfs/dbraw/zinc/11/21/34/384112134.db2.gz HHHAEERVONXMJB-UHFFFAOYSA-N 0 1 269.304 2.583 20 30 CFEDMN CC#CC[C@H](CO)NCc1ccc(-c2ccccc2F)o1 ZINC000641768725 384335150 /nfs/dbraw/zinc/33/51/50/384335150.db2.gz GPTJEAQVKBPNMG-CYBMUJFWSA-N 0 1 287.334 2.950 20 30 CFEDMN Cn1cc(CN2CC[C@@H](CC(F)(F)F)C2)cc1C#N ZINC000278116597 384476784 /nfs/dbraw/zinc/47/67/84/384476784.db2.gz APILVAQMQLKIFV-JTQLQIEISA-N 0 1 271.286 2.671 20 30 CFEDMN C[C@@H](O)c1ncc(CN[C@@H](C)c2ccc(C#N)cc2)s1 ZINC000289347678 197306663 /nfs/dbraw/zinc/30/66/63/197306663.db2.gz WXTBQFARUOFJAI-WDEREUQCSA-N 0 1 287.388 2.919 20 30 CFEDMN C#C[C@@H](C)NCc1cc(OC)ccc1OCc1ccccn1 ZINC000289311510 197292994 /nfs/dbraw/zinc/29/29/94/197292994.db2.gz DSHDXHHCUNXXLB-CQSZACIVSA-N 0 1 296.370 2.781 20 30 CFEDMN N#Cc1ccc(CN2CC[C@H](CC(F)(F)F)C2)o1 ZINC000278451190 384578234 /nfs/dbraw/zinc/57/82/34/384578234.db2.gz XVWXALLVEZIBBP-SECBINFHSA-N 0 1 258.243 2.926 20 30 CFEDMN C=CC[C@H]1N(C(=O)c2cc(C)[nH]n2)CCCC1(C)C ZINC000278415552 384564131 /nfs/dbraw/zinc/56/41/31/384564131.db2.gz MJRBHJYAXCGFLQ-CYBMUJFWSA-N 0 1 261.369 2.925 20 30 CFEDMN C=CC[C@@H]1CCCC[C@H]1NC(=O)c1oc(CN)cc1C ZINC000638401177 384622972 /nfs/dbraw/zinc/62/29/72/384622972.db2.gz QELBPEFQFOVWRE-TZMCWYRMSA-N 0 1 276.380 2.911 20 30 CFEDMN N#Cc1cc([N+](=O)[O-])ccc1N[C@@H]1CCCc2cn[nH]c21 ZINC000268841217 384673044 /nfs/dbraw/zinc/67/30/44/384673044.db2.gz OQMAYXMFRANTKT-CYBMUJFWSA-N 0 1 283.291 2.679 20 30 CFEDMN C=CCCC(C)(C)NC(=O)c1oc(CN)cc1C ZINC000638431222 384649710 /nfs/dbraw/zinc/64/97/10/384649710.db2.gz JOVSHEQGCAPNFG-UHFFFAOYSA-N 0 1 250.342 2.521 20 30 CFEDMN C=CCN1CC[C@@H](N(CC)Cc2ccccc2C)C1=O ZINC000281153336 195126263 /nfs/dbraw/zinc/12/62/63/195126263.db2.gz BKOHZVFMRIHBIQ-MRXNPFEDSA-N 0 1 272.392 2.604 20 30 CFEDMN C=C[C@@H](CC(=O)N1CCNC[C@H]1C(C)C)c1ccccc1 ZINC000638492329 384695678 /nfs/dbraw/zinc/69/56/78/384695678.db2.gz NZEASBNOQHBFSP-RDJZCZTQSA-N 0 1 286.419 2.803 20 30 CFEDMN C=CCC[C@H](CC)N[C@H]1CS(=O)(=O)c2ccccc21 ZINC000269069126 384721284 /nfs/dbraw/zinc/72/12/84/384721284.db2.gz MISGLBIUKNTIQP-JSGCOSHPSA-N 0 1 279.405 2.849 20 30 CFEDMN CCc1[nH]ncc1C(=O)Nc1ccc(OC(C)C)c(C#N)c1 ZINC000269429377 384758169 /nfs/dbraw/zinc/75/81/69/384758169.db2.gz VWCRTQWPCZQXSJ-UHFFFAOYSA-N 0 1 298.346 2.883 20 30 CFEDMN C=C(C)CN(Cc1ccccc1)C(=O)[C@@H]1CCCN1C ZINC000279888040 384801425 /nfs/dbraw/zinc/80/14/25/384801425.db2.gz HLSADVGCBDMBGP-INIZCTEOSA-N 0 1 272.392 2.686 20 30 CFEDMN C=CCCCNC(=O)NC[C@H](c1ccco1)N1CCCC1 ZINC000280090612 384879433 /nfs/dbraw/zinc/87/94/33/384879433.db2.gz NQKAQKZVDPMEJE-CQSZACIVSA-N 0 1 291.395 2.682 20 30 CFEDMN C#CC[C@H](NC(=O)[C@@H]1CCCc2[nH]ncc21)c1ccccc1 ZINC000270495179 385124775 /nfs/dbraw/zinc/12/47/75/385124775.db2.gz PQEYJSGHZYLHEU-ZBFHGGJFSA-N 0 1 293.370 2.710 20 30 CFEDMN CC1=CCCN([C@H]2CCCN(c3ccc(C#N)cc3)C2=O)C1 ZINC000280953329 385180649 /nfs/dbraw/zinc/18/06/49/385180649.db2.gz XSQVBOWEAMEZQU-KRWDZBQOSA-N 0 1 295.386 2.706 20 30 CFEDMN C=CCN1CC[C@@H](N[C@@H](C)c2cccc(OCC)c2)C1=O ZINC000281180489 195137568 /nfs/dbraw/zinc/13/75/68/195137568.db2.gz LTHSLYZKCJUCLO-XJKSGUPXSA-N 0 1 288.391 2.523 20 30 CFEDMN C=CCN1CC[C@H](N(C)[C@H](C)c2cccs2)C1=O ZINC000282134153 385222954 /nfs/dbraw/zinc/22/29/54/385222954.db2.gz YZLGPRPAJLTWIL-NEPJUHHUSA-N 0 1 264.394 2.528 20 30 CFEDMN CN(CCCC#N)[C@H](CO)c1cccc(Br)c1 ZINC000270945753 385278888 /nfs/dbraw/zinc/27/88/88/385278888.db2.gz KJGVAISZOIICLE-CYBMUJFWSA-N 0 1 297.196 2.718 20 30 CFEDMN C#CCN(CC)Cc1c[nH]nc1-c1c(F)cccc1F ZINC000271144369 385350261 /nfs/dbraw/zinc/35/02/61/385350261.db2.gz QNKWEZPOJLZUOV-UHFFFAOYSA-N 0 1 275.302 2.810 20 30 CFEDMN Cc1cc([C@H]2CCCN(C(=O)c3ccc(C#N)cc3)C2)n[nH]1 ZINC000282666796 385366359 /nfs/dbraw/zinc/36/63/59/385366359.db2.gz INDUXUDMOASRTQ-HNNXBMFYSA-N 0 1 294.358 2.610 20 30 CFEDMN CC(C)CNC(=O)C(C#N)c1nc2ccccc2s1 ZINC000271071801 385327170 /nfs/dbraw/zinc/32/71/70/385327170.db2.gz FJBGIJMYJIKJHX-JTQLQIEISA-N 0 1 273.361 2.676 20 30 CFEDMN C[C@@H](NC[C@](C)(O)C(F)(F)F)c1ccc(C#N)c(F)c1 ZINC000271911851 385397839 /nfs/dbraw/zinc/39/78/39/385397839.db2.gz AWEQPNQYJIRYKN-PELKAZGASA-N 0 1 290.260 2.661 20 30 CFEDMN C[C@@H](C#N)C(=O)Nc1ccc2nc([C@H]3CCCO3)[nH]c2c1 ZINC000347070064 533120815 /nfs/dbraw/zinc/12/08/15/533120815.db2.gz NTPLUUCZZQMQLN-TVQRCGJNSA-N 0 1 284.319 2.513 20 30 CFEDMN Cc1cc([C@@H]2CCCN(C(=O)c3cc(C#N)oc3C)C2)n[nH]1 ZINC000283442155 385466591 /nfs/dbraw/zinc/46/65/91/385466591.db2.gz WDZPJIAOPIRMOC-GFCCVEGCSA-N 0 1 298.346 2.511 20 30 CFEDMN CC(C)(C)[C@@H]1CCN(Cc2cc(C#N)ccc2F)C[C@@H]1O ZINC000272302523 385504196 /nfs/dbraw/zinc/50/41/96/385504196.db2.gz HISKJARFTXXPQJ-ZBFHGGJFSA-N 0 1 290.382 2.926 20 30 CFEDMN C=CCNC(=O)CN[C@H](C)c1ccc(OCCCC)cc1 ZINC000284158300 385542668 /nfs/dbraw/zinc/54/26/68/385542668.db2.gz DVXOKJZTZGAMRG-CQSZACIVSA-N 0 1 290.407 2.818 20 30 CFEDMN N#Cc1cccnc1N1CCN([C@H]2C=CCCCCC2)CC1 ZINC000284303097 385546917 /nfs/dbraw/zinc/54/69/17/385546917.db2.gz OSBHIXREVVTTGW-KRWDZBQOSA-N 0 1 296.418 2.964 20 30 CFEDMN COc1ccc([C@H](CN(C)C)NCc2ccc(C#N)o2)cc1 ZINC000283974122 385519321 /nfs/dbraw/zinc/51/93/21/385519321.db2.gz LGRATFBZYBSQOL-KRWDZBQOSA-N 0 1 299.374 2.552 20 30 CFEDMN C=CC[N@H+](Cc1cccs1)C[C@@H]1CCc2ncnn21 ZINC000639436142 385525711 /nfs/dbraw/zinc/52/57/11/385525711.db2.gz WXUDVIBFKBAELC-LBPRGKRZSA-N 0 1 274.393 2.515 20 30 CFEDMN C=CCN(Cc1cccs1)C[C@@H]1CCc2ncnn21 ZINC000639436142 385525716 /nfs/dbraw/zinc/52/57/16/385525716.db2.gz WXUDVIBFKBAELC-LBPRGKRZSA-N 0 1 274.393 2.515 20 30 CFEDMN C=CCC[C@@H](N[C@H]1CC(=O)N(C(C)C)C1)c1ccco1 ZINC000286238119 385576054 /nfs/dbraw/zinc/57/60/54/385576054.db2.gz TYJCSMDCTOCSGX-UONOGXRCSA-N 0 1 276.380 2.886 20 30 CFEDMN CCC[C@@]1(CO)CCN(CC#Cc2ccc(F)cc2)C1 ZINC000288829671 197174131 /nfs/dbraw/zinc/17/41/31/197174131.db2.gz NSGJTCRDSHKBKB-QGZVFWFLSA-N 0 1 275.367 2.662 20 30 CFEDMN C#CCN(Cc1ccccc1)C(=O)c1cc(C2CC2)[nH]n1 ZINC000286369565 385600117 /nfs/dbraw/zinc/60/01/17/385600117.db2.gz LIZYHAIMOLLGTJ-UHFFFAOYSA-N 0 1 279.343 2.563 20 30 CFEDMN C#CC(C)(C)N(C)Cc1ccc(C(F)(F)F)cn1 ZINC000286329261 385591053 /nfs/dbraw/zinc/59/10/53/385591053.db2.gz WYNDHAATMHKFJL-UHFFFAOYSA-N 0 1 256.271 2.944 20 30 CFEDMN C=CCS(=O)(=O)CCN[C@H](C)c1ccc(CCC)cc1 ZINC000272832409 385628317 /nfs/dbraw/zinc/62/83/17/385628317.db2.gz HZHXXKQBGJMMHE-CQSZACIVSA-N 0 1 295.448 2.891 20 30 CFEDMN C=C(C)C[C@@H](C)C(=O)N[C@@H](C)c1n[nH]c(C(C)C)n1 ZINC000274493337 385811939 /nfs/dbraw/zinc/81/19/39/385811939.db2.gz KLOUTJLPIBTRER-MNOVXSKESA-N 0 1 264.373 2.708 20 30 CFEDMN C=C(C)[C@H](NC(=O)[C@@H]1CCCN1C)c1ccc(F)c(F)c1 ZINC000274626483 385836864 /nfs/dbraw/zinc/83/68/64/385836864.db2.gz MMLSYZSLGDCAGF-GJZGRUSLSA-N 0 1 294.345 2.792 20 30 CFEDMN C=C(C)[C@H](NCCC(=O)N(C)C)c1ccc(F)c(F)c1 ZINC000274852510 385883773 /nfs/dbraw/zinc/88/37/73/385883773.db2.gz GFTDZTLZWAFIRI-HNNXBMFYSA-N 0 1 282.334 2.650 20 30 CFEDMN C=C(C)CCN1Cc2c(OC)ccc(OC)c2[C@H](O)C1 ZINC000274749836 385863211 /nfs/dbraw/zinc/86/32/11/385863211.db2.gz HIGJJXUWZOVMOK-CYBMUJFWSA-N 0 1 277.364 2.519 20 30 CFEDMN C=CCCN(C)[C@@H](C)C(=O)N1CCCc2ccccc21 ZINC000276472699 385989813 /nfs/dbraw/zinc/98/98/13/385989813.db2.gz RUFQYBWUXXHUAG-AWEZNQCLSA-N 0 1 272.392 2.862 20 30 CFEDMN C=CCCN(C)[C@H](C)C(=O)N1CCCc2ccccc21 ZINC000276472700 385989962 /nfs/dbraw/zinc/98/99/62/385989962.db2.gz RUFQYBWUXXHUAG-CQSZACIVSA-N 0 1 272.392 2.862 20 30 CFEDMN CN(Cc1cc(C#N)n(C)c1)C[C@@H]1OCCc2ccccc21 ZINC000276722023 386024910 /nfs/dbraw/zinc/02/49/10/386024910.db2.gz FPGLJTXYTYCEMX-SFHVURJKSA-N 0 1 295.386 2.643 20 30 CFEDMN C=C(CNC(=O)[C@H]1CCCc2[nH]ncc21)c1ccccc1 ZINC000288082375 197000154 /nfs/dbraw/zinc/00/01/54/197000154.db2.gz GXXFHODHWSHIIV-AWEZNQCLSA-N 0 1 281.359 2.659 20 30 CFEDMN C=CCN1CC[C@H](N(C)[C@@H]2CCc3ccc(F)cc32)C1=O ZINC000281256685 195169774 /nfs/dbraw/zinc/16/97/74/195169774.db2.gz HETDLGUCFHNQGJ-CVEARBPZSA-N 0 1 288.366 2.532 20 30 CFEDMN C=CCN1CC[C@@H](N(C)Cc2ccc(Cl)cc2)C1=O ZINC000281313440 195192595 /nfs/dbraw/zinc/19/25/95/195192595.db2.gz QPSBMCRKNZJFGW-CQSZACIVSA-N 0 1 278.783 2.559 20 30 CFEDMN C=CCN1CC[C@H](N[C@H](C)c2ccc(Cl)cc2)C1=O ZINC000281333990 195200251 /nfs/dbraw/zinc/20/02/51/195200251.db2.gz WBBCYJIATQCCSA-RISCZKNCSA-N 0 1 278.783 2.778 20 30 CFEDMN C=CCNC(=O)[C@@H](C)N[C@@H](C)c1ccccc1SC ZINC000281688993 195337709 /nfs/dbraw/zinc/33/77/09/195337709.db2.gz MWBUUXYMXMQJQI-NWDGAFQWSA-N 0 1 278.421 2.750 20 30 CFEDMN CO[C@H]1CCN(Cc2cn3ccccc3c2C#N)[C@H](C)C1 ZINC000281743111 195361460 /nfs/dbraw/zinc/36/14/60/195361460.db2.gz QNVATCZRJQGPLD-HIFRSBDPSA-N 0 1 283.375 2.810 20 30 CFEDMN COc1ccc2nc(CNCCCC#N)sc2c1 ZINC000353208444 533348402 /nfs/dbraw/zinc/34/84/02/533348402.db2.gz QEWXFPNWMFQGMO-UHFFFAOYSA-N 0 1 261.350 2.698 20 30 CFEDMN CC#CCCN1CCN(c2ccccc2F)C[C@H]1C ZINC000682780560 542591309 /nfs/dbraw/zinc/59/13/09/542591309.db2.gz RQSGFODPZGPELX-CQSZACIVSA-N 0 1 260.356 2.750 20 30 CFEDMN CC[C@H](C)CN1CCO[C@H](c2cccc(C#N)c2)C1 ZINC000341805919 130068092 /nfs/dbraw/zinc/06/80/92/130068092.db2.gz CUWKQMIVQRZNFS-BBRMVZONSA-N 0 1 258.365 2.978 20 30 CFEDMN C=CCC1(C(=O)Nc2cnn(-c3ccncc3)c2)CCC1 ZINC000682889448 542606100 /nfs/dbraw/zinc/60/61/00/542606100.db2.gz IUEMCVANCZZOAB-UHFFFAOYSA-N 0 1 282.347 2.952 20 30 CFEDMN C(#Cc1ccccc1)CN1CCC[C@@H](n2ccnc2)C1 ZINC000683007386 542627300 /nfs/dbraw/zinc/62/73/00/542627300.db2.gz VOZFCUZQRSNTLS-QGZVFWFLSA-N 0 1 265.360 2.572 20 30 CFEDMN C(#Cc1ccccc1)CN1CCOCC2(CCCC2)C1 ZINC000683024469 542630253 /nfs/dbraw/zinc/63/02/53/542630253.db2.gz MCAFHISODTYPHR-UHFFFAOYSA-N 0 1 269.388 2.931 20 30 CFEDMN N#CC(C(=O)c1coc(C2CC2)n1)c1nc2ccccc2[nH]1 ZINC000683901836 542742078 /nfs/dbraw/zinc/74/20/78/542742078.db2.gz GOYCIWPGSNQYIO-JTQLQIEISA-N 0 1 292.298 2.918 20 30 CFEDMN C=CCOc1cccc(NC(=O)C(C)(C)c2cnc[nH]2)c1 ZINC000683918714 542743472 /nfs/dbraw/zinc/74/34/72/542743472.db2.gz QNMPIVGBTWXBDA-UHFFFAOYSA-N 0 1 285.347 2.891 20 30 CFEDMN C=C(C)CN1CCC(Nc2nc(C3CC3)ns2)CC1 ZINC000301503691 393473581 /nfs/dbraw/zinc/47/35/81/393473581.db2.gz HTNNVEOCTLXNMV-UHFFFAOYSA-N 0 1 278.425 2.868 20 30 CFEDMN Cc1cc(C#N)ccc1CN1CCCN(C(=O)C(C)C)CC1 ZINC000186201974 393541385 /nfs/dbraw/zinc/54/13/85/393541385.db2.gz HBQYYWSWZPOBTA-UHFFFAOYSA-N 0 1 299.418 2.557 20 30 CFEDMN C[C@H]1C[C@H](C(=O)Nc2nc(C3CCC3)n[nH]2)CCC1=O ZINC000329545663 393542734 /nfs/dbraw/zinc/54/27/34/393542734.db2.gz ZQFRQMCHTRNGSC-WCBMZHEXSA-N 0 1 276.340 2.666 20 30 CFEDMN C[C@H]1C[C@H](C(=O)Nc2n[nH]c(C3CCC3)n2)CCC1=O ZINC000329545663 393542738 /nfs/dbraw/zinc/54/27/38/393542738.db2.gz ZQFRQMCHTRNGSC-WCBMZHEXSA-N 0 1 276.340 2.666 20 30 CFEDMN C=C(C)CN(CC)[C@@H](C)C(=O)NC1CCCCC1 ZINC000302742792 393494049 /nfs/dbraw/zinc/49/40/49/393494049.db2.gz MHJQNWDRAGANTH-ZDUSSCGKSA-N 0 1 252.402 2.722 20 30 CFEDMN CCCCCN1C[C@@H](C#N)[C@@]2(C1)c1ccccc1NC2=O ZINC000374354464 393494231 /nfs/dbraw/zinc/49/42/31/393494231.db2.gz UIXGODPAHHUHIE-DYVFJYSZSA-N 0 1 283.375 2.522 20 30 CFEDMN C#CCOc1ccccc1CNCc1cnc(C)s1 ZINC000040997529 393544630 /nfs/dbraw/zinc/54/46/30/393544630.db2.gz LCTPGARZLLZGRW-UHFFFAOYSA-N 0 1 272.373 2.753 20 30 CFEDMN C#Cc1cccc(NC(=O)N2CCCC[C@@H]2c2nnc[nH]2)c1 ZINC000183066142 393516541 /nfs/dbraw/zinc/51/65/41/393516541.db2.gz HWXZQGDMJJDDAO-CQSZACIVSA-N 0 1 295.346 2.545 20 30 CFEDMN Cc1c([C@H](C)NCC#Cc2ccc(F)cc2)cnn1C ZINC000183315724 393518232 /nfs/dbraw/zinc/51/82/32/393518232.db2.gz ZOWQWVCMPCYCHJ-LBPRGKRZSA-N 0 1 271.339 2.570 20 30 CFEDMN O=C(NCC1(O)CCCCC1)c1cc2[nH]cnc2cc1F ZINC000329400622 393533785 /nfs/dbraw/zinc/53/37/85/393533785.db2.gz VWBOUYPGEBOZTD-UHFFFAOYSA-N 0 1 291.326 2.702 20 30 CFEDMN COc1cccc(NC(=O)c2ccc(C#N)c(O)c2)c1 ZINC000188208301 393562477 /nfs/dbraw/zinc/56/24/77/393562477.db2.gz HBLMGZFAMXIZNW-UHFFFAOYSA-N 0 1 268.272 2.525 20 30 CFEDMN Cc1ccc(O)c(NC(=O)c2ccc(C#N)c(O)c2)c1 ZINC000188355775 393563738 /nfs/dbraw/zinc/56/37/38/393563738.db2.gz GEJPJPSRYPVCFU-UHFFFAOYSA-N 0 1 268.272 2.530 20 30 CFEDMN N#CCC1CCN(Cc2nc3ccccc3o2)CC1 ZINC000334332523 393595213 /nfs/dbraw/zinc/59/52/13/393595213.db2.gz QGUHPGAFJFGFGJ-UHFFFAOYSA-N 0 1 255.321 2.953 20 30 CFEDMN COC(=O)C[C@@H]1CCCCN1Cc1ccc(C#N)cc1F ZINC000048739199 393597605 /nfs/dbraw/zinc/59/76/05/393597605.db2.gz GAXSIBIJFKCSRM-AWEZNQCLSA-N 0 1 290.338 2.615 20 30 CFEDMN COC(=O)C[C@H]1CCCCN1Cc1cc(C#N)ccc1F ZINC000048739205 393597739 /nfs/dbraw/zinc/59/77/39/393597739.db2.gz WZNLDWCKHKVXBB-CQSZACIVSA-N 0 1 290.338 2.615 20 30 CFEDMN C[C@H](N[C@H]1CCc2ccc(C#N)cc21)c1cn[nH]c1 ZINC000335185035 393651005 /nfs/dbraw/zinc/65/10/05/393651005.db2.gz FSKCWCSWUUDGLJ-BONVTDFDSA-N 0 1 252.321 2.619 20 30 CFEDMN C[C@H]1OCC[C@]12CN(CCC1(C#N)CCCCC1)CCO2 ZINC000411659311 393735982 /nfs/dbraw/zinc/73/59/82/393735982.db2.gz OYQUMKPWVJCEOK-WBVHZDCISA-N 0 1 292.423 2.730 20 30 CFEDMN C[C@@H]1CN(C)[C@@H](C)CN1c1ccc(C(F)(F)F)c(C#N)n1 ZINC000336994617 393752780 /nfs/dbraw/zinc/75/27/80/393752780.db2.gz ZHQARXYHWAEZRT-VHSXEESVSA-N 0 1 298.312 2.501 20 30 CFEDMN O[C@H]1C[C@@H](c2ccccc2)N(CC#Cc2ccc(F)cc2)C1 ZINC000411951100 393758073 /nfs/dbraw/zinc/75/80/73/393758073.db2.gz RPJGZCOMLYIDJG-OALUTQOASA-N 0 1 295.357 2.985 20 30 CFEDMN O[C@H]1C[C@@H](c2ccccc2)N(CC#Cc2ccccc2)C1 ZINC000411923453 393758869 /nfs/dbraw/zinc/75/88/69/393758869.db2.gz KPCPZGZMNRHNMJ-OALUTQOASA-N 0 1 277.367 2.846 20 30 CFEDMN C[C@H]1CN(C[C@H](C#N)CCC#N)CCN1Cc1ccccc1 ZINC000411978771 393760159 /nfs/dbraw/zinc/76/01/59/393760159.db2.gz BVQPHIDVYIGCQN-WMZOPIPTSA-N 0 1 296.418 2.636 20 30 CFEDMN C[C@H](C#N)C[N@@H+](CC1(O)CCC(C)CC1)C1CC1 ZINC000338390985 393786696 /nfs/dbraw/zinc/78/66/96/393786696.db2.gz YYNLMXHKCYQVJB-JVWICGRDSA-N 0 1 250.386 2.552 20 30 CFEDMN C[C@H](C#N)CN(CC1(O)CCC(C)CC1)C1CC1 ZINC000338390985 393786700 /nfs/dbraw/zinc/78/67/00/393786700.db2.gz YYNLMXHKCYQVJB-JVWICGRDSA-N 0 1 250.386 2.552 20 30 CFEDMN C=CCCN[C@H](C)c1nc(-c2ccccc2OC)no1 ZINC000338571625 393792324 /nfs/dbraw/zinc/79/23/24/393792324.db2.gz QEHBESULUBLYLM-LLVKDONJSA-N 0 1 273.336 2.972 20 30 CFEDMN C=C(C)CN(CC)CC[S@](=O)c1ccccc1 ZINC000338611223 393794275 /nfs/dbraw/zinc/79/42/75/393794275.db2.gz WEUXGSRUUPCCPW-KRWDZBQOSA-N 0 1 251.395 2.692 20 30 CFEDMN C=C(C)CN(CC)CC[S@@](=O)c1ccccc1 ZINC000338611224 393794395 /nfs/dbraw/zinc/79/43/95/393794395.db2.gz WEUXGSRUUPCCPW-QGZVFWFLSA-N 0 1 251.395 2.692 20 30 CFEDMN C=C(C)CN(C)Cc1cc(C(=O)OC)c(CC)o1 ZINC000338937548 393805531 /nfs/dbraw/zinc/80/55/31/393805531.db2.gz YVQRSIYDVNDSBS-UHFFFAOYSA-N 0 1 251.326 2.637 20 30 CFEDMN C=CCOCCN1CC[C@H](Oc2ccccc2Cl)C1 ZINC000339051266 393814104 /nfs/dbraw/zinc/81/41/04/393814104.db2.gz ZBNVWUGKZKHFAH-ZDUSSCGKSA-N 0 1 281.783 2.996 20 30 CFEDMN C=C(C)CN(CC)CC(=O)N(Cc1ccc(C)o1)C1CC1 ZINC000114712646 393901030 /nfs/dbraw/zinc/90/10/30/393901030.db2.gz GGOZUAJYKAZIHY-UHFFFAOYSA-N 0 1 290.407 2.977 20 30 CFEDMN C[C@H](CC#N)NC(=O)Nc1ccc2nc(C(F)F)[nH]c2c1 ZINC000120316090 393933178 /nfs/dbraw/zinc/93/31/78/393933178.db2.gz RZPNQGFVGYTGBR-SSDOTTSWSA-N 0 1 293.277 2.924 20 30 CFEDMN CCN(C[C@H](C)C#N)C(=O)c1cnc(-c2ccccc2)[nH]1 ZINC000346177412 393922590 /nfs/dbraw/zinc/92/25/90/393922590.db2.gz NZFXNRKZLGHVDU-GFCCVEGCSA-N 0 1 282.347 2.698 20 30 CFEDMN Cc1cc(CN2CCC(F)(C#N)CC2)cc(C)c1O ZINC000348712586 393957318 /nfs/dbraw/zinc/95/73/18/393957318.db2.gz UXWDKKOQLMATLA-UHFFFAOYSA-N 0 1 262.328 2.837 20 30 CFEDMN C=CCNC(=O)C(C#N)c1nc(-c2ccccc2)cs1 ZINC000122058931 393964006 /nfs/dbraw/zinc/96/40/06/393964006.db2.gz GGWQTSGNIGVVLD-GFCCVEGCSA-N 0 1 283.356 2.719 20 30 CFEDMN CC(C)Oc1ccc(NC(=O)CN(C)C(C)C)cc1C#N ZINC000122070634 393964419 /nfs/dbraw/zinc/96/44/19/393964419.db2.gz XHXZGUCUVNGLCR-UHFFFAOYSA-N 0 1 289.379 2.624 20 30 CFEDMN CC[C@@H](C#N)Nc1cccc2c1CN(CCCOC)C2 ZINC000122231818 393966179 /nfs/dbraw/zinc/96/61/79/393966179.db2.gz QTUFPIVCUSIJTQ-AWEZNQCLSA-N 0 1 273.380 2.753 20 30 CFEDMN C[C@H](N[C@H]1c2ccccc2C[C@H]1O)c1cccc(C#N)c1 ZINC000271900502 394024707 /nfs/dbraw/zinc/02/47/07/394024707.db2.gz VJYLLERWYYPSRU-RZAIGCCYSA-N 0 1 278.355 2.867 20 30 CFEDMN CO[C@H]1CCN(CC#Cc2ccc(C(F)(F)F)cc2)C1 ZINC000267701614 393988819 /nfs/dbraw/zinc/98/88/19/393988819.db2.gz UQORUUPCISZOEJ-AWEZNQCLSA-N 0 1 283.293 2.778 20 30 CFEDMN COc1ccc(C#N)cc1NC(=O)c1c(O)cccc1F ZINC000436944692 394037708 /nfs/dbraw/zinc/03/77/08/394037708.db2.gz NMLJCMHZPWOHKD-UHFFFAOYSA-N 0 1 286.262 2.664 20 30 CFEDMN C#C[C@H](C)N(C)Cc1c[nH]nc1-c1cccc(C)c1 ZINC000491695324 394056502 /nfs/dbraw/zinc/05/65/02/394056502.db2.gz XJWOOJTXTPPKLK-ZDUSSCGKSA-N 0 1 253.349 2.839 20 30 CFEDMN C#C[C@H](C)N(C)C(=O)c1cccc(C(F)(F)F)c1O ZINC000491732234 394057292 /nfs/dbraw/zinc/05/72/92/394057292.db2.gz QTVVICUNHVPXDF-QMMMGPOBSA-N 0 1 271.238 2.505 20 30 CFEDMN CCC1(CC)CCN([C@@H](C(N)=O)c2ccc(C#N)cc2)C1 ZINC000438500929 394079239 /nfs/dbraw/zinc/07/92/39/394079239.db2.gz SADZATMKCBGKNU-OAHLLOKOSA-N 0 1 285.391 2.597 20 30 CFEDMN C=CCN1CC[C@@H](N2CCC[C@@H]2c2ccsc2)C1=O ZINC000281976973 394104207 /nfs/dbraw/zinc/10/42/07/394104207.db2.gz LRKGPCKMHTWUDK-ZIAGYGMSSA-N 0 1 276.405 2.672 20 30 CFEDMN C=CCN(CCc1ccccc1)[C@H]1CCN(CC=C)C1=O ZINC000282016033 394110698 /nfs/dbraw/zinc/11/06/98/394110698.db2.gz OVTSTJXADMVYFZ-KRWDZBQOSA-N 0 1 284.403 2.504 20 30 CFEDMN N#CC(C(=O)c1ccc([N+](=O)[O-])[nH]1)c1nc2ccccc2o1 ZINC000358989962 394119557 /nfs/dbraw/zinc/11/95/57/394119557.db2.gz WUQSHECMNJHRHE-QMMMGPOBSA-N 0 1 296.242 2.554 20 30 CFEDMN CC(C)C[N@H+]1CCCC[C@H]1CNCc1ccc(C#N)o1 ZINC000130872307 394120550 /nfs/dbraw/zinc/12/05/50/394120550.db2.gz VDPQBPANXZLKMW-AWEZNQCLSA-N 0 1 275.396 2.751 20 30 CFEDMN N#CC1(CN2CCC(CCCn3ccnc3)CC2)CC1 ZINC000361042928 394164054 /nfs/dbraw/zinc/16/40/54/394164054.db2.gz CADPWWQCJJDQJC-UHFFFAOYSA-N 0 1 272.396 2.679 20 30 CFEDMN Cc1cc(CNCc2cc(C#N)cs2)cc(C)n1 ZINC000421372925 394206526 /nfs/dbraw/zinc/20/65/26/394206526.db2.gz GFHFYYWTEFBSNX-UHFFFAOYSA-N 0 1 257.362 2.921 20 30 CFEDMN CC[C@H](C)N1CCN(C(=O)/C=C\c2ccc(C#N)cc2)CC1 ZINC000493411813 394235698 /nfs/dbraw/zinc/23/56/98/394235698.db2.gz BXDOVIFWMKHOHJ-CDNLZTBQSA-N 0 1 297.402 2.514 20 30 CFEDMN C[C@]1(F)CCCN(CCC(=O)Nc2cccc(C#N)c2)C1 ZINC000451117097 394359405 /nfs/dbraw/zinc/35/94/05/394359405.db2.gz UBRMRZDGLPYWML-INIZCTEOSA-N 0 1 289.354 2.711 20 30 CFEDMN C[C@@]1(F)CCCN(CCC(=O)Nc2sccc2C#N)C1 ZINC000451119469 394360005 /nfs/dbraw/zinc/36/00/05/394360005.db2.gz GTQXOLQGONRLHH-CQSZACIVSA-N 0 1 295.383 2.772 20 30 CFEDMN C=CC[C@H](CC)NC(=O)c1c(C)n[nH]c1C(F)(F)F ZINC000684987260 542883677 /nfs/dbraw/zinc/88/36/77/542883677.db2.gz DERVNYNAXFNDBA-QMMMGPOBSA-N 0 1 275.274 2.821 20 30 CFEDMN C[C@@H]1C[C@@H](C)N1[C@@H]1CCCN(c2ccc(C#N)cc2)C1=O ZINC000548096925 394910170 /nfs/dbraw/zinc/91/01/70/394910170.db2.gz VNKCXQRTTSCMLW-XJKCOSOUSA-N 0 1 283.375 2.536 20 30 CFEDMN C[C@H](O)C[C@@H](CNC[C@@H](C#N)CCC#N)c1ccccc1 ZINC000574749836 395089333 /nfs/dbraw/zinc/08/93/33/395089333.db2.gz BYRSAZWWCPBIRO-UXLLHSPISA-N 0 1 285.391 2.574 20 30 CFEDMN Cn1ccc(-c2cc(C(=O)Nc3cccc(C#N)c3)[nH]n2)c1 ZINC000557462177 395036156 /nfs/dbraw/zinc/03/61/56/395036156.db2.gz BCZUQWSFZDECII-UHFFFAOYSA-N 0 1 291.314 2.539 20 30 CFEDMN C=C(C)[C@H](CO)N(C)Cc1cc(Br)cs1 ZINC000649246789 395460524 /nfs/dbraw/zinc/46/05/24/395460524.db2.gz RYFLRVDSNYTDPY-NSHDSACASA-N 0 1 290.226 2.879 20 30 CFEDMN C=C[C@@H](CC(=O)N1C[C@@H](C)N[C@@H](C)C1)c1ccccc1 ZINC000649272321 395465949 /nfs/dbraw/zinc/46/59/49/395465949.db2.gz UCBBWSIXDREJHB-ZNMIVQPWSA-N 0 1 272.392 2.555 20 30 CFEDMN C=C[C@@H](CC(=O)N1CCc2nc[nH]c2C1)c1ccccc1 ZINC000647735024 395421900 /nfs/dbraw/zinc/42/19/00/395421900.db2.gz OBZPYOUQHJKBIR-ZDUSSCGKSA-N 0 1 281.359 2.654 20 30 CFEDMN C=CCCCN1Cc2ccccc2C[C@@H]1C(=O)NC1CC1 ZINC000649660284 395547166 /nfs/dbraw/zinc/54/71/66/395547166.db2.gz FPQQBEFBFXWUQZ-QGZVFWFLSA-N 0 1 284.403 2.658 20 30 CFEDMN N#Cc1cc(F)ccc1CN1CCC[C@H](CCO)CC1 ZINC000421009470 397570783 /nfs/dbraw/zinc/57/07/83/397570783.db2.gz FEEPSCLLXOTTGT-ZDUSSCGKSA-N 0 1 276.355 2.682 20 30 CFEDMN COC[C@@H]1CCCCN1Cc1cc(C#N)ccc1F ZINC000307764063 397645498 /nfs/dbraw/zinc/64/54/98/397645498.db2.gz LBBPODBBEKOHBA-AWEZNQCLSA-N 0 1 262.328 2.698 20 30 CFEDMN C=CCCNC(=O)NC[C@H](c1ccco1)N1CCCCC1 ZINC000663433243 413201763 /nfs/dbraw/zinc/20/17/63/413201763.db2.gz MDWJYBBMZNLXAO-CQSZACIVSA-N 0 1 291.395 2.682 20 30 CFEDMN Cc1cccc2ncc(CNCc3cccc(C#N)c3)n21 ZINC000343273058 154164451 /nfs/dbraw/zinc/16/44/51/154164451.db2.gz QVMMSXPWVXNTAT-UHFFFAOYSA-N 0 1 276.343 2.804 20 30 CFEDMN Cc1cc(CN2C[C@@H](C)OC(C)(C)C2)ccc1C#N ZINC000362936089 156120367 /nfs/dbraw/zinc/12/03/67/156120367.db2.gz SZNVQIVTYPQJMT-CYBMUJFWSA-N 0 1 258.365 2.866 20 30 CFEDMN COc1cc(C#N)ccc1CN1CCOCC2(CCC2)C1 ZINC000363884458 156202774 /nfs/dbraw/zinc/20/27/74/156202774.db2.gz FJENRLZIMFPZCF-UHFFFAOYSA-N 0 1 286.375 2.569 20 30 CFEDMN N#Cc1cc(CN2CCCO[C@@H]3CCC[C@H]32)ccc1F ZINC000366934844 156256463 /nfs/dbraw/zinc/25/64/63/156256463.db2.gz DMJUEVMGDPMZMP-HZPDHXFCSA-N 0 1 274.339 2.841 20 30 CFEDMN N#Cc1c(CN2CCC3(CCO3)CC2)cn2ccccc12 ZINC000367098990 156282338 /nfs/dbraw/zinc/28/23/38/156282338.db2.gz JFPJYIMEPGLMLY-UHFFFAOYSA-N 0 1 281.359 2.566 20 30 CFEDMN COc1cc(CN2CCC[C@@H](n3cccn3)C2)ccc1C#N ZINC000374237327 157087105 /nfs/dbraw/zinc/08/71/05/157087105.db2.gz LJDODLGWYPBGDM-MRXNPFEDSA-N 0 1 296.374 2.600 20 30 CFEDMN C[C@@]1(NCc2ccc(F)cc2C#N)CCO[C@@H]1C1CC1 ZINC000374598415 157135888 /nfs/dbraw/zinc/13/58/88/157135888.db2.gz XGNGDWODNJFNPB-HZPDHXFCSA-N 0 1 274.339 2.745 20 30 CFEDMN C=CCCn1cc(CN2C[C@H](C)C[C@H](C)[C@H]2C)nn1 ZINC000653637299 413419682 /nfs/dbraw/zinc/41/96/82/413419682.db2.gz AQKBEALHANMNQE-HZSPNIEDSA-N 0 1 262.401 2.721 20 30 CFEDMN C=CCCn1cc(CN2CC3(CCC3)C[C@H]2C)nn1 ZINC000653643111 413423696 /nfs/dbraw/zinc/42/36/96/413423696.db2.gz BGSVCGKPRSMASU-CYBMUJFWSA-N 0 1 260.385 2.619 20 30 CFEDMN N#Cc1ccc(CN[C@H](CO)c2ccc(F)cc2)cc1 ZINC000344369701 162025915 /nfs/dbraw/zinc/02/59/15/162025915.db2.gz DHWYWUYNBUZWEL-MRXNPFEDSA-N 0 1 270.307 2.521 20 30 CFEDMN N#Cc1ccc(CN[C@@H](CO)c2ccc(F)cc2)cc1 ZINC000344369699 162026448 /nfs/dbraw/zinc/02/64/48/162026448.db2.gz DHWYWUYNBUZWEL-INIZCTEOSA-N 0 1 270.307 2.521 20 30 CFEDMN N#Cc1ccc(CNCCC(=O)Nc2ccccc2)c(F)c1 ZINC000344470533 162050443 /nfs/dbraw/zinc/05/04/43/162050443.db2.gz XSYDPJGNSGATAG-UHFFFAOYSA-N 0 1 297.333 2.816 20 30 CFEDMN COc1ccc(CN[C@@H](C)c2ccc(C#N)c(F)c2)cn1 ZINC000346207922 162351937 /nfs/dbraw/zinc/35/19/37/162351937.db2.gz WFUNZFLPBNWIGF-NSHDSACASA-N 0 1 285.322 2.952 20 30 CFEDMN N#Cc1cccc(CN2CCC(Oc3ccccn3)CC2)c1 ZINC000350562569 163091913 /nfs/dbraw/zinc/09/19/13/163091913.db2.gz VEUNPALGFQERCS-UHFFFAOYSA-N 0 1 293.370 2.997 20 30 CFEDMN CN(Cc1cccc(C#N)c1F)C[C@@H]1CCCC[C@H]1O ZINC000351244322 163122972 /nfs/dbraw/zinc/12/29/72/163122972.db2.gz AESQRIJKWQEGDU-DZGCQCFKSA-N 0 1 276.355 2.680 20 30 CFEDMN N#Cc1cccc(F)c1CC(=O)Nc1ccc2nc[nH]c2c1 ZINC000351642592 163163736 /nfs/dbraw/zinc/16/37/36/163163736.db2.gz XRTQZDTWVCINNK-UHFFFAOYSA-N 0 1 294.289 2.755 20 30 CFEDMN CCO[C@@H]1C[C@@H](NCc2nc(C#N)cs2)C12CCCC2 ZINC000352810166 163238244 /nfs/dbraw/zinc/23/82/44/163238244.db2.gz MDPRETPJBJXGNT-CHWSQXEVSA-N 0 1 291.420 2.842 20 30 CFEDMN CCC1(CC)[C@H](NCc2nc(C#N)cs2)C[C@@H]1OC ZINC000352811265 163238850 /nfs/dbraw/zinc/23/88/50/163238850.db2.gz RKSACPCYCPQCQD-NEPJUHHUSA-N 0 1 279.409 2.698 20 30 CFEDMN Cc1ccc(O[C@H](C)CNCc2nc(C#N)cs2)cc1 ZINC000352831409 163244607 /nfs/dbraw/zinc/24/46/07/163244607.db2.gz GZHQFXGHBVZWJA-GFCCVEGCSA-N 0 1 287.388 2.880 20 30 CFEDMN C[C@H](CCc1ccco1)NCc1nc(C#N)cs1 ZINC000352836874 163247968 /nfs/dbraw/zinc/24/79/68/163247968.db2.gz XQQMDJZAZPNFDD-SNVBAGLBSA-N 0 1 261.350 2.719 20 30 CFEDMN N#Cc1csc(CNCCc2cc(F)c(F)c(F)c2)n1 ZINC000352845166 163251169 /nfs/dbraw/zinc/25/11/69/163251169.db2.gz ZMGJOYTVXKQMPT-UHFFFAOYSA-N 0 1 297.305 2.764 20 30 CFEDMN CC(C)O[C@@H]1C[C@H](NCc2nc(C#N)cs2)C1(C)C ZINC000352863633 163255180 /nfs/dbraw/zinc/25/51/80/163255180.db2.gz VTNIGQWTMDZQJE-NWDGAFQWSA-N 0 1 279.409 2.696 20 30 CFEDMN N#Cc1ccc(CN2CC[C@H](COC(F)F)C2)cc1F ZINC000353029203 163291654 /nfs/dbraw/zinc/29/16/54/163291654.db2.gz PLQANTUGAXSMTM-NSHDSACASA-N 0 1 284.281 2.758 20 30 CFEDMN N#Cc1ccc(C(=O)Nc2cccc(C3CC3)n2)cc1O ZINC000353703279 163430219 /nfs/dbraw/zinc/43/02/19/163430219.db2.gz YJGVYMYOBUDLOH-UHFFFAOYSA-N 0 1 279.299 2.789 20 30 CFEDMN C=CCCn1cc(CNCC2(c3ccccc3C)CC2)nn1 ZINC000657343177 413471112 /nfs/dbraw/zinc/47/11/12/413471112.db2.gz KRAMWFARQXDCKK-UHFFFAOYSA-N 0 1 296.418 2.984 20 30 CFEDMN C=CC[C@@H]1CCCC[C@@H]1Nc1ncnc2[nH]cnc21 ZINC000664142793 413598004 /nfs/dbraw/zinc/59/80/04/413598004.db2.gz LBNZKFVYPQWBAF-MNOVXSKESA-N 0 1 257.341 2.900 20 30 CFEDMN C=CC[N@@H+](Cc1ccccc1F)[C@H](C(=O)[O-])C1CC1 ZINC000652400331 413921636 /nfs/dbraw/zinc/92/16/36/413921636.db2.gz MMABSKXHCKAMDL-AWEZNQCLSA-N 0 1 263.312 2.677 20 30 CFEDMN C=CCCn1cc(CNC[C@@H](OC)C2CCCCC2)nn1 ZINC000657781268 413924051 /nfs/dbraw/zinc/92/40/51/413924051.db2.gz CBWGMDDZJUSNEP-MRXNPFEDSA-N 0 1 292.427 2.539 20 30 CFEDMN C=CC[C@@H]1CCCN(Cc2cn3cccnc3n2)C1 ZINC000661378959 413937170 /nfs/dbraw/zinc/93/71/70/413937170.db2.gz PLIZOIJIYGYHEN-CYBMUJFWSA-N 0 1 256.353 2.517 20 30 CFEDMN C=CC[C@@H]1CCCN(Cc2nc(CC)cc(=O)[nH]2)C1 ZINC000661381478 413942017 /nfs/dbraw/zinc/94/20/17/413942017.db2.gz LTOSWBDUCSBKSO-GFCCVEGCSA-N 0 1 261.369 2.533 20 30 CFEDMN C=CC[C@@H]1CCC[N@@H+](Cc2nc(CC)cc(=O)[n-]2)C1 ZINC000661381478 413942026 /nfs/dbraw/zinc/94/20/26/413942026.db2.gz LTOSWBDUCSBKSO-GFCCVEGCSA-N 0 1 261.369 2.533 20 30 CFEDMN C=CC[C@@H]1CCC[N@H+](Cc2nc(CC)cc(=O)[n-]2)C1 ZINC000661381478 413942030 /nfs/dbraw/zinc/94/20/30/413942030.db2.gz LTOSWBDUCSBKSO-GFCCVEGCSA-N 0 1 261.369 2.533 20 30 CFEDMN C=CC[C@@H]1CCC[N@@H+]([C@@H](C)c2nc(C)cc(=O)[n-]2)C1 ZINC000661385375 413945530 /nfs/dbraw/zinc/94/55/30/413945530.db2.gz NZRGLRZVULMDIL-QWHCGFSZSA-N 0 1 261.369 2.840 20 30 CFEDMN C=CC[C@@H]1CCC[N@H+]([C@@H](C)c2nc(C)cc(=O)[n-]2)C1 ZINC000661385375 413945539 /nfs/dbraw/zinc/94/55/39/413945539.db2.gz NZRGLRZVULMDIL-QWHCGFSZSA-N 0 1 261.369 2.840 20 30 CFEDMN C=CCCNC(=O)NC[C@@H](c1ccc(Cl)cc1)N(C)C ZINC000661570569 414054819 /nfs/dbraw/zinc/05/48/19/414054819.db2.gz OYPGDEDHLUCNDN-AWEZNQCLSA-N 0 1 295.814 2.818 20 30 CFEDMN C=CCN(CC(=O)Nc1nc2c(s1)CCC2)C(C)(C)C ZINC000661759454 414197760 /nfs/dbraw/zinc/19/77/60/414197760.db2.gz GKFMUTIEGAJEFC-UHFFFAOYSA-N 0 1 293.436 2.857 20 30 CFEDMN C=CC[C@H](Cc1ccccc1)NC(=O)NCc1cc(C)[nH]n1 ZINC000665719446 414422120 /nfs/dbraw/zinc/42/21/20/414422120.db2.gz ZUQNDPMHWYFOCD-OAHLLOKOSA-N 0 1 298.390 2.705 20 30 CFEDMN C=C[C@H](CO)N[C@H](C)C(=O)Nc1ccccc1[C@H](C)CC ZINC000662167509 414441218 /nfs/dbraw/zinc/44/12/18/414441218.db2.gz GXVUCRKQOMTBFQ-MGPQQGTHSA-N 0 1 290.407 2.664 20 30 CFEDMN C=C(C)CCN1C[C@H](C)O[C@@H](CC(F)(F)F)C1 ZINC000662232725 414465677 /nfs/dbraw/zinc/46/56/77/414465677.db2.gz BSSKWBCETGYEDM-QWRGUYRKSA-N 0 1 251.292 2.994 20 30 CFEDMN C=CCN(Cc1ccccc1F)C[C@@H](OC)[C@@H]1CCOC1 ZINC000659850847 414585907 /nfs/dbraw/zinc/58/59/07/414585907.db2.gz CJOXZWJHGOYBCK-NVXWUHKLSA-N 0 1 293.382 2.865 20 30 CFEDMN C=CCN(Cc1ccccc1F)C[C@H](OC)[C@H]1CCOC1 ZINC000659850848 414586840 /nfs/dbraw/zinc/58/68/40/414586840.db2.gz CJOXZWJHGOYBCK-RDJZCZTQSA-N 0 1 293.382 2.865 20 30 CFEDMN C=CC[C@H]1CCCN(C(=O)[C@@H]2NCCc3ccccc32)C1 ZINC000662857218 414622592 /nfs/dbraw/zinc/62/25/92/414622592.db2.gz IIWHIUUDLPUVPM-WMLDXEAASA-N 0 1 284.403 2.688 20 30 CFEDMN C=CCN(Cc1ccccc1)C(=O)c1cc(C(C)(C)N)no1 ZINC000662498175 414553411 /nfs/dbraw/zinc/55/34/11/414553411.db2.gz PFRFTBFBIAIJRK-UHFFFAOYSA-N 0 1 299.374 2.697 20 30 CFEDMN C=CCN(CCN1C[C@@H](C)O[C@@H](C)C1)Cc1cccs1 ZINC000659816833 414566661 /nfs/dbraw/zinc/56/66/61/414566661.db2.gz VISVCNVJFBGVFX-GASCZTMLSA-N 0 1 294.464 2.845 20 30 CFEDMN C=CCCC1(CNC(=O)c2ccc(CN)o2)CCCC1 ZINC000662620104 414578653 /nfs/dbraw/zinc/57/86/53/414578653.db2.gz CCSUGQZYBSCXHP-UHFFFAOYSA-N 0 1 276.380 2.995 20 30 CFEDMN C=C(CC)Cn1cc([C@H](N)c2ccc(Cl)cc2)nn1 ZINC000656453835 414579767 /nfs/dbraw/zinc/57/97/67/414579767.db2.gz YUSDIFUPCHYKHP-CQSZACIVSA-N 0 1 276.771 2.946 20 30 CFEDMN C=CC[C@H]1CCCN(C(=O)[C@H](N)c2ccccc2C)C1 ZINC000662635947 414582255 /nfs/dbraw/zinc/58/22/55/414582255.db2.gz POFQBSTUIYIJEH-GOEBONIOSA-N 0 1 272.392 2.810 20 30 CFEDMN N#Cc1cccc(C(=O)C(C#N)c2nc3ccccc3[nH]2)c1 ZINC000046706224 175398350 /nfs/dbraw/zinc/39/83/50/175398350.db2.gz BNIVNEAHJPAHGW-ZDUSSCGKSA-N 0 1 286.294 2.925 20 30 CFEDMN C=C(C)CN(CC)C(=O)CN1CCCc2ccccc2C1 ZINC000171594436 335072372 /nfs/dbraw/zinc/07/23/72/335072372.db2.gz FKCHMARBDWFDOZ-UHFFFAOYSA-N 0 1 286.419 2.859 20 30 CFEDMN N#CCCCN(Cc1cccs1)[C@H]1C=C[C@@H](CO)C1 ZINC000347321886 226131579 /nfs/dbraw/zinc/13/15/79/226131579.db2.gz AUQSBFAXQUUYRW-KGLIPLIRSA-N 0 1 276.405 2.791 20 30 CFEDMN N#CCC(=O)N=c1cc(-c2cc(Cl)cc(Cl)c2)[nH][nH]1 ZINC000335818045 226875173 /nfs/dbraw/zinc/87/51/73/226875173.db2.gz FFBCAAYWZXMOQJ-UHFFFAOYSA-N 0 1 295.129 2.658 20 30 CFEDMN CCn1cc(C(=O)C(C#N)c2ccncn2)c2ccccc21 ZINC000354470414 227006426 /nfs/dbraw/zinc/00/64/26/227006426.db2.gz RLBMZSORBWDMDX-ZDUSSCGKSA-N 0 1 290.326 2.941 20 30 CFEDMN C[C@@H]1C[C@@H](C(=O)Nc2ccc3nc[nH]c3c2)CC(=O)N1 ZINC000329030573 227265349 /nfs/dbraw/zinc/26/53/49/227265349.db2.gz AVIQRZCTOLBGRW-RKDXNWHRSA-N 0 1 272.308 2.906 20 30 CFEDMN O=C(NCc1nc2ccccc2[nH]1)[C@H]1CCCN1C1CC1 ZINC000330232466 228074477 /nfs/dbraw/zinc/07/44/77/228074477.db2.gz XJYVEZJFAMIWQQ-CQSZACIVSA-N 0 1 284.363 2.646 20 30 CFEDMN O=C(CCc1nc[nH]n1)NC1(c2nccs2)CCCC1 ZINC000330253881 228081325 /nfs/dbraw/zinc/08/13/25/228081325.db2.gz OXFCBOUDKYXDGD-UHFFFAOYSA-N 0 1 291.380 2.620 20 30 CFEDMN O=C(Nc1ccc2nc[nH]c2c1)[C@@H]1CCCOCC1 ZINC000330272922 228088079 /nfs/dbraw/zinc/08/80/79/228088079.db2.gz YJRNMNFQTRXTKW-SNVBAGLBSA-N 0 1 259.309 2.968 20 30 CFEDMN C=CC[C@H](C)NC(=O)[C@H]1CCCN1Cc1ccccc1 ZINC000116855046 260005556 /nfs/dbraw/zinc/00/55/56/260005556.db2.gz XZFSKYVLYKOMNY-GOEBONIOSA-N 0 1 272.392 2.732 20 30 CFEDMN N#CCN(C(=O)c1ccc(O)c(Cl)c1)C1CCCC1 ZINC000080212431 260178402 /nfs/dbraw/zinc/17/84/02/260178402.db2.gz PFDIGVUGTNWNRV-UHFFFAOYSA-N 0 1 278.739 2.954 20 30 CFEDMN C[N@@H+](CCn1cc(Cl)cn1)Cc1cccc(C#N)c1 ZINC000312896622 260219645 /nfs/dbraw/zinc/21/96/45/260219645.db2.gz QGYLFFKBMAOCMT-UHFFFAOYSA-N 0 1 274.755 2.540 20 30 CFEDMN CC[C@H](C#N)S(=O)(=O)Nc1cccc2ccccc21 ZINC000088474730 260232897 /nfs/dbraw/zinc/23/28/97/260232897.db2.gz OCQOEOBLKUHBKD-GFCCVEGCSA-N 0 1 274.345 2.884 20 30 CFEDMN C[C@@H](N[C@H](C)c1cccc(Cl)c1)C(=O)N(C)CCC#N ZINC000070786564 260270001 /nfs/dbraw/zinc/27/00/01/260270001.db2.gz YICUYOVKYZXXBG-VXGBXAGGSA-N 0 1 293.798 2.751 20 30 CFEDMN N#CCCN1CCC[C@@H](c2nc(C3CCCCC3)n[nH]2)C1 ZINC000408129592 260272070 /nfs/dbraw/zinc/27/20/70/260272070.db2.gz ATJUGQBBGMIJIS-CQSZACIVSA-N 0 1 287.411 2.945 20 30 CFEDMN N#CCCN1CCC[C@@H](c2n[nH]c(C3CCCCC3)n2)C1 ZINC000408129592 260272072 /nfs/dbraw/zinc/27/20/72/260272072.db2.gz ATJUGQBBGMIJIS-CQSZACIVSA-N 0 1 287.411 2.945 20 30 CFEDMN CCSCCN1CCN([C@H](C#N)c2ccccc2)CC1 ZINC000080908057 260325192 /nfs/dbraw/zinc/32/51/92/260325192.db2.gz SHIBASGDAKRTAA-MRXNPFEDSA-N 0 1 289.448 2.622 20 30 CFEDMN C[C@@H](CC#N)N(C)C(=O)c1cc(C2CCCCC2)[nH]n1 ZINC000129549998 260839310 /nfs/dbraw/zinc/83/93/10/260839310.db2.gz PJSWWABKCIWYTD-NSHDSACASA-N 0 1 274.368 2.832 20 30 CFEDMN CCN(CC(=O)N[C@H](C#N)c1ccc(Cl)cc1)C1CC1 ZINC000152307857 261062589 /nfs/dbraw/zinc/06/25/89/261062589.db2.gz SASQZVGGOUCQPY-CQSZACIVSA-N 0 1 291.782 2.505 20 30 CFEDMN C#CCN1CCC(C(=O)OC/C=C/c2ccccc2)CC1 ZINC000490873312 261233638 /nfs/dbraw/zinc/23/36/38/261233638.db2.gz IIJLYZXRFOXVDN-RMKNXTFCSA-N 0 1 283.371 2.588 20 30 CFEDMN C[C@H]1CCC[C@H](C)N1CC(=O)N(C)C1(C#N)CCCCC1 ZINC000104078372 261290140 /nfs/dbraw/zinc/29/01/40/261290140.db2.gz AFDCQJYJHHHOGA-GJZGRUSLSA-N 0 1 291.439 2.934 20 30 CFEDMN C=C(Cl)CN[C@H](C)c1ccc(OCC#N)cc1 ZINC000164632485 261355935 /nfs/dbraw/zinc/35/59/35/261355935.db2.gz JBJWVIWIFDWHRI-LLVKDONJSA-N 0 1 250.729 2.992 20 30 CFEDMN CCCN(CC(=O)N(CCC#N)c1ccccc1)C1CC1 ZINC000171682893 261476937 /nfs/dbraw/zinc/47/69/37/261476937.db2.gz TWQSNPFERLSTAQ-UHFFFAOYSA-N 0 1 285.391 2.808 20 30 CFEDMN C=C[C@H](CC(=O)Nc1nnc(CC)[nH]1)c1ccccc1 ZINC000182247697 262102000 /nfs/dbraw/zinc/10/20/00/262102000.db2.gz LSEJBCQNYHJGPP-LLVKDONJSA-N 0 1 270.336 2.666 20 30 CFEDMN C=C[C@H](CC(=O)Nc1nc(CC)n[nH]1)c1ccccc1 ZINC000182247697 262102002 /nfs/dbraw/zinc/10/20/02/262102002.db2.gz LSEJBCQNYHJGPP-LLVKDONJSA-N 0 1 270.336 2.666 20 30 CFEDMN N#CCCCOc1cccc(NC(=O)CCc2cnc[nH]2)c1 ZINC000188681491 262160029 /nfs/dbraw/zinc/16/00/29/262160029.db2.gz VSBGZRPDOOWLPM-UHFFFAOYSA-N 0 1 298.346 2.664 20 30 CFEDMN CC(C)c1[nH]ncc1C(=O)Nc1ccc(CC#N)cc1 ZINC000188983326 262165107 /nfs/dbraw/zinc/16/51/07/262165107.db2.gz ZDHXXYFKZBIVRY-UHFFFAOYSA-N 0 1 268.320 2.851 20 30 CFEDMN N#Cc1ccc(C(=O)Nc2ccc(F)cc2F)cc1O ZINC000188213797 262284435 /nfs/dbraw/zinc/28/44/35/262284435.db2.gz SUZKPMHKGOFZPO-UHFFFAOYSA-N 0 1 274.226 2.794 20 30 CFEDMN CC#CCCSc1nc(-c2ccccc2O)n[nH]1 ZINC000184901070 262300360 /nfs/dbraw/zinc/30/03/60/262300360.db2.gz XZFIAKKMIYSMQX-UHFFFAOYSA-N 0 1 259.334 2.683 20 30 CFEDMN COc1cc(CNCc2ccnc(C)c2)ccc1C#N ZINC000391146600 262383657 /nfs/dbraw/zinc/38/36/57/262383657.db2.gz UMEQIFOAHSICRJ-UHFFFAOYSA-N 0 1 267.332 2.560 20 30 CFEDMN COC(=O)c1ccc(CN(C)CCC(C)(C)C#N)cc1 ZINC000272000220 263001144 /nfs/dbraw/zinc/00/11/44/263001144.db2.gz HNFUMWJFZNMYCE-UHFFFAOYSA-N 0 1 274.364 2.845 20 30 CFEDMN COc1cc(CN2CCC(C)(C#N)CC2)cc(OC)c1 ZINC000272518849 263005652 /nfs/dbraw/zinc/00/56/52/263005652.db2.gz KSUPKQVCRHQMRI-UHFFFAOYSA-N 0 1 274.364 2.829 20 30 CFEDMN N#C[C@H](CCc1ccccc1)c1nc(C2(N)CCC2)no1 ZINC000414624913 263015139 /nfs/dbraw/zinc/01/51/39/263015139.db2.gz HMNFERHTZQZAPR-ZDUSSCGKSA-N 0 1 282.347 2.647 20 30 CFEDMN Cc1[nH]ncc1CNC(=O)N[C@@H](CCC#N)c1ccccc1 ZINC000274568037 263026642 /nfs/dbraw/zinc/02/66/42/263026642.db2.gz HBIIVSLFYMZXFU-HNNXBMFYSA-N 0 1 297.362 2.562 20 30 CFEDMN CCC(N)=NOCc1cncc(OCc2ccccc2)c1 ZINC000278264156 263046240 /nfs/dbraw/zinc/04/62/40/263046240.db2.gz OCBOUTOKJPWVIZ-UHFFFAOYSA-N 0 1 285.347 2.859 20 30 CFEDMN C[C@@H](NCCCC#N)c1ccc(Br)cn1 ZINC000279919018 263058317 /nfs/dbraw/zinc/05/83/17/263058317.db2.gz ACOONVLOELVTGQ-SECBINFHSA-N 0 1 268.158 2.798 20 30 CFEDMN Cc1nn(C(C)C)cc1CNCc1ccc(OCC#N)cc1 ZINC000281538085 263070040 /nfs/dbraw/zinc/07/00/40/263070040.db2.gz ZBVFMVTULDNPTC-UHFFFAOYSA-N 0 1 298.390 2.965 20 30 CFEDMN CC(C)SCCON=C(N)c1ccc(N(C)C)cc1 ZINC000282266478 263075514 /nfs/dbraw/zinc/07/55/14/263075514.db2.gz OEWWVUVFIFJRDB-UHFFFAOYSA-N 0 1 281.425 2.531 20 30 CFEDMN CC(C)(C)c1nc(CN(CCC#N)Cc2ccco2)n[nH]1 ZINC000292683188 263133682 /nfs/dbraw/zinc/13/36/82/263133682.db2.gz RFZORNZFWLALBG-UHFFFAOYSA-N 0 1 287.367 2.611 20 30 CFEDMN N#CCCOCCN1CC[C@H](Oc2ccccc2Cl)C1 ZINC000293704841 263147509 /nfs/dbraw/zinc/14/75/09/263147509.db2.gz DEKHNBOQMOXUKG-ZDUSSCGKSA-N 0 1 294.782 2.723 20 30 CFEDMN Cc1ccc([C@H](C)N(C)CC(=O)N[C@](C)(C#N)C2CC2)cc1 ZINC000298588130 263222337 /nfs/dbraw/zinc/22/23/37/263222337.db2.gz QQECZFIFVLLTPV-KBXCAEBGSA-N 0 1 299.418 2.796 20 30 CFEDMN C=CCN(C)[C@H](C)C(=O)N[C@H](C)c1ccc(F)cc1 ZINC000121338527 263291045 /nfs/dbraw/zinc/29/10/45/263291045.db2.gz WUSAHXMUFSZIIO-VXGBXAGGSA-N 0 1 264.344 2.509 20 30 CFEDMN C=CCN(C)Cc1cc(Cl)c2c(c1)OCCO2 ZINC000121556244 263294399 /nfs/dbraw/zinc/29/43/99/263294399.db2.gz YYLGALVWAYSBKA-UHFFFAOYSA-N 0 1 253.729 2.729 20 30 CFEDMN C#CCN1CCC(C(=O)N2CCCc3cccc(C)c32)CC1 ZINC000122378217 263302145 /nfs/dbraw/zinc/30/21/45/263302145.db2.gz JAFYHABHVOBMEN-UHFFFAOYSA-N 0 1 296.414 2.619 20 30 CFEDMN C[C@H]1C[C@@H](O)CN1CC#Cc1ccc(C(F)(F)F)cc1 ZINC000340913800 263314668 /nfs/dbraw/zinc/31/46/68/263314668.db2.gz GZLFYOQSXYZFBK-SMDDNHRTSA-N 0 1 283.293 2.512 20 30 CFEDMN C=C1CCN([C@H](C)C(=O)N(C(C)C)C(C)C)CC1 ZINC000341993916 263373071 /nfs/dbraw/zinc/37/30/71/263373071.db2.gz NCBWVTKETKPAMD-CQSZACIVSA-N 0 1 252.402 2.672 20 30 CFEDMN C=CCCCN(C)C(=O)NCc1nc2ccc(C)cc2[nH]1 ZINC000342111665 263389264 /nfs/dbraw/zinc/38/92/64/263389264.db2.gz LQKPNQMTVCWLHV-UHFFFAOYSA-N 0 1 286.379 2.979 20 30 CFEDMN C=CC[C@@H](C)NC(=O)NCc1nc2ccc(C)cc2[nH]1 ZINC000342141954 263398559 /nfs/dbraw/zinc/39/85/59/263398559.db2.gz WZYFBEQEPCZZKZ-LLVKDONJSA-N 0 1 272.352 2.635 20 30 CFEDMN C[C@@H](CF)NCc1cccc(OCCCC#N)c1 ZINC000342193988 263398865 /nfs/dbraw/zinc/39/88/65/263398865.db2.gz BFSPYHIMWIZEHP-LBPRGKRZSA-N 0 1 250.317 2.817 20 30 CFEDMN CC(C)(CCC#N)CNC(=O)c1cc2[nH]cnc2cc1F ZINC000425302656 263807761 /nfs/dbraw/zinc/80/77/61/263807761.db2.gz JIHSQJDOEYQTFT-UHFFFAOYSA-N 0 1 288.326 2.762 20 30 CFEDMN C#Cc1ccc(NC(=O)N[C@H]2CCCc3cn[nH]c32)cc1 ZINC000934931790 649857342 /nfs/dbraw/zinc/85/73/42/649857342.db2.gz RJQJZHQWZCRSRI-AWEZNQCLSA-N 0 1 280.331 2.590 20 30 CFEDMN Cc1cnc(C(=O)Nc2nnc(C(C)(C)C)s2)c(O)c1 ZINC000330871931 264059183 /nfs/dbraw/zinc/05/91/83/264059183.db2.gz GLXHHLCEUZEQQR-UHFFFAOYSA-N 0 1 292.364 2.881 20 30 CFEDMN C[C@@H](Cn1cccn1)NC([O-])=[NH+]C(C)(C)CC(C)(C)C ZINC000330966355 264090781 /nfs/dbraw/zinc/09/07/81/264090781.db2.gz CVERTHIUGABYPI-LBPRGKRZSA-N 0 1 280.416 2.990 20 30 CFEDMN C[C@@H](Cn1cccn1)[NH+]=C([O-])NC(C)(C)CC(C)(C)C ZINC000330966355 264090782 /nfs/dbraw/zinc/09/07/82/264090782.db2.gz CVERTHIUGABYPI-LBPRGKRZSA-N 0 1 280.416 2.990 20 30 CFEDMN CC(C)C[C@@H]1CCN(C([O-])=[NH+][C@H](C)Cn2cccn2)C1 ZINC000330933661 264097520 /nfs/dbraw/zinc/09/75/20/264097520.db2.gz DZTPGBQNRBVUAX-KGLIPLIRSA-N 0 1 278.400 2.554 20 30 CFEDMN CCc1occc1C(=O)NC[C@H]1CN(CC(C)C)CCO1 ZINC000331195389 264158808 /nfs/dbraw/zinc/15/88/08/264158808.db2.gz TWDLDUZATRUBLP-ZDUSSCGKSA-N 0 1 294.395 2.503 20 30 CFEDMN CCC[N@H+]1CCC[C@H]1CNC(=O)c1c([O-])cccc1F ZINC000331234827 264174690 /nfs/dbraw/zinc/17/46/90/264174690.db2.gz KSJZZMFQPXPAMS-NSHDSACASA-N 0 1 280.343 2.710 20 30 CFEDMN C=CC(C)(C)C(=O)N[C@@H](C)c1n[nH]c([C@H](C)CC)n1 ZINC000331318155 264188644 /nfs/dbraw/zinc/18/86/44/264188644.db2.gz JVFHKJCLSOJOTP-ZJUUUORDSA-N 0 1 264.373 2.708 20 30 CFEDMN C=C(C)C(C)(C)C(=O)N1CCN([C@H](C)CC)CC1 ZINC000424870197 264257529 /nfs/dbraw/zinc/25/75/29/264257529.db2.gz KPCZAHPNCTUALG-CYBMUJFWSA-N 0 1 252.402 2.531 20 30 CFEDMN Cc1csc(C(C#N)=C([O-])c2cc(C(C)C)nn2C)n1 ZINC000080251889 264392095 /nfs/dbraw/zinc/39/20/95/264392095.db2.gz YOZJNXQVHCHVOU-SNVBAGLBSA-N 0 1 288.376 2.799 20 30 CFEDMN Cc1csc(C(C#N)C(=O)c2cc(C(C)C)nn2C)n1 ZINC000080251889 264392096 /nfs/dbraw/zinc/39/20/96/264392096.db2.gz YOZJNXQVHCHVOU-SNVBAGLBSA-N 0 1 288.376 2.799 20 30 CFEDMN CCN(CC(=O)N(CC)[C@H](C)c1ccc(C#N)cc1)C1CC1 ZINC000192847434 266104486 /nfs/dbraw/zinc/10/44/86/266104486.db2.gz GXHSYQUUIVPMIO-CQSZACIVSA-N 0 1 299.418 2.952 20 30 CFEDMN C=CCCC1(C(=O)N[C@@H](C)Cc2cc(C)[nH]n2)CC1 ZINC000356467810 266119772 /nfs/dbraw/zinc/11/97/72/266119772.db2.gz PCAAFKLHOAPQDA-NSHDSACASA-N 0 1 261.369 2.512 20 30 CFEDMN C=C(CC)CN1CCN(Cc2csc(CC)n2)CC1 ZINC000358503222 266470063 /nfs/dbraw/zinc/47/00/63/266470063.db2.gz XUNLLRHIUYOJCU-UHFFFAOYSA-N 0 1 279.453 2.789 20 30 CFEDMN C=C(C)[C@H]1OCC[C@@H]1C(=O)Nc1ccc2nc(C)[nH]c2c1 ZINC000362533492 267003435 /nfs/dbraw/zinc/00/34/35/267003435.db2.gz MQJMYLNZTANCBW-SWLSCSKDSA-N 0 1 285.347 2.791 20 30 CFEDMN C[C@@H]1CC[C@@H](O)CN1Cc1ccc(C#N)cc1Cl ZINC000399214544 267027996 /nfs/dbraw/zinc/02/79/96/267027996.db2.gz SQSQACZCHNGHJQ-ZWNOBZJWSA-N 0 1 264.756 2.557 20 30 CFEDMN C=CCCCCCN1Cc2ccccc2C[C@@H]1C(N)=O ZINC000362959341 267067500 /nfs/dbraw/zinc/06/75/00/267067500.db2.gz XXLBYRGMXAEHMQ-MRXNPFEDSA-N 0 1 272.392 2.645 20 30 CFEDMN N#CCCCN1Cc2ccccc2[C@@H](n2cccn2)C1 ZINC000363232901 267081374 /nfs/dbraw/zinc/08/13/74/267081374.db2.gz ZBQRNBCQECNFFT-INIZCTEOSA-N 0 1 266.348 2.592 20 30 CFEDMN Clc1ccc(C#CCN2CCC[C@]23CCOC3)cc1 ZINC000367450093 267090923 /nfs/dbraw/zinc/09/09/23/267090923.db2.gz NPQVIUUJBCLAFA-MRXNPFEDSA-N 0 1 275.779 2.946 20 30 CFEDMN CCO[C@@]1(C)C[C@H]1N[C@H](C)c1ccc(C#N)cc1F ZINC000527983007 267155367 /nfs/dbraw/zinc/15/53/67/267155367.db2.gz WLNVWIGTHQYKBW-KMUNFCNLSA-N 0 1 262.328 2.915 20 30 CFEDMN C[C@H]1CN(c2ccnc(C#N)c2)CCN1Cc1ccccc1 ZINC000396411788 267239176 /nfs/dbraw/zinc/23/91/76/267239176.db2.gz MMKWJWLLLVJLIU-HNNXBMFYSA-N 0 1 292.386 2.664 20 30 CFEDMN CC#CCN[C@H](C)c1cnn(Cc2ccccc2)c1 ZINC000119405976 267332463 /nfs/dbraw/zinc/33/24/63/267332463.db2.gz LWRFMOSIGRLBCW-CQSZACIVSA-N 0 1 253.349 2.605 20 30 CFEDMN Cn1ccnc1[C@H]1CCCN(CC#Cc2ccccc2)C1 ZINC000377265043 268061040 /nfs/dbraw/zinc/06/10/40/268061040.db2.gz CKPJSWIMTIWPRH-KRWDZBQOSA-N 0 1 279.387 2.651 20 30 CFEDMN N#Cc1ccc(CN2CCSC[C@H]2C2CCC2)nc1 ZINC000517391578 268222833 /nfs/dbraw/zinc/22/28/33/268222833.db2.gz OOVFQYVLTBYBEG-HNNXBMFYSA-N 0 1 273.405 2.671 20 30 CFEDMN Cc1cc(-c2nccc3[nH]cc(C#N)c32)ccc1CO ZINC001243188846 782048923 /nfs/dbraw/zinc/04/89/23/782048923.db2.gz NEYZFXKXJHNTFP-UHFFFAOYSA-N 0 1 263.300 2.902 20 30 CFEDMN C[C@@H](NCc1cccc(N(C)C)n1)c1ccc(C#N)cc1 ZINC000163140082 274252333 /nfs/dbraw/zinc/25/23/33/274252333.db2.gz ZPFQFVMNRHUDHI-CYBMUJFWSA-N 0 1 280.375 2.870 20 30 CFEDMN C[C@@H](N[C@H](CO)CC(F)(F)F)c1ccc(C#N)cc1 ZINC000344279330 274260922 /nfs/dbraw/zinc/26/09/22/274260922.db2.gz FAPWPUGQYOLMEL-SKDRFNHKSA-N 0 1 272.270 2.522 20 30 CFEDMN Cc1ccnc(NC[C@@H](c2ccco2)N(C)C)c1C#N ZINC000273065315 274818251 /nfs/dbraw/zinc/81/82/51/274818251.db2.gz UFTGARYVEBTVMO-ZDUSSCGKSA-N 0 1 270.336 2.570 20 30 CFEDMN O[C@H]1CCCN(CC#Cc2ccc(C(F)(F)F)cc2)C1 ZINC000177228078 275058602 /nfs/dbraw/zinc/05/86/02/275058602.db2.gz ZUXFIZBZMVKLEY-AWEZNQCLSA-N 0 1 283.293 2.514 20 30 CFEDMN C(#Cc1ccccc1)CN1CCSC2(CCOCC2)C1 ZINC000192193111 275388624 /nfs/dbraw/zinc/38/86/24/275388624.db2.gz WZFALTMAPBPYNQ-UHFFFAOYSA-N 0 1 287.428 2.636 20 30 CFEDMN C=C[C@H](CO)N[C@@H]1CCCc2ncc(C(F)(F)F)cc21 ZINC000353566538 275438342 /nfs/dbraw/zinc/43/83/42/275438342.db2.gz LXHLGUXCOFDAIP-ZWNOBZJWSA-N 0 1 286.297 2.614 20 30 CFEDMN CCN1CCN(c2ccc(C(F)(F)F)c(C#N)c2)CC1 ZINC000154077963 276388162 /nfs/dbraw/zinc/38/81/62/276388162.db2.gz UAQXKPFYLBMJIW-UHFFFAOYSA-N 0 1 283.297 2.719 20 30 CFEDMN C[C@@H]1C[C@H]2CCCC[C@@H]2N1Cc1ncc(C#N)cn1 ZINC000331925390 278036687 /nfs/dbraw/zinc/03/66/87/278036687.db2.gz HXFVGHTVNBMXAM-BNOWGMLFSA-N 0 1 256.353 2.501 20 30 CFEDMN CC1(C)CCC[C@H](NC(=O)[C@H]2CCc3[nH]nnc3C2)C1 ZINC000329030528 278237867 /nfs/dbraw/zinc/23/78/67/278237867.db2.gz LFOXJJMVERFICH-QWRGUYRKSA-N 0 1 276.384 2.835 20 30 CFEDMN CC1(C)CCC[C@H](NC(=O)[C@H]2CCc3nn[nH]c3C2)C1 ZINC000329030528 278237869 /nfs/dbraw/zinc/23/78/69/278237869.db2.gz LFOXJJMVERFICH-QWRGUYRKSA-N 0 1 276.384 2.835 20 30 CFEDMN CC(C)n1cc(C#N)c(=NC(=O)[C@@H]2CC3CCC2CC3)[nH]1 ZINC000334514530 280763085 /nfs/dbraw/zinc/76/30/85/280763085.db2.gz ZGNISVSWEZWBGL-ORHYLEIMSA-N 0 1 286.379 2.522 20 30 CFEDMN CC(=Cc1ccc(F)cc1C)c1nc(C)c(C#N)c(=O)[nH]1 ZINC000193608835 280915551 /nfs/dbraw/zinc/91/55/51/280915551.db2.gz DSPRREJZSDKJDG-POHAHGRESA-N 0 1 283.306 2.958 20 30 CFEDMN Cc1ccc2c(c1)nc(CN[C@H]1CC[C@@H](C#N)C1)n2C ZINC000335679657 281131494 /nfs/dbraw/zinc/13/14/94/281131494.db2.gz ZIEYQGGUWZRJSL-OLZOCXBDSA-N 0 1 268.364 2.664 20 30 CFEDMN N#Cc1ccc(N[C@@H]2CCCC[C@@H]2N2CCOCC2)cc1 ZINC000532422057 281453846 /nfs/dbraw/zinc/45/38/46/281453846.db2.gz YFIFHDIEGFZKJQ-SJORKVTESA-N 0 1 285.391 2.614 20 30 CFEDMN CCCCCNC(=O)[C@H](C)N[C@H](C)c1ccc(C#N)cc1 ZINC000037502344 289822476 /nfs/dbraw/zinc/82/24/76/289822476.db2.gz DBPTYQIKMUQBCZ-KGLIPLIRSA-N 0 1 287.407 2.904 20 30 CFEDMN N#Cc1ccc(CN[C@@H](CCCO)c2ccccc2)nc1 ZINC000566415632 290380955 /nfs/dbraw/zinc/38/09/55/290380955.db2.gz HMZFYFGTBNXACM-KRWDZBQOSA-N 0 1 281.359 2.557 20 30 CFEDMN N#Cc1ccc(C[N@H+]2[C@H](C(=O)[O-])C[C@H]3CCCC[C@@H]32)s1 ZINC000263491153 303191021 /nfs/dbraw/zinc/19/10/21/303191021.db2.gz INDZKJKHAZNPNB-SWHYSGLUSA-N 0 1 290.388 2.837 20 30 CFEDMN N#Cc1ccc(C[N@@H+]2[C@@H]3CCCC[C@H]3C[C@H]2C(=O)[O-])s1 ZINC000263491149 303191164 /nfs/dbraw/zinc/19/11/64/303191164.db2.gz INDZKJKHAZNPNB-GDLCADMTSA-N 0 1 290.388 2.837 20 30 CFEDMN N#Cc1csc(C[N@@H+]2[C@@H]3CCCC[C@@H]3C[C@H]2C(=O)[O-])c1 ZINC000263505921 303214985 /nfs/dbraw/zinc/21/49/85/303214985.db2.gz MBVANQYGPXKZRW-BNOWGMLFSA-N 0 1 290.388 2.837 20 30 CFEDMN C#CCC[N@@H+]1CC[C@@H]1CN(C)C(=O)C1CCCCCC1 ZINC001085510183 782084534 /nfs/dbraw/zinc/08/45/34/782084534.db2.gz OPCWTBGSXZPKRZ-MRXNPFEDSA-N 0 1 276.424 2.513 20 30 CFEDMN C#CCCN1CC[C@@H]1CN(C)C(=O)C1CCCCCC1 ZINC001085510183 782084545 /nfs/dbraw/zinc/08/45/45/782084545.db2.gz OPCWTBGSXZPKRZ-MRXNPFEDSA-N 0 1 276.424 2.513 20 30 CFEDMN C=CCCC[C@@H](C)[N@H+]1CCC[C@](COC)(C(=O)[O-])C1 ZINC000563290406 328009742 /nfs/dbraw/zinc/00/97/42/328009742.db2.gz UKXCLKDNXHHZPB-HIFRSBDPSA-N 0 1 269.385 2.544 20 30 CFEDMN CC#CCN1CCC(F)(c2cc(OC)cc(OC)c2)CC1 ZINC000563472422 328068529 /nfs/dbraw/zinc/06/85/29/328068529.db2.gz QNYGOSMWXJCDTG-UHFFFAOYSA-N 0 1 291.366 2.988 20 30 CFEDMN C=CCN1CC[C@H](N(C)CCC2(C#N)CCCCC2)C1=O ZINC000411666856 328098082 /nfs/dbraw/zinc/09/80/82/328098082.db2.gz HLQAEIIAOAIBMI-HNNXBMFYSA-N 0 1 289.423 2.569 20 30 CFEDMN CCOc1ccc(NC(=O)CCN[C@@H](CC)CC#N)cc1 ZINC000571414794 328120157 /nfs/dbraw/zinc/12/01/57/328120157.db2.gz ZKNVIGISTGHIQV-ZDUSSCGKSA-N 0 1 289.379 2.696 20 30 CFEDMN CC(C)(CC#N)CN=c1nc(-c2ccccc2)[nH]s1 ZINC000413412221 328145881 /nfs/dbraw/zinc/14/58/81/328145881.db2.gz RYXIPAWGNJQQCE-UHFFFAOYSA-N 0 1 272.377 2.979 20 30 CFEDMN CCC(N)=NOCc1csc(CCC(C)C)n1 ZINC000267014067 328171464 /nfs/dbraw/zinc/17/14/64/328171464.db2.gz NXAHNLWSYJAONS-UHFFFAOYSA-N 0 1 255.387 2.931 20 30 CFEDMN C=C(C)CN(C)[C@H](C)C(=O)NCc1ccc(C)cc1 ZINC000181331099 329231587 /nfs/dbraw/zinc/23/15/87/329231587.db2.gz OXQKNCCBOFQERY-CQSZACIVSA-N 0 1 260.381 2.508 20 30 CFEDMN CN(Cc1cc(Cl)cn1C)[C@@H]1CC[C@H](C#N)C1 ZINC000292937752 328273983 /nfs/dbraw/zinc/27/39/83/328273983.db2.gz ZREYJYWDFYTSOT-CMPLNLGQSA-N 0 1 251.761 2.803 20 30 CFEDMN Cc1nc2c(n1Cc1ccc(C#N)cc1)CCCC2 ZINC000160708182 322341943 /nfs/dbraw/zinc/34/19/43/322341943.db2.gz NALKQHMLTYHQRJ-UHFFFAOYSA-N 0 1 251.333 2.990 20 30 CFEDMN C[C@@H](NCc1ccc(C#N)cn1)[C@H]1OCCc2sccc21 ZINC000569500449 322477509 /nfs/dbraw/zinc/47/75/09/322477509.db2.gz JPJHKIOZYIHGKJ-BDJLRTHQSA-N 0 1 299.399 2.807 20 30 CFEDMN Cc1ncncc1[C@H](C)NCc1ccc(C#N)c(F)c1 ZINC000571536420 322587139 /nfs/dbraw/zinc/58/71/39/322587139.db2.gz HTIUPZHXDHSNQJ-JTQLQIEISA-N 0 1 270.311 2.647 20 30 CFEDMN CNC(=O)c1cccc(CN[C@@H](C)c2ccc(C#N)cc2)c1 ZINC000173893313 323637937 /nfs/dbraw/zinc/63/79/37/323637937.db2.gz AERYEYNFVMTUBT-ZDUSSCGKSA-N 0 1 293.370 2.769 20 30 CFEDMN Cc1cccc2c1N(C(=O)c1ccc(C#N)c(O)c1)CC2 ZINC000188755848 324020018 /nfs/dbraw/zinc/02/00/18/324020018.db2.gz FIJNIKBBEYUGHJ-UHFFFAOYSA-N 0 1 278.311 2.775 20 30 CFEDMN CC(=Cc1ccc(C)c(F)c1)c1nc(C)c(C#N)c(=O)[nH]1 ZINC000193614433 324075085 /nfs/dbraw/zinc/07/50/85/324075085.db2.gz AWJUYQZGSGXQCT-POHAHGRESA-N 0 1 283.306 2.958 20 30 CFEDMN CC1(CN2CCN(c3cccc(F)c3C#N)CC2)CC1 ZINC000579425907 324948341 /nfs/dbraw/zinc/94/83/41/324948341.db2.gz MGKQHJOUOHIGSU-UHFFFAOYSA-N 0 1 273.355 2.619 20 30 CFEDMN N#Cc1csc(CNCC2(c3ccccn3)CCC2)n1 ZINC000580261990 325019847 /nfs/dbraw/zinc/01/98/47/325019847.db2.gz DTNYDVWBAVCTCX-UHFFFAOYSA-N 0 1 284.388 2.621 20 30 CFEDMN C[C@@H](CNC[C@@H](C#N)CCC#N)N(C)c1ccccc1 ZINC000563805222 328519742 /nfs/dbraw/zinc/51/97/42/328519742.db2.gz DCYUTKUOYCRGOW-LSDHHAIUSA-N 0 1 270.380 2.544 20 30 CFEDMN COc1cc(CN2CC[C@@H](OC(C)C)C2)ccc1C#N ZINC000584053258 325327398 /nfs/dbraw/zinc/32/73/98/325327398.db2.gz DSLCDCXTPLAFTP-OAHLLOKOSA-N 0 1 274.364 2.566 20 30 CFEDMN N#Cc1ccc2c(c1)[C@@H](N[C@H]1CCCc3c[nH]nc31)CC2 ZINC000584083065 325329012 /nfs/dbraw/zinc/32/90/12/325329012.db2.gz ZVSYUCKVEMBAKH-HOTGVXAUSA-N 0 1 278.359 2.936 20 30 CFEDMN C=CCN(CCc1ccccc1)C(=O)[C@H](C)N1CC(C)C1 ZINC000557575565 327013946 /nfs/dbraw/zinc/01/39/46/327013946.db2.gz INBZBVVXEKMREX-INIZCTEOSA-N 0 1 286.419 2.584 20 30 CFEDMN C=CCOCC[N@@H+](CC(=O)[O-])[C@@H](CC)c1ccccc1 ZINC000565962657 327099111 /nfs/dbraw/zinc/09/91/11/327099111.db2.gz XVYVPNWCZDUQFM-HNNXBMFYSA-N 0 1 277.364 2.727 20 30 CFEDMN N#CCC1(CNCc2nccn2-c2ccccc2)CC1 ZINC000559303660 327157444 /nfs/dbraw/zinc/15/74/44/327157444.db2.gz JVJUGGCVMIOENA-UHFFFAOYSA-N 0 1 266.348 2.656 20 30 CFEDMN N#CCSCCCN1CCc2cc(F)ccc2C1 ZINC000091890525 327186896 /nfs/dbraw/zinc/18/68/96/327186896.db2.gz NCYLXWRATZCQLR-UHFFFAOYSA-N 0 1 264.369 2.831 20 30 CFEDMN C=CC1CCN(C(=O)NC[C@H]2[N@@H+](C)CCCC2(C)C)CC1 ZINC000448035140 327296226 /nfs/dbraw/zinc/29/62/26/327296226.db2.gz NRHNLLJOLPTNHQ-OAHLLOKOSA-N 0 1 293.455 2.714 20 30 CFEDMN C=CCC(CC=C)C(=O)N1CCN(C)C[C@H]1C(C)C ZINC000150802332 327381027 /nfs/dbraw/zinc/38/10/27/327381027.db2.gz SSTGMBWGWDXETO-HNNXBMFYSA-N 0 1 264.413 2.553 20 30 CFEDMN C#CCN1CCC(C(=O)N2CCC[C@@H]2CCC(C)C)CC1 ZINC000155476961 327392841 /nfs/dbraw/zinc/39/28/41/327392841.db2.gz MGEZKUGTBBKEFM-QGZVFWFLSA-N 0 1 290.451 2.759 20 30 CFEDMN CC[C@@H](CC#N)NC[C@H](O)COc1c(C)ccc(C)c1C ZINC000566628858 327426151 /nfs/dbraw/zinc/42/61/51/327426151.db2.gz UVTNBQFSYJKTPR-HOTGVXAUSA-N 0 1 290.407 2.633 20 30 CFEDMN COc1nc(C)cc(C)c1CN1CCC(CC#N)CC1 ZINC000561862339 327426597 /nfs/dbraw/zinc/42/65/97/327426597.db2.gz XRQJSRXXKWTYQJ-UHFFFAOYSA-N 0 1 273.380 2.833 20 30 CFEDMN C#CCN1CCC(C(=O)N2CCC[C@H](CC(C)C)C2)CC1 ZINC000151931729 327527038 /nfs/dbraw/zinc/52/70/38/327527038.db2.gz FFXMXRMTJOSXQB-MRXNPFEDSA-N 0 1 290.451 2.616 20 30 CFEDMN CC(C)=CCC[C@@H](C)CC(=O)NC1(C#N)CCN(C)CC1 ZINC000570045608 327565629 /nfs/dbraw/zinc/56/56/29/327565629.db2.gz CDROUNKWSRLXSG-OAHLLOKOSA-N 0 1 291.439 2.863 20 30 CFEDMN N#C[C@H]1CC[C@H](NCc2cn3cc(Cl)ccc3n2)C1 ZINC000336053252 328743146 /nfs/dbraw/zinc/74/31/46/328743146.db2.gz QSWWTZRWHJJPAO-JQWIXIFHSA-N 0 1 274.755 2.770 20 30 CFEDMN C=CCCCCCCNC(=O)N[C@H]1CCc2nc[nH]c2C1 ZINC000377330406 329011479 /nfs/dbraw/zinc/01/14/79/329011479.db2.gz MHMDUUNOCKTMNK-ZDUSSCGKSA-N 0 1 290.411 2.703 20 30 CFEDMN C#Cc1ccc(CN2CCCN(C(=O)C(C)(C)C)CC2)cc1 ZINC000377656692 329023382 /nfs/dbraw/zinc/02/33/82/329023382.db2.gz YBGZHLPHMGKAKA-UHFFFAOYSA-N 0 1 298.430 2.748 20 30 CFEDMN CCCCCCCC(=O)N1CC[C@@H](CN2CCOCC2)C1 ZINC000174180221 329155021 /nfs/dbraw/zinc/15/50/21/329155021.db2.gz GTWVZGJWIQKLML-INIZCTEOSA-N 0 1 296.455 2.528 20 30 CFEDMN N#CC1(NC(=O)CN2CCC3(CCCC3)C2)CCCCC1 ZINC000174265193 329156076 /nfs/dbraw/zinc/15/60/76/329156076.db2.gz KFVWOAWQOJQSKP-UHFFFAOYSA-N 0 1 289.423 2.595 20 30 CFEDMN C=CCCCC(=O)N1CCN(C)CC12CCCCC2 ZINC000176248384 329172934 /nfs/dbraw/zinc/17/29/34/329172934.db2.gz FBRIUQDSQJCVCW-UHFFFAOYSA-N 0 1 264.413 2.820 20 30 CFEDMN C=C(C)CN(C)CC(=O)N(CC)C1CCCCC1 ZINC000181263952 329228535 /nfs/dbraw/zinc/22/85/35/329228535.db2.gz ZHTKGNHPOAPLOA-UHFFFAOYSA-N 0 1 252.402 2.676 20 30 CFEDMN C=C(C)CN(C)CC(=O)N(Cc1ccc(C)cc1)C1CC1 ZINC000181279321 329229177 /nfs/dbraw/zinc/22/91/77/329229177.db2.gz LPIUEZKODZHMJT-UHFFFAOYSA-N 0 1 286.419 2.994 20 30 CFEDMN C=C(C)CN(C)C(=O)NCc1ccc(F)c(CN(C)C)c1 ZINC000181126349 329232901 /nfs/dbraw/zinc/23/29/01/329232901.db2.gz JNWCIDSVAJJEAO-UHFFFAOYSA-N 0 1 293.386 2.605 20 30 CFEDMN Cc1ccc(OC2CCN(CCCC#N)CC2)nc1 ZINC000182844481 329245295 /nfs/dbraw/zinc/24/52/95/329245295.db2.gz RQHLZTRUZHMNHV-UHFFFAOYSA-N 0 1 259.353 2.537 20 30 CFEDMN C=C(C)CN(C)C(=O)c1cn[nH]c1-c1ccccc1F ZINC000183045151 329246533 /nfs/dbraw/zinc/24/65/33/329246533.db2.gz FSFXCXOZGBYJRW-UHFFFAOYSA-N 0 1 273.311 2.864 20 30 CFEDMN N#CCCN(C[C@@H](O)C1CCCCC1)CC1CC1 ZINC000190628770 329399951 /nfs/dbraw/zinc/39/99/51/329399951.db2.gz ZXGLNVZGHZBEBZ-OAHLLOKOSA-N 0 1 250.386 2.553 20 30 CFEDMN CCC[C@@H](C)NC(=O)[C@@H](C)N1CCC(CCC#N)CC1 ZINC000399294185 329449956 /nfs/dbraw/zinc/44/99/56/329449956.db2.gz JEMNSBNIJKESGN-ZIAGYGMSSA-N 0 1 279.428 2.695 20 30 CFEDMN C=CCCCCCNC(=O)c1cnccc1N(C)C ZINC000572377962 330019462 /nfs/dbraw/zinc/01/94/62/330019462.db2.gz STIIFPQUNZTOQT-UHFFFAOYSA-N 0 1 261.369 2.624 20 30 CFEDMN C=C[C@@H](CO)N[C@@H](C)c1ccc(Cl)cc1OC ZINC000421853837 330088521 /nfs/dbraw/zinc/08/85/21/330088521.db2.gz KIDWBPVPMNEKOW-ONGXEEELSA-N 0 1 255.745 2.546 20 30 CFEDMN C[C@@H]1C[C@@]1(C#N)C(=O)Nc1cccc2c1OCC[C@H]2N(C)C ZINC000572454375 330106360 /nfs/dbraw/zinc/10/63/60/330106360.db2.gz ZCTCTGHSYKLZDJ-ZLENFMNRSA-N 0 1 299.374 2.560 20 30 CFEDMN C=C(C)CCN1CCN(C(=O)c2cccc(F)c2)CC1 ZINC000274786603 330107281 /nfs/dbraw/zinc/10/72/81/330107281.db2.gz QKSXUXCZYDDZJF-UHFFFAOYSA-N 0 1 276.355 2.550 20 30 CFEDMN COc1cccc(N2CCN([C@H]3CC[C@@H](C#N)C3)CC2)c1 ZINC000429727270 330126891 /nfs/dbraw/zinc/12/68/91/330126891.db2.gz BRIPUFLIRWMIDK-ZBFHGGJFSA-N 0 1 285.391 2.509 20 30 CFEDMN C=CCOc1ccc(C[N@@H+]2C[C@H](C(=O)[O-])CC[C@H]2C)cc1 ZINC000422639944 330150598 /nfs/dbraw/zinc/15/05/98/330150598.db2.gz YJGRZTZXLJUYTI-UKRRQHHQSA-N 0 1 289.375 2.937 20 30 CFEDMN C=CCCCC(=O)N1CCNC[C@H]1c1ccccc1 ZINC000423988382 330217550 /nfs/dbraw/zinc/21/75/50/330217550.db2.gz AOXVOBZCGZPMJF-HNNXBMFYSA-N 0 1 258.365 2.516 20 30 CFEDMN C=C[C@@H]1OCC[C@H]1NCc1cc(OCC)c(OC)cc1F ZINC000527715469 330276427 /nfs/dbraw/zinc/27/64/27/330276427.db2.gz IFFUMBXUCGPIJR-KGLIPLIRSA-N 0 1 295.354 2.666 20 30 CFEDMN C=CCn1cc(CN[C@H]2C[C@H](OCC)C2(CC)CC)nn1 ZINC000424290375 330338406 /nfs/dbraw/zinc/33/84/06/330338406.db2.gz BOFTVCLVZVNULW-GJZGRUSLSA-N 0 1 292.427 2.538 20 30 CFEDMN C=C[C@@H]1OCCC[C@H]1c1nc([C@H](N)CC(C)C)no1 ZINC000424338123 330343748 /nfs/dbraw/zinc/34/37/48/330343748.db2.gz MURLXNTZXZDDSP-UTUOFQBUSA-N 0 1 265.357 2.564 20 30 CFEDMN C=CCC1(c2nc([C@@H](N)CC(C)C)no2)CCOCC1 ZINC000424341713 330344118 /nfs/dbraw/zinc/34/41/18/330344118.db2.gz VVGUJBSYHTVUTQ-LBPRGKRZSA-N 0 1 279.384 2.740 20 30 CFEDMN C=C(C)[C@@H](Cc1nc(C2(N)CCCCC2)no1)OCC ZINC000424349895 330345233 /nfs/dbraw/zinc/34/52/33/330345233.db2.gz WTUGCTDIZAIFKI-GFCCVEGCSA-N 0 1 279.384 2.711 20 30 CFEDMN C=CCOc1ccc(C[N@@H+]2CCC[C@H](C)[C@@H]2C(=O)[O-])cc1 ZINC000424413865 330350515 /nfs/dbraw/zinc/35/05/15/330350515.db2.gz GIOAFOBRVUXBJD-XJKSGUPXSA-N 0 1 289.375 2.937 20 30 CFEDMN C=C(CC)CNCc1nccn1Cc1ccccc1 ZINC000449737428 330947446 /nfs/dbraw/zinc/94/74/46/330947446.db2.gz YNCUVFIQXRRQEF-UHFFFAOYSA-N 0 1 255.365 2.987 20 30 CFEDMN CCCn1ccnc1CCCN(C)CC1(C#N)CCC1 ZINC000450856104 331003133 /nfs/dbraw/zinc/00/31/33/331003133.db2.gz NXVGLOQEGPFISK-UHFFFAOYSA-N 0 1 274.412 2.851 20 30 CFEDMN C=C[C@@H]1OCC[C@H]1NCc1nc(-c2ccccc2)c[nH]1 ZINC000451217373 331020817 /nfs/dbraw/zinc/02/08/17/331020817.db2.gz LFFQOXFQRQNWDV-HIFRSBDPSA-N 0 1 269.348 2.510 20 30 CFEDMN CO[C@@H]1CCN(CC#Cc2ccc(F)cc2)C[C@H]1C ZINC000451571254 331034987 /nfs/dbraw/zinc/03/49/87/331034987.db2.gz PYBKVGAUMPMGLU-CZUORRHYSA-N 0 1 261.340 2.534 20 30 CFEDMN COc1ccc2c(c1)CN(CCCCC#N)CCO2 ZINC000451643157 331037719 /nfs/dbraw/zinc/03/77/19/331037719.db2.gz NQYPNYFPTHKPFJ-UHFFFAOYSA-N 0 1 260.337 2.583 20 30 CFEDMN C=CCCCCCN1CCC[C@]2(CCS(=O)(=O)C2)C1 ZINC000451746882 331041020 /nfs/dbraw/zinc/04/10/20/331041020.db2.gz YFLQRWGZSGIXSN-HNNXBMFYSA-N 0 1 285.453 2.634 20 30 CFEDMN C=CCC[C@H](NCc1nn(C)cc1Cl)C1CC1 ZINC000453328617 331117338 /nfs/dbraw/zinc/11/73/38/331117338.db2.gz VBLUCQPWZWAGIV-LBPRGKRZSA-N 0 1 253.777 2.908 20 30 CFEDMN C=CCCC1(C(=O)N2CCN([C@H](C)CC)CC2)CC1 ZINC000456534212 331195183 /nfs/dbraw/zinc/19/51/83/331195183.db2.gz SITPWRDDGXCZCR-CQSZACIVSA-N 0 1 264.413 2.676 20 30 CFEDMN C=C(CC)CNC(=O)[C@H]1CCCN1Cc1ccccc1 ZINC000456832538 331206873 /nfs/dbraw/zinc/20/68/73/331206873.db2.gz XPBWCQHFIYANQT-MRXNPFEDSA-N 0 1 272.392 2.733 20 30 CFEDMN C=CCCC[C@H](C)NC(=O)NCc1ccc2cncn2c1 ZINC000458624320 331254611 /nfs/dbraw/zinc/25/46/11/331254611.db2.gz RFCJRSISGHXWAZ-ZDUSSCGKSA-N 0 1 286.379 2.878 20 30 CFEDMN Cn1cncc1CCN1CCC[C@@H]1[C@@H](C#N)c1ccccc1 ZINC000459363631 331278425 /nfs/dbraw/zinc/27/84/25/331278425.db2.gz RQGIQOZDGSXAIL-ZWKOTPCHSA-N 0 1 294.402 2.734 20 30 CFEDMN CO[C@H](CN[C@H]1CCC[C@@H]1C#N)Cc1ccccc1 ZINC000459454273 331282190 /nfs/dbraw/zinc/28/21/90/331282190.db2.gz CXQPBLAYRVKRLX-PMPSAXMXSA-N 0 1 258.365 2.526 20 30 CFEDMN Cc1ccc2nc(CNCC(C)(C)CC#N)cn2c1 ZINC000459729775 331296409 /nfs/dbraw/zinc/29/64/09/331296409.db2.gz KTBJLRXKGFPTRK-UHFFFAOYSA-N 0 1 256.353 2.672 20 30 CFEDMN CC(C)[C@](C)(C#N)NC(=O)CN1CC(C)(C)CC(C)(C)C1 ZINC000466944231 331408789 /nfs/dbraw/zinc/40/87/89/331408789.db2.gz MLLIJZGONSYLSK-KRWDZBQOSA-N 0 1 293.455 2.799 20 30 CFEDMN C=CCCO[C@@H](C)C(=O)Nc1nc2ccc(F)cc2[nH]1 ZINC000488947906 332034872 /nfs/dbraw/zinc/03/48/72/332034872.db2.gz UAEOSUDULIUTGO-VIFPVBQESA-N 0 1 277.299 2.622 20 30 CFEDMN C=C[C@@H]1CCCC[N@@H+]1CC(=O)N1CCCC[C@@H]1CC ZINC000489437179 332052172 /nfs/dbraw/zinc/05/21/72/332052172.db2.gz WLWAQRAZTYTBBI-CABCVRRESA-N 0 1 264.413 2.818 20 30 CFEDMN C=C[C@@H]1CCCCN1CC(=O)N1CCCC[C@@H]1CC ZINC000489437179 332052173 /nfs/dbraw/zinc/05/21/73/332052173.db2.gz WLWAQRAZTYTBBI-CABCVRRESA-N 0 1 264.413 2.818 20 30 CFEDMN C=C[C@@H]1CCCCN1CCOCC(F)(F)C(F)F ZINC000489441694 332052605 /nfs/dbraw/zinc/05/26/05/332052605.db2.gz AAHVTMXFYIACKZ-SNVBAGLBSA-N 0 1 269.282 2.944 20 30 CFEDMN C=C[C@H]1CCCCN1CCCCCS(=O)(=O)CC ZINC000489513520 332057526 /nfs/dbraw/zinc/05/75/26/332057526.db2.gz POLUQCZATKBFKY-AWEZNQCLSA-N 0 1 273.442 2.632 20 30 CFEDMN C#CCN1CCC(C(=O)N2CCC[C@@H]2CC(C)(C)C)CC1 ZINC000490590907 332093830 /nfs/dbraw/zinc/09/38/30/332093830.db2.gz YYSIUIQENMERCE-MRXNPFEDSA-N 0 1 290.451 2.759 20 30 CFEDMN C#CCN1CCC(C(=O)N([C@H](C)[C@H](C)CC)C2CC2)CC1 ZINC000490616100 332095231 /nfs/dbraw/zinc/09/52/31/332095231.db2.gz IGKULSLRCNWEAI-HUUCEWRRSA-N 0 1 290.451 2.757 20 30 CFEDMN C#CCN1CCC(C(=O)OCc2cc(C)cc(C)c2)CC1 ZINC000490651255 332099961 /nfs/dbraw/zinc/09/99/61/332099961.db2.gz RPLQGXZRMKDPNC-UHFFFAOYSA-N 0 1 285.387 2.692 20 30 CFEDMN C#CCN1CCC(C(=O)OCc2ccc3c(c2)CCC3)CC1 ZINC000490850933 332120317 /nfs/dbraw/zinc/12/03/17/332120317.db2.gz CMJAWSIQFWCQGB-UHFFFAOYSA-N 0 1 297.398 2.564 20 30 CFEDMN C#CCN(CC)Cc1cc(Cl)c(OC)c(OC)c1 ZINC000490891320 332125162 /nfs/dbraw/zinc/12/51/62/332125162.db2.gz DAOFUMREAFEZPQ-UHFFFAOYSA-N 0 1 267.756 2.812 20 30 CFEDMN C#CCN1CCC(C(=O)O[C@@H](C)c2ccccc2)CC1 ZINC000490898322 332127025 /nfs/dbraw/zinc/12/70/25/332127025.db2.gz JTINVZKATPMYII-AWEZNQCLSA-N 0 1 271.360 2.636 20 30 CFEDMN C#CC[N@H+](CC)C[C@@]1(C)CCN(C(=O)OC(C)(C)C)C1 ZINC000490994385 332136851 /nfs/dbraw/zinc/13/68/51/332136851.db2.gz CIGXBUPBFPMXDR-MRXNPFEDSA-N 0 1 280.412 2.589 20 30 CFEDMN C#CCN1CCC(C(=O)N(C)Cc2cc(C)cc(C)c2)CC1 ZINC000491286648 332181272 /nfs/dbraw/zinc/18/12/72/332181272.db2.gz IWNUKMOMYRRADY-UHFFFAOYSA-N 0 1 298.430 2.607 20 30 CFEDMN C#C[C@@H](CCC)NC(=O)[C@@H]1CCc2[nH]c(C(C)C)nc2C1 ZINC000491361339 332196942 /nfs/dbraw/zinc/19/69/42/332196942.db2.gz KUHWODZESOSVRL-OLZOCXBDSA-N 0 1 287.407 2.556 20 30 CFEDMN C#C[C@H](CC)NCc1cnn(-c2ccc(F)cc2)c1 ZINC000491647410 332264112 /nfs/dbraw/zinc/26/41/12/332264112.db2.gz XGGDRQOSNXFSBM-CQSZACIVSA-N 0 1 257.312 2.513 20 30 CFEDMN C#C[C@H](C)N(C)Cc1ccc(OC(F)F)c(F)c1 ZINC000491748777 332325841 /nfs/dbraw/zinc/32/58/41/332325841.db2.gz YPLZRPLJSYJMGF-VIFPVBQESA-N 0 1 257.255 2.881 20 30 CFEDMN C#CCN1CCC(c2nc(-c3ccc(O)c(C)c3)no2)CC1 ZINC000491769348 332336529 /nfs/dbraw/zinc/33/65/29/332336529.db2.gz LFJVSLXIBFAEGE-UHFFFAOYSA-N 0 1 297.358 2.563 20 30 CFEDMN C#CCN(Cc1ccc(OC)c(OCC)c1)C1CC1 ZINC000491774146 332340180 /nfs/dbraw/zinc/34/01/80/332340180.db2.gz SVZHZEUVXBOJAE-UHFFFAOYSA-N 0 1 259.349 2.692 20 30 CFEDMN C#C[C@H](NC(=O)CN(CC)C1CC1)c1ccc(Cl)cc1 ZINC000491776680 332342240 /nfs/dbraw/zinc/34/22/40/332342240.db2.gz ZTEFIZLKYBLJDT-HNNXBMFYSA-N 0 1 290.794 2.615 20 30 CFEDMN C#CCN(Cc1n[nH]c(C(C)C)n1)C1CCCCC1 ZINC000491787357 332349656 /nfs/dbraw/zinc/34/96/56/332349656.db2.gz XKRCHNGZNBUJLA-UHFFFAOYSA-N 0 1 260.385 2.696 20 30 CFEDMN CC(C)(C)OC(=O)N(CCNCC1(C#N)CC1)C(C)(C)C ZINC000495852714 332531754 /nfs/dbraw/zinc/53/17/54/332531754.db2.gz ZPKWROVIRWJHND-UHFFFAOYSA-N 0 1 295.427 2.915 20 30 CFEDMN C=C[C@](C)(CC)C(=O)NC[C@H](C)[N@H+]1CCC[C@H](C)C1 ZINC000190557601 333208218 /nfs/dbraw/zinc/20/82/18/333208218.db2.gz FSHMQRKHWSFOJK-OFQRWUPVSA-N 0 1 266.429 2.825 20 30 CFEDMN C[C@@H](C#N)CNCCN(C(=O)OC(C)(C)C)C(C)(C)C ZINC000230973897 333323145 /nfs/dbraw/zinc/32/31/45/333323145.db2.gz SKLIZRGHFLCJRM-LBPRGKRZSA-N 0 1 283.416 2.771 20 30 CFEDMN C#C[C@H](NCc1ccc(Br)cn1)C(C)(C)C ZINC000393755081 333414448 /nfs/dbraw/zinc/41/44/48/333414448.db2.gz RUVLNZYNJKAMIP-LBPRGKRZSA-N 0 1 281.197 2.982 20 30 CFEDMN N#CCCCN1CCC(Oc2cncc(Cl)c2)CC1 ZINC000576336598 335190910 /nfs/dbraw/zinc/19/09/10/335190910.db2.gz DBSRKMUTHBMLLL-UHFFFAOYSA-N 0 1 279.771 2.882 20 30 CFEDMN C=C(C)CN(CC)C(=O)C[N@H+]1CCC[C@@H]2CCC[C@@H]21 ZINC000075768933 334050887 /nfs/dbraw/zinc/05/08/87/334050887.db2.gz JOUMCWCWKIXSQU-GJZGRUSLSA-N 0 1 264.413 2.676 20 30 CFEDMN CCN(CCC(=O)N(C)c1ccccc1)C[C@H](C)C#N ZINC000135017489 334112318 /nfs/dbraw/zinc/11/23/18/334112318.db2.gz JCLSZZVBIUEMRC-CQSZACIVSA-N 0 1 273.380 2.521 20 30 CFEDMN CN(CC#Cc1ccccc1Cl)CCn1cccn1 ZINC000135069066 334114416 /nfs/dbraw/zinc/11/44/16/334114416.db2.gz ONZJIPAZKISEKX-UHFFFAOYSA-N 0 1 273.767 2.520 20 30 CFEDMN C[C@H]1CC[C@H](C)N1CC(=O)Nc1ccccc1CC#N ZINC000565205505 334544719 /nfs/dbraw/zinc/54/47/19/334544719.db2.gz SYVOEYOKMJHFHU-STQMWFEESA-N 0 1 271.364 2.564 20 30 CFEDMN C=CC[C@@H](Cc1ccccc1)NC(=O)[C@@H](C)N1CC(C)C1 ZINC000567290116 334701366 /nfs/dbraw/zinc/70/13/66/334701366.db2.gz WJHHOQGMNLDKKL-WBVHZDCISA-N 0 1 286.419 2.630 20 30 CFEDMN CC[C@@H]1CO[C@H](C)CN1Cc1ccc(CC#N)cc1 ZINC000342688631 335185593 /nfs/dbraw/zinc/18/55/93/335185593.db2.gz BNUCIUPXKVKJQQ-CZUORRHYSA-N 0 1 258.365 2.752 20 30 CFEDMN CCC(CC)CN(CCC#N)C(=O)[C@@H](C)Cc1cnc[nH]1 ZINC000576357776 335193872 /nfs/dbraw/zinc/19/38/72/335193872.db2.gz SNPBKQYRXWCVJU-ZDUSSCGKSA-N 0 1 290.411 2.767 20 30 CFEDMN CC[C@@H]1CCCCN1C(=O)CN1CCC(CCC#N)CC1 ZINC000576982943 335273390 /nfs/dbraw/zinc/27/33/90/335273390.db2.gz DRTKDVHMKDYHLX-MRXNPFEDSA-N 0 1 291.439 2.793 20 30 CFEDMN N#CC[C@@H](Cc1nc(C2(N)CCC2)no1)c1ccccc1 ZINC000577279915 335334459 /nfs/dbraw/zinc/33/44/59/335334459.db2.gz RIKCODJDQXPVQP-ZDUSSCGKSA-N 0 1 282.347 2.647 20 30 CFEDMN C=CCCCc1nc(-c2ccn3cncc3c2)no1 ZINC000351108138 335568414 /nfs/dbraw/zinc/56/84/14/335568414.db2.gz UHTXWRBJQSBDHC-UHFFFAOYSA-N 0 1 254.293 2.893 20 30 CFEDMN C=C(C)CCNCc1c(Cl)cccc1S(C)(=O)=O ZINC000386932848 336182485 /nfs/dbraw/zinc/18/24/85/336182485.db2.gz UDXOFRQVHSIHBE-UHFFFAOYSA-N 0 1 287.812 2.799 20 30 CFEDMN C=C(C)CN1CC[C@@H]1CN(C)C(=O)c1ccc(C)c(F)c1 ZINC001085708499 782139355 /nfs/dbraw/zinc/13/93/55/782139355.db2.gz JZHZRFMQTIAMIH-OAHLLOKOSA-N 0 1 290.382 2.857 20 30 CFEDMN C=CCC[N@@H+]1CC[C@H]1CN(C)C(=O)c1cc(C(C)C)on1 ZINC001085746021 782148903 /nfs/dbraw/zinc/14/89/03/782148903.db2.gz WNHPIWLQMHUZHI-ZDUSSCGKSA-N 0 1 291.395 2.520 20 30 CFEDMN C=CCCN1CC[C@H]1CN(C)C(=O)c1cc(C(C)C)on1 ZINC001085746021 782148909 /nfs/dbraw/zinc/14/89/09/782148909.db2.gz WNHPIWLQMHUZHI-ZDUSSCGKSA-N 0 1 291.395 2.520 20 30 CFEDMN C#CCCCNc1ccc2cc(C(=O)OCC)[nH]c2n1 ZINC001155014082 782161597 /nfs/dbraw/zinc/16/15/97/782161597.db2.gz KMFFFCLVTHGKGL-UHFFFAOYSA-N 0 1 271.320 2.565 20 30 CFEDMN CC(C)C[C@@H]1COCCN1CCOc1ccc(C#N)cc1 ZINC000072978804 519276644 /nfs/dbraw/zinc/27/66/44/519276644.db2.gz MDCOLKXCYOMYHY-MRXNPFEDSA-N 0 1 288.391 2.684 20 30 CFEDMN CCN(Cc1cccc(C#N)c1F)C[C@H]1CCCO1 ZINC000223527867 521336840 /nfs/dbraw/zinc/33/68/40/521336840.db2.gz GAJSNNMUPXVXFY-CQSZACIVSA-N 0 1 262.328 2.698 20 30 CFEDMN CCOC1(C)CCN(Cc2cc(C#N)ccc2OC)CC1 ZINC000314633037 521635896 /nfs/dbraw/zinc/63/58/96/521635896.db2.gz TXHCABADTBORQF-UHFFFAOYSA-N 0 1 288.391 2.958 20 30 CFEDMN CN(Cc1cc(F)ccc1C#N)[C@@H]1[C@@H]2CCO[C@@H]2C1(C)C ZINC000160569398 523181550 /nfs/dbraw/zinc/18/15/50/523181550.db2.gz MJRGXXCZAKSOQN-XHSDSOJGSA-N 0 1 288.366 2.943 20 30 CFEDMN CO[C@H](C)CN(Cc1cccc(C#N)c1F)C(C)C ZINC000340892833 523878785 /nfs/dbraw/zinc/87/87/85/523878785.db2.gz JPPLIJOXYIERSO-GFCCVEGCSA-N 0 1 264.344 2.943 20 30 CFEDMN CO[C@H]1CCN(Cc2ccc(C#N)c(F)c2)[C@H](C)C1 ZINC000336401798 523997040 /nfs/dbraw/zinc/99/70/40/523997040.db2.gz REAHQVLRPJIWKW-RISCZKNCSA-N 0 1 262.328 2.697 20 30 CFEDMN CO[C@H]1CCN(Cc2ccc(F)c(C#N)c2)C[C@@H]1C ZINC000335166439 523997666 /nfs/dbraw/zinc/99/76/66/523997666.db2.gz APPXBEODKSJJDV-NHYWBVRUSA-N 0 1 262.328 2.554 20 30 CFEDMN COc1ccc(CNCc2cccc(C#N)c2)c(F)c1 ZINC000229742042 524073088 /nfs/dbraw/zinc/07/30/88/524073088.db2.gz MNUHOXBNNLBEKX-UHFFFAOYSA-N 0 1 270.307 2.996 20 30 CFEDMN CNC(=O)C[C@@H](NCc1cc(C#N)cs1)c1ccccc1 ZINC000360772083 524075453 /nfs/dbraw/zinc/07/54/53/524075453.db2.gz LAGAPHBUCZJLNF-OAHLLOKOSA-N 0 1 299.399 2.587 20 30 CFEDMN CCCN1CCC[C@H]1C(=O)Nc1cc(C)cc(C#N)c1 ZINC000456966358 534903595 /nfs/dbraw/zinc/90/35/95/534903595.db2.gz NMBLBZZXHJHDOW-HNNXBMFYSA-N 0 1 271.364 2.680 20 30 CFEDMN Cc1cc(C#N)cc(NC(=O)[C@@H]2CCCc3[nH]ncc32)c1 ZINC000335120302 526185216 /nfs/dbraw/zinc/18/52/16/526185216.db2.gz VZRCSKBGKRGSEZ-CYBMUJFWSA-N 0 1 280.331 2.648 20 30 CFEDMN C=CCN(CCc1ccco1)Cc1n[nH]c(C2CC2)n1 ZINC000347800488 526327266 /nfs/dbraw/zinc/32/72/66/526327266.db2.gz RLIDXKMGHXWERM-UHFFFAOYSA-N 0 1 272.352 2.506 20 30 CFEDMN C=CCN(CCc1ccco1)Cc1cc(OC)ccn1 ZINC000352720693 526327421 /nfs/dbraw/zinc/32/74/21/526327421.db2.gz MPVRWBYMDWOPMO-UHFFFAOYSA-N 0 1 272.348 2.914 20 30 CFEDMN C=C(C)CC[N@H+](C)Cc1nc(=O)c2sccc2[n-]1 ZINC000351996561 526438544 /nfs/dbraw/zinc/43/85/44/526438544.db2.gz VDWBTPBJBWIZHN-UHFFFAOYSA-N 0 1 263.366 2.795 20 30 CFEDMN C=C(C)CN(C)C(=O)NC[C@@H](c1ccsc1)N(C)C ZINC000351917460 526487528 /nfs/dbraw/zinc/48/75/28/526487528.db2.gz POARKHNFVDTIHE-ZDUSSCGKSA-N 0 1 281.425 2.568 20 30 CFEDMN N#Cc1c(F)cccc1CN1CC[C@@H](C2CCOCC2)C1 ZINC000336110721 526523623 /nfs/dbraw/zinc/52/36/23/526523623.db2.gz KXMOSRFZWHEFGU-CQSZACIVSA-N 0 1 288.366 2.946 20 30 CFEDMN N#Cc1cc(CN2CCC[C@H](c3cc[nH]n3)C2)ccc1F ZINC000160939417 526549616 /nfs/dbraw/zinc/54/96/16/526549616.db2.gz JUFHXKSJWKEECB-ZDUSSCGKSA-N 0 1 284.338 2.800 20 30 CFEDMN N#Cc1ccc(C(=O)Nc2cc3c(cn2)CCCC3)cc1O ZINC000361197374 526601249 /nfs/dbraw/zinc/60/12/49/526601249.db2.gz GQBUKPCNBNJBOR-UHFFFAOYSA-N 0 1 293.326 2.790 20 30 CFEDMN N#Cc1ccc(C[N@@H+]2CCCC[C@H]2CCC(=O)[O-])c(F)c1 ZINC000050924563 526611568 /nfs/dbraw/zinc/61/15/68/526611568.db2.gz JITQMJKCPCWWID-AWEZNQCLSA-N 0 1 290.338 2.917 20 30 CFEDMN N#Cc1ccc(CN2CCC[C@H]2CCO)c(Cl)c1 ZINC000310637628 526614314 /nfs/dbraw/zinc/61/43/14/526614314.db2.gz ROJQXOQAFPZJOK-ZDUSSCGKSA-N 0 1 264.756 2.558 20 30 CFEDMN N#Cc1cccc(NC(=O)CN2CCCC23CCC3)c1 ZINC000334181729 526716657 /nfs/dbraw/zinc/71/66/57/526716657.db2.gz BOCPNGMLFDXQSF-UHFFFAOYSA-N 0 1 269.348 2.515 20 30 CFEDMN CC(C)(C)c1nc(CNc2ccc(C#N)cc2F)n[nH]1 ZINC000413422258 526846628 /nfs/dbraw/zinc/84/66/28/526846628.db2.gz SITICSQWHYPZHG-UHFFFAOYSA-N 0 1 273.315 2.725 20 30 CFEDMN CC(C)(C)c1[nH]n(C[C@@H]2CCCO2)c(=O)c1CCC#N ZINC000347884709 526886793 /nfs/dbraw/zinc/88/67/93/526886793.db2.gz GSLBJCGQBODRQS-NSHDSACASA-N 0 1 277.368 2.521 20 30 CFEDMN C=C1CCN(Cc2ccc(O[C@H](C)C(=O)OC)cc2)CC1 ZINC000353319445 526904108 /nfs/dbraw/zinc/90/41/08/526904108.db2.gz DNCHIVAJXDZCPE-CQSZACIVSA-N 0 1 289.375 2.779 20 30 CFEDMN Cc1nnc(SCc2ncc(-c3ccc(C#N)cc3)o2)[nH]1 ZINC000363417892 527021706 /nfs/dbraw/zinc/02/17/06/527021706.db2.gz CJERZOYVFJKUGR-UHFFFAOYSA-N 0 1 297.343 2.932 20 30 CFEDMN Cc1n[nH]c(SCc2ncc(-c3ccc(C#N)cc3)o2)n1 ZINC000363417892 527021710 /nfs/dbraw/zinc/02/17/10/527021710.db2.gz CJERZOYVFJKUGR-UHFFFAOYSA-N 0 1 297.343 2.932 20 30 CFEDMN Cc1nc([C@H](C)Sc2ccc(C#N)cc2F)n[nH]1 ZINC000334810332 527068320 /nfs/dbraw/zinc/06/83/20/527068320.db2.gz PFYIWYFRJSAZCD-ZETCQYMHSA-N 0 1 262.313 2.977 20 30 CFEDMN C=CCCCNC(=O)[C@@H](CC)N(C)Cc1ccccc1 ZINC000356051616 527224420 /nfs/dbraw/zinc/22/44/20/527224420.db2.gz IHQFGTZABIGAPP-MRXNPFEDSA-N 0 1 274.408 2.979 20 30 CFEDMN CC(C)(NCc1ccc(C#N)cc1)C(=O)NCC1CCCC1 ZINC000178846212 527293539 /nfs/dbraw/zinc/29/35/39/527293539.db2.gz BEEWFDDYWCSAHJ-UHFFFAOYSA-N 0 1 299.418 2.733 20 30 CFEDMN C=CCN1C(=O)N=NC1SC[C@@H](C)CC(C)C ZINC000347805360 527331090 /nfs/dbraw/zinc/33/10/90/527331090.db2.gz YSPBLKJXVNIOHY-JTQLQIEISA-N 0 1 255.387 2.944 20 30 CFEDMN C=CCN1C(=O)N=NC1SC[C@H](C)CC(C)C ZINC000347805363 527332054 /nfs/dbraw/zinc/33/20/54/527332054.db2.gz YSPBLKJXVNIOHY-SNVBAGLBSA-N 0 1 255.387 2.944 20 30 CFEDMN C=CCCOCCCCC(=O)N1[C@@H](C)CN(CC)C[C@@H]1C ZINC000344454819 527334530 /nfs/dbraw/zinc/33/45/30/527334530.db2.gz OQQWPDDXHOPTPQ-HOTGVXAUSA-N 0 1 296.455 2.691 20 30 CFEDMN COC[C@H]1CCCN(Cc2ccc(F)cc2C#N)CC1 ZINC000452097010 536525825 /nfs/dbraw/zinc/52/58/25/536525825.db2.gz YQOGQZWROAZVPV-ZDUSSCGKSA-N 0 1 276.355 2.946 20 30 CFEDMN CC1=CCN(CCNC(=O)c2ncoc2C2CC2)CC1 ZINC000329137096 528114764 /nfs/dbraw/zinc/11/47/64/528114764.db2.gz RFSVPBWLRSBZHM-UHFFFAOYSA-N 0 1 275.352 2.509 20 30 CFEDMN CCCCN(CC(=O)Nc1sccc1C#N)C1CC1 ZINC000046602849 528376633 /nfs/dbraw/zinc/37/66/33/528376633.db2.gz GEKSOZVZFSWYOQ-UHFFFAOYSA-N 0 1 277.393 2.823 20 30 CFEDMN CC(C)C[C@H](N)c1noc(COc2ccc(C#N)cc2)n1 ZINC000414617760 528557473 /nfs/dbraw/zinc/55/74/73/528557473.db2.gz LUINMLFNWWLODA-ZDUSSCGKSA-N 0 1 286.335 2.566 20 30 CFEDMN CC1(C#N)CCN(CCc2nc3ccccc3c(=O)[nH]2)CC1 ZINC000332595623 528840969 /nfs/dbraw/zinc/84/09/69/528840969.db2.gz KUIBWZMFBKYMRB-UHFFFAOYSA-N 0 1 296.374 2.504 20 30 CFEDMN CC[C@@H](C(=O)Nc1cc(C#N)ccc1OC(C)C)N(C)C ZINC000413236861 529290370 /nfs/dbraw/zinc/29/03/70/529290370.db2.gz XHRXDDIADWSJLZ-AWEZNQCLSA-N 0 1 289.379 2.624 20 30 CFEDMN C=C[C@@H](CC)CC(=O)N[C@H](c1nnc[nH]1)c1ccccc1 ZINC000935270820 649893138 /nfs/dbraw/zinc/89/31/38/649893138.db2.gz GBENVDGYKZJGCF-WFASDCNBSA-N 0 1 284.363 2.613 20 30 CFEDMN CC#CCCNC(=O)c1cccc2nc(C(F)F)[nH]c21 ZINC000935283379 649894124 /nfs/dbraw/zinc/89/41/24/649894124.db2.gz YGCYEEXUANUNOO-UHFFFAOYSA-N 0 1 277.274 2.644 20 30 CFEDMN CCc1ccc(C=NNC2=N[C@H]3CCCC[C@@H]3N2)s1 ZINC000753933099 574055350 /nfs/dbraw/zinc/05/53/50/574055350.db2.gz BHGIEKKSCMTCPA-STQMWFEESA-N 0 1 276.409 2.504 20 30 CFEDMN Cc1ccc2[nH]cc(C=NNC3=N[C@@H]4CCCC[C@@H]4N3)c2c1 ZINC000753929080 574055415 /nfs/dbraw/zinc/05/54/15/574055415.db2.gz NSHLLHTWGIUPEO-IYBDPMFKSA-N 0 1 295.390 2.670 20 30 CFEDMN CC(=NNC1=N[C@@H]2CCCC[C@H]2N1)c1ccccc1Cl ZINC000753933998 574055888 /nfs/dbraw/zinc/05/58/88/574055888.db2.gz FFBBVLYMUYUSQD-ZIAGYGMSSA-N 0 1 290.798 2.924 20 30 CFEDMN CC(=NNC1=N[C@@H]2CCCC[C@H]2N1)c1ccc2c(c1)CCC2 ZINC000753937631 574056744 /nfs/dbraw/zinc/05/67/44/574056744.db2.gz YLWPIVYJUIYZEE-IAGOWNOFSA-N 0 1 296.418 2.759 20 30 CFEDMN C[C@@H]1CC(N=Nc2ccc(F)cc2F)CN1C1CC1 ZINC000753967106 574060088 /nfs/dbraw/zinc/06/00/88/574060088.db2.gz MKPWAXUKBWMVPS-SECBINFHSA-N 0 1 265.307 2.989 20 30 CFEDMN C[C@H](C[N@@H+](CCCCC#N)Cc1ccccc1)C(=O)[O-] ZINC000736578240 574060805 /nfs/dbraw/zinc/06/08/05/574060805.db2.gz KIERZKFJBGBUPN-CQSZACIVSA-N 0 1 274.364 2.903 20 30 CFEDMN C[C@@H]1C[C@H](C)C[N@@H+]([C@@H](C(=O)[O-])c2ccc(C#N)cc2)C1 ZINC000736750332 574070400 /nfs/dbraw/zinc/07/04/00/574070400.db2.gz OHFRMRXIGWWLCJ-TYNCELHUSA-N 0 1 272.348 2.662 20 30 CFEDMN CC[C@H](C)C[N@@H+](C)[C@@H](C(=O)[O-])c1ccc(C#N)cc1 ZINC000736879211 574083935 /nfs/dbraw/zinc/08/39/35/574083935.db2.gz AYIVRJRGHQLDQR-SMDDNHRTSA-N 0 1 260.337 2.662 20 30 CFEDMN N#Cc1cccc(CN[C@@H](CCO)c2cccs2)c1F ZINC000754382465 574093023 /nfs/dbraw/zinc/09/30/23/574093023.db2.gz BJWHNLLPUUINRX-ZDUSSCGKSA-N 0 1 290.363 2.972 20 30 CFEDMN Fc1cccc(C=NNc2ccc(Cl)nn2)c1F ZINC000730723153 574093529 /nfs/dbraw/zinc/09/35/29/574093529.db2.gz YJFHQDAEYGBWMR-UHFFFAOYSA-N 0 1 268.654 2.854 20 30 CFEDMN C=CC[N@@H+](Cc1ccccc1)C[C@H]1CCN(C(=O)[O-])C1 ZINC000738493195 574095272 /nfs/dbraw/zinc/09/52/72/574095272.db2.gz YOUWJFJSOIVNLB-OAHLLOKOSA-N 0 1 274.364 2.675 20 30 CFEDMN CC(=NNc1nc2ccccc2n1C)c1ccc(O)cc1O ZINC000728775753 574108187 /nfs/dbraw/zinc/10/81/87/574108187.db2.gz BGHVJUCIMHZKCF-UHFFFAOYSA-N 0 1 296.330 2.821 20 30 CFEDMN Cc1cc(N=NCc2cnc(-c3ccccc3)[nH]2)ncn1 ZINC000741461216 574119933 /nfs/dbraw/zinc/11/99/33/574119933.db2.gz UFHXGBKCMXXDFK-UHFFFAOYSA-N 0 1 278.319 2.621 20 30 CFEDMN Cc1ccc2nc(CN=Cc3ccc(O)c(O)c3O)[nH]c2c1 ZINC000745976010 574130209 /nfs/dbraw/zinc/13/02/09/574130209.db2.gz DLVUKRMQLQEEPW-IDUWFGFVSA-N 0 1 297.314 2.607 20 30 CFEDMN C[C@@H](CC#N)N(C)Cc1c(O)ccc2ccncc21 ZINC000728901648 574135430 /nfs/dbraw/zinc/13/54/30/574135430.db2.gz PHUJWUVRCZWGPN-NSHDSACASA-N 0 1 255.321 2.674 20 30 CFEDMN Cc1cc(=NN=Cc2ccc([C@H]3C[C@H]3C)o2)nc[nH]1 ZINC000731935833 574136080 /nfs/dbraw/zinc/13/60/80/574136080.db2.gz TZZNCABIHWNNCX-SKDRFNHKSA-N 0 1 256.309 2.947 20 30 CFEDMN C[N@@H+](Cc1ccc(F)cc1)[C@H](C(=O)[O-])c1ccc(C#N)cc1 ZINC000737471653 574144443 /nfs/dbraw/zinc/14/44/43/574144443.db2.gz CADOCMBYDXYZQO-INIZCTEOSA-N 0 1 298.317 2.955 20 30 CFEDMN C[N@@H+](Cc1cccc(C#N)c1)[C@@H](C(=O)[O-])c1ccc(F)cc1 ZINC000737487172 574144949 /nfs/dbraw/zinc/14/49/49/574144949.db2.gz IWJIJMSEQHLJIX-MRXNPFEDSA-N 0 1 298.317 2.955 20 30 CFEDMN C[N@@H+](Cc1ccccc1O)[C@@H](C(=O)[O-])c1ccc(C#N)cc1 ZINC000737494367 574145300 /nfs/dbraw/zinc/14/53/00/574145300.db2.gz NCTJUPOYXDRQCU-MRXNPFEDSA-N 0 1 296.326 2.522 20 30 CFEDMN CC(=NNc1ccc(C)cn1)c1ccc([S@@](C)=O)cc1 ZINC000746370796 574147071 /nfs/dbraw/zinc/14/70/71/574147071.db2.gz PQFQXBCMPAWHKM-HXUWFJFHSA-N 0 1 287.388 2.964 20 30 CFEDMN C#CCN(C/C=C(/C)C(=O)OC)[C@H]1CCc2ccccc21 ZINC000746503474 574152024 /nfs/dbraw/zinc/15/20/24/574152024.db2.gz RVDHIEDQYPONJG-IFCKCIONSA-N 0 1 283.371 2.728 20 30 CFEDMN O=[N+]([O-])c1ccccc1NN=Cc1ccc(O)c(F)c1 ZINC000755464792 574163817 /nfs/dbraw/zinc/16/38/17/574163817.db2.gz BRKMTPVPWBVFFP-UHFFFAOYSA-N 0 1 275.239 2.886 20 30 CFEDMN N#Cc1ccccc1CN=Nc1ccccc1[N+](=O)[O-] ZINC000755466087 574163857 /nfs/dbraw/zinc/16/38/57/574163857.db2.gz UCNWXOIHJWDDRE-UHFFFAOYSA-N 0 1 266.260 2.912 20 30 CFEDMN C=C(Br)COC(=O)c1c(F)cc(O)cc1F ZINC000746985935 574174500 /nfs/dbraw/zinc/17/45/00/574174500.db2.gz LZQNCCHNCOAETE-UHFFFAOYSA-N 0 1 293.063 2.736 20 30 CFEDMN Cc1cc(N=NCc2cc(F)cc(F)c2)nc(C)n1 ZINC000755647706 574174874 /nfs/dbraw/zinc/17/48/74/574174874.db2.gz CNHLZKMNGCKJRA-UHFFFAOYSA-N 0 1 262.263 2.818 20 30 CFEDMN Cc1cc(NN=Cc2c[nH]nc2-c2ccccc2)nc(C)n1 ZINC000755648447 574175014 /nfs/dbraw/zinc/17/50/14/574175014.db2.gz OMTCOWWAKRLCLV-UHFFFAOYSA-N 0 1 292.346 2.930 20 30 CFEDMN Cc1ccc(NN=Cc2nc3ccccc3n2C)nc1 ZINC000755688519 574177978 /nfs/dbraw/zinc/17/79/78/574177978.db2.gz CEIOXWAWTHMZFS-UHFFFAOYSA-N 0 1 265.320 2.723 20 30 CFEDMN Cc1nn(C)cc1CN=Nc1cc(F)c(F)cc1F ZINC000755731496 574182239 /nfs/dbraw/zinc/18/22/39/574182239.db2.gz SYZAOARXTYYCHP-UHFFFAOYSA-N 0 1 268.242 2.592 20 30 CFEDMN Cc1ccsc1C[NH2+][C@@H](C(=O)[O-])c1ccc(C#N)cc1 ZINC000738798454 574185062 /nfs/dbraw/zinc/18/50/62/574185062.db2.gz KTMQLQDVKYQPKL-CQSZACIVSA-N 0 1 286.356 2.844 20 30 CFEDMN CCCCCCCN1CCN(C(=O)c2cccn2C)CC1 ZINC000740874777 574191720 /nfs/dbraw/zinc/19/17/20/574191720.db2.gz IADZGFWQQAORHR-UHFFFAOYSA-N 0 1 291.439 2.753 20 30 CFEDMN C[C@H]1CN(C2CC2)CC1N=Nc1ncccc1C(F)(F)F ZINC000755893541 574194865 /nfs/dbraw/zinc/19/48/65/574194865.db2.gz WAPBNHVLBFTXHA-VIFPVBQESA-N 0 1 298.312 2.982 20 30 CFEDMN CCN1c2ccccc2C(=NNc2cc(C)ccn2)C1=O ZINC000755900703 574195262 /nfs/dbraw/zinc/19/52/62/574195262.db2.gz OOAJOOJLXGUQFW-UHFFFAOYSA-N 0 1 280.331 2.573 20 30 CFEDMN COc1ccc2c(c1)C(N=Nc1cc(C)ccn1)CCO2 ZINC000755901203 574195268 /nfs/dbraw/zinc/19/52/68/574195268.db2.gz SVPXWAQHUKGWHF-UHFFFAOYSA-N 0 1 283.331 2.997 20 30 CFEDMN COc1ccc2c(c1)C(=N[N-]c1cc(C)cc[nH+]1)CCO2 ZINC000755901203 574195271 /nfs/dbraw/zinc/19/52/71/574195271.db2.gz SVPXWAQHUKGWHF-UHFFFAOYSA-N 0 1 283.331 2.997 20 30 CFEDMN CC(=O)Nc1ccsc1C=N[N-]c1cc(C)cc[nH+]1 ZINC000755901565 574195328 /nfs/dbraw/zinc/19/53/28/574195328.db2.gz GLZRRXFSYXMDCF-UHFFFAOYSA-N 0 1 274.349 2.856 20 30 CFEDMN Cc1ccnc(N=NCc2cn(C)nc2-c2cccnc2)c1 ZINC000755900647 574195448 /nfs/dbraw/zinc/19/54/48/574195448.db2.gz NKSUTDCSYMCXPI-UHFFFAOYSA-N 0 1 292.346 2.632 20 30 CFEDMN COCCOc1cccc(C=NNc2cc(C)ccn2)c1 ZINC000755902026 574195729 /nfs/dbraw/zinc/19/57/29/574195729.db2.gz YUZYAYLIRCLIPD-UHFFFAOYSA-N 0 1 285.347 2.861 20 30 CFEDMN CCOc1ccc(O)c(CN=Nc2cc(C)ccn2)c1 ZINC000755904517 574195898 /nfs/dbraw/zinc/19/58/98/574195898.db2.gz DCGIFDHYWVMBAU-UHFFFAOYSA-N 0 1 271.320 2.940 20 30 CFEDMN COc1ccc(C=NNc2cc(C)ccn2)cc1OC ZINC000755906630 574196651 /nfs/dbraw/zinc/19/66/51/574196651.db2.gz OLLBXNVFAJVVSM-UHFFFAOYSA-N 0 1 271.320 2.853 20 30 CFEDMN N#Cc1ccc([C@H](C(=O)[O-])[N@H+]2CCc3sccc3C2)cc1 ZINC000739104489 574198978 /nfs/dbraw/zinc/19/89/78/574198978.db2.gz BDKMMWTWWKSYLI-OAHLLOKOSA-N 0 1 298.367 2.804 20 30 CFEDMN CN(C)c1nccc(N=NCc2c[nH]c3ccc(F)cc23)n1 ZINC000739411151 574212366 /nfs/dbraw/zinc/21/23/66/574212366.db2.gz IARKEOHXVLFAAF-UHFFFAOYSA-N 0 1 298.325 2.609 20 30 CFEDMN CCOc1cccc(C(C)N=Nc2ccnc(N(C)C)n2)c1 ZINC000739411405 574212435 /nfs/dbraw/zinc/21/24/35/574212435.db2.gz KGZCRRLQWLTUBM-UHFFFAOYSA-N 0 1 299.378 2.777 20 30 CFEDMN CC(C)Oc1ccc(CN=Nc2ccnc(N(C)C)n2)cc1 ZINC000739414028 574212934 /nfs/dbraw/zinc/21/29/34/574212934.db2.gz SMHOHLGNCOLTDC-UHFFFAOYSA-N 0 1 299.378 2.776 20 30 CFEDMN C=CCOc1cccc(CNC[C@@H](OC)C(F)(F)F)c1 ZINC000733328818 574221746 /nfs/dbraw/zinc/22/17/46/574221746.db2.gz DOAKZQWDKKNSIB-CYBMUJFWSA-N 0 1 289.297 2.918 20 30 CFEDMN CC(C)c1cc(C(=O)Nc2cc(C#N)ccc2O)on1 ZINC000748003292 574224606 /nfs/dbraw/zinc/22/46/06/574224606.db2.gz GBKPJGFVHZRSAZ-UHFFFAOYSA-N 0 1 271.276 2.628 20 30 CFEDMN N#Cc1csc(CN[C@H](CCO)c2cccs2)c1 ZINC000748099191 574229453 /nfs/dbraw/zinc/22/94/53/574229453.db2.gz HFPRQQAWNGPZBM-GFCCVEGCSA-N 0 1 278.402 2.895 20 30 CFEDMN C=CCC[C@H]([NH2+]Cc1csc(C(C)(C)C)n1)C(=O)[O-] ZINC000756379516 574230634 /nfs/dbraw/zinc/23/06/34/574230634.db2.gz MXHFNOIQHOPTLB-NSHDSACASA-N 0 1 282.409 2.950 20 30 CFEDMN C#CCN1CCC[C@@H]1COC(=O)C[C@@H](CC)C(C)C ZINC000729812359 574232841 /nfs/dbraw/zinc/23/28/41/574232841.db2.gz SWJBEBBWBZTRHF-HUUCEWRRSA-N 0 1 265.397 2.700 20 30 CFEDMN C#CCN1CCC[C@@H]1COC(=O)[C@@H](CC)c1ccccc1 ZINC000729809607 574232922 /nfs/dbraw/zinc/23/29/22/574232922.db2.gz MRVDIPAHDSOCET-SJORKVTESA-N 0 1 285.387 2.821 20 30 CFEDMN C#CCN1CCC[C@H]1COC(=O)c1cc(C)sc1C ZINC000729808650 574233288 /nfs/dbraw/zinc/23/32/88/574233288.db2.gz DTELXVGISKKCIV-ZDUSSCGKSA-N 0 1 277.389 2.619 20 30 CFEDMN C#CCN1CCC[C@@H]1COC(=O)C[C@@H](C)CC(C)C ZINC000729812145 574233304 /nfs/dbraw/zinc/23/33/04/574233304.db2.gz NFBJGXFPMBXDSN-LSDHHAIUSA-N 0 1 265.397 2.700 20 30 CFEDMN Cc1ccc(NN=Cc2cc(Cl)ccc2O)nn1 ZINC000729936497 574239033 /nfs/dbraw/zinc/23/90/33/574239033.db2.gz SMUFPSLWLDRCLL-UHFFFAOYSA-N 0 1 262.700 2.590 20 30 CFEDMN C#CCN1CCC[C@@H]1COC(=O)[C@H](C)c1cccc(C)c1 ZINC000756542384 574244740 /nfs/dbraw/zinc/24/47/40/574244740.db2.gz LSFBEYPCNANXAY-NVXWUHKLSA-N 0 1 285.387 2.739 20 30 CFEDMN C#CCN1CCC[C@@H]1COC(=O)/C=C(\C)c1ccccc1 ZINC000756544691 574245884 /nfs/dbraw/zinc/24/58/84/574245884.db2.gz VWXMVSCIEMVKMZ-LCJXNMAOSA-N 0 1 283.371 2.731 20 30 CFEDMN C[C@H]([NH2+]C1CCN(CC#N)CC1)c1cc(Cl)ccc1[O-] ZINC000756554052 574247271 /nfs/dbraw/zinc/24/72/71/574247271.db2.gz LOSYVBNZBGJMHX-NSHDSACASA-N 0 1 293.798 2.684 20 30 CFEDMN Cc1nn(C)c(C)c1C(=N[N-]c1cccc[nH+]1)C(F)(F)F ZINC000733906232 574261484 /nfs/dbraw/zinc/26/14/84/574261484.db2.gz BHLHKMKMODPCMY-UHFFFAOYSA-N 0 1 297.284 2.810 20 30 CFEDMN COCCON=C(C)c1[nH]c(-c2ccccc2)nc1C ZINC000748791580 574267173 /nfs/dbraw/zinc/26/71/73/574267173.db2.gz KFLJFPXUCMBZEX-UHFFFAOYSA-N 0 1 273.336 2.772 20 30 CFEDMN C=CCOCC(=O)C(C#N)c1nc(-c2ccncc2)cs1 ZINC000734083291 574272505 /nfs/dbraw/zinc/27/25/05/574272505.db2.gz LRANFSXVZFPCHF-GFCCVEGCSA-N 0 1 299.355 2.584 20 30 CFEDMN C#CCN(CC(=O)N[C@H](C)CCCCC)C1CCCC1 ZINC000756910800 574272824 /nfs/dbraw/zinc/27/28/24/574272824.db2.gz CAPLTYJLLZWUKM-OAHLLOKOSA-N 0 1 278.440 2.949 20 30 CFEDMN C#CCOc1ccccc1CNCc1cnc2ccccn12 ZINC000734158963 574277651 /nfs/dbraw/zinc/27/76/51/574277651.db2.gz AVJGWXSEDMMAFB-UHFFFAOYSA-N 0 1 291.354 2.636 20 30 CFEDMN CCC[C@@H](C)CC(=O)[C@H](C#N)C(=O)NC1CCCCC1 ZINC000749048860 574277932 /nfs/dbraw/zinc/27/79/32/574277932.db2.gz PPGUXWLPDCTJAB-OCCSQVGLSA-N 0 1 278.396 2.970 20 30 CFEDMN CC[C@H](C(=O)OCc1cc(C#N)ccc1F)N(CC)CC ZINC000741033610 574278748 /nfs/dbraw/zinc/27/87/48/574278748.db2.gz WFHIULNJUOJGIS-OAHLLOKOSA-N 0 1 292.354 2.861 20 30 CFEDMN Clc1nccnc1N=NCc1cnc(-c2ccccc2)[nH]1 ZINC000741460762 574291228 /nfs/dbraw/zinc/29/12/28/574291228.db2.gz PNLAWHRHBOIZCC-UHFFFAOYSA-N 0 1 298.737 2.966 20 30 CFEDMN Cc1n[nH]cc1C=NNc1cccc(C(F)(F)F)n1 ZINC000739422420 574309637 /nfs/dbraw/zinc/30/96/37/574309637.db2.gz URSSQCZDBAOUDF-UHFFFAOYSA-N 0 1 269.230 2.578 20 30 CFEDMN C#CCOc1cccc(NC(=O)CN2[C@@H](C)CC[C@@H]2C)c1 ZINC000742252901 574321549 /nfs/dbraw/zinc/32/15/49/574321549.db2.gz PDEUBCDOQMFOBY-KBPBESRZSA-N 0 1 286.375 2.510 20 30 CFEDMN N#Cc1ccc(CNC[C@H](O)c2ccccc2Cl)o1 ZINC000742372150 574325218 /nfs/dbraw/zinc/32/52/18/574325218.db2.gz IKKRRFWIZZLCBJ-AWEZNQCLSA-N 0 1 276.723 2.628 20 30 CFEDMN Fc1cc(F)c(N=NCc2cnc3ncccn23)cc1F ZINC000755731509 574328720 /nfs/dbraw/zinc/32/87/20/574328720.db2.gz UKQGBLUDHKLCQL-UHFFFAOYSA-N 0 1 291.236 2.593 20 30 CFEDMN CC(C)c1nc(C#N)c(N=NC2CN(C3CC3)C[C@@H]2C)o1 ZINC000755890929 574360971 /nfs/dbraw/zinc/36/09/71/574360971.db2.gz SDXVLDFGOLBHTQ-JTQLQIEISA-N 0 1 287.367 2.552 20 30 CFEDMN C(=NNCc1ccccc1)c1cc(-c2cccnc2)[nH]n1 ZINC000743428062 574363998 /nfs/dbraw/zinc/36/39/98/574363998.db2.gz JKRQJIIHCSPSGQ-UHFFFAOYSA-N 0 1 277.331 2.595 20 30 CFEDMN CC(C)=C(C)C(=O)OCC(=O)[C@H](C#N)c1nc(C)cs1 ZINC000750940866 574364137 /nfs/dbraw/zinc/36/41/37/574364137.db2.gz MGAWIPQSYBQDAS-NSHDSACASA-N 0 1 292.360 2.527 20 30 CFEDMN CC(C)=C(C)C(=O)OCC(=O)C(C#N)c1nc(C)cs1 ZINC000750940866 574364140 /nfs/dbraw/zinc/36/41/40/574364140.db2.gz MGAWIPQSYBQDAS-NSHDSACASA-N 0 1 292.360 2.527 20 30 CFEDMN CC(C)CN(CCC#N)C(=O)c1cccc2n[nH]cc21 ZINC000751382480 574376191 /nfs/dbraw/zinc/37/61/91/574376191.db2.gz QXZWKAUBWBAYMO-UHFFFAOYSA-N 0 1 270.336 2.575 20 30 CFEDMN Cc1cccc2nc([C@H](C#N)C(=O)CC[C@H]3CCOC3)[nH]c21 ZINC000751846658 574383692 /nfs/dbraw/zinc/38/36/92/574383692.db2.gz ZVUTXAPLNCPSCD-QWHCGFSZSA-N 0 1 297.358 2.864 20 30 CFEDMN C(=NNCCN1CCCCC1)[C@H]1CCOc2ccccc21 ZINC000752165763 574388884 /nfs/dbraw/zinc/38/88/84/574388884.db2.gz YUCWLINWIAULJJ-OAHLLOKOSA-N 0 1 287.407 2.614 20 30 CFEDMN CCC(=Nn1cc(Br)cn1)C1CCOCC1 ZINC000752743186 574394456 /nfs/dbraw/zinc/39/44/56/574394456.db2.gz PDXDZYUSLHYBTF-UHFFFAOYSA-N 0 1 286.173 2.686 20 30 CFEDMN Fc1ccc(Cl)cc1C=NNCCN1CCCCC1 ZINC000753697640 574408130 /nfs/dbraw/zinc/40/81/30/574408130.db2.gz RZHCJOSKJUPYPP-UHFFFAOYSA-N 0 1 283.778 2.889 20 30 CFEDMN CCn1nccc1C=NNc1ccc(Br)cn1 ZINC000753698864 574408240 /nfs/dbraw/zinc/40/82/40/574408240.db2.gz ZLZJDYRSBRWKQG-UHFFFAOYSA-N 0 1 294.156 2.507 20 30 CFEDMN C=C[C@H](CC)CC(=O)NCCc1nnc(-c2ccccc2)[nH]1 ZINC000935400308 649905032 /nfs/dbraw/zinc/90/50/32/649905032.db2.gz DDQXESXRHSXWBL-CYBMUJFWSA-N 0 1 298.390 2.733 20 30 CFEDMN N#Cc1ccc(C2=CC[N@@H+](CCCC(=O)[O-])CC2)cc1 ZINC000821329978 597805261 /nfs/dbraw/zinc/80/52/61/597805261.db2.gz RCGKBUAJKPFJLS-UHFFFAOYSA-N 0 1 270.332 2.512 20 30 CFEDMN C=CCN(C)C(=O)c1ccc(CN2CCCCC2)o1 ZINC000935480658 649912001 /nfs/dbraw/zinc/91/20/01/649912001.db2.gz SYXWUXAXWRCOEJ-UHFFFAOYSA-N 0 1 262.353 2.524 20 30 CFEDMN C[C@@H]1C[N@@H+]([C@H](C(=O)[O-])c2ccc(C#N)cc2)C[C@H](C)S1 ZINC000828410788 601023601 /nfs/dbraw/zinc/02/36/01/601023601.db2.gz CSMHAUSKGWFEKE-WDMOLILDSA-N 0 1 290.388 2.510 20 30 CFEDMN C/C(=C/C[N@@H+](Cc1ccc(C#N)cc1)C(C)C)C(=O)[O-] ZINC000825729701 601159763 /nfs/dbraw/zinc/15/97/63/601159763.db2.gz KYYBVBZJOCANAZ-JYRVWZFOSA-N 0 1 272.348 2.800 20 30 CFEDMN Cc1ccc(C[NH2+][C@H](C(=O)[O-])c2cccc(C#N)c2)s1 ZINC000832933708 601301524 /nfs/dbraw/zinc/30/15/24/601301524.db2.gz ILMRIJXHPKAGDC-AWEZNQCLSA-N 0 1 286.356 2.844 20 30 CFEDMN N#Cc1cccc([C@H](C(=O)[O-])[N@H+]2CCC3(CCCC3)C2)c1 ZINC000833073791 601322567 /nfs/dbraw/zinc/32/25/67/601322567.db2.gz IFRXYLFVRAVBSH-OAHLLOKOSA-N 0 1 284.359 2.950 20 30 CFEDMN C#C[C@@H](C)N(C)C(=O)c1cccc2[nH]c(C(F)F)nc21 ZINC000935675397 649928867 /nfs/dbraw/zinc/92/88/67/649928867.db2.gz RBUTXHJRIGCHCA-MRVPVSSYSA-N 0 1 277.274 2.594 20 30 CFEDMN CC(C)[N@H+](CCC#N)Cc1ccc(O[C@H](C)C(=O)[O-])cc1 ZINC000833537659 604571671 /nfs/dbraw/zinc/57/16/71/604571671.db2.gz NIRLOSNTXVWXNR-CYBMUJFWSA-N 0 1 290.363 2.663 20 30 CFEDMN CC(C)[N@@H+](CCC#N)Cc1ccc(O[C@H](C)C(=O)[O-])cc1 ZINC000833537659 604571675 /nfs/dbraw/zinc/57/16/75/604571675.db2.gz NIRLOSNTXVWXNR-CYBMUJFWSA-N 0 1 290.363 2.663 20 30 CFEDMN C=CC[N@H+](Cc1c[nH]c(C(=O)[O-])c1)Cc1cccc(C#N)c1 ZINC000833376278 604607534 /nfs/dbraw/zinc/60/75/34/604607534.db2.gz QHBIKBBKVXFTPR-UHFFFAOYSA-N 0 1 295.342 2.773 20 30 CFEDMN CC(C)(C#N)c1ccccc1C[N@H+]1CC[C@](C)(C(=O)[O-])C1 ZINC000828028961 604675322 /nfs/dbraw/zinc/67/53/22/604675322.db2.gz KBGOJRGJOKYRRG-KRWDZBQOSA-N 0 1 286.375 2.784 20 30 CFEDMN CC(C)C[N@H+](CC#Cc1ccc(F)cc1)CCC(=O)[O-] ZINC000833487514 604864698 /nfs/dbraw/zinc/86/46/98/604864698.db2.gz GLKCIYBMUXVDBK-UHFFFAOYSA-N 0 1 277.339 2.610 20 30 CFEDMN CC(C)(C#N)CC[N@@H+]1Cc2ccc(C(=O)[O-])cc2C1 ZINC000131278569 605189007 /nfs/dbraw/zinc/18/90/07/605189007.db2.gz FYUHIKMKSATQCJ-UHFFFAOYSA-N 0 1 258.321 2.640 20 30 CFEDMN CC(C)(C#N)CC[N@H+]1Cc2ccc(C(=O)[O-])cc2C1 ZINC000131278569 605189016 /nfs/dbraw/zinc/18/90/16/605189016.db2.gz FYUHIKMKSATQCJ-UHFFFAOYSA-N 0 1 258.321 2.640 20 30 CFEDMN CCCCCNC(=O)C(C#N)C(=O)[C@H](C)CCCC ZINC000800385369 630375899 /nfs/dbraw/zinc/37/58/99/630375899.db2.gz XNIJFKBSPCXLIC-OLZOCXBDSA-N 0 1 266.385 2.828 20 30 CFEDMN CC(C)(CCC#N)CNC(=O)c1cc(F)cc(F)c1O ZINC000935991818 649970495 /nfs/dbraw/zinc/97/04/95/649970495.db2.gz BAHACZUMMSAHLE-UHFFFAOYSA-N 0 1 282.290 2.730 20 30 CFEDMN C#CCCN1CCCN(C(=O)[C@@]2(C)CCC[C@@H]2CC)CC1 ZINC000981451457 613004573 /nfs/dbraw/zinc/00/45/73/613004573.db2.gz SXCUBMUKDCXPGA-WMZOPIPTSA-N 0 1 290.451 2.760 20 30 CFEDMN C#CCCN1CC[C@H](C)[C@@H](NC(=O)c2ccc(C)s2)C1 ZINC000964709049 613022940 /nfs/dbraw/zinc/02/29/40/613022940.db2.gz GMVZREALXJGONK-JSGCOSHPSA-N 0 1 290.432 2.520 20 30 CFEDMN C#CCN(C)[C@@H]1CCN(C(=O)CCC2CCCCCC2)C1 ZINC000971953363 613080268 /nfs/dbraw/zinc/08/02/68/613080268.db2.gz FADDXXPICHYLHW-QGZVFWFLSA-N 0 1 290.451 2.903 20 30 CFEDMN C#CCN(C)[C@@H]1CCN(C(=O)CCC2CCCCC2)C1 ZINC000980316534 613080352 /nfs/dbraw/zinc/08/03/52/613080352.db2.gz JRYVTYFQTUCTRX-MRXNPFEDSA-N 0 1 276.424 2.513 20 30 CFEDMN C#CCN(C)[C@@H]1CCN(C(=O)CC(C)(C)c2ccccc2)C1 ZINC000980484257 613080447 /nfs/dbraw/zinc/08/04/47/613080447.db2.gz YIRBSLDTUUNXQG-QGZVFWFLSA-N 0 1 298.430 2.520 20 30 CFEDMN C#CCN(C)[C@@H]1CCN(C(=O)C[C@H]2CCCC(C)(C)C2)C1 ZINC000972733106 613081576 /nfs/dbraw/zinc/08/15/76/613081576.db2.gz PBIBLPGGJYSAQJ-HZPDHXFCSA-N 0 1 290.451 2.759 20 30 CFEDMN C#CCN1CCCCC[C@@H]1CNC(=O)c1ccc(C)cc1 ZINC000969126616 613146669 /nfs/dbraw/zinc/14/66/69/613146669.db2.gz HJSICHQGNQETEY-QGZVFWFLSA-N 0 1 284.403 2.603 20 30 CFEDMN C#CCN1CCCCC[C@@H]1CNC(=O)c1ccsc1C ZINC000968849944 613147517 /nfs/dbraw/zinc/14/75/17/613147517.db2.gz KLRBAXIDDGATKJ-CQSZACIVSA-N 0 1 290.432 2.664 20 30 CFEDMN C#CCN1CC[C@@H](NC(=O)C(C)=C2CCCC2)C(C)(C)C1 ZINC000940665874 613222465 /nfs/dbraw/zinc/22/24/65/613222465.db2.gz ZSIZFXBSLHPJNF-MRXNPFEDSA-N 0 1 288.435 2.727 20 30 CFEDMN C=C(C)CCN1CCN(C(=O)C2(C)CCCC2)CC1 ZINC000949532317 613257110 /nfs/dbraw/zinc/25/71/10/613257110.db2.gz BVKXEHGUJQFBJS-UHFFFAOYSA-N 0 1 264.413 2.677 20 30 CFEDMN C=C(C)CCN1CCN(C(=O)CCc2cccs2)CC1 ZINC000957603833 613257764 /nfs/dbraw/zinc/25/77/64/613257764.db2.gz KFDUEKSSBRNOBV-UHFFFAOYSA-N 0 1 292.448 2.791 20 30 CFEDMN C=C(C)CCN1CCN(C(=O)C[C@H](C)C2CC2)CC1 ZINC000957794973 613258279 /nfs/dbraw/zinc/25/82/79/613258279.db2.gz HIAOUIQFIDJYGR-AWEZNQCLSA-N 0 1 264.413 2.533 20 30 CFEDMN C=C(C)CCN1CCN(C(=O)[C@@H]2C[C@H]2C2CCC2)CC1 ZINC000951632384 613259601 /nfs/dbraw/zinc/25/96/01/613259601.db2.gz JHFHENQKQBMRFU-JKSUJKDBSA-N 0 1 276.424 2.533 20 30 CFEDMN C=C(C)CCN1CCN(C(=O)[C@H](C)c2ccc(C)o2)CC1 ZINC000951553245 613259735 /nfs/dbraw/zinc/25/97/35/613259735.db2.gz OYNJUMNAUUAEOD-OAHLLOKOSA-N 0 1 290.407 2.802 20 30 CFEDMN C=C(C)CCN1CCN(C(=O)[C@H]2CC3CCC2CC3)CC1 ZINC000957809385 613259907 /nfs/dbraw/zinc/25/99/07/613259907.db2.gz WDYPTDZEGXDETC-JCYILVPMSA-N 0 1 290.451 2.923 20 30 CFEDMN C=C(C)CCN1CCN(C(=O)[C@H]2C[C@@H]2c2ccccc2)CC1 ZINC000951372864 613260383 /nfs/dbraw/zinc/26/03/83/613260383.db2.gz YPVJFWLYQYHZNY-MSOLQXFVSA-N 0 1 298.430 2.901 20 30 CFEDMN C=C(C)CCN1CCN(C(=O)[C@H]2CCCC[C@@H]2C)CC1 ZINC000949929986 613260463 /nfs/dbraw/zinc/26/04/63/613260463.db2.gz GQKJTUCATFBHMF-HOTGVXAUSA-N 0 1 278.440 2.923 20 30 CFEDMN C=C(C)CCN1CCN(C(=O)c2ccc3cc[nH]c3c2)CC1 ZINC000950814082 613262026 /nfs/dbraw/zinc/26/20/26/613262026.db2.gz GXAZLCKXHXKBLN-UHFFFAOYSA-N 0 1 297.402 2.892 20 30 CFEDMN C=C(C)CCN1CCN(C(=O)c2ccc(C3CC3)cn2)CC1 ZINC000957506741 613262087 /nfs/dbraw/zinc/26/20/87/613262087.db2.gz RUDJTZICGIFTOA-UHFFFAOYSA-N 0 1 299.418 2.683 20 30 CFEDMN C#CCN1CC[C@H](NC(=O)[C@@H]2CCC(C)(C)C2)C(C)(C)C1 ZINC000941008415 613262325 /nfs/dbraw/zinc/26/23/25/613262325.db2.gz PKKUBFNLLJTWAS-CABCVRRESA-N 0 1 290.451 2.663 20 30 CFEDMN C#CCN1C[C@@H](NC(=O)[C@H]2CCCCC2(C)C)C(C)(C)C1 ZINC000977635097 613282350 /nfs/dbraw/zinc/28/23/50/613282350.db2.gz KLVUCMIVDOCQCR-HUUCEWRRSA-N 0 1 290.451 2.663 20 30 CFEDMN C#CCN1C[C@H](NC(=O)C2CCC(C)(C)CC2)C(C)(C)C1 ZINC000977654937 613296654 /nfs/dbraw/zinc/29/66/54/613296654.db2.gz UPZMVJBHEMSVJA-HNNXBMFYSA-N 0 1 290.451 2.663 20 30 CFEDMN C#CCN1C[C@H](NC(=O)[C@H]2CC[C@H](CC)CC2)C(C)(C)C1 ZINC000977506893 613298304 /nfs/dbraw/zinc/29/83/04/613298304.db2.gz WFTPYKGUIOXXQQ-JYJNAYRXSA-N 0 1 290.451 2.663 20 30 CFEDMN C=C(C)CN1CCCN(C(=O)[C@H](C)c2cccs2)CC1 ZINC000981939575 613310782 /nfs/dbraw/zinc/31/07/82/613310782.db2.gz KQWJRDQAQKIBBZ-CQSZACIVSA-N 0 1 292.448 2.962 20 30 CFEDMN C=C(C)CN1CCCN(C(=O)c2ccsc2C)CC1 ZINC000981113573 613312437 /nfs/dbraw/zinc/31/24/37/613312437.db2.gz QKFCRNMCOIDKLT-UHFFFAOYSA-N 0 1 278.421 2.781 20 30 CFEDMN C=C(C)CN1CC[C@@H](C)[C@@H](NC(=O)c2ccccc2F)C1 ZINC000964683943 613324373 /nfs/dbraw/zinc/32/43/73/613324373.db2.gz LBZPZIQZQFUVPJ-CJNGLKHVSA-N 0 1 290.382 2.842 20 30 CFEDMN C=C(C)CN1CC[C@@H](C)[C@H](NC(=O)c2cc(C)c(C)o2)C1 ZINC000965905199 613326043 /nfs/dbraw/zinc/32/60/43/613326043.db2.gz GKSZJUOGSHLQPM-IUODEOHRSA-N 0 1 290.407 2.913 20 30 CFEDMN C=C(C)CN1CC[C@H](C)[C@@H](NC(=O)c2cc(C)c(C)o2)C1 ZINC000965905203 613332548 /nfs/dbraw/zinc/33/25/48/613332548.db2.gz GKSZJUOGSHLQPM-WFASDCNBSA-N 0 1 290.407 2.913 20 30 CFEDMN C=C(C)CN1CC[C@H](C)[C@@H](NC(=O)c2oc(C)cc2C)C1 ZINC000965722714 613333604 /nfs/dbraw/zinc/33/36/04/613333604.db2.gz RBCYXDLCZLJDDK-WFASDCNBSA-N 0 1 290.407 2.913 20 30 CFEDMN C=C(C)CN1C[C@@H](NC(=O)c2ccccc2F)C(C)(C)C1 ZINC000972758552 613338423 /nfs/dbraw/zinc/33/84/23/613338423.db2.gz SUTWIJIPJGMTRW-OAHLLOKOSA-N 0 1 290.382 2.842 20 30 CFEDMN C=C(Cl)CN1C[C@@H]2[C@@H](CNC(=O)C3CCCCC3)[C@@H]2C1 ZINC000977779076 613381664 /nfs/dbraw/zinc/38/16/64/613381664.db2.gz ZQHHHXDRGIJHMG-QKDCVEJESA-N 0 1 296.842 2.613 20 30 CFEDMN C=C(Cl)CN[C@@H]1CCN(C(=O)C2CCCCCC2)C1 ZINC000967666523 613384281 /nfs/dbraw/zinc/38/42/81/613384281.db2.gz WFGFZYAHLRFICE-CQSZACIVSA-N 0 1 284.831 2.900 20 30 CFEDMN C=C(Cl)CN[C@@H]1CCN(C(=O)C2CCC(=C)CC2)C1 ZINC000969830940 613384361 /nfs/dbraw/zinc/38/43/61/613384361.db2.gz WPJDRTGLWRTHJQ-CQSZACIVSA-N 0 1 282.815 2.676 20 30 CFEDMN C=C(Cl)CN[C@@H]1CCN(C(=O)C2C(C)(C)C2(C)C)C1 ZINC000968336096 613384375 /nfs/dbraw/zinc/38/43/75/613384375.db2.gz GBMPAUPVMHPJEZ-LLVKDONJSA-N 0 1 284.831 2.612 20 30 CFEDMN C=C(Cl)CN[C@@H]1CCN(C(=O)CCc2ccsc2)C1 ZINC000968917830 613384656 /nfs/dbraw/zinc/38/46/56/613384656.db2.gz IPAQNDGKZUKEEV-CYBMUJFWSA-N 0 1 298.839 2.624 20 30 CFEDMN C=C(Cl)CN[C@@H]1CCN(C(=O)[C@H]2CC[C@H](C)CC2)C1 ZINC000970528595 613384908 /nfs/dbraw/zinc/38/49/08/613384908.db2.gz WKBCFQOUUVLIIW-MRVWCRGKSA-N 0 1 284.831 2.756 20 30 CFEDMN C=C(Cl)CN[C@@H]1CCN(C(=O)c2ccc(C)c(F)c2)C1 ZINC000969249537 613385729 /nfs/dbraw/zinc/38/57/29/613385729.db2.gz LNYYIRVSLBRPHJ-CYBMUJFWSA-N 0 1 296.773 2.691 20 30 CFEDMN C=C(Cl)CN[C@@H]1CCN(C(=O)c2ccsc2C)C1 ZINC000968595247 613385853 /nfs/dbraw/zinc/38/58/53/613385853.db2.gz OJIYLNTYCUJQDA-LLVKDONJSA-N 0 1 284.812 2.613 20 30 CFEDMN C=C(Cl)CN[C@@H]1CCN(C(=O)c2sccc2CC)C1 ZINC000970782269 613386241 /nfs/dbraw/zinc/38/62/41/613386241.db2.gz NJYHFVOORNXSPF-GFCCVEGCSA-N 0 1 298.839 2.867 20 30 CFEDMN C=C1CCC(C(=O)N[C@H]2CCN(CCF)CC2(C)C)CC1 ZINC000941002850 613412585 /nfs/dbraw/zinc/41/25/85/613412585.db2.gz NZUAJNGAUAEFTP-HNNXBMFYSA-N 0 1 296.430 2.919 20 30 CFEDMN C=CCCN1CCN(C(=O)C[C@H]2CC[C@@H](C)C2)CC1 ZINC000949737278 613504585 /nfs/dbraw/zinc/50/45/85/613504585.db2.gz BIWVNGQLANSSPG-CABCVRRESA-N 0 1 264.413 2.533 20 30 CFEDMN C=CCCN1CCN(C(=O)[C@@H](C)c2ccccc2)CC1 ZINC000957363769 613505054 /nfs/dbraw/zinc/50/50/54/613505054.db2.gz LAHDGISKVLSCRH-HNNXBMFYSA-N 0 1 272.392 2.510 20 30 CFEDMN C=CCCN1CCN(C(=O)[C@H]2CCCC[C@H]2CC)CC1 ZINC000956973808 613508383 /nfs/dbraw/zinc/50/83/83/613508383.db2.gz IANGQEMEOCNXNR-CVEARBPZSA-N 0 1 278.440 2.923 20 30 CFEDMN C=CCCN1CCN(C(=O)[C@H]2C[C@@H]2C2CCCC2)CC1 ZINC000956965551 613509077 /nfs/dbraw/zinc/50/90/77/613509077.db2.gz VRNOYJIRJQWODN-CVEARBPZSA-N 0 1 276.424 2.533 20 30 CFEDMN C=CCCN1CCN(C(=O)c2cc3ccsc3[nH]2)CC1 ZINC000949568170 613510164 /nfs/dbraw/zinc/51/01/64/613510164.db2.gz ZXIZEOSYRROSCH-UHFFFAOYSA-N 0 1 289.404 2.563 20 30 CFEDMN CC#CCN1CC([C@@H](C)NC(=O)[C@@H]2CCC(C)=C(C)C2)C1 ZINC000969735836 613530647 /nfs/dbraw/zinc/53/06/47/613530647.db2.gz WSXMVUUBUDQXNS-HZPDHXFCSA-N 0 1 288.435 2.583 20 30 CFEDMN CC#CCN1CC([C@H](C)NC(=O)C2CC(C(C)(C)C)C2)C1 ZINC000970957279 613535507 /nfs/dbraw/zinc/53/55/07/613535507.db2.gz ILBYQZHFCYCWIS-HLIUYOAVSA-N 0 1 290.451 2.519 20 30 CFEDMN CC#CCN1CC[C@@H](NC(=O)c2ccsc2)C(C)(C)C1 ZINC000940557551 613585942 /nfs/dbraw/zinc/58/59/42/613585942.db2.gz LXYIRQUFGGTLKN-CQSZACIVSA-N 0 1 290.432 2.602 20 30 CFEDMN CC#CCN1CC[C@H](NC(=O)c2ccsc2)C(C)(C)C1 ZINC000940557550 613604523 /nfs/dbraw/zinc/60/45/23/613604523.db2.gz LXYIRQUFGGTLKN-AWEZNQCLSA-N 0 1 290.432 2.602 20 30 CFEDMN CC#CCN1C[C@@H](NC(=O)CC2CCCCC2)C(C)(C)C1 ZINC000972788905 613608357 /nfs/dbraw/zinc/60/83/57/613608357.db2.gz LLTJKVMRMASSNO-MRXNPFEDSA-N 0 1 290.451 2.807 20 30 CFEDMN CC#CCN1C[C@@H](NC(=O)[C@H]2CC[C@H](C)CC2)C(C)(C)C1 ZINC000977499458 613609548 /nfs/dbraw/zinc/60/95/48/613609548.db2.gz HZVLTGMPCSIYFD-BZUAXINKSA-N 0 1 290.451 2.663 20 30 CFEDMN CC#CCN1C[C@@H](NC(=O)c2cc(C)ccc2C)C(C)(C)C1 ZINC000977551010 613611072 /nfs/dbraw/zinc/61/10/72/613611072.db2.gz XQTWYJHYTRYPKA-QGZVFWFLSA-N 0 1 298.430 2.767 20 30 CFEDMN CC#CCN1C[C@H](NC(=O)C2CCCCCC2)C(C)(C)C1 ZINC000972852123 613620627 /nfs/dbraw/zinc/62/06/27/613620627.db2.gz NFXGUEWVANRETC-INIZCTEOSA-N 0 1 290.451 2.807 20 30 CFEDMN CC#CCN1C[C@H](NC(=O)[C@@]2(C)CC=CCC2)C(C)(C)C1 ZINC000974626276 613621977 /nfs/dbraw/zinc/62/19/77/613621977.db2.gz YEOKJGMCDKWZNO-YJBOKZPZSA-N 0 1 288.435 2.583 20 30 CFEDMN C=CCN1CC([C@@H](C)NC(=O)c2cc(C)cc(Cl)c2)C1 ZINC000970161803 613664122 /nfs/dbraw/zinc/66/41/22/613664122.db2.gz MEXVTWQVWIVCHZ-GFCCVEGCSA-N 0 1 292.810 2.885 20 30 CFEDMN C=CCN1CC([C@@H](C)NC(=O)c2cc(C)c(C)s2)C1 ZINC000970853222 613664261 /nfs/dbraw/zinc/66/42/61/613664261.db2.gz CUGBSLLDKQBYSJ-LLVKDONJSA-N 0 1 278.421 2.601 20 30 CFEDMN C=CCN1CC([C@@H](C)NC(=O)c2cc3cc(C)ccc3o2)C1 ZINC000970923988 613664722 /nfs/dbraw/zinc/66/47/22/613664722.db2.gz JCMBTBGRMFLTTF-CYBMUJFWSA-N 0 1 298.386 2.977 20 30 CFEDMN C=CCN1CC([C@@H](C)NC(=O)c2cc(Cl)ccc2F)C1 ZINC000970095879 613664793 /nfs/dbraw/zinc/66/47/93/613664793.db2.gz LHWWPSBCJIODIK-SNVBAGLBSA-N 0 1 296.773 2.715 20 30 CFEDMN C=CCN1CC([C@@H](C)NC(=O)c2ccc(C)cc2C)C1 ZINC000970833581 613665173 /nfs/dbraw/zinc/66/51/73/613665173.db2.gz PPDPOCNIWIXKFF-CQSZACIVSA-N 0 1 272.392 2.540 20 30 CFEDMN C=CCN1CC([C@@H](C)NC(=O)c2ccc(CCC)cc2)C1 ZINC000970351741 613665507 /nfs/dbraw/zinc/66/55/07/613665507.db2.gz NWZKKVOAJPFVTQ-CQSZACIVSA-N 0 1 286.419 2.875 20 30 CFEDMN C=CCN1CC([C@H](C)NC(=O)[C@H]2CCCCC2(C)C)C1 ZINC000970939870 613669397 /nfs/dbraw/zinc/66/93/97/613669397.db2.gz ZCRCISWFXGYIDM-DZGCQCFKSA-N 0 1 278.440 2.825 20 30 CFEDMN C=CCN1CC([C@H](C)NC(=O)[C@H]2CCC=CCCC2)C1 ZINC000969946131 613669460 /nfs/dbraw/zinc/66/94/60/613669460.db2.gz AULZSOHETDAVJK-GJZGRUSLSA-N 0 1 276.424 2.745 20 30 CFEDMN C=CCN1CC([C@H](C)NC(=O)c2ccc3c(c2)C=CCC3)C1 ZINC000970571307 613671528 /nfs/dbraw/zinc/67/15/28/613671528.db2.gz JGCYZYZZASDHME-AWEZNQCLSA-N 0 1 296.414 2.882 20 30 CFEDMN C=CCN1CC([C@H](C)NC(=O)c2csc(Cl)c2)C1 ZINC000970529112 613673918 /nfs/dbraw/zinc/67/39/18/613673918.db2.gz MDWVGBMYYGUOKP-VIFPVBQESA-N 0 1 284.812 2.638 20 30 CFEDMN C=CCN1CCCN(C(=O)[C@@H](C)Cc2cccs2)CC1 ZINC000982057187 613690778 /nfs/dbraw/zinc/69/07/78/613690778.db2.gz ZCAPMLYKMFQVAG-AWEZNQCLSA-N 0 1 292.448 2.647 20 30 CFEDMN C=CCN1CCCN(C(=O)c2cccc3cc[nH]c32)CC1 ZINC000982012505 613698424 /nfs/dbraw/zinc/69/84/24/613698424.db2.gz ZZMHMVZLYGALRN-UHFFFAOYSA-N 0 1 283.375 2.502 20 30 CFEDMN C=CCN1CC[C@@H](C)[C@@H](NC(=O)c2cc(C)oc2C)C1 ZINC000965034341 613729231 /nfs/dbraw/zinc/72/92/31/613729231.db2.gz PVGMRSYMFKNWBR-ABAIWWIYSA-N 0 1 276.380 2.523 20 30 CFEDMN C=CCN1CC[C@@H](C)[C@@H](NC(=O)c2ccc(C(F)F)o2)C1 ZINC000968599082 613729628 /nfs/dbraw/zinc/72/96/28/613729628.db2.gz QQBXAJFZSFQPGO-MNOVXSKESA-N 0 1 298.333 2.843 20 30 CFEDMN C=CCN1CC[C@@H](C)[C@@H](NC(=O)c2cccc(F)c2F)C1 ZINC000968061501 613730560 /nfs/dbraw/zinc/73/05/60/613730560.db2.gz SMASOZNEYMQPSA-RISCZKNCSA-N 0 1 294.345 2.591 20 30 CFEDMN C=CCN1CC[C@@H](C)[C@H](NC(=O)C(F)=C2CCCC2)C1 ZINC000965894172 613732172 /nfs/dbraw/zinc/73/21/72/613732172.db2.gz DEYNDHVACBLMIV-TZMCWYRMSA-N 0 1 280.387 2.797 20 30 CFEDMN C=CCN1CC[C@@H](C)[C@H](NC(=O)CC2CCCCC2)C1 ZINC000964904238 613732842 /nfs/dbraw/zinc/73/28/42/613732842.db2.gz MKJOHXNZYTZYHI-GDBMZVCRSA-N 0 1 278.440 2.969 20 30 CFEDMN C=CCN1CC[C@H](C)[C@@H](NC(=O)c2cc(C)cc(F)c2)C1 ZINC000968349290 613768866 /nfs/dbraw/zinc/76/88/66/613768866.db2.gz HPDZTHOXTLKUSW-BBRMVZONSA-N 0 1 290.382 2.760 20 30 CFEDMN C=CCN1CC[C@H](C)[C@@H](NC(=O)c2ccc(C(F)F)o2)C1 ZINC000968599083 613768898 /nfs/dbraw/zinc/76/88/98/613768898.db2.gz QQBXAJFZSFQPGO-QWRGUYRKSA-N 0 1 298.333 2.843 20 30 CFEDMN C=CCN1CC[C@H](C)[C@@H](NC(=O)c2cccc(F)c2F)C1 ZINC000968061500 613769684 /nfs/dbraw/zinc/76/96/84/613769684.db2.gz SMASOZNEYMQPSA-FZMZJTMJSA-N 0 1 294.345 2.591 20 30 CFEDMN C=CCN1CC[C@H](C)[C@@H](NC(=O)c2ccnc(C3CC3)c2)C1 ZINC000967265519 613769770 /nfs/dbraw/zinc/76/97/70/613769770.db2.gz VRZQFYQCWYXJHS-GUYCJALGSA-N 0 1 299.418 2.585 20 30 CFEDMN C=CCN1CC[C@H](C)[C@@H](NC(=O)c2cccc(C)c2)C1 ZINC000964841281 613769874 /nfs/dbraw/zinc/76/98/74/613769874.db2.gz YLGRDNALDOTREA-HOCLYGCPSA-N 0 1 272.392 2.621 20 30 CFEDMN C=CCN1CC[C@H](C)[C@@H](NC(=O)c2csc(C)c2)C1 ZINC000968418420 613771111 /nfs/dbraw/zinc/77/11/11/613771111.db2.gz KMPAFFOFSDDHAJ-FZMZJTMJSA-N 0 1 278.421 2.683 20 30 CFEDMN C=CCN1CC[C@H](C)[C@H](NC(=O)c2cc(C)cc(F)c2)C1 ZINC000968349293 613773179 /nfs/dbraw/zinc/77/31/79/613773179.db2.gz HPDZTHOXTLKUSW-XJKSGUPXSA-N 0 1 290.382 2.760 20 30 CFEDMN C=CCN1CC[C@H](C)[C@H](NC(=O)c2cc[nH]c2C2CC2)C1 ZINC000968055243 613773271 /nfs/dbraw/zinc/77/32/71/613773271.db2.gz HWZCUBCYJCMACA-SWLSCSKDSA-N 0 1 287.407 2.518 20 30 CFEDMN C=CCN1C[C@@H](NC(=O)[C@@H]2C[C@H]2CC(C)C)C(C)(C)C1 ZINC000975058292 613807494 /nfs/dbraw/zinc/80/74/94/613807494.db2.gz ROUDBJSWQYWVFE-RBSFLKMASA-N 0 1 278.440 2.681 20 30 CFEDMN C=CCN1C[C@@H](NC(=O)[C@H]2C[C@@H]2c2ccccc2)C(C)(C)C1 ZINC000977270353 613809377 /nfs/dbraw/zinc/80/93/77/613809377.db2.gz ACHREYAXAFAZOG-IXDOHACOSA-N 0 1 298.430 2.803 20 30 CFEDMN C=CCN1C[C@@H](NC(=O)c2cc(C)c(CC)o2)C(C)(C)C1 ZINC000977457808 613809442 /nfs/dbraw/zinc/80/94/42/613809442.db2.gz ADAAESIUNUAWMB-OAHLLOKOSA-N 0 1 290.407 2.777 20 30 CFEDMN C=CCN1C[C@@H](NC(=O)c2ccc(C)cc2F)C(C)(C)C1 ZINC000975107191 613809889 /nfs/dbraw/zinc/80/98/89/613809889.db2.gz OTWVHLQNANNYKO-OAHLLOKOSA-N 0 1 290.382 2.760 20 30 CFEDMN C=CCN1C[C@H](NC(=O)C2(F)CCCCC2)C(C)(C)C1 ZINC000977417557 613826469 /nfs/dbraw/zinc/82/64/69/613826469.db2.gz IGMMLAUQQPRDJC-ZDUSSCGKSA-N 0 1 282.403 2.671 20 30 CFEDMN C=CCN1C[C@H](NC(=O)C2(C3CC3)CCC2)C(C)(C)C1 ZINC000974882806 613826503 /nfs/dbraw/zinc/82/65/03/613826503.db2.gz LBUIRGJUYOITKR-AWEZNQCLSA-N 0 1 276.424 2.579 20 30 CFEDMN C=CCN1C[C@H](NC(=O)C(C)(C)C2CCC2)C(C)(C)C1 ZINC000974873542 613826543 /nfs/dbraw/zinc/82/65/43/613826543.db2.gz UUCXLVUCYUIBOT-AWEZNQCLSA-N 0 1 278.440 2.825 20 30 CFEDMN C=CCN1C[C@H](NC(=O)C2CCCCC2)C(C)(C)C1 ZINC000972762362 613826570 /nfs/dbraw/zinc/82/65/70/613826570.db2.gz CADJSWSYGCVUQB-AWEZNQCLSA-N 0 1 264.413 2.579 20 30 CFEDMN C=CCN1C[C@H](NC(=O)C23CCC(CC2)CC3)C(C)(C)C1 ZINC000977603026 613826576 /nfs/dbraw/zinc/82/65/76/613826576.db2.gz JNBAIEJNQHXIPK-CSLYMUCUSA-N 0 1 290.451 2.969 20 30 CFEDMN C=CCN1C[C@H](NC(=O)[C@@]23C[C@@H]2CCCC3)C(C)(C)C1 ZINC000975010812 613828482 /nfs/dbraw/zinc/82/84/82/613828482.db2.gz IOPUIYNTGQFQHL-ZQIUZPCESA-N 0 1 276.424 2.579 20 30 CFEDMN C=CCN1C[C@H](NC(=O)c2ccc(F)cc2C)C(C)(C)C1 ZINC000977491838 613828658 /nfs/dbraw/zinc/82/86/58/613828658.db2.gz DTTCAFCQPOIYGU-HNNXBMFYSA-N 0 1 290.382 2.760 20 30 CFEDMN C=CCN1C[C@H](NC(=O)c2ccc(F)c(C)c2)C(C)(C)C1 ZINC000974974146 613828835 /nfs/dbraw/zinc/82/88/35/613828835.db2.gz NZMVIEPJTQNKSX-HNNXBMFYSA-N 0 1 290.382 2.760 20 30 CFEDMN C=CCN1C[C@H](NC(=O)c2coc(C(F)F)c2)C(C)(C)C1 ZINC000974988265 613829576 /nfs/dbraw/zinc/82/95/76/613829576.db2.gz WBVDYOMWXLQTJX-LBPRGKRZSA-N 0 1 298.333 2.843 20 30 CFEDMN C#CC[N@H+]1CC[C@@H]2[C@@H](CCCN2C(=O)c2ccccc2C)C1 ZINC001021508161 618035291 /nfs/dbraw/zinc/03/52/91/618035291.db2.gz GNSUJSLNBKOIGD-FUHWJXTLSA-N 0 1 296.414 2.555 20 30 CFEDMN C=CC[C@H]1CCN1Cc1ccc([N+](=O)[O-])cc1OC ZINC000934462446 618041116 /nfs/dbraw/zinc/04/11/16/618041116.db2.gz DIVUTGNZJDLNPP-LBPRGKRZSA-N 0 1 262.309 2.754 20 30 CFEDMN C=CC[C@@H]1CCN1[C@H](C(=O)OC(C)(C)C)C1CC1 ZINC000934463457 618041970 /nfs/dbraw/zinc/04/19/70/618041970.db2.gz WIFNSNNJSKIAKV-OLZOCXBDSA-N 0 1 251.370 2.757 20 30 CFEDMN COc1cccc(CNCC#Cc2ccccc2)c1 ZINC000051814171 618079014 /nfs/dbraw/zinc/07/90/14/618079014.db2.gz NNTUJZAIQJQHTQ-UHFFFAOYSA-N 0 1 251.329 2.837 20 30 CFEDMN C=CC[C@@H]1CCN1C(=O)c1c[nH]c2ccc(C)cc2c1=O ZINC000890558294 617650329 /nfs/dbraw/zinc/65/03/29/617650329.db2.gz AKWKLKQXBHMUMO-GFCCVEGCSA-N 0 1 282.343 2.627 20 30 CFEDMN C=CC(C)(C)NC(=O)NC[C@H](c1cccc(F)c1)N(C)C ZINC000891536350 617655391 /nfs/dbraw/zinc/65/53/91/617655391.db2.gz RXEJFSKRCKOGCO-CQSZACIVSA-N 0 1 293.386 2.692 20 30 CFEDMN C=CCNC(=O)CN[C@@H](C)c1cc2ccccc2c(OC)c1 ZINC000925977956 617716529 /nfs/dbraw/zinc/71/65/29/617716529.db2.gz XMHAFOJQBVPGJO-ZDUSSCGKSA-N 0 1 298.386 2.801 20 30 CFEDMN COC[C@H]1CCCN(Cc2cccc(C#N)c2F)C1 ZINC000219522804 617750070 /nfs/dbraw/zinc/75/00/70/617750070.db2.gz ADQWIHYKPMNZFD-LBPRGKRZSA-N 0 1 262.328 2.556 20 30 CFEDMN CN(Cc1cc(C#N)cs1)C[C@@H]1CC2(CCC2)C(=O)O1 ZINC000933773401 617775995 /nfs/dbraw/zinc/77/59/95/617775995.db2.gz MDAUUUSUQJKKID-LBPRGKRZSA-N 0 1 290.388 2.537 20 30 CFEDMN Cc1ccc(N=NCc2cnn(C3CCC3)c2)nc1 ZINC000901183094 620758693 /nfs/dbraw/zinc/75/86/93/620758693.db2.gz DNQVDNLCTDXPDY-UHFFFAOYSA-N 0 1 255.325 2.758 20 30 CFEDMN C=C1CCN(Cc2ccccc2O[C@H](C)C(=O)OC)CC1 ZINC000891944063 617842625 /nfs/dbraw/zinc/84/26/25/617842625.db2.gz XAVFENBDVHIICO-CQSZACIVSA-N 0 1 289.375 2.779 20 30 CFEDMN COc1cccc(NN=Cc2ccc(F)cc2C)n1 ZINC000779818138 617853206 /nfs/dbraw/zinc/85/32/06/617853206.db2.gz XWGSBXHYSOEWLI-UHFFFAOYSA-N 0 1 259.284 2.984 20 30 CFEDMN C=CCCCN(CC)C(=O)c1n[nH]c(CCC)c1[N+](=O)[O-] ZINC000890814562 617911482 /nfs/dbraw/zinc/91/14/82/617911482.db2.gz WNCUHBSOSUDLIX-UHFFFAOYSA-N 0 1 294.355 2.699 20 30 CFEDMN C=C(C)c1cccc(NC(=O)[C@H]2CCCc3n[nH]nc32)c1 ZINC000890890483 617935884 /nfs/dbraw/zinc/93/58/84/617935884.db2.gz WHIRWXRNQOUKSW-ZDUSSCGKSA-N 0 1 282.347 2.896 20 30 CFEDMN CC1(C)CN(Cc2csc(C#N)c2)CCCO1 ZINC000892075656 617939460 /nfs/dbraw/zinc/93/94/60/617939460.db2.gz LECVXHMCASVCQT-UHFFFAOYSA-N 0 1 250.367 2.621 20 30 CFEDMN CCn1cc(C=NNc2cc(Cl)ccn2)c(C)n1 ZINC000901214449 620765742 /nfs/dbraw/zinc/76/57/42/620765742.db2.gz AJALMOYUWOHICU-UHFFFAOYSA-N 0 1 263.732 2.706 20 30 CFEDMN CN1CCN(C(=O)C#Cc2ccccc2)C2(CCCCC2)C1 ZINC000176993810 617960126 /nfs/dbraw/zinc/96/01/26/617960126.db2.gz PWHRXZLLSJDCEH-UHFFFAOYSA-N 0 1 296.414 2.515 20 30 CFEDMN COc1cccc(N=NCc2c(Cl)n[nH]c2C2CC2)n1 ZINC000901215034 620766502 /nfs/dbraw/zinc/76/65/02/620766502.db2.gz GQMMYMXGMOIXSA-UHFFFAOYSA-N 0 1 291.742 2.790 20 30 CFEDMN C=CC[C@H]1CCN1C[C@](C)(O)C(F)(F)C(F)(F)F ZINC000934462620 618040837 /nfs/dbraw/zinc/04/08/37/618040837.db2.gz RLQKVJKUQSZOGA-IUCAKERBSA-N 0 1 273.245 2.585 20 30 CFEDMN C=CCNC(=O)NCc1cc(Cl)cc(Cl)c1O ZINC000804858419 618076100 /nfs/dbraw/zinc/07/61/00/618076100.db2.gz WABMSOWDSRPJRN-UHFFFAOYSA-N 0 1 275.135 2.684 20 30 CFEDMN C[C@@H]1CC(NN=Cc2cc(F)c(O)c(F)c2)C[C@@H](C)O1 ZINC000901311706 620782988 /nfs/dbraw/zinc/78/29/88/620782988.db2.gz VXLCKMFFDGGOJQ-RKDXNWHRSA-N 0 1 284.306 2.550 20 30 CFEDMN C=CC(C)(C)CC(=O)N1[C@H](C)CN(C)[C@H](C)[C@H]1C ZINC000892353848 618178388 /nfs/dbraw/zinc/17/83/88/618178388.db2.gz OICBIFMEOOZYQZ-JHJVBQTASA-N 0 1 252.402 2.528 20 30 CFEDMN N#Cc1cc(CN2CCN(Cc3ccccc3)CC2)cs1 ZINC000891391508 618183162 /nfs/dbraw/zinc/18/31/62/618183162.db2.gz UYSSHOPJJYRUQE-UHFFFAOYSA-N 0 1 297.427 2.938 20 30 CFEDMN COc1ccc(C(C)=NNc2cnn(C)c2)c(C)c1 ZINC000841635155 618193559 /nfs/dbraw/zinc/19/35/59/618193559.db2.gz FVDPPWMNWSSYOJ-UHFFFAOYSA-N 0 1 258.325 2.573 20 30 CFEDMN C#CCC1(NCc2cc(-c3ccco3)on2)CCC1 ZINC000933303198 618195625 /nfs/dbraw/zinc/19/56/25/618195625.db2.gz HMJDCAYQPMSVSX-UHFFFAOYSA-N 0 1 256.305 2.970 20 30 CFEDMN COc1ccc(C(=O)Nc2cc(C#N)ccc2O)c(OC)c1 ZINC000176813999 618204936 /nfs/dbraw/zinc/20/49/36/618204936.db2.gz KCJSOMYTZBDZEX-UHFFFAOYSA-N 0 1 298.298 2.533 20 30 CFEDMN N#Cc1ccc(O)c(NC(=O)c2cc(F)ccc2F)c1 ZINC000176828312 618207581 /nfs/dbraw/zinc/20/75/81/618207581.db2.gz UHFIFTGUFHOZOX-UHFFFAOYSA-N 0 1 274.226 2.794 20 30 CFEDMN COc1ccc(C#N)cc1CNC1([C@@H]2CCCCO2)CC1 ZINC000933376481 618215031 /nfs/dbraw/zinc/21/50/31/618215031.db2.gz ZQKMARSJAMLVQK-INIZCTEOSA-N 0 1 286.375 2.758 20 30 CFEDMN Clc1ccccc1C#CCN[C@]12C[C@H]1COC21CCC1 ZINC000933386295 618217250 /nfs/dbraw/zinc/21/72/50/618217250.db2.gz NDIALVZQUDMELR-WMLDXEAASA-N 0 1 287.790 2.993 20 30 CFEDMN CC(C)N(CCC#N)Cc1cc(F)cc(F)c1O ZINC000893959642 618253249 /nfs/dbraw/zinc/25/32/49/618253249.db2.gz NEKZYMFHYLNJMV-UHFFFAOYSA-N 0 1 254.280 2.794 20 30 CFEDMN CC1(C)CCC[C@@H](C(=O)C(C#N)C(=O)N2CCCC2)C1 ZINC000179379734 618268269 /nfs/dbraw/zinc/26/82/69/618268269.db2.gz DFTQCJFPOISGMV-CHWSQXEVSA-N 0 1 276.380 2.534 20 30 CFEDMN CC1(C)CCC[C@H](C(=O)C(C#N)C(=O)NC2CCCC2)C1 ZINC000179384855 618269265 /nfs/dbraw/zinc/26/92/65/618269265.db2.gz RTWCCFQCVCWRLG-JSGCOSHPSA-N 0 1 290.407 2.970 20 30 CFEDMN C#CCOc1ccc(CN(C)Cc2cccn2C)cc1 ZINC000093584666 618274747 /nfs/dbraw/zinc/27/47/47/618274747.db2.gz IWTBONBSZQRJSY-UHFFFAOYSA-N 0 1 268.360 2.669 20 30 CFEDMN C#C[C@H](N[C@H](C)c1ccc(OC)cc1)[C@@H]1CCCO1 ZINC000775574040 618280886 /nfs/dbraw/zinc/28/08/86/618280886.db2.gz NJAFCUSKCZLWEM-KCXAZCMYSA-N 0 1 259.349 2.527 20 30 CFEDMN CC#CCN1CCCC[C@@H]1CNC(=O)c1ccccc1C ZINC001024306963 618289348 /nfs/dbraw/zinc/28/93/48/618289348.db2.gz IWUWCMPQNLFIOD-MRXNPFEDSA-N 0 1 284.403 2.603 20 30 CFEDMN C=C[C@H]1CCCCN1Cc1ccc(OCCOC)o1 ZINC000894091076 618319362 /nfs/dbraw/zinc/31/93/62/618319362.db2.gz PUQPMUCHBURRDF-ZDUSSCGKSA-N 0 1 265.353 2.845 20 30 CFEDMN C#C[C@@H](OC(=O)c1cc(-c2ccc(C)o2)n[nH]1)C1CC1 ZINC000179539172 618324996 /nfs/dbraw/zinc/32/49/96/618324996.db2.gz VODIOQXMFYJEBN-CYBMUJFWSA-N 0 1 270.288 2.547 20 30 CFEDMN C#CCCCCC(=O)Nc1ccc(N2CCN(C)CC2)cc1 ZINC000179646125 618332868 /nfs/dbraw/zinc/33/28/68/618332868.db2.gz RKJRLCKWOMEUPQ-UHFFFAOYSA-N 0 1 299.418 2.571 20 30 CFEDMN Cc1ncc(C(=O)Nc2cc(C#N)ccc2O)c(C(C)C)n1 ZINC000179742907 618346338 /nfs/dbraw/zinc/34/63/38/618346338.db2.gz YKOCWKWMYPHEKF-UHFFFAOYSA-N 0 1 296.330 2.738 20 30 CFEDMN C=CCN1CCCC[C@H]1CNC(=O)c1cc2ncccc2o1 ZINC001024557736 618368462 /nfs/dbraw/zinc/36/84/62/618368462.db2.gz BAFMKWIPTJTKRC-ZDUSSCGKSA-N 0 1 299.374 2.598 20 30 CFEDMN C#CCN1CCCC[C@@H]1CNC(=O)C1CCC2(CC2)CC1 ZINC001024559114 618369816 /nfs/dbraw/zinc/36/98/16/618369816.db2.gz SSJGDLPKZCNVGV-MRXNPFEDSA-N 0 1 288.435 2.561 20 30 CFEDMN Cc1noc(C)c1/C=C\C(=O)c1ccc(O)cc1O ZINC000255867125 618390956 /nfs/dbraw/zinc/39/09/56/618390956.db2.gz QLOGGABHKILJQS-WAYWQWQTSA-N 0 1 259.261 2.599 20 30 CFEDMN C=CCCSCCN[C@H](C)c1cc(OC)no1 ZINC000926682588 618411458 /nfs/dbraw/zinc/41/14/58/618411458.db2.gz CHVOTFQQJUXVNN-SNVBAGLBSA-N 0 1 256.371 2.643 20 30 CFEDMN C=CCCSCCN[C@@H](C)c1nn(CC)nc1C ZINC000926686644 618423375 /nfs/dbraw/zinc/42/33/75/618423375.db2.gz WZCNJZIFCSMFTI-NSHDSACASA-N 0 1 268.430 2.566 20 30 CFEDMN CC#CCN1CCCC[C@@H]1CNC(=O)c1ccccc1CC ZINC001024620127 618423197 /nfs/dbraw/zinc/42/31/97/618423197.db2.gz NWBXVDPKSXQUOD-QGZVFWFLSA-N 0 1 298.430 2.857 20 30 CFEDMN C=CCN1CCCC[C@@H]1CNC(=O)c1ccc(F)c(C)c1 ZINC001024625545 618424799 /nfs/dbraw/zinc/42/47/99/618424799.db2.gz PQLBBODVEPQPPN-OAHLLOKOSA-N 0 1 290.382 2.904 20 30 CFEDMN C=CCN1CCCC[C@@H]1CNC(=O)c1cncc(Cl)c1 ZINC001024711925 618449875 /nfs/dbraw/zinc/44/98/75/618449875.db2.gz NAQZJLHDGHKRME-CQSZACIVSA-N 0 1 293.798 2.505 20 30 CFEDMN C#CCN1CCC[C@@H](Nc2ccc(-c3ccncc3)cn2)C1 ZINC000895203224 618467192 /nfs/dbraw/zinc/46/71/92/618467192.db2.gz VWRDIVBQOVFTNJ-QGZVFWFLSA-N 0 1 292.386 2.653 20 30 CFEDMN C=CCN1CCCC[C@@H]1CNC(=O)c1ccc2c(c1)CCC2 ZINC001024794524 618472508 /nfs/dbraw/zinc/47/25/08/618472508.db2.gz MLMFXUQHSDZVQE-GOSISDBHSA-N 0 1 298.430 2.946 20 30 CFEDMN Brc1ccc(N=NCc2cccnc2)nc1 ZINC000727266307 618473726 /nfs/dbraw/zinc/47/37/26/618473726.db2.gz OUHQPEKZXITHHI-UHFFFAOYSA-N 0 1 277.125 2.685 20 30 CFEDMN C=C(C)[C@H](CC(=O)OCc1nnc(C(C)(C)C)[nH]1)OCC ZINC000814461764 618475735 /nfs/dbraw/zinc/47/57/35/618475735.db2.gz DNVYBPWXFJNMJI-NSHDSACASA-N 0 1 295.383 2.517 20 30 CFEDMN C=C(C)[C@H](CC(=O)OCc1n[nH]c(C(C)(C)C)n1)OCC ZINC000814461764 618475739 /nfs/dbraw/zinc/47/57/39/618475739.db2.gz DNVYBPWXFJNMJI-NSHDSACASA-N 0 1 295.383 2.517 20 30 CFEDMN CCOc1cc(CN=Nc2ccc(C)cn2)ccc1O ZINC000727259880 618476064 /nfs/dbraw/zinc/47/60/64/618476064.db2.gz MJRYJIVJHMCHQK-UHFFFAOYSA-N 0 1 271.320 2.940 20 30 CFEDMN Cc1ccc(N=NC2CCN(Cc3ccccn3)CC2)nc1 ZINC000727259300 618476147 /nfs/dbraw/zinc/47/61/47/618476147.db2.gz BLFUKVNUDBUKTR-UHFFFAOYSA-N 0 1 295.390 2.849 20 30 CFEDMN COc1ccc(C(C)=NNc2ccc(C)cn2)c(O)c1 ZINC000727262853 618478387 /nfs/dbraw/zinc/47/83/87/618478387.db2.gz ABFNFNFWHVFIID-UHFFFAOYSA-N 0 1 271.320 2.940 20 30 CFEDMN Cc1cccc(C=NNc2cncnc2)c1OC(F)F ZINC000794978067 618500048 /nfs/dbraw/zinc/50/00/48/618500048.db2.gz ABLYCXJYKPOMGA-UHFFFAOYSA-N 0 1 278.262 2.832 20 30 CFEDMN COc1cc(C=NNc2cccc(F)n2)ccc1C#N ZINC000795005943 618524762 /nfs/dbraw/zinc/52/47/62/618524762.db2.gz AAFMBZIHUUXTKO-UHFFFAOYSA-N 0 1 270.267 2.547 20 30 CFEDMN N#CC[C@H]1CCCN(Cc2cccc3[nH]c(=O)oc32)C1 ZINC000895313058 618530110 /nfs/dbraw/zinc/53/01/10/618530110.db2.gz BTPBYPDSJXPGNF-LLVKDONJSA-N 0 1 271.320 2.659 20 30 CFEDMN C=CCC1(NCc2nnc(C(C)C)s2)CCOCC1 ZINC000895365423 618551468 /nfs/dbraw/zinc/55/14/68/618551468.db2.gz DETMULZFKCEXTE-UHFFFAOYSA-N 0 1 281.425 2.876 20 30 CFEDMN C=CCOCCCNCc1csc(C(F)(F)F)n1 ZINC000895377826 618557157 /nfs/dbraw/zinc/55/71/57/618557157.db2.gz OVPORMRIXUVIPA-UHFFFAOYSA-N 0 1 280.315 2.844 20 30 CFEDMN C#CCCN(CCOC)Cc1cn(C)nc1C1CCCC1 ZINC000895470703 618601944 /nfs/dbraw/zinc/60/19/44/618601944.db2.gz AIZNRKUDUNVWSV-UHFFFAOYSA-N 0 1 289.423 2.549 20 30 CFEDMN CC[C@@H](C#N)OC(=O)c1cccc2nc(C(F)F)[nH]c21 ZINC000924080193 618611645 /nfs/dbraw/zinc/61/16/45/618611645.db2.gz LMWSNFDESVAIFQ-ZETCQYMHSA-N 0 1 279.246 2.959 20 30 CFEDMN N#CC(C(=O)CCF)c1nc2ccccc2n1C(F)F ZINC000892538981 618621017 /nfs/dbraw/zinc/62/10/17/618621017.db2.gz QUIRYQKUHBDFHA-QMMMGPOBSA-N 0 1 281.237 2.967 20 30 CFEDMN Cc1cc(F)c(C#N)c(N2CCC(c3nc[nH]n3)CC2)c1 ZINC000892861780 618759087 /nfs/dbraw/zinc/75/90/87/618759087.db2.gz XVDAVHPEPZMEFX-UHFFFAOYSA-N 0 1 285.326 2.508 20 30 CFEDMN C=C(Cl)CN[C@H]1CCN(C(=O)[C@@H]2CC3CCC2CC3)C1 ZINC001019825816 618790338 /nfs/dbraw/zinc/79/03/38/618790338.db2.gz PEKUFVWCMWVWFG-PFSRBDOWSA-N 0 1 296.842 2.756 20 30 CFEDMN C#Cc1cncc(-c2noc([C@H]3CCCN3C(C)C)n2)c1 ZINC000924095367 618852846 /nfs/dbraw/zinc/85/28/46/618852846.db2.gz HCDNRRDJPSNUDW-CQSZACIVSA-N 0 1 282.347 2.658 20 30 CFEDMN CCCCCCCCCNC(=O)N[C@@H](C)c1nnc[nH]1 ZINC000182243229 618892258 /nfs/dbraw/zinc/89/22/58/618892258.db2.gz ABESJOKTAJUCMN-LBPRGKRZSA-N 0 1 281.404 2.916 20 30 CFEDMN CCC1CC(=O)C(=CNc2ccc3c[nH]nc3c2)C(=O)C1 ZINC000194958584 618943456 /nfs/dbraw/zinc/94/34/56/618943456.db2.gz FAYGNEQJFKMAES-UHFFFAOYSA-N 0 1 283.331 2.817 20 30 CFEDMN CCC[C@@H](C#N)NC(=O)c1ccc(CN2CCCCC2)o1 ZINC000931329483 618948741 /nfs/dbraw/zinc/94/87/41/618948741.db2.gz UWXBBJPDLTUJRT-ZDUSSCGKSA-N 0 1 289.379 2.688 20 30 CFEDMN C=C(C)CN1CCC[C@H](NC(=O)c2ccc(C)cc2)C1 ZINC001009310692 618989253 /nfs/dbraw/zinc/98/92/53/618989253.db2.gz FVVUZMVEYDSLJC-INIZCTEOSA-N 0 1 272.392 2.765 20 30 CFEDMN C=C(C)CN1CCC[C@H](NC(=O)[C@@H]2CC3CCC2CC3)C1 ZINC001009653551 619007322 /nfs/dbraw/zinc/00/73/22/619007322.db2.gz YJSWPIDEWYVOHA-SJJHQCBESA-N 0 1 290.451 2.969 20 30 CFEDMN C=CCN1CCC[C@@H](NC(=O)C23CC(C(C)(C)C)(C2)C3)C1 ZINC001009703551 619015300 /nfs/dbraw/zinc/01/53/00/619015300.db2.gz QSVPQPFAXHJMME-RWBZWWBESA-N 0 1 290.451 2.969 20 30 CFEDMN N#C[C@@H](c1ccc(Cl)cc1)N1CCc2nccc(N)c2C1 ZINC000931515574 619019360 /nfs/dbraw/zinc/01/93/60/619019360.db2.gz GUHVUDJCDBKVCG-INIZCTEOSA-N 0 1 298.777 2.940 20 30 CFEDMN N#CCCCNCc1cnc(CC(F)(F)F)s1 ZINC000893514434 619029892 /nfs/dbraw/zinc/02/98/92/619029892.db2.gz LFCRMNMBCLLMLS-UHFFFAOYSA-N 0 1 263.288 2.641 20 30 CFEDMN C[C@H](C#N)CNC1CC(c2ccc(F)cc2F)C1 ZINC000893545629 619062770 /nfs/dbraw/zinc/06/27/70/619062770.db2.gz USZQVVCVLUKYGB-GRZMOONWSA-N 0 1 250.292 2.960 20 30 CFEDMN C=C[C@@H]1CCCCN1c1nc(Cl)nc2[nH]cnc21 ZINC000893551808 619067136 /nfs/dbraw/zinc/06/71/36/619067136.db2.gz PEWSIZYHLNBCEB-MRVPVSSYSA-N 0 1 263.732 2.551 20 30 CFEDMN C#C[C@@H](NCc1ccc(CC(C)C)nc1)[C@@H]1CCCO1 ZINC000893677542 619154090 /nfs/dbraw/zinc/15/40/90/619154090.db2.gz VTMAKUXBMOHOIR-SJORKVTESA-N 0 1 272.392 2.551 20 30 CFEDMN N#Cc1ccc(CN2C[C@@H]3C[C@]3(c3ccccc3)C2)o1 ZINC000931923564 619158834 /nfs/dbraw/zinc/15/88/34/619158834.db2.gz PPUYLVOLXFOZDW-WMLDXEAASA-N 0 1 264.328 2.925 20 30 CFEDMN COC(=O)c1ccc(CN=Nc2cccc(F)c2F)[nH]1 ZINC000747632100 619258211 /nfs/dbraw/zinc/25/82/11/619258211.db2.gz HDDFKFCIJMJBQZ-UHFFFAOYSA-N 0 1 279.246 2.526 20 30 CFEDMN Cc1ccc(N=NC2COc3c2cccc3C)nc1 ZINC000814831947 619262315 /nfs/dbraw/zinc/26/23/15/619262315.db2.gz YITIHDJEMQPCCQ-UHFFFAOYSA-N 0 1 253.305 2.907 20 30 CFEDMN Cn1c2ccccc2nc1C(C#N)C(=O)C1(C)CCOCC1 ZINC000726859020 619266307 /nfs/dbraw/zinc/26/63/07/619266307.db2.gz VWXHRKOGVFHSGN-LBPRGKRZSA-N 0 1 297.358 2.566 20 30 CFEDMN C=C(Br)CNCc1cc(C)cc(OC)c1O ZINC000894241881 619277697 /nfs/dbraw/zinc/27/76/97/619277697.db2.gz NZWXTKVHMZEXHT-UHFFFAOYSA-N 0 1 286.169 2.707 20 30 CFEDMN C#C[C@@H](C)NCc1ccc(Br)cc1NC(C)=O ZINC000894383412 619360595 /nfs/dbraw/zinc/36/05/95/619360595.db2.gz JQXROHKZJINEGU-SECBINFHSA-N 0 1 295.180 2.519 20 30 CFEDMN C=CC(C)(C)NC(=O)NCCN(CC)CCC(F)(F)F ZINC000894430112 619382470 /nfs/dbraw/zinc/38/24/70/619382470.db2.gz QFCXTVOEHPFEKT-UHFFFAOYSA-N 0 1 295.349 2.525 20 30 CFEDMN C#Cc1ccc(CNCc2cc(C3CC3)nn2C)cc1 ZINC000894874695 619493577 /nfs/dbraw/zinc/49/35/77/619493577.db2.gz WOOYUTORGXRPER-UHFFFAOYSA-N 0 1 265.360 2.569 20 30 CFEDMN N#Cc1cc(CN2CCC(c3ccncn3)CC2)cs1 ZINC000894885237 619498760 /nfs/dbraw/zinc/49/87/60/619498760.db2.gz GDGFIIAHAJTCCS-UHFFFAOYSA-N 0 1 284.388 2.789 20 30 CFEDMN C=CCC[C@H](NCc1cc(F)cc(F)c1O)C(=O)OCC ZINC000894917022 619512436 /nfs/dbraw/zinc/51/24/36/619512436.db2.gz MRLUKEAMBGNLSG-ZDUSSCGKSA-N 0 1 299.317 2.658 20 30 CFEDMN FC(F)(F)[C@@H](CNCC#Cc1ccccc1)n1cccn1 ZINC000895548379 619549287 /nfs/dbraw/zinc/54/92/87/619549287.db2.gz RZQAVZQWFZZOGT-CQSZACIVSA-N 0 1 293.292 2.628 20 30 CFEDMN C=C[C@H](CC)CC(=O)OCc1nc(C(C)C)n[nH]1 ZINC000909525937 619571559 /nfs/dbraw/zinc/57/15/59/619571559.db2.gz SOVSEOFEWKNRMR-SNVBAGLBSA-N 0 1 251.330 2.574 20 30 CFEDMN C=C[C@H](CC)CC(=O)OCc1n[nH]c(C(C)C)n1 ZINC000909525937 619571560 /nfs/dbraw/zinc/57/15/60/619571560.db2.gz SOVSEOFEWKNRMR-SNVBAGLBSA-N 0 1 251.330 2.574 20 30 CFEDMN CC(C)(NCc1nc(C#N)cs1)[C@H](O)c1ccccc1 ZINC000895661530 619578516 /nfs/dbraw/zinc/57/85/16/619578516.db2.gz JEIWUTUOOQTMDJ-CQSZACIVSA-N 0 1 287.388 2.617 20 30 CFEDMN C#CCN1CCC(Nc2ncc(Cl)cc2Cl)CC1 ZINC000895803088 619611728 /nfs/dbraw/zinc/61/17/28/619611728.db2.gz BLHUBZGKMQMOFD-UHFFFAOYSA-N 0 1 284.190 2.898 20 30 CFEDMN C=CCC1(O)CCN(Cc2c[nH]c(-c3ccccc3)n2)CC1 ZINC000895836151 619620075 /nfs/dbraw/zinc/62/00/75/619620075.db2.gz XHIMHIKOTSFIKN-UHFFFAOYSA-N 0 1 297.402 2.980 20 30 CFEDMN N#Cc1cccc(CN2C[C@H]3C[C@@]3(c3ccccc3)C2)n1 ZINC000896230322 619697637 /nfs/dbraw/zinc/69/76/37/619697637.db2.gz DMSXSCPIIZBCMH-QAPCUYQASA-N 0 1 275.355 2.727 20 30 CFEDMN N#Cc1cccc(C[N@H+]2CCC[C@@H](Cc3nccs3)C2)n1 ZINC000896527886 619753504 /nfs/dbraw/zinc/75/35/04/619753504.db2.gz JZEWNRYKXZYNCH-ZDUSSCGKSA-N 0 1 298.415 2.864 20 30 CFEDMN N#Cc1cccc(CN2CCC[C@@H](Cc3nccs3)C2)n1 ZINC000896527886 619753507 /nfs/dbraw/zinc/75/35/07/619753507.db2.gz JZEWNRYKXZYNCH-ZDUSSCGKSA-N 0 1 298.415 2.864 20 30 CFEDMN Cc1coc(CN2CCC[C@H](Nc3ccc(C#N)cn3)C2)c1 ZINC000896650802 619783147 /nfs/dbraw/zinc/78/31/47/619783147.db2.gz NBXKLELYENGKNW-HNNXBMFYSA-N 0 1 296.374 2.931 20 30 CFEDMN Cc1ccoc1CN1CCC[C@@H](Nc2ccc(C#N)cn2)C1 ZINC000896653810 619783552 /nfs/dbraw/zinc/78/35/52/619783552.db2.gz HAEHYLZIBPUURP-OAHLLOKOSA-N 0 1 296.374 2.931 20 30 CFEDMN N#CC[C@@H](NCc1ccc(F)c(F)c1O)C(F)(F)F ZINC000896697329 619793364 /nfs/dbraw/zinc/79/33/64/619793364.db2.gz QUGXVHMCQKWODF-MRVPVSSYSA-N 0 1 280.196 2.605 20 30 CFEDMN C#CCN(C(=O)c1cc(-c2ccc(OC)cc2)[nH]n1)C(C)C ZINC000928626575 619829113 /nfs/dbraw/zinc/82/91/13/619829113.db2.gz LWQSOJPZLFRZPD-UHFFFAOYSA-N 0 1 297.358 2.569 20 30 CFEDMN C[C@]1(CNCc2cc(C#N)cnc2Cl)CCCCO1 ZINC000896922930 619890416 /nfs/dbraw/zinc/89/04/16/619890416.db2.gz CTWUZSRIEGWOGP-CQSZACIVSA-N 0 1 279.771 2.655 20 30 CFEDMN C[C@H](CCC#N)CN1CCn2c(cnc2C(F)(F)F)C1 ZINC000896931725 619895271 /nfs/dbraw/zinc/89/52/71/619895271.db2.gz NWWQCOOTNVXYBD-SNVBAGLBSA-N 0 1 286.301 2.657 20 30 CFEDMN C=C(Cl)CN(C)C1CCN(C(=O)C=C(C)C)CC1 ZINC000985230727 619930979 /nfs/dbraw/zinc/93/09/79/619930979.db2.gz JHNWDSMYTYTAAD-UHFFFAOYSA-N 0 1 270.804 2.628 20 30 CFEDMN CC#CCN(C)Cc1c[nH]nc1-c1ccc(F)cc1 ZINC000897166946 619942329 /nfs/dbraw/zinc/94/23/29/619942329.db2.gz UZYDOTUYBMJOBU-UHFFFAOYSA-N 0 1 257.312 2.671 20 30 CFEDMN C#CCN1CCC(NC(=O)[C@@H](CCC)c2ccccc2)CC1 ZINC000928660902 619952733 /nfs/dbraw/zinc/95/27/33/619952733.db2.gz JOIZYESIVKJNKU-SFHVURJKSA-N 0 1 298.430 2.784 20 30 CFEDMN C=C(Cl)CN(C)C1CCN(C(=O)c2[nH]ccc2C)CC1 ZINC000985412244 619970187 /nfs/dbraw/zinc/97/01/87/619970187.db2.gz RWFMNXQMPOPMLI-UHFFFAOYSA-N 0 1 295.814 2.612 20 30 CFEDMN Cc1csc(C[C@H]2CCN(Cc3cccc(C#N)n3)C2)n1 ZINC000897301744 619973626 /nfs/dbraw/zinc/97/36/26/619973626.db2.gz SQSPAPKUJKBBJA-CYBMUJFWSA-N 0 1 298.415 2.783 20 30 CFEDMN C=CCCC[C@@H](C)NC(=O)[C@@H]1CCN1C(C)(C)C ZINC000897315496 619983303 /nfs/dbraw/zinc/98/33/03/619983303.db2.gz KMHDNMWGLCNUGI-OLZOCXBDSA-N 0 1 252.402 2.720 20 30 CFEDMN C=CC1CCN(C[C@@H](O)c2cc(F)ccc2F)CC1 ZINC000304012023 619983626 /nfs/dbraw/zinc/98/36/26/619983626.db2.gz VIDNGURVGPQLAR-OAHLLOKOSA-N 0 1 267.319 2.896 20 30 CFEDMN C#CCC1(NCc2ncc(C(=O)OC)s2)CCCCC1 ZINC000897336755 619999729 /nfs/dbraw/zinc/99/97/29/619999729.db2.gz OGBDATNKQSZUAV-UHFFFAOYSA-N 0 1 292.404 2.746 20 30 CFEDMN C=C(Cl)CN[C@@H]1CCN(C(=O)CC2CCCC2)[C@H]1C ZINC000985906149 620051086 /nfs/dbraw/zinc/05/10/86/620051086.db2.gz YRDNTQDVTSFHCK-GXTWGEPZSA-N 0 1 284.831 2.898 20 30 CFEDMN C=C(Cl)CN[C@@H]1CCN(C(=O)c2cccc(F)c2)[C@@H]1C ZINC000985926046 620052976 /nfs/dbraw/zinc/05/29/76/620052976.db2.gz PCPWXXFUZXRMAS-BXUZGUMPSA-N 0 1 296.773 2.771 20 30 CFEDMN C=C(Cl)CN[C@H]1CCN(C(=O)CCC2CCC2)[C@H]1C ZINC000986116913 620068559 /nfs/dbraw/zinc/06/85/59/620068559.db2.gz QDOITTLKEGNFOM-JSGCOSHPSA-N 0 1 284.831 2.898 20 30 CFEDMN C=C(Cl)CN[C@@H]1CCN(C(=O)CC2CCC2)[C@@H]1C ZINC000986138397 620072235 /nfs/dbraw/zinc/07/22/35/620072235.db2.gz YKQCCOYQWPWAHO-DGCLKSJQSA-N 0 1 270.804 2.508 20 30 CFEDMN C=C(Cl)CN[C@@H]1CCN(C(=O)C2CC3(CCC3)C2)[C@H]1C ZINC000986670344 620096462 /nfs/dbraw/zinc/09/64/62/620096462.db2.gz CBMTYFCHVTXTOG-GXTWGEPZSA-N 0 1 296.842 2.898 20 30 CFEDMN C=C(Cl)CN[C@@H]1C[C@@H](C)N(C(=O)C(CC)CC)C1 ZINC000988102650 620161936 /nfs/dbraw/zinc/16/19/36/620161936.db2.gz LGRATUSSEQQJSZ-DGCLKSJQSA-N 0 1 272.820 2.754 20 30 CFEDMN CCCCCCCSc1nc2[nH]ncc2c(=O)[nH]1 ZINC000192450312 620228639 /nfs/dbraw/zinc/22/86/39/620228639.db2.gz WMDQPZPASWDKBE-UHFFFAOYSA-N 0 1 266.370 2.709 20 30 CFEDMN C=C(Cl)CN[C@H]1C[C@@H](C)N(C(=O)c2cocc2C)C1 ZINC000989291278 620243141 /nfs/dbraw/zinc/24/31/41/620243141.db2.gz NUTBANIKUVCPPH-NEPJUHHUSA-N 0 1 282.771 2.533 20 30 CFEDMN N#Cc1ccc([C@H]2CN(Cc3ccccc3O)CCO2)cc1 ZINC000897592262 620253225 /nfs/dbraw/zinc/25/32/25/620253225.db2.gz TXGQGBCMURZMML-GOSISDBHSA-N 0 1 294.354 2.837 20 30 CFEDMN CC[C@](C)(CN1CCO[C@@H](c2ccc(C#N)cc2)C1)OC ZINC000897595635 620254696 /nfs/dbraw/zinc/25/46/96/620254696.db2.gz DRHNRUAWGPXUEP-IAGOWNOFSA-N 0 1 288.391 2.747 20 30 CFEDMN COc1ccsc1CN1CCC2(CC1)CC(=O)C=CO2 ZINC000897602854 620255891 /nfs/dbraw/zinc/25/58/91/620255891.db2.gz XQVCISCWVZNLHT-UHFFFAOYSA-N 0 1 293.388 2.594 20 30 CFEDMN C#CCCN1CCCN(C(=O)C2(CC)CCCCC2)CC1 ZINC000989719782 620388072 /nfs/dbraw/zinc/38/80/72/620388072.db2.gz LMBNRARDWWTHSW-UHFFFAOYSA-N 0 1 290.451 2.905 20 30 CFEDMN C#CCN1CC[C@@]2(NC(=O)C(F)=C3CCCC3)CCC[C@H]12 ZINC000990226216 620412555 /nfs/dbraw/zinc/41/25/55/620412555.db2.gz ZRWDERWLTRJCGW-YOEHRIQHSA-N 0 1 290.382 2.530 20 30 CFEDMN C#CCN1CC[C@]2(NC(=O)C(F)=C3CCCC3)CCC[C@H]12 ZINC000990226215 620412714 /nfs/dbraw/zinc/41/27/14/620412714.db2.gz ZRWDERWLTRJCGW-WMLDXEAASA-N 0 1 290.382 2.530 20 30 CFEDMN CC(C)N1CCC[C@@H]1C(=O)OCc1ccc(F)c(C#N)c1 ZINC000923891189 620443862 /nfs/dbraw/zinc/44/38/62/620443862.db2.gz XMKTWNASWSPUCL-OAHLLOKOSA-N 0 1 290.338 2.613 20 30 CFEDMN CC(C)N1CCC[C@H]1C(=O)OCC1CCC(C#N)CC1 ZINC000923891612 620443948 /nfs/dbraw/zinc/44/39/48/620443948.db2.gz OYCZVZVRYCXIHB-NRXISQOPSA-N 0 1 278.396 2.732 20 30 CFEDMN C=C(Cl)CN(C)C1CCN(CC(F)(F)F)CC1 ZINC000832620134 625426569 /nfs/dbraw/zinc/42/65/69/625426569.db2.gz CGTGEZULYWVUQA-UHFFFAOYSA-N 0 1 270.726 2.697 20 30 CFEDMN C=CC(C)(C)NCc1cccnc1Br ZINC000898460564 620466902 /nfs/dbraw/zinc/46/69/02/620466902.db2.gz OLXGYSWEDAHPFQ-UHFFFAOYSA-N 0 1 255.159 2.898 20 30 CFEDMN CCCCCCCNC(=O)c1cncc2nc[nH]c21 ZINC000899124849 620523833 /nfs/dbraw/zinc/52/38/33/620523833.db2.gz CUFUUANQLDXLED-UHFFFAOYSA-N 0 1 260.341 2.658 20 30 CFEDMN C=C1CCC(C(=O)N2CCN(C)[C@@H](C(C)C)C2)CC1 ZINC000899180295 620529097 /nfs/dbraw/zinc/52/90/97/620529097.db2.gz XKUWKFQHZNPJNL-OAHLLOKOSA-N 0 1 264.413 2.531 20 30 CFEDMN Cn1nc2c(c1/C=C\C(=O)c1cc(F)ccc1O)CCC2 ZINC000899361651 620552689 /nfs/dbraw/zinc/55/26/89/620552689.db2.gz AKWCPJKEHBXGLM-VURMDHGXSA-N 0 1 286.306 2.650 20 30 CFEDMN COc1ccc(C(=O)/C=C\c2cn(C)nc2C2CC2)c(O)c1 ZINC000899361917 620553279 /nfs/dbraw/zinc/55/32/79/620553279.db2.gz FOIIJTRPCGDRNV-YVMONPNESA-N 0 1 298.342 2.908 20 30 CFEDMN C#CCCCCCC[N@@H+]1C[C@@H]2CCC[C@]2(C(=O)[O-])C1 ZINC000901519400 620854846 /nfs/dbraw/zinc/85/48/46/620854846.db2.gz PPHUDSNLWIZJHP-HOCLYGCPSA-N 0 1 263.381 2.757 20 30 CFEDMN C=CC[N@@H+](CC(=O)[O-])Cc1ccc(OC(C)C)c(OC)c1 ZINC000901585967 620862325 /nfs/dbraw/zinc/86/23/25/620862325.db2.gz GQAQTQQERSZWCN-UHFFFAOYSA-N 0 1 293.363 2.555 20 30 CFEDMN C=CC[N@@H+](CC(=O)[O-])Cc1cccc(SCC)c1 ZINC000901585790 620869790 /nfs/dbraw/zinc/86/97/90/620869790.db2.gz DVCPYLFWCVMYPN-UHFFFAOYSA-N 0 1 265.378 2.871 20 30 CFEDMN N#CCC[C@@H](C#N)CNC[C@@H]1CCCC2(CCC2)O1 ZINC000901607036 620872591 /nfs/dbraw/zinc/87/25/91/620872591.db2.gz JMTLYKJVCUYJJH-KBPBESRZSA-N 0 1 261.369 2.511 20 30 CFEDMN C=CCOc1ccc(C[N@@H+](CCC(=O)[O-])CC2CC2)cc1 ZINC000901613405 620873782 /nfs/dbraw/zinc/87/37/82/620873782.db2.gz YJHHUFPJFSTQNN-UHFFFAOYSA-N 0 1 289.375 2.938 20 30 CFEDMN N#CCC[C@@H](C#N)CNC[C@]1(c2ccccc2)CCCO1 ZINC000901630183 620875462 /nfs/dbraw/zinc/87/54/62/620875462.db2.gz HNBKGQYNLBZCAC-RDJZCZTQSA-N 0 1 283.375 2.725 20 30 CFEDMN C#CCCCCCC[N@@H+]1C[C@@H](C(=O)[O-])[C@H](C(F)(F)F)C1 ZINC000901968093 620947242 /nfs/dbraw/zinc/94/72/42/620947242.db2.gz RLKJAWTVDXDVIL-VXGBXAGGSA-N 0 1 291.313 2.765 20 30 CFEDMN CN(C)c1ccc(C(N)=NOCCCC(C)(F)F)cc1 ZINC000902217599 620999567 /nfs/dbraw/zinc/99/95/67/620999567.db2.gz HHRASGQXYBYLRM-UHFFFAOYSA-N 0 1 285.338 2.825 20 30 CFEDMN C[C@H](C#N)OCCN[C@H](C)c1ccc(F)cc1F ZINC000801940412 621239453 /nfs/dbraw/zinc/23/94/53/621239453.db2.gz XHTLPGPBRGJPCD-NXEZZACHSA-N 0 1 254.280 2.544 20 30 CFEDMN C[C@@H]1CCN(C(=O)OC(C)(C)C)C[C@H]1NCC1(C#N)CC1 ZINC000903105597 621255238 /nfs/dbraw/zinc/25/52/38/621255238.db2.gz FJQJQGZDINQCPK-CHWSQXEVSA-N 0 1 293.411 2.525 20 30 CFEDMN C[C@H](NCC1(C#N)CC1)[C@@H]1COc2ccccc2C1 ZINC000903108949 621256214 /nfs/dbraw/zinc/25/62/14/621256214.db2.gz ITAKOFMCOKGPHN-JSGCOSHPSA-N 0 1 256.349 2.520 20 30 CFEDMN C[C@@H]1CC[N@@H+](Cc2cc(Cl)cc(C#N)c2)C[C@H]1C(=O)[O-] ZINC000903409631 621364459 /nfs/dbraw/zinc/36/44/59/621364459.db2.gz WSWYZCJWOJJBPM-QMTHXVAHSA-N 0 1 292.766 2.754 20 30 CFEDMN C#CC[C@H]1CCC[N@H+](Cc2cc(C(=O)[O-])ccc2OC)C1 ZINC000903602221 621399582 /nfs/dbraw/zinc/39/95/82/621399582.db2.gz MSBKLCAOMHGTAX-ZDUSSCGKSA-N 0 1 287.359 2.629 20 30 CFEDMN C=CC[C@H](C)[N@@H+]1CCc2c(C(=O)[O-])ccc(OC)c2C1 ZINC000903607869 621401934 /nfs/dbraw/zinc/40/19/34/621401934.db2.gz NOIVLENEZNHGRP-NSHDSACASA-N 0 1 275.348 2.716 20 30 CFEDMN N#CCC[N@@H+](Cc1ccc(C(=O)[O-])s1)CC1CC1 ZINC000903672976 621416332 /nfs/dbraw/zinc/41/63/32/621416332.db2.gz VJIFFWVGVPSIGK-UHFFFAOYSA-N 0 1 264.350 2.572 20 30 CFEDMN N#CCC[N@H+](Cc1ccc(C(=O)[O-])s1)CC1CC1 ZINC000903672976 621416333 /nfs/dbraw/zinc/41/63/33/621416333.db2.gz VJIFFWVGVPSIGK-UHFFFAOYSA-N 0 1 264.350 2.572 20 30 CFEDMN N#Cc1csc(C[N@@H+]2CCCC[C@@H]2CCC(=O)[O-])c1 ZINC000903694722 621419853 /nfs/dbraw/zinc/41/98/53/621419853.db2.gz DZDKRWBQJNWCLF-GFCCVEGCSA-N 0 1 278.377 2.839 20 30 CFEDMN C=CC(C)(C)CCCNC(=O)c1ccc(CN(C)C)nc1 ZINC000832718102 625492711 /nfs/dbraw/zinc/49/27/11/625492711.db2.gz AOHOJYAELHPAOC-UHFFFAOYSA-N 0 1 289.423 2.865 20 30 CFEDMN CCCCN(O)C(=O)c1ccc(CN(CC)CC)o1 ZINC000904208936 621545081 /nfs/dbraw/zinc/54/50/81/621545081.db2.gz MXBUORDEPHEUSR-UHFFFAOYSA-N 0 1 268.357 2.753 20 30 CFEDMN CCn1nnc(C)c1/C=C\C(=O)c1cccc(CN(C)C)c1 ZINC000905077881 621689723 /nfs/dbraw/zinc/68/97/23/621689723.db2.gz IHZMFTRBUFNAFO-KTKRTIGZSA-N 0 1 298.390 2.564 20 30 CFEDMN C[C@@](O)(CN[C@H](CCC#N)c1ccccc1)C(F)F ZINC000905179218 621711723 /nfs/dbraw/zinc/71/17/23/621711723.db2.gz IHSYBVORWXTCAO-TZMCWYRMSA-N 0 1 268.307 2.637 20 30 CFEDMN Cn1cc(CN=Nc2ccccn2)c(C2CCCC2)n1 ZINC000905421760 621765460 /nfs/dbraw/zinc/76/54/60/621765460.db2.gz UTAVRTLRHHLBIE-UHFFFAOYSA-N 0 1 269.352 2.919 20 30 CFEDMN Fc1cccc(F)c1N=NC1C[C@H]2CCC[N@H+](C1)C2 ZINC000905447050 621767036 /nfs/dbraw/zinc/76/70/36/621767036.db2.gz RRVHDJMVVHGKTB-SNVBAGLBSA-N 0 1 265.307 2.848 20 30 CFEDMN Fc1cccc(F)c1N=NC1C[C@H]2CCCN(C1)C2 ZINC000905447050 621767039 /nfs/dbraw/zinc/76/70/39/621767039.db2.gz RRVHDJMVVHGKTB-SNVBAGLBSA-N 0 1 265.307 2.848 20 30 CFEDMN CC(C)(C)c1coc(CN=Nc2ccncc2Cl)n1 ZINC000905453731 621775319 /nfs/dbraw/zinc/77/53/19/621775319.db2.gz CLSIKSKVXPZGCU-UHFFFAOYSA-N 0 1 278.743 2.888 20 30 CFEDMN C=CCNC(=O)[C@@H](C)N[C@@H](CC)c1cc(F)ccc1OC ZINC000905861525 621881506 /nfs/dbraw/zinc/88/15/06/621881506.db2.gz HRQBQAHKDDNOLJ-RISCZKNCSA-N 0 1 294.370 2.566 20 30 CFEDMN N#Cc1cc(-c2cnc([C@H]3CCCCN3)nc2)ccc1F ZINC000906171898 621943937 /nfs/dbraw/zinc/94/39/37/621943937.db2.gz KGLYCGCYMVWDDC-OAHLLOKOSA-N 0 1 282.322 2.969 20 30 CFEDMN N#Cc1ccc(-c2cnc([C@H]3CCCCN3)nc2)s1 ZINC000906163233 621950964 /nfs/dbraw/zinc/95/09/64/621950964.db2.gz BYDCGMZOHALOOV-GFCCVEGCSA-N 0 1 270.361 2.891 20 30 CFEDMN C=CCN1CC[C@H](NC(=O)[C@@H](C)c2ccc(CC)cc2)C1 ZINC001015859565 625527926 /nfs/dbraw/zinc/52/79/26/625527926.db2.gz FTIFCOGQWIWLHS-YOEHRIQHSA-N 0 1 286.419 2.729 20 30 CFEDMN C=CC1CCN(C(=O)c2n[nH]c(C)c2C(F)(F)F)CC1 ZINC000906647056 622024574 /nfs/dbraw/zinc/02/45/74/622024574.db2.gz LMOMJDCMYBFVPF-UHFFFAOYSA-N 0 1 287.285 2.775 20 30 CFEDMN N#Cc1ccc(O)c(NC(=O)[C@]2(C#N)CC3CCC2CC3)c1 ZINC000907145169 622087993 /nfs/dbraw/zinc/08/79/93/622087993.db2.gz NRZDEDADJDCFGW-YUNLISADSA-N 0 1 295.342 2.922 20 30 CFEDMN N#Cc1ccc(O)c(NC(=O)C2(C3CC3)CCC2)c1 ZINC000907144408 622090537 /nfs/dbraw/zinc/09/05/37/622090537.db2.gz IOLCYAVVHLMLCF-UHFFFAOYSA-N 0 1 256.305 2.783 20 30 CFEDMN C=CC(C)(C)NS(=O)(=O)c1c(F)c(F)ccc1Cl ZINC000908466187 622233169 /nfs/dbraw/zinc/23/31/69/622233169.db2.gz FTCAHBCIHHMWHV-UHFFFAOYSA-N 0 1 295.738 2.861 20 30 CFEDMN C=CCCC(=O)[C@H]1CCCN1C(=O)c1cccc2n[nH]cc21 ZINC000908641142 622259090 /nfs/dbraw/zinc/25/90/90/622259090.db2.gz AAGZUMATLRVIEO-OAHLLOKOSA-N 0 1 297.358 2.703 20 30 CFEDMN C#C[C@@H](C)NC(=O)N1CCC[C@@H]1c1nc2ccc(C)cc2[nH]1 ZINC000820430072 622672444 /nfs/dbraw/zinc/67/24/44/622672444.db2.gz ZJERFJBCRGVZNO-IUODEOHRSA-N 0 1 296.374 2.740 20 30 CFEDMN C=CCC1(NC(=O)[C@H]2CCN2C(C)(C)C)CCCC1 ZINC000912522572 622738221 /nfs/dbraw/zinc/73/82/21/622738221.db2.gz OMUXQPAPIMUEMC-CYBMUJFWSA-N 0 1 264.413 2.864 20 30 CFEDMN CC(C)(C(=O)NCC1(C#N)CCCCC1)N1CCCCC1 ZINC000912529453 622741097 /nfs/dbraw/zinc/74/10/97/622741097.db2.gz YTSRSASZHICEBW-UHFFFAOYSA-N 0 1 291.439 2.841 20 30 CFEDMN Cn1cccc1CN=Nc1nc2cc(F)c(F)cc2[nH]1 ZINC000912825391 622781453 /nfs/dbraw/zinc/78/14/53/622781453.db2.gz XCSIXVDLOHEJKT-UHFFFAOYSA-N 0 1 275.262 2.626 20 30 CFEDMN Fc1cc2nc(NN=Cc3ccc[nH]3)[nH]c2cc1F ZINC000912825406 622781921 /nfs/dbraw/zinc/78/19/21/622781921.db2.gz YFPZHMRRLPHDEM-UHFFFAOYSA-N 0 1 261.235 2.615 20 30 CFEDMN C=CC[C@@H](C(=O)N1CC[C@H](N2CCC2)C1)c1ccccc1 ZINC000912911107 622793557 /nfs/dbraw/zinc/79/35/57/622793557.db2.gz ZDKFHAKXLOLNMA-DLBZAZTESA-N 0 1 284.403 2.653 20 30 CFEDMN CCCCCCCNC(=O)c1cccc2nc(CO)[nH]c21 ZINC000912972069 622815489 /nfs/dbraw/zinc/81/54/89/622815489.db2.gz ULULDBAWOADCJA-UHFFFAOYSA-N 0 1 289.379 2.755 20 30 CFEDMN COc1cc(C(=O)/C=C\c2cc(F)c(O)c(F)c2)on1 ZINC000821022080 622824270 /nfs/dbraw/zinc/82/42/70/622824270.db2.gz NZWKDVMXXRMYRU-IHWYPQMZSA-N 0 1 281.214 2.563 20 30 CFEDMN CN(C)CC#CCNC(=O)C1CCC(c2ccccc2)CC1 ZINC000913518907 622910918 /nfs/dbraw/zinc/91/09/18/622910918.db2.gz FYSVOCADOPQNGS-UHFFFAOYSA-N 0 1 298.430 2.642 20 30 CFEDMN C=CCc1cc(CN2C[C@@H](C)OC[C@H]2C)c(O)c(OC)c1 ZINC000163954038 622932175 /nfs/dbraw/zinc/93/21/75/622932175.db2.gz FYURKUPDGKSUEE-CHWSQXEVSA-N 0 1 291.391 2.739 20 30 CFEDMN CC[C@@H](CNC(=O)C#CC(C)C)N1CCc2ccccc2C1 ZINC000821496867 622933923 /nfs/dbraw/zinc/93/39/23/622933923.db2.gz UBCHBRCOWAHTRH-SFHVURJKSA-N 0 1 298.430 2.599 20 30 CFEDMN C=CC[N@H+](CC(=O)[O-])Cc1ccc(F)c(C(F)(F)F)c1 ZINC000164102044 622936768 /nfs/dbraw/zinc/93/67/68/622936768.db2.gz LPJAJTNSMJJFGU-UHFFFAOYSA-N 0 1 291.244 2.917 20 30 CFEDMN COc1ccc(C(=O)/C=C/c2cnc3ccccn23)c(O)c1 ZINC000156615275 622952046 /nfs/dbraw/zinc/95/20/46/622952046.db2.gz KTYJQJJUOJTIQO-VMPITWQZSA-N 0 1 294.310 2.945 20 30 CFEDMN COc1ccc(/C=C/C(=O)c2cc(O)ccc2O)cc1C#N ZINC000156649972 622952633 /nfs/dbraw/zinc/95/26/33/622952633.db2.gz ZDJQVVHKXWVVCV-GORDUTHDSA-N 0 1 295.294 2.874 20 30 CFEDMN O=C(/C=C/c1cccc2c1OCO2)c1ccc(O)cc1O ZINC000156636573 622952940 /nfs/dbraw/zinc/95/29/40/622952940.db2.gz FMFKSHKRYFFVQW-QPJJXVBHSA-N 0 1 284.267 2.723 20 30 CFEDMN CNC(=O)c1ccc(/C=C/C(=O)c2cc(F)ccc2O)cc1 ZINC000156676405 622953582 /nfs/dbraw/zinc/95/35/82/622953582.db2.gz FUNVRZPEIOLHEZ-XBXARRHUSA-N 0 1 299.301 2.787 20 30 CFEDMN C=CCc1cc(OC)cc(CN2CCO[C@H](C)[C@@H]2C)c1O ZINC000164515243 622958300 /nfs/dbraw/zinc/95/83/00/622958300.db2.gz NDHHNSJORWCYMX-QWHCGFSZSA-N 0 1 291.391 2.739 20 30 CFEDMN Cc1cc(C#N)cc(NC(=O)[C@H]2CCCN2C(C)C)c1 ZINC000822063329 623025916 /nfs/dbraw/zinc/02/59/16/623025916.db2.gz CALOJVLATDEXMW-OAHLLOKOSA-N 0 1 271.364 2.678 20 30 CFEDMN CN(Cc1ccccc1C#N)C[C@@](C)(O)c1ccccc1 ZINC000822517268 623120169 /nfs/dbraw/zinc/12/01/69/623120169.db2.gz WBUNWOWMPRJRCN-GOSISDBHSA-N 0 1 280.371 2.898 20 30 CFEDMN CC(C)CN(CCC#N)C(=O)c1c(O)cccc1F ZINC000228846756 623165757 /nfs/dbraw/zinc/16/57/57/623165757.db2.gz XSVSWNUZKNBIGE-UHFFFAOYSA-N 0 1 264.300 2.543 20 30 CFEDMN CCCCCCC[C@H](C)CNC(=O)Cc1n[nH]c(C)n1 ZINC000823062471 623226149 /nfs/dbraw/zinc/22/61/49/623226149.db2.gz MIDZYCOVEPBVHC-LBPRGKRZSA-N 0 1 280.416 2.768 20 30 CFEDMN Cc1nn(C)cc1[C@H](C)NCc1ccc(O[C@H](C)C#N)cc1 ZINC000171764840 623242390 /nfs/dbraw/zinc/24/23/90/623242390.db2.gz VPYNNEWJZFYABW-OLZOCXBDSA-N 0 1 298.390 2.870 20 30 CFEDMN C#CCOc1ccc(CN[C@@H](C)c2ccccn2)cc1 ZINC000172111673 623263556 /nfs/dbraw/zinc/26/35/56/623263556.db2.gz FERSQEWUKGOMBL-AWEZNQCLSA-N 0 1 266.344 2.944 20 30 CFEDMN Cc1nc(C)c(CNCC#Cc2ccccc2)s1 ZINC000076892020 623315191 /nfs/dbraw/zinc/31/51/91/623315191.db2.gz DDJLNFXVBGLCKW-UHFFFAOYSA-N 0 1 256.374 2.901 20 30 CFEDMN COc1ccccc1NC(=O)C(C#N)C(=O)CC1CCC1 ZINC000173977700 623378889 /nfs/dbraw/zinc/37/88/89/623378889.db2.gz UEXOROPPZYTARD-GFCCVEGCSA-N 0 1 286.331 2.533 20 30 CFEDMN CCCCC[C@@H](C)CC(=O)[C@H](C#N)C(=O)NC(C)C ZINC000173981792 623379157 /nfs/dbraw/zinc/37/91/57/623379157.db2.gz LSHOCDSEHMEXAB-OLZOCXBDSA-N 0 1 266.385 2.826 20 30 CFEDMN Cc1[nH]ncc1CN(C)C(=O)C(C)(C)c1ccc(C#N)cc1 ZINC000824062192 623443281 /nfs/dbraw/zinc/44/32/81/623443281.db2.gz HPFDYLSHMJBJAU-UHFFFAOYSA-N 0 1 296.374 2.526 20 30 CFEDMN C=C[C@@H](CC)CC(=O)N1C[C@@H](C)N(CC)[C@@H](C)C1 ZINC000824214254 623470256 /nfs/dbraw/zinc/47/02/56/623470256.db2.gz HESAXJRUHGAOLB-MJBXVCDLSA-N 0 1 252.402 2.530 20 30 CFEDMN N#C[C@@H]1CC[C@@H](NCc2cc(F)cnc2Cl)C1 ZINC000824542855 623520595 /nfs/dbraw/zinc/52/05/95/623520595.db2.gz CMSAPBKFIKSMFP-LDYMZIIASA-N 0 1 253.708 2.656 20 30 CFEDMN C=CCC[C@H](C(=O)NC12CCN(CC1)C2)c1ccccc1 ZINC000913632844 623537079 /nfs/dbraw/zinc/53/70/79/623537079.db2.gz ANUILBDGASOIHV-INIZCTEOSA-N 0 1 284.403 2.701 20 30 CFEDMN C=CCCONC(=O)Cc1csc(C2CCCC2)n1 ZINC000824660258 623541274 /nfs/dbraw/zinc/54/12/74/623541274.db2.gz RIIKMGHIPKKCHO-UHFFFAOYSA-N 0 1 280.393 2.967 20 30 CFEDMN C=CC1(CC(=O)N2CC(N3CCCC3)C2)CCCCC1 ZINC000824864979 623580349 /nfs/dbraw/zinc/58/03/49/623580349.db2.gz AYJRCNSCKYJFKJ-UHFFFAOYSA-N 0 1 276.424 2.820 20 30 CFEDMN C#CCN1CC[C@@]2(NC(=O)c3ccc(CC)cc3)CCC[C@@H]12 ZINC000992474340 623593632 /nfs/dbraw/zinc/59/36/32/623593632.db2.gz ACLZOKUCSCQICC-MJGOQNOKSA-N 0 1 296.414 2.609 20 30 CFEDMN C=C(CC)CNCc1cc2c(C)nn(C)c2nc1Cl ZINC000825221726 623652796 /nfs/dbraw/zinc/65/27/96/623652796.db2.gz WPCWHSTZLPKSHK-UHFFFAOYSA-N 0 1 278.787 2.986 20 30 CFEDMN C=C1CCC(CNC(=O)NCCCc2cn[nH]c2C)CC1 ZINC000913999916 623669980 /nfs/dbraw/zinc/66/99/80/623669980.db2.gz ZVZSZDAYSASGJB-UHFFFAOYSA-N 0 1 290.411 2.696 20 30 CFEDMN CC(C)NC(=O)[C@@H](C#N)C(=O)CC1CCC(C)(C)CC1 ZINC000152367929 623687364 /nfs/dbraw/zinc/68/73/64/623687364.db2.gz LCHVEAIOMQDQNM-ZDUSSCGKSA-N 0 1 278.396 2.826 20 30 CFEDMN CC(C)NC(=O)[C@H](C#N)C(=O)C[C@H]1CCCCC1(C)C ZINC000152372044 623688966 /nfs/dbraw/zinc/68/89/66/623688966.db2.gz PRUAVISMKHBFOM-CHWSQXEVSA-N 0 1 278.396 2.826 20 30 CFEDMN Cc1cc(O)c(CNCC(C)(C)C#N)cc1Cl ZINC000825502138 623704325 /nfs/dbraw/zinc/70/43/25/623704325.db2.gz UNSMBDUZXKSGER-UHFFFAOYSA-N 0 1 252.745 2.993 20 30 CFEDMN C=CCN1CC[C@H](NC(=O)[C@@H](c2ccccc2)C2CC2)C1 ZINC001015268078 623710428 /nfs/dbraw/zinc/71/04/28/623710428.db2.gz FELTWTMJQDCCMK-IRXDYDNUSA-N 0 1 284.403 2.557 20 30 CFEDMN CCn1nccc1/C=C/C(=O)c1ccc(C)cc1O ZINC000152669004 623750632 /nfs/dbraw/zinc/75/06/32/623750632.db2.gz QQKOXIQRDFCMLK-FNORWQNLSA-N 0 1 256.305 2.813 20 30 CFEDMN CC#CC[N@H+]1CCC[C@@H](NC(=O)c2cccc(C)c2)[C@@H]1C ZINC000992981380 623827559 /nfs/dbraw/zinc/82/75/59/623827559.db2.gz JZUFHQVVWCARLL-DOTOQJQBSA-N 0 1 284.403 2.601 20 30 CFEDMN CC#CCN1CCC[C@@H](NC(=O)c2cccc(C)c2)[C@@H]1C ZINC000992981380 623827569 /nfs/dbraw/zinc/82/75/69/623827569.db2.gz JZUFHQVVWCARLL-DOTOQJQBSA-N 0 1 284.403 2.601 20 30 CFEDMN CC#CC[N@H+]1CCC[C@@H](NC(=O)c2cccc(C)c2)[C@H]1C ZINC000992981404 623829157 /nfs/dbraw/zinc/82/91/57/623829157.db2.gz JZUFHQVVWCARLL-NVXWUHKLSA-N 0 1 284.403 2.601 20 30 CFEDMN CC#CCN1CCC[C@@H](NC(=O)c2cccc(C)c2)[C@H]1C ZINC000992981404 623829162 /nfs/dbraw/zinc/82/91/62/623829162.db2.gz JZUFHQVVWCARLL-NVXWUHKLSA-N 0 1 284.403 2.601 20 30 CFEDMN CC#CCN1CCC[C@H](NC(=O)CC2CCCC2)[C@H]1C ZINC000992990095 623831903 /nfs/dbraw/zinc/83/19/03/623831903.db2.gz XKWCMIWVQAOADV-ZBFHGGJFSA-N 0 1 276.424 2.559 20 30 CFEDMN C=CC[N@@H+]1CCC[C@H](NC(=O)C2CCCCC2)[C@H]1C ZINC000992987382 623834822 /nfs/dbraw/zinc/83/48/22/623834822.db2.gz NYLINTISQOPNEE-HIFRSBDPSA-N 0 1 264.413 2.722 20 30 CFEDMN C=CCN1CCC[C@H](NC(=O)C2CCCCC2)[C@H]1C ZINC000992987382 623834829 /nfs/dbraw/zinc/83/48/29/623834829.db2.gz NYLINTISQOPNEE-HIFRSBDPSA-N 0 1 264.413 2.722 20 30 CFEDMN Cc1cc(C#N)cc(C)c1C[N@@H+](CCO)Cc1cccnc1 ZINC000929839809 623911554 /nfs/dbraw/zinc/91/15/54/623911554.db2.gz INOLBGNFMIQJNW-UHFFFAOYSA-N 0 1 295.386 2.565 20 30 CFEDMN Cc1cc(C#N)cc(C)c1CN(CCO)Cc1cccnc1 ZINC000929839809 623911555 /nfs/dbraw/zinc/91/15/55/623911555.db2.gz INOLBGNFMIQJNW-UHFFFAOYSA-N 0 1 295.386 2.565 20 30 CFEDMN N#CCCCCOC(=O)c1cc(-c2ccco2)n[nH]1 ZINC000914627548 623911566 /nfs/dbraw/zinc/91/15/66/623911566.db2.gz RCTPBMRGZPUBSA-UHFFFAOYSA-N 0 1 259.265 2.520 20 30 CFEDMN C=CC[C@H]1CCCN(Cc2cnn(C)c2Cl)C1 ZINC000826947719 623913545 /nfs/dbraw/zinc/91/35/45/623913545.db2.gz SLTKQXCKQBWOER-NSHDSACASA-N 0 1 253.777 2.862 20 30 CFEDMN CCOC(=O)C(C)(C)ON=C1CCCc2cc(N)ccc21 ZINC000835006852 623930798 /nfs/dbraw/zinc/93/07/98/623930798.db2.gz DTLGKNXDMRJACY-UHFFFAOYSA-N 0 1 290.363 2.668 20 30 CFEDMN C[C@@H]1CN(Cc2ccccc2)CC1=NOC[C@H]1CCOC1 ZINC000788033658 623965018 /nfs/dbraw/zinc/96/50/18/623965018.db2.gz JZYKOLMCVBVGAB-ZBFHGGJFSA-N 0 1 288.391 2.547 20 30 CFEDMN C=CCN1CCC[C@H](NC(=O)c2cscc2C)[C@H]1C ZINC000993166943 623972541 /nfs/dbraw/zinc/97/25/41/623972541.db2.gz DMDXZFBAHRDVLQ-OCCSQVGLSA-N 0 1 278.421 2.825 20 30 CFEDMN CCC[C@@H](C(=O)[C@@H](C#N)C(=O)NC1CCCC1)C(C)C ZINC000153450261 623977076 /nfs/dbraw/zinc/97/70/76/623977076.db2.gz FSIJPRRDHKTJRB-ZIAGYGMSSA-N 0 1 278.396 2.826 20 30 CFEDMN C[C@@H](CC#N)C(=O)N[C@@H](C)c1nc2ccc(Cl)cc2[nH]1 ZINC000827347320 623992137 /nfs/dbraw/zinc/99/21/37/623992137.db2.gz ONUIPSQSMSKSBB-IUCAKERBSA-N 0 1 290.754 2.943 20 30 CFEDMN CCCC(=O)C(C#N)C(=O)Nc1ccc(Cl)cc1 ZINC000193398780 623994348 /nfs/dbraw/zinc/99/43/48/623994348.db2.gz HFTOIFWBANJMQL-LLVKDONJSA-N 0 1 264.712 2.787 20 30 CFEDMN C#C[C@H](NCc1sccc1Cl)C1CCOCC1 ZINC000827560158 624031103 /nfs/dbraw/zinc/03/11/03/624031103.db2.gz MJYCAMGQYKDSRM-LBPRGKRZSA-N 0 1 269.797 2.920 20 30 CFEDMN C=CCN1CCC[C@H](NC(=O)c2ccoc2Cl)[C@@H]1C ZINC000993215036 624041898 /nfs/dbraw/zinc/04/18/98/624041898.db2.gz LIQSJXFJDXVXGJ-JQWIXIFHSA-N 0 1 282.771 2.702 20 30 CFEDMN C[C@@]1(C#N)CCN(Cc2cccc(Br)c2O)C1 ZINC000827650339 624052347 /nfs/dbraw/zinc/05/23/47/624052347.db2.gz OXNUWGQMROMARV-ZDUSSCGKSA-N 0 1 295.180 2.890 20 30 CFEDMN CCSc1ccccc1C(=O)NC1=NO[C@@H](C)C1 ZINC000765377442 624070384 /nfs/dbraw/zinc/07/03/84/624070384.db2.gz GTDOZTOGUFXROU-VIFPVBQESA-N 0 1 264.350 2.651 20 30 CFEDMN C#CCCN(CCOC)Cc1cnc(C(C)(C)C)s1 ZINC000827822701 624102440 /nfs/dbraw/zinc/10/24/40/624102440.db2.gz CFJFYFJPHZNMTA-UHFFFAOYSA-N 0 1 280.437 2.912 20 30 CFEDMN C#CCCN(CCOC)Cc1cnc(-c2ccco2)s1 ZINC000827826431 624103705 /nfs/dbraw/zinc/10/37/05/624103705.db2.gz GFJIMJNCDMMVDH-UHFFFAOYSA-N 0 1 290.388 2.875 20 30 CFEDMN C#CCCN(CCOC)Cc1cnn(-c2ccccc2C)c1 ZINC000827826685 624103884 /nfs/dbraw/zinc/10/38/84/624103884.db2.gz KEJZAJKSLMETFY-UHFFFAOYSA-N 0 1 297.402 2.652 20 30 CFEDMN N#Cc1ccc(O)c(NC(=O)[C@@]2(C#N)CC23CCCC3)c1 ZINC000827828812 624104997 /nfs/dbraw/zinc/10/49/97/624104997.db2.gz GCKOVAZRXFOECF-INIZCTEOSA-N 0 1 281.315 2.676 20 30 CFEDMN C=CCN1CCC[C@H](NC(=O)c2cc3ncccc3o2)[C@H]1C ZINC000993603612 624153710 /nfs/dbraw/zinc/15/37/10/624153710.db2.gz NGIANZFVQLKENJ-OLZOCXBDSA-N 0 1 299.374 2.597 20 30 CFEDMN C=CCN1CCC[C@@H](NC(=O)c2occ3c2CCC3)[C@@H]1C ZINC000993638463 624155542 /nfs/dbraw/zinc/15/55/42/624155542.db2.gz FKTOBZKACZOVCA-SWLSCSKDSA-N 0 1 288.391 2.537 20 30 CFEDMN C#CCN1CCC[C@@H](NC(=O)C2CCC3(CC3)CC2)[C@H]1C ZINC000993629128 624156740 /nfs/dbraw/zinc/15/67/40/624156740.db2.gz YWOCMWDMUNFNDM-GDBMZVCRSA-N 0 1 288.435 2.559 20 30 CFEDMN C=C(C)CN1CCC[C@H](NC(=O)c2csc(C)n2)[C@@H]1C ZINC000993692877 624162328 /nfs/dbraw/zinc/16/23/28/624162328.db2.gz KAINDVCJDLLPHW-AAEUAGOBSA-N 0 1 293.436 2.610 20 30 CFEDMN C=CCN1CCC[C@@H](NC(=O)c2ccc3[nH]ccc3c2)[C@@H]1C ZINC000993738452 624163318 /nfs/dbraw/zinc/16/33/18/624163318.db2.gz BLVOGGBYIBMFAO-XJKSGUPXSA-N 0 1 297.402 2.937 20 30 CFEDMN C#CCCN1CCC[C@@H](NC(=O)c2occc2Cl)[C@H]1C ZINC000993782545 624167233 /nfs/dbraw/zinc/16/72/33/624167233.db2.gz ZVACPZWSYHRBPA-DGCLKSJQSA-N 0 1 294.782 2.539 20 30 CFEDMN C=Cc1ccc(C(=O)N[C@H]2CCCN(CC#CC)[C@H]2C)cc1 ZINC000993817518 624169494 /nfs/dbraw/zinc/16/94/94/624169494.db2.gz BVITZCSLJKWQEN-YJBOKZPZSA-N 0 1 296.414 2.936 20 30 CFEDMN C=CCN1CCC[C@@H](NC(=O)c2ccc(C)cc2F)[C@H]1C ZINC000993870360 624173974 /nfs/dbraw/zinc/17/39/74/624173974.db2.gz GACZPQYMAAUPDM-CZUORRHYSA-N 0 1 290.382 2.903 20 30 CFEDMN C=CCN1CCC[C@H](NC(=O)c2csc(Cl)n2)[C@@H]1C ZINC000994170968 624180108 /nfs/dbraw/zinc/18/01/08/624180108.db2.gz VKTQSWGHDBJYGV-UWVGGRQHSA-N 0 1 299.827 2.565 20 30 CFEDMN C=CCN1CCC[C@@H](NC(=O)c2c[nH]cc2C2CC2)[C@H]1C ZINC000994132458 624180386 /nfs/dbraw/zinc/18/03/86/624180386.db2.gz GRUURZNZUMOPMW-MLGOLLRUSA-N 0 1 287.407 2.661 20 30 CFEDMN CC(=NNC(=N)N)c1ccc(Oc2ccccc2)cc1 ZINC000915959108 624193652 /nfs/dbraw/zinc/19/36/52/624193652.db2.gz JFHGGJQSUWGELU-UHFFFAOYSA-N 0 1 268.320 2.686 20 30 CFEDMN Clc1cccc(C=NNCCN2CCCCC2)c1 ZINC000915973381 624198813 /nfs/dbraw/zinc/19/88/13/624198813.db2.gz HBHAXKDJUHFWIX-UHFFFAOYSA-N 0 1 265.788 2.749 20 30 CFEDMN Cn1c2ccccc2nc1NN=Cc1cccc2c1OCO2 ZINC000915971448 624198852 /nfs/dbraw/zinc/19/88/52/624198852.db2.gz VUJYAACFKFNXIP-UHFFFAOYSA-N 0 1 294.314 2.748 20 30 CFEDMN Oc1ccc2ccccc2c1C=NNCCN1CCCCC1 ZINC000915973656 624198884 /nfs/dbraw/zinc/19/88/84/624198884.db2.gz LIQVFQKMYIJQHN-UHFFFAOYSA-N 0 1 297.402 2.955 20 30 CFEDMN CCC(=NNCCN1CCCCC1)c1ccccc1 ZINC000915973911 624198897 /nfs/dbraw/zinc/19/88/97/624198897.db2.gz OMGWQIFOQMOOLL-UHFFFAOYSA-N 0 1 259.397 2.876 20 30 CFEDMN FC(F)(F)c1n[nH]c(=S)n1N=C[C@@H]1CC=CCC1 ZINC000916305215 624238132 /nfs/dbraw/zinc/23/81/32/624238132.db2.gz MOOFHDPPWQISSN-SSDOTTSWSA-N 0 1 276.287 2.776 20 30 CFEDMN C#CCN1CCC[C@@H](NC(=O)c2cc(C)cc(C)c2)[C@@H]1C ZINC000994293867 624274975 /nfs/dbraw/zinc/27/49/75/624274975.db2.gz CLUKXRNEDMWILX-DOTOQJQBSA-N 0 1 284.403 2.519 20 30 CFEDMN C=CC[N@@H+]1CCC[C@H](NC(=O)c2c(F)cccc2F)[C@H]1C ZINC000994301915 624275178 /nfs/dbraw/zinc/27/51/78/624275178.db2.gz TZQZWXUPDZSHTA-RISCZKNCSA-N 0 1 294.345 2.734 20 30 CFEDMN C=CCN1CCC[C@H](NC(=O)c2c(F)cccc2F)[C@H]1C ZINC000994301915 624275179 /nfs/dbraw/zinc/27/51/79/624275179.db2.gz TZQZWXUPDZSHTA-RISCZKNCSA-N 0 1 294.345 2.734 20 30 CFEDMN C#CCN1CCC[C@H](NC(=O)c2cc(C)cc(C)c2)[C@@H]1C ZINC000994293871 624275214 /nfs/dbraw/zinc/27/52/14/624275214.db2.gz CLUKXRNEDMWILX-RDJZCZTQSA-N 0 1 284.403 2.519 20 30 CFEDMN C=CCN1CCC[C@H](NC(=O)c2cc(F)cc(F)c2)[C@@H]1C ZINC000994343315 624277318 /nfs/dbraw/zinc/27/73/18/624277318.db2.gz CHCUUAKGDSUQQG-NHYWBVRUSA-N 0 1 294.345 2.734 20 30 CFEDMN C#CCC[N@@H+]1CCC[C@H](NC(=O)c2ccc(C)c(C)c2)[C@H]1C ZINC000994352847 624278019 /nfs/dbraw/zinc/27/80/19/624278019.db2.gz OHJHHNNNXZVUPA-AEFFLSMTSA-N 0 1 298.430 2.909 20 30 CFEDMN CCc1ccc(NC(=O)C(C#N)C(=O)CC2CC2)cc1 ZINC000916914198 624293067 /nfs/dbraw/zinc/29/30/67/624293067.db2.gz XFJLGNLGPRTAOG-AWEZNQCLSA-N 0 1 270.332 2.696 20 30 CFEDMN C=CCN1CCC[C@@H](NC(=O)C2CCC=CCC2)[C@@H]1C ZINC000994456893 624303261 /nfs/dbraw/zinc/30/32/61/624303261.db2.gz XEMQLBAXTVEHOA-GOEBONIOSA-N 0 1 276.424 2.888 20 30 CFEDMN C=CCN1CCC[C@H](NC(=O)C2CCC=CCC2)[C@H]1C ZINC000994456903 624303272 /nfs/dbraw/zinc/30/32/72/624303272.db2.gz XEMQLBAXTVEHOA-ZBFHGGJFSA-N 0 1 276.424 2.888 20 30 CFEDMN C=CCN(CC(=O)N[C@@H]1CCC[C@H](C)[C@@H]1C)C(C)C ZINC000917071074 624307674 /nfs/dbraw/zinc/30/76/74/624307674.db2.gz NMJCSFNPLHXPIX-SOUVJXGZSA-N 0 1 266.429 2.824 20 30 CFEDMN C=CCN(CC(=O)N(C)C1CCC(C)CC1)C(C)C ZINC000917071164 624307721 /nfs/dbraw/zinc/30/77/21/624307721.db2.gz PCHIHWYGGWTWQQ-UHFFFAOYSA-N 0 1 266.429 2.920 20 30 CFEDMN C=CCN(CC(=O)NCCO[C@@H]1CCCC[C@@H]1C)C(C)C ZINC000917168720 624320295 /nfs/dbraw/zinc/32/02/95/624320295.db2.gz XYCNTHMHVZHGCO-JKSUJKDBSA-N 0 1 296.455 2.594 20 30 CFEDMN C=CCN(CC(=O)N[C@H](C)Cc1ccccc1C)C(C)C ZINC000917167798 624320695 /nfs/dbraw/zinc/32/06/95/624320695.db2.gz ATDKFMLKUKWAGR-MRXNPFEDSA-N 0 1 288.435 2.939 20 30 CFEDMN COc1ccc(Cl)cc1C=NNCCN1CCCCC1 ZINC000917544899 624352297 /nfs/dbraw/zinc/35/22/97/624352297.db2.gz KGTOZLAKTXZPMU-UHFFFAOYSA-N 0 1 295.814 2.758 20 30 CFEDMN COc1ccc(CON=C(N)c2ccc(N(C)C)cc2)cc1 ZINC000918185270 624426379 /nfs/dbraw/zinc/42/63/79/624426379.db2.gz IFUQVEQYLTZKAW-UHFFFAOYSA-N 0 1 299.374 2.598 20 30 CFEDMN C#CC[C@H]1CCCN(Cc2csc([N+](=O)[O-])c2)C1 ZINC000829779626 624534716 /nfs/dbraw/zinc/53/47/16/624534716.db2.gz XQBLIILPONWBOW-NSHDSACASA-N 0 1 264.350 2.892 20 30 CFEDMN C#CC[C@H]1CCCN(Cc2cccc(C(=O)OC)c2C#N)C1 ZINC000829805146 624546945 /nfs/dbraw/zinc/54/69/45/624546945.db2.gz PQHYZYKJQKBNIN-AWEZNQCLSA-N 0 1 296.370 2.580 20 30 CFEDMN C#CC[C@@H]1CCCN([C@H](C(=O)OC)c2ccccc2C)C1 ZINC000829810665 624550839 /nfs/dbraw/zinc/55/08/39/624550839.db2.gz SSKFLTIKXXAPSI-WBVHZDCISA-N 0 1 285.387 2.944 20 30 CFEDMN C#CCN(CC)C[C@@H](O)c1ccc2ccccc2c1 ZINC000920095239 624676862 /nfs/dbraw/zinc/67/68/62/624676862.db2.gz MNVJCJXWRFJZBP-QGZVFWFLSA-N 0 1 253.345 2.828 20 30 CFEDMN C#CC1CCN(CC(=O)Nc2ccc(C)c(C)c2)CC1 ZINC000830329872 624709759 /nfs/dbraw/zinc/70/97/59/624709759.db2.gz KOFZTYRMXSNXIC-UHFFFAOYSA-N 0 1 270.376 2.587 20 30 CFEDMN COc1cccc2c1OCCC2N=Nc1ccccn1 ZINC000920365333 624714910 /nfs/dbraw/zinc/71/49/10/624714910.db2.gz SNCMZFDJRFSZLU-UHFFFAOYSA-N 0 1 269.304 2.689 20 30 CFEDMN C#CCCN1CCN(Cc2c(F)cccc2Cl)CC1 ZINC000920417367 624720934 /nfs/dbraw/zinc/72/09/34/624720934.db2.gz CZGCCDOJLZRWKQ-UHFFFAOYSA-N 0 1 280.774 2.620 20 30 CFEDMN C=CCN1CC[C@@H](NC(=O)[C@@]2(C)C[C@@H]2c2ccccc2)C1 ZINC001015823828 624927551 /nfs/dbraw/zinc/92/75/51/624927551.db2.gz AUHHWTIOSHYVGU-NUJGCVRESA-N 0 1 284.403 2.557 20 30 CFEDMN O=C(/C=C/c1cc(F)c(O)c(F)c1)c1cccnc1 ZINC000175315497 624947025 /nfs/dbraw/zinc/94/70/25/624947025.db2.gz GDPUFHBUDFNGRY-ONEGZZNKSA-N 0 1 261.227 2.962 20 30 CFEDMN N#Cc1ccc(O)c(NC(=O)CCSc2ccccn2)c1 ZINC000179739010 624976106 /nfs/dbraw/zinc/97/61/06/624976106.db2.gz CNUOPTPMOQSGFW-UHFFFAOYSA-N 0 1 299.355 2.780 20 30 CFEDMN N#Cc1ccc(O)c(NC(=O)C2CC3(CC3(F)F)C2)c1 ZINC000831271763 624980666 /nfs/dbraw/zinc/98/06/66/624980666.db2.gz LUWKZVVNHGMPPT-UHFFFAOYSA-N 0 1 278.258 2.638 20 30 CFEDMN C#CCN(CCOCC(F)(F)F)Cc1ccc(F)cc1 ZINC000068334281 624988813 /nfs/dbraw/zinc/98/88/13/624988813.db2.gz SUKFPMPZHCPOLJ-UHFFFAOYSA-N 0 1 289.272 2.840 20 30 CFEDMN CCCC(N)=NOCCCc1ccccc1OC ZINC000180658551 625031617 /nfs/dbraw/zinc/03/16/17/625031617.db2.gz IIRNFKAFWAKHHY-UHFFFAOYSA-N 0 1 250.342 2.717 20 30 CFEDMN CC(C)c1cc([C@@H]2CCCN(C(=O)C#CC3CC3)C2)n[nH]1 ZINC000831886361 625166231 /nfs/dbraw/zinc/16/62/31/625166231.db2.gz YYSOUWWNRRXCIJ-CQSZACIVSA-N 0 1 285.391 2.653 20 30 CFEDMN N#Cc1ccc([C@@H](C(N)=O)N2CCCCCCCC2)cc1 ZINC000831936809 625185751 /nfs/dbraw/zinc/18/57/51/625185751.db2.gz GMLOHYFZOUEFBM-INIZCTEOSA-N 0 1 285.391 2.741 20 30 CFEDMN C#CCN(CCO[C@@H]1CCCCO1)Cc1ccc(F)cc1 ZINC000181662754 625202071 /nfs/dbraw/zinc/20/20/71/625202071.db2.gz JDXGACRKPFLYIG-QGZVFWFLSA-N 0 1 291.366 2.804 20 30 CFEDMN CCCCCCNC(=O)C(C#N)C(=O)CC1CCCC1 ZINC000069911013 625244064 /nfs/dbraw/zinc/24/40/64/625244064.db2.gz MDKPPRDTLATEAG-CQSZACIVSA-N 0 1 278.396 2.972 20 30 CFEDMN C=C(Cl)CN[C@@H]1CN(C(=O)[C@@H](C)CC)CC1(C)C ZINC000995499794 625728971 /nfs/dbraw/zinc/72/89/71/625728971.db2.gz NWQXTEBNZXDLEY-CMPLNLGQSA-N 0 1 272.820 2.612 20 30 CFEDMN C=C(Cl)CN[C@H]1CN(C(=O)[C@@H](C)CC)CC1(C)C ZINC000995499798 625729322 /nfs/dbraw/zinc/72/93/22/625729322.db2.gz NWQXTEBNZXDLEY-JQWIXIFHSA-N 0 1 272.820 2.612 20 30 CFEDMN C=C(Cl)CN[C@H]1CN(C(=O)[C@H](C)CC)CC1(C)C ZINC000995499800 625729459 /nfs/dbraw/zinc/72/94/59/625729459.db2.gz NWQXTEBNZXDLEY-PWSUYJOCSA-N 0 1 272.820 2.612 20 30 CFEDMN CCCCCCNC(=O)C(C#N)C(=O)[C@@H](C)C(C)C ZINC000073088141 625773109 /nfs/dbraw/zinc/77/31/09/625773109.db2.gz YBHWUMJFPIMTGC-QWHCGFSZSA-N 0 1 266.385 2.684 20 30 CFEDMN C=C(Cl)CN[C@@H]1CN(C(=O)C2(C)CCC2)CC1(C)C ZINC000996130536 625875528 /nfs/dbraw/zinc/87/55/28/625875528.db2.gz FGJNMTISOSDODB-GFCCVEGCSA-N 0 1 284.831 2.756 20 30 CFEDMN C=C(Cl)CN[C@@H]1CN(C(=O)CC(C)(F)F)CC1(C)C ZINC000996244084 625888112 /nfs/dbraw/zinc/88/81/12/625888112.db2.gz FNDSHQSLLZWMPW-SNVBAGLBSA-N 0 1 294.773 2.611 20 30 CFEDMN CC[C@@H](C)CC=Nn1c(=O)c2ccccc2[nH]c1=S ZINC000834936694 625927407 /nfs/dbraw/zinc/92/74/07/625927407.db2.gz CHDFQYYCUUBENE-SNVBAGLBSA-N 0 1 275.377 2.955 20 30 CFEDMN CC(C)COc1ccccc1C=NNc1cncnc1 ZINC000834977088 625941806 /nfs/dbraw/zinc/94/18/06/625941806.db2.gz GAVXUFVZUYXGPM-UHFFFAOYSA-N 0 1 270.336 2.957 20 30 CFEDMN CC(C)c1nccnc1N=NC1CCc2cc(N)ccc21 ZINC000834978545 625942367 /nfs/dbraw/zinc/94/23/67/625942367.db2.gz VMWOPRBLUNWZRK-UHFFFAOYSA-N 0 1 281.363 2.945 20 30 CFEDMN CC(C)c1nccnc1[N-][NH+]=C1CCCc2nc(N)ccc21 ZINC000834978333 625942409 /nfs/dbraw/zinc/94/24/09/625942409.db2.gz SJQLFOKPUWHWEY-UHFFFAOYSA-N 0 1 296.378 2.730 20 30 CFEDMN CC(C)ON=Cc1c(Cl)cccc1N1CCN(C)CC1 ZINC000835004702 625952973 /nfs/dbraw/zinc/95/29/73/625952973.db2.gz WOVUIMXUGALKCJ-UHFFFAOYSA-N 0 1 295.814 2.851 20 30 CFEDMN C[C@@H](NCc1cnn(CCF)c1)c1ccc(C#N)cc1 ZINC000921516107 625965687 /nfs/dbraw/zinc/96/56/87/625965687.db2.gz KXVTXGQPSZUDLR-GFCCVEGCSA-N 0 1 272.327 2.575 20 30 CFEDMN C#CCOc1cccc(Cl)c1CN[C@H]1CC12CC2 ZINC000818229663 625974707 /nfs/dbraw/zinc/97/47/07/625974707.db2.gz AAMIVTYTRJUEQY-AWEZNQCLSA-N 0 1 261.752 2.994 20 30 CFEDMN CCCON=C1CCN(Cc2ccccn2)C[C@@H]1C ZINC000842555663 625988345 /nfs/dbraw/zinc/98/83/45/625988345.db2.gz DVTZIHCYTQKYIC-ZDUSSCGKSA-N 0 1 261.369 2.706 20 30 CFEDMN C=CCC[C@H](NC(=O)NC[C@@H]1CCN1C)c1ccccc1 ZINC000921562620 625989365 /nfs/dbraw/zinc/98/93/65/625989365.db2.gz PYAPVNRLZAIRQC-HOTGVXAUSA-N 0 1 287.407 2.697 20 30 CFEDMN CCN(C(C)=O)[C@@H]1CCCN(CC#Cc2ccccc2)CC1 ZINC000997899496 626018791 /nfs/dbraw/zinc/01/87/91/626018791.db2.gz NMXZEWQERWVFNK-LJQANCHMSA-N 0 1 298.430 2.761 20 30 CFEDMN C=C(Cl)CN[C@H]1CCCN(C(=O)c2occc2C)C1 ZINC000998548749 626055966 /nfs/dbraw/zinc/05/59/66/626055966.db2.gz SSYDYZZEPUTRNF-LBPRGKRZSA-N 0 1 282.771 2.535 20 30 CFEDMN C=C(Cl)CN[C@@H]1CCCN(C(=O)CC2CCC2)C1 ZINC000998815606 626061640 /nfs/dbraw/zinc/06/16/40/626061640.db2.gz ADQWNQXECVAUOH-CYBMUJFWSA-N 0 1 270.804 2.510 20 30 CFEDMN C=C(Cl)CN[C@H]1CCCN(C(=O)[C@H](C)C2CCC2)C1 ZINC000999472854 626074590 /nfs/dbraw/zinc/07/45/90/626074590.db2.gz DUCDLAWNZLMKIX-OCCSQVGLSA-N 0 1 284.831 2.756 20 30 CFEDMN Cc1nn(C)cc1[C@@H](C)NCc1csc(C#N)c1 ZINC000921688367 626084900 /nfs/dbraw/zinc/08/49/00/626084900.db2.gz VFAUZDLQZFMQCP-SECBINFHSA-N 0 1 260.366 2.513 20 30 CFEDMN C=C(C)CN1CC[C@H](NC(=O)c2cc3ccccc3o2)C1 ZINC001016175649 626090797 /nfs/dbraw/zinc/09/07/97/626090797.db2.gz XSLPVEZBOKESRZ-AWEZNQCLSA-N 0 1 284.359 2.813 20 30 CFEDMN C=CCCC[C@H](C)NC(=O)NCc1cc(N(C)C)ccn1 ZINC000921818442 626142434 /nfs/dbraw/zinc/14/24/34/626142434.db2.gz ZUORCXFIBFDVHD-ZDUSSCGKSA-N 0 1 290.411 2.692 20 30 CFEDMN CC#CCN1CC=C(CNC(=O)c2cc(C)ccc2C)CC1 ZINC001001404348 626157310 /nfs/dbraw/zinc/15/73/10/626157310.db2.gz KPPSLNLUAJSKLA-UHFFFAOYSA-N 0 1 296.414 2.689 20 30 CFEDMN C#CCN1CC=C(CNC(=O)c2c(C)cc(C)cc2C)CC1 ZINC001001434791 626158379 /nfs/dbraw/zinc/15/83/79/626158379.db2.gz YPZIFLFXINCHDQ-UHFFFAOYSA-N 0 1 296.414 2.607 20 30 CFEDMN CN1Cc2ccccc2[C@@H](NCc2csc(C#N)c2)C1 ZINC000921937178 626180557 /nfs/dbraw/zinc/18/05/57/626180557.db2.gz YLIHIUAVPBGBCY-INIZCTEOSA-N 0 1 283.400 2.896 20 30 CFEDMN C=CCCOCCNCc1cc(C)cnc1Cl ZINC000921939141 626181644 /nfs/dbraw/zinc/18/16/44/626181644.db2.gz VQLGHESVJYMSFL-UHFFFAOYSA-N 0 1 254.761 2.726 20 30 CFEDMN C=CCN1CC[C@H](NC(=O)[C@H]2CCCCc3ccccc32)C1 ZINC001016351652 626206960 /nfs/dbraw/zinc/20/69/60/626206960.db2.gz CNAUUURGJCDOSU-WMZOPIPTSA-N 0 1 298.430 2.873 20 30 CFEDMN CC[C@H](CNCc1cc(C#N)ccc1Br)OC ZINC000922137780 626214599 /nfs/dbraw/zinc/21/45/99/626214599.db2.gz RYUNXJJEJGFKAQ-GFCCVEGCSA-N 0 1 297.196 2.835 20 30 CFEDMN CC#CCN1CCC(NC(=O)[C@@]2(C)CCC[C@@H]2CC)CC1 ZINC001003156808 626223140 /nfs/dbraw/zinc/22/31/40/626223140.db2.gz VJCPEIUZJYMJJM-YJBOKZPZSA-N 0 1 290.451 2.807 20 30 CFEDMN Cn1nc2c(c1CNC(C)(C)c1cccc(C#N)c1)CCC2 ZINC000922239120 626248011 /nfs/dbraw/zinc/24/80/11/626248011.db2.gz NJKMDZPSFYNFCG-UHFFFAOYSA-N 0 1 294.402 2.805 20 30 CFEDMN C=C[C@H](CO)NCc1ccc(Cl)c(C)c1Cl ZINC000922264092 626255646 /nfs/dbraw/zinc/25/56/46/626255646.db2.gz OPWFNAMTCVTRCO-SNVBAGLBSA-N 0 1 260.164 2.938 20 30 CFEDMN CC#CCN1CCC(NC(=O)C(C)(C)c2ccccc2)CC1 ZINC001004114205 626283872 /nfs/dbraw/zinc/28/38/72/626283872.db2.gz OPOSQCYWPHMIIM-UHFFFAOYSA-N 0 1 298.430 2.568 20 30 CFEDMN CC#CCN1CCC(NC(=O)[C@@H]2CCCCC2(C)C)CC1 ZINC001004233645 626315667 /nfs/dbraw/zinc/31/56/67/626315667.db2.gz VUKODBUZDLJENC-INIZCTEOSA-N 0 1 290.451 2.807 20 30 CFEDMN C[C@@H]1CC[C@H](C)N1CC(=O)OCC1CCC(C#N)CC1 ZINC000922661762 626336942 /nfs/dbraw/zinc/33/69/42/626336942.db2.gz CXHQTSXJEJDHIW-DGKWVBSXSA-N 0 1 278.396 2.732 20 30 CFEDMN Cc1ccc(CNCc2cccc3c2OCCO3)cc1C#N ZINC000922760072 626359951 /nfs/dbraw/zinc/35/99/51/626359951.db2.gz YWPKVNNZRHFUAX-UHFFFAOYSA-N 0 1 294.354 2.928 20 30 CFEDMN C=CCN(Cc1ccc(OC)cc1)C[C@@H]1COC(C)(C)O1 ZINC000851733107 634497532 /nfs/dbraw/zinc/49/75/32/634497532.db2.gz JXRMKCXIGBRLSI-MRXNPFEDSA-N 0 1 291.391 2.835 20 30 CFEDMN CC#CCN1CCC(N(C)C(=O)c2ccc(C)s2)CC1 ZINC001005059752 626407710 /nfs/dbraw/zinc/40/77/10/626407710.db2.gz ZASQLVKFBLHKQL-UHFFFAOYSA-N 0 1 290.432 2.616 20 30 CFEDMN CC#CCN1CCC(N(C)C(=O)CC2=CCCCC2)CC1 ZINC001005175898 626412395 /nfs/dbraw/zinc/41/23/95/626412395.db2.gz GLZKETMJNKYSEG-UHFFFAOYSA-N 0 1 288.435 2.823 20 30 CFEDMN CC#CCN1CCC(N(C)C(=O)C=C2CCCCC2)CC1 ZINC001005158010 626412510 /nfs/dbraw/zinc/41/25/10/626412510.db2.gz APNSDSNDVOJXSP-UHFFFAOYSA-N 0 1 288.435 2.823 20 30 CFEDMN C=CCN(CCOC(F)F)Cc1cccc([N+](=O)[O-])c1 ZINC000851738676 634502467 /nfs/dbraw/zinc/50/24/67/634502467.db2.gz ODGCWGYAUBTJPM-UHFFFAOYSA-N 0 1 286.278 2.822 20 30 CFEDMN CC#CCN1CCC(N(C)C(=O)C[C@@H]2CC[C@@H](C)C2)CC1 ZINC001005853721 626440597 /nfs/dbraw/zinc/44/05/97/626440597.db2.gz WWBKCZXVMVJEAP-HZPDHXFCSA-N 0 1 290.451 2.759 20 30 CFEDMN C#CCC1(NCc2ncc(Br)s2)CCC1 ZINC000922997960 626441277 /nfs/dbraw/zinc/44/12/77/626441277.db2.gz OUHLHFUYPZSSRN-UHFFFAOYSA-N 0 1 285.210 2.941 20 30 CFEDMN C#CCN1CCC(N(C)C(=O)c2cccc(Cl)c2)CC1 ZINC001006325433 626482922 /nfs/dbraw/zinc/48/29/22/626482922.db2.gz XMLBDPMDQPSMMI-UHFFFAOYSA-N 0 1 290.794 2.510 20 30 CFEDMN C=CC[C@H](NCc1cnn(C=C)c1)c1ccncc1 ZINC000774989260 626482994 /nfs/dbraw/zinc/48/29/94/626482994.db2.gz MNDSNBNUXAQDDV-HNNXBMFYSA-N 0 1 254.337 2.786 20 30 CFEDMN C[C@H](C(=O)C(C#N)C(=O)NC1CCCCC1)C1CCC1 ZINC000838787981 626506638 /nfs/dbraw/zinc/50/66/38/626506638.db2.gz QSHFMJKALOTWKS-FZMZJTMJSA-N 0 1 276.380 2.580 20 30 CFEDMN C[C@@H](C(=O)C(C#N)C(=O)NC1CCCCC1)C1CCC1 ZINC000838787978 626506706 /nfs/dbraw/zinc/50/67/06/626506706.db2.gz QSHFMJKALOTWKS-BXUZGUMPSA-N 0 1 276.380 2.580 20 30 CFEDMN CC(C)(C)C1CC(C(=O)C(C#N)C(=O)Nc2ccccn2)C1 ZINC000838789989 626506897 /nfs/dbraw/zinc/50/68/97/626506897.db2.gz AZPFNXCDZBJLEB-WXRRBKDZSA-N 0 1 299.374 2.801 20 30 CFEDMN CC1(CCCCN2CCC[C@@](C)(C#N)C2)OCCO1 ZINC000838928829 626516107 /nfs/dbraw/zinc/51/61/07/626516107.db2.gz BKZMDNAHUUTCBX-AWEZNQCLSA-N 0 1 266.385 2.545 20 30 CFEDMN CC(=NNc1ncccc1C)c1cc(O)ccc1O ZINC000790187232 626542235 /nfs/dbraw/zinc/54/22/35/626542235.db2.gz VORCSNUGSQUJEK-UHFFFAOYSA-N 0 1 257.293 2.637 20 30 CFEDMN CC[C@](C)(C#N)NC(=O)C(F)(F)c1c(F)cccc1F ZINC000756961831 626542801 /nfs/dbraw/zinc/54/28/01/626542801.db2.gz LHZZVQBHTHNLPE-GFCCVEGCSA-N 0 1 288.244 2.865 20 30 CFEDMN C#CCCNC(=O)NCc1cc(Cl)cc(Cl)c1O ZINC000805113395 626546875 /nfs/dbraw/zinc/54/68/75/626546875.db2.gz VGLXGWDIQDXWKI-UHFFFAOYSA-N 0 1 287.146 2.522 20 30 CFEDMN COC(=O)c1ccc(CN=Nc2ncccc2C)cc1 ZINC000790190245 626547394 /nfs/dbraw/zinc/54/73/94/626547394.db2.gz HRFIIZVQJPTUQM-UHFFFAOYSA-N 0 1 269.304 2.623 20 30 CFEDMN C#C[C@H](NCc1cc2c(C)nn(C)c2nc1Cl)C(C)C ZINC000809685284 626547594 /nfs/dbraw/zinc/54/75/94/626547594.db2.gz LOLWPOKPDVGLMA-ZDUSSCGKSA-N 0 1 290.798 2.678 20 30 CFEDMN CC(=NN=C(C)c1cc(F)cc(F)c1O)c1cnccn1 ZINC000757465788 626552768 /nfs/dbraw/zinc/55/27/68/626552768.db2.gz WMBUBDXFDODMLN-UHFFFAOYSA-N 0 1 290.273 2.694 20 30 CFEDMN O=C(/C=C/c1cn(-c2ccccc2)nn1)c1ccccc1O ZINC000757474173 626553256 /nfs/dbraw/zinc/55/32/56/626553256.db2.gz KEPBKDGCDDAOGJ-ZHACJKMWSA-N 0 1 291.310 2.869 20 30 CFEDMN C=CCS(=O)(=O)CCN[C@@H](c1ccc(C)o1)C1CCC1 ZINC000757654028 626557291 /nfs/dbraw/zinc/55/72/91/626557291.db2.gz BQFWCKVTMSKDDD-OAHLLOKOSA-N 0 1 297.420 2.620 20 30 CFEDMN CC[NH+](CC)Cc1cc(C(C)=NNC2CC2)ccc1[O-] ZINC000758133437 626578478 /nfs/dbraw/zinc/57/84/78/626578478.db2.gz OMKKOLQRJPRAIJ-UHFFFAOYSA-N 0 1 275.396 2.710 20 30 CFEDMN CC(=NNC1CC1)c1ccc([O-])c(C[NH+]2CCCCC2)c1 ZINC000758132314 626578560 /nfs/dbraw/zinc/57/85/60/626578560.db2.gz FUFCTBNLNLEKEQ-UHFFFAOYSA-N 0 1 287.407 2.854 20 30 CFEDMN C=CC[C@@H](NC(=O)[C@@H]1CCCc2[nH]ncc21)c1ccncc1 ZINC000758161262 626579578 /nfs/dbraw/zinc/57/95/78/626579578.db2.gz DUWGIKCTJUUWDT-UKRRQHHQSA-N 0 1 296.374 2.658 20 30 CFEDMN C#CCNC(=S)Nc1ccc2nc(-c3ccco3)[nH]c2c1 ZINC000758205000 626582318 /nfs/dbraw/zinc/58/23/18/626582318.db2.gz SJTVVSNOBIEPSM-UHFFFAOYSA-N 0 1 296.355 2.743 20 30 CFEDMN CCCCN(CCCC)Cn1cccc(C#N)c1=O ZINC000758207299 626582407 /nfs/dbraw/zinc/58/24/07/626582407.db2.gz TUIPHYZHWWTEMU-UHFFFAOYSA-N 0 1 261.369 2.580 20 30 CFEDMN CCC[C@H](C)[C@H]1CCCN1Cn1cccc(C#N)c1=O ZINC000758236667 626584163 /nfs/dbraw/zinc/58/41/63/626584163.db2.gz DPXLHPOGEISLGR-DZGCQCFKSA-N 0 1 273.380 2.578 20 30 CFEDMN CCC[C@@H]1[C@H](C)CCCN1Cn1cccc(C#N)c1=O ZINC000758232280 626584401 /nfs/dbraw/zinc/58/44/01/626584401.db2.gz POQDJIZQRWVBDU-UKRRQHHQSA-N 0 1 273.380 2.578 20 30 CFEDMN CCC(CC)NN=Cc1ccc(N2CCCC2)nc1 ZINC000758370760 626590132 /nfs/dbraw/zinc/59/01/32/626590132.db2.gz RDQUWTIEHDVHEZ-UHFFFAOYSA-N 0 1 260.385 2.794 20 30 CFEDMN N#Cc1ccc(CN2CCC(=NOCC(F)F)CC2)cc1 ZINC000758907178 626617424 /nfs/dbraw/zinc/61/74/24/626617424.db2.gz RINPIGPGCNMDBS-UHFFFAOYSA-N 0 1 293.317 2.792 20 30 CFEDMN C#CCCCC(=O)N1C[C@@H](C)N(Cc2ccccc2)C[C@H]1C ZINC000758911871 626617433 /nfs/dbraw/zinc/61/74/33/626617433.db2.gz WUXBLDCRPUIZNA-IAGOWNOFSA-N 0 1 298.430 2.911 20 30 CFEDMN CCCCCCCOC(=O)C(C)(C)NC(=O)C(F)(F)F ZINC000759112354 626628879 /nfs/dbraw/zinc/62/88/79/626628879.db2.gz UJMFRNSXMXCVMQ-UHFFFAOYSA-N 0 1 297.317 2.957 20 30 CFEDMN CC(C)c1ccc([C@H]2CCCN2CC(=O)NCCC#N)cc1 ZINC000759333057 626646204 /nfs/dbraw/zinc/64/62/04/626646204.db2.gz MEKOFXVLHMRZEX-QGZVFWFLSA-N 0 1 299.418 2.977 20 30 CFEDMN C#CCNC(=O)CN1CCC[C@@H]1c1ccc(C(C)C)cc1 ZINC000759335804 626646232 /nfs/dbraw/zinc/64/62/32/626646232.db2.gz ADCCWZGDOHJTOU-QGZVFWFLSA-N 0 1 284.403 2.696 20 30 CFEDMN Cc1cccc(CNC(=O)C(C#N)C(=O)CC2(C)CC2)c1 ZINC000759684859 626683388 /nfs/dbraw/zinc/68/33/88/626683388.db2.gz IPXSVKONLRUVKQ-CQSZACIVSA-N 0 1 284.359 2.510 20 30 CFEDMN CCCC[C@@H](CC)CC=Nn1c(=O)c(C)n[nH]c1=S ZINC000760249976 626724499 /nfs/dbraw/zinc/72/44/99/626724499.db2.gz OOSMMXRVBOALKH-LLVKDONJSA-N 0 1 282.413 2.676 20 30 CFEDMN N#C[C@H](C(=O)[C@H]1C[C@@H]1c1cc(F)ccc1F)c1ccncn1 ZINC000760331691 626735173 /nfs/dbraw/zinc/73/51/73/626735173.db2.gz AXHJNJFLJVQYHG-WXHSDQCUSA-N 0 1 299.280 2.735 20 30 CFEDMN N#C[C@H](C(=O)[C@@H]1C[C@H]1c1cccc(F)c1F)c1ccncn1 ZINC000760344354 626737648 /nfs/dbraw/zinc/73/76/48/626737648.db2.gz HFUFTNKWCCGYLC-TUAOUCFPSA-N 0 1 299.280 2.735 20 30 CFEDMN N#CC(=C(O)C=CC1CCCCC1)c1ccncn1 ZINC000760356100 626739448 /nfs/dbraw/zinc/73/94/48/626739448.db2.gz FHWBVPMQZRCNHS-YBJDMEARSA-N 0 1 255.321 2.789 20 30 CFEDMN N#C[C@H](C(=O)Cc1coc2cc(F)ccc12)c1ccncn1 ZINC000760358281 626739913 /nfs/dbraw/zinc/73/99/13/626739913.db2.gz OVHKVQQJDOWECB-ZDUSSCGKSA-N 0 1 295.273 2.781 20 30 CFEDMN N#CC(C(=O)C=Cc1ccc2[nH]ccc2c1)c1ccncn1 ZINC000760358466 626740027 /nfs/dbraw/zinc/74/00/27/626740027.db2.gz PHQQOVDKZNHLGX-KWEXDPCDSA-N 0 1 288.310 2.848 20 30 CFEDMN C#CCCN1CCN(Cc2ccc(SC)cc2)CC1 ZINC000760834558 626775478 /nfs/dbraw/zinc/77/54/78/626775478.db2.gz OTBBMKGSPNXGKY-UHFFFAOYSA-N 0 1 274.433 2.549 20 30 CFEDMN C#CCCN1CCC[C@@H](NC(=O)c2cc3ccccc3o2)C1 ZINC000760860743 626778733 /nfs/dbraw/zinc/77/87/33/626778733.db2.gz RIPUUXBVMVIONZ-OAHLLOKOSA-N 0 1 296.370 2.650 20 30 CFEDMN C#CCCN1CCN(c2ccc(C(F)(F)F)cc2)CC1 ZINC000760884609 626781140 /nfs/dbraw/zinc/78/11/40/626781140.db2.gz BJVKKPLLTPBPBH-UHFFFAOYSA-N 0 1 282.309 2.851 20 30 CFEDMN CCN(C[C@@H](C)C#N)C(=O)CN1CCC(CC(C)C)CC1 ZINC000760920532 626784631 /nfs/dbraw/zinc/78/46/31/626784631.db2.gz MVKWGEYHBAOKMS-HNNXBMFYSA-N 0 1 293.455 2.753 20 30 CFEDMN Cn1cnc2cc(/C=C\C(=O)c3ccc(O)cc3O)ccc21 ZINC000761205439 626816080 /nfs/dbraw/zinc/81/60/80/626816080.db2.gz NLDFSIVGESLUFH-CLTKARDFSA-N 0 1 294.310 2.881 20 30 CFEDMN C[Si](C)(C)CN1CCO[C@H](c2cccc(C#N)c2)C1 ZINC000761761762 626857314 /nfs/dbraw/zinc/85/73/14/626857314.db2.gz PPVJLXRPAVNXBV-HNNXBMFYSA-N 0 1 274.440 2.809 20 30 CFEDMN Cc1cc(C=NNc2ccc(-n3ccnc3)nn2)c(C)s1 ZINC000761838207 626863123 /nfs/dbraw/zinc/86/31/23/626863123.db2.gz JTTLYMKKPIVDOL-UHFFFAOYSA-N 0 1 298.375 2.787 20 30 CFEDMN CC(N=Nc1cnn(C)c1)c1ccc(F)c(F)c1 ZINC000761867123 626865902 /nfs/dbraw/zinc/86/59/02/626865902.db2.gz CURQEGPOTVLBMP-UHFFFAOYSA-N 0 1 250.252 2.534 20 30 CFEDMN CCOc1ccc(CN=Nc2cnn(C)c2)cc1OCC ZINC000761868136 626867568 /nfs/dbraw/zinc/86/75/68/626867568.db2.gz WPVHYNSLDQFAAH-UHFFFAOYSA-N 0 1 288.351 2.664 20 30 CFEDMN CCOc1ccc(C(C)=NNc2cnn(C)c2)cc1 ZINC000761883980 626869248 /nfs/dbraw/zinc/86/92/48/626869248.db2.gz BFQHCQDENOKJNK-UHFFFAOYSA-N 0 1 258.325 2.655 20 30 CFEDMN CCC1(CC)C(=NNCCN2CCCCC2)C[C@@H]1OC ZINC000762605711 626925823 /nfs/dbraw/zinc/92/58/23/626925823.db2.gz XNQPGHLBNTUZDO-HNNXBMFYSA-N 0 1 281.444 2.643 20 30 CFEDMN N#Cc1ccc(O)c(NC(=O)C=C(C2CC2)C2CC2)c1 ZINC000762819116 626940361 /nfs/dbraw/zinc/94/03/61/626940361.db2.gz POOQQONAGSDIDM-UHFFFAOYSA-N 0 1 268.316 2.949 20 30 CFEDMN N#CC(C(=O)Cc1ccco1)c1nc2ccccc2[nH]1 ZINC000763041283 626958397 /nfs/dbraw/zinc/95/83/97/626958397.db2.gz KLVJAHUUCABZTJ-LLVKDONJSA-N 0 1 265.272 2.575 20 30 CFEDMN C#CCN(CC)C(=O)[C@H](c1ccccc1)N(CC)CC ZINC000764211557 627045134 /nfs/dbraw/zinc/04/51/34/627045134.db2.gz UAIMPGXUCGFPHR-INIZCTEOSA-N 0 1 272.392 2.551 20 30 CFEDMN Cc1c(C(=O)Nc2cc(C#N)ccc2O)sc2nccn12 ZINC000764482740 627064935 /nfs/dbraw/zinc/06/49/35/627064935.db2.gz ASKSLBOWQOKNNX-UHFFFAOYSA-N 0 1 298.327 2.534 20 30 CFEDMN COCc1ccc(C=NNc2ccccc2[N+](=O)[O-])o1 ZINC000764648277 627079728 /nfs/dbraw/zinc/07/97/28/627079728.db2.gz GLSZISSFFPVTGA-UHFFFAOYSA-N 0 1 275.264 2.780 20 30 CFEDMN CC(C)N1CC(=NNCCc2ccccc2F)[C@H](C)C1 ZINC000764722788 627088148 /nfs/dbraw/zinc/08/81/48/627088148.db2.gz LYVDUAJVOLZAHN-CYBMUJFWSA-N 0 1 277.387 2.674 20 30 CFEDMN O=C([O-])c1cc(N=NC2CC[N@H+]3CCC[C@@H]23)ccc1Cl ZINC000765548882 627146876 /nfs/dbraw/zinc/14/68/76/627146876.db2.gz PGDCWNPLDUJRSE-ZDUSSCGKSA-N 0 1 293.754 2.674 20 30 CFEDMN C=CC[C@H](N[C@@H](C)c1cnn(C)c1)c1ccncc1 ZINC000766017766 627171506 /nfs/dbraw/zinc/17/15/06/627171506.db2.gz CYVXLEDKZQKEOU-WFASDCNBSA-N 0 1 256.353 2.783 20 30 CFEDMN C[C@H]1CC(N=Nc2ncccn2)CN(Cc2ccccc2)C1 ZINC000767356614 627245060 /nfs/dbraw/zinc/24/50/60/627245060.db2.gz VFIKQFWGXCRTJC-AWEZNQCLSA-N 0 1 295.390 2.787 20 30 CFEDMN C[C@H]1CCC(=NNCCN2CCCCC2)C[C@@H]1C ZINC000767370379 627245891 /nfs/dbraw/zinc/24/58/91/627245891.db2.gz FINNBXYLSCXGEK-KBPBESRZSA-N 0 1 251.418 2.874 20 30 CFEDMN C[C@@H]1CC(N=Nc2ccncc2)CN(Cc2ccccc2)C1 ZINC000767384882 627247231 /nfs/dbraw/zinc/24/72/31/627247231.db2.gz CKDXYEUVTFUQMD-OAHLLOKOSA-N 0 1 294.402 2.813 20 30 CFEDMN C#CC[C@H](NCC(OCC)OCC)c1ccccc1 ZINC000767817139 627287703 /nfs/dbraw/zinc/28/77/03/627287703.db2.gz HDOFAICSKKOGHR-HNNXBMFYSA-N 0 1 261.365 2.740 20 30 CFEDMN CC[C@@H]1CO[C@H](C)CN1Cc1ccc(O[C@H](C)C#N)cc1 ZINC000768174636 627323348 /nfs/dbraw/zinc/32/33/48/627323348.db2.gz ZIVYFBCNTHMACK-IIAWOOMASA-N 0 1 288.391 2.977 20 30 CFEDMN Cc1ncccc1C=NNc1cc(C#N)cc(Cl)n1 ZINC000768377376 627338518 /nfs/dbraw/zinc/33/85/18/627338518.db2.gz ZXUHDBJCEMAWKA-UHFFFAOYSA-N 0 1 271.711 2.756 20 30 CFEDMN N#Cc1cccc([C@@H]2CN(CC3CC=CC3)CCO2)c1 ZINC000851882106 634569471 /nfs/dbraw/zinc/56/94/71/634569471.db2.gz UZVZEFMVDHOAMC-KRWDZBQOSA-N 0 1 268.360 2.898 20 30 CFEDMN C#CCCN1CCN(Cc2ccc(Cl)cc2C)CC1 ZINC000769217336 627412625 /nfs/dbraw/zinc/41/26/25/627412625.db2.gz NSSCGGPKXVPIQZ-UHFFFAOYSA-N 0 1 276.811 2.789 20 30 CFEDMN C#CCOc1ccc(C[N@@H+]2CCOC[C@@H]2CC(C)C)cc1 ZINC000769399873 627434869 /nfs/dbraw/zinc/43/48/69/627434869.db2.gz WNPITZQERYJVDK-KRWDZBQOSA-N 0 1 287.403 2.946 20 30 CFEDMN C#CCOc1ccc(CN2CCOC[C@@H]2CC(C)C)cc1 ZINC000769399873 627434871 /nfs/dbraw/zinc/43/48/71/627434871.db2.gz WNPITZQERYJVDK-KRWDZBQOSA-N 0 1 287.403 2.946 20 30 CFEDMN C[C@@H]1CN(C2CC2)CC1N=Nc1ccc(F)c([N+](=O)[O-])c1 ZINC000769821591 627478388 /nfs/dbraw/zinc/47/83/88/627478388.db2.gz IHLUFHKWAMOAMT-SECBINFHSA-N 0 1 292.314 2.616 20 30 CFEDMN CCCCc1nc(C=NNCC(F)(F)F)c(Cl)[nH]1 ZINC000769822706 627478978 /nfs/dbraw/zinc/47/89/78/627478978.db2.gz QNAMQQPULPYWFD-UHFFFAOYSA-N 0 1 282.697 2.892 20 30 CFEDMN CC(N=Nc1ccc(F)c([N+](=O)[O-])c1)c1ccc[nH]1 ZINC000769828467 627479500 /nfs/dbraw/zinc/47/95/00/627479500.db2.gz IAGVLKYEPATHNB-UHFFFAOYSA-N 0 1 262.244 2.898 20 30 CFEDMN C#C[C@@H](C)N(C)Cc1cc2c(c(Cl)c1)OCO2 ZINC000769962178 627492364 /nfs/dbraw/zinc/49/23/64/627492364.db2.gz SUBUSQOOBNUMOF-SECBINFHSA-N 0 1 251.713 2.522 20 30 CFEDMN CCCC(=CC(=O)NC1(C#N)CCN(C)CC1)CCC ZINC000770742187 627545245 /nfs/dbraw/zinc/54/52/45/627545245.db2.gz STDZGXPCOSGXJB-UHFFFAOYSA-N 0 1 277.412 2.617 20 30 CFEDMN C#C[C@@H](CC)OC(=O)c1ccc(-c2nnc(C3CC3)[nH]2)cc1 ZINC000770914120 627557621 /nfs/dbraw/zinc/55/76/21/627557621.db2.gz QLECQTFQSURBSI-AWEZNQCLSA-N 0 1 295.342 2.918 20 30 CFEDMN Fc1ccccc1N=NCc1cccc2nccn21 ZINC000771099712 627577116 /nfs/dbraw/zinc/57/71/16/627577116.db2.gz YXYGBWYAMRHDBK-UHFFFAOYSA-N 0 1 254.268 2.919 20 30 CFEDMN O=C(OCC#Cc1ccc(F)cc1)c1[nH]nc2c1CCCC2 ZINC000771333942 627593311 /nfs/dbraw/zinc/59/33/11/627593311.db2.gz KOEPPQGHSLIXNZ-UHFFFAOYSA-N 0 1 298.317 2.636 20 30 CFEDMN C=CCCCCNC(=O)NCc1n[nH]c(-c2ccccc2)n1 ZINC000771327306 627593528 /nfs/dbraw/zinc/59/35/28/627593528.db2.gz IJXKCUUOSJYHBQ-UHFFFAOYSA-N 0 1 299.378 2.627 20 30 CFEDMN C=CCCCCNC(=O)NCc1nc(-c2ccccc2)n[nH]1 ZINC000771327306 627593530 /nfs/dbraw/zinc/59/35/30/627593530.db2.gz IJXKCUUOSJYHBQ-UHFFFAOYSA-N 0 1 299.378 2.627 20 30 CFEDMN Cc1ccc(NN=Cc2cnc(CC(C)C)s2)nn1 ZINC000772842304 627750865 /nfs/dbraw/zinc/75/08/65/627750865.db2.gz OKRNMDJWPAOVRQ-UHFFFAOYSA-N 0 1 275.381 2.886 20 30 CFEDMN Cc1cc(N=NCc2cnc(CC(C)C)s2)ncn1 ZINC000772843883 627750918 /nfs/dbraw/zinc/75/09/18/627750918.db2.gz FAXFIJIUJMKWLC-UHFFFAOYSA-N 0 1 275.381 2.886 20 30 CFEDMN N#Cc1ccc(CNC[C@H](O)c2cccc(F)c2)c(F)c1 ZINC000772918568 627759105 /nfs/dbraw/zinc/75/91/05/627759105.db2.gz MQWSANMYGMCOHC-INIZCTEOSA-N 0 1 288.297 2.660 20 30 CFEDMN C=C(C)COCCN[C@@H](C)c1c(CC)noc1C ZINC000773057648 627775322 /nfs/dbraw/zinc/77/53/22/627775322.db2.gz CQXRMORPSPWLFZ-NSHDSACASA-N 0 1 252.358 2.789 20 30 CFEDMN C[C@@H](O)c1ncc(C=NNc2ncccc2Cl)s1 ZINC000773056338 627775773 /nfs/dbraw/zinc/77/57/73/627775773.db2.gz VSVXQRZPNAUONM-SSDOTTSWSA-N 0 1 282.756 2.691 20 30 CFEDMN CC1(C)CCC[C@@H]1C(=O)C(C#N)C(=O)NCc1ccccc1 ZINC000773974452 627874934 /nfs/dbraw/zinc/87/49/34/627874934.db2.gz HUTKBRYHMXXQQD-HUUCEWRRSA-N 0 1 298.386 2.838 20 30 CFEDMN Cc1cc(C(C#N)C(=O)[C@H]2C[C@]2(C)C(C)C)nc(C)n1 ZINC000773972135 627875407 /nfs/dbraw/zinc/87/54/07/627875407.db2.gz NJUNDGJFTWTLNI-WOSRLPQWSA-N 0 1 271.364 2.952 20 30 CFEDMN C[C@@H](CC(C)(C)C)C(=O)C(C#N)C(=O)Nc1ccccn1 ZINC000773989133 627876967 /nfs/dbraw/zinc/87/69/67/627876967.db2.gz ZZMZVRKYNZYCCA-RYUDHWBXSA-N 0 1 287.363 2.801 20 30 CFEDMN Cc1cccc2nc([C@@H](C#N)C(=O)C3CCC(=O)CC3)[nH]c21 ZINC000774107094 627888232 /nfs/dbraw/zinc/88/82/32/627888232.db2.gz ZOTOKPJXJHNGCU-ZDUSSCGKSA-N 0 1 295.342 2.807 20 30 CFEDMN CCOCCON=Cc1ccc(N(CC)CC)cc1O ZINC000774423735 627923984 /nfs/dbraw/zinc/92/39/84/627923984.db2.gz XWVCEKYMPVNEPX-UHFFFAOYSA-N 0 1 280.368 2.625 20 30 CFEDMN C[C@H]1CN(Cc2ccccc2)CC1=NOC1CCOCC1 ZINC000774443896 627926659 /nfs/dbraw/zinc/92/66/59/627926659.db2.gz HODRJAPVFODFBW-AWEZNQCLSA-N 0 1 288.391 2.690 20 30 CFEDMN CCC(CC)CNN=Cc1cc(-c2cccnc2)[nH]n1 ZINC000774474148 627930903 /nfs/dbraw/zinc/93/09/03/627930903.db2.gz WSUGORHCJBPPKL-UHFFFAOYSA-N 0 1 271.368 2.831 20 30 CFEDMN C#C[C@H](C)[N@@H+](C)Cc1cc(C)cc(Br)c1[O-] ZINC000775183239 627999094 /nfs/dbraw/zinc/99/90/94/627999094.db2.gz KSLVTOMPUBBEEE-JTQLQIEISA-N 0 1 282.181 2.917 20 30 CFEDMN C#C[C@@H](NCc1ccc(OCC=C)cc1)[C@H]1CCCO1 ZINC000775339267 628011429 /nfs/dbraw/zinc/01/14/29/628011429.db2.gz BDVMBPKJMZIKMA-IAGOWNOFSA-N 0 1 271.360 2.522 20 30 CFEDMN C#C[C@@H](NCc1ccc(Br)cc1)[C@H]1CCCO1 ZINC000775339446 628011800 /nfs/dbraw/zinc/01/18/00/628011800.db2.gz BTZFSESBDWOCPI-ZIAGYGMSSA-N 0 1 294.192 2.720 20 30 CFEDMN C#C[C@H](NCc1ccccc1C1CC1)[C@@H]1CCCO1 ZINC000775341606 628012223 /nfs/dbraw/zinc/01/22/23/628012223.db2.gz MIJGQVAYFJYJNN-IRXDYDNUSA-N 0 1 255.361 2.834 20 30 CFEDMN C#C[C@@H](NCc1cc(C)c(OC)c(C)c1)[C@H]1CCCO1 ZINC000775341407 628012787 /nfs/dbraw/zinc/01/27/87/628012787.db2.gz MHRIUJUNCBLLIB-HZPDHXFCSA-N 0 1 273.376 2.582 20 30 CFEDMN C#C[C@@H](NCc1cccc(OCCCC#N)c1)[C@H]1CCCO1 ZINC000775343702 628013257 /nfs/dbraw/zinc/01/32/57/628013257.db2.gz XJENYSICUQHIPS-QZTJIDSGSA-N 0 1 298.386 2.640 20 30 CFEDMN C#C[C@H](NC/C=C/c1ccc(F)cc1F)[C@H]1CCCO1 ZINC000775352668 628014938 /nfs/dbraw/zinc/01/49/38/628014938.db2.gz YNIULSWWUUFZQH-KADIJHKTSA-N 0 1 277.314 2.748 20 30 CFEDMN C#CC[C@@H](NCC(=O)NCc1cccs1)c1ccccc1 ZINC000775398131 628019951 /nfs/dbraw/zinc/01/99/51/628019951.db2.gz FMDDVXTYKZCOKJ-MRXNPFEDSA-N 0 1 298.411 2.719 20 30 CFEDMN C#CC[C@@H](NCc1cccc(C(=O)NC)c1)c1ccccc1 ZINC000775399159 628020668 /nfs/dbraw/zinc/02/06/68/628020668.db2.gz PVLFCUGQEJDKNF-GOSISDBHSA-N 0 1 292.382 2.900 20 30 CFEDMN C#CC[C@H](NCc1ccnc(C#N)c1)c1ccccc1 ZINC000775399380 628021002 /nfs/dbraw/zinc/02/10/02/628021002.db2.gz GCHGDDGWSWPFDG-KRWDZBQOSA-N 0 1 261.328 2.807 20 30 CFEDMN C#C[C@H](N[C@@H](C)c1ccccc1OC)[C@H]1CCCO1 ZINC000775571726 628039571 /nfs/dbraw/zinc/03/95/71/628039571.db2.gz KEDHNFRRRYBHFC-DUVNUKRYSA-N 0 1 259.349 2.527 20 30 CFEDMN C#C[C@H](N[C@@H](C)c1ccccc1N(C)C)[C@H]1CCCO1 ZINC000775571953 628039605 /nfs/dbraw/zinc/03/96/05/628039605.db2.gz NEHQNVNAYBFTNG-JLJPHGGASA-N 0 1 272.392 2.584 20 30 CFEDMN C#C[C@H](N[C@H](C)c1ccc(OC)c(OC)c1)[C@H]1CCCO1 ZINC000775571169 628039952 /nfs/dbraw/zinc/03/99/52/628039952.db2.gz BIILHHKFRRLJEO-VHDGCEQUSA-N 0 1 289.375 2.535 20 30 CFEDMN C#C[C@H](N[C@@H](C)c1ccccc1N(C)C)[C@@H]1CCCO1 ZINC000775571955 628039985 /nfs/dbraw/zinc/03/99/85/628039985.db2.gz NEHQNVNAYBFTNG-QRTARXTBSA-N 0 1 272.392 2.584 20 30 CFEDMN C#C[C@H](N[C@H](CC)c1cccc([N+](=O)[O-])c1)[C@@H]1CCCO1 ZINC000775572032 628041000 /nfs/dbraw/zinc/04/10/00/628041000.db2.gz NYXHSSBLHBMXIJ-PMPSAXMXSA-N 0 1 288.347 2.816 20 30 CFEDMN C#C[C@H](N[C@H](C)c1cc(C)ccc1OC)[C@@H]1CCCO1 ZINC000775575425 628042595 /nfs/dbraw/zinc/04/25/95/628042595.db2.gz XDKIQOTUDHIWEO-KMFMINBZSA-N 0 1 273.376 2.835 20 30 CFEDMN COC(=O)C[C@H](NCc1ccc(Cl)cc1C#N)C1CC1 ZINC000775666305 628051728 /nfs/dbraw/zinc/05/17/28/628051728.db2.gz DLVHCNUAEKBCSE-AWEZNQCLSA-N 0 1 292.766 2.643 20 30 CFEDMN C#C[C@@H](NCCOc1ccc(F)cc1Cl)[C@H]1CCCO1 ZINC000775790846 628069126 /nfs/dbraw/zinc/06/91/26/628069126.db2.gz JOJGENSLXAWPLG-UKRRQHHQSA-N 0 1 297.757 2.628 20 30 CFEDMN Cc1nc(-c2ccccc2)[nH]c1C(=O)OCC1(C#N)CC1 ZINC000775845645 628075348 /nfs/dbraw/zinc/07/53/48/628075348.db2.gz HQINQXLCJFPGGL-UHFFFAOYSA-N 0 1 281.315 2.846 20 30 CFEDMN C#CCOc1ccccc1NC(=O)c1cccc2nc[nH]c21 ZINC000775952666 628087922 /nfs/dbraw/zinc/08/79/22/628087922.db2.gz NQEMJPDHFRVRRK-UHFFFAOYSA-N 0 1 291.310 2.827 20 30 CFEDMN COC(=O)c1ccccc1NN=Cc1[nH]c(C)cc1C ZINC000776189273 628114580 /nfs/dbraw/zinc/11/45/80/628114580.db2.gz DOXSIMHPNYJBOL-UHFFFAOYSA-N 0 1 271.320 2.864 20 30 CFEDMN C[C@@H](C(=O)OCCC(C)(C)C#N)N1[C@H](C)CC[C@@H]1C ZINC000776385934 628140831 /nfs/dbraw/zinc/14/08/31/628140831.db2.gz IYCRVOYKQDAYJD-XQQFMLRXSA-N 0 1 266.385 2.731 20 30 CFEDMN C=CCN1C(=O)N=NC1SCc1ccc(CF)cc1 ZINC000777534768 628233439 /nfs/dbraw/zinc/23/34/39/628233439.db2.gz GBGSJZAJEQJLRX-UHFFFAOYSA-N 0 1 279.340 2.932 20 30 CFEDMN O=[N+]([O-])c1ccc(C=NNc2ccc(Cl)nn2)c(F)c1 ZINC000777879613 628260400 /nfs/dbraw/zinc/26/04/00/628260400.db2.gz SCRAFPDLVVNAPT-UHFFFAOYSA-N 0 1 295.661 2.623 20 30 CFEDMN CC(C)n1cc(C=NNc2cc(Cl)ccn2)cn1 ZINC000777905845 628263878 /nfs/dbraw/zinc/26/38/78/628263878.db2.gz NODOLPADEWGOQY-UHFFFAOYSA-N 0 1 263.732 2.958 20 30 CFEDMN COc1ccc2c(c1)OCC2=NNc1cc(Cl)ccn1 ZINC000777906743 628264345 /nfs/dbraw/zinc/26/43/45/628264345.db2.gz MJKOATXVQGUWKF-UHFFFAOYSA-N 0 1 289.722 2.952 20 30 CFEDMN C#CCOc1cccc(Cl)c1CNCC(C)(C)OC ZINC000778172301 628283477 /nfs/dbraw/zinc/28/34/77/628283477.db2.gz HNUQAMXDAJISHQ-UHFFFAOYSA-N 0 1 281.783 2.867 20 30 CFEDMN Cc1ccc(F)c(C=NNc2cc(Cl)nc(N)n2)c1 ZINC000778550191 628315280 /nfs/dbraw/zinc/31/52/80/628315280.db2.gz KIISGHIYOGPMDT-UHFFFAOYSA-N 0 1 279.706 2.606 20 30 CFEDMN C#CC[C@H](OC(=O)[C@@H](CC)N(CC)CC)C(C)C ZINC000778663014 628323321 /nfs/dbraw/zinc/32/33/21/628323321.db2.gz GTBPWNAZXSENCH-KGLIPLIRSA-N 0 1 253.386 2.698 20 30 CFEDMN C=CCC[C@@H](C(=O)OCc1n[nH]c(C)n1)c1ccccc1 ZINC000778677117 628323644 /nfs/dbraw/zinc/32/36/44/628323644.db2.gz DLQPAHONUQUTAA-CQSZACIVSA-N 0 1 285.347 2.906 20 30 CFEDMN CC[C@@H](C(=O)O[C@H](C#N)C(C)(C)C)N(CC)CC ZINC000778711243 628326879 /nfs/dbraw/zinc/32/68/79/628326879.db2.gz JMAHHBDUYYXSRA-NWDGAFQWSA-N 0 1 254.374 2.588 20 30 CFEDMN C#C[C@](C)(CC)N[C@H](C)C(=O)Nc1ccc(CC)cc1 ZINC000852097309 634651054 /nfs/dbraw/zinc/65/10/54/634651054.db2.gz NSYNPELWBMXGMK-CXAGYDPISA-N 0 1 272.392 2.968 20 30 CFEDMN C#C[C@](C)(CC)N[C@H](C)C(=O)N1c2ccccc2C[C@@H]1C ZINC000852098539 634651982 /nfs/dbraw/zinc/65/19/82/634651982.db2.gz PVEANTCECAXUNH-PMUMKWKESA-N 0 1 284.403 2.744 20 30 CFEDMN C#C[C@@](C)(CC)NCC(=O)Nc1ccccc1CC ZINC000852097852 634652050 /nfs/dbraw/zinc/65/20/50/634652050.db2.gz YGJJTHITMOXESR-INIZCTEOSA-N 0 1 258.365 2.579 20 30 CFEDMN C#C[C@@](C)(CC)NCC(=O)Nc1c(C)cc(C)cc1C ZINC000852099511 634652772 /nfs/dbraw/zinc/65/27/72/634652772.db2.gz ATQHMKJEOWEYBK-KRWDZBQOSA-N 0 1 272.392 2.942 20 30 CFEDMN C#C[C@](C)(CC)NCC(=O)Nc1c(C)cccc1CC ZINC000852099309 634652949 /nfs/dbraw/zinc/65/29/49/634652949.db2.gz JONRNRIIDDHNFN-QGZVFWFLSA-N 0 1 272.392 2.887 20 30 CFEDMN CC(C)c1ccc2c(c1)C(=NNC1=NC[C@H](C)N1)CCC2 ZINC000779794694 628406996 /nfs/dbraw/zinc/40/69/96/628406996.db2.gz LLLTZWFGJJUBCT-LBPRGKRZSA-N 0 1 284.407 2.788 20 30 CFEDMN C#C[C@@](C)(CC)N[C@H](C)C(=O)Nc1cccc(F)c1 ZINC000852098976 634653343 /nfs/dbraw/zinc/65/33/43/634653343.db2.gz AHNVIFHERBWSGI-ABAIWWIYSA-N 0 1 262.328 2.544 20 30 CFEDMN CCCCCOc1ccc(C=NNC2=NC[C@H](C)N2)cc1 ZINC000779797726 628407883 /nfs/dbraw/zinc/40/78/83/628407883.db2.gz IPMROCHKJDYSQL-ZDUSSCGKSA-N 0 1 288.395 2.527 20 30 CFEDMN C#C[C@](C)(CC)N[C@@H](C)C(=O)Nc1cccc2ncccc21 ZINC000852099807 634654649 /nfs/dbraw/zinc/65/46/49/634654649.db2.gz BAQATHOCMFEREO-SCLBCKFNSA-N 0 1 295.386 2.953 20 30 CFEDMN C#C[C@@](C)(CC)[NH2+]Cc1cc(F)cc(C(C)=O)c1[O-] ZINC000852101429 634655850 /nfs/dbraw/zinc/65/58/50/634655850.db2.gz FBIFGASZTOFNNG-HNNXBMFYSA-N 0 1 263.312 2.625 20 30 CFEDMN COc1ccc(N=NCc2ccc(F)c(C)c2)nc1 ZINC000780267381 628448061 /nfs/dbraw/zinc/44/80/61/628448061.db2.gz LEPAXRORFVTARM-UHFFFAOYSA-N 0 1 259.284 2.984 20 30 CFEDMN COc1ccc(N=NCc2ccccc2OC)nc1 ZINC000780266822 628448405 /nfs/dbraw/zinc/44/84/05/628448405.db2.gz CODHZMRKQCGQTR-UHFFFAOYSA-N 0 1 257.293 2.545 20 30 CFEDMN C#C[C@](C)(CC)NCC(=O)Nc1ccc(F)cc1Cl ZINC000852102583 634656464 /nfs/dbraw/zinc/65/64/64/634656464.db2.gz ZRDZJZKOBPIZDF-CQSZACIVSA-N 0 1 282.746 2.809 20 30 CFEDMN C#C[C@](C)(CC)N[C@@H]1CCCN(c2ccccc2)C1=O ZINC000852101702 634656761 /nfs/dbraw/zinc/65/67/61/634656761.db2.gz HANKHIWAYOINJN-NVXWUHKLSA-N 0 1 270.376 2.574 20 30 CFEDMN C#C[C@@](C)(CC)NCc1cc(=O)[nH]c(-c2ccccc2)n1 ZINC000852103507 634658015 /nfs/dbraw/zinc/65/80/15/634658015.db2.gz JRLSWSJNDYADDR-KRWDZBQOSA-N 0 1 281.359 2.741 20 30 CFEDMN N#Cc1ccc(CNCc2ccc3ncccc3c2)nc1 ZINC000780557420 628476482 /nfs/dbraw/zinc/47/64/82/628476482.db2.gz WWUCUXNHDXUADJ-UHFFFAOYSA-N 0 1 274.327 2.791 20 30 CFEDMN Cc1n[nH]c(C(F)F)c1NC(=O)C#Cc1ccccc1 ZINC000781358150 628542961 /nfs/dbraw/zinc/54/29/61/628542961.db2.gz ZSXNWAWKGWLCOY-UHFFFAOYSA-N 0 1 275.258 2.646 20 30 CFEDMN CC1(C)CC[C@@H](C(=O)C(C#N)C(=O)NC2CCCCC2)C1 ZINC000781762788 628578441 /nfs/dbraw/zinc/57/84/41/628578441.db2.gz TUQKVHFIZUCVQG-OCCSQVGLSA-N 0 1 290.407 2.970 20 30 CFEDMN CC(=O)c1cc(F)cc(CN2CCC(CC#N)CC2)c1O ZINC000782089297 628603721 /nfs/dbraw/zinc/60/37/21/628603721.db2.gz SJLMGZRUZSFOCG-UHFFFAOYSA-N 0 1 290.338 2.860 20 30 CFEDMN Cc1nc(F)ccc1C=NN=c1[nH]c2ccccc2[nH]1 ZINC000782126981 628606106 /nfs/dbraw/zinc/60/61/06/628606106.db2.gz HEERJDDOXOATQP-UHFFFAOYSA-N 0 1 269.283 2.851 20 30 CFEDMN C=CCCCOC(=O)[C@@]1(F)CCN(C(C)(C)C)C1 ZINC000810604398 628684317 /nfs/dbraw/zinc/68/43/17/628684317.db2.gz QZEHZJDNSMWIHN-CQSZACIVSA-N 0 1 257.349 2.708 20 30 CFEDMN C[C@H](NCc1ccc(C#N)cn1)c1ccccc1N(C)C ZINC000783294347 628698343 /nfs/dbraw/zinc/69/83/43/628698343.db2.gz OCZJZLZYVDLMKY-ZDUSSCGKSA-N 0 1 280.375 2.870 20 30 CFEDMN Cc1cc([C@@H](C#N)C(=O)[C@H]2CCCCS2)nc(C)n1 ZINC000783348816 628700572 /nfs/dbraw/zinc/70/05/72/628700572.db2.gz CVLWJDNGVQDKEK-DGCLKSJQSA-N 0 1 275.377 2.555 20 30 CFEDMN Cc1cc(C)n(-c2nncn2N=C[C@H]2CCCC[C@H]2C)n1 ZINC000783809492 628747115 /nfs/dbraw/zinc/74/71/15/628747115.db2.gz FQWKZWIGSWRNDY-BXUZGUMPSA-N 0 1 286.383 2.741 20 30 CFEDMN CC(C)(C#N)CCCOC(=O)[C@@H]1CCCc2[nH]ncc21 ZINC000784121677 628779768 /nfs/dbraw/zinc/77/97/68/628779768.db2.gz JRMDBDRVBXLRHY-LLVKDONJSA-N 0 1 275.352 2.703 20 30 CFEDMN Cc1nc(F)ccc1CNCc1ccc(C#N)cc1 ZINC000785427189 628882034 /nfs/dbraw/zinc/88/20/34/628882034.db2.gz NJDJHTZTPUFLCF-UHFFFAOYSA-N 0 1 255.296 2.691 20 30 CFEDMN C=C(C)CC[N@@H+]1CC[C@H](C)[C@H]([N-]C(=O)C(F)(F)F)[C@@H]1C ZINC000805787898 628914763 /nfs/dbraw/zinc/91/47/63/628914763.db2.gz BHWYLJAAEUUBMG-SRVKXCTJSA-N 0 1 292.345 2.730 20 30 CFEDMN C=C(CC)COC(=O)CC1(N2CCOCC2)CCCC1 ZINC000786095612 628936675 /nfs/dbraw/zinc/93/66/75/628936675.db2.gz JRCBNDRMFYRQOV-UHFFFAOYSA-N 0 1 281.396 2.531 20 30 CFEDMN C=CCCN(C)CN1C[C@@H](c2cccc(C)c2)CC1=O ZINC000786102738 628936913 /nfs/dbraw/zinc/93/69/13/628936913.db2.gz SWPBEHYSWXUDQT-INIZCTEOSA-N 0 1 272.392 2.776 20 30 CFEDMN N#C[C@H](C(=O)[C@@H]1CCCN1c1ccccc1)c1ccccn1 ZINC000786299054 628947312 /nfs/dbraw/zinc/94/73/12/628947312.db2.gz NBSPHTBJJCECFL-RDJZCZTQSA-N 0 1 291.354 2.927 20 30 CFEDMN Cc1cccc(CNC(=O)C(C#N)C(=O)[C@@H]2C[C@@H]2C(C)C)c1 ZINC000786543013 628967845 /nfs/dbraw/zinc/96/78/45/628967845.db2.gz QXXFJUWATWUDJS-BZUAXINKSA-N 0 1 298.386 2.612 20 30 CFEDMN C#C[C@H](N[C@@H](C)c1cnn(C(C)C)c1C)[C@@H]1CCCO1 ZINC000786935572 628985569 /nfs/dbraw/zinc/98/55/69/628985569.db2.gz MRMHQRJRVZGBTJ-RCBQFDQVSA-N 0 1 275.396 2.604 20 30 CFEDMN CC[C@H](NC(=O)C(C#N)C(=O)[C@H]1C[C@@H]1C)c1ccccc1 ZINC000787047261 628990067 /nfs/dbraw/zinc/99/00/67/628990067.db2.gz UZZIZHHXHBVMMQ-MXAVVETBSA-N 0 1 284.359 2.619 20 30 CFEDMN CC[C@H](NC(=O)C(C#N)C(=O)CC1CC1)c1ccccc1 ZINC000787043716 628990252 /nfs/dbraw/zinc/99/02/52/628990252.db2.gz BXXCASNRZOSDNL-CABCVRRESA-N 0 1 284.359 2.763 20 30 CFEDMN Fc1ccc(N=NCc2ccc(-c3cc[nH]n3)o2)nc1 ZINC000788429818 629065929 /nfs/dbraw/zinc/06/59/29/629065929.db2.gz NJIDACNSLWTORG-UHFFFAOYSA-N 0 1 271.255 2.650 20 30 CFEDMN CC(=NNc1ccnc(F)c1)c1cn2ccccc2n1 ZINC000788438886 629066626 /nfs/dbraw/zinc/06/66/26/629066626.db2.gz NGNWXIJKKDAPKA-UHFFFAOYSA-N 0 1 269.283 2.705 20 30 CFEDMN OC[C@@H](NN=Cc1cccc(Cl)c1O)c1ccccc1 ZINC000788469128 629071740 /nfs/dbraw/zinc/07/17/40/629071740.db2.gz OEAUIPSRWOYRFT-CQSZACIVSA-N 0 1 290.750 2.703 20 30 CFEDMN Clc1ccc(N=NC2CCCc3c[nH]nc32)cn1 ZINC000789020480 629117591 /nfs/dbraw/zinc/11/75/91/629117591.db2.gz IWGQXMWIYBVACI-UHFFFAOYSA-N 0 1 261.716 2.611 20 30 CFEDMN CC(=NNc1ccccc1Cl)c1ccc(=O)[nH]n1 ZINC000790141934 629212908 /nfs/dbraw/zinc/21/29/08/629212908.db2.gz YXRKMRKUOVXXQE-UHFFFAOYSA-N 0 1 262.700 2.672 20 30 CFEDMN Cc1ccc(N=NCc2ccsc2Cl)nn1 ZINC000790161553 629214857 /nfs/dbraw/zinc/21/48/57/629214857.db2.gz IJPVIZGIKOFWII-UHFFFAOYSA-N 0 1 252.730 2.946 20 30 CFEDMN Cc1cccnc1N=NCc1ccc(Br)cn1 ZINC000790191101 629217993 /nfs/dbraw/zinc/21/79/93/629217993.db2.gz RINGKYACCJDBIE-UHFFFAOYSA-N 0 1 291.152 2.994 20 30 CFEDMN CC[C@@H](C)NN=C1CCN(Cc2ccccn2)C[C@H]1C ZINC000790190882 629218011 /nfs/dbraw/zinc/21/80/11/629218011.db2.gz RVEWXIREVDHXLT-ZIAGYGMSSA-N 0 1 274.412 2.668 20 30 CFEDMN Cc1cccnc1N=NC1CCOc2ccccc21 ZINC000790191373 629218206 /nfs/dbraw/zinc/21/82/06/629218206.db2.gz UBVCACMVWCRLMF-UHFFFAOYSA-N 0 1 253.305 2.989 20 30 CFEDMN CCOc1ccc(CN=Nc2ncccc2C)c(O)c1 ZINC000790191009 629218273 /nfs/dbraw/zinc/21/82/73/629218273.db2.gz ONJABLOJIAIMRH-UHFFFAOYSA-N 0 1 271.320 2.940 20 30 CFEDMN Cn1ccnc1NN=C(C[C@H]1CCOC1)c1ccccc1 ZINC000790299978 629227795 /nfs/dbraw/zinc/22/77/95/629227795.db2.gz NLTISKINNXGEJJ-CYBMUJFWSA-N 0 1 284.363 2.663 20 30 CFEDMN Cc1cc(C)c2c(c1)OCCC2=NNc1nccn1C ZINC000790302274 629228272 /nfs/dbraw/zinc/22/82/72/629228272.db2.gz LUKJZWLTMZWVGD-UHFFFAOYSA-N 0 1 270.336 2.636 20 30 CFEDMN C[C@H]1CC(N=Nc2nccn2C)CN(Cc2ccccc2)C1 ZINC000790302315 629228338 /nfs/dbraw/zinc/22/83/38/629228338.db2.gz PDPQVEUSZWRODJ-AWEZNQCLSA-N 0 1 297.406 2.730 20 30 CFEDMN CC(=N[N-]c1[nH+]ccn1C)c1ccc(Cl)c([N+](=O)[O-])c1 ZINC000790302253 629228547 /nfs/dbraw/zinc/22/85/47/629228547.db2.gz KQXYXOSKPAIXKF-UHFFFAOYSA-N 0 1 293.714 2.818 20 30 CFEDMN C=CCC1(C(=O)NCc2n[nH]c(-c3ccccc3)n2)CCC1 ZINC000790553595 629247378 /nfs/dbraw/zinc/24/73/78/629247378.db2.gz STZGLCRXMHYAOM-UHFFFAOYSA-N 0 1 296.374 2.834 20 30 CFEDMN C=CCC1(C(=O)NCc2nc(-c3ccccc3)n[nH]2)CCC1 ZINC000790553595 629247381 /nfs/dbraw/zinc/24/73/81/629247381.db2.gz STZGLCRXMHYAOM-UHFFFAOYSA-N 0 1 296.374 2.834 20 30 CFEDMN N#CC[C@H]1CCCN(C[C@H](O)c2ccc(F)c(F)c2)C1 ZINC000852319922 634721140 /nfs/dbraw/zinc/72/11/40/634721140.db2.gz TYAVRZRLZNUMDM-ABAIWWIYSA-N 0 1 280.318 2.624 20 30 CFEDMN C#C[C@@H](NCc1ccc(OCC2CC2)cc1)[C@H]1CCCO1 ZINC000790991979 629278673 /nfs/dbraw/zinc/27/86/73/629278673.db2.gz SIBSEVBITYKSIM-QZTJIDSGSA-N 0 1 285.387 2.746 20 30 CFEDMN N#C[C@]1(c2ccccn2)CCCN(C[C@@H]2C[C@H]3C[C@H]3C2)C1 ZINC000852331072 634723775 /nfs/dbraw/zinc/72/37/75/634723775.db2.gz JFLUJXKFKRKEDE-KYHPRHEASA-N 0 1 281.403 2.985 20 30 CFEDMN O=C(Cc1[nH]nc2ccccc21)OCC#Cc1ccccc1 ZINC000791348296 629302963 /nfs/dbraw/zinc/30/29/63/629302963.db2.gz QRSZVWASRNBLEJ-UHFFFAOYSA-N 0 1 290.322 2.700 20 30 CFEDMN CC(C)[C@H](C(=O)OCC#Cc1ccccc1)N1CCCC1 ZINC000791391662 629308092 /nfs/dbraw/zinc/30/80/92/629308092.db2.gz NDDNVPTWPCCFQW-QGZVFWFLSA-N 0 1 285.387 2.702 20 30 CFEDMN CC[C@H](C)CC(=O)OCC(=O)[C@@H](C#N)c1nc(C)cs1 ZINC000791501939 629323336 /nfs/dbraw/zinc/32/33/36/629323336.db2.gz FHEJULTXVDQRJZ-GXSJLCMTSA-N 0 1 294.376 2.607 20 30 CFEDMN CC[C@H](C)CC(=O)OCC(=O)C(C#N)c1nc(C)cs1 ZINC000791501939 629323338 /nfs/dbraw/zinc/32/33/38/629323338.db2.gz FHEJULTXVDQRJZ-GXSJLCMTSA-N 0 1 294.376 2.607 20 30 CFEDMN CN(C)c1ccc(/C=C/CNCC(C)(C)C#N)cc1 ZINC000835048238 629345289 /nfs/dbraw/zinc/34/52/89/629345289.db2.gz OIHWLUOWXRILBJ-AATRIKPKSA-N 0 1 257.381 2.905 20 30 CFEDMN CC[C@@H]1CCC[C@@H]1C(=O)C(C#N)C(=O)NCc1ccccc1 ZINC000835061273 629363776 /nfs/dbraw/zinc/36/37/76/629363776.db2.gz KGFWDQSHMQDSRU-PMPSAXMXSA-N 0 1 298.386 2.838 20 30 CFEDMN N#CC(C(=O)Nc1ccc(Cl)cc1)C(=O)[C@@H]1CC1(F)F ZINC000835060143 629365013 /nfs/dbraw/zinc/36/50/13/629365013.db2.gz JLLVMPFIKJOSTD-ZJUUUORDSA-N 0 1 298.676 2.643 20 30 CFEDMN CCC[C@@H]1CCC[C@H]1C(=O)C(C#N)C(=O)Nc1ccccn1 ZINC000835076490 629374517 /nfs/dbraw/zinc/37/45/17/629374517.db2.gz JQOARJHBCHXUJI-MCIONIFRSA-N 0 1 299.374 2.945 20 30 CFEDMN C=C[C@@H]1OCC[C@H]1C(=O)C(C#N)c1nc2ccccc2o1 ZINC000835077839 629374978 /nfs/dbraw/zinc/37/49/78/629374978.db2.gz XETYEPIQANYHPZ-WZRBSPASSA-N 0 1 282.299 2.595 20 30 CFEDMN CC(C)[C@H](F)C(=O)[C@H](C#N)c1cnc2ccccc2n1 ZINC000792110480 629398163 /nfs/dbraw/zinc/39/81/63/629398163.db2.gz QGLDISFJEMHAOT-YGRLFVJLSA-N 0 1 271.295 2.800 20 30 CFEDMN N#C[C@H](C(=O)[C@@H]1CC12CCC2)c1cnc2ccccc2n1 ZINC000792108766 629398179 /nfs/dbraw/zinc/39/81/79/629398179.db2.gz LCSJUXDRJSGGMF-RYUDHWBXSA-N 0 1 277.327 2.996 20 30 CFEDMN C=CCN(Cc1cccc(Cl)n1)[C@@H](C)COC ZINC000852358090 634732849 /nfs/dbraw/zinc/73/28/49/634732849.db2.gz MBTXEGDOBWNUSA-NSHDSACASA-N 0 1 254.761 2.758 20 30 CFEDMN C#CCN(CCOc1ccc(Cl)c(F)c1)C1CC1 ZINC000792291088 629418487 /nfs/dbraw/zinc/41/84/87/629418487.db2.gz MAAVNIDUTWEIOF-UHFFFAOYSA-N 0 1 267.731 2.956 20 30 CFEDMN N#Cc1ccc(F)cc1COC(=O)c1ccc2cncn2c1 ZINC000792549764 629433170 /nfs/dbraw/zinc/43/31/70/629433170.db2.gz FIXGRJDKTYQFAQ-UHFFFAOYSA-N 0 1 295.273 2.702 20 30 CFEDMN C#Cc1ccc(C=NNc2ccccc2S(C)(=O)=O)cc1 ZINC000792633867 629440037 /nfs/dbraw/zinc/44/00/37/629440037.db2.gz UWHGPAGIICHTNN-UHFFFAOYSA-N 0 1 298.367 2.517 20 30 CFEDMN C[C@@H](NN=Cc1cnc(N(C)C)s1)C(C)(C)C ZINC000793115951 629487300 /nfs/dbraw/zinc/48/73/00/629487300.db2.gz UWEYBUMSVYLROP-SECBINFHSA-N 0 1 254.403 2.567 20 30 CFEDMN C#CC[C@@H](OC(=O)c1ccc2cncn2c1)c1ccccn1 ZINC000793140628 629492393 /nfs/dbraw/zinc/49/23/93/629492393.db2.gz QPMNPBXTFSFFDJ-MRXNPFEDSA-N 0 1 291.310 2.651 20 30 CFEDMN Oc1cc2c(cc1CN=Nc1cccc(Cl)n1)OCO2 ZINC000793163000 629495173 /nfs/dbraw/zinc/49/51/73/629495173.db2.gz VAETWOWMRJYCPI-UHFFFAOYSA-N 0 1 291.694 2.615 20 30 CFEDMN C=C(C)CCOC(=O)c1ccc(-c2nnc[nH]2)cc1 ZINC000793164222 629495680 /nfs/dbraw/zinc/49/56/80/629495680.db2.gz VRBRUKVQPYZWQC-UHFFFAOYSA-N 0 1 257.293 2.595 20 30 CFEDMN COCc1ccc(C=NNc2cccc(Cl)n2)o1 ZINC000793181078 629500864 /nfs/dbraw/zinc/50/08/64/629500864.db2.gz IREKFNSWEHCTNY-UHFFFAOYSA-N 0 1 265.700 2.920 20 30 CFEDMN CC(C)[C@H]1CCCN1Cn1cc2c(c(C#N)c1=O)CCCC2 ZINC000793486731 629555849 /nfs/dbraw/zinc/55/58/49/629555849.db2.gz PPDIEGNCBLXTFU-QGZVFWFLSA-N 0 1 299.418 2.677 20 30 CFEDMN CCc1cc(CNC(=O)c2ccc(C(C)(C)C#N)cc2)n[nH]1 ZINC000793496773 629557024 /nfs/dbraw/zinc/55/70/24/629557024.db2.gz GKCRUURHRLCGIU-UHFFFAOYSA-N 0 1 296.374 2.703 20 30 CFEDMN N#Cc1ccc(O)c(NC(=O)[C@@H]2Cc3ccc(F)cc32)c1 ZINC000793735698 629589653 /nfs/dbraw/zinc/58/96/53/629589653.db2.gz PIELUHHXOXWIHQ-CYBMUJFWSA-N 0 1 282.274 2.681 20 30 CFEDMN Fc1ccc(-n2nccc2C=NNc2ccccn2)cc1 ZINC000794471977 629649129 /nfs/dbraw/zinc/64/91/29/629649129.db2.gz SBBDCKYQKZYYPP-UHFFFAOYSA-N 0 1 281.294 2.852 20 30 CFEDMN C=CCCN(Cc1n[nH]c(C)n1)OCc1ccccc1 ZINC000794511356 629652575 /nfs/dbraw/zinc/65/25/75/629652575.db2.gz APXBMHABWFHFBK-UHFFFAOYSA-N 0 1 272.352 2.623 20 30 CFEDMN FC(F)(F)CCNN=Cc1cc(-c2ccccc2)[nH]n1 ZINC000794545298 629659360 /nfs/dbraw/zinc/65/93/60/629659360.db2.gz KESQRYWBSBDZJK-UHFFFAOYSA-N 0 1 282.269 2.953 20 30 CFEDMN C#CC(C)(C)N(C)Cc1cnn(Cc2ccccc2)c1 ZINC000794575508 629664668 /nfs/dbraw/zinc/66/46/68/629664668.db2.gz YJHQTIUMNVWJRF-UHFFFAOYSA-N 0 1 267.376 2.775 20 30 CFEDMN CCn1ncnc1C/N=C/c1cc(Cl)cc(Cl)c1O ZINC000794848539 629693877 /nfs/dbraw/zinc/69/38/77/629693877.db2.gz QEVRPPUZJUWWMW-PJQLUOCWSA-N 0 1 299.161 2.930 20 30 CFEDMN Cc1cc(=O)[nH]c(N=NCCc2cccc(Cl)c2)n1 ZINC000794856287 629696188 /nfs/dbraw/zinc/69/61/88/629696188.db2.gz GFWRXCHVUFMDPN-UHFFFAOYSA-N 0 1 276.727 2.784 20 30 CFEDMN CC(C)N1CC(=NNCc2ccccc2N(C)C)[C@H](C)C1 ZINC000794956085 629709293 /nfs/dbraw/zinc/70/92/93/629709293.db2.gz MZBMRFVELTUNGQ-CQSZACIVSA-N 0 1 288.439 2.558 20 30 CFEDMN C=C(C)COc1cc(CN=Nc2cncnc2)ccc1OC ZINC000794976076 629713471 /nfs/dbraw/zinc/71/34/71/629713471.db2.gz CQFGBYAGJLWJPO-UHFFFAOYSA-N 0 1 298.346 2.886 20 30 CFEDMN CC(=NNc1cncnc1)c1c(C)cc(C)cc1O ZINC000794976150 629713546 /nfs/dbraw/zinc/71/35/46/629713546.db2.gz FJVYHMFUQZMQMW-UHFFFAOYSA-N 0 1 256.309 2.635 20 30 CFEDMN Fc1ccc(CN=Nc2cncnc2)cc1Cl ZINC000794976654 629714620 /nfs/dbraw/zinc/71/46/20/629714620.db2.gz OXJKYKFDZJJRQJ-UHFFFAOYSA-N 0 1 250.664 2.715 20 30 CFEDMN CC(C)(C)OC(=O)c1ccc(CN=Nc2cncnc2)cc1 ZINC000794976942 629714646 /nfs/dbraw/zinc/71/46/46/629714646.db2.gz TWVWGOAADGXLAO-UHFFFAOYSA-N 0 1 298.346 2.878 20 30 CFEDMN CC(=NNc1cccc(F)n1)c1cccc([N+](=O)[O-])c1 ZINC000795009791 629724470 /nfs/dbraw/zinc/72/44/70/629724470.db2.gz KHMMNKJLVAZYQL-UHFFFAOYSA-N 0 1 274.255 2.965 20 30 CFEDMN COCCCON=Cc1cc(Cl)cc(F)c1O ZINC000795051316 629730057 /nfs/dbraw/zinc/73/00/57/629730057.db2.gz OBGIWADOQWMYBT-UHFFFAOYSA-N 0 1 261.680 2.572 20 30 CFEDMN C#CCCN1CCN(c2nc3cccc(C)c3s2)CC1 ZINC000795080662 629732763 /nfs/dbraw/zinc/73/27/63/629732763.db2.gz OEQLJFPAYDSIFS-UHFFFAOYSA-N 0 1 285.416 2.750 20 30 CFEDMN COc1ccc([C@H]2CCCN2CCO[C@H](C)C#N)cc1F ZINC000852521383 634770439 /nfs/dbraw/zinc/77/04/39/634770439.db2.gz OKPVMXQPUHFGIY-IUODEOHRSA-N 0 1 292.354 2.900 20 30 CFEDMN CC[C@H](C#N)Oc1cccc(CNCc2c(C)cnn2C)c1 ZINC000796309135 629902355 /nfs/dbraw/zinc/90/23/55/629902355.db2.gz VJAMGWZZRVWBHR-OAHLLOKOSA-N 0 1 298.390 2.699 20 30 CFEDMN CO[C@H](C(=O)C(C#N)c1nc2ccccc2s1)C1CC1 ZINC000796631377 629942944 /nfs/dbraw/zinc/94/29/44/629942944.db2.gz YWQRVZXYUOMULJ-HZMBPMFUSA-N 0 1 286.356 2.898 20 30 CFEDMN Cc1cc([C@H](C#N)C(=O)[C@@H]2Cc3ccc(F)cc32)nc(C)n1 ZINC000796633608 629942972 /nfs/dbraw/zinc/94/29/72/629942972.db2.gz QPKPRCQHCSRKNW-CABCVRRESA-N 0 1 295.317 2.749 20 30 CFEDMN N#CC(C(=O)[C@H](F)CC1CCCCC1)C(=O)N1CCCC1 ZINC000796634308 629943435 /nfs/dbraw/zinc/94/34/35/629943435.db2.gz YDBCWRLCQAASEP-UONOGXRCSA-N 0 1 294.370 2.626 20 30 CFEDMN C=CCNC(=O)C(C#N)C(=O)CC(C)(C)C1CCCCC1 ZINC000796637128 629943961 /nfs/dbraw/zinc/94/39/61/629943961.db2.gz TTZBSGIBFBBZOR-CQSZACIVSA-N 0 1 290.407 2.994 20 30 CFEDMN CO[C@H](C(=O)C(C#N)c1nc(C(C)C)cs1)C1CC1 ZINC000796746941 629959400 /nfs/dbraw/zinc/95/94/00/629959400.db2.gz OXGAOKAQTWVOCV-MFKMUULPSA-N 0 1 278.377 2.868 20 30 CFEDMN CC1(C)CC(CC(=O)[C@@H](C#N)C(=O)NC2CCCC2)C1 ZINC000796757488 629960574 /nfs/dbraw/zinc/96/05/74/629960574.db2.gz YAUQMLFOAHGLTC-CYBMUJFWSA-N 0 1 276.380 2.580 20 30 CFEDMN Cc1cc(C(C#N)C(=O)CCCOC(C)(C)C)nc(C)n1 ZINC000796777593 629964533 /nfs/dbraw/zinc/96/45/33/629964533.db2.gz SQAGPBFXBRNWDG-CYBMUJFWSA-N 0 1 289.379 2.865 20 30 CFEDMN CC[C@@H](C)CCC(=O)C(C#N)C(=O)NC1CCCCC1 ZINC000796790776 629968181 /nfs/dbraw/zinc/96/81/81/629968181.db2.gz VIHHLRCXYQEKDT-OCCSQVGLSA-N 0 1 278.396 2.970 20 30 CFEDMN C=CC(C)(C)COC(=O)c1ccc(-c2nnc[nH]2)cc1 ZINC000835722316 629984225 /nfs/dbraw/zinc/98/42/25/629984225.db2.gz BFBCGMCKBRLQHQ-UHFFFAOYSA-N 0 1 271.320 2.841 20 30 CFEDMN CC(C)c1c(Cl)ncnc1N=NC1CN(C)C[C@H]1C ZINC000797404229 630061563 /nfs/dbraw/zinc/06/15/63/630061563.db2.gz IKPHUPGDOMUYGS-SECBINFHSA-N 0 1 281.791 2.603 20 30 CFEDMN Cc1cc(C(=O)/C=C\c2cc(F)c(O)c(F)c2)no1 ZINC000798230442 630168573 /nfs/dbraw/zinc/16/85/73/630168573.db2.gz NLRHZIJOXHOLGD-IHWYPQMZSA-N 0 1 265.215 2.863 20 30 CFEDMN COc1ccc(CNCc2cn(C(C)C)nc2C)cc1C#N ZINC000798496348 630196534 /nfs/dbraw/zinc/19/65/34/630196534.db2.gz YXYJMQJPQMOANT-UHFFFAOYSA-N 0 1 298.390 2.943 20 30 CFEDMN CC(C)[C@@H](C(=O)OCc1ccc(Cl)cc1C#N)N(C)C ZINC000798850224 630245906 /nfs/dbraw/zinc/24/59/06/630245906.db2.gz LZSYEGCRVCUYHU-AWEZNQCLSA-N 0 1 294.782 2.841 20 30 CFEDMN CC[C@@H](C(=O)OCC(C)(C)CCC#N)N(CC)CC ZINC000798878383 630252793 /nfs/dbraw/zinc/25/27/93/630252793.db2.gz WXQKHMQLKWKLTP-ZDUSSCGKSA-N 0 1 268.401 2.980 20 30 CFEDMN C#C[C@H](NC(=O)[C@H]1CCCCN1Cc1ccccc1)C(C)C ZINC000799046309 630269863 /nfs/dbraw/zinc/26/98/63/630269863.db2.gz HMHYUWMZQAFSIG-ZWKOTPCHSA-N 0 1 298.430 2.815 20 30 CFEDMN CC(C)(CO)CNN=Cc1ccc(N2CCCCC2)s1 ZINC000799115009 630276679 /nfs/dbraw/zinc/27/66/79/630276679.db2.gz QCNOKFFWPLTFGR-UHFFFAOYSA-N 0 1 295.452 2.680 20 30 CFEDMN O=[N+]([O-])c1cccc(NN=Cc2cc(C(F)(F)F)n[nH]2)c1 ZINC000799466007 630311167 /nfs/dbraw/zinc/31/11/67/630311167.db2.gz WBBQCPGDDFWGPD-UHFFFAOYSA-N 0 1 299.212 2.783 20 30 CFEDMN Cc1ccc(NN=Cc2cc(C(F)(F)F)[nH]n2)nc1 ZINC000799479281 630313050 /nfs/dbraw/zinc/31/30/50/630313050.db2.gz ZUSSOZPAVPABRI-UHFFFAOYSA-N 0 1 269.230 2.578 20 30 CFEDMN Cc1ccc([N-]N=Cc2cc(C(F)(F)F)[nH]n2)[nH+]c1 ZINC000799479281 630313055 /nfs/dbraw/zinc/31/30/55/630313055.db2.gz ZUSSOZPAVPABRI-UHFFFAOYSA-N 0 1 269.230 2.578 20 30 CFEDMN Cc1oncc1C(C)N=Nc1ccc(C(F)(F)F)nn1 ZINC000799482942 630313565 /nfs/dbraw/zinc/31/35/65/630313565.db2.gz RMUNIPBLMQFTAU-UHFFFAOYSA-N 0 1 285.229 2.628 20 30 CFEDMN C[C@@H]1CC(=NC(=O)c2ccc(Oc3ccccc3)cn2)NO1 ZINC000799714503 630338097 /nfs/dbraw/zinc/33/80/97/630338097.db2.gz WBFRTFVFWWPSKG-LLVKDONJSA-N 0 1 297.314 2.726 20 30 CFEDMN C#C[C@H](N[C@H]1CCCc2c(OC)cccc21)[C@@H]1CCCO1 ZINC000799724648 630340343 /nfs/dbraw/zinc/34/03/43/630340343.db2.gz GNVMUUJDLVMSSI-BQFCYCMXSA-N 0 1 285.387 2.843 20 30 CFEDMN CC(=NNc1ncnc2[nH]cnc21)c1c(C)cc(C)cc1O ZINC000799876546 630350570 /nfs/dbraw/zinc/35/05/70/630350570.db2.gz SVGFHDNDCAEZDO-UHFFFAOYSA-N 0 1 296.334 2.511 20 30 CFEDMN O=c1[nH]c(N=NC2CCC23CCOCC3)nc2ccccc21 ZINC000799881856 630351184 /nfs/dbraw/zinc/35/11/84/630351184.db2.gz ZLBGWVORPPVULH-UHFFFAOYSA-N 0 1 298.346 2.694 20 30 CFEDMN N#CC(C(=O)NC1CCCC1)C(=O)[C@H]1CCCC(F)(F)C1 ZINC000800385716 630376874 /nfs/dbraw/zinc/37/68/74/630376874.db2.gz DKOOQDXBEOIOIR-JQWIXIFHSA-N 0 1 298.333 2.580 20 30 CFEDMN CSCC(C)(C)C(=O)Nc1cc(C#N)ccc1O ZINC000800524864 630394115 /nfs/dbraw/zinc/39/41/15/630394115.db2.gz OHLASBDAWJBIJG-UHFFFAOYSA-N 0 1 264.350 2.592 20 30 CFEDMN CCc1oc(C=N[N-]c2ccc(C)c[nH+]2)cc1C(=O)OC ZINC000800811838 630407124 /nfs/dbraw/zinc/40/71/24/630407124.db2.gz LEZVENHNPUCMQS-UHFFFAOYSA-N 0 1 287.319 2.778 20 30 CFEDMN COC(=O)c1c(F)cccc1N=NCc1occc1C ZINC000800816982 630408352 /nfs/dbraw/zinc/40/83/52/630408352.db2.gz KZZTUCBOHDMFOF-UHFFFAOYSA-N 0 1 276.267 2.960 20 30 CFEDMN COC(=O)c1c(F)cccc1NN=C(C)c1nccs1 ZINC000800818285 630408442 /nfs/dbraw/zinc/40/84/42/630408442.db2.gz QKKWTZLCHATURR-UHFFFAOYSA-N 0 1 293.323 2.905 20 30 CFEDMN CC(C)(C)CCCC(=O)C(C#N)C(=O)Nc1ccccn1 ZINC000103640707 630429289 /nfs/dbraw/zinc/42/92/89/630429289.db2.gz RHZVCYGYLSHQLX-GFCCVEGCSA-N 0 1 287.363 2.945 20 30 CFEDMN C[C@@H](c1cccc(C#N)c1)N1CCC(N2CCOC2=O)CC1 ZINC000852721174 634814540 /nfs/dbraw/zinc/81/45/40/634814540.db2.gz HHZZOBKGVIAFEH-ZDUSSCGKSA-N 0 1 299.374 2.536 20 30 CFEDMN C[C@H](C#N)OCCN[C@@H](C)c1cccc(F)c1F ZINC000801938507 630492256 /nfs/dbraw/zinc/49/22/56/630492256.db2.gz FQDWNRCGLSTYKP-ZJUUUORDSA-N 0 1 254.280 2.544 20 30 CFEDMN C[C@H](C#N)OCCN[C@H](C)c1nc2ccccc2s1 ZINC000801941846 630492962 /nfs/dbraw/zinc/49/29/62/630492962.db2.gz ZHXFVYATMONLJD-GHMZBOCLSA-N 0 1 275.377 2.876 20 30 CFEDMN N#C[C@@H](C(=O)Cc1ccc(Cl)s1)c1ccncn1 ZINC000802147417 630508145 /nfs/dbraw/zinc/50/81/45/630508145.db2.gz GQSQAWTYSLXCKI-SECBINFHSA-N 0 1 277.736 2.610 20 30 CFEDMN N#CC(C(=O)C=Cc1ccc[nH]1)c1cnc2ccccc2n1 ZINC000802227523 630514690 /nfs/dbraw/zinc/51/46/90/630514690.db2.gz IDWAKESIAGSSNY-GWJCSSMESA-N 0 1 288.310 2.848 20 30 CFEDMN N#CC(=C(O)C=Cc1ccc[nH]1)c1cnc2ccccc2n1 ZINC000802227523 630514693 /nfs/dbraw/zinc/51/46/93/630514693.db2.gz IDWAKESIAGSSNY-GWJCSSMESA-N 0 1 288.310 2.848 20 30 CFEDMN C=C(CC)CN1CC[C@@H](F)[C@H](NC(=O)OC(C)(C)C)C1 ZINC000852739211 634818509 /nfs/dbraw/zinc/81/85/09/634818509.db2.gz OTMUQJQNBSEGJA-CHWSQXEVSA-N 0 1 286.391 2.890 20 30 CFEDMN CC(C)c1[nH]ccc1C(=O)Nc1cc(C#N)ccc1O ZINC000802891892 630560640 /nfs/dbraw/zinc/56/06/40/630560640.db2.gz WOWZGOHWSCMDCP-UHFFFAOYSA-N 0 1 269.304 2.968 20 30 CFEDMN C#CCOc1ccccc1NC(=O)c1ccc2cncn2c1 ZINC000803120961 630586318 /nfs/dbraw/zinc/58/63/18/630586318.db2.gz HOHMMWLCEHGMCM-UHFFFAOYSA-N 0 1 291.310 2.599 20 30 CFEDMN C=CCCCCCN(C)CN1C[C@H]2CCC[C@@H]2C1=O ZINC000840005002 630628088 /nfs/dbraw/zinc/62/80/88/630628088.db2.gz BIJSCRXDFMEHNL-CABCVRRESA-N 0 1 264.413 2.881 20 30 CFEDMN C=CCc1cc(OC)cc(CN2CC[C@@H](F)C2)c1O ZINC000840107105 630902105 /nfs/dbraw/zinc/90/21/05/630902105.db2.gz VZVWZIGZALJGDV-CYBMUJFWSA-N 0 1 265.328 2.673 20 30 CFEDMN CC(C)(O)c1ccc(CN=Nc2ccncc2Cl)cc1 ZINC000807977325 630928857 /nfs/dbraw/zinc/92/88/57/630928857.db2.gz IWBVTOLAEACZJW-UHFFFAOYSA-N 0 1 289.766 2.830 20 30 CFEDMN COc1ccc(NN=Cc2ccc(C(C)(C)O)cc2)nc1 ZINC000807983642 630930366 /nfs/dbraw/zinc/93/03/66/630930366.db2.gz SSCSRNNDOWTMMX-UHFFFAOYSA-N 0 1 285.347 2.764 20 30 CFEDMN C#CCC1(C(=O)N2CCN([C@H](C)CC)CC2)CCCCC1 ZINC000837006137 630936384 /nfs/dbraw/zinc/93/63/84/630936384.db2.gz ZRNRXFHQNFIPFV-MRXNPFEDSA-N 0 1 290.451 2.903 20 30 CFEDMN CC[C@H](CC(F)F)C(=O)Nc1cc(C#N)ccc1O ZINC000837495899 631047589 /nfs/dbraw/zinc/04/75/89/631047589.db2.gz GBYRAWIRDHTGLM-SECBINFHSA-N 0 1 268.263 2.884 20 30 CFEDMN C#Cc1ccc(CNCc2ccccc2OC)cc1 ZINC000809424314 631224280 /nfs/dbraw/zinc/22/42/80/631224280.db2.gz OUOLCQNBRRDEAL-UHFFFAOYSA-N 0 1 251.329 2.966 20 30 CFEDMN C#Cc1ccc(CN2CCN(c3ccccc3)CC2)cc1 ZINC000809538016 631229914 /nfs/dbraw/zinc/22/99/14/631229914.db2.gz VIHRXBRAZIFBHQ-UHFFFAOYSA-N 0 1 276.383 2.990 20 30 CFEDMN C[C@H](c1cccc(Cl)c1)N(C)C[C@H](O)CC#N ZINC000809571929 631237016 /nfs/dbraw/zinc/23/70/16/631237016.db2.gz FDIQFAJGNDNBEW-ZWNOBZJWSA-N 0 1 252.745 2.607 20 30 CFEDMN N#CC[C@@H](O)CN(Cc1ccccc1)Cc1ccccc1 ZINC000809570832 631237980 /nfs/dbraw/zinc/23/79/80/631237980.db2.gz BPWRYWXZIGARSL-GOSISDBHSA-N 0 1 280.371 2.963 20 30 CFEDMN C#Cc1ccc(CNCc2cn3ccc(C)cc3n2)cc1 ZINC000809616307 631246920 /nfs/dbraw/zinc/24/69/20/631246920.db2.gz MPIMABFDBNTDOA-UHFFFAOYSA-N 0 1 275.355 2.914 20 30 CFEDMN C#Cc1ccc(CNCc2nc3cc(F)ccc3n2C)cc1 ZINC000809623016 631248652 /nfs/dbraw/zinc/24/86/52/631248652.db2.gz ORCRQUPVIOWJIB-UHFFFAOYSA-N 0 1 293.345 2.984 20 30 CFEDMN C[C@@H](O)c1ncc(CN[C@@H](C)c2cccc(C#N)c2)s1 ZINC000809622868 631248758 /nfs/dbraw/zinc/24/87/58/631248758.db2.gz MZJRBZYDRYOSRR-WDEREUQCSA-N 0 1 287.388 2.919 20 30 CFEDMN C#CCOc1ccccc1CNc1nccn1C1CC1 ZINC000840887679 631252086 /nfs/dbraw/zinc/25/20/86/631252086.db2.gz TYICOYQAQLRPAT-UHFFFAOYSA-N 0 1 267.332 2.842 20 30 CFEDMN C#Cc1ccc(CN[C@H](C)c2ccncc2OC)cc1 ZINC000809650025 631255531 /nfs/dbraw/zinc/25/55/31/631255531.db2.gz LFBZDGAAQLOWEP-CYBMUJFWSA-N 0 1 266.344 2.922 20 30 CFEDMN C#C[C@@H](C)N(C)CCN(C(=O)OC(C)(C)C)C(C)(C)C ZINC000809655213 631257023 /nfs/dbraw/zinc/25/70/23/631257023.db2.gz DVNJJCDPWSBQLJ-CYBMUJFWSA-N 0 1 282.428 2.976 20 30 CFEDMN C#C[C@H](C)NCc1cnn(-c2ccc(Cl)cc2)c1 ZINC000809683839 631260576 /nfs/dbraw/zinc/26/05/76/631260576.db2.gz RFCGWTMFURAZRL-NSHDSACASA-N 0 1 259.740 2.637 20 30 CFEDMN C#C[C@H](C)NCc1cn(-c2ccc(Cl)cc2)nc1C ZINC000809683584 631261913 /nfs/dbraw/zinc/26/19/13/631261913.db2.gz GVWOOQJMKVTYPA-NSHDSACASA-N 0 1 273.767 2.945 20 30 CFEDMN C#C[C@@H](CC)NCc1ccc([N+](=O)[O-])c(Cl)c1 ZINC000809686361 631262847 /nfs/dbraw/zinc/26/28/47/631262847.db2.gz NSOUUSKCJKWAJH-JTQLQIEISA-N 0 1 252.701 2.750 20 30 CFEDMN C#C[C@@H](NCc1cn2cc(C)ccc2n1)C(C)(C)C ZINC000809781132 631288355 /nfs/dbraw/zinc/28/83/55/631288355.db2.gz HSZRGVRNSDUSPB-CQSZACIVSA-N 0 1 255.365 2.780 20 30 CFEDMN CC[C@H](CC1CCCC1)C(=O)C(C#N)C(=O)NC1CC1 ZINC000842288758 631580158 /nfs/dbraw/zinc/58/01/58/631580158.db2.gz JUDQHXHKNUQNQG-OCCSQVGLSA-N 0 1 276.380 2.580 20 30 CFEDMN Cc1ccnc(NN=Cc2ccnn2CC(C)C)c1 ZINC000842528189 631652713 /nfs/dbraw/zinc/65/27/13/631652713.db2.gz QMRFXGBNPIJNMB-UHFFFAOYSA-N 0 1 257.341 2.689 20 30 CFEDMN Cc1nn(-c2ccccc2)c(N)c1C=NOC1CCC1 ZINC000812235660 631673904 /nfs/dbraw/zinc/67/39/04/631673904.db2.gz MFPJLAPGYBVAQJ-UHFFFAOYSA-N 0 1 270.336 2.666 20 30 CFEDMN CON=Cc1ccc(-c2nc([C@H](N)CC(C)C)no2)cc1 ZINC000842587728 631674957 /nfs/dbraw/zinc/67/49/57/631674957.db2.gz GSWXAZBXNQIMAG-CYBMUJFWSA-N 0 1 288.351 2.763 20 30 CFEDMN C#CC[C@H]1CCCN(CN2CCN(c3ccccc3)C2=O)C1 ZINC000842630054 631685721 /nfs/dbraw/zinc/68/57/21/631685721.db2.gz WJRJVMHCVKSKTD-INIZCTEOSA-N 0 1 297.402 2.621 20 30 CFEDMN C#CC[C@@H]1CCCN(CN2CC(CC)(CC)OC2=O)C1 ZINC000842629443 631685844 /nfs/dbraw/zinc/68/58/44/631685844.db2.gz MZAITKSAYXDFLF-CQSZACIVSA-N 0 1 278.396 2.690 20 30 CFEDMN C#CC1CCN(CN2C[C@H](CC(C)(C)C)CC2=O)CC1 ZINC000842634223 631688873 /nfs/dbraw/zinc/68/88/73/631688873.db2.gz RDOAMAYBOKBVJA-HNNXBMFYSA-N 0 1 276.424 2.574 20 30 CFEDMN C#CC(C)(C)N(C)Cc1cncc(C(F)(F)F)c1 ZINC000812837467 631793975 /nfs/dbraw/zinc/79/39/75/631793975.db2.gz PQVDKLHORATHLW-UHFFFAOYSA-N 0 1 256.271 2.944 20 30 CFEDMN CCC[C@H](NC[C@H](C#N)CCC#N)[C@H](O)c1ccccc1 ZINC000843085835 631830576 /nfs/dbraw/zinc/83/05/76/631830576.db2.gz CRCXHFAPTBCBLJ-BHYGNILZSA-N 0 1 285.391 2.922 20 30 CFEDMN C[C@H](C[C@H](O)c1ccc(F)cc1)NC[C@H](C#N)CCC#N ZINC000843100253 631834235 /nfs/dbraw/zinc/83/42/35/631834235.db2.gz HECSXCXMHQAFOZ-WWGRRREGSA-N 0 1 289.354 2.671 20 30 CFEDMN C=CCCOCCCCc1nc([C@H](N)C(C)C)no1 ZINC000843154067 631866643 /nfs/dbraw/zinc/86/66/43/631866643.db2.gz XBILMEPHDADYCF-CYBMUJFWSA-N 0 1 267.373 2.641 20 30 CFEDMN N#CC(C(=O)C1CCOCC1)c1cc(C(F)(F)F)ccn1 ZINC000813211623 631882038 /nfs/dbraw/zinc/88/20/38/631882038.db2.gz NNTKXMAJLOKRCY-NSHDSACASA-N 0 1 298.264 2.703 20 30 CFEDMN C[C@H](C[C@@H](O)c1ccco1)NCc1cccc(F)c1C#N ZINC000813337809 631907105 /nfs/dbraw/zinc/90/71/05/631907105.db2.gz VBBVBVDDUKBIEP-IAQYHMDHSA-N 0 1 288.322 2.892 20 30 CFEDMN C#C[C@H](NC(=O)c1c(C)n[nH]c1C(F)(F)F)C(C)(C)C ZINC000813774503 631957318 /nfs/dbraw/zinc/95/73/18/631957318.db2.gz FZTDCBSGOFAEOB-QMMMGPOBSA-N 0 1 287.285 2.515 20 30 CFEDMN C#C[C@H](NCc1ccc2c(c1)CCCC2)[C@H]1CCCO1 ZINC000813776316 631958863 /nfs/dbraw/zinc/95/88/63/631958863.db2.gz UTKZUWBHQOYZKI-ZWKOTPCHSA-N 0 1 269.388 2.836 20 30 CFEDMN CCCCCC[C@](C)(CC)C(=O)N[C@@H]1CNC[C@H]1C#N ZINC000843460834 631963355 /nfs/dbraw/zinc/96/33/55/631963355.db2.gz QXRCBFOREUNGTF-FMKPAKJESA-N 0 1 279.428 2.601 20 30 CFEDMN C#CC1CCN(C(=O)[C@@H](c2ccccc2)N(CC)CC)CC1 ZINC000843706234 632034124 /nfs/dbraw/zinc/03/41/24/632034124.db2.gz NXNNVRFFWVFOTF-GOSISDBHSA-N 0 1 298.430 2.941 20 30 CFEDMN C#C[C@@H](NC(=O)c1c(C)n[nH]c1C(C)C)c1ccccc1 ZINC000843968189 632086536 /nfs/dbraw/zinc/08/65/36/632086536.db2.gz TXXDKAGMKFQPDB-CQSZACIVSA-N 0 1 281.359 2.946 20 30 CFEDMN Cc1cc(N=NC2COc3cccc(Cl)c32)nc(C)n1 ZINC000814806991 632128775 /nfs/dbraw/zinc/12/87/75/632128775.db2.gz ACDKKKSHTOBCFP-UHFFFAOYSA-N 0 1 288.738 2.955 20 30 CFEDMN C(CN1CCCCC1)NN=C1CCCC[C@@H]1[C@@H]1CCOC1 ZINC000814809004 632129925 /nfs/dbraw/zinc/12/99/25/632129925.db2.gz WMMITDRCNVJNMH-HZPDHXFCSA-N 0 1 293.455 2.645 20 30 CFEDMN Cc1nccc(CN=Nc2cc(F)c(F)cc2F)n1 ZINC000814851339 632138589 /nfs/dbraw/zinc/13/85/89/632138589.db2.gz KDUFWDJMXJLESI-UHFFFAOYSA-N 0 1 266.226 2.648 20 30 CFEDMN Oc1cc(F)c(Cl)cc1C=NOCC(F)F ZINC000814904010 632157636 /nfs/dbraw/zinc/15/76/36/632157636.db2.gz MRAWQPVGYPQAFA-UHFFFAOYSA-N 0 1 253.607 2.800 20 30 CFEDMN Cc1cccnc1N=NCc1ccc2c(c1)sc(=O)n2C ZINC000814911454 632161675 /nfs/dbraw/zinc/16/16/75/632161675.db2.gz IQENARCTCITAMZ-UHFFFAOYSA-N 0 1 298.371 2.749 20 30 CFEDMN CCC(=NNc1nccn1C)c1ccc(F)cc1F ZINC000814919489 632165045 /nfs/dbraw/zinc/16/50/45/632165045.db2.gz SRQQMEROBAXFMO-UHFFFAOYSA-N 0 1 264.279 2.925 20 30 CFEDMN CSCCON=Cc1cc(Cl)c(F)cc1O ZINC000814921961 632166193 /nfs/dbraw/zinc/16/61/93/632166193.db2.gz MHGCTPITWYTJEE-UHFFFAOYSA-N 0 1 263.721 2.898 20 30 CFEDMN CCC(=NNc1cncnc1)c1ccc(F)cc1F ZINC000814927128 632168685 /nfs/dbraw/zinc/16/86/85/632168685.db2.gz XXSPOWSLFHLKGZ-UHFFFAOYSA-N 0 1 262.263 2.981 20 30 CFEDMN C#CC[C@H]1CCCN(Cc2ccc(C#N)cc2[N+](=O)[O-])C1 ZINC000844346664 632175526 /nfs/dbraw/zinc/17/55/26/632175526.db2.gz KWFDNKDLXSUFSU-ZDUSSCGKSA-N 0 1 283.331 2.702 20 30 CFEDMN CC(N=Nc1cnnn1C)c1ccc2ccccc2c1O ZINC000814979926 632183338 /nfs/dbraw/zinc/18/33/38/632183338.db2.gz VCVUERRVTVKHSV-UHFFFAOYSA-N 0 1 281.319 2.510 20 30 CFEDMN CC(=NNc1cnnn1C)c1ccc2ccccc2c1 ZINC000814981233 632184062 /nfs/dbraw/zinc/18/40/62/632184062.db2.gz ZOUJNHJBAAKGEV-UHFFFAOYSA-N 0 1 265.320 2.804 20 30 CFEDMN CCCOc1ccc2[nH]cc(C=NNc3cnnn3C)c2c1 ZINC000814981948 632184333 /nfs/dbraw/zinc/18/43/33/632184333.db2.gz SKTRUSMYFDPUSI-UHFFFAOYSA-N 0 1 298.350 2.531 20 30 CFEDMN CC(N=Nc1cnnn1C)c1cc2ccccc2s1 ZINC000814984331 632186567 /nfs/dbraw/zinc/18/65/67/632186567.db2.gz XJTRKGBNBLNWBU-UHFFFAOYSA-N 0 1 271.349 2.866 20 30 CFEDMN C#C[C@@H](NCc1cc(C)cc(Cl)c1)[C@@H]1CCCO1 ZINC000815136169 632213869 /nfs/dbraw/zinc/21/38/69/632213869.db2.gz QCZHMZKKFHWWRV-CABCVRRESA-N 0 1 263.768 2.919 20 30 CFEDMN CN1CCC(C#N)(NC(=O)/C=C\C2CCCCCC2)CC1 ZINC000844454069 632218694 /nfs/dbraw/zinc/21/86/94/632218694.db2.gz MMTQCBWGDKFURB-HJWRWDBZSA-N 0 1 289.423 2.617 20 30 CFEDMN C=C(C)CON=Cc1ccccc1N1CCO[C@H](C)C1 ZINC000844616748 632263502 /nfs/dbraw/zinc/26/35/02/632263502.db2.gz DNLYDSNYJKSLPR-CQSZACIVSA-N 0 1 274.364 2.838 20 30 CFEDMN C=CCN1CCN(CN2CCc3ccccc3[C@@H](C)C2)C1=O ZINC000844742539 632294238 /nfs/dbraw/zinc/29/42/38/632294238.db2.gz PBJCLYHJXRSUJS-HNNXBMFYSA-N 0 1 299.418 2.529 20 30 CFEDMN N#C[C@H](C(=O)NC1CCCC1)C(=O)[C@H]1CC2CCC1CC2 ZINC000815913025 632332441 /nfs/dbraw/zinc/33/24/41/632332441.db2.gz GBHUWDBXNSOXCA-FWIFWCIWSA-N 0 1 288.391 2.580 20 30 CFEDMN N#CC(C(=O)NC1CCCCC1)C(=O)[C@@H]1C[C@H]1C1CCC1 ZINC000845440324 632435803 /nfs/dbraw/zinc/43/58/03/632435803.db2.gz DMHVZWKDVPVULQ-ZNMIVQPWSA-N 0 1 288.391 2.580 20 30 CFEDMN C=CC[N@H+](CCOC)Cc1cc(Cl)c(F)cc1[O-] ZINC000816590772 632490517 /nfs/dbraw/zinc/49/05/17/632490517.db2.gz LLMNGKGEWZVDCW-UHFFFAOYSA-N 0 1 273.735 2.819 20 30 CFEDMN C=CCC(F)(F)C(=O)N(CCC)CCN1CCCC1 ZINC000816645508 632501479 /nfs/dbraw/zinc/50/14/79/632501479.db2.gz ZNCQMOPMRBNIAI-UHFFFAOYSA-N 0 1 274.355 2.532 20 30 CFEDMN C=CCc1cc(CN2C[C@H](C)[C@@H]2C)cc(OC)c1O ZINC000816650131 632505411 /nfs/dbraw/zinc/50/54/11/632505411.db2.gz VJXFQBPRHNRTRX-RYUDHWBXSA-N 0 1 261.365 2.970 20 30 CFEDMN C=CCCC(=O)C(C#N)=C(O)C1(c2ccccc2)CC1 ZINC000845839252 632577874 /nfs/dbraw/zinc/57/78/74/632577874.db2.gz STCFBEOIQYCBMX-AWEZNQCLSA-N 0 1 267.328 2.962 20 30 CFEDMN N#CC(C(=O)CC1CC1)=C(O)C1(c2ccccc2)CC1 ZINC000845843006 632578212 /nfs/dbraw/zinc/57/82/12/632578212.db2.gz WXAHNCZNUOPPNM-CQSZACIVSA-N 0 1 267.328 2.796 20 30 CFEDMN N#CC(C(=O)[C@@H]1CCSC1)=C(O)C1(c2ccccc2)CC1 ZINC000845840420 632578695 /nfs/dbraw/zinc/57/86/95/632578695.db2.gz BHJVPOPFEWXRAC-TZMCWYRMSA-N 0 1 299.395 2.749 20 30 CFEDMN CCC[C@@H](OC)C(O)=C(C#N)C(=O)C1(c2ccccc2)CC1 ZINC000845845864 632579469 /nfs/dbraw/zinc/57/94/69/632579469.db2.gz ZUKKJEFNJGCDFJ-LSDHHAIUSA-N 0 1 299.370 2.811 20 30 CFEDMN CC(C)(C)OCC(O)=C(C#N)C(=O)C1(c2ccccc2)CC1 ZINC000845846149 632579516 /nfs/dbraw/zinc/57/95/16/632579516.db2.gz RFCDSXAJPDVEOL-CQSZACIVSA-N 0 1 299.370 2.811 20 30 CFEDMN CCC[C@@H](OC)C(O)=C(C#N)C(=O)C1(c2ccccc2)CC1 ZINC000845845862 632579758 /nfs/dbraw/zinc/57/97/58/632579758.db2.gz ZUKKJEFNJGCDFJ-HUUCEWRRSA-N 0 1 299.370 2.811 20 30 CFEDMN N#CCCCC(=O)C(C#N)=C(O)C1(c2ccccc2)CC1 ZINC000845845159 632579831 /nfs/dbraw/zinc/57/98/31/632579831.db2.gz VRYNOXGUUBQLIQ-CQSZACIVSA-N 0 1 280.327 2.690 20 30 CFEDMN C=C(C)CC[C@@H](C)OC(=O)c1ccc([N+](=O)[O-])[nH]1 ZINC000845870759 632588315 /nfs/dbraw/zinc/58/83/15/632588315.db2.gz PCHSKQYCCGKERO-SECBINFHSA-N 0 1 252.270 2.825 20 30 CFEDMN N#Cc1ccc(CN2CCC[C@]3(CC3(F)F)C2)o1 ZINC000846109182 632633833 /nfs/dbraw/zinc/63/38/33/632633833.db2.gz SVTLRSFPFKOPRH-LBPRGKRZSA-N 0 1 252.264 2.772 20 30 CFEDMN C=CCOc1ccccc1CN1C[C@H]2[C@@H](C1)C2(F)F ZINC000846108477 632633999 /nfs/dbraw/zinc/63/39/99/632633999.db2.gz AFPSMHVQFAZLMG-BETUJISGSA-N 0 1 265.303 2.948 20 30 CFEDMN N#CC(C(=O)[C@@H]1CC[C@@H]2C[C@@H]2C1)c1nnc2n1CCCCC2 ZINC000817714055 632690350 /nfs/dbraw/zinc/69/03/50/632690350.db2.gz ZNFJUMFGFKSXFU-AAVRWANBSA-N 0 1 298.390 2.617 20 30 CFEDMN C=C[C@H](C)ONC(=O)C(C)(C)c1ccc(OC)cc1 ZINC000846550094 632738095 /nfs/dbraw/zinc/73/80/95/632738095.db2.gz UWKKCDFMVXSAHD-NSHDSACASA-N 0 1 263.337 2.595 20 30 CFEDMN C=C[C@H](C)ONC(=O)[C@H]1CC(C)(C)Oc2ccccc21 ZINC000846554290 632740573 /nfs/dbraw/zinc/74/05/73/632740573.db2.gz JVCXFMIUWLIQMV-AAEUAGOBSA-N 0 1 275.348 2.954 20 30 CFEDMN C=CCCn1cc(CN(C)[C@H]2CCc3ccccc3C2)nn1 ZINC000846809589 632806201 /nfs/dbraw/zinc/80/62/01/632806201.db2.gz VGDXFRBZURORBU-SFHVURJKSA-N 0 1 296.418 2.844 20 30 CFEDMN CC(C)n1cncc1CNCc1ccc(OCC#N)cc1 ZINC000818186114 632809323 /nfs/dbraw/zinc/80/93/23/632809323.db2.gz FNAIXNDKKQFSCQ-UHFFFAOYSA-N 0 1 284.363 2.656 20 30 CFEDMN C#C[C@@H]1CCCN(Cc2ccc([N+](=O)[O-])c(OCC)c2)C1 ZINC000847020032 632883910 /nfs/dbraw/zinc/88/39/10/632883910.db2.gz VMPHLQXNZAZRFT-CYBMUJFWSA-N 0 1 288.347 2.839 20 30 CFEDMN C#C[C@H]1CCC[N@H+](C[C@H](O)c2ccccc2Cl)C1 ZINC000847020540 632885808 /nfs/dbraw/zinc/88/58/08/632885808.db2.gz ZPOWDQPHKCIGKY-WFASDCNBSA-N 0 1 263.768 2.719 20 30 CFEDMN C#C[C@H]1CCCN(C[C@H](O)c2ccccc2Cl)C1 ZINC000847020540 632885811 /nfs/dbraw/zinc/88/58/11/632885811.db2.gz ZPOWDQPHKCIGKY-WFASDCNBSA-N 0 1 263.768 2.719 20 30 CFEDMN C#C[C@@H]1CCCN([C@H](C)C(=O)Nc2cc(C)ccc2C)C1 ZINC000847022011 632887467 /nfs/dbraw/zinc/88/74/67/632887467.db2.gz DUPSRMVKWRWLEC-HZPDHXFCSA-N 0 1 284.403 2.976 20 30 CFEDMN C#C[C@@H]1CCCN(Cc2cccc3nsnc32)C1 ZINC000847023111 632889156 /nfs/dbraw/zinc/88/91/56/632889156.db2.gz AUDHEAAWRUPXQC-LLVKDONJSA-N 0 1 257.362 2.537 20 30 CFEDMN C#C[C@H]1CCCN([C@H](C)C(=O)Nc2ccccc2CC)C1 ZINC000847025087 632891045 /nfs/dbraw/zinc/89/10/45/632891045.db2.gz UYRXOHZLORPXOV-CABCVRRESA-N 0 1 284.403 2.921 20 30 CFEDMN C#C[C@H]1CCCN([C@@H](C)C(=O)N(CC)c2ccccc2)C1 ZINC000847032981 632895908 /nfs/dbraw/zinc/89/59/08/632895908.db2.gz ZQCXXXAUBBNAIS-HOTGVXAUSA-N 0 1 284.403 2.773 20 30 CFEDMN C#C[C@@H]1CCCN([C@H](C)C(=O)Nc2ccccc2C)C1 ZINC000847031075 632896094 /nfs/dbraw/zinc/89/60/94/632896094.db2.gz SHEPUAGDDJLRBV-HUUCEWRRSA-N 0 1 270.376 2.667 20 30 CFEDMN C=C(Br)CNCCC(=O)Nc1ccccc1 ZINC000818978874 632921033 /nfs/dbraw/zinc/92/10/33/632921033.db2.gz ATLFHVHOSRQLRB-UHFFFAOYSA-N 0 1 283.169 2.513 20 30 CFEDMN N#CC1(CNC[C@H](O)c2ccc(Cl)cc2)CCC1 ZINC000819376362 633138990 /nfs/dbraw/zinc/13/89/90/633138990.db2.gz ARRFFXLUMQQQRW-ZDUSSCGKSA-N 0 1 264.756 2.657 20 30 CFEDMN C[C@@H](COC(=O)c1ccc(C#N)s1)N1CCCCC1 ZINC000847961334 633168227 /nfs/dbraw/zinc/16/82/27/633168227.db2.gz URNRSGKYTIWIHS-NSHDSACASA-N 0 1 278.377 2.651 20 30 CFEDMN Cc1cc(C#N)ccc1C(=O)OCc1cc(C2CC2)[nH]n1 ZINC000848011751 633185232 /nfs/dbraw/zinc/18/52/32/633185232.db2.gz AFVKHCHCVZFKAK-UHFFFAOYSA-N 0 1 281.315 2.824 20 30 CFEDMN C#C[C@@H]1CCCN(C(=O)c2cc(-c3cccs3)[nH]n2)C1 ZINC000848286335 633233067 /nfs/dbraw/zinc/23/30/67/633233067.db2.gz GKUNUXADRKILPO-LLVKDONJSA-N 0 1 285.372 2.624 20 30 CFEDMN O=C([O-])c1cccc(N=NC2CCC[N@H+]3CCCC[C@@H]23)c1 ZINC000848399608 633248742 /nfs/dbraw/zinc/24/87/42/633248742.db2.gz UXPILECOHNCDCZ-HNNXBMFYSA-N 0 1 287.363 2.801 20 30 CFEDMN C#CCOc1ccccc1CN[C@H](C)c1ccnc(OC)c1 ZINC000848534769 633280519 /nfs/dbraw/zinc/28/05/19/633280519.db2.gz VDVWQPCXJQMVKT-CQSZACIVSA-N 0 1 296.370 2.953 20 30 CFEDMN C#CC[C@H](NCc1cnc(Cl)n1C)c1ccccc1 ZINC000848544933 633284314 /nfs/dbraw/zinc/28/43/14/633284314.db2.gz PNDNYJAXIHOCHB-AWEZNQCLSA-N 0 1 273.767 2.928 20 30 CFEDMN N#CCCCC[C@H](N)c1nc(-c2ccc3[nH]cnc3c2)no1 ZINC000848623994 633301277 /nfs/dbraw/zinc/30/12/77/633301277.db2.gz OQZDZZHSVQVBDC-NSHDSACASA-N 0 1 296.334 2.697 20 30 CFEDMN COc1ccc(C(=O)/C=C/c2cc3n(n2)CCCC3)c(O)c1 ZINC000848640622 633307050 /nfs/dbraw/zinc/30/70/50/633307050.db2.gz QIPVPIIEMXRMPF-VMPITWQZSA-N 0 1 298.342 2.830 20 30 CFEDMN C#C[C@@H]1CCCN(Cc2cccc3c2OCCCO3)C1 ZINC000848923270 633406353 /nfs/dbraw/zinc/40/63/53/633406353.db2.gz HMFVGXVQZIRKAY-CQSZACIVSA-N 0 1 271.360 2.693 20 30 CFEDMN C#CC[C@@H]1CCC[N@H+](Cc2ccccc2CC(=O)[O-])C1 ZINC000849344141 633623134 /nfs/dbraw/zinc/62/31/34/633623134.db2.gz CHDIWEGSWHYSHO-CQSZACIVSA-N 0 1 271.360 2.549 20 30 CFEDMN C=C[C@](C)(CC)C(=O)O[C@H](C)c1n[nH]c(CC)n1 ZINC000849762548 633708379 /nfs/dbraw/zinc/70/83/79/633708379.db2.gz MOZBVXDHJQEZCN-NOZJJQNGSA-N 0 1 251.330 2.574 20 30 CFEDMN C=CC[C@@H](NCc1cncc(OC)c1)c1ccncc1 ZINC000850136997 633852437 /nfs/dbraw/zinc/85/24/37/633852437.db2.gz HXVCLBIWCKFGFW-MRXNPFEDSA-N 0 1 269.348 2.892 20 30 CFEDMN C=C(Cl)CNCc1ccc(O[C@H]2CCOC2)cc1 ZINC000850142955 633854374 /nfs/dbraw/zinc/85/43/74/633854374.db2.gz BOWWYTOHWCOASC-AWEZNQCLSA-N 0 1 267.756 2.696 20 30 CFEDMN C#CC[C@H](NCc1cnc(C)n1C)c1ccccc1 ZINC000850227043 633902538 /nfs/dbraw/zinc/90/25/38/633902538.db2.gz WNJNISHVMGSGNT-INIZCTEOSA-N 0 1 253.349 2.583 20 30 CFEDMN C#CCOc1ccc(CNCc2ccnn2CCC)cc1 ZINC000850315747 633939173 /nfs/dbraw/zinc/93/91/73/633939173.db2.gz LGMSBUZNVZMQLQ-UHFFFAOYSA-N 0 1 283.375 2.595 20 30 CFEDMN COc1ccc(CN[C@H]2C[C@H](O)c3ccccc32)cc1C#N ZINC000850369885 633959756 /nfs/dbraw/zinc/95/97/56/633959756.db2.gz CBBXVFKNWBPXIQ-IRXDYDNUSA-N 0 1 294.354 2.835 20 30 CFEDMN C#CCOc1ccccc1CN[C@H]1C[C@H](O)c2ccccc21 ZINC000850371228 633960942 /nfs/dbraw/zinc/96/09/42/633960942.db2.gz VXXOYYACCIQLBU-ROUUACIJSA-N 0 1 293.366 2.967 20 30 CFEDMN COc1ccc(CN[C@@H](c2ccccc2)[C@@H](C)O)cc1C#N ZINC000850420353 633985432 /nfs/dbraw/zinc/98/54/32/633985432.db2.gz NBZVCCNQIIGQSW-FZKQIMNGSA-N 0 1 296.370 2.779 20 30 CFEDMN C#CCOc1ccc(CN[C@@H]2CCCn3nccc32)cc1 ZINC000850472695 634008479 /nfs/dbraw/zinc/00/84/79/634008479.db2.gz MKIAVJUMAUXOFM-MRXNPFEDSA-N 0 1 281.359 2.520 20 30 CFEDMN CCc1ccc(NC(=O)C(C#N)C(=O)[C@H]2C[C@H]3C[C@H]3C2)cc1 ZINC000850759621 634081566 /nfs/dbraw/zinc/08/15/66/634081566.db2.gz LDDITQWLSJCTAQ-NHIYQJMISA-N 0 1 296.370 2.942 20 30 CFEDMN N#CC(C(=O)[C@H]1COC[C@@H]1c1ccccc1)c1ccccn1 ZINC000850757330 634081868 /nfs/dbraw/zinc/08/18/68/634081868.db2.gz YWTJPXGGKHNULD-XHSDSOJGSA-N 0 1 292.338 2.688 20 30 CFEDMN FC(F)(F)c1ccc(NN=Cc2cnc3n2CCC3)nc1 ZINC000853262929 634954781 /nfs/dbraw/zinc/95/47/81/634954781.db2.gz PWLOIYNZPMIWNC-UHFFFAOYSA-N 0 1 295.268 2.689 20 30 CFEDMN CC(=NNCCN1CCCCC1)c1cc2cnccc2o1 ZINC000853291342 634959857 /nfs/dbraw/zinc/95/98/57/634959857.db2.gz HHKZTAIRKGAWKZ-UHFFFAOYSA-N 0 1 286.379 2.627 20 30 CFEDMN c1cc(CN=Nc2cnnc3ccccc23)n(CC2CC2)n1 ZINC000853307725 634964703 /nfs/dbraw/zinc/96/47/03/634964703.db2.gz PKMUNCNCEVAVSJ-UHFFFAOYSA-N 0 1 292.346 2.682 20 30 CFEDMN FC(F)(F)c1cccc(NN=Cc2cc3n(n2)CCC3)n1 ZINC000853311082 634965538 /nfs/dbraw/zinc/96/55/38/634965538.db2.gz XIWYVYQAEZMSCD-UHFFFAOYSA-N 0 1 295.268 2.689 20 30 CFEDMN CC(=N[N-]c1[nH+]ccn1C)c1ccc(C(F)F)nc1 ZINC000853340287 634975897 /nfs/dbraw/zinc/97/58/97/634975897.db2.gz SBRJKYOFGVONLZ-UHFFFAOYSA-N 0 1 265.267 2.589 20 30 CFEDMN CC[C@H]1CN(CCCOc2ccc(C#N)cc2)C[C@H](C)O1 ZINC000111273044 634984148 /nfs/dbraw/zinc/98/41/48/634984148.db2.gz BCHAWXCHDLSQKL-HOCLYGCPSA-N 0 1 288.391 2.826 20 30 CFEDMN C[C@@H]1CCCCN1N=Cc1ccc(N2CCCC2)nc1 ZINC000853379126 634986719 /nfs/dbraw/zinc/98/67/19/634986719.db2.gz GFORICONHMQXAN-CQSZACIVSA-N 0 1 272.396 2.890 20 30 CFEDMN C[C@@H]1CCCCN1N=C1CCCc2nc(N)ccc21 ZINC000853382182 634988973 /nfs/dbraw/zinc/98/89/73/634988973.db2.gz VBFCMONJRLGENK-LLVKDONJSA-N 0 1 258.369 2.579 20 30 CFEDMN C[C@H]1CC(N=Nc2cc(F)cc(Cl)c2)CN1C ZINC000853397097 634993781 /nfs/dbraw/zinc/99/37/81/634993781.db2.gz WDZGIPZMDBMFFS-QMMMGPOBSA-N 0 1 255.724 2.971 20 30 CFEDMN C[C@H]1CC(N=Nc2ccncc2F)CN1Cc1ccccc1 ZINC000853401987 634994674 /nfs/dbraw/zinc/99/46/74/634994674.db2.gz JZYJNSHANLXEPO-ZDUSSCGKSA-N 0 1 298.365 2.705 20 30 CFEDMN CC(C)CC(=NNc1ccncc1F)c1ccncc1 ZINC000853403015 634995368 /nfs/dbraw/zinc/99/53/68/634995368.db2.gz PZMYUDWNSKWKTK-UHFFFAOYSA-N 0 1 272.327 2.900 20 30 CFEDMN Clc1ccc(NN=Cc2cc3n(n2)CCCC3)nc1 ZINC000853434573 634998483 /nfs/dbraw/zinc/99/84/83/634998483.db2.gz GYQUOSHEBAFQQO-UHFFFAOYSA-N 0 1 275.743 2.714 20 30 CFEDMN C=CC[C@@H]1CCCN(CN2C(=O)[C@H](C3CC3)[C@@H]2C2CC2)C1 ZINC000853536638 635031394 /nfs/dbraw/zinc/03/13/94/635031394.db2.gz GXZZZPCHRKOZTE-XYPHTWIQSA-N 0 1 288.435 2.879 20 30 CFEDMN C=C1C[C@H]2CC[C@@H](C1)N2CN1CC[C@H](C(C)C)C1=O ZINC000853597452 635044803 /nfs/dbraw/zinc/04/48/03/635044803.db2.gz AARMIBZQWNTNOJ-QLFBSQMISA-N 0 1 262.397 2.631 20 30 CFEDMN C[C@]1(C#N)CCN(Cc2c(O)ccc3ccncc32)C1 ZINC000853596460 635044844 /nfs/dbraw/zinc/04/48/44/635044844.db2.gz HKBANGUDVDLLTB-MRXNPFEDSA-N 0 1 267.332 2.676 20 30 CFEDMN C=C(C)CCN1CC(C)(c2nnc(C3CCOCC3)o2)C1 ZINC000854076307 635205907 /nfs/dbraw/zinc/20/59/07/635205907.db2.gz QMWZQDCTYSRRAK-UHFFFAOYSA-N 0 1 291.395 2.503 20 30 CFEDMN C=CCCCCCCNC(=O)[C@H]1CCc2[nH]cnc2C1 ZINC000854451534 635308292 /nfs/dbraw/zinc/30/82/92/635308292.db2.gz CTNNSRCLKFVHHN-ZDUSSCGKSA-N 0 1 275.396 2.767 20 30 CFEDMN C=CC[C@@H]1CCCN(C(=O)c2nc[nH]c2C(F)(F)F)C1 ZINC000855437685 635549911 /nfs/dbraw/zinc/54/99/11/635549911.db2.gz ZYJSNLJRKBNCHF-SECBINFHSA-N 0 1 287.285 2.857 20 30 CFEDMN C=CC[C@H]1CCCN(C(=O)c2nnc3ccccc3c2O)C1 ZINC000855439025 635552651 /nfs/dbraw/zinc/55/26/51/635552651.db2.gz UAUBMDYSNPQJAM-LBPRGKRZSA-N 0 1 297.358 2.764 20 30 CFEDMN C#CCOc1ccc(CNCc2cccc(C)n2)cc1 ZINC000113325337 635553387 /nfs/dbraw/zinc/55/33/87/635553387.db2.gz VRLMNACUHZMVPU-UHFFFAOYSA-N 0 1 266.344 2.692 20 30 CFEDMN C#CCN(Cc1cc(C#N)ccc1OC)C1CCCC1 ZINC000156844005 650209859 /nfs/dbraw/zinc/20/98/59/650209859.db2.gz MJIMBPUPLJIHHG-UHFFFAOYSA-N 0 1 268.360 2.945 20 30 CFEDMN CCCC[C@@H](C(=O)[C@H](C#N)C(=O)NC(C)C)C(C)C ZINC000857010058 635904246 /nfs/dbraw/zinc/90/42/46/635904246.db2.gz CJUIVUVUQKWKKY-OLZOCXBDSA-N 0 1 266.385 2.682 20 30 CFEDMN C#Cc1cccc(CN[C@H]2CCCc3c[nH]nc32)c1 ZINC000857869567 636041270 /nfs/dbraw/zinc/04/12/70/636041270.db2.gz PYPDKJVSAWNQNJ-HNNXBMFYSA-N 0 1 251.333 2.558 20 30 CFEDMN Cc1ccc(O[C@@H]2CCN(Cc3cc(C#N)cs3)C2)nc1 ZINC000858012177 636115439 /nfs/dbraw/zinc/11/54/39/636115439.db2.gz DPDCSXGEDGXODJ-CQSZACIVSA-N 0 1 299.399 2.977 20 30 CFEDMN C=CCCCCC[C@H](C)NCc1cnn(CC)n1 ZINC000858443202 636242222 /nfs/dbraw/zinc/24/22/22/636242222.db2.gz BNIWIPCTDXLYJV-ZDUSSCGKSA-N 0 1 250.390 2.913 20 30 CFEDMN C[C@H](C#N)Oc1ccc(CN[C@H](CO)c2ccccc2)cc1 ZINC000116345176 636346578 /nfs/dbraw/zinc/34/65/78/636346578.db2.gz KYRSKLNGCDCCSJ-RDTXWAMCSA-N 0 1 296.370 2.801 20 30 CFEDMN C=CC[C@H]1CCN(Cc2cn(Cc3ccccc3)nn2)C1 ZINC000859445810 636566003 /nfs/dbraw/zinc/56/60/03/636566003.db2.gz PLXQRPKHAQOXKZ-HNNXBMFYSA-N 0 1 282.391 2.724 20 30 CFEDMN N#Cc1ccc(O)c(NC(=O)[C@H]2CCCC23CC3)c1 ZINC000860445379 636886988 /nfs/dbraw/zinc/88/69/88/636886988.db2.gz RRGALZSGLDNNNP-LLVKDONJSA-N 0 1 256.305 2.783 20 30 CFEDMN N#CC(C(=O)Nc1ccc(Cl)cc1)C(=O)C12CC(C1)C2 ZINC000860467322 636892152 /nfs/dbraw/zinc/89/21/52/636892152.db2.gz JFPZKMRLBBJXEQ-YAKODHLKSA-N 0 1 288.734 2.787 20 30 CFEDMN C=CCNC(=O)C(C#N)C(=O)CC(C1CCC1)C1CCC1 ZINC000860470912 636892683 /nfs/dbraw/zinc/89/26/83/636892683.db2.gz AMBLXUGSUVBPJU-OAHLLOKOSA-N 0 1 288.391 2.604 20 30 CFEDMN CCCC[C@H](CC)CC(=O)[C@@H](C#N)C(=O)NC(C)C ZINC000117532469 636896438 /nfs/dbraw/zinc/89/64/38/636896438.db2.gz RCKUHXKPMQPLPZ-QWHCGFSZSA-N 0 1 266.385 2.826 20 30 CFEDMN Cc1ccnn1CC(=O)C(C#N)c1nc(C(C)C)cs1 ZINC000860582512 636918356 /nfs/dbraw/zinc/91/83/56/636918356.db2.gz XTNMGBAFOHJUGD-LLVKDONJSA-N 0 1 288.376 2.648 20 30 CFEDMN C#CC[C@@H]1CCN(Cc2nc3c(s2)CCCC3)C1 ZINC000862445126 637385262 /nfs/dbraw/zinc/38/52/62/637385262.db2.gz MIIJJUKUDOMBLH-GFCCVEGCSA-N 0 1 260.406 2.867 20 30 CFEDMN C#CC[C@@H]1CCN(Cc2cncc(Br)c2)C1 ZINC000862444650 637385370 /nfs/dbraw/zinc/38/53/70/637385370.db2.gz FAWFQJACMRBZJN-LLVKDONJSA-N 0 1 279.181 2.689 20 30 CFEDMN C#CC[C@H]1CCN(Cc2ccc(Br)o2)C1 ZINC000862445670 637387869 /nfs/dbraw/zinc/38/78/69/637387869.db2.gz ZFKPBCINDFTTBO-JTQLQIEISA-N 0 1 268.154 2.887 20 30 CFEDMN C#CC[C@@H]1CCN(C(=O)c2cnc(-c3ccccc3)[nH]2)C1 ZINC000862567158 637433278 /nfs/dbraw/zinc/43/32/78/637433278.db2.gz AAOHQVGOWARHKY-CYBMUJFWSA-N 0 1 279.343 2.562 20 30 CFEDMN Cc1c(C=NNc2nccnc2C(C)C)ccnc1F ZINC000863110459 637558697 /nfs/dbraw/zinc/55/86/97/637558697.db2.gz SEFVGPWDBSJMMD-UHFFFAOYSA-N 0 1 273.315 2.889 20 30 CFEDMN Cc1cnccc1NN=Cc1cnc(C2CCC2)s1 ZINC000863157492 637571609 /nfs/dbraw/zinc/57/16/09/637571609.db2.gz NHRZOYJUXZSCFO-UHFFFAOYSA-N 0 1 272.377 2.982 20 30 CFEDMN Cc1cnccc1NN=C1CCCOc2cc(F)ccc21 ZINC000863158019 637571743 /nfs/dbraw/zinc/57/17/43/637571743.db2.gz MDYVWAASIICJHQ-UHFFFAOYSA-N 0 1 285.322 2.940 20 30 CFEDMN C#CC[C@H]1CCCN(CN2C[C@H](c3ccccc3)OC2=O)C1 ZINC000863268754 637610639 /nfs/dbraw/zinc/61/06/39/637610639.db2.gz ISWLPEUWRRKTFK-DOTOQJQBSA-N 0 1 298.386 2.873 20 30 CFEDMN C[C@@H](C#N)Oc1ccc(CN2C[C@H](C)OC(C)(C)C2)cc1 ZINC000119516362 637683873 /nfs/dbraw/zinc/68/38/73/637683873.db2.gz XWSLWEIXHDBWDX-KBPBESRZSA-N 0 1 288.391 2.977 20 30 CFEDMN N#CC1(CNC[C@@H](O)c2cccc(F)c2)CCCCC1 ZINC000863575584 637700080 /nfs/dbraw/zinc/70/00/80/637700080.db2.gz IWCGGSXTVUMYTJ-OAHLLOKOSA-N 0 1 276.355 2.923 20 30 CFEDMN Cn1c2ccccc2nc1C(C#N)C(=O)C[C@@H]1CCCCO1 ZINC000119833794 637852655 /nfs/dbraw/zinc/85/26/55/637852655.db2.gz DFMJSUKNTMEYBK-STQMWFEESA-N 0 1 297.358 2.709 20 30 CFEDMN C#CCOc1ccc(CN[C@H](C)c2ccncc2OC)cc1 ZINC000189572073 650390206 /nfs/dbraw/zinc/39/02/06/650390206.db2.gz FFYRQRUOGJJZSY-CQSZACIVSA-N 0 1 296.370 2.953 20 30 CFEDMN C#CCOc1ccccc1CNc1ccc2nn[nH]c2c1 ZINC000120478947 638249361 /nfs/dbraw/zinc/24/93/61/638249361.db2.gz ASQLBFMGGYSFES-UHFFFAOYSA-N 0 1 278.315 2.582 20 30 CFEDMN C#CCOc1ccccc1CNc1ccc2n[nH]nc2c1 ZINC000120478947 638249366 /nfs/dbraw/zinc/24/93/66/638249366.db2.gz ASQLBFMGGYSFES-UHFFFAOYSA-N 0 1 278.315 2.582 20 30 CFEDMN CN(C)c1ccc(C#N)cc1CNc1nccn1C1CC1 ZINC000865293378 638260398 /nfs/dbraw/zinc/26/03/98/638260398.db2.gz IHGJHICYTOXOHT-UHFFFAOYSA-N 0 1 281.363 2.768 20 30 CFEDMN CC(C)Cn1nccc1CNc1nc2ccc(C#N)cc2[nH]1 ZINC000865296093 638262524 /nfs/dbraw/zinc/26/25/24/638262524.db2.gz QEPLGDBEDXXFQG-UHFFFAOYSA-N 0 1 294.362 2.899 20 30 CFEDMN C#CCN(CCC(=O)CC)[C@H]1CCc2ccccc21 ZINC000190198070 650418803 /nfs/dbraw/zinc/41/88/03/650418803.db2.gz METVVFIBHHXSFD-KRWDZBQOSA-N 0 1 255.361 2.978 20 30 CFEDMN Cc1nc([C@H](C)Nc2cc(C(F)(F)F)cc(C#N)n2)n[nH]1 ZINC000865804409 638580506 /nfs/dbraw/zinc/58/05/06/638580506.db2.gz XRXPXQLIRFVAOY-LURJTMIESA-N 0 1 296.256 2.572 20 30 CFEDMN C[C@H]([NH2+]C1CCN(C2CCC2)CC1)c1cccc(C#N)c1[O-] ZINC000866250008 638779839 /nfs/dbraw/zinc/77/98/39/638779839.db2.gz SAIIBWZIQPCUQB-ZDUSSCGKSA-N 0 1 299.418 2.931 20 30 CFEDMN Cc1cc([C@H](C)N[C@H]2Cc3ccc(C#N)cc3C2)no1 ZINC000866617806 638856042 /nfs/dbraw/zinc/85/60/42/638856042.db2.gz PTNBAMACYYROAV-NHYWBVRUSA-N 0 1 267.332 2.673 20 30 CFEDMN C=C[C@H](C)ONC(=O)[C@@H]1Cc2ccc(Cl)cc21 ZINC000869154502 639050316 /nfs/dbraw/zinc/05/03/16/639050316.db2.gz UAQZWDMAZIKDSD-QPUJVOFHSA-N 0 1 251.713 2.602 20 30 CFEDMN Cc1cccc(NC(=O)C(C#N)C(=O)[C@@H]2C[C@@H]2[C@H]2C[C@H]2C)c1 ZINC000870136552 639527294 /nfs/dbraw/zinc/52/72/94/639527294.db2.gz LJWWESZSWMYUPJ-DPZJBDQQSA-N 0 1 296.370 2.935 20 30 CFEDMN CCCCCCCN[C@@H](C)c1nnnn1C1CC1 ZINC000191462874 650503336 /nfs/dbraw/zinc/50/33/36/650503336.db2.gz ONQVGKIHMKEHNX-NSHDSACASA-N 0 1 251.378 2.629 20 30 CFEDMN Cc1cccc2nc([C@H](C#N)C(=O)[C@@H]3C[C@@H](C)O[C@@H]3C)[nH]c21 ZINC000870207723 639544687 /nfs/dbraw/zinc/54/46/87/639544687.db2.gz OAZVSIXXDXGFPY-FDYHWXHSSA-N 0 1 297.358 2.861 20 30 CFEDMN C[C@@H]1CCC[C@@]1(C)C(=O)NOc1cccc(C#N)c1 ZINC000870689742 639772485 /nfs/dbraw/zinc/77/24/85/639772485.db2.gz AURYCSNTINSYIM-IAQYHMDHSA-N 0 1 258.321 2.795 20 30 CFEDMN CC(C)(C)/C=C/C(=O)Nc1nc2ccc(C#N)cc2[nH]1 ZINC000871070544 641184690 /nfs/dbraw/zinc/18/46/90/641184690.db2.gz MAGNDKJZAXSUQA-VOTSOKGWSA-N 0 1 268.320 2.975 20 30 CFEDMN N#Cc1ccc2nc(NC(=O)C3CCCCC3)[nH]c2c1 ZINC000871071050 641185237 /nfs/dbraw/zinc/18/52/37/641185237.db2.gz QHOXTPBQQWZFGA-UHFFFAOYSA-N 0 1 268.320 2.953 20 30 CFEDMN CC[C@@H](C)CC(=O)Nc1nc2ccc(C#N)cc2[nH]1 ZINC000871073224 641186022 /nfs/dbraw/zinc/18/60/22/641186022.db2.gz UEGBVCCYXJKLTN-SECBINFHSA-N 0 1 256.309 2.809 20 30 CFEDMN C=C[C@@](C)(CCOC)C(=O)Nc1nc2ccc(C#N)cc2[nH]1 ZINC000871072408 641186870 /nfs/dbraw/zinc/18/68/70/641186870.db2.gz LETIMPRUDUKAAL-INIZCTEOSA-N 0 1 298.346 2.602 20 30 CFEDMN CC1(C(=O)Nc2nc3ccc(C#N)cc3[nH]2)CCC1 ZINC000871073073 641187107 /nfs/dbraw/zinc/18/71/07/641187107.db2.gz RQUDQNLGRAHPMW-UHFFFAOYSA-N 0 1 254.293 2.563 20 30 CFEDMN CCC1(C(=O)Nc2nc3ccc(C#N)cc3[nH]2)CCOCC1 ZINC000871072993 641187219 /nfs/dbraw/zinc/18/72/19/641187219.db2.gz QBTVWPBSLCELSS-UHFFFAOYSA-N 0 1 298.346 2.580 20 30 CFEDMN C=CCC(C)(C)C(=O)Nc1nc2ccc(C#N)cc2[nH]1 ZINC000871073267 641187773 /nfs/dbraw/zinc/18/77/73/641187773.db2.gz VQOJVHWGARVPQV-UHFFFAOYSA-N 0 1 268.320 2.975 20 30 CFEDMN CCCCn1c(=O)[nH]nc1SCc1ccc(C#N)o1 ZINC000871638985 641378075 /nfs/dbraw/zinc/37/80/75/641378075.db2.gz SHCYIMIWGYVYEO-UHFFFAOYSA-N 0 1 278.337 2.541 20 30 CFEDMN C=C(C)COCCN[C@@H](C)c1cc(O)ccc1F ZINC000872049504 641584161 /nfs/dbraw/zinc/58/41/61/641584161.db2.gz UETMHWVCFAMDIT-NSHDSACASA-N 0 1 253.317 2.775 20 30 CFEDMN N#C[C@H]1CC[C@H](NCc2nc(-c3ccncc3)cs2)C1 ZINC000872120669 641650080 /nfs/dbraw/zinc/65/00/80/641650080.db2.gz FJMJIUACDPQIDJ-AAEUAGOBSA-N 0 1 284.388 2.987 20 30 CFEDMN Cc1scc(C=NNC2=N[C@H]3CCCC[C@@H]3N2)c1C ZINC000872359766 641767321 /nfs/dbraw/zinc/76/73/21/641767321.db2.gz OQVGXDCGFAWWFX-STQMWFEESA-N 0 1 276.409 2.559 20 30 CFEDMN C[C@H]1CCCCN1N=Cc1cc(C#N)ccc1N(C)C ZINC000872388354 641787238 /nfs/dbraw/zinc/78/72/38/641787238.db2.gz GCBNFWHMPJHIDC-ZDUSSCGKSA-N 0 1 270.380 2.833 20 30 CFEDMN C=CCCCN(C)CN1CCC2(CCCC2)C1=O ZINC000872580416 641864959 /nfs/dbraw/zinc/86/49/59/641864959.db2.gz SSGPGLSHSITFGL-UHFFFAOYSA-N 0 1 250.386 2.635 20 30 CFEDMN C=CCCN(C)CN1C[C@@H](Cc2ccccc2)CC1=O ZINC000872599362 641871273 /nfs/dbraw/zinc/87/12/73/641871273.db2.gz NHXYQFODZBLXHO-INIZCTEOSA-N 0 1 272.392 2.543 20 30 CFEDMN C=CC(C)(C)CCCNC(=O)N[C@H]1CCc2nc[nH]c2C1 ZINC000873018034 641986519 /nfs/dbraw/zinc/98/65/19/641986519.db2.gz OSXJTDJNKVPMJY-LBPRGKRZSA-N 0 1 290.411 2.559 20 30 CFEDMN C=CC(C)(C)CCCNC(=O)N(C)Cc1cnc[nH]1 ZINC000873114117 642016113 /nfs/dbraw/zinc/01/61/13/642016113.db2.gz VLRALHIOVOVKNK-UHFFFAOYSA-N 0 1 264.373 2.544 20 30 CFEDMN N#Cc1c(F)cccc1CNCCC1SCCS1 ZINC000873138165 642027683 /nfs/dbraw/zinc/02/76/83/642027683.db2.gz BYCBSGWOUJFFNL-UHFFFAOYSA-N 0 1 282.409 2.983 20 30 CFEDMN C=CC(C)(C)CCCNCc1nn(CC)nc1C ZINC000873152013 642032329 /nfs/dbraw/zinc/03/23/29/642032329.db2.gz VYZOADUYKKYTGJ-UHFFFAOYSA-N 0 1 250.390 2.688 20 30 CFEDMN C#Cc1cccc(N(CC)C(=O)[C@@H]2CCCCN2C)c1 ZINC000874342979 642371162 /nfs/dbraw/zinc/37/11/62/642371162.db2.gz QDHSJJZKXMGOIY-INIZCTEOSA-N 0 1 270.376 2.505 20 30 CFEDMN C#CCN1CCC(C(=O)N2CCCC2(CC)CC)CC1 ZINC000874628304 642431344 /nfs/dbraw/zinc/43/13/44/642431344.db2.gz ORCCVPUVADIFAZ-UHFFFAOYSA-N 0 1 276.424 2.513 20 30 CFEDMN CC(C)[C@H](C#N)NC(=O)C(F)(F)c1cc(F)cc(F)c1 ZINC000875518978 642633916 /nfs/dbraw/zinc/63/39/16/642633916.db2.gz VCRDLHUOFBVGKZ-NSHDSACASA-N 0 1 288.244 2.721 20 30 CFEDMN CCCCCCCNC(=O)N[C@@H](C)c1n[nH]c(CC)n1 ZINC000875764687 642682386 /nfs/dbraw/zinc/68/23/86/642682386.db2.gz NZKRJYLOEOHNGJ-NSHDSACASA-N 0 1 281.404 2.698 20 30 CFEDMN C#CCN1CCC(C(=O)N(CCCC)c2cccnc2)CC1 ZINC000875883062 642706706 /nfs/dbraw/zinc/70/67/06/642706706.db2.gz MYIKSCCQGHPDPS-UHFFFAOYSA-N 0 1 299.418 2.560 20 30 CFEDMN C#CCN(Cc1cc(C(=O)OCC)no1)C1CCCCC1 ZINC000876643189 642956683 /nfs/dbraw/zinc/95/66/83/642956683.db2.gz WFAMOROELROHKS-UHFFFAOYSA-N 0 1 290.363 2.619 20 30 CFEDMN C[C@H](CCC#N)CNc1ccccc1N1CCN(C)CC1 ZINC000876831596 643031417 /nfs/dbraw/zinc/03/14/17/643031417.db2.gz HUHWVVXBPXWNDS-OAHLLOKOSA-N 0 1 286.423 2.790 20 30 CFEDMN N#Cc1ccc(O)c(NC(=O)Cc2ccc(F)cc2F)c1 ZINC000088401197 650812002 /nfs/dbraw/zinc/81/20/02/650812002.db2.gz CUSHNFSYTAQTDG-UHFFFAOYSA-N 0 1 288.253 2.723 20 30 CFEDMN C=C1CCN(C(=O)[C@@H](N)c2cccc(C(F)(F)F)c2)CC1 ZINC000876943989 643074463 /nfs/dbraw/zinc/07/44/63/643074463.db2.gz KVHUZLZAXQDAJQ-ZDUSSCGKSA-N 0 1 298.308 2.884 20 30 CFEDMN CCCN(CC(C)C)C(=O)[C@@H]1NCCc2cc(C#N)ccc21 ZINC000877031710 643111060 /nfs/dbraw/zinc/11/10/60/643111060.db2.gz TXWAUJWXCMZHCN-QGZVFWFLSA-N 0 1 299.418 2.640 20 30 CFEDMN C#CCCCCCCNCc1n[nH]cc1Br ZINC000877058309 643125420 /nfs/dbraw/zinc/12/54/20/643125420.db2.gz YNAGUYCIUFOFSB-UHFFFAOYSA-N 0 1 284.201 2.846 20 30 CFEDMN CC(C)OCC(C)(C)NCc1cc(C#N)cnc1Cl ZINC000877590132 643383594 /nfs/dbraw/zinc/38/35/94/643383594.db2.gz RHSZTVUMPYVHNN-UHFFFAOYSA-N 0 1 281.787 2.900 20 30 CFEDMN CCCOc1ccc(CN2CC[C@](O)(CC#N)C2)cc1C ZINC000877606262 643393679 /nfs/dbraw/zinc/39/36/79/643393679.db2.gz VHZFBFDZAAUJEJ-QGZVFWFLSA-N 0 1 288.391 2.634 20 30 CFEDMN C#CC1CCN(Cc2cc(OC)c(O)cc2Cl)CC1 ZINC000877607098 643394650 /nfs/dbraw/zinc/39/46/50/643394650.db2.gz WWGOUAQIZWKDGX-UHFFFAOYSA-N 0 1 279.767 2.899 20 30 CFEDMN C#C[C@H]1CCC[N@H+](Cc2ccc(F)c(F)c2[O-])C1 ZINC000877616563 643402654 /nfs/dbraw/zinc/40/26/54/643402654.db2.gz DXHTZQGBJDPSSX-JTQLQIEISA-N 0 1 251.276 2.516 20 30 CFEDMN CN(C)c1ccc(C#N)cc1CN1CCC[C@H](CC#N)C1 ZINC000877622264 643409443 /nfs/dbraw/zinc/40/94/43/643409443.db2.gz JSKRBOSXYDXVDW-CQSZACIVSA-N 0 1 282.391 2.750 20 30 CFEDMN C#C[C@H](NCc1c(F)cccc1OCC)C1CCOCC1 ZINC000877636641 643420107 /nfs/dbraw/zinc/42/01/07/643420107.db2.gz ACPVMZNVXFZABW-INIZCTEOSA-N 0 1 291.366 2.742 20 30 CFEDMN C#CCCN(CCOC)Cc1cnc2c(F)cccc2c1 ZINC000877641552 643425300 /nfs/dbraw/zinc/42/53/00/643425300.db2.gz YKWIFIHPIGDHEO-UHFFFAOYSA-N 0 1 286.350 2.846 20 30 CFEDMN C#CC[C@H]1CCN(Cc2cccnc2Br)C1 ZINC000877649996 643430352 /nfs/dbraw/zinc/43/03/52/643430352.db2.gz BWELFJXPEYYJBR-NSHDSACASA-N 0 1 279.181 2.689 20 30 CFEDMN COc1ncccc1CN(C)CCc1cccc(C#N)c1 ZINC000877704703 643470495 /nfs/dbraw/zinc/47/04/95/643470495.db2.gz MJPLKMNGPNEXPO-UHFFFAOYSA-N 0 1 281.359 2.636 20 30 CFEDMN CC(C)NC(=O)C(C#N)C(=O)[C@@H]1CC[C@H]2CCCC[C@@H]2C1 ZINC000245893833 650842184 /nfs/dbraw/zinc/84/21/84/650842184.db2.gz JWLFYJUEZQWKDV-KBUPBQIOSA-N 0 1 290.407 2.826 20 30 CFEDMN CC[N@@H+](CC[C@@](C#N)(C(C)=O)c1ccccc1)C1CC1 ZINC000877953698 643660721 /nfs/dbraw/zinc/66/07/21/643660721.db2.gz BHZFDQPCCAOFAO-QGZVFWFLSA-N 0 1 270.376 2.911 20 30 CFEDMN C#CCCCCCN1CCN(C(=O)C2CCCCC2)CC1 ZINC000877998229 643686507 /nfs/dbraw/zinc/68/65/07/643686507.db2.gz MLLYUGQLMWEQDB-UHFFFAOYSA-N 0 1 290.451 2.905 20 30 CFEDMN C=C(C)CN(CC)C(=O)[C@H]1c2cn[nH]c2CC[C@H]1C ZINC000878007170 643691335 /nfs/dbraw/zinc/69/13/35/643691335.db2.gz NQBFBZKHWQBZFL-BXUZGUMPSA-N 0 1 261.369 2.500 20 30 CFEDMN C[C@H]1CCc2[nH]ncc2[C@H]1C(=O)Nc1ccc(CC#N)cc1 ZINC000878072694 643721928 /nfs/dbraw/zinc/72/19/28/643721928.db2.gz JKUQGQDITHOPFJ-ZBEGNZNMSA-N 0 1 294.358 2.780 20 30 CFEDMN C=CC1CCN(Cc2nnc(-c3cccc(O)c3)o2)CC1 ZINC000878093949 643732171 /nfs/dbraw/zinc/73/21/71/643732171.db2.gz MMGPJTIDJDSBAE-UHFFFAOYSA-N 0 1 285.347 2.840 20 30 CFEDMN C=CC[C@@H](C)N1CCN(c2oc(C3CC3)nc2C#N)CC1 ZINC000878209568 643794192 /nfs/dbraw/zinc/79/41/92/643794192.db2.gz HNDROHVJWCURFE-GFCCVEGCSA-N 0 1 286.379 2.510 20 30 CFEDMN C[C@@H]1CCC[C@H](C(=O)C(C#N)C(=O)Nc2ccccn2)C1 ZINC000246536554 650872801 /nfs/dbraw/zinc/87/28/01/650872801.db2.gz JIMOYVMEDPOZLI-AGIUHOORSA-N 0 1 285.347 2.555 20 30 CFEDMN C#C[C@H](NCc1cnc(OC)c2ccccc12)[C@H]1CCCO1 ZINC000878453692 643901744 /nfs/dbraw/zinc/90/17/44/643901744.db2.gz MSETUUJZTCQFIH-DLBZAZTESA-N 0 1 296.370 2.514 20 30 CFEDMN C#CCCCCCN([C@H](C)C(=O)OC)C1CCC1 ZINC000878502025 643918875 /nfs/dbraw/zinc/91/88/75/643918875.db2.gz YKPKITUMTRHKBG-CYBMUJFWSA-N 0 1 251.370 2.596 20 30 CFEDMN C#CCCCCCN1CCSC[C@@H]1c1cnn(C)c1 ZINC000878502906 643919443 /nfs/dbraw/zinc/91/94/43/643919443.db2.gz JUQSEZNEZJHFRW-OAHLLOKOSA-N 0 1 277.437 2.704 20 30 CFEDMN Cc1ccc(C#N)cc1NC(=O)[C@H]1c2cn[nH]c2CC[C@H]1C ZINC000878524990 643927296 /nfs/dbraw/zinc/92/72/96/643927296.db2.gz JOOBCEPJMFWODW-BDJLRTHQSA-N 0 1 294.358 2.894 20 30 CFEDMN C=CC[C@@H](C)N1CCN(c2ccsc2C#N)CC1 ZINC000878888295 644062415 /nfs/dbraw/zinc/06/24/15/644062415.db2.gz MIMXYAJNAJBFTC-GFCCVEGCSA-N 0 1 261.394 2.706 20 30 CFEDMN CCCCCC[C@H](O)CN(C)[C@H]1CCC[C@@H]1C#N ZINC000879309232 644217214 /nfs/dbraw/zinc/21/72/14/644217214.db2.gz MQENZSQQGBLHNC-ILXRZTDVSA-N 0 1 252.402 2.942 20 30 CFEDMN COc1cc(C#N)ccc1C[N@H+]1C[C@@H](OC)CC[C@@H]1C ZINC000879323297 644229838 /nfs/dbraw/zinc/22/98/38/644229838.db2.gz YSEJFVOOYYGACT-WFASDCNBSA-N 0 1 274.364 2.566 20 30 CFEDMN COc1cc(C#N)ccc1CN1C[C@@H](OC)CC[C@@H]1C ZINC000879323297 644229847 /nfs/dbraw/zinc/22/98/47/644229847.db2.gz YSEJFVOOYYGACT-WFASDCNBSA-N 0 1 274.364 2.566 20 30 CFEDMN C#CCCC[NH+]1CCN(Cc2ccc([O-])c(Cl)c2)CC1 ZINC000879448278 644275660 /nfs/dbraw/zinc/27/56/60/644275660.db2.gz YVPPOESIQNOPMG-UHFFFAOYSA-N 0 1 292.810 2.577 20 30 CFEDMN CC(C)CC(=O)N1CCCN(CCC(C)(C)C#N)CC1 ZINC000879760953 644416225 /nfs/dbraw/zinc/41/62/25/644416225.db2.gz QGCYOKIPEZEZSE-UHFFFAOYSA-N 0 1 279.428 2.507 20 30 CFEDMN C[C@@H](CCC#N)N1CC[C@H](C(F)(F)F)O[C@H](C)C1 ZINC000880062311 644518610 /nfs/dbraw/zinc/51/86/10/644518610.db2.gz LBBALVIUZBSVBE-HBNTYKKESA-N 0 1 264.291 2.720 20 30 CFEDMN Cc1cc(C#N)cc(NC(=O)[C@@H]2c3cn[nH]c3CC[C@H]2C)c1 ZINC000880245068 644608806 /nfs/dbraw/zinc/60/88/06/644608806.db2.gz HGWUQCUMHIYQPP-BZNIZROVSA-N 0 1 294.358 2.894 20 30 CFEDMN C[C@@H](c1ccccc1)N1CCN(C[C@H](C#N)CCC#N)CC1 ZINC000880249920 644612837 /nfs/dbraw/zinc/61/28/37/644612837.db2.gz YUSGZRDEPWLZDI-IRXDYDNUSA-N 0 1 296.418 2.809 20 30 CFEDMN COC(=O)c1ccc2c(c1)CCN([C@@H]1CC[C@H](C#N)C1)C2 ZINC000880351318 644663512 /nfs/dbraw/zinc/66/35/12/644663512.db2.gz QPIGQBCTNTUXQZ-BLLLJJGKSA-N 0 1 284.359 2.524 20 30 CFEDMN CC(C)(C#N)CCCNC1(c2ncccn2)CCC1 ZINC000880365872 644669421 /nfs/dbraw/zinc/66/94/21/644669421.db2.gz UMSNFBBZNPWJMH-UHFFFAOYSA-N 0 1 258.369 2.775 20 30 CFEDMN C#C[C@H](NC(=O)[C@H]1c2cn[nH]c2CC[C@H]1C)c1ccccc1 ZINC000880402656 644688842 /nfs/dbraw/zinc/68/88/42/644688842.db2.gz BLKTXVQYOWPBRC-ISTRZQFTSA-N 0 1 293.370 2.566 20 30 CFEDMN C#CCC1(O)CCN([C@H](C)c2nc3ccccc3o2)CC1 ZINC000880481215 644731218 /nfs/dbraw/zinc/73/12/18/644731218.db2.gz ORRRAYJARLPEIU-CYBMUJFWSA-N 0 1 284.359 2.739 20 30 CFEDMN C=CC(C)(C)CC(=O)NC[C@H]1CCN1Cc1ccccc1 ZINC000880768530 644833424 /nfs/dbraw/zinc/83/34/24/644833424.db2.gz SXFKXIYRMQOOAH-MRXNPFEDSA-N 0 1 286.419 2.979 20 30 CFEDMN CN(Cc1cn(Cc2ccc(C#N)o2)nn1)C1CCCCC1 ZINC000881302794 644946972 /nfs/dbraw/zinc/94/69/72/644946972.db2.gz JGSFYMXUDOLYJW-UHFFFAOYSA-N 0 1 299.378 2.556 20 30 CFEDMN C#CC1(NC(=O)c2ccc(O)c(Cl)c2)CCCC1 ZINC000882537476 645359228 /nfs/dbraw/zinc/35/92/28/645359228.db2.gz KELOQQZHZHIYID-UHFFFAOYSA-N 0 1 263.724 2.721 20 30 CFEDMN C=CCC[C@@H](COc1ccccc1)NCc1nccn1C ZINC000883185034 645648113 /nfs/dbraw/zinc/64/81/13/645648113.db2.gz MQBFECYKFXWCEN-HNNXBMFYSA-N 0 1 285.391 2.924 20 30 CFEDMN C=CCC[C@H](NCc1ncccc1F)[C@H]1CCCO1 ZINC000883207851 645664978 /nfs/dbraw/zinc/66/49/78/645664978.db2.gz UKCNJBJHNAWYLQ-DZGCQCFKSA-N 0 1 264.344 2.824 20 30 CFEDMN C=CCC[C@@H](NCc1ncnn1C(C)(C)C)[C@H]1CCCO1 ZINC000883220194 645672708 /nfs/dbraw/zinc/67/27/08/645672708.db2.gz GBPXLKLYSBITRR-ZIAGYGMSSA-N 0 1 292.427 2.637 20 30 CFEDMN C=CCC[C@@H](NCc1csc(COC)n1)[C@@H]1CCCO1 ZINC000883222988 645674137 /nfs/dbraw/zinc/67/41/37/645674137.db2.gz FWJFYFOUZJPIDT-KGLIPLIRSA-N 0 1 296.436 2.893 20 30 CFEDMN C=C(C)C[C@H](CO)N[C@@H](C)c1nc2c(s1)CCCC2 ZINC000883390722 645789593 /nfs/dbraw/zinc/78/95/93/645789593.db2.gz SCNRIEQPFGHHIR-NWDGAFQWSA-N 0 1 280.437 3.000 20 30 CFEDMN C=C(C)C[C@@H](CO)NCc1ccc(F)c(F)c1F ZINC000883399129 645795018 /nfs/dbraw/zinc/79/50/18/645795018.db2.gz FLNPYJQTIFYFQC-JTQLQIEISA-N 0 1 259.271 2.521 20 30 CFEDMN CC(C)Oc1cccc(C(=O)Nc2cc(C#N)ccc2O)n1 ZINC000134081122 646279214 /nfs/dbraw/zinc/27/92/14/646279214.db2.gz ZSKBGSWTQDRRJQ-UHFFFAOYSA-N 0 1 297.314 2.698 20 30 CFEDMN C=CC(C)(C)CC(=O)N1CCNC[C@H]1c1ccccc1 ZINC000884341004 646314583 /nfs/dbraw/zinc/31/45/83/646314583.db2.gz RBKUEEQCCAWCPL-HNNXBMFYSA-N 0 1 272.392 2.762 20 30 CFEDMN CC(=[NH+][N-]c1ccc(C)nn1)c1c(C)cc(N)cc1C ZINC000884428746 646352430 /nfs/dbraw/zinc/35/24/30/646352430.db2.gz LRTOGLVMYQROPF-UHFFFAOYSA-N 0 1 269.352 2.820 20 30 CFEDMN Oc1ccc(C=NO[C@H]2CCCCO2)c(F)c1F ZINC000884442719 646360805 /nfs/dbraw/zinc/36/08/05/646360805.db2.gz OIGXXZJIYZEFKM-JTQLQIEISA-N 0 1 257.236 2.548 20 30 CFEDMN C=CCC1(O)CC[NH+](Cc2c([O-])ccc3ccncc32)CC1 ZINC000884478822 646387128 /nfs/dbraw/zinc/38/71/28/646387128.db2.gz NICUFGWCMSEDAE-UHFFFAOYSA-N 0 1 298.386 2.843 20 30 CFEDMN C=CC(C)(C)CC(=O)OCc1cc(O)ccc1[N+](=O)[O-] ZINC000884649105 646507618 /nfs/dbraw/zinc/50/76/18/646507618.db2.gz SRVIDQPKXHFWIN-UHFFFAOYSA-N 0 1 279.292 2.946 20 30 CFEDMN Cc1nc(C2CCN(c3cc(C)ncc3C#N)CC2)[nH]c1C ZINC000884706343 646534427 /nfs/dbraw/zinc/53/44/27/646534427.db2.gz ZRZLLVVBEHMUHR-UHFFFAOYSA-N 0 1 295.390 2.986 20 30 CFEDMN C=CCn1ncc2ccc(NC(=O)[C@H](CC)N(C)C)cc21 ZINC000885572535 646709399 /nfs/dbraw/zinc/70/93/99/646709399.db2.gz KURFIIOUVZNNCM-AWEZNQCLSA-N 0 1 286.379 2.501 20 30 CFEDMN N#CC1(C[C@@H](O)C[N@H+]2CCC[C@H](C(F)(F)F)C2)CCC1 ZINC000885930689 646772097 /nfs/dbraw/zinc/77/20/97/646772097.db2.gz DUZFGQPPBQXOIM-NWDGAFQWSA-N 0 1 290.329 2.706 20 30 CFEDMN N#CC1(C[C@H](O)CN2CC=C(C(F)(F)F)CC2)CCC1 ZINC000886085540 646859447 /nfs/dbraw/zinc/85/94/47/646859447.db2.gz AELVAQFSKLPBJS-LBPRGKRZSA-N 0 1 288.313 2.626 20 30 CFEDMN N#CC(C(=O)NC1CCCC1)C(=O)C1CCC(F)(F)CC1 ZINC000136879307 646869662 /nfs/dbraw/zinc/86/96/62/646869662.db2.gz WCZQGFOORWXYCP-GFCCVEGCSA-N 0 1 298.333 2.580 20 30 CFEDMN C#CCN1CCC[C@H](NCc2coc(-c3ccccc3)n2)C1 ZINC000886213156 646923703 /nfs/dbraw/zinc/92/37/03/646923703.db2.gz NFBJQYLDFFJFLJ-INIZCTEOSA-N 0 1 295.386 2.529 20 30 CFEDMN CC1(C)CN(C[C@H](O)CC2(C#N)CCC2)[C@H]1c1cccnc1 ZINC000886289606 646956514 /nfs/dbraw/zinc/95/65/14/646956514.db2.gz ZEIRAUDYYKNHNT-CVEARBPZSA-N 0 1 299.418 2.909 20 30 CFEDMN C#CC[C@@H]1CCN([C@@H](C)c2nc(CCCC)no2)C1 ZINC000886355239 646983873 /nfs/dbraw/zinc/98/38/73/646983873.db2.gz FEQRXDIJWDYNSX-QWHCGFSZSA-N 0 1 261.369 2.818 20 30 CFEDMN C#CC[C@@H]1CCN(CC(=O)Nc2cccc(Cl)c2)C1 ZINC000886356046 646984592 /nfs/dbraw/zinc/98/45/92/646984592.db2.gz SLKMICBRAKXWLL-GFCCVEGCSA-N 0 1 276.767 2.624 20 30 CFEDMN C#CC[C@@H]1CCN([C@H](C)C(=O)Nc2cc(F)ccc2C)C1 ZINC000886356333 646985121 /nfs/dbraw/zinc/98/51/21/646985121.db2.gz YCHNDBWJSQIVSO-ZIAGYGMSSA-N 0 1 288.366 2.806 20 30 CFEDMN C#CC[C@H]1CCN(Cc2c(F)cccc2[N+](=O)[O-])C1 ZINC000886358096 646985776 /nfs/dbraw/zinc/98/57/76/646985776.db2.gz PNFUOJOAWLYIPO-NSHDSACASA-N 0 1 262.284 2.579 20 30 CFEDMN C#CC[C@@H]1CCN(CC(=O)Nc2c(C)cc(C)cc2C)C1 ZINC000886360142 646987193 /nfs/dbraw/zinc/98/71/93/646987193.db2.gz QHLJJIXUOCYFNC-MRXNPFEDSA-N 0 1 284.403 2.896 20 30 CFEDMN C=CCN1CCN(CC=C)[C@@H](Cc2cccc(OC)c2)C1 ZINC000886384568 646994200 /nfs/dbraw/zinc/99/42/00/646994200.db2.gz XDIONFIEIWXIBJ-KRWDZBQOSA-N 0 1 286.419 2.596 20 30 CFEDMN C=CCn1cc2ccc(NC(=O)CN(CC)C3CC3)cc2n1 ZINC000886647694 647087130 /nfs/dbraw/zinc/08/71/30/647087130.db2.gz YRROLLKCHSPAOS-UHFFFAOYSA-N 0 1 298.390 2.645 20 30 CFEDMN C=CCC1(O)CCN(Cc2cc(OC)ccc2OC)CC1 ZINC000886759315 647128161 /nfs/dbraw/zinc/12/81/61/647128161.db2.gz BICPYCONNKHVBA-UHFFFAOYSA-N 0 1 291.391 2.607 20 30 CFEDMN C#CCC1(NCc2csc([C@@H](C)OC)n2)CCOCC1 ZINC000887124633 647219787 /nfs/dbraw/zinc/21/97/87/647219787.db2.gz MMXLNBQUFMLKRY-GFCCVEGCSA-N 0 1 294.420 2.513 20 30 CFEDMN C[C@H](C(=O)N(C)C1(C#N)CCC(C)CC1)N(C)CCCF ZINC000887139923 647228315 /nfs/dbraw/zinc/22/83/15/647228315.db2.gz JRLQILDIFGNSJT-NPCAHTBFSA-N 0 1 297.418 2.597 20 30 CFEDMN C[C@H](C#N)OCCN1Cc2ccccc2OC2(CCC2)C1 ZINC000887149751 647232409 /nfs/dbraw/zinc/23/24/09/647232409.db2.gz IWWYASYIXWESFZ-CQSZACIVSA-N 0 1 286.375 2.732 20 30 CFEDMN CC[C@H]([NH2+]C[C@@H]1CCCN(C)C1)c1cccc(C#N)c1[O-] ZINC000925011921 648088132 /nfs/dbraw/zinc/08/81/32/648088132.db2.gz SUQTZTUGCXFGNX-BBRMVZONSA-N 0 1 287.407 2.646 20 30 CFEDMN C=CCSCCN[C@@H]1CCCc2oc(C)nc21 ZINC000925350995 648158039 /nfs/dbraw/zinc/15/80/39/648158039.db2.gz KBARTFXTCOQCGJ-LLVKDONJSA-N 0 1 252.383 2.869 20 30 CFEDMN C[C@H](c1cccc(C#N)c1)N1CCc2sc(CN)nc2C1 ZINC000925747469 648307785 /nfs/dbraw/zinc/30/77/85/648307785.db2.gz INEMKHVEYBQZRG-LLVKDONJSA-N 0 1 298.415 2.593 20 30 CFEDMN C=CCCCCCCN[C@@H](C)c1cc(CO)on1 ZINC000926423610 648482939 /nfs/dbraw/zinc/48/29/39/648482939.db2.gz QPQPPNPCQWFNNF-LBPRGKRZSA-N 0 1 252.358 2.954 20 30 CFEDMN C=CCOCCCN[C@H]1CCCc2oc(C)nc21 ZINC000926704712 648583104 /nfs/dbraw/zinc/58/31/04/648583104.db2.gz OBPAPMWTDJLGPJ-LBPRGKRZSA-N 0 1 250.342 2.543 20 30 CFEDMN C[C@@H](NCC1(C#N)CCCCC1)c1cc[nH]c(=O)c1 ZINC000926709513 648584981 /nfs/dbraw/zinc/58/49/81/648584981.db2.gz CHTAUWMUBXIMBJ-GFCCVEGCSA-N 0 1 259.353 2.912 20 30 CFEDMN CC(C)[C@@H](N[C@@H](C)c1cc(C#N)ccn1)c1cnn(C)c1 ZINC000927067494 648695034 /nfs/dbraw/zinc/69/50/34/648695034.db2.gz RJWAYUAITQEJES-BLLLJJGKSA-N 0 1 283.379 2.735 20 30 CFEDMN Cc1ccc(-c2cc(C(=O)N3CCC[C@@H](C#N)C3)n[nH]2)cc1 ZINC000928228297 648879448 /nfs/dbraw/zinc/87/94/48/648879448.db2.gz ZQNSQSRZCLIWHF-ZDUSSCGKSA-N 0 1 294.358 2.761 20 30 CFEDMN CCc1[nH]ncc1C(=O)Nc1ccc(CCC#N)cc1 ZINC000928403192 648907851 /nfs/dbraw/zinc/90/78/51/648907851.db2.gz LNVWYVNYAOSWAG-UHFFFAOYSA-N 0 1 268.320 2.681 20 30 CFEDMN C#CCN1CCC(NC(=O)C[C@H]2CCCCC2(C)C)CC1 ZINC000928654516 648939065 /nfs/dbraw/zinc/93/90/65/648939065.db2.gz GBJMHHHCLPYJQX-OAHLLOKOSA-N 0 1 290.451 2.807 20 30 CFEDMN C#CCN1CCC(NC(=O)c2ccc3ccccc3c2)CC1 ZINC000928660942 648939685 /nfs/dbraw/zinc/93/96/85/648939685.db2.gz KHJUUIIUYZDQJG-UHFFFAOYSA-N 0 1 292.382 2.667 20 30 CFEDMN C#CCN(Cc1cncc(C#N)c1)C1CCCCC1 ZINC000929362745 649039092 /nfs/dbraw/zinc/03/90/92/649039092.db2.gz VGXGTROKRMXYBF-UHFFFAOYSA-N 0 1 253.349 2.721 20 30 CFEDMN C#CCN(Cc1cncc(C(=O)OC)c1)C1CCCCC1 ZINC000929362688 649039168 /nfs/dbraw/zinc/03/91/68/649039168.db2.gz SQLMJSCRIKVENO-UHFFFAOYSA-N 0 1 286.375 2.636 20 30 CFEDMN C[C@H](C#N)CN(C)C[C@@H]1CC[C@H](NC(=O)OC(C)(C)C)C1 ZINC000929472142 649056097 /nfs/dbraw/zinc/05/60/97/649056097.db2.gz MZICLRPCRDHXGE-MCIONIFRSA-N 0 1 295.427 2.771 20 30 CFEDMN C[C@@H](O)[C@H]1CCCCN1Cc1cc(Cl)cc(C#N)c1 ZINC000929594346 649073715 /nfs/dbraw/zinc/07/37/15/649073715.db2.gz CVWPEIUCIDNMNB-IAQYHMDHSA-N 0 1 278.783 2.947 20 30 CFEDMN N#Cc1cncc(CN2CCC[C@H]2C[C@@H](O)c2ccco2)c1 ZINC000929830160 649133789 /nfs/dbraw/zinc/13/37/89/649133789.db2.gz AUJOKTARJAWUKS-JKSUJKDBSA-N 0 1 297.358 2.634 20 30 CFEDMN CCO[C@H]1C[C@@H](N(C)Cc2cncc(C#N)c2)C12CCC2 ZINC000929840349 649135766 /nfs/dbraw/zinc/13/57/66/649135766.db2.gz DMTGMWPZAREASB-CVEARBPZSA-N 0 1 285.391 2.733 20 30 CFEDMN N#CC[C@@H](O)CN(Cc1ccc(F)cc1F)C1CCCC1 ZINC000929911303 649148511 /nfs/dbraw/zinc/14/85/11/649148511.db2.gz DLVCYDWLLKWMKK-OAHLLOKOSA-N 0 1 294.345 2.984 20 30 CFEDMN Cc1cc(C#N)cc(C)c1CN1CCOC[C@H]1C1CC1 ZINC000930130880 649191393 /nfs/dbraw/zinc/19/13/93/649191393.db2.gz YPNHZWHSLYPQOO-KRWDZBQOSA-N 0 1 270.376 2.786 20 30 CFEDMN C[C@@H](CCO)N(Cc1ccccc1)Cc1cncc(C#N)c1 ZINC000930177898 649198839 /nfs/dbraw/zinc/19/88/39/649198839.db2.gz SLGYNMQTPHZDNP-HNNXBMFYSA-N 0 1 295.386 2.726 20 30 CFEDMN CC(C)C[C@@H]1C(=O)NCCN1CCCCC1(C#N)CCC1 ZINC000930251119 649215323 /nfs/dbraw/zinc/21/53/23/649215323.db2.gz VAJCXBCXIJZGLN-OAHLLOKOSA-N 0 1 291.439 2.697 20 30 CFEDMN C=CC[N@@H+](C[C@@H](O)c1cccc(C)c1)[C@H](C)COC ZINC000930930430 649351933 /nfs/dbraw/zinc/35/19/33/649351933.db2.gz HRRCGKWOICTJCV-GDBMZVCRSA-N 0 1 263.381 2.551 20 30 CFEDMN C=CC[N@H+](C[C@@H](C)C(=O)c1ccc([O-])cc1)[C@@H](C)COC ZINC000930932394 649353169 /nfs/dbraw/zinc/35/31/69/649353169.db2.gz KCQCSHLOQOUIPI-KGLIPLIRSA-N 0 1 291.391 2.734 20 30 CFEDMN C=CC[N@@H+](C[C@@H](C)C(=O)c1ccc([O-])cc1)[C@@H](C)COC ZINC000930932394 649353172 /nfs/dbraw/zinc/35/31/72/649353172.db2.gz KCQCSHLOQOUIPI-KGLIPLIRSA-N 0 1 291.391 2.734 20 30 CFEDMN C=CCCc1ccccc1NC(=O)NC[C@H]1CCN1C ZINC000931289148 649402237 /nfs/dbraw/zinc/40/22/37/649402237.db2.gz ZATODJJGONTOPB-CQSZACIVSA-N 0 1 273.380 2.631 20 30 CFEDMN C#CCCCCCCN1CCN(Cc2cncs2)CC1 ZINC000931357666 649414697 /nfs/dbraw/zinc/41/46/97/649414697.db2.gz YFSYEPITQDLTKJ-UHFFFAOYSA-N 0 1 291.464 2.844 20 30 CFEDMN CN(Cc1ccc(N2CCOCC2)cc1)[C@H]1CCC[C@H]1C#N ZINC000931477187 649438119 /nfs/dbraw/zinc/43/81/19/649438119.db2.gz WDTDVKPDHMKMHV-WMZOPIPTSA-N 0 1 299.418 2.647 20 30 CFEDMN C#CCC1(O)CCN(Cc2cnc(-c3ccccc3)o2)CC1 ZINC000931699275 649474519 /nfs/dbraw/zinc/47/45/19/649474519.db2.gz BPSYKOHVHWFMQH-UHFFFAOYSA-N 0 1 296.370 2.692 20 30 CFEDMN C=CCC1(O)CCN([C@H](C)c2ccc(F)nc2)CC1 ZINC000931751218 649484128 /nfs/dbraw/zinc/48/41/28/649484128.db2.gz VHQSRDBKJFRGTK-GFCCVEGCSA-N 0 1 264.344 2.685 20 30 CFEDMN C=CCC[C@H](O)CN1CCc2nc[nH]c2[C@@H]1c1ccccc1 ZINC000931795377 649490545 /nfs/dbraw/zinc/49/05/45/649490545.db2.gz WFDQDGHLOBTVLM-YJBOKZPZSA-N 0 1 297.402 2.684 20 30 CFEDMN N#Cc1ccsc1NC(=O)N[C@H]1CCCc2cn[nH]c21 ZINC000931842711 649499643 /nfs/dbraw/zinc/49/96/43/649499643.db2.gz MCQBYACDAGJUBG-JTQLQIEISA-N 0 1 287.348 2.542 20 30 CFEDMN Cc1nc([C@@H]2CCN(Cc3ccc(C)c(C#N)c3)C2)no1 ZINC000931936113 649515572 /nfs/dbraw/zinc/51/55/72/649515572.db2.gz LXFVZMRRLRLAJX-CQSZACIVSA-N 0 1 282.347 2.548 20 30 CFEDMN C#CC[N@@H+](C[C@H](O)c1ccc(F)cc1F)C(C)(C)C ZINC000932462681 649605573 /nfs/dbraw/zinc/60/55/73/649605573.db2.gz CHBIUMJQTWLDJV-AWEZNQCLSA-N 0 1 267.319 2.732 20 30 CFEDMN C=CCCCN1CCn2c(cnc2C(F)(F)F)C1 ZINC000932585737 649623526 /nfs/dbraw/zinc/62/35/26/649623526.db2.gz KZBVOECMQAOUST-UHFFFAOYSA-N 0 1 259.275 2.684 20 30 CFEDMN CSCC1CCN(Cc2ccc(C#N)o2)CC1 ZINC000932588084 649624354 /nfs/dbraw/zinc/62/43/54/649624354.db2.gz AEISAUACJVAZNI-UHFFFAOYSA-N 0 1 250.367 2.726 20 30 CFEDMN OC1(C2CCC2)CCN(CC#Cc2ccc(F)cc2)CC1 ZINC000932818416 649646002 /nfs/dbraw/zinc/64/60/02/649646002.db2.gz OJECHGIAUDUDQC-UHFFFAOYSA-N 0 1 287.378 2.804 20 30 CFEDMN CC(C)N1CCC[C@H]1C(=O)N[C@@](C)(C#N)C1CCCCC1 ZINC000932887135 649657382 /nfs/dbraw/zinc/65/73/82/649657382.db2.gz QMIRCRSURKHFNU-RDJZCZTQSA-N 0 1 291.439 2.838 20 30 CFEDMN N#Cc1ccc(CCN2CCOC[C@H]2CC2CC2)cc1 ZINC000933215502 649680273 /nfs/dbraw/zinc/68/02/73/649680273.db2.gz RSFRRFOIJPTIIF-QGZVFWFLSA-N 0 1 270.376 2.602 20 30 CFEDMN N#Cc1ccc(CCN2CCOC[C@@H]2CC2CC2)cc1 ZINC000933215501 649680300 /nfs/dbraw/zinc/68/03/00/649680300.db2.gz RSFRRFOIJPTIIF-KRWDZBQOSA-N 0 1 270.376 2.602 20 30 CFEDMN C#CCC1(NCc2ncnn2CCC)CCCCC1 ZINC000933264884 649683864 /nfs/dbraw/zinc/68/38/64/649683864.db2.gz ITDWPFQFQMTCOY-UHFFFAOYSA-N 0 1 260.385 2.504 20 30 CFEDMN C#CCC1(NCc2cc(OC)c(F)cc2[N+](=O)[O-])CCC1 ZINC000933296712 649685647 /nfs/dbraw/zinc/68/56/47/649685647.db2.gz LOEIMGXMQPXFMT-UHFFFAOYSA-N 0 1 292.310 2.778 20 30 CFEDMN C#CCC1(N[C@@H](C(=O)NC2CC2)c2ccccc2)CCC1 ZINC000933299953 649686043 /nfs/dbraw/zinc/68/60/43/649686043.db2.gz MUUIYJSNIWMDQO-MRXNPFEDSA-N 0 1 282.387 2.542 20 30 CFEDMN C=CC[C@H](C)N1CCO[C@@H](c2ccc(C#N)cc2)C1 ZINC000933631477 649709074 /nfs/dbraw/zinc/70/90/74/649709074.db2.gz JXLHWKIKMIYOOS-XJKSGUPXSA-N 0 1 256.349 2.896 20 30 CFEDMN C[C@H](c1cccc(C#N)c1)N1CCC2(CC1)CC(=O)C=CO2 ZINC000933646100 649709827 /nfs/dbraw/zinc/70/98/27/649709827.db2.gz GHKHAIYHABVSJY-CQSZACIVSA-N 0 1 296.370 2.957 20 30 CFEDMN C[C@H](c1ccc(C#N)cc1)N1CCC2(CC1)CC(=O)C=CO2 ZINC000933652409 649710533 /nfs/dbraw/zinc/71/05/33/649710533.db2.gz WMRUBVAHASDIBG-CQSZACIVSA-N 0 1 296.370 2.957 20 30 CFEDMN C=CC[C@@H]1CCN1[C@H](C(=O)NC1CC1)c1ccccc1 ZINC000934464818 649788853 /nfs/dbraw/zinc/78/88/53/649788853.db2.gz AINVVWWHSWJROJ-CVEARBPZSA-N 0 1 270.376 2.657 20 30 CFEDMN C=CC[C@H]1CCN1CC(=O)N(C)[C@H](C)CC(C)C ZINC000934465305 649789153 /nfs/dbraw/zinc/78/91/53/649789153.db2.gz KOYQYRJSFLCRNL-KGLIPLIRSA-N 0 1 252.402 2.530 20 30 CFEDMN C=CC[C@@H]1CCN1CC(=O)N(C1CC1)C1CCCC1 ZINC000934469658 649789649 /nfs/dbraw/zinc/78/96/49/649789649.db2.gz XKMVSCURUHYNFI-CYBMUJFWSA-N 0 1 262.397 2.570 20 30 CFEDMN C=CC[C@H]1CCN1CC(=O)N(C1CC1)C1CCCC1 ZINC000934469659 649789956 /nfs/dbraw/zinc/78/99/56/649789956.db2.gz XKMVSCURUHYNFI-ZDUSSCGKSA-N 0 1 262.397 2.570 20 30 CFEDMN C=CC[C@@H]1CCN1[C@@H](C)C(=O)N1CCCC[C@@H]1CC ZINC000934470972 649790175 /nfs/dbraw/zinc/79/01/75/649790175.db2.gz IVOSAKSLTBJVMJ-SOUVJXGZSA-N 0 1 264.413 2.816 20 30 CFEDMN C=CC[C@H]1CCN1CC(=O)NCc1cccc(Cl)c1 ZINC000934470749 649790598 /nfs/dbraw/zinc/79/05/98/649790598.db2.gz FITOWAXIQNJTRQ-AWEZNQCLSA-N 0 1 278.783 2.607 20 30 CFEDMN C=CC[C@@H]1CCN1[C@H](C)C(=O)N[C@@H]1CCCC[C@H]1C ZINC000934469978 649790604 /nfs/dbraw/zinc/79/06/04/649790604.db2.gz ACSMACALMLNVLR-KBUPBQIOSA-N 0 1 264.413 2.720 20 30 CFEDMN C=CC[C@@H]1CCN1[C@@H](C)C(=O)NCc1ccccc1C ZINC000934470676 649790607 /nfs/dbraw/zinc/79/06/07/649790607.db2.gz DUXNFCYYKUEUKD-GOEBONIOSA-N 0 1 272.392 2.650 20 30 CFEDMN C=CC[C@H]1CCN1[C@H](C)C(=O)Nc1ccccc1C ZINC000934472041 649791117 /nfs/dbraw/zinc/79/11/17/649791117.db2.gz LHRXSJIMOIDXAE-KGLIPLIRSA-N 0 1 258.365 2.972 20 30 CFEDMN O=[N+]([O-])c1ccccc1NN=Cc1ccccc1O ZINC000254480384 651089795 /nfs/dbraw/zinc/08/97/95/651089795.db2.gz MFDJPWWKEQIHCB-UHFFFAOYSA-N 0 1 257.249 2.746 20 30 CFEDMN C=C(C)CN1CCC[C@H](NC(=O)c2ccc(Cl)o2)C1 ZINC001006754473 651129603 /nfs/dbraw/zinc/12/96/03/651129603.db2.gz YWRJTCAGKXIPCW-NSHDSACASA-N 0 1 282.771 2.703 20 30 CFEDMN C=CCN1CCC[C@@H](NC(=O)[C@@H]2CCC(C)=C(C)C2)C1 ZINC001007397272 651133539 /nfs/dbraw/zinc/13/35/39/651133539.db2.gz BPCYPVNAMBCDKM-HZPDHXFCSA-N 0 1 276.424 2.890 20 30 CFEDMN C=CCN1CCC[C@H](NC(=O)c2cccc(F)c2C)C1 ZINC001007387436 651134503 /nfs/dbraw/zinc/13/45/03/651134503.db2.gz PORHISSABDTTDH-ZDUSSCGKSA-N 0 1 276.355 2.514 20 30 CFEDMN C=C(C)CN1CCC[C@H](NC(=O)[C@@H]2C[C@H]2C(C)(C)C)C1 ZINC001007905221 651139816 /nfs/dbraw/zinc/13/98/16/651139816.db2.gz CHCULJYAGKEPQP-RRFJBIMHSA-N 0 1 278.440 2.825 20 30 CFEDMN C=CCCN1CCC[C@H](NC(=O)c2ncc(Cl)s2)C1 ZINC001007932250 651140419 /nfs/dbraw/zinc/14/04/19/651140419.db2.gz JDBGKQXWWFNKMH-JTQLQIEISA-N 0 1 299.827 2.567 20 30 CFEDMN C=CCN1CCC[C@H](NC(=O)[C@@H](c2ccccc2)C2CC2)C1 ZINC001007934147 651140700 /nfs/dbraw/zinc/14/07/00/651140700.db2.gz NUMOCUMXEWKSAL-ROUUACIJSA-N 0 1 298.430 2.947 20 30 CFEDMN C=C(C)CN1CCC[C@@H](NC(=O)[C@]2(C)C[C@H]3C[C@H]3C2)C1 ZINC001008046906 651141363 /nfs/dbraw/zinc/14/13/63/651141363.db2.gz OEQURMJMWPVZRQ-JYYAWHABSA-N 0 1 276.424 2.579 20 30 CFEDMN C=CCN1CCC[C@@H](NC(=O)c2cc[nH]c2C(C)C)C1 ZINC001008265283 651145546 /nfs/dbraw/zinc/14/55/46/651145546.db2.gz UJUFVZDFWBJYEO-CYBMUJFWSA-N 0 1 275.396 2.518 20 30 CFEDMN C=CCN1CCC[C@H](NC(=O)c2ccc3[nH]ccc3c2)C1 ZINC001008367233 651147320 /nfs/dbraw/zinc/14/73/20/651147320.db2.gz UHEPBMXHOXCRPW-HNNXBMFYSA-N 0 1 283.375 2.548 20 30 CFEDMN C=C(C)CN1CCC[C@H](NC(=O)[C@@H]2C[C@H]2CCC)C1 ZINC001008460700 651149043 /nfs/dbraw/zinc/14/90/43/651149043.db2.gz UBDPWWHUWOPQCO-QLFBSQMISA-N 0 1 264.413 2.579 20 30 CFEDMN C=CCN1CCC[C@@H](NC(=O)c2cc[nH]c2C2CCC2)C1 ZINC001008520435 651150728 /nfs/dbraw/zinc/15/07/28/651150728.db2.gz IWGKWYCPHJGEQI-CQSZACIVSA-N 0 1 287.407 2.662 20 30 CFEDMN C=CCN1CCC[C@@H](NC(=O)c2ccc(C3CC3)nc2C)C1 ZINC001008574032 651150744 /nfs/dbraw/zinc/15/07/44/651150744.db2.gz IIJYWGSHJWVLCT-OAHLLOKOSA-N 0 1 299.418 2.648 20 30 CFEDMN C=CCN1CCC[C@@H](NC(=O)[C@@H]2CCc3ccccc3C2)C1 ZINC001008665235 651152231 /nfs/dbraw/zinc/15/22/31/651152231.db2.gz LFKHTEQVDKIEEP-QZTJIDSGSA-N 0 1 298.430 2.558 20 30 CFEDMN C=CCN1CCC[C@@H](NC(=O)C[C@@H]2CCc3ccccc32)C1 ZINC001008928479 651155025 /nfs/dbraw/zinc/15/50/25/651155025.db2.gz XPDGUNKQLSVMBZ-DLBZAZTESA-N 0 1 298.430 2.873 20 30 CFEDMN C=C(C)CN1CCC[C@@H](NC(=O)[C@@H]2CC23CCCC3)C1 ZINC001009080813 651155278 /nfs/dbraw/zinc/15/52/78/651155278.db2.gz XQTAOCCRJFEZSY-CABCVRRESA-N 0 1 276.424 2.723 20 30 CFEDMN C=CCN1CCC[C@H](NC(=O)c2ccc3ccccc3n2)C1 ZINC001009306941 651158389 /nfs/dbraw/zinc/15/83/89/651158389.db2.gz WSPBIRASVSCYNU-HNNXBMFYSA-N 0 1 295.386 2.615 20 30 CFEDMN C=CCN1CCC[C@H](NC(=O)c2ccc3c(c2)CCCC3)C1 ZINC001009427193 651160854 /nfs/dbraw/zinc/16/08/54/651160854.db2.gz SQIXFBSLJOQKTH-SFHVURJKSA-N 0 1 298.430 2.946 20 30 CFEDMN C=CCN1CCC[C@@H](NC(=O)[C@@H](C)c2cccc(F)c2)C1 ZINC001009587363 651162057 /nfs/dbraw/zinc/16/20/57/651162057.db2.gz NDASUDJRNYWKRV-XJKSGUPXSA-N 0 1 290.382 2.696 20 30 CFEDMN C=CCN1CCC[C@@H](NC(=O)[C@@H](C)c2ccccc2C)C1 ZINC001009602049 651162276 /nfs/dbraw/zinc/16/22/76/651162276.db2.gz JWEPUFNBKKGCRQ-JKSUJKDBSA-N 0 1 286.419 2.865 20 30 CFEDMN C=CCN1CCC[C@@H](NC(=O)[C@@]2(C)CC=C(C)CC2)C1 ZINC001009615298 651162468 /nfs/dbraw/zinc/16/24/68/651162468.db2.gz ZXQRJVDXYUIVMQ-WBVHZDCISA-N 0 1 276.424 2.890 20 30 CFEDMN C=CCN1CC[C@H](NC(=O)c2cccc(Cl)c2C)C1 ZINC001014510619 651186742 /nfs/dbraw/zinc/18/67/42/651186742.db2.gz WOYONUMNWYZLJE-LBPRGKRZSA-N 0 1 278.783 2.639 20 30 CFEDMN C=C(C)CN1CC[C@H](NC(=O)c2oc(C(F)F)cc2C)C1 ZINC001014813164 651192257 /nfs/dbraw/zinc/19/22/57/651192257.db2.gz VTHGWGMFYRRPTM-NSHDSACASA-N 0 1 298.333 2.906 20 30 CFEDMN C=CCN1CC[C@@H](NC(=O)[C@@H]2CC[C@@H](c3ccccc3)C2)C1 ZINC001014924605 651194013 /nfs/dbraw/zinc/19/40/13/651194013.db2.gz NIFXCBOFLNUKSA-KZNAEPCWSA-N 0 1 298.430 2.947 20 30 CFEDMN C=CCN1CC[C@@H](NC(=O)c2c(C)c(F)ccc2Cl)C1 ZINC001015004485 651194792 /nfs/dbraw/zinc/19/47/92/651194792.db2.gz PXGQEGOXCJVYLE-LLVKDONJSA-N 0 1 296.773 2.778 20 30 CFEDMN C=CCN1CC[C@H](NC(=O)c2cc3ccccc3cc2F)C1 ZINC001015232305 651198193 /nfs/dbraw/zinc/19/81/93/651198193.db2.gz GBXLWSAFKPWHAS-HNNXBMFYSA-N 0 1 298.361 2.969 20 30 CFEDMN C=CCN1CC[C@@H](NC(=O)c2ccc(C)c3cccnc23)C1 ZINC001015317557 651198614 /nfs/dbraw/zinc/19/86/14/651198614.db2.gz GVOUMSGJTPWULV-CQSZACIVSA-N 0 1 295.386 2.533 20 30 CFEDMN C=CCN1CC[C@H](NC(=O)c2cc(C)cc(Cl)c2)C1 ZINC001015273949 651198746 /nfs/dbraw/zinc/19/87/46/651198746.db2.gz IJVAGZDWWJMFRH-AWEZNQCLSA-N 0 1 278.783 2.639 20 30 CFEDMN C=CCN1CC[C@H](NC(=O)c2ccc(C)c(Cl)c2F)C1 ZINC001015373019 651199895 /nfs/dbraw/zinc/19/98/95/651199895.db2.gz NQOIFUYXHHNTCI-NSHDSACASA-N 0 1 296.773 2.778 20 30 CFEDMN C=C(C)CN1CC[C@@H](NC(=O)c2cccc(Cl)c2F)C1 ZINC001015640427 651206920 /nfs/dbraw/zinc/20/69/20/651206920.db2.gz NLMPYAQPMXSVPN-LLVKDONJSA-N 0 1 296.773 2.859 20 30 CFEDMN C=C(C)CN1CC[C@H](NC(=O)c2cc(F)cc(Cl)c2)C1 ZINC001015747340 651212007 /nfs/dbraw/zinc/21/20/07/651212007.db2.gz PCFMOFUGGYXOHU-AWEZNQCLSA-N 0 1 296.773 2.859 20 30 CFEDMN C=CCN1CC[C@H](NC(=O)c2cc(C(C)(C)C)oc2C)C1 ZINC001015763916 651212472 /nfs/dbraw/zinc/21/24/72/651212472.db2.gz MZDGSTHYWPPEEW-ZDUSSCGKSA-N 0 1 290.407 2.876 20 30 CFEDMN C=C(C)CN1CC[C@@H](NC(=O)c2ccc3cc[nH]c3c2)C1 ZINC001015760860 651212852 /nfs/dbraw/zinc/21/28/52/651212852.db2.gz AJLRYBVNQAFNJG-OAHLLOKOSA-N 0 1 283.375 2.548 20 30 CFEDMN C=CCN1CC[C@H](NC(=O)c2ccc(C(F)F)cc2F)C1 ZINC001015899031 651216966 /nfs/dbraw/zinc/21/69/66/651216966.db2.gz LAUYVXIASCGDKD-NSHDSACASA-N 0 1 298.308 2.753 20 30 CFEDMN C=CCN1CC[C@@H](NC(=O)c2ccc3sccc3c2)C1 ZINC001015929490 651217790 /nfs/dbraw/zinc/21/77/90/651217790.db2.gz VXZRTYHJFZWEJJ-CQSZACIVSA-N 0 1 286.400 2.891 20 30 CFEDMN C=C(C)CN1CC[C@@H](NC(=O)c2cc3nc(C)ccc3o2)C1 ZINC001016051324 651222170 /nfs/dbraw/zinc/22/21/70/651222170.db2.gz CJBMXIPNPWKQLF-CYBMUJFWSA-N 0 1 299.374 2.516 20 30 CFEDMN C=C(C)CN1CC[C@@H](NC(=O)[C@]2(C)CCc3ccccc32)C1 ZINC001016375194 651232397 /nfs/dbraw/zinc/23/23/97/651232397.db2.gz MOCXAUWUFKEFQN-VQIMIIECSA-N 0 1 298.430 2.657 20 30 CFEDMN C=C(C)CN1CC[C@H](NC(=O)c2ccoc2C(C)C)C1 ZINC001016377472 651232851 /nfs/dbraw/zinc/23/28/51/651232851.db2.gz CYEOLMWGIHEGOX-ZDUSSCGKSA-N 0 1 276.380 2.783 20 30 CFEDMN C=CCN1CC[C@H](NC(=O)Cc2c(C)oc3ccccc32)C1 ZINC001016433286 651233667 /nfs/dbraw/zinc/23/36/67/651233667.db2.gz JPXZJVHRBORMPQ-AWEZNQCLSA-N 0 1 298.386 2.660 20 30 CFEDMN C=C(Cl)CN1CCC2(C[C@@H]2NC(=O)CC2CC2)CC1 ZINC001016464685 651234807 /nfs/dbraw/zinc/23/48/07/651234807.db2.gz PEENWNJZZOJKSE-ZDUSSCGKSA-N 0 1 282.815 2.510 20 30 CFEDMN C=CCCN1C[C@H]2CC[C@@H](C1)N2C(=O)c1ccc(F)cc1 ZINC001017298585 651248975 /nfs/dbraw/zinc/24/89/75/651248975.db2.gz AOGYCLUEXIUPGX-IYBDPMFKSA-N 0 1 288.366 2.691 20 30 CFEDMN C=C(C)CN1C[C@H]2CC[C@@H](C1)N2C(=O)/C=C(/C)C1CC1 ZINC001017388090 651251246 /nfs/dbraw/zinc/25/12/46/651251246.db2.gz XLFSUYZLYJPNPU-GERKINCISA-N 0 1 274.408 2.594 20 30 CFEDMN C=C(C)CCN1C[C@H]2CC[C@@H](C1)N2C(=O)[C@H](CC)SC ZINC001017480086 651252588 /nfs/dbraw/zinc/25/25/88/651252588.db2.gz KKLUPMJKXDXENV-ZNMIVQPWSA-N 0 1 296.480 2.769 20 30 CFEDMN C=C(C)CN1C[C@H]2CC[C@@H](C1)N2C(=O)Cc1ccc(C)cc1 ZINC001017711844 651256682 /nfs/dbraw/zinc/25/66/82/651256682.db2.gz YSFGGWHHOSDKAA-HDICACEKSA-N 0 1 298.430 2.789 20 30 CFEDMN C=CCCN1C[C@H]2CC[C@@H](C1)N2C(=O)[C@]1(C)C=CCC1 ZINC001017809964 651258622 /nfs/dbraw/zinc/25/86/22/651258622.db2.gz KKQGJNOLQINXHS-HLLBOEOZSA-N 0 1 274.408 2.594 20 30 CFEDMN C=CCCN1C[C@H]2CC[C@@H](C1)N2C(=O)C1(F)CCCCC1 ZINC001018141604 651266490 /nfs/dbraw/zinc/26/64/90/651266490.db2.gz DGZQSKJNHCUNAP-GASCZTMLSA-N 0 1 294.414 2.910 20 30 CFEDMN C#CCCN1C[C@H]2CC[C@@H](C1)N2C(=O)c1ccc(C)c(C)c1 ZINC001018234477 651267752 /nfs/dbraw/zinc/26/77/52/651267752.db2.gz QXZDYVYBZOORNB-HDICACEKSA-N 0 1 296.414 2.616 20 30 CFEDMN C=C(Cl)CN[C@H]1CCN(C(=O)[C@H]2CCCC23CC3)C1 ZINC001019034970 651278604 /nfs/dbraw/zinc/27/86/04/651278604.db2.gz VBKXKDRIJGEKMQ-QWHCGFSZSA-N 0 1 282.815 2.510 20 30 CFEDMN C=C(Cl)CN[C@H]1CCN(C(=O)C2(CC)CCC2)C1 ZINC001019252299 651281989 /nfs/dbraw/zinc/28/19/89/651281989.db2.gz LAZUNYQOWXFHLM-LBPRGKRZSA-N 0 1 270.804 2.510 20 30 CFEDMN C=C(Cl)CN[C@H]1CCN(C(=O)[C@H]2CCC(C)(C)C2)C1 ZINC001019337309 651283198 /nfs/dbraw/zinc/28/31/98/651283198.db2.gz DPOBBUVKRUWZDI-STQMWFEESA-N 0 1 284.831 2.756 20 30 CFEDMN C=C(Cl)CN[C@H]1CCN(C(=O)[C@H](C)C2CCCC2)C1 ZINC001019632626 651288326 /nfs/dbraw/zinc/28/83/26/651288326.db2.gz STBXNTQLMLWOHI-OCCSQVGLSA-N 0 1 284.831 2.756 20 30 CFEDMN C=CCC[N@@H+]1CC[C@@H]1CN(C)C(=O)[C@@H]1C[C@H]1C1CCC1 ZINC001085867605 782189853 /nfs/dbraw/zinc/18/98/53/782189853.db2.gz QQYXLDMGOOZDQV-OWCLPIDISA-N 0 1 276.424 2.531 20 30 CFEDMN N#Cc1c(Cl)ccnc1N1CCN(C2CCCC2)CC1 ZINC001165029302 721854325 /nfs/dbraw/zinc/85/43/25/721854325.db2.gz JMNBMCHIJIZHAD-UHFFFAOYSA-N 0 1 290.798 2.671 20 30 CFEDMN C=C(C)CN1CC[C@@H]1CN(C)C(=O)[C@H]1CC[C@H](C)CC1 ZINC001085935496 782207135 /nfs/dbraw/zinc/20/71/35/782207135.db2.gz HBYYYJIRPGZXJO-BZUAXINKSA-N 0 1 278.440 2.922 20 30 CFEDMN C=C(C)CN1CC[C@@H]1CN(C)C(=O)c1ccc(F)cc1C ZINC001085937367 782208268 /nfs/dbraw/zinc/20/82/68/782208268.db2.gz DDJPOLCEBUOXHJ-OAHLLOKOSA-N 0 1 290.382 2.857 20 30 CFEDMN C#CCCN1CC[C@H]1CN(C)C(=O)[C@@H]1CCCC(C)(C)C1 ZINC001085992488 782229519 /nfs/dbraw/zinc/22/95/19/782229519.db2.gz LHCDPYUZBQDTGC-CVEARBPZSA-N 0 1 290.451 2.759 20 30 CFEDMN N#Cc1cc(-c2cccc(O)c2F)nc(C2CC2)n1 ZINC001243546147 782269803 /nfs/dbraw/zinc/26/98/03/782269803.db2.gz KXNBDTIZSVGHPA-UHFFFAOYSA-N 0 1 255.252 2.737 20 30 CFEDMN N#C[C@@H]1CN(CCc2ccc(Cl)cc2Cl)CCC1=O ZINC001209081155 769993570 /nfs/dbraw/zinc/99/35/70/769993570.db2.gz KQZFVAQXLBTDMW-LLVKDONJSA-N 0 1 297.185 2.950 20 30 CFEDMN C=CC[C@@H](C=C)Oc1[nH]c(=O)nc2cccc(OC)c21 ZINC001229241513 776762487 /nfs/dbraw/zinc/76/24/87/776762487.db2.gz IGNKKMVTVAYYBL-SNVBAGLBSA-N 0 1 272.304 2.854 20 30 CFEDMN CC#CCN1CC[C@H](NC(=O)c2cc(C)ccc2C)[C@H]1CC ZINC001087809407 777702786 /nfs/dbraw/zinc/70/27/86/777702786.db2.gz QQTCGYBRJBVNHD-ZWKOTPCHSA-N 0 1 298.430 2.909 20 30 CFEDMN C=CCN(C)Cc1ccn(C(=O)OC(C)(C)C)c1 ZINC001233432235 777948697 /nfs/dbraw/zinc/94/86/97/777948697.db2.gz CFDYOGHEVNEUGK-UHFFFAOYSA-N 0 1 250.342 2.889 20 30 CFEDMN C=CCN1CC[C@H](N(CC)C(=O)c2cc[nH]c2C2CC2)C1 ZINC001033934301 780831829 /nfs/dbraw/zinc/83/18/29/780831829.db2.gz QTELEYJAPCQVRN-AWEZNQCLSA-N 0 1 287.407 2.615 20 30 CFEDMN CC#CCN1CC[C@@H](N(CC)C(=O)[C@@H]2CCC(C)(C)C2)C1 ZINC001033949141 780834285 /nfs/dbraw/zinc/83/42/85/780834285.db2.gz DRUFNNNTYWYLSO-HZPDHXFCSA-N 0 1 290.451 2.759 20 30 CFEDMN C=C(C)[C@@H]1CC=C(CN2CCCC[C@@H]2C(N)=O)CC1 ZINC001208177583 769890473 /nfs/dbraw/zinc/89/04/73/769890473.db2.gz VDFABODMFNAOFK-HUUCEWRRSA-N 0 1 262.397 2.629 20 30 CFEDMN C=C(C)C(C)(C)C(=O)NC[C@H](C)N(C)Cc1ccccn1 ZINC001282444974 769958188 /nfs/dbraw/zinc/95/81/88/769958188.db2.gz XWJYZYNZDPHSJM-AWEZNQCLSA-N 0 1 289.423 2.620 20 30 CFEDMN CC(=O)[C@H]1CCCCN1CCc1ccc(C#N)cc1 ZINC001208927466 769967322 /nfs/dbraw/zinc/96/73/22/769967322.db2.gz JVNOKVMSQAZSSQ-MRXNPFEDSA-N 0 1 256.349 2.544 20 30 CFEDMN C=CCCCCCCN1CC(=O)N(CC)C[C@H]1C ZINC001209440888 770092331 /nfs/dbraw/zinc/09/23/31/770092331.db2.gz RGVGAGYLROWQOS-CQSZACIVSA-N 0 1 252.402 2.676 20 30 CFEDMN C=CCCCCCCCN1CCC(=O)[C@H](C(=O)OCC)C1 ZINC001209438616 770089858 /nfs/dbraw/zinc/08/98/58/770089858.db2.gz PRICCJGRIOTSRU-OAHLLOKOSA-N 0 1 295.423 2.967 20 30 CFEDMN C#CCN1CCC[C@H]1CNC(=O)[C@H](CC)CC1CCCC1 ZINC001266485576 770201536 /nfs/dbraw/zinc/20/15/36/770201536.db2.gz FFOOWMWHNGMCAZ-SJORKVTESA-N 0 1 290.451 2.807 20 30 CFEDMN C=C(Cl)CN1CC[C@@H]([C@@H]2CCCCN2C(=O)C2CC2)C1 ZINC001039186087 770269081 /nfs/dbraw/zinc/26/90/81/770269081.db2.gz XNGRTCRASIRSBZ-CABCVRRESA-N 0 1 296.842 2.852 20 30 CFEDMN C=C[C@](C)(CC)C(=O)NC[C@@H]1CCN(C/C=C\Cl)C1 ZINC001266534784 770288125 /nfs/dbraw/zinc/28/81/25/770288125.db2.gz YFOIDALHFWUCHE-FZSTZKMBSA-N 0 1 284.831 2.779 20 30 CFEDMN C=CCC1(C(=O)N2CC[C@H](NCC(=C)Cl)C2)CCC1 ZINC001266547720 770309110 /nfs/dbraw/zinc/30/91/10/770309110.db2.gz ZOCUAXNRVBJRSS-ZDUSSCGKSA-N 0 1 282.815 2.676 20 30 CFEDMN C[C@H]1CC(=O)C=C(Nc2ccnc(N3CCCC3)c2)C1 ZINC001210769042 770362021 /nfs/dbraw/zinc/36/20/21/770362021.db2.gz MXXXMPZZNLIKQA-GFCCVEGCSA-N 0 1 271.364 2.977 20 30 CFEDMN C=C(C)C[N@@H+](CCNC(=O)Cc1cccc(C)c1)C1CC1 ZINC001266607186 770416689 /nfs/dbraw/zinc/41/66/89/770416689.db2.gz QHHJMGPZRSXPBN-UHFFFAOYSA-N 0 1 286.419 2.694 20 30 CFEDMN C#CCN(CCNC(=O)CC/C=C\c1ccccc1)C1CC1 ZINC001266609545 770421684 /nfs/dbraw/zinc/42/16/84/770421684.db2.gz QLDZLCDFIQYYIG-POHAHGRESA-N 0 1 296.414 2.694 20 30 CFEDMN C#CCN1CCC(C(=O)N2CCCCC[C@@H]2C(C)C)CC1 ZINC001266687717 770531316 /nfs/dbraw/zinc/53/13/16/770531316.db2.gz NYCAXPRTHPYHJV-QGZVFWFLSA-N 0 1 290.451 2.759 20 30 CFEDMN C=CC(C)(C)C(=O)N1CCCC[C@@H]1CNCC(=C)Cl ZINC001266874480 770709573 /nfs/dbraw/zinc/70/95/73/770709573.db2.gz MLRLIAYXCVCUFN-CYBMUJFWSA-N 0 1 284.831 2.922 20 30 CFEDMN C=C[C@@H](CC)CC(=O)NC[C@@H](C)NCC#Cc1ccccc1 ZINC001266964924 770774232 /nfs/dbraw/zinc/77/42/32/770774232.db2.gz SBNAAGPVQIENJY-SJORKVTESA-N 0 1 298.430 2.735 20 30 CFEDMN N#Cc1ccc(CN2CCC3(CCC(=O)CC3)CC2)cn1 ZINC001140546298 770870388 /nfs/dbraw/zinc/87/03/88/770870388.db2.gz CODDYAUEWVVKDX-UHFFFAOYSA-N 0 1 283.375 2.679 20 30 CFEDMN C=C1O[C@@H](CC)C(=O)C1OCc1ccc(OCC)nc1 ZINC001224080289 775098320 /nfs/dbraw/zinc/09/83/20/775098320.db2.gz BUIIFXIEQCFPCZ-LBPRGKRZSA-N 0 1 277.320 2.606 20 30 CFEDMN C=CCCC(=O)NC[C@@H]1CCCN1Cc1ccc(F)cc1 ZINC001267259245 775114448 /nfs/dbraw/zinc/11/44/48/775114448.db2.gz BJLNHLOKIRWVNB-INIZCTEOSA-N 0 1 290.382 2.873 20 30 CFEDMN N#Cc1cncc(CN2CCC(F)(C3CC3)CC2)c1 ZINC000724830105 775118935 /nfs/dbraw/zinc/11/89/35/775118935.db2.gz JMLOABWFHUTEAG-UHFFFAOYSA-N 0 1 259.328 2.667 20 30 CFEDMN C=C(C)CN1CC[C@H]1CNC(=O)Cc1ccc(Cl)cc1 ZINC001276964756 775160386 /nfs/dbraw/zinc/16/03/86/775160386.db2.gz XAWREYZOQJLBLC-HNNXBMFYSA-N 0 1 292.810 2.649 20 30 CFEDMN C=C1CC(C)(C(=O)NCC2CCN(C/C=C\Cl)CC2)C1 ZINC001224486524 775201030 /nfs/dbraw/zinc/20/10/30/775201030.db2.gz WRPRMPUSDZMGAY-UTCJRWHESA-N 0 1 296.842 2.923 20 30 CFEDMN CCCC(=O)N[C@@H]1CCCC[C@H]1NCc1ccccc1C#N ZINC001224499095 775205210 /nfs/dbraw/zinc/20/52/10/775205210.db2.gz UQFIQPHBKBHXPK-IAGOWNOFSA-N 0 1 299.418 2.875 20 30 CFEDMN C#CCN[C@@H](CNC(=O)C(C)C)c1ccc(C(C)C)cc1 ZINC001267347011 775235445 /nfs/dbraw/zinc/23/54/45/775235445.db2.gz ZZYNEWNOAPMEIQ-KRWDZBQOSA-N 0 1 286.419 2.846 20 30 CFEDMN C#CCN[C@H](CNC(=O)CC(CC)CC)c1ccccc1 ZINC001267377445 775283997 /nfs/dbraw/zinc/28/39/97/775283997.db2.gz PRJNXKROTBTMIQ-QGZVFWFLSA-N 0 1 286.419 2.893 20 30 CFEDMN C=C(Cl)CNCCN(C)C(=O)C1(CCCC)CC1 ZINC001267424422 775322977 /nfs/dbraw/zinc/32/29/77/775322977.db2.gz OSSNVTMWJXYIDM-UHFFFAOYSA-N 0 1 272.820 2.757 20 30 CFEDMN C=CC(C)(C)C(=O)N(C)CCNCc1nc(C)c(C)s1 ZINC001267414780 775315233 /nfs/dbraw/zinc/31/52/33/775315233.db2.gz PSLKVQOWKWHFSX-UHFFFAOYSA-N 0 1 295.452 2.520 20 30 CFEDMN C=CCN1CC[C@@H](N(CCC)C(=O)C[C@@H](C)SC)C1 ZINC001267453283 775330726 /nfs/dbraw/zinc/33/07/26/775330726.db2.gz AVRLJPWOADAWPF-ZIAGYGMSSA-N 0 1 284.469 2.627 20 30 CFEDMN C=CCN1CC[C@H](N(CCC)C(=O)c2ccc(C)o2)C1 ZINC001267451418 775331494 /nfs/dbraw/zinc/33/14/94/775331494.db2.gz ZXLJGGGJGPMVAQ-AWEZNQCLSA-N 0 1 276.380 2.701 20 30 CFEDMN C=C1O[C@@H](C)C(=O)C1OCCCCOC(=O)C(C)(C)C ZINC001225146650 775355852 /nfs/dbraw/zinc/35/58/52/775355852.db2.gz VDPGNAZIYONDFG-JTQLQIEISA-N 0 1 284.352 2.592 20 30 CFEDMN C=C1O[C@H](CC)C(=O)C1OC[C@H](C)NC(=O)OC(C)(C)C ZINC001225159810 775357864 /nfs/dbraw/zinc/35/78/64/775357864.db2.gz UWCXHNOPFAKPDC-GXSJLCMTSA-N 0 1 299.367 2.526 20 30 CFEDMN C=C(Cl)CNCCN(C)C(=O)C12CCC(CC1)CC2 ZINC001267472688 775371033 /nfs/dbraw/zinc/37/10/33/775371033.db2.gz WEESNRHRYKLFPE-UHFFFAOYSA-N 0 1 284.831 2.757 20 30 CFEDMN C#CCN[C@H](CNC(=O)CC)c1ccc(C(C)C)cc1 ZINC001267512706 775405585 /nfs/dbraw/zinc/40/55/85/775405585.db2.gz SCZDZGPYQAHYQL-MRXNPFEDSA-N 0 1 272.392 2.600 20 30 CFEDMN C#CCN[C@@H](CNC(=O)c1cc(C)c(C)o1)c1ccccc1 ZINC001267519675 775415063 /nfs/dbraw/zinc/41/50/63/775415063.db2.gz IDXWUGIGDUOBGD-INIZCTEOSA-N 0 1 296.370 2.590 20 30 CFEDMN C#CCN[C@@H](CNC(=O)C(C)(C)C1CCC1)c1ccccc1 ZINC001267521106 775417956 /nfs/dbraw/zinc/41/79/56/775417956.db2.gz VQDNLZOPGNTNGF-KRWDZBQOSA-N 0 1 298.430 2.893 20 30 CFEDMN C#CCCN1CC[C@@H]1CNC(=O)c1ccccc1C(C)C ZINC001038314848 775427525 /nfs/dbraw/zinc/42/75/25/775427525.db2.gz CATZPMZWOVVHTF-OAHLLOKOSA-N 0 1 284.403 2.637 20 30 CFEDMN CC#CCN1CC[C@@H](N(CCC)C(=O)CCCC)C1 ZINC001267537385 775445228 /nfs/dbraw/zinc/44/52/28/775445228.db2.gz AHZDAJOITXEEEQ-OAHLLOKOSA-N 0 1 264.413 2.513 20 30 CFEDMN CC#CCN1CC[C@@H](N(CCC)C(=O)[C@H]2CC23CCC3)C1 ZINC001267547384 775458552 /nfs/dbraw/zinc/45/85/52/775458552.db2.gz MHHPAKIPYKJKDU-HZPDHXFCSA-N 0 1 288.435 2.513 20 30 CFEDMN C=C1O[C@@H](C)C(=O)C1Oc1ccc(C(F)(F)F)nc1 ZINC001225505846 775486016 /nfs/dbraw/zinc/48/60/16/775486016.db2.gz WJKZGBFIJANUND-LURJTMIESA-N 0 1 273.210 2.699 20 30 CFEDMN N#Cc1ccc(O[C@@H]2CN3CCC2CC3)c(Cl)c1 ZINC001225726606 775574185 /nfs/dbraw/zinc/57/41/85/775574185.db2.gz FDEPFBCGCMYIMI-CQSZACIVSA-N 0 1 262.740 2.685 20 30 CFEDMN C=C1O[C@H](CC)C(=O)C1Oc1ccc([N+](=O)[O-])cc1F ZINC001225942654 775642151 /nfs/dbraw/zinc/64/21/51/775642151.db2.gz SDTFKMPERODIOF-SNVBAGLBSA-N 0 1 281.239 2.722 20 30 CFEDMN C#CCCN1CCC[C@@H](NC(=O)[C@](C)(F)CCCC)C1 ZINC001267615789 775680418 /nfs/dbraw/zinc/68/04/18/775680418.db2.gz UMZTUEOGGYQGHR-GDBMZVCRSA-N 0 1 282.403 2.509 20 30 CFEDMN C=C(C)C(C)(C)C(=O)N[C@@H]1CCCN(CCOC(C)C)C1 ZINC001267616324 775683715 /nfs/dbraw/zinc/68/37/15/775683715.db2.gz HWGWMYQPWMWCCH-OAHLLOKOSA-N 0 1 296.455 2.594 20 30 CFEDMN C=C1CCC(C(=O)N[C@@H](C)[C@@H]2CCCN(CCF)C2)CC1 ZINC001025525131 775690177 /nfs/dbraw/zinc/69/01/77/775690177.db2.gz YGTQLKKRFLETLE-GOEBONIOSA-N 0 1 296.430 2.919 20 30 CFEDMN C=C[C@@]1(C)CC[C@H](C(C)(C)Oc2nc(C)cc(=O)[nH]2)O1 ZINC001226155888 775718857 /nfs/dbraw/zinc/71/88/57/775718857.db2.gz HNLSFSSBZCNHIM-ABAIWWIYSA-N 0 1 278.352 2.772 20 30 CFEDMN C#C[C@@H](CCC)Oc1[nH]c(=O)nc2ccc(F)cc21 ZINC001226408256 775809312 /nfs/dbraw/zinc/80/93/12/775809312.db2.gz HLNYHGJVSYUDMO-JTQLQIEISA-N 0 1 260.268 2.655 20 30 CFEDMN C#C[C@@H]1CCC[C@H]1Oc1[nH]c(=O)nc2ccc(F)cc21 ZINC001226408588 775809677 /nfs/dbraw/zinc/80/96/77/775809677.db2.gz LTVBKTIKOOJOHF-NOZJJQNGSA-N 0 1 272.279 2.655 20 30 CFEDMN CCC#C[C@@H](C)Oc1[nH]c(=O)nc2ccc(F)cc21 ZINC001226410091 775810654 /nfs/dbraw/zinc/81/06/54/775810654.db2.gz ZCPXXZVVEPTFEH-SECBINFHSA-N 0 1 260.268 2.655 20 30 CFEDMN C=CCN1CC[C@H](NC(=O)C[C@@H](C=C)c2ccccc2)C1 ZINC001267734490 775829584 /nfs/dbraw/zinc/82/95/84/775829584.db2.gz LAJUGSRPVWHXOU-WBVHZDCISA-N 0 1 284.403 2.723 20 30 CFEDMN C=C(C)CN1[C@@H]2CC[C@H]1[C@H](NC(=O)C1(F)CCCCC1)C2 ZINC001098154026 775851045 /nfs/dbraw/zinc/85/10/45/775851045.db2.gz PHWGICSSFYXWJO-KFWWJZLASA-N 0 1 294.414 2.956 20 30 CFEDMN C=CCN1CC[C@@H](NC(=O)C[C@H](C)c2cccc(F)c2)C1 ZINC001267749779 775877815 /nfs/dbraw/zinc/87/78/15/775877815.db2.gz SWLPAJSVPQFFSM-XJKSGUPXSA-N 0 1 290.382 2.696 20 30 CFEDMN C=CCN1CC[C@@H](NC(=O)C(CC)(CC)CC)C1 ZINC001267750767 775880735 /nfs/dbraw/zinc/88/07/35/775880735.db2.gz GHNLYSYLXZSFJG-CYBMUJFWSA-N 0 1 252.402 2.579 20 30 CFEDMN Cc1cc(C#N)cc(Cl)c1O[C@H]1CCN(C)C1 ZINC001226596034 775886729 /nfs/dbraw/zinc/88/67/29/775886729.db2.gz UDRIEEHNTJCPOU-NSHDSACASA-N 0 1 250.729 2.603 20 30 CFEDMN C#CCN1CC[C@H](N(C)C(=O)C/C=C/c2ccc(C)cc2)C1 ZINC001267778666 775921805 /nfs/dbraw/zinc/92/18/05/775921805.db2.gz FLPZYQKTSUPPFR-QWNKOJSDSA-N 0 1 296.414 2.564 20 30 CFEDMN C=C1O[C@@H](CC)C(=O)C1Oc1nc2ccc(F)cc2[nH]1 ZINC001226702302 775928629 /nfs/dbraw/zinc/92/86/29/775928629.db2.gz ZHYUZVJRZFKLHP-NSHDSACASA-N 0 1 276.267 2.690 20 30 CFEDMN C=CCN1CC[C@@H](N(CC)C(=O)[C@H](C)c2ccsc2)C1 ZINC001267789396 775932018 /nfs/dbraw/zinc/93/20/18/775932018.db2.gz HMTMBSYOIJHWGL-UKRRQHHQSA-N 0 1 292.448 2.960 20 30 CFEDMN C#C[C@H](CCCCC)Oc1nc[nH]c(=O)c1Br ZINC001226718710 775936343 /nfs/dbraw/zinc/93/63/43/775936343.db2.gz BHMNATCMFVGFPD-SECBINFHSA-N 0 1 299.168 2.906 20 30 CFEDMN C=C[C@H](C#CC(C)(C)C)Oc1nc2[nH]cnc2c(=S)[nH]1 ZINC001226784808 775964040 /nfs/dbraw/zinc/96/40/40/775964040.db2.gz JIEYJDPWLKVKMW-SECBINFHSA-N 0 1 288.376 2.625 20 30 CFEDMN C=CC[C@@H](CCC)Oc1nc2[nH]cnc2c(=S)[nH]1 ZINC001226784121 775964173 /nfs/dbraw/zinc/96/41/73/775964173.db2.gz DPIAAYLWABSSTQ-QMMMGPOBSA-N 0 1 264.354 2.765 20 30 CFEDMN C=C(C)CCNC(=O)c1ccc(CN2CCCC2)o1 ZINC001141204071 776003421 /nfs/dbraw/zinc/00/34/21/776003421.db2.gz MBPFRPCZYGRFDU-UHFFFAOYSA-N 0 1 262.353 2.571 20 30 CFEDMN C=CCc1c([O-])ccc(C(C)=O)c1O[C@H](C)C[NH+](C)C ZINC001227121043 776106779 /nfs/dbraw/zinc/10/67/79/776106779.db2.gz ZMHJVHBPXLBOEK-LLVKDONJSA-N 0 1 277.364 2.652 20 30 CFEDMN N#Cc1ccc2nc(O[C@@H]3C[C@H]4C=C[C@@H]3C4)[nH]c2c1 ZINC001227216094 776141992 /nfs/dbraw/zinc/14/19/92/776141992.db2.gz NIKXBLQDYFOCGO-DRCTWCGVSA-N 0 1 251.289 2.778 20 30 CFEDMN C#C[C@@H](Oc1[nH]c(=O)nc2ccc(C)cc21)C(C)C ZINC001227348012 776182006 /nfs/dbraw/zinc/18/20/06/776182006.db2.gz SWBZJIPPOKVFBE-CYBMUJFWSA-N 0 1 256.305 2.680 20 30 CFEDMN CCCCCCCCCN1C[C@H](C)O[C@H](CO)C1 ZINC000299961996 776191281 /nfs/dbraw/zinc/19/12/81/776191281.db2.gz KOHSJPRXFXUUGD-GJZGRUSLSA-N 0 1 257.418 2.819 20 30 CFEDMN C=C[C@@]1(C)CC[C@H](C(C)(C)Oc2ncnc3nc[nH]c32)O1 ZINC001227532519 776221232 /nfs/dbraw/zinc/22/12/32/776221232.db2.gz XMILOJKCAUXJII-BMIGLBTASA-N 0 1 288.351 2.634 20 30 CFEDMN C=C(C)C[C@@H](Oc1[nH]c(=S)nnc1C)C(=C)C ZINC001227600548 776238726 /nfs/dbraw/zinc/23/87/26/776238726.db2.gz FHRDNFQYIFNAOM-SNVBAGLBSA-N 0 1 251.355 2.758 20 30 CFEDMN C=C[C@]1(C)CC[C@H](C(C)(C)Oc2[nH]c(=S)nnc2C)O1 ZINC001227598169 776238822 /nfs/dbraw/zinc/23/88/22/776238822.db2.gz GTVHFXLHYAAQQE-QMTHXVAHSA-N 0 1 295.408 2.750 20 30 CFEDMN C=CC[C@@H](CCCC)Oc1nc(=O)[nH]c2c1COC2 ZINC001227686069 776256233 /nfs/dbraw/zinc/25/62/33/776256233.db2.gz FORADAZWXSXELD-JTQLQIEISA-N 0 1 264.325 2.726 20 30 CFEDMN N#Cc1ccc(CN[C@@H]2CCCc3n[nH]cc32)cc1F ZINC000334675412 776256585 /nfs/dbraw/zinc/25/65/85/776256585.db2.gz LWNRRCAWXNYGJF-CQSZACIVSA-N 0 1 270.311 2.588 20 30 CFEDMN C=C(C)[C@@H]1CC[C@H](C)C[C@@H]1Oc1nc(=O)[nH]c2c1COC2 ZINC001227686686 776257636 /nfs/dbraw/zinc/25/76/36/776257636.db2.gz UWWPHURYZOJURZ-MJVIPROJSA-N 0 1 290.363 2.972 20 30 CFEDMN C#CCC1(C(=O)NC2CCN(C/C=C/Cl)CC2)CCC1 ZINC001227762431 776284939 /nfs/dbraw/zinc/28/49/39/776284939.db2.gz FULWDUOCVHAYAL-ONNFQVAWSA-N 0 1 294.826 2.513 20 30 CFEDMN C[C@H](Oc1[nH]c(=O)nc2cc[nH]c21)c1ccccc1C#N ZINC001227808332 776298096 /nfs/dbraw/zinc/29/80/96/776298096.db2.gz IDCXVMXMWUNHQO-VIFPVBQESA-N 0 1 280.287 2.675 20 30 CFEDMN C=C1O[C@@H](CC)C(=O)C1OCc1ccc([N+](=O)[O-])cc1 ZINC001222790884 776306072 /nfs/dbraw/zinc/30/60/72/776306072.db2.gz DFKYMPIWPYFVJD-LBPRGKRZSA-N 0 1 277.276 2.721 20 30 CFEDMN C=C1CCC(C(=O)N2CCC[C@H](N(C)CCF)C2)CC1 ZINC001027558651 776357261 /nfs/dbraw/zinc/35/72/61/776357261.db2.gz DZRSPAXKHZZVMV-HNNXBMFYSA-N 0 1 282.403 2.625 20 30 CFEDMN C=C1CCC(C(=O)N2CCC[C@@H](N(C)CCF)C2)CC1 ZINC001027558652 776357730 /nfs/dbraw/zinc/35/77/30/776357730.db2.gz DZRSPAXKHZZVMV-OAHLLOKOSA-N 0 1 282.403 2.625 20 30 CFEDMN CC(C)N1CC[C@@H](Oc2c(F)cc(C#N)cc2F)C1 ZINC001228076829 776386310 /nfs/dbraw/zinc/38/63/10/776386310.db2.gz PLQSGKQDUKPQTR-LLVKDONJSA-N 0 1 266.291 2.698 20 30 CFEDMN C=C[C@@]1(C)CC[C@H](C(C)(C)OCc2cnc[nH]2)O1 ZINC001223000050 776411501 /nfs/dbraw/zinc/41/15/01/776411501.db2.gz KBLNXRHETRIRHT-OCCSQVGLSA-N 0 1 250.342 2.829 20 30 CFEDMN N#Cc1ccccc1CNCCNC(=O)C1=CCCCCC1 ZINC001126210427 776443973 /nfs/dbraw/zinc/44/39/73/776443973.db2.gz KNKXGOSOINDYLT-UHFFFAOYSA-N 0 1 297.402 2.655 20 30 CFEDMN C=C(C)C[N@H+]1CCC[C@H]1CNC(=O)C1C(C)(C)C1(C)C ZINC001027811511 776459024 /nfs/dbraw/zinc/45/90/24/776459024.db2.gz IMDAKQBDYAIINZ-ZDUSSCGKSA-N 0 1 278.440 2.825 20 30 CFEDMN C=C(C)C(=O)OC[C@H](C)Oc1ccc2nc(C)[nH]c2c1 ZINC001228327903 776461021 /nfs/dbraw/zinc/46/10/21/776461021.db2.gz XKRHKACGDXLULF-JTQLQIEISA-N 0 1 274.320 2.758 20 30 CFEDMN Cc1ccc2nc([C@@H]3CCCN3C(=O)NCCC#N)[nH]c2c1 ZINC000336634266 776498317 /nfs/dbraw/zinc/49/83/17/776498317.db2.gz VEEYTRRHCSPGRA-AWEZNQCLSA-N 0 1 297.362 2.632 20 30 CFEDMN C[C@@H](CC(C)(C)S)Oc1nc(Cl)nc2nc[nH]c21 ZINC001228507815 776509720 /nfs/dbraw/zinc/50/97/20/776509720.db2.gz WDCYYOYVMZWBNX-LURJTMIESA-N 0 1 286.788 2.872 20 30 CFEDMN C=C(Cl)CNC[C@H](C)N(C)C(=O)/C(C)=C\CC ZINC001268054303 776514133 /nfs/dbraw/zinc/51/41/33/776514133.db2.gz NQQIUFFHNXDBEX-UMAGTOLTSA-N 0 1 258.793 2.532 20 30 CFEDMN C#CCN1CCC[C@@H]1CNC(=O)c1coc2c1cccc2C ZINC001027931926 776517847 /nfs/dbraw/zinc/51/78/47/776517847.db2.gz NJJJBQHSGBLKRI-CQSZACIVSA-N 0 1 296.370 2.569 20 30 CFEDMN C=C[C@H](CCC)Oc1nc(C2CC2)[nH]c(=O)c1[N+](=O)[O-] ZINC001228604852 776537173 /nfs/dbraw/zinc/53/71/73/776537173.db2.gz XEBGNVDMLFGYDA-SECBINFHSA-N 0 1 279.296 2.701 20 30 CFEDMN C=C(Cl)CNC[C@@H](C)N(C)C(=O)C[C@H]1CC=CCC1 ZINC001268079026 776543391 /nfs/dbraw/zinc/54/33/91/776543391.db2.gz NSAYQKITHPGNIU-KGLIPLIRSA-N 0 1 284.831 2.922 20 30 CFEDMN C=CCN1CCC[C@@H]1CNC(=O)c1ccc(CC)s1 ZINC001028005097 776550619 /nfs/dbraw/zinc/55/06/19/776550619.db2.gz NEVSSVSHWIFELQ-GFCCVEGCSA-N 0 1 278.421 2.691 20 30 CFEDMN C=C[C@@H](C#CC(C)(C)C)Oc1ccc2[nH]nnc2c1 ZINC001228662032 776557182 /nfs/dbraw/zinc/55/71/82/776557182.db2.gz AUQIKZKAGUZHAI-NSHDSACASA-N 0 1 255.321 2.941 20 30 CFEDMN C=C(C)CN1CCC[C@H]1CNC(=O)c1occ2c1CCC2 ZINC001028051469 776572713 /nfs/dbraw/zinc/57/27/13/776572713.db2.gz MXZJOWDCLUWUTE-AWEZNQCLSA-N 0 1 288.391 2.539 20 30 CFEDMN C=C1O[C@@H](C)C(=O)C1OCc1cccc([N+](=O)[O-])c1C ZINC001223332245 776584875 /nfs/dbraw/zinc/58/48/75/776584875.db2.gz RYQLECMWNJZXKC-VIFPVBQESA-N 0 1 277.276 2.639 20 30 CFEDMN N#CCc1ccc(Cl)cc1NCCN1CCSCC1 ZINC001167838498 776587799 /nfs/dbraw/zinc/58/77/99/776587799.db2.gz CMBWYYVKKBIAQA-UHFFFAOYSA-N 0 1 295.839 2.867 20 30 CFEDMN C=CC[N@@H+]1CCC[C@@H]1CNC(=O)c1ccn(C(C)C)c1C ZINC001028088986 776605891 /nfs/dbraw/zinc/60/58/91/776605891.db2.gz SKFJIOGMGIYJTG-OAHLLOKOSA-N 0 1 289.423 2.758 20 30 CFEDMN C=C(C)C[C@@H](C)C(=O)NC1CCN(C[C@@H](F)CC)CC1 ZINC001228800810 776618042 /nfs/dbraw/zinc/61/80/42/776618042.db2.gz FWKBIFBQGXTNIB-KGLIPLIRSA-N 0 1 284.419 2.917 20 30 CFEDMN C=CCN1CCC[C@@H]1CNC(=O)c1cc2ccccc2n1C ZINC001028104908 776624463 /nfs/dbraw/zinc/62/44/63/776624463.db2.gz NWNNIKOXEGANES-OAHLLOKOSA-N 0 1 297.402 2.559 20 30 CFEDMN CCC1=C(Oc2cc3c(cc2O)CCC3=O)C(=O)[C@H](C)O1 ZINC001228854767 776635395 /nfs/dbraw/zinc/63/53/95/776635395.db2.gz VZOJRIMRUZCHNC-QMMMGPOBSA-N 0 1 288.299 2.509 20 30 CFEDMN CC1=C(OCc2ncc(C(C)(C)C)o2)C(=O)[C@@H](C)O1 ZINC001223417697 776660426 /nfs/dbraw/zinc/66/04/26/776660426.db2.gz BRQBJHZHSKGBKC-MRVPVSSYSA-N 0 1 265.309 2.708 20 30 CFEDMN C=C1O[C@H](C)C(=O)C1O[C@H](C)c1cccc([N+](=O)[O-])c1 ZINC001223429501 776668187 /nfs/dbraw/zinc/66/81/87/776668187.db2.gz LGPGLLNUWSMXET-RKDXNWHRSA-N 0 1 277.276 2.892 20 30 CFEDMN C=CCN1CCC[C@H]1CNC(=O)c1cc(F)ccc1Cl ZINC001028159525 776670712 /nfs/dbraw/zinc/67/07/12/776670712.db2.gz GXFYPNTYTWMTPU-LBPRGKRZSA-N 0 1 296.773 2.859 20 30 CFEDMN CC#CCN1CCC(NC(=O)CCCc2ccccc2)CC1 ZINC001228970412 776672065 /nfs/dbraw/zinc/67/20/65/776672065.db2.gz DBSLJMBBQCFABZ-UHFFFAOYSA-N 0 1 298.430 2.613 20 30 CFEDMN C=CCN1CCC[C@@H]1CNC(=O)c1cc(Cl)cs1 ZINC001028178844 776680916 /nfs/dbraw/zinc/68/09/16/776680916.db2.gz XKOREIPGCFIORX-LLVKDONJSA-N 0 1 284.812 2.782 20 30 CFEDMN C=CCN1CCC[C@H]1CNC(=O)c1ccsc1Cl ZINC001028180883 776684454 /nfs/dbraw/zinc/68/44/54/776684454.db2.gz IBBVYBSBCCQWMC-JTQLQIEISA-N 0 1 284.812 2.782 20 30 CFEDMN C=CCN1CCC[C@H]1CNC(=O)c1cc([C@H](C)CC)no1 ZINC001028188321 776689643 /nfs/dbraw/zinc/68/96/43/776689643.db2.gz ZPGVOCFMBWSRHJ-OLZOCXBDSA-N 0 1 291.395 2.568 20 30 CFEDMN C=C(C)c1ccc(O[C@H]2C[C@@H]3CC(=O)C[C@H]2[N@H+]3C)cc1 ZINC001229078688 776710163 /nfs/dbraw/zinc/71/01/63/776710163.db2.gz LSTOBHANHADEEX-XKQJLSEDSA-N 0 1 271.360 2.903 20 30 CFEDMN C=C(C)c1ccc(O[C@H]2C[C@@H]3CC(=O)C[C@H]2N3C)cc1 ZINC001229078688 776710169 /nfs/dbraw/zinc/71/01/69/776710169.db2.gz LSTOBHANHADEEX-XKQJLSEDSA-N 0 1 271.360 2.903 20 30 CFEDMN CC#CCN(C)CCN(C)C(=O)C1(CC)CCCCC1 ZINC001268258498 776726748 /nfs/dbraw/zinc/72/67/48/776726748.db2.gz CQSLOOJNTMEJNQ-UHFFFAOYSA-N 0 1 278.440 2.760 20 30 CFEDMN C[N@H+]1CCC[C@@H](O/C(=N\[O-])c2ccc(Cl)cc2)C1 ZINC001223597382 776738662 /nfs/dbraw/zinc/73/86/62/776738662.db2.gz UYNCBRYQKMJIJL-GMXMXKFQSA-N 0 1 268.744 2.587 20 30 CFEDMN C=CCN1CCC[C@H]1CNC(=O)c1ccoc1CCC ZINC001028261838 776767710 /nfs/dbraw/zinc/76/77/10/776767710.db2.gz HPPSEJYZTHBXLX-ZDUSSCGKSA-N 0 1 276.380 2.612 20 30 CFEDMN C#CCN1CCC[C@@H]1CNC(=O)c1ccc2ccccc2c1 ZINC001028279932 776799339 /nfs/dbraw/zinc/79/93/39/776799339.db2.gz XTGQAWAGYQQRAF-GOSISDBHSA-N 0 1 292.382 2.667 20 30 CFEDMN C#CC[C@@H](CC)Oc1[nH]c(=O)nc2c(C)cccc12 ZINC001229408858 776804306 /nfs/dbraw/zinc/80/43/06/776804306.db2.gz YXCSKNIIZOVUFI-LLVKDONJSA-N 0 1 256.305 2.825 20 30 CFEDMN CC#CCN1CCC(NC(=O)[C@H](CCC)C(C)C)CC1 ZINC001229408978 776804847 /nfs/dbraw/zinc/80/48/47/776804847.db2.gz BZICCUVBJJGPMI-MRXNPFEDSA-N 0 1 278.440 2.663 20 30 CFEDMN C=C(C)C(C)(C)C(=O)NC1CN(CC2CC3(CCC3)C2)C1 ZINC001268432831 776805456 /nfs/dbraw/zinc/80/54/56/776805456.db2.gz HVTMDPHRJMSKKJ-UHFFFAOYSA-N 0 1 290.451 2.969 20 30 CFEDMN C#C[C@H](CCCCC)Oc1nc(C)nc2[nH]cnc21 ZINC001229438703 776810819 /nfs/dbraw/zinc/81/08/19/776810819.db2.gz TWVXANFTGIYVMN-LLVKDONJSA-N 0 1 258.325 2.622 20 30 CFEDMN C=C(Cl)CN[C@@H]1CCCN(C(=O)/C=C\C(C)(C)C)C1 ZINC001207701466 776812644 /nfs/dbraw/zinc/81/26/44/776812644.db2.gz KILRSKZDQDBCIU-MEJMFZKBSA-N 0 1 284.831 2.922 20 30 CFEDMN Cc1cc(CN2CCC[C@@H]2c2ccnn2C)ccc1C#N ZINC000932265805 776823766 /nfs/dbraw/zinc/82/37/66/776823766.db2.gz TZONHTKYKULVSE-QGZVFWFLSA-N 0 1 280.375 2.937 20 30 CFEDMN C#CCN1CCC[C@@H]1CNC(=O)c1ccccc1C1CCC1 ZINC001028290756 776829973 /nfs/dbraw/zinc/82/99/73/776829973.db2.gz WXFCMNNAVOZQGA-MRXNPFEDSA-N 0 1 296.414 2.782 20 30 CFEDMN C=C(C)CN1CCC[C@H]1CNC(=O)c1ccc(C(F)F)o1 ZINC001028290886 776830190 /nfs/dbraw/zinc/83/01/90/776830190.db2.gz XMSICYZREDBRFD-NSHDSACASA-N 0 1 298.333 2.988 20 30 CFEDMN CC#CCN1CCC(NC(=O)[C@H](C)[C@@H](C)C(C)(C)C)CC1 ZINC001229574345 776850564 /nfs/dbraw/zinc/85/05/64/776850564.db2.gz AGIPYBQXJNTGQL-HUUCEWRRSA-N 0 1 292.467 2.909 20 30 CFEDMN C#CCN1CCC(NC(=O)[C@H](C)[C@@H](C)C(C)(C)C)CC1 ZINC001229584013 776851874 /nfs/dbraw/zinc/85/18/74/776851874.db2.gz ROLHRIFBQJPRCV-ZIAGYGMSSA-N 0 1 278.440 2.519 20 30 CFEDMN C#CCN1CCC(NC(=O)[C@@H](C)[C@@H](C)C(C)(C)C)CC1 ZINC001229584012 776852075 /nfs/dbraw/zinc/85/20/75/776852075.db2.gz ROLHRIFBQJPRCV-UONOGXRCSA-N 0 1 278.440 2.519 20 30 CFEDMN C=CC(C)(C)C(=O)N(CC)CCNCc1nc(C)cs1 ZINC001268470158 776855220 /nfs/dbraw/zinc/85/52/20/776855220.db2.gz VCSWBBYEQDGENF-UHFFFAOYSA-N 0 1 295.452 2.602 20 30 CFEDMN CC#CCN1CCC[C@H]1CNC(=O)c1ccoc1C(C)C ZINC001028344554 776865988 /nfs/dbraw/zinc/86/59/88/776865988.db2.gz JVDNQNRHEOHCFX-AWEZNQCLSA-N 0 1 288.391 2.621 20 30 CFEDMN C=C(Cl)CNC/C=C/CNC(=O)C1CCCCC1 ZINC001268505899 776904495 /nfs/dbraw/zinc/90/44/95/776904495.db2.gz BJGGAPMUGKLSDP-AATRIKPKSA-N 0 1 270.804 2.581 20 30 CFEDMN CC#CCN1CCC(NC(=O)C[C@H](C)CC(C)C)CC1 ZINC001230000692 776936348 /nfs/dbraw/zinc/93/63/48/776936348.db2.gz YEANSCWWYLBYHS-OAHLLOKOSA-N 0 1 278.440 2.663 20 30 CFEDMN CC#CCN1CCC(NC(=O)C[C@@H](C)CC(C)C)CC1 ZINC001230000690 776936589 /nfs/dbraw/zinc/93/65/89/776936589.db2.gz YEANSCWWYLBYHS-HNNXBMFYSA-N 0 1 278.440 2.663 20 30 CFEDMN C=CC[C@H](Oc1nc(C(=O)OC)c[n-]1)c1ccccc1 ZINC001230281714 776971192 /nfs/dbraw/zinc/97/11/92/776971192.db2.gz FEPIUMUCHNBRHV-ZDUSSCGKSA-N 0 1 272.304 2.893 20 30 CFEDMN C=C[C@@H](C(=O)NC1CCN(CC#CC)CC1)c1ccccc1 ZINC001230333998 776980493 /nfs/dbraw/zinc/98/04/93/776980493.db2.gz BTEQSDJCYXBYQJ-GOSISDBHSA-N 0 1 296.414 2.560 20 30 CFEDMN C#C[C@H](CCC)Oc1cc2[nH]ncc2cc1[N+](=O)[O-] ZINC001230600481 777023458 /nfs/dbraw/zinc/02/34/58/777023458.db2.gz FDIFLBWJPXSOBP-SNVBAGLBSA-N 0 1 259.265 2.652 20 30 CFEDMN CC#CCN(C)C[C@@H](C)NC(=O)CC/C=C\c1ccccc1 ZINC001268745593 777042612 /nfs/dbraw/zinc/04/26/12/777042612.db2.gz FGHSGQOGKROACE-HOFZKYPUSA-N 0 1 298.430 2.940 20 30 CFEDMN CC#CCN(C)C[C@H](C)NC(=O)CC/C=C/c1ccccc1 ZINC001268745597 777043282 /nfs/dbraw/zinc/04/32/82/777043282.db2.gz FGHSGQOGKROACE-VEMDQMBVSA-N 0 1 298.430 2.940 20 30 CFEDMN C=CCC(C)(C)C(=O)N[C@@H](C)CN(C)Cc1cccnc1 ZINC001268748877 777044538 /nfs/dbraw/zinc/04/45/38/777044538.db2.gz MURXQROYMFLGPR-AWEZNQCLSA-N 0 1 289.423 2.620 20 30 CFEDMN C=CCCN1CC(N(C)C(=O)CC2CCCCC2)C1 ZINC001042451314 777044789 /nfs/dbraw/zinc/04/47/89/777044789.db2.gz GHSQEAWDBUNKFL-UHFFFAOYSA-N 0 1 264.413 2.676 20 30 CFEDMN CC#CCN(C)C[C@H](C)NC(=O)[C@](C)(CC)CCC ZINC001268753250 777045760 /nfs/dbraw/zinc/04/57/60/777045760.db2.gz UAXIODKGDBMEIW-GOEBONIOSA-N 0 1 266.429 2.663 20 30 CFEDMN C=C[C@@H](CC)Oc1[nH]c(=O)nc2ccc(OC)cc21 ZINC001230854018 777076379 /nfs/dbraw/zinc/07/63/79/777076379.db2.gz PWUDKUJBKIDSHH-VIFPVBQESA-N 0 1 260.293 2.687 20 30 CFEDMN C#C[C@@H](Oc1[nH]c(=O)nc2cc(F)ccc21)C(C)C ZINC001230883774 777082110 /nfs/dbraw/zinc/08/21/10/777082110.db2.gz MKHPNXZQZCTCCB-GFCCVEGCSA-N 0 1 260.268 2.511 20 30 CFEDMN C#C[C@H]1CCC[C@@H]1Oc1[nH]c(=O)nc2cc(C)ccc21 ZINC001230889219 777083687 /nfs/dbraw/zinc/08/36/87/777083687.db2.gz SRNJZTFYCREWKN-FZMZJTMJSA-N 0 1 268.316 2.825 20 30 CFEDMN C=C[C@H](Oc1nncc2n[nH]cc21)c1ccccc1 ZINC001230902044 777088397 /nfs/dbraw/zinc/08/83/97/777088397.db2.gz XOQBJGLJTHQFLP-ZDUSSCGKSA-N 0 1 252.277 2.659 20 30 CFEDMN C=CCC[C@@H](C)N1CC[C@H]1CN(C)C(=O)c1cncs1 ZINC001230916084 777092191 /nfs/dbraw/zinc/09/21/91/777092191.db2.gz LCBZCTKEFBKUJR-OLZOCXBDSA-N 0 1 293.436 2.644 20 30 CFEDMN N#C[C@H](Oc1nc(Cl)nc2[nH]ncc21)c1ccccc1 ZINC001231046772 777124717 /nfs/dbraw/zinc/12/47/17/777124717.db2.gz DLBSKHWNTVKGAE-JTQLQIEISA-N 0 1 285.694 2.650 20 30 CFEDMN C=CC(C)(C)C(=O)NC[C@@H]1CCN1CCc1ccccc1 ZINC001269273567 777155806 /nfs/dbraw/zinc/15/58/06/777155806.db2.gz ZSTGSXYAJJTFSG-INIZCTEOSA-N 0 1 286.419 2.632 20 30 CFEDMN C=C(C)CN1CC[C@@H]1CN(C)C(=O)C[C@H](C)C(C)C ZINC001231177947 777167239 /nfs/dbraw/zinc/16/72/39/777167239.db2.gz GUBUUUCZIRDJQR-LSDHHAIUSA-N 0 1 266.429 2.777 20 30 CFEDMN C#CCCN1CC[C@@H]1CNC(=O)[C@@H](C)c1ccc(CC)cc1 ZINC001269321099 777169123 /nfs/dbraw/zinc/16/91/23/777169123.db2.gz OVQZAJFXKULZOA-MAUKXSAKSA-N 0 1 298.430 2.566 20 30 CFEDMN C=C(C)CN1CC[C@@H]1CNC(=O)C[C@H](C)CC(C)C ZINC001269330864 777172931 /nfs/dbraw/zinc/17/29/31/777172931.db2.gz GIBPGHYYEUMDOX-HUUCEWRRSA-N 0 1 266.429 2.825 20 30 CFEDMN C=CC[C@@H](C=C)Oc1[nH]c(=O)nc2c(OC)cccc12 ZINC001231347455 777197696 /nfs/dbraw/zinc/19/76/96/777197696.db2.gz LPSQNIPNWUAMSG-SNVBAGLBSA-N 0 1 272.304 2.854 20 30 CFEDMN C#CCN(C)CCN(C(=O)[C@@H]1CCC[C@H](C)C1)C(C)C ZINC001284543881 777209121 /nfs/dbraw/zinc/20/91/21/777209121.db2.gz AOYARXGCTFURCY-JKSUJKDBSA-N 0 1 278.440 2.615 20 30 CFEDMN CCCCCCCN1CC(N(C)C(=O)C[C@H]2CCCO2)C1 ZINC001269754927 777244090 /nfs/dbraw/zinc/24/40/90/777244090.db2.gz GLKRMZQMWNNQEF-MRXNPFEDSA-N 0 1 296.455 2.669 20 30 CFEDMN C=CCC[C@H](C)N1CC(N(C)C(=O)C(C)(C)C=C)C1 ZINC001269831467 777254352 /nfs/dbraw/zinc/25/43/52/777254352.db2.gz HWSAZYHKSAHEJM-ZDUSSCGKSA-N 0 1 264.413 2.696 20 30 CFEDMN C=CCCCN1CC(N(C)C(=O)[C@@H]2C[C@@]2(C)C(C)C)C1 ZINC001269867212 777262092 /nfs/dbraw/zinc/26/20/92/777262092.db2.gz USQUISISPHGLNH-RDJZCZTQSA-N 0 1 278.440 2.777 20 30 CFEDMN C=CCCCCCN1CC(N(C)C(=O)C2CCC2)C1 ZINC001277538605 777268713 /nfs/dbraw/zinc/26/87/13/777268713.db2.gz RRMWLRMBFGSEEG-UHFFFAOYSA-N 0 1 264.413 2.676 20 30 CFEDMN C=C(C)CCC(=O)N1CC[C@H](NCc2ccon2)C[C@H]1C ZINC001269939895 777277119 /nfs/dbraw/zinc/27/71/19/777277119.db2.gz ZKKWEBFMGFCIHQ-KGLIPLIRSA-N 0 1 291.395 2.500 20 30 CFEDMN N#C[C@@H]1CN(Cc2nc(-c3ccccc3)cs2)CCC1=O ZINC001231684517 777308426 /nfs/dbraw/zinc/30/84/26/777308426.db2.gz WLNFXIBZBNJODI-CYBMUJFWSA-N 0 1 297.383 2.725 20 30 CFEDMN CN(CCC#N)c1ccc(CN2CCCC(=O)CC2)cc1 ZINC001231817411 777342844 /nfs/dbraw/zinc/34/28/44/777342844.db2.gz JUWWARSYRFLWEU-UHFFFAOYSA-N 0 1 285.391 2.591 20 30 CFEDMN C#CCN1CCC(C)(NC(=O)C[C@H]2CCCC[C@@H]2C)CC1 ZINC001270266845 777345092 /nfs/dbraw/zinc/34/50/92/777345092.db2.gz ROBXUKOJGLHLOF-JKSUJKDBSA-N 0 1 290.451 2.807 20 30 CFEDMN C=CCC[C@H](C)N1CC(N(C)C(=O)[C@H]2[C@@H]3CCC[C@@H]32)C1 ZINC001277575479 777345623 /nfs/dbraw/zinc/34/56/23/777345623.db2.gz LGVXOUPLRMHJGZ-ARLBYUKCSA-N 0 1 276.424 2.530 20 30 CFEDMN C#C[C@@H]1CCCN(Cc2cccnc2OCCC)C1 ZINC001231864394 777357283 /nfs/dbraw/zinc/35/72/83/777357283.db2.gz OWVKMNQVYYYVIK-CQSZACIVSA-N 0 1 258.365 2.716 20 30 CFEDMN C=CC(C)(C)C(=O)NC[C@@H](C)CN[C@H](C)c1ncc(C)o1 ZINC001270478141 777391266 /nfs/dbraw/zinc/39/12/66/777391266.db2.gz MODHCSSGDGTWJO-WCQYABFASA-N 0 1 293.411 2.598 20 30 CFEDMN C[C@@H]1CN(Cc2ccc(C#N)c(Cl)c2)CC[C@]1(C)O ZINC001232111101 777442924 /nfs/dbraw/zinc/44/29/24/777442924.db2.gz AJDYNHKNXLRPQP-ABAIWWIYSA-N 0 1 278.783 2.804 20 30 CFEDMN C=CCN1CCN(Cc2ccnc3c(F)cccc23)CC1 ZINC001232208909 777471689 /nfs/dbraw/zinc/47/16/89/777471689.db2.gz ITCBXTRETSDHNA-UHFFFAOYSA-N 0 1 285.366 2.678 20 30 CFEDMN C=C(Cl)CN1CCC(C)(CNC(=O)C=C(C)C)CC1 ZINC001270860347 777542488 /nfs/dbraw/zinc/54/24/88/777542488.db2.gz JXQLCLRAIJOFJI-UHFFFAOYSA-N 0 1 284.831 2.923 20 30 CFEDMN C=CCCCN1CC(N(C)C(=O)c2cc(C)cc(F)c2)C1 ZINC001277666979 777564272 /nfs/dbraw/zinc/56/42/72/777564272.db2.gz ZQYIFVJFAIJGJX-UHFFFAOYSA-N 0 1 290.382 2.857 20 30 CFEDMN C=CCCCCCCCC(=O)N1CC2(CN(C)C2)C1 ZINC001270883537 777572731 /nfs/dbraw/zinc/57/27/31/777572731.db2.gz AKJKZDLVIIJFIP-UHFFFAOYSA-N 0 1 264.413 2.677 20 30 CFEDMN CC[N@@H+](Cc1cccc(OC)c1)Cc1cc(C#N)ccn1 ZINC001232477948 777574467 /nfs/dbraw/zinc/57/44/67/777574467.db2.gz FLUHBXGPSVPBAY-UHFFFAOYSA-N 0 1 281.359 2.984 20 30 CFEDMN CCN(Cc1cccc(OC)c1)Cc1cc(C#N)ccn1 ZINC001232477948 777574472 /nfs/dbraw/zinc/57/44/72/777574472.db2.gz FLUHBXGPSVPBAY-UHFFFAOYSA-N 0 1 281.359 2.984 20 30 CFEDMN N#C[C@@H]1CCCN(Cc2cc3ccoc3cn2)CC1 ZINC001232554400 777602264 /nfs/dbraw/zinc/60/22/64/777602264.db2.gz UKFUCTPVLZVSNG-GFCCVEGCSA-N 0 1 255.321 2.953 20 30 CFEDMN C#CCN1CCC[C@@](C)(CNC(=O)CC2CCCCC2)C1 ZINC001270932212 777607555 /nfs/dbraw/zinc/60/75/55/777607555.db2.gz JXWFLSZROQJEIF-SFHVURJKSA-N 0 1 290.451 2.808 20 30 CFEDMN C#CCN1CCC[C@](C)(CNC(=O)C2(CCC)CCC2)C1 ZINC001270982680 777619789 /nfs/dbraw/zinc/61/97/89/777619789.db2.gz KJODZNPVQZBCQX-QGZVFWFLSA-N 0 1 290.451 2.808 20 30 CFEDMN C[N@@H+](Cc1cnc2ccccn12)Cc1cc(C#N)ccc1[O-] ZINC001232673640 777637260 /nfs/dbraw/zinc/63/72/60/777637260.db2.gz KIIADLSBVMTWPY-UHFFFAOYSA-N 0 1 292.342 2.544 20 30 CFEDMN N#Cc1ccc([O-])c(C[N@@H+]2[C@@H]3CC[C@H]2C[C@H](C#N)C3)c1 ZINC001232678630 777639865 /nfs/dbraw/zinc/63/98/65/777639865.db2.gz KTTQYLUXWWXARO-XMQYKBBCSA-N 0 1 267.332 2.530 20 30 CFEDMN COCC[C@@H]1CCCC[N@H+]1Cc1cc(C#N)ccc1[O-] ZINC001232679758 777640311 /nfs/dbraw/zinc/64/03/11/777640311.db2.gz ROQLRAPXJZHHRJ-HNNXBMFYSA-N 0 1 274.364 2.655 20 30 CFEDMN C=CCN1CCC(F)(F)[C@H](CNC(=O)C(CC)CC)C1 ZINC001271086376 777646298 /nfs/dbraw/zinc/64/62/98/777646298.db2.gz LTKFUGJHHSYKID-CYBMUJFWSA-N 0 1 288.382 2.682 20 30 CFEDMN C[N@H+](Cc1ccc(C#N)cc1)Cc1ccc(CCO)cc1 ZINC001232778708 777663631 /nfs/dbraw/zinc/66/36/31/777663631.db2.gz XLYAKEPIAYEPHV-UHFFFAOYSA-N 0 1 280.371 2.725 20 30 CFEDMN C=CCN1CC[C@H](NC(=O)c2cc(C(C)C)on2)[C@H]1CC ZINC001087675072 777676876 /nfs/dbraw/zinc/67/68/76/777676876.db2.gz SLJIOYNIEGHPSO-GXTWGEPZSA-N 0 1 291.395 2.567 20 30 CFEDMN CCCO[C@H]1CCN(Cc2ccc(C#N)s2)C1 ZINC001232843791 777690211 /nfs/dbraw/zinc/69/02/11/777690211.db2.gz COKRUEMBPPXKAO-NSHDSACASA-N 0 1 250.367 2.621 20 30 CFEDMN N#Cc1ccc(C[N@@H+]2[C@@H]3CC[C@H]2C[C@H](C#N)C3)s1 ZINC001232844878 777691732 /nfs/dbraw/zinc/69/17/32/777691732.db2.gz ANHMJHTYPUWUGQ-CNDDSTCGSA-N 0 1 257.362 2.886 20 30 CFEDMN N#Cc1ccc(CN2[C@@H]3CC[C@H]2C[C@H](C#N)C3)s1 ZINC001232844878 777691738 /nfs/dbraw/zinc/69/17/38/777691738.db2.gz ANHMJHTYPUWUGQ-CNDDSTCGSA-N 0 1 257.362 2.886 20 30 CFEDMN CC#CCN1CC[C@H](NC(=O)[C@H](C)C2CCCC2)[C@H]1CC ZINC001087791694 777699138 /nfs/dbraw/zinc/69/91/38/777699138.db2.gz VDTBWZGPXIBGOE-HYVNUMGLSA-N 0 1 290.451 2.805 20 30 CFEDMN C#C[C@H]1CCCN(Cc2ccc(OC(F)F)nc2)C1 ZINC001232956115 777737541 /nfs/dbraw/zinc/73/75/41/777737541.db2.gz QRZWMGJAIROTDO-NSHDSACASA-N 0 1 266.291 2.528 20 30 CFEDMN CCCO[C@H]1CCN(Cc2ccc(C)cc2C#N)C1 ZINC001232966692 777742771 /nfs/dbraw/zinc/74/27/71/777742771.db2.gz RKEWGTTXISSUMG-INIZCTEOSA-N 0 1 258.365 2.868 20 30 CFEDMN COC(=O)[C@H]1CCCN(Cc2ccc(C)cc2C#N)[C@@H]1C ZINC001232967302 777743477 /nfs/dbraw/zinc/74/34/77/777743477.db2.gz HWSUBBFZKSQCGD-CJNGLKHVSA-N 0 1 286.375 2.640 20 30 CFEDMN CO[C@H]1CCN(Cc2ccc(C)cc2C#N)[C@@H](C)C1 ZINC001232969533 777743980 /nfs/dbraw/zinc/74/39/80/777743980.db2.gz SCQZDLSSJDZXID-BBRMVZONSA-N 0 1 258.365 2.866 20 30 CFEDMN CCCC[C@@H](C)C(=O)NCCNCc1ccccc1C#N ZINC001126561725 777765210 /nfs/dbraw/zinc/76/52/10/777765210.db2.gz SJCICBOZEHUUQR-CQSZACIVSA-N 0 1 287.407 2.590 20 30 CFEDMN C[C@H]1CN(Cc2[nH]ccc2C#N)CCN1Cc1ccccc1 ZINC001233047624 777776050 /nfs/dbraw/zinc/77/60/50/777776050.db2.gz FODSMVCUUCGPEJ-HNNXBMFYSA-N 0 1 294.402 2.593 20 30 CFEDMN CN(C)c1ccc(CN2CCCC23CC3)c(F)c1C#N ZINC001233096810 777794517 /nfs/dbraw/zinc/79/45/17/777794517.db2.gz LMDZQIJNEMLRLH-UHFFFAOYSA-N 0 1 273.355 2.892 20 30 CFEDMN C[C@H]1CCCN1Cc1ccc(N(C)C)c(C#N)c1F ZINC001233097533 777795325 /nfs/dbraw/zinc/79/53/25/777795325.db2.gz TXJIUSKEBQMRMH-NSHDSACASA-N 0 1 261.344 2.748 20 30 CFEDMN N#C[C@H]1CCC[N@H+](Cc2c([O-])ccc(F)c2F)CC1 ZINC001233335378 777892989 /nfs/dbraw/zinc/89/29/89/777892989.db2.gz SJUXNSPVMMZQPQ-JTQLQIEISA-N 0 1 266.291 2.796 20 30 CFEDMN C[N@@H+](Cc1ccccc1)Cc1ccc(C#N)cc1[O-] ZINC001233383518 777927141 /nfs/dbraw/zinc/92/71/41/777927141.db2.gz KXNDYUOQDYJJAW-UHFFFAOYSA-N 0 1 252.317 2.896 20 30 CFEDMN C=C1O[C@@H](C)C(=O)C1Oc1ccc(C(=O)OCC)c(F)c1 ZINC001233593152 778002762 /nfs/dbraw/zinc/00/27/62/778002762.db2.gz HKHIJRWWJIUXEC-QMMMGPOBSA-N 0 1 294.278 2.601 20 30 CFEDMN C=C1O[C@@H](C)C(=O)C1Oc1ccc(OC(F)F)cc1 ZINC001233649140 778023108 /nfs/dbraw/zinc/02/31/08/778023108.db2.gz JISWQOKFOMAUOI-ZETCQYMHSA-N 0 1 270.231 2.886 20 30 CFEDMN CC/C(C)=C/C(=O)N(C)C[C@@H](C)NCc1ccccc1C#N ZINC001277809098 778085884 /nfs/dbraw/zinc/08/58/84/778085884.db2.gz FHFZJKOVEAMUOJ-YVGNARHYSA-N 0 1 299.418 2.851 20 30 CFEDMN C#C[C@H](CC(C)C)Oc1nc2cccc(C(=O)OC)c2[nH]1 ZINC001234044914 778150290 /nfs/dbraw/zinc/15/02/90/778150290.db2.gz QMRWMZYIKAFBIH-LLVKDONJSA-N 0 1 286.331 2.776 20 30 CFEDMN C=C1O[C@@H](CC)C(=O)C1Oc1ccc(OC(C)C)nc1 ZINC001234048317 778153080 /nfs/dbraw/zinc/15/30/80/778153080.db2.gz IYTFDVSVRYFZAW-LBPRGKRZSA-N 0 1 277.320 2.857 20 30 CFEDMN C=C(C)CN1CC[C@H]1CNC(=O)C1CCCCCC1 ZINC001038105218 778173191 /nfs/dbraw/zinc/17/31/91/778173191.db2.gz QKDSVOICRRNOIB-HNNXBMFYSA-N 0 1 264.413 2.723 20 30 CFEDMN CC#CCN(C)CCN(C)C(=O)c1ccc(C2CCC2)cc1 ZINC001272033284 778185925 /nfs/dbraw/zinc/18/59/25/778185925.db2.gz JEYDHAZWLNIMLV-UHFFFAOYSA-N 0 1 298.430 2.981 20 30 CFEDMN CO[C@H]1CCCC[C@@H]1Oc1[nH]c(=O)nc2cccc(C#N)c21 ZINC001234513027 778240897 /nfs/dbraw/zinc/24/08/97/778240897.db2.gz HQMYLHORJIDSMD-STQMWFEESA-N 0 1 299.330 2.543 20 30 CFEDMN C#C[C@@H](CC(C)C)Oc1[nH]c(=O)nc2ccc(C#N)cc21 ZINC001234530964 778246202 /nfs/dbraw/zinc/24/62/02/778246202.db2.gz POXMSXQNCFOJTC-LBPRGKRZSA-N 0 1 281.315 2.634 20 30 CFEDMN C=C1O[C@H](C)C(=O)C1Oc1cc(OC)cc(OC)c1Cl ZINC001234884217 778321084 /nfs/dbraw/zinc/32/10/84/778321084.db2.gz IWKOCARGDPTGNP-SSDOTTSWSA-N 0 1 298.722 2.955 20 30 CFEDMN C=C(Cl)CN[C@H](C)CN(C)C(=O)CC(C)=C(C)C ZINC001277906747 778326762 /nfs/dbraw/zinc/32/67/62/778326762.db2.gz FNOVTUIMXAHMMX-CYBMUJFWSA-N 0 1 272.820 2.922 20 30 CFEDMN C=CCN1CC[C@H](NC(=O)c2ccc3oc(C)nc3c2)[C@H]1C ZINC001088650734 778375362 /nfs/dbraw/zinc/37/53/62/778375362.db2.gz BSXLBIZOVFNIDV-RISCZKNCSA-N 0 1 299.374 2.515 20 30 CFEDMN C=CCN1CCCN(C(=O)[C@H]2CC[C@H](CC)CC2)CC1 ZINC000989523092 778415138 /nfs/dbraw/zinc/41/51/38/778415138.db2.gz ITSXZCUGLLISCW-WKILWMFISA-N 0 1 278.440 2.923 20 30 CFEDMN C#CCC1(C(=O)N(C)C[C@@H]2CCN2CC=C(C)C)CCC1 ZINC001235210806 778416253 /nfs/dbraw/zinc/41/62/53/778416253.db2.gz XCGMUWYFTGIKAK-INIZCTEOSA-N 0 1 288.435 2.679 20 30 CFEDMN C=C(C)C[N@H+]1CCCN(C(=O)CCc2cccs2)CC1 ZINC000989636630 778420273 /nfs/dbraw/zinc/42/02/73/778420273.db2.gz NPOGNARFIRGFKX-UHFFFAOYSA-N 0 1 292.448 2.791 20 30 CFEDMN CC(C)N1CC(Nc2cc(Cl)ccc2CC#N)C1 ZINC001168317004 778427617 /nfs/dbraw/zinc/42/76/17/778427617.db2.gz CWKYQBCCCHUZDP-UHFFFAOYSA-N 0 1 263.772 2.911 20 30 CFEDMN C=C(C)CN1CC[C@H]1CN(C)C(=O)CCc1ccsc1 ZINC001235372673 778471164 /nfs/dbraw/zinc/47/11/64/778471164.db2.gz AMRASBFGTLSXHJ-HNNXBMFYSA-N 0 1 292.448 2.790 20 30 CFEDMN N#C[C@H](C(=O)Nc1ccccc1)C(=O)[C@@H]1CC1(Cl)Cl ZINC000128109961 778480387 /nfs/dbraw/zinc/48/03/87/778480387.db2.gz YALZHXCRFFEXTK-UWVGGRQHSA-N 0 1 297.141 2.528 20 30 CFEDMN C=C(Cl)CN[C@H]1CCCN(C(=O)[C@]23C[C@H]2CCCC3)C1 ZINC001030021152 778495970 /nfs/dbraw/zinc/49/59/70/778495970.db2.gz GNMYBHQTABAXFA-IJEWVQPXSA-N 0 1 296.842 2.900 20 30 CFEDMN CCc1ccc(NC(=O)C(C#N)C(=O)c2ccco2)cc1 ZINC000128359432 778505268 /nfs/dbraw/zinc/50/52/68/778505268.db2.gz NQWVRJBBWFGGKR-ZDUSSCGKSA-N 0 1 282.299 2.803 20 30 CFEDMN N#C[C@@H]1CN(Cc2ccccc2-c2ccncc2)CCC1=O ZINC001235625568 778525600 /nfs/dbraw/zinc/52/56/00/778525600.db2.gz FIOMGXSRMQMUKQ-MRXNPFEDSA-N 0 1 291.354 2.663 20 30 CFEDMN C=CC[C@@H](NC(=O)[C@H]1CC2CCN1CC2)c1ccccc1 ZINC001142637178 778537755 /nfs/dbraw/zinc/53/77/55/778537755.db2.gz ATJGTFXKDJRQCV-IAGOWNOFSA-N 0 1 284.403 2.904 20 30 CFEDMN C=CCN1CC[C@H](NC(=O)c2cc3ccccc3n2C)[C@H]1C ZINC001088825261 778540074 /nfs/dbraw/zinc/54/00/74/778540074.db2.gz XXTGTIVWMYXAGV-HIFRSBDPSA-N 0 1 297.402 2.557 20 30 CFEDMN N#CCC1CCN(Cc2nc3ccc(F)cc3[nH]2)CC1 ZINC001235699046 778542027 /nfs/dbraw/zinc/54/20/27/778542027.db2.gz ZSTIBAFWSLHPTH-UHFFFAOYSA-N 0 1 272.327 2.828 20 30 CFEDMN C=CCN1CC[C@H](NC(=O)c2ccc(F)c(Cl)c2)[C@H]1C ZINC001088827628 778548244 /nfs/dbraw/zinc/54/82/44/778548244.db2.gz ZARAUAXVUQZWEN-YGRLFVJLSA-N 0 1 296.773 2.858 20 30 CFEDMN C=CCN1CC[C@H](NC(=O)c2ccc3[nH]ccc3c2)[C@H]1C ZINC001088829614 778553617 /nfs/dbraw/zinc/55/36/17/778553617.db2.gz AEEMALKDCKSZAT-DOMZBBRYSA-N 0 1 283.375 2.547 20 30 CFEDMN C=CCN1CC[C@H](NC(=O)c2ccc3ncccc3c2)[C@H]1C ZINC001088834757 778601994 /nfs/dbraw/zinc/60/19/94/778601994.db2.gz LISBXYDKTVEJDO-CJNGLKHVSA-N 0 1 295.386 2.613 20 30 CFEDMN COc1ccccc1NC(=O)C(C#N)C(=O)CC(C)(C)C ZINC000129807232 778837441 /nfs/dbraw/zinc/83/74/41/778837441.db2.gz YWHQDWHLKUDAEN-LLVKDONJSA-N 0 1 288.347 2.779 20 30 CFEDMN COc1ccccc1NC(=O)C(C#N)C(=O)CC(C)(C)C ZINC000129807437 778837554 /nfs/dbraw/zinc/83/75/54/778837554.db2.gz YWHQDWHLKUDAEN-NSHDSACASA-N 0 1 288.347 2.779 20 30 CFEDMN CC#CCN1CC(C)(C)CC[C@H]1CNC(=O)/C(C)=C\C ZINC001099016829 778914749 /nfs/dbraw/zinc/91/47/49/778914749.db2.gz NVVIETCMSVZFMI-GSHXUFRSSA-N 0 1 276.424 2.583 20 30 CFEDMN N#Cc1cnc(CN[C@@H]2CCc3cc(F)ccc3C2)s1 ZINC001168415401 778922019 /nfs/dbraw/zinc/92/20/19/778922019.db2.gz PNKADRHMWZGVOY-CYBMUJFWSA-N 0 1 287.363 2.801 20 30 CFEDMN C=CCN1CC[C@H](NC(=O)c2cc([C@H](C)CC)no2)[C@H]1C ZINC001088906898 778943125 /nfs/dbraw/zinc/94/31/25/778943125.db2.gz QVOZTCTYPCILSS-UPJWGTAASA-N 0 1 291.395 2.567 20 30 CFEDMN C#C[C@H]1CCC[N@@H+](Cc2c([O-])cc(OC)cc2Cl)C1 ZINC001236804619 778945747 /nfs/dbraw/zinc/94/57/47/778945747.db2.gz WKJJJKPZHIUBGJ-NSHDSACASA-N 0 1 279.767 2.899 20 30 CFEDMN C#C[C@H]1CCC[N@H+](Cc2c([O-])cc(OC)cc2Cl)C1 ZINC001236804619 778945751 /nfs/dbraw/zinc/94/57/51/778945751.db2.gz WKJJJKPZHIUBGJ-NSHDSACASA-N 0 1 279.767 2.899 20 30 CFEDMN COc1ccc(CN(CCC#N)CCC#N)c(O)c1Cl ZINC001236808439 778949418 /nfs/dbraw/zinc/94/94/18/778949418.db2.gz ZNSLZALCWWNTPG-UHFFFAOYSA-N 0 1 293.754 2.684 20 30 CFEDMN N#C[C@@H]1CCN(Cc2cc3ccccc3cc2O)C1 ZINC001236833966 778959509 /nfs/dbraw/zinc/95/95/09/778959509.db2.gz RJSRDRLHMXEKJL-LBPRGKRZSA-N 0 1 252.317 2.891 20 30 CFEDMN CC#CCN1CC[C@H](NC(=O)[C@H](C)c2ccccc2C)[C@H]1C ZINC001089055362 778982930 /nfs/dbraw/zinc/98/29/30/778982930.db2.gz HGXYXYUCTGUEGA-NUJGCVRESA-N 0 1 298.430 2.701 20 30 CFEDMN N#CCC1CCN(Cc2sc(=O)[nH]c2Cl)CC1 ZINC001237150599 779026342 /nfs/dbraw/zinc/02/63/42/779026342.db2.gz ICJIVNXZZJXKAN-UHFFFAOYSA-N 0 1 271.773 2.628 20 30 CFEDMN CCCCCCCN1CC2(C1)COCC(=O)N2[C@@H](C)CC ZINC001272476877 779119892 /nfs/dbraw/zinc/11/98/92/779119892.db2.gz RYMAWNXOMHHTNG-HNNXBMFYSA-N 0 1 296.455 2.669 20 30 CFEDMN C[C@]1(C#N)CCN([C@H]2CCc3cc(F)ccc3C2)C1 ZINC001168444180 779135334 /nfs/dbraw/zinc/13/53/34/779135334.db2.gz FYOCAAUVWIZKSR-JKSUJKDBSA-N 0 1 258.340 2.919 20 30 CFEDMN C=C(Cl)CN1CC[C@H](NC(=O)C2CC2)CC(C)(C)C1 ZINC001089291851 779137510 /nfs/dbraw/zinc/13/75/10/779137510.db2.gz YQIGRGPGOQFTCC-ZDUSSCGKSA-N 0 1 284.831 2.756 20 30 CFEDMN C[C@H]1CN(Cc2cc(Cl)cc(C#N)c2)CCC[C@@H]1O ZINC001237745679 779173084 /nfs/dbraw/zinc/17/30/84/779173084.db2.gz HQOKVVXYUMKFSL-NHYWBVRUSA-N 0 1 278.783 2.804 20 30 CFEDMN C[C@@H]1CN(Cc2cc(Cl)cc(C#N)c2)CC[C@]1(C)O ZINC001237746349 779173129 /nfs/dbraw/zinc/17/31/29/779173129.db2.gz LPEBXKMFDLADLU-ABAIWWIYSA-N 0 1 278.783 2.804 20 30 CFEDMN C[C@@H]1CCCN(Cc2cc(Cl)cc(C#N)c2)[C@H]1CO ZINC001237747584 779173151 /nfs/dbraw/zinc/17/31/51/779173151.db2.gz YEOAHDFPPOBMBH-ABAIWWIYSA-N 0 1 278.783 2.804 20 30 CFEDMN CC#CCN1CC(C)(C)CC[C@H]1CNC(=O)[C@@H](F)C(C)C ZINC001099188793 779193738 /nfs/dbraw/zinc/19/37/38/779193738.db2.gz JYBIAJOVXLFLNV-GJZGRUSLSA-N 0 1 296.430 2.611 20 30 CFEDMN C=CCN(CC=C)Cc1cccc(OCC(=O)OCC)c1 ZINC001237919757 779207728 /nfs/dbraw/zinc/20/77/28/779207728.db2.gz RLBVALIHSQDNGY-UHFFFAOYSA-N 0 1 289.375 2.803 20 30 CFEDMN N#C[C@H]1CCN(Cc2n[nH]c3cc(Cl)ccc32)C1 ZINC001238001153 779226622 /nfs/dbraw/zinc/22/66/22/779226622.db2.gz SHZMHCFQPRKWMV-SECBINFHSA-N 0 1 260.728 2.562 20 30 CFEDMN N#Cc1cc(CN2CCC[C@@](O)(CF)CC2)ccc1Cl ZINC001238189583 779274249 /nfs/dbraw/zinc/27/42/49/779274249.db2.gz SRIQHKVAGDOLLE-HNNXBMFYSA-N 0 1 296.773 2.898 20 30 CFEDMN N#Cc1cc(CN2CCCC[C@@](O)(CF)C2)ccc1Cl ZINC001238189790 779275177 /nfs/dbraw/zinc/27/51/77/779275177.db2.gz WPNXXXBYCFZXON-OAHLLOKOSA-N 0 1 296.773 2.898 20 30 CFEDMN N#CCc1cc(N[C@H](c2ccccn2)C(F)(F)F)ccn1 ZINC001168488401 779301553 /nfs/dbraw/zinc/30/15/53/779301553.db2.gz YLGLQPXHTMLWSG-CYBMUJFWSA-N 0 1 292.264 2.680 20 30 CFEDMN CCN(Cc1cccnc1)Cc1ccc(C#N)c(OC)c1 ZINC001238407888 779307928 /nfs/dbraw/zinc/30/79/28/779307928.db2.gz SUWJCYLFQRFYPR-UHFFFAOYSA-N 0 1 281.359 2.984 20 30 CFEDMN CCCOC1CCN(Cc2ccc(C#N)c(OC)c2)CC1 ZINC001238406729 779307931 /nfs/dbraw/zinc/30/79/31/779307931.db2.gz IBHMTNCINNHWML-UHFFFAOYSA-N 0 1 288.391 2.958 20 30 CFEDMN CCn1ccnc1C(C#N)C(=O)[C@@]12C[C@@H]1CCCC2 ZINC001123233976 779363741 /nfs/dbraw/zinc/36/37/41/779363741.db2.gz PVDWBTROOPALDE-ZOWXZIJZSA-N 0 1 257.337 2.660 20 30 CFEDMN CC#CCN(C)Cc1ccccc1CNC(=O)c1ccoc1 ZINC001272663573 779438490 /nfs/dbraw/zinc/43/84/90/779438490.db2.gz QUHHPKLOWZURFL-UHFFFAOYSA-N 0 1 296.370 2.665 20 30 CFEDMN C=C(C)CCN1CC(NC(=O)c2c[nH]c3ccc(C)cc23)C1 ZINC001031448716 779458991 /nfs/dbraw/zinc/45/89/91/779458991.db2.gz FIIYJGHOIGPGJV-UHFFFAOYSA-N 0 1 297.402 2.857 20 30 CFEDMN CC#CCN(C)C[C@H]1CCCN1C(=O)[C@@H]1CCC(C)(C)C1 ZINC001281957649 779479033 /nfs/dbraw/zinc/47/90/33/779479033.db2.gz SQPVTOHNDFJGEG-HZPDHXFCSA-N 0 1 290.451 2.759 20 30 CFEDMN CCCCCCCCNC(=O)N1C[C@H](C)N[C@@H](C)C1 ZINC001239300056 779505224 /nfs/dbraw/zinc/50/52/24/779505224.db2.gz JOQSYZODCUVWRP-KBPBESRZSA-N 0 1 269.433 2.739 20 30 CFEDMN CCCCCCCOC(=O)N1CCNC(C)(C)C1 ZINC001239333898 779523640 /nfs/dbraw/zinc/52/36/40/779523640.db2.gz IRAJPRIBKLIJNJ-UHFFFAOYSA-N 0 1 256.390 2.777 20 30 CFEDMN C=CCN1CC(CNC(=O)c2scc(C)c2Cl)C1 ZINC001031695526 779530141 /nfs/dbraw/zinc/53/01/41/779530141.db2.gz MTYALACSUVSGIB-UHFFFAOYSA-N 0 1 284.812 2.558 20 30 CFEDMN C=CCN1CC(C)(C)CC[C@@H]1CNC(=O)c1ccoc1C ZINC001089608032 779543783 /nfs/dbraw/zinc/54/37/83/779543783.db2.gz VXEXXLOMVKYRPF-CQSZACIVSA-N 0 1 290.407 2.994 20 30 CFEDMN C=CCN1CC(C)(C)CC[C@H]1CNC(=O)c1cscn1 ZINC001089613625 779544128 /nfs/dbraw/zinc/54/41/28/779544128.db2.gz ZLRQCXDWUXUPSF-LBPRGKRZSA-N 0 1 293.436 2.550 20 30 CFEDMN C=C(C)CN1CC(CNC(=O)c2coc3c2cccc3C)C1 ZINC001031734468 779557952 /nfs/dbraw/zinc/55/79/52/779557952.db2.gz PQNQKLVELKGUFT-UHFFFAOYSA-N 0 1 298.386 2.979 20 30 CFEDMN C#CCN1CC(C)(C)CC[C@H]1CNC(=O)[C@@H]1C[C@H]1CCC ZINC001089691437 779568761 /nfs/dbraw/zinc/56/87/61/779568761.db2.gz PQYQCBPCUARCBM-OWCLPIDISA-N 0 1 290.451 2.663 20 30 CFEDMN C=C(C)CN1CC(CNC(=O)c2cc(Cl)ccc2F)C1 ZINC001031827027 779630819 /nfs/dbraw/zinc/63/08/19/779630819.db2.gz DEMNJDNIRMMALZ-UHFFFAOYSA-N 0 1 296.773 2.717 20 30 CFEDMN C=CCN1CC(CNC(=O)c2occc2-c2ccccc2)C1 ZINC001031828557 779631332 /nfs/dbraw/zinc/63/13/32/779631332.db2.gz BCVWIOPAJMODMA-UHFFFAOYSA-N 0 1 296.370 2.794 20 30 CFEDMN Cc1cccc(O)c1C[N@@H+]1[C@@H]2CC[C@H]1C[C@H](C#N)C2 ZINC001237488078 779689753 /nfs/dbraw/zinc/68/97/53/779689753.db2.gz QQVHKIBJGKWHGS-ZSOGYDGISA-N 0 1 256.349 2.967 20 30 CFEDMN C=Cc1ccc(C(=O)NCC2CN(CC(=C)C)C2)cc1 ZINC001031999366 779701501 /nfs/dbraw/zinc/70/15/01/779701501.db2.gz QANOEOGFKHNYSP-UHFFFAOYSA-N 0 1 270.376 2.567 20 30 CFEDMN C=C(C)CN1CC(CNC(=O)c2ccc(Cl)c(F)c2)C1 ZINC001032001727 779703913 /nfs/dbraw/zinc/70/39/13/779703913.db2.gz LHFKAHPCTULMOO-UHFFFAOYSA-N 0 1 296.773 2.717 20 30 CFEDMN C=C(C)CN1CC(CNC(=O)c2cc(C(C)C)oc2C)C1 ZINC001032092349 779734880 /nfs/dbraw/zinc/73/48/80/779734880.db2.gz ROVJMMONYKKTTJ-UHFFFAOYSA-N 0 1 290.407 2.949 20 30 CFEDMN Cc1cc(F)ccc1-c1cc2[nH]cnc2c(C#N)n1 ZINC001239739263 779739010 /nfs/dbraw/zinc/73/90/10/779739010.db2.gz UJKNEBLXJSGPRJ-UHFFFAOYSA-N 0 1 252.252 2.944 20 30 CFEDMN C=C(C)CN1CC(CNC(=O)c2coc3ccccc23)C1 ZINC001032225578 779776242 /nfs/dbraw/zinc/77/62/42/779776242.db2.gz UZGQOKRNKBNLJT-UHFFFAOYSA-N 0 1 284.359 2.671 20 30 CFEDMN CN(C)C(=O)c1ccc(-c2nccc3[nH]cc(C#N)c32)cc1 ZINC001239797355 779779775 /nfs/dbraw/zinc/77/97/75/779779775.db2.gz PCHDMZSHBLLXSG-UHFFFAOYSA-N 0 1 290.326 2.803 20 30 CFEDMN N#Cc1c(F)cc(-c2cc3[nH]nnc3cc2F)cc1F ZINC001239921168 779859733 /nfs/dbraw/zinc/85/97/33/779859733.db2.gz VEWKROSJQIAXDU-UHFFFAOYSA-N 0 1 274.205 2.914 20 30 CFEDMN C=CC[N@@H+]1C[C@@H]2CCC[C@]2(NC(=O)c2ccsc2C)C1 ZINC001098825643 779866084 /nfs/dbraw/zinc/86/60/84/779866084.db2.gz RGRXVUQVXFQQEU-BBRMVZONSA-N 0 1 290.432 2.827 20 30 CFEDMN C=CCCCN1CCO[C@](C)(CNC(=O)CCCCC)C1 ZINC001107741794 779891001 /nfs/dbraw/zinc/89/10/01/779891001.db2.gz PTSZGVQNWHBDBD-QGZVFWFLSA-N 0 1 296.455 2.740 20 30 CFEDMN C=CCCCN1CCO[C@@](C)(CNC(=O)CC(C)(C)C)C1 ZINC001107743637 779891881 /nfs/dbraw/zinc/89/18/81/779891881.db2.gz VCSFJYLYTCZNFE-KRWDZBQOSA-N 0 1 296.455 2.596 20 30 CFEDMN C=C(C)CCN1CCO[C@](C)(CNC(=O)C(CC)CC)C1 ZINC001107755633 779894041 /nfs/dbraw/zinc/89/40/41/779894041.db2.gz GVJRGNGDTPFUQB-QGZVFWFLSA-N 0 1 296.455 2.596 20 30 CFEDMN C=CCCC[N@H+]1CCO[C@](C)(CNC(=O)[C@H](C)CCC)C1 ZINC001107823207 779904386 /nfs/dbraw/zinc/90/43/86/779904386.db2.gz LCYWDGHLXKHLKP-NVXWUHKLSA-N 0 1 296.455 2.596 20 30 CFEDMN C=CCCCN1CCO[C@](C)(CNC(=O)[C@H](C)CCC)C1 ZINC001107823207 779904394 /nfs/dbraw/zinc/90/43/94/779904394.db2.gz LCYWDGHLXKHLKP-NVXWUHKLSA-N 0 1 296.455 2.596 20 30 CFEDMN COCC#CCN[C@@H](c1ccc(F)cc1F)C1CC1 ZINC001168541477 779910782 /nfs/dbraw/zinc/91/07/82/779910782.db2.gz JKMFPVZWNZSNIR-OAHLLOKOSA-N 0 1 265.303 2.655 20 30 CFEDMN C=C(C)CN1C[C@@H]2C[C@H]1CN2C(=O)CC(C)(C)C1CC1 ZINC001032393439 779923245 /nfs/dbraw/zinc/92/32/45/779923245.db2.gz YKCZLMXGODBJKZ-GJZGRUSLSA-N 0 1 276.424 2.674 20 30 CFEDMN C=CCCN1CCO[C@](C)(CNC(=O)[C@@H](C)CCCC)C1 ZINC001107911965 779937688 /nfs/dbraw/zinc/93/76/88/779937688.db2.gz CLIJJIYSMUPHKL-DOTOQJQBSA-N 0 1 296.455 2.596 20 30 CFEDMN C=CCC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1ccc2[nH]ccc2c1 ZINC001032596533 780060649 /nfs/dbraw/zinc/06/06/49/780060649.db2.gz GPXKXGIEEMJPLX-HOTGVXAUSA-N 0 1 295.386 2.643 20 30 CFEDMN C=CCCN1C[C@@H]2C[C@H]1CN2C(=O)c1ccc2[nH]ccc2c1 ZINC001032596533 780060658 /nfs/dbraw/zinc/06/06/58/780060658.db2.gz GPXKXGIEEMJPLX-HOTGVXAUSA-N 0 1 295.386 2.643 20 30 CFEDMN N#Cc1nc(-c2ccnc(C(F)(F)F)c2)cc2[nH]cnc21 ZINC001240335347 780091122 /nfs/dbraw/zinc/09/11/22/780091122.db2.gz APAWZUGPPSUTLC-UHFFFAOYSA-N 0 1 289.220 2.910 20 30 CFEDMN C=C(C)CN1C[C@@H]2C[C@H]1CN2C(=O)C1CCC(F)(F)CC1 ZINC001032649157 780113814 /nfs/dbraw/zinc/11/38/14/780113814.db2.gz DQNMYIWQCQSZGX-KBPBESRZSA-N 0 1 298.377 2.673 20 30 CFEDMN C=C(C)CN1C[C@@H]2C[C@H]1CN2C(=O)[C@H]1C[C@@H]1c1ccccc1 ZINC001032668572 780124982 /nfs/dbraw/zinc/12/49/82/780124982.db2.gz HLFLFLPTHFXDOP-FJIDUMEYSA-N 0 1 296.414 2.651 20 30 CFEDMN N#Cc1nccnc1C1=CCCN(Cc2ccccc2)C1 ZINC001240385550 780129606 /nfs/dbraw/zinc/12/96/06/780129606.db2.gz YJBOXECDYUUDDM-UHFFFAOYSA-N 0 1 276.343 2.638 20 30 CFEDMN C=C(C)CCN1C[C@@H]2C[C@H]1CN2C(=O)C1(F)CCCCC1 ZINC001032715543 780138021 /nfs/dbraw/zinc/13/80/21/780138021.db2.gz CPKSAVOLQQLBJA-GJZGRUSLSA-N 0 1 294.414 2.910 20 30 CFEDMN C=CCN1CC[C@H]2[C@H]1CCCN2C(=O)c1cccs1 ZINC001049303281 780138829 /nfs/dbraw/zinc/13/88/29/780138829.db2.gz SBSRPFFJIAWAHP-OLZOCXBDSA-N 0 1 276.405 2.613 20 30 CFEDMN N#Cc1ccc(Br)c(CN[C@H]2CCCOC2)c1 ZINC000921705446 780189099 /nfs/dbraw/zinc/18/90/99/780189099.db2.gz NCNIGQLKZRJKSZ-LBPRGKRZSA-N 0 1 295.180 2.589 20 30 CFEDMN C=CCN1CC[C@@]2(CCCN2Cc2ccc(F)cc2)C1=O ZINC001272914354 780208625 /nfs/dbraw/zinc/20/86/25/780208625.db2.gz CDBMUHQUGWTTFB-KRWDZBQOSA-N 0 1 288.366 2.579 20 30 CFEDMN CCC(C)(C)CC(=O)NCCNCc1ccccc1C#N ZINC001128144144 780219109 /nfs/dbraw/zinc/21/91/09/780219109.db2.gz GXZFTYMMDZMDAF-UHFFFAOYSA-N 0 1 287.407 2.590 20 30 CFEDMN C#CCCN1C[C@@H]2C[C@H]1CN2C(=O)[C@H]1CCCCC1(C)C ZINC001032811064 780277540 /nfs/dbraw/zinc/27/75/40/780277540.db2.gz QNVXNLCAMGDRAU-HRCADAONSA-N 0 1 288.435 2.511 20 30 CFEDMN C=CCCN1C[C@@H]2C[C@H]1CN2C(=O)c1coc2ccccc12 ZINC001032815629 780304685 /nfs/dbraw/zinc/30/46/85/780304685.db2.gz JGXFPDIEGUHDDQ-KBPBESRZSA-N 0 1 296.370 2.908 20 30 CFEDMN CO/N=C/c1cc(-c2c(C)n[nH]c2C)cc(F)c1F ZINC001240127963 780317952 /nfs/dbraw/zinc/31/79/52/780317952.db2.gz VHGTZZMGYJIKIA-OMCISZLKSA-N 0 1 265.263 2.952 20 30 CFEDMN C=C(Cl)CNCCNC(=O)c1ccc(CCC)s1 ZINC001128327426 780397394 /nfs/dbraw/zinc/39/73/94/780397394.db2.gz HVNDIFGUESZNLJ-UHFFFAOYSA-N 0 1 286.828 2.773 20 30 CFEDMN N#Cc1nc(-c2cncc(C(F)(F)F)c2)cc2[nH]cnc21 ZINC001240790710 780445686 /nfs/dbraw/zinc/44/56/86/780445686.db2.gz WBVGUVLFPYMPRY-UHFFFAOYSA-N 0 1 289.220 2.910 20 30 CFEDMN Cc1ccc(C#N)c(-c2ccc(N3CCN(C)CC3)cc2)n1 ZINC001240849604 780476238 /nfs/dbraw/zinc/47/62/38/780476238.db2.gz RJRSVQJARRATHW-UHFFFAOYSA-N 0 1 292.386 2.681 20 30 CFEDMN CCCCCCCC(=O)C(C#N)C(=O)N1CCCC1 ZINC000124665786 780560529 /nfs/dbraw/zinc/56/05/29/780560529.db2.gz QMAPAWUVEKYZAW-ZDUSSCGKSA-N 0 1 264.369 2.678 20 30 CFEDMN C=C(C)CN1CC[C@H](N(C)C(=O)c2conc2C(C)C)C1 ZINC001033138797 780579325 /nfs/dbraw/zinc/57/93/25/780579325.db2.gz BSUGNIXXQALGAJ-ZDUSSCGKSA-N 0 1 291.395 2.520 20 30 CFEDMN CCOC(=O)c1cc(C)nc(-c2ccccc2O)c1C#N ZINC001241001612 780585964 /nfs/dbraw/zinc/58/59/64/780585964.db2.gz BMCFKNKHVKVEGQ-UHFFFAOYSA-N 0 1 282.299 2.811 20 30 CFEDMN C=C(C)CN1CC[C@H](N(C)C(=O)c2cc3cnccc3o2)C1 ZINC001033232589 780625702 /nfs/dbraw/zinc/62/57/02/780625702.db2.gz KYUUXJRVVISQMG-AWEZNQCLSA-N 0 1 299.374 2.550 20 30 CFEDMN C=CCN1CC[C@H](N(C)C(=O)c2cccc(C(C)C)n2)C1 ZINC001033233928 780626344 /nfs/dbraw/zinc/62/63/44/780626344.db2.gz VSYMUDVRKALVAT-AWEZNQCLSA-N 0 1 287.407 2.537 20 30 CFEDMN C=CCN1CC[C@H](N(C)C(=O)c2ccnc3ccccc32)C1 ZINC001033241362 780629072 /nfs/dbraw/zinc/62/90/72/780629072.db2.gz VPPJTOWLTIXUQT-AWEZNQCLSA-N 0 1 295.386 2.567 20 30 CFEDMN CC#CCN1CC[C@@H](N(C)C(=O)C2CCCCCCC2)C1 ZINC001033252958 780632795 /nfs/dbraw/zinc/63/27/95/780632795.db2.gz KNNFCYKVZWAOBZ-QGZVFWFLSA-N 0 1 290.451 2.903 20 30 CFEDMN C=CCN1CC[C@@H](N(C)C(=O)[C@H]2CCCCC2(F)F)C1 ZINC001033292978 780641883 /nfs/dbraw/zinc/64/18/83/780641883.db2.gz IPCVBBYBSWFTSN-CHWSQXEVSA-N 0 1 286.366 2.531 20 30 CFEDMN C=CC[N@@H+]1CC[C@H](N(C)C(=O)c2ccc(C)cc2Cl)C1 ZINC001033441471 780682171 /nfs/dbraw/zinc/68/21/71/780682171.db2.gz AICRAUDLSWCZIV-ZDUSSCGKSA-N 0 1 292.810 2.981 20 30 CFEDMN C=CCN1CC[C@H](N(C)C(=O)c2ccc(C)cc2Cl)C1 ZINC001033441471 780682177 /nfs/dbraw/zinc/68/21/77/780682177.db2.gz AICRAUDLSWCZIV-ZDUSSCGKSA-N 0 1 292.810 2.981 20 30 CFEDMN C=CCN1CC[C@H](N(C)C(=O)C2[C@@H]3CCCCCC[C@@H]23)C1 ZINC001033446010 780683723 /nfs/dbraw/zinc/68/37/23/780683723.db2.gz DHPLSNGKJDSGPM-ARFHVFGLSA-N 0 1 290.451 2.922 20 30 CFEDMN C=CCN1CC[C@@H](N(C)C(=O)Cc2ccc(Cl)s2)C1 ZINC001033487875 780692942 /nfs/dbraw/zinc/69/29/42/780692942.db2.gz KIMONWFVOCQSMD-LLVKDONJSA-N 0 1 298.839 2.663 20 30 CFEDMN C=CCN1CC[C@H](N(C)C(=O)Cc2ccc(Cl)s2)C1 ZINC001033487876 780694307 /nfs/dbraw/zinc/69/43/07/780694307.db2.gz KIMONWFVOCQSMD-NSHDSACASA-N 0 1 298.839 2.663 20 30 CFEDMN C=C(C)CN1CC[C@H](N(C)C(=O)c2ccoc2CCC)C1 ZINC001033579898 780716389 /nfs/dbraw/zinc/71/63/89/780716389.db2.gz ANNMFHAQZLHIGU-AWEZNQCLSA-N 0 1 290.407 2.955 20 30 CFEDMN C=CCN1CC[C@H](N(C)C(=O)[C@H](C)c2ccc(C)s2)C1 ZINC001033581373 780716406 /nfs/dbraw/zinc/71/64/06/780716406.db2.gz JXIUBJBNLNASFR-KGLIPLIRSA-N 0 1 292.448 2.879 20 30 CFEDMN C=CCN1CC[C@@H](N(C)C(=O)c2ncsc2C(C)C)C1 ZINC001033582834 780716787 /nfs/dbraw/zinc/71/67/87/780716787.db2.gz UGUFBMVUPIFVNR-GFCCVEGCSA-N 0 1 293.436 2.599 20 30 CFEDMN C#CCN1CC[C@H](N(C)C(=O)C[C@H]2CCCC(C)(C)C2)C1 ZINC001033594246 780721330 /nfs/dbraw/zinc/72/13/30/780721330.db2.gz LWDUUPFZAIORDG-CVEARBPZSA-N 0 1 290.451 2.759 20 30 CFEDMN C=CCN1CC[C@H](N(C)C(=O)[C@H]2CC[C@H](C)CC2)C1 ZINC001033605905 780728450 /nfs/dbraw/zinc/72/84/50/780728450.db2.gz ZAKOKBQFCICGHW-KKUMJFAQSA-N 0 1 264.413 2.531 20 30 CFEDMN C=CCN1CC[C@@H](N(C)C(=O)c2c(F)cccc2Cl)C1 ZINC001033610472 780729985 /nfs/dbraw/zinc/72/99/85/780729985.db2.gz WZFREUFGBGRKMB-LLVKDONJSA-N 0 1 296.773 2.811 20 30 CFEDMN C=C(C)CN1CC[C@@H](N(C)C(=O)c2ccc(F)cc2F)C1 ZINC001033629234 780734625 /nfs/dbraw/zinc/73/46/25/780734625.db2.gz XHAPSCSGTQXFIP-CYBMUJFWSA-N 0 1 294.345 2.687 20 30 CFEDMN C=CCN1CC[C@@H](N(C)C(=O)c2cc(C)c(F)c(C)c2)C1 ZINC001033668935 780744769 /nfs/dbraw/zinc/74/47/69/780744769.db2.gz FPRQLVAAFPNKLE-OAHLLOKOSA-N 0 1 290.382 2.775 20 30 CFEDMN CC#CCN1CC[C@H](N(C)C(=O)C2CCC(C)(C)CC2)C1 ZINC001033694138 780750585 /nfs/dbraw/zinc/75/05/85/780750585.db2.gz IZLAENJAUXIHOO-INIZCTEOSA-N 0 1 290.451 2.759 20 30 CFEDMN C=CCN1CC[C@@H](N(C)C(=O)C2CC(c3ccccc3)C2)C1 ZINC001033701209 780756393 /nfs/dbraw/zinc/75/63/93/780756393.db2.gz GXONVQAYWQLXNV-DAWZGUTISA-N 0 1 298.430 2.899 20 30 CFEDMN CC#CCN1CC[C@H](N(C)C(=O)c2coc3ccccc23)C1 ZINC001033708437 780756475 /nfs/dbraw/zinc/75/64/75/780756475.db2.gz ALJBBJIGGJXZCL-AWEZNQCLSA-N 0 1 296.370 2.602 20 30 CFEDMN C=CCN1CC[C@H](N(C)C(=O)C2(c3ccccc3C)CC2)C1 ZINC001033712931 780759564 /nfs/dbraw/zinc/75/95/64/780759564.db2.gz MRIZERSCWNONDM-INIZCTEOSA-N 0 1 298.430 2.745 20 30 CFEDMN C=C(C)CN1CC[C@H](N(CC)C(=O)c2ccoc2C)C1 ZINC001033742097 780771054 /nfs/dbraw/zinc/77/10/54/780771054.db2.gz IDFLPNRRPHBVSF-AWEZNQCLSA-N 0 1 276.380 2.701 20 30 CFEDMN CN1CC=C(c2nc(C#N)ccc2NC(=O)C(C)(C)C)CC1 ZINC001241310711 780772219 /nfs/dbraw/zinc/77/22/19/780772219.db2.gz KGPHEYCMYLQSLM-UHFFFAOYSA-N 0 1 298.390 2.657 20 30 CFEDMN CC#CCN1CC[C@@H](N(CC)C(=O)C2CCCCCC2)C1 ZINC001033769668 780780675 /nfs/dbraw/zinc/78/06/75/780780675.db2.gz TXSSTPHTAJGKIK-QGZVFWFLSA-N 0 1 290.451 2.903 20 30 CFEDMN C=CCN1CC[C@H](N(CC)C(=O)c2cc(C)c(C)o2)C1 ZINC001033793550 780792409 /nfs/dbraw/zinc/79/24/09/780792409.db2.gz WWJROPXDPPHCPR-AWEZNQCLSA-N 0 1 276.380 2.619 20 30 CFEDMN C#CCN1CC[C@H](N(CC)C(=O)C2CCC3(CC3)CC2)C1 ZINC001033899029 780821828 /nfs/dbraw/zinc/82/18/28/780821828.db2.gz GGXVOCKYCLDAET-INIZCTEOSA-N 0 1 288.435 2.513 20 30 CFEDMN C=Cc1ccc(C(=O)N(CC)[C@H]2CC[N@@H+](CC#CC)C2)cc1 ZINC001033969277 780843506 /nfs/dbraw/zinc/84/35/06/780843506.db2.gz SHNFTPAQDHAMSD-SFHVURJKSA-N 0 1 296.414 2.889 20 30 CFEDMN C=Cc1ccc(C(=O)N(CC)[C@H]2CCN(CC#CC)C2)cc1 ZINC001033969277 780843512 /nfs/dbraw/zinc/84/35/12/780843512.db2.gz SHNFTPAQDHAMSD-SFHVURJKSA-N 0 1 296.414 2.889 20 30 CFEDMN C=C(C)C[N@@H+]1CC[C@H](N(CC)C(=O)[C@H]2CC23CCC3)C1 ZINC001033971696 780843644 /nfs/dbraw/zinc/84/36/44/780843644.db2.gz KFWKMMRDJZZMHR-LSDHHAIUSA-N 0 1 276.424 2.676 20 30 CFEDMN COc1ccc(CNCc2ccc(C)c(C#N)c2)cn1 ZINC000701832465 780843734 /nfs/dbraw/zinc/84/37/34/780843734.db2.gz USEPGUUDOYHTGO-UHFFFAOYSA-N 0 1 267.332 2.560 20 30 CFEDMN C=CCN1CC[C@@H](N(CC)C(=O)c2cc(C)ccc2F)C1 ZINC001033976949 780844737 /nfs/dbraw/zinc/84/47/37/780844737.db2.gz VWZHWNVMHNXPFJ-CQSZACIVSA-N 0 1 290.382 2.857 20 30 CFEDMN C=CCN1CC[C@@H](N(CC)C(=O)[C@H]2C[C@@H]2c2ccccc2)C1 ZINC001033980972 780849276 /nfs/dbraw/zinc/84/92/76/780849276.db2.gz BDGUUROTQGSSAP-KURKYZTESA-N 0 1 298.430 2.899 20 30 CFEDMN CC#CCN1CC[C@H](N(CC)C(=O)c2cc(C)ccc2C)C1 ZINC001034026551 780859002 /nfs/dbraw/zinc/85/90/02/780859002.db2.gz SOXKUASFOMXFPQ-KRWDZBQOSA-N 0 1 298.430 2.863 20 30 CFEDMN CC#CCN1CCCC[C@@H](NC(=O)C2C(C)(C)C2(C)C)C1 ZINC001034156224 780903283 /nfs/dbraw/zinc/90/32/83/780903283.db2.gz PSHCHSCGQZFIKV-CQSZACIVSA-N 0 1 290.451 2.663 20 30 CFEDMN Cn1cc2cccc(-c3nccc4[nH]cc(C#N)c43)c2n1 ZINC001241464001 780916602 /nfs/dbraw/zinc/91/66/02/780916602.db2.gz FNYIJHQYEMJZAB-UHFFFAOYSA-N 0 1 273.299 2.988 20 30 CFEDMN C=CCN1CCCC[C@@H](NC(=O)c2sccc2F)C1 ZINC001034200511 780921134 /nfs/dbraw/zinc/92/11/34/780921134.db2.gz DUFJEXGCBDBXRB-LLVKDONJSA-N 0 1 282.384 2.658 20 30 CFEDMN C=CCN1CCCC[C@@H](NC(=O)c2cc(F)ccc2F)C1 ZINC001034247536 780929678 /nfs/dbraw/zinc/92/96/78/780929678.db2.gz POSLVXSICVADJK-CYBMUJFWSA-N 0 1 294.345 2.735 20 30 CFEDMN CC#CCN1CCCC[C@@H](NC(=O)[C@H]2CCCC2(C)C)C1 ZINC001034355472 780949844 /nfs/dbraw/zinc/94/98/44/780949844.db2.gz PTLDKJCAKCQGHF-HZPDHXFCSA-N 0 1 290.451 2.807 20 30 CFEDMN C=C(C)C[N@H+]1CCCC[C@@H](NC(=O)c2cc(C)co2)C1 ZINC001034351639 780952854 /nfs/dbraw/zinc/95/28/54/780952854.db2.gz NPOLIWLUTYWSEY-CQSZACIVSA-N 0 1 276.380 2.748 20 30 CFEDMN CC#CCN1CCCC[C@H](NC(=O)C2CC3(CCC3)C2)C1 ZINC001034352187 780952941 /nfs/dbraw/zinc/95/29/41/780952941.db2.gz RCDVYBGQAOHTMQ-INIZCTEOSA-N 0 1 288.435 2.561 20 30 CFEDMN CC#CCN1CCCC[C@@H](NC(=O)c2csc(C)c2)C1 ZINC001034445544 780973977 /nfs/dbraw/zinc/97/39/77/780973977.db2.gz VLEZVNBQEVFMGG-OAHLLOKOSA-N 0 1 290.432 2.664 20 30 CFEDMN C=CCN1CCCC[C@H](NC(=O)C2(F)CCCCC2)C1 ZINC001034470923 780982444 /nfs/dbraw/zinc/98/24/44/780982444.db2.gz CPHNYCCHHLCBPZ-AWEZNQCLSA-N 0 1 282.403 2.816 20 30 CFEDMN CC#CCN1CCCC[C@@H](NC(=O)c2ccc(C)cc2)C1 ZINC001034500457 780989301 /nfs/dbraw/zinc/98/93/01/780989301.db2.gz BKOAHKCEMHIGGW-QGZVFWFLSA-N 0 1 284.403 2.603 20 30 CFEDMN COc1ccc(-c2nccc3[nH]cc(C#N)c32)c(OC)n1 ZINC001241573374 780990722 /nfs/dbraw/zinc/99/07/22/780990722.db2.gz JYMCZMWOURXYQC-UHFFFAOYSA-N 0 1 280.287 2.514 20 30 CFEDMN C#CCN1CCCC[C@@H](NC(=O)C2(C)CCC(C)CC2)C1 ZINC001034545834 780996563 /nfs/dbraw/zinc/99/65/63/780996563.db2.gz BHZQDWNLEVBPCH-UPTPFMHGSA-N 0 1 290.451 2.807 20 30 CFEDMN COc1cc(-c2ccc3c(C)[nH]nc3c2)ncc1C#N ZINC001241636606 781034478 /nfs/dbraw/zinc/03/44/78/781034478.db2.gz CAWASUTYYFXZLY-UHFFFAOYSA-N 0 1 264.288 2.814 20 30 CFEDMN C=CCNC(=O)c1ccc(-c2ccc3c(C)[nH]nc3c2)nc1 ZINC001241638042 781037819 /nfs/dbraw/zinc/03/78/19/781037819.db2.gz ADXAOVOVIGPIMF-UHFFFAOYSA-N 0 1 292.342 2.849 20 30 CFEDMN CN1CCN(c2ccc(-c3cc(F)cc(C#N)c3)nc2)CC1 ZINC001241660670 781052985 /nfs/dbraw/zinc/05/29/85/781052985.db2.gz ZJPNINMGPKDSAD-UHFFFAOYSA-N 0 1 296.349 2.511 20 30 CFEDMN COc1nc(-c2ccc3[nH]cnc3c2)ccc1C#N ZINC001241685066 781071342 /nfs/dbraw/zinc/07/13/42/781071342.db2.gz BNXFVGNWEVOJTB-UHFFFAOYSA-N 0 1 250.261 2.505 20 30 CFEDMN C=CCOc1cc(C)nc(-c2ccc3[nH]cnc3c2)n1 ZINC001241685496 781072106 /nfs/dbraw/zinc/07/21/06/781072106.db2.gz NDDYRYSVGGZJQC-UHFFFAOYSA-N 0 1 266.304 2.893 20 30 CFEDMN COC(=O)c1ccc(-c2ccc3[nH]cnc3c2)c(C#N)c1 ZINC001241692070 781076372 /nfs/dbraw/zinc/07/63/72/781076372.db2.gz VQUHTRMJHYAGDW-UHFFFAOYSA-N 0 1 277.283 2.888 20 30 CFEDMN C=C(Cl)CN1CCC2(C1)CCN(C(=O)[C@H]1C[C@H]1C)CC2 ZINC001035155626 781118079 /nfs/dbraw/zinc/11/80/79/781118079.db2.gz BKIMEVYQSFIGIP-OCCSQVGLSA-N 0 1 296.842 2.709 20 30 CFEDMN C=C(Cl)CN1CCC2(C1)CCN(C(=O)[C@H]1C[C@@H]1C)CC2 ZINC001035155624 781118141 /nfs/dbraw/zinc/11/81/41/781118141.db2.gz BKIMEVYQSFIGIP-JSGCOSHPSA-N 0 1 296.842 2.709 20 30 CFEDMN C=C(Cl)CN1CCC2(C1)CCN(C(=O)C(C)C)CC2 ZINC001035162929 781119400 /nfs/dbraw/zinc/11/94/00/781119400.db2.gz MNICUDYCEFIHDF-UHFFFAOYSA-N 0 1 284.831 2.709 20 30 CFEDMN C=CCN1CC2(C1)CCN(C(=O)C[C@@H]1CC[C@@H](C)C1)CC2 ZINC001035770209 781166575 /nfs/dbraw/zinc/16/65/75/781166575.db2.gz CUCQDQGZEOQNQB-HZPDHXFCSA-N 0 1 290.451 2.923 20 30 CFEDMN C=CC(C)(C)C(=O)N1CCC2(CN(C[C@@H](F)CC)C2)CC1 ZINC001035768062 781166677 /nfs/dbraw/zinc/16/66/77/781166677.db2.gz YESVGBRCTZZKTN-AWEZNQCLSA-N 0 1 296.430 2.871 20 30 CFEDMN C=CCN1CC2(C1)CCN(C(=O)[C@@H]1CCC[C@@H]1CC)CC2 ZINC001035786846 781168743 /nfs/dbraw/zinc/16/87/43/781168743.db2.gz FSMBQXLJBLTHGQ-JKSUJKDBSA-N 0 1 290.451 2.923 20 30 CFEDMN C=CCN1CC2(C1)CCN(C(=O)[C@@H]1C[C@H]1CC(C)C)CC2 ZINC001035800162 781172988 /nfs/dbraw/zinc/17/29/88/781172988.db2.gz WDVMFEVNCUQYTG-HZPDHXFCSA-N 0 1 290.451 2.779 20 30 CFEDMN C=CCN1CC2(C1)CCN(C(=O)[C@H]1C[C@@]1(C)C(C)C)CC2 ZINC001035828881 781175202 /nfs/dbraw/zinc/17/52/02/781175202.db2.gz UUNSXQUHZQWEER-WBVHZDCISA-N 0 1 290.451 2.779 20 30 CFEDMN Cc1nc(-c2ccc3nn[nH]c3c2)c(C#N)c(C)c1C ZINC001241940030 781193335 /nfs/dbraw/zinc/19/33/35/781193335.db2.gz WLNNYQDSOVFNQK-UHFFFAOYSA-N 0 1 263.304 2.817 20 30 CFEDMN CC(C)(C#N)c1ccc(-c2ccc3[nH]nnc3c2)cn1 ZINC001241942749 781198605 /nfs/dbraw/zinc/19/86/05/781198605.db2.gz ZXBQRUAWVTZYNR-UHFFFAOYSA-N 0 1 263.304 2.821 20 30 CFEDMN CC(C)(C#N)c1ccc(-c2ccc3nn[nH]c3c2)cn1 ZINC001241942749 781198609 /nfs/dbraw/zinc/19/86/09/781198609.db2.gz ZXBQRUAWVTZYNR-UHFFFAOYSA-N 0 1 263.304 2.821 20 30 CFEDMN C=CCCSCCNc1nc(Cl)nc2[nH]cnc21 ZINC000710184385 781330527 /nfs/dbraw/zinc/33/05/27/781330527.db2.gz NQPBHQVYPFIFLM-UHFFFAOYSA-N 0 1 283.788 2.679 20 30 CFEDMN C=C(Cl)CN1CC[C@H]2CN(C(=O)c3ccoc3)CC[C@H]21 ZINC001036643135 781342588 /nfs/dbraw/zinc/34/25/88/781342588.db2.gz BNYVDHJXIIROAT-GXTWGEPZSA-N 0 1 294.782 2.569 20 30 CFEDMN CN1CCc2c(F)cc(-c3cccnc3C#N)cc2C1 ZINC001242314379 781392448 /nfs/dbraw/zinc/39/24/48/781392448.db2.gz WDTRTNXKPXWWQK-UHFFFAOYSA-N 0 1 267.307 2.747 20 30 CFEDMN C=C(Cl)CN1CC[C@@H]2CN(C(=O)/C(C)=C\C)CC[C@H]21 ZINC001036680906 781408627 /nfs/dbraw/zinc/40/86/27/781408627.db2.gz FESGGRLKKSSZHU-WHUXGPFLSA-N 0 1 282.815 2.628 20 30 CFEDMN Cc1cc(-c2cc3nc[nH]c3cc2F)cnc1C#N ZINC001242357384 781432526 /nfs/dbraw/zinc/43/25/26/781432526.db2.gz TZTOUEQOPSLVQC-UHFFFAOYSA-N 0 1 252.252 2.944 20 30 CFEDMN C=CCCCC(=O)NC[C@]1(C)CN(CCC(C)C)CCO1 ZINC001108173674 781434201 /nfs/dbraw/zinc/43/42/01/781434201.db2.gz VZMYIDUWMKNHMO-QGZVFWFLSA-N 0 1 296.455 2.596 20 30 CFEDMN N#Cc1cc(-c2nccc(-c3ccco3)n2)ccc1O ZINC001242562962 781601677 /nfs/dbraw/zinc/60/16/77/781601677.db2.gz PKHLIRXUBMVNEI-UHFFFAOYSA-N 0 1 263.256 2.981 20 30 CFEDMN COc1nc(-c2ccc(O)c(C#N)c2)nc2ccsc21 ZINC001242563428 781602506 /nfs/dbraw/zinc/60/25/06/781602506.db2.gz XWWOQUDYEVTAIU-UHFFFAOYSA-N 0 1 283.312 2.944 20 30 CFEDMN N#Cc1cc(-c2cccc3c2CC[NH2+]C3)ccc1[O-] ZINC001242564557 781603874 /nfs/dbraw/zinc/60/38/74/781603874.db2.gz GTGMGAKNQGRUHO-UHFFFAOYSA-N 0 1 250.301 2.577 20 30 CFEDMN C[NH+](C)CCCOc1ccc(-c2ccc([O-])c(C#N)c2)cn1 ZINC001242566015 781604860 /nfs/dbraw/zinc/60/48/60/781604860.db2.gz ZSFUTOZTLHODBL-UHFFFAOYSA-N 0 1 297.358 2.656 20 30 CFEDMN C=CCN1C[C@@H](C)[C@H](NC(=O)c2c(F)cc(C)cc2F)C1 ZINC001080093617 781635626 /nfs/dbraw/zinc/63/56/26/781635626.db2.gz ODNRLKHVHUAISK-BXUZGUMPSA-N 0 1 294.345 2.509 20 30 CFEDMN C=CCN1C[C@@H](C)[C@H](NC(=O)c2cc(F)ccc2Cl)C1 ZINC001080501067 781666191 /nfs/dbraw/zinc/66/61/91/781666191.db2.gz QQZOHUPLPGRMNG-QMTHXVAHSA-N 0 1 296.773 2.715 20 30 CFEDMN CC#CCN1C[C@@H](C)[C@H](NC(=O)c2ccc(C3CC3)cc2)C1 ZINC001080984120 781690351 /nfs/dbraw/zinc/69/03/51/781690351.db2.gz IIQLZKVZDDEJLD-RDTXWAMCSA-N 0 1 296.414 2.637 20 30 CFEDMN C=C(Cl)CN[C@@H]1CN(C(=O)[C@H]2[C@@H]3CCCC[C@@H]32)C[C@H]1C ZINC001082459752 781729311 /nfs/dbraw/zinc/72/93/11/781729311.db2.gz AHCZPCGSVIOECH-LFHLZQBKSA-N 0 1 296.842 2.612 20 30 CFEDMN C=C(Cl)CN[C@@H]1CN(C(=O)[C@@H]2CCC2(C)C)C[C@H]1C ZINC001082695471 781739996 /nfs/dbraw/zinc/73/99/96/781739996.db2.gz SCWVHFUXTLIONX-KGYLQXTDSA-N 0 1 284.831 2.612 20 30 CFEDMN Cc1cc(-c2ccc(CN(C)C)cn2)ccc1C#N ZINC001242767003 781750374 /nfs/dbraw/zinc/75/03/74/781750374.db2.gz ZVKRNYYIBQJPEG-UHFFFAOYSA-N 0 1 251.333 2.990 20 30 CFEDMN C#CCN(CC[C@@](C#N)(C(C)=O)c1ccccc1)CC1CC1 ZINC001119252751 781753318 /nfs/dbraw/zinc/75/33/18/781753318.db2.gz OIXRYWWBMLZFNC-LJQANCHMSA-N 0 1 294.398 2.772 20 30 CFEDMN CC#CCN1CC[C@@H]2CN(C(=O)CCC3CCCC3)[C@@H]2C1 ZINC001084164406 781774554 /nfs/dbraw/zinc/77/45/54/781774554.db2.gz FDQDXBSWCMXHAA-IAGOWNOFSA-N 0 1 288.435 2.513 20 30 CFEDMN C=C(C)CN1CC[C@@H]2CN(C(=O)c3ccoc3Cl)[C@@H]2C1 ZINC001084309185 781788790 /nfs/dbraw/zinc/78/87/90/781788790.db2.gz YQYSFOAAXVZZFW-DGCLKSJQSA-N 0 1 294.782 2.655 20 30 CFEDMN CC(C)Oc1ccnc(N2CCC[C@H](CC#N)C2)c1 ZINC001166742827 781801874 /nfs/dbraw/zinc/80/18/74/781801874.db2.gz LURRNPABHHAJSX-CYBMUJFWSA-N 0 1 259.353 2.999 20 30 CFEDMN C=C(C)CN1CC[C@@H]2CN(C(=O)[C@@]34C[C@@H]3CCCC4)[C@@H]2C1 ZINC001084644408 781816410 /nfs/dbraw/zinc/81/64/10/781816410.db2.gz SORINKFDJOUIME-HPFXQQBRSA-N 0 1 288.435 2.676 20 30 CFEDMN C=CCN1CC[C@@H]2CN(C(=O)[C@H]3CCCC(F)(F)C3)[C@@H]2C1 ZINC001084655208 781816949 /nfs/dbraw/zinc/81/69/49/781816949.db2.gz QNDLCMILKGTYCJ-BFHYXJOUSA-N 0 1 298.377 2.531 20 30 CFEDMN C=CCN1CC[C@@H]2CN(C(=O)c3ccc(C=C)cc3)[C@@H]2C1 ZINC001084678291 781819177 /nfs/dbraw/zinc/81/91/77/781819177.db2.gz HXLLODMPKGJILV-IAGOWNOFSA-N 0 1 282.387 2.662 20 30 CFEDMN C#CCN1CC(C)(C)CC[C@H]1CNC(=O)CC(C)(C)C ZINC001098909961 781821532 /nfs/dbraw/zinc/82/15/32/781821532.db2.gz HLOYLACETSSHHU-AWEZNQCLSA-N 0 1 278.440 2.663 20 30 CFEDMN C=CCN1CC[C@@H]2CN(C(=O)c3csc(Cl)c3)[C@@H]2C1 ZINC001084702789 781822426 /nfs/dbraw/zinc/82/24/26/781822426.db2.gz RAJGAVKHQOPYCW-ZYHUDNBSSA-N 0 1 296.823 2.734 20 30 CFEDMN C=CC[N@@H+]1CC[C@@H]2CN(C(=O)[C@H]3CC[C@H](CC)CC3)[C@@H]2C1 ZINC001084787057 781833804 /nfs/dbraw/zinc/83/38/04/781833804.db2.gz WYUVCVYNULJSRJ-QBPKDAKJSA-N 0 1 290.451 2.922 20 30 CFEDMN C=CCN1CC[C@@H]2CN(C(=O)[C@H]3CC[C@H](CC)CC3)[C@@H]2C1 ZINC001084787057 781833812 /nfs/dbraw/zinc/83/38/12/781833812.db2.gz WYUVCVYNULJSRJ-QBPKDAKJSA-N 0 1 290.451 2.922 20 30 CFEDMN C=CCN1CC(C)(C)CC[C@@H]1CNC(=O)[C@@H](C)SC ZINC001098920890 781841782 /nfs/dbraw/zinc/84/17/82/781841782.db2.gz DHPBBKYUKFCYPM-CHWSQXEVSA-N 0 1 284.469 2.531 20 30 CFEDMN C=CCN1CC[C@@H]2CN(C(=O)C(C)(C)c3ccccc3)[C@@H]2C1 ZINC001084816678 781841882 /nfs/dbraw/zinc/84/18/82/781841882.db2.gz QGBWFUYVXNPCGO-NVXWUHKLSA-N 0 1 298.430 2.683 20 30 CFEDMN C=C[C@@H](C#CC(C)(C)C)Oc1nc[nH]c(=O)c1Cl ZINC001230015737 781842534 /nfs/dbraw/zinc/84/25/34/781842534.db2.gz BAAROGYRRCWTEX-VIFPVBQESA-N 0 1 266.728 2.819 20 30 CFEDMN C=CCN1CC[C@@H]2CN(C(=O)[C@H]3CCCCC3(C)C)[C@@H]2C1 ZINC001084859818 781848181 /nfs/dbraw/zinc/84/81/81/781848181.db2.gz MZLLGGBCPVEUMD-BZUAXINKSA-N 0 1 290.451 2.922 20 30 CFEDMN C#C[C@@H](CCCCC)Oc1nc(Cl)nc2[nH]ncc21 ZINC001231047313 781896768 /nfs/dbraw/zinc/89/67/68/781896768.db2.gz PAEYTVWCKBAHQA-VIFPVBQESA-N 0 1 278.743 2.967 20 30 CFEDMN N#Cc1ccc(C2(NCc3cnc(N)s3)CCC2)cc1 ZINC000594517991 349438937 /nfs/dbraw/zinc/43/89/37/349438937.db2.gz FYUQQGDFYIHLOM-UHFFFAOYSA-N 0 1 284.388 2.596 20 30 CFEDMN Cn1nc(C(F)(F)F)cc1CNCc1cccc(C#N)c1 ZINC000594914018 349504240 /nfs/dbraw/zinc/50/42/40/349504240.db2.gz BBXDYFOLBWMDKW-UHFFFAOYSA-N 0 1 294.280 2.600 20 30 CFEDMN N#CC1(c2ccc(CNCc3ccccn3)cc2)CC1 ZINC000594928536 349513014 /nfs/dbraw/zinc/51/30/14/349513014.db2.gz NNLLCIYSPYNVFG-UHFFFAOYSA-N 0 1 263.344 2.927 20 30 CFEDMN C[C@H](NCc1cnc2n1CCC2)c1cccc(C#N)c1 ZINC000594930346 349514850 /nfs/dbraw/zinc/51/48/50/349514850.db2.gz VEYRACSRCNGFGM-LBPRGKRZSA-N 0 1 266.348 2.552 20 30 CFEDMN C=C(C)c1cccc(NC(=O)N(C)CC2CN(C)C2)c1 ZINC000934887372 649847623 /nfs/dbraw/zinc/84/76/23/649847623.db2.gz OSCWKXGCYWXDBI-UHFFFAOYSA-N 0 1 273.380 2.745 20 30 CFEDMN N#Cc1cccc(CNCc2cccnc2N2CCCC2)c1 ZINC000594957479 349529118 /nfs/dbraw/zinc/52/91/18/349529118.db2.gz PTRCSJGEBZPLCU-UHFFFAOYSA-N 0 1 292.386 2.843 20 30 CFEDMN Cc1nocc1CNC(C)(C)c1cccc(C#N)c1 ZINC000594966870 349534391 /nfs/dbraw/zinc/53/43/91/349534391.db2.gz BUEGJIAGNVXQLF-UHFFFAOYSA-N 0 1 255.321 2.880 20 30 CFEDMN N#Cc1ccc(CN[C@H]2C[C@H](Oc3ccccc3)C2)o1 ZINC000594972532 349535909 /nfs/dbraw/zinc/53/59/09/349535909.db2.gz IJZJEOLRMCYNNY-YGUOUDRMSA-N 0 1 268.316 2.851 20 30 CFEDMN Cn1ncc(C2CCC2)c1CNCc1cc(C#N)cs1 ZINC000594984768 349539299 /nfs/dbraw/zinc/53/92/99/349539299.db2.gz TVVLUMIMFXTESL-UHFFFAOYSA-N 0 1 286.404 2.911 20 30 CFEDMN C[C@@H](N[C@@H]1CCCn2nccc21)c1ccc(C#N)cc1 ZINC000595008107 349546124 /nfs/dbraw/zinc/54/61/24/349546124.db2.gz QJMKOKISKMWFHA-IUODEOHRSA-N 0 1 266.348 2.940 20 30 CFEDMN CC[C@H]1CN(CCc2ccc(C#N)cc2)C[C@@H](C)O1 ZINC000595318215 349601433 /nfs/dbraw/zinc/60/14/33/349601433.db2.gz SLVODTBERLGRRS-CJNGLKHVSA-N 0 1 258.365 2.600 20 30 CFEDMN CCN1CCN([C@@H](C#N)c2ccc(Cl)cc2)C[C@@H]1C ZINC000595387159 349613315 /nfs/dbraw/zinc/61/33/15/349613315.db2.gz ADBIRWOTQPBKSM-WFASDCNBSA-N 0 1 277.799 2.931 20 30 CFEDMN CC[C@]1(C)CCCN(C([O-])=[NH+][C@H]2CCn3ccnc3C2)C1 ZINC000330278866 529392079 /nfs/dbraw/zinc/39/20/79/529392079.db2.gz QERRNVMEKBFSOI-XJKSGUPXSA-N 0 1 290.411 2.624 20 30 CFEDMN Cc1oc(NC(=O)CN(C)C2CCCCC2)c(C#N)c1C ZINC000097000457 185149612 /nfs/dbraw/zinc/14/96/12/185149612.db2.gz JTZIVLBDXWCLSS-UHFFFAOYSA-N 0 1 289.379 2.971 20 30 CFEDMN C[C@H](NCc1ccnc(C#N)c1)c1ccc(C#N)cc1 ZINC000068752827 346867353 /nfs/dbraw/zinc/86/73/53/346867353.db2.gz KVCSMMHNRDJMEL-LBPRGKRZSA-N 0 1 262.316 2.676 20 30 CFEDMN CC1(C)C[C@H](N2CCC(C#N)(c3ccccn3)CC2)CO1 ZINC000595471692 349637621 /nfs/dbraw/zinc/63/76/21/349637621.db2.gz DBMVADLVINXLRJ-AWEZNQCLSA-N 0 1 285.391 2.506 20 30 CFEDMN Cc1nc([C@H](Nc2ccc(C#N)cn2)c2ccccc2)n[nH]1 ZINC000068907983 346875726 /nfs/dbraw/zinc/87/57/26/346875726.db2.gz NWUFYBNEAFPQMQ-OAHLLOKOSA-N 0 1 290.330 2.581 20 30 CFEDMN N#Cc1cc(CN2CCC[C@H](c3ccccn3)C2)ccn1 ZINC000595503257 349644654 /nfs/dbraw/zinc/64/46/54/349644654.db2.gz ZGSOUCGRAJQIIP-HNNXBMFYSA-N 0 1 278.359 2.728 20 30 CFEDMN C=CCN(CC(F)(F)F)C(=O)c1cc(CCC)[nH]n1 ZINC000069137482 346883386 /nfs/dbraw/zinc/88/33/86/346883386.db2.gz XQEQBVZBNLOGIV-UHFFFAOYSA-N 0 1 275.274 2.553 20 30 CFEDMN COC(=O)c1cccc(CN2CCC[C@H](CC#N)C2)c1 ZINC000595610480 349674916 /nfs/dbraw/zinc/67/49/16/349674916.db2.gz ZQEJTWLYVMCSCQ-CYBMUJFWSA-N 0 1 272.348 2.599 20 30 CFEDMN C=CCN(Cc1ccc(C#N)c(F)c1)[C@@H](C)COC ZINC000595638904 349685944 /nfs/dbraw/zinc/68/59/44/349685944.db2.gz OEQREHCBXPKEDO-LBPRGKRZSA-N 0 1 262.328 2.720 20 30 CFEDMN C[C@]1(C2CC2)CN(CCc2ccc(C#N)cc2)CCO1 ZINC000595625365 349681848 /nfs/dbraw/zinc/68/18/48/349681848.db2.gz MCYMROKFJVPXPG-QGZVFWFLSA-N 0 1 270.376 2.602 20 30 CFEDMN Cc1cc(CNC(C)(C)c2cccc(C#N)c2)nc(C)n1 ZINC000595632933 349684162 /nfs/dbraw/zinc/68/41/62/349684162.db2.gz LIALXZDZNAZCAL-UHFFFAOYSA-N 0 1 280.375 2.990 20 30 CFEDMN N#Cc1ccc(CN2CC[C@H]3COC[C@H]3C2)c(Cl)c1 ZINC000595826857 349743750 /nfs/dbraw/zinc/74/37/50/349743750.db2.gz KFYZHURZDKBOQE-UONOGXRCSA-N 0 1 276.767 2.680 20 30 CFEDMN N#Cc1ccc(NC(=O)CN2CCC[C@@H](CCF)C2)cc1 ZINC000595756281 349725626 /nfs/dbraw/zinc/72/56/26/349725626.db2.gz SGZAYHYAJJLZPK-AWEZNQCLSA-N 0 1 289.354 2.568 20 30 CFEDMN CC[C@@H](NCCC(C)(C)C#N)c1nnc2n1CCCCC2 ZINC000595798814 349734605 /nfs/dbraw/zinc/73/46/05/349734605.db2.gz HGIJCOYKAIOYML-CYBMUJFWSA-N 0 1 289.427 2.985 20 30 CFEDMN N#Cc1cnccc1CN1CCC[C@@H](C2CCC2)C1 ZINC000595832929 349747403 /nfs/dbraw/zinc/74/74/03/349747403.db2.gz KGVFWBVJFJRZPS-CQSZACIVSA-N 0 1 255.365 2.965 20 30 CFEDMN Cc1cnn(CCCCCN2CC[C@@](C)(C#N)C2)c1 ZINC000595839838 349750871 /nfs/dbraw/zinc/75/08/71/349750871.db2.gz MIMPHSKQHHPSQB-HNNXBMFYSA-N 0 1 260.385 2.597 20 30 CFEDMN C[C@@H]1CN(Cc2ccc(C#N)cc2Cl)C[C@]1(C)CO ZINC000595871112 349758335 /nfs/dbraw/zinc/75/83/35/349758335.db2.gz IBOUECPMPAGASX-IAQYHMDHSA-N 0 1 278.783 2.662 20 30 CFEDMN Cn1ncc(C#N)c1NC[C@@H](c1ccco1)N1CCCCC1 ZINC000596054113 349782699 /nfs/dbraw/zinc/78/26/99/349782699.db2.gz LVQXVHUHIQAJDK-AWEZNQCLSA-N 0 1 299.378 2.524 20 30 CFEDMN Cn1ncc(C#N)c1NC[C@H](c1ccco1)N1CCCCC1 ZINC000596054114 349783009 /nfs/dbraw/zinc/78/30/09/349783009.db2.gz LVQXVHUHIQAJDK-CQSZACIVSA-N 0 1 299.378 2.524 20 30 CFEDMN C[C@@H](CN=c1[n-]c(C#N)c(Cl)s1)[N@H+]1CCC[C@@H](C)C1 ZINC000596077596 349788116 /nfs/dbraw/zinc/78/81/16/349788116.db2.gz KXUGRNXWCAFRSW-ZJUUUORDSA-N 0 1 298.843 2.622 20 30 CFEDMN N#Cc1cccc(Cl)c1N[C@H]1CC[N@H+](C2CC2)C1 ZINC000596087257 349791423 /nfs/dbraw/zinc/79/14/23/349791423.db2.gz GZWSLRBAQRBVTJ-NSHDSACASA-N 0 1 261.756 2.860 20 30 CFEDMN N#Cc1cccc(Cl)c1N[C@H]1CCN(C2CC2)C1 ZINC000596087257 349791425 /nfs/dbraw/zinc/79/14/25/349791425.db2.gz GZWSLRBAQRBVTJ-NSHDSACASA-N 0 1 261.756 2.860 20 30 CFEDMN C[C@H](CN=c1[n-]c(C#N)c(Cl)s1)[N@H+]1CCCC[C@@H]1C ZINC000596073034 349787304 /nfs/dbraw/zinc/78/73/04/349787304.db2.gz DHBDIUPVARRQPT-VHSXEESVSA-N 0 1 298.843 2.765 20 30 CFEDMN CCCC[C@@H](COC)Nc1nc(C#N)c(Cl)s1 ZINC000596128941 349801443 /nfs/dbraw/zinc/80/14/43/349801443.db2.gz AHWYPKAZMTUHLR-QMMMGPOBSA-N 0 1 273.789 2.707 20 30 CFEDMN CO[C@H](CNc1nc(C#N)c(Cl)s1)C(C)(C)C ZINC000596144421 349807439 /nfs/dbraw/zinc/80/74/39/349807439.db2.gz FXHCISJXGGYWOG-MRVPVSSYSA-N 0 1 273.789 2.563 20 30 CFEDMN CC[C@]1(C)CCCN([C@H](C(N)=O)c2ccc(C#N)cc2)C1 ZINC000072803173 346941356 /nfs/dbraw/zinc/94/13/56/346941356.db2.gz NNGXCURAGRZSBO-DOTOQJQBSA-N 0 1 285.391 2.597 20 30 CFEDMN Cc1cc(C[C@H](C)Nc2nc3ncccc3cc2C#N)[nH]n1 ZINC000596166618 349815138 /nfs/dbraw/zinc/81/51/38/349815138.db2.gz WTHMLCHBXRMGEZ-JTQLQIEISA-N 0 1 292.346 2.576 20 30 CFEDMN CC(C)c1nc(CNc2c(F)cc(C#N)cc2F)n[nH]1 ZINC000295014376 199300608 /nfs/dbraw/zinc/30/06/08/199300608.db2.gz SXMKOEZYYIQYIN-UHFFFAOYSA-N 0 1 277.278 2.690 20 30 CFEDMN CC[C@@H]1CN(Cc2ccc(C#N)s2)CCS1 ZINC000128044505 187348097 /nfs/dbraw/zinc/34/80/97/187348097.db2.gz LDSFMBPHGBKROW-SNVBAGLBSA-N 0 1 252.408 2.947 20 30 CFEDMN CC[C@H](Nc1nc(C#N)c(Cl)s1)[C@@H]1CCCCO1 ZINC000596296990 349855751 /nfs/dbraw/zinc/85/57/51/349855751.db2.gz ORNUQUTXDRKQRS-WPRPVWTQSA-N 0 1 285.800 2.850 20 30 CFEDMN CC(C)Cc1nsc(NCCc2ccc(C#N)cc2)n1 ZINC000596320523 349862743 /nfs/dbraw/zinc/86/27/43/349862743.db2.gz ATEBTUGSXUZWED-UHFFFAOYSA-N 0 1 286.404 2.685 20 30 CFEDMN CO[C@H](CNc1nc(C#N)c(Cl)s1)C1CCCC1 ZINC000596526744 349930469 /nfs/dbraw/zinc/93/04/69/349930469.db2.gz GJUXYBBANTUPBT-SNVBAGLBSA-N 0 1 285.800 2.707 20 30 CFEDMN C[C@H]1CCCCN1Cc1nnc(-c2cccc(C#N)c2)o1 ZINC000075617535 347088825 /nfs/dbraw/zinc/08/88/25/347088825.db2.gz SAYKVCYURNBSAE-LBPRGKRZSA-N 0 1 282.347 2.983 20 30 CFEDMN CN(Cc1ccc(C#N)cc1)Cc1ccc2c(c1)OCCO2 ZINC000015304681 346235770 /nfs/dbraw/zinc/23/57/70/346235770.db2.gz HULXVIYOJPCJAT-UHFFFAOYSA-N 0 1 294.354 2.961 20 30 CFEDMN N#CC(C(=O)c1cccs1)c1nnc2n1CCCCC2 ZINC000035426700 346320668 /nfs/dbraw/zinc/32/06/68/346320668.db2.gz FINRFWNSQWKTGG-SNVBAGLBSA-N 0 1 286.360 2.556 20 30 CFEDMN Cc1ccc(C(=O)C(C#N)c2nc3ccccc3o2)n1C ZINC000041543000 346352654 /nfs/dbraw/zinc/35/26/54/346352654.db2.gz MEPDMKLKAOPFTD-LLVKDONJSA-N 0 1 279.299 2.965 20 30 CFEDMN Cc1ccc(C(=O)[C@@H](C#N)c2nc3ccccc3o2)n1C ZINC000041543000 346352656 /nfs/dbraw/zinc/35/26/56/346352656.db2.gz MEPDMKLKAOPFTD-LLVKDONJSA-N 0 1 279.299 2.965 20 30 CFEDMN Cc1ccc(C(O)=C(C#N)c2nc3ccccc3o2)n1C ZINC000041543000 346352659 /nfs/dbraw/zinc/35/26/59/346352659.db2.gz MEPDMKLKAOPFTD-LLVKDONJSA-N 0 1 279.299 2.965 20 30 CFEDMN CCCCC(=O)NC1CCN(Cc2cccc(C#N)c2)CC1 ZINC000047819794 346459118 /nfs/dbraw/zinc/45/91/18/346459118.db2.gz WCPQYJOBPKUGBD-UHFFFAOYSA-N 0 1 299.418 2.829 20 30 CFEDMN CC(C)(C)C[N@@H+](CC(=O)[O-])CC(C)(C)CCC#N ZINC000596656127 349970414 /nfs/dbraw/zinc/97/04/14/349970414.db2.gz GTYIYRPBXQVIFT-UHFFFAOYSA-N 0 1 254.374 2.749 20 30 CFEDMN C=CCN(CCC(=O)N(C)C)Cc1ccc(Cl)s1 ZINC000058745536 346649357 /nfs/dbraw/zinc/64/93/57/346649357.db2.gz DYMZUVREAOIKAA-UHFFFAOYSA-N 0 1 286.828 2.868 20 30 CFEDMN CC(C)N(CC(=O)NC1CCCC1)Cc1ccc(C#N)cc1 ZINC000060208191 346661071 /nfs/dbraw/zinc/66/10/71/346661071.db2.gz XBCZPVYQDVOKIY-UHFFFAOYSA-N 0 1 299.418 2.827 20 30 CFEDMN COCCOc1ccccc1CNCc1ccc(C#N)cc1 ZINC000060527841 346667616 /nfs/dbraw/zinc/66/76/16/346667616.db2.gz DJAGKIDKDJLALL-UHFFFAOYSA-N 0 1 296.370 2.873 20 30 CFEDMN CCn1nc(C)c(CNCc2ccc(C#N)cc2)c1C ZINC000066995490 346787682 /nfs/dbraw/zinc/78/76/82/346787682.db2.gz NDISQUVOXJNPEQ-UHFFFAOYSA-N 0 1 268.364 2.681 20 30 CFEDMN C=CCN(Cc1cccs1)C(=O)CN1CCC(C)(C)C1 ZINC000076013301 347113802 /nfs/dbraw/zinc/11/38/02/347113802.db2.gz XCPVKDOHABZJDX-UHFFFAOYSA-N 0 1 292.448 2.995 20 30 CFEDMN C#CCN1CCC(C(=O)N(CCCCC)C(C)C)CC1 ZINC000067211733 346794518 /nfs/dbraw/zinc/79/45/18/346794518.db2.gz IXFDCBBRYXWEOJ-UHFFFAOYSA-N 0 1 278.440 2.759 20 30 CFEDMN Cc1cc(C2CCN(c3nc(C)ccc3C#N)CC2)[nH]n1 ZINC000286720361 136671903 /nfs/dbraw/zinc/67/19/03/136671903.db2.gz FBHLFKDFNWLYSY-UHFFFAOYSA-N 0 1 281.363 2.677 20 30 CFEDMN C=CCCCN(C)C(=O)[C@@H](C)N1CCc2ccccc2C1 ZINC000076650878 347145578 /nfs/dbraw/zinc/14/55/78/347145578.db2.gz MUJSIEZECVADRA-OAHLLOKOSA-N 0 1 286.419 2.858 20 30 CFEDMN N#C[C@@H](c1ccccc1)[C@@H]1CCCN1CCn1cccn1 ZINC000076153998 347126858 /nfs/dbraw/zinc/12/68/58/347126858.db2.gz IUYMJVOHIYMXMI-IRXDYDNUSA-N 0 1 280.375 2.655 20 30 CFEDMN COc1ccc(C#N)cc1CN1CCSC[C@@H]1C1CC1 ZINC000451659389 383678066 /nfs/dbraw/zinc/67/80/66/383678066.db2.gz ZIDPDXZCTQWQIM-OAHLLOKOSA-N 0 1 288.416 2.894 20 30 CFEDMN C=CCCOCCN[C@H](C)c1cccnc1Cl ZINC000090883725 347560428 /nfs/dbraw/zinc/56/04/28/347560428.db2.gz FGZLUFSAVGRRAL-LLVKDONJSA-N 0 1 254.761 2.978 20 30 CFEDMN C=CCCC[C@@H](C)N1CCN(C(=O)C(C)(C)C)CC1 ZINC000091506956 347591320 /nfs/dbraw/zinc/59/13/20/347591320.db2.gz CACZMJUCKOGEHB-CQSZACIVSA-N 0 1 266.429 2.922 20 30 CFEDMN C[C@@H]1C[C@@H](Nc2snc(Cl)c2C#N)CN1C1CC1 ZINC000092672290 347639934 /nfs/dbraw/zinc/63/99/34/347639934.db2.gz ZZGJLQWLILFKEU-HTQZYQBOSA-N 0 1 282.800 2.705 20 30 CFEDMN C=CCN1CC[C@H](Oc2ccc(C(F)(F)F)cn2)C1 ZINC000093319141 347669022 /nfs/dbraw/zinc/66/90/22/347669022.db2.gz OZKLHSYBMSQEFV-NSHDSACASA-N 0 1 272.270 2.740 20 30 CFEDMN CC#CCN[C@H](CC(=O)OC(C)C)c1ccccc1 ZINC000125970123 347831275 /nfs/dbraw/zinc/83/12/75/347831275.db2.gz HYZPYALVQVVWKU-OAHLLOKOSA-N 0 1 259.349 2.682 20 30 CFEDMN N#Cc1cccc(CN[C@H]2CCN(C3CCCCC3)C2=O)c1 ZINC000131611055 347879550 /nfs/dbraw/zinc/87/95/50/347879550.db2.gz NMIVJRAFMCJSFC-KRWDZBQOSA-N 0 1 297.402 2.581 20 30 CFEDMN C#CCCN1CCC(O)(c2ccccc2Cl)CC1 ZINC000145496545 347943792 /nfs/dbraw/zinc/94/37/92/347943792.db2.gz UNZWULUZSKTJEH-UHFFFAOYSA-N 0 1 263.768 2.647 20 30 CFEDMN Cc1cc(C#N)ccc1CN[C@@H](CO)c1ccccc1 ZINC000165289813 348038968 /nfs/dbraw/zinc/03/89/68/348038968.db2.gz IBDFOKGEOYQQED-KRWDZBQOSA-N 0 1 266.344 2.690 20 30 CFEDMN CCc1ccccc1NC(=O)CN(C)CCCCC#N ZINC000198668474 348150487 /nfs/dbraw/zinc/15/04/87/348150487.db2.gz RADGBHLVWOVXDV-UHFFFAOYSA-N 0 1 273.380 2.813 20 30 CFEDMN CCc1nnc(SCc2cn3ccccc3c2C#N)[nH]1 ZINC000198901342 348151810 /nfs/dbraw/zinc/15/18/10/348151810.db2.gz FOJCVAHWLLMPCA-UHFFFAOYSA-N 0 1 283.360 2.784 20 30 CFEDMN CCc1n[nH]c(SCc2cn3ccccc3c2C#N)n1 ZINC000198901342 348151814 /nfs/dbraw/zinc/15/18/14/348151814.db2.gz FOJCVAHWLLMPCA-UHFFFAOYSA-N 0 1 283.360 2.784 20 30 CFEDMN C=CC[C@@H](C(=O)N1CCN(C(C)C)CC1)c1ccccc1 ZINC000188121672 348131717 /nfs/dbraw/zinc/13/17/17/348131717.db2.gz QBTHNCILECFTNI-QGZVFWFLSA-N 0 1 286.419 2.899 20 30 CFEDMN N#C[C@@H]1CC[C@H](Sc2nc(-c3ccccn3)n[nH]2)C1 ZINC000278643797 348338957 /nfs/dbraw/zinc/33/89/57/348338957.db2.gz VMDGFXJJPJNZBU-ZJUUUORDSA-N 0 1 271.349 2.651 20 30 CFEDMN CC1(C)CN(Cc2cccc(C#N)c2F)CCCO1 ZINC000312026574 348416201 /nfs/dbraw/zinc/41/62/01/348416201.db2.gz MJKBWFYDPJQYIJ-UHFFFAOYSA-N 0 1 262.328 2.698 20 30 CFEDMN N#CCCCNCc1ccsc1Br ZINC000388390394 348538612 /nfs/dbraw/zinc/53/86/12/348538612.db2.gz BOQBKDITWYQCDP-UHFFFAOYSA-N 0 1 259.172 2.904 20 30 CFEDMN C[C@@H]1C[N@H+](Cc2ccccc2)C[C@@H]1NCC(C)(C)C#N ZINC000405219087 348596729 /nfs/dbraw/zinc/59/67/29/348596729.db2.gz KNCUTIUQKAUDKZ-ZBFHGGJFSA-N 0 1 271.408 2.646 20 30 CFEDMN COc1ccccc1OCCN1CCC[C@H](CC#N)C1 ZINC000397710070 348563410 /nfs/dbraw/zinc/56/34/10/348563410.db2.gz UTEDNYKDOMTGOH-CQSZACIVSA-N 0 1 274.364 2.700 20 30 CFEDMN COc1ccc(CN2CCC[C@H](CC#N)C2)cc1C#N ZINC000397695544 348563669 /nfs/dbraw/zinc/56/36/69/348563669.db2.gz PSUYLMBCZQDFKL-CYBMUJFWSA-N 0 1 269.348 2.693 20 30 CFEDMN N#Cc1cccc(C(=O)Nc2cccc(Cl)c2O)n1 ZINC000589413568 348831234 /nfs/dbraw/zinc/83/12/34/348831234.db2.gz AWPWJZAIDMEAOS-UHFFFAOYSA-N 0 1 273.679 2.565 20 30 CFEDMN CCn1nccc1C(=O)C(C#N)c1nc(C(C)C)cs1 ZINC000126606714 539683866 /nfs/dbraw/zinc/68/38/66/539683866.db2.gz XDBSDJQBRQBWSR-SNVBAGLBSA-N 0 1 288.376 2.973 20 30 CFEDMN CO[C@]1(C(F)(F)F)CCCN([C@H]2CC[C@@H](C#N)C2)C1 ZINC000590175413 348882591 /nfs/dbraw/zinc/88/25/91/348882591.db2.gz OOLJRPOBUSEQRS-GRYCIOLGSA-N 0 1 276.302 2.722 20 30 CFEDMN CCCCCc1cc(C(=O)N(CC)CCC#N)n[nH]1 ZINC000596889263 350001819 /nfs/dbraw/zinc/00/18/19/350001819.db2.gz AULDDJYKJQRLAF-UHFFFAOYSA-N 0 1 262.357 2.518 20 30 CFEDMN CCN(Cc1cnccn1)[C@H](C)c1ccc(C#N)cc1 ZINC000590951416 348971555 /nfs/dbraw/zinc/97/15/55/348971555.db2.gz HJHQZMLKXLDBQT-CYBMUJFWSA-N 0 1 266.348 2.931 20 30 CFEDMN N#CC1CCN(Cc2ccc(-c3ccccn3)nc2)CC1 ZINC000591842836 349050282 /nfs/dbraw/zinc/05/02/82/349050282.db2.gz SRIMMURVTPOHQK-UHFFFAOYSA-N 0 1 278.359 2.879 20 30 CFEDMN CCc1ncc(CN[C@@H](C)c2cccc(C#N)c2)cn1 ZINC000591257527 349004703 /nfs/dbraw/zinc/00/47/03/349004703.db2.gz GYCQQXGYZUVCOO-LBPRGKRZSA-N 0 1 266.348 2.761 20 30 CFEDMN CCN(CC)Cc1ccc(C(=O)NCC2(C#N)CCC2)o1 ZINC000591323129 349009339 /nfs/dbraw/zinc/00/93/39/349009339.db2.gz XWGKNZMQNZTCFW-UHFFFAOYSA-N 0 1 289.379 2.545 20 30 CFEDMN CCC(CC)N(CCOC)Cc1ccncc1C#N ZINC000592067014 349078664 /nfs/dbraw/zinc/07/86/64/349078664.db2.gz MFDAZNYIFCNGEH-UHFFFAOYSA-N 0 1 261.369 2.590 20 30 CFEDMN CCCN(Cc1ccncc1C#N)[C@@H]1[C@@H]2CCO[C@H]2C1(C)C ZINC000592072066 349079437 /nfs/dbraw/zinc/07/94/37/349079437.db2.gz IFPLIGCLXLDTAX-GVDBMIGSSA-N 0 1 299.418 2.979 20 30 CFEDMN CCCCCN(CCCOC)Cc1ccncc1C#N ZINC000592103249 349083337 /nfs/dbraw/zinc/08/33/37/349083337.db2.gz YBIHDMOYKUVBPN-UHFFFAOYSA-N 0 1 275.396 2.982 20 30 CFEDMN N#Cc1cnccc1CN1CCCC[C@@H]1[C@@H]1CCCC[C@H]1O ZINC000592120481 349086252 /nfs/dbraw/zinc/08/62/52/349086252.db2.gz CISKDLYCYMXACZ-RCCFBDPRSA-N 0 1 299.418 2.859 20 30 CFEDMN N#CC1(CN(Cc2ccccc2)[C@@H](CO)C2CCC2)CC1 ZINC000592139550 349090329 /nfs/dbraw/zinc/09/03/29/349090329.db2.gz OMGXEHQCGFZDFS-KRWDZBQOSA-N 0 1 284.403 2.953 20 30 CFEDMN N#Cc1ccccc1/C=C/c1nc([C@H]2CCCN2)no1 ZINC000592357356 349108073 /nfs/dbraw/zinc/10/80/73/349108073.db2.gz YGPYQZALXMUMPI-SBDDDAINSA-N 0 1 266.304 2.536 20 30 CFEDMN N#C[C@@H]1CC[C@H](N[C@@H](CCO)c2ccccc2F)C1 ZINC000592404005 349117651 /nfs/dbraw/zinc/11/76/51/349117651.db2.gz UGCZTNZGUZHWOI-XUJVJEKNSA-N 0 1 262.328 2.531 20 30 CFEDMN COc1ccc(C2CCN(Cc3ccc(C#N)o3)CC2)nc1 ZINC000593643886 349303286 /nfs/dbraw/zinc/30/32/86/349303286.db2.gz IDAPQNOJABUBHP-UHFFFAOYSA-N 0 1 297.358 2.934 20 30 CFEDMN C[C@H](CNC(=O)CCCCC#N)N1CCc2ccccc2C1 ZINC000593960175 349340798 /nfs/dbraw/zinc/34/07/98/349340798.db2.gz NKURQKXDHIIMSL-OAHLLOKOSA-N 0 1 299.418 2.633 20 30 CFEDMN N#Cc1ccc2ncc(CN3CCC34CCCC4)n2c1 ZINC000593647016 349304271 /nfs/dbraw/zinc/30/42/71/349304271.db2.gz VLQVLKHITGIWIU-UHFFFAOYSA-N 0 1 266.348 2.724 20 30 CFEDMN N#CCCCCC(=O)NCc1nc2ccc(Cl)cc2[nH]1 ZINC000594288425 349405364 /nfs/dbraw/zinc/40/53/64/349405364.db2.gz XYHDQCTXVXPYTM-UHFFFAOYSA-N 0 1 290.754 2.916 20 30 CFEDMN Cc1[nH]nc2cc(NC(=O)CCCCC#N)ccc12 ZINC000594335482 349408332 /nfs/dbraw/zinc/40/83/32/349408332.db2.gz QAFHJVPVYZEAHM-UHFFFAOYSA-N 0 1 256.309 2.894 20 30 CFEDMN C[C@@H]1[C@H](C)OCCN1Cc1ccc(C2(C#N)CC2)cc1 ZINC000597011420 350016000 /nfs/dbraw/zinc/01/60/00/350016000.db2.gz WXXWZDAYWYKMQP-KGLIPLIRSA-N 0 1 270.376 2.851 20 30 CFEDMN COCCc1ccc(OC[C@H](C)NCC(C)(C)C#N)cc1 ZINC000597082202 350026714 /nfs/dbraw/zinc/02/67/14/350026714.db2.gz GYKANXWCRAMYQI-AWEZNQCLSA-N 0 1 290.407 2.782 20 30 CFEDMN CCC(C)(C)N1CCN(C(=O)c2cccc(C#N)c2)CC1 ZINC000594389128 349413832 /nfs/dbraw/zinc/41/38/32/349413832.db2.gz FOSFORRKARPCFJ-UHFFFAOYSA-N 0 1 285.391 2.505 20 30 CFEDMN CCCCCc1cc(C(=O)N(C)[C@H](C)CC#N)n[nH]1 ZINC000597144439 350038042 /nfs/dbraw/zinc/03/80/42/350038042.db2.gz RCLSJOFBMDEKOZ-LLVKDONJSA-N 0 1 262.357 2.517 20 30 CFEDMN COc1cccc(CN2CCC[C@H](CC#N)C2)c1OC ZINC000597173314 350043128 /nfs/dbraw/zinc/04/31/28/350043128.db2.gz IILPRONROVHYDW-CYBMUJFWSA-N 0 1 274.364 2.829 20 30 CFEDMN N#CC[C@@H]1CCCN(Cc2cccc3c2OCO3)C1 ZINC000597175272 350044568 /nfs/dbraw/zinc/04/45/68/350044568.db2.gz XLWONZCVTQSYCJ-LBPRGKRZSA-N 0 1 258.321 2.541 20 30 CFEDMN CCN1C[C@@H](C)N(C(=O)CC2(C#N)CCCCC2)C[C@@H]1C ZINC000597466852 350100396 /nfs/dbraw/zinc/10/03/96/350100396.db2.gz INTRVEPAPBGPCM-LSDHHAIUSA-N 0 1 291.439 2.792 20 30 CFEDMN Cc1cc(C[C@@H](C)NC(=O)CC2(C#N)CCCCC2)n[nH]1 ZINC000597404582 350094083 /nfs/dbraw/zinc/09/40/83/350094083.db2.gz KNWQLWSWDGCMKT-GFCCVEGCSA-N 0 1 288.395 2.630 20 30 CFEDMN C[C@H]1CN(Cc2ccc(C#N)o2)CCN1Cc1ccccc1 ZINC000414513967 233277159 /nfs/dbraw/zinc/27/71/59/233277159.db2.gz QKSPDEYOBVGYQY-HNNXBMFYSA-N 0 1 295.386 2.858 20 30 CFEDMN C[C@H](CC#N)C(=O)Nc1cc(Cl)c(O)cc1F ZINC000597651849 350120193 /nfs/dbraw/zinc/12/01/93/350120193.db2.gz NSZXJIBCUKQLBW-ZCFIWIBFSA-N 0 1 256.664 2.673 20 30 CFEDMN N#Cc1ccccc1/C=C\c1nc(C2(N)CCCC2)no1 ZINC000414614591 233302769 /nfs/dbraw/zinc/30/27/69/233302769.db2.gz HGUQJLBJRXGAIB-FPLPWBNLSA-N 0 1 280.331 2.840 20 30 CFEDMN C=CCCO[C@@H](C)C(=O)Nc1c(C)n[nH]c1C(F)F ZINC000271325714 191074129 /nfs/dbraw/zinc/07/41/29/191074129.db2.gz YFBCLTMXVYMBSR-QMMMGPOBSA-N 0 1 273.283 2.575 20 30 CFEDMN CCCCCc1cc(C(=O)N(CC)[C@H](C)C#N)n[nH]1 ZINC000598348665 350242727 /nfs/dbraw/zinc/24/27/27/350242727.db2.gz HIVKGDMXXPOEEK-LLVKDONJSA-N 0 1 262.357 2.517 20 30 CFEDMN CN(Cc1ccccc1F)C[C@H](O)CC(C)(C)C#N ZINC000598584080 350285417 /nfs/dbraw/zinc/28/54/17/350285417.db2.gz IPBRMLFZHYQHTL-CYBMUJFWSA-N 0 1 264.344 2.558 20 30 CFEDMN CC(C)(C#N)C[C@@H](O)CN1CC[C@H]1c1ccc(F)cc1 ZINC000598626960 350296386 /nfs/dbraw/zinc/29/63/86/350296386.db2.gz MQFOZYXGQMPSDO-CABCVRRESA-N 0 1 276.355 2.873 20 30 CFEDMN CC(C)(C#N)C[C@@H](O)CN1CC(C)(C)[C@H]1c1ccncc1 ZINC000598628970 350297189 /nfs/dbraw/zinc/29/71/89/350297189.db2.gz WDSXGTGDLRPJCW-HUUCEWRRSA-N 0 1 287.407 2.765 20 30 CFEDMN COc1ccc(C#N)cc1CN1CC(C)(C)CC[C@@H]1CO ZINC000598646192 350300449 /nfs/dbraw/zinc/30/04/49/350300449.db2.gz CQIHAGFWRKQEEX-OAHLLOKOSA-N 0 1 288.391 2.550 20 30 CFEDMN C[C@@H]1CCN(Cc2ccc(C#N)cc2Cl)C[C@H]1CO ZINC000598649162 350302247 /nfs/dbraw/zinc/30/22/47/350302247.db2.gz WXVNMKHARODATC-RISCZKNCSA-N 0 1 278.783 2.662 20 30 CFEDMN C[C@@H]1[C@H](C)N(C(=O)CC2(C#N)CCCCC2)[C@@H](C)CN1C ZINC000598846431 350338773 /nfs/dbraw/zinc/33/87/73/350338773.db2.gz IEMHPYXSRTWYKF-ZNMIVQPWSA-N 0 1 291.439 2.790 20 30 CFEDMN C[C@@H](CC#N)C(=O)Nc1nc2cc(Cl)c(F)cc2[nH]1 ZINC000598893601 350345595 /nfs/dbraw/zinc/34/55/95/350345595.db2.gz XKBGAUSRKLPMLU-LURJTMIESA-N 0 1 280.690 2.844 20 30 CFEDMN COc1ccc2nc(S[C@H](C#N)C3CC3)[nH]c2c1 ZINC000598912161 350346869 /nfs/dbraw/zinc/34/68/69/350346869.db2.gz JVJKXGLFKBFDQQ-GFCCVEGCSA-N 0 1 259.334 2.966 20 30 CFEDMN CCOc1cc(CNCCCC#N)c(F)cc1OC ZINC000598972382 350351837 /nfs/dbraw/zinc/35/18/37/350351837.db2.gz QKPQMQNYKYRXCV-UHFFFAOYSA-N 0 1 266.316 2.626 20 30 CFEDMN Cn1cc2c(n1)CCC[C@@H]2NCc1ccc(C#N)s1 ZINC000283131486 282688922 /nfs/dbraw/zinc/68/89/22/282688922.db2.gz ZSGKTWLEZPDVMN-ZDUSSCGKSA-N 0 1 272.377 2.520 20 30 CFEDMN CCC(C#N)(CC)C(=O)NC[C@@H](c1ccsc1)N(C)C ZINC000599035886 350362995 /nfs/dbraw/zinc/36/29/95/350362995.db2.gz PCVSSFLUWWMXDD-ZDUSSCGKSA-N 0 1 293.436 2.797 20 30 CFEDMN CC[C@H](C#N)C(=O)Nc1nc2cc(Cl)c(F)cc2[nH]1 ZINC000598782973 350329801 /nfs/dbraw/zinc/32/98/01/350329801.db2.gz ZNVDSTFZYPSPOH-ZCFIWIBFSA-N 0 1 280.690 2.844 20 30 CFEDMN CCOC(=O)C1CCN(Cc2ccc(C)c(C#N)c2)CC1 ZINC000599256469 350400448 /nfs/dbraw/zinc/40/04/48/350400448.db2.gz AZGWPEFLNKXFMQ-UHFFFAOYSA-N 0 1 286.375 2.642 20 30 CFEDMN C=CC[C@@H]1CCN(Cc2cccc(C(=O)OC)c2C#N)C1 ZINC000599526696 350450789 /nfs/dbraw/zinc/45/07/89/350450789.db2.gz POMFQTXYEXYSPW-CYBMUJFWSA-N 0 1 284.359 2.743 20 30 CFEDMN CC(C)[C@@](C)(C#N)NC(=O)CN1CC(C)(C)CCC1(C)C ZINC000599538773 350453074 /nfs/dbraw/zinc/45/30/74/350453074.db2.gz RXFGCDBNILZEDA-QGZVFWFLSA-N 0 1 293.455 2.941 20 30 CFEDMN C=C(C)CN1CCC(c2ncc(C(=O)OC)s2)CC1 ZINC000599554436 350455400 /nfs/dbraw/zinc/45/54/00/350455400.db2.gz DQYUGHBLBSOBGB-UHFFFAOYSA-N 0 1 280.393 2.685 20 30 CFEDMN N#CC1(C[C@@H](O)CN2CC[C@H]2c2ccc(F)cc2)CC1 ZINC000599465763 350441589 /nfs/dbraw/zinc/44/15/89/350441589.db2.gz QPGFQQMZRNULAV-CABCVRRESA-N 0 1 274.339 2.627 20 30 CFEDMN N#Cc1cnc(NC[C@@H](c2ccco2)N2CCCCC2)cn1 ZINC000106462328 186118620 /nfs/dbraw/zinc/11/86/20/186118620.db2.gz NROPPENMFIUACS-AWEZNQCLSA-N 0 1 297.362 2.580 20 30 CFEDMN CCC(O)(CC)CN(C)Cc1cc(F)ccc1C#N ZINC000599673047 350478302 /nfs/dbraw/zinc/47/83/02/350478302.db2.gz IOWILGTWPATCPP-UHFFFAOYSA-N 0 1 264.344 2.680 20 30 CFEDMN C=CC(C)(C)CCNC(=O)c1cc(O)cc([N+](=O)[O-])c1 ZINC000600164947 350526956 /nfs/dbraw/zinc/52/69/56/350526956.db2.gz LKAFQNDMAXQUQY-UHFFFAOYSA-N 0 1 278.308 2.633 20 30 CFEDMN Cc1ccc(C[N@@H+]2C[C@@H](C(=O)[O-])CC[C@@H]2C)cc1C#N ZINC000600706284 350598225 /nfs/dbraw/zinc/59/82/25/350598225.db2.gz DQFFNDRAVPPOFL-JSGCOSHPSA-N 0 1 272.348 2.552 20 30 CFEDMN CC(C)(C)c1csc(CNC[C@H](O)CC2(C#N)CC2)n1 ZINC000600722398 350601461 /nfs/dbraw/zinc/60/14/61/350601461.db2.gz PNCIDYVQSUECFE-LLVKDONJSA-N 0 1 293.436 2.585 20 30 CFEDMN N#Cc1ccccc1CN1CCC(n2ccnc2)CC1 ZINC000109795877 186271944 /nfs/dbraw/zinc/27/19/44/186271944.db2.gz ORLQSPSFURLQEN-UHFFFAOYSA-N 0 1 266.348 2.592 20 30 CFEDMN N#Cc1ccc(CN2CCC(n3ccnc3)CC2)c(F)c1 ZINC000109794517 186271469 /nfs/dbraw/zinc/27/14/69/186271469.db2.gz ZWKZADSZYMWYEG-UHFFFAOYSA-N 0 1 284.338 2.731 20 30 CFEDMN COc1ccc(-c2cccc([C@H]3COCCN3)c2)cc1C#N ZINC000600790461 350612781 /nfs/dbraw/zinc/61/27/81/350612781.db2.gz ZLBCVCSBCBGBQS-QGZVFWFLSA-N 0 1 294.354 2.895 20 30 CFEDMN C[C@@H]1C[C@@H](Nc2ncc(C#N)c3ccsc32)C[N@H+]1C1CC1 ZINC000601127871 350675876 /nfs/dbraw/zinc/67/58/76/350675876.db2.gz TUDQWUVCLSLOAP-ZYHUDNBSSA-N 0 1 298.415 2.627 20 30 CFEDMN C[C@@H](Cc1ccc(Cl)cc1)N1CCN(CCC#N)CC1 ZINC000601315172 350721273 /nfs/dbraw/zinc/72/12/73/350721273.db2.gz GHVKOBHNHRKXHF-AWEZNQCLSA-N 0 1 291.826 2.802 20 30 CFEDMN C[C@@H]1CC[C@@H](C)N1CC(=O)Nc1cc(F)cc(C#N)c1 ZINC000601713075 350767127 /nfs/dbraw/zinc/76/71/27/350767127.db2.gz ANEGDMUGIRINSA-GHMZBOCLSA-N 0 1 275.327 2.509 20 30 CFEDMN C[C@H](c1ccc(C#N)cc1)N(C)[C@@H]1CCCCN(C)C1=O ZINC000601970841 350821919 /nfs/dbraw/zinc/82/19/19/350821919.db2.gz QNJXAAFTPNTFPK-CZUORRHYSA-N 0 1 285.391 2.562 20 30 CFEDMN CCCCCc1cc(C(=O)N(C)[C@H]2CCC[C@@H]2C#N)n[nH]1 ZINC000601809854 350781522 /nfs/dbraw/zinc/78/15/22/350781522.db2.gz ZWCLQROLYZWNQP-DOMZBBRYSA-N 0 1 288.395 2.907 20 30 CFEDMN CN(C(=O)C(C#N)CCc1ccccc1)[C@@H]1CCC[C@H]1C#N ZINC000601824389 350787054 /nfs/dbraw/zinc/78/70/54/350787054.db2.gz ZAVQJQKXPLWTJW-YESZJQIVSA-N 0 1 295.386 2.910 20 30 CFEDMN Cc1ccc(C[C@@H](CO)NCc2cccc(F)c2C#N)cc1 ZINC000602016303 350832129 /nfs/dbraw/zinc/83/21/29/350832129.db2.gz GBCYXGKIOBUSQG-INIZCTEOSA-N 0 1 298.361 2.699 20 30 CFEDMN C[C@@H](Cc1ccccn1)NCc1cccc(F)c1C#N ZINC000602018907 350833027 /nfs/dbraw/zinc/83/30/27/350833027.db2.gz AXMLNNQBXSYPBZ-LBPRGKRZSA-N 0 1 269.323 2.813 20 30 CFEDMN CC1CCC(O)(CNCc2cccc(F)c2C#N)CC1 ZINC000602018893 350833116 /nfs/dbraw/zinc/83/31/16/350833116.db2.gz ATBLXADFTYOIRN-UHFFFAOYSA-N 0 1 276.355 2.728 20 30 CFEDMN CO[C@@H](CNCc1cccc(F)c1C#N)CC(C)C ZINC000602022596 350833855 /nfs/dbraw/zinc/83/38/55/350833855.db2.gz ZHOTWJYTBZVCNU-CYBMUJFWSA-N 0 1 264.344 2.848 20 30 CFEDMN CC(C)O[C@H]1C[C@@H](NCc2cccc(F)c2C#N)C1 ZINC000602020720 350834112 /nfs/dbraw/zinc/83/41/12/350834112.db2.gz SFAHGTXYJVZGTD-BETUJISGSA-N 0 1 262.328 2.743 20 30 CFEDMN COC1(CNCc2cccc(F)c2C#N)CCCC1 ZINC000602026498 350834770 /nfs/dbraw/zinc/83/47/70/350834770.db2.gz XFGKLIYSIMDPIQ-UHFFFAOYSA-N 0 1 262.328 2.746 20 30 CFEDMN COCC1(NCc2cccc(F)c2C#N)CCCC1 ZINC000602029403 350835995 /nfs/dbraw/zinc/83/59/95/350835995.db2.gz VYMLZTCIEWEHDY-UHFFFAOYSA-N 0 1 262.328 2.746 20 30 CFEDMN Cc1ccncc1CCNCc1cccc(F)c1C#N ZINC000602028506 350836018 /nfs/dbraw/zinc/83/60/18/350836018.db2.gz OAHJZWPUVKNSRZ-UHFFFAOYSA-N 0 1 269.323 2.733 20 30 CFEDMN C[C@@H](c1ccccc1)[C@@H](O)CNCc1cccc(F)c1C#N ZINC000602029368 350836239 /nfs/dbraw/zinc/83/62/39/350836239.db2.gz VHBMXHPCVCTDTB-UGSOOPFHSA-N 0 1 298.361 2.952 20 30 CFEDMN Cc1ccc(C#N)cc1NC(=O)CN(C)CC(C)(C)C ZINC000602087677 350839084 /nfs/dbraw/zinc/83/90/84/350839084.db2.gz ZYEXYKHWKMXMQP-UHFFFAOYSA-N 0 1 273.380 2.783 20 30 CFEDMN CCC(CC)CN(CCC#N)C(=O)[C@@H]1CCCCN1C ZINC000602093548 350839587 /nfs/dbraw/zinc/83/95/87/350839587.db2.gz HSELOMDSMOORJG-HNNXBMFYSA-N 0 1 279.428 2.649 20 30 CFEDMN CC[C@H](C)CN(C)CC(=O)Nc1oc(C)c(C)c1C#N ZINC000111254594 186380004 /nfs/dbraw/zinc/38/00/04/186380004.db2.gz PYEZDHHQWITXSH-JTQLQIEISA-N 0 1 277.368 2.685 20 30 CFEDMN Cc1ccc(CCNCc2cccc(F)c2C#N)o1 ZINC000602004429 350828430 /nfs/dbraw/zinc/82/84/30/350828430.db2.gz MDHSNOBFWBNHGH-UHFFFAOYSA-N 0 1 258.296 2.931 20 30 CFEDMN COC(=O)c1ccc2c(c1)CN(C[C@@H](C)CCC#N)C2 ZINC000602477446 350898326 /nfs/dbraw/zinc/89/83/26/350898326.db2.gz WZXGKZFAYDRUFH-LBPRGKRZSA-N 0 1 272.348 2.729 20 30 CFEDMN C[C@H](NCc1cccc(C#N)n1)c1ccc2c(c1)OCCO2 ZINC000602503187 350906973 /nfs/dbraw/zinc/90/69/73/350906973.db2.gz OBWZCZWTWRJFJT-LBPRGKRZSA-N 0 1 295.342 2.575 20 30 CFEDMN Cc1csc(CN[C@H](C)CC2(C#N)CCOCC2)n1 ZINC000602511449 350910600 /nfs/dbraw/zinc/91/06/00/350910600.db2.gz RYCUCJBDWPDNQZ-LLVKDONJSA-N 0 1 279.409 2.640 20 30 CFEDMN Cc1nc(C2(NC[C@@H](C)CCC#N)CCCC2)no1 ZINC000602527568 350914942 /nfs/dbraw/zinc/91/49/42/350914942.db2.gz RVDQYCUPFIGRGO-NSHDSACASA-N 0 1 262.357 2.677 20 30 CFEDMN N#CC1CCC(N[C@@H](CO)c2c(F)cccc2F)CC1 ZINC000602547081 350920382 /nfs/dbraw/zinc/92/03/82/350920382.db2.gz POKQRAWXGVSJRS-MGULZYLOSA-N 0 1 280.318 2.670 20 30 CFEDMN CCN(C[C@H](C)C#N)C[C@H]1CCN(c2ccccc2)C1 ZINC000602448511 350887514 /nfs/dbraw/zinc/88/75/14/350887514.db2.gz VQOSBUCBMOXEFZ-HZPDHXFCSA-N 0 1 271.408 2.994 20 30 CFEDMN N#Cc1cccc(CN2CCC[C@@H]2c2ccc(O)cc2)n1 ZINC000602453742 350889071 /nfs/dbraw/zinc/88/90/71/350889071.db2.gz JJZHBSODVTXJNG-QGZVFWFLSA-N 0 1 279.343 2.996 20 30 CFEDMN C[C@H](CC#N)N(C)[C@@H](c1nnc[nH]1)C1CCCCC1 ZINC000602461212 350889964 /nfs/dbraw/zinc/88/99/64/350889964.db2.gz DOILXTBQHRHMOR-DGCLKSJQSA-N 0 1 261.373 2.660 20 30 CFEDMN N#Cc1cccc(CN2CCCO[C@@H](c3ccccc3)C2)n1 ZINC000602460019 350890369 /nfs/dbraw/zinc/89/03/69/350890369.db2.gz QWVHQQWVFWEGFS-GOSISDBHSA-N 0 1 293.370 2.917 20 30 CFEDMN CN(Cc1cccc(C#N)n1)[C@@H](CCO)c1ccccc1 ZINC000602473514 350896530 /nfs/dbraw/zinc/89/65/30/350896530.db2.gz UPOAXCSCHSSZMP-KRWDZBQOSA-N 0 1 281.359 2.509 20 30 CFEDMN N#Cc1cccc(CN2CCS[C@@H]3CCCC[C@H]32)n1 ZINC000602475045 350897285 /nfs/dbraw/zinc/89/72/85/350897285.db2.gz IBMFWODDTGJILG-HUUCEWRRSA-N 0 1 273.405 2.813 20 30 CFEDMN CO[C@@H](CNCC1(C#N)CCC1)C1CCCCC1 ZINC000602694172 350982639 /nfs/dbraw/zinc/98/26/39/350982639.db2.gz GVXBIJNNRFSVRT-AWEZNQCLSA-N 0 1 250.386 2.865 20 30 CFEDMN C[C@H](CCC#N)CN1CCNC(=O)[C@H]1CC1CCCCC1 ZINC000602697670 350984750 /nfs/dbraw/zinc/98/47/50/350984750.db2.gz KZRCONKIYOMCPG-GDBMZVCRSA-N 0 1 291.439 2.697 20 30 CFEDMN COc1cncc(CN2CCC[C@@H](CC#N)C2)c1C ZINC000602708593 350992000 /nfs/dbraw/zinc/99/20/00/350992000.db2.gz QILSWURZHZRVTD-ZDUSSCGKSA-N 0 1 259.353 2.524 20 30 CFEDMN CN(CC[N@@H+](C)CC1(CC#N)CC1)c1ccccc1 ZINC000602778594 351021393 /nfs/dbraw/zinc/02/13/93/351021393.db2.gz ZHVYBBLSHQQXAM-UHFFFAOYSA-N 0 1 257.381 2.748 20 30 CFEDMN N#CCC1(CN2CCC(Oc3ncccc3F)CC2)CC1 ZINC000602817546 351035895 /nfs/dbraw/zinc/03/58/95/351035895.db2.gz JKDIHGLCAAPCHL-UHFFFAOYSA-N 0 1 289.354 2.758 20 30 CFEDMN N#CCC1(CN2CCC=C(c3ccccn3)C2)CC1 ZINC000602839649 351041965 /nfs/dbraw/zinc/04/19/65/351041965.db2.gz KSJDRVBNODRSOZ-UHFFFAOYSA-N 0 1 253.349 2.865 20 30 CFEDMN CCn1cc(CN(CC2(CC#N)CC2)C(C)C)cn1 ZINC000602866363 351051816 /nfs/dbraw/zinc/05/18/16/351051816.db2.gz PDTXIIZEXRNXKS-UHFFFAOYSA-N 0 1 260.385 2.807 20 30 CFEDMN N#Cc1ccc(CN2CCC[C@@H]2c2cn[nH]c2)cc1 ZINC000602879478 351056139 /nfs/dbraw/zinc/05/61/39/351056139.db2.gz FZLKEAWFPZEFEE-OAHLLOKOSA-N 0 1 252.321 2.618 20 30 CFEDMN N#Cc1ccc(CN2CCC[C@H]2c2cn[nH]c2)cc1 ZINC000602879477 351056463 /nfs/dbraw/zinc/05/64/63/351056463.db2.gz FZLKEAWFPZEFEE-HNNXBMFYSA-N 0 1 252.321 2.618 20 30 CFEDMN N#Cc1ccc(CCN2CCC[C@@H]2c2ncccn2)cc1 ZINC000602897359 351060469 /nfs/dbraw/zinc/06/04/69/351060469.db2.gz IXRCTQJRXYYUEJ-MRXNPFEDSA-N 0 1 278.359 2.728 20 30 CFEDMN CN1CCN(C(=O)CCCCCC#N)C[C@@H]1C(C)(C)C ZINC000603145661 351110497 /nfs/dbraw/zinc/11/04/97/351110497.db2.gz OZJLUWCQZFIYOW-CQSZACIVSA-N 0 1 279.428 2.649 20 30 CFEDMN CC(C)(C#N)CCCn1cc([C@@H](N)c2ccccc2)nn1 ZINC000603260716 351126504 /nfs/dbraw/zinc/12/65/04/351126504.db2.gz OVEQVNVQGPXZBC-HNNXBMFYSA-N 0 1 283.379 2.656 20 30 CFEDMN Cc1ncc([C@H](C)NCc2ccnc(C#N)c2)s1 ZINC000602958352 351072590 /nfs/dbraw/zinc/07/25/90/351072590.db2.gz XASWZPRRGRRKOA-VIFPVBQESA-N 0 1 258.350 2.569 20 30 CFEDMN CN(CCC(=O)Nc1ccccc1C#N)[C@H]1CCC[C@@H]1C#N ZINC000602980296 351081221 /nfs/dbraw/zinc/08/12/21/351081221.db2.gz OGVVYGQVVPXHRM-ZBFHGGJFSA-N 0 1 296.374 2.511 20 30 CFEDMN CN(C[C@H](O)CCc1ccccc1)[C@@H]1CCC[C@@H]1C#N ZINC000602980510 351082563 /nfs/dbraw/zinc/08/25/63/351082563.db2.gz QTKRRYWMZFKECL-BRWVUGGUSA-N 0 1 272.392 2.604 20 30 CFEDMN Cc1[nH]n(-c2ccc(Cl)cc2)c(=O)c1CCC#N ZINC000603924127 351192034 /nfs/dbraw/zinc/19/20/34/351192034.db2.gz ZLYTUKXNMDRWSL-LBPRGKRZSA-N 0 1 261.712 2.982 20 30 CFEDMN CCOc1ccc(-n2[nH]c(C)c(CCC#N)c2=O)cc1 ZINC000603921277 351192070 /nfs/dbraw/zinc/19/20/70/351192070.db2.gz ORAOMDMOFAHPFB-AWEZNQCLSA-N 0 1 271.320 2.728 20 30 CFEDMN N#Cc1ccc(C2(NCc3ccncc3N)CCC2)cc1 ZINC000603433840 351163991 /nfs/dbraw/zinc/16/39/91/351163991.db2.gz WPPAHOKFJPOXDU-UHFFFAOYSA-N 0 1 278.359 2.704 20 30 CFEDMN CCN(CCC#N)C(=O)CN(C)[C@@H]1CCCc2ccccc21 ZINC000603846552 351185599 /nfs/dbraw/zinc/18/55/99/351185599.db2.gz KIMXIAUFZBJWJV-QGZVFWFLSA-N 0 1 299.418 2.758 20 30 CFEDMN CN(C(=O)c1cc(-c2ccoc2)n[nH]1)c1cccc(C#N)c1 ZINC000604439175 351212814 /nfs/dbraw/zinc/21/28/14/351212814.db2.gz YFRIKLPTKQLIJV-UHFFFAOYSA-N 0 1 292.298 2.818 20 30 CFEDMN Cc1ccccc1CN1CCN([C@H](C#N)C(C)C)CC1 ZINC000609486115 351503521 /nfs/dbraw/zinc/50/35/21/351503521.db2.gz DFGVJODPUSQAQV-QGZVFWFLSA-N 0 1 271.408 2.661 20 30 CFEDMN C[C@@H](NC(=O)[C@@H]1CCCc2[nH]ncc21)c1cccc(C#N)c1 ZINC000610712193 351595436 /nfs/dbraw/zinc/59/54/36/351595436.db2.gz YQKVQCAVPSHGBT-BXUZGUMPSA-N 0 1 294.358 2.579 20 30 CFEDMN C[C@]1(c2ccccc2)C[C@H]1NC[C@H](C#N)CCC#N ZINC000610342526 351555909 /nfs/dbraw/zinc/55/59/09/351555909.db2.gz FEXULPMAUDLWDJ-NUEKZKHPSA-N 0 1 253.349 2.750 20 30 CFEDMN Cc1ncc(CN[C@H](C)c2cccc(C#N)c2)cn1 ZINC000610344967 351557051 /nfs/dbraw/zinc/55/70/51/351557051.db2.gz PHIXACBGPQRRFQ-LLVKDONJSA-N 0 1 252.321 2.508 20 30 CFEDMN CCCCNC(=O)[C@@H](C)N[C@H](C)c1cccc(C#N)c1 ZINC000610346013 351557109 /nfs/dbraw/zinc/55/71/09/351557109.db2.gz HOCMIUHSIPPSBH-CHWSQXEVSA-N 0 1 273.380 2.514 20 30 CFEDMN C[C@H](NC(=O)c1ccc(F)cc1O)c1cccc(C#N)c1 ZINC000611005973 351633607 /nfs/dbraw/zinc/63/36/07/351633607.db2.gz OHIHNOASLJWEKQ-JTQLQIEISA-N 0 1 284.290 2.894 20 30 CFEDMN N#CCCN(Cc1[nH]nc2ccccc21)Cc1ccccn1 ZINC000611268655 351661468 /nfs/dbraw/zinc/66/14/68/351661468.db2.gz BGKYFCINFYSMJN-UHFFFAOYSA-N 0 1 291.358 2.874 20 30 CFEDMN COc1ccc(C#N)cc1CN(C)CCOC(C)(C)C ZINC000610967463 351626038 /nfs/dbraw/zinc/62/60/38/351626038.db2.gz KNLRTNYLYZVHDJ-UHFFFAOYSA-N 0 1 276.380 2.814 20 30 CFEDMN N#Cc1cc(CN2CCCO[C@H](c3ccccc3)C2)ccn1 ZINC000610992390 351630387 /nfs/dbraw/zinc/63/03/87/351630387.db2.gz AEHUHGBXIFWMCS-SFHVURJKSA-N 0 1 293.370 2.917 20 30 CFEDMN C[C@@H](N[C@@H](C)C(=O)NC1CCCC1)c1cccc(C#N)c1 ZINC000611387165 351678171 /nfs/dbraw/zinc/67/81/71/351678171.db2.gz FYVFEMKITSTCCP-OLZOCXBDSA-N 0 1 285.391 2.656 20 30 CFEDMN CC[C@@H]1CCCCN1C(=O)CN[C@H](C)c1cccc(C#N)c1 ZINC000611388100 351679546 /nfs/dbraw/zinc/67/95/46/351679546.db2.gz WZPZJLLVUWHHCL-RHSMWYFYSA-N 0 1 299.418 3.000 20 30 CFEDMN CCC(O)(CC)CN(C)Cc1cc(C#N)ccc1F ZINC000611471103 351694053 /nfs/dbraw/zinc/69/40/53/351694053.db2.gz CVGWBWIOQNKDSQ-UHFFFAOYSA-N 0 1 264.344 2.680 20 30 CFEDMN COc1ccc(CN(C)Cc2ccc(CC#N)cc2)cn1 ZINC000612104216 351775287 /nfs/dbraw/zinc/77/52/87/351775287.db2.gz FQPDIBWWGZXFHS-UHFFFAOYSA-N 0 1 281.359 2.788 20 30 CFEDMN CCOC(=O)CCCCCN1CCC[C@@](C)(C#N)C1 ZINC000612164887 351783425 /nfs/dbraw/zinc/78/34/25/351783425.db2.gz JVHATBAFGGHOCW-HNNXBMFYSA-N 0 1 266.385 2.736 20 30 CFEDMN CCn1nccc1CN[C@H]1CCCc2cc(C#N)ccc21 ZINC000418147873 233790201 /nfs/dbraw/zinc/79/02/01/233790201.db2.gz RYZDNUSGKIDCSO-KRWDZBQOSA-N 0 1 280.375 2.942 20 30 CFEDMN C=CCCCS(=O)(=O)Nc1cc2cn[nH]c2cc1C ZINC000291910621 198102612 /nfs/dbraw/zinc/10/26/12/198102612.db2.gz SFYCMSMYRDAGGE-UHFFFAOYSA-N 0 1 279.365 2.579 20 30 CFEDMN N#C[C@H]1CCC[C@@H](Nc2cnn(-c3ccncc3)c2)C1 ZINC000613255843 351925972 /nfs/dbraw/zinc/92/59/72/351925972.db2.gz OKMSLMXOHLCRDB-QWHCGFSZSA-N 0 1 267.336 2.762 20 30 CFEDMN CC[C@@H](CC#N)NC(=O)c1ccc(CN(CC)CC)o1 ZINC000613037957 351893346 /nfs/dbraw/zinc/89/33/46/351893346.db2.gz RQYOODVVFJJIBP-LBPRGKRZSA-N 0 1 277.368 2.543 20 30 CFEDMN CC(C)(C)c1ccc(C#N)c(N2CC[C@@H](N3CC=CC3)C2)n1 ZINC000613425983 351956412 /nfs/dbraw/zinc/95/64/12/351956412.db2.gz NHQOKWDAJBYOTL-OAHLLOKOSA-N 0 1 296.418 2.701 20 30 CFEDMN C[C@@H]1CN(c2nc(C(C)(C)C)ccc2C#N)[C@H](C)CN1C ZINC000613431417 351958185 /nfs/dbraw/zinc/95/81/85/351958185.db2.gz ZOQSRRIGUGEOMP-CHWSQXEVSA-N 0 1 286.423 2.780 20 30 CFEDMN C[C@@H]1CN(C2CC2)C[C@@H]1Nc1snc(Cl)c1C#N ZINC000271455531 191147034 /nfs/dbraw/zinc/14/70/34/191147034.db2.gz ZNEWDDZMCIIDMS-XCBNKYQSSA-N 0 1 282.800 2.563 20 30 CFEDMN CCCNC(=O)CN(CCC)Cc1ccc(C#N)cc1C ZINC000614397735 352089592 /nfs/dbraw/zinc/08/95/92/352089592.db2.gz ZEYQNIKHNMOSMY-UHFFFAOYSA-N 0 1 287.407 2.605 20 30 CFEDMN CCN1C[C@H](C)[N@H+](Cc2ccc(C#N)cc2C)C[C@H]1C ZINC000614403438 352090031 /nfs/dbraw/zinc/09/00/31/352090031.db2.gz YJPTWRINYDDEKO-CABCVRRESA-N 0 1 271.408 2.781 20 30 CFEDMN Cc1cc(C)c(NC(=O)c2ccc(C#N)c(O)c2)cc1O ZINC000615434934 352192502 /nfs/dbraw/zinc/19/25/02/352192502.db2.gz RITJHYAJJOMHOO-UHFFFAOYSA-N 0 1 282.299 2.839 20 30 CFEDMN C=CC[C@@H]1CCCC[C@@H]1NC(=O)c1ccc2[nH]nnc2c1 ZINC000617038524 352474746 /nfs/dbraw/zinc/47/47/46/352474746.db2.gz YLQSWODNTBHUJC-YPMHNXCESA-N 0 1 284.363 2.823 20 30 CFEDMN C=CC[C@@H]1CCCC[C@@H]1NC(=O)c1[nH]nc(C)c1C ZINC000617040357 352475504 /nfs/dbraw/zinc/47/55/04/352475504.db2.gz SSYDMHJPTMWSBZ-OLZOCXBDSA-N 0 1 261.369 2.891 20 30 CFEDMN C=CC[C@@H]1CCCC[C@@H]1NC(=O)Cc1cc(C)n[nH]1 ZINC000617040788 352476509 /nfs/dbraw/zinc/47/65/09/352476509.db2.gz YRMJDYXQSWBUHT-OCCSQVGLSA-N 0 1 261.369 2.512 20 30 CFEDMN C=CCN(C(=O)c1ccc(O)c(Cl)c1)[C@@H](C)COC ZINC000617576639 352594192 /nfs/dbraw/zinc/59/41/92/352594192.db2.gz YNCLVNKZIZJZSH-JTQLQIEISA-N 0 1 283.755 2.709 20 30 CFEDMN C=CC[C@@H]1CCCN(C(=O)C(C)(C)c2c[nH]cn2)C1 ZINC000617779615 352643420 /nfs/dbraw/zinc/64/34/20/352643420.db2.gz FDBSYUKDLIUJHL-GFCCVEGCSA-N 0 1 261.369 2.502 20 30 CFEDMN C=CC[C@@H]1CCCN(C(=O)c2csc(=NC3CC3)[nH]2)C1 ZINC000617781022 352643938 /nfs/dbraw/zinc/64/39/38/352643938.db2.gz CELXMNVGMXBTGW-LLVKDONJSA-N 0 1 291.420 2.568 20 30 CFEDMN CC[C@@H]1CCCCN1C(=O)CN[C@@H](C)c1ccc(C#N)cc1 ZINC000271621908 191245270 /nfs/dbraw/zinc/24/52/70/191245270.db2.gz CYQJHCPFXOWROI-WMLDXEAASA-N 0 1 299.418 3.000 20 30 CFEDMN N#C[C@@H]1CCC[C@@H](NCc2nnc(-c3ccc(F)cc3)[nH]2)C1 ZINC000618571871 352814891 /nfs/dbraw/zinc/81/48/91/352814891.db2.gz IXWYDOHLWQBVOP-BXUZGUMPSA-N 0 1 299.353 2.783 20 30 CFEDMN CC(C)[C@@H](C#N)N1CCN([C@@H]2CCc3ccccc32)CC1 ZINC000618752650 352876914 /nfs/dbraw/zinc/87/69/14/352876914.db2.gz OJWJRQNALMHHFF-QZTJIDSGSA-N 0 1 283.419 2.840 20 30 CFEDMN C=CCC(C)(C)C(=O)NCCN1CCc2ccccc2C1 ZINC000292204667 198202594 /nfs/dbraw/zinc/20/25/94/198202594.db2.gz IUUGZSDAYAWSOH-UHFFFAOYSA-N 0 1 286.419 2.763 20 30 CFEDMN C[C@@H](N[C@H]1CCc2cc(C#N)ccc21)c1cnccn1 ZINC000618804890 352884042 /nfs/dbraw/zinc/88/40/42/352884042.db2.gz MXJTUNPWCIGHPF-ABAIWWIYSA-N 0 1 264.332 2.686 20 30 CFEDMN N#Cc1ccc(F)c(CN2CCOC[C@@H](C3CCC3)C2)c1 ZINC000292237902 198212845 /nfs/dbraw/zinc/21/28/45/198212845.db2.gz WKYWNPKQLWKTHV-INIZCTEOSA-N 0 1 288.366 2.946 20 30 CFEDMN C[C@H](NCC(=O)N1[C@H](C)CCC[C@H]1C)c1ccc(C#N)cc1 ZINC000271657529 191262628 /nfs/dbraw/zinc/26/26/28/191262628.db2.gz KMBPMLANQOLTEK-KFWWJZLASA-N 0 1 299.418 2.998 20 30 CFEDMN C=C[C@@H](Nc1cccc2c1CN(CCC)C2)C(=O)OC ZINC000619734453 353061505 /nfs/dbraw/zinc/06/15/05/353061505.db2.gz JPQYWQLNSDMDEC-CQSZACIVSA-N 0 1 274.364 2.552 20 30 CFEDMN C[C@@H](NCc1ccc(C#N)c(Cl)c1)c1cnn(C)c1 ZINC000619754783 353063431 /nfs/dbraw/zinc/06/34/31/353063431.db2.gz KMVAVLYHRQMODJ-SNVBAGLBSA-N 0 1 274.755 2.796 20 30 CFEDMN C[C@H](NCC(=O)Nc1sccc1C#N)c1ccsc1 ZINC000619782508 353066493 /nfs/dbraw/zinc/06/64/93/353066493.db2.gz AOGAEVXQBTUZII-VIFPVBQESA-N 0 1 291.401 2.971 20 30 CFEDMN C[C@H](NCC(=O)N1[C@@H](C)CCC[C@@H]1C)c1ccc(C#N)cc1 ZINC000271657530 191263291 /nfs/dbraw/zinc/26/32/91/191263291.db2.gz KMBPMLANQOLTEK-KKUMJFAQSA-N 0 1 299.418 2.998 20 30 CFEDMN CC1(C)CC[C@@H](CO)N(CC#Cc2ccc(F)cc2)C1 ZINC000621380639 353346709 /nfs/dbraw/zinc/34/67/09/353346709.db2.gz ALQBIEOGUPDXPL-INIZCTEOSA-N 0 1 275.367 2.660 20 30 CFEDMN CC[C@@H](COCC(F)(F)F)NCc1ccc(C#N)o1 ZINC000295179983 199390904 /nfs/dbraw/zinc/39/09/04/199390904.db2.gz VQFAWQDKRNTIJH-VIFPVBQESA-N 0 1 276.258 2.598 20 30 CFEDMN N#Cc1cc(CSc2nc(C3CC3)n[nH]2)ccc1F ZINC000158432013 188376038 /nfs/dbraw/zinc/37/60/38/188376038.db2.gz KQHOUTWNIAPWJD-UHFFFAOYSA-N 0 1 274.324 2.985 20 30 CFEDMN N#Cc1cc(CSc2n[nH]c(C3CC3)n2)ccc1F ZINC000158432013 188376040 /nfs/dbraw/zinc/37/60/40/188376040.db2.gz KQHOUTWNIAPWJD-UHFFFAOYSA-N 0 1 274.324 2.985 20 30 CFEDMN C=CCCCN(C)C(=O)[C@@H]1C[C@@H](C)Cc2c[nH]nc21 ZINC000623195368 353592598 /nfs/dbraw/zinc/59/25/98/353592598.db2.gz HTXUJWHQJJDKKR-WCQYABFASA-N 0 1 261.369 2.500 20 30 CFEDMN C=C(C)COCCN[C@H]1CCCc2scnc21 ZINC000623920238 353759046 /nfs/dbraw/zinc/75/90/46/353759046.db2.gz FUQZVOKAJIGTOY-NSHDSACASA-N 0 1 252.383 2.703 20 30 CFEDMN C=CC[C@H]1CC[N@H+](CC(=O)N([C@H](C)C2CC2)C2CC2)C1 ZINC000625699921 354087768 /nfs/dbraw/zinc/08/77/68/354087768.db2.gz DZYLJVCHHMCIAZ-KGLIPLIRSA-N 0 1 276.424 2.674 20 30 CFEDMN C=CC[C@H]1CC[N@H+](CC(=O)Nc2ccc(OC)cc2)C1 ZINC000625699678 354087845 /nfs/dbraw/zinc/08/78/45/354087845.db2.gz CJWNBRIDUAPFQJ-ZDUSSCGKSA-N 0 1 274.364 2.532 20 30 CFEDMN C=CC[C@H]1CCN(CC(=O)Nc2ccc(OC)cc2)C1 ZINC000625699678 354087851 /nfs/dbraw/zinc/08/78/51/354087851.db2.gz CJWNBRIDUAPFQJ-ZDUSSCGKSA-N 0 1 274.364 2.532 20 30 CFEDMN C=CC[C@@H]1CC[N@H+](CC(=O)N(CC(C)C)C2CC2)C1 ZINC000625699656 354088208 /nfs/dbraw/zinc/08/82/08/354088208.db2.gz BZELEGLZWXGESE-CQSZACIVSA-N 0 1 264.413 2.531 20 30 CFEDMN C=C(C)CN(CC)C(=O)CN1C[C@@H](C)C(F)(F)[C@@H](C)C1 ZINC000625646894 354077898 /nfs/dbraw/zinc/07/78/98/354077898.db2.gz LELYTOUFGLRDAW-BETUJISGSA-N 0 1 288.382 2.634 20 30 CFEDMN FCCCN1CCN(CC#Cc2ccccc2Cl)CC1 ZINC000626070033 354187026 /nfs/dbraw/zinc/18/70/26/354187026.db2.gz WKNNJWXHGLWYCF-UHFFFAOYSA-N 0 1 294.801 2.669 20 30 CFEDMN C=CC(C)(C)CCNC(=O)c1[nH]nc2c1CCCC2 ZINC000628317598 354542546 /nfs/dbraw/zinc/54/25/46/354542546.db2.gz QSMYIJLOGZFEOO-UHFFFAOYSA-N 0 1 261.369 2.621 20 30 CFEDMN C=CCCn1cc(CN2CC[C@@H](c3ccc(O)cc3)C2)nn1 ZINC000628481684 354601505 /nfs/dbraw/zinc/60/15/05/354601505.db2.gz OKFYCOYYGQNFJY-OAHLLOKOSA-N 0 1 298.390 2.549 20 30 CFEDMN C=CCNCc1cc(OC)c(Br)cc1F ZINC000631032228 355256020 /nfs/dbraw/zinc/25/60/20/355256020.db2.gz WXDQEHSVUBBDGV-UHFFFAOYSA-N 0 1 274.133 2.872 20 30 CFEDMN CCc1nc([C@@H](C)N[C@H](C)c2cccc(C#N)c2)n[nH]1 ZINC000271861014 191373460 /nfs/dbraw/zinc/37/34/60/191373460.db2.gz KLNSDHMPHLEEKD-GHMZBOCLSA-N 0 1 269.352 2.651 20 30 CFEDMN N#Cc1cc(F)c(N2CC[C@@H](N3CCCCC3)C2)c(F)c1 ZINC000113427428 283096954 /nfs/dbraw/zinc/09/69/54/283096954.db2.gz IOYFUEUJJLFZGM-CYBMUJFWSA-N 0 1 291.345 2.901 20 30 CFEDMN C=C1CC(C)(C(=O)NCCN(CC)CCC(F)(F)F)C1 ZINC000632757102 355738523 /nfs/dbraw/zinc/73/85/23/355738523.db2.gz QSQVTNQMYTVQEQ-UHFFFAOYSA-N 0 1 292.345 2.733 20 30 CFEDMN N#Cc1ccc(C(=O)Nc2nc3ccc(F)cc3[nH]2)s1 ZINC000488953934 283134839 /nfs/dbraw/zinc/13/48/39/283134839.db2.gz WVLHJZNYZCAHJT-UHFFFAOYSA-N 0 1 286.291 2.887 20 30 CFEDMN Cc1csc(C(C#N)C(=O)c2cnn(CC3CC3)c2)n1 ZINC000633894238 356029008 /nfs/dbraw/zinc/02/90/08/356029008.db2.gz FXSIFAVDYBUHOA-LBPRGKRZSA-N 0 1 286.360 2.548 20 30 CFEDMN N#Cc1ccc(CN2CCC[C@@H]2CO)c(C(F)(F)F)c1 ZINC000356056336 283140318 /nfs/dbraw/zinc/14/03/18/283140318.db2.gz MKEIPBAFMXLMBV-GFCCVEGCSA-N 0 1 284.281 2.534 20 30 CFEDMN N#Cc1cccc([N+](=O)[O-])c1CN1C[C@@H]2CCC[C@H]2C1 ZINC000459340792 283212504 /nfs/dbraw/zinc/21/25/04/283212504.db2.gz JBQMTQQLBXIPSC-STQMWFEESA-N 0 1 271.320 2.698 20 30 CFEDMN N#Cc1ccccc1N1CCCN(Cc2ccco2)CC1 ZINC000091792496 283215618 /nfs/dbraw/zinc/21/56/18/283215618.db2.gz IXVVXONWCJDHLY-UHFFFAOYSA-N 0 1 281.359 2.864 20 30 CFEDMN N#Cc1cnc(CN2CCC[C@@H]2C2CCCCC2)nc1 ZINC000332007381 283230200 /nfs/dbraw/zinc/23/02/00/283230200.db2.gz WEEAAJFGSLPYTR-OAHLLOKOSA-N 0 1 270.380 2.893 20 30 CFEDMN C#CCO[C@H](C)C(=O)Nc1ccc2nc(C3CCC3)[nH]c2c1 ZINC000294593835 199099537 /nfs/dbraw/zinc/09/95/37/199099537.db2.gz PPFSJVVXDBDZQH-LLVKDONJSA-N 0 1 297.358 2.807 20 30 CFEDMN COCCN(Cc1ccc(C#N)cc1)Cc1ccncc1C ZINC000294662825 199126429 /nfs/dbraw/zinc/12/64/29/199126429.db2.gz CEXVGSCITQJZJR-UHFFFAOYSA-N 0 1 295.386 2.910 20 30 CFEDMN C=C(C)[C@H](CO)N1CCC(CC(F)(F)F)CC1 ZINC000671252775 540608093 /nfs/dbraw/zinc/60/80/93/540608093.db2.gz ZYJZYZBLZARBHL-NSHDSACASA-N 0 1 251.292 2.588 20 30 CFEDMN C=C(C)COCCNCc1ncccc1C(F)(F)F ZINC000153011855 540639048 /nfs/dbraw/zinc/63/90/48/540639048.db2.gz XRUPXULZKKIKRF-UHFFFAOYSA-N 0 1 274.286 2.783 20 30 CFEDMN C=C(C)CN(CC)C(=O)CN[C@@H](C)c1ccsc1 ZINC000669938737 540622426 /nfs/dbraw/zinc/62/24/26/540622426.db2.gz WOYRJVVBVGGRGS-LBPRGKRZSA-N 0 1 266.410 2.823 20 30 CFEDMN CCCN(Cc1ccc(C#N)cc1)Cc1cccnc1N ZINC000297736760 200272077 /nfs/dbraw/zinc/27/20/77/200272077.db2.gz CVTBREVPARROAT-UHFFFAOYSA-N 0 1 280.375 2.948 20 30 CFEDMN Fc1ccc(C#CCN2CCC(c3ccncn3)CC2)cc1 ZINC000298081224 200329748 /nfs/dbraw/zinc/32/97/48/200329748.db2.gz HPMZCAARQUJVRS-UHFFFAOYSA-N 0 1 295.361 2.847 20 30 CFEDMN C#C[C@H](C)NCc1c(C)nc2scc(C3CC3)n12 ZINC000298136770 200342853 /nfs/dbraw/zinc/34/28/53/200342853.db2.gz QLUHAWKVKAXBSC-VIFPVBQESA-N 0 1 259.378 2.693 20 30 CFEDMN Cc1cc(N2CCN(Cc3ccccc3)CC2)cc(C#N)n1 ZINC000308276189 540932559 /nfs/dbraw/zinc/93/25/59/540932559.db2.gz GULIPOSXEOUUAH-UHFFFAOYSA-N 0 1 292.386 2.584 20 30 CFEDMN C=CCNC(=O)CN[C@@H](C)c1ccccc1C(F)(F)F ZINC000179948433 189228818 /nfs/dbraw/zinc/22/88/18/189228818.db2.gz KNENZRRDLACXRI-JTQLQIEISA-N 0 1 286.297 2.658 20 30 CFEDMN C#CCCCCC(=O)NC[C@@H](c1ccc(F)cc1)N(C)C ZINC000179791190 189220410 /nfs/dbraw/zinc/22/04/10/189220410.db2.gz YUOAJCLEYFIMQJ-INIZCTEOSA-N 0 1 290.382 2.738 20 30 CFEDMN C=CC[C@@H](C(=O)NCc1cc(C)[nH]n1)c1ccccc1 ZINC000681732182 541002671 /nfs/dbraw/zinc/00/26/71/541002671.db2.gz YHGFOACPCVTGKA-OAHLLOKOSA-N 0 1 269.348 2.694 20 30 CFEDMN C[C@H](c1ccc(C#N)cc1)N1CCCN(CC(F)F)CC1 ZINC000180546087 189261714 /nfs/dbraw/zinc/26/17/14/189261714.db2.gz LWGUJDNBUBXKGM-CYBMUJFWSA-N 0 1 293.361 2.892 20 30 CFEDMN CCOC(=O)Nc1ccc(NCc2cn[nH]c2C)cc1C#N ZINC000181508501 189298596 /nfs/dbraw/zinc/29/85/96/189298596.db2.gz NZSHLUJKMVZUKI-UHFFFAOYSA-N 0 1 299.334 2.770 20 30 CFEDMN C=CCNC(=O)CN[C@@H](c1ccc(F)c(F)c1)C(C)C ZINC000181606708 189302323 /nfs/dbraw/zinc/30/23/23/189302323.db2.gz HFPBXGXXRMFGPK-OAHLLOKOSA-N 0 1 282.334 2.554 20 30 CFEDMN C=CCNC(=O)CN[C@H](C)c1ccc(C(F)(F)F)cc1 ZINC000182427041 189323305 /nfs/dbraw/zinc/32/33/05/189323305.db2.gz SKHLFJPXBQBNMQ-SNVBAGLBSA-N 0 1 286.297 2.658 20 30 CFEDMN CN1CC[C@@H](Nc2ncccc2C#N)[C@@H]1c1ccc(F)cc1 ZINC000301853858 201234420 /nfs/dbraw/zinc/23/44/20/201234420.db2.gz QKFFPDWWJXTVFD-CVEARBPZSA-N 0 1 296.349 2.950 20 30 CFEDMN Cc1noc(C)c1CC(=O)Nc1nc(-c2ccco2)n[nH]1 ZINC000073973869 541221876 /nfs/dbraw/zinc/22/18/76/541221876.db2.gz KUNQMHUGVDPGMU-UHFFFAOYSA-N 0 1 287.279 2.500 20 30 CFEDMN C=CCN(CCc1ccccc1)Cc1cnc(C)n1C ZINC000667557518 541256019 /nfs/dbraw/zinc/25/60/19/541256019.db2.gz XYMROBQRXNWAJH-UHFFFAOYSA-N 0 1 269.392 2.959 20 30 CFEDMN C=CCCCN(C)Cc1c(C(F)(F)F)cnn1C ZINC000667656925 541280866 /nfs/dbraw/zinc/28/08/66/541280866.db2.gz WMEGGDZFMOAJPF-UHFFFAOYSA-N 0 1 261.291 2.837 20 30 CFEDMN C=CC[C@@H](CO)Nc1nccc2cc(OC)c(OC)cc21 ZINC000320595589 541304945 /nfs/dbraw/zinc/30/49/45/541304945.db2.gz ANIPDOIWOQIHLY-LBPRGKRZSA-N 0 1 288.347 2.601 20 30 CFEDMN COc1ccc(OC)c([C@H](C)NCc2cc(C#N)n(C)c2)c1 ZINC000189584751 189538848 /nfs/dbraw/zinc/53/88/48/189538848.db2.gz INPFHWSSKBXFSB-LBPRGKRZSA-N 0 1 299.374 2.765 20 30 CFEDMN C=CCCOCC(=O)Nc1cc(Cl)c(O)cc1F ZINC000672485334 541436318 /nfs/dbraw/zinc/43/63/18/541436318.db2.gz WAPLNTQIFCEVQX-UHFFFAOYSA-N 0 1 273.691 2.716 20 30 CFEDMN CC[C@@H](c1ccccc1OC)N(C)CC#CCOC ZINC000672577178 541442974 /nfs/dbraw/zinc/44/29/74/541442974.db2.gz AQTOPEDAOJIXGM-HNNXBMFYSA-N 0 1 261.365 2.728 20 30 CFEDMN C[C@@H](c1cccc(C#N)c1)N(C)Cc1cnc(N(C)C)nc1 ZINC000442896687 241018508 /nfs/dbraw/zinc/01/85/08/241018508.db2.gz HPHSLKGOMWRWIS-ZDUSSCGKSA-N 0 1 295.390 2.607 20 30 CFEDMN Cc1ncc(CNCc2ccc(C#N)c(C)c2)s1 ZINC000443959363 241098418 /nfs/dbraw/zinc/09/84/18/241098418.db2.gz BFXMRJLCQAEHDR-UHFFFAOYSA-N 0 1 257.362 2.921 20 30 CFEDMN CO[C@@H]1C[C@@H](N(C)Cc2ccccc2C#N)C12CCC2 ZINC000449627535 242075427 /nfs/dbraw/zinc/07/54/27/242075427.db2.gz ACKMVNPMVPRRGY-HZPDHXFCSA-N 0 1 270.376 2.948 20 30 CFEDMN C=CCN(Cc1ccc(Cl)s1)C(=O)[C@H](C)N(C)C ZINC000674266338 541553396 /nfs/dbraw/zinc/55/33/96/541553396.db2.gz PUBLICVONDFXLN-JTQLQIEISA-N 0 1 286.828 2.866 20 30 CFEDMN CC(C)(C)C[C@H]1CCN([C@@H](C(N)=O)c2ccc(C#N)cc2)C1 ZINC000452079928 243036779 /nfs/dbraw/zinc/03/67/79/243036779.db2.gz OELIHXJYZRQNPZ-GDBMZVCRSA-N 0 1 299.418 2.843 20 30 CFEDMN OCC[C@@H]1CCCN(CC#Cc2cccc(Cl)c2)C1 ZINC000676558424 541766768 /nfs/dbraw/zinc/76/67/68/541766768.db2.gz LYFQQMULEWMSSL-HNNXBMFYSA-N 0 1 277.795 2.786 20 30 CFEDMN C=CCCN(C)CC(=O)Nc1cccc(SC)c1 ZINC000276377617 193306228 /nfs/dbraw/zinc/30/62/28/193306228.db2.gz HQEIUXVZDRSSJB-UHFFFAOYSA-N 0 1 264.394 2.855 20 30 CFEDMN C=CCCN(C)Cc1nnc(-c2ccc(C#N)cc2)o1 ZINC000276436935 193331083 /nfs/dbraw/zinc/33/10/83/193331083.db2.gz OEHSQWWFNLDSBG-UHFFFAOYSA-N 0 1 268.320 2.616 20 30 CFEDMN C=CCCN(C)[C@H](C)C(=O)Nc1ccc(OC)cc1OC ZINC000276505146 193359426 /nfs/dbraw/zinc/35/94/26/193359426.db2.gz WUUCMUQNCBJEIE-GFCCVEGCSA-N 0 1 292.379 2.539 20 30 CFEDMN C=C[C@](C)(CC)C(=O)N[C@@H](C)C[N@H+]1CCC[C@@H](C)C1 ZINC000249003472 261234695 /nfs/dbraw/zinc/23/46/95/261234695.db2.gz ZEKHAFKYXCISLK-IJEWVQPXSA-N 0 1 266.429 2.825 20 30 CFEDMN C=C(C)[C@@H](CO)Sc1nc(-c2cc(F)cc(F)c2)n[nH]1 ZINC000677132533 541826087 /nfs/dbraw/zinc/82/60/87/541826087.db2.gz CUQSWKBGJFQKDG-LLVKDONJSA-N 0 1 297.330 2.779 20 30 CFEDMN CO[C@@H]1C[C@H](NCc2cccc(F)c2C#N)C12CCC2 ZINC000459744782 245300561 /nfs/dbraw/zinc/30/05/61/245300561.db2.gz DTEGEUFGBYZFGW-LSDHHAIUSA-N 0 1 274.339 2.745 20 30 CFEDMN N#Cc1cnc(CN2CCC[C@H]2C2CCCCC2)nc1 ZINC000332007378 204382772 /nfs/dbraw/zinc/38/27/72/204382772.db2.gz WEEAAJFGSLPYTR-HNNXBMFYSA-N 0 1 270.380 2.893 20 30 CFEDMN N#Cc1ccc(CSc2nc(C3CC3)n[nH]2)c(F)c1 ZINC000012992368 372008110 /nfs/dbraw/zinc/00/81/10/372008110.db2.gz JBMHHGHTZMFGKX-UHFFFAOYSA-N 0 1 274.324 2.985 20 30 CFEDMN N#Cc1ccc(CSc2n[nH]c(C3CC3)n2)c(F)c1 ZINC000012992368 372008113 /nfs/dbraw/zinc/00/81/13/372008113.db2.gz JBMHHGHTZMFGKX-UHFFFAOYSA-N 0 1 274.324 2.985 20 30 CFEDMN CN(CCc1ccncc1)Cc1ccccc1C#N ZINC000031945815 372423651 /nfs/dbraw/zinc/42/36/51/372423651.db2.gz MCGNYHKTWYMBGO-UHFFFAOYSA-N 0 1 251.333 2.628 20 30 CFEDMN N#C[C@H](C(=O)C1CCc2ccccc2CC1)c1ccncn1 ZINC000528987612 383685054 /nfs/dbraw/zinc/68/50/54/383685054.db2.gz PFGQPVWOYPAQJJ-INIZCTEOSA-N 0 1 291.354 2.848 20 30 CFEDMN CCN(Cc1ccncc1)Cc1cccc(C#N)c1 ZINC000042307073 372904790 /nfs/dbraw/zinc/90/47/90/372904790.db2.gz AEWGBERECHAFQC-UHFFFAOYSA-N 0 1 251.333 2.975 20 30 CFEDMN CCN(CC(=O)N1CCCCC1)[C@H](C)c1ccc(C#N)cc1 ZINC000042741468 372952665 /nfs/dbraw/zinc/95/26/65/372952665.db2.gz CLVATJQWHIWMQR-OAHLLOKOSA-N 0 1 299.418 2.954 20 30 CFEDMN CC[C@@H](C)c1nc([C@@H](C)NC(=O)C(C#N)(CC)CC)n[nH]1 ZINC000529158543 383687607 /nfs/dbraw/zinc/68/76/07/383687607.db2.gz AWBFLRCXCDZXPW-GHMZBOCLSA-N 0 1 291.399 2.825 20 30 CFEDMN CCCN1CCN(c2cccc(Cl)c2C#N)CC1 ZINC000048727826 373216151 /nfs/dbraw/zinc/21/61/51/373216151.db2.gz GQDXGHGPTJOUPH-UHFFFAOYSA-N 0 1 263.772 2.744 20 30 CFEDMN CC[C@@H]1CO[C@H](C)CN1CCCOc1cccc(C#N)c1 ZINC000048915002 373231210 /nfs/dbraw/zinc/23/12/10/373231210.db2.gz ZFPOQOLMOKZSTN-GDBMZVCRSA-N 0 1 288.391 2.826 20 30 CFEDMN CCC(C)(C)NC(=O)CN[C@H](C)c1ccc(C#N)cc1 ZINC000049281770 373284426 /nfs/dbraw/zinc/28/44/26/373284426.db2.gz CBRVJYKMOYYWRL-GFCCVEGCSA-N 0 1 273.380 2.514 20 30 CFEDMN C#CCN1CCC(C(=O)Nc2nc(C(C)C)cs2)CC1 ZINC000050026594 373341738 /nfs/dbraw/zinc/34/17/38/373341738.db2.gz XBTFOJSWWJGTTE-UHFFFAOYSA-N 0 1 291.420 2.550 20 30 CFEDMN CCn1cc(CN[C@H](C)c2ccc(C#N)cc2)cn1 ZINC000050539567 373378695 /nfs/dbraw/zinc/37/86/95/373378695.db2.gz VNHBWHXDZNYABQ-GFCCVEGCSA-N 0 1 254.337 2.625 20 30 CFEDMN Cc1ccc(CNCc2cnc3ccc(C#N)cn23)cc1F ZINC000123204171 220211257 /nfs/dbraw/zinc/21/12/57/220211257.db2.gz QIPGQJJEUATJPX-UHFFFAOYSA-N 0 1 294.333 2.943 20 30 CFEDMN CCCCNC(=O)CN(CC)[C@H](C)c1ccc(C#N)cc1 ZINC000060477598 373697361 /nfs/dbraw/zinc/69/73/61/373697361.db2.gz IUPBKUFJTKHCCP-CQSZACIVSA-N 0 1 287.407 2.857 20 30 CFEDMN C=CCNC(=O)[C@H](C)Nc1cccc2c1CN(CCC)C2 ZINC000066968287 373965069 /nfs/dbraw/zinc/96/50/69/373965069.db2.gz LQHZHSDJJCYXDO-ZDUSSCGKSA-N 0 1 287.407 2.515 20 30 CFEDMN CN(CCCCC#N)CC(=O)Nc1cc(F)cc(F)c1 ZINC000066836245 373958434 /nfs/dbraw/zinc/95/84/34/373958434.db2.gz NYEAZKKTOCFPND-UHFFFAOYSA-N 0 1 281.306 2.529 20 30 CFEDMN C=C(CC)C[N@H+](CCOCC)Cc1ccc(C(=O)[O-])o1 ZINC000574458205 335021590 /nfs/dbraw/zinc/02/15/90/335021590.db2.gz ASOQRBOWCUTWAW-UHFFFAOYSA-N 0 1 281.352 2.783 20 30 CFEDMN COc1cccc(CN(CCCC#N)C[C@H]2CCCO2)c1 ZINC000068254048 374023968 /nfs/dbraw/zinc/02/39/68/374023968.db2.gz NLXQBGDYFVZFRO-QGZVFWFLSA-N 0 1 288.391 2.980 20 30 CFEDMN CC(C)C1CCN(CC(=O)Nc2cccc(C#N)c2)CC1 ZINC000072717720 374280194 /nfs/dbraw/zinc/28/01/94/374280194.db2.gz LMTCMNYQSZWYJZ-UHFFFAOYSA-N 0 1 285.391 2.865 20 30 CFEDMN COCC#CCN(C)Cc1cccc(OC(F)(F)F)c1 ZINC000677820156 541910668 /nfs/dbraw/zinc/91/06/68/541910668.db2.gz IBHQKMGHUXDLIQ-UHFFFAOYSA-N 0 1 287.281 2.667 20 30 CFEDMN COCC#CCN1CC[C@H](C)[C@@H]1c1cccc(F)c1 ZINC000677820389 541910897 /nfs/dbraw/zinc/91/08/97/541910897.db2.gz LXDLFDDMEPAVAK-XJKSGUPXSA-N 0 1 261.340 2.858 20 30 CFEDMN CCN(CCNc1ccc(C#N)nc1)CCC(F)(F)F ZINC000491675046 246087733 /nfs/dbraw/zinc/08/77/33/246087733.db2.gz OYHHKNSSOYPXCW-UHFFFAOYSA-N 0 1 286.301 2.639 20 30 CFEDMN N#Cc1ccc(OCCNCc2ccc(Cl)o2)cc1 ZINC000072980114 374309972 /nfs/dbraw/zinc/30/99/72/374309972.db2.gz XOTWGEQKRASMDU-UHFFFAOYSA-N 0 1 276.723 2.973 20 30 CFEDMN C[C@@H](C(=O)N(C)C1(C#N)CCC(C)CC1)N1CCCCC1 ZINC000073598357 374354987 /nfs/dbraw/zinc/35/49/87/374354987.db2.gz JIFAOUTVPFSBMK-CKDBGZEDSA-N 0 1 291.439 2.792 20 30 CFEDMN Cn1cccc1C(=O)C(C#N)c1nc2ccccc2o1 ZINC000073977438 374399501 /nfs/dbraw/zinc/39/95/01/374399501.db2.gz BFGDODWUPQHBMF-JTQLQIEISA-N 0 1 265.272 2.656 20 30 CFEDMN CN(Cc1nnc(-c2ccc(C#N)cc2)o1)C1CCC1 ZINC000075840691 374505986 /nfs/dbraw/zinc/50/59/86/374505986.db2.gz LDFWXLQIKUJAED-UHFFFAOYSA-N 0 1 268.320 2.593 20 30 CFEDMN CN(Cc1cccc(C#N)c1F)[C@@H](CO)CC(C)(C)C ZINC000451778075 383704839 /nfs/dbraw/zinc/70/48/39/383704839.db2.gz CGVBHPQJWNXWSY-CQSZACIVSA-N 0 1 278.371 2.926 20 30 CFEDMN Cc1[nH]nc2cc(NC(=O)C3(C#N)CCCC3)ccc12 ZINC000091825005 375064278 /nfs/dbraw/zinc/06/42/78/375064278.db2.gz RWOMIOJSPBPIFK-UHFFFAOYSA-N 0 1 268.320 2.894 20 30 CFEDMN CN(CCC(=O)OC(C)(C)C)Cc1cc(C#N)cs1 ZINC000093686776 375294821 /nfs/dbraw/zinc/29/48/21/375294821.db2.gz KQDLLQMXMKAHQR-UHFFFAOYSA-N 0 1 280.393 2.783 20 30 CFEDMN C=C(C)CN(CC)Cc1cc(C(=O)OC)c(C)o1 ZINC000098081213 375601927 /nfs/dbraw/zinc/60/19/27/375601927.db2.gz OSMWYPMHIUSGCS-UHFFFAOYSA-N 0 1 251.326 2.773 20 30 CFEDMN C=C(C)CN1CCCN(C(=O)Oc2ccccc2)CC1 ZINC000103479843 375749182 /nfs/dbraw/zinc/74/91/82/375749182.db2.gz KCDNASCNWRTFPJ-UHFFFAOYSA-N 0 1 274.364 2.769 20 30 CFEDMN C[C@H](C(=O)NC1(C#N)CCCCC1)N1CCCC(C)(C)C1 ZINC000112701674 375948235 /nfs/dbraw/zinc/94/82/35/375948235.db2.gz GFRQMHUMTNGBGI-CQSZACIVSA-N 0 1 291.439 2.840 20 30 CFEDMN CCN(CC(=O)Nc1cc(Cl)ccc1C#N)CC1CC1 ZINC000112983100 375981902 /nfs/dbraw/zinc/98/19/02/375981902.db2.gz VVDHRRDPYVGGIN-UHFFFAOYSA-N 0 1 291.782 2.882 20 30 CFEDMN C[C@H](C(=O)N(C)CCC#N)[N@H+]1CCC[C@H](C(C)(C)C)CC1 ZINC000116309113 376177514 /nfs/dbraw/zinc/17/75/14/376177514.db2.gz BGFHTQMUEGAEAC-CABCVRRESA-N 0 1 293.455 2.895 20 30 CFEDMN CCCC(=O)N[C@H]1CCCN([C@@H](C)c2ccc(C#N)cc2)C1 ZINC000118396483 376293135 /nfs/dbraw/zinc/29/31/35/376293135.db2.gz OTBPYKAHZKCQPV-YOEHRIQHSA-N 0 1 299.418 3.000 20 30 CFEDMN N#Cc1nccnc1NC[C@H](c1ccco1)N1CCCCC1 ZINC000263753535 190076343 /nfs/dbraw/zinc/07/63/43/190076343.db2.gz FNOYCJHGSDGRNO-CQSZACIVSA-N 0 1 297.362 2.580 20 30 CFEDMN C=CCCC(=O)NC[C@H](c1cccc(F)c1)N(C)C ZINC000263975515 190086775 /nfs/dbraw/zinc/08/67/75/190086775.db2.gz IZNZLXGQZMQYQI-CQSZACIVSA-N 0 1 264.344 2.511 20 30 CFEDMN CN(Cc1cn2ccccc2c1C#N)[C@H]1CCSC1 ZINC000120017479 376529925 /nfs/dbraw/zinc/52/99/25/376529925.db2.gz NFEGFXWUHPUPHX-ZDUSSCGKSA-N 0 1 271.389 2.748 20 30 CFEDMN C=C1CCN(CCOc2ccccc2[N+](=O)[O-])CC1 ZINC000264452638 190110690 /nfs/dbraw/zinc/11/06/90/190110690.db2.gz IOKIJYXVKLESSI-UHFFFAOYSA-N 0 1 262.309 2.626 20 30 CFEDMN C[C@]1(c2ccccc2)CN(CCCCC#N)CCO1 ZINC000121791240 376904457 /nfs/dbraw/zinc/90/44/57/376904457.db2.gz VEJQRXQASLKQDR-MRXNPFEDSA-N 0 1 258.365 2.928 20 30 CFEDMN CCN(CC)[C@@H](C(=O)N(C)C[C@@H](C)C#N)c1ccccc1 ZINC000264257354 383716764 /nfs/dbraw/zinc/71/67/64/383716764.db2.gz SEGCULMVJPRXSN-GOEBONIOSA-N 0 1 287.407 2.688 20 30 CFEDMN C#CCN1CCC(C(=O)N(CCCC)[C@@H](C)CC)CC1 ZINC000122434830 376929011 /nfs/dbraw/zinc/92/90/11/376929011.db2.gz BMVBVDMHDNXMRN-HNNXBMFYSA-N 0 1 278.440 2.759 20 30 CFEDMN C=CCCS(=O)(=O)Nc1cc(OCC)ccc1OCC ZINC000123070101 376944789 /nfs/dbraw/zinc/94/47/89/376944789.db2.gz KIJVTXGTQUJENR-UHFFFAOYSA-N 0 1 299.392 2.802 20 30 CFEDMN CC(C)(C)OC(=O)N1CCN(CC(C)(C)CCC#N)CC1 ZINC000123721972 376970762 /nfs/dbraw/zinc/97/07/62/376970762.db2.gz OOQOLHAFSSUOCL-UHFFFAOYSA-N 0 1 295.427 2.869 20 30 CFEDMN C=CCC[C@H](O)CNC(C)(C)c1nc(C)cs1 ZINC000129282092 377406883 /nfs/dbraw/zinc/40/68/83/377406883.db2.gz UUYZKXFXEKCKAA-NSHDSACASA-N 0 1 254.399 2.603 20 30 CFEDMN C[C@H](CN1CCCCC1)Nc1ncc(C#N)cc1Cl ZINC000265098670 190157556 /nfs/dbraw/zinc/15/75/56/190157556.db2.gz DBQLSSXPMLQQPU-LLVKDONJSA-N 0 1 278.787 2.893 20 30 CFEDMN CN(C)Cc1cc(CNc2ccc(C#N)cn2)ccc1F ZINC000265187961 190164632 /nfs/dbraw/zinc/16/46/32/190164632.db2.gz GJYNGEBZYSXUTF-UHFFFAOYSA-N 0 1 284.338 2.766 20 30 CFEDMN C=C[C@@H](CC(=O)N1CCN(C(C)C)CC1)c1ccccc1 ZINC000130980071 377642244 /nfs/dbraw/zinc/64/22/44/377642244.db2.gz LCAQGGGTQZBKCX-INIZCTEOSA-N 0 1 286.419 2.899 20 30 CFEDMN CC(C)(C)OC(=O)N[C@@H]1CCN(CCC(C)(C)C#N)C1 ZINC000131540685 377724332 /nfs/dbraw/zinc/72/43/32/377724332.db2.gz HYIHKNRZMBZUSI-GFCCVEGCSA-N 0 1 281.400 2.525 20 30 CFEDMN C=CCCN(Cc1ccccc1)C[C@H](O)C(F)(F)F ZINC000679674439 542225523 /nfs/dbraw/zinc/22/55/23/542225523.db2.gz SIXSRDPUSGSRCA-ZDUSSCGKSA-N 0 1 273.298 2.988 20 30 CFEDMN CCN(CCC#N)C(=O)[C@H](c1ccccc1)N(CC)CC ZINC000133425060 377928632 /nfs/dbraw/zinc/92/86/32/377928632.db2.gz QBQTUXWOFPMQKM-INIZCTEOSA-N 0 1 287.407 2.832 20 30 CFEDMN CCCNc1ccc(C#N)cc1NC(=O)Cc1cc(C)[nH]n1 ZINC000134015343 377975074 /nfs/dbraw/zinc/97/50/74/377975074.db2.gz OWUCQTMRVNYAGY-UHFFFAOYSA-N 0 1 297.362 2.593 20 30 CFEDMN C=C1CCN(C[C@H]2CN(c3ccccc3)C(=O)O2)CC1 ZINC000265997251 190221956 /nfs/dbraw/zinc/22/19/56/190221956.db2.gz MAEVOBHDPDCWBM-HNNXBMFYSA-N 0 1 272.348 2.664 20 30 CFEDMN C=CCC[C@@H](O)CN[C@@H](CF)c1ccc(F)cc1 ZINC000640152754 383726080 /nfs/dbraw/zinc/72/60/80/383726080.db2.gz HLCHFRWSUJMMBX-KGLIPLIRSA-N 0 1 255.308 2.753 20 30 CFEDMN N#CCSc1nc(-c2ccc3c(c2)CCC3)n[nH]1 ZINC000151210941 378306829 /nfs/dbraw/zinc/30/68/29/378306829.db2.gz FEMWANGWRRRQPN-UHFFFAOYSA-N 0 1 256.334 2.576 20 30 CFEDMN CCN(CC(=O)Nc1ccc(C(C)(C)C#N)cc1)C1CC1 ZINC000151384705 378322611 /nfs/dbraw/zinc/32/26/11/378322611.db2.gz HBSUMNVDINSTJS-UHFFFAOYSA-N 0 1 285.391 2.911 20 30 CFEDMN Cc1cc(N=C([O-])CC[C@@H]2CCCC[N@H+]2C)cn(C)c1=O ZINC000329319820 378452807 /nfs/dbraw/zinc/45/28/07/378452807.db2.gz DSYZTNHQBMLUNK-AWEZNQCLSA-N 0 1 291.395 2.546 20 30 CFEDMN C[C@H](NC(=O)CCC(=O)NC1CCCC1)c1nnc[nH]1 ZINC000328790392 378425327 /nfs/dbraw/zinc/42/53/27/378425327.db2.gz QGVFOFVPHMWGND-VIFPVBQESA-N 0 1 279.344 2.502 20 30 CFEDMN C[C@H](C[C@@H]1CCCO1)NC(=O)c1ccc2cncn2c1 ZINC000328793594 378425918 /nfs/dbraw/zinc/42/59/18/378425918.db2.gz AZSQZBZRTVSNRE-RISCZKNCSA-N 0 1 273.336 2.597 20 30 CFEDMN O=C(N[C@@H](CO)CC1CCCC1)c1ccc2cncn2c1 ZINC000328799331 378427258 /nfs/dbraw/zinc/42/72/58/378427258.db2.gz HCPJVZDBUDJOIW-CQSZACIVSA-N 0 1 287.363 2.580 20 30 CFEDMN C[C@H](C(=O)N[C@H]1CCCc2cn[nH]c21)C1CCOCC1 ZINC000328868444 378433746 /nfs/dbraw/zinc/43/37/46/378433746.db2.gz OVQQEKMWKKXJSR-GWCFXTLKSA-N 0 1 277.368 2.806 20 30 CFEDMN Cn1cc(-c2ccccc2CNC(=O)[C@H]2CCCN2C)cn1 ZINC000328890305 378435957 /nfs/dbraw/zinc/43/59/57/378435957.db2.gz RLMMVFREHVDGCQ-MRXNPFEDSA-N 0 1 298.390 2.638 20 30 CFEDMN O=C(NC[C@@H]1CCCCS1)N[C@H]1CCCc2cn[nH]c21 ZINC000329720566 378485833 /nfs/dbraw/zinc/48/58/33/378485833.db2.gz BSBCLBRTXYVBNF-RYUDHWBXSA-N 0 1 294.424 2.576 20 30 CFEDMN CCC[C@@H]1CCCCN1C(=O)N[C@H]1CCc2nc[nH]c2C1 ZINC000329737291 378489360 /nfs/dbraw/zinc/48/93/60/378489360.db2.gz MAMLCFMQKCVRQN-QWHCGFSZSA-N 0 1 290.411 2.836 20 30 CFEDMN CN1CCCC(C)(C)[C@H]1CNC(=O)c1conc1C1CC1 ZINC000329733907 378489406 /nfs/dbraw/zinc/48/94/06/378489406.db2.gz RAYBNKRBSDPHFD-CYBMUJFWSA-N 0 1 291.395 2.977 20 30 CFEDMN CCC1(C)CCN(C(=O)N[C@@H]2CCc3nc[nH]c3C2)CC1 ZINC000329753156 378492875 /nfs/dbraw/zinc/49/28/75/378492875.db2.gz WOOSFOYYZBGVMM-GFCCVEGCSA-N 0 1 290.411 2.693 20 30 CFEDMN CN1CCC[C@@H]1C(=O)NCc1nc2ccccc2n1C1CC1 ZINC000329779200 378495094 /nfs/dbraw/zinc/49/50/94/378495094.db2.gz LSMPEGTVGHAJNV-OAHLLOKOSA-N 0 1 298.390 2.922 20 30 CFEDMN Cc1noc2ncc(NC(=O)CN3[C@@H](C)CC[C@@H]3C)cc12 ZINC000329826663 378501939 /nfs/dbraw/zinc/50/19/39/378501939.db2.gz CLEGIFLYHHQUBT-UWVGGRQHSA-N 0 1 288.351 2.992 20 30 CFEDMN CCC[C@@H]1CCCN(C([O-])=[NH+][C@H]2CCc3c[nH]nc3C2)C1 ZINC000329885536 378507826 /nfs/dbraw/zinc/50/78/26/378507826.db2.gz UUIZYCISPAGRPX-OCCSQVGLSA-N 0 1 290.411 2.693 20 30 CFEDMN CCCn1cc(C(=O)NC[C@@H]2CCCC[N@H+]2C2CC2)cn1 ZINC000329944701 378515752 /nfs/dbraw/zinc/51/57/52/378515752.db2.gz IOZJFYPZMCWAEY-HNNXBMFYSA-N 0 1 290.411 2.615 20 30 CFEDMN CCN(C([O-])=[NH+][C@H](C)Cn1cccn1)[C@H](C)C(C)C ZINC000330463264 378562273 /nfs/dbraw/zinc/56/22/73/378562273.db2.gz NNXGMRJOPCQSHU-CHWSQXEVSA-N 0 1 266.389 2.552 20 30 CFEDMN CC(C)(C)C1=CCN(C([O-])=[NH+]CCCn2cccn2)CC1 ZINC000330497640 378572131 /nfs/dbraw/zinc/57/21/31/378572131.db2.gz ZWOKVHSDFZWLLE-UHFFFAOYSA-N 0 1 290.411 2.865 20 30 CFEDMN C[C@@H]1CCSCCN1CC(=O)NC1(C#N)CCCCC1 ZINC000330263584 378530889 /nfs/dbraw/zinc/53/08/89/378530889.db2.gz WSMVYXVUNBRTGD-CYBMUJFWSA-N 0 1 295.452 2.997 20 30 CFEDMN CCC(=O)N[C@H]1CCCN([C@H](C)c2cccc(C#N)c2)C1 ZINC000331272797 378661731 /nfs/dbraw/zinc/66/17/31/378661731.db2.gz OFYADYBSGIZIKG-CJNGLKHVSA-N 0 1 285.391 2.610 20 30 CFEDMN CC#CCN1CCCC[C@@H]1CNC(=O)Nc1ccccc1 ZINC000159048676 378681670 /nfs/dbraw/zinc/68/16/70/378681670.db2.gz FNXREVOQKXCKMW-MRXNPFEDSA-N 0 1 285.391 2.686 20 30 CFEDMN CN(CC#Cc1ccc(F)cc1)CCC(=O)OC(C)(C)C ZINC000156889325 378647413 /nfs/dbraw/zinc/64/74/13/378647413.db2.gz VTSLICCCCRVCNW-UHFFFAOYSA-N 0 1 291.366 2.841 20 30 CFEDMN CN(Cc1cc(F)ccc1C#N)C[C@@H]1CCCOC1 ZINC000160247258 378759535 /nfs/dbraw/zinc/75/95/35/378759535.db2.gz WIYNSMODZYZFKA-LBPRGKRZSA-N 0 1 262.328 2.556 20 30 CFEDMN C=C(C)CNC(=O)NC[C@@H](c1ccco1)N1CCCCC1 ZINC000161142007 378826618 /nfs/dbraw/zinc/82/66/18/378826618.db2.gz CJFJKDNUWBJADH-AWEZNQCLSA-N 0 1 291.395 2.682 20 30 CFEDMN C[C@@H](CC#N)N(C)CC1CCN(C(=O)OC(C)(C)C)CC1 ZINC000161942925 378882599 /nfs/dbraw/zinc/88/25/99/378882599.db2.gz LDDLKXVTHCHKKT-ZDUSSCGKSA-N 0 1 295.427 2.867 20 30 CFEDMN C=C1CCN(CCC(=O)c2ccc3c(c2)OCCO3)CC1 ZINC000278514328 194020424 /nfs/dbraw/zinc/02/04/24/194020424.db2.gz NQMOTFIVMYKLLC-UHFFFAOYSA-N 0 1 287.359 2.683 20 30 CFEDMN N#Cc1ccc(F)cc1CN1CC[C@@H](C2CCOCC2)C1 ZINC000334207742 378926745 /nfs/dbraw/zinc/92/67/45/378926745.db2.gz DVMIUEXUINXJEF-OAHLLOKOSA-N 0 1 288.366 2.946 20 30 CFEDMN N#Cc1cccc(CN2CCC(n3ccnc3)CC2)c1F ZINC000334272852 379012409 /nfs/dbraw/zinc/01/24/09/379012409.db2.gz JJAHWPTXZUJDDZ-UHFFFAOYSA-N 0 1 284.338 2.731 20 30 CFEDMN N#CC(C(=O)c1csc([C@@H]2CCCO2)n1)c1ccccn1 ZINC000165463369 379040314 /nfs/dbraw/zinc/04/03/14/379040314.db2.gz YXTMCGWDOUXLBY-MFKMUULPSA-N 0 1 299.355 2.880 20 30 CFEDMN N#C[C@@H](C(=O)c1csc([C@@H]2CCCO2)n1)c1ccccn1 ZINC000165463369 379040316 /nfs/dbraw/zinc/04/03/16/379040316.db2.gz YXTMCGWDOUXLBY-MFKMUULPSA-N 0 1 299.355 2.880 20 30 CFEDMN C[C@@H]1C[N@@H+](Cc2ccc(CC#N)cc2)CC2(CCC2)O1 ZINC000335462410 379336968 /nfs/dbraw/zinc/33/69/68/379336968.db2.gz HQLLXBAYQBPDTO-CQSZACIVSA-N 0 1 270.376 2.896 20 30 CFEDMN C[C@@H]1CN(Cc2ccc(CC#N)cc2)CC2(CCC2)O1 ZINC000335462410 379336978 /nfs/dbraw/zinc/33/69/78/379336978.db2.gz HQLLXBAYQBPDTO-CQSZACIVSA-N 0 1 270.376 2.896 20 30 CFEDMN COC(=O)c1cccc2c1CCN([C@@H]1CC[C@H](C#N)C1)C2 ZINC000334513999 379430065 /nfs/dbraw/zinc/43/00/65/379430065.db2.gz OOOYHDAEXPSMOT-GXTWGEPZSA-N 0 1 284.359 2.524 20 30 CFEDMN C#CCN(CC)Cc1cc(=O)oc2cc(C)ccc12 ZINC000266941303 190292691 /nfs/dbraw/zinc/29/26/91/190292691.db2.gz RFKAKNYGIXDRKR-UHFFFAOYSA-N 0 1 255.317 2.557 20 30 CFEDMN CC(C)[C@@H]1N(Cc2ccc(C#N)o2)CC12CCOCC2 ZINC000335641194 379647603 /nfs/dbraw/zinc/64/76/03/379647603.db2.gz WCESRLHGEKXRQM-HNNXBMFYSA-N 0 1 274.364 2.788 20 30 CFEDMN CN(C(=O)CNCc1ccc(C#N)s1)C1CCCCC1 ZINC000267203678 190311476 /nfs/dbraw/zinc/31/14/76/190311476.db2.gz PBKKNRNJZAPZOD-UHFFFAOYSA-N 0 1 291.420 2.500 20 30 CFEDMN CC1(C)CN(Cc2ccc(C#N)c(F)c2)[C@@H]2COC[C@@H]21 ZINC000334635528 379672411 /nfs/dbraw/zinc/67/24/11/379672411.db2.gz RKMPYJHDNGIIBC-DZGCQCFKSA-N 0 1 274.339 2.554 20 30 CFEDMN CCC1(O)CCN(CC#Cc2ccc(Cl)cc2)CC1 ZINC000267349739 190322864 /nfs/dbraw/zinc/32/28/64/190322864.db2.gz FITCPHWKJWZSDF-UHFFFAOYSA-N 0 1 277.795 2.928 20 30 CFEDMN C#CCN1CCC(C(=O)N2C[C@H](C)[C@@H]2c2ccccc2)CC1 ZINC000173972990 379808900 /nfs/dbraw/zinc/80/89/00/379808900.db2.gz DXHQPILMFZVUMW-MAUKXSAKSA-N 0 1 296.414 2.551 20 30 CFEDMN N#Cc1ccc(CNCc2ccc(-n3cccn3)cc2)o1 ZINC000174271931 379856167 /nfs/dbraw/zinc/85/61/67/379856167.db2.gz OJJGDHBRKSLFQD-UHFFFAOYSA-N 0 1 278.315 2.627 20 30 CFEDMN Cn1cc(CN[C@@H]2CCOc3c(F)cccc32)cc1C#N ZINC000335796441 379903732 /nfs/dbraw/zinc/90/37/32/379903732.db2.gz GOVTWAJUKSQSDG-OAHLLOKOSA-N 0 1 285.322 2.649 20 30 CFEDMN N#Cc1cccc(CN2CCOC[C@@H](C3CCC3)C2)c1F ZINC000335890247 380058143 /nfs/dbraw/zinc/05/81/43/380058143.db2.gz RQWVVSWTGCXTNW-INIZCTEOSA-N 0 1 288.366 2.946 20 30 CFEDMN N#Cc1cccc(CN2CCc3ccccc3[C@H]2CO)c1 ZINC000268081092 190375213 /nfs/dbraw/zinc/37/52/13/190375213.db2.gz GLVVOQSGLROSFC-GOSISDBHSA-N 0 1 278.355 2.650 20 30 CFEDMN CO[C@H]1CC[N@@H+](Cc2cccc(C#N)c2F)[C@@H](C)C1 ZINC000335918774 380106552 /nfs/dbraw/zinc/10/65/52/380106552.db2.gz VSDVNIYVKJWWIT-FZMZJTMJSA-N 0 1 262.328 2.697 20 30 CFEDMN CO[C@H]1CCN(Cc2cccc(C#N)c2F)[C@@H](C)C1 ZINC000335918774 380106559 /nfs/dbraw/zinc/10/65/59/380106559.db2.gz VSDVNIYVKJWWIT-FZMZJTMJSA-N 0 1 262.328 2.697 20 30 CFEDMN C=CCCCC(=O)NCc1nc2ccc(F)cc2[nH]1 ZINC000176132859 380183798 /nfs/dbraw/zinc/18/37/98/380183798.db2.gz MGAXSTGHYOIEGK-UHFFFAOYSA-N 0 1 261.300 2.675 20 30 CFEDMN N#Cc1ccc(S(=O)(=O)Nc2ccccc2Cl)o1 ZINC000335988830 380202498 /nfs/dbraw/zinc/20/24/98/380202498.db2.gz FACYICMVHHMACP-UHFFFAOYSA-N 0 1 282.708 2.605 20 30 CFEDMN C[C@H]1Cc2ccccc2N1C(=O)CN1CCC(CC#N)CC1 ZINC000336356161 380328588 /nfs/dbraw/zinc/32/85/88/380328588.db2.gz PKPBQCOFBTYJLD-AWEZNQCLSA-N 0 1 297.402 2.590 20 30 CFEDMN N#CC1(C[N@H+]2CC[C@H](n3ncc4ccccc43)C2)CCC1 ZINC000336269777 380303607 /nfs/dbraw/zinc/30/36/07/380303607.db2.gz KNIWJUOVICMKLM-HNNXBMFYSA-N 0 1 280.375 2.977 20 30 CFEDMN N#CC1(CN2CC[C@H](n3ncc4ccccc43)C2)CCC1 ZINC000336269777 380303613 /nfs/dbraw/zinc/30/36/13/380303613.db2.gz KNIWJUOVICMKLM-HNNXBMFYSA-N 0 1 280.375 2.977 20 30 CFEDMN C[C@H]1CN(CC#Cc2ccc(Cl)cc2)CCCO1 ZINC000177108547 380305679 /nfs/dbraw/zinc/30/56/79/380305679.db2.gz DYICUMIGOKJSQI-ZDUSSCGKSA-N 0 1 263.768 2.802 20 30 CFEDMN CN(C)[C@@H](CNCCC#N)c1cccc(C(F)(F)F)c1 ZINC000571993289 383745439 /nfs/dbraw/zinc/74/54/39/383745439.db2.gz CQVPBKADIPLRSG-ZDUSSCGKSA-N 0 1 285.313 2.811 20 30 CFEDMN CC1=C[C@@H](C)CN(Cc2cnc3ccc(C#N)cn23)C1 ZINC000336547733 380450249 /nfs/dbraw/zinc/45/02/49/380450249.db2.gz JJNDHBVPKQBCQF-GFCCVEGCSA-N 0 1 266.348 2.604 20 30 CFEDMN N#Cc1ccc(CN2CC[C@H]3OCCC[C@@H]3C2)c(F)c1 ZINC000177993883 380399255 /nfs/dbraw/zinc/39/92/55/380399255.db2.gz RXPFUUVQJQEKEH-GDBMZVCRSA-N 0 1 274.339 2.698 20 30 CFEDMN CC1(C)CN(Cc2cnc3ccc(C#N)cn23)[C@H]1C1CC1 ZINC000336561149 380469131 /nfs/dbraw/zinc/46/91/31/380469131.db2.gz BDNBEAXDFIJESO-INIZCTEOSA-N 0 1 280.375 2.826 20 30 CFEDMN C=CCCCNC(=O)c1sccc1CN(C)C ZINC000279129223 194296445 /nfs/dbraw/zinc/29/64/45/194296445.db2.gz AYXJKHFDNWZCGF-UHFFFAOYSA-N 0 1 252.383 2.506 20 30 CFEDMN N#Cc1ccc(CN2CCC[C@@]23CCOC3)c(Cl)c1 ZINC000336815654 380675827 /nfs/dbraw/zinc/67/58/27/380675827.db2.gz ILYOMMQXTYLPMR-HNNXBMFYSA-N 0 1 276.767 2.967 20 30 CFEDMN C=CCC(C)(C)CNC(=O)N1CCN(C)[C@@H](C(C)C)C1 ZINC000432579694 383748832 /nfs/dbraw/zinc/74/88/32/383748832.db2.gz LIKWFTNHNWVZPW-CQSZACIVSA-N 0 1 281.444 2.570 20 30 CFEDMN C=CCC(C)(C)CNC(=O)N1C[C@H](C)N(CC)C[C@H]1C ZINC000432577242 383749396 /nfs/dbraw/zinc/74/93/96/383749396.db2.gz YHVVHVNRJPBBQM-UONOGXRCSA-N 0 1 281.444 2.713 20 30 CFEDMN C=CCN(CC=C)C(=O)CN[C@H](C)c1ccc(C)c(F)c1 ZINC000181361888 380781268 /nfs/dbraw/zinc/78/12/68/380781268.db2.gz FZYPYJPDMXEFIO-CQSZACIVSA-N 0 1 290.382 2.985 20 30 CFEDMN CCN1C[C@H](C)N(Cc2ccc(C#N)s2)C[C@@H]1C ZINC000353820073 380877129 /nfs/dbraw/zinc/87/71/29/380877129.db2.gz QXGDDCRDSNURFR-RYUDHWBXSA-N 0 1 263.410 2.534 20 30 CFEDMN CC[C@@H](C)N(CCO)Cc1ccc(Cl)cc1C#N ZINC000287625607 380889001 /nfs/dbraw/zinc/88/90/01/380889001.db2.gz ZZPSXWVWMGGWFO-LLVKDONJSA-N 0 1 266.772 2.804 20 30 CFEDMN COc1ccccc1[C@H](CNc1cc(C#N)ccn1)N(C)C ZINC000341343729 380950562 /nfs/dbraw/zinc/95/05/62/380950562.db2.gz IIVDJVQPDLGNAJ-HNNXBMFYSA-N 0 1 296.374 2.677 20 30 CFEDMN Cc1cc(C#N)nc(Sc2nc(-c3ccccc3)n[nH]2)n1 ZINC000341364157 380968072 /nfs/dbraw/zinc/96/80/72/380968072.db2.gz PDBKGDZOSOJWMU-UHFFFAOYSA-N 0 1 294.343 2.593 20 30 CFEDMN CC1(C)C[C@@H](O)CCN(Cc2cc(C#N)ccc2F)C1 ZINC000295555954 380938688 /nfs/dbraw/zinc/93/86/88/380938688.db2.gz SQJPQEMBCQMWLW-AWEZNQCLSA-N 0 1 276.355 2.680 20 30 CFEDMN CCCN(CCC1(C#N)CCCCC1)CC(=O)N(C)C ZINC000411188629 381015476 /nfs/dbraw/zinc/01/54/76/381015476.db2.gz RNRJBBHAAMCHCK-UHFFFAOYSA-N 0 1 279.428 2.651 20 30 CFEDMN C[C@H]1C[C@@H](Nc2nc(Cl)c(C#N)s2)CN1C1CC1 ZINC000288056855 381001767 /nfs/dbraw/zinc/00/17/67/381001767.db2.gz YAXSCEGJUAQNII-JGVFFNPUSA-N 0 1 282.800 2.705 20 30 CFEDMN C#C[C@@H](NCc1cccc2c1OCCCO2)C(C)C ZINC000289628155 381074529 /nfs/dbraw/zinc/07/45/29/381074529.db2.gz WSBXIZOGVQPROV-CQSZACIVSA-N 0 1 259.349 2.595 20 30 CFEDMN C=C(C)Cn1c([C@@H](C)CC)n[n-]c1=[NH+]c1c(C)n[nH]c1C ZINC000358826869 381107935 /nfs/dbraw/zinc/10/79/35/381107935.db2.gz JDZFOXAAFKDXAT-JTQLQIEISA-N 0 1 288.399 2.873 20 30 CFEDMN COc1cc(C#N)ccc1OCCN(C)Cc1ccoc1 ZINC000354243331 381158397 /nfs/dbraw/zinc/15/83/97/381158397.db2.gz ZLLNLDCIGZASIK-UHFFFAOYSA-N 0 1 286.331 2.671 20 30 CFEDMN C=C[C@@H](CO)NCc1ccc(Br)cc1Cl ZINC000289997870 381253834 /nfs/dbraw/zinc/25/38/34/381253834.db2.gz XZELWRISWWXCKQ-JTQLQIEISA-N 0 1 290.588 2.739 20 30 CFEDMN N#Cc1ccc(F)c(CN2CCCO[C@@H]3CCC[C@@H]32)c1 ZINC000369466130 381267169 /nfs/dbraw/zinc/26/71/69/381267169.db2.gz JEMOEYLLTHYUMW-JKSUJKDBSA-N 0 1 274.339 2.841 20 30 CFEDMN C#C[C@@H](NCc1cnc(C(C)(C)C)nc1)C(C)(C)C ZINC000290162943 381325284 /nfs/dbraw/zinc/32/52/84/381325284.db2.gz MBRDBIWTVSVOID-CYBMUJFWSA-N 0 1 259.397 2.912 20 30 CFEDMN CC[C@H](CC#N)NC(=O)[C@H]1CCCCN1Cc1ccccc1 ZINC000183859634 381329865 /nfs/dbraw/zinc/32/98/65/381329865.db2.gz VMMAIOPTUZCCOT-IAGOWNOFSA-N 0 1 299.418 2.850 20 30 CFEDMN CC[C@H](c1ccncc1)N(C)Cc1cc(C#N)n(C)c1 ZINC000290385664 381408055 /nfs/dbraw/zinc/40/80/55/381408055.db2.gz IKTZRBDUCYZNCG-MRXNPFEDSA-N 0 1 268.364 2.875 20 30 CFEDMN C[C@H](NCCOc1cccc(C#N)c1)c1nccs1 ZINC000184387242 381408389 /nfs/dbraw/zinc/40/83/89/381408389.db2.gz RTGQXFLAJGEBHV-NSHDSACASA-N 0 1 273.361 2.744 20 30 CFEDMN CN(CC[C@@H]1CCCO1)Cc1cn2ccccc2c1C#N ZINC000342580465 381410851 /nfs/dbraw/zinc/41/08/51/381410851.db2.gz DXGOTICFZMTXDV-HNNXBMFYSA-N 0 1 283.375 2.812 20 30 CFEDMN CCOC1CC(N(C)Cc2ccc(C#N)s2)C1 ZINC000290372114 381401694 /nfs/dbraw/zinc/40/16/94/381401694.db2.gz HMSYGSIQNFLHJS-UHFFFAOYSA-N 0 1 250.367 2.619 20 30 CFEDMN C=CCCN(C)CC(=O)N[C@H](C)c1ccc(F)cc1 ZINC000342730320 381505554 /nfs/dbraw/zinc/50/55/54/381505554.db2.gz JOTODPZOCZJJAP-GFCCVEGCSA-N 0 1 264.344 2.511 20 30 CFEDMN C=CCCN(C)[C@H](C)C(=O)N1c2ccccc2C[C@H]1C ZINC000342734058 381508099 /nfs/dbraw/zinc/50/80/99/381508099.db2.gz GNXDRARHXCDFJB-ZIAGYGMSSA-N 0 1 272.392 2.861 20 30 CFEDMN C=CCCN(C)CC(=O)N1c2ccccc2CC[C@H]1C ZINC000342740749 381511159 /nfs/dbraw/zinc/51/11/59/381511159.db2.gz WTRUTSPUCZXPOB-CQSZACIVSA-N 0 1 272.392 2.862 20 30 CFEDMN C=CCCN(C)[C@H](C)C(=O)Nc1ccc(F)cc1F ZINC000342715352 381495830 /nfs/dbraw/zinc/49/58/30/381495830.db2.gz AQAITQGOQSYQLR-SNVBAGLBSA-N 0 1 268.307 2.800 20 30 CFEDMN CC1(C)CN(Cc2cn3ccccc3c2C#N)CCCO1 ZINC000370716148 381497247 /nfs/dbraw/zinc/49/72/47/381497247.db2.gz JZHHBHPRXCLJEN-UHFFFAOYSA-N 0 1 283.375 2.812 20 30 CFEDMN C=C(C)C[C@@H](C)C(=O)NCCN1CCc2ccccc2C1 ZINC000185091142 381533853 /nfs/dbraw/zinc/53/38/53/381533853.db2.gz HCIYVAJAMLHCHL-OAHLLOKOSA-N 0 1 286.419 2.763 20 30 CFEDMN N#Cc1ccc(CN2CCCC[C@H]2Cn2cccn2)s1 ZINC000371372281 381604708 /nfs/dbraw/zinc/60/47/08/381604708.db2.gz GCSHBMSLSFAFLA-ZDUSSCGKSA-N 0 1 286.404 2.871 20 30 CFEDMN C#CCC(C)(C)C(=O)NC[C@H](c1ccco1)N(CC)CC ZINC000185297294 381589524 /nfs/dbraw/zinc/58/95/24/381589524.db2.gz CAAOJEKKHBQSGB-CQSZACIVSA-N 0 1 290.407 2.828 20 30 CFEDMN C[C@H](C(=O)Nc1ccccc1C#N)N1CCC2(CC2)CC1 ZINC000371341442 381596073 /nfs/dbraw/zinc/59/60/73/381596073.db2.gz OGPXYFWNPHRJGH-CYBMUJFWSA-N 0 1 283.375 2.761 20 30 CFEDMN C[C@H](c1ccccc1)N1CCN(c2cccc(C#N)n2)CC1 ZINC000355105095 381614081 /nfs/dbraw/zinc/61/40/81/381614081.db2.gz VNGSZNRKUHSTQN-OAHLLOKOSA-N 0 1 292.386 2.836 20 30 CFEDMN CCC(CC)CN1C[C@@H](C#N)[C@]2(C1)c1ccccc1NC2=O ZINC000371468846 381633930 /nfs/dbraw/zinc/63/39/30/381633930.db2.gz BUCWZBRECVDKQC-RDTXWAMCSA-N 0 1 297.402 2.768 20 30 CFEDMN N#CC1(CN2CCCN(Cc3ccc(F)cc3)CC2)CC1 ZINC000343240592 381671141 /nfs/dbraw/zinc/67/11/41/381671141.db2.gz VFZOARGXLPTNCY-UHFFFAOYSA-N 0 1 287.382 2.637 20 30 CFEDMN N#CC1(CN(CCO)[C@H]2CCCc3ccccc32)CC1 ZINC000343301322 381674825 /nfs/dbraw/zinc/67/48/25/381674825.db2.gz JKPLCSAXUGSSJZ-INIZCTEOSA-N 0 1 270.376 2.662 20 30 CFEDMN CCCN(Cc1nnc(-c2cccc(C#N)c2)o1)C1CC1 ZINC000343404019 381688407 /nfs/dbraw/zinc/68/84/07/381688407.db2.gz NTZFWBYMTXFNRR-UHFFFAOYSA-N 0 1 282.347 2.983 20 30 CFEDMN COc1cc(CN2CC[C@@H](COC(F)F)C2)ccc1C#N ZINC000348870042 381746235 /nfs/dbraw/zinc/74/62/35/381746235.db2.gz ROVNLXZKFPCPOF-GFCCVEGCSA-N 0 1 296.317 2.628 20 30 CFEDMN C#CCC(C)(C)C(=O)N[C@H]1C[C@@H](C)[N@H+](Cc2ccccc2)C1 ZINC000185838161 381751729 /nfs/dbraw/zinc/75/17/29/381751729.db2.gz CYZZCIJYETWMKG-WBVHZDCISA-N 0 1 298.430 2.815 20 30 CFEDMN Cc1ccnc(N[C@H](c2nnc[nH]2)c2ccccc2)c1C#N ZINC000372261922 381781753 /nfs/dbraw/zinc/78/17/53/381781753.db2.gz PBBMBCDNIIDBTA-AWEZNQCLSA-N 0 1 290.330 2.581 20 30 CFEDMN C[C@H](C#N)CN(C)CCCCC(=O)OC(C)(C)C ZINC000343552321 381792210 /nfs/dbraw/zinc/79/22/10/381792210.db2.gz OACOKDHBMGFNQC-GFCCVEGCSA-N 0 1 254.374 2.590 20 30 CFEDMN Cc1cccc2nc(CN[C@H]3CCC[C@H](C#N)C3)cn21 ZINC000185885183 381767201 /nfs/dbraw/zinc/76/72/01/381767201.db2.gz KCFNBAAAHNSQTJ-KBPBESRZSA-N 0 1 268.364 2.815 20 30 CFEDMN N#CCCC[NH+]1CCC(C(=O)c2ccc([O-])cc2)CC1 ZINC000360238885 381773856 /nfs/dbraw/zinc/77/38/56/381773856.db2.gz UGBCZUGKDPLCPZ-UHFFFAOYSA-N 0 1 272.348 2.591 20 30 CFEDMN CCc1ccc(CN2CC[C@H](Oc3ccc(C#N)cn3)C2)o1 ZINC000292759280 381823388 /nfs/dbraw/zinc/82/33/88/381823388.db2.gz JHZVQHQRWMGHAV-INIZCTEOSA-N 0 1 297.358 2.762 20 30 CFEDMN C[C@H](C#N)CN(CCCC1CCOCC1)C1CC1 ZINC000361460230 381832053 /nfs/dbraw/zinc/83/20/53/381832053.db2.gz TZPCHWVJNYGSMJ-CYBMUJFWSA-N 0 1 250.386 2.817 20 30 CFEDMN C=C[C@@H]1CCCCN1Cc1cc(C(=O)OC)c(C)n1C ZINC000361135683 381803285 /nfs/dbraw/zinc/80/32/85/381803285.db2.gz HTUHSRAKWYEEPU-CYBMUJFWSA-N 0 1 276.380 2.661 20 30 CFEDMN CC[N@@H+](Cc1ccc(C(=O)N2CC(C)(C#N)C2)cc1)C1CC1 ZINC000361230816 381810523 /nfs/dbraw/zinc/81/05/23/381810523.db2.gz QMZYHGNJZBAVDF-UHFFFAOYSA-N 0 1 297.402 2.657 20 30 CFEDMN Cc1nc(N[C@@H]2C[C@@H](C)N(C3CC3)C2)c(Cl)cc1C#N ZINC000292726928 381819941 /nfs/dbraw/zinc/81/99/41/381819941.db2.gz UHTCVCHMHLPVTR-BXKDBHETSA-N 0 1 290.798 2.952 20 30 CFEDMN N#Cc1ccc(CN2CCC([C@@H]3CCOC3)CC2)cc1F ZINC000372815905 381876009 /nfs/dbraw/zinc/87/60/09/381876009.db2.gz QWPIGZYBSKYTHW-MRXNPFEDSA-N 0 1 288.366 2.946 20 30 CFEDMN CCCN(CCCCC#N)CC(=O)OC(C)(C)C ZINC000186311823 381879652 /nfs/dbraw/zinc/87/96/52/381879652.db2.gz UBXNUJBQEGVEPC-UHFFFAOYSA-N 0 1 254.374 2.734 20 30 CFEDMN C#CCN1CCC(C(=O)N(CCC)Cc2ccccc2)CC1 ZINC000299161414 381847745 /nfs/dbraw/zinc/84/77/45/381847745.db2.gz RKUHLDIFYFETFE-UHFFFAOYSA-N 0 1 298.430 2.770 20 30 CFEDMN Cc1ncccc1O[C@@H]1CC[N@@H+](Cc2ccc(C#N)cc2)C1 ZINC000372814030 381874148 /nfs/dbraw/zinc/87/41/48/381874148.db2.gz IHJIJNRCUXZNRG-QGZVFWFLSA-N 0 1 293.370 2.915 20 30 CFEDMN C#CCOc1cccc(NC(=O)c2cn[nH]c2C(C)(C)C)c1 ZINC000292958712 381923508 /nfs/dbraw/zinc/92/35/08/381923508.db2.gz AHRPXPPRIQLCLH-UHFFFAOYSA-N 0 1 297.358 2.972 20 30 CFEDMN CC(C)(C#N)CCCC[N@H+]1CCO[C@@H](C2CC2)C1 ZINC000373107654 381928087 /nfs/dbraw/zinc/92/80/87/381928087.db2.gz VNCIZMMJVUOTLI-CQSZACIVSA-N 0 1 250.386 2.817 20 30 CFEDMN CC(C)(C#N)CCCCN1CCO[C@@H](C2CC2)C1 ZINC000373107654 381928092 /nfs/dbraw/zinc/92/80/92/381928092.db2.gz VNCIZMMJVUOTLI-CQSZACIVSA-N 0 1 250.386 2.817 20 30 CFEDMN CC#CCN(C)C[C@H](O)COc1ccccc1C(C)C ZINC000293056477 381970919 /nfs/dbraw/zinc/97/09/19/381970919.db2.gz IGJFHUDHWCBMHZ-HNNXBMFYSA-N 0 1 275.392 2.505 20 30 CFEDMN C[C@H](NCc1cnn(CC(F)F)c1)c1ccc(C#N)cc1 ZINC000292995512 381940802 /nfs/dbraw/zinc/94/08/02/381940802.db2.gz NIKCBIFWGCLXQS-NSHDSACASA-N 0 1 290.317 2.871 20 30 CFEDMN Cc1nc(CN[C@H]2CCC[C@@H](C#N)C2)c2n1CCCC2 ZINC000373208432 381950425 /nfs/dbraw/zinc/95/04/25/381950425.db2.gz ZFAROAVYSUPVDV-KGLIPLIRSA-N 0 1 272.396 2.700 20 30 CFEDMN CCOC(=O)CC(C)(C)N(C)Cc1cc(C#N)ccc1F ZINC000343883471 382002787 /nfs/dbraw/zinc/00/27/87/382002787.db2.gz VPCVRAFYHNOWIU-UHFFFAOYSA-N 0 1 292.354 2.861 20 30 CFEDMN C=C(C)CN(CC)C(=O)[C@@H](C)N1CCS[C@H](C(C)C)C1 ZINC000362385120 382041235 /nfs/dbraw/zinc/04/12/35/382041235.db2.gz SFZIVKVAJMDNGE-CABCVRRESA-N 0 1 298.496 2.873 20 30 CFEDMN C=CCN(Cc1cccc([N+](=O)[O-])c1)C[C@@H](O)C(C)(C)C ZINC000343989788 382052401 /nfs/dbraw/zinc/05/24/01/382052401.db2.gz ZYKDEFSHFNWJIH-OAHLLOKOSA-N 0 1 292.379 2.990 20 30 CFEDMN CCCCN(CCO)Cc1ccc(Cl)cc1C#N ZINC000186948370 382052922 /nfs/dbraw/zinc/05/29/22/382052922.db2.gz GRUZGBRJBAHGAF-UHFFFAOYSA-N 0 1 266.772 2.806 20 30 CFEDMN C=C(C)CN(C)CC(=O)N(CC(C)C)CC(F)(F)F ZINC000351102719 382027283 /nfs/dbraw/zinc/02/72/83/382027283.db2.gz PVECNWNTZVOXFK-UHFFFAOYSA-N 0 1 280.334 2.541 20 30 CFEDMN C=C(C)CCN1CCN(C(=O)c2ccc(CC)cc2)CC1 ZINC000351853212 382068028 /nfs/dbraw/zinc/06/80/28/382068028.db2.gz LYKIODRWNWNSHO-UHFFFAOYSA-N 0 1 286.419 2.973 20 30 CFEDMN C[C@H](C(=O)Nc1cccc(C#N)c1)N1CCCC2(CC2)C1 ZINC000186996156 382071582 /nfs/dbraw/zinc/07/15/82/382071582.db2.gz BDGARSNJUHKTSW-CYBMUJFWSA-N 0 1 283.375 2.761 20 30 CFEDMN C=CCOCCN(CC=C)Cc1cccc(C#N)c1 ZINC000293365186 382095215 /nfs/dbraw/zinc/09/52/15/382095215.db2.gz FJAOUWGRHZUISR-UHFFFAOYSA-N 0 1 256.349 2.749 20 30 CFEDMN C[C@H](CNc1cccc(C#N)n1)N1CCc2sccc2C1 ZINC000301289106 382138550 /nfs/dbraw/zinc/13/85/50/382138550.db2.gz SIDQBNGSTIMNRW-GFCCVEGCSA-N 0 1 298.415 2.873 20 30 CFEDMN CN(Cc1ccc(C#N)cc1F)C[C@H](O)Cc1ccccc1 ZINC000293482943 382141964 /nfs/dbraw/zinc/14/19/64/382141964.db2.gz YHHJBMJLFVSJGP-QGZVFWFLSA-N 0 1 298.361 2.733 20 30 CFEDMN COC[C@@H](NCc1ccc(Cl)cc1C#N)C1CC1 ZINC000187452877 382186073 /nfs/dbraw/zinc/18/60/73/382186073.db2.gz YGKMDEBMLGVWSE-CQSZACIVSA-N 0 1 264.756 2.726 20 30 CFEDMN C[C@@H]1C[C@H](CO)CCN1CC#Cc1cccc(Cl)c1 ZINC000344150942 382162491 /nfs/dbraw/zinc/16/24/91/382162491.db2.gz GGAJFXKXOZXZAS-UKRRQHHQSA-N 0 1 277.795 2.784 20 30 CFEDMN C=C[C@@H](C)NC(=O)NC[C@H](c1ccco1)N(CC)CC ZINC000362707329 382208453 /nfs/dbraw/zinc/20/84/53/382208453.db2.gz NKKWHFXDTNAGQE-CHWSQXEVSA-N 0 1 279.384 2.536 20 30 CFEDMN CCc1cnc(CNCCOc2ccc(C#N)cc2)s1 ZINC000344240049 382221809 /nfs/dbraw/zinc/22/18/09/382221809.db2.gz ZVLJHKKXPUJIND-UHFFFAOYSA-N 0 1 287.388 2.746 20 30 CFEDMN Cc1cc(C[C@@H](C)NC(=O)Nc2cccc(C#N)c2C)n[nH]1 ZINC000187617545 382226230 /nfs/dbraw/zinc/22/62/30/382226230.db2.gz NSKPIJGESRHTMC-SNVBAGLBSA-N 0 1 297.362 2.651 20 30 CFEDMN C=CC[N@H+](Cc1cccc([N+](=O)[O-])c1)C[C@H]1CCOC1 ZINC000345133725 382287018 /nfs/dbraw/zinc/28/70/18/382287018.db2.gz KSWARGUDKVFKAP-CQSZACIVSA-N 0 1 276.336 2.619 20 30 CFEDMN C[C@@H](C#N)NC(=O)c1cccc2nc(-c3cccs3)[nH]c21 ZINC000352423341 382323873 /nfs/dbraw/zinc/32/38/73/382323873.db2.gz NNVGKBFMMHLQAO-VIFPVBQESA-N 0 1 296.355 2.933 20 30 CFEDMN COc1ccc(CCN2CCC(F)(C#N)CC2)cc1 ZINC000352451916 382340338 /nfs/dbraw/zinc/34/03/38/382340338.db2.gz ZFGSLUZOVBANRP-UHFFFAOYSA-N 0 1 262.328 2.565 20 30 CFEDMN CC(C)Cc1ncc(NC(=O)c2ccc(C#N)c(O)c2)cn1 ZINC000352502438 382369873 /nfs/dbraw/zinc/36/98/73/382369873.db2.gz UWWCTOVDIATSKL-UHFFFAOYSA-N 0 1 296.330 2.505 20 30 CFEDMN N#Cc1ccc(CN[C@]2(CO)CCc3ccccc32)cc1F ZINC000365269386 382370587 /nfs/dbraw/zinc/37/05/87/382370587.db2.gz SPPIODMMJLAUJL-SFHVURJKSA-N 0 1 296.345 2.621 20 30 CFEDMN CCCCCN(CCO)Cc1ccc(F)cc1C#N ZINC000304084030 382375155 /nfs/dbraw/zinc/37/51/55/382375155.db2.gz ZHHXVRIZTLCCSE-UHFFFAOYSA-N 0 1 264.344 2.682 20 30 CFEDMN CC(C)(C#N)CCCC[N@H+]1CCOC[C@H]1[C@@H]1CCCC1=O ZINC000365468643 382398666 /nfs/dbraw/zinc/39/86/66/382398666.db2.gz XZZWJZWHJLBCPE-GJZGRUSLSA-N 0 1 292.423 2.776 20 30 CFEDMN CC(C)(C#N)CCCCN1CCOC[C@H]1[C@@H]1CCCC1=O ZINC000365468643 382398669 /nfs/dbraw/zinc/39/86/69/382398669.db2.gz XZZWJZWHJLBCPE-GJZGRUSLSA-N 0 1 292.423 2.776 20 30 CFEDMN C[C@H](O)C[C@@H]1CCCN1CC#Cc1ccccc1Cl ZINC000305199564 382434117 /nfs/dbraw/zinc/43/41/17/382434117.db2.gz AAJSXHHRIDGXNZ-ZFWWWQNUSA-N 0 1 277.795 2.927 20 30 CFEDMN C=CC[N@H+](CCc1ccco1)C[C@@H](O)CC(F)(F)F ZINC000346627435 382444124 /nfs/dbraw/zinc/44/41/24/382444124.db2.gz YDYSSJJGXXUKFQ-NSHDSACASA-N 0 1 277.286 2.623 20 30 CFEDMN CC[N@H+]1CCN(CC#Cc2ccccc2Cl)[C@@H](C)C1 ZINC000352670108 382444761 /nfs/dbraw/zinc/44/47/61/382444761.db2.gz CXFRLZKZXUNRJO-AWEZNQCLSA-N 0 1 276.811 2.718 20 30 CFEDMN OCC[C@@H](NCC#Cc1ccc(F)cc1)c1ccccc1 ZINC000305777816 382446396 /nfs/dbraw/zinc/44/63/96/382446396.db2.gz QBRAJJYONBWANG-GOSISDBHSA-N 0 1 283.346 2.891 20 30 CFEDMN COc1cc(CN2CC[C@@H](n3cc(C)cn3)C2)ccc1C#N ZINC000365611181 382421680 /nfs/dbraw/zinc/42/16/80/382421680.db2.gz TYJTXZZWXBLREI-MRXNPFEDSA-N 0 1 296.374 2.519 20 30 CFEDMN CC(C)c1csc(C(C#N)C(=O)N[C@H](C)C2CC2)n1 ZINC000358095809 382452075 /nfs/dbraw/zinc/45/20/75/382452075.db2.gz LGUXMQVRNQWJQI-MWLCHTKSSA-N 0 1 277.393 2.788 20 30 CFEDMN C=CC(C)(C)C(=O)NC[C@H](c1cccc(F)c1)N(C)C ZINC000294277377 382490740 /nfs/dbraw/zinc/49/07/40/382490740.db2.gz FFJYCTSKPHBNFI-CQSZACIVSA-N 0 1 278.371 2.757 20 30 CFEDMN CC(C)[C@](C)(O)CN1C[C@@H](c2ccccc2)[C@H](C#N)C1 ZINC000366498964 382520873 /nfs/dbraw/zinc/52/08/73/382520873.db2.gz VKKBZYQBFKUFTP-IXDOHACOSA-N 0 1 272.392 2.633 20 30 CFEDMN C[C@@H](c1ccccc1F)N1CCC(n2cnc(C#N)n2)CC1 ZINC000366391978 382503252 /nfs/dbraw/zinc/50/32/52/382503252.db2.gz MOBCIEPBHQANKR-LBPRGKRZSA-N 0 1 299.353 2.687 20 30 CFEDMN Cc1cc(C(=O)N(Cc2ccc(C#N)cc2)CC(C)C)n[nH]1 ZINC000346847065 382542680 /nfs/dbraw/zinc/54/26/80/382542680.db2.gz DQVQXSFZZJXFIA-UHFFFAOYSA-N 0 1 296.374 2.888 20 30 CFEDMN C[C@@H](C(=O)N[C@H]1C(=O)NCC[C@H]1C)N1[C@H](C)CC[C@H]1C ZINC000328600253 382551788 /nfs/dbraw/zinc/55/17/88/382551788.db2.gz CVZASEUAADKWEG-NJMOYASZSA-N 0 1 281.400 2.569 20 30 CFEDMN CCc1ncc(NC(=O)N[C@H]2CCc3ccccc3C2)cn1 ZINC000328600794 382553707 /nfs/dbraw/zinc/55/37/07/382553707.db2.gz DGSNEJLYXXHWIT-AWEZNQCLSA-N 0 1 296.374 2.922 20 30 CFEDMN COc1cc(CN[C@H](C)c2cncs2)ccc1C#N ZINC000353610427 382576790 /nfs/dbraw/zinc/57/67/90/382576790.db2.gz MKGHIRVIDZGCMK-SNVBAGLBSA-N 0 1 273.361 2.874 20 30 CFEDMN C[C@]1(C(=O)N[C@@H]2CCCc3cn[nH]c32)CCC(=O)NC1 ZINC000328685385 382563515 /nfs/dbraw/zinc/56/35/15/382563515.db2.gz XKFDUWDZPCTMJB-YGRLFVJLSA-N 0 1 276.340 2.500 20 30 CFEDMN N#Cc1cccc(C(=O)Nc2cccc(-c3cn[nH]n3)c2)c1 ZINC000346896556 382563520 /nfs/dbraw/zinc/56/35/20/382563520.db2.gz LJVDWRVWKRITJM-UHFFFAOYSA-N 0 1 289.298 2.596 20 30 CFEDMN COc1ccc(F)cc1CNCc1cccc(C#N)c1 ZINC000189207782 382565628 /nfs/dbraw/zinc/56/56/28/382565628.db2.gz HGJGCBTYUWUDLO-UHFFFAOYSA-N 0 1 270.307 2.996 20 30 CFEDMN C=CCNC(=O)[C@@H](C)N[C@@H](c1ccccn1)C1CCCC1 ZINC000367729788 382584479 /nfs/dbraw/zinc/58/44/79/382584479.db2.gz PZLARJMDWKADJT-CZUORRHYSA-N 0 1 287.407 2.593 20 30 CFEDMN C[C@H](NC1CCN(c2ccc(C#N)cc2)CC1)c1ccon1 ZINC000353668933 382600811 /nfs/dbraw/zinc/60/08/11/382600811.db2.gz GSRUSZRBAGKNKT-ZDUSSCGKSA-N 0 1 296.374 2.866 20 30 CFEDMN CC(C)C(=O)N1CCCN([C@H](C)c2cccc(C#N)c2)CC1 ZINC000189866265 382643295 /nfs/dbraw/zinc/64/32/95/382643295.db2.gz JACJHIHERXPIKY-OAHLLOKOSA-N 0 1 299.418 2.810 20 30 CFEDMN C[C@@H](c1cccc(C#N)c1)N1CCCN(C(=O)C2CC2)CC1 ZINC000190046832 382651746 /nfs/dbraw/zinc/65/17/46/382651746.db2.gz VRTRFDRIITXSGF-AWEZNQCLSA-N 0 1 297.402 2.564 20 30 CFEDMN Cc1ccc(C(=O)[C@@H](C#N)c2cnc3ccccc3n2)n1C ZINC000190998176 382687725 /nfs/dbraw/zinc/68/77/25/382687725.db2.gz RNDYPKBFCUGLRI-LBPRGKRZSA-N 0 1 290.326 2.767 20 30 CFEDMN C=CCNC(=O)[C@H](C)N[C@H](C)c1cc2ccccc2o1 ZINC000190643769 382675920 /nfs/dbraw/zinc/67/59/20/382675920.db2.gz UFTNXSZPZQGMIA-NEPJUHHUSA-N 0 1 272.348 2.774 20 30 CFEDMN C[C@@H]1C[N@@H+](CC#Cc2ccc(C(F)(F)F)cc2)C[C@H]1CO ZINC000190870896 382683336 /nfs/dbraw/zinc/68/33/36/382683336.db2.gz NQWLFLRTDKXJEY-OCCSQVGLSA-N 0 1 297.320 2.617 20 30 CFEDMN Cn1cc(CN[C@H](c2ccccc2)[C@H]2CCCO2)cc1C#N ZINC000190900384 382684405 /nfs/dbraw/zinc/68/44/05/382684405.db2.gz OMJICHDJELPZSD-QZTJIDSGSA-N 0 1 295.386 2.907 20 30 CFEDMN COc1ncccc1CN1CCC(CCC#N)CC1 ZINC000399431384 382639106 /nfs/dbraw/zinc/63/91/06/382639106.db2.gz YWNDMIOLLPHOOA-UHFFFAOYSA-N 0 1 259.353 2.606 20 30 CFEDMN C=CCOc1cccc(CN(CC=C)CCOC)c1 ZINC000191764527 382702305 /nfs/dbraw/zinc/70/23/05/382702305.db2.gz KXFYMJUBWMMQGE-UHFFFAOYSA-N 0 1 261.365 2.886 20 30 CFEDMN C=CCN(CCOC)Cc1ccc([N+](=O)[O-])cc1C ZINC000191763395 382702501 /nfs/dbraw/zinc/70/25/01/382702501.db2.gz BTOWTZMGPPACLG-UHFFFAOYSA-N 0 1 264.325 2.538 20 30 CFEDMN CC(C)C(=O)NC[C@@H]1CCCN(CC#Cc2ccccc2)C1 ZINC000191982588 382704052 /nfs/dbraw/zinc/70/40/52/382704052.db2.gz MTIYLKJPDWXREO-SFHVURJKSA-N 0 1 298.430 2.522 20 30 CFEDMN Cc1nc([C@H](N[C@H]2CCC[C@H](C#N)C2)c2ccccc2)n[nH]1 ZINC000192812033 382712548 /nfs/dbraw/zinc/71/25/48/382712548.db2.gz APEXIBPAGHWFLQ-CWRNSKLLSA-N 0 1 295.390 2.875 20 30 CFEDMN CC(C)c1nc2n(n1)CCC[C@@H]2N[C@H]1CCC[C@H](C#N)C1 ZINC000192948244 382713848 /nfs/dbraw/zinc/71/38/48/382713848.db2.gz GNZDEWXZBAUUHZ-IHRRRGAJSA-N 0 1 287.411 2.908 20 30 CFEDMN C=CCN(CC=C)C(=O)[C@H](c1ccccc1)N(C)CC ZINC000193121801 382716172 /nfs/dbraw/zinc/71/61/72/382716172.db2.gz SXUQWRPGYREMKJ-INIZCTEOSA-N 0 1 272.392 2.880 20 30 CFEDMN C=CCN(CCOC)Cc1cccc([N+](=O)[O-])c1C ZINC000191085867 382690591 /nfs/dbraw/zinc/69/05/91/382690591.db2.gz RQDPXGLFUABXFX-UHFFFAOYSA-N 0 1 264.325 2.538 20 30 CFEDMN C=CCN1CC[C@@H](N(C)Cc2c(C)cc(C)cc2C)C1=O ZINC000337122805 382763499 /nfs/dbraw/zinc/76/34/99/382763499.db2.gz BQULVHZDCKNDQV-QGZVFWFLSA-N 0 1 286.419 2.831 20 30 CFEDMN C=CCN1CC[C@@H](N(C)[C@H](C)c2ccc(C)cc2)C1=O ZINC000337125123 382763979 /nfs/dbraw/zinc/76/39/79/382763979.db2.gz DUXVTGDMLVGAFD-GDBMZVCRSA-N 0 1 272.392 2.775 20 30 CFEDMN C=CCN1CC[C@H](N(CC)Cc2cccc(Cl)c2)C1=O ZINC000337140201 382766786 /nfs/dbraw/zinc/76/67/86/382766786.db2.gz QUNODGHYMPUZBZ-HNNXBMFYSA-N 0 1 292.810 2.949 20 30 CFEDMN CCC[C@@H]1CN(CCCC2(C#N)CCOCC2)CCO1 ZINC000337197153 382774671 /nfs/dbraw/zinc/77/46/71/382774671.db2.gz YGFZTYIANIKABK-OAHLLOKOSA-N 0 1 280.412 2.588 20 30 CFEDMN N#CC1(CCCN2CCc3ncsc3C2)CCOCC1 ZINC000337209784 382777477 /nfs/dbraw/zinc/77/74/77/382777477.db2.gz SPEQDGGJYKWVMJ-UHFFFAOYSA-N 0 1 291.420 2.602 20 30 CFEDMN N#Cc1cccc(OCCCN2CCO[C@H]3CCC[C@H]32)c1 ZINC000227152474 382834201 /nfs/dbraw/zinc/83/42/01/382834201.db2.gz BEOQZUZUYUBYJM-SJORKVTESA-N 0 1 286.375 2.580 20 30 CFEDMN CC[C@@H](CNCc1ccc(C#N)o1)NC(=O)OC(C)(C)C ZINC000227717762 382840461 /nfs/dbraw/zinc/84/04/61/382840461.db2.gz FYHUZEBUFIGRIB-NSHDSACASA-N 0 1 293.367 2.544 20 30 CFEDMN N#Cc1csc(CN[C@@]2(CO)CCCc3ccccc32)c1 ZINC000441351480 382908485 /nfs/dbraw/zinc/90/84/85/382908485.db2.gz JDEVAPTZQGYCNU-QGZVFWFLSA-N 0 1 298.411 2.933 20 30 CFEDMN CCC1(C)CCN([C@@H](C)C(=O)N[C@@](C)(C#N)C(C)C)CC1 ZINC000337675965 382854637 /nfs/dbraw/zinc/85/46/37/382854637.db2.gz FTSTZPNMBYGQRN-YOEHRIQHSA-N 0 1 293.455 2.941 20 30 CFEDMN N#Cc1cnc2c(Cl)cccc2c1NCCN1CCC1 ZINC000577487763 382860876 /nfs/dbraw/zinc/86/08/76/382860876.db2.gz IFDSZBFCWQLCOR-UHFFFAOYSA-N 0 1 286.766 2.877 20 30 CFEDMN COc1cc(CNCc2ccccc2F)ccc1C#N ZINC000234928560 382875844 /nfs/dbraw/zinc/87/58/44/382875844.db2.gz WBXLAWKZECIZGI-UHFFFAOYSA-N 0 1 270.307 2.996 20 30 CFEDMN COc1cc(CN2CCSC(C)(C)C2)ccc1C#N ZINC000234990575 382876153 /nfs/dbraw/zinc/87/61/53/382876153.db2.gz YUPAYHDUFOXMKA-UHFFFAOYSA-N 0 1 276.405 2.894 20 30 CFEDMN C=C(C)CN(CC)Cc1ccc(C#N)cc1[N+](=O)[O-] ZINC000578656393 382943344 /nfs/dbraw/zinc/94/33/44/382943344.db2.gz TWIOGJVXTGKSBM-UHFFFAOYSA-N 0 1 259.309 2.864 20 30 CFEDMN COc1ccc(CNCc2cccc(C#N)c2)cc1[N+](=O)[O-] ZINC000237238260 382953522 /nfs/dbraw/zinc/95/35/22/382953522.db2.gz YMQIEBYRZCFTMJ-UHFFFAOYSA-N 0 1 297.314 2.765 20 30 CFEDMN CCC[C@H](C)N(C)Cc1cccc(C(=O)OC)c1C#N ZINC000535228189 382953521 /nfs/dbraw/zinc/95/35/21/382953521.db2.gz YUMGOXYWKJVHMW-LBPRGKRZSA-N 0 1 274.364 2.965 20 30 CFEDMN N#C[C@H]1CC[C@@H](NCC(=O)Nc2ccc(Cl)cc2)C1 ZINC000442781766 382955695 /nfs/dbraw/zinc/95/56/95/382955695.db2.gz QAOGOHFKOQSNJB-GXFFZTMASA-N 0 1 277.755 2.560 20 30 CFEDMN Cc1ncc([C@H](C)NCc2ccc(C#N)s2)c(C)n1 ZINC000421885313 382960355 /nfs/dbraw/zinc/96/03/55/382960355.db2.gz RDUGXBLGHIJHSE-VIFPVBQESA-N 0 1 272.377 2.877 20 30 CFEDMN N#C[C@@H]1CC[C@@H](NCc2ccncc2OCC(F)(F)F)C1 ZINC000442866140 382962716 /nfs/dbraw/zinc/96/27/16/382962716.db2.gz KGELCXPBBZDIEP-ZYHUDNBSSA-N 0 1 299.296 2.805 20 30 CFEDMN CC(C)(C)OC(=O)NC[C@@](C)(NCC1(C#N)CC1)C1CC1 ZINC000494709009 382921287 /nfs/dbraw/zinc/92/12/87/382921287.db2.gz FVCMFRWGZUJDQW-OAHLLOKOSA-N 0 1 293.411 2.573 20 30 CFEDMN C=CCC[N@H+](CC(=O)[O-])Cc1cccc(Br)c1 ZINC000578516200 382928575 /nfs/dbraw/zinc/92/85/75/382928575.db2.gz YGPPRNIUOOGVRL-UHFFFAOYSA-N 0 1 298.180 2.912 20 30 CFEDMN C=CC[C@@H]1N(CC(=O)Nc2ccncc2)CCCC1(C)C ZINC000444784956 382982322 /nfs/dbraw/zinc/98/23/22/382982322.db2.gz WZCRIRNNVXETNN-HNNXBMFYSA-N 0 1 287.407 2.509 20 30 CFEDMN Cn1cc2c(n1)CCC[C@H]2NCc1cc(C#N)cs1 ZINC000549011274 382995394 /nfs/dbraw/zinc/99/53/94/382995394.db2.gz QZEXAIHQOZCISM-CYBMUJFWSA-N 0 1 272.377 2.520 20 30 CFEDMN CC(C)(C)OC(=O)N1CCCN([C@H]2CC[C@@H](C#N)C2)CC1 ZINC000495593492 382999556 /nfs/dbraw/zinc/99/95/56/382999556.db2.gz KNJUBIBDBIVSGW-KGLIPLIRSA-N 0 1 293.411 2.621 20 30 CFEDMN C=CCOCCCC(=O)Nc1ccc(F)c(F)c1O ZINC000457289693 383013016 /nfs/dbraw/zinc/01/30/16/383013016.db2.gz ISRXNMRZMOYIDS-UHFFFAOYSA-N 0 1 271.263 2.592 20 30 CFEDMN COC(=O)c1ccc(CN2CCC(CC#N)CC2)s1 ZINC000542883727 382970424 /nfs/dbraw/zinc/97/04/24/382970424.db2.gz WJWIAQOIMHRYGC-UHFFFAOYSA-N 0 1 278.377 2.660 20 30 CFEDMN COC(=O)c1cccc(CN2C[C@H](C)C[C@@H]2C)c1C#N ZINC000550389958 383025083 /nfs/dbraw/zinc/02/50/83/383025083.db2.gz YPEYOOFHRIFENE-NEPJUHHUSA-N 0 1 272.348 2.575 20 30 CFEDMN C[C@@H]1CCN(C(=O)OC(C)(C)C)[C@@H](C)[C@H]1NCCC#N ZINC000497089763 383129691 /nfs/dbraw/zinc/12/96/91/383129691.db2.gz BZKGMOSJKKVZQH-AGIUHOORSA-N 0 1 281.400 2.524 20 30 CFEDMN C=CC[C@@H](C(=O)N(C)Cc1cnc[nH]1)c1ccccc1 ZINC000616927544 383142615 /nfs/dbraw/zinc/14/26/15/383142615.db2.gz KVVYZOKDVPRCKB-OAHLLOKOSA-N 0 1 269.348 2.728 20 30 CFEDMN C=CCCC[C@@H](C)[N@H+]1CCSC[C@@H]1CC(=O)[O-] ZINC000583268403 383089149 /nfs/dbraw/zinc/08/91/49/383089149.db2.gz OOLVAVWTSLSDOB-NEPJUHHUSA-N 0 1 257.399 2.623 20 30 CFEDMN C=CCOc1ccc(C[N@@H+]2CCC[C@@H](CC(=O)[O-])C2)cc1 ZINC000583981981 383094765 /nfs/dbraw/zinc/09/47/65/383094765.db2.gz YKELWDWCGLGWLM-HNNXBMFYSA-N 0 1 289.375 2.938 20 30 CFEDMN CC(=Cc1ccc(C)cc1)c1nc(C)c(C#N)c(=O)[nH]1 ZINC000584447887 383102996 /nfs/dbraw/zinc/10/29/96/383102996.db2.gz AHPNVYXUUQYZOT-DHZHZOJOSA-N 0 1 265.316 2.819 20 30 CFEDMN N#CCCCN1CCCC[C@H]1COC(=O)NC1CCCC1 ZINC000496499945 383109134 /nfs/dbraw/zinc/10/91/34/383109134.db2.gz MLXHEPKZYVGNIS-HNNXBMFYSA-N 0 1 293.411 2.813 20 30 CFEDMN CC(C)O[C@@H]1CCN(CC#Cc2ccc(F)cc2)C1 ZINC000564915988 383174260 /nfs/dbraw/zinc/17/42/60/383174260.db2.gz PCDMDCFLGDYXRW-MRXNPFEDSA-N 0 1 261.340 2.677 20 30 CFEDMN Cc1nc2cccc(C(=O)Nc3cc(CC#N)ccn3)c2[nH]1 ZINC000565316663 383177675 /nfs/dbraw/zinc/17/76/75/383177675.db2.gz FQZAWDYZDCGOPG-UHFFFAOYSA-N 0 1 291.314 2.585 20 30 CFEDMN CC[C@H](C(=O)NC1(C#N)CCCC1)N(C)Cc1ccccc1 ZINC000339269715 383187698 /nfs/dbraw/zinc/18/76/98/383187698.db2.gz IGRMFXBNHOFIOJ-MRXNPFEDSA-N 0 1 299.418 2.850 20 30 CFEDMN C=C1CCN(C(=O)c2cccc(Br)c2O)CC1 ZINC000518657517 383206308 /nfs/dbraw/zinc/20/63/08/383206308.db2.gz MLVGTCCASBLERG-UHFFFAOYSA-N 0 1 296.164 2.947 20 30 CFEDMN C=C(C)C(C)(C)C(=O)NCCN(C)Cc1ccc(F)cc1 ZINC000424705314 383236874 /nfs/dbraw/zinc/23/68/74/383236874.db2.gz NONJAZMMFIHEPK-UHFFFAOYSA-N 0 1 292.398 2.976 20 30 CFEDMN C[C@@H](C(=O)N(C)C1(C#N)CCC(C)CC1)N1C[C@@H](C)[C@@H]1C ZINC000339570336 383246253 /nfs/dbraw/zinc/24/62/53/383246253.db2.gz XLIRRJXHWFVGEG-CLPSQLOGSA-N 0 1 291.439 2.646 20 30 CFEDMN C[C@@H](c1cccc(C#N)c1)N(C)C(=O)c1cc(C2CC2)[nH]n1 ZINC000425136878 383329137 /nfs/dbraw/zinc/32/91/37/383329137.db2.gz XEOCRYWZVQWGIR-NSHDSACASA-N 0 1 294.358 2.992 20 30 CFEDMN CCO[C@@H]1CCN(Cc2ccc(C#N)s2)C[C@H]1C ZINC000449493961 383331409 /nfs/dbraw/zinc/33/14/09/383331409.db2.gz MLOFARSCRNXGLJ-BXUZGUMPSA-N 0 1 264.394 2.867 20 30 CFEDMN C=CCN(Cc1cccs1)C[C@H](O)C[C@](C)(O)C1CC1 ZINC000634641150 383294737 /nfs/dbraw/zinc/29/47/37/383294737.db2.gz NTVBIMGUSGYJEL-ZBFHGGJFSA-N 0 1 295.448 2.648 20 30 CFEDMN CC[C@@H](C(=O)N[C@@H]1CC[C@H](C#N)C1)N(C)Cc1ccccc1 ZINC000424966998 383299049 /nfs/dbraw/zinc/29/90/49/383299049.db2.gz OXSNWCIWZGYWGX-BBWFWOEESA-N 0 1 299.418 2.705 20 30 CFEDMN C=CCN(c1nc(C(F)(F)F)nc2[nH]cnc21)C1CC1 ZINC000568463012 383404433 /nfs/dbraw/zinc/40/44/33/383404433.db2.gz IJTDQJNXXMUYET-UHFFFAOYSA-N 0 1 283.257 2.527 20 30 CFEDMN N#CC1(C[N@H+]2CC[C@@H](CNc3ccccn3)C2)CCC1 ZINC000450427161 383405209 /nfs/dbraw/zinc/40/52/09/383405209.db2.gz RUAYFPVCDOKRSK-AWEZNQCLSA-N 0 1 270.380 2.509 20 30 CFEDMN C=CCCN(C)CC(=O)NC12CC3CC(CC(C3)C1)C2 ZINC000467294795 383352258 /nfs/dbraw/zinc/35/22/58/383352258.db2.gz DKPCCHDLEUGCTQ-UHFFFAOYSA-N 0 1 276.424 2.579 20 30 CFEDMN C=CCCN(C)CC(=O)N[C@H](C)c1ccc(C)c(C)c1 ZINC000467300654 383352389 /nfs/dbraw/zinc/35/23/89/383352389.db2.gz VDCKGCQHVCOMLF-OAHLLOKOSA-N 0 1 274.408 2.989 20 30 CFEDMN C=CCCN(C)CC(=O)N[C@@H](C)c1ccc(C)c(C)c1 ZINC000467300653 383352486 /nfs/dbraw/zinc/35/24/86/383352486.db2.gz VDCKGCQHVCOMLF-HNNXBMFYSA-N 0 1 274.408 2.989 20 30 CFEDMN C=CCC[C@@H](CO)NCc1nc2c(s1)C[C@@H](C)CC2 ZINC000449698834 383362345 /nfs/dbraw/zinc/36/23/45/383362345.db2.gz PDHGLIBKOQBXQW-RYUDHWBXSA-N 0 1 280.437 2.685 20 30 CFEDMN C=C(CC)CNCc1c(C)nn(C)c1OCC(F)(F)F ZINC000449735094 383363214 /nfs/dbraw/zinc/36/32/14/383363214.db2.gz TURFAJTXTRTQQV-UHFFFAOYSA-N 0 1 291.317 2.725 20 30 CFEDMN C=CCOc1ccccc1C[N@@H+]1CC[C@@H](CCCO)C1 ZINC000449792544 383366049 /nfs/dbraw/zinc/36/60/49/383366049.db2.gz UBUUQECDBMPVSE-OAHLLOKOSA-N 0 1 275.392 2.846 20 30 CFEDMN C=C(C)C(C)(C)C(=O)N1C[C@H](C)N(CC)C[C@H]1C ZINC000425570702 383386184 /nfs/dbraw/zinc/38/61/84/383386184.db2.gz MRMATLUFAHOYGY-QWHCGFSZSA-N 0 1 252.402 2.530 20 30 CFEDMN CN(Cc1cccc(F)c1C#N)C[C@H]1CCCOC1 ZINC000428212210 383424857 /nfs/dbraw/zinc/42/48/57/383424857.db2.gz ZNZLAYWTVHACGZ-GFCCVEGCSA-N 0 1 262.328 2.556 20 30 CFEDMN C[C@]1(CO)CCCN1Cc1ccc(C#N)cc1Cl ZINC000526135182 383433535 /nfs/dbraw/zinc/43/35/35/383433535.db2.gz ACLOLIBFKNRCNO-CQSZACIVSA-N 0 1 264.756 2.558 20 30 CFEDMN CCOC(=O)CC(C)(C)N(C)Cc1cccc(F)c1C#N ZINC000428290181 383443125 /nfs/dbraw/zinc/44/31/25/383443125.db2.gz WNTGTYDSCWYUFI-UHFFFAOYSA-N 0 1 292.354 2.861 20 30 CFEDMN C=CCCC[C@@H](C)NC(=O)N1CCN(C)[C@H](C(C)C)C1 ZINC000486489198 383472597 /nfs/dbraw/zinc/47/25/97/383472597.db2.gz QCNSVDYQNWLION-CABCVRRESA-N 0 1 281.444 2.713 20 30 CFEDMN COCCN(Cc1cccc(F)c1C#N)CC(C)C ZINC000428488031 383485721 /nfs/dbraw/zinc/48/57/21/383485721.db2.gz RRTZDMOBWBFHRG-UHFFFAOYSA-N 0 1 264.344 2.802 20 30 CFEDMN C[C@@H]1CC[C@H](N(C)CC(=O)Nc2sccc2C#N)C1 ZINC000429579569 383549585 /nfs/dbraw/zinc/54/95/85/383549585.db2.gz RCGREUWCXQLGSJ-PWSUYJOCSA-N 0 1 277.393 2.679 20 30 CFEDMN C=CCCCCCN1CCO[C@@H](COCC2CC2)C1 ZINC000488045967 383490689 /nfs/dbraw/zinc/49/06/89/383490689.db2.gz SYKVNYRYDJTDFS-MRXNPFEDSA-N 0 1 267.413 2.860 20 30 CFEDMN CC[C@H]1CN(CC)CCN1c1ncc(Cl)c(C)c1C#N ZINC000450829816 383508867 /nfs/dbraw/zinc/50/88/67/383508867.db2.gz NDNDZDKKIVGAJW-LBPRGKRZSA-N 0 1 292.814 2.836 20 30 CFEDMN CC[C@@H]1CN(CC)CCN1c1ncc(Cl)c(C)c1C#N ZINC000450829814 383509416 /nfs/dbraw/zinc/50/94/16/383509416.db2.gz NDNDZDKKIVGAJW-GFCCVEGCSA-N 0 1 292.814 2.836 20 30 CFEDMN C=CCN(CCC#N)C[C@@H](C)CC1CCOCC1 ZINC000430099495 383588882 /nfs/dbraw/zinc/58/88/82/383588882.db2.gz LOVYJYFNYACPRC-AWEZNQCLSA-N 0 1 250.386 2.841 20 30 CFEDMN CC[C@@H](CC#N)NC[C@H](O)COc1cc(C)ccc1Cl ZINC000570981831 383653208 /nfs/dbraw/zinc/65/32/08/383653208.db2.gz XWMDURIBWFUSDS-STQMWFEESA-N 0 1 296.798 2.670 20 30 CFEDMN C=C[C@@H]1CCCCN1CC(=O)N1CCCC[C@H]1CC ZINC000489437181 383619430 /nfs/dbraw/zinc/61/94/30/383619430.db2.gz WLWAQRAZTYTBBI-HUUCEWRRSA-N 0 1 264.413 2.818 20 30 CFEDMN C[C@H]1O[C@@H](C)[C@@H](C)[C@H]1NCc1cccc(F)c1C#N ZINC000528757957 383626421 /nfs/dbraw/zinc/62/64/21/383626421.db2.gz HEALZRJSEVMMQJ-JNIYBQFBSA-N 0 1 262.328 2.599 20 30 CFEDMN CO[C@@H]1C[C@@H](NCc2ccc(F)cc2C#N)C1(C)C ZINC000451504580 383630394 /nfs/dbraw/zinc/63/03/94/383630394.db2.gz QZXSXJWCCFULLP-ZIAGYGMSSA-N 0 1 262.328 2.600 20 30 CFEDMN CC(C)(C)CN(CCC#N)Cc1n[nH]c(C(C)(C)C)n1 ZINC000432817063 383750765 /nfs/dbraw/zinc/75/07/65/383750765.db2.gz AWILKFKTKSHZMY-UHFFFAOYSA-N 0 1 277.416 2.864 20 30 CFEDMN CCN(CCC#N)C(=O)CN1CCC[C@@H](c2ccccc2)C1 ZINC000433063537 383753850 /nfs/dbraw/zinc/75/38/50/383753850.db2.gz STPDOLSSNYILRH-QGZVFWFLSA-N 0 1 299.418 2.628 20 30 CFEDMN COCCN(CC#Cc1ccccc1)[C@H]1CCCSC1 ZINC000433181413 383756054 /nfs/dbraw/zinc/75/60/54/383756054.db2.gz JOEQCYNOVQVUCO-KRWDZBQOSA-N 0 1 289.444 2.882 20 30 CFEDMN CN(CCC(=O)Nc1cccc(F)c1)CC(C)(C)C#N ZINC000433307783 383759329 /nfs/dbraw/zinc/75/93/29/383759329.db2.gz VWTSAVPIWBBGHV-UHFFFAOYSA-N 0 1 277.343 2.636 20 30 CFEDMN C[C@@H](CC#N)N(C)C(=O)C(C#N)CCc1ccccc1 ZINC000433342227 383761377 /nfs/dbraw/zinc/76/13/77/383761377.db2.gz KELVFTKJNDVOMN-DZGCQCFKSA-N 0 1 269.348 2.520 20 30 CFEDMN C=CCC[C@H](O)CN1CCCC[C@H]1c1nccn1CC ZINC000280968419 195050767 /nfs/dbraw/zinc/05/07/67/195050767.db2.gz KIOQLMKGEMMXBV-GJZGRUSLSA-N 0 1 277.412 2.757 20 30 CFEDMN C=CCNC(=O)CN1CCC[C@@]1(C)Cc1ccccc1F ZINC000646013600 383819183 /nfs/dbraw/zinc/81/91/83/383819183.db2.gz GPJVQZFCMAQGSZ-KRWDZBQOSA-N 0 1 290.382 2.525 20 30 CFEDMN Cc1ccc(-c2cc(C(=O)N3CC(C)(C#N)C3)n[nH]2)cc1C ZINC000435927526 383781114 /nfs/dbraw/zinc/78/11/14/383781114.db2.gz CBXOFRRDFWCOHM-UHFFFAOYSA-N 0 1 294.358 2.679 20 30 CFEDMN C=CCC(CC=C)C(=O)N1C[C@@H](C)N(CC)[C@@H](C)C1 ZINC000640614058 383847814 /nfs/dbraw/zinc/84/78/14/383847814.db2.gz IYDLICCSWIXMNQ-OKILXGFUSA-N 0 1 264.413 2.696 20 30 CFEDMN C=C(C)[C@H]1OCC[C@H]1C(=O)Nc1cc(C(C)=O)ccc1O ZINC000436794125 383895204 /nfs/dbraw/zinc/89/52/04/383895204.db2.gz ABOYZGFNMGCLKO-IUODEOHRSA-N 0 1 289.331 2.515 20 30 CFEDMN CC(C)n1cc(C#N)c(=NC(=O)[C@@H]2CC23CCCCC3)[nH]1 ZINC000532178903 383988068 /nfs/dbraw/zinc/98/80/68/383988068.db2.gz MAVRDJKBOOZKCA-ZDUSSCGKSA-N 0 1 286.379 2.666 20 30 CFEDMN C=CCCC(C)(C)CNC(=O)NCc1n[nH]c(C(C)C)n1 ZINC000637184303 383975233 /nfs/dbraw/zinc/97/52/33/383975233.db2.gz YODTZIBBXXUBJI-UHFFFAOYSA-N 0 1 293.415 2.720 20 30 CFEDMN N#Cc1ccc(CN2CC[C@H](COc3ccccc3)C2)nc1 ZINC000573979731 384024021 /nfs/dbraw/zinc/02/40/21/384024021.db2.gz SLNCZWSGCJGDRR-INIZCTEOSA-N 0 1 293.370 2.854 20 30 CFEDMN C=CCN1CC[C@H](N(C)Cc2cccc(C)c2C)C1=O ZINC000281098090 195102601 /nfs/dbraw/zinc/10/26/01/195102601.db2.gz AFNWSKHJBPLVFG-INIZCTEOSA-N 0 1 272.392 2.522 20 30 CFEDMN OC[C@@]1(NCC#Cc2ccccc2)CCCc2ccccc21 ZINC000440457865 384083757 /nfs/dbraw/zinc/08/37/57/384083757.db2.gz AKSXXZCWADCFET-FQEVSTJZSA-N 0 1 291.394 2.852 20 30 CFEDMN CC1(C#N)CCN(C[C@H]2CN(c3ccccc3)CCO2)CC1 ZINC000574924555 384165670 /nfs/dbraw/zinc/16/56/70/384165670.db2.gz WDGOKKDBEZAPKP-KRWDZBQOSA-N 0 1 299.418 2.517 20 30 CFEDMN CC#CC[C@@H](CO)NCc1cccc(Cl)c1Cl ZINC000641769670 384336533 /nfs/dbraw/zinc/33/65/33/384336533.db2.gz XTSNOQOJLNEYDM-NSHDSACASA-N 0 1 272.175 2.857 20 30 CFEDMN CC[C@@H](C)c1nc([C@@H](C)NCc2ccc(C#N)o2)n[nH]1 ZINC000277542231 384331518 /nfs/dbraw/zinc/33/15/18/384331518.db2.gz ZIOFIGMHMIGGCR-NXEZZACHSA-N 0 1 273.340 2.634 20 30 CFEDMN CC[C@H](C)c1nc([C@H](C)NCc2ccc(C#N)o2)n[nH]1 ZINC000277542234 384331753 /nfs/dbraw/zinc/33/17/53/384331753.db2.gz ZIOFIGMHMIGGCR-UWVGGRQHSA-N 0 1 273.340 2.634 20 30 CFEDMN CC#CC[C@@H](CO)NCc1cnc(C2CCCC2)s1 ZINC000641766737 384332516 /nfs/dbraw/zinc/33/25/16/384332516.db2.gz AYDPBNBFHYXLAR-ZDUSSCGKSA-N 0 1 278.421 2.665 20 30 CFEDMN CC1(C)CN(Cc2ccc(C#N)cc2)[C@@H]1[C@@H]1CCCO1 ZINC000289369561 197314925 /nfs/dbraw/zinc/31/49/25/197314925.db2.gz AQNBOEMXKZKSBU-JKSUJKDBSA-N 0 1 270.376 2.948 20 30 CFEDMN C#C[C@H](C)NCc1c(C)nn(-c2ccc(F)cc2F)c1C ZINC000289359567 197311162 /nfs/dbraw/zinc/31/11/62/197311162.db2.gz KFLLJTHZSIEONI-JTQLQIEISA-N 0 1 289.329 2.879 20 30 CFEDMN C=CC[C@@H]1N(C(=O)c2cc(C)[nH]n2)CCCC1(C)C ZINC000278415554 384564573 /nfs/dbraw/zinc/56/45/73/384564573.db2.gz MJRBHJYAXCGFLQ-ZDUSSCGKSA-N 0 1 261.369 2.925 20 30 CFEDMN Cc1n[nH]c([C@H]2CCCN(Cc3cc(F)ccc3C#N)C2)n1 ZINC000268451016 384622351 /nfs/dbraw/zinc/62/23/51/384622351.db2.gz IRCPEDIOASIMOY-ZDUSSCGKSA-N 0 1 299.353 2.504 20 30 CFEDMN Cc1nnc([C@H]2CCCN(Cc3cc(F)ccc3C#N)C2)[nH]1 ZINC000268451016 384622364 /nfs/dbraw/zinc/62/23/64/384622364.db2.gz IRCPEDIOASIMOY-ZDUSSCGKSA-N 0 1 299.353 2.504 20 30 CFEDMN C=CC[C@@H]1CCCN(C(=O)[C@@H](N)c2cccc(OC)c2)C1 ZINC000638409909 384632126 /nfs/dbraw/zinc/63/21/26/384632126.db2.gz SNEIXLJTLYBSIK-CJNGLKHVSA-N 0 1 288.391 2.510 20 30 CFEDMN C=CCCC(=O)N(C)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000268609353 384638098 /nfs/dbraw/zinc/63/80/98/384638098.db2.gz WEXDHUXUIOHVEL-INIZCTEOSA-N 0 1 272.392 2.686 20 30 CFEDMN C[N@@H+](CCc1ccc(F)cc1)C[C@H](O)c1ccc(C#N)cc1 ZINC000268634606 384642326 /nfs/dbraw/zinc/64/23/26/384642326.db2.gz QWLZWDDNGVVQNZ-SFHVURJKSA-N 0 1 298.361 2.905 20 30 CFEDMN C=C(Cl)CN(C)C1CCN(C(=O)c2ccccc2)CC1 ZINC000269629792 384811269 /nfs/dbraw/zinc/81/12/69/384811269.db2.gz KXGPVKJGYZTPQS-UHFFFAOYSA-N 0 1 292.810 2.976 20 30 CFEDMN C=C(CNCc1cnc([C@@H](C)O)s1)c1ccccc1 ZINC000289241765 197271955 /nfs/dbraw/zinc/27/19/55/197271955.db2.gz LETQDYJJFOBTRQ-GFCCVEGCSA-N 0 1 274.389 2.999 20 30 CFEDMN C[C@@H](NC(=O)[C@H](C)NC(=O)C1CCCCC1)c1nnc[nH]1 ZINC000329253799 533107367 /nfs/dbraw/zinc/10/73/67/533107367.db2.gz WKFAVYHXIRPIAK-ZJUUUORDSA-N 0 1 293.371 2.748 20 30 CFEDMN C#CCN1CCC(c2nc(-c3cc(CC)ccn3)no2)CC1 ZINC000280836794 385174232 /nfs/dbraw/zinc/17/42/32/385174232.db2.gz LOMQSGSQACCGRJ-UHFFFAOYSA-N 0 1 296.374 2.507 20 30 CFEDMN C=CCOCCNCc1conc1Cc1ccccc1 ZINC000645171506 385223937 /nfs/dbraw/zinc/22/39/37/385223937.db2.gz DIMLHSWUQVWDPQ-UHFFFAOYSA-N 0 1 272.348 2.558 20 30 CFEDMN C=C[C@H]1CCCCN1Cc1c2c(nn1C)CCCC2 ZINC000639110798 385203689 /nfs/dbraw/zinc/20/36/89/385203689.db2.gz CDBDVWDFFAPLNT-ZDUSSCGKSA-N 0 1 259.397 2.839 20 30 CFEDMN C#CCCCN1CCN(C(=O)c2cccc(Cl)c2)CC1 ZINC000271038763 385316018 /nfs/dbraw/zinc/31/60/18/385316018.db2.gz MLKYCZWKEQSXOH-UHFFFAOYSA-N 0 1 290.794 2.511 20 30 CFEDMN C#CCN(CC)Cc1ccc(OC)c(OCCCC#N)c1 ZINC000271164449 385358963 /nfs/dbraw/zinc/35/89/63/385358963.db2.gz YVXSNEUGZUZFJP-UHFFFAOYSA-N 0 1 286.375 2.833 20 30 CFEDMN C#CCN(Cc1ccc(-c2cnn(C)c2)s1)C1CC1 ZINC000282834662 385396506 /nfs/dbraw/zinc/39/65/06/385396506.db2.gz QYDIKZFZNWGFOZ-UHFFFAOYSA-N 0 1 271.389 2.746 20 30 CFEDMN C[C@H](N[C@@H](C)c1ccc(C#N)c(F)c1)c1cnn(C)c1 ZINC000271941323 385406966 /nfs/dbraw/zinc/40/69/66/385406966.db2.gz LYDGARPSXSHKOJ-QWRGUYRKSA-N 0 1 272.327 2.843 20 30 CFEDMN CCC[C@@]1(CO)CCN(Cc2cc(C#N)ccc2F)C1 ZINC000288905194 197189834 /nfs/dbraw/zinc/18/98/34/197189834.db2.gz SXBGLEYQVPGQPP-MRXNPFEDSA-N 0 1 276.355 2.682 20 30 CFEDMN CC[N@@H+](Cc1ccc(OC)nn1)[C@H](C)c1ccc(C#N)cc1 ZINC000283614218 385480297 /nfs/dbraw/zinc/48/02/97/385480297.db2.gz RERWWCJQNKASQE-CYBMUJFWSA-N 0 1 296.374 2.940 20 30 CFEDMN CCN(Cc1ccc(OC)nn1)[C@H](C)c1ccc(C#N)cc1 ZINC000283614218 385480299 /nfs/dbraw/zinc/48/02/99/385480299.db2.gz RERWWCJQNKASQE-CYBMUJFWSA-N 0 1 296.374 2.940 20 30 CFEDMN CC(=O)c1ccc(C#N)c(NCCN2CCC(C)CC2)c1 ZINC000272470113 385544686 /nfs/dbraw/zinc/54/46/86/385544686.db2.gz IDMIYSRWZBTUHR-UHFFFAOYSA-N 0 1 285.391 2.905 20 30 CFEDMN CC(=O)c1ccc(C#N)c(N2CCN(C3CCCC3)CC2)c1 ZINC000272541653 385561472 /nfs/dbraw/zinc/56/14/72/385561472.db2.gz QCUORUPINOCKLT-UHFFFAOYSA-N 0 1 297.402 2.825 20 30 CFEDMN C=CCS(=O)(=O)CCN[C@@H](C)c1ccc(Cl)cc1 ZINC000272800334 385619053 /nfs/dbraw/zinc/61/90/53/385619053.db2.gz BEHJBVCEIOSUEQ-NSHDSACASA-N 0 1 287.812 2.591 20 30 CFEDMN C=CCS(=O)(=O)CCN[C@H](C)c1ccc(SC)cc1 ZINC000272818255 385624646 /nfs/dbraw/zinc/62/46/46/385624646.db2.gz FIQPIKHSECWMSV-GFCCVEGCSA-N 0 1 299.461 2.660 20 30 CFEDMN N#Cc1cc(CN2CCC(CCCO)CC2)ccc1F ZINC000272890355 385643151 /nfs/dbraw/zinc/64/31/51/385643151.db2.gz DRXXRCSTMQEAQW-UHFFFAOYSA-N 0 1 276.355 2.682 20 30 CFEDMN C#CC[C@@H](NCc1c(C)cnn1C)c1ccccc1 ZINC000286574576 385653817 /nfs/dbraw/zinc/65/38/17/385653817.db2.gz PVJXKBSYAWVGQF-OAHLLOKOSA-N 0 1 253.349 2.583 20 30 CFEDMN C#CCN(Cc1cc2ccccc2[nH]c1=O)C1CC1 ZINC000274098319 385718367 /nfs/dbraw/zinc/71/83/67/385718367.db2.gz JIEJEPNYEJBXLE-UHFFFAOYSA-N 0 1 252.317 2.538 20 30 CFEDMN C=CCCCCNC(=O)c1n[nH]c2ccc([N+](=O)[O-])cc21 ZINC000274693745 385851285 /nfs/dbraw/zinc/85/12/85/385851285.db2.gz MDFIGGJFKCZYGO-UHFFFAOYSA-N 0 1 288.307 2.557 20 30 CFEDMN C=C(C)CC[N@H+]1CCCN(C(=O)c2ccc(F)cc2)CC1 ZINC000274754487 385864263 /nfs/dbraw/zinc/86/42/63/385864263.db2.gz IIHGBASGPPGLTF-UHFFFAOYSA-N 0 1 290.382 2.940 20 30 CFEDMN Cn1cc(CN2CCC(OC(C)(C)C)CC2)cc1C#N ZINC000276752296 386035228 /nfs/dbraw/zinc/03/52/28/386035228.db2.gz LJGIKZNMNYTGED-UHFFFAOYSA-N 0 1 275.396 2.676 20 30 CFEDMN C=C[C@](C)(CC)C(=O)NOCc1ccc(F)cc1 ZINC000276933701 386083596 /nfs/dbraw/zinc/08/35/96/386083596.db2.gz OOSXOVQGFIZTPF-CQSZACIVSA-N 0 1 251.301 2.976 20 30 CFEDMN CC(C)Oc1ccccc1CNCc1cc(C#N)n(C)c1 ZINC000276972973 386096044 /nfs/dbraw/zinc/09/60/44/386096044.db2.gz QFMITONKCPNGGP-UHFFFAOYSA-N 0 1 283.375 2.974 20 30 CFEDMN N#C[C@H]1CC[C@H](NCc2nccn2CCc2ccccc2)C1 ZINC000574870241 335053593 /nfs/dbraw/zinc/05/35/93/335053593.db2.gz MFUZAWMEYWLCEX-IRXDYDNUSA-N 0 1 294.402 2.908 20 30 CFEDMN C=CCN1CC[C@@H](N(C)Cc2ccc(C)c(C)c2)C1=O ZINC000281291941 195184263 /nfs/dbraw/zinc/18/42/63/195184263.db2.gz PEPYFMFQBQLSKM-MRXNPFEDSA-N 0 1 272.392 2.522 20 30 CFEDMN C=CCN1CC[C@H](N(C)Cc2ccc(Cl)cc2)C1=O ZINC000281313437 195192094 /nfs/dbraw/zinc/19/20/94/195192094.db2.gz QPSBMCRKNZJFGW-AWEZNQCLSA-N 0 1 278.783 2.559 20 30 CFEDMN CC[C@@H]1CN(Cc2ccc(C#N)s2)CCCO1 ZINC000281344782 195204126 /nfs/dbraw/zinc/20/41/26/195204126.db2.gz SYIDNDYDSKMDRN-LLVKDONJSA-N 0 1 250.367 2.621 20 30 CFEDMN C=CC[C@H](C(=O)N1CCN(CC)[C@H](C)C1)c1ccccc1 ZINC000681738131 542483283 /nfs/dbraw/zinc/48/32/83/542483283.db2.gz GEYVQNLPTDGOIP-WBVHZDCISA-N 0 1 286.419 2.899 20 30 CFEDMN C=CC[C@@H](CO)N[C@H](C)c1nc2c(s1)CCCC2 ZINC000186713151 260008730 /nfs/dbraw/zinc/00/87/30/260008730.db2.gz RDSKAWDEZIHVOF-MNOVXSKESA-N 0 1 266.410 2.610 20 30 CFEDMN C=C(CC)CN1CCC[C@](OC)(C(F)(F)F)C1 ZINC000682039076 542509813 /nfs/dbraw/zinc/50/98/13/542509813.db2.gz FYLYSMNFPXEVGE-LLVKDONJSA-N 0 1 251.292 2.996 20 30 CFEDMN C[C@@H](C(=O)NC1(C#N)CCC1)N1CC(C)(C)CC(C)(C)C1 ZINC000346570992 533237019 /nfs/dbraw/zinc/23/70/19/533237019.db2.gz QNFFRHWPIPZVLN-ZDUSSCGKSA-N 0 1 291.439 2.695 20 30 CFEDMN Cc1[nH]c2ccccc2c1C(=O)C(C#N)c1ccncn1 ZINC000354462162 533625858 /nfs/dbraw/zinc/62/58/58/533625858.db2.gz HIFGBFABKNBZDW-GFCCVEGCSA-N 0 1 276.299 2.756 20 30 CFEDMN C=CCC[C@H](O)C[N@H+]1CCC[C@@H]1c1nccs1 ZINC000370504494 260066408 /nfs/dbraw/zinc/06/64/08/260066408.db2.gz IRBYCZNBMXKFHQ-NWDGAFQWSA-N 0 1 252.383 2.607 20 30 CFEDMN C=CCC[C@H](O)CN1CCC[C@@H]1c1nccs1 ZINC000370504494 260066409 /nfs/dbraw/zinc/06/64/09/260066409.db2.gz IRBYCZNBMXKFHQ-NWDGAFQWSA-N 0 1 252.383 2.607 20 30 CFEDMN CCCCCCCC(=O)N1CCC[C@H](c2nc[nH]n2)C1 ZINC000374044210 393479726 /nfs/dbraw/zinc/47/97/26/393479726.db2.gz QSUKGEKSJZIALS-ZDUSSCGKSA-N 0 1 278.400 2.871 20 30 CFEDMN C=C(Br)CN[C@H]1c2ccccc2CC[C@H]1CO ZINC000373805282 393473140 /nfs/dbraw/zinc/47/31/40/393473140.db2.gz CCMXPQBPQCUNCV-GXTWGEPZSA-N 0 1 296.208 2.781 20 30 CFEDMN C=C(C)COc1cc(CN2CCCOCC2)ccc1OC ZINC000374303643 393492641 /nfs/dbraw/zinc/49/26/41/393492641.db2.gz WIBMHUPYNVHDAZ-UHFFFAOYSA-N 0 1 291.391 2.872 20 30 CFEDMN CCCCCN1C[C@H](C#N)[C@]2(C1)c1ccccc1NC2=O ZINC000374354466 393493443 /nfs/dbraw/zinc/49/34/43/393493443.db2.gz UIXGODPAHHUHIE-SUMWQHHRSA-N 0 1 283.375 2.522 20 30 CFEDMN C=CCC(CC=C)C(=O)N[C@H]1CCCc2cn[nH]c21 ZINC000374453249 393497199 /nfs/dbraw/zinc/49/71/99/393497199.db2.gz RRBATPFNTFJYLK-ZDUSSCGKSA-N 0 1 259.353 2.672 20 30 CFEDMN COC[C@H]1CCCCN1Cc1cccc(C#N)c1F ZINC000307766234 393514734 /nfs/dbraw/zinc/51/47/34/393514734.db2.gz RGKLYUCJEBWMTB-CQSZACIVSA-N 0 1 262.328 2.698 20 30 CFEDMN CC(C)N1CCN(c2c(C#N)cnc3ccccc32)CC1 ZINC000036913359 393525437 /nfs/dbraw/zinc/52/54/37/393525437.db2.gz IHXWAFJKCMNIOA-UHFFFAOYSA-N 0 1 280.375 2.637 20 30 CFEDMN CCC(CC)NC(=O)[C@H](C)N[C@@H](C)c1ccc(C#N)cc1 ZINC000037502326 393532570 /nfs/dbraw/zinc/53/25/70/393532570.db2.gz MPINALICWWGYLZ-STQMWFEESA-N 0 1 287.407 2.902 20 30 CFEDMN C=C(C)CN(Cc1ccccc1)C(=O)[C@H](C)N(C)C ZINC000684332951 542789176 /nfs/dbraw/zinc/78/91/76/542789176.db2.gz DCHQWMVWSQIZPT-AWEZNQCLSA-N 0 1 260.381 2.541 20 30 CFEDMN N#C[C@H]1CC[C@H](N2CCCN(C(=O)c3ccccc3)CC2)C1 ZINC000334239536 393584336 /nfs/dbraw/zinc/58/43/36/393584336.db2.gz URUFNYJKRCSCAS-RDJZCZTQSA-N 0 1 297.402 2.527 20 30 CFEDMN C=CC[N@@H+](C)CCN(CC)C[C@@H](OC)c1ccccc1 ZINC000411646985 393734994 /nfs/dbraw/zinc/73/49/94/393734994.db2.gz NGXWVZHTFPAKCE-QGZVFWFLSA-N 0 1 276.424 2.814 20 30 CFEDMN C=C(C)CN(CCc1cncs1)Cc1ccc(CO)o1 ZINC000411719156 393741242 /nfs/dbraw/zinc/74/12/42/393741242.db2.gz MTDPCDSCQSDKML-UHFFFAOYSA-N 0 1 292.404 2.849 20 30 CFEDMN C=C[C@@H]1CCCCN1C(=O)c1ccc(-c2nnc[nH]2)cc1 ZINC000335682991 393689372 /nfs/dbraw/zinc/68/93/72/393689372.db2.gz NVIBWXBCTMJDSV-CQSZACIVSA-N 0 1 282.347 2.652 20 30 CFEDMN C[C@H]1CN(C[C@@H](C#N)CCC#N)CCN1Cc1ccccc1 ZINC000411978767 393759445 /nfs/dbraw/zinc/75/94/45/393759445.db2.gz BVQPHIDVYIGCQN-FUHWJXTLSA-N 0 1 296.418 2.636 20 30 CFEDMN COc1ccc(CN2C[C@@H](C)S[C@H](C)C2)cc1C#N ZINC000087833433 393760349 /nfs/dbraw/zinc/76/03/49/393760349.db2.gz QUWMNVZRRVAVJL-VXGBXAGGSA-N 0 1 276.405 2.893 20 30 CFEDMN C[C@H]1CN(C)CCN1c1ccc(C(F)(F)F)c(C#N)c1 ZINC000227537932 393772867 /nfs/dbraw/zinc/77/28/67/393772867.db2.gz HCJDNECKNPUKCC-JTQLQIEISA-N 0 1 283.297 2.717 20 30 CFEDMN C=CC[C@H](Cc1ccccc1)NC(=O)Cc1cc(C)n[nH]1 ZINC000412843322 393775052 /nfs/dbraw/zinc/77/50/52/393775052.db2.gz RYWXRAPJGVQLJR-OAHLLOKOSA-N 0 1 283.375 2.564 20 30 CFEDMN C[C@@H]1[C@H](C)OCCN1Cc1ccc(N(C)CCC#N)cc1 ZINC000093418402 393799005 /nfs/dbraw/zinc/79/90/05/393799005.db2.gz PSFXBOCPLBVBIP-CABCVRRESA-N 0 1 287.407 2.646 20 30 CFEDMN C=CCOCCN(CCC)[C@H](C)C(=O)Nc1ccccc1 ZINC000339028837 393810959 /nfs/dbraw/zinc/81/09/59/393810959.db2.gz GRQXYLQKGYMKEQ-OAHLLOKOSA-N 0 1 290.407 2.928 20 30 CFEDMN CCOC(=O)[C@@H]1CN([C@H]2CC[C@H](C#N)C2)Cc2ccccc21 ZINC000339042882 393812291 /nfs/dbraw/zinc/81/22/91/393812291.db2.gz CIRJQHXUZNSJMJ-JLJPHGGASA-N 0 1 298.386 2.841 20 30 CFEDMN COc1ccc2c(c1OC)CCN([C@H]1CC[C@H](C#N)C1)C2 ZINC000339056426 393813972 /nfs/dbraw/zinc/81/39/72/393813972.db2.gz LHDRNPCSUKYMDT-JSGCOSHPSA-N 0 1 286.375 2.754 20 30 CFEDMN CCC[C@H](N[C@@H]1CC[C@@H](C#N)C1)c1nnc2ccccn21 ZINC000339084476 393816915 /nfs/dbraw/zinc/81/69/15/393816915.db2.gz XNSJMJOOEUTSKG-MCIONIFRSA-N 0 1 283.379 2.852 20 30 CFEDMN N#C[C@@H]1CC[C@@H](N2CCO[C@H](C3CCCCC3)C2)C1 ZINC000339089142 393818146 /nfs/dbraw/zinc/81/81/46/393818146.db2.gz LTVZZHLSFIZZOS-BMFZPTHFSA-N 0 1 262.397 2.960 20 30 CFEDMN N#CCCOCCN1CCC(c2ncccc2Cl)CC1 ZINC000339125019 393819033 /nfs/dbraw/zinc/81/90/33/393819033.db2.gz MMKOMXIZLRUHIV-UHFFFAOYSA-N 0 1 293.798 2.845 20 30 CFEDMN C=C(C)C[C@@H](C)C(=O)NCCN(CC)CCC(F)(F)F ZINC000427201173 393892481 /nfs/dbraw/zinc/89/24/81/393892481.db2.gz XSRDCYJDNIBMFA-GFCCVEGCSA-N 0 1 294.361 2.979 20 30 CFEDMN C[C@H]1C[C@H](CO)CCN1CC#Cc1ccc(Cl)cc1 ZINC000344131546 393895701 /nfs/dbraw/zinc/89/57/01/393895701.db2.gz NRBADQQWFVXJDH-DZGCQCFKSA-N 0 1 277.795 2.784 20 30 CFEDMN N#Cc1c(F)cccc1CN1CC[C@@]2(C1)CCCOC2 ZINC000428980630 393929328 /nfs/dbraw/zinc/92/93/28/393929328.db2.gz WECOASTUXIQDGP-MRXNPFEDSA-N 0 1 274.339 2.700 20 30 CFEDMN C=CCCCN(C)[C@@H](C)C(=O)Nc1oc(C)c(C)c1C#N ZINC000121156963 393950809 /nfs/dbraw/zinc/95/08/09/393950809.db2.gz GYGPWMMKGOFYTM-LBPRGKRZSA-N 0 1 289.379 2.993 20 30 CFEDMN C=CCNC(=O)CN(C1CC1)[C@H]1CCCc2ccccc21 ZINC000120963172 393944980 /nfs/dbraw/zinc/94/49/80/393944980.db2.gz ATEQHZWNMMAHGV-KRWDZBQOSA-N 0 1 284.403 2.831 20 30 CFEDMN C=CCCCN(C)CC(=O)N1CCC(c2ccccc2)=N1 ZINC000121113697 393948881 /nfs/dbraw/zinc/94/88/81/393948881.db2.gz BJSBNNBJWFHASW-UHFFFAOYSA-N 0 1 285.391 2.521 20 30 CFEDMN C=C(C)COCCN[C@@H](c1ccccc1)c1cncnc1 ZINC000349532394 393971214 /nfs/dbraw/zinc/97/12/14/393971214.db2.gz CIRUEFHDEVJQRO-KRWDZBQOSA-N 0 1 283.375 2.748 20 30 CFEDMN C#CCN(Cc1cccc(O)c1OC)C1CCCC1 ZINC000490949687 394045000 /nfs/dbraw/zinc/04/50/00/394045000.db2.gz LRCVDKNJWHIFOZ-UHFFFAOYSA-N 0 1 259.349 2.779 20 30 CFEDMN C#C[C@H](CC)NCc1cn(C)nc1C1CCCCC1 ZINC000491536122 394052752 /nfs/dbraw/zinc/05/27/52/394052752.db2.gz HXBYIXDKHKSWIY-OAHLLOKOSA-N 0 1 259.397 2.969 20 30 CFEDMN CN(Cc1ccc(C#N)cc1OC(F)F)C1CC1 ZINC000437399959 394055424 /nfs/dbraw/zinc/05/54/24/394055424.db2.gz GFMCUHSWGZLWTN-UHFFFAOYSA-N 0 1 252.264 2.754 20 30 CFEDMN CO[C@]1(C)CCCN(CC#Cc2ccc(F)cc2)C1 ZINC000279216625 394066152 /nfs/dbraw/zinc/06/61/52/394066152.db2.gz CJWQSCJXZZZTAP-MRXNPFEDSA-N 0 1 261.340 2.678 20 30 CFEDMN C=CCN1CC[C@@H](N(CCC)Cc2ccc(C#N)cc2)C1=O ZINC000282001466 394108184 /nfs/dbraw/zinc/10/81/84/394108184.db2.gz NNXJUIGWZIDVAC-QGZVFWFLSA-N 0 1 297.402 2.557 20 30 CFEDMN C=CCN1CC[C@H](N2CC[C@H](C)C[C@@H]2c2ccco2)C1=O ZINC000282011358 394110083 /nfs/dbraw/zinc/11/00/83/394110083.db2.gz OLSUPHGSPMBZCA-SOUVJXGZSA-N 0 1 288.391 2.840 20 30 CFEDMN CC(C)N(Cc1ccc(C#N)cc1Cl)C[C@H](C)O ZINC000439429141 394114553 /nfs/dbraw/zinc/11/45/53/394114553.db2.gz DWLJWRZUALSWMC-NSHDSACASA-N 0 1 266.772 2.803 20 30 CFEDMN N#Cc1ccc([C@H](N[C@@H]2C[C@@H]2C2CCCCC2)C(N)=O)cc1 ZINC000439623452 394124630 /nfs/dbraw/zinc/12/46/30/394124630.db2.gz JKXXDRFKBTXAEZ-ZACQAIPSSA-N 0 1 297.402 2.643 20 30 CFEDMN Cc1nc(N2CCN(C)[C@H](C(C)C)C2)c(Cl)cc1C#N ZINC000360067780 394145557 /nfs/dbraw/zinc/14/55/57/394145557.db2.gz YIEKSNAMYZCGIU-AWEZNQCLSA-N 0 1 292.814 2.692 20 30 CFEDMN C=CCOc1ccccc1CN1CCC(F)(F)[C@@H](CO)C1 ZINC000361077242 394164755 /nfs/dbraw/zinc/16/47/55/394164755.db2.gz GRHUQRHUWUHYGV-CQSZACIVSA-N 0 1 297.345 2.701 20 30 CFEDMN Cc1ccc(N[C@H]2CN(C)Cc3ccccc32)nc1C#N ZINC000364988966 394225556 /nfs/dbraw/zinc/22/55/56/394225556.db2.gz YNMHRZPCNABERO-INIZCTEOSA-N 0 1 278.359 2.860 20 30 CFEDMN C[C@@H](CNc1cc(C#N)ccn1)N1CCc2sccc2C1 ZINC000286063325 394186123 /nfs/dbraw/zinc/18/61/23/394186123.db2.gz IPIJXQJMVXHPOH-LBPRGKRZSA-N 0 1 298.415 2.873 20 30 CFEDMN C=CCC1(C(=O)N2C[C@@H](C)N(CC)C[C@H]2C)CCC1 ZINC000362492953 394186113 /nfs/dbraw/zinc/18/61/13/394186113.db2.gz QTAUNWDJLAQDGK-ZIAGYGMSSA-N 0 1 264.413 2.674 20 30 CFEDMN CC[C@H]1CN(CC)CCN1C(=O)/C=C\c1ccc(C#N)cc1 ZINC000493533612 394271838 /nfs/dbraw/zinc/27/18/38/394271838.db2.gz XGYLGMZONJQRAH-IBSYWUHOSA-N 0 1 297.402 2.514 20 30 CFEDMN N#Cc1cccc(N2CCC(c3ccn[nH]3)CC2)c1[N+](=O)[O-] ZINC000450297031 394289365 /nfs/dbraw/zinc/28/93/65/394289365.db2.gz HVTLEKJVRVDWFN-UHFFFAOYSA-N 0 1 297.318 2.574 20 30 CFEDMN CC[C@@H]1CN(CC)CCN1C(=O)/C=C/c1cccc(C#N)c1 ZINC000493661413 394303341 /nfs/dbraw/zinc/30/33/41/394303341.db2.gz OEBDQJSVWBEBOM-KBOKABMXSA-N 0 1 297.402 2.514 20 30 CFEDMN CC#CCC[NH+]1CCC(C(=O)c2ccc([O-])cc2)CC1 ZINC000156522889 394335231 /nfs/dbraw/zinc/33/52/31/394335231.db2.gz SJNOGTDOVSNBQH-UHFFFAOYSA-N 0 1 271.360 2.700 20 30 CFEDMN CC[C@@H](C)N1CCN(c2ncc(Cl)c(C)c2C#N)CC1 ZINC000450855442 394342322 /nfs/dbraw/zinc/34/23/22/394342322.db2.gz GFYAWMZHXAVKFY-LLVKDONJSA-N 0 1 292.814 2.836 20 30 CFEDMN Cc1cc(CN[C@@](C)(CO)c2cccc(O)c2)ccc1C#N ZINC000451041581 394349698 /nfs/dbraw/zinc/34/96/98/394349698.db2.gz NVXDJIOSHQBKJY-SFHVURJKSA-N 0 1 296.370 2.570 20 30 CFEDMN C=C(C)CN(CC)[C@H](C(=O)N(C)C)c1ccccc1 ZINC000170695255 394371620 /nfs/dbraw/zinc/37/16/20/394371620.db2.gz WNMHRRBBFRBQCB-HNNXBMFYSA-N 0 1 260.381 2.714 20 30 CFEDMN CC(C)N1CC[C@@H](Nc2ncc(C#N)cc2Cl)C1 ZINC000172150512 394372694 /nfs/dbraw/zinc/37/26/94/394372694.db2.gz RNOGRVVZIUFXKC-LLVKDONJSA-N 0 1 264.760 2.501 20 30 CFEDMN C[C@@H]1[C@@H](C)CCN1CC(=O)N(CCC#N)c1ccccc1 ZINC000177884746 394385326 /nfs/dbraw/zinc/38/53/26/394385326.db2.gz UBXVFHNYEZDSQX-LSDHHAIUSA-N 0 1 285.391 2.664 20 30 CFEDMN CC[C@@H]1CCCN(Cc2cccc(C(=O)OC)c2C#N)C1 ZINC000535221447 394533360 /nfs/dbraw/zinc/53/33/60/394533360.db2.gz TXXXWIQAWUTXSE-CYBMUJFWSA-N 0 1 286.375 2.967 20 30 CFEDMN CN1Cc2ccccc2[C@H](NCc2cc(C#N)cs2)C1 ZINC000536023066 394551780 /nfs/dbraw/zinc/55/17/80/394551780.db2.gz KWOBJRXMOSNKGC-MRXNPFEDSA-N 0 1 283.400 2.896 20 30 CFEDMN CCCN(Cc1cccc(C(=O)OC)c1C#N)C1CC1 ZINC000539423707 394626263 /nfs/dbraw/zinc/62/62/63/394626263.db2.gz HQMGVZBVDWRPKU-UHFFFAOYSA-N 0 1 272.348 2.719 20 30 CFEDMN C[C@](O)(CN[C@@H](CCC#N)c1ccccc1)C(F)(F)F ZINC000564723175 395081715 /nfs/dbraw/zinc/08/17/15/395081715.db2.gz HHKRPGIDLRAPGR-STQMWFEESA-N 0 1 286.297 2.934 20 30 CFEDMN C=CCOCCN[C@@H]1CCc2cc(F)c(F)c(F)c21 ZINC000648509891 395178280 /nfs/dbraw/zinc/17/82/80/395178280.db2.gz HSBLRVNLVPOPMC-LLVKDONJSA-N 0 1 271.282 2.883 20 30 CFEDMN C=CCOc1ccc(CN2CC[C@@H](O)[C@H]2C)cc1Cl ZINC000648800679 395318465 /nfs/dbraw/zinc/31/84/65/395318465.db2.gz NKWITSBTKSYGAV-BXUZGUMPSA-N 0 1 281.783 2.860 20 30 CFEDMN C=C(C)CN(C)C(=O)NC[C@H](c1ccco1)N1CCCC1 ZINC000182106738 543027607 /nfs/dbraw/zinc/02/76/07/543027607.db2.gz XJNSSZBKBCVMAY-CQSZACIVSA-N 0 1 291.395 2.634 20 30 CFEDMN OC1(C2CCN(CC#Cc3cccc(Cl)c3)CC2)CC1 ZINC000649671090 395549613 /nfs/dbraw/zinc/54/96/13/395549613.db2.gz IQFWLOWMVDOTMI-UHFFFAOYSA-N 0 1 289.806 2.928 20 30 CFEDMN C=CCCOCCCCC(=O)N1[C@H](C)CN(C)[C@H](C)[C@@H]1C ZINC000650152976 395617274 /nfs/dbraw/zinc/61/72/74/395617274.db2.gz MXTHXMFXDRPBSH-OAGGEKHMSA-N 0 1 296.455 2.689 20 30 CFEDMN C=CCCOCCCCC(=O)N1[C@H](C)CN(C)[C@@H](C)[C@H]1C ZINC000650152977 395617287 /nfs/dbraw/zinc/61/72/87/395617287.db2.gz MXTHXMFXDRPBSH-OWCLPIDISA-N 0 1 296.455 2.689 20 30 CFEDMN CCCc1cc(C(=O)C(C#N)c2nc3ccccc3[nH]2)n[nH]1 ZINC000047359390 397585254 /nfs/dbraw/zinc/58/52/54/397585254.db2.gz SZBHYYYKJXCSKJ-LLVKDONJSA-N 0 1 293.330 2.729 20 30 CFEDMN CCCc1cc(C(=O)[C@@H](C#N)c2nc3ccccc3[nH]2)n[nH]1 ZINC000047359390 397585256 /nfs/dbraw/zinc/58/52/56/397585256.db2.gz SZBHYYYKJXCSKJ-LLVKDONJSA-N 0 1 293.330 2.729 20 30 CFEDMN C=C(C)CN(C)CC(=O)N[C@H](C)CCCC(C)C ZINC000181288598 397609507 /nfs/dbraw/zinc/60/95/07/397609507.db2.gz QPKFASJBBDYEKR-CQSZACIVSA-N 0 1 254.418 2.825 20 30 CFEDMN C=C(CC)C[N@H+]1CC[C@H](C(=O)[O-])[C@H]2CCCC[C@H]21 ZINC000656768688 413201641 /nfs/dbraw/zinc/20/16/41/413201641.db2.gz WIHSYYRZVUSGFS-HZSPNIEDSA-N 0 1 251.370 2.918 20 30 CFEDMN N#Cc1ccc(CN2CCC[C@H]2CO)c(C(F)(F)F)c1 ZINC000356056419 155150998 /nfs/dbraw/zinc/15/09/98/155150998.db2.gz MKEIPBAFMXLMBV-LBPRGKRZSA-N 0 1 284.281 2.534 20 30 CFEDMN C=C(C)[C@@H](NC[C@H](COC)OC)c1ccc(F)c(F)c1 ZINC000660312069 413237797 /nfs/dbraw/zinc/23/77/97/413237797.db2.gz NYCGWQYMVMNZQE-IUODEOHRSA-N 0 1 285.334 2.833 20 30 CFEDMN C[C@@H]1CN(Cc2ccc(C#N)cc2C(F)(F)F)C[C@H]1CO ZINC000356400332 155254734 /nfs/dbraw/zinc/25/47/34/155254734.db2.gz UVAFJEPTBSPEOV-MFKMUULPSA-N 0 1 298.308 2.637 20 30 CFEDMN N#Cc1nc(NCCc2ccc3cn[nH]c3c2)ccc1Cl ZINC000343059786 154099689 /nfs/dbraw/zinc/09/96/89/154099689.db2.gz ICKCOFJFXZXMOT-UHFFFAOYSA-N 0 1 297.749 2.559 20 30 CFEDMN C[C@@H](CNCc1cc(C#N)cs1)[N@@H+]1CCCC[C@@H]1C ZINC000343275333 154164684 /nfs/dbraw/zinc/16/46/84/154164684.db2.gz HMXNZUUVUZMXON-STQMWFEESA-N 0 1 277.437 2.972 20 30 CFEDMN Cc1cc(CN2C[C@H](C)O[C@@H](C3CC3)C2)ccc1C#N ZINC000348203950 154362149 /nfs/dbraw/zinc/36/21/49/154362149.db2.gz CRACQJHSQJEARD-SUMWQHHRSA-N 0 1 270.376 2.866 20 30 CFEDMN N#Cc1ccc(F)c(CN2CCCO[C@@H]3CCC[C@H]32)c1 ZINC000367163199 156291338 /nfs/dbraw/zinc/29/13/38/156291338.db2.gz JEMOEYLLTHYUMW-HZPDHXFCSA-N 0 1 274.339 2.841 20 30 CFEDMN CO[C@@H]1CCC[C@H]1NCc1ncc(-c2ccc(C#N)cc2)o1 ZINC000367567067 156351193 /nfs/dbraw/zinc/35/11/93/156351193.db2.gz UBEMAZRPOPOSET-HUUCEWRRSA-N 0 1 297.358 2.870 20 30 CFEDMN CO[C@H]1CCCN(Cc2cc(C#N)ccc2F)CC1 ZINC000374675432 157146501 /nfs/dbraw/zinc/14/65/01/157146501.db2.gz DCUGMKJZFRZIKA-AWEZNQCLSA-N 0 1 262.328 2.698 20 30 CFEDMN N#Cc1c(CN2CCC[C@]23CCOC3)cn2ccccc12 ZINC000375278297 157216954 /nfs/dbraw/zinc/21/69/54/157216954.db2.gz KWKXMJJHCOMFER-QGZVFWFLSA-N 0 1 281.359 2.566 20 30 CFEDMN N#Cc1cc(CN2CCC([C@@H]3CCOC3)CC2)ccc1F ZINC000376339454 157344851 /nfs/dbraw/zinc/34/48/51/157344851.db2.gz HMNOGIANISRUKC-OAHLLOKOSA-N 0 1 288.366 2.946 20 30 CFEDMN O=C(c1cnc[nH]1)N(O)Cc1cccc2ccccc21 ZINC000900091733 620636405 /nfs/dbraw/zinc/63/64/05/620636405.db2.gz KOEVCPVWZIBKIE-UHFFFAOYSA-N 0 1 267.288 2.595 20 30 CFEDMN C=CCCn1cc(CN2CC[C@H](Cc3ccccc3)C2)nn1 ZINC000653558985 413370196 /nfs/dbraw/zinc/37/01/96/413370196.db2.gz AXOQWHKGSXQEAR-QGZVFWFLSA-N 0 1 296.418 2.919 20 30 CFEDMN C=CCCn1cc(CN2CC[C@H](C)C[C@H](C)C2)nn1 ZINC000653588855 413387867 /nfs/dbraw/zinc/38/78/67/413387867.db2.gz MMWWEKSRKRQHGL-KBPBESRZSA-N 0 1 262.401 2.722 20 30 CFEDMN C=CCCn1cc(CN(CC2CCC2)C(C)C)nn1 ZINC000653647024 413426507 /nfs/dbraw/zinc/42/65/07/413426507.db2.gz SALGWFAARWHWGN-UHFFFAOYSA-N 0 1 262.401 2.865 20 30 CFEDMN C[C@H](NCc1cccc(C(N)=O)c1)c1ccc(C#N)c(F)c1 ZINC000346187132 162345967 /nfs/dbraw/zinc/34/59/67/162345967.db2.gz LGGOYNAWNCLWKR-NSHDSACASA-N 0 1 297.333 2.647 20 30 CFEDMN N#Cc1csc(CNCCc2cc(F)ccc2F)n1 ZINC000352812449 163239091 /nfs/dbraw/zinc/23/90/91/163239091.db2.gz ZFZOMIIKJARXRI-UHFFFAOYSA-N 0 1 279.315 2.625 20 30 CFEDMN N#Cc1csc(CNCCc2cccc3cccnc32)n1 ZINC000352820352 163243460 /nfs/dbraw/zinc/24/34/60/163243460.db2.gz CLCBXVZSVAREII-UHFFFAOYSA-N 0 1 294.383 2.895 20 30 CFEDMN C[C@@H](CNCc1nc(C#N)cs1)Oc1ccccc1 ZINC000352836499 163247452 /nfs/dbraw/zinc/24/74/52/163247452.db2.gz MBKGYYVGHCVYBO-NSHDSACASA-N 0 1 273.361 2.572 20 30 CFEDMN N#Cc1csc(CNCCCc2ccccc2)n1 ZINC000352837331 163248443 /nfs/dbraw/zinc/24/84/43/163248443.db2.gz ZLFYYEUSPMBVJP-UHFFFAOYSA-N 0 1 257.362 2.737 20 30 CFEDMN N#Cc1csc(CN[C@@H]2CCCN(c3ccccc3)C2)n1 ZINC000352844759 163251392 /nfs/dbraw/zinc/25/13/92/163251392.db2.gz QZMYZBGDPJTWFU-CYBMUJFWSA-N 0 1 298.415 2.773 20 30 CFEDMN COc1ccc(CN2CC[C@@H](COC(F)F)C2)cc1C#N ZINC000353017334 163289042 /nfs/dbraw/zinc/28/90/42/163289042.db2.gz BWWABELSKVJXTF-GFCCVEGCSA-N 0 1 296.317 2.628 20 30 CFEDMN COc1cc(CNCc2ccnn2C(C)C)ccc1C#N ZINC000353251484 163328550 /nfs/dbraw/zinc/32/85/50/163328550.db2.gz QYKSJCJOSAIJFR-UHFFFAOYSA-N 0 1 284.363 2.634 20 30 CFEDMN C#Cc1cccc(NC(=O)CN(C)CCCCCF)c1 ZINC000284196363 196000077 /nfs/dbraw/zinc/00/00/77/196000077.db2.gz SDAFVORYOCAANU-UHFFFAOYSA-N 0 1 276.355 2.678 20 30 CFEDMN COc1ccc(CN[C@@H](C)c2ccc(C#N)cc2)cn1 ZINC000020186157 171050433 /nfs/dbraw/zinc/05/04/33/171050433.db2.gz ROKPNJFPVLWTJY-LBPRGKRZSA-N 0 1 267.332 2.813 20 30 CFEDMN C=CCCn1cc(CN(CC)C2CC(C)(C)C2)nn1 ZINC000653762476 413486873 /nfs/dbraw/zinc/48/68/73/413486873.db2.gz CTMCGURWCVJGAG-UHFFFAOYSA-N 0 1 262.401 2.865 20 30 CFEDMN C=CCCn1cc(CN2CCSC3(CCC3)CC2)nn1 ZINC000653761347 413487332 /nfs/dbraw/zinc/48/73/32/413487332.db2.gz WKNMXJDRRBVXNR-UHFFFAOYSA-N 0 1 292.452 2.716 20 30 CFEDMN C=CC[C@@H](C)NC(=O)NC[C@H]1CCN1Cc1ccccc1 ZINC000660681623 413495429 /nfs/dbraw/zinc/49/54/29/413495429.db2.gz RXBJCOQDQXKVIA-GDBMZVCRSA-N 0 1 287.407 2.525 20 30 CFEDMN C=CCCn1cc(CNC[C@@H]2CCCCC2(F)F)nn1 ZINC000657476610 413655193 /nfs/dbraw/zinc/65/51/93/413655193.db2.gz AWQKZHZEFIYAOE-LBPRGKRZSA-N 0 1 284.354 2.769 20 30 CFEDMN C=CC[C@@H]1CCCC[C@@H]1NC(=O)N[C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000660858005 413617309 /nfs/dbraw/zinc/61/73/09/413617309.db2.gz AMAAJMCWTSLZCU-FZKCQIBNSA-N 0 1 293.455 2.903 20 30 CFEDMN C=CCN(Cc1cnn(C(C)(C)C)c1)[C@@H](C)COC ZINC000661240750 413840188 /nfs/dbraw/zinc/84/01/88/413840188.db2.gz TVSOZJGLBIMHDZ-ZDUSSCGKSA-N 0 1 265.401 2.661 20 30 CFEDMN C=CCN(CCC(=O)c1ccc(F)cc1)[C@H](C)COC ZINC000661238950 413841913 /nfs/dbraw/zinc/84/19/13/413841913.db2.gz AKVLTKNQVDAFKT-CYBMUJFWSA-N 0 1 279.355 2.921 20 30 CFEDMN C=CC[C@@H]1CCCN([C@H](C(N)=O)c2ccc(F)cc2)C1 ZINC000661381588 413943808 /nfs/dbraw/zinc/94/38/08/413943808.db2.gz MWCSIZFEOJZXTJ-DOMZBBRYSA-N 0 1 276.355 2.640 20 30 CFEDMN C=CC[C@@H]1CCCC[C@@H]1[NH2+]Cc1nnc([C@H]2CCCO2)[n-]1 ZINC000658046113 414130728 /nfs/dbraw/zinc/13/07/28/414130728.db2.gz KFEIHFJOPYGZHK-HZSPNIEDSA-N 0 1 290.411 2.881 20 30 CFEDMN C=CC[C@@H]1CCCC[C@@H]1NC(=O)N[C@H](C)c1n[nH]c(C)n1 ZINC000665387236 414318118 /nfs/dbraw/zinc/31/81/18/414318118.db2.gz KMXUZIBGQZHRIR-RTXFEEFZSA-N 0 1 291.399 2.608 20 30 CFEDMN C=C1C[C@H]2CC[C@@H](C1)[N@H+]2[C@@H](C)c1nc(C)cc(=O)[n-]1 ZINC000662091529 414406738 /nfs/dbraw/zinc/40/67/38/414406738.db2.gz ZMXNDQOBIDCXLC-RWMBFGLXSA-N 0 1 259.353 2.735 20 30 CFEDMN C=C1C[C@H]2CC[C@@H](C1)[N@@H+]2[C@@H](C)c1nc(C)cc(=O)[n-]1 ZINC000662091529 414406743 /nfs/dbraw/zinc/40/67/43/414406743.db2.gz ZMXNDQOBIDCXLC-RWMBFGLXSA-N 0 1 259.353 2.735 20 30 CFEDMN N#Cc1cccc(CNCc2ccccc2[N+](=O)[O-])c1 ZINC000037865192 173813600 /nfs/dbraw/zinc/81/36/00/173813600.db2.gz SMJDEHNKNVKJJB-UHFFFAOYSA-N 0 1 267.288 2.756 20 30 CFEDMN CN(CC#Cc1ccc(F)cc1)CC1=CCSC1 ZINC000662268393 414484309 /nfs/dbraw/zinc/48/43/09/414484309.db2.gz XNCAAKUAGUZHDB-UHFFFAOYSA-N 0 1 261.365 2.782 20 30 CFEDMN C=CCCC1(CNC(=O)c2coc(CN)c2)CCCC1 ZINC000662620741 414577731 /nfs/dbraw/zinc/57/77/31/414577731.db2.gz QANHHRXBTSJTDB-UHFFFAOYSA-N 0 1 276.380 2.995 20 30 CFEDMN C=CC[C@@H]1CCCN(C(=O)[C@H](N)c2ccccc2C)C1 ZINC000662635945 414581680 /nfs/dbraw/zinc/58/16/80/414581680.db2.gz POFQBSTUIYIJEH-GDBMZVCRSA-N 0 1 272.392 2.810 20 30 CFEDMN C[C@H](C(=O)N(C)CCC#N)N1CCC(c2ccccc2)CC1 ZINC000078803815 177390529 /nfs/dbraw/zinc/39/05/29/177390529.db2.gz DLAQLKWSHIEAJT-OAHLLOKOSA-N 0 1 299.418 2.627 20 30 CFEDMN CO[C@@H]1C[C@H](c2ccccc2)CC[C@H]1NCCC#N ZINC000411728068 262705462 /nfs/dbraw/zinc/70/54/62/262705462.db2.gz KJMRLEQHTZXPRP-BZUAXINKSA-N 0 1 258.365 2.841 20 30 CFEDMN N#C[C@H](C(=O)c1cc2c(s1)CCCC2)c1ccncn1 ZINC000354463621 227001749 /nfs/dbraw/zinc/00/17/49/227001749.db2.gz IWCUPJBEJXVAIP-NSHDSACASA-N 0 1 283.356 2.907 20 30 CFEDMN N#CC(C(=O)c1cc2c(s1)CCCC2)c1ccncn1 ZINC000354463621 227001753 /nfs/dbraw/zinc/00/17/53/227001753.db2.gz IWCUPJBEJXVAIP-NSHDSACASA-N 0 1 283.356 2.907 20 30 CFEDMN Cc1n[nH]c(CCNC(=O)[C@@H]2C[C@@H]2C2CCCCC2)n1 ZINC000329124529 227312975 /nfs/dbraw/zinc/31/29/75/227312975.db2.gz XQFDBKWKOGYOSB-CHWSQXEVSA-N 0 1 276.384 2.829 20 30 CFEDMN C[C@H](CNCc1nc(C#N)cs1)Oc1cccc(F)c1 ZINC000352842793 227318233 /nfs/dbraw/zinc/31/82/33/227318233.db2.gz VQQOMEFZMGZEHS-SNVBAGLBSA-N 0 1 291.351 2.711 20 30 CFEDMN O=C(NCCC1(O)CCC1)[C@H]1CCC[N@H+]1C1CCCC1 ZINC000329151257 227330043 /nfs/dbraw/zinc/33/00/43/227330043.db2.gz SHPXPIZVWPYULC-CQSZACIVSA-N 0 1 280.412 2.655 20 30 CFEDMN N#CC1(CN2CCC[C@@H]2c2n[nH]c(-c3ccccc3)n2)CC1 ZINC000329212299 227354116 /nfs/dbraw/zinc/35/41/16/227354116.db2.gz HTBPDOLQWBNZIC-CQSZACIVSA-N 0 1 293.374 2.912 20 30 CFEDMN N#CC1(CN2CCC[C@@H]2c2nc(-c3ccccc3)n[nH]2)CC1 ZINC000329212299 227354122 /nfs/dbraw/zinc/35/41/22/227354122.db2.gz HTBPDOLQWBNZIC-CQSZACIVSA-N 0 1 293.374 2.912 20 30 CFEDMN Cc1cnn([C@@H]2CCCN(C([O-])=[NH+]C[C@H]3CC3(C)C)C2)c1 ZINC000329425380 227505378 /nfs/dbraw/zinc/50/53/78/227505378.db2.gz INRNFINYRWNSQH-ZIAGYGMSSA-N 0 1 290.411 2.789 20 30 CFEDMN C[C@H](F)CCN1CCN([C@@H](C#N)c2ccccc2)CC1 ZINC000351889251 228001829 /nfs/dbraw/zinc/00/18/29/228001829.db2.gz LFJQHWFSGYHHME-HOCLYGCPSA-N 0 1 275.371 2.617 20 30 CFEDMN O=C(C[C@H]1CCOC1)NCc1nc2ccc(F)cc2[nH]1 ZINC000330058384 228028244 /nfs/dbraw/zinc/02/82/44/228028244.db2.gz YVZURSPHHJCJOT-SECBINFHSA-N 0 1 277.299 2.585 20 30 CFEDMN C[C@@H]1OCCC[C@H]1C(=O)Nc1cccc(-c2cn[nH]n2)c1 ZINC000330142037 228048803 /nfs/dbraw/zinc/04/88/03/228048803.db2.gz XZDXZAVRVDOEOD-GXFFZTMASA-N 0 1 286.335 2.875 20 30 CFEDMN COCCN(CC#Cc1cccc(Cl)c1)C1CC1 ZINC000352021740 228174392 /nfs/dbraw/zinc/17/43/92/228174392.db2.gz MPXOYHJUPAYYJX-UHFFFAOYSA-N 0 1 263.768 2.802 20 30 CFEDMN Cc1cc(C[N@H+]2CCOC[C@@H]2C2CCC2)ccc1C#N ZINC000517738173 260000666 /nfs/dbraw/zinc/00/06/66/260000666.db2.gz FOPCOJFSCPSTPM-QGZVFWFLSA-N 0 1 270.376 2.868 20 30 CFEDMN Cc1cc(CN2CCOC[C@@H]2C2CCC2)ccc1C#N ZINC000517738173 260000667 /nfs/dbraw/zinc/00/06/67/260000667.db2.gz FOPCOJFSCPSTPM-QGZVFWFLSA-N 0 1 270.376 2.868 20 30 CFEDMN COc1ccc(CN2CCC(C)(C#N)CC2)cc1OC ZINC000227521255 260023439 /nfs/dbraw/zinc/02/34/39/260023439.db2.gz LDIDEKIQWCEZNO-UHFFFAOYSA-N 0 1 274.364 2.829 20 30 CFEDMN CCO[C@H](C)C(=O)Nc1nc(-c2ccc(C)cc2)n[nH]1 ZINC000066484429 260245813 /nfs/dbraw/zinc/24/58/13/260245813.db2.gz UQWJLYYAIZSYNQ-SNVBAGLBSA-N 0 1 274.324 2.793 20 30 CFEDMN CN(CCC#N)c1ccc(CNCc2ccco2)cc1 ZINC000072658532 260277651 /nfs/dbraw/zinc/27/76/51/260277651.db2.gz SRAGTVXBDBDDIU-UHFFFAOYSA-N 0 1 269.348 2.919 20 30 CFEDMN Cc1ccc(N(CCC#N)C(=O)CN2CCCC2)cc1C ZINC000073140925 260280501 /nfs/dbraw/zinc/28/05/01/260280501.db2.gz SKVSKFWYWMYTAM-UHFFFAOYSA-N 0 1 285.391 2.646 20 30 CFEDMN C=CCC[C@@H](CO)NCc1nc2c(s1)C[C@H](C)CC2 ZINC000449698832 260812066 /nfs/dbraw/zinc/81/20/66/260812066.db2.gz PDHGLIBKOQBXQW-NEPJUHHUSA-N 0 1 280.437 2.685 20 30 CFEDMN C=CCC[C@H](CO)NCc1nc2c(s1)C[C@H](C)CC2 ZINC000449698835 260812479 /nfs/dbraw/zinc/81/24/79/260812479.db2.gz PDHGLIBKOQBXQW-VXGBXAGGSA-N 0 1 280.437 2.685 20 30 CFEDMN CCN(CCC(=O)Nc1ccccc1C)C[C@@H](C)C#N ZINC000173241179 261159392 /nfs/dbraw/zinc/15/93/92/261159392.db2.gz IXYQXYLKXIOWHI-ZDUSSCGKSA-N 0 1 273.380 2.805 20 30 CFEDMN C#CCN(CC)C(=O)c1cn[nH]c1-c1ccc(Cl)s1 ZINC000491036759 261303198 /nfs/dbraw/zinc/30/31/98/261303198.db2.gz AYWNQCFXBPQHCD-UHFFFAOYSA-N 0 1 293.779 2.887 20 30 CFEDMN N#CCCCC[NH2+]Cc1cc(Br)ccc1[O-] ZINC000163864450 261333095 /nfs/dbraw/zinc/33/30/95/261333095.db2.gz PAHMVHLGTHQDNK-UHFFFAOYSA-N 0 1 283.169 2.938 20 30 CFEDMN Cc1csc(N2CCN(CCCC(C)(C)C#N)CC2)n1 ZINC000174819739 261584775 /nfs/dbraw/zinc/58/47/75/261584775.db2.gz OTNZAPWLYNGSEK-UHFFFAOYSA-N 0 1 292.452 2.904 20 30 CFEDMN N#CCCN(CCC(=O)OCc1ccccc1)CC1CC1 ZINC000181469451 261898307 /nfs/dbraw/zinc/89/83/07/261898307.db2.gz CCDWVUJAYJTLOM-UHFFFAOYSA-N 0 1 286.375 2.746 20 30 CFEDMN CC[C@H](CC#N)N[C@@H](C)CC(=O)Nc1ccc(OC)cc1 ZINC000184084311 262008028 /nfs/dbraw/zinc/00/80/28/262008028.db2.gz KRFUILWNYSZBGK-QWHCGFSZSA-N 0 1 289.379 2.694 20 30 CFEDMN CC[C@@H](CC#N)N[C@H](C)CC(=O)Nc1ccc(OC)cc1 ZINC000184084329 262008268 /nfs/dbraw/zinc/00/82/68/262008268.db2.gz KRFUILWNYSZBGK-OLZOCXBDSA-N 0 1 289.379 2.694 20 30 CFEDMN Cc1cccc(CN2CCCC[C@@H]2C(=O)N[C@@H](C)CC#N)c1 ZINC000364205056 262183987 /nfs/dbraw/zinc/18/39/87/262183987.db2.gz FCKLRXRRONYCPT-DOTOQJQBSA-N 0 1 299.418 2.768 20 30 CFEDMN N#C[C@@H]1CCC[C@@H](NCc2cccnc2OCC(F)F)C1 ZINC000193060159 262214886 /nfs/dbraw/zinc/21/48/86/262214886.db2.gz UITZUCAAEIIDMD-DGCLKSJQSA-N 0 1 295.333 2.897 20 30 CFEDMN C(#Cc1ccccc1)CN1CCC[C@H](OCC2CC2)C1 ZINC000364587590 262254506 /nfs/dbraw/zinc/25/45/06/262254506.db2.gz DQXVNNIGCDEELH-SFHVURJKSA-N 0 1 269.388 2.929 20 30 CFEDMN CN(CCC#N)C1C[C@H]2CC[C@@H](C1)N2C(=O)OC(C)(C)C ZINC000160542440 262284173 /nfs/dbraw/zinc/28/41/73/262284173.db2.gz RSVDWXCAMHXKFT-PBWFPOADSA-N 0 1 293.411 2.762 20 30 CFEDMN N#CC(C(=O)c1ccc(Br)o1)c1ccccn1 ZINC000060477019 262322884 /nfs/dbraw/zinc/32/28/84/262322884.db2.gz IWCGDJPEFUUVSL-QMMMGPOBSA-N 0 1 291.104 2.927 20 30 CFEDMN C=C[C@H](CO)N[C@@H]1C[C@@H](C)Sc2sccc21 ZINC000336668406 262377831 /nfs/dbraw/zinc/37/78/31/262377831.db2.gz GBIZHCONEWKHMS-FXPVBKGRSA-N 0 1 255.408 2.810 20 30 CFEDMN C[C@H](O)CCCN1CCC[C@@H]1[C@@H](C#N)c1ccccc1 ZINC000336829261 262398622 /nfs/dbraw/zinc/39/86/22/262398622.db2.gz CBNQIMIDDMYQTG-BHYGNILZSA-N 0 1 272.392 2.919 20 30 CFEDMN CC(C)(C)N1CC[C@@](F)(C(=O)N[C@](C)(C#N)C(C)(C)C)C1 ZINC000366036358 262539021 /nfs/dbraw/zinc/53/90/21/262539021.db2.gz BSPMQQZGVLASGV-CVEARBPZSA-N 0 1 297.418 2.643 20 30 CFEDMN C=C[C@@H]1OCC[C@H]1NCc1ccc(-c2ncco2)cc1F ZINC000411790871 262706885 /nfs/dbraw/zinc/70/68/85/262706885.db2.gz OZMCTFMYSCRTGV-CABCVRRESA-N 0 1 288.322 2.914 20 30 CFEDMN C[C@H](C(=O)OC(C)(C)C)N(CCCCC#N)C1CC1 ZINC000411910556 262710074 /nfs/dbraw/zinc/71/00/74/262710074.db2.gz UTINTEHTVRFKKJ-GFCCVEGCSA-N 0 1 266.385 2.875 20 30 CFEDMN Cc1csc(C(C#N)C(=O)c2cc(C#N)oc2C)n1 ZINC000435775705 269922911 /nfs/dbraw/zinc/92/29/11/269922911.db2.gz FKXSCLSOPDJSPU-LLVKDONJSA-N 0 1 271.301 2.715 20 30 CFEDMN C=CC[C@@H](Cc1ccccc1)NC(=O)[C@@H]1CCCN1C1CC1 ZINC000413992107 262797079 /nfs/dbraw/zinc/79/70/79/262797079.db2.gz XEKAJOYUGBFEAZ-WMZOPIPTSA-N 0 1 298.430 2.917 20 30 CFEDMN CN(CCC(C)(C)C#N)Cc1ccc([S@@](C)=O)cc1 ZINC000272036336 263001530 /nfs/dbraw/zinc/00/15/30/263001530.db2.gz QCHGPNOYAWUWIH-LJQANCHMSA-N 0 1 278.421 2.796 20 30 CFEDMN C=CCOc1cccnc1-c1nc([C@@H](N)CC(C)C)no1 ZINC000414614176 263009997 /nfs/dbraw/zinc/00/99/97/263009997.db2.gz GQZXITAWIBXFNR-NSHDSACASA-N 0 1 288.351 2.742 20 30 CFEDMN C=CCOc1ccc(C[N@H+](CC(=O)[O-])[C@@H](C)CC)cc1 ZINC000414687208 263031794 /nfs/dbraw/zinc/03/17/94/263031794.db2.gz WNXOALNJHCHWJL-ZDUSSCGKSA-N 0 1 277.364 2.937 20 30 CFEDMN C=CCOc1ccc(C[N@@H+]2CCCC[C@H]2C(=O)[O-])cc1 ZINC000414685498 263031996 /nfs/dbraw/zinc/03/19/96/263031996.db2.gz SZKGBRZMOOSOKH-HNNXBMFYSA-N 0 1 275.348 2.691 20 30 CFEDMN C[C@@H](CCC#N)[N@@H+](C)[C@@H]1CCCN(c2ccccc2)C1=O ZINC000276270651 263035753 /nfs/dbraw/zinc/03/57/53/263035753.db2.gz CUYIUYBPLFWJMT-GOEBONIOSA-N 0 1 285.391 2.806 20 30 CFEDMN C[C@@H](CCC#N)N(C)[C@@H]1CCCN(c2ccccc2)C1=O ZINC000276270651 263035754 /nfs/dbraw/zinc/03/57/54/263035754.db2.gz CUYIUYBPLFWJMT-GOEBONIOSA-N 0 1 285.391 2.806 20 30 CFEDMN N#C[C@@H]1CC[C@H](N2CCN(c3ccc(F)cc3)CC2)C1 ZINC000278761495 263050793 /nfs/dbraw/zinc/05/07/93/263050793.db2.gz XXKSOGHSCRIZMK-CJNGLKHVSA-N 0 1 273.355 2.640 20 30 CFEDMN CC(C)(C)[C@@H]1CN(Cc2ccc(OCC#N)cc2)CCO1 ZINC000279689003 263056804 /nfs/dbraw/zinc/05/68/04/263056804.db2.gz GAJUEATWFJRKRZ-INIZCTEOSA-N 0 1 288.391 2.836 20 30 CFEDMN COC(=O)[C@@H](CF)/N=C/c1cc(Cl)cc(Cl)c1O ZINC000287200001 263101172 /nfs/dbraw/zinc/10/11/72/263101172.db2.gz LTKFUJBMHMICMZ-DXLPTXHLSA-N 0 1 294.109 2.629 20 30 CFEDMN COC(=O)[C@H](CF)/N=C/c1cc(Cl)cc(Cl)c1O ZINC000287200004 263101203 /nfs/dbraw/zinc/10/12/03/263101203.db2.gz LTKFUJBMHMICMZ-XDDINVHESA-N 0 1 294.109 2.629 20 30 CFEDMN CC(C)(C)[C@@H](C#N)NC(=O)c1ccc(O)c(Cl)c1 ZINC000292135724 263129011 /nfs/dbraw/zinc/12/90/11/263129011.db2.gz SYGADFSMDFSWPV-LLVKDONJSA-N 0 1 266.728 2.714 20 30 CFEDMN N#C[C@@H]1CC[C@@H](N2CCN(c3cccs3)CC2)C1 ZINC000292920881 263136546 /nfs/dbraw/zinc/13/65/46/263136546.db2.gz XZJOECNPWXUZQJ-CHWSQXEVSA-N 0 1 261.394 2.562 20 30 CFEDMN Cc1ccc2c(c1)CN([C@@H]1CC[C@@H](C#N)C1)CCO2 ZINC000293569389 263143604 /nfs/dbraw/zinc/14/36/04/263143604.db2.gz MWOWYSQPISCUOQ-UKRRQHHQSA-N 0 1 256.349 2.882 20 30 CFEDMN C=CCN(CCC#N)C(=O)[C@H](c1ccccc1)N(CC)CC ZINC000293949174 263153181 /nfs/dbraw/zinc/15/31/81/263153181.db2.gz VMLJOQKLKQJUBE-KRWDZBQOSA-N 0 1 299.418 2.998 20 30 CFEDMN CN(C)Cc1ccnc(NC(=O)[C@@]2(C#N)CC23CCCC3)c1 ZINC000295333774 263176196 /nfs/dbraw/zinc/17/61/96/263176196.db2.gz PJLXGJTZNQFFKH-KRWDZBQOSA-N 0 1 298.390 2.556 20 30 CFEDMN CCN(C)[C@H](C(=O)N[C@H]1CC[C@@H](CC#N)C1)c1ccccc1 ZINC000295495824 263178504 /nfs/dbraw/zinc/17/85/04/263178504.db2.gz FTCYCPLJQGNABO-XIRDDKMYSA-N 0 1 299.418 2.878 20 30 CFEDMN C[C@H](CCC#N)N(C)C[C@@H]1OCCc2ccccc21 ZINC000298039441 263214449 /nfs/dbraw/zinc/21/44/49/263214449.db2.gz GOQDVOJGSUFNOA-CJNGLKHVSA-N 0 1 258.365 2.924 20 30 CFEDMN C#CCN(Cc1ccc(F)cc1)[C@@H]1CC[C@@H](C#N)C1 ZINC000298071067 263214799 /nfs/dbraw/zinc/21/47/99/263214799.db2.gz JLGSCBBIPYVKED-GDBMZVCRSA-N 0 1 256.324 2.953 20 30 CFEDMN C[C@@H](CCC#N)[N@@H+](C)CCc1cccc([N+](=O)[O-])c1 ZINC000298497429 263220858 /nfs/dbraw/zinc/22/08/58/263220858.db2.gz JXMSJKMOKBVFOP-LBPRGKRZSA-N 0 1 261.325 2.761 20 30 CFEDMN C=CCCC[N@H+](C)CC(=O)Nc1cc(OC)ccc1OC ZINC000121086419 263289892 /nfs/dbraw/zinc/28/98/92/263289892.db2.gz MPEJKJDOESWKCP-UHFFFAOYSA-N 0 1 292.379 2.540 20 30 CFEDMN C=CCCCN(C)CC(=O)Nc1cc(OC)ccc1OC ZINC000121086419 263289895 /nfs/dbraw/zinc/28/98/95/263289895.db2.gz MPEJKJDOESWKCP-UHFFFAOYSA-N 0 1 292.379 2.540 20 30 CFEDMN C=CCN(C)[C@@H](C)C(=O)N[C@@H](C)c1ccc(F)cc1 ZINC000121338692 263291195 /nfs/dbraw/zinc/29/11/95/263291195.db2.gz WUSAHXMUFSZIIO-RYUDHWBXSA-N 0 1 264.344 2.509 20 30 CFEDMN C=CC[N@H+](C)Cc1cn(C)nc1-c1ccc(C#N)cc1 ZINC000121242399 263291971 /nfs/dbraw/zinc/29/19/71/263291971.db2.gz MGKFUZVNCFNTSH-UHFFFAOYSA-N 0 1 266.348 2.577 20 30 CFEDMN C=CCCC[C@@H](C)N1CCN(CC(F)(F)F)CC1 ZINC000340762135 263304845 /nfs/dbraw/zinc/30/48/45/263304845.db2.gz UHOAWSLRCGDTNJ-GFCCVEGCSA-N 0 1 264.335 2.911 20 30 CFEDMN C=CC[C@@H](CC)NC(=O)N[C@@H](c1nnc[nH]1)c1ccccc1 ZINC000341432796 263337922 /nfs/dbraw/zinc/33/79/22/263337922.db2.gz MAKMQDXPPVATCZ-ZIAGYGMSSA-N 0 1 299.378 2.548 20 30 CFEDMN C=CCCCN(C)C(=O)c1c[nH]c2ccc(C)cc2c1=O ZINC000341935346 263367337 /nfs/dbraw/zinc/36/73/37/263367337.db2.gz NKEQRQHGEKRDHS-UHFFFAOYSA-N 0 1 284.359 2.875 20 30 CFEDMN COCC1(C#N)CCN(CCC(=O)c2ccccc2)CC1 ZINC000341985300 263379922 /nfs/dbraw/zinc/37/99/22/263379922.db2.gz WNSZMLORIALXRX-UHFFFAOYSA-N 0 1 286.375 2.512 20 30 CFEDMN CC(C)C[C@H](N)c1noc(C2(C#N)CCCCC2)n1 ZINC000342031370 263385809 /nfs/dbraw/zinc/38/58/09/263385809.db2.gz WWWZSZARMTYABN-NSHDSACASA-N 0 1 262.357 2.841 20 30 CFEDMN C=C1CCN([C@@H](C)C(=O)N2[C@H](C)CCC[C@@H]2C)CC1 ZINC000342184392 263395195 /nfs/dbraw/zinc/39/51/95/263395195.db2.gz RIZPQFDZSPNBGX-ZNMIVQPWSA-N 0 1 264.413 2.816 20 30 CFEDMN C[C@@H]1C[C@H](C(=O)N[C@@H]2CCCc3cn[nH]c32)CCC1=O ZINC000328937213 263893927 /nfs/dbraw/zinc/89/39/27/263893927.db2.gz JSYJYKUBKTYRMC-CKYFFXLPSA-N 0 1 275.352 2.749 20 30 CFEDMN C=CCCC[C@H](C)[NH+]=C([O-])N[C@H]1CCc2c[nH]nc2C1 ZINC000330672094 264014177 /nfs/dbraw/zinc/01/41/77/264014177.db2.gz WYXBAZZJLGUKOA-AAEUAGOBSA-N 0 1 276.384 2.515 20 30 CFEDMN CCc1noc(C)c1NC(=O)N[C@@H](C)C1=CC[N@@H+](C)CC1 ZINC000330797406 264040839 /nfs/dbraw/zinc/04/08/39/264040839.db2.gz XRKMQQGFQJHSIE-JTQLQIEISA-N 0 1 292.383 2.522 20 30 CFEDMN CCS[C@@H]1CC[C@@H](N(C)C(=O)NCc2cn[nH]c2C)C1 ZINC000330835770 264051115 /nfs/dbraw/zinc/05/11/15/264051115.db2.gz LPFODHFYSNJOGX-CHWSQXEVSA-N 0 1 296.440 2.738 20 30 CFEDMN CCN1CCC[C@H](NC(=O)c2cc(C(C)(C)C)on2)C1 ZINC000330907912 264074382 /nfs/dbraw/zinc/07/43/82/264074382.db2.gz TWKTWGWOVMYPGZ-NSHDSACASA-N 0 1 279.384 2.761 20 30 CFEDMN CCC1(CNC(=O)N[C@@H](C)c2nnc[nH]2)CCCCC1 ZINC000330890660 264076138 /nfs/dbraw/zinc/07/61/38/264076138.db2.gz WMVCWNDWSXKWAC-NSHDSACASA-N 0 1 279.388 2.730 20 30 CFEDMN CC[C@H](C)C[C@H](C)[NH+]=C([O-])N[C@H]1CCc2c[nH]nc2C1 ZINC000330973620 264100752 /nfs/dbraw/zinc/10/07/52/264100752.db2.gz GOCXTRJUWDKXDB-GVXVVHGQSA-N 0 1 278.400 2.595 20 30 CFEDMN CC(C)CN(C)C([O-])=[NH+][C@@H]1CCCC[C@H]1n1cccn1 ZINC000330975977 264101826 /nfs/dbraw/zinc/10/18/26/264101826.db2.gz OCRXOFWEZHHYHC-ZIAGYGMSSA-N 0 1 278.400 2.869 20 30 CFEDMN C[C@H]1CCCC[N@H+]1CCNC(=O)Nc1ccc(Cl)cn1 ZINC000331110041 264126417 /nfs/dbraw/zinc/12/64/17/264126417.db2.gz IMFNVKIXVZEEAK-NSHDSACASA-N 0 1 296.802 2.935 20 30 CFEDMN CC(C)c1occc1C(=O)NC[C@@H]1CCCCN1CCO ZINC000331300970 264199272 /nfs/dbraw/zinc/19/92/72/264199272.db2.gz DYCOYWSHMPIWMX-ZDUSSCGKSA-N 0 1 294.395 2.554 20 30 CFEDMN Cc1cccc(C)c1[C@H](C)NC(=O)N(C)Cc1nnc[nH]1 ZINC000331358927 264209066 /nfs/dbraw/zinc/20/90/66/264209066.db2.gz VVFCABURGWQZJY-LBPRGKRZSA-N 0 1 287.367 2.529 20 30 CFEDMN C=CCCCN(C)[C@H](C)C(=O)Nc1ccccc1C#N ZINC000076737262 264343703 /nfs/dbraw/zinc/34/37/03/264343703.db2.gz KODMXLGLLFAEQL-CYBMUJFWSA-N 0 1 271.364 2.783 20 30 CFEDMN CC#CCNC(=O)Nc1ccc2nc(C(F)F)[nH]c2c1 ZINC000190144722 264351141 /nfs/dbraw/zinc/35/11/41/264351141.db2.gz ARQDZADRFRSEJM-UHFFFAOYSA-N 0 1 278.262 2.645 20 30 CFEDMN C#CCOc1ccccc1C[N@@H+]1CCC[C@](CC)(CO)C1 ZINC000190228194 264395887 /nfs/dbraw/zinc/39/58/87/264395887.db2.gz JSDZLQLSKYHYJP-SFHVURJKSA-N 0 1 287.403 2.683 20 30 CFEDMN C=CCCOCCN[C@H](C)c1ccc(C#N)cc1F ZINC000358597805 265583086 /nfs/dbraw/zinc/58/30/86/265583086.db2.gz YBNIGFPGUHKMJV-GFCCVEGCSA-N 0 1 262.328 2.941 20 30 CFEDMN CC(C)N(C(=O)[C@@H](C)N1CCC(C)(C#N)CC1)C(C)C ZINC000356446221 266115714 /nfs/dbraw/zinc/11/57/14/266115714.db2.gz LLDKCWTVSGVOEC-CQSZACIVSA-N 0 1 279.428 2.646 20 30 CFEDMN C[C@@H]1CN(C)C[C@H](C)N1C(=O)C[C@@H](CC#N)c1ccccc1 ZINC000356545829 266134940 /nfs/dbraw/zinc/13/49/40/266134940.db2.gz VSHBZZDKTQCORK-HLLBOEOZSA-N 0 1 299.418 2.625 20 30 CFEDMN C=C(C)C[C@H](C)C(=O)N[C@H](Cc1nc[nH]n1)c1ccccc1 ZINC000356556697 266137295 /nfs/dbraw/zinc/13/72/95/266137295.db2.gz QYFDOTYWPKOZQK-DZGCQCFKSA-N 0 1 298.390 2.807 20 30 CFEDMN C=CCN(C(=O)NC[C@H](c1cccs1)N(C)C)C1CC1 ZINC000357088358 266245540 /nfs/dbraw/zinc/24/55/40/266245540.db2.gz SCGHBZZWAVERQE-CYBMUJFWSA-N 0 1 293.436 2.711 20 30 CFEDMN CC[C@@H]1CN(Cc2ccc(C#N)cc2)C[C@H](CC)O1 ZINC000398533051 266380021 /nfs/dbraw/zinc/38/00/21/266380021.db2.gz RWBZUPTWXXZJIO-IYBDPMFKSA-N 0 1 258.365 2.948 20 30 CFEDMN C=CCCC1(C(=O)N2C[C@@H]3CCCCN3C[C@H]2C)CC1 ZINC000361714421 266873224 /nfs/dbraw/zinc/87/32/24/266873224.db2.gz PPLCDTNYNSCSCC-CABCVRRESA-N 0 1 276.424 2.818 20 30 CFEDMN C=CCN(CC=C)C(=O)CN1CCc2c(C)cc(C)cc2C1 ZINC000362584088 267010067 /nfs/dbraw/zinc/01/00/67/267010067.db2.gz QOADPGIEIASFIQ-UHFFFAOYSA-N 0 1 298.430 2.862 20 30 CFEDMN C=C[C@H](C)NC(=O)c1ccc(Nc2ccncc2)cc1 ZINC000362616065 267024105 /nfs/dbraw/zinc/02/41/05/267024105.db2.gz UWYKEXPFHVTZEQ-LBPRGKRZSA-N 0 1 267.332 2.551 20 30 CFEDMN C[C@@H]1CN(c2ccc(C#N)nc2)CCN1Cc1ccccc1 ZINC000396414007 267061485 /nfs/dbraw/zinc/06/14/85/267061485.db2.gz OLMZPGSWIWWNOM-OAHLLOKOSA-N 0 1 292.386 2.664 20 30 CFEDMN COCCCN1CCC[C@H]1[C@H](C#N)c1ccccc1 ZINC000363285787 267084752 /nfs/dbraw/zinc/08/47/52/267084752.db2.gz SQMHBJWGFQYIDO-CVEARBPZSA-N 0 1 258.365 2.795 20 30 CFEDMN C=C(Cl)CN[C@H](C)[C@H]1CN(Cc2ccccc2)CCO1 ZINC000368466148 267174729 /nfs/dbraw/zinc/17/47/29/267174729.db2.gz KPGNCWZFHMWLMI-GDBMZVCRSA-N 0 1 294.826 2.618 20 30 CFEDMN C=CCCCN1CCN(c2ccc(C#N)cc2F)CC1 ZINC000117877017 267223904 /nfs/dbraw/zinc/22/39/04/267223904.db2.gz INOITGDSKZRMJU-UHFFFAOYSA-N 0 1 273.355 2.786 20 30 CFEDMN C[C@H]1CN(c2cc(C#N)ccn2)CCN1Cc1ccccc1 ZINC000396418483 267237973 /nfs/dbraw/zinc/23/79/73/267237973.db2.gz SIXCQTWRQAINGX-HNNXBMFYSA-N 0 1 292.386 2.664 20 30 CFEDMN CCn1nc(C)c(CNCc2cc(C#N)cs2)c1C ZINC000530879236 267260441 /nfs/dbraw/zinc/26/04/41/267260441.db2.gz HIQUBRFWXKOWFD-UHFFFAOYSA-N 0 1 274.393 2.743 20 30 CFEDMN Cc1ccn(C2CCN(CC#Cc3ccccc3)CC2)n1 ZINC000370029977 267284762 /nfs/dbraw/zinc/28/47/62/267284762.db2.gz IQYPUAMSFCVKBE-UHFFFAOYSA-N 0 1 279.387 2.880 20 30 CFEDMN CCn1cc(CNC2CC(C#N)(c3ccccc3)C2)cn1 ZINC000370478214 267321656 /nfs/dbraw/zinc/32/16/56/267321656.db2.gz XOZHYYXIZJPMPJ-UHFFFAOYSA-N 0 1 280.375 2.617 20 30 CFEDMN Cc1cc(N2CCN(Cc3ccccc3)CC2)c(C#N)cn1 ZINC000399704205 267338728 /nfs/dbraw/zinc/33/87/28/267338728.db2.gz DEIKCCMKICTRQB-UHFFFAOYSA-N 0 1 292.386 2.584 20 30 CFEDMN COC(=O)CC1(NCc2ccc(C#N)cc2Cl)CCC1 ZINC000459388004 267360208 /nfs/dbraw/zinc/36/02/08/267360208.db2.gz KMVOSNYYDPAJMU-UHFFFAOYSA-N 0 1 292.766 2.787 20 30 CFEDMN C=C(C)CN(CC)[C@@H](C)C(=O)Nc1ccccc1OC ZINC000120105618 267381118 /nfs/dbraw/zinc/38/11/18/267381118.db2.gz ZPLXKMJJDHPUKA-ZDUSSCGKSA-N 0 1 276.380 2.920 20 30 CFEDMN CC(C)[C@](C)(C#N)NC(=O)CN1CC[C@H](C)C2(CCC2)C1 ZINC000376604366 268000044 /nfs/dbraw/zinc/00/00/44/268000044.db2.gz OTGPHXHNUOJSKG-HOCLYGCPSA-N 0 1 291.439 2.553 20 30 CFEDMN C[C@H]1CCCCN1Cc1ccc(C#N)cc1[N+](=O)[O-] ZINC000516973415 270393300 /nfs/dbraw/zinc/39/33/00/270393300.db2.gz RLAIZDGYMJSKJH-NSHDSACASA-N 0 1 259.309 2.841 20 30 CFEDMN C[C@H]1O[C@@H](C)[C@H](C)[C@@H]1NCc1ccc(F)cc1C#N ZINC000528752155 270660650 /nfs/dbraw/zinc/66/06/50/270660650.db2.gz DTIIRKVAYBKHQP-ZVXAKGHKSA-N 0 1 262.328 2.599 20 30 CFEDMN CO[C@H]1CCCN(CC#Cc2ccc(Cl)cc2)C1 ZINC000177113341 274079251 /nfs/dbraw/zinc/07/92/51/274079251.db2.gz IDMCOMFCJWBWEK-HNNXBMFYSA-N 0 1 263.768 2.802 20 30 CFEDMN Cn1nccc1CNCC#Cc1ccc(C(F)(F)F)cc1 ZINC000177715732 274904067 /nfs/dbraw/zinc/90/40/67/274904067.db2.gz NOBWXXIEAHCXDS-UHFFFAOYSA-N 0 1 293.292 2.580 20 30 CFEDMN C#CCN1CCC(C(=O)N2C[C@@H](C)[C@@H]2c2ccccc2)CC1 ZINC000173972982 275381786 /nfs/dbraw/zinc/38/17/86/275381786.db2.gz DXHQPILMFZVUMW-CRAIPNDOSA-N 0 1 296.414 2.551 20 30 CFEDMN C=C[C@@H](CO)N[C@H]1C[C@H](C)Sc2sccc21 ZINC000289647524 275436105 /nfs/dbraw/zinc/43/61/05/275436105.db2.gz GBIZHCONEWKHMS-QXEWZRGKSA-N 0 1 255.408 2.810 20 30 CFEDMN C#Cc1ccc(CN2CCC(O)(C(F)(F)F)CC2)cc1 ZINC000278983337 275387370 /nfs/dbraw/zinc/38/73/70/275387370.db2.gz PPRNJPRTVWVKHJ-UHFFFAOYSA-N 0 1 283.293 2.557 20 30 CFEDMN C=CCCCNCc1csc(N(CC)C(C)=O)n1 ZINC000279210201 275422986 /nfs/dbraw/zinc/42/29/86/275422986.db2.gz WCDWJCASDIHCNA-UHFFFAOYSA-N 0 1 267.398 2.572 20 30 CFEDMN C=CCC[C@@H](CC)N[C@H]1CS(=O)(=O)c2ccccc21 ZINC000269069131 275423342 /nfs/dbraw/zinc/42/33/42/275423342.db2.gz MISGLBIUKNTIQP-OCCSQVGLSA-N 0 1 279.405 2.849 20 30 CFEDMN CC(C)(C)N1CC[C@H](N[C@H]2CCc3ccc(C#N)cc32)C1=O ZINC000335405060 275513610 /nfs/dbraw/zinc/51/36/10/275513610.db2.gz CCUMQUFIYLFLJE-HOTGVXAUSA-N 0 1 297.402 2.535 20 30 CFEDMN CC(C)N1CCC[C@@H](NC2(c3cccc(C#N)c3)CC2)C1=O ZINC000279116648 275634300 /nfs/dbraw/zinc/63/43/00/275634300.db2.gz SPGFYSOZQZHREK-MRXNPFEDSA-N 0 1 297.402 2.536 20 30 CFEDMN CCC1(CC)CCN([C@H](C(N)=O)c2ccc(C#N)cc2)CC1 ZINC000362601310 276216662 /nfs/dbraw/zinc/21/66/62/276216662.db2.gz IPZDSLHIGCOAIK-INIZCTEOSA-N 0 1 299.418 2.987 20 30 CFEDMN C=C(Br)CN[C@@H]1CCN(C)[C@H]1c1ccccc1 ZINC000284236839 276855098 /nfs/dbraw/zinc/85/50/98/276855098.db2.gz KPYGWWLCPRVSAZ-KGLIPLIRSA-N 0 1 295.224 2.930 20 30 CFEDMN CN1Cc2ccccc2[C@H](NCc2cccc(C#N)c2)C1 ZINC000372885848 277212823 /nfs/dbraw/zinc/21/28/23/277212823.db2.gz WLNYQUKICCXPRP-GOSISDBHSA-N 0 1 277.371 2.835 20 30 CFEDMN COCCN(Cc1cc(F)ccc1C#N)CC(C)C ZINC000158442629 277217810 /nfs/dbraw/zinc/21/78/10/277217810.db2.gz GRXBJIJJEASGNN-UHFFFAOYSA-N 0 1 264.344 2.802 20 30 CFEDMN CC(C)CC1(CN[C@@H](C(N)=O)c2ccc(C#N)cc2)CC1 ZINC000151695980 277349082 /nfs/dbraw/zinc/34/90/82/277349082.db2.gz MWMYJOCYIBWOFA-OAHLLOKOSA-N 0 1 285.391 2.501 20 30 CFEDMN C=CCCCNC(=O)NC[C@H](c1cccs1)N(C)C ZINC000279645615 277829167 /nfs/dbraw/zinc/82/91/67/277829167.db2.gz WGDLNZRIEPWADS-GFCCVEGCSA-N 0 1 281.425 2.616 20 30 CFEDMN CC1(C)CC[C@H](NC(=O)N[C@@H]2CCCc3cn[nH]c32)C1 ZINC000329097261 278271906 /nfs/dbraw/zinc/27/19/06/278271906.db2.gz YKAYCOHBOVDKQK-NWDGAFQWSA-N 0 1 276.384 2.869 20 30 CFEDMN CC1(C)CC[C@H](NC(=O)N[C@H]2CCCc3cn[nH]c32)C1 ZINC000329097263 278271978 /nfs/dbraw/zinc/27/19/78/278271978.db2.gz YKAYCOHBOVDKQK-RYUDHWBXSA-N 0 1 276.384 2.869 20 30 CFEDMN C[C@H](c1cccc(C#N)c1)N1CCC[C@H](N2CCCC2=O)C1 ZINC000336345385 278309662 /nfs/dbraw/zinc/30/96/62/278309662.db2.gz MNQVUGRPNKSBDO-PBHICJAKSA-N 0 1 297.402 2.706 20 30 CFEDMN C[C@@H]1CN(c2c(C#N)cnc3ccccc32)C[C@@H](C)N1C ZINC000135266494 278798405 /nfs/dbraw/zinc/79/84/05/278798405.db2.gz ZIGXNIBDDYSBBG-CHWSQXEVSA-N 0 1 280.375 2.635 20 30 CFEDMN C[C@@H]1Oc2cc(F)ccc2[C@@H]1N[C@@H]1CC[C@H](C#N)C1 ZINC000348332884 279061655 /nfs/dbraw/zinc/06/16/55/279061655.db2.gz XYMITLCIOJWSEB-LFIJZLDSSA-N 0 1 260.312 2.930 20 30 CFEDMN C[C@@H]1Oc2cc(F)ccc2[C@@H]1N[C@H]1CC[C@@H](C#N)C1 ZINC000348332885 279062094 /nfs/dbraw/zinc/06/20/94/279062094.db2.gz XYMITLCIOJWSEB-NPZRNVLXSA-N 0 1 260.312 2.930 20 30 CFEDMN C[C@@H]1CN(C)[C@@H](C)CN1c1nc(C(F)(F)F)ccc1C#N ZINC000351505382 288101318 /nfs/dbraw/zinc/10/13/18/288101318.db2.gz MTMWEWUCLPMMCM-VHSXEESVSA-N 0 1 298.312 2.501 20 30 CFEDMN C[C@H](NCC1(C#N)CC1)[C@H]1Oc2ccccc2[C@@H]1C ZINC000348529876 279461982 /nfs/dbraw/zinc/46/19/82/279461982.db2.gz GJBUBVQVTRAFAY-HUBLWGQQSA-N 0 1 256.349 2.833 20 30 CFEDMN Cc1ccc2[nH]c(NC(=O)c3ccc(C#N)c(O)c3)nc2c1 ZINC000344485494 281160807 /nfs/dbraw/zinc/16/08/07/281160807.db2.gz ZCZZCVHZVKNPJV-UHFFFAOYSA-N 0 1 292.298 2.701 20 30 CFEDMN Cc1ccc2nc(NC(=O)c3ccc(C#N)c(O)c3)[nH]c2c1 ZINC000344485494 281160809 /nfs/dbraw/zinc/16/08/09/281160809.db2.gz ZCZZCVHZVKNPJV-UHFFFAOYSA-N 0 1 292.298 2.701 20 30 CFEDMN CC1(C)CN([C@@H](C(N)=O)c2ccc(C#N)cc2)CC(C)(C)C1 ZINC000342376010 281260809 /nfs/dbraw/zinc/26/08/09/281260809.db2.gz XXDJFGUYNMUVAC-OAHLLOKOSA-N 0 1 299.418 2.843 20 30 CFEDMN CC1(C)CN([C@H](C(N)=O)c2ccc(C#N)cc2)CC(C)(C)C1 ZINC000342376009 281263348 /nfs/dbraw/zinc/26/33/48/281263348.db2.gz XXDJFGUYNMUVAC-HNNXBMFYSA-N 0 1 299.418 2.843 20 30 CFEDMN N#Cc1ccc(NC(=O)CN2CC[C@H](CC3CC3)C2)cc1 ZINC000559417292 282006042 /nfs/dbraw/zinc/00/60/42/282006042.db2.gz CSGFPEYHRZXGOY-OAHLLOKOSA-N 0 1 283.375 2.619 20 30 CFEDMN CCCCNC(=O)[C@@H](C)N[C@H](C)c1ccc(C#N)cc1 ZINC000037502339 289822949 /nfs/dbraw/zinc/82/29/49/289822949.db2.gz VHGZGHKXVZJHCK-CHWSQXEVSA-N 0 1 273.380 2.514 20 30 CFEDMN Cc1ccsc1CN1CCN(c2cnccc2C#N)CC1 ZINC000562386358 290040024 /nfs/dbraw/zinc/04/00/24/290040024.db2.gz DKMJUEDVBVKRJW-UHFFFAOYSA-N 0 1 298.415 2.645 20 30 CFEDMN COc1ccc(C#N)cc1CN1CC[C@@H](OC(C)C)C1 ZINC000563066050 290100435 /nfs/dbraw/zinc/10/04/35/290100435.db2.gz HPQUNDOBLWLAIF-OAHLLOKOSA-N 0 1 274.364 2.566 20 30 CFEDMN N#Cc1ccc(CN2CC[C@@]3(C2)OCc2ccccc23)nc1 ZINC000563545004 290159616 /nfs/dbraw/zinc/15/96/16/290159616.db2.gz GGPGWJQWRCGZOJ-SFHVURJKSA-N 0 1 291.354 2.585 20 30 CFEDMN CCN1C[C@@H](C)N(Cc2ccc(C#N)s2)[C@H](C)C1 ZINC000566426973 290383082 /nfs/dbraw/zinc/38/30/82/290383082.db2.gz ZAHYULQSEYRXOC-VXGBXAGGSA-N 0 1 263.410 2.534 20 30 CFEDMN C=CCCN1CC[C@H]1CN(C)C(=O)c1ccc(C)s1 ZINC001085456700 782055916 /nfs/dbraw/zinc/05/59/16/782055916.db2.gz QIVFQAYHPZYQLZ-ZDUSSCGKSA-N 0 1 278.421 2.779 20 30 CFEDMN CC1CC(C#N)(C(=O)Nc2cccc(Cl)c2O)C1 ZINC000531759863 328030860 /nfs/dbraw/zinc/03/08/60/328030860.db2.gz WYLPKDIUWLPQAN-UHFFFAOYSA-N 0 1 264.712 2.924 20 30 CFEDMN C=CCn1c(C(C)(C)C)n[n-]c1=[NH+]c1cccc(OC)c1 ZINC000563629464 328078857 /nfs/dbraw/zinc/07/88/57/328078857.db2.gz IRUOARKSXNVGBP-UHFFFAOYSA-N 0 1 286.379 2.936 20 30 CFEDMN CN1CC[C@@H](NCCC#N)[C@@H]1c1ccc(Cl)cc1 ZINC000411747416 328098636 /nfs/dbraw/zinc/09/86/36/328098636.db2.gz KWMGOLKFKITNSR-KGLIPLIRSA-N 0 1 263.772 2.588 20 30 CFEDMN N#CCC[C@@H](C#N)CNCCCOc1ccc(F)cc1 ZINC000574982761 328234702 /nfs/dbraw/zinc/23/47/02/328234702.db2.gz KQDFXYXUFMTUHK-ZDUSSCGKSA-N 0 1 275.327 2.628 20 30 CFEDMN CC[C@@H]1CN(C(=O)CCCC#N)CCN1Cc1ccccc1 ZINC000291936513 328267690 /nfs/dbraw/zinc/26/76/90/328267690.db2.gz OYBDVLIJOQLSHW-QGZVFWFLSA-N 0 1 299.418 2.803 20 30 CFEDMN COc1ccc2c(c1)CN([C@@H]1CC[C@H](C#N)C1)CC2 ZINC000293563195 328276879 /nfs/dbraw/zinc/27/68/79/328276879.db2.gz SEAPHZRNLSHRPY-SWLSCSKDSA-N 0 1 256.349 2.746 20 30 CFEDMN N#C[C@H]1CC[C@H](Sc2nc(-c3cccnc3)n[nH]2)C1 ZINC000295840028 328287353 /nfs/dbraw/zinc/28/73/53/328287353.db2.gz WUNUWJYERUUZKK-ONGXEEELSA-N 0 1 271.349 2.651 20 30 CFEDMN COC(=O)c1cccc(CN(C)C2CC(C)(C)C2)c1C#N ZINC000580164870 325012088 /nfs/dbraw/zinc/01/20/88/325012088.db2.gz PLTVFMMHNLYGSA-UHFFFAOYSA-N 0 1 286.375 2.965 20 30 CFEDMN C=CCN(Cc1ccccc1F)C(=O)[C@@H](C)N1CC(C)C1 ZINC000557562863 327013540 /nfs/dbraw/zinc/01/35/40/327013540.db2.gz IFZATLOEYMXHMP-CQSZACIVSA-N 0 1 290.382 2.681 20 30 CFEDMN N#CC1(CNC[C@H](O)Cc2cccc(Cl)c2)CCC1 ZINC000565887686 327078609 /nfs/dbraw/zinc/07/86/09/327078609.db2.gz ASELLPYCAKXHHL-CQSZACIVSA-N 0 1 278.783 2.527 20 30 CFEDMN N#CCC[C@H](C#N)CNC1CC(c2ccccc2)C1 ZINC000558506474 327099458 /nfs/dbraw/zinc/09/94/58/327099458.db2.gz WUYJOBYIJHJGAX-IUDNXUCKSA-N 0 1 253.349 2.966 20 30 CFEDMN N#CCC[C@H](C#N)CN[C@@H]1C[C@H]1c1cccc(F)c1 ZINC000558506456 327099477 /nfs/dbraw/zinc/09/94/77/327099477.db2.gz TWANNVDQFAWKJK-BYCMXARLSA-N 0 1 257.312 2.715 20 30 CFEDMN CCn1c2ccccc2nc1CCNC[C@@H](C#N)CCC#N ZINC000566107815 327137240 /nfs/dbraw/zinc/13/72/40/327137240.db2.gz ALGIZAVSMMIRGF-CQSZACIVSA-N 0 1 295.390 2.632 20 30 CFEDMN C=CCCCCCNC(=O)NCc1ccc2cncn2c1 ZINC000583389139 327339483 /nfs/dbraw/zinc/33/94/83/327339483.db2.gz CBQRYPUANITRES-UHFFFAOYSA-N 0 1 286.379 2.880 20 30 CFEDMN Cc1cc(CC(=O)Nc2cccc(OCCCC#N)c2)n[nH]1 ZINC000123518432 327375575 /nfs/dbraw/zinc/37/55/75/327375575.db2.gz GYZSWKVPKKDSGI-UHFFFAOYSA-N 0 1 298.346 2.582 20 30 CFEDMN CC#CCN(C)C(=O)c1cccc(C(F)(F)F)c1O ZINC000569707542 327538641 /nfs/dbraw/zinc/53/86/41/327538641.db2.gz FBEMSEMYHVPRLW-UHFFFAOYSA-N 0 1 271.238 2.506 20 30 CFEDMN C=CCOCCN[C@H](c1ncc[nH]1)C1CCCCC1 ZINC000367617653 328932730 /nfs/dbraw/zinc/93/27/30/328932730.db2.gz RAWUEJKXQNMDML-AWEZNQCLSA-N 0 1 263.385 2.823 20 30 CFEDMN C[C@H](C#N)Oc1ccc(CN[C@H]2CCCc3c[nH]nc32)cc1 ZINC000378164840 329041939 /nfs/dbraw/zinc/04/19/39/329041939.db2.gz UVXSPHVBTPYXIA-WBMJQRKESA-N 0 1 296.374 2.868 20 30 CFEDMN C[C@H](C#N)Oc1ccc(CN[C@@H]2CCCc3c[nH]nc32)cc1 ZINC000378164838 329041945 /nfs/dbraw/zinc/04/19/45/329041945.db2.gz UVXSPHVBTPYXIA-MLGOLLRUSA-N 0 1 296.374 2.868 20 30 CFEDMN C#CCCCCC(=O)N[C@H](c1n[nH]c(C)n1)c1ccccc1 ZINC000180011695 329214503 /nfs/dbraw/zinc/21/45/03/329214503.db2.gz ZHCBIUMPFNTOEV-INIZCTEOSA-N 0 1 296.374 2.512 20 30 CFEDMN C=C(C)CN(C)CC(=O)N1CCC[C@@H]2CCCC[C@@H]21 ZINC000181259270 329228028 /nfs/dbraw/zinc/22/80/28/329228028.db2.gz ZHRRWFPZFIQXAR-GJZGRUSLSA-N 0 1 264.413 2.676 20 30 CFEDMN CCCn1cc(C([O-])=C(C#N)c2nc3ccccc3[nH]2)cn1 ZINC000181490432 329233575 /nfs/dbraw/zinc/23/35/75/329233575.db2.gz LOWGCVSJMMJMSU-GFCCVEGCSA-N 0 1 293.330 2.659 20 30 CFEDMN CCCn1cc(C(=O)C(C#N)c2nc3ccccc3[nH]2)cn1 ZINC000181490432 329233576 /nfs/dbraw/zinc/23/35/76/329233576.db2.gz LOWGCVSJMMJMSU-GFCCVEGCSA-N 0 1 293.330 2.659 20 30 CFEDMN CCc1ccc(C(=O)C(C#N)c2ccccn2)c(C)n1 ZINC000184550920 329259644 /nfs/dbraw/zinc/25/96/44/329259644.db2.gz ILEDMNBXAGRHKF-CQSZACIVSA-N 0 1 265.316 2.838 20 30 CFEDMN CN(CCC#N)Cc1nc2ccc(Br)cc2[nH]1 ZINC000184979734 329266058 /nfs/dbraw/zinc/26/60/58/329266058.db2.gz SQIVJVJJZXCICL-UHFFFAOYSA-N 0 1 293.168 2.671 20 30 CFEDMN CC[C@@H](CC#N)NCCC(=O)N[C@@H]1CCCc2ccccc21 ZINC000582853632 329280356 /nfs/dbraw/zinc/28/03/56/329280356.db2.gz BWDSYLFPVMUKEY-DOTOQJQBSA-N 0 1 299.418 2.852 20 30 CFEDMN CN(C)c1ncc(CNCc2ccc(CC#N)cc2)s1 ZINC000583203599 329362850 /nfs/dbraw/zinc/36/28/50/329362850.db2.gz MISQQSIAJQUNCJ-UHFFFAOYSA-N 0 1 286.404 2.565 20 30 CFEDMN C[C@H](C(=O)N(CCC#N)c1ccccc1)N1C2CCC1CC2 ZINC000532915596 329421778 /nfs/dbraw/zinc/42/17/78/329421778.db2.gz CKZNVDHWKBEHQU-ODIFPOPNSA-N 0 1 297.402 2.949 20 30 CFEDMN C=C(Cl)CNCc1c[nH]nc1-c1cccs1 ZINC000124499570 329570969 /nfs/dbraw/zinc/57/09/69/329570969.db2.gz FLRNINQIJCGJPS-UHFFFAOYSA-N 0 1 253.758 2.980 20 30 CFEDMN C=CCN1CC[C@H](N[C@H](CC(F)F)c2ccccc2)C1=O ZINC000420990645 329795836 /nfs/dbraw/zinc/79/58/36/329795836.db2.gz GALCUTFEZRHVBE-UONOGXRCSA-N 0 1 294.345 2.759 20 30 CFEDMN COc1cccc([C@H]2C[C@H](NC[C@H](C#N)CCC#N)C2)c1 ZINC000572264714 329962608 /nfs/dbraw/zinc/96/26/08/329962608.db2.gz KSPSJPTYDJJDLD-BPUTZDHNSA-N 0 1 283.375 2.974 20 30 CFEDMN C=CC[N@@H+](Cc1cccs1)CC1(CC(=O)[O-])CC1 ZINC000572370608 330010317 /nfs/dbraw/zinc/01/03/17/330010317.db2.gz XQFRLEYWSZDGGR-UHFFFAOYSA-N 0 1 265.378 2.991 20 30 CFEDMN C=CCOc1cccc(C[N@H+]2C[C@@H](C)C[C@H](C(=O)[O-])C2)c1 ZINC000263077846 330042395 /nfs/dbraw/zinc/04/23/95/330042395.db2.gz RARDBJJEANQDEU-ZFWWWQNUSA-N 0 1 289.375 2.794 20 30 CFEDMN C=CCOc1cccc(C[N@@H+]2CC[C@](C)(C(=O)[O-])C2)c1 ZINC000263536542 330059161 /nfs/dbraw/zinc/05/91/61/330059161.db2.gz ZNFRNWCMOOXWOE-INIZCTEOSA-N 0 1 275.348 2.548 20 30 CFEDMN C=CCCCNC(=O)NC[C@@H](c1ccc(F)cc1)N(C)C ZINC000279559176 330123694 /nfs/dbraw/zinc/12/36/94/330123694.db2.gz NGTQVHUHZIDENX-HNNXBMFYSA-N 0 1 293.386 2.694 20 30 CFEDMN C=CCC[C@@H](C)N[C@H](C)c1ncc(C(=O)OC)s1 ZINC000424322690 330340459 /nfs/dbraw/zinc/34/04/59/330340459.db2.gz ILAHWABMKWELIR-NXEZZACHSA-N 0 1 268.382 2.935 20 30 CFEDMN C=CCCO[C@@H](C)c1nc(C2(N)CCCCC2)no1 ZINC000424340393 330344043 /nfs/dbraw/zinc/34/40/43/330344043.db2.gz GUKBALRPMPVZNH-NSHDSACASA-N 0 1 265.357 2.841 20 30 CFEDMN C=C(C)COCCNCc1cnc(C(F)(F)F)s1 ZINC000443992973 330808713 /nfs/dbraw/zinc/80/87/13/330808713.db2.gz ZAOHTRSLUXYNHF-UHFFFAOYSA-N 0 1 280.315 2.844 20 30 CFEDMN C=C(C)CN(CC[C@H](C)O)Cc1cnn(C(C)C)c1 ZINC000450980494 331009890 /nfs/dbraw/zinc/00/98/90/331009890.db2.gz FGDPZXACSLKSFY-AWEZNQCLSA-N 0 1 265.401 2.613 20 30 CFEDMN C=C(C)CS(=O)(=O)Nc1scnc1C(C)C ZINC000451102025 331015495 /nfs/dbraw/zinc/01/54/95/331015495.db2.gz HEKJFBAXSVVXNP-UHFFFAOYSA-N 0 1 260.384 2.584 20 30 CFEDMN C=C(C)CCNC(=O)[C@H](CC)N(C)Cc1ccccc1 ZINC000452715520 331072864 /nfs/dbraw/zinc/07/28/64/331072864.db2.gz DBTICJODCLEFNU-INIZCTEOSA-N 0 1 274.408 2.979 20 30 CFEDMN C=C(CC)CN[C@H](C)CS(=O)(=O)c1ccc(C)cc1 ZINC000453368350 331123702 /nfs/dbraw/zinc/12/37/02/331123702.db2.gz QFROTRNYXUZBHE-CQSZACIVSA-N 0 1 281.421 2.713 20 30 CFEDMN C=C(CC)CNC(=O)N1CCC[C@@H](c2cc(C)[nH]n2)C1 ZINC000455537261 331172652 /nfs/dbraw/zinc/17/26/52/331172652.db2.gz MITJNXAIMOGHHV-CYBMUJFWSA-N 0 1 276.384 2.573 20 30 CFEDMN C=CCC(CC=C)C(=O)N1CCN(CC)C[C@@H]1CC ZINC000456390072 331191922 /nfs/dbraw/zinc/19/19/22/331191922.db2.gz VHEJITTYCAMOBD-HNNXBMFYSA-N 0 1 264.413 2.698 20 30 CFEDMN C=C(C)C[C@@H](C)C(=O)N1CCN(CC)C[C@H]1CC ZINC000456387002 331191938 /nfs/dbraw/zinc/19/19/38/331191938.db2.gz SDJWDOVEUIFHLH-ZIAGYGMSSA-N 0 1 252.402 2.531 20 30 CFEDMN C=CCC1(NC(=O)c2[nH]nc3c2CCC3)CCCCC1 ZINC000456385823 331192006 /nfs/dbraw/zinc/19/20/06/331192006.db2.gz SEPQTIZHKVHEKA-UHFFFAOYSA-N 0 1 273.380 2.907 20 30 CFEDMN C=CCC1(CNC(=O)c2ccc3[nH]nnc3c2)CCCC1 ZINC000456485248 331193813 /nfs/dbraw/zinc/19/38/13/331193813.db2.gz LDDRZLCQKPOYFX-UHFFFAOYSA-N 0 1 284.363 2.824 20 30 CFEDMN C=C[C@@](C)(CC)C(=O)NC[C@H](c1nc[nH]n1)c1ccccc1 ZINC000456690970 331198928 /nfs/dbraw/zinc/19/89/28/331198928.db2.gz LDKGXPGRWINYHY-YOEHRIQHSA-N 0 1 298.390 2.655 20 30 CFEDMN C=CCCCN1CCN(c2ccc(C(=O)OC)s2)CC1 ZINC000459509313 331285333 /nfs/dbraw/zinc/28/53/33/331285333.db2.gz KDLCFKDRFCKQSY-UHFFFAOYSA-N 0 1 294.420 2.623 20 30 CFEDMN CC(C)(C)OC(=O)[C@]1(C)CCN(CC2(C#N)CCC2)C1 ZINC000459564363 331288061 /nfs/dbraw/zinc/28/80/61/331288061.db2.gz QTMRBNJMALYVMU-OAHLLOKOSA-N 0 1 278.396 2.734 20 30 CFEDMN CC(C)(C)OC(=O)C1CN(CC(C)(C)CCC#N)C1 ZINC000459599950 331290184 /nfs/dbraw/zinc/29/01/84/331290184.db2.gz ZCBIGTMZXGQZRW-UHFFFAOYSA-N 0 1 266.385 2.590 20 30 CFEDMN CC(C)(CC#N)CNCc1nccn1Cc1ccccc1 ZINC000459728113 331296256 /nfs/dbraw/zinc/29/62/56/331296256.db2.gz HVRJKJFKWWNKMI-UHFFFAOYSA-N 0 1 282.391 2.961 20 30 CFEDMN C=CCCCCCN1CCC(S(=O)(=O)CC)CC1 ZINC000193584248 333253545 /nfs/dbraw/zinc/25/35/45/333253545.db2.gz OEKNFCSTPIUFGC-UHFFFAOYSA-N 0 1 273.442 2.632 20 30 CFEDMN C=CCn1cccc1C(=O)NCc1nc2cccc(C)c2[nH]1 ZINC000488838430 332028435 /nfs/dbraw/zinc/02/84/35/332028435.db2.gz ZWGYHFDVGXHCHZ-UHFFFAOYSA-N 0 1 294.358 2.789 20 30 CFEDMN C=C[C@H]1CCCCN1Cc1cccc(C(=O)NC)c1 ZINC000489471033 332054432 /nfs/dbraw/zinc/05/44/32/332054432.db2.gz DBVFWPMVUWOSBV-HNNXBMFYSA-N 0 1 258.365 2.587 20 30 CFEDMN C=C[C@H]1CCCCN1CC(=O)N[C@H](C)c1ccccc1 ZINC000489502600 332056962 /nfs/dbraw/zinc/05/69/62/332056962.db2.gz YYAMWTLYIIMZPZ-ZBFHGGJFSA-N 0 1 272.392 2.904 20 30 CFEDMN C=C[C@@H]1CCCCN1CCCCCS(=O)(=O)CC ZINC000489513523 332057608 /nfs/dbraw/zinc/05/76/08/332057608.db2.gz POLUQCZATKBFKY-CQSZACIVSA-N 0 1 273.442 2.632 20 30 CFEDMN C#CCN1CCC(C(=O)N([C@@H](C)[C@H](C)CC)C2CC2)CC1 ZINC000490616096 332095225 /nfs/dbraw/zinc/09/52/25/332095225.db2.gz IGKULSLRCNWEAI-CABCVRRESA-N 0 1 290.451 2.757 20 30 CFEDMN C#CCN(Cn1cc(-c2ccncn2)cn1)C1CCCCC1 ZINC000491404384 332205542 /nfs/dbraw/zinc/20/55/42/332205542.db2.gz BKMIVNADYOGCJD-UHFFFAOYSA-N 0 1 295.390 2.566 20 30 CFEDMN C#C[C@H](NCc1c(C(C)C)nc2sc(C)nn12)C(C)C ZINC000491623877 332248206 /nfs/dbraw/zinc/24/82/06/332248206.db2.gz GJOIHOUYCMZGQD-LBPRGKRZSA-N 0 1 290.436 2.970 20 30 CFEDMN C#CCN1CCC(C(=O)OCC/C=C\c2ccccc2)CC1 ZINC000491631780 332254002 /nfs/dbraw/zinc/25/40/02/332254002.db2.gz RPMRZXPZPMPOKJ-POHAHGRESA-N 0 1 297.398 2.978 20 30 CFEDMN C#CCN(Cc1ccnc(N)c1)[C@H]1CCc2ccccc21 ZINC000491636802 332257652 /nfs/dbraw/zinc/25/76/52/332257652.db2.gz UBVYOKINGAKHNC-KRWDZBQOSA-N 0 1 277.371 2.617 20 30 CFEDMN C#C[C@@H](CC)NCc1cnn(-c2ccc(F)cc2)c1 ZINC000491647408 332264065 /nfs/dbraw/zinc/26/40/65/332264065.db2.gz XGGDRQOSNXFSBM-AWEZNQCLSA-N 0 1 257.312 2.513 20 30 CFEDMN C#CCN1CCC(C(=O)N(c2ccccc2)[C@@H]2C[C@H]2C)CC1 ZINC000491678144 332282642 /nfs/dbraw/zinc/28/26/42/332282642.db2.gz SGZFUZMYTDZQPE-CRAIPNDOSA-N 0 1 296.414 2.773 20 30 CFEDMN N#CCc1ccc(CN2CCO[C@@H]3CCC[C@H]32)cc1 ZINC000335990165 335099371 /nfs/dbraw/zinc/09/93/71/335099371.db2.gz NAHRHRCWGULYTH-HZPDHXFCSA-N 0 1 256.349 2.506 20 30 CFEDMN C#C[C@H](C)N(C)Cc1cn(C)nc1-c1ccccc1 ZINC000491730876 332312764 /nfs/dbraw/zinc/31/27/64/332312764.db2.gz LQCMLFPXIOBDEE-ZDUSSCGKSA-N 0 1 253.349 2.541 20 30 CFEDMN C#C[C@H](C)N(C)Cc1c[nH]nc1-c1c(F)cccc1F ZINC000491754008 332329254 /nfs/dbraw/zinc/32/92/54/332329254.db2.gz QYHFOFIAGUSVPO-JTQLQIEISA-N 0 1 275.302 2.808 20 30 CFEDMN C#C[C@@H](CC)NCc1cnc(-c2ccccc2)nc1 ZINC000491770086 332337026 /nfs/dbraw/zinc/33/70/26/332337026.db2.gz OREZAJFJRKIIED-HNNXBMFYSA-N 0 1 251.333 2.645 20 30 CFEDMN C=CCCCCCN(C)C(=O)[C@H](C)Cc1cnc[nH]1 ZINC000575427938 335103011 /nfs/dbraw/zinc/10/30/11/335103011.db2.gz GDKCKYNZQXKXPC-CYBMUJFWSA-N 0 1 263.385 2.793 20 30 CFEDMN C[C@H](CN1CCC(C)(C#N)CC1)NC(=O)OC(C)(C)C ZINC000492258333 332389538 /nfs/dbraw/zinc/38/95/38/332389538.db2.gz LWHRQSHOMAGGDU-GFCCVEGCSA-N 0 1 281.400 2.525 20 30 CFEDMN C[C@@H]1CCCC[C@]1(CNC(=O)OC(C)(C)C)NCCC#N ZINC000495982950 332535354 /nfs/dbraw/zinc/53/53/54/332535354.db2.gz POBPESNBYXFYSG-CZUORRHYSA-N 0 1 295.427 2.963 20 30 CFEDMN CCC1(CC)CN(CC(C)(C)CCC#N)CC[S@@]1=O ZINC000187562443 333172258 /nfs/dbraw/zinc/17/22/58/333172258.db2.gz OGCNVTDVENIJMO-IBGZPJMESA-N 0 1 284.469 2.939 20 30 CFEDMN Cc1csc([C@H](C#N)C(=O)c2ccnn2C(F)F)n1 ZINC000522014524 333230220 /nfs/dbraw/zinc/23/02/20/333230220.db2.gz NWWAGQHLKYWGPW-SSDOTTSWSA-N 0 1 282.275 2.533 20 30 CFEDMN Cc1csc(C(C#N)C(=O)c2ccnn2C(F)F)n1 ZINC000522014524 333230221 /nfs/dbraw/zinc/23/02/21/333230221.db2.gz NWWAGQHLKYWGPW-SSDOTTSWSA-N 0 1 282.275 2.533 20 30 CFEDMN COc1ccccc1OCCN1CCC(C)(C#N)CC1 ZINC000227354593 333281488 /nfs/dbraw/zinc/28/14/88/333281488.db2.gz JPEPFBJVXUERLR-UHFFFAOYSA-N 0 1 274.364 2.700 20 30 CFEDMN CC1(C#N)CCN(C(=O)c2ccc(O)c(Cl)c2)CC1 ZINC000227519416 333284595 /nfs/dbraw/zinc/28/45/95/333284595.db2.gz WAVUOHBDLJRJHQ-UHFFFAOYSA-N 0 1 278.739 2.811 20 30 CFEDMN N#CCCCOc1cccc(CN2CCSCC2)c1 ZINC000126186470 333593490 /nfs/dbraw/zinc/59/34/90/333593490.db2.gz QFUQQZBCOYRPRP-UHFFFAOYSA-N 0 1 276.405 2.918 20 30 CFEDMN CC(C)(C#N)CCN1CCC([C@@H](O)C(F)(F)F)CC1 ZINC000540664901 333740953 /nfs/dbraw/zinc/74/09/53/333740953.db2.gz ASOKXARKNQVCPA-LLVKDONJSA-N 0 1 278.318 2.561 20 30 CFEDMN Cc1ccccc1CNC(=O)[C@@H](C)N1CCC(CC#N)CC1 ZINC000541019224 333759258 /nfs/dbraw/zinc/75/92/58/333759258.db2.gz CLRSWXZSCDUXCM-OAHLLOKOSA-N 0 1 299.418 2.625 20 30 CFEDMN CCOC(=O)[C@H](CC(C)C)N1CCC(CC#N)CC1 ZINC000542049443 333808687 /nfs/dbraw/zinc/80/86/87/333808687.db2.gz HEYSXBKBOQJFQS-AWEZNQCLSA-N 0 1 266.385 2.590 20 30 CFEDMN C[C@@H]1CCC[C@@H](NC(=O)CN2CCC(CC#N)CC2)[C@H]1C ZINC000542878556 333847298 /nfs/dbraw/zinc/84/72/98/333847298.db2.gz GFGAOMARDWNMLI-IJEWVQPXSA-N 0 1 291.439 2.553 20 30 CFEDMN N#CCCCNCc1cnc(-c2ccccc2)nc1 ZINC000543236783 333865727 /nfs/dbraw/zinc/86/57/27/333865727.db2.gz BGWPQHCCSOURDY-UHFFFAOYSA-N 0 1 252.321 2.537 20 30 CFEDMN C[C@@H]1CCCN(CC#Cc2cccc(Cl)c2)[C@@H]1CO ZINC000132841218 334007455 /nfs/dbraw/zinc/00/74/55/334007455.db2.gz FQXIFPCJQDIZJO-CZUORRHYSA-N 0 1 277.795 2.784 20 30 CFEDMN CC[C@H](CC#N)N[C@@H](C)CC(=O)Nc1cccc(C)c1 ZINC000547287129 334076058 /nfs/dbraw/zinc/07/60/58/334076058.db2.gz BZRVRTFUQDLVBG-UONOGXRCSA-N 0 1 273.380 2.994 20 30 CFEDMN C[C@H](C(=O)N(C)C1(C#N)CCC(C)CC1)[N@@H+](C)CC1CC1 ZINC000077194718 334098005 /nfs/dbraw/zinc/09/80/05/334098005.db2.gz RTYVWRKRKXSXPT-XOYHFGRZSA-N 0 1 291.439 2.648 20 30 CFEDMN CN(Cc1cnn(C)c1)Cc1ccccc1C(C)(C)C#N ZINC000135104538 334115597 /nfs/dbraw/zinc/11/55/97/334115597.db2.gz HYLZDVPKNCYGRW-UHFFFAOYSA-N 0 1 282.391 2.853 20 30 CFEDMN C[C@](O)(C1CCN([C@@H]2CC[C@@H](C#N)C2)CC1)C(F)(F)F ZINC000549939059 334210016 /nfs/dbraw/zinc/21/00/16/334210016.db2.gz UBEMBYAMSNYXHX-RTXFEEFZSA-N 0 1 290.329 2.704 20 30 CFEDMN C[C@@H](NCC1(CC#N)CC1)c1cn2ccccc2n1 ZINC000550930944 334233942 /nfs/dbraw/zinc/23/39/42/334233942.db2.gz NSMWQGMUIKMOTE-GFCCVEGCSA-N 0 1 254.337 2.679 20 30 CFEDMN CCO[C@@H]1C[C@@H]1N[C@@H](CCC#N)c1ccc(OC)cc1 ZINC000572587964 334764880 /nfs/dbraw/zinc/76/48/80/334764880.db2.gz DLAUOJQKVIHDAR-HRCADAONSA-N 0 1 274.364 2.807 20 30 CFEDMN CCc1nnc(CNCC(C)(C)CCC#N)s1 ZINC000353159258 335748685 /nfs/dbraw/zinc/74/86/85/335748685.db2.gz YBJMFODCIGDANE-UHFFFAOYSA-N 0 1 252.387 2.520 20 30 CFEDMN C=C[C@@H]1OCCC[C@H]1c1nc(C2(N)CCCCC2)no1 ZINC000581720626 336136882 /nfs/dbraw/zinc/13/68/82/336136882.db2.gz ACGSDSPUXOWAPI-NEPJUHHUSA-N 0 1 277.368 2.636 20 30 CFEDMN Cc1c(C#N)cccc1-c1nc([C@H](N)CC(C)C)no1 ZINC000414617347 533715422 /nfs/dbraw/zinc/71/54/22/533715422.db2.gz LFONRMRHKGVUIF-CYBMUJFWSA-N 0 1 270.336 2.963 20 30 CFEDMN C=C(C)CN1CC[C@H]1CN(C)C(=O)[C@H]1CCC(F)(F)C1 ZINC001085633624 782123333 /nfs/dbraw/zinc/12/33/33/782123333.db2.gz WRJSNQURSNIKKQ-STQMWFEESA-N 0 1 286.366 2.531 20 30 CFEDMN C=C(C)CN1CC[C@@H]1CN(C)C(=O)C12CCC(CC1)C2 ZINC001085674255 782132019 /nfs/dbraw/zinc/13/20/19/782132019.db2.gz QIZXHAIEJYVXBZ-ISXOHVOVSA-N 0 1 276.424 2.676 20 30 CFEDMN C=CCN1CC[C@H]1CN(C)C(=O)c1cn(C)c2ccccc12 ZINC001085704224 782135724 /nfs/dbraw/zinc/13/57/24/782135724.db2.gz KIFJWRNDXLYEJW-AWEZNQCLSA-N 0 1 297.402 2.511 20 30 CFEDMN N#Cc1ccc(-c2ccc(O)c(F)c2F)nc1F ZINC001243338311 782141609 /nfs/dbraw/zinc/14/16/09/782141609.db2.gz CBDPLPSASIXUQM-UHFFFAOYSA-N 0 1 250.179 2.743 20 30 CFEDMN Cc1cnc(-c2ccc(O)c(F)c2F)c(/C=N/O)c1 ZINC001243341051 782146068 /nfs/dbraw/zinc/14/60/68/782146068.db2.gz YOERCJGYBGDALR-UBKPWBPPSA-N 0 1 264.231 2.849 20 30 CFEDMN C=CCCCCCN(C)CN1CC(C)(C)OC1=O ZINC000755751769 574184069 /nfs/dbraw/zinc/18/40/69/574184069.db2.gz YQFCQDJXEIYTQR-UHFFFAOYSA-N 0 1 254.374 2.853 20 30 CFEDMN C[C@H](C#N)C(=O)Nc1nc(-c2ccc(C(C)(C)C)cc2)n[nH]1 ZINC000347061257 534286309 /nfs/dbraw/zinc/28/63/09/534286309.db2.gz DXFFGPLKBLVBHE-SNVBAGLBSA-N 0 1 297.362 2.867 20 30 CFEDMN CC(=O)Nc1ccc(CNCc2ccc(C#N)cc2F)cc1 ZINC000236797020 519717400 /nfs/dbraw/zinc/71/74/00/519717400.db2.gz FLXGTRUAFMCINV-UHFFFAOYSA-N 0 1 297.333 2.946 20 30 CFEDMN CC(C)CO[C@H]1CCN(Cc2ccc(C#N)c(F)c2)C1 ZINC000192070940 519761595 /nfs/dbraw/zinc/76/15/95/519761595.db2.gz KOUHTFWWJSYNGS-HNNXBMFYSA-N 0 1 276.355 2.944 20 30 CFEDMN Cc1noc([C@@H]2CCCN2CCCC(C)(C)C#N)n1 ZINC000353571584 534452323 /nfs/dbraw/zinc/45/23/23/534452323.db2.gz HXVJRXVRQZJNSX-LBPRGKRZSA-N 0 1 262.357 2.845 20 30 CFEDMN Cc1ccc2[nH]c(CN[C@H]3CC[C@H](C#N)C3)nc2c1 ZINC000336170647 534505063 /nfs/dbraw/zinc/50/50/63/534505063.db2.gz UXMFSFTVROTGSE-RYUDHWBXSA-N 0 1 254.337 2.653 20 30 CFEDMN Cc1ccc2nc(CN[C@H]3CC[C@H](C#N)C3)[nH]c2c1 ZINC000336170647 534505068 /nfs/dbraw/zinc/50/50/68/534505068.db2.gz UXMFSFTVROTGSE-RYUDHWBXSA-N 0 1 254.337 2.653 20 30 CFEDMN CCN(Cc1ccc(C#N)c(OC)c1)Cc1ccccn1 ZINC000233463279 521300234 /nfs/dbraw/zinc/30/02/34/521300234.db2.gz WGWGFFAKEITZIO-UHFFFAOYSA-N 0 1 281.359 2.984 20 30 CFEDMN CO[C@]1(C)CCCN(Cc2cc(C#N)ccc2F)C1 ZINC000230264963 521751486 /nfs/dbraw/zinc/75/14/86/521751486.db2.gz URRXJPYZVGKAEH-OAHLLOKOSA-N 0 1 262.328 2.698 20 30 CFEDMN COCC1CCN(Cc2ccc(C#N)c(F)c2)CC1 ZINC000192022636 522935512 /nfs/dbraw/zinc/93/55/12/522935512.db2.gz YOROHZVTMYHETI-UHFFFAOYSA-N 0 1 262.328 2.556 20 30 CFEDMN CN(CCc1ccccn1)Cc1cccc(C#N)c1F ZINC000223568944 522966809 /nfs/dbraw/zinc/96/68/09/522966809.db2.gz HWIPVCHQTIBQRP-UHFFFAOYSA-N 0 1 269.323 2.767 20 30 CFEDMN COCCCN(C)Cc1ncc(-c2ccc(C#N)cc2)o1 ZINC000159689515 523229105 /nfs/dbraw/zinc/22/91/05/523229105.db2.gz RRPINHBORUKPKN-UHFFFAOYSA-N 0 1 285.347 2.682 20 30 CFEDMN CN(Cc1ccc(Cl)cc1C#N)CC1(O)CCC1 ZINC000360336639 523230329 /nfs/dbraw/zinc/23/03/29/523230329.db2.gz KLSUOBFLVHMXOF-UHFFFAOYSA-N 0 1 264.756 2.558 20 30 CFEDMN CN(Cc1cccc(C#N)c1F)[C@@H]1CCSC1 ZINC000223568549 523296510 /nfs/dbraw/zinc/29/65/10/523296510.db2.gz HQAONJHKTDULKH-GFCCVEGCSA-N 0 1 250.342 2.635 20 30 CFEDMN CN(Cc1cccc(C#N)c1F)[C@H]1CCSC1 ZINC000223568606 523297291 /nfs/dbraw/zinc/29/72/91/523297291.db2.gz HQAONJHKTDULKH-LBPRGKRZSA-N 0 1 250.342 2.635 20 30 CFEDMN CC[C@H](C)N1CCN(c2nc3c(cc2C#N)CCCC3)CC1 ZINC000316017935 523961607 /nfs/dbraw/zinc/96/16/07/523961607.db2.gz XMFILNJQCRCTSB-AWEZNQCLSA-N 0 1 298.434 2.753 20 30 CFEDMN CO[C@H]1CCCN(Cc2cc(F)ccc2C#N)CC1 ZINC000363682886 523973025 /nfs/dbraw/zinc/97/30/25/523973025.db2.gz BEHYLTUEUDFWQI-HNNXBMFYSA-N 0 1 262.328 2.698 20 30 CFEDMN CO[C@H]1CCN(Cc2cn3ccccc3c2C#N)C[C@@H]1C ZINC000336276076 523996792 /nfs/dbraw/zinc/99/67/92/523996792.db2.gz GWESALMFZHREGO-GUYCJALGSA-N 0 1 283.375 2.668 20 30 CFEDMN CO[C@H]1CCN(Cc2ccc(C#N)c(F)c2)C[C@H]1C ZINC000336257629 523997632 /nfs/dbraw/zinc/99/76/32/523997632.db2.gz QLVPLUYBOVXRSV-ABAIWWIYSA-N 0 1 262.328 2.554 20 30 CFEDMN N#Cc1csc(CNCC2(c3ccc(F)cc3)CC2)n1 ZINC000352843348 534829823 /nfs/dbraw/zinc/82/98/23/534829823.db2.gz ZASRVTUPCPCBMS-UHFFFAOYSA-N 0 1 287.363 2.975 20 30 CFEDMN C[C@H](NCc1ccccc1OCCO)c1cccc(C#N)c1 ZINC000305758256 525466328 /nfs/dbraw/zinc/46/63/28/525466328.db2.gz AZNFEMIMOVYREL-AWEZNQCLSA-N 0 1 296.370 2.780 20 30 CFEDMN Cc1cc([C@H]2CCCN(c3ccc(C#N)cc3)C2)[nH]n1 ZINC000336167678 525542439 /nfs/dbraw/zinc/54/24/39/525542439.db2.gz OYQJNLQCNSWDPK-AWEZNQCLSA-N 0 1 266.348 2.974 20 30 CFEDMN C[C@H](N[C@H](CO)c1ccccc1)c1ccc(C#N)cc1 ZINC000062999327 525595241 /nfs/dbraw/zinc/59/52/41/525595241.db2.gz ZPLVGNKTBULJGI-SUMWQHHRSA-N 0 1 266.344 2.942 20 30 CFEDMN Cc1cc2n[nH]cc2cc1NC(=O)c1ccc(C#N)c(O)c1 ZINC000360459248 525665561 /nfs/dbraw/zinc/66/55/61/525665561.db2.gz KDRLKBNYSIJQOL-UHFFFAOYSA-N 0 1 292.298 2.701 20 30 CFEDMN Cc1cc(C#N)cc(NC(=O)c2cn[nH]c2C2CC2)c1 ZINC000335111145 526185443 /nfs/dbraw/zinc/18/54/43/526185443.db2.gz FBBOSBHLAVZTPR-UHFFFAOYSA-N 0 1 266.304 2.720 20 30 CFEDMN CC#CCN(Cc1cccs1)[C@@H]1C=C[C@@H](CO)C1 ZINC000347339656 526362577 /nfs/dbraw/zinc/36/25/77/526362577.db2.gz MQDGQHVLNDOQQG-ZIAGYGMSSA-N 0 1 261.390 2.510 20 30 CFEDMN C=CCNC(=O)CN[C@H](CC)c1cc(Cl)ccc1OC ZINC000347347589 526572896 /nfs/dbraw/zinc/57/28/96/526572896.db2.gz UPQCDSSVQAEQIF-CYBMUJFWSA-N 0 1 296.798 2.692 20 30 CFEDMN N#Cc1ccc(C2=CCN(CCOCC(F)F)CC2)cc1 ZINC000364999703 526605378 /nfs/dbraw/zinc/60/53/78/526605378.db2.gz NKGXLAQDRQAWDD-UHFFFAOYSA-N 0 1 292.329 2.929 20 30 CFEDMN N#Cc1ccc(CN2CCC[C@@H]2CCO)c(Cl)c1 ZINC000310637626 526612181 /nfs/dbraw/zinc/61/21/81/526612181.db2.gz ROJQXOQAFPZJOK-CYBMUJFWSA-N 0 1 264.756 2.558 20 30 CFEDMN N#Cc1ccc(CN2CCC[C@@]3(CCOC3)C2)c(F)c1 ZINC000336225037 526612428 /nfs/dbraw/zinc/61/24/28/526612428.db2.gz YOANWBALECKAIL-MRXNPFEDSA-N 0 1 274.339 2.700 20 30 CFEDMN N#Cc1ccc(CN2CCCC[C@@H]2CCO)c(Cl)c1 ZINC000162860129 526612556 /nfs/dbraw/zinc/61/25/56/526612556.db2.gz MUVBSJUSEXCJEZ-CQSZACIVSA-N 0 1 278.783 2.949 20 30 CFEDMN N#Cc1ccc(F)cc1CN1CCC[C@@H]1[C@H]1CCC[C@@H]1O ZINC000300458152 526640480 /nfs/dbraw/zinc/64/04/80/526640480.db2.gz VMVQCINUYLDVQF-ZACQAIPSSA-N 0 1 288.366 2.823 20 30 CFEDMN Cc1noc([C@H]2CCCN(Cc3ccccc3C#N)C2)n1 ZINC000054676585 526669179 /nfs/dbraw/zinc/66/91/79/526669179.db2.gz IOUGQKSKQJQMGC-HNNXBMFYSA-N 0 1 282.347 2.629 20 30 CFEDMN N#Cc1cccc(CN2CCCC[C@H]2C2(O)CC2)c1F ZINC000334791770 526703371 /nfs/dbraw/zinc/70/33/71/526703371.db2.gz AAQQINYNFCPHSU-AWEZNQCLSA-N 0 1 274.339 2.577 20 30 CFEDMN N#Cc1cccc(CN2CC[C@H](O)CC23CCC3)c1F ZINC000334970572 526705040 /nfs/dbraw/zinc/70/50/40/526705040.db2.gz ZXBFZMYPWUOFBW-AWEZNQCLSA-N 0 1 274.339 2.577 20 30 CFEDMN N#Cc1cccc(Sc2nc(-c3ccccc3)n[nH]2)n1 ZINC000339214620 526732862 /nfs/dbraw/zinc/73/28/62/526732862.db2.gz JHAYGWVTINKGGO-UHFFFAOYSA-N 0 1 279.328 2.890 20 30 CFEDMN C=CCOCCCN(C)CC(=O)Nc1cccc(C)c1C ZINC000347961136 526746814 /nfs/dbraw/zinc/74/68/14/526746814.db2.gz GXKBRJRGMJVESP-UHFFFAOYSA-N 0 1 290.407 2.766 20 30 CFEDMN CC(C)(C)c1cn2c(n1)CC[C@H]([NH+]=C([O-])NC1CCC1)C2 ZINC000329257949 526813568 /nfs/dbraw/zinc/81/35/68/526813568.db2.gz FDGOKAPQHVYLFY-LBPRGKRZSA-N 0 1 290.411 2.552 20 30 CFEDMN CC(C)(C)c1cn2c(n1)CC[C@H](NC([O-])=[NH+]C1CCC1)C2 ZINC000329257949 526813574 /nfs/dbraw/zinc/81/35/74/526813574.db2.gz FDGOKAPQHVYLFY-LBPRGKRZSA-N 0 1 290.411 2.552 20 30 CFEDMN C=C1CCN(Cc2ccc(OCC(=O)OCC)cc2)CC1 ZINC000353307880 526904704 /nfs/dbraw/zinc/90/47/04/526904704.db2.gz MENYTKCFHAHRHP-UHFFFAOYSA-N 0 1 289.375 2.781 20 30 CFEDMN C=CCOc1ccccc1C(=O)C(C#N)c1ccncn1 ZINC000354469324 526929633 /nfs/dbraw/zinc/92/96/33/526929633.db2.gz QOAABFTYEGLEIX-CYBMUJFWSA-N 0 1 279.299 2.531 20 30 CFEDMN C#CCN1CCC(c2nc(-c3cccc(F)c3)no2)CC1 ZINC000109604636 526937281 /nfs/dbraw/zinc/93/72/81/526937281.db2.gz UTIYTPTZCWFRCB-UHFFFAOYSA-N 0 1 285.322 2.688 20 30 CFEDMN C=CCC(CC=C)C(=O)N1[C@H](C)CN(CC)C[C@@H]1C ZINC000344470116 527026361 /nfs/dbraw/zinc/02/63/61/527026361.db2.gz VKLOYAKRHXSNCV-OKILXGFUSA-N 0 1 264.413 2.696 20 30 CFEDMN C=CC[C@@H](CC)NS(=O)(=O)c1c(F)cc(F)cc1F ZINC000353168969 527053923 /nfs/dbraw/zinc/05/39/23/527053923.db2.gz NMGQVNVPYJGXEW-SECBINFHSA-N 0 1 293.310 2.737 20 30 CFEDMN Cn1cc(CN2CCC[C@@H](Oc3ccccc3)C2)cc1C#N ZINC000364844239 527201359 /nfs/dbraw/zinc/20/13/59/527201359.db2.gz PQHQSTLDHYJZKW-GOSISDBHSA-N 0 1 295.386 2.940 20 30 CFEDMN C=CCCC[C@H](C)NC(=O)c1csc(=NC2CC2)[nH]1 ZINC000345024544 527295218 /nfs/dbraw/zinc/29/52/18/527295218.db2.gz IUKUDVZVDCHAST-JTQLQIEISA-N 0 1 279.409 2.614 20 30 CFEDMN CC(C)n1nccc1CNCc1ccc(C#N)c(F)c1 ZINC000404672579 528678215 /nfs/dbraw/zinc/67/82/15/528678215.db2.gz DGYOZZBBWRDVFO-UHFFFAOYSA-N 0 1 272.327 2.765 20 30 CFEDMN CC1(C#N)CCC(NCc2nnc(C3CC3)s2)CC1 ZINC000333908497 528833329 /nfs/dbraw/zinc/83/33/29/528833329.db2.gz DKEHDYWKFUSKSP-UHFFFAOYSA-N 0 1 276.409 2.978 20 30 CFEDMN CCC(CC)n1nc(C)cc1C(=O)C(C#N)c1ccncn1 ZINC000354464808 528906528 /nfs/dbraw/zinc/90/65/28/528906528.db2.gz JHHFDOAZGSNNJY-ZDUSSCGKSA-N 0 1 297.362 2.833 20 30 CFEDMN CC(C)N1CCC[C@@H](N(C)[C@@H](C)c2cccc(C#N)c2)C1=O ZINC000425532187 529016546 /nfs/dbraw/zinc/01/65/46/529016546.db2.gz INFQULYAMDEJPV-WMLDXEAASA-N 0 1 299.418 2.950 20 30 CFEDMN CCC1(C)CCN(C([O-])=[NH+][C@H]2CCn3ccnc3C2)CC1 ZINC000330276763 529017495 /nfs/dbraw/zinc/01/74/95/529017495.db2.gz NJJHMCZBPNMADY-ZDUSSCGKSA-N 0 1 290.411 2.624 20 30 CFEDMN CC[C@H](C)c1nc([C@H](C)NC(=O)[C@@H]2C[C@@]23CCOC3)n[nH]1 ZINC000330201585 529276906 /nfs/dbraw/zinc/27/69/06/529276906.db2.gz XZZDWLDATOUUJO-USXUVBGUSA-N 0 1 292.383 2.762 20 30 CFEDMN COc1ccc(C=C(C)c2nc(C)c(C#N)c(=O)[nH]2)cc1 ZINC000435337667 536571234 /nfs/dbraw/zinc/57/12/34/536571234.db2.gz XRQVYPRUOAJOOQ-NTMALXAHSA-N 0 1 281.315 2.519 20 30 CFEDMN COc1ccc(C#N)cc1CN1CCSC[C@H]1C1CC1 ZINC000451659387 536644277 /nfs/dbraw/zinc/64/42/77/536644277.db2.gz ZIDPDXZCTQWQIM-HNNXBMFYSA-N 0 1 288.416 2.894 20 30 CFEDMN CO[C@@H]1C[C@@H](NCc2cccc(F)c2C#N)C1(C)C ZINC000451511215 536797812 /nfs/dbraw/zinc/79/78/12/536797812.db2.gz VYCFJBJYGCBYKW-ZIAGYGMSSA-N 0 1 262.328 2.600 20 30 CFEDMN N#Cc1ccc(O)c(NC(=O)C[C@H]2CC=CCC2)c1 ZINC000935108195 649876599 /nfs/dbraw/zinc/87/65/99/649876599.db2.gz NEHJLSJFTDOZCQ-NSHDSACASA-N 0 1 256.305 2.949 20 30 CFEDMN C=C[C@H](CC)CC(=O)N1C[C@@H](C)N(CC)C[C@@H]1C ZINC000935166673 649882391 /nfs/dbraw/zinc/88/23/91/649882391.db2.gz RIUQSGVDCRPISB-HZSPNIEDSA-N 0 1 252.402 2.530 20 30 CFEDMN COC1(C(=O)C(C#N)c2nc(C)cs2)CCCC1 ZINC000753891686 574053333 /nfs/dbraw/zinc/05/33/33/574053333.db2.gz PBXVJEJFKYJNCE-SNVBAGLBSA-N 0 1 264.350 2.587 20 30 CFEDMN CSc1ccc(C=NNC2=N[C@@H]3CCCC[C@H]3N2)cc1 ZINC000753933173 574055312 /nfs/dbraw/zinc/05/53/12/574055312.db2.gz CXVQWFKMOJIKST-ZIAGYGMSSA-N 0 1 288.420 2.602 20 30 CFEDMN CCc1ccc(C=NNC2=N[C@@H]3CCCC[C@H]3N2)s1 ZINC000753933097 574055599 /nfs/dbraw/zinc/05/55/99/574055599.db2.gz BHGIEKKSCMTCPA-CHWSQXEVSA-N 0 1 276.409 2.504 20 30 CFEDMN Clc1ccc(C=NNC2=N[C@H]3CCCC[C@@H]3N2)s1 ZINC000753934635 574055878 /nfs/dbraw/zinc/05/58/78/574055878.db2.gz IWYQVOJPZNPUEY-UWVGGRQHSA-N 0 1 282.800 2.595 20 30 CFEDMN Cc1cccc2[nH]cc(C=NNC3=N[C@H]4CCCC[C@@H]4N3)c21 ZINC000753934134 574056178 /nfs/dbraw/zinc/05/61/78/574056178.db2.gz GYUFLMFWJOIWGV-KBPBESRZSA-N 0 1 295.390 2.670 20 30 CFEDMN CC(=NNC1=N[C@@H]2CCCC[C@H]2N1)c1cc(C)ccc1C ZINC000753937419 574056625 /nfs/dbraw/zinc/05/66/25/574056625.db2.gz XGASNHGQSNUYKD-HZPDHXFCSA-N 0 1 284.407 2.887 20 30 CFEDMN CC(=NNC1=N[C@H]2CCCC[C@@H]2N1)c1ccc(F)cc1F ZINC000753937088 574056809 /nfs/dbraw/zinc/05/68/09/574056809.db2.gz CDADJYXEAXHEJP-KBPBESRZSA-N 0 1 292.333 2.549 20 30 CFEDMN C#C[C@@H](C)OC(=O)c1[nH]c(-c2ccccc2)nc1C ZINC000744177831 574058759 /nfs/dbraw/zinc/05/87/59/574058759.db2.gz BGXSCIRRPIWEHS-SNVBAGLBSA-N 0 1 254.289 2.564 20 30 CFEDMN C#C[C@H](C)OC(=O)c1[nH]c(-c2ccccc2)nc1C ZINC000744177830 574058867 /nfs/dbraw/zinc/05/88/67/574058867.db2.gz BGXSCIRRPIWEHS-JTQLQIEISA-N 0 1 254.289 2.564 20 30 CFEDMN Clc1cscc1C=NNC1=N[C@@H]2CCCC[C@@H]2N1 ZINC000753931454 574082310 /nfs/dbraw/zinc/08/23/10/574082310.db2.gz ZEHLOIYCWJNPIX-PHIMTYICSA-N 0 1 282.800 2.595 20 30 CFEDMN Cc1cc(N=NCc2cccc(F)c2F)nc(C)n1 ZINC000730727914 574093674 /nfs/dbraw/zinc/09/36/74/574093674.db2.gz CAQUGUBPMVPJQO-UHFFFAOYSA-N 0 1 262.263 2.818 20 30 CFEDMN CC[N@@H+](CCC(=O)[O-])Cc1cc(Cl)ccc1OCC#N ZINC000737096927 574111197 /nfs/dbraw/zinc/11/11/97/574111197.db2.gz UKZNWHYPFFWELY-UHFFFAOYSA-N 0 1 296.754 2.539 20 30 CFEDMN CC[N@@H+](Cc1ccc(F)cc1C(=O)[O-])C[C@H](C)C#N ZINC000737107000 574112893 /nfs/dbraw/zinc/11/28/93/574112893.db2.gz ZYVLHBWVAHDZFL-SNVBAGLBSA-N 0 1 264.300 2.505 20 30 CFEDMN CC[N@H+](Cc1ccc(F)cc1C(=O)[O-])C[C@H](C)C#N ZINC000737107000 574112898 /nfs/dbraw/zinc/11/28/98/574112898.db2.gz ZYVLHBWVAHDZFL-SNVBAGLBSA-N 0 1 264.300 2.505 20 30 CFEDMN COCCOc1ccc(C=NNc2ccc(F)cn2)cc1 ZINC000731317799 574116109 /nfs/dbraw/zinc/11/61/09/574116109.db2.gz CVRWAOJKVRMDEL-UHFFFAOYSA-N 0 1 289.310 2.692 20 30 CFEDMN O=C(NC1CC1)c1ccc(C=NNc2ccc(F)cn2)cc1 ZINC000731317552 574116154 /nfs/dbraw/zinc/11/61/54/574116154.db2.gz AHNSWFLACYKHDE-UHFFFAOYSA-N 0 1 298.321 2.559 20 30 CFEDMN Cc1nc(CN=Nc2ccc(F)cn2)c2ccccn12 ZINC000731322146 574116675 /nfs/dbraw/zinc/11/66/75/574116675.db2.gz ZFFDVFZDCJZILD-UHFFFAOYSA-N 0 1 269.283 2.623 20 30 CFEDMN CC(C)CN(CCC#N)CCC(=O)NCC1CCCCC1 ZINC000731361072 574118233 /nfs/dbraw/zinc/11/82/33/574118233.db2.gz YEKMAVQDIBSTRE-UHFFFAOYSA-N 0 1 293.455 2.945 20 30 CFEDMN C[N@@H+](Cc1ccc(F)cc1)[C@@H](C(=O)[O-])c1ccc(C#N)cc1 ZINC000737471654 574144334 /nfs/dbraw/zinc/14/43/34/574144334.db2.gz CADOCMBYDXYZQO-MRXNPFEDSA-N 0 1 298.317 2.955 20 30 CFEDMN CCn1cc(CN=Nc2ccc3ccccc3n2)cn1 ZINC000732527042 574160232 /nfs/dbraw/zinc/16/02/32/574160232.db2.gz FTHCLNQLPMMCBB-UHFFFAOYSA-N 0 1 265.320 2.897 20 30 CFEDMN CCn1cc(C=NN=c2ccc3ccccc3[nH]2)cn1 ZINC000732527042 574160235 /nfs/dbraw/zinc/16/02/35/574160235.db2.gz FTHCLNQLPMMCBB-UHFFFAOYSA-N 0 1 265.320 2.897 20 30 CFEDMN Cc1cc(=O)nc(NN=C[C@H]2CCc3ccccc32)[nH]1 ZINC000755463819 574163720 /nfs/dbraw/zinc/16/37/20/574163720.db2.gz MOXWUVILXLNTAS-GFCCVEGCSA-N 0 1 268.320 2.618 20 30 CFEDMN CCc1ncc(CNCc2ccc(OC)c(C#N)c2)s1 ZINC000746740610 574165074 /nfs/dbraw/zinc/16/50/74/574165074.db2.gz GHVHRPHEOSPRFO-UHFFFAOYSA-N 0 1 287.388 2.876 20 30 CFEDMN Cc1cccc2ncc(C=NNc3nc4ccccc4[nH]3)n21 ZINC000755489210 574165363 /nfs/dbraw/zinc/16/53/63/574165363.db2.gz SDQJVOXZOSZDDW-UHFFFAOYSA-N 0 1 290.330 2.965 20 30 CFEDMN Cc1csc([C@@H](C#N)C(=O)C=CC2CCOCC2)n1 ZINC000732707845 574166229 /nfs/dbraw/zinc/16/62/29/574166229.db2.gz HCGZLDJMPPAFPK-DLGQBQFBSA-N 0 1 276.361 2.611 20 30 CFEDMN Cc1csc(C(C#N)C(=O)C=CC2CCOCC2)n1 ZINC000732707845 574166232 /nfs/dbraw/zinc/16/62/32/574166232.db2.gz HCGZLDJMPPAFPK-DLGQBQFBSA-N 0 1 276.361 2.611 20 30 CFEDMN Cc1csc(C(C#N)=C(O)C=CC2CCOCC2)n1 ZINC000732707845 574166233 /nfs/dbraw/zinc/16/62/33/574166233.db2.gz HCGZLDJMPPAFPK-DLGQBQFBSA-N 0 1 276.361 2.611 20 30 CFEDMN Cc1ccc([N-]N=C2C(=O)Nc3c2c(C)ccc3F)[nH+]c1 ZINC000732711995 574166744 /nfs/dbraw/zinc/16/67/44/574166744.db2.gz NDXGGXROXWJPLQ-UHFFFAOYSA-N 0 1 284.294 2.606 20 30 CFEDMN CCCCC[C@H](C)CNC(=S)NN=Cc1[nH]cnc1C ZINC000755519696 574166899 /nfs/dbraw/zinc/16/68/99/574166899.db2.gz NOIPWULSVKYKPR-NSHDSACASA-N 0 1 295.456 2.733 20 30 CFEDMN CCCn1nc(C)c(C=NNc2ccccn2)c1C ZINC000755518360 574167146 /nfs/dbraw/zinc/16/71/46/574167146.db2.gz ABIJCVWIXRQFIN-UHFFFAOYSA-N 0 1 257.341 2.751 20 30 CFEDMN Cc1nc[nH]c1C=NNc1cccc2ncccc21 ZINC000755652058 574175201 /nfs/dbraw/zinc/17/52/01/574175201.db2.gz PNXUDAUXFXLIFC-UHFFFAOYSA-N 0 1 251.293 2.712 20 30 CFEDMN CCc1nc(CN=Nc2ccncc2Cl)c2ccccn12 ZINC000755766723 574185552 /nfs/dbraw/zinc/18/55/52/574185552.db2.gz PSPLPXOAKHNCTE-UHFFFAOYSA-N 0 1 299.765 2.813 20 30 CFEDMN CCC(=NNc1cc(F)cc(OC)c1)c1nccn1C ZINC000755768464 574185698 /nfs/dbraw/zinc/18/56/98/574185698.db2.gz IEVSNOFZWBOJHS-UHFFFAOYSA-N 0 1 276.315 2.794 20 30 CFEDMN Cc1cc[nH+]c([N-]N=Cc2nc3ccccc3n2C)c1 ZINC000755770671 574186298 /nfs/dbraw/zinc/18/62/98/574186298.db2.gz NZJGXQZCBJODEF-UHFFFAOYSA-N 0 1 265.320 2.723 20 30 CFEDMN Cc1nc(CN=Nc2nccnc2Cl)c2ccccn12 ZINC000733079013 574186446 /nfs/dbraw/zinc/18/64/46/574186446.db2.gz QEMXBOWUQOXGAD-UHFFFAOYSA-N 0 1 286.726 2.532 20 30 CFEDMN CCCCCCCCN1CCN(c2cnccn2)CC1 ZINC000740874824 574191751 /nfs/dbraw/zinc/19/17/51/574191751.db2.gz LJVLKKIUATUSRV-UHFFFAOYSA-N 0 1 276.428 2.959 20 30 CFEDMN C[C@H](c1ccc(C#N)cc1)[N@H+]1CCC[C@@H](CNC(=O)[O-])C1 ZINC000739054093 574194589 /nfs/dbraw/zinc/19/45/89/574194589.db2.gz OPVCTRMABGUJIZ-OCCSQVGLSA-N 0 1 287.363 2.599 20 30 CFEDMN COc1ccc(O)c(CN=Nc2cc(C)ccn2)c1 ZINC000755899460 574195538 /nfs/dbraw/zinc/19/55/38/574195538.db2.gz BLONZVPVGIXRBG-UHFFFAOYSA-N 0 1 257.293 2.550 20 30 CFEDMN COc1ccc(O)c(C(C)=NNc2cc(C)ccn2)c1 ZINC000755899961 574195564 /nfs/dbraw/zinc/19/55/64/574195564.db2.gz IIBKEYCODJUUPF-UHFFFAOYSA-N 0 1 271.320 2.940 20 30 CFEDMN CCc1ccc2c(c1)C(=NNc1cc(C)ccn1)C(=O)N2 ZINC000755904424 574195935 /nfs/dbraw/zinc/19/59/35/574195935.db2.gz YDNCCLWSMJBXLG-UHFFFAOYSA-N 0 1 280.331 2.721 20 30 CFEDMN CCCCCNC(=O)C(C#N)C(=O)[C@@H]1CC12CCCC2 ZINC000747477549 574196743 /nfs/dbraw/zinc/19/67/43/574196743.db2.gz BKNPTNQGZMCVGY-STQMWFEESA-N 0 1 276.380 2.582 20 30 CFEDMN COc1nc2sccn2c1C=N[N-]c1cc(C)cc[nH+]1 ZINC000755907372 574196890 /nfs/dbraw/zinc/19/68/90/574196890.db2.gz YHMODOMXYAIFLJ-UHFFFAOYSA-N 0 1 287.348 2.554 20 30 CFEDMN Cc1cc(C(C#N)C(=O)[C@H]2CC23CCCC3)nc(C)n1 ZINC000747480013 574197528 /nfs/dbraw/zinc/19/75/28/574197528.db2.gz QIVNLTVGDBIRKG-CHWSQXEVSA-N 0 1 269.348 2.850 20 30 CFEDMN C=C(C)CN1C[C@@H](C)N(C(=O)OC(C)(C)C)[C@H](C)C1 ZINC000733196551 574210366 /nfs/dbraw/zinc/21/03/66/574210366.db2.gz LRMSKWVSCMCYLK-CHWSQXEVSA-N 0 1 268.401 2.892 20 30 CFEDMN CCCOc1cccc(CN=Nc2ccnc(N(C)C)n2)c1 ZINC000739417739 574212699 /nfs/dbraw/zinc/21/26/99/574212699.db2.gz CMCJLTBVQUUEKK-UHFFFAOYSA-N 0 1 299.378 2.777 20 30 CFEDMN C[C@H]1CCCC[C@@H]1OCC(=O)Nc1cc(C#N)ccc1O ZINC000748003454 574224554 /nfs/dbraw/zinc/22/45/54/574224554.db2.gz VXVBTSYQLUFQNV-NHYWBVRUSA-N 0 1 288.347 2.798 20 30 CFEDMN C#CCN1CCC[C@H]1COC(=O)C[C@@H](C)CC(C)C ZINC000729812143 574233216 /nfs/dbraw/zinc/23/32/16/574233216.db2.gz NFBJGXFPMBXDSN-GJZGRUSLSA-N 0 1 265.397 2.700 20 30 CFEDMN C=CCOCC(=O)C(C#N)c1nc2ccccc2s1 ZINC000729890773 574235523 /nfs/dbraw/zinc/23/55/23/574235523.db2.gz OGAGUNWNGJMNHU-SNVBAGLBSA-N 0 1 272.329 2.675 20 30 CFEDMN C#CCN1CCC[C@@H]1COC(=O)[C@@H]1CCCc2ccccc21 ZINC000756544890 574245665 /nfs/dbraw/zinc/24/56/65/574245665.db2.gz SFFZTPDMXCNZGW-SJLPKXTDSA-N 0 1 297.398 2.747 20 30 CFEDMN Cc1ccc(N=NCc2ccc(Br)cn2)nc1 ZINC000733747954 574254596 /nfs/dbraw/zinc/25/45/96/574254596.db2.gz ZACAUGVURLKLQZ-UHFFFAOYSA-N 0 1 291.152 2.994 20 30 CFEDMN COc1ccccc1CN=Nc1ccncc1Cl ZINC000756841963 574267251 /nfs/dbraw/zinc/26/72/51/574267251.db2.gz FTHVJKLNCSVXHI-UHFFFAOYSA-N 0 1 261.712 2.612 20 30 CFEDMN C=CCN(C/C=C(/C)C(=O)OC)Cc1ccc(OC)cc1 ZINC000748812721 574268057 /nfs/dbraw/zinc/26/80/57/574268057.db2.gz DQTZAOZUXQQRGY-UVTDQMKNSA-N 0 1 289.375 2.803 20 30 CFEDMN CC[C@H](C(=O)OCc1ccc(C#N)cc1)N(CC)CC ZINC000741034142 574278736 /nfs/dbraw/zinc/27/87/36/574278736.db2.gz YMAAYLMYLAOPPW-OAHLLOKOSA-N 0 1 274.364 2.722 20 30 CFEDMN CC[C@@H](C(=O)OCc1cccc(C#N)c1)N(CC)CC ZINC000741032567 574279181 /nfs/dbraw/zinc/27/91/81/574279181.db2.gz HGANZYDGOKYYQR-HNNXBMFYSA-N 0 1 274.364 2.722 20 30 CFEDMN CC(N=Nc1cc(F)c(F)cc1F)c1csc(N)n1 ZINC000734301842 574280794 /nfs/dbraw/zinc/28/07/94/574280794.db2.gz RTHJIFLYFLSTPK-UHFFFAOYSA-N 0 1 286.282 2.979 20 30 CFEDMN CC(=NNc1cc(F)c(F)cc1F)c1csc(N)n1 ZINC000734301842 574280796 /nfs/dbraw/zinc/28/07/96/574280796.db2.gz RTHJIFLYFLSTPK-UHFFFAOYSA-N 0 1 286.282 2.979 20 30 CFEDMN C[C@@H]1C[N@@H+](Cc2ccccc2)CCC1N=Nc1ncccn1 ZINC000734365810 574283809 /nfs/dbraw/zinc/28/38/09/574283809.db2.gz UCWFNNHJABQBAT-CQSZACIVSA-N 0 1 295.390 2.787 20 30 CFEDMN N#Cc1ccccc1COC(=O)c1cccc2[nH]ncc21 ZINC000749342574 574290271 /nfs/dbraw/zinc/29/02/71/574290271.db2.gz WVIBBIQAEHZVJF-UHFFFAOYSA-N 0 1 277.283 2.792 20 30 CFEDMN CSCC(=NNc1ncnc2[nH]cnc21)c1ccccc1 ZINC000749446726 574295624 /nfs/dbraw/zinc/29/56/24/574295624.db2.gz IWRHBHRUDUMWIK-UHFFFAOYSA-N 0 1 298.375 2.532 20 30 CFEDMN C(=NN=c1[nH]c2ccccc2[nH]1)c1c[nH]c2ncccc12 ZINC000741760020 574301449 /nfs/dbraw/zinc/30/14/49/574301449.db2.gz GQYWFWDCMTVITG-UHFFFAOYSA-N 0 1 276.303 2.885 20 30 CFEDMN C(=NNc1nc2ccccc2[nH]1)c1c[nH]c2ncccc12 ZINC000741760020 574301451 /nfs/dbraw/zinc/30/14/51/574301451.db2.gz GQYWFWDCMTVITG-UHFFFAOYSA-N 0 1 276.303 2.885 20 30 CFEDMN Cc1ncc(C=NNc2cc(Cl)nc(C)n2)s1 ZINC000741766759 574302097 /nfs/dbraw/zinc/30/20/97/574302097.db2.gz NIBXGIQOJBAJFS-UHFFFAOYSA-N 0 1 267.745 2.649 20 30 CFEDMN CCC(=NNc1nc2ccccc2n1C)c1cnn(C)c1 ZINC000741807184 574304936 /nfs/dbraw/zinc/30/49/36/574304936.db2.gz WSHICQNVYQBYPN-UHFFFAOYSA-N 0 1 282.351 2.533 20 30 CFEDMN Oc1c(F)cc(C=NNc2nc3ccccc3[nH]2)cc1F ZINC000749857358 574313012 /nfs/dbraw/zinc/31/30/12/574313012.db2.gz CUSKIYGPMYLFNF-UHFFFAOYSA-N 0 1 288.257 2.993 20 30 CFEDMN C=CCCC[N@H+](C)[C@H](C)c1ccc(-c2nn[nH]n2)cc1 ZINC000735412738 574322609 /nfs/dbraw/zinc/32/26/09/574322609.db2.gz JZBQEVKOWDOZJC-GFCCVEGCSA-N 0 1 271.368 2.826 20 30 CFEDMN C[C@@H](NCc1ccc(O[C@@H](C)C#N)cc1)c1cnn(C)c1 ZINC000742372761 574325524 /nfs/dbraw/zinc/32/55/24/574325524.db2.gz VUBITASGDIAWKQ-QWHCGFSZSA-N 0 1 284.363 2.562 20 30 CFEDMN Cc1cccc(C)c1C=NN=c1cc[nH]c(N(C)C)n1 ZINC000755740095 574329423 /nfs/dbraw/zinc/32/94/23/574329423.db2.gz QWRPFUNTUJZMNK-UHFFFAOYSA-N 0 1 269.352 2.605 20 30 CFEDMN Cc1cccc2nc([C@H](C#N)C(=O)C[C@@H]3CCCO3)[nH]c21 ZINC000735792940 574335893 /nfs/dbraw/zinc/33/58/93/574335893.db2.gz PBJUFUFXVSSCHM-NWDGAFQWSA-N 0 1 283.331 2.617 20 30 CFEDMN Cc1cccc2nc([C@@H](C#N)C(=O)Cc3cccnc3)[nH]c21 ZINC000735916539 574342902 /nfs/dbraw/zinc/34/29/02/574342902.db2.gz WOBDRSULODWTRM-ZDUSSCGKSA-N 0 1 290.326 2.685 20 30 CFEDMN CCCCCNC(=O)C(C#N)C(=O)[C@H](C)C1CCCC1 ZINC000750684381 574351018 /nfs/dbraw/zinc/35/10/18/574351018.db2.gz PWQMYBOHMMUCEJ-TZMCWYRMSA-N 0 1 278.396 2.828 20 30 CFEDMN C[C@@H](C(=O)C(C#N)c1nc2ccccc2o1)c1cnn(C)c1 ZINC000750689288 574351135 /nfs/dbraw/zinc/35/11/35/574351135.db2.gz HRFVXBAQCSVOPK-ZYHUDNBSSA-N 0 1 294.314 2.541 20 30 CFEDMN C[C@@H](C(=O)C(C#N)c1nc2ccccc2o1)c1cnn(C)c1 ZINC000750689287 574351164 /nfs/dbraw/zinc/35/11/64/574351164.db2.gz HRFVXBAQCSVOPK-PWSUYJOCSA-N 0 1 294.314 2.541 20 30 CFEDMN CC(=NNc1cccc(F)c1F)c1cn(C)nc1C ZINC000743442860 574365029 /nfs/dbraw/zinc/36/50/29/574365029.db2.gz JSUJSFMZBAFEQX-UHFFFAOYSA-N 0 1 264.279 2.843 20 30 CFEDMN O=[N+]([O-])c1ccc(O)cc1C=NNc1ccc(F)cc1 ZINC000751131851 574369777 /nfs/dbraw/zinc/36/97/77/574369777.db2.gz UIWICNXLHDZCKQ-UHFFFAOYSA-N 0 1 275.239 2.886 20 30 CFEDMN O=[N+]([O-])c1ccc(O)cc1C=NOCc1ccccc1 ZINC000751130290 574369872 /nfs/dbraw/zinc/36/98/72/574369872.db2.gz GMXHOFFTFFGKCW-UHFFFAOYSA-N 0 1 272.260 2.851 20 30 CFEDMN CCC#C[C@H](C)N1CCc2c(cccc2N2CCOC2=O)C1 ZINC000752854483 574395783 /nfs/dbraw/zinc/39/57/83/574395783.db2.gz GPSOMBCUZKUFKP-AWEZNQCLSA-N 0 1 298.386 2.803 20 30 CFEDMN N#Cc1cc(F)ccc1C[NH2+][C@H](C(=O)[O-])c1ccccc1 ZINC000071264012 599785684 /nfs/dbraw/zinc/78/56/84/599785684.db2.gz OQOGSLAZOIPOBC-HNNXBMFYSA-N 0 1 284.290 2.613 20 30 CFEDMN C[C@H](c1ccc(C#N)cc1)[N@H+]1CCC[C@@H](CC(=O)[O-])C1 ZINC000226421188 597081506 /nfs/dbraw/zinc/08/15/06/597081506.db2.gz GQNRXULVHHHQPI-OCCSQVGLSA-N 0 1 272.348 2.806 20 30 CFEDMN C#C[C@@H](CC)NCc1ccc(Cl)cc1[N+](=O)[O-] ZINC000229967015 618650077 /nfs/dbraw/zinc/65/00/77/618650077.db2.gz VWURWDKYRSWXDG-NSHDSACASA-N 0 1 252.701 2.750 20 30 CFEDMN C=C[C@@H](CC)CC(=O)N[C@@H](Cc1nc[nH]n1)c1ccccc1 ZINC000935481015 649911975 /nfs/dbraw/zinc/91/19/75/649911975.db2.gz VLHNKISAIPXJAG-ZFWWWQNUSA-N 0 1 298.390 2.807 20 30 CFEDMN C=CC1(CC(=O)NC2(c3nnc[nH]3)CCC2)CCCCC1 ZINC000935577826 649919321 /nfs/dbraw/zinc/91/93/21/649919321.db2.gz MNFAGUNCZMWBFR-UHFFFAOYSA-N 0 1 288.395 2.827 20 30 CFEDMN N#Cc1cccc([C@H]([NH2+]Cc2cccs2)C(=O)[O-])c1 ZINC000833076277 601298262 /nfs/dbraw/zinc/29/82/62/601298262.db2.gz SYLVXPVEIMUNLC-ZDUSSCGKSA-N 0 1 272.329 2.535 20 30 CFEDMN C[C@@H]1C[C@H](C)C[N@@H+]([C@H](C(=O)[O-])c2cccc(C#N)c2)C1 ZINC000828160641 601309103 /nfs/dbraw/zinc/30/91/03/601309103.db2.gz IJUZKAPWDSWWCC-ZOWXZIJZSA-N 0 1 272.348 2.662 20 30 CFEDMN CC(C)CC[N@@H+](C)[C@@H](C(=O)[O-])c1cccc(C#N)c1 ZINC000826848937 601311121 /nfs/dbraw/zinc/31/11/21/601311121.db2.gz MWUNXKWHILQKCH-CQSZACIVSA-N 0 1 260.337 2.662 20 30 CFEDMN N#Cc1cccc([C@@H](C(=O)[O-])[N@@H+]2C[C@@H]3CCCC[C@@H]3C2)c1 ZINC000833074442 601324361 /nfs/dbraw/zinc/32/43/61/601324361.db2.gz YEHMARSIFZNIMM-XHSDSOJGSA-N 0 1 284.359 2.806 20 30 CFEDMN CC(C)[N@H+](CC#Cc1ccc(Cl)cc1)CCC(=O)[O-] ZINC000826935470 601418936 /nfs/dbraw/zinc/41/89/36/601418936.db2.gz AZACJEUDABZBOE-UHFFFAOYSA-N 0 1 279.767 2.877 20 30 CFEDMN N#CCCC[N@@H+]1C[C@@H](C2CCCCC2)C[C@H]1C(=O)[O-] ZINC000833065632 601432052 /nfs/dbraw/zinc/43/20/52/601432052.db2.gz IDZDTCGRULZBEI-KBPBESRZSA-N 0 1 264.369 2.646 20 30 CFEDMN C#C[C@@H](CCC)NC(=O)c1ccc(CN2CCCCC2)o1 ZINC000935624892 649923565 /nfs/dbraw/zinc/92/35/65/649923565.db2.gz REIFDIWLADUQTK-AWEZNQCLSA-N 0 1 288.391 2.797 20 30 CFEDMN C#C[C@H](C)N(C)C(=O)c1cccc2[nH]c(C(F)F)nc21 ZINC000935675398 649929089 /nfs/dbraw/zinc/92/90/89/649929089.db2.gz RBUTXHJRIGCHCA-QMMMGPOBSA-N 0 1 277.274 2.594 20 30 CFEDMN C[C@@H]1Cc2cn[nH]c2[C@H](C(=O)N(C)c2cccc(C#N)c2)C1 ZINC000900377607 620666959 /nfs/dbraw/zinc/66/69/59/620666959.db2.gz XUFHSAHBQAHGOZ-IAQYHMDHSA-N 0 1 294.358 2.610 20 30 CFEDMN C[C@H](NC(=O)[O-])[C@H]1CCC[N@@H+](CCCC(C)(C)C#N)C1 ZINC000825263206 604233739 /nfs/dbraw/zinc/23/37/39/604233739.db2.gz FNIZDGNFNOCFMA-STQMWFEESA-N 0 1 281.400 2.684 20 30 CFEDMN Cc1nc(C)c(C(=O)N(CCC#N)c2ccc(C)cc2)[nH]1 ZINC000900417190 620672959 /nfs/dbraw/zinc/67/29/59/620672959.db2.gz HEMJREHZSOKSGD-UHFFFAOYSA-N 0 1 282.347 2.895 20 30 CFEDMN CC(C)CC[N@@H+](C)Cc1cccc(C(=O)[O-])c1C#N ZINC000833483828 604605060 /nfs/dbraw/zinc/60/50/60/604605060.db2.gz QIOINQRJIQIIBC-UHFFFAOYSA-N 0 1 260.337 2.734 20 30 CFEDMN CC1(C)CCC[N@H+]1Cc1cccc(C(=O)[O-])c1C#N ZINC000833560218 604607562 /nfs/dbraw/zinc/60/75/62/604607562.db2.gz HTTINODORCYRFU-UHFFFAOYSA-N 0 1 258.321 2.631 20 30 CFEDMN C=CCOc1cccc(C[N@H+](CCC(=O)[O-])C(C)C)c1 ZINC000833378188 604643800 /nfs/dbraw/zinc/64/38/00/604643800.db2.gz APGOXCRLCGTARE-UHFFFAOYSA-N 0 1 277.364 2.937 20 30 CFEDMN C=CCOc1cccc(C[N@@H+]2CCC[C@@H]2CC(=O)[O-])c1 ZINC000833378247 604660675 /nfs/dbraw/zinc/66/06/75/604660675.db2.gz BWMFKUNBAKLWCG-CQSZACIVSA-N 0 1 275.348 2.691 20 30 CFEDMN CC(C)(C#N)c1ccccc1C[N@H+]1CCC[C@@H]1CC(=O)[O-] ZINC000833414019 604967143 /nfs/dbraw/zinc/96/71/43/604967143.db2.gz YANFZBMVBOTSNA-CQSZACIVSA-N 0 1 286.375 2.927 20 30 CFEDMN C[N@@H+](Cc1ccc(C#N)cc1)Cc1ccccc1CC(=O)[O-] ZINC000833696214 605063417 /nfs/dbraw/zinc/06/34/17/605063417.db2.gz IAOHWAIIBQEBGS-UHFFFAOYSA-N 0 1 294.354 2.817 20 30 CFEDMN C#CCOc1ccccc1C[NH2+]Cc1cc(C(=O)[O-])c(C)o1 ZINC000833366622 605095167 /nfs/dbraw/zinc/09/51/67/605095167.db2.gz FQUIQWBPUUUIAG-UHFFFAOYSA-N 0 1 299.326 2.588 20 30 CFEDMN C[C@@]1(C#N)CCC[N@H+](Cc2ccc(C(=O)[O-])cc2)C1 ZINC000820200060 605416196 /nfs/dbraw/zinc/41/61/96/605416196.db2.gz VFUQHZMJGHWNDH-HNNXBMFYSA-N 0 1 258.321 2.510 20 30 CFEDMN C[C@@]1(C#N)CCC[N@@H+](Cc2ccc(C(=O)[O-])cc2)C1 ZINC000820200060 605416198 /nfs/dbraw/zinc/41/61/98/605416198.db2.gz VFUQHZMJGHWNDH-HNNXBMFYSA-N 0 1 258.321 2.510 20 30 CFEDMN CC#CCCCC(=O)OC[C@@H]1CCN1Cc1ccccc1 ZINC000851468037 634381731 /nfs/dbraw/zinc/38/17/31/634381731.db2.gz IQYINZPHAUTNTR-KRWDZBQOSA-N 0 1 285.387 2.998 20 30 CFEDMN CCc1ccc([C@H](C#N)NC(=O)[C@@H]2CCCN2C(C)C)cc1 ZINC000935994531 649970435 /nfs/dbraw/zinc/97/04/35/649970435.db2.gz YUQAXKWOVMUMFJ-IRXDYDNUSA-N 0 1 299.418 2.803 20 30 CFEDMN C#CCCN1CCCN(C(=O)c2ccc(C=C)cc2)CC1 ZINC000982015727 613005902 /nfs/dbraw/zinc/00/59/02/613005902.db2.gz BGJBCUPUZCUOSJ-UHFFFAOYSA-N 0 1 282.387 2.501 20 30 CFEDMN C#CCCN1CC[C@@H](C)[C@H](NC(=O)c2sccc2C)C1 ZINC000964683155 613016563 /nfs/dbraw/zinc/01/65/63/613016563.db2.gz HSEMBVAQTBXVPC-TZMCWYRMSA-N 0 1 290.432 2.520 20 30 CFEDMN C#CCN(C)[C@@H]1CCN(C(=O)[C@H](C)c2ccc(CC)cc2)C1 ZINC000972553680 613083617 /nfs/dbraw/zinc/08/36/17/613083617.db2.gz CIVSOGVONDANTC-CRAIPNDOSA-N 0 1 298.430 2.518 20 30 CFEDMN C#CCN(C)[C@@H]1CCN(C(=O)c2cccc3ccccc32)C1 ZINC000980313603 613086608 /nfs/dbraw/zinc/08/66/08/613086608.db2.gz SVTRWONRGDDSRN-MRXNPFEDSA-N 0 1 292.382 2.619 20 30 CFEDMN C#CCN(C)[C@@H]1CCN(C(=O)c2sccc2C(C)C)C1 ZINC000980465069 613088414 /nfs/dbraw/zinc/08/84/14/613088414.db2.gz FHNPGRZTSCGLCW-CYBMUJFWSA-N 0 1 290.432 2.651 20 30 CFEDMN C#CCN(C)[C@H]1CCN(C(=O)C[C@@H](C)c2ccccc2C)C1 ZINC000972476626 613089989 /nfs/dbraw/zinc/08/99/89/613089989.db2.gz CIAVYMIAWPZHAU-SJORKVTESA-N 0 1 298.430 2.655 20 30 CFEDMN C#CCN(C)[C@H]1CCN(C(=O)c2ccc(CC)c(CC)c2)C1 ZINC000980573511 613094989 /nfs/dbraw/zinc/09/49/89/613094989.db2.gz GQPGHKRDOCDTMU-SFHVURJKSA-N 0 1 298.430 2.591 20 30 CFEDMN C#CCN(C)[C@H]1CCN(C(=O)c2coc3c2cccc3C)C1 ZINC000971688989 613096779 /nfs/dbraw/zinc/09/67/79/613096779.db2.gz BNBIRYMEVOXGHT-AWEZNQCLSA-N 0 1 296.370 2.521 20 30 CFEDMN C#CCN1CCCC2(CN(C(=O)C3(CC)CCCC3)C2)C1 ZINC000982092019 613139980 /nfs/dbraw/zinc/13/99/80/613139980.db2.gz BOMMPXPGOMWKCX-UHFFFAOYSA-N 0 1 288.435 2.514 20 30 CFEDMN C#CCN1CCCC2(CN(C(=O)C3CCCCCC3)C2)C1 ZINC000981663469 613140460 /nfs/dbraw/zinc/14/04/60/613140460.db2.gz GEHMCLRYNNHUEA-UHFFFAOYSA-N 0 1 288.435 2.514 20 30 CFEDMN C#CCN1CCCCC[C@@H]1CNC(=O)c1ccoc1Cl ZINC000968830841 613147217 /nfs/dbraw/zinc/14/72/17/613147217.db2.gz HBTBZOQNWYUOGU-GFCCVEGCSA-N 0 1 294.782 2.541 20 30 CFEDMN C#CCN1CCCCC[C@H]1CNC(=O)C1CCCCC1 ZINC000968718738 613148365 /nfs/dbraw/zinc/14/83/65/613148365.db2.gz CQBMXUJDDXSSEI-INIZCTEOSA-N 0 1 276.424 2.561 20 30 CFEDMN C#CCN1CCCCC[C@H]1CNC(=O)c1ccc(C)cc1C ZINC000969137410 613149167 /nfs/dbraw/zinc/14/91/67/613149167.db2.gz ZLMMNGMJJCUCSF-KRWDZBQOSA-N 0 1 298.430 2.911 20 30 CFEDMN C=C(C)C(C)(C)C(=O)N1CCN(CC2CCC2)CC1 ZINC000949631650 613241093 /nfs/dbraw/zinc/24/10/93/613241093.db2.gz LBJQOTCLBUMUJV-UHFFFAOYSA-N 0 1 264.413 2.533 20 30 CFEDMN C=C(C)CCN1CCN(C(=O)[C@@H]2CC3CCC2CC3)CC1 ZINC000957809386 613259005 /nfs/dbraw/zinc/25/90/05/613259005.db2.gz WDYPTDZEGXDETC-OFLPRAFFSA-N 0 1 290.451 2.923 20 30 CFEDMN C=C(C)CCN1CCN(C(=O)[C@@H]2CC[C@H](C)C2)CC1 ZINC000951176111 613259190 /nfs/dbraw/zinc/25/91/90/613259190.db2.gz DNORDAWJRSGYJE-LSDHHAIUSA-N 0 1 264.413 2.533 20 30 CFEDMN C=C(C)CCN1CCN(C(=O)[C@H](C)Cc2ccco2)CC1 ZINC000951695830 613259804 /nfs/dbraw/zinc/25/98/04/613259804.db2.gz GCOHEWWTAYZZMN-OAHLLOKOSA-N 0 1 290.407 2.569 20 30 CFEDMN C=C(C)CCN1CCN(C(=O)[C@]2(C)CCC[C@H]2C)CC1 ZINC000950332953 613260861 /nfs/dbraw/zinc/26/08/61/613260861.db2.gz YJAJAGPMIOKDPZ-NVXWUHKLSA-N 0 1 278.440 2.923 20 30 CFEDMN C#CCN1CC[C@H](NC(=O)[C@H](C)c2ccccc2)C(C)(C)C1 ZINC000941172945 613263154 /nfs/dbraw/zinc/26/31/54/613263154.db2.gz MNYKCWSAONEBQH-WBVHZDCISA-N 0 1 298.430 2.640 20 30 CFEDMN C#CCN1CC[C@H](NC(=O)c2ccc(C)cc2C)C(C)(C)C1 ZINC000941200465 613268394 /nfs/dbraw/zinc/26/83/94/613268394.db2.gz FNGAVNRVRPGMBA-KRWDZBQOSA-N 0 1 298.430 2.767 20 30 CFEDMN C#CCN1CC[C@H](NC(=O)c2sccc2CC)C[C@@H]1C ZINC000948067625 613278906 /nfs/dbraw/zinc/27/89/06/613278906.db2.gz XVAQRKIHJZXLSU-JSGCOSHPSA-N 0 1 290.432 2.526 20 30 CFEDMN C#CCN1C[C@@H](NC(=O)C2CCC(C)(C)CC2)C(C)(C)C1 ZINC000977654946 613280348 /nfs/dbraw/zinc/28/03/48/613280348.db2.gz UPZMVJBHEMSVJA-OAHLLOKOSA-N 0 1 290.451 2.663 20 30 CFEDMN C#CCN1C[C@@H](NC(=O)[C@@H](C)c2cccc(C)c2)C(C)(C)C1 ZINC000975083619 613280936 /nfs/dbraw/zinc/28/09/36/613280936.db2.gz KVGOVLXPMNSPRZ-DOTOQJQBSA-N 0 1 298.430 2.558 20 30 CFEDMN C#CCN1C[C@H](NC(=O)c2c(C)cc(C)cc2C)C(C)(C)C1 ZINC000977555312 613299278 /nfs/dbraw/zinc/29/92/78/613299278.db2.gz XRXBVZKAUAQGGA-INIZCTEOSA-N 0 1 298.430 2.685 20 30 CFEDMN C=C(C)CN1CCCN(C(=O)C23CCC(CC2)C3)CC1 ZINC000981458668 613307748 /nfs/dbraw/zinc/30/77/48/613307748.db2.gz DCRFZCDMPKKCOG-UHFFFAOYSA-N 0 1 276.424 2.677 20 30 CFEDMN C=C(C)CN1CCCN(C(=O)C(C)(C)CC)CC1 ZINC000981854603 613307794 /nfs/dbraw/zinc/30/77/94/613307794.db2.gz WXXBRKKIZMJZCD-UHFFFAOYSA-N 0 1 252.402 2.533 20 30 CFEDMN C=C(C)CN1CCCN(C(=O)[C@H]2CCC[C@H](F)C2)CC1 ZINC000981143001 613310512 /nfs/dbraw/zinc/31/05/12/613310512.db2.gz XRADLMHRNVXNAS-GJZGRUSLSA-N 0 1 282.403 2.625 20 30 CFEDMN C=C(C)CN1CCCN(C(=O)c2c(C)oc(C)c2C)CC1 ZINC000981583115 613311448 /nfs/dbraw/zinc/31/14/48/613311448.db2.gz PYUZYIBCCSPHHB-UHFFFAOYSA-N 0 1 290.407 2.929 20 30 CFEDMN C=C(C)CN1CCCN(C(=O)c2ccoc2C2CC2)CC1 ZINC000981824259 613312425 /nfs/dbraw/zinc/31/24/25/613312425.db2.gz GCNHASFQFJHCMX-UHFFFAOYSA-N 0 1 288.391 2.881 20 30 CFEDMN C=C(C)CN1CC[C@@H](C)[C@H](NC(=O)c2ccccc2F)C1 ZINC000964683946 613325976 /nfs/dbraw/zinc/32/59/76/613325976.db2.gz LBZPZIQZQFUVPJ-CZUORRHYSA-N 0 1 290.382 2.842 20 30 CFEDMN C=C(C)CN1CC[C@H](C)[C@@H](NC(=O)c2cccs2)C1 ZINC000964802161 613333133 /nfs/dbraw/zinc/33/31/33/613333133.db2.gz IYRDMMVSJZDBOZ-STQMWFEESA-N 0 1 278.421 2.764 20 30 CFEDMN C=C(C)CN1CC[C@H](C)[C@H](NC(=O)c2coc(C)c2)C1 ZINC000965951687 613334369 /nfs/dbraw/zinc/33/43/69/613334369.db2.gz HFJSQNXUXCKGJQ-SWLSCSKDSA-N 0 1 276.380 2.604 20 30 CFEDMN C=C(C)CN1C[C@@H](NC(=O)c2cc(C)oc2C)C(C)(C)C1 ZINC000972799364 613338462 /nfs/dbraw/zinc/33/84/62/613338462.db2.gz YLBHNEVVRSQSAS-OAHLLOKOSA-N 0 1 290.407 2.913 20 30 CFEDMN C=C(C)CN1C[C@H](NC(=O)C2(F)CCCC2)C(C)(C)C1 ZINC000974745296 613341120 /nfs/dbraw/zinc/34/11/20/613341120.db2.gz LRVKPHORIOEVGW-ZDUSSCGKSA-N 0 1 282.403 2.671 20 30 CFEDMN C=C(C)CN1C[C@H](NC(=O)c2coc(C)c2)C(C)(C)C1 ZINC000974502916 613342592 /nfs/dbraw/zinc/34/25/92/613342592.db2.gz HCHNEVTVPVPVHZ-AWEZNQCLSA-N 0 1 276.380 2.604 20 30 CFEDMN C=C(Cl)CN1CCC[C@@H](N(C)C(=O)C2(C)CC2)CC1 ZINC000948397592 613374217 /nfs/dbraw/zinc/37/42/17/613374217.db2.gz WZZMXGOBZDKEQY-CYBMUJFWSA-N 0 1 284.831 2.852 20 30 CFEDMN C=C(Cl)CN1CCC[C@@H](N(C)C(=O)C(C)(C)F)CC1 ZINC000948141469 613374234 /nfs/dbraw/zinc/37/42/34/613374234.db2.gz ANTGPFDGQWAUKV-GFCCVEGCSA-N 0 1 290.810 2.800 20 30 CFEDMN C=C(Cl)CN1CC[C@@H]([C@@H]2CCCN(C(=O)C3CC3)C2)C1 ZINC000961083895 613377488 /nfs/dbraw/zinc/37/74/88/613377488.db2.gz WAXNNWRPPZHYKK-HUUCEWRRSA-N 0 1 296.842 2.709 20 30 CFEDMN C=C(Cl)CN[C@@H]1CCN(C(=O)C(C)(CC)CC)C1 ZINC000970753388 613384327 /nfs/dbraw/zinc/38/43/27/613384327.db2.gz NWNLYZNQDOBUPR-GFCCVEGCSA-N 0 1 272.820 2.756 20 30 CFEDMN C=C(Cl)CN[C@@H]1CCN(C(=O)[C@@H](C)C2CCCC2)C1 ZINC000970451702 613385026 /nfs/dbraw/zinc/38/50/26/613385026.db2.gz STBXNTQLMLWOHI-GXTWGEPZSA-N 0 1 284.831 2.756 20 30 CFEDMN C=C(Cl)CN[C@@H]1CCN(C(=O)[C@@H]2CC23CCCC3)C1 ZINC000970412478 613385054 /nfs/dbraw/zinc/38/50/54/613385054.db2.gz URKROEYQXTTXCL-OLZOCXBDSA-N 0 1 282.815 2.510 20 30 CFEDMN C=C(Cl)CN[C@@H]1CCN(C(=O)[C@@H](C)c2cccs2)C1 ZINC000969920431 613385114 /nfs/dbraw/zinc/38/51/14/613385114.db2.gz JBXQFBHLTRDQKK-NWDGAFQWSA-N 0 1 298.839 2.795 20 30 CFEDMN C=C(Cl)CN[C@H]1CN(C(=O)C2(C)CC(=C)C2)C[C@@H]1C ZINC000939101744 613386806 /nfs/dbraw/zinc/38/68/06/613386806.db2.gz AMWIUHJWNWTWGT-AAEUAGOBSA-N 0 1 282.815 2.532 20 30 CFEDMN C=C1CC(C)(C(=O)N[C@H]2CCN(CCF)CC2(C)C)C1 ZINC000941017867 613401190 /nfs/dbraw/zinc/40/11/90/613401190.db2.gz RDJRGSPBPAYPOL-ZDUSSCGKSA-N 0 1 282.403 2.529 20 30 CFEDMN C=C1CCC(C(=O)N2CCN(CCC(C)C)CC2)CC1 ZINC000950046497 613404908 /nfs/dbraw/zinc/40/49/08/613404908.db2.gz CBUWJYFNJUBQPD-UHFFFAOYSA-N 0 1 278.440 2.923 20 30 CFEDMN C=C[C@H](C(=O)N1CCN(CCCC)CC1)c1ccccc1 ZINC000957744012 613481662 /nfs/dbraw/zinc/48/16/62/613481662.db2.gz HEBZHBYQMFFMRE-KRWDZBQOSA-N 0 1 286.419 2.901 20 30 CFEDMN C=C[C@H](C(=O)N1CCN(CC(C)C)CC1)c1ccccc1 ZINC000957747396 613481755 /nfs/dbraw/zinc/48/17/55/613481755.db2.gz RSBFSMMJWUNOGI-KRWDZBQOSA-N 0 1 286.419 2.756 20 30 CFEDMN C=CCCN1CCN(C(=O)Cc2cc3ccccc3o2)CC1 ZINC000949570964 613504502 /nfs/dbraw/zinc/50/45/02/613504502.db2.gz VQLQCYPEYVHOAP-UHFFFAOYSA-N 0 1 298.386 2.696 20 30 CFEDMN C=CCCN1CCN(C(=O)[C@@H](C)Cc2cccs2)CC1 ZINC000951104052 613505275 /nfs/dbraw/zinc/50/52/75/613505275.db2.gz PIYSYSKBYZILSG-AWEZNQCLSA-N 0 1 292.448 2.647 20 30 CFEDMN C=CCCN1CCN(C(=O)[C@H](C=C)c2ccccc2)CC1 ZINC000957743891 613507634 /nfs/dbraw/zinc/50/76/34/613507634.db2.gz BOMVJHFQQMMYFF-QGZVFWFLSA-N 0 1 284.403 2.677 20 30 CFEDMN C=CCCN1CCN(C(=O)[C@H]2CCCC[C@@H]2C)CC1 ZINC000949930530 613508557 /nfs/dbraw/zinc/50/85/57/613508557.db2.gz PGMSEWLANFBJRG-GJZGRUSLSA-N 0 1 264.413 2.533 20 30 CFEDMN C=CCCN1CCN(C(=O)c2c(C)[nH]c3ccccc32)CC1 ZINC000949185659 613509142 /nfs/dbraw/zinc/50/91/42/613509142.db2.gz RCXBKPJHYCXVRY-UHFFFAOYSA-N 0 1 297.402 2.810 20 30 CFEDMN C=CCCN1CCN(C(=O)c2cc3c(C)cccn3c2)CC1 ZINC000957308844 613510487 /nfs/dbraw/zinc/51/04/87/613510487.db2.gz CMLMLWZKBVRFDR-UHFFFAOYSA-N 0 1 297.402 2.582 20 30 CFEDMN C=CCCN1CCN(C(=O)c2ccc3c(c2)CCC=C3)CC1 ZINC000957353555 613510887 /nfs/dbraw/zinc/51/08/87/613510887.db2.gz FOZVKCCPXVSAEU-UHFFFAOYSA-N 0 1 296.414 2.980 20 30 CFEDMN C=Cc1ccc(C(=O)N[C@@H]2CN(CC#CC)CC2(C)C)cc1 ZINC000975062549 613514423 /nfs/dbraw/zinc/51/44/23/613514423.db2.gz GFIFAXPWFABGBR-QGZVFWFLSA-N 0 1 296.414 2.793 20 30 CFEDMN CC#CCN1CC([C@H](C)NC(=O)c2cccc(C3CC3)c2)C1 ZINC000970945029 613538495 /nfs/dbraw/zinc/53/84/95/613538495.db2.gz KXKIUEOVBDZQPV-AWEZNQCLSA-N 0 1 296.414 2.637 20 30 CFEDMN CC#CCN1CCCC2(CN(C(=O)[C@@H](C)C(C)(C)C)C2)C1 ZINC000981848485 613542394 /nfs/dbraw/zinc/54/23/94/613542394.db2.gz PQTNFUOSLIZXET-OAHLLOKOSA-N 0 1 290.451 2.616 20 30 CFEDMN CC#CCN1CCCCC[C@H]1CNC(=O)c1cc(C)co1 ZINC000968998516 613546820 /nfs/dbraw/zinc/54/68/20/613546820.db2.gz YCOXHNSOJAHZCP-HNNXBMFYSA-N 0 1 288.391 2.586 20 30 CFEDMN CC#CCN1CC[C@@H](C)[C@@H](NC(=O)C2C(C)(C)C2(C)C)C1 ZINC000965863646 613571691 /nfs/dbraw/zinc/57/16/91/613571691.db2.gz RPWBVCVYXMULMA-KGLIPLIRSA-N 0 1 290.451 2.519 20 30 CFEDMN CC#CCN1CC[C@@H](C)[C@@H](NC(=O)c2c(C)cccc2C)C1 ZINC000968345979 613572775 /nfs/dbraw/zinc/57/27/75/613572775.db2.gz QIPGYQPGFYSFIN-PBHICJAKSA-N 0 1 298.430 2.767 20 30 CFEDMN CC#CCN1CC[C@@H](C)[C@H](NC(=O)C2CCC=CCC2)C1 ZINC000968663913 613574105 /nfs/dbraw/zinc/57/41/05/613574105.db2.gz BZALRKBHVGOLFY-NVXWUHKLSA-N 0 1 288.435 2.583 20 30 CFEDMN CC#CCN1CC[C@@H](C)[C@H](NC(=O)c2ccccc2CC)C1 ZINC000968105267 613576057 /nfs/dbraw/zinc/57/60/57/613576057.db2.gz JDBYMMZQANOOQZ-CRAIPNDOSA-N 0 1 298.430 2.713 20 30 CFEDMN CC#CCN1CC[C@H](C)[C@@H](NC(=O)CC2=CCCCC2)C1 ZINC000965621942 613590683 /nfs/dbraw/zinc/59/06/83/613590683.db2.gz IEUYHAZULQOGEP-RDJZCZTQSA-N 0 1 288.435 2.727 20 30 CFEDMN CC#CCN1CC[C@H](C)[C@@H](NC(=O)c2ccccc2CC)C1 ZINC000968105277 613591675 /nfs/dbraw/zinc/59/16/75/613591675.db2.gz JDBYMMZQANOOQZ-YJBOKZPZSA-N 0 1 298.430 2.713 20 30 CFEDMN CC#CCN1C[C@@H](NC(=O)C(C)(C)C2CCC2)C(C)(C)C1 ZINC000974873576 613608585 /nfs/dbraw/zinc/60/85/85/613608585.db2.gz VHTJIMKAVMOPRQ-OAHLLOKOSA-N 0 1 290.451 2.663 20 30 CFEDMN C=CCN1CC([C@@H](C)NC(=O)C2CCC3(CC3)CC2)C1 ZINC000970169403 613661928 /nfs/dbraw/zinc/66/19/28/613661928.db2.gz NEQPLMLSYQTFKF-CYBMUJFWSA-N 0 1 276.424 2.579 20 30 CFEDMN C=CCN1CC([C@H](C)NC(=O)C2CCC(C3CC3)CC2)C1 ZINC000970821579 613668143 /nfs/dbraw/zinc/66/81/43/613668143.db2.gz RTVCYOFWWMNAJD-JEYLPNPQSA-N 0 1 290.451 2.825 20 30 CFEDMN C=CCN1CC([C@H](C)NC(=O)c2c(C)cc(C)cc2C)C1 ZINC000970850034 613670249 /nfs/dbraw/zinc/67/02/49/613670249.db2.gz XCYOGIFEHLWONJ-HNNXBMFYSA-N 0 1 286.419 2.848 20 30 CFEDMN C=CCN1CC([C@H](C)NC(=O)c2ccc(CCC)cc2)C1 ZINC000970351740 613671476 /nfs/dbraw/zinc/67/14/76/613671476.db2.gz NWZKKVOAJPFVTQ-AWEZNQCLSA-N 0 1 286.419 2.875 20 30 CFEDMN C=CCN1CC([C@H](C)NC(=O)c2ccc(C3CC3)s2)C1 ZINC000970738564 613671546 /nfs/dbraw/zinc/67/15/46/613671546.db2.gz WXXDBUORWYSKAN-NSHDSACASA-N 0 1 290.432 2.862 20 30 CFEDMN C=CCN1CC([C@H](C)NC(=O)c2coc3c2cccc3C)C1 ZINC000969848027 613673866 /nfs/dbraw/zinc/67/38/66/613673866.db2.gz PSVXJJVVEZNIGY-ZDUSSCGKSA-N 0 1 298.386 2.977 20 30 CFEDMN C=CCN1CCCN(C(=O)C[C@@H]2CCC[C@H]2C)CC1 ZINC000981225561 613689223 /nfs/dbraw/zinc/68/92/23/613689223.db2.gz PFXJDKRRXWJYIC-CABCVRRESA-N 0 1 264.413 2.533 20 30 CFEDMN C=CCN1CCCN(C(=O)[C@@H](C)c2cc(C)oc2C)CC1 ZINC000982221537 613690552 /nfs/dbraw/zinc/69/05/52/613690552.db2.gz CEQRHSWYTREMBL-AWEZNQCLSA-N 0 1 290.407 2.720 20 30 CFEDMN C=CCN1CCCN(C(=O)[C@@]2(C)CCC[C@H]2CC)CC1 ZINC000981451245 613692275 /nfs/dbraw/zinc/69/22/75/613692275.db2.gz QYYLVEGPHZZPMM-WBVHZDCISA-N 0 1 278.440 2.923 20 30 CFEDMN C=CCN1CCCN(C(=O)[C@H]2CCCC[C@H]2C2CC2)CC1 ZINC000981684656 613693883 /nfs/dbraw/zinc/69/38/83/613693883.db2.gz IWHMZOJFSZLUQJ-IRXDYDNUSA-N 0 1 290.451 2.923 20 30 CFEDMN C=CCN1CCCN(C(=O)[C@H]2CCC[C@H]2CCC)CC1 ZINC000981501275 613694564 /nfs/dbraw/zinc/69/45/64/613694564.db2.gz NSRFHGIWINPHNF-CVEARBPZSA-N 0 1 278.440 2.923 20 30 CFEDMN C=CCN1CCCN(C(=O)[C@H]2CCC[C@H]2CC)CC1 ZINC000981895808 613695018 /nfs/dbraw/zinc/69/50/18/613695018.db2.gz UXIWWSPJEIEYLI-CABCVRRESA-N 0 1 264.413 2.533 20 30 CFEDMN C=CCN1CCCN(C(=O)[C@H]2C[C@]2(CC)C(C)C)CC1 ZINC000983391436 613695342 /nfs/dbraw/zinc/69/53/42/613695342.db2.gz WAPRXBYACMCZBO-NVXWUHKLSA-N 0 1 278.440 2.779 20 30 CFEDMN C=CCN1CCCN(C(=O)c2nccc3ccccc32)CC1 ZINC000981840775 613699513 /nfs/dbraw/zinc/69/95/13/613699513.db2.gz XXIJFWHSJULIPJ-UHFFFAOYSA-N 0 1 295.386 2.569 20 30 CFEDMN C=CCN1CC[C@@H](C)[C@@H](NC(=O)C2(C3CCC3)CCC2)C1 ZINC000967497797 613727282 /nfs/dbraw/zinc/72/72/82/613727282.db2.gz OBESCBJZVFPKGX-ZBFHGGJFSA-N 0 1 290.451 2.969 20 30 CFEDMN C=CCN1CC[C@@H](C)[C@@H](NC(=O)c2c(C)cccc2F)C1 ZINC000968690938 613729140 /nfs/dbraw/zinc/72/91/40/613729140.db2.gz CEBSSKNVXLMDMG-DOMZBBRYSA-N 0 1 290.382 2.760 20 30 CFEDMN C=CCN1CC[C@@H](C)[C@@H](NC(=O)c2ccc(C)cc2)C1 ZINC000968583081 613729799 /nfs/dbraw/zinc/72/97/99/613729799.db2.gz JKEGQRFYKAEWBA-ZBFHGGJFSA-N 0 1 272.392 2.621 20 30 CFEDMN C=CCN1CC[C@@H](C)[C@H](NC(=O)c2c[nH]cc2C2CC2)C1 ZINC000968488173 613733521 /nfs/dbraw/zinc/73/35/21/613733521.db2.gz IXCQBFRBLYNGMZ-MLGOLLRUSA-N 0 1 287.407 2.518 20 30 CFEDMN C=CCN1CC[C@@H](C)[C@H](NC(=O)c2ccc(C3CC3)cn2)C1 ZINC000968598893 613734133 /nfs/dbraw/zinc/73/41/33/613734133.db2.gz NGCYYNGOTKIYGR-CXAGYDPISA-N 0 1 299.418 2.585 20 30 CFEDMN C=CCN1CC[C@@H](C)[C@H](NC(=O)c2cc[nH]c2C(C)C)C1 ZINC000967963590 613734145 /nfs/dbraw/zinc/73/41/45/613734145.db2.gz DRSIISHAHDXGOE-UKRRQHHQSA-N 0 1 289.423 2.764 20 30 CFEDMN C=CCN1CC[C@@H](C)[C@H](NC(=O)c2ccccc2Cl)C1 ZINC000968574222 613735439 /nfs/dbraw/zinc/73/54/39/613735439.db2.gz DQTWZTFOOHEFTD-IUODEOHRSA-N 0 1 292.810 2.966 20 30 CFEDMN C=CCN1CC[C@H](C)[C@@H](NC(=O)C2(c3ccccc3)CC2)C1 ZINC000968615131 613766977 /nfs/dbraw/zinc/76/69/77/613766977.db2.gz SESSBROINCELIG-RDJZCZTQSA-N 0 1 298.430 2.731 20 30 CFEDMN C=CCN1CC[C@H](C)[C@@H](NC(=O)c2c[nH]c3ccccc23)C1 ZINC000967275124 613767747 /nfs/dbraw/zinc/76/77/47/613767747.db2.gz UPOHHXMZLYJKAP-GUYCJALGSA-N 0 1 297.402 2.794 20 30 CFEDMN C=CCN1CC[C@H](C)[C@@H](NC(=O)c2c(C)cccc2C)C1 ZINC000968339787 613768202 /nfs/dbraw/zinc/76/82/02/613768202.db2.gz KABQYXGFYGCAPJ-BBRMVZONSA-N 0 1 286.419 2.930 20 30 CFEDMN C=CCN1CC[C@H](C)[C@@H](NC(=O)c2cc3ccccn3c2)C1 ZINC000968381722 613768793 /nfs/dbraw/zinc/76/87/93/613768793.db2.gz GFAFWEPRXKEWRM-YOEHRIQHSA-N 0 1 297.402 2.566 20 30 CFEDMN C=CCN1CC[C@H](C)[C@@H](NC(=O)c2ccccc2C)C1 ZINC000964772453 613769254 /nfs/dbraw/zinc/76/92/54/613769254.db2.gz MTQVUKHALIZNAC-HOCLYGCPSA-N 0 1 272.392 2.621 20 30 CFEDMN C=CCN1CC[C@H](C)[C@@H](NC(=O)c2cccc3c2CCC3)C1 ZINC000968695980 613769367 /nfs/dbraw/zinc/76/93/67/613769367.db2.gz XVVRFJSAMXACOO-KSSFIOAISA-N 0 1 298.430 2.802 20 30 CFEDMN C=CCN1CC[C@H](C)[C@H](NC(=O)c2c(C)cccc2F)C1 ZINC000968690940 613772661 /nfs/dbraw/zinc/77/26/61/613772661.db2.gz CEBSSKNVXLMDMG-SWLSCSKDSA-N 0 1 290.382 2.760 20 30 CFEDMN C=CCN1CC[C@H](C)[C@H](NC(=O)c2cc(C)ccc2C)C1 ZINC000968589098 613773257 /nfs/dbraw/zinc/77/32/57/613773257.db2.gz QMPOQLJRCXNBTG-DOTOQJQBSA-N 0 1 286.419 2.930 20 30 CFEDMN C=CCN1CC[C@H](C)[C@H](NC(=O)c2ccc(Cl)o2)C1 ZINC000965177053 613773774 /nfs/dbraw/zinc/77/37/74/613773774.db2.gz KTJMZQIAHCBBFC-WDEREUQCSA-N 0 1 282.771 2.559 20 30 CFEDMN C=CCN1C[C@@H](NC(=O)C2(C)CCCC2)C(C)(C)C1 ZINC000974871152 613806024 /nfs/dbraw/zinc/80/60/24/613806024.db2.gz NEONSMUBAOLJTK-CYBMUJFWSA-N 0 1 264.413 2.579 20 30 CFEDMN C=CCN1C[C@@H](NC(=O)[C@@H]2CCCC2(C)C)C(C)(C)C1 ZINC000974934496 613807817 /nfs/dbraw/zinc/80/78/17/613807817.db2.gz IIRUVTOHBKNTEV-UONOGXRCSA-N 0 1 278.440 2.825 20 30 CFEDMN C=CCN1C[C@@H](NC(=O)c2ccc(CC)cc2)C(C)(C)C1 ZINC000977567567 613810015 /nfs/dbraw/zinc/81/00/15/613810015.db2.gz DFWRBJPVWLLKCD-MRXNPFEDSA-N 0 1 286.419 2.875 20 30 CFEDMN C=CCN1C[C@@H](NC(=O)c2ccc(F)c(F)c2)C(C)(C)C1 ZINC000974686895 613810242 /nfs/dbraw/zinc/81/02/42/613810242.db2.gz YUEMPVRTDGXDFJ-CQSZACIVSA-N 0 1 294.345 2.591 20 30 CFEDMN C=CCN1C[C@H](NC(=O)C2CCCCCC2)C(C)(C)C1 ZINC000972857810 613826605 /nfs/dbraw/zinc/82/66/05/613826605.db2.gz OKUVFZBPVSYBPI-HNNXBMFYSA-N 0 1 278.440 2.969 20 30 CFEDMN C=CCN1C[C@H](NC(=O)[C@H]2CCCC23CC3)C(C)(C)C1 ZINC000974739566 613827783 /nfs/dbraw/zinc/82/77/83/613827783.db2.gz KFWPNINUVWAXSC-KGLIPLIRSA-N 0 1 276.424 2.579 20 30 CFEDMN C=CCN1C[C@H](NC(=O)c2cccc3cc[nH]c32)C(C)(C)C1 ZINC000975064480 613829387 /nfs/dbraw/zinc/82/93/87/613829387.db2.gz NYFZOLAKOVHQDA-HNNXBMFYSA-N 0 1 297.402 2.794 20 30 CFEDMN C=CCN1C[C@H](NC(=O)c2cscc2C)C(C)(C)C1 ZINC000973008801 613830256 /nfs/dbraw/zinc/83/02/56/613830256.db2.gz GRYPSZSZPKXXCK-ZDUSSCGKSA-N 0 1 278.421 2.683 20 30 CFEDMN CCC(=O)N(C)[C@@H]1CCCN(Cc2ccccc2C#N)CC1 ZINC000948117125 614466032 /nfs/dbraw/zinc/46/60/32/614466032.db2.gz SDYIXAHUYOABDG-QGZVFWFLSA-N 0 1 299.418 2.781 20 30 CFEDMN CCC(=O)N(C)[C@H]1CCCN(CC#Cc2ccccc2)CC1 ZINC000948116499 614477004 /nfs/dbraw/zinc/47/70/04/614477004.db2.gz KBBFCHCINGKZKZ-SFHVURJKSA-N 0 1 298.430 2.761 20 30 CFEDMN COC(=O)C[C@@H](NCc1ccccc1C#N)C(C)(C)C ZINC000934027207 617866247 /nfs/dbraw/zinc/86/62/47/617866247.db2.gz SGRKJOCZIGJTTO-CQSZACIVSA-N 0 1 274.364 2.626 20 30 CFEDMN Cc1cn[nH]c1CNc1cc(C#N)ccc1OC(C)C ZINC000811487897 617628535 /nfs/dbraw/zinc/62/85/35/617628535.db2.gz ACBOKAISNAVAMB-UHFFFAOYSA-N 0 1 270.336 2.989 20 30 CFEDMN C=CC[C@@H]1CCN1C(=O)c1cc(C)cc2c[nH]nc21 ZINC000890559569 617652119 /nfs/dbraw/zinc/65/21/19/617652119.db2.gz ASZLTFBSKAYOKG-GFCCVEGCSA-N 0 1 255.321 2.662 20 30 CFEDMN Cl/C=C\CON=Cc1ccc(N2CCOCC2)cc1 ZINC000811672333 617717883 /nfs/dbraw/zinc/71/78/83/617717883.db2.gz WNDWGUVYQNSWEI-YBYUQGJCSA-N 0 1 280.755 2.626 20 30 CFEDMN C=C1CCC(C(=O)N2CCN(C)C[C@@H]2C(C)C)CC1 ZINC000889095136 617726148 /nfs/dbraw/zinc/72/61/48/617726148.db2.gz BDUHFXAWMZAJFI-OAHLLOKOSA-N 0 1 264.413 2.531 20 30 CFEDMN C#C[C@@H]1CCCCN1C(=O)c1cc(-c2ccccc2)[nH]n1 ZINC000890645628 617730468 /nfs/dbraw/zinc/73/04/68/617730468.db2.gz HIDGAQGXSIOJBZ-CQSZACIVSA-N 0 1 279.343 2.705 20 30 CFEDMN CN(Cc1cc(C#N)cs1)C[C@H]1CC2(CCC2)C(=O)O1 ZINC000933773400 617775795 /nfs/dbraw/zinc/77/57/95/617775795.db2.gz MDAUUUSUQJKKID-GFCCVEGCSA-N 0 1 290.388 2.537 20 30 CFEDMN C[C@@H]1CCCCN1CCNc1cc(C#N)sc1[N+](=O)[O-] ZINC000891837203 617779360 /nfs/dbraw/zinc/77/93/60/617779360.db2.gz CZVREGCABQMTQK-SNVBAGLBSA-N 0 1 294.380 2.814 20 30 CFEDMN C=C[C@@H](CC)CC(=O)NCCc1nc2ccc(F)cc2[nH]1 ZINC000933852328 617794306 /nfs/dbraw/zinc/79/43/06/617794306.db2.gz NMKJUKRUKVVEMO-NSHDSACASA-N 0 1 289.354 2.963 20 30 CFEDMN Cn1cc(C=NNc2ccccc2[N+](=O)[O-])c(C2CC2)n1 ZINC000901124548 620753722 /nfs/dbraw/zinc/75/37/22/620753722.db2.gz YYGCUKLCIQBAIF-UHFFFAOYSA-N 0 1 285.307 2.652 20 30 CFEDMN CC1(C)CCC[C@H](C(=O)C(C#N)C(=O)N2CCCC2)C1 ZINC000179379725 620756395 /nfs/dbraw/zinc/75/63/95/620756395.db2.gz DFTQCJFPOISGMV-QWHCGFSZSA-N 0 1 276.380 2.534 20 30 CFEDMN COc1cccc(NN=C(C)c2sc(C)nc2C)n1 ZINC000779819187 617852920 /nfs/dbraw/zinc/85/29/20/617852920.db2.gz KKURFBQQIUBZKU-UHFFFAOYSA-N 0 1 276.365 3.000 20 30 CFEDMN Nc1nc(Cl)cc(N=NCc2cscc2Cl)n1 ZINC000778548890 617864780 /nfs/dbraw/zinc/86/47/80/617864780.db2.gz KOCCPUUTBFOFII-UHFFFAOYSA-N 0 1 288.163 2.873 20 30 CFEDMN CCn1cc(C=NNc2nc3ccccc3n2C)c(C)n1 ZINC000901170514 620761323 /nfs/dbraw/zinc/76/13/23/620761323.db2.gz XHBCZRFZBUSXGF-UHFFFAOYSA-N 0 1 282.351 2.544 20 30 CFEDMN C=CCCCN(CC)C(=O)[C@H]1c2cn[nH]c2CC[C@H]1C ZINC000890809901 617908658 /nfs/dbraw/zinc/90/86/58/617908658.db2.gz HBOLHJBJXLRJIH-IUODEOHRSA-N 0 1 275.396 2.890 20 30 CFEDMN C=CCCCN(CC)C(=O)[C@@H]1CCCc2[nH]ncc21 ZINC000890813563 617910751 /nfs/dbraw/zinc/91/07/51/617910751.db2.gz MLXABADUJLQCMI-GFCCVEGCSA-N 0 1 261.369 2.644 20 30 CFEDMN CCOC(=O)[C@H]1CC[N@@H+](CC#Cc2cccc(Cl)c2)C1 ZINC000932641256 617913105 /nfs/dbraw/zinc/91/31/05/617913105.db2.gz HIUVTSJQKHMSIJ-AWEZNQCLSA-N 0 1 291.778 2.577 20 30 CFEDMN CCOC(=O)[C@H]1CCN(CC#Cc2cccc(Cl)c2)C1 ZINC000932641256 617913106 /nfs/dbraw/zinc/91/31/06/617913106.db2.gz HIUVTSJQKHMSIJ-AWEZNQCLSA-N 0 1 291.778 2.577 20 30 CFEDMN CC1(C2CCN(Cc3csc(C#N)c3)CC2)OCCO1 ZINC000892023508 617917128 /nfs/dbraw/zinc/91/71/28/617917128.db2.gz LGANGMAUXVHDPC-UHFFFAOYSA-N 0 1 292.404 2.595 20 30 CFEDMN C=CC1(CC(=O)N[C@H](CCC)c2nn[nH]n2)CCCCC1 ZINC000934310499 617996030 /nfs/dbraw/zinc/99/60/30/617996030.db2.gz BEDZOWRHNLNSAZ-GFCCVEGCSA-N 0 1 291.399 2.684 20 30 CFEDMN COc1ccc(/C=C\C(=O)c2cc(O)ccc2O)cc1C#N ZINC000255140665 618003107 /nfs/dbraw/zinc/00/31/07/618003107.db2.gz ZDJQVVHKXWVVCV-DJWKRKHSSA-N 0 1 295.294 2.874 20 30 CFEDMN CC(C)(O)c1ccc(C=NNc2ccc(F)cn2)cc1 ZINC000807971915 618008380 /nfs/dbraw/zinc/00/83/80/618008380.db2.gz DXSAPBVJENVNHI-UHFFFAOYSA-N 0 1 273.311 2.894 20 30 CFEDMN C#C[C@@H]1CCCCN1Cc1cccc(NC(C)=O)c1 ZINC000934512070 618060255 /nfs/dbraw/zinc/06/02/55/618060255.db2.gz YVIKUDZLTNFVGV-MRXNPFEDSA-N 0 1 256.349 2.633 20 30 CFEDMN C=C[C@H](C)NC(=O)c1ccc(CN2CCCCC2)o1 ZINC000934528617 618065089 /nfs/dbraw/zinc/06/50/89/618065089.db2.gz LLMCBKHRXKIVIR-LBPRGKRZSA-N 0 1 262.353 2.570 20 30 CFEDMN C#CCCCCCC(=O)Nc1nc(-c2ccco2)n[nH]1 ZINC000780341185 618091198 /nfs/dbraw/zinc/09/11/98/618091198.db2.gz JHEYCAMWNINWKS-UHFFFAOYSA-N 0 1 272.308 2.587 20 30 CFEDMN C=C(Br)CN[C@@H](CO)[C@@H](C)c1ccccc1 ZINC000309355309 618104011 /nfs/dbraw/zinc/10/40/11/618104011.db2.gz NVBAWRZZGMFKJK-AAEUAGOBSA-N 0 1 284.197 2.649 20 30 CFEDMN C=C(Br)CN[C@@H](CO)[C@H](C)c1ccccc1 ZINC000309355315 618104181 /nfs/dbraw/zinc/10/41/81/618104181.db2.gz NVBAWRZZGMFKJK-YPMHNXCESA-N 0 1 284.197 2.649 20 30 CFEDMN C#Cc1ccc(NC(=O)[C@@H]2C[C@@H](C)Cc3cn[nH]c32)cc1 ZINC000891312906 618120235 /nfs/dbraw/zinc/12/02/35/618120235.db2.gz CTZXWPHUTPKAQI-XHDPSFHLSA-N 0 1 279.343 2.696 20 30 CFEDMN C[C@@H](N[C@@H](CCCC#N)c1ccccc1)c1cnnn1C ZINC000926478994 618151675 /nfs/dbraw/zinc/15/16/75/618151675.db2.gz GQHUXCNCNMEABR-HIFRSBDPSA-N 0 1 283.379 2.901 20 30 CFEDMN Cc1cc(N(C)C)ccc1C=NO[C@@H]1CCCCO1 ZINC000841633561 618173805 /nfs/dbraw/zinc/17/38/05/618173805.db2.gz UTXNXOZHNUXXDU-OAHLLOKOSA-N 0 1 262.353 2.938 20 30 CFEDMN C=CCCC(C)(C)CNC(=O)N1C[C@H]2CCC[C@@H](C1)N2 ZINC000892350985 618175569 /nfs/dbraw/zinc/17/55/69/618175569.db2.gz CRJJJDMORJVHSH-OKILXGFUSA-N 0 1 279.428 2.515 20 30 CFEDMN C=CCN(CC=C)Cc1ccc(N2CCOCC2)c(F)c1 ZINC000158130987 618188583 /nfs/dbraw/zinc/18/85/83/618188583.db2.gz LHSSVTNVEOLIRM-UHFFFAOYSA-N 0 1 290.382 2.836 20 30 CFEDMN C#CCOc1ccc(NC(=O)c2cccc3nc[nH]c32)cc1 ZINC000159458986 618205006 /nfs/dbraw/zinc/20/50/06/618205006.db2.gz GRLABWNQAXJCNN-UHFFFAOYSA-N 0 1 291.310 2.827 20 30 CFEDMN COc1ccc(OC)c(C(=O)Nc2cc(C#N)ccc2O)c1 ZINC000176820011 618205851 /nfs/dbraw/zinc/20/58/51/618205851.db2.gz SXSWQMAHGYRQHF-UHFFFAOYSA-N 0 1 298.298 2.533 20 30 CFEDMN Cc1cccc(C)c1OCC(=O)Nc1cc(C#N)ccc1O ZINC000176822812 618207042 /nfs/dbraw/zinc/20/70/42/618207042.db2.gz FGYLFXDGGDKSFS-UHFFFAOYSA-N 0 1 296.326 2.898 20 30 CFEDMN N#Cc1ccc(O)c(NC(=O)CCCc2ccccn2)c1 ZINC000176830400 618207853 /nfs/dbraw/zinc/20/78/53/618207853.db2.gz YVCDFICSMXBNGO-UHFFFAOYSA-N 0 1 281.315 2.620 20 30 CFEDMN C#CCN(C)[C@H]1CCN(C(=O)c2ccc(C(C)C)cc2)C1 ZINC000972790143 618235660 /nfs/dbraw/zinc/23/56/60/618235660.db2.gz SSBGKVGWMDMOAG-KRWDZBQOSA-N 0 1 284.403 2.590 20 30 CFEDMN C=C(C)CN1CCC[C@H](NC(=O)c2ccccc2C)C1 ZINC001006633633 618249085 /nfs/dbraw/zinc/24/90/85/618249085.db2.gz WSGOVLOMQGAEMG-HNNXBMFYSA-N 0 1 272.392 2.765 20 30 CFEDMN C[C@@H]1CO[C@@H](C(=O)C(C#N)c2nc3ccccc3s2)C1 ZINC000892428153 618257078 /nfs/dbraw/zinc/25/70/78/618257078.db2.gz ZTEDXTYLRKOMOB-JBLDHEPKSA-N 0 1 286.356 2.898 20 30 CFEDMN C[C@H]1CC(=NNc2ccc(Cl)cc2F)c2ncnn21 ZINC000901318602 620790742 /nfs/dbraw/zinc/79/07/42/620790742.db2.gz VYOGXJNBOWVIOZ-ZETCQYMHSA-N 0 1 279.706 2.852 20 30 CFEDMN CN(C)[C@@H](CNCC#Cc1ccccc1)c1ccco1 ZINC000892433823 618266212 /nfs/dbraw/zinc/26/62/12/618266212.db2.gz CMWMBUWABLHADP-INIZCTEOSA-N 0 1 268.360 2.524 20 30 CFEDMN C=CCN1CCC[C@H](NC(=O)CC2CC(C)(C)C2)C1 ZINC001008284410 618275357 /nfs/dbraw/zinc/27/53/57/618275357.db2.gz ZSWFPOSGWLLDOT-AWEZNQCLSA-N 0 1 264.413 2.579 20 30 CFEDMN C#C[C@H](N[C@H](C)c1ccc(OC)cc1)[C@H]1CCCO1 ZINC000775574057 618280957 /nfs/dbraw/zinc/28/09/57/618280957.db2.gz NJAFCUSKCZLWEM-UHOFOFEASA-N 0 1 259.349 2.527 20 30 CFEDMN COc1ccc(CNCc2ccc(CC#N)cc2)o1 ZINC000895090551 618284106 /nfs/dbraw/zinc/28/41/06/618284106.db2.gz OWQPCZATMMYUGK-UHFFFAOYSA-N 0 1 256.305 2.644 20 30 CFEDMN C=CCN1CCCC[C@H]1CNC(=O)c1sccc1C ZINC001024295296 618290566 /nfs/dbraw/zinc/29/05/66/618290566.db2.gz AYPDYCNKCCOFHR-ZDUSSCGKSA-N 0 1 278.421 2.827 20 30 CFEDMN C=CCN1CCCC[C@@H]1CNC(=O)c1cccc(C)c1 ZINC001024312331 618292453 /nfs/dbraw/zinc/29/24/53/618292453.db2.gz HPWSHMZWMIRBQN-MRXNPFEDSA-N 0 1 272.392 2.765 20 30 CFEDMN C=CCN1CCCC[C@@H]1CNC(=O)c1cscc1C ZINC001024381017 618302502 /nfs/dbraw/zinc/30/25/02/618302502.db2.gz WBHGFOHLZBMSLB-CYBMUJFWSA-N 0 1 278.421 2.827 20 30 CFEDMN N#CCCNCCc1cccc(OC(F)(F)F)c1 ZINC000894084674 618308135 /nfs/dbraw/zinc/30/81/35/618308135.db2.gz VBYVZBVDCMWZHY-UHFFFAOYSA-N 0 1 258.243 2.631 20 30 CFEDMN C#CCN1CCCC[C@H]1CNC(=O)[C@H]1CCCC2(CC2)C1 ZINC001024437726 618316750 /nfs/dbraw/zinc/31/67/50/618316750.db2.gz ACIVVCDXTFUSDJ-HOTGVXAUSA-N 0 1 288.435 2.561 20 30 CFEDMN C[C@@H]1CCC[C@H](C(=O)C(C#N)C(=O)NC2CCCCC2)C1 ZINC000246652442 618336788 /nfs/dbraw/zinc/33/67/88/618336788.db2.gz WRPNXTIHAOFXDK-IPYPFGDCSA-N 0 1 290.407 2.970 20 30 CFEDMN CC(C)Nc1ncccc1C(=O)Nc1cc(C#N)ccc1O ZINC000179728925 618343252 /nfs/dbraw/zinc/34/32/52/618343252.db2.gz TWAYPXPUAJVFLL-UHFFFAOYSA-N 0 1 296.330 2.731 20 30 CFEDMN Cc1ncc(/C=C/C(=O)Nc2cc(C#N)ccc2O)s1 ZINC000179735148 618343795 /nfs/dbraw/zinc/34/37/95/618343795.db2.gz OABSLORJYODIKP-HWKANZROSA-N 0 1 285.328 2.681 20 30 CFEDMN C#CCN1CCCC[C@H]1CNC(=O)C1CCCCCCC1 ZINC001024545505 618359176 /nfs/dbraw/zinc/35/91/76/618359176.db2.gz JOKGUDULZNSRPN-KRWDZBQOSA-N 0 1 290.451 2.951 20 30 CFEDMN C=CCN1CCCC[C@@H]1CNC(=O)[C@@H]1C[C@H]1C(C)(C)C ZINC001024549163 618362278 /nfs/dbraw/zinc/36/22/78/618362278.db2.gz QTVCUQCUNBGUGF-RBSFLKMASA-N 0 1 278.440 2.825 20 30 CFEDMN CCCCCCCNCc1nc(Br)nn1C ZINC000894153099 618401140 /nfs/dbraw/zinc/40/11/40/618401140.db2.gz UWTJPDMUBGRERT-UHFFFAOYSA-N 0 1 289.221 2.638 20 30 CFEDMN C#CCONC(=O)[C@@H](CCC)c1ccc(Cl)cc1 ZINC000855606428 618401465 /nfs/dbraw/zinc/40/14/65/618401465.db2.gz HWKMTEMKFCSZJM-ZDUSSCGKSA-N 0 1 265.740 2.905 20 30 CFEDMN C=CCN1CCCC[C@H]1CNC(=O)[C@@H]1CCC1(C)C ZINC001024596803 618405795 /nfs/dbraw/zinc/40/57/95/618405795.db2.gz KFZWZFJXAKBLMO-KBPBESRZSA-N 0 1 264.413 2.579 20 30 CFEDMN C=CCCCC(=O)N(C)[C@@H](c1nnc[nH]1)c1ccccc1 ZINC000909489223 618415780 /nfs/dbraw/zinc/41/57/80/618415780.db2.gz RJEVVRDDICZMJC-OAHLLOKOSA-N 0 1 284.363 2.709 20 30 CFEDMN C=CCCONC(=O)C(C)(C)c1ccccc1F ZINC000856031292 618422783 /nfs/dbraw/zinc/42/27/83/618422783.db2.gz KCBPFZFDXXSRHX-UHFFFAOYSA-N 0 1 251.301 2.727 20 30 CFEDMN C=CCN1CCCC[C@@H]1CNC(=O)[C@H]1CCC(C)(C)C1 ZINC001024633069 618426434 /nfs/dbraw/zinc/42/64/34/618426434.db2.gz FBXLQOOTAFJNJI-LSDHHAIUSA-N 0 1 278.440 2.969 20 30 CFEDMN C=CCN1CCCC[C@@H]1CNC(=O)[C@@H]1C[C@H]1CCC ZINC001024642601 618430486 /nfs/dbraw/zinc/43/04/86/618430486.db2.gz XKJVNSWMERFQBC-RBSFLKMASA-N 0 1 264.413 2.579 20 30 CFEDMN C#CCN1CCCC[C@H]1CNC(=O)c1cc(C)ccc1C ZINC001024780538 618468315 /nfs/dbraw/zinc/46/83/15/618468315.db2.gz XQYIZSPOUYCZCN-INIZCTEOSA-N 0 1 284.403 2.521 20 30 CFEDMN CC#CCN1CCCC[C@@H]1CNC(=O)c1cc(C)ccc1C ZINC001024776855 618469272 /nfs/dbraw/zinc/46/92/72/618469272.db2.gz BGHMVNHGPOPOMC-QGZVFWFLSA-N 0 1 298.430 2.911 20 30 CFEDMN CC#CCN1CCCC[C@H]1CNC(=O)c1cc(C)ccc1C ZINC001024776854 618469656 /nfs/dbraw/zinc/46/96/56/618469656.db2.gz BGHMVNHGPOPOMC-KRWDZBQOSA-N 0 1 298.430 2.911 20 30 CFEDMN CC(N=Nc1cnc2ccccc2n1)c1csc(N)n1 ZINC000727256810 618472575 /nfs/dbraw/zinc/47/25/75/618472575.db2.gz UNVWXUIVUHDXDK-UHFFFAOYSA-N 0 1 284.348 2.505 20 30 CFEDMN Cc1n[nH]c(C)c1C=NNc1ccc(Br)cn1 ZINC000727266489 618473855 /nfs/dbraw/zinc/47/38/55/618473855.db2.gz VEIYYQOCZOLHPB-UHFFFAOYSA-N 0 1 294.156 2.630 20 30 CFEDMN Cc1ccc([N-]N=C2c3ccccc3N(C(C)C)C2=O)[nH+]c1 ZINC000727260563 618476740 /nfs/dbraw/zinc/47/67/40/618476740.db2.gz YPSCOERVWVWCFP-UHFFFAOYSA-N 0 1 294.358 2.961 20 30 CFEDMN C=CCCSCCNCc1ccnc(OC)c1F ZINC000895328822 618534702 /nfs/dbraw/zinc/53/47/02/618534702.db2.gz BEAMWEYJPVFODQ-UHFFFAOYSA-N 0 1 270.373 2.628 20 30 CFEDMN C#CC1(O)CCN(Cc2ccccc2OCC(C)C)CC1 ZINC000895386215 618562568 /nfs/dbraw/zinc/56/25/68/618562568.db2.gz VWSBIXNXOIMXRF-UHFFFAOYSA-N 0 1 287.403 2.682 20 30 CFEDMN C[C@H](CC(C)(C)C#N)N[C@H](CO)c1ccc(F)cc1F ZINC000895458627 618596666 /nfs/dbraw/zinc/59/66/66/618596666.db2.gz GQJLPMDNQDZBPP-QMTHXVAHSA-N 0 1 282.334 2.916 20 30 CFEDMN C=CCS(=O)(=O)CCN[C@H](C)c1cc(C)ccc1C ZINC000783530581 618715951 /nfs/dbraw/zinc/71/59/51/618715951.db2.gz BYRVASVAZZDYQC-CQSZACIVSA-N 0 1 281.421 2.555 20 30 CFEDMN CC1(C)[C@@H](O)CCN1Cc1cc(Cl)cc(C#N)c1 ZINC000930530506 618856852 /nfs/dbraw/zinc/85/68/52/618856852.db2.gz SZZBYVGXZKTVRG-ZDUSSCGKSA-N 0 1 264.756 2.557 20 30 CFEDMN N#Cc1cc(Cl)cc(C[N@@H+]2CCC[C@@H](CO)CC2)c1 ZINC000930588839 618875835 /nfs/dbraw/zinc/87/58/35/618875835.db2.gz JGFFAMLRPFJHRX-GFCCVEGCSA-N 0 1 278.783 2.806 20 30 CFEDMN N#Cc1cc(Cl)cc(CN2CCC[C@@H](CO)CC2)c1 ZINC000930588839 618875838 /nfs/dbraw/zinc/87/58/38/618875838.db2.gz JGFFAMLRPFJHRX-GFCCVEGCSA-N 0 1 278.783 2.806 20 30 CFEDMN CCO[C@@H]1C[C@@H](N[C@H](CCC#N)c2ccccc2)[C@H]1OC ZINC000893193862 618876142 /nfs/dbraw/zinc/87/61/42/618876142.db2.gz AYWNKUTXLJKKRU-QBPKDAKJSA-N 0 1 288.391 2.813 20 30 CFEDMN C=CCN1CCC[C@H](NC(=O)c2c(C)[nH]c3ccccc32)C1 ZINC001007859299 618880187 /nfs/dbraw/zinc/88/01/87/618880187.db2.gz MMOZOUUBTFQUMR-AWEZNQCLSA-N 0 1 297.402 2.857 20 30 CFEDMN COC/C(C)=C/CN1CCc2c(CC#N)cccc2C1 ZINC000931332277 618949277 /nfs/dbraw/zinc/94/92/77/618949277.db2.gz BVOITRXNKUCPHF-VGOFMYFVSA-N 0 1 270.376 2.703 20 30 CFEDMN C#CC[N@@H+](Cc1cc(=O)oc2cc([O-])ccc12)C1CCCC1 ZINC000182453939 625308119 /nfs/dbraw/zinc/30/81/19/625308119.db2.gz BZABPCZNOBITRY-UHFFFAOYSA-N 0 1 297.354 2.876 20 30 CFEDMN C#CC[N@H+](Cc1cc(=O)oc2cc([O-])ccc12)C1CCCC1 ZINC000182453939 625308125 /nfs/dbraw/zinc/30/81/25/625308125.db2.gz BZABPCZNOBITRY-UHFFFAOYSA-N 0 1 297.354 2.876 20 30 CFEDMN C=CCN(CCc1ccco1)Cc1c2c(nn1C)CCC2 ZINC000893421791 618986283 /nfs/dbraw/zinc/98/62/83/618986283.db2.gz SFQUTLXIYIIYQU-UHFFFAOYSA-N 0 1 285.391 2.733 20 30 CFEDMN N#CCC1CCN(Cc2cnn(CC3CCC3)c2)CC1 ZINC000893486214 619016132 /nfs/dbraw/zinc/01/61/32/619016132.db2.gz BRUIWRHZFMEZLJ-UHFFFAOYSA-N 0 1 272.396 2.809 20 30 CFEDMN N#Cc1cc(CN2CCC(CCCO)CC2)cs1 ZINC000893503009 619023276 /nfs/dbraw/zinc/02/32/76/619023276.db2.gz PJKJEFWIEHPTOD-UHFFFAOYSA-N 0 1 264.394 2.604 20 30 CFEDMN CC(C)(C)c1n[nH]cc1CNCc1cccc(C#N)c1 ZINC000066971915 619107436 /nfs/dbraw/zinc/10/74/36/619107436.db2.gz IXRXTGZCOJVEEI-UHFFFAOYSA-N 0 1 268.364 2.869 20 30 CFEDMN COc1cc(CNCc2ccc(O[C@@H](C)C#N)cc2)ccn1 ZINC000237105469 619262752 /nfs/dbraw/zinc/26/27/52/619262752.db2.gz CHDKOHWPRBHHGB-ZDUSSCGKSA-N 0 1 297.358 2.671 20 30 CFEDMN FC(F)(F)C1(CNCC#Cc2ccccc2)CC1 ZINC000894419890 619379682 /nfs/dbraw/zinc/37/96/82/619379682.db2.gz VTWQLFXQKWTOEY-UHFFFAOYSA-N 0 1 253.267 2.970 20 30 CFEDMN C=CCN(CCc1ccco1)Cc1c(C)ccnc1N ZINC000894423722 619380446 /nfs/dbraw/zinc/38/04/46/619380446.db2.gz YWRZROUUKGUVKS-UHFFFAOYSA-N 0 1 271.364 2.796 20 30 CFEDMN Cc1cc(C#N)ccc1N1CCC[C@H](N2CCOCC2)CC1 ZINC000894437314 619385450 /nfs/dbraw/zinc/38/54/50/619385450.db2.gz XGKHQHPLIQQARY-KRWDZBQOSA-N 0 1 299.418 2.558 20 30 CFEDMN CCOC(=O)c1ccc(CN[C@H](C)CC(C)(C)C#N)o1 ZINC000894464903 619391994 /nfs/dbraw/zinc/39/19/94/619391994.db2.gz JBYSFZHJIVGSPJ-LLVKDONJSA-N 0 1 278.352 2.874 20 30 CFEDMN N#Cc1cc(CN2CC[C@@](CO)(c3ccccc3)C2)cs1 ZINC000894572484 619421811 /nfs/dbraw/zinc/42/18/11/619421811.db2.gz JCCQDNUSSBAPPM-QGZVFWFLSA-N 0 1 298.411 2.756 20 30 CFEDMN COC[C@@H]1CCCCN1Cc1csc(C#N)c1 ZINC000894785065 619467160 /nfs/dbraw/zinc/46/71/60/619467160.db2.gz URECTIRMBCJUOX-LBPRGKRZSA-N 0 1 250.367 2.621 20 30 CFEDMN Cc1coc(CN2CC[C@@H](Oc3ccc(C#N)cn3)C2)c1 ZINC000894840703 619479927 /nfs/dbraw/zinc/47/99/27/619479927.db2.gz XJTDHPAWZRWIEJ-CQSZACIVSA-N 0 1 283.331 2.508 20 30 CFEDMN Cc1c(C#N)c(NC[C@@H]2CCN2C)nc2ccccc12 ZINC000895768562 619602616 /nfs/dbraw/zinc/60/26/16/619602616.db2.gz FOCAHQZNSDAZMH-LBPRGKRZSA-N 0 1 266.348 2.531 20 30 CFEDMN CN1CC[C@@H]1CNc1cccc(C(F)F)c1C#N ZINC000895768820 619602786 /nfs/dbraw/zinc/60/27/86/619602786.db2.gz IDAVJJBQOBMTPZ-SECBINFHSA-N 0 1 251.280 2.612 20 30 CFEDMN CN1CC[C@H]1CNc1ccc(C#N)cc1C(F)(F)F ZINC000895769759 619603366 /nfs/dbraw/zinc/60/33/66/619603366.db2.gz HRVMZOWWTFOHIB-JTQLQIEISA-N 0 1 269.270 2.693 20 30 CFEDMN C#CCN1CCC(Nc2cc3c(F)cccc3cn2)CC1 ZINC000895810623 619610278 /nfs/dbraw/zinc/61/02/78/619610278.db2.gz GZOIPGJLBZEQDS-UHFFFAOYSA-N 0 1 283.350 2.883 20 30 CFEDMN C=CCC1(O)CCN(Cc2cnc(CC)s2)CC1 ZINC000895835925 619620058 /nfs/dbraw/zinc/62/00/58/619620058.db2.gz QPPFCHHSKRMJHC-UHFFFAOYSA-N 0 1 266.410 2.609 20 30 CFEDMN COC(=O)CC[C@@H]1CCCN(Cc2csc(C#N)c2)C1 ZINC000895938864 619640179 /nfs/dbraw/zinc/64/01/79/619640179.db2.gz GBMSVJOSWHBDKR-LBPRGKRZSA-N 0 1 292.404 2.785 20 30 CFEDMN C=CCOc1ccccc1CN1CCO[C@H](C)CC1 ZINC000896583634 619767071 /nfs/dbraw/zinc/76/70/71/619767071.db2.gz DRHJYKLNHBSBNI-CQSZACIVSA-N 0 1 261.365 2.862 20 30 CFEDMN CC(C)(Cc1ccc(C#N)cc1)NCc1ccon1 ZINC000896633089 619777028 /nfs/dbraw/zinc/77/70/28/619777028.db2.gz OZLDGHCDTJZSJH-UHFFFAOYSA-N 0 1 255.321 2.657 20 30 CFEDMN N#Cc1ccc(N[C@@H]2CCCN(Cc3ccoc3)C2)nc1 ZINC000896653576 619783647 /nfs/dbraw/zinc/78/36/47/619783647.db2.gz DWSYBDKLORBGGU-OAHLLOKOSA-N 0 1 282.347 2.623 20 30 CFEDMN C#Cc1cccc(NS(=O)(=O)c2cc(C)oc2C)c1 ZINC000182775925 625381044 /nfs/dbraw/zinc/38/10/44/625381044.db2.gz VNARMNQIHSFLOE-UHFFFAOYSA-N 0 1 275.329 2.679 20 30 CFEDMN C=C(Cl)CN(C)C1CCN(C(=O)c2ccco2)CC1 ZINC000985216460 619931029 /nfs/dbraw/zinc/93/10/29/619931029.db2.gz ZHPDGNMTPXTZDT-UHFFFAOYSA-N 0 1 282.771 2.569 20 30 CFEDMN C#CCN1CCC(NC(=O)[C@H](F)CC2CCCCC2)CC1 ZINC000928653139 619933153 /nfs/dbraw/zinc/93/31/53/619933153.db2.gz AKZNMORPZKKTTH-MRXNPFEDSA-N 0 1 294.414 2.509 20 30 CFEDMN C#CCN(C[C@H](C)c1ccc(S(C)(=O)=O)cc1)C(C)C ZINC000897170738 619943961 /nfs/dbraw/zinc/94/39/61/619943961.db2.gz GKHLSSLNIIAWCH-AWEZNQCLSA-N 0 1 293.432 2.537 20 30 CFEDMN Cc1csc(C[C@@H]2CCN(Cc3cccc(C#N)n3)C2)n1 ZINC000897301745 619973516 /nfs/dbraw/zinc/97/35/16/619973516.db2.gz SQSPAPKUJKBBJA-ZDUSSCGKSA-N 0 1 298.415 2.783 20 30 CFEDMN N#C[C@@H]1CCC[C@H]([NH2+]CCc2c(F)cc([O-])cc2F)C1 ZINC000897305588 619973989 /nfs/dbraw/zinc/97/39/89/619973989.db2.gz XYZKOLDHKFPECF-MNOVXSKESA-N 0 1 280.318 2.885 20 30 CFEDMN C=CCCC[C@H](C)NC(=O)[C@@H]1CCN1C(C)(C)C ZINC000897315598 619983220 /nfs/dbraw/zinc/98/32/20/619983220.db2.gz KMHDNMWGLCNUGI-STQMWFEESA-N 0 1 252.402 2.720 20 30 CFEDMN C=C(Cl)CN(C)C1CCN(C(=O)CC2(C)CC2)CC1 ZINC000985537525 619993897 /nfs/dbraw/zinc/99/38/97/619993897.db2.gz GFEDPOVZQAXLPD-UHFFFAOYSA-N 0 1 284.831 2.852 20 30 CFEDMN O[C@@H]1CCc2ccccc2[C@@H]1NCC#Cc1ccccc1 ZINC000897339740 620002053 /nfs/dbraw/zinc/00/20/53/620002053.db2.gz MFHJIJSPBLRHIK-MOPGFXCFSA-N 0 1 277.367 2.676 20 30 CFEDMN C=C(Cl)CN[C@@H]1CCN(C(=O)C2CCCCC2)[C@H]1C ZINC000985887671 620049060 /nfs/dbraw/zinc/04/90/60/620049060.db2.gz HQWGQKBCEPKPGC-GXTWGEPZSA-N 0 1 284.831 2.898 20 30 CFEDMN C=C(Cl)CN[C@H]1CCN(C(=O)CC(C)(C)C)[C@H]1C ZINC000985978898 620056082 /nfs/dbraw/zinc/05/60/82/620056082.db2.gz XOLOMVFBTCNSEF-RYUDHWBXSA-N 0 1 272.820 2.754 20 30 CFEDMN C=C(Cl)CN[C@@H]1CCN(C(=O)/C=C(/C)C2CC2)[C@H]1C ZINC000985995427 620056979 /nfs/dbraw/zinc/05/69/79/620056979.db2.gz PAGJZZKGRICLSX-QNCVSOFMSA-N 0 1 282.815 2.674 20 30 CFEDMN C=C(Cl)CN[C@@H]1CCN(C(=O)CCc2ccoc2)[C@@H]1C ZINC000986125778 620069285 /nfs/dbraw/zinc/06/92/85/620069285.db2.gz DLHMHOMVSHTGAB-TZMCWYRMSA-N 0 1 296.798 2.544 20 30 CFEDMN C/C=C(\C)C(=O)N1CC[C@H](NCc2ccccc2C#N)[C@@H]1C ZINC000986139233 620072427 /nfs/dbraw/zinc/07/24/27/620072427.db2.gz XCOUSYALALNEME-PVVMPVRASA-N 0 1 297.402 2.603 20 30 CFEDMN CC(C)(C)CCNN=Cc1cc(C(F)(F)F)n[nH]1 ZINC000799484258 620110612 /nfs/dbraw/zinc/11/06/12/620110612.db2.gz AAPFBFRRHLNQSA-UHFFFAOYSA-N 0 1 262.279 2.788 20 30 CFEDMN C=C(C)C(C)(C)C(=O)Nc1cc(C(=O)OC(C)C)[nH]n1 ZINC000888118834 620122558 /nfs/dbraw/zinc/12/25/58/620122558.db2.gz KATUJRURXKYJMP-UHFFFAOYSA-N 0 1 279.340 2.516 20 30 CFEDMN C=CC(C)(C)CC(=O)Nc1cc(C(=O)OC(C)C)[nH]n1 ZINC000888120369 620123204 /nfs/dbraw/zinc/12/32/04/620123204.db2.gz KQMHXYBRVIVHQQ-UHFFFAOYSA-N 0 1 279.340 2.516 20 30 CFEDMN C=C(Cl)CN[C@@H]1C[C@@H](C)N(C(=O)Cc2cccs2)C1 ZINC000987811083 620154751 /nfs/dbraw/zinc/15/47/51/620154751.db2.gz GJPOUIXKFWHKMF-VXGBXAGGSA-N 0 1 298.839 2.622 20 30 CFEDMN C=C(Cl)CN[C@@H]1C[C@H](C)N(C(=O)/C=C/c2ccco2)C1 ZINC000987846132 620156762 /nfs/dbraw/zinc/15/67/62/620156762.db2.gz VZERGZQIXPZREB-JQSFKPKSSA-N 0 1 294.782 2.624 20 30 CFEDMN C=C(Cl)CN[C@@H]1C[C@@H](C)N(C(=O)C2CCCCC2)C1 ZINC000987879693 620157558 /nfs/dbraw/zinc/15/75/58/620157558.db2.gz PTWUYVOFZOROPN-TZMCWYRMSA-N 0 1 284.831 2.898 20 30 CFEDMN C=C(Cl)CN[C@@H]1C[C@@H](C)N(C(=O)Cc2ccsc2)C1 ZINC000987914996 620158683 /nfs/dbraw/zinc/15/86/83/620158683.db2.gz HUVQYOVNKJMBNO-DGCLKSJQSA-N 0 1 298.839 2.622 20 30 CFEDMN C=C(Cl)CN[C@H]1C[C@@H](C)N(C(=O)c2oc(C)cc2C)C1 ZINC000988526607 620198022 /nfs/dbraw/zinc/19/80/22/620198022.db2.gz FFJJWEHUGJQXGP-YPMHNXCESA-N 0 1 296.798 2.842 20 30 CFEDMN C=C(Cl)CN[C@H]1C[C@H](C)N(C(=O)c2cc[nH]c2CC)C1 ZINC000988755401 620220620 /nfs/dbraw/zinc/22/06/20/620220620.db2.gz FFQOPJSZPNBRAM-RYUDHWBXSA-N 0 1 295.814 2.522 20 30 CFEDMN C=C(Cl)CN[C@@H]1C[C@@H](C)N(C(=O)C2(F)CCCC2)C1 ZINC000989062355 620230841 /nfs/dbraw/zinc/23/08/41/620230841.db2.gz JBRQMHLRBLTEIQ-VXGBXAGGSA-N 0 1 288.794 2.600 20 30 CFEDMN C=CCN1CCCN(C(=O)c2ccc3cnccc3c2)CC1 ZINC000989417611 620261856 /nfs/dbraw/zinc/26/18/56/620261856.db2.gz XKQRYXNRSHXFOD-UHFFFAOYSA-N 0 1 295.386 2.569 20 30 CFEDMN CCCSC[C@@H](C)NCc1nc(C#N)cs1 ZINC000897625424 620262969 /nfs/dbraw/zinc/26/29/69/620262969.db2.gz DICYEQQJIURHIS-SECBINFHSA-N 0 1 255.412 2.636 20 30 CFEDMN COc1ccc(C[C@H](C)NCc2nc(C#N)cs2)cc1 ZINC000897628812 620263534 /nfs/dbraw/zinc/26/35/34/620263534.db2.gz MOSZKVLWOZQQEH-NSHDSACASA-N 0 1 287.388 2.744 20 30 CFEDMN C[C@@H]1CCc2n[nH]c(C(=O)NCC(C)(C)CCC#N)c2C1 ZINC000897770820 620279057 /nfs/dbraw/zinc/27/90/57/620279057.db2.gz NREVNVCNDHTSKY-LLVKDONJSA-N 0 1 288.395 2.594 20 30 CFEDMN CCO[C@]12CCC[C@@]1(NCC#Cc1ccccc1)CCO2 ZINC000897973521 620306953 /nfs/dbraw/zinc/30/69/53/620306953.db2.gz UFBSIECYJBEUFY-MSOLQXFVSA-N 0 1 285.387 2.704 20 30 CFEDMN C[C@H](c1cccc(C#N)c1)N(C)C(=O)[C@H]1CCN1C(C)(C)C ZINC000898015360 620323229 /nfs/dbraw/zinc/32/32/29/620323229.db2.gz MRXRWBFIEAVAHL-CZUORRHYSA-N 0 1 299.418 2.950 20 30 CFEDMN C=C[C@@H](C)ONC(=O)[C@H](c1ccncc1)C1CCCC1 ZINC000898281005 620364297 /nfs/dbraw/zinc/36/42/97/620364297.db2.gz NOADNVIWAKKGIE-DOMZBBRYSA-N 0 1 274.364 2.978 20 30 CFEDMN N#Cc1cccc(CN[C@H](c2ccncc2)C2CC2)n1 ZINC000898321986 620365948 /nfs/dbraw/zinc/36/59/48/620365948.db2.gz XDXGMZUIUULZTD-INIZCTEOSA-N 0 1 264.332 2.589 20 30 CFEDMN C=C(C)CN1CCCN(C(=O)c2cc(F)cc(F)c2)CC1 ZINC000989615616 620383540 /nfs/dbraw/zinc/38/35/40/620383540.db2.gz IXOPCRYACLCEPG-UHFFFAOYSA-N 0 1 294.345 2.689 20 30 CFEDMN C=CCN1CCCN(C(=O)C(C)(C)c2ccccc2)CC1 ZINC000989628015 620383814 /nfs/dbraw/zinc/38/38/14/620383814.db2.gz PKDRIPJHWGRYHY-UHFFFAOYSA-N 0 1 286.419 2.685 20 30 CFEDMN C=C(Cl)CN[C@@H]1C[C@H](C)N(C(=O)c2ccc(C)cc2)C1 ZINC000989714725 620387566 /nfs/dbraw/zinc/38/75/66/620387566.db2.gz NMFLNMSJWXCQNK-DZGCQCFKSA-N 0 1 292.810 2.940 20 30 CFEDMN C=C(C)CN1CCCN(C(=O)[C@@H]2CC3CCC2CC3)CC1 ZINC000989747132 620389005 /nfs/dbraw/zinc/38/90/05/620389005.db2.gz IYMKRFSPLYFEPK-OFLPRAFFSA-N 0 1 290.451 2.923 20 30 CFEDMN C#CCC[N@@H+]1CCCN(C(=O)C2(C)C(C)(C)C2(C)C)CC1 ZINC000989807300 620393357 /nfs/dbraw/zinc/39/33/57/620393357.db2.gz XQXLTAJPPHKNDC-UHFFFAOYSA-N 0 1 290.451 2.616 20 30 CFEDMN C#CCCN1CCCN(C(=O)C2(C)C(C)(C)C2(C)C)CC1 ZINC000989807300 620393361 /nfs/dbraw/zinc/39/33/61/620393361.db2.gz XQXLTAJPPHKNDC-UHFFFAOYSA-N 0 1 290.451 2.616 20 30 CFEDMN C=CC[C@H]1CCCC[C@@H]1NC(=O)c1cncc2nc[nH]c21 ZINC000898579714 620480968 /nfs/dbraw/zinc/48/09/68/620480968.db2.gz UVBMKCGDTZREQQ-AAEUAGOBSA-N 0 1 284.363 2.823 20 30 CFEDMN CCCCCCCC(=O)N1CC(N2CCCC2)C1 ZINC000898614046 620484077 /nfs/dbraw/zinc/48/40/77/620484077.db2.gz JVHKSHXHWIGLDO-UHFFFAOYSA-N 0 1 252.402 2.654 20 30 CFEDMN CC[C@@H](C)N1CCN(C(=O)c2c(C)cc(C#N)cc2C)CC1 ZINC000899155683 620526538 /nfs/dbraw/zinc/52/65/38/620526538.db2.gz GWVJLGILDFWGHH-OAHLLOKOSA-N 0 1 299.418 2.731 20 30 CFEDMN C#CC[C@H]1C(=O)N(c2ccccc2OC(F)(F)F)N=C1C ZINC000899352410 620547543 /nfs/dbraw/zinc/54/75/43/620547543.db2.gz IHPOYUYMAFOKTK-SNVBAGLBSA-N 0 1 296.248 2.947 20 30 CFEDMN C#CCc1c(C)[nH]n(-c2ccccc2OC(F)(F)F)c1=O ZINC000899352410 620547545 /nfs/dbraw/zinc/54/75/45/620547545.db2.gz IHPOYUYMAFOKTK-SNVBAGLBSA-N 0 1 296.248 2.947 20 30 CFEDMN C#CCCc1cc(=O)n(Cc2cccc(Cl)c2)[nH]1 ZINC000899351013 620550172 /nfs/dbraw/zinc/55/01/72/620550172.db2.gz XCIQUDMEXBMPLV-UHFFFAOYSA-N 0 1 260.724 2.842 20 30 CFEDMN Cc1ccc(C(=O)/C=C/c2c3c(nn2C)CCC3)c(O)c1 ZINC000899363493 620551168 /nfs/dbraw/zinc/55/11/68/620551168.db2.gz NVKPDQSOJWZVNT-CMDGGOBGSA-N 0 1 282.343 2.819 20 30 CFEDMN C=CCN1C(=O)N=NC1SC[C@H]1CCCC2(CCC2)O1 ZINC000901507956 620839932 /nfs/dbraw/zinc/83/99/32/620839932.db2.gz JNQILIRGLJAXDT-LLVKDONJSA-N 0 1 295.408 2.754 20 30 CFEDMN C=CC[N@H+](CC(=O)[O-])Cc1ccc2nc(C)sc2c1 ZINC000901587521 620863142 /nfs/dbraw/zinc/86/31/42/620863142.db2.gz ZBQPSXZTAJQJGD-UHFFFAOYSA-N 0 1 276.361 2.677 20 30 CFEDMN C=CC[N@@H+](CC(=O)[O-])Cc1ccc2nc(C)sc2c1 ZINC000901587521 620863144 /nfs/dbraw/zinc/86/31/44/620863144.db2.gz ZBQPSXZTAJQJGD-UHFFFAOYSA-N 0 1 276.361 2.677 20 30 CFEDMN C=CCC[C@H]([NH2+]Cc1ncc(C(C)(C)C)s1)C(=O)[O-] ZINC000901692356 620896342 /nfs/dbraw/zinc/89/63/42/620896342.db2.gz LMOREJZCWPQZMB-JTQLQIEISA-N 0 1 282.409 2.950 20 30 CFEDMN C=CCOc1ccc(C[N@@H+]2CCC[C@@](C)(C(=O)[O-])C2)cc1 ZINC000901698634 620898030 /nfs/dbraw/zinc/89/80/30/620898030.db2.gz JIRAEXDIYAIZHN-QGZVFWFLSA-N 0 1 289.375 2.938 20 30 CFEDMN C#CC[C@H]1CCC[N@H+](Cc2cc(C(=O)[O-])c(CC)o2)C1 ZINC000902442956 621081663 /nfs/dbraw/zinc/08/16/63/621081663.db2.gz KPFRBXPZBBPFNK-LBPRGKRZSA-N 0 1 275.348 2.776 20 30 CFEDMN C=CC[N@H+](Cc1ccc(O[C@H](C)C(=O)[O-])cc1)C1CC1 ZINC000902529408 621118599 /nfs/dbraw/zinc/11/85/99/621118599.db2.gz XBDUBAHQCXEJLL-GFCCVEGCSA-N 0 1 275.348 2.689 20 30 CFEDMN Cc1cc(C)nc(CON=C(N)c2ccc(N(C)C)cc2)c1 ZINC000902698974 621149517 /nfs/dbraw/zinc/14/95/17/621149517.db2.gz AQVCBBIMYCJXKR-UHFFFAOYSA-N 0 1 298.390 2.602 20 30 CFEDMN COc1ccc(CN[C@@H](C)c2cc(C#N)ccn2)cc1 ZINC000902721099 621156901 /nfs/dbraw/zinc/15/69/01/621156901.db2.gz RYOOAXXGWDIVNL-LBPRGKRZSA-N 0 1 267.332 2.813 20 30 CFEDMN COCc1ccc(CN[C@@H](C)c2cc(C#N)ccn2)cc1 ZINC000902732494 621160511 /nfs/dbraw/zinc/16/05/11/621160511.db2.gz FGCSXQFDHSCDEF-ZDUSSCGKSA-N 0 1 281.359 2.950 20 30 CFEDMN C[C@H](NC[C@H]1OCCc2ccccc21)c1cc(C#N)ccn1 ZINC000902865650 621191506 /nfs/dbraw/zinc/19/15/06/621191506.db2.gz OBTPPKNUFDLYAD-SCLBCKFNSA-N 0 1 293.370 2.918 20 30 CFEDMN CC[C@H](NCc1snnc1C)c1cccc(C#N)c1 ZINC000902998861 621224421 /nfs/dbraw/zinc/22/44/21/621224421.db2.gz IOYOXUHTCFTFIW-ZDUSSCGKSA-N 0 1 272.377 2.959 20 30 CFEDMN CCO[C@@H]1C[C@@H](N[C@@H](C)c2cc(C#N)ccn2)[C@@H]1SC ZINC000903037783 621231221 /nfs/dbraw/zinc/23/12/21/621231221.db2.gz QIGSYVHULXAXIV-QOWREQOWSA-N 0 1 291.420 2.513 20 30 CFEDMN CC[C@H](NCC1(C#N)CC1)c1ccc2c(c1)CCO2 ZINC000903101573 621253492 /nfs/dbraw/zinc/25/34/92/621253492.db2.gz JDKUIRZPMDBMNT-AWEZNQCLSA-N 0 1 256.349 2.966 20 30 CFEDMN CC[C@H](NCc1cn(C)nc1OC)c1ccc(C#N)cc1 ZINC000903339238 621334599 /nfs/dbraw/zinc/33/45/99/621334599.db2.gz XFLZMYKQKLXQSP-HNNXBMFYSA-N 0 1 284.363 2.541 20 30 CFEDMN Cn1cnc(CN[C@@H]2CCCCc3cc(C#N)ccc32)c1 ZINC000903350577 621343123 /nfs/dbraw/zinc/34/31/23/621343123.db2.gz CQPHMRSVRJEGQP-QGZVFWFLSA-N 0 1 280.375 2.849 20 30 CFEDMN N#Cc1cc(Cl)cc(C[N@@H+]2CCC[C@H](CC(=O)[O-])C2)c1 ZINC000903401311 621368669 /nfs/dbraw/zinc/36/86/69/621368669.db2.gz IWBYGXFXWCSLDJ-LLVKDONJSA-N 0 1 292.766 2.898 20 30 CFEDMN Cc1cc(C#N)cc(C)c1C[N@H+]1CCCC[C@H]1C(=O)[O-] ZINC000903402755 621369292 /nfs/dbraw/zinc/36/92/92/621369292.db2.gz WTIGPKNZDGFVRP-HNNXBMFYSA-N 0 1 272.348 2.614 20 30 CFEDMN C[C@@H]1C[C@@H](C(=O)[O-])C[N@@H+](CCCCC2(C#N)CCC2)C1 ZINC000903701752 621421834 /nfs/dbraw/zinc/42/18/34/621421834.db2.gz LPWWEIIQTGXVMA-ZIAGYGMSSA-N 0 1 278.396 2.893 20 30 CFEDMN C[C@@H]1C[N@@H+](CCCCC2(C#N)CCC2)CC[C@@H]1C(=O)[O-] ZINC000903707253 621423659 /nfs/dbraw/zinc/42/36/59/621423659.db2.gz UMHUAGPHYVLEOE-KGLIPLIRSA-N 0 1 278.396 2.893 20 30 CFEDMN C=C(C)CC[N@H+]1CCOc2cc(C(=O)[O-])ccc2C1 ZINC000903958849 621479924 /nfs/dbraw/zinc/47/99/24/621479924.db2.gz PHPCJZKQNNWNJY-UHFFFAOYSA-N 0 1 261.321 2.545 20 30 CFEDMN CC(C)[C@@H](C(=O)N(O)Cc1ccccc1Cl)N(C)C ZINC000904188805 621545492 /nfs/dbraw/zinc/54/54/92/621545492.db2.gz OPKBJGTYCJIOIQ-ZDUSSCGKSA-N 0 1 284.787 2.644 20 30 CFEDMN O=C([C@H]1CCCN1C1CC1)N(O)Cc1ccccc1Cl ZINC000904190628 621546345 /nfs/dbraw/zinc/54/63/45/621546345.db2.gz OFDOHWAADOPLJV-CQSZACIVSA-N 0 1 294.782 2.685 20 30 CFEDMN Cc1cc(N=NCc2nc(C(C)(C)C)co2)ncn1 ZINC000905449398 621767373 /nfs/dbraw/zinc/76/73/73/621767373.db2.gz VMHYZNSTNWGFIW-UHFFFAOYSA-N 0 1 259.313 2.517 20 30 CFEDMN N#CC1(C[C@H](O)CN[C@@H]2c3ccccc3CC[C@@H]2F)CC1 ZINC000905454848 621776229 /nfs/dbraw/zinc/77/62/29/621776229.db2.gz ZZFFDDQHCPPCCS-CWRNSKLLSA-N 0 1 288.366 2.656 20 30 CFEDMN COc1ccc(NN=Cc2nc(C(C)(C)C)co2)nc1 ZINC000905461948 621778752 /nfs/dbraw/zinc/77/87/52/621778752.db2.gz GEYLBTQKNXUZRC-UHFFFAOYSA-N 0 1 274.324 2.822 20 30 CFEDMN N#C[C@H](OC(=O)c1ccc([N+](=O)[O-])[nH]1)C1CCCCC1 ZINC000802224371 621824050 /nfs/dbraw/zinc/82/40/50/621824050.db2.gz VVSHTRNCVBZANF-NSHDSACASA-N 0 1 277.280 2.552 20 30 CFEDMN C#CC[N@H+](Cc1c([O-])ccc2ccncc21)C(C)C ZINC000905741526 621842744 /nfs/dbraw/zinc/84/27/44/621842744.db2.gz DDRORUITXIINTI-UHFFFAOYSA-N 0 1 254.333 2.784 20 30 CFEDMN C#CC[N@@H+](Cc1c([O-])ccc2ccncc21)C(C)C ZINC000905741526 621842745 /nfs/dbraw/zinc/84/27/45/621842745.db2.gz DDRORUITXIINTI-UHFFFAOYSA-N 0 1 254.333 2.784 20 30 CFEDMN CN(Cc1cn([C@H](C#N)c2ccccc2)nn1)C(C)(C)C ZINC000905802735 621867843 /nfs/dbraw/zinc/86/78/43/621867843.db2.gz CAJLKJVYCPCETG-OAHLLOKOSA-N 0 1 283.379 2.621 20 30 CFEDMN CN(Cc1cn([C@@H](C#N)c2ccccc2)nn1)C(C)(C)C ZINC000905802734 621868267 /nfs/dbraw/zinc/86/82/67/621868267.db2.gz CAJLKJVYCPCETG-HNNXBMFYSA-N 0 1 283.379 2.621 20 30 CFEDMN C=CCN1CC[C@@H](NC(=O)[C@@H](C)c2ccc(CC)cc2)C1 ZINC001015859564 625528391 /nfs/dbraw/zinc/52/83/91/625528391.db2.gz FTIFCOGQWIWLHS-WMLDXEAASA-N 0 1 286.419 2.729 20 30 CFEDMN C[C@@H]1CN([C@@H]2C[C@@H]2c2cccc(F)c2)C[C@@H](C)N1CC#N ZINC000906590316 622008158 /nfs/dbraw/zinc/00/81/58/622008158.db2.gz OZJRAPLYEJVGFD-BQGCOEIASA-N 0 1 287.382 2.600 20 30 CFEDMN N#C[C@]1(C(=O)Nc2cccc3[nH]nnc32)CC2CCC1CC2 ZINC000908704572 622266753 /nfs/dbraw/zinc/26/67/53/622266753.db2.gz SKRPEGQMYYBIOZ-CLIRUNRCSA-N 0 1 295.346 2.616 20 30 CFEDMN C#CCCC[N@H+](CCCC(=O)[O-])Cc1ccccc1 ZINC000833362350 625563637 /nfs/dbraw/zinc/56/36/37/625563637.db2.gz NGLWKXSQUAUDLF-UHFFFAOYSA-N 0 1 259.349 2.767 20 30 CFEDMN CC(C)n1cncc1C=NNc1cc(Cl)ccn1 ZINC000819811753 622561588 /nfs/dbraw/zinc/56/15/88/622561588.db2.gz AULBIVCWPVTKJF-UHFFFAOYSA-N 0 1 263.732 2.958 20 30 CFEDMN Cc1cc(Br)cnc1N=NC1CN(C)C[C@@H]1C ZINC000819827395 622565238 /nfs/dbraw/zinc/56/52/38/622565238.db2.gz ISRRDOITVMUMFL-VIFPVBQESA-N 0 1 297.200 2.502 20 30 CFEDMN C[C@@H]1CCCC[C@H]1C(=O)C(C#N)C(=O)NCc1ccccc1 ZINC000819944708 622579787 /nfs/dbraw/zinc/57/97/87/622579787.db2.gz OUELAZJJYPETEX-BMFZPTHFSA-N 0 1 298.386 2.838 20 30 CFEDMN Cc1cccc2nc([C@H](C#N)C(=O)C=C[C@H]3CCCO3)[nH]c21 ZINC000820086332 622609809 /nfs/dbraw/zinc/60/98/09/622609809.db2.gz ZFJQEILKZMJAPB-WUOSCTTQSA-N 0 1 295.342 2.783 20 30 CFEDMN C=CCC1(NC(=O)c2cncc3nc[nH]c32)CCCC1 ZINC000912524495 622739527 /nfs/dbraw/zinc/73/95/27/622739527.db2.gz YKQTYLVSEYVVIZ-UHFFFAOYSA-N 0 1 270.336 2.577 20 30 CFEDMN CC[C@H](CC#N)OC(=O)c1cc2[nH]cnc2cc1F ZINC000820764904 622752876 /nfs/dbraw/zinc/75/28/76/622752876.db2.gz BDHYINBPXOIWKV-MRVPVSSYSA-N 0 1 261.256 2.551 20 30 CFEDMN N#CCC1(OC(=O)c2cc3[nH]cnc3cc2F)CCC1 ZINC000821006699 622818767 /nfs/dbraw/zinc/81/87/67/622818767.db2.gz WEFSKOCVUNQSRS-UHFFFAOYSA-N 0 1 273.267 2.695 20 30 CFEDMN CCCC[C@H](ON=C(C)C)C(=O)O[C@H](C)c1n[nH]c(C)n1 ZINC000840454096 622883101 /nfs/dbraw/zinc/88/31/01/622883101.db2.gz DFPCXULWIFERNA-PWSUYJOCSA-N 0 1 296.371 2.689 20 30 CFEDMN Cc1cccc2cc(C(=O)NCC#CCN(C)C)sc21 ZINC000913522456 622911516 /nfs/dbraw/zinc/91/15/16/622911516.db2.gz JXTNMXWINBODPI-UHFFFAOYSA-N 0 1 286.400 2.505 20 30 CFEDMN C=C(C)CCNC(=O)c1ccc(CN2CCCCC2)o1 ZINC000821411609 622917834 /nfs/dbraw/zinc/91/78/34/622917834.db2.gz CAYJTHYBYLEZRP-UHFFFAOYSA-N 0 1 276.380 2.962 20 30 CFEDMN C=CCc1cc(CN2CCOC(C)(C)C2)c(O)c(OC)c1 ZINC000164010096 622932704 /nfs/dbraw/zinc/93/27/04/622932704.db2.gz DQKUMMRFLLQRDO-UHFFFAOYSA-N 0 1 291.391 2.740 20 30 CFEDMN C=C[C@H](CC)CC(=O)N1CCN([C@@H](C)CC)CC1 ZINC000821848484 622993147 /nfs/dbraw/zinc/99/31/47/622993147.db2.gz STKQSHUCOVHDOG-UONOGXRCSA-N 0 1 252.402 2.531 20 30 CFEDMN C=C[C@H](CC)CC(=O)NC[C@H](c1nc[nH]n1)c1ccccc1 ZINC000821887491 623002671 /nfs/dbraw/zinc/00/26/71/623002671.db2.gz WDKJGVBMEBGLCI-HIFRSBDPSA-N 0 1 298.390 2.655 20 30 CFEDMN CCCCCCCN(C)[C@H](C)[C@@H](C)S(C)(=O)=O ZINC000158152502 623099285 /nfs/dbraw/zinc/09/92/85/623099285.db2.gz JZANZZOQTXGGSE-CHWSQXEVSA-N 0 1 263.447 2.710 20 30 CFEDMN COc1cc(Cl)cc(CNCC(C)(C)C#N)c1O ZINC000169096821 623112362 /nfs/dbraw/zinc/11/23/62/623112362.db2.gz ROEGYZXMAAVAIS-UHFFFAOYSA-N 0 1 268.744 2.694 20 30 CFEDMN C#CCO[C@H](C)C(=O)Nc1ccc2nc(CCCC)[nH]c2c1 ZINC000822823302 623182679 /nfs/dbraw/zinc/18/26/79/623182679.db2.gz FJLRJNLLXWHGIR-GFCCVEGCSA-N 0 1 299.374 2.882 20 30 CFEDMN COc1ccccc1NC(=O)C(C#N)C(=O)[C@H](C)C(C)C ZINC000172021136 623254284 /nfs/dbraw/zinc/25/42/84/623254284.db2.gz XHROYOTZJPNHCF-VXGBXAGGSA-N 0 1 288.347 2.635 20 30 CFEDMN C=C(Cl)CN[C@H]1CN(C(=O)C2CCCC2)CC1(C)C ZINC000995326801 625635998 /nfs/dbraw/zinc/63/59/98/625635998.db2.gz LVGSGGFBLKSLDO-ZDUSSCGKSA-N 0 1 284.831 2.756 20 30 CFEDMN COc1ccc(CNCc2ccc3c(c2)OCO3)cc1C#N ZINC000172688299 623299073 /nfs/dbraw/zinc/29/90/73/623299073.db2.gz RSAWOPCWVPDULH-UHFFFAOYSA-N 0 1 296.326 2.585 20 30 CFEDMN N#Cc1ccc(N[C@H]2CCN(C3CC3)C2)c(Cl)c1 ZINC000062791133 623299425 /nfs/dbraw/zinc/29/94/25/623299425.db2.gz AWRQUANQWPLOLU-NSHDSACASA-N 0 1 261.756 2.860 20 30 CFEDMN CC[C@@]1(C(=O)[O-])CCC[N@@H+](Cc2ccccc2C#N)C1 ZINC000062877414 623302855 /nfs/dbraw/zinc/30/28/55/623302855.db2.gz JLMFCOYVIABHGV-MRXNPFEDSA-N 0 1 272.348 2.635 20 30 CFEDMN CC[C@]1(C(=O)[O-])CCC[N@@H+](Cc2ccccc2C#N)C1 ZINC000062877413 623303024 /nfs/dbraw/zinc/30/30/24/623303024.db2.gz JLMFCOYVIABHGV-INIZCTEOSA-N 0 1 272.348 2.635 20 30 CFEDMN CC(C)(C)OC(=O)N1CCC[C@@H]1CNCC(C)(C)C#N ZINC000232499527 623421953 /nfs/dbraw/zinc/42/19/53/623421953.db2.gz KPIFDZFROKKXCW-GFCCVEGCSA-N 0 1 281.400 2.525 20 30 CFEDMN C=C(C)CONC(=O)c1ccc(CN2CCCCC2)o1 ZINC000824028328 623435773 /nfs/dbraw/zinc/43/57/73/623435773.db2.gz FJXUKHXTXGMGSC-UHFFFAOYSA-N 0 1 278.352 2.503 20 30 CFEDMN C=C1CCC(C(=O)N[C@]23CCC[C@@H]2N(CCF)CC3)CC1 ZINC000992152818 623470355 /nfs/dbraw/zinc/47/03/55/623470355.db2.gz NIWIXGQCAZFQFN-RDJZCZTQSA-N 0 1 294.414 2.816 20 30 CFEDMN C=C[C@H](C)ONC(=O)C1=C(c2ccccc2)SCCO1 ZINC000824232140 623473272 /nfs/dbraw/zinc/47/32/72/623473272.db2.gz FMVOUHKVZLSJDQ-NSHDSACASA-N 0 1 291.372 2.741 20 30 CFEDMN C#C[C@H](C)N(C)Cc1c[nH]c(C(=O)OCc2ccccc2)c1 ZINC000824296141 623485282 /nfs/dbraw/zinc/48/52/82/623485282.db2.gz AXOMAZHSEQIBOX-AWEZNQCLSA-N 0 1 296.370 2.825 20 30 CFEDMN CCCCN(Cn1ccc(C)c(C#N)c1=O)[C@@H](C)CC ZINC000758206993 623501832 /nfs/dbraw/zinc/50/18/32/623501832.db2.gz PVLDLZFDNMVJID-AWEZNQCLSA-N 0 1 275.396 2.887 20 30 CFEDMN COC(=O)C1(NCC2CCC(C#N)CC2)CCCCC1 ZINC000929668881 623505522 /nfs/dbraw/zinc/50/55/22/623505522.db2.gz GTPVJHOTZIODEB-UHFFFAOYSA-N 0 1 278.396 2.782 20 30 CFEDMN CC(C)n1cncc1CNCc1ccc(C#N)cc1 ZINC000090208522 623519477 /nfs/dbraw/zinc/51/94/77/623519477.db2.gz CZEVZMKEVOISTO-UHFFFAOYSA-N 0 1 254.337 2.625 20 30 CFEDMN CCCCCCCCC(=O)NC12CCN(CC1)C2 ZINC000913626790 623535800 /nfs/dbraw/zinc/53/58/00/623535800.db2.gz HXPDSHGBWKSGGK-UHFFFAOYSA-N 0 1 252.402 2.701 20 30 CFEDMN C=CCN1CC[C@@H](NC(=O)c2occc2-c2ccccc2)C1 ZINC001015183387 623546277 /nfs/dbraw/zinc/54/62/77/623546277.db2.gz WFMFRUIGZWTKMU-OAHLLOKOSA-N 0 1 296.370 2.937 20 30 CFEDMN N#Cc1ccc(O)c(NC(=O)c2nc(Cl)ccc2F)c1 ZINC000759716829 623575261 /nfs/dbraw/zinc/57/52/61/623575261.db2.gz DNJZTPHBFRFEJD-UHFFFAOYSA-N 0 1 291.669 2.704 20 30 CFEDMN C=CCN1CC[C@]2(NC(=O)c3ccc(F)s3)CCC[C@H]12 ZINC000992525132 623638343 /nfs/dbraw/zinc/63/83/43/623638343.db2.gz VZSBUQYVFGOICN-SWLSCSKDSA-N 0 1 294.395 2.800 20 30 CFEDMN C#CCSCC[NH2+]Cc1cc(Cl)c(C)cc1[O-] ZINC000825291485 623664318 /nfs/dbraw/zinc/66/43/18/623664318.db2.gz LVSCPHARRQDMMK-UHFFFAOYSA-N 0 1 269.797 2.810 20 30 CFEDMN C[C@H]1CC(N=Nc2nc3ccccc3[n-]2)C[N@@H+]1C1CC1 ZINC000753954328 623797273 /nfs/dbraw/zinc/79/72/73/623797273.db2.gz ABCREJAGGROLAV-JTQLQIEISA-N 0 1 269.352 2.587 20 30 CFEDMN C[C@H]1CC(N=Nc2nc3ccccc3[n-]2)C[N@H+]1C1CC1 ZINC000753954328 623797279 /nfs/dbraw/zinc/79/72/79/623797279.db2.gz ABCREJAGGROLAV-JTQLQIEISA-N 0 1 269.352 2.587 20 30 CFEDMN C=C(Cl)CN[C@H]1CN(C(=O)c2cccs2)CC1(C)C ZINC000995384204 625676711 /nfs/dbraw/zinc/67/67/11/625676711.db2.gz NJLLPYOOEGTHMP-LBPRGKRZSA-N 0 1 298.839 2.941 20 30 CFEDMN C#C[C@@H]1CCC[N@H+](Cc2c(C3CCC3)cnn2C)C1 ZINC000826535240 623807283 /nfs/dbraw/zinc/80/72/83/623807283.db2.gz ULKAKEFKEOBRBX-CYBMUJFWSA-N 0 1 257.381 2.533 20 30 CFEDMN C#C[C@@H]1CCCN(Cc2c(C3CCC3)cnn2C)C1 ZINC000826535240 623807293 /nfs/dbraw/zinc/80/72/93/623807293.db2.gz ULKAKEFKEOBRBX-CYBMUJFWSA-N 0 1 257.381 2.533 20 30 CFEDMN C#C[C@@H]1CCC[N@H+](Cc2ccc(Br)cc2O)C1 ZINC000826533968 623807490 /nfs/dbraw/zinc/80/74/90/623807490.db2.gz BPPVNOQZPATKDE-LLVKDONJSA-N 0 1 294.192 3.000 20 30 CFEDMN C#C[C@@H]1CCC[N@@H+](Cc2ccc(Br)cc2[O-])C1 ZINC000826533968 623807497 /nfs/dbraw/zinc/80/74/97/623807497.db2.gz BPPVNOQZPATKDE-LLVKDONJSA-N 0 1 294.192 3.000 20 30 CFEDMN C#C[C@@H]1CCC[N@H+](Cc2ccc(Br)cc2[O-])C1 ZINC000826533968 623807505 /nfs/dbraw/zinc/80/75/05/623807505.db2.gz BPPVNOQZPATKDE-LLVKDONJSA-N 0 1 294.192 3.000 20 30 CFEDMN CC[C@H](C#N)OC(=O)c1ccc(-c2nnc(C3CC3)[nH]2)cc1 ZINC000153025516 623822657 /nfs/dbraw/zinc/82/26/57/623822657.db2.gz KLAXVHMHGPPXRV-CYBMUJFWSA-N 0 1 296.330 2.808 20 30 CFEDMN C#CCC[N@@H+]1CCC[C@H](NC(=O)C2CCCCC2)[C@@H]1C ZINC000992987363 623834470 /nfs/dbraw/zinc/83/44/70/623834470.db2.gz NTTYDAGEBAIECT-HOCLYGCPSA-N 0 1 276.424 2.559 20 30 CFEDMN C=CC[N@@H+]1CCC[C@H](NC(=O)c2cccc(F)c2)[C@H]1C ZINC000992986975 623834842 /nfs/dbraw/zinc/83/48/42/623834842.db2.gz JDWKJZRFUAIGRU-DOMZBBRYSA-N 0 1 276.355 2.594 20 30 CFEDMN C=CCN1CCC[C@H](NC(=O)c2cccc(F)c2)[C@H]1C ZINC000992986975 623834847 /nfs/dbraw/zinc/83/48/47/623834847.db2.gz JDWKJZRFUAIGRU-DOMZBBRYSA-N 0 1 276.355 2.594 20 30 CFEDMN Cn1cc(N=NC2CSCCc3ccccc32)cn1 ZINC000761866840 623841380 /nfs/dbraw/zinc/84/13/80/623841380.db2.gz KNGGUZAGEUASFP-UHFFFAOYSA-N 0 1 272.377 2.526 20 30 CFEDMN CC(C)C(=O)N[C@@H]1CCCN(Cc2ccc(C#N)cc2)[C@H]1C ZINC000993063464 623880724 /nfs/dbraw/zinc/88/07/24/623880724.db2.gz DQMRCTIXCYDNPD-WMLDXEAASA-N 0 1 299.418 2.683 20 30 CFEDMN CC[C@H](C)NN=C1CC(C)(C)Oc2ccc(N)cc21 ZINC000814913279 623916316 /nfs/dbraw/zinc/91/63/16/623916316.db2.gz KKWBZDFWHVWGSI-JTQLQIEISA-N 0 1 261.369 2.922 20 30 CFEDMN CC(C)ON=C1CCN(CCC(F)(F)F)CC1 ZINC000835003146 623927106 /nfs/dbraw/zinc/92/71/06/623927106.db2.gz RHJVKGOIEALYSM-UHFFFAOYSA-N 0 1 252.280 2.816 20 30 CFEDMN C=CCN1CCC[C@@H](NC(=O)c2oc(C)cc2C)[C@@H]1C ZINC000993145786 623951963 /nfs/dbraw/zinc/95/19/63/623951963.db2.gz JZSKBDSKKXQCLP-UONOGXRCSA-N 0 1 276.380 2.665 20 30 CFEDMN CCC(=NOC[C@@H]1CCOC1)c1ccc(N(C)C)cc1 ZINC000788033021 623958886 /nfs/dbraw/zinc/95/88/86/623958886.db2.gz ZOSGUPWKBXOIID-CYBMUJFWSA-N 0 1 276.380 2.920 20 30 CFEDMN CCC[C@H](C(=O)[C@@H](C#N)C(=O)NC1CCCC1)C(C)C ZINC000153450158 623977070 /nfs/dbraw/zinc/97/70/70/623977070.db2.gz FSIJPRRDHKTJRB-UONOGXRCSA-N 0 1 278.396 2.826 20 30 CFEDMN C=C(C)C[N@H+](CC)[C@@H]1CCN(c2ccc(C)cc2)C1=O ZINC000764157776 623977878 /nfs/dbraw/zinc/97/78/78/623977878.db2.gz YJCPURMBZCZRSV-MRXNPFEDSA-N 0 1 272.392 2.998 20 30 CFEDMN C=C(C)CN(CC)[C@@H]1CCN(c2ccc(C)cc2)C1=O ZINC000764157776 623977879 /nfs/dbraw/zinc/97/78/79/623977879.db2.gz YJCPURMBZCZRSV-MRXNPFEDSA-N 0 1 272.392 2.998 20 30 CFEDMN N#Cc1ccc(O)c(NC(=O)c2cc(F)c(F)cc2F)c1 ZINC000153508657 623994678 /nfs/dbraw/zinc/99/46/78/623994678.db2.gz BXYKKQHSDNCWJL-UHFFFAOYSA-N 0 1 292.216 2.933 20 30 CFEDMN C#C[C@@H](NCc1ccc(Br)o1)C1CCOCC1 ZINC000827560329 624032356 /nfs/dbraw/zinc/03/23/56/624032356.db2.gz OYDOLKABARNHCR-GFCCVEGCSA-N 0 1 298.180 2.560 20 30 CFEDMN C#C[C@H](NCc1ccc(F)cc1Cl)C1CCOCC1 ZINC000827564545 624033650 /nfs/dbraw/zinc/03/36/50/624033650.db2.gz CWOUNZIYVYKWPJ-HNNXBMFYSA-N 0 1 281.758 2.997 20 30 CFEDMN C#C[C@H](NCc1cccc(Cl)c1F)C1CCOCC1 ZINC000827565492 624033902 /nfs/dbraw/zinc/03/39/02/624033902.db2.gz MNNAAAVATOYGCZ-AWEZNQCLSA-N 0 1 281.758 2.997 20 30 CFEDMN C#C[C@H](NCc1ncccc1C(F)(F)F)C1CCOCC1 ZINC000827564796 624033921 /nfs/dbraw/zinc/03/39/21/624033921.db2.gz GHEOBYHHFBUKOD-ZDUSSCGKSA-N 0 1 298.308 2.618 20 30 CFEDMN C=CCN1CCC[C@H](NC(=O)c2cc(C)c(C)o2)[C@@H]1C ZINC000993227556 624054787 /nfs/dbraw/zinc/05/47/87/624054787.db2.gz UEUQTMVMTWJQEB-JSGCOSHPSA-N 0 1 276.380 2.665 20 30 CFEDMN Cc1csc([C@H](C#N)C(=O)c2ccccc2OCC#N)n1 ZINC000193595130 624057790 /nfs/dbraw/zinc/05/77/90/624057790.db2.gz JXBCSZVELRMGIB-GFCCVEGCSA-N 0 1 297.339 2.844 20 30 CFEDMN Cc1csc(C(C#N)C(=O)c2ccccc2OCC#N)n1 ZINC000193595130 624057795 /nfs/dbraw/zinc/05/77/95/624057795.db2.gz JXBCSZVELRMGIB-GFCCVEGCSA-N 0 1 297.339 2.844 20 30 CFEDMN C=CCN1CCC[C@H](NC(=O)c2cc(C)cs2)[C@H]1C ZINC000993314931 624084312 /nfs/dbraw/zinc/08/43/12/624084312.db2.gz PWPJXFBBDVXIFS-OLZOCXBDSA-N 0 1 278.421 2.825 20 30 CFEDMN C=CCN1CCC[C@@H](NC(=O)c2[nH]ccc2C2CC2)[C@@H]1C ZINC000993410683 624137015 /nfs/dbraw/zinc/13/70/15/624137015.db2.gz PBHXTXZKXSJIOT-SWLSCSKDSA-N 0 1 287.407 2.661 20 30 CFEDMN C=CCN1CCC[C@H](NC(=O)c2ccc(CC)o2)[C@H]1C ZINC000993480994 624148006 /nfs/dbraw/zinc/14/80/06/624148006.db2.gz DOVBDEIFSAXXOR-OCCSQVGLSA-N 0 1 276.380 2.611 20 30 CFEDMN C=CCN1CCC[C@H](NC(=O)c2c(C)oc(C)c2C)[C@H]1C ZINC000993581413 624150967 /nfs/dbraw/zinc/15/09/67/624150967.db2.gz CCRQOYBBODDFIU-DOMZBBRYSA-N 0 1 290.407 2.974 20 30 CFEDMN C=CCN1CCC[C@@H](NC(=O)c2cc[nH]c2C(C)C)[C@H]1C ZINC000993707943 624159579 /nfs/dbraw/zinc/15/95/79/624159579.db2.gz UPDIFINHPXNPNO-UKRRQHHQSA-N 0 1 289.423 2.907 20 30 CFEDMN C=CCN1CCC[C@@H](NC(=O)C(C)(C)C2CC2)[C@@H]1C ZINC000993691605 624160875 /nfs/dbraw/zinc/16/08/75/624160875.db2.gz HMYPHHPHSRNILD-GXTWGEPZSA-N 0 1 264.413 2.578 20 30 CFEDMN C=CCN1CCC[C@@H](NC(=O)c2cc[nH]c2CCC)[C@H]1C ZINC000993701671 624162252 /nfs/dbraw/zinc/16/22/52/624162252.db2.gz JAJFVYKNWIBNQF-UKRRQHHQSA-N 0 1 289.423 2.736 20 30 CFEDMN C#CCN1CCC[C@H](NC(=O)c2ccc(C=C)cc2)[C@H]1C ZINC000993858248 624170976 /nfs/dbraw/zinc/17/09/76/624170976.db2.gz HQJIPHNKLBLQKP-PBHICJAKSA-N 0 1 282.387 2.546 20 30 CFEDMN C=CCN1CCC[C@@H](NC(=O)c2ccncc2Cl)[C@H]1C ZINC000993867577 624174017 /nfs/dbraw/zinc/17/40/17/624174017.db2.gz YXROBXFRIQZONJ-BXUZGUMPSA-N 0 1 293.798 2.504 20 30 CFEDMN C=CCN1CCC[C@H](NC(=O)c2csc(C)c2)[C@H]1C ZINC000993985316 624177073 /nfs/dbraw/zinc/17/70/73/624177073.db2.gz JDNMDGFCWMEJEV-OCCSQVGLSA-N 0 1 278.421 2.825 20 30 CFEDMN C=CCN1CCC[C@@H](NC(=O)c2ncoc2C(C)C)[C@@H]1C ZINC000994168011 624181861 /nfs/dbraw/zinc/18/18/61/624181861.db2.gz NGSWTEXVFUYCOP-QWHCGFSZSA-N 0 1 291.395 2.567 20 30 CFEDMN C=CCN1CCC[C@@H](NC(=O)C(C2CC2)C2CC2)[C@H]1C ZINC000994191363 624181947 /nfs/dbraw/zinc/18/19/47/624181947.db2.gz RYROVIYUMDTNSW-IUODEOHRSA-N 0 1 276.424 2.578 20 30 CFEDMN Cc1n[nH]c(C)c1C=NNc1ccc(C(F)(F)F)cn1 ZINC000915937990 624195005 /nfs/dbraw/zinc/19/50/05/624195005.db2.gz WNPTXVYKLSUCCU-UHFFFAOYSA-N 0 1 283.257 2.886 20 30 CFEDMN CCOc1ccc(C(C)=NNCCN2CCCCC2)cc1 ZINC000915974287 624198702 /nfs/dbraw/zinc/19/87/02/624198702.db2.gz RBFJWFFAFJZDTA-UHFFFAOYSA-N 0 1 289.423 2.885 20 30 CFEDMN COc1ccc(C(C)=NNCCN2CCCCC2)c(F)c1 ZINC000915973779 624198767 /nfs/dbraw/zinc/19/87/67/624198767.db2.gz MFORUVHHMAKBEA-UHFFFAOYSA-N 0 1 293.386 2.634 20 30 CFEDMN COc1c(O)cccc1C=NNc1nc2ccccc2n1C ZINC000915971329 624198873 /nfs/dbraw/zinc/19/88/73/624198873.db2.gz ORJLGGXCTMFOSV-UHFFFAOYSA-N 0 1 296.330 2.734 20 30 CFEDMN COc1c(O)cccc1CN=Nc1nc2ccccc2n1C ZINC000915971329 624198875 /nfs/dbraw/zinc/19/88/75/624198875.db2.gz ORJLGGXCTMFOSV-UHFFFAOYSA-N 0 1 296.330 2.734 20 30 CFEDMN C=CCN1CCC[C@@H](NC(=O)c2ccc(F)cc2C)[C@@H]1C ZINC000994250695 624230288 /nfs/dbraw/zinc/23/02/88/624230288.db2.gz KSVAYCIMKNAIFJ-XJKSGUPXSA-N 0 1 290.382 2.903 20 30 CFEDMN CC(=NNCC(C)C)c1ccc(N2CCOCC2)c(F)c1 ZINC000916365494 624241837 /nfs/dbraw/zinc/24/18/37/624241837.db2.gz AXNJERVOYPOKFF-UHFFFAOYSA-N 0 1 293.386 2.632 20 30 CFEDMN N=C(N)NN=Cc1c2ccccc2[nH]c1-c1ccccc1 ZINC000916592852 624263512 /nfs/dbraw/zinc/26/35/12/624263512.db2.gz ZXEMHPQXMJXUOV-UHFFFAOYSA-N 0 1 277.331 2.652 20 30 CFEDMN C=CCN1CCC[C@H](NC(=O)[C@H]2CC[C@H](C)CC2)[C@@H]1C ZINC000994274791 624268389 /nfs/dbraw/zinc/26/83/89/624268389.db2.gz NEKRTMIKLIBADU-VGWMRTNUSA-N 0 1 278.440 2.968 20 30 CFEDMN C=CCN1CCC[C@H](NC(=O)c2ccc(C)cc2)[C@H]1C ZINC000994295252 624274341 /nfs/dbraw/zinc/27/43/41/624274341.db2.gz ISVVWXVSBGPXRC-ZBFHGGJFSA-N 0 1 272.392 2.764 20 30 CFEDMN CC#CCN1CCC[C@@H](NC(=O)c2cc(C)ccc2C)[C@@H]1C ZINC000994294238 624275007 /nfs/dbraw/zinc/27/50/07/624275007.db2.gz DSIIXVGYLQSBEG-FUHWJXTLSA-N 0 1 298.430 2.909 20 30 CFEDMN C=CC[N@@H+]1CCC[C@H](NC(=O)c2cc3ccccc3[nH]2)[C@@H]1C ZINC000994370026 624277714 /nfs/dbraw/zinc/27/77/14/624277714.db2.gz ZQWIFTCPHHIPSM-ZFWWWQNUSA-N 0 1 297.402 2.937 20 30 CFEDMN C=CCN1CCC[C@H](NC(=O)c2cc3ccccc3[nH]2)[C@@H]1C ZINC000994370026 624277718 /nfs/dbraw/zinc/27/77/18/624277718.db2.gz ZQWIFTCPHHIPSM-ZFWWWQNUSA-N 0 1 297.402 2.937 20 30 CFEDMN C#CCC[N@@H+]1CCC[C@H](NC(=O)c2ccc(C)cc2C)[C@H]1C ZINC000994358342 624277729 /nfs/dbraw/zinc/27/77/29/624277729.db2.gz ZZVIZKJMKUENMI-AEFFLSMTSA-N 0 1 298.430 2.909 20 30 CFEDMN C=CC[N@@H+]1CCC[C@@H](NC(=O)C2(c3ccccc3)CC2)[C@@H]1C ZINC000994352917 624278443 /nfs/dbraw/zinc/27/84/43/624278443.db2.gz SBMVWKJFOZPXHF-DOTOQJQBSA-N 0 1 298.430 2.873 20 30 CFEDMN C=CCN1CCC[C@@H](NC(=O)C2(c3ccccc3)CC2)[C@@H]1C ZINC000994352917 624278444 /nfs/dbraw/zinc/27/84/44/624278444.db2.gz SBMVWKJFOZPXHF-DOTOQJQBSA-N 0 1 298.430 2.873 20 30 CFEDMN C#CCC[N@@H+]1CCC[C@H](NC(=O)c2ccc(C)c(C)c2)[C@@H]1C ZINC000994352856 624278505 /nfs/dbraw/zinc/27/85/05/624278505.db2.gz OHJHHNNNXZVUPA-WMZOPIPTSA-N 0 1 298.430 2.909 20 30 CFEDMN CC(F)(F)CCC(=O)C(C#N)C(=O)NC1CCCCC1 ZINC000916895112 624291978 /nfs/dbraw/zinc/29/19/78/624291978.db2.gz DUVDEDFKJPYXHA-NSHDSACASA-N 0 1 286.322 2.580 20 30 CFEDMN Clc1cc(CN=Nc2ccccn2)cc2c1OCCO2 ZINC000917026758 624300418 /nfs/dbraw/zinc/30/04/18/624300418.db2.gz RGDKLBVFBJMMAF-UHFFFAOYSA-N 0 1 289.722 2.952 20 30 CFEDMN C#CCN1CCC[C@@H](NC(=O)C2CCC(C)(C)CC2)[C@@H]1C ZINC000994484506 624312430 /nfs/dbraw/zinc/31/24/30/624312430.db2.gz IBJCVDGRARGLAF-GOEBONIOSA-N 0 1 290.451 2.805 20 30 CFEDMN C=CCN(CC(=O)N(C1CC1)C1CCCC1)C(C)C ZINC000917168146 624319926 /nfs/dbraw/zinc/31/99/26/624319926.db2.gz PRZLUDQSJNAUBM-UHFFFAOYSA-N 0 1 264.413 2.816 20 30 CFEDMN C=CCN(CC(=O)N(Cc1ccc(C)o1)C1CC1)C(C)C ZINC000917167953 624320156 /nfs/dbraw/zinc/32/01/56/624320156.db2.gz KBQNSEOYGQJCAC-UHFFFAOYSA-N 0 1 290.407 2.975 20 30 CFEDMN C=CCN1CCC[C@@H](NC(=O)c2c(C)cccc2F)[C@@H]1C ZINC000994515203 624325407 /nfs/dbraw/zinc/32/54/07/624325407.db2.gz CBSZWWRYOIIFAD-DZGCQCFKSA-N 0 1 290.382 2.903 20 30 CFEDMN Cc1[nH][nH]c(=O)c1Sc1ccc(C#N)c(C(F)(F)F)c1 ZINC000917413292 624340698 /nfs/dbraw/zinc/34/06/98/624340698.db2.gz ZROPSLPDGOMAON-SNVBAGLBSA-N 0 1 299.277 2.543 20 30 CFEDMN CC(=NNc1ncnc2nc[nH]c21)c1ccccc1Cl ZINC000917554307 624358653 /nfs/dbraw/zinc/35/86/53/624358653.db2.gz BCAZLTUYVVLNRD-UHFFFAOYSA-N 0 1 286.726 2.842 20 30 CFEDMN C(=NNc1ncnc2nc[nH]c21)c1cc2ccccc2o1 ZINC000917555782 624359715 /nfs/dbraw/zinc/35/97/15/624359715.db2.gz OWPSJRKJSSYGPN-UHFFFAOYSA-N 0 1 278.275 2.545 20 30 CFEDMN C=CCN1C(=O)N=NC1SC[C@@]1(C)CC1(Cl)Cl ZINC000829298724 624413082 /nfs/dbraw/zinc/41/30/82/624413082.db2.gz XFVILUPQBMXYAT-SECBINFHSA-N 0 1 294.207 2.846 20 30 CFEDMN CN(CC#Cc1ccccc1)C[C@]1(O)CCc2ccccc21 ZINC000829376640 624428090 /nfs/dbraw/zinc/42/80/90/624428090.db2.gz PJFAHIOBLHEIPQ-HXUWFJFHSA-N 0 1 291.394 2.804 20 30 CFEDMN C[C@@H](C#N)OCCNC1(c2ccccc2Cl)CC1 ZINC000829483753 624442961 /nfs/dbraw/zinc/44/29/61/624442961.db2.gz MGAOHRMSUQUKCQ-NSHDSACASA-N 0 1 264.756 2.847 20 30 CFEDMN C#CC[C@H]1CCCN(Cc2cc(C#N)ccc2F)C1 ZINC000829768487 624528059 /nfs/dbraw/zinc/52/80/59/624528059.db2.gz DTGZHBKSFKCVBK-ZDUSSCGKSA-N 0 1 256.324 2.933 20 30 CFEDMN C#CC[C@@H]1CCCN(CC(=O)N(CC)c2ccccc2)C1 ZINC000829774410 624531411 /nfs/dbraw/zinc/53/14/11/624531411.db2.gz PUVRXXOVDQUSLX-MRXNPFEDSA-N 0 1 284.403 2.775 20 30 CFEDMN C#CC[C@@H]1CCCN(Cc2cc(F)ccc2C#N)C1 ZINC000829789439 624539166 /nfs/dbraw/zinc/53/91/66/624539166.db2.gz WESHPUGGKHKMCD-CYBMUJFWSA-N 0 1 256.324 2.933 20 30 CFEDMN C#CCN1CCC(NC(=O)c2cc3c(cccc3C)o2)CC1 ZINC000830162769 624650839 /nfs/dbraw/zinc/65/08/39/624650839.db2.gz OUPJECUFEOBTCS-UHFFFAOYSA-N 0 1 296.370 2.569 20 30 CFEDMN C#CC1CCN(CC(=O)N[C@@H](c2ccccc2)C2CC2)CC1 ZINC000830338041 624713126 /nfs/dbraw/zinc/71/31/26/624713126.db2.gz OYVFNWAOFCIXOY-IBGZPJMESA-N 0 1 296.414 2.599 20 30 CFEDMN Cc1cccc2[nH]cc(C=NNCCN3CCCCC3)c21 ZINC000920375862 624716090 /nfs/dbraw/zinc/71/60/90/624716090.db2.gz ZZCVMGUNFPAQRN-UHFFFAOYSA-N 0 1 284.407 2.886 20 30 CFEDMN N#CC(C(=O)CCC1CCC1)C(=O)Nc1ccccc1 ZINC000175107412 624927284 /nfs/dbraw/zinc/92/72/84/624927284.db2.gz SNNXXIPIJPVPTB-AWEZNQCLSA-N 0 1 270.332 2.914 20 30 CFEDMN C=C(C)CN1CC[C@H](NC(=O)[C@@]2(C)C[C@@H]2c2ccccc2)C1 ZINC001015824214 624928504 /nfs/dbraw/zinc/92/85/04/624928504.db2.gz IZLXQIJJUYPWDK-SCTDSRPQSA-N 0 1 298.430 2.947 20 30 CFEDMN Cc1cccc(CNCc2ccc(O[C@H](C)C#N)cc2)n1 ZINC000237578330 624964313 /nfs/dbraw/zinc/96/43/13/624964313.db2.gz CZPHORTVQQFBIY-CQSZACIVSA-N 0 1 281.359 2.971 20 30 CFEDMN Cc1noc(C)c1CNCc1ccc(N(C)CCC#N)cc1 ZINC000067977891 624967703 /nfs/dbraw/zinc/96/77/03/624967703.db2.gz UJNPZTMPQNLCGX-UHFFFAOYSA-N 0 1 298.390 2.931 20 30 CFEDMN CC1(C)CCC[C@@](O)(C(=O)Nc2cc(C#N)ccc2O)C1 ZINC000831271307 624980368 /nfs/dbraw/zinc/98/03/68/624980368.db2.gz FBXAFZLNHVZJAI-INIZCTEOSA-N 0 1 288.347 2.534 20 30 CFEDMN CCCCCNC(=O)C(C#N)C(=O)CC1CCCC1 ZINC000069911757 625244054 /nfs/dbraw/zinc/24/40/54/625244054.db2.gz WRUGCOBRMYKCMJ-ZDUSSCGKSA-N 0 1 264.369 2.582 20 30 CFEDMN C=C(Cl)CN[C@H]1CN(C(=O)/C(C)=C/C)CC1(C)C ZINC000995618034 625746107 /nfs/dbraw/zinc/74/61/07/625746107.db2.gz KLAIZKGVROWFLT-JXPAYYINSA-N 0 1 270.804 2.532 20 30 CFEDMN C=C(Cl)CN[C@H]1CN(C(=O)[C@H]2C[C@H]3C[C@H]3C2)CC1(C)C ZINC000996195223 625883275 /nfs/dbraw/zinc/88/32/75/625883275.db2.gz PJNSZLNCSYQAQG-DGAVXFQQSA-N 0 1 296.842 2.612 20 30 CFEDMN CSCC1CCC(=NNCCN2CCCCC2)CC1 ZINC000834942868 625930075 /nfs/dbraw/zinc/93/00/75/625930075.db2.gz NAZSHGQAFYWUSR-UHFFFAOYSA-N 0 1 283.485 2.971 20 30 CFEDMN CCn1ccnc1C(C)=NNc1ccccc1C(=O)OC ZINC000834968203 625936644 /nfs/dbraw/zinc/93/66/44/625936644.db2.gz HMWMHNJWARDGIS-UHFFFAOYSA-N 0 1 286.335 2.526 20 30 CFEDMN Nc1ccc2c(c1)CCCC2=NOC1CCOCC1 ZINC000834970369 625938375 /nfs/dbraw/zinc/93/83/75/625938375.db2.gz VOUBVBGNTKXABV-UHFFFAOYSA-N 0 1 260.337 2.505 20 30 CFEDMN C[C@H](NN=Cc1cccc(Cl)c1O)C(F)(F)F ZINC000834999080 625948855 /nfs/dbraw/zinc/94/88/55/625948855.db2.gz BIPUQCDWJILOBQ-LURJTMIESA-N 0 1 266.650 2.920 20 30 CFEDMN COc1ccc2c(c1)OC(C)(C)CC2=NNc1ccncn1 ZINC000834999973 625949957 /nfs/dbraw/zinc/94/99/57/625949957.db2.gz GOKBVHCAYPGWSV-UHFFFAOYSA-N 0 1 298.346 2.863 20 30 CFEDMN CCC(=[NH+][N-]c1ccncn1)c1ccc(N(C)C)cc1 ZINC000835002353 625950771 /nfs/dbraw/zinc/95/07/71/625950771.db2.gz PHPWVKFWNQTSFB-UHFFFAOYSA-N 0 1 269.352 2.769 20 30 CFEDMN C[C@H](O)c1ccc(CNCc2csc(C#N)c2)cc1 ZINC000921583165 625991265 /nfs/dbraw/zinc/99/12/65/625991265.db2.gz MROHKVVHAAKHCQ-NSHDSACASA-N 0 1 272.373 2.963 20 30 CFEDMN C=CCCC[C@H](NC(=O)Cc1nnc[nH]1)c1ccccc1 ZINC000921645047 626036392 /nfs/dbraw/zinc/03/63/92/626036392.db2.gz LXZMSFCYNDOTBR-AWEZNQCLSA-N 0 1 284.363 2.561 20 30 CFEDMN C=C(Cl)CN[C@H]1CCCN(C(=O)c2cccc(F)c2)C1 ZINC000998433797 626049769 /nfs/dbraw/zinc/04/97/69/626049769.db2.gz QCZDCLDESWJTJL-AWEZNQCLSA-N 0 1 296.773 2.772 20 30 CFEDMN C=C(Cl)CN[C@H]1CCCN(C(=O)c2ccsc2)C1 ZINC000998449316 626051976 /nfs/dbraw/zinc/05/19/76/626051976.db2.gz YHNXYYINBLSTGT-LBPRGKRZSA-N 0 1 284.812 2.695 20 30 CFEDMN C=C(Cl)CN[C@@H]1CCCN(C(=O)C(CC)CC)C1 ZINC000998581728 626056914 /nfs/dbraw/zinc/05/69/14/626056914.db2.gz XMPYFCUVMBJSAM-CYBMUJFWSA-N 0 1 272.820 2.756 20 30 CFEDMN CCn1nc(C)c(CNCc2csc(C#N)c2)c1C ZINC000921673086 626058204 /nfs/dbraw/zinc/05/82/04/626058204.db2.gz XGULWZPFAMDBEM-UHFFFAOYSA-N 0 1 274.393 2.743 20 30 CFEDMN C=C(Cl)CN[C@@H]1CCCN(C(=O)c2cc(C)c(C)o2)C1 ZINC000998920020 626063711 /nfs/dbraw/zinc/06/37/11/626063711.db2.gz LUQHUCKJGJBHMB-CYBMUJFWSA-N 0 1 296.798 2.843 20 30 CFEDMN C=C(Cl)CN[C@H]1CCCN(C(=O)c2cc[nH]c2CC)C1 ZINC000999078973 626065944 /nfs/dbraw/zinc/06/59/44/626065944.db2.gz IMRCQOMRFGTQCX-LBPRGKRZSA-N 0 1 295.814 2.524 20 30 CFEDMN C=C(Cl)CN[C@H]1CCCN(C(=O)C2CC3(CC3)C2)C1 ZINC001000162957 626091566 /nfs/dbraw/zinc/09/15/66/626091566.db2.gz VZIJIFYCLAFUEM-ZDUSSCGKSA-N 0 1 282.815 2.510 20 30 CFEDMN CCC[C@H](O)CNCc1cc(C#N)ccc1Br ZINC000921732369 626100709 /nfs/dbraw/zinc/10/07/09/626100709.db2.gz HPDPBKCAGWGYDZ-LBPRGKRZSA-N 0 1 297.196 2.571 20 30 CFEDMN C=CC[N@@H+]1CC=C(CNC(=O)[C@H]2CCC[C@@H]2C(F)F)CC1 ZINC001000775315 626131738 /nfs/dbraw/zinc/13/17/38/626131738.db2.gz BQYWWGANUOPZPW-KBPBESRZSA-N 0 1 298.377 2.602 20 30 CFEDMN C=CC[N@@H+]1CC=C(CNC(=O)c2cc(F)ccc2F)CC1 ZINC001000775285 626131816 /nfs/dbraw/zinc/13/18/16/626131816.db2.gz APOATMBDCKTHLO-UHFFFAOYSA-N 0 1 292.329 2.513 20 30 CFEDMN CC#CCN1CC=C(CNC(=O)[C@@H]2CCC[C@@H]2CC)CC1 ZINC001001116995 626146185 /nfs/dbraw/zinc/14/61/85/626146185.db2.gz QWGBBKISODELBS-DLBZAZTESA-N 0 1 288.435 2.584 20 30 CFEDMN CC[C@@H]1CN(CCCCC2(C#N)CCC2)CCO1 ZINC000929256549 626177785 /nfs/dbraw/zinc/17/77/85/626177785.db2.gz CTCXVECJRCXZNC-CQSZACIVSA-N 0 1 250.386 2.961 20 30 CFEDMN CO[C@@H](C)[C@H](C)NCc1cc(C#N)ccc1Br ZINC000922037987 626199739 /nfs/dbraw/zinc/19/97/39/626199739.db2.gz GSAWLYFHOZZNHE-UWVGGRQHSA-N 0 1 297.196 2.834 20 30 CFEDMN Cc1cc(C#N)cc(C)c1CNCc1n[nH]c(C(C)C)n1 ZINC000922155100 626220213 /nfs/dbraw/zinc/22/02/13/626220213.db2.gz UOZUEWSTVNSJAR-UHFFFAOYSA-N 0 1 283.379 2.706 20 30 CFEDMN CC#CCN1CCC(NC(=O)[C@H]2C[C@]2(CC)C(C)C)CC1 ZINC001003877090 626265112 /nfs/dbraw/zinc/26/51/12/626265112.db2.gz GKUDDRFANRDBEJ-SJLPKXTDSA-N 0 1 290.451 2.663 20 30 CFEDMN CC#CCN1CCC(NC(=O)[C@H]2CC[C@H](CC)CC2)CC1 ZINC001004016447 626277547 /nfs/dbraw/zinc/27/75/47/626277547.db2.gz KOZVFYVIHAECDM-WKILWMFISA-N 0 1 290.451 2.807 20 30 CFEDMN CC#CCN1CCC(NC(=O)[C@H](C)c2ccccc2C)CC1 ZINC001004188566 626301556 /nfs/dbraw/zinc/30/15/56/626301556.db2.gz HUDIRDIBRYNHNZ-MRXNPFEDSA-N 0 1 298.430 2.702 20 30 CFEDMN CC#CCN1CCC(NC(=O)c2coc3ccccc23)CC1 ZINC001004267896 626319077 /nfs/dbraw/zinc/31/90/77/626319077.db2.gz UEKIQPUYAGYTGZ-UHFFFAOYSA-N 0 1 296.370 2.650 20 30 CFEDMN Cc1cc(CNC(C)(C)Cc2ccc(C#N)cc2)no1 ZINC000922604675 626323420 /nfs/dbraw/zinc/32/34/20/626323420.db2.gz VLQBEQYHHCMWCK-UHFFFAOYSA-N 0 1 269.348 2.966 20 30 CFEDMN CC(C)C(=O)N(C)C1CCN(CC#Cc2ccccc2)CC1 ZINC001005122814 626411959 /nfs/dbraw/zinc/41/19/59/626411959.db2.gz PEDVJGGBNIJUBO-UHFFFAOYSA-N 0 1 298.430 2.617 20 30 CFEDMN C#CCN1CCC(N(C)C(=O)C2CCCCCC2)CC1 ZINC001005175914 626412486 /nfs/dbraw/zinc/41/24/86/626412486.db2.gz TWMPSKRJNQNLRJ-UHFFFAOYSA-N 0 1 276.424 2.513 20 30 CFEDMN CC#CCN1CCC(N(C)C(=O)C[C@H]2CCC[C@H]2C)CC1 ZINC001005433494 626415292 /nfs/dbraw/zinc/41/52/92/626415292.db2.gz OCHLPLFJWVXHAT-HZPDHXFCSA-N 0 1 290.451 2.759 20 30 CFEDMN N#Cc1csc(CNCC[C@H]2OCCc3ccccc32)n1 ZINC000922957665 626433159 /nfs/dbraw/zinc/43/31/59/626433159.db2.gz FDZNZWNZJZEHIU-OAHLLOKOSA-N 0 1 299.399 2.808 20 30 CFEDMN CC(C)(C#N)c1ccc(CNCc2cncc(O)c2)cc1 ZINC000922975232 626435830 /nfs/dbraw/zinc/43/58/30/626435830.db2.gz BZYICQGBJIQEHS-UHFFFAOYSA-N 0 1 281.359 2.878 20 30 CFEDMN CC#CCN1CCC(N(C)C(=O)C[C@H]2CC[C@H](C)C2)CC1 ZINC001005853720 626440485 /nfs/dbraw/zinc/44/04/85/626440485.db2.gz WWBKCZXVMVJEAP-HOTGVXAUSA-N 0 1 290.451 2.759 20 30 CFEDMN CC#CCN1CCC(N(C)C(=O)C[C@@H]2CC[C@H](C)C2)CC1 ZINC001005853722 626440563 /nfs/dbraw/zinc/44/05/63/626440563.db2.gz WWBKCZXVMVJEAP-JKSUJKDBSA-N 0 1 290.451 2.759 20 30 CFEDMN CC#CCN1CCC(N(C)C(=O)[C@]2(C)CCC[C@H]2C)CC1 ZINC001005952088 626453626 /nfs/dbraw/zinc/45/36/26/626453626.db2.gz ZUXJBMBPTXLXNW-CRAIPNDOSA-N 0 1 290.451 2.759 20 30 CFEDMN C=CC(C)(C)CCNC(=O)NCc1cc(N(C)C)ccn1 ZINC000923392046 626470354 /nfs/dbraw/zinc/47/03/54/626470354.db2.gz SBCXVPMDLRHNJG-UHFFFAOYSA-N 0 1 290.411 2.549 20 30 CFEDMN CC#CCN1CCC(N(C)C(=O)[C@H]2C[C@]2(C)C(C)C)CC1 ZINC001006229995 626480947 /nfs/dbraw/zinc/48/09/47/626480947.db2.gz XBKWWWLARVXBHP-SJLPKXTDSA-N 0 1 290.451 2.615 20 30 CFEDMN N#C[C@H](c1ccccc1)[C@H]1CCCN1C[C@H](O)C1CC1 ZINC000838861585 626511710 /nfs/dbraw/zinc/51/17/10/626511710.db2.gz JNLNMGBDSYUFJR-ZACQAIPSSA-N 0 1 270.376 2.529 20 30 CFEDMN Cc1cccc(CNC(=O)C(C#N)C(=O)[C@@H](C)C2CCC2)c1 ZINC000838866961 626512123 /nfs/dbraw/zinc/51/21/23/626512123.db2.gz YRCUCFAYSICFCK-BBRMVZONSA-N 0 1 298.386 2.756 20 30 CFEDMN N#CC(C(=O)C=C[C@H]1CCCO1)c1nc(C2CC2)cs1 ZINC000842942138 626523027 /nfs/dbraw/zinc/52/30/27/626523027.db2.gz GJFDHDYPJIVIIB-IEVRTODYSA-N 0 1 288.372 2.932 20 30 CFEDMN N#C[C@H](C(=O)C=C[C@H]1CCCO1)c1nc(C2CC2)cs1 ZINC000842942138 626523028 /nfs/dbraw/zinc/52/30/28/626523028.db2.gz GJFDHDYPJIVIIB-IEVRTODYSA-N 0 1 288.372 2.932 20 30 CFEDMN C#CCC1(C(=O)N2CCN(CC(C)C)CC2)CCCCC1 ZINC000788133240 626524852 /nfs/dbraw/zinc/52/48/52/626524852.db2.gz DFXAGGOUAQIZKZ-UHFFFAOYSA-N 0 1 290.451 2.760 20 30 CFEDMN CCC(N=Nc1cc([N+](=O)[O-])ccc1C)c1cn[nH]c1 ZINC000789000624 626538688 /nfs/dbraw/zinc/53/86/88/626538688.db2.gz OBYAZKRAYPKYEE-UHFFFAOYSA-N 0 1 273.296 2.853 20 30 CFEDMN CCC(N=Nc1ccc(F)c([N+](=O)[O-])c1)c1cn[nH]c1 ZINC000789051677 626539004 /nfs/dbraw/zinc/53/90/04/626539004.db2.gz VSYAPTCIRXRBSD-UHFFFAOYSA-N 0 1 277.259 2.683 20 30 CFEDMN C#C[C@@H](NCc1cc2c(C)nn(C)c2nc1Cl)C(C)C ZINC000809685283 626547621 /nfs/dbraw/zinc/54/76/21/626547621.db2.gz LOLWPOKPDVGLMA-CYBMUJFWSA-N 0 1 290.798 2.678 20 30 CFEDMN Cc1ccc(C(=O)/C=C\c2ccc3c(c2)nnn3C)c(O)c1 ZINC000757475901 626553211 /nfs/dbraw/zinc/55/32/11/626553211.db2.gz NEQKXHCGTOGWHY-YVMONPNESA-N 0 1 293.326 2.878 20 30 CFEDMN Cc1ccc(C(=O)/C=C/c2ccc3c(c2)nnn3C)c(O)c1 ZINC000757475900 626553249 /nfs/dbraw/zinc/55/32/49/626553249.db2.gz NEQKXHCGTOGWHY-VMPITWQZSA-N 0 1 293.326 2.878 20 30 CFEDMN C#Cc1cccc(NS(=O)(=O)c2cncc(Cl)c2)c1 ZINC000757926886 626567716 /nfs/dbraw/zinc/56/77/16/626567716.db2.gz XBELSKRWVDNRTJ-UHFFFAOYSA-N 0 1 292.747 2.517 20 30 CFEDMN CCC(N=Nc1ccc([N+](=O)[O-])cc1)c1ccn(C)n1 ZINC000758071102 626575474 /nfs/dbraw/zinc/57/54/74/626575474.db2.gz YTRUIDGHDLTYBR-UHFFFAOYSA-N 0 1 273.296 2.555 20 30 CFEDMN Cc1nnc(C)n1N=C/C=C\c1ccc(F)cc1F ZINC000758083302 626575898 /nfs/dbraw/zinc/57/58/98/626575898.db2.gz IPXROVNUVAHXGF-LQQBLGBGSA-N 0 1 262.263 2.720 20 30 CFEDMN CC(=NOCc1cccnc1)c1ccc(N)cc1C ZINC000758118922 626577319 /nfs/dbraw/zinc/57/73/19/626577319.db2.gz KXYRTRRQXOXVIQ-UHFFFAOYSA-N 0 1 255.321 2.913 20 30 CFEDMN CC(=NNc1cccnn1)c1c(Cl)cccc1[N+](=O)[O-] ZINC000758125244 626577785 /nfs/dbraw/zinc/57/77/85/626577785.db2.gz SHQOWDNXGAAZDW-UHFFFAOYSA-N 0 1 291.698 2.874 20 30 CFEDMN Cc1cc[nH+]c([N-]N=Cc2nc(C(C)(C)C)no2)c1 ZINC000758124442 626577801 /nfs/dbraw/zinc/57/78/01/626577801.db2.gz KTXZUUWWUJYOHY-UHFFFAOYSA-N 0 1 259.313 2.517 20 30 CFEDMN Cn1ccc(C=NNc2cncc(Br)c2)c1 ZINC000758130478 626578071 /nfs/dbraw/zinc/57/80/71/626578071.db2.gz QXPQBQZIADDALZ-UHFFFAOYSA-N 0 1 279.141 2.629 20 30 CFEDMN CC[C@@H](C)[C@H]1CCCC[N@H+]1Cn1cccc(C#N)c1=O ZINC000758225642 626584006 /nfs/dbraw/zinc/58/40/06/626584006.db2.gz ZHKVBNGEVLBFCU-UKRRQHHQSA-N 0 1 273.380 2.578 20 30 CFEDMN CC[C@@H](C)[C@H]1CCCCN1Cn1cccc(C#N)c1=O ZINC000758225642 626584008 /nfs/dbraw/zinc/58/40/08/626584008.db2.gz ZHKVBNGEVLBFCU-UKRRQHHQSA-N 0 1 273.380 2.578 20 30 CFEDMN CCC[C@@H](C)[C@@H]1CCCN1Cn1cccc(C#N)c1=O ZINC000758236668 626584396 /nfs/dbraw/zinc/58/43/96/626584396.db2.gz DPXLHPOGEISLGR-HIFRSBDPSA-N 0 1 273.380 2.578 20 30 CFEDMN COc1cc(Cl)cc(CN=Nc2cc(C)ncn2)c1O ZINC000758873128 626614291 /nfs/dbraw/zinc/61/42/91/626614291.db2.gz ASFFUZCXTLIZFN-UHFFFAOYSA-N 0 1 292.726 2.599 20 30 CFEDMN C=CCCC[C@@H](C)OC(=O)C(C)(C)NC(=O)C(F)(F)F ZINC000759131223 626629781 /nfs/dbraw/zinc/62/97/81/626629781.db2.gz WHQMFEXBVVHMQR-SECBINFHSA-N 0 1 295.301 2.732 20 30 CFEDMN C#CCCCC(=O)OCCN(C)Cc1ccc(F)cc1 ZINC000759176725 626633062 /nfs/dbraw/zinc/63/30/62/626633062.db2.gz PVWQMESHJSNRNU-UHFFFAOYSA-N 0 1 277.339 2.604 20 30 CFEDMN Cc1cccc(NC(=O)C(C#N)C(=O)CC2(C)CC2)c1 ZINC000759429738 626657777 /nfs/dbraw/zinc/65/77/77/626657777.db2.gz ATURWGFTOWTMRP-ZDUSSCGKSA-N 0 1 270.332 2.833 20 30 CFEDMN C#CCOCCN1CCC[C@@H]1c1ccc(F)c(F)c1 ZINC000851769662 634517648 /nfs/dbraw/zinc/51/76/48/634517648.db2.gz KLVTYWQYHLUWHM-OAHLLOKOSA-N 0 1 265.303 2.752 20 30 CFEDMN Cc1cc(N=NCc2cc(F)cc3cccnc32)ncn1 ZINC000760259969 626725936 /nfs/dbraw/zinc/72/59/36/626725936.db2.gz ZJUZMIKRMNQZKH-UHFFFAOYSA-N 0 1 281.294 2.918 20 30 CFEDMN N#C[C@H](C(=O)C=CSc1ccccc1)c1ccncn1 ZINC000760337718 626736454 /nfs/dbraw/zinc/73/64/54/626736454.db2.gz BHUKNMBPQAYMBD-JWJUJFCLSA-N 0 1 281.340 2.959 20 30 CFEDMN N#CC(C(=O)C=CSc1ccccc1)c1ccncn1 ZINC000760337718 626736455 /nfs/dbraw/zinc/73/64/55/626736455.db2.gz BHUKNMBPQAYMBD-JWJUJFCLSA-N 0 1 281.340 2.959 20 30 CFEDMN CC(C)(O)c1cccc(NC(=O)c2ccc(C#N)c(O)c2)c1 ZINC000760867065 626779327 /nfs/dbraw/zinc/77/93/27/626779327.db2.gz CNSIXUXUOFMXJE-UHFFFAOYSA-N 0 1 296.326 2.744 20 30 CFEDMN Cn1cnc2cc(C=NNc3ccccc3[N+](=O)[O-])ccc21 ZINC000761254578 626819066 /nfs/dbraw/zinc/81/90/66/626819066.db2.gz QDUOXRDSLGTLCV-UHFFFAOYSA-N 0 1 295.302 2.928 20 30 CFEDMN COc1cc(C)c(C(C)=NNc2nccn2C)cc1OC ZINC000790305973 626849701 /nfs/dbraw/zinc/84/97/01/626849701.db2.gz RNEGXHGLNOQBCW-UHFFFAOYSA-N 0 1 288.351 2.582 20 30 CFEDMN C[C@@H]1CC(N=Nc2ccc(Cl)cc2[N+](=O)[O-])CN1C ZINC000761812331 626860347 /nfs/dbraw/zinc/86/03/47/626860347.db2.gz NRJBWBQLYZMGNX-MRVPVSSYSA-N 0 1 282.731 2.740 20 30 CFEDMN CC(=NNc1cnn(C)c1)c1nc(C(F)(F)F)cs1 ZINC000761868112 626866910 /nfs/dbraw/zinc/86/69/10/626866910.db2.gz WHTKCUFDSDKCDU-UHFFFAOYSA-N 0 1 289.286 2.732 20 30 CFEDMN CC(C)Oc1ccc(CN=Nc2cnn(C)c2)cc1 ZINC000761881097 626869252 /nfs/dbraw/zinc/86/92/52/626869252.db2.gz JHRYQXNPLFJNOJ-UHFFFAOYSA-N 0 1 258.325 2.653 20 30 CFEDMN C#CCCc1noc(-c2cc(-c3cccc(OC)c3)n[nH]2)n1 ZINC000762016271 626881464 /nfs/dbraw/zinc/88/14/64/626881464.db2.gz KKBYQSPPTRLFOC-UHFFFAOYSA-N 0 1 294.314 2.701 20 30 CFEDMN CCC(CC)[C@H](C)C(=O)C(C#N)C(=O)Nc1ccccn1 ZINC000762043143 626883804 /nfs/dbraw/zinc/88/38/04/626883804.db2.gz YUGUXYRUDREQKB-WCQYABFASA-N 0 1 287.363 2.801 20 30 CFEDMN N#Cc1cc(COC(=O)c2ccc(O)c(Cl)c2)ccn1 ZINC000762830151 626942150 /nfs/dbraw/zinc/94/21/50/626942150.db2.gz MNEFRGIAFNYMAD-UHFFFAOYSA-N 0 1 288.690 2.669 20 30 CFEDMN Cn1c2ccccc2nc1C(C#N)C(=O)Cc1ccco1 ZINC000763040678 626958380 /nfs/dbraw/zinc/95/83/80/626958380.db2.gz GMSJBQAHTFPZNM-LBPRGKRZSA-N 0 1 279.299 2.585 20 30 CFEDMN C#CCN1CCC[C@@H]1COC(=O)[C@H](CCC)C(C)C ZINC000764624485 627077470 /nfs/dbraw/zinc/07/74/70/627077470.db2.gz HIOGICFIYZLGKF-HUUCEWRRSA-N 0 1 265.397 2.700 20 30 CFEDMN C#CCN(CC)C(=O)[C@H]1CCCCN1Cc1ccccc1 ZINC000764877260 627103929 /nfs/dbraw/zinc/10/39/29/627103929.db2.gz FPSMFMSNHXHSTE-QGZVFWFLSA-N 0 1 284.403 2.523 20 30 CFEDMN CC(C)COc1ccccc1C(=O)NC1=NO[C@@H](C)C1 ZINC000765370336 627132903 /nfs/dbraw/zinc/13/29/03/627132903.db2.gz VUCMMPHPFKYRKF-NSHDSACASA-N 0 1 276.336 2.574 20 30 CFEDMN C[C@H]1CC(=NC(=O)c2cc3cc(F)ccc3s2)NO1 ZINC000765374821 627133398 /nfs/dbraw/zinc/13/33/98/627133398.db2.gz ZXIZVNPBDNMMTQ-ZETCQYMHSA-N 0 1 278.308 2.893 20 30 CFEDMN C[C@H]1CC(NC(=O)c2cncc(-c3ccccc3)c2)=NO1 ZINC000765376987 627133832 /nfs/dbraw/zinc/13/38/32/627133832.db2.gz RHLBPPIQAXSIIR-NSHDSACASA-N 0 1 281.315 2.601 20 30 CFEDMN Cc1cc(=NN=Cc2ncccc2C(F)(F)F)nc[nH]1 ZINC000765577198 627148398 /nfs/dbraw/zinc/14/83/98/627148398.db2.gz RCACBFVJCHNQNZ-UHFFFAOYSA-N 0 1 281.241 2.645 20 30 CFEDMN Cc1cc(NN=Cc2ncccc2C(F)(F)F)ncn1 ZINC000765577198 627148400 /nfs/dbraw/zinc/14/84/00/627148400.db2.gz RCACBFVJCHNQNZ-UHFFFAOYSA-N 0 1 281.241 2.645 20 30 CFEDMN N#C[C@H]1CCC[C@H](NCc2nnc(-c3ccccc3)[nH]2)C1 ZINC000765942114 627166017 /nfs/dbraw/zinc/16/60/17/627166017.db2.gz YDHLZJDULZYSFK-JSGCOSHPSA-N 0 1 281.363 2.644 20 30 CFEDMN C[C@@H]1CC(C)(C)CC1=NNCCN1CCCCC1 ZINC000766012344 627170952 /nfs/dbraw/zinc/17/09/52/627170952.db2.gz WTBIXKFSSQKIHL-CYBMUJFWSA-N 0 1 251.418 2.874 20 30 CFEDMN Cc1cc(C=NNc2ccc(F)cn2)ccc1C#N ZINC000766451743 627203995 /nfs/dbraw/zinc/20/39/95/627203995.db2.gz VXMFQKQWGKITIJ-UHFFFAOYSA-N 0 1 254.268 2.847 20 30 CFEDMN CC(C)(C)[C@@H]1CC[N@@H+](Cn2cc3c(c(C#N)c2=O)CCC3)C1 ZINC000766634681 627212317 /nfs/dbraw/zinc/21/23/17/627212317.db2.gz OZOOHILEWDJUTI-CQSZACIVSA-N 0 1 299.418 2.534 20 30 CFEDMN CC(C)(C)[C@@H]1CCN(Cn2cc3c(c(C#N)c2=O)CCC3)C1 ZINC000766634681 627212321 /nfs/dbraw/zinc/21/23/21/627212321.db2.gz OZOOHILEWDJUTI-CQSZACIVSA-N 0 1 299.418 2.534 20 30 CFEDMN Cc1cncc(C(=O)/C=C\c2cc(O)ccc2[N+](=O)[O-])c1 ZINC000767366404 627245488 /nfs/dbraw/zinc/24/54/88/627245488.db2.gz KCLWICMVDQQZGC-DJWKRKHSSA-N 0 1 284.271 2.900 20 30 CFEDMN CON=Cc1c(C)nn(-c2ccccc2)c1N1CCCC1 ZINC000767478307 627254258 /nfs/dbraw/zinc/25/42/58/627254258.db2.gz QNUGWKKTEZETQH-UHFFFAOYSA-N 0 1 284.363 2.761 20 30 CFEDMN CC(C)CN(CCC#N)Cc1cc(O)ccc1[N+](=O)[O-] ZINC000768153557 627321417 /nfs/dbraw/zinc/32/14/17/627321417.db2.gz HSXJPTPKSCPUOF-UHFFFAOYSA-N 0 1 277.324 2.672 20 30 CFEDMN C[C@@H]1CCC[C@@H](C=NNCCN2CCCCC2)C1 ZINC000768359204 627336507 /nfs/dbraw/zinc/33/65/07/627336507.db2.gz BBUCNLMFQQDGGS-HUUCEWRRSA-N 0 1 251.418 2.874 20 30 CFEDMN N#Cc1ccc(CCN2CCC[C@H]2c2ncc[nH]2)cc1 ZINC000851886917 634571056 /nfs/dbraw/zinc/57/10/56/634571056.db2.gz LASZVSGDBLZEAB-HNNXBMFYSA-N 0 1 266.348 2.661 20 30 CFEDMN N#Cc1cccc([C@@H]2CN(C[C@@H]3C[C@H]4C[C@H]4C3)CCO2)c1 ZINC000851881662 634570220 /nfs/dbraw/zinc/57/02/20/634570220.db2.gz NASOPTMMQSYJJW-RANZSIQMSA-N 0 1 282.387 2.978 20 30 CFEDMN CCn1nc(C=NNc2ccccn2)c2ccccc21 ZINC000769778504 627473383 /nfs/dbraw/zinc/47/33/83/627473383.db2.gz SCEPHAZTTMGJEX-UHFFFAOYSA-N 0 1 265.320 2.897 20 30 CFEDMN CCn1nc(C=NN=c2cccc[nH]2)c2ccccc21 ZINC000769778504 627473385 /nfs/dbraw/zinc/47/33/85/627473385.db2.gz SCEPHAZTTMGJEX-UHFFFAOYSA-N 0 1 265.320 2.897 20 30 CFEDMN COc1ccsc1C(C)=NNCCN1CCCCC1 ZINC000769781572 627473917 /nfs/dbraw/zinc/47/39/17/627473917.db2.gz PJOSHKYAJLHGPZ-UHFFFAOYSA-N 0 1 281.425 2.556 20 30 CFEDMN Oc1c(F)cc(Cl)cc1C=NNCC(F)(F)F ZINC000769809528 627477209 /nfs/dbraw/zinc/47/72/09/627477209.db2.gz CQYJAINHHFKRSD-UHFFFAOYSA-N 0 1 270.613 2.671 20 30 CFEDMN C#C[C@@H](C)N(C)Cc1ccc(OCC)c(OCC)c1 ZINC000769960626 627491882 /nfs/dbraw/zinc/49/18/82/627491882.db2.gz FDTOIKHNKAMIBA-CYBMUJFWSA-N 0 1 261.365 2.938 20 30 CFEDMN CN(C)Cc1ccc(NCc2ccc(C#N)o2)cc1F ZINC000770601236 627533081 /nfs/dbraw/zinc/53/30/81/627533081.db2.gz LIAZYDRLHQQIMH-UHFFFAOYSA-N 0 1 273.311 2.964 20 30 CFEDMN CCc1nn(C)cc1C=NNc1cccc(C(F)(F)F)n1 ZINC000770604586 627533796 /nfs/dbraw/zinc/53/37/96/627533796.db2.gz BEZJWZBCMNQANJ-UHFFFAOYSA-N 0 1 297.284 2.842 20 30 CFEDMN C#CCN1CCC[C@H]1COC(=O)C1(Cc2ccccc2)CC1 ZINC000771286802 627590809 /nfs/dbraw/zinc/59/08/09/627590809.db2.gz GHCWJJZGEJKWNT-KRWDZBQOSA-N 0 1 297.398 2.650 20 30 CFEDMN Cn1cc(CN=Nc2ccccn2)c(-c2ccccc2)n1 ZINC000771556111 627613579 /nfs/dbraw/zinc/61/35/79/627613579.db2.gz WFAOJPOJHORXKJ-UHFFFAOYSA-N 0 1 277.331 2.928 20 30 CFEDMN CCN(C)c1ccc(C(C)=NN[C@@H](C)CC#N)cc1 ZINC000771885015 627641858 /nfs/dbraw/zinc/64/18/58/627641858.db2.gz KEFOMIQOGJKZCK-LBPRGKRZSA-N 0 1 258.369 2.758 20 30 CFEDMN CC(C)[C@@H](C(=O)OCCCSCC#N)N1CCCCC1 ZINC000805459881 627688137 /nfs/dbraw/zinc/68/81/37/627688137.db2.gz QMSXOOJMZCWWHF-AWEZNQCLSA-N 0 1 298.452 2.687 20 30 CFEDMN C=C(C)COCCN[C@H](C)c1c(CC)noc1C ZINC000773057647 627775741 /nfs/dbraw/zinc/77/57/41/627775741.db2.gz CQXRMORPSPWLFZ-LLVKDONJSA-N 0 1 252.358 2.789 20 30 CFEDMN Cc1cc(C=NNc2nccnc2C(C)C)sn1 ZINC000773072465 627778316 /nfs/dbraw/zinc/77/83/16/627778316.db2.gz GHLKVJNJJZOKID-UHFFFAOYSA-N 0 1 261.354 2.811 20 30 CFEDMN Cc1ncc(C=NNc2nccnc2C(C)C)s1 ZINC000773092163 627782596 /nfs/dbraw/zinc/78/25/96/627782596.db2.gz ZUPVQDICWYQXDT-UHFFFAOYSA-N 0 1 261.354 2.811 20 30 CFEDMN C=CCCOCCN[C@@H](C)c1c(C)onc1CC ZINC000773106721 627784227 /nfs/dbraw/zinc/78/42/27/627784227.db2.gz LRQOQKUYAIIMOW-NSHDSACASA-N 0 1 252.358 2.789 20 30 CFEDMN CC1(C)CCC[C@@H]1C(=O)[C@H](C#N)C(=O)Nc1ccccn1 ZINC000773990715 627876963 /nfs/dbraw/zinc/87/69/63/627876963.db2.gz WIMQYLWHUIKIMB-NWDGAFQWSA-N 0 1 285.347 2.555 20 30 CFEDMN C#CCN1CCC[C@H]1COC(=O)[C@@H](C)CC(C)(C)C ZINC000774063863 627883701 /nfs/dbraw/zinc/88/37/01/627883701.db2.gz TVMUOBHBVIRXMZ-KBPBESRZSA-N 0 1 265.397 2.700 20 30 CFEDMN CCOCCON=C1C[C@H](C)CN(Cc2ccccc2)C1 ZINC000774430222 627924572 /nfs/dbraw/zinc/92/45/72/627924572.db2.gz BILIQAPTEPEEHF-HNNXBMFYSA-N 0 1 290.407 2.938 20 30 CFEDMN C[C@@H]1CC(=NOC2CCOCC2)CN1Cc1ccccc1 ZINC000774444741 627926817 /nfs/dbraw/zinc/92/68/17/627926817.db2.gz NVPPLIQAQRNCAL-CQSZACIVSA-N 0 1 288.391 2.832 20 30 CFEDMN C#C[C@H](NCc1ccc(Cl)cc1C)[C@@H]1CCCO1 ZINC000775339950 628011842 /nfs/dbraw/zinc/01/18/42/628011842.db2.gz DYQBOZAXWPRUAK-GJZGRUSLSA-N 0 1 263.768 2.919 20 30 CFEDMN C#C[C@H](NCc1cccc(C(F)(F)F)c1)[C@H]1CCCO1 ZINC000775343009 628012507 /nfs/dbraw/zinc/01/25/07/628012507.db2.gz UQBYMSIUXOLSMP-UONOGXRCSA-N 0 1 283.293 2.976 20 30 CFEDMN C#C[C@@H](NCc1ccccc1C1CC1)[C@@H]1CCCO1 ZINC000775341608 628012520 /nfs/dbraw/zinc/01/25/20/628012520.db2.gz MIJGQVAYFJYJNN-SJORKVTESA-N 0 1 255.361 2.834 20 30 CFEDMN C#C[C@@H](NCc1ccc(N(CC)CC)cc1)[C@@H]1CCCO1 ZINC000775344229 628013501 /nfs/dbraw/zinc/01/35/01/628013501.db2.gz FMJQSLDYCSBTSR-MSOLQXFVSA-N 0 1 286.419 2.803 20 30 CFEDMN C#C[C@@H](NCc1ccc(OC(F)F)cc1)[C@H]1CCCO1 ZINC000775347097 628014065 /nfs/dbraw/zinc/01/40/65/628014065.db2.gz XEMGUODYNTZQMJ-ZIAGYGMSSA-N 0 1 281.302 2.558 20 30 CFEDMN C#C[C@@H](NCc1ccc(SC)c(OC)c1)[C@@H]1CCCO1 ZINC000775347489 628014322 /nfs/dbraw/zinc/01/43/22/628014322.db2.gz GZFCMJKMKKFJRH-KGLIPLIRSA-N 0 1 291.416 2.688 20 30 CFEDMN C#CC[C@H](NCC(=O)NC1CCCCC1)c1ccccc1 ZINC000775401267 628021054 /nfs/dbraw/zinc/02/10/54/628021054.db2.gz YDIPLYFSGDUYQU-KRWDZBQOSA-N 0 1 284.403 2.790 20 30 CFEDMN C#C[C@H](N[C@H]1CCc2cc(F)ccc21)[C@@H]1CCCO1 ZINC000775571318 628039558 /nfs/dbraw/zinc/03/95/58/628039558.db2.gz FKFMNVWIIPERHH-JYJNAYRXSA-N 0 1 259.324 2.583 20 30 CFEDMN C#C[C@H](N[C@@H](C)c1ccc(OC)c(OC)c1)[C@@H]1CCCO1 ZINC000775571167 628039874 /nfs/dbraw/zinc/03/98/74/628039874.db2.gz BIILHHKFRRLJEO-QEJZJMRPSA-N 0 1 289.375 2.535 20 30 CFEDMN C#C[C@H](N[C@@H](C)c1ccc(C)cc1OC)[C@H]1CCCO1 ZINC000775571450 628039882 /nfs/dbraw/zinc/03/98/82/628039882.db2.gz HIKRAMJIWPUQNQ-CWRNSKLLSA-N 0 1 273.376 2.835 20 30 CFEDMN C#C[C@H](N[C@H]1CCc2cc(F)ccc21)[C@H]1CCCO1 ZINC000775571317 628040116 /nfs/dbraw/zinc/04/01/16/628040116.db2.gz FKFMNVWIIPERHH-HRCADAONSA-N 0 1 259.324 2.583 20 30 CFEDMN C#C[C@H](N[C@@H]1CCSc2ccccc21)[C@@H]1CCCO1 ZINC000775573660 628041226 /nfs/dbraw/zinc/04/12/26/628041226.db2.gz IMQAHLJPAKOIOX-ZNMIVQPWSA-N 0 1 273.401 2.994 20 30 CFEDMN C#C[C@H](N[C@H](C)c1sc(CC)nc1C)[C@H]1CCCO1 ZINC000775573959 628041556 /nfs/dbraw/zinc/04/15/56/628041556.db2.gz MADZOXKYMCTSRU-KGYLQXTDSA-N 0 1 278.421 2.845 20 30 CFEDMN C#C[C@H](N[C@@H](C)c1ccc(F)c(F)c1)[C@@H]1CCCO1 ZINC000775573364 628041675 /nfs/dbraw/zinc/04/16/75/628041675.db2.gz HPOPOVMOYIDGOX-LKTVYLICSA-N 0 1 265.303 2.796 20 30 CFEDMN C#C[C@H](N[C@H]1CCc2c1cc(F)cc2F)[C@H]1CCCO1 ZINC000775573537 628041794 /nfs/dbraw/zinc/04/17/94/628041794.db2.gz HQFUUVDOBUIMFF-HRCADAONSA-N 0 1 277.314 2.723 20 30 CFEDMN C#C[C@H](N[C@@H]1CCCc2ccc(F)cc21)[C@@H]1CCCO1 ZINC000775575880 628042969 /nfs/dbraw/zinc/04/29/69/628042969.db2.gz ZZSLVXVVOSCCIS-BBWFWOEESA-N 0 1 273.351 2.974 20 30 CFEDMN C=CCCOCCCCC(=O)Nc1cc(C#N)ccc1O ZINC000775794003 628069158 /nfs/dbraw/zinc/06/91/58/628069158.db2.gz SZYZYMORFDIKRL-UHFFFAOYSA-N 0 1 288.347 2.965 20 30 CFEDMN C#C[C@H](NCc1ccccc1C(F)(F)F)[C@@H]1CCCO1 ZINC000775798004 628069670 /nfs/dbraw/zinc/06/96/70/628069670.db2.gz HEYPCNOZIJDEIQ-KBPBESRZSA-N 0 1 283.293 2.976 20 30 CFEDMN C#C[C@H](NCc1ccccc1C(C)(C)C#N)[C@H]1CCCO1 ZINC000775796131 628069950 /nfs/dbraw/zinc/06/99/50/628069950.db2.gz TTXMMKMARQYRIA-DLBZAZTESA-N 0 1 282.387 2.758 20 30 CFEDMN N#CCc1ccc(COC(=O)[C@H]2CCCc3[nH]ncc32)cc1 ZINC000776109900 628104546 /nfs/dbraw/zinc/10/45/46/628104546.db2.gz FPZFCXCCSBVVHG-AWEZNQCLSA-N 0 1 295.342 2.639 20 30 CFEDMN C[C@@H]1CCN(Cc2ccccc2)CC1N=NCC(F)F ZINC000776185505 628112719 /nfs/dbraw/zinc/11/27/19/628112719.db2.gz CBAOVOBOOSHNHN-GFCCVEGCSA-N 0 1 281.350 2.739 20 30 CFEDMN O=C(/C=C\c1cc(O)ccc1[N+](=O)[O-])c1cscn1 ZINC000776192091 628114603 /nfs/dbraw/zinc/11/46/03/628114603.db2.gz HXWSODJTNBSQHF-RJRFIUFISA-N 0 1 276.273 2.653 20 30 CFEDMN N#C[C@@H](OC(=O)[C@H]1CCCc2[nH]ncc21)C1CCCCC1 ZINC000776395816 628142603 /nfs/dbraw/zinc/14/26/03/628142603.db2.gz BOSGDOXKJGKGHR-SWLSCSKDSA-N 0 1 287.363 2.845 20 30 CFEDMN C[C@@H]1CC[C@H](C(=O)C(C#N)C(=O)Nc2ccccc2)C1 ZINC000776515685 628155247 /nfs/dbraw/zinc/15/52/47/628155247.db2.gz IZBYRSVMZRONBT-MBNYWOFBSA-N 0 1 270.332 2.770 20 30 CFEDMN C#CCCN1CCN(Cc2ccc(OC(C)C)cc2)CC1 ZINC000776594553 628162935 /nfs/dbraw/zinc/16/29/35/628162935.db2.gz MIODJVAAICLSJU-UHFFFAOYSA-N 0 1 286.419 2.615 20 30 CFEDMN CC(=NNc1cnnc2ccccc21)c1cnn(C)c1C ZINC000778542814 628313492 /nfs/dbraw/zinc/31/34/92/628313492.db2.gz YIMHUOJSTYHBMV-UHFFFAOYSA-N 0 1 280.335 2.508 20 30 CFEDMN Nc1nc(Cl)cc(NN=Cc2c(O)cccc2Cl)n1 ZINC000778548776 628314877 /nfs/dbraw/zinc/31/48/77/628314877.db2.gz IKGQAIJZUMDSKD-UHFFFAOYSA-N 0 1 298.133 2.517 20 30 CFEDMN C=CC[C@@H](C(=O)NCc1cc(CC)[nH]n1)c1ccccc1 ZINC000778807145 628333079 /nfs/dbraw/zinc/33/30/79/628333079.db2.gz PCPFOYVCPKWQJU-MRXNPFEDSA-N 0 1 283.375 2.948 20 30 CFEDMN C#C[C@@](C)(CC)N[C@H](C)C(=O)N(CC)c1ccccc1 ZINC000852097116 634650517 /nfs/dbraw/zinc/65/05/17/634650517.db2.gz LTKGBSMDQVCYDM-PBHICJAKSA-N 0 1 272.392 2.820 20 30 CFEDMN C#C[C@@](C)(CC)NCC(=O)N1c2ccccc2CC[C@H]1C ZINC000852097080 634650980 /nfs/dbraw/zinc/65/09/80/634650980.db2.gz KVSNHEMUEDTWON-KDOFPFPSSA-N 0 1 284.403 2.746 20 30 CFEDMN C#C[C@@](C)(CC)N[C@@H](C)C(=O)Nc1ccccc1CC ZINC000852099365 634653331 /nfs/dbraw/zinc/65/33/31/634653331.db2.gz KRUAUIUWJICNJZ-GUYCJALGSA-N 0 1 272.392 2.968 20 30 CFEDMN COc1ccc(C=NNc2cccc(OC)n2)c(OC)c1 ZINC000779818718 628410861 /nfs/dbraw/zinc/41/08/61/628410861.db2.gz XBPJMGIOCKPQQL-UHFFFAOYSA-N 0 1 287.319 2.553 20 30 CFEDMN COc1cccc(N=NCc2c[nH]nc2-c2cccs2)n1 ZINC000779817764 628410870 /nfs/dbraw/zinc/41/08/70/628410870.db2.gz NHAQKIJAMOIFHC-UHFFFAOYSA-N 0 1 299.359 2.988 20 30 CFEDMN C#C[C@@](C)(CC)N[C@@H](C)C(=O)N(CCC#N)c1ccccc1 ZINC000852100110 634654107 /nfs/dbraw/zinc/65/41/07/634654107.db2.gz FOGDXBFUTVRVAZ-YJBOKZPZSA-N 0 1 297.402 2.713 20 30 CFEDMN Cc1cc(NN=Cc2c[nH]nc2-c2ccsc2)nc(C)n1 ZINC000780211070 628439524 /nfs/dbraw/zinc/43/95/24/628439524.db2.gz BQXWSRNFQRZWMB-UHFFFAOYSA-N 0 1 298.375 2.991 20 30 CFEDMN COc1ccc(NN=Cc2cccc(-n3cccn3)c2)nc1 ZINC000780266744 628448420 /nfs/dbraw/zinc/44/84/20/628448420.db2.gz AONKHHKXTOGKBK-UHFFFAOYSA-N 0 1 293.330 2.722 20 30 CFEDMN COc1ccc(N=NC2CCN(Cc3ccccc3)C2)nc1 ZINC000780268120 628448568 /nfs/dbraw/zinc/44/85/68/628448568.db2.gz FLYLTJCRMPUSJZ-UHFFFAOYSA-N 0 1 296.374 2.764 20 30 CFEDMN COc1ccc(NN=Cc2c[nH]c3ccc(C#N)cc23)nc1 ZINC000780268420 628448671 /nfs/dbraw/zinc/44/86/71/628448671.db2.gz IYDYNHHLWFLEOZ-UHFFFAOYSA-N 0 1 291.314 2.889 20 30 CFEDMN COc1ccc(NN=C2CCc3c2cccc3O)nc1 ZINC000780271127 628449311 /nfs/dbraw/zinc/44/93/11/628449311.db2.gz PWNMZIHLTHRKPD-UHFFFAOYSA-N 0 1 269.304 2.558 20 30 CFEDMN COc1ccc(NN=C(C)c2ccc(O)c(OC)c2)nc1 ZINC000780271095 628449333 /nfs/dbraw/zinc/44/93/33/628449333.db2.gz PGIUVVKIYBRYHH-UHFFFAOYSA-N 0 1 287.319 2.641 20 30 CFEDMN C#CCCOc1ccc(CN=Nc2ccc(OC)cn2)cc1 ZINC000780275431 628449449 /nfs/dbraw/zinc/44/94/49/628449449.db2.gz WSTUMKSMXLORDD-UHFFFAOYSA-N 0 1 295.342 2.938 20 30 CFEDMN COc1ccc(N=NCc2c[nH]nc2C(C)(C)C)nc1 ZINC000780275359 628449489 /nfs/dbraw/zinc/44/94/89/628449489.db2.gz VGHUCPQDKLNIRP-UHFFFAOYSA-N 0 1 273.340 2.557 20 30 CFEDMN COc1ccc(CNCc2ccc(C#N)cn2)cc1C ZINC000780555259 628475547 /nfs/dbraw/zinc/47/55/47/628475547.db2.gz FOBSQTBDCKCZGG-UHFFFAOYSA-N 0 1 267.332 2.560 20 30 CFEDMN C#C[C@@](C)(CC)NCc1ccc([N+](=O)[O-])c(OCC)c1 ZINC000852103532 634659500 /nfs/dbraw/zinc/65/95/00/634659500.db2.gz KEKFJFKIOANUGC-HNNXBMFYSA-N 0 1 276.336 2.885 20 30 CFEDMN C#CCN(C(=O)c1cc(-c2ccc(C)c(C)c2)[nH]n1)C1CC1 ZINC000781026195 628513761 /nfs/dbraw/zinc/51/37/61/628513761.db2.gz RMINAIBUMAYGCK-UHFFFAOYSA-N 0 1 293.370 2.931 20 30 CFEDMN Cc1ccc([C@H](O)CN[C@H](C)c2ccc(C#N)cc2F)o1 ZINC000781423419 628547835 /nfs/dbraw/zinc/54/78/35/628547835.db2.gz QBZXORDLTKYDRR-IAQYHMDHSA-N 0 1 288.322 2.983 20 30 CFEDMN CCCCCCNC(=O)C(C#N)C(=O)[C@@H]1CCCCS1 ZINC000783346322 628700552 /nfs/dbraw/zinc/70/05/52/628700552.db2.gz DSOMCAMHNFJEEZ-OLZOCXBDSA-N 0 1 296.436 2.677 20 30 CFEDMN CCC(=NNC1=N[C@@H]2CCCC[C@@H]2N1)c1cccc(F)c1 ZINC000783522338 628716209 /nfs/dbraw/zinc/71/62/09/628716209.db2.gz QJSXUTULIBSYIY-GASCZTMLSA-N 0 1 288.370 2.800 20 30 CFEDMN C=CCS(=O)(=O)CCN[C@@H]1CCc2ccc(Cl)cc21 ZINC000783533382 628718243 /nfs/dbraw/zinc/71/82/43/628718243.db2.gz ZDRUTURAYGAUGP-CQSZACIVSA-N 0 1 299.823 2.518 20 30 CFEDMN C[C@@H]1CCCC[C@@H]1C=NNCCN1CCCCC1 ZINC000783827316 628747982 /nfs/dbraw/zinc/74/79/82/628747982.db2.gz NMNLBWKCQIGVRG-HUUCEWRRSA-N 0 1 251.418 2.874 20 30 CFEDMN Cc1cc(N=NCc2cc(-n3ccnc3)cs2)nc(C)n1 ZINC000783829100 628748537 /nfs/dbraw/zinc/74/85/37/628748537.db2.gz XSOFPPPOVUKVCV-UHFFFAOYSA-N 0 1 298.375 2.787 20 30 CFEDMN CCC(CC)NN=Cc1cn(-c2ccncc2)nc1C ZINC000783846315 628749533 /nfs/dbraw/zinc/74/95/33/628749533.db2.gz MGXSQDLKKIUTON-UHFFFAOYSA-N 0 1 271.368 2.688 20 30 CFEDMN Cc1cccc(NC(=O)C(C#N)C(=O)[C@H](F)C(C)C)c1 ZINC000784491736 628821328 /nfs/dbraw/zinc/82/13/28/628821328.db2.gz YLFLOUZXQYDTIB-QWHCGFSZSA-N 0 1 276.311 2.637 20 30 CFEDMN C#CC[C@H]1CCCN(Cc2ccc(F)cc2[N+](=O)[O-])C1 ZINC000852206832 634689351 /nfs/dbraw/zinc/68/93/51/634689351.db2.gz SPZUUBPOGRQFCL-LBPRGKRZSA-N 0 1 276.311 2.969 20 30 CFEDMN Cc1cc(COC(=O)CN2[C@@H](C)CC[C@@H]2C)ccc1C#N ZINC000785725511 628907843 /nfs/dbraw/zinc/90/78/43/628907843.db2.gz AJAQMWFRWUUEJJ-KBPBESRZSA-N 0 1 286.375 2.783 20 30 CFEDMN C=CCCN(C)CN1C[C@@H](c2ccccc2C)CC1=O ZINC000786101056 628937216 /nfs/dbraw/zinc/93/72/16/628937216.db2.gz ILUHDUHEYGAUPX-HNNXBMFYSA-N 0 1 272.392 2.776 20 30 CFEDMN CCCC(C)(C)CC(=O)C(C#N)C(=O)N1CCCC1 ZINC000786296611 628947279 /nfs/dbraw/zinc/94/72/79/628947279.db2.gz KKVPRZASSYIWOJ-GFCCVEGCSA-N 0 1 264.369 2.534 20 30 CFEDMN COC(C)(C)CC(=O)[C@@H](C#N)c1nc2cccc(C)c2[nH]1 ZINC000786424806 628955371 /nfs/dbraw/zinc/95/53/71/628955371.db2.gz YWNQHQUMOPBLSS-LLVKDONJSA-N 0 1 285.347 2.863 20 30 CFEDMN Cc1cccc(CNC(=O)C(C#N)C(=O)[C@H]2CC[C@H](C)C2)c1 ZINC000786553084 628968381 /nfs/dbraw/zinc/96/83/81/628968381.db2.gz RZOKMVVBZAXEIO-CWRNSKLLSA-N 0 1 298.386 2.756 20 30 CFEDMN CC[C@@H](NC(=O)C(C#N)C(=O)[C@H]1C[C@@H]1C)c1ccccc1 ZINC000787047259 628990084 /nfs/dbraw/zinc/99/00/84/628990084.db2.gz UZZIZHHXHBVMMQ-CYUUQNCZSA-N 0 1 284.359 2.619 20 30 CFEDMN CC[C@@H](NC(=O)C(C#N)C(=O)CC1CC1)c1ccccc1 ZINC000787043719 628990146 /nfs/dbraw/zinc/99/01/46/628990146.db2.gz BXXCASNRZOSDNL-LSDHHAIUSA-N 0 1 284.359 2.763 20 30 CFEDMN N#Cc1ccc(O)c(NC(=O)C23CC(C(F)(F)F)(C2)C3)c1 ZINC000787153811 628996622 /nfs/dbraw/zinc/99/66/22/628996622.db2.gz CGSZPQMCUGLXGS-UHFFFAOYSA-N 0 1 296.248 2.935 20 30 CFEDMN CC(=NNc1ncnc2nc[nH]c21)c1csc(Cl)c1 ZINC000787153640 628996656 /nfs/dbraw/zinc/99/66/56/628996656.db2.gz NPIYDSOXOAFNEN-UHFFFAOYSA-N 0 1 292.755 2.904 20 30 CFEDMN CC(=NNC1=N[C@@H]2CCCC[C@H]2N1)c1csc(Cl)c1 ZINC000787163483 628996977 /nfs/dbraw/zinc/99/69/77/628996977.db2.gz ROZUSNJXBCMSFQ-GHMZBOCLSA-N 0 1 296.827 2.986 20 30 CFEDMN CCCCCCCC(=O)N1CCC2(CN(C)C2)C1 ZINC000788203385 629050383 /nfs/dbraw/zinc/05/03/83/629050383.db2.gz OZSAMKUMBNLBCJ-UHFFFAOYSA-N 0 1 252.402 2.511 20 30 CFEDMN COc1ccc(NN=C2CCCc3cc(C#N)cnc32)nc1 ZINC000788441707 629067708 /nfs/dbraw/zinc/06/77/08/629067708.db2.gz VJPHNPKKMAEVPW-UHFFFAOYSA-N 0 1 293.330 2.509 20 30 CFEDMN C=C(Br)CN([C@H](C)CO)C1CCCC1 ZINC000788466024 629071394 /nfs/dbraw/zinc/07/13/94/629071394.db2.gz CWYCXNNVXIPXOQ-SNVBAGLBSA-N 0 1 262.191 2.520 20 30 CFEDMN Cc1ccc2nc(CN=Nc3ccc([N+](=O)[O-])cc3)cn2c1 ZINC000788928516 629109573 /nfs/dbraw/zinc/10/95/73/629109573.db2.gz KHNKOBIESWYRDK-UHFFFAOYSA-N 0 1 295.302 2.997 20 30 CFEDMN C#CCN(CC#CC)CC[C@@H](C)OCc1ccccc1 ZINC000789321792 629147341 /nfs/dbraw/zinc/14/73/41/629147341.db2.gz KSUDMLHUILVQLA-QGZVFWFLSA-N 0 1 269.388 2.940 20 30 CFEDMN COc1ccc(CN=Nc2ncccc2C)cc1C#N ZINC000790184792 629216763 /nfs/dbraw/zinc/21/67/63/629216763.db2.gz BVTJDCXPXRAKMF-UHFFFAOYSA-N 0 1 266.304 2.716 20 30 CFEDMN CC(=NNc1ncccc1C)c1ccc([S@](C)=O)cc1 ZINC000790187762 629217342 /nfs/dbraw/zinc/21/73/42/629217342.db2.gz ZQHLISUXSKEQKW-FQEVSTJZSA-N 0 1 287.388 2.964 20 30 CFEDMN CC[C@H](C)NN=CC1(CN2CCOCC2)CCCCC1 ZINC000790191865 629218948 /nfs/dbraw/zinc/21/89/48/629218948.db2.gz YXEKGAVMKHTNKP-HNNXBMFYSA-N 0 1 281.444 2.643 20 30 CFEDMN Cn1cc[nH+]c1[N-]N=Cc1cc(Br)ccc1F ZINC000790300144 629227433 /nfs/dbraw/zinc/22/74/33/629227433.db2.gz SXSJQISLNCNGED-UHFFFAOYSA-N 0 1 297.131 2.768 20 30 CFEDMN Cn1ccnc1N=NCc1ccc(OCC(F)F)cc1 ZINC000790300042 629227843 /nfs/dbraw/zinc/22/78/43/629227843.db2.gz OGKOBDWCQAUYIC-UHFFFAOYSA-N 0 1 280.278 2.510 20 30 CFEDMN Cc1cc(Cl)cc2c1OCCC2=NNc1nccn1C ZINC000790302008 629228406 /nfs/dbraw/zinc/22/84/06/629228406.db2.gz LNXMFAIHTFHSTA-UHFFFAOYSA-N 0 1 290.754 2.981 20 30 CFEDMN C#CCOc1ccc(CN2CCO[C@H](C(C)(C)C)C2)cc1 ZINC000790932119 629272167 /nfs/dbraw/zinc/27/21/67/629272167.db2.gz UVCKQPVIENJKOM-KRWDZBQOSA-N 0 1 287.403 2.946 20 30 CFEDMN C#C[C@H](NCc1cccc(C(F)F)c1)[C@@H]1CCCO1 ZINC000791493893 629320997 /nfs/dbraw/zinc/32/09/97/629320997.db2.gz OLIPMZGBWZHFCQ-KBPBESRZSA-N 0 1 265.303 2.895 20 30 CFEDMN Cn1c2ccccc2nc1C(C#N)C(=O)CSC(F)F ZINC000835034930 629329263 /nfs/dbraw/zinc/32/92/63/629329263.db2.gz CCZINUXFFGYJPD-MRVPVSSYSA-N 0 1 295.314 2.705 20 30 CFEDMN N#CC(C(=O)CSC1CC1)c1nc2ccccc2[nH]1 ZINC000835037063 629332299 /nfs/dbraw/zinc/33/22/99/629332299.db2.gz OQDICLDLTYIOOO-SNVBAGLBSA-N 0 1 271.345 2.635 20 30 CFEDMN N#Cc1sccc1N1CCN(CC2CC(F)(F)C2)CC1 ZINC000852342464 634727959 /nfs/dbraw/zinc/72/79/59/634727959.db2.gz DPIQJTPNMOFSFX-UHFFFAOYSA-N 0 1 297.374 2.787 20 30 CFEDMN CCCCCNC(=O)C(C#N)C(=O)[C@H]1CCC[C@H]1CC ZINC000835057139 629362460 /nfs/dbraw/zinc/36/24/60/629362460.db2.gz RCWMLAVIWOQELA-HZSPNIEDSA-N 0 1 278.396 2.828 20 30 CFEDMN CC[C@@H]1CCC[C@H]1C(=O)C(C#N)C(=O)NCc1ccccc1 ZINC000835061259 629364954 /nfs/dbraw/zinc/36/49/54/629364954.db2.gz KGFWDQSHMQDSRU-BZUAXINKSA-N 0 1 298.386 2.838 20 30 CFEDMN CC(C)CC(CC(C)C)C(=O)C(C#N)C(=O)NC(C)C ZINC000835065001 629365682 /nfs/dbraw/zinc/36/56/82/629365682.db2.gz LKOUQPCTKIKLAT-CQSZACIVSA-N 0 1 280.412 2.928 20 30 CFEDMN CC[C@@H]1CCC[C@H]1C(=O)[C@@H](C#N)C(=O)NC1CCCCC1 ZINC000835063857 629365973 /nfs/dbraw/zinc/36/59/73/629365973.db2.gz RMOWIRVOHDRGOY-BPLDGKMQSA-N 0 1 290.407 2.970 20 30 CFEDMN CC(C)CCCC(=O)C(C#N)C(=O)NC1CCCCC1 ZINC000835063902 629366248 /nfs/dbraw/zinc/36/62/48/629366248.db2.gz RWLNQROWNRODKA-AWEZNQCLSA-N 0 1 278.396 2.970 20 30 CFEDMN CC[C@@H]1CCC[C@@H]1C(=O)[C@H](C#N)C(=O)NC1CCCCC1 ZINC000835063859 629366299 /nfs/dbraw/zinc/36/62/99/629366299.db2.gz RMOWIRVOHDRGOY-SNPRPXQTSA-N 0 1 290.407 2.970 20 30 CFEDMN CC[C@@H](C)CC(=O)C(C#N)C(=O)NCc1cccc(C)c1 ZINC000791890450 629372182 /nfs/dbraw/zinc/37/21/82/629372182.db2.gz IIRJCMWMAKSQCB-DOMZBBRYSA-N 0 1 286.375 2.756 20 30 CFEDMN C=CCN(Cc1ccnc(Br)c1)[C@@H](C)COC ZINC000852356313 634731175 /nfs/dbraw/zinc/73/11/75/634731175.db2.gz ASAJEVRWJYPLNX-NSHDSACASA-N 0 1 299.212 2.867 20 30 CFEDMN N#CC(C(=O)C1CCOCC1)c1nccc2ccccc21 ZINC000792100140 629397207 /nfs/dbraw/zinc/39/72/07/629397207.db2.gz KJMXKLMDVQHBPW-OAHLLOKOSA-N 0 1 280.327 2.838 20 30 CFEDMN CC[C@@H]1CC[C@@H](C(=O)C(C#N)c2cnc3ccccc3n2)O1 ZINC000792109902 629397847 /nfs/dbraw/zinc/39/78/47/629397847.db2.gz WOVYRRSCEXTBOA-HSMVNMDESA-N 0 1 295.342 2.764 20 30 CFEDMN CCO[C@@H](CC)C(=O)C(C#N)c1cnc2ccccc2n1 ZINC000792111160 629398840 /nfs/dbraw/zinc/39/88/40/629398840.db2.gz XPSQOCJPHHFDEV-ABAIWWIYSA-N 0 1 283.331 2.621 20 30 CFEDMN N#CCN(Cc1c(O)ccc(Cl)c1F)C1CC1 ZINC000792167676 629404868 /nfs/dbraw/zinc/40/48/68/629404868.db2.gz YDYQPOOCLKSZAK-UHFFFAOYSA-N 0 1 254.692 2.673 20 30 CFEDMN C#CCN(C)CCOc1cc(Cl)ccc1Cl ZINC000792303183 629419410 /nfs/dbraw/zinc/41/94/10/629419410.db2.gz ZPXYASBAMJKHPE-UHFFFAOYSA-N 0 1 258.148 2.937 20 30 CFEDMN C=CCN(CCOC)C[C@@H](O)c1ccc(Cl)c(F)c1 ZINC000792407759 629424458 /nfs/dbraw/zinc/42/44/58/629424458.db2.gz WULOWEBZBJELAI-CQSZACIVSA-N 0 1 287.762 2.647 20 30 CFEDMN N#Cc1ccc(COC(=O)c2ccc3cncn3c2)cc1F ZINC000792552624 629433047 /nfs/dbraw/zinc/43/30/47/629433047.db2.gz UMRZACCIUWVARK-UHFFFAOYSA-N 0 1 295.273 2.702 20 30 CFEDMN COc1ccc(CNCc2ccnn2C(C)C)cc1C#N ZINC000793030313 629477878 /nfs/dbraw/zinc/47/78/78/629477878.db2.gz TXODWZTUKMYRRN-UHFFFAOYSA-N 0 1 284.363 2.634 20 30 CFEDMN COc1nccnc1CN=Nc1c(F)cccc1Cl ZINC000793040021 629479161 /nfs/dbraw/zinc/47/91/61/629479161.db2.gz BRUHXKNRKZEOOG-UHFFFAOYSA-N 0 1 280.690 2.724 20 30 CFEDMN Clc1cccc(NN=Cc2c[nH]nc2-c2cccnc2)n1 ZINC000793163678 629495550 /nfs/dbraw/zinc/49/55/50/629495550.db2.gz MJSLEPKMGOEHFM-UHFFFAOYSA-N 0 1 298.737 2.966 20 30 CFEDMN Clc1cccc(NN=Cc2cnc3ccccn23)n1 ZINC000793181214 629500672 /nfs/dbraw/zinc/50/06/72/629500672.db2.gz LTRNFCCDUNJIPB-UHFFFAOYSA-N 0 1 271.711 2.829 20 30 CFEDMN COc1ccc(C=NNc2cccc(Cl)n2)c(O)c1 ZINC000793181578 629500761 /nfs/dbraw/zinc/50/07/61/629500761.db2.gz UQRUCBJZGVDQQC-UHFFFAOYSA-N 0 1 277.711 2.895 20 30 CFEDMN C#CCOc1ccc(CN2C[C@@H](C3CC3)O[C@@H](C)C2)cc1 ZINC000793215762 629507039 /nfs/dbraw/zinc/50/70/39/629507039.db2.gz WLOCZOXHHONBBM-KSSFIOAISA-N 0 1 285.387 2.698 20 30 CFEDMN C[C@@H]1CC(N=Nc2ncncc2F)CN1Cc1ccccc1 ZINC000793225156 629509133 /nfs/dbraw/zinc/50/91/33/629509133.db2.gz IDQNOPCKUOAABL-GFCCVEGCSA-N 0 1 299.353 2.678 20 30 CFEDMN CO[C@H]1CCC[C@H](CC(=O)Nc2cc(C#N)ccc2O)C1 ZINC000793734470 629589673 /nfs/dbraw/zinc/58/96/73/629589673.db2.gz BQAQQYUGNVJSEJ-AAEUAGOBSA-N 0 1 288.347 2.798 20 30 CFEDMN CO[C@H]1CCC[C@@H](CC(=O)Nc2cc(C#N)ccc2O)C1 ZINC000793734473 629589761 /nfs/dbraw/zinc/58/97/61/629589761.db2.gz BQAQQYUGNVJSEJ-YPMHNXCESA-N 0 1 288.347 2.798 20 30 CFEDMN CCc1cccc(F)c1C=NNCCN1CCCCC1 ZINC000794495686 629651145 /nfs/dbraw/zinc/65/11/45/629651145.db2.gz TXWAWQHLJWMMQZ-UHFFFAOYSA-N 0 1 277.387 2.798 20 30 CFEDMN Cc1ccncc1CN=Nc1ccc(Br)cn1 ZINC000794506588 629651723 /nfs/dbraw/zinc/65/17/23/629651723.db2.gz RZBOHVQCEOUHPJ-UHFFFAOYSA-N 0 1 291.152 2.994 20 30 CFEDMN C[C@@H]1CCC[C@H](C)N1CC(N)=NOCCC(C)(C)C#N ZINC000794528623 629655165 /nfs/dbraw/zinc/65/51/65/629655165.db2.gz QHKSRXFLFPYCPP-BETUJISGSA-N 0 1 280.416 2.688 20 30 CFEDMN CC(C)[C@H](NC[C@H](C#N)CCC#N)[C@@H](O)c1ccccc1 ZINC000794611866 629668779 /nfs/dbraw/zinc/66/87/79/629668779.db2.gz MDTFLTOCSDOZBW-XIRDDKMYSA-N 0 1 285.391 2.778 20 30 CFEDMN Cc1cnn(C)c1/C=C\C(=O)c1ccc(C)cc1O ZINC000794702685 629676368 /nfs/dbraw/zinc/67/63/68/629676368.db2.gz RJWCSTKCBTXKJR-SREVYHEPSA-N 0 1 256.305 2.639 20 30 CFEDMN Cc1cc(=O)[nH]c(N=NC=CCc2ccc(F)c(F)c2)n1 ZINC000794857344 629696033 /nfs/dbraw/zinc/69/60/33/629696033.db2.gz SUSDUJWRBXYEGD-DDWFUMEVSA-N 0 1 290.273 2.880 20 30 CFEDMN c1ccc([C@H]2CCCC2=NNCCN2CCCCC2)nc1 ZINC000794895717 629701319 /nfs/dbraw/zinc/70/13/19/629701319.db2.gz HVJWAUUYEQLLSK-OAHLLOKOSA-N 0 1 286.423 2.781 20 30 CFEDMN CC(=NNc1ccc(C)cn1)c1ccccc1-n1ccnn1 ZINC000794902692 629701596 /nfs/dbraw/zinc/70/15/96/629701596.db2.gz SMLCPYDWCKPSKS-UHFFFAOYSA-N 0 1 292.346 2.807 20 30 CFEDMN CC(=NNc1ccc(C)cn1)c1ccc2c(c1)OCC(=O)N2 ZINC000794901896 629701763 /nfs/dbraw/zinc/70/17/63/629701763.db2.gz KOHJZTNDDIXZGQ-UHFFFAOYSA-N 0 1 296.330 2.557 20 30 CFEDMN Cc1cc(NN=C2CCOc3cc(F)ccc32)ncn1 ZINC000794912249 629703620 /nfs/dbraw/zinc/70/36/20/629703620.db2.gz APIFLVZJUKSNNE-UHFFFAOYSA-N 0 1 272.283 2.523 20 30 CFEDMN COc1ccc(CN=Nc2cncnc2)c(OC(F)F)c1 ZINC000794972242 629713153 /nfs/dbraw/zinc/71/31/53/629713153.db2.gz NDDPMWADECGUQM-UHFFFAOYSA-N 0 1 294.261 2.533 20 30 CFEDMN C[C@H]1CCN(Cc2ccccc2)CC1N=Nc1cncnc1 ZINC000794978899 629714881 /nfs/dbraw/zinc/71/48/81/629714881.db2.gz PMILUUUKZDAUBN-AWEZNQCLSA-N 0 1 295.390 2.787 20 30 CFEDMN CCc1cccc2c1OCCC2=NNc1cncnc1 ZINC000794979035 629715044 /nfs/dbraw/zinc/71/50/44/629715044.db2.gz VCWUCNXOQRFLLC-UHFFFAOYSA-N 0 1 268.320 2.638 20 30 CFEDMN CC(C)Oc1ccccc1C=NNc1cncnc1 ZINC000794979890 629716024 /nfs/dbraw/zinc/71/60/24/629716024.db2.gz XYILQPDPJBXKPN-UHFFFAOYSA-N 0 1 256.309 2.710 20 30 CFEDMN O=C1Nc2ccc(Cl)cc2C1=NNc1ncccc1F ZINC000794985377 629717912 /nfs/dbraw/zinc/71/79/12/629717912.db2.gz SFGKJRHKYYCNNK-UHFFFAOYSA-N 0 1 290.685 2.642 20 30 CFEDMN Cn1cnc2cc(C=NNc3cccc(F)n3)ccc21 ZINC000795006144 629721852 /nfs/dbraw/zinc/72/18/52/629721852.db2.gz DWWRFXBDAXFJPU-UHFFFAOYSA-N 0 1 269.283 2.553 20 30 CFEDMN N#CC(C(=O)NCc1ccccc1)C(=O)C1CCCCCC1 ZINC000102118955 629755674 /nfs/dbraw/zinc/75/56/74/629755674.db2.gz NRAWPJPHACXPAA-MRXNPFEDSA-N 0 1 298.386 2.982 20 30 CFEDMN C[C@H](CC(=O)[C@H](C#N)C(=O)NC1CC1)C1CCCCC1 ZINC000102120112 629815301 /nfs/dbraw/zinc/81/53/01/629815301.db2.gz SFPSZYWCJOYJDL-RISCZKNCSA-N 0 1 276.380 2.580 20 30 CFEDMN N#CC(C(=O)NC1CCCCC1)C(=O)[C@@H]1CCC(F)(F)C1 ZINC000796633001 629943265 /nfs/dbraw/zinc/94/32/65/629943265.db2.gz MHXURYICTHLYIT-ZYHUDNBSSA-N 0 1 298.333 2.580 20 30 CFEDMN CCCCCNC(=O)C(C#N)C(=O)CC1CC(C)(C)C1 ZINC000796742641 629958529 /nfs/dbraw/zinc/95/85/29/629958529.db2.gz VGBRPCFTMCHSCD-CYBMUJFWSA-N 0 1 278.396 2.828 20 30 CFEDMN CCc1ccc(NC(=O)[C@H](C#N)C(=O)c2cncs2)cc1 ZINC000796747920 629959331 /nfs/dbraw/zinc/95/93/31/629959331.db2.gz RNMFBFKBEXFWJG-GFCCVEGCSA-N 0 1 299.355 2.667 20 30 CFEDMN CCc1ccc(NC(=O)C(C#N)C(=O)c2cncs2)cc1 ZINC000796747920 629959334 /nfs/dbraw/zinc/95/93/34/629959334.db2.gz RNMFBFKBEXFWJG-GFCCVEGCSA-N 0 1 299.355 2.667 20 30 CFEDMN N#C[C@H](C(=O)Cc1coc2ccccc12)c1ccncn1 ZINC000797315170 630055332 /nfs/dbraw/zinc/05/53/32/630055332.db2.gz TVEVGCKJGJNGLU-ZDUSSCGKSA-N 0 1 277.283 2.642 20 30 CFEDMN CO[C@@H](C)C(=O)C(C#N)c1ncc(C(C)(C)C)s1 ZINC000797566441 630082170 /nfs/dbraw/zinc/08/21/70/630082170.db2.gz JYCKOBNITTWFET-DTWKUNHWSA-N 0 1 266.366 2.652 20 30 CFEDMN C=CC[C@H](CC)NC(=O)NCc1n[nH]c(-c2ccccc2)n1 ZINC000798421357 630190730 /nfs/dbraw/zinc/19/07/30/630190730.db2.gz KBSINJSIFZVVQR-ZDUSSCGKSA-N 0 1 299.378 2.626 20 30 CFEDMN C=CC[C@H](CC)NC(=O)NCc1nc(-c2ccccc2)n[nH]1 ZINC000798421357 630190734 /nfs/dbraw/zinc/19/07/34/630190734.db2.gz KBSINJSIFZVVQR-ZDUSSCGKSA-N 0 1 299.378 2.626 20 30 CFEDMN CC(C)[C@@H](C(=O)C(C#N)c1nc2ccccc2o1)N(C)C ZINC000798817688 630241458 /nfs/dbraw/zinc/24/14/58/630241458.db2.gz FJISCNUAEMRPEP-FZMZJTMJSA-N 0 1 285.347 2.590 20 30 CFEDMN CC(C)[C@@H](C(=O)C(C#N)c1nc2ccccc2o1)N(C)C ZINC000798817689 630241748 /nfs/dbraw/zinc/24/17/48/630241748.db2.gz FJISCNUAEMRPEP-RISCZKNCSA-N 0 1 285.347 2.590 20 30 CFEDMN C=C(Cl)C[N@@H+]1CC[C@H](N(C)c2ccccc2)C1 ZINC000852653774 634799164 /nfs/dbraw/zinc/79/91/64/634799164.db2.gz ANYGXYGXUCALBX-AWEZNQCLSA-N 0 1 250.773 2.950 20 30 CFEDMN C=C(Cl)CN1CC[C@H](N(C)c2ccccc2)C1 ZINC000852653774 634799170 /nfs/dbraw/zinc/79/91/70/634799170.db2.gz ANYGXYGXUCALBX-AWEZNQCLSA-N 0 1 250.773 2.950 20 30 CFEDMN Cc1nn(C(C)C)cc1CN=Nc1ncccc1C ZINC000799113894 630276308 /nfs/dbraw/zinc/27/63/08/630276308.db2.gz MFISMGHSDKFQSU-UHFFFAOYSA-N 0 1 257.341 2.922 20 30 CFEDMN FC(F)(F)c1cc(C=NNc2ccc3n[nH]cc3c2)[nH]n1 ZINC000799484889 630313990 /nfs/dbraw/zinc/31/39/90/630313990.db2.gz JQDUBGYYIBAJJJ-UHFFFAOYSA-N 0 1 294.240 2.751 20 30 CFEDMN COc1cc(C[N@H+]2CC[C@H](c3ccccn3)C2)ccc1C#N ZINC000799734949 630341575 /nfs/dbraw/zinc/34/15/75/630341575.db2.gz HERZSOYZILNKGZ-INIZCTEOSA-N 0 1 293.370 2.951 20 30 CFEDMN Cc1c(C)c(O)c(C=NNc2ccccn2)c(C)c1O ZINC000799869536 630349716 /nfs/dbraw/zinc/34/97/16/630349716.db2.gz WKLQRGGICXNEKD-UHFFFAOYSA-N 0 1 271.320 2.864 20 30 CFEDMN CCCC[C@@H](C)C(=O)C(C#N)C(=O)NC1CCCCC1 ZINC000800385215 630376085 /nfs/dbraw/zinc/37/60/85/630376085.db2.gz USNMEEVIJFHONE-TZMCWYRMSA-N 0 1 278.396 2.970 20 30 CFEDMN FCCC[C@H]1CCCC1=NNCCN1CCCCC1 ZINC000800810405 630407204 /nfs/dbraw/zinc/40/72/04/630407204.db2.gz MOUJXQJVJUNPGV-CQSZACIVSA-N 0 1 269.408 2.968 20 30 CFEDMN C[C@@H](C#N)OCCN[C@@H](c1ccccc1)c1ccccn1 ZINC000801929448 630489946 /nfs/dbraw/zinc/48/99/46/630489946.db2.gz NYCCBSCJYOKKEX-YOEHRIQHSA-N 0 1 281.359 2.689 20 30 CFEDMN C[C@@H](C#N)OCCN1CCC[C@@H]1CC(=O)c1cccs1 ZINC000801933581 630490859 /nfs/dbraw/zinc/49/08/59/630490859.db2.gz AHRKYUVOEYHXHY-QWHCGFSZSA-N 0 1 292.404 2.714 20 30 CFEDMN CCCOc1ccc2c(c1)CCN(CCO[C@H](C)C#N)C2 ZINC000801935394 630491512 /nfs/dbraw/zinc/49/15/12/630491512.db2.gz YSSBHPCZNYGQJE-CQSZACIVSA-N 0 1 288.391 2.762 20 30 CFEDMN CCCOc1ccc2c(c1)CCN(CCO[C@@H](C)C#N)C2 ZINC000801935391 630491676 /nfs/dbraw/zinc/49/16/76/630491676.db2.gz YSSBHPCZNYGQJE-AWEZNQCLSA-N 0 1 288.391 2.762 20 30 CFEDMN Cc1oc(C(C)C)nc1C(=O)Nc1cc(C#N)ccc1O ZINC000802892108 630560674 /nfs/dbraw/zinc/56/06/74/630560674.db2.gz ZNHGOOJMWBUTME-UHFFFAOYSA-N 0 1 285.303 2.936 20 30 CFEDMN CC(C)[C@H](C(=O)OCC#Cc1cccc(Cl)c1)N(C)C ZINC000803492307 630623045 /nfs/dbraw/zinc/62/30/45/630623045.db2.gz CCAZAKJCWVJYIA-OAHLLOKOSA-N 0 1 293.794 2.821 20 30 CFEDMN C=CCCCCCN(C)CN1CCN(CC=C)C1=O ZINC000840008591 630630178 /nfs/dbraw/zinc/63/01/78/630630178.db2.gz VUPVFOCMCDZMMG-UHFFFAOYSA-N 0 1 265.401 2.546 20 30 CFEDMN Cc1cc(NCc2n[nH]c(-c3ccccc3)n2)cc(C#N)n1 ZINC000804402613 630679741 /nfs/dbraw/zinc/67/97/41/630679741.db2.gz KABHQAUHABWICO-UHFFFAOYSA-N 0 1 290.330 2.659 20 30 CFEDMN Cc1cc(NCc2nc(-c3ccccc3)n[nH]2)cc(C#N)n1 ZINC000804402613 630679744 /nfs/dbraw/zinc/67/97/44/630679744.db2.gz KABHQAUHABWICO-UHFFFAOYSA-N 0 1 290.330 2.659 20 30 CFEDMN C#Cc1cccc(NC(=O)N2CCN(CC)C[C@H]2CC)c1 ZINC000836252955 630780472 /nfs/dbraw/zinc/78/04/72/630780472.db2.gz CUXSHYWOEDRRQC-MRXNPFEDSA-N 0 1 285.391 2.616 20 30 CFEDMN N#CCCCCCC(=O)Nc1nc(-c2cccs2)n[nH]1 ZINC000806452622 630802967 /nfs/dbraw/zinc/80/29/67/630802967.db2.gz AFSCRIBUHHDWDV-UHFFFAOYSA-N 0 1 289.364 2.946 20 30 CFEDMN C#C[C@@H](NC(=O)c1ccc(CN(CC)CC)o1)C(C)(C)C ZINC000807877956 630916781 /nfs/dbraw/zinc/91/67/81/630916781.db2.gz BQAKXPCKZYBKIK-OAHLLOKOSA-N 0 1 290.407 2.899 20 30 CFEDMN C#C[C@@H](NC(=O)[C@@H]1CCCN1Cc1ccccc1)C(C)(C)C ZINC000807882738 630919002 /nfs/dbraw/zinc/91/90/02/630919002.db2.gz ZAUYWVLLZLWXLF-DLBZAZTESA-N 0 1 298.430 2.815 20 30 CFEDMN COCCOCc1ccc(C=NNc2ccc(C)cn2)cc1 ZINC000807968922 630927890 /nfs/dbraw/zinc/92/78/90/630927890.db2.gz FRGLVEBYTASPHV-UHFFFAOYSA-N 0 1 299.374 2.999 20 30 CFEDMN C[C@@H]1CC(N=Nc2ccnc(N(C)C)n2)c2ccccc21 ZINC000807972938 630928227 /nfs/dbraw/zinc/92/82/27/630928227.db2.gz XGWFXKIRNYKBIM-LLVKDONJSA-N 0 1 281.363 2.866 20 30 CFEDMN CCCN(CCC)c1ccc(C=[NH+][N-]c2ncn[nH]2)cc1 ZINC000807996952 630934705 /nfs/dbraw/zinc/93/47/05/630934705.db2.gz OBAYGQQQALALGJ-UHFFFAOYSA-N 0 1 286.383 2.877 20 30 CFEDMN C[C@H](CNC(=O)C#CC(C)(C)C)N1CCc2ccccc2C1 ZINC000837333054 631002157 /nfs/dbraw/zinc/00/21/57/631002157.db2.gz WCNLQQGFNWQOGI-OAHLLOKOSA-N 0 1 298.430 2.599 20 30 CFEDMN CN(C)[C@H](CNC(=O)C#CC(C)(C)C)c1ccc(F)cc1 ZINC000837352081 631010161 /nfs/dbraw/zinc/01/01/61/631010161.db2.gz HYTLLPJIFBIVSN-OAHLLOKOSA-N 0 1 290.382 2.594 20 30 CFEDMN O=C(C#CC1CC1)Nc1cc(F)cc(Cl)c1O ZINC000837536633 631059129 /nfs/dbraw/zinc/05/91/29/631059129.db2.gz AOIDPQFSPLVNFC-UHFFFAOYSA-N 0 1 253.660 2.537 20 30 CFEDMN CC(C)(C)C#CC(=O)NCCN1CC=C(C(C)(C)C)CC1 ZINC000837538313 631060257 /nfs/dbraw/zinc/06/02/57/631060257.db2.gz BXYBHFJWBPNELK-UHFFFAOYSA-N 0 1 290.451 2.830 20 30 CFEDMN C=C(C)C[C@H](C)C(=O)OCc1cc(O)ccc1[N+](=O)[O-] ZINC000837641025 631094349 /nfs/dbraw/zinc/09/43/49/631094349.db2.gz UENFRZURNLFASJ-JTQLQIEISA-N 0 1 279.292 2.946 20 30 CFEDMN N#CCCCCCC(=O)OCc1cc(O)ccc1[N+](=O)[O-] ZINC000837730867 631117965 /nfs/dbraw/zinc/11/79/65/631117965.db2.gz WSGBYTKVHXTSTH-UHFFFAOYSA-N 0 1 292.291 2.818 20 30 CFEDMN C#CCCCc1nc(-c2ccc(F)c(CN(C)C)c2)no1 ZINC000809406859 631223067 /nfs/dbraw/zinc/22/30/67/631223067.db2.gz GBLDIWLMRXAPSW-UHFFFAOYSA-N 0 1 287.338 2.893 20 30 CFEDMN C[C@@H](c1ccc(Cl)cc1)N(C)C[C@H](O)CC#N ZINC000809571533 631237990 /nfs/dbraw/zinc/23/79/90/631237990.db2.gz VKDPZXQHITTWHQ-GXFFZTMASA-N 0 1 252.745 2.607 20 30 CFEDMN C#Cc1ccc(CN(C)Cc2cnn(CC)c2)cc1 ZINC000809576109 631238983 /nfs/dbraw/zinc/23/89/83/631238983.db2.gz IRMZSQWYCHQBMM-UHFFFAOYSA-N 0 1 253.349 2.516 20 30 CFEDMN C#Cc1ccc(CNCc2ccc(OC)cc2OC)cc1 ZINC000809608267 631246183 /nfs/dbraw/zinc/24/61/83/631246183.db2.gz OYGXDFGUPKVXCX-UHFFFAOYSA-N 0 1 281.355 2.975 20 30 CFEDMN C#CCOc1ccc(CNc2nccn2C2CC2)cc1 ZINC000840886801 631252272 /nfs/dbraw/zinc/25/22/72/631252272.db2.gz DIOXAXMIHLEVLY-UHFFFAOYSA-N 0 1 267.332 2.842 20 30 CFEDMN C#Cc1ccc(CNCc2nc3ccccc3n2C)cc1 ZINC000809638512 631252682 /nfs/dbraw/zinc/25/26/82/631252682.db2.gz ASWLLKWUXYMMOU-UHFFFAOYSA-N 0 1 275.355 2.844 20 30 CFEDMN C#Cc1ccc(CN[C@H](CO)c2ccsc2)cc1 ZINC000809644812 631254715 /nfs/dbraw/zinc/25/47/15/631254715.db2.gz XERAOJMPKBIREH-OAHLLOKOSA-N 0 1 257.358 2.553 20 30 CFEDMN C#C[C@H](C)NCc1cccc(OCC)c1OC(F)F ZINC000809682865 631260564 /nfs/dbraw/zinc/26/05/64/631260564.db2.gz GNWXNLUWCZKYJI-JTQLQIEISA-N 0 1 269.291 2.798 20 30 CFEDMN C#C[C@H](CC)NCc1cc2ccccc2nc1OC ZINC000809686346 631262354 /nfs/dbraw/zinc/26/23/54/631262354.db2.gz MQRLFLBEHOAHIJ-CQSZACIVSA-N 0 1 254.333 2.745 20 30 CFEDMN C#CCCCS(=O)(=O)Nc1cc(C2CCCCC2)[nH]n1 ZINC000840949131 631276456 /nfs/dbraw/zinc/27/64/56/631276456.db2.gz QVXXJNBUCHPBIG-UHFFFAOYSA-N 0 1 295.408 2.613 20 30 CFEDMN C#C[C@H](NCc1cc(C(=O)OC)c(CC)o1)C(C)(C)C ZINC000809782132 631288274 /nfs/dbraw/zinc/28/82/74/631288274.db2.gz ITPRVIHPMSNEGD-AWEZNQCLSA-N 0 1 277.364 2.766 20 30 CFEDMN C[C@H](Cc1cccc(F)c1)NCc1nc(C#N)cs1 ZINC000810145913 631334245 /nfs/dbraw/zinc/33/42/45/631334245.db2.gz JGCKWPVSBYYYCE-SNVBAGLBSA-N 0 1 275.352 2.875 20 30 CFEDMN CC(CCCCC#N)=NNCCN1CCCCC1 ZINC000841619050 631433348 /nfs/dbraw/zinc/43/33/48/631433348.db2.gz JCSFYXUIKMQDOX-UHFFFAOYSA-N 0 1 250.390 2.522 20 30 CFEDMN Cn1c2ccccc2nc1NN=Cc1cnc(C2CC2)nc1 ZINC000841619041 631433562 /nfs/dbraw/zinc/43/35/62/631433562.db2.gz ITWSRSQZKGKXBV-UHFFFAOYSA-N 0 1 292.346 2.687 20 30 CFEDMN CCCCCCOc1cccc(C=NNC2=NCCN2)c1 ZINC000841658453 631445195 /nfs/dbraw/zinc/44/51/95/631445195.db2.gz BGPWDLJKWSWSLA-UHFFFAOYSA-N 0 1 288.395 2.528 20 30 CFEDMN CC(C)(C)C#CCOC(=O)[C@@]1(F)CCN(C(C)(C)C)C1 ZINC000810833123 631451245 /nfs/dbraw/zinc/45/12/45/631451245.db2.gz FIAXDSGUBMSGCP-MRXNPFEDSA-N 0 1 283.387 2.792 20 30 CFEDMN CC[C@H](Cn1[nH]c(C(C)(C)C)c(CCC#N)c1=O)OC ZINC000842034863 631508605 /nfs/dbraw/zinc/50/86/05/631508605.db2.gz YUAIAPJVNYUKSQ-LLVKDONJSA-N 0 1 279.384 2.767 20 30 CFEDMN C#C[C@@H](C)N(C)Cc1cc(O)cc(C(F)(F)F)c1 ZINC000811496210 631571731 /nfs/dbraw/zinc/57/17/31/631571731.db2.gz SLJFUHXHDFMHEU-SECBINFHSA-N 0 1 257.255 2.865 20 30 CFEDMN C#C[C@H](NCc1[nH]ncc1C)c1ccc(Cl)cc1 ZINC000811517055 631576088 /nfs/dbraw/zinc/57/60/88/631576088.db2.gz GZUIVAIMRQHFMO-ZDUSSCGKSA-N 0 1 259.740 2.836 20 30 CFEDMN CC[C@H](CC1CCCC1)C(=O)C(C#N)C(=O)N1CCCC1 ZINC000842285073 631578884 /nfs/dbraw/zinc/57/88/84/631578884.db2.gz MUMUGRMVRZGJCI-CABCVRRESA-N 0 1 290.407 2.924 20 30 CFEDMN C=CCCCCCCCNC(=O)c1n[nH]cc1[N+](=O)[O-] ZINC000811590300 631583263 /nfs/dbraw/zinc/58/32/63/631583263.db2.gz WQUJDQSAVLWIQS-UHFFFAOYSA-N 0 1 280.328 2.574 20 30 CFEDMN COc1ccc(N=NC2CCc3ccc(C#N)cc32)nc1 ZINC000811648819 631592568 /nfs/dbraw/zinc/59/25/68/631592568.db2.gz RELSDFQVBSXZPD-UHFFFAOYSA-N 0 1 278.315 2.724 20 30 CFEDMN Cl/C=C/CON=Cc1cc(-c2cccnc2)[nH]n1 ZINC000811670011 631603931 /nfs/dbraw/zinc/60/39/31/631603931.db2.gz MDDYYFVQSLHBOT-YXUJRQQPSA-N 0 1 262.700 2.575 20 30 CFEDMN COC(=O)c1cc(/C=C\C(=O)c2ccc(C)cc2O)cn1C ZINC000811692358 631607365 /nfs/dbraw/zinc/60/73/65/631607365.db2.gz FABOWYHHZLQACO-ALCCZGGFSA-N 0 1 299.326 2.722 20 30 CFEDMN CC(C)CC(=NNc1nccn1C)c1ccncc1 ZINC000842532284 631654267 /nfs/dbraw/zinc/65/42/67/631654267.db2.gz SRPZLLKZBHBNPQ-UHFFFAOYSA-N 0 1 257.341 2.677 20 30 CFEDMN CC(C)CC(=N[N-]c1[nH+]ccn1C)c1ccncc1 ZINC000842532284 631654270 /nfs/dbraw/zinc/65/42/70/631654270.db2.gz SRPZLLKZBHBNPQ-UHFFFAOYSA-N 0 1 257.341 2.677 20 30 CFEDMN C#CCCOc1ccc(-c2nc(C3(N)CCCC3)no2)cc1 ZINC000842592364 631674446 /nfs/dbraw/zinc/67/44/46/631674446.db2.gz JOUQHTQUDTWWFQ-UHFFFAOYSA-N 0 1 297.358 2.867 20 30 CFEDMN CC(C)OCCON=Cc1cc(-c2ccccc2)[nH]n1 ZINC000812240181 631677009 /nfs/dbraw/zinc/67/70/09/631677009.db2.gz JNZRZNFSOGZFEL-UHFFFAOYSA-N 0 1 273.336 2.852 20 30 CFEDMN Cn1cc(/C=C\C(=O)c2ccccc2O)c(C(F)F)n1 ZINC000812243605 631678107 /nfs/dbraw/zinc/67/81/07/631678107.db2.gz PKBRCZUCBLHZTK-SREVYHEPSA-N 0 1 278.258 2.959 20 30 CFEDMN C#CC1CCN(Cn2nc(C)c3cc([N+](=O)[O-])ccc32)CC1 ZINC000842633679 631686660 /nfs/dbraw/zinc/68/66/60/631686660.db2.gz LUXKLPFQXUNYDF-UHFFFAOYSA-N 0 1 298.346 2.556 20 30 CFEDMN C#CCCOc1ccc(-c2nc([C@H]3CCCN3)no2)cc1 ZINC000842637041 631688454 /nfs/dbraw/zinc/68/84/54/631688454.db2.gz PANLPKQXIAPBBJ-CQSZACIVSA-N 0 1 283.331 2.563 20 30 CFEDMN CC(C)Cn1nccc1CNCc1ccc(C#N)cc1 ZINC000842670680 631700804 /nfs/dbraw/zinc/70/08/04/631700804.db2.gz QSRNNOZSXGMQGT-UHFFFAOYSA-N 0 1 268.364 2.701 20 30 CFEDMN C[C@@H](O)c1ncc(CNCc2ccc(CC#N)cc2)s1 ZINC000842719711 631716366 /nfs/dbraw/zinc/71/63/66/631716366.db2.gz JMZQRSSKRWEEAC-LLVKDONJSA-N 0 1 287.388 2.552 20 30 CFEDMN C#CCC(CC#C)C(=O)Nc1cc(C(=O)CC)ccc1O ZINC000812703384 631761508 /nfs/dbraw/zinc/76/15/08/631761508.db2.gz BAMLANTUJKWVJX-UHFFFAOYSA-N 0 1 283.327 2.586 20 30 CFEDMN C=CCOc1ccccc1-c1nc([C@@H](N)C(C)C)no1 ZINC000843152997 631866445 /nfs/dbraw/zinc/86/64/45/631866445.db2.gz KFRMMNRWYACRHT-ZDUSSCGKSA-N 0 1 273.336 2.957 20 30 CFEDMN CCC[C@H](CC1CCCCC1)C(=O)N[C@H]1CNC[C@H]1C#N ZINC000843460104 631963957 /nfs/dbraw/zinc/96/39/57/631963957.db2.gz MEOMHTQTGAJRBI-OAGGEKHMSA-N 0 1 291.439 2.601 20 30 CFEDMN CCCCCC[C@](C)(CC)C(=O)N[C@H]1CNC[C@@H]1C#N ZINC000843460831 631964002 /nfs/dbraw/zinc/96/40/02/631964002.db2.gz QXRCBFOREUNGTF-DZKIICNBSA-N 0 1 279.428 2.601 20 30 CFEDMN C=CCC(C)(C)COC(=O)CCCCc1cn[nH]n1 ZINC000814004801 631991586 /nfs/dbraw/zinc/99/15/86/631991586.db2.gz BYVSUTAFSQZFSO-UHFFFAOYSA-N 0 1 265.357 2.663 20 30 CFEDMN FC(F)Cn1cc(C=NNc2cc(Cl)ccn2)cn1 ZINC000814224954 632040630 /nfs/dbraw/zinc/04/06/30/632040630.db2.gz CLYKKPYCRZDIFT-UHFFFAOYSA-N 0 1 285.685 2.643 20 30 CFEDMN CC(=NOCC1CC1)c1ccc(N2CCOCC2)cc1 ZINC000814243068 632044005 /nfs/dbraw/zinc/04/40/05/632044005.db2.gz DDZVKUKABJZDKW-UHFFFAOYSA-N 0 1 274.364 2.674 20 30 CFEDMN CCCN(C(=O)C#Cc1ccc(CC)cc1)[C@H]1CCN(C)C1 ZINC000843987371 632088196 /nfs/dbraw/zinc/08/81/96/632088196.db2.gz FAHMEUYYCFBXDZ-SFHVURJKSA-N 0 1 298.430 2.543 20 30 CFEDMN C#CCN(Cc1n[nH]c(C(C)(C)C)n1)Cc1ccccc1 ZINC000814636977 632101622 /nfs/dbraw/zinc/10/16/22/632101622.db2.gz NHPQVORUZVKOOY-UHFFFAOYSA-N 0 1 282.391 2.738 20 30 CFEDMN CC(C)c1cnc(C=NNCCN2CCCCC2)s1 ZINC000814808106 632128994 /nfs/dbraw/zinc/12/89/94/632128994.db2.gz BZFCYJMBKZXHKR-UHFFFAOYSA-N 0 1 280.441 2.676 20 30 CFEDMN C(CN1CCCCC1)NN=C1CCCC[C@H]1[C@@H]1CCOC1 ZINC000814809002 632129620 /nfs/dbraw/zinc/12/96/20/632129620.db2.gz WMMITDRCNVJNMH-CVEARBPZSA-N 0 1 293.455 2.645 20 30 CFEDMN CC(C)[C@@H]1CC(=NNCCN2CCCCC2)CS1 ZINC000814809114 632130263 /nfs/dbraw/zinc/13/02/63/632130263.db2.gz YQJKQMKDQAMTKQ-AWEZNQCLSA-N 0 1 269.458 2.579 20 30 CFEDMN CC(=NNc1ccc([N+](=O)[O-])cc1Cl)c1cc[nH]n1 ZINC000814832445 632134131 /nfs/dbraw/zinc/13/41/31/632134131.db2.gz FOFIOPYERLERIT-UHFFFAOYSA-N 0 1 279.687 2.807 20 30 CFEDMN Cc1c[nH]nc1CN=Nc1cc(F)c(F)cc1F ZINC000814851382 632138795 /nfs/dbraw/zinc/13/87/95/632138795.db2.gz LYPNTQQYWBIVCY-UHFFFAOYSA-N 0 1 254.215 2.581 20 30 CFEDMN COCC(=NNc1cccnn1)c1cccc(Cl)c1F ZINC000814854523 632139784 /nfs/dbraw/zinc/13/97/84/632139784.db2.gz ZMIJENGZWGIFNY-UHFFFAOYSA-N 0 1 294.717 2.732 20 30 CFEDMN COC(=O)c1ccc(CN=Nc2cccc(F)c2F)n1C ZINC000814858933 632140722 /nfs/dbraw/zinc/14/07/22/632140722.db2.gz HHBNKRLTRMWKRV-UHFFFAOYSA-N 0 1 293.273 2.536 20 30 CFEDMN C[C@@H](CC#N)NN=C1CC[C@@H]2CNc3cccc1c32 ZINC000814883095 632147355 /nfs/dbraw/zinc/14/73/55/632147355.db2.gz ADGVBSPZCIZKOO-WDEREUQCSA-N 0 1 254.337 2.585 20 30 CFEDMN CCC(N=Nc1ccnc(F)c1)c1ccc(F)cn1 ZINC000814902810 632156765 /nfs/dbraw/zinc/15/67/65/632156765.db2.gz WBHUYJQDCDYQNO-UHFFFAOYSA-N 0 1 262.263 2.981 20 30 CFEDMN CCOCCON=C1CC[C@H]2CNc3cccc1c32 ZINC000814907564 632158861 /nfs/dbraw/zinc/15/88/61/632158861.db2.gz OREFCUJKATZMKK-NSHDSACASA-N 0 1 260.337 2.747 20 30 CFEDMN COc1ccc(NN=C(C)c2ccc(C)nc2C)nc1 ZINC000814910347 632160838 /nfs/dbraw/zinc/16/08/38/632160838.db2.gz ZZMZAJDJPPUMSE-UHFFFAOYSA-N 0 1 270.336 2.938 20 30 CFEDMN CCC(=NN[C@@H](CO)c1ccccc1)c1cccc(N)c1 ZINC000814919093 632164482 /nfs/dbraw/zinc/16/44/82/632164482.db2.gz GXPZEPJNCUURJU-KRWDZBQOSA-N 0 1 283.375 2.706 20 30 CFEDMN CCC(=NNCCc1ccncc1)c1cccc(N)c1 ZINC000814925111 632166897 /nfs/dbraw/zinc/16/68/97/632166897.db2.gz RBUFKFIHEATXNB-UHFFFAOYSA-N 0 1 268.364 2.610 20 30 CFEDMN Nc1ccc2c(c1)C(=NNCCc1ccncc1)CCC2 ZINC000814924823 632167023 /nfs/dbraw/zinc/16/70/23/632167023.db2.gz CZYVYSHQJCHIJB-UHFFFAOYSA-N 0 1 280.375 2.537 20 30 CFEDMN c1cc2c3c(c1)C(=NN[C@@H]1CCSC1)CC[C@@H]3CN2 ZINC000814933035 632170943 /nfs/dbraw/zinc/17/09/43/632170943.db2.gz BRPFMHWVKHTUEF-GHMZBOCLSA-N 0 1 273.405 2.789 20 30 CFEDMN CC(=NNc1ccc(F)c(F)c1F)c1cc(C)n(C)n1 ZINC000814946037 632178154 /nfs/dbraw/zinc/17/81/54/632178154.db2.gz CKMDUFNHRSOMRD-UHFFFAOYSA-N 0 1 282.269 2.982 20 30 CFEDMN CN(C[C@H](O)c1cccc(C#N)c1)C[C@H]1CC1(Cl)Cl ZINC000844366477 632181690 /nfs/dbraw/zinc/18/16/90/632181690.db2.gz PKOHRHWMJAKPPG-OLZOCXBDSA-N 0 1 299.201 2.717 20 30 CFEDMN CCOc1cccc2cc(C(C)N=Nc3cnnn3C)oc21 ZINC000814981320 632183949 /nfs/dbraw/zinc/18/39/49/632183949.db2.gz CCZBTTINOCZBMB-UHFFFAOYSA-N 0 1 299.334 2.796 20 30 CFEDMN Cn1nncc1NN=Cc1ccc(C2CCCC2)cc1 ZINC000814980108 632184132 /nfs/dbraw/zinc/18/41/32/632184132.db2.gz ZGACYLGPLSLJGB-UHFFFAOYSA-N 0 1 269.352 2.919 20 30 CFEDMN CC[C@@H]1COC(C)(C)CN1Cc1ccc(OCC#N)cc1 ZINC000844387859 632191045 /nfs/dbraw/zinc/19/10/45/632191045.db2.gz UVKVUSXXJWWUGC-OAHLLOKOSA-N 0 1 288.391 2.978 20 30 CFEDMN C[C@H](NCCOCCC#N)c1nc2ccccc2s1 ZINC000815090604 632199471 /nfs/dbraw/zinc/19/94/71/632199471.db2.gz WJHOVBVUWGBBGE-NSHDSACASA-N 0 1 275.377 2.877 20 30 CFEDMN COC(=O)Cc1ccc(NNC(C)=C2CC2(F)F)cc1 ZINC000844605898 632262116 /nfs/dbraw/zinc/26/21/16/632262116.db2.gz LJEVDVFSEYGLHP-GFCCVEGCSA-N 0 1 282.290 2.845 20 30 CFEDMN Cc1c(N=NC2C[N@@H+](C3CC3)C[C@H]2C)cccc1C(=O)[O-] ZINC000844623026 632266965 /nfs/dbraw/zinc/26/69/65/632266965.db2.gz GYSMABBNIAMNFT-SNVBAGLBSA-N 0 1 287.363 2.575 20 30 CFEDMN CC[N@H+]1CCC(N=Nc2cccc(C(=O)[O-])c2C)[C@@H](C)C1 ZINC000844624524 632267631 /nfs/dbraw/zinc/26/76/31/632267631.db2.gz QTAKUNCVBSJBFF-NSHDSACASA-N 0 1 289.379 2.823 20 30 CFEDMN CCc1ccc(C#CC(=O)Nc2ccc3[nH]nnc3c2)cc1 ZINC000815757362 632318760 /nfs/dbraw/zinc/31/87/60/632318760.db2.gz HJVBGIRCXWGQFF-UHFFFAOYSA-N 0 1 290.326 2.511 20 30 CFEDMN Cc1nc(C(C)C)oc1C(=O)Nc1cc(C#N)ccc1O ZINC000815877657 632327889 /nfs/dbraw/zinc/32/78/89/632327889.db2.gz ASBGWNHWQMSZIS-UHFFFAOYSA-N 0 1 285.303 2.936 20 30 CFEDMN CCCCCNC(=O)C(C#N)C(=O)[C@H]1CC[C@H](C)CC1 ZINC000845444201 632435918 /nfs/dbraw/zinc/43/59/18/632435918.db2.gz MLOKBQBUORDPBU-IHRRRGAJSA-N 0 1 278.396 2.828 20 30 CFEDMN N#CC(C(=O)[C@@H]1C[C@@H]2C=C[C@H]1CC2)c1ccccn1 ZINC000845440037 632435985 /nfs/dbraw/zinc/43/59/85/632435985.db2.gz CHSQEXGWLBTLLA-XJFOESAGSA-N 0 1 252.317 2.860 20 30 CFEDMN CCCCCNC(=O)C(C#N)C(=O)[C@H]1CC[C@H](C)CC1 ZINC000845444202 632436108 /nfs/dbraw/zinc/43/61/08/632436108.db2.gz MLOKBQBUORDPBU-MGPQQGTHSA-N 0 1 278.396 2.828 20 30 CFEDMN C[C@H]1CC[C@H](C(=O)C(C#N)C(=O)NCc2ccccc2)CC1 ZINC000845440557 632436497 /nfs/dbraw/zinc/43/64/97/632436497.db2.gz HIDVQFHEWVNXOY-FVQBIDKESA-N 0 1 298.386 2.838 20 30 CFEDMN C=CCC(F)(F)C(=O)Nc1nc2ccc(F)cc2[nH]1 ZINC000816513965 632475019 /nfs/dbraw/zinc/47/50/19/632475019.db2.gz IMEWANDGJDEFLV-UHFFFAOYSA-N 0 1 269.226 2.852 20 30 CFEDMN C#Cc1cccc(NC(=O)[C@@H]2C[C@H](C)Cc3cn[nH]c32)c1 ZINC000816838438 632528689 /nfs/dbraw/zinc/52/86/89/632528689.db2.gz BGHCYAYYQVSNSS-IAQYHMDHSA-N 0 1 279.343 2.696 20 30 CFEDMN CCO[C@@H](CC)C(O)=C(C#N)C(=O)C1(c2ccccc2)CC1 ZINC000845840033 632578272 /nfs/dbraw/zinc/57/82/72/632578272.db2.gz YNAYKZHJOBVVQO-CABCVRRESA-N 0 1 299.370 2.811 20 30 CFEDMN CC(C)(C#N)CC(=O)C(C#N)=C(O)C1(c2ccccc2)CC1 ZINC000845846225 632579300 /nfs/dbraw/zinc/57/93/00/632579300.db2.gz SOACGUFPNIAQIY-AWEZNQCLSA-N 0 1 294.354 2.936 20 30 CFEDMN N#CC(C(=O)Cc1ccoc1)=C(O)C1(c2ccccc2)CC1 ZINC000845847080 632579352 /nfs/dbraw/zinc/57/93/52/632579352.db2.gz XZQOZQNRIZPACT-OAHLLOKOSA-N 0 1 293.322 2.832 20 30 CFEDMN N#CC(C(=O)[C@H]1CC12CC2)=C(O)C1(c2ccccc2)CC1 ZINC000845844863 632579381 /nfs/dbraw/zinc/57/93/81/632579381.db2.gz UUIWTNZWBMTQFJ-UONOGXRCSA-N 0 1 279.339 2.796 20 30 CFEDMN N#CC(C(=O)Cc1ccoc1)=C(O)C1(c2ccccc2)CC1 ZINC000845847079 632579390 /nfs/dbraw/zinc/57/93/90/632579390.db2.gz XZQOZQNRIZPACT-HNNXBMFYSA-N 0 1 293.322 2.832 20 30 CFEDMN C=C(C)CC[C@H](C)OC(=O)C(C)(C)NC(=O)C(F)(F)F ZINC000845866888 632586575 /nfs/dbraw/zinc/58/65/75/632586575.db2.gz QHLJBSQCXREKNG-VIFPVBQESA-N 0 1 295.301 2.732 20 30 CFEDMN N#Cc1ccc(O)c(NC(=O)[C@@H]2C[C@H]2C2CCC2)c1 ZINC000845887879 632591747 /nfs/dbraw/zinc/59/17/47/632591747.db2.gz QCQOOLLNIPKBND-NWDGAFQWSA-N 0 1 256.305 2.639 20 30 CFEDMN CCN(CC)c1ccc(C=NN[C@@H]2CCC[C@H]2O)cc1F ZINC000817333969 632606813 /nfs/dbraw/zinc/60/68/13/632606813.db2.gz ZTTPHWRFIWXCLH-GDBMZVCRSA-N 0 1 293.386 2.509 20 30 CFEDMN C#C[C@@H](NCc1cc(F)c(OC)cc1OC)C(C)(C)C ZINC000845971883 632607219 /nfs/dbraw/zinc/60/72/19/632607219.db2.gz GGKNIBQDLPUIPZ-OAHLLOKOSA-N 0 1 279.355 2.980 20 30 CFEDMN C=C[C@H](C)ONC(=O)[C@@H]1CCSc2ccccc21 ZINC000846545849 632733693 /nfs/dbraw/zinc/73/36/93/632733693.db2.gz JAOGYYAFKROVNM-CMPLNLGQSA-N 0 1 263.362 2.888 20 30 CFEDMN C=C[C@H](C)ONC(=O)[C@H]1CCCc2sccc21 ZINC000846547705 632736248 /nfs/dbraw/zinc/73/62/48/632736248.db2.gz LUCIOAIAUDAKPZ-ONGXEEELSA-N 0 1 251.351 2.790 20 30 CFEDMN C=C[C@H](C)ONC(=O)[C@@H](C)[C@@H]1OCCc2sccc21 ZINC000846552442 632739487 /nfs/dbraw/zinc/73/94/87/632739487.db2.gz HSPBQZWPHKNMAF-KWBADKCTSA-N 0 1 281.377 2.620 20 30 CFEDMN C=C[C@H](C)O[N-]C(=O)C[N@@H+](CC)Cc1ccccc1Cl ZINC000846552887 632740526 /nfs/dbraw/zinc/74/05/26/632740526.db2.gz SDAMXZDWAJLMJV-LBPRGKRZSA-N 0 1 296.798 2.784 20 30 CFEDMN C=C[C@H](C)O[N-]C(=O)C[N@H+](CC)Cc1ccccc1Cl ZINC000846552887 632740529 /nfs/dbraw/zinc/74/05/29/632740529.db2.gz SDAMXZDWAJLMJV-LBPRGKRZSA-N 0 1 296.798 2.784 20 30 CFEDMN CCCCCCCC(=O)N1C[C@@H](C)N(C)[C@@H](C)C1 ZINC000818615510 632880344 /nfs/dbraw/zinc/88/03/44/632880344.db2.gz NPFHOEMYRZKOAG-OKILXGFUSA-N 0 1 254.418 2.898 20 30 CFEDMN C#C[C@@H]1CCCN(CC(=O)N(CC)C2CCCCC2)C1 ZINC000847030316 632893675 /nfs/dbraw/zinc/89/36/75/632893675.db2.gz PZUVEIZOXKUMEY-OAHLLOKOSA-N 0 1 276.424 2.513 20 30 CFEDMN Cc1ccc(N2CCC[C@H](NC[C@@H](C#N)CCC#N)C2)cc1 ZINC000819114799 632970064 /nfs/dbraw/zinc/97/00/64/632970064.db2.gz YEPSYZUJZRDVRK-SJORKVTESA-N 0 1 296.418 2.997 20 30 CFEDMN C#CCCCCCC(=O)OCc1cc(C2CC2)[nH]n1 ZINC000848011519 633185520 /nfs/dbraw/zinc/18/55/20/633185520.db2.gz JWEFLTLDCSPEKU-UHFFFAOYSA-N 0 1 260.337 2.914 20 30 CFEDMN N#Cc1c(F)cccc1C(=O)OCc1cc(C2CC2)[nH]n1 ZINC000848012380 633186420 /nfs/dbraw/zinc/18/64/20/633186420.db2.gz SYLSCONDPBVKON-UHFFFAOYSA-N 0 1 285.278 2.655 20 30 CFEDMN C=CCCCCCCNC(=O)[C@H](C)Cc1cnc[nH]1 ZINC000848071248 633199309 /nfs/dbraw/zinc/19/93/09/633199309.db2.gz NDAROBBDICHVCA-CYBMUJFWSA-N 0 1 263.385 2.841 20 30 CFEDMN C=C(C)CONC(=O)[C@H]1CCCc2ccc(OC)cc21 ZINC000848246211 633223693 /nfs/dbraw/zinc/22/36/93/633223693.db2.gz WKWNJVZPWJZWAR-AWEZNQCLSA-N 0 1 275.348 2.739 20 30 CFEDMN COc1ccc(CNN=C2CCCN3CCCC[C@H]23)cc1 ZINC000848403389 633249375 /nfs/dbraw/zinc/24/93/75/633249375.db2.gz RXCKDGNAIIZWBY-QGZVFWFLSA-N 0 1 287.407 2.789 20 30 CFEDMN C[C@H](NN=C1CCCN2CCCC[C@H]12)c1ccncc1 ZINC000848411959 633252739 /nfs/dbraw/zinc/25/27/39/633252739.db2.gz GJPITAAKOKCDAP-XJKSGUPXSA-N 0 1 272.396 2.737 20 30 CFEDMN C#C[C@@H]1CCCN(Cn2ccc(-c3ccc(C#N)cc3)n2)C1 ZINC000848493066 633266405 /nfs/dbraw/zinc/26/64/05/633266405.db2.gz IYERCMCYZASIKI-OAHLLOKOSA-N 0 1 290.370 2.724 20 30 CFEDMN CC(C)(C#N)c1ccc(CNC[C@H](O)C(F)(F)F)cc1 ZINC000848529494 633278387 /nfs/dbraw/zinc/27/83/87/633278387.db2.gz ODJFIWFCPMGAOR-LBPRGKRZSA-N 0 1 286.297 2.501 20 30 CFEDMN Cc1ncncc1[C@@H](C)NCc1ccc(OCC#N)cc1 ZINC000848534166 633280588 /nfs/dbraw/zinc/28/05/88/633280588.db2.gz NLANKNZPQKBVLD-GFCCVEGCSA-N 0 1 282.347 2.538 20 30 CFEDMN Cn1cncc1CNCc1ccc(C(C)(C)C#N)cc1 ZINC000848552881 633287558 /nfs/dbraw/zinc/28/75/58/633287558.db2.gz PECLRJVKIVPYRN-UHFFFAOYSA-N 0 1 268.364 2.511 20 30 CFEDMN C#CCOc1ccc(CN[C@H](C)c2cncnc2C)cc1 ZINC000848554259 633288144 /nfs/dbraw/zinc/28/81/44/633288144.db2.gz RVFDQIKXIOSUIX-CYBMUJFWSA-N 0 1 281.359 2.648 20 30 CFEDMN O=C(/C=C/c1cn(C2CCC2)nn1)c1ccccc1O ZINC000849246837 633589833 /nfs/dbraw/zinc/58/98/33/633589833.db2.gz LTDZHFRDMWGHHP-CMDGGOBGSA-N 0 1 269.304 2.605 20 30 CFEDMN Cn1ncc(C2CC2)c1/C=C\C(=O)c1ccc(O)cc1O ZINC000849247412 633589883 /nfs/dbraw/zinc/58/98/83/633589883.db2.gz SLYAPQLOQBNYLP-SREVYHEPSA-N 0 1 284.315 2.605 20 30 CFEDMN Cn1ncc(C2CCC2)c1CNCC#Cc1ccccc1 ZINC000850144339 633854781 /nfs/dbraw/zinc/85/47/81/633854781.db2.gz MGRPCDJVTNNLDW-UHFFFAOYSA-N 0 1 279.387 2.829 20 30 CFEDMN C#CC[C@H](NCc1cnn2c1CCC2)c1ccccc1 ZINC000850226853 633902639 /nfs/dbraw/zinc/90/26/39/633902639.db2.gz SYSXBDRQGVFGCZ-INIZCTEOSA-N 0 1 265.360 2.684 20 30 CFEDMN C=CCN1CC[C@H](NC(=O)c2cscc2C(F)F)C1 ZINC001014477544 651186251 /nfs/dbraw/zinc/18/62/51/651186251.db2.gz KEPXUXHFBWGRNA-VIFPVBQESA-N 0 1 286.347 2.676 20 30 CFEDMN COc1ccc(CN[C@@H]2C[C@H](O)c3ccccc32)cc1C#N ZINC000850369887 633959824 /nfs/dbraw/zinc/95/98/24/633959824.db2.gz CBBXVFKNWBPXIQ-SJORKVTESA-N 0 1 294.354 2.835 20 30 CFEDMN CCCCCNC(=O)C(C#N)C(=O)C1CCC2(CC2)CC1 ZINC000850752585 634079429 /nfs/dbraw/zinc/07/94/29/634079429.db2.gz QLOFMWPUMOQKDF-AWEZNQCLSA-N 0 1 290.407 2.972 20 30 CFEDMN CO[C@@H](C(=O)[C@H](C#N)c1nc2cccc(C)c2[nH]1)C1CCC1 ZINC000850849436 634110067 /nfs/dbraw/zinc/11/00/67/634110067.db2.gz BJXQILHRAQTLAG-BLLLJJGKSA-N 0 1 297.358 2.863 20 30 CFEDMN N#C[C@@H](C(=O)[C@H]1CCCC2(CC2)C1)c1ccncn1 ZINC000850947694 634149052 /nfs/dbraw/zinc/14/90/52/634149052.db2.gz JNGXAPIMPOAJHL-NWDGAFQWSA-N 0 1 255.321 2.623 20 30 CFEDMN CCOC1(C(=O)C(C#N)c2cnc3ccccc3n2)CCC1 ZINC000850987321 634168459 /nfs/dbraw/zinc/16/84/59/634168459.db2.gz ZUVDKQOZWHTTKZ-LBPRGKRZSA-N 0 1 295.342 2.765 20 30 CFEDMN C[C@H]1CN=C(NN=Cc2cccc(C3CCCC3)c2)N1 ZINC000853329688 634970676 /nfs/dbraw/zinc/97/06/76/634970676.db2.gz CNGVRMBIUOZSAI-LBPRGKRZSA-N 0 1 270.380 2.615 20 30 CFEDMN C=CC1CC[NH+](Cc2cc(=O)oc3cc([O-])ccc23)CC1 ZINC000111259763 634983818 /nfs/dbraw/zinc/98/38/18/634983818.db2.gz IEAWDSRWJIBNMY-UHFFFAOYSA-N 0 1 285.343 2.897 20 30 CFEDMN C[C@H]1CN(C2CC2)CC1N=Nc1ccc([N+](=O)[O-])cc1F ZINC000853397026 634993839 /nfs/dbraw/zinc/99/38/39/634993839.db2.gz TYBPSXXSZWKZOP-VIFPVBQESA-N 0 1 292.314 2.616 20 30 CFEDMN CC(=NNc1nnc(C)n1C)c1ccc(F)cc1Cl ZINC000853434896 634998494 /nfs/dbraw/zinc/99/84/94/634998494.db2.gz DCUWRBOTXRDACH-UHFFFAOYSA-N 0 1 281.722 2.752 20 30 CFEDMN CC(C)n1cncc1C=NNc1ccc(Cl)cn1 ZINC000853436508 634999359 /nfs/dbraw/zinc/99/93/59/634999359.db2.gz YJBBPMTXCAZOMR-UHFFFAOYSA-N 0 1 263.732 2.958 20 30 CFEDMN C=CCN1CCN(CN(C)C[C@@H]2CCc3ccccc32)C1=O ZINC000853609469 635048576 /nfs/dbraw/zinc/04/85/76/635048576.db2.gz JHCZLLLBDBQTLR-INIZCTEOSA-N 0 1 299.418 2.529 20 30 CFEDMN C=C(Cl)CON=C(N)CN1[C@H](C)CCC[C@H]1C ZINC000853699548 635079815 /nfs/dbraw/zinc/07/98/15/635079815.db2.gz IAHYXYBWUMAVIT-GHMZBOCLSA-N 0 1 259.781 2.500 20 30 CFEDMN CC1(C)CC[C@H](CO)N(Cc2ccc(C#N)s2)C1 ZINC000856805315 635865525 /nfs/dbraw/zinc/86/55/25/635865525.db2.gz MWZFDGLZYFZZNX-LLVKDONJSA-N 0 1 264.394 2.603 20 30 CFEDMN O=c1nc(NN=C[C@@H]2CCCOCC2)[nH]c2ccccc12 ZINC000857208747 635947148 /nfs/dbraw/zinc/94/71/48/635947148.db2.gz GZJSMJBJSHSOJZ-LLVKDONJSA-N 0 1 286.335 2.550 20 30 CFEDMN O=c1[nH]c(N=NC[C@@H]2CCCOCC2)nc2ccccc21 ZINC000857208747 635947149 /nfs/dbraw/zinc/94/71/49/635947149.db2.gz GZJSMJBJSHSOJZ-LLVKDONJSA-N 0 1 286.335 2.550 20 30 CFEDMN CCCc1ccc(C=NNC2=N[C@H]3CCCC[C@@H]3N2)s1 ZINC000857212180 635947879 /nfs/dbraw/zinc/94/78/79/635947879.db2.gz VKUZSEUYYCDEJI-KBPBESRZSA-N 0 1 290.436 2.895 20 30 CFEDMN C#CC[C@H](CCOC)[NH2+]Cc1cc(Cl)ccc1[O-] ZINC000858333551 636193019 /nfs/dbraw/zinc/19/30/19/636193019.db2.gz JOKPGIYKJHXHEU-CYBMUJFWSA-N 0 1 267.756 2.564 20 30 CFEDMN C#CC[C@@H](CCOC)NCc1coc(-c2ccccc2)n1 ZINC000858333432 636193100 /nfs/dbraw/zinc/19/31/00/636193100.db2.gz GGULENLZQVBQEJ-HNNXBMFYSA-N 0 1 284.359 2.860 20 30 CFEDMN C=CC[C@H]1CC[C@H](NC(c2ccnn2C)c2ccnn2C)C1 ZINC000858585615 636300575 /nfs/dbraw/zinc/30/05/75/636300575.db2.gz LGZORGLSQQBPCD-KBPBESRZSA-N 0 1 299.422 2.577 20 30 CFEDMN C#CC[C@H](COC)Nc1ccnc2cc(F)ccc21 ZINC000858860519 636363063 /nfs/dbraw/zinc/36/30/63/636363063.db2.gz OKWKDYNLXUNJRN-GFCCVEGCSA-N 0 1 258.296 2.824 20 30 CFEDMN C#CC[C@H](COC)Nc1cc(C)nc2ccc(F)cc21 ZINC000858860521 636363098 /nfs/dbraw/zinc/36/30/98/636363098.db2.gz OMEDOTMEPYEKBM-CYBMUJFWSA-N 0 1 272.323 2.554 20 30 CFEDMN C[C@H](NC[C@@H](O)CC1(C#N)CC1)c1c(F)cccc1F ZINC000859229586 636515653 /nfs/dbraw/zinc/51/56/53/636515653.db2.gz ZDZUQTMMWDBHHC-QWRGUYRKSA-N 0 1 280.318 2.670 20 30 CFEDMN C=C(Cl)CNC1(c2ccc(C#N)cc2)CCOCC1 ZINC000859883510 636736406 /nfs/dbraw/zinc/73/64/06/636736406.db2.gz XYTWBIUNMUZOQX-UHFFFAOYSA-N 0 1 276.767 2.906 20 30 CFEDMN CCC[C@@H](OCC)C(=O)C(C#N)c1nc(C)cs1 ZINC000860450373 636886876 /nfs/dbraw/zinc/88/68/76/636886876.db2.gz QQQOBGUZCPIAFP-GHMZBOCLSA-N 0 1 266.366 2.833 20 30 CFEDMN CCC[C@H](OCC)C(=O)C(C#N)c1nc(C)cs1 ZINC000860450375 636887285 /nfs/dbraw/zinc/88/72/85/636887285.db2.gz QQQOBGUZCPIAFP-QWRGUYRKSA-N 0 1 266.366 2.833 20 30 CFEDMN N#CC(C(=O)C12CC(C1)C2)c1nc2ccccc2[nH]1 ZINC000860450425 636887761 /nfs/dbraw/zinc/88/77/61/636887761.db2.gz SIBYLWAMKQAVRR-KGXJWFGYSA-N 0 1 251.289 2.539 20 30 CFEDMN Cc1cc(C(C#N)C(=O)[C@@H]2C[C@H]2c2ccco2)nc(C)n1 ZINC000860465105 636891581 /nfs/dbraw/zinc/89/15/81/636891581.db2.gz HAXNFNVRHSMMAD-JHJVBQTASA-N 0 1 281.315 2.666 20 30 CFEDMN CCCCCCNC(=O)[C@@H](C#N)C(=O)[C@H]1CCCC12CC2 ZINC000860463896 636891639 /nfs/dbraw/zinc/89/16/39/636891639.db2.gz JSIPPALXTCNTQK-UONOGXRCSA-N 0 1 290.407 2.972 20 30 CFEDMN N#CC(C(=O)Nc1ccccc1Cl)C(=O)C12CC(C1)C2 ZINC000860468473 636892013 /nfs/dbraw/zinc/89/20/13/636892013.db2.gz CPMBYOAQLAGDOU-KGXJWFGYSA-N 0 1 288.734 2.787 20 30 CFEDMN C=CC[C@@H]1CCCN(Cc2cn(C)nc2Br)C1 ZINC000862410451 637365185 /nfs/dbraw/zinc/36/51/85/637365185.db2.gz ZYDPXGVRYHOTEB-LLVKDONJSA-N 0 1 298.228 2.971 20 30 CFEDMN C#CC[C@@H]1CCN(Cc2c(Cl)nc3ccccn32)C1 ZINC000862442778 637382089 /nfs/dbraw/zinc/38/20/89/637382089.db2.gz HPZHEZDKZKSNCV-GFCCVEGCSA-N 0 1 273.767 2.833 20 30 CFEDMN C#CC[C@@H]1CC[N@H+](Cc2cc(Cl)cc([N+](=O)[O-])c2[O-])C1 ZINC000862445131 637384619 /nfs/dbraw/zinc/38/46/19/637384619.db2.gz MJINFCKUFQQVKD-SNVBAGLBSA-N 0 1 294.738 2.799 20 30 CFEDMN C=CCCC[C@H](C)NC(=O)Cc1n[nH]c2c1CCCC2 ZINC000188438641 650330359 /nfs/dbraw/zinc/33/03/59/650330359.db2.gz QZTYEXLLJHSHAF-LBPRGKRZSA-N 0 1 275.396 2.692 20 30 CFEDMN C#CC[C@@H]1CCN(Cc2cc(C)c(Br)cn2)C1 ZINC000862447557 637387004 /nfs/dbraw/zinc/38/70/04/637387004.db2.gz OAUXUCWGFRWSPY-GFCCVEGCSA-N 0 1 293.208 2.998 20 30 CFEDMN Cc1cc(=O)nc(NN=C[C@H]2CCc3ccccc3C2)[nH]1 ZINC000863062973 637546771 /nfs/dbraw/zinc/54/67/71/637546771.db2.gz KMFNMWJGTGLASU-LBPRGKRZSA-N 0 1 282.347 2.693 20 30 CFEDMN CC[C@H](C)c1ccc(C(C)=NNC2=NC[C@@H](C)N2)cc1 ZINC000863105253 637555532 /nfs/dbraw/zinc/55/55/32/637555532.db2.gz LCMULDUXADAUGC-NWDGAFQWSA-N 0 1 272.396 2.861 20 30 CFEDMN CCC(=NNCCc1ccccn1)c1ccc(N)cc1 ZINC000863110881 637559884 /nfs/dbraw/zinc/55/98/84/637559884.db2.gz FSXFRIIEWVNTAB-UHFFFAOYSA-N 0 1 268.364 2.610 20 30 CFEDMN Cc1cnccc1[N-][NH+]=Cc1ccc(N2CCCCC2)o1 ZINC000863157796 637571431 /nfs/dbraw/zinc/57/14/31/637571431.db2.gz UMTSFWJOZTXNAO-UHFFFAOYSA-N 0 1 284.363 2.841 20 30 CFEDMN CCOCc1cc(C=NNc2ccncc2C)ccc1OC ZINC000863157301 637571851 /nfs/dbraw/zinc/57/18/51/637571851.db2.gz KRNNHQQNZPLOIC-UHFFFAOYSA-N 0 1 299.374 2.803 20 30 CFEDMN CCc1oc(C=NNc2cccc(C)n2)cc1C(=O)OC ZINC000863159739 637573713 /nfs/dbraw/zinc/57/37/13/637573713.db2.gz CUUWDXPXFJAGIK-UHFFFAOYSA-N 0 1 287.319 2.778 20 30 CFEDMN C#CC[C@@H]1CCCN(CN2C[C@@H](c3ccccc3)OC2=O)C1 ZINC000863268757 637610352 /nfs/dbraw/zinc/61/03/52/637610352.db2.gz ISWLPEUWRRKTFK-WBVHZDCISA-N 0 1 298.386 2.873 20 30 CFEDMN N#CC1(CNC[C@H](O)c2ccccc2)CCCCC1 ZINC000863573714 637700364 /nfs/dbraw/zinc/70/03/64/637700364.db2.gz SCGBRCQVMVCIIL-HNNXBMFYSA-N 0 1 258.365 2.784 20 30 CFEDMN C=C(C)CN1CC[C@H](NC(=O)c2ccc(Cl)cc2)C1 ZINC001016064942 651222812 /nfs/dbraw/zinc/22/28/12/651222812.db2.gz AIGMZHGDZOWNFE-AWEZNQCLSA-N 0 1 278.783 2.720 20 30 CFEDMN CN(C)c1ccc(C#N)cc1CNc1ccc2nn[nH]c2c1 ZINC000864025175 637837229 /nfs/dbraw/zinc/83/72/29/637837229.db2.gz PUZABHMOSXLICE-UHFFFAOYSA-N 0 1 292.346 2.508 20 30 CFEDMN CN(C)c1ccc(C#N)cc1CNc1ccc2n[nH]nc2c1 ZINC000864025175 637837231 /nfs/dbraw/zinc/83/72/31/637837231.db2.gz PUZABHMOSXLICE-UHFFFAOYSA-N 0 1 292.346 2.508 20 30 CFEDMN N#CC(C(=O)Cc1c(F)cccc1F)c1ccccn1 ZINC000119959179 637929704 /nfs/dbraw/zinc/92/97/04/637929704.db2.gz UEENALRSHUKRET-NSHDSACASA-N 0 1 272.254 2.779 20 30 CFEDMN Cn1nc2c(c1/C=C\C(=O)c1ccc(O)cc1O)CCCC2 ZINC000865221250 638227514 /nfs/dbraw/zinc/22/75/14/638227514.db2.gz WKODRNLAMVQCRQ-HJWRWDBZSA-N 0 1 298.342 2.606 20 30 CFEDMN CCCCCNC(=O)C(C#N)C(=O)[C@H]1CCC[C@H](C)C1 ZINC000076818703 650405958 /nfs/dbraw/zinc/40/59/58/650405958.db2.gz UDNIJELLWGPOSH-MELADBBJSA-N 0 1 278.396 2.828 20 30 CFEDMN COc1ccnc(NCc2cc(C#N)ccc2N(C)C)c1 ZINC000865289554 638258767 /nfs/dbraw/zinc/25/87/67/638258767.db2.gz POIDFRRULAOZRQ-UHFFFAOYSA-N 0 1 282.347 2.640 20 30 CFEDMN C=C(C)CN1CC[C@H](NC(=O)C2(C)CCC(C)CC2)C1 ZINC001016373230 651231880 /nfs/dbraw/zinc/23/18/80/651231880.db2.gz QDLAWVIMKDWNEM-CKDBGZEDSA-N 0 1 278.440 2.969 20 30 CFEDMN C#CCCCNCc1nccc(C)c1Br ZINC000865478079 638365080 /nfs/dbraw/zinc/36/50/80/638365080.db2.gz RFSUJKXAICDFAT-UHFFFAOYSA-N 0 1 267.170 2.656 20 30 CFEDMN C#C[C@H](NCc1cnc2c(F)cccc2c1)[C@H]1CCCO1 ZINC000865531304 638400696 /nfs/dbraw/zinc/40/06/96/638400696.db2.gz HHXSICUYOGXXEO-JKSUJKDBSA-N 0 1 284.334 2.644 20 30 CFEDMN C=C(C)CN1CC[C@@H](NC(=O)C2(C)CCC(C)CC2)C1 ZINC001016373233 651232018 /nfs/dbraw/zinc/23/20/18/651232018.db2.gz QDLAWVIMKDWNEM-ISXOHVOVSA-N 0 1 278.440 2.969 20 30 CFEDMN Cc1ncccc1CNCc1cc(C#N)ccc1N(C)C ZINC000865641919 638483135 /nfs/dbraw/zinc/48/31/35/638483135.db2.gz MPARYFPIBIISTM-UHFFFAOYSA-N 0 1 280.375 2.618 20 30 CFEDMN N#Cc1ccc(CNCc2cc3c([nH]c2=O)CCCC3)s1 ZINC000865878502 638640019 /nfs/dbraw/zinc/64/00/19/638640019.db2.gz PORCLVPUFDRNLO-UHFFFAOYSA-N 0 1 299.399 2.889 20 30 CFEDMN C[C@@H]([NH2+]CC(C)(C)CN(C)C)c1cccc(C#N)c1[O-] ZINC000866213818 638771759 /nfs/dbraw/zinc/77/17/59/638771759.db2.gz ZQPPJCXMEQAFPI-GFCCVEGCSA-N 0 1 275.396 2.502 20 30 CFEDMN C[C@@H]([NH2+]C1CCN(C2CCC2)CC1)c1cccc(C#N)c1[O-] ZINC000866250007 638779892 /nfs/dbraw/zinc/77/98/92/638779892.db2.gz SAIIBWZIQPCUQB-CYBMUJFWSA-N 0 1 299.418 2.931 20 30 CFEDMN COc1ccc2c(c1)CC[C@@H]2NCc1ccc(C#N)cn1 ZINC000866343401 638799928 /nfs/dbraw/zinc/79/99/28/638799928.db2.gz JTERPDIPHGNRAP-KRWDZBQOSA-N 0 1 279.343 2.739 20 30 CFEDMN C[C@H](NC1(C(F)F)CC1)c1cccc(C#N)c1O ZINC000866354557 638803068 /nfs/dbraw/zinc/80/30/68/638803068.db2.gz PCRGIFRSIRTHJX-QMMMGPOBSA-N 0 1 252.264 2.712 20 30 CFEDMN C=C[C@@H]1OCC[C@H]1CN[C@@H]1c2ccccc2OC[C@@H]1F ZINC000866379768 638809866 /nfs/dbraw/zinc/80/98/66/638809866.db2.gz TVHYTNUFHOLJNY-ATVPRXPUSA-N 0 1 277.339 2.639 20 30 CFEDMN CCC(F)(F)CN[C@H](C)c1cccc(C#N)c1O ZINC000866400242 638815262 /nfs/dbraw/zinc/81/52/62/638815262.db2.gz WMTWLRLBYWVVKR-SECBINFHSA-N 0 1 254.280 2.960 20 30 CFEDMN CCC(F)(F)C[NH2+][C@H](C)c1cccc(C#N)c1[O-] ZINC000866400242 638815265 /nfs/dbraw/zinc/81/52/65/638815265.db2.gz WMTWLRLBYWVVKR-SECBINFHSA-N 0 1 254.280 2.960 20 30 CFEDMN C[C@H](N[C@H]1CCc2ccc(C#N)cc21)c1ccnn1C ZINC000866616137 638855097 /nfs/dbraw/zinc/85/50/97/638855097.db2.gz YVZJUFJRXWDCIK-NHYWBVRUSA-N 0 1 266.348 2.630 20 30 CFEDMN C[C@@H](C(=O)C(C#N)C(=O)NC1CCCC1)c1cccs1 ZINC000121837534 638898001 /nfs/dbraw/zinc/89/80/01/638898001.db2.gz WIPJIMANWWRNMF-PWSUYJOCSA-N 0 1 290.388 2.619 20 30 CFEDMN CC[C@@H]1CC[C@@H](C)N1C(=O)[C@@H]1NCCc2cc(C#N)ccc21 ZINC000867977426 638910112 /nfs/dbraw/zinc/91/01/12/638910112.db2.gz HCKAXDCYUHEXCO-SRCQZFHVSA-N 0 1 297.402 2.535 20 30 CFEDMN Cc1cccc(NC(=O)C(C#N)C(=O)[C@@H]2C[C@@H]2[C@H]2C[C@@H]2C)c1 ZINC000870136556 639527720 /nfs/dbraw/zinc/52/77/20/639527720.db2.gz LJWWESZSWMYUPJ-RBRCJPGISA-N 0 1 296.370 2.935 20 30 CFEDMN CCOC(C)(C)C(=O)C(C#N)c1cnc2ccccc2n1 ZINC000870314096 639594064 /nfs/dbraw/zinc/59/40/64/639594064.db2.gz DRPGLLJDVAYHKI-NSHDSACASA-N 0 1 283.331 2.621 20 30 CFEDMN Cc1ccc(CON=C(N)CN2CCCC[C@@H]2C)cc1 ZINC000078639517 650520267 /nfs/dbraw/zinc/52/02/67/650520267.db2.gz KGJCPPYGDXGGJN-AWEZNQCLSA-N 0 1 275.396 2.658 20 30 CFEDMN N#Cc1cccc(ONC(=O)[C@H]2CCCCCC(=O)C2)c1 ZINC000870691038 639773327 /nfs/dbraw/zinc/77/33/27/639773327.db2.gz YCXZNFGSGRRMDK-ZDUSSCGKSA-N 0 1 286.331 2.508 20 30 CFEDMN N#Cc1cccc(ONC(=O)[C@@H]2C[C@@H]3C=C[C@H]2CC3)c1 ZINC000870690707 639773752 /nfs/dbraw/zinc/77/37/52/639773752.db2.gz TYHKXNRDGBLAIW-OSAQELSMSA-N 0 1 268.316 2.571 20 30 CFEDMN C=CCc1ccccc1OC(=O)CCCCc1cn[nH]n1 ZINC000192476526 650564190 /nfs/dbraw/zinc/56/41/90/650564190.db2.gz SUUMERBYXOBYND-UHFFFAOYSA-N 0 1 285.347 2.852 20 30 CFEDMN C=CC[C@@H](C)NC(=O)[C@H](N)c1cccc(Br)c1 ZINC000870888397 641107713 /nfs/dbraw/zinc/10/77/13/641107713.db2.gz GAKLTQIUCXWCDW-BXKDBHETSA-N 0 1 297.196 2.530 20 30 CFEDMN N#Cc1ccc2nc(NC(=O)[C@H]3CC3(Cl)Cl)[nH]c2c1 ZINC000871070136 641183438 /nfs/dbraw/zinc/18/34/38/641183438.db2.gz HHXZLGPRNXZJNR-SSDOTTSWSA-N 0 1 295.129 2.567 20 30 CFEDMN CCC(CC)C(=O)Nc1nc2ccc(C#N)cc2[nH]1 ZINC000871070312 641185058 /nfs/dbraw/zinc/18/50/58/641185058.db2.gz JWCLBKXZTDCFKW-UHFFFAOYSA-N 0 1 256.309 2.809 20 30 CFEDMN CC[C@@H]1C[C@@H](C(=O)Nc2nc3ccc(C#N)cc3[nH]2)CCO1 ZINC000871072151 641186693 /nfs/dbraw/zinc/18/66/93/641186693.db2.gz IIWPPSWSYVLAAT-NWDGAFQWSA-N 0 1 298.346 2.578 20 30 CFEDMN C[C@H](C(=O)Nc1nc2ccc(C#N)cc2[nH]1)C1CCC1 ZINC000871073382 641188348 /nfs/dbraw/zinc/18/83/48/641188348.db2.gz ZLTJJCSTLMJLCM-VIFPVBQESA-N 0 1 268.320 2.809 20 30 CFEDMN N#CC(C(=O)Nc1ccc(Cl)cc1)C(=O)C1CCC1 ZINC000193391435 650650102 /nfs/dbraw/zinc/65/01/02/650650102.db2.gz ZIGDXJXGMHMIOC-LBPRGKRZSA-N 0 1 276.723 2.787 20 30 CFEDMN CC(C)(C)c1n[nH]c(SCc2ccc(C#N)o2)n1 ZINC000871644204 641379310 /nfs/dbraw/zinc/37/93/10/641379310.db2.gz DCMGAVMGTQQIFX-UHFFFAOYSA-N 0 1 262.338 2.859 20 30 CFEDMN C=CC(C)(C)CCCN[C@@H](C(N)=O)c1ccc(F)cc1 ZINC000871930441 641514308 /nfs/dbraw/zinc/51/43/08/641514308.db2.gz NUOUKCHFIGSDTN-CQSZACIVSA-N 0 1 278.371 2.934 20 30 CFEDMN C=C[C@@H]1OCC[C@H]1N[C@@H](C)c1c(F)cccc1[N+](=O)[O-] ZINC000872075970 641608001 /nfs/dbraw/zinc/60/80/01/641608001.db2.gz HFWHMQWRURFKNL-NDMJEZRESA-N 0 1 280.299 2.728 20 30 CFEDMN C#CC[C@@H]1CCC[N@H+](Cc2ccc(C)c(C(=O)[O-])c2)C1 ZINC000872160721 641682108 /nfs/dbraw/zinc/68/21/08/641682108.db2.gz MNMNDYCPDLJMAK-CQSZACIVSA-N 0 1 271.360 2.929 20 30 CFEDMN CC1(C)[C@H]2[C@H](CCCN2Cc2ccccc2C#N)[C@@H]1O ZINC000872256785 641721196 /nfs/dbraw/zinc/72/11/96/641721196.db2.gz YDKYLVCTAKXACT-XHSDSOJGSA-N 0 1 270.376 2.540 20 30 CFEDMN C#CCOc1ccc(CN2CCO[C@@H](C(F)F)CC2)cc1 ZINC000872256437 641721570 /nfs/dbraw/zinc/72/15/70/641721570.db2.gz TTXRZZNLOCGJLN-OAHLLOKOSA-N 0 1 295.329 2.555 20 30 CFEDMN CC(=NNC1=NC[C@H](C)N1)c1ccc(C2CCC2)cc1 ZINC000872364218 641770108 /nfs/dbraw/zinc/77/01/08/641770108.db2.gz GJQNUKRQMDPCDY-NSHDSACASA-N 0 1 270.380 2.615 20 30 CFEDMN CC[C@H](C)CON=C1CCCN2CCSC[C@@H]12 ZINC000872376493 641780639 /nfs/dbraw/zinc/78/06/39/641780639.db2.gz HORUQVYVFNRSTP-AAEUAGOBSA-N 0 1 256.415 2.616 20 30 CFEDMN C[C@H]1C(N=Nc2cc(C(F)(F)F)ccn2)CCN1C ZINC000872378918 641782107 /nfs/dbraw/zinc/78/21/07/641782107.db2.gz KUGBWIBMZBWBQY-QMMMGPOBSA-N 0 1 272.274 2.592 20 30 CFEDMN COc1ccc2c(c1)CCC2=NNc1ccncc1C ZINC000872392736 641789342 /nfs/dbraw/zinc/78/93/42/641789342.db2.gz WQWPGTYENQRKDA-UHFFFAOYSA-N 0 1 267.332 2.583 20 30 CFEDMN CC[NH+](CC)Cc1cc(C(C)=NN2CCC2)ccc1[O-] ZINC000872395745 641791343 /nfs/dbraw/zinc/79/13/43/641791343.db2.gz BGXRFDKUGYACBN-UHFFFAOYSA-N 0 1 275.396 2.664 20 30 CFEDMN C(=NN=c1[nH]c2ccncc2s1)c1ccnn1CC1CC1 ZINC000872412739 641800373 /nfs/dbraw/zinc/80/03/73/641800373.db2.gz VRQYOJHOWBEBIB-UHFFFAOYSA-N 0 1 298.375 2.744 20 30 CFEDMN C(=[NH+][N-]c1nc2ccncc2s1)c1ccnn1CC1CC1 ZINC000872412739 641800378 /nfs/dbraw/zinc/80/03/78/641800378.db2.gz VRQYOJHOWBEBIB-UHFFFAOYSA-N 0 1 298.375 2.744 20 30 CFEDMN Cn1ncc(C2CC2)c1C=NN=c1[nH]c2ccncc2s1 ZINC000872412352 641800466 /nfs/dbraw/zinc/80/04/66/641800466.db2.gz OBHHZPHTCBQKCD-UHFFFAOYSA-N 0 1 298.375 2.748 20 30 CFEDMN Cn1ncc(C2CC2)c1C=[NH+][N-]c1nc2ccncc2s1 ZINC000872412352 641800473 /nfs/dbraw/zinc/80/04/73/641800473.db2.gz OBHHZPHTCBQKCD-UHFFFAOYSA-N 0 1 298.375 2.748 20 30 CFEDMN COc1cc(C)cc(CN(C)[C@@H]2CCC[C@H]2C#N)c1O ZINC000872682357 641894937 /nfs/dbraw/zinc/89/49/37/641894937.db2.gz PAJYFBGTEKPWEU-GXTWGEPZSA-N 0 1 274.364 2.833 20 30 CFEDMN C[C@](O)(CNCc1cccc(F)c1C#N)c1cccs1 ZINC000873058532 641998770 /nfs/dbraw/zinc/99/87/70/641998770.db2.gz QBVSPJAGKKGZJT-HNNXBMFYSA-N 0 1 290.363 2.756 20 30 CFEDMN CCCCCNC(=O)C(C#N)C(=O)[C@H](CC)CCC ZINC000873497113 642223171 /nfs/dbraw/zinc/22/31/71/642223171.db2.gz HOUAVTKBAHLFDA-CHWSQXEVSA-N 0 1 266.385 2.828 20 30 CFEDMN CCCCCCC[C@@H](C)[NH2+]C1CCN(CC(=O)[O-])CC1 ZINC000874047747 642328471 /nfs/dbraw/zinc/32/84/71/642328471.db2.gz ZMOKGCACHLLMPI-CQSZACIVSA-N 0 1 284.444 2.874 20 30 CFEDMN C[C@@H](CC#N)C(=O)Nc1nc2ccc(Cl)cc2[nH]1 ZINC000874690507 642451298 /nfs/dbraw/zinc/45/12/98/642451298.db2.gz FJLSPLUINTYCLV-ZETCQYMHSA-N 0 1 262.700 2.705 20 30 CFEDMN C#C[C@H]1CC[C@H](NC(=O)[C@H](c2ccccc2)N(C)CC)CC1 ZINC000874864536 642536033 /nfs/dbraw/zinc/53/60/33/642536033.db2.gz JISDDZDYXOBZDL-SZMVWBNQSA-N 0 1 298.430 2.988 20 30 CFEDMN N#Cc1cnc(Cl)c(CN(CCO)C2CCCCC2)c1 ZINC000876511270 642899463 /nfs/dbraw/zinc/89/94/63/642899463.db2.gz CNJPJQFGQHDMQA-UHFFFAOYSA-N 0 1 293.798 2.734 20 30 CFEDMN N#Cc1cnc(Cl)c(CN2CCC[C@H]2C2CC2)c1 ZINC000876690494 642975542 /nfs/dbraw/zinc/97/55/42/642975542.db2.gz WKIKNLIZMVQDFQ-ZDUSSCGKSA-N 0 1 261.756 2.981 20 30 CFEDMN COc1ccc(CN[C@@H](C)c2ccncc2)cc1C#N ZINC000087822487 650806175 /nfs/dbraw/zinc/80/61/75/650806175.db2.gz PATJRNUBSRHBEP-LBPRGKRZSA-N 0 1 267.332 2.813 20 30 CFEDMN N#Cc1cccc(CN2CCC[C@@H]2C[C@@H](O)c2ccco2)n1 ZINC000876808887 643018413 /nfs/dbraw/zinc/01/84/13/643018413.db2.gz VOZDGDVZTJTIBX-HZPDHXFCSA-N 0 1 297.358 2.634 20 30 CFEDMN C=C(Cl)C[C@@H](N)C(=O)Nc1ccc(C)c(C(C)=O)c1 ZINC000876954824 643078634 /nfs/dbraw/zinc/07/86/34/643078634.db2.gz PVWFOXAYMIARNA-CYBMUJFWSA-N 0 1 280.755 2.606 20 30 CFEDMN CC[C@@H](CC#N)NCC12CC(C1)CN2C(=O)OC(C)(C)C ZINC000877367219 643248606 /nfs/dbraw/zinc/24/86/06/643248606.db2.gz ZKPGUEWJHKDRGN-UYJPIKCFSA-N 0 1 293.411 2.668 20 30 CFEDMN C#CCCCCCCN1CCO[C@@H](COC(C)C)C1 ZINC000877403018 643260547 /nfs/dbraw/zinc/26/05/47/643260547.db2.gz LDYCKKOUONRELJ-MRXNPFEDSA-N 0 1 267.413 2.696 20 30 CFEDMN CCOC(C)(C)CNCc1cc(C#N)cnc1Cl ZINC000877459910 643280289 /nfs/dbraw/zinc/28/02/89/643280289.db2.gz OFTPPKJOLXDJAB-UHFFFAOYSA-N 0 1 267.760 2.511 20 30 CFEDMN C#CCCCCCCN1CCOC[C@H]1[C@H]1CCCC1=O ZINC000877465438 643285891 /nfs/dbraw/zinc/28/58/91/643285891.db2.gz XFZMEGADWUDJEU-CVEARBPZSA-N 0 1 277.408 2.640 20 30 CFEDMN CN(C)c1ccc(C#N)cc1CN1CCC(F)(F)CC1 ZINC000877492871 643306495 /nfs/dbraw/zinc/30/64/95/643306495.db2.gz VXNGGLYDIZITGJ-UHFFFAOYSA-N 0 1 279.334 2.855 20 30 CFEDMN CC(C)(C)OC(=O)N[C@@H]1C[C@@H](NCC2(C#N)CC2)C1(C)C ZINC000877495061 643307675 /nfs/dbraw/zinc/30/76/75/643307675.db2.gz XUKHVPLZCFRZBQ-VXGBXAGGSA-N 0 1 293.411 2.572 20 30 CFEDMN C#C[C@H]1CCC[N@H+](Cc2ccc(C(F)F)nc2)C1 ZINC000877617308 643403238 /nfs/dbraw/zinc/40/32/38/643403238.db2.gz NKJFSCLLXFRUQJ-NSHDSACASA-N 0 1 250.292 2.864 20 30 CFEDMN C#C[C@H]1CCCN(Cc2ccc(C(F)F)nc2)C1 ZINC000877617308 643403242 /nfs/dbraw/zinc/40/32/42/643403242.db2.gz NKJFSCLLXFRUQJ-NSHDSACASA-N 0 1 250.292 2.864 20 30 CFEDMN C=CC[C@@H]1CCN(Cc2cc(OC)cnc2F)C1 ZINC000877649922 643430998 /nfs/dbraw/zinc/43/09/98/643430998.db2.gz LOJZFKVSUXSTAZ-LLVKDONJSA-N 0 1 250.317 2.627 20 30 CFEDMN C#CC[C@H]1CCN(Cc2nc3cc([N+](=O)[O-])ccc3o2)C1 ZINC000877650908 643432505 /nfs/dbraw/zinc/43/25/05/643432505.db2.gz PLQBPJORXUSUOV-NSHDSACASA-N 0 1 285.303 2.581 20 30 CFEDMN CN(CCc1cccc(C#N)c1)Cc1ccns1 ZINC000877703965 643469673 /nfs/dbraw/zinc/46/96/73/643469673.db2.gz CUNHYCLIHJCFCX-UHFFFAOYSA-N 0 1 257.362 2.689 20 30 CFEDMN N#Cc1c(F)cccc1CN1CC[C@H]2CSC[C@@H]2C1 ZINC000877741203 643511342 /nfs/dbraw/zinc/51/13/42/643511342.db2.gz XUPCTOVFIKDXGN-STQMWFEESA-N 0 1 276.380 2.882 20 30 CFEDMN C=CC[C@H](C)N1CCN(C(=O)C2CCCCC2)CC1 ZINC000877998449 643685808 /nfs/dbraw/zinc/68/58/08/643685808.db2.gz URHAYZRSUUPRNO-AWEZNQCLSA-N 0 1 264.413 2.676 20 30 CFEDMN C=CC[C@@H](C)N1CCN(C(=O)C2CCCCC2)CC1 ZINC000877998450 643685900 /nfs/dbraw/zinc/68/59/00/643685900.db2.gz URHAYZRSUUPRNO-CQSZACIVSA-N 0 1 264.413 2.676 20 30 CFEDMN C#Cc1cccc(NC(=O)[C@H]2c3cn[nH]c3CC[C@@H]2C)c1 ZINC000878052728 643715096 /nfs/dbraw/zinc/71/50/96/643715096.db2.gz XONVDDWEQWMIHF-MEDUHNTESA-N 0 1 279.343 2.696 20 30 CFEDMN C#Cc1cccc(NC(=O)[C@H]2c3cn[nH]c3CC[C@H]2C)c1 ZINC000878052724 643715545 /nfs/dbraw/zinc/71/55/45/643715545.db2.gz XONVDDWEQWMIHF-BDJLRTHQSA-N 0 1 279.343 2.696 20 30 CFEDMN CC(C)(C)OC(=O)NC[C@H]1CCCN1CC1(CC#N)CC1 ZINC000878149518 643760868 /nfs/dbraw/zinc/76/08/68/643760868.db2.gz QQWWJPINVGVZNK-CYBMUJFWSA-N 0 1 293.411 2.669 20 30 CFEDMN C=CC[C@@H](C(=O)OC)N1CC[C@@H](COc2ccccc2)C1 ZINC000878391587 643869851 /nfs/dbraw/zinc/86/98/51/643869851.db2.gz OCFJAPKRABLKTD-ZBFHGGJFSA-N 0 1 289.375 2.505 20 30 CFEDMN C=CC[C@H](C)N1CCN([C@@H](C)c2nccs2)CC1 ZINC000878436672 643894385 /nfs/dbraw/zinc/89/43/85/643894385.db2.gz DCVYJJNMYVHGJL-STQMWFEESA-N 0 1 265.426 2.786 20 30 CFEDMN C#CCCCCCN1CCSC[C@H]1c1cnn(C)c1 ZINC000878502905 643919644 /nfs/dbraw/zinc/91/96/44/643919644.db2.gz JUQSEZNEZJHFRW-HNNXBMFYSA-N 0 1 277.437 2.704 20 30 CFEDMN C#C[C@@H](C)[N@@H+](C)C[C@H](O)c1ccc(Cl)c(Cl)c1 ZINC000878517660 643924703 /nfs/dbraw/zinc/92/47/03/643924703.db2.gz UBXYEDSJVBFCPX-RNCFNFMXSA-N 0 1 272.175 2.980 20 30 CFEDMN C#C[C@@H](C)N(C)C[C@H](O)c1ccc(Cl)c(Cl)c1 ZINC000878517660 643924707 /nfs/dbraw/zinc/92/47/07/643924707.db2.gz UBXYEDSJVBFCPX-RNCFNFMXSA-N 0 1 272.175 2.980 20 30 CFEDMN Cc1ccc(C#N)cc1NC(=O)[C@@H]1c2cn[nH]c2CC[C@@H]1C ZINC000878524996 643927718 /nfs/dbraw/zinc/92/77/18/643927718.db2.gz JOOBCEPJMFWODW-ZBEGNZNMSA-N 0 1 294.358 2.894 20 30 CFEDMN C#CCN(Cc1ccccc1)C[C@@H]1CC2(CO1)CCOCC2 ZINC000878612957 643957172 /nfs/dbraw/zinc/95/71/72/643957172.db2.gz CYHBPABXIJXZKO-SFHVURJKSA-N 0 1 299.414 2.708 20 30 CFEDMN C=CCN(Cc1ccc(C)c([N+](=O)[O-])c1)[C@@H](C)COC ZINC000878890038 644063407 /nfs/dbraw/zinc/06/34/07/644063407.db2.gz QRSNCRAGKBNVMU-ZDUSSCGKSA-N 0 1 278.352 2.926 20 30 CFEDMN C=CC[C@H](C)N1CC(C)(c2nnc(C3CCOCC3)o2)C1 ZINC000879010358 644110961 /nfs/dbraw/zinc/11/09/61/644110961.db2.gz AFKHDRBNLXUSAF-LBPRGKRZSA-N 0 1 291.395 2.502 20 30 CFEDMN N#Cc1ccc(C2CCN(Cc3ccnc(F)c3)CC2)nc1 ZINC000879022917 644115453 /nfs/dbraw/zinc/11/54/53/644115453.db2.gz BYPIIAWZMXAEPO-UHFFFAOYSA-N 0 1 296.349 2.867 20 30 CFEDMN C=CCCC[C@@H](C(=O)NOCCOC)c1ccccc1 ZINC000879088418 644138743 /nfs/dbraw/zinc/13/87/43/644138743.db2.gz UYEMHYQKZSWVAG-OAHLLOKOSA-N 0 1 277.364 2.821 20 30 CFEDMN N#Cc1ccc(C[N@@H+]2CCC[C@H]2[C@@H](O)c2ccccc2)nc1 ZINC000879241622 644186900 /nfs/dbraw/zinc/18/69/00/644186900.db2.gz AMJFHNGUMWKNLH-ROUUACIJSA-N 0 1 293.370 2.651 20 30 CFEDMN CO[C@H]1CC[C@H](C)N(Cc2cn3ccccc3c2C#N)C1 ZINC000879317756 644222679 /nfs/dbraw/zinc/22/26/79/644222679.db2.gz GZVFUMBPRYQLIN-ZFWWWQNUSA-N 0 1 283.375 2.810 20 30 CFEDMN C=CC(C)(C)CC(=O)N1CCN(CCOC)[C@@H](CCC)C1 ZINC000879348544 644240204 /nfs/dbraw/zinc/24/02/04/644240204.db2.gz BEJJPUJUKYLWHC-HNNXBMFYSA-N 0 1 296.455 2.548 20 30 CFEDMN CN(CCc1cccc(C#N)c1)CCC(F)(F)F ZINC000879433550 644270856 /nfs/dbraw/zinc/27/08/56/644270856.db2.gz WUIUQZQSFXPPAZ-UHFFFAOYSA-N 0 1 256.271 2.985 20 30 CFEDMN C=CC[C@@H](C)N1Cc2cccnc2N2CCC[C@@H]2C1 ZINC000879503055 644295513 /nfs/dbraw/zinc/29/55/13/644295513.db2.gz UBMIKALEQAKPQG-UKRRQHHQSA-N 0 1 257.381 2.831 20 30 CFEDMN C=CC[C@@H](C)N1Cc2cccnc2N2CCC[C@H]2C1 ZINC000879693702 644384540 /nfs/dbraw/zinc/38/45/40/644384540.db2.gz UBMIKALEQAKPQG-HIFRSBDPSA-N 0 1 257.381 2.831 20 30 CFEDMN C=CCCC[C@@H](C(=O)NOCC(C)(C)O)c1ccccc1 ZINC000879793298 644426575 /nfs/dbraw/zinc/42/65/75/644426575.db2.gz KWGQQCVCYBCTCE-OAHLLOKOSA-N 0 1 291.391 2.945 20 30 CFEDMN C=CCCN1C[C@H]2CC[C@@H](C1)N2C(=O)c1ccccc1F ZINC001017309265 650921455 /nfs/dbraw/zinc/92/14/55/650921455.db2.gz HVSMNQUAFMOUHY-OKILXGFUSA-N 0 1 288.366 2.691 20 30 CFEDMN C=C(CC)CN1CC[C@H](C(F)(F)F)O[C@H](C)C1 ZINC000880061818 644518903 /nfs/dbraw/zinc/51/89/03/644518903.db2.gz BGSOCQCBRLSABN-GHMZBOCLSA-N 0 1 251.292 2.994 20 30 CFEDMN C[C@H]1CN(CC2(CC#N)CC2)CC[C@@H](C(F)(F)F)O1 ZINC000880064652 644520272 /nfs/dbraw/zinc/52/02/72/644520272.db2.gz ONCLGMGJCGACIY-QWRGUYRKSA-N 0 1 276.302 2.722 20 30 CFEDMN CCC#C[C@H](C)N(C)C[C@H]1CN(c2ccccc2)C(=O)O1 ZINC000880079759 644524489 /nfs/dbraw/zinc/52/44/89/644524489.db2.gz JSYYOZWWFSWIAJ-HOCLYGCPSA-N 0 1 286.375 2.746 20 30 CFEDMN C[C@H](C(=O)Nc1cccc(C#N)c1)N1CCC[C@@H](CF)C1 ZINC000880233866 644595415 /nfs/dbraw/zinc/59/54/15/644595415.db2.gz OGMNMHRCSAIDGM-OCCSQVGLSA-N 0 1 289.354 2.567 20 30 CFEDMN N#Cc1ccc(CN2CCC[C@H](CF)C2)c([N+](=O)[O-])c1 ZINC000880238859 644602437 /nfs/dbraw/zinc/60/24/37/644602437.db2.gz XYRFUILJYNDVHR-GFCCVEGCSA-N 0 1 277.299 2.648 20 30 CFEDMN C#C[C@H](NC(=O)[C@@H]1c2cn[nH]c2CC[C@H]1C)c1ccccc1 ZINC000880402658 644688616 /nfs/dbraw/zinc/68/86/16/644688616.db2.gz BLKTXVQYOWPBRC-PVUWLOKVSA-N 0 1 293.370 2.566 20 30 CFEDMN C#CCC1(O)CCN(CC#Cc2cccc(Cl)c2)CC1 ZINC000880480749 644730958 /nfs/dbraw/zinc/73/09/58/644730958.db2.gz FBAYPWHWSUNIFR-UHFFFAOYSA-N 0 1 287.790 2.542 20 30 CFEDMN Cn1cc(C2C[C@H]3CC[C@@H](C2)N3C[C@H](C#N)CCC#N)cn1 ZINC000880517697 644747594 /nfs/dbraw/zinc/74/75/94/644747594.db2.gz ONVJGCRJBAKSIZ-YTTRVJOFSA-N 0 1 297.406 2.574 20 30 CFEDMN C=CCCSCCNC(=O)[C@@H]1c2cn[nH]c2CC[C@@H]1C ZINC000880669018 644801213 /nfs/dbraw/zinc/80/12/13/644801213.db2.gz BHFWQJDHTMOHMI-FZMZJTMJSA-N 0 1 293.436 2.501 20 30 CFEDMN CC(C)C(N)=NOCc1ccc(Br)s1 ZINC000128583262 644816157 /nfs/dbraw/zinc/81/61/57/644816157.db2.gz LBBQPZJWAUGOQD-UHFFFAOYSA-N 0 1 277.187 2.955 20 30 CFEDMN C[N@H+]1CCCN(C(=O)Nc2ccc(C3CC3)c(C#N)c2)CC1 ZINC000881123176 644910768 /nfs/dbraw/zinc/91/07/68/644910768.db2.gz UMNXLNWJVLNMNG-UHFFFAOYSA-N 0 1 298.390 2.605 20 30 CFEDMN Cc1[nH]ncc1CNC(=O)Nc1ccc(C2CC2)c(C#N)c1 ZINC000881125375 644912847 /nfs/dbraw/zinc/91/28/47/644912847.db2.gz BKWPAMBLVRPEGP-UHFFFAOYSA-N 0 1 295.346 2.789 20 30 CFEDMN C[C@@H]1C[C@H]1C(=O)C(C#N)C(=O)Nc1ccc(F)c(Cl)c1 ZINC000249724011 650966873 /nfs/dbraw/zinc/96/68/73/650966873.db2.gz OKIHUWPUQRSOLE-QNSHHTMESA-N 0 1 294.713 2.782 20 30 CFEDMN C=CC[C@H](Sc1nc2ccc(OC)cc2[nH]1)C(=O)OC ZINC000882021881 645178851 /nfs/dbraw/zinc/17/88/51/645178851.db2.gz LGSDZXZNEXEVEF-LBPRGKRZSA-N 0 1 292.360 2.781 20 30 CFEDMN C=CCN1C(=O)N=NC1S[C@H](C)c1ccc(F)nc1 ZINC000882139435 645217272 /nfs/dbraw/zinc/21/72/72/645217272.db2.gz WSCKWEAAOHAALD-MRVPVSSYSA-N 0 1 280.328 2.557 20 30 CFEDMN C=C(C)CN1CCC[C@H](NC(=O)c2sccc2C)C1 ZINC001006601090 651126331 /nfs/dbraw/zinc/12/63/31/651126331.db2.gz HGCYRZZEIFERTM-ZDUSSCGKSA-N 0 1 278.421 2.827 20 30 CFEDMN CCN(CC)CC(=O)Nc1ccc(C2CC2)c(C#N)c1 ZINC000882311810 645277335 /nfs/dbraw/zinc/27/73/35/645277335.db2.gz COIDQNRRFSAMOG-UHFFFAOYSA-N 0 1 271.364 2.716 20 30 CFEDMN C=CCC[C@H](C(=O)NC[C@@H]1CCN1CC)c1ccccc1 ZINC000882492412 645343599 /nfs/dbraw/zinc/34/35/99/645343599.db2.gz RNLBHQKUUTZCGS-IRXDYDNUSA-N 0 1 286.419 2.947 20 30 CFEDMN C=CC[C@@H](C(=O)NC[C@@H]1CCN1CC)c1ccccc1 ZINC000882493020 645343688 /nfs/dbraw/zinc/34/36/88/645343688.db2.gz WUFGJARTVHDFKT-JKSUJKDBSA-N 0 1 272.392 2.557 20 30 CFEDMN C[C@@H]1CN(c2ccncc2C(F)(F)F)C[C@H](C)N1CC#N ZINC000882519394 645351735 /nfs/dbraw/zinc/35/17/35/645351735.db2.gz WAYAXWXFKNOFLA-PHIMTYICSA-N 0 1 298.312 2.523 20 30 CFEDMN N=C(N)NN=Cc1ccc(-c2cccc(Cl)c2)s1 ZINC000252453589 651005883 /nfs/dbraw/zinc/00/58/83/651005883.db2.gz ONBWXIBICPZHRY-UHFFFAOYSA-N 0 1 278.768 2.885 20 30 CFEDMN C[C@@H](c1ccccc1)N1CCN(c2ccnc(C#N)c2)CC1 ZINC000882810369 645468242 /nfs/dbraw/zinc/46/82/42/645468242.db2.gz IIHOQCLAOLNSKA-HNNXBMFYSA-N 0 1 292.386 2.836 20 30 CFEDMN N#CC1(c2ccc(-c3nc(F)nc4nc[nH]c43)cc2)CC1 ZINC001243419396 782189343 /nfs/dbraw/zinc/18/93/43/782189343.db2.gz QEVFUHZUOJODLW-UHFFFAOYSA-N 0 1 279.278 2.714 20 30 CFEDMN C=CCC[C@H](NCc1nccs1)[C@H]1CCCO1 ZINC000883175051 645640999 /nfs/dbraw/zinc/64/09/99/645640999.db2.gz YCLPWLJEUTXQMP-NWDGAFQWSA-N 0 1 252.383 2.747 20 30 CFEDMN C=CCC[C@H](NCc1coc(CC)n1)[C@@H]1CCCO1 ZINC000883227258 645677298 /nfs/dbraw/zinc/67/72/98/645677298.db2.gz OAJIDJAIPOTNMS-KBPBESRZSA-N 0 1 264.369 2.840 20 30 CFEDMN C=C(Br)CN1CCCC[C@@H]1[C@@H]1CCC[C@H]1O ZINC000253086756 651036498 /nfs/dbraw/zinc/03/64/98/651036498.db2.gz CFWHVHDWVILTBG-YNEHKIRRSA-N 0 1 288.229 2.911 20 30 CFEDMN CC1(C)CCC(C(=O)C(C#N)C(=O)Nc2ccccn2)CC1 ZINC000132053058 645871277 /nfs/dbraw/zinc/87/12/77/645871277.db2.gz VSNBZSRMQPSZKK-ZDUSSCGKSA-N 0 1 299.374 2.945 20 30 CFEDMN CNC(=O)C(C#N)C(=O)CC1CCC(C(C)(C)C)CC1 ZINC000133348910 646074962 /nfs/dbraw/zinc/07/49/62/646074962.db2.gz ZFFNLKVDPAQPCV-BPCQOVAHSA-N 0 1 278.396 2.684 20 30 CFEDMN C=CC1CCN(C(=O)[C@H](N)Cc2cc3ccccc3o2)CC1 ZINC000884134826 646231970 /nfs/dbraw/zinc/23/19/70/646231970.db2.gz SXJCNXUUECDRLS-MRXNPFEDSA-N 0 1 298.386 2.727 20 30 CFEDMN C#CC[C@@H]1CCN(c2cc[nH+]c3c([O-])cccc23)C1 ZINC000884594294 646476987 /nfs/dbraw/zinc/47/69/87/646476987.db2.gz FJQCBVUDNCMDQP-GFCCVEGCSA-N 0 1 252.317 2.790 20 30 CFEDMN C#CCN1CCC[C@H](Nc2ncnc3scc(C)c32)C1 ZINC000884611512 646486597 /nfs/dbraw/zinc/48/65/97/646486597.db2.gz NUFBUVZMTOWBGA-LBPRGKRZSA-N 0 1 286.404 2.509 20 30 CFEDMN Cc1nc(C2CCN(c3ccc(C)c(C#N)n3)CC2)[nH]c1C ZINC000884706773 646534437 /nfs/dbraw/zinc/53/44/37/646534437.db2.gz NJXKUUONVNEEOA-UHFFFAOYSA-N 0 1 295.390 2.986 20 30 CFEDMN CC(C)(C)N1CCCC(C(=O)OCCC(C)(C)C#N)C1=O ZINC000885477968 646694744 /nfs/dbraw/zinc/69/47/44/646694744.db2.gz LRMMHGUPGKBCQQ-GFCCVEGCSA-N 0 1 294.395 2.507 20 30 CFEDMN C=CCn1ncc2ccc(NC(=O)CN(C)CCC)cc21 ZINC000885573574 646709604 /nfs/dbraw/zinc/70/96/04/646709604.db2.gz KCMLCQFYHNSYSV-UHFFFAOYSA-N 0 1 286.379 2.503 20 30 CFEDMN C=CCN(Cc1cccc(C#N)c1)C[C@@](C)(O)C(F)F ZINC000885967820 646789068 /nfs/dbraw/zinc/78/90/68/646789068.db2.gz ZCJFRKFMNHRUCU-OAHLLOKOSA-N 0 1 280.318 2.562 20 30 CFEDMN C=CCCOCCNCc1ccc(OC)c(OC)c1F ZINC000886046962 646840940 /nfs/dbraw/zinc/84/09/40/646840940.db2.gz UNVVDRTVZIXVLP-UHFFFAOYSA-N 0 1 283.343 2.525 20 30 CFEDMN C#CCOc1ccccc1NCc1n[nH]c(C)c1C ZINC000886070371 646854108 /nfs/dbraw/zinc/85/41/08/646854108.db2.gz RLPUEYWTQLSLEJ-UHFFFAOYSA-N 0 1 255.321 2.651 20 30 CFEDMN Cc1n[nH]c(CNC(C)(C)c2cccc(C#N)c2)c1C ZINC000886158149 646900680 /nfs/dbraw/zinc/90/06/80/646900680.db2.gz SPPDQHOLPSBTHA-UHFFFAOYSA-N 0 1 268.364 2.923 20 30 CFEDMN C#CC1(NCc2ccc(OC)c(OC)c2F)CCCC1 ZINC000886188395 646913450 /nfs/dbraw/zinc/91/34/50/646913450.db2.gz REQBZQYXYHJWOT-UHFFFAOYSA-N 0 1 277.339 2.879 20 30 CFEDMN C#CC[C@H]1CC[N@H+](Cc2cc(F)cc3c2OCOC3)C1 ZINC000886354098 646983370 /nfs/dbraw/zinc/98/33/70/646983370.db2.gz VXJZADYJYNDLST-LBPRGKRZSA-N 0 1 275.323 2.537 20 30 CFEDMN C#CC[C@@H]1CCN(Cc2nnc(-c3ccc(C)cc3)o2)C1 ZINC000886356108 646983981 /nfs/dbraw/zinc/98/39/81/646983981.db2.gz UAEKAKCPWICFNA-CQSZACIVSA-N 0 1 281.359 2.890 20 30 CFEDMN C#CC[C@H]1CCN([C@H](C)c2nc(CCCC)no2)C1 ZINC000886355238 646984523 /nfs/dbraw/zinc/98/45/23/646984523.db2.gz FEQRXDIJWDYNSX-OLZOCXBDSA-N 0 1 261.369 2.818 20 30 CFEDMN C#CC[C@H]1CCN(Cc2ccn(C3CCCC3)n2)C1 ZINC000886360597 646986724 /nfs/dbraw/zinc/98/67/24/646986724.db2.gz YKGVUTBTUUOHAI-AWEZNQCLSA-N 0 1 257.381 2.843 20 30 CFEDMN C#CC[C@@H]1CCN(Cc2ccn(C3CCCC3)n2)C1 ZINC000886360598 646986914 /nfs/dbraw/zinc/98/69/14/646986914.db2.gz YKGVUTBTUUOHAI-CQSZACIVSA-N 0 1 257.381 2.843 20 30 CFEDMN C#CCC1(NC(=O)[C@@H]2c3cn[nH]c3CC[C@H]2C)CCCCC1 ZINC000886658979 647093308 /nfs/dbraw/zinc/09/33/08/647093308.db2.gz YILOXAFMZLMANS-CJNGLKHVSA-N 0 1 299.418 2.918 20 30 CFEDMN N#Cc1cc(CN2CCC[C@@H](c3ncccn3)C2)ccc1F ZINC000886680763 647108043 /nfs/dbraw/zinc/10/80/43/647108043.db2.gz LGLSFBYZVDSGBA-CQSZACIVSA-N 0 1 296.349 2.867 20 30 CFEDMN C#CCC1(NC(=O)c2cccc3nc(C)[nH]c32)CCC1 ZINC000886798158 647141729 /nfs/dbraw/zinc/14/17/29/647141729.db2.gz QFFKAWAMGXVOGQ-UHFFFAOYSA-N 0 1 267.332 2.547 20 30 CFEDMN N#Cc1ccc(F)cc1CN1CC[C@H]([C@H]2CCCO2)C1 ZINC000886829770 647154933 /nfs/dbraw/zinc/15/49/33/647154933.db2.gz GUWQEQLFWFLZGO-XJKSGUPXSA-N 0 1 274.339 2.698 20 30 CFEDMN N#Cc1cc(F)ccc1CN1CC[C@H]([C@H]2CCCO2)C1 ZINC000886833207 647157019 /nfs/dbraw/zinc/15/70/19/647157019.db2.gz UZJSEOHAUDDUOB-XJKSGUPXSA-N 0 1 274.339 2.698 20 30 CFEDMN C#CCC1(NCc2c(F)cccc2F)CCOCC1 ZINC000887122009 647219159 /nfs/dbraw/zinc/21/91/59/647219159.db2.gz HABXWQUFXYNJNN-UHFFFAOYSA-N 0 1 265.303 2.627 20 30 CFEDMN C=CCN(Cc1cccs1)C(=O)[C@H](C)N(C)CCCF ZINC000887140177 647228426 /nfs/dbraw/zinc/22/84/26/647228426.db2.gz TZXCIUOMAQFGRW-ZDUSSCGKSA-N 0 1 298.427 2.943 20 30 CFEDMN N#Cc1ccc(N2N=C3CCCCCC[C@H]3C2=O)nc1 ZINC000887295173 647262581 /nfs/dbraw/zinc/26/25/81/647262581.db2.gz ZGBQOLVRZYYEQG-GFCCVEGCSA-N 0 1 268.320 2.626 20 30 CFEDMN C[C@@H](N[C@H](C)c1ccnnc1)c1ccc(C#N)cc1 ZINC000924784972 648047542 /nfs/dbraw/zinc/04/75/42/648047542.db2.gz KAGIAADVCNHBNY-VXGBXAGGSA-N 0 1 252.321 2.760 20 30 CFEDMN COc1ccc(CN[C@H](C)CC(C)(C)C#N)c(OC)n1 ZINC000926458836 648495745 /nfs/dbraw/zinc/49/57/45/648495745.db2.gz USJGQPCXEIPMSO-LLVKDONJSA-N 0 1 277.368 2.517 20 30 CFEDMN C[C@H](NCC1(C#N)CCC1)c1cccc(-n2cnnc2)c1 ZINC000926627437 648554636 /nfs/dbraw/zinc/55/46/36/648554636.db2.gz OTPHVMIOMFXSDT-ZDUSSCGKSA-N 0 1 281.363 2.612 20 30 CFEDMN CC(C)n1cc([C@@H](C)N[C@H]2Cc3ccc(C#N)cc3C2)nn1 ZINC000926812394 648625183 /nfs/dbraw/zinc/62/51/83/648625183.db2.gz MPPVTQASPPMUDF-WBMJQRKESA-N 0 1 295.390 2.549 20 30 CFEDMN Cc1ccc(CN[C@@H]2CCCc3c[nH]nc32)cc1C#N ZINC000926960674 648671570 /nfs/dbraw/zinc/67/15/70/648671570.db2.gz GIXORDKXOYSANR-OAHLLOKOSA-N 0 1 266.348 2.757 20 30 CFEDMN Cn1nc(C2CC2)cc1CN[C@@H]1CCc2ccc(C#N)cc21 ZINC000927102664 648712005 /nfs/dbraw/zinc/71/20/05/648712005.db2.gz VBPBISRPZOAMDZ-QGZVFWFLSA-N 0 1 292.386 2.946 20 30 CFEDMN N#CCCc1ccc(NC(=O)[C@H]2CCc3[nH]cnc3C2)cc1 ZINC000928401637 648907031 /nfs/dbraw/zinc/90/70/31/648907031.db2.gz IBQNPFYCRFHXME-ZDUSSCGKSA-N 0 1 294.358 2.609 20 30 CFEDMN C#CCN1CCC(NC(=O)CCCC[C@@H](C)CC)CC1 ZINC000928653957 648938777 /nfs/dbraw/zinc/93/87/77/648938777.db2.gz HSNMLHXBMKLTQY-HNNXBMFYSA-N 0 1 278.440 2.807 20 30 CFEDMN C#CCN1CCC(NC(=O)[C@H](CC)CCCCC)CC1 ZINC000928654098 648938797 /nfs/dbraw/zinc/93/87/97/648938797.db2.gz NBEPOFBAJFDUSA-OAHLLOKOSA-N 0 1 278.440 2.807 20 30 CFEDMN C#CCN1CCC(NC(=O)[C@@H](CCCC)C(C)C)CC1 ZINC000928648668 648938933 /nfs/dbraw/zinc/93/89/33/648938933.db2.gz PQYPHEYTYNGXHQ-INIZCTEOSA-N 0 1 278.440 2.663 20 30 CFEDMN C#CCN1CCC(NC(=O)[C@@H](C)CCC(C)(C)C)CC1 ZINC000928654301 648939033 /nfs/dbraw/zinc/93/90/33/648939033.db2.gz WCRQJAGNQIYPHB-AWEZNQCLSA-N 0 1 278.440 2.663 20 30 CFEDMN C#CCN1CCC(NC(=O)Nc2c(C)cccc2CC)CC1 ZINC000929128358 648985766 /nfs/dbraw/zinc/98/57/66/648985766.db2.gz DDPBBQLJDREDSD-UHFFFAOYSA-N 0 1 299.418 2.777 20 30 CFEDMN CC[N@H+](Cc1ccc2ccccc2c1)C[C@H](O)CC#N ZINC000929341302 649034754 /nfs/dbraw/zinc/03/47/54/649034754.db2.gz OZICNWHXAYYWSX-QGZVFWFLSA-N 0 1 268.360 2.936 20 30 CFEDMN COC(=O)/C=C(/C)CN(Cc1ccc(C#N)cc1)C1CC1 ZINC000929368354 649039701 /nfs/dbraw/zinc/03/97/01/649039701.db2.gz ZEVYHAOGHNRRLD-LCYFTJDESA-N 0 1 284.359 2.642 20 30 CFEDMN N#Cc1cc(Cl)cc(CN2CCC[C@H](CCO)C2)c1 ZINC000929528148 649066778 /nfs/dbraw/zinc/06/67/78/649066778.db2.gz KOGIHBUITANOQF-GFCCVEGCSA-N 0 1 278.783 2.806 20 30 CFEDMN Cc1cc(C#N)cc(C)c1CN1CC[C@](O)(C(F)(F)F)C1 ZINC000929800585 649127066 /nfs/dbraw/zinc/12/70/66/649127066.db2.gz YQYZKPVCMCQOFL-CQSZACIVSA-N 0 1 298.308 2.674 20 30 CFEDMN COc1ccc([C@@H](C)NCc2cncc(C#N)c2)cc1F ZINC000930186575 649201815 /nfs/dbraw/zinc/20/18/15/649201815.db2.gz ZVNWWWSTSRNGOI-LLVKDONJSA-N 0 1 285.322 2.952 20 30 CFEDMN COc1ccc(C2(NCc3cncc(C#N)c3)CC2)cc1 ZINC000930222874 649209235 /nfs/dbraw/zinc/20/92/35/649209235.db2.gz UDVZWGNMTWBEFH-UHFFFAOYSA-N 0 1 279.343 2.741 20 30 CFEDMN CC(C)(C)[C@@H](NC[C@H](O)CC#N)c1ccc(F)cc1F ZINC000930233801 649211240 /nfs/dbraw/zinc/21/12/40/649211240.db2.gz UIGDFFIUOJLTQS-RISCZKNCSA-N 0 1 282.334 2.916 20 30 CFEDMN Cc1c2ccccc2oc1[C@@H](C)NC[C@H](O)CC#N ZINC000930257674 649216554 /nfs/dbraw/zinc/21/65/54/649216554.db2.gz JNMULMDZZJZDCM-VXGBXAGGSA-N 0 1 258.321 2.666 20 30 CFEDMN C#CCCCCCC[N@@H+]1CCC[C@H](c2n[n-]c(=O)o2)C1 ZINC000930306686 649226554 /nfs/dbraw/zinc/22/65/54/649226554.db2.gz KRUTVAQYOBDWJU-ZDUSSCGKSA-N 0 1 277.368 2.538 20 30 CFEDMN COC/C(C)=C/CN1CCC(C#N)(c2ccccn2)CC1 ZINC000930333041 649232396 /nfs/dbraw/zinc/23/23/96/649232396.db2.gz LCWWUKLTDBRBAZ-GIDUJCDVSA-N 0 1 285.391 2.531 20 30 CFEDMN N#CC[C@@H](O)CN1CCC([C@@H](F)c2ccccc2F)CC1 ZINC000930445147 649248234 /nfs/dbraw/zinc/24/82/34/649248234.db2.gz HHMLTXQZCCHYGJ-CZUORRHYSA-N 0 1 294.345 2.823 20 30 CFEDMN CCN(CCC#N)C(=O)c1cccc2[nH]c(C(F)F)nc21 ZINC000930464565 649254344 /nfs/dbraw/zinc/25/43/44/649254344.db2.gz VNVJXSHKIINQKA-UHFFFAOYSA-N 0 1 292.289 2.876 20 30 CFEDMN CCOC(=O)/C=C/CN(C)[C@H](C)c1cccc(C#N)c1 ZINC000930763673 649322220 /nfs/dbraw/zinc/32/22/20/649322220.db2.gz GZQNALWLPWVKDY-YSKGHYERSA-N 0 1 272.348 2.670 20 30 CFEDMN CCSc1ccccc1C[N@H+]1CC[C@@](O)(CC#N)C1 ZINC000930819712 649331324 /nfs/dbraw/zinc/33/13/24/649331324.db2.gz ZYDKQEMWRRWGCY-HNNXBMFYSA-N 0 1 276.405 2.649 20 30 CFEDMN CCSc1ccccc1CN1CC[C@@](O)(CC#N)C1 ZINC000930819712 649331328 /nfs/dbraw/zinc/33/13/28/649331328.db2.gz ZYDKQEMWRRWGCY-HNNXBMFYSA-N 0 1 276.405 2.649 20 30 CFEDMN C=CC[C@@H]1CCCC[C@@H]1NCc1nnc(OC)s1 ZINC000930918925 649349570 /nfs/dbraw/zinc/34/95/70/649349570.db2.gz DVTIRBIJHVFYGV-MNOVXSKESA-N 0 1 267.398 2.771 20 30 CFEDMN C=CCN(Cc1cc(C(=O)OCC)no1)C(C)(C)C ZINC000931017213 649365558 /nfs/dbraw/zinc/36/55/58/649365558.db2.gz NWLPBROZTABFOQ-UHFFFAOYSA-N 0 1 266.341 2.638 20 30 CFEDMN N#Cc1cc(Cl)ccc1CN1CCC[C@H]1c1nnc[nH]1 ZINC000931141200 649385863 /nfs/dbraw/zinc/38/58/63/649385863.db2.gz QLAFERYVLBTHHK-ZDUSSCGKSA-N 0 1 287.754 2.667 20 30 CFEDMN CN(Cc1ccc(N2CCOCC2)cc1)[C@@H]1CCC[C@@H]1C#N ZINC000931477184 649438257 /nfs/dbraw/zinc/43/82/57/649438257.db2.gz WDTDVKPDHMKMHV-SJLPKXTDSA-N 0 1 299.418 2.647 20 30 CFEDMN CC[C@H](C)[C@H](C(=O)OC)N(C)CCc1cccc(C#N)c1 ZINC000931511068 649444346 /nfs/dbraw/zinc/44/43/46/649444346.db2.gz WUXAQZKDPGKELL-XJKSGUPXSA-N 0 1 288.391 2.620 20 30 CFEDMN C#CCC1(NCc2coc(C(C)(C)C)n2)CCOCC1 ZINC000931761003 649485441 /nfs/dbraw/zinc/48/54/41/649485441.db2.gz OLPCZDOBFFVWEM-UHFFFAOYSA-N 0 1 276.380 2.634 20 30 CFEDMN Cn1ccc(C2CCN(Cc3cccc(C#N)c3F)CC2)n1 ZINC000932144943 649550326 /nfs/dbraw/zinc/55/03/26/649550326.db2.gz ZJZSHQNJYIMUJO-UHFFFAOYSA-N 0 1 298.365 2.810 20 30 CFEDMN Cn1ccc(C2CCN(Cc3ccc(C#N)cc3F)CC2)n1 ZINC000932149386 649550826 /nfs/dbraw/zinc/55/08/26/649550826.db2.gz NFNKPJXSZQHENK-UHFFFAOYSA-N 0 1 298.365 2.810 20 30 CFEDMN C#CC[N@H+](Cc1cc(-c2cnn(C)c2C)no1)C(C)(C)C ZINC000932462712 649605521 /nfs/dbraw/zinc/60/55/21/649605521.db2.gz CTGNUSHQEDLRQH-UHFFFAOYSA-N 0 1 286.379 2.617 20 30 CFEDMN C#CCN(Cc1cc(-c2cnn(C)c2C)no1)C(C)(C)C ZINC000932462712 649605525 /nfs/dbraw/zinc/60/55/25/649605525.db2.gz CTGNUSHQEDLRQH-UHFFFAOYSA-N 0 1 286.379 2.617 20 30 CFEDMN CC[N@@H+](CCCCC(C)(C)C#N)C(C)(C)C(=O)OC ZINC000933193619 649678819 /nfs/dbraw/zinc/67/88/19/649678819.db2.gz QGVVIFNITVDMQH-UHFFFAOYSA-N 0 1 268.401 2.980 20 30 CFEDMN C=CCCCCCN1CCOC[C@@H]1[C@H]1CC[C@@H](COC)O1 ZINC000933202092 649679292 /nfs/dbraw/zinc/67/92/92/649679292.db2.gz RXLBSVNQDJHQSW-GVDBMIGSSA-N 0 1 297.439 2.628 20 30 CFEDMN C#CCC1(NCc2ncnn2CC(C)C)CCCCC1 ZINC000933264756 649683732 /nfs/dbraw/zinc/68/37/32/649683732.db2.gz CNNSYERCFSXFRN-UHFFFAOYSA-N 0 1 274.412 2.750 20 30 CFEDMN C#CCC1(NCc2nnc(C)n2C2CC2)CCCCC1 ZINC000933264908 649683745 /nfs/dbraw/zinc/68/37/45/649683745.db2.gz JNNVTTVNLHYJEO-UHFFFAOYSA-N 0 1 272.396 2.737 20 30 CFEDMN Cc1ccc(CN(C)Cc2cccc(=O)[nH]2)cc1C#N ZINC000933400713 649691842 /nfs/dbraw/zinc/69/18/42/649691842.db2.gz AGHLSNCWFXXXHL-UHFFFAOYSA-N 0 1 267.332 2.599 20 30 CFEDMN C=C(Cl)CN[C@@](C)(CO)Cc1ccc(Cl)cc1 ZINC000933449773 649694496 /nfs/dbraw/zinc/69/44/96/649694496.db2.gz QKSLWHXIUODXBH-CYBMUJFWSA-N 0 1 274.191 2.976 20 30 CFEDMN C#CCCCNC(=O)c1cccc2nc(C(F)F)[nH]c21 ZINC000933691225 649714546 /nfs/dbraw/zinc/71/45/46/649714546.db2.gz NCMOPLVMYBBZTM-UHFFFAOYSA-N 0 1 277.274 2.644 20 30 CFEDMN CO[C@@H]1CC[C@H]1N(C)CC#Cc1cccc(Cl)c1 ZINC000934104967 649749721 /nfs/dbraw/zinc/74/97/21/649749721.db2.gz LTWCRFHCXJOVAV-HUUCEWRRSA-N 0 1 263.768 2.801 20 30 CFEDMN C=CC[C@H]1CCN1CC(=O)N[C@H](C)c1ccccc1OC ZINC000934470049 649790260 /nfs/dbraw/zinc/79/02/60/649790260.db2.gz CAIUFBGJOSGPMH-KGLIPLIRSA-N 0 1 288.391 2.523 20 30 CFEDMN C=CC[C@@H]1CCN1CC(=O)N(C)[C@H](C)c1ccc(F)cc1 ZINC000934470712 649790540 /nfs/dbraw/zinc/79/05/40/649790540.db2.gz DYYHXEUAWMOJEP-CZUORRHYSA-N 0 1 290.382 2.996 20 30 CFEDMN Oc1cccc(C=Nn2c(=S)[nH]nc2-c2ccco2)c1 ZINC000254339519 651086233 /nfs/dbraw/zinc/08/62/33/651086233.db2.gz DCISKFJYJIPDDA-UHFFFAOYSA-N 0 1 286.316 2.788 20 30 CFEDMN C#CCCN1CCC[C@@H](NC(=O)c2sccc2Cl)C1 ZINC001007397296 651134242 /nfs/dbraw/zinc/13/42/42/651134242.db2.gz QXCDKBIKBJYOMK-LLVKDONJSA-N 0 1 296.823 2.619 20 30 CFEDMN C=C(C)CN1CCC[C@H](NC(=O)c2cc(F)ccc2C)C1 ZINC001008095245 651142064 /nfs/dbraw/zinc/14/20/64/651142064.db2.gz JYYAWABZBZLVFN-HNNXBMFYSA-N 0 1 290.382 2.904 20 30 CFEDMN C=CCN1CCC[C@H](NC(=O)Cc2cc3ccccc3o2)C1 ZINC001008121221 651142659 /nfs/dbraw/zinc/14/26/59/651142659.db2.gz IDEOSOANVSRKFP-HNNXBMFYSA-N 0 1 298.386 2.742 20 30 CFEDMN C=CCN1CCC[C@@H](NC(=O)c2cc3cc(C)ccc3[nH]2)C1 ZINC001008138017 651142885 /nfs/dbraw/zinc/14/28/85/651142885.db2.gz JAZDSHQXSMHDPM-OAHLLOKOSA-N 0 1 297.402 2.857 20 30 CFEDMN C=C(C)CN1CCC[C@H](NC(=O)[C@@H]2CCCC2(C)C)C1 ZINC001008226031 651144943 /nfs/dbraw/zinc/14/49/43/651144943.db2.gz QFWUODSGDNOLTE-GJZGRUSLSA-N 0 1 278.440 2.969 20 30 CFEDMN C=CCN1CCC[C@@H](NC(=O)[C@H]2CCCC2(C)C)C1 ZINC001008225072 651145231 /nfs/dbraw/zinc/14/52/31/651145231.db2.gz MHGTXIKPZUPPLC-ZIAGYGMSSA-N 0 1 264.413 2.579 20 30 CFEDMN C=CCN1CCC[C@@H](NC(=O)c2ccccc2CC)C1 ZINC001008329261 651146475 /nfs/dbraw/zinc/14/64/75/651146475.db2.gz IIVXDNQGHYJYSZ-OAHLLOKOSA-N 0 1 272.392 2.629 20 30 CFEDMN C=C(C)CN1CCC[C@H](NC(=O)c2ccc(F)c(C)c2)C1 ZINC001008342935 651146642 /nfs/dbraw/zinc/14/66/42/651146642.db2.gz YWAOEGYYRARJSI-HNNXBMFYSA-N 0 1 290.382 2.904 20 30 CFEDMN C=CCN1CCC[C@@H](NC(=O)c2cc3ccccc3n2C)C1 ZINC001008345836 651147236 /nfs/dbraw/zinc/14/72/36/651147236.db2.gz YJAJZZAOCODMMK-OAHLLOKOSA-N 0 1 297.402 2.559 20 30 CFEDMN C=CCN1CCC[C@H](NC(=O)[C@H](C)c2ccsc2)C1 ZINC001008516288 651150802 /nfs/dbraw/zinc/15/08/02/651150802.db2.gz HANGHACBRWSMGZ-OCCSQVGLSA-N 0 1 278.421 2.618 20 30 CFEDMN C=CCN1CCC[C@H](NC(=O)c2ccc(C)cc2F)C1 ZINC001008656240 651151329 /nfs/dbraw/zinc/15/13/29/651151329.db2.gz ZVVWCBHGRFSMMH-ZDUSSCGKSA-N 0 1 276.355 2.514 20 30 CFEDMN C=CCN1CCC[C@H](NC(=O)[C@H](C)c2cccc(C)c2)C1 ZINC001008691598 651152649 /nfs/dbraw/zinc/15/26/49/651152649.db2.gz YUHYZHKUNWHBBI-WBVHZDCISA-N 0 1 286.419 2.865 20 30 CFEDMN C=CCN1CCC[C@@H](NC(=O)c2csc(Cl)c2)C1 ZINC001008761636 651153588 /nfs/dbraw/zinc/15/35/88/651153588.db2.gz QBYUNKKMONCIBE-LLVKDONJSA-N 0 1 284.812 2.782 20 30 CFEDMN C=CCN1CCC[C@@H](NC(=O)[C@@H](C)c2cc(C)oc2C)C1 ZINC001008891674 651154264 /nfs/dbraw/zinc/15/42/64/651154264.db2.gz HOVQEXGBXYDIPM-DZGCQCFKSA-N 0 1 290.407 2.767 20 30 CFEDMN C=CCN1CCC[C@H](NC(=O)[C@@H]2C[C@H]2c2cccc(C)c2)C1 ZINC001008836773 651154494 /nfs/dbraw/zinc/15/44/94/651154494.db2.gz WSTRCHCGJKGXHL-OKZBNKHCSA-N 0 1 298.430 2.865 20 30 CFEDMN C=C(C)CN1CCC[C@@H](NC(=O)[C@H]2CC23CCCC3)C1 ZINC001009080816 651156251 /nfs/dbraw/zinc/15/62/51/651156251.db2.gz XQTAOCCRJFEZSY-HUUCEWRRSA-N 0 1 276.424 2.723 20 30 CFEDMN C=CCN1CCC[C@@H](NC(=O)Cc2ccccc2Cl)C1 ZINC001009438438 651160793 /nfs/dbraw/zinc/16/07/93/651160793.db2.gz XFRRLWPIFLODNK-CQSZACIVSA-N 0 1 292.810 2.649 20 30 CFEDMN C=C(C)CN1CCC[C@H](NC(=O)c2ccc3c(c2)CCC3)C1 ZINC001009457632 651161197 /nfs/dbraw/zinc/16/11/97/651161197.db2.gz JHLNLTYZCYZYMT-SFHVURJKSA-N 0 1 298.430 2.946 20 30 CFEDMN C=C(C)CN1CCC[C@H](NC(=O)c2c(C)nsc2C)C1 ZINC001009647139 651162697 /nfs/dbraw/zinc/16/26/97/651162697.db2.gz HMXNTOSFBWQSHG-ZDUSSCGKSA-N 0 1 293.436 2.530 20 30 CFEDMN C=CCN1CCC[C@H](NC(=O)c2ccc(CF)cc2)C1 ZINC001009667608 651163439 /nfs/dbraw/zinc/16/34/39/651163439.db2.gz DJNJBYHTOOGACR-HNNXBMFYSA-N 0 1 276.355 2.536 20 30 CFEDMN C=C(C)CN1CC[C@H](NC(=O)c2ccc(C)nc2C2CC2)C1 ZINC001015418540 651200830 /nfs/dbraw/zinc/20/08/30/651200830.db2.gz RQKWIZOOLPTMCH-HNNXBMFYSA-N 0 1 299.418 2.648 20 30 CFEDMN C=CCN1CC[C@H](NC(=O)C(C2CCC2)C2CCC2)C1 ZINC001015618962 651206465 /nfs/dbraw/zinc/20/64/65/651206465.db2.gz DGMQVVKUUWKGBK-HNNXBMFYSA-N 0 1 276.424 2.579 20 30 CFEDMN C=CCN1CC[C@H](NC(=O)c2ccc(C)c(Cl)c2)C1 ZINC001015651412 651207669 /nfs/dbraw/zinc/20/76/69/651207669.db2.gz HVSKCWOKJCZIIR-ZDUSSCGKSA-N 0 1 278.783 2.639 20 30 CFEDMN C=C(C)CN1CC[C@@H](NC(=O)c2ccc(C(C)C)cn2)C1 ZINC001015704409 651210197 /nfs/dbraw/zinc/21/01/97/651210197.db2.gz AZMUCLMJNNMZJX-OAHLLOKOSA-N 0 1 287.407 2.585 20 30 CFEDMN C=C(C)CN1CC[C@@H](NC(=O)c2ccsc2Cl)C1 ZINC001015795328 651214432 /nfs/dbraw/zinc/21/44/32/651214432.db2.gz ULOFMGJVUZTSOO-SNVBAGLBSA-N 0 1 284.812 2.782 20 30 CFEDMN C=CCN1CC[C@H](NC(=O)c2[nH]c3ccc(C)cc3c2C)C1 ZINC001015927370 651217704 /nfs/dbraw/zinc/21/77/04/651217704.db2.gz JBXXSDGLNYCOBU-AWEZNQCLSA-N 0 1 297.402 2.775 20 30 CFEDMN C#CCCN1CC[C@@H](NC(=O)c2cc(C(C)C)oc2C)C1 ZINC001015929323 651217879 /nfs/dbraw/zinc/21/78/79/651217879.db2.gz SKJPLLBXVJSVPP-CQSZACIVSA-N 0 1 288.391 2.539 20 30 CFEDMN CC#CCN1CC[C@H](NC(=O)C[C@H]2CCCCC2(C)C)C1 ZINC001016422639 651233803 /nfs/dbraw/zinc/23/38/03/651233803.db2.gz AGXCYAMTEAZTQY-CVEARBPZSA-N 0 1 290.451 2.807 20 30 CFEDMN C=C(Cl)CN1CCC2(C[C@@H]2NC(=O)CC2CCC2)CC1 ZINC001016544835 651236829 /nfs/dbraw/zinc/23/68/29/651236829.db2.gz HTDOCFVQEFKUEJ-AWEZNQCLSA-N 0 1 296.842 2.900 20 30 CFEDMN C=C(Cl)CN1CCC2(C[C@H]2NC(=O)C2CC(C)C2)CC1 ZINC001016567253 651237466 /nfs/dbraw/zinc/23/74/66/651237466.db2.gz OOGQNFHFUIIKCL-UXUKBGGZSA-N 0 1 296.842 2.756 20 30 CFEDMN C=CCCN1C[C@H]2CC[C@@H](C1)N2C(=O)c1ccc(C)s1 ZINC001017309600 651249472 /nfs/dbraw/zinc/24/94/72/651249472.db2.gz OJGFNPAPVRCTNK-OKILXGFUSA-N 0 1 290.432 2.921 20 30 CFEDMN C=CCCN1C[C@H]2CC[C@@H](C1)N2C(=O)c1cc(Cl)c[nH]1 ZINC001017352557 651250510 /nfs/dbraw/zinc/25/05/10/651250510.db2.gz QWULOFPXSFBUMZ-BETUJISGSA-N 0 1 293.798 2.533 20 30 CFEDMN C=CCCN1C[C@H]2CC[C@@H](C1)N2C(=O)c1cccc(CC)n1 ZINC001017623086 651254961 /nfs/dbraw/zinc/25/49/61/651254961.db2.gz NJABEENWYZYICG-IYBDPMFKSA-N 0 1 299.418 2.509 20 30 CFEDMN C=CCCN1C[C@H]2CC[C@@H](C1)N2C(=O)[C@]1(C)C[C@H]2C[C@H]2C1 ZINC001017763270 651257447 /nfs/dbraw/zinc/25/74/47/651257447.db2.gz FWOLRBWBPDJEQM-NUALHRCUSA-N 0 1 288.435 2.674 20 30 CFEDMN C=C(Cl)CN[C@H]1CCN(C(=O)[C@@H]2CCCC23CC3)C1 ZINC001019034971 651278541 /nfs/dbraw/zinc/27/85/41/651278541.db2.gz VBKXKDRIJGEKMQ-STQMWFEESA-N 0 1 282.815 2.510 20 30 CFEDMN C=C(Cl)CN[C@H]1CCN(C(=O)C(C)(C)C(=C)C)C1 ZINC001019232230 651280911 /nfs/dbraw/zinc/28/09/11/651280911.db2.gz PYIJLHLKBAOVMT-LBPRGKRZSA-N 0 1 270.804 2.532 20 30 CFEDMN C=C(Cl)CN[C@H]1CCN(C(=O)[C@@H](C)c2ccsc2)C1 ZINC001019371378 651284248 /nfs/dbraw/zinc/28/42/48/651284248.db2.gz GOZKCCQPPHJUGR-AAEUAGOBSA-N 0 1 298.839 2.795 20 30 CFEDMN C=C(Cl)CN[C@H]1CCN(C(=O)C(C)(CC)CC)C1 ZINC001019794056 651291824 /nfs/dbraw/zinc/29/18/24/651291824.db2.gz NWNLYZNQDOBUPR-LBPRGKRZSA-N 0 1 272.820 2.756 20 30 CFEDMN CC(C)CN1CCN(c2nc(C(C)C)ccc2C#N)CC1 ZINC001164653252 719330193 /nfs/dbraw/zinc/33/01/93/719330193.db2.gz SMPJGAQALBZKGT-UHFFFAOYSA-N 0 1 286.423 2.855 20 30 CFEDMN C=C(C)CN1CC[C@@H]1CN(C)C(=O)[C@H]1CC12CCCC2 ZINC001085909169 782200414 /nfs/dbraw/zinc/20/04/14/782200414.db2.gz BVGVLRZOFYWLGD-HUUCEWRRSA-N 0 1 276.424 2.676 20 30 CFEDMN C=CCCN1CC[C@@H]1CN(C)C(=O)c1cc(C)c(CC)o1 ZINC001085921446 782202999 /nfs/dbraw/zinc/20/29/99/782202999.db2.gz CTUPPLKFINZXAR-CQSZACIVSA-N 0 1 290.407 2.873 20 30 CFEDMN C=C(C)CN1CC[C@H]1CN(C)C(=O)c1cc(F)cc(F)c1 ZINC001085961282 782221355 /nfs/dbraw/zinc/22/13/55/782221355.db2.gz BNASJMPKZRMOCJ-HNNXBMFYSA-N 0 1 294.345 2.687 20 30 CFEDMN C=C(C)CN1CC[C@H]1CN(C)C(=O)[C@@H]1CC2CCC1CC2 ZINC001085989244 782227930 /nfs/dbraw/zinc/22/79/30/782227930.db2.gz MBZLHZPJDQBHNF-SJJHQCBESA-N 0 1 290.451 2.922 20 30 CFEDMN C=C(C)CN1CC[C@H]1CN(C)C(=O)[C@H]1CC2CCC1CC2 ZINC001085989243 782228091 /nfs/dbraw/zinc/22/80/91/782228091.db2.gz MBZLHZPJDQBHNF-GQGLESIBSA-N 0 1 290.451 2.922 20 30 CFEDMN C=CCN1CC[C@@H]1CN(C)C(=O)c1c[nH]c2ccc(C)cc21 ZINC001085990453 782228910 /nfs/dbraw/zinc/22/89/10/782228910.db2.gz QBBCSSNDTNDTLL-CQSZACIVSA-N 0 1 297.402 2.809 20 30 CFEDMN C#CCCN1CC[C@H]1CN(C)C(=O)[C@H]1CCCC(C)(C)C1 ZINC001085992489 782229618 /nfs/dbraw/zinc/22/96/18/782229618.db2.gz LHCDPYUZBQDTGC-HOTGVXAUSA-N 0 1 290.451 2.759 20 30 CFEDMN C=CCCN1CC[C@@H]1CN(C)C(=O)c1ccc(F)s1 ZINC001085997576 782234754 /nfs/dbraw/zinc/23/47/54/782234754.db2.gz XGBATUOZJZYYPP-LLVKDONJSA-N 0 1 282.384 2.610 20 30 CFEDMN C#CCN(C)CCNC(=O)c1ccc(C(C)C)c(Cl)c1 ZINC001266365030 770032180 /nfs/dbraw/zinc/03/21/80/770032180.db2.gz KNZIUJPBQMFJDP-UHFFFAOYSA-N 0 1 292.810 2.758 20 30 CFEDMN C=C(Cl)CN[C@@H](CNC(=O)C[C@H]1C=CCC1)C1CC1 ZINC001266395869 770073664 /nfs/dbraw/zinc/07/36/64/770073664.db2.gz WRAXVYSKLYKDSA-JSGCOSHPSA-N 0 1 282.815 2.580 20 30 CFEDMN C=CCN1CCC[C@H](NC(=O)C2(CCC)CCC2)C1 ZINC001268216717 776709947 /nfs/dbraw/zinc/70/99/47/776709947.db2.gz OHGGTCMAJKRNBN-AWEZNQCLSA-N 0 1 264.413 2.723 20 30 CFEDMN C#C[C@H]1CCC[C@H]1Oc1[nH]c(=O)nc2cccc(OC)c21 ZINC001229240839 776763156 /nfs/dbraw/zinc/76/31/56/776763156.db2.gz YRBZOYUSCRKIOX-CMPLNLGQSA-N 0 1 284.315 2.525 20 30 CFEDMN C#CCCN1CC[C@H](N(C)C(=O)c2cc(C)c(C)s2)C1 ZINC001033644217 780742073 /nfs/dbraw/zinc/74/20/73/780742073.db2.gz KEZKTOSTHJMHMP-AWEZNQCLSA-N 0 1 290.432 2.535 20 30 CFEDMN C=CCNC(=O)c1ccc(-c2cc(F)c(O)cc2F)nc1 ZINC001206767973 769872626 /nfs/dbraw/zinc/87/26/26/769872626.db2.gz MVABAKJAXKMXHQ-UHFFFAOYSA-N 0 1 290.269 2.648 20 30 CFEDMN C=C(C)C[N@H+]1CC[C@@H]1CNC(=O)c1cc(C)c(F)c(C)c1 ZINC001039024816 769880036 /nfs/dbraw/zinc/88/00/36/769880036.db2.gz GTCNSNSXNWZBIH-OAHLLOKOSA-N 0 1 290.382 2.823 20 30 CFEDMN C=C(C)CN1CC[C@@H]1CNC(=O)c1cc(C)c(F)c(C)c1 ZINC001039024816 769880045 /nfs/dbraw/zinc/88/00/45/769880045.db2.gz GTCNSNSXNWZBIH-OAHLLOKOSA-N 0 1 290.382 2.823 20 30 CFEDMN C[C@@H]1CCN(CCCc2cccc(C#N)c2)CCC1=O ZINC001208844914 769945245 /nfs/dbraw/zinc/94/52/45/769945245.db2.gz MNDSJVPSCFYPID-CQSZACIVSA-N 0 1 270.376 2.792 20 30 CFEDMN N#Cc1cccc(CCCN2CC(C(F)F)C2)c1 ZINC001208860099 769947365 /nfs/dbraw/zinc/94/73/65/769947365.db2.gz HONAQFAXSZSTMI-UHFFFAOYSA-N 0 1 250.292 2.688 20 30 CFEDMN N#Cc1ccc(CCN2CCC(=O)[C@@H]3CCCC[C@@H]32)cc1 ZINC001208921080 769966394 /nfs/dbraw/zinc/96/63/94/769966394.db2.gz XNCPMVASGXGICH-SJORKVTESA-N 0 1 282.387 2.934 20 30 CFEDMN C=CCN(CCN(C)Cc1cccc(F)c1)C(=O)OCC ZINC001209017530 769973209 /nfs/dbraw/zinc/97/32/09/769973209.db2.gz SJAIIBOSVBMDSQ-UHFFFAOYSA-N 0 1 294.370 2.902 20 30 CFEDMN C#CCCCCCC(=O)N[C@H]1CCN(C[C@@H](F)CC)C1 ZINC001266336689 769979491 /nfs/dbraw/zinc/97/94/91/769979491.db2.gz UKYXWOLVQBPFTE-GJZGRUSLSA-N 0 1 282.403 2.509 20 30 CFEDMN C=CCN1CC[C@@H](NC(=O)CCCc2ccc(C)cc2)C1 ZINC001266339659 769985563 /nfs/dbraw/zinc/98/55/63/769985563.db2.gz VEJUAEQDEHLGSU-QGZVFWFLSA-N 0 1 286.419 2.694 20 30 CFEDMN C=CCN1CC[C@@H](NC(=O)[C@H](C)CC2CCCCC2)C1 ZINC001266345865 769995217 /nfs/dbraw/zinc/99/52/17/769995217.db2.gz ZHBRNDQBQGWGMB-GDBMZVCRSA-N 0 1 278.440 2.969 20 30 CFEDMN C=C(Cl)CN[C@H](CNC(=O)C[C@@H]1C=CCC1)C1CC1 ZINC001266395871 770073393 /nfs/dbraw/zinc/07/33/93/770073393.db2.gz WRAXVYSKLYKDSA-TZMCWYRMSA-N 0 1 282.815 2.580 20 30 CFEDMN CC#CCN(CC)CCNC(=O)[C@@]1(C)CCC[C@H]1CC ZINC001266398626 770086917 /nfs/dbraw/zinc/08/69/17/770086917.db2.gz BDOVZHXXYGGCMG-WBVHZDCISA-N 0 1 278.440 2.664 20 30 CFEDMN CC#CCN(CC)CCNC(=O)[C@H]1CCCC[C@@H]1CC ZINC001266425711 770125296 /nfs/dbraw/zinc/12/52/96/770125296.db2.gz ZUKXQRFQWSVWGE-HOTGVXAUSA-N 0 1 278.440 2.664 20 30 CFEDMN CC#CCN1CCC[C@H]1CNC(=O)[C@@H](CC)CCCC ZINC001266446291 770163594 /nfs/dbraw/zinc/16/35/94/770163594.db2.gz COHKGYCPKOQIJW-HOTGVXAUSA-N 0 1 278.440 2.807 20 30 CFEDMN Cc1cc(N)ncc1Nc1ccc(F)c(CC#N)c1 ZINC001209972227 770179516 /nfs/dbraw/zinc/17/95/16/770179516.db2.gz IIISPEKDBRVRAN-UHFFFAOYSA-N 0 1 256.284 2.921 20 30 CFEDMN C=CCCCC(=O)NC[C@H]1CCCN1C/C=C\Cl ZINC001266480309 770197930 /nfs/dbraw/zinc/19/79/30/770197930.db2.gz OBJVZUUBGDDDOU-OYVUYXNMSA-N 0 1 270.804 2.676 20 30 CFEDMN C=CC[C@H](C=C)Oc1nc(Cl)nc2[nH]ncc21 ZINC000706072909 770198386 /nfs/dbraw/zinc/19/83/86/770198386.db2.gz IEVHBJXPANVYKO-ZETCQYMHSA-N 0 1 250.689 2.516 20 30 CFEDMN C[N@@H+]1CC[C@H](Nc2cc(/C=N/[O-])cc(C(F)(F)F)c2)C1 ZINC001167280638 770205012 /nfs/dbraw/zinc/20/50/12/770205012.db2.gz ACWDOQCPZGIUFI-MIUNIBSDSA-N 0 1 287.285 2.630 20 30 CFEDMN C[N@H+]1CC[C@H](Nc2cc(/C=N/[O-])cc(C(F)(F)F)c2)C1 ZINC001167280638 770205018 /nfs/dbraw/zinc/20/50/18/770205018.db2.gz ACWDOQCPZGIUFI-MIUNIBSDSA-N 0 1 287.285 2.630 20 30 CFEDMN C#CCN1CCC[C@@H]1CNC(=O)C(C)(C)CC(C)(C)C ZINC001266495179 770206843 /nfs/dbraw/zinc/20/68/43/770206843.db2.gz IKYPESXIZAYRPJ-CQSZACIVSA-N 0 1 278.440 2.663 20 30 CFEDMN O/N=C/c1cc(NCc2cccnn2)cc(C(F)(F)F)c1 ZINC001167330864 770305226 /nfs/dbraw/zinc/30/52/26/770305226.db2.gz ZRSONMYWBFQRKR-FBCYGCLPSA-N 0 1 296.252 2.916 20 30 CFEDMN CN(C)c1nc(=O)cc(Nc2cc(Cl)cc(C#N)c2)[nH]1 ZINC001210536807 770307653 /nfs/dbraw/zinc/30/76/53/770307653.db2.gz PMJZQEXVWDNENB-UHFFFAOYSA-N 0 1 289.726 2.517 20 30 CFEDMN C#CCCCC(=O)NCCN(Cc1ccsc1)C1CC1 ZINC001266591092 770390494 /nfs/dbraw/zinc/39/04/94/770390494.db2.gz ZEHSGSJKDIZZHB-UHFFFAOYSA-N 0 1 290.432 2.632 20 30 CFEDMN Cc1c(C(=O)/C=C\c2cc(F)c(O)c(F)c2)cnn1C ZINC000588397025 770507683 /nfs/dbraw/zinc/50/76/83/770507683.db2.gz JDGNGUUCXIFIEI-ARJAWSKDSA-N 0 1 278.258 2.608 20 30 CFEDMN C=CCN1CC[C@H]2CC[C@@H](C1)N2C(=O)[C@](C)(C=C)CC ZINC001039430005 770669134 /nfs/dbraw/zinc/66/91/34/770669134.db2.gz LFASWNXOYZEPRQ-HLLBOEOZSA-N 0 1 276.424 2.840 20 30 CFEDMN C#CCCCCCC(=O)NC[C@@H]1CCCCN1CC#CC ZINC001266848907 770671365 /nfs/dbraw/zinc/67/13/65/770671365.db2.gz ICRAVGGTGYBUNE-KRWDZBQOSA-N 0 1 288.435 2.564 20 30 CFEDMN CC#CCN1CCCC[C@H]1CNC(=O)C[C@@H]1CC=CCC1 ZINC001266849899 770672471 /nfs/dbraw/zinc/67/24/71/770672471.db2.gz PGFYOQUIJRKDIX-SJORKVTESA-N 0 1 288.435 2.727 20 30 CFEDMN C#CCN1CCCC[C@@H]1CNC(=O)[C@H](CC)CC(C)C ZINC001266857705 770685870 /nfs/dbraw/zinc/68/58/70/770685870.db2.gz OLWZCZJDOVLEKA-HZPDHXFCSA-N 0 1 278.440 2.663 20 30 CFEDMN C#CCN1CC[C@H]2CC[C@@H](C1)N2C(=O)c1ccc(CC)cc1 ZINC001039465732 770780067 /nfs/dbraw/zinc/78/00/67/770780067.db2.gz WYJYHVYLEPYIOX-MSOLQXFVSA-N 0 1 296.414 2.561 20 30 CFEDMN COc1ccc(C(=O)/C=C\c2ccc(F)nc2)c(O)c1 ZINC000588524156 770929910 /nfs/dbraw/zinc/92/99/10/770929910.db2.gz ZRELTZPEPNALRJ-KXFIGUGUSA-N 0 1 273.263 2.831 20 30 CFEDMN O=C(/C=C\c1ccc(F)nc1)c1ccc(O)cc1O ZINC000588524118 770930415 /nfs/dbraw/zinc/93/04/15/770930415.db2.gz VTUTUNATFSXVRD-KTAJNNJTSA-N 0 1 259.236 2.528 20 30 CFEDMN C=C(C)CCN1CC[C@H]1CNC(=O)c1cc(C)cs1 ZINC001038243084 773195484 /nfs/dbraw/zinc/19/54/84/773195484.db2.gz RDBHHCZOYLYZGY-ZDUSSCGKSA-N 0 1 278.421 2.827 20 30 CFEDMN CC(C(=O)NCCN(C)Cc1cccc(C#N)c1)=C1CCC1 ZINC001267193781 773198607 /nfs/dbraw/zinc/19/86/07/773198607.db2.gz CSWWWNKIGLFVRB-UHFFFAOYSA-N 0 1 297.402 2.607 20 30 CFEDMN CC#CCN(C)CCNC(=O)c1ccc(C(C)(C)C)cc1 ZINC001267227098 773229436 /nfs/dbraw/zinc/22/94/36/773229436.db2.gz CGFXZQJFOKUGKE-UHFFFAOYSA-N 0 1 286.419 2.669 20 30 CFEDMN CC#CCN(CC)CCNC(=O)[C@H]1CCCC[C@@H]1C1CC1 ZINC001267246471 773256304 /nfs/dbraw/zinc/25/63/04/773256304.db2.gz ARJSECTXDWPNCU-SJORKVTESA-N 0 1 290.451 2.664 20 30 CFEDMN C=CCC(C)(C)C(=O)NCCN(CC)Cc1ccccn1 ZINC001267250110 775098920 /nfs/dbraw/zinc/09/89/20/775098920.db2.gz CXNRHENQICAOQR-UHFFFAOYSA-N 0 1 289.423 2.622 20 30 CFEDMN C#CC[N@@H+](CC)CCNC(=O)C[C@H](C)c1ccccc1C ZINC001267251136 775103550 /nfs/dbraw/zinc/10/35/50/775103550.db2.gz WFUBCUDHCIFAIX-INIZCTEOSA-N 0 1 286.419 2.560 20 30 CFEDMN C#CCN(CC)CCNC(=O)C[C@H](C)c1ccccc1C ZINC001267251136 775103554 /nfs/dbraw/zinc/10/35/54/775103554.db2.gz WFUBCUDHCIFAIX-INIZCTEOSA-N 0 1 286.419 2.560 20 30 CFEDMN C/C=C(\C)C(=O)NC[C@H]1CCCN1Cc1ccc(C#N)cc1 ZINC001267264754 775122226 /nfs/dbraw/zinc/12/22/26/775122226.db2.gz WFCBNKNCRASUGJ-UEHGYGDOSA-N 0 1 297.402 2.605 20 30 CFEDMN C=C(C)CN1CC[C@H]1CNC(=O)[C@@H](CC)CC(F)(F)F ZINC001276954772 775134010 /nfs/dbraw/zinc/13/40/10/775134010.db2.gz CLGWZNGVZGHKQF-RYUDHWBXSA-N 0 1 292.345 2.732 20 30 CFEDMN CC#CCN1CCC[C@H]1CNC(=O)CCc1ccccc1C ZINC001267275191 775139714 /nfs/dbraw/zinc/13/97/14/775139714.db2.gz DPKLKLDQRJKYHN-SFHVURJKSA-N 0 1 298.430 2.532 20 30 CFEDMN C=CCCCC(=O)NCC1CCN(C/C=C/Cl)CC1 ZINC001224277134 775143144 /nfs/dbraw/zinc/14/31/44/775143144.db2.gz RCRCLNYMIREJIW-WEVVVXLNSA-N 0 1 284.831 2.923 20 30 CFEDMN Cc1ccccc1C[N@@H+](C)Cc1cncc(C#N)c1 ZINC000721544196 775148194 /nfs/dbraw/zinc/14/81/94/775148194.db2.gz LAOITFVBXXXBLV-UHFFFAOYSA-N 0 1 251.333 2.894 20 30 CFEDMN Cc1ccccc1CN(C)Cc1cncc(C#N)c1 ZINC000721544196 775148198 /nfs/dbraw/zinc/14/81/98/775148198.db2.gz LAOITFVBXXXBLV-UHFFFAOYSA-N 0 1 251.333 2.894 20 30 CFEDMN C#CCN1CCC[C@@H]1CNC(=O)CC1CCC(C)(C)CC1 ZINC001267282878 775151428 /nfs/dbraw/zinc/15/14/28/775151428.db2.gz HGANAUZZPMDBQX-MRXNPFEDSA-N 0 1 290.451 2.807 20 30 CFEDMN C=C1O[C@@H](C)C(=O)C1OCCCc1ccccc1OC ZINC001224411361 775177023 /nfs/dbraw/zinc/17/70/23/775177023.db2.gz CDTNIIUIVGMGDP-NSHDSACASA-N 0 1 276.332 2.864 20 30 CFEDMN C=C(Cl)CN(CCCNC(=O)c1oncc1C)C(C)C ZINC001267335217 775220230 /nfs/dbraw/zinc/22/02/30/775220230.db2.gz YWDJXGIXPHVEJB-UHFFFAOYSA-N 0 1 299.802 2.566 20 30 CFEDMN C=CCC1(C(=O)NC[C@H]2CC[N@H+]2CC2CC2)CCCC1 ZINC001276986054 775229371 /nfs/dbraw/zinc/22/93/71/775229371.db2.gz PDLGPRDNDPDZFH-OAHLLOKOSA-N 0 1 276.424 2.723 20 30 CFEDMN C=C1O[C@H](CC)C(=O)C1OCCCc1ccncc1 ZINC001224949190 775314688 /nfs/dbraw/zinc/31/46/88/775314688.db2.gz ZIFUSTFZSOYUQK-CYBMUJFWSA-N 0 1 261.321 2.640 20 30 CFEDMN C=C(Cl)CNCCN(C)C(=O)[C@@H]1CCC[C@@H]1CC ZINC001267425407 775322275 /nfs/dbraw/zinc/32/22/75/775322275.db2.gz WQSUEWFDEFLDPD-QWHCGFSZSA-N 0 1 272.820 2.613 20 30 CFEDMN C=C1O[C@H](CC)C(=O)C1OCCCCC(=N)OCC ZINC001224965256 775323110 /nfs/dbraw/zinc/32/31/10/775323110.db2.gz IAJVOMHDHYPUHT-LLVKDONJSA-N 0 1 269.341 2.796 20 30 CFEDMN C#CCN[C@H](CNC(=O)C(C)(C)C1CCC1)c1ccccc1 ZINC001267521107 775418046 /nfs/dbraw/zinc/41/80/46/775418046.db2.gz VQDNLZOPGNTNGF-QGZVFWFLSA-N 0 1 298.430 2.893 20 30 CFEDMN C=CCN1CCCC[C@H]1CNC(=O)c1c(C)nsc1C ZINC001024816853 775429147 /nfs/dbraw/zinc/42/91/47/775429147.db2.gz QSEWRDGSGUOIJZ-ZDUSSCGKSA-N 0 1 293.436 2.530 20 30 CFEDMN CC#CCN1CC[C@H](N(CCC)C(=O)/C(C)=C/CC)C1 ZINC001267536891 775441587 /nfs/dbraw/zinc/44/15/87/775441587.db2.gz BXQNTYCRYYUCQG-LRQZKABGSA-N 0 1 276.424 2.679 20 30 CFEDMN CC#CCN1CC[C@H](N(CCC)C(=O)C[C@@H]2C=CCC2)C1 ZINC001267539775 775447941 /nfs/dbraw/zinc/44/79/41/775447941.db2.gz QCEAVSVTAVRHCO-SJORKVTESA-N 0 1 288.435 2.679 20 30 CFEDMN C=CCN1CC[C@@H]2CCN(C(=O)c3occc3Cl)C[C@@H]21 ZINC001042221806 775499190 /nfs/dbraw/zinc/49/91/90/775499190.db2.gz MRGHOANERDGLFT-YPMHNXCESA-N 0 1 294.782 2.655 20 30 CFEDMN N#Cc1cccc(CN2CCC[C@@](O)(CF)CC2)c1Cl ZINC001140808248 775500290 /nfs/dbraw/zinc/50/02/90/775500290.db2.gz NMVPPIGQCJOMJH-HNNXBMFYSA-N 0 1 296.773 2.898 20 30 CFEDMN N#Cc1ncccc1O[C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC001225670845 775550534 /nfs/dbraw/zinc/55/05/34/775550534.db2.gz OOSMUCJXLBIUOT-INIZCTEOSA-N 0 1 293.370 2.997 20 30 CFEDMN N#Cc1ccc(O[C@H]2CN3CCC2CC3)c(Cl)c1 ZINC001225726603 775573835 /nfs/dbraw/zinc/57/38/35/775573835.db2.gz FDEPFBCGCMYIMI-AWEZNQCLSA-N 0 1 262.740 2.685 20 30 CFEDMN C=C(C)CCC(=O)NCC1(NCc2cc(C)ns2)CC1 ZINC001277072028 775591648 /nfs/dbraw/zinc/59/16/48/775591648.db2.gz NXTGWDGCNPYUTD-UHFFFAOYSA-N 0 1 293.436 2.546 20 30 CFEDMN C=C(Cl)CN1CCC[C@@H]([C@H](C)NC(=O)C2CC=CC2)C1 ZINC001025371911 775625784 /nfs/dbraw/zinc/62/57/84/775625784.db2.gz LISITBZZABFJOG-DZGCQCFKSA-N 0 1 296.842 2.922 20 30 CFEDMN C=C(Cl)CN1CCC[C@H]([C@H](C)NC(=O)c2cc[nH]c2)C1 ZINC001025426548 775653352 /nfs/dbraw/zinc/65/33/52/775653352.db2.gz XCSGGKRQBQDCOT-JSGCOSHPSA-N 0 1 295.814 2.598 20 30 CFEDMN C#C[C@H](Oc1nc(C(F)(F)F)cc(=O)[nH]1)c1ccccc1 ZINC001225980672 775656195 /nfs/dbraw/zinc/65/61/95/775656195.db2.gz OGOOMAKGUNBOKG-JTQLQIEISA-N 0 1 294.232 2.954 20 30 CFEDMN C#C[C@@H](Oc1nc(C(F)(F)F)cc(=O)[nH]1)c1ccccc1 ZINC001225980677 775656974 /nfs/dbraw/zinc/65/69/74/775656974.db2.gz OGOOMAKGUNBOKG-SNVBAGLBSA-N 0 1 294.232 2.954 20 30 CFEDMN N#CC[C@H](Oc1cccc2[nH]nnc21)c1ccccc1 ZINC001225990503 775659468 /nfs/dbraw/zinc/65/94/68/775659468.db2.gz AURVFLJVTCYYAH-ZDUSSCGKSA-N 0 1 264.288 2.992 20 30 CFEDMN C=CCCCN1CC(NC(=O)C[C@@H](C)CCC)C1 ZINC001267642278 775730844 /nfs/dbraw/zinc/73/08/44/775730844.db2.gz AYZABRSKDQPVLO-ZDUSSCGKSA-N 0 1 252.402 2.579 20 30 CFEDMN CC#CCCCC(=O)NC1CN(CC2CCC(C)CC2)C1 ZINC001267656031 775753607 /nfs/dbraw/zinc/75/36/07/775753607.db2.gz CCKJWINXBYWRKD-UHFFFAOYSA-N 0 1 290.451 2.807 20 30 CFEDMN C=C(C)CN1CC(CNC(=O)CCc2cccc(C)c2)C1 ZINC001267687106 775777366 /nfs/dbraw/zinc/77/73/66/775777366.db2.gz WZQXHUMGWLJQOF-UHFFFAOYSA-N 0 1 286.419 2.552 20 30 CFEDMN C=C1CCC(C(=O)N[C@@H]2[C@H]3CN(C/C=C/Cl)C[C@H]32)CC1 ZINC001026012755 775800383 /nfs/dbraw/zinc/80/03/83/775800383.db2.gz KUWZMJPJBNSJGB-UEIFFSPCSA-N 0 1 294.826 2.532 20 30 CFEDMN Cc1cc(C#N)cc(Cl)c1O[C@@H]1CCCN(C)C1 ZINC001226594686 775885658 /nfs/dbraw/zinc/88/56/58/775885658.db2.gz BFXVLCADVSVRFR-GFCCVEGCSA-N 0 1 264.756 2.993 20 30 CFEDMN C=CC(C)(C)CC(=O)N(C)[C@H]1CCN(C[C@@H](F)CC)C1 ZINC001267764459 775894274 /nfs/dbraw/zinc/89/42/74/775894274.db2.gz VNYWMYJBMFPPGO-KBPBESRZSA-N 0 1 284.419 2.870 20 30 CFEDMN CCC1=C(Oc2nc3ccc(F)cc3[nH]2)C(=O)[C@@H](C)O1 ZINC001226702288 775927406 /nfs/dbraw/zinc/92/74/06/775927406.db2.gz YZPYDXIZIFEQLH-SSDOTTSWSA-N 0 1 276.267 2.690 20 30 CFEDMN C=CC[N@@H+]1CC[C@@H](N(CC)C(=O)[C@H](CC)CC(F)F)C1 ZINC001267785557 775930324 /nfs/dbraw/zinc/93/03/24/775930324.db2.gz GDXZKNPRWPILGW-CHWSQXEVSA-N 0 1 288.382 2.777 20 30 CFEDMN C=CCN1CC[C@@H](N(CC)C(=O)[C@H](CC)CC(F)F)C1 ZINC001267785557 775930337 /nfs/dbraw/zinc/93/03/37/775930337.db2.gz GDXZKNPRWPILGW-CHWSQXEVSA-N 0 1 288.382 2.777 20 30 CFEDMN C=C[C@@H](Oc1nc2[nH]cnc2c(=S)[nH]1)c1ccccc1 ZINC001226782146 775962369 /nfs/dbraw/zinc/96/23/69/775962369.db2.gz PMVGKZSZCIPBBL-SNVBAGLBSA-N 0 1 284.344 2.948 20 30 CFEDMN C=CCCCCCCN1Cc2n[nH]c(C(=O)N(C)C)c2C1 ZINC001277159358 775985344 /nfs/dbraw/zinc/98/53/44/775985344.db2.gz DPRIDGYKRSBFKT-UHFFFAOYSA-N 0 1 290.411 2.564 20 30 CFEDMN C=C1O[C@H](C)C(=O)C1Oc1ccc(NC(C)=O)cc1Cl ZINC001226875368 775999250 /nfs/dbraw/zinc/99/92/50/775999250.db2.gz HJFIEGIRIFJCQI-SSDOTTSWSA-N 0 1 295.722 2.897 20 30 CFEDMN Cc1nc2cc(CNc3ccnc(CC#N)c3)ccc2o1 ZINC001167757833 776112090 /nfs/dbraw/zinc/11/20/90/776112090.db2.gz HKTTWOJXSXWTSA-UHFFFAOYSA-N 0 1 278.315 2.631 20 30 CFEDMN C[C@H](Oc1nc2ccc(C#N)cc2[nH]1)C1CCOCC1 ZINC001227216463 776142791 /nfs/dbraw/zinc/14/27/91/776142791.db2.gz TWSLBBKLYXFMPK-JTQLQIEISA-N 0 1 271.320 2.628 20 30 CFEDMN C=C[C@@H](CC)Oc1[nH]c(=O)nc2cc(OC)c(OC)cc21 ZINC001227280171 776168985 /nfs/dbraw/zinc/16/89/85/776168985.db2.gz CVZAEWKVVVUGIG-VIFPVBQESA-N 0 1 290.319 2.696 20 30 CFEDMN C#CC[C@@H](CC)Oc1[nH]c(=O)nc2ccc(C)cc21 ZINC001227348549 776181661 /nfs/dbraw/zinc/18/16/61/776181661.db2.gz ZFIKZQAVJGJIKP-LLVKDONJSA-N 0 1 256.305 2.825 20 30 CFEDMN CC[C@@H](C#Cc1ccccc1)Oc1[nH]c(=S)nnc1C ZINC001227601077 776239280 /nfs/dbraw/zinc/23/92/80/776239280.db2.gz GFAOXKHVQCLTLS-ZDUSSCGKSA-N 0 1 285.372 2.678 20 30 CFEDMN C=C1O[C@H](CC)C(=O)C1Oc1cc(Cl)nnc1Cl ZINC001227650675 776249157 /nfs/dbraw/zinc/24/91/57/776249157.db2.gz SRWIVRFQUKCZJE-ZCFIWIBFSA-N 0 1 289.118 2.772 20 30 CFEDMN CCCCCCCCN1Cc2n[nH]c(C(=O)N(C)C)c2C1 ZINC001277230842 776251749 /nfs/dbraw/zinc/25/17/49/776251749.db2.gz DKBWMUMDPFGYPB-UHFFFAOYSA-N 0 1 292.427 2.788 20 30 CFEDMN C[C@@H](CC(C)(C)S)Oc1nc(=O)[nH]c2c1CO[C@H]2C ZINC001227715731 776268152 /nfs/dbraw/zinc/26/81/52/776268152.db2.gz FSFWZTGOVDVVDC-YUMQZZPRSA-N 0 1 284.381 2.639 20 30 CFEDMN C=CC[C@H](Oc1nc(=O)[nH]c2c1CO[C@H]2C)C(C)C ZINC001227715750 776268622 /nfs/dbraw/zinc/26/86/22/776268622.db2.gz FWWPBAOJYZTSAD-ONGXEEELSA-N 0 1 264.325 2.753 20 30 CFEDMN C=C1O[C@@H](CC)C(=O)C1Oc1nc(Cl)cc(Cl)n1 ZINC001227944552 776336543 /nfs/dbraw/zinc/33/65/43/776336543.db2.gz CVXTXRLIMSMYML-LURJTMIESA-N 0 1 289.118 2.772 20 30 CFEDMN N#Cc1[nH]cnc1NC(=O)CCCCC(=O)c1ccccc1 ZINC001143518077 776355785 /nfs/dbraw/zinc/35/57/85/776355785.db2.gz FUNWYYLKGSOBGA-UHFFFAOYSA-N 0 1 296.330 2.663 20 30 CFEDMN C=C(C)C[N@H+]1CCC[C@@H]1CNC(=O)c1cscc1C ZINC001027814218 776459637 /nfs/dbraw/zinc/45/96/37/776459637.db2.gz JTXDYZZUBCCMLB-CYBMUJFWSA-N 0 1 278.421 2.827 20 30 CFEDMN C=C(C)C(=O)OC[C@@H](C)Oc1ccc2nc(C)[nH]c2c1 ZINC001228327904 776460967 /nfs/dbraw/zinc/46/09/67/776460967.db2.gz XKRHKACGDXLULF-SNVBAGLBSA-N 0 1 274.320 2.758 20 30 CFEDMN C=C1O[C@@H](CC)C(=O)C1Oc1ccc2nc(C)[nH]c2c1 ZINC001228329778 776462523 /nfs/dbraw/zinc/46/25/23/776462523.db2.gz QNVWMTJLLMGTIN-ZDUSSCGKSA-N 0 1 272.304 2.860 20 30 CFEDMN CN(CC#N)Cc1cc(Cl)cc(Br)c1O ZINC001141373249 776480548 /nfs/dbraw/zinc/48/05/48/776480548.db2.gz UPUNDUFERYQMKC-UHFFFAOYSA-N 0 1 289.560 2.763 20 30 CFEDMN C=CCc1cc(OC)c(O[C@@H]2CCCN(C)C2)c(OC)c1 ZINC001228427201 776488301 /nfs/dbraw/zinc/48/83/01/776488301.db2.gz CXIJQBKXMMMFBQ-CQSZACIVSA-N 0 1 291.391 2.905 20 30 CFEDMN C=C[C@@H](C#CC(C)(C)C)Oc1nc(Cl)nc2nc[nH]c21 ZINC001228507668 776508181 /nfs/dbraw/zinc/50/81/81/776508181.db2.gz VDCXPVSRNXXMNX-VIFPVBQESA-N 0 1 290.754 2.989 20 30 CFEDMN C=C(Cl)CNC[C@@H](C)N(C)C(=O)/C(C)=C/CC ZINC001268054298 776513801 /nfs/dbraw/zinc/51/38/01/776513801.db2.gz NQQIUFFHNXDBEX-OFFHKIPUSA-N 0 1 258.793 2.532 20 30 CFEDMN CCCc1cc(C)nc(O[C@@H]2CCCN(C)C2)c1C#N ZINC001228599817 776534281 /nfs/dbraw/zinc/53/42/81/776534281.db2.gz PDICQFKUEUCERS-CQSZACIVSA-N 0 1 273.380 2.687 20 30 CFEDMN C=CCN1CCC[C@H]1CNC(=O)c1cc(C)sc1C ZINC001028008634 776552994 /nfs/dbraw/zinc/55/29/94/776552994.db2.gz CHSOWUAXORWVMK-ZDUSSCGKSA-N 0 1 278.421 2.745 20 30 CFEDMN CC#CCN1CCC[C@H]1CNC(=O)C1CCC2(CC2)CC1 ZINC001028031065 776565155 /nfs/dbraw/zinc/56/51/55/776565155.db2.gz CDFHXROCJKEZPI-INIZCTEOSA-N 0 1 288.435 2.561 20 30 CFEDMN C=C[C@@H](C)Oc1nc(C(F)(F)F)cc(O)c1[N+](=O)[O-] ZINC001228862139 776638314 /nfs/dbraw/zinc/63/83/14/776638314.db2.gz LAXQUIFMYFCFAO-RXMQYKEDSA-N 0 1 278.186 2.668 20 30 CFEDMN C=C1O[C@H](CC)C(=O)C1Oc1ccc([N+](=O)[O-])c(Cl)n1 ZINC001228938542 776662912 /nfs/dbraw/zinc/66/29/12/776662912.db2.gz QQHQSYNZMIIGET-MRVPVSSYSA-N 0 1 298.682 2.631 20 30 CFEDMN C[C@@H](C#C[Si](C)(C)C)Oc1nnc2c[nH]ccc1-2 ZINC001228990927 776681158 /nfs/dbraw/zinc/68/11/58/776681158.db2.gz UWZCRLPSPZCXME-JTQLQIEISA-N 0 1 259.385 2.606 20 30 CFEDMN C=C1O[C@H](CC)C(=O)C1Oc1cc(Cl)c(Cl)nn1 ZINC001228993859 776681645 /nfs/dbraw/zinc/68/16/45/776681645.db2.gz WRVBUCXPUOJUKA-SSDOTTSWSA-N 0 1 289.118 2.772 20 30 CFEDMN CC#CCN1CCC[C@H]1CNC(=O)c1csc(Cl)c1 ZINC001028180467 776682783 /nfs/dbraw/zinc/68/27/83/776682783.db2.gz BYNJBKPMPBJQGX-LBPRGKRZSA-N 0 1 296.823 2.619 20 30 CFEDMN C=C[C@@](C)(CC)C(=O)NC1CCN(C[C@H](F)CC)CC1 ZINC001229048942 776701307 /nfs/dbraw/zinc/70/13/07/776701307.db2.gz QKOPNYHQPRDDMX-CJNGLKHVSA-N 0 1 284.419 2.917 20 30 CFEDMN C=C(C)c1ccc(O[C@@H]2C[C@@H]3CC(=O)C[C@H]2[N@H+]3C)cc1 ZINC001229078682 776710666 /nfs/dbraw/zinc/71/06/66/776710666.db2.gz LSTOBHANHADEEX-IAOVAPTHSA-N 0 1 271.360 2.903 20 30 CFEDMN C=C(C)c1ccc(O[C@@H]2C[C@@H]3CC(=O)C[C@H]2N3C)cc1 ZINC001229078682 776710673 /nfs/dbraw/zinc/71/06/73/776710673.db2.gz LSTOBHANHADEEX-IAOVAPTHSA-N 0 1 271.360 2.903 20 30 CFEDMN C#CCN(C)CCN(C)C(=O)CC1CC(c2ccccc2)C1 ZINC001268241851 776718977 /nfs/dbraw/zinc/71/89/77/776718977.db2.gz AQPKUGGYWQVHRM-UHFFFAOYSA-N 0 1 298.430 2.594 20 30 CFEDMN C#C[C@@H](CCC)Oc1[nH]c(=O)nc2cc(OC)ccc21 ZINC001229136429 776728399 /nfs/dbraw/zinc/72/83/99/776728399.db2.gz BPWGZHKZXHPIHI-JTQLQIEISA-N 0 1 272.304 2.525 20 30 CFEDMN CC#CCN1CCC[C@@H]1CNC(=O)c1ccccc1Cl ZINC001028275801 776787196 /nfs/dbraw/zinc/78/71/96/776787196.db2.gz CYSWGANHNJFRLH-CYBMUJFWSA-N 0 1 290.794 2.558 20 30 CFEDMN C=CCCC(=O)N1CCC(N(C)Cc2ccns2)CC1 ZINC001277385980 776806173 /nfs/dbraw/zinc/80/61/73/776806173.db2.gz XMSPZFUBCNSODR-UHFFFAOYSA-N 0 1 293.436 2.532 20 30 CFEDMN C=C[C@@H](CC)CC(=O)NC1CN(CC2CCCC2)C1 ZINC001268438227 776806168 /nfs/dbraw/zinc/80/61/68/776806168.db2.gz PGGMBTQAVMYGHF-ZDUSSCGKSA-N 0 1 264.413 2.579 20 30 CFEDMN CC/C=C(/C)C(=O)N(CC)CCNCC#Cc1ccccc1 ZINC001268440344 776808142 /nfs/dbraw/zinc/80/81/42/776808142.db2.gz QLMKORXURJLNIR-YVLHZVERSA-N 0 1 298.430 2.833 20 30 CFEDMN C=CCCCC(=O)NC1CN(CC2CC3(CCC3)C2)C1 ZINC001268444679 776810374 /nfs/dbraw/zinc/81/03/74/776810374.db2.gz ASLDRRKUIKAWQA-UHFFFAOYSA-N 0 1 276.424 2.723 20 30 CFEDMN C=CCN1CCC[C@@H]1CNC(=O)c1occ2c1CCCC2 ZINC001028287909 776826700 /nfs/dbraw/zinc/82/67/00/776826700.db2.gz VPLNHAQPTYGXHC-CQSZACIVSA-N 0 1 288.391 2.539 20 30 CFEDMN N#CC1(N[C@H]2C[C@H]3C[C@H]3C2)CCN(Cc2ccccc2)CC1 ZINC001167909731 776830769 /nfs/dbraw/zinc/83/07/69/776830769.db2.gz PHYXZCXUCCDTIC-PIIMJCKOSA-N 0 1 295.430 2.933 20 30 CFEDMN CC#CCN1CCC[C@@H]1CNC(=O)c1cccc(C)c1C ZINC001028295531 776840257 /nfs/dbraw/zinc/84/02/57/776840257.db2.gz JOEVZNYIOBUNHZ-MRXNPFEDSA-N 0 1 284.403 2.521 20 30 CFEDMN CC#CCN1CCC[C@H]1CNC(=O)[C@H]1CCCCC1(C)C ZINC001028339743 776862593 /nfs/dbraw/zinc/86/25/93/776862593.db2.gz BPVSKVHCRNZXPP-JKSUJKDBSA-N 0 1 290.451 2.807 20 30 CFEDMN CC#CCN1CCC[C@@H]1CNC(=O)C1CCC(C)(C)CC1 ZINC001028343940 776863799 /nfs/dbraw/zinc/86/37/99/776863799.db2.gz ZQLYHGRAUYCALK-MRXNPFEDSA-N 0 1 290.451 2.807 20 30 CFEDMN C=CCC[C@@H](C)N1CC(NC(=O)C[C@@H](C)n2cccc2)C1 ZINC001268475194 776864389 /nfs/dbraw/zinc/86/43/89/776864389.db2.gz YWHVAKNTDXMGSB-HUUCEWRRSA-N 0 1 289.423 2.594 20 30 CFEDMN C=CC[N@@H+]1CCC[C@@H]1CNC(=O)C1CC(C(C)(C)C)C1 ZINC001028341651 776865695 /nfs/dbraw/zinc/86/56/95/776865695.db2.gz PYIOHIVOAAVNOP-YMAMQOFZSA-N 0 1 278.440 2.825 20 30 CFEDMN Cc1ccc(NC(=O)C[C@H](C)NCCC#N)c(Cl)c1 ZINC000426000252 776877637 /nfs/dbraw/zinc/87/76/37/776877637.db2.gz SBSZSRILECHVPS-NSHDSACASA-N 0 1 279.771 2.869 20 30 CFEDMN C#C[C@H](CC(C)C)Oc1nc2ccc(OC)cc2[nH]1 ZINC001229730147 776882923 /nfs/dbraw/zinc/88/29/23/776882923.db2.gz PGMCDAXYMNHQAB-LLVKDONJSA-N 0 1 258.321 2.998 20 30 CFEDMN CCOc1ccccc1NC(=O)C(C#N)C(=O)C1CCC1 ZINC000128906404 776921572 /nfs/dbraw/zinc/92/15/72/776921572.db2.gz YYNGVQXIZBJNMS-LBPRGKRZSA-N 0 1 286.331 2.533 20 30 CFEDMN C=C(C)CCC(=O)N[C@H](C)CNCc1nc(C)c(C)s1 ZINC001268646733 777008533 /nfs/dbraw/zinc/00/85/33/777008533.db2.gz LFPYRBJWBNGCEU-LLVKDONJSA-N 0 1 295.452 2.711 20 30 CFEDMN C#C[C@H](Oc1cc2[nH]ncc2cc1[N+](=O)[O-])c1ccncc1 ZINC001230600524 777023384 /nfs/dbraw/zinc/02/33/84/777023384.db2.gz GHOCPYWYFRFVGN-AWEZNQCLSA-N 0 1 294.270 2.619 20 30 CFEDMN C=C[C@](C)(CC)C(=O)N[C@@H](C)CNCc1ncc(C)s1 ZINC001268702808 777025598 /nfs/dbraw/zinc/02/55/98/777025598.db2.gz DPJVOFWBBGXHKQ-XHDPSFHLSA-N 0 1 295.452 2.648 20 30 CFEDMN C=C(C)CN1CC[C@@H]1CN(C)C(=O)CC1CCCC1 ZINC001230654194 777036975 /nfs/dbraw/zinc/03/69/75/777036975.db2.gz LYPTVAMERCFLSY-OAHLLOKOSA-N 0 1 264.413 2.676 20 30 CFEDMN C#CCCN1CC[C@H]1CN(C)C(=O)CCC1CCCC1 ZINC001230671338 777040531 /nfs/dbraw/zinc/04/05/31/777040531.db2.gz NIFBYHFTTHKYRJ-INIZCTEOSA-N 0 1 276.424 2.513 20 30 CFEDMN CCCCCCCC(=O)N1CCc2sc(CN)nc2C1 ZINC000710149686 777041515 /nfs/dbraw/zinc/04/15/15/777041515.db2.gz VAUQJZVOGCCRAQ-UHFFFAOYSA-N 0 1 295.452 2.847 20 30 CFEDMN C#CC[N@H+](C)C[C@H](C)NC(=O)c1c(Cl)cccc1Cl ZINC001268754986 777046494 /nfs/dbraw/zinc/04/64/94/777046494.db2.gz NYHISMFGXMVIGD-JTQLQIEISA-N 0 1 299.201 2.677 20 30 CFEDMN C#CCN(C)C[C@H](C)NC(=O)c1c(Cl)cccc1Cl ZINC001268754986 777046498 /nfs/dbraw/zinc/04/64/98/777046498.db2.gz NYHISMFGXMVIGD-JTQLQIEISA-N 0 1 299.201 2.677 20 30 CFEDMN C=CCN1CC(CNC(=O)[C@]2(c3ccccc3)CC2(C)C)C1 ZINC001268892116 777070590 /nfs/dbraw/zinc/07/05/90/777070590.db2.gz OOPWOYJCJBZUMR-LJQANCHMSA-N 0 1 298.430 2.588 20 30 CFEDMN C=CC[C@@H](C)Oc1[nH]c(=O)nc2ccc(OC)cc21 ZINC001230853382 777076431 /nfs/dbraw/zinc/07/64/31/777076431.db2.gz JFAGYPVRVLHFBM-SECBINFHSA-N 0 1 260.293 2.687 20 30 CFEDMN CCC#CC(=O)N1CC2(CCN2C[C@@H](CC)CCCC)C1 ZINC001268951641 777077493 /nfs/dbraw/zinc/07/74/93/777077493.db2.gz YUJBWUJCKIBRCY-INIZCTEOSA-N 0 1 290.451 2.903 20 30 CFEDMN C=C[C@H](C)Oc1[nH]c(=O)nc2cccc(Cl)c21 ZINC001230885648 777080494 /nfs/dbraw/zinc/08/04/94/777080494.db2.gz MFKOSRKWDWNAJK-ZETCQYMHSA-N 0 1 250.685 2.942 20 30 CFEDMN O=C1C=C[C@H](Oc2nc3cc(Cl)nc(Cl)c3[nH]2)C1 ZINC001231050533 777124669 /nfs/dbraw/zinc/12/46/69/777124669.db2.gz UGYYONLJHSGBLU-LURJTMIESA-N 0 1 284.102 2.541 20 30 CFEDMN C=CCN1CC[C@@H](NC(=O)C[C@@H](C)C2CCCCC2)C1 ZINC001269177983 777130119 /nfs/dbraw/zinc/13/01/19/777130119.db2.gz WEAGZKXOCBEMCD-GDBMZVCRSA-N 0 1 278.440 2.969 20 30 CFEDMN C[C@@H](Oc1[nH]c(=O)nc2cccc(F)c21)[C@H](C)S ZINC001231074726 777133604 /nfs/dbraw/zinc/13/36/04/777133604.db2.gz RWGVLOBLICCFSU-RQJHMYQMSA-N 0 1 268.313 2.560 20 30 CFEDMN C=CCCC(=O)NC[C@H]1CCN1Cc1ccc(C)c(C)c1 ZINC001269206408 777138733 /nfs/dbraw/zinc/13/87/33/777138733.db2.gz WPOANAZJKZWVJX-QGZVFWFLSA-N 0 1 286.419 2.960 20 30 CFEDMN O=C(c1ccccc1O)c1ccccc1O[C@H]1C=CC(=O)C1 ZINC001231210076 777171188 /nfs/dbraw/zinc/17/11/88/777171188.db2.gz IATBABVHUGHWGH-ZDUSSCGKSA-N 0 1 294.306 2.900 20 30 CFEDMN C#CCN1CC[C@H](N(CC)C(=O)CC2(C)CCCC2)C1 ZINC001269324827 777171512 /nfs/dbraw/zinc/17/15/12/777171512.db2.gz QFMDIQGAFLGGID-HNNXBMFYSA-N 0 1 276.424 2.513 20 30 CFEDMN C#CC(C#C)Oc1ccccc1C(=O)c1ccccc1O ZINC001231220710 777172838 /nfs/dbraw/zinc/17/28/38/777172838.db2.gz YHIKZUGIXCMZHS-UHFFFAOYSA-N 0 1 276.291 2.637 20 30 CFEDMN C#CCCN1CC[C@@H]1CN(C)C(=O)CCCC(C)(C)C ZINC001231239482 777175093 /nfs/dbraw/zinc/17/50/93/777175093.db2.gz CVESURTYRSYLOJ-OAHLLOKOSA-N 0 1 278.440 2.759 20 30 CFEDMN C=CC[C@H](C=C)Oc1nc(C)cc(O)c1[N+](=O)[O-] ZINC001231262312 777180136 /nfs/dbraw/zinc/18/01/36/777180136.db2.gz FFAWNQJFGLEAFW-VIFPVBQESA-N 0 1 250.254 2.513 20 30 CFEDMN CC#CC[C@H](CC)Oc1nc(C)cc(O)c1[N+](=O)[O-] ZINC001231263528 777180443 /nfs/dbraw/zinc/18/04/43/777180443.db2.gz KRBVDTOJNKXAGQ-JTQLQIEISA-N 0 1 264.281 2.575 20 30 CFEDMN C=C(Cl)CN[C@H](CC)CNC(=O)C1(C)CC(=C)C1 ZINC001269466184 777193310 /nfs/dbraw/zinc/19/33/10/777193310.db2.gz GRSMANPWWOLYAO-GFCCVEGCSA-N 0 1 270.804 2.580 20 30 CFEDMN C#C[C@@H](CCC)Oc1[nH]c(=O)nc2c(OC)cccc12 ZINC001231350688 777199067 /nfs/dbraw/zinc/19/90/67/777199067.db2.gz WNWJGOOFMLWLGT-JTQLQIEISA-N 0 1 272.304 2.525 20 30 CFEDMN C=CCC[C@H](C)N1CC(N(C)C(=O)Cc2ccccc2)C1 ZINC001269812580 777252325 /nfs/dbraw/zinc/25/23/25/777252325.db2.gz LGCJBZZVKZILMP-HNNXBMFYSA-N 0 1 286.419 2.726 20 30 CFEDMN C=CC[N@@H+](Cc1cc(C(=O)[O-])ccc1O)C(C)(C)C ZINC001231565974 777261345 /nfs/dbraw/zinc/26/13/45/777261345.db2.gz GEUVRQQWFNTSGH-UHFFFAOYSA-N 0 1 263.337 2.877 20 30 CFEDMN C=C(C)CCN1CC(N(C)C(=O)C[C@@H](C)C2CC2)C1 ZINC001269893611 777266367 /nfs/dbraw/zinc/26/63/67/777266367.db2.gz SYUHXEBJBLVUSS-CYBMUJFWSA-N 0 1 264.413 2.531 20 30 CFEDMN COc1ccc(C[N@H+]2CCC[C@@H](C#N)CC2)cc1C(=O)[O-] ZINC001231753415 777324931 /nfs/dbraw/zinc/32/49/31/777324931.db2.gz GJDMOWGDOUQVIP-GFCCVEGCSA-N 0 1 288.347 2.519 20 30 CFEDMN C#C[C@H]1CCCN(Cc2cccnc2OC(C)C)C1 ZINC001231760079 777327117 /nfs/dbraw/zinc/32/71/17/777327117.db2.gz CJTSTNYFOATVSJ-AWEZNQCLSA-N 0 1 258.365 2.714 20 30 CFEDMN C[C@@H]1C[N@@H+](Cc2ccc(N(C)CCC#N)cc2)C[C@@H]1F ZINC001231816256 777343533 /nfs/dbraw/zinc/34/35/33/777343533.db2.gz KYGKEUSIUWMUFS-CJNGLKHVSA-N 0 1 275.371 2.826 20 30 CFEDMN C[C@@H]1CN(Cc2ccc(N(C)CCC#N)cc2)C[C@@H]1F ZINC001231816256 777343537 /nfs/dbraw/zinc/34/35/37/777343537.db2.gz KYGKEUSIUWMUFS-CJNGLKHVSA-N 0 1 275.371 2.826 20 30 CFEDMN C[C@@H]1CC[N@@H+](Cc2ccc(N(C)CCC#N)cc2)CCC1=O ZINC001231816253 777343910 /nfs/dbraw/zinc/34/39/10/777343910.db2.gz KROFMASOXUZSOW-OAHLLOKOSA-N 0 1 299.418 2.837 20 30 CFEDMN C[C@@H]1CCN(Cc2ccc(N(C)CCC#N)cc2)CCC1=O ZINC001231816253 777343913 /nfs/dbraw/zinc/34/39/13/777343913.db2.gz KROFMASOXUZSOW-OAHLLOKOSA-N 0 1 299.418 2.837 20 30 CFEDMN COc1cc(N(C)C)ccc1CN1CCC(C)(C#N)CC1 ZINC001231854514 777351565 /nfs/dbraw/zinc/35/15/65/777351565.db2.gz IDKWAKYOFCDXSO-UHFFFAOYSA-N 0 1 287.407 2.887 20 30 CFEDMN CC#CC[N@H+]1CC[C@@H](CNC(=O)c2cccc(C3CC3)c2)C1 ZINC001029009997 777377336 /nfs/dbraw/zinc/37/73/36/777377336.db2.gz XVWXLBOMZDNPSZ-HNNXBMFYSA-N 0 1 296.414 2.639 20 30 CFEDMN C=CCN(C)Cc1ncc(Br)cc1C ZINC001232049415 777424783 /nfs/dbraw/zinc/42/47/83/777424783.db2.gz ZDIOIJXKQGJOIX-UHFFFAOYSA-N 0 1 255.159 2.770 20 30 CFEDMN N#C[C@@H]1C[C@H]2CC[C@@H](C1)N2Cc1cc2ncccc2[nH]1 ZINC001232065254 777426890 /nfs/dbraw/zinc/42/68/90/777426890.db2.gz PPEXXOGEKGATDU-DEZZGGKRSA-N 0 1 266.348 2.829 20 30 CFEDMN Cc1cc(=O)[nH]c(O[C@@H](CC#N)c2ccccc2)n1 ZINC001226159587 777462056 /nfs/dbraw/zinc/46/20/56/777462056.db2.gz QZOBCXBXPUJAHR-LBPRGKRZSA-N 0 1 255.277 2.524 20 30 CFEDMN C=CCN1CCN(Cc2c[nH]c3nccc(Cl)c23)CC1 ZINC001232457597 777566397 /nfs/dbraw/zinc/56/63/97/777566397.db2.gz RXDQOSQKEHJMOL-UHFFFAOYSA-N 0 1 290.798 2.520 20 30 CFEDMN N#C[C@@H]1C[C@H]2CC[C@@H](C1)N2Cc1cc(F)ccc1N ZINC001232512335 777591128 /nfs/dbraw/zinc/59/11/28/777591128.db2.gz OVNTYQAAHGZSSZ-OJNYZHBWSA-N 0 1 259.328 2.674 20 30 CFEDMN N#Cc1ccc([O-])c(C[N@@H+]2CCc3c(O)cccc3C2)c1 ZINC001232673577 777636707 /nfs/dbraw/zinc/63/67/07/777636707.db2.gz JLAJQHMOIUIEGB-UHFFFAOYSA-N 0 1 280.327 2.528 20 30 CFEDMN Cc1cc([C@@H]2CCC[N@H+]2Cc2cc(C#N)ccc2[O-])no1 ZINC001232673410 777637029 /nfs/dbraw/zinc/63/70/29/777637029.db2.gz FOHMVNWCSIRPCZ-HNNXBMFYSA-N 0 1 283.331 2.897 20 30 CFEDMN N#Cc1ccc(O)c(CN2CCC[C@H]2C(F)(F)F)c1 ZINC001232673179 777637083 /nfs/dbraw/zinc/63/70/83/777637083.db2.gz BOTJMWURGAXWDD-LBPRGKRZSA-N 0 1 270.254 2.791 20 30 CFEDMN COC[C@@]12CCC[C@@H]1C[N@@H+](Cc1cc(C#N)ccc1[O-])C2 ZINC001232676922 777638246 /nfs/dbraw/zinc/63/82/46/777638246.db2.gz FRGPRLLSPFYGAG-WBVHZDCISA-N 0 1 286.375 2.512 20 30 CFEDMN N#Cc1ccc(O)c(CN2CC(OCc3ccccc3)C2)c1 ZINC001232679453 777640806 /nfs/dbraw/zinc/64/08/06/777640806.db2.gz MBYJFONKJYMPNP-UHFFFAOYSA-N 0 1 294.354 2.665 20 30 CFEDMN N#Cc1ccc([O-])c(C[NH+]2CC(OCc3ccccc3)C2)c1 ZINC001232679453 777640809 /nfs/dbraw/zinc/64/08/09/777640809.db2.gz MBYJFONKJYMPNP-UHFFFAOYSA-N 0 1 294.354 2.665 20 30 CFEDMN C=CCN1CCN(Cc2cccc3ncsc32)CC1 ZINC001232733732 777649151 /nfs/dbraw/zinc/64/91/51/777649151.db2.gz SQULGPKULSAQML-UHFFFAOYSA-N 0 1 273.405 2.600 20 30 CFEDMN C#CCN1CC[C@H](NC(=O)[C@H]2CCCC3(CC3)C2)[C@H]1CC ZINC001087569060 777659708 /nfs/dbraw/zinc/65/97/08/777659708.db2.gz AGEQKIREZVCFDB-HRCADAONSA-N 0 1 288.435 2.559 20 30 CFEDMN C=CCN1CC[C@H](NC(=O)c2conc2C(C)C)[C@H]1CC ZINC001087599782 777665225 /nfs/dbraw/zinc/66/52/25/777665225.db2.gz WOXMUDLDBOHGSJ-UONOGXRCSA-N 0 1 291.395 2.567 20 30 CFEDMN Cc1cnccc1O[C@@H]1CC[N@@H+](Cc2ccc(C#N)s2)C1 ZINC001232845114 777691865 /nfs/dbraw/zinc/69/18/65/777691865.db2.gz OBAJLQRSKKXKEA-CYBMUJFWSA-N 0 1 299.399 2.977 20 30 CFEDMN CC#CCN1CC[C@H](NC(=O)c2csc(C)c2)[C@H]1CC ZINC001087762836 777695721 /nfs/dbraw/zinc/69/57/21/777695721.db2.gz PMHNYJATBYOGDA-LSDHHAIUSA-N 0 1 290.432 2.663 20 30 CFEDMN C=CCN1CC[C@H](NC(=O)c2oc(CC)cc2C)[C@H]1CC ZINC001087797078 777700451 /nfs/dbraw/zinc/70/04/51/777700451.db2.gz XDIHWOFTCQDIKZ-LSDHHAIUSA-N 0 1 290.407 2.919 20 30 CFEDMN Cc1noc([C@@H]2CCN(Cc3ccc(C)cc3C#N)C2)n1 ZINC001232967128 777743590 /nfs/dbraw/zinc/74/35/90/777743590.db2.gz CXHFABMSQKHQFG-CQSZACIVSA-N 0 1 282.347 2.548 20 30 CFEDMN COc1c(O)cccc1CN1[C@@H]2CC[C@H]1C[C@H](C#N)C2 ZINC001233256970 777848625 /nfs/dbraw/zinc/84/86/25/777848625.db2.gz FOJFXGHBXNJEAI-DEZZGGKRSA-N 0 1 272.348 2.667 20 30 CFEDMN C=C(C)C(C)(C)C(=O)N[C@@H](C)C1CCN(CCF)CC1 ZINC001279146498 777889095 /nfs/dbraw/zinc/88/90/95/777889095.db2.gz IXEIFSGUMQJFHC-ZDUSSCGKSA-N 0 1 284.419 2.775 20 30 CFEDMN CCCC(=O)N1CC[C@H](C[N@@H+](C)Cc2ccccc2C#N)C1 ZINC001029626999 777903724 /nfs/dbraw/zinc/90/37/24/777903724.db2.gz VZKSYOUXATUVPI-OAHLLOKOSA-N 0 1 299.418 2.639 20 30 CFEDMN CCCC(=O)N1CC[C@H](CN(C)Cc2ccccc2C#N)C1 ZINC001029626999 777903732 /nfs/dbraw/zinc/90/37/32/777903732.db2.gz VZKSYOUXATUVPI-OAHLLOKOSA-N 0 1 299.418 2.639 20 30 CFEDMN N#Cc1ccc(C[N@H+]2CCOc3ccccc3C2)c([O-])c1 ZINC001233386161 777927021 /nfs/dbraw/zinc/92/70/21/777927021.db2.gz IMQHCARSSQYYHO-UHFFFAOYSA-N 0 1 280.327 2.658 20 30 CFEDMN N#Cc1cc(F)ccc1CN1CCCCC[C@H]1CCO ZINC000342049859 777938689 /nfs/dbraw/zinc/93/86/89/777938689.db2.gz QAIZXUMXELTBNO-INIZCTEOSA-N 0 1 276.355 2.824 20 30 CFEDMN CCN1CC[C@H](Oc2c(Cl)cccc2C#N)C1 ZINC001233546808 777985066 /nfs/dbraw/zinc/98/50/66/777985066.db2.gz CIFNMZAMEHFJLQ-NSHDSACASA-N 0 1 250.729 2.685 20 30 CFEDMN N#CC=C(O)c1ccc(OC2CCC(=O)CC2)cc1 ZINC001233519204 777976831 /nfs/dbraw/zinc/97/68/31/777976831.db2.gz PUWQMDCPCJLKKS-UHFFFAOYSA-N 0 1 257.289 2.673 20 30 CFEDMN C#C[C@H](CCCCC)Oc1n[nH]c(=O)cc1Cl ZINC001233587679 777999257 /nfs/dbraw/zinc/99/92/57/777999257.db2.gz WXSWRDJXEVDYAS-SECBINFHSA-N 0 1 254.717 2.797 20 30 CFEDMN C#CCCCCC(=O)N(C)C[C@@H]1CCN1Cc1ccccc1 ZINC001233762564 778067796 /nfs/dbraw/zinc/06/77/96/778067796.db2.gz SLRFHOVNIFMFNS-SFHVURJKSA-N 0 1 298.430 2.913 20 30 CFEDMN C#CCN1CC[C@@H]2[C@@H]1CCCN2C(=O)[C@@H](CC)CCCC ZINC001272006122 778111028 /nfs/dbraw/zinc/11/10/28/778111028.db2.gz SUGQRAVVSSKZBP-YESZJQIVSA-N 0 1 290.451 2.901 20 30 CFEDMN C#CCCCC(=O)N(C)C[C@H]1CCN1Cc1ccc(C)cc1 ZINC001233957015 778122015 /nfs/dbraw/zinc/12/20/15/778122015.db2.gz HWHNPQCOYLJAMJ-GOSISDBHSA-N 0 1 298.430 2.831 20 30 CFEDMN C=C(C)CN1C[C@@H](NC(=O)[C@@H](CC)CCCC)[C@H](OC)C1 ZINC001211909136 778145824 /nfs/dbraw/zinc/14/58/24/778145824.db2.gz PCJPDMAXMMAFFU-ARFHVFGLSA-N 0 1 296.455 2.594 20 30 CFEDMN C#C[C@@H]1CCC[C@@H]1Oc1nc2cccc(C(=O)OC)c2[n-]1 ZINC001234043967 778150371 /nfs/dbraw/zinc/15/03/71/778150371.db2.gz HEVVDHKPBYQLJZ-MFKMUULPSA-N 0 1 284.315 2.530 20 30 CFEDMN C#C[C@@H]1CCC[C@@H]1Oc1nc2cccc(C(=O)OC)c2[nH]1 ZINC001234043967 778150375 /nfs/dbraw/zinc/15/03/75/778150375.db2.gz HEVVDHKPBYQLJZ-MFKMUULPSA-N 0 1 284.315 2.530 20 30 CFEDMN C=CCOCCN1CC[C@H]1CN(C)C(=O)[C@H](C)CCCC ZINC001234051777 778153727 /nfs/dbraw/zinc/15/37/27/778153727.db2.gz WCAMVPHLOVTAKW-CVEARBPZSA-N 0 1 296.455 2.548 20 30 CFEDMN C#CCCN1CC[C@H]1CN(C)C(=O)CC1(C)CCCC1 ZINC001234087229 778162163 /nfs/dbraw/zinc/16/21/63/778162163.db2.gz IDSGLWFWUSGRAS-HNNXBMFYSA-N 0 1 276.424 2.513 20 30 CFEDMN CC(C)C#CC(=O)N(C)C[C@@H]1CCN1CC1=CCCCC1 ZINC001234118647 778169775 /nfs/dbraw/zinc/16/97/75/778169775.db2.gz JRKFHOQTMUIDFW-KRWDZBQOSA-N 0 1 288.435 2.679 20 30 CFEDMN CC[C@H](C)C(=O)NCCCN(C)Cc1ccc(C#N)s1 ZINC001234125743 778172469 /nfs/dbraw/zinc/17/24/69/778172469.db2.gz BCNDCDUFXYPUGM-LBPRGKRZSA-N 0 1 293.436 2.604 20 30 CFEDMN C=C(C)CCC(=O)N(C)C[C@H](C)NCc1ncc(C)s1 ZINC001277834691 778172897 /nfs/dbraw/zinc/17/28/97/778172897.db2.gz FVQNXGXWJLHPIN-LBPRGKRZSA-N 0 1 295.452 2.744 20 30 CFEDMN CC#CCN1CC[C@H]2[C@@H]1CCCN2C(=O)C1(CCC)CC1 ZINC001272033202 778186101 /nfs/dbraw/zinc/18/61/01/778186101.db2.gz HGCOHVBFWQPBKI-HOTGVXAUSA-N 0 1 288.435 2.655 20 30 CFEDMN C=C1O[C@@H](CC)C(=O)C1Oc1cc(F)c(F)cc1OC ZINC001234236030 778191218 /nfs/dbraw/zinc/19/12/18/778191218.db2.gz HZZPKQHTEUOXJG-JTQLQIEISA-N 0 1 284.258 2.962 20 30 CFEDMN C=C(C)CN1CC[C@@H]1CN(C)C(=O)[C@]1(C)CC=CCC1 ZINC001234525345 778243269 /nfs/dbraw/zinc/24/32/69/778243269.db2.gz BDTNYSMRTRUVPC-NVXWUHKLSA-N 0 1 276.424 2.842 20 30 CFEDMN N#Cc1cccc(O[C@H]2CN3CCC2CC3)c1Cl ZINC001229066332 778243973 /nfs/dbraw/zinc/24/39/73/778243973.db2.gz AEJKDKSNWMWMJD-ZDUSSCGKSA-N 0 1 262.740 2.685 20 30 CFEDMN N#Cc1ccc2nc(=O)[nH]c(O[C@H]3C=CCCC3)c2c1 ZINC001234530127 778244988 /nfs/dbraw/zinc/24/49/88/778244988.db2.gz IAEZQGCFWXGYPK-NSHDSACASA-N 0 1 267.288 2.695 20 30 CFEDMN N#Cc1ccc2nc(=O)[nH]c(O[C@H]3CCCC[C@@H]3F)c2c1 ZINC001234530684 778245442 /nfs/dbraw/zinc/24/54/42/778245442.db2.gz KXUHJFIGQPEYPJ-AAEUAGOBSA-N 0 1 287.294 2.867 20 30 CFEDMN CCC[C@H](C)Oc1[nH]c(=O)nc2ccc(C#N)cc21 ZINC001234531307 778246217 /nfs/dbraw/zinc/24/62/17/778246217.db2.gz XTKHTWQECABSAV-VIFPVBQESA-N 0 1 257.293 2.774 20 30 CFEDMN COc1ccc2ccc(O)c(CN3CC[C@@H](C#N)C3)c2c1 ZINC001234562908 778253912 /nfs/dbraw/zinc/25/39/12/778253912.db2.gz XISWEEPHEGROPL-LBPRGKRZSA-N 0 1 282.343 2.899 20 30 CFEDMN C=C[C@@H](CC)Oc1nc(C)[nH]c(=O)c1Br ZINC001234571349 778255179 /nfs/dbraw/zinc/25/51/79/778255179.db2.gz FHNCJFFRYXQXKS-ZETCQYMHSA-N 0 1 273.130 2.597 20 30 CFEDMN O=[N+]([O-])c1ccc2c(c1)C[C@@H](Oc1ccccc1C=NO)C2 ZINC001234823339 778303443 /nfs/dbraw/zinc/30/34/43/778303443.db2.gz STVYTLOCKAGQDT-HNNXBMFYSA-N 0 1 298.298 2.949 20 30 CFEDMN C#CCCCCCC(=O)N1CCC[C@H]1CNCC(=C)Cl ZINC001277917217 778355986 /nfs/dbraw/zinc/35/59/86/778355986.db2.gz RJMVAXUUIFSXMS-HNNXBMFYSA-N 0 1 296.842 2.903 20 30 CFEDMN CCCN(CCC#N)[C@H]1Cc2ccc(OC)cc2C1 ZINC001168278045 778375101 /nfs/dbraw/zinc/37/51/01/778375101.db2.gz BBEDVKLNAMBZKX-HNNXBMFYSA-N 0 1 258.365 2.788 20 30 CFEDMN C=CCN1CCCN(C(=O)[C@H](C)c2ccccc2)CC1 ZINC000989519944 778414324 /nfs/dbraw/zinc/41/43/24/778414324.db2.gz PVOBZJJOYQMQGN-OAHLLOKOSA-N 0 1 272.392 2.510 20 30 CFEDMN CCCCCCCCOCC(=O)N(C)C[C@@H]1CCN1CC ZINC001235375439 778471089 /nfs/dbraw/zinc/47/10/89/778471089.db2.gz JZWHVZMTYLWCAT-INIZCTEOSA-N 0 1 298.471 2.916 20 30 CFEDMN CCOc1cc(O)cc(CN2CCC[C@@H](CC#N)C2)c1 ZINC001235397548 778474554 /nfs/dbraw/zinc/47/45/54/778474554.db2.gz GKVLPIOUIQCGSO-ZDUSSCGKSA-N 0 1 274.364 2.917 20 30 CFEDMN CCOc1cc(O)cc(CN2CCC(CC#N)CC2)c1 ZINC001235399061 778474615 /nfs/dbraw/zinc/47/46/15/778474615.db2.gz XDOGOTQJGBJAOH-UHFFFAOYSA-N 0 1 274.364 2.917 20 30 CFEDMN C#C[C@@H]1CCCN(Cc2cc(O)cc(OCC)c2)C1 ZINC001235410406 778480212 /nfs/dbraw/zinc/48/02/12/778480212.db2.gz QMSFTMHPLGOCHK-CYBMUJFWSA-N 0 1 259.349 2.636 20 30 CFEDMN C#CCN1CC[C@H](NC(=O)c2csc3ccccc23)[C@H]1C ZINC001088779782 778487931 /nfs/dbraw/zinc/48/79/31/778487931.db2.gz ZHTFQYQLPQKFJS-DOMZBBRYSA-N 0 1 298.411 2.727 20 30 CFEDMN C=CC[N@@H+]1CC[C@H]1CN(C)C(=O)C/C=C/Cc1ccccc1 ZINC001235549644 778517462 /nfs/dbraw/zinc/51/74/62/778517462.db2.gz IFROQSIMODWZHW-DVBCCOPCSA-N 0 1 298.430 2.894 20 30 CFEDMN C=CCN1CC[C@H]1CN(C)C(=O)C/C=C/Cc1ccccc1 ZINC001235549644 778517464 /nfs/dbraw/zinc/51/74/64/778517464.db2.gz IFROQSIMODWZHW-DVBCCOPCSA-N 0 1 298.430 2.894 20 30 CFEDMN CCN(Cc1c(F)cc(C#N)cc1F)C1CCOCC1 ZINC001235657616 778529146 /nfs/dbraw/zinc/52/91/46/778529146.db2.gz URNZAXKUTLTSEY-UHFFFAOYSA-N 0 1 280.318 2.837 20 30 CFEDMN C=CCCCC(=O)N1CCN(CCC(C)C)CC1 ZINC000175331096 778538163 /nfs/dbraw/zinc/53/81/63/778538163.db2.gz SSPZFYKWJBHABI-UHFFFAOYSA-N 0 1 252.402 2.533 20 30 CFEDMN Cc1ccc(NC(=O)C[C@@H](C)NCCC#N)cc1Cl ZINC000346742986 778587983 /nfs/dbraw/zinc/58/79/83/778587983.db2.gz VJFBQRISSWPTDG-LLVKDONJSA-N 0 1 279.771 2.869 20 30 CFEDMN CN1CCN(c2ccc(-c3ccc(CS)cc3)cn2)CC1 ZINC001235978448 778637249 /nfs/dbraw/zinc/63/72/49/778637249.db2.gz GNEJZILKWYZONO-UHFFFAOYSA-N 0 1 299.443 2.930 20 30 CFEDMN CN[C@@H]1CCN1Cc1ccc(C#Cc2ccccc2)cc1 ZINC001236168763 778723487 /nfs/dbraw/zinc/72/34/87/778723487.db2.gz XDHAXWXLKULFKZ-IBGZPJMESA-N 0 1 276.383 2.838 20 30 CFEDMN C=C1O[C@@H](CC)C(=O)C1OCCCCO[C@@H]1CCCCO1 ZINC001224916777 778745532 /nfs/dbraw/zinc/74/55/32/778745532.db2.gz YGGNCCWJZHEANJ-UONOGXRCSA-N 0 1 298.379 2.936 20 30 CFEDMN C=CCCSCCNc1ccc(C(=O)[O-])c(C)[nH+]1 ZINC000696119478 778841113 /nfs/dbraw/zinc/84/11/13/778841113.db2.gz CYJNNIYKFCPMGT-UHFFFAOYSA-N 0 1 266.366 2.809 20 30 CFEDMN CN1CCN(c2cccc(-c3ccc(C#N)cc3F)n2)CC1 ZINC001236528523 778863397 /nfs/dbraw/zinc/86/33/97/778863397.db2.gz YRRASCIPVQMWTB-UHFFFAOYSA-N 0 1 296.349 2.511 20 30 CFEDMN C[C@H]1CCN(Cc2ccc(C#N)c(Cl)c2)CC[C@@H]1O ZINC001232112548 778899058 /nfs/dbraw/zinc/89/90/58/778899058.db2.gz XNVCAUHZSOIVJK-NHYWBVRUSA-N 0 1 278.783 2.804 20 30 CFEDMN N#Cc1cnc(CN[C@H]2CCc3cc(F)ccc3C2)s1 ZINC001168415402 778922090 /nfs/dbraw/zinc/92/20/90/778922090.db2.gz PNKADRHMWZGVOY-ZDUSSCGKSA-N 0 1 287.363 2.801 20 30 CFEDMN CCOc1ccc(CN2CCC[C@H](CC#N)C2)c(C)n1 ZINC001232313461 778922992 /nfs/dbraw/zinc/92/29/92/778922992.db2.gz ZKFVCTFUDIBXMN-CQSZACIVSA-N 0 1 273.380 2.914 20 30 CFEDMN C=C(C)CCC(=O)NC[C@@H](C)N1CCc2ccccc2C1 ZINC001120665122 778950947 /nfs/dbraw/zinc/95/09/47/778950947.db2.gz OSMLPWZPPWWARS-OAHLLOKOSA-N 0 1 286.419 2.906 20 30 CFEDMN C=CCN1CC[C@H](NC(=O)c2ccc(F)cc2C)[C@H]1C ZINC001088994005 778969503 /nfs/dbraw/zinc/96/95/03/778969503.db2.gz NUOQGLQRJYRBQX-DOMZBBRYSA-N 0 1 276.355 2.513 20 30 CFEDMN C=CCN1CC[C@H](NC(=O)c2c(F)cccc2Cl)[C@H]1C ZINC001088998612 778971391 /nfs/dbraw/zinc/97/13/91/778971391.db2.gz FSFCWFRVTLQMRT-MFKMUULPSA-N 0 1 296.773 2.858 20 30 CFEDMN C#CCN(C)Cc1ccc(-n2cccn2)c(Cl)c1 ZINC001236901801 778979500 /nfs/dbraw/zinc/97/95/00/778979500.db2.gz WZDPRMMEJHNTFE-UHFFFAOYSA-N 0 1 259.740 2.591 20 30 CFEDMN C=CCN1CC[C@H](NC(=O)[C@@]2(C)CCc3ccccc32)[C@H]1C ZINC001089070220 778986891 /nfs/dbraw/zinc/98/68/91/778986891.db2.gz TWVJNNXHIDMSII-LJHODMEESA-N 0 1 298.430 2.656 20 30 CFEDMN C#CCN1CC(C)(C)CC[C@H]1CNC(=O)[C@H](C)C1CCC1 ZINC001099120843 779030386 /nfs/dbraw/zinc/03/03/86/779030386.db2.gz GUCOVDFJLYKQPU-ZBFHGGJFSA-N 0 1 290.451 2.663 20 30 CFEDMN C#CCN1CCC(C)(NC(=O)[C@H](CC)CC(C)C)CC1 ZINC001278088031 779082804 /nfs/dbraw/zinc/08/28/04/779082804.db2.gz MHMZOBMHJFOWIV-OAHLLOKOSA-N 0 1 278.440 2.663 20 30 CFEDMN CCCN(CCC#N)Cc1[nH]nc2cc(OC)ccc21 ZINC001237390907 779092346 /nfs/dbraw/zinc/09/23/46/779092346.db2.gz KFZONDAVBHSARB-UHFFFAOYSA-N 0 1 272.352 2.697 20 30 CFEDMN N#Cc1ccc(O)c(NC(=O)c2csc(C3CC3)n2)c1 ZINC000176406284 779125561 /nfs/dbraw/zinc/12/55/61/779125561.db2.gz RDTYHXPSWZQMRD-UHFFFAOYSA-N 0 1 285.328 2.850 20 30 CFEDMN C=C(C)CN(CC)Cc1cn2cc(C#N)ccc2n1 ZINC001237605857 779140392 /nfs/dbraw/zinc/14/03/92/779140392.db2.gz FBDNPKVIGVAFLA-UHFFFAOYSA-N 0 1 254.337 2.604 20 30 CFEDMN N#Cc1ccc2nc(CN3CCC[C@@H]4CCC[C@@H]43)cn2c1 ZINC001237606814 779140867 /nfs/dbraw/zinc/14/08/67/779140867.db2.gz OSOLTLMOXMSIQQ-HOCLYGCPSA-N 0 1 280.375 2.970 20 30 CFEDMN N#Cc1ccc2nc(CN3CCC4(CCCC4)C3)cn2c1 ZINC001237615110 779142624 /nfs/dbraw/zinc/14/26/24/779142624.db2.gz ULMBDIMQFIXRBF-UHFFFAOYSA-N 0 1 280.375 2.972 20 30 CFEDMN C#CCN(C(=O)[C@@H](C)CC)C1CCN(C/C=C/Cl)CC1 ZINC001278121720 779142681 /nfs/dbraw/zinc/14/26/81/779142681.db2.gz KWELYJGXWXLGFL-MRZGDXHCSA-N 0 1 296.842 2.711 20 30 CFEDMN N#Cc1ccc2nc(CN3CC4CCC3CC4)cn2c1 ZINC001237614077 779143011 /nfs/dbraw/zinc/14/30/11/779143011.db2.gz MIQSTJAQEYXIHN-UHFFFAOYSA-N 0 1 266.348 2.580 20 30 CFEDMN C[C@H]1CCN(Cc2cn3cc(C#N)ccc3n2)[C@@H](C)C1 ZINC001237614551 779143454 /nfs/dbraw/zinc/14/34/54/779143454.db2.gz QAMIAYSRGUDHJM-STQMWFEESA-N 0 1 268.364 2.826 20 30 CFEDMN C=C(C)CN1CC[C@H]1CN(C)C(=O)C(C)=C1CCC1 ZINC001234152821 779143748 /nfs/dbraw/zinc/14/37/48/779143748.db2.gz ZPEOHWXTLGWSEN-HNNXBMFYSA-N 0 1 262.397 2.596 20 30 CFEDMN N#C[C@H]1CCN(Cc2cc(Cl)cc(F)c2O)C1 ZINC001237621545 779145827 /nfs/dbraw/zinc/14/58/27/779145827.db2.gz CABJALNFORCTCK-MRVPVSSYSA-N 0 1 254.692 2.530 20 30 CFEDMN CCCC(=O)C(C#N)C(=O)Nc1ccc(F)c(Cl)c1 ZINC000130197226 779146106 /nfs/dbraw/zinc/14/61/06/779146106.db2.gz CIMWPIRADQCJQL-SECBINFHSA-N 0 1 282.702 2.927 20 30 CFEDMN C#CCN1CC(C)(C)CC[C@@H]1CNC(=O)CC(C)=C(C)C ZINC001099181480 779167243 /nfs/dbraw/zinc/16/72/43/779167243.db2.gz ABNRSRCFAXFKLD-MRXNPFEDSA-N 0 1 290.451 2.973 20 30 CFEDMN C[C@@]1(C#N)CCN(Cc2cc(F)cc(Cl)c2O)C1 ZINC001237801835 779181226 /nfs/dbraw/zinc/18/12/26/779181226.db2.gz IWSUWLXHAJVUKN-ZDUSSCGKSA-N 0 1 268.719 2.920 20 30 CFEDMN N#C[C@@H]1CCCN1Cc1cc(F)cc(Cl)c1O ZINC001237804699 779183348 /nfs/dbraw/zinc/18/33/48/779183348.db2.gz DYNOUNHGUQVFCA-JTQLQIEISA-N 0 1 254.692 2.673 20 30 CFEDMN N#CC1CC[NH+](Cc2cc(F)cc(Cl)c2[O-])CC1 ZINC001237808212 779184276 /nfs/dbraw/zinc/18/42/76/779184276.db2.gz SBGSHLSXLFQLTF-UHFFFAOYSA-N 0 1 268.719 2.920 20 30 CFEDMN C=C(C)C[N@@H+]1CC[C@@](C)(NC(=O)c2occc2CC)C1 ZINC001046596018 779231522 /nfs/dbraw/zinc/23/15/22/779231522.db2.gz RNLISBBNTZEKDA-MRXNPFEDSA-N 0 1 276.380 2.612 20 30 CFEDMN C=C(C)CN1CC[C@@](C)(NC(=O)c2occc2CC)C1 ZINC001046596018 779231524 /nfs/dbraw/zinc/23/15/24/779231524.db2.gz RNLISBBNTZEKDA-MRXNPFEDSA-N 0 1 276.380 2.612 20 30 CFEDMN C=CCOCCN1CC[C@H]1CN(C)C(=O)CC(C)(C)CC ZINC001234538254 779241754 /nfs/dbraw/zinc/24/17/54/779241754.db2.gz WZFSUCCXVGTYTM-HNNXBMFYSA-N 0 1 296.455 2.548 20 30 CFEDMN C[C@H]1CN(Cc2ccc(C#N)cc2Cl)CCC[C@@H]1O ZINC001238080817 779247816 /nfs/dbraw/zinc/24/78/16/779247816.db2.gz ZTUMQHYGIUROPT-NHYWBVRUSA-N 0 1 278.783 2.804 20 30 CFEDMN C[C@@H]1CCN(Cc2ccc(C#N)cc2Cl)C[C@]1(C)O ZINC001238079562 779247849 /nfs/dbraw/zinc/24/78/49/779247849.db2.gz CQXYQVFJAGZLSF-ABAIWWIYSA-N 0 1 278.783 2.804 20 30 CFEDMN C[C@@H]1CO[C@@H]2CN(Cc3ccc(C#N)cc3Cl)C[C@H]12 ZINC001238087288 779249348 /nfs/dbraw/zinc/24/93/48/779249348.db2.gz YIALHTKDSQSZDO-WDBKCZKBSA-N 0 1 276.767 2.678 20 30 CFEDMN C[C@@H]1CN(Cc2ccc(C#N)cc2Cl)CC[C@@]1(C)O ZINC001238082550 779249467 /nfs/dbraw/zinc/24/94/67/779249467.db2.gz JQOYDDFJLGLRMS-IAQYHMDHSA-N 0 1 278.783 2.804 20 30 CFEDMN C[C@@H]1CN(Cc2ccc(C#N)cc2Cl)CC[C@]1(C)O ZINC001238082549 779249849 /nfs/dbraw/zinc/24/98/49/779249849.db2.gz JQOYDDFJLGLRMS-ABAIWWIYSA-N 0 1 278.783 2.804 20 30 CFEDMN CCCC(=O)C(C#N)C(=O)Nc1ccc(OC)c(Cl)c1 ZINC000130337602 779266944 /nfs/dbraw/zinc/26/69/44/779266944.db2.gz ZLIPSDHBWQJWPT-JTQLQIEISA-N 0 1 294.738 2.796 20 30 CFEDMN C[C@@H]1CCN(Cc2ccc(Cl)c(C#N)c2)C[C@@]1(C)O ZINC001238189688 779275145 /nfs/dbraw/zinc/27/51/45/779275145.db2.gz VYZOXVRISKDXJD-IAQYHMDHSA-N 0 1 278.783 2.804 20 30 CFEDMN N#CC(C(=O)C[C@H]1CCC2(CCC2)O1)c1cccc(F)n1 ZINC001122658197 779282745 /nfs/dbraw/zinc/28/27/45/779282745.db2.gz OQCOPMSHFQLCCS-NEPJUHHUSA-N 0 1 288.322 2.889 20 30 CFEDMN N#CC[C@H]1CCC[N@H+](Cc2ccc(F)cc2C(=O)[O-])C1 ZINC001238236063 779287745 /nfs/dbraw/zinc/28/77/45/779287745.db2.gz PDKAWWDIZNCNMG-LLVKDONJSA-N 0 1 276.311 2.650 20 30 CFEDMN CCCCO[C@H]1CCN(Cc2ccccc2C#N)C1 ZINC001205139526 779320927 /nfs/dbraw/zinc/32/09/27/779320927.db2.gz VBABWXDGYQLNCG-INIZCTEOSA-N 0 1 258.365 2.949 20 30 CFEDMN CCc1cc(CN2CCC(F)(F)[C@H](CO)C2)ccc1C#N ZINC001238766473 779385444 /nfs/dbraw/zinc/38/54/44/779385444.db2.gz MDRPKDIWJSIWOM-HNNXBMFYSA-N 0 1 294.345 2.570 20 30 CFEDMN N#CCCCC(=O)NCc1ccc(Nc2ccncc2)cc1 ZINC001168514513 779427355 /nfs/dbraw/zinc/42/73/55/779427355.db2.gz ZOVXJEKXNMCPMU-UHFFFAOYSA-N 0 1 294.358 2.557 20 30 CFEDMN CCOc1cc(C)c(-c2cc3[nH]cnc3c(C#N)n2)cn1 ZINC001238972668 779427953 /nfs/dbraw/zinc/42/79/53/779427953.db2.gz SOTVPJHGUPNLLF-UHFFFAOYSA-N 0 1 279.303 2.599 20 30 CFEDMN COc1cc(SC)c(-c2cc3[nH]cnc3c(C#N)n2)cn1 ZINC001239039142 779448452 /nfs/dbraw/zinc/44/84/52/779448452.db2.gz FWSCAMVJZDOEDI-UHFFFAOYSA-N 0 1 297.343 2.622 20 30 CFEDMN CCCCCCC[C@H](C)NC(=O)N1CCNC[C@@H]1C ZINC001239282604 779500402 /nfs/dbraw/zinc/50/04/02/779500402.db2.gz GRIBZBKRIUHXCG-KBPBESRZSA-N 0 1 269.433 2.739 20 30 CFEDMN CCCCCCCCCOC(=O)N[C@@]1(C#N)CCNC1 ZINC001239319948 779512591 /nfs/dbraw/zinc/51/25/91/779512591.db2.gz XXCCLQHKATTXQF-OAHLLOKOSA-N 0 1 281.400 2.719 20 30 CFEDMN CCCCCCCCOC(=O)N1CC[C@@H]2OCCN[C@H]2C1 ZINC001239331858 779520915 /nfs/dbraw/zinc/52/09/15/779520915.db2.gz NFFKGOXJKYTNHU-GJZGRUSLSA-N 0 1 298.427 2.546 20 30 CFEDMN C#CCN1CC(C)(C)CC[C@@H]1CNC(=O)C1CCCCC1 ZINC001089601876 779538366 /nfs/dbraw/zinc/53/83/66/779538366.db2.gz QYOFCRAKIPSRNT-MRXNPFEDSA-N 0 1 290.451 2.807 20 30 CFEDMN C=CC[N@@H+]1CC(C)(C)CC[C@@H]1CNC(=O)c1ccc(C)o1 ZINC001089606187 779542936 /nfs/dbraw/zinc/54/29/36/779542936.db2.gz XJVNOZOINCXIKN-CQSZACIVSA-N 0 1 290.407 2.994 20 30 CFEDMN C=CCN1CC(C)(C)CC[C@@H]1CNC(=O)c1ccc(C)o1 ZINC001089606187 779542943 /nfs/dbraw/zinc/54/29/43/779542943.db2.gz XJVNOZOINCXIKN-CQSZACIVSA-N 0 1 290.407 2.994 20 30 CFEDMN C=CCN1CC(CNC(=O)c2coc3c2cccc3C)C1 ZINC001031734738 779558060 /nfs/dbraw/zinc/55/80/60/779558060.db2.gz GSCSUNLOOQMCOR-UHFFFAOYSA-N 0 1 284.359 2.589 20 30 CFEDMN CCCCCCCCC(=O)C(C#N)C(=O)NC(C)C ZINC000130797033 779562816 /nfs/dbraw/zinc/56/28/16/779562816.db2.gz MFLXJUBAUQBNAV-CYBMUJFWSA-N 0 1 266.385 2.970 20 30 CFEDMN N#Cc1ccc(-c2cc3[nH]cnc3c(C#N)n2)c(F)c1 ZINC001236525383 779574763 /nfs/dbraw/zinc/57/47/63/779574763.db2.gz JFGVMPLFNUMTFQ-UHFFFAOYSA-N 0 1 263.235 2.507 20 30 CFEDMN COc1ccc(-c2cc3[nH]cnc3c(C#N)n2)cc1 ZINC001239482769 779585123 /nfs/dbraw/zinc/58/51/23/779585123.db2.gz JXGDOUJKPCUUQH-UHFFFAOYSA-N 0 1 250.261 2.505 20 30 CFEDMN C=CCN1CC(CNC(=O)c2cccc3c2CCCCC3)C1 ZINC001031753564 779589178 /nfs/dbraw/zinc/58/91/78/779589178.db2.gz QUHNFRJMPIMAMV-UHFFFAOYSA-N 0 1 298.430 2.803 20 30 CFEDMN C=C(C)CN1CC(CNC(=O)[C@H]2CCCc3ccccc32)C1 ZINC001031771905 779599254 /nfs/dbraw/zinc/59/92/54/779599254.db2.gz ATZQTHDSNWJCPY-SFHVURJKSA-N 0 1 298.430 2.731 20 30 CFEDMN C=C(C)CN1CC(CNC(=O)[C@H]2[C@@H](C=C(C)C)C2(C)C)C1 ZINC001031829859 779632419 /nfs/dbraw/zinc/63/24/19/779632419.db2.gz GVRRVPXJDTWDJS-HZPDHXFCSA-N 0 1 290.451 2.849 20 30 CFEDMN C=C(C)CN1CC(CNC(=O)c2cc3ccc(C)cc3[nH]2)C1 ZINC001031883550 779659957 /nfs/dbraw/zinc/65/99/57/779659957.db2.gz UQIGCDVFUMZVDF-UHFFFAOYSA-N 0 1 297.402 2.714 20 30 CFEDMN C=C(C)CN1CC(CNC(=O)c2cc3cc(C)ccc3[nH]2)C1 ZINC001031890449 779660939 /nfs/dbraw/zinc/66/09/39/779660939.db2.gz VMXGOZKRNGAYRX-UHFFFAOYSA-N 0 1 297.402 2.714 20 30 CFEDMN C=C(C)CN1CC(CNC(=O)c2ccc(F)c(Cl)c2)C1 ZINC001031938758 779677829 /nfs/dbraw/zinc/67/78/29/779677829.db2.gz KGARAGRTCDBOBN-UHFFFAOYSA-N 0 1 296.773 2.717 20 30 CFEDMN C=C(C)CN1CC(CNC(=O)c2cc(F)cc(Cl)c2)C1 ZINC001032002654 779705162 /nfs/dbraw/zinc/70/51/62/779705162.db2.gz QHZVKKBFWSPBBW-UHFFFAOYSA-N 0 1 296.773 2.717 20 30 CFEDMN C=C(C)CN1CC(CNC(=O)[C@H]2[C@@H]3CCCCCC[C@@H]32)C1 ZINC001032005273 779706250 /nfs/dbraw/zinc/70/62/50/779706250.db2.gz GZSYWAGRQXIKBB-FVQHAEBGSA-N 0 1 290.451 2.827 20 30 CFEDMN C=C(C)CN1CC(CNC(=O)c2ccc(C(F)F)cc2)C1 ZINC001032054919 779724178 /nfs/dbraw/zinc/72/41/78/779724178.db2.gz JIVMVOBACPWJMP-UHFFFAOYSA-N 0 1 294.345 2.862 20 30 CFEDMN C=CCN1CC(CNC(=O)c2[nH]c3ccc(C)cc3c2C)C1 ZINC001032093974 779734321 /nfs/dbraw/zinc/73/43/21/779734321.db2.gz ALZHFRAGYXFWPD-UHFFFAOYSA-N 0 1 297.402 2.632 20 30 CFEDMN C=CCN1CC(CNC(=O)c2ccccc2C(F)(F)F)C1 ZINC001032142802 779746207 /nfs/dbraw/zinc/74/62/07/779746207.db2.gz AEHFWRFRJMGAOQ-UHFFFAOYSA-N 0 1 298.308 2.553 20 30 CFEDMN C=C(C)CN1CC(CNC(=O)c2cccc(Cl)c2)C1 ZINC001032144914 779747218 /nfs/dbraw/zinc/74/72/18/779747218.db2.gz FOWGWBQXSRYDLQ-UHFFFAOYSA-N 0 1 278.783 2.578 20 30 CFEDMN CS(=O)(=O)c1cccc(-c2nccc3[nH]cc(C#N)c32)c1 ZINC001239834176 779808336 /nfs/dbraw/zinc/80/83/36/779808336.db2.gz OSOCANBFASZNQC-UHFFFAOYSA-N 0 1 297.339 2.505 20 30 CFEDMN C=C(Cl)CN1CC[C@@]2(CNC(=O)CC)CCC[C@@H]12 ZINC001107246765 779822494 /nfs/dbraw/zinc/82/24/94/779822494.db2.gz NNHMQTIJQDGVMX-TZMCWYRMSA-N 0 1 270.804 2.510 20 30 CFEDMN C=CCCN1CCO[C@](C)(CNC(=O)C=C(CC)CC)C1 ZINC001107863972 779914310 /nfs/dbraw/zinc/91/43/10/779914310.db2.gz LOSSPZDVZADQBH-QGZVFWFLSA-N 0 1 294.439 2.516 20 30 CFEDMN COc1ccc(-c2cc3[nH]cnc3c(C#N)n2)c(F)c1 ZINC001240018154 779915808 /nfs/dbraw/zinc/91/58/08/779915808.db2.gz SOLLZSRYHSFGKN-UHFFFAOYSA-N 0 1 268.251 2.644 20 30 CFEDMN CCCCCCCCCOC(=O)N1CCN[C@H]2C[C@H]21 ZINC001239332940 779934847 /nfs/dbraw/zinc/93/48/47/779934847.db2.gz ZJKAQBGTEKKXCF-UONOGXRCSA-N 0 1 268.401 2.920 20 30 CFEDMN C=C(C)CC[N@H+]1CCO[C@@](C)(CNC(=O)/C=C(/C)CC)C1 ZINC001107923522 779940434 /nfs/dbraw/zinc/94/04/34/779940434.db2.gz FCFWIJKOFDNGHN-HKBKRHGFSA-N 0 1 294.439 2.516 20 30 CFEDMN C=C(C)CCN1CCO[C@@](C)(CNC(=O)/C=C(/C)CC)C1 ZINC001107923522 779940437 /nfs/dbraw/zinc/94/04/37/779940437.db2.gz FCFWIJKOFDNGHN-HKBKRHGFSA-N 0 1 294.439 2.516 20 30 CFEDMN C=C(Cl)C(C)(C)C(=O)N1C[C@@H]2C[C@H]1C[N@@H+]2CC(C)C ZINC001032423040 779952081 /nfs/dbraw/zinc/95/20/81/779952081.db2.gz SFRINNBUXOZCJO-STQMWFEESA-N 0 1 284.831 2.706 20 30 CFEDMN C=C(C)CN1C[C@@H]2C[C@H]1CN2C(=O)C[C@@H]1C=CCCC1 ZINC001032471083 779963034 /nfs/dbraw/zinc/96/30/34/779963034.db2.gz NBSNIXBWFXAXHV-PMPSAXMXSA-N 0 1 274.408 2.594 20 30 CFEDMN C=C(C)CN1C[C@@H]2C[C@H]1CN2C(=O)Cc1cccc(CC)c1 ZINC001032482644 779975453 /nfs/dbraw/zinc/97/54/53/779975453.db2.gz HFRFKGQNGYGPNQ-ROUUACIJSA-N 0 1 298.430 2.653 20 30 CFEDMN C=C(C)CN1C[C@@H]2C[C@H]1CN2C(=O)C[C@H]1CC=CCC1 ZINC001032566195 780040896 /nfs/dbraw/zinc/04/08/96/780040896.db2.gz HLPDETCWKQILFG-JYJNAYRXSA-N 0 1 274.408 2.594 20 30 CFEDMN C=C(C)CCN1C[C@@H]2C[C@H]1CN2C(=O)c1occc1Cl ZINC001032609599 780071365 /nfs/dbraw/zinc/07/13/65/780071365.db2.gz AQKFLRBBYASIAD-RYUDHWBXSA-N 0 1 294.782 2.798 20 30 CFEDMN C=CCCN1C[C@@H]2C[C@H]1CN2C(=O)c1cc(C)cc(F)c1 ZINC001032645308 780111073 /nfs/dbraw/zinc/11/10/73/780111073.db2.gz LNLWGDYISUEGEV-HOTGVXAUSA-N 0 1 288.366 2.609 20 30 CFEDMN C=CCCN1C[C@@H]2C[C@H]1CN2C(=O)c1cc(C)ccc1F ZINC001032648514 780113995 /nfs/dbraw/zinc/11/39/95/780113995.db2.gz AWZUBALJMCRSFN-KBPBESRZSA-N 0 1 288.366 2.609 20 30 CFEDMN COc1ccc([C@@H]2C[C@H](N(C)CCC#N)CCO2)cc1 ZINC001168628397 780121991 /nfs/dbraw/zinc/12/19/91/780121991.db2.gz DXERAVIAYOWXRH-ZBFHGGJFSA-N 0 1 274.364 2.761 20 30 CFEDMN COc1ccc(NC(=O)C(C#N)C(=O)CC(C)(C)C)cc1 ZINC000131630738 780126973 /nfs/dbraw/zinc/12/69/73/780126973.db2.gz LRTBUKTZXZHYKI-ZDUSSCGKSA-N 0 1 288.347 2.779 20 30 CFEDMN COc1ccc(NC(=O)C(C#N)C(=O)CC(C)(C)C)cc1 ZINC000131630512 780127456 /nfs/dbraw/zinc/12/74/56/780127456.db2.gz LRTBUKTZXZHYKI-CYBMUJFWSA-N 0 1 288.347 2.779 20 30 CFEDMN COc1ccc(NC(=O)C(C#N)C(=O)C2CCCC2)cc1 ZINC000131625747 780127588 /nfs/dbraw/zinc/12/75/88/780127588.db2.gz SVUCEDNWRLXCIJ-CQSZACIVSA-N 0 1 286.331 2.533 20 30 CFEDMN C=CCN1C[C@@]2(CC1=O)CCCCN2Cc1cncc(C)c1 ZINC001272838510 780170249 /nfs/dbraw/zinc/17/02/49/780170249.db2.gz CHOYXGPDBILOLK-SFHVURJKSA-N 0 1 299.418 2.533 20 30 CFEDMN C=CCCN1C[C@@H]2C[C@H]1CN2C(=O)C1(c2ccccc2)CC1 ZINC001032767482 780202370 /nfs/dbraw/zinc/20/23/70/780202370.db2.gz VLCVNILMAFLIDQ-IRXDYDNUSA-N 0 1 296.414 2.579 20 30 CFEDMN N#Cc1c[nH]c2ccnc(-c3cnn(CC4CC4)c3)c12 ZINC001240511452 780215748 /nfs/dbraw/zinc/21/57/48/780215748.db2.gz JDEHOGFSKPGJBW-UHFFFAOYSA-N 0 1 263.304 2.708 20 30 CFEDMN C=CCCN1C[C@@H]2C[C@H]1CN2C(=O)C1(C)C(C)(C)C1(C)C ZINC001032821830 780323050 /nfs/dbraw/zinc/32/30/50/780323050.db2.gz YVLZDMGIDOUQMK-KBPBESRZSA-N 0 1 290.451 2.920 20 30 CFEDMN N#CC1(CN[C@@H]2CCc3ccccc3OC2)CCC1 ZINC000450935501 780345229 /nfs/dbraw/zinc/34/52/29/780345229.db2.gz GTMNOLJUJIGNPS-CQSZACIVSA-N 0 1 256.349 2.664 20 30 CFEDMN C=CCCN1CC(N(C)C(=O)CC2CC(C)(C)C2)C1 ZINC001043615247 780358950 /nfs/dbraw/zinc/35/89/50/780358950.db2.gz HQWJTEJNECRHCC-UHFFFAOYSA-N 0 1 264.413 2.531 20 30 CFEDMN C=C(C)CCC(=O)NCCNCc1cccc(F)c1F ZINC001128404812 780428006 /nfs/dbraw/zinc/42/80/06/780428006.db2.gz DWTPYNARXKLTQE-UHFFFAOYSA-N 0 1 282.334 2.527 20 30 CFEDMN Cc1ccc(C#N)nc1-c1ccc(N2CCN(C)CC2)cc1 ZINC001240848246 780474461 /nfs/dbraw/zinc/47/44/61/780474461.db2.gz CBMSVUADEQMUFT-UHFFFAOYSA-N 0 1 292.386 2.681 20 30 CFEDMN C=C(C)CN1CC[C@H](N(C)C(=O)c2ccoc2Cl)C1 ZINC001033032851 780537345 /nfs/dbraw/zinc/53/73/45/780537345.db2.gz LHBRLKLBBKYKLX-NSHDSACASA-N 0 1 282.771 2.655 20 30 CFEDMN C=C(C)CN1CC[C@H](N(C)C(=O)c2c(C)coc2C)C1 ZINC001033047265 780542048 /nfs/dbraw/zinc/54/20/48/780542048.db2.gz GRSDWUGRDABMBB-AWEZNQCLSA-N 0 1 276.380 2.619 20 30 CFEDMN C=C(C)CN1CC[C@@H](N(C)C(=O)c2c(C)coc2C)C1 ZINC001033047268 780542245 /nfs/dbraw/zinc/54/22/45/780542245.db2.gz GRSDWUGRDABMBB-CQSZACIVSA-N 0 1 276.380 2.619 20 30 CFEDMN C#CCCN1CC[C@@H](N(C)C(=O)c2sc(C)cc2C)C1 ZINC001033119439 780575055 /nfs/dbraw/zinc/57/50/55/780575055.db2.gz MIRJJMZCGWNWJJ-CQSZACIVSA-N 0 1 290.432 2.535 20 30 CFEDMN C#CC[N@@H+]1CC[C@H](N(C)C(=O)c2ccc(C3CCC3)cc2)C1 ZINC001033130683 780577798 /nfs/dbraw/zinc/57/77/98/780577798.db2.gz HIFWTHQFAVKKIF-SFHVURJKSA-N 0 1 296.414 2.734 20 30 CFEDMN C#CCN1CC[C@H](N(C)C(=O)c2ccc(C3CCC3)cc2)C1 ZINC001033130683 780577801 /nfs/dbraw/zinc/57/78/01/780577801.db2.gz HIFWTHQFAVKKIF-SFHVURJKSA-N 0 1 296.414 2.734 20 30 CFEDMN Cc1ccc(-c2ncc3c(C#N)c[nH]c3n2)c(O)c1 ZINC001241036121 780607257 /nfs/dbraw/zinc/60/72/57/780607257.db2.gz OGBVNINKHDXUHV-UHFFFAOYSA-N 0 1 250.261 2.511 20 30 CFEDMN C=CCN1CC[C@@H](N(C)C(=O)c2cc(C)sc2C)C1 ZINC001033238958 780627055 /nfs/dbraw/zinc/62/70/55/780627055.db2.gz UBPRSJOHFPVTFQ-CYBMUJFWSA-N 0 1 278.421 2.697 20 30 CFEDMN C=C(C)CN1CC[C@H](N(C)C(=O)c2cc(C(C)C)on2)C1 ZINC001033305470 780646015 /nfs/dbraw/zinc/64/60/15/780646015.db2.gz GTOZGJQPAUQYBY-ZDUSSCGKSA-N 0 1 291.395 2.520 20 30 CFEDMN C=CCN1CC[C@H](N(C)C(=O)[C@@H]2CCCC2(C)C)C1 ZINC001033338585 780660389 /nfs/dbraw/zinc/66/03/89/780660389.db2.gz FZYPTSHZIHNEGY-KBPBESRZSA-N 0 1 264.413 2.531 20 30 CFEDMN C=CCN1CC[C@@H](N(C)C(=O)c2c(F)ccc(C)c2F)C1 ZINC001033386650 780673710 /nfs/dbraw/zinc/67/37/10/780673710.db2.gz BRZHAKJLOPLVGU-GFCCVEGCSA-N 0 1 294.345 2.606 20 30 CFEDMN C=C1CC(C)(C(=O)N(C)[C@@H]2CCN(C[C@H](F)CC)C2)C1 ZINC001033399623 780678391 /nfs/dbraw/zinc/67/83/91/780678391.db2.gz PKGXJBIHEVOHBT-ZIAGYGMSSA-N 0 1 282.403 2.624 20 30 CFEDMN C=C(C)C[N@@H+]1CC[C@@H](N(C)C(=O)c2ccc3cc[nH]c3c2)C1 ZINC001033456546 780686416 /nfs/dbraw/zinc/68/64/16/780686416.db2.gz XGPJEAUMAQUREF-MRXNPFEDSA-N 0 1 297.402 2.890 20 30 CFEDMN C=CC[N@@H+]1CC[C@H](N(C)C(=O)[C@@H](C)c2cccc(C)c2)C1 ZINC001033457829 780687105 /nfs/dbraw/zinc/68/71/05/780687105.db2.gz DVBIAJYLNJQBKW-RDJZCZTQSA-N 0 1 286.419 2.817 20 30 CFEDMN C=CCN1CC[C@H](N(C)C(=O)[C@@H](C)c2cccc(C)c2)C1 ZINC001033457829 780687115 /nfs/dbraw/zinc/68/71/15/780687115.db2.gz DVBIAJYLNJQBKW-RDJZCZTQSA-N 0 1 286.419 2.817 20 30 CFEDMN C=C(C)CN1CC[C@@H](N(C)C(=O)[C@H](F)c2ccccc2)C1 ZINC001033462196 780688809 /nfs/dbraw/zinc/68/88/09/780688809.db2.gz SBHCAVPDBZKNMC-HZPDHXFCSA-N 0 1 290.382 2.806 20 30 CFEDMN C=CCN1CC[C@H](N(C)C(=O)c2csc(Cl)c2)C1 ZINC001033470870 780690413 /nfs/dbraw/zinc/69/04/13/780690413.db2.gz FGFZMHGGUGMUAH-NSHDSACASA-N 0 1 284.812 2.734 20 30 CFEDMN C#CCCN1CC[C@H](N(C)C(=O)c2cc(Cl)cs2)C1 ZINC001033473125 780694063 /nfs/dbraw/zinc/69/40/63/780694063.db2.gz FQRVJKITAHQXBE-LBPRGKRZSA-N 0 1 296.823 2.571 20 30 CFEDMN C=CCN1CC[C@H](N(C)C(=O)[C@@H]2C[C@H]2c2cccc(C)c2)C1 ZINC001033502355 780695306 /nfs/dbraw/zinc/69/53/06/780695306.db2.gz OKUJTEVZEAHTFG-OKZBNKHCSA-N 0 1 298.430 2.817 20 30 CFEDMN C=C(C)CN1CC[C@@H](N(C)C(=O)c2cnoc2C(C)C)C1 ZINC001033553000 780713284 /nfs/dbraw/zinc/71/32/84/780713284.db2.gz FVHDSBINYSDFMZ-CYBMUJFWSA-N 0 1 291.395 2.520 20 30 CFEDMN C#CCN1CC[C@H](N(C)C(=O)C[C@@H]2CCCC(C)(C)C2)C1 ZINC001033594247 780721627 /nfs/dbraw/zinc/72/16/27/780721627.db2.gz LWDUUPFZAIORDG-HOTGVXAUSA-N 0 1 290.451 2.759 20 30 CFEDMN CN(C(=O)C(C)(C)C)[C@@H]1CCN(Cc2cccc(C#N)c2)C1 ZINC001033601743 780724934 /nfs/dbraw/zinc/72/49/34/780724934.db2.gz BYCFYSYZILPIMP-MRXNPFEDSA-N 0 1 299.418 2.637 20 30 CFEDMN C=C(Cl)CNCCNC(=O)c1cccc(OCCC)c1 ZINC001128702049 780731686 /nfs/dbraw/zinc/73/16/86/780731686.db2.gz XIKBHBXETZPKHL-UHFFFAOYSA-N 0 1 296.798 2.547 20 30 CFEDMN C=CCN1CC[C@@H](N(C)C(=O)c2ccc3c(c2)CCCC3)C1 ZINC001033639173 780739057 /nfs/dbraw/zinc/73/90/57/780739057.db2.gz CZBKXOUUTSEJBS-GOSISDBHSA-N 0 1 298.430 2.898 20 30 CFEDMN C=CCN1CC[C@H](N(C)C(=O)c2cc3c(s2)CCC3)C1 ZINC001033638338 780739170 /nfs/dbraw/zinc/73/91/70/780739170.db2.gz AQFSPBTYUAAZQY-ZDUSSCGKSA-N 0 1 290.432 2.569 20 30 CFEDMN CC#CCN1CC[C@H](N(C)C(=O)[C@]2(C)CC=C(C)CC2)C1 ZINC001033677504 780747086 /nfs/dbraw/zinc/74/70/86/780747086.db2.gz BJVZLKUJMYXCFZ-FUHWJXTLSA-N 0 1 288.435 2.679 20 30 CFEDMN C=CCN1CC[C@H](N(C)C(=O)c2cncc3ccccc32)C1 ZINC001033682033 780749222 /nfs/dbraw/zinc/74/92/22/780749222.db2.gz ZIMKSTDOBOEZFW-HNNXBMFYSA-N 0 1 295.386 2.567 20 30 CFEDMN C=CCN1CC[C@H](N(C)C(=O)C2(c3cccc(C)c3)CC2)C1 ZINC001033688206 780750559 /nfs/dbraw/zinc/75/05/59/780750559.db2.gz IZWDSLDSDDGZLE-KRWDZBQOSA-N 0 1 298.430 2.745 20 30 CFEDMN C=CCN1CC[C@H](N(C)C(=O)c2ccc(C)c3c2CCC3)C1 ZINC001033692488 780750825 /nfs/dbraw/zinc/75/08/25/780750825.db2.gz IVLICEHTSYUQNM-HNNXBMFYSA-N 0 1 298.430 2.816 20 30 CFEDMN C=CCN1CC[C@@H](N(C)C(=O)c2cccc(C3CC3)c2)C1 ZINC001033693325 780750933 /nfs/dbraw/zinc/75/09/33/780750933.db2.gz SLRDBRBSKFANFK-QGZVFWFLSA-N 0 1 284.403 2.896 20 30 CFEDMN CC#CCN1CC[C@@H](N(C)C(=O)C2(C)C(C)(C)C2(C)C)C1 ZINC001033708238 780756163 /nfs/dbraw/zinc/75/61/63/780756163.db2.gz WGUVQAHBYGGPPG-CQSZACIVSA-N 0 1 290.451 2.615 20 30 CFEDMN C=C(C)CN1CC[C@@H](N(CC)C(=O)c2cccs2)C1 ZINC001033734565 780769816 /nfs/dbraw/zinc/76/98/16/780769816.db2.gz FLTGFGPDNROPJC-CYBMUJFWSA-N 0 1 278.421 2.861 20 30 CFEDMN C=CCN1CC[C@@H](N(CC)C(=O)c2c(C)coc2C)C1 ZINC001033820330 780800160 /nfs/dbraw/zinc/80/01/60/780800160.db2.gz MPKUSRHPCGGJFZ-CQSZACIVSA-N 0 1 276.380 2.619 20 30 CFEDMN C#CC[N@@H+]1CC[C@H](N(CC)C(=O)[C@H]2CCCC3(CC3)C2)C1 ZINC001033834139 780804062 /nfs/dbraw/zinc/80/40/62/780804062.db2.gz TVISGZQRWWHZJL-HOTGVXAUSA-N 0 1 288.435 2.513 20 30 CFEDMN C#CCN1CC[C@H](N(CC)C(=O)[C@H]2CCCC3(CC3)C2)C1 ZINC001033834139 780804068 /nfs/dbraw/zinc/80/40/68/780804068.db2.gz TVISGZQRWWHZJL-HOTGVXAUSA-N 0 1 288.435 2.513 20 30 CFEDMN C#CCN1CC[C@@H](N(CC)C(=O)[C@@H]2CCC(C)=C(C)C2)C1 ZINC001033849818 780807258 /nfs/dbraw/zinc/80/72/58/780807258.db2.gz JKMYXFOQQVNGAG-IAGOWNOFSA-N 0 1 288.435 2.679 20 30 CFEDMN C=CCN1CC[C@@H](N(CC)C(=O)[C@H]2CCC(F)(F)C2)C1 ZINC001033858402 780810023 /nfs/dbraw/zinc/81/00/23/780810023.db2.gz VUCIEBINCMCZQA-QWHCGFSZSA-N 0 1 286.366 2.531 20 30 CFEDMN C=CCN1CC[C@@H](N(CC)C(=O)c2coc(C(F)F)c2)C1 ZINC001033933747 780830821 /nfs/dbraw/zinc/83/08/21/780830821.db2.gz JNXKXHWHDKARFU-GFCCVEGCSA-N 0 1 298.333 2.940 20 30 CFEDMN COc1cc(CNCc2ccc(C)c(C#N)c2)sn1 ZINC000701842587 780849613 /nfs/dbraw/zinc/84/96/13/780849613.db2.gz BRHJKKXPJAOFTM-UHFFFAOYSA-N 0 1 273.361 2.622 20 30 CFEDMN CC#CCN1CC[C@H](N(CC)C(=O)c2csc(C)c2)C1 ZINC001033991511 780850988 /nfs/dbraw/zinc/85/09/88/780850988.db2.gz JXLHKHDKXXPXLW-HNNXBMFYSA-N 0 1 290.432 2.616 20 30 CFEDMN C#CCN1CC[C@H](N(CC)C(=O)[C@H]2CC[C@H](CC)CC2)C1 ZINC001034020768 780857026 /nfs/dbraw/zinc/85/70/26/780857026.db2.gz MYENRWGXFXEBMI-ULQDDVLXSA-N 0 1 290.451 2.759 20 30 CFEDMN C=CCN1CC[C@@H](N(CC)C(=O)c2cccn2C(C)C)C1 ZINC001034041246 780865840 /nfs/dbraw/zinc/86/58/40/780865840.db2.gz FPWOHLWUMXWPTK-OAHLLOKOSA-N 0 1 289.423 2.791 20 30 CFEDMN C=CCN1CC[C@H](N(CC)C(=O)C2CCC=CCC2)C1 ZINC001034041515 780865901 /nfs/dbraw/zinc/86/59/01/780865901.db2.gz GJWYUTMILJHDRG-INIZCTEOSA-N 0 1 276.424 2.842 20 30 CFEDMN CC#CCN1CCCC[C@H](NC(=O)CC2CCCCC2)C1 ZINC001034087317 780883165 /nfs/dbraw/zinc/88/31/65/780883165.db2.gz IZRUYFPKHHETGU-KRWDZBQOSA-N 0 1 290.451 2.951 20 30 CFEDMN CC(C)C(=O)N[C@@H]1CCCCN(Cc2ccc(C#N)cc2)C1 ZINC001034112715 780898013 /nfs/dbraw/zinc/89/80/13/780898013.db2.gz CZFADDGRQNRURP-QGZVFWFLSA-N 0 1 299.418 2.685 20 30 CFEDMN CC(C)C(=O)N[C@H]1CCCCN(Cc2ccc(C#N)cc2)C1 ZINC001034112713 780898505 /nfs/dbraw/zinc/89/85/05/780898505.db2.gz CZFADDGRQNRURP-KRWDZBQOSA-N 0 1 299.418 2.685 20 30 CFEDMN C#C[C@@H](NCc1cc(OC)ccc1OC)C(C)(C)C ZINC000702292516 780903678 /nfs/dbraw/zinc/90/36/78/780903678.db2.gz QSOUZJJQVCBDNG-OAHLLOKOSA-N 0 1 261.365 2.841 20 30 CFEDMN C=CC[N@@H+]1CCCC[C@@H](NC(=O)CC2CC(F)(F)C2)C1 ZINC001034276928 780937903 /nfs/dbraw/zinc/93/79/03/780937903.db2.gz TWOBEOUERYHNEU-CYBMUJFWSA-N 0 1 286.366 2.579 20 30 CFEDMN N#CCc1nccnc1C1=CCN(Cc2ccccc2)CC1 ZINC001241501867 780946850 /nfs/dbraw/zinc/94/68/50/780946850.db2.gz WPDYQZKWHZBRPH-UHFFFAOYSA-N 0 1 290.370 2.832 20 30 CFEDMN CC#CC[N@H+]1CCCC[C@@H](NC(=O)C[C@@H]2CC=CCC2)C1 ZINC001034350388 780952953 /nfs/dbraw/zinc/95/29/53/780952953.db2.gz DSQZRGUEKVFCDZ-IAGOWNOFSA-N 0 1 288.435 2.727 20 30 CFEDMN CC#CCN1CCCC[C@@H](NC(=O)C[C@@H]2CC=CCC2)C1 ZINC001034350388 780952960 /nfs/dbraw/zinc/95/29/60/780952960.db2.gz DSQZRGUEKVFCDZ-IAGOWNOFSA-N 0 1 288.435 2.727 20 30 CFEDMN C=CCN1CCCC[C@@H](NC(=O)c2cc(C)ccc2F)C1 ZINC001034414098 780970780 /nfs/dbraw/zinc/97/07/80/780970780.db2.gz USLWNQOPJOBGSY-CQSZACIVSA-N 0 1 290.382 2.904 20 30 CFEDMN C=CCN1CCCC[C@@H](NC(=O)c2ccc(C3CC3)cn2)C1 ZINC001034510100 780988831 /nfs/dbraw/zinc/98/88/31/780988831.db2.gz BRPNRVOKRKIFCT-MRXNPFEDSA-N 0 1 299.418 2.729 20 30 CFEDMN CC#CCN1CCCC[C@@H](NC(=O)c2ccc(C)cc2C)C1 ZINC001034520320 780992828 /nfs/dbraw/zinc/99/28/28/780992828.db2.gz VFFGXWNKQBCCGS-QGZVFWFLSA-N 0 1 298.430 2.911 20 30 CFEDMN C=CCN1CCCC[C@H](NC(=O)c2nc(C)c(C)s2)C1 ZINC001034532221 780993201 /nfs/dbraw/zinc/99/32/01/780993201.db2.gz MDGBJDIQTQQYBA-ZDUSSCGKSA-N 0 1 293.436 2.530 20 30 CFEDMN Cc1[nH]nc2cc(-c3cc(F)cnc3C#N)ccc12 ZINC001241638201 781038034 /nfs/dbraw/zinc/03/80/34/781038034.db2.gz KGTIXXIXHHXHRF-UHFFFAOYSA-N 0 1 252.252 2.944 20 30 CFEDMN C=C[C@H](CC)CC(=O)NC[C@]1(C)CN(CCCC)CCO1 ZINC001108151826 781051026 /nfs/dbraw/zinc/05/10/26/781051026.db2.gz UZDQSTIVJRULAG-NVXWUHKLSA-N 0 1 296.455 2.596 20 30 CFEDMN COc1ccc(C#N)c(-c2ccc3n[nH]c(C)c3c2)n1 ZINC001241670899 781063206 /nfs/dbraw/zinc/06/32/06/781063206.db2.gz BXHXSKAOSVPSIR-UHFFFAOYSA-N 0 1 264.288 2.814 20 30 CFEDMN N#Cc1cnc2cc[nH]c(-c3ccc4nc[nH]c4c3)c1-2 ZINC001241687814 781073291 /nfs/dbraw/zinc/07/32/91/781073291.db2.gz BQZATZCYHOIKOD-UHFFFAOYSA-N 0 1 259.272 2.978 20 30 CFEDMN C=CCN1CC2(C1)CCN(C(=O)c1[nH]ccc1C1CC1)CC2 ZINC001035717980 781159221 /nfs/dbraw/zinc/15/92/21/781159221.db2.gz AVBLEFYEUBADDQ-UHFFFAOYSA-N 0 1 299.418 2.616 20 30 CFEDMN C=CCN1CC2(C1)CCN(C(=O)c1ccoc1CC)CC2 ZINC001035697873 781159939 /nfs/dbraw/zinc/15/99/39/781159939.db2.gz IVGOFPSONMZAMN-UHFFFAOYSA-N 0 1 288.391 2.566 20 30 CFEDMN C=CCN1CC2(C1)CCN(C(=O)C[C@H]1CCC[C@H]1C)CC2 ZINC001035714177 781160660 /nfs/dbraw/zinc/16/06/60/781160660.db2.gz FHJHOJDJSHTBBG-HZPDHXFCSA-N 0 1 290.451 2.923 20 30 CFEDMN C=CCN1CC2(C1)CCN(C(=O)[C@@H]1CCC[C@@H]3C[C@@H]31)CC2 ZINC001035738244 781162642 /nfs/dbraw/zinc/16/26/42/781162642.db2.gz YJEWCHHZFCXRTC-OAGGEKHMSA-N 0 1 288.435 2.533 20 30 CFEDMN C=CCN1CC2(C1)CCN(C(=O)[C@H]1CCCC[C@@H]1C)CC2 ZINC001035781262 781168039 /nfs/dbraw/zinc/16/80/39/781168039.db2.gz ORBNBJBFKMRARJ-HOTGVXAUSA-N 0 1 290.451 2.923 20 30 CFEDMN C=CCN1CC2(C1)CCN(C(=O)C1CCC(F)CC1)CC2 ZINC001035785255 781168843 /nfs/dbraw/zinc/16/88/43/781168843.db2.gz RGTLIWYPAMFMCN-UHFFFAOYSA-N 0 1 294.414 2.625 20 30 CFEDMN COc1ccc(-c2ccc3[nH]nnc3c2)c(CC#N)c1 ZINC001241941339 781195680 /nfs/dbraw/zinc/19/56/80/781195680.db2.gz JDVOPLNDKFDCKC-UHFFFAOYSA-N 0 1 264.288 2.700 20 30 CFEDMN COc1ccc(-c2ccc3nn[nH]c3c2)c(CC#N)c1 ZINC001241941339 781195684 /nfs/dbraw/zinc/19/56/84/781195684.db2.gz JDVOPLNDKFDCKC-UHFFFAOYSA-N 0 1 264.288 2.700 20 30 CFEDMN N#CCCOc1ccc(-c2ccc3[nH]nnc3c2)cc1 ZINC001241942565 781197130 /nfs/dbraw/zinc/19/71/30/781197130.db2.gz WGHWVCKKCNINHN-UHFFFAOYSA-N 0 1 264.288 2.917 20 30 CFEDMN N#CCCOc1ccc(-c2ccc3nn[nH]c3c2)cc1 ZINC001241942565 781197133 /nfs/dbraw/zinc/19/71/33/781197133.db2.gz WGHWVCKKCNINHN-UHFFFAOYSA-N 0 1 264.288 2.917 20 30 CFEDMN C#CCCCCC(=O)N1CC2(CN(Cc3ccccc3)C2)C1 ZINC000706781422 781201033 /nfs/dbraw/zinc/20/10/33/781201033.db2.gz KHNBAOBRFLFMRR-UHFFFAOYSA-N 0 1 296.414 2.524 20 30 CFEDMN N#Cc1ccc(-c2ccc(O)c(C(F)(F)F)c2)nn1 ZINC001242147925 781301049 /nfs/dbraw/zinc/30/10/49/781301049.db2.gz JKKJEOJKJIVTRP-UHFFFAOYSA-N 0 1 265.194 2.740 20 30 CFEDMN N#Cc1cc2nc(-c3ccc(F)cc3O)ccc2[nH]1 ZINC001242218341 781333640 /nfs/dbraw/zinc/33/36/40/781333640.db2.gz TVQKLKWVILLKKA-UHFFFAOYSA-N 0 1 253.236 2.946 20 30 CFEDMN Cc1cccc(-c2cc3[nH]cnc3c(C#N)n2)c1F ZINC001242235567 781339481 /nfs/dbraw/zinc/33/94/81/781339481.db2.gz NHGFIQHSMHVCBV-UHFFFAOYSA-N 0 1 252.252 2.944 20 30 CFEDMN COc1ccc(C(C)=O)cc1-c1cc2[nH]cnc2c(C#N)n1 ZINC001242265681 781349983 /nfs/dbraw/zinc/34/99/83/781349983.db2.gz PXTUOEIOGKHNFS-UHFFFAOYSA-N 0 1 292.298 2.708 20 30 CFEDMN CN(C)Cc1cccc(-c2cccnc2C#N)c1F ZINC001242312976 781390455 /nfs/dbraw/zinc/39/04/55/781390455.db2.gz KHAMKMVITLSVPF-UHFFFAOYSA-N 0 1 255.296 2.821 20 30 CFEDMN C=C(Cl)CN1CC[C@H]2CN(C(=O)C3=CCCC3)CC[C@@H]21 ZINC001036684656 781415826 /nfs/dbraw/zinc/41/58/26/781415826.db2.gz LKSGWRLCVBLBJW-GJZGRUSLSA-N 0 1 294.826 2.772 20 30 CFEDMN C=CCCCC(=O)NC[C@]1(C)CN(CCCCC)CCO1 ZINC001108171591 781424172 /nfs/dbraw/zinc/42/41/72/781424172.db2.gz MIOMZFVLWQWSKR-QGZVFWFLSA-N 0 1 296.455 2.740 20 30 CFEDMN C=C(Cl)CN1CC[C@@H]2CN(C(=O)C=C3CCC3)CC[C@@H]21 ZINC001036688835 781425160 /nfs/dbraw/zinc/42/51/60/781425160.db2.gz YRZYKJYQHRTPIR-CABCVRRESA-N 0 1 294.826 2.772 20 30 CFEDMN C=C(C)CCN1CCO[C@](C)(CNC(=O)C(C)(C)CC)C1 ZINC001108171667 781425240 /nfs/dbraw/zinc/42/52/40/781425240.db2.gz ODEORCWHGOWZTR-QGZVFWFLSA-N 0 1 296.455 2.596 20 30 CFEDMN N#Cc1cc(CN2CCC[C@H](CF)C2)ccc1F ZINC000711469705 781437986 /nfs/dbraw/zinc/43/79/86/781437986.db2.gz JIEFJUQHBYQGQM-GFCCVEGCSA-N 0 1 250.292 2.879 20 30 CFEDMN CCc1nc(Cl)nc(N=C(C)CC(C)=O)c1C ZINC001163738391 781564528 /nfs/dbraw/zinc/56/45/28/781564528.db2.gz YSAGJJFMDQOCFF-SREVYHEPSA-N 0 1 253.733 2.906 20 30 CFEDMN CSc1cc(C)nc(-c2ccc(O)c(C#N)c2)n1 ZINC001242562703 781601347 /nfs/dbraw/zinc/60/13/47/781601347.db2.gz ILXCVCGMUWVDLG-UHFFFAOYSA-N 0 1 257.318 2.751 20 30 CFEDMN CC#CCN1C[C@@H](C)[C@H](NC(=O)[C@@H]2C[C@H]2CC(C)(C)C)C1 ZINC001079729763 781618616 /nfs/dbraw/zinc/61/86/16/781618616.db2.gz ZFAWZWWRIAFNAB-QKPAOTATSA-N 0 1 290.451 2.519 20 30 CFEDMN C=CCN1C[C@@H](C)[C@H](NC(=O)c2ccc(C)cc2Cl)C1 ZINC001080487841 781663431 /nfs/dbraw/zinc/66/34/31/781663431.db2.gz PAJADJILBDYVQX-IUODEOHRSA-N 0 1 292.810 2.885 20 30 CFEDMN C=CCN1C[C@@H](C)[C@H](NC(=O)C23CCC(CC2)C3(C)C)C1 ZINC001080574279 781670136 /nfs/dbraw/zinc/67/01/36/781670136.db2.gz TVHZFYZKDQLIOW-XYSPPFBYSA-N 0 1 290.451 2.825 20 30 CFEDMN CC#CCN1C[C@@H](C)[C@H](NC(=O)C2CCC(C)(C)CC2)C1 ZINC001081016364 781695576 /nfs/dbraw/zinc/69/55/76/781695576.db2.gz ICPNOTYFOCZZHQ-GDBMZVCRSA-N 0 1 290.451 2.663 20 30 CFEDMN C#CCN1C[C@@H](C)[C@H](NC(=O)c2ccccc2CC(C)C)C1 ZINC001081020957 781696106 /nfs/dbraw/zinc/69/61/06/781696106.db2.gz GIAFORUBADYSNN-CRAIPNDOSA-N 0 1 298.430 2.568 20 30 CFEDMN C#CCN1C[C@@H](C)[C@H](NC(=O)CC2CCC(C)(C)CC2)C1 ZINC001081061304 781696662 /nfs/dbraw/zinc/69/66/62/781696662.db2.gz MSUFIXLIZLDZFH-GDBMZVCRSA-N 0 1 290.451 2.663 20 30 CFEDMN CC(C)(C)N1CCN(c2ncc(Cl)cc2C#N)CC1 ZINC001165090833 781733982 /nfs/dbraw/zinc/73/39/82/781733982.db2.gz IPEBONFAYPAWNC-UHFFFAOYSA-N 0 1 278.787 2.527 20 30 CFEDMN C=C[C@H](COC)N[C@@H](CC)c1cccc(OC)c1OC ZINC001118994316 781737976 /nfs/dbraw/zinc/73/79/76/781737976.db2.gz TYNXXRNIQCKHMJ-OCCSQVGLSA-N 0 1 279.380 2.946 20 30 CFEDMN C=C(Cl)CN[C@@H]1CN(C(=O)[C@H]2CC23CCCC3)C[C@H]1C ZINC001082842544 781746337 /nfs/dbraw/zinc/74/63/37/781746337.db2.gz NNHNDBZSLRACRC-MRVWCRGKSA-N 0 1 296.842 2.756 20 30 CFEDMN C=CCN1CC(C)(C)CC[C@@H]1CNC(=O)CCCC(C)=O ZINC001098901201 781767754 /nfs/dbraw/zinc/76/77/54/781767754.db2.gz YZFISXSGSILGKL-OAHLLOKOSA-N 0 1 294.439 2.539 20 30 CFEDMN N#Cc1c[nH]c2nc(-c3cccc(O)c3Cl)ncc12 ZINC001242801507 781767706 /nfs/dbraw/zinc/76/77/06/781767706.db2.gz UOSPIGZAZBXRAZ-UHFFFAOYSA-N 0 1 270.679 2.856 20 30 CFEDMN C=C(C)CN1CC[C@@H]2CN(C(=O)C(C)(C)C(=C)Cl)[C@@H]2C1 ZINC001084372267 781792007 /nfs/dbraw/zinc/79/20/07/781792007.db2.gz NFGZOOKOSPUHIG-ZIAGYGMSSA-N 0 1 296.842 2.874 20 30 CFEDMN C=CCN1CC[C@@H]2CN(C(=O)c3c[nH]c4ccccc34)[C@@H]2C1 ZINC001084492943 781797047 /nfs/dbraw/zinc/79/70/47/781797047.db2.gz WEJNRRPAAOSXBM-CXAGYDPISA-N 0 1 295.386 2.500 20 30 CFEDMN C=CCN1CC[C@@H]2CN(C(=O)Cc3cc(C)cc(C)c3)[C@@H]2C1 ZINC001084629471 781814270 /nfs/dbraw/zinc/81/42/70/781814270.db2.gz YXNNNMCRHNLHEJ-QZTJIDSGSA-N 0 1 298.430 2.565 20 30 CFEDMN C=CCN1CC[C@@H]2CN(C(=O)C34CCC(CC3)CC4)[C@@H]2C1 ZINC001084843437 781846137 /nfs/dbraw/zinc/84/61/37/781846137.db2.gz BLIHSNRIBGTRCP-GARNVTTQSA-N 0 1 288.435 2.676 20 30 CFEDMN COC[C@H](CC(C)(C)C)NCc1nc(C#N)cs1 ZINC000594517070 349439102 /nfs/dbraw/zinc/43/91/02/349439102.db2.gz UWDHJCLSRVIVPF-JTQLQIEISA-N 0 1 267.398 2.556 20 30 CFEDMN Cc1ccc(C#N)c(NCCN2CCc3ccccc3C2)n1 ZINC000127695916 187326437 /nfs/dbraw/zinc/32/64/37/187326437.db2.gz UNYPPHJURZWJOU-UHFFFAOYSA-N 0 1 292.386 2.732 20 30 CFEDMN COc1ccncc1CNCc1ccc(C2(C#N)CC2)cc1 ZINC000594940395 349521122 /nfs/dbraw/zinc/52/11/22/349521122.db2.gz BJOQDCPDRCEWFJ-UHFFFAOYSA-N 0 1 293.370 2.935 20 30 CFEDMN N#CC1(CNCc2ccnn2-c2ccncc2)CCCCC1 ZINC000594981567 349537595 /nfs/dbraw/zinc/53/75/95/349537595.db2.gz RMCURRGJTJZFTB-UHFFFAOYSA-N 0 1 295.390 2.831 20 30 CFEDMN C=C[C@H](C)N[C@@H](C)c1ccc([N+](=O)[O-])cc1OC ZINC000595023522 349554023 /nfs/dbraw/zinc/55/40/23/349554023.db2.gz ZXCSISSMQOZDAQ-UWVGGRQHSA-N 0 1 250.298 2.829 20 30 CFEDMN C=C[C@@H]1OCC[C@H]1N[C@H](C)c1ccc([N+](=O)[O-])cc1OC ZINC000595041665 349560829 /nfs/dbraw/zinc/56/08/29/349560829.db2.gz NVCCJAXMDSYUNP-HONMWMINSA-N 0 1 292.335 2.598 20 30 CFEDMN N#Cc1ccc(CCN2CCOC3(CCCC3)C2)cc1 ZINC000595345171 349607864 /nfs/dbraw/zinc/60/78/64/349607864.db2.gz NMBGCMKSRMYMRR-UHFFFAOYSA-N 0 1 270.376 2.746 20 30 CFEDMN CC[C@H]1CN(CCc2ccc(C#N)cc2)[C@@H](C)CO1 ZINC000595561033 349659638 /nfs/dbraw/zinc/65/96/38/349659638.db2.gz YQLYLLDOBWLDHX-BBRMVZONSA-N 0 1 258.365 2.600 20 30 CFEDMN CC(C)OCCCN1CCN(c2ccsc2C#N)CC1 ZINC000595632809 349683543 /nfs/dbraw/zinc/68/35/43/349683543.db2.gz QXIRBTBLEZXYDK-UHFFFAOYSA-N 0 1 293.436 2.557 20 30 CFEDMN C[C@@H](CO)[C@H]1CCCCN1Cc1cc(F)ccc1C#N ZINC000595671983 349695667 /nfs/dbraw/zinc/69/56/67/349695667.db2.gz GYENMARJRVLGRX-BLLLJJGKSA-N 0 1 276.355 2.680 20 30 CFEDMN C[C@H](c1cccc(C#N)c1)[N@@H+]1C[C@@H](C)[C@H](O)[C@@H](C)C1 ZINC000595743361 349721422 /nfs/dbraw/zinc/72/14/22/349721422.db2.gz MXTILLWWCZKNJF-IATRGZMQSA-N 0 1 258.365 2.568 20 30 CFEDMN N#Cc1c(CN2CCC[C@@](O)(C3CC3)C2)cn2ccccc12 ZINC000595748564 349722718 /nfs/dbraw/zinc/72/27/18/349722718.db2.gz AEWHITPFUKUPRD-SFHVURJKSA-N 0 1 295.386 2.548 20 30 CFEDMN N#Cc1ccc(CN2CCC([C@@H]3CCCCO3)CC2)nc1 ZINC000595785191 349732582 /nfs/dbraw/zinc/73/25/82/349732582.db2.gz WNJIVJGNXAREPY-KRWDZBQOSA-N 0 1 285.391 2.734 20 30 CFEDMN COC(=O)c1cccc(CN(C)C[C@H]2CC2(C)C)c1C#N ZINC000595909141 349766284 /nfs/dbraw/zinc/76/62/84/349766284.db2.gz MSZFORCLGLFJIS-CYBMUJFWSA-N 0 1 286.375 2.823 20 30 CFEDMN CCN(CCC#N)C(=O)CN[C@]1(c2ccccc2)CC1(C)C ZINC000595909100 349766783 /nfs/dbraw/zinc/76/67/83/349766783.db2.gz MHHKANFOOSLYPE-SFHVURJKSA-N 0 1 299.418 2.664 20 30 CFEDMN COc1cncc(/C=C/CCN2CC[C@](C)(C#N)C2)c1 ZINC000595841880 349753103 /nfs/dbraw/zinc/75/31/03/349753103.db2.gz OYYKWMRJRSEVPX-LLCTXKFZSA-N 0 1 271.364 2.729 20 30 CFEDMN CN(CC(=O)N(CCC#N)c1ccccc1)C[C@H]1CC1(C)C ZINC000595915514 349768454 /nfs/dbraw/zinc/76/84/54/349768454.db2.gz ZVDSRDZLQSXKRM-OAHLLOKOSA-N 0 1 299.418 2.911 20 30 CFEDMN C[C@@H](CN=c1[n-]c(C#N)c(Cl)s1)[N@H+]1CCC[C@H](C)C1 ZINC000596077594 349788446 /nfs/dbraw/zinc/78/84/46/349788446.db2.gz KXUGRNXWCAFRSW-UWVGGRQHSA-N 0 1 298.843 2.622 20 30 CFEDMN C[C@H]1CCCC[N@@H+]1CCCN=c1[n-]c(C#N)c(Cl)s1 ZINC000596062411 349784678 /nfs/dbraw/zinc/78/46/78/349784678.db2.gz QRYDIJCQRXYJOP-JTQLQIEISA-N 0 1 298.843 2.766 20 30 CFEDMN C[C@H]1CCCC[N@H+]1CCCN=c1[n-]c(C#N)c(Cl)s1 ZINC000596062411 349784681 /nfs/dbraw/zinc/78/46/81/349784681.db2.gz QRYDIJCQRXYJOP-JTQLQIEISA-N 0 1 298.843 2.766 20 30 CFEDMN Cc1ccc(C#N)cc1NC(=O)[C@H](C1CC1)N1CCCC1 ZINC000126524970 187245560 /nfs/dbraw/zinc/24/55/60/187245560.db2.gz HIEHEQTWVRUMBQ-INIZCTEOSA-N 0 1 283.375 2.680 20 30 CFEDMN CC[N@H+]1CC[C@@H](N(C)c2nc(C#N)c(Cl)s2)[C@@H](C)C1 ZINC000596135842 349803992 /nfs/dbraw/zinc/80/39/92/349803992.db2.gz BVFYJVSRPCUBPF-GXSJLCMTSA-N 0 1 298.843 2.835 20 30 CFEDMN CCc1nc(C(=O)N[C@@H]2CN(C)C[C@@H]2c2ccccc2)co1 ZINC000330064036 529705087 /nfs/dbraw/zinc/70/50/87/529705087.db2.gz QPBXEYJLFUITJF-ZIAGYGMSSA-N 0 1 299.374 2.639 20 30 CFEDMN CCc1nc(CNc2nc3ccccc3c(C)c2C#N)n[nH]1 ZINC000295012988 199299662 /nfs/dbraw/zinc/29/96/62/199299662.db2.gz TWJRRAIWGDNJFE-UHFFFAOYSA-N 0 1 292.346 2.708 20 30 CFEDMN CC[C@@H](C)N1CCN(c2nc(C#N)c(Cl)s2)CC1 ZINC000596258527 349844892 /nfs/dbraw/zinc/84/48/92/349844892.db2.gz KERJJCRPCCWKAC-SECBINFHSA-N 0 1 284.816 2.589 20 30 CFEDMN CCC(C)(C)OCCNc1nc(C#N)c(Cl)s1 ZINC000596266342 349847938 /nfs/dbraw/zinc/84/79/38/349847938.db2.gz ROGDNUINFDYWBN-UHFFFAOYSA-N 0 1 273.789 2.707 20 30 CFEDMN Cc1nn(C)cc1[C@@H](C)N[C@H]1CCc2ccc(C#N)cc21 ZINC000335661690 282300154 /nfs/dbraw/zinc/30/01/54/282300154.db2.gz RGZWTGDOSKJSGY-DIFFPNOSSA-N 0 1 280.375 2.938 20 30 CFEDMN Cc1cc(C(=O)N2CCC[C@@H]2[C@@H](C#N)c2ccccc2)n[nH]1 ZINC000075297913 347065624 /nfs/dbraw/zinc/06/56/24/347065624.db2.gz NENLSPQCIOPCDH-GOEBONIOSA-N 0 1 294.358 2.630 20 30 CFEDMN C[C@@H](NCC#Cc1cccc(Cl)c1)c1cnn(C)c1 ZINC000273255433 192090081 /nfs/dbraw/zinc/09/00/81/192090081.db2.gz CRMFHFMQEQCQFJ-GFCCVEGCSA-N 0 1 273.767 2.776 20 30 CFEDMN CC(C)CC(=O)N1CCCN(Cc2ccc(C#N)cc2)CC1 ZINC000023450932 346252437 /nfs/dbraw/zinc/25/24/37/346252437.db2.gz BQZABZGWVCHZSZ-UHFFFAOYSA-N 0 1 299.418 2.639 20 30 CFEDMN CCc1nnc(SCc2ccc(C#N)cc2F)[nH]1 ZINC000028473668 346275739 /nfs/dbraw/zinc/27/57/39/346275739.db2.gz JDZUPAHODQXIIU-UHFFFAOYSA-N 0 1 262.313 2.670 20 30 CFEDMN CCc1n[nH]c(SCc2ccc(C#N)cc2F)n1 ZINC000028473668 346275742 /nfs/dbraw/zinc/27/57/42/346275742.db2.gz JDZUPAHODQXIIU-UHFFFAOYSA-N 0 1 262.313 2.670 20 30 CFEDMN N#Cc1ccc(CNCc2ccc(C#N)cc2F)cc1 ZINC000037749198 346333468 /nfs/dbraw/zinc/33/34/68/346333468.db2.gz WDCBZLVMVYUERS-UHFFFAOYSA-N 0 1 265.291 2.859 20 30 CFEDMN Cc1nc(C)c(C(=O)[C@@H](C#N)c2cc(C)nc(C)n2)s1 ZINC000041574556 346353288 /nfs/dbraw/zinc/35/32/88/346353288.db2.gz ADFYAGVLUXTZJT-NSHDSACASA-N 0 1 286.360 2.657 20 30 CFEDMN Cc1nc(C)c(C(=O)C(C#N)c2cc(C)nc(C)n2)s1 ZINC000041574556 346353292 /nfs/dbraw/zinc/35/32/92/346353292.db2.gz ADFYAGVLUXTZJT-NSHDSACASA-N 0 1 286.360 2.657 20 30 CFEDMN CN(C)C(=O)c1cccc(CNCc2cccc(C#N)c2)c1 ZINC000046837331 346434605 /nfs/dbraw/zinc/43/46/05/346434605.db2.gz UJHPNYOAYSSSLT-UHFFFAOYSA-N 0 1 293.370 2.550 20 30 CFEDMN CC(C)CN(C)Cc1nnc(-c2ccc(C#N)cc2)o1 ZINC000075674053 347091872 /nfs/dbraw/zinc/09/18/72/347091872.db2.gz UUSBDDCMBQMYMZ-UHFFFAOYSA-N 0 1 270.336 2.696 20 30 CFEDMN C=C(C)CN(CC)CC(=O)NCCc1ccc(Cl)cc1 ZINC000057847905 346638487 /nfs/dbraw/zinc/63/84/87/346638487.db2.gz YRLVDGODLVJDLP-UHFFFAOYSA-N 0 1 294.826 2.897 20 30 CFEDMN C[C@@H](CNc1ccc(C#N)c(Cl)c1)CN1CCOCC1 ZINC000077995744 347224286 /nfs/dbraw/zinc/22/42/86/347224286.db2.gz JGWJNPQMIALDRA-LBPRGKRZSA-N 0 1 293.798 2.592 20 30 CFEDMN C#CCCN1CCN(c2nc(-c3ccccc3)cs2)CC1 ZINC000091480509 347589338 /nfs/dbraw/zinc/58/93/38/347589338.db2.gz DXHVCAADTRPCOG-UHFFFAOYSA-N 0 1 297.427 2.955 20 30 CFEDMN C=CCCC[C@@H](C)N1CCN(c2nc(CC)ns2)CC1 ZINC000091512695 347591488 /nfs/dbraw/zinc/59/14/88/347591488.db2.gz RBKLFXGJASXUIN-CYBMUJFWSA-N 0 1 294.468 2.967 20 30 CFEDMN CC(C)C[C@@H]1CCCN(CC(=O)N[C@@](C)(C#N)C2CC2)C1 ZINC000119169950 347801040 /nfs/dbraw/zinc/80/10/40/347801040.db2.gz BSGNLDDVJCCKOG-YOEHRIQHSA-N 0 1 291.439 2.553 20 30 CFEDMN CN(C(=O)c1c(O)cccc1F)c1cccc(C#N)c1 ZINC000120868408 347809351 /nfs/dbraw/zinc/80/93/51/347809351.db2.gz LVHZMAXPPRIGNX-UHFFFAOYSA-N 0 1 270.263 2.680 20 30 CFEDMN C#CCCCCNC(=O)[C@H]1CCCN1Cc1ccccc1 ZINC000156262337 347993457 /nfs/dbraw/zinc/99/34/57/347993457.db2.gz NSNIMQDGZVKEDD-QGZVFWFLSA-N 0 1 284.403 2.571 20 30 CFEDMN C#CCCCCNC(=O)[C@@H]1CCCN1Cc1ccccc1 ZINC000156262244 347993799 /nfs/dbraw/zinc/99/37/99/347993799.db2.gz NSNIMQDGZVKEDD-KRWDZBQOSA-N 0 1 284.403 2.571 20 30 CFEDMN COc1ccc(C#N)cc1Cn1c(C)nc2c1CCCC2 ZINC000160709701 348019978 /nfs/dbraw/zinc/01/99/78/348019978.db2.gz DKJXKNTUULRVDQ-UHFFFAOYSA-N 0 1 281.359 2.999 20 30 CFEDMN Cc1cc(C#N)ccc1CN1C[C@@H](C)OC(C)(C)C1 ZINC000165469505 348040386 /nfs/dbraw/zinc/04/03/86/348040386.db2.gz ANNIDAURDGESIG-CYBMUJFWSA-N 0 1 258.365 2.866 20 30 CFEDMN Cc1cc(C#N)ccc1CN1CCO[C@@H]2CCC[C@@H]21 ZINC000165468364 348040399 /nfs/dbraw/zinc/04/03/99/348040399.db2.gz SHKHAQKQLWTHKI-JKSUJKDBSA-N 0 1 256.349 2.620 20 30 CFEDMN Cc1ccnc(N[C@H](C)c2n[nH]c(C(C)C)n2)c1C#N ZINC000273331847 192115857 /nfs/dbraw/zinc/11/58/57/192115857.db2.gz MFZHYRHLDANRDL-SNVBAGLBSA-N 0 1 270.340 2.676 20 30 CFEDMN C=CCOCCNCc1ccc([N+](=O)[O-])cc1Cl ZINC000305557176 348381413 /nfs/dbraw/zinc/38/14/13/348381413.db2.gz AFLVHFBUUHKBIP-UHFFFAOYSA-N 0 1 270.716 2.540 20 30 CFEDMN CN(Cc1ccc(Br)cc1C#N)C(C)(C)CO ZINC000310354788 348409126 /nfs/dbraw/zinc/40/91/26/348409126.db2.gz HYWZQODQDUKJHK-UHFFFAOYSA-N 0 1 297.196 2.523 20 30 CFEDMN CN(C)[C@H](CNc1ncc(C#N)cc1F)c1ccsc1 ZINC000413048665 233011289 /nfs/dbraw/zinc/01/12/89/233011289.db2.gz SRAGEQVYSYVDFA-CYBMUJFWSA-N 0 1 290.367 2.869 20 30 CFEDMN CC[C@@H]1CN(Cc2ccc(CC#N)cc2)[C@@H](C)CO1 ZINC000403843643 348587214 /nfs/dbraw/zinc/58/72/14/348587214.db2.gz QBVJCFUAJKFXPW-XJKSGUPXSA-N 0 1 258.365 2.752 20 30 CFEDMN COc1ccc(C#N)cc1CN1CCC[C@H](OC(C)C)C1 ZINC000404704399 348594030 /nfs/dbraw/zinc/59/40/30/348594030.db2.gz ORWIDCZUTYADDQ-INIZCTEOSA-N 0 1 288.391 2.956 20 30 CFEDMN COc1cc(CN2CCC[C@@H](OC(C)C)C2)ccc1C#N ZINC000404701361 348594175 /nfs/dbraw/zinc/59/41/75/348594175.db2.gz NLIHLPLMFHOKSR-MRXNPFEDSA-N 0 1 288.391 2.956 20 30 CFEDMN C[C@@H](CC#N)N(C)C(=O)c1cccc(Br)c1O ZINC000531560895 348649303 /nfs/dbraw/zinc/64/93/03/348649303.db2.gz WGRQPIGGWIWVDC-QMMMGPOBSA-N 0 1 297.152 2.529 20 30 CFEDMN C=CC[N@H+](CCc1ccccc1)CC1(CC(=O)[O-])CC1 ZINC000564464235 348660875 /nfs/dbraw/zinc/66/08/75/348660875.db2.gz VYLXPQCFDYDSPQ-UHFFFAOYSA-N 0 1 273.376 2.972 20 30 CFEDMN C=CCC1(C(=O)N[C@@H](C)c2n[nH]c(CC)n2)CCCC1 ZINC000450297153 348620583 /nfs/dbraw/zinc/62/05/83/348620583.db2.gz IAXZQWDSXSYSDJ-NSHDSACASA-N 0 1 276.384 2.681 20 30 CFEDMN CC#CCN[C@@H](CCO)c1cccc(C(F)(F)F)c1 ZINC000451311079 348621479 /nfs/dbraw/zinc/62/14/79/348621479.db2.gz RYPRSKUWLJDNOO-ZDUSSCGKSA-N 0 1 271.282 2.742 20 30 CFEDMN N#CCCC1CCN([C@H]2CCN(c3ccccc3)C2=O)CC1 ZINC000584837933 348720750 /nfs/dbraw/zinc/72/07/50/348720750.db2.gz MMKZITZGEHSBRW-KRWDZBQOSA-N 0 1 297.402 2.808 20 30 CFEDMN Cc1cc(C#N)ccc1CN1CC=C(c2ccnn2C)CC1 ZINC000586774306 348750318 /nfs/dbraw/zinc/75/03/18/348750318.db2.gz SCAKXEBMHUANII-UHFFFAOYSA-N 0 1 292.386 2.890 20 30 CFEDMN COC(=O)c1cccc(CN2CCC[C@H](C3CC3)C2)c1C#N ZINC000588978387 348807171 /nfs/dbraw/zinc/80/71/71/348807171.db2.gz YJTWRBMCMZXTJB-AWEZNQCLSA-N 0 1 298.386 2.967 20 30 CFEDMN Cc1nc2ccc(NC(=O)c3cc(O)cc(C#N)c3)cc2[nH]1 ZINC000589164511 348814320 /nfs/dbraw/zinc/81/43/20/348814320.db2.gz PHYPHVUOCOZSIT-UHFFFAOYSA-N 0 1 292.298 2.701 20 30 CFEDMN C=C(C)CN1CCN(Cc2cc(C)ccc2OC)CC1 ZINC000589424568 348831843 /nfs/dbraw/zinc/83/18/43/348831843.db2.gz FRNGVWCQSPGTJQ-UHFFFAOYSA-N 0 1 274.408 2.697 20 30 CFEDMN C[C@H]1Cc2cn[nH]c2[C@H](C(=O)Nc2ccc(CC#N)cc2)C1 ZINC000590416538 348899908 /nfs/dbraw/zinc/89/99/08/348899908.db2.gz IXMMJCXTKSEZPZ-XHDPSFHLSA-N 0 1 294.358 2.780 20 30 CFEDMN C[C@@H]1Cc2cn[nH]c2[C@@H](C(=O)Nc2ccc(CC#N)cc2)C1 ZINC000590416535 348900051 /nfs/dbraw/zinc/90/00/51/348900051.db2.gz IXMMJCXTKSEZPZ-ABAIWWIYSA-N 0 1 294.358 2.780 20 30 CFEDMN CC[C@H]1CN(C)CCN1C(=O)C[C@H](CC#N)c1ccccc1 ZINC000590522891 348907266 /nfs/dbraw/zinc/90/72/66/348907266.db2.gz DUTXBICDLJTQSN-IRXDYDNUSA-N 0 1 299.418 2.627 20 30 CFEDMN CC1CC[NH+](CCCN=c2[n-]c(C#N)c(Cl)s2)CC1 ZINC000590571744 348909948 /nfs/dbraw/zinc/90/99/48/348909948.db2.gz IHUSYOIOGJHTRJ-UHFFFAOYSA-N 0 1 298.843 2.624 20 30 CFEDMN CC(C)(C#N)CNC[C@H](O)COc1ccc2ccccc2c1 ZINC000591758934 349041971 /nfs/dbraw/zinc/04/19/71/349041971.db2.gz BRUMRESAJARVCI-INIZCTEOSA-N 0 1 298.386 2.719 20 30 CFEDMN N#C[C@H]1CC[C@H](NCc2cccc3c2OC(F)(F)O3)C1 ZINC000591260679 349004147 /nfs/dbraw/zinc/00/41/47/349004147.db2.gz BVRKESVAQBFNKW-ONGXEEELSA-N 0 1 280.274 2.790 20 30 CFEDMN COCCN(Cc1ccncc1C#N)[C@@H]1CC[C@H](C)C1 ZINC000592115265 349085239 /nfs/dbraw/zinc/08/52/39/349085239.db2.gz XGTUDDRZERVGQE-XJKSGUPXSA-N 0 1 273.380 2.590 20 30 CFEDMN CCC[C@@]1(COC)CCCN1Cc1ccncc1C#N ZINC000592116345 349085518 /nfs/dbraw/zinc/08/55/18/349085518.db2.gz JTXVQHWQCMYFOR-INIZCTEOSA-N 0 1 273.380 2.734 20 30 CFEDMN CN(Cc1ccncc1C#N)C1CCC(F)(F)CC1 ZINC000592123473 349086580 /nfs/dbraw/zinc/08/65/80/349086580.db2.gz VGOIOESCXPIHBJ-UHFFFAOYSA-N 0 1 265.307 2.963 20 30 CFEDMN C[C@@H](c1ccc(OC(F)F)cc1)N1CC[C@](O)(CC#N)C1 ZINC000592148254 349091192 /nfs/dbraw/zinc/09/11/92/349091192.db2.gz XAIRWFOZHWJAPK-XHDPSFHLSA-N 0 1 296.317 2.699 20 30 CFEDMN CC(C)Cn1nccc1CNCc1ccc(CC#N)cc1 ZINC000592370500 349110551 /nfs/dbraw/zinc/11/05/51/349110551.db2.gz DLNWGWYXQOSDCV-UHFFFAOYSA-N 0 1 282.391 2.895 20 30 CFEDMN N#C[C@@H]1CC[C@H](N[C@H](CCO)c2ccccc2F)C1 ZINC000592404004 349117548 /nfs/dbraw/zinc/11/75/48/349117548.db2.gz UGCZTNZGUZHWOI-TYNCELHUSA-N 0 1 262.328 2.531 20 30 CFEDMN COc1cc(C#N)ccc1CN1CC[C@]2(CC2(F)F)C1 ZINC000593119406 349215528 /nfs/dbraw/zinc/21/55/28/349215528.db2.gz XYSAHBICQKGBLX-AWEZNQCLSA-N 0 1 278.302 2.798 20 30 CFEDMN CC[C@H](C(=O)[O-])[N@@H+](C)Cc1cccc(OCCCC#N)c1 ZINC000593331348 349249207 /nfs/dbraw/zinc/24/92/07/349249207.db2.gz DASJCGIIBZTDQG-OAHLLOKOSA-N 0 1 290.363 2.664 20 30 CFEDMN CN1CCC(C#N)(NC(=O)CCC2CCCCCC2)CC1 ZINC000593998102 349349229 /nfs/dbraw/zinc/34/92/29/349349229.db2.gz TUDCTISENGVCCN-UHFFFAOYSA-N 0 1 291.439 2.841 20 30 CFEDMN CC(C)(C#N)CNC(=O)c1cccc(C(F)(F)F)c1O ZINC000594341499 349409085 /nfs/dbraw/zinc/40/90/85/349409085.db2.gz OHLGKQXHSKPEGK-UHFFFAOYSA-N 0 1 286.253 2.691 20 30 CFEDMN CN(C)[C@@H](CNC(=O)CCCCC#N)c1cccs1 ZINC000594213224 349395224 /nfs/dbraw/zinc/39/52/24/349395224.db2.gz RLOKOQDVBNNMBM-LBPRGKRZSA-N 0 1 279.409 2.551 20 30 CFEDMN CC1(C)CCN(CC(=O)N[C@@H](CCC#N)c2ccccc2)C1 ZINC000594328571 349407311 /nfs/dbraw/zinc/40/73/11/349407311.db2.gz QXUIGTLKCQFDRN-INIZCTEOSA-N 0 1 299.418 2.880 20 30 CFEDMN C[C@@H]1[C@H](C)[N@@H+](Cc2ccc(C3(C#N)CC3)cc2)CCN1C ZINC000597086859 350027784 /nfs/dbraw/zinc/02/77/84/350027784.db2.gz BXTIPKFGEHUEES-CABCVRRESA-N 0 1 283.419 2.766 20 30 CFEDMN CC(C)c1cc(C(=O)N2Cc3ccc(C#N)cc3C2)n[nH]1 ZINC000594406854 349415519 /nfs/dbraw/zinc/41/55/19/349415519.db2.gz NSPBBOZCMIJSEO-UHFFFAOYSA-N 0 1 280.331 2.561 20 30 CFEDMN CC(C)[C@H]1CN(C)CCN1C(=O)CC1(C#N)CCCCC1 ZINC000597280391 350078535 /nfs/dbraw/zinc/07/85/35/350078535.db2.gz BUSJYCJMJTWWTH-OAHLLOKOSA-N 0 1 291.439 2.649 20 30 CFEDMN CC(C)c1cccc(C(=O)NC2(C#N)CCN(C)CC2)c1 ZINC000597165674 350043418 /nfs/dbraw/zinc/04/34/18/350043418.db2.gz LIFQHCKTLYXUIZ-UHFFFAOYSA-N 0 1 285.391 2.528 20 30 CFEDMN COC(=O)c1ccc(CN[C@@H]2CCC[C@@H](C#N)C2)c(F)c1 ZINC000597223631 350061769 /nfs/dbraw/zinc/06/17/69/350061769.db2.gz ZJCWWQQGMUPTHK-BXUZGUMPSA-N 0 1 290.338 2.784 20 30 CFEDMN COC(=O)c1ccc(CN[C@H]2CCC[C@@H](C#N)C2)c(F)c1 ZINC000597223635 350061965 /nfs/dbraw/zinc/06/19/65/350061965.db2.gz ZJCWWQQGMUPTHK-RISCZKNCSA-N 0 1 290.338 2.784 20 30 CFEDMN C[C@]1(C#N)CCN(C[C@@H]2CCOc3ccccc32)C1 ZINC000597232907 350066450 /nfs/dbraw/zinc/06/64/50/350066450.db2.gz YDJGHOBFHNVKKN-XJKSGUPXSA-N 0 1 256.349 2.788 20 30 CFEDMN CN(Cc1cc(C#N)cs1)CC1=CCSC1 ZINC000597245748 350071419 /nfs/dbraw/zinc/07/14/19/350071419.db2.gz PAMXEVKGIUJWSS-UHFFFAOYSA-N 0 1 250.392 2.725 20 30 CFEDMN C[C@@H](CC#N)C(=O)NC[C@H](c1ccc(Cl)cc1)N(C)C ZINC000597333386 350084860 /nfs/dbraw/zinc/08/48/60/350084860.db2.gz LLRJZJACIXYTJG-SMDDNHRTSA-N 0 1 293.798 2.609 20 30 CFEDMN C=CCN(CCOc1ccccc1C(C)=O)C1CC1 ZINC000271343333 191084987 /nfs/dbraw/zinc/08/49/87/191084987.db2.gz CISCAQRPVCIPMQ-UHFFFAOYSA-N 0 1 259.349 2.918 20 30 CFEDMN CC(C)(C#N)C[C@H](O)CN1CC(C)(C)[C@@H]1c1cccnc1 ZINC000598629186 350297689 /nfs/dbraw/zinc/29/76/89/350297689.db2.gz YZCKCHMBDWMIFQ-GJZGRUSLSA-N 0 1 287.407 2.765 20 30 CFEDMN CCCC[C@@H](C(=O)NC1(C#N)CCN(C)CC1)C(C)C ZINC000598658808 350304883 /nfs/dbraw/zinc/30/48/83/350304883.db2.gz MOJCIGOUOMZTJF-CQSZACIVSA-N 0 1 279.428 2.553 20 30 CFEDMN CC(C)(C#N)C[C@H](O)CNc1ccc2cnccc2c1 ZINC000598729251 350321275 /nfs/dbraw/zinc/32/12/75/350321275.db2.gz HSKVIDPTQALMHF-HNNXBMFYSA-N 0 1 269.348 2.947 20 30 CFEDMN CC(C)(C)CN(CCC#N)C[C@@H](O)CC(C)(C)C#N ZINC000598592540 350287971 /nfs/dbraw/zinc/28/79/71/350287971.db2.gz LVMXPXVGDKIWJZ-ZDUSSCGKSA-N 0 1 265.401 2.549 20 30 CFEDMN CCC(CC)CN(CCC#N)C[C@H](O)CC(C)(C)C#N ZINC000598591365 350288240 /nfs/dbraw/zinc/28/82/40/350288240.db2.gz AGRWJFSHSVJQSY-OAHLLOKOSA-N 0 1 279.428 2.939 20 30 CFEDMN Cc1nc([C@@H]2CCCN2C[C@@H](O)CC(C)(C)C#N)cs1 ZINC000598607169 350292568 /nfs/dbraw/zinc/29/25/68/350292568.db2.gz ITEBRMOWTZUUGK-JSGCOSHPSA-N 0 1 293.436 2.889 20 30 CFEDMN Cc1c(C#N)cccc1NC(=O)[C@H]1C[C@H](C)Cc2cn[nH]c21 ZINC000598942995 350347496 /nfs/dbraw/zinc/34/74/96/350347496.db2.gz RFLAKWQFWKDRKB-YGRLFVJLSA-N 0 1 294.358 2.894 20 30 CFEDMN N#CCN1CCC(NCc2c(F)ccc(F)c2Cl)CC1 ZINC000598961626 350349630 /nfs/dbraw/zinc/34/96/30/350349630.db2.gz VSDYMNGSWMLHKK-UHFFFAOYSA-N 0 1 299.752 2.696 20 30 CFEDMN COCC#CCN1C[C@H](C)C[C@H]1c1ccccc1F ZINC000677820102 539795139 /nfs/dbraw/zinc/79/51/39/539795139.db2.gz GIBKCJYWSOBLJS-CJNGLKHVSA-N 0 1 261.340 2.858 20 30 CFEDMN CCOC(=O)[C@H]1CCCN(Cc2ccc(C)c(C#N)c2)C1 ZINC000599253782 350400746 /nfs/dbraw/zinc/40/07/46/350400746.db2.gz QXXJOKDEBFPYHK-HNNXBMFYSA-N 0 1 286.375 2.642 20 30 CFEDMN Cc1ccc(CN[C@@](C)(CO)c2cccc(O)c2)cc1C#N ZINC000599422787 350433514 /nfs/dbraw/zinc/43/35/14/350433514.db2.gz XOOMNAMHABZELL-SFHVURJKSA-N 0 1 296.370 2.570 20 30 CFEDMN CC(C)(C)OC(=O)[C@@]1(C)CCCN1CCCCC#N ZINC000599494795 350445973 /nfs/dbraw/zinc/44/59/73/350445973.db2.gz KLQMNLDWFPYRAS-OAHLLOKOSA-N 0 1 266.385 2.876 20 30 CFEDMN C=CC[C@H]1CCN(Cc2nc3cc(C(=O)OC)ccc3[nH]2)C1 ZINC000599529311 350451602 /nfs/dbraw/zinc/45/16/02/350451602.db2.gz MAYMIJRJQUPYRL-LBPRGKRZSA-N 0 1 299.374 2.748 20 30 CFEDMN CC(C)[C@](C)(C#N)NC(=O)CN1CC(C)(C)CCC1(C)C ZINC000599538772 350453217 /nfs/dbraw/zinc/45/32/17/350453217.db2.gz RXFGCDBNILZEDA-KRWDZBQOSA-N 0 1 293.455 2.941 20 30 CFEDMN CCC#C[C@@H](C)N1Cc2ccccc2[C@@H](C(=O)OC)C1 ZINC000599676055 350478327 /nfs/dbraw/zinc/47/83/27/350478327.db2.gz HLJVIZZSWARKLT-CJNGLKHVSA-N 0 1 271.360 2.561 20 30 CFEDMN COC(=O)C1C[C@@H](C)N(CC#Cc2ccccc2)[C@H](C)C1 ZINC000599695267 350485002 /nfs/dbraw/zinc/48/50/02/350485002.db2.gz KSZAORJWOAYXMB-HUUCEWRRSA-N 0 1 285.387 2.700 20 30 CFEDMN N#Cc1ccc(CN[C@H]2CCCc3cc(N)ccc32)o1 ZINC000600769521 350607784 /nfs/dbraw/zinc/60/77/84/350607784.db2.gz NXBSIXJUJKFWAN-INIZCTEOSA-N 0 1 267.332 2.901 20 30 CFEDMN CCN1CCN(c2ncc(C#N)c3ccsc32)C[C@@H]1C ZINC000601135196 350678020 /nfs/dbraw/zinc/67/80/20/350678020.db2.gz RVOKZVKTQHOVHH-NSHDSACASA-N 0 1 286.404 2.698 20 30 CFEDMN Cc1cc(C#N)cc(N[C@H](C)c2n[nH]c(C(C)C)n2)n1 ZINC000601136817 350679237 /nfs/dbraw/zinc/67/92/37/350679237.db2.gz YBIVLECAANECRG-SNVBAGLBSA-N 0 1 270.340 2.676 20 30 CFEDMN Cc1nc2c(cccc2C(=O)N(C)[C@@H]2CCC[C@H]2C#N)[nH]1 ZINC000601817313 350784455 /nfs/dbraw/zinc/78/44/55/350784455.db2.gz MJOZAUKFDKFHLV-SMDDNHRTSA-N 0 1 282.347 2.636 20 30 CFEDMN C=CCN(CC1CCCCC1)C(=O)N[C@H]1CCCN(C)C1 ZINC000601893547 350799042 /nfs/dbraw/zinc/79/90/42/350799042.db2.gz FSMMYIRPSMJVNO-INIZCTEOSA-N 0 1 293.455 2.859 20 30 CFEDMN C[C@@H]1CCC2=NN(c3ccc(C#N)cc3)C(=O)[C@H]2C1 ZINC000601932928 350805806 /nfs/dbraw/zinc/80/58/06/350805806.db2.gz VBPBUPRIBRKFCF-MFKMUULPSA-N 0 1 253.305 2.697 20 30 CFEDMN C[C@@H]1CCc2[nH]n(-c3ccc(C#N)cc3)c(=O)c2C1 ZINC000601932928 350805810 /nfs/dbraw/zinc/80/58/10/350805810.db2.gz VBPBUPRIBRKFCF-MFKMUULPSA-N 0 1 253.305 2.697 20 30 CFEDMN Cc1[nH]n(Cc2ccccc2Cl)c(=O)c1CCC#N ZINC000601940909 350811490 /nfs/dbraw/zinc/81/14/90/350811490.db2.gz SUWRBRLVNNTSPZ-GFCCVEGCSA-N 0 1 275.739 2.978 20 30 CFEDMN N#CCC[C@@H](C#N)CNCc1cccc2[nH]ccc21 ZINC000601943131 350811939 /nfs/dbraw/zinc/81/19/39/350811939.db2.gz WPHQCUSSQMOJLL-LBPRGKRZSA-N 0 1 252.321 2.701 20 30 CFEDMN C[C@@H](NCc1cccc(F)c1C#N)[C@H]1CCCCO1 ZINC000602015767 350832309 /nfs/dbraw/zinc/83/23/09/350832309.db2.gz PBCQUZPXKPLCFP-IAQYHMDHSA-N 0 1 262.328 2.745 20 30 CFEDMN C[C@@H]1C[C@H](NCc2cccc(F)c2C#N)CS1 ZINC000602019436 350832892 /nfs/dbraw/zinc/83/28/92/350832892.db2.gz HFQRMNLFOOBJAO-KOLCDFICSA-N 0 1 250.342 2.681 20 30 CFEDMN C[C@H]1CCC[C@H](CNCc2cccc(F)c2C#N)O1 ZINC000602027987 350835135 /nfs/dbraw/zinc/83/51/35/350835135.db2.gz KYMPDNQOFWJGBV-WCQYABFASA-N 0 1 262.328 2.745 20 30 CFEDMN CO[C@H](CNCc1cccc(F)c1C#N)C1CCCC1 ZINC000602029909 350835955 /nfs/dbraw/zinc/83/59/55/350835955.db2.gz ZKIMNIDUGZYUOR-MRXNPFEDSA-N 0 1 276.355 2.992 20 30 CFEDMN CCC(CC)[C@H](O)CNCc1cccc(F)c1C#N ZINC000602004389 350828342 /nfs/dbraw/zinc/82/83/42/350828342.db2.gz FNAILXYHGZLPFM-OAHLLOKOSA-N 0 1 264.344 2.584 20 30 CFEDMN CCCC[C@H](COC)NCc1cccc(F)c1C#N ZINC000602007327 350828820 /nfs/dbraw/zinc/82/88/20/350828820.db2.gz NRRRAZLRUIJUOS-CYBMUJFWSA-N 0 1 264.344 2.992 20 30 CFEDMN C[C@@H]1Cc2ccccc2[C@H]1NCc1cccc(C#N)n1 ZINC000602539803 350917792 /nfs/dbraw/zinc/91/77/92/350917792.db2.gz KZVDMQLEZHDNFQ-PXAZEXFGSA-N 0 1 263.344 2.976 20 30 CFEDMN C[C@H]1Cc2ccccc2[C@@H]1NCc1cccc(C#N)n1 ZINC000602539809 350917805 /nfs/dbraw/zinc/91/78/05/350917805.db2.gz KZVDMQLEZHDNFQ-YVEFUNNKSA-N 0 1 263.344 2.976 20 30 CFEDMN C[C@@H](CCC#N)CNc1cnccc1-n1cccn1 ZINC000602582027 350933710 /nfs/dbraw/zinc/93/37/10/350933710.db2.gz MKDLESLXZQPTLO-LBPRGKRZSA-N 0 1 255.325 2.619 20 30 CFEDMN N#Cc1cccc(CN[C@H](c2ccccc2)[C@H]2CCOC2)n1 ZINC000602580988 350933877 /nfs/dbraw/zinc/93/38/77/350933877.db2.gz GIRRMZRGRQNZIQ-MAUKXSAKSA-N 0 1 293.370 2.821 20 30 CFEDMN CCN(Cc1ccc(OC)cc1)Cc1cccc(C#N)n1 ZINC000602439148 350882761 /nfs/dbraw/zinc/88/27/61/350882761.db2.gz IAIUMAMWOUWTIR-UHFFFAOYSA-N 0 1 281.359 2.984 20 30 CFEDMN C[C@H](CCC#N)C[N@H+]1CCCN(C(=O)c2ccccc2)CC1 ZINC000602444495 350885800 /nfs/dbraw/zinc/88/58/00/350885800.db2.gz OGDQLQWJMGBVPD-MRXNPFEDSA-N 0 1 299.418 2.774 20 30 CFEDMN COCC[N@@H+](CCC[C@H]1CCO1)Cc1ccc(C#N)cc1 ZINC000602445921 350886417 /nfs/dbraw/zinc/88/64/17/350886417.db2.gz YRWSJWNRVRSTNW-KRWDZBQOSA-N 0 1 288.391 2.576 20 30 CFEDMN C[C@H](CCC#N)C[N@H+]1CCC[C@H](OCC(F)(F)F)C1 ZINC000602446238 350886453 /nfs/dbraw/zinc/88/64/53/350886453.db2.gz ZMZIFCDWCJKRTB-NEPJUHHUSA-N 0 1 278.318 2.970 20 30 CFEDMN C[C@@H](CCC#N)CN1CCC[C@@H]1C(=O)OC(C)(C)C ZINC000602475734 350897490 /nfs/dbraw/zinc/89/74/90/350897490.db2.gz JUHTWOOOICRNMO-QWHCGFSZSA-N 0 1 266.385 2.732 20 30 CFEDMN C[C@H](CCC#N)CN[C@H](C)c1nc(C(C)(C)C)no1 ZINC000602641448 350957964 /nfs/dbraw/zinc/95/79/64/350957964.db2.gz FGPYCDHXLKLXNA-GHMZBOCLSA-N 0 1 264.373 2.958 20 30 CFEDMN N#Cc1ccc2c(c1)CC[C@@H]2NCc1ccns1 ZINC000602641574 350958457 /nfs/dbraw/zinc/95/84/57/350958457.db2.gz SZCLQSRXRZPFIV-AWEZNQCLSA-N 0 1 255.346 2.792 20 30 CFEDMN CSC[C@@H]1CCCN(Cc2cccc(C#N)n2)C1 ZINC000602670560 350969396 /nfs/dbraw/zinc/96/93/96/350969396.db2.gz PNCUGDLMSORSEA-GFCCVEGCSA-N 0 1 261.394 2.528 20 30 CFEDMN CCc1noc(C)c1CN[C@H](C)CC1(C#N)CCOCC1 ZINC000602673016 350971479 /nfs/dbraw/zinc/97/14/79/350971479.db2.gz BBWOCEFYYHAVBD-GFCCVEGCSA-N 0 1 291.395 2.734 20 30 CFEDMN COC(=O)c1cnc([C@@H](C)NC[C@H](C)CCC#N)s1 ZINC000602692830 350981757 /nfs/dbraw/zinc/98/17/57/350981757.db2.gz BYSKZSUUSBHPBX-NXEZZACHSA-N 0 1 281.381 2.520 20 30 CFEDMN COC(=O)c1cccc2c1CN(C[C@@H](C)CCC#N)CC2 ZINC000602699656 350985734 /nfs/dbraw/zinc/98/57/34/350985734.db2.gz ZBZLENIDPSRQKF-ZDUSSCGKSA-N 0 1 286.375 2.771 20 30 CFEDMN COc1cncc(CN2CCC[C@H](CC#N)C2)c1C ZINC000602708592 350992093 /nfs/dbraw/zinc/99/20/93/350992093.db2.gz QILSWURZHZRVTD-CYBMUJFWSA-N 0 1 259.353 2.524 20 30 CFEDMN C[C@]1(C#N)CCN(C[C@H]2CCN(c3ccccc3)C2)C1 ZINC000602719171 350998973 /nfs/dbraw/zinc/99/89/73/350998973.db2.gz UPAQNRAYUIZIHT-NVXWUHKLSA-N 0 1 269.392 2.748 20 30 CFEDMN C[C@H](C#N)CN[C@H]1C[C@H](OC(C)(C)C)C12CCC2 ZINC000602608906 350944145 /nfs/dbraw/zinc/94/41/45/350944145.db2.gz ZCBMMBGYPNZCHS-AGIUHOORSA-N 0 1 250.386 2.862 20 30 CFEDMN CCC[N@H+](Cc1ccc(C#N)cc1)C[C@H]1CCc2ncnn21 ZINC000602764839 351017283 /nfs/dbraw/zinc/01/72/83/351017283.db2.gz ZOSMBRKRQTYEJX-MRXNPFEDSA-N 0 1 295.390 2.549 20 30 CFEDMN C[C@@](O)(C1CCN(CC2(CC#N)CC2)CC1)C(F)(F)F ZINC000602810731 351034792 /nfs/dbraw/zinc/03/47/92/351034792.db2.gz IDCZDGXNLVKPRR-GFCCVEGCSA-N 0 1 290.329 2.706 20 30 CFEDMN CC1(C)CO[C@H](CN2CCC(C#N)(c3ccccn3)CC2)C1 ZINC000602821808 351038103 /nfs/dbraw/zinc/03/81/03/351038103.db2.gz AETWUKOKJFEOHI-HNNXBMFYSA-N 0 1 299.418 2.754 20 30 CFEDMN COC1(C(F)(F)F)CCN(CC2(CC#N)CC2)CC1 ZINC000602844627 351043245 /nfs/dbraw/zinc/04/32/45/351043245.db2.gz DEYXPIFZKLLUOR-UHFFFAOYSA-N 0 1 276.302 2.724 20 30 CFEDMN COc1cccc([C@@H](C)N2C[C@@H](C)N(CC#N)[C@@H](C)C2)c1 ZINC000602852615 351045300 /nfs/dbraw/zinc/04/53/00/351045300.db2.gz DJEVHMQSSGUZCX-QLFBSQMISA-N 0 1 287.407 2.674 20 30 CFEDMN C[C@H](c1cccc(C#N)c1)N1C[C@@H](C)N(CC#N)[C@H](C)C1 ZINC000602853822 351046136 /nfs/dbraw/zinc/04/61/36/351046136.db2.gz MCCDBLBIZPUGDQ-RBSFLKMASA-N 0 1 282.391 2.537 20 30 CFEDMN C[C@H]1CN(CCSc2ccccc2)C[C@H](C)N1CC#N ZINC000602857089 351046980 /nfs/dbraw/zinc/04/69/80/351046980.db2.gz OWILTONAJFLRTB-GJZGRUSLSA-N 0 1 289.448 2.697 20 30 CFEDMN C[C@@H]1CN(C/C=C\c2ccccc2)C[C@H](C)N1CC#N ZINC000602857816 351047475 /nfs/dbraw/zinc/04/74/75/351047475.db2.gz VJSJATPBSZNARA-AFGDSCLASA-N 0 1 269.392 2.618 20 30 CFEDMN C[C@@H](CC#N)NCCCc1nc(-c2cccs2)no1 ZINC000602860438 351048241 /nfs/dbraw/zinc/04/82/41/351048241.db2.gz BTBFTZDQUAVESA-JTQLQIEISA-N 0 1 276.365 2.622 20 30 CFEDMN C[C@H](c1cccc(F)c1)N1C[C@@H](C)N(CC#N)[C@@H](C)C1 ZINC000602859827 351048287 /nfs/dbraw/zinc/04/82/87/351048287.db2.gz ZPGBJMQUONMPFZ-HZSPNIEDSA-N 0 1 275.371 2.805 20 30 CFEDMN C[C@H](CC#N)NCCc1cc(Cl)c2c(c1)OCCCO2 ZINC000602871172 351053672 /nfs/dbraw/zinc/05/36/72/351053672.db2.gz YSJDVRUWFUTNHV-LLVKDONJSA-N 0 1 294.782 2.936 20 30 CFEDMN N#CCCC[N@H+]1CC[C@H](c2ccc3cccnc3n2)C1 ZINC000602880724 351056162 /nfs/dbraw/zinc/05/61/62/351056162.db2.gz BZVCVLLPMKLYSS-AWEZNQCLSA-N 0 1 266.348 2.723 20 30 CFEDMN C[C@H]1C[N@@H+](CC2(CC#N)CC2)CC[C@@H]1C(=O)OC(C)(C)C ZINC000602916227 351063840 /nfs/dbraw/zinc/06/38/40/351063840.db2.gz MAPJMTSQTQDBSM-KBPBESRZSA-N 0 1 292.423 2.980 20 30 CFEDMN C[C@@H]1Cc2cn[nH]c2[C@@H](C(=O)Nc2cc(F)cc(C#N)c2)C1 ZINC000603169087 351114208 /nfs/dbraw/zinc/11/42/08/351114208.db2.gz KSWARTHAOHSNHQ-OTYXRUKQSA-N 0 1 298.321 2.725 20 30 CFEDMN CN(CCC(=O)NCC1CCCCC1)[C@@H]1CCC[C@H]1C#N ZINC000602976263 351077063 /nfs/dbraw/zinc/07/70/63/351077063.db2.gz NIYDHBITZOIYDG-JKSUJKDBSA-N 0 1 291.439 2.697 20 30 CFEDMN CN(CCC(=O)Nc1ccc(F)cc1)[C@@H]1CCC[C@H]1C#N ZINC000602976762 351077606 /nfs/dbraw/zinc/07/76/06/351077606.db2.gz SINMFFUNIADYIQ-SWLSCSKDSA-N 0 1 289.354 2.778 20 30 CFEDMN CN(CCC(=O)Nc1ccc(F)cc1)[C@H]1CCC[C@H]1C#N ZINC000602976763 351078144 /nfs/dbraw/zinc/07/81/44/351078144.db2.gz SINMFFUNIADYIQ-WFASDCNBSA-N 0 1 289.354 2.778 20 30 CFEDMN CN(CCC(=O)Nc1ccccc1C#N)[C@@H]1CCC[C@@H]1C#N ZINC000602980293 351081247 /nfs/dbraw/zinc/08/12/47/351081247.db2.gz OGVVYGQVVPXHRM-GDBMZVCRSA-N 0 1 296.374 2.511 20 30 CFEDMN CN(CCCC(=O)OC(C)(C)C)[C@@H]1CCC[C@@H]1C#N ZINC000602980242 351081277 /nfs/dbraw/zinc/08/12/77/351081277.db2.gz NRHJWZJYASVYRG-CHWSQXEVSA-N 0 1 266.385 2.732 20 30 CFEDMN CO[C@H](Cc1ccccc1)CN(C)[C@@H]1CCC[C@H]1C#N ZINC000602981665 351083520 /nfs/dbraw/zinc/08/35/20/351083520.db2.gz HRTZFSGAGBQUPV-GVDBMIGSSA-N 0 1 272.392 2.868 20 30 CFEDMN CCc1cc(CCCN(C)[C@@H]2CCC[C@@H]2C#N)on1 ZINC000602982674 351084481 /nfs/dbraw/zinc/08/44/81/351084481.db2.gz WNJXLGJSEMOJCD-IUODEOHRSA-N 0 1 261.369 2.794 20 30 CFEDMN COc1cc(C#N)ccc1CN1CCC(C)(F)CC1 ZINC000602992839 351086880 /nfs/dbraw/zinc/08/68/80/351086880.db2.gz HQNVFLVYAPFWSB-UHFFFAOYSA-N 0 1 262.328 2.891 20 30 CFEDMN Cc1cc(C#N)ccc1CN[C@H]1CCCn2nccc21 ZINC000603030994 351092523 /nfs/dbraw/zinc/09/25/23/351092523.db2.gz ZINVTJRVPLZMMK-HNNXBMFYSA-N 0 1 266.348 2.688 20 30 CFEDMN N#Cc1c(CN2C3CCC2CC3)cn2ccccc12 ZINC000603580946 351175198 /nfs/dbraw/zinc/17/51/98/351175198.db2.gz OJKGJXWJYOFECX-UHFFFAOYSA-N 0 1 251.333 2.938 20 30 CFEDMN Cc1[nH]n(Cc2cccc3cccnc32)c(=O)c1CCC#N ZINC000603921007 351191322 /nfs/dbraw/zinc/19/13/22/351191322.db2.gz KJZXFQLVXZCJTK-HNNXBMFYSA-N 0 1 292.342 2.873 20 30 CFEDMN CCCN1C(=O)N=NC1S[C@@H](C#N)Cc1ccccc1 ZINC000604021968 351196642 /nfs/dbraw/zinc/19/66/42/351196642.db2.gz ZDAUWCSXZHNOEI-GFCCVEGCSA-N 0 1 288.376 2.621 20 30 CFEDMN C=CCN(Cc1cccs1)C(=O)NCc1cc(C)[nH]n1 ZINC000606516580 351276754 /nfs/dbraw/zinc/27/67/54/351276754.db2.gz PUAMNBQNVOTFNR-UHFFFAOYSA-N 0 1 290.392 2.677 20 30 CFEDMN CC(C)[C@H](C#N)N1CCN(CCCc2ccccc2)CC1 ZINC000609486711 351503413 /nfs/dbraw/zinc/50/34/13/351503413.db2.gz PRSRWJPXZLHXPM-SFHVURJKSA-N 0 1 285.435 2.785 20 30 CFEDMN N#CCN1CCC(Nc2ccnc3cc(F)ccc32)CC1 ZINC000609595603 351510947 /nfs/dbraw/zinc/51/09/47/351510947.db2.gz SJKCSNVEWAAXPF-UHFFFAOYSA-N 0 1 284.338 2.774 20 30 CFEDMN CC(C)(C)CN(CCO)Cc1cc(F)ccc1C#N ZINC000610728733 351598486 /nfs/dbraw/zinc/59/84/86/351598486.db2.gz UUSYQORALQXICI-UHFFFAOYSA-N 0 1 264.344 2.538 20 30 CFEDMN C=CCN(CC=C)C(=O)[C@@H](C)N[C@H](C)c1cccc(C#N)c1 ZINC000610343859 351557003 /nfs/dbraw/zinc/55/70/03/351557003.db2.gz VBXRVULCMIDBHT-HUUCEWRRSA-N 0 1 297.402 2.798 20 30 CFEDMN CCN1CCCC[C@H]1C(=O)N[C@@H](C)c1cccc(C#N)c1 ZINC000610364369 351559729 /nfs/dbraw/zinc/55/97/29/351559729.db2.gz SJWKVMQWODUMKA-BBRMVZONSA-N 0 1 285.391 2.610 20 30 CFEDMN C[C@H](NC(=O)c1n[nH]c2ccccc21)c1cccc(C#N)c1 ZINC000610361430 351560233 /nfs/dbraw/zinc/56/02/33/351560233.db2.gz DHPQCXJBOZBGSR-NSHDSACASA-N 0 1 290.326 2.926 20 30 CFEDMN COC(=O)c1cccc(CN2CCC[C@@H]2C2CC2)c1C#N ZINC000611127192 351642930 /nfs/dbraw/zinc/64/29/30/351642930.db2.gz KLPJSDIVWTUVFJ-MRXNPFEDSA-N 0 1 284.359 2.719 20 30 CFEDMN C[C@@H]1CN(Cc2ccc(C#N)s2)C[C@@H](C)S1 ZINC000120520227 186905286 /nfs/dbraw/zinc/90/52/86/186905286.db2.gz SVNMZZKXUZNRJV-NXEZZACHSA-N 0 1 252.408 2.946 20 30 CFEDMN COc1ccc(C#N)cc1CN1CC[C@@H](C(F)F)C1 ZINC000611180439 351648683 /nfs/dbraw/zinc/64/86/83/351648683.db2.gz XQJCHNHMTHKOTP-LLVKDONJSA-N 0 1 266.291 2.654 20 30 CFEDMN Cc1n[nH]cc1CN(C)[C@@H](C)c1ccc(C#N)cc1 ZINC000611254334 351658081 /nfs/dbraw/zinc/65/80/81/351658081.db2.gz SMJXXMBMXJVURA-LBPRGKRZSA-N 0 1 254.337 2.783 20 30 CFEDMN C[C@@H](NCC(=O)Nc1ccccc1F)c1cccc(C#N)c1 ZINC000611387178 351677948 /nfs/dbraw/zinc/67/79/48/351677948.db2.gz GKEURTQEDIWOET-GFCCVEGCSA-N 0 1 297.333 2.987 20 30 CFEDMN C[C@@H](NCC(=O)NCCC(C)(C)C)c1cccc(C#N)c1 ZINC000611386019 351678398 /nfs/dbraw/zinc/67/83/98/351678398.db2.gz ANBFDAIINFSBPR-CYBMUJFWSA-N 0 1 287.407 2.761 20 30 CFEDMN Cc1cc(CN[C@@H]2CCCc3cc(C#N)ccc32)[nH]n1 ZINC000611393148 351681561 /nfs/dbraw/zinc/68/15/61/351681561.db2.gz LJCKDPNNHXZOGY-MRXNPFEDSA-N 0 1 266.348 2.757 20 30 CFEDMN Cc1ccc(C#N)nc1NC[C@@H](c1ccco1)N(C)C ZINC000611399146 351683285 /nfs/dbraw/zinc/68/32/85/351683285.db2.gz RFUNMQMRAKTKGS-ZDUSSCGKSA-N 0 1 270.336 2.570 20 30 CFEDMN COc1cccc(C2(NCc3ccnc(C#N)c3)CC2)c1 ZINC000611401895 351683564 /nfs/dbraw/zinc/68/35/64/351683564.db2.gz MJEDTXMOPUZRSZ-UHFFFAOYSA-N 0 1 279.343 2.741 20 30 CFEDMN CC(C)[C@@H](C#N)N1CCN(CCCc2ccsc2)CC1 ZINC000611930098 351751916 /nfs/dbraw/zinc/75/19/16/351751916.db2.gz UNOKKCWSSWCLGF-MRXNPFEDSA-N 0 1 291.464 2.846 20 30 CFEDMN C[C@]1(C#N)CCCN(C(=O)c2cc(-c3ccccc3)[nH]n2)C1 ZINC000612240431 351790480 /nfs/dbraw/zinc/79/04/80/351790480.db2.gz PVRFCGJWUGBYIG-QGZVFWFLSA-N 0 1 294.358 2.843 20 30 CFEDMN CCc1cnccc1[C@@H](C)NCc1ccnc(C#N)c1 ZINC000611941366 351754479 /nfs/dbraw/zinc/75/44/79/351754479.db2.gz SQXBDSNHGKNRLZ-GFCCVEGCSA-N 0 1 266.348 2.761 20 30 CFEDMN CCN(C)[C@H](C(=O)N1CCC[C@@](C)(C#N)C1)c1ccccc1 ZINC000612367389 351808634 /nfs/dbraw/zinc/80/86/34/351808634.db2.gz OSTDQGPYUPWRCV-WMZOPIPTSA-N 0 1 299.418 2.832 20 30 CFEDMN C[C@@]1(C#N)CCCN(C(=O)c2ccc(O)c(Cl)c2)C1 ZINC000612367232 351808717 /nfs/dbraw/zinc/80/87/17/351808717.db2.gz NHVFCBWDIRXMJE-AWEZNQCLSA-N 0 1 278.739 2.811 20 30 CFEDMN C[C@@]1(C#N)CCCN(C(=O)c2cnc(-c3ccccc3)[nH]2)C1 ZINC000612371427 351810164 /nfs/dbraw/zinc/81/01/64/351810164.db2.gz LXNGFSZDFPGERD-KRWDZBQOSA-N 0 1 294.358 2.843 20 30 CFEDMN C[C@@]1(C#N)CCCN(Cc2ccc3nc[nH]c3c2)C1 ZINC000612406771 351816110 /nfs/dbraw/zinc/81/61/10/351816110.db2.gz SVGZECQIPOWUKE-HNNXBMFYSA-N 0 1 254.337 2.689 20 30 CFEDMN C[C@@H](C(=O)Nc1cccc(C#N)c1)N1CC[C@@H](C)[C@@H](C)C1 ZINC000122499239 187035471 /nfs/dbraw/zinc/03/54/71/187035471.db2.gz GSMUNRVBGGGVCN-RDBSUJKOSA-N 0 1 285.391 2.863 20 30 CFEDMN COc1ccc(NC(=O)C[C@@H](C)NCC(C)(C)C#N)cc1 ZINC000612585458 351839506 /nfs/dbraw/zinc/83/95/06/351839506.db2.gz DXJDAVAROZIOLC-GFCCVEGCSA-N 0 1 289.379 2.552 20 30 CFEDMN C[C@@H](c1ccccc1)N1CC[C@@H]([NH2+]CC(C)(C)C#N)C1 ZINC000612587969 351840602 /nfs/dbraw/zinc/84/06/02/351840602.db2.gz JDHVLUJFQNOWFO-GOEBONIOSA-N 0 1 271.408 2.961 20 30 CFEDMN CN(Cc1cn2ccccc2c1C#N)CC1(O)CCCC1 ZINC000124289017 187130376 /nfs/dbraw/zinc/13/03/76/187130376.db2.gz ICXWXKJKQABXCX-UHFFFAOYSA-N 0 1 283.375 2.548 20 30 CFEDMN N#Cc1ccc2ncc(CNCc3cccc(F)c3)n2c1 ZINC000123232327 187079234 /nfs/dbraw/zinc/07/92/34/187079234.db2.gz XDFMHVGSNXQVIP-UHFFFAOYSA-N 0 1 280.306 2.635 20 30 CFEDMN N#C[C@H](C(=O)c1cc(-c2ccoc2)[nH]n1)c1ccccn1 ZINC000613296719 351934492 /nfs/dbraw/zinc/93/44/92/351934492.db2.gz WJEJSHHQFRPQIF-NSHDSACASA-N 0 1 278.271 2.555 20 30 CFEDMN N#CC(C(=O)c1cc(-c2ccoc2)[nH]n1)c1ccccn1 ZINC000613296719 351934498 /nfs/dbraw/zinc/93/44/98/351934498.db2.gz WJEJSHHQFRPQIF-NSHDSACASA-N 0 1 278.271 2.555 20 30 CFEDMN CC(C)(C)c1ccc(C#N)c(N2CC[C@H](N3CC=CC3)C2)n1 ZINC000613425967 351956645 /nfs/dbraw/zinc/95/66/45/351956645.db2.gz NHQOKWDAJBYOTL-HNNXBMFYSA-N 0 1 296.418 2.701 20 30 CFEDMN CCN1CCN(c2nc(C(C)(C)C)ccc2C#N)C[C@@H]1C ZINC000613427450 351957596 /nfs/dbraw/zinc/95/75/96/351957596.db2.gz DFNQRFFCLOQKMK-ZDUSSCGKSA-N 0 1 286.423 2.781 20 30 CFEDMN C[C@H](C[S@@](C)=O)N(C)Cc1ccc(C(C)(C)C#N)cc1 ZINC000614184074 352057753 /nfs/dbraw/zinc/05/77/53/352057753.db2.gz YUKGTKYXWJQJCD-ZUOKHONESA-N 0 1 292.448 2.687 20 30 CFEDMN C[C@@H](NCc1cncc(F)c1)c1cccc(C#N)c1 ZINC000614578720 352105123 /nfs/dbraw/zinc/10/51/23/352105123.db2.gz XCYNZSYIGPQPAV-LLVKDONJSA-N 0 1 255.296 2.943 20 30 CFEDMN COC(=O)c1cccc(CN2CC[C@@H]3CCC[C@@H]32)c1C#N ZINC000614600766 352106717 /nfs/dbraw/zinc/10/67/17/352106717.db2.gz JIVKRBPPLIQWPU-LRDDRELGSA-N 0 1 284.359 2.719 20 30 CFEDMN Cc1cc(C)c(NC(=O)c2ccc(C#N)c(O)c2)cc1CO ZINC000615894793 352257974 /nfs/dbraw/zinc/25/79/74/352257974.db2.gz WKBBWRGFEKPSTK-UHFFFAOYSA-N 0 1 296.326 2.625 20 30 CFEDMN COC(=O)C(C)(C)[C@@H]1CCCN(CC#Cc2ccccc2)C1 ZINC000616769335 352428085 /nfs/dbraw/zinc/42/80/85/352428085.db2.gz AAPHIXFWFYOVPV-QGZVFWFLSA-N 0 1 299.414 2.949 20 30 CFEDMN Cc1cc(C#N)ccc1CN1CC(C)(C)OC[C@@H]1C ZINC000617079216 352492156 /nfs/dbraw/zinc/49/21/56/352492156.db2.gz FRTQBSPPAFTMCA-ZDUSSCGKSA-N 0 1 258.365 2.866 20 30 CFEDMN C=CC[C@@H]1CCCC[C@H]1NC(=O)[C@@H]1CCc2[nH]cnc2C1 ZINC000617044056 352478983 /nfs/dbraw/zinc/47/89/83/352478983.db2.gz IDCAELNTRUBEFJ-MGPQQGTHSA-N 0 1 287.407 2.766 20 30 CFEDMN C[C@H](C(=O)NC1(C#N)CCCCC1)N(C)Cc1ccccc1 ZINC000196625422 539908111 /nfs/dbraw/zinc/90/81/11/539908111.db2.gz ZTBLOEPOSYFCNT-OAHLLOKOSA-N 0 1 299.418 2.850 20 30 CFEDMN C=CCC[C@H](C(=O)N(C)CC1CN(C)C1)c1ccccc1 ZINC000618190771 352734664 /nfs/dbraw/zinc/73/46/64/352734664.db2.gz FUZYWTGDTZWJID-KRWDZBQOSA-N 0 1 286.419 2.756 20 30 CFEDMN Cc1ccoc1CN(C)CCOc1ccc(C#N)cc1 ZINC000292149578 198182230 /nfs/dbraw/zinc/18/22/30/198182230.db2.gz JYFNIOKFTZLUGB-UHFFFAOYSA-N 0 1 270.332 2.971 20 30 CFEDMN C=CCC1(NC(=O)c2ccc(O)c(Cl)c2)CCOCC1 ZINC000618246763 352737828 /nfs/dbraw/zinc/73/78/28/352737828.db2.gz YKDSMCMQAKQPCF-UHFFFAOYSA-N 0 1 295.766 2.901 20 30 CFEDMN C[C@@H](N[C@@H]1CCc2cc(C#N)ccc21)c1ccnn1C ZINC000618804799 352884307 /nfs/dbraw/zinc/88/43/07/352884307.db2.gz CUIJDZZEURHUMF-IAQYHMDHSA-N 0 1 266.348 2.630 20 30 CFEDMN C[C@H](CCC#N)CN1CCN([C@H](C#N)c2ccccc2)CC1 ZINC000618887235 352904545 /nfs/dbraw/zinc/90/45/45/352904545.db2.gz NPZUTMQLXIPRPH-SJLPKXTDSA-N 0 1 296.418 2.809 20 30 CFEDMN Cc1cc(C2CCN(Cc3ccccc3C#N)CC2)n[nH]1 ZINC000271652169 191260858 /nfs/dbraw/zinc/26/08/58/191260858.db2.gz SFRHCMYCLFEGEY-UHFFFAOYSA-N 0 1 280.375 2.969 20 30 CFEDMN Cc1cc(C2CCN(Cc3ccccc3C#N)CC2)[nH]n1 ZINC000271652169 191260860 /nfs/dbraw/zinc/26/08/60/191260860.db2.gz SFRHCMYCLFEGEY-UHFFFAOYSA-N 0 1 280.375 2.969 20 30 CFEDMN N#Cc1ccc(CN2CCOC[C@H](C3CCC3)C2)c(F)c1 ZINC000292243536 198215051 /nfs/dbraw/zinc/21/50/51/198215051.db2.gz XAKIHAWUFZPRFA-MRXNPFEDSA-N 0 1 288.366 2.946 20 30 CFEDMN Cc1cnc(CCN(C)Cc2ccccc2C#N)s1 ZINC000157404627 188315577 /nfs/dbraw/zinc/31/55/77/188315577.db2.gz VBRYTCONIQPJHP-UHFFFAOYSA-N 0 1 271.389 2.998 20 30 CFEDMN C=CCOCCSc1nc(Cc2ccccc2)n[nH]1 ZINC000292608205 198348734 /nfs/dbraw/zinc/34/87/34/198348734.db2.gz ILRASIMUBKYFNG-UHFFFAOYSA-N 0 1 275.377 2.690 20 30 CFEDMN CCC[C@H](C)[C@@H](CO)NCc1ccc(F)cc1C#N ZINC000566304240 290369662 /nfs/dbraw/zinc/36/96/62/290369662.db2.gz MKPJCUWRFNFSER-XHDPSFHLSA-N 0 1 264.344 2.584 20 30 CFEDMN Cc1cc(C(C#N)C(=O)c2csc(C3CC3)n2)nc(C)n1 ZINC000622650287 353533590 /nfs/dbraw/zinc/53/35/90/353533590.db2.gz QFVNZRFBFGAQIF-LLVKDONJSA-N 0 1 298.371 2.917 20 30 CFEDMN C=C1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1C[C@H](C)Cc2c[nH]nc21 ZINC000623225974 353597020 /nfs/dbraw/zinc/59/70/20/353597020.db2.gz ATMCQCOFGUSYIP-QPKOPYBWSA-N 0 1 285.391 2.785 20 30 CFEDMN C[C@@H](NCC(=O)N1C[C@H](C)C[C@H](C)C1)c1ccc(C#N)cc1 ZINC000271709188 191286346 /nfs/dbraw/zinc/28/63/46/191286346.db2.gz VOVPBIOEGXFLQD-QLFBSQMISA-N 0 1 299.418 2.713 20 30 CFEDMN C=CCCOCCN=c1nc(-c2ccccc2C)[nH]s1 ZINC000624066373 353796414 /nfs/dbraw/zinc/79/64/14/353796414.db2.gz HUZOXSMDLKRZCG-UHFFFAOYSA-N 0 1 289.404 2.940 20 30 CFEDMN C=CC[C@@H]1CC[N@H+](CC(=O)N2CCCC[C@@H]2CC)C1 ZINC000625699507 354088227 /nfs/dbraw/zinc/08/82/27/354088227.db2.gz FQCKSZIFEUVITF-CABCVRRESA-N 0 1 264.413 2.676 20 30 CFEDMN C=CC[C@@H]1CCN(CC(=O)Nc2cc(F)cc(F)c2)C1 ZINC000625703929 354091405 /nfs/dbraw/zinc/09/14/05/354091405.db2.gz PUICUFJKSXLJOX-LLVKDONJSA-N 0 1 280.318 2.801 20 30 CFEDMN C#CC[C@H](NCC(=O)N(CC)CC(=C)C)c1ccccc1 ZINC000271730552 191295824 /nfs/dbraw/zinc/29/58/24/191295824.db2.gz SDKJLKIWYSHQEQ-KRWDZBQOSA-N 0 1 284.403 2.765 20 30 CFEDMN C=CC[C@H]1CCN(Cc2c(C)nc3sc(C)nn23)C1 ZINC000628405204 354579413 /nfs/dbraw/zinc/57/94/13/354579413.db2.gz GKFIEIZGHAQYIO-LBPRGKRZSA-N 0 1 276.409 2.806 20 30 CFEDMN C#CC[C@H](NCC(=O)N(CC=C)CC=C)c1ccccc1 ZINC000271759854 191309246 /nfs/dbraw/zinc/30/92/46/191309246.db2.gz ZKJIMNURYFIPLO-KRWDZBQOSA-N 0 1 282.387 2.541 20 30 CFEDMN C=C(C)CN(CC)C(=O)[C@@H](C)N(C)CCOC(C)(C)C ZINC000676041715 540034145 /nfs/dbraw/zinc/03/41/45/540034145.db2.gz MVAPBNBZAQNKOM-CQSZACIVSA-N 0 1 284.444 2.546 20 30 CFEDMN C=CCCCC[N@@H+]1CC[C@H](C(=O)[O-])[C@@H]2CCC[C@@H]21 ZINC000629374608 354793374 /nfs/dbraw/zinc/79/33/74/354793374.db2.gz TVWSXGXCICKSJV-IHRRRGAJSA-N 0 1 251.370 2.918 20 30 CFEDMN C#CC[C@@H](NCC(=O)N1CCC(C)CC1)c1ccccc1 ZINC000271761216 191312309 /nfs/dbraw/zinc/31/23/09/191312309.db2.gz ZRZCMFHLAKRDTL-QGZVFWFLSA-N 0 1 284.403 2.599 20 30 CFEDMN C=C1CC(C)(C(=O)NC[C@@H](C)N2CCc3ccccc3C2)C1 ZINC000630706530 355154997 /nfs/dbraw/zinc/15/49/97/355154997.db2.gz NXSMNNUPLBFTMQ-OAHLLOKOSA-N 0 1 298.430 2.906 20 30 CFEDMN C=C1CC(C)(C(=O)Nc2cnn(-c3ccncc3)c2)C1 ZINC000630896341 355210420 /nfs/dbraw/zinc/21/04/20/355210420.db2.gz BXSHVWKYWYIRKQ-UHFFFAOYSA-N 0 1 268.320 2.562 20 30 CFEDMN C=CCN(CCc1ccco1)Cc1cnc2n1CCC2 ZINC000667946924 540133704 /nfs/dbraw/zinc/13/37/04/540133704.db2.gz ABYAJTUNZBEFES-UHFFFAOYSA-N 0 1 271.364 2.653 20 30 CFEDMN C=CCNC(=O)CNC/C=C\c1cc(C)c(C)cc1C ZINC000631108752 355295213 /nfs/dbraw/zinc/29/52/13/355295213.db2.gz GLTHHEMSSJTKJX-SREVYHEPSA-N 0 1 272.392 2.517 20 30 CFEDMN C=C(CC)CNCc1ccncc1Br ZINC000631154616 355319062 /nfs/dbraw/zinc/31/90/62/355319062.db2.gz YUKZJXHURKNNBH-UHFFFAOYSA-N 0 1 255.159 2.900 20 30 CFEDMN N#Cc1cc2c(nc1N1CCN3CCCC[C@H]3C1)CCCC2 ZINC000301581867 283116002 /nfs/dbraw/zinc/11/60/02/283116002.db2.gz PUFYSIIMNZVHRU-INIZCTEOSA-N 0 1 296.418 2.507 20 30 CFEDMN N#Cc1cc2c(nc1N1CCN(C3CCC3)CC1)CCCC2 ZINC000270938070 283116017 /nfs/dbraw/zinc/11/60/17/283116017.db2.gz JGXGWOWOFWRYMU-UHFFFAOYSA-N 0 1 296.418 2.507 20 30 CFEDMN CC(=O)c1ccc(O)c(NC(=O)C2(C#N)CC3(CC3)C2)c1 ZINC000632314977 355688061 /nfs/dbraw/zinc/68/80/61/355688061.db2.gz FPTYWIVIBOXVQN-UHFFFAOYSA-N 0 1 284.315 2.617 20 30 CFEDMN N#Cc1ccc(F)cc1CN1CCCC12CCOCC2 ZINC000374287897 283151299 /nfs/dbraw/zinc/15/12/99/283151299.db2.gz NECWITRVFYUTGN-UHFFFAOYSA-N 0 1 274.339 2.842 20 30 CFEDMN N#Cc1ccc(C=CC(=O)Nc2nc(C3CCC3)n[nH]2)cc1 ZINC000273638439 192241503 /nfs/dbraw/zinc/24/15/03/192241503.db2.gz TZZWYKQPUJXRSH-CMDGGOBGSA-N 0 1 293.330 2.596 20 30 CFEDMN N#Cc1ccc(C=CC(=O)Nc2n[nH]c(C3CCC3)n2)cc1 ZINC000273638439 192241505 /nfs/dbraw/zinc/24/15/05/192241505.db2.gz TZZWYKQPUJXRSH-CMDGGOBGSA-N 0 1 293.330 2.596 20 30 CFEDMN N#Cc1ccc(CN2CCC(CO)(c3ccccc3)CC2)o1 ZINC000293776635 198767823 /nfs/dbraw/zinc/76/78/23/198767823.db2.gz BNGFGHJALANOMM-UHFFFAOYSA-N 0 1 296.370 2.677 20 30 CFEDMN N#Cc1csc(C(=O)Nc2cc(C(F)(F)F)n[nH]2)c1 ZINC000336607052 283247024 /nfs/dbraw/zinc/24/70/24/283247024.db2.gz IXQVRPVTWQFQTJ-UHFFFAOYSA-N 0 1 286.238 2.614 20 30 CFEDMN C=CC(C)(C)C(=O)NC[C@H](c1ccc(F)cc1)N(C)C ZINC000294450127 199044313 /nfs/dbraw/zinc/04/43/13/199044313.db2.gz MDCMCLUDRAGFFU-CQSZACIVSA-N 0 1 278.371 2.757 20 30 CFEDMN C#CCNC(=O)CCN[C@@H](C)c1cc(Cl)ccc1Cl ZINC000294521585 199070530 /nfs/dbraw/zinc/07/05/30/199070530.db2.gz JEYBGXDKPMJVPI-JTQLQIEISA-N 0 1 299.201 2.784 20 30 CFEDMN CC(C)(C[C@@H]1CCCN(Cc2ccccc2C#N)C1)C(N)=O ZINC000294694560 199138007 /nfs/dbraw/zinc/13/80/07/199138007.db2.gz CNVGZPFLBRXSTQ-AWEZNQCLSA-N 0 1 299.418 2.672 20 30 CFEDMN C=CCN(CC=C)C(=O)[C@H](C)N[C@H](C)c1cnccc1C ZINC000679946664 542256163 /nfs/dbraw/zinc/25/61/63/542256163.db2.gz XSWMFDSWDQHETK-CABCVRRESA-N 0 1 287.407 2.630 20 30 CFEDMN C=C(C)[C@H](CO)N1CC[C@](F)(c2ccccc2C)C1 ZINC000669698308 540514196 /nfs/dbraw/zinc/51/41/96/540514196.db2.gz WYVDXZGRBXTZPR-JKSUJKDBSA-N 0 1 263.356 2.803 20 30 CFEDMN C=CCn1c([C@H](C)CC)nnc1N1CCN(CC)[C@@H](C)C1 ZINC000669811960 540574848 /nfs/dbraw/zinc/57/48/48/540574848.db2.gz LYDJYAFPPHVEDT-KGLIPLIRSA-N 0 1 291.443 2.508 20 30 CFEDMN C=C(C)CN1CCN(CCOc2ccc(Cl)cc2)CC1 ZINC000053100878 540678013 /nfs/dbraw/zinc/67/80/13/540678013.db2.gz RIMNEJHHZSKSAK-UHFFFAOYSA-N 0 1 294.826 2.913 20 30 CFEDMN C=CCCCCCCNC(=O)NCc1n[nH]c(C(C)C)n1 ZINC000298029857 200320028 /nfs/dbraw/zinc/32/00/28/200320028.db2.gz QPFFVDAVIXNWTR-UHFFFAOYSA-N 0 1 293.415 2.864 20 30 CFEDMN Cc1[nH]ncc1C(=O)Nc1ccc(OC(C)C)c(C#N)c1 ZINC000178663233 189135890 /nfs/dbraw/zinc/13/58/90/189135890.db2.gz SBUBBFPKRPENQJ-UHFFFAOYSA-N 0 1 284.319 2.629 20 30 CFEDMN OC[C@H]1CCCCN1CC#Cc1cccc(Cl)c1 ZINC000156126953 540917594 /nfs/dbraw/zinc/91/75/94/540917594.db2.gz FWEAZPFBZHIJSM-OAHLLOKOSA-N 0 1 263.768 2.538 20 30 CFEDMN OC[C@@H]1CCCCN1CC#Cc1cccc(Cl)c1 ZINC000156127084 540917390 /nfs/dbraw/zinc/91/73/90/540917390.db2.gz FWEAZPFBZHIJSM-HNNXBMFYSA-N 0 1 263.768 2.538 20 30 CFEDMN COc1ccc(CN(C)Cc2cccc(C#N)n2)cc1C ZINC000602463705 540926957 /nfs/dbraw/zinc/92/69/57/540926957.db2.gz MVWFBEXPLJDLKV-UHFFFAOYSA-N 0 1 281.359 2.902 20 30 CFEDMN C=CCNC(=O)CN[C@@H](C)c1ccc(SC)c(F)c1 ZINC000180031537 189233352 /nfs/dbraw/zinc/23/33/52/189233352.db2.gz DISJTFOSTIDIJB-JTQLQIEISA-N 0 1 282.384 2.500 20 30 CFEDMN Cc1n[nH]cc1CN(Cc1ccc(C#N)cc1)C1CC1 ZINC000180031174 189233355 /nfs/dbraw/zinc/23/33/55/189233355.db2.gz MFGYGVMPSMUQSE-UHFFFAOYSA-N 0 1 266.348 2.754 20 30 CFEDMN CC(C)CO[C@H]1CCN(Cc2ccc(C#N)s2)C1 ZINC000180634133 189266676 /nfs/dbraw/zinc/26/66/76/189266676.db2.gz GWUOXYKYPAOOCB-LBPRGKRZSA-N 0 1 264.394 2.867 20 30 CFEDMN Cc1[nH]nc2cc(NC(=O)c3cc(C#N)oc3C)ccc12 ZINC000436142652 240394714 /nfs/dbraw/zinc/39/47/14/240394714.db2.gz GAEWRTSSVZMXCT-UHFFFAOYSA-N 0 1 280.287 2.897 20 30 CFEDMN Cc1cc(CN(C)Cc2ccccn2)ccc1C#N ZINC000446759615 241324355 /nfs/dbraw/zinc/32/43/55/241324355.db2.gz PMEQJXBFCWXWFD-UHFFFAOYSA-N 0 1 251.333 2.894 20 30 CFEDMN C[C@H]1C[C@H]1CN1CCN(c2ccc(C#N)cc2Cl)CC1 ZINC000446915862 241339164 /nfs/dbraw/zinc/33/91/64/241339164.db2.gz HFPGVSRVVMKCND-JSGCOSHPSA-N 0 1 289.810 2.990 20 30 CFEDMN CC[C@H]1CN(CC)CCN1Cc1ccc(C#N)s1 ZINC000449567859 242036694 /nfs/dbraw/zinc/03/66/94/242036694.db2.gz YWQDWBANISQVOF-LBPRGKRZSA-N 0 1 263.410 2.536 20 30 CFEDMN C=C[C@](C)(CC)C(=O)Nc1ccn(-c2ccncc2)n1 ZINC000276048636 193197204 /nfs/dbraw/zinc/19/72/04/193197204.db2.gz XLVPUVOOTPEHQN-OAHLLOKOSA-N 0 1 270.336 2.808 20 30 CFEDMN CC[C@]1(C)CCCN(CC(=O)NCc2cccc(C#N)c2)C1 ZINC000330925084 203394853 /nfs/dbraw/zinc/39/48/53/203394853.db2.gz GMZVWGXDLGXMFG-GOSISDBHSA-N 0 1 299.418 2.687 20 30 CFEDMN C=CCCN(C)[C@@H](C)C(=O)N(CC)c1ccccc1 ZINC000276377734 193307362 /nfs/dbraw/zinc/30/73/62/193307362.db2.gz HTPHGAJECLTBEO-AWEZNQCLSA-N 0 1 260.381 2.936 20 30 CFEDMN C=C(C)[C@H](CO)N1CCC(C(=O)c2ccccc2)CC1 ZINC000677047341 541813224 /nfs/dbraw/zinc/81/32/24/541813224.db2.gz WMGCHJPAIZYQPN-INIZCTEOSA-N 0 1 273.376 2.518 20 30 CFEDMN CCOc1cc(C(=O)Nc2sc(C)c(C)c2C#N)on1 ZINC000459846955 245341731 /nfs/dbraw/zinc/34/17/31/245341731.db2.gz RZILNCIOJULFCQ-UHFFFAOYSA-N 0 1 291.332 2.876 20 30 CFEDMN CCOc1cc(C=NNc2ccccn2)ccc1OC ZINC000012534707 371969939 /nfs/dbraw/zinc/96/99/39/371969939.db2.gz QSLUIKMDGRMFTJ-GZTJUZNOSA-N 0 1 271.320 2.935 20 30 CFEDMN CN(CCC(=O)Nc1ccc(C#N)cc1)Cc1ccco1 ZINC000030276773 372392351 /nfs/dbraw/zinc/39/23/51/372392351.db2.gz NNNJBEPSLQMLIV-UHFFFAOYSA-N 0 1 283.331 2.612 20 30 CFEDMN C[C@@H](NCc1cccc(C(N)=O)c1)c1ccc(C#N)cc1 ZINC000036902858 372607955 /nfs/dbraw/zinc/60/79/55/372607955.db2.gz OOJLMJBYIPUBFT-GFCCVEGCSA-N 0 1 279.343 2.508 20 30 CFEDMN C=CCNC(=O)[C@@H](C)N[C@H](C)c1ccc(Cl)cc1 ZINC000042220692 372888724 /nfs/dbraw/zinc/88/87/24/372888724.db2.gz ZCARHUZUYGHHID-GHMZBOCLSA-N 0 1 266.772 2.681 20 30 CFEDMN C=CCNC(=O)[C@H](C)N[C@H](C)c1ccc(Cl)cc1 ZINC000042220690 372889506 /nfs/dbraw/zinc/88/95/06/372889506.db2.gz ZCARHUZUYGHHID-MNOVXSKESA-N 0 1 266.772 2.681 20 30 CFEDMN N#Cc1ccc(OCCCN2CCO[C@@H]3CCC[C@@H]32)cc1 ZINC000042292846 372900489 /nfs/dbraw/zinc/90/04/89/372900489.db2.gz GPTFZHWPACZEKW-DLBZAZTESA-N 0 1 286.375 2.580 20 30 CFEDMN C[C@H](N[C@@H](C)c1ccc(C#N)cc1)c1cnn(C)c1 ZINC000044496895 373004682 /nfs/dbraw/zinc/00/46/82/373004682.db2.gz BVDNUDYFHCNJRS-RYUDHWBXSA-N 0 1 254.337 2.704 20 30 CFEDMN N#Cc1cccc(NC(=O)c2cc(F)cc3[nH]cnc32)c1 ZINC000048315781 373160799 /nfs/dbraw/zinc/16/07/99/373160799.db2.gz PBPJLUKIDGQGNA-UHFFFAOYSA-N 0 1 280.262 2.826 20 30 CFEDMN N#Cc1cc(F)ccc1CN1CC[C@@H]2C[C@@H](O)CC[C@H]2C1 ZINC000451708443 383688593 /nfs/dbraw/zinc/68/85/93/383688593.db2.gz NXOMVXRXGFEGDR-IGCXYCKISA-N 0 1 288.366 2.680 20 30 CFEDMN Cc1csc(C(C#N)C(=O)c2cnn(C(C)(C)C)c2)n1 ZINC000048520485 373196199 /nfs/dbraw/zinc/19/61/99/373196199.db2.gz SRXQCOANPXRPDP-NSHDSACASA-N 0 1 288.376 2.893 20 30 CFEDMN CCN(Cc1cc(C#N)ccc1F)C[C@@H]1CCCO1 ZINC000048954033 373237808 /nfs/dbraw/zinc/23/78/08/373237808.db2.gz YZAOBTAHHYBIMG-AWEZNQCLSA-N 0 1 262.328 2.698 20 30 CFEDMN C=CCNC(=O)CN(C)Cc1cccc2ccccc21 ZINC000051993052 373424724 /nfs/dbraw/zinc/42/47/24/373424724.db2.gz DOJMORLUYQKGBJ-UHFFFAOYSA-N 0 1 268.360 2.574 20 30 CFEDMN CCC(C#N)(CC)C(=O)N1CC(N(C)Cc2ccccc2)C1 ZINC000529349779 383690026 /nfs/dbraw/zinc/69/00/26/383690026.db2.gz QTTKRTAXYRGZNE-UHFFFAOYSA-N 0 1 299.418 2.659 20 30 CFEDMN N#CC1(NC(=O)CNC2(c3ccccc3)CC2)CCCCC1 ZINC000263982864 383690503 /nfs/dbraw/zinc/69/05/03/383690503.db2.gz GUTCJKPCWWZSDZ-UHFFFAOYSA-N 0 1 297.402 2.608 20 30 CFEDMN CCOc1ccc2nc(Sc3nccnc3C#N)[nH]c2c1 ZINC000054380457 373522201 /nfs/dbraw/zinc/52/22/01/373522201.db2.gz GCSDOFDVTPDSSH-UHFFFAOYSA-N 0 1 297.343 2.774 20 30 CFEDMN N#Cc1csc(CN2CCSC[C@@H]2C2CC2)c1 ZINC000334678793 220234173 /nfs/dbraw/zinc/23/41/73/220234173.db2.gz HNCBLIRESCXSJB-CYBMUJFWSA-N 0 1 264.419 2.947 20 30 CFEDMN CCN(CCC(=O)NCC1CCCCC1)C[C@H](C)C#N ZINC000066872566 373960917 /nfs/dbraw/zinc/96/09/17/373960917.db2.gz YWCWFYNCYNCMTJ-CQSZACIVSA-N 0 1 279.428 2.555 20 30 CFEDMN C=CC[C@@H](Cc1ccccc1)NC(=O)[C@@H]1C[C@H]1c1cnc[nH]1 ZINC000636028842 383695997 /nfs/dbraw/zinc/69/59/97/383695997.db2.gz RHNMYWJYZJOSJI-ARFHVFGLSA-N 0 1 295.386 2.817 20 30 CFEDMN Cc1ccc(C#N)cc1NC(=O)c1cccc2cn[nH]c21 ZINC000069504304 374070145 /nfs/dbraw/zinc/07/01/45/374070145.db2.gz UAZDQHOPERFXCE-UHFFFAOYSA-N 0 1 276.299 2.995 20 30 CFEDMN C[C@H](c1cccc(C#N)c1)N(C)Cc1cccc(C(N)=O)c1 ZINC000490392697 246008490 /nfs/dbraw/zinc/00/84/90/246008490.db2.gz HPDAWGAUKBZRCA-CYBMUJFWSA-N 0 1 293.370 2.850 20 30 CFEDMN C=C(C)CN(CC)C(=O)CN1CCC[C@@H]1c1cccn1C ZINC000078729044 374570636 /nfs/dbraw/zinc/57/06/36/374570636.db2.gz OOCGIEXRDDIIJL-MRXNPFEDSA-N 0 1 289.423 2.587 20 30 CFEDMN C#CCN1CCC(C(=O)N(CC2CC2)c2ccccc2)CC1 ZINC000084243303 374770990 /nfs/dbraw/zinc/77/09/90/374770990.db2.gz CVFBDXGDXPPQPB-UHFFFAOYSA-N 0 1 296.414 2.775 20 30 CFEDMN CC(C)Oc1cncc(C(=O)C(C#N)c2ccccn2)c1 ZINC000093244572 375199039 /nfs/dbraw/zinc/19/90/39/375199039.db2.gz HOUCXGCSFLQYBE-AWEZNQCLSA-N 0 1 281.315 2.754 20 30 CFEDMN Cn1ncc2c1CCC[C@@H]2NCc1cc(C#N)cs1 ZINC000093492341 375253876 /nfs/dbraw/zinc/25/38/76/375253876.db2.gz NZNJRMGNPFIQDN-ZDUSSCGKSA-N 0 1 272.377 2.520 20 30 CFEDMN COCCCOC1CCN(Cc2cc(C#N)cs2)CC1 ZINC000093561579 375266736 /nfs/dbraw/zinc/26/67/36/375266736.db2.gz YKRCYRPUWGVNIS-UHFFFAOYSA-N 0 1 294.420 2.637 20 30 CFEDMN CCN(CCOc1ccccc1C#N)Cc1ccccn1 ZINC000094915623 375390195 /nfs/dbraw/zinc/39/01/95/375390195.db2.gz JNQQGERYLWQZFV-UHFFFAOYSA-N 0 1 281.359 2.854 20 30 CFEDMN C#CCN1CCC(C(=O)N(CCCC)CCCC)CC1 ZINC000098093473 375601914 /nfs/dbraw/zinc/60/19/14/375601914.db2.gz KWWODVZWLJLDRZ-UHFFFAOYSA-N 0 1 278.440 2.760 20 30 CFEDMN C=CCCC[C@@H](C)N1CCN(C(=O)N2CCCCC2)CC1 ZINC000678714497 542060515 /nfs/dbraw/zinc/06/05/15/542060515.db2.gz DMSIXESNBIIVEK-MRXNPFEDSA-N 0 1 293.455 2.955 20 30 CFEDMN C=CCN(CCc1ccccc1)Cc1cc(=O)c(O)co1 ZINC000112661608 375940248 /nfs/dbraw/zinc/94/02/48/375940248.db2.gz KVGYXBAVZQZNDQ-UHFFFAOYSA-N 0 1 285.343 2.576 20 30 CFEDMN CC1(C)CCCN([C@@H]2CCN(c3ccc(C#N)cc3)C2=O)C1 ZINC000112702247 375949421 /nfs/dbraw/zinc/94/94/21/375949421.db2.gz YHSUNIIUCLLPIN-MRXNPFEDSA-N 0 1 297.402 2.786 20 30 CFEDMN N#Cc1ccc([C@H](NCCC2=CCCCC2)C(N)=O)cc1 ZINC000115595094 376143910 /nfs/dbraw/zinc/14/39/10/376143910.db2.gz WZGJCJRYDONTDK-INIZCTEOSA-N 0 1 283.375 2.565 20 30 CFEDMN C[C@@H](C(=O)N(C)CCC#N)[N@H+]1CCC[C@H](C(C)(C)C)CC1 ZINC000116309110 376178408 /nfs/dbraw/zinc/17/84/08/376178408.db2.gz BGFHTQMUEGAEAC-GJZGRUSLSA-N 0 1 293.455 2.895 20 30 CFEDMN CCC(=O)N[C@H]1CCCN([C@@H](C)c2ccc(C#N)cc2)C1 ZINC000118395576 376291644 /nfs/dbraw/zinc/29/16/44/376291644.db2.gz OUUUWRDIDUUIOU-BBRMVZONSA-N 0 1 285.391 2.610 20 30 CFEDMN CC(C)CO[C@@H]1CCN(Cc2ccc(F)c(C#N)c2)C1 ZINC000119598349 376442280 /nfs/dbraw/zinc/44/22/80/376442280.db2.gz AZLDMHOVNHXWTH-OAHLLOKOSA-N 0 1 276.355 2.944 20 30 CFEDMN C=CCCC(=O)NC[C@H](c1ccc(C)o1)N1CCCC1 ZINC000263764359 190077039 /nfs/dbraw/zinc/07/70/39/190077039.db2.gz DHQQGKQAADLRIZ-CQSZACIVSA-N 0 1 276.380 2.807 20 30 CFEDMN CC(C)(C#N)CCN1CCN(c2cccs2)CC1 ZINC000119971895 376516376 /nfs/dbraw/zinc/51/63/76/376516376.db2.gz RORQXERQBLUDPD-UHFFFAOYSA-N 0 1 263.410 2.810 20 30 CFEDMN CC(C)OCCCN(C)Cc1cc(C#N)ccc1F ZINC000264049188 190090336 /nfs/dbraw/zinc/09/03/36/190090336.db2.gz SHNZGVVEOZOTKP-UHFFFAOYSA-N 0 1 264.344 2.944 20 30 CFEDMN C[C@@H]1CN(Cc2ccc(C#N)s2)C[C@H](C)S1 ZINC000120519922 376632003 /nfs/dbraw/zinc/63/20/03/376632003.db2.gz SVNMZZKXUZNRJV-AOOOYVTPSA-N 0 1 252.408 2.946 20 30 CFEDMN C=C1CCN(C[C@H](O)COc2ccccc2Cl)CC1 ZINC000264576593 190120097 /nfs/dbraw/zinc/12/00/97/190120097.db2.gz WUMMIFPAEGKZSB-ZDUSSCGKSA-N 0 1 281.783 2.732 20 30 CFEDMN CC(C)(C)CNC(=O)C(C)(C)NCc1ccc(C#N)s1 ZINC000121199491 376779852 /nfs/dbraw/zinc/77/98/52/376779852.db2.gz NWDAJIAEZASSCM-UHFFFAOYSA-N 0 1 293.436 2.650 20 30 CFEDMN CC(C)(C)CNC(=O)C(C)(C)NCc1ccc(C#N)cc1 ZINC000121271489 376795430 /nfs/dbraw/zinc/79/54/30/376795430.db2.gz VEJSFBXMUDYINL-UHFFFAOYSA-N 0 1 287.407 2.589 20 30 CFEDMN N#Cc1ccc(CN2CCC[C@@H](c3cc[nH]n3)C2)s1 ZINC000121262479 376792544 /nfs/dbraw/zinc/79/25/44/376792544.db2.gz MMJYDBBOBAQTAQ-LLVKDONJSA-N 0 1 272.377 2.722 20 30 CFEDMN C=CCC[C@@H](O)CN(Cc1ccco1)C[C@@H]1CCCO1 ZINC000123772886 376976638 /nfs/dbraw/zinc/97/66/38/376976638.db2.gz VTZWQFRDIYIFCB-ZBFHGGJFSA-N 0 1 279.380 2.588 20 30 CFEDMN N#CCCN(Cc1ccco1)C(=O)c1c(O)cccc1F ZINC000123164297 376950295 /nfs/dbraw/zinc/95/02/95/376950295.db2.gz OAAUAOIAZLNOOB-UHFFFAOYSA-N 0 1 288.278 2.680 20 30 CFEDMN C[C@]1(O)CCCN(CC#Cc2ccc(C(F)(F)F)cc2)C1 ZINC000124411859 377046852 /nfs/dbraw/zinc/04/68/52/377046852.db2.gz VJGSNZNGJFROHY-HNNXBMFYSA-N 0 1 297.320 2.904 20 30 CFEDMN C[C@@H]1CCC[C@H](C)C[N@@H+]1CC(=O)NC1(C#N)CCCCC1 ZINC000125261355 377133986 /nfs/dbraw/zinc/13/39/86/377133986.db2.gz QUDQFHMGDCITSC-LSDHHAIUSA-N 0 1 291.439 2.840 20 30 CFEDMN C=C(Br)CN(C)[C@@H]1[C@H]2CCO[C@@H]2C1(C)C ZINC000125589244 377172857 /nfs/dbraw/zinc/17/28/57/377172857.db2.gz WCCNUKSJGUIWFE-MXWKQRLJSA-N 0 1 274.202 2.640 20 30 CFEDMN C=C(C)CN(CC)C(=O)c1c[n-]c2[nH+]c(C)ccc2c1=O ZINC000125683528 377183343 /nfs/dbraw/zinc/18/33/43/377183343.db2.gz VJJHASWLFPYZAH-UHFFFAOYSA-N 0 1 285.347 2.682 20 30 CFEDMN CN(C(=O)c1cc(-c2ccc(F)cc2)[nH]n1)C1(C#N)CCC1 ZINC000126491484 377230893 /nfs/dbraw/zinc/23/08/93/377230893.db2.gz SRJWLNOKRQLHJF-UHFFFAOYSA-N 0 1 298.321 2.734 20 30 CFEDMN C[C@@H]1CN(c2cccc(Cl)c2C#N)C[C@H](C)N1C ZINC000126714391 377245064 /nfs/dbraw/zinc/24/50/64/377245064.db2.gz PVESXGHTABJZAM-PHIMTYICSA-N 0 1 263.772 2.740 20 30 CFEDMN C=C(C)CN(CC)[C@@H](C)C(=O)NCc1ccccc1C ZINC000125938015 377203902 /nfs/dbraw/zinc/20/39/02/377203902.db2.gz JBVWEQKZRQNRCT-HNNXBMFYSA-N 0 1 274.408 2.898 20 30 CFEDMN COc1cc(CON=C(N)C(C)C)ccc1SC ZINC000128444199 377336943 /nfs/dbraw/zinc/33/69/43/377336943.db2.gz BJBYXZFKACMRNL-UHFFFAOYSA-N 0 1 268.382 2.862 20 30 CFEDMN CC(C)OC(=O)[C@@H](C)N(C)CCCC(C)(C)C#N ZINC000129836443 377478224 /nfs/dbraw/zinc/47/82/24/377478224.db2.gz KWWHTQUSDLAOBY-GFCCVEGCSA-N 0 1 254.374 2.588 20 30 CFEDMN C=CCN(CC1CCCCCC1)[C@@H]1CCS(=O)(=O)C1 ZINC000130187373 377519326 /nfs/dbraw/zinc/51/93/26/377519326.db2.gz QPQQLIOYOLSJAJ-OAHLLOKOSA-N 0 1 285.453 2.632 20 30 CFEDMN COc1ccc(C#N)cc1CN(C)CCc1ccccn1 ZINC000130393078 377549131 /nfs/dbraw/zinc/54/91/31/377549131.db2.gz CJGCUXHKWRJCCN-UHFFFAOYSA-N 0 1 281.359 2.636 20 30 CFEDMN N#Cc1cc(C(=O)C(C#N)c2ccc3ccccc3n2)c[nH]1 ZINC000679369506 542181482 /nfs/dbraw/zinc/18/14/82/542181482.db2.gz XBLHHTBQYIPXLI-AWEZNQCLSA-N 0 1 286.294 2.925 20 30 CFEDMN C=CCOCCN[C@@H](C)c1nc2c(s1)CCCC2 ZINC000679576305 542210847 /nfs/dbraw/zinc/21/08/47/542210847.db2.gz MLAGHSZUPQXDEK-NSHDSACASA-N 0 1 266.410 2.875 20 30 CFEDMN CC(C)COC(=O)N1CCCN(CCC(C)(C)C#N)CC1 ZINC000131392406 377704997 /nfs/dbraw/zinc/70/49/97/377704997.db2.gz UDFLHHURKZEIKL-UHFFFAOYSA-N 0 1 295.427 2.727 20 30 CFEDMN C[C@@H]1C[C@H](Nc2ncc(C#N)cc2Cl)CN1C1CC1 ZINC000133513492 377935424 /nfs/dbraw/zinc/93/54/24/377935424.db2.gz WPHBHQLMPKZEJY-KOLCDFICSA-N 0 1 276.771 2.644 20 30 CFEDMN Cc1cc(C[C@H](C)Nc2ncc(C#N)cc2Cl)[nH]n1 ZINC000133534963 377938456 /nfs/dbraw/zinc/93/84/56/377938456.db2.gz ZWHITSDQLJPLHF-QMMMGPOBSA-N 0 1 275.743 2.681 20 30 CFEDMN CC(C)C(N)=NOCc1coc(-c2ccccc2)n1 ZINC000133628563 377944957 /nfs/dbraw/zinc/94/49/57/377944957.db2.gz SGWZQIMYQBPFPN-UHFFFAOYSA-N 0 1 259.309 2.786 20 30 CFEDMN CN(Cc1ccc(C#N)cc1)[C@@H]1CCCc2c1cnn2C ZINC000135610058 378150505 /nfs/dbraw/zinc/15/05/05/378150505.db2.gz UEDBWPJWMIELHB-MRXNPFEDSA-N 0 1 280.375 2.801 20 30 CFEDMN CN(CCC1CC1)CC(=O)Nc1ccc(C#N)c(Cl)c1 ZINC000135287199 378110452 /nfs/dbraw/zinc/11/04/52/378110452.db2.gz DOHNONBBJFDWTE-UHFFFAOYSA-N 0 1 291.782 2.882 20 30 CFEDMN C=CCCCCCN(C)[C@@H](C)C(=O)Nc1cc(C)no1 ZINC000150897651 378279641 /nfs/dbraw/zinc/27/96/41/378279641.db2.gz WHNDOGCENQKYDX-ZDUSSCGKSA-N 0 1 279.384 2.988 20 30 CFEDMN Cc1ncc([C@@H](C)NCc2cccc(C#N)c2)c(C)n1 ZINC000151377657 378321623 /nfs/dbraw/zinc/32/16/23/378321623.db2.gz RQPLTTOMOMTMIA-LLVKDONJSA-N 0 1 266.348 2.816 20 30 CFEDMN C[C@@H]1C[C@@H](C)[C@H](C(=O)Nc2cccc(-c3cn[nH]n3)c2)O1 ZINC000328691656 378416173 /nfs/dbraw/zinc/41/61/73/378416173.db2.gz DZZWRXDHUGYDKF-GPCCPHFNSA-N 0 1 286.335 2.873 20 30 CFEDMN CNC(=O)[C@@H]1CCC[C@@H]1NC(=O)[C@@H]1CCCc2[nH]ncc21 ZINC000328932925 378441440 /nfs/dbraw/zinc/44/14/40/378441440.db2.gz BQWWFSOPAKTEQP-FOGDFJRCSA-N 0 1 290.367 2.541 20 30 CFEDMN O=C(N[C@@H]1CCc2nc[nH]c2C1)[C@H]1OCCc2ccccc21 ZINC000328953175 378444762 /nfs/dbraw/zinc/44/47/62/378444762.db2.gz OAJCVOXMCWQBQH-WBMJQRKESA-N 0 1 297.358 2.538 20 30 CFEDMN CC1=CCN(CCNC(=O)c2cncnc2C(C)C)CC1 ZINC000329328833 378454604 /nfs/dbraw/zinc/45/46/04/378454604.db2.gz KQTCCZVVTDTVPO-UHFFFAOYSA-N 0 1 288.395 2.557 20 30 CFEDMN C=CCN(C)C(=O)c1cc(-c2ccc(C)cc2)[nH]n1 ZINC000152903125 378457687 /nfs/dbraw/zinc/45/76/87/378457687.db2.gz KDYLXCJWKYDVMW-UHFFFAOYSA-N 0 1 255.321 2.643 20 30 CFEDMN O=C(CCc1cncc(F)c1)N[C@@H]1CCCc2cn[nH]c21 ZINC000329362604 378457884 /nfs/dbraw/zinc/45/78/84/378457884.db2.gz HIUDPPZOUVERKX-CYBMUJFWSA-N 0 1 288.326 2.911 20 30 CFEDMN CC1(C)CCC[C@@H]1CNC(=O)[C@H]1CCc2[nH]nnc2C1 ZINC000329463431 378462233 /nfs/dbraw/zinc/46/22/33/378462233.db2.gz QOEMOJFQFODSPG-WDEREUQCSA-N 0 1 276.384 2.692 20 30 CFEDMN CC1(C)CCC[C@@H]1CNC(=O)[C@H]1CCc2nn[nH]c2C1 ZINC000329463431 378462242 /nfs/dbraw/zinc/46/22/42/378462242.db2.gz QOEMOJFQFODSPG-WDEREUQCSA-N 0 1 276.384 2.692 20 30 CFEDMN Cc1cc(C[C@H](C)NC(=O)[C@H]2CCCSC2)n[nH]1 ZINC000329590115 378466597 /nfs/dbraw/zinc/46/65/97/378466597.db2.gz SWWGEYZFTYMOIM-ONGXEEELSA-N 0 1 267.398 2.749 20 30 CFEDMN CC1(CNC([O-])=[NH+][C@@H]2CCc3c[nH]nc3C2)CCCCC1 ZINC000329603529 378468211 /nfs/dbraw/zinc/46/82/11/378468211.db2.gz LKBMSHLHGXSQNW-CYBMUJFWSA-N 0 1 290.411 2.741 20 30 CFEDMN CC(C)c1nc([C@H](C)NC(=O)N[C@@H]2CCC[C@H]2C)n[nH]1 ZINC000328721013 378417791 /nfs/dbraw/zinc/41/77/91/378417791.db2.gz QYQICRGXEPYZOP-OUAUKWLOSA-N 0 1 279.388 2.681 20 30 CFEDMN C[C@@H]1CCCC[N@H+]1CCNC(=O)C[C@@H]1CCCCNC1=O ZINC000328774284 378423838 /nfs/dbraw/zinc/42/38/38/378423838.db2.gz BUTOKUMVOIIAQC-KGLIPLIRSA-N 0 1 295.427 2.964 20 30 CFEDMN Cc1ncc(NC(=O)[C@@H]2CCCN2C2CCOCC2)s1 ZINC000328824518 378428747 /nfs/dbraw/zinc/42/87/47/378428747.db2.gz PRRCWCSYDYUGDG-LBPRGKRZSA-N 0 1 295.408 2.683 20 30 CFEDMN O=C(NC1CCC(F)(F)CC1)N[C@H]1CCCc2cn[nH]c21 ZINC000328859124 378433318 /nfs/dbraw/zinc/43/33/18/378433318.db2.gz DSIKNUMSRASTHW-NSHDSACASA-N 0 1 298.337 2.869 20 30 CFEDMN CCc1nc([C@H](C)NC(=O)N[C@@H]2CCCCC2(C)C)n[nH]1 ZINC000328908364 378438457 /nfs/dbraw/zinc/43/84/57/378438457.db2.gz CXRCDFPHIBWZPC-WDEREUQCSA-N 0 1 293.415 2.901 20 30 CFEDMN Cc1ccn2cc(C(=O)N[C@H]3CCCc4cn[nH]c43)nc2c1 ZINC000330133041 378524626 /nfs/dbraw/zinc/52/46/26/378524626.db2.gz QUADNDRWMPXSFO-LBPRGKRZSA-N 0 1 295.346 2.748 20 30 CFEDMN Cc1nn(C)c(C)c1NC(=O)[C@H](C)N1C[C@@H]2CCC[C@H]2C1 ZINC000329768694 378494151 /nfs/dbraw/zinc/49/41/51/378494151.db2.gz GYWVRKMEGTUMDM-IHRRRGAJSA-N 0 1 290.411 2.745 20 30 CFEDMN CC[C@@H]1CCC[C@H]([NH+]=C([O-])N[C@@H]2CCc3c[nH]nc3C2)C1 ZINC000329824607 378501515 /nfs/dbraw/zinc/50/15/15/378501515.db2.gz HVAAQLFJFNUJJF-KWCYVHTRSA-N 0 1 290.411 2.739 20 30 CFEDMN CC[C@@H]1CCC[C@H](NC([O-])=[NH+][C@@H]2CCc3c[nH]nc3C2)C1 ZINC000329824607 378501521 /nfs/dbraw/zinc/50/15/21/378501521.db2.gz HVAAQLFJFNUJJF-KWCYVHTRSA-N 0 1 290.411 2.739 20 30 CFEDMN CC[C@@H]1CCCC[C@@H]1NC([O-])=[NH+][C@@H]1CCc2c[nH]nc2C1 ZINC000329839752 378502462 /nfs/dbraw/zinc/50/24/62/378502462.db2.gz NWSSGTWXESOMDZ-BNOWGMLFSA-N 0 1 290.411 2.739 20 30 CFEDMN CC[C@@H]1CCCC[C@@H]1[NH+]=C([O-])N[C@@H]1CCc2c[nH]nc2C1 ZINC000329839752 378502466 /nfs/dbraw/zinc/50/24/66/378502466.db2.gz NWSSGTWXESOMDZ-BNOWGMLFSA-N 0 1 290.411 2.739 20 30 CFEDMN C[C@@H]1CCCC[C@@H]1CNC([O-])=[NH+][C@@H]1CCc2c[nH]nc2C1 ZINC000329848209 378505177 /nfs/dbraw/zinc/50/51/77/378505177.db2.gz RJUXNHBKRSDENL-YRGRVCCFSA-N 0 1 290.411 2.597 20 30 CFEDMN C[C@H](Sc1nc(C2CC2)n[nH]1)C(=O)NC1(C#N)CCC1 ZINC000329889190 378509493 /nfs/dbraw/zinc/50/94/93/378509493.db2.gz ZVZOBIOTQBNTNZ-QMMMGPOBSA-N 0 1 291.380 2.565 20 30 CFEDMN C[C@H](Sc1n[nH]c(C2CC2)n1)C(=O)NC1(C#N)CCC1 ZINC000329889190 378509500 /nfs/dbraw/zinc/50/95/00/378509500.db2.gz ZVZOBIOTQBNTNZ-QMMMGPOBSA-N 0 1 291.380 2.565 20 30 CFEDMN CCN1CCC[C@@H](NC(=O)c2c(C)noc2C(C)C)C1 ZINC000330392591 378543343 /nfs/dbraw/zinc/54/33/43/378543343.db2.gz JDUXEHKNYWBUED-GFCCVEGCSA-N 0 1 279.384 2.895 20 30 CFEDMN Cn1cc(C#N)cc1C(=O)Nc1[nH]nc2c1cccc2Cl ZINC000154243747 378551130 /nfs/dbraw/zinc/55/11/30/378551130.db2.gz WAMZFFJHKKNENL-UHFFFAOYSA-N 0 1 299.721 2.679 20 30 CFEDMN CC(C)N(Cc1ccc(C#N)cc1)Cc1cncnc1 ZINC000154365820 378561498 /nfs/dbraw/zinc/56/14/98/378561498.db2.gz PAVWKBDKAHSNKP-UHFFFAOYSA-N 0 1 266.348 2.759 20 30 CFEDMN CC(C)C[C@](C)(C#N)NC(=O)c1ccc2cncn2c1 ZINC000330475653 378565072 /nfs/dbraw/zinc/56/50/72/378565072.db2.gz UBRPDOSOEQKIMI-OAHLLOKOSA-N 0 1 270.336 2.967 20 30 CFEDMN CC(C)(C)C1=CCN(C([O-])=[NH+]CCCn2ccnc2)CC1 ZINC000330495518 378569651 /nfs/dbraw/zinc/56/96/51/378569651.db2.gz WGZXXAWUNYKDPR-UHFFFAOYSA-N 0 1 290.411 2.865 20 30 CFEDMN CCC[C@@H]1CCCCN1C([O-])=[NH+][C@@H]1CCn2ccnc2C1 ZINC000330275589 378532959 /nfs/dbraw/zinc/53/29/59/378532959.db2.gz LRYUXTUILMRKFR-ZIAGYGMSSA-N 0 1 290.411 2.767 20 30 CFEDMN N#CC1(C(=O)N2CCN(C3CCCCC3)CC2)CCCC1 ZINC000154767423 378592903 /nfs/dbraw/zinc/59/29/03/378592903.db2.gz CBGLGJHMLRHGIQ-UHFFFAOYSA-N 0 1 289.423 2.547 20 30 CFEDMN C[C@@H]1CCN([C@@H](C(N)=O)c2ccc(C#N)cc2)[C@@H]1C ZINC000331145207 378640089 /nfs/dbraw/zinc/64/00/89/378640089.db2.gz ZBOJGTDOQMOXTM-JTNHKYCSSA-N 0 1 257.337 2.865 20 30 CFEDMN C=CCN(CC=C)Cc1cc(OC)c2c(c1)OCCO2 ZINC000158125295 378664709 /nfs/dbraw/zinc/66/47/09/378664709.db2.gz CLWOFWANTKSRKY-UHFFFAOYSA-N 0 1 275.348 2.640 20 30 CFEDMN C=C(C)CN(CC)Cc1ccc(C(=O)OCC)o1 ZINC000159011022 378680191 /nfs/dbraw/zinc/68/01/91/378680191.db2.gz FMLOYOJHPWOYGN-UHFFFAOYSA-N 0 1 251.326 2.854 20 30 CFEDMN CC[C@H]1CCCN1Cc1nnc(-c2cccc(C#N)c2)o1 ZINC000332135548 378729642 /nfs/dbraw/zinc/72/96/42/378729642.db2.gz KYXBGSZNHXPSOF-AWEZNQCLSA-N 0 1 282.347 2.983 20 30 CFEDMN N#Cc1ccc(CN[C@@H](CCCO)c2ccccc2)o1 ZINC000266173585 190237420 /nfs/dbraw/zinc/23/74/20/190237420.db2.gz SDMBVGXOGPMUQZ-INIZCTEOSA-N 0 1 270.332 2.755 20 30 CFEDMN C=CCOc1ccccc1CN[C@@H](C)c1cnn(C)c1 ZINC000161513476 378852903 /nfs/dbraw/zinc/85/29/03/378852903.db2.gz HSEQNLQFRUYWHU-ZDUSSCGKSA-N 0 1 271.364 2.836 20 30 CFEDMN N#C[C@@H]1CC[C@H](N2CC[C@]3(C2)CC(=O)c2ccccc2O3)C1 ZINC000334027250 378890709 /nfs/dbraw/zinc/89/07/09/378890709.db2.gz HZSDARKPNMMPPO-QWQRMKEZSA-N 0 1 296.370 2.789 20 30 CFEDMN C=CC1CCN(Cc2c(C)nc3sc(C)nn23)CC1 ZINC000334174480 378901381 /nfs/dbraw/zinc/90/13/81/378901381.db2.gz BHYVVDCIURONAW-UHFFFAOYSA-N 0 1 276.409 2.806 20 30 CFEDMN CN(C(=O)OC(C)(C)C)[C@H]1CCCN(CCCC#N)C1 ZINC000170652814 379134683 /nfs/dbraw/zinc/13/46/83/379134683.db2.gz FSKOJKUACSRQQB-ZDUSSCGKSA-N 0 1 281.400 2.621 20 30 CFEDMN CC[C@@H]1C[C@@H](C)C[N@H+]1Cc1cnc2ccc(C#N)cn12 ZINC000334427984 379281157 /nfs/dbraw/zinc/28/11/57/379281157.db2.gz HQSPGWZHUXVIMT-TZMCWYRMSA-N 0 1 268.364 2.826 20 30 CFEDMN N#Cc1cccc(CN2CCC[C@@H](c3ncc[nH]3)C2)c1F ZINC000335445908 379311023 /nfs/dbraw/zinc/31/10/23/379311023.db2.gz MNLRYIRFHVKSBR-CQSZACIVSA-N 0 1 284.338 2.800 20 30 CFEDMN C=CCC[C@@H](NCC1(C)OCCO1)c1ccco1 ZINC000278939180 194219648 /nfs/dbraw/zinc/21/96/48/194219648.db2.gz LXBPSMHVLOQJHI-GFCCVEGCSA-N 0 1 251.326 2.640 20 30 CFEDMN C=CCCN(C)CC(=O)Nc1ccccc1SC ZINC000172619153 379608144 /nfs/dbraw/zinc/60/81/44/379608144.db2.gz VSKLAAVTHZFDEM-UHFFFAOYSA-N 0 1 264.394 2.855 20 30 CFEDMN Cc1nc(C)c(CNCc2ccc(C#N)s2)s1 ZINC000267238312 190314383 /nfs/dbraw/zinc/31/43/83/190314383.db2.gz XDRINURVIXONIB-UHFFFAOYSA-N 0 1 263.391 2.983 20 30 CFEDMN Cc1cc(C[N@H+]2CCC[C@@H](n3cccn3)C2)ccc1C#N ZINC000335699419 379744137 /nfs/dbraw/zinc/74/41/37/379744137.db2.gz YNAMVFOVVAFPCQ-QGZVFWFLSA-N 0 1 280.375 2.900 20 30 CFEDMN N#Cc1ccc2c(c1)N(C(=O)c1cc(F)ccc1O)CC2 ZINC000335703495 379752678 /nfs/dbraw/zinc/75/26/78/379752678.db2.gz LCRCNQIUELKHSH-UHFFFAOYSA-N 0 1 282.274 2.606 20 30 CFEDMN Cc1[nH]ncc1CNC(=O)Nc1ccc(C#N)cc1Cl ZINC000335736991 379806381 /nfs/dbraw/zinc/80/63/81/379806381.db2.gz KZJUKTMNXFQSHE-UHFFFAOYSA-N 0 1 289.726 2.565 20 30 CFEDMN C[C@H](CNc1ccc(C#N)nc1)N1CCc2sccc2C1 ZINC000267420499 190329736 /nfs/dbraw/zinc/32/97/36/190329736.db2.gz UKRFMCPHBAEXCP-GFCCVEGCSA-N 0 1 298.415 2.873 20 30 CFEDMN CCN1CCCC[C@H]1CNc1snc(Cl)c1C#N ZINC000267553497 190337160 /nfs/dbraw/zinc/33/71/60/190337160.db2.gz YMJDLFFALFFAAK-VIFPVBQESA-N 0 1 284.816 2.954 20 30 CFEDMN N#CCc1ccc(CN2CCOCC23CCCC3)cc1 ZINC000335823130 379947679 /nfs/dbraw/zinc/94/76/79/379947679.db2.gz IHNGRYGBSZNEHA-UHFFFAOYSA-N 0 1 270.376 2.898 20 30 CFEDMN N#Cc1ccc(CN2C[C@H](O)C[C@@H]2c2ccccc2)s1 ZINC000335247238 380076092 /nfs/dbraw/zinc/07/60/92/380076092.db2.gz WNTLWUJIYCUQLK-CZUORRHYSA-N 0 1 284.384 2.928 20 30 CFEDMN CC[N@H+]1CC[C@@H](N(C)C(=O)c2cc(C#N)cs2)C[C@@H]1C ZINC000335884321 380049625 /nfs/dbraw/zinc/04/96/25/380049625.db2.gz PTKNSIOKIBWINM-WCQYABFASA-N 0 1 291.420 2.565 20 30 CFEDMN C#Cc1cccc(N(CC)C(=O)[C@H]2CCCc3[nH]ncc32)c1 ZINC000268128172 190379094 /nfs/dbraw/zinc/37/90/94/190379094.db2.gz DSWITHZSXYZPNB-HNNXBMFYSA-N 0 1 293.370 2.864 20 30 CFEDMN CC(C)[C@H]1CN(Cc2cccc(C#N)c2F)CCCO1 ZINC000335979463 380189476 /nfs/dbraw/zinc/18/94/76/380189476.db2.gz HIMQMMAKYCOHIY-OAHLLOKOSA-N 0 1 276.355 2.944 20 30 CFEDMN C=CC[C@H](C)NC(=O)NCCN(C)Cc1ccc(F)cc1 ZINC000175942938 380158775 /nfs/dbraw/zinc/15/87/75/380158775.db2.gz OVHDVODPFRKUQT-ZDUSSCGKSA-N 0 1 293.386 2.521 20 30 CFEDMN N#C[C@H](NC(=O)Cc1[nH]nc2ccccc21)C1CCCCC1 ZINC000176642607 380259441 /nfs/dbraw/zinc/25/94/41/380259441.db2.gz SYDAIKYPSWQITE-INIZCTEOSA-N 0 1 296.374 2.694 20 30 CFEDMN C[C@H]1C[C@]1(C#N)C(=O)Nc1cc(Cl)c(O)cc1F ZINC000336290488 380310218 /nfs/dbraw/zinc/31/02/18/380310218.db2.gz LQRPLQMVHSTRCO-PWCHPLFNSA-N 0 1 268.675 2.673 20 30 CFEDMN C[C@@H](C(=O)N[C@@H]1CCCc2cn[nH]c21)c1cccc(C#N)c1 ZINC000336564961 380474140 /nfs/dbraw/zinc/47/41/40/380474140.db2.gz MVBVFKPXQVPULT-IAQYHMDHSA-N 0 1 294.358 2.579 20 30 CFEDMN C=C[C@H]1CCCC[N@@H+]1Cc1cnc2c(c1)c(C)nn2C ZINC000336569039 380480354 /nfs/dbraw/zinc/48/03/54/380480354.db2.gz FAZJFUQDIKLWCF-AWEZNQCLSA-N 0 1 270.380 2.817 20 30 CFEDMN C=C[C@H]1CCCCN1Cc1cnc2c(c1)c(C)nn2C ZINC000336569039 380480360 /nfs/dbraw/zinc/48/03/60/380480360.db2.gz FAZJFUQDIKLWCF-AWEZNQCLSA-N 0 1 270.380 2.817 20 30 CFEDMN CN(Cc1cccc(C#N)c1)Cc1cccc2nccn21 ZINC000179681968 380570271 /nfs/dbraw/zinc/57/02/71/380570271.db2.gz JOJIMLPUHSAULM-UHFFFAOYSA-N 0 1 276.343 2.838 20 30 CFEDMN C=C[C@@H](C)NCc1cn2ccc(Br)cc2n1 ZINC000336783231 380628703 /nfs/dbraw/zinc/62/87/03/380628703.db2.gz ZUYXYXJCQVQLKJ-SECBINFHSA-N 0 1 280.169 2.761 20 30 CFEDMN CCn1cc([C@@H](C)NCc2ccc(OCC#N)cc2)cn1 ZINC000180560309 380676173 /nfs/dbraw/zinc/67/61/73/380676173.db2.gz NIHLYRQCXJHJEC-CYBMUJFWSA-N 0 1 284.363 2.656 20 30 CFEDMN C[C@@]1(F)CCCN(CCOc2ccc(C#N)cc2)C1 ZINC000295354755 380805458 /nfs/dbraw/zinc/80/54/58/380805458.db2.gz IXBURHBNIGNSCB-OAHLLOKOSA-N 0 1 262.328 2.761 20 30 CFEDMN COc1cc(C#N)ccc1CN1CCC[C@@](C)(OC)C1 ZINC000279199053 194328958 /nfs/dbraw/zinc/32/89/58/194328958.db2.gz ANCXZCZPOHVBHG-MRXNPFEDSA-N 0 1 274.364 2.568 20 30 CFEDMN C=CCC[C@H](C(=O)NCc1n[nH]c(CC)n1)c1ccccc1 ZINC000295395199 380827658 /nfs/dbraw/zinc/82/76/58/380827658.db2.gz QXFANBDRXQWURV-AWEZNQCLSA-N 0 1 298.390 2.733 20 30 CFEDMN N#Cc1cccc(CN[C@@H](CCO)c2ccccc2)c1F ZINC000341203987 380830035 /nfs/dbraw/zinc/83/00/35/380830035.db2.gz DNMHHCCURCLRFC-INIZCTEOSA-N 0 1 284.334 2.911 20 30 CFEDMN C[C@@H](NCCC(=O)NC(C)(C)C)c1ccc(C#N)cc1F ZINC000358562317 380929862 /nfs/dbraw/zinc/92/98/62/380929862.db2.gz UILFGQLIWHAVFP-LLVKDONJSA-N 0 1 291.370 2.653 20 30 CFEDMN CC(C)[C@@](C)(C#N)NC(=O)[C@@H](C)N1CCC(C)(C)CC1 ZINC000407994325 380912095 /nfs/dbraw/zinc/91/20/95/380912095.db2.gz BKPUJIAQCJHDOE-CZUORRHYSA-N 0 1 279.428 2.551 20 30 CFEDMN C=CCC(C)(C)C(=O)N1C[C@H](C)N(CC)C[C@H]1C ZINC000410638548 380984690 /nfs/dbraw/zinc/98/46/90/380984690.db2.gz QJBANHVJCLKCCR-QWHCGFSZSA-N 0 1 252.402 2.530 20 30 CFEDMN C=CCN1CC[C@@H](N(C)c2ccnc3cc(F)ccc32)C1=O ZINC000358678646 381009979 /nfs/dbraw/zinc/00/99/79/381009979.db2.gz MHAMEWBHZDDVMW-MRXNPFEDSA-N 0 1 299.349 2.597 20 30 CFEDMN CCCN(C[C@H](C#N)CCC#N)C[C@H]1CCCCO1 ZINC000411370957 381023996 /nfs/dbraw/zinc/02/39/96/381023996.db2.gz WDJWAYNVYDSMTK-LSDHHAIUSA-N 0 1 263.385 2.711 20 30 CFEDMN CCOC(=O)[C@@H]1CN([C@H](C)CCC#N)Cc2ccccc21 ZINC000411396677 381025958 /nfs/dbraw/zinc/02/59/58/381025958.db2.gz GDSCBRLXYCQZHN-CZUORRHYSA-N 0 1 286.375 2.841 20 30 CFEDMN C#Cc1ccc(CN2CCN(c3cccc(O)c3)CC2)cc1 ZINC000289188401 381028509 /nfs/dbraw/zinc/02/85/09/381028509.db2.gz UENCEQWIQZVJNX-UHFFFAOYSA-N 0 1 292.382 2.696 20 30 CFEDMN CCC[C@H](C#N)N(C)C(=O)[C@@H](C)N(C)Cc1ccccc1 ZINC000410829605 380992974 /nfs/dbraw/zinc/99/29/74/380992974.db2.gz RHZBCOPQYPWHEA-GDBMZVCRSA-N 0 1 287.407 2.658 20 30 CFEDMN N#Cc1cccc(OCCCN2CCc3ncccc3C2)c1 ZINC000368333462 380994045 /nfs/dbraw/zinc/99/40/45/380994045.db2.gz TWEIEMVFLUAYAW-UHFFFAOYSA-N 0 1 293.370 2.780 20 30 CFEDMN C=C(CNC(=O)N1CCN(C2CCC2)CC1)c1ccccc1 ZINC000288033179 380996020 /nfs/dbraw/zinc/99/60/20/380996020.db2.gz NUJZBJAZUDGLHT-UHFFFAOYSA-N 0 1 299.418 2.580 20 30 CFEDMN CC[C@H](NCc1ccc(F)cc1C#N)[C@H]1CCCO1 ZINC000182330948 381066230 /nfs/dbraw/zinc/06/62/30/381066230.db2.gz HRJOCGQVMHTZKZ-LSDHHAIUSA-N 0 1 262.328 2.745 20 30 CFEDMN C=C(C)CNCc1cn2ccc(Br)cc2n1 ZINC000289435040 197344886 /nfs/dbraw/zinc/34/48/86/197344886.db2.gz AALSCFWLIXXCSV-UHFFFAOYSA-N 0 1 280.169 2.763 20 30 CFEDMN C=CC[C@H]1N(C(=O)[C@@H]2CCCN2C)CCCC1(C)C ZINC000347474304 381174501 /nfs/dbraw/zinc/17/45/01/381174501.db2.gz VRRGIMDTVZITIU-UONOGXRCSA-N 0 1 264.413 2.674 20 30 CFEDMN C=CCC[C@H](O)CN1[C@@H](C)COC[C@@H]1c1ccccc1 ZINC000347495921 381186828 /nfs/dbraw/zinc/18/68/28/381186828.db2.gz YFZATXHBVSSNOY-BHYGNILZSA-N 0 1 275.392 2.776 20 30 CFEDMN N#Cc1ccccc1CSCCN[C@H]1CCn2ccnc21 ZINC000296063966 381238920 /nfs/dbraw/zinc/23/89/20/381238920.db2.gz RSRSDQXJTRYLDD-HNNXBMFYSA-N 0 1 298.415 2.723 20 30 CFEDMN CO[C@H](C)CN(Cc1cc(C#N)ccc1F)C(C)C ZINC000354451749 381278112 /nfs/dbraw/zinc/27/81/12/381278112.db2.gz LJACHEJKQDNMQV-GFCCVEGCSA-N 0 1 264.344 2.943 20 30 CFEDMN COc1ccc(CN[C@H](C)c2ccc(C#N)cc2)c(OC)n1 ZINC000290117177 381306890 /nfs/dbraw/zinc/30/68/90/381306890.db2.gz JAEMCXIVWGNUJE-GFCCVEGCSA-N 0 1 297.358 2.821 20 30 CFEDMN CCc1ccccc1NC(=O)C[C@@H](C)NC[C@H](C)C#N ZINC000183836170 381327982 /nfs/dbraw/zinc/32/79/82/381327982.db2.gz YLBZGFGQXRRCGN-CHWSQXEVSA-N 0 1 273.380 2.715 20 30 CFEDMN Cn1ccc([C@@H](NCCCCC#N)c2ccc(F)cc2)n1 ZINC000342454853 381340415 /nfs/dbraw/zinc/34/04/15/381340415.db2.gz CIGUCBLQAXZPLY-INIZCTEOSA-N 0 1 286.354 2.932 20 30 CFEDMN COc1ccc(CN[C@@H](C)c2ccc(C#N)cc2)c(OC)n1 ZINC000290117179 381307665 /nfs/dbraw/zinc/30/76/65/381307665.db2.gz JAEMCXIVWGNUJE-LBPRGKRZSA-N 0 1 297.358 2.821 20 30 CFEDMN C=CCCN(C)CC(=O)N[C@H](C)Cc1c(F)cccc1F ZINC000342730217 381505492 /nfs/dbraw/zinc/50/54/92/381505492.db2.gz IVCUZEVHGWULTH-GFCCVEGCSA-N 0 1 296.361 2.520 20 30 CFEDMN COC[C@]1(C)CCN(CC#Cc2ccc(F)cc2)C1 ZINC000296692332 381508399 /nfs/dbraw/zinc/50/83/99/381508399.db2.gz LZYMMWPISUHYSB-MRXNPFEDSA-N 0 1 261.340 2.536 20 30 CFEDMN Cc1ccc2nc(CNc3nnc(C)c(C)c3C#N)[nH]c2c1 ZINC000342789708 381542448 /nfs/dbraw/zinc/54/24/48/381542448.db2.gz OSRHRUOBVVKKRT-UHFFFAOYSA-N 0 1 292.346 2.762 20 30 CFEDMN C[C@H](c1ccsc1)N1CCN(c2ccnc(C#N)c2)CC1 ZINC000342829304 381572490 /nfs/dbraw/zinc/57/24/90/381572490.db2.gz DBZOCWOLYJBZMX-CYBMUJFWSA-N 0 1 298.415 2.898 20 30 CFEDMN N#Cc1cc(Cl)ccc1N1CCC[C@@H](c2nc[nH]n2)C1 ZINC000371271334 381579990 /nfs/dbraw/zinc/57/99/90/381579990.db2.gz PNSOFMUOYISROY-SNVBAGLBSA-N 0 1 287.754 2.714 20 30 CFEDMN C[C@@H](C(=O)Nc1ccccc1C#N)N1CCC2(CC2)CC1 ZINC000371341443 381595660 /nfs/dbraw/zinc/59/56/60/381595660.db2.gz OGPXYFWNPHRJGH-ZDUSSCGKSA-N 0 1 283.375 2.761 20 30 CFEDMN CCCCCCCCCNC(=O)[C@H]1C[C@@H]1c1nc[nH]n1 ZINC000371570729 381660696 /nfs/dbraw/zinc/66/06/96/381660696.db2.gz DSFRDWZENNMUCB-STQMWFEESA-N 0 1 278.400 2.775 20 30 CFEDMN C=C(C)CN(CC)[C@H](C)C(=O)Nc1ccc2c(c1)OCO2 ZINC000298690917 381714538 /nfs/dbraw/zinc/71/45/38/381714538.db2.gz YVJLPLRIDQPNGJ-GFCCVEGCSA-N 0 1 290.363 2.640 20 30 CFEDMN CO[C@H]1CCCN(Cc2cn3ccccc3c2C#N)CC1 ZINC000371737498 381690328 /nfs/dbraw/zinc/69/03/28/381690328.db2.gz UXGUSZRGNUIDSD-HNNXBMFYSA-N 0 1 283.375 2.812 20 30 CFEDMN C=CC[C@H](CO)N[C@@H](C)c1nc(C(F)(F)F)cs1 ZINC000343470721 381734003 /nfs/dbraw/zinc/73/40/03/381734003.db2.gz XRBUFDNRUAEEDB-JGVFFNPUSA-N 0 1 280.315 2.750 20 30 CFEDMN N#Cc1ccc(CN2CC[C@@H](COC(F)F)C2)s1 ZINC000348869200 381747043 /nfs/dbraw/zinc/74/70/43/381747043.db2.gz MMAIAUPUCUQCAN-SECBINFHSA-N 0 1 272.320 2.681 20 30 CFEDMN C=CCNC(=O)[C@H](C)N(CC)Cc1ccc(Cl)cc1 ZINC000343564330 381801232 /nfs/dbraw/zinc/80/12/32/381801232.db2.gz INOKOZSSWLFSKN-LBPRGKRZSA-N 0 1 280.799 2.853 20 30 CFEDMN C#CC[C@@H](NCC(=O)N(C)Cc1ccco1)c1ccccc1 ZINC000299149556 381843424 /nfs/dbraw/zinc/84/34/24/381843424.db2.gz WUWCBFZJEMFYAB-QGZVFWFLSA-N 0 1 296.370 2.592 20 30 CFEDMN Cc1nc(N[C@@H]2CN(C3CC3)C[C@H]2C)c(Cl)cc1C#N ZINC000292552976 381809394 /nfs/dbraw/zinc/80/93/94/381809394.db2.gz JAIHJSSFFSEABK-YMTOWFKASA-N 0 1 290.798 2.810 20 30 CFEDMN CC[C@H](CC1CCCCC1)C(=O)N=c1[nH]n(C)cc1C#N ZINC000415250858 381818924 /nfs/dbraw/zinc/81/89/24/381818924.db2.gz DPGWAFVUERWJKD-CYBMUJFWSA-N 0 1 288.395 2.649 20 30 CFEDMN C=CCOCCCN1C[C@@H](O)C[C@H]1c1ccc(F)c(F)c1 ZINC000343680709 381883171 /nfs/dbraw/zinc/88/31/71/381883171.db2.gz GIEICEGHIPUGKR-BBRMVZONSA-N 0 1 297.345 2.665 20 30 CFEDMN CCc1noc(C)c1CNCc1cccc(C#N)c1 ZINC000292823601 381852502 /nfs/dbraw/zinc/85/25/02/381852502.db2.gz ACPFLBHRZVCQEG-UHFFFAOYSA-N 0 1 255.321 2.707 20 30 CFEDMN C=CCN(Cc1ccccc1F)C[C@@H](O)CCOC(C)C ZINC000349219020 381852923 /nfs/dbraw/zinc/85/29/23/381852923.db2.gz VHFBIOCPUOSDAD-INIZCTEOSA-N 0 1 295.398 2.990 20 30 CFEDMN C=CCN(CC)[C@H]1CCCN(c2ccc(C#N)cc2)C1=O ZINC000361904572 381871702 /nfs/dbraw/zinc/87/17/02/381871702.db2.gz APLWTBADQDBZFE-INIZCTEOSA-N 0 1 283.375 2.562 20 30 CFEDMN C=CCN1CC[C@H]2CCN(C(=O)OC(C)(C)C)[C@H]2C1 ZINC000372990173 381904580 /nfs/dbraw/zinc/90/45/80/381904580.db2.gz NDEKYSQDTPCMOG-STQMWFEESA-N 0 1 266.385 2.504 20 30 CFEDMN C#CCN1CCC(C(=O)N(CC)c2ccc(CC)cc2)CC1 ZINC000299346503 381905621 /nfs/dbraw/zinc/90/56/21/381905621.db2.gz MOBIQJLIQSVUDA-UHFFFAOYSA-N 0 1 298.430 2.947 20 30 CFEDMN CC(C)CN(C)CC(=O)Nc1cc(Cl)ccc1C#N ZINC000299347044 381905933 /nfs/dbraw/zinc/90/59/33/381905933.db2.gz PQCBYESIUBBVNK-UHFFFAOYSA-N 0 1 279.771 2.738 20 30 CFEDMN C=CCOc1ccc(C(=O)N[C@H]2CCCc3cn[nH]c32)cc1 ZINC000362094570 381908294 /nfs/dbraw/zinc/90/82/94/381908294.db2.gz IFZOTFSMPNUJEK-HNNXBMFYSA-N 0 1 297.358 2.782 20 30 CFEDMN CC(C)(C)c1nc(CNC2(c3cccc(C#N)c3)CC2)n[nH]1 ZINC000292895704 381889945 /nfs/dbraw/zinc/88/99/45/381889945.db2.gz JQTIJPDFDVMIGJ-UHFFFAOYSA-N 0 1 295.390 2.753 20 30 CFEDMN Cc1nc(CN[C@@H]2CCC[C@H](C#N)C2)c2n1CCCC2 ZINC000373208434 381949180 /nfs/dbraw/zinc/94/91/80/381949180.db2.gz ZFAROAVYSUPVDV-UONOGXRCSA-N 0 1 272.396 2.700 20 30 CFEDMN CCOC(=O)CC(C)(C)N(C)Cc1ccccc1C#N ZINC000343885776 382003253 /nfs/dbraw/zinc/00/32/53/382003253.db2.gz YQFFCHKXYCYSMF-UHFFFAOYSA-N 0 1 274.364 2.722 20 30 CFEDMN CC#CCN(C)C[C@@H](O)c1ccccc1C(F)(F)F ZINC000293242569 382044477 /nfs/dbraw/zinc/04/44/77/382044477.db2.gz SVPGERUKPZLXIW-CYBMUJFWSA-N 0 1 271.282 2.694 20 30 CFEDMN O[C@@H]1CCCN(CC#Cc2ccc(Cl)cc2)CC1 ZINC000293274756 382058496 /nfs/dbraw/zinc/05/84/96/382058496.db2.gz VEFJYYPZFMDTCW-OAHLLOKOSA-N 0 1 263.768 2.538 20 30 CFEDMN C=CCC[C@H](N[C@@H]1CC(=O)N([C@@H]2C[C@@H]2C)C1)c1ccco1 ZINC000375852631 382107300 /nfs/dbraw/zinc/10/73/00/382107300.db2.gz NYSQQVRVFOBETF-LJISPDSOSA-N 0 1 288.391 2.886 20 30 CFEDMN C=CC[C@H](C)NC(=O)N1CCC(c2cn[nH]c2C)CC1 ZINC000375191340 382071771 /nfs/dbraw/zinc/07/17/71/382071771.db2.gz FMJLBBCWNXKXCG-NSHDSACASA-N 0 1 276.384 2.572 20 30 CFEDMN C[C@H]1CN(C(C)(C)CNc2ccc(C#N)cc2)C[C@H](C)O1 ZINC000301077890 382075431 /nfs/dbraw/zinc/07/54/31/382075431.db2.gz LACXERXKYWXBIK-KBPBESRZSA-N 0 1 287.407 2.858 20 30 CFEDMN C=CCN1CC[C@H](N2CC[C@H](c3csc(C)c3)C2)C1=O ZINC000375615420 382093115 /nfs/dbraw/zinc/09/31/15/382093115.db2.gz ZFGVEDDTLASNPM-ZFWWWQNUSA-N 0 1 290.432 2.633 20 30 CFEDMN C=CCC1(C(=O)N2C[C@H](C)N(CC)C[C@H]2C)CCC1 ZINC000362492952 382098604 /nfs/dbraw/zinc/09/86/04/382098604.db2.gz QTAUNWDJLAQDGK-UONOGXRCSA-N 0 1 264.413 2.674 20 30 CFEDMN N#Cc1ccc(-c2nnc(CN3CCC4(CC4)CC3)o2)cc1 ZINC000376799785 382177879 /nfs/dbraw/zinc/17/78/79/382177879.db2.gz ULZHTVXEMXVAPN-UHFFFAOYSA-N 0 1 294.358 2.984 20 30 CFEDMN CN(Cc1ccc(Cl)cc1C#N)CC1(O)CCCC1 ZINC000187321039 382153464 /nfs/dbraw/zinc/15/34/64/382153464.db2.gz YCJHERCQFOIICX-UHFFFAOYSA-N 0 1 278.783 2.949 20 30 CFEDMN N#Cc1ccc(SCc2c[nH]nn2)cc1C(F)(F)F ZINC000352160474 382201695 /nfs/dbraw/zinc/20/16/95/382201695.db2.gz LMYWCIIUZKMBMU-UHFFFAOYSA-N 0 1 284.266 2.987 20 30 CFEDMN C=C(C)COc1cc(CN2CC[C@@H]2COC)ccc1OC ZINC000293653804 382217050 /nfs/dbraw/zinc/21/70/50/382217050.db2.gz NGOTVIQPIZRDEB-OAHLLOKOSA-N 0 1 291.391 2.871 20 30 CFEDMN COC1CC(N(C)Cc2ccc(C#N)cc2Cl)C1 ZINC000352195680 382221641 /nfs/dbraw/zinc/22/16/41/382221641.db2.gz SKUBHPNBIBOLQN-UHFFFAOYSA-N 0 1 264.756 2.821 20 30 CFEDMN C=CCNC(=O)C1CCN(Cc2ccc(Cl)s2)CC1 ZINC000363077948 382226252 /nfs/dbraw/zinc/22/62/52/382226252.db2.gz DJFXNGGJKMVIKL-UHFFFAOYSA-N 0 1 298.839 2.916 20 30 CFEDMN CCc1nc([C@H]2CCCN(Cc3ccc(C#N)cc3)C2)no1 ZINC000377499464 382278466 /nfs/dbraw/zinc/27/84/66/382278466.db2.gz QXVQSYSCBRMBHK-HNNXBMFYSA-N 0 1 296.374 2.883 20 30 CFEDMN C=CCOCCN1CCC[C@H]1CC(=O)c1cccs1 ZINC000293727008 382252845 /nfs/dbraw/zinc/25/28/45/382252845.db2.gz GGWHFEPGUUDXLZ-ZDUSSCGKSA-N 0 1 279.405 2.988 20 30 CFEDMN C=C(C)C[C@H](C)C(=O)N1[C@@H](C)CN(CC)C[C@@H]1C ZINC000344438501 382264176 /nfs/dbraw/zinc/26/41/76/382264176.db2.gz WXOTUQNSGIJCCX-IHRRRGAJSA-N 0 1 252.402 2.530 20 30 CFEDMN C=C(C)CN(CC)[C@@H](C)C(=O)NCC1CCCCC1 ZINC000302737796 382307703 /nfs/dbraw/zinc/30/77/03/382307703.db2.gz GTGFKJIOOSBRJX-AWEZNQCLSA-N 0 1 266.429 2.969 20 30 CFEDMN CCN(Cc1ccccc1C)[C@H](C)C(=O)NC1(C#N)CCC1 ZINC000345863510 382318634 /nfs/dbraw/zinc/31/86/34/382318634.db2.gz QVCNUHCAXXYMDL-OAHLLOKOSA-N 0 1 299.418 2.768 20 30 CFEDMN C=CCCCC(=O)NCc1nc2cccc(C)c2[nH]1 ZINC000345937129 382323946 /nfs/dbraw/zinc/32/39/46/382323946.db2.gz VTZSCYLIYRTPBD-UHFFFAOYSA-N 0 1 257.337 2.844 20 30 CFEDMN C=CCC(F)(F)C(=O)NC[C@H](c1ccsc1)N(C)C ZINC000293909586 382332575 /nfs/dbraw/zinc/33/25/75/382332575.db2.gz CZSAWVZAORACJR-LLVKDONJSA-N 0 1 288.363 2.678 20 30 CFEDMN C[C@@H]1CN(Cc2c(C#N)cccc2[N+](=O)[O-])[C@@H](C)[C@H]1C ZINC000419351761 382294812 /nfs/dbraw/zinc/29/48/12/382294812.db2.gz JQCIEMRHUFHWNL-WOPDTQHZSA-N 0 1 273.336 2.943 20 30 CFEDMN C=C(C)CN(CC)C(=O)CN1CCSC[C@@H]1C1CCC1 ZINC000419367422 382300202 /nfs/dbraw/zinc/30/02/02/382300202.db2.gz URYJJRMOEVWJNN-OAHLLOKOSA-N 0 1 296.480 2.629 20 30 CFEDMN N#Cc1ccc(CN2CCCO[C@H]3CCC[C@@H]32)cc1F ZINC000365274982 382370745 /nfs/dbraw/zinc/37/07/45/382370745.db2.gz NGNAATDHKYHSMO-HOTGVXAUSA-N 0 1 274.339 2.841 20 30 CFEDMN CN(C)c1ccccc1NC(=O)c1ccc(C#N)c(O)c1 ZINC000188284492 382382566 /nfs/dbraw/zinc/38/25/66/382382566.db2.gz DQSACMMGZRJSBB-UHFFFAOYSA-N 0 1 281.315 2.582 20 30 CFEDMN CCc1cnc(NC(=O)c2ccc(C#N)c(O)c2)s1 ZINC000188577388 382437971 /nfs/dbraw/zinc/43/79/71/382437971.db2.gz KVZSYEDXZVOJPC-UHFFFAOYSA-N 0 1 273.317 2.535 20 30 CFEDMN N#Cc1ccc(CN2CC[C@H](Oc3ccccn3)C2)s1 ZINC000378347551 382444324 /nfs/dbraw/zinc/44/43/24/382444324.db2.gz VSNSMJPNDYUDFY-LBPRGKRZSA-N 0 1 285.372 2.668 20 30 CFEDMN C=CCN(C)[C@H]1CCCN(Cc2ccc(F)cc2F)C1=O ZINC000346569046 382417814 /nfs/dbraw/zinc/41/78/14/382417814.db2.gz LJLXHODMRIFBJL-HNNXBMFYSA-N 0 1 294.345 2.574 20 30 CFEDMN CC(C)[C@@](C)(O)CN1C[C@@H](c2ccccc2)[C@H](C#N)C1 ZINC000366498963 382521049 /nfs/dbraw/zinc/52/10/49/382521049.db2.gz VKKBZYQBFKUFTP-IKGGRYGDSA-N 0 1 272.392 2.633 20 30 CFEDMN C=CCCCCN[C@H](C)c1ncc(C(=O)OC)s1 ZINC000314609367 382525974 /nfs/dbraw/zinc/52/59/74/382525974.db2.gz FHBHZIFIUYEBGV-SNVBAGLBSA-N 0 1 268.382 2.937 20 30 CFEDMN C[C@H](c1ccccc1F)N1CCC(n2cnc(C#N)n2)CC1 ZINC000366391977 382503428 /nfs/dbraw/zinc/50/34/28/382503428.db2.gz MOBCIEPBHQANKR-GFCCVEGCSA-N 0 1 299.353 2.687 20 30 CFEDMN C=CCNC(=O)CN(C(C)C)[C@H](C)c1ccsc1 ZINC000421010421 382504261 /nfs/dbraw/zinc/50/42/61/382504261.db2.gz OHRYOBWTWSKPID-GFCCVEGCSA-N 0 1 266.410 2.822 20 30 CFEDMN C=CC(C)(C)C(=O)NC[C@H](c1ccco1)N1CCCC1 ZINC000294322479 382509667 /nfs/dbraw/zinc/50/96/67/382509667.db2.gz KBLXGGUJROMRGF-CYBMUJFWSA-N 0 1 276.380 2.745 20 30 CFEDMN CC(=O)Nc1ccn([C@@H]2CCN([C@@H](C)c3ccccn3)C2)n1 ZINC000328617207 382554482 /nfs/dbraw/zinc/55/44/82/382554482.db2.gz CLVVUEUENNUNJG-GXTWGEPZSA-N 0 1 299.378 2.894 20 30 CFEDMN CN1CCCC[C@H]1C(=O)NC[C@H]1CCO[C@@H]1C(C)(C)C ZINC000328614087 382554855 /nfs/dbraw/zinc/55/48/55/382554855.db2.gz VGANXMRHTUCOQL-RDBSUJKOSA-N 0 1 282.428 2.878 20 30 CFEDMN CC[C@@H](CC#N)N[C@H](C)CC(=O)Nc1cccc(OC)c1 ZINC000358305146 382559222 /nfs/dbraw/zinc/55/92/22/382559222.db2.gz XMITWGVQNXUTIA-OLZOCXBDSA-N 0 1 289.379 2.694 20 30 CFEDMN O=C(NC1(c2nnc[nH]2)CCC1)[C@@H]1CCCC(F)(F)C1 ZINC000328653709 382559644 /nfs/dbraw/zinc/55/96/44/382559644.db2.gz LGAQVOQNSPSGDN-SECBINFHSA-N 0 1 284.310 2.966 20 30 CFEDMN CCN(Cc1ccnc(OC)n1)[C@H](C)c1ccc(C#N)cc1 ZINC000295007353 382560790 /nfs/dbraw/zinc/56/07/90/382560790.db2.gz ZATJORLTLZILIV-CYBMUJFWSA-N 0 1 296.374 2.940 20 30 CFEDMN Cc1cc(C(=O)C(C#N)c2ccncn2)c(C)s1 ZINC000680617237 542342828 /nfs/dbraw/zinc/34/28/28/542342828.db2.gz JVABKWYMYMHNCC-NSHDSACASA-N 0 1 257.318 2.645 20 30 CFEDMN Cc1cc(C(=O)[C@@H](C#N)c2ccncn2)c(C)s1 ZINC000680617237 542342832 /nfs/dbraw/zinc/34/28/32/542342832.db2.gz JVABKWYMYMHNCC-NSHDSACASA-N 0 1 257.318 2.645 20 30 CFEDMN Cc1cc(C(=O)C(C#N)c2ccncn2)c(C)s1 ZINC000680617236 542343215 /nfs/dbraw/zinc/34/32/15/542343215.db2.gz JVABKWYMYMHNCC-LLVKDONJSA-N 0 1 257.318 2.645 20 30 CFEDMN Cc1cc(C(=O)[C@H](C#N)c2ccncn2)c(C)s1 ZINC000680617236 542343220 /nfs/dbraw/zinc/34/32/20/542343220.db2.gz JVABKWYMYMHNCC-LLVKDONJSA-N 0 1 257.318 2.645 20 30 CFEDMN CO[C@H]1CN(Cc2cc(C#N)ccc2F)CC[C@H]1C ZINC000189264034 382577304 /nfs/dbraw/zinc/57/73/04/382577304.db2.gz YNBLECUXMCIOGG-ABAIWWIYSA-N 0 1 262.328 2.554 20 30 CFEDMN C=CCC[C@@H](CO)NCc1csc(-c2ccccn2)n1 ZINC000320252234 382537397 /nfs/dbraw/zinc/53/73/97/382537397.db2.gz IKQSGYDMAVCFAG-LBPRGKRZSA-N 0 1 289.404 2.622 20 30 CFEDMN C=CC[C@@H](C(=O)N[C@H]1CCc2nc[nH]c2C1)c1ccccc1 ZINC000358371185 382592941 /nfs/dbraw/zinc/59/29/41/382592941.db2.gz BMDDJXTUOIZJBU-LSDHHAIUSA-N 0 1 295.386 2.743 20 30 CFEDMN CCCN1C(=O)N=NC1SCC#Cc1ccccc1 ZINC000358377439 382594264 /nfs/dbraw/zinc/59/42/64/382594264.db2.gz IVDBPWSKJCRPLQ-UHFFFAOYSA-N 0 1 273.361 2.538 20 30 CFEDMN C[C@@H]1CCN(Cc2cnc3ccc(C#N)cn23)CCS1 ZINC000190689409 382677995 /nfs/dbraw/zinc/67/79/95/382677995.db2.gz YXXUSXQRTWBZRJ-GFCCVEGCSA-N 0 1 286.404 2.533 20 30 CFEDMN COc1ccccc1C(C)(C)NCc1cc(C#N)n(C)c1 ZINC000190947006 382685979 /nfs/dbraw/zinc/68/59/79/382685979.db2.gz YGCFPWWYDPDXPT-UHFFFAOYSA-N 0 1 283.375 2.930 20 30 CFEDMN C[C@H](NCCCCC(C)(C)C#N)c1csnn1 ZINC000398345237 382635818 /nfs/dbraw/zinc/63/58/18/382635818.db2.gz UCVZHCCUSCKQKA-JTQLQIEISA-N 0 1 252.387 2.909 20 30 CFEDMN C[C@@H]1CC(O)C[C@@H](C)N1CC#Cc1cccc(Cl)c1 ZINC000191149560 382693213 /nfs/dbraw/zinc/69/32/13/382693213.db2.gz FRRSIXDEWRSTSS-CHWSQXEVSA-N 0 1 277.795 2.925 20 30 CFEDMN C=C(C)CN(CC)[C@H]1CCc2ccccc2NC1=O ZINC000191910339 382703217 /nfs/dbraw/zinc/70/32/17/382703217.db2.gz QTKHSYZPVVRSFT-HNNXBMFYSA-N 0 1 258.365 2.838 20 30 CFEDMN CCCCNC(=O)[C@H]1CCCN(CC#Cc2ccccc2)C1 ZINC000191974711 382703840 /nfs/dbraw/zinc/70/38/40/382703840.db2.gz BROSZYNKFOAZAV-SFHVURJKSA-N 0 1 298.430 2.666 20 30 CFEDMN C#CCCCC(=O)NC[C@H](c1ccc(C)o1)N1CCCC1 ZINC000192014790 382704231 /nfs/dbraw/zinc/70/42/31/382704231.db2.gz QPLUFMPGQDWLAW-OAHLLOKOSA-N 0 1 288.391 2.645 20 30 CFEDMN C#CCCCC(=O)N(C)[C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000192365116 382707832 /nfs/dbraw/zinc/70/78/32/382707832.db2.gz MSXBSKSPUGEJOC-GOSISDBHSA-N 0 1 298.430 2.913 20 30 CFEDMN COc1cc(CNCc2ccc3c(c2)OCO3)ccc1C#N ZINC000336863551 382736392 /nfs/dbraw/zinc/73/63/92/382736392.db2.gz ONVNRABUSWUYSO-UHFFFAOYSA-N 0 1 296.326 2.585 20 30 CFEDMN C=CCN1CC[C@@H](N(C)CCSC2CCCCC2)C1=O ZINC000337445302 382822303 /nfs/dbraw/zinc/82/23/03/382822303.db2.gz BWLAROXFIOINKI-OAHLLOKOSA-N 0 1 296.480 2.771 20 30 CFEDMN N#Cc1ccc([C@@H](O)C[N@H+]2CCC[C@@H](C(F)(F)F)C2)cc1 ZINC000227817754 382841336 /nfs/dbraw/zinc/84/13/36/382841336.db2.gz ZHDHHKKSXDYNST-KGLIPLIRSA-N 0 1 298.308 2.866 20 30 CFEDMN N#Cc1ccc([C@@H](O)CN2CCC[C@@H](C(F)(F)F)C2)cc1 ZINC000227817754 382841337 /nfs/dbraw/zinc/84/13/37/382841337.db2.gz ZHDHHKKSXDYNST-KGLIPLIRSA-N 0 1 298.308 2.866 20 30 CFEDMN C=CCN1CCN(Cc2ccccc2OCC)C[C@@H]1C ZINC000441330635 382907926 /nfs/dbraw/zinc/90/79/26/382907926.db2.gz MGKNTERXLCAGED-HNNXBMFYSA-N 0 1 274.408 2.777 20 30 CFEDMN Cc1c(CN(C)[C@@H](C)c2ccc(C#N)cc2)cnn1C ZINC000577542586 382862832 /nfs/dbraw/zinc/86/28/32/382862832.db2.gz RVEGTFQLPUKLGX-LBPRGKRZSA-N 0 1 268.364 2.793 20 30 CFEDMN COC(=O)c1cccc(CN2C[C@H](C)[C@H](C)[C@@H]2C)c1C#N ZINC000577833474 382871886 /nfs/dbraw/zinc/87/18/86/382871886.db2.gz SAGVGNCORHGLSF-AVGNSLFASA-N 0 1 286.375 2.821 20 30 CFEDMN COc1cncc(/C=C\CCN(C)[C@@H](C)CC#N)c1 ZINC000578128910 382894340 /nfs/dbraw/zinc/89/43/40/382894340.db2.gz IFIAWOLXRRDTQH-AGLBCWCQSA-N 0 1 259.353 2.727 20 30 CFEDMN C=C[C@](C)(CC)C(=O)N1CCC(c2cnc[nH]2)CC1 ZINC000442659228 382943228 /nfs/dbraw/zinc/94/32/28/382943228.db2.gz XZOPAGWKIMTOQB-OAHLLOKOSA-N 0 1 261.369 2.718 20 30 CFEDMN COc1ccc(-n2ccc(CN[C@H]3CC[C@H](C#N)C3)n2)cc1 ZINC000442798981 382957508 /nfs/dbraw/zinc/95/75/08/382957508.db2.gz XPTAXTBXKJMQIX-KBPBESRZSA-N 0 1 296.374 2.663 20 30 CFEDMN C=CCn1cccc1C(=O)N1CCC[C@H](c2cc(C)[nH]n2)C1 ZINC000338154278 382936182 /nfs/dbraw/zinc/93/61/82/382936182.db2.gz IYUAULLZPODQDA-AWEZNQCLSA-N 0 1 298.390 2.725 20 30 CFEDMN COC(=O)C(C)(C)N(C)CCCCC(C)(C)C#N ZINC000444667268 382975808 /nfs/dbraw/zinc/97/58/08/382975808.db2.gz STAURDBYFMRWNT-UHFFFAOYSA-N 0 1 254.374 2.590 20 30 CFEDMN C=CCN(CC=C)C(=O)C[N@@H+]1CCC[C@H](C(C)C)C1 ZINC000444754596 382979544 /nfs/dbraw/zinc/97/95/44/382979544.db2.gz UKXWRUOPELPIIT-HNNXBMFYSA-N 0 1 264.413 2.555 20 30 CFEDMN CC(C)(C)OC(=O)NC(C)(C)CN1CCC(C)(C#N)CC1 ZINC000495433734 382987704 /nfs/dbraw/zinc/98/77/04/382987704.db2.gz JEIJELSSMNTVAG-UHFFFAOYSA-N 0 1 295.427 2.915 20 30 CFEDMN CN(CC#Cc1ccc(F)cc1)[C@@H](CO)c1ccccc1 ZINC000446844411 382992972 /nfs/dbraw/zinc/99/29/72/382992972.db2.gz GXYPQJCGKYKSQA-SFHVURJKSA-N 0 1 283.346 2.843 20 30 CFEDMN CN(C)Cc1ccsc1C(=O)NCC#Cc1ccccc1 ZINC000446963285 382993722 /nfs/dbraw/zinc/99/37/22/382993722.db2.gz WLZKCHZULBDNLF-UHFFFAOYSA-N 0 1 298.411 2.591 20 30 CFEDMN COC(=O)c1cccc(CN(C)C(C)(C)C)c1C#N ZINC000579349140 383006105 /nfs/dbraw/zinc/00/61/05/383006105.db2.gz DHZAMUNKGGMGOQ-UHFFFAOYSA-N 0 1 260.337 2.575 20 30 CFEDMN C=C(C)C[C@@H](C)C(=O)N=c1cc(-c2ccc(C)o2)[nH][nH]1 ZINC000447798881 383006870 /nfs/dbraw/zinc/00/68/70/383006870.db2.gz BUHVQAFVGONFPP-SNVBAGLBSA-N 0 1 273.336 2.941 20 30 CFEDMN COC(=O)c1ccc([C@@H](C)N2CCC(CC#N)CC2)o1 ZINC000541952047 382967497 /nfs/dbraw/zinc/96/74/97/382967497.db2.gz NABHPCLEPGRCAW-LLVKDONJSA-N 0 1 276.336 2.753 20 30 CFEDMN C[C@@H](NC(=O)[C@@H](C)N1CCC(CC#N)CC1)c1ccccc1 ZINC000541949657 382967552 /nfs/dbraw/zinc/96/75/52/382967552.db2.gz ZTSXXAFTCYXDND-HUUCEWRRSA-N 0 1 299.418 2.878 20 30 CFEDMN C[C@@H]([C@@H]1Cc2ccccc2O1)N(C)Cc1ccc(C#N)cn1 ZINC000579727683 383047683 /nfs/dbraw/zinc/04/76/83/383047683.db2.gz UKDMZTZGZWORLC-UGSOOPFHSA-N 0 1 293.370 2.777 20 30 CFEDMN C[C@H](NC[C@@H](C#N)CCC#N)[C@@H]1COc2ccccc21 ZINC000246203306 383067067 /nfs/dbraw/zinc/06/70/67/383067067.db2.gz DUPLZYQXVHIVPB-GUTXKFCHSA-N 0 1 269.348 2.584 20 30 CFEDMN C=CCC[C@H](O)C[N@H+]1C[C@@H](C2CCCCC2)C[C@H]1C(=O)[O-] ZINC000579497164 383025108 /nfs/dbraw/zinc/02/51/08/383025108.db2.gz JKARMQSBGVBZMA-JYJNAYRXSA-N 0 1 295.423 2.669 20 30 CFEDMN C[C@H]1CCN(Cc2ccc(C#N)s2)C[C@H]1n1ccnc1 ZINC000246911364 383119851 /nfs/dbraw/zinc/11/98/51/383119851.db2.gz UREMXVMKLOSTAE-SWLSCSKDSA-N 0 1 286.404 2.899 20 30 CFEDMN COc1cc(CNCc2n[nH]c3ccccc32)ccc1C#N ZINC000589324909 383119963 /nfs/dbraw/zinc/11/99/63/383119963.db2.gz DSPCJQAZIPWYTN-UHFFFAOYSA-N 0 1 292.342 2.733 20 30 CFEDMN Cc1n[nH]c(C(C)C)c1C(=O)N1CCC[C@H](CC#N)C1 ZINC000597905565 383129379 /nfs/dbraw/zinc/12/93/79/383129379.db2.gz GAOMLPUQWYZPEF-GFCCVEGCSA-N 0 1 274.368 2.607 20 30 CFEDMN CCNC(=O)C(C#N)c1nc(-c2ccc(C)cc2)cs1 ZINC000505467352 383141759 /nfs/dbraw/zinc/14/17/59/383141759.db2.gz MWZWWKSMJHENAM-GFCCVEGCSA-N 0 1 285.372 2.862 20 30 CFEDMN CN(CC(=O)Nc1cc(Cl)ccc1C#N)C(C)(C)C ZINC000584349228 383097220 /nfs/dbraw/zinc/09/72/20/383097220.db2.gz JQFLGYDVKMCJJB-UHFFFAOYSA-N 0 1 279.771 2.880 20 30 CFEDMN N#CCCCN1CCCC[C@@H]1COC(=O)NC1CCCC1 ZINC000496499946 383108905 /nfs/dbraw/zinc/10/89/05/383108905.db2.gz MLXHEPKZYVGNIS-OAHLLOKOSA-N 0 1 293.411 2.813 20 30 CFEDMN N#C[C@@H]1CN(C[C@@H]2CCCC[C@@H]2O)C[C@H]1c1ccccc1 ZINC000565049485 383175833 /nfs/dbraw/zinc/17/58/33/383175833.db2.gz QTSQBYONKSBRLL-MHORFTMASA-N 0 1 284.403 2.777 20 30 CFEDMN C=CCOCCN1CCN(c2cccc(F)c2)C[C@H]1C ZINC000339208804 383184320 /nfs/dbraw/zinc/18/43/20/383184320.db2.gz FGAUDNCZHZEWLA-CQSZACIVSA-N 0 1 278.371 2.539 20 30 CFEDMN C[C@H](Cc1ccccc1[N+](=O)[O-])N[C@H]1CCC[C@H]1C#N ZINC000449239436 383185764 /nfs/dbraw/zinc/18/57/64/383185764.db2.gz JMCDCTVIAPVGHV-XBFCOCLRSA-N 0 1 273.336 2.808 20 30 CFEDMN C=CCN(C[C@@H](C)c1ccc(S(C)(=O)=O)cc1)C1CC1 ZINC000449238868 383186223 /nfs/dbraw/zinc/18/62/23/383186223.db2.gz TWRDRZNRFSMGQQ-CYBMUJFWSA-N 0 1 293.432 2.844 20 30 CFEDMN C=CCOCC[N@@H+]1C[C@H](C2CCCCC2)C[C@@H]1C(=O)[O-] ZINC000566510409 383187843 /nfs/dbraw/zinc/18/78/43/383187843.db2.gz QPIXOCRQRNMMGV-HUUCEWRRSA-N 0 1 281.396 2.544 20 30 CFEDMN C=CCN(Cc1ccccc1F)C(=O)c1cnc(C)[nH]1 ZINC000339266707 383188246 /nfs/dbraw/zinc/18/82/46/383188246.db2.gz YQZDFWIXMXBBOP-UHFFFAOYSA-N 0 1 273.311 2.686 20 30 CFEDMN N#CCCCNCc1conc1Cc1ccccc1 ZINC000339343212 383191355 /nfs/dbraw/zinc/19/13/55/383191355.db2.gz JRELYMLBUFIGTE-UHFFFAOYSA-N 0 1 255.321 2.659 20 30 CFEDMN CC1(CN2CCN([C@H](C#N)c3ccccc3)CC2)CC1 ZINC000562361054 383156814 /nfs/dbraw/zinc/15/68/14/383156814.db2.gz GHNRYOFBYGXZRY-MRXNPFEDSA-N 0 1 269.392 2.669 20 30 CFEDMN CC(C)CCN(CCC#N)C[C@H]1CCCC[C@H]1O ZINC000562478449 383158664 /nfs/dbraw/zinc/15/86/64/383158664.db2.gz HKJLGSLJSLNTKQ-HUUCEWRRSA-N 0 1 252.402 2.799 20 30 CFEDMN C=CCCCCN1CCN(C(=O)c2ccccc2O)CC1 ZINC000562695103 383162088 /nfs/dbraw/zinc/16/20/88/383162088.db2.gz GPYDRULOOOBORA-UHFFFAOYSA-N 0 1 288.391 2.506 20 30 CFEDMN CCOC(=O)[C@H](CC(C)C)N1CCC(CCC#N)CC1 ZINC000563067578 383165500 /nfs/dbraw/zinc/16/55/00/383165500.db2.gz HMXPRUALMOEPDN-HNNXBMFYSA-N 0 1 280.412 2.980 20 30 CFEDMN C=CCOc1ccccc1CNCc1n[nH]c(C2CC2)n1 ZINC000449404836 383269254 /nfs/dbraw/zinc/26/92/54/383269254.db2.gz FWDJDXGXJSOKRM-UHFFFAOYSA-N 0 1 284.363 2.537 20 30 CFEDMN C[C@@H]1CCN(CC(=O)Nc2ccc(C#N)c(Cl)c2)[C@H]1C ZINC000248357000 383227570 /nfs/dbraw/zinc/22/75/70/383227570.db2.gz PAACLIKJNTYRDB-MNOVXSKESA-N 0 1 291.782 2.880 20 30 CFEDMN C=C(C)C(C)(C)C(=O)NCc1nc2ccc(F)cc2[nH]1 ZINC000424697553 383234355 /nfs/dbraw/zinc/23/43/55/383234355.db2.gz OSTVFKVGGGQLKM-UHFFFAOYSA-N 0 1 275.327 2.921 20 30 CFEDMN Cc1cc(CN[C@@H](CC(N)=O)c2ccccc2)ccc1C#N ZINC000339534104 383236243 /nfs/dbraw/zinc/23/62/43/383236243.db2.gz QHBSEUVYWUWNIE-KRWDZBQOSA-N 0 1 293.370 2.573 20 30 CFEDMN C=CCN(CC=C)C(=O)[C@H](C)N[C@H](C)c1cnc(C)s1 ZINC000634577886 383243170 /nfs/dbraw/zinc/24/31/70/383243170.db2.gz VHORMYIXUFASPN-NEPJUHHUSA-N 0 1 293.436 2.691 20 30 CFEDMN C=CCN(Cc1cccs1)C(=O)[C@H](C)N1C[C@H](C)[C@H]1C ZINC000339563729 383244394 /nfs/dbraw/zinc/24/43/94/383244394.db2.gz ZWMCEJHZDBPSFA-MJBXVCDLSA-N 0 1 292.448 2.991 20 30 CFEDMN C=CCN(Cc1cccs1)C(=O)[C@H](C)N1C[C@@H](C)[C@@H]1C ZINC000339563730 383244550 /nfs/dbraw/zinc/24/45/50/383244550.db2.gz ZWMCEJHZDBPSFA-RDBSUJKOSA-N 0 1 292.448 2.991 20 30 CFEDMN Cc1nc2c(n1Cc1ccc(C#N)cc1[N+](=O)[O-])CCCC2 ZINC000567124238 383244886 /nfs/dbraw/zinc/24/48/86/383244886.db2.gz DAWBFEOBECQVMP-UHFFFAOYSA-N 0 1 296.330 2.899 20 30 CFEDMN CCO[C@@H]1CCN(Cc2ccccc2C#N)C[C@@H]1C ZINC000449497025 383334507 /nfs/dbraw/zinc/33/45/07/383334507.db2.gz JWSSBUJWTAAIHM-XJKSGUPXSA-N 0 1 258.365 2.805 20 30 CFEDMN C[C@H](NC(=O)c1ccc2cncn2c1)c1ccc(C#N)cc1 ZINC000339851580 383339603 /nfs/dbraw/zinc/33/96/03/383339603.db2.gz USVAGNBLFSPCBM-LBPRGKRZSA-N 0 1 290.326 2.697 20 30 CFEDMN Cc1nc([C@H](N[C@@H]2CCC[C@@H](C#N)C2)c2ccccc2)n[nH]1 ZINC000248744208 383287146 /nfs/dbraw/zinc/28/71/46/383287146.db2.gz APEXIBPAGHWFLQ-FVQBIDKESA-N 0 1 295.390 2.875 20 30 CFEDMN CC(C)C1(NCc2c(C#N)cccc2[N+](=O)[O-])CC1 ZINC000459484163 383289160 /nfs/dbraw/zinc/28/91/60/383289160.db2.gz GKKRWNBDHUBRLU-UHFFFAOYSA-N 0 1 259.309 2.745 20 30 CFEDMN C[C@@H]1CCN(Cc2ccc(C#N)c(F)c2)C[C@H]1n1ccnc1 ZINC000248911692 383307726 /nfs/dbraw/zinc/30/77/26/383307726.db2.gz YDZKTOAMDDDMQG-CXAGYDPISA-N 0 1 298.365 2.977 20 30 CFEDMN CCC[C@H](C)NC(=O)[C@H]1CCCN(CC2(C#N)CCC2)C1 ZINC000450325273 383390637 /nfs/dbraw/zinc/39/06/37/383390637.db2.gz TVDANADCGRDLFK-GJZGRUSLSA-N 0 1 291.439 2.697 20 30 CFEDMN C=C[C@H]1CCCCN1Cc1cc2c(c(OC)c1)OCO2 ZINC000426550769 383405825 /nfs/dbraw/zinc/40/58/25/383405825.db2.gz CUXMLBAIXKLRCO-ZDUSSCGKSA-N 0 1 275.348 2.964 20 30 CFEDMN CCC(=O)N1CCCN([C@H](C)c2cccc(C#N)c2)CC1 ZINC000525949084 383410986 /nfs/dbraw/zinc/41/09/86/383410986.db2.gz RPMDDVQIKQTNFI-CQSZACIVSA-N 0 1 285.391 2.564 20 30 CFEDMN C=CCCC[N@@H+](CC(=O)[O-])Cc1cc(OC)cc(OC)c1 ZINC000568098687 383358594 /nfs/dbraw/zinc/35/85/94/383358594.db2.gz OCGXBYXPXRFBGX-UHFFFAOYSA-N 0 1 293.363 2.557 20 30 CFEDMN C=CCC1(C(=O)NCCCc2cn[nH]c2C)CCCC1 ZINC000449836121 383367900 /nfs/dbraw/zinc/36/79/00/383367900.db2.gz RTGKKHCBDACVLF-UHFFFAOYSA-N 0 1 275.396 2.903 20 30 CFEDMN N#Cc1cccc(CN[C@@H](c2cccs2)c2nnc[nH]2)c1 ZINC000340173986 383368310 /nfs/dbraw/zinc/36/83/10/383368310.db2.gz XVUPTDWCKQGGPQ-AWEZNQCLSA-N 0 1 295.371 2.617 20 30 CFEDMN CO[C@@H](C)CN(Cc1cccc(F)c1C#N)C(C)C ZINC000428232044 383431774 /nfs/dbraw/zinc/43/17/74/383431774.db2.gz SXRMXEFIQUBVBU-LBPRGKRZSA-N 0 1 264.344 2.943 20 30 CFEDMN N#CC1(CN[C@H]2Cc3[nH]c4ccccc4c3C2)CC1 ZINC000569103959 383467136 /nfs/dbraw/zinc/46/71/36/383467136.db2.gz OEOWAZVSLZMWOI-LLVKDONJSA-N 0 1 251.333 2.528 20 30 CFEDMN CC#CCCNC(=O)c1cn[nH]c1-c1ccc(Cl)s1 ZINC000428026709 383420262 /nfs/dbraw/zinc/42/02/62/383420262.db2.gz FAUSNSMCAWSOJS-UHFFFAOYSA-N 0 1 293.779 2.935 20 30 CFEDMN C=CC(C)(C)C(=O)NCCN1CC=C(C(C)(C)C)CC1 ZINC000450736637 383485055 /nfs/dbraw/zinc/48/50/55/383485055.db2.gz GLSOZYQZPVYRQI-UHFFFAOYSA-N 0 1 278.440 2.993 20 30 CFEDMN Cc1cc(CN[C@@H](C)c2cccc(C#N)c2)nc(C)n1 ZINC000340616309 383489053 /nfs/dbraw/zinc/48/90/53/383489053.db2.gz ASGOTWANFKIUCJ-LBPRGKRZSA-N 0 1 266.348 2.816 20 30 CFEDMN Cc1cc(CN2CCOC(C)(C)[C@H]2C)ccc1C#N ZINC000488204840 383505849 /nfs/dbraw/zinc/50/58/49/383505849.db2.gz RTYREAJHOCRINU-CYBMUJFWSA-N 0 1 258.365 2.866 20 30 CFEDMN Cc1c([C@@H](C)NCc2ccc(C#N)c(C)c2)cnn1C ZINC000488263147 383509348 /nfs/dbraw/zinc/50/93/48/383509348.db2.gz KZMBGVWEIWALKK-GFCCVEGCSA-N 0 1 268.364 2.759 20 30 CFEDMN N#Cc1c(F)cccc1CN[C@@H](CO)C1CCCCC1 ZINC000569587810 383516871 /nfs/dbraw/zinc/51/68/71/383516871.db2.gz PWADUTKIYLKZCK-INIZCTEOSA-N 0 1 276.355 2.728 20 30 CFEDMN COCCC1CCN(Cc2ccc(C#N)cc2F)CC1 ZINC000528574341 383581955 /nfs/dbraw/zinc/58/19/55/383581955.db2.gz QIGMILULKDTHNA-UHFFFAOYSA-N 0 1 276.355 2.946 20 30 CFEDMN N#Cc1c(F)cccc1CN1CCC[C@@H]1[C@H]1CCC[C@H]1O ZINC000451415658 383610364 /nfs/dbraw/zinc/61/03/64/383610364.db2.gz FOTFAMJDKMVJTE-KBRIMQKVSA-N 0 1 288.366 2.823 20 30 CFEDMN Cc1cc(CN2CCC[C@H]2c2ccc(=O)[nH]n2)ccc1C#N ZINC000528785254 383637309 /nfs/dbraw/zinc/63/73/09/383637309.db2.gz BLJZXOHTLQDGOR-INIZCTEOSA-N 0 1 294.358 2.699 20 30 CFEDMN C=CC[N@H+](Cc1ccc(OC)cc1)[C@@H](C(=O)[O-])C1CC1 ZINC000570638750 383621348 /nfs/dbraw/zinc/62/13/48/383621348.db2.gz FUNDZZJYYCTXOM-OAHLLOKOSA-N 0 1 275.348 2.546 20 30 CFEDMN C=CCNC(=O)CN1CC[C@@H](c2cccc(F)c2)C1(C)C ZINC000528770306 383632574 /nfs/dbraw/zinc/63/25/74/383632574.db2.gz QEVZBDAWGWZCAI-HNNXBMFYSA-N 0 1 290.382 2.696 20 30 CFEDMN C[C@H]1CC(F)(F)CCN1C[C@H](O)c1ccc(C#N)cc1 ZINC000528771559 383632793 /nfs/dbraw/zinc/63/27/93/383632793.db2.gz XXBOVEWAZRZMPU-FZMZJTMJSA-N 0 1 280.318 2.711 20 30 CFEDMN CCO[C@@H]1CCN(Cc2cc(C#N)ccc2F)C[C@H]1C ZINC000451525964 383634663 /nfs/dbraw/zinc/63/46/63/383634663.db2.gz MXMRFZBIPIYOMU-MLGOLLRUSA-N 0 1 276.355 2.944 20 30 CFEDMN Cc1oncc1CNC1(c2ccc(C#N)cc2)CCOCC1 ZINC000528778743 383636396 /nfs/dbraw/zinc/63/63/96/383636396.db2.gz MMPQGPSUDSFTHU-UHFFFAOYSA-N 0 1 297.358 2.650 20 30 CFEDMN N#CC(C(=O)Nc1ccccc1)C(=O)[C@H]1CCCC12CC2 ZINC000528917487 383676016 /nfs/dbraw/zinc/67/60/16/383676016.db2.gz GGPLZSUWNIKMOZ-ZIAGYGMSSA-N 0 1 282.343 2.914 20 30 CFEDMN N#CCC[C@H](C#N)CNCCc1nc2c(s1)CCCC2 ZINC000572065058 383751665 /nfs/dbraw/zinc/75/16/65/383751665.db2.gz KGAHGQWTEUIADG-GFCCVEGCSA-N 0 1 288.420 2.598 20 30 CFEDMN CC[C@@H]1CO[C@@H](C)CN1Cc1ccc(OCC#N)cc1 ZINC000264584701 383758431 /nfs/dbraw/zinc/75/84/31/383758431.db2.gz WZGMALWYDAGQRV-DZGCQCFKSA-N 0 1 274.364 2.588 20 30 CFEDMN COc1ccc(NC(=O)CCN(C)CC(C)(C)C#N)cc1 ZINC000433307573 383759385 /nfs/dbraw/zinc/75/93/85/383759385.db2.gz VHHYLZMDHAYQSQ-UHFFFAOYSA-N 0 1 289.379 2.505 20 30 CFEDMN CN(CCC(=O)NCC1CCCCC1)CC(C)(C)C#N ZINC000433311738 383760212 /nfs/dbraw/zinc/76/02/12/383760212.db2.gz ITTUVKYHFJHUMF-UHFFFAOYSA-N 0 1 279.428 2.555 20 30 CFEDMN N#C[C@@H]1CC[C@H](NCc2nc(-c3ccccc3)c[nH]2)C1 ZINC000572355148 383774966 /nfs/dbraw/zinc/77/49/66/383774966.db2.gz AOGJPHJMGXRAFF-OCCSQVGLSA-N 0 1 266.348 2.859 20 30 CFEDMN CCN(CCC(=O)Nc1cccc(F)c1C)C[C@@H](C)C#N ZINC000435678968 383777821 /nfs/dbraw/zinc/77/78/21/383777821.db2.gz URCGSELKTPVPET-LBPRGKRZSA-N 0 1 291.370 2.944 20 30 CFEDMN COc1ccc([C@@H](NCc2ccc(C#N)cn2)C2CC2)cn1 ZINC000528854974 383662719 /nfs/dbraw/zinc/66/27/19/383662719.db2.gz XEOPZMDESRQHMX-KRWDZBQOSA-N 0 1 294.358 2.598 20 30 CFEDMN Cc1oc(C#N)cc1C(=O)NCc1nc2cccc(C)c2[nH]1 ZINC000436161837 383784039 /nfs/dbraw/zinc/78/40/39/383784039.db2.gz LTBPDTZWVCSUAS-UHFFFAOYSA-N 0 1 294.314 2.574 20 30 CFEDMN C=CCCC(C)(C)CNC(=O)NCc1cn[nH]c1C ZINC000636584359 383846601 /nfs/dbraw/zinc/84/66/01/383846601.db2.gz ZRCCUUQODILNEU-UHFFFAOYSA-N 0 1 264.373 2.510 20 30 CFEDMN CC1=C[C@@H](C)CN(Cc2ccc(C#N)cc2[N+](=O)[O-])C1 ZINC000573123400 383877097 /nfs/dbraw/zinc/87/70/97/383877097.db2.gz GWXOLVBBOACXPI-LLVKDONJSA-N 0 1 271.320 2.864 20 30 CFEDMN C=CCC(C)(C)CNC(=O)Nc1cc(CN(C)C)ccn1 ZINC000640573005 383833792 /nfs/dbraw/zinc/83/37/92/383833792.db2.gz WREBMCFHSHDFQQ-UHFFFAOYSA-N 0 1 290.411 2.867 20 30 CFEDMN C=CC(C)(C)CCNC(=O)NCc1n[nH]c(C(C)(C)C)n1 ZINC000637213202 383988571 /nfs/dbraw/zinc/98/85/71/383988571.db2.gz KUHGUBRFLIMZSO-UHFFFAOYSA-N 0 1 293.415 2.504 20 30 CFEDMN CC#CCCCC(=O)Nc1c(=O)[nH][nH]c1-c1ccccc1 ZINC000646463095 384003048 /nfs/dbraw/zinc/00/30/48/384003048.db2.gz MOXFSODODNJFBV-UHFFFAOYSA-N 0 1 283.331 2.914 20 30 CFEDMN N#Cc1c2c(cnc1N[C@@H]1CCCc3cn[nH]c31)CCC2 ZINC000573598780 383958981 /nfs/dbraw/zinc/95/89/81/383958981.db2.gz HOSAZFITJYIEIO-CQSZACIVSA-N 0 1 279.347 2.655 20 30 CFEDMN N#CCC[C@H](C#N)CNCC1(CO)CC(c2ccccc2)C1 ZINC000573684531 383972460 /nfs/dbraw/zinc/97/24/60/383972460.db2.gz YKLMIPQNJLLYBN-FAEJEUNOSA-N 0 1 297.402 2.576 20 30 CFEDMN CC(C)(NCc1cnc2c(C#N)cnn2c1)c1cccs1 ZINC000573685159 383972492 /nfs/dbraw/zinc/97/24/92/383972492.db2.gz WPKXFUZTQKPFTK-UHFFFAOYSA-N 0 1 297.387 2.687 20 30 CFEDMN Cc1cc(C(=O)C(C#N)c2cc(C)nc(C)n2)oc1C ZINC000532622824 384053559 /nfs/dbraw/zinc/05/35/59/384053559.db2.gz DTGSTANGLKBZBX-GFCCVEGCSA-N 0 1 269.304 2.793 20 30 CFEDMN Cc1cc(C(=O)[C@H](C#N)c2cc(C)nc(C)n2)oc1C ZINC000532622824 384053564 /nfs/dbraw/zinc/05/35/64/384053564.db2.gz DTGSTANGLKBZBX-GFCCVEGCSA-N 0 1 269.304 2.793 20 30 CFEDMN C=CCCCCCNC(=O)[C@@H](N)Cc1c[nH]c2ccccc12 ZINC000574172896 384057123 /nfs/dbraw/zinc/05/71/23/384057123.db2.gz YPLQTYOFNWHTFR-INIZCTEOSA-N 0 1 299.418 2.900 20 30 CFEDMN CCC#C[C@@H](C)N1CC[C@@H](OCc2c(C)noc2C)C1 ZINC000680819736 542368390 /nfs/dbraw/zinc/36/83/90/542368390.db2.gz AOVFRUQPKYMHTN-IUODEOHRSA-N 0 1 276.380 2.684 20 30 CFEDMN CC[C@@H](C)c1nc([C@H](C)Nc2ccc(C#N)cn2)n[nH]1 ZINC000277462469 384307879 /nfs/dbraw/zinc/30/78/79/384307879.db2.gz QPMNHBKXGJHJMA-ZJUUUORDSA-N 0 1 270.340 2.758 20 30 CFEDMN C=CCOc1ccccc1CN[C@@H](CO)CC(F)(F)F ZINC000641744767 384309618 /nfs/dbraw/zinc/30/96/18/384309618.db2.gz LMBKPZMIKIFGCQ-GFCCVEGCSA-N 0 1 289.297 2.654 20 30 CFEDMN C=CCCCCCN(C)C(=O)[C@@H](N)c1cccc(OC)c1 ZINC000638007026 384350058 /nfs/dbraw/zinc/35/00/58/384350058.db2.gz KJYPJAFTANYJMB-INIZCTEOSA-N 0 1 290.407 2.900 20 30 CFEDMN CC#CC[C@H](CO)NCc1ccc(F)c(Cl)c1Cl ZINC000641768135 384334497 /nfs/dbraw/zinc/33/44/97/384334497.db2.gz XCZILLMKFPBMRQ-SNVBAGLBSA-N 0 1 290.165 2.996 20 30 CFEDMN C#C[C@@H](NCc1cnc([C@@H]2CCCO2)s1)C(C)C ZINC000289399521 197328018 /nfs/dbraw/zinc/32/80/18/197328018.db2.gz ONIIPIJXHJBDMR-OLZOCXBDSA-N 0 1 264.394 2.742 20 30 CFEDMN C#C[C@@H](NCc1cnc([C@H]2CCCO2)s1)C(C)C ZINC000289399519 197328058 /nfs/dbraw/zinc/32/80/58/197328058.db2.gz ONIIPIJXHJBDMR-CHWSQXEVSA-N 0 1 264.394 2.742 20 30 CFEDMN C=CCN1CC[C@H](N(C)Cc2ccc(SC)cc2)C1=O ZINC000281143038 195121287 /nfs/dbraw/zinc/12/12/87/195121287.db2.gz DWTUXPZCDIMPDL-HNNXBMFYSA-N 0 1 290.432 2.627 20 30 CFEDMN C[C@@]1(NCc2ccccc2C#N)CCO[C@@H]1C1CC1 ZINC000374632764 220324688 /nfs/dbraw/zinc/32/46/88/220324688.db2.gz VFHKTUWIKJNYPJ-HZPDHXFCSA-N 0 1 256.349 2.605 20 30 CFEDMN C=C1CCN(C(=O)[C@H](N)c2ccc(C(F)(F)F)cc2)CC1 ZINC000638380930 384608207 /nfs/dbraw/zinc/60/82/07/384608207.db2.gz IBTJGMVHRUQSKG-CYBMUJFWSA-N 0 1 298.308 2.884 20 30 CFEDMN C[N@@H+](CCc1ccc(F)cc1)C[C@@H](O)c1ccc(C#N)cc1 ZINC000268634604 384642100 /nfs/dbraw/zinc/64/21/00/384642100.db2.gz QWLZWDDNGVVQNZ-GOSISDBHSA-N 0 1 298.361 2.905 20 30 CFEDMN C#CCOc1ccc(CN[C@H]2CCCc3c[nH]nc32)cc1 ZINC000268868448 384682810 /nfs/dbraw/zinc/68/28/10/384682810.db2.gz UMMLUVJSPYTHKR-INIZCTEOSA-N 0 1 281.359 2.589 20 30 CFEDMN C=C[C@@H](CC(=O)N1CCNC[C@@H]1C(C)C)c1ccccc1 ZINC000638492327 384695743 /nfs/dbraw/zinc/69/57/43/384695743.db2.gz NZEASBNOQHBFSP-DOTOQJQBSA-N 0 1 286.419 2.803 20 30 CFEDMN C=CCN1CC[C@H](N[C@H](C)c2cccc(Cl)c2)C1=O ZINC000281157040 195127740 /nfs/dbraw/zinc/12/77/40/195127740.db2.gz KFXLGLQOVOFBPO-RISCZKNCSA-N 0 1 278.783 2.778 20 30 CFEDMN C=C1CCN(C(=O)c2cc(-c3cccc(OC)c3)[nH]n2)CC1 ZINC000269011350 384710942 /nfs/dbraw/zinc/71/09/42/384710942.db2.gz NNKJFQNZOWKIAK-UHFFFAOYSA-N 0 1 297.358 2.878 20 30 CFEDMN N#Cc1cc(F)ccc1NC(=O)N[C@@H]1CCCc2cn[nH]c21 ZINC000269035324 384714979 /nfs/dbraw/zinc/71/49/79/384714979.db2.gz TWPQJVDPWSPMOH-CYBMUJFWSA-N 0 1 299.309 2.620 20 30 CFEDMN C=C(CNC(=O)N[C@@H](C)Cc1cc(C)[nH]n1)c1ccccc1 ZINC000289278414 197282802 /nfs/dbraw/zinc/28/28/02/197282802.db2.gz SJCZFUPKVQZSRS-ZDUSSCGKSA-N 0 1 298.390 2.662 20 30 CFEDMN C=CCCC(C)(C)CNC(=O)c1oc(CN)cc1C ZINC000638865477 384997900 /nfs/dbraw/zinc/99/79/00/384997900.db2.gz HYYCCZSDOJQGRN-UHFFFAOYSA-N 0 1 264.369 2.769 20 30 CFEDMN N#C[C@@H]1CC[C@@H]([NH+]2CCC(C(=O)c3ccc([O-])cc3)CC2)C1 ZINC000645092112 385182642 /nfs/dbraw/zinc/18/26/42/385182642.db2.gz JRMZIOVWNBQOLO-CZUORRHYSA-N 0 1 298.386 2.979 20 30 CFEDMN CC[C@@H]1CN(CC#Cc2ccc(F)cc2)CCCO1 ZINC000281494932 385198545 /nfs/dbraw/zinc/19/85/45/385198545.db2.gz TZYPUTUOZVSQMZ-MRXNPFEDSA-N 0 1 261.340 2.678 20 30 CFEDMN COc1cc([C@@H](C)NCC#Cc2ccccc2)ccn1 ZINC000347628354 533112639 /nfs/dbraw/zinc/11/26/39/533112639.db2.gz ITHOEMUFSGVILV-CQSZACIVSA-N 0 1 266.344 2.793 20 30 CFEDMN Cc1ccoc1CN(C)CCOc1cccc(C#N)c1 ZINC000271170275 385360304 /nfs/dbraw/zinc/36/03/04/385360304.db2.gz PRHIMVRNDZRLGR-UHFFFAOYSA-N 0 1 270.332 2.971 20 30 CFEDMN C=CC[C@@H](C)NC(=O)N1CCC[C@H](c2cc(C)[nH]n2)C1 ZINC000282899937 385408112 /nfs/dbraw/zinc/40/81/12/385408112.db2.gz XYCRRBIPOLLNRK-YPMHNXCESA-N 0 1 276.384 2.572 20 30 CFEDMN C=CCCC(C)(C)CNCc1cc(COC)on1 ZINC000639381149 385497625 /nfs/dbraw/zinc/49/76/25/385497625.db2.gz LSQIHDODOXBQMG-UHFFFAOYSA-N 0 1 252.358 2.903 20 30 CFEDMN C=CCN(CCc1ccco1)Cc1ccc(OC)cn1 ZINC000272286321 385498216 /nfs/dbraw/zinc/49/82/16/385498216.db2.gz NNTIUWNQEHRKMM-UHFFFAOYSA-N 0 1 272.348 2.914 20 30 CFEDMN C=CCCn1cc(CN(C)C[C@@H](C)C(C)(C)C)nn1 ZINC000639399350 385517297 /nfs/dbraw/zinc/51/72/97/385517297.db2.gz PEBCWMVCYDBBBB-CYBMUJFWSA-N 0 1 264.417 2.968 20 30 CFEDMN CN(Cc1ccccc1C#N)C[C@H]1CCCC[C@@H]1O ZINC000272594046 385572123 /nfs/dbraw/zinc/57/21/23/385572123.db2.gz UBRWQVKIYSDXGQ-CVEARBPZSA-N 0 1 258.365 2.541 20 30 CFEDMN C=CC[C@@H](C(=O)N[C@@H](C)c1n[nH]c(C)n1)c1ccccc1 ZINC000286445284 385622665 /nfs/dbraw/zinc/62/26/65/385622665.db2.gz ROGULVQNKFVUGD-SMDDNHRTSA-N 0 1 284.363 2.650 20 30 CFEDMN Cc1cc([C@@H]2CCCN(c3snc(C)c3C#N)C2)[nH]n1 ZINC000286454585 385625711 /nfs/dbraw/zinc/62/57/11/385625711.db2.gz NKDFZBIHZSELLT-LLVKDONJSA-N 0 1 287.392 2.739 20 30 CFEDMN C=CCS(=O)(=O)CCN[C@@H](C)c1cccc(C)c1C ZINC000272912565 385650251 /nfs/dbraw/zinc/65/02/51/385650251.db2.gz WVQNYTAANACUHW-AWEZNQCLSA-N 0 1 281.421 2.555 20 30 CFEDMN CN(C)[C@H](CNc1nc2ccccn2c1C#N)c1ccco1 ZINC000272932918 385659024 /nfs/dbraw/zinc/65/90/24/385659024.db2.gz TTXSELWDYRWZEZ-CYBMUJFWSA-N 0 1 295.346 2.514 20 30 CFEDMN N#CCCC[NH2+]Cc1cc(Br)ccc1[O-] ZINC000273115699 385671854 /nfs/dbraw/zinc/67/18/54/385671854.db2.gz YLXCLXOQVMKZDC-UHFFFAOYSA-N 0 1 269.142 2.548 20 30 CFEDMN C#CCN(Cc1cccc(C(=O)N2CCCCC2)c1)C1CC1 ZINC000274009696 385698005 /nfs/dbraw/zinc/69/80/05/385698005.db2.gz ALQHTUGFRCUZAC-UHFFFAOYSA-N 0 1 296.414 2.910 20 30 CFEDMN C=CCOc1ccccc1CNCc1c(C)cnn1C ZINC000286772885 385706249 /nfs/dbraw/zinc/70/62/49/385706249.db2.gz ZZHLEQIJZRZEPN-UHFFFAOYSA-N 0 1 271.364 2.583 20 30 CFEDMN COc1cnccc1[C@H](C)NC(=O)[C@@H]1CCCN1C1CC1 ZINC000330214563 533141682 /nfs/dbraw/zinc/14/16/82/533141682.db2.gz GGFJLPBVKDPDED-FZMZJTMJSA-N 0 1 289.379 2.735 20 30 CFEDMN C#CCN(Cc1cnc2c(cnn2C(C)C)c1)C1CC1 ZINC000274220263 385742559 /nfs/dbraw/zinc/74/25/59/385742559.db2.gz VCXINVSYJYCRHD-UHFFFAOYSA-N 0 1 268.364 2.610 20 30 CFEDMN C=CCC[C@@H](NCc1cnn(CCOC)c1)c1ccco1 ZINC000287281880 385818454 /nfs/dbraw/zinc/81/84/54/385818454.db2.gz CVRUWXRNRKVJQO-OAHLLOKOSA-N 0 1 289.379 2.920 20 30 CFEDMN C=CCCCCCN(C)C(=O)CCCCc1cn[nH]n1 ZINC000274419864 385794013 /nfs/dbraw/zinc/79/40/13/385794013.db2.gz XQHGYQIXIUDHQE-UHFFFAOYSA-N 0 1 278.400 2.722 20 30 CFEDMN C#Cc1cccc(NC(=O)CN(C)CCC(=C)C)c1 ZINC000274738771 385860943 /nfs/dbraw/zinc/86/09/43/385860943.db2.gz DSSIIVCFNCJHTM-UHFFFAOYSA-N 0 1 256.349 2.504 20 30 CFEDMN C=C(C)CCN1CCOC[C@@H]1C[C@H](O)c1ccccc1 ZINC000274792023 385872293 /nfs/dbraw/zinc/87/22/93/385872293.db2.gz OIHVBZXBVPJDJV-IRXDYDNUSA-N 0 1 275.392 2.777 20 30 CFEDMN CCC#C[C@@H](C)N1CCC([C@@](C)(O)C(F)(F)F)CC1 ZINC000681034740 542402719 /nfs/dbraw/zinc/40/27/19/542402719.db2.gz KVQLJCCRLVKEKG-DGCLKSJQSA-N 0 1 277.330 2.814 20 30 CFEDMN CCOC(=O)CC1CCN(CC#Cc2ccccc2)CC1 ZINC000276862356 386061865 /nfs/dbraw/zinc/06/18/65/386061865.db2.gz XCSVHUPPBJMZLG-UHFFFAOYSA-N 0 1 285.387 2.703 20 30 CFEDMN C=CCS(=O)(=O)CCN[C@@H](CCC)c1ccsc1 ZINC000276907841 386075767 /nfs/dbraw/zinc/07/57/67/386075767.db2.gz KDUGSAFTIDANAU-ZDUSSCGKSA-N 0 1 287.450 2.780 20 30 CFEDMN C=CC[C@H](CO)Nc1ccnc2cc(F)c(OC)cc21 ZINC000281345600 195206609 /nfs/dbraw/zinc/20/66/09/195206609.db2.gz BXYGBXGERBTLNH-SNVBAGLBSA-N 0 1 276.311 2.731 20 30 CFEDMN C=CC[C@H](CO)N[C@H](C)c1nc2c(s1)CCCC2 ZINC000186713184 260008216 /nfs/dbraw/zinc/00/82/16/260008216.db2.gz RDSKAWDEZIHVOF-GHMZBOCLSA-N 0 1 266.410 2.610 20 30 CFEDMN CO[C@@H]1CCN(Cc2ccc(C#N)cc2F)[C@@H](C)C1 ZINC000281617305 195311333 /nfs/dbraw/zinc/31/13/33/195311333.db2.gz HCVREGYMGUVCPH-SMDDNHRTSA-N 0 1 262.328 2.697 20 30 CFEDMN COc1ccc(C#N)cc1CN1CC[C@@H](OCC(C)C)C1 ZINC000156929311 533269761 /nfs/dbraw/zinc/26/97/61/533269761.db2.gz CMNFAYGNLYEBNQ-MRXNPFEDSA-N 0 1 288.391 2.814 20 30 CFEDMN C[C@@H](C(=O)Nc1nc2cccnc2[n-]1)[NH+]1[C@H](C)CC[C@H]1C ZINC000330214391 533360751 /nfs/dbraw/zinc/36/07/51/533360751.db2.gz GDJDSHCQQXICIN-MXWKQRLJSA-N 0 1 287.367 2.807 20 30 CFEDMN CN1Cc2ccccc2[C@@H](Nc2cccc(C#N)n2)C1 ZINC000366759788 130224495 /nfs/dbraw/zinc/22/44/95/130224495.db2.gz NVPJSLYVQHEBDO-HNNXBMFYSA-N 0 1 264.332 2.552 20 30 CFEDMN N#Cc1ccc(CSc2cn[nH]n2)c(OC(F)F)c1 ZINC000342071446 130235878 /nfs/dbraw/zinc/23/58/78/130235878.db2.gz DNCHFFRJQLGMOO-UHFFFAOYSA-N 0 1 282.275 2.570 20 30 CFEDMN Cc1cc(C[C@H](C)Nc2ccc(C#N)c([N+](=O)[O-])c2)[nH]n1 ZINC000357442106 130470770 /nfs/dbraw/zinc/47/07/70/130470770.db2.gz TUBOVFNHEAINHB-VIFPVBQESA-N 0 1 285.307 2.541 20 30 CFEDMN N#Cc1cc(CN[C@@H](CO)c2ccc(F)cc2)ccc1F ZINC000359625641 130526704 /nfs/dbraw/zinc/52/67/04/130526704.db2.gz OBHWLJNGMHPJHE-INIZCTEOSA-N 0 1 288.297 2.660 20 30 CFEDMN C=CC[N@H+](CCC(=O)[O-])Cc1ccc(Cl)s1 ZINC000238082443 131076489 /nfs/dbraw/zinc/07/64/89/131076489.db2.gz LSPLYGWODZYJRZ-UHFFFAOYSA-N 0 1 259.758 2.864 20 30 CFEDMN C=CCCCCCN1CCc2ccccc2[C@H]1C(N)=O ZINC000683783080 542724367 /nfs/dbraw/zinc/72/43/67/542724367.db2.gz CSAAUQHSGHFBHB-INIZCTEOSA-N 0 1 272.392 2.818 20 30 CFEDMN C=CCCCNC(=O)c1ccc(CN(CC)CC)o1 ZINC000684154669 542770657 /nfs/dbraw/zinc/77/06/57/542770657.db2.gz FMNCCSXMTNINMF-UHFFFAOYSA-N 0 1 264.369 2.817 20 30 CFEDMN C=C(Br)CN[C@H]1c2ccccc2CC[C@@H]1CO ZINC000373805286 393473379 /nfs/dbraw/zinc/47/33/79/393473379.db2.gz CCMXPQBPQCUNCV-TZMCWYRMSA-N 0 1 296.208 2.781 20 30 CFEDMN N#Cc1cccc(Cl)c1N1CCC[C@H](c2nc[nH]n2)C1 ZINC000378217307 393543379 /nfs/dbraw/zinc/54/33/79/393543379.db2.gz KMTALDCRXIFHBD-NSHDSACASA-N 0 1 287.754 2.714 20 30 CFEDMN CCCCCCN1C[C@H](C#N)[C@]2(C1)c1ccccc1NC2=O ZINC000374369215 393495276 /nfs/dbraw/zinc/49/52/76/393495276.db2.gz YCFOEDRCJDLGBI-KBXCAEBGSA-N 0 1 297.402 2.912 20 30 CFEDMN CC(C)[C@@H]1CCCCN1C(=O)N[C@H]1CCc2[nH]cnc2C1 ZINC000329596866 393544207 /nfs/dbraw/zinc/54/42/07/393544207.db2.gz CGYDNBQMIDWGCK-WFASDCNBSA-N 0 1 290.411 2.692 20 30 CFEDMN N#Cc1ccc(CNCc2ccc(Cl)cn2)cc1 ZINC000182685702 393513216 /nfs/dbraw/zinc/51/32/16/393513216.db2.gz TYVSVWRADUHHND-UHFFFAOYSA-N 0 1 257.724 2.896 20 30 CFEDMN Cc1cc(CC(=O)Nc2c(C)noc2C2CC2)n[nH]1 ZINC000329634612 393544907 /nfs/dbraw/zinc/54/49/07/393544907.db2.gz XQMGHKDCPHSOSC-UHFFFAOYSA-N 0 1 260.297 2.723 20 30 CFEDMN O=C(NC[C@@H]1CCC[C@@H](O)C1)c1cc2[nH]cnc2cc1F ZINC000329415765 393533576 /nfs/dbraw/zinc/53/35/76/393533576.db2.gz YYYUUSWERAGJAS-NXEZZACHSA-N 0 1 291.326 2.558 20 30 CFEDMN N#Cc1ccc(C(=O)Nc2cc(Cl)ccc2O)cc1O ZINC000188355999 393563775 /nfs/dbraw/zinc/56/37/75/393563775.db2.gz LXHHSXLBMYAYJI-UHFFFAOYSA-N 0 1 288.690 2.875 20 30 CFEDMN CCC[C@H]1CCC[C@H]1C(=O)N=c1[nH]n(C(C)C)cc1C#N ZINC000410544459 393629298 /nfs/dbraw/zinc/62/92/98/393629298.db2.gz WDMKVXHXPSTWNL-GXTWGEPZSA-N 0 1 288.395 2.912 20 30 CFEDMN C=C[C@H]1CCCCN1C(=O)c1ccc(-c2nnc[nH]2)cc1 ZINC000335682989 393689340 /nfs/dbraw/zinc/68/93/40/393689340.db2.gz NVIBWXBCTMJDSV-AWEZNQCLSA-N 0 1 282.347 2.652 20 30 CFEDMN Cc1ccc2c(c1)nc(CN[C@@H]1CC[C@H](C#N)C1)n2C ZINC000335679658 393689635 /nfs/dbraw/zinc/68/96/35/393689635.db2.gz ZIEYQGGUWZRJSL-QWHCGFSZSA-N 0 1 268.364 2.664 20 30 CFEDMN CC(C)COC(=O)N1CCN(CC(C)(C)CCC#N)CC1 ZINC000092756024 393789525 /nfs/dbraw/zinc/78/95/25/393789525.db2.gz IEOREOBYGJMWDC-UHFFFAOYSA-N 0 1 295.427 2.727 20 30 CFEDMN C=CCOCCN1CCc2cc(OCC)ccc2C1 ZINC000339040732 393812689 /nfs/dbraw/zinc/81/26/89/393812689.db2.gz HOVPKNZTQYVPBV-UHFFFAOYSA-N 0 1 261.365 2.646 20 30 CFEDMN N#CCCOCCN1CC[C@H](c2c(F)cccc2F)C1 ZINC000339097323 393817468 /nfs/dbraw/zinc/81/74/68/393817468.db2.gz UDKVZTLKHZWUPJ-LBPRGKRZSA-N 0 1 280.318 2.684 20 30 CFEDMN CCOc1cccc(CN2CCC(C#N)(COC)CC2)c1 ZINC000342836125 393871681 /nfs/dbraw/zinc/87/16/81/393871681.db2.gz GYNDBBPFPDNWLB-UHFFFAOYSA-N 0 1 288.391 2.837 20 30 CFEDMN CCN(C[C@H](C)C#N)C(=O)[C@H]1CCCN1Cc1ccccc1 ZINC000343217812 393881811 /nfs/dbraw/zinc/88/18/11/393881811.db2.gz PNRPSBMJSWAECJ-NVXWUHKLSA-N 0 1 299.418 2.659 20 30 CFEDMN C[C@@H](CC#N)NC(=O)Nc1ccc2nc(C(F)F)[nH]c2c1 ZINC000120315933 393933106 /nfs/dbraw/zinc/93/31/06/393933106.db2.gz RZPNQGFVGYTGBR-ZETCQYMHSA-N 0 1 293.277 2.924 20 30 CFEDMN CC[C@@H](C#N)S(=O)(=O)Nc1ccc(C)cc1SC ZINC000416953123 393946745 /nfs/dbraw/zinc/94/67/45/393946745.db2.gz HIOZEEBPHPWYIH-JTQLQIEISA-N 0 1 284.406 2.761 20 30 CFEDMN CC[C@H](C#N)S(=O)(=O)Nc1ccc(C)cc1SC ZINC000416953125 393946913 /nfs/dbraw/zinc/94/69/13/393946913.db2.gz HIOZEEBPHPWYIH-SNVBAGLBSA-N 0 1 284.406 2.761 20 30 CFEDMN Cc1ccoc1CN1CC[C@@H](Oc2ccc(C#N)cn2)C1 ZINC000430166560 393964502 /nfs/dbraw/zinc/96/45/02/393964502.db2.gz FDNQOGISHWDBGU-CQSZACIVSA-N 0 1 283.331 2.508 20 30 CFEDMN COc1cc(/C=C\c2ccncc2C#N)cc([N+](=O)[O-])c1O ZINC000436813330 394023444 /nfs/dbraw/zinc/02/34/44/394023444.db2.gz DMVKICXAPMGVCW-IHWYPQMZSA-N 0 1 297.270 2.746 20 30 CFEDMN C=CCC[C@@H](O)CN(C)Cc1ccc(Br)o1 ZINC000122819703 393972097 /nfs/dbraw/zinc/97/20/97/393972097.db2.gz XBPLEMAGKOGARY-SNVBAGLBSA-N 0 1 288.185 2.801 20 30 CFEDMN CC1=C[C@@H](C)CN([C@@H](C)C(=O)Nc2cccc(C#N)c2)C1 ZINC000430283597 393979393 /nfs/dbraw/zinc/97/93/93/393979393.db2.gz ZUJACCHLKUHCRG-OCCSQVGLSA-N 0 1 283.375 2.783 20 30 CFEDMN CC1=C[C@H](C)C[N@H+]([C@H]2CCN(c3ccc(C#N)cc3)C2=O)C1 ZINC000430285701 393979894 /nfs/dbraw/zinc/97/98/94/393979894.db2.gz RFWNLAMRZFQEIE-GUYCJALGSA-N 0 1 295.386 2.562 20 30 CFEDMN CC1=C[C@H](C)CN([C@H]2CCN(c3ccc(C#N)cc3)C2=O)C1 ZINC000430285701 393979897 /nfs/dbraw/zinc/97/98/97/393979897.db2.gz RFWNLAMRZFQEIE-GUYCJALGSA-N 0 1 295.386 2.562 20 30 CFEDMN CC(C)(C)CN(CCC#N)C(=O)c1c(O)cccc1F ZINC000123386248 393980176 /nfs/dbraw/zinc/98/01/76/393980176.db2.gz GEWVPKIMWLQLKW-UHFFFAOYSA-N 0 1 278.327 2.933 20 30 CFEDMN C=C(C)CN(CC)C(=O)[C@H](C)N1CCC(F)(F)[C@H](C)C1 ZINC000352037470 394010276 /nfs/dbraw/zinc/01/02/76/394010276.db2.gz VPZXTBBPUXBYOO-OLZOCXBDSA-N 0 1 288.382 2.777 20 30 CFEDMN C=C(C)CN(Cc1ccccc1)C(=O)c1cnc[nH]1 ZINC000352210625 394011934 /nfs/dbraw/zinc/01/19/34/394011934.db2.gz LTRKFSOUVSDDPQ-UHFFFAOYSA-N 0 1 255.321 2.628 20 30 CFEDMN C[C@H](O)CN(Cc1nc(C#N)cs1)C1CCCCC1 ZINC000356187339 394075407 /nfs/dbraw/zinc/07/54/07/394075407.db2.gz BXSABAVFZLYNMN-NSHDSACASA-N 0 1 279.409 2.530 20 30 CFEDMN CCC1(CC)CCN([C@H](C(N)=O)c2ccc(C#N)cc2)C1 ZINC000438500925 394079071 /nfs/dbraw/zinc/07/90/71/394079071.db2.gz SADZATMKCBGKNU-HNNXBMFYSA-N 0 1 285.391 2.597 20 30 CFEDMN CCN1C[C@@H](C)N(C(=O)/C=C/c2ccc(C#N)cc2)[C@@H](C)C1 ZINC000493195391 394176328 /nfs/dbraw/zinc/17/63/28/394176328.db2.gz VBGUTYPQWSNYKX-COAGHLHKSA-N 0 1 297.402 2.513 20 30 CFEDMN C=CCN1CC[C@H]([N@@H+]2CCC[C@H]2c2cccc(C)c2)C1=O ZINC000281990113 394105966 /nfs/dbraw/zinc/10/59/66/394105966.db2.gz MTXUHUOXBWGHNV-IRXDYDNUSA-N 0 1 284.403 2.919 20 30 CFEDMN C[C@H]1CCCN(Cc2ccc(C#N)cc2Cl)[C@H]1CO ZINC000439431834 394115436 /nfs/dbraw/zinc/11/54/36/394115436.db2.gz RTYMFSYSDGFTQB-NHYWBVRUSA-N 0 1 278.783 2.804 20 30 CFEDMN COC(=O)C[C@H]1CCCN1Cc1ccc(C#N)cc1Cl ZINC000439451858 394115560 /nfs/dbraw/zinc/11/55/60/394115560.db2.gz MVZBFZQJFIHWNA-CYBMUJFWSA-N 0 1 292.766 2.739 20 30 CFEDMN CCOC(=O)C[C@H](C)N(C)Cc1ccc(C#N)cc1Cl ZINC000439433004 394115876 /nfs/dbraw/zinc/11/58/76/394115876.db2.gz XQEDXWPEYUDYNX-NSHDSACASA-N 0 1 294.782 2.985 20 30 CFEDMN C=CCN1CC[C@@H](N2CCC[C@H]2c2cccc(F)c2)C1=O ZINC000282046694 394115913 /nfs/dbraw/zinc/11/59/13/394115913.db2.gz RIUGZTWHGCEXNT-JKSUJKDBSA-N 0 1 288.366 2.750 20 30 CFEDMN C=CCN1CC[C@H]([N@@H+](CC)[C@@H](C)c2ccc(C#N)cc2)C1=O ZINC000282054902 394117012 /nfs/dbraw/zinc/11/70/12/394117012.db2.gz RSMNDGQXFGIHBP-YOEHRIQHSA-N 0 1 297.402 2.728 20 30 CFEDMN C=CCN1CC[C@H](N(CC)[C@@H](C)c2ccc(C#N)cc2)C1=O ZINC000282054902 394117016 /nfs/dbraw/zinc/11/70/16/394117016.db2.gz RSMNDGQXFGIHBP-YOEHRIQHSA-N 0 1 297.402 2.728 20 30 CFEDMN C=C(C)CN(CC)C(=O)C[N@@H+](CCC)C[C@H]1CCCCO1 ZINC000359157975 394125917 /nfs/dbraw/zinc/12/59/17/394125917.db2.gz LVUJEIKNSFRLLK-MRXNPFEDSA-N 0 1 296.455 2.692 20 30 CFEDMN C=C(C)CN(CC)C(=O)CN(CCC)C[C@H]1CCCCO1 ZINC000359157975 394125921 /nfs/dbraw/zinc/12/59/21/394125921.db2.gz LVUJEIKNSFRLLK-MRXNPFEDSA-N 0 1 296.455 2.692 20 30 CFEDMN C=CCN(CCC#N)C(=O)C(C#N)CCc1ccccc1 ZINC000359440341 394134068 /nfs/dbraw/zinc/13/40/68/394134068.db2.gz DDKPGVMWADMZCB-MRXNPFEDSA-N 0 1 281.359 2.687 20 30 CFEDMN COC(=O)[C@@H]1C[C@H](C)CCN1CCCC(C)(C)C#N ZINC000360539852 394153975 /nfs/dbraw/zinc/15/39/75/394153975.db2.gz JXCJHXYBSNIGSV-OLZOCXBDSA-N 0 1 266.385 2.590 20 30 CFEDMN C=C(C)COc1cccc(NC(=O)[C@H]2C[C@H]2c2nc[nH]n2)c1 ZINC000361036072 394164208 /nfs/dbraw/zinc/16/42/08/394164208.db2.gz QUVJPSXXUFQRTB-KGLIPLIRSA-N 0 1 298.346 2.502 20 30 CFEDMN C=CCOc1ccc(CN2CCC(F)(F)[C@H](CO)C2)cc1 ZINC000361078890 394164653 /nfs/dbraw/zinc/16/46/53/394164653.db2.gz JWZHIELPKYRWTH-AWEZNQCLSA-N 0 1 297.345 2.701 20 30 CFEDMN Cc1cc(CNCc2ccc(C#N)c(F)c2)cc(C)n1 ZINC000421387821 394216251 /nfs/dbraw/zinc/21/62/51/394216251.db2.gz UNIRRJXJDFAUDD-UHFFFAOYSA-N 0 1 269.323 2.999 20 30 CFEDMN Cc1cc(C)n([C@H]2CCCN(Cc3cc(C#N)n(C)c3)C2)n1 ZINC000365235140 394230144 /nfs/dbraw/zinc/23/01/44/394230144.db2.gz SJKZKJUWDJZYOD-INIZCTEOSA-N 0 1 297.406 2.547 20 30 CFEDMN CC#CCN1CCC(c2ccnc(C(C)C)n2)CC1 ZINC000367195397 394252194 /nfs/dbraw/zinc/25/21/94/394252194.db2.gz IMDGWGJLRHKPBJ-UHFFFAOYSA-N 0 1 257.381 2.803 20 30 CFEDMN CN(Cc1ccc(F)cc1C#N)[C@H](CO)C(C)(C)C ZINC000134375075 394195068 /nfs/dbraw/zinc/19/50/68/394195068.db2.gz XYFDESTVYKHFPZ-CQSZACIVSA-N 0 1 264.344 2.536 20 30 CFEDMN CC(C)[C@H]1CN(Cc2ccccc2C#N)CCCO1 ZINC000293151330 394280271 /nfs/dbraw/zinc/28/02/71/394280271.db2.gz OEYLMULRRNZBKG-MRXNPFEDSA-N 0 1 258.365 2.805 20 30 CFEDMN Cc1ccc(CN(C)Cc2cccc(C#N)c2)cn1 ZINC000153738935 394289865 /nfs/dbraw/zinc/28/98/65/394289865.db2.gz ZARZMTAGOFRZSZ-UHFFFAOYSA-N 0 1 251.333 2.894 20 30 CFEDMN C[C@@H]1CN(CCOc2cccc(C#N)c2)CC2(CCC2)O1 ZINC000517233773 394370665 /nfs/dbraw/zinc/37/06/65/394370665.db2.gz BLDJYFOQBDPICG-CQSZACIVSA-N 0 1 286.375 2.580 20 30 CFEDMN CSCCCN1CCN([C@@H](C#N)c2ccccc2)CC1 ZINC000174578803 394378984 /nfs/dbraw/zinc/37/89/84/394378984.db2.gz ZCLUCTHBIGYJFC-INIZCTEOSA-N 0 1 289.448 2.622 20 30 CFEDMN CCC#C[C@H](C)N1CC[C@@H](n2cc(Cl)cn2)C1 ZINC000685613408 542934216 /nfs/dbraw/zinc/93/42/16/542934216.db2.gz DYPSWTMNTSHTMF-WCQYABFASA-N 0 1 251.761 2.585 20 30 CFEDMN C[C@H](c1ccccc1)[N@H+]1CC[C@H](Nc2ccncc2C#N)C1 ZINC000548481249 394934848 /nfs/dbraw/zinc/93/48/48/394934848.db2.gz IGHGEDCGQWCDDT-PBHICJAKSA-N 0 1 292.386 2.623 20 30 CFEDMN C=CCn1c(-c2scnc2C)n[n-]c1=[NH+]C(C)(C)C ZINC000647379427 395320708 /nfs/dbraw/zinc/32/07/08/395320708.db2.gz JAKCOLNZNNHLGV-UHFFFAOYSA-N 0 1 277.397 2.528 20 30 CFEDMN C=CCN(C(=O)c1ncccc1O)c1ccccc1 ZINC000647741810 395423939 /nfs/dbraw/zinc/42/39/39/395423939.db2.gz KJEJKGKBJLXCKV-UHFFFAOYSA-N 0 1 254.289 2.620 20 30 CFEDMN C=C(C)[C@H](CO)Sc1nc(-c2ccc(C)cc2)n[nH]1 ZINC000649415418 395489978 /nfs/dbraw/zinc/48/99/78/395489978.db2.gz FJRAFACQHQVGPC-LBPRGKRZSA-N 0 1 275.377 2.809 20 30 CFEDMN N#Cc1cc(F)ccc1CN1CCC[C@@H](CCO)CC1 ZINC000421009469 397571093 /nfs/dbraw/zinc/57/10/93/397571093.db2.gz FEEPSCLLXOTTGT-CYBMUJFWSA-N 0 1 276.355 2.682 20 30 CFEDMN C=CCOCCCN1CCN(CC(F)(F)F)CC1(C)C ZINC000348027220 397657624 /nfs/dbraw/zinc/65/76/24/397657624.db2.gz BLSRHBHZVFGLGA-UHFFFAOYSA-N 0 1 294.361 2.538 20 30 CFEDMN C=C(C)CC[N@H+]1CC[C@H](C(=O)[O-])[C@@H]2CCCC[C@H]21 ZINC000656766652 413197679 /nfs/dbraw/zinc/19/76/79/413197679.db2.gz PGKNYYMVCDBTGO-MELADBBJSA-N 0 1 251.370 2.918 20 30 CFEDMN C=C(CC)C[N@H+]1CC[C@H](C(=O)[O-])[C@@H]2CCCC[C@@H]21 ZINC000656768690 413202241 /nfs/dbraw/zinc/20/22/41/413202241.db2.gz WIHSYYRZVUSGFS-IHRRRGAJSA-N 0 1 251.370 2.918 20 30 CFEDMN COCCN(C)Cc1ccc(C#N)cc1C(F)(F)F ZINC000356048348 155149647 /nfs/dbraw/zinc/14/96/47/155149647.db2.gz CNXLSELRMXEDIO-UHFFFAOYSA-N 0 1 272.270 2.655 20 30 CFEDMN C=CCCn1cc(CNc2nc(C)ccc2CC)nn1 ZINC000656779259 413217103 /nfs/dbraw/zinc/21/71/03/413217103.db2.gz TXIFJWORVMGCOP-UHFFFAOYSA-N 0 1 271.368 2.732 20 30 CFEDMN CCC[C@H](C)CN1CCN(c2snc(C)c2C#N)CC1 ZINC000356270507 155203647 /nfs/dbraw/zinc/20/36/47/155203647.db2.gz BYXVRXMTGILONI-LBPRGKRZSA-N 0 1 292.452 2.881 20 30 CFEDMN COC(=O)c1cccc(CN(C)Cc2ccc(C#N)cc2)c1 ZINC000356475816 155277374 /nfs/dbraw/zinc/27/73/74/155277374.db2.gz RRDGBPWTTBTJRB-UHFFFAOYSA-N 0 1 294.354 2.977 20 30 CFEDMN N#Cc1ccnc(C(=O)Nc2cc(Cl)c(O)cc2F)c1 ZINC000345635019 154225408 /nfs/dbraw/zinc/22/54/08/154225408.db2.gz VLRCHJQSXBYAQX-UHFFFAOYSA-N 0 1 291.669 2.704 20 30 CFEDMN C=CC[C@H]1CCCC[C@H]1NS(=O)(=O)c1ccccc1O ZINC000657036648 413294042 /nfs/dbraw/zinc/29/40/42/413294042.db2.gz KZTJMDUGDBFXCW-QWHCGFSZSA-N 0 1 295.404 2.805 20 30 CFEDMN Cc1ccc(CN2CCN(c3cccc(C#N)n3)CC2)s1 ZINC000355438197 155007722 /nfs/dbraw/zinc/00/77/22/155007722.db2.gz DQNNRZNGCIJQPF-UHFFFAOYSA-N 0 1 298.415 2.645 20 30 CFEDMN COc1cc(CN2CCC(n3cccn3)CC2)ccc1C#N ZINC000374204851 157081605 /nfs/dbraw/zinc/08/16/05/157081605.db2.gz LWPXNDFWLPPTOJ-UHFFFAOYSA-N 0 1 296.374 2.600 20 30 CFEDMN N#Cc1ccccc1CN1CCC([C@@H]2CCOC2)CC1 ZINC000374596166 157135595 /nfs/dbraw/zinc/13/55/95/157135595.db2.gz PZOFJKIPOIRDRG-QGZVFWFLSA-N 0 1 270.376 2.807 20 30 CFEDMN C[C@]1(NCc2ccc(F)cc2C#N)CCO[C@@H]1C1CC1 ZINC000374598413 157135756 /nfs/dbraw/zinc/13/57/56/157135756.db2.gz XGNGDWODNJFNPB-CVEARBPZSA-N 0 1 274.339 2.745 20 30 CFEDMN Cc1ncc(C(=O)N(O)Cc2cccc3ccccc32)[nH]1 ZINC000900091662 620636419 /nfs/dbraw/zinc/63/64/19/620636419.db2.gz GURSFKIBNIKJNL-UHFFFAOYSA-N 0 1 281.315 2.903 20 30 CFEDMN C=C(C)CN(Cc1ccc(CO)o1)[C@H]1COC(C)(C)C1 ZINC000660535219 413376063 /nfs/dbraw/zinc/37/60/63/413376063.db2.gz AAJGLHZZFAPTRF-CYBMUJFWSA-N 0 1 279.380 2.718 20 30 CFEDMN C=CCCn1cc(CN(C)C[C@@H]2CC=CCC2)nn1 ZINC000653613141 413403142 /nfs/dbraw/zinc/40/31/42/413403142.db2.gz WZSWVVZKPKCCRA-CQSZACIVSA-N 0 1 260.385 2.642 20 30 CFEDMN C=CC[C@@H]1CCC[N@H+](Cc2c([O-])nnn2-c2ccccc2)C1 ZINC000663842947 413405895 /nfs/dbraw/zinc/40/58/95/413405895.db2.gz RXHPFIAZGVGNIG-CQSZACIVSA-N 0 1 298.390 2.761 20 30 CFEDMN N#Cc1ccc(CN[C@H](CO)c2ccc(F)cc2)s1 ZINC000344394848 162033123 /nfs/dbraw/zinc/03/31/23/162033123.db2.gz UEZBSJHWJLHHBC-CQSZACIVSA-N 0 1 276.336 2.582 20 30 CFEDMN N#Cc1ccc(CNCc2ccc3c(c2)COC3)s1 ZINC000344992150 162157824 /nfs/dbraw/zinc/15/78/24/162157824.db2.gz JHIFHBVDQYORRC-UHFFFAOYSA-N 0 1 270.357 2.940 20 30 CFEDMN C[C@@H]1CC[C@@H](N(CCO)Cc2ccc(F)cc2C#N)C1 ZINC000351633700 163164716 /nfs/dbraw/zinc/16/47/16/163164716.db2.gz ZXXTZXXCDMXKDU-MLGOLLRUSA-N 0 1 276.355 2.680 20 30 CFEDMN CCOc1cccc(CCNCc2nc(C#N)cs2)c1 ZINC000352811615 163239048 /nfs/dbraw/zinc/23/90/48/163239048.db2.gz SXCIPJLIIVLUSK-UHFFFAOYSA-N 0 1 287.388 2.746 20 30 CFEDMN N#Cc1csc(CNCCCOc2ccccc2)n1 ZINC000352830350 163245792 /nfs/dbraw/zinc/24/57/92/163245792.db2.gz AEXJGOUDGUZQKQ-UHFFFAOYSA-N 0 1 273.361 2.573 20 30 CFEDMN COc1cccc(C2(CNCc3nc(C#N)cs3)CC2)c1 ZINC000352861361 163255667 /nfs/dbraw/zinc/25/56/67/163255667.db2.gz HIYIZWRIBHIBLV-UHFFFAOYSA-N 0 1 299.399 2.845 20 30 CFEDMN C[C@@H](N[C@@H]1CCc2ccc(C#N)cc21)c1cnn(C)c1 ZINC000336191098 287061577 /nfs/dbraw/zinc/06/15/77/287061577.db2.gz UOSDQUPLRWUOQI-BDJLRTHQSA-N 0 1 266.348 2.630 20 30 CFEDMN C[C@@H]1CC=CC[C@H]1C(=O)N[C@H]1CCc2nc[nH]c2C1 ZINC000329179996 287241858 /nfs/dbraw/zinc/24/18/58/287241858.db2.gz NQZIXLUFLQVJHB-GRYCIOLGSA-N 0 1 259.353 2.826 20 30 CFEDMN CC(=O)c1ccc(C#N)c(N(C)CCN2CCCCC2)c1 ZINC000651478195 413494718 /nfs/dbraw/zinc/49/47/18/413494718.db2.gz WCKASMLBYHZRJH-UHFFFAOYSA-N 0 1 285.391 2.683 20 30 CFEDMN C=CC[C@@H](C)NC(=O)NC[C@@H]1CCN1Cc1ccccc1 ZINC000660681626 413495464 /nfs/dbraw/zinc/49/54/64/413495464.db2.gz RXBJCOQDQXKVIA-ZBFHGGJFSA-N 0 1 287.407 2.525 20 30 CFEDMN C=CCCn1cc(CN[C@H]2C[C@H]2Cc2ccccc2)nn1 ZINC000657375533 413515912 /nfs/dbraw/zinc/51/59/12/413515912.db2.gz HURUPRAIVWBENF-WBVHZDCISA-N 0 1 282.391 2.575 20 30 CFEDMN C[C@@H](O)CN(CC#Cc1ccc(C(F)(F)F)cc1)C1CC1 ZINC000653898588 413581958 /nfs/dbraw/zinc/58/19/58/413581958.db2.gz LLHUSBFPQLBRIX-GFCCVEGCSA-N 0 1 297.320 2.902 20 30 CFEDMN C=C1C[C@H]2CC[C@@H](C1)N2C(=O)NCCCc1cn[nH]c1C ZINC000660820393 413590633 /nfs/dbraw/zinc/59/06/33/413590633.db2.gz VQJMFDAXIARYIJ-GASCZTMLSA-N 0 1 288.395 2.543 20 30 CFEDMN C=CCCn1cc(CNC[C@@H](C)c2nc(C)cs2)nn1 ZINC000657432599 413597526 /nfs/dbraw/zinc/59/75/26/413597526.db2.gz HYLGKXPVIWMHKY-LLVKDONJSA-N 0 1 291.424 2.512 20 30 CFEDMN C=CCCn1cc(CNC2(Cc3ccccc3)CC2)nn1 ZINC000657436008 413602338 /nfs/dbraw/zinc/60/23/38/413602338.db2.gz ISEKCYKXHDPHKC-UHFFFAOYSA-N 0 1 282.391 2.719 20 30 CFEDMN C[C@H](O)CN(CC#Cc1ccc(C(F)(F)F)cc1)C1CC1 ZINC000653898589 413578505 /nfs/dbraw/zinc/57/85/05/413578505.db2.gz LLHUSBFPQLBRIX-LBPRGKRZSA-N 0 1 297.320 2.902 20 30 CFEDMN C=CCCn1cc(CN[C@H]2C[C@H](c3ccccc3)C2)nn1 ZINC000657454451 413625890 /nfs/dbraw/zinc/62/58/90/413625890.db2.gz JNTQOVORXVFEKM-WKILWMFISA-N 0 1 282.391 2.890 20 30 CFEDMN C=CCCN(C)Cc1cc(OC)c(OC)cc1F ZINC000651782109 413636852 /nfs/dbraw/zinc/63/68/52/413636852.db2.gz BTEUBULSPHOJLA-UHFFFAOYSA-N 0 1 253.317 2.851 20 30 CFEDMN CCc1ccc([C@H](O)CNCc2ccc(C#N)o2)cc1 ZINC000285402722 196274143 /nfs/dbraw/zinc/27/41/43/196274143.db2.gz FHHDWJYBSHRYNV-MRXNPFEDSA-N 0 1 270.332 2.537 20 30 CFEDMN C=CC[C@H]1CCCN(C(=O)N[C@H](C)Cc2cc(C)[nH]n2)C1 ZINC000660929566 413669138 /nfs/dbraw/zinc/66/91/38/413669138.db2.gz GQDHWCLUFCDPAP-OCCSQVGLSA-N 0 1 290.411 2.647 20 30 CFEDMN CN(CC#Cc1ccc(C(F)(F)F)cc1)Cc1cnc[nH]1 ZINC000661086024 413740116 /nfs/dbraw/zinc/74/01/16/413740116.db2.gz TYSBWTWGFFJWAT-UHFFFAOYSA-N 0 1 293.292 2.912 20 30 CFEDMN C=CC[N@@H+](Cc1ccccc1N(C)C)[C@H](C)COC ZINC000661242132 413844736 /nfs/dbraw/zinc/84/47/36/413844736.db2.gz HGXPSBBEIXRJLR-CQSZACIVSA-N 0 1 262.397 2.776 20 30 CFEDMN C=CCN(CCOc1ccccc1C(C)=O)[C@@H](C)COC ZINC000661245712 413846934 /nfs/dbraw/zinc/84/69/34/413846934.db2.gz DWDBUPVPHIEMSJ-AWEZNQCLSA-N 0 1 291.391 2.791 20 30 CFEDMN C=CC[C@H]1CCCN(Cc2nccc(OC)c2OC)C1 ZINC000661386888 413941057 /nfs/dbraw/zinc/94/10/57/413941057.db2.gz VRMQMZLMXVXORI-ZDUSSCGKSA-N 0 1 276.380 2.887 20 30 CFEDMN C=CCCCCCNC(=O)N(C)C[C@@H]1CCC[N@@H+](C)C1 ZINC000654665797 413949431 /nfs/dbraw/zinc/94/94/31/413949431.db2.gz ORBJCLJXSKYRCO-OAHLLOKOSA-N 0 1 281.444 2.716 20 30 CFEDMN C=CCCCCCNC(=O)N(C)C[C@H]1CCC[N@@H+](C)C1 ZINC000654665796 413951019 /nfs/dbraw/zinc/95/10/19/413951019.db2.gz ORBJCLJXSKYRCO-HNNXBMFYSA-N 0 1 281.444 2.716 20 30 CFEDMN C=C(C)C[N@H+](CC)Cc1cc(C(=O)[O-])oc1CC ZINC000652369973 413910859 /nfs/dbraw/zinc/91/08/59/413910859.db2.gz LFKDVWYNKWNNQJ-UHFFFAOYSA-N 0 1 251.326 2.938 20 30 CFEDMN C=CCC[C@H](O)CN1CC(C)(C)[C@H]1c1cccnc1 ZINC000664825678 413963252 /nfs/dbraw/zinc/96/32/52/413963252.db2.gz KQWBMISEMOKIEO-LSDHHAIUSA-N 0 1 260.381 2.792 20 30 CFEDMN N#Cc1ccc(CNCc2cccc([N+](=O)[O-])c2)cc1 ZINC000037505736 173241011 /nfs/dbraw/zinc/24/10/11/173241011.db2.gz YBVBFQISIOVEIL-UHFFFAOYSA-N 0 1 267.288 2.756 20 30 CFEDMN C=CCC1(NC(=O)NCc2cc(C)[nH]n2)CCCCC1 ZINC000655572774 414329815 /nfs/dbraw/zinc/32/98/15/414329815.db2.gz QQONRAPHZWCMDS-UHFFFAOYSA-N 0 1 276.384 2.796 20 30 CFEDMN C=CC[C@@H](Cc1ccccc1)NC(=O)NCc1cc(C)[nH]n1 ZINC000665719445 414422783 /nfs/dbraw/zinc/42/27/83/414422783.db2.gz ZUQNDPMHWYFOCD-HNNXBMFYSA-N 0 1 298.390 2.705 20 30 CFEDMN C=CCC[C@@H](CCC)[NH2+]Cc1nnc([C@H]2CCCO2)[n-]1 ZINC000655796804 414439996 /nfs/dbraw/zinc/43/99/96/414439996.db2.gz JEMWRAXVTWIBEO-CHWSQXEVSA-N 0 1 278.400 2.881 20 30 CFEDMN C=CC[C@H]1CCCC[C@@H]1NC(=O)c1coc(CN)c1 ZINC000662601409 414570835 /nfs/dbraw/zinc/57/08/35/414570835.db2.gz LIQAEOAENKBBCH-FZMZJTMJSA-N 0 1 262.353 2.603 20 30 CFEDMN C=CC[C@H]1CCCN(C(=O)[C@@H](N)c2ccccc2C)C1 ZINC000662635948 414581803 /nfs/dbraw/zinc/58/18/03/414581803.db2.gz POFQBSTUIYIJEH-HOCLYGCPSA-N 0 1 272.392 2.810 20 30 CFEDMN C=CCCS(=O)(=O)NCC(F)(F)c1ccccc1C ZINC000660055929 414656530 /nfs/dbraw/zinc/65/65/30/414656530.db2.gz JCGAXNVODZELIS-UHFFFAOYSA-N 0 1 289.347 2.582 20 30 CFEDMN C=CCN(CC=C)Cc1cc(=O)oc2cc(OC)ccc12 ZINC000072137712 176322588 /nfs/dbraw/zinc/32/25/88/176322588.db2.gz DMNLCDPLQYURFY-UHFFFAOYSA-N 0 1 285.343 2.976 20 30 CFEDMN N#CCCN(C[C@H](O)Cc1cccc(Cl)c1)CC1CC1 ZINC000347041752 226024653 /nfs/dbraw/zinc/02/46/53/226024653.db2.gz BKPZHKDKUWEUSR-MRXNPFEDSA-N 0 1 292.810 2.869 20 30 CFEDMN COc1cc([C@H](C)NCC#Cc2ccccc2)ccn1 ZINC000347628353 226204994 /nfs/dbraw/zinc/20/49/94/226204994.db2.gz ITHOEMUFSGVILV-AWEZNQCLSA-N 0 1 266.344 2.793 20 30 CFEDMN Cc1ncc(C(=O)NCCN2CC=C(C(C)(C)C)CC2)[nH]1 ZINC000329094654 227293927 /nfs/dbraw/zinc/29/39/27/227293927.db2.gz KONOQKYMTUPFHA-UHFFFAOYSA-N 0 1 290.411 2.701 20 30 CFEDMN Cc1n[nH]c(CCNC(=O)CCC2CCCCC2)n1 ZINC000329115927 227308963 /nfs/dbraw/zinc/30/89/63/227308963.db2.gz NCQAQQADUBJGTK-UHFFFAOYSA-N 0 1 264.373 2.973 20 30 CFEDMN Cc1n[nH]c(CCNC(=O)[C@@H]2C[C@H]2C2CCCCC2)n1 ZINC000329124530 227312959 /nfs/dbraw/zinc/31/29/59/227312959.db2.gz XQFDBKWKOGYOSB-QWHCGFSZSA-N 0 1 276.384 2.829 20 30 CFEDMN Cc1n[nH]c(CCNC(=O)CC2CCCCCC2)n1 ZINC000329126831 227314814 /nfs/dbraw/zinc/31/48/14/227314814.db2.gz YRRYDKDLYNQTAD-UHFFFAOYSA-N 0 1 264.373 2.973 20 30 CFEDMN O=C(Nc1ccc2nc[nH]c2c1)[C@@H]1CCNC(=O)C1 ZINC000329967000 228001435 /nfs/dbraw/zinc/00/14/35/228001435.db2.gz VVPBYHKJPFBQPE-MRVPVSSYSA-N 0 1 258.281 2.517 20 30 CFEDMN Cc1cc(-n2ccnc2)ccc1CN[C@H]1CCC[C@H]1C#N ZINC000331665800 228117639 /nfs/dbraw/zinc/11/76/39/228117639.db2.gz OJSWOHFIQORMIN-YOEHRIQHSA-N 0 1 280.375 2.963 20 30 CFEDMN O=C(Cc1ccc2c(c1)CCO2)N[C@@H]1CCCc2cn[nH]c21 ZINC000330097257 228038729 /nfs/dbraw/zinc/03/87/29/228038729.db2.gz AOGHJJYPFKGVTP-CQSZACIVSA-N 0 1 297.358 2.921 20 30 CFEDMN Cc1cnn([C@H]2CCCN(C([O-])=[NH+]CC3(C)CC3)C2)c1 ZINC000330101909 228039402 /nfs/dbraw/zinc/03/94/02/228039402.db2.gz IEAYDSNWFDLJIJ-ZDUSSCGKSA-N 0 1 276.384 2.543 20 30 CFEDMN O=C(NC[C@H](O)C1CCCCC1)[C@@H]1CCCN1C1CC1 ZINC000330212741 228067471 /nfs/dbraw/zinc/06/74/71/228067471.db2.gz DVCNKKKORYISPE-GJZGRUSLSA-N 0 1 280.412 2.511 20 30 CFEDMN NC(=O)C1(CNC(=O)[C@H]2CCCN2C2CC2)CCCC1 ZINC000330245144 228077715 /nfs/dbraw/zinc/07/77/15/228077715.db2.gz XNCJKRWTUPEOIS-GFCCVEGCSA-N 0 1 279.384 2.665 20 30 CFEDMN O=C(NCC1(CCO)CCCCC1)[C@H]1CCCN1C1CC1 ZINC000330248675 228079879 /nfs/dbraw/zinc/07/98/79/228079879.db2.gz ZKBHXJXTIMBJRA-OAHLLOKOSA-N 0 1 294.439 2.903 20 30 CFEDMN Cc1cccc2nc([C@H](C#N)C(=O)c3c[nH]c(C#N)c3)[nH]c21 ZINC000353637733 228137066 /nfs/dbraw/zinc/13/70/66/228137066.db2.gz MCDRZGXVECIARU-GFCCVEGCSA-N 0 1 289.298 2.561 20 30 CFEDMN C=CC[C@H](C)NC(=O)NC[C@H](c1ccc(F)cc1)N(C)C ZINC000116972158 260019346 /nfs/dbraw/zinc/01/93/46/260019346.db2.gz IQPVHNSDICUZFU-SWLSCSKDSA-N 0 1 293.386 2.692 20 30 CFEDMN C=CCNC(=O)[C@@H](C)N1CCC(c2ccsc2)CC1 ZINC000186943927 260024770 /nfs/dbraw/zinc/02/47/70/260024770.db2.gz YZMLESQJSGIAQN-GFCCVEGCSA-N 0 1 278.421 2.618 20 30 CFEDMN C=CCC(C)(C)CNC(=O)N[C@H](C)c1n[nH]c(C(C)C)n1 ZINC000297545355 260128629 /nfs/dbraw/zinc/12/86/29/260128629.db2.gz ZDSLANYCFDTGEN-LLVKDONJSA-N 0 1 293.415 2.891 20 30 CFEDMN CCCCNC(=O)C1CCN(Cc2ccccc2C#N)CC1 ZINC000029927773 260139528 /nfs/dbraw/zinc/13/95/28/260139528.db2.gz SPCPFSMEURFDKL-UHFFFAOYSA-N 0 1 299.418 2.687 20 30 CFEDMN Cc1cccc(CN2CCN(C[C@H](C#N)CCC#N)CC2)c1 ZINC000032514713 260144557 /nfs/dbraw/zinc/14/45/57/260144557.db2.gz CGJOFOSJBRUSHF-SFHVURJKSA-N 0 1 296.418 2.556 20 30 CFEDMN C=CCOc1ccccc1CNCc1cn(C)nc1CC ZINC000092392062 260270315 /nfs/dbraw/zinc/27/03/15/260270315.db2.gz XKLOQBCVIGGBKK-UHFFFAOYSA-N 0 1 285.391 2.837 20 30 CFEDMN C[C@@H](C(=O)Nc1nnc2ccccn21)N1CCCCCC1 ZINC000074464342 260287545 /nfs/dbraw/zinc/28/75/45/260287545.db2.gz FDIDWDJCHJIDTP-LBPRGKRZSA-N 0 1 287.367 2.582 20 30 CFEDMN C[C@@H](NC1CC(C#N)(c2ccccc2)C1)C(=O)NC(C)(C)C ZINC000128842854 260378111 /nfs/dbraw/zinc/37/81/11/260378111.db2.gz OTLSEJIBSIWTLI-MJJDPTRDSA-N 0 1 299.418 2.503 20 30 CFEDMN CC(C)c1csc(C(C#N)C(=O)NCc2ccco2)n1 ZINC000155770392 261107465 /nfs/dbraw/zinc/10/74/65/261107465.db2.gz OVEHZSBHHRZMNR-NSHDSACASA-N 0 1 289.360 2.783 20 30 CFEDMN C#CCN1CCC(C(=O)N2CCCC[C@@H]2[C@H](C)CC)CC1 ZINC000490670364 261181816 /nfs/dbraw/zinc/18/18/16/261181816.db2.gz MAHAMLYWGFRJHL-NVXWUHKLSA-N 0 1 290.451 2.759 20 30 CFEDMN CCN(CCC#N)C(=O)[C@H]1CCCCN1Cc1ccccc1 ZINC000161150110 261238547 /nfs/dbraw/zinc/23/85/47/261238547.db2.gz RYVCIGBEAUYGPY-QGZVFWFLSA-N 0 1 299.418 2.803 20 30 CFEDMN N#CCSCCCN1CCO[C@@H](Cc2ccccc2)C1 ZINC000181552256 261901554 /nfs/dbraw/zinc/90/15/54/261901554.db2.gz WWXLOQMJQWBJFQ-INIZCTEOSA-N 0 1 290.432 2.577 20 30 CFEDMN CC[C@H](CC#N)NC(=O)[C@@H](c1ccccc1)N(CC)CC ZINC000183964324 262002549 /nfs/dbraw/zinc/00/25/49/262002549.db2.gz JCLLQVGHXMAAIC-HZPDHXFCSA-N 0 1 287.407 2.878 20 30 CFEDMN CC(C)(CCC#N)CNCc1n[nH]cc1Br ZINC000390260357 262169115 /nfs/dbraw/zinc/16/91/15/262169115.db2.gz NPQITLPYUDPVFD-UHFFFAOYSA-N 0 1 285.189 2.592 20 30 CFEDMN N#C[C@@H]1CCC[C@H](NCC(=O)Nc2ccc(Cl)cc2)C1 ZINC000192757744 262210126 /nfs/dbraw/zinc/21/01/26/262210126.db2.gz DLVIMCJKIVIBNX-RISCZKNCSA-N 0 1 291.782 2.950 20 30 CFEDMN C=CC1CCN(CC(=O)Nc2ccc(OC)cc2)CC1 ZINC000111256883 262258362 /nfs/dbraw/zinc/25/83/62/262258362.db2.gz YTNHGXALWSNBIH-UHFFFAOYSA-N 0 1 274.364 2.532 20 30 CFEDMN C=CC[C@H](CO)NCc1cc(F)ccc1Br ZINC000184273393 262275690 /nfs/dbraw/zinc/27/56/90/262275690.db2.gz BMRBUIFSFGIFCG-LLVKDONJSA-N 0 1 288.160 2.615 20 30 CFEDMN C#CCC1(C(=O)N2CCCN(C3CC3)CC2)CCCCC1 ZINC000365068446 262277086 /nfs/dbraw/zinc/27/70/86/262277086.db2.gz GEUOISDYTTVKTG-UHFFFAOYSA-N 0 1 288.435 2.657 20 30 CFEDMN CC(C)[C@](C)(C#N)NC(=O)CN1CCC(C)(C(C)C)CC1 ZINC000186200408 262311622 /nfs/dbraw/zinc/31/16/22/262311622.db2.gz YZMZNUPGXFPEMQ-KRWDZBQOSA-N 0 1 293.455 2.799 20 30 CFEDMN C=CC[C@H](C(=O)Nc1n[nH]c(CC)n1)c1ccccc1 ZINC000186552460 262317203 /nfs/dbraw/zinc/31/72/03/262317203.db2.gz QACGWDNKTTYMGM-LBPRGKRZSA-N 0 1 270.336 2.666 20 30 CFEDMN C=CC[C@H](C(=O)Nc1nc(CC)n[nH]1)c1ccccc1 ZINC000186552460 262317205 /nfs/dbraw/zinc/31/72/05/262317205.db2.gz QACGWDNKTTYMGM-LBPRGKRZSA-N 0 1 270.336 2.666 20 30 CFEDMN C[C@@H]1CN(CC#Cc2ccc(C(F)(F)F)cc2)CC[C@@H]1O ZINC000186897604 262327846 /nfs/dbraw/zinc/32/78/46/262327846.db2.gz NEHWNIGVYQMFEF-DOMZBBRYSA-N 0 1 297.320 2.760 20 30 CFEDMN Cc1cc(N2CCN(CCCCC(C)(C)C#N)CC2)n[nH]1 ZINC000365342061 262361370 /nfs/dbraw/zinc/36/13/70/262361370.db2.gz FYMHTXOWNHXXMJ-UHFFFAOYSA-N 0 1 289.427 2.560 20 30 CFEDMN CCCN1CCCN(CCCCC(C)(C)C#N)CC1=O ZINC000365357175 262361777 /nfs/dbraw/zinc/36/17/77/262361777.db2.gz BBLHVQASTYCXAU-UHFFFAOYSA-N 0 1 279.428 2.651 20 30 CFEDMN N#CCSCCCN1CC=C(C(F)(F)F)CC1 ZINC000336696870 262381129 /nfs/dbraw/zinc/38/11/29/262381129.db2.gz JULAKVJPWIYZCQ-UHFFFAOYSA-N 0 1 264.316 2.828 20 30 CFEDMN CC1(CN2CCC[C@@H]2[C@@H](C#N)c2ccccc2)COC1 ZINC000336822179 262397294 /nfs/dbraw/zinc/39/72/94/262397294.db2.gz KPYMWXPVTHYGQT-JKSUJKDBSA-N 0 1 270.376 2.795 20 30 CFEDMN C=C[C@@H](Cc1nc(C2(N)CCC2)no1)c1ccccc1 ZINC000414623911 263015341 /nfs/dbraw/zinc/01/53/41/263015341.db2.gz FQYORPMHBUMCJM-LBPRGKRZSA-N 0 1 269.348 2.920 20 30 CFEDMN COC[C@H](NCCC(C)(C)C#N)c1ccc(C)o1 ZINC000273489587 263017396 /nfs/dbraw/zinc/01/73/96/263017396.db2.gz KDUAIRWUNZRXTJ-LBPRGKRZSA-N 0 1 250.342 2.805 20 30 CFEDMN C[C@@H](C#N)CN(C)CCCc1ccc2c(c1)CCO2 ZINC000280802240 263064448 /nfs/dbraw/zinc/06/44/48/263064448.db2.gz IMACRBGXMZKDNA-ZDUSSCGKSA-N 0 1 258.365 2.646 20 30 CFEDMN C[C@@H]1CN(c2cccc(F)c2)CCN1CCCC#N ZINC000292107787 263128385 /nfs/dbraw/zinc/12/83/85/263128385.db2.gz GQZDPSGSCDZFIQ-CYBMUJFWSA-N 0 1 261.344 2.640 20 30 CFEDMN C=CCN(CCC#N)C(=O)c1cc(C2CCCCC2)[nH]n1 ZINC000292326425 263131080 /nfs/dbraw/zinc/13/10/80/263131080.db2.gz KNBRWZFTISOWQU-UHFFFAOYSA-N 0 1 286.379 2.999 20 30 CFEDMN CC(C)CCN(CCC#N)C[C@H](O)Cc1ccc(F)cc1 ZINC000292902430 263136320 /nfs/dbraw/zinc/13/63/20/263136320.db2.gz WCQDMKGJMRAZII-QGZVFWFLSA-N 0 1 292.398 2.991 20 30 CFEDMN CC(C)(C)CN(CCC#N)C[C@@H](O)Cc1ccc(F)cc1 ZINC000292985116 263136841 /nfs/dbraw/zinc/13/68/41/263136841.db2.gz FOHPTHMKXBAROX-INIZCTEOSA-N 0 1 292.398 2.991 20 30 CFEDMN CC[C@@](C)(NCCOCCC#N)c1nc(C)cs1 ZINC000293734397 263148075 /nfs/dbraw/zinc/14/80/75/263148075.db2.gz GYZNOYNSYNCOKA-CYBMUJFWSA-N 0 1 267.398 2.597 20 30 CFEDMN Cc1nc2sccn2c1C[N@H+](C)[C@H]1CC[C@@H](C#N)C1 ZINC000293902594 263151973 /nfs/dbraw/zinc/15/19/73/263151973.db2.gz WGZRDERBMDGURF-NEPJUHHUSA-N 0 1 274.393 2.828 20 30 CFEDMN Cc1nc2sccn2c1CN(C)[C@H]1CC[C@@H](C#N)C1 ZINC000293902594 263151975 /nfs/dbraw/zinc/15/19/75/263151975.db2.gz WGZRDERBMDGURF-NEPJUHHUSA-N 0 1 274.393 2.828 20 30 CFEDMN Cc1ccc(N2CCN([C@H]3CC[C@@H](C#N)C3)CC2)cc1 ZINC000294369830 263160472 /nfs/dbraw/zinc/16/04/72/263160472.db2.gz AYWWEKXZRHZBDG-WBVHZDCISA-N 0 1 269.392 2.809 20 30 CFEDMN C[C@@H](NCCOCCC#N)c1cccc(F)c1F ZINC000294603859 263164385 /nfs/dbraw/zinc/16/43/85/263164385.db2.gz NULSFUJBEGMPEI-SNVBAGLBSA-N 0 1 254.280 2.546 20 30 CFEDMN N#C[C@]1(C(=O)Nc2ncc(C(F)(F)F)[nH]2)CC12CCCC2 ZINC000294820725 263168108 /nfs/dbraw/zinc/16/81/08/263168108.db2.gz CTCWZNBNGLCURR-LBPRGKRZSA-N 0 1 298.268 2.841 20 30 CFEDMN CCCCCCC[C@@H](C)N[C@@H](C(N)=O)c1ccccn1 ZINC000295156412 263173398 /nfs/dbraw/zinc/17/33/98/263173398.db2.gz RRYAWVQKPMXACJ-UKRRQHHQSA-N 0 1 277.412 2.947 20 30 CFEDMN CCCN(CC#N)Cc1cc(Cl)c(F)cc1O ZINC000295422844 263177186 /nfs/dbraw/zinc/17/71/86/263177186.db2.gz SKHFHCRIVVPIMQ-UHFFFAOYSA-N 0 1 256.708 2.920 20 30 CFEDMN Cc1ccc(N2CCN([C@H](C)CCC#N)CC2)cc1 ZINC000298995708 263228655 /nfs/dbraw/zinc/22/86/55/263228655.db2.gz QBYMZQBLTIQLLE-OAHLLOKOSA-N 0 1 257.381 2.809 20 30 CFEDMN CCN(CCC#N)C(=O)CN(C)[C@@H](C)c1ccccc1C ZINC000299089095 263230561 /nfs/dbraw/zinc/23/05/61/263230561.db2.gz YXFONONYKBLOEP-HNNXBMFYSA-N 0 1 287.407 2.750 20 30 CFEDMN CC(C)[C@](C)(C#N)NC(=O)CN1CC[C@@H](c2ccccc2)C1 ZINC000299317134 263238675 /nfs/dbraw/zinc/23/86/75/263238675.db2.gz JGTMLCBMARVDRJ-AEFFLSMTSA-N 0 1 299.418 2.530 20 30 CFEDMN COC(=O)c1ccc2c(c1)CN([C@H](C)CCC#N)CC2 ZINC000299675493 263252377 /nfs/dbraw/zinc/25/23/77/263252377.db2.gz MOIPNEJEJWZYGO-GFCCVEGCSA-N 0 1 272.348 2.524 20 30 CFEDMN CCC[C@@H]1CCC[N@H+]([C@@H](C)C(=O)N[C@@](C)(C#N)C(C)C)C1 ZINC000120862215 263286765 /nfs/dbraw/zinc/28/67/65/263286765.db2.gz DTLPZJUJPCQKAV-UXLLHSPISA-N 0 1 293.455 2.941 20 30 CFEDMN CC(=O)c1ccc(C(=O)C(C#N)c2cc(C)nc(C)n2)cc1 ZINC000340887753 263312062 /nfs/dbraw/zinc/31/20/62/263312062.db2.gz XIIMKGXURDIKMN-OAHLLOKOSA-N 0 1 293.326 2.786 20 30 CFEDMN C=CCOc1ccccc1CN1CCOCC2(CC2)C1 ZINC000341521455 263341868 /nfs/dbraw/zinc/34/18/68/263341868.db2.gz BZHGLPCIYGPQSB-UHFFFAOYSA-N 0 1 273.376 2.864 20 30 CFEDMN C=C(C)CN(CC)C(=O)CNC1(c2ccc(F)cc2)CC1 ZINC000341692004 263346305 /nfs/dbraw/zinc/34/63/05/263346305.db2.gz DJSKOAOCUFBITO-UHFFFAOYSA-N 0 1 290.382 2.829 20 30 CFEDMN C=CCC[C@@H](NC[C@H]1CCCCS1(=O)=O)c1ccco1 ZINC000353674026 263371034 /nfs/dbraw/zinc/37/10/34/263371034.db2.gz RASWFUMWCLDQNF-ZIAGYGMSSA-N 0 1 297.420 2.844 20 30 CFEDMN COCC1(C#N)CCN(Cc2ccc(F)cc2C)CC1 ZINC000341969318 263371806 /nfs/dbraw/zinc/37/18/06/263371806.db2.gz BTTGQADXLBFSQA-UHFFFAOYSA-N 0 1 276.355 2.886 20 30 CFEDMN C=C(C)C[C@H](C)C(=O)N1C[C@@H](C)N(CC)C[C@@H]1C ZINC000342009816 263377217 /nfs/dbraw/zinc/37/72/17/263377217.db2.gz BVIFGNKPFCRAIQ-MJBXVCDLSA-N 0 1 252.402 2.530 20 30 CFEDMN C=CCc1cc(CN[C@H](C)CF)cc(OC)c1O ZINC000342196421 263398892 /nfs/dbraw/zinc/39/88/92/263398892.db2.gz FGRASLPYGPVAGJ-SNVBAGLBSA-N 0 1 253.317 2.577 20 30 CFEDMN C=CC(C)(C)C(=O)N[C@H](C)c1n[nH]c([C@@H](C)CC)n1 ZINC000331318154 264188742 /nfs/dbraw/zinc/18/87/42/264188742.db2.gz JVFHKJCLSOJOTP-VHSXEESVSA-N 0 1 264.373 2.708 20 30 CFEDMN CC[C@]1(C)CCCN(CC(=O)N[C@@](C)(C#N)C(C)C)C1 ZINC000075999417 264335403 /nfs/dbraw/zinc/33/54/03/264335403.db2.gz ADLKCRDSEANRDU-CVEARBPZSA-N 0 1 279.428 2.553 20 30 CFEDMN C=CCCCN(C)CC(=O)Nc1cc(F)ccc1F ZINC000076736262 264342898 /nfs/dbraw/zinc/34/28/98/264342898.db2.gz LFPAIRCKUDMOTE-UHFFFAOYSA-N 0 1 268.307 2.801 20 30 CFEDMN C=CCCCN(C)[C@@H](C)C(=O)Nc1ccccc1[N+](=O)[O-] ZINC000076736217 264343026 /nfs/dbraw/zinc/34/30/26/264343026.db2.gz OKQXCMDKXWQKFI-LBPRGKRZSA-N 0 1 291.351 2.820 20 30 CFEDMN C=C[C@H](CC(=O)N[C@H](C)c1n[nH]c(C)n1)c1ccccc1 ZINC000286534385 264586779 /nfs/dbraw/zinc/58/67/79/264586779.db2.gz YTSKXZPIVOMPRA-DGCLKSJQSA-N 0 1 284.363 2.650 20 30 CFEDMN C=CC[C@H](CO)CN[C@H](C)c1nc(C(F)(F)F)cs1 ZINC000343849649 265049347 /nfs/dbraw/zinc/04/93/47/265049347.db2.gz PQYOWHABUUKFQX-BDAKNGLRSA-N 0 1 294.342 2.997 20 30 CFEDMN N#Cc1csc(CNCc2cccc3c2OCO3)c1 ZINC000093492508 265184044 /nfs/dbraw/zinc/18/40/44/265184044.db2.gz NAKABXLYJMPYSR-UHFFFAOYSA-N 0 1 272.329 2.638 20 30 CFEDMN N#Cc1ccncc1N1CCN([C@@H]2C=CCCCCC2)CC1 ZINC000514617865 266020941 /nfs/dbraw/zinc/02/09/41/266020941.db2.gz PEWXUZPRWSMHCD-QGZVFWFLSA-N 0 1 296.418 2.964 20 30 CFEDMN CC#CCN1CCC[C@@H](Oc2ccccc2OC)C1 ZINC000353261057 266037001 /nfs/dbraw/zinc/03/70/01/266037001.db2.gz PXINXUHZARZLQL-CQSZACIVSA-N 0 1 259.349 2.562 20 30 CFEDMN C=C(C)C[C@H](C)C(=O)N[C@@H](Cc1nc[nH]n1)c1ccccc1 ZINC000356556700 266137693 /nfs/dbraw/zinc/13/76/93/266137693.db2.gz QYFDOTYWPKOZQK-ZFWWWQNUSA-N 0 1 298.390 2.807 20 30 CFEDMN CCN(Cc1cnn(C)c1)[C@@H](C)c1ccc(C#N)cc1 ZINC000195084780 266138429 /nfs/dbraw/zinc/13/84/29/266138429.db2.gz XKYMKEVRYAVDPA-ZDUSSCGKSA-N 0 1 268.364 2.875 20 30 CFEDMN C[C@@H]1[C@@H](C)N(C(=O)C[C@H](CC#N)c2ccccc2)CCN1C ZINC000356650048 266154561 /nfs/dbraw/zinc/15/45/61/266154561.db2.gz HLKJQLICOOOQBW-INMHGKMJSA-N 0 1 299.418 2.625 20 30 CFEDMN C=CCCC[C@@H](C)NC(=O)c1cc(O)cc([N+](=O)[O-])c1 ZINC000356792811 266175647 /nfs/dbraw/zinc/17/56/47/266175647.db2.gz VGAUGWVPRBNLCM-SNVBAGLBSA-N 0 1 278.308 2.775 20 30 CFEDMN C=CCCC1(C(=O)NCCN2CC=C(C)CC2)CC1 ZINC000356822972 266180594 /nfs/dbraw/zinc/18/05/94/266180594.db2.gz PHSQVADGROBMIZ-UHFFFAOYSA-N 0 1 262.397 2.501 20 30 CFEDMN N#C[C@@H](c1ccccc1)[C@H]1CCCN1CCn1ccnc1 ZINC000362727376 267039689 /nfs/dbraw/zinc/03/96/89/267039689.db2.gz RRUQNGDNKZXOPB-DLBZAZTESA-N 0 1 280.375 2.655 20 30 CFEDMN COCCCN1CCC[C@H]1[C@@H](C#N)c1ccccc1 ZINC000363285788 267084650 /nfs/dbraw/zinc/08/46/50/267084650.db2.gz SQMHBJWGFQYIDO-HOTGVXAUSA-N 0 1 258.365 2.795 20 30 CFEDMN COc1cc(F)ccc1N1CCN(CCCCC#N)CC1 ZINC000115550802 267099813 /nfs/dbraw/zinc/09/98/13/267099813.db2.gz WLCDFEIATSYAOW-UHFFFAOYSA-N 0 1 291.370 2.650 20 30 CFEDMN C#CCN[C@H](c1ccc(OC)cc1)c1ccc2c(c1)CCO2 ZINC000368766960 267202945 /nfs/dbraw/zinc/20/29/45/267202945.db2.gz VVNWDURKOTYMON-LJQANCHMSA-N 0 1 293.366 2.942 20 30 CFEDMN C#CCCN[C@H](c1cnn(C)c1)c1ccc(F)c(Cl)c1 ZINC000368792499 267205302 /nfs/dbraw/zinc/20/53/02/267205302.db2.gz PEEQALOYQSVNTN-HNNXBMFYSA-N 0 1 291.757 2.915 20 30 CFEDMN C[C@@H]1CC[C@H](CN2CCC(C#N)(c3ccccn3)CC2)O1 ZINC000369205706 267226460 /nfs/dbraw/zinc/22/64/60/267226460.db2.gz KLQXDSPQAHPEHS-HUUCEWRRSA-N 0 1 285.391 2.506 20 30 CFEDMN CN(C(=O)CN1CCC2(CC2)CC1)C1(C#N)CCCCC1 ZINC000370269916 267305357 /nfs/dbraw/zinc/30/53/57/267305357.db2.gz GKQQLHYZOFDOKZ-UHFFFAOYSA-N 0 1 289.423 2.547 20 30 CFEDMN C=CCN(CC)[C@@H](C)C(=O)N1CCc2sccc2C1 ZINC000371225997 267374675 /nfs/dbraw/zinc/37/46/75/267374675.db2.gz PHFAGNVGFDADRX-LBPRGKRZSA-N 0 1 278.421 2.529 20 30 CFEDMN C=CCCC(=O)NCC1(C)CN(Cc2ccccc2)C1 ZINC000372307369 267543725 /nfs/dbraw/zinc/54/37/25/267543725.db2.gz DXRNFWRHODBHBQ-UHFFFAOYSA-N 0 1 272.392 2.591 20 30 CFEDMN CCN1CCN(Cc2ccc(C#N)cc2C(F)(F)F)CC1 ZINC000356071067 273663293 /nfs/dbraw/zinc/66/32/93/273663293.db2.gz ZDVVKEYKNKVRAE-UHFFFAOYSA-N 0 1 297.324 2.715 20 30 CFEDMN Cc1ccc2ncc(C#N)c(N3C[C@@H](C)N(C)[C@H](C)C3)c2c1 ZINC000338796340 274785796 /nfs/dbraw/zinc/78/57/96/274785796.db2.gz RUGUHWOABQCSOB-ZIAGYGMSSA-N 0 1 294.402 2.944 20 30 CFEDMN O[C@H]1CCCN(CC#Cc2cccc(Cl)c2)CC1 ZINC000293027744 275058597 /nfs/dbraw/zinc/05/85/97/275058597.db2.gz FZNIDWYUIQPIAC-HNNXBMFYSA-N 0 1 263.768 2.538 20 30 CFEDMN CCN1C[C@H](C)N(c2ncc(Cl)c(C)c2C#N)C[C@H]1C ZINC000343482329 276251307 /nfs/dbraw/zinc/25/13/07/276251307.db2.gz WDVYOFBWVHBZPJ-MNOVXSKESA-N 0 1 292.814 2.834 20 30 CFEDMN C=C[C@@H](CO)N[C@H](C)c1oc2ccc(OC)cc2c1C ZINC000353581043 276914629 /nfs/dbraw/zinc/91/46/29/276914629.db2.gz YIESWQJGEUTWCB-NEPJUHHUSA-N 0 1 275.348 2.947 20 30 CFEDMN CN1CCCC[C@@H]1C(=O)NC[C@H]1CCO[C@@H]1C(C)(C)C ZINC000328614085 277042919 /nfs/dbraw/zinc/04/29/19/277042919.db2.gz VGANXMRHTUCOQL-MCIONIFRSA-N 0 1 282.428 2.878 20 30 CFEDMN CC(C)(C)C[C@@H]1CCN([C@@H](C(N)=O)c2ccc(C#N)cc2)C1 ZINC000452079933 277147854 /nfs/dbraw/zinc/14/78/54/277147854.db2.gz OELIHXJYZRQNPZ-GOEBONIOSA-N 0 1 299.418 2.843 20 30 CFEDMN CC(C)(C)[C@@H]1CCN(C(=O)N[C@@H]2CCc3nc[nH]c3C2)C1 ZINC000329604397 277232202 /nfs/dbraw/zinc/23/22/02/277232202.db2.gz LSLUFAIGKFOEHD-VXGBXAGGSA-N 0 1 290.411 2.549 20 30 CFEDMN CC(C)(C#N)CCN1CCOC2(CCCCC2)C1 ZINC000336553472 278257416 /nfs/dbraw/zinc/25/74/16/278257416.db2.gz HMRAUWRYUHUYFJ-UHFFFAOYSA-N 0 1 250.386 2.961 20 30 CFEDMN N#Cc1cccc(C2(NCC(=O)NC3CCCCC3)CC2)c1 ZINC000560174066 282017480 /nfs/dbraw/zinc/01/74/80/282017480.db2.gz JNJOZOQWOINDDB-UHFFFAOYSA-N 0 1 297.402 2.586 20 30 CFEDMN CCCCNC(=O)[C@H](C)N[C@@H](C)c1ccc(C#N)cc1 ZINC000037502338 289822543 /nfs/dbraw/zinc/82/25/43/289822543.db2.gz VHGZGHKXVZJHCK-STQMWFEESA-N 0 1 273.380 2.514 20 30 CFEDMN CCC[C@H](C)[C@H](CO)NCc1ccc(F)cc1C#N ZINC000566304237 290369622 /nfs/dbraw/zinc/36/96/22/290369622.db2.gz MKPJCUWRFNFSER-NHYWBVRUSA-N 0 1 264.344 2.584 20 30 CFEDMN C[C@H]([NH2+]Cc1cc(C#N)cs1)c1ncc(C(=O)[O-])s1 ZINC000568392667 290551446 /nfs/dbraw/zinc/55/14/46/290551446.db2.gz UZUKRLSBBCCILC-ZETCQYMHSA-N 0 1 293.373 2.625 20 30 CFEDMN Cc1ccnc(N2CCN(C)C[C@@H]2c2ccccc2)c1C#N ZINC000273037742 302272525 /nfs/dbraw/zinc/27/25/25/302272525.db2.gz OFARVNGEERVJMP-QGZVFWFLSA-N 0 1 292.386 2.755 20 30 CFEDMN N#Cc1ccc(C[N@@H+]2CCC[C@@H]2C(=O)[O-])c(C(F)(F)F)c1 ZINC000414687224 303190765 /nfs/dbraw/zinc/19/07/65/303190765.db2.gz WSHOUHICSOKIMG-GFCCVEGCSA-N 0 1 298.264 2.626 20 30 CFEDMN CC(C)(CO)[C@H](CNC[C@H](C#N)CCC#N)c1ccccc1 ZINC000562997825 327739824 /nfs/dbraw/zinc/73/98/24/327739824.db2.gz XOTLTWYIRUUWRR-DOTOQJQBSA-N 0 1 299.418 2.822 20 30 CFEDMN CCOC(=O)[C@@H](CC(C)C)N1CCC(CCC#N)CC1 ZINC000563067587 327870702 /nfs/dbraw/zinc/87/07/02/327870702.db2.gz HMXPRUALMOEPDN-OAHLLOKOSA-N 0 1 280.412 2.980 20 30 CFEDMN N#CCC[C@@H](C#N)CN[C@@H]1C[C@H]1c1ccccc1F ZINC000582171724 328605296 /nfs/dbraw/zinc/60/52/96/328605296.db2.gz OYVQSUHHAYKSRT-CORIIIEPSA-N 0 1 257.312 2.715 20 30 CFEDMN C=CCCCCN1CCN([C@@H](C)C(F)(F)F)CC1 ZINC000571135711 328087901 /nfs/dbraw/zinc/08/79/01/328087901.db2.gz AAYQMEPFIHDESJ-LBPRGKRZSA-N 0 1 264.335 2.911 20 30 CFEDMN C[C@@H]1c2ccsc2CCN1CCOCCC#N ZINC000293381882 328095239 /nfs/dbraw/zinc/09/52/39/328095239.db2.gz GGQCCMSEYSXYFG-LLVKDONJSA-N 0 1 250.367 2.597 20 30 CFEDMN COc1ccsc1CNCc1ccc(OCC#N)cc1 ZINC000268764093 328185630 /nfs/dbraw/zinc/18/56/30/328185630.db2.gz AZTYFDMSXJRJSK-UHFFFAOYSA-N 0 1 288.372 2.949 20 30 CFEDMN COc1cc2c(cc1OC)CN([C@@H]1CC[C@H](C#N)C1)CC2 ZINC000278591656 328227704 /nfs/dbraw/zinc/22/77/04/328227704.db2.gz LDPYMLSJPPUKTF-SWLSCSKDSA-N 0 1 286.375 2.754 20 30 CFEDMN Cc1cccc(N2CCN([C@H]3CC[C@H](C#N)C3)CC2)c1 ZINC000278699948 328229962 /nfs/dbraw/zinc/22/99/62/328229962.db2.gz SWYWHTXAXQKVFO-RDJZCZTQSA-N 0 1 269.392 2.809 20 30 CFEDMN CCC(C)(C)N(CCC#N)C(=O)c1ccc2cncn2c1 ZINC000285126790 328247067 /nfs/dbraw/zinc/24/70/67/328247067.db2.gz XQPGHDXTLZUQPG-UHFFFAOYSA-N 0 1 284.363 2.879 20 30 CFEDMN CCc1nn(C)c(CC)c1CNCc1cc(C#N)cs1 ZINC000169266209 322390570 /nfs/dbraw/zinc/39/05/70/322390570.db2.gz UQTYFHSMSYSDRZ-UHFFFAOYSA-N 0 1 288.420 2.768 20 30 CFEDMN C[C@H](NCc1ccc(C#N)cn1)[C@H]1OCCc2sccc21 ZINC000569500451 322477548 /nfs/dbraw/zinc/47/75/48/322477548.db2.gz JPJHKIOZYIHGKJ-MEDUHNTESA-N 0 1 299.399 2.807 20 30 CFEDMN COc1cc(CN[C@@H](C)c2cncnc2C)ccc1C#N ZINC000571296930 322578462 /nfs/dbraw/zinc/57/84/62/322578462.db2.gz CXDXNQONABMTOP-NSHDSACASA-N 0 1 282.347 2.516 20 30 CFEDMN CC1CC(C#N)(C(=O)N2CCN(CCC(C)(C)C)CC2)C1 ZINC000532065412 328442973 /nfs/dbraw/zinc/44/29/73/328442973.db2.gz DJOBMVLCPQNPLM-UHFFFAOYSA-N 0 1 291.439 2.507 20 30 CFEDMN N#Cc1ccc(-c2nc(-c3ccn4cncc4c3)no2)cc1 ZINC000351064607 324302572 /nfs/dbraw/zinc/30/25/72/324302572.db2.gz AFBRIXLSRSPZBV-UHFFFAOYSA-N 0 1 287.282 2.923 20 30 CFEDMN CCC[C@]1(CO)CC[N@@H+](Cc2cc(C#N)cs2)C1 ZINC000580602260 325049939 /nfs/dbraw/zinc/04/99/39/325049939.db2.gz CPIFIRVFNZNZNC-AWEZNQCLSA-N 0 1 264.394 2.604 20 30 CFEDMN N#Cc1c(NCCN2CCSCC2)cccc1C(F)F ZINC000581081843 325089304 /nfs/dbraw/zinc/08/93/04/325089304.db2.gz GGMYLURUHJJUOB-UHFFFAOYSA-N 0 1 297.374 2.957 20 30 CFEDMN C=C[C@H](CC(=O)N1CCNC[C@H]1CCC)c1ccccc1 ZINC000583502951 328587278 /nfs/dbraw/zinc/58/72/78/328587278.db2.gz KTKAMAWTZLQNBF-NVXWUHKLSA-N 0 1 286.419 2.947 20 30 CFEDMN C=C(C)CCNCc1ncc(Br)s1 ZINC000449471387 330928369 /nfs/dbraw/zinc/92/83/69/330928369.db2.gz COAPDRUXRFRPCR-UHFFFAOYSA-N 0 1 261.188 2.961 20 30 CFEDMN N#CCC[C@H](C#N)CN[C@@H]1C[C@@H]1c1cccc(F)c1 ZINC000558506458 327099406 /nfs/dbraw/zinc/09/94/06/327099406.db2.gz TWANNVDQFAWKJK-KCPJHIHWSA-N 0 1 257.312 2.715 20 30 CFEDMN COc1ccc(CNCC(C)(C)CC#N)c(F)c1 ZINC000573125350 327100819 /nfs/dbraw/zinc/10/08/19/327100819.db2.gz CSDLVTZFRSKJNR-UHFFFAOYSA-N 0 1 250.317 2.864 20 30 CFEDMN C=C[C@H]1CCCCN1Cc1cc(C(=O)OC)oc1C ZINC000559036208 327138612 /nfs/dbraw/zinc/13/86/12/327138612.db2.gz WSXPTMCUKQFCOE-ZDUSSCGKSA-N 0 1 263.337 2.915 20 30 CFEDMN N#CCCN(CCN1CCOCC1)CC1CCCCCC1 ZINC000154803322 327386967 /nfs/dbraw/zinc/38/69/67/327386967.db2.gz LJXMFNKLCKUNPS-UHFFFAOYSA-N 0 1 293.455 2.505 20 30 CFEDMN C#Cc1ccc(CN[C@H](c2nnc[nH]2)c2ccccc2)cc1 ZINC000377614836 329020284 /nfs/dbraw/zinc/02/02/84/329020284.db2.gz JYCUHSHLEMTOIE-KRWDZBQOSA-N 0 1 288.354 2.665 20 30 CFEDMN C#Cc1ccc(CN[C@@H](c2nnc[nH]2)c2ccccc2)cc1 ZINC000377614837 329020556 /nfs/dbraw/zinc/02/05/56/329020556.db2.gz JYCUHSHLEMTOIE-QGZVFWFLSA-N 0 1 288.354 2.665 20 30 CFEDMN C#Cc1ccc(CN2C[C@@H](CC)O[C@]3(CCCOC3)C2)cc1 ZINC000377703179 329025857 /nfs/dbraw/zinc/02/58/57/329025857.db2.gz VZWPHEKKVOLROI-RTBURBONSA-N 0 1 299.414 2.828 20 30 CFEDMN C=CCNC(=O)[C@@H](C)N1CCC(c2cccc(F)c2)CC1 ZINC000377990132 329036565 /nfs/dbraw/zinc/03/65/65/329036565.db2.gz HILJYFHTNDFQAZ-CYBMUJFWSA-N 0 1 290.382 2.696 20 30 CFEDMN C=C(C)CN(C)[C@@H](C)C(=O)N(C)Cc1cccc(F)c1 ZINC000181245017 329227409 /nfs/dbraw/zinc/22/74/09/329227409.db2.gz BBHFFCXJJRCZQN-ZDUSSCGKSA-N 0 1 278.371 2.681 20 30 CFEDMN C=C(C)CN(C)[C@@H]1CCN(c2cccc(Cl)c2)C1=O ZINC000181277217 329229174 /nfs/dbraw/zinc/22/91/74/329229174.db2.gz LMUKXHOENYHDRK-CQSZACIVSA-N 0 1 278.783 2.953 20 30 CFEDMN C=C(C)CN(C)[C@H](C)C(=O)N[C@H](C)c1ccccc1 ZINC000181305999 329230797 /nfs/dbraw/zinc/23/07/97/329230797.db2.gz ZNWSQZABHWIHMS-ZIAGYGMSSA-N 0 1 260.381 2.760 20 30 CFEDMN C=CCCC[C@H](C)NC(=O)[C@H]1CCCc2[nH]ncc21 ZINC000182590266 329243161 /nfs/dbraw/zinc/24/31/61/329243161.db2.gz NDJIXCFGGOKGDV-RYUDHWBXSA-N 0 1 261.369 2.691 20 30 CFEDMN CC#CCCN1CCN([C@@H](C)c2cccc(OC)c2)CC1 ZINC000185016486 329264710 /nfs/dbraw/zinc/26/47/10/329264710.db2.gz AUCJJPDPINQNNO-INIZCTEOSA-N 0 1 286.419 2.787 20 30 CFEDMN C=C(CC)C[N@H+]1C[C@@H](C(=O)[O-])[C@@H](c2ccccc2)C1 ZINC000582851644 329280060 /nfs/dbraw/zinc/28/00/60/329280060.db2.gz QZIUPRMFMRLSPR-HUUCEWRRSA-N 0 1 259.349 2.753 20 30 CFEDMN CC[C@@H](CC#N)NCCC(=O)N[C@H]1CCCc2ccccc21 ZINC000582853639 329280349 /nfs/dbraw/zinc/28/03/49/329280349.db2.gz BWDSYLFPVMUKEY-RDJZCZTQSA-N 0 1 299.418 2.852 20 30 CFEDMN C=CCN(Cc1ccccc1)C(=O)[C@@H](C)N1CC(C)C1 ZINC000583100357 329315792 /nfs/dbraw/zinc/31/57/92/329315792.db2.gz MXYKXNFLQLBDGM-OAHLLOKOSA-N 0 1 272.392 2.541 20 30 CFEDMN CN(C(=O)CN1CCCC2(CC2)C1)C1(C#N)CCCCC1 ZINC000186980766 329352624 /nfs/dbraw/zinc/35/26/24/329352624.db2.gz IIDPSSPASYBQFH-UHFFFAOYSA-N 0 1 289.423 2.547 20 30 CFEDMN CCCN(C)CC(=O)N(CCC#N)c1cccc(C)c1C ZINC000063755987 329399439 /nfs/dbraw/zinc/39/94/39/329399439.db2.gz TVJXUWMSAKUMLR-UHFFFAOYSA-N 0 1 287.407 2.892 20 30 CFEDMN C(#Cc1ccccc1)CN1CCC(OC[C@@H]2CCCO2)CC1 ZINC000192064208 329426045 /nfs/dbraw/zinc/42/60/45/329426045.db2.gz RIHFDUXAMXZXIT-IBGZPJMESA-N 0 1 299.414 2.698 20 30 CFEDMN COc1cccc(CN2CCC(CCC#N)CC2)n1 ZINC000399428923 329453143 /nfs/dbraw/zinc/45/31/43/329453143.db2.gz YBJPDUYNWYTBQZ-UHFFFAOYSA-N 0 1 259.353 2.606 20 30 CFEDMN C=CCNc1nc(C(F)(F)F)c(Br)s1 ZINC000418807817 329564361 /nfs/dbraw/zinc/56/43/61/329564361.db2.gz KGFHFXJZXCGDRD-UHFFFAOYSA-N 0 1 287.104 2.944 20 30 CFEDMN CC(C)c1nc2n(n1)CCC[C@@H]2N[C@H]1CCC[C@@H](C#N)C1 ZINC000248827205 329900126 /nfs/dbraw/zinc/90/01/26/329900126.db2.gz GNZDEWXZBAUUHZ-RDBSUJKOSA-N 0 1 287.411 2.908 20 30 CFEDMN CC(C)OC1CCN(CC#Cc2ccccc2)CC1 ZINC000571828207 329923617 /nfs/dbraw/zinc/92/36/17/329923617.db2.gz WIVHIENWLHPJHS-UHFFFAOYSA-N 0 1 257.377 2.928 20 30 CFEDMN [NH2+]=C(NCc1ncccc1[O-])Nc1cccc2c1CCCC2 ZINC000262439162 330013068 /nfs/dbraw/zinc/01/30/68/330013068.db2.gz HDEUKRWWECMVOW-UHFFFAOYSA-N 0 1 296.374 2.593 20 30 CFEDMN C=CCOc1cccc(C[N@H+](CC(=O)[O-])C(C)C)c1 ZINC000263536619 330059207 /nfs/dbraw/zinc/05/92/07/330059207.db2.gz ZPEIKRSLVBNMJR-UHFFFAOYSA-N 0 1 263.337 2.546 20 30 CFEDMN C=C[C@H](CO)N[C@H](C)c1ccc(Cl)cc1OC ZINC000421853835 330088525 /nfs/dbraw/zinc/08/85/25/330088525.db2.gz KIDWBPVPMNEKOW-MWLCHTKSSA-N 0 1 255.745 2.546 20 30 CFEDMN C=C(C)[C@H](Cc1nc(C2(N)CCCCC2)no1)OCC ZINC000424349896 330345254 /nfs/dbraw/zinc/34/52/54/330345254.db2.gz WTUGCTDIZAIFKI-LBPRGKRZSA-N 0 1 279.384 2.711 20 30 CFEDMN C=CCCCN1CCN(C(=O)NC2CCCCC2)CC1 ZINC000117872613 330366135 /nfs/dbraw/zinc/36/61/35/330366135.db2.gz MNXXZBCTASVSBJ-UHFFFAOYSA-N 0 1 279.428 2.613 20 30 CFEDMN C=C[C@@H]1OCC[C@H]1NCc1nc2c(s1)C[C@@H](C)CC2 ZINC000449518163 330933133 /nfs/dbraw/zinc/93/31/33/330933133.db2.gz INOOJRVQCZVGDA-LOWVWBTDSA-N 0 1 278.421 2.701 20 30 CFEDMN N#CC1(CN2CCN(CCc3ccccc3)CC2)CCC1 ZINC000450230229 330967560 /nfs/dbraw/zinc/96/75/60/330967560.db2.gz ZQUUFYCMOVBZRV-UHFFFAOYSA-N 0 1 283.419 2.541 20 30 CFEDMN C=CCN1C(=O)N=NC1SCc1oc(CCC)nc1C ZINC000450871343 331004000 /nfs/dbraw/zinc/00/40/00/331004000.db2.gz NCDDVGRWFJDPAQ-UHFFFAOYSA-N 0 1 294.380 2.711 20 30 CFEDMN C[C@@H](NCC1(C#N)CCC1)c1ccc2n[nH]cc2c1 ZINC000450991343 331010802 /nfs/dbraw/zinc/01/08/02/331010802.db2.gz MKAMDFMXXOXOPF-LLVKDONJSA-N 0 1 254.337 2.907 20 30 CFEDMN COCCN(CC1(C#N)CCC1)[C@@H]1CCCSC1 ZINC000451062161 331014317 /nfs/dbraw/zinc/01/43/17/331014317.db2.gz CYWVLVNQNCNIMJ-CYBMUJFWSA-N 0 1 268.426 2.524 20 30 CFEDMN CC(C)(C#N)CCN1C[C@@H](c2ccccc2)[C@@](F)(CO)C1 ZINC000451288378 331023337 /nfs/dbraw/zinc/02/33/37/331023337.db2.gz VLMJMPZIJHFJPN-RDJZCZTQSA-N 0 1 290.382 2.726 20 30 CFEDMN C=CCC1(C(=O)NCCN2CC=CCC2)CCCCC1 ZINC000451356000 331025443 /nfs/dbraw/zinc/02/54/43/331025443.db2.gz WNHGHXIBBAYECZ-UHFFFAOYSA-N 0 1 276.424 2.891 20 30 CFEDMN C=CC[C@@H](C)N[C@@H](c1cn[nH]n1)c1ccc(F)cc1 ZINC000453149388 331094437 /nfs/dbraw/zinc/09/44/37/331094437.db2.gz SNVZDRFTGWJMGB-QMTHXVAHSA-N 0 1 260.316 2.587 20 30 CFEDMN C=C(CC)CN[C@@H](c1c[nH]nn1)c1ccc(F)cc1 ZINC000453363344 331122780 /nfs/dbraw/zinc/12/27/80/331122780.db2.gz OCMXUMBIDFVEEA-CQSZACIVSA-N 0 1 260.316 2.589 20 30 CFEDMN C=C(CC)CNC(=O)NCc1nc2cccc(C)c2[nH]1 ZINC000454757837 331152915 /nfs/dbraw/zinc/15/29/15/331152915.db2.gz WXBAZWOTIHMODH-UHFFFAOYSA-N 0 1 272.352 2.637 20 30 CFEDMN C=CCC1(CNC(=O)CN(CC)C2CC2)CCCC1 ZINC000456489629 331194070 /nfs/dbraw/zinc/19/40/70/331194070.db2.gz UXJOYNPOBLKPCV-UHFFFAOYSA-N 0 1 264.413 2.723 20 30 CFEDMN C=C(C)C[C@H](C)C(=O)N1CCN([C@@H](C)CC)CC1 ZINC000456521033 331195010 /nfs/dbraw/zinc/19/50/10/331195010.db2.gz BXUPJGRFOBNRSX-KBPBESRZSA-N 0 1 252.402 2.531 20 30 CFEDMN C=CCCC1(C(=O)N2CCN([C@@H](C)CC)CC2)CC1 ZINC000456534211 331195192 /nfs/dbraw/zinc/19/51/92/331195192.db2.gz SITPWRDDGXCZCR-AWEZNQCLSA-N 0 1 264.413 2.676 20 30 CFEDMN C=CCC1(CNC(=O)N(C)CC[N@@H+](C)C2CC2)CCCC1 ZINC000459047190 331268241 /nfs/dbraw/zinc/26/82/41/331268241.db2.gz CGDNXQPKIDDIAN-UHFFFAOYSA-N 0 1 293.455 2.859 20 30 CFEDMN C=C[C@@H]1CCCCN1Cc1cc(=O)[nH]c(C2CC2)n1 ZINC000459425826 331280885 /nfs/dbraw/zinc/28/08/85/331280885.db2.gz MFKVVGHLSPZTNL-CYBMUJFWSA-N 0 1 259.353 2.600 20 30 CFEDMN N#C[C@@H]1CCC[C@@H]1NCCC(=O)Nc1cccc(Cl)c1 ZINC000459473954 331283591 /nfs/dbraw/zinc/28/35/91/331283591.db2.gz YEMSWYAJRDISQP-FZMZJTMJSA-N 0 1 291.782 2.950 20 30 CFEDMN C=CCCOCCCCC(=O)N1CC[N@@H+](C)[C@H](C(C)C)C1 ZINC000489318065 332046757 /nfs/dbraw/zinc/04/67/57/332046757.db2.gz APGUEDLWUUHMHH-INIZCTEOSA-N 0 1 296.455 2.548 20 30 CFEDMN C=CCCOCCCCC(=O)N1CCN(C)[C@H](C(C)C)C1 ZINC000489318065 332046759 /nfs/dbraw/zinc/04/67/59/332046759.db2.gz APGUEDLWUUHMHH-INIZCTEOSA-N 0 1 296.455 2.548 20 30 CFEDMN C=C[C@H]1CCCCN1CC[S@@](=O)c1ccccc1 ZINC000489469399 332054483 /nfs/dbraw/zinc/05/44/83/332054483.db2.gz BINUQWXPXIJCDX-KBXCAEBGSA-N 0 1 263.406 2.835 20 30 CFEDMN C=C[C@@H]1CCCCN1CC(=O)N1[C@H](C)CCC[C@@H]1C ZINC000489484869 332055796 /nfs/dbraw/zinc/05/57/96/332055796.db2.gz QFGVNBVFFLMALK-QLFBSQMISA-N 0 1 264.413 2.816 20 30 CFEDMN C#C[C@@H](C)N(C)C[C@@H](O)c1ccc(C(F)(F)F)cc1 ZINC000491473966 332218028 /nfs/dbraw/zinc/21/80/28/332218028.db2.gz IXNGTVYTKGGUFV-ZWNOBZJWSA-N 0 1 271.282 2.692 20 30 CFEDMN C#CCN(C)Cc1ccc(OCc2cccnc2)cc1 ZINC000491670047 332277364 /nfs/dbraw/zinc/27/73/64/332277364.db2.gz CYICNZRSYIICMX-UHFFFAOYSA-N 0 1 266.344 2.726 20 30 CFEDMN C#CCN1CCC(C(=O)N2CCC(C(C)(C)C)CC2)CC1 ZINC000172300910 335100100 /nfs/dbraw/zinc/10/01/00/335100100.db2.gz OXDGGVFVRDUSAV-UHFFFAOYSA-N 0 1 290.451 2.616 20 30 CFEDMN C#C[C@H](C)N(C)C(=O)[C@@H](c1ccccc1)N(CC)CC ZINC000491763804 332332649 /nfs/dbraw/zinc/33/26/49/332332649.db2.gz CCIQGHRNDNABSM-GOEBONIOSA-N 0 1 272.392 2.550 20 30 CFEDMN C=CCCCCCN1CC[N@@H+](CC(C)(C)O)[C@@H](C)C1 ZINC000193572119 333253432 /nfs/dbraw/zinc/25/34/32/333253432.db2.gz JVSPXPCJWGHLNI-HNNXBMFYSA-N 0 1 268.445 2.510 20 30 CFEDMN C#C[C@@H](CC)NCc1cccc(OC)c1OC(F)F ZINC000229890421 333311131 /nfs/dbraw/zinc/31/11/31/333311131.db2.gz HTWZXHPDBSTADH-NSHDSACASA-N 0 1 269.291 2.798 20 30 CFEDMN CC(C)N(CCC#N)C(=O)c1cc(-c2ccccc2)[nH]n1 ZINC000523375809 333324402 /nfs/dbraw/zinc/32/44/02/333324402.db2.gz IEQMXIXVVQBAQS-UHFFFAOYSA-N 0 1 282.347 2.841 20 30 CFEDMN C[C@@H](CC(=O)NC1(C#N)CCN(C)CC1)C1CCCCC1 ZINC000524686361 333371374 /nfs/dbraw/zinc/37/13/74/333371374.db2.gz PPZHACMKQXWAGC-AWEZNQCLSA-N 0 1 291.439 2.697 20 30 CFEDMN N#C[C@H]1CC[C@H](N2CCN(c3cccc4[nH]ccc43)CC2)C1 ZINC000528761142 333455988 /nfs/dbraw/zinc/45/59/88/333455988.db2.gz CWULVSJIZPULNI-GJZGRUSLSA-N 0 1 294.402 2.982 20 30 CFEDMN C#CCN1CCC(C(=O)Oc2ccc(Cl)cc2)CC1 ZINC000067140776 333634258 /nfs/dbraw/zinc/63/42/58/333634258.db2.gz IPAGXMXAQXSCHY-UHFFFAOYSA-N 0 1 277.751 2.591 20 30 CFEDMN C[C@@H]1CCCC[C@@H]1N(C)C(=O)CN1CCC(CC#N)CC1 ZINC000541024760 333759776 /nfs/dbraw/zinc/75/97/76/333759776.db2.gz POTHIZQBZIOYJY-ZBFHGGJFSA-N 0 1 291.439 2.649 20 30 CFEDMN C[C@H](CCC(C)(C)C)C(=O)NC1(C#N)CCN(C)CC1 ZINC000541598105 333783527 /nfs/dbraw/zinc/78/35/27/333783527.db2.gz ZYVKRIHBQCUACI-CYBMUJFWSA-N 0 1 279.428 2.553 20 30 CFEDMN C=CCn1c(C)cc(C(=O)C[N@@H+](C)CC2CC2)c1C ZINC000077194482 334098018 /nfs/dbraw/zinc/09/80/18/334098018.db2.gz WWJHYVPATXWRTQ-UHFFFAOYSA-N 0 1 260.381 2.815 20 30 CFEDMN C=CCn1c(C)cc(C(=O)CN(C)CC2CC2)c1C ZINC000077194482 334098020 /nfs/dbraw/zinc/09/80/20/334098020.db2.gz WWJHYVPATXWRTQ-UHFFFAOYSA-N 0 1 260.381 2.815 20 30 CFEDMN C=C[C@H](CC(=O)NC[C@@H]1CCC[N@@H+]1C)c1ccccc1 ZINC000134624303 334098053 /nfs/dbraw/zinc/09/80/53/334098053.db2.gz QZNOVDNQZGCRJP-ZBFHGGJFSA-N 0 1 272.392 2.557 20 30 CFEDMN COCCCN(CC#Cc1ccccc1Cl)CCOC ZINC000134999338 334111498 /nfs/dbraw/zinc/11/14/98/334111498.db2.gz OCOKJVBFSOYTBM-UHFFFAOYSA-N 0 1 295.810 2.676 20 30 CFEDMN CC(C)CCN(CCC#N)CCCSCC#N ZINC000080737938 334173265 /nfs/dbraw/zinc/17/32/65/334173265.db2.gz IWHXYNBGDRBICP-UHFFFAOYSA-N 0 1 253.415 2.895 20 30 CFEDMN N#CC(C(=O)c1ncoc1C1CC1)c1nc2ccccc2[nH]1 ZINC000551925986 334266399 /nfs/dbraw/zinc/26/63/99/334266399.db2.gz JLXBGGOVVYMOTG-JTQLQIEISA-N 0 1 292.298 2.918 20 30 CFEDMN N#C[C@@H](C(=O)c1ncoc1C1CC1)c1nc2ccccc2[nH]1 ZINC000551925986 334266401 /nfs/dbraw/zinc/26/64/01/334266401.db2.gz JLXBGGOVVYMOTG-JTQLQIEISA-N 0 1 292.298 2.918 20 30 CFEDMN C[C@@H](c1ccccc1)[N@@H+](CC(=O)NC1(C#N)CCC1)C1CC1 ZINC000552155685 334296184 /nfs/dbraw/zinc/29/61/84/334296184.db2.gz ZEHGUFKLFMBMJW-AWEZNQCLSA-N 0 1 297.402 2.774 20 30 CFEDMN C[C@@H](c1ccccc1)N(CC(=O)NC1(C#N)CCC1)C1CC1 ZINC000552155685 334296185 /nfs/dbraw/zinc/29/61/85/334296185.db2.gz ZEHGUFKLFMBMJW-AWEZNQCLSA-N 0 1 297.402 2.774 20 30 CFEDMN CCN(CCC#N)C(=O)CN1CCc2ccccc2C1(C)C ZINC000552678500 334342580 /nfs/dbraw/zinc/34/25/80/334342580.db2.gz OMXRJBFWLITQPZ-UHFFFAOYSA-N 0 1 299.418 2.542 20 30 CFEDMN C=CCc1ccccc1OC[C@@H](O)CNCc1ccoc1 ZINC000567681697 334751512 /nfs/dbraw/zinc/75/15/12/334751512.db2.gz YYEBHKLAUVNRPH-INIZCTEOSA-N 0 1 287.359 2.538 20 30 CFEDMN CCO[C@@H]1C[C@@H]1N[C@H](CCC#N)c1ccc(OC)cc1 ZINC000572587965 334764722 /nfs/dbraw/zinc/76/47/22/334764722.db2.gz DLAUOJQKVIHDAR-OWCLPIDISA-N 0 1 274.364 2.807 20 30 CFEDMN COc1cc(Br)ccc1CCCNCCC#N ZINC000568993769 334849963 /nfs/dbraw/zinc/84/99/63/334849963.db2.gz YXGHXCONQDNBPO-UHFFFAOYSA-N 0 1 297.196 2.894 20 30 CFEDMN CCN(CC(=O)Nc1ccc(Cl)cc1CC#N)C1CC1 ZINC000577041624 335288291 /nfs/dbraw/zinc/28/82/91/335288291.db2.gz NGRGFVRRGATXAV-UHFFFAOYSA-N 0 1 291.782 2.829 20 30 CFEDMN C=CCCCCN1CC[S@@](=O)C(CC)(CC)C1 ZINC000577467034 335355280 /nfs/dbraw/zinc/35/52/80/335355280.db2.gz RPFLXCAUOSFZNI-QGZVFWFLSA-N 0 1 257.443 2.966 20 30 CFEDMN C[C@@H](Cc1ccccc1Br)NCCC#N ZINC000578316125 335605193 /nfs/dbraw/zinc/60/51/93/335605193.db2.gz OBALMQFHUZKVQC-JTQLQIEISA-N 0 1 267.170 2.883 20 30 CFEDMN CC[C@@H](CC#N)NC[C@@H](O)COc1ccccc1C(C)C ZINC000578519708 335644298 /nfs/dbraw/zinc/64/42/98/335644298.db2.gz FBDVSKYSVQFONS-LSDHHAIUSA-N 0 1 290.407 2.832 20 30 CFEDMN C=CC[N@H+](Cc1cc(C(=O)[O-])sc1C)C1CC1 ZINC000382542071 336092958 /nfs/dbraw/zinc/09/29/58/336092958.db2.gz VIPLCKGGKPWQPR-UHFFFAOYSA-N 0 1 251.351 2.905 20 30 CFEDMN C=C(C)CN1CC[C@H]1CN(C)C(=O)c1[nH]ccc1C1CC1 ZINC001085636181 782121365 /nfs/dbraw/zinc/12/13/65/782121365.db2.gz JTNWLEDJTMAXBL-AWEZNQCLSA-N 0 1 287.407 2.615 20 30 CFEDMN CCOCCN(C)Cc1ccc(C#N)cc1OC(F)F ZINC000357524851 519904588 /nfs/dbraw/zinc/90/45/88/519904588.db2.gz CLJWUZVLPZCBAB-UHFFFAOYSA-N 0 1 284.306 2.628 20 30 CFEDMN C=C(C)CN1CC[C@H]1CN(C)C(=O)c1ccnc(C2CC2)c1 ZINC001085700147 782136812 /nfs/dbraw/zinc/13/68/12/782136812.db2.gz GSLSWDXWTRCMDV-INIZCTEOSA-N 0 1 299.418 2.681 20 30 CFEDMN C=C(C)CN1CC[C@@H]1CN(C)C(=O)c1ccnc(C2CC2)c1 ZINC001085700148 782136904 /nfs/dbraw/zinc/13/69/04/782136904.db2.gz GSLSWDXWTRCMDV-MRXNPFEDSA-N 0 1 299.418 2.681 20 30 CFEDMN C#CCCN1CC[C@H]1CN(C)C(=O)C1CCCCCCC1 ZINC001085715531 782142997 /nfs/dbraw/zinc/14/29/97/782142997.db2.gz MWMYUYOLGPUIKC-KRWDZBQOSA-N 0 1 290.451 2.903 20 30 CFEDMN C=CCN(CCOC)Cc1ccc(C)c([N+](=O)[O-])c1 ZINC000191756388 500577373 /nfs/dbraw/zinc/57/73/73/500577373.db2.gz LGVVFHBMFGNIFC-UHFFFAOYSA-N 0 1 264.325 2.538 20 30 CFEDMN Cc1c(C(=O)N=c2[nH]n(C(C)C)cc2C#N)ccn1C(C)C ZINC000410539077 533773777 /nfs/dbraw/zinc/77/37/77/533773777.db2.gz IWSLFCKSLFCUJO-UHFFFAOYSA-N 0 1 299.378 2.701 20 30 CFEDMN C[C@@H](CNCc1nc(C#N)cs1)Oc1cccc(F)c1 ZINC000352842792 534064777 /nfs/dbraw/zinc/06/47/77/534064777.db2.gz VQQOMEFZMGZEHS-JTQLQIEISA-N 0 1 291.351 2.711 20 30 CFEDMN C[C@@H](N(C)CC(=O)Nc1cccc(C#N)c1)C1(C)CC1 ZINC000177240405 534284826 /nfs/dbraw/zinc/28/48/26/534284826.db2.gz YOEVUWKUPGLFNN-GFCCVEGCSA-N 0 1 271.364 2.617 20 30 CFEDMN C=Cc1ccc(CCNCc2nc(C#N)cs2)cc1 ZINC000361121733 519317349 /nfs/dbraw/zinc/31/73/49/519317349.db2.gz IFOIHBPSHPVGTA-UHFFFAOYSA-N 0 1 269.373 2.990 20 30 CFEDMN Cc1ccc2nc(CNc3ccc(C#N)nc3)[nH]c2c1 ZINC000426904041 534506256 /nfs/dbraw/zinc/50/62/56/534506256.db2.gz VJZIYZALHOSRKU-UHFFFAOYSA-N 0 1 263.304 2.750 20 30 CFEDMN CCCN(CC(=O)N(C)C(C)C)Cc1ccc(C#N)cc1 ZINC000047726469 521524207 /nfs/dbraw/zinc/52/42/07/521524207.db2.gz HIEODTJAFFZSLU-UHFFFAOYSA-N 0 1 287.407 2.637 20 30 CFEDMN CCOCC(C)(C)NCc1ccc(F)cc1C#N ZINC000339359802 521671012 /nfs/dbraw/zinc/67/10/12/521671012.db2.gz LXPJWAUEWDRLOC-UHFFFAOYSA-N 0 1 250.317 2.602 20 30 CFEDMN COc1ccc(C#N)cc1CN1CCC(C)(OC)CC1 ZINC000312629078 523522228 /nfs/dbraw/zinc/52/22/28/523522228.db2.gz VVVNURNGZOZHPN-UHFFFAOYSA-N 0 1 274.364 2.568 20 30 CFEDMN CC[C@@]1(CO)CCCN(Cc2ccc(C#N)c(F)c2)C1 ZINC000192206996 523739314 /nfs/dbraw/zinc/73/93/14/523739314.db2.gz BEXZPIUWSXWMJF-MRXNPFEDSA-N 0 1 276.355 2.682 20 30 CFEDMN N#CC(C(=O)c1csc2c1CCCC2)c1ccncn1 ZINC000354473810 534740740 /nfs/dbraw/zinc/74/07/40/534740740.db2.gz QESSUAWCFCROLN-NSHDSACASA-N 0 1 283.356 2.907 20 30 CFEDMN C[C@@H](CC(C)(C)C)C(=O)N=c1[nH]n(C(C)(C)C)cc1C#N ZINC000361861662 524405492 /nfs/dbraw/zinc/40/54/92/524405492.db2.gz FGCWGRDJOXLBPX-NSHDSACASA-N 0 1 290.411 2.942 20 30 CFEDMN Cc1cc(CN2CCCN(C(=O)C(C)C)CC2)ccc1C#N ZINC000336471732 524682657 /nfs/dbraw/zinc/68/26/57/524682657.db2.gz BODXXOHKKBXSCK-UHFFFAOYSA-N 0 1 299.418 2.557 20 30 CFEDMN COc1ccccc1[C@@H](C)NCc1cc(C#N)n(C)c1 ZINC000232313843 524721739 /nfs/dbraw/zinc/72/17/39/524721739.db2.gz ICEYVQMACAXBGH-GFCCVEGCSA-N 0 1 269.348 2.756 20 30 CFEDMN C[C@H]1[C@H](CO)CCCN1Cc1ccc(C#N)cc1Cl ZINC000335180372 525102620 /nfs/dbraw/zinc/10/26/20/525102620.db2.gz QANXSMJPNBKKOU-FZMZJTMJSA-N 0 1 278.783 2.804 20 30 CFEDMN C[C@@H]1[C@@H](C(F)(F)F)CCN1Cc1cc(C#N)n(C)c1 ZINC000334782041 525633169 /nfs/dbraw/zinc/63/31/69/525633169.db2.gz SADUZVMQTVSMAB-SKDRFNHKSA-N 0 1 271.286 2.669 20 30 CFEDMN C[C@@H](N[C@H](CO)c1ccccc1)c1ccc(C#N)cc1 ZINC000062999328 525666814 /nfs/dbraw/zinc/66/68/14/525666814.db2.gz ZPLVGNKTBULJGI-CXAGYDPISA-N 0 1 266.344 2.942 20 30 CFEDMN C[C@@H](c1cccc(C#N)c1)N1CCC[C@H](N2CCCC2=O)C1 ZINC000336345398 526067307 /nfs/dbraw/zinc/06/73/07/526067307.db2.gz MNQVUGRPNKSBDO-YOEHRIQHSA-N 0 1 297.402 2.706 20 30 CFEDMN Cc1cc(C#N)cc(NC(=O)N[C@@H]2CCCc3cn[nH]c32)c1 ZINC000334992869 526184224 /nfs/dbraw/zinc/18/42/24/526184224.db2.gz WBGKIXSYJAGIGP-CQSZACIVSA-N 0 1 295.346 2.789 20 30 CFEDMN CNC(=O)[C@@H]1CCC[C@@H]1NCc1nc(C2CC2)cs1 ZINC000329202402 526406346 /nfs/dbraw/zinc/40/63/46/526406346.db2.gz VYYREEJENAXZAL-MNOVXSKESA-N 0 1 279.409 2.865 20 30 CFEDMN N#Cc1ccc(OCCCN2CCO[C@H]3CCC[C@H]32)cc1 ZINC000226925067 526673419 /nfs/dbraw/zinc/67/34/19/526673419.db2.gz GPTFZHWPACZEKW-SJORKVTESA-N 0 1 286.375 2.580 20 30 CFEDMN C=CCOCC(=O)N1CCC[C@@H]1c1nc2ccc(C)cc2[nH]1 ZINC000354817139 526694010 /nfs/dbraw/zinc/69/40/10/526694010.db2.gz WGEMUYDIGCYRNR-OAHLLOKOSA-N 0 1 299.374 2.737 20 30 CFEDMN N#Cc1cccc(CSc2nc(C3CC3)n[nH]2)c1F ZINC000353202777 526711848 /nfs/dbraw/zinc/71/18/48/526711848.db2.gz PPDPIXCCJHNDGU-UHFFFAOYSA-N 0 1 274.324 2.985 20 30 CFEDMN N#Cc1cccc(CSc2n[nH]c(C3CC3)n2)c1F ZINC000353202777 526711854 /nfs/dbraw/zinc/71/18/54/526711854.db2.gz PPDPIXCCJHNDGU-UHFFFAOYSA-N 0 1 274.324 2.985 20 30 CFEDMN C=CCOCCCSc1nc(C(C)(C)C)n[nH]1 ZINC000356066760 526763401 /nfs/dbraw/zinc/76/34/01/526763401.db2.gz YXUJBHAADIJDJZ-UHFFFAOYSA-N 0 1 255.387 2.787 20 30 CFEDMN C=CCOCCCSc1n[nH]c(C(C)(C)C)n1 ZINC000356066760 526763404 /nfs/dbraw/zinc/76/34/04/526763404.db2.gz YXUJBHAADIJDJZ-UHFFFAOYSA-N 0 1 255.387 2.787 20 30 CFEDMN N#Cc1csc(CN[C@H]2COCc3ccccc32)c1 ZINC000334939835 526783903 /nfs/dbraw/zinc/78/39/03/526783903.db2.gz XCYCIJBKVNIIAO-HNNXBMFYSA-N 0 1 270.357 2.981 20 30 CFEDMN C=CCCC(=O)Nc1ccc(-c2nnc[nH]2)cc1F ZINC000344297396 527077302 /nfs/dbraw/zinc/07/73/02/527077302.db2.gz YOKAQYQDZDVGRT-UHFFFAOYSA-N 0 1 260.272 2.516 20 30 CFEDMN C=CC[C@H](C)NC(=O)c1n[nH]c2ccc(Cl)cc21 ZINC000353792956 527137934 /nfs/dbraw/zinc/13/79/34/527137934.db2.gz ZXUMXUVONHUETM-QMMMGPOBSA-N 0 1 263.728 2.911 20 30 CFEDMN C=CC[C@H](CC)NC(=O)C1(N(C)C)Cc2ccccc2C1 ZINC000367162482 527144895 /nfs/dbraw/zinc/14/48/95/527144895.db2.gz BSWGIBFTVKSFHI-INIZCTEOSA-N 0 1 286.419 2.557 20 30 CFEDMN C=CCCN(C)C(=O)[C@@H](CC)N(C)Cc1ccccc1 ZINC000355977163 527312972 /nfs/dbraw/zinc/31/29/72/527312972.db2.gz GNIHUNHCIDUDEZ-MRXNPFEDSA-N 0 1 274.408 2.932 20 30 CFEDMN C=CCCOCCCCC(=O)N1[C@H](C)CN(CC)C[C@H]1C ZINC000344454820 527334743 /nfs/dbraw/zinc/33/47/43/527334743.db2.gz OQQWPDDXHOPTPQ-HZPDHXFCSA-N 0 1 296.455 2.691 20 30 CFEDMN C=C[C@@H]1CCCCN1C(=O)c1cccc(-c2nnc[nH]2)c1 ZINC000336102083 527455472 /nfs/dbraw/zinc/45/54/72/527455472.db2.gz WJNMGCAHELIYCV-CQSZACIVSA-N 0 1 282.347 2.652 20 30 CFEDMN C=C[C@H](CC(=O)N1C[C@@H](C)N(C)C[C@H]1C)c1ccccc1 ZINC000351987491 527576120 /nfs/dbraw/zinc/57/61/20/527576120.db2.gz VZQNFUZVLHJFRE-BZUAXINKSA-N 0 1 286.419 2.897 20 30 CFEDMN CCCN1CCN(C(=O)C[C@H](CC#N)c2ccccc2)CC1 ZINC000355626647 528238555 /nfs/dbraw/zinc/23/85/55/528238555.db2.gz WUOVJCBPLKXAHF-KRWDZBQOSA-N 0 1 299.418 2.628 20 30 CFEDMN CC(C)c1nc(CN(C)[C@@H](C)c2cccc(C#N)c2)n[nH]1 ZINC000425541281 528245639 /nfs/dbraw/zinc/24/56/39/528245639.db2.gz WKOQMJYQYUSVJS-LBPRGKRZSA-N 0 1 283.379 2.993 20 30 CFEDMN CC(C)C[C@@H](N)c1noc(-c2cc(C#N)cs2)n1 ZINC000414619332 528348685 /nfs/dbraw/zinc/34/86/85/528348685.db2.gz NWTXTRIJVSZKBE-SECBINFHSA-N 0 1 262.338 2.716 20 30 CFEDMN CCCc1cc(C(=O)C(C#N)c2ccccn2)ccn1 ZINC000355095070 528597777 /nfs/dbraw/zinc/59/77/77/528597777.db2.gz HGEAOVXTMHHAHL-AWEZNQCLSA-N 0 1 265.316 2.919 20 30 CFEDMN CCCc1cc(C(=O)C(C#N)c2ccccn2)ccn1 ZINC000355095074 528599357 /nfs/dbraw/zinc/59/93/57/528599357.db2.gz HGEAOVXTMHHAHL-CQSZACIVSA-N 0 1 265.316 2.919 20 30 CFEDMN CCN(C([O-])=[NH+][C@H]1CCc2cnn(C(C)C)c2C1)C1CC1 ZINC000330056582 528903513 /nfs/dbraw/zinc/90/35/13/528903513.db2.gz WCSVQXQFWAJZCF-ZDUSSCGKSA-N 0 1 290.411 2.720 20 30 CFEDMN CC(C)N1CCC[C@H](NC(=O)c2snnc2C2CC2)C1 ZINC000330122845 529018879 /nfs/dbraw/zinc/01/88/79/529018879.db2.gz AJWBUQWWWBARCA-NSHDSACASA-N 0 1 294.424 2.593 20 30 CFEDMN CC[C@@H](C(=O)N1CCC(C#N)CC1)N(C)Cc1ccccc1 ZINC000353772406 529274625 /nfs/dbraw/zinc/27/46/25/529274625.db2.gz LFTXQYIXTIKSLB-KRWDZBQOSA-N 0 1 299.418 2.659 20 30 CFEDMN CC[C@@H](C)[N@@H+](CC(=O)[O-])Cc1ccc(C#N)c(C)c1 ZINC000414688256 529346328 /nfs/dbraw/zinc/34/63/28/529346328.db2.gz YCPAHSIPLJXMBY-GFCCVEGCSA-N 0 1 260.337 2.552 20 30 CFEDMN CC[C@](C)(C#N)C(=O)Nc1ccc(F)c(F)c1O ZINC000334746042 529352474 /nfs/dbraw/zinc/35/24/74/529352474.db2.gz BGWKVHMQKQTBCU-GFCCVEGCSA-N 0 1 254.236 2.549 20 30 CFEDMN C=C(C)CN1CC[C@@H]1CN(C)C(=O)c1cc(C)cc(F)c1 ZINC001085835157 782180717 /nfs/dbraw/zinc/18/07/17/782180717.db2.gz DJYGEFMCKISQSY-MRXNPFEDSA-N 0 1 290.382 2.857 20 30 CFEDMN Cc1ccc([C@@H](C)C(=O)[C@H](C#N)c2cc(C)nc(C)n2)o1 ZINC000744026221 574049961 /nfs/dbraw/zinc/04/99/61/574049961.db2.gz KXDORRKMLSGDHR-DGCLKSJQSA-N 0 1 283.331 2.975 20 30 CFEDMN Cc1cccc2c1CCC2=NNC1=N[C@H]2CCCC[C@@H]2N1 ZINC000753934293 574056165 /nfs/dbraw/zinc/05/61/65/574056165.db2.gz HZMPZTVOOBKVBW-HOTGVXAUSA-N 0 1 282.391 2.505 20 30 CFEDMN Cc1cccc2nc([C@H](C#N)C(=O)C3=COCCC3)[nH]c21 ZINC000744159345 574057108 /nfs/dbraw/zinc/05/71/08/574057108.db2.gz BTQSFRXSRXZKBW-GFCCVEGCSA-N 0 1 281.315 2.742 20 30 CFEDMN CC(=NNc1ccc([N+](=O)[O-])cc1Cl)c1cnn(C)c1 ZINC000727649801 574058218 /nfs/dbraw/zinc/05/82/18/574058218.db2.gz NDSOCVMKBRLUOS-UHFFFAOYSA-N 0 1 293.714 2.818 20 30 CFEDMN C[C@H]1CC(N=Nc2ncccc2Cl)CN1C1CC1 ZINC000753956783 574059031 /nfs/dbraw/zinc/05/90/31/574059031.db2.gz WNAMNBNTXZKALH-VIFPVBQESA-N 0 1 264.760 2.760 20 30 CFEDMN C[C@@H]1CC(N=Nc2c(F)cccc2F)CN1C1CC1 ZINC000753959011 574059686 /nfs/dbraw/zinc/05/96/86/574059686.db2.gz CSGRYAOKTRZZMD-SECBINFHSA-N 0 1 265.307 2.989 20 30 CFEDMN CO[C@H](C)C(=O)C(C#N)c1nc2cc(F)ccc2s1 ZINC000730416320 574080562 /nfs/dbraw/zinc/08/05/62/574080562.db2.gz CLBRVQYPEBOZLC-APPZFPTMSA-N 0 1 278.308 2.647 20 30 CFEDMN CC(C)N1CC(=NNCc2cccc(F)c2)[C@@H](C)C1 ZINC000754258357 574084605 /nfs/dbraw/zinc/08/46/05/574084605.db2.gz LNRZFFBAYPNCHT-LBPRGKRZSA-N 0 1 263.360 2.631 20 30 CFEDMN COC(C)(C)C(=O)[C@H](C#N)c1nc2ccccc2s1 ZINC000730917079 574103791 /nfs/dbraw/zinc/10/37/91/574103791.db2.gz GEYFKWMVUVGUOF-VIFPVBQESA-N 0 1 274.345 2.898 20 30 CFEDMN Cc1ccc(O)c(C=NN=c2nc[nH]c3sccc32)n1 ZINC000728778328 574108797 /nfs/dbraw/zinc/10/87/97/574108797.db2.gz CEZNOYFFZSYBOC-UHFFFAOYSA-N 0 1 285.332 2.546 20 30 CFEDMN CCC(CC)CN(CCC#N)CCC1OCCCO1 ZINC000754664758 574111957 /nfs/dbraw/zinc/11/19/57/574111957.db2.gz LAKWKSMTQKTLJF-UHFFFAOYSA-N 0 1 268.401 2.791 20 30 CFEDMN CCOc1cc(C=NNc2ccc(F)cn2)ccc1O ZINC000731319632 574116904 /nfs/dbraw/zinc/11/69/04/574116904.db2.gz WWJWXBNXBAJMFT-UHFFFAOYSA-N 0 1 275.283 2.771 20 30 CFEDMN C=CCCC(=O)COC(=O)C(C)(C)N(C)C1CCCC1 ZINC000754867410 574125643 /nfs/dbraw/zinc/12/56/43/574125643.db2.gz AMVZWVHWWJHULA-UHFFFAOYSA-N 0 1 281.396 2.718 20 30 CFEDMN C=CCN(C(=O)c1[nH]nc2ccc([N+](=O)[O-])cc21)C(C)C ZINC000728869144 574132374 /nfs/dbraw/zinc/13/23/74/574132374.db2.gz XMSKLXRQQBIMMG-UHFFFAOYSA-N 0 1 288.307 2.508 20 30 CFEDMN CC(C)CO[C@H]1CC(=NNCCN2CCCCC2)C1(C)C ZINC000737430636 574140821 /nfs/dbraw/zinc/14/08/21/574140821.db2.gz WZWVTTWCTUXVGS-INIZCTEOSA-N 0 1 295.471 2.889 20 30 CFEDMN C#CCOc1ccc(NC(=O)CN2[C@H](C)CC[C@H]2C)cc1 ZINC000746237527 574141496 /nfs/dbraw/zinc/14/14/96/574141496.db2.gz NYUDFXKHSFWIHC-ZIAGYGMSSA-N 0 1 286.375 2.510 20 30 CFEDMN C#C[C@H](NCc1ccc2nc(C)sc2c1)[C@H]1CCCO1 ZINC000755208665 574146612 /nfs/dbraw/zinc/14/66/12/574146612.db2.gz BWSRMTMWYFYCQE-DZGCQCFKSA-N 0 1 286.400 2.875 20 30 CFEDMN COc1cc([N+](=O)[O-])ccc1NN=Cc1ccc(O)cc1 ZINC000746679544 574162336 /nfs/dbraw/zinc/16/23/36/574162336.db2.gz JWQWYCHMYWTQIU-UHFFFAOYSA-N 0 1 287.275 2.755 20 30 CFEDMN COc1cc([N+](=O)[O-])ccc1NN=Cc1cccc(O)c1 ZINC000746680087 574162865 /nfs/dbraw/zinc/16/28/65/574162865.db2.gz POGMTEPWFVRSRW-UHFFFAOYSA-N 0 1 287.275 2.755 20 30 CFEDMN CC(=NNc1ccc(F)cc1F)c1nccn1C ZINC000755463984 574163799 /nfs/dbraw/zinc/16/37/99/574163799.db2.gz IQRITYGMLYIFRB-UHFFFAOYSA-N 0 1 250.252 2.534 20 30 CFEDMN Cc1cccn2c(C=NNc3nc4ccccc4[nH]3)cnc12 ZINC000755489866 574165386 /nfs/dbraw/zinc/16/53/86/574165386.db2.gz ZCJHYHHJAZGDHH-UHFFFAOYSA-N 0 1 290.330 2.965 20 30 CFEDMN COc1cccc(OC)c1C=NNc1ccccn1 ZINC000755518522 574167047 /nfs/dbraw/zinc/16/70/47/574167047.db2.gz DBCMJURAGRWFMB-UHFFFAOYSA-N 0 1 257.293 2.545 20 30 CFEDMN Cc1ccc(C[NH2+][C@H](C(=O)[O-])c2ccc(C#N)cc2)s1 ZINC000738601374 574175215 /nfs/dbraw/zinc/17/52/15/574175215.db2.gz CWBKDGJRKZPCSU-AWEZNQCLSA-N 0 1 286.356 2.844 20 30 CFEDMN COc1ccc(CN[C@H](CO)c2ccccc2C)cc1C#N ZINC000747100444 574179960 /nfs/dbraw/zinc/17/99/60/574179960.db2.gz HXCLEZBIHFZKEJ-QGZVFWFLSA-N 0 1 296.370 2.699 20 30 CFEDMN Cc1ccnc(N=NCc2ccc3c[nH]nc3c2)c1 ZINC000755771461 574186303 /nfs/dbraw/zinc/18/63/03/574186303.db2.gz TXRCMVGBSRBTFG-UHFFFAOYSA-N 0 1 251.293 2.712 20 30 CFEDMN COc1ccc(NN=Cc2nc(C)cs2)c([N+](=O)[O-])c1 ZINC000755802721 574188580 /nfs/dbraw/zinc/18/85/80/574188580.db2.gz OLTZRSFRCRXVLW-UHFFFAOYSA-N 0 1 292.320 2.814 20 30 CFEDMN CC(=O)Nc1ccc(O)c(C(C)=NNc2cc(C)ccn2)c1 ZINC000755900612 574195385 /nfs/dbraw/zinc/19/53/85/574195385.db2.gz MDPWSQGGBCIPQZ-UHFFFAOYSA-N 0 1 298.346 2.890 20 30 CFEDMN CCOc1cccc(CN=Nc2cc(C)ccn2)c1O ZINC000755901501 574195392 /nfs/dbraw/zinc/19/53/92/574195392.db2.gz GEQBTCXLBYOGBO-UHFFFAOYSA-N 0 1 271.320 2.940 20 30 CFEDMN Cc1ccnc(NN=C2C(=O)Nc3c2c(C)ccc3C)c1 ZINC000755903399 574196317 /nfs/dbraw/zinc/19/63/17/574196317.db2.gz QBQJYCNWOOFTPH-UHFFFAOYSA-N 0 1 280.331 2.775 20 30 CFEDMN Cc1ccnc(NN=Cc2cnc3[nH]cccc2-3)c1 ZINC000755906342 574196641 /nfs/dbraw/zinc/19/66/41/574196641.db2.gz LRUSZRNETIYDKS-UHFFFAOYSA-N 0 1 251.293 2.712 20 30 CFEDMN COCCOc1ccccc1C=NNc1cc(C)ccn1 ZINC000755907139 574196700 /nfs/dbraw/zinc/19/67/00/574196700.db2.gz VFXMIYWFWKZNGL-UHFFFAOYSA-N 0 1 285.347 2.861 20 30 CFEDMN C=C(C)COc1cccc(NC(=O)[C@H](C)N(C)C)c1 ZINC000674287690 574205280 /nfs/dbraw/zinc/20/52/80/574205280.db2.gz XFUZLMVESDQZHL-LBPRGKRZSA-N 0 1 262.353 2.530 20 30 CFEDMN CC#CCN1CCC[C@@H](C)[C@@H]1CNC(=O)OC(C)(C)C ZINC000747971497 574222906 /nfs/dbraw/zinc/22/29/06/574222906.db2.gz YGFUKINNEOMEQU-KGLIPLIRSA-N 0 1 280.412 2.635 20 30 CFEDMN CCN(C)c1ccc(C(C)=NNCC(F)F)cc1 ZINC000748075181 574226974 /nfs/dbraw/zinc/22/69/74/574226974.db2.gz FZQPRMLYNKRFMH-UHFFFAOYSA-N 0 1 255.312 2.721 20 30 CFEDMN C=CCCN1CCN(C(=O)OC(C)(C)C)C[C@H]1C ZINC000739915896 574228907 /nfs/dbraw/zinc/22/89/07/574228907.db2.gz SZZJHVBAMVDHTJ-GFCCVEGCSA-N 0 1 254.374 2.504 20 30 CFEDMN N#CC(C(=O)C1CCC1)=C(O)C1(c2ccccc2)CC1 ZINC000748115722 574229932 /nfs/dbraw/zinc/22/99/32/574229932.db2.gz VCKHUIGINKBHFE-AWEZNQCLSA-N 0 1 267.328 2.796 20 30 CFEDMN Cc1ccc(NN=Cc2cc(F)c(F)c(F)c2)nn1 ZINC000729937890 574239176 /nfs/dbraw/zinc/23/91/76/574239176.db2.gz JRPSBRFFUSSLGN-UHFFFAOYSA-N 0 1 266.226 2.648 20 30 CFEDMN C#CCN1CCC[C@H]1COC(=O)CCCc1cccs1 ZINC000756548362 574245378 /nfs/dbraw/zinc/24/53/78/574245378.db2.gz PSLFLEUZFYEXQI-AWEZNQCLSA-N 0 1 291.416 2.712 20 30 CFEDMN N#Cc1ccc(C[N@@H+](C2CC2)C2CCN(C(=O)[O-])CC2)cc1 ZINC000740313105 574246698 /nfs/dbraw/zinc/24/66/98/574246698.db2.gz PGJFWNVWXRRYAY-UHFFFAOYSA-N 0 1 299.374 2.665 20 30 CFEDMN C#CCN1CCC[C@@H]1COC(=O)C1(c2cccc(C)c2)CC1 ZINC000756554300 574246852 /nfs/dbraw/zinc/24/68/52/574246852.db2.gz WVOGGPSVECPORK-QGZVFWFLSA-N 0 1 297.398 2.667 20 30 CFEDMN C#CCN1CCC[C@@H]1COC(=O)C[C@@H](C)c1ccccc1 ZINC000756556528 574247170 /nfs/dbraw/zinc/24/71/70/574247170.db2.gz VNQRNLKUMVEHCH-NVXWUHKLSA-N 0 1 285.387 2.821 20 30 CFEDMN C[C@@H]([NH2+]C1CCN(CC#N)CC1)c1cc(Cl)ccc1[O-] ZINC000756554042 574247251 /nfs/dbraw/zinc/24/72/51/574247251.db2.gz LOSYVBNZBGJMHX-LLVKDONJSA-N 0 1 293.798 2.684 20 30 CFEDMN CC[C@H](C#N)Oc1cccc(CNCc2cnc(C)nc2)c1 ZINC000733800069 574258034 /nfs/dbraw/zinc/25/80/34/574258034.db2.gz FGGROUIJMPAZCO-MRXNPFEDSA-N 0 1 296.374 2.756 20 30 CFEDMN CCC(=NNCCN1CCCCC1)c1cccc(OC)c1 ZINC000740760362 574266033 /nfs/dbraw/zinc/26/60/33/574266033.db2.gz ARYLZHPSIJIHAE-UHFFFAOYSA-N 0 1 289.423 2.885 20 30 CFEDMN CCCCCCCCN1CCN(C(=O)NCC)CC1 ZINC000740873553 574271559 /nfs/dbraw/zinc/27/15/59/574271559.db2.gz KEFBAJMAEZPLHU-UHFFFAOYSA-N 0 1 269.433 2.694 20 30 CFEDMN C[C@@H](C(=O)OCc1ccccc1C#N)N1[C@H](C)CC[C@@H]1C ZINC000741019269 574278346 /nfs/dbraw/zinc/27/83/46/574278346.db2.gz VMFQLIZTTINTDR-MJBXVCDLSA-N 0 1 286.375 2.863 20 30 CFEDMN C[C@@H](C(=O)OCc1cccc(C#N)c1)N1CCCCCC1 ZINC000741029087 574278875 /nfs/dbraw/zinc/27/88/75/574278875.db2.gz MGEBJIRNFZTHRL-AWEZNQCLSA-N 0 1 286.375 2.866 20 30 CFEDMN C[C@@H](C(=O)OCc1ccccc1C#N)N1CCCCCC1 ZINC000741028953 574279192 /nfs/dbraw/zinc/27/91/92/574279192.db2.gz KBZJITXXQLZMTC-AWEZNQCLSA-N 0 1 286.375 2.866 20 30 CFEDMN C#CCOc1ccc(CNCc2cc(C#N)ccc2F)cc1 ZINC000742381872 574279608 /nfs/dbraw/zinc/27/96/08/574279608.db2.gz PMZUAIUCIARRNG-UHFFFAOYSA-N 0 1 294.329 2.999 20 30 CFEDMN CC1(C)CN(Cc2ccc(OCC#N)cc2)C(C)(C)CO1 ZINC000734485278 574288819 /nfs/dbraw/zinc/28/88/19/574288819.db2.gz GPCQONWPVFCLMY-UHFFFAOYSA-N 0 1 288.391 2.978 20 30 CFEDMN CCCCCCCC(=O)NC(C)(C)c1c[nH]nn1 ZINC000734568432 574293788 /nfs/dbraw/zinc/29/37/88/574293788.db2.gz MTERHBGDVJUOTR-UHFFFAOYSA-N 0 1 252.362 2.517 20 30 CFEDMN COCCC(=NNc1cc(C)ncn1)c1ccc(F)cc1 ZINC000734747952 574301146 /nfs/dbraw/zinc/30/11/46/574301146.db2.gz DPADIPOJVLNEFX-UHFFFAOYSA-N 0 1 288.326 2.777 20 30 CFEDMN COCc1ccc(C=NNc2ccc(F)cn2)cc1 ZINC000741764765 574301622 /nfs/dbraw/zinc/30/16/22/574301622.db2.gz XSPSZBLRRBKMJE-UHFFFAOYSA-N 0 1 259.284 2.813 20 30 CFEDMN Cc1ccc(F)c(C=NNc2ccc(-n3cccn3)nn2)c1 ZINC000734979132 574308368 /nfs/dbraw/zinc/30/83/68/574308368.db2.gz BQUWYANKGDFLFW-UHFFFAOYSA-N 0 1 296.309 2.556 20 30 CFEDMN C=CCCCN(C)CN1C(=O)[C@@H]2CCCCC[C@@H]21 ZINC000749953063 574318322 /nfs/dbraw/zinc/31/83/22/574318322.db2.gz AWXRQFPGCMMZND-KGLIPLIRSA-N 0 1 250.386 2.633 20 30 CFEDMN Cc1ccc(N=NCc2cnc3ccc(C)cn23)nc1 ZINC000755689568 574318744 /nfs/dbraw/zinc/31/87/44/574318744.db2.gz QEGNCACDXDPLLE-UHFFFAOYSA-N 0 1 265.320 2.792 20 30 CFEDMN CCN(CCOC)Cc1cc(Cl)ccc1OCC#N ZINC000735308817 574319928 /nfs/dbraw/zinc/31/99/28/574319928.db2.gz UQCFCWCRJARGKS-UHFFFAOYSA-N 0 1 282.771 2.711 20 30 CFEDMN C=CCCC[N@H+](CC)Cc1cccc(-c2nn[nH]n2)c1 ZINC000735413738 574322790 /nfs/dbraw/zinc/32/27/90/574322790.db2.gz YXLZGMYVECMXSF-UHFFFAOYSA-N 0 1 271.368 2.655 20 30 CFEDMN O=c1c2ccccc2[nH]c(=S)n1N=C[C@H]1CC=CCC1 ZINC000725857647 574333530 /nfs/dbraw/zinc/33/35/30/574333530.db2.gz AKGIBCWWUVDKSN-NSHDSACASA-N 0 1 285.372 2.875 20 30 CFEDMN Cc1cccc2nc([C@@H](C#N)C(=O)C3CCC3)[nH]c21 ZINC000735791083 574335545 /nfs/dbraw/zinc/33/55/45/574335545.db2.gz UEBAJLBKFPRWDB-NSHDSACASA-N 0 1 253.305 2.848 20 30 CFEDMN N#CCCCOC(=O)[C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000735938685 574342488 /nfs/dbraw/zinc/34/24/88/574342488.db2.gz NBTUPAHYFDJFSI-INIZCTEOSA-N 0 1 286.375 2.746 20 30 CFEDMN C#CCOc1cccc(NC(=O)c2ccc(F)cc2O)c1 ZINC000750537708 574347100 /nfs/dbraw/zinc/34/71/00/574347100.db2.gz RYTFBZZFKREFBM-UHFFFAOYSA-N 0 1 285.274 2.796 20 30 CFEDMN Cc1ccnc2[nH]c([C@@H](C#N)C(=O)C=Cc3ccco3)nc21 ZINC000750724611 574352789 /nfs/dbraw/zinc/35/27/89/574352789.db2.gz OCILSZQLOSJDBG-ITKZLYELSA-N 0 1 292.298 2.749 20 30 CFEDMN CC(Cc1ccc(C(F)(F)F)cc1)=Nn1cnnc1 ZINC000751126731 574369697 /nfs/dbraw/zinc/36/96/97/574369697.db2.gz CYZAJRXSQYPQBG-UHFFFAOYSA-N 0 1 268.242 2.764 20 30 CFEDMN COc1cccc(NN=Cc2cc(O)ccc2[N+](=O)[O-])c1 ZINC000751135377 574369888 /nfs/dbraw/zinc/36/98/88/574369888.db2.gz WUISLWWBAURXGA-UHFFFAOYSA-N 0 1 287.275 2.755 20 30 CFEDMN Clc1ccc(CNCC#Cc2ccccc2)cn1 ZINC000751507802 574378112 /nfs/dbraw/zinc/37/81/12/574378112.db2.gz UALLFDXXYPVBGL-UHFFFAOYSA-N 0 1 256.736 2.876 20 30 CFEDMN COCCOc1ccccc1C=NNc1ccc(C)cn1 ZINC000751524510 574378354 /nfs/dbraw/zinc/37/83/54/574378354.db2.gz AXQUDACDAXUHLN-UHFFFAOYSA-N 0 1 285.347 2.861 20 30 CFEDMN C(CN1CCCCC1)NN=C1CCC2(CCOCC2)CC1 ZINC000751527617 574378401 /nfs/dbraw/zinc/37/84/01/574378401.db2.gz XSWQCAKNLOABQO-UHFFFAOYSA-N 0 1 293.455 2.789 20 30 CFEDMN Cc1cccc2nc([C@@H](C#N)C(=O)CC[C@H]3CCOC3)[nH]c21 ZINC000751846665 574383776 /nfs/dbraw/zinc/38/37/76/574383776.db2.gz ZVUTXAPLNCPSCD-STQMWFEESA-N 0 1 297.358 2.864 20 30 CFEDMN N#Cc1ccc(O)c(NC(=O)c2cccnc2C2CC2)c1 ZINC000752679381 574393519 /nfs/dbraw/zinc/39/35/19/574393519.db2.gz IUSHIJBDEGNVIG-UHFFFAOYSA-N 0 1 279.299 2.789 20 30 CFEDMN Cc1cc(N)cc(C)c1C=[NH+][N-]c1ccc(Cl)nn1 ZINC000752719150 574393875 /nfs/dbraw/zinc/39/38/75/574393875.db2.gz SQKOCOVDMWNJFI-UHFFFAOYSA-N 0 1 275.743 2.775 20 30 CFEDMN Cc1cc(N)cc(C)c1CN=Nc1ccc([N+](=O)[O-])cn1 ZINC000752728257 574393970 /nfs/dbraw/zinc/39/39/70/574393970.db2.gz YIHJSQMHXXGACW-UHFFFAOYSA-N 0 1 285.307 2.635 20 30 CFEDMN CN(C)c1ccnc(NC(=O)/C=C/c2ccccc2C#N)c1 ZINC000753013023 574397412 /nfs/dbraw/zinc/39/74/12/574397412.db2.gz FQCVZEKRGOTPGR-BQYQJAHWSA-N 0 1 292.342 2.671 20 30 CFEDMN C[C@@H](NC(=S)NN=Cc1cccc(Cl)c1O)C1CC1 ZINC000753166277 574399675 /nfs/dbraw/zinc/39/96/75/574399675.db2.gz FEVVGFXLKXIIIC-MRVPVSSYSA-N 0 1 297.811 2.642 20 30 CFEDMN C#CCOCCN[C@@H](C)c1nc2ccccc2s1 ZINC000753772655 574410092 /nfs/dbraw/zinc/41/00/92/574410092.db2.gz ZCUVYKUTBHMVKW-NSHDSACASA-N 0 1 260.362 2.597 20 30 CFEDMN CC[N@@H+](Cc1cc(C(=O)[O-])sc1C)C[C@@H](C)C#N ZINC000155970382 601620672 /nfs/dbraw/zinc/62/06/72/601620672.db2.gz PLWWIYJNEBBNCJ-VIFPVBQESA-N 0 1 266.366 2.736 20 30 CFEDMN CC[N@H+](Cc1cc(C(=O)[O-])sc1C)C[C@@H](C)C#N ZINC000155970382 601620673 /nfs/dbraw/zinc/62/06/73/601620673.db2.gz PLWWIYJNEBBNCJ-VIFPVBQESA-N 0 1 266.366 2.736 20 30 CFEDMN CCC(C)(C)[NH2+][C@@H](C)C(=O)N([O-])Cc1ccc(F)cc1 ZINC000900094471 620637023 /nfs/dbraw/zinc/63/70/23/620637023.db2.gz MVNYKOBYNXEENV-NSHDSACASA-N 0 1 282.359 2.710 20 30 CFEDMN O=C([O-])C[C@@H]1CCC[N@@H+](CC#Cc2ccccc2Cl)C1 ZINC000821516670 597367574 /nfs/dbraw/zinc/36/75/74/597367574.db2.gz UJRWNKZRCWENQP-ZDUSSCGKSA-N 0 1 291.778 2.878 20 30 CFEDMN N#Cc1ccc(C[NH2+][C@H](C(=O)[O-])c2ccccc2)s1 ZINC000161122467 598219683 /nfs/dbraw/zinc/21/96/83/598219683.db2.gz JWTPPUDUCBISOI-ZDUSSCGKSA-N 0 1 272.329 2.535 20 30 CFEDMN C#C[C@H](CC)NC(=O)c1cccc2nc(C(F)F)[nH]c21 ZINC000935630630 649924340 /nfs/dbraw/zinc/92/43/40/649924340.db2.gz LHWXTBATIZNDFT-MRVPVSSYSA-N 0 1 277.274 2.642 20 30 CFEDMN C=CCN1CCC[C@H](NC(=O)[C@@H]2CCCCC2(F)F)C1 ZINC001008067004 651142392 /nfs/dbraw/zinc/14/23/92/651142392.db2.gz RNOWCFCQRMOXOE-STQMWFEESA-N 0 1 286.366 2.579 20 30 CFEDMN C#CC[N@H+](Cc1ccsc1C(=O)[O-])C1CCCC1 ZINC000688846139 601663912 /nfs/dbraw/zinc/66/39/12/601663912.db2.gz IRSRUAGJKITSOQ-UHFFFAOYSA-N 0 1 263.362 2.824 20 30 CFEDMN C#CC[N@H+](Cc1cccc(C(=O)[O-])c1)C1CCCC1 ZINC000688846322 601664216 /nfs/dbraw/zinc/66/42/16/601664216.db2.gz KSTLPVIXUDZCDV-UHFFFAOYSA-N 0 1 257.333 2.763 20 30 CFEDMN C=C[C@@H]1CCCCN1C(=O)c1cc(F)cc(F)c1O ZINC000935696946 649930132 /nfs/dbraw/zinc/93/01/32/649930132.db2.gz IFKIATZBHLOFHI-SNVBAGLBSA-N 0 1 267.275 2.851 20 30 CFEDMN CC(C)C[N@@H+](CCC(=O)[O-])Cc1ccc(F)c(C#N)c1 ZINC000826876137 602234938 /nfs/dbraw/zinc/23/49/38/602234938.db2.gz SLZCXMCCNHLOOE-UHFFFAOYSA-N 0 1 278.327 2.630 20 30 CFEDMN N#Cc1cc(C[N@@H+](CC(=O)[O-])Cc2ccccc2)ccc1F ZINC000692492087 602235076 /nfs/dbraw/zinc/23/50/76/602235076.db2.gz ASPAGDRKOAVSFV-UHFFFAOYSA-N 0 1 298.317 2.784 20 30 CFEDMN N#CC1(CNC(=O)c2cccc3nc(C(F)F)[nH]c32)CC1 ZINC000935784555 649943876 /nfs/dbraw/zinc/94/38/76/649943876.db2.gz OTNMUOKQBAMKGN-UHFFFAOYSA-N 0 1 290.273 2.534 20 30 CFEDMN C[N@@H+](Cc1ccc(C#N)cc1F)C1(C(=O)[O-])CCCC1 ZINC000312819949 604466678 /nfs/dbraw/zinc/46/66/78/604466678.db2.gz CLUQUWBWCVWTHM-UHFFFAOYSA-N 0 1 276.311 2.527 20 30 CFEDMN C=C(C)C[N@H+](CC)Cc1ccc(O[C@H](C)C(=O)[O-])cc1 ZINC000833369092 604518378 /nfs/dbraw/zinc/51/83/78/604518378.db2.gz FBHUVOZPWSPCKB-CYBMUJFWSA-N 0 1 277.364 2.937 20 30 CFEDMN C=CCCCCC[N@H+](C)Cc1c[nH]c(C(=O)[O-])c1 ZINC000833374065 604654345 /nfs/dbraw/zinc/65/43/45/604654345.db2.gz PYWCGKOFPAFJJV-UHFFFAOYSA-N 0 1 250.342 2.891 20 30 CFEDMN C=CC[N@@H+](Cc1ccccc1)C[C@@H]1CC(C(=O)[O-])=C(C)O1 ZINC000833375888 604822491 /nfs/dbraw/zinc/82/24/91/604822491.db2.gz ILCAKTRITNGGBA-HNNXBMFYSA-N 0 1 287.359 2.822 20 30 CFEDMN C[C@@H](C[N@@H+](CC#Cc1cccc(Cl)c1)C1CC1)C(=O)[O-] ZINC000833516190 604869876 /nfs/dbraw/zinc/86/98/76/604869876.db2.gz HLXQECMJIXDMJO-LBPRGKRZSA-N 0 1 291.778 2.877 20 30 CFEDMN CC(C)(C#N)c1ccccc1C[N@H+]1CCC[C@H]1CC(=O)[O-] ZINC000833414016 604967188 /nfs/dbraw/zinc/96/71/88/604967188.db2.gz YANFZBMVBOTSNA-AWEZNQCLSA-N 0 1 286.375 2.927 20 30 CFEDMN C=C(C)C[N@H+](CC)[C@H](C(=O)[O-])c1ccc(C#N)cc1 ZINC000833369445 605042102 /nfs/dbraw/zinc/04/21/02/605042102.db2.gz YRHWDDHBZGXUED-AWEZNQCLSA-N 0 1 258.321 2.582 20 30 CFEDMN CC(C)(C#N)CC[N@@H+](CC(=O)[O-])Cc1ccccc1 ZINC000692472266 605188793 /nfs/dbraw/zinc/18/87/93/605188793.db2.gz MTRABDILPVQEHM-UHFFFAOYSA-N 0 1 260.337 2.513 20 30 CFEDMN C#CCCC[N@@H+]1C[C@H](C2CCCCC2)C[C@H]1C(=O)[O-] ZINC000833362555 605205199 /nfs/dbraw/zinc/20/51/99/605205199.db2.gz YLMPQNRFNAAMNK-CABCVRRESA-N 0 1 263.381 2.755 20 30 CFEDMN C=CCCCCC[N@H+](C)C[C@H]1CC(C(=O)[O-])=C(C)O1 ZINC000833373982 605339876 /nfs/dbraw/zinc/33/98/76/605339876.db2.gz MDTCMYSVAFLNRS-CYBMUJFWSA-N 0 1 267.369 2.812 20 30 CFEDMN CC(C)(C#N)CC(=O)OC[C@@H]1CCN1Cc1ccccc1 ZINC000851470065 634381533 /nfs/dbraw/zinc/38/15/33/634381533.db2.gz ZKPITAVPRKHECH-HNNXBMFYSA-N 0 1 286.375 2.744 20 30 CFEDMN C[C@]1(C#N)CCC[N@@H+]([C@H](C(=O)[O-])c2ccc(F)cc2)C1 ZINC000833551116 605419641 /nfs/dbraw/zinc/41/96/41/605419641.db2.gz GURLRNFKXMQGMX-DZGCQCFKSA-N 0 1 276.311 2.577 20 30 CFEDMN C[C@]1(C#N)CCC[N@H+]([C@H](C(=O)[O-])c2ccc(F)cc2)C1 ZINC000833551116 605419643 /nfs/dbraw/zinc/41/96/43/605419643.db2.gz GURLRNFKXMQGMX-DZGCQCFKSA-N 0 1 276.311 2.577 20 30 CFEDMN C#Cc1cccc(N(C)C(=O)[C@H]2c3cn[nH]c3CC[C@H]2C)c1 ZINC000900560725 620688411 /nfs/dbraw/zinc/68/84/11/620688411.db2.gz AGQMBKZZEDRPKJ-SJKOYZFVSA-N 0 1 293.370 2.720 20 30 CFEDMN CCc1ccc([C@@H](C#N)NC(=O)[C@@H]2CCCN2C(C)C)cc1 ZINC000935994533 649971226 /nfs/dbraw/zinc/97/12/26/649971226.db2.gz YUQAXKWOVMUMFJ-SJORKVTESA-N 0 1 299.418 2.803 20 30 CFEDMN CC(C)(C)CN=Nc1oc(C(C)(C)C)nc1-c1nn[nH]n1 ZINC000824079660 607887074 /nfs/dbraw/zinc/88/70/74/607887074.db2.gz RDDQNFGOWQSJFX-UHFFFAOYSA-N 0 1 291.359 2.596 20 30 CFEDMN C#CCN[C@@H]1c2ccccc2C[C@H]1NC(=O)C1(C)CCCC1 ZINC000960292686 612971284 /nfs/dbraw/zinc/97/12/84/612971284.db2.gz IWEMXYPBBHDBHX-IAGOWNOFSA-N 0 1 296.414 2.572 20 30 CFEDMN C#CCN(C)[C@@H]1CCN(C(=O)C2(C3CCCCC3)CC2)C1 ZINC000980274067 613079656 /nfs/dbraw/zinc/07/96/56/613079656.db2.gz GUCBTDGMJYVCNZ-MRXNPFEDSA-N 0 1 288.435 2.513 20 30 CFEDMN C#CCN(C)[C@H]1CCN(C(=O)[C@@H](C)CC2CCCCC2)C1 ZINC000972458765 613091381 /nfs/dbraw/zinc/09/13/81/613091381.db2.gz VFUYSRPJSMCWNT-RDJZCZTQSA-N 0 1 290.451 2.759 20 30 CFEDMN C#CCN(C)[C@H]1CCN(C(=O)[C@H](CC)CC2CCCC2)C1 ZINC000972472389 613092479 /nfs/dbraw/zinc/09/24/79/613092479.db2.gz MWMYGLDTSUYSLI-SJORKVTESA-N 0 1 290.451 2.759 20 30 CFEDMN C#CCN(C)[C@H]1CCN(C(=O)c2cc3cc(C)ccc3o2)C1 ZINC000980483198 613094261 /nfs/dbraw/zinc/09/42/61/613094261.db2.gz KHQLGPHUTALEPD-HNNXBMFYSA-N 0 1 296.370 2.521 20 30 CFEDMN C#CCN1CC[C@@H](NC(=O)c2cc(C)ccc2C)C(C)(C)C1 ZINC000941183750 613232149 /nfs/dbraw/zinc/23/21/49/613232149.db2.gz HLRYQUBWDAWCJX-QGZVFWFLSA-N 0 1 298.430 2.767 20 30 CFEDMN C=C(C)CCN1CC(N(CC)C(=O)[C@@H]2CCC[C@@H]3C[C@@H]32)C1 ZINC000950678520 613245256 /nfs/dbraw/zinc/24/52/56/613245256.db2.gz QNQCWZQRWJKWDF-OIISXLGYSA-N 0 1 290.451 2.922 20 30 CFEDMN C#CCN1CC[C@@H](NC(=O)c2sc(C)cc2C)C[C@H]1C ZINC000947351975 613245260 /nfs/dbraw/zinc/24/52/60/613245260.db2.gz IDJMVXUDSCCEBY-TZMCWYRMSA-N 0 1 290.432 2.581 20 30 CFEDMN C=C(C)CCN1CC(N(CC)C(=O)[C@@H]2Cc3ccccc32)C1 ZINC000951589220 613245601 /nfs/dbraw/zinc/24/56/01/613245601.db2.gz VYKPEOCAIPOUPQ-GOSISDBHSA-N 0 1 298.430 2.825 20 30 CFEDMN C=C(C)CCN1CC(N(CC)C(=O)c2cc[nH]c2CC)C1 ZINC000950010429 613246243 /nfs/dbraw/zinc/24/62/43/613246243.db2.gz DXDKXBYGLNHYQF-UHFFFAOYSA-N 0 1 289.423 2.690 20 30 CFEDMN C=C(C)CCN1CCN(C(=O)[C@@H]2C[C@@]2(C)C(C)C)CC1 ZINC000956980296 613259664 /nfs/dbraw/zinc/25/96/64/613259664.db2.gz WJLVDTYZDRRQKL-RDJZCZTQSA-N 0 1 278.440 2.779 20 30 CFEDMN C=C(C)CCN1CCN(C(=O)c2cccc3[nH]ccc32)CC1 ZINC000950653312 613262058 /nfs/dbraw/zinc/26/20/58/613262058.db2.gz BTEBCVLPTRUJPW-UHFFFAOYSA-N 0 1 297.402 2.892 20 30 CFEDMN C#CCN1C[C@H](NC(=O)[C@H]2CCCCC2(C)C)C(C)(C)C1 ZINC000977635093 613298782 /nfs/dbraw/zinc/29/87/82/613298782.db2.gz KLVUCMIVDOCQCR-CABCVRRESA-N 0 1 290.451 2.663 20 30 CFEDMN C=C(C)CN1CC([C@H](C)NC(=O)c2ccoc2Cl)C1 ZINC000969561458 613303688 /nfs/dbraw/zinc/30/36/88/613303688.db2.gz OOTAHMMMMCFKHK-JTQLQIEISA-N 0 1 282.771 2.559 20 30 CFEDMN C=C(C)CN1CCCCC[C@H]1CNC(=O)c1ccns1 ZINC000968879281 613307241 /nfs/dbraw/zinc/30/72/41/613307241.db2.gz CWXIBISZGQTNHS-ZDUSSCGKSA-N 0 1 293.436 2.694 20 30 CFEDMN C=C(C)CN1CCCN(C(=O)[C@@H](C)C2CCC2)CC1 ZINC000981424824 613308826 /nfs/dbraw/zinc/30/88/26/613308826.db2.gz DEAGXNABUPXEEM-AWEZNQCLSA-N 0 1 264.413 2.533 20 30 CFEDMN C=C(C)CN1CCCN(C(=O)[C@@H]2CCC[C@H](F)C2)CC1 ZINC000981143000 613309591 /nfs/dbraw/zinc/30/95/91/613309591.db2.gz XRADLMHRNVXNAS-CABCVRRESA-N 0 1 282.403 2.625 20 30 CFEDMN C=C(C)CN1CCCN(C(=O)[C@H](C)c2ccc(C)o2)CC1 ZINC000982111300 613310127 /nfs/dbraw/zinc/31/01/27/613310127.db2.gz QJBWCVXPLHMHCJ-OAHLLOKOSA-N 0 1 290.407 2.802 20 30 CFEDMN C=C(C)CN1CCCN(C(=O)[C@@H]2C[C@@]2(C)C(C)C)CC1 ZINC000983431144 613310197 /nfs/dbraw/zinc/31/01/97/613310197.db2.gz VIJUVMFURDXAJJ-RDJZCZTQSA-N 0 1 278.440 2.779 20 30 CFEDMN C=C(C)CN1CCCN(C(=O)[C@H]2C[C@H]2C2CCCC2)CC1 ZINC000983227598 613311495 /nfs/dbraw/zinc/31/14/95/613311495.db2.gz WUXFJEBVVCZHNM-IRXDYDNUSA-N 0 1 290.451 2.923 20 30 CFEDMN C=C(C)CN1CCCN(C(=O)c2cc(C)oc2C)CC1 ZINC000980690241 613311681 /nfs/dbraw/zinc/31/16/81/613311681.db2.gz WCIMOADLDPAKNV-UHFFFAOYSA-N 0 1 276.380 2.620 20 30 CFEDMN C=C(C)CN1CCCN(C(=O)c2ccc(F)c(C)c2)CC1 ZINC000981853430 613311803 /nfs/dbraw/zinc/31/18/03/613311803.db2.gz PKPPJHSQIYUGRG-UHFFFAOYSA-N 0 1 290.382 2.858 20 30 CFEDMN C=C(C)CN1CC[C@@H](C)[C@@H](NC(=O)c2oc(C)cc2C)C1 ZINC000965722709 613325080 /nfs/dbraw/zinc/32/50/80/613325080.db2.gz RBCYXDLCZLJDDK-DOMZBBRYSA-N 0 1 290.407 2.913 20 30 CFEDMN C=C(C)CN1CC[C@@H](C)[C@H](NC(=O)c2ccc(CC)o2)C1 ZINC000966971994 613325904 /nfs/dbraw/zinc/32/59/04/613325904.db2.gz BELVXOVGSNCDLC-UKRRQHHQSA-N 0 1 290.407 2.858 20 30 CFEDMN C=C(Cl)CN1CC[C@H]([C@H]2CCCN(C(=O)CC)C2)C1 ZINC000961071940 613379740 /nfs/dbraw/zinc/37/97/40/613379740.db2.gz XNSGTKWENJRHEZ-KBPBESRZSA-N 0 1 284.831 2.709 20 30 CFEDMN C=C(Cl)CN[C@@H]1CCN(C(=O)C2(C)CCCCC2)C1 ZINC000969811609 613384357 /nfs/dbraw/zinc/38/43/57/613384357.db2.gz SGWCSWCYJVZQFP-CYBMUJFWSA-N 0 1 284.831 2.900 20 30 CFEDMN C=C(Cl)CN[C@@H]1CCN(C(=O)C2CC3(CCC3)C2)C1 ZINC000969645635 613384395 /nfs/dbraw/zinc/38/43/95/613384395.db2.gz IWAHLHIOJCDVMZ-CYBMUJFWSA-N 0 1 282.815 2.510 20 30 CFEDMN C=C(Cl)CN[C@@H]1CCN(C(=O)CC2CCCC2)C1 ZINC000966516617 613384545 /nfs/dbraw/zinc/38/45/45/613384545.db2.gz NPIJLJVACGVNNM-CYBMUJFWSA-N 0 1 270.804 2.510 20 30 CFEDMN C=C(Cl)CN[C@@H]1CCN(C(=O)[C@@H]2CC[C@@H]3C[C@@H]3CC2)C1 ZINC000969429675 613385466 /nfs/dbraw/zinc/38/54/66/613385466.db2.gz UATBQZGVGJYJCF-APIJFGDWSA-N 0 1 296.842 2.756 20 30 CFEDMN C=C(Cl)CN[C@@H]1CCN(C(=O)c2ccc(C)cc2C)C1 ZINC000970618365 613385679 /nfs/dbraw/zinc/38/56/79/613385679.db2.gz OLPCGJOXNQMJDS-CQSZACIVSA-N 0 1 292.810 2.860 20 30 CFEDMN C=C(Cl)CN[C@@H]1CCN(C(=O)c2cccc(C)c2C)C1 ZINC000970621639 613385841 /nfs/dbraw/zinc/38/58/41/613385841.db2.gz XTYVNPSUDHTXDE-CQSZACIVSA-N 0 1 292.810 2.860 20 30 CFEDMN C=C(Cl)CN[C@@H]1CCN(C(=O)c2cccc(C)c2F)C1 ZINC000968760373 613385863 /nfs/dbraw/zinc/38/58/63/613385863.db2.gz PSEIZEWLZVCTDV-GFCCVEGCSA-N 0 1 296.773 2.691 20 30 CFEDMN C=C(Cl)CN[C@@H]1CCN(C(=O)c2occc2C(C)C)C1 ZINC000969692585 613386026 /nfs/dbraw/zinc/38/60/26/613386026.db2.gz MMJPKZVDANCRIH-GFCCVEGCSA-N 0 1 296.798 2.960 20 30 CFEDMN C=C1CC(C)(C(=O)N[C@@H]2CCN(C/C=C/Cl)C[C@@H]2C)C1 ZINC000942608623 613396837 /nfs/dbraw/zinc/39/68/37/613396837.db2.gz XUXFLAAWWZPKAU-CNPQOGTOSA-N 0 1 296.842 2.922 20 30 CFEDMN C=CCCN1CCN(C(=O)C2C[C@H](C)C[C@@H](C)C2)CC1 ZINC000957819947 613501997 /nfs/dbraw/zinc/50/19/97/613501997.db2.gz URQQCJIVZJUHCB-HUUCEWRRSA-N 0 1 278.440 2.779 20 30 CFEDMN C=CCCN1CCN(C(=O)C(C)(C)C2CCCC2)CC1 ZINC000948797963 613502143 /nfs/dbraw/zinc/50/21/43/613502143.db2.gz GEOVHFCPXYVIFM-UHFFFAOYSA-N 0 1 278.440 2.923 20 30 CFEDMN C=C[C@](C)(CC)C(=O)N1CCN(CCCC)CC1 ZINC000950051881 613502249 /nfs/dbraw/zinc/50/22/49/613502249.db2.gz XSQNBFGUXBLEJW-OAHLLOKOSA-N 0 1 252.402 2.533 20 30 CFEDMN C=CCCN1CCN(C(=O)C2(CC)CCCC2)CC1 ZINC000956989282 613502406 /nfs/dbraw/zinc/50/24/06/613502406.db2.gz RKESIQSLWFWRPI-UHFFFAOYSA-N 0 1 264.413 2.677 20 30 CFEDMN C=CCCN1CCN(C(=O)Cc2cccc(C3CC3)c2)CC1 ZINC000949453560 613504496 /nfs/dbraw/zinc/50/44/96/613504496.db2.gz VABLDSALDZNIIO-UHFFFAOYSA-N 0 1 298.430 2.827 20 30 CFEDMN C=CCCN1CCN(C(=O)Cc2cccc(CC)c2)CC1 ZINC000948926634 613504514 /nfs/dbraw/zinc/50/45/14/613504514.db2.gz AJTMTBHOCMHTFX-UHFFFAOYSA-N 0 1 286.419 2.512 20 30 CFEDMN C=CCCN1CCN(C(=O)C[C@H]2CC[C@H](C)C2)CC1 ZINC000949737279 613504559 /nfs/dbraw/zinc/50/45/59/613504559.db2.gz BIWVNGQLANSSPG-GJZGRUSLSA-N 0 1 264.413 2.533 20 30 CFEDMN C=C[C@](C)(CC)C(=O)N1C[C@@]2(C)CN(CCF)C[C@@]2(C)C1 ZINC000982508147 613505083 /nfs/dbraw/zinc/50/50/83/613505083.db2.gz SQANMOGXCPAKQL-ZACQAIPSSA-N 0 1 296.430 2.729 20 30 CFEDMN C=CCCN1CCN(C(=O)[C@H](C)c2ccccc2C)CC1 ZINC000957739799 613507574 /nfs/dbraw/zinc/50/75/74/613507574.db2.gz MXMCUQLVKPDOGI-MRXNPFEDSA-N 0 1 286.419 2.819 20 30 CFEDMN C=CCCN1CCN(C(=O)[C@H]2C[C@]2(CC)C(C)C)CC1 ZINC000956971145 613509213 /nfs/dbraw/zinc/50/92/13/613509213.db2.gz UKOICMLTSKINFC-NVXWUHKLSA-N 0 1 278.440 2.779 20 30 CFEDMN C=CCCN1CCN(C(=O)c2ccc(C)cc2Cl)CC1 ZINC000950647658 613510146 /nfs/dbraw/zinc/51/01/46/613510146.db2.gz PSYWCPUIOAHZPX-UHFFFAOYSA-N 0 1 292.810 2.982 20 30 CFEDMN C=CCCN1CCN(C(=O)c2cc3ccccc3n2C)CC1 ZINC000949917892 613510319 /nfs/dbraw/zinc/51/03/19/613510319.db2.gz CIMBWYAAKMSHPW-UHFFFAOYSA-N 0 1 297.402 2.512 20 30 CFEDMN C=CCCN1CCN(C(=O)c2ccc(C(F)F)cc2)CC1 ZINC000951765886 613510529 /nfs/dbraw/zinc/51/05/29/613510529.db2.gz WLGZGQIHKBEBRW-UHFFFAOYSA-N 0 1 294.345 2.958 20 30 CFEDMN CC#CCN1CC([C@@H](C)NC(=O)c2cccc(C(C)C)c2)C1 ZINC000970690990 613533115 /nfs/dbraw/zinc/53/31/15/613533115.db2.gz XHWSDJYIZKUBIR-OAHLLOKOSA-N 0 1 298.430 2.883 20 30 CFEDMN CC#CCN1CC([C@H](C)NC(=O)[C@@H]2CCC=CCCC2)C1 ZINC000969954725 613536231 /nfs/dbraw/zinc/53/62/31/613536231.db2.gz UDMXIHYQJYPUGL-JKSUJKDBSA-N 0 1 288.435 2.583 20 30 CFEDMN CC#CCN1CC[C@H](C)[C@H](NC(=O)C2C(C)(C)C2(C)C)C1 ZINC000965863647 613593134 /nfs/dbraw/zinc/59/31/34/613593134.db2.gz RPWBVCVYXMULMA-UONOGXRCSA-N 0 1 290.451 2.519 20 30 CFEDMN CC#CCN1CC[C@H](NC(=O)c2cccs2)C(C)(C)C1 ZINC000940549343 613603472 /nfs/dbraw/zinc/60/34/72/613603472.db2.gz AWYFBTDBGFUPFQ-AWEZNQCLSA-N 0 1 290.432 2.602 20 30 CFEDMN CC#CCN1C[C@@H](NC(=O)CC2CC(C)(C)C2)C(C)(C)C1 ZINC000974956997 613608153 /nfs/dbraw/zinc/60/81/53/613608153.db2.gz JENQJYKYWCYLIH-OAHLLOKOSA-N 0 1 290.451 2.663 20 30 CFEDMN CC#CCN1C[C@@H](NC(=O)C[C@H]2C=CCCC2)C(C)(C)C1 ZINC000974738597 613608187 /nfs/dbraw/zinc/60/81/87/613608187.db2.gz IVZHUOVRVGUTIS-JKSUJKDBSA-N 0 1 288.435 2.583 20 30 CFEDMN CC#CCN1C[C@@H](NC(=O)[C@@H](C)c2ccccc2)C(C)(C)C1 ZINC000977503519 613609115 /nfs/dbraw/zinc/60/91/15/613609115.db2.gz XHLLYQFKWMNXFY-DOTOQJQBSA-N 0 1 298.430 2.640 20 30 CFEDMN CC#CCN1C[C@H](NC(=O)C[C@H]2C=CCCC2)C(C)(C)C1 ZINC000974738592 613620036 /nfs/dbraw/zinc/62/00/36/613620036.db2.gz IVZHUOVRVGUTIS-HOTGVXAUSA-N 0 1 288.435 2.583 20 30 CFEDMN C=CCN1CC([C@@H](C)NC(=O)[C@@H]2C[C@H]2c2cccc(C)c2)C1 ZINC000970565935 613662575 /nfs/dbraw/zinc/66/25/75/613662575.db2.gz FDTGMDFJGIRNPQ-FHLIZLRMSA-N 0 1 298.430 2.721 20 30 CFEDMN C=CCN1CC([C@@H](C)NC(=O)c2c(F)cccc2Cl)C1 ZINC000970785127 613663828 /nfs/dbraw/zinc/66/38/28/613663828.db2.gz XJRNNUACZSDTFN-SNVBAGLBSA-N 0 1 296.773 2.715 20 30 CFEDMN C=CCN1CC([C@@H](C)NC(=O)c2cc3c(cccc3C)o2)C1 ZINC000970947806 613664781 /nfs/dbraw/zinc/66/47/81/613664781.db2.gz MTBWRLBTYMLZFI-CYBMUJFWSA-N 0 1 298.386 2.977 20 30 CFEDMN C=CCN1CC([C@@H](C)NC(=O)c2ccc(CC)s2)C1 ZINC000970087622 613665469 /nfs/dbraw/zinc/66/54/69/613665469.db2.gz COSNGTOVEPRQBU-LLVKDONJSA-N 0 1 278.421 2.547 20 30 CFEDMN C=CCN1CC([C@@H](C)NC(=O)c2ccccc2Cl)C1 ZINC000970770836 613665982 /nfs/dbraw/zinc/66/59/82/613665982.db2.gz FSHSPGVCJGUSPO-LLVKDONJSA-N 0 1 278.783 2.576 20 30 CFEDMN C=CCN1CC([C@H](C)NC(=O)C2[C@@H]3CCCCCC[C@@H]23)C1 ZINC000970476361 613668627 /nfs/dbraw/zinc/66/86/27/613668627.db2.gz MNACELQXIMRODU-NUEKZKHPSA-N 0 1 290.451 2.825 20 30 CFEDMN C=CCN1CC([C@H](C)NC(=O)c2cc(C)c(CC)s2)C1 ZINC000970850593 613670689 /nfs/dbraw/zinc/67/06/89/613670689.db2.gz DOWKEJNMUQZIKF-LBPRGKRZSA-N 0 1 292.448 2.855 20 30 CFEDMN C=CCN1CC([C@H](C)NC(=O)c2cc(Cl)ccc2C)C1 ZINC000970609861 613671064 /nfs/dbraw/zinc/67/10/64/613671064.db2.gz HQFDAWFDOYYGIO-LBPRGKRZSA-N 0 1 292.810 2.885 20 30 CFEDMN C=CCN1CC([C@H](C)NC(=O)c2ccc3c(c2)CCCC3)C1 ZINC000970843739 613671663 /nfs/dbraw/zinc/67/16/63/613671663.db2.gz VQAZUWZJHWGFBU-AWEZNQCLSA-N 0 1 298.430 2.802 20 30 CFEDMN C=CCN1CC([C@H](C)NC(=O)c2cccc(C)c2Cl)C1 ZINC000970610937 613672135 /nfs/dbraw/zinc/67/21/35/613672135.db2.gz VNLOMELKTTZCAE-LBPRGKRZSA-N 0 1 292.810 2.885 20 30 CFEDMN C=CCN1CCCN(C(=O)CC2(c3ccccc3)CC2)CC1 ZINC000981300454 613688372 /nfs/dbraw/zinc/68/83/72/613688372.db2.gz OTXYGUAJQLJIAM-UHFFFAOYSA-N 0 1 298.430 2.829 20 30 CFEDMN C=CCN1CCCN(C(=O)C[C@@H]2CCC[C@@H]2C)CC1 ZINC000981225563 613689500 /nfs/dbraw/zinc/68/95/00/613689500.db2.gz PFXJDKRRXWJYIC-GJZGRUSLSA-N 0 1 264.413 2.533 20 30 CFEDMN C=CCN1CCCN(C(=O)[C@@]2(C)CCC[C@@H]2CC)CC1 ZINC000981451244 613692900 /nfs/dbraw/zinc/69/29/00/613692900.db2.gz QYYLVEGPHZZPMM-RDJZCZTQSA-N 0 1 278.440 2.923 20 30 CFEDMN C=CCN1CCCN(C(=O)[C@H]2CCC[C@@H](C)C2)CC1 ZINC000981844591 613694855 /nfs/dbraw/zinc/69/48/55/613694855.db2.gz FDKBKKNTKVUGLE-CABCVRRESA-N 0 1 264.413 2.533 20 30 CFEDMN C=CCN1CCCN(C(=O)c2ccc3[nH]ccc3c2)CC1 ZINC000981849700 613696976 /nfs/dbraw/zinc/69/69/76/613696976.db2.gz SSAQTZMYSOZGRN-UHFFFAOYSA-N 0 1 283.375 2.502 20 30 CFEDMN C=CCN1CCCN(C(=O)c2ccc3c(c2)C=CCC3)CC1 ZINC000982190902 613697292 /nfs/dbraw/zinc/69/72/92/613697292.db2.gz VKCYTKJBBZASII-UHFFFAOYSA-N 0 1 296.414 2.980 20 30 CFEDMN C=CCN1CCCN(C(=O)c2cccc3cccnc32)CC1 ZINC000981564017 613698053 /nfs/dbraw/zinc/69/80/53/613698053.db2.gz XTYOWTAPLBYGTQ-UHFFFAOYSA-N 0 1 295.386 2.569 20 30 CFEDMN C=CCN1CCCN(C(=O)c2ccn(C(C)C)c2C)CC1 ZINC000981804281 613698400 /nfs/dbraw/zinc/69/84/00/613698400.db2.gz MVWJDNYXAZVKFS-UHFFFAOYSA-N 0 1 289.423 2.711 20 30 CFEDMN C=CCN1CC[C@@H](C)[C@H](NC(=O)c2ccc(C)c(F)c2)C1 ZINC000967279698 613734178 /nfs/dbraw/zinc/73/41/78/613734178.db2.gz PNRQBOMILUDANR-CZUORRHYSA-N 0 1 290.382 2.760 20 30 CFEDMN C=CCN1CC[C@H](C)[C@@H](NC(=O)c2ccc(C)cc2C)C1 ZINC000968610454 613768534 /nfs/dbraw/zinc/76/85/34/613768534.db2.gz QHTUWDVIIWNYFW-YOEHRIQHSA-N 0 1 286.419 2.930 20 30 CFEDMN C=CCN1CC[C@H](C)[C@@H](NC(=O)c2oc(C)cc2C)C1 ZINC000965846275 613770883 /nfs/dbraw/zinc/77/08/83/613770883.db2.gz YCMQLINIEFJPCJ-FZMZJTMJSA-N 0 1 276.380 2.523 20 30 CFEDMN C=CCN1CC[C@H](C)[C@H](NC(=O)C2CCC(=C)CC2)C1 ZINC000968193632 613771610 /nfs/dbraw/zinc/77/16/10/613771610.db2.gz VOJJRGPOSZWJOA-GOEBONIOSA-N 0 1 276.424 2.745 20 30 CFEDMN C=CCN1CC[C@H](C)[C@H](NC(=O)c2cc(C)sc2C)C1 ZINC000967273783 613773216 /nfs/dbraw/zinc/77/32/16/613773216.db2.gz NPLGLXQDEFEAQS-XHDPSFHLSA-N 0 1 292.448 2.991 20 30 CFEDMN C=CCN1CC[C@H](C)[C@H](NC(=O)c2cc(C)c(CC)o2)C1 ZINC000968541229 613773251 /nfs/dbraw/zinc/77/32/51/613773251.db2.gz ZLBHOVKBWLBAOY-GXTWGEPZSA-N 0 1 290.407 2.777 20 30 CFEDMN C=CCN1CC[C@H](C)[C@H](NC(=O)c2cc(C)oc2C)C1 ZINC000965034346 613773600 /nfs/dbraw/zinc/77/36/00/613773600.db2.gz PVGMRSYMFKNWBR-XHDPSFHLSA-N 0 1 276.380 2.523 20 30 CFEDMN C=CCN1CC[C@H](C)[C@H](NC(=O)c2ccoc2CCC)C1 ZINC000968543379 613774751 /nfs/dbraw/zinc/77/47/51/613774751.db2.gz AXVNNCYUCRFWOI-DZGCQCFKSA-N 0 1 290.407 2.858 20 30 CFEDMN C=CCN1C[C@@H](NC(=O)C2(C3CCC3)CCC2)C(C)(C)C1 ZINC000974890980 613806094 /nfs/dbraw/zinc/80/60/94/613806094.db2.gz CHNZEHJWCNVLMU-OAHLLOKOSA-N 0 1 290.451 2.969 20 30 CFEDMN C=CCN1C[C@@H](NC(=O)C2CCC3(CC3)CC2)C(C)(C)C1 ZINC000974844892 613806220 /nfs/dbraw/zinc/80/62/20/613806220.db2.gz RDTZBPKCSDPYHL-OAHLLOKOSA-N 0 1 290.451 2.969 20 30 CFEDMN C=CCN1C[C@@H](NC(=O)[C@@H]2C[C@@H]3C=C[C@H]2CC3)C(C)(C)C1 ZINC000974621421 613807792 /nfs/dbraw/zinc/80/77/92/613807792.db2.gz WBORLHMDFCFJAG-QKPAOTATSA-N 0 1 288.435 2.601 20 30 CFEDMN C=CCN1C[C@@H](NC(=O)[C@H](C)c2ccc(C)o2)C(C)(C)C1 ZINC000977274530 613808488 /nfs/dbraw/zinc/80/84/88/613808488.db2.gz SSUROYCAPVQITM-UKRRQHHQSA-N 0 1 290.407 2.704 20 30 CFEDMN C=CCN1C[C@@H](NC(=O)c2ccnc(C3CC3)c2)C(C)(C)C1 ZINC000974779912 613810765 /nfs/dbraw/zinc/81/07/65/613810765.db2.gz RGCMOKSCXMLQQI-MRXNPFEDSA-N 0 1 299.418 2.585 20 30 CFEDMN C=CCN1C[C@H](NC(=O)[C@@H]2C[C@H]2c2ccccc2)C(C)(C)C1 ZINC000977490437 613827380 /nfs/dbraw/zinc/82/73/80/613827380.db2.gz ACHREYAXAFAZOG-BBWFWOEESA-N 0 1 298.430 2.803 20 30 CFEDMN C=CCN1C[C@H](NC(=O)[C@@H]2CCCC3(CC3)C2)C(C)(C)C1 ZINC000974593973 613827441 /nfs/dbraw/zinc/82/74/41/613827441.db2.gz PZDJOVPYMSJUGF-CABCVRRESA-N 0 1 290.451 2.969 20 30 CFEDMN C=CCN1C[C@H](NC(=O)c2ccc(Cl)o2)C(C)(C)C1 ZINC000972812916 613828775 /nfs/dbraw/zinc/82/87/75/613828775.db2.gz DNDUGRXFPUQJBR-NSHDSACASA-N 0 1 282.771 2.559 20 30 CFEDMN CCC(=O)N(C)[C@@H]1CCCN(CC#Cc2ccccc2)CC1 ZINC000948116498 614466155 /nfs/dbraw/zinc/46/61/55/614466155.db2.gz KBBFCHCINGKZKZ-GOSISDBHSA-N 0 1 298.430 2.761 20 30 CFEDMN Oc1c(F)cc(Cl)cc1C=NNC[C@@H]1CCSC1 ZINC000811661938 617693136 /nfs/dbraw/zinc/69/31/36/617693136.db2.gz XEDJPTQMVVPHLN-QMMMGPOBSA-N 0 1 288.775 2.861 20 30 CFEDMN C#C[C@@H]1CCCCN1C(=O)c1cnc(-c2ccccc2)[nH]1 ZINC000890650705 617736428 /nfs/dbraw/zinc/73/64/28/617736428.db2.gz PAEDBNILDBALNV-CQSZACIVSA-N 0 1 279.343 2.705 20 30 CFEDMN CN(Cc1cc(C#N)cs1)C[C@@H](O)c1ccccc1 ZINC000933772589 617775347 /nfs/dbraw/zinc/77/53/47/617775347.db2.gz QSCWYRNMILAVSC-OAHLLOKOSA-N 0 1 272.373 2.785 20 30 CFEDMN C(=NNc1nc2ccccc2[nH]1)c1cnn(C2CCC2)c1 ZINC000901128978 620754198 /nfs/dbraw/zinc/75/41/98/620754198.db2.gz STEWPJWKRLWXIO-UHFFFAOYSA-N 0 1 280.335 2.930 20 30 CFEDMN Cn1c2ccccc2[nH+]c1[N-]N=Cc1nccn1C1CC1 ZINC000901169745 620760879 /nfs/dbraw/zinc/76/08/79/620760879.db2.gz MEPLAOONXZKVDD-UHFFFAOYSA-N 0 1 280.335 2.551 20 30 CFEDMN C=CCCCN(CC)C(=O)c1cc(O)cc([N+](=O)[O-])c1 ZINC000890812385 617910121 /nfs/dbraw/zinc/91/01/21/617910121.db2.gz XJHCMZNKBPJUFF-UHFFFAOYSA-N 0 1 278.308 2.729 20 30 CFEDMN Cc1ccnc(N=NCc2cnn(CC3CCC3)c2)c1 ZINC000901198213 620763503 /nfs/dbraw/zinc/76/35/03/620763503.db2.gz IERFJGPCFXHHFA-UHFFFAOYSA-N 0 1 269.352 2.833 20 30 CFEDMN CCn1cc(/C=C\C(=O)c2ccc(O)c(F)c2)cn1 ZINC000255058608 617935001 /nfs/dbraw/zinc/93/50/01/617935001.db2.gz MBIZHYOTWZHGFR-HYXAFXHYSA-N 0 1 260.268 2.644 20 30 CFEDMN CC(=NNC1=NC[C@@H](C)N1)c1csc2ccccc12 ZINC000901214787 620765997 /nfs/dbraw/zinc/76/59/97/620765997.db2.gz DPEMFBNBRQNICO-SECBINFHSA-N 0 1 272.377 2.563 20 30 CFEDMN C=CC(C)(C)NC(=O)NC[C@H](c1ccc(F)cc1)N(C)C ZINC000892172087 617981253 /nfs/dbraw/zinc/98/12/53/617981253.db2.gz DXRDUODKXJQLTN-CQSZACIVSA-N 0 1 293.386 2.692 20 30 CFEDMN Cn1c2ccccc2nc1C(C#N)C(=O)C1(C)CC1 ZINC000161171642 618006743 /nfs/dbraw/zinc/00/67/43/618006743.db2.gz JQYVYKXXFYKLEC-JTQLQIEISA-N 0 1 253.305 2.550 20 30 CFEDMN CC(C)Cc1ccc(CN=Nc2cncnc2)cn1 ZINC000901237083 620769620 /nfs/dbraw/zinc/76/96/20/620769620.db2.gz LOHUWQFZKQYJKJ-UHFFFAOYSA-N 0 1 255.325 2.516 20 30 CFEDMN C#C[C@@H]1CCC[N@@H+](Cc2cc(Br)ccc2[O-])C1 ZINC000848923195 618035352 /nfs/dbraw/zinc/03/53/52/618035352.db2.gz BCGLZVOYUFGEMU-LLVKDONJSA-N 0 1 294.192 3.000 20 30 CFEDMN C#C[C@@H]1CCC[N@H+](Cc2cc(Br)ccc2[O-])C1 ZINC000848923195 618035357 /nfs/dbraw/zinc/03/53/57/618035357.db2.gz BCGLZVOYUFGEMU-LLVKDONJSA-N 0 1 294.192 3.000 20 30 CFEDMN C=CC[C@H]1CC[N@H+]1Cc1cc(=O)oc2cc([O-])ccc12 ZINC000934468007 618044343 /nfs/dbraw/zinc/04/43/43/618044343.db2.gz YCPQMKHFIBQGIC-LBPRGKRZSA-N 0 1 271.316 2.649 20 30 CFEDMN C=CC[C@H]1CC[N@@H+]1Cc1cc(=O)oc2cc([O-])ccc12 ZINC000934468007 618044345 /nfs/dbraw/zinc/04/43/45/618044345.db2.gz YCPQMKHFIBQGIC-LBPRGKRZSA-N 0 1 271.316 2.649 20 30 CFEDMN C/C(=C(/F)C(=O)Nc1cc(C#N)ccc1O)C1CC1 ZINC000901224240 620774030 /nfs/dbraw/zinc/77/40/30/620774030.db2.gz AYQZZBDPNUVCMB-JYRVWZFOSA-N 0 1 260.268 2.856 20 30 CFEDMN COc1ccc(NN=C(C)c2cnn(C3CCC3)c2)nc1 ZINC000901227250 620774283 /nfs/dbraw/zinc/77/42/83/620774283.db2.gz KHXMAFRIDXPXNQ-UHFFFAOYSA-N 0 1 285.351 2.848 20 30 CFEDMN C=C(Br)CN[C@H](CO)[C@H](C)c1ccccc1 ZINC000309355312 618104176 /nfs/dbraw/zinc/10/41/76/618104176.db2.gz NVBAWRZZGMFKJK-DGCLKSJQSA-N 0 1 284.197 2.649 20 30 CFEDMN CCO[C@H]1CCN(CC#Cc2ccc(Cl)cc2)C1 ZINC000932970898 618129952 /nfs/dbraw/zinc/12/99/52/618129952.db2.gz FJXAEQJMOLZVJZ-HNNXBMFYSA-N 0 1 263.768 2.802 20 30 CFEDMN C#Cc1ccc(NC(=O)N2C[C@H](C)N(CC)C[C@@H]2C)cc1 ZINC000934932359 618160337 /nfs/dbraw/zinc/16/03/37/618160337.db2.gz GJWMCJFHMJUIMY-KBPBESRZSA-N 0 1 285.391 2.614 20 30 CFEDMN C[C@@H]1CC(NN=Cc2cccc(Cl)c2O)C[C@@H](C)O1 ZINC000901310381 620782763 /nfs/dbraw/zinc/78/27/63/620782763.db2.gz KEZHAJCGDIKFDC-NXEZZACHSA-N 0 1 282.771 2.925 20 30 CFEDMN C#CCC1(NCc2onc(C)c2[N+](=O)[O-])CCCCC1 ZINC000933265614 618179467 /nfs/dbraw/zinc/17/94/67/618179467.db2.gz GHXFCKNPWPULTR-UHFFFAOYSA-N 0 1 277.324 2.707 20 30 CFEDMN N#Cc1ccc(O)c(NC(=O)Cc2c[nH]c3ccccc23)c1 ZINC000176832577 618207727 /nfs/dbraw/zinc/20/77/27/618207727.db2.gz FLZVCLDKPOCFRF-UHFFFAOYSA-N 0 1 291.310 2.926 20 30 CFEDMN Oc1cc(F)c(Cl)cc1C=Nn1nnc2c1CCCC2 ZINC000901329332 620786058 /nfs/dbraw/zinc/78/60/58/620786058.db2.gz VQKVXQGJRHYXIM-UHFFFAOYSA-N 0 1 294.717 2.537 20 30 CFEDMN CNC(=O)c1ccc(/C=C\C(=O)c2cc(F)ccc2O)cc1 ZINC000255617674 618231732 /nfs/dbraw/zinc/23/17/32/618231732.db2.gz FUNVRZPEIOLHEZ-YWEYNIOJSA-N 0 1 299.301 2.787 20 30 CFEDMN C#CCN(C)[C@H]1CCN(C(=O)c2ccc(C(C)(C)C)cc2)C1 ZINC000972785873 618235560 /nfs/dbraw/zinc/23/55/60/618235560.db2.gz LEGIIBXYGZMEML-KRWDZBQOSA-N 0 1 298.430 2.764 20 30 CFEDMN CCC[C@@H](CN1CCN(C(=O)CC#N)CC1)c1ccccc1 ZINC000895066474 618252785 /nfs/dbraw/zinc/25/27/85/618252785.db2.gz SWIQQEBHVZYIND-KRWDZBQOSA-N 0 1 299.418 2.628 20 30 CFEDMN C[C@@H](CCC#N)CN1CCc2nc[nH]c2C12CCC2 ZINC000895069094 618255641 /nfs/dbraw/zinc/25/56/41/618255641.db2.gz PTTRQJSYOICJPB-LBPRGKRZSA-N 0 1 258.369 2.587 20 30 CFEDMN Cc1cc(F)c(C#N)c(NCc2n[nH]c(C3CC3)n2)c1 ZINC000894030656 618275925 /nfs/dbraw/zinc/27/59/25/618275925.db2.gz WLPPPQDUKOHHAO-UHFFFAOYSA-N 0 1 271.299 2.613 20 30 CFEDMN C#C[C@H](N[C@@H](C)c1ccc(OC)cc1)[C@@H]1CCCO1 ZINC000775574056 618280715 /nfs/dbraw/zinc/28/07/15/618280715.db2.gz NJAFCUSKCZLWEM-RCBQFDQVSA-N 0 1 259.349 2.527 20 30 CFEDMN Cc1cc(C#N)ccc1NCc1n[nH]c(C(C)C)n1 ZINC000894030266 618282361 /nfs/dbraw/zinc/28/23/61/618282361.db2.gz OYKUFVXMQBQELY-UHFFFAOYSA-N 0 1 255.325 2.720 20 30 CFEDMN C[C@@H]1CN(Cc2ccccc2CF)C[C@@H](C)N1CC#N ZINC000930828626 618288544 /nfs/dbraw/zinc/28/85/44/618288544.db2.gz LUKDQXWDPPBUQH-ZIAGYGMSSA-N 0 1 275.371 2.574 20 30 CFEDMN C#CC[N@H+](Cc1ccc(F)cc1)C[C@@H]1CCC=CO1 ZINC000193808109 618291098 /nfs/dbraw/zinc/29/10/98/618291098.db2.gz HIXWQRMXXPENPV-INIZCTEOSA-N 0 1 259.324 2.954 20 30 CFEDMN C#CCN(Cc1ccc(F)cc1)C[C@@H]1CCC=CO1 ZINC000193808109 618291101 /nfs/dbraw/zinc/29/11/01/618291101.db2.gz HIXWQRMXXPENPV-INIZCTEOSA-N 0 1 259.324 2.954 20 30 CFEDMN C=C(C)C[N@H+]1CCCC[C@@H]1CNC(=O)c1occc1C ZINC001024330920 618294647 /nfs/dbraw/zinc/29/46/47/618294647.db2.gz BCAWJVBWGODTLO-CQSZACIVSA-N 0 1 276.380 2.748 20 30 CFEDMN C=C(C)CN1CCCC[C@@H]1CNC(=O)c1occc1C ZINC001024330920 618294650 /nfs/dbraw/zinc/29/46/50/618294650.db2.gz BCAWJVBWGODTLO-CQSZACIVSA-N 0 1 276.380 2.748 20 30 CFEDMN C#CCC[N@@H+]1CCCC[C@@H]1CNC(=O)c1ccc(Cl)o1 ZINC001024333205 618295019 /nfs/dbraw/zinc/29/50/19/618295019.db2.gz NLNZLAKGHGEZCE-GFCCVEGCSA-N 0 1 294.782 2.541 20 30 CFEDMN C#CCCN1CCCC[C@@H]1CNC(=O)c1ccc(Cl)o1 ZINC001024333205 618295022 /nfs/dbraw/zinc/29/50/22/618295022.db2.gz NLNZLAKGHGEZCE-GFCCVEGCSA-N 0 1 294.782 2.541 20 30 CFEDMN C#CCCN1CCCC[C@@H]1CNC(=O)c1cc(C)cs1 ZINC001024430251 618314121 /nfs/dbraw/zinc/31/41/21/618314121.db2.gz WJYWXUDDAHYSHV-CQSZACIVSA-N 0 1 290.432 2.664 20 30 CFEDMN C=CCN1CCCC[C@@H]1CNC(=O)[C@@H]1CCC(F)(F)C1 ZINC001024473603 618325638 /nfs/dbraw/zinc/32/56/38/618325638.db2.gz GTCYFUCRZLQQEU-CHWSQXEVSA-N 0 1 286.366 2.579 20 30 CFEDMN Cn1ncc(CN[C@@H]2CCc3cc(C#N)ccc32)c1C1CC1 ZINC000894101533 618333322 /nfs/dbraw/zinc/33/33/22/618333322.db2.gz ICKFPFCEQOQPSQ-QGZVFWFLSA-N 0 1 292.386 2.946 20 30 CFEDMN CC#CCN1CCCC[C@@H]1CNC(=O)[C@@H]1CCCC12CC2 ZINC001024504925 618337083 /nfs/dbraw/zinc/33/70/83/618337083.db2.gz SZDUITWUSWMVMY-CVEARBPZSA-N 0 1 288.435 2.561 20 30 CFEDMN N#Cc1ccc(O)c(NC(=O)C2C[C@H]3CCC[C@@H](C2)C3=O)c1 ZINC000179729845 618344897 /nfs/dbraw/zinc/34/48/97/618344897.db2.gz IIDYMZCCLBMOBK-FUNVUKJBSA-N 0 1 298.342 2.598 20 30 CFEDMN C=CC[N@@H+](CC(=O)[O-])Cc1ccc(OCCC)cc1 ZINC000092468922 618346666 /nfs/dbraw/zinc/34/66/66/618346666.db2.gz LZGIJOODFSAWSB-UHFFFAOYSA-N 0 1 263.337 2.548 20 30 CFEDMN C=CCN1CCCC[C@@H]1CNC(=O)c1ccnc(C2CC2)c1 ZINC001024535982 618350251 /nfs/dbraw/zinc/35/02/51/618350251.db2.gz ZOPDMIXUENKVRX-MRXNPFEDSA-N 0 1 299.418 2.729 20 30 CFEDMN C=CCN1CCCC[C@H]1CNC(=O)c1c(C)oc(C)c1C ZINC001024541272 618355651 /nfs/dbraw/zinc/35/56/51/618355651.db2.gz GWAWZYNYEHDACO-HNNXBMFYSA-N 0 1 290.407 2.975 20 30 CFEDMN N#C[C@@H](C(=O)c1cnc(CC2CC2)s1)c1ccccn1 ZINC000892481911 618360057 /nfs/dbraw/zinc/36/00/57/618360057.db2.gz TULWWCGSWBDZRZ-LLVKDONJSA-N 0 1 283.356 2.981 20 30 CFEDMN N#CC(C(=O)c1cnc(CC2CC2)s1)c1ccccn1 ZINC000892481911 618360067 /nfs/dbraw/zinc/36/00/67/618360067.db2.gz TULWWCGSWBDZRZ-LLVKDONJSA-N 0 1 283.356 2.981 20 30 CFEDMN N#CC(C(=O)C[C@@H]1CCC2(CCC2)O1)c1ccccn1 ZINC000892483247 618360099 /nfs/dbraw/zinc/36/00/99/618360099.db2.gz LNQORONLDACWCJ-STQMWFEESA-N 0 1 270.332 2.750 20 30 CFEDMN C=CCN1CCCC[C@H]1CNC(=O)[C@@H]1CCCC1(C)C ZINC001024607074 618413309 /nfs/dbraw/zinc/41/33/09/618413309.db2.gz AKSUQPBCLXFPHT-GJZGRUSLSA-N 0 1 278.440 2.969 20 30 CFEDMN Oc1c(F)cc(C=NNCc2ccccc2)cc1F ZINC000749854149 618443171 /nfs/dbraw/zinc/44/31/71/618443171.db2.gz FJEFLYIHSUWSLD-UHFFFAOYSA-N 0 1 262.259 2.794 20 30 CFEDMN CC#CCN1CCCC[C@H]1CNC(=O)c1cc(C)cc(C)c1 ZINC001024778469 618468654 /nfs/dbraw/zinc/46/86/54/618468654.db2.gz ZENQIZZWSXDHOT-SFHVURJKSA-N 0 1 298.430 2.911 20 30 CFEDMN O=[N+]([O-])c1ccc(C=NNc2cnc3ccccc3n2)o1 ZINC000727258391 618475492 /nfs/dbraw/zinc/47/54/92/618475492.db2.gz HNLATXRZQNFZQX-UHFFFAOYSA-N 0 1 283.247 2.577 20 30 CFEDMN Cc1ccc(N=NCc2cccc(OCC#N)c2)nc1 ZINC000727259503 618475584 /nfs/dbraw/zinc/47/55/84/618475584.db2.gz HRIXXBAQAZHZEQ-UHFFFAOYSA-N 0 1 266.304 2.738 20 30 CFEDMN C=CCN1c2ccccc2C(=N[N-]c2ccc(C)c[nH+]2)C1=O ZINC000727260238 618476008 /nfs/dbraw/zinc/47/60/08/618476008.db2.gz UDCZUZJEEBRHSK-UHFFFAOYSA-N 0 1 292.342 2.739 20 30 CFEDMN COc1ccc(CN=Nc2ccc(C)cn2)cc1OC ZINC000727260444 618476184 /nfs/dbraw/zinc/47/61/84/618476184.db2.gz WAZSCRODIPSFKV-UHFFFAOYSA-N 0 1 271.320 2.853 20 30 CFEDMN Clc1ccc2c(c1)CCC2=NNc1cncnc1 ZINC000794976176 618499126 /nfs/dbraw/zinc/49/91/26/618499126.db2.gz GHNLLLHHVLEPJX-UHFFFAOYSA-N 0 1 258.712 2.892 20 30 CFEDMN CC(C)c1nnc(CNCCc2ccc(C#N)cc2)s1 ZINC000895308697 618525522 /nfs/dbraw/zinc/52/55/22/618525522.db2.gz BBXUDBGAACFTGI-UHFFFAOYSA-N 0 1 286.404 2.865 20 30 CFEDMN N#CC[C@H]1CCCN(Cc2cn3ccnc3s2)C1 ZINC000895314537 618528601 /nfs/dbraw/zinc/52/86/01/618528601.db2.gz WUHXVQFCTFYVLH-LLVKDONJSA-N 0 1 260.366 2.521 20 30 CFEDMN C#CCOc1ccccc1CNc1nccn1CC ZINC000840886614 618678390 /nfs/dbraw/zinc/67/83/90/618678390.db2.gz JCVPVTNTEIYERM-UHFFFAOYSA-N 0 1 255.321 2.527 20 30 CFEDMN C=C(C)C[C@H](CO)N[C@@H]1COCc2cccc(Cl)c21 ZINC000926866054 618772762 /nfs/dbraw/zinc/77/27/62/618772762.db2.gz VBTWOLVIUUFYRF-TZMCWYRMSA-N 0 1 281.783 2.828 20 30 CFEDMN N#Cc1cc(Cl)cc(C[N@@H+]2CCC[C@H](CO)CC2)c1 ZINC000930588845 618875593 /nfs/dbraw/zinc/87/55/93/618875593.db2.gz JGFFAMLRPFJHRX-LBPRGKRZSA-N 0 1 278.783 2.806 20 30 CFEDMN N#Cc1cc(Cl)cc(CN2CCC[C@H](CO)CC2)c1 ZINC000930588845 618875596 /nfs/dbraw/zinc/87/55/96/618875596.db2.gz JGFFAMLRPFJHRX-LBPRGKRZSA-N 0 1 278.783 2.806 20 30 CFEDMN Cc1cc(F)ccc1[C@@H]1CCCN1C[C@H](O)CC#N ZINC000930664185 618913439 /nfs/dbraw/zinc/91/34/39/618913439.db2.gz STAMTXJOPPNARI-HIFRSBDPSA-N 0 1 262.328 2.546 20 30 CFEDMN Cc1cc(F)ccc1[C@H]1CCCN1C[C@H](O)CC#N ZINC000930664186 618913508 /nfs/dbraw/zinc/91/35/08/618913508.db2.gz STAMTXJOPPNARI-UKRRQHHQSA-N 0 1 262.328 2.546 20 30 CFEDMN FC(F)(F)CCON=Cc1cc(-c2cccnc2)[nH]n1 ZINC000777462736 618961759 /nfs/dbraw/zinc/96/17/59/618961759.db2.gz JZBNYXANEGARBZ-UHFFFAOYSA-N 0 1 284.241 2.775 20 30 CFEDMN Oc1c(F)cc(C=NOCCC(F)(F)F)cc1F ZINC000777462896 618961943 /nfs/dbraw/zinc/96/19/43/618961943.db2.gz QSYODUXSTFSKFW-UHFFFAOYSA-N 0 1 269.169 2.973 20 30 CFEDMN C=C(C)CN1CCC[C@@H](NC(=O)c2ccsc2)C1 ZINC001006679022 618974660 /nfs/dbraw/zinc/97/46/60/618974660.db2.gz NARGOCLWCJGKCB-CYBMUJFWSA-N 0 1 264.394 2.518 20 30 CFEDMN C=CCN1CCC[C@@H](NC(=O)c2ccoc2CCC)C1 ZINC001009197487 618983705 /nfs/dbraw/zinc/98/37/05/618983705.db2.gz VDPRMLPSCCFNPN-CYBMUJFWSA-N 0 1 276.380 2.612 20 30 CFEDMN C=CC(C)(C)NC(=O)NCCN(C)Cc1ccc(F)cc1 ZINC000893431686 618990527 /nfs/dbraw/zinc/99/05/27/618990527.db2.gz OJNBEFYKBHXPEX-UHFFFAOYSA-N 0 1 293.386 2.521 20 30 CFEDMN C=CCN1CCC[C@@H](NC(=O)[C@H]2CC3CCC2CC3)C1 ZINC001009634053 619004716 /nfs/dbraw/zinc/00/47/16/619004716.db2.gz IRFZNFFAABHIPZ-FJBKBRRZSA-N 0 1 276.424 2.579 20 30 CFEDMN C=CC[C@H](C)N1CCN(CC(F)(F)F)[C@H](C)C1 ZINC000878324256 619258984 /nfs/dbraw/zinc/25/89/84/619258984.db2.gz JERHTKZCZFTQKI-WDEREUQCSA-N 0 1 250.308 2.519 20 30 CFEDMN Cn1ncc(C=NNc2ncccc2Cl)c1Cl ZINC000814810153 619260301 /nfs/dbraw/zinc/26/03/01/619260301.db2.gz AISNOZAJEIVGDY-UHFFFAOYSA-N 0 1 270.123 2.568 20 30 CFEDMN C#C[C@H](NCc1c(Cl)n[nH]c1C1CC1)C(C)C ZINC000894387775 619363282 /nfs/dbraw/zinc/36/32/82/619363282.db2.gz VNGSANGTSHGXAD-NSHDSACASA-N 0 1 251.761 2.688 20 30 CFEDMN C#C[C@@H](CC)NCc1ccccc1OCC(F)F ZINC000894738141 619455182 /nfs/dbraw/zinc/45/51/82/619455182.db2.gz OEDCISYIPISNCD-LBPRGKRZSA-N 0 1 253.292 2.832 20 30 CFEDMN C#Cc1cccc(CNCc2ccc(OCCOC)o2)c1 ZINC000894775135 619461342 /nfs/dbraw/zinc/46/13/42/619461342.db2.gz FTAFUNYYQSECTQ-UHFFFAOYSA-N 0 1 285.343 2.576 20 30 CFEDMN C#Cc1ccc(CN[C@@H](C)c2cnc(C)nc2C)cc1 ZINC000894871714 619493178 /nfs/dbraw/zinc/49/31/78/619493178.db2.gz AWXYMLSXCPGUIM-LBPRGKRZSA-N 0 1 265.360 2.926 20 30 CFEDMN CCN(CC)c1ccc(C=NOCCOC)cc1F ZINC000748789895 619502070 /nfs/dbraw/zinc/50/20/70/619502070.db2.gz PYDXVNOFVYGUEQ-UHFFFAOYSA-N 0 1 268.332 2.669 20 30 CFEDMN CN1Cc2ccccc2[C@@H]1CNc1ccc(C#N)cc1CO ZINC000895022616 619529119 /nfs/dbraw/zinc/52/91/19/619529119.db2.gz XXAZSTKHTUMQLM-SFHVURJKSA-N 0 1 293.370 2.649 20 30 CFEDMN COc1ccc(CN=Nc2cccc(Cl)n2)cn1 ZINC000793161435 619533658 /nfs/dbraw/zinc/53/36/58/619533658.db2.gz KCLGIMZSSKVOPG-UHFFFAOYSA-N 0 1 262.700 2.585 20 30 CFEDMN C#CC[C@@H](CO)N[C@@H](C)c1ccc(-c2ccccc2)cn1 ZINC000895490801 619540769 /nfs/dbraw/zinc/54/07/69/619540769.db2.gz SPMFCPLULWCGAV-YOEHRIQHSA-N 0 1 280.371 2.783 20 30 CFEDMN C#CC1(NCc2cnc3ccccc3n2)CCCC1 ZINC000895676609 619580443 /nfs/dbraw/zinc/58/04/43/619580443.db2.gz AQGXWWULRJGNHV-UHFFFAOYSA-N 0 1 251.333 2.665 20 30 CFEDMN C#CCC1(O)CCN(C/C=C/c2ccc(F)cc2F)CC1 ZINC000895669702 619582362 /nfs/dbraw/zinc/58/23/62/619582362.db2.gz ITXCXIJMXMZDQW-ONEGZZNKSA-N 0 1 291.341 2.828 20 30 CFEDMN CN1CC[C@@H]1CNc1c(C#N)cnc2c(F)cc(F)cc21 ZINC000895771314 619603247 /nfs/dbraw/zinc/60/32/47/619603247.db2.gz KHCUVPCCUOEYLF-LLVKDONJSA-N 0 1 288.301 2.501 20 30 CFEDMN C#CCN1CCC(Nc2cc(-c3ccccc3)ncn2)CC1 ZINC000895810638 619610090 /nfs/dbraw/zinc/61/00/90/619610090.db2.gz HVRBSHZLBAKSPD-UHFFFAOYSA-N 0 1 292.386 2.653 20 30 CFEDMN C=CCC1(O)CCN(Cc2ccnn2-c2ccccc2)CC1 ZINC000895834677 619619597 /nfs/dbraw/zinc/61/95/97/619619597.db2.gz OJRSLUKPRDBZSI-UHFFFAOYSA-N 0 1 297.402 2.775 20 30 CFEDMN C=CCC1(O)CCN(Cc2c(OC)cccc2OC)CC1 ZINC000895833624 619619756 /nfs/dbraw/zinc/61/97/56/619619756.db2.gz AVMZAXJCJSPXTJ-UHFFFAOYSA-N 0 1 291.391 2.607 20 30 CFEDMN C[C@@H](CCC#N)CN1CCS[C@H](C(F)(F)F)C1 ZINC000896454893 619738300 /nfs/dbraw/zinc/73/83/00/619738300.db2.gz BBNACFULZKFQNW-UWVGGRQHSA-N 0 1 266.332 2.906 20 30 CFEDMN Cc1ccoc1CN1CCC[C@H](Nc2ccc(C#N)cn2)C1 ZINC000896653808 619783842 /nfs/dbraw/zinc/78/38/42/619783842.db2.gz HAEHYLZIBPUURP-HNNXBMFYSA-N 0 1 296.374 2.931 20 30 CFEDMN C[C@H](NC(=O)[C@@H]1CCN1C(C)(C)C)c1cccc(C#N)c1 ZINC000896764186 619810096 /nfs/dbraw/zinc/81/00/96/619810096.db2.gz GAUZSCZWDAFOGE-WFASDCNBSA-N 0 1 285.391 2.608 20 30 CFEDMN COC(=O)c1cc(CNCc2ccc(C)c(C#N)c2)c(C)o1 ZINC000896880405 619855776 /nfs/dbraw/zinc/85/57/76/619855776.db2.gz CEFBKNQJOGLEFV-UHFFFAOYSA-N 0 1 298.342 2.845 20 30 CFEDMN C=C(Cl)CN(C)C1CCN(C(=O)C2CCCC2)CC1 ZINC000985207750 619929258 /nfs/dbraw/zinc/92/92/58/619929258.db2.gz DWUOMGAHDOYNOI-UHFFFAOYSA-N 0 1 284.831 2.852 20 30 CFEDMN CC#CCN(C)Cc1ccc(OC)c(OC2CC2)c1 ZINC000897169793 619943637 /nfs/dbraw/zinc/94/36/37/619943637.db2.gz UBMLLDYYCRBRAS-UHFFFAOYSA-N 0 1 259.349 2.692 20 30 CFEDMN C=C(Cl)CN(C)C1CCN(C(=O)[C@H]2CC2(C)C)CC1 ZINC000985374727 619965221 /nfs/dbraw/zinc/96/52/21/619965221.db2.gz BJNVLBBDEHYXIN-CYBMUJFWSA-N 0 1 284.831 2.708 20 30 CFEDMN C=C(Cl)C[N@H+](C)C1CCN(C(=O)[C@@H]2CC2(C)C)CC1 ZINC000985383784 619966603 /nfs/dbraw/zinc/96/66/03/619966603.db2.gz BJNVLBBDEHYXIN-ZDUSSCGKSA-N 0 1 284.831 2.708 20 30 CFEDMN C=C(Cl)CN(C)C1CCN(C(=O)[C@@H]2CC2(C)C)CC1 ZINC000985383784 619966604 /nfs/dbraw/zinc/96/66/04/619966604.db2.gz BJNVLBBDEHYXIN-ZDUSSCGKSA-N 0 1 284.831 2.708 20 30 CFEDMN C=C(Cl)CN(C)C1CCN(C(=O)C(C)(C)C)CC1 ZINC000985762961 620031517 /nfs/dbraw/zinc/03/15/17/620031517.db2.gz RLPMTHWRUSUUIT-UHFFFAOYSA-N 0 1 272.820 2.708 20 30 CFEDMN C=C(Cl)CN[C@@H]1CCN(C(=O)c2ccccc2F)[C@H]1C ZINC000985898063 620049827 /nfs/dbraw/zinc/04/98/27/620049827.db2.gz KVEUPPGNXPEDCT-SMDDNHRTSA-N 0 1 296.773 2.771 20 30 CFEDMN C=C(Cl)CN[C@H]1CCN(C(=O)Cc2cccs2)[C@@H]1C ZINC000985899449 620050369 /nfs/dbraw/zinc/05/03/69/620050369.db2.gz PQTKGABEYVXIJN-YPMHNXCESA-N 0 1 298.839 2.622 20 30 CFEDMN C=C(Cl)CN[C@@H]1CCN(C(=O)c2cccc(C)c2)[C@@H]1C ZINC000985918571 620052447 /nfs/dbraw/zinc/05/24/47/620052447.db2.gz ZEJBWEFSZTWSBE-UKRRQHHQSA-N 0 1 292.810 2.940 20 30 CFEDMN C=C(Cl)CN[C@@H]1CCN(C(=O)CCc2ccco2)[C@@H]1C ZINC000985956691 620054538 /nfs/dbraw/zinc/05/45/38/620054538.db2.gz NNLIXHNELRIEMY-TZMCWYRMSA-N 0 1 296.798 2.544 20 30 CFEDMN C=C(Cl)CN[C@@H]1CCN(C(=O)c2occc2C)[C@H]1C ZINC000985979802 620055856 /nfs/dbraw/zinc/05/58/56/620055856.db2.gz GLHPSZHWHCDELH-NWDGAFQWSA-N 0 1 282.771 2.533 20 30 CFEDMN C=C(Cl)CN[C@@H]1CCN(C(=O)c2cc(C)c(C)o2)[C@H]1C ZINC000986153849 620073560 /nfs/dbraw/zinc/07/35/60/620073560.db2.gz QGPIZWPCLSXMCK-WCQYABFASA-N 0 1 296.798 2.842 20 30 CFEDMN C1CCC(ON=C2CCCN3CCSC[C@@H]23)C1 ZINC000872362562 620095467 /nfs/dbraw/zinc/09/54/67/620095467.db2.gz VTEXJZCQDSILGL-ZDUSSCGKSA-N 0 1 254.399 2.513 20 30 CFEDMN C=C(Cl)CN[C@H]1CCN(C(=O)c2ccoc2CC)[C@@H]1C ZINC000986234176 620077374 /nfs/dbraw/zinc/07/73/74/620077374.db2.gz LFBAHQMJSPTQCD-YPMHNXCESA-N 0 1 296.798 2.787 20 30 CFEDMN C=C[C@@H](CC)CC(=O)Nc1cc(C(=O)OC(C)C)[nH]n1 ZINC000888120220 620122936 /nfs/dbraw/zinc/12/29/36/620122936.db2.gz FXFFHRHOSWCCGL-JTQLQIEISA-N 0 1 279.340 2.516 20 30 CFEDMN C=C(Cl)CN[C@@H]1C[C@H](C)N(C(=O)c2ccccc2F)C1 ZINC000987855643 620156665 /nfs/dbraw/zinc/15/66/65/620156665.db2.gz KEALUSHMPFREQD-NWDGAFQWSA-N 0 1 296.773 2.771 20 30 CFEDMN C=C(Cl)CN[C@@H]1C[C@@H](C)N(C(=O)/C=C\c2ccco2)C1 ZINC000987846133 620157002 /nfs/dbraw/zinc/15/70/02/620157002.db2.gz VZERGZQIXPZREB-NTQVKLLNSA-N 0 1 294.782 2.624 20 30 CFEDMN C=C(Cl)CN[C@H]1C[C@@H](C)N(C(=O)c2ccsc2)C1 ZINC000987924964 620159057 /nfs/dbraw/zinc/15/90/57/620159057.db2.gz BVQQGRRYYRCTSU-PWSUYJOCSA-N 0 1 284.812 2.693 20 30 CFEDMN N=C(N)NN=Cc1c2ccccc2cc2ccccc21 ZINC000263595501 620160404 /nfs/dbraw/zinc/16/04/04/620160404.db2.gz DQGPLSQWZKWKPW-UHFFFAOYSA-N 0 1 262.316 2.810 20 30 CFEDMN C=C(Cl)CN[C@@H]1C[C@H](C)N(C(=O)c2occc2C)C1 ZINC000988088569 620160969 /nfs/dbraw/zinc/16/09/69/620160969.db2.gz MCSLHOOKUZRPIX-NWDGAFQWSA-N 0 1 282.771 2.533 20 30 CFEDMN C=C(Cl)CN[C@H]1C[C@@H](C)N(C(=O)c2occc2C)C1 ZINC000988088561 620161228 /nfs/dbraw/zinc/16/12/28/620161228.db2.gz MCSLHOOKUZRPIX-NEPJUHHUSA-N 0 1 282.771 2.533 20 30 CFEDMN C=CCCn1cc(CNCC[C@H]2CCC(C)(C)CO2)nn1 ZINC000897474733 620181396 /nfs/dbraw/zinc/18/13/96/620181396.db2.gz ZQNOMOYEAVZOSW-OAHLLOKOSA-N 0 1 292.427 2.539 20 30 CFEDMN N#Cc1cnc(Cl)c(CNC[C@H]2CC[C@H](C3CC3)O2)c1 ZINC000897505650 620195702 /nfs/dbraw/zinc/19/57/02/620195702.db2.gz NIBQTNFLZBSLMC-ZIAGYGMSSA-N 0 1 291.782 2.654 20 30 CFEDMN C=C(Cl)CN[C@H]1C[C@@H](C)N(C(=O)C(F)=C(C)C)C1 ZINC000988591576 620203594 /nfs/dbraw/zinc/20/35/94/620203594.db2.gz RHKMFTDZGRJEAE-MNOVXSKESA-N 0 1 274.767 2.581 20 30 CFEDMN C=C(Cl)CN[C@@H]1C[C@H](C)N(C(=O)c2cc[nH]c2CC)C1 ZINC000988755400 620220692 /nfs/dbraw/zinc/22/06/92/620220692.db2.gz FFQOPJSZPNBRAM-NWDGAFQWSA-N 0 1 295.814 2.522 20 30 CFEDMN C=C(Cl)CN[C@H]1C[C@H](C)N(C(=O)c2cc(C)co2)C1 ZINC000989302961 620243810 /nfs/dbraw/zinc/24/38/10/620243810.db2.gz PEIAEQVTBSFYKI-RYUDHWBXSA-N 0 1 282.771 2.533 20 30 CFEDMN CC[C@](C)(CN1CCO[C@H](c2ccc(C#N)cc2)C1)OC ZINC000897595634 620254430 /nfs/dbraw/zinc/25/44/30/620254430.db2.gz DRHNRUAWGPXUEP-DLBZAZTESA-N 0 1 288.391 2.747 20 30 CFEDMN C=C(C)C[N@H+]1CCCN(C(=O)c2csc(Cl)n2)CC1 ZINC000989415155 620260055 /nfs/dbraw/zinc/26/00/55/620260055.db2.gz AGZNVFVYFDZXGA-UHFFFAOYSA-N 0 1 299.827 2.521 20 30 CFEDMN C=C(C)CN1CCCN(C(=O)c2csc(Cl)n2)CC1 ZINC000989415155 620260057 /nfs/dbraw/zinc/26/00/57/620260057.db2.gz AGZNVFVYFDZXGA-UHFFFAOYSA-N 0 1 299.827 2.521 20 30 CFEDMN C=C(C)CN1CCCN(C(=O)C2(F)CCCCC2)CC1 ZINC000989412575 620260066 /nfs/dbraw/zinc/26/00/66/620260066.db2.gz QXXFSXZQPVIHAC-UHFFFAOYSA-N 0 1 282.403 2.769 20 30 CFEDMN C#CCOc1cccc(Cl)c1CNCC[C@H](O)C1CC1 ZINC000898203843 620344581 /nfs/dbraw/zinc/34/45/81/620344581.db2.gz KAKQAIVMXPRUHN-HNNXBMFYSA-N 0 1 293.794 2.603 20 30 CFEDMN C=CCN1CCCN(C(=O)[C@@H](C)c2ccc(C)s2)CC1 ZINC000989478008 620375336 /nfs/dbraw/zinc/37/53/36/620375336.db2.gz RWZMRHMAZIINBS-AWEZNQCLSA-N 0 1 292.448 2.880 20 30 CFEDMN C#CCC[N@@H+]1CCCN(C(=O)[C@@]2(C)CC=C(C)CC2)CC1 ZINC000989718307 620388036 /nfs/dbraw/zinc/38/80/36/620388036.db2.gz SVOGOVOSYDEQIC-SFHVURJKSA-N 0 1 288.435 2.681 20 30 CFEDMN C#CCCN1CCCN(C(=O)[C@@]2(C)CC=C(C)CC2)CC1 ZINC000989718307 620388037 /nfs/dbraw/zinc/38/80/37/620388037.db2.gz SVOGOVOSYDEQIC-SFHVURJKSA-N 0 1 288.435 2.681 20 30 CFEDMN C=CCN1CCCN(C(=O)[C@]2(C)CCc3ccccc32)CC1 ZINC000989765726 620390189 /nfs/dbraw/zinc/39/01/89/620390189.db2.gz KQWLGXYTBBUPSM-LJQANCHMSA-N 0 1 298.430 2.611 20 30 CFEDMN C=CC[N@@H+]1CCCN(C(=O)C[C@@H]2CCCC[C@H]2C)CC1 ZINC000989775602 620391786 /nfs/dbraw/zinc/39/17/86/620391786.db2.gz ZTDFCODXMZVALX-CVEARBPZSA-N 0 1 278.440 2.923 20 30 CFEDMN C=CCN1CCCN(C(=O)C[C@@H]2CCCC[C@H]2C)CC1 ZINC000989775602 620391788 /nfs/dbraw/zinc/39/17/88/620391788.db2.gz ZTDFCODXMZVALX-CVEARBPZSA-N 0 1 278.440 2.923 20 30 CFEDMN C=CCc1cc(CNC/C=C\Cl)cc(OC)c1O ZINC000898437185 620464810 /nfs/dbraw/zinc/46/48/10/620464810.db2.gz YMIKWXULIKLUHA-XQRVVYSFSA-N 0 1 267.756 2.971 20 30 CFEDMN C=C[C@@H](CC(=O)N1CC(N2CCCC2)C1)c1ccccc1 ZINC000898608270 620483077 /nfs/dbraw/zinc/48/30/77/620483077.db2.gz NLTKRPSHVBOZSM-HNNXBMFYSA-N 0 1 284.403 2.653 20 30 CFEDMN C=CC[C@@H]1CCCN(C(=O)[C@@H]2CCN2C(C)(C)C)C1 ZINC000898669551 620487304 /nfs/dbraw/zinc/48/73/04/620487304.db2.gz QQCZYLZYNIOMOK-KGLIPLIRSA-N 0 1 264.413 2.674 20 30 CFEDMN COc1ccc(C(=O)/C=C\c2c3c(nn2C)CCC3)c(O)c1 ZINC000899362334 620553222 /nfs/dbraw/zinc/55/32/22/620553222.db2.gz QIVADAKAOFOBDN-HJWRWDBZSA-N 0 1 298.342 2.519 20 30 CFEDMN C=CC[N@@H+](CC(=O)[O-])C[C@H](C)CCc1ccccc1 ZINC000901586229 620862659 /nfs/dbraw/zinc/86/26/59/620862659.db2.gz LWFZVWIBUDLCFU-CQSZACIVSA-N 0 1 261.365 2.828 20 30 CFEDMN C=CC[N@H+](CCc1ccc(F)cc1Cl)CC(=O)[O-] ZINC000901587529 620863240 /nfs/dbraw/zinc/86/32/40/620863240.db2.gz ZLARJEGUAFHXBW-UHFFFAOYSA-N 0 1 271.719 2.594 20 30 CFEDMN C=CC[N@@H+](CC(=O)[O-])Cc1ccc2c(c1)CCC(C)(C)O2 ZINC000901585776 620869959 /nfs/dbraw/zinc/86/99/59/620869959.db2.gz DMMNHFUQINFOHL-UHFFFAOYSA-N 0 1 289.375 2.863 20 30 CFEDMN C=CC[N@H+](CC(=O)[O-])Cc1ccc(CCC)s1 ZINC000901585287 620870085 /nfs/dbraw/zinc/87/00/85/620870085.db2.gz CJSVAGKOTYYGCO-UHFFFAOYSA-N 0 1 253.367 2.773 20 30 CFEDMN C=CC[N@@H+](CC(=O)[O-])Cc1ccc(CCC)s1 ZINC000901585287 620870087 /nfs/dbraw/zinc/87/00/87/620870087.db2.gz CJSVAGKOTYYGCO-UHFFFAOYSA-N 0 1 253.367 2.773 20 30 CFEDMN C#CCOc1cccc(Cl)c1C[N@@H+](CC)CCC(=O)[O-] ZINC000901601521 620871731 /nfs/dbraw/zinc/87/17/31/620871731.db2.gz IKWTVOMAAAMQED-UHFFFAOYSA-N 0 1 295.766 2.649 20 30 CFEDMN C=CCOc1cccc(C[N@H+](CCC(=O)[O-])C2CC2)c1 ZINC000901970761 620947649 /nfs/dbraw/zinc/94/76/49/620947649.db2.gz CQCOXDYSBWKQCC-UHFFFAOYSA-N 0 1 275.348 2.691 20 30 CFEDMN C=CCCN(C)CN1C[C@@H](c2ccc(F)cc2)CC1=O ZINC000902236162 621003737 /nfs/dbraw/zinc/00/37/37/621003737.db2.gz UYJUYSXUGDAHRI-AWEZNQCLSA-N 0 1 276.355 2.607 20 30 CFEDMN C=CC[C@H]1CCC[N@H+](Cc2ccc(OCC(=O)[O-])cc2)C1 ZINC000902282049 621013804 /nfs/dbraw/zinc/01/38/04/621013804.db2.gz NPEQSHRDBBBZNP-AWEZNQCLSA-N 0 1 289.375 2.938 20 30 CFEDMN C=CCCCN(CC)CN1C(=O)CC12CCCC2 ZINC000902670177 621148800 /nfs/dbraw/zinc/14/88/00/621148800.db2.gz YXNUTBXEACPSEY-UHFFFAOYSA-N 0 1 250.386 2.777 20 30 CFEDMN CO[C@H](CN[C@@H](C)c1cc(C#N)ccn1)c1ccccc1 ZINC000902758106 621166082 /nfs/dbraw/zinc/16/60/82/621166082.db2.gz CNMUWVDSDDXLRD-SUMWQHHRSA-N 0 1 281.359 2.992 20 30 CFEDMN CC[C@H](C)c1nc([C@H](C)N[C@H](C)c2cc(C#N)ccn2)n[nH]1 ZINC000902969323 621211734 /nfs/dbraw/zinc/21/17/34/621211734.db2.gz DDRBHVOTGWFJLQ-TUAOUCFPSA-N 0 1 298.394 2.997 20 30 CFEDMN CCO[C@@H]1C[C@@H](N[C@H](C)c2cc(C#N)ccn2)[C@@H]1SC ZINC000903037784 621231140 /nfs/dbraw/zinc/23/11/40/621231140.db2.gz QIGSYVHULXAXIV-QZKOUSHUSA-N 0 1 291.420 2.513 20 30 CFEDMN C[C@H](c1cccc(C#N)c1)[N@H+]1CC[C@@H](Nc2ncccn2)C1 ZINC000903023626 621233851 /nfs/dbraw/zinc/23/38/51/621233851.db2.gz OYOIDJYAWJNFLZ-CZUORRHYSA-N 0 1 293.374 2.596 20 30 CFEDMN C=CCC[C@@H](NCc1nonc1C)[C@]1(C)CCCCO1 ZINC000903086250 621247293 /nfs/dbraw/zinc/24/72/93/621247293.db2.gz FAZIQAWOEHMQBC-CABCVRRESA-N 0 1 279.384 2.762 20 30 CFEDMN N#CC1(CN[C@@H](Cc2ccccc2[N+](=O)[O-])C2CC2)CC1 ZINC000903105267 621254971 /nfs/dbraw/zinc/25/49/71/621254971.db2.gz BKIUDLXNYLLYNE-AWEZNQCLSA-N 0 1 285.347 2.809 20 30 CFEDMN C[C@H](NCC1(C#N)CCCC1)c1cccc(CO)c1 ZINC000903109350 621256565 /nfs/dbraw/zinc/25/65/65/621256565.db2.gz OEWFNTBTMRCKIJ-ZDUSSCGKSA-N 0 1 258.365 2.913 20 30 CFEDMN N#CC1(CN[C@H](c2cccs2)c2nnc[nH]2)CCCC1 ZINC000903109604 621256646 /nfs/dbraw/zinc/25/66/46/621256646.db2.gz SHXTWAZSLNISQA-GFCCVEGCSA-N 0 1 287.392 2.629 20 30 CFEDMN C=CCC[C@@H](NCc1nc(C#N)cs1)[C@H]1CCCO1 ZINC000903265119 621305108 /nfs/dbraw/zinc/30/51/08/621305108.db2.gz XWZRFYFAOWLDCU-CHWSQXEVSA-N 0 1 277.393 2.618 20 30 CFEDMN C[C@H]1CC[C@H](C(=O)[O-])C[N@H+]1Cc1cc(Cl)cc(C#N)c1 ZINC000903409118 621363828 /nfs/dbraw/zinc/36/38/28/621363828.db2.gz WCOSBYYVMGHMLO-GWCFXTLKSA-N 0 1 292.766 2.897 20 30 CFEDMN Cc1cc(C#N)cc(C)c1C[N@@H+]1CC[C@@H](C)[C@H](C(=O)[O-])C1 ZINC000903409540 621364622 /nfs/dbraw/zinc/36/46/22/621364622.db2.gz ZGBQATBLXYJJOK-BDJLRTHQSA-N 0 1 286.375 2.718 20 30 CFEDMN C=CCCCC[N@@H+]1CC[C@@H](c2ncc(C(=O)[O-])s2)C1 ZINC000903928215 621475640 /nfs/dbraw/zinc/47/56/40/621475640.db2.gz PZRSAHULYKWRJN-LLVKDONJSA-N 0 1 280.393 2.987 20 30 CFEDMN C=CCCCC[N@@H+]1CC[C@H](c2ncc(C(=O)[O-])s2)C1 ZINC000903928216 621475794 /nfs/dbraw/zinc/47/57/94/621475794.db2.gz PZRSAHULYKWRJN-NSHDSACASA-N 0 1 280.393 2.987 20 30 CFEDMN C=CC[C@@H](C)[N@H+]1CC[C@@H](c2ncc(C(=O)[O-])s2)C1 ZINC000903929057 621475835 /nfs/dbraw/zinc/47/58/35/621475835.db2.gz VJYLNMDLOMKIEP-NXEZZACHSA-N 0 1 266.366 2.595 20 30 CFEDMN CC#CC[C@H]([NH2+]Cc1cc2cccc(CC)c2o1)C(=O)[O-] ZINC000904057615 621513123 /nfs/dbraw/zinc/51/31/23/621513123.db2.gz WQBSXUNOCHGEBE-HNNXBMFYSA-N 0 1 285.343 2.951 20 30 CFEDMN O=C(c1cc(C2CC2)n[nH]1)N(O)Cc1ccccc1Cl ZINC000904187863 621537069 /nfs/dbraw/zinc/53/70/69/621537069.db2.gz VDWRHJZCANUBCN-UHFFFAOYSA-N 0 1 291.738 2.972 20 30 CFEDMN C=CCC(C)(C)c1noc(-c2nc(CN)sc2C)n1 ZINC000904723598 621625578 /nfs/dbraw/zinc/62/55/78/621625578.db2.gz DHUZCGWKFSYYCA-UHFFFAOYSA-N 0 1 278.381 2.814 20 30 CFEDMN CC1/C(=C/c2ncc(C(C)(C)C)s2)C(=O)c2ncnn21 ZINC000905087805 621693210 /nfs/dbraw/zinc/69/32/10/621693210.db2.gz ZPDITURUUBXORZ-CPJBWDMUSA-N 0 1 288.376 2.873 20 30 CFEDMN COc1ccc(N=NC2C[C@H]3CCC[N@H+](C2)C3)cc1 ZINC000905457037 621777244 /nfs/dbraw/zinc/77/72/44/621777244.db2.gz RLCRFEDPGBABIT-GFCCVEGCSA-N 0 1 259.353 2.579 20 30 CFEDMN CCOCc1nc(C)cc(NN=Cc2ccsc2)n1 ZINC000905506248 621783283 /nfs/dbraw/zinc/78/32/83/621783283.db2.gz JRSYIAHQDRAPON-UHFFFAOYSA-N 0 1 276.365 2.829 20 30 CFEDMN N#CC1CCC(Cn2cc([C@H](N)c3ccccc3)nn2)CC1 ZINC000905815870 621875191 /nfs/dbraw/zinc/87/51/91/621875191.db2.gz LTEXFHFGAUUEMD-MQBCKMQZSA-N 0 1 295.390 2.656 20 30 CFEDMN N#Cc1cc(O)ccc1-c1cnc([C@H]2CCCCN2)nc1 ZINC000906177558 621945251 /nfs/dbraw/zinc/94/52/51/621945251.db2.gz FTJDMWIVABFCFB-OAHLLOKOSA-N 0 1 280.331 2.535 20 30 CFEDMN C[C@@H]1CN([C@@H]2C[C@@H]2c2cccc(F)c2)C[C@H](C)N1CC#N ZINC000906590317 622009053 /nfs/dbraw/zinc/00/90/53/622009053.db2.gz OZJRAPLYEJVGFD-DLTLXFJOSA-N 0 1 287.382 2.600 20 30 CFEDMN C=C(C)[C@@H]1OCC[C@@H]1C(=O)Nc1ccc2c(C)[nH]nc2c1 ZINC000907199896 622095184 /nfs/dbraw/zinc/09/51/84/622095184.db2.gz ZJXPUMXQLMYFAF-ZFWWWQNUSA-N 0 1 285.347 2.791 20 30 CFEDMN C=C(C)CN(Cc1ccccc1)C(=O)Cc1c[nH]cn1 ZINC000907870589 622171056 /nfs/dbraw/zinc/17/10/56/622171056.db2.gz DJIUQGYWTCRMSF-UHFFFAOYSA-N 0 1 269.348 2.557 20 30 CFEDMN C=CCCC(=O)[C@H]1CCCN1C(=O)c1[nH]nc2ccccc21 ZINC000908639129 622252207 /nfs/dbraw/zinc/25/22/07/622252207.db2.gz OWMHVDHMBSOKJM-CQSZACIVSA-N 0 1 297.358 2.703 20 30 CFEDMN C=CCCC(=O)[C@H]1CCCN1C(=O)c1cccc2c[nH]nc21 ZINC000908641156 622259140 /nfs/dbraw/zinc/25/91/40/622259140.db2.gz AVXDPGYGSXREFO-CQSZACIVSA-N 0 1 297.358 2.703 20 30 CFEDMN C=CCC1(NC(=O)CN(C)C2CCC2)CCCCC1 ZINC000909222040 622328556 /nfs/dbraw/zinc/32/85/56/622328556.db2.gz BVJBRBQEDQSRKS-UHFFFAOYSA-N 0 1 264.413 2.866 20 30 CFEDMN CC(C)[C@H](C(=O)OCCCCC1(C#N)CCC1)N(C)C ZINC000909254996 622333034 /nfs/dbraw/zinc/33/30/34/622333034.db2.gz FMLBWNDVDZWWBH-CQSZACIVSA-N 0 1 280.412 2.980 20 30 CFEDMN CCc1nc([C@@H](C)OC(=O)c2c(C)cc(C#N)cc2C)n[nH]1 ZINC000909801602 622353644 /nfs/dbraw/zinc/35/36/44/622353644.db2.gz IXYYGCLJMWKWAI-LLVKDONJSA-N 0 1 298.346 2.774 20 30 CFEDMN CCCCCNC(=O)C(C#N)C(=O)[C@H]1CCCC[C@H]1C ZINC000819942307 622578216 /nfs/dbraw/zinc/57/82/16/622578216.db2.gz ZAMIVWSIRYBXJJ-HZSPNIEDSA-N 0 1 278.396 2.828 20 30 CFEDMN C=CCCC1(CNC(=O)Cc2cnc[nH]2)CCCC1 ZINC000912298611 622678661 /nfs/dbraw/zinc/67/86/61/622678661.db2.gz CZIHVCQOLLBCGZ-UHFFFAOYSA-N 0 1 261.369 2.595 20 30 CFEDMN C=CCCC(C)(C)NC(=O)c1cccc2nc(CO)[nH]c21 ZINC000912727339 622769939 /nfs/dbraw/zinc/76/99/39/622769939.db2.gz AGYIIVIDHRLRIW-UHFFFAOYSA-N 0 1 287.363 2.530 20 30 CFEDMN c1ccc2c(c1)SCCC2=NNc1cnccn1 ZINC000912961806 622805655 /nfs/dbraw/zinc/80/56/55/622805655.db2.gz OQPBBQQJBXSDAY-UHFFFAOYSA-N 0 1 256.334 2.789 20 30 CFEDMN CCCC[C@H](ON=C(C)C)C(=O)O[C@@H](C)c1n[nH]c(C)n1 ZINC000840454095 622883193 /nfs/dbraw/zinc/88/31/93/622883193.db2.gz DFPCXULWIFERNA-JQWIXIFHSA-N 0 1 296.371 2.689 20 30 CFEDMN N#C[C@H]1CCC[C@H](OC(=O)c2cc3[nH]cnc3cc2F)C1 ZINC000821375988 622908672 /nfs/dbraw/zinc/90/86/72/622908672.db2.gz KPRMKPYDZMWBEM-UWVGGRQHSA-N 0 1 287.294 2.941 20 30 CFEDMN N#CCCCC(=O)N1CCc2nc[nH]c2[C@@H]1c1ccccc1 ZINC000913510345 622909418 /nfs/dbraw/zinc/90/94/18/622909418.db2.gz IRRJHXWYBYOISL-KRWDZBQOSA-N 0 1 294.358 2.578 20 30 CFEDMN C=CCCC[C@@H](C(=O)NCC#CCN(C)C)c1ccccc1 ZINC000913525210 622910036 /nfs/dbraw/zinc/91/00/36/622910036.db2.gz NSRUBSDXBFZIFM-GOSISDBHSA-N 0 1 298.430 2.808 20 30 CFEDMN CCCCCCNC(=O)C(C#N)C(=O)[C@H](CC)SC ZINC000156440873 622941315 /nfs/dbraw/zinc/94/13/15/622941315.db2.gz WVCKGIILQFFNBG-NEPJUHHUSA-N 0 1 284.425 2.533 20 30 CFEDMN COC(=O)c1occc1/C=C/C(=O)c1cc(F)ccc1O ZINC000156672029 622953213 /nfs/dbraw/zinc/95/32/13/622953213.db2.gz JMJYSLCKNUIQBR-DUXPYHPUSA-N 0 1 290.246 2.807 20 30 CFEDMN C=C[C@H](CC)CC(=O)N(C)[C@@H](c1nnc[nH]1)c1ccccc1 ZINC000822190700 623057329 /nfs/dbraw/zinc/05/73/29/623057329.db2.gz KHIHVXSQOKWMIZ-CZUORRHYSA-N 0 1 298.390 2.955 20 30 CFEDMN C=C[C@@H](CC)CC(=O)NCc1ccc2cncn2c1 ZINC000822385414 623092462 /nfs/dbraw/zinc/09/24/62/623092462.db2.gz IGYHSNYGGQCXQK-LBPRGKRZSA-N 0 1 257.337 2.553 20 30 CFEDMN C=C[C@H](CC)CC(=O)NCc1ccc2cncn2c1 ZINC000822385413 623092633 /nfs/dbraw/zinc/09/26/33/623092633.db2.gz IGYHSNYGGQCXQK-GFCCVEGCSA-N 0 1 257.337 2.553 20 30 CFEDMN C#CCCOc1ccc(CN[C@H](C)c2cn(C)nc2C)cc1 ZINC000172119002 623262502 /nfs/dbraw/zinc/26/25/02/623262502.db2.gz WIMUCLPJOCDBMX-CQSZACIVSA-N 0 1 297.402 2.981 20 30 CFEDMN CCCCCCCCN(CC)[C@H]1CCS(=O)(=O)C1 ZINC000172649058 623295852 /nfs/dbraw/zinc/29/58/52/623295852.db2.gz MOBZVXUOLNYADE-AWEZNQCLSA-N 0 1 275.458 2.856 20 30 CFEDMN CCCCCCCC[C@H](C)C(=O)NCc1nnc[nH]1 ZINC000823513644 623338127 /nfs/dbraw/zinc/33/81/27/623338127.db2.gz JTWICGYSCQFXMG-LBPRGKRZSA-N 0 1 266.389 2.808 20 30 CFEDMN CCCCCC[C@H](C)C(=O)C(C#N)C(=O)NC(C)C ZINC000173982991 623378833 /nfs/dbraw/zinc/37/88/33/623378833.db2.gz IZVNBHHJMZVYFS-QWHCGFSZSA-N 0 1 266.385 2.826 20 30 CFEDMN C#CCC1(C(=O)N(C)Cc2cn[nH]c2C)CCCCC1 ZINC000824057508 623442304 /nfs/dbraw/zinc/44/23/04/623442304.db2.gz SRPIBKJBTNAPAZ-UHFFFAOYSA-N 0 1 273.380 2.650 20 30 CFEDMN C=CCN1CC[C@@]2(NC(=O)c3occc3Cl)CCC[C@H]12 ZINC000992170013 623476860 /nfs/dbraw/zinc/47/68/60/623476860.db2.gz JKHXVCDVSUBNMM-WFASDCNBSA-N 0 1 294.782 2.846 20 30 CFEDMN C=CCN1CC[C@]2(NC(=O)c3occc3Cl)CCC[C@H]12 ZINC000992170011 623477393 /nfs/dbraw/zinc/47/73/93/623477393.db2.gz JKHXVCDVSUBNMM-SWLSCSKDSA-N 0 1 294.782 2.846 20 30 CFEDMN C#C[C@@H](C)N(C)Cc1c[nH]c(C(=O)OCc2ccccc2)c1 ZINC000824296144 623484516 /nfs/dbraw/zinc/48/45/16/623484516.db2.gz AXOMAZHSEQIBOX-CQSZACIVSA-N 0 1 296.370 2.825 20 30 CFEDMN C[C@@H]1CC[C@@H](CC(=O)C(C#N)C(=O)NCc2ccccc2)C1 ZINC000151587828 623534053 /nfs/dbraw/zinc/53/40/53/623534053.db2.gz TUKXIYCCFMNBAL-FVQBIDKESA-N 0 1 298.386 2.838 20 30 CFEDMN C[C@@H]1CC[C@H](CC(=O)C(C#N)C(=O)NCc2ccccc2)C1 ZINC000151587724 623534138 /nfs/dbraw/zinc/53/41/38/623534138.db2.gz TUKXIYCCFMNBAL-VNQPRFMTSA-N 0 1 298.386 2.838 20 30 CFEDMN COCc1csc(CN2CCC(C#N)CC2)c1 ZINC000824646063 623539201 /nfs/dbraw/zinc/53/92/01/623539201.db2.gz WRHBSEURSXBKLC-UHFFFAOYSA-N 0 1 250.367 2.630 20 30 CFEDMN C=CCCONC(=O)C1=C(c2ccccc2)SCCO1 ZINC000824659494 623540454 /nfs/dbraw/zinc/54/04/54/623540454.db2.gz IDPNVGGWLJQMCD-UHFFFAOYSA-N 0 1 291.372 2.743 20 30 CFEDMN C#CCN1CC[C@@]2(NC(=O)c3ccc(C)c(C)c3)CCC[C@H]12 ZINC000992468498 623586896 /nfs/dbraw/zinc/58/68/96/623586896.db2.gz PPQILFXLTGWVFR-HKUYNNGSSA-N 0 1 296.414 2.663 20 30 CFEDMN C#Cc1cccc(CNCc2cnn(C(C)(C)C)c2)c1 ZINC000825226909 623654389 /nfs/dbraw/zinc/65/43/89/623654389.db2.gz OGXCTXPVIGTHRT-UHFFFAOYSA-N 0 1 267.376 2.909 20 30 CFEDMN C#CCOc1cccc(Cl)c1CNC[C@@H](O)C1CCC1 ZINC000825241019 623656261 /nfs/dbraw/zinc/65/62/61/623656261.db2.gz UCEHICPADIKKHB-OAHLLOKOSA-N 0 1 293.794 2.603 20 30 CFEDMN CC(C)NC(=O)[C@@H](C#N)C(=O)C[C@H]1CCCCC1(C)C ZINC000152371946 623689250 /nfs/dbraw/zinc/68/92/50/623689250.db2.gz PRUAVISMKHBFOM-OLZOCXBDSA-N 0 1 278.396 2.826 20 30 CFEDMN C=CCN1CC[C@@H](NC(=O)c2cnc3ccccc3c2C)C1 ZINC001015313669 623744238 /nfs/dbraw/zinc/74/42/38/623744238.db2.gz NOVWBUPICTWSMW-CQSZACIVSA-N 0 1 295.386 2.533 20 30 CFEDMN Cc1cc(O)c(CNCC2(C#N)CC2)cc1Cl ZINC000825753649 623750989 /nfs/dbraw/zinc/75/09/89/623750989.db2.gz SXNKWVHNRVNHJQ-UHFFFAOYSA-N 0 1 250.729 2.747 20 30 CFEDMN C#CCCN1CCC[C@@H](NC(=O)c2ccc(C)s2)[C@H]1C ZINC000992967784 623821744 /nfs/dbraw/zinc/82/17/44/623821744.db2.gz OITAUBHDSGDLFI-ZIAGYGMSSA-N 0 1 290.432 2.663 20 30 CFEDMN C=CCN1CCC[C@H](NC(=O)c2ccc(Cl)o2)[C@@H]1C ZINC000993040395 623861978 /nfs/dbraw/zinc/86/19/78/623861978.db2.gz RGRAXLYNQQEXNE-QWRGUYRKSA-N 0 1 282.771 2.702 20 30 CFEDMN C=C(C)CN1CCC[C@@H](NC(=O)c2scnc2C)[C@H]1C ZINC000993075607 623891903 /nfs/dbraw/zinc/89/19/03/623891903.db2.gz YORWNZRYRJBIPZ-CHWSQXEVSA-N 0 1 293.436 2.610 20 30 CFEDMN C#CCOc1ccc(CN2CCO[C@](C)(C3CC3)C2)cc1 ZINC000826877879 623901551 /nfs/dbraw/zinc/90/15/51/623901551.db2.gz MWQHCJBFWWBJHW-SFHVURJKSA-N 0 1 285.387 2.700 20 30 CFEDMN C#Cc1ccc(CN2CCO[C@@](C)(C3CC3)C2)cc1 ZINC000826877578 623901582 /nfs/dbraw/zinc/90/15/82/623901582.db2.gz JOFJMUOWNRIRRA-QGZVFWFLSA-N 0 1 255.361 2.669 20 30 CFEDMN Cc1nc(CN=Nc2cncc(Cl)n2)c2ccccn12 ZINC000914600350 623906528 /nfs/dbraw/zinc/90/65/28/623906528.db2.gz VLVDQWBFCWDRCN-UHFFFAOYSA-N 0 1 286.726 2.532 20 30 CFEDMN CC#CCN1CCC[C@H](NC(=O)CC2=CCCCC2)[C@@H]1C ZINC000993164154 623971303 /nfs/dbraw/zinc/97/13/03/623971303.db2.gz YYKVLXDYSGZSOY-RDJZCZTQSA-N 0 1 288.435 2.869 20 30 CFEDMN C=CCCCCN1Cc2c(OC)ccc(OC)c2[C@@H](O)C1 ZINC000827411106 623999296 /nfs/dbraw/zinc/99/92/96/623999296.db2.gz IWAGGXDRUNJZRJ-AWEZNQCLSA-N 0 1 291.391 2.909 20 30 CFEDMN CCC[C@H](C(=O)C(C#N)C(=O)Nc1ccccn1)C(C)C ZINC000153531702 624006781 /nfs/dbraw/zinc/00/67/81/624006781.db2.gz RDJNNAFAILBZMB-QWHCGFSZSA-N 0 1 287.363 2.801 20 30 CFEDMN CCC[C@@H](C(=O)C(C#N)C(=O)Nc1ccccn1)C(C)C ZINC000153531745 624006833 /nfs/dbraw/zinc/00/68/33/624006833.db2.gz RDJNNAFAILBZMB-CHWSQXEVSA-N 0 1 287.363 2.801 20 30 CFEDMN C#C[C@H](NCc1c(F)cc(C)cc1F)C1CCOCC1 ZINC000827554267 624030212 /nfs/dbraw/zinc/03/02/12/624030212.db2.gz CARCQCJZXISFFL-INIZCTEOSA-N 0 1 279.330 2.791 20 30 CFEDMN C=CCN1CCC[C@@H](NC(=O)c2ccoc2CC)[C@@H]1C ZINC000993264012 624059342 /nfs/dbraw/zinc/05/93/42/624059342.db2.gz LQFWCZYKTHQHIT-GXTWGEPZSA-N 0 1 276.380 2.611 20 30 CFEDMN CC#CCN1CCC[C@@H](NC(=O)c2ccsc2C)[C@H]1C ZINC000993308229 624074443 /nfs/dbraw/zinc/07/44/43/624074443.db2.gz ALAYEJOPNLXUDE-IUODEOHRSA-N 0 1 290.432 2.663 20 30 CFEDMN C[C@@]1(C(=O)Nc2cc(C#N)ccc2O)CC=CCC1 ZINC000827829262 624104970 /nfs/dbraw/zinc/10/49/70/624104970.db2.gz KQCRBRHJYCADGP-OAHLLOKOSA-N 0 1 256.305 2.949 20 30 CFEDMN C=CCN1CCC[C@H](NC(=O)c2conc2C(C)C)[C@@H]1C ZINC000993419848 624139322 /nfs/dbraw/zinc/13/93/22/624139322.db2.gz WWFBXEMFDUWWFM-JSGCOSHPSA-N 0 1 291.395 2.567 20 30 CFEDMN C=CCN1CCC[C@@H](NC(=O)c2ccc(F)c(F)c2)[C@H]1C ZINC000993445137 624145315 /nfs/dbraw/zinc/14/53/15/624145315.db2.gz JZMBKRFQNDWSFU-IAQYHMDHSA-N 0 1 294.345 2.734 20 30 CFEDMN C=C(C)CN1CCC[C@@H](NC(=O)C2(F)CCCC2)[C@@H]1C ZINC000993501475 624147690 /nfs/dbraw/zinc/14/76/90/624147690.db2.gz LCUWGJWMTLENBP-UONOGXRCSA-N 0 1 282.403 2.814 20 30 CFEDMN C=CCN1CCC[C@H](NC(=O)c2ccc(CC)o2)[C@@H]1C ZINC000993480993 624147811 /nfs/dbraw/zinc/14/78/11/624147811.db2.gz DOVBDEIFSAXXOR-JSGCOSHPSA-N 0 1 276.380 2.611 20 30 CFEDMN C#CCN1CCC[C@H](NC(=O)C2CCCCCCC2)[C@H]1C ZINC000993569152 624152174 /nfs/dbraw/zinc/15/21/74/624152174.db2.gz GBGADUSKGZWONF-WBVHZDCISA-N 0 1 290.451 2.949 20 30 CFEDMN C#CCN1CCC[C@@H](NC(=O)C2CCC3(CC3)CC2)[C@@H]1C ZINC000993629130 624156008 /nfs/dbraw/zinc/15/60/08/624156008.db2.gz YWOCMWDMUNFNDM-GOEBONIOSA-N 0 1 288.435 2.559 20 30 CFEDMN C=CCN1CCC[C@@H](NC(=O)c2cc[nH]c2C(C)C)[C@@H]1C ZINC000993707940 624159495 /nfs/dbraw/zinc/15/94/95/624159495.db2.gz UPDIFINHPXNPNO-DZGCQCFKSA-N 0 1 289.423 2.907 20 30 CFEDMN CC#CCN1CCC[C@@H](NC(=O)C2CC3(CCC3)C2)[C@@H]1C ZINC000993699368 624162408 /nfs/dbraw/zinc/16/24/08/624162408.db2.gz CNAZMPXTYKQYNR-GOEBONIOSA-N 0 1 288.435 2.559 20 30 CFEDMN C=CCN1CCC[C@H](NC(=O)c2ccc3[nH]ccc3c2)[C@H]1C ZINC000993738445 624163247 /nfs/dbraw/zinc/16/32/47/624163247.db2.gz BLVOGGBYIBMFAO-CJNGLKHVSA-N 0 1 297.402 2.937 20 30 CFEDMN C=CCN1CCC[C@H](NC(=O)c2occc2Cl)[C@@H]1C ZINC000993769591 624167167 /nfs/dbraw/zinc/16/71/67/624167167.db2.gz DGSBODBIDGSZIM-JQWIXIFHSA-N 0 1 282.771 2.702 20 30 CFEDMN C=Cc1ccc(C(=O)N[C@@H]2CCCN(CC#CC)[C@@H]2C)cc1 ZINC000993817511 624169740 /nfs/dbraw/zinc/16/97/40/624169740.db2.gz BVITZCSLJKWQEN-CRAIPNDOSA-N 0 1 296.414 2.936 20 30 CFEDMN C#CCN1CCC[C@@H](NC(=O)CC2CCCCCC2)[C@H]1C ZINC000993885416 624172380 /nfs/dbraw/zinc/17/23/80/624172380.db2.gz IADKMHMBQFSZIW-NVXWUHKLSA-N 0 1 290.451 2.949 20 30 CFEDMN CC#CCN1CCC[C@H](NC(=O)c2csc(C)c2)[C@@H]1C ZINC000994004077 624176749 /nfs/dbraw/zinc/17/67/49/624176749.db2.gz ICAFRPZSKFTYCG-ZFWWWQNUSA-N 0 1 290.432 2.663 20 30 CFEDMN C=CCN1CCC[C@@H](NC(=O)c2cnoc2C(C)C)[C@H]1C ZINC000994134522 624180270 /nfs/dbraw/zinc/18/02/70/624180270.db2.gz PHJKDJMTTOSRPV-TZMCWYRMSA-N 0 1 291.395 2.567 20 30 CFEDMN C=CCN1CCC[C@H](NC(=O)C2(C)CC(F)(F)C2)[C@H]1C ZINC000994209896 624183288 /nfs/dbraw/zinc/18/32/88/624183288.db2.gz WVLMVAOFKOUROR-NEPJUHHUSA-N 0 1 286.366 2.577 20 30 CFEDMN c1ccc(CN2CCC(N=Nc3ccccn3)CC2)nc1 ZINC000915944922 624190669 /nfs/dbraw/zinc/19/06/69/624190669.db2.gz VWHYZPWQOXKHDV-UHFFFAOYSA-N 0 1 281.363 2.541 20 30 CFEDMN CC(=NN=c1[nH]c2ccccc2n1C)c1ccncc1 ZINC000915968329 624196060 /nfs/dbraw/zinc/19/60/60/624196060.db2.gz WEENMRFEYXEGCC-UHFFFAOYSA-N 0 1 265.320 2.804 20 30 CFEDMN CC(N=Nc1nc2ccccc2n1C)c1ccncc1 ZINC000915968329 624196061 /nfs/dbraw/zinc/19/60/61/624196061.db2.gz WEENMRFEYXEGCC-UHFFFAOYSA-N 0 1 265.320 2.804 20 30 CFEDMN Cc1cc(NN=Cc2c[nH]nc2C(C)(C)C)nc(C)n1 ZINC000915968105 624196116 /nfs/dbraw/zinc/19/61/16/624196116.db2.gz RYTNERBUZQNPJF-UHFFFAOYSA-N 0 1 272.356 2.560 20 30 CFEDMN O=[N+]([O-])c1ccc(NN=Cc2ccc(F)cc2F)nc1 ZINC000915968878 624197356 /nfs/dbraw/zinc/19/73/56/624197356.db2.gz IIQFFFQAIDYEBK-UHFFFAOYSA-N 0 1 278.218 2.714 20 30 CFEDMN Cc1noc(C)c1C=NNc1nc2ccccc2n1C ZINC000915971238 624197370 /nfs/dbraw/zinc/19/73/70/624197370.db2.gz KPKZHFMEAFIQJF-UHFFFAOYSA-N 0 1 269.308 2.624 20 30 CFEDMN CC(=NNCCN1CCCCC1)c1ccc2c(c1)CCC2 ZINC000915974222 624198677 /nfs/dbraw/zinc/19/86/77/624198677.db2.gz QIDPEMJEBAPFAB-UHFFFAOYSA-N 0 1 285.435 2.975 20 30 CFEDMN C[C@@H]1C[C@H]1c1ccc(C=NNCCN2CCCCC2)o1 ZINC000915974572 624199868 /nfs/dbraw/zinc/19/98/68/624199868.db2.gz INYQRFWUIMYQDJ-UKRRQHHQSA-N 0 1 275.396 2.812 20 30 CFEDMN CCc1nnc(SCC2CCC(C#N)CC2)[nH]1 ZINC000916515486 624250098 /nfs/dbraw/zinc/25/00/98/624250098.db2.gz PSMXTRAOTZLDCV-UHFFFAOYSA-N 0 1 250.371 2.789 20 30 CFEDMN CCc1n[nH]c(SCC2CCC(C#N)CC2)n1 ZINC000916515486 624250099 /nfs/dbraw/zinc/25/00/99/624250099.db2.gz PSMXTRAOTZLDCV-UHFFFAOYSA-N 0 1 250.371 2.789 20 30 CFEDMN C=CCN1CCC[C@@H](NC(=O)c2ncccc2Cl)[C@H]1C ZINC000994269663 624267370 /nfs/dbraw/zinc/26/73/70/624267370.db2.gz DQZBJILEIXGEOR-DGCLKSJQSA-N 0 1 293.798 2.504 20 30 CFEDMN C=CCN1CCC[C@H](NC(=O)c2ccc(Cl)cn2)[C@H]1C ZINC000994270726 624267626 /nfs/dbraw/zinc/26/76/26/624267626.db2.gz IDVZOFILVNNFPN-YPMHNXCESA-N 0 1 293.798 2.504 20 30 CFEDMN C=CCN1CCC[C@H](NC(=O)c2ccc(F)cc2F)[C@@H]1C ZINC000994334600 624277304 /nfs/dbraw/zinc/27/73/04/624277304.db2.gz YYUHWPWUELOMKH-NHYWBVRUSA-N 0 1 294.345 2.734 20 30 CFEDMN C#CC[N@@H+]1CCC[C@@H](NC(=O)C(C)(C)c2ccccc2)[C@H]1C ZINC000994365113 624278062 /nfs/dbraw/zinc/27/80/62/624278062.db2.gz BXQFSUOSJCLIOA-NVXWUHKLSA-N 0 1 298.430 2.567 20 30 CFEDMN C#CCN1CCC[C@@H](NC(=O)C(C)(C)c2ccccc2)[C@H]1C ZINC000994365113 624278066 /nfs/dbraw/zinc/27/80/66/624278066.db2.gz BXQFSUOSJCLIOA-NVXWUHKLSA-N 0 1 298.430 2.567 20 30 CFEDMN C=CC[N@@H+]1CCC[C@@H](NC(=O)C2(c3ccccc3)CC2)[C@H]1C ZINC000994352920 624278172 /nfs/dbraw/zinc/27/81/72/624278172.db2.gz SBMVWKJFOZPXHF-NVXWUHKLSA-N 0 1 298.430 2.873 20 30 CFEDMN C=CCN1CCC[C@@H](NC(=O)C2(c3ccccc3)CC2)[C@H]1C ZINC000994352920 624278174 /nfs/dbraw/zinc/27/81/74/624278174.db2.gz SBMVWKJFOZPXHF-NVXWUHKLSA-N 0 1 298.430 2.873 20 30 CFEDMN C#CC[N@@H+]1CCC[C@H](NC(=O)c2ccc(C)c(C)c2)[C@H]1C ZINC000994353739 624278484 /nfs/dbraw/zinc/27/84/84/624278484.db2.gz RAQKMIUIAWAUDK-WBVHZDCISA-N 0 1 284.403 2.519 20 30 CFEDMN C#CCN1CCC[C@H](NC(=O)c2ccc(C)c(C)c2)[C@H]1C ZINC000994353739 624278485 /nfs/dbraw/zinc/27/84/85/624278485.db2.gz RAQKMIUIAWAUDK-WBVHZDCISA-N 0 1 284.403 2.519 20 30 CFEDMN C#CC[N@@H+]1CCC[C@H](NC(=O)c2ccc(C)c(C)c2)[C@@H]1C ZINC000994353737 624278493 /nfs/dbraw/zinc/27/84/93/624278493.db2.gz RAQKMIUIAWAUDK-RDJZCZTQSA-N 0 1 284.403 2.519 20 30 CFEDMN C#CCN1CCC[C@H](NC(=O)c2ccc(C)c(C)c2)[C@@H]1C ZINC000994353737 624278494 /nfs/dbraw/zinc/27/84/94/624278494.db2.gz RAQKMIUIAWAUDK-RDJZCZTQSA-N 0 1 284.403 2.519 20 30 CFEDMN C#CCN1CCC[C@H](NC(=O)C(C)(C)c2ccccc2)[C@H]1C ZINC000994365135 624278861 /nfs/dbraw/zinc/27/88/61/624278861.db2.gz BXQFSUOSJCLIOA-WBVHZDCISA-N 0 1 298.430 2.567 20 30 CFEDMN COc1ccc(O)c([C@H](C)NCC2(C#N)CCC2)c1 ZINC000828682291 624286671 /nfs/dbraw/zinc/28/66/71/624286671.db2.gz MNHYYDOBCJLVCD-NSHDSACASA-N 0 1 260.337 2.745 20 30 CFEDMN CCc1ccc(NC(=O)C(C#N)C(=O)CC2CC2)cc1 ZINC000916914199 624292736 /nfs/dbraw/zinc/29/27/36/624292736.db2.gz XFJLGNLGPRTAOG-CQSZACIVSA-N 0 1 270.332 2.696 20 30 CFEDMN C=CCNC(=O)CN1CCC(C2CCCCC2)CC1 ZINC000917059949 624304108 /nfs/dbraw/zinc/30/41/08/624304108.db2.gz MWXIAEVIAHGOOX-UHFFFAOYSA-N 0 1 264.413 2.581 20 30 CFEDMN C#CCNC(=O)CN1CCC[C@H]1c1ccc(C(C)(C)C)cc1 ZINC000917063288 624305031 /nfs/dbraw/zinc/30/50/31/624305031.db2.gz MTJIGLLTAAZNOW-KRWDZBQOSA-N 0 1 298.430 2.870 20 30 CFEDMN C=CCN(CC(=O)N(C)Cc1cccc(OC)c1)C(C)C ZINC000917071075 624307893 /nfs/dbraw/zinc/30/78/93/624307893.db2.gz NMSOQDMRCLJXDR-UHFFFAOYSA-N 0 1 290.407 2.550 20 30 CFEDMN C=CCN(CC(=O)N(C)CC1CCCCC1)C(C)C ZINC000917167955 624320688 /nfs/dbraw/zinc/32/06/88/624320688.db2.gz KECCPTMEVFADCX-UHFFFAOYSA-N 0 1 266.429 2.922 20 30 CFEDMN C=CCn1c(=O)[nH]nc1SCCSC(F)(F)F ZINC000917211089 624322424 /nfs/dbraw/zinc/32/24/24/624322424.db2.gz WAXVAPAYKQAAGC-UHFFFAOYSA-N 0 1 285.316 2.515 20 30 CFEDMN Cc1ccc2c(C=NNCCN3CCCCC3)c[nH]c2c1 ZINC000917544818 624352593 /nfs/dbraw/zinc/35/25/93/624352593.db2.gz IDYNGLYBUPXVPU-UHFFFAOYSA-N 0 1 284.407 2.886 20 30 CFEDMN C[C@H]1CC(NC(=O)c2cc3ccnc(Cl)c3s2)=NO1 ZINC000867063352 624470698 /nfs/dbraw/zinc/47/06/98/624470698.db2.gz WFMVSEYESUKXAO-LURJTMIESA-N 0 1 295.751 2.802 20 30 CFEDMN COc1ccc2cc(C(=O)N=C3C[C@@H](C)ON3)sc2c1 ZINC000867063485 624496197 /nfs/dbraw/zinc/49/61/97/624496197.db2.gz ZMRPDEJBDJPQBT-MRVPVSSYSA-N 0 1 290.344 2.762 20 30 CFEDMN C#CC[C@H]1CCCN(Cc2cc(F)ccc2[N+](=O)[O-])C1 ZINC000829778850 624532913 /nfs/dbraw/zinc/53/29/13/624532913.db2.gz IQIHZSPUHHHQPN-LBPRGKRZSA-N 0 1 276.311 2.969 20 30 CFEDMN C#CC[C@@H]1CCCN(CC(=O)Nc2ccc(C)cc2C)C1 ZINC000829779107 624533203 /nfs/dbraw/zinc/53/32/03/624533203.db2.gz MXWCLIJYIVJTBH-MRXNPFEDSA-N 0 1 284.403 2.977 20 30 CFEDMN C#CC[C@@H]1CCCN([C@H](C)c2nc(-c3cccnc3)no2)C1 ZINC000829778559 624533226 /nfs/dbraw/zinc/53/32/26/624533226.db2.gz DWCVDDTXMPTLPI-ZIAGYGMSSA-N 0 1 296.374 2.928 20 30 CFEDMN C#CC[C@H]1CCCN(CC(=O)Nc2cccc(C)c2C)C1 ZINC000829779386 624534375 /nfs/dbraw/zinc/53/43/75/624534375.db2.gz SQWCLASHHKOOOG-INIZCTEOSA-N 0 1 284.403 2.977 20 30 CFEDMN C#CC[C@@H]1CCCN(CC(=O)Nc2cc(C)ccc2C)C1 ZINC000829779131 624534861 /nfs/dbraw/zinc/53/48/61/624534861.db2.gz NRSNHGQWMRPZJP-MRXNPFEDSA-N 0 1 284.403 2.977 20 30 CFEDMN C#CC[C@H]1CCCN(Cc2ccc([N+](=O)[O-])c(F)c2)C1 ZINC000829811101 624551099 /nfs/dbraw/zinc/55/10/99/624551099.db2.gz YAFJGEIECBBGNE-LBPRGKRZSA-N 0 1 276.311 2.969 20 30 CFEDMN N#CCOc1ccc(CN2CCOC[C@H]2C2CCC2)cc1 ZINC000830234750 624680039 /nfs/dbraw/zinc/68/00/39/624680039.db2.gz IPEIFZDSSXYENN-KRWDZBQOSA-N 0 1 286.375 2.590 20 30 CFEDMN C#CC1CCN([C@@H](C)C(=O)Nc2ccc(CC)cc2)CC1 ZINC000830301773 624703303 /nfs/dbraw/zinc/70/33/03/624703303.db2.gz VLDFLCWNZHHKNM-AWEZNQCLSA-N 0 1 284.403 2.921 20 30 CFEDMN C#CC1CCN([C@@H](C)C(=O)N(CC)c2ccccc2)CC1 ZINC000830305710 624704170 /nfs/dbraw/zinc/70/41/70/624704170.db2.gz RSRPVWNSJTZBFD-HNNXBMFYSA-N 0 1 284.403 2.773 20 30 CFEDMN C#CC1CCN(Cc2nnc(-c3ccccc3)o2)CC1 ZINC000830311052 624704609 /nfs/dbraw/zinc/70/46/09/624704609.db2.gz CHKRZMJBPDCTEL-UHFFFAOYSA-N 0 1 267.332 2.582 20 30 CFEDMN C#CCCCN1CCN(Cc2ccccc2)C(=O)C1(C)C ZINC000830344611 624716087 /nfs/dbraw/zinc/71/60/87/624716087.db2.gz XNDLFEZWJNXDKT-UHFFFAOYSA-N 0 1 284.403 2.523 20 30 CFEDMN C[C@@H]1CCCC[C@@H]1CC(=O)[C@@H](C#N)C(=O)NC1CCCC1 ZINC000920790660 624772082 /nfs/dbraw/zinc/77/20/82/624772082.db2.gz FVVWNOUUWBGTGN-UMVBOHGHSA-N 0 1 290.407 2.970 20 30 CFEDMN C=C1CCC(CNC(=O)[C@H]2CCN2C(C)(C)C)CC1 ZINC000830984727 624947234 /nfs/dbraw/zinc/94/72/34/624947234.db2.gz CFFQYMVDCZGKHI-CQSZACIVSA-N 0 1 264.413 2.722 20 30 CFEDMN C=C1CCC(CNC(=O)c2ccc(CN(C)C)nc2)CC1 ZINC000830990644 624948422 /nfs/dbraw/zinc/94/84/22/624948422.db2.gz HHMQXZLXTGDLFD-UHFFFAOYSA-N 0 1 287.407 2.619 20 30 CFEDMN C[C@@H]1CC(=NC(=O)c2ccn(C)c2-c2ccccc2)NO1 ZINC000831398707 625009458 /nfs/dbraw/zinc/00/94/58/625009458.db2.gz FJBXQUCXDHACTE-LLVKDONJSA-N 0 1 283.331 2.544 20 30 CFEDMN C#CCCCCC(=O)C(C#N)C(=O)Nc1ccc(OC)cc1 ZINC000180739529 625037164 /nfs/dbraw/zinc/03/71/64/625037164.db2.gz CBTKBAHFTVMLJO-OAHLLOKOSA-N 0 1 298.342 2.536 20 30 CFEDMN C=C(Cl)CN1C[C@@H](C(=O)NCCCC)CC[C@@H]1C ZINC000069173684 625057517 /nfs/dbraw/zinc/05/75/17/625057517.db2.gz NCNYCZQBVUSQJO-STQMWFEESA-N 0 1 272.820 2.756 20 30 CFEDMN C=C[C@@H]1OCC[C@H]1NCC(=O)Nc1ccc2ccccc2c1 ZINC000831678801 625094919 /nfs/dbraw/zinc/09/49/19/625094919.db2.gz HNZODQWFNQKWAO-SJORKVTESA-N 0 1 296.370 2.711 20 30 CFEDMN CCCCCCNC(=O)[C@@H](C#N)C(=O)CC(C)(C)C ZINC000069910886 625243029 /nfs/dbraw/zinc/24/30/29/625243029.db2.gz LSOWGLIYXMQXCG-LBPRGKRZSA-N 0 1 266.385 2.828 20 30 CFEDMN C=C(Cl)CN[C@H]1CN(C(=O)/C=C(\C)C2CC2)CC1(C)C ZINC000995506026 625731240 /nfs/dbraw/zinc/73/12/40/625731240.db2.gz REOXYGXXCJXEAF-OIOXUXFSSA-N 0 1 296.842 2.922 20 30 CFEDMN C=C(Cl)CN[C@@H]1CN(C(=O)/C=C\C2CC2)CC1(C)C ZINC000995601241 625743584 /nfs/dbraw/zinc/74/35/84/625743584.db2.gz UYYJAOWJOOWNGC-FMFIFOJESA-N 0 1 282.815 2.532 20 30 CFEDMN C#CCOc1ccc(CN2C[C@H](C)OC[C@H]2CC)cc1 ZINC000768174153 625871033 /nfs/dbraw/zinc/87/10/33/625871033.db2.gz XIAGOVCTDSPWME-GOEBONIOSA-N 0 1 273.376 2.698 20 30 CFEDMN C#CCOc1ccc(CN2C[C@H](C)OC[C@@H]2CC)cc1 ZINC000768174182 625873094 /nfs/dbraw/zinc/87/30/94/625873094.db2.gz XIAGOVCTDSPWME-HOCLYGCPSA-N 0 1 273.376 2.698 20 30 CFEDMN C=C(Cl)CN[C@H]1CN(C(=O)[C@@H](C)C(C)C)CC1(C)C ZINC000996366584 625898033 /nfs/dbraw/zinc/89/80/33/625898033.db2.gz AREROYLIDMQYMJ-STQMWFEESA-N 0 1 286.847 2.858 20 30 CFEDMN C=C(Cl)CN[C@@H]1CN(C(=O)C(C)(C)C)CC1(C)C ZINC000996538605 625905324 /nfs/dbraw/zinc/90/53/24/625905324.db2.gz GNOLKZJJTFVVGZ-LLVKDONJSA-N 0 1 272.820 2.612 20 30 CFEDMN Fc1cccc(NN=Cc2ccc3oncc3c2)n1 ZINC000814928024 625909528 /nfs/dbraw/zinc/90/95/28/625909528.db2.gz RRZXOWFOXSRVJF-UHFFFAOYSA-N 0 1 256.240 2.808 20 30 CFEDMN Nc1ccc2c(n1)CCCC2=NNC1CCCCC1 ZINC000834971279 625938126 /nfs/dbraw/zinc/93/81/26/625938126.db2.gz CVJLEBRNHBNTOY-UHFFFAOYSA-N 0 1 258.369 2.627 20 30 CFEDMN Cc1nn(C)c(C)c1C=NNc1cc(C(F)(F)F)ccn1 ZINC000834984176 625945569 /nfs/dbraw/zinc/94/55/69/625945569.db2.gz QKWBHXZOFHNSKE-UHFFFAOYSA-N 0 1 297.284 2.897 20 30 CFEDMN CCc1nn(C)cc1C=NNc1cc(C(F)(F)F)ccn1 ZINC000834984143 625945706 /nfs/dbraw/zinc/94/57/06/625945706.db2.gz PBQHHIDCRHPICH-UHFFFAOYSA-N 0 1 297.284 2.842 20 30 CFEDMN CC(C)ON=C1CCN(Cc2ccccn2)C[C@H]1C ZINC000834999450 625948575 /nfs/dbraw/zinc/94/85/75/625948575.db2.gz BTEVATPOAUGVOQ-CYBMUJFWSA-N 0 1 261.369 2.704 20 30 CFEDMN CC(C)c1nc(C(C)N=Nc2ccncn2)cs1 ZINC000835002350 625950629 /nfs/dbraw/zinc/95/06/29/625950629.db2.gz VBIWNBLYJDVXDV-UHFFFAOYSA-N 0 1 261.354 2.893 20 30 CFEDMN CC(C)[N@@H+]1CC(N=Nc2ccc(C(=O)[O-])c(F)c2)[C@@H](C)C1 ZINC000835009857 625957055 /nfs/dbraw/zinc/95/70/55/625957055.db2.gz FYTDXQKFPHMRTJ-JTQLQIEISA-N 0 1 293.342 2.652 20 30 CFEDMN Fc1cccc2c1CC[C@@H]2NN=C1CCN2CCC[C@@H]12 ZINC000835019269 625965561 /nfs/dbraw/zinc/96/55/61/625965561.db2.gz ATEXQVIWDKFMMZ-HOCLYGCPSA-N 0 1 273.355 2.627 20 30 CFEDMN Cc1nc2cccc(C(=O)N[C@@H](C#N)C3CCCC3)c2[nH]1 ZINC000921550200 625984950 /nfs/dbraw/zinc/98/49/50/625984950.db2.gz SVFPHBLFVRJILV-AWEZNQCLSA-N 0 1 282.347 2.684 20 30 CFEDMN C=CCN1CC[C@@H](NC(=O)c2c(Cl)cccc2Cl)C1 ZINC001016089249 626031891 /nfs/dbraw/zinc/03/18/91/626031891.db2.gz XBCNLODIWQGIBS-SNVBAGLBSA-N 0 1 299.201 2.984 20 30 CFEDMN C=C(Cl)CN[C@@H]1CCCN(C(=O)C2CCCC2)C1 ZINC000998339122 626045012 /nfs/dbraw/zinc/04/50/12/626045012.db2.gz HVZOSIFOHKABOL-CYBMUJFWSA-N 0 1 270.804 2.510 20 30 CFEDMN C=C(Cl)CN[C@@H]1CCCN(C(=O)/C=C\c2ccco2)C1 ZINC000998408209 626048320 /nfs/dbraw/zinc/04/83/20/626048320.db2.gz SBUBWDYZWRUDCF-FMFIFOJESA-N 0 1 294.782 2.626 20 30 CFEDMN CC(C)=CC(=O)N1CCC[C@@H](NCc2ccccc2C#N)C1 ZINC000998446896 626051082 /nfs/dbraw/zinc/05/10/82/626051082.db2.gz MWACACRMCXUMNE-QGZVFWFLSA-N 0 1 297.402 2.605 20 30 CFEDMN C=C(Cl)CN[C@H]1CCCN(C(=O)c2cccs2)C1 ZINC000998448932 626051582 /nfs/dbraw/zinc/05/15/82/626051582.db2.gz ZPSXDNKPLOYPRK-NSHDSACASA-N 0 1 284.812 2.695 20 30 CFEDMN C=C(Cl)CN[C@H]1CCCN(C(=O)C2(C3CC3)CC2)C1 ZINC000999442971 626073689 /nfs/dbraw/zinc/07/36/89/626073689.db2.gz LTJZWEYEBFNDML-ZDUSSCGKSA-N 0 1 282.815 2.510 20 30 CFEDMN C=C(Cl)CN[C@H]1CCCN(C(=O)[C@H]2CCCC23CC3)C1 ZINC000999506488 626074795 /nfs/dbraw/zinc/07/47/95/626074795.db2.gz PIUMZSLFSNGZNI-UONOGXRCSA-N 0 1 296.842 2.900 20 30 CFEDMN C=C(Cl)CN[C@H]1CCCN(C(=O)C(C)(C)CC)C1 ZINC001000042077 626086534 /nfs/dbraw/zinc/08/65/34/626086534.db2.gz BZYFYFKRTIOICS-LBPRGKRZSA-N 0 1 272.820 2.756 20 30 CFEDMN C=C(Cl)CN[C@@H]1CCCN(C(=O)[C@@H]2C[C@H]2CCC)C1 ZINC001000135520 626089935 /nfs/dbraw/zinc/08/99/35/626089935.db2.gz IXFPRTBVGCCJSI-MGPQQGTHSA-N 0 1 284.831 2.756 20 30 CFEDMN C[C@H](O)c1ncc(CN=Nc2cc(Cl)ccn2)s1 ZINC000773078276 626099642 /nfs/dbraw/zinc/09/96/42/626099642.db2.gz GWCBFIQJRCCYIJ-ZETCQYMHSA-N 0 1 282.756 2.691 20 30 CFEDMN C=CC[C@H](NCc1c2c(nn1C)CCC2)c1ccncc1 ZINC000921747374 626104800 /nfs/dbraw/zinc/10/48/00/626104800.db2.gz NVFUCBRKPVYXDP-HNNXBMFYSA-N 0 1 282.391 2.711 20 30 CFEDMN C(#Cc1ccccc1)CNCc1cnn(CC2CCC2)c1 ZINC000921754301 626107829 /nfs/dbraw/zinc/10/78/29/626107829.db2.gz HNVUFNVCTSFABY-UHFFFAOYSA-N 0 1 279.387 2.825 20 30 CFEDMN C=C(Cl)CN[C@@H]1CCCN(C(=O)[C@@H]2C[C@H]2C2CCC2)C1 ZINC001000434719 626118709 /nfs/dbraw/zinc/11/87/09/626118709.db2.gz XIEUYAJXSXJRIC-QLFBSQMISA-N 0 1 296.842 2.756 20 30 CFEDMN CC#CCN1CC=C(CNC(=O)c2c(C)cccc2C)CC1 ZINC001001198651 626149506 /nfs/dbraw/zinc/14/95/06/626149506.db2.gz JUJKVFAMMDIVJH-UHFFFAOYSA-N 0 1 296.414 2.689 20 30 CFEDMN C=Cc1ccc(C(=O)NCC2=CCN(CC#CC)CC2)cc1 ZINC001001186985 626149780 /nfs/dbraw/zinc/14/97/80/626149780.db2.gz LFBVWQDXVGHACN-UHFFFAOYSA-N 0 1 294.398 2.715 20 30 CFEDMN N#Cc1cc(CNCc2ccc3c(c2)COC3)cs1 ZINC000921863712 626170035 /nfs/dbraw/zinc/17/00/35/626170035.db2.gz XAZUCXMRUCTXJT-UHFFFAOYSA-N 0 1 270.357 2.940 20 30 CFEDMN C=C(C)CN1CC[C@@H](NC(=O)[C@]2(C)CC=C(C)CC2)C1 ZINC001016308191 626178675 /nfs/dbraw/zinc/17/86/75/626178675.db2.gz CDICMDXQVIMMAZ-NVXWUHKLSA-N 0 1 276.424 2.890 20 30 CFEDMN CC(C)c1nc([C@@H](C)NCc2csc(C#N)c2)n[nH]1 ZINC000921945054 626182696 /nfs/dbraw/zinc/18/26/96/626182696.db2.gz FWWWIBVUOXPSDI-SECBINFHSA-N 0 1 275.381 2.712 20 30 CFEDMN C[C@@H]1OCC[C@H]1NCc1cc(C#N)ccc1Br ZINC000921949221 626184072 /nfs/dbraw/zinc/18/40/72/626184072.db2.gz IIKONJXZANMGNF-TVQRCGJNSA-N 0 1 295.180 2.588 20 30 CFEDMN CCOC[C@H](C)NCc1cc(C#N)ccc1Br ZINC000922016990 626196733 /nfs/dbraw/zinc/19/67/33/626196733.db2.gz QGAUJOKVBYIWPE-JTQLQIEISA-N 0 1 297.196 2.835 20 30 CFEDMN C=C(C)CN1CC[C@@H](NC(=O)C2(c3cccc(C)c3)CC2)C1 ZINC001016343884 626202116 /nfs/dbraw/zinc/20/21/16/626202116.db2.gz AFRHEWROQGHDNP-QGZVFWFLSA-N 0 1 298.430 2.793 20 30 CFEDMN C=CCN1CC[C@@H](NC(=O)C23CC(C(C)(C)C)(C2)C3)C1 ZINC001016376511 626223696 /nfs/dbraw/zinc/22/36/96/626223696.db2.gz XSVFVQALUOJYSP-NVPAJSRCSA-N 0 1 276.424 2.579 20 30 CFEDMN CC#CCN1CCC(NC(=O)c2ccccc2CCC)CC1 ZINC001003282697 626224826 /nfs/dbraw/zinc/22/48/26/626224826.db2.gz SEJJEWZVRUBDQP-UHFFFAOYSA-N 0 1 298.430 2.857 20 30 CFEDMN C#Cc1cccc(CNCc2ccnn2C2CCC2)c1 ZINC000922167801 626229245 /nfs/dbraw/zinc/22/92/45/626229245.db2.gz FSYXBRVNQYADKW-UHFFFAOYSA-N 0 1 265.360 2.879 20 30 CFEDMN Cc1cc(CNCc2csc(C#N)c2)cc(C)n1 ZINC000922191764 626236782 /nfs/dbraw/zinc/23/67/82/626236782.db2.gz KNUVINNIFHODME-UHFFFAOYSA-N 0 1 257.362 2.921 20 30 CFEDMN C=C1CC(C)(C(=O)NC2CCN(C[C@@H](F)CC)CC2)C1 ZINC001003596183 626240887 /nfs/dbraw/zinc/24/08/87/626240887.db2.gz OBIILCSTNVNYSX-ZDUSSCGKSA-N 0 1 282.403 2.671 20 30 CFEDMN N#Cc1cc(CN[C@H]2C[C@@H](O)c3ccccc32)cs1 ZINC000922246263 626250587 /nfs/dbraw/zinc/25/05/87/626250587.db2.gz LLJQERMECRRSAV-LSDHHAIUSA-N 0 1 270.357 2.888 20 30 CFEDMN C#CCOCCN(CC)Cc1ccccc1Cl ZINC000851726296 634491744 /nfs/dbraw/zinc/49/17/44/634491744.db2.gz NRZYCYXLTYRCQL-UHFFFAOYSA-N 0 1 251.757 2.812 20 30 CFEDMN N#CC[C@H](NCc1cc(F)cc(F)c1O)C(F)(F)F ZINC000922650405 626333859 /nfs/dbraw/zinc/33/38/59/626333859.db2.gz PIWJGGULRWEISX-VIFPVBQESA-N 0 1 280.196 2.605 20 30 CFEDMN CC#CCN1CCC(NC(=O)C2(C)C(C)(C)C2(C)C)CC1 ZINC001004278517 626334063 /nfs/dbraw/zinc/33/40/63/626334063.db2.gz QLEAPMQJFVDYBQ-UHFFFAOYSA-N 0 1 290.451 2.663 20 30 CFEDMN Cc1cc(C#N)cc(C)c1COC(=O)[C@@H](C(C)C)N(C)C ZINC000922663909 626335545 /nfs/dbraw/zinc/33/55/45/626335545.db2.gz HPJOIBGDGHAUKR-MRXNPFEDSA-N 0 1 288.391 2.805 20 30 CFEDMN COc1cc(CNCc2ncc(C)cc2C)ccc1C#N ZINC000922741301 626354183 /nfs/dbraw/zinc/35/41/83/626354183.db2.gz IWQVHDINLOVRLT-UHFFFAOYSA-N 0 1 281.359 2.869 20 30 CFEDMN CC(C)(C(=O)OCC1CCC(C#N)CC1)N1CCCC1 ZINC000922730143 626354418 /nfs/dbraw/zinc/35/44/18/626354418.db2.gz BFGWLGLJEZLZJT-UHFFFAOYSA-N 0 1 278.396 2.734 20 30 CFEDMN COc1cncc(CNCc2ccc(C)c(C#N)c2)c1C ZINC000922760062 626359807 /nfs/dbraw/zinc/35/98/07/626359807.db2.gz OATQJZKQTNTEEZ-UHFFFAOYSA-N 0 1 281.359 2.869 20 30 CFEDMN C=CCN(CCC(OC)OC)Cc1ccccc1F ZINC000851734964 634499364 /nfs/dbraw/zinc/49/93/64/634499364.db2.gz ZFVFPKBBHMJTRC-UHFFFAOYSA-N 0 1 267.344 2.823 20 30 CFEDMN C#CCN1CCC(N(C)C(=O)c2cscc2Cl)CC1 ZINC001005542469 626416949 /nfs/dbraw/zinc/41/69/49/626416949.db2.gz LVVGBGKPEVOVIR-UHFFFAOYSA-N 0 1 296.823 2.571 20 30 CFEDMN N#CC1(c2ccc(CNCc3cncc(O)c3)cc2)CC1 ZINC000922976146 626435872 /nfs/dbraw/zinc/43/58/72/626435872.db2.gz SBBFTFYAJVMIPX-UHFFFAOYSA-N 0 1 279.343 2.632 20 30 CFEDMN C#CCC1(NCc2csc(-c3ccn(C)n3)n2)CCC1 ZINC000922998960 626441116 /nfs/dbraw/zinc/44/11/16/626441116.db2.gz OHQZFBZCXMRPFC-UHFFFAOYSA-N 0 1 286.404 2.579 20 30 CFEDMN CC#CCN1CCC(N(C)C(=O)[C@@H]2CCCC[C@@H]2C)CC1 ZINC001005901491 626448229 /nfs/dbraw/zinc/44/82/29/626448229.db2.gz LNNMQQMLVUWQFE-DOTOQJQBSA-N 0 1 290.451 2.759 20 30 CFEDMN CC#CCN1CCC(N(C)C(=O)C2(C)CCCCC2)CC1 ZINC001005924984 626451815 /nfs/dbraw/zinc/45/18/15/626451815.db2.gz VSDQDUTUYIFPPK-UHFFFAOYSA-N 0 1 290.451 2.903 20 30 CFEDMN CC#CCN1CCC(N(C)C(=O)[C@H]2CCC[C@H]2CC)CC1 ZINC001005948751 626453453 /nfs/dbraw/zinc/45/34/53/626453453.db2.gz PJTONXRNGIWLNO-WBVHZDCISA-N 0 1 290.451 2.759 20 30 CFEDMN CC#CCN1CCC(N(C)C(=O)c2c(C)cccc2C)CC1 ZINC001006043398 626465120 /nfs/dbraw/zinc/46/51/20/626465120.db2.gz URQRNNOMDHYIAM-UHFFFAOYSA-N 0 1 298.430 2.863 20 30 CFEDMN C=C(C)CN1CC[C@@H](NC(=O)c2ccc3oc(C)nc3c2)C1 ZINC001014873217 626475733 /nfs/dbraw/zinc/47/57/33/626475733.db2.gz ZAHXQSQHOUEUJR-CQSZACIVSA-N 0 1 299.374 2.516 20 30 CFEDMN C#CCC(C)(C)COC(=O)c1ccc(-c2nnc[nH]2)cc1 ZINC000788086776 626483438 /nfs/dbraw/zinc/48/34/38/626483438.db2.gz OHDWKZNTTBMLKS-UHFFFAOYSA-N 0 1 283.331 2.678 20 30 CFEDMN C#CCN1CCC(C(=O)O[C@@H]2CCCC(C)(C)C2)CC1 ZINC000839442614 626536731 /nfs/dbraw/zinc/53/67/31/626536731.db2.gz SUDNWJUYVCWBEJ-OAHLLOKOSA-N 0 1 277.408 2.844 20 30 CFEDMN N#Cc1ccc(C(=O)Nc2nc(Cl)ccc2O)s1 ZINC000790056532 626541030 /nfs/dbraw/zinc/54/10/30/626541030.db2.gz NWYJZYCNHVHQDX-UHFFFAOYSA-N 0 1 279.708 2.626 20 30 CFEDMN CCCCCCCCCC[N@H+]1CCO[C@H](C(=O)[O-])C1 ZINC000103502278 626547464 /nfs/dbraw/zinc/54/74/64/626547464.db2.gz PMXJATOMQDUMEM-AWEZNQCLSA-N 0 1 271.401 2.913 20 30 CFEDMN C=C(Cl)CN[C@H](c1ccccc1)C1(CO)CCOCC1 ZINC000839654486 626549673 /nfs/dbraw/zinc/54/96/73/626549673.db2.gz IFFQCBHVRCDBEJ-OAHLLOKOSA-N 0 1 295.810 2.859 20 30 CFEDMN Cn1nnc2cc(/C=C/C(=O)c3ccccc3O)ccc21 ZINC000757475215 626553216 /nfs/dbraw/zinc/55/32/16/626553216.db2.gz QHQXOECGCMDTFB-VQHVLOKHSA-N 0 1 279.299 2.570 20 30 CFEDMN C=CC[C@@H](CO)NCc1c(C)nn(CCCC)c1Cl ZINC000758003283 626572160 /nfs/dbraw/zinc/57/21/60/626572160.db2.gz KRTJNPPXVICXEK-LBPRGKRZSA-N 0 1 285.819 2.672 20 30 CFEDMN Cc1oc2ccccc2c1C=NNC1=N[C@@H]2CCCC[C@@H]2N1 ZINC000758119017 626577371 /nfs/dbraw/zinc/57/73/71/626577371.db2.gz LZVLCCPNFMHKDE-GASCZTMLSA-N 0 1 296.374 2.935 20 30 CFEDMN CC(C)(C)c1noc(C=NNc2cnnc3ccccc32)n1 ZINC000758124095 626577867 /nfs/dbraw/zinc/57/78/67/626577867.db2.gz QTAKAEXMCMDTJJ-UHFFFAOYSA-N 0 1 296.334 2.756 20 30 CFEDMN COC(=O)c1ccc(NN=Cc2cc(F)cc(F)c2)nc1 ZINC000758140584 626578840 /nfs/dbraw/zinc/57/88/40/626578840.db2.gz HIMZYNDVZBRYMG-UHFFFAOYSA-N 0 1 291.257 2.592 20 30 CFEDMN CN(Cn1cccc(C#N)c1=O)[C@H]1CCCc2ccccc21 ZINC000758186907 626580806 /nfs/dbraw/zinc/58/08/06/626580806.db2.gz QVXGDZDMIZADOJ-KRWDZBQOSA-N 0 1 293.370 2.687 20 30 CFEDMN Cc1ccccc1[C@H]1CCCN1Cn1cccc(C#N)c1=O ZINC000758189401 626581182 /nfs/dbraw/zinc/58/11/82/626581182.db2.gz JCMQGDGCYXZWLT-QGZVFWFLSA-N 0 1 293.370 2.823 20 30 CFEDMN C=CCC(CC=C)C(=O)Nc1cc(C#N)ccc1O ZINC000759094588 626628416 /nfs/dbraw/zinc/62/84/16/626628416.db2.gz KPDPPJQDPVIWOL-UHFFFAOYSA-N 0 1 256.305 2.971 20 30 CFEDMN CC(Cc1cccc(F)c1)=NNCCN1CCCCC1 ZINC000759202496 626636231 /nfs/dbraw/zinc/63/62/31/626636231.db2.gz QRJVVBPMALQUJW-UHFFFAOYSA-N 0 1 277.387 2.820 20 30 CFEDMN C=C[C@](C)(CC)COC(=O)C(C)(C)NC(=O)C(F)(F)F ZINC000759687935 626683678 /nfs/dbraw/zinc/68/36/78/626683678.db2.gz VTHHJHRAHQGPSM-GFCCVEGCSA-N 0 1 295.301 2.589 20 30 CFEDMN N#CCc1ccc(C(=O)Nc2cc(C#N)ccc2O)cc1 ZINC000759718624 626686942 /nfs/dbraw/zinc/68/69/42/626686942.db2.gz ZMUBLJUJULRPCI-UHFFFAOYSA-N 0 1 277.283 2.582 20 30 CFEDMN COc1ccccc1NC(=O)C(C#N)C(=O)[C@@H]1CC12CCC2 ZINC000759834214 626694533 /nfs/dbraw/zinc/69/45/33/626694533.db2.gz NAXANAICLWKKJX-NEPJUHHUSA-N 0 1 298.342 2.533 20 30 CFEDMN COc1ccc(NC(=O)C(C#N)C(=O)[C@H]2CC23CCC3)cc1 ZINC000759835779 626694730 /nfs/dbraw/zinc/69/47/30/626694730.db2.gz VQDLOQWMFCSNCV-UONOGXRCSA-N 0 1 298.342 2.533 20 30 CFEDMN Cc1cc(C)c(C=NN=c2[nH]c3ccccc3[nH]2)[nH]1 ZINC000760223102 626720976 /nfs/dbraw/zinc/72/09/76/626720976.db2.gz DJPQCCGKRYNWAI-UHFFFAOYSA-N 0 1 253.309 2.954 20 30 CFEDMN Cc1cc(C)c(C=[NH+][N-]c2nc3ccccc3[nH]2)[nH]1 ZINC000760223102 626720978 /nfs/dbraw/zinc/72/09/78/626720978.db2.gz DJPQCCGKRYNWAI-UHFFFAOYSA-N 0 1 253.309 2.954 20 30 CFEDMN Cc1cc(C=NNCCN2CCCCC2)c(C)s1 ZINC000760242194 626723382 /nfs/dbraw/zinc/72/33/82/626723382.db2.gz FULCUFRUDFFTGI-UHFFFAOYSA-N 0 1 265.426 2.774 20 30 CFEDMN CC(C)(Oc1ccc(F)cc1)C(=O)C(C#N)c1ccncn1 ZINC000760339420 626736229 /nfs/dbraw/zinc/73/62/29/626736229.db2.gz JSRMGYIWRLMYRI-ZDUSSCGKSA-N 0 1 299.305 2.650 20 30 CFEDMN N#C[C@H](C(=O)Cc1cccc(Cl)c1)c1ccncn1 ZINC000760360171 626739644 /nfs/dbraw/zinc/73/96/44/626739644.db2.gz WNYDLHDFJNNPGE-LBPRGKRZSA-N 0 1 271.707 2.549 20 30 CFEDMN C#CCCN(Cc1cc(OC)ccc1OC)C1CC1 ZINC000760807301 626773438 /nfs/dbraw/zinc/77/34/38/626773438.db2.gz IZHVXFIJUQKCRS-UHFFFAOYSA-N 0 1 259.349 2.692 20 30 CFEDMN N#CCOc1ccc(CN2CC[C@@H](C(F)(F)F)C2)cc1 ZINC000761044380 626793427 /nfs/dbraw/zinc/79/34/27/626793427.db2.gz JQVPRWZSMNCQGR-GFCCVEGCSA-N 0 1 284.281 2.973 20 30 CFEDMN COCC1(N(C)Cc2cc(Cl)ccc2OCC#N)CC1 ZINC000761102231 626804635 /nfs/dbraw/zinc/80/46/35/626804635.db2.gz OEHKLKGRNPFDAU-UHFFFAOYSA-N 0 1 294.782 2.853 20 30 CFEDMN CC[C@@]1(C)COCCN1Cc1ccc(OCC#N)cc1 ZINC000761109476 626806206 /nfs/dbraw/zinc/80/62/06/626806206.db2.gz ILDWMZXSDBDSCH-INIZCTEOSA-N 0 1 274.364 2.590 20 30 CFEDMN Cc1nn(C(C)C)c(C)c1C(C)N=Nc1cnn(C)c1 ZINC000761860896 626865099 /nfs/dbraw/zinc/86/50/99/626865099.db2.gz OOKROFWDEQMZSM-UHFFFAOYSA-N 0 1 274.372 2.650 20 30 CFEDMN CC(=NNc1cnn(C)c1)c1nc2ccccc2s1 ZINC000761867685 626866677 /nfs/dbraw/zinc/86/66/77/626866677.db2.gz WHPSBUIURSZEMP-UHFFFAOYSA-N 0 1 271.349 2.866 20 30 CFEDMN C[C@H]1CCN(Cc2ccccc2)CC1N=Nc1cnn(C)c1 ZINC000761866914 626866729 /nfs/dbraw/zinc/86/67/29/626866729.db2.gz RVJWYGQPUYJMPT-AWEZNQCLSA-N 0 1 297.406 2.730 20 30 CFEDMN Cc1ccc2cc(CN=Nc3cnn(C)c3)ccc2n1 ZINC000761881853 626869386 /nfs/dbraw/zinc/86/93/86/626869386.db2.gz RDEAUIBAASJTDJ-UHFFFAOYSA-N 0 1 265.320 2.723 20 30 CFEDMN CC(N=Nc1cnn(C)c1)c1cc2c(s1)CCC2 ZINC000761882130 626869451 /nfs/dbraw/zinc/86/94/51/626869451.db2.gz YFECXQJOBYLLHN-UHFFFAOYSA-N 0 1 260.366 2.806 20 30 CFEDMN COc1cc(C)c(C(C)=NNc2cnn(C)c2)cc1OC ZINC000761885342 626870411 /nfs/dbraw/zinc/87/04/11/626870411.db2.gz RJUXDMQAGBYIMH-UHFFFAOYSA-N 0 1 288.351 2.582 20 30 CFEDMN CCC(CC)[C@H](C)C(=O)C(C#N)C(=O)NC1CCCC1 ZINC000762039884 626883229 /nfs/dbraw/zinc/88/32/29/626883229.db2.gz SIHDUIKDJCYKNA-SMDDNHRTSA-N 0 1 278.396 2.826 20 30 CFEDMN C#CCN1CCC[C@@H]1COC(=O)[C@H](C)C(CC)CC ZINC000762063287 626885485 /nfs/dbraw/zinc/88/54/85/626885485.db2.gz UQQBLJYDAKGYRR-UKRRQHHQSA-N 0 1 265.397 2.700 20 30 CFEDMN COc1ccc2oc(C=NN=c3cc(C)[nH]cn3)cc2c1 ZINC000763362886 626982998 /nfs/dbraw/zinc/98/29/98/626982998.db2.gz HYZDDCBTDKBOQR-UHFFFAOYSA-N 0 1 282.303 2.986 20 30 CFEDMN CCOc1cccc(CNCc2ccc(OCC#N)cc2)n1 ZINC000763429627 626989261 /nfs/dbraw/zinc/98/92/61/626989261.db2.gz HGNGKXCVAPJKAW-UHFFFAOYSA-N 0 1 297.358 2.672 20 30 CFEDMN CCC(CC)CN(CCC#N)C[C@@H]1CC2(CC2)C(=O)O1 ZINC000763695645 627006119 /nfs/dbraw/zinc/00/61/19/627006119.db2.gz HCIZEDTXSKVTPO-AWEZNQCLSA-N 0 1 278.396 2.734 20 30 CFEDMN C#CCN(Cc1ccc(OC(F)F)cc1)C1CC1 ZINC000763950066 627024735 /nfs/dbraw/zinc/02/47/35/627024735.db2.gz INNQZYDEBVWMAN-UHFFFAOYSA-N 0 1 251.276 2.886 20 30 CFEDMN C#CCN1CCC[C@@H]1COC(=O)[C@@H](CCC)C(C)C ZINC000764624483 627077721 /nfs/dbraw/zinc/07/77/21/627077721.db2.gz HIOGICFIYZLGKF-CABCVRRESA-N 0 1 265.397 2.700 20 30 CFEDMN C#CCN(Cc1c[nH]nc1-c1cccc(OC)c1)C1CC1 ZINC000764683487 627083762 /nfs/dbraw/zinc/08/37/62/627083762.db2.gz RBYAQNBMDIFHJO-UHFFFAOYSA-N 0 1 281.359 2.683 20 30 CFEDMN CC#CCCN1C[C@H](C)N(C(=O)OC(C)(C)C)C[C@@H]1C ZINC000764980764 627110420 /nfs/dbraw/zinc/11/04/20/627110420.db2.gz FWCNUSDYLUKNDS-KBPBESRZSA-N 0 1 280.412 2.730 20 30 CFEDMN C[C@H]1CC(NC(=O)c2sccc2SC(F)F)=NO1 ZINC000765380338 627134391 /nfs/dbraw/zinc/13/43/91/627134391.db2.gz LWDRRSICBDSQRJ-YFKPBYRVSA-N 0 1 292.332 2.915 20 30 CFEDMN C=CCC[C@@H](C)OC(=O)c1cccc(-c2nnc[nH]2)c1 ZINC000765495757 627142631 /nfs/dbraw/zinc/14/26/31/627142631.db2.gz HGOOEBSATFDMPD-LLVKDONJSA-N 0 1 271.320 2.983 20 30 CFEDMN C#CCN1CCC[C@H]1COC(=O)[C@@H](c1ccccc1)C1CC1 ZINC000765940171 627165167 /nfs/dbraw/zinc/16/51/67/627165167.db2.gz JLAGWTYKCPBBJQ-ROUUACIJSA-N 0 1 297.398 2.821 20 30 CFEDMN CCN(Cn1cc2c(c(C#N)c1=O)CCC2)C1CCCCC1 ZINC000766611597 627211167 /nfs/dbraw/zinc/21/11/67/627211167.db2.gz NDFXIKCLXKOSLS-UHFFFAOYSA-N 0 1 299.418 2.821 20 30 CFEDMN CCC(CC)N(Cn1cc2c(c(C#N)c1=O)CCC2)C1CC1 ZINC000766613571 627211553 /nfs/dbraw/zinc/21/15/53/627211553.db2.gz XKKNACNMFLNAMU-UHFFFAOYSA-N 0 1 299.418 2.819 20 30 CFEDMN C#CCCN(CC(F)(F)F)C(=O)c1cc(C(C)C)[nH]n1 ZINC000767160607 627237494 /nfs/dbraw/zinc/23/74/94/627237494.db2.gz YBAQKFMTMNJMFW-UHFFFAOYSA-N 0 1 287.285 2.561 20 30 CFEDMN C=CCCCOC(=O)c1cccc(-c2nnc[nH]2)c1 ZINC000767807548 627287092 /nfs/dbraw/zinc/28/70/92/627287092.db2.gz URZXYNRVGKKMJZ-UHFFFAOYSA-N 0 1 257.293 2.595 20 30 CFEDMN CC#CCCCC(=O)OC[C@@H]1CCC[N@H+]1Cc1ccco1 ZINC000768004396 627302024 /nfs/dbraw/zinc/30/20/24/627302024.db2.gz WCEXCWXPJYVIAG-HNNXBMFYSA-N 0 1 289.375 2.981 20 30 CFEDMN CC#CCCCC(=O)OC[C@@H]1CCCN1Cc1ccco1 ZINC000768004396 627302026 /nfs/dbraw/zinc/30/20/26/627302026.db2.gz WCEXCWXPJYVIAG-HNNXBMFYSA-N 0 1 289.375 2.981 20 30 CFEDMN CC[C@@H]1CO[C@H](C)CN1Cc1ccc(O[C@@H](C)C#N)cc1 ZINC000768174639 627323785 /nfs/dbraw/zinc/32/37/85/627323785.db2.gz ZIVYFBCNTHMACK-SQWLQELKSA-N 0 1 288.391 2.977 20 30 CFEDMN C=CCN(Cc1cnc2nc(C)cc(C)n12)C(C)C ZINC000768548095 627352982 /nfs/dbraw/zinc/35/29/82/627352982.db2.gz WJTSKDVOJKXCHZ-UHFFFAOYSA-N 0 1 258.369 2.743 20 30 CFEDMN C#CCN1CCC(C(=O)OCCc2ccccc2CC)CC1 ZINC000768693725 627365309 /nfs/dbraw/zinc/36/53/09/627365309.db2.gz UDNJGJMGGQHTGV-UHFFFAOYSA-N 0 1 299.414 2.680 20 30 CFEDMN C[C@H](C#N)Oc1ccc(CN2CCOC(C)(C)[C@H]2C)cc1 ZINC000769452287 627440884 /nfs/dbraw/zinc/44/08/84/627440884.db2.gz UZRZJLVCNAOXFE-ZIAGYGMSSA-N 0 1 288.391 2.977 20 30 CFEDMN Cn1cc(C=NNc2c(F)cccc2Cl)cn1 ZINC000769829056 627479852 /nfs/dbraw/zinc/47/98/52/627479852.db2.gz NDJHZOBUJJLXSB-UHFFFAOYSA-N 0 1 252.680 2.659 20 30 CFEDMN N#C[C@H]1CC[C@@H]([NH2+]Cc2cc(Br)ccc2[O-])C1 ZINC000769945169 627489899 /nfs/dbraw/zinc/48/98/99/627489899.db2.gz QZTPCLULCYEWJU-JOYOIKCWSA-N 0 1 295.180 2.937 20 30 CFEDMN COCCc1nc(C)c(C(C)=NNc2ccccn2)s1 ZINC000770596356 627533179 /nfs/dbraw/zinc/53/31/79/627533179.db2.gz FUFFGNKQXSRKLS-UHFFFAOYSA-N 0 1 290.392 2.872 20 30 CFEDMN COCCc1nc(C)c(C(C)=N[N-]c2cccc[nH+]2)s1 ZINC000770596356 627533181 /nfs/dbraw/zinc/53/31/81/627533181.db2.gz FUFFGNKQXSRKLS-UHFFFAOYSA-N 0 1 290.392 2.872 20 30 CFEDMN CCCCCCCC(=O)N1CCN(C)[C@H](C)[C@@H]1C ZINC000771409314 627602643 /nfs/dbraw/zinc/60/26/43/627602643.db2.gz XYEBVHCOLNVICB-KGLIPLIRSA-N 0 1 254.418 2.898 20 30 CFEDMN C[C@@H](O)c1ncc(C=NNc2cnc3ccccc3n2)s1 ZINC000773055722 627775619 /nfs/dbraw/zinc/77/56/19/627775619.db2.gz QXRNOMHTUIRULO-SECBINFHSA-N 0 1 299.359 2.586 20 30 CFEDMN COc1ccc(CN[C@@H](C)c2cncs2)cc1C#N ZINC000773084490 627781030 /nfs/dbraw/zinc/78/10/30/627781030.db2.gz SODXGUIMJAPOFH-JTQLQIEISA-N 0 1 273.361 2.874 20 30 CFEDMN CN(Cc1cc(C(C)(C)C)[nH]n1)C(=O)C#Cc1ccccc1 ZINC000773124725 627785908 /nfs/dbraw/zinc/78/59/08/627785908.db2.gz KDUDQOQHNAEMMU-UHFFFAOYSA-N 0 1 295.386 2.717 20 30 CFEDMN C=C(CC)CN1CCN(Cc2ccc(Cl)nc2)CC1 ZINC000773427858 627817472 /nfs/dbraw/zinc/81/74/72/627817472.db2.gz RNERPAPSSHPSBW-UHFFFAOYSA-N 0 1 279.815 2.819 20 30 CFEDMN Cc1cc(C(C#N)C(=O)[C@H]2C[C@H]2C(C)C)nc(C)n1 ZINC000773972881 627874904 /nfs/dbraw/zinc/87/49/04/627874904.db2.gz QNMAUFXOMZRAPF-AVGNSLFASA-N 0 1 257.337 2.562 20 30 CFEDMN C[C@@H](CC(C)(C)C)C(=O)C(C#N)C(=O)Nc1ccccn1 ZINC000773989129 627876913 /nfs/dbraw/zinc/87/69/13/627876913.db2.gz ZZMZVRKYNZYCCA-NWDGAFQWSA-N 0 1 287.363 2.801 20 30 CFEDMN N#C[C@@H]1CCC[C@H](NCC(=O)Nc2ccc(F)c(F)c2)C1 ZINC000774118762 627890294 /nfs/dbraw/zinc/89/02/94/627890294.db2.gz NDIVKUROWAYXEW-MNOVXSKESA-N 0 1 293.317 2.575 20 30 CFEDMN C=CC[C@@H](N[C@@H](C)c1ccnn1C)c1ccncc1 ZINC000774194687 627901065 /nfs/dbraw/zinc/90/10/65/627901065.db2.gz YQCGSHHDQYQOBU-GXTWGEPZSA-N 0 1 256.353 2.783 20 30 CFEDMN C[C@H](NCC(=O)Nc1ccc(O)cc1)c1cccc(C#N)c1 ZINC000775338627 628011396 /nfs/dbraw/zinc/01/13/96/628011396.db2.gz QZQRBBLAFVFBBB-LBPRGKRZSA-N 0 1 295.342 2.553 20 30 CFEDMN C#C[C@H](NCc1cccc(OCC=C)c1)[C@H]1CCCO1 ZINC000775341155 628011668 /nfs/dbraw/zinc/01/16/68/628011668.db2.gz KHNKDJINMCHYIV-DLBZAZTESA-N 0 1 271.360 2.522 20 30 CFEDMN C#C[C@H](NCc1ccc(OC)c(Cl)c1)[C@H]1CCCO1 ZINC000775341672 628012449 /nfs/dbraw/zinc/01/24/49/628012449.db2.gz MXAVCYRCQVXPRU-DZGCQCFKSA-N 0 1 279.767 2.619 20 30 CFEDMN C#C[C@@H](NCc1cccc(OCCCC#N)c1)[C@@H]1CCCO1 ZINC000775343699 628012670 /nfs/dbraw/zinc/01/26/70/628012670.db2.gz XJENYSICUQHIPS-MSOLQXFVSA-N 0 1 298.386 2.640 20 30 CFEDMN C#C[C@@H](NCc1ccc(Cl)c(F)c1)[C@@H]1CCCO1 ZINC000775342396 628012710 /nfs/dbraw/zinc/01/27/10/628012710.db2.gz QTRFXLAGDRAMOH-KGLIPLIRSA-N 0 1 267.731 2.750 20 30 CFEDMN C#C[C@H](NCc1cccc(C(F)(F)F)c1)[C@@H]1CCCO1 ZINC000775343005 628012879 /nfs/dbraw/zinc/01/28/79/628012879.db2.gz UQBYMSIUXOLSMP-KBPBESRZSA-N 0 1 283.293 2.976 20 30 CFEDMN C#CC[C@@H](NCc1ccc(OC)nc1)c1ccccc1 ZINC000775398818 628020646 /nfs/dbraw/zinc/02/06/46/628020646.db2.gz BUHJBUBTKRDILI-MRXNPFEDSA-N 0 1 266.344 2.944 20 30 CFEDMN C#C[C@H](N[C@@H]1CCc2cc(F)ccc21)[C@@H]1CCCO1 ZINC000775571319 628039732 /nfs/dbraw/zinc/03/97/32/628039732.db2.gz FKFMNVWIIPERHH-XHSDSOJGSA-N 0 1 259.324 2.583 20 30 CFEDMN C#C[C@H](N[C@@H]1CCc2ccc(F)cc21)[C@H]1CCCO1 ZINC000775571348 628039831 /nfs/dbraw/zinc/03/98/31/628039831.db2.gz FZIYYBJSLWTFSK-ARFHVFGLSA-N 0 1 259.324 2.583 20 30 CFEDMN C#C[C@H](N[C@@H]1CCCc2nc(C)sc21)[C@H]1CCCO1 ZINC000775573477 628041178 /nfs/dbraw/zinc/04/11/78/628041178.db2.gz ZBGVTKOWXNNTND-IACUBPJLSA-N 0 1 276.405 2.599 20 30 CFEDMN C#C[C@H](N[C@H](C)c1sc(CC)nc1C)[C@@H]1CCCO1 ZINC000775573961 628041526 /nfs/dbraw/zinc/04/15/26/628041526.db2.gz MADZOXKYMCTSRU-WXHSDQCUSA-N 0 1 278.421 2.845 20 30 CFEDMN C#C[C@H](N[C@H]1CCCc2cc(C#N)ccc21)[C@@H]1CCCO1 ZINC000775574059 628041564 /nfs/dbraw/zinc/04/15/64/628041564.db2.gz NJPKGPGPJKQVPJ-BZSNNMDCSA-N 0 1 280.371 2.706 20 30 CFEDMN C#C[C@H](N[C@@H]1CCCc2ccc(OC)cc21)[C@H]1CCCO1 ZINC000775573238 628041616 /nfs/dbraw/zinc/04/16/16/628041616.db2.gz XTQPUMKCSXZQED-RCCFBDPRSA-N 0 1 285.387 2.843 20 30 CFEDMN C#C[C@H](N[C@H](C)c1ccc(F)cc1N(C)C)[C@@H]1CCCO1 ZINC000775573427 628041639 /nfs/dbraw/zinc/04/16/39/628041639.db2.gz YLBVKYYITUKSBS-PVUWLOKVSA-N 0 1 290.382 2.723 20 30 CFEDMN C#C[C@H](N[C@H]1CCSc2ccccc21)[C@H]1CCCO1 ZINC000775573659 628041671 /nfs/dbraw/zinc/04/16/71/628041671.db2.gz IMQAHLJPAKOIOX-SOUVJXGZSA-N 0 1 273.401 2.994 20 30 CFEDMN C#C[C@H](N[C@@H]1CCCc2cc(C#N)ccc21)[C@@H]1CCCO1 ZINC000775574060 628041727 /nfs/dbraw/zinc/04/17/27/628041727.db2.gz NJPKGPGPJKQVPJ-KSZLIROESA-N 0 1 280.371 2.706 20 30 CFEDMN C#C[C@H](N[C@H](C)c1ccc(F)cc1N(C)C)[C@H]1CCCO1 ZINC000775573423 628041772 /nfs/dbraw/zinc/04/17/72/628041772.db2.gz YLBVKYYITUKSBS-ISTRZQFTSA-N 0 1 290.382 2.723 20 30 CFEDMN C#C[C@H]([NH2+][C@H](C)c1cc(Cl)ccc1[O-])[C@H]1CCCO1 ZINC000775574842 628042119 /nfs/dbraw/zinc/04/21/19/628042119.db2.gz SKJDVRGKABGXLI-RIEGTJTDSA-N 0 1 279.767 2.877 20 30 CFEDMN C#C[C@H](N[C@@H](C)c1cccc(OCC)c1)[C@H]1CCCO1 ZINC000775575870 628042740 /nfs/dbraw/zinc/04/27/40/628042740.db2.gz ZWHSHMHQNJOEIE-RRQGHBQHSA-N 0 1 273.376 2.917 20 30 CFEDMN CN(Cc1ccc(C(C)(C)C#N)cc1)[C@@H]1CCCCNC1=O ZINC000775593241 628044289 /nfs/dbraw/zinc/04/42/89/628044289.db2.gz BNWHISMGEINOQE-MRXNPFEDSA-N 0 1 299.418 2.588 20 30 CFEDMN C=C(C)CCN1CCN(C(=O)OC(C)(C)C)C[C@@H]1C ZINC000775600805 628044844 /nfs/dbraw/zinc/04/48/44/628044844.db2.gz KDPCATPQYYKASZ-ZDUSSCGKSA-N 0 1 268.401 2.894 20 30 CFEDMN CCCCC[C@@H](CC)C(=O)NC1(C#N)CCN(C)CC1 ZINC000775725320 628059425 /nfs/dbraw/zinc/05/94/25/628059425.db2.gz LBBZFNOVSBSMFY-CQSZACIVSA-N 0 1 279.428 2.697 20 30 CFEDMN C=CCCC[C@H](C)NC(=O)NCc1cc(CC)[nH]n1 ZINC000775746802 628061880 /nfs/dbraw/zinc/06/18/80/628061880.db2.gz PRZOLKIKMMFFID-NSHDSACASA-N 0 1 264.373 2.516 20 30 CFEDMN C#C[C@@H](NCCOc1cccc2ccccc21)[C@@H]1CCCO1 ZINC000775790542 628067784 /nfs/dbraw/zinc/06/77/84/628067784.db2.gz PZHUJVDQFKCAQG-MJGOQNOKSA-N 0 1 295.382 2.989 20 30 CFEDMN C#C[C@@H](NCc1cc(F)cc2cccnc21)[C@@H]1CCCO1 ZINC000775794610 628069628 /nfs/dbraw/zinc/06/96/28/628069628.db2.gz JJPSEWBKFQEQQC-CVEARBPZSA-N 0 1 284.334 2.644 20 30 CFEDMN C[C@H](NN=Cc1cnccc1N(C)C)c1ccccc1 ZINC000776179629 628113075 /nfs/dbraw/zinc/11/30/75/628113075.db2.gz BYUVAKRVZFPZJF-ZDUSSCGKSA-N 0 1 268.364 2.832 20 30 CFEDMN COC(=O)c1ccccc1NN=C(C)c1ccc[nH]1 ZINC000776189712 628114571 /nfs/dbraw/zinc/11/45/71/628114571.db2.gz PMJKMWWTFSDXCY-UHFFFAOYSA-N 0 1 257.293 2.637 20 30 CFEDMN CC[C@H](C(=O)OCc1ccc(CC#N)cc1)N(CC)CC ZINC000776214555 628117920 /nfs/dbraw/zinc/11/79/20/628117920.db2.gz QPXSEOXZDCQFHA-MRXNPFEDSA-N 0 1 288.391 2.916 20 30 CFEDMN CC(=NNC1=N[C@H]2CCCC[C@@H]2N1)c1cccc(F)c1F ZINC000776259281 628122572 /nfs/dbraw/zinc/12/25/72/628122572.db2.gz HSGVJWIMCFRPLM-STQMWFEESA-N 0 1 292.333 2.549 20 30 CFEDMN CC(C)[C@H](C(=O)OCCC(C)(C)C#N)N1CCCC1 ZINC000776385898 628140837 /nfs/dbraw/zinc/14/08/37/628140837.db2.gz IDKGCRWRCBGZLQ-CYBMUJFWSA-N 0 1 266.385 2.590 20 30 CFEDMN Cc1cc(C(C#N)C(=O)[C@H]2CC[C@H](C)C2)nc(C)n1 ZINC000776516839 628155629 /nfs/dbraw/zinc/15/56/29/628155629.db2.gz OADSGEXYIIWWHK-XDTLVQLUSA-N 0 1 257.337 2.706 20 30 CFEDMN O=[N+]([O-])c1ccc(O)cc1C=NOCCC(F)(F)F ZINC000777459098 628228025 /nfs/dbraw/zinc/22/80/25/628228025.db2.gz GYJZPACUEUFKDV-UHFFFAOYSA-N 0 1 278.186 2.603 20 30 CFEDMN C#CCCN1CCN(Cc2ncc(Cl)cc2Cl)CC1 ZINC000777712455 628247571 /nfs/dbraw/zinc/24/75/71/628247571.db2.gz BEGCRUVTCTVZSP-UHFFFAOYSA-N 0 1 298.217 2.529 20 30 CFEDMN C[C@H]1CN(C2CC2)CC1N=Nc1cc(Cl)ccn1 ZINC000777906063 628263912 /nfs/dbraw/zinc/26/39/12/628263912.db2.gz RWBWITKLYSZQQA-VIFPVBQESA-N 0 1 264.760 2.617 20 30 CFEDMN COc1ccc2nc(NN=Cc3ncc[nH]3)c(C)cc2c1 ZINC000777912821 628264505 /nfs/dbraw/zinc/26/45/05/628264505.db2.gz FFNNHEVBTQDMLB-UHFFFAOYSA-N 0 1 281.319 2.721 20 30 CFEDMN C#CCOc1cccc(Cl)c1CN[C@@H](C)C[C@H](C)O ZINC000778176157 628284229 /nfs/dbraw/zinc/28/42/29/628284229.db2.gz AJDSBFUXGROZDY-RYUDHWBXSA-N 0 1 281.783 2.601 20 30 CFEDMN C#C[C@](C)(CC)NCC(=O)Nc1sc(C)c(C)c1C#N ZINC000852102087 634656961 /nfs/dbraw/zinc/65/69/61/634656961.db2.gz VNLMSMAXVSZDIE-OAHLLOKOSA-N 0 1 289.404 2.567 20 30 CFEDMN C#C[C@](C)(CC)N[C@H](C)C(=O)N1CCCc2ccccc21 ZINC000852098285 634652037 /nfs/dbraw/zinc/65/20/37/634652037.db2.gz IXTYXCSEHIPQOF-RDTXWAMCSA-N 0 1 284.403 2.746 20 30 CFEDMN C#C[C@](C)(CC)N[C@@H](C)C(=O)N1c2ccccc2C[C@@H]1C ZINC000852098541 634652067 /nfs/dbraw/zinc/65/20/67/634652067.db2.gz PVEANTCECAXUNH-SUNYJGFJSA-N 0 1 284.403 2.744 20 30 CFEDMN FC(F)(F)CCN1CCC(N=NC2CCCC2)CC1 ZINC000779773646 628401617 /nfs/dbraw/zinc/40/16/17/628401617.db2.gz LXFYDNKFRRZDNH-UHFFFAOYSA-N 0 1 277.334 2.923 20 30 CFEDMN Cc1cc(CN=Nc2ccnc(N(C)C)n2)ccc1Cl ZINC000779772245 628401769 /nfs/dbraw/zinc/40/17/69/628401769.db2.gz NTPVXBYEFNLPAN-UHFFFAOYSA-N 0 1 289.770 2.950 20 30 CFEDMN C#C[C@@](C)(CC)NCC(=O)Nc1ccc(OC)c(Cl)c1 ZINC000852102177 634657024 /nfs/dbraw/zinc/65/70/24/634657024.db2.gz VXVPIVIVRWVMOQ-HNNXBMFYSA-N 0 1 294.782 2.679 20 30 CFEDMN FC(F)(F)CCN1CCC(=NO[C@H]2CCCCO2)CC1 ZINC000779783129 628403415 /nfs/dbraw/zinc/40/34/15/628403415.db2.gz LDRXGZUJMVIVAT-LBPRGKRZSA-N 0 1 294.317 2.934 20 30 CFEDMN C#C[C@](C)(CC)N[C@H](C)C(=O)Nc1ccc(F)cc1F ZINC000852098970 634653050 /nfs/dbraw/zinc/65/30/50/634653050.db2.gz AFXNDWKYGQGQGI-MEBBXXQBSA-N 0 1 280.318 2.683 20 30 CFEDMN C#C[C@](C)(CC)N[C@@H](CC)C(=O)Nc1ccc(OC)cc1 ZINC000852099195 634653185 /nfs/dbraw/zinc/65/31/85/634653185.db2.gz GQHDDLFGYRXKNX-DOTOQJQBSA-N 0 1 288.391 2.804 20 30 CFEDMN CC(=NNC1=NC[C@@H](C)N1)c1ccc(SC(C)C)cc1 ZINC000779794233 628407191 /nfs/dbraw/zinc/40/71/91/628407191.db2.gz FJUDOHOVLGNDPI-LLVKDONJSA-N 0 1 290.436 2.848 20 30 CFEDMN CCCCc1ccc(C(C)=NNC2=NC[C@H](C)N2)cc1 ZINC000779803789 628408243 /nfs/dbraw/zinc/40/82/43/628408243.db2.gz VJMGDKYTTSLNGG-LBPRGKRZSA-N 0 1 272.396 2.691 20 30 CFEDMN C#C[C@@](C)(CC)N[C@H](C)C(=O)Nc1cc(F)ccc1C ZINC000852099598 634654511 /nfs/dbraw/zinc/65/45/11/634654511.db2.gz NGQVIICYQBGSOI-WBMJQRKESA-N 0 1 276.355 2.853 20 30 CFEDMN C#C[C@@](C)(CC)N[C@@H](C)C(=O)Nc1ccc(F)c(F)c1 ZINC000852099568 634654700 /nfs/dbraw/zinc/65/47/00/634654700.db2.gz MSGIURUTADKSMH-BONVTDFDSA-N 0 1 280.318 2.683 20 30 CFEDMN C#C[C@](C)(CC)NCC(=O)Nc1cc(Cl)ccc1F ZINC000852100597 634655242 /nfs/dbraw/zinc/65/52/42/634655242.db2.gz IMJBZBXXZQNZCU-CQSZACIVSA-N 0 1 282.746 2.809 20 30 CFEDMN C#C[C@](C)(CC)NCC(=O)Nc1ccc(C)c(C)c1 ZINC000852101042 634655762 /nfs/dbraw/zinc/65/57/62/634655762.db2.gz MXNGUEXZZCLRKO-MRXNPFEDSA-N 0 1 258.365 2.633 20 30 CFEDMN COc1ccc(CN=Nc2cc(Cl)ccn2)cn1 ZINC000780242509 628443615 /nfs/dbraw/zinc/44/36/15/628443615.db2.gz FIAZEKUAQSBITK-UHFFFAOYSA-N 0 1 262.700 2.585 20 30 CFEDMN C#C[C@@](C)(CC)NCC(=O)Nc1ccc(F)c(Cl)c1 ZINC000852100650 634655875 /nfs/dbraw/zinc/65/58/75/634655875.db2.gz IXUDOFRIDGRLDG-AWEZNQCLSA-N 0 1 282.746 2.809 20 30 CFEDMN COc1ccc(N=NC(C)c2ccc(F)cc2O)nc1 ZINC000780268059 628448475 /nfs/dbraw/zinc/44/84/75/628448475.db2.gz CTSNKKYTCMZHJC-UHFFFAOYSA-N 0 1 275.283 2.771 20 30 CFEDMN COc1ccc(NN=C2CCc3cc(O)ccc32)nc1 ZINC000780268823 628448582 /nfs/dbraw/zinc/44/85/82/628448582.db2.gz WLGNBMSNQAMYBL-UHFFFAOYSA-N 0 1 269.304 2.558 20 30 CFEDMN COc1ccc(NN=C2CCc3cc(F)ccc32)nc1 ZINC000780270196 628448726 /nfs/dbraw/zinc/44/87/26/628448726.db2.gz DPCWELBVMHTUCN-UHFFFAOYSA-N 0 1 271.295 2.992 20 30 CFEDMN C#C[C@](C)(CC)NCC(=O)Nc1ccc(Cl)cc1C ZINC000852102011 634656184 /nfs/dbraw/zinc/65/61/84/634656184.db2.gz JJVLQTGNOPLJIA-OAHLLOKOSA-N 0 1 278.783 2.978 20 30 CFEDMN COc1ccc(N=NC(C)c2cc(OC)ccc2O)nc1 ZINC000780275662 628449725 /nfs/dbraw/zinc/44/97/25/628449725.db2.gz CLKASSIOGRDIBE-UHFFFAOYSA-N 0 1 287.319 2.641 20 30 CFEDMN CCc1noc(C)c1C(C)=NNc1ncncc1Cl ZINC000780275010 628449778 /nfs/dbraw/zinc/44/97/78/628449778.db2.gz IFDCMQSXWMJUEP-UHFFFAOYSA-N 0 1 279.731 2.825 20 30 CFEDMN CCc1noc(C)c1C(C)=NN=c1nc[nH]cc1Cl ZINC000780275010 628449780 /nfs/dbraw/zinc/44/97/80/628449780.db2.gz IFDCMQSXWMJUEP-UHFFFAOYSA-N 0 1 279.731 2.825 20 30 CFEDMN C#C[C@](C)(CC)NCC(=O)Nc1ccc(C)c(Cl)c1 ZINC000852103001 634657867 /nfs/dbraw/zinc/65/78/67/634657867.db2.gz VOBIWBRRSDZBOO-OAHLLOKOSA-N 0 1 278.783 2.978 20 30 CFEDMN C#C[C@](C)(CC)NCc1cc(C(=O)OC)oc1CC ZINC000852102871 634658034 /nfs/dbraw/zinc/65/80/34/634658034.db2.gz RWEBFJPKBBQNCN-OAHLLOKOSA-N 0 1 263.337 2.520 20 30 CFEDMN N#Cc1ccc(CNCC2=Cc3ccccc3OC2)nc1 ZINC000780555009 628475355 /nfs/dbraw/zinc/47/53/55/628475355.db2.gz LRJOCUCYNIRJIA-UHFFFAOYSA-N 0 1 277.327 2.519 20 30 CFEDMN Cc1cccc(CNCc2ccc(C#N)cn2)c1C ZINC000780558281 628476455 /nfs/dbraw/zinc/47/64/55/628476455.db2.gz NSZHWUVCECMVCW-UHFFFAOYSA-N 0 1 251.333 2.860 20 30 CFEDMN C#CCCCCCC(=O)N[C@@H](C)c1n[nH]c(C(C)C)n1 ZINC000780684487 628487763 /nfs/dbraw/zinc/48/77/63/628487763.db2.gz OUEHIISHEJUGBH-LBPRGKRZSA-N 0 1 276.384 2.689 20 30 CFEDMN C#CCCN1CCN(Cc2ccccc2SC)CC1 ZINC000781337220 628541014 /nfs/dbraw/zinc/54/10/14/628541014.db2.gz ALKPXEYWGPIISI-UHFFFAOYSA-N 0 1 274.433 2.549 20 30 CFEDMN Cc1cc(C)cc(-n2ncc(CNCCCCC#N)n2)c1 ZINC000781414500 628546932 /nfs/dbraw/zinc/54/69/32/628546932.db2.gz JQCAMBMNOKGASK-UHFFFAOYSA-N 0 1 283.379 2.668 20 30 CFEDMN Cn1c2ccccc2nc1C(C#N)C(=O)[C@]1(C)CCCOC1 ZINC000781450140 628549560 /nfs/dbraw/zinc/54/95/60/628549560.db2.gz QNPUCBBZHOTLKK-SJKOYZFVSA-N 0 1 297.358 2.566 20 30 CFEDMN C#CCOc1ccccc1CN1CCC[C@H](OC(F)F)C1 ZINC000781532396 628557263 /nfs/dbraw/zinc/55/72/63/628557263.db2.gz PWGRTEXTCNWOMK-AWEZNQCLSA-N 0 1 295.329 2.902 20 30 CFEDMN C#CC[C@@H](NCc1ccc(C(=O)OC)[nH]1)c1ccccc1 ZINC000781918083 628590917 /nfs/dbraw/zinc/59/09/17/628590917.db2.gz LZAKHSFQYORTKG-OAHLLOKOSA-N 0 1 282.343 2.656 20 30 CFEDMN CN(C)c1cc(CN(C)Cc2cccc(C#N)c2)ccn1 ZINC000782174881 628609727 /nfs/dbraw/zinc/60/97/27/628609727.db2.gz NJBIZSMACMJDOD-UHFFFAOYSA-N 0 1 280.375 2.651 20 30 CFEDMN CO[C@H](C(C)=NNCCN1CCCCC1)c1ccccc1 ZINC000782203142 628614224 /nfs/dbraw/zinc/61/42/24/628614224.db2.gz NBBZHADBYZTTFL-QGZVFWFLSA-N 0 1 289.423 2.826 20 30 CFEDMN CC1(C)CCC[C@H]1NN=Cc1cnc(N2CCCC2)nc1 ZINC000782286286 628624178 /nfs/dbraw/zinc/62/41/78/628624178.db2.gz FRKQSIMPKKCUTI-CQSZACIVSA-N 0 1 287.411 2.579 20 30 CFEDMN C[C@@H](NCc1ccc(C#N)cn1)c1ccccc1N(C)C ZINC000783294346 628698163 /nfs/dbraw/zinc/69/81/63/628698163.db2.gz OCZJZLZYVDLMKY-CYBMUJFWSA-N 0 1 280.375 2.870 20 30 CFEDMN CC(=O)Nc1ccc([C@H](C)NCc2ccc(C#N)cn2)cc1 ZINC000783301567 628698745 /nfs/dbraw/zinc/69/87/45/628698745.db2.gz YPGGXVIORDRYPU-LBPRGKRZSA-N 0 1 294.358 2.762 20 30 CFEDMN C#CC[C@@H](OC(=O)[C@@]1(F)CCN(C(C)(C)C)C1)C(C)C ZINC000810605307 628711791 /nfs/dbraw/zinc/71/17/91/628711791.db2.gz HCQDNEJGALZQJF-CZUORRHYSA-N 0 1 283.387 2.790 20 30 CFEDMN C=CCS(=O)(=O)CCN[C@H](C)c1cc2ccccc2o1 ZINC000783536436 628718930 /nfs/dbraw/zinc/71/89/30/628718930.db2.gz NEJFHGZAYLJJLB-GFCCVEGCSA-N 0 1 293.388 2.684 20 30 CFEDMN C#CCOc1ccc(CN2C[C@H](C)O[C@@H](C)[C@H]2C)cc1 ZINC000783737565 628739939 /nfs/dbraw/zinc/73/99/39/628739939.db2.gz NOKWRTWUKJYOBM-ZNMIVQPWSA-N 0 1 273.376 2.696 20 30 CFEDMN C#CCOCCN1CCc2oc(-c3ccccc3)cc2C1 ZINC000852208236 634688789 /nfs/dbraw/zinc/68/87/89/634688789.db2.gz CMOBMDKKPJFGIR-UHFFFAOYSA-N 0 1 281.355 2.955 20 30 CFEDMN CN(CCOC(=O)CC(C)(C)C#N)Cc1ccc(F)cc1 ZINC000785106324 628867019 /nfs/dbraw/zinc/86/70/19/628867019.db2.gz DSFOWPAYWRCDKL-UHFFFAOYSA-N 0 1 292.354 2.741 20 30 CFEDMN C#C[C@H](NCc1ccc2cnccc2c1)[C@H]1CCCO1 ZINC000785513121 628890402 /nfs/dbraw/zinc/89/04/02/628890402.db2.gz GLLZDZYQKICTIA-DLBZAZTESA-N 0 1 266.344 2.505 20 30 CFEDMN C=CCCCCCN1CCN(C2=NC[C@H](C)S2)CC1 ZINC000785756791 628910926 /nfs/dbraw/zinc/91/09/26/628910926.db2.gz NDHATCPASHFORY-AWEZNQCLSA-N 0 1 281.469 2.842 20 30 CFEDMN C#Cc1cccc(N(C)C(=O)c2ccc3cncn3c2)c1 ZINC000786083914 628935077 /nfs/dbraw/zinc/93/50/77/628935077.db2.gz WSURTVWNVCSFFW-UHFFFAOYSA-N 0 1 275.311 2.592 20 30 CFEDMN C#CC[C@H](NC(=O)c1ccc2cncn2c1)c1ccccc1 ZINC000786456738 628958167 /nfs/dbraw/zinc/95/81/67/628958167.db2.gz BMXBBDGKOSHLBP-KRWDZBQOSA-N 0 1 289.338 2.829 20 30 CFEDMN Cc1cccc(CNC(=O)C(C#N)C(=O)[C@H](C)C(C)C)c1 ZINC000786542706 628967881 /nfs/dbraw/zinc/96/78/81/628967881.db2.gz VGTFHXIYAAOWTF-UKRRQHHQSA-N 0 1 286.375 2.612 20 30 CFEDMN N#CCCCCCC(=O)C(C#N)C(=O)Nc1ccccc1 ZINC000805854527 629038108 /nfs/dbraw/zinc/03/81/08/629038108.db2.gz WZJKOQCXCDAZCN-AWEZNQCLSA-N 0 1 283.331 2.808 20 30 CFEDMN CC(C)[C@@H](C(=O)OCC#Cc1ccc(Cl)cc1)N(C)C ZINC000787961613 629044067 /nfs/dbraw/zinc/04/40/67/629044067.db2.gz MMZSCVJXTGTMJR-HNNXBMFYSA-N 0 1 293.794 2.821 20 30 CFEDMN NC(=O)c1ccccc1C=NNc1nccc2sccc21 ZINC000788714352 629094478 /nfs/dbraw/zinc/09/44/78/629094478.db2.gz GRGMGEWCZGCRAP-UHFFFAOYSA-N 0 1 296.355 2.841 20 30 CFEDMN CN(Cc1cnc[nH]1)Cc1cc(Cl)ccc1OCC#N ZINC000852286246 634709513 /nfs/dbraw/zinc/70/95/13/634709513.db2.gz ASCCOZKILUYGRK-UHFFFAOYSA-N 0 1 290.754 2.597 20 30 CFEDMN Cc1cc(CN=Nc2ccc3c(cc[nH]c3=O)c2)c(C)[nH]1 ZINC000789074310 629123638 /nfs/dbraw/zinc/12/36/38/629123638.db2.gz ZRWGQQSIOVLTRI-UHFFFAOYSA-N 0 1 280.331 2.919 20 30 CFEDMN Oc1c(Cl)cccc1C=NNCCc1ccncc1 ZINC000789098363 629126782 /nfs/dbraw/zinc/12/67/82/629126782.db2.gz WFPYZKVNHWQQOP-UHFFFAOYSA-N 0 1 275.739 2.607 20 30 CFEDMN C#CCN(CC#CC)CC[C@H](C)OCc1ccccc1 ZINC000789321790 629147812 /nfs/dbraw/zinc/14/78/12/629147812.db2.gz KSUDMLHUILVQLA-KRWDZBQOSA-N 0 1 269.388 2.940 20 30 CFEDMN CC[C@H](C)N(CC)Cc1nc2ccccc2c(=O)n1CC#N ZINC000852292648 634712034 /nfs/dbraw/zinc/71/20/34/634712034.db2.gz FSLZPEWDLSLNIR-ZDUSSCGKSA-N 0 1 298.390 2.540 20 30 CFEDMN CC(C)[C@H](C(=O)O[C@H](C)c1ccc(C#N)cc1)N(C)C ZINC000789803884 629189186 /nfs/dbraw/zinc/18/91/86/629189186.db2.gz YWKDGVURGSQOEN-IUODEOHRSA-N 0 1 274.364 2.749 20 30 CFEDMN Cc1cccnc1N=NC1CCN(Cc2ccccn2)CC1 ZINC000790184990 629216780 /nfs/dbraw/zinc/21/67/80/629216780.db2.gz FADDEOXNAZCCHB-UHFFFAOYSA-N 0 1 295.390 2.849 20 30 CFEDMN COc1ccc(O)cc1C(C)=NNc1ncccc1C ZINC000790187123 629217542 /nfs/dbraw/zinc/21/75/42/629217542.db2.gz SJAMUVRKLJAQBO-UHFFFAOYSA-N 0 1 271.320 2.940 20 30 CFEDMN Fc1ccc(N=NCc2ccnn2-c2ccccc2)nc1 ZINC000790295662 629226244 /nfs/dbraw/zinc/22/62/44/629226244.db2.gz MYUPIKSPVLVWEJ-UHFFFAOYSA-N 0 1 281.294 2.852 20 30 CFEDMN Cn1ccnc1NN=Cc1c(F)cccc1Cl ZINC000790300635 629227504 /nfs/dbraw/zinc/22/75/04/629227504.db2.gz XEEPXMQQFPVCIG-UHFFFAOYSA-N 0 1 252.680 2.659 20 30 CFEDMN Cn1ccnc1NN=C(C[C@@H]1CCOC1)c1ccccc1 ZINC000790299979 629227510 /nfs/dbraw/zinc/22/75/10/629227510.db2.gz NLTISKINNXGEJJ-ZDUSSCGKSA-N 0 1 284.363 2.663 20 30 CFEDMN Cn1ccnc1NN=C1CSCCc2ccccc21 ZINC000790300313 629227632 /nfs/dbraw/zinc/22/76/32/629227632.db2.gz ROJVIEJPCGXMTD-UHFFFAOYSA-N 0 1 272.377 2.526 20 30 CFEDMN Cn1cc[nH+]c1[N-]N=C1CSCCc2ccccc21 ZINC000790300313 629227634 /nfs/dbraw/zinc/22/76/34/629227634.db2.gz ROJVIEJPCGXMTD-UHFFFAOYSA-N 0 1 272.377 2.526 20 30 CFEDMN Cc1cccc(CN=Nc2nccn2C)c1OC(F)F ZINC000790302677 629228464 /nfs/dbraw/zinc/22/84/64/629228464.db2.gz WVQAOLVLQJTQKM-UHFFFAOYSA-N 0 1 280.278 2.776 20 30 CFEDMN Cc1cccc(C=N[N-]c2[nH+]ccn2C)c1OC(F)F ZINC000790302677 629228467 /nfs/dbraw/zinc/22/84/67/629228467.db2.gz WVQAOLVLQJTQKM-UHFFFAOYSA-N 0 1 280.278 2.776 20 30 CFEDMN Cn1ccnc1NN=Cc1cc(Br)cs1 ZINC000790302552 629228541 /nfs/dbraw/zinc/22/85/41/629228541.db2.gz UUSOTZFVUDGGCS-UHFFFAOYSA-N 0 1 285.170 2.690 20 30 CFEDMN Cc1cc(-n2c(C)cc(C=NNc3nccn3C)c2C)no1 ZINC000790300830 629228556 /nfs/dbraw/zinc/22/85/56/629228556.db2.gz AAGDDMZWIYDOKL-UHFFFAOYSA-N 0 1 298.350 2.570 20 30 CFEDMN O=[N+]([O-])c1c(F)cccc1NN=Cc1cnn2ccccc12 ZINC000790307599 629230427 /nfs/dbraw/zinc/23/04/27/629230427.db2.gz ZHKHVGLGMGNOCS-UHFFFAOYSA-N 0 1 299.265 2.828 20 30 CFEDMN C[C@@H]1CN(C2CC2)CC1N=Nc1cccc(F)c1[N+](=O)[O-] ZINC000790311305 629230744 /nfs/dbraw/zinc/23/07/44/629230744.db2.gz ZOWXYZGDKSBXAF-SECBINFHSA-N 0 1 292.314 2.616 20 30 CFEDMN C#C[C@H](NCc1ccc(OCC2CC2)cc1)[C@@H]1CCCO1 ZINC000790991980 629278635 /nfs/dbraw/zinc/27/86/35/629278635.db2.gz SIBSEVBITYKSIM-ROUUACIJSA-N 0 1 285.387 2.746 20 30 CFEDMN N#C[C@]1(c2ccccn2)CCCN(CC2CC=CC2)C1 ZINC000852332912 634725309 /nfs/dbraw/zinc/72/53/09/634725309.db2.gz XADKQEXIPWPAND-QGZVFWFLSA-N 0 1 267.376 2.905 20 30 CFEDMN N#CC(C(=O)CSC(F)F)c1nc2ccccc2[nH]1 ZINC000835037052 629331945 /nfs/dbraw/zinc/33/19/45/629331945.db2.gz OOOGKHARARADCH-ZETCQYMHSA-N 0 1 281.287 2.695 20 30 CFEDMN C#C[C@H](CCC)NC(=O)[C@H]1CCCCN1Cc1ccccc1 ZINC000791741187 629350875 /nfs/dbraw/zinc/35/08/75/629350875.db2.gz KPNDQWKJRIXRNM-QZTJIDSGSA-N 0 1 298.430 2.959 20 30 CFEDMN C#C[C@@H](CCC)NC(=O)[C@@H]1CCCN1Cc1ccccc1 ZINC000791744971 629351434 /nfs/dbraw/zinc/35/14/34/629351434.db2.gz JGDXJPVODMCGSC-IRXDYDNUSA-N 0 1 284.403 2.569 20 30 CFEDMN N#CC(C(=O)Nc1ccccc1Cl)C(=O)[C@@H]1CC1(F)F ZINC000835063142 629367424 /nfs/dbraw/zinc/36/74/24/629367424.db2.gz VEJYJHMSBUBQGG-SFYZADRCSA-N 0 1 298.676 2.643 20 30 CFEDMN CC(C)CCCC(=O)C(C#N)C(=O)NC1CCCCC1 ZINC000835063903 629367564 /nfs/dbraw/zinc/36/75/64/629367564.db2.gz RWLNQROWNRODKA-CQSZACIVSA-N 0 1 278.396 2.970 20 30 CFEDMN CCC[C@@H]1CCC[C@@H]1C(=O)C(C#N)C(=O)Nc1ccccn1 ZINC000835076494 629374867 /nfs/dbraw/zinc/37/48/67/629374867.db2.gz JQOARJHBCHXUJI-RDBSUJKOSA-N 0 1 299.374 2.945 20 30 CFEDMN N#C[C@@H](C(=O)[C@H]1CC12CCC2)c1cnc2ccccc2n1 ZINC000792108767 629397742 /nfs/dbraw/zinc/39/77/42/629397742.db2.gz LCSJUXDRJSGGMF-VXGBXAGGSA-N 0 1 277.327 2.996 20 30 CFEDMN N#C[C@@H](C(=O)C1CCSCC1)c1cnc2ccccc2n1 ZINC000792107920 629398196 /nfs/dbraw/zinc/39/81/96/629398196.db2.gz IUQMMJVWBGWFRW-GFCCVEGCSA-N 0 1 297.383 2.949 20 30 CFEDMN C=CCN(Cc1ccc([N+](=O)[O-])c(F)c1)[C@@H](C)COC ZINC000852356965 634732780 /nfs/dbraw/zinc/73/27/80/634732780.db2.gz TUJMFKFVLSYXMN-NSHDSACASA-N 0 1 282.315 2.757 20 30 CFEDMN C#CCN(C)Cc1ccc(C)c(Br)c1 ZINC000792305039 629419037 /nfs/dbraw/zinc/41/90/37/629419037.db2.gz CWZUPTFUUGHXLX-UHFFFAOYSA-N 0 1 252.155 2.823 20 30 CFEDMN C#CCCCN1C[C@@H](F)C[C@H]1CN(C)C(=O)OC(C)(C)C ZINC000792916104 629464996 /nfs/dbraw/zinc/46/49/96/629464996.db2.gz RMLHTUAUZCCVEL-KBPBESRZSA-N 0 1 298.402 2.679 20 30 CFEDMN CN(C)c1ccncc1C=NNCC1(C)CCCC1 ZINC000793082424 629485542 /nfs/dbraw/zinc/48/55/42/629485542.db2.gz XVLCSSDXXNDLCK-UHFFFAOYSA-N 0 1 260.385 2.651 20 30 CFEDMN Cc1cccc2nc([C@H](C#N)C(=O)C=C[C@@H]3CCOC3)[nH]c21 ZINC000835173214 629489660 /nfs/dbraw/zinc/48/96/60/629489660.db2.gz PAUOHDCGIPQDJR-FBVTZJDUSA-N 0 1 295.342 2.640 20 30 CFEDMN Oc1ccc2c(c1)OCC2=NNc1cccc(Cl)n1 ZINC000793163121 629495104 /nfs/dbraw/zinc/49/51/04/629495104.db2.gz XPHLPLCYWYPSKE-UHFFFAOYSA-N 0 1 275.695 2.649 20 30 CFEDMN CC[C@@H](C)CON=Cc1ccccc1N1CCOCC1 ZINC000793160897 629495144 /nfs/dbraw/zinc/49/51/44/629495144.db2.gz XIZRFJCWYKQWMX-CQSZACIVSA-N 0 1 276.380 2.920 20 30 CFEDMN C#CC[C@@H](OC(=O)c1ccc2cncn2c1)C(C)(C)C ZINC000793208192 629504763 /nfs/dbraw/zinc/50/47/63/629504763.db2.gz HAENAFCGWNAYBF-CQSZACIVSA-N 0 1 270.332 2.929 20 30 CFEDMN C#CC[C@@H](Cc1ccccc1)OC(=O)[C@@H](C(C)C)N(C)C ZINC000793376344 629533884 /nfs/dbraw/zinc/53/38/84/629533884.db2.gz ZYEQRQZMJMGZTB-DLBZAZTESA-N 0 1 287.403 2.750 20 30 CFEDMN C#CC[C@H](Cc1ccccc1)OC(=O)c1ccc([N+](=O)[O-])[nH]1 ZINC000793378982 629534249 /nfs/dbraw/zinc/53/42/49/629534249.db2.gz OSLCGALRZMPIKH-CYBMUJFWSA-N 0 1 298.298 2.714 20 30 CFEDMN CCN(Cn1cc2c(c(C#N)c1=O)CCCC2)C1CCCC1 ZINC000793486945 629556078 /nfs/dbraw/zinc/55/60/78/629556078.db2.gz QKUGUKIYLUKGCS-UHFFFAOYSA-N 0 1 299.418 2.821 20 30 CFEDMN Oc1ccc(F)c(C=NNc2cncc(Cl)n2)c1F ZINC000794492190 629650616 /nfs/dbraw/zinc/65/06/16/629650616.db2.gz GPBCKJMBAUXTPL-UHFFFAOYSA-N 0 1 284.653 2.560 20 30 CFEDMN CSCCON=Cc1cc(-c2ccccc2)[nH]n1 ZINC000794572883 629662356 /nfs/dbraw/zinc/66/23/56/629662356.db2.gz KIROBRXAKDXLSD-UHFFFAOYSA-N 0 1 261.350 2.790 20 30 CFEDMN CSCCON=C1CCCNc2ccccc21 ZINC000794573068 629662681 /nfs/dbraw/zinc/66/26/81/629662681.db2.gz PGGCXNDTXUNGIX-UHFFFAOYSA-N 0 1 250.367 2.976 20 30 CFEDMN C#CC(C)(C)N(C)Cc1cnc(OC)c(Cl)c1 ZINC000794578696 629663982 /nfs/dbraw/zinc/66/39/82/629663982.db2.gz IFSOZHYHNLSROG-UHFFFAOYSA-N 0 1 252.745 2.587 20 30 CFEDMN FCC[C@H]1CCCC1=NNCCN1CCCCC1 ZINC000794897871 629702017 /nfs/dbraw/zinc/70/20/17/629702017.db2.gz VQHMGDPTPZMCPZ-CYBMUJFWSA-N 0 1 255.381 2.578 20 30 CFEDMN Brc1cscc1C=NNc1cccnn1 ZINC000794908575 629702386 /nfs/dbraw/zinc/70/23/86/629702386.db2.gz LGVOUFGKTYUKSD-UHFFFAOYSA-N 0 1 283.154 2.747 20 30 CFEDMN C(=NNC1=N[C@@H]2CCCC[C@H]2N1)c1ccc2occc2c1 ZINC000794921891 629705161 /nfs/dbraw/zinc/70/51/61/629705161.db2.gz FELDYBVAYPTPAI-ZIAGYGMSSA-N 0 1 282.347 2.627 20 30 CFEDMN Brc1ccc(C=NNc2cncnc2)cc1 ZINC000794975922 629713715 /nfs/dbraw/zinc/71/37/15/629713715.db2.gz ACSFFGVWWFQIDL-UHFFFAOYSA-N 0 1 277.125 2.685 20 30 CFEDMN Cc1cc(C)c2c(c1)C(=NNc1cncnc1)CCO2 ZINC000794975987 629713908 /nfs/dbraw/zinc/71/39/08/629713908.db2.gz BPNADHREFNAJAC-UHFFFAOYSA-N 0 1 268.320 2.692 20 30 CFEDMN COc1ccc(CN=Nc2cncnc2)cc1Cl ZINC000794979104 629714985 /nfs/dbraw/zinc/71/49/85/629714985.db2.gz WHBBFHNVHRYYEL-UHFFFAOYSA-N 0 1 262.700 2.585 20 30 CFEDMN COc1ccc(CN=Nc2cncnc2)cc1OC(F)F ZINC000794978797 629715265 /nfs/dbraw/zinc/71/52/65/629715265.db2.gz RXXRKFSXMBNZQV-UHFFFAOYSA-N 0 1 294.261 2.533 20 30 CFEDMN CSCC(=NNc1cncnc1)c1ccccc1 ZINC000794978532 629715288 /nfs/dbraw/zinc/71/52/88/629715288.db2.gz OMHAXHPULZDBAE-UHFFFAOYSA-N 0 1 258.350 2.656 20 30 CFEDMN Fc1ccc2nc(C=NNc3cncnc3)sc2c1 ZINC000794978929 629715386 /nfs/dbraw/zinc/71/53/86/629715386.db2.gz SDIBTDORCQODJZ-UHFFFAOYSA-N 0 1 273.296 2.671 20 30 CFEDMN Fc1cccnc1N=NC1CCN(Cc2ccccc2)C1 ZINC000794980502 629715830 /nfs/dbraw/zinc/71/58/30/629715830.db2.gz MTHJJNQYGANFDZ-UHFFFAOYSA-N 0 1 284.338 2.895 20 30 CFEDMN Fc1cccnc1N=NC1CCN(Cc2ccccn2)CC1 ZINC000794992949 629719109 /nfs/dbraw/zinc/71/91/09/629719109.db2.gz GERVLGMWQFVARH-UHFFFAOYSA-N 0 1 299.353 2.680 20 30 CFEDMN C=CCNN=C(C)c1ccc([O-])c(C[NH+](CC)CC)c1 ZINC000794999130 629720292 /nfs/dbraw/zinc/72/02/92/629720292.db2.gz YQKPMHMDDRPEBJ-UHFFFAOYSA-N 0 1 275.396 2.734 20 30 CFEDMN Fc1cccc(N=NCc2cnc([C@H]3CCCO3)s2)n1 ZINC000795005538 629721768 /nfs/dbraw/zinc/72/17/68/629721768.db2.gz ARXYOBYSIGRUCC-SNVBAGLBSA-N 0 1 292.339 2.975 20 30 CFEDMN Fc1cccc(N=NCc2ccc(Br)nc2)n1 ZINC000795007446 629722377 /nfs/dbraw/zinc/72/23/77/629722377.db2.gz ZVTJEHROLJFVPK-UHFFFAOYSA-N 0 1 295.115 2.824 20 30 CFEDMN Fc1cccc(NN=Cc2cnc3ccccc3n2)n1 ZINC000795006444 629723047 /nfs/dbraw/zinc/72/30/47/629723047.db2.gz ISPSGDRVIJLBJI-UHFFFAOYSA-N 0 1 267.267 2.610 20 30 CFEDMN COCCCON=Cc1cccc(Br)c1O ZINC000795056202 629730799 /nfs/dbraw/zinc/73/07/99/629730799.db2.gz VBTXQDRYMDOSHX-UHFFFAOYSA-N 0 1 288.141 2.542 20 30 CFEDMN C#CCOCCN1CCC[C@@H]1c1ccc(OC)c(F)c1 ZINC000852519012 634770049 /nfs/dbraw/zinc/77/00/49/634770049.db2.gz SJLRTAWBFHOSLW-OAHLLOKOSA-N 0 1 277.339 2.621 20 30 CFEDMN C#CCN(Cc1ccccc1)C[C@H](O)COc1ccccc1 ZINC000796634229 629943502 /nfs/dbraw/zinc/94/35/02/629943502.db2.gz ZRRGJOYDXYOONV-SFHVURJKSA-N 0 1 295.382 2.562 20 30 CFEDMN CC1(C)CC(CC(=O)[C@@H](C#N)C(=O)NC2CCCCC2)C1 ZINC000796743272 629958452 /nfs/dbraw/zinc/95/84/52/629958452.db2.gz ANHBFERKZUUKOM-CQSZACIVSA-N 0 1 290.407 2.970 20 30 CFEDMN C#CCCCCCCOC(=O)c1ccc([N+](=O)[O-])[nH]1 ZINC000835710453 629973711 /nfs/dbraw/zinc/97/37/11/629973711.db2.gz HNOLYUROWQLPRK-UHFFFAOYSA-N 0 1 264.281 2.663 20 30 CFEDMN C[C@@H](O)[C@H]1CCCN1Cc1cc(Cl)ccc1OCC#N ZINC000852559937 634779695 /nfs/dbraw/zinc/77/96/95/634779695.db2.gz NIIQIOWXFVAMGF-BXUZGUMPSA-N 0 1 294.782 2.588 20 30 CFEDMN CO[C@H](C)C(=O)C(C#N)c1ncc(C(C)(C)C)s1 ZINC000797566440 630082692 /nfs/dbraw/zinc/08/26/92/630082692.db2.gz JYCKOBNITTWFET-BDAKNGLRSA-N 0 1 266.366 2.652 20 30 CFEDMN CC(C)(C(=O)Nc1cc(C#N)ccc1O)C1CCOCC1 ZINC000797749257 630099686 /nfs/dbraw/zinc/09/96/86/630099686.db2.gz XYKBUEHQWWDLIQ-UHFFFAOYSA-N 0 1 288.347 2.655 20 30 CFEDMN C=CCNC(=O)C(C#N)C(=O)CC1CC(c2ccccc2)C1 ZINC000798817152 630241398 /nfs/dbraw/zinc/24/13/98/630241398.db2.gz UHRWFBQHIRMONW-BCLQGDPASA-N 0 1 296.370 2.581 20 30 CFEDMN N#Cc1ccc(O)c(NC(=O)c2ccoc2C2CC2)c1 ZINC000798984728 630266741 /nfs/dbraw/zinc/26/67/41/630266741.db2.gz CAMCQKPTDCLSTG-UHFFFAOYSA-N 0 1 268.272 2.987 20 30 CFEDMN Cc1nn(C(C)C)cc1C=NNc1cc(C)nc(C)n1 ZINC000799109039 630275782 /nfs/dbraw/zinc/27/57/82/630275782.db2.gz SVYMCKFRZCBYCR-UHFFFAOYSA-N 0 1 272.356 2.625 20 30 CFEDMN CCC(CC)CNN=C(C)c1ccc(N)c([N+](=O)[O-])c1 ZINC000799113942 630276279 /nfs/dbraw/zinc/27/62/79/630276279.db2.gz YPENBWSLHOOVTA-UHFFFAOYSA-N 0 1 278.356 2.927 20 30 CFEDMN CC[C@H](O)CN1CCC[C@H]1[C@H](C#N)c1ccccc1 ZINC000799303099 630294411 /nfs/dbraw/zinc/29/44/11/630294411.db2.gz BEGOSZGAZVWFRQ-XHSDSOJGSA-N 0 1 258.365 2.529 20 30 CFEDMN N#Cc1ccc(NN=Cc2cc(C(F)(F)F)n[nH]2)cc1 ZINC000799477377 630312412 /nfs/dbraw/zinc/31/24/12/630312412.db2.gz QYZFRPAFFRILFX-UHFFFAOYSA-N 0 1 279.225 2.746 20 30 CFEDMN C#C[C@H](N[C@H]1CCCc2c(OC)cccc21)[C@H]1CCCO1 ZINC000799724670 630340320 /nfs/dbraw/zinc/34/03/20/630340320.db2.gz GNVMUUJDLVMSSI-XYJFISCASA-N 0 1 285.387 2.843 20 30 CFEDMN CC(=NNCCN1CCCCC1)c1c(C)cc(C)cc1O ZINC000799875728 630350451 /nfs/dbraw/zinc/35/04/51/630350451.db2.gz CIMLENKIIUDUKW-UHFFFAOYSA-N 0 1 289.423 2.809 20 30 CFEDMN COC(=O)c1[nH]c(CN=Nc2cccc(F)c2F)cc1C ZINC000799882226 630351171 /nfs/dbraw/zinc/35/11/71/630351171.db2.gz IVKZJXIUNCORAD-UHFFFAOYSA-N 0 1 293.273 2.834 20 30 CFEDMN CC(=NNc1nccn1C)c1cnn(C2CCCC2)c1 ZINC000799886701 630352053 /nfs/dbraw/zinc/35/20/53/630352053.db2.gz ATQJVIFLAPFBMF-UHFFFAOYSA-N 0 1 272.356 2.568 20 30 CFEDMN C#CCN(C)Cc1ccc(Br)c(C)c1 ZINC000800380801 630375377 /nfs/dbraw/zinc/37/53/77/630375377.db2.gz CYTALPYWAWKZAU-UHFFFAOYSA-N 0 1 252.155 2.823 20 30 CFEDMN CCCCCNC(=O)C(C#N)C(=O)[C@@H](C)CCCC ZINC000800385370 630375934 /nfs/dbraw/zinc/37/59/34/630375934.db2.gz XNIJFKBSPCXLIC-QWHCGFSZSA-N 0 1 266.385 2.828 20 30 CFEDMN Cc1nc(C(C)N=Nc2cc(F)cc(F)c2)cn1C ZINC000800811047 630406889 /nfs/dbraw/zinc/40/68/89/630406889.db2.gz FNZFQXZHUOIKRG-UHFFFAOYSA-N 0 1 264.279 2.843 20 30 CFEDMN C#C[C@@H](C)N(C)C[C@H](OC)c1ccc(Cl)cc1 ZINC000801550871 630457424 /nfs/dbraw/zinc/45/74/24/630457424.db2.gz LBWRHJVKWACHRB-RISCZKNCSA-N 0 1 251.757 2.981 20 30 CFEDMN C[C@H](C#N)OCCN(Cc1ccccc1F)C1CC1 ZINC000801910804 630485319 /nfs/dbraw/zinc/48/53/19/630485319.db2.gz XLXCOZZFWMNPQA-GFCCVEGCSA-N 0 1 262.328 2.719 20 30 CFEDMN COc1ccccc1CN(CCO[C@H](C)C#N)C1CC1 ZINC000801912794 630485815 /nfs/dbraw/zinc/48/58/15/630485815.db2.gz DBKCVRZVTYLUDP-CYBMUJFWSA-N 0 1 274.364 2.588 20 30 CFEDMN N#C[C@H](C(=O)Nc1ccccc1)C(=O)c1coc(C2CC2)n1 ZINC000802042967 630499397 /nfs/dbraw/zinc/49/93/97/630499397.db2.gz MQNXZEDNDUCWBD-LBPRGKRZSA-N 0 1 295.298 2.513 20 30 CFEDMN N#CC(C(=O)Nc1ccccc1)C(=O)c1coc(C2CC2)n1 ZINC000802042967 630499400 /nfs/dbraw/zinc/49/94/00/630499400.db2.gz MQNXZEDNDUCWBD-LBPRGKRZSA-N 0 1 295.298 2.513 20 30 CFEDMN CN(C)c1ccc(C(N)=NOCCSC(C)(C)C)cc1 ZINC000802729537 630541448 /nfs/dbraw/zinc/54/14/48/630541448.db2.gz QHBNUHLPJGDNKU-UHFFFAOYSA-N 0 1 295.452 2.921 20 30 CFEDMN CC(C)(C)OCCCC(=O)Nc1cc(C#N)ccc1O ZINC000802891606 630560748 /nfs/dbraw/zinc/56/07/48/630560748.db2.gz UFJMCHUOQUOJGY-UHFFFAOYSA-N 0 1 276.336 2.798 20 30 CFEDMN C=CCN1CCN(CN2C[C@@H](c3ccccc3)C[C@@H]2C)C1=O ZINC000839998434 630607867 /nfs/dbraw/zinc/60/78/67/630607867.db2.gz QPMKGCGLQQOEAZ-RDJZCZTQSA-N 0 1 299.418 2.746 20 30 CFEDMN C=CCN1CCN(CN2CC[C@@H](c3ccccc3)[C@@H]2C)C1=O ZINC000840023299 630660220 /nfs/dbraw/zinc/66/02/20/630660220.db2.gz PRNGBWXWNBLZOJ-DOTOQJQBSA-N 0 1 299.418 2.746 20 30 CFEDMN CC(C)n1cc(/C=C\C(=O)c2cc(F)ccc2O)nn1 ZINC000806573902 630815067 /nfs/dbraw/zinc/81/50/67/630815067.db2.gz WHCMBIFWDBQACX-XQRVVYSFSA-N 0 1 275.283 2.600 20 30 CFEDMN Cc1csc([C@@H](C#N)C(=O)c2ccnc(Cl)c2)n1 ZINC000041516583 649991439 /nfs/dbraw/zinc/99/14/39/649991439.db2.gz BVZDUSPMPGOOMV-VIFPVBQESA-N 0 1 277.736 2.990 20 30 CFEDMN Cc1csc(C(C#N)C(=O)c2ccnc(Cl)c2)n1 ZINC000041516583 649991442 /nfs/dbraw/zinc/99/14/42/649991442.db2.gz BVZDUSPMPGOOMV-VIFPVBQESA-N 0 1 277.736 2.990 20 30 CFEDMN C[C@@H]1CC=C(C(=O)Nc2cc(C#N)ccc2O)CC1 ZINC000836780389 630881464 /nfs/dbraw/zinc/88/14/64/630881464.db2.gz SUTWXEGHZFUCCP-SNVBAGLBSA-N 0 1 256.305 2.949 20 30 CFEDMN CC(=N[N-]c1ccc(C)c[nH+]1)c1cnnn1-c1ccccc1 ZINC000807969792 630927906 /nfs/dbraw/zinc/92/79/06/630927906.db2.gz YFXOAFWZYDHELV-UHFFFAOYSA-N 0 1 292.346 2.807 20 30 CFEDMN C(=NNc1nccnc1C1CCC1)c1cncs1 ZINC000807993218 630933746 /nfs/dbraw/zinc/93/37/46/630933746.db2.gz VQYMHUUSFHRCPB-UHFFFAOYSA-N 0 1 259.338 2.647 20 30 CFEDMN N#Cc1cc(NCc2cc(Cl)cc(Cl)c2O)ccn1 ZINC000808090180 630949444 /nfs/dbraw/zinc/94/94/44/630949444.db2.gz SDWILFZSFCHYHY-UHFFFAOYSA-N 0 1 294.141 3.000 20 30 CFEDMN C#CCN(CN1C(=O)CCC1(C)C)C1CCCCC1 ZINC000808143616 630958306 /nfs/dbraw/zinc/95/83/06/630958306.db2.gz BRJYCSGVWUQOTA-UHFFFAOYSA-N 0 1 262.397 2.613 20 30 CFEDMN CC(C)(C)C#CC(=O)NC[C@@H](c1ccco1)N1CCCC1 ZINC000837311908 630994642 /nfs/dbraw/zinc/99/46/42/630994642.db2.gz FXBRILROSYISNV-AWEZNQCLSA-N 0 1 288.391 2.582 20 30 CFEDMN CC(C)(C)C#CC(=O)N[C@@H]1CCCN(Cc2ccccc2)C1 ZINC000837340630 631005792 /nfs/dbraw/zinc/00/57/92/631005792.db2.gz MWJHYCHVPBEEBB-QGZVFWFLSA-N 0 1 298.430 2.817 20 30 CFEDMN C=CCCCOC(=O)c1[nH]nc2c1cccc2OC ZINC000808673847 631026168 /nfs/dbraw/zinc/02/61/68/631026168.db2.gz VSCRFGPDRCLXIG-UHFFFAOYSA-N 0 1 260.293 2.695 20 30 CFEDMN C[C@@H]1CCN(Cc2ccccc2)CCN1C(=O)C#CC1CC1 ZINC000837449690 631033123 /nfs/dbraw/zinc/03/31/23/631033123.db2.gz WYUFGGGBHLVAKW-MRXNPFEDSA-N 0 1 296.414 2.523 20 30 CFEDMN C#CCN1CCC[C@@H]1COC(=O)CC1(C)CCCC1 ZINC000808982738 631061878 /nfs/dbraw/zinc/06/18/78/631061878.db2.gz DBMIKCUQBDCATR-CQSZACIVSA-N 0 1 263.381 2.598 20 30 CFEDMN Cc1csc([C@H](C#N)C(=O)c2ccnc(Cl)c2)n1 ZINC000041516585 649991650 /nfs/dbraw/zinc/99/16/50/649991650.db2.gz BVZDUSPMPGOOMV-SECBINFHSA-N 0 1 277.736 2.990 20 30 CFEDMN Cc1csc(C(C#N)C(=O)c2ccnc(Cl)c2)n1 ZINC000041516585 649991653 /nfs/dbraw/zinc/99/16/53/649991653.db2.gz BVZDUSPMPGOOMV-SECBINFHSA-N 0 1 277.736 2.990 20 30 CFEDMN N#CC[C@@H](O)CNC(c1ccccc1)c1ccccc1 ZINC000809576470 631238830 /nfs/dbraw/zinc/23/88/30/631238830.db2.gz AHMSOSOHYGLBSS-MRXNPFEDSA-N 0 1 266.344 2.640 20 30 CFEDMN C=CC[C@@H](CO)C[NH2+]Cc1c([O-])cc(C)cc1Cl ZINC000840908626 631258381 /nfs/dbraw/zinc/25/83/81/631258381.db2.gz VDYBVRPRUROXSB-LLVKDONJSA-N 0 1 269.772 2.628 20 30 CFEDMN C=CC[C@H](CO)C[NH2+]Cc1c([O-])cc(C)cc1Cl ZINC000840908627 631259166 /nfs/dbraw/zinc/25/91/66/631259166.db2.gz VDYBVRPRUROXSB-NSHDSACASA-N 0 1 269.772 2.628 20 30 CFEDMN C#C[C@@H](C)NCc1cccc(OCC)c1OCCC ZINC000809682795 631260493 /nfs/dbraw/zinc/26/04/93/631260493.db2.gz COLYPJXVZSEDDH-CYBMUJFWSA-N 0 1 261.365 2.985 20 30 CFEDMN C#C[C@@H](C)NCc1ccccc1OCc1cccnc1 ZINC000809683446 631260974 /nfs/dbraw/zinc/26/09/74/631260974.db2.gz AAWBUKCHFRXWHF-CQSZACIVSA-N 0 1 266.344 2.772 20 30 CFEDMN C#C[C@H](CC)NCc1ccc(NC(=O)OC(C)(C)C)nc1 ZINC000809685743 631262307 /nfs/dbraw/zinc/26/23/07/631262307.db2.gz OJVZCDZETLECDD-CYBMUJFWSA-N 0 1 289.379 2.930 20 30 CFEDMN C#C[C@@H](NCc1cc2ccccc2nc1OC)C(C)C ZINC000809685782 631262465 /nfs/dbraw/zinc/26/24/65/631262465.db2.gz QJPRNRJJNYKSPN-OAHLLOKOSA-N 0 1 268.360 2.991 20 30 CFEDMN C#C[C@H](NCc1ncccc1C(F)(F)F)C(C)C ZINC000809685431 631262890 /nfs/dbraw/zinc/26/28/90/631262890.db2.gz SXPSTZBCWOIOOD-NSHDSACASA-N 0 1 256.271 2.848 20 30 CFEDMN CCc1cc(CN[C@@H]2CCc3ccc(C#N)cc32)[nH]n1 ZINC000810218075 631344974 /nfs/dbraw/zinc/34/49/74/631344974.db2.gz OKRGSASLMVHBQA-MRXNPFEDSA-N 0 1 266.348 2.621 20 30 CFEDMN CCCCCCCC[C@H](C)C(=O)N[C@@H]1CNC[C@H]1C#N ZINC000852876280 634853484 /nfs/dbraw/zinc/85/34/84/634853484.db2.gz XEIJLPXHALQREX-RRFJBIMHSA-N 0 1 279.428 2.601 20 30 CFEDMN C#CC[C@H](OC(=O)[C@]1(F)CCN(C(C)(C)C)C1)C1CC1 ZINC000810609630 631402212 /nfs/dbraw/zinc/40/22/12/631402212.db2.gz NHRILHBABWUNOA-BBRMVZONSA-N 0 1 281.371 2.544 20 30 CFEDMN CC([NH2+]Nc1ccc(C(=O)[O-])cc1F)=C1CC1(F)F ZINC000841642000 631441318 /nfs/dbraw/zinc/44/13/18/631441318.db2.gz ZOOONLICVYDNRY-MRVPVSSYSA-N 0 1 272.226 2.967 20 30 CFEDMN C=C(CC)COC(=O)[C@@]1(F)CCN(C(C)(C)C)C1 ZINC000811444594 631564370 /nfs/dbraw/zinc/56/43/70/631564370.db2.gz JGEUSNJNXVYHMH-CQSZACIVSA-N 0 1 257.349 2.708 20 30 CFEDMN CC(C)N(C)c1ccc(C=NNC[C@H]2CCSC2)cn1 ZINC000811660043 631599088 /nfs/dbraw/zinc/59/90/88/631599088.db2.gz FGGFSLDBRFRSFN-CQSZACIVSA-N 0 1 292.452 2.603 20 30 CFEDMN COC(=O)c1cc(/C=C/C(=O)c2ccc(C)cc2O)cn1C ZINC000811692359 631607084 /nfs/dbraw/zinc/60/70/84/631607084.db2.gz FABOWYHHZLQACO-FNORWQNLSA-N 0 1 299.326 2.722 20 30 CFEDMN CC(C)CC(=NNc1ncnc2nc[nH]c21)c1ccncc1 ZINC000842524003 631652049 /nfs/dbraw/zinc/65/20/49/631652049.db2.gz GYSWESVEZJEUAA-UHFFFAOYSA-N 0 1 295.350 2.610 20 30 CFEDMN C#CC[C@H]1CCCN(CN2C[C@H](CC(C)(C)C)CC2=O)C1 ZINC000842628812 631684877 /nfs/dbraw/zinc/68/48/77/631684877.db2.gz GWFPOQONLGYMBS-HOTGVXAUSA-N 0 1 290.451 2.964 20 30 CFEDMN C#CC1CC[NH+](Cc2c([O-])ccc3ccncc32)CC1 ZINC000842634684 631689009 /nfs/dbraw/zinc/68/90/09/631689009.db2.gz ZJGXBHYHWJVPLA-UHFFFAOYSA-N 0 1 266.344 2.786 20 30 CFEDMN CC(N=Nc1ccccn1)c1cccc(N2CCOCC2)c1 ZINC000812396133 631699787 /nfs/dbraw/zinc/69/97/87/631699787.db2.gz LFTZLXMOHMBXPG-UHFFFAOYSA-N 0 1 296.374 2.754 20 30 CFEDMN c1csc(-c2n[nH]cc2CN=Nc2ccccn2)c1 ZINC000812396511 631700201 /nfs/dbraw/zinc/70/02/01/631700201.db2.gz VGYSKLPEONUDAT-UHFFFAOYSA-N 0 1 269.333 2.979 20 30 CFEDMN CCN(Cc1cc(Cl)ccc1OCC#N)[C@H]1CCOC1 ZINC000812879890 631801164 /nfs/dbraw/zinc/80/11/64/631801164.db2.gz VOBYYIXKFFEBLW-AWEZNQCLSA-N 0 1 294.782 2.853 20 30 CFEDMN CCCCCCNC(=O)C(C#N)C(=O)[C@@H]1C[C@H]1CCC ZINC000813058119 631820856 /nfs/dbraw/zinc/82/08/56/631820856.db2.gz DUOSLJUDYIGROH-MCIONIFRSA-N 0 1 278.396 2.828 20 30 CFEDMN C[C@H](C[C@@H](O)c1ccccc1)NC[C@H](C#N)CCC#N ZINC000843094497 631833572 /nfs/dbraw/zinc/83/35/72/631833572.db2.gz UKYSZDZJJDPYLJ-IJEWVQPXSA-N 0 1 271.364 2.532 20 30 CFEDMN C#CCN(CC(=O)N(CC(C)C)C1CC1)C1CCCC1 ZINC000155902550 650036028 /nfs/dbraw/zinc/03/60/28/650036028.db2.gz JLZWMGAXHOHKCA-UHFFFAOYSA-N 0 1 276.424 2.511 20 30 CFEDMN N#CC(C(=O)C1=COCC1)c1cc(C(F)(F)F)ccn1 ZINC000813218425 631883217 /nfs/dbraw/zinc/88/32/17/631883217.db2.gz OUUWFVKXCFRPEE-JTQLQIEISA-N 0 1 282.221 2.581 20 30 CFEDMN C#CC[C@H]1CCCN(Cc2nc3c(s2)CCC3)C1 ZINC000843423887 631953041 /nfs/dbraw/zinc/95/30/41/631953041.db2.gz LJTYTACJBIMXDR-LBPRGKRZSA-N 0 1 260.406 2.867 20 30 CFEDMN C#CC1CCN(C(=O)[C@@H](c2ccccc2)N(C)CC)CC1 ZINC000843705173 632033048 /nfs/dbraw/zinc/03/30/48/632033048.db2.gz VBLMXEJAUMPGKG-QGZVFWFLSA-N 0 1 284.403 2.551 20 30 CFEDMN CN(CCC#N)c1ccc(C=NOCC2CC2)cc1 ZINC000814243439 632043340 /nfs/dbraw/zinc/04/33/40/632043340.db2.gz WDXOIVMIPPUPHD-UHFFFAOYSA-N 0 1 257.337 2.797 20 30 CFEDMN C#CC[C@@H]1CCCN(C(=O)c2sccc2CN(C)C)C1 ZINC000844000039 632091848 /nfs/dbraw/zinc/09/18/48/632091848.db2.gz UEAJVSNDCJYYQD-CYBMUJFWSA-N 0 1 290.432 2.685 20 30 CFEDMN C#CC[C@@H]1CCCN(C(=O)c2cnc(-c3ccccc3)[nH]2)C1 ZINC000843998831 632092067 /nfs/dbraw/zinc/09/20/67/632092067.db2.gz CVJQLUUHPWNKAV-CQSZACIVSA-N 0 1 293.370 2.952 20 30 CFEDMN CCC(N=Nc1cn[nH]c(=O)c1Cl)c1cccc(N)c1 ZINC000814782937 632122876 /nfs/dbraw/zinc/12/28/76/632122876.db2.gz RNCXZGVOVJQMSW-UHFFFAOYSA-N 0 1 291.742 2.644 20 30 CFEDMN Cc1n[nH]cc1C(C)N=Nc1nc2cc(F)c(F)cc2[nH]1 ZINC000814796139 632125299 /nfs/dbraw/zinc/12/52/99/632125299.db2.gz OUXNRKKNCAAUCE-UHFFFAOYSA-N 0 1 290.277 2.709 20 30 CFEDMN CC(=NNc1nc2cc(F)c(F)cc2[nH]1)c1c[nH]nc1C ZINC000814796139 632125303 /nfs/dbraw/zinc/12/53/03/632125303.db2.gz OUXNRKKNCAAUCE-UHFFFAOYSA-N 0 1 290.277 2.709 20 30 CFEDMN CC(=N[N-]c1[nH]c2cc(F)c(F)cc2[nH+]1)c1c[nH]nc1C ZINC000814796139 632125307 /nfs/dbraw/zinc/12/53/07/632125307.db2.gz OUXNRKKNCAAUCE-UHFFFAOYSA-N 0 1 290.277 2.709 20 30 CFEDMN CSc1ccc(C=NNc2ncnc3nc[nH]c32)s1 ZINC000814813243 632130994 /nfs/dbraw/zinc/13/09/94/632130994.db2.gz BGMZXQSVJCIGJD-UHFFFAOYSA-N 0 1 290.377 2.582 20 30 CFEDMN Fc1ccc(NNC2=C[C@@H](C(F)(F)F)OCC2)nc1 ZINC000814842708 632137027 /nfs/dbraw/zinc/13/70/27/632137027.db2.gz PMRMZINJWDGCIE-VIFPVBQESA-N 0 1 277.221 2.730 20 30 CFEDMN CC(N=Nc1cccc(C(F)(F)F)n1)c1csnn1 ZINC000814853725 632138605 /nfs/dbraw/zinc/13/86/05/632138605.db2.gz VCOQXTZJJLVCLG-UHFFFAOYSA-N 0 1 287.270 2.788 20 30 CFEDMN Cc1nc(Cl)cc(N=NCc2cccnc2Cl)n1 ZINC000814855429 632139699 /nfs/dbraw/zinc/13/96/99/632139699.db2.gz MBTOQKDIDNAGMJ-UHFFFAOYSA-N 0 1 282.134 2.933 20 30 CFEDMN Cc1cc[nH+]c([N-]N=C2COc3cc(F)cc(F)c32)c1 ZINC000814868470 632143335 /nfs/dbraw/zinc/14/33/35/632143335.db2.gz VATQGXKVQKDRHN-UHFFFAOYSA-N 0 1 275.258 2.877 20 30 CFEDMN Nc1ccc2c(c1)C(N=Nc1ccncc1Cl)CCC2 ZINC000814868729 632143646 /nfs/dbraw/zinc/14/36/46/632143646.db2.gz GQQYHUOCYLYMRM-UHFFFAOYSA-N 0 1 286.766 2.892 20 30 CFEDMN Nc1nc2c(s1)C(=[NH+][N-]c1cc(Cl)ccn1)CCC2 ZINC000814898099 632154087 /nfs/dbraw/zinc/15/40/87/632154087.db2.gz KDCQIQBSASVCBT-UHFFFAOYSA-N 0 1 293.783 2.926 20 30 CFEDMN C[C@@H]1C(N=Nc2ccncc2)CCCN1Cc1ccccc1 ZINC000814899637 632155253 /nfs/dbraw/zinc/15/52/53/632155253.db2.gz GHFBGKMUELVSPV-OAHLLOKOSA-N 0 1 294.402 2.956 20 30 CFEDMN COc1ccc(N=NCc2cccc(C)c2O)nc1 ZINC000814910241 632160587 /nfs/dbraw/zinc/16/05/87/632160587.db2.gz XPMWWIXRIRQVDY-UHFFFAOYSA-N 0 1 257.293 2.550 20 30 CFEDMN CN(C)c1ncc(C=NN2CCC(C(C)(C)C)CC2)cn1 ZINC000814913717 632162354 /nfs/dbraw/zinc/16/23/54/632162354.db2.gz UBIVMQSPZWCHFR-UHFFFAOYSA-N 0 1 289.427 2.635 20 30 CFEDMN CSc1ccc(C=NNc2nccn2C)s1 ZINC000814918351 632164378 /nfs/dbraw/zinc/16/43/78/632164378.db2.gz MIMDBTHXBWYZKA-UHFFFAOYSA-N 0 1 252.368 2.650 20 30 CFEDMN Oc1ccc(CN=Nc2ccc(F)c(F)c2F)cc1O ZINC000814944903 632176960 /nfs/dbraw/zinc/17/69/60/632176960.db2.gz BTZTYYBPOPBOLN-UHFFFAOYSA-N 0 1 282.221 2.961 20 30 CFEDMN CC(=NNc1ccc(F)c(F)c1F)c1cnn(C)c1C ZINC000814945340 632177254 /nfs/dbraw/zinc/17/72/54/632177254.db2.gz VWZQVGGDMQVEAJ-UHFFFAOYSA-N 0 1 282.269 2.982 20 30 CFEDMN CC(=NNc1cnnn1C)c1ccc2c3c(cccc31)CC2 ZINC000814981642 632183773 /nfs/dbraw/zinc/18/37/73/632183773.db2.gz MXJFNTPKYZEGOD-UHFFFAOYSA-N 0 1 291.358 2.903 20 30 CFEDMN C#CCOc1cccc(Cl)c1CNC[C@@H](OC)C1CC1 ZINC000815153540 632219736 /nfs/dbraw/zinc/21/97/36/632219736.db2.gz QSALGXMYYWOTNP-MRXNPFEDSA-N 0 1 293.794 2.867 20 30 CFEDMN CC#CCN(C)Cc1ccc(OC[C@H]2CCCO2)cc1 ZINC000815282455 632242891 /nfs/dbraw/zinc/24/28/91/632242891.db2.gz MYMJTHSFOFRGEN-QGZVFWFLSA-N 0 1 273.376 2.700 20 30 CFEDMN C=CCOCCOC(=O)[C@@H]1CCCCN1C1CCCC1 ZINC000815444855 632274587 /nfs/dbraw/zinc/27/45/87/632274587.db2.gz LVHODRNOERBYKK-HNNXBMFYSA-N 0 1 281.396 2.529 20 30 CFEDMN C#CCCCOC(=O)[C@H]1CCCCN1C1CCCC1 ZINC000815444920 632274856 /nfs/dbraw/zinc/27/48/56/632274856.db2.gz NGSSRZZZMAEUPY-OAHLLOKOSA-N 0 1 263.381 2.740 20 30 CFEDMN N#Cc1ccc(O)c(NC(=O)[C@@H]2CCc3cccc(O)c32)c1 ZINC000815877773 632328054 /nfs/dbraw/zinc/32/80/54/632328054.db2.gz GXVMJXMHTIEUFE-GFCCVEGCSA-N 0 1 294.310 2.638 20 30 CFEDMN Cc1nc(C(=O)C(C#N)C(=O)Nc2cccc(C)c2)c(C)o1 ZINC000815908174 632331932 /nfs/dbraw/zinc/33/19/32/632331932.db2.gz VFSYNIFALBJAKZ-CYBMUJFWSA-N 0 1 297.314 2.561 20 30 CFEDMN N#CC(C(=O)Nc1ccccn1)C(=O)[C@@H]1CC2CCC1CC2 ZINC000815915446 632333065 /nfs/dbraw/zinc/33/30/65/632333065.db2.gz OWVATDMFOBOIQR-NWINJMCUSA-N 0 1 297.358 2.555 20 30 CFEDMN CCCCCCNC(=O)C(C#N)C(=O)[C@@H]1C[C@H]1C1CCC1 ZINC000845444490 632435934 /nfs/dbraw/zinc/43/59/34/632435934.db2.gz WPFAUQSVGYXGFT-RRFJBIMHSA-N 0 1 290.407 2.828 20 30 CFEDMN N#CC(C(=O)NC1CCCC1)C(=O)[C@H]1C[C@H]1C1CCCC1 ZINC000845452769 632438295 /nfs/dbraw/zinc/43/82/95/632438295.db2.gz ZFKBWWXSVYLEBG-KKUMJFAQSA-N 0 1 288.391 2.580 20 30 CFEDMN C=CCC(F)(F)C(=O)N(CCC)CCN1CCCCC1 ZINC000816649929 632503870 /nfs/dbraw/zinc/50/38/70/632503870.db2.gz ORMPEZLPQMRLOJ-UHFFFAOYSA-N 0 1 288.382 2.922 20 30 CFEDMN C=CCc1cc(CN2C[C@@H](C)[C@@H]2C)cc(OC)c1O ZINC000816650129 632504954 /nfs/dbraw/zinc/50/49/54/632504954.db2.gz VJXFQBPRHNRTRX-NEPJUHHUSA-N 0 1 261.365 2.970 20 30 CFEDMN CC(C)(C)[N@H+]1CC[C@H]1COC(=O)c1ccc(C#N)s1 ZINC000845739521 632545133 /nfs/dbraw/zinc/54/51/33/632545133.db2.gz JFZBJZRGLXLVHY-JTQLQIEISA-N 0 1 278.377 2.649 20 30 CFEDMN CC(C)(C)N1CC[C@H]1COC(=O)c1ccc(C#N)s1 ZINC000845739521 632545136 /nfs/dbraw/zinc/54/51/36/632545136.db2.gz JFZBJZRGLXLVHY-JTQLQIEISA-N 0 1 278.377 2.649 20 30 CFEDMN CCOCCCC(=O)C(C#N)=C(O)C1(c2ccccc2)CC1 ZINC000845837956 632577342 /nfs/dbraw/zinc/57/73/42/632577342.db2.gz KLZGCTRJFYUBLC-HNNXBMFYSA-N 0 1 299.370 2.813 20 30 CFEDMN N#CC(C(=O)CSC1CC1)=C(O)C1(c2ccccc2)CC1 ZINC000845845467 632579669 /nfs/dbraw/zinc/57/96/69/632579669.db2.gz XUTMRTQJAIOUIZ-CQSZACIVSA-N 0 1 299.395 2.892 20 30 CFEDMN CC[C@@H]1CN(Cc2ccc(OCC#N)cc2)C[C@@H](CC)O1 ZINC000817280670 632592931 /nfs/dbraw/zinc/59/29/31/632592931.db2.gz JVFQTFPHKUFPEC-HZPDHXFCSA-N 0 1 288.391 2.978 20 30 CFEDMN Nc1ccc2c(c1)C(N=Nc1cncnc1)CCCC2 ZINC000817327227 632603431 /nfs/dbraw/zinc/60/34/31/632603431.db2.gz FKYNCJWTVYAQOS-UHFFFAOYSA-N 0 1 267.336 2.601 20 30 CFEDMN Cc1nc(F)ccc1CN(C)C[C@H](O)c1cccc(C#N)c1 ZINC000846008832 632611958 /nfs/dbraw/zinc/61/19/58/632611958.db2.gz YEIOVZHCTPZRTB-INIZCTEOSA-N 0 1 299.349 2.566 20 30 CFEDMN CC(C)(C)OC(=O)NC(C)(C)CNCC1(C#N)CCCC1 ZINC000846010294 632613280 /nfs/dbraw/zinc/61/32/80/632613280.db2.gz IXDZLSMJXUTDSL-UHFFFAOYSA-N 0 1 295.427 2.963 20 30 CFEDMN C#CCOc1ccc(CN2C[C@H](C)OCC23CCC3)cc1 ZINC000846067357 632628643 /nfs/dbraw/zinc/62/86/43/632628643.db2.gz QFDZGSWHHHMANK-HNNXBMFYSA-N 0 1 285.387 2.842 20 30 CFEDMN C=CC[N@H+](CCOc1ccc(/C=C/C(=O)[O-])cc1)C1CC1 ZINC000846255668 632675873 /nfs/dbraw/zinc/67/58/73/632675873.db2.gz KYXLBVPBHPEQAT-BJMVGYQFSA-N 0 1 287.359 2.814 20 30 CFEDMN C=C[C@@H](C)ONC(=O)[C@H]1CCCc2sccc21 ZINC000846547699 632736729 /nfs/dbraw/zinc/73/67/29/632736729.db2.gz LUCIOAIAUDAKPZ-KOLCDFICSA-N 0 1 251.351 2.790 20 30 CFEDMN C=C[C@H](C)ONC(=O)C(C)(C)c1cc(F)cc(C#N)c1 ZINC000846552780 632739580 /nfs/dbraw/zinc/73/95/80/632739580.db2.gz PPDZLMAGQVFTHM-JTQLQIEISA-N 0 1 276.311 2.597 20 30 CFEDMN C=C(C)COCCNCc1cc(C(OC)OC)ccc1F ZINC000818194414 632810567 /nfs/dbraw/zinc/81/05/67/632810567.db2.gz GQQZQEFWPHFEQH-UHFFFAOYSA-N 0 1 297.370 2.799 20 30 CFEDMN C#C[C@@H]1CCCN(C[C@H](O)c2ccc(F)cc2Cl)C1 ZINC000847020954 632885507 /nfs/dbraw/zinc/88/55/07/632885507.db2.gz GXLDQXKZUWEWCR-ABAIWWIYSA-N 0 1 281.758 2.858 20 30 CFEDMN C#C[C@@H]1CCC[N@H+](CCC(=O)c2ccc(C)cc2)C1 ZINC000847020585 632885930 /nfs/dbraw/zinc/88/59/30/632885930.db2.gz BVKLFAHNXXRLKS-OAHLLOKOSA-N 0 1 255.361 2.913 20 30 CFEDMN C#C[C@@H]1CCCN([C@@H](C)C(=O)Nc2cc(C)cc(C)c2)C1 ZINC000847022067 632886567 /nfs/dbraw/zinc/88/65/67/632886567.db2.gz FGZLQSLTQJLJGX-JKSUJKDBSA-N 0 1 284.403 2.976 20 30 CFEDMN C#C[C@@H]1CCCN([C@@H](C)C(=O)NCCC2=CCCCC2)C1 ZINC000847022643 632886831 /nfs/dbraw/zinc/88/68/31/632886831.db2.gz IIWCIYCLRRLXKM-JKSUJKDBSA-N 0 1 288.435 2.727 20 30 CFEDMN C#C[C@@H]1CCCN([C@H](C)C(=O)NCCC2=CCCCC2)C1 ZINC000847022642 632887941 /nfs/dbraw/zinc/88/79/41/632887941.db2.gz IIWCIYCLRRLXKM-HZPDHXFCSA-N 0 1 288.435 2.727 20 30 CFEDMN C#C[C@@H]1CCCN([C@H](C)C(=O)Nc2ccccc2CC)C1 ZINC000847025094 632891129 /nfs/dbraw/zinc/89/11/29/632891129.db2.gz UYRXOHZLORPXOV-HUUCEWRRSA-N 0 1 284.403 2.921 20 30 CFEDMN C#C[C@H]1CCCN(CC(=O)N[C@H](CCC)c2ccccc2)C1 ZINC000847024900 632891298 /nfs/dbraw/zinc/89/12/98/632891298.db2.gz AGDZPDCGLDABEY-FUHWJXTLSA-N 0 1 298.430 2.989 20 30 CFEDMN CCCCCCCCCN1CCn2nncc2C1 ZINC000847030664 632893612 /nfs/dbraw/zinc/89/36/12/632893612.db2.gz ZOHZEPPQSLVKSG-UHFFFAOYSA-N 0 1 250.390 2.844 20 30 CFEDMN C#C[C@@H]1CCCN(CC(=O)N[C@H](C)c2ccc(CC)cc2)C1 ZINC000847030753 632895140 /nfs/dbraw/zinc/89/51/40/632895140.db2.gz RVEVRAYZASCTAY-NVXWUHKLSA-N 0 1 298.430 2.771 20 30 CFEDMN C#C[C@@H]1CCCN([C@H](C)C(=O)N[C@H](C)c2ccccc2)C1 ZINC000847031868 632896106 /nfs/dbraw/zinc/89/61/06/632896106.db2.gz VDXQUVGSNLVUCC-BZUAXINKSA-N 0 1 284.403 2.598 20 30 CFEDMN C#C[C@@H]1CCCN(CC(=O)N2CCC[C@@H]3CCCC[C@@H]32)C1 ZINC000847032672 632897032 /nfs/dbraw/zinc/89/70/32/632897032.db2.gz YKVANNADWVXWSM-IKGGRYGDSA-N 0 1 288.435 2.513 20 30 CFEDMN Cc1ccc(N2CCC[C@@H](NC[C@H](C#N)CCC#N)C2)cc1 ZINC000819114792 632970349 /nfs/dbraw/zinc/97/03/49/632970349.db2.gz YEPSYZUJZRDVRK-DLBZAZTESA-N 0 1 296.418 2.997 20 30 CFEDMN C#CC[C@H](NC[C@@](C)(O)C(F)(F)F)c1ccccc1 ZINC000819192469 633011380 /nfs/dbraw/zinc/01/13/80/633011380.db2.gz YRKMFKKBVQUHIW-QWHCGFSZSA-N 0 1 271.282 2.654 20 30 CFEDMN C[C@H](Cc1cnc[nH]1)C(=O)Nc1ccccc1O[C@@H](C)C#N ZINC000847693824 633042719 /nfs/dbraw/zinc/04/27/19/633042719.db2.gz ZIVCNJHPUPECOY-NEPJUHHUSA-N 0 1 298.346 2.518 20 30 CFEDMN C#CCCC[C@@H](C)OC(=O)[C@H](CC)N(CC)CC ZINC000847866138 633113831 /nfs/dbraw/zinc/11/38/31/633113831.db2.gz KXQOYJFEXUMVQH-KGLIPLIRSA-N 0 1 253.386 2.842 20 30 CFEDMN C=C[C@@H](C)O[N-]C(=O)[C@H](c1ccc(Cl)cc1)[NH+](C)C ZINC000848244785 633223114 /nfs/dbraw/zinc/22/31/14/633223114.db2.gz DRQPOEUZMKPBEO-MFKMUULPSA-N 0 1 282.771 2.565 20 30 CFEDMN C#C[C@H]1CCCN(C(=O)c2cccc(C(F)(F)F)c2O)C1 ZINC000848275412 633228145 /nfs/dbraw/zinc/22/81/45/633228145.db2.gz NKYDOPPVIWIWMW-JTQLQIEISA-N 0 1 297.276 2.896 20 30 CFEDMN C#C[C@H]1CCCN(C(=O)c2cc(-c3ccc(C)cc3)[nH]n2)C1 ZINC000848291030 633235011 /nfs/dbraw/zinc/23/50/11/633235011.db2.gz VDDUKUXTHMZGOG-AWEZNQCLSA-N 0 1 293.370 2.871 20 30 CFEDMN C=CCCCCCNC(=O)c1nnc2ccccc2c1O ZINC000848293371 633235973 /nfs/dbraw/zinc/23/59/73/633235973.db2.gz IVHQPOHXBVEYOE-UHFFFAOYSA-N 0 1 285.347 2.812 20 30 CFEDMN Fc1cccc(CNN=C2CCCN3CCCC[C@H]23)c1 ZINC000848402826 633249513 /nfs/dbraw/zinc/24/95/13/633249513.db2.gz IJXYLXNOTWMANM-MRXNPFEDSA-N 0 1 275.371 2.920 20 30 CFEDMN C[C@@H](NN=C1CCCN2CCCC[C@H]12)c1ccncc1 ZINC000848411958 633252325 /nfs/dbraw/zinc/25/23/25/633252325.db2.gz GJPITAAKOKCDAP-CZUORRHYSA-N 0 1 272.396 2.737 20 30 CFEDMN C[C@H](NN=C1CCCN2CCCC[C@H]12)C(F)(F)F ZINC000848412621 633252655 /nfs/dbraw/zinc/25/26/55/633252655.db2.gz WNEUEIMSOJSVLE-GXSJLCMTSA-N 0 1 263.307 2.531 20 30 CFEDMN COc1ccc(CN[C@H](C)c2cncnc2C)cc1C#N ZINC000848534962 633280647 /nfs/dbraw/zinc/28/06/47/633280647.db2.gz BTQZEBDUQJMWTI-LLVKDONJSA-N 0 1 282.347 2.516 20 30 CFEDMN C#C[C@@H]1CCCN(Cc2cc(OC)cc3c2O[C@@H](C)C3)C1 ZINC000848923181 633404947 /nfs/dbraw/zinc/40/49/47/633404947.db2.gz ALWQWVKVEPWRHW-UONOGXRCSA-N 0 1 285.387 2.864 20 30 CFEDMN C#C[C@H]1CCCN(Cc2cc(-c3ccccc3)n[nH]2)C1 ZINC000848924474 633407502 /nfs/dbraw/zinc/40/75/02/633407502.db2.gz SZOKINWGUJSALP-AWEZNQCLSA-N 0 1 265.360 2.922 20 30 CFEDMN Cn1ncc(C2CC2)c1/C=C\C(=O)c1ccccc1O ZINC000849247469 633589628 /nfs/dbraw/zinc/58/96/28/633589628.db2.gz TZKJBHSKJDZDJE-HJWRWDBZSA-N 0 1 268.316 2.899 20 30 CFEDMN O=C(/C=C/c1ccnn1CC1CC1)c1ccccc1O ZINC000849246243 633589728 /nfs/dbraw/zinc/58/97/28/633589728.db2.gz GFVQDZLQLDOHLT-BQYQJAHWSA-N 0 1 268.316 2.895 20 30 CFEDMN COc1ccc(C(=O)/C=C/c2ccnn2CC2CC2)c(O)c1 ZINC000849246360 633590085 /nfs/dbraw/zinc/59/00/85/633590085.db2.gz HOJDSULQVVHMNU-QPJJXVBHSA-N 0 1 298.342 2.903 20 30 CFEDMN C#CC[C@H]1CCC[N@H+](Cc2cc(C(=O)[O-])c(C)o2)C1 ZINC000849344234 633622647 /nfs/dbraw/zinc/62/26/47/633622647.db2.gz FRMYVDSFEUKAOU-LBPRGKRZSA-N 0 1 261.321 2.522 20 30 CFEDMN C#CC[C@@H]1CCC[N@H+]([C@H](C(=O)[O-])c2ccccc2F)C1 ZINC000849344286 633622712 /nfs/dbraw/zinc/62/27/12/633622712.db2.gz HSZAHHPBABSKOW-DOMZBBRYSA-N 0 1 275.323 2.687 20 30 CFEDMN C#CCC1(C(=O)O[C@H](C)c2n[nH]c(CC)n2)CCCCC1 ZINC000849760340 633706271 /nfs/dbraw/zinc/70/62/71/633706271.db2.gz FPGHSZSANYSFEU-GFCCVEGCSA-N 0 1 289.379 2.945 20 30 CFEDMN C=CC[C@H](NCc1cnc(C)n1C)c1ccncc1 ZINC000850137068 633851459 /nfs/dbraw/zinc/85/14/59/633851459.db2.gz JKLANMCUXDBJGM-HNNXBMFYSA-N 0 1 256.353 2.531 20 30 CFEDMN C=CC[C@H](NCc1cncc(OC)c1)c1ccncc1 ZINC000850136896 633851681 /nfs/dbraw/zinc/85/16/81/633851681.db2.gz HXVCLBIWCKFGFW-INIZCTEOSA-N 0 1 269.348 2.892 20 30 CFEDMN C#C[C@H](NCc1cc2c(cccc2C)[nH]1)[C@@H]1CCCO1 ZINC000850250996 633913415 /nfs/dbraw/zinc/91/34/15/633913415.db2.gz JFSHBXSUUFLPEX-RDJZCZTQSA-N 0 1 268.360 2.747 20 30 CFEDMN COc1cncc(CN[C@@H]2CCc3cc(C#N)ccc32)c1 ZINC000850280813 633923356 /nfs/dbraw/zinc/92/33/56/633923356.db2.gz JKSSRXFLONIWSM-QGZVFWFLSA-N 0 1 279.343 2.739 20 30 CFEDMN C#CCOc1cccc(Cl)c1CN[C@H](C)C1(CO)CC1 ZINC000850361828 633956154 /nfs/dbraw/zinc/95/61/54/633956154.db2.gz VZDQILSKVXVLLC-GFCCVEGCSA-N 0 1 293.794 2.603 20 30 CFEDMN CC1(C)CC[C@H]1C(=O)[C@H](C#N)C(=O)NC1CCCCC1 ZINC000850757204 634081317 /nfs/dbraw/zinc/08/13/17/634081317.db2.gz HLQRCBXIOWRQTF-STQMWFEESA-N 0 1 276.380 2.580 20 30 CFEDMN N#C[C@@H](C(=O)[C@@H]1CCCC2(CC2)C1)c1ccncn1 ZINC000850947696 634148680 /nfs/dbraw/zinc/14/86/80/634148680.db2.gz JNGXAPIMPOAJHL-VXGBXAGGSA-N 0 1 255.321 2.623 20 30 CFEDMN N#C[C@H](C(=O)C1CCC(C2CC2)CC1)c1ccncn1 ZINC000850947320 634148876 /nfs/dbraw/zinc/14/88/76/634148876.db2.gz FWNWQBUENWRHLR-RUXDESIVSA-N 0 1 269.348 2.869 20 30 CFEDMN N#C[C@@H](C(=O)CC1(C#N)CCCCC1)c1ccncn1 ZINC000850947552 634149036 /nfs/dbraw/zinc/14/90/36/634149036.db2.gz IHYDBRIFGPKTAA-GFCCVEGCSA-N 0 1 268.320 2.517 20 30 CFEDMN N#C[C@@H](C(=O)[C@H]1C[C@H]2C[C@H]2C1)c1cnc2ccccc2n1 ZINC000850987128 634166649 /nfs/dbraw/zinc/16/66/49/634166649.db2.gz VEJXLNWFHAPDQM-MROQNXINSA-N 0 1 277.327 2.852 20 30 CFEDMN N#C[C@H](C(=O)[C@H]1C[C@H]2C[C@H]2C1)c1cnc2ccccc2n1 ZINC000850987126 634167146 /nfs/dbraw/zinc/16/71/46/634167146.db2.gz VEJXLNWFHAPDQM-LOWDOPEQSA-N 0 1 277.327 2.852 20 30 CFEDMN CC[C@H](C(=O)O[C@H](C)CC(C)(C)C#N)N(CC)CC ZINC000851207164 634270965 /nfs/dbraw/zinc/27/09/65/634270965.db2.gz UEIOASITPTXIFO-CHWSQXEVSA-N 0 1 268.401 2.978 20 30 CFEDMN CC[C@H](C(=O)O[C@@H](C)CC(C)(C)C#N)N(CC)CC ZINC000851207166 634271001 /nfs/dbraw/zinc/27/10/01/634271001.db2.gz UEIOASITPTXIFO-QWHCGFSZSA-N 0 1 268.401 2.978 20 30 CFEDMN C#Cc1cccnc1NCC1(N2CCOCC2)CCCCC1 ZINC000853086970 634899662 /nfs/dbraw/zinc/89/96/62/634899662.db2.gz UKUZIHAEFXPXMG-UHFFFAOYSA-N 0 1 299.418 2.510 20 30 CFEDMN CCc1cc(CNc2nc(C#N)c(Cl)s2)n[nH]1 ZINC000853323043 634968323 /nfs/dbraw/zinc/96/83/23/634968323.db2.gz NDXFDZKWKNGBFI-UHFFFAOYSA-N 0 1 267.745 2.566 20 30 CFEDMN CCC(CC)CNN=Cc1ccnn1-c1ccncc1 ZINC000853335187 634973979 /nfs/dbraw/zinc/97/39/79/634973979.db2.gz KOLMVNAYBYFOSQ-UHFFFAOYSA-N 0 1 271.368 2.627 20 30 CFEDMN C[C@@H]1CCCCN1N=C1C(=O)Nc2cc(O)c(Cl)cc21 ZINC000853384923 634989890 /nfs/dbraw/zinc/98/98/90/634989890.db2.gz OHSYYMQSUVCRCD-MRVPVSSYSA-N 0 1 293.754 2.576 20 30 CFEDMN CCc1cccc2c1OCCC2=NNc1ccncc1F ZINC000853402087 634994895 /nfs/dbraw/zinc/99/48/95/634994895.db2.gz NLHIUCYDAOTEGT-UHFFFAOYSA-N 0 1 285.322 2.804 20 30 CFEDMN C#CCCCOc1cccnc1N[C@@H]1C[C@@H](C)[N@H+](C2CC2)C1 ZINC000853435283 634998560 /nfs/dbraw/zinc/99/85/60/634998560.db2.gz JMPBSXWTNAEGFK-HUUCEWRRSA-N 0 1 299.418 2.911 20 30 CFEDMN C=CC[C@@H]1CCCN(CN2C[C@@H](C(C)C)CC2=O)C1 ZINC000853536606 635031995 /nfs/dbraw/zinc/03/19/95/635031995.db2.gz FRLFJOXYRRWPBW-CABCVRRESA-N 0 1 264.413 2.737 20 30 CFEDMN C=CCCCCCCCNC(=O)C1(N(C)C)CC1 ZINC000854499462 635318763 /nfs/dbraw/zinc/31/87/63/635318763.db2.gz FXKOSUXLZJTTDV-UHFFFAOYSA-N 0 1 252.402 2.723 20 30 CFEDMN C#CCOc1ccc(CNCc2cccc(O)c2)cc1 ZINC000113332449 635554387 /nfs/dbraw/zinc/55/43/87/635554387.db2.gz FAMOVGBRKYCIBR-UHFFFAOYSA-N 0 1 267.328 2.694 20 30 CFEDMN C=CCCONC(=O)[C@H]1COc2ccc(Cl)cc2C1 ZINC000856029593 635705484 /nfs/dbraw/zinc/70/54/84/635705484.db2.gz VNZOOSCABMSDQS-LLVKDONJSA-N 0 1 281.739 2.515 20 30 CFEDMN C=CCCONC(=O)[C@@H](C)[C@@H]1OCCc2sccc21 ZINC000856035905 635710342 /nfs/dbraw/zinc/71/03/42/635710342.db2.gz NEFHVCGVRSNUSC-GWCFXTLKSA-N 0 1 281.377 2.622 20 30 CFEDMN CC1(C)CC[C@@H](CO)N(Cc2ccc(C#N)s2)C1 ZINC000856805316 635865152 /nfs/dbraw/zinc/86/51/52/635865152.db2.gz MWZFDGLZYFZZNX-NSHDSACASA-N 0 1 264.394 2.603 20 30 CFEDMN CCCCCCCCCC(=O)N1CCNC[C@H]1C ZINC000115064264 635964481 /nfs/dbraw/zinc/96/44/81/635964481.db2.gz DCJDQYMUDKUZBK-CQSZACIVSA-N 0 1 254.418 2.947 20 30 CFEDMN C#CC[C@H](CCOC)NCc1csc(C(C)(C)C)n1 ZINC000858333975 636194318 /nfs/dbraw/zinc/19/43/18/636194318.db2.gz QLUVHOIYWGEKGQ-GFCCVEGCSA-N 0 1 280.437 2.959 20 30 CFEDMN C[C@@H](C#N)Oc1ccc(CN[C@H](CO)c2ccccc2)cc1 ZINC000116345173 636346345 /nfs/dbraw/zinc/34/63/45/636346345.db2.gz KYRSKLNGCDCCSJ-KBXCAEBGSA-N 0 1 296.370 2.801 20 30 CFEDMN CC[C@@H]1CO[C@@H](C)CN1CCCOc1ccc(C#N)cc1 ZINC000048068819 650254129 /nfs/dbraw/zinc/25/41/29/650254129.db2.gz HUVSCJHVFSFZFO-GOEBONIOSA-N 0 1 288.391 2.826 20 30 CFEDMN N#CC(C(=O)CC1CCC(F)(F)CC1)C(=O)N1CCCC1 ZINC000860462018 636891538 /nfs/dbraw/zinc/89/15/38/636891538.db2.gz PLEPEIGGMRHENS-LBPRGKRZSA-N 0 1 298.333 2.533 20 30 CFEDMN CC[C@H](CC#N)OC(=O)c1cc(-c2ccc(C)o2)n[nH]1 ZINC000188045410 650312887 /nfs/dbraw/zinc/31/28/87/650312887.db2.gz QFMYNPAUYKMJPS-SNVBAGLBSA-N 0 1 273.292 2.827 20 30 CFEDMN CC(C)(C(=O)NOCCC1CC1)c1ccc(C#N)cc1 ZINC000861825015 637241253 /nfs/dbraw/zinc/24/12/53/637241253.db2.gz ZJQHOXVUVPFARN-UHFFFAOYSA-N 0 1 272.348 2.684 20 30 CFEDMN CCCCCCCNC(=O)[C@H]1CCCc2[nH]ncc21 ZINC000862358266 637332766 /nfs/dbraw/zinc/33/27/66/637332766.db2.gz AEKGSTJUGNFKRJ-LBPRGKRZSA-N 0 1 263.385 2.916 20 30 CFEDMN Cc1ccc([N-]N=C2CCCc3scnc32)[nH+]c1 ZINC000863089351 637552429 /nfs/dbraw/zinc/55/24/29/637552429.db2.gz QCHZRRXKBIULQA-UHFFFAOYSA-N 0 1 258.350 2.999 20 30 CFEDMN Cc1ccc(NN=C2CCCc3scnc32)nc1 ZINC000863089351 637552434 /nfs/dbraw/zinc/55/24/34/637552434.db2.gz QCHZRRXKBIULQA-UHFFFAOYSA-N 0 1 258.350 2.999 20 30 CFEDMN FC(F)(F)c1cccc(N=NC2CN3C[C@@H]2CCC3)n1 ZINC000863095176 637553637 /nfs/dbraw/zinc/55/36/37/637553637.db2.gz AAHUHLJILHYJKT-VIFPVBQESA-N 0 1 284.285 2.594 20 30 CFEDMN CCCC(=NNC1=NC[C@H](C)N1)c1cc(C)sc1C ZINC000863104973 637555834 /nfs/dbraw/zinc/55/58/34/637555834.db2.gz HUULXLMOQBGEHM-VIFPVBQESA-N 0 1 278.425 2.806 20 30 CFEDMN COc1ccc(C=NNc2ccncc2C)cc1OC1CC1 ZINC000863157427 637571493 /nfs/dbraw/zinc/57/14/93/637571493.db2.gz AGXVEUWVXHWYRO-UHFFFAOYSA-N 0 1 297.358 2.808 20 30 CFEDMN C[C@H]1CN(C)CC1N=Nc1cccc(F)c1Cl ZINC000863158712 637572661 /nfs/dbraw/zinc/57/26/61/637572661.db2.gz MWGLHRVYLAQSMW-QMMMGPOBSA-N 0 1 255.724 2.829 20 30 CFEDMN C=CCN1CCN(CN2CCC[C@@H](C/C=C\C)C2)C1=O ZINC000863340359 637631243 /nfs/dbraw/zinc/63/12/43/637631243.db2.gz KDPPMYFZYDIJTF-UYWPIULCSA-N 0 1 277.412 2.546 20 30 CFEDMN C=CCN1CCN(CN2CCC[C@H](C/C=C/C)C2)C1=O ZINC000863340356 637631424 /nfs/dbraw/zinc/63/14/24/637631424.db2.gz KDPPMYFZYDIJTF-UJAVWCLSSA-N 0 1 277.412 2.546 20 30 CFEDMN C#CCOc1ccc(CN2C[C@@H](C)OC(C)(C)C2)cc1 ZINC000119534596 637704485 /nfs/dbraw/zinc/70/44/85/637704485.db2.gz VZCGJKCBTZVUPY-CQSZACIVSA-N 0 1 273.376 2.698 20 30 CFEDMN C=C(C)C[C@@H]([NH2+]Cc1c[nH]c(-c2ccccc2)n1)C(=O)[O-] ZINC000864530029 638013114 /nfs/dbraw/zinc/01/31/14/638013114.db2.gz QVLNRERRASVCRR-CQSZACIVSA-N 0 1 285.347 2.586 20 30 CFEDMN C=C(C)C[C@@H]([NH2+]Cc1nc2c(s1)CCCC2)C(=O)[O-] ZINC000864529573 638013689 /nfs/dbraw/zinc/01/36/89/638013689.db2.gz JYMHREOQAASVPQ-LLVKDONJSA-N 0 1 280.393 2.531 20 30 CFEDMN C=C(C)C[C@@H]([NH2+]Cc1coc(-c2ccccc2)n1)C(=O)[O-] ZINC000864529735 638013856 /nfs/dbraw/zinc/01/38/56/638013856.db2.gz LQQLRCOGRFVPPH-CQSZACIVSA-N 0 1 286.331 2.851 20 30 CFEDMN C=C(C)C[N@H+](Cc1cn(C)nc1C(=O)[O-])Cc1ccccc1 ZINC000864785476 638092013 /nfs/dbraw/zinc/09/20/13/638092013.db2.gz DKJIFTPALDAOEK-UHFFFAOYSA-N 0 1 299.374 2.697 20 30 CFEDMN C#CCN1CCC(N(C)C(=O)[C@H](C)c2ccccc2C)CC1 ZINC001006435879 650402035 /nfs/dbraw/zinc/40/20/35/650402035.db2.gz UEUFNSHBTWWAFM-MRXNPFEDSA-N 0 1 298.430 2.655 20 30 CFEDMN CCCCCCNC(=O)C(C#N)C(=O)CC1CCC1 ZINC000076818426 650406003 /nfs/dbraw/zinc/40/60/03/650406003.db2.gz SUZVPWONDRJYJS-CYBMUJFWSA-N 0 1 264.369 2.582 20 30 CFEDMN COCC(C)(C)CNc1nc2ccc(C#N)cc2[nH]1 ZINC000865295903 638262601 /nfs/dbraw/zinc/26/26/01/638262601.db2.gz MSVQRLMTYSEKBU-UHFFFAOYSA-N 0 1 258.325 2.519 20 30 CFEDMN C=CCOCSc1nc2ccc(OC)cc2[nH]1 ZINC000865336395 638271239 /nfs/dbraw/zinc/27/12/39/638271239.db2.gz SVIFBGRFYJARFD-UHFFFAOYSA-N 0 1 250.323 2.824 20 30 CFEDMN Cc1cc(CNCc2cc(C#N)ccc2N(C)C)cc(C)n1 ZINC000865606082 638454528 /nfs/dbraw/zinc/45/45/28/638454528.db2.gz OWPMTHQMESIHSF-UHFFFAOYSA-N 0 1 294.402 2.926 20 30 CFEDMN C[C@](CO)(Cc1ccc(F)cc1)NCc1ccccc1C#N ZINC000865715652 638531223 /nfs/dbraw/zinc/53/12/23/638531223.db2.gz WTVJSZULRPDXPT-GOSISDBHSA-N 0 1 298.361 2.781 20 30 CFEDMN CN(C)c1ccc(C#N)cc1CN[C@@H]1C[C@H]1C(F)(F)F ZINC000865753661 638553675 /nfs/dbraw/zinc/55/36/75/638553675.db2.gz LOEGBJZSOUOECQ-VXGBXAGGSA-N 0 1 283.297 2.665 20 30 CFEDMN N#CC(C(=O)[C@H]1CCOc2ccccc21)c1ccccn1 ZINC000077559219 650431944 /nfs/dbraw/zinc/43/19/44/650431944.db2.gz LJQZJENGBNECGX-KBPBESRZSA-N 0 1 278.311 2.824 20 30 CFEDMN N#Cc1csc(CNCCSCCC(F)(F)F)n1 ZINC000865788422 638576083 /nfs/dbraw/zinc/57/60/83/638576083.db2.gz QHBYCSYZOKOVGL-UHFFFAOYSA-N 0 1 295.355 2.790 20 30 CFEDMN C#CCN(Cc1ccc(F)cc1)C[C@H]1CC[C@H](C)O1 ZINC000190455802 650434722 /nfs/dbraw/zinc/43/47/22/650434722.db2.gz IAUISQCNSASYRN-XJKSGUPXSA-N 0 1 261.340 2.828 20 30 CFEDMN C[C@@H]([NH2+]C1CCN(CC2CC2)CC1)c1cccc(C#N)c1[O-] ZINC000866239175 638777377 /nfs/dbraw/zinc/77/73/77/638777377.db2.gz RJTHMAXNYLKKMX-CYBMUJFWSA-N 0 1 299.418 2.789 20 30 CFEDMN CCOC(=O)C1(C)CC(NCc2cc(C#N)ccc2F)C1 ZINC000866302380 638792301 /nfs/dbraw/zinc/79/23/01/638792301.db2.gz CCRBKFHKHXQITE-UHFFFAOYSA-N 0 1 290.338 2.519 20 30 CFEDMN C[C@@H](N[C@@H](C)C(F)(F)F)c1cccc(C#N)c1O ZINC000866358538 638803538 /nfs/dbraw/zinc/80/35/38/638803538.db2.gz JKWLUMXOFNUNGW-SFYZADRCSA-N 0 1 258.243 2.865 20 30 CFEDMN C[C@H](N[C@@H](C)c1cccc(C#N)c1O)c1csnn1 ZINC000866374811 638808772 /nfs/dbraw/zinc/80/87/72/638808772.db2.gz NZAXEUZHQXTPSH-IUCAKERBSA-N 0 1 274.349 2.527 20 30 CFEDMN C#CCOc1ccc([C@H](C)N[C@@H](C)c2ccnn2C)cc1 ZINC000866612441 638854219 /nfs/dbraw/zinc/85/42/19/638854219.db2.gz IYWPLJLDUWATOJ-KBPBESRZSA-N 0 1 283.375 2.844 20 30 CFEDMN C[C@@H](N[C@@H]1CCc2ccc(C#N)cc21)c1ccnn1C ZINC000866616136 638855388 /nfs/dbraw/zinc/85/53/88/638855388.db2.gz YVZJUFJRXWDCIK-IAQYHMDHSA-N 0 1 266.348 2.630 20 30 CFEDMN CCCCC[C@H](C)NC(=O)[C@@H]1NCCc2cc(C#N)ccc21 ZINC000867943001 638907350 /nfs/dbraw/zinc/90/73/50/638907350.db2.gz JBUMKSJEAIYGBZ-SUMWQHHRSA-N 0 1 299.418 2.830 20 30 CFEDMN CC[C@H](C)C[C@@H](C)NC(=O)[C@H]1NCCc2cc(C#N)ccc21 ZINC000867953196 638908666 /nfs/dbraw/zinc/90/86/66/638908666.db2.gz PPJIHLYWUSMAJH-AHIWAGSCSA-N 0 1 299.418 2.686 20 30 CFEDMN CCC(C)(C)[C@@H](C)NC(=O)[C@@H]1NCCc2cc(C#N)ccc21 ZINC000867984758 638911268 /nfs/dbraw/zinc/91/12/68/638911268.db2.gz SABBLKDTCBNMAT-MLGOLLRUSA-N 0 1 299.418 2.686 20 30 CFEDMN C#CCN1CCC(N(C)C(=O)[C@H]2C[C@H](C)C[C@H](C)C2)CC1 ZINC001006452352 650466674 /nfs/dbraw/zinc/46/66/74/650466674.db2.gz SKESAQOOEBXCMH-ZSHCYNCHSA-N 0 1 290.451 2.615 20 30 CFEDMN N#CC(C(=O)Cc1ccoc1)c1nc2ccccc2[nH]1 ZINC000122694714 639338937 /nfs/dbraw/zinc/33/89/37/639338937.db2.gz POYSEXCWNMYEDU-LLVKDONJSA-N 0 1 265.272 2.575 20 30 CFEDMN CCCCCNC(=O)C(C#N)C(=O)[C@@H]1C[C@H]1C(C)(C)C ZINC000870134589 639527365 /nfs/dbraw/zinc/52/73/65/639527365.db2.gz NAVWUAMLDUZHIB-JHJVBQTASA-N 0 1 278.396 2.684 20 30 CFEDMN CC(C)(C)[C@@H]1C[C@H]1C(=O)C(C#N)C(=O)NCc1ccccc1 ZINC000870137282 639527471 /nfs/dbraw/zinc/52/74/71/639527471.db2.gz YCNLRZNZELMAJZ-QLFBSQMISA-N 0 1 298.386 2.694 20 30 CFEDMN CCCCCNC(=O)C(C#N)C(=O)[C@@H]1C[C@H]1C(C)(C)C ZINC000870134588 639527983 /nfs/dbraw/zinc/52/79/83/639527983.db2.gz NAVWUAMLDUZHIB-FRRDWIJNSA-N 0 1 278.396 2.684 20 30 CFEDMN C#CCOc1ccccc1CNCc1cncc(C)c1 ZINC000123044625 639590416 /nfs/dbraw/zinc/59/04/16/639590416.db2.gz LBOLBBQEQOQKLN-UHFFFAOYSA-N 0 1 266.344 2.692 20 30 CFEDMN C=CC[C@H](C)NC(=O)[C@@H](N)c1cccc(Br)c1 ZINC000870888398 641107837 /nfs/dbraw/zinc/10/78/37/641107837.db2.gz GAKLTQIUCXWCDW-CABZTGNLSA-N 0 1 297.196 2.530 20 30 CFEDMN N#Cc1ccc2nc(NC(=O)[C@@]34C[C@@H]3CCCC4)[nH]c2c1 ZINC000871070779 641184952 /nfs/dbraw/zinc/18/49/52/641184952.db2.gz COULGBNVJCNLCJ-ZBEGNZNMSA-N 0 1 280.331 2.953 20 30 CFEDMN CO[C@@H]1CCCC[C@@H]1C(=O)Nc1nc2ccc(C#N)cc2[nH]1 ZINC000871071790 641185082 /nfs/dbraw/zinc/18/50/82/641185082.db2.gz FENCRWSRPOOWRC-SMDDNHRTSA-N 0 1 298.346 2.578 20 30 CFEDMN N#Cc1ccc2nc(NC(=O)C3=CCCCC3)[nH]c2c1 ZINC000871072182 641186367 /nfs/dbraw/zinc/18/63/67/641186367.db2.gz JCPZLHPIKGUQSL-UHFFFAOYSA-N 0 1 266.304 2.873 20 30 CFEDMN C=CC(C)(C)CCCNC(=O)NCCCc1cn[nH]c1C ZINC000871624734 641371332 /nfs/dbraw/zinc/37/13/32/641371332.db2.gz DXMCWFQPKKVKNA-UHFFFAOYSA-N 0 1 292.427 2.942 20 30 CFEDMN Cc1csc([C@H](C)NC[C@H](O)c2ccc(C#N)cc2)n1 ZINC000080313837 650662970 /nfs/dbraw/zinc/66/29/70/650662970.db2.gz DSLBAGODWKEADO-FZMZJTMJSA-N 0 1 287.388 2.707 20 30 CFEDMN COc1ncccc1CN[C@H](C)c1ccc(OCC#N)cc1 ZINC000193526996 650666148 /nfs/dbraw/zinc/66/61/48/650666148.db2.gz XZJCTQVGJWRKOD-CYBMUJFWSA-N 0 1 297.358 2.843 20 30 CFEDMN C=CCCOCCN[C@@H](C)c1cccc(O)c1F ZINC000872052430 641586031 /nfs/dbraw/zinc/58/60/31/641586031.db2.gz RVBUNFGLEBOLAD-NSHDSACASA-N 0 1 253.317 2.775 20 30 CFEDMN C=C[C@H](CO)N[C@H](C)c1cc([N+](=O)[O-])ccc1SC ZINC000872089005 641622492 /nfs/dbraw/zinc/62/24/92/641622492.db2.gz SKJPWTOOHWCCPU-NXEZZACHSA-N 0 1 282.365 2.514 20 30 CFEDMN Fc1ccc(N=NCc2ccnn2CC2CCC2)nc1 ZINC000872350374 641762914 /nfs/dbraw/zinc/76/29/14/641762914.db2.gz QNDKRUDTNLSTJV-UHFFFAOYSA-N 0 1 273.315 2.663 20 30 CFEDMN C[C@H]1CN=C(NN=C2CC(C)(C)Sc3ccccc32)N1 ZINC000872364499 641770017 /nfs/dbraw/zinc/77/00/17/641770017.db2.gz MLTUNCGOKPEVNX-JTQLQIEISA-N 0 1 288.420 2.602 20 30 CFEDMN Cn1ccnc1NN=C1CCCc2c(F)cccc21 ZINC000872370235 641775776 /nfs/dbraw/zinc/77/57/76/641775776.db2.gz VRSUEURCAPADHF-UHFFFAOYSA-N 0 1 258.300 2.712 20 30 CFEDMN Cc1cc(N=NC2CCCc3ccc(F)cc32)nc(N)n1 ZINC000872421076 641806520 /nfs/dbraw/zinc/80/65/20/641806520.db2.gz XKRHEPQXGMZTJB-UHFFFAOYSA-N 0 1 285.326 2.659 20 30 CFEDMN C=CCCCN(C)CN1C[C@](C)(c2ccccc2F)C1=O ZINC000872580235 641863301 /nfs/dbraw/zinc/86/33/01/641863301.db2.gz PVIZYDACCRWHAX-QGZVFWFLSA-N 0 1 290.382 2.781 20 30 CFEDMN CC(C)c1cc([C@H]2CCCN(c3cnc(C#N)cn3)C2)[nH]n1 ZINC000872649265 641886707 /nfs/dbraw/zinc/88/67/07/641886707.db2.gz VVPLQBVBZOKATJ-LBPRGKRZSA-N 0 1 296.378 2.579 20 30 CFEDMN N#Cc1c(F)cccc1CNCC1SCCS1 ZINC000873139023 642027317 /nfs/dbraw/zinc/02/73/17/642027317.db2.gz QZMHKKKYJAPPTL-UHFFFAOYSA-N 0 1 268.382 2.593 20 30 CFEDMN C=CCCC(=O)COC(=O)c1c2cn[nH]c2ccc1C ZINC000873487903 642218854 /nfs/dbraw/zinc/21/88/54/642218854.db2.gz DFJWKYIHCJGCMY-UHFFFAOYSA-N 0 1 272.304 2.563 20 30 CFEDMN Cc1ccc(N(CCC#N)C(=O)[C@@H]2C[C@H]2c2cnc[nH]2)cc1 ZINC000874246608 642356143 /nfs/dbraw/zinc/35/61/43/642356143.db2.gz RQAGSWYFFVVBIY-HUUCEWRRSA-N 0 1 294.358 2.769 20 30 CFEDMN Cc1ccc([N+](=O)[O-])c(C)c1CN1CCC(C#N)CC1 ZINC000876653984 642959987 /nfs/dbraw/zinc/95/99/87/642959987.db2.gz XEWFBYNMHYPXSO-UHFFFAOYSA-N 0 1 273.336 2.947 20 30 CFEDMN C=CC[C@@H](C)NC(=O)[C@H](N)c1cccc(C(F)(F)F)c1 ZINC000876671328 642966578 /nfs/dbraw/zinc/96/65/78/642966578.db2.gz MKLAGAKAWXCMKB-BXKDBHETSA-N 0 1 286.297 2.786 20 30 CFEDMN N#CCN(Cc1ccc(F)c(F)c1O)C1CCCC1 ZINC000876755168 642996008 /nfs/dbraw/zinc/99/60/08/642996008.db2.gz KXYSMEVLETXBBS-UHFFFAOYSA-N 0 1 266.291 2.939 20 30 CFEDMN C[C@@H](C#N)Oc1ccc(CN2CCSCC2)cc1 ZINC000126187431 643027833 /nfs/dbraw/zinc/02/78/33/643027833.db2.gz HHPIWJSALAYFOD-LBPRGKRZSA-N 0 1 262.378 2.526 20 30 CFEDMN N#Cc1ccc(O)c(NC(=O)Cc2c(F)cccc2F)c1 ZINC000088401193 650812009 /nfs/dbraw/zinc/81/20/09/650812009.db2.gz SHDIJRSCDKREQN-UHFFFAOYSA-N 0 1 288.253 2.723 20 30 CFEDMN Cc1nc2c(s1)[C@@H](NCc1cccc(C#N)n1)CCC2 ZINC000877181573 643192657 /nfs/dbraw/zinc/19/26/57/643192657.db2.gz DGLONRWMKDFGIR-ZDUSSCGKSA-N 0 1 284.388 2.885 20 30 CFEDMN N#CCC1CCN(Cc2cc3c(cc[nH]c3=O)o2)CC1 ZINC000877191535 643197518 /nfs/dbraw/zinc/19/75/18/643197518.db2.gz ZBWYRRDLFILRDC-UHFFFAOYSA-N 0 1 271.320 2.659 20 30 CFEDMN CCC[C@@]1(CO)CCCN1Cc1cc(C#N)cnc1Cl ZINC000877479885 643297197 /nfs/dbraw/zinc/29/71/97/643297197.db2.gz HJPOJGHJQYOURR-HNNXBMFYSA-N 0 1 293.798 2.734 20 30 CFEDMN C#CCn1ccc(CN(CC)CCC(C)(C)SC)n1 ZINC000877485260 643300793 /nfs/dbraw/zinc/30/07/93/643300793.db2.gz ODDTXYLSFFZSBP-UHFFFAOYSA-N 0 1 279.453 2.870 20 30 CFEDMN C#C[C@@H](NCc1c(C(F)(F)F)nc2n1CCCC2)C(C)C ZINC000877513502 643320348 /nfs/dbraw/zinc/32/03/48/643320348.db2.gz XHBZEUFQCVUYLY-LLVKDONJSA-N 0 1 299.340 2.986 20 30 CFEDMN C#CCCCCCCN1C[C@H](C)[S@@](=O)[C@@H](CC)C1 ZINC000877519656 643323791 /nfs/dbraw/zinc/32/37/91/643323791.db2.gz YZVSFSACBBUABX-RLFYNMQTSA-N 0 1 269.454 2.802 20 30 CFEDMN C#CCCCCCCNC(C)(C)c1cc(C(=O)OC)on1 ZINC000877540421 643342213 /nfs/dbraw/zinc/34/22/13/643342213.db2.gz YPKIBTSBMSLIIJ-UHFFFAOYSA-N 0 1 292.379 2.870 20 30 CFEDMN CC[C@@H](C)[C@@H](CNCc1cc(C#N)cnc1Cl)OC ZINC000877559523 643360109 /nfs/dbraw/zinc/36/01/09/643360109.db2.gz YBFITSFHWHHCNU-ZWNOBZJWSA-N 0 1 281.787 2.757 20 30 CFEDMN CC[C@](C)(CNCc1cc(C#N)cnc1Cl)OC ZINC000877564767 643363638 /nfs/dbraw/zinc/36/36/38/643363638.db2.gz LAFLTVMFZRNWQP-CYBMUJFWSA-N 0 1 267.760 2.511 20 30 CFEDMN COC1([C@H](C)NCc2cc(C#N)cnc2Cl)CCC1 ZINC000877591316 643385017 /nfs/dbraw/zinc/38/50/17/643385017.db2.gz SLERXIAODSLCKF-JTQLQIEISA-N 0 1 279.771 2.654 20 30 CFEDMN C#CC[C@H]1CCN(Cc2ccncc2Br)C1 ZINC000877649816 643430653 /nfs/dbraw/zinc/43/06/53/643430653.db2.gz JPSLYHVPYPLNHE-NSHDSACASA-N 0 1 279.181 2.689 20 30 CFEDMN COc1ccc(CN2CCC(C(C)(C)O)CC2)cc1C#N ZINC000877754035 643533083 /nfs/dbraw/zinc/53/30/83/643533083.db2.gz RTLZLWDFFAZKSD-UHFFFAOYSA-N 0 1 288.391 2.550 20 30 CFEDMN N#Cc1cnc(Cl)c(CNCC[C@@H](O)C2CCCC2)c1 ZINC000877779495 643555083 /nfs/dbraw/zinc/55/50/83/643555083.db2.gz WWFSWTZBAUVBQV-CQSZACIVSA-N 0 1 293.798 2.637 20 30 CFEDMN C#CCCCCCN1CCN(c2nc(C)cs2)CC1 ZINC000877964880 643667000 /nfs/dbraw/zinc/66/70/00/643667000.db2.gz OBKQXOHZAMUFBT-UHFFFAOYSA-N 0 1 277.437 2.767 20 30 CFEDMN C=CC[C@@H](C)N1CCN(C(=O)c2ccc(F)cc2F)CC1 ZINC000878038941 643706735 /nfs/dbraw/zinc/70/67/35/643706735.db2.gz UOWKWFCJHCBAHI-GFCCVEGCSA-N 0 1 294.345 2.687 20 30 CFEDMN C#Cc1cccc(NC(=O)[C@@H]2c3cn[nH]c3CC[C@H]2C)c1 ZINC000878052726 643715218 /nfs/dbraw/zinc/71/52/18/643715218.db2.gz XONVDDWEQWMIHF-BZNIZROVSA-N 0 1 279.343 2.696 20 30 CFEDMN C=CCc1cc(CN2C[C@H](C)OC[C@@H]2C)c(O)c(OC)c1 ZINC000246234838 650862104 /nfs/dbraw/zinc/86/21/04/650862104.db2.gz FYURKUPDGKSUEE-STQMWFEESA-N 0 1 291.391 2.739 20 30 CFEDMN N#CCCN(CCCOC(F)(F)F)CC1CC1 ZINC000878159642 643768083 /nfs/dbraw/zinc/76/80/83/643768083.db2.gz QABUFUQDCPDIEC-UHFFFAOYSA-N 0 1 250.264 2.539 20 30 CFEDMN C=CC[C@@H](C)N1CCN([C@@H](C)C(F)(F)F)CC1 ZINC000878167239 643774092 /nfs/dbraw/zinc/77/40/92/643774092.db2.gz CMJLQRHRFKXHOS-MNOVXSKESA-N 0 1 250.308 2.519 20 30 CFEDMN C=CC[C@@H](C)N(C)CC(=O)Nc1cc(F)cc(F)c1 ZINC000878233554 643802908 /nfs/dbraw/zinc/80/29/08/643802908.db2.gz NDXRDCHGGPHHOC-SNVBAGLBSA-N 0 1 268.307 2.800 20 30 CFEDMN C#CCCCCC[N@H+]1CCN(CC(F)(F)F)[C@@H](C)C1 ZINC000878325798 643841043 /nfs/dbraw/zinc/84/10/43/643841043.db2.gz ROLNZDPCAFMGSP-ZDUSSCGKSA-N 0 1 276.346 2.748 20 30 CFEDMN C#CCCCCCN1CCN(CC(F)(F)F)[C@@H](C)C1 ZINC000878325798 643841046 /nfs/dbraw/zinc/84/10/46/643841046.db2.gz ROLNZDPCAFMGSP-ZDUSSCGKSA-N 0 1 276.346 2.748 20 30 CFEDMN Cc1cc(C2CCN(Cc3ccc(C#N)o3)CC2)n[nH]1 ZINC000878338958 643849410 /nfs/dbraw/zinc/84/94/10/643849410.db2.gz FGQAOVHWCMZZER-UHFFFAOYSA-N 0 1 270.336 2.562 20 30 CFEDMN Cc1cc(C2CCN(Cc3ccc(C#N)o3)CC2)[nH]n1 ZINC000878338958 643849415 /nfs/dbraw/zinc/84/94/15/643849415.db2.gz FGQAOVHWCMZZER-UHFFFAOYSA-N 0 1 270.336 2.562 20 30 CFEDMN N#CC(C(=O)[C@H]1[C@@H]2CCCC[C@@H]21)c1nnc2n1CCCCC2 ZINC000246600009 650875797 /nfs/dbraw/zinc/87/57/97/650875797.db2.gz VUSAKOJZXPMCTA-SFDCQRBFSA-N 0 1 298.390 2.617 20 30 CFEDMN C=C(C)CN1CCC[C@@H](NC(=O)c2ccoc2CC)C1 ZINC001007244029 650873727 /nfs/dbraw/zinc/87/37/27/650873727.db2.gz UHCUFRDPKWJIRT-CYBMUJFWSA-N 0 1 276.380 2.612 20 30 CFEDMN C#C[C@H](C)[N@H+](C)Cc1cnc(OC)c2ccccc12 ZINC000878517300 643924273 /nfs/dbraw/zinc/92/42/73/643924273.db2.gz OQXRZHJKJQUMLP-LBPRGKRZSA-N 0 1 254.333 2.697 20 30 CFEDMN C=C[C@@H]1OCCC[C@H]1NCc1scnc1Cl ZINC000878680706 643988998 /nfs/dbraw/zinc/98/89/98/643988998.db2.gz SGPWYLJABUPQHX-BDAKNGLRSA-N 0 1 258.774 2.620 20 30 CFEDMN COC(=O)c1cc(CN2CCC[C@H](CC#N)C2)ccc1C ZINC000878886831 644061768 /nfs/dbraw/zinc/06/17/68/644061768.db2.gz PUSGRXWTDGYTLM-CQSZACIVSA-N 0 1 286.375 2.907 20 30 CFEDMN Cc1c(C#N)cccc1NC(=O)[C@@H]1c2cn[nH]c2CC[C@@H]1C ZINC000879218777 644180009 /nfs/dbraw/zinc/18/00/09/644180009.db2.gz RKBJHWAHSUZQIQ-QFYYESIMSA-N 0 1 294.358 2.894 20 30 CFEDMN C[C@H]1C[C@@H](NC(=O)OC(C)(C)C)C[N@H+]1CC1(CC#N)CC1 ZINC000879222270 644181097 /nfs/dbraw/zinc/18/10/97/644181097.db2.gz HHVHJRXSLKVXQV-QWHCGFSZSA-N 0 1 293.411 2.668 20 30 CFEDMN C[C@H]1C[C@@H](NC(=O)OC(C)(C)C)CN1CC1(CC#N)CC1 ZINC000879222270 644181099 /nfs/dbraw/zinc/18/10/99/644181099.db2.gz HHVHJRXSLKVXQV-QWHCGFSZSA-N 0 1 293.411 2.668 20 30 CFEDMN C=CCCC[C@@H](C(=O)NCCN1CCC1)c1ccccc1 ZINC000879271011 644202720 /nfs/dbraw/zinc/20/27/20/644202720.db2.gz USXOBYLJOIZTKJ-QGZVFWFLSA-N 0 1 286.419 2.948 20 30 CFEDMN CN(CC[C@@H](O)c1ccccc1)[C@@H]1CCC[C@@H]1C#N ZINC000879308561 644217533 /nfs/dbraw/zinc/21/75/33/644217533.db2.gz CRSMHUVYUCEKJL-BZUAXINKSA-N 0 1 258.365 2.734 20 30 CFEDMN Cc1oncc1CN(C)CCc1cccc(C#N)c1 ZINC000879433103 644270672 /nfs/dbraw/zinc/27/06/72/644270672.db2.gz PDQZNSAJKCHBJC-UHFFFAOYSA-N 0 1 255.321 2.529 20 30 CFEDMN C=CC[C@H](C(=O)OC)N1CCC[C@@H](OC2CCC2)CC1 ZINC000879472211 644282663 /nfs/dbraw/zinc/28/26/63/644282663.db2.gz TVNKIEQBLWTBFW-HUUCEWRRSA-N 0 1 281.396 2.528 20 30 CFEDMN C[C@H](NCC#Cc1ccccc1Cl)c1ccnn1C ZINC000879686029 644379860 /nfs/dbraw/zinc/37/98/60/644379860.db2.gz QSMANWZRITWYSP-LBPRGKRZSA-N 0 1 273.767 2.776 20 30 CFEDMN N#Cc1ccc(CCN2CCO[C@H](C(F)(F)F)CC2)cc1 ZINC000880049943 644513225 /nfs/dbraw/zinc/51/32/25/644513225.db2.gz CXCGFEBIDHLTLB-AWEZNQCLSA-N 0 1 298.308 2.754 20 30 CFEDMN C[C@@H]1CN(CCC(C)(C)C#N)CC[C@H](C(F)(F)F)O1 ZINC000880063374 644519016 /nfs/dbraw/zinc/51/90/16/644519016.db2.gz ZZYHULBSVKEBRF-GHMZBOCLSA-N 0 1 278.318 2.968 20 30 CFEDMN C=C(C)CCN1C[C@H]2CC[C@@H](C1)N2C(=O)c1ccoc1C ZINC001017336275 650934847 /nfs/dbraw/zinc/93/48/47/650934847.db2.gz BCPMXSQESNZUFL-GASCZTMLSA-N 0 1 288.391 2.843 20 30 CFEDMN COC(=O)c1ccc2c(c1)CCN(CC1(CC#N)CC1)C2 ZINC000880351132 644662887 /nfs/dbraw/zinc/66/28/87/644662887.db2.gz PNTHQUHQBKRKIV-UHFFFAOYSA-N 0 1 284.359 2.525 20 30 CFEDMN C[C@H](C#N)Oc1ccc(CN(C)Cc2cccn2C)cc1 ZINC000093584508 650943499 /nfs/dbraw/zinc/94/34/99/650943499.db2.gz JORWIVMITBZDIK-CQSZACIVSA-N 0 1 283.375 2.948 20 30 CFEDMN C#CCC1(O)CCN(CC#Cc2ccc(Cl)cc2)CC1 ZINC000880480408 644730826 /nfs/dbraw/zinc/73/08/26/644730826.db2.gz RWGBKLKFNZNYPN-UHFFFAOYSA-N 0 1 287.790 2.542 20 30 CFEDMN CN(CC(=O)Nc1ccc(C2CC2)c(C#N)c1)C1CCC1 ZINC000882309722 645276163 /nfs/dbraw/zinc/27/61/63/645276163.db2.gz KMAFBDPVLGXJSZ-UHFFFAOYSA-N 0 1 283.375 2.858 20 30 CFEDMN CC(=NNC(=N)N)c1ccc(-c2ccccc2)cc1 ZINC000252448148 651005873 /nfs/dbraw/zinc/00/58/73/651005873.db2.gz SMUAPSJEIPIRBW-UHFFFAOYSA-N 0 1 252.321 2.561 20 30 CFEDMN C#CCOc1ccc(CN[C@@H](CO)c2ccccc2)cc1 ZINC000304246805 651017335 /nfs/dbraw/zinc/01/73/35/651017335.db2.gz VWGHMUXBQBURNB-SFHVURJKSA-N 0 1 281.355 2.522 20 30 CFEDMN C#Cc1ccc(CNCc2cnn(C(C)(C)C)c2)cc1 ZINC000883132475 645618911 /nfs/dbraw/zinc/61/89/11/645618911.db2.gz SBIRXYFJMFKVNG-UHFFFAOYSA-N 0 1 267.376 2.909 20 30 CFEDMN C#Cc1ccc(CNCc2ccnn2C(C)C)cc1 ZINC000883132590 645619398 /nfs/dbraw/zinc/61/93/98/645619398.db2.gz XGSXZVSAFRIJCX-UHFFFAOYSA-N 0 1 253.349 2.735 20 30 CFEDMN C=CCC[C@H](NCc1nccs1)[C@@H]1CCCO1 ZINC000883175052 645641075 /nfs/dbraw/zinc/64/10/75/645641075.db2.gz YCLPWLJEUTXQMP-RYUDHWBXSA-N 0 1 252.383 2.747 20 30 CFEDMN C=CCC[C@H](NCc1ncccn1)[C@H]1Cc2ccccc2O1 ZINC000883235505 645684478 /nfs/dbraw/zinc/68/44/78/645684478.db2.gz FDLYKDDAOFWAAU-DOTOQJQBSA-N 0 1 295.386 2.905 20 30 CFEDMN N#C[C@@H]1CC[C@@H](NCc2cc(O)ccc2Cl)C1 ZINC000883325575 645741106 /nfs/dbraw/zinc/74/11/06/645741106.db2.gz FLHOJNGIGIAEEV-MWLCHTKSSA-N 0 1 250.729 2.827 20 30 CFEDMN C=CCC[C@@H](N[C@@H]1CC(=O)N(CC2CC2)C1)c1ccco1 ZINC000883395015 645792931 /nfs/dbraw/zinc/79/29/31/645792931.db2.gz LNPIYPMETLHYAH-HUUCEWRRSA-N 0 1 288.391 2.887 20 30 CFEDMN C=C(C)C[C@H](CO)NCc1nccc(C)c1Br ZINC000883399798 645795708 /nfs/dbraw/zinc/79/57/08/645795708.db2.gz VUQBUHHVBUCCOO-LLVKDONJSA-N 0 1 299.212 2.569 20 30 CFEDMN C=C(C)C[C@H](CO)NCc1coc(-c2ccccc2)n1 ZINC000883400674 645797243 /nfs/dbraw/zinc/79/72/43/645797243.db2.gz SGGYFBKEEHVCHZ-CQSZACIVSA-N 0 1 272.348 2.758 20 30 CFEDMN C#CCN(Cc1cc(OC)ccc1OC)C(C)(C)C ZINC000132348041 645909529 /nfs/dbraw/zinc/90/95/29/645909529.db2.gz POXNQTKDXHVYBX-UHFFFAOYSA-N 0 1 261.365 2.938 20 30 CFEDMN CC(C)C(N)=NOCc1csc(Br)c1 ZINC000133679601 646204044 /nfs/dbraw/zinc/20/40/44/646204044.db2.gz ZLMZPYXOOJURPF-UHFFFAOYSA-N 0 1 277.187 2.955 20 30 CFEDMN C=CC[C@H](C)NC(=O)[C@H](N)c1ccc(Br)cc1 ZINC000884145341 646236074 /nfs/dbraw/zinc/23/60/74/646236074.db2.gz IDJOTCUDZAXKKS-JOYOIKCWSA-N 0 1 297.196 2.530 20 30 CFEDMN Cc1nc(C2CCN(c3ccc(C#N)c(C)n3)CC2)[nH]c1C ZINC000884706537 646535206 /nfs/dbraw/zinc/53/52/06/646535206.db2.gz GIMKABJQIMLMHO-UHFFFAOYSA-N 0 1 295.390 2.986 20 30 CFEDMN C=CCn1ncc2ccc(NC(=O)C3(N(C)C)CCC3)cc21 ZINC000885573709 646709760 /nfs/dbraw/zinc/70/97/60/646709760.db2.gz PWKCMAUZVVBPPL-UHFFFAOYSA-N 0 1 298.390 2.645 20 30 CFEDMN CN(Cc1ccc(Cl)nc1)C[C@@H](O)CC1(C#N)CCC1 ZINC000886032171 646829876 /nfs/dbraw/zinc/82/98/76/646829876.db2.gz ALPNBCXDRWOWCU-ZDUSSCGKSA-N 0 1 293.798 2.612 20 30 CFEDMN CC[C@](C)(NC[C@H](O)CC1(C#N)CCC1)c1nccs1 ZINC000886069306 646852472 /nfs/dbraw/zinc/85/24/72/646852472.db2.gz FULAQAGDGQWAKM-OCCSQVGLSA-N 0 1 293.436 2.803 20 30 CFEDMN N#CC1(C[C@@H](O)CN2CC=C(C(F)(F)F)CC2)CCC1 ZINC000886085537 646859467 /nfs/dbraw/zinc/85/94/67/646859467.db2.gz AELVAQFSKLPBJS-GFCCVEGCSA-N 0 1 288.313 2.626 20 30 CFEDMN Cc1cnc([C@@H](C)NC[C@@H](O)CC2(C#N)CCC2)s1 ZINC000886131626 646887469 /nfs/dbraw/zinc/88/74/69/646887469.db2.gz CIMMNRPVMTUIBT-NEPJUHHUSA-N 0 1 279.409 2.547 20 30 CFEDMN C#CC[C@H]1CC[N@@H+](Cc2nc(-c3cccs3)no2)C1 ZINC000886354054 646983163 /nfs/dbraw/zinc/98/31/63/646983163.db2.gz VDPVXTMPONIIFZ-NSHDSACASA-N 0 1 273.361 2.643 20 30 CFEDMN C#CC[C@H]1CCN(Cc2nc(-c3cccs3)no2)C1 ZINC000886354054 646983164 /nfs/dbraw/zinc/98/31/64/646983164.db2.gz VDPVXTMPONIIFZ-NSHDSACASA-N 0 1 273.361 2.643 20 30 CFEDMN C#CC[C@@H]1CC[N@@H+](Cc2nc(-c3cccs3)no2)C1 ZINC000886354053 646983232 /nfs/dbraw/zinc/98/32/32/646983232.db2.gz VDPVXTMPONIIFZ-LLVKDONJSA-N 0 1 273.361 2.643 20 30 CFEDMN C#CC[C@@H]1CCN(Cc2nc(-c3cccs3)no2)C1 ZINC000886354053 646983235 /nfs/dbraw/zinc/98/32/35/646983235.db2.gz VDPVXTMPONIIFZ-LLVKDONJSA-N 0 1 273.361 2.643 20 30 CFEDMN C#CC[C@@H]1CC[N@H+](CC(=O)N(CC)C2CCCCC2)C1 ZINC000886353400 646983463 /nfs/dbraw/zinc/98/34/63/646983463.db2.gz IOMRZVCISUUHBO-OAHLLOKOSA-N 0 1 276.424 2.513 20 30 CFEDMN C#CC[C@@H]1CCN(CC(=O)Nc2ccc(C)cc2C)C1 ZINC000886355080 646984610 /nfs/dbraw/zinc/98/46/10/646984610.db2.gz BXWDINPTQYXBQB-OAHLLOKOSA-N 0 1 270.376 2.587 20 30 CFEDMN C#CC[C@@H]1CCN(CC(=O)Nc2cccc(C)c2C)C1 ZINC000886356283 646985383 /nfs/dbraw/zinc/98/53/83/646985383.db2.gz XLAJDJXHPHSSTQ-OAHLLOKOSA-N 0 1 270.376 2.587 20 30 CFEDMN C#CC[C@H]1CCN(CC(=O)Nc2sc(C)c(C)c2C)C1 ZINC000886357953 646986258 /nfs/dbraw/zinc/98/62/58/646986258.db2.gz NKERVSFJYPHXMW-AWEZNQCLSA-N 0 1 290.432 2.957 20 30 CFEDMN C=CCn1cc2ccc(NC(=O)C3(N(C)C)CCC3)cc2n1 ZINC000886647380 647086315 /nfs/dbraw/zinc/08/63/15/647086315.db2.gz NWHRTIDKRQHBHW-UHFFFAOYSA-N 0 1 298.390 2.645 20 30 CFEDMN C=CCn1cc2ccc(NC(=O)CN(CC)CC)cc2n1 ZINC000886647409 647086341 /nfs/dbraw/zinc/08/63/41/647086341.db2.gz OWSONSRYUJEZRD-UHFFFAOYSA-N 0 1 286.379 2.503 20 30 CFEDMN C=CCn1cc2ccc(NC(=O)CN(C)C3CCC3)cc2n1 ZINC000886648740 647088087 /nfs/dbraw/zinc/08/80/87/647088087.db2.gz CLPVOPOUEBKSEL-UHFFFAOYSA-N 0 1 298.390 2.645 20 30 CFEDMN Cc1nc(C2CCN(C[C@@H](C#N)CCC#N)CC2)[nH]c1C ZINC000886669600 647101146 /nfs/dbraw/zinc/10/11/46/647101146.db2.gz AZZOAPCKPMCPNZ-CQSZACIVSA-N 0 1 285.395 2.650 20 30 CFEDMN CSc1ccc(CN[C@H](C)c2cnn(C)c2)cc1C#N ZINC000886688377 647111318 /nfs/dbraw/zinc/11/13/18/647111318.db2.gz QFYOJHHXSJUYFP-LLVKDONJSA-N 0 1 286.404 2.864 20 30 CFEDMN CC(C)OC(=O)C1CCN(Cc2cccc(C#N)c2)CC1 ZINC000886720155 647122324 /nfs/dbraw/zinc/12/23/24/647122324.db2.gz UZDLDSOVZJBPSI-UHFFFAOYSA-N 0 1 286.375 2.722 20 30 CFEDMN CC(C)[C@@H]1CCC2=NN(c3ccc(C#N)cn3)C(=O)[C@H]2C1 ZINC000887295199 647262513 /nfs/dbraw/zinc/26/25/13/647262513.db2.gz ZRWBYSDDVWBTOX-OLZOCXBDSA-N 0 1 282.347 2.728 20 30 CFEDMN Cc1cc(C(=O)N2CCC(c3ccc(C#N)cc3)CC2)n[nH]1 ZINC000887706301 647394592 /nfs/dbraw/zinc/39/45/92/647394592.db2.gz VPTXOJMIWHJZMO-UHFFFAOYSA-N 0 1 294.358 2.610 20 30 CFEDMN C[C@H](CC(C)(C)C#N)NCc1cn2ccccc2n1 ZINC000924569786 647996652 /nfs/dbraw/zinc/99/66/52/647996652.db2.gz JOAITUJNYMGXKF-GFCCVEGCSA-N 0 1 256.353 2.752 20 30 CFEDMN COc1ccnc([C@H](C)NCc2cccc(C#N)c2)c1 ZINC000924638313 648015647 /nfs/dbraw/zinc/01/56/47/648015647.db2.gz BPGPHLLASRJOGF-LBPRGKRZSA-N 0 1 267.332 2.813 20 30 CFEDMN COc1ccnc([C@H](C)NCc2ccc(C#N)cc2)c1 ZINC000924697727 648029921 /nfs/dbraw/zinc/02/99/21/648029921.db2.gz BOZLCXOCLPFXDU-LBPRGKRZSA-N 0 1 267.332 2.813 20 30 CFEDMN C[C@@H](N[C@@H](C)c1ccc(C#N)cc1)c1ccnnc1 ZINC000924784970 648046956 /nfs/dbraw/zinc/04/69/56/648046956.db2.gz KAGIAADVCNHBNY-NWDGAFQWSA-N 0 1 252.321 2.760 20 30 CFEDMN C=CCCOCCN[C@@H]1CCc2c1nccc2Cl ZINC000925633426 648252690 /nfs/dbraw/zinc/25/26/90/648252690.db2.gz WGJDNXTWRRXZJL-CYBMUJFWSA-N 0 1 266.772 2.905 20 30 CFEDMN C=CCOCCN[C@H]1CCc2c1nccc2Cl ZINC000926114691 648408659 /nfs/dbraw/zinc/40/86/59/648408659.db2.gz GBZUZPHJPCETRY-LBPRGKRZSA-N 0 1 252.745 2.515 20 30 CFEDMN C#C[C@H](N[C@H](C)c1cc2ccccc2[nH]1)[C@H]1CCCO1 ZINC000926211456 648436256 /nfs/dbraw/zinc/43/62/56/648436256.db2.gz UKWHPWVVWAJSCA-HACGYAERSA-N 0 1 268.360 2.999 20 30 CFEDMN C=CCC[C@H](CO)N[C@H]1COCc2cccc(Cl)c21 ZINC000926546861 648527502 /nfs/dbraw/zinc/52/75/02/648527502.db2.gz XPVCPMFOOPBQFZ-OCCSQVGLSA-N 0 1 281.783 2.828 20 30 CFEDMN CC(C)n1cc([C@@H](C)N[C@@H]2Cc3ccc(C#N)cc3C2)nn1 ZINC000926812392 648625476 /nfs/dbraw/zinc/62/54/76/648625476.db2.gz MPPVTQASPPMUDF-MLGOLLRUSA-N 0 1 295.390 2.549 20 30 CFEDMN CCc1nc[nH]c1C(=O)Nc1ccc(CCC#N)cc1 ZINC000928400527 648906285 /nfs/dbraw/zinc/90/62/85/648906285.db2.gz DWZMPVOTBFHRME-UHFFFAOYSA-N 0 1 268.320 2.681 20 30 CFEDMN CN(CC(=O)Nc1ccc(CCC#N)cc1)C1CCC1 ZINC000928401520 648906998 /nfs/dbraw/zinc/90/69/98/648906998.db2.gz ZEGSHXSJRFPPBL-UHFFFAOYSA-N 0 1 271.364 2.566 20 30 CFEDMN CC(C)[C@@H](C(=O)Nc1ccc(CCC#N)cc1)N(C)C ZINC000928403401 648907724 /nfs/dbraw/zinc/90/77/24/648907724.db2.gz AXURONDHPOIKAE-HNNXBMFYSA-N 0 1 273.380 2.667 20 30 CFEDMN C=CCC[C@@H](C(=O)NC[C@@H]1CCN1C)c1ccccc1 ZINC000928556530 648924309 /nfs/dbraw/zinc/92/43/09/648924309.db2.gz AORQXHYJSCHOOW-JKSUJKDBSA-N 0 1 272.392 2.557 20 30 CFEDMN C#CCN1CCC(NC(=O)C[C@@H](C)CCCCC)CC1 ZINC000928655902 648938875 /nfs/dbraw/zinc/93/88/75/648938875.db2.gz CJXNHGGUWKVDEF-HNNXBMFYSA-N 0 1 278.440 2.807 20 30 CFEDMN C#CCN1CCC(NC(=O)c2cccc(C(C)C)c2)CC1 ZINC000928648852 648938899 /nfs/dbraw/zinc/93/88/99/648938899.db2.gz SGNRVIIBFVSMLC-UHFFFAOYSA-N 0 1 284.403 2.637 20 30 CFEDMN C#CCN1CCC(NC(=O)c2ccc(C3CCC3)cc2)CC1 ZINC000928652969 648939096 /nfs/dbraw/zinc/93/90/96/648939096.db2.gz STAYPBJZIYUZEH-UHFFFAOYSA-N 0 1 296.414 2.782 20 30 CFEDMN C=CCN(C/C(C)=C/C(=O)OC)Cc1cccs1 ZINC000929140116 648988067 /nfs/dbraw/zinc/98/80/67/648988067.db2.gz FMUXWZMSDWOQPS-FMIVXFBMSA-N 0 1 265.378 2.855 20 30 CFEDMN CN(CCCOc1ccccc1)Cc1cncc(C#N)c1 ZINC000929186950 648997227 /nfs/dbraw/zinc/99/72/27/648997227.db2.gz YBPZDSYGCKYMJR-UHFFFAOYSA-N 0 1 281.359 2.854 20 30 CFEDMN N#Cc1cncc(CN2CCCO[C@H](c3ccccc3)C2)c1 ZINC000929528701 649066787 /nfs/dbraw/zinc/06/67/87/649066787.db2.gz DVRQFLPMXICNJN-SFHVURJKSA-N 0 1 293.370 2.917 20 30 CFEDMN Cc1cc(C#N)cc(C)c1C[N@@H+](C)CCn1cccn1 ZINC000929620944 649080885 /nfs/dbraw/zinc/08/08/85/649080885.db2.gz FZUPQYYNHDKPJM-UHFFFAOYSA-N 0 1 268.364 2.504 20 30 CFEDMN CCc1ccc([C@@H]2C[C@@H](C)CCN2C[C@H](O)CC#N)o1 ZINC000929759805 649114236 /nfs/dbraw/zinc/11/42/36/649114236.db2.gz MONORBNFNLMIKS-GUTXKFCHSA-N 0 1 276.380 2.890 20 30 CFEDMN C#Cc1ccc(NC(=O)CCN(CCC#N)CC2CC2)cc1 ZINC000929774550 649117331 /nfs/dbraw/zinc/11/73/31/649117331.db2.gz BKYDSOGAFSWXIR-UHFFFAOYSA-N 0 1 295.386 2.622 20 30 CFEDMN Cc1cc(C#N)cc(C)c1CN1CC[C@@](O)(C(F)(F)F)C1 ZINC000929800584 649126772 /nfs/dbraw/zinc/12/67/72/649126772.db2.gz YQYZKPVCMCQOFL-AWEZNQCLSA-N 0 1 298.308 2.674 20 30 CFEDMN Cc1[nH]c2ccccc2c1C1=CCN(C[C@H](O)CC#N)CC1 ZINC000929989291 649161112 /nfs/dbraw/zinc/16/11/12/649161112.db2.gz ZHXWUZAESGYTAU-OAHLLOKOSA-N 0 1 295.386 2.840 20 30 CFEDMN COC(=O)[C@@H]1CCCC[C@H]1CN(C[C@@H](C)C#N)C1CC1 ZINC000930085516 649181117 /nfs/dbraw/zinc/18/11/17/649181117.db2.gz GAOBOLAXKGFOEW-KCQAQPDRSA-N 0 1 278.396 2.590 20 30 CFEDMN C[C@@]1(O)CCCN(Cc2cc(Cl)cc(C#N)c2)CC1 ZINC000930279865 649221011 /nfs/dbraw/zinc/22/10/11/649221011.db2.gz TXHRIJDZFKFNOE-OAHLLOKOSA-N 0 1 278.783 2.949 20 30 CFEDMN N#CC[C@@H](O)CN1CCC([C@H](F)c2ccccc2F)CC1 ZINC000930445146 649248498 /nfs/dbraw/zinc/24/84/98/649248498.db2.gz HHMLTXQZCCHYGJ-CJNGLKHVSA-N 0 1 294.345 2.823 20 30 CFEDMN CC[C@@H]1CN(CC2CCC(C#N)CC2)C[C@@H](C)[S@]1=O ZINC000930455488 649251981 /nfs/dbraw/zinc/25/19/81/649251981.db2.gz PFLYKRYFHZOEJH-BDLIBPHJSA-N 0 1 282.453 2.548 20 30 CFEDMN N#Cc1cncc(CN2CCC[C@H]2COc2ccccc2)c1 ZINC000930609431 649286334 /nfs/dbraw/zinc/28/63/34/649286334.db2.gz GVNUPURHWUBLPG-KRWDZBQOSA-N 0 1 293.370 2.997 20 30 CFEDMN N#CCN(C(=O)c1cccc2[nH]c(C(F)F)nc21)C1CC1 ZINC000930616469 649288487 /nfs/dbraw/zinc/28/84/87/649288487.db2.gz SWWIXRRBDZIOBK-UHFFFAOYSA-N 0 1 290.273 2.629 20 30 CFEDMN CN(Cc1cncc(C#N)c1)C1CC(OC(C)(C)C)C1 ZINC000930751143 649320253 /nfs/dbraw/zinc/32/02/53/649320253.db2.gz MXNCIFBLHWDVOG-UHFFFAOYSA-N 0 1 273.380 2.731 20 30 CFEDMN N#Cc1cncc(CN2CC3(CCC3)[C@@H]2C2CCOCC2)c1 ZINC000930764572 649323183 /nfs/dbraw/zinc/32/31/83/649323183.db2.gz YLVOCGZMJJKHSY-KRWDZBQOSA-N 0 1 297.402 2.734 20 30 CFEDMN C#C[C@@H]1CCC[N@@H+](C[C@H](C)C(=O)c2ccc([O-])cc2)C1 ZINC000930887516 649344099 /nfs/dbraw/zinc/34/40/99/649344099.db2.gz YYOJKUBMILSACA-UONOGXRCSA-N 0 1 271.360 2.556 20 30 CFEDMN C#C[C@@H]1CCC[N@H+](C[C@H](C)C(=O)c2ccc([O-])cc2)C1 ZINC000930887516 649344102 /nfs/dbraw/zinc/34/41/02/649344102.db2.gz YYOJKUBMILSACA-UONOGXRCSA-N 0 1 271.360 2.556 20 30 CFEDMN C=CC[N@@H+](C[C@@H]1CC[C@H](C(F)(F)F)O1)[C@H](C)COC ZINC000930930421 649352449 /nfs/dbraw/zinc/35/24/49/649352449.db2.gz HJJJOFQSHRIICF-GRYCIOLGSA-N 0 1 281.318 2.619 20 30 CFEDMN Clc1ccccc1C#CCN1CCC[C@H]1c1nnc[nH]1 ZINC000931139680 649385847 /nfs/dbraw/zinc/38/58/47/649385847.db2.gz RXCGOCFCQZIGET-AWEZNQCLSA-N 0 1 286.766 2.647 20 30 CFEDMN C#CC1(O)CCN([C@H](CC)c2ccc(F)cc2F)CC1 ZINC000931143766 649386323 /nfs/dbraw/zinc/38/63/23/649386323.db2.gz MOKFBFKCIZERFN-OAHLLOKOSA-N 0 1 279.330 2.876 20 30 CFEDMN COc1cc(C#N)ccc1CN1CCC(c2ncco2)CC1 ZINC000931446576 649429467 /nfs/dbraw/zinc/42/94/67/649429467.db2.gz KLULIISRNYMQLZ-UHFFFAOYSA-N 0 1 297.358 2.934 20 30 CFEDMN C[C@H]1CN(CCCOc2cccc(C#N)c2)Cc2c[nH]nc21 ZINC000931458273 649431815 /nfs/dbraw/zinc/43/18/15/649431815.db2.gz QNTSFUXTHHHREC-ZDUSSCGKSA-N 0 1 296.374 2.670 20 30 CFEDMN CC[C@@]1(O)CCCN(Cc2cc(Cl)cc(C#N)c2)C1 ZINC000931476079 649438221 /nfs/dbraw/zinc/43/82/21/649438221.db2.gz NEWNZAQYFQDPQZ-OAHLLOKOSA-N 0 1 278.783 2.949 20 30 CFEDMN C[C@@H](c1cccc(C#N)c1)N1CCc2nccc(N)c2C1 ZINC000931520409 649446781 /nfs/dbraw/zinc/44/67/81/649446781.db2.gz ZHOKODSMWKZVHC-LBPRGKRZSA-N 0 1 278.359 2.655 20 30 CFEDMN CC(C)(O)[C@@H]1CCN(Cc2cc(Cl)cc(C#N)c2)C1 ZINC000931622923 649465420 /nfs/dbraw/zinc/46/54/20/649465420.db2.gz UFIKTLHNOFSREU-CYBMUJFWSA-N 0 1 278.783 2.804 20 30 CFEDMN N#CC1CCC(CN2CCc3nc[nH]c3C23CCC3)CC1 ZINC000931674584 649469154 /nfs/dbraw/zinc/46/91/54/649469154.db2.gz BUIHWENLSSQUQR-UHFFFAOYSA-N 0 1 284.407 2.977 20 30 CFEDMN Cc1cc(C#N)cc(C)c1CN(C)[C@@H](CC(C)C)C(N)=O ZINC000931707511 649476400 /nfs/dbraw/zinc/47/64/00/649476400.db2.gz RTXPFQWBNYGUBM-INIZCTEOSA-N 0 1 287.407 2.507 20 30 CFEDMN CC[C@@H](C)N1CCN(C(=O)Nc2sccc2C#N)CC1 ZINC000931836367 649498277 /nfs/dbraw/zinc/49/82/77/649498277.db2.gz XUYAFPWGISWRRW-LLVKDONJSA-N 0 1 292.408 2.568 20 30 CFEDMN Cn1ccc([C@@H]2CCCN(CC#Cc3ccccc3)C2)n1 ZINC000932136364 649547967 /nfs/dbraw/zinc/54/79/67/649547967.db2.gz MACMNBQUBHDTMQ-QGZVFWFLSA-N 0 1 279.387 2.651 20 30 CFEDMN CC(C)(C)OC[C@@H]1CCCN1Cc1ccc(C#N)o1 ZINC000932169041 649557524 /nfs/dbraw/zinc/55/75/24/649557524.db2.gz ZNBZDORGGTUWBT-LBPRGKRZSA-N 0 1 262.353 2.931 20 30 CFEDMN Cc1nc(CC2CCN(Cc3ccccc3C#N)CC2)no1 ZINC000932243710 649568130 /nfs/dbraw/zinc/56/81/30/649568130.db2.gz CQPYOIIWPHIZPX-UHFFFAOYSA-N 0 1 296.374 2.704 20 30 CFEDMN Cn1nccc1[C@H]1CCCN1Cc1ccc(CC#N)cc1 ZINC000932261094 649569351 /nfs/dbraw/zinc/56/93/51/649569351.db2.gz NXTPQQQXCKLNID-QGZVFWFLSA-N 0 1 280.375 2.823 20 30 CFEDMN C#CCOc1cccc(NC(=O)[C@@H]2CCC[N@@H+]2C(C)C)c1 ZINC000932292530 649575346 /nfs/dbraw/zinc/57/53/46/649575346.db2.gz GCBNEOMBRWUYPW-INIZCTEOSA-N 0 1 286.375 2.510 20 30 CFEDMN C#CCOc1cccc(NC(=O)[C@@H]2CCCN2C(C)C)c1 ZINC000932292530 649575350 /nfs/dbraw/zinc/57/53/50/649575350.db2.gz GCBNEOMBRWUYPW-INIZCTEOSA-N 0 1 286.375 2.510 20 30 CFEDMN C#CCN(CC[C@@](C#N)(C(C)=O)c1ccccc1)C(C)C ZINC000932384733 649589895 /nfs/dbraw/zinc/58/98/95/649589895.db2.gz WVMGYCPMLHSPQA-GOSISDBHSA-N 0 1 282.387 2.771 20 30 CFEDMN N#Cc1cncc(CN[C@@H](c2ccccn2)C2CC2)c1 ZINC000932385545 649591002 /nfs/dbraw/zinc/59/10/02/649591002.db2.gz JCJZDXWQLFMSRG-MRXNPFEDSA-N 0 1 264.332 2.589 20 30 CFEDMN C=CCN(CC=C)C(=O)CN[C@H](C)c1ccc(F)cc1C ZINC000932555711 649618217 /nfs/dbraw/zinc/61/82/17/649618217.db2.gz HMGILERILPJULH-CQSZACIVSA-N 0 1 290.382 2.985 20 30 CFEDMN CCc1cc(CNC(=O)Nc2ccc(CCC#N)cc2)n[nH]1 ZINC000932577543 649623012 /nfs/dbraw/zinc/62/30/12/649623012.db2.gz PMYCQYOVLXMYHS-UHFFFAOYSA-N 0 1 297.362 2.750 20 30 CFEDMN CCOC(=O)[C@H]1CCN(CC#Cc2ccc(Cl)cc2)C1 ZINC000932641900 649633345 /nfs/dbraw/zinc/63/33/45/649633345.db2.gz OHMXYRSQJRHVBT-AWEZNQCLSA-N 0 1 291.778 2.577 20 30 CFEDMN C#CCC1(NCc2nc(C(=O)OC)cs2)CCCCC1 ZINC000933266794 649683724 /nfs/dbraw/zinc/68/37/24/649683724.db2.gz YQBMEWXQOCEDDI-UHFFFAOYSA-N 0 1 292.404 2.746 20 30 CFEDMN Cn1cnc(CN2CCC(c3ccc(C#N)cc3)CC2)c1 ZINC000933611491 649706128 /nfs/dbraw/zinc/70/61/28/649706128.db2.gz LWGJKZNETKNMME-UHFFFAOYSA-N 0 1 280.375 2.671 20 30 CFEDMN C=CC[C@@H](C)N1CCO[C@@H](c2ccc(C#N)cc2)C1 ZINC000933631476 649708877 /nfs/dbraw/zinc/70/88/77/649708877.db2.gz JXLHWKIKMIYOOS-CZUORRHYSA-N 0 1 256.349 2.896 20 30 CFEDMN N#Cc1ccc([C@H]2CN(CC3CC=CC3)CCO2)cc1 ZINC000933633608 649708885 /nfs/dbraw/zinc/70/88/85/649708885.db2.gz XYFBSQXDPPHILE-QGZVFWFLSA-N 0 1 268.360 2.898 20 30 CFEDMN N#Cc1ccc([C@@H]2CN(C[C@@H]3C[C@H]4C[C@H]4C3)CCO2)cc1 ZINC000933631757 649708947 /nfs/dbraw/zinc/70/89/47/649708947.db2.gz LFVOISCPHPLURS-RANZSIQMSA-N 0 1 282.387 2.978 20 30 CFEDMN Cc1ccc(CN2CCC3(CC2)CC(=O)C=CO3)cc1C#N ZINC000933645731 649709337 /nfs/dbraw/zinc/70/93/37/649709337.db2.gz WPOSWLHMFHLCDT-UHFFFAOYSA-N 0 1 296.370 2.704 20 30 CFEDMN Cc1cc(C)n(CCN(C)Cc2cc(C#N)cs2)n1 ZINC000933770902 649720447 /nfs/dbraw/zinc/72/04/47/649720447.db2.gz AIMKUQMUCXVKSU-UHFFFAOYSA-N 0 1 274.393 2.565 20 30 CFEDMN CN(CCOC1CCSCC1)Cc1cc(C#N)cs1 ZINC000933771431 649720451 /nfs/dbraw/zinc/72/04/51/649720451.db2.gz XBACOSAWKSGENV-UHFFFAOYSA-N 0 1 296.461 2.964 20 30 CFEDMN N#C[C@H](NC(=O)c1cccc(F)c1O)C1CCCCC1 ZINC000934135506 649754358 /nfs/dbraw/zinc/75/43/58/649754358.db2.gz VQRSNOLQVQOYQX-ZDUSSCGKSA-N 0 1 276.311 2.734 20 30 CFEDMN C=CC[C@H]1CCN1CC(=O)N(Cc1ccc(C)o1)C1CC1 ZINC000934468832 649789874 /nfs/dbraw/zinc/78/98/74/649789874.db2.gz KPERVVNZTBKVSA-AWEZNQCLSA-N 0 1 288.391 2.729 20 30 CFEDMN C=CC[C@@H]1CCN1CC(=O)N[C@@H](C)c1ccc(F)cc1 ZINC000934470719 649790324 /nfs/dbraw/zinc/79/03/24/649790324.db2.gz QDRSNNDVKXWRDQ-SWLSCSKDSA-N 0 1 276.355 2.653 20 30 CFEDMN Cc1cc(C#N)ccc1CN1CCOC[C@@]1(C)C1CC1 ZINC000934477847 649792688 /nfs/dbraw/zinc/79/26/88/649792688.db2.gz ICDUAUZOSDLHLG-KRWDZBQOSA-N 0 1 270.376 2.868 20 30 CFEDMN C=CCCCN(CC)[C@H](C(N)=O)c1ccc(F)cc1 ZINC000934646852 649811821 /nfs/dbraw/zinc/81/18/21/649811821.db2.gz ORESAJAQTGOGNX-AWEZNQCLSA-N 0 1 264.344 2.640 20 30 CFEDMN C=CCCCN(CC)Cc1ccoc1C(=O)OC ZINC000934649344 649812168 /nfs/dbraw/zinc/81/21/68/649812168.db2.gz SHABPUAPMWICHF-UHFFFAOYSA-N 0 1 251.326 2.854 20 30 CFEDMN CSCC(C)(C)NCc1ccc(F)cc1C#N ZINC000934675855 649814577 /nfs/dbraw/zinc/81/45/77/649814577.db2.gz VSGMMESUWGXSFB-UHFFFAOYSA-N 0 1 252.358 2.929 20 30 CFEDMN CCCCCCN(Cc1ccco1)C[C@H](O)CC#N ZINC000934709214 649818589 /nfs/dbraw/zinc/81/85/89/649818589.db2.gz YBUKCCNZXJWKHB-CQSZACIVSA-N 0 1 264.369 2.936 20 30 CFEDMN C=CCN1CCC[C@H](NC(=O)c2ccc3cc(C)cn3c2)C1 ZINC001007472109 651135609 /nfs/dbraw/zinc/13/56/09/651135609.db2.gz JDOCPJLFSUMVND-INIZCTEOSA-N 0 1 297.402 2.628 20 30 CFEDMN C=CCN1CCC[C@H](NC(=O)c2ccc3oc(C)nc3c2)C1 ZINC001007576848 651136619 /nfs/dbraw/zinc/13/66/19/651136619.db2.gz ARGKKJYQMFVNIB-AWEZNQCLSA-N 0 1 299.374 2.516 20 30 CFEDMN C=CCN1CCC[C@H](NC(=O)c2cn(C)c3ccccc23)C1 ZINC001007820091 651139057 /nfs/dbraw/zinc/13/90/57/651139057.db2.gz ADYGUCTYBLLHGA-AWEZNQCLSA-N 0 1 297.402 2.559 20 30 CFEDMN C=C(C)CN1CCC[C@H](NC(=O)c2ccnc(C3CC3)c2)C1 ZINC001007817048 651139361 /nfs/dbraw/zinc/13/93/61/651139361.db2.gz XNQJVXIAAYQEFU-INIZCTEOSA-N 0 1 299.418 2.729 20 30 CFEDMN C=CCN1CCC[C@@H](NC(=O)[C@@H](c2ccccc2)C2CC2)C1 ZINC001007934142 651140779 /nfs/dbraw/zinc/14/07/79/651140779.db2.gz NUMOCUMXEWKSAL-MSOLQXFVSA-N 0 1 298.430 2.947 20 30 CFEDMN C=C(C)CN1CCC[C@H](NC(=O)C2CC3(CCC3)C2)C1 ZINC001008221693 651144327 /nfs/dbraw/zinc/14/43/27/651144327.db2.gz ZOXWLFWBYITTCX-HNNXBMFYSA-N 0 1 276.424 2.723 20 30 CFEDMN C=CCN1CCC[C@@H](NC(=O)c2ccc(F)c(Cl)c2)C1 ZINC001008351973 651147196 /nfs/dbraw/zinc/14/71/96/651147196.db2.gz ZIQMGZYKYQHQTQ-GFCCVEGCSA-N 0 1 296.773 2.859 20 30 CFEDMN C=C(C)CN1CCC[C@@H](NC(=O)[C@H](C)c2ccco2)C1 ZINC001008515035 651149871 /nfs/dbraw/zinc/14/98/71/651149871.db2.gz YJBGHPYWIFEONM-ZIAGYGMSSA-N 0 1 276.380 2.540 20 30 CFEDMN C=C(C)CN1CCC[C@@H](NC(=O)[C@@H]2C[C@H]2CC(C)C)C1 ZINC001008587026 651150452 /nfs/dbraw/zinc/15/04/52/651150452.db2.gz JVMJSPQNGILTTE-BZUAXINKSA-N 0 1 278.440 2.825 20 30 CFEDMN C=C(C)CN1CCC[C@@H](NC(=O)c2ccc(C)cc2F)C1 ZINC001008656144 651151453 /nfs/dbraw/zinc/15/14/53/651151453.db2.gz YZSYLNORXKBFBF-CQSZACIVSA-N 0 1 290.382 2.904 20 30 CFEDMN C=CCN1CCC[C@@H](NC(=O)c2ccc3cc[nH]c3c2)C1 ZINC001008682405 651152061 /nfs/dbraw/zinc/15/20/61/651152061.db2.gz WCBJBJWIYQIODK-OAHLLOKOSA-N 0 1 283.375 2.548 20 30 CFEDMN C=C(C)CN1CCC[C@H](NC(=O)c2ccc3cc[nH]c3c2)C1 ZINC001008677029 651152383 /nfs/dbraw/zinc/15/23/83/651152383.db2.gz GPIBURFAXMVCJN-INIZCTEOSA-N 0 1 297.402 2.938 20 30 CFEDMN C=CCN1CCC[C@@H](NC(=O)c2cccc3c2ccn3C)C1 ZINC001008877629 651154680 /nfs/dbraw/zinc/15/46/80/651154680.db2.gz SRAOCAJEXVJHDF-CQSZACIVSA-N 0 1 297.402 2.559 20 30 CFEDMN C=CCN1CCC[C@@H](NC(=O)Cc2coc3ccccc23)C1 ZINC001008991089 651155287 /nfs/dbraw/zinc/15/52/87/651155287.db2.gz ZCDAVHXXVNZVTK-OAHLLOKOSA-N 0 1 298.386 2.742 20 30 CFEDMN C=CCN1CCC[C@@H](NC(=O)c2cc(CC(C)C)c[nH]2)C1 ZINC001009221039 651157794 /nfs/dbraw/zinc/15/77/94/651157794.db2.gz SVHFDDMDGJPEDO-OAHLLOKOSA-N 0 1 289.423 2.593 20 30 CFEDMN C=C(C)CN1CCC[C@H](NC(=O)c2ccc(F)cc2F)C1 ZINC001009396647 651159932 /nfs/dbraw/zinc/15/99/32/651159932.db2.gz YMFXEOWMXYZSGQ-ZDUSSCGKSA-N 0 1 294.345 2.735 20 30 CFEDMN C=C(C)CN1CCC[C@H](NC(=O)C2CCC=CCC2)C1 ZINC001009566660 651161709 /nfs/dbraw/zinc/16/17/09/651161709.db2.gz VABYHRXJPAXOAL-INIZCTEOSA-N 0 1 276.424 2.890 20 30 CFEDMN C=CCN1CCC[C@H](NC(=O)c2cccc3cnccc32)C1 ZINC001009528317 651162034 /nfs/dbraw/zinc/16/20/34/651162034.db2.gz KDWSONPTNRMDJO-HNNXBMFYSA-N 0 1 295.386 2.615 20 30 CFEDMN C=CCN1CCC[C@@H](NC(=O)c2ccc(C3CC3)cc2)C1 ZINC001009613652 651162404 /nfs/dbraw/zinc/16/24/04/651162404.db2.gz TWOIQIGTNFRIQH-QGZVFWFLSA-N 0 1 284.403 2.944 20 30 CFEDMN C=CCN1CC[C@@H](NC(=O)c2cccc3c(C)c(C)[nH]c32)C1 ZINC001014978767 651194752 /nfs/dbraw/zinc/19/47/52/651194752.db2.gz NCBCNTCGSYWUGD-CQSZACIVSA-N 0 1 297.402 2.775 20 30 CFEDMN C=CCN1CC[C@H](NC(=O)C2CCCCCCC2)C1 ZINC001015216281 651197322 /nfs/dbraw/zinc/19/73/22/651197322.db2.gz PMQWFEVZHKAEOA-HNNXBMFYSA-N 0 1 264.413 2.723 20 30 CFEDMN C=CCN1CC[C@@H](NC(=O)c2ccc3cc(C)ccc3n2)C1 ZINC001015207601 651197602 /nfs/dbraw/zinc/19/76/02/651197602.db2.gz WFCLKSXHDJXZRZ-OAHLLOKOSA-N 0 1 295.386 2.533 20 30 CFEDMN C=C(C)CN1CC[C@@H](NC(=O)c2ccc(C)nc2C2CC2)C1 ZINC001015418541 651200499 /nfs/dbraw/zinc/20/04/99/651200499.db2.gz RQKWIZOOLPTMCH-OAHLLOKOSA-N 0 1 299.418 2.648 20 30 CFEDMN C=CCN1CC[C@H](NC(=O)C2(c3cccc(C)c3)CCC2)C1 ZINC001015464330 651201847 /nfs/dbraw/zinc/20/18/47/651201847.db2.gz CJCSFIALKHFLMS-KRWDZBQOSA-N 0 1 298.430 2.793 20 30 CFEDMN C=C(C)CN1CC[C@@H](NC(=O)c2coc(C(F)F)c2)C1 ZINC001015618219 651205974 /nfs/dbraw/zinc/20/59/74/651205974.db2.gz PJQXKPZQXOCPDY-LLVKDONJSA-N 0 1 284.306 2.597 20 30 CFEDMN C=CCN1CC[C@H](NC(=O)c2ccc(F)c3ccccc23)C1 ZINC001015737803 651210472 /nfs/dbraw/zinc/21/04/72/651210472.db2.gz SKCXBBCBAOZASB-ZDUSSCGKSA-N 0 1 298.361 2.969 20 30 CFEDMN C=C(C)CN1CC[C@@H](NC(=O)c2cc([C@H](C)CC)no2)C1 ZINC001015811782 651214898 /nfs/dbraw/zinc/21/48/98/651214898.db2.gz NCEZRKUSIPBNLE-CHWSQXEVSA-N 0 1 291.395 2.568 20 30 CFEDMN CC#CCN1CC[C@@H](NC(=O)[C@H](C)c2ccc(CC)cc2)C1 ZINC001015859406 651216620 /nfs/dbraw/zinc/21/66/20/651216620.db2.gz DDSHRGKOPSTSAS-CRAIPNDOSA-N 0 1 298.430 2.566 20 30 CFEDMN CC#CCN1CC[C@@H](NC(=O)C[C@@H]2CCCC(C)(C)C2)C1 ZINC001015995391 651220323 /nfs/dbraw/zinc/22/03/23/651220323.db2.gz TYVBFHGQYQNRCO-JKSUJKDBSA-N 0 1 290.451 2.807 20 30 CFEDMN C#CCCN1CC[C@@H](NC(=O)c2ccsc2C(F)F)C1 ZINC001016121147 651224682 /nfs/dbraw/zinc/22/46/82/651224682.db2.gz AHWQXEUVQHHPFP-SNVBAGLBSA-N 0 1 298.358 2.513 20 30 CFEDMN C=C(C)CN1CC[C@@H](NC(=O)c2cc3ccccc3[nH]2)C1 ZINC001016211087 651227791 /nfs/dbraw/zinc/22/77/91/651227791.db2.gz KFRWOIFISCHYEU-CQSZACIVSA-N 0 1 283.375 2.548 20 30 CFEDMN C=CCN1CC[C@H](NC(=O)[C@H](C)c2cccc(Cl)c2)C1 ZINC001016309416 651230140 /nfs/dbraw/zinc/23/01/40/651230140.db2.gz VARAEGFNVYTTLS-DOMZBBRYSA-N 0 1 292.810 2.820 20 30 CFEDMN C#CCCN1CC[C@@H](NC(=O)c2cc3cccc(C)c3o2)C1 ZINC001016344342 651231087 /nfs/dbraw/zinc/23/10/87/651231087.db2.gz RBCLIQNUNMASHQ-OAHLLOKOSA-N 0 1 296.370 2.569 20 30 CFEDMN C=CCN1CC[C@@H](NC(=O)c2cccc(C3CC3)c2)C1 ZINC001016356456 651231676 /nfs/dbraw/zinc/23/16/76/651231676.db2.gz IKVFKWVJHZRFEH-MRXNPFEDSA-N 0 1 270.376 2.554 20 30 CFEDMN C=C(Cl)CN1CCC2(C[C@@H]2NC(=O)C2CC=CC2)CC1 ZINC001016550221 651236842 /nfs/dbraw/zinc/23/68/42/651236842.db2.gz DINQVJUALSWHQJ-AWEZNQCLSA-N 0 1 294.826 2.676 20 30 CFEDMN C=C(Cl)CN1CCC2(C[C@@H]2NC(=O)C2(C)CCC2)CC1 ZINC001016777733 651240469 /nfs/dbraw/zinc/24/04/69/651240469.db2.gz VKUFSKTUSWXNSY-ZDUSSCGKSA-N 0 1 296.842 2.900 20 30 CFEDMN C=C(Cl)CN1CCC2(C[C@@H]2NC(=O)[C@H]2CC23CC3)CC1 ZINC001016848849 651242057 /nfs/dbraw/zinc/24/20/57/651242057.db2.gz ZZFXDQHOLXXAAY-OLZOCXBDSA-N 0 1 294.826 2.510 20 30 CFEDMN C=C(C)CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)C(F)=C(C)C ZINC001017471382 651252693 /nfs/dbraw/zinc/25/26/93/651252693.db2.gz LUPKQFKUTNPPKU-OKILXGFUSA-N 0 1 280.387 2.891 20 30 CFEDMN C=C(C)CCN1C[C@H]2CC[C@@H](C1)N2C(=O)C(F)=C(C)C ZINC001017471382 651252696 /nfs/dbraw/zinc/25/26/96/651252696.db2.gz LUPKQFKUTNPPKU-OKILXGFUSA-N 0 1 280.387 2.891 20 30 CFEDMN C=C(C)CCN1C[C@H]2CC[C@@H](C1)N2C(=O)c1coc(C)c1 ZINC001017503235 651253259 /nfs/dbraw/zinc/25/32/59/651253259.db2.gz UXJSTNHSWIWMLF-IYBDPMFKSA-N 0 1 288.391 2.843 20 30 CFEDMN C=CCCN1C[C@H]2CC[C@@H](C1)N2C(=O)C12CCC(CC1)C2 ZINC001017664209 651255458 /nfs/dbraw/zinc/25/54/58/651255458.db2.gz PZEZZPMHFOROCH-BHBVFMNGSA-N 0 1 288.435 2.818 20 30 CFEDMN C=CCCN1C[C@H]2CC[C@@H](C1)N2C(=O)c1ccc(CC)o1 ZINC001017672756 651255736 /nfs/dbraw/zinc/25/57/36/651255736.db2.gz PVRIKSJDOQNAKS-OKILXGFUSA-N 0 1 288.391 2.707 20 30 CFEDMN C=CCCN1C[C@H]2CC[C@@H](C1)N2C(=O)c1ccc(Cl)[nH]1 ZINC001017905912 651261602 /nfs/dbraw/zinc/26/16/02/651261602.db2.gz QUWWIEWPHDELGS-TXEJJXNPSA-N 0 1 293.798 2.533 20 30 CFEDMN C#CCCN1C[C@H]2CC[C@@H](C1)N2C(=O)[C@H](C)C1CCCC1 ZINC001018166536 651266116 /nfs/dbraw/zinc/26/61/16/651266116.db2.gz TWLHBKXMXYPLDZ-OIISXLGYSA-N 0 1 288.435 2.511 20 30 CFEDMN C#CCCN1C[C@H]2CC[C@@H](C1)N2C(=O)c1ccc(CC)cc1 ZINC001018232408 651267845 /nfs/dbraw/zinc/26/78/45/651267845.db2.gz WMUAFXAVZPYGPM-HDICACEKSA-N 0 1 296.414 2.561 20 30 CFEDMN C=CCCN1C[C@H]2CC[C@@H](C1)N2C(=O)c1ccc(C)nc1C ZINC001018300176 651268506 /nfs/dbraw/zinc/26/85/06/651268506.db2.gz XRHCMECVLFDVRR-IYBDPMFKSA-N 0 1 299.418 2.563 20 30 CFEDMN C=C(Cl)CN[C@H]1CCN(C(=O)CCC2CCC2)C1 ZINC001018684421 651274723 /nfs/dbraw/zinc/27/47/23/651274723.db2.gz RZAVVKGFTSGALJ-ZDUSSCGKSA-N 0 1 270.804 2.510 20 30 CFEDMN C=C(Cl)CN[C@H]1CCN(C(=O)c2cc[nH]c2C(C)C)C1 ZINC001019268798 651282168 /nfs/dbraw/zinc/28/21/68/651282168.db2.gz DBFBYKWZVGCQBU-LBPRGKRZSA-N 0 1 295.814 2.695 20 30 CFEDMN CC(C)[C@@H](C)C(=O)N1CC[C@H](NCc2ccccc2C#N)C1 ZINC001019457958 651285750 /nfs/dbraw/zinc/28/57/50/651285750.db2.gz BGHWNAMYXRCACG-PBHICJAKSA-N 0 1 299.418 2.541 20 30 CFEDMN C=C(Cl)CN[C@H]1CCN(C(=O)c2ccccc2Cl)C1 ZINC001019691381 651289230 /nfs/dbraw/zinc/28/92/30/651289230.db2.gz YXLFANCPDNJXTO-NSHDSACASA-N 0 1 299.201 2.897 20 30 CFEDMN C[C@@H]1CN(C)[C@@H](C)CN1c1nc(Cl)c(Cl)cc1C#N ZINC001164642441 719200392 /nfs/dbraw/zinc/20/03/92/719200392.db2.gz YOBMKNOCSAACOL-DTWKUNHWSA-N 0 1 299.205 2.789 20 30 CFEDMN Cc1cc(Cl)nc(N2CCN(CC(C)C)CC2)c1C#N ZINC001164651328 719329671 /nfs/dbraw/zinc/32/96/71/719329671.db2.gz FYZAKXOIMMAIKN-UHFFFAOYSA-N 0 1 292.814 2.693 20 30 CFEDMN C#CCCN1CC[C@H]1CN(C)C(=O)c1ccoc1C(C)C ZINC001085995800 782232412 /nfs/dbraw/zinc/23/24/12/782232412.db2.gz VMVAPXADQCORPE-AWEZNQCLSA-N 0 1 288.391 2.573 20 30 CFEDMN C#CCCN1CC[C@H]1CN(C)C(=O)c1coc2ccccc21 ZINC001086000390 782236364 /nfs/dbraw/zinc/23/63/64/782236364.db2.gz IFPWXFBMQUGMAT-AWEZNQCLSA-N 0 1 296.370 2.602 20 30 CFEDMN COC(=O)c1ccc(C#N)cc1-c1cc(F)cc(F)c1O ZINC001243505350 782241698 /nfs/dbraw/zinc/24/16/98/782241698.db2.gz REJYBHZABOXBDJ-UHFFFAOYSA-N 0 1 289.237 2.996 20 30 CFEDMN C=CCCCN1CCN(C(=O)OC(C)(C)C)C[C@@H]1COC ZINC001209156540 770006953 /nfs/dbraw/zinc/00/69/53/770006953.db2.gz BXLRQCUTSVDILT-CQSZACIVSA-N 0 1 298.427 2.520 20 30 CFEDMN CC(C)CCC(=O)C(C#N)C(=O)Nc1ccccc1 ZINC000127941479 770941946 /nfs/dbraw/zinc/94/19/46/770941946.db2.gz HUCRUEBQOPKIRD-ZDUSSCGKSA-N 0 1 258.321 2.770 20 30 CFEDMN C=CC[C@@H](C)Oc1[nH]c(=O)nc2cccc(OC)c21 ZINC001229239742 776763033 /nfs/dbraw/zinc/76/30/33/776763033.db2.gz PONXCRUUGLFQBI-SECBINFHSA-N 0 1 260.293 2.687 20 30 CFEDMN C=CCN(C)Cc1cc(O)cc(Br)c1 ZINC001232998154 777756458 /nfs/dbraw/zinc/75/64/58/777756458.db2.gz IUJXAURGXQXXCT-UHFFFAOYSA-N 0 1 256.143 2.773 20 30 CFEDMN C=CCN1CC[C@@H](N(C)C(=O)c2cc(C)c(C)s2)C1 ZINC001033643477 780742385 /nfs/dbraw/zinc/74/23/85/780742385.db2.gz YZHXFPFZOXZAIR-CYBMUJFWSA-N 0 1 278.421 2.697 20 30 CFEDMN CC#CCN1CC[C@H](N(CC)C(=O)[C@H]2CC23CCCC3)C1 ZINC001034019265 780855659 /nfs/dbraw/zinc/85/56/59/780855659.db2.gz TWDPVDDASSAVSA-JKSUJKDBSA-N 0 1 288.435 2.513 20 30 CFEDMN CC[C@H](CC#N)N1CCN(Cc2ccccc2)[C@@H](C)C1 ZINC000396568871 769861843 /nfs/dbraw/zinc/86/18/43/769861843.db2.gz NPRJYVXHOJZDMP-DOTOQJQBSA-N 0 1 271.408 2.885 20 30 CFEDMN C=C(C)CCC(=O)NCCN(C)Cc1ccc(C)nc1C ZINC001266278577 769864604 /nfs/dbraw/zinc/86/46/04/769864604.db2.gz KYRCSRDWKCUXBM-UHFFFAOYSA-N 0 1 289.423 2.603 20 30 CFEDMN C=C(C)CCN1CC[C@H]1CNC(=O)c1cc(C)c(C)o1 ZINC001038169212 769906962 /nfs/dbraw/zinc/90/69/62/769906962.db2.gz UQXROZYKWDRUGJ-AWEZNQCLSA-N 0 1 276.380 2.667 20 30 CFEDMN CC/C(C)=C/C(=O)N[C@@H]1CCN(Cc2cccc(C#N)c2)C1 ZINC001266317362 769954459 /nfs/dbraw/zinc/95/44/59/769954459.db2.gz QMPJXWBPXZNUAT-RKCSUWQLSA-N 0 1 297.402 2.605 20 30 CFEDMN C=CC(C)(C)C(=O)N1CC[C@]2(CCN(C/C=C\Cl)C2)C1 ZINC001041538714 769957583 /nfs/dbraw/zinc/95/75/83/769957583.db2.gz BRNBNWQISMHHJQ-SBSDFTTDSA-N 0 1 296.842 2.876 20 30 CFEDMN C=CCOC(=O)N[C@H]1CCCN(C[C@@H](C)C(F)(F)F)C1 ZINC001208897315 769958593 /nfs/dbraw/zinc/95/85/93/769958593.db2.gz DQRJCTVDJZFHMM-MNOVXSKESA-N 0 1 294.317 2.561 20 30 CFEDMN C=CCCCC(=O)NC[C@H](C)N(C)Cc1cnccc1C ZINC001282449423 769966234 /nfs/dbraw/zinc/96/62/34/769966234.db2.gz MQBHFXVKURYOLV-HNNXBMFYSA-N 0 1 289.423 2.683 20 30 CFEDMN CC(C)(C)OC(=O)N1CC[C@H]1CN1CCC[C@H](CC#N)C1 ZINC001208995573 769970280 /nfs/dbraw/zinc/97/02/80/769970280.db2.gz VOYPXFKFZDLNSA-KGLIPLIRSA-N 0 1 293.411 2.621 20 30 CFEDMN C#CCCCCCC(=O)N[C@@H]1CCN(C[C@@H](F)CC)C1 ZINC001266336691 769981192 /nfs/dbraw/zinc/98/11/92/769981192.db2.gz UKYXWOLVQBPFTE-LSDHHAIUSA-N 0 1 282.403 2.509 20 30 CFEDMN CC#CCN(C)CCNC(=O)c1ccc2sccc2c1 ZINC001266345212 769995182 /nfs/dbraw/zinc/99/51/82/769995182.db2.gz YYRZNVIMBUMXBO-UHFFFAOYSA-N 0 1 286.400 2.586 20 30 CFEDMN CC#CCN1CC[C@H](NC(=O)[C@H](CCC)c2ccccc2)C1 ZINC001266355760 770012729 /nfs/dbraw/zinc/01/27/29/770012729.db2.gz NONOUFCTZJUHQI-ZWKOTPCHSA-N 0 1 298.430 2.784 20 30 CFEDMN C=CCCCCN1CCN(C(=O)Cc2ccsc2)CC1 ZINC001209208261 770015586 /nfs/dbraw/zinc/01/55/86/770015586.db2.gz PDHAWDKYAVBBFF-UHFFFAOYSA-N 0 1 292.448 2.791 20 30 CFEDMN C#CCN1CCC(N(CCC)C(=O)/C=C\C(C)(C)C)CC1 ZINC001266384329 770055760 /nfs/dbraw/zinc/05/57/60/770055760.db2.gz DOAMTLAVTPNJCQ-FLIBITNWSA-N 0 1 290.451 2.925 20 30 CFEDMN C=C(Cl)CN[C@@H](CNC(=O)C[C@@H]1C=CCC1)C1CC1 ZINC001266395870 770074294 /nfs/dbraw/zinc/07/42/94/770074294.db2.gz WRAXVYSKLYKDSA-OCCSQVGLSA-N 0 1 282.815 2.580 20 30 CFEDMN C=CCCCCCN1CC(N2C[C@@H](C)O[C@H](C)C2)C1 ZINC001209431482 770084536 /nfs/dbraw/zinc/08/45/36/770084536.db2.gz PDZPDZBIRQJLCN-HUUCEWRRSA-N 0 1 266.429 2.526 20 30 CFEDMN CC#CCN(CC)CCNC(=O)[C@]1(C)CCC[C@H]1CC ZINC001266398624 770086986 /nfs/dbraw/zinc/08/69/86/770086986.db2.gz BDOVZHXXYGGCMG-NVXWUHKLSA-N 0 1 278.440 2.664 20 30 CFEDMN C=CCCCCCCN1CC(N2C[C@H](C)O[C@@H](C)C2)C1 ZINC001209438314 770089551 /nfs/dbraw/zinc/08/95/51/770089551.db2.gz JIVHBQLZPIEKAZ-HOTGVXAUSA-N 0 1 280.456 2.916 20 30 CFEDMN Cc1cc(Cl)ncc1CN1CCC(S)CC1 ZINC001209635175 770120792 /nfs/dbraw/zinc/12/07/92/770120792.db2.gz DEDBSNIZQSIQJK-UHFFFAOYSA-N 0 1 256.802 2.938 20 30 CFEDMN C#CCN1CCC[C@H]1CNC(=O)C/C=C\c1ccc(C)cc1 ZINC001266497176 770210333 /nfs/dbraw/zinc/21/03/33/770210333.db2.gz BTFIKIBRLQVMHG-SUZKBHRPSA-N 0 1 296.414 2.612 20 30 CFEDMN C=CCN1C[C@@H](C)[C@H](NC(=O)[C@@H](F)CCCCCC)C1 ZINC001210306814 770259883 /nfs/dbraw/zinc/25/98/83/770259883.db2.gz BKVHYLXOLAAEBE-QLFBSQMISA-N 0 1 284.419 2.917 20 30 CFEDMN CCOC(=O)c1nnsc1Nc1ccc(C#N)c(C)c1 ZINC001210806115 770377171 /nfs/dbraw/zinc/37/71/71/770377171.db2.gz QZPPVDOTLHOMKK-UHFFFAOYSA-N 0 1 288.332 2.639 20 30 CFEDMN CCCO[C@H]1CCN(Cc2ccc(C#N)c(F)c2)C1 ZINC000706554854 770409461 /nfs/dbraw/zinc/40/94/61/770409461.db2.gz HYEPLYWEHNIIKS-AWEZNQCLSA-N 0 1 262.328 2.698 20 30 CFEDMN CC#CCN(CCNC(=O)[C@H]1C[C@H](C)C[C@H](C)C1)C1CC1 ZINC001266621529 770451978 /nfs/dbraw/zinc/45/19/78/770451978.db2.gz DTMAEVZQJUKJRI-ZSHCYNCHSA-N 0 1 290.451 2.663 20 30 CFEDMN C=CC[C@@H](C=C)Oc1nc(Cl)nc2nc[nH]c21 ZINC000706659293 770466728 /nfs/dbraw/zinc/46/67/28/770466728.db2.gz PSFSIINYXYAPJU-SSDOTTSWSA-N 0 1 250.689 2.516 20 30 CFEDMN CC#CCN1CCCC[C@@H]1CNC(=O)C=C(CC)CC ZINC001266840400 770665542 /nfs/dbraw/zinc/66/55/42/770665542.db2.gz UBGJALDVJIEOKY-MRXNPFEDSA-N 0 1 276.424 2.727 20 30 CFEDMN C=CCN1CC[C@H]2CC[C@@H](C1)N2C(=O)c1occc1CC ZINC001039430798 770668236 /nfs/dbraw/zinc/66/82/36/770668236.db2.gz SRSRETGFKXPYMY-CABCVRRESA-N 0 1 288.391 2.707 20 30 CFEDMN C=C(Cl)CN[C@@H](C)CNC(=O)C(C)(C)C(C)C ZINC001266941928 770759221 /nfs/dbraw/zinc/75/92/21/770759221.db2.gz GUOJNPFYLOUDBD-NSHDSACASA-N 0 1 260.809 2.515 20 30 CFEDMN N#CC[C@H]1CCC[N@H+](Cc2c([O-])cc(F)cc2F)C1 ZINC001140583242 770963215 /nfs/dbraw/zinc/96/32/15/770963215.db2.gz ATMWVGUJPYUNLR-SNVBAGLBSA-N 0 1 266.291 2.796 20 30 CFEDMN C=C(C)C(C)(C)C(=O)NCC[N@H+](C)CCc1cccs1 ZINC001267211716 773213839 /nfs/dbraw/zinc/21/38/39/773213839.db2.gz ZOCKWOBNSDFTOA-UHFFFAOYSA-N 0 1 294.464 2.941 20 30 CFEDMN C=CCC1(C(=O)NCCN(C)CC#CC)CCCCC1 ZINC001267231418 773234036 /nfs/dbraw/zinc/23/40/36/773234036.db2.gz YQWSNIKCBIIJJG-UHFFFAOYSA-N 0 1 276.424 2.584 20 30 CFEDMN CC1=C(OCCOc2ccc3c(c2)CCC3)C(=O)[C@@H](C)O1 ZINC001224303009 775149579 /nfs/dbraw/zinc/14/95/79/775149579.db2.gz UBOFJALONBVFHP-LLVKDONJSA-N 0 1 288.343 2.790 20 30 CFEDMN C=C1CC(C)(C(=O)NCC2CCN(C/C=C/Cl)CC2)C1 ZINC001224486525 775201209 /nfs/dbraw/zinc/20/12/09/775201209.db2.gz WRPRMPUSDZMGAY-ZZXKWVIFSA-N 0 1 296.842 2.923 20 30 CFEDMN C=C(C)[C@@H]1CC=C(C)[C@@H](OCCN2CCN(C)CC2)C1 ZINC001224552953 775216716 /nfs/dbraw/zinc/21/67/16/775216716.db2.gz UTUFSWUHAFCTOJ-SJORKVTESA-N 0 1 278.440 2.551 20 30 CFEDMN C#CCN[C@@H](CNC(=O)[C@]1(C)CC=CCC1)c1ccccc1 ZINC001267362529 775252801 /nfs/dbraw/zinc/25/28/01/775252801.db2.gz RYMJWCOPTDWBOC-PKOBYXMFSA-N 0 1 296.414 2.813 20 30 CFEDMN C=C1O[C@@H](CC)C(=O)C1OCC1CCC(OC)CC1 ZINC001224847453 775287860 /nfs/dbraw/zinc/28/78/60/775287860.db2.gz UBRBCLGMYCHERL-BPCQOVAHSA-N 0 1 268.353 2.818 20 30 CFEDMN O=C(/C=C\c1ccc2c(c1)NC(=O)CO2)c1ccccc1O ZINC000588615375 775292549 /nfs/dbraw/zinc/29/25/49/775292549.db2.gz CDNSYVHNHRKCMZ-ALCCZGGFSA-N 0 1 295.294 2.619 20 30 CFEDMN C[C@H](c1ccccn1)N1CCC[C@@H](OCC2(C#N)CC2)C1 ZINC001224948782 775314186 /nfs/dbraw/zinc/31/41/86/775314186.db2.gz RSODOALCQZGQDB-HUUCEWRRSA-N 0 1 285.391 2.927 20 30 CFEDMN CN(Cc1cc(F)c(C#N)c(F)c1)C[C@@H]1CCCCO1 ZINC001140753244 775403912 /nfs/dbraw/zinc/40/39/12/775403912.db2.gz CJHFHVOUYBQERN-LBPRGKRZSA-N 0 1 280.318 2.837 20 30 CFEDMN CCC1=C(Oc2ccc(CN(C)C)cc2)C(=O)[C@H](C)O1 ZINC001225330987 775413970 /nfs/dbraw/zinc/41/39/70/775413970.db2.gz VPBPPWGBIVFMGV-NSHDSACASA-N 0 1 275.348 2.736 20 30 CFEDMN C=CCN1CCCC[C@@H]1CNC(=O)c1c(C)nsc1C ZINC001024816851 775428769 /nfs/dbraw/zinc/42/87/69/775428769.db2.gz QSEWRDGSGUOIJZ-CYBMUJFWSA-N 0 1 293.436 2.530 20 30 CFEDMN CC#CCN1CC[C@@H](N(CCC)C(=O)/C(C)=C\CC)C1 ZINC001267536892 775441310 /nfs/dbraw/zinc/44/13/10/775441310.db2.gz BXQNTYCRYYUCQG-QOBZYLRHSA-N 0 1 276.424 2.679 20 30 CFEDMN CC#CCN1CC[C@@H](N(CCC)C(=O)c2ccccc2)C1 ZINC001267537683 775442868 /nfs/dbraw/zinc/44/28/68/775442868.db2.gz CSKDNSDZISLLJA-QGZVFWFLSA-N 0 1 284.403 2.636 20 30 CFEDMN CC#CCN1CC[C@@H](N(CCC)C(=O)C[C@@H]2C=CCC2)C1 ZINC001267539771 775447885 /nfs/dbraw/zinc/44/78/85/775447885.db2.gz QCEAVSVTAVRHCO-IAGOWNOFSA-N 0 1 288.435 2.679 20 30 CFEDMN C=CCN1CC[C@H](N(CCC)C(=O)Cc2occc2C)C1 ZINC001267545842 775455378 /nfs/dbraw/zinc/45/53/78/775455378.db2.gz FLBBQTUUZTVBQZ-HNNXBMFYSA-N 0 1 290.407 2.629 20 30 CFEDMN CC#CCN1CC[C@@H](N(CCC)C(=O)[C@@H]2CC23CCC3)C1 ZINC001267547379 775458023 /nfs/dbraw/zinc/45/80/23/775458023.db2.gz MHHPAKIPYKJKDU-CVEARBPZSA-N 0 1 288.435 2.513 20 30 CFEDMN N#CC1CCC(Oc2cc(O)ccc2[N+](=O)[O-])CC1 ZINC001225488108 775476804 /nfs/dbraw/zinc/47/68/04/775476804.db2.gz BFQWTLDAXTUJOG-UHFFFAOYSA-N 0 1 262.265 2.762 20 30 CFEDMN C#CCN(C)Cc1ccc(OC)cc1C(F)(F)F ZINC001143478758 775551285 /nfs/dbraw/zinc/55/12/85/775551285.db2.gz MTKOPNUNFUSIGD-UHFFFAOYSA-N 0 1 257.255 2.779 20 30 CFEDMN C=C(Cl)CN1CCC[C@H]([C@@H](C)NC(=O)C2CCC2)C1 ZINC001025316763 775597811 /nfs/dbraw/zinc/59/78/11/775597811.db2.gz LRXUVKGVFUTMDQ-OCCSQVGLSA-N 0 1 284.831 2.756 20 30 CFEDMN C=C1O[C@H](C)C(=O)C1Oc1ccc(OC)c(F)c1F ZINC001225958242 775647351 /nfs/dbraw/zinc/64/73/51/775647351.db2.gz UJNFIDTWLYOVBW-ZCFIWIBFSA-N 0 1 270.231 2.572 20 30 CFEDMN C[C@@H](CC(C)(C)S)Oc1cccc2[nH]nnc21 ZINC001225991810 775659831 /nfs/dbraw/zinc/65/98/31/775659831.db2.gz KONDQHAUQVBTCE-QMMMGPOBSA-N 0 1 251.355 2.824 20 30 CFEDMN C=C1CCC(C(=O)N[C@H](C)[C@@H]2CCCN(CCF)C2)CC1 ZINC001025525129 775690438 /nfs/dbraw/zinc/69/04/38/775690438.db2.gz YGTQLKKRFLETLE-GDBMZVCRSA-N 0 1 296.430 2.919 20 30 CFEDMN CC[C@@H](C#Cc1ccccc1)Oc1nc(C)cc(=O)[nH]1 ZINC001226159502 775721174 /nfs/dbraw/zinc/72/11/74/775721174.db2.gz OFYWHWKOJSWEPS-AWEZNQCLSA-N 0 1 268.316 2.700 20 30 CFEDMN CC[C@H](C#Cc1ccccc1)Oc1nc(C)cc(=O)[nH]1 ZINC001226159503 775721212 /nfs/dbraw/zinc/72/12/12/775721212.db2.gz OFYWHWKOJSWEPS-CQSZACIVSA-N 0 1 268.316 2.700 20 30 CFEDMN C=C(C)CCN1CC(NC(=O)CC(C2CC2)C2CC2)C1 ZINC001267671923 775766901 /nfs/dbraw/zinc/76/69/01/775766901.db2.gz LOLIXRSVQOGCPC-UHFFFAOYSA-N 0 1 276.424 2.579 20 30 CFEDMN C=CC(C)(C)C(=O)NCC1CN(Cc2ccc(C)cc2)C1 ZINC001267687918 775778413 /nfs/dbraw/zinc/77/84/13/775778413.db2.gz RVBWZPLNNANWIP-UHFFFAOYSA-N 0 1 286.419 2.755 20 30 CFEDMN C=CCCCCCN1C[C@@H]2C[C@H]1CN2C(=O)[C@H](C)SC ZINC001267703120 775790188 /nfs/dbraw/zinc/79/01/88/775790188.db2.gz RUIXQHMQZVSJLF-KKUMJFAQSA-N 0 1 296.480 2.769 20 30 CFEDMN CC(C)C#CC(=O)N1C[C@@H]2C[C@H]1CN2[C@H](C)c1ccccc1 ZINC001267706286 775794172 /nfs/dbraw/zinc/79/41/72/775794172.db2.gz IQAPWYLVBLFLBR-NJAFHUGGSA-N 0 1 296.414 2.692 20 30 CFEDMN C#C[C@@](C)(CC)NCc1ccc(Br)cn1 ZINC000395186518 775798262 /nfs/dbraw/zinc/79/82/62/775798262.db2.gz VMSKUFLZJOSBNW-LBPRGKRZSA-N 0 1 267.170 2.736 20 30 CFEDMN CC(C)CN(CCC#N)C[C@H]1CC[C@H](C(F)(F)F)O1 ZINC000721381169 775807863 /nfs/dbraw/zinc/80/78/63/775807863.db2.gz BWMHWZZVDIIALY-VXGBXAGGSA-N 0 1 278.318 2.968 20 30 CFEDMN C#C[C@H](CCC)Oc1[nH]c(=O)nc2ccc(F)cc21 ZINC001226408257 775809018 /nfs/dbraw/zinc/80/90/18/775809018.db2.gz HLNYHGJVSYUDMO-SNVBAGLBSA-N 0 1 260.268 2.655 20 30 CFEDMN C=CCN1CC[C@H](NC(=O)[C@H](CC)CCCC)C1 ZINC001267719218 775810667 /nfs/dbraw/zinc/81/06/67/775810667.db2.gz QROGJGKURCCSMZ-KGLIPLIRSA-N 0 1 252.402 2.579 20 30 CFEDMN C=CCCC(=O)N[C@H]1CCN(Cc2ccc(C)c(F)c2)C1 ZINC001267722969 775813579 /nfs/dbraw/zinc/81/35/79/775813579.db2.gz NAAZBDKBPOQZIU-HNNXBMFYSA-N 0 1 290.382 2.791 20 30 CFEDMN C=CCN1CC[C@H](NC(=O)CCc2ccc(CC)cc2)C1 ZINC001267734389 775829368 /nfs/dbraw/zinc/82/93/68/775829368.db2.gz GYEHDOUVOCKLMJ-KRWDZBQOSA-N 0 1 286.419 2.558 20 30 CFEDMN C=C[C@@H](CC)Oc1[nH]c(=O)nc2nc(Cl)ccc21 ZINC001226556902 775872678 /nfs/dbraw/zinc/87/26/78/775872678.db2.gz TVKJYDBVOZGTLI-ZETCQYMHSA-N 0 1 265.700 2.727 20 30 CFEDMN CC#CC[C@H](CC)Oc1[nH]c(=O)nc2nc(Cl)ccc21 ZINC001226557124 775873331 /nfs/dbraw/zinc/87/33/31/775873331.db2.gz XMCWCOHSHYSKBS-VIFPVBQESA-N 0 1 291.738 2.955 20 30 CFEDMN CC#CC[C@@H](CC)Oc1[nH]c(=O)nc2nc(Cl)ccc21 ZINC001226557123 775873533 /nfs/dbraw/zinc/87/35/33/775873533.db2.gz XMCWCOHSHYSKBS-SECBINFHSA-N 0 1 291.738 2.955 20 30 CFEDMN C=CC[C@H](CCCC)Oc1[nH]c(=O)nc2cnncc21 ZINC001226692851 775922274 /nfs/dbraw/zinc/92/22/74/775922274.db2.gz RMBOUAJEVFBLSA-SNVBAGLBSA-N 0 1 274.324 2.639 20 30 CFEDMN C=CC[C@@H](CCCC)Oc1[nH]c(=O)nc2cnncc21 ZINC001226692850 775923346 /nfs/dbraw/zinc/92/33/46/775923346.db2.gz RMBOUAJEVFBLSA-JTQLQIEISA-N 0 1 274.324 2.639 20 30 CFEDMN CC#CC[C@H](CC)Oc1nc[nH]c(=O)c1Br ZINC001226722116 775938212 /nfs/dbraw/zinc/93/82/12/775938212.db2.gz OJZQBBLFLKJVOF-QMMMGPOBSA-N 0 1 285.141 2.516 20 30 CFEDMN C=CCCC(=O)NC[C@@H](CC)NCc1c(F)cccc1F ZINC001267799594 775941508 /nfs/dbraw/zinc/94/15/08/775941508.db2.gz ZESYIDWFNHYOTI-GFCCVEGCSA-N 0 1 296.361 2.915 20 30 CFEDMN C=CC[C@H](CCC)Oc1nc2[nH]cnc2c(=S)[nH]1 ZINC001226784115 775964015 /nfs/dbraw/zinc/96/40/15/775964015.db2.gz DPIAAYLWABSSTQ-MRVPVSSYSA-N 0 1 264.354 2.765 20 30 CFEDMN C[C@@H](CC(C)(C)C#N)NCc1c(Br)cnn1C ZINC000695793153 776012668 /nfs/dbraw/zinc/01/26/68/776012668.db2.gz ZPKJZTGAXIFCEU-VIFPVBQESA-N 0 1 299.216 2.601 20 30 CFEDMN C#C[C@H](Oc1[nH]c(=O)nc2cnccc21)[C@H](CC)CCCC ZINC001226973911 776040204 /nfs/dbraw/zinc/04/02/04/776040204.db2.gz KIMYXTOPYNZMTB-DOMZBBRYSA-N 0 1 299.374 2.915 20 30 CFEDMN C=C(C)C[C@@H](Oc1[nH]c(=O)nc2cnccc21)C(=C)C ZINC001226975961 776042915 /nfs/dbraw/zinc/04/29/15/776042915.db2.gz GAKLHWAPOROIEN-CYBMUJFWSA-N 0 1 271.320 2.608 20 30 CFEDMN C=C(Cl)CN[C@H]1CN(C(=O)CCCCC)C[C@@H]1C ZINC001281373922 776074472 /nfs/dbraw/zinc/07/44/72/776074472.db2.gz LOPJQCBQQMQBQO-AAEUAGOBSA-N 0 1 272.820 2.756 20 30 CFEDMN Cc1[nH]c(=O)nc(O[C@@H](C)C#C[Si](C)(C)C)c1Cl ZINC001227111827 776102103 /nfs/dbraw/zinc/10/21/03/776102103.db2.gz REYLRYXYKKDAJF-QMMMGPOBSA-N 0 1 284.819 2.792 20 30 CFEDMN Cc1[nH]c(=O)nc(O[C@H](C)C#C[Si](C)(C)C)c1Cl ZINC001227111824 776102184 /nfs/dbraw/zinc/10/21/84/776102184.db2.gz REYLRYXYKKDAJF-MRVPVSSYSA-N 0 1 284.819 2.792 20 30 CFEDMN C=C1O[C@H](C)C(=O)C1Oc1cc(C(=O)OC)ccc1Cl ZINC001227157909 776119051 /nfs/dbraw/zinc/11/90/51/776119051.db2.gz FBJOXPOBQJYQTB-SSDOTTSWSA-N 0 1 296.706 2.725 20 30 CFEDMN N#Cc1cc(Cl)ccc1O[C@@H]1CN2CCC1CC2 ZINC001227205484 776137406 /nfs/dbraw/zinc/13/74/06/776137406.db2.gz KXAVYQMZLXVEGQ-CQSZACIVSA-N 0 1 262.740 2.685 20 30 CFEDMN CC#C[C@@H](CC)Oc1[nH]c(=O)nc2ccc(C)cc21 ZINC001227346552 776181438 /nfs/dbraw/zinc/18/14/38/776181438.db2.gz JYOKFGFSBDIXLD-LLVKDONJSA-N 0 1 256.305 2.825 20 30 CFEDMN C=CCC[C@H](C)N1CCO[C@H](CNC(=O)/C(C)=C\CC)C1 ZINC001268018953 776222632 /nfs/dbraw/zinc/22/26/32/776222632.db2.gz WELCMAQPRXNBFN-YPCCIVHHSA-N 0 1 294.439 2.514 20 30 CFEDMN C=C[C@@H](Oc1ncnc2nc[nH]c21)c1ccccc1 ZINC001227533915 776223080 /nfs/dbraw/zinc/22/30/80/776223080.db2.gz HZIOKXHKGATBBL-LLVKDONJSA-N 0 1 252.277 2.659 20 30 CFEDMN C=C(C)CCC(=O)NC1CCN(Cc2cccnc2)CC1 ZINC001227588703 776236315 /nfs/dbraw/zinc/23/63/15/776236315.db2.gz TVAHRTNJWXANMY-UHFFFAOYSA-N 0 1 287.407 2.519 20 30 CFEDMN N#CC(C(=O)CC1CCCCC1)C(=O)Nc1ccccn1 ZINC000125125904 776252046 /nfs/dbraw/zinc/25/20/46/776252046.db2.gz NJSUSDMJVJHZMD-CYBMUJFWSA-N 0 1 285.347 2.699 20 30 CFEDMN C=C[C@@H](CCC)Oc1nc(=O)[nH]c2c1CO[C@@H]2C ZINC001227715811 776269068 /nfs/dbraw/zinc/26/90/68/776269068.db2.gz HAHGAAUXUMMMHY-BDAKNGLRSA-N 0 1 250.298 2.507 20 30 CFEDMN Cc1ccc(C#N)c(NC(=O)[C@]23C[C@H]2CCN3CC2CC2)c1 ZINC001277236485 776276670 /nfs/dbraw/zinc/27/66/70/776276670.db2.gz RQRLQAHTLRFANK-QAPCUYQASA-N 0 1 295.386 2.680 20 30 CFEDMN C=C1O[C@H](CC)C(=O)C1Oc1cnc(Cl)c(C#N)c1 ZINC001227746721 776277065 /nfs/dbraw/zinc/27/70/65/776277065.db2.gz DBMLZLWOHLIFTB-SNVBAGLBSA-N 0 1 278.695 2.595 20 30 CFEDMN C=C[C@@H](CCCCC)Oc1c[nH]c(C(=O)OC)cc1=O ZINC001227783675 776289196 /nfs/dbraw/zinc/28/91/96/776289196.db2.gz ODGNAGJUOKCJMC-NSHDSACASA-N 0 1 279.336 2.675 20 30 CFEDMN N#CC(C(=O)CCOCc1ccccc1)c1ccccn1 ZINC000125470111 776315372 /nfs/dbraw/zinc/31/53/72/776315372.db2.gz JAAPNEUIDIYEJP-HNNXBMFYSA-N 0 1 280.327 2.865 20 30 CFEDMN C=C(C)CN1CC[C@@H]1CNC(=O)[C@@H]1CCc2ccccc2C1 ZINC001038755233 776369154 /nfs/dbraw/zinc/36/91/54/776369154.db2.gz MUMKDVRRBRCEHZ-QZTJIDSGSA-N 0 1 298.430 2.558 20 30 CFEDMN C=C(C)CN1CCC[C@H]1CNC(=O)c1ccc(Cl)o1 ZINC001027756371 776441347 /nfs/dbraw/zinc/44/13/47/776441347.db2.gz IXLQQBJSXHOCDP-NSHDSACASA-N 0 1 282.771 2.703 20 30 CFEDMN O=C(NCCNCC#Cc1ccccc1)C1=CCCCCC1 ZINC001126210611 776445281 /nfs/dbraw/zinc/44/52/81/776445281.db2.gz UIRSDMFMHMLCKX-UHFFFAOYSA-N 0 1 296.414 2.634 20 30 CFEDMN CC#CCN1CCC[C@@H]1CNC(=O)c1ccc2occc2c1 ZINC001027900042 776500006 /nfs/dbraw/zinc/50/00/06/776500006.db2.gz UKWCCGRWHUCWCR-MRXNPFEDSA-N 0 1 296.370 2.650 20 30 CFEDMN C=CC[C@H](Oc1nc(Cl)nc2nc[nH]c21)C(C)C ZINC001228507372 776508527 /nfs/dbraw/zinc/50/85/27/776508527.db2.gz NNMJNZFJGHEPQW-QMMMGPOBSA-N 0 1 266.732 2.986 20 30 CFEDMN C=CCN1CCC[C@H]1CNC(=O)c1cc2c(o1)CCCC2 ZINC001027927477 776515240 /nfs/dbraw/zinc/51/52/40/776515240.db2.gz RMTJGNQHVCAFMI-AWEZNQCLSA-N 0 1 288.391 2.539 20 30 CFEDMN CC#CCN1CCC[C@H]1CNC(=O)c1cscc1Cl ZINC001027953768 776524242 /nfs/dbraw/zinc/52/42/42/776524242.db2.gz TZIIKUNBLKWDIR-NSHDSACASA-N 0 1 296.823 2.619 20 30 CFEDMN C=C(C)C(C)(C)C(=O)NC1CCN(C/C=C\Cl)CC1 ZINC001228596622 776534041 /nfs/dbraw/zinc/53/40/41/776534041.db2.gz KECWJLYBKUYIPL-YVMONPNESA-N 0 1 284.831 2.922 20 30 CFEDMN C=CC[C@H](Oc1nc(C2CC2)[nH]c(=O)c1[N+](=O)[O-])C(C)C ZINC001228610440 776538890 /nfs/dbraw/zinc/53/88/90/776538890.db2.gz VMROCAFDHGJZHU-JTQLQIEISA-N 0 1 293.323 2.947 20 30 CFEDMN C#CCCCCCC(=O)NC1CCN(C/C=C\Cl)CC1 ZINC001228637275 776548139 /nfs/dbraw/zinc/54/81/39/776548139.db2.gz PPCDTTMWNZNIDT-XFFZJAGNSA-N 0 1 296.842 2.903 20 30 CFEDMN C=C[C@@H](CC(=O)OC(C)(C)C)Oc1ccc2[nH]nnc2c1 ZINC001228663613 776557421 /nfs/dbraw/zinc/55/74/21/776557421.db2.gz FQJFHBQNQQSUDD-JTQLQIEISA-N 0 1 289.335 2.623 20 30 CFEDMN C#CCN1CCC[C@@H]1CNC(=O)C1CCCCCCC1 ZINC001028016282 776557719 /nfs/dbraw/zinc/55/77/19/776557719.db2.gz GTKJVVCIONBPKY-MRXNPFEDSA-N 0 1 276.424 2.561 20 30 CFEDMN CC#CCN1CCC[C@@H]1CNC(=O)c1ccccc1CCC ZINC001028017512 776558453 /nfs/dbraw/zinc/55/84/53/776558453.db2.gz FKNIFDASRKESFD-QGZVFWFLSA-N 0 1 298.430 2.857 20 30 CFEDMN C=C(C)CN1CCC[C@@H]1CNC(=O)c1ncc(Cl)s1 ZINC001028024748 776562376 /nfs/dbraw/zinc/56/23/76/776562376.db2.gz SQMVSCYBCZFFFP-SNVBAGLBSA-N 0 1 299.827 2.567 20 30 CFEDMN C=C(C)CN1CCC[C@@H]1CNC(=O)c1cc2ncccc2o1 ZINC001028030692 776563113 /nfs/dbraw/zinc/56/31/13/776563113.db2.gz HHGHWXJKHVSLOK-CYBMUJFWSA-N 0 1 299.374 2.598 20 30 CFEDMN C#C[C@@H](C)Oc1nc2cccc(Br)c2[nH]1 ZINC001228681854 776566520 /nfs/dbraw/zinc/56/65/20/776566520.db2.gz MIPARECSROAZDC-SSDOTTSWSA-N 0 1 265.110 2.726 20 30 CFEDMN C=CCc1cc(C)cnc1NCCN1CCSCC1 ZINC001167834583 776577386 /nfs/dbraw/zinc/57/73/86/776577386.db2.gz LKXWJJLZWNHTNH-UHFFFAOYSA-N 0 1 277.437 2.579 20 30 CFEDMN C=Cc1ccc(C(=O)NC[C@@H]2CCCN2CC#CC)cc1 ZINC001028157050 776668229 /nfs/dbraw/zinc/66/82/29/776668229.db2.gz WSLHDRWWQNCTDH-KRWDZBQOSA-N 0 1 282.387 2.547 20 30 CFEDMN C=CCN1CCC[C@@H]1CNC(=O)c1cc([C@@H](C)CC)no1 ZINC001028188322 776690247 /nfs/dbraw/zinc/69/02/47/776690247.db2.gz ZPGVOCFMBWSRHJ-QWHCGFSZSA-N 0 1 291.395 2.568 20 30 CFEDMN C=CCCC(=O)NC[C@H](NCc1ncc(C)s1)C(C)C ZINC001268204199 776703883 /nfs/dbraw/zinc/70/38/83/776703883.db2.gz HJRMXVMCKPHKLC-ZDUSSCGKSA-N 0 1 295.452 2.648 20 30 CFEDMN C#CCN1CC[C@H]2CC[C@@H](C1)N2C(=O)C1(CCC)CCC1 ZINC001277352756 776704311 /nfs/dbraw/zinc/70/43/11/776704311.db2.gz XZZJRHJTWDSZFP-CVEARBPZSA-N 0 1 288.435 2.655 20 30 CFEDMN C#CCN(C)CCN(C)C(=O)CC(C1CCC1)C1CCC1 ZINC001268251904 776722543 /nfs/dbraw/zinc/72/25/43/776722543.db2.gz RDANZFBNJFVQFW-UHFFFAOYSA-N 0 1 290.451 2.616 20 30 CFEDMN C=C(C)[C@@H]1CC=C(C)[C@H](Oc2[nH]c(=O)[nH]c(=O)c2F)C1 ZINC001229120077 776725112 /nfs/dbraw/zinc/72/51/12/776725112.db2.gz PVACZSJYMMAHBN-NXEZZACHSA-N 0 1 280.299 2.707 20 30 CFEDMN C#CCCCCC(=O)NC1CN(C[C@H](C)CC(C)C)C1 ZINC001268278835 776734363 /nfs/dbraw/zinc/73/43/63/776734363.db2.gz BGDNOOXGLHZKCN-OAHLLOKOSA-N 0 1 278.440 2.663 20 30 CFEDMN C#CCCCC(=O)NCCNCc1ccc(C)cc1Cl ZINC001126338454 776739873 /nfs/dbraw/zinc/73/98/73/776739873.db2.gz BBMXOVFEVFFOSZ-UHFFFAOYSA-N 0 1 292.810 2.658 20 30 CFEDMN C=CCC[C@H](C)N1CC(NC(=O)[C@H](CC)CC(F)F)C1 ZINC001268317187 776747395 /nfs/dbraw/zinc/74/73/95/776747395.db2.gz GLOOXTJLFIRMOG-NWDGAFQWSA-N 0 1 288.382 2.823 20 30 CFEDMN C=C1O[C@@H](C)C(=O)C1Oc1cc(F)c(F)cc1F ZINC001229216672 776754219 /nfs/dbraw/zinc/75/42/19/776754219.db2.gz TVVDSZJGTDUGRU-YFKPBYRVSA-N 0 1 258.195 2.702 20 30 CFEDMN C=CCC[C@H](C)N1CC(NC(=O)c2nccc3occc32)C1 ZINC001268349682 776759682 /nfs/dbraw/zinc/75/96/82/776759682.db2.gz HHAUCQXQKWRTFK-LBPRGKRZSA-N 0 1 299.374 2.597 20 30 CFEDMN C=CCN1CCC[C@@H]1CNC(=O)c1cc(CC)c(CC)o1 ZINC001028267356 776775387 /nfs/dbraw/zinc/77/53/87/776775387.db2.gz IHLUAGKIEQEMSB-CQSZACIVSA-N 0 1 290.407 2.785 20 30 CFEDMN CC#CCN1CCC(NC(=O)CCc2ccccc2C)CC1 ZINC001229356193 776788094 /nfs/dbraw/zinc/78/80/94/776788094.db2.gz ZRMBIAZGHSZLLC-UHFFFAOYSA-N 0 1 298.430 2.532 20 30 CFEDMN C#CCN1CCC[C@H]1CNC(=O)c1ccc(C(C)C)cc1 ZINC001028279751 776797920 /nfs/dbraw/zinc/79/79/20/776797920.db2.gz AQXYDMKVOGXVLG-KRWDZBQOSA-N 0 1 284.403 2.637 20 30 CFEDMN C=C[C@H](Oc1nc(C)nc2[nH]cnc21)c1ccccc1 ZINC001229438496 776811001 /nfs/dbraw/zinc/81/10/01/776811001.db2.gz NKXCUUOMPVNSBK-LBPRGKRZSA-N 0 1 266.304 2.967 20 30 CFEDMN COc1c(F)cccc1CN1CCC(CC#N)CC1 ZINC001143532224 776814840 /nfs/dbraw/zinc/81/48/40/776814840.db2.gz CSEGAPHMVKKWJE-UHFFFAOYSA-N 0 1 262.328 2.960 20 30 CFEDMN CC#CCN1CCC(NC(=O)[C@H](C)CC2CCCC2)CC1 ZINC001229453337 776819303 /nfs/dbraw/zinc/81/93/03/776819303.db2.gz MTMKJKLOIVBGGU-OAHLLOKOSA-N 0 1 290.451 2.807 20 30 CFEDMN C=C(C)C(C)(C)C(=O)N(CC)CCNCc1ocnc1C ZINC001268468856 776855109 /nfs/dbraw/zinc/85/51/09/776855109.db2.gz GQAMXZKOBBVBGS-UHFFFAOYSA-N 0 1 293.411 2.523 20 30 CFEDMN C=CCC[C@H](C)N1CC(NC(=O)C[C@H](C)n2cccc2)C1 ZINC001268475193 776864368 /nfs/dbraw/zinc/86/43/68/776864368.db2.gz YWHVAKNTDXMGSB-GJZGRUSLSA-N 0 1 289.423 2.594 20 30 CFEDMN CC#CCN1CCC[C@H]1CNC(=O)c1coc2ccccc12 ZINC001028349867 776866662 /nfs/dbraw/zinc/86/66/62/776866662.db2.gz VPVYAQMIJVCLKE-AWEZNQCLSA-N 0 1 296.370 2.650 20 30 CFEDMN C=C1O[C@H](CC)C(=O)C1Oc1nc2ccc(OC)cc2[nH]1 ZINC001229728734 776880659 /nfs/dbraw/zinc/88/06/59/776880659.db2.gz CBPLTEIPJXRTMO-GFCCVEGCSA-N 0 1 288.303 2.560 20 30 CFEDMN C#C[C@@H](Oc1nc2ccc(OC)cc2[nH]1)c1ccncc1 ZINC001229728369 776881042 /nfs/dbraw/zinc/88/10/42/776881042.db2.gz SPJPXIZEVKEZDM-OAHLLOKOSA-N 0 1 279.299 2.720 20 30 CFEDMN C=CCC[C@@H](C)N1CC(NC(=O)c2cccn2C(C)C)C1 ZINC001268484683 776882131 /nfs/dbraw/zinc/88/21/31/776882131.db2.gz LFDTXPMFHILPQJ-CQSZACIVSA-N 0 1 289.423 2.838 20 30 CFEDMN CC[N@H+]1CCC[C@H](Oc2ccccc2/C(C)=N/O)C1 ZINC001229736677 776884219 /nfs/dbraw/zinc/88/42/19/776884219.db2.gz HKVHIAMMHUSULA-HKJJFUAXSA-N 0 1 262.353 2.748 20 30 CFEDMN CC[N@@H+]1CCC[C@H](Oc2ccccc2/C(C)=N/[O-])C1 ZINC001229736677 776884222 /nfs/dbraw/zinc/88/42/22/776884222.db2.gz HKVHIAMMHUSULA-HKJJFUAXSA-N 0 1 262.353 2.748 20 30 CFEDMN CC[N@H+]1CCC[C@H](Oc2ccccc2/C(C)=N/[O-])C1 ZINC001229736677 776884229 /nfs/dbraw/zinc/88/42/29/776884229.db2.gz HKVHIAMMHUSULA-HKJJFUAXSA-N 0 1 262.353 2.748 20 30 CFEDMN C=C(Cl)CNCCN(CC)C(=O)C(C1CC1)C1CC1 ZINC001268490194 776889483 /nfs/dbraw/zinc/88/94/83/776889483.db2.gz DLQVFBMMPDOWGJ-UHFFFAOYSA-N 0 1 284.831 2.613 20 30 CFEDMN CC1=CC(=O)c2c(O[C@H]3CCCN(C)CC3)cccc2C1=O ZINC001229914565 776917043 /nfs/dbraw/zinc/91/70/43/776917043.db2.gz UTHZGKZIACSTBN-ZDUSSCGKSA-N 0 1 299.370 2.875 20 30 CFEDMN C=C1O[C@H](CC)C(=O)C1Oc1ccc([N+](=O)[O-])nc1Cl ZINC001229920670 776918755 /nfs/dbraw/zinc/91/87/55/776918755.db2.gz WGRIYGVKOJYSFQ-SSDOTTSWSA-N 0 1 298.682 2.631 20 30 CFEDMN N#C[C@H](Oc1nc[nH]c(=O)c1Cl)c1cccc(F)c1 ZINC001230019216 776941742 /nfs/dbraw/zinc/94/17/42/776941742.db2.gz ZKZDRMPAJPIGSZ-VIFPVBQESA-N 0 1 279.658 2.618 20 30 CFEDMN C=CCOCc1ncn2c1CN([C@@H]1C[C@H]3C[C@H]3C1)CCC2 ZINC001167929476 776958462 /nfs/dbraw/zinc/95/84/62/776958462.db2.gz XQGZSIMRNQCEEE-QDMKHBRRSA-N 0 1 287.407 2.590 20 30 CFEDMN C=C1O[C@H](CC)C(=O)C1Oc1cc(F)cc(C(=O)OC)c1 ZINC001230420811 776991362 /nfs/dbraw/zinc/99/13/62/776991362.db2.gz DTLURHTUBPRHCW-GFCCVEGCSA-N 0 1 294.278 2.601 20 30 CFEDMN C=C(Cl)CNC/C=C/CNC(=O)c1ccc(C)cc1C ZINC001268621363 776999824 /nfs/dbraw/zinc/99/98/24/776999824.db2.gz GUXSTMZAAVSUHK-SNAWJCMRSA-N 0 1 292.810 2.932 20 30 CFEDMN C=C/C(C)=C/CC(=O)N[C@H](C)CNCc1ccccc1C#N ZINC001268658164 777011180 /nfs/dbraw/zinc/01/11/80/777011180.db2.gz OPORQOZFIJSVAS-AAWPKVBNSA-N 0 1 297.402 2.675 20 30 CFEDMN C=C(Cl)CNC[C@@H](C)NC(=O)C1CCC=CCC1 ZINC001268672847 777016718 /nfs/dbraw/zinc/01/67/18/777016718.db2.gz BDXNDNIPWGMOON-GFCCVEGCSA-N 0 1 270.804 2.580 20 30 CFEDMN C=CCCCCCN1CC[C@H]1CN(C)C(=O)C(F)F ZINC001230578450 777016698 /nfs/dbraw/zinc/01/66/98/777016698.db2.gz KQYYVEZSDCBARM-LBPRGKRZSA-N 0 1 274.355 2.531 20 30 CFEDMN C=CCN(CCCNC(=O)CCCC)Cc1cccnc1 ZINC001230675129 777040589 /nfs/dbraw/zinc/04/05/89/777040589.db2.gz MBTDGCWXOKFWLQ-UHFFFAOYSA-N 0 1 289.423 2.766 20 30 CFEDMN C#CCN(C)C[C@@H](C)NC(=O)c1c(CC)oc2ccccc21 ZINC001268760256 777048011 /nfs/dbraw/zinc/04/80/11/777048011.db2.gz UCGBYRKTRCPOHT-CYBMUJFWSA-N 0 1 298.386 2.679 20 30 CFEDMN C=C(C)CN1CC[C@@H]1CN(C)C(=O)CCCCC ZINC001230775903 777062223 /nfs/dbraw/zinc/06/22/23/777062223.db2.gz MUZKLLMTZGLTGD-CQSZACIVSA-N 0 1 252.402 2.676 20 30 CFEDMN C=CCC(CC=C)C(=O)NCC1CN(CC=C(C)C)C1 ZINC001268833048 777063966 /nfs/dbraw/zinc/06/39/66/777063966.db2.gz BXYMMODYAKVKNL-UHFFFAOYSA-N 0 1 276.424 2.769 20 30 CFEDMN C=C(C)CN1CC(CNC(=O)CCCCCC)C1 ZINC001268900784 777072235 /nfs/dbraw/zinc/07/22/35/777072235.db2.gz OXMSDEOHQDCTOF-UHFFFAOYSA-N 0 1 252.402 2.581 20 30 CFEDMN C#C[C@@H]1CCC[C@H]1Oc1[nH]c(=O)nc2cc(C)ccc21 ZINC001230889218 777083290 /nfs/dbraw/zinc/08/32/90/777083290.db2.gz SRNJZTFYCREWKN-BXUZGUMPSA-N 0 1 268.316 2.825 20 30 CFEDMN C=CCC[C@H](C)N1CC[C@@H]1CN(C)C(=O)c1cncs1 ZINC001230916086 777093037 /nfs/dbraw/zinc/09/30/37/777093037.db2.gz LCBZCTKEFBKUJR-QWHCGFSZSA-N 0 1 293.436 2.644 20 30 CFEDMN CCCCCCCC(=O)N1C[C@H]2CC[C@@H](C1)N2C ZINC001269076066 777097208 /nfs/dbraw/zinc/09/72/08/777097208.db2.gz QWJRJQHTTUQBSB-OKILXGFUSA-N 0 1 252.402 2.652 20 30 CFEDMN C=C1O[C@H](CC)C(=O)C1Oc1cc2[nH]ncc2c(F)c1 ZINC001230935522 777097876 /nfs/dbraw/zinc/09/78/76/777097876.db2.gz RCGPTSSNIWQXOQ-GFCCVEGCSA-N 0 1 276.267 2.690 20 30 CFEDMN C=CCN1CC[C@H](NC(=O)C[C@@H](CC)c2ccccc2)C1 ZINC001269083329 777098476 /nfs/dbraw/zinc/09/84/76/777098476.db2.gz HWDWGLGDYSEKEJ-WBVHZDCISA-N 0 1 286.419 2.947 20 30 CFEDMN C=C(Cl)CNC[C@@H](NC(=O)CC(C)=C(C)C)C1CC1 ZINC001269104159 777101448 /nfs/dbraw/zinc/10/14/48/777101448.db2.gz MULHWKKFUBKPET-CQSZACIVSA-N 0 1 284.831 2.970 20 30 CFEDMN C#CC[C@@H](CC)Oc1[nH]c(=O)nc2cccc(F)c21 ZINC001231074451 777132327 /nfs/dbraw/zinc/13/23/27/777132327.db2.gz OBESYVJTWZWBJS-SECBINFHSA-N 0 1 260.268 2.655 20 30 CFEDMN C#CC[C@H](CC)Oc1[nH]c(=O)nc2cccc(F)c21 ZINC001231074452 777132613 /nfs/dbraw/zinc/13/26/13/777132613.db2.gz OBESYVJTWZWBJS-VIFPVBQESA-N 0 1 260.268 2.655 20 30 CFEDMN CN(CC#Cc1ccccc1)CCCNC(=O)C1CCCC1 ZINC001231099782 777139828 /nfs/dbraw/zinc/13/98/28/777139828.db2.gz VHZLRNNOPMMBKK-UHFFFAOYSA-N 0 1 298.430 2.666 20 30 CFEDMN C#CCN1CC[C@@H](N(C)C(=O)CCCC[C@@H](C)CC)C1 ZINC001269246293 777149792 /nfs/dbraw/zinc/14/97/92/777149792.db2.gz VIOCJADFMPKKPT-JKSUJKDBSA-N 0 1 278.440 2.759 20 30 CFEDMN C#CCN1CC[C@H](N(C)C(=O)CCCC[C@H](C)CC)C1 ZINC001269246290 777150170 /nfs/dbraw/zinc/15/01/70/777150170.db2.gz VIOCJADFMPKKPT-CVEARBPZSA-N 0 1 278.440 2.759 20 30 CFEDMN C=C(C)C(C)(C)C(=O)NC[C@@H]1CCN1CCCCCF ZINC001269273551 777155004 /nfs/dbraw/zinc/15/50/04/777155004.db2.gz ZJGXMHCTTBQILM-AWEZNQCLSA-N 0 1 284.419 2.919 20 30 CFEDMN C=CCN1CC[C@@H]1CN(C)C(=O)CCCC(C)(C)C ZINC001231240432 777177054 /nfs/dbraw/zinc/17/70/54/777177054.db2.gz KFAQQARYWGEZBL-CQSZACIVSA-N 0 1 266.429 2.922 20 30 CFEDMN Cc1cc(O)c([N+](=O)[O-])c(O[C@@H](C)C#C[Si](C)(C)C)n1 ZINC001231265117 777181218 /nfs/dbraw/zinc/18/12/18/777181218.db2.gz YOVNCNCTBXHPIC-JTQLQIEISA-N 0 1 294.383 2.652 20 30 CFEDMN C=C[C@@H](CC)Oc1[nH]c(=O)nc2c(OC)cccc12 ZINC001231350158 777199245 /nfs/dbraw/zinc/19/92/45/777199245.db2.gz RJRNURFPJFGUQR-VIFPVBQESA-N 0 1 260.293 2.687 20 30 CFEDMN CC#CCN1CC[C@H]2CC[C@@H](C1)N2C(=O)[C@H](C)CCCC ZINC001269589660 777217312 /nfs/dbraw/zinc/21/73/12/777217312.db2.gz NHYLXLHQUQIOQM-ZACQAIPSSA-N 0 1 290.451 2.901 20 30 CFEDMN C=CCCCN1CC(N(C)C(=O)CC[C@@H](C)CC)C1 ZINC001269867096 777263239 /nfs/dbraw/zinc/26/32/39/777263239.db2.gz QUDAZYJAPSBNAV-AWEZNQCLSA-N 0 1 266.429 2.922 20 30 CFEDMN C#Cc1cccc(CN2CCC[C@@H](C(F)(F)F)[C@H]2CO)c1 ZINC001231658418 777296905 /nfs/dbraw/zinc/29/69/05/777296905.db2.gz VXYHEOZLSJIKBY-HUUCEWRRSA-N 0 1 297.320 2.803 20 30 CFEDMN C#Cc1cccc(CN2CCN(c3ccc(C)cn3)CC2)c1 ZINC001231659592 777298047 /nfs/dbraw/zinc/29/80/47/777298047.db2.gz PLHTXVFVTVTODE-UHFFFAOYSA-N 0 1 291.398 2.694 20 30 CFEDMN C#Cc1cccc(CN2CCCN(C(=O)C3CCC3)CC2)c1 ZINC001231660019 777298758 /nfs/dbraw/zinc/29/87/58/777298758.db2.gz ZFPJOHROKVTUKU-UHFFFAOYSA-N 0 1 296.414 2.502 20 30 CFEDMN C#Cc1cccc(CN2CCC[C@@H](NC(=O)C3CCC3)C2)c1 ZINC001231664882 777301931 /nfs/dbraw/zinc/30/19/31/777301931.db2.gz YKVDWQANZOSICT-GOSISDBHSA-N 0 1 296.414 2.549 20 30 CFEDMN C[C@H]1CC[N@@H+](Cc2ccc(N(C)CCC#N)cc2)CCC1=O ZINC001231816252 777343801 /nfs/dbraw/zinc/34/38/01/777343801.db2.gz KROFMASOXUZSOW-HNNXBMFYSA-N 0 1 299.418 2.837 20 30 CFEDMN C[C@H]1CCN(Cc2ccc(N(C)CCC#N)cc2)CCC1=O ZINC001231816252 777343808 /nfs/dbraw/zinc/34/38/08/777343808.db2.gz KROFMASOXUZSOW-HNNXBMFYSA-N 0 1 299.418 2.837 20 30 CFEDMN C#CCN1CCC(C)(NC(=O)C[C@@H]2CCCC[C@@H]2C)CC1 ZINC001270266843 777345344 /nfs/dbraw/zinc/34/53/44/777345344.db2.gz ROBXUKOJGLHLOF-HOTGVXAUSA-N 0 1 290.451 2.807 20 30 CFEDMN CCCOc1ncccc1CN1CCC(S)CC1 ZINC001231864644 777356813 /nfs/dbraw/zinc/35/68/13/777356813.db2.gz VWGZUOABZLQNGB-UHFFFAOYSA-N 0 1 266.410 2.765 20 30 CFEDMN N#CCCN[C@H]1CCc2cccc(Br)c2C1 ZINC000335203211 777384645 /nfs/dbraw/zinc/38/46/45/777384645.db2.gz SDZJOTPESHDZSY-NSHDSACASA-N 0 1 279.181 2.810 20 30 CFEDMN C=C(C)CN1C[C@@H]2CCN(C(=O)c3sccc3F)[C@@H]2C1 ZINC001075760901 777427156 /nfs/dbraw/zinc/42/71/56/777427156.db2.gz JZBFQIBBJAWTTP-WCQYABFASA-N 0 1 294.395 2.610 20 30 CFEDMN C[C@H]1CC[C@@H](CO)N1Cc1ccc(C#N)c(Cl)c1 ZINC001232112213 777444313 /nfs/dbraw/zinc/44/43/13/777444313.db2.gz RMGDMQCMXLPYKO-GWCFXTLKSA-N 0 1 264.756 2.557 20 30 CFEDMN N#Cc1ccc(CN2CC[C@@H](O)[C@@H](F)CC2)cc1Cl ZINC001232112216 777444490 /nfs/dbraw/zinc/44/44/90/777444490.db2.gz RORVUJFNTULNPI-UONOGXRCSA-N 0 1 282.746 2.506 20 30 CFEDMN CC#CCN1CC[C@H](NC(=O)c2ccc(C)s2)[C@H]1CC ZINC001087487305 777497291 /nfs/dbraw/zinc/49/72/91/777497291.db2.gz XNDQGHRNFUEPRM-UONOGXRCSA-N 0 1 290.432 2.663 20 30 CFEDMN CSc1ccc(CN2CCC(S)CC2)cn1 ZINC001232333616 777524882 /nfs/dbraw/zinc/52/48/82/777524882.db2.gz VTECCSLSOYLTSG-UHFFFAOYSA-N 0 1 254.424 2.698 20 30 CFEDMN COc1cc(C)c(C[N@@H+](C)Cc2ccc(C#N)cc2)cn1 ZINC001232354041 777534520 /nfs/dbraw/zinc/53/45/20/777534520.db2.gz DFILRQZTDZSQSB-UHFFFAOYSA-N 0 1 281.359 2.902 20 30 CFEDMN COc1cc(C)c(CN(C)Cc2ccc(C#N)cc2)cn1 ZINC001232354041 777534528 /nfs/dbraw/zinc/53/45/28/777534528.db2.gz DFILRQZTDZSQSB-UHFFFAOYSA-N 0 1 281.359 2.902 20 30 CFEDMN Cc1ncc(CN2CCC(C#N)(c3ccccc3F)CC2)[nH]1 ZINC001232467613 777571512 /nfs/dbraw/zinc/57/15/12/777571512.db2.gz HNOIEEUYYCQGGY-UHFFFAOYSA-N 0 1 298.365 2.915 20 30 CFEDMN COc1ccccc1CC[N@@H+](C)Cc1cc(C#N)ccn1 ZINC001232479043 777575278 /nfs/dbraw/zinc/57/52/78/777575278.db2.gz MDGIWWSYEKWUTK-UHFFFAOYSA-N 0 1 281.359 2.636 20 30 CFEDMN COc1ccccc1CCN(C)Cc1cc(C#N)ccn1 ZINC001232479043 777575279 /nfs/dbraw/zinc/57/52/79/777575279.db2.gz MDGIWWSYEKWUTK-UHFFFAOYSA-N 0 1 281.359 2.636 20 30 CFEDMN N#C[C@@H]1CN(Cc2ccc3ccsc3c2)CCC1=O ZINC001232613580 777615841 /nfs/dbraw/zinc/61/58/41/777615841.db2.gz XNTPVKYDVOJXCK-CYBMUJFWSA-N 0 1 270.357 2.816 20 30 CFEDMN Cc1ccc(C[N@H+](C)Cc2cc(C#N)ccc2[O-])cn1 ZINC001232678371 777638643 /nfs/dbraw/zinc/63/86/43/777638643.db2.gz WVWYZAMWOASXQF-UHFFFAOYSA-N 0 1 267.332 2.599 20 30 CFEDMN CCC[N@@H+](Cc1cc(C#N)ccc1[O-])C1CCOCC1 ZINC001232678334 777639040 /nfs/dbraw/zinc/63/90/40/777639040.db2.gz VKUDHIBXSBFQFT-UHFFFAOYSA-N 0 1 274.364 2.655 20 30 CFEDMN C[N@@H+](Cc1cccc2c1OCO2)Cc1cc(C#N)ccc1[O-] ZINC001232681208 777640896 /nfs/dbraw/zinc/64/08/96/777640896.db2.gz MPXBMDUSOGXDDW-UHFFFAOYSA-N 0 1 296.326 2.625 20 30 CFEDMN N#C[C@H]1CN(Cc2cc3ccc(Cl)cc3[nH]2)CCC1=O ZINC001232732090 777649118 /nfs/dbraw/zinc/64/91/18/777649118.db2.gz NASWSGVTPBSUCV-NSHDSACASA-N 0 1 287.750 2.736 20 30 CFEDMN Cc1c(CN2CCC(S)CC2)ccnc1Cl ZINC001232752860 777658351 /nfs/dbraw/zinc/65/83/51/777658351.db2.gz CYVVRTSZHUGCPU-UHFFFAOYSA-N 0 1 256.802 2.938 20 30 CFEDMN C#CCN1CC[C@H](NC(=O)[C@@H]2CCCC3(CC3)C2)[C@H]1CC ZINC001087569061 777660517 /nfs/dbraw/zinc/66/05/17/777660517.db2.gz AGEQKIREZVCFDB-OWCLPIDISA-N 0 1 288.435 2.559 20 30 CFEDMN C[C@H]1CC[N@@H+](Cc2ccc(C#N)s2)CC[C@@]1(C)O ZINC001232842179 777683699 /nfs/dbraw/zinc/68/36/99/777683699.db2.gz NERWCBSQPHESKR-SMDDNHRTSA-N 0 1 264.394 2.603 20 30 CFEDMN CC#CCN1CC[C@H](NC(=O)C2(C)CCCCC2)[C@H]1CC ZINC001087711933 777685864 /nfs/dbraw/zinc/68/58/64/777685864.db2.gz GLOJBIMHJLBBAF-JKSUJKDBSA-N 0 1 290.451 2.949 20 30 CFEDMN N#CC[C@@H]1CCCN(Cc2ccc3ncoc3c2)C1 ZINC001232942715 777730401 /nfs/dbraw/zinc/73/04/01/777730401.db2.gz IKLIYHNFMGEAGD-LBPRGKRZSA-N 0 1 255.321 2.953 20 30 CFEDMN COC(=O)[C@@H]1C[C@H]2C[C@@H](C1)N(Cc1ccc(C)cc1C#N)C2 ZINC001232967631 777743201 /nfs/dbraw/zinc/74/32/01/777743201.db2.gz SYQPUOKJGIFGJO-LXZKKBNFSA-N 0 1 298.386 2.640 20 30 CFEDMN N#Cc1cc[nH]c1CN1CC[C@@H](Cc2ccccc2)C1 ZINC001233047104 777776205 /nfs/dbraw/zinc/77/62/05/777776205.db2.gz OWXRFBCTTDGHIV-HNNXBMFYSA-N 0 1 265.360 2.951 20 30 CFEDMN N#CC[C@@H]1CCCN(Cc2[nH]nc3cc(F)ccc32)C1 ZINC001233123344 777800993 /nfs/dbraw/zinc/80/09/93/777800993.db2.gz OILVBOQEVVDFHZ-NSHDSACASA-N 0 1 272.327 2.828 20 30 CFEDMN N#CC[C@@H]1CCCN(Cc2n[nH]c3cc(F)ccc32)C1 ZINC001233123344 777801000 /nfs/dbraw/zinc/80/10/00/777801000.db2.gz OILVBOQEVVDFHZ-NSHDSACASA-N 0 1 272.327 2.828 20 30 CFEDMN Cc1ncc(CN2CCC[C@H](Oc3ccc(C#N)cc3)C2)o1 ZINC001233368207 777914716 /nfs/dbraw/zinc/91/47/16/777914716.db2.gz CRAPNWCUPAYVAW-INIZCTEOSA-N 0 1 297.358 2.898 20 30 CFEDMN N#CC1(c2ccccc2)CCN(Cc2cccc(N)n2)CC1 ZINC001233369005 777915798 /nfs/dbraw/zinc/91/57/98/777915798.db2.gz SKFAQNZDKVVPSL-UHFFFAOYSA-N 0 1 292.386 2.721 20 30 CFEDMN N#Cc1ccc(C[N@H+]2CCC(=O)[C@@H]3CCCC[C@@H]32)c([O-])c1 ZINC001233383416 777927259 /nfs/dbraw/zinc/92/72/59/777927259.db2.gz HJKNPOJVLDXKIJ-CABCVRRESA-N 0 1 284.359 2.597 20 30 CFEDMN C=CCCC(=O)N(C)CCN(C)Cc1cc(F)ccc1C ZINC001271976938 778050654 /nfs/dbraw/zinc/05/06/54/778050654.db2.gz CRSRXOBDVHAOSS-UHFFFAOYSA-N 0 1 292.398 2.991 20 30 CFEDMN CC(C)C#CC(=O)N(C)C[C@@H]1CCN1[C@@H](C)c1ccccc1 ZINC001234130922 778171998 /nfs/dbraw/zinc/17/19/98/778171998.db2.gz ORANDADHJRYGKX-WMZOPIPTSA-N 0 1 298.430 2.940 20 30 CFEDMN C#CC[C@@H](C)Oc1[nH]c(=O)nc2ccc(Cl)cc21 ZINC001228911615 778208116 /nfs/dbraw/zinc/20/81/16/778208116.db2.gz FVCUTKCBJLUGEB-MRVPVSSYSA-N 0 1 262.696 2.779 20 30 CFEDMN C=C1O[C@H](CC)C(=O)C1Oc1noc2c1CCCC2 ZINC001234456491 778231282 /nfs/dbraw/zinc/23/12/82/778231282.db2.gz PFHMETCLCPDGMP-SNVBAGLBSA-N 0 1 263.293 2.542 20 30 CFEDMN C=CCC(CC=C)C(=O)N(C)C[C@H]1CCN1CC(=C)C ZINC001234509710 778239484 /nfs/dbraw/zinc/23/94/84/778239484.db2.gz OUPIQMZUYHIRCS-MRXNPFEDSA-N 0 1 276.424 2.864 20 30 CFEDMN C[C@@H](Oc1[nH]c(=O)nc2cccc(C#N)c21)C(F)(F)F ZINC001234511941 778240879 /nfs/dbraw/zinc/24/08/79/778240879.db2.gz YVZWCBVGRWLZMX-ZCFIWIBFSA-N 0 1 283.209 2.537 20 30 CFEDMN C=CC[C@@H](C)Oc1[nH]c(=O)nc2ccc(C#N)cc21 ZINC001234516167 778241014 /nfs/dbraw/zinc/24/10/14/778241014.db2.gz QLDOWPWODOWLKF-SECBINFHSA-N 0 1 255.277 2.550 20 30 CFEDMN C=C(C)CN1CC[C@H]1CN(C)C(=O)C(C)(C)C(=C)Cl ZINC001234555553 778252766 /nfs/dbraw/zinc/25/27/66/778252766.db2.gz WMZQOFDSEPGGPA-ZDUSSCGKSA-N 0 1 284.831 2.874 20 30 CFEDMN COc1ccc2ccc(O)c(CN3CC[C@H](C#N)C3)c2c1 ZINC001234562907 778254032 /nfs/dbraw/zinc/25/40/32/778254032.db2.gz XISWEEPHEGROPL-GFCCVEGCSA-N 0 1 282.343 2.899 20 30 CFEDMN C=C(C)CCC(=O)N(C)C[C@@H]1CCN1CCOCCCC ZINC001234583832 778257989 /nfs/dbraw/zinc/25/79/89/778257989.db2.gz PBHBXEUMLXNEHL-INIZCTEOSA-N 0 1 296.455 2.692 20 30 CFEDMN C=CCC[C@H](C)[N@H+]1CC[C@H]1CN(C)C(=O)c1ccns1 ZINC001234604379 778262839 /nfs/dbraw/zinc/26/28/39/778262839.db2.gz OYBRLLYXMAMWFD-STQMWFEESA-N 0 1 293.436 2.644 20 30 CFEDMN C=CCC[C@H](C)N1CC[C@H]1CN(C)C(=O)c1ccns1 ZINC001234604379 778262843 /nfs/dbraw/zinc/26/28/43/778262843.db2.gz OYBRLLYXMAMWFD-STQMWFEESA-N 0 1 293.436 2.644 20 30 CFEDMN C=CCN1CC[C@H]1CN(C)C(=O)Cc1c(C)cccc1C ZINC001234613350 778265041 /nfs/dbraw/zinc/26/50/41/778265041.db2.gz GRUDESXJRCQGFJ-INIZCTEOSA-N 0 1 286.419 2.565 20 30 CFEDMN [O-]N=Cc1ccccc1OC1CCN(c2cc[nH+]cc2)CC1 ZINC001234818790 778302069 /nfs/dbraw/zinc/30/20/69/778302069.db2.gz DWPYNOHURLDLRG-UHFFFAOYSA-N 0 1 297.358 2.938 20 30 CFEDMN C=C(C)CN1C[C@@H](NC(=O)CCCC(C)(C)C)[C@H](OC)C1 ZINC001212028282 778329284 /nfs/dbraw/zinc/32/92/84/778329284.db2.gz NANUDKBBSQBJIP-HUUCEWRRSA-N 0 1 296.455 2.594 20 30 CFEDMN CCOC(=O)c1cc(CN(C)Cc2cccc(C#N)c2)c[nH]1 ZINC001234949946 778338461 /nfs/dbraw/zinc/33/84/61/778338461.db2.gz LZKAVJIGFGJCJV-UHFFFAOYSA-N 0 1 297.358 2.695 20 30 CFEDMN C#CCN(C)CCN(C)C(=O)C[C@H]1C[C@@H](C)CC(C)(C)C1 ZINC001272138409 778361737 /nfs/dbraw/zinc/36/17/37/778361737.db2.gz VBLBVVKHOULRMN-HZPDHXFCSA-N 0 1 292.467 2.862 20 30 CFEDMN C=CCN1CC[C@H](NC(=O)c2cc(F)c(C)cc2F)[C@H]1C ZINC001088640299 778372445 /nfs/dbraw/zinc/37/24/45/778372445.db2.gz PBWNTBMSRWBXFM-ABAIWWIYSA-N 0 1 294.345 2.652 20 30 CFEDMN C#CCN1CC[C@H](NC(=O)c2ccccc2C(C)(C)C)[C@H]1C ZINC001088647321 778373917 /nfs/dbraw/zinc/37/39/17/778373917.db2.gz JXNKHOLQIVGMQW-PBHICJAKSA-N 0 1 298.430 2.810 20 30 CFEDMN C=C(C)CCN1CC(N(C)C(=O)[C@@H]2CCC[C@@H](F)C2)C1 ZINC001042709328 778395596 /nfs/dbraw/zinc/39/55/96/778395596.db2.gz RKGYJYGHCQOJLK-ZIAGYGMSSA-N 0 1 282.403 2.624 20 30 CFEDMN C=CC[N@@H+]1CCCN(C(=O)C(C)(CC)CC)CC1 ZINC000989699128 778423484 /nfs/dbraw/zinc/42/34/84/778423484.db2.gz JFPBLIWTKTXVRH-UHFFFAOYSA-N 0 1 252.402 2.533 20 30 CFEDMN C=CCN1CCCN(C(=O)C(C)(CC)CC)CC1 ZINC000989699128 778423487 /nfs/dbraw/zinc/42/34/87/778423487.db2.gz JFPBLIWTKTXVRH-UHFFFAOYSA-N 0 1 252.402 2.533 20 30 CFEDMN C#CCN1CC[C@H](NC(=O)C2CCCCCCC2)[C@H]1C ZINC001088733639 778461863 /nfs/dbraw/zinc/46/18/63/778461863.db2.gz WPQDBHULRDYCHF-ZBFHGGJFSA-N 0 1 276.424 2.559 20 30 CFEDMN C#CCCN1CC[C@@H]1CN(C)C(=O)C(C)(C)C1CCCC1 ZINC001235436873 778490248 /nfs/dbraw/zinc/49/02/48/778490248.db2.gz APFVNGQILZTGBE-MRXNPFEDSA-N 0 1 290.451 2.759 20 30 CFEDMN C=CCCC(=O)NCCCN(C)Cc1ccccc1F ZINC001235437307 778490453 /nfs/dbraw/zinc/49/04/53/778490453.db2.gz ZZXPGQNUDJQGFA-UHFFFAOYSA-N 0 1 278.371 2.730 20 30 CFEDMN CC(C)c1nc(CC[N@@H+](C)Cc2ccccc2CC#N)no1 ZINC001235511649 778509085 /nfs/dbraw/zinc/50/90/85/778509085.db2.gz KNAJUHLEPFFFLE-UHFFFAOYSA-N 0 1 298.390 2.934 20 30 CFEDMN COc1ccc(Cl)cc1NC(=O)C[C@@H](C)NCCC#N ZINC000346742984 778588036 /nfs/dbraw/zinc/58/80/36/778588036.db2.gz VIKYVNLFVCDPLK-SNVBAGLBSA-N 0 1 295.770 2.569 20 30 CFEDMN CN1CCN(c2ccc(-c3ccc(F)c(C#N)c3)nc2)CC1 ZINC001235899936 778599691 /nfs/dbraw/zinc/59/96/91/778599691.db2.gz PNRYUOPYNFSLCK-UHFFFAOYSA-N 0 1 296.349 2.511 20 30 CFEDMN C=CCN1CC[C@H](NC(=O)c2c(F)ccc(C)c2F)[C@H]1C ZINC001088836790 778609377 /nfs/dbraw/zinc/60/93/77/778609377.db2.gz XUGBKMHHTGBPEU-YPMHNXCESA-N 0 1 294.345 2.652 20 30 CFEDMN Cc1cc(OC(C)C)ncc1-c1cc2[nH]cnc2c(C#N)n1 ZINC001236569662 778879146 /nfs/dbraw/zinc/87/91/46/778879146.db2.gz GCBWWXTWWKKPBS-UHFFFAOYSA-N 0 1 293.330 2.987 20 30 CFEDMN C=CCN1CCN(Cc2cccc3occc32)CC1 ZINC001236742446 778925800 /nfs/dbraw/zinc/92/58/00/778925800.db2.gz DIZRQFSEKICLKS-UHFFFAOYSA-N 0 1 256.349 2.736 20 30 CFEDMN C=CCN1CC[C@H](NC(=O)c2ccc(C=C)cc2)[C@H]1C ZINC001088874892 778929161 /nfs/dbraw/zinc/92/91/61/778929161.db2.gz DAGJYDVOZMXZCB-CJNGLKHVSA-N 0 1 270.376 2.708 20 30 CFEDMN C#CCN1CC[C@H](NC(=O)c2ccc(CC(C)C)cc2)[C@H]1C ZINC001089028880 778977797 /nfs/dbraw/zinc/97/77/97/778977797.db2.gz UXFQECUQSNUNOV-QAPCUYQASA-N 0 1 298.430 2.711 20 30 CFEDMN C=CCN1CC[C@H](NC(=O)c2sccc2CC)[C@H]1C ZINC001089057135 778983739 /nfs/dbraw/zinc/98/37/39/778983739.db2.gz KAPTWYYRNHTWCE-YPMHNXCESA-N 0 1 278.421 2.689 20 30 CFEDMN CCOC(=O)[C@]1(C)CCCN(Cc2ccc(C#N)s2)C1 ZINC001232847148 778984303 /nfs/dbraw/zinc/98/43/03/778984303.db2.gz SDCNTFFIXRKNCX-OAHLLOKOSA-N 0 1 292.404 2.785 20 30 CFEDMN C=C(C)CN1CC[C@H](NC(=O)c2c(C)nsc2C)[C@H]1C ZINC001089065323 778984379 /nfs/dbraw/zinc/98/43/79/778984379.db2.gz ZYCSDAHPQMPWBD-YPMHNXCESA-N 0 1 293.436 2.529 20 30 CFEDMN COc1ccc(CN2CCC[C@H](C#N)CC2)c(OC)c1 ZINC001203481148 779013361 /nfs/dbraw/zinc/01/33/61/779013361.db2.gz UWNYGWLTAQXDOB-ZDUSSCGKSA-N 0 1 274.364 2.829 20 30 CFEDMN C=C(C)CCN1CC(NC(=O)C[C@@H]2CCCC2(F)F)C1 ZINC001030841358 779053352 /nfs/dbraw/zinc/05/33/52/779053352.db2.gz IDUKHTUOFATFCF-LBPRGKRZSA-N 0 1 286.366 2.579 20 30 CFEDMN C=C(C)CCN1CC(NC(=O)Cc2cc(C)cc(C)c2)C1 ZINC001030890568 779079422 /nfs/dbraw/zinc/07/94/22/779079422.db2.gz PYZDNFHOSIVEEX-UHFFFAOYSA-N 0 1 286.419 2.613 20 30 CFEDMN C#CCN1CCC(C)(NC(=O)[C@@H](CC)CC(C)C)CC1 ZINC001278088030 779082840 /nfs/dbraw/zinc/08/28/40/779082840.db2.gz MHMZOBMHJFOWIV-HNNXBMFYSA-N 0 1 278.440 2.663 20 30 CFEDMN C=C1CCC(C(=O)NC2CN(C[C@@H](C)CC)C2)CC1 ZINC001030899883 779086507 /nfs/dbraw/zinc/08/65/07/779086507.db2.gz JAKXXRFHVQTLBN-LBPRGKRZSA-N 0 1 264.413 2.579 20 30 CFEDMN Cn1cc(CN2CCSCC2)c2cc(C#N)ccc21 ZINC001237464288 779114204 /nfs/dbraw/zinc/11/42/04/779114204.db2.gz BSMVOIJFRIKCCE-UHFFFAOYSA-N 0 1 271.389 2.599 20 30 CFEDMN CCCCCCCN1CC2(C1)COCC(=O)N2CCCC ZINC001272477399 779121390 /nfs/dbraw/zinc/12/13/90/779121390.db2.gz ZAVWEJAIAFTDMZ-UHFFFAOYSA-N 0 1 296.455 2.670 20 30 CFEDMN Cn1cc(Cl)cc1C(=O)Nc1cc(C#N)ccc1O ZINC000176396552 779122272 /nfs/dbraw/zinc/12/22/72/779122272.db2.gz YXAXPXDFAPYEPK-UHFFFAOYSA-N 0 1 275.695 2.508 20 30 CFEDMN COc1c(C)cccc1CN1CCC2SC(=O)C=C2C1 ZINC001237504217 779122376 /nfs/dbraw/zinc/12/23/76/779122376.db2.gz VPXDYRCLOJCYFU-AWEZNQCLSA-N 0 1 289.400 2.778 20 30 CFEDMN C=C(Cl)CN1CC[C@H](NC(=O)C(F)F)CC(C)(C)C1 ZINC001089291070 779137258 /nfs/dbraw/zinc/13/72/58/779137258.db2.gz PEZQQHSCEVYKQI-JTQLQIEISA-N 0 1 294.773 2.611 20 30 CFEDMN C=C(Cl)CN1CC[C@@H](NC(=O)C(F)F)CC(C)(C)C1 ZINC001089291071 779137555 /nfs/dbraw/zinc/13/75/55/779137555.db2.gz PEZQQHSCEVYKQI-SNVBAGLBSA-N 0 1 294.773 2.611 20 30 CFEDMN CC[C@@H]1CCCN(Cc2cn3cc(C#N)ccc3n2)C1 ZINC001237607655 779142091 /nfs/dbraw/zinc/14/20/91/779142091.db2.gz YXVOUODDGJXJRB-CYBMUJFWSA-N 0 1 268.364 2.828 20 30 CFEDMN C[C@H]1CN(Cc2cn3cc(C#N)ccc3n2)C2(CC2)C1 ZINC001237616132 779143925 /nfs/dbraw/zinc/14/39/25/779143925.db2.gz CFXFANCONXAAJT-GFCCVEGCSA-N 0 1 266.348 2.580 20 30 CFEDMN C#C[C@H]1CCCN(Cc2ccnc(OC(F)F)c2)C1 ZINC001237622763 779146826 /nfs/dbraw/zinc/14/68/26/779146826.db2.gz TZMWGLQBRRFKFP-NSHDSACASA-N 0 1 266.291 2.528 20 30 CFEDMN C[C@@H]1CN(Cc2cc(Cl)cc(C#N)c2)CCC[C@@H]1O ZINC001237745675 779173716 /nfs/dbraw/zinc/17/37/16/779173716.db2.gz HQOKVVXYUMKFSL-ABAIWWIYSA-N 0 1 278.783 2.804 20 30 CFEDMN C=C1O[C@@H](C)C(=O)C1Oc1cnc(OC(C)C)c(C)c1 ZINC001234278469 779191938 /nfs/dbraw/zinc/19/19/38/779191938.db2.gz TYKLMPGLQRJEEL-JTQLQIEISA-N 0 1 277.320 2.775 20 30 CFEDMN CC(C)C1=NCCc2ccc(CN3CC(C#N)C3)cc21 ZINC001237880977 779198687 /nfs/dbraw/zinc/19/86/87/779198687.db2.gz LSXQHYPOECMCES-UHFFFAOYSA-N 0 1 267.376 2.643 20 30 CFEDMN C#C[C@@H]1CCCN(Cc2[nH]c(-c3ccc[nH]3)cc2OC)C1 ZINC001237882750 779200311 /nfs/dbraw/zinc/20/03/11/779200311.db2.gz PXIXLOXDYFHVNS-CYBMUJFWSA-N 0 1 283.375 2.864 20 30 CFEDMN C=CCN1C[C@@]2(CC1=O)CCCCN2Cc1ccc(C)o1 ZINC001272586663 779243743 /nfs/dbraw/zinc/24/37/43/779243743.db2.gz FWHHXXCYYJUUCQ-KRWDZBQOSA-N 0 1 288.391 2.731 20 30 CFEDMN C[C@H]1CN(Cc2ccc(C#N)cc2Cl)CC[C@]1(C)O ZINC001238082552 779249894 /nfs/dbraw/zinc/24/98/94/779249894.db2.gz JQOYDDFJLGLRMS-NHYWBVRUSA-N 0 1 278.783 2.804 20 30 CFEDMN N#CCN(Cc1ccccc1)Cc1cccc2cncn21 ZINC001238120465 779258209 /nfs/dbraw/zinc/25/82/09/779258209.db2.gz VZZGBIYNVAXUQB-UHFFFAOYSA-N 0 1 276.343 2.860 20 30 CFEDMN CCn1ccnc1C(C#N)C(=O)[C@]12C[C@H]1CCCC2 ZINC001123233973 779364212 /nfs/dbraw/zinc/36/42/12/779364212.db2.gz PVDWBTROOPALDE-LALPHHSUSA-N 0 1 257.337 2.660 20 30 CFEDMN C=C(C)CN1CC[C@](C)(NC(=O)c2ccc(C(F)F)o2)C1 ZINC001046805404 779382107 /nfs/dbraw/zinc/38/21/07/779382107.db2.gz JVXOAEWYSVCURB-HNNXBMFYSA-N 0 1 298.333 2.988 20 30 CFEDMN CCc1cc(CN2CCC(F)(F)[C@@H](CO)C2)ccc1C#N ZINC001238766474 779385192 /nfs/dbraw/zinc/38/51/92/779385192.db2.gz MDRPKDIWJSIWOM-OAHLLOKOSA-N 0 1 294.345 2.570 20 30 CFEDMN C#CCN(C)Cc1ccccc1CNC(=O)CC(C)(C)C ZINC001272663540 779439048 /nfs/dbraw/zinc/43/90/48/779439048.db2.gz QPDGPIYDEVSSTN-UHFFFAOYSA-N 0 1 286.419 2.804 20 30 CFEDMN CCCCCCC[C@H](C)NC(=O)N1CCN[C@@H](C)C1 ZINC001239271266 779496444 /nfs/dbraw/zinc/49/64/44/779496444.db2.gz VWBIQKCAZPATLO-KBPBESRZSA-N 0 1 269.433 2.739 20 30 CFEDMN C=C(Cl)CNCCNC(=O)C[C@@H]1C[C@H]1c1ccccc1 ZINC001127519722 779506995 /nfs/dbraw/zinc/50/69/95/779506995.db2.gz NAJVFCMXPSYEIM-GJZGRUSLSA-N 0 1 292.810 2.639 20 30 CFEDMN C=CC[N@H+]1CC(C)(C)CC[C@@H]1CNC(=O)c1ccoc1 ZINC001089610837 779544545 /nfs/dbraw/zinc/54/45/45/779544545.db2.gz XEOSIZPMIDCQRE-CQSZACIVSA-N 0 1 276.380 2.686 20 30 CFEDMN C=CCN1CC(C)(C)CC[C@@H]1CNC(=O)c1ccoc1 ZINC001089610837 779544553 /nfs/dbraw/zinc/54/45/53/779544553.db2.gz XEOSIZPMIDCQRE-CQSZACIVSA-N 0 1 276.380 2.686 20 30 CFEDMN CC#CCN1CC(C)(C)CC[C@H]1CNC(=O)C1CC=CC1 ZINC001089622931 779547334 /nfs/dbraw/zinc/54/73/34/779547334.db2.gz LIQLZRPCTMOUNS-INIZCTEOSA-N 0 1 288.435 2.583 20 30 CFEDMN CC#CCN1CC(C)(C)CC[C@@H]1CNC(=O)[C@@H]1CC1(C)C ZINC001089630331 779548257 /nfs/dbraw/zinc/54/82/57/779548257.db2.gz FSWOGTVFMVGTMY-CABCVRRESA-N 0 1 290.451 2.663 20 30 CFEDMN C=CCN1CC(CNC(=O)c2cc(F)c3ccccc3c2)C1 ZINC001031717365 779549861 /nfs/dbraw/zinc/54/98/61/779549861.db2.gz OGMMUGDHLCVLEV-UHFFFAOYSA-N 0 1 298.361 2.827 20 30 CFEDMN C#CCN1CC(C)(C)CC[C@H]1CNC(=O)C1CC(C)(C)C1 ZINC001089636364 779552032 /nfs/dbraw/zinc/55/20/32/779552032.db2.gz BBCPFALGMUQJHO-HNNXBMFYSA-N 0 1 290.451 2.663 20 30 CFEDMN CCCCCCCC(=O)C(C#N)C(=O)NC(C)C ZINC000130798524 779563631 /nfs/dbraw/zinc/56/36/31/779563631.db2.gz FKCLFDYPLRQPHJ-LBPRGKRZSA-N 0 1 252.358 2.580 20 30 CFEDMN CC#CCN1CC(C)(C)CC[C@@H]1CNC(=O)[C@@H]1C[C@H]1CC ZINC001089695273 779570666 /nfs/dbraw/zinc/57/06/66/779570666.db2.gz HFQIGCLMLIBCKW-BZUAXINKSA-N 0 1 290.451 2.663 20 30 CFEDMN C=CCN1CC(CNC(=O)c2ccccc2C(C)(C)C)C1 ZINC001031755193 779590193 /nfs/dbraw/zinc/59/01/93/779590193.db2.gz AXYBGXFSFXFHOM-UHFFFAOYSA-N 0 1 286.419 2.832 20 30 CFEDMN N#Cc1nc(-c2cc(F)cc(F)c2)cc2[nH]cnc21 ZINC001239653654 779689569 /nfs/dbraw/zinc/68/95/69/779689569.db2.gz POLCIELKENWOKW-UHFFFAOYSA-N 0 1 256.215 2.775 20 30 CFEDMN C=C(C)CN1CC(CNC(=O)c2cc[nH]c2C2CCC2)C1 ZINC001031974749 779693420 /nfs/dbraw/zinc/69/34/20/779693420.db2.gz GMHSBDICEPNJKF-UHFFFAOYSA-N 0 1 287.407 2.520 20 30 CFEDMN C=C(C)CN1CC(CNC(=O)c2ccc(C)c(F)c2F)C1 ZINC001031995535 779699546 /nfs/dbraw/zinc/69/95/46/779699546.db2.gz SHULAIXRGODGNE-UHFFFAOYSA-N 0 1 294.345 2.511 20 30 CFEDMN C=C(C)CN1CC(CNC(=O)c2ccsc2Cl)C1 ZINC001032028817 779715536 /nfs/dbraw/zinc/71/55/36/779715536.db2.gz CQYRFTMMUNWFQN-UHFFFAOYSA-N 0 1 284.812 2.639 20 30 CFEDMN C=C(C)CN1CC(CNC(=O)[C@@H]2C[C@H]2c2cccc(C)c2)C1 ZINC001032045385 779720887 /nfs/dbraw/zinc/72/08/87/779720887.db2.gz YDFNCXBHXTVIJI-ZWKOTPCHSA-N 0 1 298.430 2.723 20 30 CFEDMN C=CCN1CC(CNC(=O)c2c(Cl)cccc2Cl)C1 ZINC001032148947 779747085 /nfs/dbraw/zinc/74/70/85/779747085.db2.gz KOYAYKXLPPWNMG-UHFFFAOYSA-N 0 1 299.201 2.841 20 30 CFEDMN C=CCN1CC(CNC(=O)c2cc(CCC)c(C)s2)C1 ZINC001032174699 779750449 /nfs/dbraw/zinc/75/04/49/779750449.db2.gz HMEADWCYIZUPPC-UHFFFAOYSA-N 0 1 292.448 2.857 20 30 CFEDMN C=C(C)CN1CC(CNC(=O)c2ccc(C)c3c2CCC3)C1 ZINC001032213576 779767957 /nfs/dbraw/zinc/76/79/57/779767957.db2.gz UHUHDSVHFVCBND-UHFFFAOYSA-N 0 1 298.430 2.721 20 30 CFEDMN C=C(C)CN1C[C@@H]2C[C@H]1CN2C(=O)CCC1CCCC1 ZINC001032259980 779797379 /nfs/dbraw/zinc/79/73/79/779797379.db2.gz ZJVCFWNRRZNLLF-HOTGVXAUSA-N 0 1 276.424 2.818 20 30 CFEDMN C=CCCCN1CCO[C@](C)(CNC(=O)/C(C)=C/CC)C1 ZINC001107784693 779898202 /nfs/dbraw/zinc/89/82/02/779898202.db2.gz YLTRJAOYZDJJSJ-NQUDRAQSSA-N 0 1 294.439 2.516 20 30 CFEDMN C=C(C)CC[N@H+]1CCO[C@@](C)(CNC(=O)[C@H](C)CCC)C1 ZINC001107823499 779904825 /nfs/dbraw/zinc/90/48/25/779904825.db2.gz ONRWOABUHBROEW-WBVHZDCISA-N 0 1 296.455 2.596 20 30 CFEDMN C=C(C)CCN1CCO[C@@](C)(CNC(=O)[C@H](C)CCC)C1 ZINC001107823499 779904831 /nfs/dbraw/zinc/90/48/31/779904831.db2.gz ONRWOABUHBROEW-WBVHZDCISA-N 0 1 296.455 2.596 20 30 CFEDMN C[C@@H]1CCC[C@@H]1CC(=O)NCCNCC#Cc1ccccc1 ZINC001127929880 779943883 /nfs/dbraw/zinc/94/38/83/779943883.db2.gz XKVAKICTYSFOKO-SJLPKXTDSA-N 0 1 298.430 2.570 20 30 CFEDMN CCCn1cc(-c2nccc3[nH]cc(C#N)c32)cn1 ZINC001240129517 779954867 /nfs/dbraw/zinc/95/48/67/779954867.db2.gz ZZQJWPQDFBYEBS-UHFFFAOYSA-N 0 1 251.293 2.708 20 30 CFEDMN C=C(C)CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1ncc(C)cc1C ZINC001032534223 780017186 /nfs/dbraw/zinc/01/71/86/780017186.db2.gz WGQZBZCIIKJQRM-HOTGVXAUSA-N 0 1 299.418 2.563 20 30 CFEDMN C=CCCN1C[C@@H]2C[C@H]1CN2C(=O)C(C)(C)C1CCC1 ZINC001032543821 780022568 /nfs/dbraw/zinc/02/25/68/780022568.db2.gz PYSMFHHQSMBEDL-GJZGRUSLSA-N 0 1 276.424 2.674 20 30 CFEDMN C=CC(C)(C)C(=O)N1C[C@@H]2C[C@H]1CN2Cc1ccccc1C ZINC001032562883 780036982 /nfs/dbraw/zinc/03/69/82/780036982.db2.gz HRPIOLKFLHJQFQ-IRXDYDNUSA-N 0 1 298.430 2.992 20 30 CFEDMN C#CCC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1cccc(C(C)C)c1 ZINC001032714621 780137509 /nfs/dbraw/zinc/13/75/09/780137509.db2.gz OQNQWLHFIVMERU-ROUUACIJSA-N 0 1 296.414 2.732 20 30 CFEDMN C#CCCN1C[C@@H]2C[C@H]1CN2C(=O)c1cccc(C(C)C)c1 ZINC001032714621 780137515 /nfs/dbraw/zinc/13/75/15/780137515.db2.gz OQNQWLHFIVMERU-ROUUACIJSA-N 0 1 296.414 2.732 20 30 CFEDMN N#Cc1ccc(Br)c(CN[C@@H]2CCCOC2)c1 ZINC000921705445 780189352 /nfs/dbraw/zinc/18/93/52/780189352.db2.gz NCNIGQLKZRJKSZ-GFCCVEGCSA-N 0 1 295.180 2.589 20 30 CFEDMN C=C(C)CN1CC[C@]2(CCCN2Cc2cccs2)C1=O ZINC001272931556 780298151 /nfs/dbraw/zinc/29/81/51/780298151.db2.gz CZIUERVSBYDNEU-MRXNPFEDSA-N 0 1 290.432 2.891 20 30 CFEDMN N#CC1(CN[C@H]2CCc3ccccc3OC2)CCC1 ZINC000450935500 780344721 /nfs/dbraw/zinc/34/47/21/780344721.db2.gz GTMNOLJUJIGNPS-AWEZNQCLSA-N 0 1 256.349 2.664 20 30 CFEDMN C=CCN1CC[C@@H](NC(=O)C2[C@@H]3CCCCCC[C@@H]23)C1 ZINC001032841680 780452845 /nfs/dbraw/zinc/45/28/45/780452845.db2.gz UBSHMNWKDYGXTO-RBSFLKMASA-N 0 1 276.424 2.579 20 30 CFEDMN C=CCN1CC[C@H](N(C)C(=O)[C@H]2CCCC3(CC3)C2)C1 ZINC001033075312 780554486 /nfs/dbraw/zinc/55/44/86/780554486.db2.gz FSUZDSVPZSPSNC-GJZGRUSLSA-N 0 1 276.424 2.676 20 30 CFEDMN C=CCN1CC[C@H](N(C)C(=O)[C@@H]2CCC(C)=C(C)C2)C1 ZINC001033104912 780564079 /nfs/dbraw/zinc/56/40/79/780564079.db2.gz BWFBGHHEWZHUDT-CVEARBPZSA-N 0 1 276.424 2.842 20 30 CFEDMN N#Cc1nc(-c2ccc(F)c(F)c2F)cc2[nH]cnc21 ZINC001240988157 780575043 /nfs/dbraw/zinc/57/50/43/780575043.db2.gz SWDKYXBVJLYALA-UHFFFAOYSA-N 0 1 274.205 2.914 20 30 CFEDMN C=CCN1CC[C@@H](N(C)C(=O)c2cc(F)c(C)cc2F)C1 ZINC001033170475 780590237 /nfs/dbraw/zinc/59/02/37/780590237.db2.gz SOLAOKHWDXZQRE-GFCCVEGCSA-N 0 1 294.345 2.606 20 30 CFEDMN C=C(C)CN1CC[C@@H](N(C)C(=O)c2ccc(CC)o2)C1 ZINC001033200133 780614548 /nfs/dbraw/zinc/61/45/48/780614548.db2.gz IICGSPNHEJTQMZ-CYBMUJFWSA-N 0 1 276.380 2.564 20 30 CFEDMN C=C(C)CN1CC[C@@H](N(C)C(=O)c2cc3ncccc3o2)C1 ZINC001033271097 780636949 /nfs/dbraw/zinc/63/69/49/780636949.db2.gz CZPJKFMSBGCFHC-CYBMUJFWSA-N 0 1 299.374 2.550 20 30 CFEDMN C=CCN1CC[C@H](N(C)C(=O)[C@H]2CC[C@@H]3C[C@@H]3CC2)C1 ZINC001033293567 780643129 /nfs/dbraw/zinc/64/31/29/780643129.db2.gz YOHOQBFCMMEXFV-FZKCQIBNSA-N 0 1 276.424 2.531 20 30 CFEDMN C=CCN1CC[C@H](N(C)C(=O)C(C)(C)C2CCC2)C1 ZINC001033308182 780647837 /nfs/dbraw/zinc/64/78/37/780647837.db2.gz DTXMFCYERDYMPG-AWEZNQCLSA-N 0 1 264.413 2.531 20 30 CFEDMN C=C(C)C[N@@H+]1CC[C@@H](N(C)C(=O)C[C@@H]2CC=CCC2)C1 ZINC001033329517 780653392 /nfs/dbraw/zinc/65/33/92/780653392.db2.gz QOQDQTKDNJWONY-HZPDHXFCSA-N 0 1 276.424 2.842 20 30 CFEDMN C=C(C)C[N@@H+]1CC[C@H](N(C)C(=O)C[C@H]2CC=CCC2)C1 ZINC001033329515 780654035 /nfs/dbraw/zinc/65/40/35/780654035.db2.gz QOQDQTKDNJWONY-HOTGVXAUSA-N 0 1 276.424 2.842 20 30 CFEDMN C=CCN1CC[C@H](N(C)C(=O)[C@H]2CCCC2(C)C)C1 ZINC001033338587 780660608 /nfs/dbraw/zinc/66/06/08/780660608.db2.gz FZYPTSHZIHNEGY-UONOGXRCSA-N 0 1 264.413 2.531 20 30 CFEDMN C=CCN1CC[C@H](N(C)C(=O)c2nccc3ccccc32)C1 ZINC001033368281 780667266 /nfs/dbraw/zinc/66/72/66/780667266.db2.gz JJZQZPFFDKKVNP-HNNXBMFYSA-N 0 1 295.386 2.567 20 30 CFEDMN C=CCN1CC[C@H](N(C)C(=O)C2(C)CCCCC2)C1 ZINC001033385321 780672095 /nfs/dbraw/zinc/67/20/95/780672095.db2.gz RKPSLAZDUKPVBE-AWEZNQCLSA-N 0 1 264.413 2.676 20 30 CFEDMN C=CCN1CC[C@H](N(C)C(=O)[C@H](C)c2cccs2)C1 ZINC001033415599 780677096 /nfs/dbraw/zinc/67/70/96/780677096.db2.gz GDMLODCXUUROJY-OLZOCXBDSA-N 0 1 278.421 2.570 20 30 CFEDMN C=CCN1CC[C@H](N(C)C(=O)c2cccc(F)c2Cl)C1 ZINC001033452044 780685439 /nfs/dbraw/zinc/68/54/39/780685439.db2.gz ZTYVQPSIXGBULV-NSHDSACASA-N 0 1 296.773 2.811 20 30 CFEDMN C=CCN1CC[C@H](N(C)C(=O)c2ccc(Cl)c(F)c2)C1 ZINC001033449632 780685636 /nfs/dbraw/zinc/68/56/36/780685636.db2.gz NWBUBWZPFDIHJR-LBPRGKRZSA-N 0 1 296.773 2.811 20 30 CFEDMN C=C(C)CN1CC[C@H](N(C)C(=O)c2cc(C(C)C)no2)C1 ZINC001033476262 780689863 /nfs/dbraw/zinc/68/98/63/780689863.db2.gz XVLXSHHLOCMQSD-ZDUSSCGKSA-N 0 1 291.395 2.520 20 30 CFEDMN C=CC[N@@H+]1CC[C@H](N(C)C(=O)[C@@]2(C)C[C@@H]2c2ccccc2)C1 ZINC001033489510 780695252 /nfs/dbraw/zinc/69/52/52/780695252.db2.gz HSACJLFTHMOSOM-SCTDSRPQSA-N 0 1 298.430 2.899 20 30 CFEDMN C=CCN1CC[C@H](N(C)C(=O)[C@@]2(C)C[C@@H]2c2ccccc2)C1 ZINC001033489510 780695260 /nfs/dbraw/zinc/69/52/60/780695260.db2.gz HSACJLFTHMOSOM-SCTDSRPQSA-N 0 1 298.430 2.899 20 30 CFEDMN COc1cc2[nH]cnc2cc1-c1ccnc(C#N)c1 ZINC001241193722 780696332 /nfs/dbraw/zinc/69/63/32/780696332.db2.gz VHZLGYDCLMTLQR-UHFFFAOYSA-N 0 1 250.261 2.505 20 30 CFEDMN C=CCN1CC[C@H](N(C)C(=O)[C@@H]2C[C@H]2c2ccccc2C)C1 ZINC001033498617 780697694 /nfs/dbraw/zinc/69/76/94/780697694.db2.gz BVUKAQHEQVMJDA-RYQLBKOJSA-N 0 1 298.430 2.817 20 30 CFEDMN C=CCN1CC[C@H](N(C)C(=O)[C@H](C)c2ccccc2F)C1 ZINC001033512967 780699177 /nfs/dbraw/zinc/69/91/77/780699177.db2.gz NNBSWRBVNVLCSX-KGLIPLIRSA-N 0 1 290.382 2.648 20 30 CFEDMN C=CC[N@@H+]1CC[C@@H](N(C)C(=O)c2ccc3cccnc3c2)C1 ZINC001033510419 780701342 /nfs/dbraw/zinc/70/13/42/780701342.db2.gz ZNVDMEGMMCUVNY-MRXNPFEDSA-N 0 1 295.386 2.567 20 30 CFEDMN C=CCN1CC[C@@H](N(C)C(=O)c2ccc3cccnc3c2)C1 ZINC001033510419 780701345 /nfs/dbraw/zinc/70/13/45/780701345.db2.gz ZNVDMEGMMCUVNY-MRXNPFEDSA-N 0 1 295.386 2.567 20 30 CFEDMN C#CCCCCNC(=O)c1ccc(CN(CC)CC)o1 ZINC000700592095 780702664 /nfs/dbraw/zinc/70/26/64/780702664.db2.gz FWXJMZBNDMUXHU-UHFFFAOYSA-N 0 1 276.380 2.655 20 30 CFEDMN C#C[C@H](NC(=O)c1ccc(CN(CC)CC)o1)C(C)C ZINC000700591931 780703112 /nfs/dbraw/zinc/70/31/12/780703112.db2.gz CIRCMFTXIUHESA-AWEZNQCLSA-N 0 1 276.380 2.509 20 30 CFEDMN C=CCN1CC[C@H](N(C)C(=O)Cc2coc3ccccc23)C1 ZINC001033529345 780704979 /nfs/dbraw/zinc/70/49/79/780704979.db2.gz KZYLMLMCGVCHEZ-HNNXBMFYSA-N 0 1 298.386 2.694 20 30 CFEDMN C=CCN1CC[C@H](N(C)C(=O)[C@H](C)c2cccc(F)c2)C1 ZINC001033679191 780747230 /nfs/dbraw/zinc/74/72/30/780747230.db2.gz JWLBOEBUGBSBTE-CJNGLKHVSA-N 0 1 290.382 2.648 20 30 CFEDMN CC#CCN1CC[C@@H](N(C)C(=O)C23CCC(CC2)CC3)C1 ZINC001033675944 780747579 /nfs/dbraw/zinc/74/75/79/780747579.db2.gz OFIBGEHGIOLTGL-UPTPFMHGSA-N 0 1 288.435 2.513 20 30 CFEDMN CC#CCN1CC[C@H](N(C)C(=O)[C@@H](C)c2ccccc2C)C1 ZINC001033677918 780747626 /nfs/dbraw/zinc/74/76/26/780747626.db2.gz FFMCXNMZYAXPNV-IRXDYDNUSA-N 0 1 298.430 2.655 20 30 CFEDMN C=CCN1CC[C@H](N(C)C(=O)C23CC(C(C)(C)C)(C2)C3)C1 ZINC001033697260 780752162 /nfs/dbraw/zinc/75/21/62/780752162.db2.gz BQVADQHVXFURIX-NNGSBXSVSA-N 0 1 290.451 2.922 20 30 CFEDMN C=CCN1CC[C@H](N(CC)C(=O)c2ccccc2C)C1 ZINC001033739715 780770215 /nfs/dbraw/zinc/77/02/15/780770215.db2.gz HSXWTBVQGPNAER-HNNXBMFYSA-N 0 1 272.392 2.717 20 30 CFEDMN CC#CCN1CC[C@H](N(CC)C(=O)c2cscc2C)C1 ZINC001033789812 780787630 /nfs/dbraw/zinc/78/76/30/780787630.db2.gz QNPIUMQZMZBCPC-AWEZNQCLSA-N 0 1 290.432 2.616 20 30 CFEDMN C=CCN1CC[C@H](N(CC)C(=O)C2C(C)(C)C2(C)C)C1 ZINC001033793133 780790902 /nfs/dbraw/zinc/79/09/02/780790902.db2.gz YMEPGFDEOHUJPJ-ZDUSSCGKSA-N 0 1 278.440 2.777 20 30 CFEDMN CC#CCN1CC[C@H](N(CC)C(=O)c2ccccc2CC)C1 ZINC001033933200 780831151 /nfs/dbraw/zinc/83/11/51/780831151.db2.gz CCEJISYMVXNWTR-KRWDZBQOSA-N 0 1 298.430 2.809 20 30 CFEDMN C=Cc1ccc(C(=O)N(CC)[C@@H]2CC[N@@H+](CC#CC)C2)cc1 ZINC001033969275 780843685 /nfs/dbraw/zinc/84/36/85/780843685.db2.gz SHNFTPAQDHAMSD-GOSISDBHSA-N 0 1 296.414 2.889 20 30 CFEDMN C=Cc1ccc(C(=O)N(CC)[C@@H]2CCN(CC#CC)C2)cc1 ZINC001033969275 780843687 /nfs/dbraw/zinc/84/36/87/780843687.db2.gz SHNFTPAQDHAMSD-GOSISDBHSA-N 0 1 296.414 2.889 20 30 CFEDMN C=CCN1CC[C@@H](N(CC)C(=O)c2ccc3c(c2)CCC3)C1 ZINC001034039038 780861948 /nfs/dbraw/zinc/86/19/48/780861948.db2.gz IVFCNJRGHSMEMU-GOSISDBHSA-N 0 1 298.430 2.898 20 30 CFEDMN C=CCN1CC[C@H](N(CC)C(=O)c2ccc(C)cc2)C1 ZINC001034023882 780862137 /nfs/dbraw/zinc/86/21/37/780862137.db2.gz WYNRDUSOMNMEHG-INIZCTEOSA-N 0 1 272.392 2.717 20 30 CFEDMN C#CCN1CCCC[C@H](NC(=O)CC2CCCCC2)C1 ZINC001034091124 780885211 /nfs/dbraw/zinc/88/52/11/780885211.db2.gz MHECXYDOXQZDCF-INIZCTEOSA-N 0 1 276.424 2.561 20 30 CFEDMN CC#CCN1CCCC[C@@H](NC(=O)C(F)=C2CCCC2)C1 ZINC001034163075 780914477 /nfs/dbraw/zinc/91/44/77/780914477.db2.gz XMFGLVDQCHJTHV-OAHLLOKOSA-N 0 1 292.398 2.778 20 30 CFEDMN C#CCN1CCCC[C@H](NC(=O)c2ccc(CCC)cc2)C1 ZINC001034373405 780956851 /nfs/dbraw/zinc/95/68/51/780956851.db2.gz RTWMCZFBLWJEHB-SFHVURJKSA-N 0 1 298.430 2.857 20 30 CFEDMN CC#CCN1CCCC[C@@H](NC(=O)[C@@H]2CC23CCCC3)C1 ZINC001034477824 780981027 /nfs/dbraw/zinc/98/10/27/780981027.db2.gz QPKRJSFWJHQMSR-CVEARBPZSA-N 0 1 288.435 2.561 20 30 CFEDMN C=CCN1CCCC[C@@H](NC(=O)c2cnoc2C(C)C)C1 ZINC001034470186 780982073 /nfs/dbraw/zinc/98/20/73/780982073.db2.gz PTZDTTKEZAQDQW-CYBMUJFWSA-N 0 1 291.395 2.568 20 30 CFEDMN C=CCN1CCCC[C@@H](NC(=O)c2cc(C)c(CC)o2)C1 ZINC001034493947 780982296 /nfs/dbraw/zinc/98/22/96/780982296.db2.gz WWSBKKZOGPTNTJ-CQSZACIVSA-N 0 1 290.407 2.921 20 30 CFEDMN C=CCc1ccnc(C2=CCCN(C)C2)c1C(OC)OC ZINC001241567328 780982591 /nfs/dbraw/zinc/98/25/91/780982591.db2.gz WINOEZWAEBQQQW-UHFFFAOYSA-N 0 1 288.391 2.820 20 30 CFEDMN C=C(Cl)CN[C@@H]1CCN(C)[C@@H]1c1ccc(F)cc1 ZINC001117935808 781021232 /nfs/dbraw/zinc/02/12/32/781021232.db2.gz CWWSRTNRHZRVSC-ZIAGYGMSSA-N 0 1 268.763 2.913 20 30 CFEDMN CC(C)CC(=O)N1CCC[C@@H]1CNCc1ccccc1C#N ZINC001034844046 781084688 /nfs/dbraw/zinc/08/46/88/781084688.db2.gz PDWVWWTVVCEXRX-QGZVFWFLSA-N 0 1 299.418 2.685 20 30 CFEDMN C=CCN1CC2(C1)CCN(C(=O)c1ccc(Cl)o1)CC2 ZINC001035650447 781151201 /nfs/dbraw/zinc/15/12/01/781151201.db2.gz NIEPCVJTZQACIN-UHFFFAOYSA-N 0 1 294.782 2.657 20 30 CFEDMN C=CCN1CC2(C1)CCN(C(=O)C[C@@H]1CCC[C@H]1C)CC2 ZINC001035714175 781160811 /nfs/dbraw/zinc/16/08/11/781160811.db2.gz FHJHOJDJSHTBBG-CVEARBPZSA-N 0 1 290.451 2.923 20 30 CFEDMN C=CCN1CC2(C1)CCN(C(=O)[C@@H]1CCC[C@H]3C[C@H]31)CC2 ZINC001035738242 781163258 /nfs/dbraw/zinc/16/32/58/781163258.db2.gz YJEWCHHZFCXRTC-ARFHVFGLSA-N 0 1 288.435 2.533 20 30 CFEDMN CCC(O)(CC)CN(C)Cc1ccc(F)cc1C#N ZINC000706404746 781175426 /nfs/dbraw/zinc/17/54/26/781175426.db2.gz QPMSEKHHNZORFA-UHFFFAOYSA-N 0 1 264.344 2.680 20 30 CFEDMN C#CCN1CC2(C1)CCN(C(=O)C1(CC)CCCC1)CC2 ZINC001035830290 781175570 /nfs/dbraw/zinc/17/55/70/781175570.db2.gz OEPTUDQSUWUQJQ-UHFFFAOYSA-N 0 1 288.435 2.514 20 30 CFEDMN C#CCN(C(=O)c1cc(-c2ccccc2)[nH]n1)C(C)C ZINC000708463449 781276574 /nfs/dbraw/zinc/27/65/74/781276574.db2.gz NIGWYKYTDPBUAV-UHFFFAOYSA-N 0 1 267.332 2.561 20 30 CFEDMN C=C(Cl)CN1CC[C@@H]2CN(C(=O)/C=C\C3CC3)CC[C@H]21 ZINC001036676202 781399827 /nfs/dbraw/zinc/39/98/27/781399827.db2.gz ISFHHUBEVXIXHT-ZYDHHDLOSA-N 0 1 294.826 2.628 20 30 CFEDMN C[C@H](CO)[C@@H]1CCCCN1Cc1ccc(F)cc1C#N ZINC000711304997 781407690 /nfs/dbraw/zinc/40/76/90/781407690.db2.gz WXFPNUOUHXXFPV-WBMJQRKESA-N 0 1 276.355 2.680 20 30 CFEDMN C=C(Cl)CN1CC[C@H]2CN(C(=O)C3=CCCC3)CC[C@H]21 ZINC001036684658 781415671 /nfs/dbraw/zinc/41/56/71/781415671.db2.gz LKSGWRLCVBLBJW-LSDHHAIUSA-N 0 1 294.826 2.772 20 30 CFEDMN Cc1cc(C#N)ccc1-c1ccc(N2CCN(C)CC2)nc1 ZINC001242472675 781528390 /nfs/dbraw/zinc/52/83/90/781528390.db2.gz GXQNSQQNTDYMHD-UHFFFAOYSA-N 0 1 292.386 2.681 20 30 CFEDMN C=C(C)CN1C[C@@H](C)[C@H](NC(=O)c2sccc2C)C1 ZINC001079359035 781590554 /nfs/dbraw/zinc/59/05/54/781590554.db2.gz HBJWSOBNSVMCJJ-CHWSQXEVSA-N 0 1 278.421 2.683 20 30 CFEDMN COC(=O)c1nc2ccc(-c3ccc(O)c(C#N)c3)cc2[nH]1 ZINC001242564585 781603390 /nfs/dbraw/zinc/60/33/90/781603390.db2.gz IDQDLNKVHGYRSN-UHFFFAOYSA-N 0 1 293.282 2.594 20 30 CFEDMN CC#CC[N@H+]1C[C@@H](C)[C@H](NC(=O)[C@@H]2CCC=CCCC2)C1 ZINC001079947533 781627894 /nfs/dbraw/zinc/62/78/94/781627894.db2.gz DTMHGSWNDKJCLJ-BRWVUGGUSA-N 0 1 288.435 2.583 20 30 CFEDMN CC#CCN1C[C@@H](C)[C@H](NC(=O)[C@@H]2CCC=CCCC2)C1 ZINC001079947533 781627902 /nfs/dbraw/zinc/62/79/02/781627902.db2.gz DTMHGSWNDKJCLJ-BRWVUGGUSA-N 0 1 288.435 2.583 20 30 CFEDMN C=CCN1C[C@@H](C)[C@H](NC(=O)C2(C)CCCCC2)C1 ZINC001080382433 781653274 /nfs/dbraw/zinc/65/32/74/781653274.db2.gz LHJZACIMRNQCSK-ZIAGYGMSSA-N 0 1 264.413 2.579 20 30 CFEDMN C=CCN1C[C@@H](C)[C@H](NC(=O)c2cc(CC)c(C)s2)C1 ZINC001080909665 781684302 /nfs/dbraw/zinc/68/43/02/781684302.db2.gz RTXXDGSSKABOAG-BXUZGUMPSA-N 0 1 292.448 2.855 20 30 CFEDMN C[C@H]1CC(=O)C=C(c2nc(C(C)(C)C)nc3nc[nH]c32)C1 ZINC001242735670 781729541 /nfs/dbraw/zinc/72/95/41/781729541.db2.gz ADBPJMUCINFYPG-SECBINFHSA-N 0 1 284.363 2.984 20 30 CFEDMN Cc1cc(-c2ccc(N3CCN(C)CC3)cn2)ccc1C#N ZINC001242771308 781753405 /nfs/dbraw/zinc/75/34/05/781753405.db2.gz UANQQNCYRXESAD-UHFFFAOYSA-N 0 1 292.386 2.681 20 30 CFEDMN N#Cc1c[nH]c2ncnc(-c3cccc(O)c3Cl)c12 ZINC001242798654 781764772 /nfs/dbraw/zinc/76/47/72/781764772.db2.gz OAYLBWPJIZPLKU-UHFFFAOYSA-N 0 1 270.679 2.856 20 30 CFEDMN C=CCN1CC[C@@H]2CN(C(=O)CCC3CCCC3)[C@@H]2C1 ZINC001084164752 781776141 /nfs/dbraw/zinc/77/61/41/781776141.db2.gz WNERPMXFUJAYQO-HZPDHXFCSA-N 0 1 276.424 2.676 20 30 CFEDMN C=C(C)CN1CC[C@@H]2CN(C(=O)[C@]34C[C@H]3CCCC4)[C@@H]2C1 ZINC001084644412 781814565 /nfs/dbraw/zinc/81/45/65/781814565.db2.gz SORINKFDJOUIME-YFHUEUNASA-N 0 1 288.435 2.676 20 30 CFEDMN C=C(C)CN1CC[C@@H]2CN(C(=O)c3ccc(C)cc3)[C@@H]2C1 ZINC001084793157 781836609 /nfs/dbraw/zinc/83/66/09/781836609.db2.gz MORIFDAQXYCVCU-IAGOWNOFSA-N 0 1 284.403 2.717 20 30 CFEDMN C=CC[N@@H+]1CC[C@@H]2CN(C(=O)c3cc(C)cc(C)c3)[C@@H]2C1 ZINC001084796721 781838607 /nfs/dbraw/zinc/83/86/07/781838607.db2.gz OZGPYJHJBHBACC-NVXWUHKLSA-N 0 1 284.403 2.636 20 30 CFEDMN C=CCN1CC[C@@H]2CN(C(=O)c3cc(C)cc(C)c3)[C@@H]2C1 ZINC001084796721 781838616 /nfs/dbraw/zinc/83/86/16/781838616.db2.gz OZGPYJHJBHBACC-NVXWUHKLSA-N 0 1 284.403 2.636 20 30 CFEDMN N#CC[C@H](Oc1nc[nH]c(=O)c1Cl)c1ccccc1 ZINC001230015699 781840438 /nfs/dbraw/zinc/84/04/38/781840438.db2.gz AHUBYKBCJCZOFY-JTQLQIEISA-N 0 1 275.695 2.869 20 30 CFEDMN C=CCCN1CC[C@@H]2CN(C(=O)c3ccc(F)s3)[C@@H]2C1 ZINC001084864660 781848586 /nfs/dbraw/zinc/84/85/86/781848586.db2.gz INSGLANZVFVBAX-VXGBXAGGSA-N 0 1 294.395 2.610 20 30 CFEDMN C=C[C@H](CC(=O)NC(C)(C)c1c[nH]nn1)c1ccccc1 ZINC000820443827 781868932 /nfs/dbraw/zinc/86/89/32/781868932.db2.gz IQEMYLKRRAQRBM-GFCCVEGCSA-N 0 1 284.363 2.516 20 30 CFEDMN Cc1ncncc1[C@@H](C)NCc1ccc(CC#N)cc1 ZINC000594506947 349433685 /nfs/dbraw/zinc/43/36/85/349433685.db2.gz HUOMDEFXOKQIIV-GFCCVEGCSA-N 0 1 266.348 2.702 20 30 CFEDMN N#Cc1ccc(CN[C@@H]2CCc3ccccc3NC2=O)s1 ZINC000594511203 349435432 /nfs/dbraw/zinc/43/54/32/349435432.db2.gz RWPAOXNPFYJFLM-OAHLLOKOSA-N 0 1 297.383 2.663 20 30 CFEDMN N#Cc1csc(CN[C@@H]2CCc3ccccc3NC2=O)c1 ZINC000594511896 349436359 /nfs/dbraw/zinc/43/63/59/349436359.db2.gz SAENMLMMXDFTMY-OAHLLOKOSA-N 0 1 297.383 2.663 20 30 CFEDMN C[C@@H](NC1(c2ccc(C#N)cc2)CCC1)c1ccc(=O)[nH]n1 ZINC000594518315 349440217 /nfs/dbraw/zinc/44/02/17/349440217.db2.gz OPRRPYSEMVOAGE-GFCCVEGCSA-N 0 1 294.358 2.784 20 30 CFEDMN N#CCCCCc1nc(-c2ccc3[nH]cnc3c2)no1 ZINC000594536803 349442822 /nfs/dbraw/zinc/44/28/22/349442822.db2.gz GXAVWNCJJJVBPO-UHFFFAOYSA-N 0 1 267.292 2.849 20 30 CFEDMN Cn1cc(-c2ccc(CNCC3(C#N)CCC3)s2)cn1 ZINC000573345976 334929907 /nfs/dbraw/zinc/92/99/07/334929907.db2.gz UADGVVKCWOACFH-UHFFFAOYSA-N 0 1 286.404 2.932 20 30 CFEDMN N#CCC1(CSc2nc(-c3ccccc3O)n[nH]2)CC1 ZINC000594884014 349493154 /nfs/dbraw/zinc/49/31/54/349493154.db2.gz WTIJOGHWWGJNQO-UHFFFAOYSA-N 0 1 286.360 2.963 20 30 CFEDMN COc1cc(CN[C@H](c2ccccc2)[C@H](C)O)ccc1C#N ZINC000595007640 349546159 /nfs/dbraw/zinc/54/61/59/349546159.db2.gz PGNDWGSQQDCMSO-UGSOOPFHSA-N 0 1 296.370 2.779 20 30 CFEDMN COc1cc([N+](=O)[O-])ccc1[C@H](C)N[C@@H]1CC[C@H](C#N)C1 ZINC000595044715 349562012 /nfs/dbraw/zinc/56/20/12/349562012.db2.gz OEGPYCKQQYIQAL-SDDRHHMPSA-N 0 1 289.335 2.946 20 30 CFEDMN C[C@@H](NCCO[C@H]1CC1(F)F)c1ccc(C#N)cc1F ZINC000595067747 349573350 /nfs/dbraw/zinc/57/33/50/349573350.db2.gz HWPMTHVKAZTQME-RNCFNFMXSA-N 0 1 284.281 2.772 20 30 CFEDMN C[C@H](NCCO[C@H]1CC1(F)F)c1ccc(C#N)cc1F ZINC000595067751 349573408 /nfs/dbraw/zinc/57/34/08/349573408.db2.gz HWPMTHVKAZTQME-ZANVPECISA-N 0 1 284.281 2.772 20 30 CFEDMN C=CCCSCCN[C@H](c1nnc[nH]1)c1ccccc1 ZINC000595057158 349568499 /nfs/dbraw/zinc/56/84/99/349568499.db2.gz BBYSJBIKMXCCML-AWEZNQCLSA-N 0 1 288.420 2.793 20 30 CFEDMN C[C@@H](NCCc1ccc(C#N)cc1)c1cscn1 ZINC000595056734 349568588 /nfs/dbraw/zinc/56/85/88/349568588.db2.gz VOCUNBFPWPKXPE-LLVKDONJSA-N 0 1 257.362 2.908 20 30 CFEDMN C=CCCSCCN[C@H]1C[C@H](C)n2ccnc21 ZINC000595060976 349571262 /nfs/dbraw/zinc/57/12/62/349571262.db2.gz WWBYGIXNZPPADG-RYUDHWBXSA-N 0 1 251.399 2.788 20 30 CFEDMN C=CCCSCCN[C@@H](C)c1cc2n(n1)CCC2 ZINC000595060551 349571321 /nfs/dbraw/zinc/57/13/21/349571321.db2.gz VGKKMRXAZYYZTA-LBPRGKRZSA-N 0 1 265.426 2.789 20 30 CFEDMN C=CCCSCCN[C@H]1C[C@@H](C)n2ccnc21 ZINC000595060968 349571460 /nfs/dbraw/zinc/57/14/60/349571460.db2.gz WWBYGIXNZPPADG-NEPJUHHUSA-N 0 1 251.399 2.788 20 30 CFEDMN CO[C@@H](CN1CCC[C@@](C)(C#N)C1)C1CCCC1 ZINC000595425083 349621290 /nfs/dbraw/zinc/62/12/90/349621290.db2.gz IYZGFILPGRAPSE-GJZGRUSLSA-N 0 1 250.386 2.817 20 30 CFEDMN Cc1ncc(CN[C@H]2CCCc3cc(C#N)ccc32)cn1 ZINC000418144522 282156457 /nfs/dbraw/zinc/15/64/57/282156457.db2.gz KWSFPPPPNGJFBY-KRWDZBQOSA-N 0 1 278.359 2.824 20 30 CFEDMN CCc1n[nH]c(C2CCN([C@@H](C#N)c3ccccc3)CC2)n1 ZINC000595456930 349632682 /nfs/dbraw/zinc/63/26/82/349632682.db2.gz ZDSRQWTZZJBFFQ-HNNXBMFYSA-N 0 1 295.390 2.811 20 30 CFEDMN CCc1nnc(C2CCN([C@@H](C#N)c3ccccc3)CC2)[nH]1 ZINC000595456930 349632685 /nfs/dbraw/zinc/63/26/85/349632685.db2.gz ZDSRQWTZZJBFFQ-HNNXBMFYSA-N 0 1 295.390 2.811 20 30 CFEDMN N#Cc1ccc(CN2CCC[C@H](c3ccccn3)C2)nc1 ZINC000595499185 349642499 /nfs/dbraw/zinc/64/24/99/349642499.db2.gz CTPVLMYIMQQCJI-HNNXBMFYSA-N 0 1 278.359 2.728 20 30 CFEDMN C[C@@H]1CN([C@@H](C#N)c2ccc(Cl)cc2)C[C@H](C)N1C ZINC000595504267 349644827 /nfs/dbraw/zinc/64/48/27/349644827.db2.gz AEVOHZGWLQAHFJ-ZOWXZIJZSA-N 0 1 277.799 2.929 20 30 CFEDMN CCc1nocc1CN(C)CCc1ccc(C#N)cc1 ZINC000595505274 349644879 /nfs/dbraw/zinc/64/48/79/349644879.db2.gz PMAKYGYWHVMLMW-UHFFFAOYSA-N 0 1 269.348 2.783 20 30 CFEDMN C=CCN(CC(F)(F)F)C(=O)c1cccc2c[nH]nc21 ZINC000069137484 346883530 /nfs/dbraw/zinc/88/35/30/346883530.db2.gz OXJVCSBRAFSACQ-UHFFFAOYSA-N 0 1 283.253 2.753 20 30 CFEDMN CN(Cc1cnc[nH]1)Cc1ccc(C#N)cc1OC(F)F ZINC000595596811 349669113 /nfs/dbraw/zinc/66/91/13/349669113.db2.gz NWHMJASHPKUQRR-UHFFFAOYSA-N 0 1 292.289 2.515 20 30 CFEDMN CN(Cc1cnc[nH]1)C(=O)N[C@H](CCC#N)c1ccccc1 ZINC000595570016 349662956 /nfs/dbraw/zinc/66/29/56/349662956.db2.gz VYPVDTAJIUDHGD-OAHLLOKOSA-N 0 1 297.362 2.596 20 30 CFEDMN CN(Cc1cnc[nH]1)C(=O)N[C@@H](CCC#N)c1ccccc1 ZINC000595570014 349662963 /nfs/dbraw/zinc/66/29/63/349662963.db2.gz VYPVDTAJIUDHGD-HNNXBMFYSA-N 0 1 297.362 2.596 20 30 CFEDMN COc1cccc(OCC[N@H+]2CCC[C@@H](CC#N)C2)c1 ZINC000595619438 349678502 /nfs/dbraw/zinc/67/85/02/349678502.db2.gz BCTANSVBILZOAW-AWEZNQCLSA-N 0 1 274.364 2.700 20 30 CFEDMN N#CC[C@@H]1CCC[N@@H+](CCc2ccc(C#N)cc2)C1 ZINC000595618450 349678724 /nfs/dbraw/zinc/67/87/24/349678724.db2.gz YDVJBDRFCFXYQW-INIZCTEOSA-N 0 1 253.349 2.726 20 30 CFEDMN C=CCN(Cc1ccc(C#N)c(F)c1)[C@H](C)COC ZINC000595638903 349686106 /nfs/dbraw/zinc/68/61/06/349686106.db2.gz OEQREHCBXPKEDO-GFCCVEGCSA-N 0 1 262.328 2.720 20 30 CFEDMN CCN(C[C@@H](C)C#N)C(=O)CN1CCC(C2CCC2)CC1 ZINC000595661389 349693905 /nfs/dbraw/zinc/69/39/05/349693905.db2.gz ZYQCENUEWHBIRT-AWEZNQCLSA-N 0 1 291.439 2.507 20 30 CFEDMN C=CCN(Cc1cccc([N+](=O)[O-])c1C)[C@@H](C)COC ZINC000595645609 349688685 /nfs/dbraw/zinc/68/86/85/349688685.db2.gz GGJYMJGTBOFOFD-LBPRGKRZSA-N 0 1 278.352 2.926 20 30 CFEDMN C[C@H]1CN(Cc2ccc(C#N)cc2Cl)C[C@H](C)C1O ZINC000595734379 349719791 /nfs/dbraw/zinc/71/97/91/349719791.db2.gz YSMGULKBEHGZNI-QWRGUYRKSA-N 0 1 278.783 2.660 20 30 CFEDMN C[C@@]12COC[C@H]1CN(Cc1ccc(C#N)cc1Cl)C2 ZINC000595755649 349724004 /nfs/dbraw/zinc/72/40/04/349724004.db2.gz CDNWDHDXQUJBBG-UKRRQHHQSA-N 0 1 276.767 2.680 20 30 CFEDMN C=CCN(Cc1cc(C(=O)OC)co1)C(C)(C)C ZINC000595762662 349726328 /nfs/dbraw/zinc/72/63/28/349726328.db2.gz DEFPCWPSWOGYJG-UHFFFAOYSA-N 0 1 251.326 2.853 20 30 CFEDMN C=CCC1(NCc2onc(C)c2[N+](=O)[O-])CCCC1 ZINC000595780057 349731118 /nfs/dbraw/zinc/73/11/18/349731118.db2.gz GOHANXQHSJGEQY-UHFFFAOYSA-N 0 1 265.313 2.870 20 30 CFEDMN COc1ccc(CN2CC[C@@H](C)O[C@@H](C)C2)cc1C#N ZINC000595781026 349731791 /nfs/dbraw/zinc/73/17/91/349731791.db2.gz PIRBYOMQUMJUDK-OLZOCXBDSA-N 0 1 274.364 2.566 20 30 CFEDMN COc1cncc(/C=C\CCN2CC[C@@](C)(C#N)C2)c1 ZINC000595841879 349753142 /nfs/dbraw/zinc/75/31/42/349753142.db2.gz OYYKWMRJRSEVPX-IMMZDGJCSA-N 0 1 271.364 2.729 20 30 CFEDMN C=C1C[C@H]2CC[C@@H](C1)N2Cc1n[nH]c(C)c1C(=O)OCC ZINC000595845619 349754236 /nfs/dbraw/zinc/75/42/36/349754236.db2.gz RGVSKCXOGGUPDX-BETUJISGSA-N 0 1 289.379 2.578 20 30 CFEDMN CC(C)(C#N)CCN[C@H](CO)c1ccc(F)cc1F ZINC000595868407 349757434 /nfs/dbraw/zinc/75/74/34/349757434.db2.gz WDSKNOKOLMMQAF-CYBMUJFWSA-N 0 1 268.307 2.528 20 30 CFEDMN C[C@H]1CN(Cc2ccc(C#N)cc2Cl)C[C@@]1(C)CO ZINC000595871113 349758563 /nfs/dbraw/zinc/75/85/63/349758563.db2.gz IBOUECPMPAGASX-NHYWBVRUSA-N 0 1 278.783 2.662 20 30 CFEDMN CO[C@H](CNC[C@@H](C#N)CCC#N)C1CCCCC1 ZINC000596045830 349780231 /nfs/dbraw/zinc/78/02/31/349780231.db2.gz GRGQZGCDHRNPRP-UKRRQHHQSA-N 0 1 263.385 2.615 20 30 CFEDMN C[C@H](CN=c1[n-]c(C#N)c(Cl)s1)[N@H+]1CCC[C@H](C)C1 ZINC000596077595 349788405 /nfs/dbraw/zinc/78/84/05/349788405.db2.gz KXUGRNXWCAFRSW-VHSXEESVSA-N 0 1 298.843 2.622 20 30 CFEDMN Cc1cc(C(C#N)C(=O)[C@@H]2[C@H](C)[C@@H]2C2CC2)nc(C)n1 ZINC000528920360 383677134 /nfs/dbraw/zinc/67/71/34/383677134.db2.gz UWYYJYAVLWXMGM-OCCNTAHWSA-N 0 1 269.348 2.562 20 30 CFEDMN C[C@H](C[N@H+]1CCC[C@@H](C)C1)N=c1[n-]c(C#N)c(Cl)s1 ZINC000596086039 349790670 /nfs/dbraw/zinc/79/06/70/349790670.db2.gz SWGAMARTJIYILH-NXEZZACHSA-N 0 1 298.843 2.622 20 30 CFEDMN C[C@@H]1CCCC[N@@H+]1CCCN=c1[n-]c(C#N)c(Cl)s1 ZINC000596062412 349784320 /nfs/dbraw/zinc/78/43/20/349784320.db2.gz QRYDIJCQRXYJOP-SNVBAGLBSA-N 0 1 298.843 2.766 20 30 CFEDMN C[C@@H]1CCCC[N@H+]1CCCN=c1[n-]c(C#N)c(Cl)s1 ZINC000596062412 349784323 /nfs/dbraw/zinc/78/43/23/349784323.db2.gz QRYDIJCQRXYJOP-SNVBAGLBSA-N 0 1 298.843 2.766 20 30 CFEDMN CC(C)CCOCCNc1nc(C#N)c(Cl)s1 ZINC000596092056 349792642 /nfs/dbraw/zinc/79/26/42/349792642.db2.gz JCEIKGUOPGLVJU-UHFFFAOYSA-N 0 1 273.789 2.565 20 30 CFEDMN C[C@@H]1CCC[C@H](C)[N@@H+]1CCN=c1[n-]c(C#N)c(Cl)s1 ZINC000596121062 349799005 /nfs/dbraw/zinc/79/90/05/349799005.db2.gz JNMZPQSUUYIWHG-AOOOYVTPSA-N 0 1 298.843 2.765 20 30 CFEDMN C[C@H]1CN(CC(=O)Nc2ccc(C#N)c(Cl)c2)C[C@@H]1C ZINC000072870923 346944476 /nfs/dbraw/zinc/94/44/76/346944476.db2.gz WUDWTFFXKPRLAN-QWRGUYRKSA-N 0 1 291.782 2.738 20 30 CFEDMN CC1(C)CCC[C@](O)(CNc2nc(C#N)c(Cl)s2)C1 ZINC000596203160 349825753 /nfs/dbraw/zinc/82/57/53/349825753.db2.gz MTKVLBNYLJHJAB-CYBMUJFWSA-N 0 1 299.827 2.833 20 30 CFEDMN CC(C)C(=O)N[C@@H]1CCCC[C@H]1NCc1ccccc1C#N ZINC001085136548 781923036 /nfs/dbraw/zinc/92/30/36/781923036.db2.gz BNVKHXDAOLZJLJ-IAGOWNOFSA-N 0 1 299.418 2.731 20 30 CFEDMN CCC(C)(C)N1CCN(c2nc(C#N)c(Cl)s2)CC1 ZINC000596297772 349856320 /nfs/dbraw/zinc/85/63/20/349856320.db2.gz HWWHVHRAULAVRX-UHFFFAOYSA-N 0 1 298.843 2.979 20 30 CFEDMN CC[C@H](COCC1CC1)Nc1nc(C#N)c(Cl)s1 ZINC000596325575 349863856 /nfs/dbraw/zinc/86/38/56/349863856.db2.gz BDRXZYFZTVRGKC-SECBINFHSA-N 0 1 285.800 2.707 20 30 CFEDMN N#CC1(C(=O)Nc2cccc(-c3nnc[nH]3)c2)CCCCC1 ZINC000074142910 346999166 /nfs/dbraw/zinc/99/91/66/346999166.db2.gz FMGIWYMHUWLCRS-UHFFFAOYSA-N 0 1 295.346 2.884 20 30 CFEDMN N#Cc1ccnc(NC[C@@H]2CCN2Cc2ccccc2)c1 ZINC000596553439 349939992 /nfs/dbraw/zinc/93/99/92/349939992.db2.gz SOSOXSGLAKCQKE-INIZCTEOSA-N 0 1 278.359 2.640 20 30 CFEDMN O=C(NCCOC1CCCCC1)c1ccc2cncn2c1 ZINC000328775569 539518120 /nfs/dbraw/zinc/51/81/20/539518120.db2.gz CJDVPFLJURNEQW-UHFFFAOYSA-N 0 1 287.363 2.988 20 30 CFEDMN C[C@@H](N(C)CC(=O)Nc1sccc1C#N)C(C)(C)C ZINC000027133184 346268068 /nfs/dbraw/zinc/26/80/68/346268068.db2.gz FPKDIJIZHKNHFO-SNVBAGLBSA-N 0 1 279.409 2.925 20 30 CFEDMN Cc1cc(-c2noc([C@@H](C)CC#N)n2)cc2nc[nH]c21 ZINC000596588141 349950109 /nfs/dbraw/zinc/95/01/09/349950109.db2.gz UXXDSHRWXUOVID-QMMMGPOBSA-N 0 1 267.292 2.939 20 30 CFEDMN CC(C)N(C)C(=O)C1CCN(Cc2ccccc2C#N)CC1 ZINC000030271549 346287502 /nfs/dbraw/zinc/28/75/02/346287502.db2.gz SYPHAHXZWWZXCZ-UHFFFAOYSA-N 0 1 299.418 2.637 20 30 CFEDMN N#CC(C(=O)c1cccs1)c1nnc2n1CCCCC2 ZINC000035426703 346321243 /nfs/dbraw/zinc/32/12/43/346321243.db2.gz FINRFWNSQWKTGG-JTQLQIEISA-N 0 1 286.360 2.556 20 30 CFEDMN Cc1cc(C(C#N)C(=O)c2cccs2)nc(C)n1 ZINC000041574176 346353096 /nfs/dbraw/zinc/35/30/96/346353096.db2.gz IGOMDZBWAHWEFZ-JTQLQIEISA-N 0 1 257.318 2.645 20 30 CFEDMN CC(C)CCO[C@@H]1CCN(Cc2ccc(C#N)cn2)C1 ZINC000596617479 349957441 /nfs/dbraw/zinc/95/74/41/349957441.db2.gz KBJZVGWFZWVSLK-MRXNPFEDSA-N 0 1 273.380 2.590 20 30 CFEDMN CCN(CC(=O)N[C@@](C)(C#N)C1CC1)Cc1ccccc1C ZINC000048059167 346465824 /nfs/dbraw/zinc/46/58/24/346465824.db2.gz YRPVAGXLPAJYSW-SFHVURJKSA-N 0 1 299.418 2.625 20 30 CFEDMN CC(C)(C)C[N@@H+](CC(=O)[O-])Cc1ccc(C#N)cc1F ZINC000596657159 349970131 /nfs/dbraw/zinc/97/01/31/349970131.db2.gz RNLVYSMELGKLAK-UHFFFAOYSA-N 0 1 278.327 2.630 20 30 CFEDMN C=C(C)CN(CC)CC(=O)N1CCc2sccc2C1 ZINC000054845861 346577949 /nfs/dbraw/zinc/57/79/49/346577949.db2.gz CBIMRXJTFOWDRI-UHFFFAOYSA-N 0 1 278.421 2.531 20 30 CFEDMN C=C(C)CN(CC)CC(=O)NC1CCCCCC1 ZINC000061758661 346683116 /nfs/dbraw/zinc/68/31/16/346683116.db2.gz IWTFPTNLBDCMOI-UHFFFAOYSA-N 0 1 252.402 2.723 20 30 CFEDMN C#CCN1CCC(C(=O)N(C)C[C@@H](C)c2ccccc2)CC1 ZINC000066457301 346762111 /nfs/dbraw/zinc/76/21/11/346762111.db2.gz VYJFITNMWOGHLG-MRXNPFEDSA-N 0 1 298.430 2.594 20 30 CFEDMN CCN(CCC#N)C(=O)CN1CCC[C@H]1c1ccc(C)cc1 ZINC000076876803 347158869 /nfs/dbraw/zinc/15/88/69/347158869.db2.gz ZQFWSTMKWCAZIK-KRWDZBQOSA-N 0 1 299.418 2.894 20 30 CFEDMN C[C@H]1CCCCN1CCNc1snc(Cl)c1C#N ZINC000079914565 347331389 /nfs/dbraw/zinc/33/13/89/347331389.db2.gz WFCBSCHHYMKELI-VIFPVBQESA-N 0 1 284.816 2.954 20 30 CFEDMN N#Cc1cc(C(=O)Nc2ccc3nc[nH]c3c2)ccc1F ZINC000082271837 347442841 /nfs/dbraw/zinc/44/28/41/347442841.db2.gz FGEFVHFRJLDQQD-UHFFFAOYSA-N 0 1 280.262 2.826 20 30 CFEDMN CC(C)CCN(C)[C@H]1CCN(c2sccc2C#N)C1=O ZINC000083168927 347448767 /nfs/dbraw/zinc/44/87/67/347448767.db2.gz PBFJWDREFWZBKG-ZDUSSCGKSA-N 0 1 291.420 2.703 20 30 CFEDMN C=CCCC[C@H](C)N1CCN(c2nc(CC)ns2)CC1 ZINC000091512692 347591298 /nfs/dbraw/zinc/59/12/98/347591298.db2.gz RBKLFXGJASXUIN-ZDUSSCGKSA-N 0 1 294.468 2.967 20 30 CFEDMN C[C@H]1C[C@@H](Nc2snc(Cl)c2C#N)CN1C1CC1 ZINC000092672293 347639966 /nfs/dbraw/zinc/63/99/66/347639966.db2.gz ZZGJLQWLILFKEU-JGVFFNPUSA-N 0 1 282.800 2.705 20 30 CFEDMN C=CCOc1ccc(CN2CCC(C#N)CC2)cc1 ZINC000123662930 347820809 /nfs/dbraw/zinc/82/08/09/347820809.db2.gz DYNQIGXAKQLNOA-UHFFFAOYSA-N 0 1 256.349 2.987 20 30 CFEDMN N#CC1CCN(C[C@@H](O)c2ccc(C(F)(F)F)cc2)CC1 ZINC000141980241 347932487 /nfs/dbraw/zinc/93/24/87/347932487.db2.gz KJGVTNFIFYUDRR-CQSZACIVSA-N 0 1 298.308 2.974 20 30 CFEDMN N#CC1CCN(C[C@H](O)c2ccc(C(F)(F)F)cc2)CC1 ZINC000141980449 347932543 /nfs/dbraw/zinc/93/25/43/347932543.db2.gz KJGVTNFIFYUDRR-AWEZNQCLSA-N 0 1 298.308 2.974 20 30 CFEDMN CC[N@@H+](Cc1cnc2ccc(C#N)cn12)C1CCCC1 ZINC000153670287 347974669 /nfs/dbraw/zinc/97/46/69/347974669.db2.gz CWQQLTBOBNRVJN-UHFFFAOYSA-N 0 1 268.364 2.970 20 30 CFEDMN CC[C@@H]1CO[C@H](C)CN1Cc1ccc(C#N)cc1C ZINC000165451512 348038887 /nfs/dbraw/zinc/03/88/87/348038887.db2.gz RACXUWDGLJPHPX-CZUORRHYSA-N 0 1 258.365 2.866 20 30 CFEDMN Cc1cc(C#N)ccc1CN1CCC(O)(C(F)(F)F)CC1 ZINC000314743860 348427072 /nfs/dbraw/zinc/42/70/72/348427072.db2.gz HYWYJFVHPPTROY-UHFFFAOYSA-N 0 1 298.308 2.756 20 30 CFEDMN CCN(CCCN(C[C@@H](C)C#N)C1CC1)CC(F)(F)F ZINC000355079314 348502579 /nfs/dbraw/zinc/50/25/79/348502579.db2.gz PYNBLCFWJYRKBB-LBPRGKRZSA-N 0 1 291.361 2.885 20 30 CFEDMN CC[C@@H]1COC(C)(C)CN1CCOc1ccccc1C#N ZINC000403829300 348587130 /nfs/dbraw/zinc/58/71/30/348587130.db2.gz AIXKMUBSALKFQW-OAHLLOKOSA-N 0 1 288.391 2.826 20 30 CFEDMN CC[C@H]1CN(CCOc2cccc(C#N)c2)[C@@H](CC)CO1 ZINC000403874302 348587596 /nfs/dbraw/zinc/58/75/96/348587596.db2.gz MEUTWBSLSFUIID-HOTGVXAUSA-N 0 1 288.391 2.826 20 30 CFEDMN COc1c(C)cnc(CN2CCC[C@H](CC#N)C2)c1C ZINC000397725966 348563380 /nfs/dbraw/zinc/56/33/80/348563380.db2.gz YQNWECPPQYPUFF-CQSZACIVSA-N 0 1 273.380 2.833 20 30 CFEDMN C=C(Cl)CN1C[C@H](CNC(=O)OC(C)(C)C)C[C@@H]1C ZINC000493805474 348636618 /nfs/dbraw/zinc/63/66/18/348636618.db2.gz KCAIYZMNSJHZBF-RYUDHWBXSA-N 0 1 288.819 2.974 20 30 CFEDMN Cc1cc(C#N)ccc1CN(CCCO)Cc1ccccn1 ZINC000588206818 348779700 /nfs/dbraw/zinc/77/97/00/348779700.db2.gz KASLAQXVAOTWMR-UHFFFAOYSA-N 0 1 295.386 2.646 20 30 CFEDMN CC[C@H](C)c1nc([C@@H](C)NC(=O)CCCCCC#N)n[nH]1 ZINC000588720731 348793138 /nfs/dbraw/zinc/79/31/38/348793138.db2.gz YEVFESDFZVPZRO-NWDGAFQWSA-N 0 1 291.399 2.969 20 30 CFEDMN Cc1nsc(Nc2cnn(-c3ccncc3)c2)c1C#N ZINC000588815495 348796897 /nfs/dbraw/zinc/79/68/97/348796897.db2.gz JFOGFZWJZSAOJH-UHFFFAOYSA-N 0 1 282.332 2.648 20 30 CFEDMN C[C@H](NCc1ccc(C#N)c(Cl)c1)c1cn[nH]c1 ZINC000585726500 348740352 /nfs/dbraw/zinc/74/03/52/348740352.db2.gz KSIFVWCSEWWRKU-VIFPVBQESA-N 0 1 260.728 2.786 20 30 CFEDMN C=C[C@H]1CCCCN1Cc1cnn(CC(F)(F)F)c1 ZINC000426556508 539667046 /nfs/dbraw/zinc/66/70/46/539667046.db2.gz BIWMBRBNYXMHLT-LBPRGKRZSA-N 0 1 273.302 2.986 20 30 CFEDMN N#Cc1cccc(-c2nc(-c3ccc(O)c(F)c3)no2)n1 ZINC000589368340 348830447 /nfs/dbraw/zinc/83/04/47/348830447.db2.gz NEKKXLTXZJNPEC-UHFFFAOYSA-N 0 1 282.234 2.515 20 30 CFEDMN CCN(Cc1cccc(F)c1C#N)C[C@@H]1CCOC1 ZINC000589983452 348867453 /nfs/dbraw/zinc/86/74/53/348867453.db2.gz JKFRWYOOAIUSDY-LBPRGKRZSA-N 0 1 262.328 2.556 20 30 CFEDMN N#Cc1cc(CN2CCC[C@H]2COc2ccccc2)ccn1 ZINC000590749737 348941732 /nfs/dbraw/zinc/94/17/32/348941732.db2.gz GHMGBYGKHSEEML-KRWDZBQOSA-N 0 1 293.370 2.997 20 30 CFEDMN C=CCC[C@@H](NCc1[nH]nc2ccccc21)C(=O)OCC ZINC000590661499 348924038 /nfs/dbraw/zinc/92/40/38/348924038.db2.gz CIBDXFYBYLGVOC-CQSZACIVSA-N 0 1 287.363 2.550 20 30 CFEDMN CO[C@]1(C(F)(F)F)CCCN([C@@H](C)CCC#N)C1 ZINC000591031534 348980906 /nfs/dbraw/zinc/98/09/06/348980906.db2.gz SBTNEWOXZPOYOE-WDEREUQCSA-N 0 1 264.291 2.722 20 30 CFEDMN C[N@@H+]1CC=C(CNc2cc(C(F)(F)F)cnc2C#N)CC1 ZINC000591154531 348994134 /nfs/dbraw/zinc/99/41/34/348994134.db2.gz NWIFLJYDYKNQDQ-UHFFFAOYSA-N 0 1 296.296 2.646 20 30 CFEDMN CCO[C@@H]1C[C@@H](NCc2ccc(C#N)cc2F)[C@@H]1SC ZINC000590956300 348972357 /nfs/dbraw/zinc/97/23/57/348972357.db2.gz KDCNXPFVXKNNNN-KFWWJZLASA-N 0 1 294.395 2.696 20 30 CFEDMN Cc1ccc(Cl)c(OC[C@@H](O)CNCC(C)(C)C#N)c1 ZINC000591759107 349041832 /nfs/dbraw/zinc/04/18/32/349041832.db2.gz FETKWQKFEBZIAG-LBPRGKRZSA-N 0 1 296.798 2.528 20 30 CFEDMN CN1CCCC[C@H]1C(=O)N[C@@H]1CCCc2cc(C#N)ccc21 ZINC000591322958 349009029 /nfs/dbraw/zinc/00/90/29/349009029.db2.gz ZJBHTOPMXQIOGS-SJORKVTESA-N 0 1 297.402 2.536 20 30 CFEDMN CCn1cncc1CN[C@H]1CCc2cc(C#N)ccc21 ZINC000591356903 349011694 /nfs/dbraw/zinc/01/16/94/349011694.db2.gz LWIWUIIQSICVMK-INIZCTEOSA-N 0 1 266.348 2.552 20 30 CFEDMN N#C[C@@H](c1ccccc1)N1CCN(CC2=CCCC2)CC1 ZINC000592079720 349080533 /nfs/dbraw/zinc/08/05/33/349080533.db2.gz HIYJGGOSMVELPX-SFHVURJKSA-N 0 1 281.403 2.979 20 30 CFEDMN C[C@@H](Cc1ccc(O)cc1)N(C)Cc1ccncc1C#N ZINC000592075279 349080682 /nfs/dbraw/zinc/08/06/82/349080682.db2.gz JPSTXDOUTQCNLG-ZDUSSCGKSA-N 0 1 281.359 2.722 20 30 CFEDMN C[C@H]1CC[N@@H+](Cc2ccncc2C#N)CC12CCC2 ZINC000592090232 349081097 /nfs/dbraw/zinc/08/10/97/349081097.db2.gz FFFLCDNJKTUSLX-ZDUSSCGKSA-N 0 1 255.365 2.965 20 30 CFEDMN C[C@H]1CCN(Cc2ccncc2C#N)CC12CCC2 ZINC000592090232 349081099 /nfs/dbraw/zinc/08/10/99/349081099.db2.gz FFFLCDNJKTUSLX-ZDUSSCGKSA-N 0 1 255.365 2.965 20 30 CFEDMN N#Cc1cnccc1CN1CCCC[C@@H]1[C@H]1CCCC[C@@H]1O ZINC000592120479 349085833 /nfs/dbraw/zinc/08/58/33/349085833.db2.gz CISKDLYCYMXACZ-KURKYZTESA-N 0 1 299.418 2.859 20 30 CFEDMN N#Cc1cc(CN2CC[C@H](Oc3ccccc3)C2)ccn1 ZINC000592136358 349089333 /nfs/dbraw/zinc/08/93/33/349089333.db2.gz KMFYVGCSPNNPQP-KRWDZBQOSA-N 0 1 279.343 2.607 20 30 CFEDMN N#CC[C@]1(O)CCN(CCOc2ccc3ccccc3c2)C1 ZINC000592145515 349090395 /nfs/dbraw/zinc/09/03/95/349090395.db2.gz WSGMAVCQFJBAAO-SFHVURJKSA-N 0 1 296.370 2.569 20 30 CFEDMN N#CC[C@@]1(O)CCN(CCCc2ccccc2Cl)C1 ZINC000592150237 349091054 /nfs/dbraw/zinc/09/10/54/349091054.db2.gz BIJUCOBCPGFJDJ-OAHLLOKOSA-N 0 1 278.783 2.623 20 30 CFEDMN C[C@H](Oc1ccc(C#N)cc1)c1nc([C@H]2CCCN2)no1 ZINC000592356990 349107790 /nfs/dbraw/zinc/10/77/90/349107790.db2.gz PFFFDNANPQQGBB-GXFFZTMASA-N 0 1 284.319 2.506 20 30 CFEDMN N#CC1(CN2CCC[C@@H](O)[C@@H]2CCc2ccccc2)CC1 ZINC000592165157 349094411 /nfs/dbraw/zinc/09/44/11/349094411.db2.gz AEGCAZCJTCJNAD-DLBZAZTESA-N 0 1 284.403 2.748 20 30 CFEDMN N#CC1(c2ccc(-c3nc([C@@H]4CCCN4)no3)cc2)CC1 ZINC000592357207 349107926 /nfs/dbraw/zinc/10/79/26/349107926.db2.gz UOIZBTMIFRSCLT-ZDUSSCGKSA-N 0 1 280.331 2.716 20 30 CFEDMN CCc1cccc(Cl)c1CN1CC[C@](O)(CC#N)C1 ZINC000592522947 349132893 /nfs/dbraw/zinc/13/28/93/349132893.db2.gz UFRJHIAVBHPPPT-OAHLLOKOSA-N 0 1 278.783 2.753 20 30 CFEDMN N#C[C@@H](CO)Cc1cccc(-c2cc(C(F)(F)F)n[nH]2)c1 ZINC000592988552 349182152 /nfs/dbraw/zinc/18/21/52/349182152.db2.gz FUQUFWUFBPRKJL-JTQLQIEISA-N 0 1 295.264 2.770 20 30 CFEDMN CCN(CC)Cc1ccc(C(=O)N[C@@](C)(C#N)C(C)C)o1 ZINC000592793925 349167398 /nfs/dbraw/zinc/16/73/98/349167398.db2.gz DKQAAYUFLBJSQE-INIZCTEOSA-N 0 1 291.395 2.789 20 30 CFEDMN N#Cc1ccc(F)c(CN2CC[C@@]3(CC3(F)F)C2)c1 ZINC000593116710 349213575 /nfs/dbraw/zinc/21/35/75/349213575.db2.gz NYUKJWBDJONAPF-CYBMUJFWSA-N 0 1 266.266 2.928 20 30 CFEDMN COc1cc(OC)c(CNCC2(CC#N)CC2)cc1F ZINC000593623129 349301530 /nfs/dbraw/zinc/30/15/30/349301530.db2.gz VPVZFMJQHKSZNZ-UHFFFAOYSA-N 0 1 278.327 2.626 20 30 CFEDMN CCc1cnccc1[C@H](C)NCc1ccc(C#N)cn1 ZINC000593976258 349343456 /nfs/dbraw/zinc/34/34/56/349343456.db2.gz HKZKSTKKNIHCPJ-LBPRGKRZSA-N 0 1 266.348 2.761 20 30 CFEDMN CCn1nnc(C)c1CNC1(c2ccc(C#N)cc2)CCC1 ZINC000594035041 349358611 /nfs/dbraw/zinc/35/86/11/349358611.db2.gz KKIKVISRDZYRBT-UHFFFAOYSA-N 0 1 295.390 2.647 20 30 CFEDMN CN(Cc1ccc(C#N)cn1)C1CC(OC(C)(C)C)C1 ZINC000594014018 349353575 /nfs/dbraw/zinc/35/35/75/349353575.db2.gz DROZVMDMHNLPEG-UHFFFAOYSA-N 0 1 273.380 2.731 20 30 CFEDMN Cc1nn(-c2ccncc2)cc1CNCC1(C#N)CCCC1 ZINC000593653181 349305020 /nfs/dbraw/zinc/30/50/20/349305020.db2.gz DYVOETDIHXQKEO-UHFFFAOYSA-N 0 1 295.390 2.749 20 30 CFEDMN COc1cccc(C[C@@H](C)NCC2(C#N)CCCC2)n1 ZINC000593653722 349305242 /nfs/dbraw/zinc/30/52/42/349305242.db2.gz VMPRGEBKOZMXCS-CYBMUJFWSA-N 0 1 273.380 2.695 20 30 CFEDMN CN1CCN(Cc2ccc(C#N)o2)[C@@H](Cc2ccccc2)C1 ZINC000593679065 349308525 /nfs/dbraw/zinc/30/85/25/349308525.db2.gz HNXDPBXNUNRKTB-INIZCTEOSA-N 0 1 295.386 2.510 20 30 CFEDMN N#Cc1csc(C[N@@H+]2CC[C@]3(CC3(F)F)C2)c1 ZINC000593697633 349312548 /nfs/dbraw/zinc/31/25/48/349312548.db2.gz NHXDFGZXZABVGS-NSHDSACASA-N 0 1 254.305 2.851 20 30 CFEDMN N#Cc1csc(CN2CC[C@]3(CC3(F)F)C2)c1 ZINC000593697633 349312551 /nfs/dbraw/zinc/31/25/51/349312551.db2.gz NHXDFGZXZABVGS-NSHDSACASA-N 0 1 254.305 2.851 20 30 CFEDMN CN(C)Cc1ccsc1C(=O)NCC1(C#N)CCCC1 ZINC000593774241 349323637 /nfs/dbraw/zinc/32/36/37/349323637.db2.gz ARUVLXWIYQZHEM-UHFFFAOYSA-N 0 1 291.420 2.623 20 30 CFEDMN CC(C)(C)OC(=O)CN(CCCCC#N)C1CCC1 ZINC000594050599 349364535 /nfs/dbraw/zinc/36/45/35/349364535.db2.gz AIQHVGOJSPWSIR-UHFFFAOYSA-N 0 1 266.385 2.876 20 30 CFEDMN C[C@@H]1CN(Cc2ccc(C3(C#N)CC3)cc2)C[C@H](C)O1 ZINC000596983618 350012344 /nfs/dbraw/zinc/01/23/44/350012344.db2.gz GKUPKQLSNQLTNT-OKILXGFUSA-N 0 1 270.376 2.851 20 30 CFEDMN C[C@H]1OCCN(Cc2ccc(C3(C#N)CC3)cc2)[C@H]1C ZINC000597011421 350016099 /nfs/dbraw/zinc/01/60/99/350016099.db2.gz WXXWZDAYWYKMQP-UONOGXRCSA-N 0 1 270.376 2.851 20 30 CFEDMN Cn1cc(CN2CCC[C@@H](CC#N)C2)c(-c2cccnc2)n1 ZINC000597174336 350044749 /nfs/dbraw/zinc/04/47/49/350044749.db2.gz PBLMJVINOACWAH-AWEZNQCLSA-N 0 1 295.390 2.608 20 30 CFEDMN COCC1(C2CCC2)CN(Cc2cc(C#N)cs2)C1 ZINC000597193095 350049647 /nfs/dbraw/zinc/04/96/47/350049647.db2.gz UZYUVVDPQHTJLT-UHFFFAOYSA-N 0 1 276.405 2.868 20 30 CFEDMN N#C[C@@H]1CCC[C@@H](N[C@H](CO)c2ccc(F)cc2F)C1 ZINC000597235179 350066433 /nfs/dbraw/zinc/06/64/33/350066433.db2.gz FLRIKEIMIIQZAM-IXPVHAAZSA-N 0 1 280.318 2.670 20 30 CFEDMN CCCCCc1cc(C(=O)N2CCC(C)(C#N)CC2)n[nH]1 ZINC000597486656 350103325 /nfs/dbraw/zinc/10/33/25/350103325.db2.gz LFLYLHKCKURSSF-UHFFFAOYSA-N 0 1 288.395 2.908 20 30 CFEDMN Cc1oc(C#N)cc1-c1nc([C@H](N)CC(C)C)no1 ZINC000414614151 233302081 /nfs/dbraw/zinc/30/20/81/233302081.db2.gz GQCVBGMIABLTCX-LLVKDONJSA-N 0 1 260.297 2.556 20 30 CFEDMN C[C@@H](C#N)N(C(=O)c1cc(-c2cccs2)[nH]n1)C1CC1 ZINC000598132488 350205213 /nfs/dbraw/zinc/20/52/13/350205213.db2.gz PVAUNJNVOOCWHU-VIFPVBQESA-N 0 1 286.360 2.655 20 30 CFEDMN C[C@@H](C#N)N(C(=O)c1cc(C2CCCCC2)[nH]n1)C1CC1 ZINC000598133717 350206887 /nfs/dbraw/zinc/20/68/87/350206887.db2.gz RVSCIALEEUORQI-NSHDSACASA-N 0 1 286.379 2.974 20 30 CFEDMN CCN(C(=O)c1cc(-c2cccs2)[nH]n1)[C@@H](C)C#N ZINC000598352632 350244017 /nfs/dbraw/zinc/24/40/17/350244017.db2.gz LCIQCYMVPUCQAC-VIFPVBQESA-N 0 1 274.349 2.512 20 30 CFEDMN C[C@@]1(C#N)CCN(C(=O)c2cc(-c3cccs3)[nH]n2)C1 ZINC000598410209 350260862 /nfs/dbraw/zinc/26/08/62/350260862.db2.gz FIXLREHCYGFKTL-AWEZNQCLSA-N 0 1 286.360 2.514 20 30 CFEDMN C[C@@]1(C#N)CCN(C(=O)c2cccc(C(F)(F)F)c2O)C1 ZINC000598420937 350266981 /nfs/dbraw/zinc/26/69/81/350266981.db2.gz WVECBEKKFISNTL-ZDUSSCGKSA-N 0 1 298.264 2.787 20 30 CFEDMN C=C1C[C@H]2CC[C@@H](C1)N2C(=O)c1cc(O)cc([N+](=O)[O-])c1 ZINC000598420856 350267061 /nfs/dbraw/zinc/26/70/61/350267061.db2.gz AYYKJQQJETZHKV-TXEJJXNPSA-N 0 1 288.303 2.624 20 30 CFEDMN CC1(C)CC[C@H](CO)N(Cc2cccc(C#N)c2F)C1 ZINC000598649299 350302293 /nfs/dbraw/zinc/30/22/93/350302293.db2.gz SYMACUCTJJAYGB-CQSZACIVSA-N 0 1 276.355 2.680 20 30 CFEDMN CC(C)(C#N)C[C@@H](O)CN1CC(C)(CC(F)(F)F)C1 ZINC000598706733 350314237 /nfs/dbraw/zinc/31/42/37/350314237.db2.gz UZEXAMWBIKJBRD-SNVBAGLBSA-N 0 1 278.318 2.561 20 30 CFEDMN CC(C)(C#N)C[C@@H](O)CN1CC2(CCC2)[C@@H]1c1ccncc1 ZINC000598705470 350314590 /nfs/dbraw/zinc/31/45/90/350314590.db2.gz KFIFHJNACPNZNG-CVEARBPZSA-N 0 1 299.418 2.909 20 30 CFEDMN CC(C)CCN(CCC#N)C[C@@H](O)CC(C)(C)C#N ZINC000598595061 350289183 /nfs/dbraw/zinc/28/91/83/350289183.db2.gz MLVGBTZHBOILFX-AWEZNQCLSA-N 0 1 265.401 2.549 20 30 CFEDMN Cc1csc(C(C)(C)NC[C@@H](O)CC(C)(C)C#N)n1 ZINC000598597378 350289942 /nfs/dbraw/zinc/28/99/42/350289942.db2.gz ZVJFZECIZYWEKR-NSHDSACASA-N 0 1 281.425 2.577 20 30 CFEDMN CCO[C@@H]1C[C@@H](N(C)Cc2ccc(C#N)o2)C12CCC2 ZINC000092040958 180311330 /nfs/dbraw/zinc/31/13/30/180311330.db2.gz NSSAIJYQMXPSER-HUUCEWRRSA-N 0 1 274.364 2.931 20 30 CFEDMN Cc1ccc(CN2CC[C@@H]([C@H](O)C(F)(F)F)C2)cc1C#N ZINC000599435007 350437759 /nfs/dbraw/zinc/43/77/59/350437759.db2.gz OUFLXTMFVIAQFQ-OCCSQVGLSA-N 0 1 298.308 2.612 20 30 CFEDMN CC(C)(C)OC(=O)[C@@]1(C)CCCN1CCCSCC#N ZINC000599494201 350446024 /nfs/dbraw/zinc/44/60/24/350446024.db2.gz GAUOFCRCLUGJKD-OAHLLOKOSA-N 0 1 298.452 2.829 20 30 CFEDMN CC(C)(C)CNC(=O)CNC(C)(C)c1cccc(C#N)c1 ZINC000599464089 350441740 /nfs/dbraw/zinc/44/17/40/350441740.db2.gz ZHXVQPZNXDUYIZ-UHFFFAOYSA-N 0 1 287.407 2.545 20 30 CFEDMN COC(=O)[C@@H]1CCN(Cc2ccccc2C#N)[C@H]2CCC[C@H]21 ZINC000599650496 350472783 /nfs/dbraw/zinc/47/27/83/350472783.db2.gz GOIQBNJEYZDRJH-BBWFWOEESA-N 0 1 298.386 2.722 20 30 CFEDMN COC(=O)[C@@H]1CC[N@@H+](CC#Cc2ccccc2)[C@H]2CCC[C@H]21 ZINC000599657186 350475237 /nfs/dbraw/zinc/47/52/37/350475237.db2.gz WRMXPMJMXCTHOJ-KSZLIROESA-N 0 1 297.398 2.702 20 30 CFEDMN COC(=O)[C@@H]1CCN(CC#Cc2ccccc2)[C@H]2CCC[C@H]21 ZINC000599657186 350475241 /nfs/dbraw/zinc/47/52/41/350475241.db2.gz WRMXPMJMXCTHOJ-KSZLIROESA-N 0 1 297.398 2.702 20 30 CFEDMN CN(Cc1ccc(F)cc1C#N)C[C@@H]1CCCOC1 ZINC000107690593 186186709 /nfs/dbraw/zinc/18/67/09/186186709.db2.gz LDSPSONGCJUOMT-LBPRGKRZSA-N 0 1 262.328 2.556 20 30 CFEDMN CN(CC(=O)N[C@H](CCC#N)c1ccccc1)C1CCC1 ZINC000600820293 350617833 /nfs/dbraw/zinc/61/78/33/350617833.db2.gz FTEYSSDGRXDWPO-MRXNPFEDSA-N 0 1 285.391 2.632 20 30 CFEDMN C[C@@H]1[C@@H](C)N(c2ncc(C#N)c3ccsc32)CCN1C ZINC000601136695 350679134 /nfs/dbraw/zinc/67/91/34/350679134.db2.gz JOAGOQGVAUXVMI-GHMZBOCLSA-N 0 1 286.404 2.697 20 30 CFEDMN CCN1CCN(c2ncc(C#N)c3ccsc32)[C@H](C)C1 ZINC000601165028 350685736 /nfs/dbraw/zinc/68/57/36/350685736.db2.gz IZKDRGLXWRUEGM-LLVKDONJSA-N 0 1 286.404 2.698 20 30 CFEDMN CC(C)(C)c1ccc(C#N)c(N2CC(N3CCCC3)C2)n1 ZINC000601193186 350693694 /nfs/dbraw/zinc/69/36/94/350693694.db2.gz AYEYVRPHHRDANU-UHFFFAOYSA-N 0 1 284.407 2.535 20 30 CFEDMN N#C[C@@H]1CC[C@H](N2CCN(c3cccc(F)c3)CC2)C1 ZINC000601314434 350721727 /nfs/dbraw/zinc/72/17/27/350721727.db2.gz GMZHBYBNTRCLFB-CJNGLKHVSA-N 0 1 273.355 2.640 20 30 CFEDMN N#C[C@H]1CC[C@@H](N2CCN(c3cccc(F)c3)CC2)C1 ZINC000601314436 350721784 /nfs/dbraw/zinc/72/17/84/350721784.db2.gz GMZHBYBNTRCLFB-XJKSGUPXSA-N 0 1 273.355 2.640 20 30 CFEDMN Cc1nc2c(cccc2C(=O)N(C)[C@@H]2CCC[C@@H]2C#N)[nH]1 ZINC000601817303 350783758 /nfs/dbraw/zinc/78/37/58/350783758.db2.gz MJOZAUKFDKFHLV-BXUZGUMPSA-N 0 1 282.347 2.636 20 30 CFEDMN C[C@@H](CC#N)N1N=C(c2ccc(Cl)cc2)CC1=O ZINC000601935675 350808066 /nfs/dbraw/zinc/80/80/66/350808066.db2.gz LMRCXIDPMZHYOM-VIFPVBQESA-N 0 1 261.712 2.579 20 30 CFEDMN Cc1nc(C#N)c(-n2[nH]c(CCc3ccccc3)cc2=O)o1 ZINC000601940961 350811111 /nfs/dbraw/zinc/81/11/11/350811111.db2.gz UZQPUNTVNAYGOY-UHFFFAOYSA-N 0 1 294.314 2.580 20 30 CFEDMN Cc1[nH]n(CCCOc2ccccc2)c(=O)c1CCC#N ZINC000601940845 350811372 /nfs/dbraw/zinc/81/13/72/350811372.db2.gz TWDJKASYUQGMRY-HNNXBMFYSA-N 0 1 285.347 2.594 20 30 CFEDMN Cc1[nH]n(Cc2cnc3ccccc3c2)c(=O)c1CCC#N ZINC000601944104 350812534 /nfs/dbraw/zinc/81/25/34/350812534.db2.gz JUIVGCYMKBNPFH-HNNXBMFYSA-N 0 1 292.342 2.873 20 30 CFEDMN C[C@H]1C[C@H](NCc2cccc(F)c2C#N)CS1 ZINC000602019439 350832904 /nfs/dbraw/zinc/83/29/04/350832904.db2.gz HFQRMNLFOOBJAO-ONGXEEELSA-N 0 1 250.342 2.681 20 30 CFEDMN CC1(C)CC[C@H](CNCc2cccc(F)c2C#N)O1 ZINC000602018197 350832977 /nfs/dbraw/zinc/83/29/77/350832977.db2.gz WXAJBYGCGPRPDK-GFCCVEGCSA-N 0 1 262.328 2.745 20 30 CFEDMN CCOc1ccc(N(CCC#N)C(=O)c2[nH]cnc2C)cc1 ZINC000602092043 350839856 /nfs/dbraw/zinc/83/98/56/350839856.db2.gz RMSNECZLDUABPY-UHFFFAOYSA-N 0 1 298.346 2.677 20 30 CFEDMN C[C@H](C(=O)N[C@H](C#N)c1ccc(C(C)(C)C)cc1)N(C)C ZINC000602096972 350840754 /nfs/dbraw/zinc/84/07/54/350840754.db2.gz OSAYIGZWTPLKQZ-IUODEOHRSA-N 0 1 287.407 2.615 20 30 CFEDMN Cc1[nH]ncc1CN(C)C(=O)c1ccc(C(C)(C)C#N)cc1 ZINC000602171137 350849180 /nfs/dbraw/zinc/84/91/80/350849180.db2.gz DBTFBGSKWSSLFD-UHFFFAOYSA-N 0 1 296.374 2.792 20 30 CFEDMN Cc1cc(CN)oc1C(=O)NC(C)(C)c1cccc(C#N)c1 ZINC000602525718 350914904 /nfs/dbraw/zinc/91/49/04/350914904.db2.gz JARKGNVQRBSPRL-UHFFFAOYSA-N 0 1 297.358 2.584 20 30 CFEDMN CC(C)n1ccc(CN[C@@H](C)CC2(C#N)CCOCC2)n1 ZINC000602553282 350922255 /nfs/dbraw/zinc/92/22/55/350922255.db2.gz RQVLCEOLBRIZIP-AWEZNQCLSA-N 0 1 290.411 2.653 20 30 CFEDMN C[C@@H](NCc1cccc(C#N)n1)c1ccc([S@@](C)=O)cc1 ZINC000602578476 350931756 /nfs/dbraw/zinc/93/17/56/350931756.db2.gz VITKRHGFCZMHND-XUSGNXJCSA-N 0 1 299.399 2.541 20 30 CFEDMN CCCc1ncc(CN[C@@H](C)CC2(C#N)CCOCC2)o1 ZINC000602684310 350977631 /nfs/dbraw/zinc/97/76/31/350977631.db2.gz OMFPLIZZFHGUHG-ZDUSSCGKSA-N 0 1 291.395 2.816 20 30 CFEDMN Cc1cc(C)c(/C=C\CN2CC[C@](O)(CC#N)C2)c(C)c1 ZINC000602694667 350982569 /nfs/dbraw/zinc/98/25/69/350982569.db2.gz ATQZSIZSDFPOIF-PYTPGESOSA-N 0 1 284.403 2.976 20 30 CFEDMN N#Cc1ccc2c(c1)CCC[C@H]2NCc1cccc(C#N)n1 ZINC000602695297 350983565 /nfs/dbraw/zinc/98/35/65/350983565.db2.gz LTVVKWMZFWZTOC-GOSISDBHSA-N 0 1 288.354 2.992 20 30 CFEDMN CO[C@H](CNCC1(C#N)CCCC1)Cc1ccccc1 ZINC000602700500 350987094 /nfs/dbraw/zinc/98/70/94/350987094.db2.gz UCFDYWNNLSWERK-INIZCTEOSA-N 0 1 272.392 2.918 20 30 CFEDMN C[C@H](CCC#N)CN1C[C@H](C)O[C@@](C)(C(F)F)C1 ZINC000602714631 350995716 /nfs/dbraw/zinc/99/57/16/350995716.db2.gz HVVUVCMWNSGYEZ-NTZNESFSSA-N 0 1 260.328 2.671 20 30 CFEDMN C[C@H](CCC#N)CN1CCO[C@H](COc2ccccc2)C1 ZINC000602634402 350955031 /nfs/dbraw/zinc/95/50/31/350955031.db2.gz OZRLOVJGLFFBIU-WBVHZDCISA-N 0 1 288.391 2.706 20 30 CFEDMN CC(C)(CO)[C@H](NCc1cccc(C#N)n1)c1ccccc1 ZINC000602636552 350956130 /nfs/dbraw/zinc/95/61/30/350956130.db2.gz IQBNCVFQPCJFOL-QGZVFWFLSA-N 0 1 295.386 2.803 20 30 CFEDMN C[N@H+](Cc1nc(=O)c2sccc2[n-]1)CC1(CC#N)CC1 ZINC000602809352 351034158 /nfs/dbraw/zinc/03/41/58/351034158.db2.gz BHTQZILJZJKAFC-UHFFFAOYSA-N 0 1 288.376 2.523 20 30 CFEDMN C[N@@H+](Cc1nc(=O)c2sccc2[n-]1)CC1(CC#N)CC1 ZINC000602809352 351034161 /nfs/dbraw/zinc/03/41/61/351034161.db2.gz BHTQZILJZJKAFC-UHFFFAOYSA-N 0 1 288.376 2.523 20 30 CFEDMN CO[C@]1(C(F)(F)F)CCCN(CC2(CC#N)CC2)C1 ZINC000602815687 351035920 /nfs/dbraw/zinc/03/59/20/351035920.db2.gz QHKJIRRAWKOOML-GFCCVEGCSA-N 0 1 276.302 2.724 20 30 CFEDMN C[C@H]1CN(CCC2(C#N)CCCCC2)C[C@H](C)N1CC#N ZINC000602848218 351044223 /nfs/dbraw/zinc/04/42/23/351044223.db2.gz FNQHNWLXCAUWEJ-HOTGVXAUSA-N 0 1 288.439 2.769 20 30 CFEDMN CN(CCC#N)Cc1nc2ccc(C(F)(F)F)cc2[nH]1 ZINC000602893611 351059551 /nfs/dbraw/zinc/05/95/51/351059551.db2.gz QXJBZWXRVIAXLC-UHFFFAOYSA-N 0 1 282.269 2.927 20 30 CFEDMN N#Cc1cc(CN2CCC(c3ccc(F)cn3)CC2)ccn1 ZINC000602904166 351061610 /nfs/dbraw/zinc/06/16/10/351061610.db2.gz MQSJGTSZUXGLAY-UHFFFAOYSA-N 0 1 296.349 2.867 20 30 CFEDMN CC[N@@H+](C[C@H]1COc2ccccc2O1)CC1(CC#N)CC1 ZINC000602757173 351015031 /nfs/dbraw/zinc/01/50/31/351015031.db2.gz RQRIERXMOFQSPX-AWEZNQCLSA-N 0 1 286.375 2.842 20 30 CFEDMN CCN(C[C@H]1COc2ccccc2O1)CC1(CC#N)CC1 ZINC000602757173 351015034 /nfs/dbraw/zinc/01/50/34/351015034.db2.gz RQRIERXMOFQSPX-AWEZNQCLSA-N 0 1 286.375 2.842 20 30 CFEDMN CC[N@@H+](C[C@@H]1COc2ccccc2O1)CC1(CC#N)CC1 ZINC000602757174 351015111 /nfs/dbraw/zinc/01/51/11/351015111.db2.gz RQRIERXMOFQSPX-CQSZACIVSA-N 0 1 286.375 2.842 20 30 CFEDMN CCN(C[C@@H]1COc2ccccc2O1)CC1(CC#N)CC1 ZINC000602757174 351015115 /nfs/dbraw/zinc/01/51/15/351015115.db2.gz RQRIERXMOFQSPX-CQSZACIVSA-N 0 1 286.375 2.842 20 30 CFEDMN CCn1nc(C)c(CN(C)[C@@H]2CC[C@H](C#N)C2)c1C ZINC000602924562 351068305 /nfs/dbraw/zinc/06/83/05/351068305.db2.gz FOPNZYCRKLBNAM-UONOGXRCSA-N 0 1 260.385 2.644 20 30 CFEDMN CN(CCC(=O)Nc1ccccc1)[C@H]1CCC[C@@H]1C#N ZINC000602976249 351077125 /nfs/dbraw/zinc/07/71/25/351077125.db2.gz NDVOUGLCEWZARZ-HIFRSBDPSA-N 0 1 271.364 2.639 20 30 CFEDMN CN(Cc1cccc(-n2cccn2)c1)[C@H]1CCC[C@H]1C#N ZINC000602979839 351081416 /nfs/dbraw/zinc/08/14/16/351081416.db2.gz IHYICMOILXYDFB-RDJZCZTQSA-N 0 1 280.375 2.996 20 30 CFEDMN CC[C@]1(O)CCCN(Cc2ccc(C#N)cc2Cl)C1 ZINC000602983573 351084965 /nfs/dbraw/zinc/08/49/65/351084965.db2.gz NGRZAQBJFAEKIG-HNNXBMFYSA-N 0 1 278.783 2.949 20 30 CFEDMN N#CCc1ccc(NC(=O)c2cc(-c3ccoc3)n[nH]2)cc1 ZINC000603685610 351178312 /nfs/dbraw/zinc/17/83/12/351178312.db2.gz MBJXXCAINBHOQL-UHFFFAOYSA-N 0 1 292.298 2.988 20 30 CFEDMN CC[N@H+]1CCC[C@@H]1CNc1c(C#N)cnn1-c1ccccc1 ZINC000603278114 351129427 /nfs/dbraw/zinc/12/94/27/351129427.db2.gz SLADWVWDDZKTOL-MRXNPFEDSA-N 0 1 295.390 2.640 20 30 CFEDMN CC[N@H+]1CCC[C@H]1CNc1c(C#N)cnn1-c1ccccc1 ZINC000603278113 351129552 /nfs/dbraw/zinc/12/95/52/351129552.db2.gz SLADWVWDDZKTOL-INIZCTEOSA-N 0 1 295.390 2.640 20 30 CFEDMN C#CCN(C[C@@H](O)c1ccc(C(F)(F)F)cc1)C1CC1 ZINC000291252696 197968002 /nfs/dbraw/zinc/96/80/02/197968002.db2.gz WCDAZGHWGFDLCE-CQSZACIVSA-N 0 1 283.293 2.836 20 30 CFEDMN N#Cc1cc(NC(=O)c2cc(-c3ccoc3)n[nH]2)ccc1F ZINC000609109753 351485117 /nfs/dbraw/zinc/48/51/17/351485117.db2.gz WICIRIACCWVZIY-UHFFFAOYSA-N 0 1 296.261 2.933 20 30 CFEDMN Cc1cccc2c1ncc(C#N)c2N1CCN(C2CC2)CC1 ZINC000610210971 351540687 /nfs/dbraw/zinc/54/06/87/351540687.db2.gz JYNGRHNWHKXDMV-UHFFFAOYSA-N 0 1 292.386 2.699 20 30 CFEDMN CC(C)[C@@H](C#N)N1CCN(C[C@H](C)c2ccccc2)CC1 ZINC000609739048 351517603 /nfs/dbraw/zinc/51/76/03/351517603.db2.gz RGVVGPHPXOYYHO-FUHWJXTLSA-N 0 1 285.435 2.956 20 30 CFEDMN N#Cc1csc(CNc2cnn(-c3ccncc3)c2)c1 ZINC000610488685 351569748 /nfs/dbraw/zinc/56/97/48/351569748.db2.gz JYHNGFOOWRAAGD-UHFFFAOYSA-N 0 1 281.344 2.813 20 30 CFEDMN C[C@]1(c2ccccc2)C[C@H]1NC[C@@H](C#N)CCC#N ZINC000610342525 351555952 /nfs/dbraw/zinc/55/59/52/351555952.db2.gz FEXULPMAUDLWDJ-FVQBIDKESA-N 0 1 253.349 2.750 20 30 CFEDMN CCCCNC(=O)[C@H](C)N[C@H](C)c1cccc(C#N)c1 ZINC000610346014 351556850 /nfs/dbraw/zinc/55/68/50/351556850.db2.gz HOCMIUHSIPPSBH-OLZOCXBDSA-N 0 1 273.380 2.514 20 30 CFEDMN CCC[C@H](C)NC(=O)[C@@H](C)N[C@@H](C)c1cccc(C#N)c1 ZINC000610345871 351557239 /nfs/dbraw/zinc/55/72/39/351557239.db2.gz BBVXYQCAAPYFMG-MELADBBJSA-N 0 1 287.407 2.902 20 30 CFEDMN N#CCCN1CCN([C@@H]2CCCc3ccc(F)cc32)CC1 ZINC000611174303 351646536 /nfs/dbraw/zinc/64/65/36/351646536.db2.gz ZFIZLQFCVLVERQ-QGZVFWFLSA-N 0 1 287.382 2.734 20 30 CFEDMN N#CCCN(Cc1[nH]nc2ccccc21)Cc1cccnc1 ZINC000611250383 351656889 /nfs/dbraw/zinc/65/68/89/351656889.db2.gz CMRSWAIPGCNZSE-UHFFFAOYSA-N 0 1 291.358 2.874 20 30 CFEDMN CC(C)N(Cc1cn[nH]c1)Cc1ccc(C#N)cc1 ZINC000611254860 351659329 /nfs/dbraw/zinc/65/93/29/351659329.db2.gz MBGDIHJTSJPRCW-UHFFFAOYSA-N 0 1 254.337 2.692 20 30 CFEDMN COc1ccc([C@H](C)NCc2ccnc(C#N)c2)cc1F ZINC000611376757 351678041 /nfs/dbraw/zinc/67/80/41/351678041.db2.gz BOVYZBZTGYJQRQ-NSHDSACASA-N 0 1 285.322 2.952 20 30 CFEDMN COc1ccc([C@@H](C)NCc2ccnc(C#N)c2)cc1F ZINC000611376756 351678318 /nfs/dbraw/zinc/67/83/18/351678318.db2.gz BOVYZBZTGYJQRQ-LLVKDONJSA-N 0 1 285.322 2.952 20 30 CFEDMN C[C@H](NCC(=O)N1[C@H](C)CCC[C@H]1C)c1cccc(C#N)c1 ZINC000611388577 351679077 /nfs/dbraw/zinc/67/90/77/351679077.db2.gz KDAHIRXZWWKNED-KFWWJZLASA-N 0 1 299.418 2.998 20 30 CFEDMN C[C@H](NCC(=O)N[C@@H]1CCCC[C@@H]1C)c1cccc(C#N)c1 ZINC000611389237 351679268 /nfs/dbraw/zinc/67/92/68/351679268.db2.gz QVUCVAASWNLTJZ-GRDNDAEWSA-N 0 1 299.418 2.904 20 30 CFEDMN N#Cc1cc(CN[C@@H](CCCO)c2ccccc2)ccn1 ZINC000611396418 351682625 /nfs/dbraw/zinc/68/26/25/351682625.db2.gz KLJXJRNJENVROK-KRWDZBQOSA-N 0 1 281.359 2.557 20 30 CFEDMN CCCc1ccc(CN2CCN(CCC#N)CC2)cc1 ZINC000611501036 351698498 /nfs/dbraw/zinc/69/84/98/351698498.db2.gz SVKSAIDKNWGFEC-UHFFFAOYSA-N 0 1 271.408 2.670 20 30 CFEDMN C[C@@]1(C#N)CCCN(CCCCCn2cccn2)C1 ZINC000612165385 351783278 /nfs/dbraw/zinc/78/32/78/351783278.db2.gz KVCKSGPRWFXLKW-HNNXBMFYSA-N 0 1 260.385 2.679 20 30 CFEDMN CC[C@H](C)CCCCC(=O)NC1(C#N)CCN(C)CC1 ZINC000612052238 351765771 /nfs/dbraw/zinc/76/57/71/351765771.db2.gz HLQQANDIKQITSD-AWEZNQCLSA-N 0 1 279.428 2.697 20 30 CFEDMN C[C@]1(C#N)CCCN(C[C@H](O)CCc2ccccc2)C1 ZINC000612473105 351825454 /nfs/dbraw/zinc/82/54/54/351825454.db2.gz ILOBBJIXVCNRLB-IAGOWNOFSA-N 0 1 272.392 2.606 20 30 CFEDMN CC(C)(C#N)CNCc1cccc(-n2cccn2)c1 ZINC000612585565 351839564 /nfs/dbraw/zinc/83/95/64/351839564.db2.gz LQZWRFKNPNAYER-UHFFFAOYSA-N 0 1 254.337 2.512 20 30 CFEDMN CC[C@@H](CO)N(Cc1ccccc1)Cc1ccnc(C#N)c1 ZINC000613477517 351966292 /nfs/dbraw/zinc/96/62/92/351966292.db2.gz DSGQVAAFBZPUGZ-SFHVURJKSA-N 0 1 295.386 2.726 20 30 CFEDMN CC(C)c1nc([C@@H](C)NC2CCN(CC#N)CC2)cs1 ZINC000613597687 351984733 /nfs/dbraw/zinc/98/47/33/351984733.db2.gz FSOSKLZTTFHBHO-GFCCVEGCSA-N 0 1 292.452 2.905 20 30 CFEDMN C=CCC[C@@H](C(=O)N1CCC2(CN(C)C2)C1)c1ccccc1 ZINC000614037777 352040086 /nfs/dbraw/zinc/04/00/86/352040086.db2.gz GCKYMGLWSKMLPC-QGZVFWFLSA-N 0 1 298.430 2.901 20 30 CFEDMN Cc1ccc(NC(=O)c2cc(O)cc(C#N)c2)cc1[N+](=O)[O-] ZINC000614357300 352084043 /nfs/dbraw/zinc/08/40/43/352084043.db2.gz XKDCPBIOXAVNFK-UHFFFAOYSA-N 0 1 297.270 2.733 20 30 CFEDMN C[C@@H](NCc1ccc(C#N)cn1)c1ccc2c(c1)OCCO2 ZINC000615092240 352152902 /nfs/dbraw/zinc/15/29/02/352152902.db2.gz PPLMPUOTTWHELS-GFCCVEGCSA-N 0 1 295.342 2.575 20 30 CFEDMN C=C(C)C(C)(C)C(=O)NCc1ccc2nc[nH]c2c1 ZINC000615794217 352243487 /nfs/dbraw/zinc/24/34/87/352243487.db2.gz IVIYKLLZHVAGBB-UHFFFAOYSA-N 0 1 257.337 2.781 20 30 CFEDMN C#CCOc1ccccc1CN[C@@H](C)c1cnn(CC)c1 ZINC000271520812 191188662 /nfs/dbraw/zinc/18/86/62/191188662.db2.gz UTTNBOVEIMWRES-AWEZNQCLSA-N 0 1 283.375 2.766 20 30 CFEDMN C#CCOc1ccccc1CN[C@H](C)c1cnn(CC)c1 ZINC000271520813 191189222 /nfs/dbraw/zinc/18/92/22/191189222.db2.gz UTTNBOVEIMWRES-CQSZACIVSA-N 0 1 283.375 2.766 20 30 CFEDMN N#Cc1ccc(CN2CCC[C@@H](n3ccnc3)C2)cc1F ZINC000616752137 352427241 /nfs/dbraw/zinc/42/72/41/352427241.db2.gz DRLXBAAWRSFCKV-OAHLLOKOSA-N 0 1 284.338 2.731 20 30 CFEDMN C=CC[C@H]1CCCC[C@H]1NC(=O)CN(CC)C1CC1 ZINC000617039098 352474893 /nfs/dbraw/zinc/47/48/93/352474893.db2.gz CEIYYQJQTXKAKO-DZGCQCFKSA-N 0 1 264.413 2.722 20 30 CFEDMN C=CCCC(=O)N1CCCC[C@@H]1c1n[nH]c(C(C)C)n1 ZINC000292081291 198156250 /nfs/dbraw/zinc/15/62/50/198156250.db2.gz UESLGDWBLHMATN-GFCCVEGCSA-N 0 1 276.384 2.948 20 30 CFEDMN C[C@@H](c1cccnc1)N1CC[C@H](Oc2ccc(C#N)cn2)C1 ZINC000292063694 198149473 /nfs/dbraw/zinc/14/94/73/198149473.db2.gz CDUYPUSTMZSFTL-BBRMVZONSA-N 0 1 294.358 2.563 20 30 CFEDMN C=CC[C@@H]1CCCN(C(=O)c2cc(C(C)C)[nH]n2)C1 ZINC000617785857 352646248 /nfs/dbraw/zinc/64/62/48/352646248.db2.gz OUVCNDLENOVXIP-GFCCVEGCSA-N 0 1 261.369 2.961 20 30 CFEDMN CCn1cc(CN[C@H]2CCc3cc(C#N)ccc32)cn1 ZINC000618743078 352876007 /nfs/dbraw/zinc/87/60/07/352876007.db2.gz VXQKRBONDHLVRS-INIZCTEOSA-N 0 1 266.348 2.552 20 30 CFEDMN CCCn1cc(CN[C@@H]2CCc3cc(C#N)ccc32)cn1 ZINC000618742209 352876031 /nfs/dbraw/zinc/87/60/31/352876031.db2.gz UCQSAIQDNBRNIQ-QGZVFWFLSA-N 0 1 280.375 2.942 20 30 CFEDMN COc1cccc(CN[C@H]2CCc3cc(C#N)ccc32)n1 ZINC000618741980 352876136 /nfs/dbraw/zinc/87/61/36/352876136.db2.gz JJWICQVCTZIGHL-INIZCTEOSA-N 0 1 279.343 2.739 20 30 CFEDMN N#Cc1ccc2c(c1)CC[C@@H]2NCc1cncs1 ZINC000618741296 352876170 /nfs/dbraw/zinc/87/61/70/352876170.db2.gz DJRYEEAEPCMJQL-AWEZNQCLSA-N 0 1 255.346 2.792 20 30 CFEDMN COc1cccc(CN[C@@H]2CCc3cc(C#N)ccc32)n1 ZINC000618741983 352876175 /nfs/dbraw/zinc/87/61/75/352876175.db2.gz JJWICQVCTZIGHL-MRXNPFEDSA-N 0 1 279.343 2.739 20 30 CFEDMN C[C@H](N[C@@H]1CCc2cc(C#N)ccc21)c1cnccn1 ZINC000618804895 352883887 /nfs/dbraw/zinc/88/38/87/352883887.db2.gz MXJTUNPWCIGHPF-XHDPSFHLSA-N 0 1 264.332 2.686 20 30 CFEDMN Cc1cc(C#N)ccc1CN1C[C@@H](C)O[C@@H](C2CC2)C1 ZINC000619283089 352989659 /nfs/dbraw/zinc/98/96/59/352989659.db2.gz KUUNJKOVTCRZOM-CXAGYDPISA-N 0 1 270.376 2.866 20 30 CFEDMN C=CCC1(NC(=O)c2ccc3[nH]nnc3c2)CCCC1 ZINC000619113750 352957752 /nfs/dbraw/zinc/95/77/52/352957752.db2.gz GYCVOIIBGHZAEP-UHFFFAOYSA-N 0 1 270.336 2.577 20 30 CFEDMN N#Cc1ccc(CNCc2ccc(C(N)=O)cc2)cc1Cl ZINC000619748855 353063719 /nfs/dbraw/zinc/06/37/19/353063719.db2.gz QXBCCPQFIZGLEE-UHFFFAOYSA-N 0 1 299.761 2.600 20 30 CFEDMN C[C@@H](NCC(=O)NCc1cccc(C#N)c1)c1ccsc1 ZINC000619782527 353066623 /nfs/dbraw/zinc/06/66/23/353066623.db2.gz BPRDKIFMPSSFEC-GFCCVEGCSA-N 0 1 299.399 2.587 20 30 CFEDMN C=C1C[C@H]2CC[C@@H](C1)N2C(=O)c1ccc2cncn2c1 ZINC000620303282 353148761 /nfs/dbraw/zinc/14/87/61/353148761.db2.gz MXLCUVVKRVXAFW-OKILXGFUSA-N 0 1 267.332 2.658 20 30 CFEDMN C=C1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1CCCc2[nH]ncc21 ZINC000620306967 353149711 /nfs/dbraw/zinc/14/97/11/353149711.db2.gz UPWOPAZCZZMSGZ-FRRDWIJNSA-N 0 1 271.364 2.539 20 30 CFEDMN C=C(C)CN(CC)C(=O)[C@H]1C[C@H](C)Cc2c[nH]nc21 ZINC000623176062 353590881 /nfs/dbraw/zinc/59/08/81/353590881.db2.gz COKIAJFZWLNVKZ-YPMHNXCESA-N 0 1 261.369 2.500 20 30 CFEDMN C=C1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1C[C@@H](C)Cc2c[nH]nc21 ZINC000623225972 353596747 /nfs/dbraw/zinc/59/67/47/353596747.db2.gz ATMCQCOFGUSYIP-BSLXNSKLSA-N 0 1 285.391 2.785 20 30 CFEDMN C=CCCn1cc(CNCC(C)(C)c2ccc(C)cn2)nn1 ZINC000623648912 353694759 /nfs/dbraw/zinc/69/47/59/353694759.db2.gz CQXJOEFTMZFACO-UHFFFAOYSA-N 0 1 299.422 2.625 20 30 CFEDMN C=CCOCCCN=c1nc(-c2ccccc2C)[nH]s1 ZINC000624398249 353876046 /nfs/dbraw/zinc/87/60/46/353876046.db2.gz AAUZYYVLXPJNHG-UHFFFAOYSA-N 0 1 289.404 2.940 20 30 CFEDMN C=CC(C)(C)CCNC(=O)N1CCN(C)[C@@H](C(C)C)C1 ZINC000624463853 353886394 /nfs/dbraw/zinc/88/63/94/353886394.db2.gz AFQODUMUVZUBCO-CQSZACIVSA-N 0 1 281.444 2.570 20 30 CFEDMN C=CC(C)(C)CCNC(=O)N[C@H]1CCCc2cn[nH]c21 ZINC000624464951 353887205 /nfs/dbraw/zinc/88/72/05/353887205.db2.gz WTYLDABUFCWPFP-LBPRGKRZSA-N 0 1 276.384 2.689 20 30 CFEDMN C=CC[C@H]1CCN(Cc2cn(-c3ccccc3)nn2)C1 ZINC000625701841 354089404 /nfs/dbraw/zinc/08/94/04/354089404.db2.gz TWSFTSUHZMYOAG-AWEZNQCLSA-N 0 1 268.364 2.665 20 30 CFEDMN C=CC[C@@H]1CCN(Cc2nc(-c3ccco3)no2)C1 ZINC000625703032 354090431 /nfs/dbraw/zinc/09/04/31/354090431.db2.gz XNIWIILEMFRZRM-LLVKDONJSA-N 0 1 259.309 2.728 20 30 CFEDMN C=CCC(F)(F)C(=O)NCCc1nc2ccc(F)cc2[nH]1 ZINC000293355602 198611007 /nfs/dbraw/zinc/61/10/07/198611007.db2.gz GDWHLTAEGYUNFG-UHFFFAOYSA-N 0 1 297.280 2.572 20 30 CFEDMN C=CC[C@H](C(=O)N1CCc2nc[nH]c2C1)c1ccccc1 ZINC000627370802 354364227 /nfs/dbraw/zinc/36/42/27/354364227.db2.gz NAXVSPNCDXZRTR-AWEZNQCLSA-N 0 1 281.359 2.654 20 30 CFEDMN C=CC[C@H]1CCN(Cc2cn3cccc(F)c3n2)C1 ZINC000628405144 354579362 /nfs/dbraw/zinc/57/93/62/354579362.db2.gz FAFCBLQPBXRMNL-LBPRGKRZSA-N 0 1 259.328 2.871 20 30 CFEDMN C=CCOc1ccccc1C[N@H+]1CC[C@H](C(=O)[O-])[C@H](C)C1 ZINC000629772846 354927861 /nfs/dbraw/zinc/92/78/61/354927861.db2.gz YEKZPKCPAZAFQU-HIFRSBDPSA-N 0 1 289.375 2.794 20 30 CFEDMN C=C(C)CN(CC)C(=O)c1cc(-c2ccccc2O)[nH]n1 ZINC000629944832 354957308 /nfs/dbraw/zinc/95/73/08/354957308.db2.gz YSAQWCCBAYRDOZ-UHFFFAOYSA-N 0 1 285.347 2.821 20 30 CFEDMN C=CC[C@H]1CCCC[C@@H]1NC(=O)CN(C)C1CCC1 ZINC000630017751 354984949 /nfs/dbraw/zinc/98/49/49/354984949.db2.gz VOVWFCBZJSOVJF-ZFWWWQNUSA-N 0 1 264.413 2.722 20 30 CFEDMN N#Cc1cc(-c2nc(-c3ccc4[nH]cnc4c3)no2)ccn1 ZINC000346587953 283086206 /nfs/dbraw/zinc/08/62/06/283086206.db2.gz VKPNTPJXUBHQIW-UHFFFAOYSA-N 0 1 288.270 2.547 20 30 CFEDMN C[C@@H](N[C@@H](C)C(=O)NC(C)(C)C)c1ccc(C#N)c(F)c1 ZINC000271933635 191417678 /nfs/dbraw/zinc/41/76/78/191417678.db2.gz JHRVANLTLFGWBH-MNOVXSKESA-N 0 1 291.370 2.651 20 30 CFEDMN C=C(CC)CNCc1c(OC)cc(F)cc1OC ZINC000631153964 355319122 /nfs/dbraw/zinc/31/91/22/355319122.db2.gz OQVSLASGTVTEJE-UHFFFAOYSA-N 0 1 253.317 2.899 20 30 CFEDMN CN(Cc1cn2ccccc2c1C#N)C[C@@H]1CCCC[C@H]1O ZINC000272628615 191833249 /nfs/dbraw/zinc/83/32/49/191833249.db2.gz ZNDJUBHZJFBABJ-KBXCAEBGSA-N 0 1 297.402 2.794 20 30 CFEDMN C#CCCCN1CCc2c(ncn2-c2ccc(F)cc2)C1 ZINC000272684968 191865391 /nfs/dbraw/zinc/86/53/91/191865391.db2.gz BGTVLPSTVDSMGS-UHFFFAOYSA-N 0 1 283.350 2.783 20 30 CFEDMN C=C[C@H](CC(=O)NCc1n[nH]c(C(C)C)n1)c1ccccc1 ZINC000295755090 199649509 /nfs/dbraw/zinc/64/95/09/199649509.db2.gz OKQFEHUWAUUNNK-CYBMUJFWSA-N 0 1 298.390 2.904 20 30 CFEDMN C=CCCC(C)(C)CNC(=O)CCCCc1cn[nH]n1 ZINC000633965632 356045778 /nfs/dbraw/zinc/04/57/78/356045778.db2.gz XTOKCBISCSYHRZ-UHFFFAOYSA-N 0 1 278.400 2.626 20 30 CFEDMN N#Cc1ccc(CN[C@H]2C[C@H](CO)c3ccccc32)s1 ZINC000364983685 283148780 /nfs/dbraw/zinc/14/87/80/283148780.db2.gz BNHHJQIIQYPWTA-BZNIZROVSA-N 0 1 284.384 2.930 20 30 CFEDMN C=CC(C)(C)C(=O)N1CCCN(Cc2ccccc2)CC1 ZINC000294449635 199044669 /nfs/dbraw/zinc/04/46/69/199044669.db2.gz OWCJNROWSOQRPT-UHFFFAOYSA-N 0 1 286.419 2.933 20 30 CFEDMN CC(=O)c1ccc(C#N)c(NCc2n[nH]c(C(C)C)n2)c1 ZINC000294943364 199262960 /nfs/dbraw/zinc/26/29/60/199262960.db2.gz LMKWKXAJRWLIHM-UHFFFAOYSA-N 0 1 283.335 2.614 20 30 CFEDMN C=CC(C)(C)C(=O)N1CCC[C@H](c2n[nH]c(C3CC3)n2)C1 ZINC000297080568 200079561 /nfs/dbraw/zinc/07/95/61/200079561.db2.gz JUJTUKWMNDXRQH-LBPRGKRZSA-N 0 1 288.395 2.600 20 30 CFEDMN C=CCN(CC=C)C(=O)[C@@H](C)N[C@H](C)c1ccsc1 ZINC000669828415 540582974 /nfs/dbraw/zinc/58/29/74/540582974.db2.gz MKLFTTCAGDHQTR-CHWSQXEVSA-N 0 1 278.421 2.988 20 30 CFEDMN C=CCN(CC=C)C(=O)CN[C@@H](C)c1ccsc1 ZINC000669938117 540621548 /nfs/dbraw/zinc/62/15/48/540621548.db2.gz DCFJNORZUQUMRT-LBPRGKRZSA-N 0 1 264.394 2.599 20 30 CFEDMN C#CCCOc1ccc(CN2CC(C)(CCOC)C2)cc1 ZINC000297319403 200146270 /nfs/dbraw/zinc/14/62/70/200146270.db2.gz CYJCWVCWWCLXIS-UHFFFAOYSA-N 0 1 287.403 2.947 20 30 CFEDMN Cc1cc(N=c2s[nH]c(C)c2C#N)nn1[C@H](C)C1CC1 ZINC000329324418 202283068 /nfs/dbraw/zinc/28/30/68/202283068.db2.gz IAJUOHMGCDGPRZ-SNVBAGLBSA-N 0 1 287.392 2.965 20 30 CFEDMN C=CCNC(=O)[C@H](C)N(CCC)Cc1ccc(F)cc1 ZINC000298247553 200371191 /nfs/dbraw/zinc/37/11/91/200371191.db2.gz SXWPIZQBBHRVSN-ZDUSSCGKSA-N 0 1 278.371 2.728 20 30 CFEDMN C=CCNC(=O)[C@@H](C)N[C@H](CC)c1ccccc1OCC ZINC000179749620 189218403 /nfs/dbraw/zinc/21/84/03/189218403.db2.gz VJSIJTWBPJVOMJ-UKRRQHHQSA-N 0 1 290.407 2.817 20 30 CFEDMN C=CCNC(=O)CN[C@H](CC)c1ccccc1OC(F)F ZINC000179717991 189215735 /nfs/dbraw/zinc/21/57/35/189215735.db2.gz LYNTZDISSUABLF-GFCCVEGCSA-N 0 1 298.333 2.631 20 30 CFEDMN N#Cc1ccc(OCCN(Cc2cccnc2)C2CC2)cc1 ZINC000180283744 189248728 /nfs/dbraw/zinc/24/87/28/189248728.db2.gz TWSPHMOHMZIXOB-UHFFFAOYSA-N 0 1 293.370 2.997 20 30 CFEDMN N#Cc1ccc(CNC[C@H]2COC3(CCCCCC3)O2)o1 ZINC000181094575 189288361 /nfs/dbraw/zinc/28/83/61/189288361.db2.gz WYWKEJRWVVMYOC-HNNXBMFYSA-N 0 1 290.363 2.707 20 30 CFEDMN CC(C)Cn1cc(CNCc2cccc(C#N)c2)cn1 ZINC000181763194 189305925 /nfs/dbraw/zinc/30/59/25/189305925.db2.gz CTBQNTUQOMNKPR-UHFFFAOYSA-N 0 1 268.364 2.701 20 30 CFEDMN Cc1cc(C(C#N)C(=O)c2occ3c2CCC3)nc(C)n1 ZINC000671749109 541072214 /nfs/dbraw/zinc/07/22/14/541072214.db2.gz ACCBFTJLNQZLKC-CYBMUJFWSA-N 0 1 281.315 2.665 20 30 CFEDMN Cc1cc([C@@H](C#N)C(=O)c2occ3c2CCC3)nc(C)n1 ZINC000671749109 541072217 /nfs/dbraw/zinc/07/22/17/541072217.db2.gz ACCBFTJLNQZLKC-CYBMUJFWSA-N 0 1 281.315 2.665 20 30 CFEDMN Cc1cccc2nc(CNc3cccc(C#N)n3)[nH]c21 ZINC000301888776 201249843 /nfs/dbraw/zinc/24/98/43/201249843.db2.gz NEUJJQXATUSLLQ-UHFFFAOYSA-N 0 1 263.304 2.750 20 30 CFEDMN N#Cc1ccc(CN2CCC[C@H]2CCO)c(OC(F)F)c1 ZINC000426258469 239184488 /nfs/dbraw/zinc/18/44/88/239184488.db2.gz YOMICAIFZZMYPK-ZDUSSCGKSA-N 0 1 296.317 2.506 20 30 CFEDMN CCOc1ccccc1CNCc1cc(C#N)n(C)c1 ZINC000190849251 189575811 /nfs/dbraw/zinc/57/58/11/189575811.db2.gz NAUXMOGGONFANH-UHFFFAOYSA-N 0 1 269.348 2.585 20 30 CFEDMN CCc1ncsc1NC(=O)c1ccc(C#N)c(O)c1 ZINC000442672737 240978127 /nfs/dbraw/zinc/97/81/27/240978127.db2.gz PAGAKDZJXHGUEX-UHFFFAOYSA-N 0 1 273.317 2.535 20 30 CFEDMN Cc1cc(CN[C@H](C)c2n[nH]c(C(C)C)n2)ccc1C#N ZINC000444000387 241107027 /nfs/dbraw/zinc/10/70/27/241107027.db2.gz WHTFZWFHMORJLP-GFCCVEGCSA-N 0 1 283.379 2.959 20 30 CFEDMN Cc1cc(CNCc2ccc(F)cn2)ccc1C#N ZINC000444003023 241107362 /nfs/dbraw/zinc/10/73/62/241107362.db2.gz RBQGHWYVTNWIKF-UHFFFAOYSA-N 0 1 255.296 2.691 20 30 CFEDMN C=CC1CCN(C(=O)c2c(C)n[nH]c2C(F)(F)F)CC1 ZINC000673740460 541510623 /nfs/dbraw/zinc/51/06/23/541510623.db2.gz GHRHATWLZWGUAU-UHFFFAOYSA-N 0 1 287.285 2.775 20 30 CFEDMN CN(CC#Cc1ccc(C(F)(F)F)cc1)C[C@H](O)C1CC1 ZINC000674314576 541558279 /nfs/dbraw/zinc/55/82/79/541558279.db2.gz IFSNRCLWFQBKJJ-HNNXBMFYSA-N 0 1 297.320 2.760 20 30 CFEDMN C=C[C@@H](C)NC(=O)NC[C@H](c1ccc(Cl)cc1)N(C)C ZINC000674933628 541609300 /nfs/dbraw/zinc/60/93/00/541609300.db2.gz DLTIHXYSMWJWCI-BXUZGUMPSA-N 0 1 295.814 2.816 20 30 CFEDMN COc1cc(CN[C@H](C)c2cncnc2C)ccc1C#N ZINC000571296927 383681815 /nfs/dbraw/zinc/68/18/15/383681815.db2.gz CXDXNQONABMTOP-LLVKDONJSA-N 0 1 282.347 2.516 20 30 CFEDMN CCN(CC)[C@H](CNC(=O)CC#N)c1ccccc1Cl ZINC000153528693 261080032 /nfs/dbraw/zinc/08/00/32/261080032.db2.gz DLXWHRPNTQHKHO-CQSZACIVSA-N 0 1 293.798 2.753 20 30 CFEDMN C=CC1CCN(Cc2cnnn2-c2ccccc2)CC1 ZINC000676137698 541729635 /nfs/dbraw/zinc/72/96/35/541729635.db2.gz VYZYUHNWZVCOJL-UHFFFAOYSA-N 0 1 268.364 2.665 20 30 CFEDMN CCC[C@H](C(=O)Nc1cc(C)cc(C#N)c1)N(C)C ZINC000456971810 244341111 /nfs/dbraw/zinc/34/11/11/244341111.db2.gz UJNPXYYMDNZJPO-CQSZACIVSA-N 0 1 259.353 2.536 20 30 CFEDMN CC[C@@]1(C)CCCN(CC(=O)NCc2cccc(C#N)c2)C1 ZINC000330925085 203394881 /nfs/dbraw/zinc/39/48/81/203394881.db2.gz GMZVWGXDLGXMFG-SFHVURJKSA-N 0 1 299.418 2.687 20 30 CFEDMN C=CCCN(C)C(=O)NC[C@H](c1cccs1)N(C)C ZINC000276293457 193275157 /nfs/dbraw/zinc/27/51/57/193275157.db2.gz KCYPPOHOMHQRAG-GFCCVEGCSA-N 0 1 281.425 2.568 20 30 CFEDMN C=CCCN(C)CC(=O)Nc1ccc(N2CCCC2)cc1 ZINC000276336635 193291861 /nfs/dbraw/zinc/29/18/61/193291861.db2.gz BVZHLLYZFXEJFY-UHFFFAOYSA-N 0 1 287.407 2.733 20 30 CFEDMN C=CCCN(C)[C@H](C)C(=O)Nc1ccc(OC)cc1 ZINC000276399897 193316251 /nfs/dbraw/zinc/31/62/51/193316251.db2.gz KLCGHXCHNAEYCD-GFCCVEGCSA-N 0 1 262.353 2.530 20 30 CFEDMN C=CCCN(C)CC(=O)Nc1ccc(OC)c(Cl)c1 ZINC000276427528 193326034 /nfs/dbraw/zinc/32/60/34/193326034.db2.gz NCIOTVAMHFSJBV-UHFFFAOYSA-N 0 1 282.771 2.795 20 30 CFEDMN C#CCC1(C(=O)N[C@H](C)c2n[nH]c(CC)n2)CCCCC1 ZINC000276441885 193332615 /nfs/dbraw/zinc/33/26/15/193332615.db2.gz HSHOWAJNXLLBOG-GFCCVEGCSA-N 0 1 288.395 2.518 20 30 CFEDMN C[C@H](NCc1cc(=O)[nH]c(C2CC2)n1)c1ccc(C#N)cc1 ZINC000459394691 245163513 /nfs/dbraw/zinc/16/35/13/245163513.db2.gz OKNQEFYLDPBOCJ-NSHDSACASA-N 0 1 294.358 2.782 20 30 CFEDMN C=C(C)CN(CC)[C@H](C)C(=O)N[C@H]1CCCC[C@H]1C ZINC000249510753 261251565 /nfs/dbraw/zinc/25/15/65/261251565.db2.gz PJWVWQCZZQXZLM-KFWWJZLASA-N 0 1 266.429 2.968 20 30 CFEDMN N#Cc1csc(-c2nc(C3(N)CCCCC3)no2)c1 ZINC000331639915 204035066 /nfs/dbraw/zinc/03/50/66/204035066.db2.gz XBRNCSFDKHBQOL-UHFFFAOYSA-N 0 1 274.349 2.788 20 30 CFEDMN O=C(N[C@H]1CCCCNC1=O)c1cc2[nH]cnc2cc1F ZINC000329213833 227356666 /nfs/dbraw/zinc/35/66/66/227356666.db2.gz KCKIUUSZBJJHDE-JTQLQIEISA-N 0 1 290.298 2.516 20 30 CFEDMN C=C(C)[C@@H](CO)N(CCC)CC(=O)Nc1ccccc1C ZINC000677477154 541864024 /nfs/dbraw/zinc/86/40/24/541864024.db2.gz SGWMGJONKXMHEK-MRXNPFEDSA-N 0 1 290.407 2.583 20 30 CFEDMN C[C@@H]1CCC[C@H](C)N1CC(=O)Nc1cccc(C#N)c1 ZINC000019846939 372199239 /nfs/dbraw/zinc/19/92/39/372199239.db2.gz VHSFQIRUGAZTKP-BETUJISGSA-N 0 1 271.364 2.760 20 30 CFEDMN CCOc1ccc(OCCN2CCC(C#N)CC2)cc1 ZINC000032121006 372431358 /nfs/dbraw/zinc/43/13/58/372431358.db2.gz HGMVGRYZTKMXCI-UHFFFAOYSA-N 0 1 274.364 2.700 20 30 CFEDMN COc1ncccc1CN[C@@H](C)c1ccc(C#N)cc1 ZINC000037650451 372686339 /nfs/dbraw/zinc/68/63/39/372686339.db2.gz GAZJIYSHZHVZHJ-LBPRGKRZSA-N 0 1 267.332 2.813 20 30 CFEDMN CN(CCCCC#N)CC(=O)Nc1cccc(Cl)c1 ZINC000263767511 383687268 /nfs/dbraw/zinc/68/72/68/383687268.db2.gz BYKZCSCMLSBBQN-UHFFFAOYSA-N 0 1 279.771 2.904 20 30 CFEDMN N#Cc1cc(F)ccc1CN1CC[C@@H]2C[C@H](O)CC[C@@H]2C1 ZINC000451708445 383687844 /nfs/dbraw/zinc/68/78/44/383687844.db2.gz NXOMVXRXGFEGDR-PBFPGSCMSA-N 0 1 288.366 2.680 20 30 CFEDMN CCN(Cc1ccc(C#N)cc1F)C[C@@H]1CCCO1 ZINC000047725861 373115707 /nfs/dbraw/zinc/11/57/07/373115707.db2.gz JNLBTSGNTNWTIO-AWEZNQCLSA-N 0 1 262.328 2.698 20 30 CFEDMN C[C@@H]1CCCN(CC(=O)Nc2ccc(C#N)cc2)[C@@H]1C ZINC000050564742 373382404 /nfs/dbraw/zinc/38/24/04/373382404.db2.gz ZVFUQSDHWLMOGO-CHWSQXEVSA-N 0 1 271.364 2.617 20 30 CFEDMN C=C[C@@H](CO)N[C@H](C)c1ccc(Br)cc1F ZINC000289655334 197435317 /nfs/dbraw/zinc/43/53/17/197435317.db2.gz GLWQEUFUXBZTBH-SCZZXKLOSA-N 0 1 288.160 2.786 20 30 CFEDMN C=CCNC(=O)[C@H](C)N(C)Cc1cccc2ccccc21 ZINC000053017333 373460798 /nfs/dbraw/zinc/46/07/98/373460798.db2.gz JTIXWZDMRYTESK-AWEZNQCLSA-N 0 1 282.387 2.962 20 30 CFEDMN Cc1ccsc1C(=O)Nc1nc(-c2ccccn2)n[nH]1 ZINC000053524510 373480201 /nfs/dbraw/zinc/48/02/01/373480201.db2.gz LOHGWSMWMAVMJK-UHFFFAOYSA-N 0 1 285.332 2.873 20 30 CFEDMN CC(C)CCN(CCC#N)C(=O)c1cccc2n[nH]cc21 ZINC000264018886 383691805 /nfs/dbraw/zinc/69/18/05/383691805.db2.gz FNBUMRDDXNVWHW-UHFFFAOYSA-N 0 1 284.363 2.965 20 30 CFEDMN Cc1cc(CNCc2cnc3ccc(C#N)cn23)ccc1F ZINC000123205723 220211246 /nfs/dbraw/zinc/21/12/46/220211246.db2.gz OMUMPMPFWZZWMQ-UHFFFAOYSA-N 0 1 294.333 2.943 20 30 CFEDMN C[C@@H]1C[C@H](C)CN(CC(=O)N(CCC#N)c2ccccc2)C1 ZINC000058874668 373671872 /nfs/dbraw/zinc/67/18/72/373671872.db2.gz FBJBEQRAZOJYPA-IYBDPMFKSA-N 0 1 299.418 2.911 20 30 CFEDMN CN(C(=O)c1cc(-c2ccco2)n[nH]1)c1cccc(C#N)c1 ZINC000063830844 373815224 /nfs/dbraw/zinc/81/52/24/373815224.db2.gz FSCHSDXXHUFDOI-UHFFFAOYSA-N 0 1 292.298 2.818 20 30 CFEDMN COCC1CCN(Cc2cc(C#N)ccc2F)CC1 ZINC000069704141 374088003 /nfs/dbraw/zinc/08/80/03/374088003.db2.gz PSLPLIIFGIWANC-UHFFFAOYSA-N 0 1 262.328 2.556 20 30 CFEDMN COCC#CCN1CC[C@@H](C)[C@H]1c1cccc(F)c1 ZINC000677820386 541910961 /nfs/dbraw/zinc/91/09/61/541910961.db2.gz LXDLFDDMEPAVAK-CJNGLKHVSA-N 0 1 261.340 2.858 20 30 CFEDMN CCN(CC(=O)N(CC)CCC#N)Cc1ccccc1C ZINC000076946286 374558948 /nfs/dbraw/zinc/55/89/48/374558948.db2.gz NSFRVPJGWKYNMR-UHFFFAOYSA-N 0 1 287.407 2.579 20 30 CFEDMN Cc1csc(C(C#N)C(=O)c2cccc3c2OCO3)n1 ZINC000077429265 374561578 /nfs/dbraw/zinc/56/15/78/374561578.db2.gz MJHRMOPAVYGCAO-JTQLQIEISA-N 0 1 286.312 2.670 20 30 CFEDMN Cc1csc([C@@H](C#N)C(=O)c2cccc3c2OCO3)n1 ZINC000077429265 374561582 /nfs/dbraw/zinc/56/15/82/374561582.db2.gz MJHRMOPAVYGCAO-JTQLQIEISA-N 0 1 286.312 2.670 20 30 CFEDMN CC(C)(C#N)CCCN1CCN(c2nccs2)CC1 ZINC000087608414 374826550 /nfs/dbraw/zinc/82/65/50/374826550.db2.gz RJCFGBMHWINHDA-UHFFFAOYSA-N 0 1 278.425 2.595 20 30 CFEDMN CCN(CCOc1ccc(C#N)cc1)Cc1ccccn1 ZINC000094679551 375373060 /nfs/dbraw/zinc/37/30/60/375373060.db2.gz BVPMESVTWMUDLK-UHFFFAOYSA-N 0 1 281.359 2.854 20 30 CFEDMN C=C(CC)CNc1nc(C(F)(F)F)nc2[nH]cnc21 ZINC000574639712 335036230 /nfs/dbraw/zinc/03/62/30/335036230.db2.gz UNUCKBVLZHHXKJ-UHFFFAOYSA-N 0 1 271.246 2.701 20 30 CFEDMN C=C(C)[C@@H](CO)N[C@@H](C)c1ccccc1OC(F)F ZINC000678737068 542062826 /nfs/dbraw/zinc/06/28/26/542062826.db2.gz JPKGEAMRUGIGAD-CMPLNLGQSA-N 0 1 271.307 2.876 20 30 CFEDMN C=C(C)[C@H](CO)N[C@H](C)c1ccccc1OC(F)F ZINC000678737071 542063239 /nfs/dbraw/zinc/06/32/39/542063239.db2.gz JPKGEAMRUGIGAD-PWSUYJOCSA-N 0 1 271.307 2.876 20 30 CFEDMN CC[C@@H](NCC#CCOC)c1cc(F)ccc1F ZINC000678782009 542069539 /nfs/dbraw/zinc/06/95/39/542069539.db2.gz FUAXIUILGYKDBB-CQSZACIVSA-N 0 1 253.292 2.655 20 30 CFEDMN CCN(Cc1ccc(C#N)cc1)Cc1ccccn1 ZINC000112830322 375969289 /nfs/dbraw/zinc/96/92/89/375969289.db2.gz GBWOUXHDAOSIOT-UHFFFAOYSA-N 0 1 251.333 2.975 20 30 CFEDMN C=CC[C@H](C)NC(=O)NCc1ccc(F)c(CN(C)C)c1 ZINC000116960264 376217871 /nfs/dbraw/zinc/21/78/71/376217871.db2.gz ZDSAPAZCBWXJRE-LBPRGKRZSA-N 0 1 293.386 2.651 20 30 CFEDMN Cn1ncc2c1CCC[C@H]2[N@@H+](C)CCC(C)(C)C#N ZINC000120004544 376524185 /nfs/dbraw/zinc/52/41/85/376524185.db2.gz ARBKJSGPSVDUID-CYBMUJFWSA-N 0 1 260.385 2.669 20 30 CFEDMN CN(CCC(C)(C)C#N)[C@@H]1CCCc2c1cnn2C ZINC000120004544 376524189 /nfs/dbraw/zinc/52/41/89/376524189.db2.gz ARBKJSGPSVDUID-CYBMUJFWSA-N 0 1 260.385 2.669 20 30 CFEDMN C=CCN1CCC(Nc2nc3ccccc3o2)CC1 ZINC000264413624 190108259 /nfs/dbraw/zinc/10/82/59/190108259.db2.gz HAFLNPXGAGSJSL-UHFFFAOYSA-N 0 1 257.337 2.890 20 30 CFEDMN C[C@H]1CN(Cc2ccc(C#N)s2)C[C@H](C)S1 ZINC000120520081 376631156 /nfs/dbraw/zinc/63/11/56/376631156.db2.gz SVNMZZKXUZNRJV-UWVGGRQHSA-N 0 1 252.408 2.946 20 30 CFEDMN C=CCNC(=O)CN[C@@H](C)c1cccc(C(F)(F)F)c1 ZINC000120585771 376646579 /nfs/dbraw/zinc/64/65/79/376646579.db2.gz BVBWCMGSGZOMJP-JTQLQIEISA-N 0 1 286.297 2.658 20 30 CFEDMN C=C1CCN(C(=O)c2cc(-c3cccs3)[nH]n2)CC1 ZINC000264488679 190113592 /nfs/dbraw/zinc/11/35/92/190113592.db2.gz NJFDMEWRQPHEBL-UHFFFAOYSA-N 0 1 273.361 2.930 20 30 CFEDMN C=CCN(C)[C@H](C)C(=O)N[C@H](C)c1ccccc1C ZINC000121320058 376805587 /nfs/dbraw/zinc/80/55/87/376805587.db2.gz LMCUMJWILSMIIC-ZIAGYGMSSA-N 0 1 260.381 2.679 20 30 CFEDMN COC(=O)c1cc(-c2nc3ccc(C#N)cc3[nH]2)oc1C ZINC000123822178 376982687 /nfs/dbraw/zinc/98/26/87/376982687.db2.gz NYJQVZBPRZWJJB-UHFFFAOYSA-N 0 1 281.271 2.790 20 30 CFEDMN C=C(Cl)C[N@@H+](C)C1CCN(c2cc(C)[nH+]c(C)n2)CC1 ZINC000125312203 377139692 /nfs/dbraw/zinc/13/96/92/377139692.db2.gz SUNVTTABWLYIKV-UHFFFAOYSA-N 0 1 294.830 2.747 20 30 CFEDMN C=C(C)CN(CC)[C@H](C)C(=O)Nc1oc(C)c(C)c1C#N ZINC000125930258 377201481 /nfs/dbraw/zinc/20/14/81/377201481.db2.gz RUMOQTWUIMACEW-GFCCVEGCSA-N 0 1 289.379 2.993 20 30 CFEDMN N#CCCCOc1cccc(CN2CCN(C3CC3)CC2)c1 ZINC000127903788 377307301 /nfs/dbraw/zinc/30/73/01/377307301.db2.gz JWCCVFCSGIUVHE-UHFFFAOYSA-N 0 1 299.418 2.649 20 30 CFEDMN C=CCC[C@@H](O)CNC(C)(C)c1nc(C)cs1 ZINC000129281865 377407077 /nfs/dbraw/zinc/40/70/77/377407077.db2.gz UUYZKXFXEKCKAA-LLVKDONJSA-N 0 1 254.399 2.603 20 30 CFEDMN C=CCOCCNC(=O)c1c(O)cc(Cl)cc1Cl ZINC000679588094 542213104 /nfs/dbraw/zinc/21/31/04/542213104.db2.gz MJHCDAZIAFABGS-UHFFFAOYSA-N 0 1 290.146 2.631 20 30 CFEDMN C=CCCN1CCN(C(=O)CCCc2ccccc2)CC1 ZINC000132678896 377865747 /nfs/dbraw/zinc/86/57/47/377865747.db2.gz ZASZJOJUSSODJC-UHFFFAOYSA-N 0 1 286.419 2.730 20 30 CFEDMN C=CCCN1CCN(C(=O)c2cc3ccccc3[nH]2)CC1 ZINC000132721078 377870360 /nfs/dbraw/zinc/87/03/60/377870360.db2.gz VGSSGFCRMKYLIP-UHFFFAOYSA-N 0 1 283.375 2.502 20 30 CFEDMN C=CCCN1CCN(C(=O)CCC2CCCC2)CC1 ZINC000132472342 377844921 /nfs/dbraw/zinc/84/49/21/377844921.db2.gz YINSMBFBRPKFSG-UHFFFAOYSA-N 0 1 264.413 2.677 20 30 CFEDMN Cc1cc(C[C@@H](C)Nc2ncc(C#N)cc2Cl)[nH]n1 ZINC000133534753 377938374 /nfs/dbraw/zinc/93/83/74/377938374.db2.gz ZWHITSDQLJPLHF-MRVPVSSYSA-N 0 1 275.743 2.681 20 30 CFEDMN C[C@H](N[C@@H](C)c1cccc(C#N)c1)C(=O)NC(C)(C)C ZINC000134804501 378049821 /nfs/dbraw/zinc/04/98/21/378049821.db2.gz YMOBQNCBZYVVJD-RYUDHWBXSA-N 0 1 273.380 2.512 20 30 CFEDMN CC[C@@H]1CN(Cc2ccc(OC)c(C#N)c2)CCS1 ZINC000135110843 378085125 /nfs/dbraw/zinc/08/51/25/378085125.db2.gz VXLXAGAOMNNBPI-CQSZACIVSA-N 0 1 276.405 2.894 20 30 CFEDMN CC[C@H](CC#N)NCc1cc(Br)ccc1O ZINC000135041516 378078321 /nfs/dbraw/zinc/07/83/21/378078321.db2.gz KXTWIZRVIRQHRY-LLVKDONJSA-N 0 1 283.169 2.937 20 30 CFEDMN C=C[C@@](C)(CC)C(=O)NCc1nc2ccc(F)cc2[nH]1 ZINC000135088041 378081179 /nfs/dbraw/zinc/08/11/79/378081179.db2.gz CEHNPWSIGGFGOJ-HNNXBMFYSA-N 0 1 275.327 2.921 20 30 CFEDMN Cc1c([C@H](C)NCc2ccc(C#N)s2)cnn1C ZINC000135679132 378156171 /nfs/dbraw/zinc/15/61/71/378156171.db2.gz DVEUMRUHWHDUQD-VIFPVBQESA-N 0 1 260.366 2.513 20 30 CFEDMN C[C@H](C#N)Sc1nc(-c2cc(F)cc(F)c2)n[nH]1 ZINC000151121973 378297961 /nfs/dbraw/zinc/29/79/61/378297961.db2.gz JZPKNSFEDABPDD-ZCFIWIBFSA-N 0 1 266.276 2.754 20 30 CFEDMN CCC[C@@H]1C[C@H](C(=O)N[C@@H]2CCc3nc[nH]c3C2)CCO1 ZINC000329321823 378453568 /nfs/dbraw/zinc/45/35/68/378453568.db2.gz JIQMGZCYVRIJHN-JHJVBQTASA-N 0 1 291.395 2.819 20 30 CFEDMN O=C(NC1(c2nnc[nH]2)CCC1)[C@@H]1CC12CCCC2 ZINC000329334533 378455260 /nfs/dbraw/zinc/45/52/60/378455260.db2.gz KTORRFNSHOAHKB-JTQLQIEISA-N 0 1 260.341 2.721 20 30 CFEDMN C[C@H](C(=O)N[C@@H]1CCCc2cn[nH]c21)C1CCOCC1 ZINC000328868615 378433925 /nfs/dbraw/zinc/43/39/25/378433925.db2.gz OVQQEKMWKKXJSR-GXFFZTMASA-N 0 1 277.368 2.806 20 30 CFEDMN C[C@@H]1C[C@H](C(=O)Nc2ccc3[nH]nnc3c2)CCC1=O ZINC000328928778 378441040 /nfs/dbraw/zinc/44/10/40/378441040.db2.gz GTFHCVRZRKHJJE-RKDXNWHRSA-N 0 1 272.308 2.551 20 30 CFEDMN C=CCOc1ccccc1C(=O)Nc1ccc2[nH]nnc2c1 ZINC000153392992 378489455 /nfs/dbraw/zinc/48/94/55/378489455.db2.gz CCOHVLQOLQEOMY-UHFFFAOYSA-N 0 1 294.314 2.775 20 30 CFEDMN C[C@@H]1CCC[C@H](CNC(=O)N[C@H]2CCc3nc[nH]c3C2)C1 ZINC000329737130 378489431 /nfs/dbraw/zinc/48/94/31/378489431.db2.gz SWFTYVDLVMQRJP-AGIUHOORSA-N 0 1 290.411 2.597 20 30 CFEDMN C#CCN(CC(=O)N[C@@H](C)c1cccs1)C1CCCC1 ZINC000155785256 378632452 /nfs/dbraw/zinc/63/24/52/378632452.db2.gz LFJMEAWFECDGSD-ZDUSSCGKSA-N 0 1 290.432 2.803 20 30 CFEDMN N#Cc1ccc(N2CCC[C@H](N3CCCCC3)C2=O)cc1 ZINC000156159642 378637219 /nfs/dbraw/zinc/63/72/19/378637219.db2.gz FRMBGPFBFZHXMJ-INIZCTEOSA-N 0 1 283.375 2.540 20 30 CFEDMN CC(C)[C@@H]1CCCC[C@H]1NC([O-])=[NH+][C@H](C)Cn1cccn1 ZINC000330598899 378589833 /nfs/dbraw/zinc/58/98/33/378589833.db2.gz XDVFIRJIJLBGDQ-QLFBSQMISA-N 0 1 292.427 2.990 20 30 CFEDMN CC(C)[C@@H]1CCCC[C@H]1[NH+]=C([O-])N[C@H](C)Cn1cccn1 ZINC000330598899 378589839 /nfs/dbraw/zinc/58/98/39/378589839.db2.gz XDVFIRJIJLBGDQ-QLFBSQMISA-N 0 1 292.427 2.990 20 30 CFEDMN CCN(CCC(=O)Nc1cccc(F)c1)C[C@@H](C)C#N ZINC000157654497 378657270 /nfs/dbraw/zinc/65/72/70/378657270.db2.gz CSYKRPRMDUYXHT-LBPRGKRZSA-N 0 1 277.343 2.636 20 30 CFEDMN CC(C)C1CCN(CC(=O)NCc2cccc(C#N)c2)CC1 ZINC000331271015 378661137 /nfs/dbraw/zinc/66/11/37/378661137.db2.gz MWJSRQJUPLZFKG-UHFFFAOYSA-N 0 1 299.418 2.542 20 30 CFEDMN CCCCCCCN1CCC[C@H]1c1nncn1C ZINC000157112645 378649336 /nfs/dbraw/zinc/64/93/36/378649336.db2.gz WPZTUOCBLFAMJL-ZDUSSCGKSA-N 0 1 250.390 2.922 20 30 CFEDMN CC#CCN[C@@H](C)c1c(C)nn(CC(F)(F)F)c1C ZINC000159727558 378727694 /nfs/dbraw/zinc/72/76/94/378727694.db2.gz JYYFEDXCSLVWNT-VIFPVBQESA-N 0 1 273.302 2.736 20 30 CFEDMN CC1(C)CC[C@@H]1N[C@H](C(N)=O)c1ccc(C#N)cc1 ZINC000332450581 378765243 /nfs/dbraw/zinc/76/52/43/378765243.db2.gz MGIQLBWBLNCJCU-STQMWFEESA-N 0 1 257.337 2.913 20 30 CFEDMN CN(C)[C@H](CNc1nc(Cl)c(C#N)s1)c1ccco1 ZINC000278483481 194005646 /nfs/dbraw/zinc/00/56/46/194005646.db2.gz FZAPDFBOWOQKPV-MRVPVSSYSA-N 0 1 296.783 2.976 20 30 CFEDMN C#CCCCCNC(=O)c1ccc(O)c(Cl)c1 ZINC000163146852 378957579 /nfs/dbraw/zinc/95/75/79/378957579.db2.gz YGCIBFUZQQADDK-UHFFFAOYSA-N 0 1 251.713 2.579 20 30 CFEDMN Cc1ccc(Cl)c(NS(=O)(=O)c2ccc(C#N)o2)c1 ZINC000335312778 379065662 /nfs/dbraw/zinc/06/56/62/379065662.db2.gz WVSPBVRPULMPMV-UHFFFAOYSA-N 0 1 296.735 2.914 20 30 CFEDMN C=CCN1CCC(Nc2snc(Cl)c2C#N)CC1 ZINC000266449597 190258621 /nfs/dbraw/zinc/25/86/21/190258621.db2.gz XCXSMVLWNZSLTD-UHFFFAOYSA-N 0 1 282.800 2.730 20 30 CFEDMN C=CCSCCNC(=O)[C@H](c1ccccc1)N(C)CC ZINC000171480559 379319022 /nfs/dbraw/zinc/31/90/22/379319022.db2.gz BWDRECODRUAULT-HNNXBMFYSA-N 0 1 292.448 2.715 20 30 CFEDMN CC(C)(C#N)c1ccc(NS(=O)(=O)c2ccoc2)cc1 ZINC000334455914 379330010 /nfs/dbraw/zinc/33/00/10/379330010.db2.gz XEQRDYVZBOWSDW-UHFFFAOYSA-N 0 1 290.344 2.882 20 30 CFEDMN C=C(C)CN(CC)CC(=O)N[C@H](C)c1ccc(F)cc1 ZINC000048617368 412911739 /nfs/dbraw/zinc/91/17/39/412911739.db2.gz GMYUZERWHKGPPA-CYBMUJFWSA-N 0 1 278.371 2.901 20 30 CFEDMN CC(C)n1cc(C#N)c(=NC(=O)[C@@H]2CCCCC2(F)F)[nH]1 ZINC000334514564 379433415 /nfs/dbraw/zinc/43/34/15/379433415.db2.gz ZRJKSOIKQLONOS-NSHDSACASA-N 0 1 296.321 2.522 20 30 CFEDMN C[C@@H]1C[N@@H+](CCC2(C#N)CCCCC2)CCCO1 ZINC000334557683 379522904 /nfs/dbraw/zinc/52/29/04/379522904.db2.gz ORUZQDCNINKJOL-CQSZACIVSA-N 0 1 250.386 2.961 20 30 CFEDMN C[C@H]1C[N@@H+](CCC2(C#N)CCCCC2)CCCO1 ZINC000334557681 379523620 /nfs/dbraw/zinc/52/36/20/379523620.db2.gz ORUZQDCNINKJOL-AWEZNQCLSA-N 0 1 250.386 2.961 20 30 CFEDMN C#CCN1CCC(C(=O)O[C@@H](C)c2cccc(C)c2)CC1 ZINC000172430651 379567672 /nfs/dbraw/zinc/56/76/72/379567672.db2.gz CLLAUGQABBPXNL-HNNXBMFYSA-N 0 1 285.387 2.944 20 30 CFEDMN Cc1cc(C#N)cc(NC(=O)N[C@@H](C)C2=CC[N@@H+](C)CC2)c1 ZINC000334730623 379839274 /nfs/dbraw/zinc/83/92/74/379839274.db2.gz KKCHPSXKCWIVII-ZDUSSCGKSA-N 0 1 298.390 2.639 20 30 CFEDMN Cc1cc(CN[C@H]2c3ccccc3C[C@@H]2O)ccc1C#N ZINC000334766188 379910859 /nfs/dbraw/zinc/91/08/59/379910859.db2.gz XNIITAOVLRWZCT-ROUUACIJSA-N 0 1 278.355 2.615 20 30 CFEDMN COc1cc(CNCc2ccc(C#N)o2)c2ccccc2n1 ZINC000174582434 379914419 /nfs/dbraw/zinc/91/44/19/379914419.db2.gz UEWQFIMSEIUXKC-UHFFFAOYSA-N 0 1 293.326 2.998 20 30 CFEDMN N#CC1(CN2CC3(CCC3)[C@@H]2C2CCOCC2)CC1 ZINC000335121935 379976392 /nfs/dbraw/zinc/97/63/92/379976392.db2.gz YFUKDTFHRMBANH-AWEZNQCLSA-N 0 1 260.381 2.571 20 30 CFEDMN N#Cc1ccc(F)cc1CN1CC[C@@H]([C@@H]2CCOC2)C1 ZINC000335855520 380000832 /nfs/dbraw/zinc/00/08/32/380000832.db2.gz GMKHXAKXFFXQHB-ZIAGYGMSSA-N 0 1 274.339 2.556 20 30 CFEDMN C[C@@H](c1ccc([S@](C)=O)cc1)N(C)CCCC#N ZINC000175395094 380057889 /nfs/dbraw/zinc/05/78/89/380057889.db2.gz BTICISYNDVHHPQ-SGTLLEGYSA-N 0 1 264.394 2.721 20 30 CFEDMN CN(C)Cc1ccsc1C(=O)NCc1cccc(C#N)c1 ZINC000268046444 190372269 /nfs/dbraw/zinc/37/22/69/190372269.db2.gz SAGDZEBBYXBPOO-UHFFFAOYSA-N 0 1 299.399 2.611 20 30 CFEDMN N#Cc1ccc(CN2CC(Cc3ccco3)C2)cc1 ZINC000529653599 383742511 /nfs/dbraw/zinc/74/25/11/383742511.db2.gz RALWCNYXFKKXBV-UHFFFAOYSA-N 0 1 252.317 2.826 20 30 CFEDMN N#Cc1cccc(CN2CCc3ccccc3[C@@H]2CO)c1 ZINC000268081094 190375321 /nfs/dbraw/zinc/37/53/21/190375321.db2.gz GLVVOQSGLROSFC-SFHVURJKSA-N 0 1 278.355 2.650 20 30 CFEDMN N#Cc1ccc(C(=O)Nc2cccc(Cl)c2O)o1 ZINC000335937384 380129484 /nfs/dbraw/zinc/12/94/84/380129484.db2.gz OBEIWPRRJQJSER-UHFFFAOYSA-N 0 1 262.652 2.763 20 30 CFEDMN CC(C)n1cc(C#N)c(=NC(=O)[C@H]2CCC(C)(C)C2)[nH]1 ZINC000335980140 380190662 /nfs/dbraw/zinc/19/06/62/380190662.db2.gz MRSOMFNLFAFMOM-NSHDSACASA-N 0 1 274.368 2.522 20 30 CFEDMN N#CC1(CN[C@H]2c3ccccc3CC23CCOCC3)CC1 ZINC000336189666 380281748 /nfs/dbraw/zinc/28/17/48/380281748.db2.gz JRVDFAXZRXGNMK-INIZCTEOSA-N 0 1 282.387 2.974 20 30 CFEDMN N#CCC1CCN(Cc2cn3ccccc3c2C#N)CC1 ZINC000336317314 380314723 /nfs/dbraw/zinc/31/47/23/380314723.db2.gz HGCKBULAQVBDPG-UHFFFAOYSA-N 0 1 278.359 2.937 20 30 CFEDMN CC[C@@H]1CN(Cc2ccc(C#N)c(F)c2)CCCO1 ZINC000336496573 380366290 /nfs/dbraw/zinc/36/62/90/380366290.db2.gz DBMATKDGNSOXKL-CQSZACIVSA-N 0 1 262.328 2.698 20 30 CFEDMN O=C(CN(C1CC1)C1CCCCC1)Nc1nncs1 ZINC000048894796 412926708 /nfs/dbraw/zinc/92/67/08/412926708.db2.gz XHEBYXDSOSLKHK-UHFFFAOYSA-N 0 1 280.397 2.923 20 30 CFEDMN C=CCN(CC=C)C(=O)CNC1(c2cccc(F)c2)CC1 ZINC000179683055 380572775 /nfs/dbraw/zinc/57/27/75/380572775.db2.gz DDABDZOBHQFUEJ-UHFFFAOYSA-N 0 1 288.366 2.605 20 30 CFEDMN CC(C)(C)OC(=O)[C@@H]1CCN(Cc2cc(C#N)cs2)C1 ZINC000179964611 380603970 /nfs/dbraw/zinc/60/39/70/380603970.db2.gz FSYMIIDJXZOGIR-GFCCVEGCSA-N 0 1 292.404 2.783 20 30 CFEDMN C=CCNC(=O)CN[C@@H](C)c1ccccc1SCC ZINC000180027974 380610699 /nfs/dbraw/zinc/61/06/99/380610699.db2.gz GFSZEACFTLWSEP-LBPRGKRZSA-N 0 1 278.421 2.751 20 30 CFEDMN C=CCC(C)(C)CNC(=O)N1C[C@@H](C)N(CC)C[C@H]1C ZINC000432577243 383749174 /nfs/dbraw/zinc/74/91/74/383749174.db2.gz YHVVHVNRJPBBQM-ZIAGYGMSSA-N 0 1 281.444 2.713 20 30 CFEDMN C=CCNC(=O)CN[C@H](c1ccccc1F)C1CCCC1 ZINC000181493245 380807264 /nfs/dbraw/zinc/80/72/64/380807264.db2.gz BELPBXJHKOERLB-KRWDZBQOSA-N 0 1 290.382 2.949 20 30 CFEDMN Cc1c(Cl)cnc(N[C@H]2CCc3[nH]cnc3C2)c1C#N ZINC000367907351 380853165 /nfs/dbraw/zinc/85/31/65/380853165.db2.gz QQOJIBZUOREMNZ-VIFPVBQESA-N 0 1 287.754 2.608 20 30 CFEDMN CC(C)Cn1cc(CNCc2ccc(OCC#N)cc2)cn1 ZINC000181790421 380895705 /nfs/dbraw/zinc/89/57/05/380895705.db2.gz IGSPKMPIEOSZBW-UHFFFAOYSA-N 0 1 298.390 2.731 20 30 CFEDMN C[C@@H](NCCn1cnnc1C1CC1)c1ccc(C#N)cc1F ZINC000358588284 380952025 /nfs/dbraw/zinc/95/20/25/380952025.db2.gz LOLHJHQRQPPIKG-LLVKDONJSA-N 0 1 299.353 2.517 20 30 CFEDMN Cc1cc(NC[C@@H](c2ccco2)N(C)C)cc(C#N)n1 ZINC000341351998 380958999 /nfs/dbraw/zinc/95/89/99/380958999.db2.gz VPKLHHCGGFPPQK-AWEZNQCLSA-N 0 1 270.336 2.570 20 30 CFEDMN C=C(CC)CN1CCN(Cc2cc(F)ccc2OC)CC1 ZINC000358639627 380986431 /nfs/dbraw/zinc/98/64/31/380986431.db2.gz ZRESMSVZQIBLKY-UHFFFAOYSA-N 0 1 292.398 2.918 20 30 CFEDMN N#C[C@H](NC(=O)c1cccc2n[nH]cc21)c1ccc(F)cc1 ZINC000358574217 380941490 /nfs/dbraw/zinc/94/14/90/380941490.db2.gz ZSCHLFNHTMIZLV-HNNXBMFYSA-N 0 1 294.289 2.697 20 30 CFEDMN C=CC1CCN(Cc2csc(C(=O)OC)c2)CC1 ZINC000411253472 381021054 /nfs/dbraw/zinc/02/10/54/381021054.db2.gz LWDXHVLUQCDILX-UHFFFAOYSA-N 0 1 265.378 2.933 20 30 CFEDMN C=C(C)CN(Cc1cnn(C)c1)Cc1ccccc1 ZINC000279333945 194388218 /nfs/dbraw/zinc/38/82/18/194388218.db2.gz OZVNNXSGFACJLO-UHFFFAOYSA-N 0 1 255.365 2.998 20 30 CFEDMN C=C(Cl)CN1CCCN2c3ccccc3C[C@@H]2C1 ZINC000289372601 381032726 /nfs/dbraw/zinc/03/27/26/381032726.db2.gz BKQZOOKQXLFLAG-CQSZACIVSA-N 0 1 262.784 2.876 20 30 CFEDMN C=C[C@@H](CO)N[C@H](C)c1sc(C(C)C)nc1C ZINC000289627771 381075143 /nfs/dbraw/zinc/07/51/43/381075143.db2.gz FAHNCYUYZVMCAF-KOLCDFICSA-N 0 1 254.399 2.772 20 30 CFEDMN CCOC1CC(N(C)Cc2cc(C#N)ccc2OC)C1 ZINC000347429239 381146544 /nfs/dbraw/zinc/14/65/44/381146544.db2.gz RZLQAZBMOIVJAK-UHFFFAOYSA-N 0 1 274.364 2.566 20 30 CFEDMN C=C[C@H](CO)N[C@@H](C)c1ccc(F)cc1OC(F)F ZINC000289770058 381147774 /nfs/dbraw/zinc/14/77/74/381147774.db2.gz MDGDXEOXEMWRBV-WCBMZHEXSA-N 0 1 275.270 2.625 20 30 CFEDMN Cc1cc(S(=O)(=O)Nc2cccc(C#N)c2C)c(C)o1 ZINC000182820502 381165598 /nfs/dbraw/zinc/16/55/98/381165598.db2.gz QWYACGMXYCBXBD-UHFFFAOYSA-N 0 1 290.344 2.877 20 30 CFEDMN C=C[C@H](CO)N[C@H](C)c1cnn(-c2ccc(F)cc2)c1C ZINC000289832540 381180331 /nfs/dbraw/zinc/18/03/31/381180331.db2.gz PLECJPKBKPMDSZ-BXUZGUMPSA-N 0 1 289.354 2.517 20 30 CFEDMN C=C[C@@H](CO)N[C@@H](C)c1cnn(-c2ccc(F)cc2)c1C ZINC000289832541 381180478 /nfs/dbraw/zinc/18/04/78/381180478.db2.gz PLECJPKBKPMDSZ-FZMZJTMJSA-N 0 1 289.354 2.517 20 30 CFEDMN C[C@H](NCc1n[nH]c(C2CC2)n1)c1ccc(C#N)cc1F ZINC000347613844 381257772 /nfs/dbraw/zinc/25/77/72/381257772.db2.gz PCWJSHAPUCBEEK-VIFPVBQESA-N 0 1 285.326 2.544 20 30 CFEDMN N#Cc1ccc(CN2CCCO[C@H]3CCC[C@@H]32)c(F)c1 ZINC000369455448 381262486 /nfs/dbraw/zinc/26/24/86/381262486.db2.gz BZOOTTXZUCPAGM-HOTGVXAUSA-N 0 1 274.339 2.841 20 30 CFEDMN CCn1cc([C@@H](C)NCC#Cc2ccc(F)cc2)cn1 ZINC000296039408 381225330 /nfs/dbraw/zinc/22/53/30/381225330.db2.gz MYWSATLNNXWPBC-CYBMUJFWSA-N 0 1 271.339 2.744 20 30 CFEDMN N#CC(C(=O)c1ncccc1C(F)(F)F)c1ccccn1 ZINC000183482344 381277895 /nfs/dbraw/zinc/27/78/95/381277895.db2.gz UKOQBLVPIKOUDF-SECBINFHSA-N 0 1 291.232 2.985 20 30 CFEDMN N#C[C@@H](C(=O)c1ncccc1C(F)(F)F)c1ccccn1 ZINC000183482344 381277901 /nfs/dbraw/zinc/27/79/01/381277901.db2.gz UKOQBLVPIKOUDF-SECBINFHSA-N 0 1 291.232 2.985 20 30 CFEDMN CC(C)OC[C@H]1CN(CCCCC(C)(C)C#N)CCO1 ZINC000369721288 381321276 /nfs/dbraw/zinc/32/12/76/381321276.db2.gz DLHZXAQFKNWGLC-OAHLLOKOSA-N 0 1 282.428 2.832 20 30 CFEDMN Cc1cc([C@@H](C)NCC(=O)N[C@](C)(C#N)C(C)C)c(C)o1 ZINC000183792600 381321730 /nfs/dbraw/zinc/32/17/30/381321730.db2.gz ZIWWCCJIPPRXME-MLGOLLRUSA-N 0 1 291.395 2.602 20 30 CFEDMN C#C[C@H](NCc1cccc(OC)c1OC)C(C)(C)C ZINC000290204084 381340974 /nfs/dbraw/zinc/34/09/74/381340974.db2.gz PVFJBEMCEHTBDX-AWEZNQCLSA-N 0 1 261.365 2.841 20 30 CFEDMN CC(=O)c1ccc(C#N)c(N[C@@H]2CCCN(C)[C@H]2C)c1 ZINC000347874421 381393632 /nfs/dbraw/zinc/39/36/32/381393632.db2.gz JBXODNSDBVCXAC-XHDPSFHLSA-N 0 1 271.364 2.655 20 30 CFEDMN CN(CC[C@H]1CCCO1)Cc1ccc(C#N)cc1F ZINC000342565882 381399838 /nfs/dbraw/zinc/39/98/38/381399838.db2.gz HUYMNVRMCIMAQM-CQSZACIVSA-N 0 1 262.328 2.698 20 30 CFEDMN COc1cc([C@@H](C)NCC2(CC#N)CC2)c(F)cn1 ZINC000348276755 381478997 /nfs/dbraw/zinc/47/89/97/381478997.db2.gz FBDWVRSCIIYCAD-SNVBAGLBSA-N 0 1 263.316 2.574 20 30 CFEDMN C=CCOCCCN1CCOC[C@@H]1c1ccccc1 ZINC000348030885 381454463 /nfs/dbraw/zinc/45/44/63/381454463.db2.gz JPOPHMDSLWINRA-MRXNPFEDSA-N 0 1 261.365 2.653 20 30 CFEDMN C=CCCN(C)Cc1nnc(-c2ccc(OC)cc2)o1 ZINC000342729531 381503930 /nfs/dbraw/zinc/50/39/30/381503930.db2.gz FRBQGNIQSRMWHV-UHFFFAOYSA-N 0 1 273.336 2.753 20 30 CFEDMN CC(C)(C#N)CNC(=O)c1ccc(Nc2ccncc2)cc1 ZINC000359629096 381520389 /nfs/dbraw/zinc/52/03/89/381520389.db2.gz BRRZSCGPMQHQMQ-UHFFFAOYSA-N 0 1 294.358 2.527 20 30 CFEDMN Cc1nc([C@H]2CCCCN2Cc2ccc(C#N)cc2)n[nH]1 ZINC000370949786 381520610 /nfs/dbraw/zinc/52/06/10/381520610.db2.gz FTSUESRNHWNDDA-OAHLLOKOSA-N 0 1 281.363 2.712 20 30 CFEDMN N#Cc1cc(F)ccc1CN[C@H]1CCC[C@@H]1OC(F)F ZINC000348456415 381574428 /nfs/dbraw/zinc/57/44/28/381574428.db2.gz OAMOAOUGQFTINC-STQMWFEESA-N 0 1 284.281 2.947 20 30 CFEDMN C=CCc1cc(CNc2nccn2CC)cc(OC)c1O ZINC000414310045 381577722 /nfs/dbraw/zinc/57/77/22/381577722.db2.gz YPWLWDDVLWPNLL-UHFFFAOYSA-N 0 1 287.363 2.958 20 30 CFEDMN CC(C)(CC#N)CN[C@H](c1nnc[nH]1)c1ccc(F)cc1 ZINC000414174538 381567132 /nfs/dbraw/zinc/56/71/32/381567132.db2.gz YEYBWVJLZYNADU-ZDUSSCGKSA-N 0 1 287.342 2.563 20 30 CFEDMN CC#CCCCC(=O)NC[C@@H](c1ccco1)N(CC)CC ZINC000185297345 381590085 /nfs/dbraw/zinc/59/00/85/381590085.db2.gz FHMPULWYDHAEHA-HNNXBMFYSA-N 0 1 290.407 2.972 20 30 CFEDMN C[C@H](NCC1(C#N)CC1)[C@@H]1Oc2ccccc2[C@H]1C ZINC000348529878 381611863 /nfs/dbraw/zinc/61/18/63/381611863.db2.gz GJBUBVQVTRAFAY-TYNCELHUSA-N 0 1 256.349 2.833 20 30 CFEDMN CC[C@@H]1CN(CC(C)(C)CCC#N)C[C@@H](C)[S@]1=O ZINC000348544963 381624347 /nfs/dbraw/zinc/62/43/47/381624347.db2.gz JWPRPLDWRIMBIL-SNUQEOBHSA-N 0 1 270.442 2.548 20 30 CFEDMN Cc1cccc2c1[nH]cc(C(=O)NCCCCC#N)c2=O ZINC000185418581 381626226 /nfs/dbraw/zinc/62/62/26/381626226.db2.gz VVKARWUNMRKDNU-UHFFFAOYSA-N 0 1 283.331 2.673 20 30 CFEDMN C=CCOc1cccc(CN2CCC(F)(F)[C@@H](CO)C2)c1 ZINC000291167946 381693353 /nfs/dbraw/zinc/69/33/53/381693353.db2.gz DGEMHTLZZFEGEN-CQSZACIVSA-N 0 1 297.345 2.701 20 30 CFEDMN C#CCN(C[C@H](O)c1ccc(C(F)(F)F)cc1)C1CC1 ZINC000291252693 381724735 /nfs/dbraw/zinc/72/47/35/381724735.db2.gz WCDAZGHWGFDLCE-AWEZNQCLSA-N 0 1 283.293 2.836 20 30 CFEDMN CCC[C@H]1CN(C(=O)[C@H](C)C#N)CCN1Cc1ccccc1 ZINC000343538823 381782311 /nfs/dbraw/zinc/78/23/11/381782311.db2.gz WBISBLKERQDTMC-WBVHZDCISA-N 0 1 299.418 2.659 20 30 CFEDMN CN1Cc2ccccc2[C@H](Nc2ncccc2C#N)C1 ZINC000372296427 381787386 /nfs/dbraw/zinc/78/73/86/381787386.db2.gz DMBSYOOFSOIAMF-OAHLLOKOSA-N 0 1 264.332 2.552 20 30 CFEDMN CC[C@H]1CN(Cc2ccc(CC#N)cc2)C[C@@H](C)O1 ZINC000343507946 381760001 /nfs/dbraw/zinc/76/00/01/381760001.db2.gz HXXOWQHWACGGKG-CJNGLKHVSA-N 0 1 258.365 2.752 20 30 CFEDMN CCN1CCN(c2c(C#N)cnc3ccc(C)cc32)CC1 ZINC000291625219 381766815 /nfs/dbraw/zinc/76/68/15/381766815.db2.gz KVDYQMRKUHIZNE-UHFFFAOYSA-N 0 1 280.375 2.557 20 30 CFEDMN CCN(CCC#N)C(=O)CN(C)C1CC(c2ccccc2)C1 ZINC000361331088 381820187 /nfs/dbraw/zinc/82/01/87/381820187.db2.gz LNSZNKYNFHVODW-UHFFFAOYSA-N 0 1 299.418 2.627 20 30 CFEDMN C#CC[C@H](NCC(=O)N(C)Cc1ccco1)c1ccccc1 ZINC000299149549 381843334 /nfs/dbraw/zinc/84/33/34/381843334.db2.gz WUWCBFZJEMFYAB-KRWDZBQOSA-N 0 1 296.370 2.592 20 30 CFEDMN N#CC1(CN[C@H](c2ccccc2)[C@@H]2CCOC2)CC1 ZINC000343578979 381812198 /nfs/dbraw/zinc/81/21/98/381812198.db2.gz FXHDPUXIZDWJHY-HUUCEWRRSA-N 0 1 256.349 2.658 20 30 CFEDMN C=CCCCN1CCO[C@@H](COc2ccccc2)C1 ZINC000361986850 381877327 /nfs/dbraw/zinc/87/73/27/381877327.db2.gz RQQGBWODTPCIDK-MRXNPFEDSA-N 0 1 261.365 2.732 20 30 CFEDMN CC1=C(C)CN(CC(=O)N(C)C2(C#N)CCCCC2)CC1 ZINC000361619281 381851319 /nfs/dbraw/zinc/85/13/19/381851319.db2.gz MKSIJBORGDOUNF-UHFFFAOYSA-N 0 1 289.423 2.713 20 30 CFEDMN C=CCN1CC[C@H](N(C)Cc2cc(C)c(C)cc2C)C1=O ZINC000343626294 381851553 /nfs/dbraw/zinc/85/15/53/381851553.db2.gz SUJJMZRTUZLSOP-KRWDZBQOSA-N 0 1 286.419 2.831 20 30 CFEDMN C=CCC(F)(F)C(=O)N[C@@H]1CCN(Cc2ccccc2)C1 ZINC000292855095 381866667 /nfs/dbraw/zinc/86/66/67/381866667.db2.gz SOJNVDIISZQOQT-CQSZACIVSA-N 0 1 294.345 2.589 20 30 CFEDMN C(#Cc1ccccc1)CN1CCC([C@H]2CCOC2)CC1 ZINC000372814228 381873574 /nfs/dbraw/zinc/87/35/74/381873574.db2.gz JCRLZQULZAUETE-SFHVURJKSA-N 0 1 269.388 2.787 20 30 CFEDMN C(#Cc1ccccc1)CN1CCC([C@@H]2CCOC2)CC1 ZINC000372814226 381874344 /nfs/dbraw/zinc/87/43/44/381874344.db2.gz JCRLZQULZAUETE-GOSISDBHSA-N 0 1 269.388 2.787 20 30 CFEDMN Cc1c([C@H]2CCC[N@H+]2CC#Cc2ccccc2)cnn1C ZINC000372813366 381874543 /nfs/dbraw/zinc/87/45/43/381874543.db2.gz FLOSEPYBPRFFEO-GOSISDBHSA-N 0 1 279.387 2.917 20 30 CFEDMN Cc1c([C@H]2CCCN2CC#Cc2ccccc2)cnn1C ZINC000372813366 381874548 /nfs/dbraw/zinc/87/45/48/381874548.db2.gz FLOSEPYBPRFFEO-GOSISDBHSA-N 0 1 279.387 2.917 20 30 CFEDMN CN(CCCC(C)(C)C#N)Cc1cn2c(n1)CCCC2 ZINC000373001045 381908085 /nfs/dbraw/zinc/90/80/85/381908085.db2.gz XPTLUVBBTXPSPC-UHFFFAOYSA-N 0 1 274.412 2.981 20 30 CFEDMN CN(Cc1cn2c(n1)CCCC2)CC(C)(C)CCC#N ZINC000373029126 381912789 /nfs/dbraw/zinc/91/27/89/381912789.db2.gz SJOIQHKGFRZYTG-UHFFFAOYSA-N 0 1 274.412 2.981 20 30 CFEDMN CCCN(CC)CC(=O)Nc1ccc(C#N)c(Cl)c1 ZINC000299399062 381924147 /nfs/dbraw/zinc/92/41/47/381924147.db2.gz UZDQTACFYYPBTP-UHFFFAOYSA-N 0 1 279.771 2.882 20 30 CFEDMN Cc1csc([C@H](C#N)C(=O)c2cnccc2C)n1 ZINC000357013476 381962215 /nfs/dbraw/zinc/96/22/15/381962215.db2.gz MESGXAZPWJYGFB-SNVBAGLBSA-N 0 1 257.318 2.645 20 30 CFEDMN Cc1csc(C(C#N)C(=O)c2cnccc2C)n1 ZINC000357013476 381962218 /nfs/dbraw/zinc/96/22/18/381962218.db2.gz MESGXAZPWJYGFB-SNVBAGLBSA-N 0 1 257.318 2.645 20 30 CFEDMN CC#CCN(C)C[C@@H](O)COc1ccccc1C(C)C ZINC000293056482 381971409 /nfs/dbraw/zinc/97/14/09/381971409.db2.gz IGJFHUDHWCBMHZ-OAHLLOKOSA-N 0 1 275.392 2.505 20 30 CFEDMN CCCNC(=O)CN(CCC)[C@H](C)c1ccc(C#N)cc1 ZINC000299412528 381931914 /nfs/dbraw/zinc/93/19/14/381931914.db2.gz PLRUYBVQJKNRGY-CQSZACIVSA-N 0 1 287.407 2.857 20 30 CFEDMN C#CCN1CCC(C(=O)N(C)[C@@H](C)c2ccccc2C)CC1 ZINC000299456080 381948568 /nfs/dbraw/zinc/94/85/68/381948568.db2.gz VSWGFDIUEAKYMZ-INIZCTEOSA-N 0 1 298.430 2.860 20 30 CFEDMN C=C(Cl)CN[C@@H](C)c1ccc(OCC(=O)OC)cc1 ZINC000299451400 381948749 /nfs/dbraw/zinc/94/87/49/381948749.db2.gz WREWLOCABHDDDI-NSHDSACASA-N 0 1 283.755 2.642 20 30 CFEDMN C=C[C@@](C)(CC)C(=O)Nc1nc(-c2ccco2)n[nH]1 ZINC000299451196 381949206 /nfs/dbraw/zinc/94/92/06/381949206.db2.gz ZCQSBRLOUSYCMS-ZDUSSCGKSA-N 0 1 260.297 2.606 20 30 CFEDMN C=CCN(CC=C)C(=O)CN1C[C@@H](C)C[C@@H]1c1cccnc1 ZINC000373412207 381998740 /nfs/dbraw/zinc/99/87/40/381998740.db2.gz JIXOJALIOKDVOR-DOTOQJQBSA-N 0 1 299.418 2.665 20 30 CFEDMN C=C(C)CN(Cc1ccccc1)C(=O)[C@H]1C[C@H]1c1nc[nH]n1 ZINC000373416761 382000386 /nfs/dbraw/zinc/00/03/86/382000386.db2.gz IVWSBLXLRCBEMW-CABCVRRESA-N 0 1 296.374 2.513 20 30 CFEDMN N#Cc1csc(CN[C@@H](CO)c2ccsc2)c1 ZINC000349630601 381976148 /nfs/dbraw/zinc/97/61/48/381976148.db2.gz MQYGEUXHBQZPTF-LBPRGKRZSA-N 0 1 264.375 2.504 20 30 CFEDMN C[C@H](C(=O)Nc1ccc(C#N)c(Cl)c1)N1CC[C@@H](C)C1 ZINC000299564689 381985392 /nfs/dbraw/zinc/98/53/92/381985392.db2.gz AJOGWFDLOOLCFR-GHMZBOCLSA-N 0 1 291.782 2.880 20 30 CFEDMN C[C@@H](NCC(=O)N1CCCC[C@@H]1C)c1ccc(C#N)cc1 ZINC000299593894 381995221 /nfs/dbraw/zinc/99/52/21/381995221.db2.gz IFOHZVAXNQJXOF-UONOGXRCSA-N 0 1 285.391 2.610 20 30 CFEDMN Cn1nccc1C1C[C@H]2CC[C@@H](C1)N2C[C@@H](C#N)CCC#N ZINC000374767805 382054759 /nfs/dbraw/zinc/05/47/59/382054759.db2.gz OXIOUXPSALCKQV-WZYMTQMTSA-N 0 1 297.406 2.574 20 30 CFEDMN C=C(C)CN(C)CC(=O)NCCCSc1ccccc1 ZINC000351065190 382023566 /nfs/dbraw/zinc/02/35/66/382023566.db2.gz QIOMNWIPZIEVNK-UHFFFAOYSA-N 0 1 292.448 2.793 20 30 CFEDMN CN(C)Cc1cc(CNc2cccc(C#N)n2)ccc1F ZINC000301254491 382124531 /nfs/dbraw/zinc/12/45/31/382124531.db2.gz CUNQCIXAIBPIPK-UHFFFAOYSA-N 0 1 284.338 2.766 20 30 CFEDMN N#Cc1c(C[N@H+]2CCC[C@@H]3COCC[C@H]32)cn2ccccc12 ZINC000362455766 382079546 /nfs/dbraw/zinc/07/95/46/382079546.db2.gz TXHATMUMPOLLMZ-RHSMWYFYSA-N 0 1 295.386 2.812 20 30 CFEDMN C#CC(C)(C)N(C)[C@@H]1CCCN(Cc2ccccc2)C1=O ZINC000375701446 382096532 /nfs/dbraw/zinc/09/65/32/382096532.db2.gz NSFUYWROGNQNSJ-MRXNPFEDSA-N 0 1 284.403 2.521 20 30 CFEDMN N#Cc1cccc(Cl)c1N1CCC(c2nc[nH]n2)CC1 ZINC000301583076 382179448 /nfs/dbraw/zinc/17/94/48/382179448.db2.gz QIMVLKFAYTVBGI-UHFFFAOYSA-N 0 1 287.754 2.714 20 30 CFEDMN N#Cc1ccc(CN[C@H]2c3ccccc3CC[C@H]2CO)o1 ZINC000377024899 382203815 /nfs/dbraw/zinc/20/38/15/382203815.db2.gz LQVYZQHOZZSUJP-SUMWQHHRSA-N 0 1 282.343 2.537 20 30 CFEDMN CC[C@@]1(C)CCN(CC(=O)Nc2cccc(C#N)c2)C1 ZINC000344243592 382225796 /nfs/dbraw/zinc/22/57/96/382225796.db2.gz VBLABOUYEATWBR-INIZCTEOSA-N 0 1 271.364 2.619 20 30 CFEDMN C=CCN1CCC[C@@H](NC(=O)CCCc2ccccc2)C1 ZINC000352362359 382290581 /nfs/dbraw/zinc/29/05/81/382290581.db2.gz ODRFJERCQVOUHO-QGZVFWFLSA-N 0 1 286.419 2.776 20 30 CFEDMN C=CCOCCN1CCC[C@@H]1CC(=O)c1cccs1 ZINC000293727006 382252867 /nfs/dbraw/zinc/25/28/67/382252867.db2.gz GGWHFEPGUUDXLZ-CYBMUJFWSA-N 0 1 279.405 2.988 20 30 CFEDMN COc1cc(CNc2ncnc3ccsc32)ccc1C#N ZINC000357619271 382254365 /nfs/dbraw/zinc/25/43/65/382254365.db2.gz QGFPQOSYYOIOLP-UHFFFAOYSA-N 0 1 296.355 2.606 20 30 CFEDMN N#CCCCCN[C@@H](c1ncc[nH]1)c1ccc(F)cc1 ZINC000187950363 382307744 /nfs/dbraw/zinc/30/77/44/382307744.db2.gz DFZKMLLXQDNDCJ-CQSZACIVSA-N 0 1 272.327 2.922 20 30 CFEDMN C[C@H]1CCCCN(CC(=O)Nc2ccc(C#N)cc2)C1 ZINC000187957238 382309989 /nfs/dbraw/zinc/30/99/89/382309989.db2.gz KWCLSTQKMGOGOD-ZDUSSCGKSA-N 0 1 271.364 2.619 20 30 CFEDMN C[C@@H]1CCCCN(CC(=O)Nc2cccc(C#N)c2)C1 ZINC000187969016 382313450 /nfs/dbraw/zinc/31/34/50/382313450.db2.gz KWQVGZPHFBPDMU-CYBMUJFWSA-N 0 1 271.364 2.619 20 30 CFEDMN C=C[C@@H](CO)NCc1ccc(-c2cccc(F)c2F)o1 ZINC000352481671 382355537 /nfs/dbraw/zinc/35/55/37/382355537.db2.gz PQFVCBDRSVOXAY-JTQLQIEISA-N 0 1 279.286 2.861 20 30 CFEDMN C=CC[C@H](C)[C@H](C)NCc1ncn(-c2ccccc2)n1 ZINC000293963699 382357279 /nfs/dbraw/zinc/35/72/79/382357279.db2.gz ADPPDWNMJADADJ-KBPBESRZSA-N 0 1 270.380 2.958 20 30 CFEDMN C#C[C@@H](C)N(C)Cc1ccc(OC(F)F)c(OC)c1 ZINC000491780468 262038957 /nfs/dbraw/zinc/03/89/57/262038957.db2.gz ISLSTXGUJMOFJP-SNVBAGLBSA-N 0 1 269.291 2.750 20 30 CFEDMN CCc1nc(NC(=O)c2ccc(C#N)c(O)c2)sc1C ZINC000188317100 382390997 /nfs/dbraw/zinc/39/09/97/382390997.db2.gz VYZIVASQRLZNFZ-UHFFFAOYSA-N 0 1 287.344 2.844 20 30 CFEDMN C=CCC[C@H](O)CN1CCO[C@](C)(c2ccccc2)C1 ZINC000305095303 382422787 /nfs/dbraw/zinc/42/27/87/382422787.db2.gz RVHPEKBNNJTARD-IRXDYDNUSA-N 0 1 275.392 2.561 20 30 CFEDMN N#Cc1ccc2ncc(CN3C[C@@H]4CCCCC[C@@H]43)n2c1 ZINC000378344747 382440811 /nfs/dbraw/zinc/44/08/11/382440811.db2.gz CFWDWBQOMSDBPM-HOCLYGCPSA-N 0 1 280.375 2.970 20 30 CFEDMN OCC[C@H](NCC#Cc1ccc(F)cc1)c1ccccc1 ZINC000305777817 382447067 /nfs/dbraw/zinc/44/70/67/382447067.db2.gz QBRAJJYONBWANG-SFHVURJKSA-N 0 1 283.346 2.891 20 30 CFEDMN C=C(C)CCN[C@@H](C)c1ncc(C(=O)OC)s1 ZINC000314869852 382526973 /nfs/dbraw/zinc/52/69/73/382526973.db2.gz CSOIDHCYBIYKMK-VIFPVBQESA-N 0 1 254.355 2.547 20 30 CFEDMN C=CC(C)(C)CN[C@@H](C)c1ncc(C(=O)OC)s1 ZINC000314809954 382527748 /nfs/dbraw/zinc/52/77/48/382527748.db2.gz OQWFAYWPGJGVLO-VIFPVBQESA-N 0 1 268.382 2.793 20 30 CFEDMN N#CC(C(=O)c1cc2occc2s1)c1ccncn1 ZINC000680617217 542342928 /nfs/dbraw/zinc/34/29/28/542342928.db2.gz IRZHYIIATUGXSN-MRVPVSSYSA-N 0 1 269.285 2.774 20 30 CFEDMN COc1cc(CN[C@@H](C)c2cnc(C)nc2C)ccc1C#N ZINC000353609283 382575585 /nfs/dbraw/zinc/57/55/85/382575585.db2.gz KCXKIBGVWDUIAK-NSHDSACASA-N 0 1 296.374 2.825 20 30 CFEDMN CCS[C@H]1CCC[C@H]1NCc1nc(C#N)cs1 ZINC000386110609 382583710 /nfs/dbraw/zinc/58/37/10/382583710.db2.gz KFGQLGWQEDBOLJ-MNOVXSKESA-N 0 1 267.423 2.779 20 30 CFEDMN CCOC(=O)C1CCN([C@H](C)c2cccc(C#N)c2)CC1 ZINC000189344036 382595909 /nfs/dbraw/zinc/59/59/09/382595909.db2.gz BJRHMEKYGYCDLV-CYBMUJFWSA-N 0 1 286.375 2.894 20 30 CFEDMN CCCN1C(=O)N=NC1SCc1ccc(C#N)c(F)c1 ZINC000358398556 382600265 /nfs/dbraw/zinc/60/02/65/382600265.db2.gz XFLXVIPZHKISIY-UHFFFAOYSA-N 0 1 292.339 2.697 20 30 CFEDMN CCS[C@H]1CCC[C@@H]1NCc1nc(C#N)cs1 ZINC000386110610 382583420 /nfs/dbraw/zinc/58/34/20/382583420.db2.gz KFGQLGWQEDBOLJ-QWRGUYRKSA-N 0 1 267.423 2.779 20 30 CFEDMN N#CC(C(=O)c1cncc(F)c1)c1cnc2ccccc2n1 ZINC000190991647 382687435 /nfs/dbraw/zinc/68/74/35/382687435.db2.gz KLSUWOCPLNROCV-GFCCVEGCSA-N 0 1 292.273 2.654 20 30 CFEDMN N#C[C@@H](C(=O)c1cncc(F)c1)c1cnc2ccccc2n1 ZINC000190991647 382687437 /nfs/dbraw/zinc/68/74/37/382687437.db2.gz KLSUWOCPLNROCV-GFCCVEGCSA-N 0 1 292.273 2.654 20 30 CFEDMN C=C(C)CN(CC)C(=O)[C@@H](C)N[C@H](C)c1cccnc1 ZINC000192613030 382710658 /nfs/dbraw/zinc/71/06/58/382710658.db2.gz ZIJDBNVMFKNYBJ-ZIAGYGMSSA-N 0 1 275.396 2.545 20 30 CFEDMN C=CCCCN(C)Cc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000193983623 382731260 /nfs/dbraw/zinc/73/12/60/382731260.db2.gz GGSFFUVCDNNMKY-UHFFFAOYSA-N 0 1 279.296 2.901 20 30 CFEDMN C[C@@H](C#N)CN(CCCC1(C#N)CCOCC1)C1CC1 ZINC000337197271 382774833 /nfs/dbraw/zinc/77/48/33/382774833.db2.gz YHUKICAKQBRSNN-AWEZNQCLSA-N 0 1 275.396 2.711 20 30 CFEDMN C[C@H](NC[C@@](C)(O)C(F)(F)F)c1ccc(C#N)cc1F ZINC000337206444 382776648 /nfs/dbraw/zinc/77/66/48/382776648.db2.gz MNPCIOMVYDQONJ-QPUJVOFHSA-N 0 1 290.260 2.661 20 30 CFEDMN C=CCN1CC[C@H](N(C)CCc2ccccc2Cl)C1=O ZINC000337232610 382781746 /nfs/dbraw/zinc/78/17/46/382781746.db2.gz VRYZRFJAAXMLKL-HNNXBMFYSA-N 0 1 292.810 2.601 20 30 CFEDMN N#Cc1ccc(CN[C@@H]2CCCO[C@@H]2c2ccncc2)o1 ZINC000337250799 382785806 /nfs/dbraw/zinc/78/58/06/382785806.db2.gz KFUVLVVOKJQJOV-HZPDHXFCSA-N 0 1 283.331 2.556 20 30 CFEDMN C=CCSCCNCc1c(OC)cc(OC)cc1OC ZINC000222065024 382800904 /nfs/dbraw/zinc/80/09/04/382800904.db2.gz LVQIQNWYHAMQRG-UHFFFAOYSA-N 0 1 297.420 2.721 20 30 CFEDMN Cc1nc(C(=O)[C@H](C#N)c2cc(C)nc(C)n2)c(C)s1 ZINC000337518653 382836004 /nfs/dbraw/zinc/83/60/04/382836004.db2.gz AUSALWMNGUAYDV-LLVKDONJSA-N 0 1 286.360 2.657 20 30 CFEDMN Cc1nc(C(=O)C(C#N)c2cc(C)nc(C)n2)c(C)s1 ZINC000337518653 382836007 /nfs/dbraw/zinc/83/60/07/382836007.db2.gz AUSALWMNGUAYDV-LLVKDONJSA-N 0 1 286.360 2.657 20 30 CFEDMN C=CCNC(=O)[C@H](C)N(C)C/C(C)=C\c1ccccc1 ZINC000494268815 382911250 /nfs/dbraw/zinc/91/12/50/382911250.db2.gz RTRYNRDAPQENTM-ZSMUJPCHSA-N 0 1 272.392 2.712 20 30 CFEDMN Cc1c(C#N)cccc1C(=O)Nc1ccc2nc[nH]c2c1 ZINC000338161928 382938426 /nfs/dbraw/zinc/93/84/26/382938426.db2.gz VVAILWWTBGLACR-UHFFFAOYSA-N 0 1 276.299 2.995 20 30 CFEDMN CCN(Cc1cccc(C(=O)OC)c1C#N)CC1CC1 ZINC000535205947 382953353 /nfs/dbraw/zinc/95/33/53/382953353.db2.gz KDPATGFNUJDOCS-UHFFFAOYSA-N 0 1 272.348 2.577 20 30 CFEDMN CC[C@@H](C)N(C)Cc1cccc(C(=O)OC)c1C#N ZINC000535207386 382953393 /nfs/dbraw/zinc/95/33/93/382953393.db2.gz QGHPXCLLEQBEIQ-LLVKDONJSA-N 0 1 260.337 2.575 20 30 CFEDMN C=C(Cl)CN1CC[C@H]([C@H](C)NC(=O)OC(C)(C)C)C1 ZINC000495068338 382957868 /nfs/dbraw/zinc/95/78/68/382957868.db2.gz RIZSSIIUXGZODC-RYUDHWBXSA-N 0 1 288.819 2.974 20 30 CFEDMN Cc1ncc([C@@H](C)NCc2ccc(C#N)s2)c(C)n1 ZINC000421885307 382960385 /nfs/dbraw/zinc/96/03/85/382960385.db2.gz RDUGXBLGHIJHSE-SECBINFHSA-N 0 1 272.377 2.877 20 30 CFEDMN C=C(CC)CN1CCN(C(=O)C(C)(C)C)CC1(C)C ZINC000540522806 382963034 /nfs/dbraw/zinc/96/30/34/382963034.db2.gz BFJYQYFMHNCQDP-UHFFFAOYSA-N 0 1 266.429 2.922 20 30 CFEDMN CC[C@H](CC#N)NC[C@@H](O)COc1ccccc1C(C)C ZINC000578519707 382928400 /nfs/dbraw/zinc/92/84/00/382928400.db2.gz FBDVSKYSVQFONS-HUUCEWRRSA-N 0 1 290.407 2.832 20 30 CFEDMN COC(=O)c1cccc(CN2CCC[C@@H](C)[C@@H]2C)c1C#N ZINC000534471072 382931077 /nfs/dbraw/zinc/93/10/77/382931077.db2.gz ZYMQANKOTRSCIG-OLZOCXBDSA-N 0 1 286.375 2.965 20 30 CFEDMN Cc1cnc(C(=O)Nc2cc(C#N)ccc2C)c(O)c1 ZINC000494828796 382931917 /nfs/dbraw/zinc/93/19/17/382931917.db2.gz IEXZFYALXDZAID-UHFFFAOYSA-N 0 1 267.288 2.528 20 30 CFEDMN Cc1csc(C(C#N)C(=O)c2cccc3nccnc32)n1 ZINC000543580553 382971819 /nfs/dbraw/zinc/97/18/19/382971819.db2.gz RNURHDVOVMIXJJ-LLVKDONJSA-N 0 1 294.339 2.885 20 30 CFEDMN C=C(C)CN(CC)C(=O)CN[C@H](C)c1cnn(C(C)C)c1 ZINC000544468553 382974399 /nfs/dbraw/zinc/97/43/99/382974399.db2.gz DTRCYEOQCKULBZ-CQSZACIVSA-N 0 1 292.427 2.539 20 30 CFEDMN N#Cc1ccc(CN[C@@H]2CC(=O)N(c3ccccc3)C2)s1 ZINC000238106947 382978773 /nfs/dbraw/zinc/97/87/73/382978773.db2.gz XSRLGIAEBRIVFL-GFCCVEGCSA-N 0 1 297.383 2.515 20 30 CFEDMN C=CCC[C@@H](O)C[N@H+](C)Cc1cc(C)ccc1F ZINC000444747037 382978977 /nfs/dbraw/zinc/97/89/77/382978977.db2.gz XEHHTQPJQXZVIG-CQSZACIVSA-N 0 1 251.345 2.893 20 30 CFEDMN C=CCC[C@@H](O)CN(C)Cc1cc(C)ccc1F ZINC000444747037 382978980 /nfs/dbraw/zinc/97/89/80/382978980.db2.gz XEHHTQPJQXZVIG-CQSZACIVSA-N 0 1 251.345 2.893 20 30 CFEDMN CCSCC[C@@H](C)N(C)CC(=O)N[C@](C)(C#N)C(C)C ZINC000245443542 383000935 /nfs/dbraw/zinc/00/09/35/383000935.db2.gz IWUMGBQCWFYQCG-UKRRQHHQSA-N 0 1 299.484 2.504 20 30 CFEDMN CCN(CC)C(=O)OC[C@@H]1CCCCN1CCCC#N ZINC000495619034 383004244 /nfs/dbraw/zinc/00/42/44/383004244.db2.gz VYDYTERBMATNJR-AWEZNQCLSA-N 0 1 281.400 2.623 20 30 CFEDMN N#Cc1ccc2ncc(CN3CCC[C@@H]4CCC[C@H]43)n2c1 ZINC000245560754 383008387 /nfs/dbraw/zinc/00/83/87/383008387.db2.gz NGWDLZDILKQOCC-GOEBONIOSA-N 0 1 280.375 2.970 20 30 CFEDMN C[C@@H](CCC#N)N1CCC[C@H](OCC(F)(F)F)C1 ZINC000578973021 382970001 /nfs/dbraw/zinc/97/00/01/382970001.db2.gz WRAXROUXUIBGRF-QWRGUYRKSA-N 0 1 264.291 2.722 20 30 CFEDMN C[C@H](CCC#N)N1CCC[C@H](OCC(F)(F)F)C1 ZINC000578973020 382970433 /nfs/dbraw/zinc/97/04/33/382970433.db2.gz WRAXROUXUIBGRF-MNOVXSKESA-N 0 1 264.291 2.722 20 30 CFEDMN C[C@H](NC[C@@H](C#N)CCC#N)[C@H]1COc2ccccc21 ZINC000246203340 383066915 /nfs/dbraw/zinc/06/69/15/383066915.db2.gz DUPLZYQXVHIVPB-GZBFAFLISA-N 0 1 269.348 2.584 20 30 CFEDMN C=CCCN1[C@@H](C(=O)OC)CC[C@@H]1c1ccccc1 ZINC000338544285 383021471 /nfs/dbraw/zinc/02/14/71/383021471.db2.gz YUEYGABZFQXGEH-HUUCEWRRSA-N 0 1 259.349 2.941 20 30 CFEDMN C[C@@H]1CCC[N@@H+](CC(=O)N(C)C2(C#N)CCCCC2)[C@H]1C ZINC000247115523 383145518 /nfs/dbraw/zinc/14/55/18/383145518.db2.gz YPDGEUCECMDQMI-CABCVRRESA-N 0 1 291.439 2.792 20 30 CFEDMN N#CCC[C@H](C#N)CN1CC[C@@H](Cc2ccccc2)C1 ZINC000246587664 383083758 /nfs/dbraw/zinc/08/37/58/383083758.db2.gz FQJHLSVGJAICEU-DLBZAZTESA-N 0 1 267.376 2.995 20 30 CFEDMN N#C[C@@H]1CC[C@H](NCc2cnc([C@H]3CCCO3)s2)C1 ZINC000582235750 383085951 /nfs/dbraw/zinc/08/59/51/383085951.db2.gz CKTGAYOCXPTAJR-NTZNESFSSA-N 0 1 277.393 2.776 20 30 CFEDMN N#Cc1ccccc1CN1CC[C@H](c2nc(C3CC3)no2)C1 ZINC000583619063 383091570 /nfs/dbraw/zinc/09/15/70/383091570.db2.gz IKRAKLWUJTYCIQ-HNNXBMFYSA-N 0 1 294.358 2.808 20 30 CFEDMN COc1cccc(C2(CNC[C@H](C#N)CCC#N)CC2)c1 ZINC000584502198 383108219 /nfs/dbraw/zinc/10/82/19/383108219.db2.gz OVBJEMNGIKQXGO-AWEZNQCLSA-N 0 1 283.375 2.760 20 30 CFEDMN CC(C)(C)CN(CCC#N)C(=O)CN1CCC(C)(C)C1 ZINC000565183873 383176520 /nfs/dbraw/zinc/17/65/20/383176520.db2.gz YZQNGJMMWKLDPG-UHFFFAOYSA-N 0 1 279.428 2.507 20 30 CFEDMN N#CC(C(=O)c1ocnc1C1CC1)c1nc2ccccc2[nH]1 ZINC000565268651 383177555 /nfs/dbraw/zinc/17/75/55/383177555.db2.gz DLBXNAIZZZLBNF-SNVBAGLBSA-N 0 1 292.298 2.918 20 30 CFEDMN CN(C(=O)CN1CCC(C)(C)CC1)C1(C#N)CCCCC1 ZINC000339254239 383185977 /nfs/dbraw/zinc/18/59/77/383185977.db2.gz NEYICCZCZNCQDG-UHFFFAOYSA-N 0 1 291.439 2.793 20 30 CFEDMN C=C(C)C[N@@H+](CC(=O)[O-])Cc1cccc(Br)c1 ZINC000566368529 383186336 /nfs/dbraw/zinc/18/63/36/383186336.db2.gz XHGVMXVWDFUJOV-UHFFFAOYSA-N 0 1 298.180 2.912 20 30 CFEDMN CN(CCCOCc1ccccc1)Cc1ccc(C#N)cn1 ZINC000566687236 383201484 /nfs/dbraw/zinc/20/14/84/383201484.db2.gz YFMRFWKDWGFRKD-UHFFFAOYSA-N 0 1 295.386 2.992 20 30 CFEDMN C=CCN(CCn1c(C)csc1=O)Cc1cccs1 ZINC000247978442 383203743 /nfs/dbraw/zinc/20/37/43/383203743.db2.gz WDDIICFFCXUPOA-UHFFFAOYSA-N 0 1 294.445 2.968 20 30 CFEDMN CCCCN1C(=O)N=NC1SCC(C)(C)CC#N ZINC000515672852 383161257 /nfs/dbraw/zinc/16/12/57/383161257.db2.gz KGKUOXVHQLXAHL-UHFFFAOYSA-N 0 1 268.386 2.816 20 30 CFEDMN Cc1ccc([C@H]2OCCC[C@H]2CNCCC#N)cc1 ZINC000562989356 383163927 /nfs/dbraw/zinc/16/39/27/383163927.db2.gz IIXPUUPQSGZYQD-JKSUJKDBSA-N 0 1 258.365 2.966 20 30 CFEDMN Cc1cc(C#N)cc(NC(=O)CN2CCC(C)(C)C2)c1 ZINC000520253133 383252926 /nfs/dbraw/zinc/25/29/26/383252926.db2.gz RCSMRJLZPKMFGX-UHFFFAOYSA-N 0 1 271.364 2.537 20 30 CFEDMN N#Cc1ccc(CN2CCS[C@H]3CCCC[C@@H]32)nc1 ZINC000567444498 383275994 /nfs/dbraw/zinc/27/59/94/383275994.db2.gz XXMPRDBLOIXECV-GJZGRUSLSA-N 0 1 273.405 2.813 20 30 CFEDMN C=CCN(Cc1cccs1)C(=O)[C@H](C)N1C[C@@H](C)[C@H]1C ZINC000339563726 383244199 /nfs/dbraw/zinc/24/41/99/383244199.db2.gz ZWMCEJHZDBPSFA-MCIONIFRSA-N 0 1 292.448 2.991 20 30 CFEDMN C[C@@]12CN(Cc3nc(C#N)cs3)C[C@@H]1[C@@H]1C=C[C@H]2C1 ZINC000449452711 383302236 /nfs/dbraw/zinc/30/22/36/383302236.db2.gz VDQLHHDLEAPWLH-OICBVUGWSA-N 0 1 271.389 2.659 20 30 CFEDMN COc1cncc(/C=C/CCN(C)C[C@@H](C)C#N)c1 ZINC000567759878 383314060 /nfs/dbraw/zinc/31/40/60/383314060.db2.gz FFTSNZQNOGLULU-BPJJOFIESA-N 0 1 259.353 2.585 20 30 CFEDMN C=C(C)C[N@H+](CC)[C@H](C(=O)[O-])c1cccc(OC)c1 ZINC000634690051 383321048 /nfs/dbraw/zinc/32/10/48/383321048.db2.gz BYNRHRUEGHWTBG-AWEZNQCLSA-N 0 1 263.337 2.719 20 30 CFEDMN CCCCOC1CCN(CC2(C#N)CCC2)CC1 ZINC000450450806 383415230 /nfs/dbraw/zinc/41/52/30/383415230.db2.gz HLQZZBPJXWILKU-UHFFFAOYSA-N 0 1 250.386 2.961 20 30 CFEDMN C=C(C)CCN1Cc2ccccc2C[C@@H]1C(=O)NCC ZINC000425538794 383383999 /nfs/dbraw/zinc/38/39/99/383383999.db2.gz MGJQWMFHVBYKAU-MRXNPFEDSA-N 0 1 272.392 2.516 20 30 CFEDMN C=CCCCCCNC(=O)N[C@@H]1CCCc2cn[nH]c21 ZINC000568765119 383434832 /nfs/dbraw/zinc/43/48/32/383434832.db2.gz SLICZXRKENVILD-CYBMUJFWSA-N 0 1 276.384 2.833 20 30 CFEDMN CNC(=O)CN[C@@H](C)c1ccc(-c2cccc(C#N)c2)cc1 ZINC000428352530 383457567 /nfs/dbraw/zinc/45/75/67/383457567.db2.gz QOKVNVQJIAZIAT-ZDUSSCGKSA-N 0 1 293.370 2.622 20 30 CFEDMN CCCCN1C(=O)N=NC1SCC1(C#N)CCC1 ZINC000450702311 383483654 /nfs/dbraw/zinc/48/36/54/383483654.db2.gz IMMOBCARJUZQGW-UHFFFAOYSA-N 0 1 266.370 2.570 20 30 CFEDMN C=CCN1CCc2c(ncn2-c2ccc(C)cc2)C1 ZINC000487988213 383485090 /nfs/dbraw/zinc/48/50/90/383485090.db2.gz NBCGUHQHKFMRPP-UHFFFAOYSA-N 0 1 253.349 2.725 20 30 CFEDMN C[C@H]1CC[C@@H](N(C)CC(=O)Nc2sccc2C#N)C1 ZINC000429579562 383550056 /nfs/dbraw/zinc/55/00/56/383550056.db2.gz RCGREUWCXQLGSJ-CMPLNLGQSA-N 0 1 277.393 2.679 20 30 CFEDMN Cc1cc(CN[C@H](CO)c2ccc(F)cc2)ccc1C#N ZINC000488247823 383507938 /nfs/dbraw/zinc/50/79/38/383507938.db2.gz LFQXXWCGEYRFEF-QGZVFWFLSA-N 0 1 284.334 2.829 20 30 CFEDMN C=CCOCCCN1[C@@H](C)CN(C(=O)C(C)(C)C)C[C@@H]1C ZINC000429385447 383526046 /nfs/dbraw/zinc/52/60/46/383526046.db2.gz KZWBKUHAYVVCNB-GJZGRUSLSA-N 0 1 296.455 2.546 20 30 CFEDMN C=CCCN1[C@@H](C)CN(C(=O)C(C)(C)C)C[C@@H]1C ZINC000429392387 383527840 /nfs/dbraw/zinc/52/78/40/383527840.db2.gz FTJGVCOFTOQCEL-STQMWFEESA-N 0 1 252.402 2.530 20 30 CFEDMN COC[C@H](NCC1(CC#N)CC1)c1ccc(F)c(F)c1 ZINC000430748258 383598491 /nfs/dbraw/zinc/59/84/91/383598491.db2.gz PTFUCIWMPTWQSI-AWEZNQCLSA-N 0 1 280.318 2.936 20 30 CFEDMN C=CC[N@@H+](CC1CCCCC1)[C@H](C(=O)[O-])C1CC1 ZINC000570457083 383606467 /nfs/dbraw/zinc/60/64/67/383606467.db2.gz ZLAJLSXMRILYOA-AWEZNQCLSA-N 0 1 251.370 2.918 20 30 CFEDMN C/C(Cl)=C/CN1CC[C@H](Oc2ccc(C#N)cn2)C1 ZINC000528504408 383558015 /nfs/dbraw/zinc/55/80/15/383558015.db2.gz AMSHCINOLZBFSD-KPVYPLCOSA-N 0 1 277.755 2.549 20 30 CFEDMN C=CCCS(=O)(=O)Nc1cc(-c2ccccc2C)[nH]n1 ZINC000431191203 383638297 /nfs/dbraw/zinc/63/82/97/383638297.db2.gz IYNPYNPVBGAOAP-UHFFFAOYSA-N 0 1 291.376 2.703 20 30 CFEDMN C=CC[C@H]1N(C(=O)[C@@H](C)N(C)C)CCCC1(C)C ZINC000635863379 383657438 /nfs/dbraw/zinc/65/74/38/383657438.db2.gz ZEUKNNOVYPEPGJ-CHWSQXEVSA-N 0 1 252.402 2.530 20 30 CFEDMN CCO[C@H]1CCN(Cc2ccc(C#N)c(F)c2)C[C@@H]1C ZINC000451526336 383636576 /nfs/dbraw/zinc/63/65/76/383636576.db2.gz GSKQSMOCVTZNRY-LRDDRELGSA-N 0 1 276.355 2.944 20 30 CFEDMN N#CC(C(=O)Nc1ccccc1)C(=O)[C@@H]1CCCC12CC2 ZINC000528917478 383676175 /nfs/dbraw/zinc/67/61/75/383676175.db2.gz GGPLZSUWNIKMOZ-KGLIPLIRSA-N 0 1 282.343 2.914 20 30 CFEDMN C=CCCCN1Cc2ccccc2C[C@H]1C(=O)NC1CC1 ZINC000645993169 383813552 /nfs/dbraw/zinc/81/35/52/383813552.db2.gz FPQQBEFBFXWUQZ-KRWDZBQOSA-N 0 1 284.403 2.658 20 30 CFEDMN C=C[C@@](C)(CC)C(=O)N1C[C@@H](C)N(CC)[C@@H](C)C1 ZINC000640608176 383842907 /nfs/dbraw/zinc/84/29/07/383842907.db2.gz MLXPTLDTAOJMDZ-GUTXKFCHSA-N 0 1 252.402 2.530 20 30 CFEDMN CNc1ccc(C#N)cc1NC(=O)c1cc(F)ccc1O ZINC000436683951 383870679 /nfs/dbraw/zinc/87/06/79/383870679.db2.gz XAWALMNSZMAGQP-UHFFFAOYSA-N 0 1 285.278 2.697 20 30 CFEDMN C=CCCCN(C)C(=O)Nc1cc(CN(C)C)ccn1 ZINC000640562398 383830506 /nfs/dbraw/zinc/83/05/06/383830506.db2.gz LOFHBRYFMPIRQP-UHFFFAOYSA-N 0 1 276.384 2.573 20 30 CFEDMN C=CCN1CC[C@@H](Sc2nc3ccc(C)cc3[nH]2)C1=O ZINC000281086749 195098905 /nfs/dbraw/zinc/09/89/05/195098905.db2.gz WZUJGDRGACGWKP-CYBMUJFWSA-N 0 1 287.388 2.750 20 30 CFEDMN CO[C@@H]1CCN(CC#Cc2ccc(OC(F)(F)F)cc2)C1 ZINC000438074661 383941981 /nfs/dbraw/zinc/94/19/81/383941981.db2.gz DBQFDRUSFHWDLO-CQSZACIVSA-N 0 1 299.292 2.657 20 30 CFEDMN C=CCCCCn1cc([C@H](N)c2ccccc2)nn1 ZINC000640939377 383958596 /nfs/dbraw/zinc/95/85/96/383958596.db2.gz ODLOYEJMVRXNOV-OAHLLOKOSA-N 0 1 256.353 2.683 20 30 CFEDMN C[C@H]1CN(Cc2ccccc2)CCN1c1ccc(C#N)cn1 ZINC000265652166 383969519 /nfs/dbraw/zinc/96/95/19/383969519.db2.gz VJSUMNSFLRGLKA-HNNXBMFYSA-N 0 1 292.386 2.664 20 30 CFEDMN COc1cc(CN2CCC(OC(C)C)CC2)ccc1C#N ZINC000573906486 384010148 /nfs/dbraw/zinc/01/01/48/384010148.db2.gz QDOQHBXSUMODNK-UHFFFAOYSA-N 0 1 288.391 2.956 20 30 CFEDMN N#Cc1csc(CNC2CC(OCc3ccccc3)C2)n1 ZINC000574369743 384085293 /nfs/dbraw/zinc/08/52/93/384085293.db2.gz NUECNVOBDABEIO-UHFFFAOYSA-N 0 1 299.399 2.852 20 30 CFEDMN C[C@@H]1C[C@H](C)CN1CC(=O)Nc1cc(Cl)ccc1C#N ZINC000532970838 384087098 /nfs/dbraw/zinc/08/70/98/384087098.db2.gz ZSNRXDQMIWSJAP-WDEREUQCSA-N 0 1 291.782 2.880 20 30 CFEDMN N#Cc1cccc(CN2CCC[C@@H]([C@H](O)C(F)(F)F)C2)c1 ZINC000277632532 384359087 /nfs/dbraw/zinc/35/90/87/384359087.db2.gz BKIIZFMGXSLTQX-KGLIPLIRSA-N 0 1 298.308 2.693 20 30 CFEDMN CCC#C[C@H](C)N1CCC(OC)(C(F)(F)F)CC1 ZINC000642715877 384455393 /nfs/dbraw/zinc/45/53/93/384455393.db2.gz RQBLXHHFUVZVSX-NSHDSACASA-N 0 1 263.303 2.832 20 30 CFEDMN C=CC[C@@H]1N(Cc2nccc(N)n2)CCCC1(C)C ZINC000277896165 384436154 /nfs/dbraw/zinc/43/61/54/384436154.db2.gz WKHZMQOBWDTHGV-LBPRGKRZSA-N 0 1 260.385 2.626 20 30 CFEDMN C#C[C@@H](C)NCc1c(C)nn(-c2ccc(F)cc2)c1C ZINC000289392914 197326052 /nfs/dbraw/zinc/32/60/52/197326052.db2.gz NTQOQOPRCCYROD-LLVKDONJSA-N 0 1 271.339 2.740 20 30 CFEDMN C=C(C)[C@H]1OCC[C@H]1C(=O)Nc1cc2cn[nH]c2cc1C ZINC000278366451 384542374 /nfs/dbraw/zinc/54/23/74/384542374.db2.gz JVOHNMQUDLJWCE-IUODEOHRSA-N 0 1 285.347 2.791 20 30 CFEDMN C=CC(C)(C)CCNC(=O)[C@@](C)(N)c1ccccc1 ZINC000638455503 384674201 /nfs/dbraw/zinc/67/42/01/384674201.db2.gz WHCDUNZMRWLGNG-INIZCTEOSA-N 0 1 260.381 2.579 20 30 CFEDMN N#Cc1ccc(CN[C@H]2CCCc3[nH]c(=O)ccc32)c(F)c1 ZINC000268851670 384675585 /nfs/dbraw/zinc/67/55/85/384675585.db2.gz FYDJIJHIXABBMF-HNNXBMFYSA-N 0 1 297.333 2.965 20 30 CFEDMN C#CCOc1ccc(CN[C@@H]2CCCc3c[nH]nc32)cc1 ZINC000268868450 384682760 /nfs/dbraw/zinc/68/27/60/384682760.db2.gz UMMLUVJSPYTHKR-MRXNPFEDSA-N 0 1 281.359 2.589 20 30 CFEDMN N#Cc1nc(N[C@H]2CCCc3cn[nH]c32)ccc1Cl ZINC000268895918 384688843 /nfs/dbraw/zinc/68/88/43/384688843.db2.gz YWLSKSZCDOCKSH-JTQLQIEISA-N 0 1 273.727 2.819 20 30 CFEDMN C=CCN1CC[C@H](N[C@@H](C)c2cccc(Cl)c2)C1=O ZINC000281157037 195127662 /nfs/dbraw/zinc/12/76/62/195127662.db2.gz KFXLGLQOVOFBPO-FZMZJTMJSA-N 0 1 278.783 2.778 20 30 CFEDMN C[C@@H](O)C[C@@H]1CCCC[N@H+]1CCOc1ccccc1C#N ZINC000279707003 384729726 /nfs/dbraw/zinc/72/97/26/384729726.db2.gz HQTKZZFHTSSWLN-ZBFHGGJFSA-N 0 1 288.391 2.562 20 30 CFEDMN C[C@H](COCC(F)(F)F)NCc1ccc(C#N)cc1F ZINC000269433084 384757965 /nfs/dbraw/zinc/75/79/65/384757965.db2.gz QCBVLOFNIJVCQM-SECBINFHSA-N 0 1 290.260 2.754 20 30 CFEDMN C#CCCN(C)Cc1cc(OC)c(OC)cc1SC ZINC000269893810 384896337 /nfs/dbraw/zinc/89/63/37/384896337.db2.gz MPLBCVGVGHAMAX-UHFFFAOYSA-N 0 1 279.405 2.881 20 30 CFEDMN C=C(C)C[C@@H](C)C(=O)Nc1cnn(-c2ccncc2)c1 ZINC000680997282 542396196 /nfs/dbraw/zinc/39/61/96/542396196.db2.gz IDGUYGWZXYGBBN-GFCCVEGCSA-N 0 1 270.336 2.808 20 30 CFEDMN CCC#C[C@@H](C)N[C@@H](CO)c1ccc(Br)cc1 ZINC000644714256 385014270 /nfs/dbraw/zinc/01/42/70/385014270.db2.gz SCZDAJIVFHEANY-RISCZKNCSA-N 0 1 296.208 2.874 20 30 CFEDMN C=C(C)CN(C)Cc1ccccc1OCCCCO ZINC000638908964 385025911 /nfs/dbraw/zinc/02/59/11/385025911.db2.gz BUKYLCYXWRVPGF-UHFFFAOYSA-N 0 1 263.381 2.846 20 30 CFEDMN C=C[C@@H]1OCC[C@H]1CNc1cc[nH+]c2c([O-])cccc12 ZINC000644878502 385112613 /nfs/dbraw/zinc/11/26/13/385112613.db2.gz JFXCXCHXUVODDO-NHYWBVRUSA-N 0 1 270.332 2.943 20 30 CFEDMN C=CCN1CC[C@H](N(C)[C@H](C)c2cccc(F)c2)C1=O ZINC000281420589 385195859 /nfs/dbraw/zinc/19/58/59/385195859.db2.gz BQTUYWBJMREYQD-DOMZBBRYSA-N 0 1 276.355 2.605 20 30 CFEDMN C=CCN1CC[C@@H](N(C)[C@H](C)c2cccc(F)c2)C1=O ZINC000281420599 385196472 /nfs/dbraw/zinc/19/64/72/385196472.db2.gz BQTUYWBJMREYQD-IUODEOHRSA-N 0 1 276.355 2.605 20 30 CFEDMN C=C(C)CN[C@@H](c1ccc(C)cc1)[C@@H](C)S(C)(=O)=O ZINC000280820830 385167951 /nfs/dbraw/zinc/16/79/51/385167951.db2.gz NJUIDZJKCUEDRQ-UKRRQHHQSA-N 0 1 281.421 2.635 20 30 CFEDMN C=CCN1CC[C@H](N(C)[C@@H](C)c2cccs2)C1=O ZINC000282134155 385221795 /nfs/dbraw/zinc/22/17/95/385221795.db2.gz YZLGPRPAJLTWIL-RYUDHWBXSA-N 0 1 264.394 2.528 20 30 CFEDMN C=C[C@H]1CCCCN1Cc1cnc(CCOC)s1 ZINC000639110672 385204124 /nfs/dbraw/zinc/20/41/24/385204124.db2.gz AKTFGVCZYUUVSO-LBPRGKRZSA-N 0 1 266.410 2.873 20 30 CFEDMN C#CCCCN(C)CC(=O)Nc1c(C)cccc1C ZINC000271000684 385297302 /nfs/dbraw/zinc/29/73/02/385297302.db2.gz GGANJZKQGBTMJU-UHFFFAOYSA-N 0 1 258.365 2.587 20 30 CFEDMN C#CC[C@@H](NCc1ccnn1CCCOC)c1ccccc1 ZINC000282754539 385383415 /nfs/dbraw/zinc/38/34/15/385383415.db2.gz VHPQWSSIZIOIEC-GOSISDBHSA-N 0 1 297.402 2.774 20 30 CFEDMN C=CCCCCNC(=O)N1CCC[C@@H](c2cc(C)[nH]n2)C1 ZINC000282862718 385402942 /nfs/dbraw/zinc/40/29/42/385402942.db2.gz VORAESHBPBMZTI-CQSZACIVSA-N 0 1 290.411 2.963 20 30 CFEDMN C=C(Cl)CN[C@H](C)[C@@H](c1ccccc1)N1CCOCC1 ZINC000271967950 385413824 /nfs/dbraw/zinc/41/38/24/385413824.db2.gz WDBSKQMZHCSQIH-ZBFHGGJFSA-N 0 1 294.826 2.791 20 30 CFEDMN C[C@@H](NC1(c2cccc(C#N)c2)CC1)c1cnn(C)c1 ZINC000272158792 385462656 /nfs/dbraw/zinc/46/26/56/385462656.db2.gz BJUGRCPRRDFJPT-GFCCVEGCSA-N 0 1 266.348 2.632 20 30 CFEDMN C=CC[N@H+](CCCn1cc[nH+]c1C)CCc1ccco1 ZINC000272262291 385491489 /nfs/dbraw/zinc/49/14/89/385491489.db2.gz KDCHCJNSLGITMZ-UHFFFAOYSA-N 0 1 273.380 2.905 20 30 CFEDMN C=CCCn1cc(CN(C)C[C@H](C)C(C)(C)C)nn1 ZINC000639399352 385517164 /nfs/dbraw/zinc/51/71/64/385517164.db2.gz PEBCWMVCYDBBBB-ZDUSSCGKSA-N 0 1 264.417 2.968 20 30 CFEDMN C=CCC[C@@H](N[C@H](C)CS(=O)(=O)CC)c1ccco1 ZINC000286112239 385560135 /nfs/dbraw/zinc/56/01/35/385560135.db2.gz NTNTUPRHNNRLDM-CHWSQXEVSA-N 0 1 285.409 2.700 20 30 CFEDMN CN(Cc1ccccc1C#N)C[C@@H]1CCCC[C@H]1O ZINC000272594049 385572283 /nfs/dbraw/zinc/57/22/83/385572283.db2.gz UBRWQVKIYSDXGQ-JKSUJKDBSA-N 0 1 258.365 2.541 20 30 CFEDMN N#Cc1ccc(CN2CC[C@H](C(F)(F)F)[C@@H](CO)C2)cc1 ZINC000286278064 385582228 /nfs/dbraw/zinc/58/22/28/385582228.db2.gz BQEMUJNUJHYBEU-KGLIPLIRSA-N 0 1 298.308 2.551 20 30 CFEDMN N#Cc1ccc(CN2CC[C@H](C(F)(F)F)[C@H](CO)C2)cc1 ZINC000286278058 385582300 /nfs/dbraw/zinc/58/23/00/385582300.db2.gz BQEMUJNUJHYBEU-KBPBESRZSA-N 0 1 298.308 2.551 20 30 CFEDMN C=CCS(=O)(=O)CCN[C@@H]1CCc2cc(Cl)ccc21 ZINC000272798716 385619336 /nfs/dbraw/zinc/61/93/36/385619336.db2.gz AWVFDXVNCMSSAJ-CQSZACIVSA-N 0 1 299.823 2.518 20 30 CFEDMN N#Cc1ccc(F)c(CN2CCC(CCCO)CC2)c1 ZINC000272767732 385608904 /nfs/dbraw/zinc/60/89/04/385608904.db2.gz AKQJZOHXXUEKFJ-UHFFFAOYSA-N 0 1 276.355 2.682 20 30 CFEDMN C=CCS(=O)(=O)CCNCc1csc2ccccc12 ZINC000272877330 385639530 /nfs/dbraw/zinc/63/95/30/385639530.db2.gz UQQMPUOUUYCHLP-UHFFFAOYSA-N 0 1 295.429 2.592 20 30 CFEDMN C#CCC(C)(C)C(=O)NC[C@@H](c1ccsc1)N(C)C ZINC000274308161 385762021 /nfs/dbraw/zinc/76/20/21/385762021.db2.gz WLJMJRWVGVYSQA-ZDUSSCGKSA-N 0 1 278.421 2.517 20 30 CFEDMN C=CC[C@H](C)NS(=O)(=O)c1c(Cl)ccc(F)c1F ZINC000287087599 385778485 /nfs/dbraw/zinc/77/84/85/385778485.db2.gz YLEOOKLLWVESJV-ZETCQYMHSA-N 0 1 295.738 2.861 20 30 CFEDMN C=C(C)[C@H](NC(=O)[C@H]1CCCN1C)c1ccc(F)c(F)c1 ZINC000274626479 385836893 /nfs/dbraw/zinc/83/68/93/385836893.db2.gz MMLSYZSLGDCAGF-CABCVRRESA-N 0 1 294.345 2.792 20 30 CFEDMN C=C(C)CCN1CCN(C(=O)c2ccc(F)cc2F)CC1 ZINC000274757291 385865141 /nfs/dbraw/zinc/86/51/41/385865141.db2.gz CPPLUYYEUOMRFC-UHFFFAOYSA-N 0 1 294.345 2.689 20 30 CFEDMN C=CC[C@@H](C(=O)NCc1cn[nH]c1C)c1ccccc1 ZINC000275158627 385947781 /nfs/dbraw/zinc/94/77/81/385947781.db2.gz QTZSBKACWYMYBY-OAHLLOKOSA-N 0 1 269.348 2.694 20 30 CFEDMN CCC#C[C@@H](C)N1CCC([C@](C)(O)C(F)(F)F)CC1 ZINC000681034744 542402597 /nfs/dbraw/zinc/40/25/97/542402597.db2.gz KVQLJCCRLVKEKG-YPMHNXCESA-N 0 1 277.330 2.814 20 30 CFEDMN C#CCC1(C(=O)N[C@@H](C)Cc2cc(C)[nH]n2)CCCCC1 ZINC000276652298 386005264 /nfs/dbraw/zinc/00/52/64/386005264.db2.gz MPLMWCSHLMOMJH-ZDUSSCGKSA-N 0 1 287.407 2.739 20 30 CFEDMN C=C(C)[C@H](NC(=O)[C@H](C)N(C)C)c1ccc(F)c(F)c1 ZINC000681358710 542443249 /nfs/dbraw/zinc/44/32/49/542443249.db2.gz OPFLIBPKSVLJSC-HZMBPMFUSA-N 0 1 282.334 2.648 20 30 CFEDMN C=CCN1CC[C@@H](N[C@H](C)c2cc3ccccc3o2)C1=O ZINC000281253985 195168663 /nfs/dbraw/zinc/16/86/63/195168663.db2.gz HAGJIOJNCODXMX-TZMCWYRMSA-N 0 1 284.359 2.870 20 30 CFEDMN C=CC[C@@H](C)NC(=O)NC[C@@H](c1ccc(F)cc1)N(C)C ZINC000116972157 260021033 /nfs/dbraw/zinc/02/10/33/260021033.db2.gz IQPVHNSDICUZFU-DOMZBBRYSA-N 0 1 293.386 2.692 20 30 CFEDMN COc1ccc(C#N)cc1CN1CC[C@H](OCC(C)C)C1 ZINC000156929485 533269593 /nfs/dbraw/zinc/26/95/93/533269593.db2.gz CMNFAYGNLYEBNQ-INIZCTEOSA-N 0 1 288.391 2.814 20 30 CFEDMN C[C@@H](NCc1cccc(C#N)c1)c1cncc(F)c1 ZINC000151389519 533453464 /nfs/dbraw/zinc/45/34/64/533453464.db2.gz DPIRKZBHSJMYCS-LLVKDONJSA-N 0 1 255.296 2.943 20 30 CFEDMN C[C@H]1CCN(Cc2ccccc2C#N)C[C@@H]1n1ccnc1 ZINC000156494789 533640549 /nfs/dbraw/zinc/64/05/49/533640549.db2.gz JHONGLBOUQTFHH-YOEHRIQHSA-N 0 1 280.375 2.838 20 30 CFEDMN CN1Cc2ccccc2[C@H](Nc2ccc(C#N)nc2)C1 ZINC000366759764 130223099 /nfs/dbraw/zinc/22/30/99/130223099.db2.gz NOXOEGCNVQCRTN-MRXNPFEDSA-N 0 1 264.332 2.552 20 30 CFEDMN C#CCOc1ccccc1CNCc1ccccc1 ZINC000020086576 393485515 /nfs/dbraw/zinc/48/55/15/393485515.db2.gz LEFRBNKPURQLMC-UHFFFAOYSA-N 0 1 251.329 2.988 20 30 CFEDMN C#CCOc1ccccc1CNCc1ccc(OC)cc1 ZINC000020088421 393486479 /nfs/dbraw/zinc/48/64/79/393486479.db2.gz PXOBWXZMYVBJPG-UHFFFAOYSA-N 0 1 281.355 2.997 20 30 CFEDMN C=C(C)CN(CC)[C@@H](C)C(=O)NCCc1ccc(F)cc1 ZINC000302744737 393493472 /nfs/dbraw/zinc/49/34/72/393493472.db2.gz OPNVTDYMRKQQNU-AWEZNQCLSA-N 0 1 292.398 2.771 20 30 CFEDMN C=C(C)CN(CC)[C@H](C)C(=O)NC1CCCCC1 ZINC000302742791 393493658 /nfs/dbraw/zinc/49/36/58/393493658.db2.gz MHJQNWDRAGANTH-CYBMUJFWSA-N 0 1 252.402 2.722 20 30 CFEDMN C=C(C)CN(C)CC(=O)N[C@H](c1ccccc1)C1CC1 ZINC000181294902 393493945 /nfs/dbraw/zinc/49/39/45/393493945.db2.gz STDISMGANRSXKO-QGZVFWFLSA-N 0 1 272.392 2.762 20 30 CFEDMN CC[C@@H]1CCCC[C@@H]1NC(=O)N[C@H]1CCc2nc[nH]c2C1 ZINC000329640716 393544995 /nfs/dbraw/zinc/54/49/95/393544995.db2.gz ZXWMWAVVBKCHCS-AGIUHOORSA-N 0 1 290.411 2.739 20 30 CFEDMN CCSCC[C@H](C)NCc1nc(C#N)cs1 ZINC000309984641 393518392 /nfs/dbraw/zinc/51/83/92/393518392.db2.gz XUBKIEFNNYEYGP-VIFPVBQESA-N 0 1 255.412 2.636 20 30 CFEDMN CCC[C@]1(NC(=O)[C@@H]2CCCc3[nH]ncc32)CCOC1 ZINC000329378946 393533297 /nfs/dbraw/zinc/53/32/97/393533297.db2.gz MTQNEYKDFURRQC-ABAIWWIYSA-N 0 1 277.368 2.745 20 30 CFEDMN O=C(N[C@H]1CCCc2cn[nH]c21)c1ccc2c(c1)COC2 ZINC000330131497 393551454 /nfs/dbraw/zinc/55/14/54/393551454.db2.gz PRIRTFCHOQESAP-AWEZNQCLSA-N 0 1 283.331 2.822 20 30 CFEDMN CC[C@@H]1OCCC[C@@H]1C(=O)Nc1nc(C2CCC2)n[nH]1 ZINC000330263052 393551703 /nfs/dbraw/zinc/55/17/03/393551703.db2.gz WAUGUEVZHVHXLU-QWRGUYRKSA-N 0 1 278.356 2.865 20 30 CFEDMN CC[C@@H]1OCCC[C@@H]1C(=O)Nc1n[nH]c(C2CCC2)n1 ZINC000330263052 393551705 /nfs/dbraw/zinc/55/17/05/393551705.db2.gz WAUGUEVZHVHXLU-QWRGUYRKSA-N 0 1 278.356 2.865 20 30 CFEDMN CCC1(C)CCN(C(=O)N[C@H]2CCc3nc[nH]c3C2)CC1 ZINC000329753157 393548004 /nfs/dbraw/zinc/54/80/04/393548004.db2.gz WOOSFOYYZBGVMM-LBPRGKRZSA-N 0 1 290.411 2.693 20 30 CFEDMN N#CCc1ccc(NC(=O)c2ccc(C#N)c(O)c2)cc1 ZINC000188226646 393562549 /nfs/dbraw/zinc/56/25/49/393562549.db2.gz NFDDITGBQRLYRM-UHFFFAOYSA-N 0 1 277.283 2.582 20 30 CFEDMN CC(C)(O)CN(Cc1ccc(Cl)cc1C#N)C1CC1 ZINC000189946278 393575712 /nfs/dbraw/zinc/57/57/12/393575712.db2.gz BWOCLUYKGPWPCF-UHFFFAOYSA-N 0 1 278.783 2.947 20 30 CFEDMN COC(=O)C[C@H]1CCCCN1Cc1ccc(C#N)cc1F ZINC000048739201 393597773 /nfs/dbraw/zinc/59/77/73/393597773.db2.gz GAXSIBIJFKCSRM-CQSZACIVSA-N 0 1 290.338 2.615 20 30 CFEDMN Cc1occc1CN(C)C[C@@H](O)c1ccc(C#N)cc1 ZINC000048912787 393608686 /nfs/dbraw/zinc/60/86/86/393608686.db2.gz SCAQWIBABVNVRM-MRXNPFEDSA-N 0 1 270.332 2.625 20 30 CFEDMN Cc1ccn(C)c1C(=O)C(C#N)c1nc2ccccc2o1 ZINC000190668875 393582795 /nfs/dbraw/zinc/58/27/95/393582795.db2.gz REYOPCIRCLLJNL-LLVKDONJSA-N 0 1 279.299 2.965 20 30 CFEDMN Cc1ccn(C)c1C(O)=C(C#N)c1nc2ccccc2o1 ZINC000190668875 393582805 /nfs/dbraw/zinc/58/28/05/393582805.db2.gz REYOPCIRCLLJNL-LLVKDONJSA-N 0 1 279.299 2.965 20 30 CFEDMN C[C@@H]1CCN(Cc2ccc(C#N)s2)CCS1 ZINC000190693173 393584058 /nfs/dbraw/zinc/58/40/58/393584058.db2.gz RNDNPBWYGJMMJW-SNVBAGLBSA-N 0 1 252.408 2.947 20 30 CFEDMN Cc1n[nH]c(C(C)C)c1C(=O)N1CCc2ccc(C#N)cc21 ZINC000334280757 393588775 /nfs/dbraw/zinc/58/87/75/393588775.db2.gz WRPRVGIAQRUSQY-UHFFFAOYSA-N 0 1 294.358 2.916 20 30 CFEDMN CC(C)[C@@H](NCCC1(C#N)CCCCC1)c1nncn1C ZINC000411721946 393743014 /nfs/dbraw/zinc/74/30/14/393743014.db2.gz PSMPVEYEBRMHCJ-CQSZACIVSA-N 0 1 289.427 2.966 20 30 CFEDMN CC#CCN(C)CCc1nc(-c2cccc(Cl)c2)no1 ZINC000411775225 393747055 /nfs/dbraw/zinc/74/70/55/393747055.db2.gz XIKZDUJQVBVTOJ-UHFFFAOYSA-N 0 1 289.766 2.888 20 30 CFEDMN N#CCc1ccc(CN2CCOC3(CCCC3)C2)cc1 ZINC000335659624 393687407 /nfs/dbraw/zinc/68/74/07/393687407.db2.gz KETIWKXMOXPFLE-UHFFFAOYSA-N 0 1 270.376 2.898 20 30 CFEDMN O[C@@H]1C[C@H](c2ccccc2)N(CC#Cc2ccccc2)C1 ZINC000411923455 393758708 /nfs/dbraw/zinc/75/87/08/393758708.db2.gz KPCPZGZMNRHNMJ-RTBURBONSA-N 0 1 277.367 2.846 20 30 CFEDMN C[C@@H]1CN(C[C@H](C#N)CCC#N)CCN1Cc1ccccc1 ZINC000411978762 393760069 /nfs/dbraw/zinc/76/00/69/393760069.db2.gz BVQPHIDVYIGCQN-AEFFLSMTSA-N 0 1 296.418 2.636 20 30 CFEDMN Cc1ccc2nc(NC(=O)C3(C#N)CCCC3)[nH]c2c1 ZINC000336149114 393720490 /nfs/dbraw/zinc/72/04/90/393720490.db2.gz WUGKFGKZVFZFJZ-UHFFFAOYSA-N 0 1 268.320 2.894 20 30 CFEDMN C=CCOCCN1CCN(Cc2cccc(Cl)c2)CC1 ZINC000338884626 393804436 /nfs/dbraw/zinc/80/44/36/393804436.db2.gz XVRKNWNHEXGHKQ-UHFFFAOYSA-N 0 1 294.826 2.660 20 30 CFEDMN C=CCCCCNC(=O)c1n[nH]nc1-c1ccccc1 ZINC000338868269 393804697 /nfs/dbraw/zinc/80/46/97/393804697.db2.gz YVCKEDIJQTVKHQ-UHFFFAOYSA-N 0 1 270.336 2.558 20 30 CFEDMN CCC[C@H](N[C@H]1CC[C@@H](C#N)C1)c1nnc2ccccn21 ZINC000339084480 393816614 /nfs/dbraw/zinc/81/66/14/393816614.db2.gz XNSJMJOOEUTSKG-RDBSUJKOSA-N 0 1 283.379 2.852 20 30 CFEDMN N#C[C@@H]1CC[C@H](N2CCO[C@H](C3CCCCC3)C2)C1 ZINC000339089147 393818486 /nfs/dbraw/zinc/81/84/86/393818486.db2.gz LTVZZHLSFIZZOS-KBMXLJTQSA-N 0 1 262.397 2.960 20 30 CFEDMN C=CCCC[C@H](C)NS(=O)(=O)c1c(F)cccc1F ZINC000342986439 393876707 /nfs/dbraw/zinc/87/67/07/393876707.db2.gz BPMNMXBMCFWUMY-JTQLQIEISA-N 0 1 289.347 2.988 20 30 CFEDMN CCN(C[C@H](C)C#N)C(=O)[C@@H]1CCCN1Cc1ccccc1 ZINC000343217814 393881987 /nfs/dbraw/zinc/88/19/87/393881987.db2.gz PNRPSBMJSWAECJ-WBVHZDCISA-N 0 1 299.418 2.659 20 30 CFEDMN C=CCC[C@@H](C(=O)N1CC(N(C)C)C1)c1ccccc1 ZINC000427536933 393894344 /nfs/dbraw/zinc/89/43/44/393894344.db2.gz MFVFOSRAEPHNSW-MRXNPFEDSA-N 0 1 272.392 2.509 20 30 CFEDMN C=C(C)CN(CC)CC(=O)N(CC(F)(F)F)C(C)C ZINC000114712629 393901128 /nfs/dbraw/zinc/90/11/28/393901128.db2.gz YKNPTDWDUVMJRG-UHFFFAOYSA-N 0 1 280.334 2.684 20 30 CFEDMN C=C(C)CN(CC)CC(=O)N(CC(C)C)C(C)C ZINC000114712451 393901568 /nfs/dbraw/zinc/90/15/68/393901568.db2.gz SZAFGSUIBBZPPM-UHFFFAOYSA-N 0 1 254.418 2.777 20 30 CFEDMN CO[C@H]1[C@H]2[C@H]3C[C@@H]1C[C@@H]3CN2Cc1cccc(F)c1C#N ZINC000428936751 393923254 /nfs/dbraw/zinc/92/32/54/393923254.db2.gz BXCGSDSFPKQFRP-CMSWKTDVSA-N 0 1 286.350 2.553 20 30 CFEDMN CCC[C@]1(CO)CCCN1Cc1cccc(F)c1C#N ZINC000428965023 393927385 /nfs/dbraw/zinc/92/73/85/393927385.db2.gz PXOSIBQTOXXPJK-MRXNPFEDSA-N 0 1 276.355 2.824 20 30 CFEDMN C[C@@H]1CC[C@H](N(CCO)Cc2cccc(F)c2C#N)C1 ZINC000428973369 393928859 /nfs/dbraw/zinc/92/88/59/393928859.db2.gz YMGRVVOOZZUFHU-OCCSQVGLSA-N 0 1 276.355 2.680 20 30 CFEDMN CC[C@@H](C#N)S(=O)(=O)Nc1ccc2nc(C)sc2c1 ZINC000416939032 393946140 /nfs/dbraw/zinc/94/61/40/393946140.db2.gz GHIDCNXKOHOJGZ-JTQLQIEISA-N 0 1 295.389 2.649 20 30 CFEDMN C[C@H](NCC(=O)N[C@H]1CCCC[C@@H]1C)c1ccc(C#N)cc1 ZINC000271702001 394021626 /nfs/dbraw/zinc/02/16/26/394021626.db2.gz UGILUVNBAANYJQ-ZQIUZPCESA-N 0 1 299.418 2.904 20 30 CFEDMN CSCC[C@H](C)N(C)CC(=O)Nc1ccc(C#N)cc1 ZINC000126361305 394026865 /nfs/dbraw/zinc/02/68/65/394026865.db2.gz QBDVKJGBRRPSPX-LBPRGKRZSA-N 0 1 291.420 2.570 20 30 CFEDMN CC[C@@H]1CN(Cc2cccc(C#N)c2)[C@@H](CC)CN1C(C)=O ZINC000354117948 394042252 /nfs/dbraw/zinc/04/22/52/394042252.db2.gz UIXPNCGVLAOJGM-ZWKOTPCHSA-N 0 1 299.418 2.780 20 30 CFEDMN C#C[C@@H](C)N(C)Cc1ccc(C(=O)OC)c(Cl)c1 ZINC000491251895 394046821 /nfs/dbraw/zinc/04/68/21/394046821.db2.gz CWZNSQGLDGEZIW-SNVBAGLBSA-N 0 1 265.740 2.580 20 30 CFEDMN C#CCN1CCC(C(=O)OCCCCCC=C)CC1 ZINC000491727840 394057623 /nfs/dbraw/zinc/05/76/23/394057623.db2.gz CJEWQJFVFNUNNR-UHFFFAOYSA-N 0 1 263.381 2.621 20 30 CFEDMN C#C[C@@H](C)N(C)C(=O)c1cccc(C(F)(F)F)c1O ZINC000491732232 394057688 /nfs/dbraw/zinc/05/76/88/394057688.db2.gz QTVVICUNHVPXDF-MRVPVSSYSA-N 0 1 271.238 2.505 20 30 CFEDMN C[C@H](CCC#N)N1CCc2c(cccc2N2CCOC2=O)C1 ZINC000492797315 394076747 /nfs/dbraw/zinc/07/67/47/394076747.db2.gz YEHGJCLKOMGGNK-CYBMUJFWSA-N 0 1 299.374 2.694 20 30 CFEDMN C=CCN1CC[C@H](N2CCC[C@H]2c2ccsc2)C1=O ZINC000281976965 394104426 /nfs/dbraw/zinc/10/44/26/394104426.db2.gz LRKGPCKMHTWUDK-KBPBESRZSA-N 0 1 276.405 2.672 20 30 CFEDMN C=CCCOCCN[C@@H](C)c1ccc(C#N)cc1F ZINC000358597806 394110176 /nfs/dbraw/zinc/11/01/76/394110176.db2.gz YBNIGFPGUHKMJV-LBPRGKRZSA-N 0 1 262.328 2.941 20 30 CFEDMN C[C@H]1CN(C(=O)CCCC#N)[C@@H](C)CN1Cc1ccccc1 ZINC000360391887 394151203 /nfs/dbraw/zinc/15/12/03/394151203.db2.gz HKIMSIMVBKFYCE-HOTGVXAUSA-N 0 1 299.418 2.802 20 30 CFEDMN C=CCOc1ccccc1CN[C@@H]1C[C@@H](OCC)[C@@H]1OC ZINC000361164967 394167681 /nfs/dbraw/zinc/16/76/81/394167681.db2.gz HRMSECGFLDIMNB-DJIMGWMZSA-N 0 1 291.391 2.533 20 30 CFEDMN Cc1cc([C@@H]2CCCN(c3ccc(C)c(C#N)n3)C2)[nH]n1 ZINC000364277874 394204570 /nfs/dbraw/zinc/20/45/70/394204570.db2.gz AQWRHHHTMMQDNA-CYBMUJFWSA-N 0 1 281.363 2.677 20 30 CFEDMN N#Cc1ccc(CNCc2ccc([N+](=O)[O-])cc2)s1 ZINC000135682270 394224878 /nfs/dbraw/zinc/22/48/78/394224878.db2.gz XBINONAJQGQNEO-UHFFFAOYSA-N 0 1 273.317 2.818 20 30 CFEDMN Fc1ccc(C#CCN2CCOC[C@H](C3CCC3)C2)cc1 ZINC000292060660 394269953 /nfs/dbraw/zinc/26/99/53/394269953.db2.gz CMFGBFJSCJGARW-QGZVFWFLSA-N 0 1 287.378 2.926 20 30 CFEDMN CN(Cc1ccc(F)cc1C#N)CC1CCOCC1 ZINC000156104626 394329626 /nfs/dbraw/zinc/32/96/26/394329626.db2.gz ZNFXPQKCGJYRNK-UHFFFAOYSA-N 0 1 262.328 2.556 20 30 CFEDMN C=CCOc1ccc(CN(C)Cc2cnn(C)c2)cc1 ZINC000505616531 394367421 /nfs/dbraw/zinc/36/74/21/394367421.db2.gz WFPAIVWRYMXAIV-UHFFFAOYSA-N 0 1 271.364 2.617 20 30 CFEDMN CC(C)CCN(CCC#N)C[C@@H](O)Cc1ccccc1 ZINC000173545370 394376275 /nfs/dbraw/zinc/37/62/75/394376275.db2.gz FPAPWCNAVIOTQY-KRWDZBQOSA-N 0 1 274.408 2.852 20 30 CFEDMN Cc1ccccc1CN1CCN(c2cnccc2C#N)CC1 ZINC000271302185 135094238 /nfs/dbraw/zinc/09/42/38/135094238.db2.gz RBAJLLZUKAAMRU-UHFFFAOYSA-N 0 1 292.386 2.584 20 30 CFEDMN N#Cc1cccc(CNC[C@H](n2cccn2)C(F)(F)F)c1 ZINC000527743242 394403091 /nfs/dbraw/zinc/40/30/91/394403091.db2.gz MQTGMXOQYBUJLH-ZDUSSCGKSA-N 0 1 294.280 2.648 20 30 CFEDMN CCN(Cc1cccc(C(=O)OC)c1C#N)C1CCC1 ZINC000535965499 394550596 /nfs/dbraw/zinc/55/05/96/394550596.db2.gz ZBYDUVZSVNKFFB-UHFFFAOYSA-N 0 1 272.348 2.719 20 30 CFEDMN CC(=O)c1ccc(O)c(NC(=O)Cc2cccc(C#N)c2)c1 ZINC000540976157 394661646 /nfs/dbraw/zinc/66/16/46/394661646.db2.gz FPUJVUBNBKLAMP-UHFFFAOYSA-N 0 1 294.310 2.648 20 30 CFEDMN CC[C@@H]1[C@@H](C)CCN1Cc1cccc(C(=O)OC)c1C#N ZINC000547847337 394896228 /nfs/dbraw/zinc/89/62/28/394896228.db2.gz GOAPQTLVJHUKCQ-BLLLJJGKSA-N 0 1 286.375 2.965 20 30 CFEDMN C[C@@H]1C[C@@H](C)N1[C@H]1CCCN(c2ccc(C#N)cc2)C1=O ZINC000548096924 394909972 /nfs/dbraw/zinc/90/99/72/394909972.db2.gz VNKCXQRTTSCMLW-IOASZLSFSA-N 0 1 283.375 2.536 20 30 CFEDMN Cc1cnn(C)c1C(=O)[C@@H](C#N)c1nc(C2CC2)cs1 ZINC000647380279 395320258 /nfs/dbraw/zinc/32/02/58/395320258.db2.gz ZIWCHXCHQPCJKE-SNVBAGLBSA-N 0 1 286.360 2.553 20 30 CFEDMN Cc1cnn(C)c1C(=O)C(C#N)c1nc(C2CC2)cs1 ZINC000647380279 395320262 /nfs/dbraw/zinc/32/02/62/395320262.db2.gz ZIWCHXCHQPCJKE-SNVBAGLBSA-N 0 1 286.360 2.553 20 30 CFEDMN C=C(C)[C@@H](CO)Sc1nc2ccc(OCC)cc2[nH]1 ZINC000649397268 395485407 /nfs/dbraw/zinc/48/54/07/395485407.db2.gz CMOKCDSTRIQXSU-CYBMUJFWSA-N 0 1 278.377 2.991 20 30 CFEDMN C=C(C)[C@H](CO)Sc1nc(-c2ccc(OC)cc2)n[nH]1 ZINC000649416343 395489989 /nfs/dbraw/zinc/48/99/89/395489989.db2.gz NSISCNZDTXZOKR-LBPRGKRZSA-N 0 1 291.376 2.509 20 30 CFEDMN C=CCNC(=O)[C@H](C)N[C@@H](CC)c1ccccc1F ZINC000649738658 395563844 /nfs/dbraw/zinc/56/38/44/395563844.db2.gz PZMJHMKQAHQWDZ-FZMZJTMJSA-N 0 1 264.344 2.557 20 30 CFEDMN C=C(C)COc1cccc(NC(=O)CCc2cnc[nH]2)c1 ZINC000193113966 543087881 /nfs/dbraw/zinc/08/78/81/543087881.db2.gz UMFDDCNSWGAKEZ-UHFFFAOYSA-N 0 1 285.347 2.936 20 30 CFEDMN C=CCOCCNCc1ccc(OC)c(OC)c1Cl ZINC000381792232 543090833 /nfs/dbraw/zinc/09/08/33/543090833.db2.gz HGSYAWACEAINRG-UHFFFAOYSA-N 0 1 285.771 2.649 20 30 CFEDMN Cc1ccc(C(=O)Nc2nc(-c3ccccn3)n[nH]2)s1 ZINC000047343312 397585279 /nfs/dbraw/zinc/58/52/79/397585279.db2.gz SNLCUHYRNVASGG-UHFFFAOYSA-N 0 1 285.332 2.873 20 30 CFEDMN C=C(C)[C@@H](NC[C@@H](COC)OC)c1ccc(F)c(F)c1 ZINC000660312070 413238354 /nfs/dbraw/zinc/23/83/54/413238354.db2.gz NYCGWQYMVMNZQE-SWLSCSKDSA-N 0 1 285.334 2.833 20 30 CFEDMN C[C@H]1CN(Cc2ccc(C#N)cc2C(F)(F)F)C[C@H]1CO ZINC000356400323 155254610 /nfs/dbraw/zinc/25/46/10/155254610.db2.gz UVAFJEPTBSPEOV-GWCFXTLKSA-N 0 1 298.308 2.637 20 30 CFEDMN N#Cc1ccc(CNC[C@@H]2COc3ccccc3O2)c(F)c1 ZINC000343069901 154103942 /nfs/dbraw/zinc/10/39/42/154103942.db2.gz FUSGLMWNTAABQY-CQSZACIVSA-N 0 1 298.317 2.627 20 30 CFEDMN C[C@@H](CNCc1cc(C#N)cs1)[N@@H+]1CCCC[C@H]1C ZINC000343275329 154164109 /nfs/dbraw/zinc/16/41/09/154164109.db2.gz HMXNZUUVUZMXON-OLZOCXBDSA-N 0 1 277.437 2.972 20 30 CFEDMN C[C@H](N[C@@H]1CCCN(c2ccccc2C#N)C1)c1ncc[nH]1 ZINC000367533419 156344830 /nfs/dbraw/zinc/34/48/30/156344830.db2.gz KRTIYDNEMCBEFK-DZGCQCFKSA-N 0 1 295.390 2.601 20 30 CFEDMN C[C@@H](N[C@@H](CO)CC(F)(F)F)c1cccc(C#N)c1 ZINC000344302011 162002949 /nfs/dbraw/zinc/00/29/49/162002949.db2.gz VLFRSAIQWDTZHT-BXKDBHETSA-N 0 1 272.270 2.522 20 30 CFEDMN CC(C)OCCN[C@@H](C)c1ccc(C#N)cc1F ZINC000344325213 162010037 /nfs/dbraw/zinc/01/00/37/162010037.db2.gz AAHRMUTTZCCTSE-NSHDSACASA-N 0 1 250.317 2.773 20 30 CFEDMN N#Cc1cccc(CN[C@@H](CO)c2ccc(F)cc2)c1 ZINC000344391918 162032165 /nfs/dbraw/zinc/03/21/65/162032165.db2.gz QKDXCPJQQFEALD-INIZCTEOSA-N 0 1 270.307 2.521 20 30 CFEDMN Cc1[nH]nc2cc(NC(=O)c3ccc(C#N)o3)ccc12 ZINC000344945149 162151400 /nfs/dbraw/zinc/15/14/00/162151400.db2.gz DSOODBHFFGKBIW-UHFFFAOYSA-N 0 1 266.260 2.588 20 30 CFEDMN CCN1C[C@@H](C)N(C(=O)Nc2cccc(C#N)c2)C[C@H]1C ZINC000345873987 162268219 /nfs/dbraw/zinc/26/82/19/162268219.db2.gz KNOAWDLQRMSFNE-CHWSQXEVSA-N 0 1 286.379 2.505 20 30 CFEDMN C=CCCn1cc(CN(C)[C@@H](C)CCCC)nn1 ZINC000653684817 413449112 /nfs/dbraw/zinc/44/91/12/413449112.db2.gz BKBMMSLEADHBBL-ZDUSSCGKSA-N 0 1 250.390 2.865 20 30 CFEDMN COc1cc([C@@H](C)NCc2ccc(C#N)cc2)ccn1 ZINC000347563060 162722860 /nfs/dbraw/zinc/72/28/60/162722860.db2.gz SVESGYJBDAEMMH-GFCCVEGCSA-N 0 1 267.332 2.813 20 30 CFEDMN CC(C)C[C@H]1C[C@H](NCc2nc(C#N)cs2)CCO1 ZINC000352810738 163239140 /nfs/dbraw/zinc/23/91/40/163239140.db2.gz OPQDWOWHKMIBQG-YPMHNXCESA-N 0 1 279.409 2.698 20 30 CFEDMN CCC[C@@]1(NCc2ccc(F)cc2C#N)CCOC1 ZINC000352830921 163245944 /nfs/dbraw/zinc/24/59/44/163245944.db2.gz KRAUDBWNQLHMDZ-OAHLLOKOSA-N 0 1 262.328 2.746 20 30 CFEDMN C[C@@H](CNCc1nc(C#N)cs1)Oc1ccc(F)cc1 ZINC000352835742 163247264 /nfs/dbraw/zinc/24/72/64/163247264.db2.gz JDFQYFNNXRCAGF-JTQLQIEISA-N 0 1 291.351 2.711 20 30 CFEDMN N#Cc1csc(CNCc2cnn3ccccc23)c1 ZINC000353032215 163293104 /nfs/dbraw/zinc/29/31/04/163293104.db2.gz FBIZFLCKXSRZKO-UHFFFAOYSA-N 0 1 268.345 2.557 20 30 CFEDMN CN(CCCC(=O)OC(C)(C)C)Cc1ccc(C#N)o1 ZINC000353453169 163367241 /nfs/dbraw/zinc/36/72/41/163367241.db2.gz DOEMRQKQFMWUTL-UHFFFAOYSA-N 0 1 278.352 2.705 20 30 CFEDMN CN1CCN(Cc2ccc(C#N)o2)C[C@H]1Cc1ccccc1 ZINC000284318973 196028528 /nfs/dbraw/zinc/02/85/28/196028528.db2.gz CMNHYEWTVPJDRY-MRXNPFEDSA-N 0 1 295.386 2.510 20 30 CFEDMN C[C@@H](C(=O)Nc1cccc(C#N)c1)N1CCCCCC1 ZINC000007378118 170281452 /nfs/dbraw/zinc/28/14/52/170281452.db2.gz GKBAHTFTLJABNT-ZDUSSCGKSA-N 0 1 271.364 2.761 20 30 CFEDMN C[C@@H](C(=O)Nc1cccc(C#N)c1)N1CCC[C@@H](C)C1 ZINC000007384172 170282180 /nfs/dbraw/zinc/28/21/80/170282180.db2.gz UZFVICQWFIDXFY-OLZOCXBDSA-N 0 1 271.364 2.617 20 30 CFEDMN C=CCOc1ccc(CNCc2ccc(OC)nc2)cc1 ZINC000020186513 171050704 /nfs/dbraw/zinc/05/07/04/171050704.db2.gz JZFZHHDPQUVNOI-UHFFFAOYSA-N 0 1 284.359 2.945 20 30 CFEDMN Cc1ccc(-c2n[nH]c(NC(=O)[C@H]3CCCO3)n2)cc1 ZINC000028788350 171575005 /nfs/dbraw/zinc/57/50/05/171575005.db2.gz SCNMEEUIAPFHRR-LLVKDONJSA-N 0 1 272.308 2.547 20 30 CFEDMN CC#CCN[C@@H](c1cncc(Br)c1)C1CC1 ZINC000284968624 196166531 /nfs/dbraw/zinc/16/65/31/196166531.db2.gz XNYJRTBAGDREGQ-CYBMUJFWSA-N 0 1 279.181 2.908 20 30 CFEDMN C=CCNC(=O)[C@H](C)N[C@H](CC)c1ccccc1F ZINC000653793352 413500721 /nfs/dbraw/zinc/50/07/21/413500721.db2.gz PZMJHMKQAHQWDZ-SMDDNHRTSA-N 0 1 264.344 2.557 20 30 CFEDMN C=CC[C@H]1CCCC[C@H]1NC(=O)NCc1cc(C)[nH]n1 ZINC000660716735 413511284 /nfs/dbraw/zinc/51/12/84/413511284.db2.gz YDMZDXSTZDJVSM-GXTWGEPZSA-N 0 1 276.384 2.652 20 30 CFEDMN C[C@H](O)CN(CC#Cc1ccccc1Cl)C1CC1 ZINC000653902329 413579629 /nfs/dbraw/zinc/57/96/29/413579629.db2.gz QHTCFPNPGUPKKQ-LBPRGKRZSA-N 0 1 263.768 2.537 20 30 CFEDMN CN(CC#Cc1ccc(F)cc1)[C@@H](CO)Cc1ccccc1 ZINC000661090317 413746549 /nfs/dbraw/zinc/74/65/49/413746549.db2.gz AHEUBCAJKSKEMT-LJQANCHMSA-N 0 1 297.373 2.713 20 30 CFEDMN C=CCCC(C)(C)NC(=O)N[C@H](C)Cc1cc(C)[nH]n1 ZINC000664476995 413791674 /nfs/dbraw/zinc/79/16/74/413791674.db2.gz GWXKRRQGJAGYRW-LLVKDONJSA-N 0 1 278.400 2.693 20 30 CFEDMN C=CC[C@@H]1CCCC[C@@H]1[NH2+]Cc1nc(CC)cc(=O)[n-]1 ZINC000661113895 413766766 /nfs/dbraw/zinc/76/67/66/413766766.db2.gz CITDFLLCVOXJBC-OCCSQVGLSA-N 0 1 275.396 2.969 20 30 CFEDMN C=CCC[C@@H](N[C@H]1CC(=O)N(C2CC2)C1)c1ccco1 ZINC000285494412 196303914 /nfs/dbraw/zinc/30/39/14/196303914.db2.gz AMYQQNRXASLSNI-GXTWGEPZSA-N 0 1 274.364 2.640 20 30 CFEDMN C=CCCCCCNC(=O)N[C@H]1C[C@H](C)[N@H+](C2CC2)C1 ZINC000654482068 413880414 /nfs/dbraw/zinc/88/04/14/413880414.db2.gz WUSDLPGVQIPWOK-KBPBESRZSA-N 0 1 279.428 2.657 20 30 CFEDMN C=CCN(Cc1cc(F)cc(F)c1)[C@@H](C)COC ZINC000661241301 413840115 /nfs/dbraw/zinc/84/01/15/413840115.db2.gz VIWQZNXXVBQCAL-NSHDSACASA-N 0 1 255.308 2.988 20 30 CFEDMN C=CCN(Cc1cnn(Cc2ccccc2)c1)[C@@H](C)COC ZINC000661241326 413841746 /nfs/dbraw/zinc/84/17/46/413841746.db2.gz VVDDAERWCUQMHO-INIZCTEOSA-N 0 1 299.418 2.954 20 30 CFEDMN C=CCN(CCC(=O)c1ccc(OC)cc1)[C@@H](C)COC ZINC000661240406 413843060 /nfs/dbraw/zinc/84/30/60/413843060.db2.gz OBIZWARWHKNVHJ-AWEZNQCLSA-N 0 1 291.391 2.791 20 30 CFEDMN C=CCN(Cc1sc(C)nc1C)[C@H](C)COC ZINC000661243832 413847309 /nfs/dbraw/zinc/84/73/09/413847309.db2.gz OGDSBOUKSWZGTM-SNVBAGLBSA-N 0 1 254.399 2.783 20 30 CFEDMN C=C1C[C@H]2CC[C@@H](C1)N2c1nc(N)nc2c1CCCC2 ZINC000664575775 413847953 /nfs/dbraw/zinc/84/79/53/413847953.db2.gz CZUSEPICLNFUSV-TXEJJXNPSA-N 0 1 270.380 2.625 20 30 CFEDMN C=CC[N@@H+](Cc1ccc(OC)cc1)[C@@H](CCC)C(=O)[O-] ZINC000652398743 413921208 /nfs/dbraw/zinc/92/12/08/413921208.db2.gz YRLPYIVZIMBCOL-HNNXBMFYSA-N 0 1 277.364 2.937 20 30 CFEDMN C=CC[C@H]1CCCN(CC(=O)Nc2ccccc2)C1 ZINC000661378950 413936183 /nfs/dbraw/zinc/93/61/83/413936183.db2.gz PDVXSJDWEGJSHQ-AWEZNQCLSA-N 0 1 258.365 2.913 20 30 CFEDMN C=CCCn1cc(CN2CCC[C@H](CC=C)C2)nn1 ZINC000661387447 413940507 /nfs/dbraw/zinc/94/05/07/413940507.db2.gz YSGYVNFPGPPWIQ-AWEZNQCLSA-N 0 1 260.385 2.642 20 30 CFEDMN C=CCCCC[N@@H+]1Cc2ccccc2C[C@@H]1C(=O)[O-] ZINC000652452175 413960802 /nfs/dbraw/zinc/96/08/02/413960802.db2.gz AWUXPEGNHVPGSI-OAHLLOKOSA-N 0 1 259.349 2.854 20 30 CFEDMN C=CCNC(=O)[C@H](C)N[C@@H](c1ccccc1F)C(C)C ZINC000661484489 414001785 /nfs/dbraw/zinc/00/17/85/414001785.db2.gz HLSJESZSVSXBAJ-SWLSCSKDSA-N 0 1 278.371 2.803 20 30 CFEDMN C=C[C@H](C)NC(=O)c1cccc(C(F)(F)F)c1O ZINC000654884167 414025915 /nfs/dbraw/zinc/02/59/15/414025915.db2.gz ZAXBZLOERWZIJJ-ZETCQYMHSA-N 0 1 259.227 2.715 20 30 CFEDMN C=CCN(CC(=O)Nc1ccc(Cl)cn1)C(C)(C)C ZINC000661756900 414195454 /nfs/dbraw/zinc/19/54/54/414195454.db2.gz WXSWFGNTNBVZLJ-UHFFFAOYSA-N 0 1 281.787 2.960 20 30 CFEDMN C=CCCCC[C@@H](C)[NH2+]Cc1nnc([C@H]2CCCO2)[n-]1 ZINC000655795764 414440197 /nfs/dbraw/zinc/44/01/97/414440197.db2.gz BEGPTEHUSGWVEQ-CHWSQXEVSA-N 0 1 278.400 2.881 20 30 CFEDMN C=CC[C@@H](CO)NCc1c(F)cc(C)cc1Cl ZINC000656541852 414602213 /nfs/dbraw/zinc/60/22/13/414602213.db2.gz RKOOWQQRFBWECK-JTQLQIEISA-N 0 1 257.736 2.814 20 30 CFEDMN C=CC[C@H]1CCCN(C(=O)[C@H](N)c2ccc(C)cc2)C1 ZINC000662857083 414622603 /nfs/dbraw/zinc/62/26/03/414622603.db2.gz CXIKVIDAUVTGSN-GOEBONIOSA-N 0 1 272.392 2.810 20 30 CFEDMN C=CC[C@H]1CCCC[C@H]1NC(=O)c1ccc(CN)o1 ZINC000662603144 414572499 /nfs/dbraw/zinc/57/24/99/414572499.db2.gz SZNOOMFMZZXPKA-WCQYABFASA-N 0 1 262.353 2.603 20 30 CFEDMN C=CC[C@H](Cc1ccccc1)n1cc([C@@H](C)NC)nn1 ZINC000656458093 414580964 /nfs/dbraw/zinc/58/09/64/414580964.db2.gz XKESMEKHIMBZQB-UKRRQHHQSA-N 0 1 270.380 2.918 20 30 CFEDMN C=CC[C@@H]1CCCN(C(=O)[C@@H](N)c2ccccc2)C1 ZINC000662637814 414583125 /nfs/dbraw/zinc/58/31/25/414583125.db2.gz YYMYRQMCLGQUJB-HIFRSBDPSA-N 0 1 258.365 2.501 20 30 CFEDMN C[C@H](CCC#N)[NH+]1CCC(C(=O)c2ccc([O-])cc2)CC1 ZINC000663154159 414655326 /nfs/dbraw/zinc/65/53/26/414655326.db2.gz GKTBVDCMNZAXES-CYBMUJFWSA-N 0 1 286.375 2.979 20 30 CFEDMN C[C@@H](N[C@@H](C)C(=O)N(C)CCC#N)c1ccccc1Cl ZINC000070786550 176005742 /nfs/dbraw/zinc/00/57/42/176005742.db2.gz QKRRJHAMQMPLIP-NEPJUHHUSA-N 0 1 293.798 2.751 20 30 CFEDMN C[C@@H](N[C@H](C)c1ccccc1Cl)C(=O)N(C)CCC#N ZINC000070786554 176005915 /nfs/dbraw/zinc/00/59/15/176005915.db2.gz QKRRJHAMQMPLIP-VXGBXAGGSA-N 0 1 293.798 2.751 20 30 CFEDMN Cc1c(C(=O)C(C#N)c2ccncn2)cnc2ccccc12 ZINC000354466954 227003909 /nfs/dbraw/zinc/00/39/09/227003909.db2.gz KNFAWECEWWGZNK-ZDUSSCGKSA-N 0 1 288.310 2.823 20 30 CFEDMN O=C(NC[C@@H]1CCc2ccccc21)[C@@H]1CCc2[nH]nnc2C1 ZINC000329034560 227266516 /nfs/dbraw/zinc/26/65/16/227266516.db2.gz QSPMSYOPXPPANB-OLZOCXBDSA-N 0 1 296.374 2.596 20 30 CFEDMN O=C(NC[C@@H]1CCc2ccccc21)[C@@H]1CCc2nn[nH]c2C1 ZINC000329034560 227266520 /nfs/dbraw/zinc/26/65/20/227266520.db2.gz QSPMSYOPXPPANB-OLZOCXBDSA-N 0 1 296.374 2.596 20 30 CFEDMN N#CCc1ccc(CN2CCOC3(CCC3)C2)cc1 ZINC000334155270 227337126 /nfs/dbraw/zinc/33/71/26/227337126.db2.gz UVZCZDSDECVMFL-UHFFFAOYSA-N 0 1 256.349 2.508 20 30 CFEDMN C[C@@H]1CCCC[C@@H]1N(C)C([O-])=[NH+][C@H]1CCn2ccnc2C1 ZINC000330281493 228091192 /nfs/dbraw/zinc/09/11/92/228091192.db2.gz UTDMQSJGODQAGZ-RDBSUJKOSA-N 0 1 290.411 2.622 20 30 CFEDMN COCC1(C#N)CCN(Cc2ccsc2C)CC1 ZINC000353384938 228093823 /nfs/dbraw/zinc/09/38/23/228093823.db2.gz FPFGCLNEPOGTOT-UHFFFAOYSA-N 0 1 264.394 2.809 20 30 CFEDMN NC(=O)C1CCC(NC(=O)[C@H]2CCCN2C2CC2)CC1 ZINC000330308873 228123147 /nfs/dbraw/zinc/12/31/47/228123147.db2.gz MOBWNQWAWUJTFR-GCZXYKMCSA-N 0 1 279.384 2.664 20 30 CFEDMN Cc1csc(C(C#N)C(=O)c2cn(C)nc2C(C)C)n1 ZINC000353639479 228136880 /nfs/dbraw/zinc/13/68/80/228136880.db2.gz WDWFWEILYYEGJG-JTQLQIEISA-N 0 1 288.376 2.799 20 30 CFEDMN Cc1cc(CC(=O)N[C@@H](CCCC#N)c2ccccc2)[nH]n1 ZINC000352165740 228190831 /nfs/dbraw/zinc/19/08/31/228190831.db2.gz IQVHOXIERDTTFC-INIZCTEOSA-N 0 1 296.374 2.812 20 30 CFEDMN CC[C@H](C(=O)NCCCCC#N)N(C)Cc1ccccc1 ZINC000354268170 260052496 /nfs/dbraw/zinc/05/24/96/260052496.db2.gz LCVWOXRZBSFGPP-MRXNPFEDSA-N 0 1 287.407 2.707 20 30 CFEDMN C[C@@H](C(=O)Nc1cccc(C#N)c1)[N@H+]1CCC(C)(C)C1 ZINC000072828250 260164602 /nfs/dbraw/zinc/16/46/02/260164602.db2.gz XRWRNKDFLKQVPZ-LBPRGKRZSA-N 0 1 271.364 2.617 20 30 CFEDMN C[C@@H](C(=O)Nc1cccc(C#N)c1)N1CCC(C)(C)C1 ZINC000072828250 260164606 /nfs/dbraw/zinc/16/46/06/260164606.db2.gz XRWRNKDFLKQVPZ-LBPRGKRZSA-N 0 1 271.364 2.617 20 30 CFEDMN CC(C)n1cc(C#N)c(=NC(=O)c2cccc(C3CC3)c2)[nH]1 ZINC000517958142 260326350 /nfs/dbraw/zinc/32/63/50/260326350.db2.gz ZFSSQDGLQIYKMW-UHFFFAOYSA-N 0 1 294.358 2.887 20 30 CFEDMN C=C(C)COCCNCc1nn(CC)c2ccccc12 ZINC000125790513 260344103 /nfs/dbraw/zinc/34/41/03/260344103.db2.gz MKWMMTKIKBSATQ-UHFFFAOYSA-N 0 1 273.380 2.739 20 30 CFEDMN CC(C)c1csc(C(C#N)C(=O)NCC(F)(F)F)n1 ZINC000155757352 261107518 /nfs/dbraw/zinc/10/75/18/261107518.db2.gz HPBLWYOGDYJMLS-SSDOTTSWSA-N 0 1 291.298 2.552 20 30 CFEDMN CC(C)c1csc(C(C#N)C(=O)NCc2ccco2)n1 ZINC000155770507 261107547 /nfs/dbraw/zinc/10/75/47/261107547.db2.gz OVEHZSBHHRZMNR-LLVKDONJSA-N 0 1 289.360 2.783 20 30 CFEDMN CCN(C[C@@H](C)C#N)C(=O)CCc1nc2cccc(C)c2[nH]1 ZINC000175580138 261234581 /nfs/dbraw/zinc/23/45/81/261234581.db2.gz ACJOMJWANFCHRI-LBPRGKRZSA-N 0 1 298.390 2.812 20 30 CFEDMN C=C(Cl)CNCc1cc(Cl)cc(OC)c1O ZINC000164773407 261358487 /nfs/dbraw/zinc/35/84/87/261358487.db2.gz XJBYSLPQFNIHKB-UHFFFAOYSA-N 0 1 262.136 2.896 20 30 CFEDMN CCN(CC)[C@@H](C(=O)NCCCCC#N)c1ccccc1 ZINC000171483957 261466987 /nfs/dbraw/zinc/46/69/87/261466987.db2.gz ICNOXPCJALUYDR-MRXNPFEDSA-N 0 1 287.407 2.880 20 30 CFEDMN C=CCC[C@@H](O)CN[C@@H](C)c1csc(CC)n1 ZINC000184746898 262027998 /nfs/dbraw/zinc/02/79/98/262027998.db2.gz APWLSGOXMDOECG-WDEREUQCSA-N 0 1 254.399 2.683 20 30 CFEDMN CC[C@@H](CO)/N=C/c1cc(Cl)cc(Cl)c1O ZINC000186943669 262117464 /nfs/dbraw/zinc/11/74/64/262117464.db2.gz YOBCIJRDFKTONL-QFKBZZQOSA-N 0 1 262.136 2.889 20 30 CFEDMN N#CCCCN1CCC(c2nc(-c3ccccn3)no2)CC1 ZINC000364100862 262145454 /nfs/dbraw/zinc/14/54/54/262145454.db2.gz WSCCSKCUCAIZMC-UHFFFAOYSA-N 0 1 297.362 2.615 20 30 CFEDMN C=CCNC(=O)CN[C@H](C)c1ccc(Cl)c(Cl)c1 ZINC000120475557 262197392 /nfs/dbraw/zinc/19/73/92/262197392.db2.gz UOTXLNNAKHOVRF-SECBINFHSA-N 0 1 287.190 2.946 20 30 CFEDMN O=C1CCCN1C[C@@H]1CCCCN1CC#Cc1ccccc1 ZINC000364471856 262247959 /nfs/dbraw/zinc/24/79/59/262247959.db2.gz IPHVWRCHOSNKNJ-SFHVURJKSA-N 0 1 296.414 2.515 20 30 CFEDMN C=CC1CCN(Cc2cc(C(=O)OC)c(C)o2)CC1 ZINC000111257895 262258608 /nfs/dbraw/zinc/25/86/08/262258608.db2.gz GUFRKGLMDOQKOU-UHFFFAOYSA-N 0 1 263.337 2.773 20 30 CFEDMN C=CC1CCN([C@@H](C)C(=O)Nc2ccc(Cl)cn2)CC1 ZINC000111258687 262258855 /nfs/dbraw/zinc/25/88/55/262258855.db2.gz VASAQPKARLWHBM-NSHDSACASA-N 0 1 293.798 2.960 20 30 CFEDMN O[C@@H]1CN(CC#Cc2ccc(C(F)(F)F)cc2)CC12CC2 ZINC000372290244 262265748 /nfs/dbraw/zinc/26/57/48/262265748.db2.gz WJNLDNYJQQIQJM-CQSZACIVSA-N 0 1 295.304 2.514 20 30 CFEDMN CC(C)C1(C)CCN(CC(=O)N[C@@](C)(C#N)C2CC2)CC1 ZINC000186196527 262311267 /nfs/dbraw/zinc/31/12/67/262311267.db2.gz BSRFEVUZXXGYBO-KRWDZBQOSA-N 0 1 291.439 2.553 20 30 CFEDMN C=CCN(CCC[C@@H](C)O)Cc1cccc([N+](=O)[O-])c1 ZINC000354858559 262314382 /nfs/dbraw/zinc/31/43/82/262314382.db2.gz CLDNWIQVLKCGHF-CYBMUJFWSA-N 0 1 278.352 2.744 20 30 CFEDMN C(#Cc1ccccc1)CN1CCC(OCC2CC2)CC1 ZINC000365235159 262352700 /nfs/dbraw/zinc/35/27/00/262352700.db2.gz SQKVTZUBVCUXFH-UHFFFAOYSA-N 0 1 269.388 2.929 20 30 CFEDMN C(#Cc1ccccc1)CN1CCCO[C@@H]2CCC[C@H]21 ZINC000365252476 262355365 /nfs/dbraw/zinc/35/53/65/262355365.db2.gz BPJRSQOGNKDMPP-IAGOWNOFSA-N 0 1 255.361 2.682 20 30 CFEDMN C=CCCCC(=O)NCC1(C)CN(Cc2ccccc2)C1 ZINC000365561735 262370261 /nfs/dbraw/zinc/37/02/61/262370261.db2.gz FPUWWPNMROWMIS-UHFFFAOYSA-N 0 1 286.419 2.981 20 30 CFEDMN C=C(C)CN(CC)Cc1cnn(C)c1C(F)(F)F ZINC000336703642 262381660 /nfs/dbraw/zinc/38/16/60/262381660.db2.gz HBNSDKDAYGPYNZ-UHFFFAOYSA-N 0 1 261.291 2.837 20 30 CFEDMN Cc1cc(C(=O)[C@@H](C#N)c2nc3ccccc3[nH]2)co1 ZINC000187235453 262392716 /nfs/dbraw/zinc/39/27/16/262392716.db2.gz LRGOVTRXQZZMPU-LLVKDONJSA-N 0 1 265.272 2.954 20 30 CFEDMN Cc1cc(C(=O)C(C#N)c2nc3ccccc3[nH]2)co1 ZINC000187235453 262392718 /nfs/dbraw/zinc/39/27/18/262392718.db2.gz LRGOVTRXQZZMPU-LLVKDONJSA-N 0 1 265.272 2.954 20 30 CFEDMN CC[C@H](C)N(CCCCC(C)(C)C#N)CC(=O)OC ZINC000337247368 262440422 /nfs/dbraw/zinc/44/04/22/262440422.db2.gz OXSNMWDVSLOPKJ-ZDUSSCGKSA-N 0 1 268.401 2.980 20 30 CFEDMN N#CC1(CCN2CC[C@](O)(C(F)(F)F)C2)CCCCC1 ZINC000411313170 262688809 /nfs/dbraw/zinc/68/88/09/262688809.db2.gz XDEAGRIJXUUYCX-CYBMUJFWSA-N 0 1 290.329 2.850 20 30 CFEDMN COCCOc1ccccc1CN1CCC(C)(C#N)CC1 ZINC000272479856 263005044 /nfs/dbraw/zinc/00/50/44/263005044.db2.gz BVKWOOLICCGSLS-UHFFFAOYSA-N 0 1 288.391 2.837 20 30 CFEDMN Cn1cc(CN2CCC(C)(C#N)CC2)c(-c2cccnc2)n1 ZINC000272554391 263006501 /nfs/dbraw/zinc/00/65/01/263006501.db2.gz RWGXNZSIGQFCGJ-UHFFFAOYSA-N 0 1 295.390 2.608 20 30 CFEDMN C=C(C)[C@H]1OCCC[C@H]1c1nc([C@H](N)CC(C)C)no1 ZINC000414618481 263011947 /nfs/dbraw/zinc/01/19/47/263011947.db2.gz JQSCDOXWOMTTDI-JHJVBQTASA-N 0 1 279.384 2.954 20 30 CFEDMN Cc1ccc2[nH]cc(C(=O)N(C)[C@H](C)CC#N)c(=O)c2c1 ZINC000273281507 263014623 /nfs/dbraw/zinc/01/46/23/263014623.db2.gz WRASKGFMAXZLAI-LLVKDONJSA-N 0 1 283.331 2.623 20 30 CFEDMN C=CC[C@H](CC)NC(=O)c1cc2[nH]cnc2cc1F ZINC000425291080 263040102 /nfs/dbraw/zinc/04/01/02/263040102.db2.gz QKYHMUVJAOMGQL-VIFPVBQESA-N 0 1 261.300 2.787 20 30 CFEDMN CCN(CC)[C@@H](CNC(=O)CC(C)(C)C#N)c1ccco1 ZINC000279361184 263055054 /nfs/dbraw/zinc/05/50/54/263055054.db2.gz WHUAFISIRANOJF-ZDUSSCGKSA-N 0 1 291.395 2.719 20 30 CFEDMN C=C[C@H](CC(=O)Nc1nc(SC)n[nH]1)c1ccccc1 ZINC000340127902 263074711 /nfs/dbraw/zinc/07/47/11/263074711.db2.gz ZMCIGDDKYAWNPE-SNVBAGLBSA-N 0 1 288.376 2.825 20 30 CFEDMN COc1ccc(N2CCN([C@H]3CC[C@H](C#N)C3)CC2)cc1 ZINC000283978434 263085166 /nfs/dbraw/zinc/08/51/66/263085166.db2.gz MEWDVQSMMJUSFF-HOCLYGCPSA-N 0 1 285.391 2.509 20 30 CFEDMN CC[C@@](C)(C#N)C(=O)Nc1nc(-c2ccc(C)cc2)n[nH]1 ZINC000286041512 263096968 /nfs/dbraw/zinc/09/69/68/263096968.db2.gz QSLXVYAXLSEGBB-HNNXBMFYSA-N 0 1 283.335 2.659 20 30 CFEDMN N#CCSCCCN1CCC2(C1)Oc1ccccc1O2 ZINC000288567221 263104840 /nfs/dbraw/zinc/10/48/40/263104840.db2.gz AYSWHZJKIBSXQQ-UHFFFAOYSA-N 0 1 290.388 2.507 20 30 CFEDMN COC[C@H](NCCCC#N)c1cccc(Cl)c1 ZINC000288792615 263105932 /nfs/dbraw/zinc/10/59/32/263105932.db2.gz LGDFHDJGSFTIRL-ZDUSSCGKSA-N 0 1 252.745 2.921 20 30 CFEDMN COC(=O)c1ccc2c(c1)CN([C@H]1CC[C@@H](C#N)C1)CC2 ZINC000292716208 263134301 /nfs/dbraw/zinc/13/43/01/263134301.db2.gz AFFVXCGFLVSVSS-WBMJQRKESA-N 0 1 284.359 2.524 20 30 CFEDMN N#CCCOCCN1CCSC[C@@H]1c1ccccc1 ZINC000293308379 263139257 /nfs/dbraw/zinc/13/92/57/263139257.db2.gz ZZPWBUIDTBWSDU-OAHLLOKOSA-N 0 1 276.405 2.707 20 30 CFEDMN C[C@@H](C#N)C(=O)Nc1ccc2nc(-c3ccco3)[nH]c2c1 ZINC000340509756 263180880 /nfs/dbraw/zinc/18/08/80/263180880.db2.gz RGWPZKLHNGTIRX-VIFPVBQESA-N 0 1 280.287 2.921 20 30 CFEDMN C[C@H](CCC#N)N1CCC[C@@H](Oc2ncccc2F)C1 ZINC000298551710 263221944 /nfs/dbraw/zinc/22/19/44/263221944.db2.gz OGDBYAJMPHYTAP-CHWSQXEVSA-N 0 1 277.343 2.756 20 30 CFEDMN COC(=O)c1ccc2c(c1)CN([C@@H](C)CCC#N)CC2 ZINC000299675495 263251978 /nfs/dbraw/zinc/25/19/78/263251978.db2.gz MOIPNEJEJWZYGO-LBPRGKRZSA-N 0 1 272.348 2.524 20 30 CFEDMN C=CC[N@H+](CCc1ccccc1)CC[C@H]1CCOC1=O ZINC000120283427 263283885 /nfs/dbraw/zinc/28/38/85/263283885.db2.gz ZPYKSRVFXOSKDX-INIZCTEOSA-N 0 1 273.376 2.670 20 30 CFEDMN C=CCC[C@H](NC[C@H]1CCCCS1(=O)=O)c1ccco1 ZINC000353674024 263370750 /nfs/dbraw/zinc/37/07/50/263370750.db2.gz RASWFUMWCLDQNF-KGLIPLIRSA-N 0 1 297.420 2.844 20 30 CFEDMN C=CCCN(C)C(=O)NCc1nc2ccc(C)cc2[nH]1 ZINC000342184966 263395069 /nfs/dbraw/zinc/39/50/69/263395069.db2.gz HGEBPWKDADVVQX-UHFFFAOYSA-N 0 1 272.352 2.589 20 30 CFEDMN C[C@H](CF)NCc1cccc(OCCCC#N)c1 ZINC000342193983 263398832 /nfs/dbraw/zinc/39/88/32/263398832.db2.gz BFSPYHIMWIZEHP-GFCCVEGCSA-N 0 1 250.317 2.817 20 30 CFEDMN Cc1nc(CCNC([O-])=[NH+]C[C@@H](C)C(C)C)cs1 ZINC000330837702 264051947 /nfs/dbraw/zinc/05/19/47/264051947.db2.gz XVUDKOWRKMLKGS-SNVBAGLBSA-N 0 1 269.414 2.790 20 30 CFEDMN CC(C)C1CCC(NC([O-])=[NH+][C@@H](C)Cn2cccn2)CC1 ZINC000331042210 264107882 /nfs/dbraw/zinc/10/78/82/264107882.db2.gz DZSYAZGYVNQQRS-NFOMZHRRSA-N 0 1 292.427 2.990 20 30 CFEDMN CC(C)C1CCC([NH+]=C([O-])N[C@@H](C)Cn2cccn2)CC1 ZINC000331042210 264107883 /nfs/dbraw/zinc/10/78/83/264107883.db2.gz DZSYAZGYVNQQRS-NFOMZHRRSA-N 0 1 292.427 2.990 20 30 CFEDMN CC(C)(C)c1ncc(C(=O)NCc2cnc[nH]2)s1 ZINC000331069451 264112554 /nfs/dbraw/zinc/11/25/54/264112554.db2.gz BMUQXGINQGMSQN-UHFFFAOYSA-N 0 1 264.354 2.669 20 30 CFEDMN Cc1n[nH]c(C(F)F)c1NC(=O)c1cn(C(C)(C)C)nn1 ZINC000331120146 264130179 /nfs/dbraw/zinc/13/01/79/264130179.db2.gz WYYCQTRJMJLZMV-UHFFFAOYSA-N 0 1 298.297 2.639 20 30 CFEDMN C=CC[C@@H]1N(Cc2c([N+](=O)[O-])ncn2C)CCCC1(C)C ZINC000331284301 264171926 /nfs/dbraw/zinc/17/19/26/264171926.db2.gz FMULMYSTUYCIKH-ZDUSSCGKSA-N 0 1 292.383 2.895 20 30 CFEDMN C=CCC[C@@H](O)C[N@@H+]1C[C@@H](c2ccccc2)OC[C@H]1C ZINC000126507255 264217748 /nfs/dbraw/zinc/21/77/48/264217748.db2.gz HYNDGVIPHCRRBO-OIISXLGYSA-N 0 1 275.392 2.776 20 30 CFEDMN C=CCC[C@@H](O)CN1C[C@@H](c2ccccc2)OC[C@H]1C ZINC000126507255 264217751 /nfs/dbraw/zinc/21/77/51/264217751.db2.gz HYNDGVIPHCRRBO-OIISXLGYSA-N 0 1 275.392 2.776 20 30 CFEDMN C=CCC[C@@H](O)CN1C[C@H](c2ccccc2)OC[C@H]1C ZINC000126507687 264217879 /nfs/dbraw/zinc/21/78/79/264217879.db2.gz HYNDGVIPHCRRBO-DJIMGWMZSA-N 0 1 275.392 2.776 20 30 CFEDMN C=CC[C@H](C)N[C@H](C)c1ncc(C(=O)OC)s1 ZINC000314645045 265173952 /nfs/dbraw/zinc/17/39/52/265173952.db2.gz ALJAGRWFGVHTNU-DTWKUNHWSA-N 0 1 254.355 2.545 20 30 CFEDMN N#Cc1csc(CNCc2ccc3c(c2)OCO3)c1 ZINC000093492047 265181430 /nfs/dbraw/zinc/18/14/30/265181430.db2.gz FXWSCMYAMGRMSJ-UHFFFAOYSA-N 0 1 272.329 2.638 20 30 CFEDMN Cc1c([C@@H](C)NCc2cc(C#N)cs2)cnn1C ZINC000093492342 265184017 /nfs/dbraw/zinc/18/40/17/265184017.db2.gz LUERBCRBLKYTCQ-SECBINFHSA-N 0 1 260.366 2.513 20 30 CFEDMN C[C@@H](O)[C@H]1CCCN(Cc2ccc(C#N)cc2Cl)C1 ZINC000525893742 266002859 /nfs/dbraw/zinc/00/28/59/266002859.db2.gz KNNFTLSQWKAMOJ-YPMHNXCESA-N 0 1 278.783 2.804 20 30 CFEDMN CCCN(Cc1cnn(C)c1)Cc1ccc(C#N)cc1 ZINC000195080650 266052951 /nfs/dbraw/zinc/05/29/51/266052951.db2.gz JMVFPTQBHGAFLP-UHFFFAOYSA-N 0 1 268.364 2.704 20 30 CFEDMN C=C(C)C[C@@H](C)C(=O)N[C@H](Cc1nc[nH]n1)c1ccccc1 ZINC000356556699 266137489 /nfs/dbraw/zinc/13/74/89/266137489.db2.gz QYFDOTYWPKOZQK-UKRRQHHQSA-N 0 1 298.390 2.807 20 30 CFEDMN C=C(C)[C@@H]1OCC[C@@H]1CNc1ccnc(C)c1Cl ZINC000356997439 266229273 /nfs/dbraw/zinc/22/92/73/266229273.db2.gz MOKRAOKYSHAPFP-RISCZKNCSA-N 0 1 266.772 2.858 20 30 CFEDMN Cn1ccnc1[C@@H](NCCCCC#N)c1cccc(F)c1 ZINC000357020676 266233334 /nfs/dbraw/zinc/23/33/34/266233334.db2.gz CXWUDGRXIPWYIC-HNNXBMFYSA-N 0 1 286.354 2.932 20 30 CFEDMN N#CCCCN1CC=C(c2ccc3c(c2)OCCO3)CC1 ZINC000357025816 266234870 /nfs/dbraw/zinc/23/48/70/266234870.db2.gz PVVGAHKHBUSSMJ-UHFFFAOYSA-N 0 1 284.359 2.851 20 30 CFEDMN C[C@H]1CCN(CC#Cc2ccc(C(F)(F)F)cc2)C[C@H]1O ZINC000357570023 266327823 /nfs/dbraw/zinc/32/78/23/266327823.db2.gz MGBPNQPTBBWQDX-SWLSCSKDSA-N 0 1 297.320 2.760 20 30 CFEDMN CC[C@@H](C)NC(=O)CN(CC)[C@@H](C)c1ccc(C#N)cc1 ZINC000193760547 266359093 /nfs/dbraw/zinc/35/90/93/266359093.db2.gz ADBOOECBVPFCJH-KGLIPLIRSA-N 0 1 287.407 2.856 20 30 CFEDMN C[C@@H]1CN(C(=O)CCCC#N)[C@H](C)CN1Cc1ccccc1 ZINC000360391888 266712866 /nfs/dbraw/zinc/71/28/66/266712866.db2.gz HKIMSIMVBKFYCE-HZPDHXFCSA-N 0 1 299.418 2.802 20 30 CFEDMN C=C[C@H](C)NC(=O)NC[C@@H](c1ccco1)N1CCCCC1 ZINC000362656526 267030643 /nfs/dbraw/zinc/03/06/43/267030643.db2.gz RIRVUKJHIKPMTM-KBPBESRZSA-N 0 1 291.395 2.680 20 30 CFEDMN C=C[C@H](C)NC(=O)NC[C@H](c1ccco1)N1CCCCC1 ZINC000362656531 267031039 /nfs/dbraw/zinc/03/10/39/267031039.db2.gz RIRVUKJHIKPMTM-UONOGXRCSA-N 0 1 291.395 2.680 20 30 CFEDMN C[C@@H]1CN(c2cccnc2C#N)CCN1Cc1ccccc1 ZINC000396427869 267063057 /nfs/dbraw/zinc/06/30/57/267063057.db2.gz YMLJDCHSSPBKTA-OAHLLOKOSA-N 0 1 292.386 2.664 20 30 CFEDMN CO[C@@H]1CC[N@@H+](Cc2ccccc2C(C)(C)C#N)C1 ZINC000362955266 267067079 /nfs/dbraw/zinc/06/70/79/267067079.db2.gz PSTUJJSVYYQGIQ-CQSZACIVSA-N 0 1 258.365 2.708 20 30 CFEDMN CC(C)NC(=O)CCN1CCC[C@H]1[C@H](C#N)c1ccccc1 ZINC000363174313 267078752 /nfs/dbraw/zinc/07/87/52/267078752.db2.gz VRECERRCBDUNSQ-SJORKVTESA-N 0 1 299.418 2.673 20 30 CFEDMN C[C@H]1CC(C)(C)C[C@](CO)(NCc2nc(C#N)cs2)C1 ZINC000352842652 267210364 /nfs/dbraw/zinc/21/03/64/267210364.db2.gz VBUPAKJHFMPTHP-XHDPSFHLSA-N 0 1 293.436 2.682 20 30 CFEDMN CCn1nncc1CN[C@@H]1CCCCc2cc(C#N)ccc21 ZINC000527913023 267267036 /nfs/dbraw/zinc/26/70/36/267267036.db2.gz HBOSKRHVXQZIBJ-QGZVFWFLSA-N 0 1 295.390 2.727 20 30 CFEDMN CN(CC#N)Cc1cnc(-c2ccc(Cl)cc2)[nH]1 ZINC000370537560 267326930 /nfs/dbraw/zinc/32/69/30/267326930.db2.gz FRYFVJHTQYKGHS-UHFFFAOYSA-N 0 1 260.728 2.685 20 30 CFEDMN C[C@@H](Cc1ccccc1[N+](=O)[O-])NCC1(C#N)CCC1 ZINC000418140092 267362519 /nfs/dbraw/zinc/36/25/19/267362519.db2.gz INQOUEMEHYGCBV-LBPRGKRZSA-N 0 1 273.336 2.809 20 30 CFEDMN COC[C@@H](Cc1ccccc1)NCC1(C#N)CCC1 ZINC000418145011 267366773 /nfs/dbraw/zinc/36/67/73/267366773.db2.gz WJSAQOWRRMOTAS-OAHLLOKOSA-N 0 1 258.365 2.528 20 30 CFEDMN C=CCCS(=O)(=O)Nc1ccccc1OC(F)(F)F ZINC000123083362 267985759 /nfs/dbraw/zinc/98/57/59/267985759.db2.gz VKUGGACQRDAMJJ-UHFFFAOYSA-N 0 1 295.282 2.903 20 30 CFEDMN Cc1cc([C@H](C#N)C(=O)c2ccc(C#N)s2)nc(C)n1 ZINC000429343748 268021921 /nfs/dbraw/zinc/02/19/21/268021921.db2.gz IPUADQQJGDUJNN-NSHDSACASA-N 0 1 282.328 2.517 20 30 CFEDMN Cc1cc(C(C#N)C(=O)c2ccc(C#N)s2)nc(C)n1 ZINC000429343748 268021925 /nfs/dbraw/zinc/02/19/25/268021925.db2.gz IPUADQQJGDUJNN-NSHDSACASA-N 0 1 282.328 2.517 20 30 CFEDMN Cc1nc([C@@H]2CCCCN2CC#Cc2ccccc2)n[nH]1 ZINC000377010512 268040020 /nfs/dbraw/zinc/04/00/20/268040020.db2.gz AYEIHFKQCXSOBT-INIZCTEOSA-N 0 1 280.375 2.692 20 30 CFEDMN C=CCCCCCCCCNC(=O)[C@@H]1C[C@H]1c1nc[nH]n1 ZINC000377088539 268046102 /nfs/dbraw/zinc/04/61/02/268046102.db2.gz JWWCAIYWWJCWHX-ZIAGYGMSSA-N 0 1 290.411 2.941 20 30 CFEDMN C[C@@H](NCc1ccc(C#N)cn1)c1ccc(C#N)cc1 ZINC000515688332 270374324 /nfs/dbraw/zinc/37/43/24/270374324.db2.gz CBCNKYKYCAKDCP-GFCCVEGCSA-N 0 1 262.316 2.676 20 30 CFEDMN CCn1cc(CN(C)[C@@H](C)c2ccc(C#N)cc2)cn1 ZINC000533302393 270878525 /nfs/dbraw/zinc/87/85/25/270878525.db2.gz AUNLWMPBRWLYRY-ZDUSSCGKSA-N 0 1 268.364 2.968 20 30 CFEDMN COC1(C)CCN(CC#Cc2ccc(F)cc2)CC1 ZINC000271807154 274013502 /nfs/dbraw/zinc/01/35/02/274013502.db2.gz XRTQMPIZKRLXSN-UHFFFAOYSA-N 0 1 261.340 2.678 20 30 CFEDMN CO[C@@H]1CCN(CC#Cc2ccc(F)cc2)[C@@H](C)C1 ZINC000281691263 274063995 /nfs/dbraw/zinc/06/39/95/274063995.db2.gz NALSYKHAXPOLNM-XJKSGUPXSA-N 0 1 261.340 2.677 20 30 CFEDMN C[C@@H]1CN(c2nc(C(F)(F)F)ccc2C#N)[C@H](C)CN1C ZINC000351505380 274367705 /nfs/dbraw/zinc/36/77/05/274367705.db2.gz MTMWEWUCLPMMCM-NXEZZACHSA-N 0 1 298.312 2.501 20 30 CFEDMN C[C@H](N[C@@H]1CCN(C(C)(C)C)C1=O)c1ccc(C#N)cc1 ZINC000424114354 278273258 /nfs/dbraw/zinc/27/32/58/278273258.db2.gz QOPZOBZDJRJTHG-SWLSCSKDSA-N 0 1 285.391 2.608 20 30 CFEDMN Cc1ccc(CN2CCN(c3ccc(C#N)cn3)CC2)cc1 ZINC000060481789 280457843 /nfs/dbraw/zinc/45/78/43/280457843.db2.gz KNZAOAFOFDYYPQ-UHFFFAOYSA-N 0 1 292.386 2.584 20 30 CFEDMN Cc1cccc(S(=O)(=O)Nc2ccccc2C)c1C#N ZINC000137185680 280786664 /nfs/dbraw/zinc/78/66/64/280786664.db2.gz LZRGCFKIYREMQB-UHFFFAOYSA-N 0 1 286.356 2.976 20 30 CFEDMN Cc1ccc2c(c1)nc(CN[C@H]1CC[C@H](C#N)C1)n2C ZINC000335679659 281132133 /nfs/dbraw/zinc/13/21/33/281132133.db2.gz ZIEYQGGUWZRJSL-STQMWFEESA-N 0 1 268.364 2.664 20 30 CFEDMN Cc1ccccc1[C@@H](CO)NCc1ccc(C#N)cc1 ZINC000538429820 281553234 /nfs/dbraw/zinc/55/32/34/281553234.db2.gz CFRGIJHWQUUMLG-QGZVFWFLSA-N 0 1 266.344 2.690 20 30 CFEDMN N#Cc1cccc(-c2nnc(CNC3(C4CC4)CC3)o2)c1 ZINC000542524534 281627355 /nfs/dbraw/zinc/62/73/55/281627355.db2.gz BUDKXKXDULFLCO-UHFFFAOYSA-N 0 1 280.331 2.640 20 30 CFEDMN N#Cc1ccc([C@H](NCCC2=CCCCCC2)C(N)=O)cc1 ZINC000545934524 281697974 /nfs/dbraw/zinc/69/79/74/281697974.db2.gz FKLSVYXDZIBFGO-KRWDZBQOSA-N 0 1 297.402 2.955 20 30 CFEDMN N#Cc1cccc(S(=O)(=O)Nc2cccc3cc[nH]c32)c1 ZINC000548150222 281771594 /nfs/dbraw/zinc/77/15/94/281771594.db2.gz DRYZPXYDCMHDOI-UHFFFAOYSA-N 0 1 297.339 2.840 20 30 CFEDMN CC(C)n1cc([C@H](C)NCc2cc(C#N)n(C)c2)cn1 ZINC000558761833 281995971 /nfs/dbraw/zinc/99/59/71/281995971.db2.gz AHDWYAUEPTXIMV-LBPRGKRZSA-N 0 1 271.368 2.525 20 30 CFEDMN Cc1cc(C#N)cnc1C(=O)Nc1nc2ccc(F)cc2[nH]1 ZINC000560456856 282027600 /nfs/dbraw/zinc/02/76/00/282027600.db2.gz POXNFALOEKJGAV-UHFFFAOYSA-N 0 1 295.277 2.529 20 30 CFEDMN N#Cc1ccc2c(c1)CCC[C@@H]2NCc1ccc(CO)o1 ZINC000563592689 290161631 /nfs/dbraw/zinc/16/16/31/290161631.db2.gz JUEJBYSQZGXOFI-KRWDZBQOSA-N 0 1 282.343 2.811 20 30 CFEDMN CC(C)c1nc([C@H](C)Nc2ncc3c(c2C#N)CCC3)n[nH]1 ZINC000564877180 290244809 /nfs/dbraw/zinc/24/48/09/290244809.db2.gz YVTQNBKQYWKLRQ-JTQLQIEISA-N 0 1 296.378 2.857 20 30 CFEDMN CCc1nc(CSc2ccc(C#N)c(C)c2)n[nH]1 ZINC000566223185 290359651 /nfs/dbraw/zinc/35/96/51/290359651.db2.gz CLVMZKPTKMUEIF-UHFFFAOYSA-N 0 1 258.350 2.840 20 30 CFEDMN C=C(C)CN1CC[C@H]1CN(C)C(=O)c1cc(C)oc1C ZINC001085478167 782071588 /nfs/dbraw/zinc/07/15/88/782071588.db2.gz QLIKZYGZWWDFMS-AWEZNQCLSA-N 0 1 276.380 2.619 20 30 CFEDMN C=CCCC[C@@H](C)[N@H+]1CCC[C@@](COC)(C(=O)[O-])C1 ZINC000563290408 328009735 /nfs/dbraw/zinc/00/97/35/328009735.db2.gz UKXCLKDNXHHZPB-UKRRQHHQSA-N 0 1 269.385 2.544 20 30 CFEDMN Cc1cc(C(C#N)C(=O)c2ccc(C3CC3)cn2)nc(C)n1 ZINC000531782912 328033721 /nfs/dbraw/zinc/03/37/21/328033721.db2.gz JUEBAOLWUKLENQ-AWEZNQCLSA-N 0 1 292.342 2.856 20 30 CFEDMN CC[C@H]1COCCN1CCC1(C#N)CCCCC1 ZINC000411270532 328081679 /nfs/dbraw/zinc/08/16/79/328081679.db2.gz JPHOVJXTRNPHSM-AWEZNQCLSA-N 0 1 250.386 2.961 20 30 CFEDMN CC[C@@H](CC#N)NC[C@H](O)COc1ccc2ccccc2c1 ZINC000571295036 328100211 /nfs/dbraw/zinc/10/02/11/328100211.db2.gz NBSUCCHTICUEJO-IRXDYDNUSA-N 0 1 298.386 2.861 20 30 CFEDMN CC[C@H](CC#N)NC[C@H](O)COc1ccc2ccccc2c1 ZINC000571295037 328100353 /nfs/dbraw/zinc/10/03/53/328100353.db2.gz NBSUCCHTICUEJO-SJORKVTESA-N 0 1 298.386 2.861 20 30 CFEDMN C[C@H]1CN(CCC2(C#N)CCCCC2)C[C@@]2(CCOC2)O1 ZINC000411667895 328098193 /nfs/dbraw/zinc/09/81/93/328098193.db2.gz XFSMZGYYWNYKSV-DOTOQJQBSA-N 0 1 292.423 2.730 20 30 CFEDMN C=CCN(CC(F)(F)F)C(=O)[C@H](C)N1[C@H](C)CC[C@H]1C ZINC000413288200 328143510 /nfs/dbraw/zinc/14/35/10/328143510.db2.gz VYEPBLYUZZQFGN-UTUOFQBUSA-N 0 1 292.345 2.825 20 30 CFEDMN CCOc1ccc(-c2nc(CON=C(N)CC)co2)cc1 ZINC000269463123 328190652 /nfs/dbraw/zinc/19/06/52/328190652.db2.gz YOHBJQSNMLOLDR-UHFFFAOYSA-N 0 1 289.335 2.939 20 30 CFEDMN CCC(N)=NOCc1nn(-c2ccccc2)c2c1CCC2 ZINC000271281545 328196116 /nfs/dbraw/zinc/19/61/16/328196116.db2.gz CANMBLIEIGYIFX-UHFFFAOYSA-N 0 1 284.363 2.560 20 30 CFEDMN C=CCOc1ccc(C[N@H+](CC(=O)[O-])C(C)C)cc1 ZINC000414663761 328212089 /nfs/dbraw/zinc/21/20/89/328212089.db2.gz SIQDIOIGXVPAGM-UHFFFAOYSA-N 0 1 263.337 2.546 20 30 CFEDMN C[C@H](CCC#N)N(C)Cc1cc(Br)cn1C ZINC000276358562 328217874 /nfs/dbraw/zinc/21/78/74/328217874.db2.gz XYWONSYADNXATL-SNVBAGLBSA-N 0 1 284.201 2.912 20 30 CFEDMN Cc1ccc2nc(CN[C@H]3CCC[C@H](C#N)C3)cn2c1 ZINC000278395821 328225137 /nfs/dbraw/zinc/22/51/37/328225137.db2.gz FDQIGJKCSDEGBN-KBPBESRZSA-N 0 1 268.364 2.815 20 30 CFEDMN N#CCC[C@@H](C#N)CN1CCCN2c3ccccc3C[C@@H]2C1 ZINC000289541701 328255097 /nfs/dbraw/zinc/25/50/97/328255097.db2.gz SZUFZYNYKFYDMR-DOTOQJQBSA-N 0 1 294.402 2.567 20 30 CFEDMN CN(Cc1cc(Cl)cn1C)[C@H]1CC[C@@H](C#N)C1 ZINC000292937759 328273977 /nfs/dbraw/zinc/27/39/77/328273977.db2.gz ZREYJYWDFYTSOT-PWSUYJOCSA-N 0 1 251.761 2.803 20 30 CFEDMN C[C@@H](NCCOCCC#N)c1ccc(F)cc1F ZINC000293853018 328278140 /nfs/dbraw/zinc/27/81/40/328278140.db2.gz RJSBRZAAGDHOHE-SNVBAGLBSA-N 0 1 254.280 2.546 20 30 CFEDMN COc1c(C)cnc(CN(C)[C@H]2CC[C@H](C#N)C2)c1C ZINC000295056318 328284582 /nfs/dbraw/zinc/28/45/82/328284582.db2.gz BKYKZFUTCVTKKI-KBPBESRZSA-N 0 1 273.380 2.831 20 30 CFEDMN CO[C@@H](Cc1ccccc1)CN(CCC#N)CC1CC1 ZINC000295092340 328285143 /nfs/dbraw/zinc/28/51/43/328285143.db2.gz SJSQAPBXCPHIRF-KRWDZBQOSA-N 0 1 272.392 2.870 20 30 CFEDMN COc1cc(C)cc(-c2cc3[nH]cnc3c(C#N)n2)c1 ZINC001243240741 782088440 /nfs/dbraw/zinc/08/84/40/782088440.db2.gz JMZJSIDLONWFEE-UHFFFAOYSA-N 0 1 264.288 2.814 20 30 CFEDMN C[C@@H](NCc1ccc(C#N)cn1)[C@@H]1OCCc2sccc21 ZINC000569500450 322477669 /nfs/dbraw/zinc/47/76/69/322477669.db2.gz JPJHKIOZYIHGKJ-BZNIZROVSA-N 0 1 299.399 2.807 20 30 CFEDMN N#Cc1ccc(C(=O)N2CC3(CC3)c3ccccc32)cc1O ZINC000188539216 324016609 /nfs/dbraw/zinc/01/66/09/324016609.db2.gz JWRWKZSYPYRNPP-UHFFFAOYSA-N 0 1 290.322 2.956 20 30 CFEDMN CCS[C@@H]1CCC[C@H]1NCc1nc(C#N)cs1 ZINC000386110607 324473659 /nfs/dbraw/zinc/47/36/59/324473659.db2.gz KFGQLGWQEDBOLJ-GHMZBOCLSA-N 0 1 267.423 2.779 20 30 CFEDMN O=C(NC[C@H]1CCCS1)c1cc(O)cc([N+](=O)[O-])c1 ZINC000331047108 328475504 /nfs/dbraw/zinc/47/55/04/328475504.db2.gz IOPGIHQYRQUWFB-LLVKDONJSA-N 0 1 282.321 2.501 20 30 CFEDMN CC1CCN(Cc2ccc(C#N)cc2[N+](=O)[O-])CC1 ZINC000582304184 325194051 /nfs/dbraw/zinc/19/40/51/325194051.db2.gz CXKNQHPEHBJUQY-UHFFFAOYSA-N 0 1 259.309 2.698 20 30 CFEDMN CC(C)C1CCN(CC(=O)NC2(C#N)CCCCC2)CC1 ZINC000075833310 326921914 /nfs/dbraw/zinc/92/19/14/326921914.db2.gz LCBPXYNLCNLHKL-UHFFFAOYSA-N 0 1 291.439 2.697 20 30 CFEDMN CC(C)(C#N)CCN1CCN(c2ccc(F)cc2)CC1 ZINC000087595054 326993292 /nfs/dbraw/zinc/99/32/92/326993292.db2.gz CCKCJXPPGGVMTH-UHFFFAOYSA-N 0 1 275.371 2.888 20 30 CFEDMN C=CCN(Cc1ccccc1F)C(=O)[C@H](C)N1CC(C)C1 ZINC000557562862 327013553 /nfs/dbraw/zinc/01/35/53/327013553.db2.gz IFZATLOEYMXHMP-AWEZNQCLSA-N 0 1 290.382 2.681 20 30 CFEDMN N#CCC[C@H](C#N)CN[C@H]1C[C@H]1c1cccc(F)c1 ZINC000558506459 327099377 /nfs/dbraw/zinc/09/93/77/327099377.db2.gz TWANNVDQFAWKJK-UGFHNGPFSA-N 0 1 257.312 2.715 20 30 CFEDMN COc1ccccc1C1(CNC[C@@H](C#N)CCC#N)CC1 ZINC000558506816 327099822 /nfs/dbraw/zinc/09/98/22/327099822.db2.gz NEFVXQIKGJTGPL-CQSZACIVSA-N 0 1 283.375 2.760 20 30 CFEDMN C=C(CC)CN1CCC(C#N)(c2ccccn2)CC1 ZINC000558628220 327111113 /nfs/dbraw/zinc/11/11/13/327111113.db2.gz VNDLWLOXLADGTR-UHFFFAOYSA-N 0 1 255.365 2.905 20 30 CFEDMN CCN(C[C@H](C)C#N)C(=O)CN1CCC[C@@H]1c1ccccc1 ZINC000076842946 327130852 /nfs/dbraw/zinc/13/08/52/327130852.db2.gz ZQHCJBCLJBWAGG-NVXWUHKLSA-N 0 1 299.418 2.832 20 30 CFEDMN C[C@@H](NC1CC(C#N)(c2ccccc2)C1)c1cnn(C)c1 ZINC000127374994 327149652 /nfs/dbraw/zinc/14/96/52/327149652.db2.gz SXPXQXHIJGWUDK-NVPAJSRCSA-N 0 1 280.375 2.695 20 30 CFEDMN Cc1cccc(NC(=O)C[C@H](C)NCC2(C#N)CC2)c1 ZINC000559334133 327161108 /nfs/dbraw/zinc/16/11/08/327161108.db2.gz JKZRQPRBYWFEJS-ZDUSSCGKSA-N 0 1 271.364 2.606 20 30 CFEDMN Cc1cccc(NC(=O)C[C@@H](C)NCC2(C#N)CC2)c1 ZINC000559334131 327161184 /nfs/dbraw/zinc/16/11/84/327161184.db2.gz JKZRQPRBYWFEJS-CYBMUJFWSA-N 0 1 271.364 2.606 20 30 CFEDMN C=CCN(CCc1ccco1)[C@@H]1CCCN(C(C)C)C1=O ZINC000560032994 327278979 /nfs/dbraw/zinc/27/89/79/327278979.db2.gz VIWVQJHLWKXROF-MRXNPFEDSA-N 0 1 290.407 2.710 20 30 CFEDMN N#C[C@H]1CC[C@H](NCc2ccn(Cc3ccccc3)n2)C1 ZINC000560270684 327295033 /nfs/dbraw/zinc/29/50/33/327295033.db2.gz QBAVWUUQAWADAT-HOTGVXAUSA-N 0 1 280.375 2.713 20 30 CFEDMN C=CCCCCCNC(=O)[C@@H]1Cc2ccccc2CN1 ZINC000566470861 327385608 /nfs/dbraw/zinc/38/56/08/327385608.db2.gz PMFTZMJTCBAEGH-INIZCTEOSA-N 0 1 272.392 2.564 20 30 CFEDMN C=C(C)C[N@H+](CC)[C@H](C)C(=O)NCCc1ccccc1 ZINC000155133163 327390571 /nfs/dbraw/zinc/39/05/71/327390571.db2.gz XWXHLOYLFLASSU-OAHLLOKOSA-N 0 1 274.408 2.632 20 30 CFEDMN C=C(C)CN(CC)[C@H](C)C(=O)NCCc1ccccc1 ZINC000155133163 327390573 /nfs/dbraw/zinc/39/05/73/327390573.db2.gz XWXHLOYLFLASSU-OAHLLOKOSA-N 0 1 274.408 2.632 20 30 CFEDMN N#CCC[C@H](C#N)CNC[C@H]1CC[C@H](c2ccccc2)O1 ZINC000561847118 327425696 /nfs/dbraw/zinc/42/56/96/327425696.db2.gz XEZDKQUVFIYUCB-DJIMGWMZSA-N 0 1 283.375 2.940 20 30 CFEDMN Cc1ccc(NC(=O)C[C@H](C)NCC2(C#N)CC2)c(C)c1 ZINC000562384687 327477589 /nfs/dbraw/zinc/47/75/89/327477589.db2.gz XZCQUBSKJFGLJY-AWEZNQCLSA-N 0 1 285.391 2.914 20 30 CFEDMN CCC(CC)NC(=O)[C@H](C)N1CCC(CCC#N)CC1 ZINC000399289132 328687638 /nfs/dbraw/zinc/68/76/38/328687638.db2.gz GCUTUHGPIJGUJO-ZDUSSCGKSA-N 0 1 279.428 2.695 20 30 CFEDMN CN(C)[C@@H]1CCOc2c(NC(=O)CCCC#N)cccc21 ZINC000360453496 328906772 /nfs/dbraw/zinc/90/67/72/328906772.db2.gz DVQUWXPBZRHMLZ-CQSZACIVSA-N 0 1 287.363 2.704 20 30 CFEDMN Cc1cccc2nc(CCC(=O)NC3(C#N)CCCC3)[nH]c21 ZINC000176257101 329174254 /nfs/dbraw/zinc/17/42/54/329174254.db2.gz JFDOOAAXRISEQZ-UHFFFAOYSA-N 0 1 296.374 2.757 20 30 CFEDMN C=C(C)CN(C)[C@H](C)C(=O)NCc1ccccc1C ZINC000181297810 329230470 /nfs/dbraw/zinc/23/04/70/329230470.db2.gz MUUSRYHQWGSZGI-CQSZACIVSA-N 0 1 260.381 2.508 20 30 CFEDMN C=C(C)CN(C)[C@@H](C)C(=O)NCc1ccc(C)cc1 ZINC000181331118 329231486 /nfs/dbraw/zinc/23/14/86/329231486.db2.gz OXQKNCCBOFQERY-AWEZNQCLSA-N 0 1 260.381 2.508 20 30 CFEDMN C=C(C)CN(C)[C@@H](C)C(=O)N(CC)c1ccccc1 ZINC000181330969 329231582 /nfs/dbraw/zinc/23/15/82/329231582.db2.gz QWXQYCQLJPFFSW-AWEZNQCLSA-N 0 1 260.381 2.936 20 30 CFEDMN C=C(C)CN(C)C(=O)c1cc(-c2ccc(OC)cc2)[nH]n1 ZINC000183051790 329246774 /nfs/dbraw/zinc/24/67/74/329246774.db2.gz ZLQNRSRZRNEUMR-UHFFFAOYSA-N 0 1 285.347 2.733 20 30 CFEDMN C=C[C@@H](C)NCc1ccc(C(=O)OC)cc1Br ZINC000226717378 329264185 /nfs/dbraw/zinc/26/41/85/329264185.db2.gz MKOHVRFLOGYCQX-SECBINFHSA-N 0 1 298.180 2.900 20 30 CFEDMN C[C@@H](C(=O)N(CCC#N)c1ccccc1)N1C2CCC1CC2 ZINC000532915597 329421916 /nfs/dbraw/zinc/42/19/16/329421916.db2.gz CKZNVDHWKBEHQU-OOHWJJMZSA-N 0 1 297.402 2.949 20 30 CFEDMN CCN(CCC#N)C(=O)CN1CCC(c2ccccc2)CC1 ZINC000194117651 329685186 /nfs/dbraw/zinc/68/51/86/329685186.db2.gz HILYZDDWYRILSV-UHFFFAOYSA-N 0 1 299.418 2.628 20 30 CFEDMN CCN(CCC#N)C(=O)CN1CCC[C@H]1c1cccc(C)c1 ZINC000079209521 330007209 /nfs/dbraw/zinc/00/72/09/330007209.db2.gz YPOFIRYQIHWOGL-KRWDZBQOSA-N 0 1 299.418 2.894 20 30 CFEDMN C=C(Cl)CN[C@H](C)c1ccc(N2CCOCC2)cc1 ZINC000271523772 330080864 /nfs/dbraw/zinc/08/08/64/330080864.db2.gz QTMOERWNAMYRRN-CYBMUJFWSA-N 0 1 280.799 2.926 20 30 CFEDMN C=C1CCN(Cc2cc(OC)c(OC)cc2O)CC1 ZINC000271741288 330082656 /nfs/dbraw/zinc/08/26/56/330082656.db2.gz QXVGEDPYNBBEHS-UHFFFAOYSA-N 0 1 263.337 2.561 20 30 CFEDMN C#CCC(C)(C)C(=O)Nc1cc2cn[nH]c2cc1C ZINC000276835721 330114692 /nfs/dbraw/zinc/11/46/92/330114692.db2.gz WTQAABANAOSQBK-UHFFFAOYSA-N 0 1 255.321 2.859 20 30 CFEDMN C=CCCCNC(=O)NC[C@H](c1ccc(F)cc1)N(C)C ZINC000279559178 330123519 /nfs/dbraw/zinc/12/35/19/330123519.db2.gz NGTQVHUHZIDENX-OAHLLOKOSA-N 0 1 293.386 2.694 20 30 CFEDMN C=C[C@H]1CCCCN1C(=O)c1cc(-c2ccn(C)c2)[nH]n1 ZINC000580463477 330142786 /nfs/dbraw/zinc/14/27/86/330142786.db2.gz PFTWLJZIEUDACP-ZDUSSCGKSA-N 0 1 284.363 2.596 20 30 CFEDMN CCCN(CC(=O)NC1(C#N)CCC1)Cc1ccc(C)cc1 ZINC000527128272 330225097 /nfs/dbraw/zinc/22/50/97/330225097.db2.gz JODKWJRWIRQTEW-UHFFFAOYSA-N 0 1 299.418 2.770 20 30 CFEDMN C=CCOc1ccccc1CNCc1ccc(OC)nc1 ZINC000035256599 330244755 /nfs/dbraw/zinc/24/47/55/330244755.db2.gz BXPUTRWEDLPUMY-UHFFFAOYSA-N 0 1 284.359 2.945 20 30 CFEDMN N#C[C@H]1CC[C@@H](NCc2cccc3c2OC(F)(F)O3)C1 ZINC000424195043 330324299 /nfs/dbraw/zinc/32/42/99/330324299.db2.gz BVRKESVAQBFNKW-GXSJLCMTSA-N 0 1 280.274 2.790 20 30 CFEDMN Cn1ccnc1[C@H](NCc1ccc(CC#N)cc1)C1CC1 ZINC000516467804 330493387 /nfs/dbraw/zinc/49/33/87/330493387.db2.gz UJQXYDSINYOVFW-MRXNPFEDSA-N 0 1 280.375 2.727 20 30 CFEDMN N#CCCCNCc1cccc(F)c1Br ZINC000449233675 330908061 /nfs/dbraw/zinc/90/80/61/330908061.db2.gz MTUYZCVRQBTKIQ-UHFFFAOYSA-N 0 1 271.133 2.982 20 30 CFEDMN C=C[C@@H]1OCCC[C@H]1NCc1ncc(CSC)s1 ZINC000449549461 330935947 /nfs/dbraw/zinc/93/59/47/330935947.db2.gz YEDDCBLNKUGOHE-NEPJUHHUSA-N 0 1 284.450 2.829 20 30 CFEDMN C=C[C@@H]1OCC[C@H]1Nc1cc(C)nc2ccc(F)cc21 ZINC000450752899 330997985 /nfs/dbraw/zinc/99/79/85/330997985.db2.gz DUCIPFFEUFNOFV-ZBFHGGJFSA-N 0 1 272.323 2.860 20 30 CFEDMN CN(C(=O)[C@H]1CCN(CC2(C#N)CCC2)C1)c1ccccc1 ZINC000450917701 331007123 /nfs/dbraw/zinc/00/71/23/331007123.db2.gz UDOXUSVMNXEBFU-HNNXBMFYSA-N 0 1 297.402 2.665 20 30 CFEDMN COCCN(CC1(C#N)CCC1)[C@H]1CCCSC1 ZINC000451062162 331014380 /nfs/dbraw/zinc/01/43/80/331014380.db2.gz CYWVLVNQNCNIMJ-ZDUSSCGKSA-N 0 1 268.426 2.524 20 30 CFEDMN C=C[C@@H]1OCC[C@H]1NCc1csc(-c2ccoc2)n1 ZINC000451607704 331036524 /nfs/dbraw/zinc/03/65/24/331036524.db2.gz QENAXSLVCHFHLQ-OLZOCXBDSA-N 0 1 276.361 2.836 20 30 CFEDMN C=C[C@@H]1OCCC[C@H]1NCc1csc(CCC)n1 ZINC000451676603 331038641 /nfs/dbraw/zinc/03/86/41/331038641.db2.gz SURWKUDAFWPUNL-OLZOCXBDSA-N 0 1 266.410 2.919 20 30 CFEDMN C=C(C)CCNC(=O)[C@@H](c1ccccc1)N(C)CC ZINC000452720266 331073681 /nfs/dbraw/zinc/07/36/81/331073681.db2.gz DRLLICXEAUCZHO-OAHLLOKOSA-N 0 1 260.381 2.762 20 30 CFEDMN C=CCC1(NC(=O)CCCCc2cn[nH]n2)CCCCC1 ZINC000456363784 331191078 /nfs/dbraw/zinc/19/10/78/331191078.db2.gz IXIHXVJOFPOSLO-UHFFFAOYSA-N 0 1 290.411 2.913 20 30 CFEDMN C=CCCOCCCCC(=O)N1CCN([C@@H](C)CC)CC1 ZINC000456527458 331195061 /nfs/dbraw/zinc/19/50/61/331195061.db2.gz JKESWKSRLPAIPX-INIZCTEOSA-N 0 1 296.455 2.692 20 30 CFEDMN C=CCCO[C@@H](C)C(=O)Nc1ccc(F)c(F)c1O ZINC000457302019 331218529 /nfs/dbraw/zinc/21/85/29/331218529.db2.gz XANURQQEPHVUTM-QMMMGPOBSA-N 0 1 271.263 2.590 20 30 CFEDMN CC(C)(CC#N)CNC(=O)[C@H]1CCCN1Cc1ccccc1 ZINC000457986662 331238785 /nfs/dbraw/zinc/23/87/85/331238785.db2.gz IVRDLOBPCXHYNT-MRXNPFEDSA-N 0 1 299.418 2.707 20 30 CFEDMN C=CCCC[C@H](C)NC(=O)NCc1n[nH]c(C(C)(C)C)n1 ZINC000458617813 331254317 /nfs/dbraw/zinc/25/43/17/331254317.db2.gz KQSUTCHAJRHDRM-NSHDSACASA-N 0 1 293.415 2.646 20 30 CFEDMN C=C(C)CCNC(=O)NCCN(CC)CCC(F)(F)F ZINC000458708738 331257396 /nfs/dbraw/zinc/25/73/96/331257396.db2.gz HVAXTIZKSKQNAQ-UHFFFAOYSA-N 0 1 295.349 2.526 20 30 CFEDMN N#C[C@H]1CCC[C@@H]1NCCc1ccc(F)c(F)c1 ZINC000459458633 331282482 /nfs/dbraw/zinc/28/24/82/331282482.db2.gz FOJGOSSFIODFAJ-RISCZKNCSA-N 0 1 250.292 2.789 20 30 CFEDMN C#C[C@@H](NCc1ccc(Br)cn1)C(C)(C)C ZINC000393755077 333414339 /nfs/dbraw/zinc/41/43/39/333414339.db2.gz RUVLNZYNJKAMIP-GFCCVEGCSA-N 0 1 281.197 2.982 20 30 CFEDMN C=C[C@@H]1CCCCN1CC(=O)NCCC(C)(C)C ZINC000489443114 332052780 /nfs/dbraw/zinc/05/27/80/332052780.db2.gz UXEWVLZBUPKOII-CYBMUJFWSA-N 0 1 252.402 2.579 20 30 CFEDMN CCc1ccc([C@H](C#N)NC(=O)CN2[C@H](C)CC[C@H]2C)cc1 ZINC000489955939 332074224 /nfs/dbraw/zinc/07/42/24/332074224.db2.gz SJIXQSNCFYWURE-CPUCHLNUSA-N 0 1 299.418 2.803 20 30 CFEDMN Cc1c(Cl)cccc1C(=O)C(C#N)c1ccncn1 ZINC000490944225 332131646 /nfs/dbraw/zinc/13/16/46/332131646.db2.gz UKKMZHJTVIMVGA-NSHDSACASA-N 0 1 271.707 2.929 20 30 CFEDMN C#CCN1CCC(F)(c2cc(OC)cc(OC)c2)CC1 ZINC000491203471 332165652 /nfs/dbraw/zinc/16/56/52/332165652.db2.gz WLWCOFBSXSBAJF-UHFFFAOYSA-N 0 1 277.339 2.598 20 30 CFEDMN C#C[C@@H](C)N(C)Cc1cccc(C(=O)N2CCCCC2)c1 ZINC000491326896 332190965 /nfs/dbraw/zinc/19/09/65/332190965.db2.gz RELVIWYJKHWSBO-OAHLLOKOSA-N 0 1 284.403 2.766 20 30 CFEDMN C#C[C@H](NCc1cnc(-c2ccccc2OC)nc1)C(C)C ZINC000491338559 332192489 /nfs/dbraw/zinc/19/24/89/332192489.db2.gz JNDJTBJSWLJABR-INIZCTEOSA-N 0 1 295.386 2.900 20 30 CFEDMN C#C[C@@H](N[C@@H](C)Cn1cccn1)c1ccc(Cl)cc1 ZINC000491352214 332195659 /nfs/dbraw/zinc/19/56/59/332195659.db2.gz YFZBJGCPCYPUAS-SWLSCSKDSA-N 0 1 273.767 2.889 20 30 CFEDMN C#C[C@H](C)N(C)Cc1c[nH]nc1-c1ccccc1F ZINC000491376035 332200465 /nfs/dbraw/zinc/20/04/65/332200465.db2.gz YINIOGVCJUZCBE-NSHDSACASA-N 0 1 257.312 2.669 20 30 CFEDMN C#CCN1CCC[C@H]1c1nc2ccc(Cl)cc2[nH]1 ZINC000491453853 332214814 /nfs/dbraw/zinc/21/48/14/332214814.db2.gz UDLLHNVCZLXDFU-ZDUSSCGKSA-N 0 1 259.740 2.986 20 30 CFEDMN C#CCN1CCC[C@@H]1COC(=O)[C@@H](CC)CC(F)(F)F ZINC000491462133 332215880 /nfs/dbraw/zinc/21/58/80/332215880.db2.gz HIBMMFDWIHSQDO-NWDGAFQWSA-N 0 1 291.313 2.606 20 30 CFEDMN C#C[C@H](C)N(C)Cc1cc(Cl)c(O)c(OCC)c1 ZINC000491693860 332290197 /nfs/dbraw/zinc/29/01/97/332290197.db2.gz JXCBVXVJOOEMSQ-JTQLQIEISA-N 0 1 267.756 2.898 20 30 CFEDMN C#CCN[C@@H](c1ccccc1)[C@H](O)c1ccccc1 ZINC000491707485 332300096 /nfs/dbraw/zinc/30/00/96/332300096.db2.gz GDTYSNJXAHXNDY-DLBZAZTESA-N 0 1 251.329 2.684 20 30 CFEDMN C#C[C@H](NC(=O)c1ccc2cncn2c1)c1ccc(F)cc1 ZINC000491723361 332308174 /nfs/dbraw/zinc/30/81/74/332308174.db2.gz AYHHXRSVMAEVOD-INIZCTEOSA-N 0 1 293.301 2.578 20 30 CFEDMN C#CCn1ccc(CN(CC)CC2(OC)CCCCC2)n1 ZINC000491725873 332309695 /nfs/dbraw/zinc/30/96/95/332309695.db2.gz IMVKOAVCVYZXJM-UHFFFAOYSA-N 0 1 289.423 2.688 20 30 CFEDMN C#C[C@H](C)N(C)Cc1cc(OC)c(OCC)c(OC)c1 ZINC000491780426 332344664 /nfs/dbraw/zinc/34/46/64/332344664.db2.gz DJAZTBMRCHZIRI-LBPRGKRZSA-N 0 1 277.364 2.556 20 30 CFEDMN N#CCCNCCc1c[nH]c2cccc(Br)c12 ZINC000575742365 335110930 /nfs/dbraw/zinc/11/09/30/335110930.db2.gz CNRXHYAUORXKEJ-UHFFFAOYSA-N 0 1 292.180 2.976 20 30 CFEDMN C[C@@H](CCC#N)[N@H+]1C[C@H](c2cnn(C)c2)C(C)(C)C1 ZINC000516978765 333088799 /nfs/dbraw/zinc/08/87/99/333088799.db2.gz IRDBNJUTWUVVBU-GXTWGEPZSA-N 0 1 260.385 2.538 20 30 CFEDMN N#CCSCCC[N@@H+]1CCc2ccc([N+](=O)[O-])cc2C1 ZINC000088606135 333090365 /nfs/dbraw/zinc/09/03/65/333090365.db2.gz HYTVFJIBTVMMOO-UHFFFAOYSA-N 0 1 291.376 2.600 20 30 CFEDMN N#CCSCCCN1CCc2ccc([N+](=O)[O-])cc2C1 ZINC000088606135 333090366 /nfs/dbraw/zinc/09/03/66/333090366.db2.gz HYTVFJIBTVMMOO-UHFFFAOYSA-N 0 1 291.376 2.600 20 30 CFEDMN C=CCCOCCN[C@@H](C)c1cn2ccccc2n1 ZINC000517071019 333092159 /nfs/dbraw/zinc/09/21/59/333092159.db2.gz HCJGVABCVHBVLY-ZDUSSCGKSA-N 0 1 259.353 2.578 20 30 CFEDMN C[C@@H](NC[C@H](C#N)CCC#N)c1cccc(-n2cccn2)c1 ZINC000173206342 335129696 /nfs/dbraw/zinc/12/96/96/335129696.db2.gz MSDCBDRSBLVGEE-CABCVRRESA-N 0 1 293.374 2.966 20 30 CFEDMN N#CCC1CCN([C@H](C(=O)NC2CC2)c2ccccc2)CC1 ZINC000541951767 333804010 /nfs/dbraw/zinc/80/40/10/333804010.db2.gz KECLYMJACYIUTH-KRWDZBQOSA-N 0 1 297.402 2.632 20 30 CFEDMN C=CCCN1CCC[C@H]1C(=O)Nc1cc(C)ccc1OC ZINC000133146862 334020017 /nfs/dbraw/zinc/02/00/17/334020017.db2.gz NMYWQBKCHHMAOR-HNNXBMFYSA-N 0 1 288.391 2.983 20 30 CFEDMN CC(C)(C#N)CCN1CCC(C#N)(c2ccccn2)CC1 ZINC000548865305 334177517 /nfs/dbraw/zinc/17/75/17/334177517.db2.gz WZEISSWFSKYLPY-UHFFFAOYSA-N 0 1 282.391 2.879 20 30 CFEDMN Cc1oc(C2CC2)nc1C(=O)C(C#N)c1cc(C)nc(C)n1 ZINC000552243746 334307642 /nfs/dbraw/zinc/30/76/42/334307642.db2.gz IQMKSBMVZOYNGR-LBPRGKRZSA-N 0 1 296.330 2.757 20 30 CFEDMN CCN(C[C@H](C)C#N)C(=O)CN(C)[C@H](C)c1ccccc1 ZINC000249728080 334339586 /nfs/dbraw/zinc/33/95/86/334339586.db2.gz RIJGRXXHGLWBAM-HUUCEWRRSA-N 0 1 287.407 2.688 20 30 CFEDMN C[C@H](C#N)CN(C)C(=O)c1cccc(C(F)(F)F)c1O ZINC000566436874 334648966 /nfs/dbraw/zinc/64/89/66/334648966.db2.gz SFQAKLPSWWVZIL-MRVPVSSYSA-N 0 1 286.253 2.643 20 30 CFEDMN C#CCN1CCC(C(=O)N2CCC[C@@H]2[C@H](C)CCC)CC1 ZINC000155801007 334729813 /nfs/dbraw/zinc/72/98/13/334729813.db2.gz DANOECBSMKQVAS-NVXWUHKLSA-N 0 1 290.451 2.759 20 30 CFEDMN CC1=C(C(=O)NC2(C#N)CCN(C)CC2)CCC(C)(C)C1 ZINC000578483430 335639523 /nfs/dbraw/zinc/63/95/23/335639523.db2.gz SNRLDNZHGHVFTC-UHFFFAOYSA-N 0 1 289.423 2.617 20 30 CFEDMN CC(C)c1nc(CCNC[C@@H](C#N)CCC#N)cs1 ZINC000579111243 335710450 /nfs/dbraw/zinc/71/04/50/335710450.db2.gz YNXNLKFBXZAYRB-GFCCVEGCSA-N 0 1 276.409 2.842 20 30 CFEDMN CC(C)c1nc(CCNC[C@H](C#N)CCC#N)cs1 ZINC000579111244 335710465 /nfs/dbraw/zinc/71/04/65/335710465.db2.gz YNXNLKFBXZAYRB-LBPRGKRZSA-N 0 1 276.409 2.842 20 30 CFEDMN C=CCOCCC[N@H+](CC)C1CCC(C(=O)[O-])CC1 ZINC000581381536 336066109 /nfs/dbraw/zinc/06/61/09/336066109.db2.gz LFKQHLMYMYJOHJ-UHFFFAOYSA-N 0 1 269.385 2.544 20 30 CFEDMN CCn1c2ccccc2nc1CNCC1(CC#N)CC1 ZINC000581525283 336095131 /nfs/dbraw/zinc/09/51/31/336095131.db2.gz PGGHSUCOKYADSN-UHFFFAOYSA-N 0 1 268.364 2.840 20 30 CFEDMN Cc1c(C#N)cccc1-c1nc([C@@H](N)CC(C)C)no1 ZINC000414617348 533715596 /nfs/dbraw/zinc/71/55/96/533715596.db2.gz LFONRMRHKGVUIF-ZDUSSCGKSA-N 0 1 270.336 2.963 20 30 CFEDMN C#CCCN1CC[C@@H]1CN(C)C(=O)[C@@H]1C[C@H]1CC(C)(C)C ZINC001085604102 782112272 /nfs/dbraw/zinc/11/22/72/782112272.db2.gz XBUNAZBVAPNFHQ-ARFHVFGLSA-N 0 1 290.451 2.615 20 30 CFEDMN C#CCCN1CC[C@H]1CN(C)C(=O)c1ccc2occc2c1 ZINC001085610314 782115568 /nfs/dbraw/zinc/11/55/68/782115568.db2.gz OZTKUKBCQHWQPW-INIZCTEOSA-N 0 1 296.370 2.602 20 30 CFEDMN C=C(C)CN1CC[C@@H]1CN(C)C(=O)c1[nH]ccc1C1CC1 ZINC001085636182 782121474 /nfs/dbraw/zinc/12/14/74/782121474.db2.gz JTNWLEDJTMAXBL-CQSZACIVSA-N 0 1 287.407 2.615 20 30 CFEDMN Cc1cc(-c2cc3[nH]cnc3c(C#N)n2)cc(C)c1O ZINC001243304578 782121730 /nfs/dbraw/zinc/12/17/30/782121730.db2.gz MPPBQJAYYLJYCW-UHFFFAOYSA-N 0 1 264.288 2.819 20 30 CFEDMN C=C(C)C[N@@H+]1CC[C@H]1CN(C)C(=O)[C@@H]1C[C@@H]2CCCC[C@H]12 ZINC001085739937 782150528 /nfs/dbraw/zinc/15/05/28/782150528.db2.gz CSTHSLVSCQBOKY-LUKYLMHMSA-N 0 1 290.451 2.922 20 30 CFEDMN C=C(C)CN1CC[C@H]1CN(C)C(=O)[C@@H]1C[C@@H]2CCCC[C@H]12 ZINC001085739937 782150534 /nfs/dbraw/zinc/15/05/34/782150534.db2.gz CSTHSLVSCQBOKY-LUKYLMHMSA-N 0 1 290.451 2.922 20 30 CFEDMN C[C@@H]1CCC[C@H](NC(=O)N[C@@H]2CCc3nc[nH]c3C2)CC1 ZINC000329644179 533814902 /nfs/dbraw/zinc/81/49/02/533814902.db2.gz DDPDOMCXHXUJAI-FRRDWIJNSA-N 0 1 290.411 2.739 20 30 CFEDMN C=C(C)CN1CC[C@H]1CN(C)C(=O)c1cc[nH]c1C(C)C ZINC001085778774 782158914 /nfs/dbraw/zinc/15/89/14/782158914.db2.gz HBEGAJFNWCYDQS-AWEZNQCLSA-N 0 1 289.423 2.861 20 30 CFEDMN Cc1cc2c(cc1NC(=O)c1ccc(C#N)c(O)c1)OCO2 ZINC000188781101 534066879 /nfs/dbraw/zinc/06/68/79/534066879.db2.gz LBQWIXOFUNKHGL-UHFFFAOYSA-N 0 1 296.282 2.553 20 30 CFEDMN COC(=O)c1ccc(CN(C)[C@H](C)c2cccc(C#N)c2)[nH]1 ZINC000425364136 534097925 /nfs/dbraw/zinc/09/79/25/534097925.db2.gz FNESGKBUSCKVJO-GFCCVEGCSA-N 0 1 297.358 2.866 20 30 CFEDMN CCOCCN(CC)Cc1cccc(C#N)c1F ZINC000223537652 519909192 /nfs/dbraw/zinc/90/91/92/519909192.db2.gz PVBKREONUKQBGF-UHFFFAOYSA-N 0 1 250.317 2.556 20 30 CFEDMN CC[C@H](C)n1ncc(NC(=O)c2ccc(C#N)c(O)c2)c1C ZINC000361305390 522081679 /nfs/dbraw/zinc/08/16/79/522081679.db2.gz MXZITLTXEJQXEE-JTQLQIEISA-N 0 1 298.346 2.992 20 30 CFEDMN COc1cc(CNCc2cccc([N+](=O)[O-])c2)ccc1C#N ZINC000318236292 522466348 /nfs/dbraw/zinc/46/63/48/522466348.db2.gz ALPZPAZGKMFTFX-UHFFFAOYSA-N 0 1 297.314 2.765 20 30 CFEDMN CN(CCOc1ccc(C#N)cc1)Cc1ccoc1 ZINC000048554458 522905443 /nfs/dbraw/zinc/90/54/43/522905443.db2.gz FJICCVZGDFRTJB-UHFFFAOYSA-N 0 1 256.305 2.662 20 30 CFEDMN CN(Cc1ccc(C#N)c(F)c1)[C@H](CO)c1ccccc1 ZINC000361713255 523206372 /nfs/dbraw/zinc/20/63/72/523206372.db2.gz FZVKQWRKVJAVAI-QGZVFWFLSA-N 0 1 284.334 2.863 20 30 CFEDMN CC[C@H]1CN(CC)CCN1C(=O)Nc1ccc(C#N)cc1 ZINC000334946501 523272141 /nfs/dbraw/zinc/27/21/41/523272141.db2.gz COLOMKBGZRMESP-HNNXBMFYSA-N 0 1 286.379 2.506 20 30 CFEDMN COc1ccc(C#N)cc1CN[C@H](CCO)c1ccccc1 ZINC000305772632 523530608 /nfs/dbraw/zinc/53/06/08/523530608.db2.gz LCLLTLFEOSGRCT-QGZVFWFLSA-N 0 1 296.370 2.780 20 30 CFEDMN N#CCc1ccc(CN[C@H](CO)c2ccsc2)cc1 ZINC000352032877 534719689 /nfs/dbraw/zinc/71/96/89/534719689.db2.gz OTQZNEUZKPCDOZ-OAHLLOKOSA-N 0 1 272.373 2.637 20 30 CFEDMN N#CCc1cccc(NC(=O)[C@@H]2CCCc3[nH]ncc32)c1 ZINC000335007043 534733405 /nfs/dbraw/zinc/73/34/05/534733405.db2.gz WAOHZNUJIGNQDH-CYBMUJFWSA-N 0 1 280.331 2.534 20 30 CFEDMN N#CC(C(=O)c1nccc2ccccc21)c1ccncn1 ZINC000354471494 534741350 /nfs/dbraw/zinc/74/13/50/534741350.db2.gz SLIWHFILQAUZDV-ZDUSSCGKSA-N 0 1 274.283 2.515 20 30 CFEDMN CNC(=O)C[C@@H](NCc1cccc(C#N)c1)c1ccccc1 ZINC000360753430 524075462 /nfs/dbraw/zinc/07/54/62/524075462.db2.gz IIYCVXHTPUPJAH-QGZVFWFLSA-N 0 1 293.370 2.525 20 30 CFEDMN CNC(=O)C[C@H](NCc1ccc(C#N)cc1)c1ccccc1 ZINC000360774375 524075705 /nfs/dbraw/zinc/07/57/05/524075705.db2.gz YQVGQBLJSSDILX-KRWDZBQOSA-N 0 1 293.370 2.525 20 30 CFEDMN N#Cc1ccc(SCc2nc(C3(N)CCC3)no2)cc1 ZINC000414626147 534797938 /nfs/dbraw/zinc/79/79/38/534797938.db2.gz JRYGOCRHGLOAOG-UHFFFAOYSA-N 0 1 286.360 2.571 20 30 CFEDMN C[C@H](c1cccc(C#N)c1)N1CCC(O)(C(F)F)CC1 ZINC000336171679 526073424 /nfs/dbraw/zinc/07/34/24/526073424.db2.gz MCGWGECDSZUKCR-LLVKDONJSA-N 0 1 280.318 2.711 20 30 CFEDMN C[C@H](C1CC1)N(C)Cc1nnc(-c2ccc(C#N)cc2)o1 ZINC000075614687 526205495 /nfs/dbraw/zinc/20/54/95/526205495.db2.gz AYPMVKROLIOOKX-LLVKDONJSA-N 0 1 282.347 2.839 20 30 CFEDMN Cc1cnn([C@H]2CCN(Cc3cc(C#N)cs3)C2)c1 ZINC000334956753 526268456 /nfs/dbraw/zinc/26/84/56/526268456.db2.gz AVDYNIRKNHOGLL-ZDUSSCGKSA-N 0 1 272.377 2.572 20 30 CFEDMN C=C(C)CCN1CCN(c2ccc(C#N)cc2F)CC1 ZINC000352124170 526445891 /nfs/dbraw/zinc/44/58/91/526445891.db2.gz WQKZYKVLGLPENJ-UHFFFAOYSA-N 0 1 273.355 2.786 20 30 CFEDMN N#Cc1cc(CN2CCC[C@]3(CCOC3)C2)ccc1F ZINC000335039309 526550425 /nfs/dbraw/zinc/55/04/25/526550425.db2.gz HTOJSEXZKRWJHR-INIZCTEOSA-N 0 1 274.339 2.700 20 30 CFEDMN C=C(C)CN(CCSC)Cc1ccc(CO)o1 ZINC000352798850 526552230 /nfs/dbraw/zinc/55/22/30/526552230.db2.gz DOSSPBFCSVLGDB-UHFFFAOYSA-N 0 1 255.383 2.513 20 30 CFEDMN N#Cc1cc(Cl)ccc1CSc1cn[nH]n1 ZINC000336331999 526552486 /nfs/dbraw/zinc/55/24/86/526552486.db2.gz LLYUOJPIXDWDOF-UHFFFAOYSA-N 0 1 250.714 2.622 20 30 CFEDMN C=C(C)CN(CCOC(C)(C)C)Cc1ccc(CO)o1 ZINC000352796605 526552910 /nfs/dbraw/zinc/55/29/10/526552910.db2.gz GWZGQAWAQQCHNI-UHFFFAOYSA-N 0 1 281.396 2.965 20 30 CFEDMN N#Cc1cc(F)ccc1CN1CCC[C@@H]2COCC[C@H]21 ZINC000336041902 526558585 /nfs/dbraw/zinc/55/85/85/526558585.db2.gz NWPQIAXCNOMCME-CZUORRHYSA-N 0 1 274.339 2.698 20 30 CFEDMN N#Cc1ccc(-c2cnc(CN3CCCC3)o2)cc1 ZINC000158201331 526583277 /nfs/dbraw/zinc/58/32/77/526583277.db2.gz WRCXVYZHFQRVDM-UHFFFAOYSA-N 0 1 253.305 2.809 20 30 CFEDMN CN(Cc1cc(C(C)(C)C)[nH]n1)c1cccc(C#N)n1 ZINC000444867552 536456011 /nfs/dbraw/zinc/45/60/11/536456011.db2.gz CFPWMCAWDBBZLE-UHFFFAOYSA-N 0 1 269.352 2.610 20 30 CFEDMN N#Cc1ccc(C(=O)Nc2ccc3nc[nH]c3c2)cc1 ZINC000082270488 526602395 /nfs/dbraw/zinc/60/23/95/526602395.db2.gz ZADKMCVTVRWJJS-UHFFFAOYSA-N 0 1 262.272 2.687 20 30 CFEDMN N#Cc1ccc(CN2CCC(c3c[nH]cn3)CC2)c(F)c1 ZINC000334782552 526610573 /nfs/dbraw/zinc/61/05/73/526610573.db2.gz WKDQALGTYXTYRQ-UHFFFAOYSA-N 0 1 284.338 2.800 20 30 CFEDMN C=CCNC(=O)[C@@H](C)N(C)CCc1ccc(Cl)cc1 ZINC000113266167 526621850 /nfs/dbraw/zinc/62/18/50/526621850.db2.gz DCRBAGJVSZTIDI-GFCCVEGCSA-N 0 1 280.799 2.505 20 30 CFEDMN N#Cc1ccc(F)c(CN[C@H](CCO)c2ccccc2)c1 ZINC000305774630 526639446 /nfs/dbraw/zinc/63/94/46/526639446.db2.gz MQEJUHWRICGGBZ-QGZVFWFLSA-N 0 1 284.334 2.911 20 30 CFEDMN N#Cc1cccc(CN2CCCC[C@@H]2C2(O)CC2)c1F ZINC000334791776 526703393 /nfs/dbraw/zinc/70/33/93/526703393.db2.gz AAQQINYNFCPHSU-CQSZACIVSA-N 0 1 274.339 2.577 20 30 CFEDMN N#Cc1cccc(NC(=O)CN2CCC3(CCCC3)C2)c1 ZINC000173826267 526715782 /nfs/dbraw/zinc/71/57/82/526715782.db2.gz WJQILANFROETPN-UHFFFAOYSA-N 0 1 283.375 2.763 20 30 CFEDMN N#Cc1ccccc1C[N@@H+]1CCCC[C@H]1CCC(=O)[O-] ZINC000050924987 526734938 /nfs/dbraw/zinc/73/49/38/526734938.db2.gz GYMBEEUOTSKOSW-HNNXBMFYSA-N 0 1 272.348 2.778 20 30 CFEDMN C=CCOCCCN(C)CC(=O)Nc1ccccc1CC ZINC000347961724 526746544 /nfs/dbraw/zinc/74/65/44/526746544.db2.gz AUJIGBFQHURKQU-UHFFFAOYSA-N 0 1 290.407 2.712 20 30 CFEDMN C#CCN1CCC(c2nc(-c3ccc(F)c(C)c3)no2)CC1 ZINC000109556943 526936435 /nfs/dbraw/zinc/93/64/35/526936435.db2.gz IZMFVECSQLWTKO-UHFFFAOYSA-N 0 1 299.349 2.997 20 30 CFEDMN CC(C)(CCC#N)CN1CCN(Cc2cscn2)CC1 ZINC000352653084 526986361 /nfs/dbraw/zinc/98/63/61/526986361.db2.gz UNFPSYWWKRCYNU-UHFFFAOYSA-N 0 1 292.452 2.591 20 30 CFEDMN Cn1nc2c(c1CNCc1cc(C#N)cs1)CCCC2 ZINC000361055398 527558680 /nfs/dbraw/zinc/55/86/80/527558680.db2.gz WAUZFDMTBJZTKG-UHFFFAOYSA-N 0 1 286.404 2.522 20 30 CFEDMN Cc1nn(C)cc1[C@@H]1CCCN1Cc1ccc(C#N)cc1 ZINC000366094460 527698142 /nfs/dbraw/zinc/69/81/42/527698142.db2.gz JTRQJZSORSZCAK-KRWDZBQOSA-N 0 1 280.375 2.937 20 30 CFEDMN CC(C)C[C@H](N)c1noc(Cc2ccc(C#N)cc2)n1 ZINC000414618696 528558021 /nfs/dbraw/zinc/55/80/21/528558021.db2.gz MYZCGKJUXWQRSO-ZDUSSCGKSA-N 0 1 270.336 2.578 20 30 CFEDMN CC1(C)CCCN(C(=O)c2cccc3c[nH]nc32)[C@H]1C#N ZINC000336171967 528930160 /nfs/dbraw/zinc/93/01/60/528930160.db2.gz NSDLFTLZMJIYJF-ZDUSSCGKSA-N 0 1 282.347 2.717 20 30 CFEDMN C=CCCN1CC[C@H]1CN(C)C(=O)c1occc1CC ZINC001085802342 782167681 /nfs/dbraw/zinc/16/76/81/782167681.db2.gz RECZKAUPUZKPEY-AWEZNQCLSA-N 0 1 276.380 2.564 20 30 CFEDMN CC[C@H](C)c1nc([C@H](C)Nc2ncc(C#N)cc2F)n[nH]1 ZINC000413268984 529277763 /nfs/dbraw/zinc/27/77/63/529277763.db2.gz SSINNCRIOQPAGT-IUCAKERBSA-N 0 1 288.330 2.897 20 30 CFEDMN COc1ccc(C=C(C)c2nc(C)c(C#N)c(=O)[nH]2)cc1C ZINC000435337880 536571192 /nfs/dbraw/zinc/57/11/92/536571192.db2.gz ZGTXTZQPJQSLRI-DHZHZOJOSA-N 0 1 295.342 2.828 20 30 CFEDMN COC1(C(=O)Nc2cc(C#N)ccc2O)CCCCCC1 ZINC000935107685 649876573 /nfs/dbraw/zinc/87/65/73/649876573.db2.gz JPQPBAUVEIFGKP-UHFFFAOYSA-N 0 1 288.347 2.942 20 30 CFEDMN Cc1cc([C@@H](C#N)C(=O)[C@H](C)c2ccco2)nc(C)n1 ZINC000744026736 574049674 /nfs/dbraw/zinc/04/96/74/574049674.db2.gz VMDHPNMZMCHRPA-ZYHUDNBSSA-N 0 1 269.304 2.666 20 30 CFEDMN Cc1cc([C@H](C#N)C(=O)[C@@H](C)c2ccco2)nc(C)n1 ZINC000744026734 574049697 /nfs/dbraw/zinc/04/96/97/574049697.db2.gz VMDHPNMZMCHRPA-JQWIXIFHSA-N 0 1 269.304 2.666 20 30 CFEDMN Cc1cc([C@@H](C#N)C(=O)[C@@H](C)c2ccco2)nc(C)n1 ZINC000744026733 574049902 /nfs/dbraw/zinc/04/99/02/574049902.db2.gz VMDHPNMZMCHRPA-CMPLNLGQSA-N 0 1 269.304 2.666 20 30 CFEDMN Cc1cc([C@H](C#N)C(=O)[C@H]2Cc3ccccc32)nc(C)n1 ZINC000744026466 574049954 /nfs/dbraw/zinc/04/99/54/574049954.db2.gz NOSAIMFKXPPMBK-GJZGRUSLSA-N 0 1 277.327 2.610 20 30 CFEDMN Cc1ccc2c(c1)C(=NNC1=N[C@@H]3CCCC[C@H]3N1)CCC2 ZINC000753930041 574055292 /nfs/dbraw/zinc/05/52/92/574055292.db2.gz TVTVMFMCVUZQHH-IAGOWNOFSA-N 0 1 296.418 2.895 20 30 CFEDMN CC(=NNC1=N[C@H]2CCCC[C@@H]2N1)c1ccc(F)c(F)c1 ZINC000753934221 574055865 /nfs/dbraw/zinc/05/58/65/574055865.db2.gz HOKZREURIJVWCH-KBPBESRZSA-N 0 1 292.333 2.549 20 30 CFEDMN CC(=NNC1=N[C@@H]2CCCC[C@@H]2N1)c1cccc(Cl)c1 ZINC000753936131 574056662 /nfs/dbraw/zinc/05/66/62/574056662.db2.gz QUHPPKNLPJIXTN-OKILXGFUSA-N 0 1 290.798 2.924 20 30 CFEDMN Cc1[nH]c2ccccc2c1C=NNC1=N[C@@H]2CCCC[C@@H]2N1 ZINC000753937765 574056770 /nfs/dbraw/zinc/05/67/70/574056770.db2.gz GIYXPWKNEYSFIT-IYBDPMFKSA-N 0 1 295.390 2.670 20 30 CFEDMN CC(=NNC1=N[C@@H]2CCCC[C@@H]2N1)c1cc(F)ccc1F ZINC000753936446 574056793 /nfs/dbraw/zinc/05/67/93/574056793.db2.gz UMRNROBVTHNGFL-OKILXGFUSA-N 0 1 292.333 2.549 20 30 CFEDMN CC(=CN=NC1=N[C@H]2CCCC[C@H]2N1)Cc1ccccc1 ZINC000753935905 574056824 /nfs/dbraw/zinc/05/68/24/574056824.db2.gz PXFNKVLLVSOHJY-YCPSTZKJSA-N 0 1 282.391 2.936 20 30 CFEDMN O=[N+]([O-])c1ccc(N=NC2CN3CCC2CC3)c(Cl)c1 ZINC000727649462 574058089 /nfs/dbraw/zinc/05/80/89/574058089.db2.gz JLFNFQBCHUULLQ-UHFFFAOYSA-N 0 1 294.742 2.742 20 30 CFEDMN Cc1n[nH]cc1CN=Nc1ccc([N+](=O)[O-])cc1Cl ZINC000727650442 574058745 /nfs/dbraw/zinc/05/87/45/574058745.db2.gz XBVRQSXCZQDPKQ-UHFFFAOYSA-N 0 1 279.687 2.726 20 30 CFEDMN C[C@@H]1CC(N=Nc2ccccc2[N+](=O)[O-])CN1C1CC1 ZINC000753968467 574060653 /nfs/dbraw/zinc/06/06/53/574060653.db2.gz XDLVIZXOYVOAIC-SNVBAGLBSA-N 0 1 274.324 2.619 20 30 CFEDMN C#CCN(CC(=O)N1C[C@@H](C)C[C@H](C)C1)C1CCCCC1 ZINC000744212611 574061394 /nfs/dbraw/zinc/06/13/94/574061394.db2.gz UOUIRSOAVSDYHU-HOTGVXAUSA-N 0 1 290.451 2.759 20 30 CFEDMN COC1(C(=O)C(C#N)c2cnc3ccccc3n2)CCCC1 ZINC000754008692 574063099 /nfs/dbraw/zinc/06/30/99/574063099.db2.gz GQRBIASAARCCAP-LBPRGKRZSA-N 0 1 295.342 2.765 20 30 CFEDMN C[C@H](C#N)C(=O)N[C@H](C)c1nc2ccc(Cl)cc2[nH]1 ZINC000736679741 574065177 /nfs/dbraw/zinc/06/51/77/574065177.db2.gz KOTJNXAWECLZTL-HTQZYQBOSA-N 0 1 276.727 2.553 20 30 CFEDMN N#CC(C(=O)[C@@H]1CCCOC1)c1ccc2ccccc2n1 ZINC000727952834 574074719 /nfs/dbraw/zinc/07/47/19/574074719.db2.gz SPZGYCNNHUTZBJ-KGLIPLIRSA-N 0 1 280.327 2.838 20 30 CFEDMN C[C@@H](NCC1(C)OCCCO1)c1ccc(C#N)cc1F ZINC000754124071 574075452 /nfs/dbraw/zinc/07/54/52/574075452.db2.gz SQMBGJRRUFGWGD-LLVKDONJSA-N 0 1 278.327 2.501 20 30 CFEDMN C[C@H]1CCC[N@H+]([C@@H](C(=O)[O-])c2ccc(C#N)cc2)CC1 ZINC000736793128 574075587 /nfs/dbraw/zinc/07/55/87/574075587.db2.gz JUALAUNBINTVGX-SWLSCSKDSA-N 0 1 272.348 2.806 20 30 CFEDMN C[C@H](C#N)Oc1ccc(CN2CC(C)(C)OC[C@@H]2C)cc1 ZINC000754157126 574078883 /nfs/dbraw/zinc/07/88/83/574078883.db2.gz YOHDFYOBBPJKEI-UONOGXRCSA-N 0 1 288.391 2.977 20 30 CFEDMN Cc1nc2ccccn2c1CNCC#Cc1ccccc1 ZINC000754349830 574090027 /nfs/dbraw/zinc/09/00/27/574090027.db2.gz OHQRSMBIPOSSLA-UHFFFAOYSA-N 0 1 275.355 2.784 20 30 CFEDMN N#Cc1ccc(F)c(CN[C@@H](CCO)c2cccs2)c1 ZINC000754384253 574092636 /nfs/dbraw/zinc/09/26/36/574092636.db2.gz LOCXAQMSPHVPPF-AWEZNQCLSA-N 0 1 290.363 2.972 20 30 CFEDMN C=CCCC[N@@H+]1CCC[C@H]([C@@H]2CCCN2C(=O)[O-])C1 ZINC000738493085 574095353 /nfs/dbraw/zinc/09/53/53/574095353.db2.gz JZCGDBBTNMSZQE-KBPBESRZSA-N 0 1 266.385 2.807 20 30 CFEDMN CC(C)CN(CCC#N)CCN(C)c1ccccc1 ZINC000754658216 574111282 /nfs/dbraw/zinc/11/12/82/574111282.db2.gz JZZKENMTRSONIS-UHFFFAOYSA-N 0 1 259.397 2.994 20 30 CFEDMN Fc1ccc(N=NC2CCOc3ccccc32)nc1 ZINC000731318202 574116219 /nfs/dbraw/zinc/11/62/19/574116219.db2.gz HDRSMENRKAVXIP-UHFFFAOYSA-N 0 1 257.268 2.819 20 30 CFEDMN Fc1ccc(N=NC2CCN(Cc3ccccn3)CC2)nc1 ZINC000731321382 574116486 /nfs/dbraw/zinc/11/64/86/574116486.db2.gz HECWGAOHVOWZGU-UHFFFAOYSA-N 0 1 299.353 2.680 20 30 CFEDMN COCCOc1cccc(C=NNc2ccc(F)cn2)c1 ZINC000731322028 574116578 /nfs/dbraw/zinc/11/65/78/574116578.db2.gz VXJKBQADKIIRMG-UHFFFAOYSA-N 0 1 289.310 2.692 20 30 CFEDMN CCC(C)(C)CC(=O)[C@@H](C#N)C(=O)Nc1ccccn1 ZINC000745949411 574128727 /nfs/dbraw/zinc/12/87/27/574128727.db2.gz JNYLQCQFMLYWJR-LLVKDONJSA-N 0 1 273.336 2.555 20 30 CFEDMN Cc1ccc2nc(CN=Cc3cccc(O)c3O)[nH]c2c1 ZINC000745975995 574130314 /nfs/dbraw/zinc/13/03/14/574130314.db2.gz DCZAJGHKWPUBDZ-CAOOACKPSA-N 0 1 281.315 2.902 20 30 CFEDMN C[N@@H+](Cc1ccc(OCC#N)cc1)Cc1ccccc1O ZINC000731843471 574130462 /nfs/dbraw/zinc/13/04/62/574130462.db2.gz IQWVPBWOONPUAN-UHFFFAOYSA-N 0 1 282.343 2.927 20 30 CFEDMN CC(=NNc1cc(C)ncn1)c1cc(F)ccc1F ZINC000731934588 574135007 /nfs/dbraw/zinc/13/50/07/574135007.db2.gz DBAGLSTUHIGMHN-UHFFFAOYSA-N 0 1 262.263 2.899 20 30 CFEDMN Cc1cc(NN=Cc2cnn(-c3ccc(F)cc3)c2)ncn1 ZINC000731934860 574135096 /nfs/dbraw/zinc/13/50/96/574135096.db2.gz JWAKISIQVQAMDG-UHFFFAOYSA-N 0 1 296.309 2.556 20 30 CFEDMN Cc1cc(=NN=Cc2ccc([C@@H]3C[C@H]3C)o2)nc[nH]1 ZINC000731935830 574135499 /nfs/dbraw/zinc/13/54/99/574135499.db2.gz TZZNCABIHWNNCX-BXKDBHETSA-N 0 1 256.309 2.947 20 30 CFEDMN C=CCN(CC=C)C(=O)CN(CCc1ccccc1)C1CC1 ZINC000746122975 574135538 /nfs/dbraw/zinc/13/55/38/574135538.db2.gz BSUADMWPDHNPSJ-UHFFFAOYSA-N 0 1 298.430 2.894 20 30 CFEDMN CC(=NNc1cc(C)ncn1)c1ccc(C)c([N+](=O)[O-])c1 ZINC000731935062 574135716 /nfs/dbraw/zinc/13/57/16/574135716.db2.gz OSNJVULEPSWFCC-UHFFFAOYSA-N 0 1 285.307 2.838 20 30 CFEDMN C[N@@H+](Cc1ccccc1)[C@@H](C(=O)[O-])c1ccc(C#N)cc1 ZINC000737492900 574144767 /nfs/dbraw/zinc/14/47/67/574144767.db2.gz XYCIMTKOINHBFC-MRXNPFEDSA-N 0 1 280.327 2.816 20 30 CFEDMN C#CCNCC(=O)N(Cc1ccc(C(C)C)cc1)C1CC1 ZINC000746513485 574152874 /nfs/dbraw/zinc/15/28/74/574152874.db2.gz JIPXPDQVRGJSRG-UHFFFAOYSA-N 0 1 284.403 2.524 20 30 CFEDMN CCCCCCCCN1CC[C@](F)(C(=O)OC)C1 ZINC000752094457 574159269 /nfs/dbraw/zinc/15/92/69/574159269.db2.gz QVYWAJZEVVGYRC-CQSZACIVSA-N 0 1 259.365 2.934 20 30 CFEDMN COc1ccc(CNCc2cnc3ccccn23)cc1C#N ZINC000746734738 574164661 /nfs/dbraw/zinc/16/46/61/574164661.db2.gz ZYZIEOGMJHKIRX-UHFFFAOYSA-N 0 1 292.342 2.504 20 30 CFEDMN O=[N+]([O-])c1cccc(NN=Cc2cccc(F)c2O)c1 ZINC000755481540 574164776 /nfs/dbraw/zinc/16/47/76/574164776.db2.gz LIDRGVKHZZCFLK-UHFFFAOYSA-N 0 1 275.239 2.886 20 30 CFEDMN Cc1nc[nH]c1C=NNC(=S)Nc1cc(C)ccc1C ZINC000755491519 574165223 /nfs/dbraw/zinc/16/52/23/574165223.db2.gz ZRMCJASWXLIUOP-UHFFFAOYSA-N 0 1 287.392 2.655 20 30 CFEDMN CCCCCCCC(=O)NCc1cc(CC)[nH]n1 ZINC000732793039 574171778 /nfs/dbraw/zinc/17/17/78/574171778.db2.gz KANQNZAZJCJRBZ-UHFFFAOYSA-N 0 1 251.374 2.949 20 30 CFEDMN CCC[C@H](C)C=Nn1c(=O)c2ccccc2[nH]c1=S ZINC000755618248 574172291 /nfs/dbraw/zinc/17/22/91/574172291.db2.gz YKFNOLAXKNKBQD-JTQLQIEISA-N 0 1 275.377 2.955 20 30 CFEDMN CCC[C@@H](C)C=Nn1c(=O)c2ccccc2[nH]c1=S ZINC000755618249 574172348 /nfs/dbraw/zinc/17/23/48/574172348.db2.gz YKFNOLAXKNKBQD-SNVBAGLBSA-N 0 1 275.377 2.955 20 30 CFEDMN O=[N+]([O-])c1ccc(N=NCc2ccc(O)cn2)c(Cl)c1 ZINC000755688667 574178102 /nfs/dbraw/zinc/17/81/02/574178102.db2.gz CLDASNVNHRAXDX-UHFFFAOYSA-N 0 1 292.682 2.795 20 30 CFEDMN Cc1ccnc(NN=Cc2n[nH]nc2-c2ccccc2)c1 ZINC000755771457 574186345 /nfs/dbraw/zinc/18/63/45/574186345.db2.gz TXEURFMZXLYDGK-UHFFFAOYSA-N 0 1 278.319 2.621 20 30 CFEDMN Cc1nc2ccc(NC(=O)C#Cc3ccccc3)cc2[nH]1 ZINC000747353488 574192672 /nfs/dbraw/zinc/19/26/72/574192672.db2.gz GSMBNIJHJXAGPS-UHFFFAOYSA-N 0 1 275.311 2.862 20 30 CFEDMN C[C@H]1CN(C2CC2)CC1N=Nc1ccc(F)cc1F ZINC000755874985 574193824 /nfs/dbraw/zinc/19/38/24/574193824.db2.gz SOLOUNDNNRNOTL-VIFPVBQESA-N 0 1 265.307 2.847 20 30 CFEDMN Cc1ccnc(N=NCc2c[nH]nc2C(C)(C)C)c1 ZINC000755901842 574195418 /nfs/dbraw/zinc/19/54/18/574195418.db2.gz HURGBMKIPSDKFB-UHFFFAOYSA-N 0 1 257.341 2.857 20 30 CFEDMN Cc1[nH]ncc1CN=Nc1nc(C(F)(F)F)cs1 ZINC000755902918 574196308 /nfs/dbraw/zinc/19/63/08/574196308.db2.gz BOQJXTLVDFEJAR-UHFFFAOYSA-N 0 1 275.259 2.639 20 30 CFEDMN N#CC(C(=O)Nc1ccccc1)C(=O)[C@H]1CC12CCCC2 ZINC000747477512 574197542 /nfs/dbraw/zinc/19/75/42/574197542.db2.gz AYHXWMVBCRTOHL-UONOGXRCSA-N 0 1 282.343 2.914 20 30 CFEDMN CC[C@@H](C(=O)OCC1CCC(C#N)CC1)N(CC)CC ZINC000755973443 574201027 /nfs/dbraw/zinc/20/10/27/574201027.db2.gz KGKOPSDIZYKWGT-NRXISQOPSA-N 0 1 280.412 2.980 20 30 CFEDMN C[C@@H]1CC(=NNCCN2CCCCC2)C[C@@H](C)C1 ZINC000747752667 574210392 /nfs/dbraw/zinc/21/03/92/574210392.db2.gz ACUUSDZTFFRKND-KBPBESRZSA-N 0 1 251.418 2.874 20 30 CFEDMN COc1ccc(C)cc1C(C)N=Nc1ccnc(N(C)C)n1 ZINC000739413244 574212375 /nfs/dbraw/zinc/21/23/75/574212375.db2.gz KMVCVWNAQUAZMG-UHFFFAOYSA-N 0 1 299.378 2.696 20 30 CFEDMN O=[N+]([O-])c1ccc(N=NCc2ccc(CO)o2)c(Cl)c1 ZINC000739410319 574212431 /nfs/dbraw/zinc/21/24/31/574212431.db2.gz SYLMILQIAUOQTD-UHFFFAOYSA-N 0 1 295.682 2.780 20 30 CFEDMN C=CCN(CC1CCCCC1)CN1C[C@H](C)CC1=O ZINC000733296585 574219148 /nfs/dbraw/zinc/21/91/48/574219148.db2.gz PGIBDRSRBJLMPG-CQSZACIVSA-N 0 1 264.413 2.881 20 30 CFEDMN CC(C)=CCCC(C)=CCN=Nc1nccn(C)c1=O ZINC000748079283 574227885 /nfs/dbraw/zinc/22/78/85/574227885.db2.gz LCTYKECITQSJAB-LZSYLOPRSA-N 0 1 274.368 2.871 20 30 CFEDMN COC[C@@H]1CCN(Cc2cc(Cl)ccc2OCC#N)C1 ZINC000739918353 574228915 /nfs/dbraw/zinc/22/89/15/574228915.db2.gz FMNYULXBXZDWSR-GFCCVEGCSA-N 0 1 294.782 2.711 20 30 CFEDMN COC[C@H]1CCN(Cc2cc(Cl)ccc2OCC#N)C1 ZINC000739918359 574228960 /nfs/dbraw/zinc/22/89/60/574228960.db2.gz FMNYULXBXZDWSR-LBPRGKRZSA-N 0 1 294.782 2.711 20 30 CFEDMN C#CCN1CCC[C@@H]1COC(=O)CC1CCCCC1 ZINC000729808942 574233117 /nfs/dbraw/zinc/23/31/17/574233117.db2.gz HMQLNVZFOVEGHW-OAHLLOKOSA-N 0 1 263.381 2.598 20 30 CFEDMN C#CCN1CCC[C@H]1COC(=O)[C@@H](CC)c1ccccc1 ZINC000729809605 574233335 /nfs/dbraw/zinc/23/33/35/574233335.db2.gz MRVDIPAHDSOCET-IRXDYDNUSA-N 0 1 285.387 2.821 20 30 CFEDMN C#CCN1CCC[C@H]1COC(=O)C[C@H](C)CC(C)C ZINC000729812142 574233411 /nfs/dbraw/zinc/23/34/11/574233411.db2.gz NFBJGXFPMBXDSN-CABCVRRESA-N 0 1 265.397 2.700 20 30 CFEDMN C#CCN1CCC[C@H]1COC(=O)CCSCCCC ZINC000756542378 574245112 /nfs/dbraw/zinc/24/51/12/574245112.db2.gz LQKCPUMKEJKOSH-AWEZNQCLSA-N 0 1 283.437 2.551 20 30 CFEDMN C#CCN1CCC[C@H]1COC(=O)[C@@H]1CCCc2ccccc21 ZINC000756544889 574245484 /nfs/dbraw/zinc/24/54/84/574245484.db2.gz SFFZTPDMXCNZGW-FUHWJXTLSA-N 0 1 297.398 2.747 20 30 CFEDMN C#CCN1CCC[C@H]1COC(=O)C[C@H]1CCc2ccccc21 ZINC000756545767 574245906 /nfs/dbraw/zinc/24/59/06/574245906.db2.gz VGTMLOUNYSSUNA-SJORKVTESA-N 0 1 297.398 2.747 20 30 CFEDMN C#CCN1CCC[C@@H]1COC(=O)c1ccc(C(F)F)cc1 ZINC000756551692 574246418 /nfs/dbraw/zinc/24/64/18/574246418.db2.gz PJPGUEUHFFIQAQ-CQSZACIVSA-N 0 1 293.313 2.879 20 30 CFEDMN N#Cc1ccc(O)c(NC(=O)[C@@H]2Cc3ccccc32)c1 ZINC000748411872 574251297 /nfs/dbraw/zinc/25/12/97/574251297.db2.gz BFSQFIGTMOZDMI-CYBMUJFWSA-N 0 1 264.284 2.542 20 30 CFEDMN COc1ccc(C)cc1CC(=O)Nc1cc(C#N)ccc1O ZINC000748411216 574251405 /nfs/dbraw/zinc/25/14/05/574251405.db2.gz YTAYZMQUIXZZOR-UHFFFAOYSA-N 0 1 296.326 2.762 20 30 CFEDMN Cc1cc(N=NCc2ccc(Cl)nc2)nc(C)n1 ZINC000748784784 574266115 /nfs/dbraw/zinc/26/61/15/574266115.db2.gz BZMSYAMDTKOXHP-UHFFFAOYSA-N 0 1 261.716 2.588 20 30 CFEDMN Clc1cnccc1N=NCc1nc(-c2ccccc2)no1 ZINC000756837854 574266887 /nfs/dbraw/zinc/26/68/87/574266887.db2.gz DWMNDTYHZGDECL-UHFFFAOYSA-N 0 1 299.721 2.653 20 30 CFEDMN Oc1cccc2c1CCC2N=Nc1ccncc1Cl ZINC000756838093 574266924 /nfs/dbraw/zinc/26/69/24/574266924.db2.gz IHXKAQHNQJOXRS-UHFFFAOYSA-N 0 1 273.723 2.625 20 30 CFEDMN CN1Cc2ccccc2[C@H](/N=C/c2ccccc2O)C1 ZINC000756841466 574267272 /nfs/dbraw/zinc/26/72/72/574267272.db2.gz VFNIPXMMBNMZOA-VHWUNXFSSA-N 0 1 266.344 2.998 20 30 CFEDMN Cc1ccc(N=NCc2cnc(-c3ccccc3)[nH]2)nn1 ZINC000741464719 574291956 /nfs/dbraw/zinc/29/19/56/574291956.db2.gz TVLUKPOYYWATEE-UHFFFAOYSA-N 0 1 278.319 2.621 20 30 CFEDMN C=C(Br)CN1CCC[C@@H]([C@H]2CCOC2)C1 ZINC000749561312 574300490 /nfs/dbraw/zinc/30/04/90/574300490.db2.gz QDAJTYRYYBTVTM-NEPJUHHUSA-N 0 1 274.202 2.644 20 30 CFEDMN O=c1c2ccccc2[nH]c(=S)n1N=CC1CCCC1 ZINC000741847512 574306573 /nfs/dbraw/zinc/30/65/73/574306573.db2.gz MLWHMPQSFCLCHP-UHFFFAOYSA-N 0 1 273.361 2.709 20 30 CFEDMN CS[C@@H](C)C(=O)[C@H](C#N)c1nc2cccc(C)c2[nH]1 ZINC000735792076 574336076 /nfs/dbraw/zinc/33/60/76/574336076.db2.gz HFBMYPZQMPBZIF-UWVGGRQHSA-N 0 1 273.361 2.799 20 30 CFEDMN Fc1cccc2c1SCCC2N=Nc1cccnn1 ZINC000735973322 574345846 /nfs/dbraw/zinc/34/58/46/574345846.db2.gz GEMWGEFBOWKOLL-UHFFFAOYSA-N 0 1 274.324 2.928 20 30 CFEDMN c1cc(N2CCCCC2)sc1CN=Nc1cccnn1 ZINC000735973435 574345870 /nfs/dbraw/zinc/34/58/70/574345870.db2.gz JTTBGQFGBHDDQI-UHFFFAOYSA-N 0 1 287.392 2.974 20 30 CFEDMN C[C@H](C#N)C[N@H+](C)[C@@H](C(=O)[O-])c1cccc(Cl)c1 ZINC000736203899 574354102 /nfs/dbraw/zinc/35/41/02/574354102.db2.gz WKJVYHMMYQMGRR-BXKDBHETSA-N 0 1 266.728 2.557 20 30 CFEDMN C[C@H](C#N)C[N@@H+](C)[C@@H](C(=O)[O-])c1cccc(Cl)c1 ZINC000736203899 574354103 /nfs/dbraw/zinc/35/41/03/574354103.db2.gz WKJVYHMMYQMGRR-BXKDBHETSA-N 0 1 266.728 2.557 20 30 CFEDMN COc1cc(C=NNc2cc(C)ccn2)ccc1OC(C)=O ZINC000755904077 574365021 /nfs/dbraw/zinc/36/50/21/574365021.db2.gz AMUYPWRCFSCZFX-UHFFFAOYSA-N 0 1 299.330 2.770 20 30 CFEDMN Cn1c2ccccc2nc1C(C#N)C(=O)CCOCC1CC1 ZINC000751824117 574383425 /nfs/dbraw/zinc/38/34/25/574383425.db2.gz YCYWDMQVMVSBSJ-ZDUSSCGKSA-N 0 1 297.358 2.566 20 30 CFEDMN C[C@H]1CN(C)CC1N=Nc1ncc(Cl)cc1Cl ZINC000752158036 574388580 /nfs/dbraw/zinc/38/85/80/574388580.db2.gz IVAVRIRRESQZTP-ZETCQYMHSA-N 0 1 273.167 2.738 20 30 CFEDMN Cc1cccc2nc([C@H](C#N)C(=O)c3ccc(C#N)[nH]3)[nH]c21 ZINC000752503668 574392125 /nfs/dbraw/zinc/39/21/25/574392125.db2.gz DQEYTNPJXCEKGY-LLVKDONJSA-N 0 1 289.298 2.561 20 30 CFEDMN C[C@]1(C#N)CCCN(CC2CCC3(CC2)OCCO3)C1 ZINC000753749887 574409772 /nfs/dbraw/zinc/40/97/72/574409772.db2.gz QSNAKDZHPQQENW-OAHLLOKOSA-N 0 1 278.396 2.545 20 30 CFEDMN Cn1c2ccccc2nc1C(C#N)C(=O)C1CC(F)(F)C1 ZINC000753797878 574410492 /nfs/dbraw/zinc/41/04/92/574410492.db2.gz HPSLOSNXOGFFFC-SNVBAGLBSA-N 0 1 289.285 2.795 20 30 CFEDMN C=CC[N@H+](C/C=C(\C)C(=O)[O-])Cc1ccccc1F ZINC000825682190 601051779 /nfs/dbraw/zinc/05/17/79/601051779.db2.gz SBBWIGHRGUTPIB-XYOKQWHBSA-N 0 1 263.312 2.845 20 30 CFEDMN C=C(Br)CN1CCCCC[C@H]1CCO ZINC000792925854 629466479 /nfs/dbraw/zinc/46/64/79/629466479.db2.gz LTWCUSJZIUIKGO-NSHDSACASA-N 0 1 262.191 2.522 20 30 CFEDMN C#CC[N@H+](C/C=C(\C)C(=O)[O-])[C@@H]1CCc2ccccc21 ZINC000825614713 601049792 /nfs/dbraw/zinc/04/97/92/601049792.db2.gz VXZVSBOPDNRVAH-QSOAKEGCSA-N 0 1 269.344 2.640 20 30 CFEDMN C=CC[N@@H+](C/C=C(\C)C(=O)[O-])Cc1ccccc1F ZINC000825682190 601051777 /nfs/dbraw/zinc/05/17/77/601051777.db2.gz SBBWIGHRGUTPIB-XYOKQWHBSA-N 0 1 263.312 2.845 20 30 CFEDMN CC(C)(C#N)CCC[N@H+]1Cc2ccccc2C[C@@H]1C(=O)[O-] ZINC000087600051 601112397 /nfs/dbraw/zinc/11/23/97/601112397.db2.gz SRHOUMVYXSVUHS-OAHLLOKOSA-N 0 1 286.375 2.828 20 30 CFEDMN CC[C@H]1CCC[N@H+]([C@@H](C(=O)[O-])c2cccc(C#N)c2)C1 ZINC000829126404 601311331 /nfs/dbraw/zinc/31/13/31/601311331.db2.gz YMPVFNNRPDKORE-SWLSCSKDSA-N 0 1 272.348 2.806 20 30 CFEDMN C=CCCC[N@H+](C)Cn1nc(C(=O)[O-])c2ccccc21 ZINC000825671118 601400038 /nfs/dbraw/zinc/40/00/38/601400038.db2.gz DBZYCMQQPVSYKX-UHFFFAOYSA-N 0 1 273.336 2.590 20 30 CFEDMN O=C([O-])C[N@H+](CC#Cc1ccc(C(F)(F)F)cc1)C1CC1 ZINC000833248847 601465022 /nfs/dbraw/zinc/46/50/22/601465022.db2.gz VDXFCWCVACBDNC-UHFFFAOYSA-N 0 1 297.276 2.606 20 30 CFEDMN O=C([O-])C[N@@H+](CC#Cc1ccc(C(F)(F)F)cc1)C1CC1 ZINC000833248847 601465025 /nfs/dbraw/zinc/46/50/25/601465025.db2.gz VDXFCWCVACBDNC-UHFFFAOYSA-N 0 1 297.276 2.606 20 30 CFEDMN CCN(CCCOc1ccc(C#N)cc1)C[C@H](C)C#N ZINC000042324116 620649356 /nfs/dbraw/zinc/64/93/56/620649356.db2.gz VDIVCERETOSSST-CQSZACIVSA-N 0 1 271.364 2.809 20 30 CFEDMN C[N@@H+](Cc1ccsc1C(=O)[O-])Cc1cccc(C#N)c1 ZINC000110956803 601806470 /nfs/dbraw/zinc/80/64/70/601806470.db2.gz BHIRECHERQRNIO-UHFFFAOYSA-N 0 1 286.356 2.950 20 30 CFEDMN N#Cc1cc(F)ccc1C[N@H+](CC(=O)[O-])C1CCCC1 ZINC000071263879 602330738 /nfs/dbraw/zinc/33/07/38/602330738.db2.gz OIJHBCDCPJHECR-UHFFFAOYSA-N 0 1 276.311 2.527 20 30 CFEDMN C[C@H]1CCC[N@@H+](CCCC(C)(C)C#N)[C@H]1CNC(=O)[O-] ZINC000825926067 603721364 /nfs/dbraw/zinc/72/13/64/603721364.db2.gz UMKXIFNHKYPNIS-STQMWFEESA-N 0 1 281.400 2.684 20 30 CFEDMN C=C(C)CN1CCC[C@H](NC(=O)[C@H]2CCC(C)(C)C2)C1 ZINC001008445973 651148576 /nfs/dbraw/zinc/14/85/76/651148576.db2.gz BPESYHXETBWHTA-GJZGRUSLSA-N 0 1 278.440 2.969 20 30 CFEDMN C=CCOc1cccc(C[N@@H+](CC)CCC(=O)[O-])c1 ZINC000833378823 604596330 /nfs/dbraw/zinc/59/63/30/604596330.db2.gz OGQDQXVUHKMMST-UHFFFAOYSA-N 0 1 263.337 2.548 20 30 CFEDMN C#CCCOc1ccc(C[N@@H+]2CCCC[C@@H]2C(=O)[O-])cc1 ZINC000833365363 604652316 /nfs/dbraw/zinc/65/23/16/604652316.db2.gz QFPSDYAZAQJQIY-MRXNPFEDSA-N 0 1 287.359 2.528 20 30 CFEDMN CC[N@@H+](CCC(=O)[O-])Cc1ccccc1C(C)(C)C#N ZINC000829701551 604670774 /nfs/dbraw/zinc/67/07/74/604670774.db2.gz FCAJJQGOJDNYNH-UHFFFAOYSA-N 0 1 274.364 2.784 20 30 CFEDMN CC(C)(C#N)CC(=O)OC[C@H]1CCN1Cc1ccccc1 ZINC000851470066 634380984 /nfs/dbraw/zinc/38/09/84/634380984.db2.gz ZKPITAVPRKHECH-OAHLLOKOSA-N 0 1 286.375 2.744 20 30 CFEDMN CC(C)(C#N)CC[N@@H+]1[C@H](C(=O)[O-])C[C@@H]2CCCC[C@@H]21 ZINC000230055033 604994288 /nfs/dbraw/zinc/99/42/88/604994288.db2.gz FLLIRYRAOQKIPA-AVGNSLFASA-N 0 1 264.369 2.644 20 30 CFEDMN C#CCCC[N@H+](CCC(=O)[O-])Cc1ccc(F)c(F)c1 ZINC000833362504 605201449 /nfs/dbraw/zinc/20/14/49/605201449.db2.gz VTDYIXVYOZZIMH-UHFFFAOYSA-N 0 1 281.302 2.655 20 30 CFEDMN C[C@]1(C#N)CCC[N@@H+]([C@@H](C(=O)[O-])c2ccc(F)cc2)C1 ZINC000833551120 605419482 /nfs/dbraw/zinc/41/94/82/605419482.db2.gz GURLRNFKXMQGMX-UKRRQHHQSA-N 0 1 276.311 2.577 20 30 CFEDMN C[C@]1(C#N)CCC[N@H+]([C@@H](C(=O)[O-])c2ccc(F)cc2)C1 ZINC000833551120 605419487 /nfs/dbraw/zinc/41/94/87/605419487.db2.gz GURLRNFKXMQGMX-UKRRQHHQSA-N 0 1 276.311 2.577 20 30 CFEDMN N#Cc1cccc(C[N@@H+]2CCC3(C2)CCN(C(=O)[O-])CC3)c1 ZINC000833978001 605900275 /nfs/dbraw/zinc/90/02/75/605900275.db2.gz APVIMSSVZPDSQY-UHFFFAOYSA-N 0 1 299.374 2.524 20 30 CFEDMN CC(C)NCc1cn(CCCCC2(C#N)CCC2)nn1 ZINC000900611789 620694521 /nfs/dbraw/zinc/69/45/21/620694521.db2.gz IMBDOEJGUKUTGI-UHFFFAOYSA-N 0 1 275.400 2.640 20 30 CFEDMN C#CCN(C)[C@@H]1CCN(C(=O)c2ccc([C@H](C)CC)cc2)C1 ZINC000980493989 613086088 /nfs/dbraw/zinc/08/60/88/613086088.db2.gz KTFWZPOPUNVVFH-CRAIPNDOSA-N 0 1 298.430 2.980 20 30 CFEDMN C#CCN(C)[C@@H]1CCN(C(=O)c2cccc3ccsc32)C1 ZINC000972668596 613086295 /nfs/dbraw/zinc/08/62/95/613086295.db2.gz SNFAZRYUNOCQEZ-CQSZACIVSA-N 0 1 298.411 2.681 20 30 CFEDMN C#CCN(C)[C@H]1CCN(C(=O)[C@@H](C)c2ccc(CC)cc2)C1 ZINC000972553684 613091559 /nfs/dbraw/zinc/09/15/59/613091559.db2.gz CIVSOGVONDANTC-YJBOKZPZSA-N 0 1 298.430 2.518 20 30 CFEDMN C#CCN1CCCCC[C@@H]1CNC(=O)c1cc(C)c(C)o1 ZINC000968807028 613147066 /nfs/dbraw/zinc/14/70/66/613147066.db2.gz WIGVRUCHOFOEPD-OAHLLOKOSA-N 0 1 288.391 2.504 20 30 CFEDMN C#CCN1CCCCC[C@H]1CNC(=O)c1ccsc1C ZINC000968849943 613149699 /nfs/dbraw/zinc/14/96/99/613149699.db2.gz KLRBAXIDDGATKJ-AWEZNQCLSA-N 0 1 290.432 2.664 20 30 CFEDMN C#CCN1CCCCC[C@H]1CNC(=O)c1oc(C)cc1C ZINC000968794378 613150222 /nfs/dbraw/zinc/15/02/22/613150222.db2.gz SEFVCUZFYLBJJD-HNNXBMFYSA-N 0 1 288.391 2.504 20 30 CFEDMN C#CCN1CC[C@@H](NC(=O)C[C@H]2C=CCCC2)C(C)(C)C1 ZINC000940837736 613225845 /nfs/dbraw/zinc/22/58/45/613225845.db2.gz ZGSOWUVAOVPGFC-JKSUJKDBSA-N 0 1 288.435 2.583 20 30 CFEDMN C#CCN1CC[C@@H](NC(=O)c2cc3ccccc3o2)C[C@H]1C ZINC000948002818 613233772 /nfs/dbraw/zinc/23/37/72/613233772.db2.gz WTUSEPONRUPYTL-UKRRQHHQSA-N 0 1 296.370 2.649 20 30 CFEDMN C#CCN1CC[C@@H](NC(=O)c2csc(Cl)c2)C[C@H]1C ZINC000947776810 613243531 /nfs/dbraw/zinc/24/35/31/613243531.db2.gz YMTACDZXQBOWRC-ZYHUDNBSSA-N 0 1 296.823 2.617 20 30 CFEDMN C=C(C)CCN1CC(N(CC)C(=O)c2[nH]c(C)cc2C)C1 ZINC000950639911 613246223 /nfs/dbraw/zinc/24/62/23/613246223.db2.gz WHHANDYXTPCQMQ-UHFFFAOYSA-N 0 1 289.423 2.744 20 30 CFEDMN C#CCN1CC[C@H](NC(=O)C2=CCCCCC2)C(C)(C)C1 ZINC000940709996 613256992 /nfs/dbraw/zinc/25/69/92/613256992.db2.gz RTEVJDHKMCPDLH-INIZCTEOSA-N 0 1 288.435 2.727 20 30 CFEDMN C=C(C)CCN1CCN(C(=O)[C@@H]2CCCC[C@@H]2C)CC1 ZINC000949929988 613258984 /nfs/dbraw/zinc/25/89/84/613258984.db2.gz GQKJTUCATFBHMF-JKSUJKDBSA-N 0 1 278.440 2.923 20 30 CFEDMN C=C(C)CCN1CCN(C(=O)c2ccc3[nH]ccc3c2)CC1 ZINC000949964059 613261588 /nfs/dbraw/zinc/26/15/88/613261588.db2.gz LAISCOYKJNLSLQ-UHFFFAOYSA-N 0 1 297.402 2.892 20 30 CFEDMN C#CCN1CC[C@H](NC(=O)c2csc(C)c2C)C[C@@H]1C ZINC000947344384 613276872 /nfs/dbraw/zinc/27/68/72/613276872.db2.gz VXJGTLOEFLGLSK-FZMZJTMJSA-N 0 1 290.432 2.581 20 30 CFEDMN C=C(C)CN1CC([C@@H](C)NC(=O)c2ccc(F)s2)C1 ZINC000970962340 613300451 /nfs/dbraw/zinc/30/04/51/613300451.db2.gz PNGQDSRYIKRKKB-SNVBAGLBSA-N 0 1 282.384 2.513 20 30 CFEDMN C=C(C)CN1CCCN(C(=O)[C@@H]2CC[C@@H](C)C2)CC1 ZINC000982072328 613309571 /nfs/dbraw/zinc/30/95/71/613309571.db2.gz UAPFQXYSYWTTDT-HUUCEWRRSA-N 0 1 264.413 2.533 20 30 CFEDMN C=C(C)CN1CCCN(C(=O)[C@H]2CC[C@@H]3C[C@@H]3CC2)CC1 ZINC000981667873 613310114 /nfs/dbraw/zinc/31/01/14/613310114.db2.gz ZSVGGKFHOMFQHA-BJWYYQGGSA-N 0 1 290.451 2.923 20 30 CFEDMN C=C(C)CN1CCCN(C(=O)[C@H]2CCCC[C@@H]2C)CC1 ZINC000981844937 613310621 /nfs/dbraw/zinc/31/06/21/613310621.db2.gz HURJNTCFGDMZHY-HOTGVXAUSA-N 0 1 278.440 2.923 20 30 CFEDMN C=C(C)CN1CCCN(C(=O)c2cccc(F)c2F)CC1 ZINC000981842224 613312388 /nfs/dbraw/zinc/31/23/88/613312388.db2.gz ZVFURBPKLNHIGR-UHFFFAOYSA-N 0 1 294.345 2.689 20 30 CFEDMN C=C(C)CN1CCCN(C(=O)c2ccoc2Cl)CC1 ZINC000981042950 613312655 /nfs/dbraw/zinc/31/26/55/613312655.db2.gz YQXMIPBQOGSTAB-UHFFFAOYSA-N 0 1 282.771 2.657 20 30 CFEDMN C=C(C)CN1CC[C@@H](C)[C@@H](NC(=O)c2ccoc2Cl)C1 ZINC000965931617 613324326 /nfs/dbraw/zinc/32/43/26/613324326.db2.gz MZIMDOGLIXVKCJ-YPMHNXCESA-N 0 1 296.798 2.949 20 30 CFEDMN C=C(C)CN1CC[C@@H](C)[C@@H](NC(=O)c2cc(C)co2)C1 ZINC000967892024 613324496 /nfs/dbraw/zinc/32/44/96/613324496.db2.gz BQNTWQUMWMUPMT-KGLIPLIRSA-N 0 1 276.380 2.604 20 30 CFEDMN C=C(C)CN1CC[C@@H](C)[C@@H](NC(=O)c2coc(C)c2)C1 ZINC000965951685 613324932 /nfs/dbraw/zinc/32/49/32/613324932.db2.gz HFJSQNXUXCKGJQ-DOMZBBRYSA-N 0 1 276.380 2.604 20 30 CFEDMN C=C(C)CN1CC[C@@H](C)[C@H](NC(=O)c2cccs2)C1 ZINC000964802157 613326198 /nfs/dbraw/zinc/32/61/98/613326198.db2.gz IYRDMMVSJZDBOZ-CHWSQXEVSA-N 0 1 278.421 2.764 20 30 CFEDMN C=C(C)CN1CC[C@@H](C)[C@H](NC(=O)c2occc2CC)C1 ZINC000968255377 613326500 /nfs/dbraw/zinc/32/65/00/613326500.db2.gz QYLMJTYKOADDDX-UKRRQHHQSA-N 0 1 290.407 2.858 20 30 CFEDMN C=C(C)CN1CC[C@H](C)[C@H](NC(=O)c2cc(C)oc2C)C1 ZINC000964931354 613333864 /nfs/dbraw/zinc/33/38/64/613333864.db2.gz DGHFAKJLGOBAAD-BLLLJJGKSA-N 0 1 290.407 2.913 20 30 CFEDMN C=C(C)CN1CC[C@H](C)[C@H](NC(=O)c2cc(C)c(C)o2)C1 ZINC000965905201 613333997 /nfs/dbraw/zinc/33/39/97/613333997.db2.gz GKSZJUOGSHLQPM-SWLSCSKDSA-N 0 1 290.407 2.913 20 30 CFEDMN C=C(C)CN1CC[C@H](C)[C@H](NC(=O)c2occc2C)C1 ZINC000965176316 613334490 /nfs/dbraw/zinc/33/44/90/613334490.db2.gz IZEONEPAJFFALC-GXTWGEPZSA-N 0 1 276.380 2.604 20 30 CFEDMN C=C(Cl)CN1CCC[C@@H](N(C)C(=O)[C@H]2CC23CC3)CC1 ZINC000948810054 613374166 /nfs/dbraw/zinc/37/41/66/613374166.db2.gz YVMRGJITZGMQIV-ZIAGYGMSSA-N 0 1 296.842 2.852 20 30 CFEDMN C=C(Cl)CN1CCC[C@H](N(C)C(=O)C(C)(F)F)CC1 ZINC000948130726 613374388 /nfs/dbraw/zinc/37/43/88/613374388.db2.gz BWLILNGSJBVAPY-NSHDSACASA-N 0 1 294.773 2.707 20 30 CFEDMN C=C(Cl)CN1CCC[C@H](N(C)C(=O)c2ccc[nH]2)CC1 ZINC000948181309 613374444 /nfs/dbraw/zinc/37/44/44/613374444.db2.gz KGIZQNICHXRXGT-ZDUSSCGKSA-N 0 1 295.814 2.694 20 30 CFEDMN C=C(Cl)CN[C@@H]1CCN(C(=O)C[C@@H](C)c2ccco2)C1 ZINC000970499920 613384564 /nfs/dbraw/zinc/38/45/64/613384564.db2.gz BBZIRUSFBMIIOU-DGCLKSJQSA-N 0 1 296.798 2.716 20 30 CFEDMN C=C(Cl)CN[C@@H]1CCN(C(=O)[C@@H]2C[C@@H]3CCCC[C@H]23)C1 ZINC000969437373 613385294 /nfs/dbraw/zinc/38/52/94/613385294.db2.gz VATSZLLWNJPNTQ-LJISPDSOSA-N 0 1 296.842 2.756 20 30 CFEDMN C=C(Cl)CN[C@@H]1CCN(C(=O)c2c(C)cccc2C)C1 ZINC000970063993 613385410 /nfs/dbraw/zinc/38/54/10/613385410.db2.gz ZKVKGTNSPUBFHV-CQSZACIVSA-N 0 1 292.810 2.860 20 30 CFEDMN C=C(Cl)CN[C@@H]1CN(C(=O)c2csc(C)c2)C[C@@H]1C ZINC000939308608 613386457 /nfs/dbraw/zinc/38/64/57/613386457.db2.gz QNKSCEGTLRKHGQ-TVQRCGJNSA-N 0 1 298.839 2.859 20 30 CFEDMN C=C[C@@](C)(CC)C(=O)N1CC[C@@H](NCC(=C)Cl)C1 ZINC000969830730 613474638 /nfs/dbraw/zinc/47/46/38/613474638.db2.gz SDITXOQTUJBNQA-OCCSQVGLSA-N 0 1 270.804 2.532 20 30 CFEDMN C=CCCN1CCCN(C(=O)c2nc(Cl)cs2)CC1 ZINC000981821284 613498924 /nfs/dbraw/zinc/49/89/24/613498924.db2.gz DWLISKHCHKDMCL-UHFFFAOYSA-N 0 1 299.827 2.521 20 30 CFEDMN C=CCCN1CCN(C(=O)C[C@@H]2CC[C@H](C)C2)CC1 ZINC000949737281 613503633 /nfs/dbraw/zinc/50/36/33/613503633.db2.gz BIWVNGQLANSSPG-LSDHHAIUSA-N 0 1 264.413 2.533 20 30 CFEDMN C=CCCN1CCN(C(=O)C[C@@H]2CCc3ccccc32)CC1 ZINC000952343555 613503998 /nfs/dbraw/zinc/50/39/98/613503998.db2.gz BEMAMLIBMOJUQV-KRWDZBQOSA-N 0 1 298.430 2.827 20 30 CFEDMN C=CCCN1CCN(C(=O)[C@H]2CC[C@H](C)CC2)CC1 ZINC000957398029 613506220 /nfs/dbraw/zinc/50/62/20/613506220.db2.gz JERMFIRAMGBSQW-SHTZXODSSA-N 0 1 264.413 2.533 20 30 CFEDMN C=CCCN1CCN(C(=O)[C@@H]2CCC[C@@H]2CCC)CC1 ZINC000948993257 613506272 /nfs/dbraw/zinc/50/62/72/613506272.db2.gz VYGKFBRSWLSTGR-JKSUJKDBSA-N 0 1 278.440 2.923 20 30 CFEDMN C=CCCN1CCN(C(=O)[C@@H]2C[C@H]2c2ccccc2C)CC1 ZINC000951712140 613506602 /nfs/dbraw/zinc/50/66/02/613506602.db2.gz PYLBJJGHEZSMOG-ZWKOTPCHSA-N 0 1 298.430 2.819 20 30 CFEDMN C=CCCN1CCN(C(=O)[C@H](C)Cc2cccs2)CC1 ZINC000951104053 613507387 /nfs/dbraw/zinc/50/73/87/613507387.db2.gz PIYSYSKBYZILSG-CQSZACIVSA-N 0 1 292.448 2.647 20 30 CFEDMN C=CCCN1CCN(C(=O)[C@H]2CCC[C@H](C)C2)CC1 ZINC000949934942 613508539 /nfs/dbraw/zinc/50/85/39/613508539.db2.gz BMEYLUDIXZIXGP-GJZGRUSLSA-N 0 1 264.413 2.533 20 30 CFEDMN C=CCCN1CCN(C(=O)c2cc(C)cc(C)c2)CC1 ZINC000957454097 613509737 /nfs/dbraw/zinc/50/97/37/613509737.db2.gz NMRBFMDOKMSQBW-UHFFFAOYSA-N 0 1 272.392 2.637 20 30 CFEDMN C=CCCN1CCN(C(=O)c2ccc3ncccc3c2)CC1 ZINC000950004342 613510669 /nfs/dbraw/zinc/51/06/69/613510669.db2.gz PSOJVFDMYJOPEQ-UHFFFAOYSA-N 0 1 295.386 2.569 20 30 CFEDMN C=Cc1ccc(C(=O)N2CC[C@@H](NCC(=C)Cl)C2)cc1 ZINC000970049794 613512166 /nfs/dbraw/zinc/51/21/66/613512166.db2.gz CUFZCISWOBYJDY-OAHLLOKOSA-N 0 1 290.794 2.886 20 30 CFEDMN CC#CCN1CC([C@@H](C)NC(=O)[C@H]2CCCC(C)(C)C2)C1 ZINC000970939394 613531354 /nfs/dbraw/zinc/53/13/54/613531354.db2.gz WCFORKVUNVAMLN-CABCVRRESA-N 0 1 290.451 2.663 20 30 CFEDMN CC#CCN1CC([C@@H](C)NC(=O)[C@H]2CCC=CCCC2)C1 ZINC000969954718 613531518 /nfs/dbraw/zinc/53/15/18/613531518.db2.gz UDMXIHYQJYPUGL-CVEARBPZSA-N 0 1 288.435 2.583 20 30 CFEDMN CC#CCN1CC([C@H](C)NC(=O)c2c(C)cc(C)cc2C)C1 ZINC000970847584 613536736 /nfs/dbraw/zinc/53/67/36/613536736.db2.gz FFKQDEAKSKCBMY-INIZCTEOSA-N 0 1 298.430 2.685 20 30 CFEDMN CC#CCN1CCCC2(CN(C(=O)c3ccc(C)cc3)C2)C1 ZINC000982128478 613543239 /nfs/dbraw/zinc/54/32/39/613543239.db2.gz GHBZCKFLNSZWSQ-UHFFFAOYSA-N 0 1 296.414 2.556 20 30 CFEDMN CC#CCN1CCCCC[C@@H]1CNC(=O)c1cocc1C ZINC000968984427 613546163 /nfs/dbraw/zinc/54/61/63/613546163.db2.gz CFUUVGLZGIOVIB-OAHLLOKOSA-N 0 1 288.391 2.586 20 30 CFEDMN CC#CCN1CCCCC[C@H]1CNC(=O)c1ccoc1C ZINC000968743948 613546825 /nfs/dbraw/zinc/54/68/25/613546825.db2.gz BRIGKJJIVFOGPL-HNNXBMFYSA-N 0 1 288.391 2.586 20 30 CFEDMN CC#CCN1CC[C@@H](NC(=O)c2occc2Cl)C[C@H]1C ZINC000947686407 613589753 /nfs/dbraw/zinc/58/97/53/613589753.db2.gz XVYVPQQMYXHIFN-VXGBXAGGSA-N 0 1 294.782 2.539 20 30 CFEDMN CC#CCN1CC[C@H](C)[C@@H](NC(=O)c2cc(C)ccc2C)C1 ZINC000968588009 613591379 /nfs/dbraw/zinc/59/13/79/613591379.db2.gz JAAXFQUFSNLIIN-WMZOPIPTSA-N 0 1 298.430 2.767 20 30 CFEDMN CC#CCN1C[C@@H](NC(=O)C2CCC=CCC2)C(C)(C)C1 ZINC000977616623 613608756 /nfs/dbraw/zinc/60/87/56/613608756.db2.gz FPWFGOAXWKNWIT-MRXNPFEDSA-N 0 1 288.435 2.583 20 30 CFEDMN CC#CCN1C[C@@H](NC(=O)c2ccc(CC)cc2)C(C)(C)C1 ZINC000977566504 613611023 /nfs/dbraw/zinc/61/10/23/613611023.db2.gz XLHRWBHDHIJWBF-QGZVFWFLSA-N 0 1 298.430 2.713 20 30 CFEDMN CC#CCN1C[C@H](NC(=O)C2(C)CCCCC2)C(C)(C)C1 ZINC000975010682 613620111 /nfs/dbraw/zinc/62/01/11/613620111.db2.gz VDABWNTZVIDPCZ-HNNXBMFYSA-N 0 1 290.451 2.807 20 30 CFEDMN CC#CCN1C[C@H](NC(=O)[C@H]2CCCC2(C)C)C(C)(C)C1 ZINC000974939919 613622005 /nfs/dbraw/zinc/62/20/05/613622005.db2.gz YKHYTKDGSDGFCC-CABCVRRESA-N 0 1 290.451 2.663 20 30 CFEDMN CC#CCN1C[C@H](NC(=O)c2cc(C)ccc2C)C(C)(C)C1 ZINC000977551007 613623519 /nfs/dbraw/zinc/62/35/19/613623519.db2.gz XQTWYJHYTRYPKA-KRWDZBQOSA-N 0 1 298.430 2.767 20 30 CFEDMN C=CCN1CC([C@@H](C)NC(=O)c2cc(C)c(F)cc2F)C1 ZINC000969944546 613664288 /nfs/dbraw/zinc/66/42/88/613664288.db2.gz NCCUFVXYACOMDN-LLVKDONJSA-N 0 1 294.345 2.509 20 30 CFEDMN C=CCN1CC([C@@H](C)NC(=O)c2oc3ccccc3c2C)C1 ZINC000970845326 613668294 /nfs/dbraw/zinc/66/82/94/613668294.db2.gz HHENXFRUTJSZIM-CYBMUJFWSA-N 0 1 298.386 2.977 20 30 CFEDMN C=CCN1CC([C@H](C)NC(=O)c2c[nH]c3ccc(C)cc23)C1 ZINC000970939150 613670749 /nfs/dbraw/zinc/67/07/49/613670749.db2.gz UYDWNBIJCNETSZ-ZDUSSCGKSA-N 0 1 297.402 2.712 20 30 CFEDMN C=CCN1CC([C@H](C)NC(=O)c2cc(C)sc2C)C1 ZINC000970083924 613670785 /nfs/dbraw/zinc/67/07/85/613670785.db2.gz SPIODELPIALFOF-NSHDSACASA-N 0 1 278.421 2.601 20 30 CFEDMN C=CCN1CC([C@H](C)NC(=O)c2cc3occc3s2)C1 ZINC000970413948 613671262 /nfs/dbraw/zinc/67/12/62/613671262.db2.gz HLNYKQYCNJMYAL-JTQLQIEISA-N 0 1 290.388 2.730 20 30 CFEDMN C=CCN1CC([C@H](C)NC(=O)c2scnc2C(C)C)C1 ZINC000970544574 613674255 /nfs/dbraw/zinc/67/42/55/613674255.db2.gz OJNJZKUPULCBQN-NSHDSACASA-N 0 1 293.436 2.503 20 30 CFEDMN C=CCN1CCCN(C(=O)C(C)=C2CCCC2)CC1 ZINC000980946904 613687847 /nfs/dbraw/zinc/68/78/47/613687847.db2.gz CBGRJVXGNKQZQE-UHFFFAOYSA-N 0 1 262.397 2.597 20 30 CFEDMN C=CCN1CCCN(C(=O)CC2CCCCC2)CC1 ZINC000980671580 613688306 /nfs/dbraw/zinc/68/83/06/613688306.db2.gz WTGSWCSLGZHZCE-UHFFFAOYSA-N 0 1 264.413 2.677 20 30 CFEDMN C=CCN1CCCN(C(=O)[C@@H](C)c2cccc(C)c2)CC1 ZINC000982046789 613690867 /nfs/dbraw/zinc/69/08/67/613690867.db2.gz HIPAMSZEEXCNRT-INIZCTEOSA-N 0 1 286.419 2.819 20 30 CFEDMN C=CCN1CCCN(C(=O)Cc2coc3ccccc23)CC1 ZINC000982763583 613690885 /nfs/dbraw/zinc/69/08/85/613690885.db2.gz YXHNVOKJXOEGFE-UHFFFAOYSA-N 0 1 298.386 2.696 20 30 CFEDMN C=CCN1CCCN(C(=O)[C@@H]2CCC[C@H](C)C2)CC1 ZINC000981844594 613691511 /nfs/dbraw/zinc/69/15/11/613691511.db2.gz FDKBKKNTKVUGLE-LSDHHAIUSA-N 0 1 264.413 2.533 20 30 CFEDMN C=CCN1CCCN(C(=O)[C@@H]2C[C@H]2C2CCCC2)CC1 ZINC000983198519 613692263 /nfs/dbraw/zinc/69/22/63/613692263.db2.gz PREURKSSGFELRC-JKSUJKDBSA-N 0 1 276.424 2.533 20 30 CFEDMN C=CCN1CCCN(C(=O)[C@H]2CCCc3ccccc32)CC1 ZINC000981456404 613694286 /nfs/dbraw/zinc/69/42/86/613694286.db2.gz AYGZIIFNQFIQFF-SFHVURJKSA-N 0 1 298.430 2.827 20 30 CFEDMN C=CCN1CCCN(C(=O)c2cc3ccc(C)cc3[nH]2)CC1 ZINC000981708142 613696598 /nfs/dbraw/zinc/69/65/98/613696598.db2.gz JIAMWFOMPATXEX-UHFFFAOYSA-N 0 1 297.402 2.810 20 30 CFEDMN C=CCN1CC[C@@H](C)[C@@H](NC(=O)C2CCC(=C)CC2)C1 ZINC000968193634 613727729 /nfs/dbraw/zinc/72/77/29/613727729.db2.gz VOJJRGPOSZWJOA-ZBFHGGJFSA-N 0 1 276.424 2.745 20 30 CFEDMN C=CCN1CC[C@@H](C)[C@@H](NC(=O)Cc2ccsc2C)C1 ZINC000968390140 613728228 /nfs/dbraw/zinc/72/82/28/613728228.db2.gz GFVHZGWDVKLWKG-DOMZBBRYSA-N 0 1 292.448 2.612 20 30 CFEDMN C=CCN1CC[C@@H](C)[C@@H](NC(=O)c2cc(C)c(CC)o2)C1 ZINC000968541231 613728800 /nfs/dbraw/zinc/72/88/00/613728800.db2.gz ZLBHOVKBWLBAOY-OCCSQVGLSA-N 0 1 290.407 2.777 20 30 CFEDMN C=CCN1CC[C@@H](C)[C@@H](NC(=O)c2c(F)cccc2F)C1 ZINC000968584315 613729179 /nfs/dbraw/zinc/72/91/79/613729179.db2.gz WIYOAAFGKXOXLP-RISCZKNCSA-N 0 1 294.345 2.591 20 30 CFEDMN C=CCN1CC[C@@H](C)[C@@H](NC(=O)[C@H]2CC[C@H](C)CC2)C1 ZINC000968560196 613729222 /nfs/dbraw/zinc/72/92/22/613729222.db2.gz BLIVNHULHXCHIX-FPCVCCKLSA-N 0 1 278.440 2.825 20 30 CFEDMN C=CCN1CC[C@@H](C)[C@@H](NC(=O)c2cc(F)ccc2F)C1 ZINC000966723676 613729649 /nfs/dbraw/zinc/72/96/49/613729649.db2.gz ONCMLEKXUJFPSL-ABAIWWIYSA-N 0 1 294.345 2.591 20 30 CFEDMN C=CCN1CC[C@@H](C)[C@@H](NC(=O)c2ccc(CF)cc2)C1 ZINC000968687581 613729826 /nfs/dbraw/zinc/72/98/26/613729826.db2.gz DBUIZLARWPEDAZ-CJNGLKHVSA-N 0 1 290.382 2.782 20 30 CFEDMN C=CCN1CC[C@@H](C)[C@@H](NC(=O)c2cccc(Cl)c2)C1 ZINC000968580692 613730884 /nfs/dbraw/zinc/73/08/84/613730884.db2.gz YTLQSJIRDIWSOE-DOMZBBRYSA-N 0 1 292.810 2.966 20 30 CFEDMN C=CCN1CC[C@@H](C)[C@H](NC(=O)C2CCC(=C)CC2)C1 ZINC000968193631 613732869 /nfs/dbraw/zinc/73/28/69/613732869.db2.gz VOJJRGPOSZWJOA-GDBMZVCRSA-N 0 1 276.424 2.745 20 30 CFEDMN C=CCN1CC[C@@H](C)[C@H](NC(=O)c2c(C)coc2C)C1 ZINC000965984779 613733599 /nfs/dbraw/zinc/73/35/99/613733599.db2.gz JCWVQVSWOXGDLS-BXUZGUMPSA-N 0 1 276.380 2.523 20 30 CFEDMN C=CCN1CC[C@@H](C)[C@H](NC(=O)[C@H]2CC[C@H](C)CC2)C1 ZINC000968560197 613733704 /nfs/dbraw/zinc/73/37/04/613733704.db2.gz BLIVNHULHXCHIX-KLHDSHLOSA-N 0 1 278.440 2.825 20 30 CFEDMN C=CCN1CC[C@@H](C)[C@H](NC(=O)c2ccc3[nH]ccc3c2)C1 ZINC000968106890 613734428 /nfs/dbraw/zinc/73/44/28/613734428.db2.gz NCRFATXNACUYDH-CXAGYDPISA-N 0 1 297.402 2.794 20 30 CFEDMN C=CCN1CC[C@@H](C)[C@H](NC(=O)c2ccc(Cl)o2)C1 ZINC000965177050 613734607 /nfs/dbraw/zinc/73/46/07/613734607.db2.gz KTJMZQIAHCBBFC-GHMZBOCLSA-N 0 1 282.771 2.559 20 30 CFEDMN C=CCN1CC[C@@H](C)[C@H](NC(=O)c2ccoc2C2CC2)C1 ZINC000968033075 613735546 /nfs/dbraw/zinc/73/55/46/613735546.db2.gz BJYWHPZUYFMUSV-IUODEOHRSA-N 0 1 288.391 2.783 20 30 CFEDMN C=CCN1CC[C@H](C)[C@@H](NC(=O)C2(C)CCCC2)C1 ZINC000967528820 613766974 /nfs/dbraw/zinc/76/69/74/613766974.db2.gz UVAFDCOJRNOEGP-KBPBESRZSA-N 0 1 264.413 2.579 20 30 CFEDMN C=CCN1CC[C@H](C)[C@@H](NC(=O)C2CCC(=C)CC2)C1 ZINC000968193633 613767251 /nfs/dbraw/zinc/76/72/51/613767251.db2.gz VOJJRGPOSZWJOA-HOCLYGCPSA-N 0 1 276.424 2.745 20 30 CFEDMN C=CCN1CC[C@H](C)[C@@H](NC(=O)c2cc(C)c(CC)o2)C1 ZINC000968541230 613768755 /nfs/dbraw/zinc/76/87/55/613768755.db2.gz ZLBHOVKBWLBAOY-JSGCOSHPSA-N 0 1 290.407 2.777 20 30 CFEDMN C=CCN1CC[C@H](C)[C@H](NC(=O)C2(C3CCC3)CCC2)C1 ZINC000967497790 613771552 /nfs/dbraw/zinc/77/15/52/613771552.db2.gz OBESCBJZVFPKGX-GOEBONIOSA-N 0 1 290.451 2.969 20 30 CFEDMN C=CCN1CC[C@H](C)[C@H](NC(=O)c2cc(C)ccc2F)C1 ZINC000968358185 613773311 /nfs/dbraw/zinc/77/33/11/613773311.db2.gz YYJPVMIPTKPROQ-XJKSGUPXSA-N 0 1 290.382 2.760 20 30 CFEDMN C=CCN1CC[C@H](C)[C@H](NC(=O)c2cccc(C)c2F)C1 ZINC000966269768 613774042 /nfs/dbraw/zinc/77/40/42/613774042.db2.gz WIAGEAUUQOSLFO-SWLSCSKDSA-N 0 1 290.382 2.760 20 30 CFEDMN C=CCN1CC[C@H](C)[C@H](NC(=O)c2ccsc2C)C1 ZINC000966004198 613774846 /nfs/dbraw/zinc/77/48/46/613774846.db2.gz NZCOWRAGFUDCHE-SMDDNHRTSA-N 0 1 278.421 2.683 20 30 CFEDMN C=CCN1CC[C@H](C)[C@H](NC(=O)c2sc(C)cc2C)C1 ZINC000966418430 613775787 /nfs/dbraw/zinc/77/57/87/613775787.db2.gz FGXRNWZLPSPESE-SMDDNHRTSA-N 0 1 292.448 2.991 20 30 CFEDMN C=CCN1C[C@@H](NC(=O)Cc2ccc(C)s2)C(C)(C)C1 ZINC000977651816 613807227 /nfs/dbraw/zinc/80/72/27/613807227.db2.gz GSIHGHSHLFDZCF-CQSZACIVSA-N 0 1 292.448 2.612 20 30 CFEDMN C=CCN1C[C@@H](NC(=O)c2c(F)cccc2F)C(C)(C)C1 ZINC000977511290 613809235 /nfs/dbraw/zinc/80/92/35/613809235.db2.gz GQHPTUIUOJGIDO-CYBMUJFWSA-N 0 1 294.345 2.591 20 30 CFEDMN C=CCN1C[C@@H](NC(=O)c2ccc(C)c(C)c2)C(C)(C)C1 ZINC000977560457 613810212 /nfs/dbraw/zinc/81/02/12/613810212.db2.gz MQJYACIFIRZNIW-MRXNPFEDSA-N 0 1 286.419 2.930 20 30 CFEDMN C=CCN1C[C@@H](NC(=O)c2ccoc2C2CC2)C(C)(C)C1 ZINC000974953608 613810668 /nfs/dbraw/zinc/81/06/68/613810668.db2.gz HSYVXZGKNYVMFR-CQSZACIVSA-N 0 1 288.391 2.783 20 30 CFEDMN C=CCN1C[C@@H](NC(=O)c2ccn3ccccc23)C(C)(C)C1 ZINC000974815834 613810738 /nfs/dbraw/zinc/81/07/38/613810738.db2.gz YURNIQLGKDZMHJ-MRXNPFEDSA-N 0 1 297.402 2.566 20 30 CFEDMN C=CCN1C[C@H](NC(=O)C2(C)CCCC2)C(C)(C)C1 ZINC000974871153 613826611 /nfs/dbraw/zinc/82/66/11/613826611.db2.gz NEONSMUBAOLJTK-ZDUSSCGKSA-N 0 1 264.413 2.579 20 30 CFEDMN C=CCN1C[C@H](NC(=O)[C@@H]2C[C@H]2C(C)(C)C)C(C)(C)C1 ZINC000974819782 613827182 /nfs/dbraw/zinc/82/71/82/613827182.db2.gz OFXMZHUIFDTMJZ-MCIONIFRSA-N 0 1 278.440 2.681 20 30 CFEDMN C=CCN1C[C@H](NC(=O)c2cc(C)ccc2C)C(C)(C)C1 ZINC000977538821 613828412 /nfs/dbraw/zinc/82/84/12/613828412.db2.gz GNBHOSXIKQZOCH-INIZCTEOSA-N 0 1 286.419 2.930 20 30 CFEDMN C=CCN1C[C@H](NC(=O)c2ccc(C)c(C)c2)C(C)(C)C1 ZINC000977560449 613828727 /nfs/dbraw/zinc/82/87/27/613828727.db2.gz MQJYACIFIRZNIW-INIZCTEOSA-N 0 1 286.419 2.930 20 30 CFEDMN C=CCN1C[C@H](NC(=O)c2cc[nH]c2C2CC2)C(C)(C)C1 ZINC000974987235 613828748 /nfs/dbraw/zinc/82/87/48/613828748.db2.gz TUVHWJQZLUILHA-AWEZNQCLSA-N 0 1 287.407 2.518 20 30 CFEDMN CC(C)C(=O)N[C@H]1CN(Cc2cccc(C#N)c2)CC[C@@H]1C ZINC000965248157 613959772 /nfs/dbraw/zinc/95/97/72/613959772.db2.gz RWEYVDUPEFCJDU-YOEHRIQHSA-N 0 1 299.418 2.541 20 30 CFEDMN COC/C(C)=C\CN(C)Cc1cc(C#N)cs1 ZINC000933769941 617773984 /nfs/dbraw/zinc/77/39/84/617773984.db2.gz HWGZVTYSYNJALB-WCIBSUBMSA-N 0 1 250.367 2.644 20 30 CFEDMN C#CCCOC(=O)NCc1cc(Cl)cc(Cl)c1O ZINC000859160910 617684268 /nfs/dbraw/zinc/68/42/68/617684268.db2.gz KMHXSUQPYCIZPG-UHFFFAOYSA-N 0 1 288.130 2.949 20 30 CFEDMN CNC(=O)c1ccc(/C=C\C(=O)c2ccc(O)c(F)c2)cc1 ZINC000255388210 617717408 /nfs/dbraw/zinc/71/74/08/617717408.db2.gz BQUBDHDUPBTOIW-YWEYNIOJSA-N 0 1 299.301 2.787 20 30 CFEDMN CC(C)(C)NC(=O)CN1CCC(c2ccc(C#N)cc2)CC1 ZINC000933614578 617727054 /nfs/dbraw/zinc/72/70/54/617727054.db2.gz SMDDLOBAQLRYLJ-UHFFFAOYSA-N 0 1 299.418 2.652 20 30 CFEDMN N#Cc1cc(CN2CCC[C@@H](c3ncc[nH]3)C2)cs1 ZINC000891724306 617730695 /nfs/dbraw/zinc/73/06/95/617730695.db2.gz CRRMLHGIIPWDSF-GFCCVEGCSA-N 0 1 272.377 2.722 20 30 CFEDMN C#CCCCCNCc1ncc(Br)s1 ZINC000308660077 617734897 /nfs/dbraw/zinc/73/48/97/617734897.db2.gz POQDVMFQCDNOFP-UHFFFAOYSA-N 0 1 273.199 2.799 20 30 CFEDMN CN(Cc1cc(C#N)cs1)Cc1ccc(CO)cc1 ZINC000933773257 617775843 /nfs/dbraw/zinc/77/58/43/617775843.db2.gz IFQHEQRCYBAMLP-UHFFFAOYSA-N 0 1 272.373 2.744 20 30 CFEDMN CCC(=O)NC1C[C@H]2CC[C@@H](C1)N2Cc1ccccc1C#N ZINC001021160173 617950832 /nfs/dbraw/zinc/95/08/32/617950832.db2.gz OAWHYURAHBMFSD-ALOPSCKCSA-N 0 1 297.402 2.580 20 30 CFEDMN C#C[C@H](NC(=O)c1n[nH]c2ccc(Cl)cc21)C(C)(C)C ZINC000807882200 617974295 /nfs/dbraw/zinc/97/42/95/617974295.db2.gz XHMYCGNSANLXQS-LBPRGKRZSA-N 0 1 289.766 2.994 20 30 CFEDMN Cc1nn(C)cc1/C=C\C(=O)c1ccc(C)cc1O ZINC000255162152 618023710 /nfs/dbraw/zinc/02/37/10/618023710.db2.gz PBSFULYURNMNEY-ALCCZGGFSA-N 0 1 256.305 2.639 20 30 CFEDMN C#C[C@H]([NH2+]Cc1cc(Br)ccc1[O-])C(C)C ZINC000300900783 618026147 /nfs/dbraw/zinc/02/61/47/618026147.db2.gz KXKXFZHQFPENMP-LBPRGKRZSA-N 0 1 282.181 2.902 20 30 CFEDMN CC#CC[N@H+]1CC[C@@H]2[C@@H](CCCN2C(=O)c2ccccc2)C1 ZINC001021506872 618034116 /nfs/dbraw/zinc/03/41/16/618034116.db2.gz UHEXEFCYVMUEHA-ZWKOTPCHSA-N 0 1 296.414 2.636 20 30 CFEDMN C=CC[C@@H]1CCN1[C@@H]1CCN(c2ccc(F)cc2)C1=O ZINC000934459824 618039940 /nfs/dbraw/zinc/03/99/40/618039940.db2.gz MCFLUBOHBDLQFW-UKRRQHHQSA-N 0 1 274.339 2.581 20 30 CFEDMN C=CC[C@H]1CCN1CC(=O)NCc1ccc(Cl)cc1 ZINC000934464637 618042267 /nfs/dbraw/zinc/04/22/67/618042267.db2.gz GUSJPBJQSZITDB-AWEZNQCLSA-N 0 1 278.783 2.607 20 30 CFEDMN C=C[C@@H](C)ONC(=O)[C@@H](CC)c1ccc(F)cc1 ZINC000846547299 618112351 /nfs/dbraw/zinc/11/23/51/618112351.db2.gz DERLWEVOIDWTOC-MFKMUULPSA-N 0 1 251.301 2.942 20 30 CFEDMN C#Cc1ccc(NC(=O)[C@@H]2CCN2C2CCCC2)cc1 ZINC000891313621 618121414 /nfs/dbraw/zinc/12/14/14/618121414.db2.gz SVVMSNNWCOHYLQ-INIZCTEOSA-N 0 1 268.360 2.623 20 30 CFEDMN C[C@]12CSC[C@H]1CN(Cc1cc(F)ccc1C#N)C2 ZINC000934775178 618127797 /nfs/dbraw/zinc/12/77/97/618127797.db2.gz XOPURIVLWJXQGC-HIFRSBDPSA-N 0 1 276.380 2.882 20 30 CFEDMN C[C@@H]1C[C@@H](NN=C2CCCN3CCCC[C@@H]23)C[C@H](C)O1 ZINC000901302733 620780154 /nfs/dbraw/zinc/78/01/54/620780154.db2.gz LCNKHHRJHHDWOI-FQLMCAECSA-N 0 1 279.428 2.536 20 30 CFEDMN COc1cc(C)c(CN=Nc2ccccn2)c(C)n1 ZINC000781579203 618162886 /nfs/dbraw/zinc/16/28/86/618162886.db2.gz RBGLQINXOFFXAT-UHFFFAOYSA-N 0 1 256.309 2.548 20 30 CFEDMN COc1cc(C)c(C=NNc2cc(C)nc(C)n2)c(C)n1 ZINC000781590415 618167111 /nfs/dbraw/zinc/16/71/11/618167111.db2.gz ZWBVXDHTEJLRJJ-UHFFFAOYSA-N 0 1 285.351 2.560 20 30 CFEDMN C#CCNCC(=O)N(C)[C@H](C)c1ccc(Cl)cc1Cl ZINC000092492777 618180984 /nfs/dbraw/zinc/18/09/84/618180984.db2.gz POSQERYOZMOOBT-SNVBAGLBSA-N 0 1 299.201 2.736 20 30 CFEDMN C[C@H](C1CC1)N1CCO[C@H](c2cccc(C#N)c2)C1 ZINC000782189937 618201436 /nfs/dbraw/zinc/20/14/36/618201436.db2.gz KGAQMSXCKNAACP-WBMJQRKESA-N 0 1 256.349 2.730 20 30 CFEDMN COc1cccc(C(=O)Nc2cc(C#N)ccc2O)c1 ZINC000176822257 618206186 /nfs/dbraw/zinc/20/61/86/618206186.db2.gz FEEXZWQLBIQXLY-UHFFFAOYSA-N 0 1 268.272 2.525 20 30 CFEDMN O=C(/C=C/c1cccc2c1OCCO2)c1ccc(O)cc1O ZINC000176954678 618247074 /nfs/dbraw/zinc/24/70/74/618247074.db2.gz QXDLPZQCQAVAOA-QPJJXVBHSA-N 0 1 298.294 2.765 20 30 CFEDMN C[C@H]1C(N=Nc2c(F)cc(F)cc2F)CCN1C ZINC000901320732 620791369 /nfs/dbraw/zinc/79/13/69/620791369.db2.gz HMTWVMHHPSDAFF-ZETCQYMHSA-N 0 1 257.259 2.596 20 30 CFEDMN C[C@@H]1CCN(Cc2csc(C#N)c2)CCS1 ZINC000894026897 618279990 /nfs/dbraw/zinc/27/99/90/618279990.db2.gz BERSDCVYZHAITC-SNVBAGLBSA-N 0 1 252.408 2.947 20 30 CFEDMN C=C1CCC(C(=O)N[C@@H](c2nnc[nH]2)c2ccccc2)CC1 ZINC000901349002 620792100 /nfs/dbraw/zinc/79/21/00/620792100.db2.gz QRECTYXQIOAXEC-OAHLLOKOSA-N 0 1 296.374 2.757 20 30 CFEDMN C#CCCN1CCCC[C@@H]1CNC(=O)c1ccc(C)s1 ZINC001024306940 618289843 /nfs/dbraw/zinc/28/98/43/618289843.db2.gz IOIDPRFLMXKTNJ-CQSZACIVSA-N 0 1 290.432 2.664 20 30 CFEDMN CC[C@@H](CC#N)OC(=O)c1cc(-c2ccc(C)o2)n[nH]1 ZINC000188045396 618291640 /nfs/dbraw/zinc/29/16/40/618291640.db2.gz QFMYNPAUYKMJPS-JTQLQIEISA-N 0 1 273.292 2.827 20 30 CFEDMN C=CCN1CCCC[C@H]1CNC(=O)c1cc(C)oc1C ZINC001024324356 618293667 /nfs/dbraw/zinc/29/36/67/618293667.db2.gz UNOKXLWQADIJQP-AWEZNQCLSA-N 0 1 276.380 2.667 20 30 CFEDMN C=CCN1CCCC[C@@H]1CNC(=O)c1ccsc1C ZINC001024434334 618315111 /nfs/dbraw/zinc/31/51/11/618315111.db2.gz YGIDVNVJMOHMSP-CYBMUJFWSA-N 0 1 278.421 2.827 20 30 CFEDMN Cc1cc(C(C#N)C(=O)[C@H]2CCOC3(CCC3)C2)nc(C)n1 ZINC000892477356 618338955 /nfs/dbraw/zinc/33/89/55/618338955.db2.gz VOWGPINQRGXNBE-UONOGXRCSA-N 0 1 299.374 2.619 20 30 CFEDMN C#CC[N@@H+]1CCCC[C@@H]1CNC(=O)[C@@H]1CCC=CCCC1 ZINC001024507735 618340044 /nfs/dbraw/zinc/34/00/44/618340044.db2.gz XUTMZINLKNFGEX-IAGOWNOFSA-N 0 1 288.435 2.727 20 30 CFEDMN C#CCN1CCCC[C@@H]1CNC(=O)[C@@H]1CCC=CCCC1 ZINC001024507735 618340051 /nfs/dbraw/zinc/34/00/51/618340051.db2.gz XUTMZINLKNFGEX-IAGOWNOFSA-N 0 1 288.435 2.727 20 30 CFEDMN Cc1ccc(F)cc1C(=O)Nc1cc(C#N)ccc1O ZINC000179728207 618343190 /nfs/dbraw/zinc/34/31/90/618343190.db2.gz LBKHNRVDPYQTQE-UHFFFAOYSA-N 0 1 270.263 2.964 20 30 CFEDMN C=CCN1CCCC[C@@H]1CNC(=O)c1c(C)oc(C)c1C ZINC001024541273 618354873 /nfs/dbraw/zinc/35/48/73/618354873.db2.gz GWAWZYNYEHDACO-OAHLLOKOSA-N 0 1 290.407 2.975 20 30 CFEDMN CC(C)NC(=O)C(C#N)C(=O)CC[C@H]1CCc2ccccc21 ZINC000892502140 618401007 /nfs/dbraw/zinc/40/10/07/618401007.db2.gz WFONIYWEGKIXGX-GDBMZVCRSA-N 0 1 298.386 2.730 20 30 CFEDMN Cc1cc(C)c(/C=C/CN[C@@H]2CCCN(O)C2=O)cc1C ZINC000895156949 618403530 /nfs/dbraw/zinc/40/35/30/618403530.db2.gz JFHQKBCQIIUOSI-MQDFFIGUSA-N 0 1 288.391 2.595 20 30 CFEDMN CC#CC[N@H+]1CCCC[C@H]1CNC(=O)C1CC2(CCC2)C1 ZINC001024597101 618406530 /nfs/dbraw/zinc/40/65/30/618406530.db2.gz NRTCYILQKBCCHW-INIZCTEOSA-N 0 1 288.435 2.561 20 30 CFEDMN CC#CCN1CCCC[C@H]1CNC(=O)C1CC2(CCC2)C1 ZINC001024597101 618406535 /nfs/dbraw/zinc/40/65/35/618406535.db2.gz NRTCYILQKBCCHW-INIZCTEOSA-N 0 1 288.435 2.561 20 30 CFEDMN C=CCc1cc(C[N@H+]2CCO[C@@H](CC)C2)c(O)c(OC)c1 ZINC000178849160 618422379 /nfs/dbraw/zinc/42/23/79/618422379.db2.gz BHPSXQTUHUOZTA-HNNXBMFYSA-N 0 1 291.391 2.740 20 30 CFEDMN C=CCc1cc(CN2CCO[C@@H](CC)C2)c(O)c(OC)c1 ZINC000178849160 618422383 /nfs/dbraw/zinc/42/23/83/618422383.db2.gz BHPSXQTUHUOZTA-HNNXBMFYSA-N 0 1 291.391 2.740 20 30 CFEDMN C=CCN1CCCC[C@H]1CNC(=O)c1cc[nH]c1C1CC1 ZINC001024625737 618425619 /nfs/dbraw/zinc/42/56/19/618425619.db2.gz UAMASMCRRRUXJH-AWEZNQCLSA-N 0 1 287.407 2.662 20 30 CFEDMN C=CCN1CCCC[C@H]1CNC(=O)c1ccc2[nH]ccc2c1 ZINC001024630235 618425626 /nfs/dbraw/zinc/42/56/26/618425626.db2.gz LMCKKUSYNJOCMJ-INIZCTEOSA-N 0 1 297.402 2.938 20 30 CFEDMN CC#CCN1CCCC[C@@H]1CNC(=O)[C@@]12C[C@@H]1CCCC2 ZINC001024635225 618427959 /nfs/dbraw/zinc/42/79/59/618427959.db2.gz CGJNFCAXMJDMRZ-JZXOWHBKSA-N 0 1 288.435 2.561 20 30 CFEDMN CC#CCN1CCCC[C@H]1CNC(=O)[C@H]1CCC(C)(C)C1 ZINC001024641901 618431193 /nfs/dbraw/zinc/43/11/93/618431193.db2.gz OGQDFDWUNGXWQS-HOTGVXAUSA-N 0 1 290.451 2.807 20 30 CFEDMN C#C[C@@H](C)[N@@H+](C)Cc1cc(=O)oc2cc([O-])c(Cl)cc12 ZINC000794578921 618437093 /nfs/dbraw/zinc/43/70/93/618437093.db2.gz MRIGWMJYJBWITG-SECBINFHSA-N 0 1 291.734 2.606 20 30 CFEDMN C=CCN1CCCC[C@@H]1CNC(=O)[C@@H]1C[C@H]1c1ccco1 ZINC001024670401 618438131 /nfs/dbraw/zinc/43/81/31/618438131.db2.gz PIXQJZBBJRBGEP-RBSFLKMASA-N 0 1 288.391 2.540 20 30 CFEDMN C=CCCN(C)C(=O)c1ccc(CN2CCCCC2)o1 ZINC000935573771 618444496 /nfs/dbraw/zinc/44/44/96/618444496.db2.gz RKJADPSEEVDNNJ-UHFFFAOYSA-N 0 1 276.380 2.914 20 30 CFEDMN C#C[C@@H]1CCC[N@H+](Cc2cc(F)cc(F)c2[O-])C1 ZINC000895184999 618448125 /nfs/dbraw/zinc/44/81/25/618448125.db2.gz YXSQWTRRSAZODM-SNVBAGLBSA-N 0 1 251.276 2.516 20 30 CFEDMN CC#CCN1CCCC[C@H]1CNC(=O)c1csc(C)c1 ZINC001024705887 618448650 /nfs/dbraw/zinc/44/86/50/618448650.db2.gz ONUJHIRVHHGBOW-HNNXBMFYSA-N 0 1 290.432 2.664 20 30 CFEDMN Cc1csc(C(C#N)C(=O)C=Cc2cccnc2)n1 ZINC000255878011 618461846 /nfs/dbraw/zinc/46/18/46/618461846.db2.gz BXLRZPHTIZORQM-QMAVJUDZSA-N 0 1 269.329 2.736 20 30 CFEDMN C#CCN1CCCC[C@@H]1CNC(=O)c1ccc(Cl)cc1 ZINC001024772635 618467597 /nfs/dbraw/zinc/46/75/97/618467597.db2.gz XOGQIRKASOSYER-OAHLLOKOSA-N 0 1 290.794 2.558 20 30 CFEDMN C=CCN1CCCC[C@@H]1CNC(=O)c1cc(F)cc(F)c1 ZINC001024793564 618470653 /nfs/dbraw/zinc/47/06/53/618470653.db2.gz ZRXGRFFXBQDZTR-OAHLLOKOSA-N 0 1 294.345 2.735 20 30 CFEDMN Brc1ccc(NN=Cc2ccco2)nc1 ZINC000727266394 618473718 /nfs/dbraw/zinc/47/37/18/618473718.db2.gz RZMAVDHUGISGNY-UHFFFAOYSA-N 0 1 266.098 2.883 20 30 CFEDMN COc1ccc(CN=Nc2ccc(C)cn2)cc1F ZINC000727260405 618475858 /nfs/dbraw/zinc/47/58/58/618475858.db2.gz UZQVXNFBKWEWBQ-UHFFFAOYSA-N 0 1 259.284 2.984 20 30 CFEDMN COc1cc(CN=Nc2ccc(C)cn2)cc2c1OCO2 ZINC000727263026 618478080 /nfs/dbraw/zinc/47/80/80/618478080.db2.gz JMVIBZRNDZRSHP-UHFFFAOYSA-N 0 1 285.303 2.573 20 30 CFEDMN COc1ccc(CN=Nc2ccc(C)cn2)cc1O ZINC000727263271 618478248 /nfs/dbraw/zinc/47/82/48/618478248.db2.gz UXNJZQOJPUPJHN-UHFFFAOYSA-N 0 1 257.293 2.550 20 30 CFEDMN FC(F)(F)Oc1cccc(CN=Nc2cncnc2)c1 ZINC000794976606 618500930 /nfs/dbraw/zinc/50/09/30/618500930.db2.gz NXVPIZGBCRSBJC-UHFFFAOYSA-N 0 1 282.225 2.821 20 30 CFEDMN C=CCC[NH2+]Cc1cc(Br)ccc1[O-] ZINC000236615620 618717483 /nfs/dbraw/zinc/71/74/83/618717483.db2.gz HMACDNRDIYCFBL-UHFFFAOYSA-N 0 1 256.143 2.820 20 30 CFEDMN N#CCCCOC(=O)c1cccc2nc(C(F)F)[nH]c21 ZINC000924085519 618738797 /nfs/dbraw/zinc/73/87/97/618738797.db2.gz ILDCYNIPEWYFHJ-UHFFFAOYSA-N 0 1 279.246 2.961 20 30 CFEDMN C=C(Cl)CN1CC[C@H](C(=O)OC)[C@H]2CCCC[C@H]21 ZINC000852497580 618776237 /nfs/dbraw/zinc/77/62/37/618776237.db2.gz WZCPIDSHAPTUJQ-FRRDWIJNSA-N 0 1 271.788 2.793 20 30 CFEDMN C[C@H]1CCc2n[nH]c(C(=O)OC3(CC#N)CCC3)c2C1 ZINC000892982363 618790383 /nfs/dbraw/zinc/79/03/83/618790383.db2.gz ARXUKEXXAIECQY-JTQLQIEISA-N 0 1 273.336 2.528 20 30 CFEDMN C=C(Cl)CN1CCC[C@H](CCC(=O)OCC)C1 ZINC000162297412 618837215 /nfs/dbraw/zinc/83/72/15/618837215.db2.gz CQGIKBCDKRLZGH-GFCCVEGCSA-N 0 1 259.777 2.794 20 30 CFEDMN Cc1ccc(CON=C(N)c2ccc(N(C)C)cc2)c(C)n1 ZINC000185343928 618924937 /nfs/dbraw/zinc/92/49/37/618924937.db2.gz CKWKUEYBWPXFQM-UHFFFAOYSA-N 0 1 298.390 2.602 20 30 CFEDMN C=CCN1CCC[C@H](NC(=O)[C@H](C)C2CCCC2)C1 ZINC001009156258 618982030 /nfs/dbraw/zinc/98/20/30/618982030.db2.gz VXXDKECZWAZHLP-HIFRSBDPSA-N 0 1 264.413 2.579 20 30 CFEDMN N#Cc1csc(CNCc2ccc(C#N)cc2)c1 ZINC000093492383 619030966 /nfs/dbraw/zinc/03/09/66/619030966.db2.gz HITDVMWLFCFXPC-UHFFFAOYSA-N 0 1 253.330 2.781 20 30 CFEDMN N#Cc1cc(CN2CCC([C@@H]3CCOC3)CC2)cs1 ZINC000893521937 619034156 /nfs/dbraw/zinc/03/41/56/619034156.db2.gz UVUYSFZWNIFLOB-CQSZACIVSA-N 0 1 276.405 2.868 20 30 CFEDMN CCC#CCOC(=O)c1[nH]c(-c2ccccc2)nc1C ZINC000893838914 619227278 /nfs/dbraw/zinc/22/72/78/619227278.db2.gz UIVXHQXJXAZVBS-UHFFFAOYSA-N 0 1 268.316 2.955 20 30 CFEDMN CCC(C)(C)C(=O)OCC(=O)[C@@H](C#N)c1nc(C)cs1 ZINC000726832202 619264830 /nfs/dbraw/zinc/26/48/30/619264830.db2.gz SRPXDLPTUIKCJS-SNVBAGLBSA-N 0 1 294.376 2.607 20 30 CFEDMN CCC(C)(C)C(=O)OCC(=O)C(C#N)c1nc(C)cs1 ZINC000726832202 619264832 /nfs/dbraw/zinc/26/48/32/619264832.db2.gz SRPXDLPTUIKCJS-SNVBAGLBSA-N 0 1 294.376 2.607 20 30 CFEDMN C#C[C@@H](NCc1cccc(C(F)F)c1)[C@H]1CCCO1 ZINC000791493911 619329259 /nfs/dbraw/zinc/32/92/59/619329259.db2.gz OLIPMZGBWZHFCQ-ZIAGYGMSSA-N 0 1 265.303 2.895 20 30 CFEDMN C#C[C@@H](CC)NCc1cnc(CC(F)(F)F)s1 ZINC000894387528 619363005 /nfs/dbraw/zinc/36/30/05/619363005.db2.gz OUMAROJGRZLBLF-QMMMGPOBSA-N 0 1 262.300 2.749 20 30 CFEDMN C=CCN(Cc1cc(C(=O)OC)c(CC)[nH]1)C1CC1 ZINC000894455556 619390876 /nfs/dbraw/zinc/39/08/76/619390876.db2.gz ASTQSBMHLVKWGF-UHFFFAOYSA-N 0 1 262.353 2.514 20 30 CFEDMN C#Cc1ccc(CNCc2ccc(OCC)o2)cc1 ZINC000894666313 619438701 /nfs/dbraw/zinc/43/87/01/619438701.db2.gz COTPOZZMJYDHKI-UHFFFAOYSA-N 0 1 255.317 2.949 20 30 CFEDMN CO[C@@H]1CCN(Cc2csc(C#N)c2)CC1(C)C ZINC000894723457 619453872 /nfs/dbraw/zinc/45/38/72/619453872.db2.gz PCQMLIPVLAEHST-CYBMUJFWSA-N 0 1 264.394 2.867 20 30 CFEDMN CCn1cc(CNCc2ccc(C#N)c(F)c2)c(C)n1 ZINC000894775040 619461297 /nfs/dbraw/zinc/46/12/97/619461297.db2.gz COPIDAWGZKSPSQ-UHFFFAOYSA-N 0 1 272.327 2.512 20 30 CFEDMN C#CC[C@H](NCc1cc(C)nn1C)c1ccccc1 ZINC000841865745 619481192 /nfs/dbraw/zinc/48/11/92/619481192.db2.gz FDEIGWVNHAFKQJ-INIZCTEOSA-N 0 1 253.349 2.583 20 30 CFEDMN C#CC[C@@H](NCc1cc(C)nn1C)c1ccccc1 ZINC000841865749 619481339 /nfs/dbraw/zinc/48/13/39/619481339.db2.gz FDEIGWVNHAFKQJ-MRXNPFEDSA-N 0 1 253.349 2.583 20 30 CFEDMN CCc1cccc(NC(=O)CN[C@@H]2CCC[C@@H](C#N)C2)c1 ZINC000895039616 619531283 /nfs/dbraw/zinc/53/12/83/619531283.db2.gz NJOHCDKMIPSPOG-HUUCEWRRSA-N 0 1 285.391 2.859 20 30 CFEDMN CC[C@H](C)CON=Cc1cc(-c2cccnc2)[nH]n1 ZINC000793159341 619532913 /nfs/dbraw/zinc/53/29/13/619532913.db2.gz NQVBRMFOEOSUSO-NSHDSACASA-N 0 1 258.325 2.868 20 30 CFEDMN C#CC[C@H](CO)N[C@H](C)c1ccc(-c2ccccc2)cn1 ZINC000895490799 619540871 /nfs/dbraw/zinc/54/08/71/619540871.db2.gz SPMFCPLULWCGAV-RHSMWYFYSA-N 0 1 280.371 2.783 20 30 CFEDMN C#Cc1ccc(CN2CC[C@](OC)(C(F)(F)F)C2)cc1 ZINC000895577737 619559288 /nfs/dbraw/zinc/55/92/88/619559288.db2.gz SFYDXLIFQGJYDP-CQSZACIVSA-N 0 1 283.293 2.821 20 30 CFEDMN C=C[C@@H](CC)CC(=O)OCc1nc(C(C)C)n[nH]1 ZINC000909525936 619571752 /nfs/dbraw/zinc/57/17/52/619571752.db2.gz SOVSEOFEWKNRMR-JTQLQIEISA-N 0 1 251.330 2.574 20 30 CFEDMN C=C[C@@H](CC)CC(=O)OCc1n[nH]c(C(C)C)n1 ZINC000909525936 619571753 /nfs/dbraw/zinc/57/17/53/619571753.db2.gz SOVSEOFEWKNRMR-JTQLQIEISA-N 0 1 251.330 2.574 20 30 CFEDMN C#CCC1(O)CCN(Cc2ccc(OCC)c(F)c2)CC1 ZINC000895669374 619582044 /nfs/dbraw/zinc/58/20/44/619582044.db2.gz ATGBBMJNGYZINW-UHFFFAOYSA-N 0 1 291.366 2.575 20 30 CFEDMN C#CCC1(O)CCN(Cc2cc(Cl)cs2)CC1 ZINC000895669402 619582286 /nfs/dbraw/zinc/58/22/86/619582286.db2.gz BVVBUBOKKZSKBN-UHFFFAOYSA-N 0 1 269.797 2.752 20 30 CFEDMN C#CCC1(O)CCN(Cc2ccc(Cl)c(C)c2)CC1 ZINC000895669573 619582465 /nfs/dbraw/zinc/58/24/65/619582465.db2.gz FRWCCKJQUXNHDX-UHFFFAOYSA-N 0 1 277.795 2.999 20 30 CFEDMN C#CCN1CCC(Nc2cc(C(F)(F)F)ccn2)CC1 ZINC000895809490 619609833 /nfs/dbraw/zinc/60/98/33/619609833.db2.gz XJMASIDYVXSHSB-UHFFFAOYSA-N 0 1 283.297 2.610 20 30 CFEDMN C#CCN1CCC(Nc2ccnc(C(F)(F)F)c2)CC1 ZINC000895808399 619612716 /nfs/dbraw/zinc/61/27/16/619612716.db2.gz LXEWVFMUVUAIFV-UHFFFAOYSA-N 0 1 283.297 2.610 20 30 CFEDMN C[C@@H](NC(=O)[C@@H]1CCN1C(C)(C)C)c1cccc(C#N)c1 ZINC000896764183 619809253 /nfs/dbraw/zinc/80/92/53/619809253.db2.gz GAUZSCZWDAFOGE-DOMZBBRYSA-N 0 1 285.391 2.608 20 30 CFEDMN COc1ccc(CNCc2ccccc2OC)cc1C#N ZINC000087822272 619835740 /nfs/dbraw/zinc/83/57/40/619835740.db2.gz QIGZAOGPDNPCQC-UHFFFAOYSA-N 0 1 282.343 2.865 20 30 CFEDMN COC(=O)c1[nH]c(CNCc2ccc(C)c(C#N)c2)cc1C ZINC000896880747 619855687 /nfs/dbraw/zinc/85/56/87/619855687.db2.gz NXODKXHQKAUTRZ-UHFFFAOYSA-N 0 1 297.358 2.580 20 30 CFEDMN COC(=O)[C@@H](F)C/N=C/c1cc(Cl)cc(Cl)c1O ZINC000840710884 619919276 /nfs/dbraw/zinc/91/92/76/619919276.db2.gz MSJOUIQSJSFDRG-ZMLVYFQNSA-N 0 1 294.109 2.629 20 30 CFEDMN C#CCN1CCC(NC(=O)CC[C@@H](C)c2ccccc2)CC1 ZINC000928654991 619937555 /nfs/dbraw/zinc/93/75/55/619937555.db2.gz PEIBRLFQROIZBX-MRXNPFEDSA-N 0 1 298.430 2.784 20 30 CFEDMN C#CCN(C[C@@H](C)c1ccc(S(C)(=O)=O)cc1)C(C)C ZINC000897170739 619943870 /nfs/dbraw/zinc/94/38/70/619943870.db2.gz GKHLSSLNIIAWCH-CQSZACIVSA-N 0 1 293.432 2.537 20 30 CFEDMN C=C(Cl)CN(C)C1CCN(C(=O)C(F)=C(C)C)CC1 ZINC000985377987 619965744 /nfs/dbraw/zinc/96/57/44/619965744.db2.gz WFXCTNVMMSYGGU-UHFFFAOYSA-N 0 1 288.794 2.925 20 30 CFEDMN C=C(Cl)CN(C)C1CCN(C(=O)[C@]23C[C@H]2CCC3)CC1 ZINC000985542998 619994201 /nfs/dbraw/zinc/99/42/01/619994201.db2.gz IAOKLWGEZHVMKY-CZUORRHYSA-N 0 1 296.842 2.852 20 30 CFEDMN C=C(Cl)CN(C)C1CCN(C(=O)[C@H]2C[C@@H]2C(C)C)CC1 ZINC000985723425 620026337 /nfs/dbraw/zinc/02/63/37/620026337.db2.gz DQYSEVVLPCQIFN-CABCVRRESA-N 0 1 298.858 2.954 20 30 CFEDMN C=C(Cl)CN[C@H]1CCN(C(=O)c2ccc(F)cc2)[C@@H]1C ZINC000985875560 620047241 /nfs/dbraw/zinc/04/72/41/620047241.db2.gz METNJZQAVBVPED-RISCZKNCSA-N 0 1 296.773 2.771 20 30 CFEDMN C=C(Cl)CN[C@H]1CCN(C(=O)Cc2ccsc2)[C@H]1C ZINC000985915366 620052062 /nfs/dbraw/zinc/05/20/62/620052062.db2.gz UCMKQLLVWIMQJL-AAEUAGOBSA-N 0 1 298.839 2.622 20 30 CFEDMN C=C(Cl)CN[C@H]1CCN(C(=O)c2ccc(C)o2)[C@H]1C ZINC000985954106 620054257 /nfs/dbraw/zinc/05/42/57/620054257.db2.gz BPZBHTRLOHPREK-RYUDHWBXSA-N 0 1 282.771 2.533 20 30 CFEDMN C=C(Cl)CN[C@@H]1CCN(C(=O)CC(C)(C)C)[C@@H]1C ZINC000985978900 620056174 /nfs/dbraw/zinc/05/61/74/620056174.db2.gz XOLOMVFBTCNSEF-VXGBXAGGSA-N 0 1 272.820 2.754 20 30 CFEDMN C=C(Cl)CN[C@H]1CCN(C(=O)c2coc(C)c2)[C@@H]1C ZINC000986198151 620075186 /nfs/dbraw/zinc/07/51/86/620075186.db2.gz NKDWTBUZMRLXPX-YPMHNXCESA-N 0 1 282.771 2.533 20 30 CFEDMN C=C(Cl)CN[C@@H]1CCN(C(=O)c2cc[nH]c2CC)[C@@H]1C ZINC000986225965 620076833 /nfs/dbraw/zinc/07/68/33/620076833.db2.gz VIDJKKNXPHMHQI-BXUZGUMPSA-N 0 1 295.814 2.522 20 30 CFEDMN CCCCCCCNC(=O)[C@@H](C)Cc1cnc[nH]1 ZINC000862355567 620111383 /nfs/dbraw/zinc/11/13/83/620111383.db2.gz RBPLKNNYUUTNJD-LBPRGKRZSA-N 0 1 251.374 2.675 20 30 CFEDMN C=C(Cl)CN[C@@H]1C[C@H](C)N(C(=O)c2ccc(F)cc2)C1 ZINC000987826917 620155996 /nfs/dbraw/zinc/15/59/96/620155996.db2.gz PDPHUFIWBIBJRE-SMDDNHRTSA-N 0 1 296.773 2.771 20 30 CFEDMN C=C(Cl)CN[C@@H]1C[C@H](C)N(C(=O)/C=C\c2ccco2)C1 ZINC000987846128 620156679 /nfs/dbraw/zinc/15/66/79/620156679.db2.gz VZERGZQIXPZREB-AGFGORMFSA-N 0 1 294.782 2.624 20 30 CFEDMN C=C(Cl)CN[C@H]1C[C@H](C)N(C(=O)c2ccccc2F)C1 ZINC000987855644 620156719 /nfs/dbraw/zinc/15/67/19/620156719.db2.gz KEALUSHMPFREQD-RYUDHWBXSA-N 0 1 296.773 2.771 20 30 CFEDMN C=C(Cl)CN[C@@H]1C[C@@H](C)N(C(=O)c2occc2C)C1 ZINC000988088587 620160965 /nfs/dbraw/zinc/16/09/65/620160965.db2.gz MCSLHOOKUZRPIX-VXGBXAGGSA-N 0 1 282.771 2.533 20 30 CFEDMN C=C(Cl)CN[C@@H]1C[C@@H](C)N(C(=O)c2ccoc2CC)C1 ZINC000988757879 620220608 /nfs/dbraw/zinc/22/06/08/620220608.db2.gz JPIVHHQJCOOSJB-VXGBXAGGSA-N 0 1 296.798 2.787 20 30 CFEDMN C=C(Cl)CN[C@@H]1C[C@@H](C)N(C(=O)c2cc(C)co2)C1 ZINC000989302962 620243918 /nfs/dbraw/zinc/24/39/18/620243918.db2.gz PEIAEQVTBSFYKI-VXGBXAGGSA-N 0 1 282.771 2.533 20 30 CFEDMN Cc1cccc(CN2CCC3(CC2)CC(=O)C=CO3)c1F ZINC000897599419 620255500 /nfs/dbraw/zinc/25/55/00/620255500.db2.gz KKBAGMSSMWPZJT-UHFFFAOYSA-N 0 1 289.350 2.972 20 30 CFEDMN C#CCCN1CCCN(C(=O)c2cccc(C(C)C)c2)CC1 ZINC000989410520 620259717 /nfs/dbraw/zinc/25/97/17/620259717.db2.gz KIKUIVWXQNGKIS-UHFFFAOYSA-N 0 1 298.430 2.981 20 30 CFEDMN COc1ccc(O)c(CN(C)Cc2cc(C#N)cs2)c1 ZINC000897625442 620263145 /nfs/dbraw/zinc/26/31/45/620263145.db2.gz IJGRKNJBCDPJSH-UHFFFAOYSA-N 0 1 288.372 2.966 20 30 CFEDMN C=CCN(CCO[C@@H]1CCOC1)Cc1cccs1 ZINC000929140110 620264822 /nfs/dbraw/zinc/26/48/22/620264822.db2.gz FGIJAJMUEFSLEV-CYBMUJFWSA-N 0 1 267.394 2.542 20 30 CFEDMN C=C1CCC(C(=O)NCc2ccc3nc[nH]c3c2)CC1 ZINC000897897292 620300242 /nfs/dbraw/zinc/30/02/42/620300242.db2.gz PPIRRPNMTAOKRW-UHFFFAOYSA-N 0 1 269.348 2.926 20 30 CFEDMN C=CCCN(Cc1cnc[nH]1)OCc1ccccc1 ZINC000193387855 620364720 /nfs/dbraw/zinc/36/47/20/620364720.db2.gz UUJIUUVBTTYYHV-UHFFFAOYSA-N 0 1 257.337 2.920 20 30 CFEDMN C=CCN1CCCN(C(=O)C2CCC(C3CC3)CC2)CC1 ZINC000989579427 620382765 /nfs/dbraw/zinc/38/27/65/620382765.db2.gz BBGWKZXDWAHJCX-UHFFFAOYSA-N 0 1 290.451 2.923 20 30 CFEDMN C=CCN1CCCN(C(=O)C2(c3ccccc3C)CC2)CC1 ZINC000989795473 620392774 /nfs/dbraw/zinc/39/27/74/620392774.db2.gz NMNYQGPFYQGVCT-UHFFFAOYSA-N 0 1 298.430 2.747 20 30 CFEDMN CCC(=O)N[C@]12CCC[C@@H]1[N@@H+](Cc1ccc(C#N)cc1)CC2 ZINC000989870806 620397223 /nfs/dbraw/zinc/39/72/23/620397223.db2.gz OISPFTNGPJUJMH-WMZOPIPTSA-N 0 1 297.402 2.581 20 30 CFEDMN C=CCN1CC[C@]2(NC(=O)c3ccc(C)s3)CCC[C@@H]12 ZINC000989916292 620401856 /nfs/dbraw/zinc/40/18/56/620401856.db2.gz RZEWZMZYLZVVCR-GDBMZVCRSA-N 0 1 290.432 2.969 20 30 CFEDMN CC(C)N1CCC[C@@H]1C(=O)OCCc1ccc(C#N)cc1 ZINC000923891936 620445101 /nfs/dbraw/zinc/44/51/01/620445101.db2.gz RZZYAVNYHKZWGH-MRXNPFEDSA-N 0 1 286.375 2.517 20 30 CFEDMN C#CC[C@@H]1C(=O)N(c2ncc(Cl)cc2Cl)N=C1C ZINC000899346261 620547293 /nfs/dbraw/zinc/54/72/93/620547293.db2.gz HTSHNGWJWWBEEG-VIFPVBQESA-N 0 1 282.130 2.750 20 30 CFEDMN C#CC[C@@H]1C(=O)N(c2nc(C(F)(F)F)cs2)N=C1C ZINC000899352775 620548102 /nfs/dbraw/zinc/54/81/02/620548102.db2.gz OWGSEGPAMLSXFW-ZETCQYMHSA-N 0 1 287.266 2.524 20 30 CFEDMN C#CC[C@@H]1C(=O)N(c2ccc(OC(F)F)cc2)N=C1C ZINC000899349558 620549810 /nfs/dbraw/zinc/54/98/10/620549810.db2.gz GBYIZVGNRHCYSX-LBPRGKRZSA-N 0 1 278.258 2.650 20 30 CFEDMN C#CCc1c(C)[nH]n(-c2ccc(OC(F)F)cc2)c1=O ZINC000899349558 620549811 /nfs/dbraw/zinc/54/98/11/620549811.db2.gz GBYIZVGNRHCYSX-LBPRGKRZSA-N 0 1 278.258 2.650 20 30 CFEDMN Cn1nc2c(c1/C=C\C(=O)c1ccccc1O)CCC2 ZINC000899362309 620553282 /nfs/dbraw/zinc/55/32/82/620553282.db2.gz PRHNOPAXWADGSC-KTKRTIGZSA-N 0 1 268.316 2.511 20 30 CFEDMN C=C(C)C[N@H+](C)Cc1cn(CC(=O)[O-])nc1-c1ccccc1 ZINC000902491456 621102863 /nfs/dbraw/zinc/10/28/63/621102863.db2.gz YDSFMTHRKLYDQI-UHFFFAOYSA-N 0 1 299.374 2.643 20 30 CFEDMN C=CC[C@@H]1CC[N@H+](Cc2ccc(/C=C\C(=O)[O-])o2)C1 ZINC000902491447 621102972 /nfs/dbraw/zinc/10/29/72/621102972.db2.gz XYSAODRIKKYCHJ-ZHRWSRJISA-N 0 1 261.321 2.775 20 30 CFEDMN COCc1ccccc1CN[C@H](C)c1cc(C#N)ccn1 ZINC000902733171 621160870 /nfs/dbraw/zinc/16/08/70/621160870.db2.gz OBPGNIZSXRIMHQ-CYBMUJFWSA-N 0 1 281.359 2.950 20 30 CFEDMN C=CCC[C@@H](NCc1nonc1C)[C@@]1(C)CCCCO1 ZINC000903086252 621247240 /nfs/dbraw/zinc/24/72/40/621247240.db2.gz FAZIQAWOEHMQBC-HUUCEWRRSA-N 0 1 279.384 2.762 20 30 CFEDMN C[C@H](NCC(C)(C)C#N)c1cccc(N2CCOCC2)c1 ZINC000903100822 621252837 /nfs/dbraw/zinc/25/28/37/621252837.db2.gz ZWNGEVOKPJUPIW-AWEZNQCLSA-N 0 1 287.407 2.724 20 30 CFEDMN COc1cccc2c1CCC[C@@H]2NCC1(C#N)CC1 ZINC000903106109 621255622 /nfs/dbraw/zinc/25/56/22/621255622.db2.gz MRGRTYAGVRBIPF-AWEZNQCLSA-N 0 1 256.349 2.966 20 30 CFEDMN N#Cc1cc(Cl)cc(C[N@H+](CC(=O)[O-])C2CCC2)c1 ZINC000903409727 621364680 /nfs/dbraw/zinc/36/46/80/621364680.db2.gz YSUONLQAXYROPP-UHFFFAOYSA-N 0 1 278.739 2.651 20 30 CFEDMN C[N@@H+](CCc1cccc(C#N)c1)CCC1(C(=O)[O-])CCC1 ZINC000903706027 621423029 /nfs/dbraw/zinc/42/30/29/621423029.db2.gz CVTNWSLPSBBHRZ-UHFFFAOYSA-N 0 1 286.375 2.678 20 30 CFEDMN C[C@@H]1C[N@@H+](CCCCC2(C#N)CCC2)CC[C@H]1C(=O)[O-] ZINC000903707255 621423855 /nfs/dbraw/zinc/42/38/55/621423855.db2.gz UMHUAGPHYVLEOE-ZIAGYGMSSA-N 0 1 278.396 2.893 20 30 CFEDMN N#CC1(CCCC[N@@H+]2C[C@@H](C(=O)[O-])[C@H](C3CC3)C2)CCC1 ZINC000903788110 621442377 /nfs/dbraw/zinc/44/23/77/621442377.db2.gz CCMIIUUSKDRGEA-LSDHHAIUSA-N 0 1 290.407 2.893 20 30 CFEDMN C#CC[C@@H]1CCC[N@H+]([C@H](CCc2ccccc2)C(=O)[O-])C1 ZINC000903906314 621469378 /nfs/dbraw/zinc/46/93/78/621469378.db2.gz HJMMAXSIDSFAOW-IAGOWNOFSA-N 0 1 285.387 2.808 20 30 CFEDMN C=CC(C)(C)CCCNC(=O)CN(C)[C@H]1CCSC1 ZINC000832721837 625496572 /nfs/dbraw/zinc/49/65/72/625496572.db2.gz PAGQIPMWILSECN-ZDUSSCGKSA-N 0 1 284.469 2.532 20 30 CFEDMN C[C@@H]1[C@H](C(=O)N([O-])Cc2cccc3ccccc32)CC[N@@H+]1C ZINC000904170420 621540682 /nfs/dbraw/zinc/54/06/82/621540682.db2.gz CCRGUUAFKBNCBR-CZUORRHYSA-N 0 1 298.386 2.898 20 30 CFEDMN C[C@@H]1[C@H](C(=O)N([O-])Cc2cccc3ccccc32)CC[N@H+]1C ZINC000904170420 621540685 /nfs/dbraw/zinc/54/06/85/621540685.db2.gz CCRGUUAFKBNCBR-CZUORRHYSA-N 0 1 298.386 2.898 20 30 CFEDMN Cc1nc(/C=C/C(=O)c2cccc(CN(C)C)c2)[nH]c1C ZINC000905078130 621690169 /nfs/dbraw/zinc/69/01/69/621690169.db2.gz LMALRCFDXCABIM-CMDGGOBGSA-N 0 1 283.375 2.984 20 30 CFEDMN CCN1[C@H](C)CN(C(=O)Nc2cccc(C#N)c2)C[C@@H]1C ZINC000905160503 621709471 /nfs/dbraw/zinc/70/94/71/621709471.db2.gz COADXSUVHWKPGA-BETUJISGSA-N 0 1 286.379 2.505 20 30 CFEDMN C[C@H](CC(C)(C)C#N)NCc1cn2ccsc2n1 ZINC000924802947 621743560 /nfs/dbraw/zinc/74/35/60/621743560.db2.gz YQMMYCSJEIEUFJ-SNVBAGLBSA-N 0 1 262.382 2.814 20 30 CFEDMN N#CC1(C[C@H](O)CN[C@@H]2c3ccccc3CC[C@H]2F)CC1 ZINC000905454850 621776379 /nfs/dbraw/zinc/77/63/79/621776379.db2.gz ZZFFDDQHCPPCCS-NUEKZKHPSA-N 0 1 288.366 2.656 20 30 CFEDMN CC[C@](O)(CN(C)Cc1cccc(C#N)c1)C(F)(F)F ZINC000905903094 621893855 /nfs/dbraw/zinc/89/38/55/621893855.db2.gz FWQAYUJEHDQECZ-ZDUSSCGKSA-N 0 1 286.297 2.693 20 30 CFEDMN C=CCCOc1ccccc1-c1cnc(CNC)nc1 ZINC000906175905 621945245 /nfs/dbraw/zinc/94/52/45/621945245.db2.gz CYIKWVWZMSQNBR-UHFFFAOYSA-N 0 1 269.348 2.818 20 30 CFEDMN N#Cc1ccc(-c2cnc([C@@H]3CCCCN3)nc2)cc1 ZINC000906163877 621951050 /nfs/dbraw/zinc/95/10/50/621951050.db2.gz HUZXLTAZRSNLJT-HNNXBMFYSA-N 0 1 264.332 2.830 20 30 CFEDMN C#CCCC[N@@H+](CC(=O)[O-])[C@@H](CC)c1ccccc1 ZINC000833361695 625563066 /nfs/dbraw/zinc/56/30/66/625563066.db2.gz HVGVUFZNBAUVOC-HNNXBMFYSA-N 0 1 259.349 2.938 20 30 CFEDMN C[C@@H]1CCCC[C@H]1C(=O)[C@@H](C#N)C(=O)NC1CCCC1 ZINC000819947403 622580879 /nfs/dbraw/zinc/58/08/79/622580879.db2.gz BHSPUJAZCPHRRD-MRVWCRGKSA-N 0 1 276.380 2.580 20 30 CFEDMN CCC(C#N)(CC)C(=O)N1CCN(C)[C@H](C(C)(C)C)C1 ZINC000912027686 622607942 /nfs/dbraw/zinc/60/79/42/622607942.db2.gz USOCFVMNGDVMRF-ZDUSSCGKSA-N 0 1 279.428 2.505 20 30 CFEDMN C#CC[C@H](OC(=O)c1cc2[nH]cnc2cc1F)C(C)C ZINC000820184388 622622647 /nfs/dbraw/zinc/62/26/47/622622647.db2.gz OTOSZFKYRYVOFR-AWEZNQCLSA-N 0 1 274.295 2.907 20 30 CFEDMN CC(C)(CC#N)COC(=O)c1cc2[nH]cnc2cc1F ZINC000820626053 622719522 /nfs/dbraw/zinc/71/95/22/622719522.db2.gz DPUQZQFUZNIELO-UHFFFAOYSA-N 0 1 275.283 2.799 20 30 CFEDMN C#CCC[C@H](C)OC(=O)c1cc2[nH]cnc2cc1F ZINC000821375709 622907579 /nfs/dbraw/zinc/90/75/79/622907579.db2.gz CTVBPIJJQZZEBB-VIFPVBQESA-N 0 1 260.268 2.661 20 30 CFEDMN C=CCc1cc(OC)cc(CN2CCOC[C@@H]2CC)c1O ZINC000164359302 622950397 /nfs/dbraw/zinc/95/03/97/622950397.db2.gz CHQCNZYHGDJQTL-HNNXBMFYSA-N 0 1 291.391 2.740 20 30 CFEDMN CCCCCCCCN(C1CC1)[C@@H]1CCS(=O)(=O)C1 ZINC000158058241 623088114 /nfs/dbraw/zinc/08/81/14/623088114.db2.gz YKTHQGSBJWTEHC-OAHLLOKOSA-N 0 1 287.469 2.998 20 30 CFEDMN CC(C)NC(=O)C(C#N)C(=O)C[C@H](C)c1ccccc1F ZINC000170673003 623173259 /nfs/dbraw/zinc/17/32/59/623173259.db2.gz ILXPRKIRGNIAHW-WCQYABFASA-N 0 1 290.338 2.553 20 30 CFEDMN N#CCCC[C@@H](NC(=O)CN1CCCC1)c1ccccc1 ZINC000823145156 623245247 /nfs/dbraw/zinc/24/52/47/623245247.db2.gz OEVNHIBNWNAOKT-MRXNPFEDSA-N 0 1 285.391 2.634 20 30 CFEDMN CN(Cc1ccccc1O)Cc1ccccc1C#N ZINC000171926769 623249049 /nfs/dbraw/zinc/24/90/49/623249049.db2.gz PCBRQVUIEXUDKO-UHFFFAOYSA-N 0 1 252.317 2.896 20 30 CFEDMN COc1ccc(NC(=O)C(C#N)C(=O)[C@H](C)C(C)C)cc1 ZINC000172021521 623253703 /nfs/dbraw/zinc/25/37/03/623253703.db2.gz CEPPGPPAHXZAQS-BXUZGUMPSA-N 0 1 288.347 2.635 20 30 CFEDMN CC(C)[C@@H](C)C(=O)C(C#N)C(=O)Nc1ccccc1 ZINC000172020753 623254073 /nfs/dbraw/zinc/25/40/73/623254073.db2.gz FEVSFVWKOFFGIC-YPMHNXCESA-N 0 1 258.321 2.626 20 30 CFEDMN CCCCCC[C@@H](C)C(=O)C(C#N)C(=O)NC(C)C ZINC000173982978 623378850 /nfs/dbraw/zinc/37/88/50/623378850.db2.gz IZVNBHHJMZVYFS-CHWSQXEVSA-N 0 1 266.385 2.826 20 30 CFEDMN C#CCN(CC#C)CCC(=O)Nc1cccc2ccccc21 ZINC000174048824 623384327 /nfs/dbraw/zinc/38/43/27/623384327.db2.gz QXGBHPYHJHBLFG-UHFFFAOYSA-N 0 1 290.366 2.737 20 30 CFEDMN C=CCN1CC[C@@H](NC(=O)c2cc(C)c3ccccc3n2)C1 ZINC001014978777 623438711 /nfs/dbraw/zinc/43/87/11/623438711.db2.gz NDOWUVDKKMDLHJ-CQSZACIVSA-N 0 1 295.386 2.533 20 30 CFEDMN N#C[C@H]1CC[C@H](NCc2cc(F)cnc2Cl)C1 ZINC000824542854 623521023 /nfs/dbraw/zinc/52/10/23/623521023.db2.gz CMSAPBKFIKSMFP-KWQFWETISA-N 0 1 253.708 2.656 20 30 CFEDMN C#CCN1CC[C@@]2(NC(=O)c3cc(C)cc(C)c3)CCC[C@H]12 ZINC000992443992 623561165 /nfs/dbraw/zinc/56/11/65/623561165.db2.gz ADKIXBWVKGTKLS-HKUYNNGSSA-N 0 1 296.414 2.663 20 30 CFEDMN C[C@]1(CNCc2nc(C#N)cs2)CC1(Cl)Cl ZINC000824772758 623562548 /nfs/dbraw/zinc/56/25/48/623562548.db2.gz HTCRWSVLUZUBAP-SECBINFHSA-N 0 1 276.192 2.688 20 30 CFEDMN C#Cc1ccc(CN2CCN(c3ccnc(F)c3)CC2)cc1 ZINC000824805655 623568659 /nfs/dbraw/zinc/56/86/59/623568659.db2.gz NOFVLLLIUZJZFJ-UHFFFAOYSA-N 0 1 295.361 2.524 20 30 CFEDMN CCCCCCCCC(=O)N1CCC(c2nn[nH]n2)CC1 ZINC000913742834 623573927 /nfs/dbraw/zinc/57/39/27/623573927.db2.gz XADKNHBYXRZZAD-UHFFFAOYSA-N 0 1 293.415 2.656 20 30 CFEDMN C#CCN1CC[C@@]2(NC(=O)c3cc(C)ccc3C)CCC[C@H]12 ZINC000992464678 623581674 /nfs/dbraw/zinc/58/16/74/623581674.db2.gz QMWVFXBIMLYHSR-HKUYNNGSSA-N 0 1 296.414 2.663 20 30 CFEDMN CCc1ncc(CNCc2ccc(N(C)CCC#N)cc2)o1 ZINC000825078773 623623325 /nfs/dbraw/zinc/62/33/25/623623325.db2.gz CYTKBSOOHKNMIM-UHFFFAOYSA-N 0 1 298.390 2.877 20 30 CFEDMN C=CCC1(C(=O)NO[C@@H]2CCCCO2)CCCC1 ZINC000825553853 623714332 /nfs/dbraw/zinc/71/43/32/623714332.db2.gz CNGWCPSPWIZMEA-GFCCVEGCSA-N 0 1 253.342 2.697 20 30 CFEDMN C=C[C@H](CC)CC(=O)NC[C@H]1CCN1Cc1ccccc1 ZINC000826634999 623826915 /nfs/dbraw/zinc/82/69/15/623826915.db2.gz KGIHUNCONWQJTL-NVXWUHKLSA-N 0 1 286.419 2.979 20 30 CFEDMN C=C(C)CN1CCC[C@@H](NC(=O)c2cccs2)[C@@H]1C ZINC000993010020 623839924 /nfs/dbraw/zinc/83/99/24/623839924.db2.gz SSWMODDTJVEATD-QWHCGFSZSA-N 0 1 278.421 2.907 20 30 CFEDMN C#CCCN1CCC[C@H](NC(=O)c2ccc(Cl)o2)[C@@H]1C ZINC000993040917 623861405 /nfs/dbraw/zinc/86/14/05/623861405.db2.gz RQMBKBQJBQJUQI-RYUDHWBXSA-N 0 1 294.782 2.539 20 30 CFEDMN C=C(C)CC[N@@H+]1CCC[C@@H](NC(=O)c2cncs2)[C@H]1C ZINC000993076797 623894522 /nfs/dbraw/zinc/89/45/22/623894522.db2.gz GQZSBWDUMRCBDL-CHWSQXEVSA-N 0 1 293.436 2.692 20 30 CFEDMN COC(=O)/C=C/c1ccc(CN2CCC[C@H](CC#N)C2)o1 ZINC000826861294 623896582 /nfs/dbraw/zinc/89/65/82/623896582.db2.gz DLJZJCIKEQDANT-KTRBRXNASA-N 0 1 288.347 2.591 20 30 CFEDMN CC#CC[N@H+]1CCC[C@H](NC(=O)C=C2CCCCC2)[C@@H]1C ZINC000993113062 623918875 /nfs/dbraw/zinc/91/88/75/623918875.db2.gz XVAXVHXQJWKHOP-RDJZCZTQSA-N 0 1 288.435 2.869 20 30 CFEDMN CC#CCN1CCC[C@H](NC(=O)C=C2CCCCC2)[C@@H]1C ZINC000993113062 623918877 /nfs/dbraw/zinc/91/88/77/623918877.db2.gz XVAXVHXQJWKHOP-RDJZCZTQSA-N 0 1 288.435 2.869 20 30 CFEDMN COc1ccc(C=NNc2ccccc2[N+](=O)[O-])c(O)c1 ZINC000914693407 623920486 /nfs/dbraw/zinc/92/04/86/623920486.db2.gz UPKLUOXYVQZJTL-UHFFFAOYSA-N 0 1 287.275 2.755 20 30 CFEDMN C#CCN1CCC[C@H](NC(=O)C2CCCCCC2)[C@H]1C ZINC000993115987 623922205 /nfs/dbraw/zinc/92/22/05/623922205.db2.gz DJRJWYQZEDJOPI-ZBFHGGJFSA-N 0 1 276.424 2.559 20 30 CFEDMN C[C@@H]1CCN(Cc2ccccc2)CC1N=Nc1ccncn1 ZINC000835002237 623926326 /nfs/dbraw/zinc/92/63/26/623926326.db2.gz SUJYZQINKNPSTA-CQSZACIVSA-N 0 1 295.390 2.787 20 30 CFEDMN CC(=NOC(C)C)c1cccc(N2CCOCC2)c1 ZINC000835003864 623927868 /nfs/dbraw/zinc/92/78/68/623927868.db2.gz BASRRFZCNRHQSN-UHFFFAOYSA-N 0 1 262.353 2.672 20 30 CFEDMN CC#CCN1CCC[C@H](NC(=O)C(C)=C2CCCC2)[C@@H]1C ZINC000993199062 624016805 /nfs/dbraw/zinc/01/68/05/624016805.db2.gz LHIFRZIITFQVIS-RDJZCZTQSA-N 0 1 288.435 2.869 20 30 CFEDMN C#C[C@@H](NCc1nn(CC)c2ccccc12)C1CCOCC1 ZINC000827560514 624032039 /nfs/dbraw/zinc/03/20/39/624032039.db2.gz QUWVVHCWHDJLDK-MRXNPFEDSA-N 0 1 297.402 2.574 20 30 CFEDMN C#C[C@H](NCc1ccnc(Cl)c1Cl)C1CCOCC1 ZINC000827560542 624032175 /nfs/dbraw/zinc/03/21/75/624032175.db2.gz RLOZERMKKLVLOC-LBPRGKRZSA-N 0 1 299.201 2.906 20 30 CFEDMN C=C(Cl)CN[C@@H]1CN(C(=O)[C@@H]2CC=CCC2)CC1(C)C ZINC000995452256 625702960 /nfs/dbraw/zinc/70/29/60/625702960.db2.gz ZSOULSZUOPMQGA-ZIAGYGMSSA-N 0 1 296.842 2.922 20 30 CFEDMN C=CCN1CCC[C@@H](NC(=O)c2occ3c2CCC3)[C@H]1C ZINC000993638459 624154893 /nfs/dbraw/zinc/15/48/93/624154893.db2.gz FKTOBZKACZOVCA-IUODEOHRSA-N 0 1 288.391 2.537 20 30 CFEDMN CC#CCN1CCC[C@@H](NC(=O)C2(C3CC3)CCC2)[C@@H]1C ZINC000993671822 624158043 /nfs/dbraw/zinc/15/80/43/624158043.db2.gz VDSVQUCPOAGUEJ-GOEBONIOSA-N 0 1 288.435 2.559 20 30 CFEDMN CC#CCN1CCC[C@@H](NC(=O)C2(C3CC3)CCC2)[C@H]1C ZINC000993671818 624158248 /nfs/dbraw/zinc/15/82/48/624158248.db2.gz VDSVQUCPOAGUEJ-GDBMZVCRSA-N 0 1 288.435 2.559 20 30 CFEDMN C=CCN1CCC[C@H](NC(=O)c2cccc(F)c2F)[C@H]1C ZINC000993715964 624160786 /nfs/dbraw/zinc/16/07/86/624160786.db2.gz NDBJIJGPHNTKGY-RISCZKNCSA-N 0 1 294.345 2.734 20 30 CFEDMN C=CCN1CCC[C@@H](NC(=O)c2ccc3cc[nH]c3c2)[C@H]1C ZINC000993904565 624173812 /nfs/dbraw/zinc/17/38/12/624173812.db2.gz PZOHOZFIGNFQAW-CZUORRHYSA-N 0 1 297.402 2.937 20 30 CFEDMN C=CCN1CCC[C@H](NC(=O)c2cc3ccccn3c2)[C@H]1C ZINC000993908727 624174145 /nfs/dbraw/zinc/17/41/45/624174145.db2.gz VIIVIQNPWMJHKP-PBHICJAKSA-N 0 1 297.402 2.708 20 30 CFEDMN CN(C)c1ccc(C=[NH+][N-]c2ccc([N+](=O)[O-])cn2)s1 ZINC000915968488 624195845 /nfs/dbraw/zinc/19/58/45/624195845.db2.gz AQVGHALYLFYOHU-UHFFFAOYSA-N 0 1 291.336 2.563 20 30 CFEDMN CC(=NNCCN1CCCCC1)c1ccc(F)cc1 ZINC000915974331 624198639 /nfs/dbraw/zinc/19/86/39/624198639.db2.gz RUGBUIGGVXNIJN-UHFFFAOYSA-N 0 1 263.360 2.625 20 30 CFEDMN CC(=NNCCN1CCCCC1)c1ccc(C)cc1 ZINC000915973480 624198827 /nfs/dbraw/zinc/19/88/27/624198827.db2.gz JWDBPXHAQLYBRV-UHFFFAOYSA-N 0 1 259.397 2.795 20 30 CFEDMN CC(=NNCCN1CCCCC1)c1cc(C)oc1C ZINC000915975141 624199964 /nfs/dbraw/zinc/19/99/64/624199964.db2.gz PIUSWHZWDXZVLA-UHFFFAOYSA-N 0 1 263.385 2.696 20 30 CFEDMN N#Cc1ccc2nc(NC(=O)[C@]34C[C@H]3CCC4)[nH]c2c1 ZINC000828260747 624215957 /nfs/dbraw/zinc/21/59/57/624215957.db2.gz IEVXRAHYERGYFD-MEBBXXQBSA-N 0 1 266.304 2.563 20 30 CFEDMN CC#CCN1CCC[C@H](NC(=O)c2cc(C)cc(C)c2)[C@@H]1C ZINC000994299245 624275166 /nfs/dbraw/zinc/27/51/66/624275166.db2.gz XOIQZVPKPMYXSE-WMZOPIPTSA-N 0 1 298.430 2.909 20 30 CFEDMN C=CC[N@@H+]1CCC[C@@H](NC(=O)c2c(F)cccc2F)[C@@H]1C ZINC000994301916 624275248 /nfs/dbraw/zinc/27/52/48/624275248.db2.gz TZQZWXUPDZSHTA-SMDDNHRTSA-N 0 1 294.345 2.734 20 30 CFEDMN C=CCN1CCC[C@@H](NC(=O)c2c(F)cccc2F)[C@@H]1C ZINC000994301916 624275249 /nfs/dbraw/zinc/27/52/49/624275249.db2.gz TZQZWXUPDZSHTA-SMDDNHRTSA-N 0 1 294.345 2.734 20 30 CFEDMN C#CCN1CCC[C@@H](NC(=O)c2ccc(C)cc2C)[C@H]1C ZINC000994342311 624277263 /nfs/dbraw/zinc/27/72/63/624277263.db2.gz AIIKWUMPFJPUMD-NVXWUHKLSA-N 0 1 284.403 2.519 20 30 CFEDMN C=CC[N@@H+]1CCC[C@@H](NC(=O)c2cc3ccccc3[nH]2)[C@H]1C ZINC000994370018 624278402 /nfs/dbraw/zinc/27/84/02/624278402.db2.gz ZQWIFTCPHHIPSM-UKRRQHHQSA-N 0 1 297.402 2.937 20 30 CFEDMN C=CCN1CCC[C@@H](NC(=O)c2cc3ccccc3[nH]2)[C@H]1C ZINC000994370018 624278405 /nfs/dbraw/zinc/27/84/05/624278405.db2.gz ZQWIFTCPHHIPSM-UKRRQHHQSA-N 0 1 297.402 2.937 20 30 CFEDMN CCCCCCNC(=O)C(C#N)C(=O)CSC(C)C ZINC000916875171 624290298 /nfs/dbraw/zinc/29/02/98/624290298.db2.gz UZVVEDGZTSPHKZ-GFCCVEGCSA-N 0 1 284.425 2.533 20 30 CFEDMN C=CCN1CCC[C@@H](NC(=O)c2c(C)nsc2C)[C@@H]1C ZINC000994472924 624306568 /nfs/dbraw/zinc/30/65/68/624306568.db2.gz NOTJRMIJVPAHFS-WCQYABFASA-N 0 1 293.436 2.529 20 30 CFEDMN C=CCN(CC(=O)N[C@H](C)c1ccc(F)cc1)C(C)C ZINC000917069139 624306786 /nfs/dbraw/zinc/30/67/86/624306786.db2.gz JIYGDVBWWKMQTR-CYBMUJFWSA-N 0 1 278.371 2.899 20 30 CFEDMN C=CCN1CCC[C@@H](NC(=O)c2c(C)nsc2C)[C@H]1C ZINC000994472919 624307005 /nfs/dbraw/zinc/30/70/05/624307005.db2.gz NOTJRMIJVPAHFS-DGCLKSJQSA-N 0 1 293.436 2.529 20 30 CFEDMN C=CCN(CC(=O)NCc1ccccc1C)C(C)C ZINC000917070935 624307570 /nfs/dbraw/zinc/30/75/70/624307570.db2.gz JWXRXCAVCRLENZ-UHFFFAOYSA-N 0 1 260.381 2.508 20 30 CFEDMN C=CCN1C(=O)N=NC1SCCOC1CCCCC1 ZINC000917209789 624322453 /nfs/dbraw/zinc/32/24/53/624322453.db2.gz MOVYIYCNJZBCJJ-UHFFFAOYSA-N 0 1 283.397 2.611 20 30 CFEDMN C=CCN1C(=O)N=NC1SCCCC(C)(F)F ZINC000917211261 624323344 /nfs/dbraw/zinc/32/33/44/624323344.db2.gz YRQCUNWPQFJJIP-UHFFFAOYSA-N 0 1 263.313 2.697 20 30 CFEDMN Cc1nc(C#N)c(NN=Cc2cc3ccccc3[nH]c2=O)o1 ZINC000917555912 624359473 /nfs/dbraw/zinc/35/94/73/624359473.db2.gz XHELLFXZFUMTRM-UHFFFAOYSA-N 0 1 293.286 2.555 20 30 CFEDMN C=CCN(C(=O)NC[C@@H](c1cccs1)N(C)C)C(C)C ZINC000918057621 624413024 /nfs/dbraw/zinc/41/30/24/624413024.db2.gz WTCCDQSTGAVSDQ-ZDUSSCGKSA-N 0 1 295.452 2.957 20 30 CFEDMN C#CC[C@@H]1CCCN([C@@H](C)C(=O)Nc2cccc(F)c2)C1 ZINC000829779337 624534620 /nfs/dbraw/zinc/53/46/20/624534620.db2.gz QSGOBHGUOADKCW-UONOGXRCSA-N 0 1 288.366 2.888 20 30 CFEDMN C#CC[C@H]1CCCN(Cc2cn3c(cccc3C)n2)C1 ZINC000829779241 624534890 /nfs/dbraw/zinc/53/48/90/624534890.db2.gz PFIOEJRQTLHKGV-HNNXBMFYSA-N 0 1 267.376 2.878 20 30 CFEDMN C#CC[C@@H]1CCCN(Cc2cn(-c3ccccc3)nn2)C1 ZINC000829784962 624536795 /nfs/dbraw/zinc/53/67/95/624536795.db2.gz OHWUFAKXHZDIKM-OAHLLOKOSA-N 0 1 280.375 2.503 20 30 CFEDMN C#CC[C@@H]1CCCN(Cc2cccc(F)c2C#N)C1 ZINC000829815588 624553611 /nfs/dbraw/zinc/55/36/11/624553611.db2.gz OVEBZQZRGLLYAD-CYBMUJFWSA-N 0 1 256.324 2.933 20 30 CFEDMN C#CCN1CCC(NC(=O)N[C@H](C)CCC(C)(C)C)CC1 ZINC000919461734 624575957 /nfs/dbraw/zinc/57/59/57/624575957.db2.gz CLWYUHHRSYJISG-CQSZACIVSA-N 0 1 293.455 2.598 20 30 CFEDMN C#CCN(CC)C[C@H](O)c1ccc2ccccc2c1 ZINC000920095238 624676473 /nfs/dbraw/zinc/67/64/73/624676473.db2.gz MNVJCJXWRFJZBP-KRWDZBQOSA-N 0 1 253.345 2.828 20 30 CFEDMN C#CC1CCN(CC(=O)N(C)[C@H](C)c2ccccc2)CC1 ZINC000830301419 624703164 /nfs/dbraw/zinc/70/31/64/624703164.db2.gz MWYOISWPJVUUAV-OAHLLOKOSA-N 0 1 284.403 2.551 20 30 CFEDMN C#CC1CCN(Cc2cc(Cl)c3c(c2)OCCO3)CC1 ZINC000830301346 624703892 /nfs/dbraw/zinc/70/38/92/624703892.db2.gz JVXUMMCFVHOQMX-UHFFFAOYSA-N 0 1 291.778 2.956 20 30 CFEDMN Cc1cccc2c1OCCC2=NNCCN1CCCCC1 ZINC000920375488 624715799 /nfs/dbraw/zinc/71/57/99/624715799.db2.gz UNKUBAKJTQPEFK-UHFFFAOYSA-N 0 1 287.407 2.557 20 30 CFEDMN C[C@@H]1CCCC[C@H]1CC(=O)C(C#N)C(=O)N1CCCC1 ZINC000920790080 624771753 /nfs/dbraw/zinc/77/17/53/624771753.db2.gz OELPAVZHRVMIHC-RDBSUJKOSA-N 0 1 276.380 2.534 20 30 CFEDMN C=C1CCC(CNC(=O)[C@@H]2CCN2C2CCCC2)CC1 ZINC000830985113 624947239 /nfs/dbraw/zinc/94/72/39/624947239.db2.gz KZPRNWRWGYVMAO-INIZCTEOSA-N 0 1 276.424 2.866 20 30 CFEDMN C=C1CCC(CNC(=O)[C@@H]2CCCc3[nH]ncc32)CC1 ZINC000830997764 624949944 /nfs/dbraw/zinc/94/99/44/624949944.db2.gz ARSGFQBZRRRNDB-CYBMUJFWSA-N 0 1 273.380 2.692 20 30 CFEDMN C[C@H](C#N)Oc1ccc(CNCc2ccco2)cc1 ZINC000237579589 624964341 /nfs/dbraw/zinc/96/43/41/624964341.db2.gz AGJQUWIYZSTAOE-GFCCVEGCSA-N 0 1 256.305 2.860 20 30 CFEDMN CC(C)(C#N)CCCN1CCN(c2cccc(F)n2)CC1 ZINC000831477901 625033057 /nfs/dbraw/zinc/03/30/57/625033057.db2.gz RBARWOYQJICRGY-UHFFFAOYSA-N 0 1 290.386 2.673 20 30 CFEDMN C=C(Cl)CN1C[C@@H](C(=O)NCCCC)CC[C@H]1C ZINC000069173688 625059290 /nfs/dbraw/zinc/05/92/90/625059290.db2.gz NCNYCZQBVUSQJO-OLZOCXBDSA-N 0 1 272.820 2.756 20 30 CFEDMN C=C(C)CN(C)Cc1cc(F)cc(C(C)=O)c1O ZINC000181272822 625093029 /nfs/dbraw/zinc/09/30/29/625093029.db2.gz ZEORPVKTJUQSKM-UHFFFAOYSA-N 0 1 251.301 2.742 20 30 CFEDMN C=C[C@@H]1OCC[C@H]1NCc1cc(Cl)ccc1[N+](=O)[O-] ZINC000831678929 625095103 /nfs/dbraw/zinc/09/51/03/625095103.db2.gz LVRKLLKNCPNHSE-YPMHNXCESA-N 0 1 282.727 2.681 20 30 CFEDMN CCCCCNC(=O)C(C#N)C(=O)CC1CCCC1 ZINC000069911759 625244013 /nfs/dbraw/zinc/24/40/13/625244013.db2.gz WRUGCOBRMYKCMJ-CYBMUJFWSA-N 0 1 264.369 2.582 20 30 CFEDMN C=C(Cl)CN[C@H]1CN(C(=O)[C@@H](F)C(C)C)CC1(C)C ZINC000996153404 625880518 /nfs/dbraw/zinc/88/05/18/625880518.db2.gz HYGVQDDDLBGXNS-RYUDHWBXSA-N 0 1 290.810 2.560 20 30 CFEDMN C#CCN(CC#C)Cc1ccc(OC)c2ccccc12 ZINC000769442840 625923433 /nfs/dbraw/zinc/92/34/33/625923433.db2.gz JRZKUFATKLMWTE-UHFFFAOYSA-N 0 1 263.340 2.917 20 30 CFEDMN CC(=NNCCN1CCCCC1)c1csc(C)c1 ZINC000834943250 625930087 /nfs/dbraw/zinc/93/00/87/625930087.db2.gz SMPWATCOBQVACA-UHFFFAOYSA-N 0 1 265.426 2.856 20 30 CFEDMN CCOC(=O)c1ccc(N=NC2CCn3ccnc32)cc1C ZINC000834978244 625942375 /nfs/dbraw/zinc/94/23/75/625942375.db2.gz DDAVPTLFUQBVNL-UHFFFAOYSA-N 0 1 298.346 2.588 20 30 CFEDMN CCc1nn(C)cc1C=NNc1ccc(C(F)(F)F)cn1 ZINC000770592239 625942718 /nfs/dbraw/zinc/94/27/18/625942718.db2.gz ROYMULNBMSKWPB-UHFFFAOYSA-N 0 1 297.284 2.842 20 30 CFEDMN CCn1ccnc1C(C)N=Nc1ccc([N+](=O)[O-])cc1C ZINC000834980492 625944338 /nfs/dbraw/zinc/94/43/38/625944338.db2.gz XTIOAUDHGPSEBK-UHFFFAOYSA-N 0 1 287.323 2.956 20 30 CFEDMN C[C@H]1CCC(=NNc2cnnn2C)c2sccc21 ZINC000834983696 625945214 /nfs/dbraw/zinc/94/52/14/625945214.db2.gz SEFMFPRKVIVIHX-QMMMGPOBSA-N 0 1 261.354 2.590 20 30 CFEDMN CC1(C)Cc2occc2C(=NNc2ccncn2)C1 ZINC000835001798 625951272 /nfs/dbraw/zinc/95/12/72/625951272.db2.gz JVIJTPIXQHEHJL-UHFFFAOYSA-N 0 1 256.309 2.858 20 30 CFEDMN CC(C)(C)c1ncc(CN=Nc2ccncn2)s1 ZINC000835003560 625952021 /nfs/dbraw/zinc/95/20/21/625952021.db2.gz YGCJNXUPZIJPFK-UHFFFAOYSA-N 0 1 261.354 2.677 20 30 CFEDMN C=CCN1CC[C@H](NC(=O)C[C@H]2CCc3ccccc3C2)C1 ZINC001016101098 626040578 /nfs/dbraw/zinc/04/05/78/626040578.db2.gz NNKHRYVYWMMLMG-YJBOKZPZSA-N 0 1 298.430 2.558 20 30 CFEDMN CC(C)CC(=O)N1CCC[C@H](NCc2ccccc2C#N)C1 ZINC000998402599 626048362 /nfs/dbraw/zinc/04/83/62/626048362.db2.gz CNFRMEQQENGCGB-KRWDZBQOSA-N 0 1 299.418 2.685 20 30 CFEDMN C=C(Cl)CN[C@@H]1CCCN(C(=O)c2occc2C)C1 ZINC000998548745 626055795 /nfs/dbraw/zinc/05/57/95/626055795.db2.gz SSYDYZZEPUTRNF-GFCCVEGCSA-N 0 1 282.771 2.535 20 30 CFEDMN C=C(Cl)CN[C@H]1CCCN(C(=O)C(F)=C(C)C)C1 ZINC000998903056 626063743 /nfs/dbraw/zinc/06/37/43/626063743.db2.gz BGYHJMFIVLCMKQ-NSHDSACASA-N 0 1 274.767 2.583 20 30 CFEDMN C/C=C(\C)C(=O)N1CCC[C@@H](NCc2ccccc2C#N)C1 ZINC000998886216 626063957 /nfs/dbraw/zinc/06/39/57/626063957.db2.gz POLSMTMOZILFHD-UEHGYGDOSA-N 0 1 297.402 2.605 20 30 CFEDMN C=C(Cl)CN[C@H]1CCCN(C(=O)C2(F)CCCC2)C1 ZINC000999553652 626076032 /nfs/dbraw/zinc/07/60/32/626076032.db2.gz BOAVCJHGWXXJKP-LBPRGKRZSA-N 0 1 288.794 2.602 20 30 CFEDMN CN(C(=O)C(C)(C)C)C1CC(NCc2ccccc2C#N)C1 ZINC000999731582 626078844 /nfs/dbraw/zinc/07/88/44/626078844.db2.gz ONMFGJJXEAEHBA-UHFFFAOYSA-N 0 1 299.418 2.683 20 30 CFEDMN N#Cc1cc(CN[C@H](CCO)c2cccs2)cs1 ZINC000921771361 626117899 /nfs/dbraw/zinc/11/78/99/626117899.db2.gz UUVOLDHJBBZJHT-GFCCVEGCSA-N 0 1 278.402 2.895 20 30 CFEDMN C[C@@H](NCc1c2c(nn1C)CCC2)c1cccc(C#N)c1 ZINC000921803243 626131685 /nfs/dbraw/zinc/13/16/85/626131685.db2.gz PPYRNXJUJAHMOX-GFCCVEGCSA-N 0 1 280.375 2.631 20 30 CFEDMN C[C@H](NCc1c2c(nn1C)CCC2)c1cccc(C#N)c1 ZINC000921803244 626131692 /nfs/dbraw/zinc/13/16/92/626131692.db2.gz PPYRNXJUJAHMOX-LBPRGKRZSA-N 0 1 280.375 2.631 20 30 CFEDMN Cc1ccsc1[C@@H](CO)NCc1csc(C#N)c1 ZINC000921818068 626141598 /nfs/dbraw/zinc/14/15/98/626141598.db2.gz MMFVNFHVIMTMSL-GFCCVEGCSA-N 0 1 278.402 2.813 20 30 CFEDMN C=CCOCCNCc1cc(C#N)ccc1Br ZINC000921980040 626189755 /nfs/dbraw/zinc/18/97/55/626189755.db2.gz JYTVOTPVMMIFSU-UHFFFAOYSA-N 0 1 295.180 2.613 20 30 CFEDMN C=CCN1CC[C@@H](NC(=O)[C@H]2CCCCc3ccccc32)C1 ZINC001016351647 626206551 /nfs/dbraw/zinc/20/65/51/626206551.db2.gz CNAUUURGJCDOSU-AEFFLSMTSA-N 0 1 298.430 2.873 20 30 CFEDMN CO[C@H](C)[C@@H](C)NCc1cc(C#N)ccc1Br ZINC000922136864 626215845 /nfs/dbraw/zinc/21/58/45/626215845.db2.gz GSAWLYFHOZZNHE-NXEZZACHSA-N 0 1 297.196 2.834 20 30 CFEDMN Cc1cc(C#N)cc(C)c1CNCc1ncccc1N(C)C ZINC000922142083 626216490 /nfs/dbraw/zinc/21/64/90/626216490.db2.gz VKPFFFKEYCDWBI-UHFFFAOYSA-N 0 1 294.402 2.926 20 30 CFEDMN CC#CCN1CCC(NC(=O)C2(C)CCCCCC2)CC1 ZINC001003043710 626216818 /nfs/dbraw/zinc/21/68/18/626216818.db2.gz BZBQGHAQDSRGJG-UHFFFAOYSA-N 0 1 290.451 2.951 20 30 CFEDMN C=C(C)CN1CC[C@H](NC(=O)c2coc3ccccc23)C1 ZINC001016401200 626236152 /nfs/dbraw/zinc/23/61/52/626236152.db2.gz DRPROKNSNFZOFW-ZDUSSCGKSA-N 0 1 284.359 2.813 20 30 CFEDMN N#Cc1ccc(C2(NCc3cnn(CCF)c3)CCC2)cc1 ZINC000922222521 626244442 /nfs/dbraw/zinc/24/44/42/626244442.db2.gz HNSQGDAKMMVHTG-UHFFFAOYSA-N 0 1 298.365 2.893 20 30 CFEDMN C#CCOCCN(Cc1ccco1)Cc1ccccc1 ZINC000851721090 634489849 /nfs/dbraw/zinc/48/98/49/634489849.db2.gz AUDIOVZDSGPTNL-UHFFFAOYSA-N 0 1 269.344 2.932 20 30 CFEDMN C#CCN1CCC(NC(=O)N[C@H](CCC)C(C)(C)C)CC1 ZINC000922700552 626345271 /nfs/dbraw/zinc/34/52/71/626345271.db2.gz QYKPSFUQVLMWRH-OAHLLOKOSA-N 0 1 293.455 2.598 20 30 CFEDMN Cc1ccc(CNCc2cnc([C@@H](C)O)s2)cc1C#N ZINC000922760233 626359941 /nfs/dbraw/zinc/35/99/41/626359941.db2.gz PTRSZXOGAPUCCY-LLVKDONJSA-N 0 1 287.388 2.666 20 30 CFEDMN CN(C)c1nc2ccc(NC(=O)C#CC(C)(C)C)cc2[nH]1 ZINC000841430262 626406200 /nfs/dbraw/zinc/40/62/00/626406200.db2.gz GRDKEKZZKAKRHC-UHFFFAOYSA-N 0 1 284.363 2.617 20 30 CFEDMN C#CCN1CCC(N(C)C(=O)[C@@H]2CCCC3(CC3)C2)CC1 ZINC001005380670 626414753 /nfs/dbraw/zinc/41/47/53/626414753.db2.gz FXWJPZMVGVRJIN-OAHLLOKOSA-N 0 1 288.435 2.513 20 30 CFEDMN CC#CCN1CCC(N(C)C(=O)C[C@@H]2CCC[C@@H]2C)CC1 ZINC001005433492 626415138 /nfs/dbraw/zinc/41/51/38/626415138.db2.gz OCHLPLFJWVXHAT-HOTGVXAUSA-N 0 1 290.451 2.759 20 30 CFEDMN Cc1csc(C(C#N)C(=O)C=Cc2ccc[nH]2)n1 ZINC000788082329 626420260 /nfs/dbraw/zinc/42/02/60/626420260.db2.gz XKSPTLSJYDWXHP-WYGGZMRJSA-N 0 1 257.318 2.669 20 30 CFEDMN CC(=O)NCCC/N=C/c1cc(Cl)cc(Cl)c1O ZINC000074114057 626427332 /nfs/dbraw/zinc/42/73/32/626427332.db2.gz BYCQMQUNSINPFR-VIZOYTHASA-N 0 1 289.162 2.644 20 30 CFEDMN CC1(C)COCCN1CCCCC1(C#N)CCC1 ZINC000929348641 626443571 /nfs/dbraw/zinc/44/35/71/626443571.db2.gz UASLHPGIKJUIOT-UHFFFAOYSA-N 0 1 250.386 2.961 20 30 CFEDMN CC#CCN1CCC(N(C)C(=O)[C@@]2(C)CCC[C@@H]2C)CC1 ZINC001005952092 626453654 /nfs/dbraw/zinc/45/36/54/626453654.db2.gz ZUXJBMBPTXLXNW-YJBOKZPZSA-N 0 1 290.451 2.759 20 30 CFEDMN CC#CCN1CCC(N(C)C(=O)[C@H]2CCC(C)(C)C2)CC1 ZINC001005955156 626453819 /nfs/dbraw/zinc/45/38/19/626453819.db2.gz AYAOOZYYGBSMIE-HNNXBMFYSA-N 0 1 290.451 2.759 20 30 CFEDMN C#CCN1CCC(N(C)C(=O)[C@@H](C)c2cccc(C)c2)CC1 ZINC001006059238 626468639 /nfs/dbraw/zinc/46/86/39/626468639.db2.gz HYNOGYRIOBQPFK-INIZCTEOSA-N 0 1 298.430 2.655 20 30 CFEDMN C#CCN1CCC(N(C)C(=O)[C@@H]2C[C@@]2(CC)C(C)C)CC1 ZINC001006213406 626480588 /nfs/dbraw/zinc/48/05/88/626480588.db2.gz ZVOKRFVLFAIZIO-WMZOPIPTSA-N 0 1 290.451 2.615 20 30 CFEDMN CC#CCN1CCC(N(C)C(=O)[C@H]2CC23CCCC3)CC1 ZINC001006249701 626481247 /nfs/dbraw/zinc/48/12/47/626481247.db2.gz UFEKTICOGWTTHN-MRXNPFEDSA-N 0 1 288.435 2.513 20 30 CFEDMN Cc1nn(C)cc1/C=C/C(=O)c1ccc(C)cc1O ZINC000121331830 626491860 /nfs/dbraw/zinc/49/18/60/626491860.db2.gz PBSFULYURNMNEY-FNORWQNLSA-N 0 1 256.305 2.639 20 30 CFEDMN C[C@H](C(=O)C(C#N)C(=O)NC1CCCCC1)C1CCC1 ZINC000838787986 626506681 /nfs/dbraw/zinc/50/66/81/626506681.db2.gz QSHFMJKALOTWKS-SMDDNHRTSA-N 0 1 276.380 2.580 20 30 CFEDMN Cc1cccc(CNC(=O)C(C#N)C(=O)[C@H](C)C2CCC2)c1 ZINC000838866963 626512032 /nfs/dbraw/zinc/51/20/32/626512032.db2.gz YRCUCFAYSICFCK-CZUORRHYSA-N 0 1 298.386 2.756 20 30 CFEDMN CCO[C@@H]1C[C@H](NCc2cc(C#N)ccc2F)[C@H]1SC ZINC000838966944 626517314 /nfs/dbraw/zinc/51/73/14/626517314.db2.gz JJFYPOUGRVTNSO-RRFJBIMHSA-N 0 1 294.395 2.696 20 30 CFEDMN C#CCC[C@@H](C)OC(=O)[C@@]1(F)CCN(C(C)(C)C)C1 ZINC000839039060 626519591 /nfs/dbraw/zinc/51/95/91/626519591.db2.gz BLWITKCGALDPRM-IUODEOHRSA-N 0 1 269.360 2.544 20 30 CFEDMN CC[C@H](C(=O)O[C@@H]1CCC[C@@H](C#N)C1)N(CC)CC ZINC000839051649 626521804 /nfs/dbraw/zinc/52/18/04/626521804.db2.gz LSDLNYWGLKNOOQ-MGPQQGTHSA-N 0 1 266.385 2.732 20 30 CFEDMN CC(C)(C)N1CC[C@](F)(C(=O)O[C@@H]2CCC[C@H](C#N)C2)C1 ZINC000839062588 626522469 /nfs/dbraw/zinc/52/24/69/626522469.db2.gz MZTZENMOUIBLLE-WOSRLPQWSA-N 0 1 296.386 2.824 20 30 CFEDMN N#C[C@@H]1CCCC[C@H]1OC(=O)c1ccc2cncn2c1 ZINC000839083661 626523954 /nfs/dbraw/zinc/52/39/54/626523954.db2.gz PETKCHPWGHSKNF-SMDDNHRTSA-N 0 1 269.304 2.573 20 30 CFEDMN Cc1ccc(-c2n[nH]cc2CN=Nc2ccccn2)o1 ZINC000839392132 626535332 /nfs/dbraw/zinc/53/53/32/626535332.db2.gz BQBNCOGSLVUYQA-UHFFFAOYSA-N 0 1 267.292 2.819 20 30 CFEDMN CCO[C@H](C(=O)Nc1cc(C#N)ccc1O)C1CCCC1 ZINC000867013249 626538002 /nfs/dbraw/zinc/53/80/02/626538002.db2.gz OZQFLNGSAUJZFZ-HNNXBMFYSA-N 0 1 288.347 2.798 20 30 CFEDMN N#Cc1ccc(O)c(NC(=O)c2ccnn2CC2CCC2)c1 ZINC000867012957 626538017 /nfs/dbraw/zinc/53/80/17/626538017.db2.gz KNCQUTSYAYDBCS-UHFFFAOYSA-N 0 1 296.330 2.513 20 30 CFEDMN CCC(=NNc1ccc(F)cc1F)c1cn[nH]c1 ZINC000788929400 626538509 /nfs/dbraw/zinc/53/85/09/626538509.db2.gz VOKHNHZDYNHJGB-UHFFFAOYSA-N 0 1 250.252 2.914 20 30 CFEDMN CCC[C@@H](C#N)NC(=O)C(F)(F)c1c(F)cccc1F ZINC000756961807 626542820 /nfs/dbraw/zinc/54/28/20/626542820.db2.gz KSZCVLGSSUAJHW-QMMMGPOBSA-N 0 1 288.244 2.865 20 30 CFEDMN C#C[C@@H](CC)NCc1c(F)cccc1N1CCCC1 ZINC000809686225 626551021 /nfs/dbraw/zinc/55/10/21/626551021.db2.gz BJKKSAHLTIALJA-ZDUSSCGKSA-N 0 1 260.356 2.927 20 30 CFEDMN C[C@@H]1CC(N=Nc2cccnn2)CN1Cc1ccccc1 ZINC000757583473 626555868 /nfs/dbraw/zinc/55/58/68/626555868.db2.gz DGMSYFUOTOMRIK-CYBMUJFWSA-N 0 1 281.363 2.539 20 30 CFEDMN COC(=O)c1ccc(NN=Cc2ccc(F)c(F)c2)nc1 ZINC000758141718 626578680 /nfs/dbraw/zinc/57/86/80/626578680.db2.gz VMDMTJWWHVXOFL-UHFFFAOYSA-N 0 1 291.257 2.592 20 30 CFEDMN C#CCNC(=S)Nc1cc(Cl)ccc1SC ZINC000758207087 626582255 /nfs/dbraw/zinc/58/22/55/626582255.db2.gz AGGZHDCURWWQFW-UHFFFAOYSA-N 0 1 270.810 2.982 20 30 CFEDMN C[C@H]1C[C@H](c2ccccc2)CN1Cn1cccc(C#N)c1=O ZINC000758221160 626583357 /nfs/dbraw/zinc/58/33/57/626583357.db2.gz FHCJQZHPAARGHU-YOEHRIQHSA-N 0 1 293.370 2.555 20 30 CFEDMN C[C@H]1C[C@@H](c2ccccc2)CN1Cn1cccc(C#N)c1=O ZINC000758221158 626583371 /nfs/dbraw/zinc/58/33/71/626583371.db2.gz FHCJQZHPAARGHU-WMLDXEAASA-N 0 1 293.370 2.555 20 30 CFEDMN CC[C@@H](C)[C@@H]1CCCCN1Cn1ccc(C)c(C#N)c1=O ZINC000758224303 626583884 /nfs/dbraw/zinc/58/38/84/626583884.db2.gz TVLBVAAMXNBFJF-CJNGLKHVSA-N 0 1 287.407 2.887 20 30 CFEDMN C(=NNCc1ccccc1)c1ccc(N2CCCC2)nc1 ZINC000758370948 626590269 /nfs/dbraw/zinc/59/02/69/626590269.db2.gz GVGQMXJDZWMCDH-UHFFFAOYSA-N 0 1 280.375 2.806 20 30 CFEDMN CC[C@H](C(=O)OCc1ccc(F)c(C#N)c1)N(CC)CC ZINC000758953867 626620442 /nfs/dbraw/zinc/62/04/42/626620442.db2.gz ZVGCOPFARLDXCY-OAHLLOKOSA-N 0 1 292.354 2.861 20 30 CFEDMN C#C[C@@H](C)NC(=O)Nc1ccc2nc(C(F)F)[nH]c2c1 ZINC000806368699 626657749 /nfs/dbraw/zinc/65/77/49/626657749.db2.gz GSZRZYHQTLXYME-SSDOTTSWSA-N 0 1 278.262 2.644 20 30 CFEDMN Cc1noc(C(C)C)c1C(=O)Nc1cc(C#N)ccc1O ZINC000759713027 626686160 /nfs/dbraw/zinc/68/61/60/626686160.db2.gz DFZNYFQSTKQQQF-UHFFFAOYSA-N 0 1 285.303 2.936 20 30 CFEDMN CO[C@@](C)(C(=O)Nc1cc(C#N)ccc1O)c1ccccc1 ZINC000759713870 626686623 /nfs/dbraw/zinc/68/66/23/626686623.db2.gz SPGBRETWTPCZND-QGZVFWFLSA-N 0 1 296.326 2.764 20 30 CFEDMN N#Cc1ccc([O-])c(NC(=O)[C@H]2CCC[N@H+]2C2CCCC2)c1 ZINC000759720660 626687234 /nfs/dbraw/zinc/68/72/34/626687234.db2.gz QZWZMFHEBADAQM-OAHLLOKOSA-N 0 1 299.374 2.609 20 30 CFEDMN COc1cccc(NC(=O)C(C#N)C(=O)[C@H]2CC23CCC3)c1 ZINC000759833530 626694472 /nfs/dbraw/zinc/69/44/72/626694472.db2.gz IYFOMQJBHFCDNR-UONOGXRCSA-N 0 1 298.342 2.533 20 30 CFEDMN C=C(C)[C@@H]1CC=C(COC(=O)CCc2nc[nH]n2)CC1 ZINC000759850771 626696992 /nfs/dbraw/zinc/69/69/92/626696992.db2.gz PCVCWMLUUZEWPN-CYBMUJFWSA-N 0 1 275.352 2.583 20 30 CFEDMN C[C@H]1CC(N=Nc2ncc(F)cn2)CN1Cc1ccccc1 ZINC000760246750 626723838 /nfs/dbraw/zinc/72/38/38/626723838.db2.gz FHRLOBOEGVEJIB-LBPRGKRZSA-N 0 1 299.353 2.678 20 30 CFEDMN N#C[C@H](C(=O)[C@@H]1C[C@H]1c1cc(F)ccc1F)c1ccncn1 ZINC000760331690 626735287 /nfs/dbraw/zinc/73/52/87/626735287.db2.gz AXHJNJFLJVQYHG-UHTWSYAYSA-N 0 1 299.280 2.735 20 30 CFEDMN N#CC(C(=O)C[C@@H]1CCc2ccccc2C1)c1ccncn1 ZINC000760336298 626735547 /nfs/dbraw/zinc/73/55/47/626735547.db2.gz XRRWOBPFBWFLQF-CZUORRHYSA-N 0 1 291.354 2.848 20 30 CFEDMN CC[C@@H](Oc1ccccc1F)C(=O)C(C#N)c1ccncn1 ZINC000760335969 626735865 /nfs/dbraw/zinc/73/58/65/626735865.db2.gz WVIJRWMAMBQFOE-SMDDNHRTSA-N 0 1 299.305 2.650 20 30 CFEDMN N#CC(C(=O)CCCc1ccccc1)c1ccncn1 ZINC000760338057 626736485 /nfs/dbraw/zinc/73/64/85/626736485.db2.gz DBLYYPHNNPNAEZ-CQSZACIVSA-N 0 1 265.316 2.676 20 30 CFEDMN N#CC(C(=O)CCSc1ccccc1)c1ccncn1 ZINC000760341702 626737116 /nfs/dbraw/zinc/73/71/16/626737116.db2.gz TXGHRGMSFMFVAT-CYBMUJFWSA-N 0 1 283.356 2.835 20 30 CFEDMN N#CC(C(=O)CCCOc1cccc(F)c1)c1ccncn1 ZINC000760345277 626737544 /nfs/dbraw/zinc/73/75/44/626737544.db2.gz LCJXKPAUVZVMQV-CQSZACIVSA-N 0 1 299.305 2.651 20 30 CFEDMN N#C[C@H](C(=O)CCn1ccc2ccccc21)c1ccncn1 ZINC000760347091 626737670 /nfs/dbraw/zinc/73/76/70/626737670.db2.gz UAJLCVAKZCAYRA-AWEZNQCLSA-N 0 1 290.326 2.698 20 30 CFEDMN C=CCCCCCCNC(=O)[C@@H]1CCCCN1C ZINC000805218173 626796358 /nfs/dbraw/zinc/79/63/58/626796358.db2.gz UMEWTEODLMTSRL-AWEZNQCLSA-N 0 1 252.402 2.723 20 30 CFEDMN C#CCOc1ccccc1CN1CCOCC2(CCC2)C1 ZINC000761225015 626817252 /nfs/dbraw/zinc/81/72/52/626817252.db2.gz FNLSBHHQWCTQCM-UHFFFAOYSA-N 0 1 285.387 2.701 20 30 CFEDMN CN(C)c1ccc2c(c1)NC(=O)C2=[NH+][N-]c1ccccc1 ZINC000761723900 626855348 /nfs/dbraw/zinc/85/53/48/626855348.db2.gz IMMAZMMJDIRKJV-UHFFFAOYSA-N 0 1 280.331 2.521 20 30 CFEDMN Cc1ccc(C=NNc2ccc(Br)cn2)nc1 ZINC000761810586 626859992 /nfs/dbraw/zinc/85/99/92/626859992.db2.gz SHCNTYFAVJLFRP-UHFFFAOYSA-N 0 1 291.152 2.994 20 30 CFEDMN COc1cc(C(C)=NNc2cnn(C)c2)ccc1SC ZINC000761861069 626865371 /nfs/dbraw/zinc/86/53/71/626865371.db2.gz URMWUZJQXGGKKU-UHFFFAOYSA-N 0 1 290.392 2.987 20 30 CFEDMN COc1ccc(Cl)cc1C(C)N=Nc1cnn(C)c1 ZINC000761867907 626866761 /nfs/dbraw/zinc/86/67/61/626866761.db2.gz XHCJPQRSFIDMRP-UHFFFAOYSA-N 0 1 278.743 2.918 20 30 CFEDMN CCCn1c(C=NNc2cnn(C)c2)nc2ccccc21 ZINC000761880485 626869036 /nfs/dbraw/zinc/86/90/36/626869036.db2.gz CBPUSRRORJDSBW-UHFFFAOYSA-N 0 1 282.351 2.626 20 30 CFEDMN CCC(N=Nc1ccc(F)cc1OC)c1ccn(C)n1 ZINC000761884058 626869105 /nfs/dbraw/zinc/86/91/05/626869105.db2.gz DJLNTADRTLYNLU-UHFFFAOYSA-N 0 1 276.315 2.794 20 30 CFEDMN CC(N=Nc1cnn(C)c1)c1ccc(Cl)s1 ZINC000761881531 626869405 /nfs/dbraw/zinc/86/94/05/626869405.db2.gz QWZDKWJXMYLGPA-UHFFFAOYSA-N 0 1 254.746 2.971 20 30 CFEDMN C#CCCc1noc(-c2cc(-c3ccccc3)n[nH]2)n1 ZINC000762001777 626879041 /nfs/dbraw/zinc/87/90/41/626879041.db2.gz RZWRWEPYKZRGIF-UHFFFAOYSA-N 0 1 264.288 2.693 20 30 CFEDMN CC#CCNC(=O)NCc1cc(Cl)cc(Cl)c1O ZINC000805241849 626906620 /nfs/dbraw/zinc/90/66/20/626906620.db2.gz DTTXGKSBAXVNTH-UHFFFAOYSA-N 0 1 287.146 2.522 20 30 CFEDMN C#Cc1ccc(C(=O)Nc2cc(Cl)c(O)cc2F)cn1 ZINC000805255135 626930430 /nfs/dbraw/zinc/93/04/30/626930430.db2.gz LVECAVXLDHTUIG-UHFFFAOYSA-N 0 1 290.681 2.813 20 30 CFEDMN C=CCCC(=O)COC(=O)c1ccc(O)c(Cl)c1 ZINC000762829168 626942179 /nfs/dbraw/zinc/94/21/79/626942179.db2.gz IKUYXTMMGSMHOW-UHFFFAOYSA-N 0 1 268.696 2.738 20 30 CFEDMN CN(C)c1ccc(C(N)=NOC/C(Cl)=C\Cl)cc1 ZINC000763180219 626968693 /nfs/dbraw/zinc/96/86/93/626968693.db2.gz QGJUTTQFPRWDHF-JXMROGBWSA-N 0 1 288.178 2.709 20 30 CFEDMN C#CCCN1CCN(c2cc(C)c3ccc(C)cc3n2)CC1 ZINC000763526892 626994982 /nfs/dbraw/zinc/99/49/82/626994982.db2.gz FTDWMNQLZLXVGP-UHFFFAOYSA-N 0 1 293.414 2.997 20 30 CFEDMN C=CCN(Cc1cccc(C#N)c1)C[C@@H]1CC2(CC2)C(=O)O1 ZINC000763677067 627004597 /nfs/dbraw/zinc/00/45/97/627004597.db2.gz UJBHJXQBJMZKTH-INIZCTEOSA-N 0 1 296.370 2.642 20 30 CFEDMN C=C(C)CN(CC)[C@H]1CCN(c2ccc(C)cc2)C1=O ZINC000764157775 627042917 /nfs/dbraw/zinc/04/29/17/627042917.db2.gz YJCPURMBZCZRSV-INIZCTEOSA-N 0 1 272.392 2.998 20 30 CFEDMN C#CCN1CCC[C@H]1COC(=O)[C@H](CCC)C(C)C ZINC000764624487 627077657 /nfs/dbraw/zinc/07/76/57/627077657.db2.gz HIOGICFIYZLGKF-LSDHHAIUSA-N 0 1 265.397 2.700 20 30 CFEDMN C[C@H]1CC(NC(=O)c2ccc(-c3ccco3)s2)=NO1 ZINC000765377042 627133900 /nfs/dbraw/zinc/13/39/00/627133900.db2.gz SFKCZUJRMJMBCT-QMMMGPOBSA-N 0 1 276.317 2.860 20 30 CFEDMN C[C@H]1CC(=NC(=O)c2cc(Cl)nc3ccccc32)NO1 ZINC000765377889 627133905 /nfs/dbraw/zinc/13/39/05/627133905.db2.gz JLDPQZAWCFIPKM-QMMMGPOBSA-N 0 1 289.722 2.740 20 30 CFEDMN C#C[C@H](C)NC(=O)NCc1cc(Cl)cc(Cl)c1O ZINC000805308757 627151045 /nfs/dbraw/zinc/15/10/45/627151045.db2.gz JMIYZKCRGWYZGG-ZETCQYMHSA-N 0 1 287.146 2.520 20 30 CFEDMN C#CCOc1ccc([C@@H](C)NCc2cc(CC)n[nH]2)cc1 ZINC000765992255 627169988 /nfs/dbraw/zinc/16/99/88/627169988.db2.gz HZTGWNXJDQQHMC-CYBMUJFWSA-N 0 1 283.375 2.835 20 30 CFEDMN C=CCN(Cn1ccc(-c2nccs2)n1)C(C)C ZINC000766065179 627175586 /nfs/dbraw/zinc/17/55/86/627175586.db2.gz BPDALRHAIPCJCR-UHFFFAOYSA-N 0 1 262.382 2.861 20 30 CFEDMN Cc1ccc(CN=Nc2ccnc(N(C)C)n2)cc1Cl ZINC000766455604 627204222 /nfs/dbraw/zinc/20/42/22/627204222.db2.gz SEUQYRODJPFPMM-UHFFFAOYSA-N 0 1 289.770 2.950 20 30 CFEDMN CC#CCCCC(=O)OC[C@H]1CCC[N@H+]1Cc1ccco1 ZINC000768004397 627302317 /nfs/dbraw/zinc/30/23/17/627302317.db2.gz WCEXCWXPJYVIAG-OAHLLOKOSA-N 0 1 289.375 2.981 20 30 CFEDMN CC#CCCCC(=O)OC[C@H]1CCCN1Cc1ccco1 ZINC000768004397 627302321 /nfs/dbraw/zinc/30/23/21/627302321.db2.gz WCEXCWXPJYVIAG-OAHLLOKOSA-N 0 1 289.375 2.981 20 30 CFEDMN C#C[C@H](CC)OC(=O)c1[nH]c(-c2cccc(OC)c2)nc1C ZINC000768049523 627307766 /nfs/dbraw/zinc/30/77/66/627307766.db2.gz QQRABKMWRHRUFI-CYBMUJFWSA-N 0 1 298.342 2.962 20 30 CFEDMN CCCC[C@H](ON=C(C)C)C(=O)N1CCN(C)CC1(C)C ZINC000768370398 627337646 /nfs/dbraw/zinc/33/76/46/627337646.db2.gz JFQXMUVBPTZYIK-AWEZNQCLSA-N 0 1 297.443 2.510 20 30 CFEDMN N#Cc1ccc(C=NNc2cc(C#N)cc(Cl)n2)s1 ZINC000768380719 627338594 /nfs/dbraw/zinc/33/85/94/627338594.db2.gz DDIAFMQGMLJZGW-UHFFFAOYSA-N 0 1 287.735 2.986 20 30 CFEDMN C=CCN(Cc1cnc2ccc(C#N)cn12)C(C)C ZINC000768546969 627352725 /nfs/dbraw/zinc/35/27/25/627352725.db2.gz GCYNIDSQLPDTFS-UHFFFAOYSA-N 0 1 254.337 2.602 20 30 CFEDMN CCCCCCCCCN(C)Cc1cnnn1C ZINC000768989820 627392949 /nfs/dbraw/zinc/39/29/49/627392949.db2.gz BVACDYLFMBEFRZ-UHFFFAOYSA-N 0 1 252.406 2.998 20 30 CFEDMN C#CCN(CC)Cc1ccc(OC(C)C)c(OC)c1 ZINC000769105698 627403063 /nfs/dbraw/zinc/40/30/63/627403063.db2.gz OIIQTTKQLKYFIL-UHFFFAOYSA-N 0 1 261.365 2.938 20 30 CFEDMN CCn1cc(CN(C)Cc2ccc(O[C@@H](C)C#N)cc2)cn1 ZINC000769426060 627437237 /nfs/dbraw/zinc/43/72/37/627437237.db2.gz BLOTVOBFNYFNJZ-AWEZNQCLSA-N 0 1 298.390 2.826 20 30 CFEDMN Cc1ccc(N=NC(C)c2ccccc2N(C)C)nn1 ZINC000769583429 627457869 /nfs/dbraw/zinc/45/78/69/627457869.db2.gz BWODBMNHNCPFMI-UHFFFAOYSA-N 0 1 269.352 2.687 20 30 CFEDMN C#CCOCCN[C@@H](C)c1c(F)cccc1Cl ZINC000851906568 634582527 /nfs/dbraw/zinc/58/25/27/634582527.db2.gz OOUKRJNAKZJFTK-JTQLQIEISA-N 0 1 255.720 2.780 20 30 CFEDMN C#CCN1CCC[C@@H]1COC(=O)C1(Cc2ccccc2)CC1 ZINC000771286805 627590899 /nfs/dbraw/zinc/59/08/99/627590899.db2.gz GHCWJJZGEJKWNT-QGZVFWFLSA-N 0 1 297.398 2.650 20 30 CFEDMN CSC=CC(=O)[C@H](C#N)c1nc2cccc(C)c2[nH]1 ZINC000771612351 627617996 /nfs/dbraw/zinc/61/79/96/627617996.db2.gz LTHWASVJLWBEPA-FGEFZZPRSA-N 0 1 271.345 2.924 20 30 CFEDMN Cc1nc(-c2cccc(C)c2)[nH]c1C(=O)O[C@H](C)C#N ZINC000772107157 627673188 /nfs/dbraw/zinc/67/31/88/627673188.db2.gz MISWCCKYBICXIQ-SNVBAGLBSA-N 0 1 269.304 2.762 20 30 CFEDMN C=C(C)CN1C[C@H](C)N(C(=O)OC(C)(C)C)C[C@H]1C ZINC000772324887 627701852 /nfs/dbraw/zinc/70/18/52/627701852.db2.gz SNUYUPCGFCIEGT-OLZOCXBDSA-N 0 1 268.401 2.892 20 30 CFEDMN C=Cn1cc(C=NN=c2[nH]c3cc(F)c(F)cc3[nH]2)cn1 ZINC000773033053 627771983 /nfs/dbraw/zinc/77/19/83/627771983.db2.gz BXADNSDZGLJLBD-UHFFFAOYSA-N 0 1 288.261 2.584 20 30 CFEDMN C=Cn1cc(C=NNc2cccc(C(F)(F)F)n2)cn1 ZINC000773060224 627776421 /nfs/dbraw/zinc/77/64/21/627776421.db2.gz VPRFSDWLNNRWOW-UHFFFAOYSA-N 0 1 281.241 2.843 20 30 CFEDMN CC(C)c1nccnc1NN=Cc1ccc([N+](=O)[O-])o1 ZINC000773085728 627781175 /nfs/dbraw/zinc/78/11/75/627781175.db2.gz KPQUJQGGNULUPU-UHFFFAOYSA-N 0 1 275.268 2.547 20 30 CFEDMN C[C@H](N[C@@H](C)c1ccc(OCC#N)cc1)c1ccnn1C ZINC000774237601 627907510 /nfs/dbraw/zinc/90/75/10/627907510.db2.gz UFVBUFFUUZYWMC-STQMWFEESA-N 0 1 284.363 2.734 20 30 CFEDMN CCCc1cccc(C=NNc2ncnc3[nH]cnc32)c1 ZINC000774375874 627919898 /nfs/dbraw/zinc/91/98/98/627919898.db2.gz VBDAVMKXWDLSCQ-UHFFFAOYSA-N 0 1 280.335 2.751 20 30 CFEDMN CCCc1cccc(C=NNC2=N[C@@H]3CCCC[C@@H]3N2)c1 ZINC000774396146 627921248 /nfs/dbraw/zinc/92/12/48/627921248.db2.gz ZANNTLIBIXIQIQ-IYBDPMFKSA-N 0 1 284.407 2.833 20 30 CFEDMN CCOCCON=C1CN(Cc2ccccc2)C[C@@H]1C ZINC000774435536 627925627 /nfs/dbraw/zinc/92/56/27/627925627.db2.gz PNIIPTSUHRUKIM-AWEZNQCLSA-N 0 1 276.380 2.547 20 30 CFEDMN COc1cc(C=NOC2CCCC2)cc([N+](=O)[O-])c1O ZINC000774596460 627940730 /nfs/dbraw/zinc/94/07/30/627940730.db2.gz FNVPZYHKBQHQAR-UHFFFAOYSA-N 0 1 280.280 2.602 20 30 CFEDMN O=[N+]([O-])c1ccc(O)cc1C=NOC1CCCC1 ZINC000774603449 627941038 /nfs/dbraw/zinc/94/10/38/627941038.db2.gz UAQOXBOULIMLGJ-UHFFFAOYSA-N 0 1 250.254 2.594 20 30 CFEDMN Cc1cc(CN(C)Cc2cccc(C(N)=O)c2)ccc1C#N ZINC000774846472 627970523 /nfs/dbraw/zinc/97/05/23/627970523.db2.gz PFDAQYBCPVRMDQ-UHFFFAOYSA-N 0 1 293.370 2.598 20 30 CFEDMN C#CC[C@H](NCc1cnn(C=C)c1)c1ccccc1 ZINC000774995460 627983909 /nfs/dbraw/zinc/98/39/09/627983909.db2.gz DXKBNOSTSZGPBG-INIZCTEOSA-N 0 1 251.333 2.838 20 30 CFEDMN C#C[C@@H](NCc1cccc2cccnc21)[C@H]1CCCO1 ZINC000775345094 628013059 /nfs/dbraw/zinc/01/30/59/628013059.db2.gz MKEIJVCTLBATNQ-HZPDHXFCSA-N 0 1 266.344 2.505 20 30 CFEDMN C#C[C@@H](NCc1ccc(N(CC)CC)cc1)[C@H]1CCCO1 ZINC000775344230 628013473 /nfs/dbraw/zinc/01/34/73/628013473.db2.gz FMJQSLDYCSBTSR-QZTJIDSGSA-N 0 1 286.419 2.803 20 30 CFEDMN C#CC[C@H](NCC(=O)Nc1ccc(O)cc1)c1ccccc1 ZINC000775399891 628020787 /nfs/dbraw/zinc/02/07/87/628020787.db2.gz VWDXNLGUMIUTDW-KRWDZBQOSA-N 0 1 294.354 2.685 20 30 CFEDMN C#C[C@H](N[C@H](C)c1ccc(C)cc1OC)[C@H]1CCCO1 ZINC000775571452 628039564 /nfs/dbraw/zinc/03/95/64/628039564.db2.gz HIKRAMJIWPUQNQ-VNQPRFMTSA-N 0 1 273.376 2.835 20 30 CFEDMN C#C[C@H](N[C@@H](C)c1ccc(OCC)cc1)[C@@H]1CCCO1 ZINC000775571303 628040007 /nfs/dbraw/zinc/04/00/07/628040007.db2.gz DYZWGFXAUSSXNK-JQFCIGGWSA-N 0 1 273.376 2.917 20 30 CFEDMN C#C[C@H](N[C@H](C)c1ccc(F)c(F)c1)[C@@H]1CCCO1 ZINC000775573530 628041715 /nfs/dbraw/zinc/04/17/15/628041715.db2.gz HPOPOVMOYIDGOX-ONERCXAPSA-N 0 1 265.303 2.796 20 30 CFEDMN CCc1cc(CN[C@H](C)c2ccc(OCC#N)cc2)[nH]n1 ZINC000776159619 628108353 /nfs/dbraw/zinc/10/83/53/628108353.db2.gz YIGDRRVQNGKLEL-GFCCVEGCSA-N 0 1 284.363 2.725 20 30 CFEDMN C[C@H]1CCN(Cc2ccccc2)CC1N=Nc1cnccn1 ZINC000776185590 628113023 /nfs/dbraw/zinc/11/30/23/628113023.db2.gz JFRDDSXCUHLEIW-AWEZNQCLSA-N 0 1 295.390 2.787 20 30 CFEDMN CN(C)c1nccc(N=NC2CCCc3ccc(F)cc32)n1 ZINC000776186384 628113455 /nfs/dbraw/zinc/11/34/55/628113455.db2.gz NDUKJHHXEOAFME-UHFFFAOYSA-N 0 1 299.353 2.834 20 30 CFEDMN CCCCCCNC(=O)C(C#N)C(=O)[C@H]1CC[C@H](C)C1 ZINC000776516341 628155447 /nfs/dbraw/zinc/15/54/47/628155447.db2.gz MFBKRZKPWIZWGR-MELADBBJSA-N 0 1 278.396 2.828 20 30 CFEDMN C#CCOCCN1CCCN(c2ccccc2Cl)CC1 ZINC000852044747 634634218 /nfs/dbraw/zinc/63/42/18/634634218.db2.gz BGTHSGHMCAYNRZ-UHFFFAOYSA-N 0 1 292.810 2.502 20 30 CFEDMN C=C(C)CN1CCN(C(=O)OC(C)(C)C)[C@@H](C)[C@@H]1C ZINC000776606999 628165043 /nfs/dbraw/zinc/16/50/43/628165043.db2.gz QJGCDIKEVKYNQJ-STQMWFEESA-N 0 1 268.401 2.892 20 30 CFEDMN C#CCN(CCc1nc(C(C)=O)c(C)[nH]1)Cc1ccccc1 ZINC000852044403 634634346 /nfs/dbraw/zinc/63/43/46/634634346.db2.gz GQAPOWPVECLIFG-UHFFFAOYSA-N 0 1 295.386 2.599 20 30 CFEDMN C#CCN(CCc1nc(C)c(C(C)=O)[nH]1)Cc1ccccc1 ZINC000852044403 634634350 /nfs/dbraw/zinc/63/43/50/634634350.db2.gz GQAPOWPVECLIFG-UHFFFAOYSA-N 0 1 295.386 2.599 20 30 CFEDMN Fc1cc(Cl)cc(C=NNc2ncnc3nc[nH]c32)c1 ZINC000776723874 628170610 /nfs/dbraw/zinc/17/06/10/628170610.db2.gz NJXPWJDTOBSTMU-UHFFFAOYSA-N 0 1 290.689 2.591 20 30 CFEDMN COc1cc(C)nc(CN=Nc2ccc(C)cn2)c1 ZINC000776768666 628176882 /nfs/dbraw/zinc/17/68/82/628176882.db2.gz QTEMQFQLSCUQPR-UHFFFAOYSA-N 0 1 256.309 2.548 20 30 CFEDMN Cc1cc(C#N)ccc1CN(C)Cc1cccc(C(N)=O)c1 ZINC000776788270 628177944 /nfs/dbraw/zinc/17/79/44/628177944.db2.gz LAEBUUDTJWQQPX-UHFFFAOYSA-N 0 1 293.370 2.598 20 30 CFEDMN O=c1ccccn1N=Cc1cc(Cl)c(O)cc1Cl ZINC000776787462 628178312 /nfs/dbraw/zinc/17/83/12/628178312.db2.gz VLJYIKSOGNOFOW-UHFFFAOYSA-N 0 1 283.114 2.743 20 30 CFEDMN C#CCN(CCO[C@@H]1CC1(F)F)Cc1ccccc1 ZINC000852045377 634635676 /nfs/dbraw/zinc/63/56/76/634635676.db2.gz LKLINFAGXBBREE-CQSZACIVSA-N 0 1 265.303 2.546 20 30 CFEDMN C=CC[N@H+](Cc1cc(=O)oc2cc([O-])ccc12)C(C)C ZINC000777559103 628236480 /nfs/dbraw/zinc/23/64/80/628236480.db2.gz RFWQDACFCXMNCD-UHFFFAOYSA-N 0 1 273.332 2.895 20 30 CFEDMN C=CC[N@@H+](Cc1cc(=O)oc2cc([O-])ccc12)C(C)C ZINC000777559103 628236482 /nfs/dbraw/zinc/23/64/82/628236482.db2.gz RFWQDACFCXMNCD-UHFFFAOYSA-N 0 1 273.332 2.895 20 30 CFEDMN CCC#C[C@H](C)[N@H+]1CC[C@@](O)(c2ccc(F)cc2)C1 ZINC000777737266 628250368 /nfs/dbraw/zinc/25/03/68/628250368.db2.gz VSOSGQZCMHDBAB-BBRMVZONSA-N 0 1 261.340 2.521 20 30 CFEDMN Cc1ccc(F)cc1C=NNCCN1CCCCC1 ZINC000777883200 628261098 /nfs/dbraw/zinc/26/10/98/628261098.db2.gz SZLDCFAPBSKWPR-UHFFFAOYSA-N 0 1 263.360 2.544 20 30 CFEDMN CC(=NNc1cc(Cl)ccn1)c1cnc(C)nc1C ZINC000777906241 628263976 /nfs/dbraw/zinc/26/39/76/628263976.db2.gz VIKPFNVKHWHBNP-UHFFFAOYSA-N 0 1 275.743 2.978 20 30 CFEDMN C#CCOc1cccc(Cl)c1CN[C@H]1C[C@H](O)C1(C)C ZINC000778192573 628285430 /nfs/dbraw/zinc/28/54/30/628285430.db2.gz BQYBBUPCWWDSCW-GJZGRUSLSA-N 0 1 293.794 2.601 20 30 CFEDMN CCCCCCCCN1CC[C@@H](OC)C[C@@H]1C(=O)OC ZINC000778232191 628290659 /nfs/dbraw/zinc/29/06/59/628290659.db2.gz GJHLGADZTCWIJR-HUUCEWRRSA-N 0 1 285.428 2.999 20 30 CFEDMN C#C[C@](C)(CC)N[C@H](C)C(=O)N(CC)c1ccccc1 ZINC000852097117 634650865 /nfs/dbraw/zinc/65/08/65/634650865.db2.gz LTKGBSMDQVCYDM-RHSMWYFYSA-N 0 1 272.392 2.820 20 30 CFEDMN C#CCN1CCC[C@@H]1COC(=O)[C@H](CC=C)c1ccccc1 ZINC000778633605 628321559 /nfs/dbraw/zinc/32/15/59/628321559.db2.gz GYKWYOWKTLEKNT-QZTJIDSGSA-N 0 1 297.398 2.987 20 30 CFEDMN C#CC[C@@H](OC(=O)[C@H](CC)N(CC)CC)C(C)C ZINC000778663016 628323229 /nfs/dbraw/zinc/32/32/29/628323229.db2.gz GTBPWNAZXSENCH-UONOGXRCSA-N 0 1 253.386 2.698 20 30 CFEDMN C#Cc1cccc(N(CC)C(=O)c2ncc(C)cc2O)c1 ZINC000778706758 628326289 /nfs/dbraw/zinc/32/62/89/628326289.db2.gz FHKYZBUYIAOSPQ-UHFFFAOYSA-N 0 1 280.327 2.744 20 30 CFEDMN C#CCOc1cccc(Cl)c1CN1CCC[C@](C)(O)C1 ZINC000779158355 628357320 /nfs/dbraw/zinc/35/73/20/628357320.db2.gz OOUIUSBEPPRUKD-INIZCTEOSA-N 0 1 293.794 2.699 20 30 CFEDMN CCc1ccc(NC(=O)C(C#N)C(=O)c2ocnc2C)cc1 ZINC000779456002 628383687 /nfs/dbraw/zinc/38/36/87/628383687.db2.gz BBJFPNIVIMNHLV-ZDUSSCGKSA-N 0 1 297.314 2.507 20 30 CFEDMN CCC(=NNC1=NC[C@H](C)N1)c1c(F)cccc1Cl ZINC000779791776 628406547 /nfs/dbraw/zinc/40/65/47/628406547.db2.gz GAISDYHGFYEZLY-QMMMGPOBSA-N 0 1 282.750 2.531 20 30 CFEDMN C[C@H]1CN=C(NN=C2CCCc3c4ccccc4sc32)N1 ZINC000779801682 628407844 /nfs/dbraw/zinc/40/78/44/628407844.db2.gz WMEFFXAZUVEMDH-JTQLQIEISA-N 0 1 298.415 2.879 20 30 CFEDMN COc1cccc(NN=C(C)c2ccc([N+](=O)[O-])cc2)n1 ZINC000779818867 628410895 /nfs/dbraw/zinc/41/08/95/628410895.db2.gz XOJTUAAMCCUHFS-UHFFFAOYSA-N 0 1 286.291 2.835 20 30 CFEDMN COc1cccc(N=NCc2c(O)cccc2Cl)n1 ZINC000779819426 628411274 /nfs/dbraw/zinc/41/12/74/628411274.db2.gz QBNBCYCYQHMPBP-UHFFFAOYSA-N 0 1 277.711 2.895 20 30 CFEDMN COc1cccc(NN=Cc2ccc(OC)c(OC)c2)n1 ZINC000779820006 628411346 /nfs/dbraw/zinc/41/13/46/628411346.db2.gz AGGGWZOCMAMWNB-UHFFFAOYSA-N 0 1 287.319 2.553 20 30 CFEDMN C#C[C@](C)(CC)NCC(=O)Nc1cc(Cl)ccc1OC ZINC000852099923 634653893 /nfs/dbraw/zinc/65/38/93/634653893.db2.gz RSIQIVRTVSQXJW-OAHLLOKOSA-N 0 1 294.782 2.679 20 30 CFEDMN C#C[C@@](C)(CC)NCC(=O)Nc1nc2ccccc2s1 ZINC000852100505 634655844 /nfs/dbraw/zinc/65/58/44/634655844.db2.gz HMTKXSHPUZKECH-HNNXBMFYSA-N 0 1 287.388 2.626 20 30 CFEDMN COc1ccc(NN=Cc2cc(C)ccc2OC)nc1 ZINC000780268076 628448626 /nfs/dbraw/zinc/44/86/26/628448626.db2.gz QNJIZAQNZCHJQS-UHFFFAOYSA-N 0 1 271.320 2.853 20 30 CFEDMN COc1ccc(N=NCc2cc(F)ccc2C)nc1 ZINC000780270154 628448786 /nfs/dbraw/zinc/44/87/86/628448786.db2.gz CVOYASQQOMPMEW-UHFFFAOYSA-N 0 1 259.284 2.984 20 30 CFEDMN COc1ccc(NN=Cc2cc(-c3ccccc3)[nH]n2)nc1 ZINC000780268099 628448833 /nfs/dbraw/zinc/44/88/33/628448833.db2.gz FIIGMWBOAFRWCM-UHFFFAOYSA-N 0 1 293.330 2.926 20 30 CFEDMN CN(C)c1ccc(C=[NH+][N-]c2ncncc2Cl)cc1F ZINC000780274601 628449100 /nfs/dbraw/zinc/44/91/00/628449100.db2.gz BPZZCWZAAGIBDV-UHFFFAOYSA-N 0 1 293.733 2.781 20 30 CFEDMN COc1ccc(NN=C(C)c2ccc(O)c(F)c2)nc1 ZINC000780275352 628449646 /nfs/dbraw/zinc/44/96/46/628449646.db2.gz UUZSDZTXMQJSQB-UHFFFAOYSA-N 0 1 275.283 2.771 20 30 CFEDMN N#Cc1ccc(CNCc2cccc(Cl)c2)nc1 ZINC000780555758 628476120 /nfs/dbraw/zinc/47/61/20/628476120.db2.gz RSIMSGQRNIKNDO-UHFFFAOYSA-N 0 1 257.724 2.896 20 30 CFEDMN CCOCOc1ccc(CNCc2ccc(C#N)cn2)cc1 ZINC000780556068 628476189 /nfs/dbraw/zinc/47/61/89/628476189.db2.gz MAIMSOCPIJNCDX-UHFFFAOYSA-N 0 1 297.358 2.616 20 30 CFEDMN C[C@H](NC[C@H](O)c1ccco1)c1ccc(C#N)cc1F ZINC000781422391 628547677 /nfs/dbraw/zinc/54/76/77/628547677.db2.gz XRSZEQWNXWXSJT-HZMBPMFUSA-N 0 1 274.295 2.675 20 30 CFEDMN N#CCC1CCN(Cn2nccc2-c2ccncc2)CC1 ZINC000781573026 628561025 /nfs/dbraw/zinc/56/10/25/628561025.db2.gz ZJVYKTVEJCKMHA-UHFFFAOYSA-N 0 1 281.363 2.528 20 30 CFEDMN C=CC[C@@H]1CCCC[C@H]1NC(=O)NCc1cc(CC)[nH]n1 ZINC000852129932 634666307 /nfs/dbraw/zinc/66/63/07/634666307.db2.gz GDTQZVDQOCDFNT-IUODEOHRSA-N 0 1 290.411 2.906 20 30 CFEDMN CC1(C)CC[C@H](C(=O)C(C#N)C(=O)Nc2ccccn2)C1 ZINC000781773845 628580035 /nfs/dbraw/zinc/58/00/35/628580035.db2.gz VLZKQHHQFJLQBQ-RYUDHWBXSA-N 0 1 285.347 2.555 20 30 CFEDMN C#CCCN1CCN(C(=O)OC(C)(C)C)[C@@H](C(C)C)C1 ZINC000781987908 628595486 /nfs/dbraw/zinc/59/54/86/628595486.db2.gz AWXKTNXHRHFORA-CQSZACIVSA-N 0 1 280.412 2.587 20 30 CFEDMN CCOc1ccc(C=NNCCN2CCCCC2)cc1F ZINC000782202870 628614355 /nfs/dbraw/zinc/61/43/55/628614355.db2.gz LETBVOMNJASLSI-UHFFFAOYSA-N 0 1 293.386 2.634 20 30 CFEDMN COc1cc(C(C)N=Nc2ccc(C)cn2)ccn1 ZINC000782220901 628616278 /nfs/dbraw/zinc/61/62/78/628616278.db2.gz GUFDESCYYRZPKB-UHFFFAOYSA-N 0 1 256.309 2.630 20 30 CFEDMN Fc1ccc(N=NC2COCc3ccccc32)nc1 ZINC000782231974 628617833 /nfs/dbraw/zinc/61/78/33/628617833.db2.gz ZFWLBODYZWYLKY-UHFFFAOYSA-N 0 1 257.268 2.567 20 30 CFEDMN C[C@@H](NCC1(C#N)CC1)c1ccc(-n2ccnc2)cc1 ZINC000782967833 628666957 /nfs/dbraw/zinc/66/69/57/628666957.db2.gz CCEAXVHQQHSEOA-CYBMUJFWSA-N 0 1 266.348 2.827 20 30 CFEDMN CCC[C@H](NCc1ccc(C#N)cn1)c1cccnc1 ZINC000783294853 628698350 /nfs/dbraw/zinc/69/83/50/628698350.db2.gz XEVOQSHLEKUSAJ-INIZCTEOSA-N 0 1 266.348 2.979 20 30 CFEDMN C[C@H](NCc1ccc(C#N)cn1)c1cc(F)ccc1O ZINC000783299520 628698761 /nfs/dbraw/zinc/69/87/61/628698761.db2.gz DHBHFICISBRVDA-JTQLQIEISA-N 0 1 271.295 2.649 20 30 CFEDMN N#Cc1cc(F)ccc1CN(C1CC1)C1(CO)CCC1 ZINC000852158050 634675747 /nfs/dbraw/zinc/67/57/47/634675747.db2.gz AGCBADFFTQKGFD-UHFFFAOYSA-N 0 1 274.339 2.577 20 30 CFEDMN O=C1CCC(=NNc2ccccn2)c2ccccc2N1 ZINC000783805902 628747100 /nfs/dbraw/zinc/74/71/00/628747100.db2.gz YZFXDEWOCNKETD-UHFFFAOYSA-N 0 1 266.304 2.630 20 30 CFEDMN COc1cccc(NN=C2CCC(=O)Nc3ccccc32)n1 ZINC000783865580 628751294 /nfs/dbraw/zinc/75/12/94/628751294.db2.gz BUZXTAYOWMLOEC-UHFFFAOYSA-N 0 1 296.330 2.639 20 30 CFEDMN C=CCCN(OCc1ccccc1)C(=O)CN(C)CCC ZINC000783873143 628752559 /nfs/dbraw/zinc/75/25/59/628752559.db2.gz JBDBXBJSHZHGDN-UHFFFAOYSA-N 0 1 290.407 2.865 20 30 CFEDMN C[C@@H]1CC[C@@H](C)N1CC(=O)OCc1ccc(C#N)c(F)c1 ZINC000785740638 628909874 /nfs/dbraw/zinc/90/98/74/628909874.db2.gz IVNGFEQLHVVLGC-VXGBXAGGSA-N 0 1 290.338 2.613 20 30 CFEDMN Cc1cc(C#N)ccc1COC(=O)CN1[C@H](C)CC[C@@H]1C ZINC000785745202 628910674 /nfs/dbraw/zinc/91/06/74/628910674.db2.gz ZGOCZPKATCSGSO-OKILXGFUSA-N 0 1 286.375 2.783 20 30 CFEDMN O=C(C#Cc1ccccc1)Nc1nc2ccc(F)cc2[nH]1 ZINC000785875078 628918520 /nfs/dbraw/zinc/91/85/20/628918520.db2.gz DDFSPHVZPQFGFU-UHFFFAOYSA-N 0 1 279.274 2.692 20 30 CFEDMN N#C[C@H](C(=O)[C@H]1CCCN1c1ccccc1)c1ccccn1 ZINC000786299052 628947134 /nfs/dbraw/zinc/94/71/34/628947134.db2.gz NBSPHTBJJCECFL-DOTOQJQBSA-N 0 1 291.354 2.927 20 30 CFEDMN CCCCCCCCN1CCOC[C@@H]1CC(=O)OC ZINC000805818933 628977432 /nfs/dbraw/zinc/97/74/32/628977432.db2.gz LOZOHEGPHSYRAM-AWEZNQCLSA-N 0 1 271.401 2.611 20 30 CFEDMN C=CCC[C@@H](C)OC(=O)[C@@H](NC(=O)C(F)(F)F)C(C)C ZINC000786775960 628979022 /nfs/dbraw/zinc/97/90/22/628979022.db2.gz DTQUEBKJYJNUTK-ZJUUUORDSA-N 0 1 295.301 2.587 20 30 CFEDMN CC[C@H](NC(=O)C(C#N)C(=O)[C@@H]1C[C@H]1C)c1ccccc1 ZINC000787033397 628989496 /nfs/dbraw/zinc/98/94/96/628989496.db2.gz UZZIZHHXHBVMMQ-RZFFKMDDSA-N 0 1 284.359 2.619 20 30 CFEDMN C=CCCN(C)CN1C[C@@H](CC(C)(C)C)CC1=O ZINC000787236304 629001153 /nfs/dbraw/zinc/00/11/53/629001153.db2.gz QTDAKNSSDZGSCS-CYBMUJFWSA-N 0 1 252.402 2.737 20 30 CFEDMN C#Cc1ccc(CN[C@@H](C)C(=O)Nc2ccccc2)cc1 ZINC000787772351 629033966 /nfs/dbraw/zinc/03/39/66/629033966.db2.gz KGIOZNLUKYIHMZ-AWEZNQCLSA-N 0 1 278.355 2.785 20 30 CFEDMN CC(=NNc1cnnc2ccccc21)c1cc(C)nn1C ZINC000789018506 629117893 /nfs/dbraw/zinc/11/78/93/629117893.db2.gz WMFIBROVSDXCEN-UHFFFAOYSA-N 0 1 280.335 2.508 20 30 CFEDMN CN(CCC(C)(C)C#N)[C@@H]1CCN(Cc2ccccc2)C1=O ZINC000789527653 629163713 /nfs/dbraw/zinc/16/37/13/629163713.db2.gz CTJXKHBJCGEULQ-MRXNPFEDSA-N 0 1 299.418 2.659 20 30 CFEDMN Cc1cccnc1N=NCc1c[nH]nc1C(C)(C)C ZINC000790184905 629217037 /nfs/dbraw/zinc/21/70/37/629217037.db2.gz CTCBWFUQERRXAJ-UHFFFAOYSA-N 0 1 257.341 2.857 20 30 CFEDMN CC[C@@H](C)NN=C(C)c1ccc(N2CCOCC2)c(F)c1 ZINC000790188744 629217625 /nfs/dbraw/zinc/21/76/25/629217625.db2.gz LETJIQYRPQDLQI-GFCCVEGCSA-N 0 1 293.386 2.774 20 30 CFEDMN Cc1cccnc1N=NCc1cccc2c1OCCCO2 ZINC000790193031 629218530 /nfs/dbraw/zinc/21/85/30/629218530.db2.gz PIWJJEBUMCUKDD-UHFFFAOYSA-N 0 1 283.331 2.997 20 30 CFEDMN COc1cc(CN=Nc2ncccc2C)cc(OC)c1 ZINC000790193333 629218942 /nfs/dbraw/zinc/21/89/42/629218942.db2.gz CTGUAPLROGGIFO-UHFFFAOYSA-N 0 1 271.320 2.853 20 30 CFEDMN CC(=N[N-]c1[nH+]ccn1C)c1ccccc1OC(F)F ZINC000790300716 629227682 /nfs/dbraw/zinc/22/76/82/629227682.db2.gz ZOTAORCAZHGNEN-UHFFFAOYSA-N 0 1 280.278 2.858 20 30 CFEDMN CC(=NNc1nccn1C)c1ccccc1OC(F)F ZINC000790300716 629227685 /nfs/dbraw/zinc/22/76/85/629227685.db2.gz ZOTAORCAZHGNEN-UHFFFAOYSA-N 0 1 280.278 2.858 20 30 CFEDMN Cc1cc(Br)ccc1CN=Nc1nccn1C ZINC000790300314 629227713 /nfs/dbraw/zinc/22/77/13/629227713.db2.gz ROPJPBCYFONAFQ-UHFFFAOYSA-N 0 1 293.168 2.937 20 30 CFEDMN CC(=[NH+][N-]c1cccc(F)c1[N+](=O)[O-])c1csc(N)n1 ZINC000790306485 629229762 /nfs/dbraw/zinc/22/97/62/629229762.db2.gz JYDROJPUEDWKNR-UHFFFAOYSA-N 0 1 295.299 2.609 20 30 CFEDMN C[C@@H]1C[C@H](CN2CCC[C@](C#N)(c3ccccn3)C2)CCO1 ZINC000852331519 634723841 /nfs/dbraw/zinc/72/38/41/634723841.db2.gz AHZFWOXJDJXETC-JFIYKMOQSA-N 0 1 299.418 2.754 20 30 CFEDMN CC(C)[C@@H](C(=O)OCC#Cc1ccccc1)N1CCCC1 ZINC000791391661 629308211 /nfs/dbraw/zinc/30/82/11/629308211.db2.gz NDDNVPTWPCCFQW-KRWDZBQOSA-N 0 1 285.387 2.702 20 30 CFEDMN C#C[C@H](NCc1cccc(C(F)F)c1)[C@H]1CCCO1 ZINC000791493907 629320990 /nfs/dbraw/zinc/32/09/90/629320990.db2.gz OLIPMZGBWZHFCQ-UONOGXRCSA-N 0 1 265.303 2.895 20 30 CFEDMN N#CC(C(=O)Nc1ccc(Cl)cc1)C(=O)[C@H]1CC1(F)F ZINC000835060142 629363838 /nfs/dbraw/zinc/36/38/38/629363838.db2.gz JLLVMPFIKJOSTD-VHSXEESVSA-N 0 1 298.676 2.643 20 30 CFEDMN N#C[C@@H](C(=O)CC1CC(F)(F)C1)C(=O)NC1CCCCC1 ZINC000835061804 629363923 /nfs/dbraw/zinc/36/39/23/629363923.db2.gz OWGWYUXBVKMCFN-LBPRGKRZSA-N 0 1 298.333 2.580 20 30 CFEDMN CC[C@@H]1CCC[C@H]1C(=O)C(C#N)C(=O)NCc1ccccc1 ZINC000835061267 629364000 /nfs/dbraw/zinc/36/40/00/629364000.db2.gz KGFWDQSHMQDSRU-OAGGEKHMSA-N 0 1 298.386 2.838 20 30 CFEDMN CC(C)CCCC(=O)C(C#N)C(=O)NC1CCCC1 ZINC000835075286 629370442 /nfs/dbraw/zinc/37/04/42/629370442.db2.gz WWFHSCQEBJPZNB-CYBMUJFWSA-N 0 1 264.369 2.580 20 30 CFEDMN C[C@@H]1CC[C@H](C(=O)C(C#N)C(=O)NC2CCCC2)C[C@@H]1C ZINC000835074041 629371467 /nfs/dbraw/zinc/37/14/67/629371467.db2.gz QYWLRWHMQAKFAU-OSFYFWSMSA-N 0 1 290.407 2.826 20 30 CFEDMN N#CC(C(=O)C[C@@H]1CC[C@H]2C[C@H]21)c1nnc2n1CCCCC2 ZINC000835076515 629374034 /nfs/dbraw/zinc/37/40/34/629374034.db2.gz RCIHEAOFLVGRGH-IGQOVBAYSA-N 0 1 298.390 2.617 20 30 CFEDMN C=CCN(Cc1ccc(Cl)nc1)[C@H](C)COC ZINC000852356951 634731284 /nfs/dbraw/zinc/73/12/84/634731284.db2.gz SMYNGBIACZGPPP-LLVKDONJSA-N 0 1 254.761 2.758 20 30 CFEDMN C=CCN(Cc1ccc([N+](=O)[O-])c(F)c1)[C@H](C)COC ZINC000852356964 634732368 /nfs/dbraw/zinc/73/23/68/634732368.db2.gz TUJMFKFVLSYXMN-LLVKDONJSA-N 0 1 282.315 2.757 20 30 CFEDMN N#C[C@@H](C(=O)CCC1CC1)c1cnc2ccccc2n1 ZINC000792110205 629398336 /nfs/dbraw/zinc/39/83/36/629398336.db2.gz KYGVZKVZQXYLHH-GFCCVEGCSA-N 0 1 265.316 2.996 20 30 CFEDMN CCO[C@H](CC)C(=O)C(C#N)c1cnc2ccccc2n1 ZINC000792111162 629398822 /nfs/dbraw/zinc/39/88/22/629398822.db2.gz XPSQOCJPHHFDEV-IAQYHMDHSA-N 0 1 283.331 2.621 20 30 CFEDMN Cc1nc2c(cccc2C(=O)Nc2cc(C#N)ccc2O)o1 ZINC000792275141 629416215 /nfs/dbraw/zinc/41/62/15/629416215.db2.gz DAWZCZYNTAHFET-UHFFFAOYSA-N 0 1 293.282 2.966 20 30 CFEDMN C#CCCN1CCC[C@@]1(Cc1ccccc1)C(=O)OCC ZINC000792336182 629421085 /nfs/dbraw/zinc/42/10/85/629421085.db2.gz PRVUDVBLGUXGNJ-GOSISDBHSA-N 0 1 285.387 2.650 20 30 CFEDMN C#CCN1CCC[C@@H]1COC(=O)c1cccc(SC)c1 ZINC000835139718 629456397 /nfs/dbraw/zinc/45/63/97/629456397.db2.gz LIOFDBCWDBXOGE-CQSZACIVSA-N 0 1 289.400 2.663 20 30 CFEDMN C#CCN1CCC[C@H]1COC(=O)C1(C2CCC2)CCC1 ZINC000835143755 629458891 /nfs/dbraw/zinc/45/88/91/629458891.db2.gz VTTHCRHDZCNHRV-HNNXBMFYSA-N 0 1 275.392 2.598 20 30 CFEDMN C(=NNCCN1CCCCC1)c1ccc2c(c1)CCCC2 ZINC000792977000 629472561 /nfs/dbraw/zinc/47/25/61/629472561.db2.gz HCOAWHSUCNZHKH-UHFFFAOYSA-N 0 1 285.435 2.975 20 30 CFEDMN C(=NNC1=N[C@@H]2CCCC[C@@H]2N1)c1ccc2c(c1)CCCC2 ZINC000793033574 629477902 /nfs/dbraw/zinc/47/79/02/629477902.db2.gz DAPDLFKUSIUSCA-CALCHBBNSA-N 0 1 296.418 2.759 20 30 CFEDMN CC(=NNc1ncccc1C)c1ccc(C(=O)N(C)C)cc1 ZINC000793052210 629480170 /nfs/dbraw/zinc/48/01/70/629480170.db2.gz UCIQUJMSWHGRGU-UHFFFAOYSA-N 0 1 296.374 2.928 20 30 CFEDMN C=CC[C@H]1CCC[N@@H+](CC(=O)[N-]OCc2ccccc2)C1 ZINC000852408926 634740062 /nfs/dbraw/zinc/74/00/62/634740062.db2.gz CUYUAUGJLZHFSA-HNNXBMFYSA-N 0 1 288.391 2.523 20 30 CFEDMN COC(=O)c1coc(CN=Nc2cccc(Cl)n2)c1 ZINC000793174095 629498563 /nfs/dbraw/zinc/49/85/63/629498563.db2.gz IRIGUSTVENAEDF-UHFFFAOYSA-N 0 1 279.683 2.561 20 30 CFEDMN C#CCCCCCOC(=O)c1ccc(-c2nnc[nH]2)cc1 ZINC000793188998 629502021 /nfs/dbraw/zinc/50/20/21/629502021.db2.gz GEKBTICAHFZNNU-UHFFFAOYSA-N 0 1 283.331 2.822 20 30 CFEDMN CC[C@H]1[C@H](C)CCN1Cn1cc2c(c(C#N)c1=O)CCCC2 ZINC000793515698 629559481 /nfs/dbraw/zinc/55/94/81/629559481.db2.gz KPNUHGZPSIMDJK-DYVFJYSZSA-N 0 1 299.418 2.677 20 30 CFEDMN C=CCC1(C(=O)OC[C@H]2CN(C(C)C)CCO2)CCCC1 ZINC000835297715 629604931 /nfs/dbraw/zinc/60/49/31/629604931.db2.gz NUNRQMDRIGNFIB-OAHLLOKOSA-N 0 1 295.423 2.775 20 30 CFEDMN CCc1cccc(F)c1C=NNC1=N[C@@H]2CCCC[C@@H]2N1 ZINC000794523085 629653806 /nfs/dbraw/zinc/65/38/06/629653806.db2.gz DBFXHEWLLXDDML-GASCZTMLSA-N 0 1 288.370 2.582 20 30 CFEDMN CCc1cccc(F)c1C=NNc1cc(Cl)nc(N)n1 ZINC000794526439 629654645 /nfs/dbraw/zinc/65/46/45/629654645.db2.gz MPDKUGSDBNOZKQ-UHFFFAOYSA-N 0 1 293.733 2.860 20 30 CFEDMN CCN(CC)c1ccc(C=NOCCSC)c(O)c1 ZINC000794573458 629662671 /nfs/dbraw/zinc/66/26/71/629662671.db2.gz CSZQEXMNIQPKRV-UHFFFAOYSA-N 0 1 282.409 2.952 20 30 CFEDMN CSCCON=C1CN(Cc2ccccc2)C[C@H]1C ZINC000794574844 629663388 /nfs/dbraw/zinc/66/33/88/629663388.db2.gz SJVRXIPLJNLQAH-CYBMUJFWSA-N 0 1 278.421 2.874 20 30 CFEDMN CC(=NNc1ccccc1[N+](=O)[O-])c1ccnc(F)c1 ZINC000794855556 629695333 /nfs/dbraw/zinc/69/53/33/629695333.db2.gz UUJMNMHQKSNMOB-UHFFFAOYSA-N 0 1 274.255 2.965 20 30 CFEDMN Cc1cc(=O)[nH]c(N=NC=CCc2ccc(F)c(F)c2)n1 ZINC000794857343 629696055 /nfs/dbraw/zinc/69/60/55/629696055.db2.gz SUSDUJWRBXYEGD-BASDRIDLSA-N 0 1 290.273 2.880 20 30 CFEDMN COCc1cc(C=NNc2c(F)cccc2F)no1 ZINC000794909092 629702815 /nfs/dbraw/zinc/70/28/15/629702815.db2.gz QJWILSAYXUKURY-UHFFFAOYSA-N 0 1 267.235 2.545 20 30 CFEDMN C[C@H]1COC(=O)C1N=Nc1c(Cl)cccc1Cl ZINC000794918666 629704143 /nfs/dbraw/zinc/70/41/43/629704143.db2.gz WOYUHFTVVYUVEQ-LURJTMIESA-N 0 1 273.119 2.954 20 30 CFEDMN CC(=NNc1cc(C#N)cc(Cl)n1)c1ccnc(F)c1 ZINC000794921538 629704387 /nfs/dbraw/zinc/70/43/87/629704387.db2.gz CQRNVAOSGKJYQT-UHFFFAOYSA-N 0 1 289.701 2.977 20 30 CFEDMN CC(C)n1nccc1/C=C/C(=O)c1ccc(O)cc1O ZINC000794941762 629707528 /nfs/dbraw/zinc/70/75/28/629707528.db2.gz XJARONLFWNNEPW-ZZXKWVIFSA-N 0 1 272.304 2.771 20 30 CFEDMN CCN(CC)c1ccc(C=NN(C)CCOC)cc1F ZINC000794975201 629713635 /nfs/dbraw/zinc/71/36/35/629713635.db2.gz UDENBCQILXGYBH-UHFFFAOYSA-N 0 1 281.375 2.584 20 30 CFEDMN C(=NNc1cncnc1)c1ccc(OCC2CC2)cc1 ZINC000794976268 629714340 /nfs/dbraw/zinc/71/43/40/629714340.db2.gz IJARDSRFVUGFHK-UHFFFAOYSA-N 0 1 268.320 2.711 20 30 CFEDMN FC(F)(F)Oc1ccccc1C=NNc1cncnc1 ZINC000794978877 629714867 /nfs/dbraw/zinc/71/48/67/629714867.db2.gz OUCLOYZLOTUPEH-UHFFFAOYSA-N 0 1 282.225 2.821 20 30 CFEDMN Fc1cccc(N=NCc2ccc(Cl)nc2)n1 ZINC000795006430 629722933 /nfs/dbraw/zinc/72/29/33/629722933.db2.gz HYWSAKQYYTZAEZ-UHFFFAOYSA-N 0 1 250.664 2.715 20 30 CFEDMN COc1ccc(C=NNc2cccc(F)n2)cc1F ZINC000795009021 629723508 /nfs/dbraw/zinc/72/35/08/629723508.db2.gz XAOKFVSPAHEAGP-UHFFFAOYSA-N 0 1 263.247 2.814 20 30 CFEDMN N#CC(C(=O)NCc1ccccc1)C(=O)C1CCCCCC1 ZINC000102118949 629755995 /nfs/dbraw/zinc/75/59/95/629755995.db2.gz NRAWPJPHACXPAA-INIZCTEOSA-N 0 1 298.386 2.982 20 30 CFEDMN C=CCOCCCOC(=O)[C@@H](C(C)C)N1CCCCC1 ZINC000795521575 629792315 /nfs/dbraw/zinc/79/23/15/629792315.db2.gz LNNRQCBJPAIYPP-OAHLLOKOSA-N 0 1 283.412 2.633 20 30 CFEDMN COc1ccc([C@@H]2CCCN2CCO[C@@H](C)C#N)cc1F ZINC000852521385 634769961 /nfs/dbraw/zinc/76/99/61/634769961.db2.gz OKPVMXQPUHFGIY-WFASDCNBSA-N 0 1 292.354 2.900 20 30 CFEDMN CCCCCCNC(=O)C(C#N)C(=O)C1CC(C)(C)C1 ZINC000796776834 629964615 /nfs/dbraw/zinc/96/46/15/629964615.db2.gz FKIBGXWNQFDKOC-CYBMUJFWSA-N 0 1 278.396 2.828 20 30 CFEDMN CC[C@H](C)CCC(=O)C(C#N)C(=O)Nc1ccccn1 ZINC000796816849 629971568 /nfs/dbraw/zinc/97/15/68/629971568.db2.gz LAPONSPJWZIVCM-RYUDHWBXSA-N 0 1 273.336 2.555 20 30 CFEDMN C=C(Cl)CN[C@H](C)c1ccccc1-n1ccnn1 ZINC000796815729 629971846 /nfs/dbraw/zinc/97/18/46/629971846.db2.gz FILFOZXDAUAYJI-LLVKDONJSA-N 0 1 262.744 2.670 20 30 CFEDMN C=CCOc1ccc(COC(=O)[C@@H](C(C)C)N(C)C)cc1 ZINC000798853691 630246751 /nfs/dbraw/zinc/24/67/51/630246751.db2.gz GAXSNXPQYHJBQE-MRXNPFEDSA-N 0 1 291.391 2.881 20 30 CFEDMN C=C[C@H](OC(=O)CCCCc1cn[nH]n1)C(C)(C)C ZINC000798903255 630257316 /nfs/dbraw/zinc/25/73/16/630257316.db2.gz UZHOEJWPHAFKLQ-LBPRGKRZSA-N 0 1 265.357 2.661 20 30 CFEDMN C#C[C@@H](NC(=O)[C@@H]1CCCCN1Cc1ccccc1)C(C)C ZINC000799046303 630269888 /nfs/dbraw/zinc/26/98/88/630269888.db2.gz HMHYUWMZQAFSIG-MSOLQXFVSA-N 0 1 298.430 2.815 20 30 CFEDMN COc1ccccc1CON=C1C[N@H+](C2CC2)C[C@H]1C ZINC000799116698 630277192 /nfs/dbraw/zinc/27/71/92/630277192.db2.gz AAKVJLXCPPZIAQ-GFCCVEGCSA-N 0 1 274.364 2.682 20 30 CFEDMN COc1ccccc1CON=C1CN(C2CC2)C[C@H]1C ZINC000799116698 630277196 /nfs/dbraw/zinc/27/71/96/630277196.db2.gz AAKVJLXCPPZIAQ-GFCCVEGCSA-N 0 1 274.364 2.682 20 30 CFEDMN C#CC[C@H](NCc1cnc(OC)nc1C)c1ccccc1 ZINC000799153641 630280144 /nfs/dbraw/zinc/28/01/44/630280144.db2.gz DKOLUJVZNARNJU-INIZCTEOSA-N 0 1 281.359 2.648 20 30 CFEDMN CCCCC(N)=NOCCCC1(C#N)CCOCC1 ZINC000799175062 630283501 /nfs/dbraw/zinc/28/35/01/630283501.db2.gz RXGVNMDYFQYGJX-UHFFFAOYSA-N 0 1 267.373 2.776 20 30 CFEDMN CCCCO[C@@H](C)C(=O)C(C#N)c1nc(C)cs1 ZINC000103635491 630291541 /nfs/dbraw/zinc/29/15/41/630291541.db2.gz PXCVXGFTBNCDDQ-WDEREUQCSA-N 0 1 266.366 2.833 20 30 CFEDMN CC[C@H](O)CN1CCC[C@H]1[C@@H](C#N)c1ccccc1 ZINC000799303098 630294927 /nfs/dbraw/zinc/29/49/27/630294927.db2.gz BEGOSZGAZVWFRQ-JYJNAYRXSA-N 0 1 258.365 2.529 20 30 CFEDMN CC(C)(C)CCCC(=O)C(C#N)C(=O)N1CCCC1 ZINC000103637469 630296597 /nfs/dbraw/zinc/29/65/97/630296597.db2.gz QNBGWYJAODSYHN-GFCCVEGCSA-N 0 1 264.369 2.534 20 30 CFEDMN N#CCC[C@@H](NC[C@@H](O)c1ccc(F)cn1)c1ccccc1 ZINC000799316637 630296614 /nfs/dbraw/zinc/29/66/14/630296614.db2.gz VAKBJYFXYQDLLR-NVXWUHKLSA-N 0 1 299.349 2.889 20 30 CFEDMN Cc1cccnc1NN=Cc1cc(C(F)(F)F)[nH]n1 ZINC000799485953 630313913 /nfs/dbraw/zinc/31/39/13/630313913.db2.gz QKUIFHHYDWFKGC-UHFFFAOYSA-N 0 1 269.230 2.578 20 30 CFEDMN Cc1ccc[nH+]c1[N-]N=Cc1cc(C(F)(F)F)[nH]n1 ZINC000799485953 630313915 /nfs/dbraw/zinc/31/39/15/630313915.db2.gz QKUIFHHYDWFKGC-UHFFFAOYSA-N 0 1 269.230 2.578 20 30 CFEDMN Cc1ccc(C(=O)N2CCN(C3CCCC3)CC2)cc1C#N ZINC000799550624 630320512 /nfs/dbraw/zinc/32/05/12/630320512.db2.gz UBZDPVDCHVPJPJ-UHFFFAOYSA-N 0 1 297.402 2.567 20 30 CFEDMN COc1cc(C[N@H+]2CC[C@@H](c3ccccn3)C2)ccc1C#N ZINC000799734950 630341559 /nfs/dbraw/zinc/34/15/59/630341559.db2.gz HERZSOYZILNKGZ-MRXNPFEDSA-N 0 1 293.370 2.951 20 30 CFEDMN CC(=NNc1cnnc2ccccc21)c1cc(C)n(C)n1 ZINC000799880206 630350727 /nfs/dbraw/zinc/35/07/27/630350727.db2.gz HFSLULWBVFFHSH-UHFFFAOYSA-N 0 1 280.335 2.508 20 30 CFEDMN CCCC[C@H](C)C(=O)C(C#N)C(=O)Nc1ccccn1 ZINC000800385787 630376521 /nfs/dbraw/zinc/37/65/21/630376521.db2.gz BTMYGWZXHZNQKW-NWDGAFQWSA-N 0 1 273.336 2.555 20 30 CFEDMN CCc1oc(CN=Nc2ccc(F)cn2)cc1C(=O)OC ZINC000800812436 630407018 /nfs/dbraw/zinc/40/70/18/630407018.db2.gz DRJMAKOOMJJWQP-UHFFFAOYSA-N 0 1 291.282 2.609 20 30 CFEDMN COc1ccc(Cl)cc1CN(C)CCO[C@H](C)C#N ZINC000801910192 630484910 /nfs/dbraw/zinc/48/49/10/630484910.db2.gz NOFLLLGGJHMJQB-LLVKDONJSA-N 0 1 282.771 2.709 20 30 CFEDMN C[C@@H](NCCO[C@@H](C)C#N)c1nc2ccccc2s1 ZINC000801941849 630492794 /nfs/dbraw/zinc/49/27/94/630492794.db2.gz ZHXFVYATMONLJD-WDEREUQCSA-N 0 1 275.377 2.876 20 30 CFEDMN C[C@H](C#N)OCCN1CC=C(c2ccc(C#N)cc2)CC1 ZINC000801940506 630493272 /nfs/dbraw/zinc/49/32/72/630493272.db2.gz NOLFJHHMZKPBAV-CQSZACIVSA-N 0 1 281.359 2.576 20 30 CFEDMN N#CC(C(=O)C=Cc1ccc[nH]1)c1cnc2ccccc2n1 ZINC000802227525 630514511 /nfs/dbraw/zinc/51/45/11/630514511.db2.gz IDWAKESIAGSSNY-SBDDDAINSA-N 0 1 288.310 2.848 20 30 CFEDMN N#CC(=C(O)C=Cc1ccc[nH]1)c1cnc2ccccc2n1 ZINC000802227525 630514513 /nfs/dbraw/zinc/51/45/13/630514513.db2.gz IDWAKESIAGSSNY-SBDDDAINSA-N 0 1 288.310 2.848 20 30 CFEDMN C=CCCCCCN(C)CN1C[C@@H]2CCC[C@@H]2C1=O ZINC000840005004 630628276 /nfs/dbraw/zinc/62/82/76/630628276.db2.gz BIJSCRXDFMEHNL-GJZGRUSLSA-N 0 1 264.413 2.881 20 30 CFEDMN CC[C@](C)(C#N)C(=O)OCCN(C)Cc1ccc(F)cc1 ZINC000803785740 630644450 /nfs/dbraw/zinc/64/44/50/630644450.db2.gz SIGVNMMTVZHDMO-MRXNPFEDSA-N 0 1 292.354 2.741 20 30 CFEDMN CC(C)[C@@H](C(=O)O[C@H]1CC[C@@](C)(C#N)CC1)N(C)C ZINC000836155139 630755575 /nfs/dbraw/zinc/75/55/75/630755575.db2.gz MDBVXKRLTKUSFG-KCQAQPDRSA-N 0 1 266.385 2.588 20 30 CFEDMN C[C@@]1(C#N)CC[C@H](OC(=O)c2ccc3cncn3c2)CC1 ZINC000836156485 630756228 /nfs/dbraw/zinc/75/62/28/630756228.db2.gz ZVFGSQBSSOXHEG-FZNQNYSPSA-N 0 1 283.331 2.964 20 30 CFEDMN C=CCN1CCN(CN2CCC[C@H](c3ccccc3)C2)C1=O ZINC000840077238 630839896 /nfs/dbraw/zinc/83/98/96/630839896.db2.gz QUGHGPSSLFONDY-KRWDZBQOSA-N 0 1 299.418 2.747 20 30 CFEDMN N#CCCCCCC(=O)Nc1cc(C#N)ccc1O ZINC000806990769 630852267 /nfs/dbraw/zinc/85/22/67/630852267.db2.gz PFPJKAVUISJDRH-UHFFFAOYSA-N 0 1 257.293 2.676 20 30 CFEDMN CCCCCCCCNC(=O)N[C@H](C)c1n[nH]c(C)n1 ZINC000807022302 630854056 /nfs/dbraw/zinc/85/40/56/630854056.db2.gz BGPKNFMHTPLBNM-LLVKDONJSA-N 0 1 281.404 2.834 20 30 CFEDMN CC(=NNc1ccc([N+](=O)[O-])cc1)c1cn2c(n1)CCCC2 ZINC000807940500 630924325 /nfs/dbraw/zinc/92/43/25/630924325.db2.gz MCBSUZFJZMEEQO-UHFFFAOYSA-N 0 1 299.334 2.964 20 30 CFEDMN CCSCC(=NNc1nccn1C)c1ccccc1 ZINC000807984927 630930446 /nfs/dbraw/zinc/93/04/46/630930446.db2.gz HYDMEBGOSNYBGV-UHFFFAOYSA-N 0 1 274.393 2.989 20 30 CFEDMN CCSCC(=N[N-]c1[nH+]ccn1C)c1ccccc1 ZINC000807984927 630930447 /nfs/dbraw/zinc/93/04/47/630930447.db2.gz HYDMEBGOSNYBGV-UHFFFAOYSA-N 0 1 274.393 2.989 20 30 CFEDMN C=CCONC(=O)C(C)(C)c1ccc(Br)cc1 ZINC000837043667 630942566 /nfs/dbraw/zinc/94/25/66/630942566.db2.gz FAZQTQIOVHVYKA-UHFFFAOYSA-N 0 1 298.180 2.961 20 30 CFEDMN C=CCONC(=O)[C@@H](c1ccc(F)cc1)C(C)C ZINC000837045824 630944157 /nfs/dbraw/zinc/94/41/57/630944157.db2.gz BGEQUMCJDNIOCF-CYBMUJFWSA-N 0 1 251.301 2.799 20 30 CFEDMN C=CCONC(=O)[C@@H]1CCc2c1cccc2Cl ZINC000837046107 630944345 /nfs/dbraw/zinc/94/43/45/630944345.db2.gz DHPPCRHSNRSMJH-LLVKDONJSA-N 0 1 251.713 2.604 20 30 CFEDMN C=CCCCCCN(C)CN1CC(C)(C)CC1=O ZINC000808163264 630960647 /nfs/dbraw/zinc/96/06/47/630960647.db2.gz XETMWZMMQIZKGK-UHFFFAOYSA-N 0 1 252.402 2.881 20 30 CFEDMN C#CCCCCC(=O)Nc1ccc(F)c(F)c1O ZINC000837266309 630989015 /nfs/dbraw/zinc/98/90/15/630989015.db2.gz MZGAWCCVHNBUFI-UHFFFAOYSA-N 0 1 253.248 2.803 20 30 CFEDMN CC(C)(C)C#CC(=O)NCc1nc2ccc(Cl)cc2[nH]1 ZINC000837410892 631022510 /nfs/dbraw/zinc/02/25/10/631022510.db2.gz SNXVQIKJCWRWCK-UHFFFAOYSA-N 0 1 289.766 2.882 20 30 CFEDMN C#C[C@H](N[C@H]1CCc2c1ccc(OC)c2F)[C@@H]1CCCO1 ZINC000808715172 631033574 /nfs/dbraw/zinc/03/35/74/631033574.db2.gz SKTZWYWTRQXGNO-KKUMJFAQSA-N 0 1 289.350 2.592 20 30 CFEDMN COCC#CCN[C@@H](c1ccccc1)[C@H](O)c1ccccc1 ZINC000808787919 631048297 /nfs/dbraw/zinc/04/82/97/631048297.db2.gz DUFDGUTXRZHRJP-RBUKOAKNSA-N 0 1 295.382 2.701 20 30 CFEDMN CN1CC[C@@H](NC(=O)C#CC(C)(C)C)[C@H]1c1ccccc1 ZINC000837501240 631049393 /nfs/dbraw/zinc/04/93/93/631049393.db2.gz LUYRNVGULFDHED-NVXWUHKLSA-N 0 1 284.403 2.598 20 30 CFEDMN O=C(C#CC1CC1)Nc1ccc2nc(C(F)F)[nH]c2c1 ZINC000837500690 631049597 /nfs/dbraw/zinc/04/95/97/631049597.db2.gz HDWBKMGGLQYFTC-UHFFFAOYSA-N 0 1 275.258 2.852 20 30 CFEDMN N#CC1(COC(=O)c2c(F)cc(O)cc2F)CCC1 ZINC000837534331 631058619 /nfs/dbraw/zinc/05/86/19/631058619.db2.gz QBOHNNDRCIFSEC-UHFFFAOYSA-N 0 1 267.231 2.521 20 30 CFEDMN CC1(CC(=O)C(C#N)C(=O)NCc2ccccc2)CCCC1 ZINC000808979883 631061827 /nfs/dbraw/zinc/06/18/27/631061827.db2.gz OHSFPNXBFHPVBR-HNNXBMFYSA-N 0 1 298.386 2.982 20 30 CFEDMN CC(C)(C)C#CC(=O)Nc1ccc(F)c(F)c1O ZINC000837699334 631111386 /nfs/dbraw/zinc/11/13/86/631111386.db2.gz ZFCZHMJGCJGKMF-UHFFFAOYSA-N 0 1 253.248 2.658 20 30 CFEDMN C#CCCCCCC(=O)NCc1ccc2cncn2c1 ZINC000837856062 631143150 /nfs/dbraw/zinc/14/31/50/631143150.db2.gz HMJGCMFULHTGJI-UHFFFAOYSA-N 0 1 269.348 2.534 20 30 CFEDMN C#Cc1ccc(CN2CCN(c3ccc(O)cc3)CC2)cc1 ZINC000809537788 631230111 /nfs/dbraw/zinc/23/01/11/631230111.db2.gz RROJZHMMGKVMPI-UHFFFAOYSA-N 0 1 292.382 2.696 20 30 CFEDMN C=CC1CCN(Cc2cnc([C@H](C)O)s2)CC1 ZINC000809574516 631238884 /nfs/dbraw/zinc/23/88/84/631238884.db2.gz LUZHUSRUQUUVHL-JTQLQIEISA-N 0 1 252.383 2.594 20 30 CFEDMN C#C[C@H](C)NCc1ccc(OC)cc1OCc1cccnc1 ZINC000809684113 631261686 /nfs/dbraw/zinc/26/16/86/631261686.db2.gz OCYKKDQKWYXLIX-AWEZNQCLSA-N 0 1 296.370 2.781 20 30 CFEDMN C#C[C@@H](NCc1cc(OC)cc2c1O[C@H](C)C2)C(C)C ZINC000809685638 631262753 /nfs/dbraw/zinc/26/27/53/631262753.db2.gz GTMTZJPAQPYGQO-MLGOLLRUSA-N 0 1 273.376 2.766 20 30 CFEDMN CN(C)Cc1ccc(NCc2nc(C#N)cs2)cc1F ZINC000810151378 631335916 /nfs/dbraw/zinc/33/59/16/631335916.db2.gz YOAFWDCPMFVWNB-UHFFFAOYSA-N 0 1 290.367 2.828 20 30 CFEDMN C[C@@H](C[C@H](O)c1cccs1)NCc1nc(C#N)cs1 ZINC000810152043 631336125 /nfs/dbraw/zinc/33/61/25/631336125.db2.gz KVTHVCQRPASJQX-ONGXEEELSA-N 0 1 293.417 2.678 20 30 CFEDMN C=CCOc1ccccc1C(=O)O[C@H](C)c1n[nH]c(C)n1 ZINC000840198684 631361689 /nfs/dbraw/zinc/36/16/89/631361689.db2.gz BYNCSGPARNETHW-SNVBAGLBSA-N 0 1 287.319 2.596 20 30 CFEDMN CC(C)(C)N1CC[C@@](F)(C(=O)OCC2(C#N)CCCC2)C1 ZINC000810660225 631420826 /nfs/dbraw/zinc/42/08/26/631420826.db2.gz LNYIFKVLZTWGFP-INIZCTEOSA-N 0 1 296.386 2.826 20 30 CFEDMN Cc1cc(C=NNc2cccc(C(F)(F)F)n2)n(C)n1 ZINC000841626476 631436305 /nfs/dbraw/zinc/43/63/05/631436305.db2.gz RBRLTWPOPALBOP-UHFFFAOYSA-N 0 1 283.257 2.588 20 30 CFEDMN Cc1cccc2c1C(=NNC1=N[C@@H]3CCCC[C@H]3N1)CC2 ZINC000841631710 631437591 /nfs/dbraw/zinc/43/75/91/631437591.db2.gz GEKMRADDXCCWTK-ZIAGYGMSSA-N 0 1 282.391 2.505 20 30 CFEDMN C[C@@H]1CC(NC(=O)c2nc3ccccc3cc2Cl)=NO1 ZINC000810786943 631444704 /nfs/dbraw/zinc/44/47/04/631444704.db2.gz DKMYXODYHOZMFN-MRVPVSSYSA-N 0 1 289.722 2.740 20 30 CFEDMN C#C[C@H]([NH2+][C@H](C)c1ccc(Cl)cc1[O-])[C@@H]1CCCO1 ZINC000841751213 631465415 /nfs/dbraw/zinc/46/54/15/631465415.db2.gz GAZUPLIVJYEXOP-DGFSRKRXSA-N 0 1 279.767 2.877 20 30 CFEDMN C=CC[C@H](CO)[NH2+][C@@H](C)c1ccc(Cl)cc1[O-] ZINC000841753621 631467198 /nfs/dbraw/zinc/46/71/98/631467198.db2.gz MBOGLZWOIXXNQC-GXSJLCMTSA-N 0 1 255.745 2.633 20 30 CFEDMN N#CC1(CON=Cc2ccc(N3CCOCC3)cc2)CCC1 ZINC000842016874 631500534 /nfs/dbraw/zinc/50/05/34/631500534.db2.gz DPKGPNHQOBNDET-UHFFFAOYSA-N 0 1 299.374 2.568 20 30 CFEDMN CO[C@@H](CC(C)C)C(=O)C(C#N)c1nc(C)cs1 ZINC000842281057 631578434 /nfs/dbraw/zinc/57/84/34/631578434.db2.gz IJASYDRRJUKKGJ-MNOVXSKESA-N 0 1 266.366 2.689 20 30 CFEDMN CC(=NNC(=N)N)c1ccc(-c2c(F)cccc2F)cc1 ZINC000811638121 631589780 /nfs/dbraw/zinc/58/97/80/631589780.db2.gz HSERBJGBPCDVPN-UHFFFAOYSA-N 0 1 288.301 2.839 20 30 CFEDMN Cc1cc(N=NC2CCN(Cc3ccccc3)[C@@H]2C)ncn1 ZINC000811642355 631590837 /nfs/dbraw/zinc/59/08/37/631590837.db2.gz NTWVXAQWOQRPSS-CQSZACIVSA-N 0 1 295.390 2.847 20 30 CFEDMN C[C@H]1C(N=Nc2cccnn2)CCN1Cc1ccccc1 ZINC000811643845 631590940 /nfs/dbraw/zinc/59/09/40/631590940.db2.gz NJYNWKOEQVSBQT-ZDUSSCGKSA-N 0 1 281.363 2.539 20 30 CFEDMN C=C(C)CNN=C1CCN(CCC(F)(F)F)CC1 ZINC000811652069 631594086 /nfs/dbraw/zinc/59/40/86/631594086.db2.gz ZDMIXJQYLGMONE-UHFFFAOYSA-N 0 1 263.307 2.556 20 30 CFEDMN CC(=NNC[C@H]1CCSC1)c1ccc(F)cc1N(C)C ZINC000811657744 631597339 /nfs/dbraw/zinc/59/73/39/631597339.db2.gz SBPLTKGHQMTHQM-GFCCVEGCSA-N 0 1 295.427 2.958 20 30 CFEDMN COc1ncc(CN=Nc2ccccc2[N+](=O)[O-])s1 ZINC000812223150 631669507 /nfs/dbraw/zinc/66/95/07/631669507.db2.gz UCABLJYMSQQFMK-UHFFFAOYSA-N 0 1 278.293 2.506 20 30 CFEDMN C#CCON=C(C)c1ccc([O-])c(C[NH+]2CCCCC2)c1 ZINC000812234655 631673844 /nfs/dbraw/zinc/67/38/44/631673844.db2.gz OKSTZBXUUAIEEB-UHFFFAOYSA-N 0 1 286.375 2.752 20 30 CFEDMN CC(C)OCCON=Cc1ccc(N(C)C(C)C)nc1 ZINC000812238268 631675725 /nfs/dbraw/zinc/67/57/25/631675725.db2.gz QLBNXJWHUFFDMZ-UHFFFAOYSA-N 0 1 279.384 2.702 20 30 CFEDMN C#CC[C@H]1CCCN(CN2C[C@@H](C3CCCC3)CC2=O)C1 ZINC000842629137 631685194 /nfs/dbraw/zinc/68/51/94/631685194.db2.gz JVTSHUUQDPZBDI-RDJZCZTQSA-N 0 1 288.435 2.718 20 30 CFEDMN Cc1cc(C(C#N)C(=O)C2CC3(CCC3)C2)nc(C)n1 ZINC000842682717 631706210 /nfs/dbraw/zinc/70/62/10/631706210.db2.gz KIKZDFWXTHSMQZ-CYBMUJFWSA-N 0 1 269.348 2.850 20 30 CFEDMN C#Cc1ccc(C(=O)Nc2cc(C(=O)CC)ccc2O)cn1 ZINC000812709273 631762261 /nfs/dbraw/zinc/76/22/61/631762261.db2.gz UMPTWUZFXMODQE-UHFFFAOYSA-N 0 1 294.310 2.614 20 30 CFEDMN C#C[C@H](NCc1ccccc1O)c1ccc(F)cc1 ZINC000812793879 631780059 /nfs/dbraw/zinc/78/00/59/631780059.db2.gz IQYVFCNWZXZSMT-HNNXBMFYSA-N 0 1 255.292 2.995 20 30 CFEDMN N#C[C@@H](C(=O)C[C@@H]1CCCO1)c1cc(C(F)(F)F)ccn1 ZINC000813212395 631881626 /nfs/dbraw/zinc/88/16/26/631881626.db2.gz BATHIEJPTUSOIV-WDEREUQCSA-N 0 1 298.264 2.846 20 30 CFEDMN CC(C)Cn1nccc1/C=C/C(=O)c1ccc(O)cc1O ZINC000843270052 631915162 /nfs/dbraw/zinc/91/51/62/631915162.db2.gz SXWNFCPNTUQHQL-ZZXKWVIFSA-N 0 1 286.331 2.846 20 30 CFEDMN CC1(C)Oc2ccsc2[C@H](N[C@H]2CC[C@H](C#N)C2)[C@H]1O ZINC000813875367 631971288 /nfs/dbraw/zinc/97/12/88/631971288.db2.gz KIBFBTMBMOLKGL-JYYRZZBQSA-N 0 1 292.404 2.603 20 30 CFEDMN C(=NOCCC1CC1)c1ccccc1N1CCOCC1 ZINC000814245919 632044509 /nfs/dbraw/zinc/04/45/09/632044509.db2.gz NUAMXFCBISYOSS-UHFFFAOYSA-N 0 1 274.364 2.674 20 30 CFEDMN C=C(Cl)CNCc1ccccc1-c1ccnn1C ZINC000814292858 632050397 /nfs/dbraw/zinc/05/03/97/632050397.db2.gz ASGSXTDWFBNYRN-UHFFFAOYSA-N 0 1 261.756 2.929 20 30 CFEDMN OCc1ccc(O)c(C=NNc2nc3ccccc3s2)c1 ZINC000814685590 632108852 /nfs/dbraw/zinc/10/88/52/632108852.db2.gz SLQWQYLQQPIIEM-UHFFFAOYSA-N 0 1 299.355 2.940 20 30 CFEDMN CC(N=Nc1ccc(C(F)(F)F)cn1)c1ccc(N)nc1 ZINC000814711482 632111555 /nfs/dbraw/zinc/11/15/55/632111555.db2.gz LCNJPKNAVQSLFC-UHFFFAOYSA-N 0 1 295.268 2.914 20 30 CFEDMN Cc1sccc1C=Nn1c(=S)[nH]nc1C(F)(F)F ZINC000814723688 632114085 /nfs/dbraw/zinc/11/40/85/632114085.db2.gz KVVYDKBOUVOONA-UHFFFAOYSA-N 0 1 292.311 2.838 20 30 CFEDMN Clc1cccc2c1C(=N[N-]c1cccc[nH+]1)CO2 ZINC000814732033 632115202 /nfs/dbraw/zinc/11/52/02/632115202.db2.gz URSNZVSNEVBJMP-UHFFFAOYSA-N 0 1 259.696 2.944 20 30 CFEDMN CC(C)(C)[C@H]1CC(=NNCCN2CCCCC2)CS1 ZINC000814808814 632130070 /nfs/dbraw/zinc/13/00/70/632130070.db2.gz SUKPTPSXWHJTAT-CQSZACIVSA-N 0 1 283.485 2.970 20 30 CFEDMN Cc1cc[nH]c(=NN=Cc2nc3c(s2)CCC3)c1 ZINC000814868154 632142284 /nfs/dbraw/zinc/14/22/84/632142284.db2.gz LRTBFJLUOMCFQY-UHFFFAOYSA-N 0 1 258.350 2.781 20 30 CFEDMN COc1cccc(N=NC(C)c2cc(N)ccc2F)n1 ZINC000814900215 632155059 /nfs/dbraw/zinc/15/50/59/632155059.db2.gz JCOKVASGXNAQFJ-UHFFFAOYSA-N 0 1 274.299 2.648 20 30 CFEDMN CC(N=Nc1ccc(F)c(F)c1F)c1cnccn1 ZINC000814945112 632177280 /nfs/dbraw/zinc/17/72/80/632177280.db2.gz LOCLBBBECGZXLL-UHFFFAOYSA-N 0 1 266.226 2.730 20 30 CFEDMN CC(C)CC(=O)CCN(C)C[C@H](O)c1cccc(C#N)c1 ZINC000844368306 632182135 /nfs/dbraw/zinc/18/21/35/632182135.db2.gz JQKQMFZVUIKYMA-KRWDZBQOSA-N 0 1 288.391 2.529 20 30 CFEDMN CN(CCC(=O)C(C)(C)C)C[C@@H](O)c1cccc(C#N)c1 ZINC000844372108 632183353 /nfs/dbraw/zinc/18/33/53/632183353.db2.gz UXLUKGRBSPEOIO-OAHLLOKOSA-N 0 1 288.391 2.529 20 30 CFEDMN Cn1nncc1NN=Cc1ccc(C(C)(C)C)cc1 ZINC000814980201 632184107 /nfs/dbraw/zinc/18/41/07/632184107.db2.gz DIIKXYWKUPCNLV-UHFFFAOYSA-N 0 1 257.341 2.559 20 30 CFEDMN Cn1nncc1[N-][NH+]=Cc1ccc(C(C)(C)C)cc1 ZINC000814980201 632184112 /nfs/dbraw/zinc/18/41/12/632184112.db2.gz DIIKXYWKUPCNLV-UHFFFAOYSA-N 0 1 257.341 2.559 20 30 CFEDMN CCC(=NNc1cnnn1C)c1cc(Cl)ccc1OC ZINC000814982163 632184210 /nfs/dbraw/zinc/18/42/10/632184210.db2.gz PQRSKDXMPWACDW-UHFFFAOYSA-N 0 1 293.758 2.703 20 30 CFEDMN CC(N=Nc1cnnn1C)c1cc2c(s1)CCCC2 ZINC000814981277 632184386 /nfs/dbraw/zinc/18/43/86/632184386.db2.gz AAGDQLFYBPXRNK-UHFFFAOYSA-N 0 1 275.381 2.592 20 30 CFEDMN C=CCC(C)(C)C(=O)NCc1n[nH]c(-c2ccccc2)n1 ZINC000815204927 632228710 /nfs/dbraw/zinc/22/87/10/632228710.db2.gz BYWWAOHCZCPNQF-UHFFFAOYSA-N 0 1 284.363 2.690 20 30 CFEDMN C=CCC(C)(C)C(=O)NCc1nc(-c2ccccc2)n[nH]1 ZINC000815204927 632228714 /nfs/dbraw/zinc/22/87/14/632228714.db2.gz BYWWAOHCZCPNQF-UHFFFAOYSA-N 0 1 284.363 2.690 20 30 CFEDMN C=C(C)CON=C1CCN(CCC(F)(F)F)CC1 ZINC000844617971 632264533 /nfs/dbraw/zinc/26/45/33/632264533.db2.gz FXSSEZPWMNZDOX-UHFFFAOYSA-N 0 1 264.291 2.983 20 30 CFEDMN N#Cc1ccc(O)c(NC(=O)c2sccc2F)c1 ZINC000815878140 632327800 /nfs/dbraw/zinc/32/78/00/632327800.db2.gz VDRIKAZGRRCZKE-UHFFFAOYSA-N 0 1 262.265 2.717 20 30 CFEDMN C[C@@H](C(=O)C(C#N)C(=O)Nc1ccccc1)C(C)(F)F ZINC000815907709 632332045 /nfs/dbraw/zinc/33/20/45/632332045.db2.gz IEUBFYMIRROBHK-ONGXEEELSA-N 0 1 280.274 2.625 20 30 CFEDMN CC[C@@H](CC(=O)[C@@H](C#N)C(=O)NC1CCCC1)C(C)C ZINC000105759320 632363186 /nfs/dbraw/zinc/36/31/86/632363186.db2.gz SJUAVKLQNISYIB-GXTWGEPZSA-N 0 1 278.396 2.826 20 30 CFEDMN C#CCN1CCC[C@H]1COC(=O)c1cc[nH]c1C1CCC1 ZINC000845461967 632439845 /nfs/dbraw/zinc/43/98/45/632439845.db2.gz QYGGXQXLHGGBRI-AWEZNQCLSA-N 0 1 286.375 2.537 20 30 CFEDMN C#CCN(CC#CC)Cc1ccccc1-c1ccnn1C ZINC000816513725 632474903 /nfs/dbraw/zinc/47/49/03/632474903.db2.gz ZWRLZTUGKNMSGR-UHFFFAOYSA-N 0 1 277.371 2.546 20 30 CFEDMN C=CCCOCC(O)=C(C#N)C(=O)C1(c2ccccc2)CC1 ZINC000845836842 632577290 /nfs/dbraw/zinc/57/72/90/632577290.db2.gz CDYSGVILDDJLQL-HNNXBMFYSA-N 0 1 297.354 2.589 20 30 CFEDMN C=CCCOCC(O)=C(C#N)C(=O)C1(c2ccccc2)CC1 ZINC000845836843 632577708 /nfs/dbraw/zinc/57/77/08/632577708.db2.gz CDYSGVILDDJLQL-OAHLLOKOSA-N 0 1 297.354 2.589 20 30 CFEDMN CCCC(=O)C(C#N)=C(O)C1(c2ccccc2)CC1 ZINC000845840212 632578369 /nfs/dbraw/zinc/57/83/69/632578369.db2.gz LWWFKXCOMPIETB-CYBMUJFWSA-N 0 1 255.317 2.796 20 30 CFEDMN CC[C@H]1CN(Cc2ccc(OCC#N)cc2)C[C@H](CC)O1 ZINC000817280669 632592869 /nfs/dbraw/zinc/59/28/69/632592869.db2.gz JVFQTFPHKUFPEC-HOTGVXAUSA-N 0 1 288.391 2.978 20 30 CFEDMN C(=NNC1=N[C@@H]2CCCC[C@H]2N1)c1cccc(C2CC2)c1 ZINC000817325520 632602503 /nfs/dbraw/zinc/60/25/03/632602503.db2.gz DEIXGWWYBVMJHJ-HZPDHXFCSA-N 0 1 282.391 2.758 20 30 CFEDMN COc1cccc(O)c1CNCC1(C#N)CCCC1 ZINC000846010049 632613537 /nfs/dbraw/zinc/61/35/37/632613537.db2.gz HHBKCLSHJGLYBI-UHFFFAOYSA-N 0 1 260.337 2.574 20 30 CFEDMN C#C[C@H](NCc1cccc(C2CC2)c1)[C@H]1CCCO1 ZINC000817410869 632623741 /nfs/dbraw/zinc/62/37/41/632623741.db2.gz UOOWQTBQNMIHNL-DLBZAZTESA-N 0 1 255.361 2.834 20 30 CFEDMN C=CC[N@@H+](CC(=O)[O-])Cc1cc(C)ccc1OC(F)F ZINC000846263632 632676963 /nfs/dbraw/zinc/67/69/63/632676963.db2.gz PEEPEFNQNGYBGB-UHFFFAOYSA-N 0 1 285.290 2.669 20 30 CFEDMN N#CC(C(=O)Nc1ccccc1Cl)C(=O)[C@H]1CC12CC2 ZINC000817713934 632690518 /nfs/dbraw/zinc/69/05/18/632690518.db2.gz IQJGWINSGTUJGM-VHSXEESVSA-N 0 1 288.734 2.787 20 30 CFEDMN Cc1cccc2nc([C@H](C#N)C(=O)[C@@H]3CC34CC4)[nH]c21 ZINC000817717083 632691428 /nfs/dbraw/zinc/69/14/28/632691428.db2.gz MYBUEMNUPLECFF-MNOVXSKESA-N 0 1 265.316 2.848 20 30 CFEDMN CC#CC(=O)N1C[C@H](C)N(Cc2ccccc2)[C@H](C)[C@H]1C ZINC000846344859 632693563 /nfs/dbraw/zinc/69/35/63/632693563.db2.gz DEIFTWQQEADVCP-ARFHVFGLSA-N 0 1 284.403 2.520 20 30 CFEDMN C=C(C)CONC(=O)[C@H](C)c1c(F)cccc1F ZINC000846535742 632725838 /nfs/dbraw/zinc/72/58/38/632725838.db2.gz LRVPZURXAWPIHU-SECBINFHSA-N 0 1 255.264 2.692 20 30 CFEDMN C=C[C@@H](C)ONC(=O)[C@H]1CCSc2ccccc21 ZINC000846545853 632734028 /nfs/dbraw/zinc/73/40/28/632734028.db2.gz JAOGYYAFKROVNM-PWSUYJOCSA-N 0 1 263.362 2.888 20 30 CFEDMN C#CCOc1ccc(CNCc2cncn2C(C)C)cc1 ZINC000818215187 632814968 /nfs/dbraw/zinc/81/49/68/632814968.db2.gz BMKTUZOEKCRBRL-UHFFFAOYSA-N 0 1 283.375 2.766 20 30 CFEDMN CC(=O)C1CCN([C@@H](C)c2cccc(C#N)c2)CC1 ZINC000846943766 632854837 /nfs/dbraw/zinc/85/48/37/632854837.db2.gz MUTBDKRZMPRGES-LBPRGKRZSA-N 0 1 256.349 2.920 20 30 CFEDMN C#C[C@H]1CCCN(Cc2ccc(OCC(F)(F)F)nc2)C1 ZINC000847018482 632883957 /nfs/dbraw/zinc/88/39/57/632883957.db2.gz KJBUXUQXMNUJFH-LBPRGKRZSA-N 0 1 298.308 2.868 20 30 CFEDMN C#C[C@@H]1CCCN([C@@H](C(=O)N(CC)CC)c2ccccc2)C1 ZINC000847021668 632885799 /nfs/dbraw/zinc/88/57/99/632885799.db2.gz AIQPQOMMDPJZOW-SJLPKXTDSA-N 0 1 298.430 2.941 20 30 CFEDMN C#C[C@@H]1CCCN([C@H](C)C(=O)Nc2ccc(C)cc2C)C1 ZINC000847022391 632887958 /nfs/dbraw/zinc/88/79/58/632887958.db2.gz HFQHXEAIDVBLMZ-HZPDHXFCSA-N 0 1 284.403 2.976 20 30 CFEDMN C#C[C@H]1CCCN(CC(=O)N[C@@H]2CCCc3ccccc32)C1 ZINC000847022375 632887999 /nfs/dbraw/zinc/88/79/99/632887999.db2.gz HBRNNESURVPTIL-MAUKXSAKSA-N 0 1 296.414 2.525 20 30 CFEDMN C#C[C@H]1CCCN([C@H](C)C(=O)Nc2ccc(C)c(C)c2)C1 ZINC000847029898 632894955 /nfs/dbraw/zinc/89/49/55/632894955.db2.gz OECFFJRLTQZODI-CVEARBPZSA-N 0 1 284.403 2.976 20 30 CFEDMN C=C(Br)CNC[C@H](O)[C@@H](C)c1ccccc1 ZINC000818978883 632921091 /nfs/dbraw/zinc/92/10/91/632921091.db2.gz BAEDHMVNGMSIQJ-AAEUAGOBSA-N 0 1 284.197 2.649 20 30 CFEDMN N#CC(C(=O)CCCc1ccc(F)cc1)c1ccncn1 ZINC000847684277 633040223 /nfs/dbraw/zinc/04/02/23/633040223.db2.gz ZTHDWYKMYAXHGZ-AWEZNQCLSA-N 0 1 283.306 2.815 20 30 CFEDMN N#CC1(CNC[C@H](O)c2cccc3ccccc32)CC1 ZINC000819280281 633052458 /nfs/dbraw/zinc/05/24/58/633052458.db2.gz ANIQHHCVRSBKJT-INIZCTEOSA-N 0 1 266.344 2.767 20 30 CFEDMN C=CCC1(C(=O)OCc2cc(C3CC3)[nH]n2)CCOCC1 ZINC000848009843 633183111 /nfs/dbraw/zinc/18/31/11/633183111.db2.gz KEKIKRBFMFRHJI-UHFFFAOYSA-N 0 1 290.363 2.703 20 30 CFEDMN C=C[C@](C)(CCOC)C(=O)OCc1cc(C2CC2)[nH]n1 ZINC000848011459 633184580 /nfs/dbraw/zinc/18/45/80/633184580.db2.gz JASQHHHYQOMSPA-OAHLLOKOSA-N 0 1 278.352 2.559 20 30 CFEDMN C=C[C@@](C)(CCOC)C(=O)OCc1cc(C2CC2)[nH]n1 ZINC000848011458 633185261 /nfs/dbraw/zinc/18/52/61/633185261.db2.gz JASQHHHYQOMSPA-HNNXBMFYSA-N 0 1 278.352 2.559 20 30 CFEDMN N#Cc1ccc(C(=O)OCc2cc(C3CC3)[nH]n2)s1 ZINC000848013519 633187007 /nfs/dbraw/zinc/18/70/07/633187007.db2.gz ORMQGYFRCDQXGT-UHFFFAOYSA-N 0 1 273.317 2.577 20 30 CFEDMN C=C[C@@H](C)ONC(=O)[C@H]1CCCc2ccc(OC)cc21 ZINC000848245249 633222779 /nfs/dbraw/zinc/22/27/79/633222779.db2.gz JTHOGARNWDWGHL-RISCZKNCSA-N 0 1 275.348 2.737 20 30 CFEDMN Clc1cccc(NN=Cc2cc3n(n2)CCCC3)n1 ZINC000848410577 633251860 /nfs/dbraw/zinc/25/18/60/633251860.db2.gz QUFQUPWTFGFVNY-UHFFFAOYSA-N 0 1 275.743 2.714 20 30 CFEDMN C[C@@H](NN=C1CCCN2CCCC[C@@H]12)c1ccncc1 ZINC000848411957 633252830 /nfs/dbraw/zinc/25/28/30/633252830.db2.gz GJPITAAKOKCDAP-CJNGLKHVSA-N 0 1 272.396 2.737 20 30 CFEDMN C#C[C@@H]1CCCN(Cn2ccc(-c3ccccc3)n2)C1 ZINC000848494032 633266894 /nfs/dbraw/zinc/26/68/94/633266894.db2.gz SSKRHEMDOFABSM-OAHLLOKOSA-N 0 1 265.360 2.853 20 30 CFEDMN C#C[C@@H]1CCCN(Cn2ccc(-c3ccsc3)n2)C1 ZINC000848494666 633267210 /nfs/dbraw/zinc/26/72/10/633267210.db2.gz YQFVOPRRAFDSPK-CYBMUJFWSA-N 0 1 271.389 2.914 20 30 CFEDMN N#Cc1cccn(CN2CCC[C@@H]2CC2CCCC2)c1=O ZINC000848507025 633268237 /nfs/dbraw/zinc/26/82/37/633268237.db2.gz SHDOQSAOILPWRM-MRXNPFEDSA-N 0 1 285.391 2.722 20 30 CFEDMN C#C[C@H](NCc1ccc(/C=C/C(=O)OC)o1)C(C)(C)C ZINC000848911880 633396599 /nfs/dbraw/zinc/39/65/99/633396599.db2.gz JZTXKSMOIKMRJA-HBWSCVEGSA-N 0 1 275.348 2.603 20 30 CFEDMN COc1ccc(C(=O)/C=C\c2cn(C3CCC3)nn2)c(O)c1 ZINC000849247747 633590582 /nfs/dbraw/zinc/59/05/82/633590582.db2.gz XGXNKIPNSSCKBA-YVMONPNESA-N 0 1 299.330 2.613 20 30 CFEDMN C=C(C)C[C@@H](C)C(=O)O[C@H](C)c1n[nH]c(CC)n1 ZINC000849756582 633704677 /nfs/dbraw/zinc/70/46/77/633704677.db2.gz BWPKOACJFSGUSJ-NXEZZACHSA-N 0 1 251.330 2.574 20 30 CFEDMN C#C[C@H](NCc1ccc(OCC)cc1C)[C@H]1CCCO1 ZINC000850251352 633913041 /nfs/dbraw/zinc/91/30/41/633913041.db2.gz UCZGOBSSVGJXBS-DLBZAZTESA-N 0 1 273.376 2.664 20 30 CFEDMN C#C[C@@H](NCc1ccc(C2(C#N)CC2)cc1)[C@@H]1CCCO1 ZINC000850250728 633913327 /nfs/dbraw/zinc/91/33/27/633913327.db2.gz CSXHOYWAADTBHC-SJORKVTESA-N 0 1 280.371 2.512 20 30 CFEDMN N#CC1(CNCc2cc3c(cc2O)OCO3)CCCCC1 ZINC000850390859 633973394 /nfs/dbraw/zinc/97/33/94/633973394.db2.gz VVGUNWAOOUOLJW-UHFFFAOYSA-N 0 1 288.347 2.685 20 30 CFEDMN C#C[C@H](N[C@H](C)c1ccc2c(c1)CCCO2)[C@@H]1CCCO1 ZINC000850460691 634002185 /nfs/dbraw/zinc/00/21/85/634002185.db2.gz BIOCKXLDOARKEO-SKDZVZGDSA-N 0 1 285.387 2.843 20 30 CFEDMN C#C[C@H](N[C@H](C)c1ccc(C(F)F)nc1)[C@H]1CCCO1 ZINC000850461210 634002400 /nfs/dbraw/zinc/00/24/00/634002400.db2.gz GTVKSVKRFFFCSC-SCDSUCTJSA-N 0 1 280.318 2.851 20 30 CFEDMN N#CC(C(=O)Nc1ccccn1)C(=O)[C@H]1CCCC2(CC2)C1 ZINC000850781708 634090823 /nfs/dbraw/zinc/09/08/23/634090823.db2.gz CILVRDBCYKJJKK-QWHCGFSZSA-N 0 1 297.358 2.699 20 30 CFEDMN N#CC(C(=O)Nc1ccccn1)C(=O)[C@@H]1CCCC2(CC2)C1 ZINC000850781707 634090966 /nfs/dbraw/zinc/09/09/66/634090966.db2.gz CILVRDBCYKJJKK-OLZOCXBDSA-N 0 1 297.358 2.699 20 30 CFEDMN N#CC(C(=O)[C@@H]1CCC[C@H]2C[C@H]21)c1nnc2n1CCCCC2 ZINC000850782147 634091003 /nfs/dbraw/zinc/09/10/03/634091003.db2.gz JIFKQMYEVGHRFZ-REWJHTLYSA-N 0 1 298.390 2.617 20 30 CFEDMN C#CCN1CCC[C@@H]1COC(=O)C1CCC2(CC2)CC1 ZINC000850826258 634103788 /nfs/dbraw/zinc/10/37/88/634103788.db2.gz KXHPDMGYHXPJFZ-OAHLLOKOSA-N 0 1 275.392 2.598 20 30 CFEDMN Cc1cccc(CNC(=O)C(C#N)C(=O)[C@H]2CCC2(C)C)c1 ZINC000850977031 634163197 /nfs/dbraw/zinc/16/31/97/634163197.db2.gz LRKKLUSCUXZRNP-HUUCEWRRSA-N 0 1 298.386 2.756 20 30 CFEDMN C[C@@H](CC#N)C(=O)C(C#N)=C(O)C1(c2ccccc2)CC1 ZINC000851109469 634226514 /nfs/dbraw/zinc/22/65/14/634226514.db2.gz KGJKSQDFUFSDHI-JSGCOSHPSA-N 0 1 280.327 2.546 20 30 CFEDMN C#Cc1cccnc1N1CCN(Cc2cccc(C)c2)CC1 ZINC000853091663 634900724 /nfs/dbraw/zinc/90/07/24/634900724.db2.gz YRKKCPOLBNSSGP-UHFFFAOYSA-N 0 1 291.398 2.694 20 30 CFEDMN C=CC1CCN(Cn2nccc2-c2ccncc2)CC1 ZINC000111165977 634936950 /nfs/dbraw/zinc/93/69/50/634936950.db2.gz XSBLXJWONSOZLM-UHFFFAOYSA-N 0 1 268.364 2.801 20 30 CFEDMN C[C@@H](OC(=O)c1ccc(C(C)(C)C#N)cc1)c1nnc[nH]1 ZINC000853222976 634941900 /nfs/dbraw/zinc/94/19/00/634941900.db2.gz FBBWATWNEXDWMA-SNVBAGLBSA-N 0 1 284.319 2.524 20 30 CFEDMN C=C[C@@H](CC(=O)O[C@@H](C)c1nnc[nH]1)c1ccccc1 ZINC000853222505 634942042 /nfs/dbraw/zinc/94/20/42/634942042.db2.gz NLJBADSAUDOQDK-RYUDHWBXSA-N 0 1 271.320 2.769 20 30 CFEDMN COC[C@H](C)Oc1ccc(C=NNc2ccccn2)cc1 ZINC000853269465 634956303 /nfs/dbraw/zinc/95/63/03/634956303.db2.gz VZNCRRKJBVGCKW-ZDUSSCGKSA-N 0 1 285.347 2.941 20 30 CFEDMN O=c1nc(NN=CC2CCSCC2)[nH]c2ccccc12 ZINC000853319273 634966853 /nfs/dbraw/zinc/96/68/53/634966853.db2.gz NGELCZWFBHSAKP-UHFFFAOYSA-N 0 1 288.376 2.876 20 30 CFEDMN O=c1[nH]c(N=NCC2CCSCC2)nc2ccccc21 ZINC000853319273 634966856 /nfs/dbraw/zinc/96/68/56/634966856.db2.gz NGELCZWFBHSAKP-UHFFFAOYSA-N 0 1 288.376 2.876 20 30 CFEDMN Cc1ccc(F)c(NN=C2CCCn3nccc32)c1 ZINC000853318606 634966870 /nfs/dbraw/zinc/96/68/70/634966870.db2.gz DYBOIDKUKRTIFK-UHFFFAOYSA-N 0 1 258.300 2.941 20 30 CFEDMN Cc1ccc2cc(C=NNC3=N[C@@H]4CCCC[C@@H]4N3)[nH]c2c1 ZINC000853324745 634969047 /nfs/dbraw/zinc/96/90/47/634969047.db2.gz MXEYCSYPESGDDV-GASCZTMLSA-N 0 1 295.390 2.670 20 30 CFEDMN Clc1ccnc(NN=Cc2ccnn2CC2CC2)c1 ZINC000853328605 634970659 /nfs/dbraw/zinc/97/06/59/634970659.db2.gz LEXJVRNXEPKIAJ-UHFFFAOYSA-N 0 1 275.743 2.788 20 30 CFEDMN CCC(CC)CNN=C1C(=O)Nc2cc(O)c(Cl)cc21 ZINC000853335435 634973748 /nfs/dbraw/zinc/97/37/48/634973748.db2.gz USPQRQZUFMYJFM-UHFFFAOYSA-N 0 1 295.770 2.728 20 30 CFEDMN CC(=NNc1cnn(C)c1)c1ccc2c(c1)CCCO2 ZINC000853339406 634975025 /nfs/dbraw/zinc/97/50/25/634975025.db2.gz OHZVGINLLJWFFZ-UHFFFAOYSA-N 0 1 270.336 2.581 20 30 CFEDMN CCOc1ccc(CN=Nc2nccn2C)c(C)c1 ZINC000853339903 634976054 /nfs/dbraw/zinc/97/60/54/634976054.db2.gz FIQVQKUJBZLFCA-UHFFFAOYSA-N 0 1 258.325 2.573 20 30 CFEDMN C[C@@H]1CCCCN1N=Cc1ccc(N2CCOCC2)s1 ZINC000853380520 634988507 /nfs/dbraw/zinc/98/85/07/634988507.db2.gz WVPYIXHSJBHSSK-CYBMUJFWSA-N 0 1 293.436 2.793 20 30 CFEDMN Cc1nn(C(C)(C)C)c(C)c1CN=Nc1ccncc1F ZINC000853401752 634994381 /nfs/dbraw/zinc/99/43/81/634994381.db2.gz BRQMYGNVEYTPQH-UHFFFAOYSA-N 0 1 289.358 2.657 20 30 CFEDMN Fc1cnccc1[N-][NH+]=C1CC[C@H]2CNc3cccc1c32 ZINC000853402532 634995112 /nfs/dbraw/zinc/99/51/12/634995112.db2.gz AJYBEJNPXYTLKK-JTQLQIEISA-N 0 1 282.322 2.762 20 30 CFEDMN CCC(N=Nc1nnc(C)n1C)c1ccc(Cl)c(N)c1 ZINC000853431268 634997650 /nfs/dbraw/zinc/99/76/50/634997650.db2.gz SZHRAGAURYIUNR-UHFFFAOYSA-N 0 1 292.774 2.585 20 30 CFEDMN Fc1cc(C=NOCC2CCC2)ccc1N1CCOCC1 ZINC000853439591 635000710 /nfs/dbraw/zinc/00/07/10/635000710.db2.gz JTNVRXWJWNWQMB-UHFFFAOYSA-N 0 1 292.354 2.813 20 30 CFEDMN C=CC[N@H+](Cc1c([O-])ccc2ccncc21)[C@@H](C)COC ZINC000853532781 635029314 /nfs/dbraw/zinc/02/93/14/635029314.db2.gz MPJIKQADOVMUDB-ZDUSSCGKSA-N 0 1 286.375 2.963 20 30 CFEDMN C=CC[N@@H+](Cc1c([O-])ccc2ccncc21)[C@@H](C)COC ZINC000853532781 635029317 /nfs/dbraw/zinc/02/93/17/635029317.db2.gz MPJIKQADOVMUDB-ZDUSSCGKSA-N 0 1 286.375 2.963 20 30 CFEDMN C=CC[C@H]1CCCN(CN2CC[C@H](C(C)C)C2=O)C1 ZINC000853537107 635032036 /nfs/dbraw/zinc/03/20/36/635032036.db2.gz PBOLWJCMVCHKQC-LSDHHAIUSA-N 0 1 264.413 2.737 20 30 CFEDMN C=CC[C@@H]1CCCN(CN2CC[C@@H](C(C)C)C2=O)C1 ZINC000853537104 635032265 /nfs/dbraw/zinc/03/22/65/635032265.db2.gz PBOLWJCMVCHKQC-CABCVRRESA-N 0 1 264.413 2.737 20 30 CFEDMN C=C1C[C@H]2CC[C@@H](C1)N2CN1C[C@@H](C(C)C)CC1=O ZINC000853598480 635045816 /nfs/dbraw/zinc/04/58/16/635045816.db2.gz RVIPUWSIHQKPJV-SOUVJXGZSA-N 0 1 262.397 2.631 20 30 CFEDMN C#Cc1cccnc1NC[C@H]1CC[N@H+]1Cc1ccccc1 ZINC000853979921 635182732 /nfs/dbraw/zinc/18/27/32/635182732.db2.gz ZYHBNHJHZFQDTJ-QGZVFWFLSA-N 0 1 277.371 2.749 20 30 CFEDMN C#Cc1cccnc1NC[C@H]1CCN1Cc1ccccc1 ZINC000853979921 635182739 /nfs/dbraw/zinc/18/27/39/635182739.db2.gz ZYHBNHJHZFQDTJ-QGZVFWFLSA-N 0 1 277.371 2.749 20 30 CFEDMN CCn1cc(/C=C/C(=O)c2ccc(O)c(F)c2)cn1 ZINC000111998987 635243346 /nfs/dbraw/zinc/24/33/46/635243346.db2.gz MBIZHYOTWZHGFR-HWKANZROSA-N 0 1 260.268 2.644 20 30 CFEDMN C#Cc1cccc(NC(=O)CN(C)CCC(C)(C)C)c1 ZINC000112697075 635405209 /nfs/dbraw/zinc/40/52/09/635405209.db2.gz ANCZUQUQOJKLHV-UHFFFAOYSA-N 0 1 272.392 2.974 20 30 CFEDMN C=CC[C@H]1CCCN(C(=O)c2cc(C3CC3)[nH]n2)C1 ZINC000855438302 635550673 /nfs/dbraw/zinc/55/06/73/635550673.db2.gz FGTXGCGRHGJYJB-NSHDSACASA-N 0 1 259.353 2.715 20 30 CFEDMN C#CCN1CCC[C@@H]1COC(=O)/C=C(/C)c1cccs1 ZINC000857011639 635904352 /nfs/dbraw/zinc/90/43/52/635904352.db2.gz WUBSELIZNHNBAF-YBEMTRGBSA-N 0 1 289.400 2.792 20 30 CFEDMN C[C@H]1CC(NC(=O)c2cscc2C(F)(F)F)=NO1 ZINC000857166093 635938969 /nfs/dbraw/zinc/93/89/69/635938969.db2.gz IMGWALGBTSTTKU-YFKPBYRVSA-N 0 1 278.255 2.619 20 30 CFEDMN C[C@@H](C#N)Oc1ccc(CN[C@@H](CO)c2ccccc2)cc1 ZINC000116345169 636346143 /nfs/dbraw/zinc/34/61/43/636346143.db2.gz KYRSKLNGCDCCSJ-KSSFIOAISA-N 0 1 296.370 2.801 20 30 CFEDMN C[C@H](C#N)Oc1ccc(CN[C@@H](CO)c2ccccc2)cc1 ZINC000116345172 636346796 /nfs/dbraw/zinc/34/67/96/636346796.db2.gz KYRSKLNGCDCCSJ-KDOFPFPSSA-N 0 1 296.370 2.801 20 30 CFEDMN C#C[C@@](C)(CC)NCC(=O)Nc1ccc(Cl)c(F)c1 ZINC000859318974 636539795 /nfs/dbraw/zinc/53/97/95/636539795.db2.gz JYFGLLJQYYJIRN-AWEZNQCLSA-N 0 1 282.746 2.809 20 30 CFEDMN C=C(C)CN1CC[C@H](NC(=O)C2(C)CCCCC2)C1 ZINC001015650622 651207972 /nfs/dbraw/zinc/20/79/72/651207972.db2.gz SSKTVSIVFLDCIP-AWEZNQCLSA-N 0 1 264.413 2.723 20 30 CFEDMN CCCCCNC(=O)C(C#N)C(=O)C[C@@H](C)C(F)(F)F ZINC000860463960 636891110 /nfs/dbraw/zinc/89/11/10/636891110.db2.gz LARMMZXKBGXHES-ZJUUUORDSA-N 0 1 292.301 2.590 20 30 CFEDMN CCOc1ccccc1NC(=O)C(C#N)C(=O)C12CC(C1)C2 ZINC000860471709 636892712 /nfs/dbraw/zinc/89/27/12/636892712.db2.gz QRZLRFGLWHEDFA-VMBJYNEYSA-N 0 1 298.342 2.533 20 30 CFEDMN CCCC[C@@H](CC)CC(=O)C(C#N)C(=O)N1CCCC1 ZINC000117531884 636896366 /nfs/dbraw/zinc/89/63/66/636896366.db2.gz XBAYHUBRCXPMEJ-ZIAGYGMSSA-N 0 1 278.396 2.924 20 30 CFEDMN C=CC[C@@H](C=C)OC(=O)[C@@]1(F)CCN(C(C)(C)C)C1 ZINC000860929012 637022502 /nfs/dbraw/zinc/02/25/02/637022502.db2.gz PCLIPHODDOLJNB-IUODEOHRSA-N 0 1 269.360 2.873 20 30 CFEDMN CCCCCCCNC(=O)CN(C)[C@H]1CCSC1 ZINC000862358020 637331593 /nfs/dbraw/zinc/33/15/93/637331593.db2.gz QGSCEQMMIOINBE-ZDUSSCGKSA-N 0 1 272.458 2.510 20 30 CFEDMN CC#CCN1CC[C@H](NC(=O)CC2CCCCCC2)C1 ZINC001015760284 651212951 /nfs/dbraw/zinc/21/29/51/651212951.db2.gz PIZKIFBZBONYHZ-INIZCTEOSA-N 0 1 276.424 2.561 20 30 CFEDMN C#CCOc1ccccc1CN1CC(Cc2ccco2)C1 ZINC000862487360 637402278 /nfs/dbraw/zinc/40/22/78/637402278.db2.gz PFHCNVCPAUYYEV-UHFFFAOYSA-N 0 1 281.355 2.966 20 30 CFEDMN C#CC[C@H]1CCN(C(=O)c2ccc(CN(CC)CC)o2)C1 ZINC000862565305 637431891 /nfs/dbraw/zinc/43/18/91/637431891.db2.gz QYIXCAMAAPYDAJ-AWEZNQCLSA-N 0 1 288.391 2.607 20 30 CFEDMN CCCC(=NNC1=NC[C@@H](C)N1)c1cc(C)sc1C ZINC000863104971 637555650 /nfs/dbraw/zinc/55/56/50/637555650.db2.gz HUULXLMOQBGEHM-SECBINFHSA-N 0 1 278.425 2.806 20 30 CFEDMN Fc1cc(C=NNc2nccnc2C2CCC2)ccn1 ZINC000863112937 637560491 /nfs/dbraw/zinc/56/04/91/637560491.db2.gz HLVRDVAOEYFDNW-UHFFFAOYSA-N 0 1 271.299 2.724 20 30 CFEDMN COc1cc(C)c(C=NNc2ccncc2C)cc1OC ZINC000863157455 637571707 /nfs/dbraw/zinc/57/17/07/637571707.db2.gz MQNBMYMJEZDUMU-UHFFFAOYSA-N 0 1 285.347 2.584 20 30 CFEDMN Cc1ccc2c(c1)C(=NNc1ccncc1C)CC2 ZINC000863157992 637571914 /nfs/dbraw/zinc/57/19/14/637571914.db2.gz YOHOKUKQMRLIGG-UHFFFAOYSA-N 0 1 251.333 2.883 20 30 CFEDMN CCc1nn(C)c(CC)c1CN=Nc1cccc(C)n1 ZINC000863160211 637574318 /nfs/dbraw/zinc/57/43/18/637574318.db2.gz VGSDCFKNPNFRFU-UHFFFAOYSA-N 0 1 271.368 2.694 20 30 CFEDMN O=C(/C=C\c1ccnn1CC1CCC1)c1ccc(O)cc1O ZINC000865220401 638226103 /nfs/dbraw/zinc/22/61/03/638226103.db2.gz JBYLLAFHYRZGME-DAXSKMNVSA-N 0 1 298.342 2.991 20 30 CFEDMN N#CCCCNCc1ccc(OC(F)F)cc1F ZINC000865526453 638396500 /nfs/dbraw/zinc/39/65/00/638396500.db2.gz SBNRMQBQVBORBA-UHFFFAOYSA-N 0 1 258.243 2.820 20 30 CFEDMN CC(C)(CC#N)CNCc1cccnc1Br ZINC000865599577 638449404 /nfs/dbraw/zinc/44/94/04/638449404.db2.gz LXQASEBSKQEJCX-UHFFFAOYSA-N 0 1 282.185 2.874 20 30 CFEDMN C[C@@H]1CN(c2cc(C(F)(F)F)cc(C#N)n2)[C@H](C)CN1C ZINC000865652526 638489219 /nfs/dbraw/zinc/48/92/19/638489219.db2.gz AUASJDZAGJKOLE-NXEZZACHSA-N 0 1 298.312 2.501 20 30 CFEDMN C[C@@H](C#N)Oc1ccc(CNCc2ccnc(F)c2)cc1 ZINC000865723280 638536880 /nfs/dbraw/zinc/53/68/80/638536880.db2.gz WWGPXWOFSFPICR-LBPRGKRZSA-N 0 1 285.322 2.801 20 30 CFEDMN C[C@@H]1CN(c2cc(C(F)(F)F)cc(C#N)n2)C[C@H](C)N1C ZINC000865834709 638599698 /nfs/dbraw/zinc/59/96/98/638599698.db2.gz QFFLIGTYRZZKEU-AOOOYVTPSA-N 0 1 298.312 2.501 20 30 CFEDMN C[C@@H]([NH2+]CCCN1CCCCC1)c1cccc(C#N)c1[O-] ZINC000866219497 638772782 /nfs/dbraw/zinc/77/27/82/638772782.db2.gz PRUGHCCZGMJEJN-CQSZACIVSA-N 0 1 287.407 2.790 20 30 CFEDMN C[C@@H](N[C@@H](C)c1csnn1)c1cccc(C#N)c1O ZINC000866374809 638808550 /nfs/dbraw/zinc/80/85/50/638808550.db2.gz NZAXEUZHQXTPSH-BDAKNGLRSA-N 0 1 274.349 2.527 20 30 CFEDMN N#C[C@H]1CC[C@H](NCc2noc3ccc(F)cc32)C1 ZINC000866510351 638832784 /nfs/dbraw/zinc/83/27/84/638832784.db2.gz AGKWTEZNMOSGIE-ONGXEEELSA-N 0 1 259.284 2.749 20 30 CFEDMN C[C@@H](N[C@@H](C)c1ccnn1C)c1ccc(C#N)c(F)c1 ZINC000866615247 638855178 /nfs/dbraw/zinc/85/51/78/638855178.db2.gz SLHXTMUHUDUQMY-MNOVXSKESA-N 0 1 272.327 2.843 20 30 CFEDMN C[C@H](N[C@@H](C)c1ccc(C#N)c(F)c1)c1ccnn1C ZINC000866615248 638855341 /nfs/dbraw/zinc/85/53/41/638855341.db2.gz SLHXTMUHUDUQMY-QWRGUYRKSA-N 0 1 272.327 2.843 20 30 CFEDMN C[C@@H](N[C@H](C)c1ccc(C#N)c(F)c1)c1ccnn1C ZINC000866615246 638855468 /nfs/dbraw/zinc/85/54/68/638855468.db2.gz SLHXTMUHUDUQMY-GHMZBOCLSA-N 0 1 272.327 2.843 20 30 CFEDMN N#Cc1ccc2c(c1)CCN[C@H]2C(=O)NC1CCCCCC1 ZINC000867953147 638908637 /nfs/dbraw/zinc/90/86/37/638908637.db2.gz OGHNRVRLYVVSTM-QGZVFWFLSA-N 0 1 297.402 2.584 20 30 CFEDMN C#CCCCCCOC(=O)Cc1n[nH]c2c1CCCC2 ZINC000869478413 639251377 /nfs/dbraw/zinc/25/13/77/639251377.db2.gz QUWXPEMXLFJTFQ-UHFFFAOYSA-N 0 1 274.364 2.568 20 30 CFEDMN CC(C)NC(=O)C(C#N)C(=O)[C@@H]1[C@@H](c2ccccc2)C1(C)C ZINC000870146557 639529365 /nfs/dbraw/zinc/52/93/65/639529365.db2.gz ZDOSMXPWSZLUNY-KFWWJZLASA-N 0 1 298.386 2.660 20 30 CFEDMN C#CCN1CCC(N(C)C(=O)[C@H]2CCCC(C)(C)C2)CC1 ZINC001006458715 650511346 /nfs/dbraw/zinc/51/13/46/650511346.db2.gz PFSSEOJWYJWVBW-HNNXBMFYSA-N 0 1 290.451 2.759 20 30 CFEDMN CCCCCCCCCN1CCN(C(C)=O)CC1 ZINC000191908241 650528379 /nfs/dbraw/zinc/52/83/79/650528379.db2.gz FGYJDJVCKZSDEZ-UHFFFAOYSA-N 0 1 254.418 2.901 20 30 CFEDMN CSCC(C)(C)C(=O)Nc1nc2ccc(C#N)cc2[nH]1 ZINC000871073255 641186596 /nfs/dbraw/zinc/18/65/96/641186596.db2.gz VIIIEAYGUYHVGP-UHFFFAOYSA-N 0 1 288.376 2.762 20 30 CFEDMN C#CCCCCC(=O)Nc1nc2ccc(C#N)cc2[nH]1 ZINC000871072990 641186800 /nfs/dbraw/zinc/18/68/00/641186800.db2.gz QABCLMXWIHOCMG-UHFFFAOYSA-N 0 1 266.304 2.567 20 30 CFEDMN CC(=O)C(C)(C)CCC(=O)Nc1nc2ccc(C#N)cc2[nH]1 ZINC000871073236 641186824 /nfs/dbraw/zinc/18/68/24/641186824.db2.gz URBFHKMRIDWJSM-UHFFFAOYSA-N 0 1 298.346 2.768 20 30 CFEDMN N#Cc1ccc2nc(NC(=O)[C@@H]3C[C@@H]4C=C[C@H]3CC4)[nH]c2c1 ZINC000871073242 641187208 /nfs/dbraw/zinc/18/72/08/641187208.db2.gz UWFZMMMMRIKEIP-KGYLQXTDSA-N 0 1 292.342 2.975 20 30 CFEDMN Cc1csc([C@H](C)NC[C@@H](O)c2ccc(C#N)cc2)n1 ZINC000080313846 650662656 /nfs/dbraw/zinc/66/26/56/650662656.db2.gz DSLBAGODWKEADO-SMDDNHRTSA-N 0 1 287.388 2.707 20 30 CFEDMN C=CCC[C@@H](CO)N[C@@H](C)c1c(F)cccc1[N+](=O)[O-] ZINC000872079170 641612062 /nfs/dbraw/zinc/61/20/62/641612062.db2.gz VUMSOEQAOLIFIY-QWRGUYRKSA-N 0 1 282.315 2.712 20 30 CFEDMN C=CCC[C@H](CO)N[C@H](C)c1c(F)cccc1[N+](=O)[O-] ZINC000872079168 641612481 /nfs/dbraw/zinc/61/24/81/641612481.db2.gz VUMSOEQAOLIFIY-GHMZBOCLSA-N 0 1 282.315 2.712 20 30 CFEDMN CN(C)[C@@H](CNC(=O)C#Cc1ccccc1)c1cccs1 ZINC000080490258 650683290 /nfs/dbraw/zinc/68/32/90/650683290.db2.gz WWHNGQYHKIMDOK-HNNXBMFYSA-N 0 1 298.411 2.519 20 30 CFEDMN CC[C@H](NC[C@H](C#N)CCC#N)[C@@H](O)c1ccccc1 ZINC000872252604 641719243 /nfs/dbraw/zinc/71/92/43/641719243.db2.gz UCKULXXKUVSYFO-BPUTZDHNSA-N 0 1 271.364 2.532 20 30 CFEDMN N#C[C@@H](C(=O)C[C@H]1CCCOC1)c1cnc2ccccc2n1 ZINC000193734332 650689448 /nfs/dbraw/zinc/68/94/48/650689448.db2.gz VDPQUJUHKPBWBW-CHWSQXEVSA-N 0 1 295.342 2.623 20 30 CFEDMN CC(C)C1N=NC(=S)N1N=Cc1ccc(F)c(F)c1O ZINC000872332802 641758234 /nfs/dbraw/zinc/75/82/34/641758234.db2.gz RKJMESBMJUWWME-UHFFFAOYSA-N 0 1 298.318 2.556 20 30 CFEDMN Cc1ccc(C=NNCCN2CCCCC2)c(F)c1 ZINC000872344166 641761378 /nfs/dbraw/zinc/76/13/78/641761378.db2.gz QCNIQMZIRAPLRP-UHFFFAOYSA-N 0 1 263.360 2.544 20 30 CFEDMN COCCc1ncc(CN=Nc2cc(Cl)ccn2)s1 ZINC000872362815 641769343 /nfs/dbraw/zinc/76/93/43/641769343.db2.gz GAXMRUJMDCBZNL-UHFFFAOYSA-N 0 1 296.783 2.826 20 30 CFEDMN CC[C@@H](C)CON=C1CCCN2CCSC[C@@H]12 ZINC000872376499 641780621 /nfs/dbraw/zinc/78/06/21/641780621.db2.gz HORUQVYVFNRSTP-YPMHNXCESA-N 0 1 256.415 2.616 20 30 CFEDMN Cc1cccc(NN=Cc2ccnn2CC2CCC2)n1 ZINC000872393020 641789057 /nfs/dbraw/zinc/78/90/57/641789057.db2.gz HZOHNCBYIJHORO-UHFFFAOYSA-N 0 1 269.352 2.833 20 30 CFEDMN CSc1nnc(SC)n1N=CC(C)(C)CCC#N ZINC000872417770 641803753 /nfs/dbraw/zinc/80/37/53/641803753.db2.gz NROCCCQDROMPDP-UHFFFAOYSA-N 0 1 283.426 2.886 20 30 CFEDMN N#Cc1c(F)cccc1CNC[C@H]1CSCCS1 ZINC000873074850 642005154 /nfs/dbraw/zinc/00/51/54/642005154.db2.gz PLXSCMVQLXYLSV-NSHDSACASA-N 0 1 282.409 2.636 20 30 CFEDMN CN1Cc2ccccc2[C@H]1CNCc1cccc(F)c1C#N ZINC000873152251 642032476 /nfs/dbraw/zinc/03/24/76/642032476.db2.gz HWBFZPKXMKOLFS-GOSISDBHSA-N 0 1 295.361 2.974 20 30 CFEDMN N#Cc1c(F)cccc1CNC[C@@H]1C[C@H]2CCC[C@H]2O1 ZINC000873155959 642038527 /nfs/dbraw/zinc/03/85/27/642038527.db2.gz QCJHUYGGUKWPAP-PVXIVEMSSA-N 0 1 274.339 2.745 20 30 CFEDMN CCC[C@H](CC)C(=O)C(C#N)C(=O)NCc1ccccc1 ZINC000873497454 642223011 /nfs/dbraw/zinc/22/30/11/642223011.db2.gz KYZAEWYADWAVFL-GJZGRUSLSA-N 0 1 286.375 2.838 20 30 CFEDMN N#CC(C(=O)Cc1csc(C2CC2)n1)c1ccccn1 ZINC000873497601 642223085 /nfs/dbraw/zinc/22/30/85/642223085.db2.gz NLKMOCQRKJTINT-LBPRGKRZSA-N 0 1 283.356 2.834 20 30 CFEDMN CCC[C@@H](CC)C(=O)C(C#N)C(=O)NCc1ccccc1 ZINC000873497453 642223155 /nfs/dbraw/zinc/22/31/55/642223155.db2.gz KYZAEWYADWAVFL-CABCVRRESA-N 0 1 286.375 2.838 20 30 CFEDMN CCC[C@@H](CC)C(=O)C(C#N)C(=O)NC1CCCC1 ZINC000873499126 642224068 /nfs/dbraw/zinc/22/40/68/642224068.db2.gz XYANMAKZMHGSJG-DGCLKSJQSA-N 0 1 264.369 2.580 20 30 CFEDMN C#Cc1cccc(N(C)C(=O)[C@@H]2CCN2C2CCCC2)c1 ZINC000874342761 642370791 /nfs/dbraw/zinc/37/07/91/642370791.db2.gz JIQWJMUJCKJKLN-KRWDZBQOSA-N 0 1 282.387 2.648 20 30 CFEDMN C#CCOc1ccc(NC(=O)[C@H]2CCN2C2CCCC2)cc1 ZINC000874445976 642386794 /nfs/dbraw/zinc/38/67/94/642386794.db2.gz SVNIIAZQEPMAQE-QGZVFWFLSA-N 0 1 298.386 2.654 20 30 CFEDMN CC[C@H](C#N)C(=O)Nc1nc2ccc(Cl)cc2[nH]1 ZINC000874691273 642451862 /nfs/dbraw/zinc/45/18/62/642451862.db2.gz WZBJKGPCVMXNPY-SSDOTTSWSA-N 0 1 262.700 2.705 20 30 CFEDMN C#C[C@H]1CC[C@H](NC(=O)c2cc3[nH]cnc3cc2F)CC1 ZINC000874861429 642533171 /nfs/dbraw/zinc/53/31/71/642533171.db2.gz GZEUGAYWTHICSW-XYPYZODXSA-N 0 1 285.322 2.624 20 30 CFEDMN C#C[C@H]1CC[C@H](NC(=O)c2cc(F)cc3nc[nH]c32)CC1 ZINC000874865315 642536960 /nfs/dbraw/zinc/53/69/60/642536960.db2.gz ODMNXLDYKDUOHM-UMSPYCQHSA-N 0 1 285.322 2.624 20 30 CFEDMN Cc1ccc(C(=O)C(C#N)c2nc3ccccc3[nH]2)nc1 ZINC000125910510 642848194 /nfs/dbraw/zinc/84/81/94/642848194.db2.gz BLBUUNXRRUTVCJ-LLVKDONJSA-N 0 1 276.299 2.756 20 30 CFEDMN CC[N@H+](Cc1ccc(F)c(F)c1[O-])C[C@H](C)C#N ZINC000876617440 642946675 /nfs/dbraw/zinc/94/66/75/642946675.db2.gz OIHXKQKEYXFIST-SECBINFHSA-N 0 1 254.280 2.652 20 30 CFEDMN C[C@@H](CCC#N)CN1CCN(C(=O)OC(C)(C)C)C[C@H]1C ZINC000876644353 642956459 /nfs/dbraw/zinc/95/64/59/642956459.db2.gz WAUJDSGZXQDCOB-UONOGXRCSA-N 0 1 295.427 2.867 20 30 CFEDMN CC(C)(C)CCCNC(=O)[C@H]1NCCc2cc(C#N)ccc21 ZINC000876675892 642968305 /nfs/dbraw/zinc/96/83/05/642968305.db2.gz IDKZBTNBCZWZFB-INIZCTEOSA-N 0 1 299.418 2.688 20 30 CFEDMN N#Cc1cnc(Cl)c(CNC[C@@H]2Cc3ccccc3O2)c1 ZINC000876916188 643063505 /nfs/dbraw/zinc/06/35/05/643063505.db2.gz NISSEDSSNNOIGU-AWEZNQCLSA-N 0 1 299.761 2.700 20 30 CFEDMN CCCCCCCNC(=O)[C@H](N)Cc1cccc(OC)c1 ZINC000876988384 643094400 /nfs/dbraw/zinc/09/44/00/643094400.db2.gz CYDXLEPHHPADHB-MRXNPFEDSA-N 0 1 292.423 2.652 20 30 CFEDMN CCCCCCCNC(=O)c1cc(C(C)(C)N)no1 ZINC000876989265 643095495 /nfs/dbraw/zinc/09/54/95/643095495.db2.gz WUUSJZRBXXGXBQ-UHFFFAOYSA-N 0 1 267.373 2.569 20 30 CFEDMN C=CC[C@H](NCc1cnc(OC)s1)c1ccncc1 ZINC000877046281 643119402 /nfs/dbraw/zinc/11/94/02/643119402.db2.gz KYORIJSLPXCAAK-ZDUSSCGKSA-N 0 1 275.377 2.954 20 30 CFEDMN C[C@@]1(NCc2cc(C#N)cnc2Cl)CCO[C@H]1C1CC1 ZINC000877317030 643235859 /nfs/dbraw/zinc/23/58/59/643235859.db2.gz UQZRIKMLCROQAB-DZGCQCFKSA-N 0 1 291.782 2.654 20 30 CFEDMN COC[C@@H]1CCCCN(Cc2cc(C#N)cnc2Cl)C1 ZINC000877396448 643258298 /nfs/dbraw/zinc/25/82/98/643258298.db2.gz XIGRXROJURBOLT-GFCCVEGCSA-N 0 1 293.798 2.855 20 30 CFEDMN C#C[C@H](C)N(C)Cc1cn(C)nc1-c1cc(F)ccc1F ZINC000877480531 643296705 /nfs/dbraw/zinc/29/67/05/643296705.db2.gz YFHNQEUGEJGTKC-NSHDSACASA-N 0 1 289.329 2.819 20 30 CFEDMN C#C[C@@H](N[C@H](C)Cc1cnccn1)c1ccc(F)cc1 ZINC000877544546 643346311 /nfs/dbraw/zinc/34/63/11/643346311.db2.gz QTDCYPRMCISMQX-MLGOLLRUSA-N 0 1 269.323 2.511 20 30 CFEDMN C[C@H](CCC#N)CN1CCc2c(nnn2-c2ccccc2)C1 ZINC000877548549 643349231 /nfs/dbraw/zinc/34/92/31/643349231.db2.gz LXGGGTDUGFHCIP-CQSZACIVSA-N 0 1 295.390 2.565 20 30 CFEDMN C=C[C@@H]1OCCC[C@H]1NCc1nc(Cl)cs1 ZINC000877569548 643367947 /nfs/dbraw/zinc/36/79/47/643367947.db2.gz TYKMOIYCPFXMHH-BDAKNGLRSA-N 0 1 258.774 2.620 20 30 CFEDMN C#CC1CCN(Cc2c(OC)cc(F)cc2OC)CC1 ZINC000877606829 643394488 /nfs/dbraw/zinc/39/44/88/643394488.db2.gz MBKLNQRQDSWFBS-UHFFFAOYSA-N 0 1 277.339 2.688 20 30 CFEDMN C#C[C@@H]1CCCN(Cc2ccnn2CC2CCC2)C1 ZINC000877616554 643402078 /nfs/dbraw/zinc/40/20/78/643402078.db2.gz DTPGIXCJSUSPSB-CQSZACIVSA-N 0 1 257.381 2.528 20 30 CFEDMN C#CC[C@@H]1CCN(Cc2c(OC)cc(F)cc2OC)C1 ZINC000877650018 643430992 /nfs/dbraw/zinc/43/09/92/643430992.db2.gz CTGUZHYDFBJWCW-GFCCVEGCSA-N 0 1 277.339 2.688 20 30 CFEDMN C#CCOc1ccccc1CN1CC(COC)(C2CC2)C1 ZINC000877686304 643455365 /nfs/dbraw/zinc/45/53/65/643455365.db2.gz NDZWCGGHYCRSFV-UHFFFAOYSA-N 0 1 285.387 2.557 20 30 CFEDMN C=CC[C@H](C)N1CCN(C(=O)c2ccc(F)c(F)c2)CC1 ZINC000877918332 643640931 /nfs/dbraw/zinc/64/09/31/643640931.db2.gz GQXUIWBMHZGPAQ-LBPRGKRZSA-N 0 1 294.345 2.687 20 30 CFEDMN C=CC(C)(C)CC(=O)Nc1nc(-c2ccco2)n[nH]1 ZINC000878093781 643731449 /nfs/dbraw/zinc/73/14/49/643731449.db2.gz CXUGSZHJGITFLJ-UHFFFAOYSA-N 0 1 260.297 2.606 20 30 CFEDMN CC(C)[C@H](C#N)N1CCN(CC[C@H]2CCCC2(F)F)CC1 ZINC000878310340 643833257 /nfs/dbraw/zinc/83/32/57/643833257.db2.gz KJSXRWKUOJTOEE-CABCVRRESA-N 0 1 299.409 2.978 20 30 CFEDMN C=CC[C@H](C(=O)OC)N1CC[C@@H](COc2ccccc2)C1 ZINC000878391583 643869499 /nfs/dbraw/zinc/86/94/99/643869499.db2.gz OCFJAPKRABLKTD-GDBMZVCRSA-N 0 1 289.375 2.505 20 30 CFEDMN C[C@H]1[C@@H](NC(=O)OC(C)(C)C)CCN1CC1(CC#N)CC1 ZINC000878618842 643959643 /nfs/dbraw/zinc/95/96/43/643959643.db2.gz RTFSMVJRWGKTRO-STQMWFEESA-N 0 1 293.411 2.668 20 30 CFEDMN C#CCCCCCN1CCc2c(nnn2-c2ccccc2)C1 ZINC000878648291 643973799 /nfs/dbraw/zinc/97/37/99/643973799.db2.gz OTFOBYROTJLIHJ-UHFFFAOYSA-N 0 1 294.402 2.819 20 30 CFEDMN C#CCCCCCN(C1CC1)C1(C(=O)OC)CCC1 ZINC000878715798 644003451 /nfs/dbraw/zinc/00/34/51/644003451.db2.gz CPXJERXPIXHGBP-UHFFFAOYSA-N 0 1 263.381 2.740 20 30 CFEDMN C#CCCCCCN[C@H](C)c1ncc(C(=O)OC)s1 ZINC000878727016 644009406 /nfs/dbraw/zinc/00/94/06/644009406.db2.gz KOBHXVROFCHZNE-LLVKDONJSA-N 0 1 280.393 2.774 20 30 CFEDMN C#CC[C@@H]1CCCN(Cc2nnc(-c3cccc(O)c3)o2)C1 ZINC000878761674 644017657 /nfs/dbraw/zinc/01/76/57/644017657.db2.gz QSRJQXQCENFEFO-CYBMUJFWSA-N 0 1 297.358 2.678 20 30 CFEDMN N#CCOc1ccc(CN2CCC[C@H]2c2cn[nH]c2)cc1 ZINC000878877080 644059120 /nfs/dbraw/zinc/05/91/20/644059120.db2.gz BLPZDRWPCAIZBJ-INIZCTEOSA-N 0 1 282.347 2.649 20 30 CFEDMN C#CCCCCCN1CCOc2ccc(O)cc2C1 ZINC000878992406 644101665 /nfs/dbraw/zinc/10/16/65/644101665.db2.gz XRLXBJITFJBSDC-UHFFFAOYSA-N 0 1 259.349 2.780 20 30 CFEDMN Cc1ccc(O[C@H]2CCN(CC3(CC#N)CC3)C2)nc1 ZINC000879057406 644126943 /nfs/dbraw/zinc/12/69/43/644126943.db2.gz LIORSPJEYGXRCA-AWEZNQCLSA-N 0 1 271.364 2.537 20 30 CFEDMN C=CCCC[C@H](C(=O)NCc1c[nH]nn1)c1ccccc1 ZINC000879067823 644131726 /nfs/dbraw/zinc/13/17/26/644131726.db2.gz NNZXXVFBSGDNQL-HNNXBMFYSA-N 0 1 284.363 2.561 20 30 CFEDMN C=CCCC[C@H](C(=O)NOCCOC)c1ccccc1 ZINC000879088416 644138702 /nfs/dbraw/zinc/13/87/02/644138702.db2.gz UYEMHYQKZSWVAG-HNNXBMFYSA-N 0 1 277.364 2.821 20 30 CFEDMN N#Cc1ccc(C[N@@H+]2CCC[C@@H]2[C@H](O)c2ccccc2)nc1 ZINC000879241621 644187253 /nfs/dbraw/zinc/18/72/53/644187253.db2.gz AMJFHNGUMWKNLH-QZTJIDSGSA-N 0 1 293.370 2.651 20 30 CFEDMN CN(CCCNC(=O)OC(C)(C)C)[C@H]1CCC[C@H]1C#N ZINC000879309724 644217172 /nfs/dbraw/zinc/21/71/72/644217172.db2.gz PTAKHSKZFHUARP-STQMWFEESA-N 0 1 281.400 2.525 20 30 CFEDMN CN(CCCOc1ccc(C#N)cc1)[C@H]1CCC[C@H]1C#N ZINC000879308529 644217494 /nfs/dbraw/zinc/21/74/94/644217494.db2.gz PYAXWYJEMJQPTL-RDJZCZTQSA-N 0 1 283.375 2.951 20 30 CFEDMN COc1ccccc1OCCN(C)Cc1ccc(C#N)o1 ZINC000091899858 650911736 /nfs/dbraw/zinc/91/17/36/650911736.db2.gz NSTLJXVOEZBYRG-UHFFFAOYSA-N 0 1 286.331 2.671 20 30 CFEDMN N#CCCCCN1CCN(c2ccc(F)cc2F)CC1 ZINC000879596377 644344061 /nfs/dbraw/zinc/34/40/61/644344061.db2.gz KAPSMZCORFVGHD-UHFFFAOYSA-N 0 1 279.334 2.781 20 30 CFEDMN CC#CCN[C@@H](COC)c1cccc(Br)c1 ZINC000879662258 644369921 /nfs/dbraw/zinc/36/99/21/644369921.db2.gz VPIVLHLSJNHRHF-ZDUSSCGKSA-N 0 1 282.181 2.750 20 30 CFEDMN C=C(CC)CN1Cc2cccnc2N2CCC[C@H]2C1 ZINC000879691437 644384870 /nfs/dbraw/zinc/38/48/70/644384870.db2.gz YQYNAOOPHUEVKM-HNNXBMFYSA-N 0 1 257.381 2.832 20 30 CFEDMN C=C(Br)CN1CCC[C@@H]1CSC ZINC000128160647 644507946 /nfs/dbraw/zinc/50/79/46/644507946.db2.gz VIGPGSOPIXEPQG-SECBINFHSA-N 0 1 250.205 2.722 20 30 CFEDMN C=C(CC)CN1CC[C@@H](C(F)(F)F)O[C@@H](C)C1 ZINC000880061820 644518939 /nfs/dbraw/zinc/51/89/39/644518939.db2.gz BGSOCQCBRLSABN-QWRGUYRKSA-N 0 1 251.292 2.994 20 30 CFEDMN CCC#C[C@H](C)N1CC[C@H](C(F)(F)F)O[C@@H](C)C1 ZINC000880062477 644518960 /nfs/dbraw/zinc/51/89/60/644518960.db2.gz MYRNMVCYZPPYBF-SDDRHHMPSA-N 0 1 263.303 2.830 20 30 CFEDMN C[C@@H]1CN(CC2(CC#N)CC2)CC[C@H](C(F)(F)F)O1 ZINC000880064650 644520115 /nfs/dbraw/zinc/52/01/15/644520115.db2.gz ONCLGMGJCGACIY-GHMZBOCLSA-N 0 1 276.302 2.722 20 30 CFEDMN C[C@@H](C(=O)Nc1cccc(C#N)c1)N1CCC[C@H](CF)C1 ZINC000880233864 644594365 /nfs/dbraw/zinc/59/43/65/644594365.db2.gz OGMNMHRCSAIDGM-GXTWGEPZSA-N 0 1 289.354 2.567 20 30 CFEDMN C=CCCC[C@@H](C(=O)NOC(C)(C)CO)c1ccccc1 ZINC000880264991 644619987 /nfs/dbraw/zinc/61/99/87/644619987.db2.gz PCIOIXFVVWOXRR-OAHLLOKOSA-N 0 1 291.391 2.945 20 30 CFEDMN C=CCN1CC[C@@H](c2nc(C)c(C(=O)OCC)s2)C1 ZINC000880324065 644655812 /nfs/dbraw/zinc/65/58/12/644655812.db2.gz YOKFUVZCFRZRRJ-LLVKDONJSA-N 0 1 280.393 2.604 20 30 CFEDMN COC(=O)c1ccc2c(c1)CCN([C@@H](C)CCC#N)C2 ZINC000880351785 644663111 /nfs/dbraw/zinc/66/31/11/644663111.db2.gz DMFBFQHMZCZKBA-LBPRGKRZSA-N 0 1 272.348 2.524 20 30 CFEDMN CC(C)C(N)=NOCc1ncc(Cl)cc1Cl ZINC000128403165 644700791 /nfs/dbraw/zinc/70/07/91/644700791.db2.gz NNEAWYJXSFXOBD-UHFFFAOYSA-N 0 1 262.140 2.833 20 30 CFEDMN CCc1ccc(NC(=O)C(C#N)C(=O)[C@H]2C[C@@H]2C)cc1 ZINC000128475430 644745418 /nfs/dbraw/zinc/74/54/18/644745418.db2.gz DNGDWEADAYRNGA-BPNCWPANSA-N 0 1 270.332 2.552 20 30 CFEDMN COc1ccc(CN(CCO)Cc2ccc(C#N)cc2)cc1 ZINC000880570167 644769935 /nfs/dbraw/zinc/76/99/35/644769935.db2.gz QZNXZQVBXUABGE-UHFFFAOYSA-N 0 1 296.370 2.561 20 30 CFEDMN C=CCCCCCNC(=O)[C@H]1c2cn[nH]c2CC[C@H]1C ZINC000880618746 644789216 /nfs/dbraw/zinc/78/92/16/644789216.db2.gz YCHJWBTXVZYUCR-IUODEOHRSA-N 0 1 275.396 2.938 20 30 CFEDMN C=CCCONC(=O)C(C)(C)c1ccc(F)cc1F ZINC000880725106 644817278 /nfs/dbraw/zinc/81/72/78/644817278.db2.gz NUYVGYRLNLVDSN-UHFFFAOYSA-N 0 1 269.291 2.866 20 30 CFEDMN C=C1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1c2cn[nH]c2CC[C@@H]1C ZINC000880749695 644826763 /nfs/dbraw/zinc/82/67/63/644826763.db2.gz OGUUXZXDBKGTJI-JFILPPLUSA-N 0 1 285.391 2.785 20 30 CFEDMN Cc1ccsc1CCCC(=O)C(C#N)C(=O)NC(C)C ZINC000129444649 645208203 /nfs/dbraw/zinc/20/82/03/645208203.db2.gz JLAMLCDSNPNVOI-GFCCVEGCSA-N 0 1 292.404 2.613 20 30 CFEDMN C=C[C@@H](CC(=O)NC[C@H]1CCN1CC)c1ccccc1 ZINC000882488987 645341879 /nfs/dbraw/zinc/34/18/79/645341879.db2.gz KMAAWIBKVSTQFN-GOEBONIOSA-N 0 1 272.392 2.557 20 30 CFEDMN C=CC[C@H](C(=O)NC[C@H]1CCN1CC)c1ccccc1 ZINC000882493017 645343501 /nfs/dbraw/zinc/34/35/01/645343501.db2.gz WUFGJARTVHDFKT-CVEARBPZSA-N 0 1 272.392 2.557 20 30 CFEDMN C[C@H](c1ccccc1)N1CCN(c2ccnc(C#N)c2)CC1 ZINC000882810370 645468288 /nfs/dbraw/zinc/46/82/88/645468288.db2.gz IIHOQCLAOLNSKA-OAHLLOKOSA-N 0 1 292.386 2.836 20 30 CFEDMN C=CCC[C@@H](CO)[NH2+]Cc1c([O-])cc(C)cc1Cl ZINC000883138689 645622353 /nfs/dbraw/zinc/62/23/53/645622353.db2.gz MEGNCUBWZOOOHJ-NSHDSACASA-N 0 1 269.772 2.771 20 30 CFEDMN C=CCC[C@H](NCc1cscn1)[C@@H]1CCCO1 ZINC000883182556 645646009 /nfs/dbraw/zinc/64/60/09/645646009.db2.gz FSDMJFGPRJMYSV-STQMWFEESA-N 0 1 252.383 2.747 20 30 CFEDMN C=CCC[C@H](NCc1ncccc1F)[C@@H]1CCCO1 ZINC000883207854 645664521 /nfs/dbraw/zinc/66/45/21/645664521.db2.gz UKCNJBJHNAWYLQ-ZFWWWQNUSA-N 0 1 264.344 2.824 20 30 CFEDMN C=CCC[C@H](NCc1csc(COC)n1)[C@@H]1CCCO1 ZINC000883222987 645673681 /nfs/dbraw/zinc/67/36/81/645673681.db2.gz FWJFYFOUZJPIDT-KBPBESRZSA-N 0 1 296.436 2.893 20 30 CFEDMN C=CCC[C@H](NCc1coc(CC)n1)[C@H]1CCCO1 ZINC000883227260 645677323 /nfs/dbraw/zinc/67/73/23/645677323.db2.gz OAJIDJAIPOTNMS-UONOGXRCSA-N 0 1 264.369 2.840 20 30 CFEDMN C=C(C)C[C@H](CO)N[C@@H](C)c1nc(C)sc1C ZINC000883390141 645788644 /nfs/dbraw/zinc/78/86/44/645788644.db2.gz GMZZJZIWKDMGIH-JOYOIKCWSA-N 0 1 254.399 2.738 20 30 CFEDMN C=C(C)C[C@H](CO)NCc1cc(F)c(F)cc1F ZINC000883400416 645796489 /nfs/dbraw/zinc/79/64/89/645796489.db2.gz MCYLMMVLWCGKBF-SNVBAGLBSA-N 0 1 259.271 2.521 20 30 CFEDMN C=C(C)C[C@@H](CO)NCc1cc(F)c(F)cc1F ZINC000883400415 645796642 /nfs/dbraw/zinc/79/66/42/645796642.db2.gz MCYLMMVLWCGKBF-JTQLQIEISA-N 0 1 259.271 2.521 20 30 CFEDMN N#Cc1ccc(O)c(NC(=O)c2cc3occc3[nH]2)c1 ZINC000133564473 646159307 /nfs/dbraw/zinc/15/93/07/646159307.db2.gz NOSXJCWJLQYIAB-UHFFFAOYSA-N 0 1 267.244 2.590 20 30 CFEDMN Cc1ccc(NN=Cc2cccc3c2CCOC3)nc1 ZINC000884425730 646349875 /nfs/dbraw/zinc/34/98/75/646349875.db2.gz QAEQKMMTCNFHEF-UHFFFAOYSA-N 0 1 267.332 2.909 20 30 CFEDMN C=CC(C)(C)CC(=O)O[C@H](C)c1n[nH]c(CC)n1 ZINC000884648748 646507348 /nfs/dbraw/zinc/50/73/48/646507348.db2.gz GYPKSAVXIVPRFL-SECBINFHSA-N 0 1 251.330 2.574 20 30 CFEDMN C=C(Br)COC(=O)[C@H]1c2cn[nH]c2CC[C@H]1C ZINC000885263310 646652784 /nfs/dbraw/zinc/65/27/84/646652784.db2.gz SCYVPOPZTDCJHG-RDDDGLTNSA-N 0 1 299.168 2.527 20 30 CFEDMN C#CCCCCCOC(=O)C1CCCN(C(C)(C)C)C1=O ZINC000885481404 646695450 /nfs/dbraw/zinc/69/54/50/646695450.db2.gz PXVDMLOARLVYET-CQSZACIVSA-N 0 1 293.407 2.760 20 30 CFEDMN C=CCn1ncc2ccc(NC(=O)CN(C)C3CCC3)cc21 ZINC000885572365 646708622 /nfs/dbraw/zinc/70/86/22/646708622.db2.gz DRUVRIFANJVDJQ-UHFFFAOYSA-N 0 1 298.390 2.645 20 30 CFEDMN C#Cc1ccc(NC(=O)C[N@H+](C)C2CCC2)c(Cl)c1 ZINC000885669621 646733778 /nfs/dbraw/zinc/73/37/78/646733778.db2.gz JZXBUJQNOXKBBR-UHFFFAOYSA-N 0 1 276.767 2.744 20 30 CFEDMN C#Cc1ccc(NC(=O)CN(C)C2CCC2)c(Cl)c1 ZINC000885669621 646733781 /nfs/dbraw/zinc/73/37/81/646733781.db2.gz JZXBUJQNOXKBBR-UHFFFAOYSA-N 0 1 276.767 2.744 20 30 CFEDMN N#CC1(C[C@@H](O)CN2CCc3sccc3C2)CCC1 ZINC000885941545 646776889 /nfs/dbraw/zinc/77/68/89/646776889.db2.gz BVKHWFJFSKQKTO-CYBMUJFWSA-N 0 1 276.405 2.551 20 30 CFEDMN C#CC[C@H]1CCN(CC(=O)Nc2c(C)cccc2CC)C1 ZINC000886356276 646985275 /nfs/dbraw/zinc/98/52/75/646985275.db2.gz XHKKRPGQVRDZLI-HNNXBMFYSA-N 0 1 284.403 2.841 20 30 CFEDMN C#CC[C@H]1CCN(CC(=O)Nc2cccc(Cl)c2C)C1 ZINC000886356351 646985504 /nfs/dbraw/zinc/98/55/04/646985504.db2.gz YIDKAXMLCXINQG-ZDUSSCGKSA-N 0 1 290.794 2.932 20 30 CFEDMN C#CC[C@@H]1CCN([C@@H](C)C(=O)Nc2cc(F)ccc2C)C1 ZINC000886356332 646985530 /nfs/dbraw/zinc/98/55/30/646985530.db2.gz YCHNDBWJSQIVSO-UONOGXRCSA-N 0 1 288.366 2.806 20 30 CFEDMN C#CC[C@H]1CCN([C@@H](C)c2cn(-c3ccccc3)nn2)C1 ZINC000886359596 646987171 /nfs/dbraw/zinc/98/71/71/646987171.db2.gz GEDQFJGMABEQQF-GJZGRUSLSA-N 0 1 280.375 2.674 20 30 CFEDMN COc1ccc(CN[C@@H]2CCc3cccnc32)cc1C#N ZINC000886553352 647044688 /nfs/dbraw/zinc/04/46/88/647044688.db2.gz KZXWBHYMNMBVBG-OAHLLOKOSA-N 0 1 279.343 2.739 20 30 CFEDMN N#Cc1ccc(F)cc1CN1CC[C@@H]([C@H]2CCCO2)C1 ZINC000886829769 647154880 /nfs/dbraw/zinc/15/48/80/647154880.db2.gz GUWQEQLFWFLZGO-CZUORRHYSA-N 0 1 274.339 2.698 20 30 CFEDMN COc1cc2c(cc1O)CCN(CCC(C)(C)C#N)C2 ZINC000887106729 647216313 /nfs/dbraw/zinc/21/63/13/647216313.db2.gz LGSJMCZRJUPZBH-UHFFFAOYSA-N 0 1 274.364 2.699 20 30 CFEDMN CCCCCCCC[C@H](CO)NC(=O)c1[nH]nc(C)c1C ZINC000889695354 647655372 /nfs/dbraw/zinc/65/53/72/647655372.db2.gz JUZKZUVTDNWGAZ-CQSZACIVSA-N 0 1 295.427 2.868 20 30 CFEDMN C[C@@H](CC(C)(C)C#N)NCc1cn2ccccc2n1 ZINC000924569789 647996789 /nfs/dbraw/zinc/99/67/89/647996789.db2.gz JOAITUJNYMGXKF-LBPRGKRZSA-N 0 1 256.353 2.752 20 30 CFEDMN C[C@H](CC(C)(C)C#N)N[C@@H](C)c1nnc2ccccn21 ZINC000924588900 648002212 /nfs/dbraw/zinc/00/22/12/648002212.db2.gz MVIPKVQPRVNLTE-NEPJUHHUSA-N 0 1 271.368 2.708 20 30 CFEDMN C[C@H](N[C@@H](C)c1ccnnc1)c1ccc(C#N)cc1 ZINC000924784971 648047330 /nfs/dbraw/zinc/04/73/30/648047330.db2.gz KAGIAADVCNHBNY-RYUDHWBXSA-N 0 1 252.321 2.760 20 30 CFEDMN C#C[C@H](N[C@H](C)c1ccc(C(C)(C)O)cc1)[C@@H]1CCCO1 ZINC000926210877 648435889 /nfs/dbraw/zinc/43/58/89/648435889.db2.gz QMKGBEFTFXWRAM-COXVUDFISA-N 0 1 287.403 2.745 20 30 CFEDMN Cc1ncccc1NC(=O)[C@H](C)N[C@H](C)CC(C)(C)C#N ZINC000926558724 648532841 /nfs/dbraw/zinc/53/28/41/648532841.db2.gz JJRYIBBRZGLKTG-YPMHNXCESA-N 0 1 288.395 2.635 20 30 CFEDMN C[C@@H](NCC1(C#N)CCC1)c1cccc(-n2cnnc2)c1 ZINC000926627436 648554969 /nfs/dbraw/zinc/55/49/69/648554969.db2.gz OTPHVMIOMFXSDT-CYBMUJFWSA-N 0 1 281.363 2.612 20 30 CFEDMN C=C(C)C[C@@H](CO)N[C@@H]1COCc2cccc(Cl)c21 ZINC000926866049 648638380 /nfs/dbraw/zinc/63/83/80/648638380.db2.gz VBTWOLVIUUFYRF-GXTWGEPZSA-N 0 1 281.783 2.828 20 30 CFEDMN C[C@H](CC(C)(C)C#N)NCc1nc2c(s1)COCC2 ZINC000927114913 648716358 /nfs/dbraw/zinc/71/63/58/648716358.db2.gz JMHKBJGNMJSBHQ-SNVBAGLBSA-N 0 1 279.409 2.634 20 30 CFEDMN N#C[C@@H]1CCCN(C(=O)c2cc(-c3cccs3)[nH]n2)C1 ZINC000928226330 648878304 /nfs/dbraw/zinc/87/83/04/648878304.db2.gz MFQANHSCXUPRQE-JTQLQIEISA-N 0 1 286.360 2.514 20 30 CFEDMN C#CCN1CCC(NC(=O)C2(CC(C)C)CCCC2)CC1 ZINC000928656181 648938769 /nfs/dbraw/zinc/93/87/69/648938769.db2.gz NTFYHVBBYFOVHI-UHFFFAOYSA-N 0 1 290.451 2.807 20 30 CFEDMN CN(CCOc1ccccc1F)Cc1cncc(C#N)c1 ZINC000929188882 648998377 /nfs/dbraw/zinc/99/83/77/648998377.db2.gz HUQDBIBJUFSRGY-UHFFFAOYSA-N 0 1 285.322 2.603 20 30 CFEDMN CN(CCCOc1ccc(F)cc1)Cc1cncc(C#N)c1 ZINC000929251456 649013373 /nfs/dbraw/zinc/01/33/73/649013373.db2.gz BWPQILVBNBAKFM-UHFFFAOYSA-N 0 1 299.349 2.993 20 30 CFEDMN CC[C@H]1CN(CCCCC2(C#N)CCC2)CCO1 ZINC000929256546 649015785 /nfs/dbraw/zinc/01/57/85/649015785.db2.gz CTCXVECJRCXZNC-AWEZNQCLSA-N 0 1 250.386 2.961 20 30 CFEDMN N#CC1(CCCCN2CCN(CC(F)F)CC2)CCC1 ZINC000929416852 649046885 /nfs/dbraw/zinc/04/68/85/649046885.db2.gz UDZSASCLNFESJJ-UHFFFAOYSA-N 0 1 285.382 2.733 20 30 CFEDMN C=C1CC[NH+](C[C@@H](C)C(=O)c2ccc([O-])cc2)CC1 ZINC000929602773 649076289 /nfs/dbraw/zinc/07/62/89/649076289.db2.gz BZGBUKTUZPLIKW-CYBMUJFWSA-N 0 1 259.349 2.863 20 30 CFEDMN CCc1ccc([C@@H]2C[C@H](C)CCN2C[C@H](O)CC#N)o1 ZINC000929759810 649113725 /nfs/dbraw/zinc/11/37/25/649113725.db2.gz MONORBNFNLMIKS-NFAWXSAZSA-N 0 1 276.380 2.890 20 30 CFEDMN N#Cc1cncc(CN2CCC[C@@H]2C[C@@H](O)c2ccco2)c1 ZINC000929830159 649133969 /nfs/dbraw/zinc/13/39/69/649133969.db2.gz AUJOKTARJAWUKS-HZPDHXFCSA-N 0 1 297.358 2.634 20 30 CFEDMN C[C@@H](O)C[C@@H]1CCC[N@H+]1Cc1cc(Cl)cc(C#N)c1 ZINC000930081254 649180370 /nfs/dbraw/zinc/18/03/70/649180370.db2.gz JCWFKTCBQWIHFJ-ABAIWWIYSA-N 0 1 278.783 2.947 20 30 CFEDMN N#CC1CCC(CN2CCOC[C@H]2CC(F)F)CC1 ZINC000930468548 649255343 /nfs/dbraw/zinc/25/53/43/649255343.db2.gz DKONAYMPLIUNQJ-WXRRBKDZSA-N 0 1 272.339 2.672 20 30 CFEDMN CC(C)(C#N)CCN[C@H]1c2sccc2OC(C)(C)[C@@H]1O ZINC000930550537 649272060 /nfs/dbraw/zinc/27/20/60/649272060.db2.gz MAGPNWYMCRIJGK-WCQYABFASA-N 0 1 294.420 2.851 20 30 CFEDMN CCOC(=O)/C=C\CN(C)[C@H](C)c1cccc(C#N)c1 ZINC000930763670 649322383 /nfs/dbraw/zinc/32/23/83/649322383.db2.gz GZQNALWLPWVKDY-OYVUYXNMSA-N 0 1 272.348 2.670 20 30 CFEDMN C#CC1CC[NH+](C[C@@H](C)C(=O)c2ccc([O-])cc2)CC1 ZINC000930822314 649331916 /nfs/dbraw/zinc/33/19/16/649331916.db2.gz VARDIUXJYMANNG-CYBMUJFWSA-N 0 1 271.360 2.556 20 30 CFEDMN C#C[C@@H]1CCC[N@H+](C[C@@H]2CCC[C@H](C(F)(F)F)O2)C1 ZINC000930884291 649343691 /nfs/dbraw/zinc/34/36/91/649343691.db2.gz CCPWLUJJABURQY-FRRDWIJNSA-N 0 1 275.314 2.832 20 30 CFEDMN Cc1noc([C@@H](C)N(C)CC2CCC(C#N)CC2)n1 ZINC000930889503 649344161 /nfs/dbraw/zinc/34/41/61/649344161.db2.gz QRONGIBESDQYEV-QFWMXSHPSA-N 0 1 262.357 2.701 20 30 CFEDMN CN(c1ccccc1)[C@H]1CCN(Cc2cncc(C#N)c2)C1 ZINC000931059487 649372151 /nfs/dbraw/zinc/37/21/51/649372151.db2.gz LBDAKTNYTWIRRV-SFHVURJKSA-N 0 1 292.386 2.664 20 30 CFEDMN C[C@@H]1CN(Cc2cc(Cl)cc(C#N)c2)C[C@@]1(C)CO ZINC000931066399 649373775 /nfs/dbraw/zinc/37/37/75/649373775.db2.gz OYLVHRXLFBWLMJ-ABAIWWIYSA-N 0 1 278.783 2.662 20 30 CFEDMN CN(C)CC#CCNC(=O)Nc1ccc(C2CCC2)cc1 ZINC000931111617 649381620 /nfs/dbraw/zinc/38/16/20/649381620.db2.gz FNQPLXXSECLAPA-UHFFFAOYSA-N 0 1 285.391 2.641 20 30 CFEDMN C#CC1(O)CCN([C@H](C)c2ccccc2Cl)CC1 ZINC000931141997 649385536 /nfs/dbraw/zinc/38/55/36/649385536.db2.gz LBUICLDVPLLDHL-GFCCVEGCSA-N 0 1 263.768 2.861 20 30 CFEDMN C#CC1(O)CCN(Cc2cccc(C(F)F)c2)CC1 ZINC000931150184 649386284 /nfs/dbraw/zinc/38/62/84/649386284.db2.gz YNWDHWGXUKKSCS-UHFFFAOYSA-N 0 1 265.303 2.584 20 30 CFEDMN CC(C)(C#N)CCCN1CCN(Cc2cncs2)CC1 ZINC000931361822 649415159 /nfs/dbraw/zinc/41/51/59/649415159.db2.gz QTDPHNNUHZAWEK-UHFFFAOYSA-N 0 1 292.452 2.591 20 30 CFEDMN C[C@@H]1CN(CCCOc2cccc(C#N)c2)Cc2c[nH]nc21 ZINC000931458272 649432057 /nfs/dbraw/zinc/43/20/57/649432057.db2.gz QNTSFUXTHHHREC-CYBMUJFWSA-N 0 1 296.374 2.670 20 30 CFEDMN Cc1ncc([C@H](C)NCc2cncc(C#N)c2)s1 ZINC000931468345 649435723 /nfs/dbraw/zinc/43/57/23/649435723.db2.gz XDYHBFGAUVUOFB-VIFPVBQESA-N 0 1 258.350 2.569 20 30 CFEDMN N#Cc1cc(Cl)ccc1CN1CCc2nccc(N)c2C1 ZINC000931519008 649446614 /nfs/dbraw/zinc/44/66/14/649446614.db2.gz QAUQPAAYHWGCFS-UHFFFAOYSA-N 0 1 298.777 2.747 20 30 CFEDMN C#CCC1(NCc2c(F)ccc(C)c2F)CCOCC1 ZINC000931760228 649485538 /nfs/dbraw/zinc/48/55/38/649485538.db2.gz GPWWZFIWQVIYAZ-UHFFFAOYSA-N 0 1 279.330 2.935 20 30 CFEDMN N#Cc1cncc(CN2C[C@@H]3C[C@]3(c3ccccc3)C2)c1 ZINC000931921517 649510657 /nfs/dbraw/zinc/51/06/57/649510657.db2.gz AFWFXZDWWHWGRR-ZWKOTPCHSA-N 0 1 275.355 2.727 20 30 CFEDMN CC(C)(C)OC(=O)N[C@H]1CCCN([C@H]2CC[C@@H](C#N)C2)C1 ZINC000931983804 649520886 /nfs/dbraw/zinc/52/08/86/649520886.db2.gz MOHMPYKJVFECSE-RDBSUJKOSA-N 0 1 293.411 2.668 20 30 CFEDMN CC#CCN[C@@H]1CN(Cc2ccccc2)C[C@H]1C(F)(F)F ZINC000932066670 649530484 /nfs/dbraw/zinc/53/04/84/649530484.db2.gz HKWDTSPKXYYACM-HUUCEWRRSA-N 0 1 296.336 2.662 20 30 CFEDMN CC(C)(C)C(=O)N1CCC(CN2CCC[C@@H](C#N)C2)CC1 ZINC000932152060 649551567 /nfs/dbraw/zinc/55/15/67/649551567.db2.gz GPGUEHIQAPPHTA-HNNXBMFYSA-N 0 1 291.439 2.507 20 30 CFEDMN CO[C@H](CN1CCC[C@@H](C#N)C1)C1CCCCC1 ZINC000932150958 649551619 /nfs/dbraw/zinc/55/16/19/649551619.db2.gz FPUOFEFAMOQFGT-DZGCQCFKSA-N 0 1 250.386 2.817 20 30 CFEDMN CO[C@H](CN1CCC[C@H](C#N)C1)C1CCCCC1 ZINC000932150960 649551635 /nfs/dbraw/zinc/55/16/35/649551635.db2.gz FPUOFEFAMOQFGT-UKRRQHHQSA-N 0 1 250.386 2.817 20 30 CFEDMN C#CCN1CCC(Oc2ccc(C(F)(F)F)cn2)CC1 ZINC000932230335 649566627 /nfs/dbraw/zinc/56/66/27/649566627.db2.gz KSCOEXLUDDWRLJ-UHFFFAOYSA-N 0 1 284.281 2.577 20 30 CFEDMN Cn1nccc1[C@@H]1CCCN1Cc1ccc(CC#N)cc1 ZINC000932261082 649569967 /nfs/dbraw/zinc/56/99/67/649569967.db2.gz NXTPQQQXCKLNID-KRWDZBQOSA-N 0 1 280.375 2.823 20 30 CFEDMN Cc1cc(CN2CCC[C@@H]2C(=O)NC(C)(C)C)ccc1C#N ZINC000932433681 649598972 /nfs/dbraw/zinc/59/89/72/649598972.db2.gz HOBPVWHOXUQJKX-MRXNPFEDSA-N 0 1 299.418 2.746 20 30 CFEDMN CC(C)(C)NC(=O)[C@@H]1CCCN1Cc1ccc(CC#N)cc1 ZINC000932438504 649600426 /nfs/dbraw/zinc/60/04/26/649600426.db2.gz XRXRTYXVTWEMKG-INIZCTEOSA-N 0 1 299.418 2.632 20 30 CFEDMN C#CCN(Cc1ccc(OC)c([N+](=O)[O-])c1)C(C)(C)C ZINC000932465170 649606109 /nfs/dbraw/zinc/60/61/09/649606109.db2.gz XZYJQGSJSISHAX-UHFFFAOYSA-N 0 1 276.336 2.837 20 30 CFEDMN N#Cc1ccc(CN2CCC(O)(C3CCC3)CC2)cc1F ZINC000932819209 649645998 /nfs/dbraw/zinc/64/59/98/649645998.db2.gz LOAVIJUQSUUBSM-UHFFFAOYSA-N 0 1 288.366 2.824 20 30 CFEDMN N#Cc1cccc(CN2CCC(CO)(C(F)(F)F)CC2)c1 ZINC000932822277 649646361 /nfs/dbraw/zinc/64/63/61/649646361.db2.gz BUBNXSLVRPLYPO-UHFFFAOYSA-N 0 1 298.308 2.695 20 30 CFEDMN CC[C@H](C)CN1CCO[C@@H](c2ccc(C#N)cc2)C1 ZINC000933630070 649708502 /nfs/dbraw/zinc/70/85/02/649708502.db2.gz VWBBSLGXWLGKMT-XJKSGUPXSA-N 0 1 258.365 2.978 20 30 CFEDMN Cc1ccc(CN2CCC3(CC2)CC(=O)C=CO3)c(C)n1 ZINC000933647372 649710067 /nfs/dbraw/zinc/71/00/67/649710067.db2.gz ZJUYITCDIBFFPG-UHFFFAOYSA-N 0 1 286.375 2.536 20 30 CFEDMN CO[C@H]1CC[C@@H]1N(C)Cc1cc(Cl)ccc1OCC#N ZINC000934133449 649754316 /nfs/dbraw/zinc/75/43/16/649754316.db2.gz ZCQNDQUKAVQFEP-ZFWWWQNUSA-N 0 1 294.782 2.852 20 30 CFEDMN C=CC[C@@H]1CCN1[C@H](C)C(=O)N(CCC#N)c1ccccc1 ZINC000934463903 649788666 /nfs/dbraw/zinc/78/86/66/649788666.db2.gz DIUNMKSXDHAGPD-HZPDHXFCSA-N 0 1 297.402 2.972 20 30 CFEDMN C=CC[C@@H]1CCN1CC(=O)NCc1cccc(Cl)c1 ZINC000934470751 649790194 /nfs/dbraw/zinc/79/01/94/649790194.db2.gz FITOWAXIQNJTRQ-CQSZACIVSA-N 0 1 278.783 2.607 20 30 CFEDMN C=CC[C@@H]1CCN1[C@@H](C)C(=O)N(C)c1ccccc1 ZINC000934470931 649790556 /nfs/dbraw/zinc/79/05/56/649790556.db2.gz HHIQQWVDCDCFAC-DZGCQCFKSA-N 0 1 258.365 2.688 20 30 CFEDMN C=CC[C@H]1CCN1C[C@H](O)c1c(F)cccc1F ZINC000934472054 649790973 /nfs/dbraw/zinc/79/09/73/649790973.db2.gz YKBONDSOVSMCMZ-GWCFXTLKSA-N 0 1 253.292 2.649 20 30 CFEDMN C=CC[C@@H]1CCN1[C@H](C)C(=O)NCCc1ccc(F)cc1 ZINC000934472022 649791078 /nfs/dbraw/zinc/79/10/78/649791078.db2.gz LBJBRPIZDLZRIX-CZUORRHYSA-N 0 1 290.382 2.523 20 30 CFEDMN C=CC[C@@H]1CCN1[C@H](C)C(=O)Nc1cccc(C)c1 ZINC000934473228 649791790 /nfs/dbraw/zinc/79/17/90/649791790.db2.gz UXYNWAQLDYCCDY-UKRRQHHQSA-N 0 1 258.365 2.972 20 30 CFEDMN N#CCC1(CN2Cc3ncccc3N3CCC[C@H]3C2)CC1 ZINC000934493651 649795167 /nfs/dbraw/zinc/79/51/67/649795167.db2.gz XJRVVENHVMTEQK-AWEZNQCLSA-N 0 1 282.391 2.560 20 30 CFEDMN C=CCCCN(CC)CC(=O)Nc1ncccc1C ZINC000934647661 649811914 /nfs/dbraw/zinc/81/19/14/649811914.db2.gz RIQNRIOIZSHIJD-UHFFFAOYSA-N 0 1 261.369 2.617 20 30 CFEDMN C(=NNc1ncnc2[nH]cnc21)c1cccc2ccccc12 ZINC000254302445 651085346 /nfs/dbraw/zinc/08/53/46/651085346.db2.gz LHEYQNBUSWJFDZ-UHFFFAOYSA-N 0 1 288.314 2.952 20 30 CFEDMN C=CCN1CCC[C@@H](NC(=O)C2=CCCCCC2)C1 ZINC001007200238 651096472 /nfs/dbraw/zinc/09/64/72/651096472.db2.gz QATUCAPIHQJGAK-OAHLLOKOSA-N 0 1 262.397 2.644 20 30 CFEDMN C=CCN1CCC[C@@H](NC(=O)c2cccc(F)c2C)C1 ZINC001007387430 651134089 /nfs/dbraw/zinc/13/40/89/651134089.db2.gz PORHISSABDTTDH-CYBMUJFWSA-N 0 1 276.355 2.514 20 30 CFEDMN C#CCCN1CCC[C@@H](NC(=O)c2cc(C)sc2C)C1 ZINC001007834452 651139243 /nfs/dbraw/zinc/13/92/43/651139243.db2.gz VUSSJUDSVKEKIV-CQSZACIVSA-N 0 1 290.432 2.582 20 30 CFEDMN C=C(C)CN1CCC[C@@H](NC(=O)C(C)(C)C2CCC2)C1 ZINC001008083084 651142093 /nfs/dbraw/zinc/14/20/93/651142093.db2.gz MSMFSLOZCPERLE-OAHLLOKOSA-N 0 1 278.440 2.969 20 30 CFEDMN C=C(C)CN1CCC[C@@H](NC(=O)c2cc(OC)cs2)C1 ZINC001008160943 651142817 /nfs/dbraw/zinc/14/28/17/651142817.db2.gz ZVQFOULXFSOLNN-GFCCVEGCSA-N 0 1 294.420 2.527 20 30 CFEDMN C=C(C)CN1CCC[C@H](NC(=O)C2(C)CCCC2)C1 ZINC001008104743 651142970 /nfs/dbraw/zinc/14/29/70/651142970.db2.gz UVAPYXMYEOWKHZ-AWEZNQCLSA-N 0 1 264.413 2.723 20 30 CFEDMN C=C(C)CN1CCC[C@H](NC(=O)c2cc[nH]c2CCC)C1 ZINC001008254180 651145808 /nfs/dbraw/zinc/14/58/08/651145808.db2.gz ALIHSMQNPNBCEW-AWEZNQCLSA-N 0 1 289.423 2.738 20 30 CFEDMN C=CCN1CCC[C@H](NC(=O)c2ccccc2CC)C1 ZINC001008329256 651146256 /nfs/dbraw/zinc/14/62/56/651146256.db2.gz IIVXDNQGHYJYSZ-HNNXBMFYSA-N 0 1 272.392 2.629 20 30 CFEDMN C=C(C)CN1CCC[C@@H](NC(=O)[C@H]2C[C@@H]2c2ccccc2)C1 ZINC001008783178 651153496 /nfs/dbraw/zinc/15/34/96/651153496.db2.gz GHZRGQGVOJERRE-KURKYZTESA-N 0 1 298.430 2.947 20 30 CFEDMN C#CCCN1CCC[C@@H](NC(=O)c2csc(Cl)c2)C1 ZINC001008761671 651153847 /nfs/dbraw/zinc/15/38/47/651153847.db2.gz QUMMFMBZYNIQFO-GFCCVEGCSA-N 0 1 296.823 2.619 20 30 CFEDMN C=CCN1CCC[C@@H](NC(=O)c2cccc(C)c2C)C1 ZINC001009392515 651160190 /nfs/dbraw/zinc/16/01/90/651160190.db2.gz NRFBMABVJMGMSO-OAHLLOKOSA-N 0 1 272.392 2.684 20 30 CFEDMN C#CCCN1CCC[C@@H](NC(=O)c2sccc2CC)C1 ZINC001009615771 651162725 /nfs/dbraw/zinc/16/27/25/651162725.db2.gz DEKBZENJKPPGBZ-CQSZACIVSA-N 0 1 290.432 2.528 20 30 CFEDMN C=CCN1CCC[C@H](NC(=O)c2ccoc2C(C)C)C1 ZINC001009694169 651163468 /nfs/dbraw/zinc/16/34/68/651163468.db2.gz YIHWZTDHWBSKPR-ZDUSSCGKSA-N 0 1 276.380 2.783 20 30 CFEDMN C=CCN1CCC[C@@H](NC(=O)c2c[nH]c3ccc(C)cc23)C1 ZINC001009653691 651163727 /nfs/dbraw/zinc/16/37/27/651163727.db2.gz YVYGCFLHULZKLP-CQSZACIVSA-N 0 1 297.402 2.857 20 30 CFEDMN C=CCN1CC[C@@H](NC(=O)c2cc(C(F)F)ccc2F)C1 ZINC001014455213 651185843 /nfs/dbraw/zinc/18/58/43/651185843.db2.gz KDRYFAGROWMBTB-LLVKDONJSA-N 0 1 298.308 2.753 20 30 CFEDMN C=CCN1CC[C@H](NC(=O)[C@@H]2C[C@H]2c2sccc2C)C1 ZINC001014415955 651186217 /nfs/dbraw/zinc/18/62/17/651186217.db2.gz XQHGKETWCVLNST-BFHYXJOUSA-N 0 1 290.432 2.537 20 30 CFEDMN C=CCN1CC[C@H](NC(=O)Cc2coc3ccc(C)cc23)C1 ZINC001014600084 651189869 /nfs/dbraw/zinc/18/98/69/651189869.db2.gz GDXTUMQSXITZFU-HNNXBMFYSA-N 0 1 298.386 2.660 20 30 CFEDMN C=CCN1CC[C@@H](NC(=O)c2coc3c2cccc3C)C1 ZINC001014737515 651191557 /nfs/dbraw/zinc/19/15/57/651191557.db2.gz RFEJXXYDPDWGIX-CYBMUJFWSA-N 0 1 284.359 2.731 20 30 CFEDMN C=CCN1CC[C@H](NC(=O)Cc2ccc(C)c(Cl)c2)C1 ZINC001014916063 651193164 /nfs/dbraw/zinc/19/31/64/651193164.db2.gz PLSMTQXWIBQNHS-AWEZNQCLSA-N 0 1 292.810 2.567 20 30 CFEDMN C=CCN1CC[C@H](NC(=O)c2cc(F)cc3ccoc32)C1 ZINC001015019757 651194397 /nfs/dbraw/zinc/19/43/97/651194397.db2.gz RIVRUMGFTFRVBJ-ZDUSSCGKSA-N 0 1 288.322 2.562 20 30 CFEDMN C=CCN1CC[C@H](NC(=O)c2cc(C)c(Cl)cc2C)C1 ZINC001015487619 651201856 /nfs/dbraw/zinc/20/18/56/651201856.db2.gz MZJCVCYKNBAPRM-ZDUSSCGKSA-N 0 1 292.810 2.947 20 30 CFEDMN C=CCN1CC[C@@H](NC(=O)c2cc3c(ccc(C)c3C)[nH]2)C1 ZINC001015511079 651202364 /nfs/dbraw/zinc/20/23/64/651202364.db2.gz OYQXRAOGYWSSLY-CQSZACIVSA-N 0 1 297.402 2.775 20 30 CFEDMN C=CCN1CC[C@@H](NC(=O)c2ccc(CCC)cc2)C1 ZINC001015630381 651206330 /nfs/dbraw/zinc/20/63/30/651206330.db2.gz AABAESNPOQYGJN-MRXNPFEDSA-N 0 1 272.392 2.629 20 30 CFEDMN C=CCN1CC[C@H](NC(=O)[C@H](C)c2ccc(Cl)cc2)C1 ZINC001015649306 651207108 /nfs/dbraw/zinc/20/71/08/651207108.db2.gz RODZWDKHFYFBNH-DOMZBBRYSA-N 0 1 292.810 2.820 20 30 CFEDMN C=CCN1CC[C@H](NC(=O)c2ccc(C(F)F)c(F)c2)C1 ZINC001015699840 651209660 /nfs/dbraw/zinc/20/96/60/651209660.db2.gz RUKKGBLANOQHJT-NSHDSACASA-N 0 1 298.308 2.753 20 30 CFEDMN C=C(C)CN1CC[C@@H](NC(=O)c2ccc(C)c(F)c2F)C1 ZINC001015741365 651211243 /nfs/dbraw/zinc/21/12/43/651211243.db2.gz IXHIHRSVLJNYLN-GFCCVEGCSA-N 0 1 294.345 2.653 20 30 CFEDMN C=CCCN1CC[C@H](NC(=O)c2scnc2C(C)C)C1 ZINC001015816664 651215466 /nfs/dbraw/zinc/21/54/66/651215466.db2.gz ZRWLVUBGNBBOCU-LBPRGKRZSA-N 0 1 293.436 2.647 20 30 CFEDMN C=CCN1CC[C@@H](NC(=O)[C@H](C)c2ccc(CC)cc2)C1 ZINC001015859563 651216246 /nfs/dbraw/zinc/21/62/46/651216246.db2.gz FTIFCOGQWIWLHS-RHSMWYFYSA-N 0 1 286.419 2.729 20 30 CFEDMN CC#CCN1CC[C@H](NC(=O)[C@@H](C)c2ccc(CC)cc2)C1 ZINC001015859418 651216677 /nfs/dbraw/zinc/21/66/77/651216677.db2.gz DDSHRGKOPSTSAS-YJBOKZPZSA-N 0 1 298.430 2.566 20 30 CFEDMN CC#CCN1CC[C@@H](NC(=O)[C@H]2CC[C@H](C(C)C)CC2)C1 ZINC001015902217 651217430 /nfs/dbraw/zinc/21/74/30/651217430.db2.gz HLZXRYJWJKIGRI-BRWVUGGUSA-N 0 1 290.451 2.663 20 30 CFEDMN C=CCN1CC[C@H](NC(=O)c2ccccc2C(F)(F)F)C1 ZINC001016055064 651222545 /nfs/dbraw/zinc/22/25/45/651222545.db2.gz JCQZFGMYWVZNAZ-NSHDSACASA-N 0 1 298.308 2.696 20 30 CFEDMN C=CCN1CC[C@H](NC(=O)c2cc(Cl)ccc2Cl)C1 ZINC001016087182 651224343 /nfs/dbraw/zinc/22/43/43/651224343.db2.gz DGNIUFLNTPEDOM-NSHDSACASA-N 0 1 299.201 2.984 20 30 CFEDMN C#CCCN1CC[C@@H](NC(=O)c2sccc2C(F)F)C1 ZINC001016132243 651224885 /nfs/dbraw/zinc/22/48/85/651224885.db2.gz YTSDVKWYIDXYPP-SNVBAGLBSA-N 0 1 298.358 2.513 20 30 CFEDMN C=C(C)CN1CC[C@@H](NC(=O)c2cc(CC)c(C)s2)C1 ZINC001016208068 651227858 /nfs/dbraw/zinc/22/78/58/651227858.db2.gz RKJVTRAMUOUOFE-CQSZACIVSA-N 0 1 292.448 2.999 20 30 CFEDMN C=CCN1CC[C@H](NC(=O)c2ccc(C3CC3)cc2)C1 ZINC001016317765 651229949 /nfs/dbraw/zinc/22/99/49/651229949.db2.gz YSNRDMPYRYVPDV-INIZCTEOSA-N 0 1 270.376 2.554 20 30 CFEDMN C=C(C)CN1CC[C@@H](NC(=O)C23CC(C(C)(C)C)(C2)C3)C1 ZINC001016375002 651231996 /nfs/dbraw/zinc/23/19/96/651231996.db2.gz KWHJHPDZJHDIAG-RWBZWWBESA-N 0 1 290.451 2.969 20 30 CFEDMN C=C(Cl)CN1CCC2(C[C@H]2NC(=O)C2CC=CC2)CC1 ZINC001016550222 651236781 /nfs/dbraw/zinc/23/67/81/651236781.db2.gz DINQVJUALSWHQJ-CQSZACIVSA-N 0 1 294.826 2.676 20 30 CFEDMN C=CCCN1C[C@H]2CC[C@@H](C1)N2C(=O)c1ccccc1C ZINC001017312341 651249568 /nfs/dbraw/zinc/24/95/68/651249568.db2.gz MVWIFYNJAXMKEB-IYBDPMFKSA-N 0 1 284.403 2.860 20 30 CFEDMN C=C(C)CN1C[C@H]2CC[C@@H](C1)N2C(=O)CC1CCCC1 ZINC001017312707 651249651 /nfs/dbraw/zinc/24/96/51/651249651.db2.gz QWNMGKOLKGBGED-IYBDPMFKSA-N 0 1 276.424 2.818 20 30 CFEDMN C=C(C)CN1C[C@H]2CC[C@@H](C1)N2C(=O)CCC1CCC1 ZINC001017455317 651252310 /nfs/dbraw/zinc/25/23/10/651252310.db2.gz VXXVUNFLUXALDM-IYBDPMFKSA-N 0 1 276.424 2.818 20 30 CFEDMN C=C(Cl)CN[C@H]1CCN(C(=O)[C@H](C)c2ccsc2)C1 ZINC001019371379 651284133 /nfs/dbraw/zinc/28/41/33/651284133.db2.gz GOZKCCQPPHJUGR-YPMHNXCESA-N 0 1 298.839 2.795 20 30 CFEDMN C=C(Cl)CN[C@H]1CCN(C(=O)Cc2ccsc2C)C1 ZINC001019473123 651286254 /nfs/dbraw/zinc/28/62/54/651286254.db2.gz MRHVJGQZFHEMLW-ZDUSSCGKSA-N 0 1 298.839 2.542 20 30 CFEDMN C=C(Cl)CN[C@H]1CCN(C(=O)c2cccc(Cl)c2)C1 ZINC001019694985 651289862 /nfs/dbraw/zinc/28/98/62/651289862.db2.gz ZLSIALOUBNAFPA-ZDUSSCGKSA-N 0 1 299.201 2.897 20 30 CFEDMN C=C(C)CN1CC[C@H]1CN(C)C(=O)c1c[nH]cc1C1CC1 ZINC001085900747 782197160 /nfs/dbraw/zinc/19/71/60/782197160.db2.gz OLPRJHGQYHNJGH-AWEZNQCLSA-N 0 1 287.407 2.615 20 30 CFEDMN C=C(C)CN1CC[C@@H]1CN(C)C(=O)c1ccc(CC)cc1 ZINC001085955459 782216159 /nfs/dbraw/zinc/21/61/59/782216159.db2.gz AXCFEXYKJNZSNO-QGZVFWFLSA-N 0 1 286.419 2.971 20 30 CFEDMN C#CCCN1CC[C@@H]1CN(C)C(=O)c1coc2ccccc21 ZINC001086000391 782236687 /nfs/dbraw/zinc/23/66/87/782236687.db2.gz IFPWXFBMQUGMAT-CQSZACIVSA-N 0 1 296.370 2.602 20 30 CFEDMN C=C(C)CCN1CC[C@H]1CN(C)C(=O)c1ccc(F)s1 ZINC001085998423 782233525 /nfs/dbraw/zinc/23/35/25/782233525.db2.gz YRROBBZAWWYOOZ-LBPRGKRZSA-N 0 1 296.411 3.000 20 30 CFEDMN C=C(C)CCC(=O)N(CC)CCNCc1c(C)noc1C ZINC001273404627 782279540 /nfs/dbraw/zinc/27/95/40/782279540.db2.gz KXYMQSZWHCFRGI-UHFFFAOYSA-N 0 1 293.411 2.586 20 30 CFEDMN CSc1ccc(-c2cc3[nH]cnc3c(C#N)n2)c(C)n1 ZINC001243568079 782283458 /nfs/dbraw/zinc/28/34/58/782283458.db2.gz AVILCSFENRJZHG-UHFFFAOYSA-N 0 1 281.344 2.922 20 30 CFEDMN C#CCN1CC[C@@H](NC(=O)CCC2CCCCCC2)C1 ZINC001266330703 769973403 /nfs/dbraw/zinc/97/34/03/769973403.db2.gz HUCXCQPPHGIATA-MRXNPFEDSA-N 0 1 276.424 2.561 20 30 CFEDMN C#CCN1CC[C@H](NC(=O)c2cccc(C3CC3)c2)[C@H]1CC ZINC001087842588 777719018 /nfs/dbraw/zinc/71/90/18/777719018.db2.gz ACHPMMSNUGATTO-ZWKOTPCHSA-N 0 1 296.414 2.780 20 30 CFEDMN C=C(C)CCN1CC(NC(=O)C[C@H]2CCC(F)(F)C2)C1 ZINC001030413418 778861935 /nfs/dbraw/zinc/86/19/35/778861935.db2.gz VLXFUVJHLNCDPN-GFCCVEGCSA-N 0 1 286.366 2.579 20 30 CFEDMN CCC[C@H](C)CC(=O)NCCNCc1ccccc1C#N ZINC001124588158 779693863 /nfs/dbraw/zinc/69/38/63/779693863.db2.gz QECLBPUVXDULGB-AWEZNQCLSA-N 0 1 287.407 2.590 20 30 CFEDMN C=CCN1CC[C@@H](N(C)C(=O)c2c(F)cc(C)cc2F)C1 ZINC001033255740 780634504 /nfs/dbraw/zinc/63/45/04/780634504.db2.gz YFPLROQOZLKSMX-GFCCVEGCSA-N 0 1 294.345 2.606 20 30 CFEDMN C=C(C)CN1CC[C@H](N(C)C(=O)c2occc2CC)C1 ZINC001033394710 780670598 /nfs/dbraw/zinc/67/05/98/780670598.db2.gz ZGJVYNQKYMKVAW-AWEZNQCLSA-N 0 1 276.380 2.564 20 30 CFEDMN C=CCN1CC[C@@H](N(C)C(=O)c2ccc3c(c2)CCC3)C1 ZINC001033656830 780741453 /nfs/dbraw/zinc/74/14/53/780741453.db2.gz NUFUAAIZIMBXRD-QGZVFWFLSA-N 0 1 284.403 2.508 20 30 CFEDMN C=CCN1CC[C@@H](N(CC)C(=O)[C@H]2CC23CCCC3)C1 ZINC001034016323 780855368 /nfs/dbraw/zinc/85/53/68/780855368.db2.gz HTPBVROPOKHTCE-HUUCEWRRSA-N 0 1 276.424 2.676 20 30 CFEDMN C#CCN1CC[C@H](N(CC)C(=O)[C@@H]2CCCC(C)(C)C2)C1 ZINC001034050638 780868071 /nfs/dbraw/zinc/86/80/71/780868071.db2.gz OEFAAOXXHPCVSZ-CVEARBPZSA-N 0 1 290.451 2.759 20 30 CFEDMN C=CCCC(=O)NCCN(C)Cc1ccc(C)c(OC)c1 ZINC001266261960 769839701 /nfs/dbraw/zinc/83/97/01/769839701.db2.gz FVGCMRMGPXCPNG-UHFFFAOYSA-N 0 1 290.407 2.518 20 30 CFEDMN C=C(C)CN(CC)c1ncnc2[nH]cc(C(=O)OCC)c21 ZINC001167050204 769846943 /nfs/dbraw/zinc/84/69/43/769846943.db2.gz WMDHTWLVFORREJ-UHFFFAOYSA-N 0 1 288.351 2.537 20 30 CFEDMN C=CC1(CC(=O)N[C@H]2CCN(CC#CC)C2)CCCCC1 ZINC001266347897 769998425 /nfs/dbraw/zinc/99/84/25/769998425.db2.gz UIKZIXFENDPKIG-INIZCTEOSA-N 0 1 288.435 2.727 20 30 CFEDMN C=CCCCCCCN1CCC[C@@H](S(C)(=O)=O)C1 ZINC001209440167 770091548 /nfs/dbraw/zinc/09/15/48/770091548.db2.gz CVXURXUMNBNXQV-CQSZACIVSA-N 0 1 273.442 2.632 20 30 CFEDMN CC#CCN(CC)CCNC(=O)c1c[nH]c2ccc(C)cc12 ZINC001266440560 770158074 /nfs/dbraw/zinc/15/80/74/770158074.db2.gz XVSDXISECLUZIN-UHFFFAOYSA-N 0 1 297.402 2.551 20 30 CFEDMN C=CCCC(=O)NC[C@H]1CCCN1Cc1ccccc1F ZINC001266450852 770167381 /nfs/dbraw/zinc/16/73/81/770167381.db2.gz WDCZRWYPSFHLQG-OAHLLOKOSA-N 0 1 290.382 2.873 20 30 CFEDMN C#CCCCC(=O)NC[C@@H]1CCCN1Cc1ccsc1 ZINC001266460957 770182372 /nfs/dbraw/zinc/18/23/72/770182372.db2.gz GWHTYSCULOCZRP-HNNXBMFYSA-N 0 1 290.432 2.632 20 30 CFEDMN O/N=C/c1cc(NCc2cncnc2)cc(C(F)(F)F)c1 ZINC001167266094 770191419 /nfs/dbraw/zinc/19/14/19/770191419.db2.gz JELUXOBFJBQEEP-IFRROFPPSA-N 0 1 296.252 2.916 20 30 CFEDMN C=C(C)CN1CC[C@H]1CNC(=O)C1=CCCCCC1 ZINC001038187485 770240034 /nfs/dbraw/zinc/24/00/34/770240034.db2.gz QRHSZLZSWOTUDT-HNNXBMFYSA-N 0 1 262.397 2.644 20 30 CFEDMN CC#Cc1cncc(Nc2nnc(C(C)(C)C)o2)c1 ZINC001211054145 770423046 /nfs/dbraw/zinc/42/30/46/770423046.db2.gz MGRYSBKWUKMHBT-UHFFFAOYSA-N 0 1 256.309 2.877 20 30 CFEDMN CC#CCN(CCNC(=O)[C@H]1CCCC[C@H]1CC)C1CC1 ZINC001266615961 770440061 /nfs/dbraw/zinc/44/00/61/770440061.db2.gz WQRBLUXSFBOUPE-WBVHZDCISA-N 0 1 290.451 2.807 20 30 CFEDMN C=CCCCC(=O)N[C@H]1C[C@H](NCc2csc(C)n2)C1 ZINC001266616633 770442625 /nfs/dbraw/zinc/44/26/25/770442625.db2.gz FSUBTDOFLJNMQO-JOCQHMNTSA-N 0 1 293.436 2.545 20 30 CFEDMN C=C(Cl)CNCCN(C)C(=O)C[C@H]1CC=CCC1 ZINC001266803853 770628117 /nfs/dbraw/zinc/62/81/17/770628117.db2.gz UJDCMFFBRFNRKL-ZDUSSCGKSA-N 0 1 270.804 2.533 20 30 CFEDMN C#CCCCC(=O)N1CCCC[C@H]1[C@@H]1CCCN1CCF ZINC001266886627 770714433 /nfs/dbraw/zinc/71/44/33/770714433.db2.gz ONCBVHFVNVJUIL-HOTGVXAUSA-N 0 1 294.414 2.605 20 30 CFEDMN C=C(Cl)CNCCN(C)C(=O)C(C)(C)CC(C)C ZINC001266966685 770776321 /nfs/dbraw/zinc/77/63/21/770776321.db2.gz ZYHOPZCKOHROEM-UHFFFAOYSA-N 0 1 274.836 2.859 20 30 CFEDMN CC[C@@H](C)CC(=O)N1CC[C@@H](NCC#Cc2ccccc2)C1 ZINC001267008806 770803895 /nfs/dbraw/zinc/80/38/95/770803895.db2.gz FMVYJXFVZIYVSK-SJLPKXTDSA-N 0 1 298.430 2.665 20 30 CFEDMN C#CCN(C)Cc1ccc(F)c(OC(F)(F)F)c1 ZINC001143442871 770897888 /nfs/dbraw/zinc/89/78/88/770897888.db2.gz MSNLJHXLUFCOBS-UHFFFAOYSA-N 0 1 261.218 2.789 20 30 CFEDMN C=CCC(C)(C)C(=O)NCC[N@H+](C)CCc1ccccc1 ZINC001267218613 773218353 /nfs/dbraw/zinc/21/83/53/773218353.db2.gz BCKWLBPEQKMMCA-UHFFFAOYSA-N 0 1 288.435 2.879 20 30 CFEDMN CC#CCN(C)CCNC(=O)[C@H](CCC)c1ccccc1 ZINC001267229519 773231567 /nfs/dbraw/zinc/23/15/67/773231567.db2.gz PPBSITCEOSFIKN-QGZVFWFLSA-N 0 1 286.419 2.642 20 30 CFEDMN CC[N@@H+](CCNC(=O)C#CC(C)(C)C)Cc1ccsc1 ZINC001267241002 773250045 /nfs/dbraw/zinc/25/00/45/773250045.db2.gz HGDJWOVYEPEPOF-UHFFFAOYSA-N 0 1 292.448 2.736 20 30 CFEDMN CCN(CCNC(=O)C#CC(C)(C)C)Cc1ccsc1 ZINC001267241002 773250051 /nfs/dbraw/zinc/25/00/51/773250051.db2.gz HGDJWOVYEPEPOF-UHFFFAOYSA-N 0 1 292.448 2.736 20 30 CFEDMN CC#CCN(CC)CCNC(=O)[C@H]1CCCC[C@H]1C1CC1 ZINC001267246470 773255887 /nfs/dbraw/zinc/25/58/87/773255887.db2.gz ARJSECTXDWPNCU-IRXDYDNUSA-N 0 1 290.451 2.664 20 30 CFEDMN COCCCCO[C@H]1CCN(Cc2ccccc2C#N)C1 ZINC001224317775 775155915 /nfs/dbraw/zinc/15/59/15/775155915.db2.gz POPXCPLLJYASBQ-KRWDZBQOSA-N 0 1 288.391 2.576 20 30 CFEDMN C=C1O[C@H](C)C(=O)C1OCCCCCCC(=O)OCC ZINC001224393136 775172507 /nfs/dbraw/zinc/17/25/07/775172507.db2.gz UFMRQOOGHCVTMA-LLVKDONJSA-N 0 1 284.352 2.736 20 30 CFEDMN C=C1O[C@H](CC)C(=O)C1OCCCCCC(=O)OCC ZINC001224684598 775246421 /nfs/dbraw/zinc/24/64/21/775246421.db2.gz UZNOKTPMBBDKQO-GFCCVEGCSA-N 0 1 284.352 2.736 20 30 CFEDMN C=C(C)CCC(=O)NC[C@@H](NCC#CC)c1ccccc1 ZINC001267362037 775251792 /nfs/dbraw/zinc/25/17/92/775251792.db2.gz NMFLWRWWDIKBRS-QGZVFWFLSA-N 0 1 284.403 2.813 20 30 CFEDMN C=C(C)C(C)(C)C(=O)N(C)CCNCc1nc(C)cs1 ZINC001267412928 775314185 /nfs/dbraw/zinc/31/41/85/775314185.db2.gz ULVBQLAETUJPKC-UHFFFAOYSA-N 0 1 295.452 2.602 20 30 CFEDMN C=C1O[C@@H](CC)C(=O)C1OCCCCC(=N)OCC ZINC001224965257 775322974 /nfs/dbraw/zinc/32/29/74/775322974.db2.gz IAJVOMHDHYPUHT-NSHDSACASA-N 0 1 269.341 2.796 20 30 CFEDMN C=C1O[C@@H](CC)C(=O)C1OC/C=C/C(=O)OC(C)(C)C ZINC001224999181 775328981 /nfs/dbraw/zinc/32/89/81/775328981.db2.gz XCXYIQNURSSDLR-AEZGRPFRSA-N 0 1 282.336 2.510 20 30 CFEDMN C=C1O[C@@H](CC)C(=O)C1OC[C@H](C)NC(=O)OC(C)(C)C ZINC001225159813 775357050 /nfs/dbraw/zinc/35/70/50/775357050.db2.gz UWCXHNOPFAKPDC-ONGXEEELSA-N 0 1 299.367 2.526 20 30 CFEDMN C=CCN1CC[C@H](N(CCC)C(=O)[C@H](C)C(C)C)C1 ZINC001267481622 775379840 /nfs/dbraw/zinc/37/98/40/775379840.db2.gz JNMDILDHHLVCHU-CABCVRRESA-N 0 1 266.429 2.777 20 30 CFEDMN CC#CCN[C@H](CNC(=O)C[C@H](C)C1CC1)c1ccccc1 ZINC001267526968 775424191 /nfs/dbraw/zinc/42/41/91/775424191.db2.gz VUJHXOGTSXWYTD-MAUKXSAKSA-N 0 1 298.430 2.893 20 30 CFEDMN C=CCN1CCCC[C@@H]1CNC(=O)[C@@H]1CC2CCC1CC2 ZINC001024817448 775428039 /nfs/dbraw/zinc/42/80/39/775428039.db2.gz ANUZRVXAFPLEMD-BHUNQDJPSA-N 0 1 290.451 2.969 20 30 CFEDMN C#CC[N@@H+]1CCCC[C@H]1CNC(=O)C1CC(C(C)(C)C)C1 ZINC001024820487 775428701 /nfs/dbraw/zinc/42/87/01/775428701.db2.gz ZSSBOSCMFOAHBM-GPANFISMSA-N 0 1 290.451 2.663 20 30 CFEDMN C#CCN1CCCC[C@H]1CNC(=O)C1CC(C(C)(C)C)C1 ZINC001024820487 775428709 /nfs/dbraw/zinc/42/87/09/775428709.db2.gz ZSSBOSCMFOAHBM-GPANFISMSA-N 0 1 290.451 2.663 20 30 CFEDMN CC#CCN1CC[C@H](N(CCC)C(=O)/C(C)=C\CC)C1 ZINC001267536893 775441260 /nfs/dbraw/zinc/44/12/60/775441260.db2.gz BXQNTYCRYYUCQG-TYWAAFNRSA-N 0 1 276.424 2.679 20 30 CFEDMN CC#CCN1CC[C@@H](N(CCC)C(=O)/C(C)=C/CC)C1 ZINC001267536890 775441514 /nfs/dbraw/zinc/44/15/14/775441514.db2.gz BXQNTYCRYYUCQG-HTRKUNOGSA-N 0 1 276.424 2.679 20 30 CFEDMN CC#CCN1CC[C@H](N(CCC)C(=O)[C@@H]2CC23CCC3)C1 ZINC001267547381 775458658 /nfs/dbraw/zinc/45/86/58/775458658.db2.gz MHHPAKIPYKJKDU-HOTGVXAUSA-N 0 1 288.435 2.513 20 30 CFEDMN C=C[C@](C)(CC)C(=O)N(C)C[C@@H](C)NCc1cnc(C)o1 ZINC001283663397 775484478 /nfs/dbraw/zinc/48/44/78/775484478.db2.gz NDZFHTCIFZTBHI-MLGOLLRUSA-N 0 1 293.411 2.522 20 30 CFEDMN Cc1cc(C(C)(C)C)ccc1O[C@H]1CNC[C@H]1C#N ZINC001218201720 775498379 /nfs/dbraw/zinc/49/83/79/775498379.db2.gz UMRWEUYCSNFEHF-DOMZBBRYSA-N 0 1 258.365 2.783 20 30 CFEDMN Cc1cc(O[C@@H]2CNC[C@H]2C#N)c(C)cc1Br ZINC001218202729 775499023 /nfs/dbraw/zinc/49/90/23/775499023.db2.gz NZLOLJYPSLZEAI-ZWNOBZJWSA-N 0 1 295.180 2.556 20 30 CFEDMN COc1ccc(CN2CC[C@]3(C2)CCCOC3)c(C#N)c1 ZINC001137704876 775516249 /nfs/dbraw/zinc/51/62/49/775516249.db2.gz XUJMDXKCXUUVKO-KRWDZBQOSA-N 0 1 286.375 2.569 20 30 CFEDMN C=C(Cl)CN1CCC[C@H]([C@H](C)NC(=O)c2ccc[nH]2)C1 ZINC001025339054 775613699 /nfs/dbraw/zinc/61/36/99/775613699.db2.gz DCDXWGAEASTPGH-STQMWFEESA-N 0 1 295.814 2.598 20 30 CFEDMN C=C1O[C@@H](C)C(=O)C1Oc1c(F)cc(F)cc1C(C)=O ZINC001225951261 775646585 /nfs/dbraw/zinc/64/65/85/775646585.db2.gz PUTRYFGBFFICOY-ZETCQYMHSA-N 0 1 282.242 2.766 20 30 CFEDMN N#CC1CCC(Oc2nc(C(F)(F)F)cc(=O)[nH]2)CC1 ZINC001225980811 775656466 /nfs/dbraw/zinc/65/64/66/775656466.db2.gz PPUFMRBDBAUJMH-UHFFFAOYSA-N 0 1 287.241 2.662 20 30 CFEDMN C[C@H](Oc1cccc2[nH]nnc21)c1ccccc1C#N ZINC001225993868 775661204 /nfs/dbraw/zinc/66/12/04/775661204.db2.gz ZRMIBHDHVAWTFW-JTQLQIEISA-N 0 1 264.288 2.970 20 30 CFEDMN C[C@H](NCC(C)(C)C#N)c1ccc(OCC#N)cc1 ZINC000122266028 775661744 /nfs/dbraw/zinc/66/17/44/775661744.db2.gz RPOSRTBZLOQIGG-LBPRGKRZSA-N 0 1 257.337 2.789 20 30 CFEDMN C=CCC[C@H](C)N1CC(NC(=O)CCC2CCC2)C1 ZINC001267642126 775730680 /nfs/dbraw/zinc/73/06/80/775730680.db2.gz VNKXUQZPNQLZOY-ZDUSSCGKSA-N 0 1 264.413 2.722 20 30 CFEDMN C=CCCC(=O)NCC1CN(Cc2csc(C)c2)C1 ZINC001267676741 775770371 /nfs/dbraw/zinc/77/03/71/775770371.db2.gz PZVJBVGLPQVVCK-UHFFFAOYSA-N 0 1 278.421 2.571 20 30 CFEDMN C#C[C@H](CC(C)C)Oc1[nH]c(=O)nc2ccc(F)cc21 ZINC001226408100 775808698 /nfs/dbraw/zinc/80/86/98/775808698.db2.gz DUSWJPQMBFWLQH-LLVKDONJSA-N 0 1 274.295 2.901 20 30 CFEDMN C=C(C)C(=O)OC[C@@H](C)Oc1cc(N)nc2ccccc21 ZINC001226418385 775811926 /nfs/dbraw/zinc/81/19/26/775811926.db2.gz MRAAUFXFHHFGDS-LLVKDONJSA-N 0 1 286.331 2.704 20 30 CFEDMN C#CCN1CC[C@H](N(C)C(=O)[C@H](C)CC2CCCCC2)C1 ZINC001267776149 775918085 /nfs/dbraw/zinc/91/80/85/775918085.db2.gz FXQBDSWZFVARDI-WBVHZDCISA-N 0 1 290.451 2.759 20 30 CFEDMN C=CCCCCCN1CC[C@@H]2C[C@@]21C(=O)Nc1cn[nH]c1 ZINC001277154768 775960669 /nfs/dbraw/zinc/96/06/69/775960669.db2.gz XCAFPCNJPRRRRR-CJNGLKHVSA-N 0 1 288.395 2.559 20 30 CFEDMN C=CC[C@H](C=C)Oc1nc(=O)[nH]c(C)c1Br ZINC001226787663 775966053 /nfs/dbraw/zinc/96/60/53/775966053.db2.gz KQGKOPDFFYKQCE-QMMMGPOBSA-N 0 1 285.141 2.763 20 30 CFEDMN C[C@@H](C#C[Si](C)(C)C)Oc1[nH]c(=O)nc2ccccc21 ZINC001226977491 776043650 /nfs/dbraw/zinc/04/36/50/776043650.db2.gz QONGBEOLWSIJQT-NSHDSACASA-N 0 1 286.407 2.984 20 30 CFEDMN C=C1O[C@@H](C)C(=O)C1Oc1cnc(Br)c(C)c1 ZINC001226995909 776054340 /nfs/dbraw/zinc/05/43/40/776054340.db2.gz DTANTWDSQYPQJC-ZETCQYMHSA-N 0 1 298.136 2.751 20 30 CFEDMN C=C[C@@H](CCC)Oc1[nH]c(=O)nc2ccc([N+](=O)[O-])cc21 ZINC001227095468 776092690 /nfs/dbraw/zinc/09/26/90/776092690.db2.gz JOXLNFGNETWUMJ-JTQLQIEISA-N 0 1 289.291 2.977 20 30 CFEDMN C=CCc1c([O-])ccc(C(C)=O)c1OC1CC[NH+](C)CC1 ZINC001227120153 776106498 /nfs/dbraw/zinc/10/64/98/776106498.db2.gz GDRLJVYEEFUQRA-UHFFFAOYSA-N 0 1 289.375 2.796 20 30 CFEDMN C#CCCCCC(=O)NCCN[C@@H](C)c1ccccc1F ZINC001125951414 776171124 /nfs/dbraw/zinc/17/11/24/776171124.db2.gz OWCBOVSJMKGJAG-AWEZNQCLSA-N 0 1 290.382 2.786 20 30 CFEDMN C=C[C@H](Oc1ncnc2nc[nH]c21)c1ccccc1 ZINC001227533918 776222892 /nfs/dbraw/zinc/22/28/92/776222892.db2.gz HZIOKXHKGATBBL-NSHDSACASA-N 0 1 252.277 2.659 20 30 CFEDMN C=C[C@@]1(C)CC[C@@H](Oc2[nH]c(=S)nnc2C)C(C)(C)O1 ZINC001227602619 776239766 /nfs/dbraw/zinc/23/97/66/776239766.db2.gz UHZBVHIBFWCNSN-YGRLFVJLSA-N 0 1 295.408 2.750 20 30 CFEDMN C[C@H](CC(C)(C)S)Oc1nc(=O)[nH]c2c1CO[C@H]2C ZINC001227715730 776269236 /nfs/dbraw/zinc/26/92/36/776269236.db2.gz FSFWZTGOVDVVDC-SFYZADRCSA-N 0 1 284.381 2.639 20 30 CFEDMN C#CCOc1cccc(NC(=O)c2cccc(F)c2O)c1 ZINC001126060490 776296673 /nfs/dbraw/zinc/29/66/73/776296673.db2.gz NJLHOBGVGKDZPG-UHFFFAOYSA-N 0 1 285.274 2.796 20 30 CFEDMN C=C(C)CN1CC[C@H](c2ccccc2)[C@H](NC(=O)C2CC2)C1 ZINC001087418942 776307030 /nfs/dbraw/zinc/30/70/30/776307030.db2.gz GJGXPUCUSPZGOI-QZTJIDSGSA-N 0 1 298.430 2.947 20 30 CFEDMN C=CCC[C@H](C)N1CCO[C@@H](CNC(=O)C(C)(C)CC)C1 ZINC001268028000 776320772 /nfs/dbraw/zinc/32/07/72/776320772.db2.gz XIBLPNYEVRSNGZ-GJZGRUSLSA-N 0 1 296.455 2.594 20 30 CFEDMN C=CCCCCCCNC(=O)N1CC[N@H+](CC)C[C@@H]1C ZINC001228041481 776375194 /nfs/dbraw/zinc/37/51/94/776375194.db2.gz YBTIOMGUTLYWDV-HNNXBMFYSA-N 0 1 281.444 2.859 20 30 CFEDMN C=CCCCCCCNC(=O)N1CCN(CC)C[C@@H]1C ZINC001228041481 776375201 /nfs/dbraw/zinc/37/52/01/776375201.db2.gz YBTIOMGUTLYWDV-HNNXBMFYSA-N 0 1 281.444 2.859 20 30 CFEDMN CC(C)N1CC[C@H](Oc2c(F)cc(C#N)cc2F)C1 ZINC001228076833 776386464 /nfs/dbraw/zinc/38/64/64/776386464.db2.gz PLQSGKQDUKPQTR-NSHDSACASA-N 0 1 266.291 2.698 20 30 CFEDMN CCC1=C(Oc2ccc3nc(C)[nH]c3c2)C(=O)[C@@H](C)O1 ZINC001228326617 776461345 /nfs/dbraw/zinc/46/13/45/776461345.db2.gz JLUJWPPKXQYTOO-MRVPVSSYSA-N 0 1 272.304 2.860 20 30 CFEDMN C=C(C)CN1CCC[C@@H]1CNC(=O)c1cc(C)cs1 ZINC001027873596 776486873 /nfs/dbraw/zinc/48/68/73/776486873.db2.gz GSWWACLRGNJRHR-CYBMUJFWSA-N 0 1 278.421 2.827 20 30 CFEDMN CC#CCN1CCC[C@H]1CNC(=O)[C@H]1CCCC2(CC2)C1 ZINC001027882351 776489043 /nfs/dbraw/zinc/48/90/43/776489043.db2.gz MJKSGWRWQFHUSC-HOTGVXAUSA-N 0 1 288.435 2.561 20 30 CFEDMN C#CCCN1CCC[C@@H]1CNC(=O)c1sccc1Cl ZINC001027899127 776499298 /nfs/dbraw/zinc/49/92/98/776499298.db2.gz XUEBLWOQMRBZOR-LLVKDONJSA-N 0 1 296.823 2.619 20 30 CFEDMN C=CCN1CCC[C@H]1CNC(=O)c1ccc(C(C)C)nc1 ZINC001027932371 776517501 /nfs/dbraw/zinc/51/75/01/776517501.db2.gz WTGWMNOWAVSUDA-HNNXBMFYSA-N 0 1 287.407 2.585 20 30 CFEDMN CC#CCN1CCC[C@@H]1CNC(=O)[C@H]1CCC=CCCC1 ZINC001027967665 776533089 /nfs/dbraw/zinc/53/30/89/776533089.db2.gz WVFSPTNLKTVMFC-DLBZAZTESA-N 0 1 288.435 2.727 20 30 CFEDMN C=C(Cl)CNC[C@@H](C)N(C)C(=O)C[C@@H]1CC=CCC1 ZINC001268079028 776543653 /nfs/dbraw/zinc/54/36/53/776543653.db2.gz NSAYQKITHPGNIU-ZIAGYGMSSA-N 0 1 284.831 2.922 20 30 CFEDMN C#CCN1CCC[C@@H]1CNC(=O)c1ccc(CCCC)cc1 ZINC001028011639 776555306 /nfs/dbraw/zinc/55/53/06/776555306.db2.gz VTUYFQQADZBTOS-GOSISDBHSA-N 0 1 298.430 2.857 20 30 CFEDMN N#C[C@@H](Oc1ccc2[nH]nnc2c1)c1ccccc1F ZINC001228662270 776557862 /nfs/dbraw/zinc/55/78/62/776557862.db2.gz DYQAQGYGYLREBF-CQSZACIVSA-N 0 1 268.251 2.741 20 30 CFEDMN C#CCN1CCC[C@H]1CNC(=O)C1CCCCCCC1 ZINC001028016281 776558412 /nfs/dbraw/zinc/55/84/12/776558412.db2.gz GTKJVVCIONBPKY-INIZCTEOSA-N 0 1 276.424 2.561 20 30 CFEDMN C=C1O[C@H](C)C(=O)C1Oc1ccc([N+](=O)[O-])c(Cl)c1 ZINC001228759160 776600368 /nfs/dbraw/zinc/60/03/68/776600368.db2.gz VWHFOESWUGMDIJ-ZCFIWIBFSA-N 0 1 283.667 2.846 20 30 CFEDMN C=C(C)C[C@H](C)C(=O)NC1CCN(C/C=C/Cl)CC1 ZINC001228810553 776620814 /nfs/dbraw/zinc/62/08/14/776620814.db2.gz WXXDNCUQMLWHRL-LVDDQXARSA-N 0 1 284.831 2.922 20 30 CFEDMN C[C@@H](CS)Oc1[nH]c(=O)nc2ccc(Cl)cc21 ZINC001228911692 776655484 /nfs/dbraw/zinc/65/54/84/776655484.db2.gz HBUFZCPDXBEQJH-LURJTMIESA-N 0 1 270.741 2.686 20 30 CFEDMN C#C[C@@H](CC)Oc1[nH]c(=O)nc2ccc(Cl)cc21 ZINC001228911530 776656468 /nfs/dbraw/zinc/65/64/68/776656468.db2.gz DEQWSIYTTYLFIH-VIFPVBQESA-N 0 1 262.696 2.779 20 30 CFEDMN N#C[C@H]1CN(Cc2c(Cl)cccc2Cl)CCC1=O ZINC001203422719 776677310 /nfs/dbraw/zinc/67/73/10/776677310.db2.gz CYAGMRXBNRYTDH-VIFPVBQESA-N 0 1 283.158 2.908 20 30 CFEDMN C=CCN1CCC[C@H](NC(=O)[C@@H](C=C)c2ccccc2)C1 ZINC001268236185 776714481 /nfs/dbraw/zinc/71/44/81/776714481.db2.gz COGPNVOXBZMGIY-IRXDYDNUSA-N 0 1 284.403 2.723 20 30 CFEDMN C#C[C@@H]1CCC[C@@H]1Oc1[nH]c(=O)nc2cc(OC)ccc21 ZINC001229137895 776730601 /nfs/dbraw/zinc/73/06/01/776730601.db2.gz PDVIYHSRZUEVPY-YGRLFVJLSA-N 0 1 284.315 2.525 20 30 CFEDMN CC[NH+]1CCC(O/C(=N\[O-])c2ccc(Cl)cc2)CC1 ZINC001223594715 776738917 /nfs/dbraw/zinc/73/89/17/776738917.db2.gz BBCYLIJBGGPOFM-PEZBUJJGSA-N 0 1 282.771 2.977 20 30 CFEDMN C=CCC[C@H](C)N1CC(NC(=O)c2ccsc2C)C1 ZINC001268297036 776742786 /nfs/dbraw/zinc/74/27/86/776742786.db2.gz SVCROCSVYLMZHU-NSHDSACASA-N 0 1 278.421 2.825 20 30 CFEDMN C=CCC[C@H](C)N1CC(NC(=O)C[C@@H]2C[C@H]2C2CC2)C1 ZINC001268352001 776759446 /nfs/dbraw/zinc/75/94/46/776759446.db2.gz UFJJNACARKGLTO-NOLJZWGESA-N 0 1 276.424 2.578 20 30 CFEDMN C=CCN1CCC[C@@H]1CNC(=O)c1ccoc1CCC ZINC001028261835 776768174 /nfs/dbraw/zinc/76/81/74/776768174.db2.gz HPPSEJYZTHBXLX-CYBMUJFWSA-N 0 1 276.380 2.612 20 30 CFEDMN C=CCC[C@@H](CC)Oc1nc(C)[nH]c(=O)c1[N+](=O)[O-] ZINC001229378779 776794930 /nfs/dbraw/zinc/79/49/30/776794930.db2.gz MXKPHXGVTLWSRA-SECBINFHSA-N 0 1 267.285 2.522 20 30 CFEDMN C#CCN1CCC[C@@H]1CNC(=O)c1ccc(C(C)C)cc1 ZINC001028279752 776797546 /nfs/dbraw/zinc/79/75/46/776797546.db2.gz AQXYDMKVOGXVLG-QGZVFWFLSA-N 0 1 284.403 2.637 20 30 CFEDMN C#C[C@H]1CCC[C@H]1Oc1[nH]c(=O)nc2c(C)cccc12 ZINC001229408995 776804620 /nfs/dbraw/zinc/80/46/20/776804620.db2.gz ZAIJMPQGBISGQH-WCQYABFASA-N 0 1 268.316 2.825 20 30 CFEDMN C=CCC[C@H](C)N1CC(NC(=O)C(C)(C)C2CC2)C1 ZINC001268437626 776806468 /nfs/dbraw/zinc/80/64/68/776806468.db2.gz KQFFXLBNEDGTNM-LBPRGKRZSA-N 0 1 264.413 2.578 20 30 CFEDMN C#C[C@@H](CCCCC)Oc1nc(C)nc2[nH]cnc21 ZINC001229441397 776812613 /nfs/dbraw/zinc/81/26/13/776812613.db2.gz TWVXANFTGIYVMN-NSHDSACASA-N 0 1 258.325 2.622 20 30 CFEDMN C#CCN1CCC(NC(=O)[C@@H](C)CC2CCCCC2)CC1 ZINC001229444505 776813883 /nfs/dbraw/zinc/81/38/83/776813883.db2.gz JMCMVHHHUVQRFU-HNNXBMFYSA-N 0 1 290.451 2.807 20 30 CFEDMN C#CCN1CCC(NC(=O)[C@H](C)CC2CCCCC2)CC1 ZINC001229444506 776814649 /nfs/dbraw/zinc/81/46/49/776814649.db2.gz JMCMVHHHUVQRFU-OAHLLOKOSA-N 0 1 290.451 2.807 20 30 CFEDMN N#CC1(N[C@@H]2C[C@H]3C[C@H]3C2)CCN(Cc2ccccc2)CC1 ZINC001167909729 776830360 /nfs/dbraw/zinc/83/03/60/776830360.db2.gz PHYXZCXUCCDTIC-BCDXTJNWSA-N 0 1 295.430 2.933 20 30 CFEDMN CC#CCN1CCC[C@@H]1CNC(=O)c1ccoc1C(C)C ZINC001028344555 776865725 /nfs/dbraw/zinc/86/57/25/776865725.db2.gz JVDNQNRHEOHCFX-CQSZACIVSA-N 0 1 288.391 2.621 20 30 CFEDMN CCC1=C(Oc2nc3ccc(OC)cc3[nH]2)C(=O)[C@H](C)O1 ZINC001229728620 776880622 /nfs/dbraw/zinc/88/06/22/776880622.db2.gz AJTRXJUHKOZMRH-QMMMGPOBSA-N 0 1 288.303 2.560 20 30 CFEDMN CC#CCN1CCC[C@H](NC(=O)CC(C)(C)C2CC2)[C@H]1C ZINC001284124554 776897231 /nfs/dbraw/zinc/89/72/31/776897231.db2.gz WLMMFKYYDKLMFI-ZBFHGGJFSA-N 0 1 290.451 2.805 20 30 CFEDMN C=C(C)[C@@H]1CC[C@H](C)C[C@@H]1Oc1nc(C(=O)OC)c[n-]1 ZINC001230282028 776971134 /nfs/dbraw/zinc/97/11/34/776971134.db2.gz NXYQACHTQLWUKC-GVXVVHGQSA-N 0 1 278.352 2.956 20 30 CFEDMN C=C(C)[C@@H]1CC[C@H](C)C[C@@H]1Oc1nc(C(=O)OC)c[nH]1 ZINC001230282028 776971138 /nfs/dbraw/zinc/97/11/38/776971138.db2.gz NXYQACHTQLWUKC-GVXVVHGQSA-N 0 1 278.352 2.956 20 30 CFEDMN C=C/C(C)=C\CC(=O)N[C@H](C)CNCc1ccccc1C#N ZINC001268658165 777011080 /nfs/dbraw/zinc/01/10/80/777011080.db2.gz OPORQOZFIJSVAS-KQGZCTBQSA-N 0 1 297.402 2.675 20 30 CFEDMN C#C[C@@H]1CCC[C@@H]1Oc1cc2[nH]ncc2cc1[N+](=O)[O-] ZINC001230600148 777022868 /nfs/dbraw/zinc/02/28/68/777022868.db2.gz CGENNKOJTAYRNS-RNCFNFMXSA-N 0 1 271.276 2.652 20 30 CFEDMN C=CCCC(=O)N[C@H](C)CN(C)Cc1cc(F)cc(F)c1 ZINC001268725285 777034791 /nfs/dbraw/zinc/03/47/91/777034791.db2.gz SKAVWKWVQUSVJL-GFCCVEGCSA-N 0 1 296.361 2.868 20 30 CFEDMN C=CC(C)(C)C(=O)N[C@H](C)CN(C)Cc1ccsc1 ZINC001268741339 777041567 /nfs/dbraw/zinc/04/15/67/777041567.db2.gz QEABSSDKWURDES-GFCCVEGCSA-N 0 1 280.437 2.897 20 30 CFEDMN C=CCN1CC[C@H]1CN(C)C(=O)CC1CCCCC1 ZINC001230682241 777042860 /nfs/dbraw/zinc/04/28/60/777042860.db2.gz UEBBBSZZSPOPET-HNNXBMFYSA-N 0 1 264.413 2.676 20 30 CFEDMN C=CC[N@H+](C)C[C@H](C)NC(=O)c1cccc(Cl)c1 ZINC001268754981 777046227 /nfs/dbraw/zinc/04/62/27/777046227.db2.gz NWOGVMYFRYRYGD-NSHDSACASA-N 0 1 266.772 2.576 20 30 CFEDMN C#CCCN1CC[C@@H]1CN(C)C(=O)CC1CCCCC1 ZINC001230701207 777046690 /nfs/dbraw/zinc/04/66/90/777046690.db2.gz CMDNWUBBJXDIGD-MRXNPFEDSA-N 0 1 276.424 2.513 20 30 CFEDMN C=C(C)CCC(=O)N(C)CCCNCc1nc(C)c(C)o1 ZINC001268796191 777056909 /nfs/dbraw/zinc/05/69/09/777056909.db2.gz RQSKTQKFNHGMIS-UHFFFAOYSA-N 0 1 293.411 2.586 20 30 CFEDMN C=CCN1CC(CNC(=O)C[C@H](C)c2cccc(F)c2)C1 ZINC001268879418 777069064 /nfs/dbraw/zinc/06/90/64/777069064.db2.gz PZRPZSPUZUMMLH-ZDUSSCGKSA-N 0 1 290.382 2.553 20 30 CFEDMN CC#C[C@@H](CC)Oc1[nH]c(=O)nc2cc(F)ccc21 ZINC001230882984 777080479 /nfs/dbraw/zinc/08/04/79/777080479.db2.gz IJIGJSPZARUXBC-SNVBAGLBSA-N 0 1 260.268 2.655 20 30 CFEDMN C=C[C@]1(C)CC[C@@H](Oc2nncc3n[nH]cc32)C(C)(C)O1 ZINC001230901772 777088319 /nfs/dbraw/zinc/08/83/19/777088319.db2.gz UETAMWMMMSBYMP-IUODEOHRSA-N 0 1 288.351 2.634 20 30 CFEDMN C=CCN1CC[C@@H]1CN(C)C(=O)C=C1CCCCC1 ZINC001231025038 777118212 /nfs/dbraw/zinc/11/82/12/777118212.db2.gz HLESRJJKPMHRAW-OAHLLOKOSA-N 0 1 262.397 2.596 20 30 CFEDMN C=CCN1CC[C@H]1CN(C)C(=O)C=C1CCCCC1 ZINC001231025036 777118890 /nfs/dbraw/zinc/11/88/90/777118890.db2.gz HLESRJJKPMHRAW-HNNXBMFYSA-N 0 1 262.397 2.596 20 30 CFEDMN CC#CCN1CC[C@@H](NC(=O)CCC2CCCCCC2)C1 ZINC001269147155 777120512 /nfs/dbraw/zinc/12/05/12/777120512.db2.gz HQULIAPCMROWSM-QGZVFWFLSA-N 0 1 290.451 2.951 20 30 CFEDMN C#CCCCC(=O)NC[C@H]1CCN1Cc1ccc(CC)cc1 ZINC001269222808 777144223 /nfs/dbraw/zinc/14/42/23/777144223.db2.gz IWYVYVUZKDIUMG-GOSISDBHSA-N 0 1 298.430 2.743 20 30 CFEDMN CCc1ccccc1CN1CC[C@H]1CNC(=O)C#CC(C)C ZINC001269230148 777145941 /nfs/dbraw/zinc/14/59/41/777145941.db2.gz WROCDUUYOMDJAH-SFHVURJKSA-N 0 1 298.430 2.599 20 30 CFEDMN C=CCN1CC[C@H]1CN(C)C(=O)C[C@H](C)CCC ZINC001231132322 777151234 /nfs/dbraw/zinc/15/12/34/777151234.db2.gz SCDWUQMOBJQACQ-KGLIPLIRSA-N 0 1 252.402 2.531 20 30 CFEDMN C=C(C)CN1CC[C@@H]1CN(C)C(=O)C[C@H](C)CCC ZINC001231129500 777151411 /nfs/dbraw/zinc/15/14/11/777151411.db2.gz CJHHVNPZUWAHIM-HUUCEWRRSA-N 0 1 266.429 2.922 20 30 CFEDMN CC#CCN1CC[C@H](N(C)C(=O)C2(CCCC)CC2)C1 ZINC001269273767 777155741 /nfs/dbraw/zinc/15/57/41/777155741.db2.gz BUOAZSCQWPBFRB-HNNXBMFYSA-N 0 1 276.424 2.513 20 30 CFEDMN CC#CCCCC(=O)NC[C@H]1CCN1CC1=CCCCC1 ZINC001269278648 777156428 /nfs/dbraw/zinc/15/64/28/777156428.db2.gz MMQAZMUKJSQJDF-QGZVFWFLSA-N 0 1 288.435 2.871 20 30 CFEDMN CC#CCCCC(=O)NC[C@@H]1CCN1CC1=CCCCC1 ZINC001269278647 777156627 /nfs/dbraw/zinc/15/66/27/777156627.db2.gz MMQAZMUKJSQJDF-KRWDZBQOSA-N 0 1 288.435 2.871 20 30 CFEDMN C=C(C)CN1CC[C@@H]1CNC(=O)[C@@H](CC)CCC ZINC001269327759 777170972 /nfs/dbraw/zinc/17/09/72/777170972.db2.gz ZDTULZVSGYPDLW-UONOGXRCSA-N 0 1 252.402 2.579 20 30 CFEDMN O=C(c1ccccc1O)c1ccccc1O[C@@H]1C=CC(=O)C1 ZINC001231210075 777171653 /nfs/dbraw/zinc/17/16/53/777171653.db2.gz IATBABVHUGHWGH-CYBMUJFWSA-N 0 1 294.306 2.900 20 30 CFEDMN CC#CCN1CC[C@@H](N(CC)C(=O)C[C@H]2CC=CCC2)C1 ZINC001269339292 777174535 /nfs/dbraw/zinc/17/45/35/777174535.db2.gz LCXJDKSTXONPLE-DLBZAZTESA-N 0 1 288.435 2.679 20 30 CFEDMN C=C(Cl)CN[C@@H](CC)CNC(=O)C[C@H]1C=CCCC1 ZINC001269426542 777188269 /nfs/dbraw/zinc/18/82/69/777188269.db2.gz ZNSZNILSKUYNBO-KBPBESRZSA-N 0 1 284.831 2.970 20 30 CFEDMN CC(C)CC(=O)NCCCN(C)CC#Cc1ccccc1 ZINC001231318229 777191228 /nfs/dbraw/zinc/19/12/28/777191228.db2.gz AGOZTTYXXYLRSG-UHFFFAOYSA-N 0 1 286.419 2.522 20 30 CFEDMN C#C[C@H]1CCC[C@H]1Oc1[nH]c(=O)nc2c(OC)cccc12 ZINC001231347435 777197087 /nfs/dbraw/zinc/19/70/87/777197087.db2.gz LBVOKVSFVHBZLI-CMPLNLGQSA-N 0 1 284.315 2.525 20 30 CFEDMN C#CC[C@H](CC)Oc1[nH]c(=O)nc2c(OC)cccc12 ZINC001231347736 777198286 /nfs/dbraw/zinc/19/82/86/777198286.db2.gz QMBLNFGNMDFJMQ-JTQLQIEISA-N 0 1 272.304 2.525 20 30 CFEDMN C#CCN(C)CCN(C(=O)[C@H]1CCC[C@H](C)C1)C(C)C ZINC001284543871 777208725 /nfs/dbraw/zinc/20/87/25/777208725.db2.gz AOYARXGCTFURCY-HOTGVXAUSA-N 0 1 278.440 2.615 20 30 CFEDMN C=CCCCC(=O)N(C)C1CN([C@@H](C)CCC=C)C1 ZINC001269837728 777255930 /nfs/dbraw/zinc/25/59/30/777255930.db2.gz BATPQPCSOKBSIE-AWEZNQCLSA-N 0 1 264.413 2.840 20 30 CFEDMN C=CCCN1CC(N(C)C(=O)CCCc2cccs2)C1 ZINC001269886229 777265393 /nfs/dbraw/zinc/26/53/93/777265393.db2.gz BAYSFDBDOFBKDK-UHFFFAOYSA-N 0 1 292.448 2.790 20 30 CFEDMN C=C(C)CCN1CC(N(C)C(=O)C[C@H](C)C2CC2)C1 ZINC001269893613 777266951 /nfs/dbraw/zinc/26/69/51/777266951.db2.gz SYUHXEBJBLVUSS-ZDUSSCGKSA-N 0 1 264.413 2.531 20 30 CFEDMN C=C(C)CCC(=O)N1CC[C@@H](NCc2ccon2)C[C@@H]1C ZINC001269939896 777277208 /nfs/dbraw/zinc/27/72/08/777277208.db2.gz ZKKWEBFMGFCIHQ-UONOGXRCSA-N 0 1 291.395 2.500 20 30 CFEDMN COc1cc(C#N)ccc1CN1CC[C@@H]2CCCO[C@H]2C1 ZINC001231616768 777280672 /nfs/dbraw/zinc/28/06/72/777280672.db2.gz KJASOZQIDVEKCO-YOEHRIQHSA-N 0 1 286.375 2.568 20 30 CFEDMN C=CCOc1cccc(CN2C[C@@H]3OCC(F)(F)[C@@H]3C2)c1 ZINC001231621770 777282271 /nfs/dbraw/zinc/28/22/71/777282271.db2.gz IPSOTSJOQNGNGG-CABCVRRESA-N 0 1 295.329 2.717 20 30 CFEDMN C#Cc1cccc(CN2CCN(c3ccc(O)cc3)CC2)c1 ZINC001231656018 777294392 /nfs/dbraw/zinc/29/43/92/777294392.db2.gz ILCAUFNTMYKFQZ-UHFFFAOYSA-N 0 1 292.382 2.696 20 30 CFEDMN C#Cc1cccc(CN2CCN(c3ccccc3)CC2)c1 ZINC001231655823 777294707 /nfs/dbraw/zinc/29/47/07/777294707.db2.gz FMWQZOZTONNEFK-UHFFFAOYSA-N 0 1 276.383 2.990 20 30 CFEDMN Oc1cc(CN2CCC(S)CC2)ccc1Cl ZINC001231734249 777317744 /nfs/dbraw/zinc/31/77/44/777317744.db2.gz VBUDMZQZDSITFV-UHFFFAOYSA-N 0 1 257.786 2.940 20 30 CFEDMN C=CCCCC[N@H+](C)Cc1ccccc1OCC(=O)[O-] ZINC001231797486 777338001 /nfs/dbraw/zinc/33/80/01/777338001.db2.gz VISHSJRUYWVMTE-UHFFFAOYSA-N 0 1 277.364 2.938 20 30 CFEDMN C#CCN1CCC(C)(NC(=O)CC2CCCCCC2)CC1 ZINC001270249176 777340394 /nfs/dbraw/zinc/34/03/94/777340394.db2.gz PATDDCXGAQGNNR-UHFFFAOYSA-N 0 1 290.451 2.951 20 30 CFEDMN C#CCCCCC(=O)N(C)C1CN([C@H](C)CCC=C)C1 ZINC001277580094 777361027 /nfs/dbraw/zinc/36/10/27/777361027.db2.gz CCGVZXPRZXSSCN-OAHLLOKOSA-N 0 1 276.424 2.677 20 30 CFEDMN C=CC(C)(C)C(=O)NC[C@@H](C)CN[C@@H](C)c1ncc(C)o1 ZINC001270478139 777391378 /nfs/dbraw/zinc/39/13/78/777391378.db2.gz MODHCSSGDGTWJO-AAEUAGOBSA-N 0 1 293.411 2.598 20 30 CFEDMN CCCC[C@@H](CC)CN1C[C@H]2C[C@@H](C1)N2C(=O)[C@H](C)C#N ZINC001270501575 777395044 /nfs/dbraw/zinc/39/50/44/777395044.db2.gz NCZAJRAIPNKYEG-FPCVCCKLSA-N 0 1 291.439 2.648 20 30 CFEDMN C=CCC[C@H](C)N1CCO[C@H](CNC(=O)CCC(C)C)C1 ZINC001270621336 777424871 /nfs/dbraw/zinc/42/48/71/777424871.db2.gz XXOQCVRTTQBCGC-JKSUJKDBSA-N 0 1 296.455 2.594 20 30 CFEDMN C[C@@H]1CCN(Cc2ccc(C#N)c(Cl)c2)C[C@]1(C)O ZINC001232111192 777443017 /nfs/dbraw/zinc/44/30/17/777443017.db2.gz BOMKAXMUTFAVGL-ABAIWWIYSA-N 0 1 278.783 2.804 20 30 CFEDMN N#Cc1ccc(CN2CCCC[C@@](O)(CF)C2)cc1Cl ZINC001232111677 777443782 /nfs/dbraw/zinc/44/37/82/777443782.db2.gz JJUIEKSDBYVAQZ-OAHLLOKOSA-N 0 1 296.773 2.898 20 30 CFEDMN N#Cc1ccc(CN2CC[C@@H](O)[C@H](F)CC2)cc1Cl ZINC001232112217 777443837 /nfs/dbraw/zinc/44/38/37/777443837.db2.gz RORVUJFNTULNPI-ZIAGYGMSSA-N 0 1 282.746 2.506 20 30 CFEDMN C=CCN1CC[C@H](NC(=O)c2sccc2C)[C@H]1CC ZINC001087488579 777498012 /nfs/dbraw/zinc/49/80/12/777498012.db2.gz HZPNJEKWUMHYKM-QWHCGFSZSA-N 0 1 278.421 2.825 20 30 CFEDMN C[C@H](CC(C)(C)S)Oc1n[nH]c2ncccc12 ZINC001226304792 777499558 /nfs/dbraw/zinc/49/95/58/777499558.db2.gz GCKJBTZYZMYYAY-MRVPVSSYSA-N 0 1 251.355 2.824 20 30 CFEDMN COc1ccc(CN2CCC[C@H](CC#N)C2)c(C)n1 ZINC001232335473 777526914 /nfs/dbraw/zinc/52/69/14/777526914.db2.gz ZRMIZXCWYPUAQO-CYBMUJFWSA-N 0 1 259.353 2.524 20 30 CFEDMN N#C[C@H]1CCN(Cc2cc(F)c(O)c(Br)c2)C1 ZINC001232633054 777625997 /nfs/dbraw/zinc/62/59/97/777625997.db2.gz CTJLLXDVWRJJAA-MRVPVSSYSA-N 0 1 299.143 2.639 20 30 CFEDMN C[C@H](C#N)N(C)Cc1cc(F)c(O)c(Br)c1 ZINC001232637109 777627354 /nfs/dbraw/zinc/62/73/54/777627354.db2.gz MXRHSLRPRWQYFP-SSDOTTSWSA-N 0 1 287.132 2.638 20 30 CFEDMN N#Cc1ccc(O)c(CN2Cc3ccc(F)cc3C2)c1 ZINC001232679396 777640260 /nfs/dbraw/zinc/64/02/60/777640260.db2.gz IYFLBEKXZJZCSH-UHFFFAOYSA-N 0 1 268.291 2.919 20 30 CFEDMN N#Cc1ccc([O-])c(C[N@@H+]2Cc3ccc(F)cc3C2)c1 ZINC001232679396 777640262 /nfs/dbraw/zinc/64/02/62/777640262.db2.gz IYFLBEKXZJZCSH-UHFFFAOYSA-N 0 1 268.291 2.919 20 30 CFEDMN N#Cc1ccc([O-])c(C[N@H+]2Cc3ccc(F)cc3C2)c1 ZINC001232679396 777640265 /nfs/dbraw/zinc/64/02/65/777640265.db2.gz IYFLBEKXZJZCSH-UHFFFAOYSA-N 0 1 268.291 2.919 20 30 CFEDMN N#Cc1cccc(CN2CCC(c3cn[nH]c3)CC2)c1F ZINC000340911630 777643189 /nfs/dbraw/zinc/64/31/89/777643189.db2.gz GDUPVERNVPSOOL-UHFFFAOYSA-N 0 1 284.338 2.800 20 30 CFEDMN COC(=O)c1ccc(CN2CCC[C@H](C#N)CC2)cc1F ZINC001232705373 777645121 /nfs/dbraw/zinc/64/51/21/777645121.db2.gz BYQHTWDDZOMYHQ-LBPRGKRZSA-N 0 1 290.338 2.738 20 30 CFEDMN COC(=O)c1ccc(CN2CCC[C@@H](C#N)CC2)cc1F ZINC001232705372 777645304 /nfs/dbraw/zinc/64/53/04/777645304.db2.gz BYQHTWDDZOMYHQ-GFCCVEGCSA-N 0 1 290.338 2.738 20 30 CFEDMN CC#CCN1CC[C@H](NC(=O)c2c(C)coc2C)[C@H]1CC ZINC001087561392 777655703 /nfs/dbraw/zinc/65/57/03/777655703.db2.gz SROVOVGXUIUWQG-LSDHHAIUSA-N 0 1 288.391 2.502 20 30 CFEDMN C#CCN1CC[C@H](NC(=O)C2(C)CCCCCC2)[C@H]1CC ZINC001087605577 777666969 /nfs/dbraw/zinc/66/69/69/777666969.db2.gz JOZIZWLFMCKVSK-JKSUJKDBSA-N 0 1 290.451 2.949 20 30 CFEDMN CCCCOC(=O)[C@H]1CC[N@@H+](Cc2ccc(C#N)s2)C1 ZINC001232844811 777692082 /nfs/dbraw/zinc/69/20/82/777692082.db2.gz DZAXOXFYLIUCGU-LBPRGKRZSA-N 0 1 292.404 2.785 20 30 CFEDMN CCCCOC(=O)[C@H]1CCN(Cc2ccc(C#N)s2)C1 ZINC001232844811 777692085 /nfs/dbraw/zinc/69/20/85/777692085.db2.gz DZAXOXFYLIUCGU-LBPRGKRZSA-N 0 1 292.404 2.785 20 30 CFEDMN CC#CCN1CC[C@H](NC(=O)[C@H]2CC23CCCC3)[C@H]1CC ZINC001087785724 777699478 /nfs/dbraw/zinc/69/94/78/777699478.db2.gz UKVVKYNPBWVBTA-OWCLPIDISA-N 0 1 288.435 2.559 20 30 CFEDMN COC1C[C@H]2CC[C@@H](C1)N2Cc1cc(F)ccc1C#N ZINC001232893368 777709116 /nfs/dbraw/zinc/70/91/16/777709116.db2.gz VUVJCFPNVIEUFO-XYPWUTKMSA-N 0 1 274.339 2.839 20 30 CFEDMN N#Cc1cccc(CN2CCC3(CC(F)C3)CC2)n1 ZINC001232923485 777722113 /nfs/dbraw/zinc/72/21/13/777722113.db2.gz YBURNDGWRMKMFL-UHFFFAOYSA-N 0 1 259.328 2.667 20 30 CFEDMN FC(F)Oc1ccc(CN2CCC(S)CC2)cn1 ZINC001232954742 777736769 /nfs/dbraw/zinc/73/67/69/777736769.db2.gz HDZNANKBHGEGMQ-UHFFFAOYSA-N 0 1 274.336 2.577 20 30 CFEDMN N#C[C@@H]1CCCN(Cc2ccc(OC(F)F)nc2)CC1 ZINC001232956405 777739274 /nfs/dbraw/zinc/73/92/74/777739274.db2.gz UWBHXROPBQSXTK-LLVKDONJSA-N 0 1 281.306 2.809 20 30 CFEDMN COC(=O)[C@@H]1CC[C@@H](C)N(Cc2ccc(C)cc2C#N)C1 ZINC001232964133 777741634 /nfs/dbraw/zinc/74/16/34/777741634.db2.gz QODBSBXYUDRAOJ-UKRRQHHQSA-N 0 1 286.375 2.640 20 30 CFEDMN C=C[C@@](C)(CC)C(=O)N1C[C@H]2CC[C@@H](C1)N2CC(=C)C ZINC001029454334 777741831 /nfs/dbraw/zinc/74/18/31/777741831.db2.gz ZJUJEUFBFXQBTG-UXLLHSPISA-N 0 1 276.424 2.840 20 30 CFEDMN C#C[C@H]1CCCN(Cc2[nH]nc3cc(F)ccc32)C1 ZINC001233123271 777801338 /nfs/dbraw/zinc/80/13/38/777801338.db2.gz LHCMLRSAOHMFRJ-NSHDSACASA-N 0 1 257.312 2.547 20 30 CFEDMN COc1ccccc1CC[N@@H+](C)Cc1ccc(C#N)cc1[O-] ZINC001233386050 777927248 /nfs/dbraw/zinc/92/72/48/777927248.db2.gz DNWUHVHGOOYUKJ-UHFFFAOYSA-N 0 1 296.370 2.947 20 30 CFEDMN C[N@@H+](Cc1ccsc1)Cc1ccc(C#N)cc1[O-] ZINC001233386307 777927480 /nfs/dbraw/zinc/92/74/80/777927480.db2.gz OGTGAIKIBZNAOW-UHFFFAOYSA-N 0 1 258.346 2.957 20 30 CFEDMN N#C[C@H](Oc1n[nH]c(=O)cc1Cl)c1cccc(F)c1 ZINC001233591572 778002859 /nfs/dbraw/zinc/00/28/59/778002859.db2.gz XXMFWIIQAOBORS-JTQLQIEISA-N 0 1 279.658 2.618 20 30 CFEDMN C=C1O[C@@H](C)C(=O)C1Oc1ccc(Cl)c(C#N)c1 ZINC001233922978 778114065 /nfs/dbraw/zinc/11/40/65/778114065.db2.gz HYQNKFGTOISKLM-ZETCQYMHSA-N 0 1 263.680 2.810 20 30 CFEDMN CC(C)(C)N1CC(Oc2ccc3cc(C#N)[nH]c3c2)C1 ZINC001233997253 778134422 /nfs/dbraw/zinc/13/44/22/778134422.db2.gz VQDGMGGXIXSQPX-UHFFFAOYSA-N 0 1 269.348 2.901 20 30 CFEDMN C=C(Cl)CNC[C@@H]1CCCN1C(=O)/C=C\C(C)(C)C ZINC001277824352 778135155 /nfs/dbraw/zinc/13/51/55/778135155.db2.gz WZISAJQASOSFGK-WSROAFLRSA-N 0 1 284.831 2.922 20 30 CFEDMN C=C(Cl)CNC[C@H]1CCCN1C(=O)/C=C/C(C)(C)C ZINC001277824351 778135167 /nfs/dbraw/zinc/13/51/67/778135167.db2.gz WZISAJQASOSFGK-SBDDDAINSA-N 0 1 284.831 2.922 20 30 CFEDMN C=C(C)CN1CC[C@@H]1CN(C)C(=O)CC(C)(C)CC ZINC001234529469 778244647 /nfs/dbraw/zinc/24/46/47/778244647.db2.gz ZCTIQLULRWJQJO-CQSZACIVSA-N 0 1 266.429 2.922 20 30 CFEDMN C=CCCN1CC[C@@H]1CNC(=O)c1c(C)oc(C)c1C ZINC001038476389 778296625 /nfs/dbraw/zinc/29/66/25/778296625.db2.gz DSIKWKJTADKDPQ-CQSZACIVSA-N 0 1 276.380 2.585 20 30 CFEDMN C#C[C@@H](Oc1ccccc1C=NO)c1ccncc1 ZINC001234819055 778302053 /nfs/dbraw/zinc/30/20/53/778302053.db2.gz GQROAIVTJPXICN-CQSZACIVSA-N 0 1 252.273 2.643 20 30 CFEDMN ON=Cc1ccccc1OC[C@H]1COc2ccccc2O1 ZINC001234822149 778303178 /nfs/dbraw/zinc/30/31/78/778303178.db2.gz KXOOYKQMUNWGOF-ZDUSSCGKSA-N 0 1 285.299 2.714 20 30 CFEDMN Cc1nnc(-c2ccc(CN3CCC(C#N)CC3)cc2)o1 ZINC001235043972 778365389 /nfs/dbraw/zinc/36/53/89/778365389.db2.gz FTVAQGROOWJXDV-UHFFFAOYSA-N 0 1 282.347 2.781 20 30 CFEDMN C=C(C)C(=O)Nc1sc(N)c2c1CN(CCC)CC2 ZINC001142509411 778395683 /nfs/dbraw/zinc/39/56/83/778395683.db2.gz AVKZETWUEUHTMU-UHFFFAOYSA-N 0 1 279.409 2.613 20 30 CFEDMN C=CCN1CC[C@H]1CN(C)C(=O)CC1(c2ccccc2)CC1 ZINC001235139880 778395725 /nfs/dbraw/zinc/39/57/25/778395725.db2.gz CZJMXDKUYMXHEL-KRWDZBQOSA-N 0 1 298.430 2.827 20 30 CFEDMN C=C(C)C(=O)N1CCC(c2n[nH]c3ccccc32)CC1 ZINC001142511406 778396854 /nfs/dbraw/zinc/39/68/54/778396854.db2.gz HDKCIUBKZHCXQU-UHFFFAOYSA-N 0 1 269.348 2.845 20 30 CFEDMN C#CCC[N@@H+]1CCCN(C(=O)C(C)(C)c2ccccc2)CC1 ZINC000989630340 778420980 /nfs/dbraw/zinc/42/09/80/778420980.db2.gz YDNPGISOSHAXEG-UHFFFAOYSA-N 0 1 298.430 2.522 20 30 CFEDMN C#CCCN1CCCN(C(=O)C(C)(C)c2ccccc2)CC1 ZINC000989630340 778420983 /nfs/dbraw/zinc/42/09/83/778420983.db2.gz YDNPGISOSHAXEG-UHFFFAOYSA-N 0 1 298.430 2.522 20 30 CFEDMN C=CCN1CCCN(C(=O)[C@H](C)c2cccc(F)c2)CC1 ZINC000989697475 778423221 /nfs/dbraw/zinc/42/32/21/778423221.db2.gz VOHKQFXFJRYQSM-CQSZACIVSA-N 0 1 290.382 2.650 20 30 CFEDMN N#CC(C(=O)Nc1ccccc1)C(=O)c1ccc(Cl)o1 ZINC000127971461 778463084 /nfs/dbraw/zinc/46/30/84/778463084.db2.gz QPACZKNDEVFHBZ-JTQLQIEISA-N 0 1 288.690 2.894 20 30 CFEDMN CC1=C(OCCOc2cccc(C)c2)C(=O)[C@H](C)O1 ZINC001224408278 778501143 /nfs/dbraw/zinc/50/11/43/778501143.db2.gz XKKLKILOQPXBDE-NSHDSACASA-N 0 1 262.305 2.610 20 30 CFEDMN CC[C@@]12C[C@@H](CO1)N(Cc1ccccc1CC#N)C2 ZINC001235524761 778511331 /nfs/dbraw/zinc/51/13/31/778511331.db2.gz ACHKNYAGIYQAGC-HOTGVXAUSA-N 0 1 256.349 2.506 20 30 CFEDMN C=CC[N@@H+]1CC[C@@H]1CN(C)C(=O)C/C=C\Cc1ccccc1 ZINC001235549645 778517544 /nfs/dbraw/zinc/51/75/44/778517544.db2.gz IFROQSIMODWZHW-JTHGQSKGSA-N 0 1 298.430 2.894 20 30 CFEDMN C=CCN1CC[C@@H]1CN(C)C(=O)C/C=C\Cc1ccccc1 ZINC001235549645 778517549 /nfs/dbraw/zinc/51/75/49/778517549.db2.gz IFROQSIMODWZHW-JTHGQSKGSA-N 0 1 298.430 2.894 20 30 CFEDMN C=CCCN1CC[C@H]1CNC(=O)c1ccc(CC)s1 ZINC001038494087 778520630 /nfs/dbraw/zinc/52/06/30/778520630.db2.gz ZVQIMXZQJJMAHL-LBPRGKRZSA-N 0 1 278.421 2.691 20 30 CFEDMN C#CCN(CC#C)Cc1ccc(C(C)(C)C)cc1O ZINC001235680162 778534173 /nfs/dbraw/zinc/53/41/73/778534173.db2.gz JFHFKLOEFMCQDR-UHFFFAOYSA-N 0 1 255.361 2.758 20 30 CFEDMN C=CCN(C(=O)[C@H]1CC2CCN1CC2)C1CCCCC1 ZINC001142632292 778535651 /nfs/dbraw/zinc/53/56/51/778535651.db2.gz IKGJWPIVNPBRQV-MRXNPFEDSA-N 0 1 276.424 2.818 20 30 CFEDMN CCCN(CCC#N)Cc1nc2ccc(F)cc2[nH]1 ZINC001235696139 778540758 /nfs/dbraw/zinc/54/07/58/778540758.db2.gz FRCNPWLIKUWINQ-UHFFFAOYSA-N 0 1 260.316 2.828 20 30 CFEDMN CC[C@H]1OC(C)=C(OCCCO[C@H]2CCCCO2)C1=O ZINC001224532836 778563427 /nfs/dbraw/zinc/56/34/27/778563427.db2.gz ZGQIDNHRCFUQEG-OLZOCXBDSA-N 0 1 284.352 2.546 20 30 CFEDMN C=CC[N@H+](CC(=O)[O-])Cc1cc(F)cc(C(F)(F)F)c1 ZINC000159385296 778564275 /nfs/dbraw/zinc/56/42/75/778564275.db2.gz ZSATWSNBUGXMNB-UHFFFAOYSA-N 0 1 291.244 2.917 20 30 CFEDMN C=CC[N@@H+]1C[C@@H]2CCN(C(=O)c3cc(C)cc(C)c3)[C@@H]2C1 ZINC001076497983 778593024 /nfs/dbraw/zinc/59/30/24/778593024.db2.gz XZLHZCRWLXZRGW-DOTOQJQBSA-N 0 1 284.403 2.636 20 30 CFEDMN CCOc1ccccc1NC(=O)C(C#N)=C([O-])c1ccco1 ZINC000128899145 778633880 /nfs/dbraw/zinc/63/38/80/778633880.db2.gz AUWYCANDPYADRT-NSHDSACASA-N 0 1 298.298 2.639 20 30 CFEDMN CCOc1ccccc1NC(=O)C(C#N)C(=O)c1ccco1 ZINC000128899145 778633882 /nfs/dbraw/zinc/63/38/82/778633882.db2.gz AUWYCANDPYADRT-NSHDSACASA-N 0 1 298.298 2.639 20 30 CFEDMN COc1ccccc1NC(=O)C(C#N)C(=O)C1CCCC1 ZINC000129802051 778836212 /nfs/dbraw/zinc/83/62/12/778836212.db2.gz DZRJKRNXLHAOHH-LBPRGKRZSA-N 0 1 286.331 2.533 20 30 CFEDMN CN1CCN(c2ccc(-c3ccc(C#N)cc3F)nc2)CC1 ZINC001236534369 778868578 /nfs/dbraw/zinc/86/85/78/778868578.db2.gz BWSDJIPJFIAVCW-UHFFFAOYSA-N 0 1 296.349 2.511 20 30 CFEDMN C#C[C@H]1CCCN(Cc2cc(F)cc3c2OCCC3)C1 ZINC001236629593 778898598 /nfs/dbraw/zinc/89/85/98/778898598.db2.gz LOLKUCZROVRYSW-ZDUSSCGKSA-N 0 1 273.351 2.996 20 30 CFEDMN C=CCN1CC[C@H](NC(=O)c2cc(F)ccc2Cl)[C@H]1C ZINC001088878347 778932534 /nfs/dbraw/zinc/93/25/34/778932534.db2.gz PBTFXYRPAVNWLJ-YGRLFVJLSA-N 0 1 296.773 2.858 20 30 CFEDMN C#CC1CCN(Cc2cc(Cl)cc(C(=O)OC)c2)CC1 ZINC001236779777 778933474 /nfs/dbraw/zinc/93/34/74/778933474.db2.gz VVBCNTXTXXHCSK-UHFFFAOYSA-N 0 1 291.778 2.972 20 30 CFEDMN C=CCN1CC[C@H](NC(=O)c2ccsc2Cl)[C@H]1C ZINC001088899518 778941746 /nfs/dbraw/zinc/94/17/46/778941746.db2.gz LEVAGKREAJYXIB-KOLCDFICSA-N 0 1 284.812 2.780 20 30 CFEDMN C=CCN1CC[C@H](NC(=O)c2ccc3ccncc3c2)[C@H]1C ZINC001088961250 778961978 /nfs/dbraw/zinc/96/19/78/778961978.db2.gz USBQLYACPBZTAP-DYVFJYSZSA-N 0 1 295.386 2.613 20 30 CFEDMN C=CCN1CC[C@H](NC(=O)[C@H](C)c2ccc(C)s2)[C@H]1C ZINC001088979882 778965455 /nfs/dbraw/zinc/96/54/55/778965455.db2.gz KRXSLBAPRIMXNN-MCIONIFRSA-N 0 1 292.448 2.925 20 30 CFEDMN C=CCN1CC[C@H](NC(=O)[C@@H](C)c2ccc(C)s2)[C@H]1C ZINC001088979883 778965699 /nfs/dbraw/zinc/96/56/99/778965699.db2.gz KRXSLBAPRIMXNN-MJBXVCDLSA-N 0 1 292.448 2.925 20 30 CFEDMN C=C(C)C[N@@H+]1CC[C@H](NC(=O)c2ccc(C3CC3)cn2)[C@H]1C ZINC001089013860 778973583 /nfs/dbraw/zinc/97/35/83/778973583.db2.gz PCHRZQREOQBTBM-CJNGLKHVSA-N 0 1 299.418 2.728 20 30 CFEDMN CC#CCN1CC[C@H](NC(=O)c2ccc(C)cc2C)[C@H]1C ZINC001089017360 778973985 /nfs/dbraw/zinc/97/39/85/778973985.db2.gz ACTNYODOEFWZHI-WBVHZDCISA-N 0 1 284.403 2.519 20 30 CFEDMN C#Cc1ccc(C(=O)NC2CN(CC(CC)CC)C2)cc1 ZINC001030776965 779019206 /nfs/dbraw/zinc/01/92/06/779019206.db2.gz HRIOLODTMMNOTE-UHFFFAOYSA-N 0 1 284.403 2.518 20 30 CFEDMN C=C1CCC(C(=O)NC2CN(C[C@H](C)CC)C2)CC1 ZINC001030899880 779086680 /nfs/dbraw/zinc/08/66/80/779086680.db2.gz JAKXXRFHVQTLBN-GFCCVEGCSA-N 0 1 264.413 2.579 20 30 CFEDMN C#CCOc1ccc(C(=O)Nc2cc(C#N)ccc2O)cc1 ZINC000176407067 779125736 /nfs/dbraw/zinc/12/57/36/779125736.db2.gz XOEJUDBOVQTHRT-UHFFFAOYSA-N 0 1 292.294 2.528 20 30 CFEDMN C[C@@H]1CN(Cc2cc(C#N)c(F)cc2F)CCC[C@@]1(C)O ZINC001237524563 779125829 /nfs/dbraw/zinc/12/58/29/779125829.db2.gz KFAIGWYMFLJWMC-BDJLRTHQSA-N 0 1 294.345 2.819 20 30 CFEDMN C[C@H]1CN(Cc2cc(C#N)c(F)cc2F)CCC[C@@]1(C)O ZINC001237524565 779126285 /nfs/dbraw/zinc/12/62/85/779126285.db2.gz KFAIGWYMFLJWMC-MEDUHNTESA-N 0 1 294.345 2.819 20 30 CFEDMN C[C@@H]1CCN(Cc2cn3cc(C#N)ccc3n2)[C@H](C)C1 ZINC001237614546 779143107 /nfs/dbraw/zinc/14/31/07/779143107.db2.gz QAMIAYSRGUDHJM-CHWSQXEVSA-N 0 1 268.364 2.826 20 30 CFEDMN C[C@]1(C#N)CCN(Cc2cc(F)cc(Cl)c2O)C1 ZINC001237801834 779181303 /nfs/dbraw/zinc/18/13/03/779181303.db2.gz IWSUWLXHAJVUKN-CYBMUJFWSA-N 0 1 268.719 2.920 20 30 CFEDMN C=C1O[C@H](C)C(=O)C1Oc1cnc(OC(C)C)c(C)c1 ZINC001234278470 779191818 /nfs/dbraw/zinc/19/18/18/779191818.db2.gz TYKLMPGLQRJEEL-SNVBAGLBSA-N 0 1 277.320 2.775 20 30 CFEDMN CC#CCN1CC(C)(C)CC[C@@H]1CNC(=O)[C@H](F)C(C)C ZINC001099188795 779193724 /nfs/dbraw/zinc/19/37/24/779193724.db2.gz JYBIAJOVXLFLNV-HUUCEWRRSA-N 0 1 296.430 2.611 20 30 CFEDMN N#C[C@H]1CCN(Cc2cc(F)c(O)c(Cl)c2)C1 ZINC001237998052 779227013 /nfs/dbraw/zinc/22/70/13/779227013.db2.gz PUUGWWMTDBPLGU-MRVPVSSYSA-N 0 1 254.692 2.530 20 30 CFEDMN C=C(C)CCN1CC(NC(=O)C[C@@H]2CCc3ccccc32)C1 ZINC001031125653 779235637 /nfs/dbraw/zinc/23/56/37/779235637.db2.gz SSQKCNHMTOTBIL-INIZCTEOSA-N 0 1 298.430 2.873 20 30 CFEDMN C#C[C@@H](CC(C)C)Oc1nc(C)[nH]c(=O)c1Br ZINC001234568024 779245386 /nfs/dbraw/zinc/24/53/86/779245386.db2.gz KDKMJSFCLAFLNU-VIFPVBQESA-N 0 1 299.168 2.680 20 30 CFEDMN N#Cc1ccc(CN2CCC[C@](O)(CF)CC2)c(Cl)c1 ZINC001238080708 779247877 /nfs/dbraw/zinc/24/78/77/779247877.db2.gz VBMOSGFFIYBBQO-OAHLLOKOSA-N 0 1 296.773 2.898 20 30 CFEDMN N#C[C@H]1CCN(Cc2cc(Cl)c(O)cc2F)C1 ZINC001238149165 779262488 /nfs/dbraw/zinc/26/24/88/779262488.db2.gz GXLCSKIFOLGXMX-MRVPVSSYSA-N 0 1 254.692 2.530 20 30 CFEDMN COc1c(C)cnc(CN2CCC[C@H](C#N)CC2)c1C ZINC001238176091 779269591 /nfs/dbraw/zinc/26/95/91/779269591.db2.gz PTRIRKBUOBIWDO-AWEZNQCLSA-N 0 1 273.380 2.833 20 30 CFEDMN N#Cc1cc(CN2CCCC[C@H](O)C2)ccc1Cl ZINC001238189580 779273639 /nfs/dbraw/zinc/27/36/39/779273639.db2.gz SQBJTYZGDRZQPB-ZDUSSCGKSA-N 0 1 264.756 2.558 20 30 CFEDMN N#Cc1cc(CN2CC[C@]3(CCOC3)C2)ccc1Cl ZINC001238189140 779273972 /nfs/dbraw/zinc/27/39/72/779273972.db2.gz MSHQOVVRJPFRBH-HNNXBMFYSA-N 0 1 276.767 2.824 20 30 CFEDMN N#Cc1cc(CN2CCC[C@@H](O)CC2)ccc1Cl ZINC001238189829 779275243 /nfs/dbraw/zinc/27/52/43/779275243.db2.gz XKPZEJVMBMPJCV-CYBMUJFWSA-N 0 1 264.756 2.558 20 30 CFEDMN C#CCN(C)Cc1ccc(F)c(-c2ccncc2)c1 ZINC001238553884 779339935 /nfs/dbraw/zinc/33/99/35/779339935.db2.gz BJCYIIOSILZNDW-UHFFFAOYSA-N 0 1 254.308 2.953 20 30 CFEDMN N#Cc1cc(C(F)(F)F)ccc1-c1ncc2c(n1)CNC2 ZINC001238838262 779402204 /nfs/dbraw/zinc/40/22/04/779402204.db2.gz LNWLUXVYVVICKL-UHFFFAOYSA-N 0 1 290.248 2.637 20 30 CFEDMN C=CCN1CCC(F)(F)[C@H](CNC(=O)[C@H]2CC=CCC2)C1 ZINC001046919014 779405894 /nfs/dbraw/zinc/40/58/94/779405894.db2.gz NGSFVNOXRULOOD-UONOGXRCSA-N 0 1 298.377 2.602 20 30 CFEDMN C=CCN1CCC(F)(F)[C@@H](CNC(=O)[C@H]2CC=CCC2)C1 ZINC001046919012 779406109 /nfs/dbraw/zinc/40/61/09/779406109.db2.gz NGSFVNOXRULOOD-KBPBESRZSA-N 0 1 298.377 2.602 20 30 CFEDMN CC#CCN(C)C[C@H]1CCCN1C(=O)[C@H]1CCC(C)(C)C1 ZINC001281957650 779479776 /nfs/dbraw/zinc/47/97/76/779479776.db2.gz SQPVTOHNDFJGEG-JKSUJKDBSA-N 0 1 290.451 2.759 20 30 CFEDMN N#Cc1csc(CN2CCC(c3cn[nH]c3)CC2)c1 ZINC000352652882 779497878 /nfs/dbraw/zinc/49/78/78/779497878.db2.gz RYTKZUPDJJZJJE-UHFFFAOYSA-N 0 1 272.377 2.722 20 30 CFEDMN N#Cc1ccc(/C=C/c2cccc(-c3nn[nH]n3)c2)cc1 ZINC001239303080 779505899 /nfs/dbraw/zinc/50/58/99/779505899.db2.gz KYBQTKPBSYQWCI-QPJJXVBHSA-N 0 1 273.299 2.909 20 30 CFEDMN C#CCN1CC(C)(C)CC[C@@H]1CNC(=O)C1CC(C)(C)C1 ZINC001089636365 779551421 /nfs/dbraw/zinc/55/14/21/779551421.db2.gz BBCPFALGMUQJHO-OAHLLOKOSA-N 0 1 290.451 2.663 20 30 CFEDMN C=CCN1CC(C)(C)CC[C@@H]1CNC(=O)c1cc(C)co1 ZINC001089685315 779565994 /nfs/dbraw/zinc/56/59/94/779565994.db2.gz BFEZIJWWWQLGRJ-CQSZACIVSA-N 0 1 290.407 2.994 20 30 CFEDMN C=C(C)CN1CC(CNC(=O)c2ccccc2CCC)C1 ZINC001031833859 779636337 /nfs/dbraw/zinc/63/63/37/779636337.db2.gz HFEJCRCKOBCVIU-UHFFFAOYSA-N 0 1 286.419 2.877 20 30 CFEDMN C=C(C)CN1CC(CNC(=O)C2CCC3(CC3)CC2)C1 ZINC001031853698 779643158 /nfs/dbraw/zinc/64/31/58/779643158.db2.gz XVGDTQVGHADXGN-UHFFFAOYSA-N 0 1 276.424 2.581 20 30 CFEDMN C=C(C)CN1CC(CNC(=O)C2[C@H]3CCCCCC[C@H]23)C1 ZINC001032005274 779705933 /nfs/dbraw/zinc/70/59/33/779705933.db2.gz GZSYWAGRQXIKBB-HOTGVXAUSA-N 0 1 290.451 2.827 20 30 CFEDMN C[C@H]1CCN(Cc2cc(Cl)cc(C#N)c2)CC[C@@H]1O ZINC001237746523 779716054 /nfs/dbraw/zinc/71/60/54/779716054.db2.gz NYYXAERGOVJJHH-NHYWBVRUSA-N 0 1 278.783 2.804 20 30 CFEDMN C=C(C)CN1CC(CNC(=O)c2cccc(C(F)F)c2)C1 ZINC001032139241 779745047 /nfs/dbraw/zinc/74/50/47/779745047.db2.gz AYRCSQJSAQZOBO-UHFFFAOYSA-N 0 1 294.345 2.862 20 30 CFEDMN C=C(C)CN1CC(CNC(=O)c2cc(C)cc(C)c2)C1 ZINC001032149984 779748378 /nfs/dbraw/zinc/74/83/78/779748378.db2.gz VBZNWYKMYIXBOW-UHFFFAOYSA-N 0 1 272.392 2.541 20 30 CFEDMN C=C(C)CN1CC(CNC(=O)c2ccc(C)c(C)c2)C1 ZINC001032166944 779751665 /nfs/dbraw/zinc/75/16/65/779751665.db2.gz LKTAHUNBAFJPRH-UHFFFAOYSA-N 0 1 272.392 2.541 20 30 CFEDMN C=CCN1CC(CNC(=O)c2ccc(C(C)(C)C)s2)C1 ZINC001032200510 779762211 /nfs/dbraw/zinc/76/22/11/779762211.db2.gz YJGIHHLJNVBWSY-UHFFFAOYSA-N 0 1 292.448 2.893 20 30 CFEDMN C=C(C)CN1CC(CNC(=O)C23CCC(CC2)CC3)C1 ZINC001032200386 779762253 /nfs/dbraw/zinc/76/22/53/779762253.db2.gz SOQJMZJDOVOPER-UHFFFAOYSA-N 0 1 276.424 2.581 20 30 CFEDMN C=C(C)CN1CC(CNC(=O)c2sccc2CC)C1 ZINC001032204024 779763117 /nfs/dbraw/zinc/76/31/17/779763117.db2.gz FECDMWRIJQFHGV-UHFFFAOYSA-N 0 1 278.421 2.548 20 30 CFEDMN C=CCN1CC(CNC(=O)c2cc3cccc(C)c3o2)C1 ZINC001032207555 779764192 /nfs/dbraw/zinc/76/41/92/779764192.db2.gz BSFDBLSHNQGIMA-UHFFFAOYSA-N 0 1 284.359 2.589 20 30 CFEDMN Cc1ccc(F)c(-c2cc3[nH]cnc3c(C#N)n2)c1 ZINC001239963779 779886297 /nfs/dbraw/zinc/88/62/97/779886297.db2.gz PVRNGJJCWJHFDF-UHFFFAOYSA-N 0 1 252.252 2.944 20 30 CFEDMN C=C(C)CC[N@H+]1CCO[C@@](C)(CNC(=O)[C@@H](C)CCC)C1 ZINC001107823498 779904894 /nfs/dbraw/zinc/90/48/94/779904894.db2.gz ONRWOABUHBROEW-RDJZCZTQSA-N 0 1 296.455 2.596 20 30 CFEDMN C=C(C)CCN1CCO[C@@](C)(CNC(=O)[C@@H](C)CCC)C1 ZINC001107823498 779904898 /nfs/dbraw/zinc/90/48/98/779904898.db2.gz ONRWOABUHBROEW-RDJZCZTQSA-N 0 1 296.455 2.596 20 30 CFEDMN CN1CCN(c2ccc(-c3ccc(C#N)c(F)c3)cn2)CC1 ZINC001240151636 779974332 /nfs/dbraw/zinc/97/43/32/779974332.db2.gz BYICLLBGKGERHC-UHFFFAOYSA-N 0 1 296.349 2.511 20 30 CFEDMN C=C(C)CCN1C[C@@H]2C[C@H]1CN2C(=O)C1(F)CCCC1 ZINC001032488372 779979955 /nfs/dbraw/zinc/97/99/55/779979955.db2.gz BQBAUEZEVBXGLM-KBPBESRZSA-N 0 1 280.387 2.520 20 30 CFEDMN C=C(C)CN1C[C@@H]2C[C@H]1CN2C(=O)[C@H]1CCCCC1(F)F ZINC001032540899 780017984 /nfs/dbraw/zinc/01/79/84/780017984.db2.gz VMZWYASWJWKOSR-MELADBBJSA-N 0 1 298.377 2.673 20 30 CFEDMN C=C(C)CN1C[C@@H]2C[C@H]1CN2C(=O)[C@@H]1CCCCC1(F)F ZINC001032540898 780019280 /nfs/dbraw/zinc/01/92/80/780019280.db2.gz VMZWYASWJWKOSR-IHRRRGAJSA-N 0 1 298.377 2.673 20 30 CFEDMN C=C(C)CN1C[C@@H]2C[C@H]1CN2C(=O)CCc1cccc(C)c1 ZINC001032544865 780023577 /nfs/dbraw/zinc/02/35/77/780023577.db2.gz NYFFEPZHRPRGDV-ROUUACIJSA-N 0 1 298.430 2.789 20 30 CFEDMN Cn1nc(C(F)(F)F)cc1-c1ccccc1C=NO ZINC001240292034 780050196 /nfs/dbraw/zinc/05/01/96/780050196.db2.gz UTXIVQONOWIZQL-UHFFFAOYSA-N 0 1 269.226 2.914 20 30 CFEDMN C=C(C)CN1C[C@@H]2C[C@H]1CN2C(=O)[C@@H](C)c1ccsc1 ZINC001032622581 780080714 /nfs/dbraw/zinc/08/07/14/780080714.db2.gz ROILYYCJXAJTEU-QEJZJMRPSA-N 0 1 290.432 2.713 20 30 CFEDMN C=CCN1C[C@@]2(CC1=O)CCCCN2Cc1cnccc1C ZINC001272814881 780111286 /nfs/dbraw/zinc/11/12/86/780111286.db2.gz ASPUSEKRBBGPIC-SFHVURJKSA-N 0 1 299.418 2.533 20 30 CFEDMN CC(C)NC(=O)C(C#N)C(=O)CCCC1CCCCC1 ZINC000130822732 780123987 /nfs/dbraw/zinc/12/39/87/780123987.db2.gz CVKYWGPYLQFDCG-AWEZNQCLSA-N 0 1 278.396 2.970 20 30 CFEDMN CCCCCC(=O)C(C#N)C(=O)Nc1ccc(OC)cc1 ZINC000131622689 780126559 /nfs/dbraw/zinc/12/65/59/780126559.db2.gz BVJLLAAXAWDIET-CQSZACIVSA-N 0 1 288.347 2.923 20 30 CFEDMN CCCCCC(=O)C(C#N)C(=O)Nc1ccc(OC)cc1 ZINC000131622868 780127361 /nfs/dbraw/zinc/12/73/61/780127361.db2.gz BVJLLAAXAWDIET-AWEZNQCLSA-N 0 1 288.347 2.923 20 30 CFEDMN C=CCN1CC[C@@H]2[C@@H]1CCCN2C(=O)c1cccs1 ZINC001049303287 780139656 /nfs/dbraw/zinc/13/96/56/780139656.db2.gz SBSRPFFJIAWAHP-QWHCGFSZSA-N 0 1 276.405 2.613 20 30 CFEDMN C=C(C)CN1C[C@@H]2C[C@H]1CN2C(=O)[C@@H](C)C1CCCC1 ZINC001032725653 780153884 /nfs/dbraw/zinc/15/38/84/780153884.db2.gz XVWFQZLFHVVOQB-BPUTZDHNSA-N 0 1 276.424 2.674 20 30 CFEDMN Cc1nn(C)c2ccc(-c3cc4[nH]cnc4c(C#N)n3)cc12 ZINC001240443789 780170095 /nfs/dbraw/zinc/17/00/95/780170095.db2.gz ILORSAJKBFQBTR-UHFFFAOYSA-N 0 1 288.314 2.692 20 30 CFEDMN C=C(C)CN1CC[C@]2(CCCN2Cc2cncc(C)c2)C1=O ZINC001272840064 780171267 /nfs/dbraw/zinc/17/12/67/780171267.db2.gz BGAOJNRTUHPIBP-GOSISDBHSA-N 0 1 299.418 2.533 20 30 CFEDMN C=CCN1CC[C@@]2(CCCN2Cc2ccsc2)C1=O ZINC001272936387 780316428 /nfs/dbraw/zinc/31/64/28/780316428.db2.gz LEZAXUGYRSSMHW-HNNXBMFYSA-N 0 1 276.405 2.501 20 30 CFEDMN C=C(C)CN1C[C@@]2(CC1=O)CCCCN2Cc1cccnc1 ZINC001272948648 780353209 /nfs/dbraw/zinc/35/32/09/780353209.db2.gz NODLMVWDDKUXBX-SFHVURJKSA-N 0 1 299.418 2.615 20 30 CFEDMN N#Cc1cc(-c2cc(F)ccc2O)nc(C2CC2)n1 ZINC001240696856 780368240 /nfs/dbraw/zinc/36/82/40/780368240.db2.gz ZITMWMKCRUJABC-UHFFFAOYSA-N 0 1 255.252 2.737 20 30 CFEDMN CN1CCN(c2ccc(-c3cccc(CC#N)n3)cc2)CC1 ZINC001240850350 780475976 /nfs/dbraw/zinc/47/59/76/780475976.db2.gz XVVUSXJIOHKMOT-UHFFFAOYSA-N 0 1 292.386 2.566 20 30 CFEDMN CN(C)c1ccc(-c2cc3[nH]cnc3c(C#N)n2)cc1 ZINC001240911636 780514296 /nfs/dbraw/zinc/51/42/96/780514296.db2.gz MFIHKLQZZISIQS-UHFFFAOYSA-N 0 1 263.304 2.563 20 30 CFEDMN Cc1nc2ccc(Nc3ncc(C#N)nc3C)cc2[nH]1 ZINC001213071181 780583823 /nfs/dbraw/zinc/58/38/23/780583823.db2.gz DAPGITAIXXFNDS-UHFFFAOYSA-N 0 1 264.292 2.585 20 30 CFEDMN C=CCN1CC[C@H](N(C)C(=O)[C@@H]2CCCc3ccccc32)C1 ZINC001033186049 780608375 /nfs/dbraw/zinc/60/83/75/780608375.db2.gz RTHONDSAXHCFLL-FUHWJXTLSA-N 0 1 298.430 2.825 20 30 CFEDMN C=CCN1CC[C@H](N(C)C(=O)c2cc(C)c(F)cc2F)C1 ZINC001033184992 780608737 /nfs/dbraw/zinc/60/87/37/780608737.db2.gz FPVLLMVBGQEVMH-LBPRGKRZSA-N 0 1 294.345 2.606 20 30 CFEDMN CCc1nc(C#N)cc(-c2c(F)cc(O)cc2F)n1 ZINC001241118724 780647757 /nfs/dbraw/zinc/64/77/57/780647757.db2.gz FJIQFHLUBMKBKO-UHFFFAOYSA-N 0 1 261.231 2.561 20 30 CFEDMN C=CCN1CC[C@@H](N(C)C(=O)c2ccccc2CC)C1 ZINC001033362547 780664483 /nfs/dbraw/zinc/66/44/83/780664483.db2.gz MFPPKAMWVMEGQR-OAHLLOKOSA-N 0 1 272.392 2.581 20 30 CFEDMN C=CCN1CC[C@@H](N(C)C(=O)c2ccc(Cl)cc2C)C1 ZINC001033381422 780667605 /nfs/dbraw/zinc/66/76/05/780667605.db2.gz SYERUZNPYMGLJW-CQSZACIVSA-N 0 1 292.810 2.981 20 30 CFEDMN C=CCN1CC[C@H](N(C)C(=O)[C@@H](C)c2ccsc2)C1 ZINC001033410871 780676614 /nfs/dbraw/zinc/67/66/14/780676614.db2.gz UMHIRZQEUBTTSG-JSGCOSHPSA-N 0 1 278.421 2.570 20 30 CFEDMN CCOC(=O)c1cc2[nH]c(-c3ccnc(C#N)c3)ccc-2n1 ZINC001241176974 780684253 /nfs/dbraw/zinc/68/42/53/780684253.db2.gz IZHILJDJZHJOAC-UHFFFAOYSA-N 0 1 292.298 2.673 20 30 CFEDMN C=CCN1CC[C@@H](N(C)C(=O)[C@H]2CCc3ccccc3C2)C1 ZINC001033461267 780688718 /nfs/dbraw/zinc/68/87/18/780688718.db2.gz ZAOZYPMAXIYLSA-ZWKOTPCHSA-N 0 1 298.430 2.510 20 30 CFEDMN C=CC[N@@H+]1CC[C@@H](N(C)C(=O)[C@@]2(C)C[C@@H]2c2ccccc2)C1 ZINC001033489505 780695346 /nfs/dbraw/zinc/69/53/46/780695346.db2.gz HSACJLFTHMOSOM-LMMKCTJWSA-N 0 1 298.430 2.899 20 30 CFEDMN C=CCN1CC[C@@H](N(C)C(=O)[C@@]2(C)C[C@@H]2c2ccccc2)C1 ZINC001033489505 780695347 /nfs/dbraw/zinc/69/53/47/780695347.db2.gz HSACJLFTHMOSOM-LMMKCTJWSA-N 0 1 298.430 2.899 20 30 CFEDMN C#CCN1CC[C@@H](N(C)C(=O)[C@@H](C)c2ccc(CC)cc2)C1 ZINC001033515668 780701456 /nfs/dbraw/zinc/70/14/56/780701456.db2.gz YEPLGSJOIRXMRQ-MAUKXSAKSA-N 0 1 298.430 2.518 20 30 CFEDMN C=CCN1CC[C@H](N(C)C(=O)c2cccc(C)c2Cl)C1 ZINC001033515181 780701527 /nfs/dbraw/zinc/70/15/27/780701527.db2.gz FQVCZEBMFHRXGL-ZDUSSCGKSA-N 0 1 292.810 2.981 20 30 CFEDMN C=C(C)CN1CC[C@@H](N(C)C(=O)c2ncoc2C(C)C)C1 ZINC001033555778 780712635 /nfs/dbraw/zinc/71/26/35/780712635.db2.gz BHJSYLFVKDIAMX-CYBMUJFWSA-N 0 1 291.395 2.520 20 30 CFEDMN C=CCN1CC[C@@H](N(C)C(=O)c2ccccc2Cl)C1 ZINC001033603074 780725914 /nfs/dbraw/zinc/72/59/14/780725914.db2.gz HBMCAAKGFUAKQM-GFCCVEGCSA-N 0 1 278.783 2.672 20 30 CFEDMN C#CCN1CC[C@@H](N(C)C(=O)c2ccc(CC(C)C)cc2)C1 ZINC001033646644 780737284 /nfs/dbraw/zinc/73/72/84/780737284.db2.gz QJWRVDLDIWQZMH-GOSISDBHSA-N 0 1 298.430 2.665 20 30 CFEDMN C=CCN1CC[C@@H](N(C)C(=O)C2(C)CCC(C)CC2)C1 ZINC001033695288 780752796 /nfs/dbraw/zinc/75/27/96/780752796.db2.gz AJIMDJLBVMRUOR-ISXOHVOVSA-N 0 1 278.440 2.922 20 30 CFEDMN C#CCN1CC[C@H](N(C)C(=O)C[C@@H]2CCCCC2(C)C)C1 ZINC001033711184 780757823 /nfs/dbraw/zinc/75/78/23/780757823.db2.gz MWVZXNRHORCIDV-HOTGVXAUSA-N 0 1 290.451 2.759 20 30 CFEDMN C=C(C)C[N@@H+]1CC[C@H](N(CC)C(=O)c2ccc(C)o2)C1 ZINC001033743486 780773947 /nfs/dbraw/zinc/77/39/47/780773947.db2.gz UHMCNFDYEMUGKV-AWEZNQCLSA-N 0 1 276.380 2.701 20 30 CFEDMN C=C(C)CN1CC[C@H](N(CC)C(=O)c2ccc(C)o2)C1 ZINC001033743486 780773952 /nfs/dbraw/zinc/77/39/52/780773952.db2.gz UHMCNFDYEMUGKV-AWEZNQCLSA-N 0 1 276.380 2.701 20 30 CFEDMN CC#CCN1CC[C@@H](N(CC)C(=O)C2=CCCCCC2)C1 ZINC001033806128 780795902 /nfs/dbraw/zinc/79/59/02/780795902.db2.gz FGBQYALYFUNNNH-QGZVFWFLSA-N 0 1 288.435 2.823 20 30 CFEDMN C=C(C)CN1CC[C@@H](N(CC)C(=O)c2ccoc2CC)C1 ZINC001033816439 780799088 /nfs/dbraw/zinc/79/90/88/780799088.db2.gz KLGUFQKKLUSVGJ-CQSZACIVSA-N 0 1 290.407 2.955 20 30 CFEDMN C=CCN1CC[C@H](N(CC)C(=O)c2cccc(C)c2F)C1 ZINC001033841777 780802437 /nfs/dbraw/zinc/80/24/37/780802437.db2.gz ABEOZUBJIZNHFA-AWEZNQCLSA-N 0 1 290.382 2.857 20 30 CFEDMN C=CC[N@@H+]1CC[C@@H](N(CC)C(=O)[C@@H]2CCCC23CC3)C1 ZINC001033869050 780813817 /nfs/dbraw/zinc/81/38/17/780813817.db2.gz KKYXRKSYMAYRHL-CABCVRRESA-N 0 1 276.424 2.676 20 30 CFEDMN C=CCN1CC[C@@H](N(CC)C(=O)[C@@H]2CCCC23CC3)C1 ZINC001033869050 780813829 /nfs/dbraw/zinc/81/38/29/780813829.db2.gz KKYXRKSYMAYRHL-CABCVRRESA-N 0 1 276.424 2.676 20 30 CFEDMN C#CCN1CC[C@H](N(CC)C(=O)[C@@H]2CCC=CCCC2)C1 ZINC001033874027 780814463 /nfs/dbraw/zinc/81/44/63/780814463.db2.gz UIHKGEZVQAPGBM-SJORKVTESA-N 0 1 288.435 2.679 20 30 CFEDMN C=CCN1CC[C@@H](N(CC)C(=O)[C@@H]2CC[C@@H]3C[C@@H]3CC2)C1 ZINC001033909746 780826002 /nfs/dbraw/zinc/82/60/02/780826002.db2.gz ZVMLAUSFGPMBFB-WCXIOVBPSA-N 0 1 290.451 2.922 20 30 CFEDMN CC#CCN1CC[C@@H](N(CC)C(=O)C2CCC=CCC2)C1 ZINC001034041605 780864100 /nfs/dbraw/zinc/86/41/00/780864100.db2.gz IQEHPNGDBADYQX-QGZVFWFLSA-N 0 1 288.435 2.679 20 30 CFEDMN CC#CCN1CC[C@@H](N(CC)C(=O)c2ccc(C)cc2)C1 ZINC001034024297 780864962 /nfs/dbraw/zinc/86/49/62/780864962.db2.gz BTAJOHCPGGMCNK-QGZVFWFLSA-N 0 1 284.403 2.555 20 30 CFEDMN C#CCN1CCCC[C@@H](NC(=O)CC2CCCCC2)C1 ZINC001034091125 780884522 /nfs/dbraw/zinc/88/45/22/780884522.db2.gz MHECXYDOXQZDCF-MRXNPFEDSA-N 0 1 276.424 2.561 20 30 CFEDMN C=CCN1CCCC[C@H](NC(=O)c2cc(C)oc2C)C1 ZINC001034103041 780892648 /nfs/dbraw/zinc/89/26/48/780892648.db2.gz WLBRSUGECRUEKH-AWEZNQCLSA-N 0 1 276.380 2.667 20 30 CFEDMN C#C[C@@H](NCc1cccc2c1OCCCO2)C(C)(C)C ZINC000702250051 780900259 /nfs/dbraw/zinc/90/02/59/780900259.db2.gz DGFHJMIOCGJVKH-OAHLLOKOSA-N 0 1 273.376 2.985 20 30 CFEDMN CO/N=C/c1cc(-c2ccc(-c3nn[nH]n3)cc2)ccc1F ZINC001241446937 780900378 /nfs/dbraw/zinc/90/03/78/780900378.db2.gz ZJFZNILYJGJJQG-RQZCQDPDSA-N 0 1 297.293 2.653 20 30 CFEDMN C#C[C@@H](NCc1ccc(OC)cc1OC)C(C)(C)C ZINC000702281901 780909593 /nfs/dbraw/zinc/90/95/93/780909593.db2.gz LKRYIXGBYVNZGZ-OAHLLOKOSA-N 0 1 261.365 2.841 20 30 CFEDMN C=CCN1CCCC[C@H](NC(=O)c2ccsc2C)C1 ZINC001034192562 780919032 /nfs/dbraw/zinc/91/90/32/780919032.db2.gz PJSBZKGTWPFXKP-ZDUSSCGKSA-N 0 1 278.421 2.827 20 30 CFEDMN C#CCN1CCCC[C@H](NC(=O)c2ccccc2CCC)C1 ZINC001034300038 780940157 /nfs/dbraw/zinc/94/01/57/780940157.db2.gz KBEKJXZUOFHXAV-KRWDZBQOSA-N 0 1 298.430 2.857 20 30 CFEDMN C=CCN1CCCC[C@H](NC(=O)c2occ3c2CCC3)C1 ZINC001034326448 780949363 /nfs/dbraw/zinc/94/93/63/780949363.db2.gz PLZDYZDSMUMYTG-AWEZNQCLSA-N 0 1 288.391 2.539 20 30 CFEDMN CC#CCN1CCCC[C@@H](NC(=O)c2ccccc2CC)C1 ZINC001034370813 780954755 /nfs/dbraw/zinc/95/47/55/780954755.db2.gz ZEVZBBAUVCEXMG-QGZVFWFLSA-N 0 1 298.430 2.857 20 30 CFEDMN C#CCN1CCCC[C@@H](NC(=O)c2ccc(CCC)cc2)C1 ZINC001034373403 780956630 /nfs/dbraw/zinc/95/66/30/780956630.db2.gz RTWMCZFBLWJEHB-GOSISDBHSA-N 0 1 298.430 2.857 20 30 CFEDMN C=C(C)C[N@H+]1CCCC[C@@H](NC(=O)C2(C)CC=CC2)C1 ZINC001034376231 780960507 /nfs/dbraw/zinc/96/05/07/780960507.db2.gz KXHIYAYGIKZEDS-OAHLLOKOSA-N 0 1 276.424 2.890 20 30 CFEDMN CC#CCN1CCCC[C@H](NC(=O)[C@@]23C[C@@H]2CCCC3)C1 ZINC001034390183 780964250 /nfs/dbraw/zinc/96/42/50/780964250.db2.gz PRIOHPMZOITMLS-BQFCYCMXSA-N 0 1 288.435 2.561 20 30 CFEDMN CC#CCN1CCCC[C@H](NC(=O)c2csc(C)c2)C1 ZINC001034445543 780973534 /nfs/dbraw/zinc/97/35/34/780973534.db2.gz VLEZVNBQEVFMGG-HNNXBMFYSA-N 0 1 290.432 2.664 20 30 CFEDMN CC#CCN1CCCC[C@@H](NC(=O)C2(F)CCCCC2)C1 ZINC001034472131 780982685 /nfs/dbraw/zinc/98/26/85/780982685.db2.gz QPEQXTVKNBOBDB-OAHLLOKOSA-N 0 1 294.414 2.653 20 30 CFEDMN C#CCN1CCCC[C@H](NC(=O)c2ccc(Cl)cc2)C1 ZINC001034498894 780984621 /nfs/dbraw/zinc/98/46/21/780984621.db2.gz QCGFTXZNZWMWJC-HNNXBMFYSA-N 0 1 290.794 2.558 20 30 CFEDMN C#CCN1CCCC[C@H](NC(=O)c2ccccc2Cl)C1 ZINC001034503102 780987203 /nfs/dbraw/zinc/98/72/03/780987203.db2.gz KSRGRKBVJYQQHU-ZDUSSCGKSA-N 0 1 290.794 2.558 20 30 CFEDMN CC#CCN1CCCC[C@H](NC(=O)c2ccc(CC)cc2)C1 ZINC001034513542 780990237 /nfs/dbraw/zinc/99/02/37/780990237.db2.gz BELHWJLUTQQCPD-SFHVURJKSA-N 0 1 298.430 2.857 20 30 CFEDMN CC#CCN1CCCC[C@@H](NC(=O)c2ccc(C)c(C)c2)C1 ZINC001034518654 780992720 /nfs/dbraw/zinc/99/27/20/780992720.db2.gz LDGZWDPTHYYVBR-GOSISDBHSA-N 0 1 298.430 2.911 20 30 CFEDMN C#CCN1CCCC[C@@H](NC(=O)[C@H]2CCCCC2(C)C)C1 ZINC001034544028 780996625 /nfs/dbraw/zinc/99/66/25/780996625.db2.gz LLWGUCYNDORTFS-HZPDHXFCSA-N 0 1 290.451 2.807 20 30 CFEDMN COc1ccnc(-c2ccc3n[nH]c(C)c3c2)c1C#N ZINC001241667017 781060587 /nfs/dbraw/zinc/06/05/87/781060587.db2.gz SDGMUQJJLSARPI-UHFFFAOYSA-N 0 1 264.288 2.814 20 30 CFEDMN COc1nc(-c2ccc3n[nH]c(C)c3c2)ccc1C#N ZINC001241667752 781060896 /nfs/dbraw/zinc/06/08/96/781060896.db2.gz WVZYGNOUALTLSI-UHFFFAOYSA-N 0 1 264.288 2.814 20 30 CFEDMN Cc1[nH]nc2ccc(-c3nc4c(cc3C#N)COCC4)cc12 ZINC001241668475 781062508 /nfs/dbraw/zinc/06/25/08/781062508.db2.gz OOLPNYPFBHUNMT-UHFFFAOYSA-N 0 1 290.326 2.878 20 30 CFEDMN CCOc1ccc(-c2nccc3[nH]cc(C#N)c32)cn1 ZINC001241702486 781082665 /nfs/dbraw/zinc/08/26/65/781082665.db2.gz JOBMNALXNUNAGE-UHFFFAOYSA-N 0 1 264.288 2.895 20 30 CFEDMN C#C[C@](C)(CC)NCc1cccnc1C(F)(F)F ZINC000704199183 781091041 /nfs/dbraw/zinc/09/10/41/781091041.db2.gz SEUJPCOTSNIWHG-GFCCVEGCSA-N 0 1 256.271 2.992 20 30 CFEDMN C#CCN1CCC(C)(NC(=O)[C@H]2CCCCC2(C)C)CC1 ZINC001045648768 781110562 /nfs/dbraw/zinc/11/05/62/781110562.db2.gz BEDJTBKGJPGTKI-OAHLLOKOSA-N 0 1 290.451 2.807 20 30 CFEDMN CC#CCN1CC2(C1)CCN(C(=O)[C@H](C)C(C)(C)C)CC2 ZINC001035734564 781163366 /nfs/dbraw/zinc/16/33/66/781163366.db2.gz VYWZVSYNDSIIPD-HNNXBMFYSA-N 0 1 290.451 2.616 20 30 CFEDMN C=CCN1CC2(C1)CCN(C(=O)C1CCC(=C)CC1)CC2 ZINC001035786481 781168814 /nfs/dbraw/zinc/16/88/14/781168814.db2.gz ZMICFYLRVLEMLZ-UHFFFAOYSA-N 0 1 288.435 2.843 20 30 CFEDMN C=CCN1CC2(C1)CCN(C(=O)[C@@H]1C[C@H]1C1CCC1)CC2 ZINC001035814324 781174106 /nfs/dbraw/zinc/17/41/06/781174106.db2.gz LKBXWYTXHCZLNP-JKSUJKDBSA-N 0 1 288.435 2.533 20 30 CFEDMN C=CCN1CC2(C1)CCN(C(=O)[C@@H]1C[C@@]1(C)C(C)C)CC2 ZINC001035828880 781175466 /nfs/dbraw/zinc/17/54/66/781175466.db2.gz UUNSXQUHZQWEER-RDJZCZTQSA-N 0 1 290.451 2.779 20 30 CFEDMN C=CCN1CC2(C1)CCN(C(=O)[C@@H](C)c1ccccc1)CC2 ZINC001035838668 781177027 /nfs/dbraw/zinc/17/70/27/781177027.db2.gz YPSOMCVLDBTYCG-INIZCTEOSA-N 0 1 298.430 2.901 20 30 CFEDMN C#Cc1cccc(-c2ccc3cc(C(=O)OC)nc-3[nH]2)c1 ZINC001241916756 781179915 /nfs/dbraw/zinc/17/99/15/781179915.db2.gz HYQPLBRZMDMEPH-UHFFFAOYSA-N 0 1 276.295 2.998 20 30 CFEDMN N#Cc1ccc(-c2ccc3nn[nH]c3c2)nc1C(F)(F)F ZINC001241937725 781192395 /nfs/dbraw/zinc/19/23/95/781192395.db2.gz COHRUWPJOKHPOF-UHFFFAOYSA-N 0 1 289.220 2.910 20 30 CFEDMN N#Cc1ccc(-c2ccc3[nH]nnc3c2)nc1C(F)(F)F ZINC001241937725 781192398 /nfs/dbraw/zinc/19/23/98/781192398.db2.gz COHRUWPJOKHPOF-UHFFFAOYSA-N 0 1 289.220 2.910 20 30 CFEDMN N#Cc1ccc(-c2ccncc2)nc1-c1ccc2nn[nH]c2c1 ZINC001241940809 781194424 /nfs/dbraw/zinc/19/44/24/781194424.db2.gz UYFSZCOGAHGOQD-UHFFFAOYSA-N 0 1 298.309 2.954 20 30 CFEDMN CCC(=O)N1CCC[C@@H](C)[C@@H]1CNCc1ccccc1C#N ZINC001036478157 781252435 /nfs/dbraw/zinc/25/24/35/781252435.db2.gz PARPDDMKMLXHIN-PBHICJAKSA-N 0 1 299.418 2.685 20 30 CFEDMN N#Cc1cnc(-c2cc(C(F)(F)F)ccc2O)cn1 ZINC001242126176 781293542 /nfs/dbraw/zinc/29/35/42/781293542.db2.gz IRMLBVBBXTWDQB-UHFFFAOYSA-N 0 1 265.194 2.740 20 30 CFEDMN N#Cc1nc2[nH]ccc2cc1-c1ccc(F)cc1O ZINC001242218556 781333315 /nfs/dbraw/zinc/33/33/15/781333315.db2.gz FLSPWHNNRLKJGK-UHFFFAOYSA-N 0 1 253.236 2.898 20 30 CFEDMN COc1cccc(-c2nccc3[nH]cc(C#N)c32)c1C#N ZINC001242297814 781378292 /nfs/dbraw/zinc/37/82/92/781378292.db2.gz WZQHGYNDVAQBED-UHFFFAOYSA-N 0 1 274.283 2.982 20 30 CFEDMN C#C[C@@H](NCc1cc(C(=O)OC)cs1)C(C)(C)C ZINC000711422903 781430380 /nfs/dbraw/zinc/43/03/80/781430380.db2.gz PQVGXHIEUQFIKE-GFCCVEGCSA-N 0 1 265.378 2.672 20 30 CFEDMN COC(=O)c1cc2cc(-c3cnc(C#N)c(C)c3)cnc2[nH]1 ZINC001242356745 781431273 /nfs/dbraw/zinc/43/12/73/781431273.db2.gz NOEYSJJWXZSOOQ-UHFFFAOYSA-N 0 1 292.298 2.592 20 30 CFEDMN N#Cc1c[nH]c2ccnc(-c3ccc(CO)c(F)c3)c12 ZINC001242530213 781571828 /nfs/dbraw/zinc/57/18/28/781571828.db2.gz IULDGLAKCYZWBN-UHFFFAOYSA-N 0 1 267.263 2.733 20 30 CFEDMN Fc1ccc(CNN=C2CCCN3CCCC[C@H]23)cc1 ZINC001118322641 781575629 /nfs/dbraw/zinc/57/56/29/781575629.db2.gz MEKRJVDQDAQFKO-MRXNPFEDSA-N 0 1 275.371 2.920 20 30 CFEDMN N#Cc1ccc2ncnc(-c3ccc(O)c(C#N)c3)c2c1 ZINC001242562182 781600122 /nfs/dbraw/zinc/60/01/22/781600122.db2.gz KMJNHNKAGABYRO-UHFFFAOYSA-N 0 1 272.267 2.746 20 30 CFEDMN CC(C)(C)Oc1ccnc(-c2ccc(O)c(C#N)c2)n1 ZINC001242562803 781601878 /nfs/dbraw/zinc/60/18/78/781601878.db2.gz LADHACIEXFAQOK-UHFFFAOYSA-N 0 1 269.304 2.898 20 30 CFEDMN C[NH+](C)/C=C/c1ccncc1-c1ccc([O-])c(C#N)c1 ZINC001242566404 781606895 /nfs/dbraw/zinc/60/68/95/781606895.db2.gz XPMYMZSXGXCKHU-SOFGYWHQSA-N 0 1 265.316 2.858 20 30 CFEDMN C=CCN1C[C@@H](C)[C@H](NC(=O)c2csc(C)c2C)C1 ZINC001079760770 781619489 /nfs/dbraw/zinc/61/94/89/781619489.db2.gz ADTIPPXCYSVVSI-QMTHXVAHSA-N 0 1 278.421 2.601 20 30 CFEDMN Cc1ccc(-c2ccc(CN(C)C)cn2)c(C#N)c1 ZINC001242591131 781624013 /nfs/dbraw/zinc/62/40/13/781624013.db2.gz HRRMUCAQTUIPPY-UHFFFAOYSA-N 0 1 251.333 2.990 20 30 CFEDMN C[C@H](O)c1ccc(-c2cc3[nH]cnc3c(C#N)n2)cc1 ZINC001242641223 781663877 /nfs/dbraw/zinc/66/38/77/781663877.db2.gz AAOUAEYSXVYIHJ-VIFPVBQESA-N 0 1 264.288 2.550 20 30 CFEDMN CC#CCN1C[C@@H](C)[C@H](NC(=O)[C@@H](C)c2cccc(C)c2)C1 ZINC001080527874 781667897 /nfs/dbraw/zinc/66/78/97/781667897.db2.gz BOHZJAPAIXJZLK-SOLBZPMBSA-N 0 1 298.430 2.558 20 30 CFEDMN C=CCN1C[C@@H](C)[C@H](NC(=O)c2cc(Cl)ccc2C)C1 ZINC001080640880 781672444 /nfs/dbraw/zinc/67/24/44/781672444.db2.gz LHYNYCGQQUPMMO-IUODEOHRSA-N 0 1 292.810 2.885 20 30 CFEDMN C=C(C)CN1C[C@@H](C)[C@H](NC(=O)c2oc(CC)cc2C)C1 ZINC001080786391 781678790 /nfs/dbraw/zinc/67/87/90/781678790.db2.gz JFGGKULXSYTLII-UKRRQHHQSA-N 0 1 290.407 2.777 20 30 CFEDMN C#CCN1C[C@@H](C)[C@H](NC(=O)c2ccc([C@H](C)CC)cc2)C1 ZINC001081007845 781689483 /nfs/dbraw/zinc/68/94/83/781689483.db2.gz KRLCRRKZWUCSAG-IIDMSEBBSA-N 0 1 298.430 2.883 20 30 CFEDMN C=C(C)CN1CC[C@@H]2CN(C(=O)c3cc(C)c(C)o3)[C@@H]2C1 ZINC001084280682 781785190 /nfs/dbraw/zinc/78/51/90/781785190.db2.gz VQJRCGOYBXWWKZ-HUUCEWRRSA-N 0 1 288.391 2.619 20 30 CFEDMN C=CCN1CC[C@@H]2CN(C(=O)C3(C4CCC4)CCC3)[C@@H]2C1 ZINC001084552001 781801206 /nfs/dbraw/zinc/80/12/06/781801206.db2.gz OUMQERKORILELC-GDBMZVCRSA-N 0 1 288.435 2.676 20 30 CFEDMN C=CCN1CC[C@@H]2CN(C(=O)[C@H](C)c3ccsc3)[C@@H]2C1 ZINC001084656260 781816808 /nfs/dbraw/zinc/81/68/08/781816808.db2.gz XHPCWMFMBFTOQZ-UMVBOHGHSA-N 0 1 290.432 2.570 20 30 CFEDMN C=C(C)C[N@@H+]1CC[C@@H]2CN(C(=O)[C@H](C)c3ccccc3)[C@@H]2C1 ZINC001084786524 781836177 /nfs/dbraw/zinc/83/61/77/781836177.db2.gz VVYQFGRBOZJXFD-KBAYOESNSA-N 0 1 298.430 2.899 20 30 CFEDMN C=CCN1CC[C@@H]2CN(C(=O)c3ccc(C)c(C)c3)[C@@H]2C1 ZINC001084809766 781839817 /nfs/dbraw/zinc/83/98/17/781839817.db2.gz FFFQQZQSBRQMMI-IAGOWNOFSA-N 0 1 284.403 2.636 20 30 CFEDMN C=CCN1CC[C@@H]2CN(C(=O)CC(C3CC3)C3CC3)[C@@H]2C1 ZINC001084852971 781848115 /nfs/dbraw/zinc/84/81/15/781848115.db2.gz VWAJIDXFZMTAGB-NVXWUHKLSA-N 0 1 288.435 2.531 20 30 CFEDMN C=CCN1CC(C)(C)CC[C@@H]1CNC(=O)CSCCC ZINC001098926491 781855720 /nfs/dbraw/zinc/85/57/20/781855720.db2.gz AFGNNMGAECWLGJ-CQSZACIVSA-N 0 1 298.496 2.922 20 30 CFEDMN N#Cc1csc(CNC[C@H]2CCC3(CCCC3)O2)n1 ZINC000594523317 349441748 /nfs/dbraw/zinc/44/17/48/349441748.db2.gz PSGYWMADJGZMIL-GFCCVEGCSA-N 0 1 277.393 2.596 20 30 CFEDMN N#CCC[C@H](C#N)CNC[C@H]1CCC2(CCCC2)O1 ZINC000594554435 349446487 /nfs/dbraw/zinc/44/64/87/349446487.db2.gz QVHFFMCAHLRQKS-ZIAGYGMSSA-N 0 1 261.369 2.511 20 30 CFEDMN N#CCC[C@@H](C#N)CNC[C@@H]1C[C@H](c2ccccc2)CO1 ZINC000594728493 349482005 /nfs/dbraw/zinc/48/20/05/349482005.db2.gz OOKKIVXTAROVBF-XIRDDKMYSA-N 0 1 283.375 2.592 20 30 CFEDMN C[C@@H](NCc1cnn2c1CCC2)c1cccc(C#N)c1 ZINC000594929526 349514056 /nfs/dbraw/zinc/51/40/56/349514056.db2.gz KJXWDVFHPSQTPO-GFCCVEGCSA-N 0 1 266.348 2.552 20 30 CFEDMN CCc1nc([C@@H](C)NCc2ccc(C3(C#N)CC3)cc2)n[nH]1 ZINC000594935290 349517464 /nfs/dbraw/zinc/51/74/64/349517464.db2.gz IVJZELBGLPTNLW-GFCCVEGCSA-N 0 1 295.390 2.773 20 30 CFEDMN CCCn1nccc1CNC1(c2cccc(C#N)c2)CC1 ZINC000594958366 349529379 /nfs/dbraw/zinc/52/93/79/349529379.db2.gz QSILAYXJKZNBNM-UHFFFAOYSA-N 0 1 280.375 2.944 20 30 CFEDMN N#Cc1ccccc1OCCN(Cc1ccncc1)C1CC1 ZINC000124858180 187157800 /nfs/dbraw/zinc/15/78/00/187157800.db2.gz RRFOSHPIZRSGHG-UHFFFAOYSA-N 0 1 293.370 2.997 20 30 CFEDMN CC(C)(NCc1ccc(CO)o1)c1cccc(C#N)c1 ZINC000594966801 349534365 /nfs/dbraw/zinc/53/43/65/349534365.db2.gz AOIXGNOLUHASMD-UHFFFAOYSA-N 0 1 270.332 2.668 20 30 CFEDMN N#CC1(CN[C@@H](c2nnc[nH]2)c2ccccc2)CCCCC1 ZINC000595090100 349577285 /nfs/dbraw/zinc/57/72/85/349577285.db2.gz CQVPWMXVXZIJPU-OAHLLOKOSA-N 0 1 295.390 2.958 20 30 CFEDMN C=CCN(Cc1cccc(C#N)c1)[C@H](C)c1n[nH]c(CC)n1 ZINC000595297630 349595726 /nfs/dbraw/zinc/59/57/26/349595726.db2.gz XNRVZHLSOJVXTO-CYBMUJFWSA-N 0 1 295.390 2.988 20 30 CFEDMN CC[C@H](CC(F)F)CN1CCN([C@@H](C#N)C(C)C)CC1 ZINC000595396015 349616001 /nfs/dbraw/zinc/61/60/01/349616001.db2.gz BLJCRLTVDNPRRC-KGLIPLIRSA-N 0 1 287.398 2.834 20 30 CFEDMN CC(C)[C@H](C#N)N1CCN(CCCC2CCC2)CC1 ZINC000595397474 349616420 /nfs/dbraw/zinc/61/64/20/349616420.db2.gz JEFUVENERFGQLK-INIZCTEOSA-N 0 1 263.429 2.732 20 30 CFEDMN CC[C@H](CC(F)F)CN1CCN([C@H](C#N)C(C)C)CC1 ZINC000595396017 349616497 /nfs/dbraw/zinc/61/64/97/349616497.db2.gz BLJCRLTVDNPRRC-ZIAGYGMSSA-N 0 1 287.398 2.834 20 30 CFEDMN N#Cc1ccc(CCN2CC3(C2)CC(F)(F)C3)cc1 ZINC000595403000 349617035 /nfs/dbraw/zinc/61/70/35/349617035.db2.gz HTSZDEIGXVYLDK-UHFFFAOYSA-N 0 1 262.303 2.832 20 30 CFEDMN N#CC[C@@]1(O)CCN(CCSc2cccc(Cl)c2)C1 ZINC000595557576 349659092 /nfs/dbraw/zinc/65/90/92/349659092.db2.gz KPJFPNWQTWURLI-CQSZACIVSA-N 0 1 296.823 2.783 20 30 CFEDMN C[C@@H](C(=O)NC1(C#N)CCCCC1)N1C[C@@H]2CCCC[C@@H]21 ZINC000595561230 349660606 /nfs/dbraw/zinc/66/06/06/349660606.db2.gz HZNNFRHDGHYSME-KKUMJFAQSA-N 0 1 289.423 2.592 20 30 CFEDMN N#Cc1ccc(CCN2CCO[C@@H](C3CCC3)C2)cc1 ZINC000595536283 349653392 /nfs/dbraw/zinc/65/33/92/349653392.db2.gz XRBSDROELPNRHR-QGZVFWFLSA-N 0 1 270.376 2.602 20 30 CFEDMN CC[C@@H](C)[N@@H+](CC)Cc1cccc(C(=O)OC)c1C#N ZINC000595597886 349669773 /nfs/dbraw/zinc/66/97/73/349669773.db2.gz BZIMRUAEAPZRSG-GFCCVEGCSA-N 0 1 274.364 2.965 20 30 CFEDMN CC[C@H](C)[N@@H+](CC)Cc1cccc(C(=O)OC)c1C#N ZINC000595597888 349669860 /nfs/dbraw/zinc/66/98/60/349669860.db2.gz BZIMRUAEAPZRSG-LBPRGKRZSA-N 0 1 274.364 2.965 20 30 CFEDMN C[C@H](C(=O)Nc1cccc(C#N)c1)[N@H+]1C[C@@H]2CCCC[C@@H]21 ZINC000595567532 349662578 /nfs/dbraw/zinc/66/25/78/349662578.db2.gz RJOIFRMFAXMJFJ-INWMFGNUSA-N 0 1 283.375 2.760 20 30 CFEDMN C[C@H](C(=O)Nc1cccc(C#N)c1)N1C[C@@H]2CCCC[C@@H]21 ZINC000595567532 349662581 /nfs/dbraw/zinc/66/25/81/349662581.db2.gz RJOIFRMFAXMJFJ-INWMFGNUSA-N 0 1 283.375 2.760 20 30 CFEDMN N#Cc1ccc(CN2C[C@@H]3CCCC[C@@H]32)c([N+](=O)[O-])c1 ZINC000595568386 349663177 /nfs/dbraw/zinc/66/31/77/349663177.db2.gz USHKETFUFICFJJ-JSGCOSHPSA-N 0 1 271.320 2.841 20 30 CFEDMN C[C@@H](C(=O)N(C)Cc1ccccc1)N1CCC[C@H](CC#N)C1 ZINC000595611122 349674698 /nfs/dbraw/zinc/67/46/98/349674698.db2.gz HFILNQBTEKKECY-DOTOQJQBSA-N 0 1 299.418 2.659 20 30 CFEDMN C=CCN(CC(F)(F)F)C(=O)c1cc(C(C)C)[nH]n1 ZINC000069467924 346893494 /nfs/dbraw/zinc/89/34/94/346893494.db2.gz YFKQXHNCRJOJEN-UHFFFAOYSA-N 0 1 275.274 2.724 20 30 CFEDMN N#Cc1cc(CN2CCC(c3ccco3)CC2)ccn1 ZINC000595614809 349677706 /nfs/dbraw/zinc/67/77/06/349677706.db2.gz IOVUYLZUZBUSCO-UHFFFAOYSA-N 0 1 267.332 2.926 20 30 CFEDMN N#CC[C@@H]1CCCN(CCOc2ccccc2[N+](=O)[O-])C1 ZINC000595617284 349678626 /nfs/dbraw/zinc/67/86/26/349678626.db2.gz XSXFJFUDTYVILR-ZDUSSCGKSA-N 0 1 289.335 2.599 20 30 CFEDMN N#CC[C@H]1CCCN(CCc2nc3ccccc3c(=O)[nH]2)C1 ZINC000595619640 349679869 /nfs/dbraw/zinc/67/98/69/349679869.db2.gz DWMVMXBVNZZVPM-CYBMUJFWSA-N 0 1 296.374 2.504 20 30 CFEDMN N#Cc1cc(CN2CCC(C3CCC3)CC2)ccn1 ZINC000595659425 349693341 /nfs/dbraw/zinc/69/33/41/349693341.db2.gz MDKRJLCPKVJGMK-UHFFFAOYSA-N 0 1 255.365 2.965 20 30 CFEDMN CC[C@@]1(CO)CCCN(Cc2cccc(C#N)c2F)C1 ZINC000426519078 529553623 /nfs/dbraw/zinc/55/36/23/529553623.db2.gz ADQMRBSVACNIBS-MRXNPFEDSA-N 0 1 276.355 2.682 20 30 CFEDMN CC[C@H](C(=O)N(C)C[C@H](C)C#N)N(C)Cc1ccccc1 ZINC000352776435 529590310 /nfs/dbraw/zinc/59/03/10/529590310.db2.gz SLMNBKJWSJUFCI-GDBMZVCRSA-N 0 1 287.407 2.515 20 30 CFEDMN C[C@@H](O)[C@H]1CCCN1Cc1ccc(C#N)cc1C(F)(F)F ZINC000595765820 349727036 /nfs/dbraw/zinc/72/70/36/349727036.db2.gz JSTSYYXHBRRQKS-QMTHXVAHSA-N 0 1 298.308 2.922 20 30 CFEDMN N#Cc1cnccc1CN1CCC[C@@H]([C@H]2CCCCO2)C1 ZINC000595791141 349735179 /nfs/dbraw/zinc/73/51/79/349735179.db2.gz ZTERCUJLVVQELL-NVXWUHKLSA-N 0 1 285.391 2.734 20 30 CFEDMN CC(C)(C)C[N@@H+](CCc1ccc(C#N)cc1)CC(=O)[O-] ZINC000595884604 349761162 /nfs/dbraw/zinc/76/11/62/349761162.db2.gz AQLXKPOUJQWMRM-UHFFFAOYSA-N 0 1 274.364 2.533 20 30 CFEDMN C=CCC(F)(F)C(=O)N[C@H](C)c1n[nH]c([C@H](C)CC)n1 ZINC000295037377 199313407 /nfs/dbraw/zinc/31/34/07/199313407.db2.gz YALGHMQSDYOKSL-RKDXNWHRSA-N 0 1 286.326 2.707 20 30 CFEDMN N#CCC[C@@H](C#N)CNCC1(CO)CC(c2ccccc2)C1 ZINC000573684541 334957462 /nfs/dbraw/zinc/95/74/62/334957462.db2.gz YKLMIPQNJLLYBN-ZLPCBKJTSA-N 0 1 297.402 2.576 20 30 CFEDMN C[C@H](N[C@@H](C)c1cccc(Cl)c1)C(=O)N(C)CCC#N ZINC000070786556 260269833 /nfs/dbraw/zinc/26/98/33/260269833.db2.gz YICUYOVKYZXXBG-RYUDHWBXSA-N 0 1 293.798 2.751 20 30 CFEDMN C=CCc1cc(CN2CC(CCOC)C2)cc(OC)c1O ZINC000668472593 539517311 /nfs/dbraw/zinc/51/73/11/539517311.db2.gz MMGIFFJUTMLEKX-UHFFFAOYSA-N 0 1 291.391 2.598 20 30 CFEDMN C[C@@H](C#N)Sc1nc(C=Cc2ccccc2)n[nH]1 ZINC000012834914 346231713 /nfs/dbraw/zinc/23/17/13/346231713.db2.gz KZOAHOVMJCLVGD-JARNTUPDSA-N 0 1 256.334 2.979 20 30 CFEDMN N#Cc1ccc(CN2CCC(CF)CC2)c(F)c1 ZINC000295128607 199361085 /nfs/dbraw/zinc/36/10/85/199361085.db2.gz XROZUTOSHZHQIE-UHFFFAOYSA-N 0 1 250.292 2.879 20 30 CFEDMN CCC[C@@H](C)N(C)CC(=O)Nc1sccc1C#N ZINC000030269673 346287532 /nfs/dbraw/zinc/28/75/32/346287532.db2.gz PWABITXTSORPBE-SNVBAGLBSA-N 0 1 265.382 2.679 20 30 CFEDMN CC1(C)Cc2n[nH]cc2CN(Cc2cccc(C#N)c2)C1 ZINC000596597310 349952476 /nfs/dbraw/zinc/95/24/76/349952476.db2.gz OKVKXLXGURAGOT-UHFFFAOYSA-N 0 1 280.375 2.866 20 30 CFEDMN Cc1ccsc1C(=O)C(C#N)c1cc(C)nc(C)n1 ZINC000041574336 346353667 /nfs/dbraw/zinc/35/36/67/346353667.db2.gz GNYRKJMQZHGZKY-LLVKDONJSA-N 0 1 271.345 2.953 20 30 CFEDMN C=C(C)CN(CC)Cc1cc(C)c(C(=O)OC)o1 ZINC000046837896 346434748 /nfs/dbraw/zinc/43/47/48/346434748.db2.gz HUXOLVDDJPVXQK-UHFFFAOYSA-N 0 1 251.326 2.773 20 30 CFEDMN CN(C)C(=O)c1cccc(CNCc2ccc(C#N)cc2)c1 ZINC000048709929 346476630 /nfs/dbraw/zinc/47/66/30/346476630.db2.gz SSHHAXSEIONZAJ-UHFFFAOYSA-N 0 1 293.370 2.550 20 30 CFEDMN C=CCN(Cc1ccccc1OC)C[C@H]1CCCO1 ZINC000051799037 346507589 /nfs/dbraw/zinc/50/75/89/346507589.db2.gz IUPIJRWOHSSJMZ-OAHLLOKOSA-N 0 1 261.365 2.862 20 30 CFEDMN C=CCN(C(=O)CN1CCC(C)CC1)c1ccccc1 ZINC000061758189 346683011 /nfs/dbraw/zinc/68/30/11/346683011.db2.gz YKIZTFCLEAXZSU-UHFFFAOYSA-N 0 1 272.392 2.938 20 30 CFEDMN O=C(CCc1nccs1)Nc1nc(-c2ccco2)n[nH]1 ZINC000065633764 346737795 /nfs/dbraw/zinc/73/77/95/346737795.db2.gz FSKUFBWKEKMABB-UHFFFAOYSA-N 0 1 289.320 2.742 20 30 CFEDMN C=C(C)COc1cccc(NC(=O)CN(CC)CC)c1 ZINC000066212093 346750668 /nfs/dbraw/zinc/75/06/68/346750668.db2.gz FUFHZFBRHYYDDV-UHFFFAOYSA-N 0 1 276.380 2.922 20 30 CFEDMN CCC(N)=NOCc1cc(-c2ccc(C)cc2)no1 ZINC000067385562 346800362 /nfs/dbraw/zinc/80/03/62/346800362.db2.gz PJXLRRZRVDJJKH-UHFFFAOYSA-N 0 1 259.309 2.849 20 30 CFEDMN N#C[C@@H](c1ccccc1)[C@H]1CCCN1CCn1cccn1 ZINC000076154003 347126691 /nfs/dbraw/zinc/12/66/91/347126691.db2.gz IUYMJVOHIYMXMI-DLBZAZTESA-N 0 1 280.375 2.655 20 30 CFEDMN C[C@H](CNc1cc(Cl)ccc1C#N)CN1CCOCC1 ZINC000077995539 347224051 /nfs/dbraw/zinc/22/40/51/347224051.db2.gz UZMPPHIHVYNNGQ-GFCCVEGCSA-N 0 1 293.798 2.592 20 30 CFEDMN C[C@@H](C(=O)N[C@H](C#N)c1ccc(C(C)(C)C)cc1)N(C)C ZINC000078735942 347273079 /nfs/dbraw/zinc/27/30/79/347273079.db2.gz OSAYIGZWTPLKQZ-SWLSCSKDSA-N 0 1 287.407 2.615 20 30 CFEDMN COc1csc(C(=O)C(C#N)c2cc(C)nc(C)n2)c1 ZINC000080255408 347352122 /nfs/dbraw/zinc/35/21/22/347352122.db2.gz PJXFQVWUSJGJMA-LLVKDONJSA-N 0 1 287.344 2.654 20 30 CFEDMN N#CCN(Cc1cc(O)ccc1[N+](=O)[O-])C1CCCC1 ZINC000093563104 347679698 /nfs/dbraw/zinc/67/96/98/347679698.db2.gz RUJYUOHMBFYJLQ-UHFFFAOYSA-N 0 1 275.308 2.569 20 30 CFEDMN CC(C)(CCC#N)CN1CCN(c2ncccc2F)CC1 ZINC000093687754 347681642 /nfs/dbraw/zinc/68/16/42/347681642.db2.gz NZECVBLWKPOYBZ-UHFFFAOYSA-N 0 1 290.386 2.673 20 30 CFEDMN O=C(NO)[C@H]1CCCC[C@H]1c1nc2ccc(Cl)cc2[nH]1 ZINC000671996963 539578511 /nfs/dbraw/zinc/57/85/11/539578511.db2.gz XEFLTMXWJNUDEU-ZJUUUORDSA-N 0 1 293.754 2.996 20 30 CFEDMN N#CC1CCN(C(=O)c2cc(-c3ccc(F)cc3)[nH]n2)CC1 ZINC000146936336 347946565 /nfs/dbraw/zinc/94/65/65/347946565.db2.gz TYXMHRWIKFZTHM-UHFFFAOYSA-N 0 1 298.321 2.592 20 30 CFEDMN COC(=O)C[C@H]1CCCC[N@H+]1Cc1ccc(C#N)cc1C ZINC000166224988 348041316 /nfs/dbraw/zinc/04/13/16/348041316.db2.gz SBROXNBZNZYBGF-MRXNPFEDSA-N 0 1 286.375 2.784 20 30 CFEDMN Cc1cc(C[C@H](C)Nc2ncc(Cl)c(C)c2C#N)[nH]n1 ZINC000273339219 192119379 /nfs/dbraw/zinc/11/93/79/192119379.db2.gz NIMKQWOJPVODPD-QMMMGPOBSA-N 0 1 289.770 2.990 20 30 CFEDMN C=CCCCNC(=O)c1n[nH]c2ccc(Cl)cc21 ZINC000342542723 348457848 /nfs/dbraw/zinc/45/78/48/348457848.db2.gz JKUKOJMFWXCQSZ-UHFFFAOYSA-N 0 1 263.728 2.912 20 30 CFEDMN CCN(CC)[C@H](C(=O)N[C@@H](C#N)C(C)C)c1ccccc1 ZINC000362044138 348507998 /nfs/dbraw/zinc/50/79/98/348507998.db2.gz JMYVYZMCHQNHGL-HOTGVXAUSA-N 0 1 287.407 2.734 20 30 CFEDMN CCN(Cc1cc(C#N)ccc1F)[C@@H]1CCCOC1 ZINC000402847267 348583232 /nfs/dbraw/zinc/58/32/32/348583232.db2.gz RENMRWWAGRNJML-CQSZACIVSA-N 0 1 262.328 2.698 20 30 CFEDMN COC(=O)C[C@@H]1CCCCN1Cc1ccc(C#N)c(F)c1 ZINC000404124684 348590798 /nfs/dbraw/zinc/59/07/98/348590798.db2.gz QACYBEUVQFYCLP-AWEZNQCLSA-N 0 1 290.338 2.615 20 30 CFEDMN COc1cccc(CN2CCC(CC#N)CC2)c1F ZINC000397392142 348561220 /nfs/dbraw/zinc/56/12/20/348561220.db2.gz RAECTRRWONCWLR-UHFFFAOYSA-N 0 1 262.328 2.960 20 30 CFEDMN C=CCC[C@@H](O)CN[C@@H](COCC(C)C)c1ccco1 ZINC000273466632 192163029 /nfs/dbraw/zinc/16/30/29/192163029.db2.gz DYLXKCBRWAXSMT-CABCVRRESA-N 0 1 281.396 2.910 20 30 CFEDMN CCc1ccc([C@@H](C#N)NC(=O)CN2CCC(C)(C)C2)cc1 ZINC000584790471 348716365 /nfs/dbraw/zinc/71/63/65/348716365.db2.gz PMCNCTCPHKVCEF-MRXNPFEDSA-N 0 1 299.418 2.662 20 30 CFEDMN C=C[C@@H]1OCC[C@H]1NCC(=O)Nc1sc(C)c(C)c1C ZINC000584701937 348706134 /nfs/dbraw/zinc/70/61/34/348706134.db2.gz XVTWDIIQLZPFJF-OLZOCXBDSA-N 0 1 294.420 2.545 20 30 CFEDMN CC[N@H+]1CCN(c2cc(C#N)nc3ccccc32)[C@H](C)C1 ZINC000588068879 348770382 /nfs/dbraw/zinc/77/03/82/348770382.db2.gz LBLUYSPAWKMMHA-CYBMUJFWSA-N 0 1 280.375 2.637 20 30 CFEDMN N#CCCCCCC(=O)NCCN1CCc2ccccc2C1 ZINC000588149478 348773659 /nfs/dbraw/zinc/77/36/59/348773659.db2.gz NTBOOSBAIDTNOB-UHFFFAOYSA-N 0 1 299.418 2.635 20 30 CFEDMN N#Cc1csc(CNCCN2CCCc3ccccc32)n1 ZINC000589310637 348826534 /nfs/dbraw/zinc/82/65/34/348826534.db2.gz UNUCULGNGXCHAO-UHFFFAOYSA-N 0 1 298.415 2.557 20 30 CFEDMN C=CCCCN(C)Cc1cc(C(=O)OC)ccc1[N+](=O)[O-] ZINC000589502393 348837388 /nfs/dbraw/zinc/83/73/88/348837388.db2.gz QMNJZJPOBRSKJD-UHFFFAOYSA-N 0 1 292.335 2.779 20 30 CFEDMN CCO[C@H]1CCCN(CC#Cc2ccc(F)cc2)C1 ZINC000126653988 539684869 /nfs/dbraw/zinc/68/48/69/539684869.db2.gz ODYOFBYFCRZSFU-INIZCTEOSA-N 0 1 261.340 2.678 20 30 CFEDMN CCO[C@@H]1CCCN(CC#Cc2ccc(F)cc2)C1 ZINC000126653754 539685025 /nfs/dbraw/zinc/68/50/25/539685025.db2.gz ODYOFBYFCRZSFU-MRXNPFEDSA-N 0 1 261.340 2.678 20 30 CFEDMN CC[C@@H]1CN(C)CCN1c1nc(C(C)(C)C)ccc1C#N ZINC000590146691 348878436 /nfs/dbraw/zinc/87/84/36/348878436.db2.gz BUWMGMRCOZCATB-CQSZACIVSA-N 0 1 286.423 2.781 20 30 CFEDMN C[C@@H]1Cc2cn[nH]c2[C@H](C(=O)Nc2ccc(F)c(C#N)c2)C1 ZINC000590429703 348900873 /nfs/dbraw/zinc/90/08/73/348900873.db2.gz SYLPXOJVHUASNE-NOZJJQNGSA-N 0 1 298.321 2.725 20 30 CFEDMN CCN1CCN(c2nc3ccccc3c(C)c2C#N)C[C@@H]1C ZINC000590695546 348929527 /nfs/dbraw/zinc/92/95/27/348929527.db2.gz BAVCMDCRMVXKEY-ZDUSSCGKSA-N 0 1 294.402 2.945 20 30 CFEDMN CO[C@]1(C(F)(F)F)CCCN([C@H](C)CCC#N)C1 ZINC000591031531 348980990 /nfs/dbraw/zinc/98/09/90/348980990.db2.gz SBTNEWOXZPOYOE-GHMZBOCLSA-N 0 1 264.291 2.722 20 30 CFEDMN CCN(CC)Cc1ccc(C(=O)N[C@@H]2CC[C@H](C#N)C2)o1 ZINC000591796644 349044765 /nfs/dbraw/zinc/04/47/65/349044765.db2.gz ZZEYWLMLHUYHLF-QWHCGFSZSA-N 0 1 289.379 2.543 20 30 CFEDMN N#Cc1cnccc1CN(C[C@@H]1CCCO1)C1CCCC1 ZINC000592073376 349080006 /nfs/dbraw/zinc/08/00/06/349080006.db2.gz XKCIOSBBXRJJNZ-KRWDZBQOSA-N 0 1 285.391 2.877 20 30 CFEDMN CS[C@H]1CCCCN(Cc2ccncc2C#N)C1 ZINC000592083978 349081397 /nfs/dbraw/zinc/08/13/97/349081397.db2.gz KOOJJPXIFKILFV-AWEZNQCLSA-N 0 1 261.394 2.671 20 30 CFEDMN CS[C@@H]1CCCCN(Cc2ccncc2C#N)C1 ZINC000592083979 349081619 /nfs/dbraw/zinc/08/16/19/349081619.db2.gz KOOJJPXIFKILFV-CQSZACIVSA-N 0 1 261.394 2.671 20 30 CFEDMN COCC[C@H]1CCCCN(Cc2ccncc2C#N)C1 ZINC000592106028 349083641 /nfs/dbraw/zinc/08/36/41/349083641.db2.gz NICGOWKYAGVRBX-CQSZACIVSA-N 0 1 273.380 2.592 20 30 CFEDMN C[C@@H](Oc1ccccc1C#N)c1nc([C@H]2CCCN2)no1 ZINC000592357186 349107550 /nfs/dbraw/zinc/10/75/50/349107550.db2.gz SPINGQYENYAYLO-ZYHUDNBSSA-N 0 1 284.319 2.506 20 30 CFEDMN CCN(Cc1ccncc1C#N)[C@@H]1CCOC(C)(C)C1 ZINC000592122867 349087316 /nfs/dbraw/zinc/08/73/16/349087316.db2.gz RRUGJGQBRCSYGV-OAHLLOKOSA-N 0 1 273.380 2.733 20 30 CFEDMN N#CCn1c(-c2nc([C@H]3CCCN3)no2)cc2ccccc21 ZINC000592356979 349107696 /nfs/dbraw/zinc/10/76/96/349107696.db2.gz OKBJUSWTCICSRR-GFCCVEGCSA-N 0 1 293.330 2.639 20 30 CFEDMN N#Cc1cccc(/C=C\c2nc([C@@H]3CCCN3)no2)c1 ZINC000592357166 349107936 /nfs/dbraw/zinc/10/79/36/349107936.db2.gz RSQNEXIRJIZBMA-FWWRYZNZSA-N 0 1 266.304 2.536 20 30 CFEDMN CC(C)(C)n1cc(CNCc2ccc(CC#N)cc2)cn1 ZINC000592371151 349110640 /nfs/dbraw/zinc/11/06/40/349110640.db2.gz UEIRVIOQKWWSIA-UHFFFAOYSA-N 0 1 282.391 2.994 20 30 CFEDMN C[C@@H](CO)C1CCN(Cc2cn3ccccc3c2C#N)CC1 ZINC000593085308 349204713 /nfs/dbraw/zinc/20/47/13/349204713.db2.gz UNVZVXWMVAZYDD-AWEZNQCLSA-N 0 1 297.402 2.651 20 30 CFEDMN C[C@@H](CO)C1CCN(Cc2ccc(C#N)cc2F)CC1 ZINC000593083677 349204760 /nfs/dbraw/zinc/20/47/60/349204760.db2.gz KYUCFCRXAWCIGR-LBPRGKRZSA-N 0 1 276.355 2.538 20 30 CFEDMN CN1CCN(C(=O)CCCCC#N)C2(CCCCC2)C1 ZINC000593987422 349346425 /nfs/dbraw/zinc/34/64/25/349346425.db2.gz SNLZEYZXIZIETJ-UHFFFAOYSA-N 0 1 277.412 2.547 20 30 CFEDMN CC[C@H](CC#N)NCC[C@H](C(=O)OC)c1ccccc1 ZINC000594007774 349352137 /nfs/dbraw/zinc/35/21/37/349352137.db2.gz AJNDVLZJCJFBFB-CABCVRRESA-N 0 1 274.364 2.615 20 30 CFEDMN CC[C@@H](CC#N)NCC[C@@H](C(=O)OC)c1ccccc1 ZINC000594007777 349352332 /nfs/dbraw/zinc/35/23/32/349352332.db2.gz AJNDVLZJCJFBFB-LSDHHAIUSA-N 0 1 274.364 2.615 20 30 CFEDMN CC(C)O[C@@H]1CCCN(Cc2cnc3ccc(C#N)cn23)C1 ZINC000593660387 349305756 /nfs/dbraw/zinc/30/57/56/349305756.db2.gz QDLTVONOGNUQGN-MRXNPFEDSA-N 0 1 298.390 2.595 20 30 CFEDMN C[C@H](O)[C@H](N[C@@H]1CCC[C@@H](C#N)C1)c1ccccc1F ZINC000593659004 349306000 /nfs/dbraw/zinc/30/60/00/349306000.db2.gz RIMFLHVPYYYRMB-VLXAULBPSA-N 0 1 276.355 2.920 20 30 CFEDMN CC[C@@H](C#N)N(C)C(=O)[C@@H](c1ccccc1)N(CC)CC ZINC000594096261 349376453 /nfs/dbraw/zinc/37/64/53/349376453.db2.gz ABJXMKINLHFTPO-JKSUJKDBSA-N 0 1 287.407 2.830 20 30 CFEDMN CC1(C)CN(Cc2ccc(C3(C#N)CC3)cc2)CCO1 ZINC000596985824 350012633 /nfs/dbraw/zinc/01/26/33/350012633.db2.gz LJNOFEULORJGJZ-UHFFFAOYSA-N 0 1 270.376 2.853 20 30 CFEDMN C[C@@H]1CN(Cc2ccc(C3(C#N)CC3)cc2)[C@@H](C)CO1 ZINC000596983535 350012647 /nfs/dbraw/zinc/01/26/47/350012647.db2.gz AUJHULHOMVTVFZ-UONOGXRCSA-N 0 1 270.376 2.851 20 30 CFEDMN C[C@@H]1[C@H](C)N(C)CC[N@@H+]1Cc1ccc(C2(C#N)CC2)cc1 ZINC000597086862 350027949 /nfs/dbraw/zinc/02/79/49/350027949.db2.gz BXTIPKFGEHUEES-LSDHHAIUSA-N 0 1 283.419 2.766 20 30 CFEDMN CN(C)C(=O)c1ccccc1CN1CCC[C@@H](CC#N)C1 ZINC000597176119 350044258 /nfs/dbraw/zinc/04/42/58/350044258.db2.gz FQMMUMPXPDSTDA-AWEZNQCLSA-N 0 1 285.391 2.514 20 30 CFEDMN N#Cc1ccc(CN2CCC([C@H]3CCCCO3)CC2)o1 ZINC000597225575 350062543 /nfs/dbraw/zinc/06/25/43/350062543.db2.gz RKGLOCPQGPOHRV-MRXNPFEDSA-N 0 1 274.364 2.932 20 30 CFEDMN COc1cc(CN2CCC(c3ccon3)CC2)ccc1C#N ZINC000597229421 350064042 /nfs/dbraw/zinc/06/40/42/350064042.db2.gz UBEXBRRRFNAVMN-UHFFFAOYSA-N 0 1 297.358 2.934 20 30 CFEDMN N#Cc1csc(CN2CCC(c3ccon3)CC2)c1 ZINC000597228349 350064095 /nfs/dbraw/zinc/06/40/95/350064095.db2.gz LPLYHHSGWQPFBW-UHFFFAOYSA-N 0 1 273.361 2.987 20 30 CFEDMN Cc1[nH]nc2cc(NC(=O)CC3(C#N)CCOCC3)ccc12 ZINC000597464981 350100091 /nfs/dbraw/zinc/10/00/91/350100091.db2.gz ZQFRCTAPXGWJCA-UHFFFAOYSA-N 0 1 298.346 2.520 20 30 CFEDMN CCN1C[C@H](C)N(C(=O)CC2(C#N)CCCCC2)C[C@@H]1C ZINC000597466850 350100416 /nfs/dbraw/zinc/10/04/16/350100416.db2.gz INTRVEPAPBGPCM-GJZGRUSLSA-N 0 1 291.439 2.792 20 30 CFEDMN N#CCCCCCC(=O)NCc1ccc2nc[nH]c2c1 ZINC000597721865 350128975 /nfs/dbraw/zinc/12/89/75/350128975.db2.gz LDJWHEGZPHQJEA-UHFFFAOYSA-N 0 1 270.336 2.653 20 30 CFEDMN C[C@H](c1nc2ccc(Cl)cc2[nH]1)N(C)C(=O)[C@@H](C)C#N ZINC000597726966 350129151 /nfs/dbraw/zinc/12/91/51/350129151.db2.gz XTAFLMXFIHUXSP-DTWKUNHWSA-N 0 1 290.754 2.895 20 30 CFEDMN N#Cc1cccc(OC2CCN(Cc3ccccn3)CC2)c1 ZINC000104712884 186018019 /nfs/dbraw/zinc/01/80/19/186018019.db2.gz IRPGDKBGNUMUKT-UHFFFAOYSA-N 0 1 293.370 2.997 20 30 CFEDMN Cc1cc(C#N)ccc1-c1nc([C@@H](N)CC(C)C)no1 ZINC000414624428 233307169 /nfs/dbraw/zinc/30/71/69/233307169.db2.gz VMQCVNSZXSPBPV-ZDUSSCGKSA-N 0 1 270.336 2.963 20 30 CFEDMN CCN(C(=O)c1cccc(Br)c1O)[C@H](C)C#N ZINC000598359166 350247808 /nfs/dbraw/zinc/24/78/08/350247808.db2.gz SHYXJFFVTJRFLG-MRVPVSSYSA-N 0 1 297.152 2.529 20 30 CFEDMN COCC#CCN(Cc1ccccc1F)CC(C)C ZINC000677817975 539791037 /nfs/dbraw/zinc/79/10/37/539791037.db2.gz DDDAQAQRNCLKPC-UHFFFAOYSA-N 0 1 263.356 2.934 20 30 CFEDMN Cc1noc([C@H]2CCCN(Cc3cc(C#N)cs3)C2)n1 ZINC000091833279 180266893 /nfs/dbraw/zinc/26/68/93/180266893.db2.gz XZKMWOUGHMJULZ-LBPRGKRZSA-N 0 1 288.376 2.691 20 30 CFEDMN C=CCCC(C)(C)NC(=O)c1cc(O)cc([N+](=O)[O-])c1 ZINC000598523067 350279981 /nfs/dbraw/zinc/27/99/81/350279981.db2.gz YKORSBZHERZXST-UHFFFAOYSA-N 0 1 278.308 2.775 20 30 CFEDMN CC(C)(C#N)C[C@H](O)CNCc1coc(-c2ccccc2)n1 ZINC000598719693 350316940 /nfs/dbraw/zinc/31/69/40/350316940.db2.gz JSLAOUBWRPYJPL-HNNXBMFYSA-N 0 1 299.374 2.732 20 30 CFEDMN CC(C)(C#N)C[C@H](O)CN1CC[C@H]1c1cccc(F)c1 ZINC000598591368 350288367 /nfs/dbraw/zinc/28/83/67/350288367.db2.gz AJQULEBPJAZFBC-GJZGRUSLSA-N 0 1 276.355 2.873 20 30 CFEDMN CC[C@@](C)(NC[C@H](O)CC(C)(C)C#N)c1nccs1 ZINC000598594872 350289293 /nfs/dbraw/zinc/28/92/93/350289293.db2.gz FTZJCDVHDFMWRE-BXUZGUMPSA-N 0 1 281.425 2.659 20 30 CFEDMN CCc1nc([C@@H](C)NC[C@H](O)CC(C)(C)C#N)cs1 ZINC000598612963 350293312 /nfs/dbraw/zinc/29/33/12/350293312.db2.gz TUJCZKFZXMJSAZ-GHMZBOCLSA-N 0 1 281.425 2.657 20 30 CFEDMN CCc1nc([C@@H](C)NC[C@@H](O)CC(C)(C)C#N)cs1 ZINC000598612964 350294170 /nfs/dbraw/zinc/29/41/70/350294170.db2.gz TUJCZKFZXMJSAZ-MNOVXSKESA-N 0 1 281.425 2.657 20 30 CFEDMN CC(C)(C#N)C[C@@H](O)CN1CCc2cccc(Cl)c2C1 ZINC000598620302 350294304 /nfs/dbraw/zinc/29/43/04/350294304.db2.gz AUQVUAIBEZXWDG-CYBMUJFWSA-N 0 1 292.810 2.999 20 30 CFEDMN COCC#CCN1C[C@@H](C)C[C@H]1c1ccccc1F ZINC000677820100 539794684 /nfs/dbraw/zinc/79/46/84/539794684.db2.gz GIBKCJYWSOBLJS-BBRMVZONSA-N 0 1 261.340 2.858 20 30 CFEDMN CCC(C#N)(CC)C(=O)NC[C@@H](c1cccs1)N(C)C ZINC000598967836 350351192 /nfs/dbraw/zinc/35/11/92/350351192.db2.gz OKEXSGKRYSXWON-LBPRGKRZSA-N 0 1 293.436 2.797 20 30 CFEDMN Cc1noc(C2CCN(Cc3ccc(C)c(C#N)c3)CC2)n1 ZINC000599270256 350403217 /nfs/dbraw/zinc/40/32/17/350403217.db2.gz DXRGWGCVGZCZGM-UHFFFAOYSA-N 0 1 296.374 2.938 20 30 CFEDMN N#CC1(C[C@H](O)CN2CC[C@H]2c2cccc(F)c2)CC1 ZINC000599316191 350414089 /nfs/dbraw/zinc/41/40/89/350414089.db2.gz MGAFIYCPZBYMAU-GJZGRUSLSA-N 0 1 274.339 2.627 20 30 CFEDMN Cc1ccc(CN[C@@H](CO)c2ccccc2C)cc1C#N ZINC000599356718 350422636 /nfs/dbraw/zinc/42/26/36/350422636.db2.gz FJXGFMSBPXTABE-SFHVURJKSA-N 0 1 280.371 2.998 20 30 CFEDMN Cc1ccc(C[N@@H+]2CC[C@H](C)C[C@H]2[C@@H](C)O)cc1C#N ZINC000599383901 350428545 /nfs/dbraw/zinc/42/85/45/350428545.db2.gz HOZVVKUBDUTXPH-QEORTHHSSA-N 0 1 272.392 2.848 20 30 CFEDMN Cc1nn(C)c(C)c1CN[C@H](C)c1cccc(C#N)c1 ZINC000092324698 180362423 /nfs/dbraw/zinc/36/24/23/180362423.db2.gz OUTPFJWTDUMDNC-LLVKDONJSA-N 0 1 268.364 2.759 20 30 CFEDMN COC(=O)[C@@H]1CC[N@@H+](CC#Cc2ccccc2)[C@@H]2CCC[C@H]21 ZINC000599657189 350475441 /nfs/dbraw/zinc/47/54/41/350475441.db2.gz WRMXPMJMXCTHOJ-RCCFBDPRSA-N 0 1 297.398 2.702 20 30 CFEDMN COC(=O)[C@@H]1CCN(CC#Cc2ccccc2)[C@@H]2CCC[C@H]21 ZINC000599657189 350475444 /nfs/dbraw/zinc/47/54/44/350475444.db2.gz WRMXPMJMXCTHOJ-RCCFBDPRSA-N 0 1 297.398 2.702 20 30 CFEDMN CCC(O)(CC)CN(C)Cc1ccc(C#N)cc1F ZINC000599680361 350480871 /nfs/dbraw/zinc/48/08/71/350480871.db2.gz MOLPOMUQRCEUHM-UHFFFAOYSA-N 0 1 264.344 2.680 20 30 CFEDMN C/C=C\C[C@@H]1CCCN([C@@H](C(N)=O)c2ccc(C#N)cc2)C1 ZINC000599689276 350482711 /nfs/dbraw/zinc/48/27/11/350482711.db2.gz IMOZFPJPPLQVBI-LUHHUPOISA-N 0 1 297.402 2.763 20 30 CFEDMN C/C=C/C[C@@H]1CCCN(CC(=O)N[C@](C)(C#N)C(C)C)C1 ZINC000599691830 350483756 /nfs/dbraw/zinc/48/37/56/350483756.db2.gz SYUZCSLEXFASLF-AMFYOEQGSA-N 0 1 291.439 2.719 20 30 CFEDMN C=CCN(C[C@@H]1CN(c2ccccc2)C(=O)O1)C1CC1 ZINC000271382628 191109535 /nfs/dbraw/zinc/10/95/35/191109535.db2.gz INQBZEHASWFEOH-OAHLLOKOSA-N 0 1 272.348 2.662 20 30 CFEDMN C=CCCC(=O)NCc1nc2ccc(Cl)cc2[nH]1 ZINC000600527172 350564390 /nfs/dbraw/zinc/56/43/90/350564390.db2.gz SZGYZZIVOWUSBH-UHFFFAOYSA-N 0 1 263.728 2.799 20 30 CFEDMN N#Cc1ccc(CN2CCC[C@H](c3nnc(C4CC4)[nH]3)C2)o1 ZINC000271389423 191112395 /nfs/dbraw/zinc/11/23/95/191112395.db2.gz STTSUBMFZLXAPO-LBPRGKRZSA-N 0 1 297.362 2.526 20 30 CFEDMN N#Cc1cccc(NCc2ccc3nc[nH]c3c2)c1[N+](=O)[O-] ZINC000600849391 350619480 /nfs/dbraw/zinc/61/94/80/350619480.db2.gz CRRREEIWRLFYNU-UHFFFAOYSA-N 0 1 293.286 2.955 20 30 CFEDMN N#Cc1ccc(-c2cccc([C@H]3COCCN3)c2)s1 ZINC000600774941 350608639 /nfs/dbraw/zinc/60/86/39/350608639.db2.gz HPJYZYLFFIIQFX-CQSZACIVSA-N 0 1 270.357 2.948 20 30 CFEDMN CC1CCN(CCNc2c(F)cc(C#N)cc2F)CC1 ZINC000109810168 186275774 /nfs/dbraw/zinc/27/57/74/186275774.db2.gz ZCVBQNOKDOFNNX-UHFFFAOYSA-N 0 1 279.334 2.980 20 30 CFEDMN C[C@H](N[C@@H](C)[C@H](O)C(F)(F)F)c1cccc(C#N)c1 ZINC000601301313 350720185 /nfs/dbraw/zinc/72/01/85/350720185.db2.gz YASNHWAEZZJWAQ-AUTRQRHGSA-N 0 1 272.270 2.521 20 30 CFEDMN Cc1cccc2nc(CNC(=O)C3(C#N)CC4(CC4)C3)[nH]c21 ZINC000601392927 350728864 /nfs/dbraw/zinc/72/88/64/350728864.db2.gz WQVJZLRYXCCQBX-UHFFFAOYSA-N 0 1 294.358 2.572 20 30 CFEDMN Cc1[nH]n([C@@H]2CCc3c2cccc3F)c(=O)c1CCC#N ZINC000601948985 350816157 /nfs/dbraw/zinc/81/61/57/350816157.db2.gz IEKPVWJZKAIOGK-IAQYHMDHSA-N 0 1 285.322 2.951 20 30 CFEDMN C[C@H]1CC[C@H](C)N1CC(=O)Nc1cc(F)cc(C#N)c1 ZINC000601713077 350767046 /nfs/dbraw/zinc/76/70/46/350767046.db2.gz ANEGDMUGIRINSA-QWRGUYRKSA-N 0 1 275.327 2.509 20 30 CFEDMN CCCCCc1cc(C(=O)N(C)[C@H]2CCC[C@H]2C#N)n[nH]1 ZINC000601809862 350781441 /nfs/dbraw/zinc/78/14/41/350781441.db2.gz ZWCLQROLYZWNQP-WFASDCNBSA-N 0 1 288.395 2.907 20 30 CFEDMN N#Cc1ccc(CN2C[C@@H]3COC[C@@H]3C2)c(C(F)(F)F)c1 ZINC000601978401 350822610 /nfs/dbraw/zinc/82/26/10/350822610.db2.gz YMGNKFXFDKKNCL-BETUJISGSA-N 0 1 296.292 2.655 20 30 CFEDMN C[C@H]1OCC[C@@H]1Cn1[nH]c(C(C)(C)C)c(CCC#N)c1=O ZINC000601923081 350802919 /nfs/dbraw/zinc/80/29/19/350802919.db2.gz OJXUWZBJYZGFKZ-VXGBXAGGSA-N 0 1 291.395 2.767 20 30 CFEDMN Cc1[nH]n(CCCc2ccccc2)c(=O)c1CCC#N ZINC000601938712 350810303 /nfs/dbraw/zinc/81/03/03/350810303.db2.gz ISKCUNPVUHRECZ-HNNXBMFYSA-N 0 1 269.348 2.757 20 30 CFEDMN Cc1[nH]n(Cc2cccc(Cl)c2)c(=O)c1CCC#N ZINC000601938255 350810539 /nfs/dbraw/zinc/81/05/39/350810539.db2.gz FBAUHMICZJABJP-ZDUSSCGKSA-N 0 1 275.739 2.978 20 30 CFEDMN Cc1[nH]n(CCCOc2ccccc2)c(=O)c1CCC#N ZINC000601940846 350810912 /nfs/dbraw/zinc/81/09/12/350810912.db2.gz TWDJKASYUQGMRY-OAHLLOKOSA-N 0 1 285.347 2.594 20 30 CFEDMN N#Cc1c(F)cccc1CN[C@@H]1CCCc2cn[nH]c21 ZINC000602010538 350829816 /nfs/dbraw/zinc/82/98/16/350829816.db2.gz FBHCAQBTXJDGBY-CQSZACIVSA-N 0 1 270.311 2.588 20 30 CFEDMN C[C@@H](O)CC(C)(C)CNCc1cccc(F)c1C#N ZINC000602011631 350830289 /nfs/dbraw/zinc/83/02/89/350830289.db2.gz OSVMJEBTUGAYSQ-LLVKDONJSA-N 0 1 264.344 2.584 20 30 CFEDMN CC(C)(C)OC(=O)CCCNCc1cccc(F)c1C#N ZINC000602011686 350830758 /nfs/dbraw/zinc/83/07/58/350830758.db2.gz JPXYEWUUWBCJNT-UHFFFAOYSA-N 0 1 292.354 2.909 20 30 CFEDMN CO[C@H](CNCc1cccc(F)c1C#N)C(C)(C)C ZINC000602013381 350831581 /nfs/dbraw/zinc/83/15/81/350831581.db2.gz NDJXQUVPQHLQRD-CQSZACIVSA-N 0 1 264.344 2.848 20 30 CFEDMN C[C@H](COCC1CC1)NCc1cccc(F)c1C#N ZINC000602022164 350834070 /nfs/dbraw/zinc/83/40/70/350834070.db2.gz XWOXNKBOCDLAAT-LLVKDONJSA-N 0 1 262.328 2.602 20 30 CFEDMN CC[C@@](C)(CNCc1cccc(F)c1C#N)OC ZINC000602022740 350834106 /nfs/dbraw/zinc/83/41/06/350834106.db2.gz GZDGTQWLDLXFEK-AWEZNQCLSA-N 0 1 250.317 2.602 20 30 CFEDMN C[C@@H](NC(=O)[C@@H]1CCN1C1CCCC1)c1ccc(C#N)cc1 ZINC000602052720 350836679 /nfs/dbraw/zinc/83/66/79/350836679.db2.gz NQPSPRUIKBHHSY-DYVFJYSZSA-N 0 1 297.402 2.752 20 30 CFEDMN C=CCN(Cc1cccc(C#N)c1)C(=O)[C@@H]1CCCCN1C ZINC000602089006 350839130 /nfs/dbraw/zinc/83/91/30/350839130.db2.gz VCCZSFYAGRIEOF-KRWDZBQOSA-N 0 1 297.402 2.557 20 30 CFEDMN C[C@H](NC(=O)[C@H]1CCN1C1CCCC1)c1cccc(C#N)c1 ZINC000602109665 350842198 /nfs/dbraw/zinc/84/21/98/350842198.db2.gz UJOFXXPUPBSNIE-SUMWQHHRSA-N 0 1 297.402 2.752 20 30 CFEDMN CC[C@@H](C)CN(C)CC(=O)Nc1oc(C)c(C)c1C#N ZINC000111254592 186379064 /nfs/dbraw/zinc/37/90/64/186379064.db2.gz PYEZDHHQWITXSH-SNVBAGLBSA-N 0 1 277.368 2.685 20 30 CFEDMN C[C@H]([C@H]1Cc2ccccc2O1)N(C)Cc1cccc(C#N)n1 ZINC000602486806 350903286 /nfs/dbraw/zinc/90/32/86/350903286.db2.gz PUEQOMSVTBDJFD-FZKQIMNGSA-N 0 1 293.370 2.777 20 30 CFEDMN CC(C)c1cc(CN[C@@H](C)CC2(C#N)CCOCC2)on1 ZINC000602544687 350919216 /nfs/dbraw/zinc/91/92/16/350919216.db2.gz JZQDHKLCTJHDCT-ZDUSSCGKSA-N 0 1 291.395 2.987 20 30 CFEDMN COc1ncc(CN[C@H](C)c2cccc(C#N)c2)s1 ZINC000602564436 350926110 /nfs/dbraw/zinc/92/61/10/350926110.db2.gz GBHWEBJXCQNOEC-SNVBAGLBSA-N 0 1 273.361 2.874 20 30 CFEDMN Cn1cc([C@H](NCc2cccc(C#N)n2)C(C)(C)C)cn1 ZINC000602563874 350926231 /nfs/dbraw/zinc/92/62/31/350926231.db2.gz HNTABPONYLYMAB-HNNXBMFYSA-N 0 1 283.379 2.564 20 30 CFEDMN CCc1cnccc1[C@H](C)NCc1cccc(C#N)n1 ZINC000602579731 350932997 /nfs/dbraw/zinc/93/29/97/350932997.db2.gz BJKDVSUICCAPLZ-LBPRGKRZSA-N 0 1 266.348 2.761 20 30 CFEDMN Cc1ccccc1OCCN(C)Cc1cccc(C#N)n1 ZINC000602435717 350881300 /nfs/dbraw/zinc/88/13/00/350881300.db2.gz KXTPRGIKFSDCJG-UHFFFAOYSA-N 0 1 281.359 2.773 20 30 CFEDMN C[C@@H](CCC#N)CN1CCN(C(=O)CC(C)(C)C)CC1 ZINC000602441556 350885021 /nfs/dbraw/zinc/88/50/21/350885021.db2.gz PRQSDNOJVVTPPH-AWEZNQCLSA-N 0 1 279.428 2.507 20 30 CFEDMN CC(C)CCOC1CCN(Cc2cccc(C#N)n2)CC1 ZINC000602451386 350888437 /nfs/dbraw/zinc/88/84/37/350888437.db2.gz GMRAHHVQVWXBGY-UHFFFAOYSA-N 0 1 287.407 2.980 20 30 CFEDMN N#Cc1cccc(CN2CCC[C@H](Oc3ccccc3)C2)n1 ZINC000602454019 350889120 /nfs/dbraw/zinc/88/91/20/350889120.db2.gz NGTRWJVHABWANK-SFHVURJKSA-N 0 1 293.370 2.997 20 30 CFEDMN CCOC(=O)[C@@H]1CC[C@H](NCc2cccc(F)c2C#N)C1 ZINC000602647292 350961151 /nfs/dbraw/zinc/96/11/51/350961151.db2.gz ZMJKWBIMBOOEGQ-YPMHNXCESA-N 0 1 290.338 2.519 20 30 CFEDMN COc1cc2c(cc1F)CC[C@@H]2NCc1cccc(C#N)n1 ZINC000602657351 350963422 /nfs/dbraw/zinc/96/34/22/350963422.db2.gz FPAVMDNSDSVXDO-INIZCTEOSA-N 0 1 297.333 2.878 20 30 CFEDMN C[C@H](CCC#N)CN[C@@H](C)c1ncc(Br)cn1 ZINC000602669389 350969997 /nfs/dbraw/zinc/96/99/97/350969997.db2.gz IINFCHIIYJTYLI-ZJUUUORDSA-N 0 1 297.200 2.830 20 30 CFEDMN CC[C@](C)(CN1CCN(c2ccsc2C#N)CC1)OC ZINC000602711002 350992815 /nfs/dbraw/zinc/99/28/15/350992815.db2.gz ZVIIGAOKDDOKIA-OAHLLOKOSA-N 0 1 293.436 2.557 20 30 CFEDMN CC(C)[C@H](O)[C@H](NCc1cccc(C#N)n1)c1ccccc1 ZINC000602713363 350995058 /nfs/dbraw/zinc/99/50/58/350995058.db2.gz LXJGDTSCWJWUPK-MSOLQXFVSA-N 0 1 295.386 2.801 20 30 CFEDMN COc1cccc(CNCc2cccc(C#N)n2)c1C ZINC000602717621 350997810 /nfs/dbraw/zinc/99/78/10/350997810.db2.gz PEVLIHVCCVJJJV-UHFFFAOYSA-N 0 1 267.332 2.560 20 30 CFEDMN C[C@@H](CCC#N)CN1CCN([C@@H](C)c2nccs2)CC1 ZINC000602616659 350948210 /nfs/dbraw/zinc/94/82/10/350948210.db2.gz KURWRUYOQSPHOL-KBPBESRZSA-N 0 1 292.452 2.762 20 30 CFEDMN C[C@@H](CCC#N)CN1CCO[C@@H](COc2ccccc2)C1 ZINC000602634399 350955329 /nfs/dbraw/zinc/95/53/29/350955329.db2.gz OZRLOVJGLFFBIU-DOTOQJQBSA-N 0 1 288.391 2.706 20 30 CFEDMN CC(C)(C)OC(=O)C1CCN(CC2(CC#N)CC2)CC1 ZINC000602772367 351020367 /nfs/dbraw/zinc/02/03/67/351020367.db2.gz HMHCKLPJTRCZLE-UHFFFAOYSA-N 0 1 278.396 2.734 20 30 CFEDMN COc1cccc2c1CCN(CC1(CC#N)CC1)C2 ZINC000602804835 351032674 /nfs/dbraw/zinc/03/26/74/351032674.db2.gz LNKWZDDKKREGKD-UHFFFAOYSA-N 0 1 256.349 2.747 20 30 CFEDMN CN(CC1(CC#N)CC1)[C@@H](c1nnc[nH]1)c1ccccc1 ZINC000602839380 351042152 /nfs/dbraw/zinc/04/21/52/351042152.db2.gz YPCPKQKSWHRGQE-CQSZACIVSA-N 0 1 281.363 2.520 20 30 CFEDMN N#CCC1(CN[C@H](CCO)c2ccccc2F)CC1 ZINC000602852040 351045180 /nfs/dbraw/zinc/04/51/80/351045180.db2.gz NIFCYPCONMATAA-CQSZACIVSA-N 0 1 262.328 2.533 20 30 CFEDMN N#Cc1ccc(CN2CCC[C@@H](c3cccnc3)C2)nc1 ZINC000602854024 351045845 /nfs/dbraw/zinc/04/58/45/351045845.db2.gz KXVWOCQILYCWHH-MRXNPFEDSA-N 0 1 278.359 2.728 20 30 CFEDMN C[C@H](c1ccc(C#N)cc1)N1C[C@@H](C)N(CC#N)[C@@H](C)C1 ZINC000602856065 351046854 /nfs/dbraw/zinc/04/68/54/351046854.db2.gz JQMSTSIVZVHNPO-QLFBSQMISA-N 0 1 282.391 2.537 20 30 CFEDMN C[C@@H]1CN(CCSc2ccccc2)C[C@H](C)N1CC#N ZINC000602857088 351047647 /nfs/dbraw/zinc/04/76/47/351047647.db2.gz OWILTONAJFLRTB-GASCZTMLSA-N 0 1 289.448 2.697 20 30 CFEDMN C[C@H]1CN(CCc2ccccc2Cl)C[C@H](C)N1CC#N ZINC000602857072 351047677 /nfs/dbraw/zinc/04/76/77/351047677.db2.gz OTQFEKOHLPCHFB-KBPBESRZSA-N 0 1 291.826 2.801 20 30 CFEDMN COc1ccc(NC(=O)CCN[C@@H](C)CC#N)cc1Cl ZINC000602867085 351052147 /nfs/dbraw/zinc/05/21/47/351052147.db2.gz BHJBAUBDCKDQKB-JTQLQIEISA-N 0 1 295.770 2.569 20 30 CFEDMN CN(CC#N)Cc1nc2ccc(C(F)(F)F)cc2[nH]1 ZINC000602892220 351059155 /nfs/dbraw/zinc/05/91/55/351059155.db2.gz HJANJQFLDYNRTL-UHFFFAOYSA-N 0 1 268.242 2.537 20 30 CFEDMN COC(=O)c1oc(CN[C@@H]2CCC[C@@H](C#N)C2)cc1C ZINC000602744851 351012302 /nfs/dbraw/zinc/01/23/02/351012302.db2.gz UBLQHQRJMWHIQA-VXGBXAGGSA-N 0 1 276.336 2.547 20 30 CFEDMN CC(C)c1ccc(CCN2CCN(CCC#N)CC2)cc1 ZINC000602748902 351013146 /nfs/dbraw/zinc/01/31/46/351013146.db2.gz WCBNKDGDWQJWFK-UHFFFAOYSA-N 0 1 285.435 2.884 20 30 CFEDMN CN1CCN(C(=O)c2cccc(CC#N)c2)C[C@H]1C(C)(C)C ZINC000603144503 351110609 /nfs/dbraw/zinc/11/06/09/351110609.db2.gz ZMEBSJXXEDUMMM-INIZCTEOSA-N 0 1 299.418 2.555 20 30 CFEDMN CCn1nc(C)c(C[N@@H+](C)CCCSCC#N)c1C ZINC000602926045 351068032 /nfs/dbraw/zinc/06/80/32/351068032.db2.gz NZVCYCFJFPLPFO-UHFFFAOYSA-N 0 1 280.441 2.599 20 30 CFEDMN CN(C[C@H](O)CC1CCCC1)[C@H]1CCC[C@@H]1C#N ZINC000602979739 351081282 /nfs/dbraw/zinc/08/12/82/351081282.db2.gz HSZNHWOABSNYLH-KFWWJZLASA-N 0 1 250.386 2.552 20 30 CFEDMN CN(Cc1cccc(-n2cccn2)c1)[C@@H]1CCC[C@H]1C#N ZINC000602979837 351081324 /nfs/dbraw/zinc/08/13/24/351081324.db2.gz IHYICMOILXYDFB-DOTOQJQBSA-N 0 1 280.375 2.996 20 30 CFEDMN CN(Cc1ccc(-n2ccnc2)cc1)[C@@H]1CCC[C@@H]1C#N ZINC000602980606 351082743 /nfs/dbraw/zinc/08/27/43/351082743.db2.gz SFVJHJSVHRZBKJ-NVXWUHKLSA-N 0 1 280.375 2.996 20 30 CFEDMN C[C@@H](CN(C)[C@@H](C(N)=O)c1ccc(C#N)cc1)C(C)(C)C ZINC000603056468 351096610 /nfs/dbraw/zinc/09/66/10/351096610.db2.gz SGDDNQREMZOGCF-SWLSCSKDSA-N 0 1 287.407 2.699 20 30 CFEDMN CCc1ccccc1-n1[nH]c(C)c(CCC#N)c1=O ZINC000603921608 351192221 /nfs/dbraw/zinc/19/22/21/351192221.db2.gz ZDNNQQWTJLXXCQ-CYBMUJFWSA-N 0 1 255.321 2.891 20 30 CFEDMN CCN(CC)Cc1ccc(C(=O)N(CC)C[C@@H](C)C#N)o1 ZINC000604506166 351216389 /nfs/dbraw/zinc/21/63/89/351216389.db2.gz WTXMLFWWQLRADY-ZDUSSCGKSA-N 0 1 291.395 2.743 20 30 CFEDMN C[C@H](CN(C)CC(=O)N[C@](C)(C#N)C1CC1)c1ccccc1 ZINC000608977213 351482924 /nfs/dbraw/zinc/48/29/24/351482924.db2.gz LDQNKOURERAGNN-RDTXWAMCSA-N 0 1 299.418 2.530 20 30 CFEDMN C=CCCCN1CCN(c2oc(C3CC3)nc2C#N)CC1 ZINC000609798351 351521148 /nfs/dbraw/zinc/52/11/48/351521148.db2.gz VUTUQQDYPWCNLT-UHFFFAOYSA-N 0 1 286.379 2.512 20 30 CFEDMN COc1ccc(Cl)cc1NC(=O)CCN[C@H](C)CC#N ZINC000610474249 351568696 /nfs/dbraw/zinc/56/86/96/351568696.db2.gz CEPJMGJLQKIQLQ-SNVBAGLBSA-N 0 1 295.770 2.569 20 30 CFEDMN N#Cc1ccc(CNc2cnn(-c3ccncc3)c2)s1 ZINC000610511917 351575185 /nfs/dbraw/zinc/57/51/85/351575185.db2.gz CSCSZORBSKOGNG-UHFFFAOYSA-N 0 1 281.344 2.813 20 30 CFEDMN C[C@@H](N[C@H](C)c1cccc(C#N)c1)C(=O)N1CCC(C)CC1 ZINC000610346629 351556906 /nfs/dbraw/zinc/55/69/06/351556906.db2.gz ZJQXREVLPIFDDH-HUUCEWRRSA-N 0 1 299.418 2.856 20 30 CFEDMN N#Cc1cc(CN2CCC(C3CCOCC3)CC2)ccn1 ZINC000611039721 351636126 /nfs/dbraw/zinc/63/61/26/351636126.db2.gz OETOZQBHBZBPFO-UHFFFAOYSA-N 0 1 285.391 2.592 20 30 CFEDMN CN(C)c1cccc(CN(C)Cc2ccnc(C#N)c2)c1 ZINC000611171631 351646526 /nfs/dbraw/zinc/64/65/26/351646526.db2.gz CSMJLKFGBBIQHD-UHFFFAOYSA-N 0 1 280.375 2.651 20 30 CFEDMN CC(C)CNC(=O)C(C#N)c1nc2cc(F)ccc2s1 ZINC000611249138 351656809 /nfs/dbraw/zinc/65/68/09/351656809.db2.gz MTPNSJCZPGDMRR-JTQLQIEISA-N 0 1 291.351 2.815 20 30 CFEDMN CN(CCOC(C)(C)C)Cc1ccc(F)c(C#N)c1 ZINC000610859651 351615516 /nfs/dbraw/zinc/61/55/16/351615516.db2.gz FWIFSOXPKTZUNQ-UHFFFAOYSA-N 0 1 264.344 2.944 20 30 CFEDMN N#Cc1cnc(C(=O)Nc2c(O)cccc2F)c(Cl)c1 ZINC000610891528 351619072 /nfs/dbraw/zinc/61/90/72/351619072.db2.gz RZYMNAJVUGSWCX-UHFFFAOYSA-N 0 1 291.669 2.704 20 30 CFEDMN C[C@H](NCC(=O)NC1CCCCC1)c1cccc(C#N)c1 ZINC000611387305 351678077 /nfs/dbraw/zinc/67/80/77/351678077.db2.gz JWGUGDZYFXYTRN-ZDUSSCGKSA-N 0 1 285.391 2.658 20 30 CFEDMN C[C@H](NCC(=O)N(C)c1ccccc1)c1cccc(C#N)c1 ZINC000611386282 351678498 /nfs/dbraw/zinc/67/84/98/351678498.db2.gz JYZWVMCBZURDGT-AWEZNQCLSA-N 0 1 293.370 2.872 20 30 CFEDMN C[C@@H](NCC(=O)Nc1cccc(F)c1)c1cccc(C#N)c1 ZINC000611389345 351679719 /nfs/dbraw/zinc/67/97/19/351679719.db2.gz SXPJSMIGUHIUJC-GFCCVEGCSA-N 0 1 297.333 2.987 20 30 CFEDMN C[C@H]1CCN(CCC(=O)Nc2ccc(C#N)cc2)C[C@H]1F ZINC000611502006 351699380 /nfs/dbraw/zinc/69/93/80/351699380.db2.gz LQZYZYQORBVZPF-SWLSCSKDSA-N 0 1 289.354 2.567 20 30 CFEDMN CC[C@@H](C)CCCCC(=O)NC1(C#N)CCN(C)CC1 ZINC000612052239 351766008 /nfs/dbraw/zinc/76/60/08/351766008.db2.gz HLQQANDIKQITSD-CQSZACIVSA-N 0 1 279.428 2.697 20 30 CFEDMN CC[C@@H](NCc1ccnc(C#N)c1)c1c(C)noc1C ZINC000612490898 351826896 /nfs/dbraw/zinc/82/68/96/351826896.db2.gz JLFYAGSDUGJCDL-CQSZACIVSA-N 0 1 270.336 2.799 20 30 CFEDMN Cc1n[nH]c(C(C)C)c1C(=O)N1CCC[C@@](C)(C#N)C1 ZINC000612365865 351808916 /nfs/dbraw/zinc/80/89/16/351808916.db2.gz APTZRORFGANPBA-HNNXBMFYSA-N 0 1 274.368 2.607 20 30 CFEDMN C=C[C@@](C)(O)C(=O)Nc1cccc2c1CN(CC(C)C)C2 ZINC000612710965 351855420 /nfs/dbraw/zinc/85/54/20/351855420.db2.gz GUOKYJQZQGZAFO-QGZVFWFLSA-N 0 1 288.391 2.534 20 30 CFEDMN C#C[C@H](NC(=O)c1cccc2nc(C)[nH]c21)C(C)(C)C ZINC000291776956 198089250 /nfs/dbraw/zinc/08/92/50/198089250.db2.gz ULDBRUJWJRUFPS-ZDUSSCGKSA-N 0 1 269.348 2.649 20 30 CFEDMN C[C@H](O)C[C@H]1CCCCN1Cc1cc(C#N)ccc1F ZINC000123731802 187106501 /nfs/dbraw/zinc/10/65/01/187106501.db2.gz WRIKSUTZYWLAPP-SWLSCSKDSA-N 0 1 276.355 2.823 20 30 CFEDMN C[C@@H](O)C[C@H]1CCCCN1Cc1cc(C#N)ccc1F ZINC000123732037 187106952 /nfs/dbraw/zinc/10/69/52/187106952.db2.gz WRIKSUTZYWLAPP-IUODEOHRSA-N 0 1 276.355 2.823 20 30 CFEDMN COc1ccc([C@@H](C)NCc2ccc(C#N)cn2)cc1OC ZINC000615092227 352152180 /nfs/dbraw/zinc/15/21/80/352152180.db2.gz MUQUKFMOPATEOB-GFCCVEGCSA-N 0 1 297.358 2.821 20 30 CFEDMN CC(C)(C)c1ccc(C#N)c(N2CCN3CCC2CC3)n1 ZINC000615727555 352236131 /nfs/dbraw/zinc/23/61/31/352236131.db2.gz CNRKORKQROIYJT-UHFFFAOYSA-N 0 1 284.407 2.535 20 30 CFEDMN C=CCC(CC=C)C(=O)NCc1ccc2nc[nH]c2c1 ZINC000615790437 352242674 /nfs/dbraw/zinc/24/26/74/352242674.db2.gz VBKOYJGCKUGXIH-UHFFFAOYSA-N 0 1 269.348 2.948 20 30 CFEDMN C=CCN(C(=O)c1cc(-c2cccs2)[nH]n1)C1CC1 ZINC000271503133 191179413 /nfs/dbraw/zinc/17/94/13/191179413.db2.gz KUAFYRDKZGBPHB-UHFFFAOYSA-N 0 1 273.361 2.929 20 30 CFEDMN C#CCOc1ccccc1CN[C@H](C)c1cn(C)nc1C ZINC000271546845 191205026 /nfs/dbraw/zinc/20/50/26/191205026.db2.gz ZHHIOVIQGVGCDG-CYBMUJFWSA-N 0 1 283.375 2.591 20 30 CFEDMN C=CCN(C(=O)c1ccc(O)c(Cl)c1)[C@H](C)COC ZINC000617576640 352593990 /nfs/dbraw/zinc/59/39/90/352593990.db2.gz YNCLVNKZIZJZSH-SNVBAGLBSA-N 0 1 283.755 2.709 20 30 CFEDMN C=CC[C@H]1CCCN(C(=O)c2ccc(CN(C)C)nc2)C1 ZINC000617778399 352641727 /nfs/dbraw/zinc/64/17/27/352641727.db2.gz FQAOHSWEJYSINZ-AWEZNQCLSA-N 0 1 287.407 2.572 20 30 CFEDMN C[C@H]1CN(Cc2ccc(CC#N)cc2)C2(CCC2)CO1 ZINC000593091367 539917973 /nfs/dbraw/zinc/91/79/73/539917973.db2.gz GXXBDWVGDUNTFX-AWEZNQCLSA-N 0 1 270.376 2.896 20 30 CFEDMN C=CCC[C@@H](C(=O)N(C)CC1CN(C)C1)c1ccccc1 ZINC000618190772 352734648 /nfs/dbraw/zinc/73/46/48/352734648.db2.gz FUZYWTGDTZWJID-QGZVFWFLSA-N 0 1 286.419 2.756 20 30 CFEDMN C=CCSc1ccccc1C(=O)N(C)CC1CN(C)C1 ZINC000618190753 352735056 /nfs/dbraw/zinc/73/50/56/352735056.db2.gz FCMGHGSSODTRIQ-UHFFFAOYSA-N 0 1 290.432 2.598 20 30 CFEDMN CC[C@@H](NCc1cc(C)ncn1)c1ccc(C#N)cc1 ZINC000618572303 352814962 /nfs/dbraw/zinc/81/49/62/352814962.db2.gz PCSULECTTRXEGH-MRXNPFEDSA-N 0 1 266.348 2.898 20 30 CFEDMN C=Cn1cc(CN[C@H](C)c2cccc(C#N)c2)cn1 ZINC000618598982 352830434 /nfs/dbraw/zinc/83/04/34/352830434.db2.gz VBJCWZHQCMTGTK-GFCCVEGCSA-N 0 1 252.321 2.706 20 30 CFEDMN C=CCCCCCN1CCN([C@H](C#N)C(C)C)CC1 ZINC000618752611 352877105 /nfs/dbraw/zinc/87/71/05/352877105.db2.gz JFBMTFSOYYCIMW-MRXNPFEDSA-N 0 1 263.429 2.899 20 30 CFEDMN CC[N@H+]1CCN(C(=O)C[C@@H](CC#N)c2ccccc2)C[C@H]1C ZINC000619441040 353024415 /nfs/dbraw/zinc/02/44/15/353024415.db2.gz HCIYVKXYKBUBGP-NVXWUHKLSA-N 0 1 299.418 2.627 20 30 CFEDMN CCN1CCN(C(=O)C[C@@H](CC#N)c2ccccc2)C[C@H]1C ZINC000619441040 353024418 /nfs/dbraw/zinc/02/44/18/353024418.db2.gz HCIYVKXYKBUBGP-NVXWUHKLSA-N 0 1 299.418 2.627 20 30 CFEDMN N#Cc1ccc(CN2CCOC[C@@H](C3CCC3)C2)c(F)c1 ZINC000292243533 198215096 /nfs/dbraw/zinc/21/50/96/198215096.db2.gz XAKIHAWUFZPRFA-INIZCTEOSA-N 0 1 288.366 2.946 20 30 CFEDMN N#Cc1ccsc1NC(=O)CCN1CCC(F)(F)CC1 ZINC000619516107 353031441 /nfs/dbraw/zinc/03/14/41/353031441.db2.gz MNMNKZKDJFSDMD-UHFFFAOYSA-N 0 1 299.346 2.679 20 30 CFEDMN C=C[C@H](Nc1cccc2c1CN(CCC)C2)C(=O)OC ZINC000619734452 353061479 /nfs/dbraw/zinc/06/14/79/353061479.db2.gz JPQYWQLNSDMDEC-AWEZNQCLSA-N 0 1 274.364 2.552 20 30 CFEDMN Cc1ccc(O)c(CNCc2ccc(C#N)c(Cl)c2)n1 ZINC000619748334 353062703 /nfs/dbraw/zinc/06/27/03/353062703.db2.gz ATMCDORVOCVCFB-UHFFFAOYSA-N 0 1 287.750 2.911 20 30 CFEDMN N#Cc1ccc(CNCc2cccc(C(N)=O)c2)cc1Cl ZINC000619748450 353063353 /nfs/dbraw/zinc/06/33/53/353063353.db2.gz LTZAXZHOLKZZPQ-UHFFFAOYSA-N 0 1 299.761 2.600 20 30 CFEDMN C=C1C[C@H]2CC[C@@H](C1)N2C(=O)c1cc(C(C)C)[nH]n1 ZINC000620314818 353151032 /nfs/dbraw/zinc/15/10/32/353151032.db2.gz RSRUBOHFWTYBNO-TXEJJXNPSA-N 0 1 259.353 2.856 20 30 CFEDMN C=CC(C)(C)C(=O)NC[C@H]1CCN1Cc1ccccc1 ZINC000620780705 353231833 /nfs/dbraw/zinc/23/18/33/353231833.db2.gz MICMLGGLDGBWGG-OAHLLOKOSA-N 0 1 272.392 2.589 20 30 CFEDMN C[C@@H]1CCN(Cc2cc(C#N)ccc2F)C[C@@H]1n1ccnc1 ZINC000156452336 188263490 /nfs/dbraw/zinc/26/34/90/188263490.db2.gz IEYOAFNTWCHQAJ-DYVFJYSZSA-N 0 1 298.365 2.977 20 30 CFEDMN CN(CC#Cc1ccc(F)cc1)CCOCC1CC1 ZINC000156798001 188281317 /nfs/dbraw/zinc/28/13/17/188281317.db2.gz LJWPVZUMRSTJDJ-UHFFFAOYSA-N 0 1 261.340 2.536 20 30 CFEDMN C=CCN(CC=C)Cc1cc2c(c(OC)c1)OCO2 ZINC000158117852 188358989 /nfs/dbraw/zinc/35/89/89/188358989.db2.gz AZWKKEVOEDDJOU-UHFFFAOYSA-N 0 1 261.321 2.598 20 30 CFEDMN Cc1nc(NCC2=CC[N@@H+](C)CC2)c(Cl)cc1C#N ZINC000292675870 198371682 /nfs/dbraw/zinc/37/16/82/198371682.db2.gz QSFNJKOIQQQIHL-UHFFFAOYSA-N 0 1 276.771 2.589 20 30 CFEDMN OCC[C@H]1CCCCN1CC#Cc1cccc(Cl)c1 ZINC000158465321 188377912 /nfs/dbraw/zinc/37/79/12/188377912.db2.gz OFAYIUPDMLOXKW-MRXNPFEDSA-N 0 1 277.795 2.928 20 30 CFEDMN C=CCCCCCN(C)C(=O)C(C)(C)c1c[nH]cn1 ZINC000621879086 353437582 /nfs/dbraw/zinc/43/75/82/353437582.db2.gz LEONSSHFZADKQB-UHFFFAOYSA-N 0 1 263.385 2.892 20 30 CFEDMN N#Cc1ccc(O[C@@H]2CCN(Cc3ccsc3)C2)nc1 ZINC000292718886 198387717 /nfs/dbraw/zinc/38/77/17/198387717.db2.gz FCCRTDMWQBDLHA-CQSZACIVSA-N 0 1 285.372 2.668 20 30 CFEDMN C=CCN(CCn1ccccc1=O)Cc1ccccc1 ZINC000622501019 353528006 /nfs/dbraw/zinc/52/80/06/353528006.db2.gz ZYEWLAOVPNBQSI-UHFFFAOYSA-N 0 1 268.360 2.537 20 30 CFEDMN C=CCN(CC=C)C(=O)CN[C@H](C)c1cccc(OC)c1 ZINC000271706873 191284367 /nfs/dbraw/zinc/28/43/67/191284367.db2.gz UKPGLKMMVFFPHS-CQSZACIVSA-N 0 1 288.391 2.546 20 30 CFEDMN C=C(C)COCCN[C@@H]1CCCc2scnc21 ZINC000623920237 353759473 /nfs/dbraw/zinc/75/94/73/353759473.db2.gz FUQZVOKAJIGTOY-LLVKDONJSA-N 0 1 252.383 2.703 20 30 CFEDMN C=CC[C@H]1CC[N@H+](CC(=O)Nc2ccc(C)cc2)C1 ZINC000625700020 354088033 /nfs/dbraw/zinc/08/80/33/354088033.db2.gz GXUTUOQNBXPUGO-AWEZNQCLSA-N 0 1 258.365 2.832 20 30 CFEDMN C=CC[C@H]1CCN(Cc2nc(-c3ccco3)no2)C1 ZINC000625703033 354090317 /nfs/dbraw/zinc/09/03/17/354090317.db2.gz XNIWIILEMFRZRM-NSHDSACASA-N 0 1 259.309 2.728 20 30 CFEDMN C=CC[C@@H]1CCN(CC(=O)Nc2cccc(OC)c2)C1 ZINC000625705245 354092311 /nfs/dbraw/zinc/09/23/11/354092311.db2.gz ZGPYJNQGQPQWSG-CYBMUJFWSA-N 0 1 274.364 2.532 20 30 CFEDMN C=C(C)CN(CC)C(=O)CN1CCCC(F)(F)CC1 ZINC000625767841 354104321 /nfs/dbraw/zinc/10/43/21/354104321.db2.gz XCUCOBYBYLSPDC-UHFFFAOYSA-N 0 1 274.355 2.532 20 30 CFEDMN C=CCN(CC=C)C(=O)CN[C@H](c1ccccn1)C1CCC1 ZINC000625783825 354109924 /nfs/dbraw/zinc/10/99/24/354109924.db2.gz VSDCBDBWWRQYEY-SFHVURJKSA-N 0 1 299.418 2.713 20 30 CFEDMN C=CC[C@@H]1CCN(Cc2c(C(F)(F)F)cnn2C)C1 ZINC000628406323 354579814 /nfs/dbraw/zinc/57/98/14/354579814.db2.gz HMBJRUMOTFZBPH-SNVBAGLBSA-N 0 1 273.302 2.837 20 30 CFEDMN C=CCCCC[N@@H+]1CC[C@H](C(=O)[O-])[C@H]2CCC[C@H]21 ZINC000629374607 354793077 /nfs/dbraw/zinc/79/30/77/354793077.db2.gz TVWSXGXCICKSJV-HZSPNIEDSA-N 0 1 251.370 2.918 20 30 CFEDMN C=CCOc1cccc(NC(=O)CN(C)C2CCC2)c1 ZINC000629952003 354960449 /nfs/dbraw/zinc/96/04/49/354960449.db2.gz PMVYIVNIHOCIPM-UHFFFAOYSA-N 0 1 274.364 2.674 20 30 CFEDMN C=CC1CCN(C(=O)c2cc(-c3ccccc3O)[nH]n2)CC1 ZINC000629959761 354964358 /nfs/dbraw/zinc/96/43/58/354964358.db2.gz KPVMCQXROYBQQZ-UHFFFAOYSA-N 0 1 297.358 2.821 20 30 CFEDMN C=C1CC(C)(C(=O)NC2CCN(Cc3ccncc3)CC2)C1 ZINC000630773026 355172924 /nfs/dbraw/zinc/17/29/24/355172924.db2.gz CCTSHRUUTGJUBG-UHFFFAOYSA-N 0 1 299.418 2.519 20 30 CFEDMN C=CCNC(=O)CNC/C=C/c1cc(C)c(C)cc1C ZINC000631108753 355295086 /nfs/dbraw/zinc/29/50/86/355295086.db2.gz GLTHHEMSSJTKJX-VOTSOKGWSA-N 0 1 272.392 2.517 20 30 CFEDMN C=CCCC(C)(C)CN[C@@H](c1nnc[nH]1)c1cccnc1 ZINC000631679556 355545300 /nfs/dbraw/zinc/54/53/00/355545300.db2.gz IAUUHSIDWBSMGK-CQSZACIVSA-N 0 1 285.395 2.871 20 30 CFEDMN N#Cc1ccc(F)cc1CN1CC[C@H]([C@H]2CCOC2)C1 ZINC000335855517 283152260 /nfs/dbraw/zinc/15/22/60/283152260.db2.gz GMKHXAKXFFXQHB-KBPBESRZSA-N 0 1 274.339 2.556 20 30 CFEDMN N#Cc1ccccc1CN1CC[C@@]2(O)CCCC[C@H]2C1 ZINC000227360875 283214185 /nfs/dbraw/zinc/21/41/85/283214185.db2.gz VAUVNSOCMOESHP-IRXDYDNUSA-N 0 1 270.376 2.685 20 30 CFEDMN N#Cc1cccc([N+](=O)[O-])c1CN1C[C@H]2CCC[C@@H]2C1 ZINC000459340790 283212701 /nfs/dbraw/zinc/21/27/01/283212701.db2.gz JBQMTQQLBXIPSC-CHWSQXEVSA-N 0 1 271.320 2.698 20 30 CFEDMN N#Cc1sc(N[C@@H]2CCCc3cn[nH]c32)nc1Cl ZINC000283765303 283260213 /nfs/dbraw/zinc/26/02/13/283260213.db2.gz NRWVMFKJQMBIAX-SSDOTTSWSA-N 0 1 279.756 2.881 20 30 CFEDMN C=CCC1(CNC(=O)CCc2cnc[nH]2)CCCC1 ZINC000456481355 540269941 /nfs/dbraw/zinc/26/99/41/540269941.db2.gz BCUROLQSPXPRER-UHFFFAOYSA-N 0 1 261.369 2.595 20 30 CFEDMN C=CCC[C@H](O)CN1CCN(c2ccccc2F)C[C@H]1C ZINC000249129825 540281264 /nfs/dbraw/zinc/28/12/64/540281264.db2.gz USBKAHSQDHWKOW-CABCVRRESA-N 0 1 292.398 2.663 20 30 CFEDMN C=CCC(F)(F)C(=O)N1CCC(c2cc(C)[nH]n2)CC1 ZINC000294630816 199114256 /nfs/dbraw/zinc/11/42/56/199114256.db2.gz QQGNRGSYFQUCOG-UHFFFAOYSA-N 0 1 283.322 2.636 20 30 CFEDMN C=CCOCCN[C@@H](c1nc(C)cs1)C1CC1 ZINC000294685139 199133186 /nfs/dbraw/zinc/13/31/86/199133186.db2.gz SUPZTFJKOMTNHL-GFCCVEGCSA-N 0 1 252.383 2.695 20 30 CFEDMN CCc1nc(CNc2c(Cl)cccc2C#N)n[nH]1 ZINC000294944603 199264018 /nfs/dbraw/zinc/26/40/18/199264018.db2.gz LUSLJLPVAHSVPV-UHFFFAOYSA-N 0 1 261.716 2.504 20 30 CFEDMN C=C(C)CN(CC)C(=O)[C@H](C)N[C@@H](C)c1cnccc1C ZINC000679944587 542255433 /nfs/dbraw/zinc/25/54/33/542255433.db2.gz NYDQGDFHISXVMB-GJZGRUSLSA-N 0 1 289.423 2.854 20 30 CFEDMN C=CCN(CC=C)C(=O)CN[C@H](C)c1ccsc1 ZINC000669938116 540621609 /nfs/dbraw/zinc/62/16/09/540621609.db2.gz DCFJNORZUQUMRT-GFCCVEGCSA-N 0 1 264.394 2.599 20 30 CFEDMN C=CCC(CC=C)C(=O)NCc1ccc2cncn2c1 ZINC000297343712 200155665 /nfs/dbraw/zinc/15/56/65/200155665.db2.gz UFIBCRJGRURZNI-UHFFFAOYSA-N 0 1 269.348 2.719 20 30 CFEDMN C=CCCCN(C)C(=O)[C@@H](N)c1cccc(Cl)c1 ZINC000159620266 540660154 /nfs/dbraw/zinc/66/01/54/540660154.db2.gz GHNMNGLBRPKAJZ-ZDUSSCGKSA-N 0 1 266.772 2.764 20 30 CFEDMN C#CCN(CC)Cc1cc(Cl)c(O)c(OCC)c1 ZINC000297597161 200237836 /nfs/dbraw/zinc/23/78/36/200237836.db2.gz FQWFDVKSOJAMLY-UHFFFAOYSA-N 0 1 267.756 2.899 20 30 CFEDMN CCOC1(C)CCN(Cc2ccccc2C#N)CC1 ZINC000298226267 200365248 /nfs/dbraw/zinc/36/52/48/200365248.db2.gz GUDBKYDNDSNVBR-UHFFFAOYSA-N 0 1 258.365 2.949 20 30 CFEDMN CCN(CC(=O)Nc1sc(C)c(C)c1C#N)CC1CC1 ZINC000177168193 189033743 /nfs/dbraw/zinc/03/37/43/189033743.db2.gz PSGHFBPRTVHPLE-UHFFFAOYSA-N 0 1 291.420 2.907 20 30 CFEDMN C=C[C@@H]1CCCCN1C(=O)N[C@@H]1CCCc2cn[nH]c21 ZINC000683840555 540782392 /nfs/dbraw/zinc/78/23/92/540782392.db2.gz ADXMFTYRVBELAZ-CHWSQXEVSA-N 0 1 274.368 2.537 20 30 CFEDMN CCN(Cc1cncnc1)[C@H](C)c1ccc(C#N)cc1 ZINC000179463080 189195828 /nfs/dbraw/zinc/19/58/28/189195828.db2.gz CLMDIJCZXBGINW-CYBMUJFWSA-N 0 1 266.348 2.931 20 30 CFEDMN CC[C@H](C)NC(=O)[C@@H](C)N[C@H](C)c1ccc(C#N)cc1 ZINC000252431950 540931186 /nfs/dbraw/zinc/93/11/86/540931186.db2.gz SROXDDUVATXCJB-YNEHKIRRSA-N 0 1 273.380 2.512 20 30 CFEDMN C#CCCCCC(=O)Nc1nc(-c2ccc(C)o2)n[nH]1 ZINC000179888513 189225563 /nfs/dbraw/zinc/22/55/63/189225563.db2.gz CAFIIRXAMXHTOH-UHFFFAOYSA-N 0 1 272.308 2.505 20 30 CFEDMN Cn1cc(CN2CCSCC2)c(-c2ccc(C#N)cc2)n1 ZINC000179912410 189227855 /nfs/dbraw/zinc/22/78/55/189227855.db2.gz TWXRVECNZQWHKE-UHFFFAOYSA-N 0 1 298.415 2.508 20 30 CFEDMN C#CCCCCC(=O)NC[C@@H](c1ccco1)N(CC)CC ZINC000179874484 189225374 /nfs/dbraw/zinc/22/53/74/189225374.db2.gz XSAUVJKEBRMLKB-HNNXBMFYSA-N 0 1 290.407 2.972 20 30 CFEDMN N#Cc1ccc(CN2CCC3(CCCC3=O)CC2)cc1 ZINC000661954124 541031452 /nfs/dbraw/zinc/03/14/52/541031452.db2.gz UQFFSBFOSNCSII-UHFFFAOYSA-N 0 1 268.360 2.893 20 30 CFEDMN C[C@H]1SCCN(Cc2ccc(C#N)s2)[C@@H]1C ZINC000127804242 291260781 /nfs/dbraw/zinc/26/07/81/291260781.db2.gz RJRIOMXKLSBCGO-NXEZZACHSA-N 0 1 252.408 2.946 20 30 CFEDMN C=CCNC(=O)CN[C@@H](CC(C)C)c1ccccc1OC ZINC000181706696 189304801 /nfs/dbraw/zinc/30/48/01/189304801.db2.gz OYTUXAOQVJIAFR-HNNXBMFYSA-N 0 1 290.407 2.674 20 30 CFEDMN COCCn1cc(CN(C)[C@H](C)c2cccc(C#N)c2)cn1 ZINC000425368414 239031984 /nfs/dbraw/zinc/03/19/84/239031984.db2.gz WRSYGJDFZLKWTE-CQSZACIVSA-N 0 1 298.390 2.594 20 30 CFEDMN C=CCC[C@@H](CO)N[C@@H](C)c1nc(C)sc1C ZINC000321413806 541328270 /nfs/dbraw/zinc/32/82/70/541328270.db2.gz JQBLCMLCXUHPLC-CABZTGNLSA-N 0 1 254.399 2.738 20 30 CFEDMN C=CCN1CCC(c2nc(C(=O)OCC)cs2)CC1 ZINC000191567515 189600048 /nfs/dbraw/zinc/60/00/48/189600048.db2.gz HGXQAXXDFCABNJ-UHFFFAOYSA-N 0 1 280.393 2.685 20 30 CFEDMN C[C@@H](NCc1n[nH]c(C(C)(C)C)n1)c1cccc(C#N)c1 ZINC000432775254 240039509 /nfs/dbraw/zinc/03/95/09/240039509.db2.gz HLXXEUUMFPIRLB-LLVKDONJSA-N 0 1 283.379 2.825 20 30 CFEDMN C=CCC[C@H](O)CN1CCC[C@@H]1c1nc2c([nH]1)CCCC2 ZINC000275517549 193065377 /nfs/dbraw/zinc/06/53/77/193065377.db2.gz BGUCFUFQMFMSOS-XJKSGUPXSA-N 0 1 289.423 2.753 20 30 CFEDMN COc1cc(CN(C)Cc2ccc[nH]2)ccc1C#N ZINC000442881848 241012110 /nfs/dbraw/zinc/01/21/10/241012110.db2.gz OHRPZCOADMSSTE-UHFFFAOYSA-N 0 1 255.321 2.527 20 30 CFEDMN Cc1cc(CN[C@@H](C)c2n[nH]c(C(C)C)n2)ccc1C#N ZINC000444000388 241106300 /nfs/dbraw/zinc/10/63/00/241106300.db2.gz WHTFZWFHMORJLP-LBPRGKRZSA-N 0 1 283.379 2.959 20 30 CFEDMN CN(Cc1ccccc1C#N)[C@@H](CO)CC(C)(C)C ZINC000449582398 242049497 /nfs/dbraw/zinc/04/94/97/242049497.db2.gz FZGWZHBCDSIBEN-OAHLLOKOSA-N 0 1 260.381 2.787 20 30 CFEDMN C=C[C@@H](C)NC(=O)NC[C@@H](c1ccc(Cl)cc1)N(C)C ZINC000674933630 541609486 /nfs/dbraw/zinc/60/94/86/541609486.db2.gz DLTIHXYSMWJWCI-RISCZKNCSA-N 0 1 295.814 2.816 20 30 CFEDMN COC(=O)c1cc(C#N)cc(-c2ccc(F)c(O)c2)c1 ZINC001243052519 781959636 /nfs/dbraw/zinc/95/96/36/781959636.db2.gz YVLWHMDCCXGMHK-UHFFFAOYSA-N 0 1 271.247 2.857 20 30 CFEDMN CO[C@H]1C[C@H](NCc2cccc(F)c2C#N)C1(C)C ZINC000451511212 242865489 /nfs/dbraw/zinc/86/54/89/242865489.db2.gz VYCFJBJYGCBYKW-KBPBESRZSA-N 0 1 262.328 2.600 20 30 CFEDMN Cc1cc(C[C@H](C)NC(=O)Nc2cc(C)cc(C#N)c2)n[nH]1 ZINC000455949930 244037164 /nfs/dbraw/zinc/03/71/64/244037164.db2.gz DWYXQVPYRYRPEJ-NSHDSACASA-N 0 1 297.362 2.651 20 30 CFEDMN C=C[C@](C)(CCOC)C(=O)NOCc1ccc(F)cc1 ZINC000276318093 193285159 /nfs/dbraw/zinc/28/51/59/193285159.db2.gz WMGAUWHOQIJXHU-OAHLLOKOSA-N 0 1 281.327 2.602 20 30 CFEDMN C=CCCN(C)[C@@H](C)C(=O)Nc1ccc(OC)cc1 ZINC000276399911 193315994 /nfs/dbraw/zinc/31/59/94/193315994.db2.gz KLCGHXCHNAEYCD-LBPRGKRZSA-N 0 1 262.353 2.530 20 30 CFEDMN C=C(C)[C@H](CO)N(C)Cc1ccc(Br)s1 ZINC000677047518 541813560 /nfs/dbraw/zinc/81/35/60/541813560.db2.gz DAQNHZXRYNVPCH-JTQLQIEISA-N 0 1 290.226 2.879 20 30 CFEDMN CO[C@H]1C[C@H](NCc2cccc(F)c2C#N)C12CCC2 ZINC000459744775 245300937 /nfs/dbraw/zinc/30/09/37/245300937.db2.gz DTEGEUFGBYZFGW-GJZGRUSLSA-N 0 1 274.339 2.745 20 30 CFEDMN C=CCOc1ccc(CNCc2cc(C)ncn2)cc1 ZINC000677424513 541855689 /nfs/dbraw/zinc/85/56/89/541855689.db2.gz CAEZRKISRGGCRR-UHFFFAOYSA-N 0 1 269.348 2.640 20 30 CFEDMN COCC#CCN(C)[C@H](C)c1cccc(Cl)c1 ZINC000677477270 541864887 /nfs/dbraw/zinc/86/48/87/541864887.db2.gz BLGRIZHYUXXWLE-GFCCVEGCSA-N 0 1 251.757 2.983 20 30 CFEDMN C=C(C)CN(CC)C(=O)[C@H](C)Sc1nc(C2CC2)n[nH]1 ZINC000028759479 372369969 /nfs/dbraw/zinc/36/99/69/372369969.db2.gz QJTDQTAYLVRZDV-JTQLQIEISA-N 0 1 294.424 2.587 20 30 CFEDMN C=C(C)CN(CC)C(=O)[C@H](C)Sc1n[nH]c(C2CC2)n1 ZINC000028759479 372369974 /nfs/dbraw/zinc/36/99/74/372369974.db2.gz QJTDQTAYLVRZDV-JTQLQIEISA-N 0 1 294.424 2.587 20 30 CFEDMN N#Cc1cccc(CNCc2ccc(C#N)cc2F)c1 ZINC000037749386 372696729 /nfs/dbraw/zinc/69/67/29/372696729.db2.gz OJSGKEGGAVCCGJ-UHFFFAOYSA-N 0 1 265.291 2.859 20 30 CFEDMN N#CC(C(=O)c1cc(C2CC2)[nH]n1)c1nc2ccccc2[nH]1 ZINC000041494472 372844525 /nfs/dbraw/zinc/84/45/25/372844525.db2.gz UPFZUDVRSUHGQC-JTQLQIEISA-N 0 1 291.314 2.653 20 30 CFEDMN Cc1csc(C(C#N)C(=O)c2cccc([N+](=O)[O-])c2)n1 ZINC000041520578 372845224 /nfs/dbraw/zinc/84/52/24/372845224.db2.gz IOEVZIHWOMVBAP-LLVKDONJSA-N 0 1 287.300 2.850 20 30 CFEDMN Cc1csc([C@H](C#N)C(=O)c2cccc([N+](=O)[O-])c2)n1 ZINC000041520578 372845230 /nfs/dbraw/zinc/84/52/30/372845230.db2.gz IOEVZIHWOMVBAP-LLVKDONJSA-N 0 1 287.300 2.850 20 30 CFEDMN CCN(C[C@H](C)C#N)C(=O)c1ccc(O)c(Cl)c1 ZINC000042448246 372924235 /nfs/dbraw/zinc/92/42/35/372924235.db2.gz BSOBSGBDGGLAMX-SECBINFHSA-N 0 1 266.728 2.667 20 30 CFEDMN CN(CCc1ccncc1)Cc1cc(C#N)ccc1F ZINC000047867207 373121460 /nfs/dbraw/zinc/12/14/60/373121460.db2.gz IKRATJKHKSXUPU-UHFFFAOYSA-N 0 1 269.323 2.767 20 30 CFEDMN CCC(C#N)(CC)C(=O)N(C)Cc1cc(C(C)(C)C)[nH]n1 ZINC000529188137 383688451 /nfs/dbraw/zinc/68/84/51/383688451.db2.gz RMWLDDDZAWUYSG-UHFFFAOYSA-N 0 1 290.411 2.996 20 30 CFEDMN Cc1occc1CN(C)CCOc1ccccc1C#N ZINC000048755910 373218000 /nfs/dbraw/zinc/21/80/00/373218000.db2.gz GAOMDRZERFQPAU-UHFFFAOYSA-N 0 1 270.332 2.971 20 30 CFEDMN CC(C)c1cc(C(=O)C(C#N)c2nc3ccccc3[nH]2)n[nH]1 ZINC000048813219 373224517 /nfs/dbraw/zinc/22/45/17/373224517.db2.gz ZQRIYUPAERBHPN-JTQLQIEISA-N 0 1 293.330 2.899 20 30 CFEDMN CC(C)c1cc(C(=O)[C@H](C#N)c2nc3ccccc3[nH]2)n[nH]1 ZINC000048813219 373224528 /nfs/dbraw/zinc/22/45/28/373224528.db2.gz ZQRIYUPAERBHPN-JTQLQIEISA-N 0 1 293.330 2.899 20 30 CFEDMN CN(CC(=O)Nc1nncs1)C1CCCCCC1 ZINC000048561421 373200978 /nfs/dbraw/zinc/20/09/78/373200978.db2.gz CIYQPYZPNUOSSO-UHFFFAOYSA-N 0 1 268.386 2.781 20 30 CFEDMN CC[C@H]1CO[C@@H](C)CN1CCCOc1cccc(C#N)c1 ZINC000048915008 373231642 /nfs/dbraw/zinc/23/16/42/373231642.db2.gz ZFPOQOLMOKZSTN-HOCLYGCPSA-N 0 1 288.391 2.826 20 30 CFEDMN C=CCN(CCc1ccccc1)C(=O)c1cc(C)[nH]n1 ZINC000049451714 373296727 /nfs/dbraw/zinc/29/67/27/373296727.db2.gz MFFLCKQKSLHCDH-UHFFFAOYSA-N 0 1 269.348 2.589 20 30 CFEDMN N#Cc1ccc(C[N@@H+]2CCC[C@H](CCC(=O)[O-])C2)cc1 ZINC000049842177 373321409 /nfs/dbraw/zinc/32/14/09/373321409.db2.gz VKVVIBNHWBCNGE-CQSZACIVSA-N 0 1 272.348 2.635 20 30 CFEDMN Cc1nc([C@H](Nc2ncccc2C#N)c2ccccc2)n[nH]1 ZINC000057840166 373614645 /nfs/dbraw/zinc/61/46/45/373614645.db2.gz PZHWLHVQNFWELY-CQSZACIVSA-N 0 1 290.330 2.581 20 30 CFEDMN COc1cc(CN[C@H](C)c2ccncc2)ccc1C#N ZINC000234950840 220228309 /nfs/dbraw/zinc/22/83/09/220228309.db2.gz PGQCMHGODKJRBB-GFCCVEGCSA-N 0 1 267.332 2.813 20 30 CFEDMN CO[C@H](C)C(=O)Nc1nc(-c2ccccc2Cl)n[nH]1 ZINC000068084198 374021982 /nfs/dbraw/zinc/02/19/82/374021982.db2.gz MQMVWZFDUHEMQW-SSDOTTSWSA-N 0 1 280.715 2.748 20 30 CFEDMN COCC#CCN1CCC(N2c3ccccc3C[C@@H]2C)CC1 ZINC000677818607 541910266 /nfs/dbraw/zinc/91/02/66/541910266.db2.gz DAJXHJGPBCYWQX-INIZCTEOSA-N 0 1 298.430 2.552 20 30 CFEDMN CCN1C[C@H](C)N(C(=O)/C=C\c2cccc(C#N)c2)C[C@H]1C ZINC000492293582 246247783 /nfs/dbraw/zinc/24/77/83/246247783.db2.gz FYLCRZKEFOCTOX-AYPKIECRSA-N 0 1 297.402 2.513 20 30 CFEDMN C=CCNC(=O)CN(Cc1ccc(C)c(C)c1)C1CC1 ZINC000097493555 375566609 /nfs/dbraw/zinc/56/66/09/375566609.db2.gz RNPDXEMJKXNNTR-UHFFFAOYSA-N 0 1 272.392 2.570 20 30 CFEDMN COCC#CCN1CC=C(c2cccc(C)c2)CC1 ZINC000678465950 542030085 /nfs/dbraw/zinc/03/00/85/542030085.db2.gz JYDFUZNQDRAUJA-UHFFFAOYSA-N 0 1 255.361 2.734 20 30 CFEDMN CC(C)CCN(CCC#N)C(=O)c1[nH]nc2ccccc21 ZINC000103440660 375745592 /nfs/dbraw/zinc/74/55/92/375745592.db2.gz YZEQDIQFDYYVKV-UHFFFAOYSA-N 0 1 284.363 2.965 20 30 CFEDMN CCN(CCC(=O)Nc1ccc(OC)cc1)C[C@@H](C)C#N ZINC000103469580 375749217 /nfs/dbraw/zinc/74/92/17/375749217.db2.gz CMEJPRXPQKZMJU-ZDUSSCGKSA-N 0 1 289.379 2.505 20 30 CFEDMN CC(C)(C)CN(CCC#N)CCC(=O)NC1CCCC1 ZINC000109813680 375823319 /nfs/dbraw/zinc/82/33/19/375823319.db2.gz UNIDYGYWPWQHBO-UHFFFAOYSA-N 0 1 279.428 2.697 20 30 CFEDMN CCOc1ccccc1[C@@H](CC)NCC#CCOC ZINC000678742942 542063811 /nfs/dbraw/zinc/06/38/11/542063811.db2.gz BAGQPZYRWJRALA-OAHLLOKOSA-N 0 1 261.365 2.776 20 30 CFEDMN C=CC1CCN(C(=O)c2c[nH]c3ccccc3c2=O)CC1 ZINC000110967681 375834029 /nfs/dbraw/zinc/83/40/29/375834029.db2.gz WXUGWCWMJDRAGE-UHFFFAOYSA-N 0 1 282.343 2.566 20 30 CFEDMN CC(C)[C@H]1CCCN([C@H](C(N)=O)c2ccc(C#N)cc2)CC1 ZINC000115545283 376137225 /nfs/dbraw/zinc/13/72/25/376137225.db2.gz SMYZNFBJLGLQIO-RDJZCZTQSA-N 0 1 299.418 2.843 20 30 CFEDMN C[C@H](O)[C@H]1CCCCN1Cc1cn2ccccc2c1C#N ZINC000264370454 190105641 /nfs/dbraw/zinc/10/56/41/190105641.db2.gz AVKFOLWSKDCCQT-XJKSGUPXSA-N 0 1 283.375 2.546 20 30 CFEDMN COc1cc(C#N)ccc1C[N@H+]1CCC2(CCC2)C1 ZINC000121207960 376781637 /nfs/dbraw/zinc/78/16/37/376781637.db2.gz WSUUQVCDRCJKDA-UHFFFAOYSA-N 0 1 256.349 2.943 20 30 CFEDMN Cc1ccccc1OCCN(C)Cc1ccc(C#N)o1 ZINC000121535243 376852693 /nfs/dbraw/zinc/85/26/93/376852693.db2.gz FFDMSWZWNZLISK-UHFFFAOYSA-N 0 1 270.332 2.971 20 30 CFEDMN C=CCNC(=O)C(C#N)c1nc(-c2ccccc2)cs1 ZINC000122059140 376922481 /nfs/dbraw/zinc/92/24/81/376922481.db2.gz GGWQTSGNIGVVLD-LBPRGKRZSA-N 0 1 283.356 2.719 20 30 CFEDMN C#C[C@H](C)NCc1c(C)nn(-c2ccccc2)c1C ZINC000123124850 376946781 /nfs/dbraw/zinc/94/67/81/376946781.db2.gz IIFFTFLNDPRMQH-LBPRGKRZSA-N 0 1 253.349 2.600 20 30 CFEDMN N#CC1CCN(Cc2c[nH]nc2-c2ccc(F)cc2)CC1 ZINC000123727432 376970961 /nfs/dbraw/zinc/97/09/61/376970961.db2.gz DSOIEUIAHOCTLP-UHFFFAOYSA-N 0 1 284.338 2.951 20 30 CFEDMN CN(CCC#N)C(=O)c1cc(-c2ccccc2Cl)[nH]n1 ZINC000126713167 377244921 /nfs/dbraw/zinc/24/49/21/377244921.db2.gz UTVYJRNQONIZPO-UHFFFAOYSA-N 0 1 288.738 2.716 20 30 CFEDMN C=C(C)CN(CC)[C@H](C)C(=O)NCCc1ccccc1C ZINC000125937766 377203309 /nfs/dbraw/zinc/20/33/09/377203309.db2.gz XTAHLORFMRVTDK-MRXNPFEDSA-N 0 1 288.435 2.940 20 30 CFEDMN C=C(C)CN(CC)[C@@H](C)C(=O)NCc1ccccc1F ZINC000125953710 377204525 /nfs/dbraw/zinc/20/45/25/377204525.db2.gz GAYQWDYUMBXVEA-ZDUSSCGKSA-N 0 1 278.371 2.728 20 30 CFEDMN CCCN(CC#N)C(=O)c1cc(-c2ccc(C)cc2)[nH]n1 ZINC000127801591 377304276 /nfs/dbraw/zinc/30/42/76/377304276.db2.gz NGEADAODHHLNSQ-UHFFFAOYSA-N 0 1 282.347 2.761 20 30 CFEDMN C[C@@H]1CCCN(CCNc2ncc(C#N)cc2Cl)C1 ZINC000265147183 190161601 /nfs/dbraw/zinc/16/16/01/190161601.db2.gz RWIBXDQXKNQZQZ-LLVKDONJSA-N 0 1 278.787 2.750 20 30 CFEDMN N#Cc1ccc(CN2CCC[C@H](n3cccn3)C2)s1 ZINC000130262666 377530243 /nfs/dbraw/zinc/53/02/43/377530243.db2.gz YMUXUCQOKISHGO-LBPRGKRZSA-N 0 1 272.377 2.653 20 30 CFEDMN CN(C)Cc1cc(CNc2ncccc2C#N)ccc1F ZINC000265216832 190166648 /nfs/dbraw/zinc/16/66/48/190166648.db2.gz NLVFHSHMULNIME-UHFFFAOYSA-N 0 1 284.338 2.766 20 30 CFEDMN C=CCOCCNCc1nc2ccc(Cl)cc2n1C ZINC000679485413 542196574 /nfs/dbraw/zinc/19/65/74/542196574.db2.gz FSWHFXXYRRHDGC-UHFFFAOYSA-N 0 1 279.771 2.519 20 30 CFEDMN N#CCC[C@@H](C#N)CN1CC[C@H](Cc2ccccc2)C1 ZINC000130888123 377626892 /nfs/dbraw/zinc/62/68/92/377626892.db2.gz FQJHLSVGJAICEU-SJORKVTESA-N 0 1 267.376 2.995 20 30 CFEDMN C[C@@H]1C[C@@H](Nc2ncc(C#N)cc2Cl)CN1C1CC1 ZINC000133513881 377936066 /nfs/dbraw/zinc/93/60/66/377936066.db2.gz WPHBHQLMPKZEJY-MWLCHTKSSA-N 0 1 276.771 2.644 20 30 CFEDMN C=C1CCN(C[C@@H]2CN(c3ccccc3)C(=O)O2)CC1 ZINC000265997252 190222011 /nfs/dbraw/zinc/22/20/11/190222011.db2.gz MAEVOBHDPDCWBM-OAHLLOKOSA-N 0 1 272.348 2.664 20 30 CFEDMN Fc1ccc(C#CCSc2nc(C3CC3)n[nH]2)cc1 ZINC000135289711 378111396 /nfs/dbraw/zinc/11/13/96/378111396.db2.gz LIHOPOVNDQHOTR-UHFFFAOYSA-N 0 1 273.336 2.965 20 30 CFEDMN Fc1ccc(C#CCSc2n[nH]c(C3CC3)n2)cc1 ZINC000135289711 378111401 /nfs/dbraw/zinc/11/14/01/378111401.db2.gz LIHOPOVNDQHOTR-UHFFFAOYSA-N 0 1 273.336 2.965 20 30 CFEDMN CC(C)CCN(CCC#N)C(=O)CN1CCC(C)CC1 ZINC000136239794 378192006 /nfs/dbraw/zinc/19/20/06/378192006.db2.gz VKGLRGWTWSCPQC-UHFFFAOYSA-N 0 1 279.428 2.507 20 30 CFEDMN C[C@H](C(=O)NC1CCCC1)[N@H+]1CCC[C@@H](n2cccn2)C1 ZINC000328691890 378416263 /nfs/dbraw/zinc/41/62/63/378416263.db2.gz JAHNRWAZPVIWGB-UKRRQHHQSA-N 0 1 290.411 2.808 20 30 CFEDMN C[C@H](C(=O)NC1CCCC1)N1CCC[C@@H](n2cccn2)C1 ZINC000328691890 378416268 /nfs/dbraw/zinc/41/62/68/378416268.db2.gz JAHNRWAZPVIWGB-UKRRQHHQSA-N 0 1 290.411 2.808 20 30 CFEDMN O=C(N[C@@H]1CCCc2cn[nH]c21)C1(C2CC2)CCOCC1 ZINC000329603623 378467987 /nfs/dbraw/zinc/46/79/87/378467987.db2.gz GLFZTRLOJHZXFL-CYBMUJFWSA-N 0 1 289.379 2.950 20 30 CFEDMN O=C(N[C@@H]1CCC(=O)NC12CCC2)[C@H]1CCC[N@H+]1C1CC1 ZINC000328725883 378418184 /nfs/dbraw/zinc/41/81/84/378418184.db2.gz ZINUTHGEJKRVEJ-CHWSQXEVSA-N 0 1 291.395 2.611 20 30 CFEDMN O=C(N[C@@H]1CCC(=O)NC12CCC2)[C@H]1CCCN1C1CC1 ZINC000328725883 378418189 /nfs/dbraw/zinc/41/81/89/378418189.db2.gz ZINUTHGEJKRVEJ-CHWSQXEVSA-N 0 1 291.395 2.611 20 30 CFEDMN Cc1noc(C)c1C(=O)N[C@@H]1CN(C)C[C@@H]1c1ccccc1 ZINC000328800139 378427566 /nfs/dbraw/zinc/42/75/66/378427566.db2.gz HYUQCXZTEZDHNN-HUUCEWRRSA-N 0 1 299.374 2.694 20 30 CFEDMN CC[C@@H]1CCCC[C@@H]1NC(=O)[C@H]1CCc2[nH]nnc2C1 ZINC000328919383 378439851 /nfs/dbraw/zinc/43/98/51/378439851.db2.gz BPRSZGXSUSSYKG-WOPDTQHZSA-N 0 1 276.384 2.835 20 30 CFEDMN CC[C@@H]1CCCC[C@@H]1NC(=O)[C@H]1CCc2nn[nH]c2C1 ZINC000328919383 378439857 /nfs/dbraw/zinc/43/98/57/378439857.db2.gz BPRSZGXSUSSYKG-WOPDTQHZSA-N 0 1 276.384 2.835 20 30 CFEDMN CC[C@@H]1CCCN(C(=O)N[C@H]2CCc3nc[nH]c3C2)CC1 ZINC000329740494 378489235 /nfs/dbraw/zinc/48/92/35/378489235.db2.gz OAJSNXNYULFGNI-OLZOCXBDSA-N 0 1 290.411 2.693 20 30 CFEDMN C[C@H](NC(=O)C[C@@H]1CCCCC(=O)N1)C1=CC[N@@H+](C)CC1 ZINC000329821619 378501931 /nfs/dbraw/zinc/50/19/31/378501931.db2.gz GUHMCJPIPDETRN-JSGCOSHPSA-N 0 1 293.411 2.883 20 30 CFEDMN C[C@@H]1CC[C@H](NC([O-])=[NH+][C@@H]2CCc3c[nH]nc3C2)[C@H](C)C1 ZINC000329850952 378505054 /nfs/dbraw/zinc/50/50/54/378505054.db2.gz SQYUFZFXRNNZFL-OXHZDVMGSA-N 0 1 290.411 2.595 20 30 CFEDMN C[C@@H]1CC[C@H]([NH+]=C([O-])N[C@@H]2CCc3c[nH]nc3C2)[C@H](C)C1 ZINC000329850952 378505060 /nfs/dbraw/zinc/50/50/60/378505060.db2.gz SQYUFZFXRNNZFL-OXHZDVMGSA-N 0 1 290.411 2.595 20 30 CFEDMN CC[C@@H](C)NC(=O)NCc1nc2cccc(C)c2[nH]1 ZINC000330560456 378583667 /nfs/dbraw/zinc/58/36/67/378583667.db2.gz SAKRYOUALDQEBF-SNVBAGLBSA-N 0 1 260.341 2.673 20 30 CFEDMN C=C(C)C[C@H](C)C(=O)N1CCCC[C@@H]1c1n[nH]c(C)n1 ZINC000330407231 378547688 /nfs/dbraw/zinc/54/76/88/378547688.db2.gz ZHVIXYHQOKRRRL-WCQYABFASA-N 0 1 276.384 2.769 20 30 CFEDMN COCC(C)(C)NC(=O)c1cccc2nc(C)[nH]c21 ZINC000330454918 378560752 /nfs/dbraw/zinc/56/07/52/378560752.db2.gz WMDDBYDISLKGPO-UHFFFAOYSA-N 0 1 261.325 2.601 20 30 CFEDMN COCC#CCN1[C@H](C)c2ccc(OC)cc2C[C@@H]1C ZINC000679834906 542239616 /nfs/dbraw/zinc/23/96/16/542239616.db2.gz WHPQYMFSJMBODG-UONOGXRCSA-N 0 1 273.376 2.653 20 30 CFEDMN Cc1nc(C(C#N)C(=O)NC2CCCCC2)sc1C ZINC000155651210 378630826 /nfs/dbraw/zinc/63/08/26/378630826.db2.gz YEFFQNSRBVVHCM-LBPRGKRZSA-N 0 1 277.393 2.816 20 30 CFEDMN C[C@H](NCc1ccc(C#N)o1)c1ccc2c(c1)CC(=O)N2C ZINC000266173691 190237127 /nfs/dbraw/zinc/23/71/27/190237127.db2.gz DBBYCCODBZSBIQ-NSHDSACASA-N 0 1 295.342 2.521 20 30 CFEDMN CC#CCN(Cc1cccc(OC)c1)C[C@H]1CCCO1 ZINC000159655141 378722547 /nfs/dbraw/zinc/72/25/47/378722547.db2.gz GHYVQCVIYQUYAF-QGZVFWFLSA-N 0 1 273.376 2.700 20 30 CFEDMN CC#CC[N@H+](Cc1cccc(OC)c1)C[C@@H]1CCCO1 ZINC000159654992 378722857 /nfs/dbraw/zinc/72/28/57/378722857.db2.gz GHYVQCVIYQUYAF-KRWDZBQOSA-N 0 1 273.376 2.700 20 30 CFEDMN CC#CCN(Cc1cccc(OC)c1)C[C@@H]1CCCO1 ZINC000159654992 378722864 /nfs/dbraw/zinc/72/28/64/378722864.db2.gz GHYVQCVIYQUYAF-KRWDZBQOSA-N 0 1 273.376 2.700 20 30 CFEDMN CN(Cc1cc(F)ccc1C#N)C[C@H]1CCCOC1 ZINC000160247401 378759586 /nfs/dbraw/zinc/75/95/86/378759586.db2.gz WIYNSMODZYZFKA-GFCCVEGCSA-N 0 1 262.328 2.556 20 30 CFEDMN CCNC(=O)C(C#N)c1nc2cc(Cl)ccc2s1 ZINC000161412249 378844028 /nfs/dbraw/zinc/84/40/28/378844028.db2.gz VPMWPGFEMBECTN-MRVPVSSYSA-N 0 1 279.752 2.693 20 30 CFEDMN C=C(C)COc1cccc(NC(=O)[C@@H](CC)N(C)C)c1 ZINC000161697214 378865847 /nfs/dbraw/zinc/86/58/47/378865847.db2.gz XMKGLTZOWNEHJY-OAHLLOKOSA-N 0 1 276.380 2.920 20 30 CFEDMN N#C[C@@H]1CC[C@@H](N2CC[C@@]3(C2)CC(=O)c2ccccc2O3)C1 ZINC000334027249 378889817 /nfs/dbraw/zinc/88/98/17/378889817.db2.gz HZSDARKPNMMPPO-LBTNJELSSA-N 0 1 296.370 2.789 20 30 CFEDMN C=CCNC(=O)Nc1ccc2nc(C(F)F)[nH]c2c1 ZINC000162254268 378903460 /nfs/dbraw/zinc/90/34/60/378903460.db2.gz AENCISUCCCGCNS-UHFFFAOYSA-N 0 1 266.251 2.808 20 30 CFEDMN C=CCOc1cccc(NC(=O)[C@H](CC)N(C)C)c1 ZINC000162530403 378915347 /nfs/dbraw/zinc/91/53/47/378915347.db2.gz QAWXQZDUTPAPTA-AWEZNQCLSA-N 0 1 262.353 2.530 20 30 CFEDMN CCc1nn(C)c(CC)c1CNCc1cccc(C#N)c1 ZINC000169285085 379105503 /nfs/dbraw/zinc/10/55/03/379105503.db2.gz QCYMICCECFTKAE-UHFFFAOYSA-N 0 1 282.391 2.706 20 30 CFEDMN C=CCN1CCC[C@@H](N(C)C(=O)OC(C)(C)C)C1 ZINC000170652681 379134452 /nfs/dbraw/zinc/13/44/52/379134452.db2.gz UCEHVNLZOFHSSX-GFCCVEGCSA-N 0 1 254.374 2.504 20 30 CFEDMN Cc1cc(CN2CC=C(c3ccnn3C)CC2)ccc1C#N ZINC000334456543 379331386 /nfs/dbraw/zinc/33/13/86/379331386.db2.gz HMVIZIFIKFEMPO-UHFFFAOYSA-N 0 1 292.386 2.890 20 30 CFEDMN C=CCC[C@H](NCC1(C)OCCO1)c1ccco1 ZINC000278939181 194220498 /nfs/dbraw/zinc/22/04/98/194220498.db2.gz LXBPSMHVLOQJHI-LBPRGKRZSA-N 0 1 251.326 2.640 20 30 CFEDMN C=CCN(CCC1OCCCO1)Cc1ccccc1F ZINC000267036977 190299042 /nfs/dbraw/zinc/29/90/42/190299042.db2.gz GKMPQEOCQLPRAA-UHFFFAOYSA-N 0 1 279.355 2.967 20 30 CFEDMN OC[C@@H]1CCCN(CC#Cc2ccc(C(F)(F)F)cc2)C1 ZINC000267362256 190323860 /nfs/dbraw/zinc/32/38/60/190323860.db2.gz IJMHYWANLFIOLR-CQSZACIVSA-N 0 1 297.320 2.761 20 30 CFEDMN CO[C@@H]1CCN(Cc2cc(C#N)ccc2F)C[C@H]1C ZINC000334687624 379768145 /nfs/dbraw/zinc/76/81/45/379768145.db2.gz BZLYOEGRZOGEFI-IAQYHMDHSA-N 0 1 262.328 2.554 20 30 CFEDMN N#CC1(CN2CCC[C@@]3(CCSC3)C2)CCC1 ZINC000334688723 379769524 /nfs/dbraw/zinc/76/95/24/379769524.db2.gz TXQAWVIXFQGKRH-CQSZACIVSA-N 0 1 250.411 2.899 20 30 CFEDMN Cc1ccc(C#N)cc1NC(=O)CN1[C@H](C)CC[C@@H]1C ZINC000335760718 379846327 /nfs/dbraw/zinc/84/63/27/379846327.db2.gz FBPONVQJZLMLHL-BETUJISGSA-N 0 1 271.364 2.678 20 30 CFEDMN C[C@@H](NCc1ccc(C#N)o1)c1ccc(-n2cncn2)cc1 ZINC000174244785 379849880 /nfs/dbraw/zinc/84/98/80/379849880.db2.gz QHQNAEOXZMMGSR-GFCCVEGCSA-N 0 1 293.330 2.583 20 30 CFEDMN C[C@@H]1CN(C)[C@@H](C)CN1C(=O)c1ccc(C(C)(C)C#N)cc1 ZINC000335782153 379878521 /nfs/dbraw/zinc/87/85/21/379878521.db2.gz YKBDVFWQVYHGDN-UONOGXRCSA-N 0 1 299.418 2.652 20 30 CFEDMN O[C@H]1CCN(CC#Cc2ccc(F)cc2)C2(CCC2)C1 ZINC000334966360 379948304 /nfs/dbraw/zinc/94/83/04/379948304.db2.gz JMGVMHDDWRIIJL-INIZCTEOSA-N 0 1 273.351 2.557 20 30 CFEDMN C=CCCCC(=O)NC[C@H](C)N1CCc2ccccc2C1 ZINC000175248225 380028898 /nfs/dbraw/zinc/02/88/98/380028898.db2.gz NSROSQVPUZLWHV-HNNXBMFYSA-N 0 1 286.419 2.906 20 30 CFEDMN N#Cc1cccc(C[N@@H+]2CC[C@@H](O)C23CCCC3)c1F ZINC000335885243 380051278 /nfs/dbraw/zinc/05/12/78/380051278.db2.gz JCDARXIZOBZZIU-CQSZACIVSA-N 0 1 274.339 2.577 20 30 CFEDMN C=CCCCN(C)C(=O)c1sccc1CN(C)C ZINC000268176672 190383532 /nfs/dbraw/zinc/38/35/32/190383532.db2.gz VVCURTMOEHHIRT-UHFFFAOYSA-N 0 1 266.410 2.848 20 30 CFEDMN N#Cc1csc(CN[C@H]2CCCC(F)(F)C2)n1 ZINC000336007007 380227067 /nfs/dbraw/zinc/22/70/67/380227067.db2.gz COEJGZAJQOJSBU-QMMMGPOBSA-N 0 1 257.309 2.682 20 30 CFEDMN COc1cccc(CNCc2cc(C#N)cs2)c1OC ZINC000177687340 380366971 /nfs/dbraw/zinc/36/69/71/380366971.db2.gz JICLNCXLWBKFLS-UHFFFAOYSA-N 0 1 288.372 2.927 20 30 CFEDMN Cc1nn(C)cc1[C@H](C)NCc1cc(C#N)cs1 ZINC000177696532 380369096 /nfs/dbraw/zinc/36/90/96/380369096.db2.gz WRWQRVYLLWMWSU-VIFPVBQESA-N 0 1 260.366 2.513 20 30 CFEDMN C#CC[C@H](N[C@@H]1CCCN(C(C)C)C1=O)c1ccccc1 ZINC000279086533 194278075 /nfs/dbraw/zinc/27/80/75/194278075.db2.gz MRPXCYCMQQTLNY-DLBZAZTESA-N 0 1 284.403 2.740 20 30 CFEDMN C=C[C@H]1CCCCN1CC(=O)N1CCc2sccc2C1 ZINC000336417415 380342082 /nfs/dbraw/zinc/34/20/82/380342082.db2.gz YHPPJBIVEMKCOR-AWEZNQCLSA-N 0 1 290.432 2.673 20 30 CFEDMN N#Cc1ccc([C@@H](O)CN(Cc2ccccn2)C2CC2)cc1 ZINC000177987317 380399877 /nfs/dbraw/zinc/39/98/77/380399877.db2.gz IQGKHTBNSYQKMX-SFHVURJKSA-N 0 1 293.370 2.651 20 30 CFEDMN C[C@@H]1CCCCN1CC(=O)N(CCC#N)c1ccccc1 ZINC000078822038 296310307 /nfs/dbraw/zinc/31/03/07/296310307.db2.gz YAVIXHBJBDVXGE-OAHLLOKOSA-N 0 1 285.391 2.808 20 30 CFEDMN Cc1oc(NC(=O)CN(CC(C)C)C2CC2)c(C#N)c1C ZINC000178702614 380478661 /nfs/dbraw/zinc/47/86/61/380478661.db2.gz PETQRUXFKVDSGU-UHFFFAOYSA-N 0 1 289.379 2.827 20 30 CFEDMN C=CCN[C@@H](CCO)c1ccccc1Br ZINC000336734588 380620839 /nfs/dbraw/zinc/62/08/39/380620839.db2.gz NJSKLWNPIIVYMM-LBPRGKRZSA-N 0 1 270.170 2.648 20 30 CFEDMN C[C@@H](NCc1cccnc1N(C)C)c1cccc(C#N)c1 ZINC000181494643 380807303 /nfs/dbraw/zinc/80/73/03/380807303.db2.gz TUKHPEDOMXAYDU-CYBMUJFWSA-N 0 1 280.375 2.870 20 30 CFEDMN N#Cc1cccc(CN[C@H](CCO)c2ccccc2)c1F ZINC000341203988 380830128 /nfs/dbraw/zinc/83/01/28/380830128.db2.gz DNMHHCCURCLRFC-MRXNPFEDSA-N 0 1 284.334 2.911 20 30 CFEDMN Cc1nsc(NC[C@@H]2CCCCN2C2CC2)c1C#N ZINC000287755663 380928572 /nfs/dbraw/zinc/92/85/72/380928572.db2.gz MXLHGDZYRQPYEQ-LBPRGKRZSA-N 0 1 276.409 2.752 20 30 CFEDMN COc1ccc2nc(SCC3(C#N)CC3)[nH]c2c1 ZINC000347016365 380882705 /nfs/dbraw/zinc/88/27/05/380882705.db2.gz CBIFTMGTSYKORP-UHFFFAOYSA-N 0 1 259.334 2.967 20 30 CFEDMN COC[C@@H]1CCCCN1Cc1ccc(C#N)c(F)c1 ZINC000404095997 380899257 /nfs/dbraw/zinc/89/92/57/380899257.db2.gz WBLOKMAWLQRHTK-AWEZNQCLSA-N 0 1 262.328 2.698 20 30 CFEDMN CC[C@@H](C)NC(=O)CCN[C@H](C)c1ccc(C#N)cc1F ZINC000358558782 380924689 /nfs/dbraw/zinc/92/46/89/380924689.db2.gz DDESQZATWXUAGU-VXGBXAGGSA-N 0 1 291.370 2.653 20 30 CFEDMN CC#CCCN1CCN(c2cccc(Cl)c2)CC1 ZINC000409445392 380959523 /nfs/dbraw/zinc/95/95/23/380959523.db2.gz IKVONHJCOBHIQA-UHFFFAOYSA-N 0 1 262.784 2.875 20 30 CFEDMN O=C(N[C@H]1CCCc2cn[nH]c21)C1CCC(=O)CC1 ZINC000330160620 296315332 /nfs/dbraw/zinc/31/53/32/296315332.db2.gz SEXJINUGGCQEHO-LBPRGKRZSA-N 0 1 261.325 2.503 20 30 CFEDMN C(#Cc1ccccc1)CN1CC[C@@H](OCc2ccncc2)C1 ZINC000287920290 380972755 /nfs/dbraw/zinc/97/27/55/380972755.db2.gz WCIGLDBITKOXDI-LJQANCHMSA-N 0 1 292.382 2.724 20 30 CFEDMN N#Cc1cc(F)ccc1NC(=O)c1ccc2cncn2c1 ZINC000341428955 381009581 /nfs/dbraw/zinc/00/95/81/381009581.db2.gz ZDKQDKYBTJLITP-UHFFFAOYSA-N 0 1 280.262 2.597 20 30 CFEDMN C=CCN(Cc1cccc(C#N)c1)[C@H](C)c1n[nH]c(C)n1 ZINC000411195975 381015299 /nfs/dbraw/zinc/01/52/99/381015299.db2.gz UFNUUXLZZZNMAJ-GFCCVEGCSA-N 0 1 281.363 2.734 20 30 CFEDMN COc1ccc2c(c1OC)CCN([C@@H](C)CCC#N)C2 ZINC000411423611 381025692 /nfs/dbraw/zinc/02/56/92/381025692.db2.gz MQTSYKITDOEEHC-LBPRGKRZSA-N 0 1 274.364 2.754 20 30 CFEDMN C[C@H](NCc1cnc2n1CCCC2)c1cccc(C#N)c1 ZINC000368501085 381047919 /nfs/dbraw/zinc/04/79/19/381047919.db2.gz ZTIPIUSBVZWIJD-ZDUSSCGKSA-N 0 1 280.375 2.942 20 30 CFEDMN CCC[C@@H](C)N1CCN(c2snc(C)c2C#N)CC1 ZINC000289568602 381048534 /nfs/dbraw/zinc/04/85/34/381048534.db2.gz VLQGEFDLPJQKLQ-LLVKDONJSA-N 0 1 278.425 2.634 20 30 CFEDMN C=CC[C@H](C(=O)N1C[C@@H](C)N(C)[C@H](C)C1)c1ccccc1 ZINC000358759065 381062686 /nfs/dbraw/zinc/06/26/86/381062686.db2.gz PWDUNPIGIJKSJF-INMHGKMJSA-N 0 1 286.419 2.897 20 30 CFEDMN CC(C)[C@@](C)(C#N)NC(=O)[C@@H](C)N1CC[C@@H](C)C(C)(C)C1 ZINC000354042427 381039545 /nfs/dbraw/zinc/03/95/45/381039545.db2.gz NDTNQAVKRBCBQB-CKEIUWERSA-N 0 1 293.455 2.797 20 30 CFEDMN N#CCCN(C[C@@H](O)CCc1ccccc1)CC1CC1 ZINC000182436819 381088399 /nfs/dbraw/zinc/08/83/99/381088399.db2.gz YUNBYZKALBCJST-KRWDZBQOSA-N 0 1 272.392 2.606 20 30 CFEDMN CCc1nc(CSc2ccc(C#N)cc2F)n[nH]1 ZINC000358779845 381078453 /nfs/dbraw/zinc/07/84/53/381078453.db2.gz LINBOIVBFZNPIM-UHFFFAOYSA-N 0 1 262.313 2.670 20 30 CFEDMN C=CCN(Cc1ccccc1)C(=O)c1cccc2nn[nH]c21 ZINC000182755108 381150252 /nfs/dbraw/zinc/15/02/52/381150252.db2.gz FMVQHCBKDIITJF-UHFFFAOYSA-N 0 1 292.342 2.786 20 30 CFEDMN C=C[C@H](CO)N[C@@H](C)c1ccc(Br)s1 ZINC000289815100 381171975 /nfs/dbraw/zinc/17/19/75/381171975.db2.gz LVKPCZUYDYRVSU-JGVFFNPUSA-N 0 1 276.199 2.708 20 30 CFEDMN CO[C@H]1CC[N@@H+](Cc2cc(C#N)ccc2F)CC1(C)C ZINC000295950539 381174988 /nfs/dbraw/zinc/17/49/88/381174988.db2.gz JGHFLQMYAJAJPX-HNNXBMFYSA-N 0 1 276.355 2.944 20 30 CFEDMN CO[C@H]1CCN(Cc2cc(C#N)ccc2F)CC1(C)C ZINC000295950539 381174995 /nfs/dbraw/zinc/17/49/95/381174995.db2.gz JGHFLQMYAJAJPX-HNNXBMFYSA-N 0 1 276.355 2.944 20 30 CFEDMN N#Cc1ccc(CN2CCCO[C@@H]3CCC[C@H]32)c(F)c1 ZINC000369455449 381262163 /nfs/dbraw/zinc/26/21/63/381262163.db2.gz BZOOTTXZUCPAGM-HZPDHXFCSA-N 0 1 274.339 2.841 20 30 CFEDMN N#Cc1c(CN2CCCO[C@H]3CCC[C@@H]32)cn2ccccc12 ZINC000369456041 381262423 /nfs/dbraw/zinc/26/24/23/381262423.db2.gz DWUAUCAUJHDVPJ-ROUUACIJSA-N 0 1 295.386 2.954 20 30 CFEDMN CO[C@H](C)CN(Cc1ccc(F)cc1C#N)C(C)C ZINC000354437704 381264855 /nfs/dbraw/zinc/26/48/55/381264855.db2.gz AKKCHKHMTWSAHA-GFCCVEGCSA-N 0 1 264.344 2.943 20 30 CFEDMN C=C[C@@H](CO)N[C@@H](C)c1ccccc1OC(F)(F)F ZINC000289939130 381224480 /nfs/dbraw/zinc/22/44/80/381224480.db2.gz VXFWITZXXHYPAY-UWVGGRQHSA-N 0 1 275.270 2.783 20 30 CFEDMN C=C[C@@H](CO)N[C@H](C)c1ccccc1OC(F)(F)F ZINC000289939133 381224736 /nfs/dbraw/zinc/22/47/36/381224736.db2.gz VXFWITZXXHYPAY-ZJUUUORDSA-N 0 1 275.270 2.783 20 30 CFEDMN Cc1cnn([C@@H]2CCN(Cc3ccc(F)c(C#N)c3)C2)c1 ZINC000289936515 381225184 /nfs/dbraw/zinc/22/51/84/381225184.db2.gz PKAHQSAMTYQMRQ-OAHLLOKOSA-N 0 1 284.338 2.649 20 30 CFEDMN C=C[C@H](CO)N[C@H](C)c1ccccc1OC(F)(F)F ZINC000289939129 381225231 /nfs/dbraw/zinc/22/52/31/381225231.db2.gz VXFWITZXXHYPAY-NXEZZACHSA-N 0 1 275.270 2.783 20 30 CFEDMN C=CCN(CCc1ccco1)Cc1c(C)cnn1C ZINC000289952175 381232385 /nfs/dbraw/zinc/23/23/85/381232385.db2.gz AXNGYNVOONLIFB-UHFFFAOYSA-N 0 1 259.353 2.552 20 30 CFEDMN COc1cc([C@H](C)NCc2ccc(C#N)cc2OC)ccn1 ZINC000347659441 381281897 /nfs/dbraw/zinc/28/18/97/381281897.db2.gz AMKOPLZHWREBRT-LBPRGKRZSA-N 0 1 297.358 2.821 20 30 CFEDMN CC(C)Oc1ccccc1C(=O)C(C#N)c1ccncn1 ZINC000354457222 381282870 /nfs/dbraw/zinc/28/28/70/381282870.db2.gz ADUHVINTAIYNOS-CYBMUJFWSA-N 0 1 281.315 2.754 20 30 CFEDMN Cc1ccc2nc(CNc3ncccc3C#N)[nH]c2c1 ZINC000342440765 381333803 /nfs/dbraw/zinc/33/38/03/381333803.db2.gz RTWTVSLVHFTXOT-UHFFFAOYSA-N 0 1 263.304 2.750 20 30 CFEDMN Cc1cc(C(=O)C(C#N)c2cnc3ccccc3n2)ccn1 ZINC000342388126 381309475 /nfs/dbraw/zinc/30/94/75/381309475.db2.gz NBSATBLRPGNNBU-ZDUSSCGKSA-N 0 1 288.310 2.823 20 30 CFEDMN C#CCOc1ccc([C@@H](C)NCc2n[nH]c(C3CC3)n2)cc1 ZINC000296479718 381413797 /nfs/dbraw/zinc/41/37/97/381413797.db2.gz OFDXJPTVSFLFGU-GFCCVEGCSA-N 0 1 296.374 2.545 20 30 CFEDMN C=C(C)C[C@H](C)C(=O)NCc1nc2ccc(F)cc2[nH]1 ZINC000184304098 381399806 /nfs/dbraw/zinc/39/98/06/381399806.db2.gz UVIPDTBBKVMKOC-JTQLQIEISA-N 0 1 275.327 2.921 20 30 CFEDMN C=C(C)C[C@@H](C)C(=O)NCCc1nc2ccc(F)cc2[nH]1 ZINC000184323873 381400885 /nfs/dbraw/zinc/40/08/85/381400885.db2.gz WXKGRBKIDYXPGL-LLVKDONJSA-N 0 1 289.354 2.963 20 30 CFEDMN C[C@H]1CN(Cc2ccc(CC#N)cc2)C[C@H](C2CC2)O1 ZINC000348250202 381475487 /nfs/dbraw/zinc/47/54/87/381475487.db2.gz XVSJOZPJCIVCGU-SUMWQHHRSA-N 0 1 270.376 2.752 20 30 CFEDMN CC(C)[C@](C)(C#N)NC(=O)CN1CC[C@]2(CC[C@@H](C)C2)C1 ZINC000359556543 381467829 /nfs/dbraw/zinc/46/78/29/381467829.db2.gz MDDNSRSBOFWOJS-PVAVHDDUSA-N 0 1 291.439 2.553 20 30 CFEDMN C[C@@H]1C[C@@H](Nc2c(F)cc(C#N)cc2F)CN1C1CC1 ZINC000290533470 381470276 /nfs/dbraw/zinc/47/02/76/381470276.db2.gz DLPYWMMYGRULHE-MWLCHTKSSA-N 0 1 277.318 2.874 20 30 CFEDMN C#CCN1CCC[C@H](c2nc3ccc(F)cc3o2)C1 ZINC000370944804 381520508 /nfs/dbraw/zinc/52/05/08/381520508.db2.gz NYBBRNDMRHXYCM-NSHDSACASA-N 0 1 258.296 2.780 20 30 CFEDMN CCN(CC)[C@H](C(=O)NCC(C)(C)C#N)c1ccccc1 ZINC000359631489 381522335 /nfs/dbraw/zinc/52/23/35/381522335.db2.gz CFBPGUVYJFLKNM-HNNXBMFYSA-N 0 1 287.407 2.735 20 30 CFEDMN CC(C)(C#N)CNC(=O)[C@@H]1CCCCN1Cc1ccccc1 ZINC000359644911 381530686 /nfs/dbraw/zinc/53/06/86/381530686.db2.gz FWYQAQASKFJBCN-INIZCTEOSA-N 0 1 299.418 2.707 20 30 CFEDMN CC(C)C[C@@H](CO)N(C)Cc1ccc(C#N)cc1F ZINC000185337716 381603145 /nfs/dbraw/zinc/60/31/45/381603145.db2.gz IKNBSEPPYPJBDK-AWEZNQCLSA-N 0 1 264.344 2.536 20 30 CFEDMN Cc1n[nH]cc1CN1CCC(Oc2ccc(C#N)cc2)CC1 ZINC000371421368 381622805 /nfs/dbraw/zinc/62/28/05/381622805.db2.gz RRNAUSLYFJMZPV-UHFFFAOYSA-N 0 1 296.374 2.633 20 30 CFEDMN Cc1csc(C(C#N)C(=O)c2ccc3c(c2)ncn3C)n1 ZINC000355149177 381644804 /nfs/dbraw/zinc/64/48/04/381644804.db2.gz PFNSUKRVTIWJJL-LLVKDONJSA-N 0 1 296.355 2.828 20 30 CFEDMN CCN(CC1(C#N)CC1)[C@H](COC)Cc1ccccc1 ZINC000343313245 381674113 /nfs/dbraw/zinc/67/41/13/381674113.db2.gz GMWZGPCJPHXFEG-INIZCTEOSA-N 0 1 272.392 2.870 20 30 CFEDMN C[C@@H](C#N)CN(CCCN(C[C@@H](C)C#N)C1CC1)C1CC1 ZINC000343296170 381673519 /nfs/dbraw/zinc/67/35/19/381673519.db2.gz DLCKPNVTMOGHMS-GJZGRUSLSA-N 0 1 288.439 2.625 20 30 CFEDMN CC#CCCCC(=O)Nc1ccc(F)c(-c2nc[nH]n2)c1 ZINC000298696653 381715312 /nfs/dbraw/zinc/71/53/12/381715312.db2.gz QRPJMKOQRXVIDE-UHFFFAOYSA-N 0 1 286.310 2.743 20 30 CFEDMN C#CCC(C)(C)C(=O)N[C@H]1C[C@H](C)[N@H+](Cc2ccccc2)C1 ZINC000185838181 381751134 /nfs/dbraw/zinc/75/11/34/381751134.db2.gz CYZZCIJYETWMKG-RDJZCZTQSA-N 0 1 298.430 2.815 20 30 CFEDMN C=C(C)[C@@H](NCCC(=O)OC)c1ccc(F)c(F)c1 ZINC000298712643 381720975 /nfs/dbraw/zinc/72/09/75/381720975.db2.gz AMDKMPCNYCACGO-CQSZACIVSA-N 0 1 269.291 2.735 20 30 CFEDMN CC(C)n1ccc(C(=O)C(C#N)c2nc3ccccc3[nH]2)n1 ZINC000355634183 381790024 /nfs/dbraw/zinc/79/00/24/381790024.db2.gz BJUOBRJWWVJDJT-LLVKDONJSA-N 0 1 293.330 2.830 20 30 CFEDMN COc1ccc([N+](=O)[O-])cc1CN[C@H]1CCC[C@H](C#N)C1 ZINC000185897132 381772003 /nfs/dbraw/zinc/77/20/03/381772003.db2.gz ZAZVPKDYAGKGAF-AAEUAGOBSA-N 0 1 289.335 2.775 20 30 CFEDMN C#CC[C@@H](C)NC(=O)[C@H]1CCCCN1Cc1ccccc1 ZINC000360463966 381780935 /nfs/dbraw/zinc/78/09/35/381780935.db2.gz ALWCYKXVSPWKOJ-NVXWUHKLSA-N 0 1 284.403 2.569 20 30 CFEDMN C=CCC[C@@H](O)CN1CCO[C@H](CCc2ccccc2)C1 ZINC000186097506 381822896 /nfs/dbraw/zinc/82/28/96/381822896.db2.gz XEPCTXWOKJCFKD-QZTJIDSGSA-N 0 1 289.419 2.647 20 30 CFEDMN C#CC[C@H](NCC(=O)NCCCCC)c1ccccc1 ZINC000299037238 381804934 /nfs/dbraw/zinc/80/49/34/381804934.db2.gz RQKNUIPBICQFCC-INIZCTEOSA-N 0 1 272.392 2.647 20 30 CFEDMN CC1=C(C)CN([C@H](C)C(=O)NC2(C#N)CCCCC2)CC1 ZINC000361621015 381851088 /nfs/dbraw/zinc/85/10/88/381851088.db2.gz TUIYBAWILVQFGN-OAHLLOKOSA-N 0 1 289.423 2.760 20 30 CFEDMN Cc1csc(C(C#N)C(=O)c2ccnn2C(C)C)n1 ZINC000361661850 381855295 /nfs/dbraw/zinc/85/52/95/381855295.db2.gz HJPSSUWQGWSKGU-JTQLQIEISA-N 0 1 274.349 2.719 20 30 CFEDMN C=CCOCCN(C)[C@@H](C)c1ccc([S@](C)=O)cc1 ZINC000292923913 381904701 /nfs/dbraw/zinc/90/47/01/381904701.db2.gz YGMOZCNVVQGPMH-DJJJIMSYSA-N 0 1 281.421 2.619 20 30 CFEDMN COc1cc(CN(C)Cc2ccc(O)cc2)ccc1C#N ZINC000349365674 381910570 /nfs/dbraw/zinc/91/05/70/381910570.db2.gz ISTJKEGBLKSXFZ-UHFFFAOYSA-N 0 1 282.343 2.904 20 30 CFEDMN N#CCc1ccc(CN[C@H](CO)c2cccc(F)c2)cc1 ZINC000343691666 381891768 /nfs/dbraw/zinc/89/17/68/381891768.db2.gz NYTJVISHMQTQMK-QGZVFWFLSA-N 0 1 284.334 2.715 20 30 CFEDMN C=CCC(C)(C)CNC(=O)N[C@H](C)Cc1cc(C)[nH]n1 ZINC000293058129 381970359 /nfs/dbraw/zinc/97/03/59/381970359.db2.gz MWDAVIKHFOYCAY-LLVKDONJSA-N 0 1 278.400 2.551 20 30 CFEDMN N#Cc1ccc(-c2nc(-c3ccc4[nH]cnc4c3)no2)cn1 ZINC000356970903 381933708 /nfs/dbraw/zinc/93/37/08/381933708.db2.gz FGNMTXIDHTZYKI-UHFFFAOYSA-N 0 1 288.270 2.547 20 30 CFEDMN C[C@@H](NCc1cnn(CC(F)F)c1)c1ccc(C#N)cc1 ZINC000292995509 381941240 /nfs/dbraw/zinc/94/12/40/381941240.db2.gz NIKCBIFWGCLXQS-LLVKDONJSA-N 0 1 290.317 2.871 20 30 CFEDMN Cc1nc([C@@H](C)Nc2ncc(Cl)c(C)c2C#N)n[nH]1 ZINC000343905741 382012716 /nfs/dbraw/zinc/01/27/16/382012716.db2.gz BXADBCSZVGAKGN-SSDOTTSWSA-N 0 1 276.731 2.515 20 30 CFEDMN C=C(C)CN(CC)C(=O)[C@H](C)N1CCS[C@@H](C(C)C)C1 ZINC000362385123 382041385 /nfs/dbraw/zinc/04/13/85/382041385.db2.gz SFZIVKVAJMDNGE-LSDHHAIUSA-N 0 1 298.496 2.873 20 30 CFEDMN N#Cc1cccc([C@H]2CN(Cc3ccccc3O)CCO2)c1 ZINC000374895925 382060421 /nfs/dbraw/zinc/06/04/21/382060421.db2.gz NPHOMYYGVPSTJQ-GOSISDBHSA-N 0 1 294.354 2.837 20 30 CFEDMN C=C(C)CCN(C)CC(=O)Nc1cccc(F)c1 ZINC000351842876 382065940 /nfs/dbraw/zinc/06/59/40/382065940.db2.gz APHGPQWZFWRVFD-UHFFFAOYSA-N 0 1 250.317 2.662 20 30 CFEDMN C=C(C)CN(C)CC(=O)N[C@H](C)c1ccc(F)cc1 ZINC000351067496 382023102 /nfs/dbraw/zinc/02/31/02/382023102.db2.gz VWILJTHHFFTXPF-GFCCVEGCSA-N 0 1 264.344 2.511 20 30 CFEDMN C=C(C)CN(CC)C(=O)[C@@H](C)N1CCS[C@@H](C(C)C)C1 ZINC000362385122 382039670 /nfs/dbraw/zinc/03/96/70/382039670.db2.gz SFZIVKVAJMDNGE-HUUCEWRRSA-N 0 1 298.496 2.873 20 30 CFEDMN CSc1cc(CNCc2cccc(C#N)c2)ccn1 ZINC000357341029 382119603 /nfs/dbraw/zinc/11/96/03/382119603.db2.gz BXSFOYSRNHBBSJ-UHFFFAOYSA-N 0 1 269.373 2.965 20 30 CFEDMN CC(C)(C#N)CCCCN1CCO[C@H]([C@@H]2CCCO2)C1 ZINC000375402464 382083817 /nfs/dbraw/zinc/08/38/17/382083817.db2.gz HRTYWPYBGDSMHP-GJZGRUSLSA-N 0 1 280.412 2.586 20 30 CFEDMN C=CCOCCN(Cc1ccccc1OC)C1CC1 ZINC000293491317 382143773 /nfs/dbraw/zinc/14/37/73/382143773.db2.gz MZYZCNJFZHEHHR-UHFFFAOYSA-N 0 1 261.365 2.862 20 30 CFEDMN CN1CC[C@@H](Nc2ncccc2C#N)[C@H]1c1ccc(F)cc1 ZINC000301853863 382197038 /nfs/dbraw/zinc/19/70/38/382197038.db2.gz QKFFPDWWJXTVFD-HZPDHXFCSA-N 0 1 296.349 2.950 20 30 CFEDMN CC[C@@]1(CO)CCCN(Cc2ccc(C#N)cc2OC)C1 ZINC000187545500 382207492 /nfs/dbraw/zinc/20/74/92/382207492.db2.gz JAAIFRRBUIYOSO-QGZVFWFLSA-N 0 1 288.391 2.551 20 30 CFEDMN CCC[C@@]1(CO)CCN(Cc2cccc(C#N)c2F)C1 ZINC000344230752 382215868 /nfs/dbraw/zinc/21/58/68/382215868.db2.gz DZBAYJYXEFNTHE-MRXNPFEDSA-N 0 1 276.355 2.682 20 30 CFEDMN N#Cc1csc(CNc2nccn2-c2ccccc2)n1 ZINC000357702454 382286477 /nfs/dbraw/zinc/28/64/77/382286477.db2.gz JGQXFPVPTOEMBF-UHFFFAOYSA-N 0 1 281.344 2.813 20 30 CFEDMN N#Cc1cnc(CN[C@@H]2CCC[C@H]2c2ccccc2)nc1 ZINC000419261592 382262867 /nfs/dbraw/zinc/26/28/67/382262867.db2.gz UDELWIUKBVKOAU-JKSUJKDBSA-N 0 1 278.359 2.774 20 30 CFEDMN C=CCOCCCC(=O)Nc1nc2ccc(C)cc2[nH]1 ZINC000344479042 382265672 /nfs/dbraw/zinc/26/56/72/382265672.db2.gz CRCDOVYDTRVUIT-UHFFFAOYSA-N 0 1 273.336 2.793 20 30 CFEDMN COC[C@H]1CCCCN(Cc2ccc(F)cc2C#N)C1 ZINC000364153485 382274507 /nfs/dbraw/zinc/27/45/07/382274507.db2.gz NIPQMWVYDNGBCG-ZDUSSCGKSA-N 0 1 276.355 2.946 20 30 CFEDMN COCCCCN(C)Cc1ccc(F)cc1C#N ZINC000419390008 382311197 /nfs/dbraw/zinc/31/11/97/382311197.db2.gz UKNNUJBJDAKSMB-UHFFFAOYSA-N 0 1 250.317 2.556 20 30 CFEDMN CCN(Cc1ccccc1C)[C@@H](C)C(=O)NC1(C#N)CCC1 ZINC000345863509 382318400 /nfs/dbraw/zinc/31/84/00/382318400.db2.gz QVCNUHCAXXYMDL-HNNXBMFYSA-N 0 1 299.418 2.768 20 30 CFEDMN C[C@H]1CC[C@@](CO)(N(C)Cc2cc(F)ccc2C#N)C1 ZINC000188025979 382327416 /nfs/dbraw/zinc/32/74/16/382327416.db2.gz QWYKUSPBIKBMRH-BLLLJJGKSA-N 0 1 276.355 2.680 20 30 CFEDMN CC(C)(CCC#N)CNC(=O)c1n[nH]c2ccccc21 ZINC000346015555 382328157 /nfs/dbraw/zinc/32/81/57/382328157.db2.gz RSPFSFBADBPTSU-UHFFFAOYSA-N 0 1 270.336 2.623 20 30 CFEDMN CO[C@H](CN1CCC(F)(C#N)CC1)c1ccccc1 ZINC000352456835 382342912 /nfs/dbraw/zinc/34/29/12/382342912.db2.gz BATNCCQSDMJXFV-CQSZACIVSA-N 0 1 262.328 2.702 20 30 CFEDMN CCC[C@@]1(CO)CCN(Cc2ccc(C#N)c(F)c2)C1 ZINC000377602247 382300475 /nfs/dbraw/zinc/30/04/75/382300475.db2.gz CHDCBTFCWLJRII-MRXNPFEDSA-N 0 1 276.355 2.682 20 30 CFEDMN CCn1cc(C(=O)[C@H](C#N)c2nc3cccc(C)c3[nH]2)cn1 ZINC000345380603 382301168 /nfs/dbraw/zinc/30/11/68/382301168.db2.gz RRQJAXPUVGPFPS-LBPRGKRZSA-N 0 1 293.330 2.578 20 30 CFEDMN N#Cc1ccc(CN[C@@H]2CC[N@H+](C3CCCC3)C2)s1 ZINC000377995560 382381522 /nfs/dbraw/zinc/38/15/22/382381522.db2.gz GZNFVOVBFPGUGG-GFCCVEGCSA-N 0 1 275.421 2.726 20 30 CFEDMN C=C[C@H](CO)NCc1cnc(-c2ccsc2)s1 ZINC000352465173 382347861 /nfs/dbraw/zinc/34/78/61/382347861.db2.gz FGJZOCCMLQRZGP-SNVBAGLBSA-N 0 1 266.391 2.508 20 30 CFEDMN C=CCC[C@@H](O)CN1CCO[C@@](C)(c2ccccc2)C1 ZINC000305095302 382422862 /nfs/dbraw/zinc/42/28/62/382422862.db2.gz RVHPEKBNNJTARD-IAGOWNOFSA-N 0 1 275.392 2.561 20 30 CFEDMN N#Cc1ccc([C@@H](O)CN2CCC[C@H]2c2nccs2)cc1 ZINC000378145595 382406930 /nfs/dbraw/zinc/40/69/30/382406930.db2.gz SYHGCYZOWJTYOU-GJZGRUSLSA-N 0 1 299.399 2.885 20 30 CFEDMN C=CC[C@H](C(=O)N1CCN(CC2CC2)CC1)c1ccccc1 ZINC000188456746 382418974 /nfs/dbraw/zinc/41/89/74/382418974.db2.gz ANRICSQSGAJFNK-SFHVURJKSA-N 0 1 298.430 2.901 20 30 CFEDMN N#C[C@@H](c1ccccc1)[C@H]1CCCN1C[C@H]1C[C@@H](O)C1 ZINC000420911369 382495351 /nfs/dbraw/zinc/49/53/51/382495351.db2.gz GIKDFEVGVRRZMP-PQEBFOHHSA-N 0 1 270.376 2.529 20 30 CFEDMN COC[C@@]1(C)CC[N@@H+](Cc2ccc(C#N)cc2F)C1 ZINC000294239914 382473368 /nfs/dbraw/zinc/47/33/68/382473368.db2.gz PCPNTUPCFSBEAF-HNNXBMFYSA-N 0 1 262.328 2.556 20 30 CFEDMN COC[C@@]1(C)CCN(Cc2ccc(C#N)cc2F)C1 ZINC000294239914 382473370 /nfs/dbraw/zinc/47/33/70/382473370.db2.gz PCPNTUPCFSBEAF-HNNXBMFYSA-N 0 1 262.328 2.556 20 30 CFEDMN N#Cc1cccc(NC(=O)CN2CCC3(CCC3)CC2)c1 ZINC000308742508 382486694 /nfs/dbraw/zinc/48/66/94/382486694.db2.gz KSCTVWBBLFLJCH-UHFFFAOYSA-N 0 1 283.375 2.763 20 30 CFEDMN CCC(C#N)(CC)C(=O)N[C@@H]1CCN(Cc2ccccc2)C1 ZINC000309830467 382490250 /nfs/dbraw/zinc/49/02/50/382490250.db2.gz RZVYCTXHFKRXPE-MRXNPFEDSA-N 0 1 299.418 2.707 20 30 CFEDMN C=CCCC[C@@H](C)NC(=O)NCCN1CC=C(C)CC1 ZINC000358183403 382492337 /nfs/dbraw/zinc/49/23/37/382492337.db2.gz FRQQYQUKFIKTKC-OAHLLOKOSA-N 0 1 279.428 2.682 20 30 CFEDMN C(#Cc1ccccc1)CN1CCOC[C@H](C2CCC2)C1 ZINC000366424193 382509990 /nfs/dbraw/zinc/50/99/90/382509990.db2.gz YCSZPIFKOPDTOR-GOSISDBHSA-N 0 1 269.388 2.787 20 30 CFEDMN C=CCN1CC[C@H]([N@@H+](C)C2CC(c3ccccc3)C2)C1=O ZINC000366898636 382554077 /nfs/dbraw/zinc/55/40/77/382554077.db2.gz XTJJBTFQIOQVRA-JCYILVPMSA-N 0 1 284.403 2.651 20 30 CFEDMN Cc1n[nH]c(CCNC(=O)[C@H](C)CC2CCCC2)n1 ZINC000328669781 382562038 /nfs/dbraw/zinc/56/20/38/382562038.db2.gz FLHOGWLMJOCRED-SNVBAGLBSA-N 0 1 264.373 2.829 20 30 CFEDMN C[C@@H]1CN(c2snc(Cl)c2C#N)CCN(C2CC2)C1 ZINC000295051014 382567583 /nfs/dbraw/zinc/56/75/83/382567583.db2.gz XZNOYBYVIZGBJB-VIFPVBQESA-N 0 1 296.827 2.589 20 30 CFEDMN CO[C@H]1CN(Cc2ccc(C#N)cc2F)CC[C@H]1C ZINC000189341636 382595440 /nfs/dbraw/zinc/59/54/40/382595440.db2.gz BFGYVRWFWWCIHS-ABAIWWIYSA-N 0 1 262.328 2.554 20 30 CFEDMN Cc1cc([C@H](C)NCc2cc(C#N)n(C)c2)c(C)o1 ZINC000189591212 382628281 /nfs/dbraw/zinc/62/82/81/382628281.db2.gz HJDYDDLTTBGUPL-NSHDSACASA-N 0 1 257.337 2.957 20 30 CFEDMN C=CC(C)(C)CNC(=O)c1ccc(O)c(Cl)c1 ZINC000395364513 382630329 /nfs/dbraw/zinc/63/03/29/382630329.db2.gz KKCQVHRVMRYYFJ-UHFFFAOYSA-N 0 1 253.729 2.988 20 30 CFEDMN C=CCOc1ccccc1CNCc1cc(C#N)n(C)c1 ZINC000190996280 382687752 /nfs/dbraw/zinc/68/77/52/382687752.db2.gz GPKBEOQPVSPGGX-UHFFFAOYSA-N 0 1 281.359 2.751 20 30 CFEDMN CCCCCNC(=O)[C@@H](C)N1CCC(CCC#N)CC1 ZINC000399297115 382638045 /nfs/dbraw/zinc/63/80/45/382638045.db2.gz KTKSLDJXHFDKCY-CQSZACIVSA-N 0 1 279.428 2.697 20 30 CFEDMN C=CCN(CCOC)Cc1cc(Cl)c(OC)c(OC)c1 ZINC000191759947 382702331 /nfs/dbraw/zinc/70/23/31/382702331.db2.gz VTEXTCHLFBDUCD-UHFFFAOYSA-N 0 1 299.798 2.992 20 30 CFEDMN C=CCc1cc(CN(CC=C)CCOC)cc(OC)c1O ZINC000191760237 382702425 /nfs/dbraw/zinc/70/24/25/382702425.db2.gz XWCREQUIFZWNKK-UHFFFAOYSA-N 0 1 291.391 2.764 20 30 CFEDMN C=CCCC(=O)Nc1[nH]c(CCCC)nc1C(=O)OCC ZINC000191962258 382703794 /nfs/dbraw/zinc/70/37/94/382703794.db2.gz PAYAJPMFQGUROA-UHFFFAOYSA-N 0 1 293.367 2.834 20 30 CFEDMN COC[C@@H](NCCCC#N)c1ccc(Cl)cc1 ZINC000193665171 382722241 /nfs/dbraw/zinc/72/22/41/382722241.db2.gz HJSLEYYGCKYSJU-CYBMUJFWSA-N 0 1 252.745 2.921 20 30 CFEDMN C=CCN1CC[C@@H](N(Cc2ccccc2C)C2CC2)C1=O ZINC000337127481 382764415 /nfs/dbraw/zinc/76/44/15/382764415.db2.gz GWUKSWUMMKERRW-QGZVFWFLSA-N 0 1 284.403 2.746 20 30 CFEDMN C=C(C)COCCNCc1nc(-c2ccccc2)c[nH]1 ZINC000194370900 382742390 /nfs/dbraw/zinc/74/23/90/382742390.db2.gz KRSPJQGQKHYZIZ-UHFFFAOYSA-N 0 1 271.364 2.759 20 30 CFEDMN C=CCN(Cc1cccs1)C(=O)c1cnc(C)[nH]1 ZINC000336940895 382744251 /nfs/dbraw/zinc/74/42/51/382744251.db2.gz HWJAYBNHQBQKOQ-UHFFFAOYSA-N 0 1 261.350 2.608 20 30 CFEDMN CCC[C@H](C)N1C[C@@H](C#N)[C@]2(C1)c1ccccc1NC2=O ZINC000337316242 382800201 /nfs/dbraw/zinc/80/02/01/382800201.db2.gz KKIBMRMWKJIAOS-OGHNNQOOSA-N 0 1 283.375 2.520 20 30 CFEDMN N#CC1(CN[C@@]2(Cc3ccc(Cl)cc3)CCOC2)CC1 ZINC000337442495 382821986 /nfs/dbraw/zinc/82/19/86/382821986.db2.gz YVYDLJDMYOBULI-MRXNPFEDSA-N 0 1 290.794 2.935 20 30 CFEDMN CN(CCCCCO)Cc1ccc(C#N)cc1Cl ZINC000227063140 382832679 /nfs/dbraw/zinc/83/26/79/382832679.db2.gz HYWRMOWPNHIJDF-UHFFFAOYSA-N 0 1 266.772 2.806 20 30 CFEDMN N#Cc1ccc(CN2CCC(C3CCOCC3)CC2)nc1 ZINC000576765519 382835858 /nfs/dbraw/zinc/83/58/58/382835858.db2.gz KBXWDFLIHFJWOG-UHFFFAOYSA-N 0 1 285.391 2.592 20 30 CFEDMN N#Cc1ccc(CN2CC[C@H](Nc3ccccc3)C2)nc1 ZINC000576893591 382840127 /nfs/dbraw/zinc/84/01/27/382840127.db2.gz VPZZIYDBOYCBJU-KRWDZBQOSA-N 0 1 278.359 2.640 20 30 CFEDMN N#Cc1ccc([C@H](O)C[N@H+]2CCC[C@@H](C(F)(F)F)C2)cc1 ZINC000227817763 382840978 /nfs/dbraw/zinc/84/09/78/382840978.db2.gz ZHDHHKKSXDYNST-ZIAGYGMSSA-N 0 1 298.308 2.866 20 30 CFEDMN N#Cc1ccc([C@H](O)CN2CCC[C@@H](C(F)(F)F)C2)cc1 ZINC000227817763 382840980 /nfs/dbraw/zinc/84/09/80/382840980.db2.gz ZHDHHKKSXDYNST-ZIAGYGMSSA-N 0 1 298.308 2.866 20 30 CFEDMN Cc1cnccc1CN(C)CCOCc1ccc(C#N)cc1 ZINC000577261111 382853478 /nfs/dbraw/zinc/85/34/78/382853478.db2.gz QQFPDUJAWGMLIS-UHFFFAOYSA-N 0 1 295.386 2.910 20 30 CFEDMN CO[C@@]1(C)CCCN(Cc2ccc(C#N)cc2F)C1 ZINC000230265374 382858307 /nfs/dbraw/zinc/85/83/07/382858307.db2.gz KXFLPPFIJJUFCV-HNNXBMFYSA-N 0 1 262.328 2.698 20 30 CFEDMN CCCCN(C)Cc1cccc(C(=O)OC)c1C#N ZINC000533778664 382910506 /nfs/dbraw/zinc/91/05/06/382910506.db2.gz WQZXJZCBDHIBMJ-UHFFFAOYSA-N 0 1 260.337 2.577 20 30 CFEDMN COc1cncc(/C=C/CCN(C)[C@H](C)CC#N)c1 ZINC000578128912 382893604 /nfs/dbraw/zinc/89/36/04/382893604.db2.gz IFIAWOLXRRDTQH-DIECRNLCSA-N 0 1 259.353 2.727 20 30 CFEDMN CC(C)(C)OC(=O)CN(CCCCC#N)C1CCOCC1 ZINC000578632073 382938844 /nfs/dbraw/zinc/93/88/44/382938844.db2.gz JYZJUQYVHWPLLV-UHFFFAOYSA-N 0 1 296.411 2.503 20 30 CFEDMN Cc1cc(NC(=O)c2ccc(C#N)c(O)c2)cc2n[nH]cc21 ZINC000442669669 382942389 /nfs/dbraw/zinc/94/23/89/382942389.db2.gz HEGPEKPRQUHRLJ-UHFFFAOYSA-N 0 1 292.298 2.701 20 30 CFEDMN CC#CCCCC(=O)Nc1cccc(-c2cn[nH]n2)c1 ZINC000442685008 382944537 /nfs/dbraw/zinc/94/45/37/382944537.db2.gz ZYGHUBFZMNMSJW-UHFFFAOYSA-N 0 1 268.320 2.604 20 30 CFEDMN N#Cc1ccc(C(=O)Nc2scnc2C2CC2)cc1O ZINC000442673269 382944871 /nfs/dbraw/zinc/94/48/71/382944871.db2.gz SVUKJANVYZNARY-UHFFFAOYSA-N 0 1 285.328 2.850 20 30 CFEDMN N#C[C@@H]1CC[C@H](NCC(=O)Nc2ccc(Cl)cc2)C1 ZINC000442781767 382955613 /nfs/dbraw/zinc/95/56/13/382955613.db2.gz QAOGOHFKOQSNJB-MFKMUULPSA-N 0 1 277.755 2.560 20 30 CFEDMN COc1ccc(-n2ccc(CN[C@@H]3CC[C@@H](C#N)C3)n2)cc1 ZINC000442798984 382957879 /nfs/dbraw/zinc/95/78/79/382957879.db2.gz XPTAXTBXKJMQIX-ZIAGYGMSSA-N 0 1 296.374 2.663 20 30 CFEDMN CCN(C[C@H](C)C#N)C[C@@H]1CCN(C(=O)c2ccccc2)C1 ZINC000338238084 382959704 /nfs/dbraw/zinc/95/97/04/382959704.db2.gz XYJNSUFFUGRHDL-CVEARBPZSA-N 0 1 299.418 2.630 20 30 CFEDMN COc1c(O)cccc1-c1nc2ccc(C#N)cc2[nH]1 ZINC000338236469 382960140 /nfs/dbraw/zinc/96/01/40/382960140.db2.gz ICGFZFIWYXRAKD-UHFFFAOYSA-N 0 1 265.272 2.816 20 30 CFEDMN CCC[C@H](C#N)NC(=O)c1cccc(Br)c1O ZINC000538741398 382960399 /nfs/dbraw/zinc/96/03/99/382960399.db2.gz XIMURWBMKZOJBM-MRVPVSSYSA-N 0 1 297.152 2.577 20 30 CFEDMN CC[C@@]1(C)CCN(Cc2cccc(C(=O)OC)c2C#N)C1 ZINC000534472272 382931592 /nfs/dbraw/zinc/93/15/92/382931592.db2.gz KWQAWVQQZTWELX-KRWDZBQOSA-N 0 1 286.375 2.967 20 30 CFEDMN Cc1cc(C)cc(CN(C)[C@@H](C)C(=O)NC2(C#N)CCC2)c1 ZINC000444694370 382978496 /nfs/dbraw/zinc/97/84/96/382978496.db2.gz JOBLZQFMYOFEJL-HNNXBMFYSA-N 0 1 299.418 2.686 20 30 CFEDMN N#CC1(CSc2nc(-c3ccccc3O)n[nH]2)CC1 ZINC000446058406 382987135 /nfs/dbraw/zinc/98/71/35/382987135.db2.gz FGMMPYIDVXHQCT-UHFFFAOYSA-N 0 1 272.333 2.573 20 30 CFEDMN CC(C)(C)OC(=O)N1CCCN([C@@H]2CC[C@@H](C#N)C2)CC1 ZINC000495593494 382999358 /nfs/dbraw/zinc/99/93/58/382999358.db2.gz KNJUBIBDBIVSGW-ZIAGYGMSSA-N 0 1 293.411 2.621 20 30 CFEDMN C=C(C)CN(CC)C(=O)CN1CCS[C@@H]2CCCC[C@H]21 ZINC000246083299 383061938 /nfs/dbraw/zinc/06/19/38/383061938.db2.gz FRLMUOUOXWBYJZ-HUUCEWRRSA-N 0 1 296.480 2.771 20 30 CFEDMN CN(CCCN(C)c1ccccc1)CC(C)(C)C#N ZINC000579952124 383068898 /nfs/dbraw/zinc/06/88/98/383068898.db2.gz PZPBIWREELPCRV-UHFFFAOYSA-N 0 1 259.397 2.994 20 30 CFEDMN CS[C@@H]1CCCCN(C[C@@H](C#N)CCC#N)C1 ZINC000246957173 383125830 /nfs/dbraw/zinc/12/58/30/383125830.db2.gz UVIKWSGIGGUHHP-CHWSQXEVSA-N 0 1 251.399 2.647 20 30 CFEDMN COCCN(CCC#N)C[C@H]1C(C)=CCC[C@H]1C ZINC000615504217 383139754 /nfs/dbraw/zinc/13/97/54/383139754.db2.gz UAUYXIAVALCRJZ-CABCVRRESA-N 0 1 250.386 2.841 20 30 CFEDMN C[C@H]1CC[C@@H](NCC2(C#N)CC2)CN1C(=O)OC(C)(C)C ZINC000496428834 383100554 /nfs/dbraw/zinc/10/05/54/383100554.db2.gz GWENXMKSEJXWNK-QWHCGFSZSA-N 0 1 293.411 2.668 20 30 CFEDMN N#Cc1ccc(CN2CC[C@@H]3OCCC[C@H]3C2)c(F)c1 ZINC000246812643 383107480 /nfs/dbraw/zinc/10/74/80/383107480.db2.gz RXPFUUVQJQEKEH-HOCLYGCPSA-N 0 1 274.339 2.698 20 30 CFEDMN COC(=O)c1cccc(CN(C)[C@@H]2CC[C@H](C)C2)c1C#N ZINC000584506375 383108544 /nfs/dbraw/zinc/10/85/44/383108544.db2.gz YATTWKFWEIHKHJ-GXTWGEPZSA-N 0 1 286.375 2.965 20 30 CFEDMN C[C@@H](CCC#N)N1CCCN(C(=O)OC(C)(C)C)CC1 ZINC000496541044 383113506 /nfs/dbraw/zinc/11/35/06/383113506.db2.gz YBRKPNKTEUJQMW-ZDUSSCGKSA-N 0 1 281.400 2.621 20 30 CFEDMN C=CCCCC[C@H](C)NCc1nnnn1-c1ccccc1 ZINC000449103130 383175463 /nfs/dbraw/zinc/17/54/63/383175463.db2.gz OTGWRKAYBRWARO-AWEZNQCLSA-N 0 1 285.395 2.887 20 30 CFEDMN C=CCCC[N@H+](C)[C@@H](C(=O)[O-])c1cc(OC)cc(OC)c1 ZINC000565103835 383175554 /nfs/dbraw/zinc/17/55/54/383175554.db2.gz BLEKTMGTZBCZEK-OAHLLOKOSA-N 0 1 293.363 2.728 20 30 CFEDMN N#CC(C(=O)c1ocnc1C1CC1)c1nc2ccccc2[nH]1 ZINC000565268644 383177840 /nfs/dbraw/zinc/17/78/40/383177840.db2.gz DLBXNAIZZZLBNF-JTQLQIEISA-N 0 1 292.298 2.918 20 30 CFEDMN COC(=O)c1cc(CN2CCC(CCC#N)CC2)oc1C ZINC000565713438 383181221 /nfs/dbraw/zinc/18/12/21/383181221.db2.gz FEIGJYRJMSVANT-UHFFFAOYSA-N 0 1 290.363 2.890 20 30 CFEDMN C=CCCCC[N@H+](C)[C@H](Cc1ccccc1)C(=O)[O-] ZINC000565957405 383182584 /nfs/dbraw/zinc/18/25/84/383182584.db2.gz OGKVQJMRIOJLDD-OAHLLOKOSA-N 0 1 261.365 2.970 20 30 CFEDMN Cc1csc(C(C#N)C(=O)c2ccnn2CC(C)C)n1 ZINC000566214550 383185324 /nfs/dbraw/zinc/18/53/24/383185324.db2.gz RECPQUVEMLBLAG-LLVKDONJSA-N 0 1 288.376 2.794 20 30 CFEDMN CSC[C@@H]1CCCN1Cc1ccc(C#N)cc1[N+](=O)[O-] ZINC000517573103 383185442 /nfs/dbraw/zinc/18/54/42/383185442.db2.gz WMIWZFCQAVAWHU-ZDUSSCGKSA-N 0 1 291.376 2.794 20 30 CFEDMN C=CCOCCN1CCN(c2cc(Cl)ccc2C)CC1 ZINC000555300525 383148280 /nfs/dbraw/zinc/14/82/80/383148280.db2.gz HLSSSFSKJSDFJK-UHFFFAOYSA-N 0 1 294.826 2.973 20 30 CFEDMN C=CCCCCCNC(=O)N1CCN(C2CCC2)CC1 ZINC000514610863 383155003 /nfs/dbraw/zinc/15/50/03/383155003.db2.gz BUIRCTCRJGFVFO-UHFFFAOYSA-N 0 1 279.428 2.613 20 30 CFEDMN C=CC[N@H+](Cc1ccc(OC)cc1)CC1(CC(=O)[O-])CC1 ZINC000515489279 383160021 /nfs/dbraw/zinc/16/00/21/383160021.db2.gz AWEOQWQYIDCNIN-UHFFFAOYSA-N 0 1 289.375 2.938 20 30 CFEDMN Cc1ccc(F)c(CCNC[C@@H](C#N)CCC#N)c1 ZINC000563799480 383167718 /nfs/dbraw/zinc/16/77/18/383167718.db2.gz OFBKWVJOTXTDIO-CYBMUJFWSA-N 0 1 259.328 2.710 20 30 CFEDMN C=C(C)CN(CC)CC(=O)NCc1ccc(C)c(F)c1 ZINC000248152916 383215863 /nfs/dbraw/zinc/21/58/63/383215863.db2.gz AMYAGIKKLKQQQX-UHFFFAOYSA-N 0 1 278.371 2.648 20 30 CFEDMN C[C@H](C(=O)Nc1ccccc1C#N)N1CC[C@@H](C)[C@@H]1C ZINC000248345643 383227324 /nfs/dbraw/zinc/22/73/24/383227324.db2.gz MZWMZYJYMHWQKH-FRRDWIJNSA-N 0 1 271.364 2.616 20 30 CFEDMN CC(C)c1nc(CNC[C@@H](C)C#N)c2ccccn21 ZINC000567477368 383279900 /nfs/dbraw/zinc/27/99/00/383279900.db2.gz OGVZCZPXUZOEHH-LBPRGKRZSA-N 0 1 256.353 2.707 20 30 CFEDMN N#Cc1csc(CNC[C@H]2CSc3ccccc32)n1 ZINC000449356290 383235761 /nfs/dbraw/zinc/23/57/61/383235761.db2.gz BRKIWECXLMFEBY-JTQLQIEISA-N 0 1 287.413 2.994 20 30 CFEDMN C[C@H]1CSCCN(Cc2ccc(C#N)cc2[N+](=O)[O-])C1 ZINC000567988903 383339923 /nfs/dbraw/zinc/33/99/23/383339923.db2.gz RZMIGDXOLPWQLY-LLVKDONJSA-N 0 1 291.376 2.651 20 30 CFEDMN C[C@@H]1C[C@@H](O)C[C@H](C)N1CC#Cc1ccc(Cl)cc1 ZINC000248835356 383296020 /nfs/dbraw/zinc/29/60/20/383296020.db2.gz NIABHMTXUZCQOR-YWVIFJGQSA-N 0 1 277.795 2.925 20 30 CFEDMN COc1cncc(/C=C\CCN(C)C[C@H](C)C#N)c1 ZINC000567759880 383313684 /nfs/dbraw/zinc/31/36/84/383313684.db2.gz FFTSNZQNOGLULU-RYWCDNDXSA-N 0 1 259.353 2.585 20 30 CFEDMN C=CCOc1ccc(CN[C@H](CO)CC(F)(F)F)cc1 ZINC000339795847 383320738 /nfs/dbraw/zinc/32/07/38/383320738.db2.gz PZWKZWVCXCJVNG-LBPRGKRZSA-N 0 1 289.297 2.654 20 30 CFEDMN C=CC[C@H](C)[C@H](C)NCc1nn(C)cc1Br ZINC000449483716 383324091 /nfs/dbraw/zinc/32/40/91/383324091.db2.gz JZTJLDLIVZHJGM-UWVGGRQHSA-N 0 1 286.217 2.873 20 30 CFEDMN CC(C)(C)C(=O)NC[C@@H]1CCCN(CC2(C#N)CCC2)C1 ZINC000450409011 383395658 /nfs/dbraw/zinc/39/56/58/383395658.db2.gz VJZLWKFHWMIZFS-AWEZNQCLSA-N 0 1 291.439 2.555 20 30 CFEDMN CO[C@@H]1CN(Cc2cn3ccccc3c2C#N)CC[C@H]1C ZINC000251994141 383402111 /nfs/dbraw/zinc/40/21/11/383402111.db2.gz WDLNHZWOMFUGPV-CXAGYDPISA-N 0 1 283.375 2.668 20 30 CFEDMN C=C[C@@H]1CCCCN1Cc1cnc2nc(C)cc(C)n12 ZINC000426561907 383405357 /nfs/dbraw/zinc/40/53/57/383405357.db2.gz YLNNUSXZZFPVJE-CQSZACIVSA-N 0 1 270.380 2.887 20 30 CFEDMN COC(=O)C1(CN2CCC[C@H]2[C@H](C#N)c2ccccc2)CC1 ZINC000450452385 383416217 /nfs/dbraw/zinc/41/62/17/383416217.db2.gz MNWWNSQVRGGDEL-CVEARBPZSA-N 0 1 298.386 2.711 20 30 CFEDMN N#C[C@@H]1CC[C@H](Nc2nnc(-c3ccccc3)s2)C1 ZINC000425271214 383354994 /nfs/dbraw/zinc/35/49/94/383354994.db2.gz HSPXBQPWYYQCJJ-PWSUYJOCSA-N 0 1 270.361 2.731 20 30 CFEDMN CC#CCCCC(=O)N(C)Cc1cc(C(C)(C)C)[nH]n1 ZINC000470323844 383376240 /nfs/dbraw/zinc/37/62/40/383376240.db2.gz UHNSNYUIAGHUJS-UHFFFAOYSA-N 0 1 275.396 2.859 20 30 CFEDMN CC(C)(C)[C@@H]1CCN(CC#Cc2ccccc2)C[C@H]1O ZINC000484091346 383454156 /nfs/dbraw/zinc/45/41/56/383454156.db2.gz FCKPXIJYFMCVPE-IAGOWNOFSA-N 0 1 271.404 2.767 20 30 CFEDMN C=CCC1(C(=O)N2CCN(C)[C@@H](C)[C@H]2C)CCCC1 ZINC000450559411 383461488 /nfs/dbraw/zinc/46/14/88/383461488.db2.gz FLUULDMSPNHTPN-UONOGXRCSA-N 0 1 264.413 2.674 20 30 CFEDMN Cc1cc(CN(C)Cc2ccc(C#N)cc2)ccn1 ZINC000527531950 383469549 /nfs/dbraw/zinc/46/95/49/383469549.db2.gz CLULLMRLYJNQBF-UHFFFAOYSA-N 0 1 251.333 2.894 20 30 CFEDMN C=CCCC[C@@H](C)NC(=O)N1CCN(C)[C@@H](C(C)C)C1 ZINC000486489200 383472098 /nfs/dbraw/zinc/47/20/98/383472098.db2.gz QCNSVDYQNWLION-HUUCEWRRSA-N 0 1 281.444 2.713 20 30 CFEDMN CC(C)C[C@H](CO)N(C)Cc1cccc(F)c1C#N ZINC000428443482 383473377 /nfs/dbraw/zinc/47/33/77/383473377.db2.gz RURURSOZZZKLLS-CYBMUJFWSA-N 0 1 264.344 2.536 20 30 CFEDMN C[C@@H]1CC[C@@](CO)(N(C)Cc2cccc(F)c2C#N)C1 ZINC000428443763 383473454 /nfs/dbraw/zinc/47/34/54/383473454.db2.gz AHTAUIFVRQBCAT-MLGOLLRUSA-N 0 1 276.355 2.680 20 30 CFEDMN CO[C@@]1(C)C[C@H](N(C)CC2(C#N)CCC2)C1(C)C ZINC000450456765 383417397 /nfs/dbraw/zinc/41/73/97/383417397.db2.gz YTXJUWJQJUCTLP-JSGCOSHPSA-N 0 1 250.386 2.816 20 30 CFEDMN CC[C@@H](C(=O)N[C@]1(C#N)CC1(C)C)N(C)Cc1ccccc1 ZINC000427897475 383417846 /nfs/dbraw/zinc/41/78/46/383417846.db2.gz RIBBIWNXBHHJRK-YJBOKZPZSA-N 0 1 299.418 2.705 20 30 CFEDMN C[C@H](C(=O)Nc1ccccc1)N1CCC(CC#N)CC1 ZINC000260481790 383505442 /nfs/dbraw/zinc/50/54/42/383505442.db2.gz KKPJJMTXQSBKCF-CYBMUJFWSA-N 0 1 271.364 2.639 20 30 CFEDMN N#CCC1CCN([C@@H]2CCN(C3CCCCC3)C2=O)CC1 ZINC000528443995 383540266 /nfs/dbraw/zinc/54/02/66/383540266.db2.gz TYTJMXFXBBKHKQ-MRXNPFEDSA-N 0 1 289.423 2.546 20 30 CFEDMN Cc1oc(NC(=O)CN(C)[C@H]2CC[C@H](C)C2)c(C#N)c1C ZINC000429557561 383542995 /nfs/dbraw/zinc/54/29/95/383542995.db2.gz COHNYHURAUZWQK-GWCFXTLKSA-N 0 1 289.379 2.827 20 30 CFEDMN CC1(C)CN(C[C@@H](O)CC2(C#N)CC2)[C@@H]1c1cccnc1 ZINC000528560575 383576583 /nfs/dbraw/zinc/57/65/83/383576583.db2.gz LLIKRHGNGPEPKZ-LSDHHAIUSA-N 0 1 285.391 2.519 20 30 CFEDMN N#C[C@@H]1CC[C@H](N2CCN(c3cccc4[nH]ccc43)CC2)C1 ZINC000528761136 383627679 /nfs/dbraw/zinc/62/76/79/383627679.db2.gz CWULVSJIZPULNI-CABCVRRESA-N 0 1 294.402 2.982 20 30 CFEDMN CO[C@@]1(C)C[C@H](NCc2cccc(F)c2C#N)C1(C)C ZINC000451508716 383631388 /nfs/dbraw/zinc/63/13/88/383631388.db2.gz WMCUGFQPRBWGPD-HOCLYGCPSA-N 0 1 276.355 2.991 20 30 CFEDMN C=CCN(Cc1cccc([N+](=O)[O-])c1)C[C@@H](O)C(C)C ZINC000432927994 383751389 /nfs/dbraw/zinc/75/13/89/383751389.db2.gz PKAUILKNQBCWKJ-OAHLLOKOSA-N 0 1 278.352 2.600 20 30 CFEDMN C=CCCC[C@H](C)N(C)Cc1ccccc1S(N)(=O)=O ZINC000432992669 383752858 /nfs/dbraw/zinc/75/28/58/383752858.db2.gz PNTARBHZZQBOHO-ZDUSSCGKSA-N 0 1 296.436 2.511 20 30 CFEDMN CN(CCC(=O)N(C)c1ccccc1)CC(C)(C)C#N ZINC000433305846 383758810 /nfs/dbraw/zinc/75/88/10/383758810.db2.gz QPFFXTIQDCMUMV-UHFFFAOYSA-N 0 1 273.380 2.521 20 30 CFEDMN C=CCNC(=O)CN(C)[C@@H](c1ccc(F)cc1)C(C)C ZINC000434621380 383769428 /nfs/dbraw/zinc/76/94/28/383769428.db2.gz SFFFWENVSGWKOJ-MRXNPFEDSA-N 0 1 278.371 2.757 20 30 CFEDMN C=CCN(C(=O)[C@@H]1CCCCN1C)c1ccccc1 ZINC000635944604 383665847 /nfs/dbraw/zinc/66/58/47/383665847.db2.gz XDSXCNVFARQBKC-HNNXBMFYSA-N 0 1 258.365 2.690 20 30 CFEDMN C=CC1CCN(C(=O)Nc2cc(CN(C)C)ccn2)CC1 ZINC000640560296 383827838 /nfs/dbraw/zinc/82/78/38/383827838.db2.gz DCLHIIUJYIESAM-UHFFFAOYSA-N 0 1 288.395 2.573 20 30 CFEDMN N#Cc1ccnc(SCc2cc(O)ccc2[N+](=O)[O-])c1 ZINC000436473174 383820918 /nfs/dbraw/zinc/82/09/18/383820918.db2.gz FJKVUFYZXCLFLQ-UHFFFAOYSA-N 0 1 287.300 2.859 20 30 CFEDMN CCn1ccnc1[C@H](C)NCCOc1ccc(C#N)cc1 ZINC000453139196 383782032 /nfs/dbraw/zinc/78/20/32/383782032.db2.gz AJCCSKUFGZOYES-ZDUSSCGKSA-N 0 1 284.363 2.504 20 30 CFEDMN C=C(C)C[C@@H](C)C(=O)N1C[C@@H](C)N(CC)[C@@H](C)C1 ZINC000640607540 383840555 /nfs/dbraw/zinc/84/05/55/383840555.db2.gz OXTVCECRJGRBEP-MCIONIFRSA-N 0 1 252.402 2.530 20 30 CFEDMN C=C(C)C(C)(C)C(=O)N1C[C@@H](C)N(CC)[C@@H](C)C1 ZINC000640608838 383843584 /nfs/dbraw/zinc/84/35/84/383843584.db2.gz BCQRUDQMLOKDQZ-BETUJISGSA-N 0 1 252.402 2.530 20 30 CFEDMN C=C[C@](C)(CC)C(=O)N1CCN(C)[C@H](C(C)(C)C)C1 ZINC000640620293 383852638 /nfs/dbraw/zinc/85/26/38/383852638.db2.gz CJVPYBXPYDBFDH-XJKSGUPXSA-N 0 1 266.429 2.777 20 30 CFEDMN C=CCN(CC=C)C(=O)CN1CC[C@@H]1Cc1ccccc1 ZINC000437821939 383911924 /nfs/dbraw/zinc/91/19/24/383911924.db2.gz KOJCEYMZVKGEPN-QGZVFWFLSA-N 0 1 284.403 2.504 20 30 CFEDMN COC[C@@H]1CCN(Cc2ccc(C#N)cc2OC(F)F)C1 ZINC000437884905 383917550 /nfs/dbraw/zinc/91/75/50/383917550.db2.gz YZGPHJAIRSPQFX-GFCCVEGCSA-N 0 1 296.317 2.628 20 30 CFEDMN CCO[C@H]1C[C@@H]([N@@H+](C)Cc2ccc(C#N)cn2)C1(C)C ZINC000573665346 383969144 /nfs/dbraw/zinc/96/91/44/383969144.db2.gz PZRLWKZMYKGBBJ-CABCVRRESA-N 0 1 273.380 2.589 20 30 CFEDMN CCO[C@H]1C[C@@H](N(C)Cc2ccc(C#N)cn2)C1(C)C ZINC000573665346 383969146 /nfs/dbraw/zinc/96/91/46/383969146.db2.gz PZRLWKZMYKGBBJ-CABCVRRESA-N 0 1 273.380 2.589 20 30 CFEDMN C=CC1CCN(CC(=O)NCCC2CCCCC2)CC1 ZINC000532414541 384026702 /nfs/dbraw/zinc/02/67/02/384026702.db2.gz BBTWFBHWLWYTJE-UHFFFAOYSA-N 0 1 278.440 2.971 20 30 CFEDMN CN(CCCOCc1ccccc1)CC1(C#N)CC1 ZINC000439487358 384035419 /nfs/dbraw/zinc/03/54/19/384035419.db2.gz RUCAYMGTRRTQMM-UHFFFAOYSA-N 0 1 258.365 2.829 20 30 CFEDMN C[C@@H]1C[C@@H](C)N(CC(=O)Nc2cc(Cl)ccc2C#N)C1 ZINC000532970833 384087621 /nfs/dbraw/zinc/08/76/21/384087621.db2.gz ZSNRXDQMIWSJAP-GHMZBOCLSA-N 0 1 291.782 2.880 20 30 CFEDMN C=CCNC(=O)CN1CCC[C@@]2(CCCc3ccccc32)C1 ZINC000440310628 384078722 /nfs/dbraw/zinc/07/87/22/384078722.db2.gz ATZWNGBEURWYOX-IBGZPJMESA-N 0 1 298.430 2.659 20 30 CFEDMN CC[C@@H](C)c1nc([C@@H](C)Nc2ccc(C#N)cn2)n[nH]1 ZINC000277462458 384308079 /nfs/dbraw/zinc/30/80/79/384308079.db2.gz QPMNHBKXGJHJMA-NXEZZACHSA-N 0 1 270.340 2.758 20 30 CFEDMN C=CC[C@@H](C)NC(=O)[C@@H](N)c1ccc(C(F)(F)F)cc1 ZINC000638011342 384353092 /nfs/dbraw/zinc/35/30/92/384353092.db2.gz WMFYDJZBWLZJTH-SKDRFNHKSA-N 0 1 286.297 2.786 20 30 CFEDMN C=C1CCN(Cc2ccccc2OCCCCO)CC1 ZINC000638033674 384372755 /nfs/dbraw/zinc/37/27/55/384372755.db2.gz XMLHZPPZOUWVCU-UHFFFAOYSA-N 0 1 275.392 2.990 20 30 CFEDMN C#CCN1CCC(c2nc(-c3ccc(F)cc3C)no2)CC1 ZINC000277722632 384387694 /nfs/dbraw/zinc/38/76/94/384387694.db2.gz AUTLMLUTBDVNJO-UHFFFAOYSA-N 0 1 299.349 2.997 20 30 CFEDMN C[C@@]1(NCc2ccccc2C#N)CCO[C@H]1C1CC1 ZINC000374632767 220324492 /nfs/dbraw/zinc/32/44/92/220324492.db2.gz VFHKTUWIKJNYPJ-JKSUJKDBSA-N 0 1 256.349 2.605 20 30 CFEDMN C=CC[C@H]1CCCC[C@@H]1NC(=O)c1oc(CN)cc1C ZINC000638401175 384623209 /nfs/dbraw/zinc/62/32/09/384623209.db2.gz QELBPEFQFOVWRE-JSGCOSHPSA-N 0 1 276.380 2.911 20 30 CFEDMN C=CCN(CC=C)C(=O)c1sccc1CN(C)C ZINC000279555515 384675249 /nfs/dbraw/zinc/67/52/49/384675249.db2.gz JRGMVSQKKMHYTJ-UHFFFAOYSA-N 0 1 264.394 2.624 20 30 CFEDMN C=CCOCCCc1nc(-c2ccn3cncc3c2)no1 ZINC000279510738 384660108 /nfs/dbraw/zinc/66/01/08/384660108.db2.gz JLRVMFKWWPYGCF-UHFFFAOYSA-N 0 1 284.319 2.520 20 30 CFEDMN C=CC[C@H](C)[C@H](C)N[C@@H]1CS(=O)(=O)c2ccccc21 ZINC000269133423 384730571 /nfs/dbraw/zinc/73/05/71/384730571.db2.gz ZVCVHEIOWRIKGW-SGMGOOAPSA-N 0 1 279.405 2.705 20 30 CFEDMN CCC[C@@H](C)N(C)CC(=O)Nc1oc(C)c(C)c1C#N ZINC000269509843 384772440 /nfs/dbraw/zinc/77/24/40/384772440.db2.gz OFDRGGYXFFZZSJ-SNVBAGLBSA-N 0 1 277.368 2.827 20 30 CFEDMN COc1ccc(CN(C)[C@@H](CO)c2ccccc2)cc1C#N ZINC000269724005 384851899 /nfs/dbraw/zinc/85/18/99/384851899.db2.gz VLJOLHPBHLZDFK-KRWDZBQOSA-N 0 1 296.370 2.732 20 30 CFEDMN Cc1ccncc1CN(C)Cc1ccc(C#N)cc1 ZINC000269741673 384858320 /nfs/dbraw/zinc/85/83/20/384858320.db2.gz ZDYVCOZHCLIUPS-UHFFFAOYSA-N 0 1 251.333 2.894 20 30 CFEDMN C=C[C@H](CC(=O)NCCN1CC=CCC1)c1ccccc1 ZINC000280269830 384952783 /nfs/dbraw/zinc/95/27/83/384952783.db2.gz PEYGCADNZOYZKQ-MRXNPFEDSA-N 0 1 284.403 2.724 20 30 CFEDMN C=CCCOCCNCc1nc2ccccc2nc1C ZINC000638812040 384942368 /nfs/dbraw/zinc/94/23/68/384942368.db2.gz QOKFQMKDVGVFRC-UHFFFAOYSA-N 0 1 271.364 2.621 20 30 CFEDMN C=CCCC(C)(C)CNC(=O)c1cc(C(C)(C)N)no1 ZINC000638867015 385000210 /nfs/dbraw/zinc/00/02/10/385000210.db2.gz WWECVBHIBUPKJP-UHFFFAOYSA-N 0 1 279.384 2.591 20 30 CFEDMN C=CCc1cc(CN[C@H](C)c2cn[nH]c2)cc(OC)c1O ZINC000270198837 385011273 /nfs/dbraw/zinc/01/12/73/385011273.db2.gz LWVFDXAPXMNWAB-LLVKDONJSA-N 0 1 287.363 2.703 20 30 CFEDMN C=CCCCNC(=O)NC[C@@H](c1cccc(F)c1)N(C)C ZINC000280663672 385105564 /nfs/dbraw/zinc/10/55/64/385105564.db2.gz OQTORRUGBBFERU-HNNXBMFYSA-N 0 1 293.386 2.694 20 30 CFEDMN C=CCN1CC[C@@H](N(C)[C@@H](C)c2cccc(F)c2)C1=O ZINC000281420609 385195613 /nfs/dbraw/zinc/19/56/13/385195613.db2.gz BQTUYWBJMREYQD-SWLSCSKDSA-N 0 1 276.355 2.605 20 30 CFEDMN CC(C)c1nc([C@@H](C)NC(=O)Nc2ccc(C#N)cc2)n[nH]1 ZINC000270703783 385199108 /nfs/dbraw/zinc/19/91/08/385199108.db2.gz JEEDJPDMHQKVTK-SNVBAGLBSA-N 0 1 298.350 2.682 20 30 CFEDMN C=CCC(CC=C)C(=O)N[C@@H](C)c1n[nH]c(C(C)C)n1 ZINC000270777665 385222536 /nfs/dbraw/zinc/22/25/36/385222536.db2.gz RWEGGALLQAEYRI-NSHDSACASA-N 0 1 276.384 2.874 20 30 CFEDMN CO[C@H]1CCN(Cc2ccc(C#N)s2)[C@@H](C)C1 ZINC000282357730 385292575 /nfs/dbraw/zinc/29/25/75/385292575.db2.gz POPAIWJYFGPLRS-QWRGUYRKSA-N 0 1 250.367 2.619 20 30 CFEDMN C=C1CCN(Cc2cn(C)nc2-c2cccnc2)CC1 ZINC000271162488 385357995 /nfs/dbraw/zinc/35/79/95/385357995.db2.gz LUIXJBDSUHOMBI-UHFFFAOYSA-N 0 1 268.364 2.634 20 30 CFEDMN C=C(C)[C@H]1OCC[C@@H]1CNC(=O)c1cccc2nc(C)[nH]c21 ZINC000282693485 385371261 /nfs/dbraw/zinc/37/12/61/385371261.db2.gz FGKUCAWFWUBVFG-MLGOLLRUSA-N 0 1 299.374 2.582 20 30 CFEDMN C[C@H](N[C@@H](C)c1ccc(C#N)c(F)c1)c1cn[nH]c1 ZINC000271910771 385398023 /nfs/dbraw/zinc/39/80/23/385398023.db2.gz ARSXJSLJUJDSCM-UWVGGRQHSA-N 0 1 258.300 2.832 20 30 CFEDMN C=CCN1CC[C@@H](N[C@H](C)c2ccccc2SC)C1=O ZINC000283397439 385462443 /nfs/dbraw/zinc/46/24/43/385462443.db2.gz FGJNZILGFUUUEF-TZMCWYRMSA-N 0 1 290.432 2.846 20 30 CFEDMN N#Cc1cc(CN2CCC[C@@H]2[C@H]2CCCO2)ccc1F ZINC000283950116 385518285 /nfs/dbraw/zinc/51/82/85/385518285.db2.gz ALUODQVOXXPZCS-HZPDHXFCSA-N 0 1 274.339 2.841 20 30 CFEDMN N#Cc1cccnc1N1CCN([C@@H]2C=CCCCCC2)CC1 ZINC000284303102 385547738 /nfs/dbraw/zinc/54/77/38/385547738.db2.gz OSBHIXREVVTTGW-QGZVFWFLSA-N 0 1 296.418 2.964 20 30 CFEDMN C=CC[N@@H+](CCc1cnccn1)Cc1cccs1 ZINC000639435505 385525577 /nfs/dbraw/zinc/52/55/77/385525577.db2.gz PHJXSMHNEXMENT-UHFFFAOYSA-N 0 1 259.378 2.769 20 30 CFEDMN C=CCC[C@H](N[C@@H]1CC(=O)N(C(C)C)C1)c1ccco1 ZINC000286238111 385576311 /nfs/dbraw/zinc/57/63/11/385576311.db2.gz TYJCSMDCTOCSGX-KGLIPLIRSA-N 0 1 276.380 2.886 20 30 CFEDMN CC[N@H+]1CCN(c2nc(C(F)(F)F)ccc2C#N)[C@H](C)C1 ZINC000286299745 385584706 /nfs/dbraw/zinc/58/47/06/385584706.db2.gz JKCXGERXNHSXPO-SNVBAGLBSA-N 0 1 298.312 2.502 20 30 CFEDMN CCN1CCN(c2nc(C(F)(F)F)ccc2C#N)[C@H](C)C1 ZINC000286299745 385584709 /nfs/dbraw/zinc/58/47/09/385584709.db2.gz JKCXGERXNHSXPO-SNVBAGLBSA-N 0 1 298.312 2.502 20 30 CFEDMN C=CCS(=O)(=O)CCN[C@H](C)c1cc(C)sc1C ZINC000272846824 385631560 /nfs/dbraw/zinc/63/15/60/385631560.db2.gz KJEATSPGGMOOGZ-LLVKDONJSA-N 0 1 287.450 2.616 20 30 CFEDMN C=CCS(=O)(=O)CCN[C@H](C)c1ccc(CC)s1 ZINC000272868709 385637718 /nfs/dbraw/zinc/63/77/18/385637718.db2.gz OGGFLZYVGNCZOT-LLVKDONJSA-N 0 1 287.450 2.562 20 30 CFEDMN C=C(C)C[N@H+]1CC[C@H](c2ccc3cccnc3n2)C1 ZINC000639793992 385712345 /nfs/dbraw/zinc/71/23/45/385712345.db2.gz QKVANECQIHRYJC-AWEZNQCLSA-N 0 1 253.349 2.995 20 30 CFEDMN C#CC[N@H+](CCC(=O)Nc1ccccc1SC)C1CC1 ZINC000274152968 385728419 /nfs/dbraw/zinc/72/84/19/385728419.db2.gz LDSSYAFXXBZJJL-UHFFFAOYSA-N 0 1 288.416 2.835 20 30 CFEDMN C=CCCCCCCNC(=O)CCCCc1cn[nH]n1 ZINC000287015650 385762161 /nfs/dbraw/zinc/76/21/61/385762161.db2.gz LBVGGKRTWXHOHX-UHFFFAOYSA-N 0 1 278.400 2.770 20 30 CFEDMN C=C1CC(C)(C(=O)Nc2ncc(C(F)(F)F)[nH]2)C1 ZINC000639964643 385796546 /nfs/dbraw/zinc/79/65/46/385796546.db2.gz ZPVWIZGVTMGYEJ-UHFFFAOYSA-N 0 1 259.231 2.723 20 30 CFEDMN CC[C@H]1CN(CC#Cc2ccc(F)cc2)CCCO1 ZINC000281494929 195263522 /nfs/dbraw/zinc/26/35/22/195263522.db2.gz TZYPUTUOZVSQMZ-INIZCTEOSA-N 0 1 261.340 2.678 20 30 CFEDMN C=CC[C@H](C)NC(=O)NC[C@H](c1cccs1)N(C)C ZINC000116973694 260020213 /nfs/dbraw/zinc/02/02/13/260020213.db2.gz XSDUBKKIIKZPJI-NWDGAFQWSA-N 0 1 281.425 2.615 20 30 CFEDMN CC[C@@H](C(=O)NCCCCC#N)N(C)Cc1ccccc1 ZINC000354268164 260052280 /nfs/dbraw/zinc/05/22/80/260052280.db2.gz LCVWOXRZBSFGPP-INIZCTEOSA-N 0 1 287.407 2.707 20 30 CFEDMN C=C(C)[C@@H](NCCOCCOC)c1ccc(F)c(F)c1 ZINC000187777684 260057063 /nfs/dbraw/zinc/05/70/63/260057063.db2.gz DZIJDKCXCDZQGH-OAHLLOKOSA-N 0 1 285.334 2.835 20 30 CFEDMN C=CCCN(C)Cc1nnc(-c2cc(C)oc2C)o1 ZINC000336807373 262395515 /nfs/dbraw/zinc/39/55/15/262395515.db2.gz JFZBYJSPGRRROC-UHFFFAOYSA-N 0 1 261.325 2.954 20 30 CFEDMN C=CC[C@H](CC)NC(=O)c1n[nH]c2ccc([N+](=O)[O-])cc21 ZINC000281643975 195320350 /nfs/dbraw/zinc/32/03/50/195320350.db2.gz HPODCQLZSXXWOK-VIFPVBQESA-N 0 1 288.307 2.556 20 30 CFEDMN C=CC[C@H]1N(C(=O)Cc2ccn[nH]2)CCCC1(C)C ZINC000278272651 542765855 /nfs/dbraw/zinc/76/58/55/542765855.db2.gz ZBGFYTPPYRNOCK-CYBMUJFWSA-N 0 1 261.369 2.546 20 30 CFEDMN C=CCOCCNCc1ncc(C(C)(C)C)s1 ZINC000684110551 542766556 /nfs/dbraw/zinc/76/65/56/542766556.db2.gz WKKHGEFRHZZOCW-UHFFFAOYSA-N 0 1 254.399 2.733 20 30 CFEDMN C#CCN(Cc1cnc[nH]1)[C@@H]1CCc2ccccc21 ZINC000179204066 393457144 /nfs/dbraw/zinc/45/71/44/393457144.db2.gz JHBRJYOVUSNJHT-MRXNPFEDSA-N 0 1 251.333 2.532 20 30 CFEDMN C[C@@H]1OCC[C@]1(C)[NH+]=C([O-])N[C@@H]1CCc2ccccc2C1 ZINC000329507771 393540405 /nfs/dbraw/zinc/54/04/05/393540405.db2.gz HTZKXNZRUJVCOQ-MJEQTWJJSA-N 0 1 288.391 2.615 20 30 CFEDMN C[C@@H]1OCC[C@]1(C)NC([O-])=[NH+][C@@H]1CCc2ccccc2C1 ZINC000329507771 393540410 /nfs/dbraw/zinc/54/04/10/393540410.db2.gz HTZKXNZRUJVCOQ-MJEQTWJJSA-N 0 1 288.391 2.615 20 30 CFEDMN O=C(Nc1nc(C2CCC2)n[nH]1)c1cccnc1C1CC1 ZINC000329525821 393541653 /nfs/dbraw/zinc/54/16/53/393541653.db2.gz REHWFURGBKDMTI-UHFFFAOYSA-N 0 1 283.335 2.981 20 30 CFEDMN O=C(Nc1n[nH]c(C2CCC2)n1)c1cccnc1C1CC1 ZINC000329525821 393541659 /nfs/dbraw/zinc/54/16/59/393541659.db2.gz REHWFURGBKDMTI-UHFFFAOYSA-N 0 1 283.335 2.981 20 30 CFEDMN CC[C@@H](O)CN1CCC[C@@H]1[C@H](C#N)c1ccccc1 ZINC000304287971 393498237 /nfs/dbraw/zinc/49/82/37/393498237.db2.gz BEGOSZGAZVWFRQ-BZUAXINKSA-N 0 1 258.365 2.529 20 30 CFEDMN [O-]C(NCCn1cccn1)=[NH+][C@@H]1CC[C@@H]2CCCC[C@@H]2C1 ZINC000329447799 393534526 /nfs/dbraw/zinc/53/45/26/393534526.db2.gz LJVCRCQNCXDESB-RRFJBIMHSA-N 0 1 290.411 2.746 20 30 CFEDMN [O-]C(N[C@@H]1CC[C@@H]2CCCC[C@@H]2C1)=[NH+]CCn1cccn1 ZINC000329447799 393534529 /nfs/dbraw/zinc/53/45/29/393534529.db2.gz LJVCRCQNCXDESB-RRFJBIMHSA-N 0 1 290.411 2.746 20 30 CFEDMN C[C@@H]1CCN([C@H](C(N)=O)c2ccc(C#N)cc2)[C@H]1C ZINC000331145211 393554886 /nfs/dbraw/zinc/55/48/86/393554886.db2.gz ZBOJGTDOQMOXTM-SUNKGSAMSA-N 0 1 257.337 2.865 20 30 CFEDMN Cc1ccc2nc(CN3CCC(CC#N)CC3)cn2c1 ZINC000334335352 393595846 /nfs/dbraw/zinc/59/58/46/393595846.db2.gz AEUBPHSOLBZVBO-UHFFFAOYSA-N 0 1 268.364 2.768 20 30 CFEDMN CCOC1CCN(Cc2ccc(C#N)c(F)c2)CC1 ZINC000191958245 393611223 /nfs/dbraw/zinc/61/12/23/393611223.db2.gz ILBZXYDABVDSKC-UHFFFAOYSA-N 0 1 262.328 2.698 20 30 CFEDMN CC(C)n1cc(C#N)c(=NC(=O)[C@H]2CC[C@@H](C)[C@H](C)C2)[nH]1 ZINC000410539955 393629026 /nfs/dbraw/zinc/62/90/26/393629026.db2.gz LBUODHOHARCRKG-UPJWGTAASA-N 0 1 288.395 2.768 20 30 CFEDMN CC[C@H]1CCC[C@@H]1C(=O)N=c1[nH]n(C(C)C)cc1C#N ZINC000410541864 393629395 /nfs/dbraw/zinc/62/93/95/393629395.db2.gz PGZWHVYQSFCMPB-AAEUAGOBSA-N 0 1 274.368 2.522 20 30 CFEDMN COc1ccc(C[N@@H+](C)Cc2ccc(C#N)cc2)cc1O ZINC000080963409 393729415 /nfs/dbraw/zinc/72/94/15/393729415.db2.gz KHXYECIFGWTVNH-UHFFFAOYSA-N 0 1 282.343 2.904 20 30 CFEDMN COc1ccc(CN(C)Cc2ccc(C#N)cc2)cc1O ZINC000080963409 393729417 /nfs/dbraw/zinc/72/94/17/393729417.db2.gz KHXYECIFGWTVNH-UHFFFAOYSA-N 0 1 282.343 2.904 20 30 CFEDMN C=CC[C@H](Cc1ccccc1)NC(=O)NCc1cn[nH]c1C ZINC000413130392 393779693 /nfs/dbraw/zinc/77/96/93/393779693.db2.gz NCIMIKKDGPGVRT-MRXNPFEDSA-N 0 1 298.390 2.705 20 30 CFEDMN C[C@@H](C#N)CN(C(=O)c1cnc(-c2ccccc2)[nH]1)C1CC1 ZINC000338358326 393784050 /nfs/dbraw/zinc/78/40/50/393784050.db2.gz WXTJKUGZKAZZNV-LBPRGKRZSA-N 0 1 294.358 2.841 20 30 CFEDMN C[C@H](CC#N)[N@H+](C)Cc1cc(Cl)cc([N+](=O)[O-])c1[O-] ZINC000093090629 393794511 /nfs/dbraw/zinc/79/45/11/393794511.db2.gz IJTAPCCPVXRDRN-MRVPVSSYSA-N 0 1 283.715 2.688 20 30 CFEDMN C[C@H](CC#N)[N@@H+](C)Cc1cc(Cl)cc([N+](=O)[O-])c1[O-] ZINC000093090629 393794514 /nfs/dbraw/zinc/79/45/14/393794514.db2.gz IJTAPCCPVXRDRN-MRVPVSSYSA-N 0 1 283.715 2.688 20 30 CFEDMN CC[C@@H]1CN(Cc2cc(C#N)cs2)CCS1 ZINC000093502388 393800097 /nfs/dbraw/zinc/80/00/97/393800097.db2.gz NTDTWESWZQQEBJ-LLVKDONJSA-N 0 1 252.408 2.947 20 30 CFEDMN COc1ccc2c(c1OC)CCN([C@H]1CC[C@@H](C#N)C1)C2 ZINC000339056429 393813536 /nfs/dbraw/zinc/81/35/36/393813536.db2.gz LHDRNPCSUKYMDT-OCCSQVGLSA-N 0 1 286.375 2.754 20 30 CFEDMN C[C@H](c1ccc(C#N)cc1)N1CCN(c2ccccn2)CC1 ZINC000118390473 393911155 /nfs/dbraw/zinc/91/11/55/393911155.db2.gz JVDWAFONWDWATL-OAHLLOKOSA-N 0 1 292.386 2.836 20 30 CFEDMN COc1ccc([C@H]2CCN(CC3(C#N)CC3)C2)cc1 ZINC000343313455 393883573 /nfs/dbraw/zinc/88/35/73/393883573.db2.gz IFVMFQYBHABFTC-AWEZNQCLSA-N 0 1 256.349 2.788 20 30 CFEDMN C=C(C)C[C@H](C)C(=O)NCCN(CC)CCC(F)(F)F ZINC000427201174 393892212 /nfs/dbraw/zinc/89/22/12/393892212.db2.gz XSRDCYJDNIBMFA-LBPRGKRZSA-N 0 1 294.361 2.979 20 30 CFEDMN C=CC[C@H](C(=O)N1CCN(CCC)CC1)c1ccccc1 ZINC000427079948 393892442 /nfs/dbraw/zinc/89/24/42/393892442.db2.gz DHHUFAMGZPWMPW-KRWDZBQOSA-N 0 1 286.419 2.901 20 30 CFEDMN C=CCC[C@@H](C(=O)NCCN1CCC1)c1ccccc1 ZINC000427621386 393894360 /nfs/dbraw/zinc/89/43/60/393894360.db2.gz CBJAJEFRZCMVEW-MRXNPFEDSA-N 0 1 272.392 2.558 20 30 CFEDMN N#CCCCNC(=O)c1cn[nH]c1-c1ccc(Cl)s1 ZINC000427906601 393895607 /nfs/dbraw/zinc/89/56/07/393895607.db2.gz IJUIUBZYOYVJTG-UHFFFAOYSA-N 0 1 294.767 2.825 20 30 CFEDMN C[C@H](N[C@@H](CO)CC(F)(F)F)c1ccc(C#N)cc1 ZINC000344279329 393898121 /nfs/dbraw/zinc/89/81/21/393898121.db2.gz FAPWPUGQYOLMEL-JOYOIKCWSA-N 0 1 272.270 2.522 20 30 CFEDMN CN(C)[C@@H]1CCOc2c(NC(=O)C(C)(C)C#N)cccc21 ZINC000345502082 393909921 /nfs/dbraw/zinc/90/99/21/393909921.db2.gz GGMCXOYWWLFMKL-CYBMUJFWSA-N 0 1 287.363 2.560 20 30 CFEDMN C=C1CCN(CCOCC(F)(F)C(F)F)CC1 ZINC000346258477 393924500 /nfs/dbraw/zinc/92/45/00/393924500.db2.gz IQPDOQJLNLQMAO-UHFFFAOYSA-N 0 1 255.255 2.555 20 30 CFEDMN C=CCN(CC=C)C(=O)c1cnc(-c2ccccc2)[nH]1 ZINC000346110773 393920551 /nfs/dbraw/zinc/92/05/51/393920551.db2.gz NQEZIZQCBVFXGI-UHFFFAOYSA-N 0 1 267.332 2.891 20 30 CFEDMN Cc1ncccc1OC[C@@H]1CCCN1Cc1ccc(C#N)o1 ZINC000418141956 394020212 /nfs/dbraw/zinc/02/02/12/394020212.db2.gz MGXZOUUTSFBQAL-AWEZNQCLSA-N 0 1 297.358 2.898 20 30 CFEDMN C=C(C)CCN1CCN(CC(F)(F)F)[C@@H](C)C1 ZINC000351731882 394006614 /nfs/dbraw/zinc/00/66/14/394006614.db2.gz YEVCZMCXCKSSKF-NSHDSACASA-N 0 1 250.308 2.521 20 30 CFEDMN C=C(C)CN(CC)C(=O)[C@@H](C)N1CCC(F)(F)[C@@H](C)C1 ZINC000352037471 394010678 /nfs/dbraw/zinc/01/06/78/394010678.db2.gz VPZXTBBPUXBYOO-QWHCGFSZSA-N 0 1 288.382 2.777 20 30 CFEDMN Cc1oc(C#N)cc1C(=O)Nc1nc2ccc(F)cc2[nH]1 ZINC000437195376 394049534 /nfs/dbraw/zinc/04/95/34/394049534.db2.gz QNUAANZLPXINAZ-UHFFFAOYSA-N 0 1 284.250 2.727 20 30 CFEDMN C#C[C@H](NCCC(C)(C)C(=O)OC)c1ccc(F)cc1 ZINC000491715047 394057419 /nfs/dbraw/zinc/05/74/19/394057419.db2.gz ISTMZBNYJITBGI-AWEZNQCLSA-N 0 1 277.339 2.679 20 30 CFEDMN C=CCN1CC[C@H](N2CCC[C@@H]2c2ccsc2)C1=O ZINC000281976968 394104187 /nfs/dbraw/zinc/10/41/87/394104187.db2.gz LRKGPCKMHTWUDK-KGLIPLIRSA-N 0 1 276.405 2.672 20 30 CFEDMN C=CCN1CC[C@@H](N(C)[C@H](C)c2ccc(F)cc2)C1=O ZINC000281921574 394094759 /nfs/dbraw/zinc/09/47/59/394094759.db2.gz HHRJDGADWAEDPD-IUODEOHRSA-N 0 1 276.355 2.605 20 30 CFEDMN C=C(C)CN(CC)CC(=O)N(CC(C)C)CC(F)(F)F ZINC000358920491 394115135 /nfs/dbraw/zinc/11/51/35/394115135.db2.gz AHOAVQOAHPVSJH-UHFFFAOYSA-N 0 1 294.361 2.931 20 30 CFEDMN C=CCN1CC[C@@H](N2CCC[C@@H]2c2cccc(F)c2)C1=O ZINC000282046685 394116062 /nfs/dbraw/zinc/11/60/62/394116062.db2.gz RIUGZTWHGCEXNT-HZPDHXFCSA-N 0 1 288.366 2.750 20 30 CFEDMN C=CCN1CC[C@@H](NC(C)(C)c2ccc(F)c(F)c2)C1=O ZINC000282061145 394117974 /nfs/dbraw/zinc/11/79/74/394117974.db2.gz SECZBICBQITHML-CQSZACIVSA-N 0 1 294.345 2.576 20 30 CFEDMN COc1ccc(CNc2cc3c(cn2)CCCC3)cc1C#N ZINC000359470845 394135586 /nfs/dbraw/zinc/13/55/86/394135586.db2.gz WVBALKJKMGZEQJ-UHFFFAOYSA-N 0 1 293.370 2.875 20 30 CFEDMN N#Cc1ccc(F)cc1CN1CCC[C@@H](CCO)CC1 ZINC000421005843 394154069 /nfs/dbraw/zinc/15/40/69/394154069.db2.gz AMPXEGMQRZMFIO-CYBMUJFWSA-N 0 1 276.355 2.682 20 30 CFEDMN CC(C)(C)[C@H]1CCCN([C@H](C(N)=O)c2ccc(C#N)cc2)C1 ZINC000361549678 394174570 /nfs/dbraw/zinc/17/45/70/394174570.db2.gz OYCCTPRHRGKDGN-HOTGVXAUSA-N 0 1 299.418 2.843 20 30 CFEDMN C=C[C@H](CC(=O)N[C@@H](C)c1n[nH]c(C)n1)c1ccccc1 ZINC000286534386 394197706 /nfs/dbraw/zinc/19/77/06/394197706.db2.gz YTSKXZPIVOMPRA-WCQYABFASA-N 0 1 284.363 2.650 20 30 CFEDMN C[C@@H]1CN(c2cc(Cl)ccc2C#N)C[C@H](C)N1C ZINC000135265269 394214834 /nfs/dbraw/zinc/21/48/34/394214834.db2.gz KWOJPXQGSYKTQI-PHIMTYICSA-N 0 1 263.772 2.740 20 30 CFEDMN Cc1ccc(N[C@@H]2CN(C)Cc3ccccc32)nc1C#N ZINC000364988967 394225848 /nfs/dbraw/zinc/22/58/48/394225848.db2.gz YNMHRZPCNABERO-MRXNPFEDSA-N 0 1 278.359 2.860 20 30 CFEDMN C=CCN(CCCNC(C)=O)Cc1ccc(Cl)s1 ZINC000142748983 394247328 /nfs/dbraw/zinc/24/73/28/394247328.db2.gz JFEMHDDGRQFNQB-UHFFFAOYSA-N 0 1 286.828 2.916 20 30 CFEDMN Fc1ccc(C#CCN2CCCO[C@@H]3CCC[C@H]32)cc1 ZINC000366942366 394249792 /nfs/dbraw/zinc/24/97/92/394249792.db2.gz ZMSWCLIVIRLCCK-IAGOWNOFSA-N 0 1 273.351 2.821 20 30 CFEDMN Cc1nc(NC[C@H](c2ccco2)N(C)C)ccc1C#N ZINC000291641197 394251849 /nfs/dbraw/zinc/25/18/49/394251849.db2.gz MNBRNDYMXHSXKI-CYBMUJFWSA-N 0 1 270.336 2.570 20 30 CFEDMN CCCC[N@@H+](CC)Cc1cnc2ccc(C#N)cn12 ZINC000158974198 394362624 /nfs/dbraw/zinc/36/26/24/394362624.db2.gz QGLXDSSSHURFBX-UHFFFAOYSA-N 0 1 256.353 2.828 20 30 CFEDMN CC(C)(C)c1n[nH]c(SCCCSCC#N)n1 ZINC000174012517 394377096 /nfs/dbraw/zinc/37/70/96/394377096.db2.gz NGXNHNGUNFZPMH-UHFFFAOYSA-N 0 1 270.427 2.841 20 30 CFEDMN CC(C)(C)c1nc(SCCCSCC#N)n[nH]1 ZINC000174012517 394377098 /nfs/dbraw/zinc/37/70/98/394377098.db2.gz NGXNHNGUNFZPMH-UHFFFAOYSA-N 0 1 270.427 2.841 20 30 CFEDMN N#Cc1ccc(C2(NCc3cncs3)CCOCC2)cc1 ZINC000527807445 394411087 /nfs/dbraw/zinc/41/10/87/394411087.db2.gz CSVKVCQSUKKFDU-UHFFFAOYSA-N 0 1 299.399 2.810 20 30 CFEDMN N#Cc1csc(CN2CCC(c3c[nH]cn3)CC2)c1 ZINC000536669849 394568704 /nfs/dbraw/zinc/56/87/04/394568704.db2.gz BSSLGPKVPVNGRV-UHFFFAOYSA-N 0 1 272.377 2.722 20 30 CFEDMN COC(=O)c1cccc(CN2C[C@H]3CCC[C@@H]3C2)c1C#N ZINC000535965096 394550883 /nfs/dbraw/zinc/55/08/83/394550883.db2.gz ZEXHMQAQTKZAKG-CHWSQXEVSA-N 0 1 284.359 2.577 20 30 CFEDMN N#Cc1ccc([C@@H](NCCC2=CCCCCC2)C(N)=O)cc1 ZINC000545934525 394809006 /nfs/dbraw/zinc/80/90/06/394809006.db2.gz FKLSVYXDZIBFGO-QGZVFWFLSA-N 0 1 297.402 2.955 20 30 CFEDMN CC(C)n1cc([C@@H](C)NCc2cc(C#N)n(C)c2)cn1 ZINC000558761832 395075891 /nfs/dbraw/zinc/07/58/91/395075891.db2.gz AHDWYAUEPTXIMV-GFCCVEGCSA-N 0 1 271.368 2.525 20 30 CFEDMN C=CCCCCCNC(=O)N1CCN(C)[C@H](C(C)C)C1 ZINC000578140917 395093572 /nfs/dbraw/zinc/09/35/72/395093572.db2.gz WUSGMQCIZCASRG-HNNXBMFYSA-N 0 1 281.444 2.714 20 30 CFEDMN N#CC(C(=O)c1cccnc1)c1nc(C2CC2)cs1 ZINC000647370896 395317835 /nfs/dbraw/zinc/31/78/35/395317835.db2.gz FJYXMLHOZPSEHL-NSHDSACASA-N 0 1 269.329 2.906 20 30 CFEDMN N#C[C@@H](C(=O)c1cccnc1)c1nc(C2CC2)cs1 ZINC000647370896 395317837 /nfs/dbraw/zinc/31/78/37/395317837.db2.gz FJYXMLHOZPSEHL-NSHDSACASA-N 0 1 269.329 2.906 20 30 CFEDMN C[C@@H](CO)C1CCN(CC#Cc2ccc(F)cc2)CC1 ZINC000649799829 395572363 /nfs/dbraw/zinc/57/23/63/395572363.db2.gz FKTFUOHWOGKFDZ-AWEZNQCLSA-N 0 1 275.367 2.518 20 30 CFEDMN COCC#CCN1CCC[C@H]1c1ccc(F)cc1C ZINC000650269564 397740545 /nfs/dbraw/zinc/74/05/45/397740545.db2.gz VXDQKEFWMCUDJK-INIZCTEOSA-N 0 1 261.340 2.921 20 30 CFEDMN C=C(CC)C[N@H+]1C[C@H](C(=O)[O-])C[C@H](C(F)(F)F)C1 ZINC000656757838 413184668 /nfs/dbraw/zinc/18/46/68/413184668.db2.gz UWKXJYUZXLFLDP-ZJUUUORDSA-N 0 1 265.275 2.538 20 30 CFEDMN C=C(C)CC[N@H+]1CC[C@H](C(=O)[O-])[C@H]2CCCC[C@H]21 ZINC000656766647 413194671 /nfs/dbraw/zinc/19/46/71/413194671.db2.gz PGKNYYMVCDBTGO-HZSPNIEDSA-N 0 1 251.370 2.918 20 30 CFEDMN C[C@H]1[C@@H](CO)CCN1Cc1ccc(C#N)cc1C(F)(F)F ZINC000356385538 155248295 /nfs/dbraw/zinc/24/82/95/155248295.db2.gz FGXDSCGKLFNAGF-GXFFZTMASA-N 0 1 298.308 2.780 20 30 CFEDMN C[C@@H]1[C@@H](CO)CCN1Cc1ccc(C#N)cc1C(F)(F)F ZINC000356385544 155248871 /nfs/dbraw/zinc/24/88/71/155248871.db2.gz FGXDSCGKLFNAGF-ZWNOBZJWSA-N 0 1 298.308 2.780 20 30 CFEDMN CC[C@]1(O)CCN(Cc2ccc(C#N)cc2C(F)(F)F)C1 ZINC000356443064 155267318 /nfs/dbraw/zinc/26/73/18/155267318.db2.gz VLISSTQCHACLMW-AWEZNQCLSA-N 0 1 298.308 2.924 20 30 CFEDMN N#Cc1ccc(CNC[C@@H]2OCCc3ccccc32)o1 ZINC000362904726 156110304 /nfs/dbraw/zinc/11/03/04/156110304.db2.gz CRXPDSHTXZYPGN-INIZCTEOSA-N 0 1 268.316 2.555 20 30 CFEDMN C=CCCn1cc(CN(C)CC2CCCCC2)nn1 ZINC000653478973 413322026 /nfs/dbraw/zinc/32/20/26/413322026.db2.gz XWKDUFDQIJHHSE-UHFFFAOYSA-N 0 1 262.401 2.866 20 30 CFEDMN Cc1c([C@H]2CCCN2Cc2cccc(C#N)c2)cnn1C ZINC000367256238 156304626 /nfs/dbraw/zinc/30/46/26/156304626.db2.gz UIIBPPVRWDHCTR-QGZVFWFLSA-N 0 1 280.375 2.937 20 30 CFEDMN N#Cc1ccc(NC(=O)C[N@H+]2CCC[C@H](C3CC3)C2)cc1 ZINC000367307773 156311031 /nfs/dbraw/zinc/31/10/31/156311031.db2.gz LCPMBQCYANLPDA-HNNXBMFYSA-N 0 1 283.375 2.619 20 30 CFEDMN N#Cc1ccc(NC(=O)CN2CCC[C@H](C3CC3)C2)cc1 ZINC000367307773 156311036 /nfs/dbraw/zinc/31/10/36/156311036.db2.gz LCPMBQCYANLPDA-HNNXBMFYSA-N 0 1 283.375 2.619 20 30 CFEDMN C=CCCn1cc(CN2CCC(CC)(CC)C2)nn1 ZINC000653568207 413372488 /nfs/dbraw/zinc/37/24/88/413372488.db2.gz MUSHGKRVIWPIIO-UHFFFAOYSA-N 0 1 262.401 2.866 20 30 CFEDMN C=CCCn1cc(CN2CC[C@@H](C)C[C@H](C)C2)nn1 ZINC000653588856 413385848 /nfs/dbraw/zinc/38/58/48/413385848.db2.gz MMWWEKSRKRQHGL-KGLIPLIRSA-N 0 1 262.401 2.722 20 30 CFEDMN C=CCCn1cc(CN2CC[C@@H](C)C[C@@H](C)C2)nn1 ZINC000653588858 413388111 /nfs/dbraw/zinc/38/81/11/413388111.db2.gz MMWWEKSRKRQHGL-ZIAGYGMSSA-N 0 1 262.401 2.722 20 30 CFEDMN C=CCCn1cc(CN[C@H]2CCCO[C@@H]2CC(C)C)nn1 ZINC000653622480 413409945 /nfs/dbraw/zinc/40/99/45/413409945.db2.gz FULNRSSZNUYAOR-JKSUJKDBSA-N 0 1 292.427 2.538 20 30 CFEDMN C=CCCn1cc(CN[C@H](CC(F)(F)F)C(C)C)nn1 ZINC000653634739 413414099 /nfs/dbraw/zinc/41/40/99/413414099.db2.gz GSFAKNBNFMVXCR-GFCCVEGCSA-N 0 1 290.333 2.921 20 30 CFEDMN N#Cc1csc(CN[C@H](CO)c2ccc(F)cc2)c1 ZINC000344376765 162030106 /nfs/dbraw/zinc/03/01/06/162030106.db2.gz GPMHKXLOGDLQRM-CQSZACIVSA-N 0 1 276.336 2.582 20 30 CFEDMN CCN1C[C@H](C)N(C(=O)Nc2cccc(C#N)c2)C[C@H]1C ZINC000345873989 162268559 /nfs/dbraw/zinc/26/85/59/162268559.db2.gz KNOAWDLQRMSFNE-OLZOCXBDSA-N 0 1 286.379 2.505 20 30 CFEDMN CN(CCc1ccccc1O)Cc1cc(C#N)cs1 ZINC000346382147 162399546 /nfs/dbraw/zinc/39/95/46/162399546.db2.gz TTZSEOSWBGATIV-UHFFFAOYSA-N 0 1 272.373 3.000 20 30 CFEDMN Cc1noc(C)c1[C@H](C)CNCc1nc(C#N)cs1 ZINC000352810848 163238651 /nfs/dbraw/zinc/23/86/51/163238651.db2.gz OSOHNNLRJIGRPY-MRVPVSSYSA-N 0 1 276.365 2.513 20 30 CFEDMN Cc1ccc(O[C@@H](C)CNCc2nc(C#N)cs2)cc1 ZINC000352831410 163245620 /nfs/dbraw/zinc/24/56/20/163245620.db2.gz GZHQFXGHBVZWJA-LBPRGKRZSA-N 0 1 287.388 2.880 20 30 CFEDMN CC(C)O[C@H]1C[C@H](NCc2nc(C#N)cs2)C1(C)C ZINC000352863635 163255231 /nfs/dbraw/zinc/25/52/31/163255231.db2.gz VTNIGQWTMDZQJE-RYUDHWBXSA-N 0 1 279.409 2.696 20 30 CFEDMN COc1cc(CNCc2scnc2C)ccc1C#N ZINC000353223765 163319749 /nfs/dbraw/zinc/31/97/49/163319749.db2.gz UCLSYHJTDMLODP-UHFFFAOYSA-N 0 1 273.361 2.622 20 30 CFEDMN C#CCN[C@H](c1cncc(Br)c1)C1CC1 ZINC000284685080 196112612 /nfs/dbraw/zinc/11/26/12/196112612.db2.gz HPQKQPKIFXSUBF-LBPRGKRZSA-N 0 1 265.154 2.518 20 30 CFEDMN N#Cc1ccc(F)c(CSc2nc(C3CC3)n[nH]2)c1 ZINC000022546253 171390892 /nfs/dbraw/zinc/39/08/92/171390892.db2.gz YPQARPIBHMOOQI-UHFFFAOYSA-N 0 1 274.324 2.985 20 30 CFEDMN N#Cc1ccc(F)c(CSc2n[nH]c(C3CC3)n2)c1 ZINC000022546253 171390893 /nfs/dbraw/zinc/39/08/93/171390893.db2.gz YPQARPIBHMOOQI-UHFFFAOYSA-N 0 1 274.324 2.985 20 30 CFEDMN C=C(C)COCCNCc1cc(OC)c(OC)cc1F ZINC000651734355 413602973 /nfs/dbraw/zinc/60/29/73/413602973.db2.gz IEJMHUSALGPCKF-UHFFFAOYSA-N 0 1 283.343 2.525 20 30 CFEDMN C=CC[C@@H]1CC[C@H](NCc2nnc(CC)s2)C1 ZINC000651813927 413654968 /nfs/dbraw/zinc/65/49/68/413654968.db2.gz CXZYPWNWDSQGMB-MNOVXSKESA-N 0 1 251.399 2.935 20 30 CFEDMN C=CCC1(CNC(=O)[C@@H]2CCCCN2C)CCCC1 ZINC000654083965 413687178 /nfs/dbraw/zinc/68/71/78/413687178.db2.gz VVVLWLFKIIIZOV-AWEZNQCLSA-N 0 1 264.413 2.723 20 30 CFEDMN C=CCC1(NC(=O)N[C@@H]2CCCc3cn[nH]c32)CCCC1 ZINC000664471241 413791688 /nfs/dbraw/zinc/79/16/88/413791688.db2.gz RFGKQPDZYRXEPY-CYBMUJFWSA-N 0 1 288.395 2.975 20 30 CFEDMN C=CC[C@H]1CCCN(C(=O)N[C@@H]2CCCc3cn[nH]c32)C1 ZINC000664471519 413791948 /nfs/dbraw/zinc/79/19/48/413791948.db2.gz UAZLYGKEWURQQQ-GXTWGEPZSA-N 0 1 288.395 2.785 20 30 CFEDMN COc1ccc(C(=O)CCN2CCC[C@H](CC#N)C2)cc1 ZINC000661153452 413789236 /nfs/dbraw/zinc/78/92/36/413789236.db2.gz KEXCZZRSZBKIPE-CQSZACIVSA-N 0 1 286.375 2.894 20 30 CFEDMN C=CCN(Cc1ccc(Cl)cn1)[C@H](C)COC ZINC000661239359 413840222 /nfs/dbraw/zinc/84/02/22/413840222.db2.gz KOPUTUZTADKHRQ-LLVKDONJSA-N 0 1 254.761 2.758 20 30 CFEDMN C=CC[C@@H]1CCCC[C@@H]1[NH2+]Cc1nnc([C@@H]2CCCO2)[n-]1 ZINC000658046128 414131601 /nfs/dbraw/zinc/13/16/01/414131601.db2.gz KFEIHFJOPYGZHK-RDBSUJKOSA-N 0 1 290.411 2.881 20 30 CFEDMN C=CCC[C@H](NCC1(S(=O)(=O)CC)CC1)c1ccco1 ZINC000658303014 414360988 /nfs/dbraw/zinc/36/09/88/414360988.db2.gz UACWUMZUYYCYMN-ZDUSSCGKSA-N 0 1 297.420 2.844 20 30 CFEDMN C=CC[C@@H]1CCCC[C@H]1NC(=O)N[C@@H](C)c1n[nH]c(C)n1 ZINC000665387234 414318070 /nfs/dbraw/zinc/31/80/70/414318070.db2.gz KMXUZIBGQZHRIR-CYZMBNFOSA-N 0 1 291.399 2.608 20 30 CFEDMN C=CC[C@@H]1CCCC[C@@H]1NC(=O)N[C@@H](C)c1n[nH]c(C)n1 ZINC000665387237 414318346 /nfs/dbraw/zinc/31/83/46/414318346.db2.gz KMXUZIBGQZHRIR-UHTWSYAYSA-N 0 1 291.399 2.608 20 30 CFEDMN C[C@H]1CN(CC#Cc2cccc(Cl)c2)C[C@@]1(C)CO ZINC000662141282 414428535 /nfs/dbraw/zinc/42/85/35/414428535.db2.gz FWIIKUHEDAVRJV-BBRMVZONSA-N 0 1 277.795 2.642 20 30 CFEDMN C=CCCn1cc(C[N@@H+](CCC2CC2)CC2CC2)nn1 ZINC000662180271 414446655 /nfs/dbraw/zinc/44/66/55/414446655.db2.gz QBFGMCXNPAXNPF-UHFFFAOYSA-N 0 1 274.412 2.866 20 30 CFEDMN C=CCCn1cc(CN(CCC2CC2)CC2CC2)nn1 ZINC000662180271 414446659 /nfs/dbraw/zinc/44/66/59/414446659.db2.gz QBFGMCXNPAXNPF-UHFFFAOYSA-N 0 1 274.412 2.866 20 30 CFEDMN C=C1C[C@H]2CC[C@@H](C1)N2Cc1nc(-c2ccccn2)no1 ZINC000662081028 414398970 /nfs/dbraw/zinc/39/89/70/414398970.db2.gz SEMUGPPMIVJPLD-BETUJISGSA-N 0 1 282.347 2.815 20 30 CFEDMN C=CCC[C@H](O)C[N@H+]1[C@H](C(=O)[O-])CC[C@H]1c1ccccc1 ZINC000659794820 414557247 /nfs/dbraw/zinc/55/72/47/414557247.db2.gz XQUPXGGEQSCOLK-JYJNAYRXSA-N 0 1 289.375 2.604 20 30 CFEDMN N#Cc1ccccc1C[N@@H+]1CCC[C@@H](CCC(=O)[O-])C1 ZINC000043585439 175070916 /nfs/dbraw/zinc/07/09/16/175070916.db2.gz MSMKXPMPEBXTKT-ZDUSSCGKSA-N 0 1 272.348 2.635 20 30 CFEDMN C[C@@H](C(=O)N(C)CCC#N)N1CCC(c2ccccc2)CC1 ZINC000078803812 177390541 /nfs/dbraw/zinc/39/05/41/177390541.db2.gz DLAQLKWSHIEAJT-HNNXBMFYSA-N 0 1 299.418 2.627 20 30 CFEDMN COc1cc([C@H](C)NCC#Cc2ccc(F)cc2)ccn1 ZINC000347649425 226226017 /nfs/dbraw/zinc/22/60/17/226226017.db2.gz QACOZAVKNHCEJP-ZDUSSCGKSA-N 0 1 284.334 2.932 20 30 CFEDMN Cc1ccncc1CCCN(C[C@@H](C)C#N)C1CC1 ZINC000347862083 226386209 /nfs/dbraw/zinc/38/62/09/226386209.db2.gz VEETVLLMZWQHEF-ZDUSSCGKSA-N 0 1 257.381 2.947 20 30 CFEDMN C=C[C@@H]1CCCCN1c1nc(C(F)(F)F)nc2[nH]cnc21 ZINC000575185466 335077429 /nfs/dbraw/zinc/07/74/29/335077429.db2.gz MMYVTCOPOWKYLG-MRVPVSSYSA-N 0 1 297.284 2.917 20 30 CFEDMN C[C@@H](NCCC1(C#N)CCCCC1)c1ccn(C)n1 ZINC000411816966 262706959 /nfs/dbraw/zinc/70/69/59/262706959.db2.gz ILWISULYNZMZAV-CYBMUJFWSA-N 0 1 260.385 2.935 20 30 CFEDMN CCn1cc(C(=O)C(C#N)c2ccncn2)c2ccccc21 ZINC000354470408 227007106 /nfs/dbraw/zinc/00/71/06/227007106.db2.gz RLBMZSORBWDMDX-CYBMUJFWSA-N 0 1 290.326 2.941 20 30 CFEDMN Cc1n[nH]c(CCNC(=O)[C@@]2(C)CCc3ccccc3C2)n1 ZINC000329083591 227288668 /nfs/dbraw/zinc/28/86/68/227288668.db2.gz FIDIEUIFAKFGRM-KRWDZBQOSA-N 0 1 298.390 2.807 20 30 CFEDMN C[C@]1(NC(=O)c2cc(F)cc3nc[nH]c32)CCCOC1 ZINC000329165898 227335580 /nfs/dbraw/zinc/33/55/80/227335580.db2.gz HRIALRRHWZBYAE-AWEZNQCLSA-N 0 1 277.299 2.576 20 30 CFEDMN Cc1ccc2c(c1)CC[C@@H](C(=O)NCc1cnc[nH]1)O2 ZINC000330021642 228018467 /nfs/dbraw/zinc/01/84/67/228018467.db2.gz YDZVRVVDXWRNPW-AWEZNQCLSA-N 0 1 271.320 2.568 20 30 CFEDMN O=C(NC[C@H]1CC=CCC1)c1csc(=NC2CC2)[nH]1 ZINC000330115836 228042532 /nfs/dbraw/zinc/04/25/32/228042532.db2.gz ULMOQTYXUFHXRZ-JTQLQIEISA-N 0 1 277.393 2.800 20 30 CFEDMN O=C(NCc1nc2ccc(F)cc2[nH]1)C1CCC(=O)CC1 ZINC000330163745 228054236 /nfs/dbraw/zinc/05/42/36/228054236.db2.gz VJUCHPZYHZLNBW-UHFFFAOYSA-N 0 1 289.310 2.918 20 30 CFEDMN CCOc1ncccc1CNC(=O)[C@H]1CCCN1C1CC1 ZINC000330272597 228087967 /nfs/dbraw/zinc/08/79/67/228087967.db2.gz XUCVVZWNYQCGPU-CQSZACIVSA-N 0 1 289.379 2.564 20 30 CFEDMN C[C@@H]1C[C@]1(C#N)C(=O)Nc1ccc2nc(C(F)F)[nH]c2c1 ZINC000336188368 228208812 /nfs/dbraw/zinc/20/88/12/228208812.db2.gz DKFAHZCAPUTNPT-NXSYQRQQSA-N 0 1 290.273 2.989 20 30 CFEDMN C#C[C@H](C)N(C)Cc1ccc(Br)s1 ZINC000306801823 260127873 /nfs/dbraw/zinc/12/78/73/260127873.db2.gz SAFRAJZIWNJNGK-QMMMGPOBSA-N 0 1 258.184 2.964 20 30 CFEDMN C[C@H](C(=O)Nc1cccc(C#N)c1)[N@H+]1CCC(C)(C)C1 ZINC000072828251 260164821 /nfs/dbraw/zinc/16/48/21/260164821.db2.gz XRWRNKDFLKQVPZ-GFCCVEGCSA-N 0 1 271.364 2.617 20 30 CFEDMN C[C@H](C(=O)Nc1cccc(C#N)c1)N1CCC(C)(C)C1 ZINC000072828251 260164822 /nfs/dbraw/zinc/16/48/22/260164822.db2.gz XRWRNKDFLKQVPZ-GFCCVEGCSA-N 0 1 271.364 2.617 20 30 CFEDMN CCN(CC)CC(=O)N(CCC#N)c1ccc(C)c(C)c1 ZINC000073153937 260280099 /nfs/dbraw/zinc/28/00/99/260280099.db2.gz QXXOPYDCVFCXSG-UHFFFAOYSA-N 0 1 287.407 2.892 20 30 CFEDMN C=C(CC)CNCc1c(OC)cc(OC)cc1OC ZINC000313485717 260298299 /nfs/dbraw/zinc/29/82/99/260298299.db2.gz TXAPWAAERABXEQ-UHFFFAOYSA-N 0 1 265.353 2.768 20 30 CFEDMN CCO[C@@H]1C[C@@H](N(C)Cc2ccc(C#N)cn2)C12CCC2 ZINC000517956855 260328858 /nfs/dbraw/zinc/32/88/58/260328858.db2.gz KNEGABIEBNBZKS-HZPDHXFCSA-N 0 1 285.391 2.733 20 30 CFEDMN Cc1nnc(NC(=O)[C@H]2CSc3ccccc32)[nH]1 ZINC000083774588 260356181 /nfs/dbraw/zinc/35/61/81/260356181.db2.gz UTJFJOKXTARQRW-VIFPVBQESA-N 0 1 260.322 2.591 20 30 CFEDMN C=C(C)COCCN[C@@H](C)c1nc2ccccc2n1C ZINC000091397705 260443119 /nfs/dbraw/zinc/44/31/19/260443119.db2.gz IGDDZAODXNKKAK-ZDUSSCGKSA-N 0 1 273.380 2.817 20 30 CFEDMN CCN(CCC#N)C(=O)c1cc(-c2ccc(F)cc2)[nH]n1 ZINC000103208890 260610628 /nfs/dbraw/zinc/61/06/28/260610628.db2.gz IHNPHVUPOSEQTA-UHFFFAOYSA-N 0 1 286.310 2.592 20 30 CFEDMN C#CCN(C(=O)c1cccc2n[nH]cc21)C1CCCC1 ZINC000490830368 261217962 /nfs/dbraw/zinc/21/79/62/261217962.db2.gz JMKIQNHHUUUTOJ-UHFFFAOYSA-N 0 1 267.332 2.581 20 30 CFEDMN Cc1ccc(CN(CCO)Cc2ccc(CC#N)cc2)o1 ZINC000361511491 261309724 /nfs/dbraw/zinc/30/97/24/261309724.db2.gz SFKUQETZTFAZSP-UHFFFAOYSA-N 0 1 284.359 2.649 20 30 CFEDMN C[C@@H]1CSCCN(CC#Cc2ccc(F)cc2)C1 ZINC000190464981 262183323 /nfs/dbraw/zinc/18/33/23/262183323.db2.gz MBXPOWDKUNEKKJ-ZDUSSCGKSA-N 0 1 263.381 2.862 20 30 CFEDMN COc1ccc2c(c1)nc(CN[C@@H]1CCC[C@H](C#N)C1)n2C ZINC000193301170 262220199 /nfs/dbraw/zinc/22/01/99/262220199.db2.gz IEHGNUHMASKXPT-QWHCGFSZSA-N 0 1 298.390 2.754 20 30 CFEDMN CC(C)(C)N1CC[C@@](F)(C(=O)NC2(C#N)CCCCC2)C1 ZINC000367700417 262261901 /nfs/dbraw/zinc/26/19/01/262261901.db2.gz BWVCPHSWLAZOPT-INIZCTEOSA-N 0 1 295.402 2.542 20 30 CFEDMN CC(C)[C@@](C)(C#N)NC(=O)CN1CCC(C)(C(C)C)CC1 ZINC000186200429 262311349 /nfs/dbraw/zinc/31/13/49/262311349.db2.gz YZMZNUPGXFPEMQ-QGZVFWFLSA-N 0 1 293.455 2.799 20 30 CFEDMN C=CCN(CCC[C@H](C)O)Cc1cccc([N+](=O)[O-])c1 ZINC000354858561 262314253 /nfs/dbraw/zinc/31/42/53/262314253.db2.gz CLDNWIQVLKCGHF-ZDUSSCGKSA-N 0 1 278.352 2.744 20 30 CFEDMN N#CCC[C@H](C#N)CNC[C@H]1CCCCC1(F)F ZINC000521412868 262315952 /nfs/dbraw/zinc/31/59/52/262315952.db2.gz NOANBUIVDFZLLR-VXGBXAGGSA-N 0 1 255.312 2.845 20 30 CFEDMN C[C@H](O)CCN1CCC[C@@H]1[C@@H](C#N)c1ccccc1 ZINC000336804961 262395680 /nfs/dbraw/zinc/39/56/80/262395680.db2.gz OPKXMZIVFAJROX-CWRNSKLLSA-N 0 1 258.365 2.529 20 30 CFEDMN C=CCN1CC[C@@H](N(CC)[C@@H](C)c2ccc(F)cc2)C1=O ZINC000337122505 262422348 /nfs/dbraw/zinc/42/23/48/262422348.db2.gz BHUWILYWZQRXTA-XJKSGUPXSA-N 0 1 290.382 2.996 20 30 CFEDMN C[C@@H](NCc1cccc(OCCCC#N)c1)c1cn[nH]c1 ZINC000339790324 262673732 /nfs/dbraw/zinc/67/37/32/262673732.db2.gz RMGCKJHMGQKRRB-CYBMUJFWSA-N 0 1 284.363 2.943 20 30 CFEDMN C[C@@H](C#N)CN(C)Cc1cnc(-c2ccccc2)[nH]1 ZINC000271130793 262993316 /nfs/dbraw/zinc/99/33/16/262993316.db2.gz OKZQFAGYLTWZMG-LBPRGKRZSA-N 0 1 254.337 2.668 20 30 CFEDMN CCc1nc([C@H](C)N[C@H](C)c2ccc(OCC#N)cc2)n[nH]1 ZINC000271827268 263000004 /nfs/dbraw/zinc/00/00/04/263000004.db2.gz DFEWHABHTPJCHZ-NEPJUHHUSA-N 0 1 299.378 2.681 20 30 CFEDMN CN(CCC(C)(C)C#N)C[C@@H]1COc2ccccc2O1 ZINC000271987913 263000939 /nfs/dbraw/zinc/00/09/39/263000939.db2.gz DBPTXKYJSMNBJC-CYBMUJFWSA-N 0 1 274.364 2.698 20 30 CFEDMN COC(=O)c1ccc2c(c1)CN(CCC(C)(C)C#N)CC2 ZINC000272008492 263001067 /nfs/dbraw/zinc/00/10/67/263001067.db2.gz JUIJQXNDUWKBPW-UHFFFAOYSA-N 0 1 286.375 2.771 20 30 CFEDMN CC(=O)c1ccc(O)c(NC(=O)C2(C#N)CCCC2)c1 ZINC000272238557 263002946 /nfs/dbraw/zinc/00/29/46/263002946.db2.gz MXFHBYRKTCWPNG-UHFFFAOYSA-N 0 1 272.304 2.617 20 30 CFEDMN CC(C)(C)[C@@H]1CCN(Cc2ccc(C#N)cc2F)C[C@@H]1O ZINC000272357373 263003411 /nfs/dbraw/zinc/00/34/11/263003411.db2.gz RQAWTKBWHCCWKL-ZBFHGGJFSA-N 0 1 290.382 2.926 20 30 CFEDMN COCC[C@H](NCCC(C)(C)C#N)c1ccco1 ZINC000273302637 263015142 /nfs/dbraw/zinc/01/51/42/263015142.db2.gz ROFUQALWZSFOPG-LBPRGKRZSA-N 0 1 250.342 2.887 20 30 CFEDMN Cn1c(CNCCCC#N)nc2ccc(Cl)cc21 ZINC000273106507 263012626 /nfs/dbraw/zinc/01/26/26/263012626.db2.gz WOYRZQZKUJAHBG-UHFFFAOYSA-N 0 1 262.744 2.620 20 30 CFEDMN C=CCCOCCCCc1nc(C2(N)CCCC2)no1 ZINC000414620029 263013184 /nfs/dbraw/zinc/01/31/84/263013184.db2.gz OYNSLDNWUMYJBS-UHFFFAOYSA-N 0 1 279.384 2.713 20 30 CFEDMN N#CC1(c2nc(-c3ccc4[nH]cnc4c3)no2)CCC1 ZINC000274052982 263021119 /nfs/dbraw/zinc/02/11/19/263021119.db2.gz XGXMRDHCGCSACZ-UHFFFAOYSA-N 0 1 265.276 2.558 20 30 CFEDMN CC(C)(C#N)CCCCN(CC(N)=O)Cc1ccccc1 ZINC000277636631 263042725 /nfs/dbraw/zinc/04/27/25/263042725.db2.gz HHUGUEBAEUHOKA-UHFFFAOYSA-N 0 1 287.407 2.694 20 30 CFEDMN C[C@H](CCC#N)Sc1nc(-c2ccccc2O)n[nH]1 ZINC000277999951 263045167 /nfs/dbraw/zinc/04/51/67/263045167.db2.gz OCQPHHJKMGPUTR-SECBINFHSA-N 0 1 274.349 2.962 20 30 CFEDMN COc1ccc(CN(C)[C@H]2CC[C@H](C#N)C2)c(OC)c1 ZINC000278763472 263050781 /nfs/dbraw/zinc/05/07/81/263050781.db2.gz XYRQOQIGSKQJRQ-JSGCOSHPSA-N 0 1 274.364 2.828 20 30 CFEDMN C=C(C)CCN1CCc2c(nnn2-c2ccccc2)C1 ZINC000366607795 263071662 /nfs/dbraw/zinc/07/16/62/263071662.db2.gz DPPNPJBHGREYNA-UHFFFAOYSA-N 0 1 268.364 2.592 20 30 CFEDMN N#CC1CCC(CNC(=O)c2n[nH]c3ccccc32)CC1 ZINC000281818481 263072211 /nfs/dbraw/zinc/07/22/11/263072211.db2.gz MSQHBLKMNCJLDK-UHFFFAOYSA-N 0 1 282.347 2.623 20 30 CFEDMN Cc1cc([C@H]2CCCN(C(=O)C3(C#N)CCCC3)C2)n[nH]1 ZINC000282380378 263076357 /nfs/dbraw/zinc/07/63/57/263076357.db2.gz CVGNFAQKWHHGOO-ZDUSSCGKSA-N 0 1 286.379 2.508 20 30 CFEDMN C=C(CN[C@@H](c1nnc[nH]1)c1cccnc1)c1ccccc1 ZINC000340206848 263093091 /nfs/dbraw/zinc/09/30/91/263093091.db2.gz PADNNUGJMSYYLW-MRXNPFEDSA-N 0 1 291.358 2.592 20 30 CFEDMN CCCC(C#N)(CCC)NC(=O)c1ccc2cncn2c1 ZINC000285649390 263094665 /nfs/dbraw/zinc/09/46/65/263094665.db2.gz ZPWRDHCVEBUUPM-UHFFFAOYSA-N 0 1 284.363 2.927 20 30 CFEDMN N#CC1(CCCN2CCC[C@H]2c2cc[nH]n2)CCOCC1 ZINC000286197566 263097451 /nfs/dbraw/zinc/09/74/51/263097451.db2.gz PXEJDHMIOSFEOT-HNNXBMFYSA-N 0 1 288.395 2.647 20 30 CFEDMN Cc1cn[nH]c1CNc1ccccc1O[C@@H](C)C#N ZINC000289627007 263111155 /nfs/dbraw/zinc/11/11/55/263111155.db2.gz WSWDBYGAERAIIV-NSHDSACASA-N 0 1 256.309 2.621 20 30 CFEDMN CCc1ccc([C@@H](C#N)NC(=O)C(F)(F)C(F)F)cc1 ZINC000290130162 263114712 /nfs/dbraw/zinc/11/47/12/263114712.db2.gz GZTSFCBEYLXNBY-SNVBAGLBSA-N 0 1 288.244 2.830 20 30 CFEDMN C=CCN(CCC#N)Cc1cccc(Cl)c1O ZINC000292717145 263134174 /nfs/dbraw/zinc/13/41/74/263134174.db2.gz DUOMLXYXNMSKPP-UHFFFAOYSA-N 0 1 250.729 2.947 20 30 CFEDMN Cc1ccc2c(c1)CN([C@@H]1CC[C@H](C#N)C1)CCO2 ZINC000293569372 263143422 /nfs/dbraw/zinc/14/34/22/263143422.db2.gz MWOWYSQPISCUOQ-DZGCQCFKSA-N 0 1 256.349 2.882 20 30 CFEDMN CC[C@H]1CN(CC2(C#N)CC2)CCN1Cc1ccccc1 ZINC000353572551 263178062 /nfs/dbraw/zinc/17/80/62/263178062.db2.gz SJWAHSZPWQUCCC-KRWDZBQOSA-N 0 1 283.419 2.887 20 30 CFEDMN C=C[C@H](CO)N[C@H](C)c1oc2ccc(OC)cc2c1C ZINC000353581057 263194116 /nfs/dbraw/zinc/19/41/16/263194116.db2.gz YIESWQJGEUTWCB-VXGBXAGGSA-N 0 1 275.348 2.947 20 30 CFEDMN C=C(C)CN(CC)[C@H](C)C(=O)NC1(C#N)CCCCC1 ZINC000298683335 263223942 /nfs/dbraw/zinc/22/39/42/263223942.db2.gz VAQBKGUSUSSDAZ-CQSZACIVSA-N 0 1 277.412 2.616 20 30 CFEDMN C=C[C@@H](CC(=O)N1C[C@H]2CCC[C@@H](C1)N2)c1ccccc1 ZINC000163847846 263261262 /nfs/dbraw/zinc/26/12/62/263261262.db2.gz WHTYXPBZVBFEPW-BHYGNILZSA-N 0 1 284.403 2.699 20 30 CFEDMN C=CCC(CC=C)C(=O)Nc1cc(-c2nccn2C)n[nH]1 ZINC000119699605 263275828 /nfs/dbraw/zinc/27/58/28/263275828.db2.gz DIOOPLBETUSHBI-UHFFFAOYSA-N 0 1 285.351 2.517 20 30 CFEDMN C=C(CC)CNC(=O)NC[C@@H](c1ccsc1)N(C)C ZINC000454236238 263297367 /nfs/dbraw/zinc/29/73/67/263297367.db2.gz IKRZPEBDYWIWNF-ZDUSSCGKSA-N 0 1 281.425 2.616 20 30 CFEDMN C=CCCC[C@H](C)N1CCN(C(=O)c2ccccn2)CC1 ZINC000340865383 263309810 /nfs/dbraw/zinc/30/98/10/263309810.db2.gz DPXCLTPRLQSTAS-HNNXBMFYSA-N 0 1 287.407 2.584 20 30 CFEDMN CC#CCN(C)C(=O)[C@H]1CCCCN1Cc1ccccc1 ZINC000341048409 263319348 /nfs/dbraw/zinc/31/93/48/263319348.db2.gz TWANQDFZIJUCPW-QGZVFWFLSA-N 0 1 284.403 2.523 20 30 CFEDMN CCN1CCN(C(=O)C[C@H](CC#N)c2ccccc2)[C@H](C)C1 ZINC000341788170 263351682 /nfs/dbraw/zinc/35/16/82/263351682.db2.gz JGAWRJCAHFMKJA-WBVHZDCISA-N 0 1 299.418 2.627 20 30 CFEDMN C#Cc1ccc(NC(=O)N[C@H](C)c2n[nH]c(C(C)C)n2)cc1 ZINC000934933207 649857797 /nfs/dbraw/zinc/85/77/97/649857797.db2.gz OZIYGAPZXMZEFP-LLVKDONJSA-N 0 1 297.362 2.792 20 30 CFEDMN CC(C)[NH+]=C([O-])N(C)c1ccc(OC[C@H]2CCOC2)cc1 ZINC000330880472 264061578 /nfs/dbraw/zinc/06/15/78/264061578.db2.gz MVTVMEJESREQRL-ZDUSSCGKSA-N 0 1 292.379 2.861 20 30 CFEDMN Cc1cccc(C)c1[C@H](C)NC(=O)N[C@@H](C)c1nnc[nH]1 ZINC000330850952 264068075 /nfs/dbraw/zinc/06/80/75/264068075.db2.gz FCETXPNKGLUDNW-RYUDHWBXSA-N 0 1 287.367 2.747 20 30 CFEDMN CC1(C)CC[C@H](CNC(=O)c2cc(O)cc([N+](=O)[O-])c2)O1 ZINC000331194931 264158515 /nfs/dbraw/zinc/15/85/15/264158515.db2.gz RMGIALNWYWJXER-GFCCVEGCSA-N 0 1 294.307 2.563 20 30 CFEDMN Cc1cc(C)c([NH+]=C([O-])N[C@@H](C)Cn2ccnc2)c(C)n1 ZINC000331250351 264180929 /nfs/dbraw/zinc/18/09/29/264180929.db2.gz YMAKKSLJLOHOJP-LBPRGKRZSA-N 0 1 287.367 2.618 20 30 CFEDMN C=C[C@@](C)(CC)C(=O)N1CCN([C@H](C)CC)CC1 ZINC000456538223 264250260 /nfs/dbraw/zinc/25/02/60/264250260.db2.gz XDEOZAYZUFBQQT-HIFRSBDPSA-N 0 1 252.402 2.531 20 30 CFEDMN C=C[C@H](C)NCc1cc2c(cc1Br)OCO2 ZINC000130459825 264352730 /nfs/dbraw/zinc/35/27/30/264352730.db2.gz ZWYHRBNGTGDBTN-QMMMGPOBSA-N 0 1 284.153 2.842 20 30 CFEDMN CCN(C[C@H](C)C#N)C(=O)c1cc(-c2cccs2)[nH]n1 ZINC000343288204 264368045 /nfs/dbraw/zinc/36/80/45/264368045.db2.gz WBUXFSKZAUXRFN-SNVBAGLBSA-N 0 1 288.376 2.760 20 30 CFEDMN C=C[C@](C)(CC)C(=O)NCCN1CCc2ccccc2C1 ZINC000190103781 264392374 /nfs/dbraw/zinc/39/23/74/264392374.db2.gz BXXXEJVLLOYUTI-GOSISDBHSA-N 0 1 286.419 2.763 20 30 CFEDMN N#Cc1csc(CNCc2cccc(C#N)c2)c1 ZINC000093492318 264879772 /nfs/dbraw/zinc/87/97/72/264879772.db2.gz JWORWZPZUAHZRK-UHFFFAOYSA-N 0 1 253.330 2.781 20 30 CFEDMN C#CCC(C)(C)C(=O)NC[C@@H](c1ccc(F)cc1)N(C)C ZINC000185229811 265011140 /nfs/dbraw/zinc/01/11/40/265011140.db2.gz UTNMSLQUIIFSOA-HNNXBMFYSA-N 0 1 290.382 2.594 20 30 CFEDMN N#CCN(CC#N)C(=O)c1cc(Cl)c2ccccc2c1O ZINC000094077262 265216036 /nfs/dbraw/zinc/21/60/36/265216036.db2.gz JACZEVMLMBKBJA-UHFFFAOYSA-N 0 1 299.717 2.688 20 30 CFEDMN N#CC1(CSc2nc(-c3cccnc3)n[nH]2)CCC1 ZINC000519310914 265389949 /nfs/dbraw/zinc/38/99/49/265389949.db2.gz CNRYGXNGBZEMEN-UHFFFAOYSA-N 0 1 271.349 2.653 20 30 CFEDMN N#CCCCCNC(=O)c1cccc(Br)c1O ZINC000519333893 265398107 /nfs/dbraw/zinc/39/81/07/265398107.db2.gz LQFGCYJXEYSSDQ-UHFFFAOYSA-N 0 1 297.152 2.578 20 30 CFEDMN CCN(CC(=O)N[C@](C)(C#N)C1CC1)Cc1ccc(C)cc1 ZINC000519917863 265656477 /nfs/dbraw/zinc/65/64/77/265656477.db2.gz NUIJWPVIIUIBHR-GOSISDBHSA-N 0 1 299.418 2.625 20 30 CFEDMN C=CCOCCC[N@@H+]1C[C@H](C2CCCCC2)C[C@H]1C(=O)[O-] ZINC000514617810 266020176 /nfs/dbraw/zinc/02/01/76/266020176.db2.gz YNKQYSGEIBIBGV-CVEARBPZSA-N 0 1 295.423 2.935 20 30 CFEDMN CCCCNC(=O)CN(CC)[C@@H](C)c1ccc(C#N)cc1 ZINC000193760620 266035202 /nfs/dbraw/zinc/03/52/02/266035202.db2.gz IUPBKUFJTKHCCP-AWEZNQCLSA-N 0 1 287.407 2.857 20 30 CFEDMN C=CCOc1ccccc1CN[C@@H]1C[C@H](OCC)[C@@H]1OC ZINC000361164968 266794423 /nfs/dbraw/zinc/79/44/23/266794423.db2.gz HRMSECGFLDIMNB-HYVNUMGLSA-N 0 1 291.391 2.533 20 30 CFEDMN C=C[C@@H](C)NC(=O)NC[C@@H](c1ccco1)N1CCCCC1 ZINC000362656530 267030711 /nfs/dbraw/zinc/03/07/11/267030711.db2.gz RIRVUKJHIKPMTM-KGLIPLIRSA-N 0 1 291.395 2.680 20 30 CFEDMN CC[C@@H](C)[C@@H](C)NCc1c(C#N)cccc1[N+](=O)[O-] ZINC000459381526 267186296 /nfs/dbraw/zinc/18/62/96/267186296.db2.gz CMMJWVKNKYGQDE-GHMZBOCLSA-N 0 1 261.325 2.991 20 30 CFEDMN C=C(Br)CN1CCC[C@@H](c2cc(C)n[nH]2)C1 ZINC000368663136 267196403 /nfs/dbraw/zinc/19/64/03/267196403.db2.gz NAEXELCBXWHXGX-LLVKDONJSA-N 0 1 284.201 2.806 20 30 CFEDMN C#CCCCCNC(=O)[C@H]1CCc2[nH]c(C(C)C)nc2C1 ZINC000368725953 267199134 /nfs/dbraw/zinc/19/91/34/267199134.db2.gz AENHWOKWTAMAKE-ZDUSSCGKSA-N 0 1 287.407 2.558 20 30 CFEDMN C#CCCN[C@@H](c1cnn(C)c1)c1ccc(F)c(Cl)c1 ZINC000368792500 267204756 /nfs/dbraw/zinc/20/47/56/267204756.db2.gz PEEQALOYQSVNTN-OAHLLOKOSA-N 0 1 291.757 2.915 20 30 CFEDMN CCn1cc(CN(C)CCCOc2cccc(C#N)c2)cn1 ZINC000532168803 267251567 /nfs/dbraw/zinc/25/15/67/267251567.db2.gz ZNOQAQWFCGKTII-UHFFFAOYSA-N 0 1 298.390 2.676 20 30 CFEDMN C=CCCCCCN1CCOC[C@H]1[C@H]1CCCC1=O ZINC000369692830 267260094 /nfs/dbraw/zinc/26/00/94/267260094.db2.gz OUGKXQFYAJKSMG-CABCVRRESA-N 0 1 265.397 2.803 20 30 CFEDMN Cn1nccc1CCN1CCC[C@@H]1[C@@H](C#N)c1ccccc1 ZINC000370325731 267309963 /nfs/dbraw/zinc/30/99/63/267309963.db2.gz LXJFUNXYTIDMPE-ZWKOTPCHSA-N 0 1 294.402 2.734 20 30 CFEDMN CC#CCN[C@H](C)c1cnn(-c2ccc(F)cc2)c1C ZINC000119408531 267333775 /nfs/dbraw/zinc/33/37/75/267333775.db2.gz ADIRDHPLXBFIRX-GFCCVEGCSA-N 0 1 271.339 2.994 20 30 CFEDMN C=CCN(CC)[C@H](C)C(=O)N1CCc2sccc2C1 ZINC000371225992 267374323 /nfs/dbraw/zinc/37/43/23/267374323.db2.gz PHFAGNVGFDADRX-GFCCVEGCSA-N 0 1 278.421 2.529 20 30 CFEDMN C=CCCCCCCCCNC(=O)[C@@H]1C[C@@H]1c1nc[nH]n1 ZINC000377088538 268046255 /nfs/dbraw/zinc/04/62/55/268046255.db2.gz JWWCAIYWWJCWHX-UONOGXRCSA-N 0 1 290.411 2.941 20 30 CFEDMN N#Cc1ccc(-c2nnc(CN3C4CCC3CC4)o2)cc1 ZINC000524759325 268196330 /nfs/dbraw/zinc/19/63/30/268196330.db2.gz PGOZWHMHGXLDNS-UHFFFAOYSA-N 0 1 280.331 2.735 20 30 CFEDMN N#Cc1ccc(C2(NCc3ccccn3)CCOCC2)cc1 ZINC000527809784 268212140 /nfs/dbraw/zinc/21/21/40/268212140.db2.gz GKEOIMJZHSEDGR-UHFFFAOYSA-N 0 1 293.370 2.749 20 30 CFEDMN N#Cc1ccc([C@@H](C(N)=O)N2CCCC3(CCCC3)C2)cc1 ZINC000526084894 268261978 /nfs/dbraw/zinc/26/19/78/268261978.db2.gz YXCUGMJLLSECTL-INIZCTEOSA-N 0 1 297.402 2.741 20 30 CFEDMN C[C@H](c1ccccc1)N1CCN(c2ccc(C#N)cn2)CC1 ZINC000193772366 270239689 /nfs/dbraw/zinc/23/96/89/270239689.db2.gz GQMXFRRNOBRNEL-OAHLLOKOSA-N 0 1 292.386 2.836 20 30 CFEDMN N#Cc1ccc2c(c1)CCC[C@@H]2NCc1cnccn1 ZINC000516167697 270378376 /nfs/dbraw/zinc/37/83/76/270378376.db2.gz PELAMUSXAMRFIO-INIZCTEOSA-N 0 1 264.332 2.515 20 30 CFEDMN C=C[C@H](CO)N[C@H]1CCCc2ncc(C(F)(F)F)cc21 ZINC000353566537 273487975 /nfs/dbraw/zinc/48/79/75/273487975.db2.gz LXHLGUXCOFDAIP-MFKMUULPSA-N 0 1 286.297 2.614 20 30 CFEDMN CO[C@@H](C)CN(C)CC#Cc1cccc(Cl)c1 ZINC000353209642 274055245 /nfs/dbraw/zinc/05/52/45/274055245.db2.gz ZYECSYBXPDNWCZ-LBPRGKRZSA-N 0 1 251.757 2.658 20 30 CFEDMN CC1CC(C#N)(C(=O)Nc2nc3ccc(F)cc3[nH]2)C1 ZINC000575238342 335087394 /nfs/dbraw/zinc/08/73/94/335087394.db2.gz SOQNFVPUDBSSIZ-UHFFFAOYSA-N 0 1 272.283 2.580 20 30 CFEDMN C#CCN1CCC(C(=O)N2CCC[C@@H]2c2ccccc2)CC1 ZINC000299159804 276783165 /nfs/dbraw/zinc/78/31/65/276783165.db2.gz QMIKYJADRIKWHA-GOSISDBHSA-N 0 1 296.414 2.695 20 30 CFEDMN C=CCC[C@H](CC)N[C@@H]1CS(=O)(=O)c2ccccc21 ZINC000269069121 276887216 /nfs/dbraw/zinc/88/72/16/276887216.db2.gz MISGLBIUKNTIQP-GXTWGEPZSA-N 0 1 279.405 2.849 20 30 CFEDMN CC(C)C1(C)CCN([C@H](C(N)=O)c2ccc(C#N)cc2)CC1 ZINC000426734828 277336834 /nfs/dbraw/zinc/33/68/34/277336834.db2.gz RFUNBFQRDPOJOT-INIZCTEOSA-N 0 1 299.418 2.843 20 30 CFEDMN CC(C)CN(CC(=O)N1CCCC1)Cc1ccc(C#N)cc1 ZINC000349289468 277375570 /nfs/dbraw/zinc/37/55/70/277375570.db2.gz TWBSHYGUWCCLNM-UHFFFAOYSA-N 0 1 299.418 2.639 20 30 CFEDMN CC1(C)CCCC[C@@H]1NC(=O)N[C@H]1CCc2[nH]cnc2C1 ZINC000329608405 278203393 /nfs/dbraw/zinc/20/33/93/278203393.db2.gz NDJFSMHADRXTHN-FZMZJTMJSA-N 0 1 290.411 2.739 20 30 CFEDMN C[C@@H](NCC(=O)N(C)c1ccccc1)c1ccc(C#N)cc1 ZINC000338363216 278337682 /nfs/dbraw/zinc/33/76/82/278337682.db2.gz QSGCYPYIDFSYPB-CQSZACIVSA-N 0 1 293.370 2.872 20 30 CFEDMN C[C@@H](N[C@@H]1CCc2ccc(C#N)cc21)c1cn[nH]c1 ZINC000335185036 278375299 /nfs/dbraw/zinc/37/52/99/278375299.db2.gz FSKCWCSWUUDGLJ-MEBBXXQBSA-N 0 1 252.321 2.619 20 30 CFEDMN CC(C)C[C@@H]1CCCN1C(=O)N[C@H]1CCc2nc[nH]c2C1 ZINC000329619276 279024603 /nfs/dbraw/zinc/02/46/03/279024603.db2.gz QVEAYIFPEBVUBE-STQMWFEESA-N 0 1 290.411 2.692 20 30 CFEDMN C[C@@H]1Oc2cc(F)ccc2[C@@H]1N[C@H]1CC[C@H](C#N)C1 ZINC000348332887 279061895 /nfs/dbraw/zinc/06/18/95/279061895.db2.gz XYMITLCIOJWSEB-PCVQNBPASA-N 0 1 260.312 2.930 20 30 CFEDMN Cc1nc([C@H]2CCCCN2Cc2ccc(F)cc2C#N)n[nH]1 ZINC000370944255 279108590 /nfs/dbraw/zinc/10/85/90/279108590.db2.gz GXUZLESJZAKHBL-OAHLLOKOSA-N 0 1 299.353 2.851 20 30 CFEDMN Cc1n[nH]c(C(=O)N[C@H]2CCCc3cc(C#N)ccc32)c1C ZINC000334918784 280190255 /nfs/dbraw/zinc/19/02/55/280190255.db2.gz ZIGGWHSBSKQTGS-HNNXBMFYSA-N 0 1 294.358 2.706 20 30 CFEDMN Cc1cccc(S(=O)(=O)Nc2ccc(C#N)cc2)c1C#N ZINC000137192381 280786485 /nfs/dbraw/zinc/78/64/85/280786485.db2.gz UVHXGBCJCFZNMW-UHFFFAOYSA-N 0 1 297.339 2.539 20 30 CFEDMN CN(Cc1cc(C(C)(C)C)[nH]n1)Cc1ccc(C#N)cn1 ZINC000563348151 290135100 /nfs/dbraw/zinc/13/51/00/290135100.db2.gz GWZMJIZJCWRTPP-UHFFFAOYSA-N 0 1 283.379 2.606 20 30 CFEDMN C[C@H](c1ccc(C#N)cc1)N1CCC(F)(F)[C@@H](CO)C1 ZINC000291818031 290219142 /nfs/dbraw/zinc/21/91/42/290219142.db2.gz NUJRXXCLHFUJSK-BXUZGUMPSA-N 0 1 280.318 2.569 20 30 CFEDMN C=CCCN1CC[C@@H]1CN(C)C(=O)c1ccc(C)s1 ZINC001085456699 782057370 /nfs/dbraw/zinc/05/73/70/782057370.db2.gz QIVFQAYHPZYQLZ-CYBMUJFWSA-N 0 1 278.421 2.779 20 30 CFEDMN C=CCCN1CC[C@@H]1CN(C)C(=O)c1sccc1C ZINC001085460689 782063037 /nfs/dbraw/zinc/06/30/37/782063037.db2.gz NVWLHTQXXZBKBT-CYBMUJFWSA-N 0 1 278.421 2.779 20 30 CFEDMN O=C(N[C@@H]1CCCc2cn[nH]c21)N1C[C@@H]2CCCC[C@@H]2C1 ZINC000330111051 295380571 /nfs/dbraw/zinc/38/05/71/295380571.db2.gz ATUOAFNLLDMATD-HZSPNIEDSA-N 0 1 288.395 2.823 20 30 CFEDMN C=CCN(CC=C)CCOc1ccc(OC)cc1[N+](=O)[O-] ZINC000173521184 327628461 /nfs/dbraw/zinc/62/84/61/327628461.db2.gz YTLFFMNGVJAMQT-UHFFFAOYSA-N 0 1 292.335 2.656 20 30 CFEDMN N#CCc1ccnc(NC(=O)c2ccc(O)c(Cl)c2)c1 ZINC000531673975 328022804 /nfs/dbraw/zinc/02/28/04/328022804.db2.gz GWDJOHXAPRDFKN-UHFFFAOYSA-N 0 1 287.706 2.759 20 30 CFEDMN C=CCN1C(=O)N=NC1S[C@H]1CCC[C@H](C)C1 ZINC000531850520 328044840 /nfs/dbraw/zinc/04/48/40/328044840.db2.gz SYMHRYWEKUHGFO-UWVGGRQHSA-N 0 1 253.371 2.841 20 30 CFEDMN C=CCN1CC[C@@H](N(C)CCC2(C#N)CCCCC2)C1=O ZINC000411666861 328098264 /nfs/dbraw/zinc/09/82/64/328098264.db2.gz HLQAEIIAOAIBMI-OAHLLOKOSA-N 0 1 289.423 2.569 20 30 CFEDMN C=CCCCCCNS(=O)(=O)[C@@H](C)C(F)(F)F ZINC000571418067 328120602 /nfs/dbraw/zinc/12/06/02/328120602.db2.gz ROCKTXUFBSEHMW-VIFPVBQESA-N 0 1 273.320 2.603 20 30 CFEDMN N#CC1(CNCCc2ccc(F)cc2Cl)CC1 ZINC000571488377 328125126 /nfs/dbraw/zinc/12/51/26/328125126.db2.gz MFYKXYNTHQCBHB-UHFFFAOYSA-N 0 1 252.720 2.915 20 30 CFEDMN C=CCN(CC(F)(F)F)C(=O)[C@@H](C)N1[C@H](C)CC[C@@H]1C ZINC000413288194 328143515 /nfs/dbraw/zinc/14/35/15/328143515.db2.gz VYEPBLYUZZQFGN-GRYCIOLGSA-N 0 1 292.345 2.825 20 30 CFEDMN CC(C)n1nccc1CNCc1ccc(OCC#N)cc1 ZINC000280748518 328236434 /nfs/dbraw/zinc/23/64/34/328236434.db2.gz CMDLJLFHIUTWAE-UHFFFAOYSA-N 0 1 284.363 2.656 20 30 CFEDMN COc1ccc(C(=O)CCN2CCC(C)(C#N)CC2)cc1 ZINC000285528811 328248210 /nfs/dbraw/zinc/24/82/10/328248210.db2.gz GVBTWXPDEPBXBL-UHFFFAOYSA-N 0 1 286.375 2.894 20 30 CFEDMN CN(CCOCCC#N)Cc1ccc(Cl)c(F)c1 ZINC000293755537 328277581 /nfs/dbraw/zinc/27/75/81/328277581.db2.gz JHJFXZHKRUEGQW-UHFFFAOYSA-N 0 1 270.735 2.841 20 30 CFEDMN C=CCCCC(=O)N1CCCC[C@@H]1c1n[nH]c(C)n1 ZINC000366708742 328298792 /nfs/dbraw/zinc/29/87/92/328298792.db2.gz LQSYFKRPUUKEPD-GFCCVEGCSA-N 0 1 262.357 2.523 20 30 CFEDMN N#Cc1ccc(CN[C@H](c2cccnc2)C2CC2)nc1 ZINC000570341826 322527631 /nfs/dbraw/zinc/52/76/31/322527631.db2.gz RSJAFAFJVZJVLR-INIZCTEOSA-N 0 1 264.332 2.589 20 30 CFEDMN N#Cc1ccc(CNCCOc2cccc(Cl)c2)o1 ZINC000174293419 323646581 /nfs/dbraw/zinc/64/65/81/323646581.db2.gz BJGFATYLYJKVEM-UHFFFAOYSA-N 0 1 276.723 2.973 20 30 CFEDMN CCC1CCN([C@H](C)C(=O)N[C@](C)(C#N)C(C)C)CC1 ZINC000048596249 328457566 /nfs/dbraw/zinc/45/75/66/328457566.db2.gz RUUVNYSUGMRPAF-CZUORRHYSA-N 0 1 279.428 2.551 20 30 CFEDMN C[C@@H](C(=O)N[C@H]1CCCC[C@H]1C)N1CCC(CC#N)CC1 ZINC000541951340 328496571 /nfs/dbraw/zinc/49/65/71/328496571.db2.gz BRQJJKYDOZGOJI-YCPHGPKFSA-N 0 1 291.439 2.695 20 30 CFEDMN CN(CCc1cccc([N+](=O)[O-])c1)Cc1ccc(C#N)cn1 ZINC000580900631 325074148 /nfs/dbraw/zinc/07/41/48/325074148.db2.gz PWGOINRMLPXLIS-UHFFFAOYSA-N 0 1 296.330 2.536 20 30 CFEDMN C=CCCCN(CC(=O)OC(C)(C)C)C1CCOCC1 ZINC000566305892 327297152 /nfs/dbraw/zinc/29/71/52/327297152.db2.gz AADOEKWOYYPPSD-UHFFFAOYSA-N 0 1 283.412 2.775 20 30 CFEDMN CN1CCC(C#N)(NC(=O)CCCCC(C)(C)C)CC1 ZINC000561128167 327368209 /nfs/dbraw/zinc/36/82/09/327368209.db2.gz BPPQWRGRUPJIET-UHFFFAOYSA-N 0 1 279.428 2.697 20 30 CFEDMN N#CCC[C@@H](C#N)CN[C@@H]1C[C@H]1c1cc(F)c(F)c(F)c1 ZINC000562434712 327480686 /nfs/dbraw/zinc/48/06/86/327480686.db2.gz VSNBIYFYDIQFPD-NURSFMCSSA-N 0 1 293.292 2.993 20 30 CFEDMN C[C@H](C(=O)NC1CCC(C)CC1)N1CCC(CC#N)CC1 ZINC000570078920 327567963 /nfs/dbraw/zinc/56/79/63/327567963.db2.gz DDGWYWUMGVFVNU-NPCAHTBFSA-N 0 1 291.439 2.695 20 30 CFEDMN CCC(CC)NC(=O)[C@@H](C)N1CCC(CCC#N)CC1 ZINC000399289131 328687686 /nfs/dbraw/zinc/68/76/86/328687686.db2.gz GCUTUHGPIJGUJO-CYBMUJFWSA-N 0 1 279.428 2.695 20 30 CFEDMN C=CCN(CC1CCCCC1)C(=O)[C@H]1C[C@H]1c1nc[nH]n1 ZINC000378564977 329055099 /nfs/dbraw/zinc/05/50/99/329055099.db2.gz CZFTYDBPSONUJG-KGLIPLIRSA-N 0 1 288.395 2.503 20 30 CFEDMN CC1=C[C@H](C)CN([C@H](C)C(=O)NC2(C#N)CCCCC2)C1 ZINC000582709960 329133366 /nfs/dbraw/zinc/13/33/66/329133366.db2.gz ROXCYCWRTLSBNT-DZGCQCFKSA-N 0 1 289.423 2.616 20 30 CFEDMN CCC(CC)CN(CCC#N)CCC(=O)NC(C)C ZINC000173553489 329149141 /nfs/dbraw/zinc/14/91/41/329149141.db2.gz MNCCKDTTWAKVTK-UHFFFAOYSA-N 0 1 267.417 2.553 20 30 CFEDMN CC1(O)CCN(CC#Cc2ccc(C(F)(F)F)cc2)CC1 ZINC000177343458 329185898 /nfs/dbraw/zinc/18/58/98/329185898.db2.gz XKFXGKRNCQYXJI-UHFFFAOYSA-N 0 1 297.320 2.904 20 30 CFEDMN C=C(C)CN(C)CC(=O)N(C)C1CCC(C)CC1 ZINC000181296145 329230394 /nfs/dbraw/zinc/23/03/94/329230394.db2.gz MOKQAQAHVUSMSB-UHFFFAOYSA-N 0 1 252.402 2.531 20 30 CFEDMN C=C(C)CN(C)CC(=O)N(C)[C@H](C)c1ccc(F)c(F)c1 ZINC000181267668 329228819 /nfs/dbraw/zinc/22/88/19/329228819.db2.gz IDHYDEKXXHZMLT-GFCCVEGCSA-N 0 1 296.361 2.992 20 30 CFEDMN C=C(C)CN(C)[C@@H]1CCCN(c2cccc(F)c2)C1=O ZINC000181277573 329229016 /nfs/dbraw/zinc/22/90/16/329229016.db2.gz XGHIMVWRAAZLBE-OAHLLOKOSA-N 0 1 276.355 2.829 20 30 CFEDMN C=C(C)CN(C)CC(=O)N(C)Cc1c(F)cccc1Cl ZINC000181285698 329229431 /nfs/dbraw/zinc/22/94/31/329229431.db2.gz NNNHRZCKAKHHCB-UHFFFAOYSA-N 0 1 298.789 2.945 20 30 CFEDMN C=C(C)CN(C)[C@H](C)C(=O)N[C@@H]1CCCC[C@@H]1C ZINC000181302687 329230758 /nfs/dbraw/zinc/23/07/58/329230758.db2.gz XTTWCNWKLGFBEU-BFHYXJOUSA-N 0 1 252.402 2.578 20 30 CFEDMN C=C(C)CN(C)C(=O)NC[C@H](c1ccco1)N(CC)CC ZINC000182498943 329242741 /nfs/dbraw/zinc/24/27/41/329242741.db2.gz SGNUINKCPHGMLE-CQSZACIVSA-N 0 1 293.411 2.880 20 30 CFEDMN N#CCCC1CCN(C(=O)c2cc(-c3ccoc3)[nH]n2)CC1 ZINC000583144988 329322105 /nfs/dbraw/zinc/32/21/05/329322105.db2.gz UVBFQZWUHSOXJI-UHFFFAOYSA-N 0 1 298.346 2.826 20 30 CFEDMN N#CC1(c2ccccc2)CCC(NCc2ncccn2)CC1 ZINC000583154420 329324054 /nfs/dbraw/zinc/32/40/54/329324054.db2.gz BDBKEKGBDFKJSW-UHFFFAOYSA-N 0 1 292.386 2.970 20 30 CFEDMN CC[C@H]1[C@H](C)CC[N@H+]1CC(=O)N(C)C1(C#N)CCCCC1 ZINC000185647646 329328372 /nfs/dbraw/zinc/32/83/72/329328372.db2.gz QKLFWOJYIJNPSF-CABCVRRESA-N 0 1 291.439 2.792 20 30 CFEDMN C=CCN1CCC(Nc2nnc(C(F)(F)F)s2)CC1 ZINC000186023325 329335933 /nfs/dbraw/zinc/33/59/33/329335933.db2.gz NIQWFGKVLXIBCF-UHFFFAOYSA-N 0 1 292.330 2.619 20 30 CFEDMN CC(C)c1nc2n(n1)CCC[C@@H]2N[C@@H]1CCC[C@H](C#N)C1 ZINC000192948214 329437780 /nfs/dbraw/zinc/43/77/80/329437780.db2.gz GNZDEWXZBAUUHZ-MJBXVCDLSA-N 0 1 287.411 2.908 20 30 CFEDMN CCC[C@H](C)NC(=O)[C@H](C)N1CCC(CCC#N)CC1 ZINC000399294175 329450003 /nfs/dbraw/zinc/45/00/03/329450003.db2.gz JEMNSBNIJKESGN-KBPBESRZSA-N 0 1 279.428 2.695 20 30 CFEDMN Cc1c(Cl)c(CNCC2CCC(C#N)CC2)nn1C ZINC000421359138 329822643 /nfs/dbraw/zinc/82/26/43/329822643.db2.gz VYTJKPMWCYCMPU-UHFFFAOYSA-N 0 1 280.803 2.802 20 30 CFEDMN C=CCOc1ccc(C[N@@H+]2CC[C@@H](C(=O)[O-])C2)cc1Cl ZINC000263405978 330054338 /nfs/dbraw/zinc/05/43/38/330054338.db2.gz JTNALLUDQCIONH-GFCCVEGCSA-N 0 1 295.766 2.811 20 30 CFEDMN C=CCCN(C)[C@H](C)C(=O)Nc1cc(OC)ccc1OC ZINC000276440835 330113615 /nfs/dbraw/zinc/11/36/15/330113615.db2.gz OOKSKESHTFFTKT-GFCCVEGCSA-N 0 1 292.379 2.539 20 30 CFEDMN C=CCOc1ccccc1C[N@H+]1C[C@H](C)C[C@H](C(=O)[O-])C1 ZINC000422632064 330150476 /nfs/dbraw/zinc/15/04/76/330150476.db2.gz GAEPTYPCRDZWMC-HIFRSBDPSA-N 0 1 289.375 2.794 20 30 CFEDMN C=CC[C@@H](CO)N[C@H](C)c1cc(-c2ccccc2)n(C)n1 ZINC000527889751 330292090 /nfs/dbraw/zinc/29/20/90/330292090.db2.gz IDEGQKBAROMLFH-HIFRSBDPSA-N 0 1 285.391 2.675 20 30 CFEDMN N#CCc1cccc(-c2nc(C3(N)CCCCC3)no2)c1 ZINC000424338305 330343665 /nfs/dbraw/zinc/34/36/65/330343665.db2.gz NJMBPYWAZVNJIW-UHFFFAOYSA-N 0 1 282.347 2.921 20 30 CFEDMN CC(C)C[C@H](C)N1C[C@@H](C#N)[C@]2(C1)c1ccccc1NC2=O ZINC000445442820 330352523 /nfs/dbraw/zinc/35/25/23/330352523.db2.gz CNGPHOMOIAKCEF-PMUMKWKESA-N 0 1 297.402 2.766 20 30 CFEDMN C=C(C)[C@H]1OCC[C@@H]1CNC(=O)c1ccc(O)c(Cl)c1 ZINC000437520476 330701939 /nfs/dbraw/zinc/70/19/39/330701939.db2.gz YKYBSWVIQPIOKO-BXUZGUMPSA-N 0 1 295.766 2.757 20 30 CFEDMN N#C[C@@H]1CC[C@@H](NCc2ccn(C3CCCC3)n2)C1 ZINC000442846275 330786504 /nfs/dbraw/zinc/78/65/04/330786504.db2.gz JJFKZVILLYZTHP-CHWSQXEVSA-N 0 1 258.369 2.780 20 30 CFEDMN C=C[C@@H]1OCCC[C@H]1NCc1csc(C2CC2)n1 ZINC000449548534 330935602 /nfs/dbraw/zinc/93/56/02/330935602.db2.gz OHSZNHHSIIVTJP-OLZOCXBDSA-N 0 1 264.394 2.844 20 30 CFEDMN C=C[C@@H]1OCCC[C@H]1N=c1nc(-c2ccccc2)[nH]s1 ZINC000450801579 331000289 /nfs/dbraw/zinc/00/02/89/331000289.db2.gz FDTJHFPSNGPIBX-OLZOCXBDSA-N 0 1 287.388 2.773 20 30 CFEDMN COC(=O)[C@@H]1CN(CC2(C#N)CCC2)C[C@H]1c1ccccc1 ZINC000450909570 331006615 /nfs/dbraw/zinc/00/66/15/331006615.db2.gz XBYNBJXZUWUJFU-JKSUJKDBSA-N 0 1 298.386 2.569 20 30 CFEDMN C=C(C)CN(CCc1cscn1)Cc1ccc(CO)o1 ZINC000450985052 331010385 /nfs/dbraw/zinc/01/03/85/331010385.db2.gz ZOCKISMPLYZBPP-UHFFFAOYSA-N 0 1 292.404 2.849 20 30 CFEDMN C[C@H](NCC1(C#N)CCC1)c1ccc2n[nH]cc2c1 ZINC000450991349 331010766 /nfs/dbraw/zinc/01/07/66/331010766.db2.gz MKAMDFMXXOXOPF-NSHDSACASA-N 0 1 254.337 2.907 20 30 CFEDMN CC[C@H]1[C@H](CO)CCN1CC#Cc1ccccc1Cl ZINC000451253522 331022026 /nfs/dbraw/zinc/02/20/26/331022026.db2.gz JUPLUFNBBOZTKR-HOCLYGCPSA-N 0 1 277.795 2.784 20 30 CFEDMN C=C[C@@H]1OCC[C@H]1NCc1nc2ccccc2s1 ZINC000451610144 331036765 /nfs/dbraw/zinc/03/67/65/331036765.db2.gz XMUBFAGEJDLRPC-PWSUYJOCSA-N 0 1 260.362 2.729 20 30 CFEDMN C=C[C@@H]1OCC[C@H]1NCc1ccn(C(CC)CC)n1 ZINC000451612124 331036918 /nfs/dbraw/zinc/03/69/18/331036918.db2.gz ZEMDXEDTSQISFR-CABCVRRESA-N 0 1 263.385 2.677 20 30 CFEDMN C(#Cc1ccccc1)CN1CCSC[C@@H]1C1CC1 ZINC000451653346 331037894 /nfs/dbraw/zinc/03/78/94/331037894.db2.gz MJWJWDUVVDMLKI-MRXNPFEDSA-N 0 1 257.402 2.866 20 30 CFEDMN CC#CCN[C@](C)(CO)c1cc(Cl)cc(Cl)c1 ZINC000451914637 331047275 /nfs/dbraw/zinc/04/72/75/331047275.db2.gz SHYDXSXTUCMKQJ-CYBMUJFWSA-N 0 1 272.175 2.814 20 30 CFEDMN C=CC(C)(C)CNC(=O)[C@@H](C)N(C)Cc1ccccc1 ZINC000452777934 331076994 /nfs/dbraw/zinc/07/69/94/331076994.db2.gz WJSGZBNYVHAAPO-CQSZACIVSA-N 0 1 274.408 2.835 20 30 CFEDMN C=C[C@@H]1OCCC[C@H]1N[C@H](C)c1csc(C)n1 ZINC000453367619 331123597 /nfs/dbraw/zinc/12/35/97/331123597.db2.gz UHZGBNFVZMSHNW-XWIASGKRSA-N 0 1 252.383 2.836 20 30 CFEDMN C=C(CC)CNC(=O)NC[C@@H](c1ccco1)N1CCCC1 ZINC000454152625 331140085 /nfs/dbraw/zinc/14/00/85/331140085.db2.gz ORPUKPUMKXSTSV-AWEZNQCLSA-N 0 1 291.395 2.682 20 30 CFEDMN C=CCC(CC=C)C(=O)N1CCN(CC)C[C@H]1CC ZINC000456390081 331192004 /nfs/dbraw/zinc/19/20/04/331192004.db2.gz VHEJITTYCAMOBD-OAHLLOKOSA-N 0 1 264.413 2.698 20 30 CFEDMN C=CCC1(CNC(=O)c2[nH]nc(C)c2C)CCCC1 ZINC000456490772 331194238 /nfs/dbraw/zinc/19/42/38/331194238.db2.gz XUZUPKRVFVJRGI-UHFFFAOYSA-N 0 1 261.369 2.893 20 30 CFEDMN C=C(C)[C@H](CC(=O)Nc1ccc(F)c(F)c1O)OCC ZINC000457286323 331218100 /nfs/dbraw/zinc/21/81/00/331218100.db2.gz FCHJEEABBXYNDX-NSHDSACASA-N 0 1 285.290 2.980 20 30 CFEDMN C=C(C)CCNC(=O)NC[C@@H](c1cccc(F)c1)N(C)C ZINC000457462410 331223734 /nfs/dbraw/zinc/22/37/34/331223734.db2.gz AONJCAAKQPEGOZ-HNNXBMFYSA-N 0 1 293.386 2.694 20 30 CFEDMN Cc1nc2cccc(C(=O)NCC(C)(C)CC#N)c2[nH]1 ZINC000458044948 331241615 /nfs/dbraw/zinc/24/16/15/331241615.db2.gz RNRAJGSFVYRZAN-UHFFFAOYSA-N 0 1 270.336 2.541 20 30 CFEDMN C=CCCC[C@@H](C)NC(=O)N1CCN(CC)C[C@@H]1CC ZINC000458619978 331254512 /nfs/dbraw/zinc/25/45/12/331254512.db2.gz NBWGMQABUBXMBX-CABCVRRESA-N 0 1 281.444 2.857 20 30 CFEDMN C=CCCC[C@@H](C)NC(=O)NCc1ccc2cncn2c1 ZINC000458624319 331254571 /nfs/dbraw/zinc/25/45/71/331254571.db2.gz RFCJRSISGHXWAZ-CYBMUJFWSA-N 0 1 286.379 2.878 20 30 CFEDMN C=CC(C)(C)CNC(=O)N[C@H](C)c1n[nH]c([C@H](C)CC)n1 ZINC000458986827 331264249 /nfs/dbraw/zinc/26/42/49/331264249.db2.gz LLRPYEHXJMOWJO-GHMZBOCLSA-N 0 1 293.415 2.891 20 30 CFEDMN C=CCN1CC[C@@H](N(C)[C@H](C)c2ccc3c(c2)CCC3)C1=O ZINC000459441960 331281548 /nfs/dbraw/zinc/28/15/48/331281548.db2.gz ZDUGXPWWBUWSCA-RDTXWAMCSA-N 0 1 298.430 2.955 20 30 CFEDMN C=CCN1CC[C@H](N(C)[C@H](C)c2ccc3c(c2)CCC3)C1=O ZINC000459441942 331281610 /nfs/dbraw/zinc/28/16/10/331281610.db2.gz ZDUGXPWWBUWSCA-KDOFPFPSSA-N 0 1 298.430 2.955 20 30 CFEDMN N#C[C@@H]1CCC[C@@H]1NC[C@H](O)Cc1cccc(Cl)c1 ZINC000459489217 331284798 /nfs/dbraw/zinc/28/47/98/331284798.db2.gz XJVWLGYRSITNPV-CFVMTHIKSA-N 0 1 278.783 2.525 20 30 CFEDMN C[C@@H](CN(C)CC1(C#N)CCC1)C(=O)OC(C)(C)C ZINC000459829371 331302293 /nfs/dbraw/zinc/30/22/93/331302293.db2.gz PKYHIYYFHGYURX-LBPRGKRZSA-N 0 1 266.385 2.590 20 30 CFEDMN C=CCNC(=O)CNCc1ccc(C2CCCC2)cc1 ZINC000462795133 331329511 /nfs/dbraw/zinc/32/95/11/331329511.db2.gz NSTWYQYRSQAWJO-UHFFFAOYSA-N 0 1 272.392 2.736 20 30 CFEDMN C=C[C@H]1CCCCN1CC(=O)N([C@H](C)C1CC1)C1CC1 ZINC000489419643 332050892 /nfs/dbraw/zinc/05/08/92/332050892.db2.gz ABZPNVYUXCVWSB-HIFRSBDPSA-N 0 1 276.424 2.816 20 30 CFEDMN C=C(CC)CN(CCOC)Cc1scnc1C ZINC000489446535 332053256 /nfs/dbraw/zinc/05/32/56/332053256.db2.gz GWDIHDHDCVEFQU-UHFFFAOYSA-N 0 1 254.399 2.866 20 30 CFEDMN C=C[C@H]1CCCCN1CC[S@](=O)c1ccccc1 ZINC000489469402 332054487 /nfs/dbraw/zinc/05/44/87/332054487.db2.gz BINUQWXPXIJCDX-KSSFIOAISA-N 0 1 263.406 2.835 20 30 CFEDMN C=C[C@@H]1CCCCN1Cc1ccc2c(c1)OCCO2 ZINC000489485789 332055765 /nfs/dbraw/zinc/05/57/65/332055765.db2.gz SPXWVUPPTFRZEE-CQSZACIVSA-N 0 1 259.349 2.998 20 30 CFEDMN CN(C)Cc1ccsc1C(=O)NCC(C)(C)CCC#N ZINC000489846626 332070228 /nfs/dbraw/zinc/07/02/28/332070228.db2.gz PXBAABCQMNUINP-UHFFFAOYSA-N 0 1 293.436 2.869 20 30 CFEDMN CC#CCN(C)[C@H](COC)c1ccc(Cl)cc1 ZINC000490041435 332076750 /nfs/dbraw/zinc/07/67/50/332076750.db2.gz ZUTKUNYSWOUIDC-CQSZACIVSA-N 0 1 251.757 2.983 20 30 CFEDMN C#CCN1CCC(C(=O)N2CCC[C@H](C(C)C)CC2)CC1 ZINC000490671672 332101930 /nfs/dbraw/zinc/10/19/30/332101930.db2.gz UDRYEMWGUXROCA-INIZCTEOSA-N 0 1 290.451 2.616 20 30 CFEDMN C#CCN(C(=O)c1c(O)cccc1F)C1CCCCC1 ZINC000491041503 332142231 /nfs/dbraw/zinc/14/22/31/332142231.db2.gz ZDMWROYQDDQVHV-UHFFFAOYSA-N 0 1 275.323 2.939 20 30 CFEDMN C#C[C@H](NC(=O)C(F)F)c1ccc(Cl)cc1F ZINC000491091936 332147654 /nfs/dbraw/zinc/14/76/54/332147654.db2.gz AHCMYUIYQCACNK-VIFPVBQESA-N 0 1 261.630 2.535 20 30 CFEDMN C#CCNC(=O)[C@@H](C)N1CC2(CCCC2)[C@H]1c1ccccc1 ZINC000491266830 332177616 /nfs/dbraw/zinc/17/76/16/332177616.db2.gz QUGIJDPPNHTNHU-NVXWUHKLSA-N 0 1 296.414 2.742 20 30 CFEDMN C#CCN(Cc1cccc(C(=O)OC)n1)C1CCCCC1 ZINC000491327578 332191225 /nfs/dbraw/zinc/19/12/25/332191225.db2.gz WQIZGAMSUXWAOF-UHFFFAOYSA-N 0 1 286.375 2.636 20 30 CFEDMN C#C[C@@H](C)N(C)Cc1c[nH]nc1-c1ccc(F)cc1 ZINC000491327143 332191262 /nfs/dbraw/zinc/19/12/62/332191262.db2.gz TVVKMGUWJRTKFW-LLVKDONJSA-N 0 1 257.312 2.669 20 30 CFEDMN C#C[C@@H](N[C@H](C)Cn1cccn1)c1ccc(Cl)cc1 ZINC000491352213 332195653 /nfs/dbraw/zinc/19/56/53/332195653.db2.gz YFZBJGCPCYPUAS-IUODEOHRSA-N 0 1 273.767 2.889 20 30 CFEDMN C#CCN1CCC(C(=O)N(C)[C@@H](C)C2CCCCC2)CC1 ZINC000491360767 332196836 /nfs/dbraw/zinc/19/68/36/332196836.db2.gz HOXIZDLZTBWTJN-HNNXBMFYSA-N 0 1 290.451 2.759 20 30 CFEDMN C#C[C@@H](CC)NCc1cnc(-c2ccccn2)s1 ZINC000491475046 332218677 /nfs/dbraw/zinc/21/86/77/332218677.db2.gz SBWHHCUJSQEGNL-NSHDSACASA-N 0 1 257.362 2.707 20 30 CFEDMN C#CCN(Cc1cnn(CC(F)F)c1)C1CCCC1 ZINC000491515104 332226903 /nfs/dbraw/zinc/22/69/03/332226903.db2.gz LUSGAVFYSRYWQF-UHFFFAOYSA-N 0 1 267.323 2.526 20 30 CFEDMN C#C[C@@H](NCc1cc(OC)c(OC)cc1F)C(C)C ZINC000491620349 332246088 /nfs/dbraw/zinc/24/60/88/332246088.db2.gz FYVQSZDKTVPCFP-CYBMUJFWSA-N 0 1 265.328 2.590 20 30 CFEDMN C#C[C@H](NC1CCOCC1)c1ccc(Cl)cc1F ZINC000491660905 332271042 /nfs/dbraw/zinc/27/10/42/332271042.db2.gz OWKRRBPWWWMBIF-AWEZNQCLSA-N 0 1 267.731 2.922 20 30 CFEDMN C#CCN1CCC(C(=O)N(c2ccccc2)[C@H]2C[C@@H]2C)CC1 ZINC000491678147 332282690 /nfs/dbraw/zinc/28/26/90/332282690.db2.gz SGZFUZMYTDZQPE-YJBOKZPZSA-N 0 1 296.414 2.773 20 30 CFEDMN C#CCN1CCC(C(=O)N2CCC[C@@]2(C)CC(C)C)CC1 ZINC000491678914 332283140 /nfs/dbraw/zinc/28/31/40/332283140.db2.gz VWZFICJAGQJHPR-SFHVURJKSA-N 0 1 290.451 2.759 20 30 CFEDMN C#CCN(Cc1cn(C)nc1C(F)F)C1CCCC1 ZINC000491741989 332320818 /nfs/dbraw/zinc/32/08/18/332320818.db2.gz PWMVPRIYWIJASL-UHFFFAOYSA-N 0 1 267.323 2.736 20 30 CFEDMN C#C[C@@H](C)N(C)Cc1cn(C)nc1-c1ccc(F)cc1 ZINC000491777683 332342843 /nfs/dbraw/zinc/34/28/43/332342843.db2.gz DXQWTNWGSHBKHY-GFCCVEGCSA-N 0 1 271.339 2.680 20 30 CFEDMN C[C@H]1CCCC[C@]1(CNC(=O)OC(C)(C)C)NCCC#N ZINC000495982951 332535385 /nfs/dbraw/zinc/53/53/85/332535385.db2.gz POBPESNBYXFYSG-XJKSGUPXSA-N 0 1 295.427 2.963 20 30 CFEDMN CC[C@H](CC#N)NCC(C)(C)NC(=O)OC(C)(C)C ZINC000310008703 333052760 /nfs/dbraw/zinc/05/27/60/333052760.db2.gz JGKAYGINMKCXMD-LLVKDONJSA-N 0 1 269.389 2.572 20 30 CFEDMN COC(=O)c1cc(CNCc2ccc(CC#N)cc2)oc1C ZINC000516927820 333086664 /nfs/dbraw/zinc/08/66/64/333086664.db2.gz GWKAMKRQJDDOAT-UHFFFAOYSA-N 0 1 298.342 2.731 20 30 CFEDMN CC[C@H](CC#N)NC[C@H](O)Cc1cccc(Cl)c1 ZINC000516935918 333086858 /nfs/dbraw/zinc/08/68/58/333086858.db2.gz NFQYZNUFXMTOLI-ZIAGYGMSSA-N 0 1 266.772 2.525 20 30 CFEDMN C#CCNC(=O)[C@@H](C)N[C@@H](C)c1oc2ccccc2c1C ZINC000183570818 333121254 /nfs/dbraw/zinc/12/12/54/333121254.db2.gz RNNLHBFEDQGYLI-QWHCGFSZSA-N 0 1 284.359 2.530 20 30 CFEDMN CCc1ccc([C@@H](C#N)NC(=O)[C@H](C)Cc2cnc[nH]2)cc1 ZINC000565198080 333122058 /nfs/dbraw/zinc/12/20/58/333122058.db2.gz TXBAKTHRQNPCRX-MLGOLLRUSA-N 0 1 296.374 2.532 20 30 CFEDMN C#CCN1CCC(C(=O)N([C@H](C)CC)[C@@H](C)CC)CC1 ZINC000184939182 333133466 /nfs/dbraw/zinc/13/34/66/333133466.db2.gz BIDQPRQNDAZPQG-GASCZTMLSA-N 0 1 278.440 2.757 20 30 CFEDMN COc1ccc(CN2CCC(CCC#N)CC2)cn1 ZINC000575865053 335125203 /nfs/dbraw/zinc/12/52/03/335125203.db2.gz JCEPPQKUCBFPNX-UHFFFAOYSA-N 0 1 259.353 2.606 20 30 CFEDMN Cc1cc2c[nH]nc2c(C(=O)N(CCC#N)C(C)C)c1 ZINC000523283374 333314448 /nfs/dbraw/zinc/31/44/48/333314448.db2.gz GYGWQVQFHWGXJA-UHFFFAOYSA-N 0 1 270.336 2.636 20 30 CFEDMN C=CCCCCCN(C)C(=O)[C@H]1Cc2ccccc2CN1 ZINC000237045533 333377364 /nfs/dbraw/zinc/37/73/64/333377364.db2.gz LHSIWWFAAAFLSH-QGZVFWFLSA-N 0 1 286.419 2.906 20 30 CFEDMN Cc1cccc(NC(=O)[C@H](C)N2CCC(CC#N)CC2)c1 ZINC000542881458 333847624 /nfs/dbraw/zinc/84/76/24/333847624.db2.gz GMYIUMJGGNQNLC-AWEZNQCLSA-N 0 1 285.391 2.948 20 30 CFEDMN CC(C)CCC[C@@H](C)NC(=O)CN1CCC(CC#N)CC1 ZINC000543808931 333901347 /nfs/dbraw/zinc/90/13/47/333901347.db2.gz BEQHUVGMEXTIGQ-OAHLLOKOSA-N 0 1 293.455 2.943 20 30 CFEDMN CC#CCC[N@H+]1CCC[C@@H](CC(=O)OC(C)(C)C)C1 ZINC000545904406 334005385 /nfs/dbraw/zinc/00/53/85/334005385.db2.gz IHJLGVFEYDOSDP-AWEZNQCLSA-N 0 1 265.397 2.844 20 30 CFEDMN N#CCC[C@H](C#N)CNCC1(c2ccc(F)cc2)CC1 ZINC000548925320 334180508 /nfs/dbraw/zinc/18/05/08/334180508.db2.gz CQWNQLPBWYUNMH-CYBMUJFWSA-N 0 1 271.339 2.890 20 30 CFEDMN C[C@@H]1c2c(F)cccc2CCN1CCOCCC#N ZINC000549861065 334206668 /nfs/dbraw/zinc/20/66/68/334206668.db2.gz WSYHBRXQTMOWTO-GFCCVEGCSA-N 0 1 262.328 2.675 20 30 CFEDMN C[C@](O)(C1CCN([C@H]2CC[C@H](C#N)C2)CC1)C(F)(F)F ZINC000549939058 334210165 /nfs/dbraw/zinc/21/01/65/334210165.db2.gz UBEMBYAMSNYXHX-DRZSPHRISA-N 0 1 290.329 2.704 20 30 CFEDMN C=CCOc1cccc(NC(=O)CN2CCC(C)(C)C2)c1 ZINC000553035149 334357923 /nfs/dbraw/zinc/35/79/23/334357923.db2.gz DUXXWQUGTFAINZ-UHFFFAOYSA-N 0 1 288.391 2.922 20 30 CFEDMN N#CCC1CCN(Cc2ccnn2-c2ccccc2)CC1 ZINC000556106212 334495789 /nfs/dbraw/zinc/49/57/89/334495789.db2.gz WGACDMPNFUBGSL-UHFFFAOYSA-N 0 1 280.375 2.998 20 30 CFEDMN C=CCOc1ccccc1CNCc1cnc(C)n1C ZINC000565237204 334547138 /nfs/dbraw/zinc/54/71/38/334547138.db2.gz GVFGGAYXPFUHFT-UHFFFAOYSA-N 0 1 271.364 2.583 20 30 CFEDMN N#CCCCNCc1ccc(F)cc1Br ZINC000273068002 334760021 /nfs/dbraw/zinc/76/00/21/334760021.db2.gz NUZCZIUNASELGU-UHFFFAOYSA-N 0 1 271.133 2.982 20 30 CFEDMN C=CCOc1ccccc1CN1CCC(C(=O)OC)CC1 ZINC000159202619 334822394 /nfs/dbraw/zinc/82/23/94/334822394.db2.gz RCAGGLPEDCCJHG-UHFFFAOYSA-N 0 1 289.375 2.636 20 30 CFEDMN N#CCc1ccc(CNCc2cnc(C3CC3)nc2)cc1 ZINC000576584594 335222442 /nfs/dbraw/zinc/22/24/42/335222442.db2.gz QOCUVOWYFXZYKE-UHFFFAOYSA-N 0 1 278.359 2.710 20 30 CFEDMN N#CC1(CNCc2cnc(-c3ccccc3)[nH]2)CCC1 ZINC000577085592 335297714 /nfs/dbraw/zinc/29/77/14/335297714.db2.gz GZUVREQLPRDNIH-UHFFFAOYSA-N 0 1 266.348 2.860 20 30 CFEDMN N#CC1(CNCCC(=O)Nc2cc(F)cc(F)c2)CCC1 ZINC000577842269 335409690 /nfs/dbraw/zinc/40/96/90/335409690.db2.gz POMFJXBJTNSUMB-UHFFFAOYSA-N 0 1 293.317 2.577 20 30 CFEDMN C=C[C@@H]1OCCC[C@H]1NCc1nc(C)c2ccccc2n1 ZINC000579436885 335754613 /nfs/dbraw/zinc/75/46/13/335754613.db2.gz JOFDSNZJOVEUKJ-CVEARBPZSA-N 0 1 283.375 2.761 20 30 CFEDMN C=CC[N@@H+](Cc1nc2cc(C(=O)[O-])ccc2n1CC)C1CC1 ZINC000581078270 336005439 /nfs/dbraw/zinc/00/54/39/336005439.db2.gz STIYUMAHYYUCGP-UHFFFAOYSA-N 0 1 299.374 2.905 20 30 CFEDMN C=CC[N@H+](Cc1nc2cc(C(=O)[O-])ccc2n1CC)C1CC1 ZINC000581078270 336005440 /nfs/dbraw/zinc/00/54/40/336005440.db2.gz STIYUMAHYYUCGP-UHFFFAOYSA-N 0 1 299.374 2.905 20 30 CFEDMN C=CCN1CC[C@H]1CN(C)C(=O)C1=CCCCCC1 ZINC001085563350 782101182 /nfs/dbraw/zinc/10/11/82/782101182.db2.gz LCRHGEDGPPVYFU-HNNXBMFYSA-N 0 1 262.397 2.596 20 30 CFEDMN C#CCCN1CC[C@H]1CN(C)C(=O)[C@@H]1C[C@H]1CC(C)(C)C ZINC001085604103 782112772 /nfs/dbraw/zinc/11/27/72/782112772.db2.gz XBUNAZBVAPNFHQ-HRCADAONSA-N 0 1 290.451 2.615 20 30 CFEDMN C#CCCN1CC[C@@H]1CN(C)C(=O)[C@@H]1CCC(C)=C(C)C1 ZINC001085614199 782114297 /nfs/dbraw/zinc/11/42/97/782114297.db2.gz IGBLQROAGCEXMU-IAGOWNOFSA-N 0 1 288.435 2.679 20 30 CFEDMN C=C(C)CN1CC[C@H]1CN(C)C(=O)c1cccc(F)c1C ZINC001085607888 782117051 /nfs/dbraw/zinc/11/70/51/782117051.db2.gz CPPVWRPENQQGAI-AWEZNQCLSA-N 0 1 290.382 2.857 20 30 CFEDMN C=CCN1CC[C@@H]1CN(C)C(=O)c1c[nH]c2ccccc21 ZINC001085703518 782136517 /nfs/dbraw/zinc/13/65/17/782136517.db2.gz RZWRHONIALHTTA-CYBMUJFWSA-N 0 1 283.375 2.500 20 30 CFEDMN C#CCCN1CC[C@@H]1CN(C)C(=O)C1CCCCCCC1 ZINC001085715532 782142511 /nfs/dbraw/zinc/14/25/11/782142511.db2.gz MWMYUYOLGPUIKC-QGZVFWFLSA-N 0 1 290.451 2.903 20 30 CFEDMN C=C(C)CN1CC[C@H]1CN(C)C(=O)c1ccn2ccccc12 ZINC001085715705 782143265 /nfs/dbraw/zinc/14/32/65/782143265.db2.gz RJBXAIRPWYNZNG-HNNXBMFYSA-N 0 1 297.402 2.662 20 30 CFEDMN CC1CCN(CCNc2nccc(C#N)c2Cl)CC1 ZINC000232833862 521018292 /nfs/dbraw/zinc/01/82/92/521018292.db2.gz OTLBGPKOSBWKIS-UHFFFAOYSA-N 0 1 278.787 2.750 20 30 CFEDMN Cc1cc(Cl)cc(C(=O)C(C#N)c2ccncn2)c1 ZINC000354476171 533770718 /nfs/dbraw/zinc/77/07/18/533770718.db2.gz YTMADJUTOFLOKZ-LBPRGKRZSA-N 0 1 271.707 2.929 20 30 CFEDMN COc1ccc(Cl)cc1C(=O)C(C#N)c1ccncn1 ZINC000354482357 533839589 /nfs/dbraw/zinc/83/95/89/533839589.db2.gz ZQXHDEYORGAXTP-NSHDSACASA-N 0 1 287.706 2.629 20 30 CFEDMN COc1ccc(Cl)cc1C(=O)[C@@H](C#N)c1ccncn1 ZINC000354482357 533839593 /nfs/dbraw/zinc/83/95/93/533839593.db2.gz ZQXHDEYORGAXTP-NSHDSACASA-N 0 1 287.706 2.629 20 30 CFEDMN C[C@@H]1N(Cc2ccc(CC#N)cc2)CCOC1(C)C ZINC000335990933 534091413 /nfs/dbraw/zinc/09/14/13/534091413.db2.gz REXLPMAFGRVHJO-ZDUSSCGKSA-N 0 1 258.365 2.752 20 30 CFEDMN C=C(C)CN(CC)C(=O)[C@H](C)N[C@@H](C)c1cccc(O)c1 ZINC000181564990 518595170 /nfs/dbraw/zinc/59/51/70/518595170.db2.gz ICSPYIRVZZBHQC-KBPBESRZSA-N 0 1 290.407 2.856 20 30 CFEDMN C=C(C)CN(CC)CC(=O)N(C)C1CCC(C)CC1 ZINC000061758622 518599248 /nfs/dbraw/zinc/59/92/48/518599248.db2.gz MLHNWCDEUOHDBU-UHFFFAOYSA-N 0 1 266.429 2.922 20 30 CFEDMN CC(C)(C)[C@@H]1CCN(Cc2ccc(C#N)c(F)c2)C[C@@H]1O ZINC000361866482 518943584 /nfs/dbraw/zinc/94/35/84/518943584.db2.gz BDTMRRMOSHWZED-ZBFHGGJFSA-N 0 1 290.382 2.926 20 30 CFEDMN CC(C)n1cc(C#N)c(=NC(=O)c2sccc2Cl)[nH]1 ZINC000336468949 519932465 /nfs/dbraw/zinc/93/24/65/519932465.db2.gz UXLDUVQNQGQWHU-UHFFFAOYSA-N 0 1 294.767 2.725 20 30 CFEDMN Cc1ccsc1[C@@H]1C[C@H]1C(=O)NCCc1nc(C)n[nH]1 ZINC000329121924 534483643 /nfs/dbraw/zinc/48/36/43/534483643.db2.gz WJSNZFWMEXBHOF-GHMZBOCLSA-N 0 1 290.392 2.786 20 30 CFEDMN CCOC(=O)CC1CCN(Cc2cc(C#N)cs2)CC1 ZINC000159098237 520615162 /nfs/dbraw/zinc/61/51/62/520615162.db2.gz XCRHXEZBFOYVAL-UHFFFAOYSA-N 0 1 292.404 2.785 20 30 CFEDMN Cc1oc(C(C)C)nc1C(=O)N[C@H]1CCc2nc[nH]c2C1 ZINC000329155877 534543150 /nfs/dbraw/zinc/54/31/50/534543150.db2.gz CLHTYXKANMAFOE-JTQLQIEISA-N 0 1 288.351 2.692 20 30 CFEDMN CC[C@@H](C)N1CCN(c2nc3c(cc2C#N)CCCC3)CC1 ZINC000316017937 522137763 /nfs/dbraw/zinc/13/77/63/522137763.db2.gz XMFILNJQCRCTSB-CQSZACIVSA-N 0 1 298.434 2.753 20 30 CFEDMN CC[C@H](NCc1cc(C#N)n(C)c1)c1c(C)noc1C ZINC000191489871 522638618 /nfs/dbraw/zinc/63/86/18/522638618.db2.gz ZAFHNYBLMKZPIG-AWEZNQCLSA-N 0 1 272.352 2.743 20 30 CFEDMN COc1ccc(C#N)cc1CN[C@@H](CCO)c1ccccc1 ZINC000305772631 523527905 /nfs/dbraw/zinc/52/79/05/523527905.db2.gz LCLLTLFEOSGRCT-KRWDZBQOSA-N 0 1 296.370 2.780 20 30 CFEDMN CO[C@@H]1CCN(Cc2ccc(C#N)c(F)c2)C[C@@H]1C ZINC000336257667 523687760 /nfs/dbraw/zinc/68/77/60/523687760.db2.gz QLVPLUYBOVXRSV-XHDPSFHLSA-N 0 1 262.328 2.554 20 30 CFEDMN CC(C)(C)OC(=O)CCNCc1ccc(C#N)cc1F ZINC000269402031 534744726 /nfs/dbraw/zinc/74/47/26/534744726.db2.gz GRPWKIRFMCSOJU-UHFFFAOYSA-N 0 1 278.327 2.519 20 30 CFEDMN O=C(CCC1CCOCC1)N[C@@H]1CCCc2cn[nH]c21 ZINC000330100282 534765765 /nfs/dbraw/zinc/76/57/65/534765765.db2.gz DJZNFQGXIPCVBF-CYBMUJFWSA-N 0 1 277.368 2.950 20 30 CFEDMN Cc1cccc(CN(C)CCOc2cccc(C#N)c2)n1 ZINC000083798935 524377211 /nfs/dbraw/zinc/37/72/11/524377211.db2.gz UMKFDGYFVJPLDO-UHFFFAOYSA-N 0 1 281.359 2.773 20 30 CFEDMN N#Cc1cnc(NCCN2CCc3ccccc3C2)c(F)c1 ZINC000413051396 534825900 /nfs/dbraw/zinc/82/59/00/534825900.db2.gz XATCHZOYXGLFCM-UHFFFAOYSA-N 0 1 296.349 2.563 20 30 CFEDMN C[C@@H](NCc1ccccc1OCCO)c1cccc(C#N)c1 ZINC000305758257 525540018 /nfs/dbraw/zinc/54/00/18/525540018.db2.gz AZNFEMIMOVYREL-CQSZACIVSA-N 0 1 296.370 2.780 20 30 CFEDMN Cc1ccn(C2CCN(Cc3ccccc3C#N)CC2)n1 ZINC000364883688 525589810 /nfs/dbraw/zinc/58/98/10/525589810.db2.gz CLYORFUHXJRHKA-UHFFFAOYSA-N 0 1 280.375 2.900 20 30 CFEDMN Cc1cc2[nH]ncc2cc1NC(=O)c1cccc(C#N)c1 ZINC000360425773 525665224 /nfs/dbraw/zinc/66/52/24/525665224.db2.gz CESVEVNANZYQLM-UHFFFAOYSA-N 0 1 276.299 2.995 20 30 CFEDMN C[C@@H]1[C@H](C(F)(F)F)CCN1Cc1cc(C#N)n(C)c1 ZINC000334782038 525679981 /nfs/dbraw/zinc/67/99/81/525679981.db2.gz SADUZVMQTVSMAB-BXKDBHETSA-N 0 1 271.286 2.669 20 30 CFEDMN C[C@@H](c1cccc(C#N)c1)N1CCC(O)(C(F)F)CC1 ZINC000336171680 526069003 /nfs/dbraw/zinc/06/90/03/526069003.db2.gz MCGWGECDSZUKCR-NSHDSACASA-N 0 1 280.318 2.711 20 30 CFEDMN C[C@H](c1cccc(C#N)c1)N1CCC[C@@H](N2CCCC2=O)C1 ZINC000336345392 526072748 /nfs/dbraw/zinc/07/27/48/526072748.db2.gz MNQVUGRPNKSBDO-RHSMWYFYSA-N 0 1 297.402 2.706 20 30 CFEDMN C[C@H](C(=O)Nc1ccc2[nH]nnc2c1)c1cccc(C#N)c1 ZINC000360327678 526150904 /nfs/dbraw/zinc/15/09/04/526150904.db2.gz MAYVEAUZCJUTKG-JTQLQIEISA-N 0 1 291.314 2.572 20 30 CFEDMN C[C@H](C(=O)Nc1nc(C2CCC2)n[nH]1)c1cccc(C#N)c1 ZINC000360784508 526170429 /nfs/dbraw/zinc/17/04/29/526170429.db2.gz XMDWHVFSJNTUHB-JTQLQIEISA-N 0 1 295.346 2.686 20 30 CFEDMN C[C@H](C(=O)Nc1n[nH]c(C2CCC2)n1)c1cccc(C#N)c1 ZINC000360784508 526170437 /nfs/dbraw/zinc/17/04/37/526170437.db2.gz XMDWHVFSJNTUHB-JTQLQIEISA-N 0 1 295.346 2.686 20 30 CFEDMN N#Cc1c(F)cccc1CN1CC[C@H]([C@H]2CCOC2)C1 ZINC000336110261 526523690 /nfs/dbraw/zinc/52/36/90/526523690.db2.gz CCQGUBIBWVTJAW-JSGCOSHPSA-N 0 1 274.339 2.556 20 30 CFEDMN C=C(C)CN1CCC(NC(=O)CC(C)(C)CC(C)=O)CC1 ZINC000191831996 526581338 /nfs/dbraw/zinc/58/13/38/526581338.db2.gz FXZXQMHEZXPQCR-UHFFFAOYSA-N 0 1 294.439 2.539 20 30 CFEDMN N#Cc1ccc(CN2CCC(CF)CC2)cc1F ZINC000336260639 526609471 /nfs/dbraw/zinc/60/94/71/526609471.db2.gz IMBPLPJBRDKZHA-UHFFFAOYSA-N 0 1 250.292 2.879 20 30 CFEDMN N#Cc1ccc(CN2CC[C@](O)(C3CC3)C2)c(Cl)c1 ZINC000336430997 526616554 /nfs/dbraw/zinc/61/65/54/526616554.db2.gz PFPKJHMSUACACM-OAHLLOKOSA-N 0 1 276.767 2.558 20 30 CFEDMN N#Cc1ccc(CNCC2(C(F)(F)F)CCC2)o1 ZINC000353102037 526621158 /nfs/dbraw/zinc/62/11/58/526621158.db2.gz ZNZZNXLKSKHIJZ-UHFFFAOYSA-N 0 1 258.243 2.973 20 30 CFEDMN C=CCOCCCSc1nc(-c2cccnc2)n[nH]1 ZINC000356047650 526763598 /nfs/dbraw/zinc/76/35/98/526763598.db2.gz UNBOKYGJHRMNFX-UHFFFAOYSA-N 0 1 276.365 2.552 20 30 CFEDMN C=CC[C@@H](C)NC(=O)[C@@H]1CCc2[nH]c(C(C)C)nc2C1 ZINC000356117309 527029702 /nfs/dbraw/zinc/02/97/02/527029702.db2.gz XBGZUYBKJUVOAG-VXGBXAGGSA-N 0 1 275.396 2.719 20 30 CFEDMN Cn1cc(CN2Cc3ccccc3C3(CC3)C2)cc1C#N ZINC000191509416 527208523 /nfs/dbraw/zinc/20/85/23/527208523.db2.gz LJODUYUXBWTKFE-UHFFFAOYSA-N 0 1 277.371 2.944 20 30 CFEDMN C=CCCC[C@@H](C)NC(=O)N1CCN([C@H](C)CC)CC1 ZINC000458621187 527263207 /nfs/dbraw/zinc/26/32/07/527263207.db2.gz OHRIFPDNYLUCJP-HUUCEWRRSA-N 0 1 281.444 2.857 20 30 CFEDMN C=CCCO[C@H](C)C(=O)N(C)Cc1cc(C(C)(C)C)[nH]n1 ZINC000347484590 527387812 /nfs/dbraw/zinc/38/78/12/527387812.db2.gz DQNQQFHSSXXWKJ-GFCCVEGCSA-N 0 1 293.411 2.647 20 30 CFEDMN C=C[C@H](CC(=O)N1C[C@H](C)N(C)C[C@H]1C)c1ccccc1 ZINC000351987490 527575561 /nfs/dbraw/zinc/57/55/61/527575561.db2.gz VZQNFUZVLHJFRE-ARFHVFGLSA-N 0 1 286.419 2.897 20 30 CFEDMN CCN(CC#Cc1ccccc1Cl)CCOC ZINC000347366384 527879356 /nfs/dbraw/zinc/87/93/56/527879356.db2.gz IWGYTBBVPJUESO-UHFFFAOYSA-N 0 1 251.757 2.660 20 30 CFEDMN CC(C)n1ncc2c1C[C@@H]([NH+]=C([O-])N(C)C1CCC1)CC2 ZINC000330033419 528653246 /nfs/dbraw/zinc/65/32/46/528653246.db2.gz AFABXIWEDQZPST-ZDUSSCGKSA-N 0 1 290.411 2.720 20 30 CFEDMN CC(C)[C@@](C)(C#N)NC(=O)CN1CCC(C)(C2CC2)CC1 ZINC000352201324 528848934 /nfs/dbraw/zinc/84/89/34/528848934.db2.gz RJYHCMOARZSVDX-QGZVFWFLSA-N 0 1 291.439 2.553 20 30 CFEDMN CCN(Cc1cncn1C)[C@@H](C)c1ccc(C#N)cc1 ZINC000177258761 528873318 /nfs/dbraw/zinc/87/33/18/528873318.db2.gz LJXZYPSRBBEYLT-ZDUSSCGKSA-N 0 1 268.364 2.875 20 30 CFEDMN CCN(C([O-])=[NH+][C@H]1CCn2ccnc2C1)C1CCCCC1 ZINC000330284200 528903678 /nfs/dbraw/zinc/90/36/78/528903678.db2.gz XEEZNTWCUIYJDX-ZDUSSCGKSA-N 0 1 290.411 2.767 20 30 CFEDMN CC(C)N1CCN([C@@H](C#N)c2cccc(Cl)c2)CC1 ZINC000348328743 529043387 /nfs/dbraw/zinc/04/33/87/529043387.db2.gz VYRTVUKGYOFRNK-HNNXBMFYSA-N 0 1 277.799 2.931 20 30 CFEDMN CC[C@@H](NCc1ccc(C#N)s1)c1cnn(C)c1 ZINC000421869007 529182186 /nfs/dbraw/zinc/18/21/86/529182186.db2.gz DIWACDQRQBSAOT-CYBMUJFWSA-N 0 1 260.366 2.594 20 30 CFEDMN CN(Cc1ccccc1)C1CN(Cc2cc(C#N)cs2)C1 ZINC000459590504 536480746 /nfs/dbraw/zinc/48/07/46/536480746.db2.gz KEUIDLMCXRYBON-UHFFFAOYSA-N 0 1 297.427 2.936 20 30 CFEDMN COc1cccc(C=C(C)c2nc(C)c(C#N)c(=O)[nH]2)c1 ZINC000435337222 537074016 /nfs/dbraw/zinc/07/40/16/537074016.db2.gz URFUWKHJOZYAOI-YFHOEESVSA-N 0 1 281.315 2.519 20 30 CFEDMN C=C(C)CN1CC[C@H]1CN(C)C(=O)C1Cc2ccccc2C1 ZINC001085838111 782178607 /nfs/dbraw/zinc/17/86/07/782178607.db2.gz ZZFXIFKYASAYAP-SFHVURJKSA-N 0 1 298.430 2.510 20 30 CFEDMN Cc1cccc2c1CCC2=NNC1=N[C@@H]2CCCC[C@H]2N1 ZINC000753934294 574055934 /nfs/dbraw/zinc/05/59/34/574055934.db2.gz HZMPZTVOOBKVBW-HZPDHXFCSA-N 0 1 282.391 2.505 20 30 CFEDMN Cc1cc(C=NNC2=N[C@H]3CCCC[C@@H]3N2)c(C)n1C1CC1 ZINC000753936760 574056646 /nfs/dbraw/zinc/05/66/46/574056646.db2.gz ULBPFIIFSPBMKD-HOTGVXAUSA-N 0 1 299.422 2.634 20 30 CFEDMN Fc1ccc(C=NNC2=N[C@@H]3CCCC[C@H]3N2)c(Cl)c1 ZINC000753937923 574056739 /nfs/dbraw/zinc/05/67/39/574056739.db2.gz HTOOBZHQUNDWDW-CHWSQXEVSA-N 0 1 294.761 2.673 20 30 CFEDMN Cc1cc(C=NNC2=N[C@@H]3CCCC[C@@H]3N2)c(C)n1C1CC1 ZINC000753936778 574056857 /nfs/dbraw/zinc/05/68/57/574056857.db2.gz ULBPFIIFSPBMKD-IYBDPMFKSA-N 0 1 299.422 2.634 20 30 CFEDMN C[C@H](OC(=O)c1[nH]nc2c1CCC2)c1cccc(C#N)c1 ZINC000727636117 574057605 /nfs/dbraw/zinc/05/76/05/574057605.db2.gz GPZQWGOHRKXTMH-JTQLQIEISA-N 0 1 281.315 2.688 20 30 CFEDMN C[C@H]1CC(N=Nc2c(F)cccc2F)CN1C1CC1 ZINC000753959022 574059585 /nfs/dbraw/zinc/05/95/85/574059585.db2.gz CSGRYAOKTRZZMD-VIFPVBQESA-N 0 1 265.307 2.989 20 30 CFEDMN CCn1nccc1C=NN=c1ccc2ccccc2[nH]1 ZINC000753692730 574072666 /nfs/dbraw/zinc/07/26/66/574072666.db2.gz LBARZWCQXQXQSL-UHFFFAOYSA-N 0 1 265.320 2.897 20 30 CFEDMN C=C(Br)COC(=O)[C@@H](CC)N(CC)CC ZINC000741033294 574073167 /nfs/dbraw/zinc/07/31/67/574073167.db2.gz PCSBGFWDMJSENN-SNVBAGLBSA-N 0 1 278.190 2.559 20 30 CFEDMN C[C@H]1CCC[N@H+]([C@H](C(=O)[O-])c2ccc(C#N)cc2)CC1 ZINC000736793129 574075404 /nfs/dbraw/zinc/07/54/04/574075404.db2.gz JUALAUNBINTVGX-WFASDCNBSA-N 0 1 272.348 2.806 20 30 CFEDMN CC(C)[N@@H+]1CC(N=Nc2ccccc2C(=O)[O-])[C@@H](C)C1 ZINC000754258916 574084721 /nfs/dbraw/zinc/08/47/21/574084721.db2.gz ONFGHKAGLUVTKX-NSHDSACASA-N 0 1 275.352 2.513 20 30 CFEDMN C=C(C)C[N@H+]1CCCC[C@@H]1[C@H]1CCCN1C(=O)[O-] ZINC000738485742 574089509 /nfs/dbraw/zinc/08/95/09/574089509.db2.gz QFJFPWWFFCBTHA-CHWSQXEVSA-N 0 1 252.358 2.559 20 30 CFEDMN C#C[C@@H](CC)NC(=O)[C@H]1CCCCN1Cc1ccccc1 ZINC000754390016 574093609 /nfs/dbraw/zinc/09/36/09/574093609.db2.gz IVVSOULVWSOXFR-DLBZAZTESA-N 0 1 284.403 2.569 20 30 CFEDMN C=CC[N@@H+](Cc1ccccc1F)C[C@H]1CCN(C(=O)[O-])C1 ZINC000738492791 574095252 /nfs/dbraw/zinc/09/52/52/574095252.db2.gz UJVIMCVLZITLFV-CYBMUJFWSA-N 0 1 292.354 2.814 20 30 CFEDMN C=CCC[N@@H+]1CCCC[C@H]1[C@@H]1CCCN1C(=O)[O-] ZINC000738493669 574095972 /nfs/dbraw/zinc/09/59/72/574095972.db2.gz PCOCFOTZBDMSDO-STQMWFEESA-N 0 1 252.358 2.559 20 30 CFEDMN Cn1c2ccccc2nc1N=NCc1ccc(O)cc1 ZINC000728776253 574108062 /nfs/dbraw/zinc/10/80/62/574108062.db2.gz NMMXEYSFQWKYCP-UHFFFAOYSA-N 0 1 266.304 2.725 20 30 CFEDMN Fc1ccc(NN=Cc2cccc3c2OCCCO3)nc1 ZINC000731319099 574116687 /nfs/dbraw/zinc/11/66/87/574116687.db2.gz RNPOWVJWLMXBIL-UHFFFAOYSA-N 0 1 287.294 2.828 20 30 CFEDMN C#CCOc1ccc(C=NNc2ccc(F)cn2)cc1 ZINC000731321728 574116776 /nfs/dbraw/zinc/11/67/76/574116776.db2.gz OQIYDZMOOZISGP-UHFFFAOYSA-N 0 1 269.279 2.679 20 30 CFEDMN COc1ccccc1-c1ccc(C(C)=NNC(=N)N)cc1 ZINC000741451793 574117286 /nfs/dbraw/zinc/11/72/86/574117286.db2.gz VYIMLQXSZQJRRA-UHFFFAOYSA-N 0 1 282.347 2.569 20 30 CFEDMN Cc1cc(NN=Cc2ccc(C)c(F)c2)nc(C)n1 ZINC000731486893 574121951 /nfs/dbraw/zinc/12/19/51/574121951.db2.gz YHMBZWIIDKKTKM-UHFFFAOYSA-N 0 1 258.300 2.987 20 30 CFEDMN COCC(C)(C)C(=O)C(C#N)c1nc2ccccc2o1 ZINC000756520575 574122079 /nfs/dbraw/zinc/12/20/79/574122079.db2.gz SODPFRVVGDZETQ-SNVBAGLBSA-N 0 1 272.304 2.677 20 30 CFEDMN Cc1cc(NN=Cc2cc(Cl)ccc2O)ncn1 ZINC000731935880 574135601 /nfs/dbraw/zinc/13/56/01/574135601.db2.gz UZTVBZZZHSFURU-UHFFFAOYSA-N 0 1 262.700 2.590 20 30 CFEDMN C#CCN(Cc1ccc(OC)c(OC)c1OC)C(C)C ZINC000746148191 574137190 /nfs/dbraw/zinc/13/71/90/574137190.db2.gz VEHUMXWQKUVUMK-UHFFFAOYSA-N 0 1 277.364 2.556 20 30 CFEDMN C[N@H+](Cc1cccs1)[C@@H](C(=O)[O-])c1ccc(C#N)cc1 ZINC000737494568 574144687 /nfs/dbraw/zinc/14/46/87/574144687.db2.gz VMBLWEMUCYKJTH-CQSZACIVSA-N 0 1 286.356 2.877 20 30 CFEDMN C[N@@H+](Cc1cccs1)[C@@H](C(=O)[O-])c1ccc(C#N)cc1 ZINC000737494568 574144690 /nfs/dbraw/zinc/14/46/90/574144690.db2.gz VMBLWEMUCYKJTH-CQSZACIVSA-N 0 1 286.356 2.877 20 30 CFEDMN Cc1nn(C)cc1C=NNc1ccc(C(F)(F)F)cn1 ZINC000755487400 574164641 /nfs/dbraw/zinc/16/46/41/574164641.db2.gz DEIHKMMOHIRLBF-UHFFFAOYSA-N 0 1 283.257 2.588 20 30 CFEDMN CCCC1CCC(C=Nn2c(=O)c(C)n[nH]c2=S)CC1 ZINC000755508496 574166380 /nfs/dbraw/zinc/16/63/80/574166380.db2.gz NHCFFOPKUMLQRP-UHFFFAOYSA-N 0 1 294.424 2.676 20 30 CFEDMN CCCCC[C@@H](C)CNC(=S)NN=Cc1[nH]cnc1C ZINC000755519694 574166859 /nfs/dbraw/zinc/16/68/59/574166859.db2.gz NOIPWULSVKYKPR-LLVKDONJSA-N 0 1 295.456 2.733 20 30 CFEDMN Cc1nc[nH]c1C=NNCc1ccc(Br)cc1 ZINC000755682987 574178002 /nfs/dbraw/zinc/17/80/02/574178002.db2.gz MOJOYBGAZVUINQ-UHFFFAOYSA-N 0 1 293.168 2.604 20 30 CFEDMN CCC(=NNc1ccnc2ccccc21)c1nccn1C ZINC000755698170 574178491 /nfs/dbraw/zinc/17/84/91/574178491.db2.gz AMOSFEVCNVBBNA-UHFFFAOYSA-N 0 1 279.347 2.616 20 30 CFEDMN Cc1nc(Cl)cc(NN=Cc2ccccc2C#N)n1 ZINC000755745456 574183731 /nfs/dbraw/zinc/18/37/31/574183731.db2.gz VXINRPKGCAPWCS-UHFFFAOYSA-N 0 1 271.711 2.756 20 30 CFEDMN C[C@@H]1CN(C2CC2)CC1N=Nc1ccc(F)cc1F ZINC000755874972 574193968 /nfs/dbraw/zinc/19/39/68/574193968.db2.gz SOLOUNDNNRNOTL-SECBINFHSA-N 0 1 265.307 2.847 20 30 CFEDMN Cc1ccnc(N=NCc2c[nH]nc2-c2cccnc2)c1 ZINC000755902420 574195295 /nfs/dbraw/zinc/19/52/95/574195295.db2.gz LSMADZNKZJZJRL-UHFFFAOYSA-N 0 1 278.319 2.621 20 30 CFEDMN CCCN1c2ccccc2C(=NNc2cc(C)ccn2)C1=O ZINC000755901909 574195302 /nfs/dbraw/zinc/19/53/02/574195302.db2.gz IOHSNFIXEPNRNK-UHFFFAOYSA-N 0 1 294.358 2.963 20 30 CFEDMN COCCOc1ccc(C=NNc2cc(C)ccn2)cc1 ZINC000755906736 574196818 /nfs/dbraw/zinc/19/68/18/574196818.db2.gz PUSYLOUVKCXBNH-UHFFFAOYSA-N 0 1 285.347 2.861 20 30 CFEDMN Cc1ccnc(NN=C2c3ccc(C)c(C)c3NC2=O)c1 ZINC000755907127 574196880 /nfs/dbraw/zinc/19/68/80/574196880.db2.gz UTZOUPSZIDKHOS-UHFFFAOYSA-N 0 1 280.331 2.775 20 30 CFEDMN C=CCCCCCN(C)CN1C[C@@](C)(COC)CC1=O ZINC000747458847 574196979 /nfs/dbraw/zinc/19/69/79/574196979.db2.gz CEXRFJHFUHLBIQ-INIZCTEOSA-N 0 1 282.428 2.507 20 30 CFEDMN N#CC(C(=O)[C@H]1CC12CCCC2)c1nnc2n1CCCCC2 ZINC000747479258 574197579 /nfs/dbraw/zinc/19/75/79/574197579.db2.gz KFNZXZWBKNUHBH-QWHCGFSZSA-N 0 1 298.390 2.761 20 30 CFEDMN COC(=O)c1ccc(C=NN=c2ccc3ccccc3[nH]2)[nH]1 ZINC000747626136 574203688 /nfs/dbraw/zinc/20/36/88/574203688.db2.gz VILSFOXHMGPNFV-UHFFFAOYSA-N 0 1 294.314 2.796 20 30 CFEDMN CCC[N@@H+](Cc1cccc(C#N)c1)[C@@H]1CCN(C(=O)[O-])C1 ZINC000739359395 574209810 /nfs/dbraw/zinc/20/98/10/574209810.db2.gz LBGKNFGBIGXHNI-OAHLLOKOSA-N 0 1 287.363 2.523 20 30 CFEDMN C[C@@H](CC(=O)Nc1cc(C#N)ccc1O)n1cccc1 ZINC000748003450 574224402 /nfs/dbraw/zinc/22/44/02/574224402.db2.gz VTQNRYIJVMJGHU-NSHDSACASA-N 0 1 269.304 2.655 20 30 CFEDMN N#Cc1csc(CNCc2cccc3c2OCCO3)c1 ZINC000748099187 574229383 /nfs/dbraw/zinc/22/93/83/574229383.db2.gz GYAXXNWCYXXFBU-UHFFFAOYSA-N 0 1 286.356 2.681 20 30 CFEDMN N#CC(C(=O)C1CCC1)=C(O)C1(c2ccccc2)CC1 ZINC000748115724 574229975 /nfs/dbraw/zinc/22/99/75/574229975.db2.gz VCKHUIGINKBHFE-CQSZACIVSA-N 0 1 267.328 2.796 20 30 CFEDMN C#CCN1CCC[C@H]1COC(=O)[C@H](C)c1ccc(CC)cc1 ZINC000729812046 574233023 /nfs/dbraw/zinc/23/30/23/574233023.db2.gz JXCNZMBALPHTBJ-QAPCUYQASA-N 0 1 299.414 2.993 20 30 CFEDMN C#CCN1CCC[C@H]1COC(=O)c1ccc(OCC=C)cc1 ZINC000756541522 574244973 /nfs/dbraw/zinc/24/49/73/574244973.db2.gz CHLBGKKIMMCBPE-INIZCTEOSA-N 0 1 299.370 2.506 20 30 CFEDMN C#CCN1CCC[C@H]1COC(=O)[C@@H](C)Cc1ccccc1 ZINC000756545900 574245808 /nfs/dbraw/zinc/24/58/08/574245808.db2.gz XCTKOMIZQUAJCC-RDJZCZTQSA-N 0 1 285.387 2.506 20 30 CFEDMN Cc1ccccc1OCC(=O)Nc1cc(C#N)ccc1O ZINC000748410444 574251340 /nfs/dbraw/zinc/25/13/40/574251340.db2.gz KUDCSHIQVCRVDX-UHFFFAOYSA-N 0 1 282.299 2.590 20 30 CFEDMN N#Cc1ccc(O)c(NC(=O)[C@@H]2CC23CCCC3)c1 ZINC000748411188 574251395 /nfs/dbraw/zinc/25/13/95/574251395.db2.gz LHJDKKCVNWSPHI-NSHDSACASA-N 0 1 256.305 2.783 20 30 CFEDMN Oc1ccc(CN=Nc2cnnc3ccccc23)cc1 ZINC000733750290 574255369 /nfs/dbraw/zinc/25/53/69/574255369.db2.gz SHGORAHFDXZLDA-UHFFFAOYSA-N 0 1 264.288 2.781 20 30 CFEDMN CN1Cc2ccccc2[C@H](/N=C\c2cccc(O)c2O)C1 ZINC000756841163 574267224 /nfs/dbraw/zinc/26/72/24/574267224.db2.gz LNHKVMFNRZCBIY-FNMPFJKNSA-N 0 1 282.343 2.703 20 30 CFEDMN CCCCCCCCN1CCN(C(=O)N(C)C)CC1 ZINC000740874995 574272065 /nfs/dbraw/zinc/27/20/65/574272065.db2.gz XAFJAWALWAQPIE-UHFFFAOYSA-N 0 1 269.433 2.646 20 30 CFEDMN C#CCN(CC(=O)N[C@@H]1CCC[C@@H](C)[C@H]1C)C1CCCC1 ZINC000756911558 574272512 /nfs/dbraw/zinc/27/25/12/574272512.db2.gz VKBLOMYZTOOVJB-BFYDXBDKSA-N 0 1 290.451 2.805 20 30 CFEDMN CC(C)CCCCCC(=O)C(C#N)C(=O)NC1CC1 ZINC000749025155 574277167 /nfs/dbraw/zinc/27/71/67/574277167.db2.gz AYTIBYGRLMGSHU-ZDUSSCGKSA-N 0 1 264.369 2.580 20 30 CFEDMN C[C@H](C(=O)OCc1ccc(C#N)cc1)N1[C@H](C)CC[C@H]1C ZINC000741015907 574277759 /nfs/dbraw/zinc/27/77/59/574277759.db2.gz FGMISYDJYJPKTJ-MGPQQGTHSA-N 0 1 286.375 2.863 20 30 CFEDMN C[C@@H]1CN(Cc2ccccn2)CCC1N=Nc1ccccn1 ZINC000734364152 574283794 /nfs/dbraw/zinc/28/37/94/574283794.db2.gz WXGYJQJWAHFQMX-CQSZACIVSA-N 0 1 295.390 2.787 20 30 CFEDMN COc1ccc(CN2CCC(n3cccn3)CC2)cc1C#N ZINC000749515100 574298873 /nfs/dbraw/zinc/29/88/73/574298873.db2.gz SUSVMUNLADUQAQ-UHFFFAOYSA-N 0 1 296.374 2.600 20 30 CFEDMN C=CCCN1CCN(C(=O)OCc2ccccc2)CC1 ZINC000749532446 574299390 /nfs/dbraw/zinc/29/93/90/574299390.db2.gz YYYSKIZHIZMMQD-UHFFFAOYSA-N 0 1 274.364 2.517 20 30 CFEDMN CC(=NNc1ccccc1[N+](=O)[O-])c1cncs1 ZINC000734744533 574300849 /nfs/dbraw/zinc/30/08/49/574300849.db2.gz RZTQATJUKJTCLP-UHFFFAOYSA-N 0 1 262.294 2.887 20 30 CFEDMN C=CC1CCN([C@@H]2CCN(c3ccc(C)cc3)C2=O)CC1 ZINC000741783644 574303312 /nfs/dbraw/zinc/30/33/12/574303312.db2.gz CBGKPMOMEPHFEU-QGZVFWFLSA-N 0 1 284.403 2.998 20 30 CFEDMN Brc1ccoc1CN=Nc1ccccn1 ZINC000735228427 574316008 /nfs/dbraw/zinc/31/60/08/574316008.db2.gz VZVIOSMOQRKRQT-UHFFFAOYSA-N 0 1 266.098 2.883 20 30 CFEDMN Cc1cccc2nc([C@H](C#N)C(=O)CCOC(C)C)[nH]c21 ZINC000735791648 574335609 /nfs/dbraw/zinc/33/56/09/574335609.db2.gz ASSFFHNZQRREJV-GFCCVEGCSA-N 0 1 285.347 2.863 20 30 CFEDMN COCCCCC(=O)[C@H](C#N)c1nc2cccc(C)c2[nH]1 ZINC000735792946 574335831 /nfs/dbraw/zinc/33/58/31/574335831.db2.gz PDVGGOUUEOTYBJ-LBPRGKRZSA-N 0 1 285.347 2.864 20 30 CFEDMN Cc1noc(C)c1[C@@H](C)C(=O)C(C#N)c1cc(C)nc(C)n1 ZINC000750390614 574337612 /nfs/dbraw/zinc/33/76/12/574337612.db2.gz AIOXBQPRRNFRED-NOZJJQNGSA-N 0 1 298.346 2.678 20 30 CFEDMN C=C(C)[C@H](CO)N1CC[C@@H](Oc2ccccc2Cl)C1 ZINC000678049503 574344083 /nfs/dbraw/zinc/34/40/83/574344083.db2.gz KXEUWYOMDIAICY-OCCSQVGLSA-N 0 1 281.783 2.730 20 30 CFEDMN N#CCCCC[N@H+](CC(=O)[O-])Cc1ccc(F)c(F)c1 ZINC000739069225 574344270 /nfs/dbraw/zinc/34/42/70/574344270.db2.gz OBZGGTKOCIUOBK-UHFFFAOYSA-N 0 1 282.290 2.545 20 30 CFEDMN Clc1ccc2c(c1)CCC2=NNc1ncnc2nc[nH]c21 ZINC000743438083 574364349 /nfs/dbraw/zinc/36/43/49/574364349.db2.gz JRSWBDCGPVIXIC-UHFFFAOYSA-N 0 1 298.737 2.769 20 30 CFEDMN COc1ccc(CNCC#Cc2ccccc2)cc1[N+](=O)[O-] ZINC000736355787 574364637 /nfs/dbraw/zinc/36/46/37/574364637.db2.gz XZPUGARXKDFPCV-UHFFFAOYSA-N 0 1 296.326 2.745 20 30 CFEDMN O=C(/C=C/c1cc(O)ccc1[N+](=O)[O-])c1ccc(O)cc1 ZINC000751205336 574371982 /nfs/dbraw/zinc/37/19/82/574371982.db2.gz BFAJJHMSJAJINX-FPYGCLRLSA-N 0 1 285.255 2.902 20 30 CFEDMN Cc1ccc(N(CCC#N)C(=O)CN(C)C2CCC2)cc1 ZINC000743852735 574374126 /nfs/dbraw/zinc/37/41/26/574374126.db2.gz CXWOIFIXWHEXBY-UHFFFAOYSA-N 0 1 285.391 2.726 20 30 CFEDMN C[C@@]1(C#N)CCCN(CC2CCC3(CC2)OCCO3)C1 ZINC000753749886 574409793 /nfs/dbraw/zinc/40/97/93/574409793.db2.gz QSNAKDZHPQQENW-HNNXBMFYSA-N 0 1 278.396 2.545 20 30 CFEDMN C#CCN(C(=O)c1cccc2[nH]c(C(F)F)nc21)C1CC1 ZINC000935404892 649904996 /nfs/dbraw/zinc/90/49/96/649904996.db2.gz RLOTZIFPXAWOFS-UHFFFAOYSA-N 0 1 289.285 2.738 20 30 CFEDMN C=C[C@@H](CC)CC(=O)NCCc1nnc(-c2ccccc2)[nH]1 ZINC000935400310 649905226 /nfs/dbraw/zinc/90/52/26/649905226.db2.gz DDQXESXRHSXWBL-ZDUSSCGKSA-N 0 1 298.390 2.733 20 30 CFEDMN CCC[N@@H+](CCCC(=O)[O-])Cc1ccc(C#N)cc1 ZINC000737021268 600224860 /nfs/dbraw/zinc/22/48/60/600224860.db2.gz WYDJRGJFEYMIKS-UHFFFAOYSA-N 0 1 260.337 2.635 20 30 CFEDMN CCCC[C@H](C(=O)[O-])[N@@H+](C)Cc1cccc(C#N)c1 ZINC000132639715 600985644 /nfs/dbraw/zinc/98/56/44/600985644.db2.gz NIJGECDNSJFTBE-CQSZACIVSA-N 0 1 260.337 2.633 20 30 CFEDMN CC[C@@H]1CCC[N@H+]([C@H](C(=O)[O-])c2cccc(C#N)c2)C1 ZINC000829126402 601311322 /nfs/dbraw/zinc/31/13/22/601311322.db2.gz YMPVFNNRPDKORE-DOMZBBRYSA-N 0 1 272.348 2.806 20 30 CFEDMN CC(C)CC[N@@H+](CCC#N)C[C@H]1CCCN(C(=O)[O-])C1 ZINC000824238180 603567385 /nfs/dbraw/zinc/56/73/85/603567385.db2.gz BIIAIKVJYUWRKH-CQSZACIVSA-N 0 1 281.400 2.638 20 30 CFEDMN C=C(C)CN1CCC[C@@H](NC(=O)C2CCC(F)CC2)C1 ZINC001008429321 651148312 /nfs/dbraw/zinc/14/83/12/651148312.db2.gz QUKCABMHXHNYBN-YMAMQOFZSA-N 0 1 282.403 2.671 20 30 CFEDMN CC(C)C[N@@H+](CCC(=O)[O-])Cc1ccc(C#N)s1 ZINC000833486840 604578372 /nfs/dbraw/zinc/57/83/72/604578372.db2.gz SFNBWVYTKDZQPI-UHFFFAOYSA-N 0 1 266.366 2.552 20 30 CFEDMN C[C@@H]1CCC[N@@H+](Cc2cccc(C(=O)[O-])c2C#N)[C@@H]1C ZINC000833613120 604611010 /nfs/dbraw/zinc/61/10/10/604611010.db2.gz DJAXQUPBHKJOCL-VXGBXAGGSA-N 0 1 272.348 2.877 20 30 CFEDMN C[C@H]1C[N@@H+](Cc2ccccc2C(C)(C)C#N)C[C@@H]1C(=O)[O-] ZINC000828464325 604675210 /nfs/dbraw/zinc/67/52/10/604675210.db2.gz UCEGNDPDIBUNKL-JSGCOSHPSA-N 0 1 286.375 2.640 20 30 CFEDMN CC(C)(C(=O)[O-])[C@H]1CCC[N@@H+](CCCCC#N)C1 ZINC000135029529 604930011 /nfs/dbraw/zinc/93/00/11/604930011.db2.gz WJYOPZNWFYMDNK-LBPRGKRZSA-N 0 1 252.358 2.503 20 30 CFEDMN C#CC[N@H+](Cc1ccc(C(=O)[O-])[nH]1)[C@H]1CCc2ccccc21 ZINC000833364207 605099406 /nfs/dbraw/zinc/09/94/06/605099406.db2.gz HGHHANXCNUQMRX-KRWDZBQOSA-N 0 1 294.354 2.836 20 30 CFEDMN C[C@@H](CNC(=O)[O-])[N@@H+](C)Cc1ccccc1C(C)(C)C#N ZINC000824966319 605277773 /nfs/dbraw/zinc/27/77/73/605277773.db2.gz DDAGMBJXQVVFTD-LBPRGKRZSA-N 0 1 289.379 2.576 20 30 CFEDMN C=CCCCCC[N@H+](C)C[C@@H]1CC(C(=O)[O-])=C(C)O1 ZINC000833373983 605339775 /nfs/dbraw/zinc/33/97/75/605339775.db2.gz MDTCMYSVAFLNRS-ZDUSSCGKSA-N 0 1 267.369 2.812 20 30 CFEDMN C[C@@]1(C#N)CCC[N@@H+]([C@H](C(=O)[O-])c2ccccc2F)C1 ZINC000833551229 605419512 /nfs/dbraw/zinc/41/95/12/605419512.db2.gz JWMPSHPMCCNLBW-ZFWWWQNUSA-N 0 1 276.311 2.577 20 30 CFEDMN C[C@@]1(C#N)CCC[N@H+]([C@H](C(=O)[O-])c2ccccc2F)C1 ZINC000833551229 605419517 /nfs/dbraw/zinc/41/95/17/605419517.db2.gz JWMPSHPMCCNLBW-ZFWWWQNUSA-N 0 1 276.311 2.577 20 30 CFEDMN C=CC[N@H+](CCc1ccco1)C[C@@H]1CCCN(C(=O)[O-])C1 ZINC000833788071 605561664 /nfs/dbraw/zinc/56/16/64/605561664.db2.gz MMGUJKISIRXYHF-AWEZNQCLSA-N 0 1 292.379 2.700 20 30 CFEDMN C[C@H](c1ccc(C#N)cc1)[N@H+]1C[C@H](CNC(=O)[O-])C[C@H]1C ZINC000833830494 605893339 /nfs/dbraw/zinc/89/33/39/605893339.db2.gz KAXVDIXMPQBUSS-BZPMIXESSA-N 0 1 287.363 2.597 20 30 CFEDMN CN(CC(=O)N[C@@H](C#N)c1ccc(Cl)cc1)C1CCC1 ZINC000900609087 620694478 /nfs/dbraw/zinc/69/44/78/620694478.db2.gz VCWXGUIWUNPJMQ-AWEZNQCLSA-N 0 1 291.782 2.505 20 30 CFEDMN CC[C@H](C)CN=Nc1oc(C(C)(C)C)nc1-c1nn[nH]n1 ZINC000825059686 607887350 /nfs/dbraw/zinc/88/73/50/607887350.db2.gz IRHGMMMBBVJLQP-QMMMGPOBSA-N 0 1 291.359 2.596 20 30 CFEDMN CC(C)NC(=O)C(C#N)C(=O)CCCSC(C)(C)C ZINC000155147268 624651761 /nfs/dbraw/zinc/65/17/61/624651761.db2.gz BYAIQKJOUSERFE-LLVKDONJSA-N 0 1 284.425 2.532 20 30 CFEDMN C#CCCN1CC[C@H](C)[C@H](NC(=O)c2sccc2C)C1 ZINC000964683147 613025209 /nfs/dbraw/zinc/02/52/09/613025209.db2.gz HSEMBVAQTBXVPC-GXTWGEPZSA-N 0 1 290.432 2.520 20 30 CFEDMN C#CCN(C)[C@@H]1CCN(C(=O)c2ccccc2C2(C)CC2)C1 ZINC000972317912 613087091 /nfs/dbraw/zinc/08/70/91/613087091.db2.gz RQNSNKZAIMZWPS-OAHLLOKOSA-N 0 1 296.414 2.518 20 30 CFEDMN C#CCN(C)[C@@H]1CCN(C(=O)c2coc3c2cccc3C)C1 ZINC000971688990 613087829 /nfs/dbraw/zinc/08/78/29/613087829.db2.gz BNBIRYMEVOXGHT-CQSZACIVSA-N 0 1 296.370 2.521 20 30 CFEDMN C#CCN(C)[C@@H]1CCN(C(=O)c2oc3ccccc3c2C)C1 ZINC000980325227 613088217 /nfs/dbraw/zinc/08/82/17/613088217.db2.gz KVNCFSSZFYFNOP-CQSZACIVSA-N 0 1 296.370 2.521 20 30 CFEDMN C#CCN(C)[C@H]1CCN(C(=O)C(C)(C)C2CCCCC2)C1 ZINC000972505687 613088924 /nfs/dbraw/zinc/08/89/24/613088924.db2.gz CQNFNLSLMGTMQZ-INIZCTEOSA-N 0 1 290.451 2.759 20 30 CFEDMN C#CCN(C)[C@H]1CCN(C(=O)CC2CCCCCC2)C1 ZINC000972432881 613089445 /nfs/dbraw/zinc/08/94/45/613089445.db2.gz IBMNDYRYIXJSMP-INIZCTEOSA-N 0 1 276.424 2.513 20 30 CFEDMN C#CCN(C)[C@H]1CCN(C(=O)[C@H](C)c2ccc(CC)cc2)C1 ZINC000972553682 613092192 /nfs/dbraw/zinc/09/21/92/613092192.db2.gz CIVSOGVONDANTC-QAPCUYQASA-N 0 1 298.430 2.518 20 30 CFEDMN C#CCN(C)[C@H]1CCN(C(=O)c2cc3cccc(C)c3o2)C1 ZINC000980493938 613094578 /nfs/dbraw/zinc/09/45/78/613094578.db2.gz KHFOMZUKGYWNLU-HNNXBMFYSA-N 0 1 296.370 2.521 20 30 CFEDMN C#CCN(C)[C@H]1CCN(C(=O)c2ccc(C3CCC3)cc2)C1 ZINC000971641862 613094779 /nfs/dbraw/zinc/09/47/79/613094779.db2.gz ORUCHNBMSRAYRO-SFHVURJKSA-N 0 1 296.414 2.734 20 30 CFEDMN C#CCN1CCCCC[C@H]1CNC(=O)C1CC2(CCC2)C1 ZINC000968984676 613148178 /nfs/dbraw/zinc/14/81/78/613148178.db2.gz GRDJIAOCLKZGEC-INIZCTEOSA-N 0 1 288.435 2.561 20 30 CFEDMN C#CCN1CCCCC[C@H]1CNC(=O)[C@H]1CC[C@H](C)CC1 ZINC000969121411 613148526 /nfs/dbraw/zinc/14/85/26/613148526.db2.gz HMJRIFGIRZTCJR-ULQDDVLXSA-N 0 1 290.451 2.807 20 30 CFEDMN C#CCN1CCCCC[C@H]1CNC(=O)c1ccccc1C ZINC000968736029 613149391 /nfs/dbraw/zinc/14/93/91/613149391.db2.gz YMMLSGBAKKOTII-INIZCTEOSA-N 0 1 284.403 2.603 20 30 CFEDMN C#CCN1CC[C@@H](NC(=O)c2cc(Cl)cs2)C[C@@H]1C ZINC000947774966 613233777 /nfs/dbraw/zinc/23/37/77/613233777.db2.gz JIFPVHZVMWHDSQ-CMPLNLGQSA-N 0 1 296.823 2.617 20 30 CFEDMN C=C(C)CCN1CC(N(CC)C(=O)[C@@H]2CC[C@H](C)C2)C1 ZINC000952393623 613245012 /nfs/dbraw/zinc/24/50/12/613245012.db2.gz CYYHQJHMDFRKBQ-LSDHHAIUSA-N 0 1 278.440 2.922 20 30 CFEDMN C=C(C)CCN1CC(N(CC)C(=O)[C@@H]2CC[C@H]3C[C@H]3C2)C1 ZINC000950673100 613245146 /nfs/dbraw/zinc/24/51/46/613245146.db2.gz QYWGYEJATSSMMS-XHSDSOJGSA-N 0 1 290.451 2.922 20 30 CFEDMN C=C(C)CCN1CC(N(CC)C(=O)[C@H]2CC[C@H](C)C2)C1 ZINC000952393621 613245500 /nfs/dbraw/zinc/24/55/00/613245500.db2.gz CYYHQJHMDFRKBQ-GJZGRUSLSA-N 0 1 278.440 2.922 20 30 CFEDMN C=C(C)CCN1CC(N(CC)C(=O)[C@@H]2C[C@H]2C(C)C)C1 ZINC000957059954 613245794 /nfs/dbraw/zinc/24/57/94/613245794.db2.gz WVCSVLXSFUAUSB-JKSUJKDBSA-N 0 1 278.440 2.777 20 30 CFEDMN C=C(C)CCN1CCN(C(=O)C(C)(C)CC)CC1 ZINC000949971161 613257290 /nfs/dbraw/zinc/25/72/90/613257290.db2.gz HXQDPZILCTZMRG-UHFFFAOYSA-N 0 1 252.402 2.533 20 30 CFEDMN C=C(C)CCN1CCN(C(=O)Cc2ccc(C)s2)CC1 ZINC000957771774 613258689 /nfs/dbraw/zinc/25/86/89/613258689.db2.gz MDYJOLUJCXLPFW-UHFFFAOYSA-N 0 1 292.448 2.709 20 30 CFEDMN C#CCN1CC[C@H](NC(=O)CC2CC(C)(C)C2)C(C)(C)C1 ZINC000940976085 613258915 /nfs/dbraw/zinc/25/89/15/613258915.db2.gz QKSBCTLONGVXSX-HNNXBMFYSA-N 0 1 290.451 2.663 20 30 CFEDMN C=C(C)CCN1CCN(C(=O)[C@@]2(C)CCC[C@H]2C)CC1 ZINC000950332955 613259729 /nfs/dbraw/zinc/25/97/29/613259729.db2.gz YJAJAGPMIOKDPZ-WBVHZDCISA-N 0 1 278.440 2.923 20 30 CFEDMN C#CCN1CC[C@H](NC(=O)[C@@H](C)c2ccccc2)C(C)(C)C1 ZINC000941169355 613262631 /nfs/dbraw/zinc/26/26/31/613262631.db2.gz MNYKCWSAONEBQH-RDJZCZTQSA-N 0 1 298.430 2.640 20 30 CFEDMN C#CCN1CC[C@H](NC(=O)c2cc(C)cc(C)c2)C(C)(C)C1 ZINC000941184115 613265746 /nfs/dbraw/zinc/26/57/46/613265746.db2.gz KACDBANXRRRWBS-KRWDZBQOSA-N 0 1 298.430 2.767 20 30 CFEDMN C#CCN1CC[C@H](NC(=O)c2cc(Cl)cs2)C[C@H]1C ZINC000947774968 613266162 /nfs/dbraw/zinc/26/61/62/613266162.db2.gz JIFPVHZVMWHDSQ-PWSUYJOCSA-N 0 1 296.823 2.617 20 30 CFEDMN C#CCN1CC[C@H](NC(=O)c2csc(Cl)c2)C[C@@H]1C ZINC000947776806 613276820 /nfs/dbraw/zinc/27/68/20/613276820.db2.gz YMTACDZXQBOWRC-JQWIXIFHSA-N 0 1 296.823 2.617 20 30 CFEDMN C#CCN1C[C@@H](NC(=O)[C@@H](C)c2ccc(C)cc2)C(C)(C)C1 ZINC000977516914 613281283 /nfs/dbraw/zinc/28/12/83/613281283.db2.gz TUHWWCCKVWYIKV-DOTOQJQBSA-N 0 1 298.430 2.558 20 30 CFEDMN C#CCN1C[C@@H](NC(=O)[C@@H]2C[C@H]2CC(C)(C)C)C(C)(C)C1 ZINC000974586403 613281821 /nfs/dbraw/zinc/28/18/21/613281821.db2.gz FAKIPIBCQLIIJK-RRFJBIMHSA-N 0 1 290.451 2.519 20 30 CFEDMN C#CCN1C[C@@H](NC(=O)[C@H](C)c2cccc(C)c2)C(C)(C)C1 ZINC000975083621 613282072 /nfs/dbraw/zinc/28/20/72/613282072.db2.gz KVGOVLXPMNSPRZ-NVXWUHKLSA-N 0 1 298.430 2.558 20 30 CFEDMN C=C(C)CN1CCCN(C(=O)[C@@H]2C[C@H]2C(C)(C)C)CC1 ZINC000981601915 613309956 /nfs/dbraw/zinc/30/99/56/613309956.db2.gz LYWKRNCHZSLMQE-HUUCEWRRSA-N 0 1 278.440 2.779 20 30 CFEDMN C=C(C)CN1CCCN(C(=O)[C@H]2CC[C@@H](C)C2)CC1 ZINC000982072326 613310948 /nfs/dbraw/zinc/31/09/48/613310948.db2.gz UAPFQXYSYWTTDT-CABCVRRESA-N 0 1 264.413 2.533 20 30 CFEDMN C=C(C)CN1CCCN(C(=O)c2cccc(C)c2F)CC1 ZINC000981211365 613312710 /nfs/dbraw/zinc/31/27/10/613312710.db2.gz PUOPWEWURYSTDS-UHFFFAOYSA-N 0 1 290.382 2.858 20 30 CFEDMN C=C(C)CN1CC[C@@H](C)[C@@H](NC(=O)c2ccc(C)o2)C1 ZINC000964908123 613324512 /nfs/dbraw/zinc/32/45/12/613324512.db2.gz UJZDBKZOQTYBCP-OCCSQVGLSA-N 0 1 276.380 2.604 20 30 CFEDMN C=C(C)CN1CC[C@@H](C)[C@H](NC(=O)c2cc(C)oc2C)C1 ZINC000964931356 613326207 /nfs/dbraw/zinc/32/62/07/613326207.db2.gz DGHFAKJLGOBAAD-MLGOLLRUSA-N 0 1 290.407 2.913 20 30 CFEDMN C=C(C)CN1CC[C@@H](C)[C@H](NC(=O)c2sccc2F)C1 ZINC000965996357 613326280 /nfs/dbraw/zinc/32/62/80/613326280.db2.gz QACINAHEFOIGQH-DGCLKSJQSA-N 0 1 296.411 2.904 20 30 CFEDMN C=C(C)CN1CC[C@@H](C)[C@H](NC(=O)c2oc(C)cc2C)C1 ZINC000965722711 613326485 /nfs/dbraw/zinc/32/64/85/613326485.db2.gz RBCYXDLCZLJDDK-IUODEOHRSA-N 0 1 290.407 2.913 20 30 CFEDMN C=C(C)CN1CC[C@H](C)[C@H](NC(=O)c2occc2Cl)C1 ZINC000968234681 613334512 /nfs/dbraw/zinc/33/45/12/613334512.db2.gz PSORYWJKTSHCTM-WCQYABFASA-N 0 1 296.798 2.949 20 30 CFEDMN C=C(C)CN1C[C@@H](NC(=O)c2ccc(Cl)o2)C(C)(C)C1 ZINC000972814508 613338525 /nfs/dbraw/zinc/33/85/25/613338525.db2.gz WYUGIWFENNNKQF-GFCCVEGCSA-N 0 1 296.798 2.949 20 30 CFEDMN C=C(C)CN1C[C@@H](NC(=O)c2oc(C)cc2C)C(C)(C)C1 ZINC000973013582 613338819 /nfs/dbraw/zinc/33/88/19/613338819.db2.gz USHIFDWPPDOKEJ-CQSZACIVSA-N 0 1 290.407 2.913 20 30 CFEDMN C=C(C)CN1C[C@H](NC(=O)c2ccsc2)C(C)(C)C1 ZINC000972793205 613342538 /nfs/dbraw/zinc/34/25/38/613342538.db2.gz DOQSRFXNXFBBHC-ZDUSSCGKSA-N 0 1 278.421 2.764 20 30 CFEDMN C=C(Cl)CN[C@@H]1CCN(C(=O)CC2(C)CCCC2)C1 ZINC000968577407 613384482 /nfs/dbraw/zinc/38/44/82/613384482.db2.gz BFEYHEHSGXERBL-CYBMUJFWSA-N 0 1 284.831 2.900 20 30 CFEDMN C=C(Cl)CN[C@@H]1CCN(C(=O)C[C@H]2C=CCCC2)C1 ZINC000969063218 613384729 /nfs/dbraw/zinc/38/47/29/613384729.db2.gz FGXBZJHKMZNSPV-UONOGXRCSA-N 0 1 282.815 2.676 20 30 CFEDMN C=C(Cl)CN[C@@H]1CCN(C(=O)[C@@H]2CCCC2(C)C)C1 ZINC000969622701 613385044 /nfs/dbraw/zinc/38/50/44/613385044.db2.gz KVQVQMQLWRQRCP-OLZOCXBDSA-N 0 1 284.831 2.756 20 30 CFEDMN C=C(Cl)CN[C@@H]1CCN(C(=O)c2c(C)cccc2F)C1 ZINC000970868150 613385516 /nfs/dbraw/zinc/38/55/16/613385516.db2.gz VPUUGMFMYBFILH-GFCCVEGCSA-N 0 1 296.773 2.691 20 30 CFEDMN C=C(Cl)CN[C@@H]1CCN(C(=O)c2cccn2C(C)C)C1 ZINC000970729038 613385776 /nfs/dbraw/zinc/38/57/76/613385776.db2.gz ANKRLWPPVNNIHC-CYBMUJFWSA-N 0 1 295.814 2.626 20 30 CFEDMN C=C(Cl)CN[C@@H]1CCN(C(=O)c2csc(C)c2C)C1 ZINC000968785460 613386008 /nfs/dbraw/zinc/38/60/08/613386008.db2.gz CIMHZDGKLIPMRI-GFCCVEGCSA-N 0 1 298.839 2.922 20 30 CFEDMN C=C(Cl)CN[C@H]1CN(C(=O)C2CCC(=C)CC2)C[C@H]1C ZINC000939049437 613386828 /nfs/dbraw/zinc/38/68/28/613386828.db2.gz LHGHDPSDOGSDIB-DOMZBBRYSA-N 0 1 296.842 2.922 20 30 CFEDMN C=C(Cl)CN[C@H]1CN(C(=O)C2(C)CC=CC2)C[C@H]1C ZINC000939067444 613386861 /nfs/dbraw/zinc/38/68/61/613386861.db2.gz FZXGHBKVWWPQRX-YPMHNXCESA-N 0 1 282.815 2.532 20 30 CFEDMN C=C1CCC(C(=O)N[C@@H]2CN(CC#CC)CC[C@@H]2C)CC1 ZINC000968216078 613410973 /nfs/dbraw/zinc/41/09/73/613410973.db2.gz ZMEVBSQYTKNDRF-DOTOQJQBSA-N 0 1 288.435 2.583 20 30 CFEDMN C=C[C@@](C)(CC)C(=O)N1CCN(CCC2CC2)CC1 ZINC000950051929 613473990 /nfs/dbraw/zinc/47/39/90/613473990.db2.gz ZUFHHGNTDACGRF-INIZCTEOSA-N 0 1 264.413 2.533 20 30 CFEDMN C=CCCN1CCN(C(=O)C2(c3ccccc3C)CC2)CC1 ZINC000957915408 613501962 /nfs/dbraw/zinc/50/19/62/613501962.db2.gz HATLALAZKFGTKS-UHFFFAOYSA-N 0 1 298.430 2.747 20 30 CFEDMN C=CCCN1CCN(C(=O)C(C)(CC)CC)CC1 ZINC000957707235 613501989 /nfs/dbraw/zinc/50/19/89/613501989.db2.gz ZFHYGTAFJWLHIA-UHFFFAOYSA-N 0 1 252.402 2.533 20 30 CFEDMN C=CCCN1CCN(C(=O)Cc2sc(C)cc2C)CC1 ZINC000957485794 613504686 /nfs/dbraw/zinc/50/46/86/613504686.db2.gz UZTUGPYUYYKQPN-UHFFFAOYSA-N 0 1 292.448 2.628 20 30 CFEDMN C=CCCN1CCN(C(=O)[C@@H](C)c2ccc(C)s2)CC1 ZINC000957311838 613505356 /nfs/dbraw/zinc/50/53/56/613505356.db2.gz SCMUJYBGKOWELK-AWEZNQCLSA-N 0 1 292.448 2.880 20 30 CFEDMN C=CCCN1CCN(C(=O)[C@H]2C[C@H](C)C[C@H](C)C2)CC1 ZINC000957819948 613506505 /nfs/dbraw/zinc/50/65/05/613506505.db2.gz URQQCJIVZJUHCB-ZSHCYNCHSA-N 0 1 278.440 2.779 20 30 CFEDMN C=CCCN1CCN(C(=O)[C@@H]2C[C@@H]2C2CCCC2)CC1 ZINC000956965553 613506644 /nfs/dbraw/zinc/50/66/44/613506644.db2.gz VRNOYJIRJQWODN-HZPDHXFCSA-N 0 1 276.424 2.533 20 30 CFEDMN C=CCCN1CCN(C(=O)[C@H]2CCCC[C@@H]2CC)CC1 ZINC000956973811 613508451 /nfs/dbraw/zinc/50/84/51/613508451.db2.gz IANGQEMEOCNXNR-HOTGVXAUSA-N 0 1 278.440 2.923 20 30 CFEDMN C=CCCN1CCN(C(=O)[C@H]2CCC[C@H]2CC)CC1 ZINC000950332329 613508559 /nfs/dbraw/zinc/50/85/59/613508559.db2.gz JRMINFFZDZZEOW-CABCVRRESA-N 0 1 264.413 2.533 20 30 CFEDMN C=CCCN1CCN(C(=O)c2ccc3[nH]ccc3c2)CC1 ZINC000949964304 613510759 /nfs/dbraw/zinc/51/07/59/613510759.db2.gz OSIDHRRZOFURBE-UHFFFAOYSA-N 0 1 283.375 2.502 20 30 CFEDMN CC#CCN1CC([C@@H](C)NC(=O)c2ccc3occc3c2)C1 ZINC000969724612 613533002 /nfs/dbraw/zinc/53/30/02/613533002.db2.gz GDTDEPIALUSIPQ-CYBMUJFWSA-N 0 1 296.370 2.506 20 30 CFEDMN CC#CCN1CC([C@H](C)NC(=O)[C@@H]2CCCCC2(C)C)C1 ZINC000970948977 613536329 /nfs/dbraw/zinc/53/63/29/613536329.db2.gz UXXJJTVTZCSREA-HOCLYGCPSA-N 0 1 290.451 2.663 20 30 CFEDMN CC#CCN1CC[C@@H](C)[C@H](NC(=O)CC2CC(C)(C)C2)C1 ZINC000967997848 613574532 /nfs/dbraw/zinc/57/45/32/613574532.db2.gz WQQUBHMACGEXOF-GDBMZVCRSA-N 0 1 290.451 2.663 20 30 CFEDMN CC#CCN1CC[C@H](C)[C@H](NC(=O)CC2CCCCC2)C1 ZINC000964770884 613593070 /nfs/dbraw/zinc/59/30/70/613593070.db2.gz JLODNXAJYLUQSJ-DOTOQJQBSA-N 0 1 290.451 2.807 20 30 CFEDMN CC#CCN1C[C@@H](NC(=O)c2ccccc2CC)C(C)(C)C1 ZINC000974961353 613611393 /nfs/dbraw/zinc/61/13/93/613611393.db2.gz IQZQGGYHCHZRLG-QGZVFWFLSA-N 0 1 298.430 2.713 20 30 CFEDMN CC#CCN1C[C@H](NC(=O)C2=CCCCCC2)C(C)(C)C1 ZINC000974505744 613619987 /nfs/dbraw/zinc/61/99/87/613619987.db2.gz IOOBCBPYRDCMHG-INIZCTEOSA-N 0 1 288.435 2.727 20 30 CFEDMN C=CCN1CC([C@@H](C)NC(=O)c2c(C)cc(F)cc2C)C1 ZINC000970262728 613663604 /nfs/dbraw/zinc/66/36/04/613663604.db2.gz UKDBBSLXHQDESW-CYBMUJFWSA-N 0 1 290.382 2.679 20 30 CFEDMN C=CCN1CC([C@H](C)NC(=O)[C@@H]2C[C@H]2c2cccc(C)c2)C1 ZINC000970565936 613669305 /nfs/dbraw/zinc/66/93/05/613669305.db2.gz FDTGMDFJGIRNPQ-JCGIZDLHSA-N 0 1 298.430 2.721 20 30 CFEDMN C=CCN1CC([C@H](C)NC(=O)c2cc(C)cc(C)c2)C1 ZINC000970800701 613670575 /nfs/dbraw/zinc/67/05/75/613670575.db2.gz LRTNEJVFEWXQDU-AWEZNQCLSA-N 0 1 272.392 2.540 20 30 CFEDMN C=CCN1CC([C@H](C)NC(=O)c2ccc(F)cc2Cl)C1 ZINC000970835957 613671640 /nfs/dbraw/zinc/67/16/40/613671640.db2.gz LUUNODHJKCKGBV-JTQLQIEISA-N 0 1 296.773 2.715 20 30 CFEDMN C=CCN1CCCN(C(=O)[C@@H]2CCCC[C@@H]2CC)CC1 ZINC000983386912 613691687 /nfs/dbraw/zinc/69/16/87/613691687.db2.gz BBHFVXIJWGTELD-JKSUJKDBSA-N 0 1 278.440 2.923 20 30 CFEDMN C=CCN1CCCN(C(=O)[C@@H]2C[C@]2(C)c2ccccc2)CC1 ZINC000981653597 613692491 /nfs/dbraw/zinc/69/24/91/613692491.db2.gz YBURIHVYURWRQD-PKOBYXMFSA-N 0 1 298.430 2.685 20 30 CFEDMN C=CCN1CC[C@@H](C)[C@@H](NC(=O)C2(C)CCCC2)C1 ZINC000967528825 613727051 /nfs/dbraw/zinc/72/70/51/613727051.db2.gz UVAFDCOJRNOEGP-KGLIPLIRSA-N 0 1 264.413 2.579 20 30 CFEDMN C=CCN1CC[C@@H](C)[C@@H](NC(=O)c2cccc(C)c2F)C1 ZINC000966269765 613729634 /nfs/dbraw/zinc/72/96/34/613729634.db2.gz WIAGEAUUQOSLFO-DOMZBBRYSA-N 0 1 290.382 2.760 20 30 CFEDMN C=CCN1CC[C@@H](C)[C@@H](NC(=O)c2ccc(F)c(F)c2)C1 ZINC000966719908 613729694 /nfs/dbraw/zinc/72/96/94/613729694.db2.gz GBYMHQPNZIXHEB-ABAIWWIYSA-N 0 1 294.345 2.591 20 30 CFEDMN C=CCN1CC[C@@H](C)[C@@H](NC(=O)c2cc(F)cc(F)c2)C1 ZINC000968624357 613729771 /nfs/dbraw/zinc/72/97/71/613729771.db2.gz RQLPLICSXNPVFF-ABAIWWIYSA-N 0 1 294.345 2.591 20 30 CFEDMN C=CCN1CC[C@@H](C)[C@@H](NC(=O)c2ccc3[nH]ccc3c2)C1 ZINC000968106897 613730197 /nfs/dbraw/zinc/73/01/97/613730197.db2.gz NCRFATXNACUYDH-DYVFJYSZSA-N 0 1 297.402 2.794 20 30 CFEDMN C=CCN1CC[C@@H](C)[C@H](NC(=O)c2ccoc2Cl)C1 ZINC000965929608 613735208 /nfs/dbraw/zinc/73/52/08/613735208.db2.gz BDUMBNNWMVFTKV-ZYHUDNBSSA-N 0 1 282.771 2.559 20 30 CFEDMN C=CCN1CC[C@H](C)[C@@H](NC(=O)C2(F)CCCCC2)C1 ZINC000968506578 613766896 /nfs/dbraw/zinc/76/68/96/613766896.db2.gz UWGTZXIWZUQTDI-KBPBESRZSA-N 0 1 282.403 2.671 20 30 CFEDMN C=CCN1CC[C@H](C)[C@@H](NC(=O)c2c(C)cccc2F)C1 ZINC000968690941 613768154 /nfs/dbraw/zinc/76/81/54/613768154.db2.gz CEBSSKNVXLMDMG-WFASDCNBSA-N 0 1 290.382 2.760 20 30 CFEDMN C=CCN1CC[C@H](C)[C@@H](NC(=O)c2cc(F)cc(F)c2)C1 ZINC000968624359 613768692 /nfs/dbraw/zinc/76/86/92/613768692.db2.gz RQLPLICSXNPVFF-NHYWBVRUSA-N 0 1 294.345 2.591 20 30 CFEDMN C=CCN1CC[C@H](C)[C@@H](NC(=O)c2cccc3cc[nH]c32)C1 ZINC000968344951 613769815 /nfs/dbraw/zinc/76/98/15/613769815.db2.gz FPUMHBSLZZHWBO-BBRMVZONSA-N 0 1 297.402 2.794 20 30 CFEDMN C=CCN1CC[C@H](C)[C@H](NC(=O)C2(C)CCCCC2)C1 ZINC000968211756 613771642 /nfs/dbraw/zinc/77/16/42/613771642.db2.gz LHRBJDNQWUQLRC-LSDHHAIUSA-N 0 1 278.440 2.969 20 30 CFEDMN C=CCN1CC[C@H](C)[C@H](NC(=O)C2=CCCCCC2)C1 ZINC000965946713 613771834 /nfs/dbraw/zinc/77/18/34/613771834.db2.gz QXRDSQFGSRBQOJ-GOEBONIOSA-N 0 1 276.424 2.890 20 30 CFEDMN C=CCN1CC[C@H](C)[C@H](NC(=O)C2C(C)(C)C2(C)C)C1 ZINC000965862343 613772000 /nfs/dbraw/zinc/77/20/00/613772000.db2.gz OUYHCKCRROLUDW-QWHCGFSZSA-N 0 1 278.440 2.681 20 30 CFEDMN C=CCN1CC[C@H](C)[C@H](NC(=O)[C@H]2CC[C@H](C)CC2)C1 ZINC000968560199 613772685 /nfs/dbraw/zinc/77/26/85/613772685.db2.gz BLIVNHULHXCHIX-YHUYYLMFSA-N 0 1 278.440 2.825 20 30 CFEDMN C=CCN1C[C@@H](NC(=O)c2[nH]ccc2C2CC2)C(C)(C)C1 ZINC000974655769 613809266 /nfs/dbraw/zinc/80/92/66/613809266.db2.gz YNQTVOKZMURXGB-CQSZACIVSA-N 0 1 287.407 2.518 20 30 CFEDMN C=CCN1C[C@@H](NC(=O)c2cc[nH]c2C(C)C)C(C)(C)C1 ZINC000974950959 613810290 /nfs/dbraw/zinc/81/02/90/613810290.db2.gz GMFZJXXKJHKVKP-CQSZACIVSA-N 0 1 289.423 2.764 20 30 CFEDMN C=CCN1C[C@H](NC(=O)Cc2ccc(C)s2)C(C)(C)C1 ZINC000977651811 613826961 /nfs/dbraw/zinc/82/69/61/613826961.db2.gz GSIHGHSHLFDZCF-AWEZNQCLSA-N 0 1 292.448 2.612 20 30 CFEDMN C=CCN1C[C@H](NC(=O)c2ccc(C=C)cc2)C(C)(C)C1 ZINC000975080209 613828838 /nfs/dbraw/zinc/82/88/38/613828838.db2.gz PNLMOFUYJZFSGO-INIZCTEOSA-N 0 1 284.403 2.956 20 30 CFEDMN C=CCN1C[C@H](NC(=O)c2cccc(F)c2F)C(C)(C)C1 ZINC000974967241 613829048 /nfs/dbraw/zinc/82/90/48/613829048.db2.gz XKWPOGUBUDFJRM-ZDUSSCGKSA-N 0 1 294.345 2.591 20 30 CFEDMN CC(C)C(=O)N[C@H]1CCN(Cc2ccccc2C#N)[C@@H](C)C1 ZINC000947069788 613955795 /nfs/dbraw/zinc/95/57/95/613955795.db2.gz CIXFUPCAEHFRMY-YOEHRIQHSA-N 0 1 299.418 2.683 20 30 CFEDMN C[C@@H]1CC[C@@H](CN(C)Cc2cc(C#N)cs2)O1 ZINC000933773278 617775677 /nfs/dbraw/zinc/77/56/77/617775677.db2.gz IULOVIXYDUCDRO-PWSUYJOCSA-N 0 1 250.367 2.619 20 30 CFEDMN C=CC[C@H]1CCN1[C@@H]1CCCN(c2ccc(C#N)cc2)C1=O ZINC000934462915 618041581 /nfs/dbraw/zinc/04/15/81/618041581.db2.gz VISJHBMXMPGHIM-DOTOQJQBSA-N 0 1 295.386 2.704 20 30 CFEDMN C[C@@H](CCC(=O)C(C#N)C(=O)NC1CC1)c1ccccc1 ZINC000160173949 617606199 /nfs/dbraw/zinc/60/61/99/617606199.db2.gz UUZGSJAYFNFCJH-WFASDCNBSA-N 0 1 284.359 2.558 20 30 CFEDMN C=CC[C@H]1CCN1C(=O)c1c(Cl)[nH]nc1C1CC1 ZINC000890548354 617637786 /nfs/dbraw/zinc/63/77/86/617637786.db2.gz QCVJKSHVUHZGPR-VIFPVBQESA-N 0 1 265.744 2.731 20 30 CFEDMN C=CC[C@@H]1CCN1C(=O)c1cc(-c2cccs2)[nH]n1 ZINC000890563603 617656102 /nfs/dbraw/zinc/65/61/02/617656102.db2.gz YNRRNGFPGXFZPN-SNVBAGLBSA-N 0 1 273.361 2.929 20 30 CFEDMN C=CC[N@H+]1CC[C@@]2(NC(=O)c3cc(CC)ccn3)CCC[C@@H]12 ZINC000990867251 620741663 /nfs/dbraw/zinc/74/16/63/620741663.db2.gz AFIYBUHCIGYSKF-AEFFLSMTSA-N 0 1 299.418 2.557 20 30 CFEDMN Cc1ccc(-c2cc(C(=O)O[C@H](C#N)C(C)C)[nH]n2)o1 ZINC000176037891 617690803 /nfs/dbraw/zinc/69/08/03/617690803.db2.gz PFGVHHNGMCUJOD-CYBMUJFWSA-N 0 1 273.292 2.683 20 30 CFEDMN COC(=O)c1ccc(/C=C\C(=O)c2ccc(O)cc2O)cc1 ZINC000255381172 617703757 /nfs/dbraw/zinc/70/37/57/617703757.db2.gz BMENTEQKUZWVJZ-WTKPLQERSA-N 0 1 298.294 2.781 20 30 CFEDMN C#C[C@H]1CCCCN1C(=O)c1cc(-c2ccccc2)[nH]n1 ZINC000890645627 617729987 /nfs/dbraw/zinc/72/99/87/617729987.db2.gz HIDGAQGXSIOJBZ-AWEZNQCLSA-N 0 1 279.343 2.705 20 30 CFEDMN Cc1cc(C)nc(CN2CCC3(CC2)CC(=O)C=CO3)c1 ZINC000933644463 617738554 /nfs/dbraw/zinc/73/85/54/617738554.db2.gz QCCQPQAPPMSUHS-UHFFFAOYSA-N 0 1 286.375 2.536 20 30 CFEDMN CN(Cc1csc(C#N)c1)C[C@@H]1CCCCO1 ZINC000891786327 617753376 /nfs/dbraw/zinc/75/33/76/617753376.db2.gz LNGWCSAPNLHZEL-LBPRGKRZSA-N 0 1 250.367 2.621 20 30 CFEDMN CCOC(=O)CCN(Cc1csc(C#N)c1)C1CC1 ZINC000891814564 617767034 /nfs/dbraw/zinc/76/70/34/617767034.db2.gz HPUYKOGNWQICGO-UHFFFAOYSA-N 0 1 278.377 2.537 20 30 CFEDMN CN(CCO[C@H]1CCCCO1)Cc1cc(C#N)cs1 ZINC000933773987 617774976 /nfs/dbraw/zinc/77/49/76/617774976.db2.gz UJCTXVATFKSCEH-AWEZNQCLSA-N 0 1 280.393 2.595 20 30 CFEDMN C=CCCCN(CC)C(=O)[C@@H]1C[C@H](C)Cc2c[nH]nc21 ZINC000890808821 617907465 /nfs/dbraw/zinc/90/74/65/617907465.db2.gz DIZYYPYXLWIKAP-TZMCWYRMSA-N 0 1 275.396 2.890 20 30 CFEDMN C=CCCCN(CC)C(=O)[C@H]1C[C@@H](C)Cc2c[nH]nc21 ZINC000890808819 617907472 /nfs/dbraw/zinc/90/74/72/617907472.db2.gz DIZYYPYXLWIKAP-JSGCOSHPSA-N 0 1 275.396 2.890 20 30 CFEDMN C=CCCCN(CC)C(=O)[C@H]1C[C@H](C)Cc2c[nH]nc21 ZINC000890808820 617907598 /nfs/dbraw/zinc/90/75/98/617907598.db2.gz DIZYYPYXLWIKAP-OCCSQVGLSA-N 0 1 275.396 2.890 20 30 CFEDMN CCOC(=O)[C@@H]1CC[N@@H+](CC#Cc2cccc(Cl)c2)C1 ZINC000932641257 617912853 /nfs/dbraw/zinc/91/28/53/617912853.db2.gz HIUVTSJQKHMSIJ-CQSZACIVSA-N 0 1 291.778 2.577 20 30 CFEDMN CCOC(=O)[C@@H]1CCN(CC#Cc2cccc(Cl)c2)C1 ZINC000932641257 617912857 /nfs/dbraw/zinc/91/28/57/617912857.db2.gz HIUVTSJQKHMSIJ-CQSZACIVSA-N 0 1 291.778 2.577 20 30 CFEDMN C#CCOc1ccc(CN2C[C@H](C)OC(C)(C)C2)cc1 ZINC000119534737 617921939 /nfs/dbraw/zinc/92/19/39/617921939.db2.gz VZCGJKCBTZVUPY-AWEZNQCLSA-N 0 1 273.376 2.698 20 30 CFEDMN CC[N@@H+](Cc1cc(Cl)cc([N+](=O)[O-])c1[O-])C[C@H](C)C#N ZINC000091982927 617957653 /nfs/dbraw/zinc/95/76/53/617957653.db2.gz APOKPKYIKZHGFA-SECBINFHSA-N 0 1 297.742 2.935 20 30 CFEDMN CC[N@H+](Cc1cc(Cl)cc([N+](=O)[O-])c1[O-])C[C@H](C)C#N ZINC000091982927 617957655 /nfs/dbraw/zinc/95/76/55/617957655.db2.gz APOKPKYIKZHGFA-SECBINFHSA-N 0 1 297.742 2.935 20 30 CFEDMN C=CC[C@@H]1CCN1CC(=O)N[C@H](C)c1ccccc1 ZINC000934460164 618040301 /nfs/dbraw/zinc/04/03/01/618040301.db2.gz OHBKKGPOQXPWMY-UKRRQHHQSA-N 0 1 258.365 2.514 20 30 CFEDMN C=CC[C@@H]1CCN1CC(=O)NCCC1=CCCCC1 ZINC000934471743 618047061 /nfs/dbraw/zinc/04/70/61/618047061.db2.gz NKHHSIPYOLVOJN-OAHLLOKOSA-N 0 1 262.397 2.644 20 30 CFEDMN C=CC[C@@H]1CCN1[C@H](C)C(=O)NC[C@@H](C)c1ccccc1 ZINC000934472229 618047763 /nfs/dbraw/zinc/04/77/63/618047763.db2.gz PWHWADRRBQSHPZ-BFYDXBDKSA-N 0 1 286.419 2.945 20 30 CFEDMN COc1ccc(N=NCc2nc(C)c(C)s2)nc1 ZINC000901228145 620774249 /nfs/dbraw/zinc/77/42/49/620774249.db2.gz SVRXSYOJPGBCNY-UHFFFAOYSA-N 0 1 262.338 2.610 20 30 CFEDMN N#Cc1ccc(CNCc2cccc3cnccc32)nc1 ZINC000780556533 618106300 /nfs/dbraw/zinc/10/63/00/618106300.db2.gz ZISVPCSLAYRYBO-UHFFFAOYSA-N 0 1 274.327 2.791 20 30 CFEDMN C#Cc1ccc(NC(=O)[C@H]2C[C@H](C)Cc3cn[nH]c32)cc1 ZINC000891312903 618120066 /nfs/dbraw/zinc/12/00/66/618120066.db2.gz CTZXWPHUTPKAQI-ABAIWWIYSA-N 0 1 279.343 2.696 20 30 CFEDMN Cc1nccc(NCCCCC#N)c1Br ZINC000892328559 618137057 /nfs/dbraw/zinc/13/70/57/618137057.db2.gz WAIFOVVYSNADCB-UHFFFAOYSA-N 0 1 268.158 2.680 20 30 CFEDMN Oc1c(Cl)cc(Cl)cc1/C=N\[C@H]1CCOC1 ZINC000255264924 618151913 /nfs/dbraw/zinc/15/19/13/618151913.db2.gz LZGSRAQVXJXVNH-HXNQLNRQSA-N 0 1 260.120 2.907 20 30 CFEDMN COC(=O)[C@@H]1CCN(Cc2ccc(C)c(C#N)c2)[C@H](C)C1 ZINC000933164569 618164768 /nfs/dbraw/zinc/16/47/68/618164768.db2.gz DRUAVPBHIUQTOG-UKRRQHHQSA-N 0 1 286.375 2.640 20 30 CFEDMN C=C1CCC(C(=O)N2[C@H](C)CN(C)[C@H](C)[C@H]2C)CC1 ZINC000892352719 618178082 /nfs/dbraw/zinc/17/80/82/618178082.db2.gz HPIFWZOKDOBAQG-MGPQQGTHSA-N 0 1 264.413 2.672 20 30 CFEDMN C=CCCCN1CCO[C@H]([C@@H](C)NC(=O)OC(C)(C)C)C1 ZINC000158811017 618197564 /nfs/dbraw/zinc/19/75/64/618197564.db2.gz KNVYXCUUQZLNGG-KGLIPLIRSA-N 0 1 298.427 2.567 20 30 CFEDMN C#CCCCCCCNC1(c2ncccn2)CCOCC1 ZINC000933336532 618202654 /nfs/dbraw/zinc/20/26/54/618202654.db2.gz LHBWVBOUBNBDDG-UHFFFAOYSA-N 0 1 287.407 2.656 20 30 CFEDMN CCc1ccccc1OCC(=O)Nc1cc(C#N)ccc1O ZINC000176819976 618205873 /nfs/dbraw/zinc/20/58/73/618205873.db2.gz HRSIVERFJUZGCB-UHFFFAOYSA-N 0 1 296.326 2.844 20 30 CFEDMN COc1cccc(CNCc2ccc(C#N)cc2)c1F ZINC000165808902 618206315 /nfs/dbraw/zinc/20/63/15/618206315.db2.gz LFLPGMOCCCHNLN-UHFFFAOYSA-N 0 1 270.307 2.996 20 30 CFEDMN N#CCc1cccc(C(=O)Nc2cc(C#N)ccc2O)c1 ZINC000176833322 618210321 /nfs/dbraw/zinc/21/03/21/618210321.db2.gz QBPILUZPBVCMLY-UHFFFAOYSA-N 0 1 277.283 2.582 20 30 CFEDMN C#CCN1CCC[C@@H](CNC(=O)c2cc3ccccc3o2)C1 ZINC001023737542 618219705 /nfs/dbraw/zinc/21/97/05/618219705.db2.gz QWWBNTMMACJQSY-AWEZNQCLSA-N 0 1 296.370 2.508 20 30 CFEDMN C#C[C@@H](NCc1cc(Cl)cs1)[C@@H]1CCCO1 ZINC000309647959 618227131 /nfs/dbraw/zinc/22/71/31/618227131.db2.gz RGBDBGAEIHFUQJ-NEPJUHHUSA-N 0 1 255.770 2.672 20 30 CFEDMN Cc1cccn2c(/C=C\C(=O)c3ccc(O)cc3O)cnc12 ZINC000255620797 618233352 /nfs/dbraw/zinc/23/33/52/618233352.db2.gz ZPWTXIYCLMHKEO-DAXSKMNVSA-N 0 1 294.310 2.950 20 30 CFEDMN FC1(F)CCC(NN=C2C[C@H]3CCC[N@H+](C2)C3)CC1 ZINC000901342522 620789858 /nfs/dbraw/zinc/78/98/58/620789858.db2.gz JPABPBMRNUZMOF-LLVKDONJSA-N 0 1 271.355 2.626 20 30 CFEDMN FC1(F)CCC(NN=C2C[C@H]3CCCN(C2)C3)CC1 ZINC000901342522 620789861 /nfs/dbraw/zinc/78/98/61/620789861.db2.gz JPABPBMRNUZMOF-LLVKDONJSA-N 0 1 271.355 2.626 20 30 CFEDMN C[C@H]1CCSCCN1Cc1csc(C#N)c1 ZINC000893998322 618263531 /nfs/dbraw/zinc/26/35/31/618263531.db2.gz DAKFQPOFNLCLMX-JTQLQIEISA-N 0 1 252.408 2.947 20 30 CFEDMN CC1(C)CCC[C@H](C(=O)C(C#N)C(=O)Nc2ccccn2)C1 ZINC000179386372 618269022 /nfs/dbraw/zinc/26/90/22/618269022.db2.gz BBRSFQGUUOSNIO-STQMWFEESA-N 0 1 299.374 2.945 20 30 CFEDMN CC1(C)CCC[C@H](C(=O)C(C#N)C(=O)NC2CCCC2)C1 ZINC000179384838 618269191 /nfs/dbraw/zinc/26/91/91/618269191.db2.gz RTWCCFQCVCWRLG-GXTWGEPZSA-N 0 1 290.407 2.970 20 30 CFEDMN N#Cc1ccccc1/C=C\C(=O)c1ccc(O)cc1O ZINC000255741388 618274589 /nfs/dbraw/zinc/27/45/89/618274589.db2.gz PIBOYFFTMGLTDY-YVMONPNESA-N 0 1 265.268 2.866 20 30 CFEDMN C#C[C@H]1CC[C@H](Nc2nc(Cl)nc3[nH]cnc32)CC1 ZINC000895092641 618285078 /nfs/dbraw/zinc/28/50/78/618285078.db2.gz VIQFPFPLPHSMEW-KYZUINATSA-N 0 1 275.743 2.610 20 30 CFEDMN CN1CCN(c2nc(C#N)c(Cl)s2)C[C@@H]1C(C)(C)C ZINC000895102527 618295089 /nfs/dbraw/zinc/29/50/89/618295089.db2.gz WYYJMMBUIZLBRU-SNVBAGLBSA-N 0 1 298.843 2.835 20 30 CFEDMN CC(C)(C)[C@H]1CCN(Cc2csc(C#N)c2)C[C@H]1O ZINC000893311447 618303825 /nfs/dbraw/zinc/30/38/25/618303825.db2.gz WZYZNENQPBSDEW-UONOGXRCSA-N 0 1 278.421 2.849 20 30 CFEDMN C=CCN1CCCC[C@@H]1CNC(=O)c1ccc(F)c(F)c1 ZINC001024480389 618329801 /nfs/dbraw/zinc/32/98/01/618329801.db2.gz ISDZCONKOKNQOT-CYBMUJFWSA-N 0 1 294.345 2.735 20 30 CFEDMN N#Cc1ccc([C@@H](O)CN2CCc3sccc3C2)cc1 ZINC000034673979 618330359 /nfs/dbraw/zinc/33/03/59/618330359.db2.gz YZTXVDLWDKDDIV-HNNXBMFYSA-N 0 1 284.384 2.711 20 30 CFEDMN Cc1cc(C(C#N)C(=O)C[C@@H]2C[C@H]2C2CC2)nc(C)n1 ZINC000892474462 618335935 /nfs/dbraw/zinc/33/59/35/618335935.db2.gz CWOFJEGVLYNRST-MELADBBJSA-N 0 1 269.348 2.706 20 30 CFEDMN C=CCN1CCCC[C@@H]1CNC(=O)[C@H]1CCCC12CC2 ZINC001024507563 618338828 /nfs/dbraw/zinc/33/88/28/618338828.db2.gz WMWPSCRETVYOMW-HUUCEWRRSA-N 0 1 276.424 2.723 20 30 CFEDMN C=CC[N@H+](CC(=O)[O-])Cc1cccc(C(F)(F)F)c1 ZINC000092467536 618348332 /nfs/dbraw/zinc/34/83/32/618348332.db2.gz BJPKOHYPLPBWOX-UHFFFAOYSA-N 0 1 273.254 2.778 20 30 CFEDMN C#CC[C@@H](N[C@H](C)c1ccnnc1)c1ccccc1 ZINC000925636227 618369087 /nfs/dbraw/zinc/36/90/87/618369087.db2.gz BEPYQLUCNTZCKA-CZUORRHYSA-N 0 1 251.333 2.892 20 30 CFEDMN C#C[C@@H](NCc1ccccc1SC)[C@H]1CCCO1 ZINC000775794079 618377825 /nfs/dbraw/zinc/37/78/25/618377825.db2.gz OJMMVZJUWXMWDH-ZIAGYGMSSA-N 0 1 261.390 2.679 20 30 CFEDMN CC#CC[N@H+]1CCCC[C@@H]1CNC(=O)C1CC2(CCC2)C1 ZINC001024597103 618406854 /nfs/dbraw/zinc/40/68/54/618406854.db2.gz NRTCYILQKBCCHW-MRXNPFEDSA-N 0 1 288.435 2.561 20 30 CFEDMN CC#CCN1CCCC[C@@H]1CNC(=O)C1CC2(CCC2)C1 ZINC001024597103 618406858 /nfs/dbraw/zinc/40/68/58/618406858.db2.gz NRTCYILQKBCCHW-MRXNPFEDSA-N 0 1 288.435 2.561 20 30 CFEDMN S=c1[nH]nc(-c2ccco2)n1N=Cc1ccco1 ZINC000254765405 618408975 /nfs/dbraw/zinc/40/89/75/618408975.db2.gz YCZYBPXAPYBHHG-UHFFFAOYSA-N 0 1 260.278 2.676 20 30 CFEDMN CCCCCCC[C@@H](C)NCc1nc(N(C)C)no1 ZINC000191899137 618418316 /nfs/dbraw/zinc/41/83/16/618418316.db2.gz FGGWFQBPWOVYSH-GFCCVEGCSA-N 0 1 268.405 2.974 20 30 CFEDMN C=CCCONC(=O)C(C)(C)c1cccc(F)c1 ZINC000856032218 618423587 /nfs/dbraw/zinc/42/35/87/618423587.db2.gz KGSXNFJHGVPZJH-UHFFFAOYSA-N 0 1 251.301 2.727 20 30 CFEDMN C=C(C)C[N@H+]1CCCC[C@@H]1CNC(=O)C1CC2(CC2)C1 ZINC001024643826 618430873 /nfs/dbraw/zinc/43/08/73/618430873.db2.gz HVXSIKAWMUQQPR-OAHLLOKOSA-N 0 1 276.424 2.723 20 30 CFEDMN C=CC[N@H+]1CCCC[C@@H]1CNC(=O)[C@H]1CC12CCCC2 ZINC001024744772 618459600 /nfs/dbraw/zinc/45/96/00/618459600.db2.gz FLVHWUCJLXCKRB-HUUCEWRRSA-N 0 1 276.424 2.723 20 30 CFEDMN C=CCN1CCCC[C@@H]1CNC(=O)[C@H]1CC12CCCC2 ZINC001024744772 618459602 /nfs/dbraw/zinc/45/96/02/618459602.db2.gz FLVHWUCJLXCKRB-HUUCEWRRSA-N 0 1 276.424 2.723 20 30 CFEDMN C=CCN1CCCC[C@H]1CNC(=O)c1ccc(C)cc1 ZINC001024774280 618467172 /nfs/dbraw/zinc/46/71/72/618467172.db2.gz PTLMIDAMVZDHLY-INIZCTEOSA-N 0 1 272.392 2.765 20 30 CFEDMN C=CCN1CCCC[C@@H]1CNC(=O)c1c(F)cccc1F ZINC001024777758 618467588 /nfs/dbraw/zinc/46/75/88/618467588.db2.gz NVBXDGHLPJPQFH-GFCCVEGCSA-N 0 1 294.345 2.735 20 30 CFEDMN CC#CCN1CCCC[C@@H]1CNC(=O)c1cc(C)cc(C)c1 ZINC001024778468 618468427 /nfs/dbraw/zinc/46/84/27/618468427.db2.gz ZENQIZZWSXDHOT-GOSISDBHSA-N 0 1 298.430 2.911 20 30 CFEDMN CC(=NNc1ccc(C)cn1)c1ccc2c(c1)OCO2 ZINC000727260118 618475570 /nfs/dbraw/zinc/47/55/70/618475570.db2.gz QKBFTFXZHUSIPL-UHFFFAOYSA-N 0 1 269.304 2.955 20 30 CFEDMN CC(=O)Nc1ccc(O)c(C(C)N=Nc2ccc(C)cn2)c1 ZINC000727259400 618475671 /nfs/dbraw/zinc/47/56/71/618475671.db2.gz FPMYMEYHMWGUQJ-UHFFFAOYSA-N 0 1 298.346 2.890 20 30 CFEDMN COCCOc1cccc(CN=Nc2ccc(C)cn2)c1 ZINC000727260530 618477305 /nfs/dbraw/zinc/47/73/05/618477305.db2.gz ZHDSAVXVWKSMJI-UHFFFAOYSA-N 0 1 285.347 2.861 20 30 CFEDMN COc1cccc(CN=Nc2ccc(C)cn2)c1OC ZINC000727263136 618477986 /nfs/dbraw/zinc/47/79/86/618477986.db2.gz OLMDRGQHBCIHCK-UHFFFAOYSA-N 0 1 271.320 2.853 20 30 CFEDMN Cc1ccc(N=NC2CCOc3ccccc32)nc1 ZINC000727262929 618478377 /nfs/dbraw/zinc/47/83/77/618478377.db2.gz DSAZATPAGDYGIL-UHFFFAOYSA-N 0 1 253.305 2.989 20 30 CFEDMN N#CC[C@@H]1CCCN(Cc2ccc3oc(=O)oc3c2)C1 ZINC000895228830 618484489 /nfs/dbraw/zinc/48/44/89/618484489.db2.gz QZZFXQSKDMLLEJ-NSHDSACASA-N 0 1 272.304 2.512 20 30 CFEDMN N#CC[C@H]1CCC[N@H+](Cc2cc(F)cc(F)c2[O-])C1 ZINC000895227480 618485666 /nfs/dbraw/zinc/48/56/66/618485666.db2.gz BIWBIAIDWGUFEU-SNVBAGLBSA-N 0 1 266.291 2.796 20 30 CFEDMN N#CC[C@@H]1CCCN(Cc2cn3ccnc3s2)C1 ZINC000895314538 618528513 /nfs/dbraw/zinc/52/85/13/618528513.db2.gz WUHXVQFCTFYVLH-NSHDSACASA-N 0 1 260.366 2.521 20 30 CFEDMN N#CC[C@@H]1CCCN(Cc2cccc3[nH]c(=O)oc32)C1 ZINC000895313060 618530134 /nfs/dbraw/zinc/53/01/34/618530134.db2.gz BTPBYPDSJXPGNF-NSHDSACASA-N 0 1 271.320 2.659 20 30 CFEDMN C#CCCN(CCOC)Cc1ccccc1OCC(F)F ZINC000895350538 618545200 /nfs/dbraw/zinc/54/52/00/618545200.db2.gz OIVWSYLUTKJBML-UHFFFAOYSA-N 0 1 297.345 2.802 20 30 CFEDMN C#CC1(O)CCN(Cc2ccc(Cl)cc2C)CC1 ZINC000895384035 618561444 /nfs/dbraw/zinc/56/14/44/618561444.db2.gz GPCPTFRBTPJBHS-UHFFFAOYSA-N 0 1 263.768 2.609 20 30 CFEDMN C[C@H](C#N)OCCN(C)[C@H](C)c1ccccc1F ZINC000310708011 618608141 /nfs/dbraw/zinc/60/81/41/618608141.db2.gz JCPKYEHUBXNARY-VXGBXAGGSA-N 0 1 250.317 2.747 20 30 CFEDMN C=C[C@H](CO)N[C@@H](C)c1csc(C(F)(F)F)c1 ZINC000926728742 618609196 /nfs/dbraw/zinc/60/91/96/618609196.db2.gz WZJROWRPSXQTOA-IONNQARKSA-N 0 1 265.300 2.964 20 30 CFEDMN C#C[C@H](CC)NCc1cc(Br)ccc1OC ZINC000229896079 618647415 /nfs/dbraw/zinc/64/74/15/618647415.db2.gz KHIMKEAEFZAVAZ-GFCCVEGCSA-N 0 1 282.181 2.959 20 30 CFEDMN C#C[C@](C)(CC)NCc1ncccc1C(F)(F)F ZINC000852103196 618761826 /nfs/dbraw/zinc/76/18/26/618761826.db2.gz ACXKWKSLNYPYFF-GFCCVEGCSA-N 0 1 256.271 2.992 20 30 CFEDMN C#CCOc1ccccc1CN[C@@H](C)c1ccncc1 ZINC000020121694 618800121 /nfs/dbraw/zinc/80/01/21/618800121.db2.gz RKONDXZASOQZOO-AWEZNQCLSA-N 0 1 266.344 2.944 20 30 CFEDMN CC1(C)CO[C@H](CC(=O)Nc2nc3ccc(C#N)cc3[nH]2)C1 ZINC000893152061 618847849 /nfs/dbraw/zinc/84/78/49/618847849.db2.gz UQWQNBLGSVLCPQ-LLVKDONJSA-N 0 1 298.346 2.578 20 30 CFEDMN CC(=O)OC[C@@H](C)N[C@H](CCC#N)c1ccccc1 ZINC000893195045 618876362 /nfs/dbraw/zinc/87/63/62/618876362.db2.gz QVFGWTMELZKPIG-IUODEOHRSA-N 0 1 260.337 2.573 20 30 CFEDMN C=C(C)C[N@H+]1CCC[C@H](NC(=O)CC2CCCC2)C1 ZINC001006621923 618914757 /nfs/dbraw/zinc/91/47/57/618914757.db2.gz KDFNYWOIEJOJFX-HNNXBMFYSA-N 0 1 264.413 2.723 20 30 CFEDMN C=CCN1CCC[C@@H](NC(=O)[C@@H](C)C2CCCC2)C1 ZINC001009156256 618981897 /nfs/dbraw/zinc/98/18/97/618981897.db2.gz VXXDKECZWAZHLP-DZGCQCFKSA-N 0 1 264.413 2.579 20 30 CFEDMN Cc1cc(C#N)cc(C)c1CN[C@H](C)c1ccnn1C ZINC000931560806 619047085 /nfs/dbraw/zinc/04/70/85/619047085.db2.gz XLMUQDOTHSTIMR-CYBMUJFWSA-N 0 1 268.364 2.759 20 30 CFEDMN Cc1csc([C@@H](C#N)C(=O)C=CC2CCOCC2)n1 ZINC000112222383 625319590 /nfs/dbraw/zinc/31/95/90/625319590.db2.gz HCGZLDJMPPAFPK-JDGPPOGSSA-N 0 1 276.361 2.611 20 30 CFEDMN Cc1csc(C(C#N)C(=O)C=CC2CCOCC2)n1 ZINC000112222383 625319598 /nfs/dbraw/zinc/31/95/98/625319598.db2.gz HCGZLDJMPPAFPK-JDGPPOGSSA-N 0 1 276.361 2.611 20 30 CFEDMN Cc1csc(C(C#N)=C(O)C=CC2CCOCC2)n1 ZINC000112222383 625319607 /nfs/dbraw/zinc/31/96/07/625319607.db2.gz HCGZLDJMPPAFPK-JDGPPOGSSA-N 0 1 276.361 2.611 20 30 CFEDMN CC[C@@]1(CO)CCCN(Cc2csc(C#N)c2)C1 ZINC000893717172 619200911 /nfs/dbraw/zinc/20/09/11/619200911.db2.gz OGUVYENRNBNJLS-CQSZACIVSA-N 0 1 264.394 2.604 20 30 CFEDMN C=CCCCN(CC)C(=O)N[C@@H]1CCCc2cn[nH]c21 ZINC000893733797 619214661 /nfs/dbraw/zinc/21/46/61/619214661.db2.gz AJAPBWSYERAGIR-CYBMUJFWSA-N 0 1 276.384 2.785 20 30 CFEDMN N#C[C@H](C(=O)NC1CCCCC1)C(=O)[C@H]1CC12CCCC2 ZINC000747481420 619252100 /nfs/dbraw/zinc/25/21/00/619252100.db2.gz ZOMBBXCJBIHNOA-UONOGXRCSA-N 0 1 288.391 2.724 20 30 CFEDMN C=CC[C@H](C)N1CCN(CC(F)(F)F)[C@@H](C)C1 ZINC000878324255 619259044 /nfs/dbraw/zinc/25/90/44/619259044.db2.gz JERHTKZCZFTQKI-QWRGUYRKSA-N 0 1 250.308 2.519 20 30 CFEDMN N#Cc1cc(CN2CCC[C@@H]2[C@H]2CCCO2)cs1 ZINC000894293178 619312301 /nfs/dbraw/zinc/31/23/01/619312301.db2.gz HFCQFHKSLYHAIF-ZIAGYGMSSA-N 0 1 262.378 2.763 20 30 CFEDMN C=CCN(CC(=O)Nc1ncccc1C)C(C)(C)C ZINC000878950052 619313744 /nfs/dbraw/zinc/31/37/44/619313744.db2.gz NZZWTJOHKFXEPA-UHFFFAOYSA-N 0 1 261.369 2.615 20 30 CFEDMN C[N@@H+](C[C@H]1C[C@@H](NC(=O)OC(C)(C)C)C1)CC(C)(C)C#N ZINC000894609079 619427289 /nfs/dbraw/zinc/42/72/89/619427289.db2.gz BSHAYAUBGIFUDE-BETUJISGSA-N 0 1 295.427 2.771 20 30 CFEDMN CN(C[C@H]1C[C@@H](NC(=O)OC(C)(C)C)C1)CC(C)(C)C#N ZINC000894609079 619427291 /nfs/dbraw/zinc/42/72/91/619427291.db2.gz BSHAYAUBGIFUDE-BETUJISGSA-N 0 1 295.427 2.771 20 30 CFEDMN C#C[C@H](NCc1ccc(OC)c(OC)c1F)C(C)C ZINC000894738365 619455453 /nfs/dbraw/zinc/45/54/53/619455453.db2.gz SMUJOKYKYJNREE-LBPRGKRZSA-N 0 1 265.328 2.590 20 30 CFEDMN C#CC[C@@H](NCc1cncn1CC)c1ccccc1 ZINC000841865737 619481416 /nfs/dbraw/zinc/48/14/16/619481416.db2.gz FCCUMHOKJQNYAK-MRXNPFEDSA-N 0 1 253.349 2.757 20 30 CFEDMN N#Cc1cc(CN2CC[C@@H](O)[C@H](C3CCCC3)C2)cs1 ZINC000894867867 619491148 /nfs/dbraw/zinc/49/11/48/619491148.db2.gz UABIWYKCEXBITD-JKSUJKDBSA-N 0 1 290.432 2.993 20 30 CFEDMN C#C[C@@H](N[C@@H]1CCCOC1)c1ccc(Br)cc1 ZINC000894870794 619492588 /nfs/dbraw/zinc/49/25/88/619492588.db2.gz PKRPSVZMNSBLQD-ZIAGYGMSSA-N 0 1 294.192 2.892 20 30 CFEDMN CCOc1cccc(CN2C[C@@H](C)N(CC#N)[C@@H](C)C2)c1 ZINC000895489272 619540423 /nfs/dbraw/zinc/54/04/23/619540423.db2.gz ACEDHKOGFXONRD-GASCZTMLSA-N 0 1 287.407 2.503 20 30 CFEDMN C#CC1(O)CCN(Cc2cc(C(C)(C)C)oc2C)CC1 ZINC000895537351 619550126 /nfs/dbraw/zinc/55/01/26/619550126.db2.gz APUZRAHDJUHXEF-UHFFFAOYSA-N 0 1 275.392 2.846 20 30 CFEDMN C#CC[C@@H]1CC[N@H+](Cc2[nH]cc(C(=O)OC)c2C2CC2)C1 ZINC000895562476 619556040 /nfs/dbraw/zinc/55/60/40/619556040.db2.gz HRMLXMLVQFOZCE-GFCCVEGCSA-N 0 1 286.375 2.524 20 30 CFEDMN C=C[C@@H](CC)CC(=O)O[C@@H](C)c1n[nH]c(CC)n1 ZINC000909526187 619572104 /nfs/dbraw/zinc/57/21/04/619572104.db2.gz VXXQODKDBVJWFV-UWVGGRQHSA-N 0 1 251.330 2.574 20 30 CFEDMN C#CCC1(O)CCN(Cc2cnc(C3CCC3)s2)CC1 ZINC000895669594 619582553 /nfs/dbraw/zinc/58/25/53/619582553.db2.gz GXKKPJHLQIPWOR-UHFFFAOYSA-N 0 1 290.432 2.761 20 30 CFEDMN C#CCN1CCC(Nc2cccc(Cl)c2C#N)CC1 ZINC000895803750 619611649 /nfs/dbraw/zinc/61/16/49/619611649.db2.gz KDAPPAPBDYWZCP-UHFFFAOYSA-N 0 1 273.767 2.721 20 30 CFEDMN C=CCC1(O)CCN(Cc2ccc(C(F)F)nc2)CC1 ZINC000895827239 619612894 /nfs/dbraw/zinc/61/28/94/619612894.db2.gz LXPNNXRNOUMFEV-UHFFFAOYSA-N 0 1 282.334 2.922 20 30 CFEDMN C=CCC1(O)CC[NH+](Cc2c([O-])cccc2Cl)CC1 ZINC000895836100 619620111 /nfs/dbraw/zinc/62/01/11/619620111.db2.gz WKBDUSROASIVRD-UHFFFAOYSA-N 0 1 281.783 2.949 20 30 CFEDMN C=CCC1(O)CCN(Cc2nn(CC)c3ccccc23)CC1 ZINC000895835265 619620392 /nfs/dbraw/zinc/62/03/92/619620392.db2.gz CHGLOAFAUQLPQO-UHFFFAOYSA-N 0 1 299.418 2.959 20 30 CFEDMN N#Cc1ccc2c(c1)C[C@@H](NCc1nnc(C3CC3)s1)C2 ZINC000895861427 619620542 /nfs/dbraw/zinc/62/05/42/619620542.db2.gz PIEQAUMHLCMXQL-AWEZNQCLSA-N 0 1 296.399 2.544 20 30 CFEDMN CO[C@@H]1CC[C@@H](C)N(Cc2csc(C#N)c2)C1 ZINC000896076470 619666894 /nfs/dbraw/zinc/66/68/94/619666894.db2.gz QQJQVULWJNJWOD-ZYHUDNBSSA-N 0 1 250.367 2.619 20 30 CFEDMN N#C[C@@H]1CCCN(Cc2c(O)ccc(Cl)c2F)C1 ZINC000896503785 619751558 /nfs/dbraw/zinc/75/15/58/619751558.db2.gz NNXKQFZIVISBPC-VIFPVBQESA-N 0 1 268.719 2.920 20 30 CFEDMN C=C[C@H](CC)CC(=O)Nc1nc(-c2ccc(C)o2)n[nH]1 ZINC000896696419 619793282 /nfs/dbraw/zinc/79/32/82/619793282.db2.gz IXEGSCVOJRLETB-SNVBAGLBSA-N 0 1 274.324 2.914 20 30 CFEDMN COc1ncc(CNCc2ccc(C)c(C#N)c2)s1 ZINC000896880915 619856615 /nfs/dbraw/zinc/85/66/15/619856615.db2.gz VGFOLZBNDCEOFM-UHFFFAOYSA-N 0 1 273.361 2.622 20 30 CFEDMN N#C[C@@H]1CC[C@H](NCC(=O)N2CCCCc3ccccc32)C1 ZINC000896926197 619893031 /nfs/dbraw/zinc/89/30/31/619893031.db2.gz UQPWXNATARSDRW-ZBFHGGJFSA-N 0 1 297.402 2.638 20 30 CFEDMN CC#CC[N@H+](C)Cc1cc(OC)c(OCC)c(OC)c1 ZINC000897165967 619942415 /nfs/dbraw/zinc/94/24/15/619942415.db2.gz FZDOSBNEZOJIIV-UHFFFAOYSA-N 0 1 277.364 2.558 20 30 CFEDMN CC#CCN(C)Cc1cc(OC)c(OCC)c(OC)c1 ZINC000897165967 619942417 /nfs/dbraw/zinc/94/24/17/619942417.db2.gz FZDOSBNEZOJIIV-UHFFFAOYSA-N 0 1 277.364 2.558 20 30 CFEDMN Cc1ccc(NCCNCc2cccc(F)c2C#N)nc1 ZINC000897178375 619945282 /nfs/dbraw/zinc/94/52/82/619945282.db2.gz BLSHBIGLEOQNSU-UHFFFAOYSA-N 0 1 284.338 2.603 20 30 CFEDMN CC1(C)CC[N@@H+](CCNc2cc(C#N)sc2[N+](=O)[O-])C1 ZINC000897248164 619958756 /nfs/dbraw/zinc/95/87/56/619958756.db2.gz LCMDFJJWVQOSEN-UHFFFAOYSA-N 0 1 294.380 2.672 20 30 CFEDMN CC1(C)CCN(CCNc2cc(C#N)sc2[N+](=O)[O-])C1 ZINC000897248164 619958758 /nfs/dbraw/zinc/95/87/58/619958758.db2.gz LCMDFJJWVQOSEN-UHFFFAOYSA-N 0 1 294.380 2.672 20 30 CFEDMN COc1ccc(CNCc2cccc(C#N)n2)c(C)c1OC ZINC000897245673 619959141 /nfs/dbraw/zinc/95/91/41/619959141.db2.gz GINJLNIWNALNQF-UHFFFAOYSA-N 0 1 297.358 2.569 20 30 CFEDMN C=CCCC[C@@H](C)NC(=O)[C@H]1CCN1C(C)(C)C ZINC000897315495 619983213 /nfs/dbraw/zinc/98/32/13/619983213.db2.gz KMHDNMWGLCNUGI-CHWSQXEVSA-N 0 1 252.402 2.720 20 30 CFEDMN C=CC1CCN(C[C@H](O)c2cc(F)ccc2F)CC1 ZINC000304012022 619983529 /nfs/dbraw/zinc/98/35/29/619983529.db2.gz VIDNGURVGPQLAR-HNNXBMFYSA-N 0 1 267.319 2.896 20 30 CFEDMN C=C(Cl)CN(C)C1CCN(C(=O)C[C@@H]2C[C@H]2C)CC1 ZINC000985629771 620014519 /nfs/dbraw/zinc/01/45/19/620014519.db2.gz NPQXHZKRBPLMFW-YPMHNXCESA-N 0 1 284.831 2.708 20 30 CFEDMN C=C(Cl)CN(C)C1CCN(C(=O)[C@H]2CC23CCC3)CC1 ZINC000985684903 620022633 /nfs/dbraw/zinc/02/26/33/620022633.db2.gz JAKBCNGGURLSBQ-CQSZACIVSA-N 0 1 296.842 2.852 20 30 CFEDMN C=C(Cl)CN(C)C1CCN(C(=O)[C@@H](C)C(C)C)CC1 ZINC000985683165 620022804 /nfs/dbraw/zinc/02/28/04/620022804.db2.gz QDFQYVXKHYJABZ-ZDUSSCGKSA-N 0 1 286.847 2.954 20 30 CFEDMN C=C(Cl)CN(C)C1CCN(C(=O)[C@@H]2C[C@@H]2C(C)C)CC1 ZINC000985723439 620026313 /nfs/dbraw/zinc/02/63/13/620026313.db2.gz DQYSEVVLPCQIFN-HUUCEWRRSA-N 0 1 298.858 2.954 20 30 CFEDMN C=C(Cl)CN[C@@H]1CCN(C(=O)c2cccs2)[C@H]1C ZINC000985901145 620050136 /nfs/dbraw/zinc/05/01/36/620050136.db2.gz KFOFIBVCAVYHLB-WDEREUQCSA-N 0 1 284.812 2.693 20 30 CFEDMN C=C(Cl)CN[C@@H]1CCN(C(=O)c2ccoc2C)[C@H]1C ZINC000985935258 620053464 /nfs/dbraw/zinc/05/34/64/620053464.db2.gz OKZRFLXQOCZOAB-GXFFZTMASA-N 0 1 282.771 2.533 20 30 CFEDMN C=C(Cl)CN[C@@H]1CCN(C(=O)CCc2ccco2)[C@H]1C ZINC000985956683 620054460 /nfs/dbraw/zinc/05/44/60/620054460.db2.gz NNLIXHNELRIEMY-GXTWGEPZSA-N 0 1 296.798 2.544 20 30 CFEDMN C=C(Cl)CN[C@@H]1CCN(C(=O)c2cc(C)oc2C)[C@@H]1C ZINC000985958730 620054477 /nfs/dbraw/zinc/05/44/77/620054477.db2.gz SVPQWGSTSOFQEC-BXUZGUMPSA-N 0 1 296.798 2.842 20 30 CFEDMN C=C(Cl)CN[C@@H]1CCN(C(=O)c2cc(C)[nH]c2C)[C@@H]1C ZINC000987074993 620112768 /nfs/dbraw/zinc/11/27/68/620112768.db2.gz HOSRLJZMHAGHGU-TZMCWYRMSA-N 0 1 295.814 2.577 20 30 CFEDMN C#CC[C@H]1CCN(Cc2cc(O)ccc2Br)C1 ZINC000862444621 620114362 /nfs/dbraw/zinc/11/43/62/620114362.db2.gz DIGXOXJKCKMQQI-NSHDSACASA-N 0 1 294.192 3.000 20 30 CFEDMN C=C(Cl)CN[C@@H]1C[C@H](C)N(C(=O)Cc2cccs2)C1 ZINC000987811079 620154733 /nfs/dbraw/zinc/15/47/33/620154733.db2.gz GJPOUIXKFWHKMF-NWDGAFQWSA-N 0 1 298.839 2.622 20 30 CFEDMN CC(C)=CC(=O)N1C[C@H](NCc2ccccc2C#N)C[C@H]1C ZINC000987866839 620157914 /nfs/dbraw/zinc/15/79/14/620157914.db2.gz MBEOLOCFKNAGPX-RHSMWYFYSA-N 0 1 297.402 2.603 20 30 CFEDMN CC1(C)CC[C@@H](CCNCc2nc(C#N)cs2)OC1 ZINC000897476093 620182116 /nfs/dbraw/zinc/18/21/16/620182116.db2.gz JPCIVYXFUPNUIM-LBPRGKRZSA-N 0 1 279.409 2.700 20 30 CFEDMN N#Cc1c(F)cccc1CNCC[C@H]1CCCC[C@H]1O ZINC000897537202 620222647 /nfs/dbraw/zinc/22/26/47/620222647.db2.gz OPWCBJNFWWFOEQ-MLGOLLRUSA-N 0 1 276.355 2.728 20 30 CFEDMN C=CCOCCCNCc1nccc(C)c1Br ZINC000865628088 620255643 /nfs/dbraw/zinc/25/56/43/620255643.db2.gz QAFGZONYRNGYJB-UHFFFAOYSA-N 0 1 299.212 2.835 20 30 CFEDMN C=CCN1CCCN(C(=O)c2cc3sccc3[nH]2)CC1 ZINC000989410999 620260147 /nfs/dbraw/zinc/26/01/47/620260147.db2.gz RLFVYNQIMZCSBQ-UHFFFAOYSA-N 0 1 289.404 2.563 20 30 CFEDMN C=C(Cl)CN[C@@H]1C[C@H](C)N(C(=O)c2occc2CC)C1 ZINC000989413615 620260800 /nfs/dbraw/zinc/26/08/00/620260800.db2.gz KOAPJJLPXCRFPY-WCQYABFASA-N 0 1 296.798 2.787 20 30 CFEDMN CSC(C)(C)CCNCc1nc(C#N)cs1 ZINC000897630475 620263905 /nfs/dbraw/zinc/26/39/05/620263905.db2.gz ZLNFZDQVJYWIFY-UHFFFAOYSA-N 0 1 255.412 2.636 20 30 CFEDMN C=CCOc1ccc(CN2C[C@H](C)[C@H](O)C2)cc1Cl ZINC000897683227 620271327 /nfs/dbraw/zinc/27/13/27/620271327.db2.gz BHQBANYRQJLJIR-SMDDNHRTSA-N 0 1 281.783 2.717 20 30 CFEDMN C=C(Cl)CN[C@@H]1C[C@@H](C)N(C(=O)C2CC3(CC3)C2)C1 ZINC000989438287 620274779 /nfs/dbraw/zinc/27/47/79/620274779.db2.gz KIZAAMYHIYDJBE-DGCLKSJQSA-N 0 1 282.815 2.508 20 30 CFEDMN COC(=O)[C@@H](CNCc1ccc(C#N)o1)CC1CCCC1 ZINC000898344165 620373528 /nfs/dbraw/zinc/37/35/28/620373528.db2.gz CWHILHHXTOWBIY-CYBMUJFWSA-N 0 1 290.363 2.610 20 30 CFEDMN C=C(C)CN1CCCN(C(=O)c2cc(C)c(CC)o2)CC1 ZINC000989469546 620374535 /nfs/dbraw/zinc/37/45/35/620374535.db2.gz NTQGTGPRMGLQGA-UHFFFAOYSA-N 0 1 290.407 2.874 20 30 CFEDMN C=C(Cl)CN[C@H]1C[C@@H](C)N(C(=O)c2cc(C)[nH]c2C)C1 ZINC000989494406 620378199 /nfs/dbraw/zinc/37/81/99/620378199.db2.gz GUYGSHHZFGVEID-YPMHNXCESA-N 0 1 295.814 2.577 20 30 CFEDMN C=CCN1CCCN(C(=O)c2ccc(F)cc2Cl)CC1 ZINC000989599523 620383012 /nfs/dbraw/zinc/38/30/12/620383012.db2.gz QQFIAKGOYUJWER-UHFFFAOYSA-N 0 1 296.773 2.813 20 30 CFEDMN C=CCN1CCCN(C(=O)[C@@H](C)Cc2ccccc2)CC1 ZINC000989714544 620387300 /nfs/dbraw/zinc/38/73/00/620387300.db2.gz NWCAIDSBHJNCSI-INIZCTEOSA-N 0 1 286.419 2.586 20 30 CFEDMN C=CCN1CCCN(C(=O)c2cccc(C3CC3)c2)CC1 ZINC000989754205 620391151 /nfs/dbraw/zinc/39/11/51/620391151.db2.gz CRMCWZWNAADJTC-UHFFFAOYSA-N 0 1 284.403 2.898 20 30 CFEDMN C=CC[N@@H+]1CCCN(C(=O)C[C@@H]2CCCC[C@@H]2C)CC1 ZINC000989775603 620391477 /nfs/dbraw/zinc/39/14/77/620391477.db2.gz ZTDFCODXMZVALX-HOTGVXAUSA-N 0 1 278.440 2.923 20 30 CFEDMN C=CCN1CCCN(C(=O)C[C@@H]2CCCC[C@@H]2C)CC1 ZINC000989775603 620391480 /nfs/dbraw/zinc/39/14/80/620391480.db2.gz ZTDFCODXMZVALX-HOTGVXAUSA-N 0 1 278.440 2.923 20 30 CFEDMN C=CCN1CC[C@@]2(NC(=O)c3ccc(C)s3)CCC[C@@H]12 ZINC000989916295 620401939 /nfs/dbraw/zinc/40/19/39/620401939.db2.gz RZEWZMZYLZVVCR-ZBFHGGJFSA-N 0 1 290.432 2.969 20 30 CFEDMN C#CCOc1ccccc1CNCc1ccc(C)nc1 ZINC000057591261 620403467 /nfs/dbraw/zinc/40/34/67/620403467.db2.gz MTFBOCNMLWDAOL-UHFFFAOYSA-N 0 1 266.344 2.692 20 30 CFEDMN C#CCN1CC[C@]2(NC(=O)C(F)=C3CCCC3)CCC[C@@H]12 ZINC000990226214 620412258 /nfs/dbraw/zinc/41/22/58/620412258.db2.gz ZRWDERWLTRJCGW-RHSMWYFYSA-N 0 1 290.382 2.530 20 30 CFEDMN C=CCN1CC[C@]2(NC(=O)c3sccc3F)CCC[C@H]12 ZINC000990496817 620426877 /nfs/dbraw/zinc/42/68/77/620426877.db2.gz OPVZHXYQNNHLEC-SWLSCSKDSA-N 0 1 294.395 2.800 20 30 CFEDMN Cc1ccc(CN[C@@H](C)c2cncnc2C)cc1C#N ZINC000926959985 620431497 /nfs/dbraw/zinc/43/14/97/620431497.db2.gz CXXWOOQWDIVFHK-LBPRGKRZSA-N 0 1 266.348 2.816 20 30 CFEDMN C=CC(C)(C)NCc1nc2cc([N+](=O)[O-])ccc2o1 ZINC000898460043 620466837 /nfs/dbraw/zinc/46/68/37/620466837.db2.gz BEPUFMJJGRFCNQ-UHFFFAOYSA-N 0 1 261.281 2.790 20 30 CFEDMN CC[C@H](C)N1CCN(C(=O)c2c(C)cc(C#N)cc2C)CC1 ZINC000899155681 620526593 /nfs/dbraw/zinc/52/65/93/620526593.db2.gz GWVJLGILDFWGHH-HNNXBMFYSA-N 0 1 299.418 2.731 20 30 CFEDMN C#CCCc1cc(=O)n(-c2nc(C(F)(F)F)cs2)[nH]1 ZINC000899353187 620548031 /nfs/dbraw/zinc/54/80/31/620548031.db2.gz VMGBFBZRSOMJOC-UHFFFAOYSA-N 0 1 287.266 2.668 20 30 CFEDMN C=CCOc1ccccc1C[N@@H+]1CCC[C@](C)(C(=O)[O-])C1 ZINC000901701410 620898514 /nfs/dbraw/zinc/89/85/14/620898514.db2.gz ZXOXWUFESISOTI-KRWDZBQOSA-N 0 1 289.375 2.938 20 30 CFEDMN C=CCOc1ccccc1C[N@H+](CCC(=O)[O-])C1CC1 ZINC000901971248 620948200 /nfs/dbraw/zinc/94/82/00/620948200.db2.gz GZDIHOLCJQWKRS-UHFFFAOYSA-N 0 1 275.348 2.691 20 30 CFEDMN C#CCCCCCC[N@H+](CCC(=O)[O-])C1CCOCC1 ZINC000901984671 620949399 /nfs/dbraw/zinc/94/93/99/620949399.db2.gz TUFFZXZFINDZTM-UHFFFAOYSA-N 0 1 281.396 2.526 20 30 CFEDMN C=CCOc1ccc(C[N@@H+]2CC[C@@H](C)C[C@H]2C(=O)[O-])cc1 ZINC000902014840 620958779 /nfs/dbraw/zinc/95/87/79/620958779.db2.gz GZEHJCUVVHZMAL-CJNGLKHVSA-N 0 1 289.375 2.937 20 30 CFEDMN C=CC1CCN(CN2CCN(C3CCCC3)C2=O)CC1 ZINC000902127380 620984471 /nfs/dbraw/zinc/98/44/71/620984471.db2.gz QQOCYKJVJIIYCD-UHFFFAOYSA-N 0 1 277.412 2.522 20 30 CFEDMN C=CC[N@H+](Cc1cc(C(=O)[O-])no1)CC1CCCCC1 ZINC000902253923 621006380 /nfs/dbraw/zinc/00/63/80/621006380.db2.gz XPOBFAZJPZDDMB-UHFFFAOYSA-N 0 1 278.352 2.941 20 30 CFEDMN C=CCCC1(C[NH2+]C2CCN(CC(=O)[O-])CC2)CCCC1 ZINC000902424603 621074427 /nfs/dbraw/zinc/07/44/27/621074427.db2.gz WHYSNNIXNASMHN-UHFFFAOYSA-N 0 1 294.439 2.652 20 30 CFEDMN C#CC[C@H]1CCC[N@H+](Cc2ccc(/C=C/C(=O)[O-])o2)C1 ZINC000902441972 621081230 /nfs/dbraw/zinc/08/12/30/621081230.db2.gz DQKAZWNLBXPISF-XEHSLEBBSA-N 0 1 273.332 2.613 20 30 CFEDMN C=CC[C@@H]1CC[N@H+](Cc2ccc(O[C@@H](C)C(=O)[O-])cc2)C1 ZINC000902489759 621113175 /nfs/dbraw/zinc/11/31/75/621113175.db2.gz OJAXIZIKUHVGII-UONOGXRCSA-N 0 1 289.375 2.937 20 30 CFEDMN COc1ccc(CN[C@H](C)c2cc(C#N)ccn2)cc1 ZINC000902721098 621156732 /nfs/dbraw/zinc/15/67/32/621156732.db2.gz RYOOAXXGWDIVNL-GFCCVEGCSA-N 0 1 267.332 2.813 20 30 CFEDMN COc1ccccc1OCCN[C@H](C)c1cc(C#N)ccn1 ZINC000902724725 621158231 /nfs/dbraw/zinc/15/82/31/621158231.db2.gz HGDBQEGEJIBBMH-CYBMUJFWSA-N 0 1 297.358 2.691 20 30 CFEDMN C[C@@H](NCc1ccc(N(C)C)cc1)c1cc(C#N)ccn1 ZINC000902728461 621159963 /nfs/dbraw/zinc/15/99/63/621159963.db2.gz UOXPKIZZFAKWKF-CYBMUJFWSA-N 0 1 280.375 2.870 20 30 CFEDMN C[C@@H](O)c1ccc(CN[C@H](C)c2cc(C#N)ccn2)cc1 ZINC000902763153 621162780 /nfs/dbraw/zinc/16/27/80/621162780.db2.gz UQZVFWVKGZOHGP-CHWSQXEVSA-N 0 1 281.359 2.857 20 30 CFEDMN C[C@H](NCc1ccc2c(c1)COC2)c1cc(C#N)ccn1 ZINC000902881900 621198803 /nfs/dbraw/zinc/19/88/03/621198803.db2.gz MNTQKGHFSNFESK-LBPRGKRZSA-N 0 1 279.343 2.834 20 30 CFEDMN C=CCC[C@H](C)NCc1ncc(Br)cn1 ZINC000903320413 621321347 /nfs/dbraw/zinc/32/13/47/621321347.db2.gz HNCPYGRHQKCZCA-VIFPVBQESA-N 0 1 270.174 2.683 20 30 CFEDMN C[C@H]1CC[C@@H](C(=O)[O-])C[N@H+]1CC1CCC(C#N)CC1 ZINC000903406940 621362761 /nfs/dbraw/zinc/36/27/61/621362761.db2.gz AVEUZRAMDWJPOH-GFJIZPEISA-N 0 1 264.369 2.501 20 30 CFEDMN C[C@@H]1CCC[N@@H+](CC2CCC(C#N)CC2)[C@H]1C(=O)[O-] ZINC000903408029 621363065 /nfs/dbraw/zinc/36/30/65/621363065.db2.gz MURBSXXJMPEHAG-BLYZHGLHSA-N 0 1 264.369 2.501 20 30 CFEDMN C[C@@H]1CC[C@H](C(=O)[O-])[N@H+]1Cc1cc(Cl)cc(C#N)c1 ZINC000903409255 621364698 /nfs/dbraw/zinc/36/46/98/621364698.db2.gz SMAMLDQTBBFQQG-NOZJJQNGSA-N 0 1 278.739 2.649 20 30 CFEDMN C=CC[C@@H]1CC[N@H+](Cc2cc(C(=O)[O-])ccc2OC)C1 ZINC000903607927 621402186 /nfs/dbraw/zinc/40/21/86/621402186.db2.gz VVLOINQHNXGOPQ-GFCCVEGCSA-N 0 1 275.348 2.791 20 30 CFEDMN C=CC[N@H+](CC(=O)[O-])C[C@H]1CCC[C@H](c2ccccc2)O1 ZINC000903595237 621403916 /nfs/dbraw/zinc/40/39/16/621403916.db2.gz CSSGMQHPUWGHBE-HZPDHXFCSA-N 0 1 289.375 2.869 20 30 CFEDMN N#CC1(CCCC[N@@H+]2CCC[C@@H](C(=O)[O-])C2)CCC1 ZINC000903697280 621420159 /nfs/dbraw/zinc/42/01/59/621420159.db2.gz IPVQVVORPLIUQP-CYBMUJFWSA-N 0 1 264.369 2.647 20 30 CFEDMN C#CC[C@H]1CCC[N@H+]([C@@H](CCc2ccccc2)C(=O)[O-])C1 ZINC000903906317 621469542 /nfs/dbraw/zinc/46/95/42/621469542.db2.gz HJMMAXSIDSFAOW-IRXDYDNUSA-N 0 1 285.387 2.808 20 30 CFEDMN C=CC(C)(C)CCCNC(=O)[C@@H]1CCc2[nH]cnc2C1 ZINC000832714646 625493153 /nfs/dbraw/zinc/49/31/53/625493153.db2.gz LXPZYXIPSNPMCC-GFCCVEGCSA-N 0 1 275.396 2.623 20 30 CFEDMN CC[C@H](/N=C\c1ccc(N(CC)CC)cc1O)C(=O)OC ZINC000905002289 621680232 /nfs/dbraw/zinc/68/02/32/621680232.db2.gz GGHMJYUKKNAUDJ-FMNVXAMXSA-N 0 1 292.379 2.609 20 30 CFEDMN CC(C)N1CCN(c2nc3ccccc3cc2C#N)CC1 ZINC000071389817 625512018 /nfs/dbraw/zinc/51/20/18/625512018.db2.gz RLRAZWNQDKZCSW-UHFFFAOYSA-N 0 1 280.375 2.637 20 30 CFEDMN Cc1nn(C)cc1/C=C\C(=O)c1cccc(CN(C)C)c1 ZINC000905078872 621690205 /nfs/dbraw/zinc/69/02/05/621690205.db2.gz YBEVKZCMXPVREQ-HJWRWDBZSA-N 0 1 283.375 2.686 20 30 CFEDMN CN(C)Cc1cccc(C(=O)/C=C/c2cc3n(n2)CCC3)c1 ZINC000905078094 621690490 /nfs/dbraw/zinc/69/04/90/621690490.db2.gz KUEZWRGAAJEROY-CMDGGOBGSA-N 0 1 295.386 2.787 20 30 CFEDMN C=CC1(CC(=O)Nc2[nH]cnc2C(=O)OC)CCCCC1 ZINC000905221148 621725388 /nfs/dbraw/zinc/72/53/88/621725388.db2.gz XILNLXDAIGHKBM-UHFFFAOYSA-N 0 1 291.351 2.661 20 30 CFEDMN Cc1cc(C#N)cc(C)c1Cc1nc([C@H]2CCCN2)no1 ZINC000905304146 621746051 /nfs/dbraw/zinc/74/60/51/621746051.db2.gz HKDVJODEHYGWHW-CQSZACIVSA-N 0 1 282.347 2.573 20 30 CFEDMN N#C[C@@]1(c2nc(C3(N)CCCC3)no2)CC2CCC1CC2 ZINC000905305552 621746548 /nfs/dbraw/zinc/74/65/48/621746548.db2.gz OBGBTXGOPOMTRC-QOZQQMKHSA-N 0 1 286.379 2.769 20 30 CFEDMN CC(C)(C#N)C[C@@H](O)CNCc1nsc2ccccc12 ZINC000905457272 621777120 /nfs/dbraw/zinc/77/71/20/621777120.db2.gz ACEONLVUXGNENL-LLVKDONJSA-N 0 1 289.404 2.687 20 30 CFEDMN COc1cccc(NN=Cc2cn(C)nc2C2CCCC2)n1 ZINC000905460469 621777665 /nfs/dbraw/zinc/77/76/65/621777665.db2.gz MTJSKDKSKWYEHN-UHFFFAOYSA-N 0 1 299.378 2.927 20 30 CFEDMN CC(N=Nc1cnnn1C)c1ccc(C(F)(F)F)s1 ZINC000905472678 621781970 /nfs/dbraw/zinc/78/19/70/621781970.db2.gz AFCNVVUMRYMITR-UHFFFAOYSA-N 0 1 289.286 2.732 20 30 CFEDMN C[C@H](c1cccc(C#N)c1)n1cc(CN(C)C(C)(C)C)nn1 ZINC000905807713 621869098 /nfs/dbraw/zinc/86/90/98/621869098.db2.gz MXMCHWZEVOSEKW-CYBMUJFWSA-N 0 1 297.406 2.989 20 30 CFEDMN C=C[C@H](CC)CC(=O)N1[C@H](C)CN(C)[C@@H](C)[C@H]1C ZINC000905982336 621913714 /nfs/dbraw/zinc/91/37/14/621913714.db2.gz ABQNUDFJHOKLHQ-XJFOESAGSA-N 0 1 252.402 2.528 20 30 CFEDMN COc1ccc(-c2cnc([C@H]3CCCCN3)nc2)c(C#N)c1 ZINC000906177114 621945076 /nfs/dbraw/zinc/94/50/76/621945076.db2.gz PBZARIGZWAIDKA-MRXNPFEDSA-N 0 1 294.358 2.838 20 30 CFEDMN C#Cc1cccc(N(CC)C(=O)c2[nH]cnc2CC)c1 ZINC000906556273 621999438 /nfs/dbraw/zinc/99/94/38/621999438.db2.gz ODRABTVHKHIJPA-UHFFFAOYSA-N 0 1 267.332 2.620 20 30 CFEDMN C=CCCC[C@@H](C)NC(=O)c1cccc2nc(CO)[nH]c21 ZINC000907232628 622101798 /nfs/dbraw/zinc/10/17/98/622101798.db2.gz ZIIOEOVSCVYJEK-LLVKDONJSA-N 0 1 287.363 2.530 20 30 CFEDMN C=CCCC[C@H](C)NC(=O)c1cccc2nc(CO)[nH]c21 ZINC000907232629 622101896 /nfs/dbraw/zinc/10/18/96/622101896.db2.gz ZIIOEOVSCVYJEK-NSHDSACASA-N 0 1 287.363 2.530 20 30 CFEDMN C=CCCC(=O)[C@H]1CCCN1C(=O)[C@H](CC)N(CC)CC ZINC000908647473 622254280 /nfs/dbraw/zinc/25/42/80/622254280.db2.gz DBJWZLDIIMSIQC-LSDHHAIUSA-N 0 1 294.439 2.633 20 30 CFEDMN CCC[C@@H](C)CC(=O)[C@@H](C#N)C(=O)NC1CCCC1 ZINC000155491072 622270846 /nfs/dbraw/zinc/27/08/46/622270846.db2.gz MNPXKCLYISBIHY-DGCLKSJQSA-N 0 1 264.369 2.580 20 30 CFEDMN C#CCN(CC(=O)NCCCc1ccccc1)C1CCCC1 ZINC000155757815 622437235 /nfs/dbraw/zinc/43/72/35/622437235.db2.gz WQCFNQGAQWHAOC-UHFFFAOYSA-N 0 1 298.430 2.613 20 30 CFEDMN C[C@H]1CC(N=Nc2cc(Cl)nc(Cl)c2)CN1C ZINC000819828596 622565481 /nfs/dbraw/zinc/56/54/81/622565481.db2.gz JMZPORDEFNRTSG-ZETCQYMHSA-N 0 1 273.167 2.880 20 30 CFEDMN C[C@@H]1CCCC[C@@H]1C(=O)[C@@H](C#N)C(=O)NC1CCCCC1 ZINC000819945543 622579746 /nfs/dbraw/zinc/57/97/46/622579746.db2.gz UZBSWFXWYRHIAW-VHDGCEQUSA-N 0 1 290.407 2.970 20 30 CFEDMN Oc1ccc(CN=Nc2nc3cc(F)c(F)cc3[nH]2)cc1 ZINC000912817703 622782907 /nfs/dbraw/zinc/78/29/07/622782907.db2.gz FHBYGCSDNGFUGG-UHFFFAOYSA-N 0 1 288.257 2.993 20 30 CFEDMN CCCCCCCCCNC(=O)Cc1n[nH]c(C)n1 ZINC000820924721 622791746 /nfs/dbraw/zinc/79/17/46/622791746.db2.gz LBQQSFMUDHLMCT-UHFFFAOYSA-N 0 1 266.389 2.522 20 30 CFEDMN CCCCCCCCOCC(=O)N1CC[C@H](N2CCC2)C1 ZINC000912915136 622794518 /nfs/dbraw/zinc/79/45/18/622794518.db2.gz CSBBUVQMOAWADK-INIZCTEOSA-N 0 1 296.455 2.670 20 30 CFEDMN C=CC[C@@H]1CCN(C(=O)[C@@H]2C[C@@H](C)Cc3c[nH]nc32)C1 ZINC000912982589 622812343 /nfs/dbraw/zinc/81/23/43/622812343.db2.gz LZVFPDFGRCWOMP-OUCADQQQSA-N 0 1 273.380 2.500 20 30 CFEDMN Cc1nc([C@@H](C)OC(=O)c2ccc(C3(C#N)CC3)cc2)n[nH]1 ZINC000840416948 622862655 /nfs/dbraw/zinc/86/26/55/622862655.db2.gz GKAIHIWNBASJEQ-SNVBAGLBSA-N 0 1 296.330 2.586 20 30 CFEDMN CN(C)CC#CCNC(=O)CCCCCc1cccs1 ZINC000913518026 622910674 /nfs/dbraw/zinc/91/06/74/622910674.db2.gz ALDJWJUZTOHZRV-UHFFFAOYSA-N 0 1 292.448 2.532 20 30 CFEDMN CC(C)c1ccc([C@H]2C[C@H]2C(=O)NCC#CCN(C)C)cc1 ZINC000913519073 622910892 /nfs/dbraw/zinc/91/08/92/622910892.db2.gz MJHCMMGROUIYNM-QZTJIDSGSA-N 0 1 298.430 2.595 20 30 CFEDMN COC(=O)c1occc1/C=C/C(=O)c1ccc(C)cc1O ZINC000156707322 622956606 /nfs/dbraw/zinc/95/66/06/622956606.db2.gz FKYICELPMSYEJR-GQCTYLIASA-N 0 1 286.283 2.976 20 30 CFEDMN C=C[C@H](CC)CC(=O)N1CCN(CC)C[C@@H]1CC ZINC000821782007 622974764 /nfs/dbraw/zinc/97/47/64/622974764.db2.gz RQJWYDHFYOKWQF-KGLIPLIRSA-N 0 1 252.402 2.531 20 30 CFEDMN C=C[C@@H](CC)CC(=O)N1CCN([C@H](C)CC)CC1 ZINC000821848483 622993290 /nfs/dbraw/zinc/99/32/90/622993290.db2.gz STKQSHUCOVHDOG-KGLIPLIRSA-N 0 1 252.402 2.531 20 30 CFEDMN C=C[C@@H](C)[NH2+]Cc1cc(Br)ccc1[O-] ZINC000165867305 622997716 /nfs/dbraw/zinc/99/77/16/622997716.db2.gz MCLOSZIMGKOLMT-MRVPVSSYSA-N 0 1 256.143 2.819 20 30 CFEDMN C=C[C@H](CC)CC(=O)NC[C@@H](c1nc[nH]n1)c1ccccc1 ZINC000821887492 623002472 /nfs/dbraw/zinc/00/24/72/623002472.db2.gz WDKJGVBMEBGLCI-UKRRQHHQSA-N 0 1 298.390 2.655 20 30 CFEDMN C#CCOc1ccccc1CNCc1cccc(O)c1 ZINC000171134283 623207559 /nfs/dbraw/zinc/20/75/59/623207559.db2.gz JRRDVZXNZBUKHX-UHFFFAOYSA-N 0 1 267.328 2.694 20 30 CFEDMN CCS[C@@H](C(=O)C(C#N)C(=O)NC1CCCC1)C(C)C ZINC000171367069 623219200 /nfs/dbraw/zinc/21/92/00/623219200.db2.gz XKABEZPWJDUHST-GXTWGEPZSA-N 0 1 296.436 2.532 20 30 CFEDMN C[C@@H]1C[C@H](CC(=O)[C@@H](C#N)C(=O)NC2CC2)CC(C)(C)C1 ZINC000171365928 623219244 /nfs/dbraw/zinc/21/92/44/623219244.db2.gz HIGUAUVSAPRQOF-YRGRVCCFSA-N 0 1 290.407 2.826 20 30 CFEDMN C[C@H](C#N)Oc1ccc(CNCc2ccoc2)cc1 ZINC000171563250 623229923 /nfs/dbraw/zinc/22/99/23/623229923.db2.gz VSMFMVWPCKIZGB-GFCCVEGCSA-N 0 1 256.305 2.860 20 30 CFEDMN Cc1cccc(NC(=O)C(C#N)C(=O)[C@H](C)C(C)C)c1 ZINC000172020674 623253685 /nfs/dbraw/zinc/25/36/85/623253685.db2.gz BKPVEHUBAVSZEP-TZMCWYRMSA-N 0 1 272.348 2.935 20 30 CFEDMN C[C@@H](c1cccc(C#N)c1)[N@@H+](C)C[C@@H](O)c1ccc(F)cn1 ZINC000823618196 623363135 /nfs/dbraw/zinc/36/31/35/623363135.db2.gz PKPNTEHNZNMGBY-YVEFUNNKSA-N 0 1 299.349 2.819 20 30 CFEDMN CCCCC[C@@H](C)CC(=O)C(C#N)C(=O)N1CCCC1 ZINC000173935079 623374310 /nfs/dbraw/zinc/37/43/10/623374310.db2.gz GFQIVISBXJVXKQ-ZIAGYGMSSA-N 0 1 278.396 2.924 20 30 CFEDMN CC(C)CN(CCC#N)C[C@@H](O)CC1CCCC1 ZINC000232135529 623390401 /nfs/dbraw/zinc/39/04/01/623390401.db2.gz UUMMHYVKQJCGHL-HNNXBMFYSA-N 0 1 252.402 2.799 20 30 CFEDMN C=C[C@H](CC)CC(=O)N1C[C@@H](C)N(CC)[C@@H](C)C1 ZINC000824214253 623470062 /nfs/dbraw/zinc/47/00/62/623470062.db2.gz HESAXJRUHGAOLB-HZSPNIEDSA-N 0 1 252.402 2.530 20 30 CFEDMN CCC(C)(C)N1CCN(C(=O)c2cc(C#N)ccc2C)CC1 ZINC000824291225 623484021 /nfs/dbraw/zinc/48/40/21/623484021.db2.gz CUJFSGGAJNRORW-UHFFFAOYSA-N 0 1 299.418 2.813 20 30 CFEDMN CCCC(=O)N1C[C@@H](NCc2ccccc2C#N)C(C)(C)C1 ZINC000995344119 625648897 /nfs/dbraw/zinc/64/88/97/625648897.db2.gz ZQJXJPDENVHJLL-MRXNPFEDSA-N 0 1 299.418 2.685 20 30 CFEDMN C#CC[N@H+]1CC[C@]2(NC(=O)[C@@H](C)C3CCCC3)CCC[C@H]12 ZINC000992403191 623532358 /nfs/dbraw/zinc/53/23/58/623532358.db2.gz JUKPPVZGFPTTQV-QILLFSRXSA-N 0 1 288.435 2.559 20 30 CFEDMN C=C[C@@H]1OCCC[C@H]1NCc1occc1Br ZINC000824953188 623593870 /nfs/dbraw/zinc/59/38/70/623593870.db2.gz IBVPMHJZXMZRKM-MNOVXSKESA-N 0 1 286.169 2.865 20 30 CFEDMN C=CCN1CC[C@@]2(NC(=O)c3ccc(F)s3)CCC[C@@H]12 ZINC000992525121 623638383 /nfs/dbraw/zinc/63/83/83/623638383.db2.gz VZSBUQYVFGOICN-DOMZBBRYSA-N 0 1 294.395 2.800 20 30 CFEDMN C#Cc1cccc(CNCc2c[nH]nc2C(C)(C)C)c1 ZINC000825227583 623653904 /nfs/dbraw/zinc/65/39/04/623653904.db2.gz UYYPASVSABBDHO-UHFFFAOYSA-N 0 1 267.376 2.978 20 30 CFEDMN CC1(C)CCCC[C@H]1CC(=O)C(C#N)C(=O)N1CCCC1 ZINC000152163361 623657467 /nfs/dbraw/zinc/65/74/67/623657467.db2.gz GOSGIDNKYGZIFO-UONOGXRCSA-N 0 1 290.407 2.924 20 30 CFEDMN C=CCN1CC[C@@H](NC(=O)Cc2cccc(C)c2Cl)C1 ZINC001015241944 623661062 /nfs/dbraw/zinc/66/10/62/623661062.db2.gz BVZVMELMFJIKBK-CQSZACIVSA-N 0 1 292.810 2.567 20 30 CFEDMN CCC(CC)CN(CCC#N)C[C@@H]1CCC2(COC2)O1 ZINC000929778939 623666327 /nfs/dbraw/zinc/66/63/27/623666327.db2.gz JEVRPEJKGHAWHN-HNNXBMFYSA-N 0 1 280.412 2.586 20 30 CFEDMN N#CCCC[NH2+]Cc1ccc(Br)cc1[O-] ZINC000825490401 623701542 /nfs/dbraw/zinc/70/15/42/623701542.db2.gz XFYZTBKIXWOCJG-UHFFFAOYSA-N 0 1 269.142 2.548 20 30 CFEDMN C=CCN1CC[C@@H](NC(=O)[C@H](c2ccccc2)C2CC2)C1 ZINC001015268068 623710321 /nfs/dbraw/zinc/71/03/21/623710321.db2.gz FELTWTMJQDCCMK-IAGOWNOFSA-N 0 1 284.403 2.557 20 30 CFEDMN C=CCN1CC[C@@H](NC(=O)[C@@H](c2ccccc2)C2CC2)C1 ZINC001015268086 623710329 /nfs/dbraw/zinc/71/03/29/623710329.db2.gz FELTWTMJQDCCMK-SJORKVTESA-N 0 1 284.403 2.557 20 30 CFEDMN CCN(C(=O)c1cccc2[nH]c(C(F)F)nc21)[C@@H](C)C#N ZINC000825635689 623728368 /nfs/dbraw/zinc/72/83/68/623728368.db2.gz SJOUYYCUIDSEFV-QMMMGPOBSA-N 0 1 292.289 2.875 20 30 CFEDMN C#CCCN1CCN(c2nccc3cc(F)ccc32)CC1 ZINC000825699250 623742493 /nfs/dbraw/zinc/74/24/93/623742493.db2.gz XKCSAGFECALFIM-UHFFFAOYSA-N 0 1 283.350 2.519 20 30 CFEDMN CCn1nnc(C)c1/C=C/C(=O)c1ccc(C)cc1O ZINC000834430637 625674981 /nfs/dbraw/zinc/67/49/81/625674981.db2.gz UPKHKIXURMVIAR-BQYQJAHWSA-N 0 1 271.320 2.517 20 30 CFEDMN C=CCN1CC[C@@H](NC(=O)c2cc3c(cc(C)cc3C)[nH]2)C1 ZINC001015416024 623798305 /nfs/dbraw/zinc/79/83/05/623798305.db2.gz YYGHFZQQJPQHFE-CQSZACIVSA-N 0 1 297.402 2.775 20 30 CFEDMN C=CCN1CCC[C@@H](NC(=O)c2ccc(C)s2)[C@H]1C ZINC000992984831 623827685 /nfs/dbraw/zinc/82/76/85/623827685.db2.gz STWRUHWHQGNHTD-CHWSQXEVSA-N 0 1 278.421 2.825 20 30 CFEDMN C=CCN1CCC[C@@H](NC(=O)c2ccccc2C)[C@H]1C ZINC000992988868 623833181 /nfs/dbraw/zinc/83/31/81/623833181.db2.gz HYHPPYOCUTYIOK-GDBMZVCRSA-N 0 1 272.392 2.764 20 30 CFEDMN C=C(C)CN1CCC[C@H](NC(=O)c2ccoc2C)[C@@H]1C ZINC000993013355 623842846 /nfs/dbraw/zinc/84/28/46/623842846.db2.gz LYRFGFQAHKGDBQ-WFASDCNBSA-N 0 1 276.380 2.747 20 30 CFEDMN Cc1cc(C)cc(OCCN2CCC(C#N)CC2)c1 ZINC000032110730 623909107 /nfs/dbraw/zinc/90/91/07/623909107.db2.gz KIZKPLXWUWONQE-UHFFFAOYSA-N 0 1 258.365 2.918 20 30 CFEDMN C=CCCNCc1nc2ccccn2c1Br ZINC000826915645 623909451 /nfs/dbraw/zinc/90/94/51/623909451.db2.gz RKBBVTYZASVJNC-UHFFFAOYSA-N 0 1 280.169 2.763 20 30 CFEDMN CC(C)ON=Cc1ccccc1N1CCO[C@@H](C)C1 ZINC000835004434 623929782 /nfs/dbraw/zinc/92/97/82/623929782.db2.gz OCRYTBVHGATLHV-ZDUSSCGKSA-N 0 1 262.353 2.671 20 30 CFEDMN CCCCCCCC(=O)NCCCN1C[C@@H](C)O[C@H](C)C1 ZINC000914833970 623944317 /nfs/dbraw/zinc/94/43/17/623944317.db2.gz RNFMVDYMCCXLPR-HZPDHXFCSA-N 0 1 298.471 2.962 20 30 CFEDMN C=CCN1CCC[C@H](NC(=O)c2oc(C)cc2C)[C@@H]1C ZINC000993145779 623952411 /nfs/dbraw/zinc/95/24/11/623952411.db2.gz JZSKBDSKKXQCLP-KBPBESRZSA-N 0 1 276.380 2.665 20 30 CFEDMN CC(=NNC(=N)N)c1cc2c(ccc3ccccc23)o1 ZINC000915051079 623977326 /nfs/dbraw/zinc/97/73/26/623977326.db2.gz SZMGAQJIKZUSNK-UHFFFAOYSA-N 0 1 266.304 2.793 20 30 CFEDMN CCCCCCCCN1CCN(C(=O)C2CC2)CC1 ZINC000915227297 624000999 /nfs/dbraw/zinc/00/09/99/624000999.db2.gz QQTLFXYPFNOJHI-UHFFFAOYSA-N 0 1 266.429 2.901 20 30 CFEDMN CC(C)c1ccc([C@H](C)CC(=O)N[C@@H]2CNC[C@H]2C#N)cc1 ZINC000834490686 625692752 /nfs/dbraw/zinc/69/27/52/625692752.db2.gz WSANPGZNJLMPDL-KBRIMQKVSA-N 0 1 299.418 2.531 20 30 CFEDMN C#C[C@H](NCc1ccc(OC)cc1Cl)C1CCOCC1 ZINC000827570045 624034892 /nfs/dbraw/zinc/03/48/92/624034892.db2.gz IBGLTZLFLOZOPD-INIZCTEOSA-N 0 1 293.794 2.867 20 30 CFEDMN C[C@@]1(C#N)CCN(Cc2cc(Cl)cc(F)c2O)C1 ZINC000827650521 624052227 /nfs/dbraw/zinc/05/22/27/624052227.db2.gz RAJNHGRLSQJKSR-ZDUSSCGKSA-N 0 1 268.719 2.920 20 30 CFEDMN C=C(C)CN1CCC[C@@H](NC(=O)c2cc(C)sn2)[C@H]1C ZINC000993262489 624059493 /nfs/dbraw/zinc/05/94/93/624059493.db2.gz UITCQZWYEDBIDT-CHWSQXEVSA-N 0 1 293.436 2.610 20 30 CFEDMN C=CCONC(=O)[C@H]1CCc2c1cccc2Cl ZINC000837046108 624080785 /nfs/dbraw/zinc/08/07/85/624080785.db2.gz DHPPCRHSNRSMJH-NSHDSACASA-N 0 1 251.713 2.604 20 30 CFEDMN C=CCN1CCC[C@@H](NC(=O)c2cc(C)cs2)[C@@H]1C ZINC000993314936 624084288 /nfs/dbraw/zinc/08/42/88/624084288.db2.gz PWPJXFBBDVXIFS-QWHCGFSZSA-N 0 1 278.421 2.825 20 30 CFEDMN C=CCN(CC=C)C[C@@H]1CN(C2CCCCC2)C(=O)O1 ZINC000827782376 624091244 /nfs/dbraw/zinc/09/12/44/624091244.db2.gz FTXDYHZZLFKYLK-OAHLLOKOSA-N 0 1 278.396 2.814 20 30 CFEDMN C#CCC[N@H+](CCOC)Cc1cc(Cl)c(C)cc1O ZINC000827826652 624103593 /nfs/dbraw/zinc/10/35/93/624103593.db2.gz JSKMSEVSCMTUDV-UHFFFAOYSA-N 0 1 281.783 2.826 20 30 CFEDMN C#CCC[N@@H+](CCOC)Cc1cc(Cl)c(C)cc1[O-] ZINC000827826652 624103596 /nfs/dbraw/zinc/10/35/96/624103596.db2.gz JSKMSEVSCMTUDV-UHFFFAOYSA-N 0 1 281.783 2.826 20 30 CFEDMN C#CCC[N@H+](CCOC)Cc1cc(Cl)c(C)cc1[O-] ZINC000827826652 624103599 /nfs/dbraw/zinc/10/35/99/624103599.db2.gz JSKMSEVSCMTUDV-UHFFFAOYSA-N 0 1 281.783 2.826 20 30 CFEDMN C=CCN1CCC[C@H](NC(=O)c2ccc(F)c(F)c2)[C@@H]1C ZINC000993445143 624145200 /nfs/dbraw/zinc/14/52/00/624145200.db2.gz JZMBKRFQNDWSFU-NHYWBVRUSA-N 0 1 294.345 2.734 20 30 CFEDMN C=CCN1CCC[C@H](NC(=O)c2ccc(C)c(F)c2)[C@@H]1C ZINC000993576311 624150649 /nfs/dbraw/zinc/15/06/49/624150649.db2.gz UEYIHQASJAGVEU-BBRMVZONSA-N 0 1 290.382 2.903 20 30 CFEDMN C[C@H](C#N)Oc1ccc(CN2CCCc3n[nH]cc3C2)cc1 ZINC000828013695 624153013 /nfs/dbraw/zinc/15/30/13/624153013.db2.gz HQOXGLDDUCWRMH-CYBMUJFWSA-N 0 1 296.374 2.649 20 30 CFEDMN C=CCN1CCC[C@H](NC(=O)C2(C3CC3)CCC2)[C@H]1C ZINC000993655935 624156260 /nfs/dbraw/zinc/15/62/60/624156260.db2.gz IPUSLPFLPMHUJH-HIFRSBDPSA-N 0 1 276.424 2.722 20 30 CFEDMN C=CCN1CCC[C@H](NC(=O)C(C)(C)C2CC2)[C@H]1C ZINC000993691607 624161090 /nfs/dbraw/zinc/16/10/90/624161090.db2.gz HMYPHHPHSRNILD-OCCSQVGLSA-N 0 1 264.413 2.578 20 30 CFEDMN C#CCN1CCC[C@H](NC(=O)c2ccc(CCC)cc2)[C@H]1C ZINC000993729824 624165929 /nfs/dbraw/zinc/16/59/29/624165929.db2.gz QJKURSXOKNPRSF-QAPCUYQASA-N 0 1 298.430 2.855 20 30 CFEDMN C=C1CCC(C(=O)N[C@@H]2CCCN(CC#CC)[C@@H]2C)CC1 ZINC000993774610 624167246 /nfs/dbraw/zinc/16/72/46/624167246.db2.gz NAEAQOJASXDOQB-NVXWUHKLSA-N 0 1 288.435 2.725 20 30 CFEDMN C=Cc1ccc(C(=O)N[C@H]2CCCN(CC#CC)[C@@H]2C)cc1 ZINC000993817515 624169598 /nfs/dbraw/zinc/16/95/98/624169598.db2.gz BVITZCSLJKWQEN-QAPCUYQASA-N 0 1 296.414 2.936 20 30 CFEDMN C=CCN1CCC[C@@H](NC(=O)c2ccc(C)cc2F)[C@@H]1C ZINC000993870366 624174132 /nfs/dbraw/zinc/17/41/32/624174132.db2.gz GACZPQYMAAUPDM-XJKSGUPXSA-N 0 1 290.382 2.903 20 30 CFEDMN C=CCN1CCC[C@@H](NC(=O)c2cnoc2C(C)C)[C@@H]1C ZINC000994134514 624180458 /nfs/dbraw/zinc/18/04/58/624180458.db2.gz PHJKDJMTTOSRPV-GXTWGEPZSA-N 0 1 291.395 2.567 20 30 CFEDMN C=CCN1CCC[C@H](NC(=O)C(C2CC2)C2CC2)[C@H]1C ZINC000994191359 624181242 /nfs/dbraw/zinc/18/12/42/624181242.db2.gz RYROVIYUMDTNSW-DOMZBBRYSA-N 0 1 276.424 2.578 20 30 CFEDMN Cc1cc(NN=Cc2c[nH]nc2-c2cccs2)nc(C)n1 ZINC000915967756 624195850 /nfs/dbraw/zinc/19/58/50/624195850.db2.gz NXWLIYJAIHJBOR-UHFFFAOYSA-N 0 1 298.375 2.991 20 30 CFEDMN Fc1cccc(Cl)c1C=NNCCN1CCCCC1 ZINC000915974406 624198724 /nfs/dbraw/zinc/19/87/24/624198724.db2.gz SRKWFNXXRWKYPU-UHFFFAOYSA-N 0 1 283.778 2.889 20 30 CFEDMN FC(F)Oc1ccccc1C=NNCCN1CCCCC1 ZINC000915973839 624198797 /nfs/dbraw/zinc/19/87/97/624198797.db2.gz NIIAOUYZXIXNQA-UHFFFAOYSA-N 0 1 297.349 2.697 20 30 CFEDMN Cc1cc(C=NNCCN2CCCCC2)c(C)n1C1CC1 ZINC000915973296 624198894 /nfs/dbraw/zinc/19/88/94/624198894.db2.gz FDQNRHJTXZKGIU-UHFFFAOYSA-N 0 1 288.439 2.849 20 30 CFEDMN CCN1C(=O)N=NC1SCc1c(C)cc(C#N)cc1C ZINC000916098637 624221438 /nfs/dbraw/zinc/22/14/38/624221438.db2.gz LRQTWXSKLPEGJI-UHFFFAOYSA-N 0 1 288.376 2.784 20 30 CFEDMN Cc1ccc(C=NNc2ccc(Cl)nn2)cc1[N+](=O)[O-] ZINC000916288227 624235939 /nfs/dbraw/zinc/23/59/39/624235939.db2.gz PNKGAVIAUOAMJG-UHFFFAOYSA-N 0 1 291.698 2.793 20 30 CFEDMN CC(C)c1nc(CNc2nc3ccccc3cc2C#N)n[nH]1 ZINC000828511832 624259296 /nfs/dbraw/zinc/25/92/96/624259296.db2.gz VYFHXWADEXETHQ-UHFFFAOYSA-N 0 1 292.346 2.960 20 30 CFEDMN CC(C)[C@H](NCc1ccncc1C#N)[C@@H](O)c1ccccc1 ZINC000828515919 624260098 /nfs/dbraw/zinc/26/00/98/624260098.db2.gz LSWUBGZRBSBTDP-ROUUACIJSA-N 0 1 295.386 2.801 20 30 CFEDMN C#CCN1CCC[C@@H](NC(=O)c2c(C)cc(C)cc2C)[C@@H]1C ZINC000994360523 624277247 /nfs/dbraw/zinc/27/72/47/624277247.db2.gz AWLSQVYCMWXOJX-DLBZAZTESA-N 0 1 298.430 2.828 20 30 CFEDMN C[C@H](NCC1(C#N)CCC1)c1ccc2c(c1)CCO2 ZINC000828675809 624285870 /nfs/dbraw/zinc/28/58/70/624285870.db2.gz YZFYVENOVAATEY-LBPRGKRZSA-N 0 1 256.349 2.966 20 30 CFEDMN CCCCCCCCCNC(=O)CN1CCCC1 ZINC000916970492 624296422 /nfs/dbraw/zinc/29/64/22/624296422.db2.gz SLBIFAYMZVPZGH-UHFFFAOYSA-N 0 1 254.418 2.949 20 30 CFEDMN C=CCN(CC(=O)NCCCc1ccccc1)C(C)C ZINC000917071548 624307869 /nfs/dbraw/zinc/30/78/69/624307869.db2.gz VMRAQPFDRKKUDT-UHFFFAOYSA-N 0 1 274.408 2.632 20 30 CFEDMN C#CCN1CCC[C@H](NC(=O)c2cccc(C3CC3)c2)[C@@H]1C ZINC000994484415 624312480 /nfs/dbraw/zinc/31/24/80/624312480.db2.gz HVBLXYBQVAXYRU-KSSFIOAISA-N 0 1 296.414 2.780 20 30 CFEDMN C=CCN1C(=O)N=NC1SCC1CCC(C#N)CC1 ZINC000917217782 624324533 /nfs/dbraw/zinc/32/45/33/624324533.db2.gz OSEIKAZRRIZRBW-UHFFFAOYSA-N 0 1 278.381 2.592 20 30 CFEDMN C=C(C)[C@H](NCC[S@@](C)=O)c1ccc(F)c(F)c1 ZINC000828947091 624337727 /nfs/dbraw/zinc/33/77/27/624337727.db2.gz MNDDIBNWSRKGOT-SCLBCKFNSA-N 0 1 273.348 2.550 20 30 CFEDMN C=C(C)[C@@H](NCC[S@](C)=O)c1ccc(F)c(F)c1 ZINC000828947089 624337906 /nfs/dbraw/zinc/33/79/06/624337906.db2.gz MNDDIBNWSRKGOT-ACJLOTCBSA-N 0 1 273.348 2.550 20 30 CFEDMN CC(=NNc1ncnc2nc[nH]c21)c1ccc(Cl)s1 ZINC000917555686 624359621 /nfs/dbraw/zinc/35/96/21/624359621.db2.gz MEDKAIIHQGNZAJ-UHFFFAOYSA-N 0 1 292.755 2.904 20 30 CFEDMN CN(CC#Cc1ccccc1)C[C@@]1(O)CCc2ccccc21 ZINC000829376638 624428792 /nfs/dbraw/zinc/42/87/92/624428792.db2.gz PJFAHIOBLHEIPQ-FQEVSTJZSA-N 0 1 291.394 2.804 20 30 CFEDMN CCCCCCCC[C@@H](C)C(=O)NCc1c[nH]nn1 ZINC000829546620 624453978 /nfs/dbraw/zinc/45/39/78/624453978.db2.gz PTYRIGPJLKUBJS-GFCCVEGCSA-N 0 1 266.389 2.808 20 30 CFEDMN C#CC[C@@H]1CCCN(Cc2nc3cc([N+](=O)[O-])ccc3o2)C1 ZINC000829783714 624536728 /nfs/dbraw/zinc/53/67/28/624536728.db2.gz BAHZKISZCOTGRX-GFCCVEGCSA-N 0 1 299.330 2.971 20 30 CFEDMN C#CC[C@@H]1CCC[N@@H+](Cc2cc(F)cc(C(C)=O)c2[O-])C1 ZINC000829785375 624537174 /nfs/dbraw/zinc/53/71/74/624537174.db2.gz VFLQILLKBBVYGX-CYBMUJFWSA-N 0 1 289.350 2.969 20 30 CFEDMN C#CC[C@@H]1CCC[N@H+](Cc2cc(F)cc(C(C)=O)c2[O-])C1 ZINC000829785375 624537177 /nfs/dbraw/zinc/53/71/77/624537177.db2.gz VFLQILLKBBVYGX-CYBMUJFWSA-N 0 1 289.350 2.969 20 30 CFEDMN C#CC[C@@H]1CCCN(Cc2nc3ccccc3n2C)C1 ZINC000829803787 624544961 /nfs/dbraw/zinc/54/49/61/624544961.db2.gz BKHFMBNPPCEHNO-CQSZACIVSA-N 0 1 267.376 2.809 20 30 CFEDMN C#CC[C@@H]1CCCN([C@@H](C(=O)OC)c2ccccc2C)C1 ZINC000829810663 624551229 /nfs/dbraw/zinc/55/12/29/624551229.db2.gz SSKFLTIKXXAPSI-NVXWUHKLSA-N 0 1 285.387 2.944 20 30 CFEDMN C#CCN1CCC(NC(=O)N[C@@H](C)CCC(C)(C)C)CC1 ZINC000919461733 624575827 /nfs/dbraw/zinc/57/58/27/624575827.db2.gz CLWYUHHRSYJISG-AWEZNQCLSA-N 0 1 293.455 2.598 20 30 CFEDMN Cc1occc1CNCc1ccc(OCC#N)cc1 ZINC000920180206 624693119 /nfs/dbraw/zinc/69/31/19/624693119.db2.gz MTCTZMWYAYDANB-UHFFFAOYSA-N 0 1 256.305 2.780 20 30 CFEDMN C#CC1CCN(CC(=O)N(C)[C@@H](C)c2ccccc2)CC1 ZINC000830301418 624703612 /nfs/dbraw/zinc/70/36/12/624703612.db2.gz MWYOISWPJVUUAV-HNNXBMFYSA-N 0 1 284.403 2.551 20 30 CFEDMN C#CC1CCN(Cc2cn3cc(Cl)ccc3n2)CC1 ZINC000830305133 624704353 /nfs/dbraw/zinc/70/43/53/624704353.db2.gz GZRZHMKRZZGUOY-UHFFFAOYSA-N 0 1 273.767 2.833 20 30 CFEDMN C#CC1CCN([C@H](C)C(=O)N(CC)c2ccccc2)CC1 ZINC000830305711 624704674 /nfs/dbraw/zinc/70/46/74/624704674.db2.gz RSRPVWNSJTZBFD-OAHLLOKOSA-N 0 1 284.403 2.773 20 30 CFEDMN C#CC1CCN(CC(=O)N(Cc2ccccc2)C2CC2)CC1 ZINC000830321427 624707699 /nfs/dbraw/zinc/70/76/99/624707699.db2.gz LCRKSYPUHRVBEE-UHFFFAOYSA-N 0 1 296.414 2.523 20 30 CFEDMN C#CC1CC[NH+](Cc2cc(F)cc(C(C)=O)c2[O-])CC1 ZINC000830330167 624711460 /nfs/dbraw/zinc/71/14/60/624711460.db2.gz RYZMNKGIPMYDEA-UHFFFAOYSA-N 0 1 275.323 2.579 20 30 CFEDMN C#CC1CCN(Cc2cc(F)cc(C(C)=O)c2O)CC1 ZINC000830330167 624711466 /nfs/dbraw/zinc/71/14/66/624711466.db2.gz RYZMNKGIPMYDEA-UHFFFAOYSA-N 0 1 275.323 2.579 20 30 CFEDMN C[C@@H]1CCCC[C@H]1CC(=O)[C@@H](C#N)C(=O)NC1CCCC1 ZINC000920790661 624771878 /nfs/dbraw/zinc/77/18/78/624771878.db2.gz FVVWNOUUWBGTGN-VNHYZAJKSA-N 0 1 290.407 2.970 20 30 CFEDMN C=C(Br)CN1CC2(C[C@@H]1C)CCOCC2 ZINC000830621801 624791988 /nfs/dbraw/zinc/79/19/88/624791988.db2.gz FHCLDMFUQVXWMW-NSHDSACASA-N 0 1 274.202 2.786 20 30 CFEDMN C=CCC[C@H](NC(=O)C1=NC(=O)N(C)C1)c1ccccc1 ZINC000830681812 624813242 /nfs/dbraw/zinc/81/32/42/624813242.db2.gz UVQJZNCOHJVCCB-ZDUSSCGKSA-N 0 1 285.347 2.563 20 30 CFEDMN C#CCN1CCC(NC(=O)N[C@@H](CCC)CCCC)CC1 ZINC000921323484 624846822 /nfs/dbraw/zinc/84/68/22/624846822.db2.gz IRCAFTAYMCWPBH-HNNXBMFYSA-N 0 1 293.455 2.742 20 30 CFEDMN C=C(CN(C)C)C(=O)Nc1cc(C)c(C(C)=O)c(C)c1 ZINC000921488911 624899464 /nfs/dbraw/zinc/89/94/64/624899464.db2.gz MVNOKDDUSYTSHD-UHFFFAOYSA-N 0 1 274.364 2.562 20 30 CFEDMN N#Cc1ccc(Br)c(CNC[C@@H]2CCCO2)c1 ZINC000921476575 624906708 /nfs/dbraw/zinc/90/67/08/624906708.db2.gz HPOGITOCMCFOBZ-LBPRGKRZSA-N 0 1 295.180 2.589 20 30 CFEDMN CCn1cc(C(=O)/C=C/c2cc(F)c(O)c(F)c2)cn1 ZINC000175325493 624947807 /nfs/dbraw/zinc/94/78/07/624947807.db2.gz BOEBORWWUHMEHA-ONEGZZNKSA-N 0 1 278.258 2.783 20 30 CFEDMN CC[C@@H](CC#N)NC[C@H]1CCCN1C(=O)OC(C)(C)C ZINC000233869944 624958998 /nfs/dbraw/zinc/95/89/98/624958998.db2.gz ZPMSDSYHPZMUES-QWHCGFSZSA-N 0 1 281.400 2.668 20 30 CFEDMN C=CCN(CC(=O)OCC)Cc1cnc(-c2ccccc2)[nH]1 ZINC000179670553 624971738 /nfs/dbraw/zinc/97/17/38/624971738.db2.gz FKYJRXLOXJULQB-UHFFFAOYSA-N 0 1 299.374 2.628 20 30 CFEDMN C[C@H]1CC(=NC(=O)c2ccn(C)c2-c2ccccc2)NO1 ZINC000831398710 625010321 /nfs/dbraw/zinc/01/03/21/625010321.db2.gz FJBXQUCXDHACTE-NSHDSACASA-N 0 1 283.331 2.544 20 30 CFEDMN N#CC(C(=O)CSC[C@@H]1CCCCO1)c1ccccn1 ZINC000171364296 625072095 /nfs/dbraw/zinc/07/20/95/625072095.db2.gz STRIWTKEWCDQPO-STQMWFEESA-N 0 1 290.388 2.560 20 30 CFEDMN COC(=O)C1(C#N)CCN([C@@H]2CCCc3ccccc32)CC1 ZINC000831691366 625098458 /nfs/dbraw/zinc/09/84/58/625098458.db2.gz NKQSYROZCOIBAO-MRXNPFEDSA-N 0 1 298.386 2.843 20 30 CFEDMN COC(=O)C1(C#N)CCN([C@H]2CCCc3ccccc32)CC1 ZINC000831691365 625098630 /nfs/dbraw/zinc/09/86/30/625098630.db2.gz NKQSYROZCOIBAO-INIZCTEOSA-N 0 1 298.386 2.843 20 30 CFEDMN Cc1nc2ccccc2c(C)c1C=C(O)NC1=NCCS1 ZINC000069482820 625131263 /nfs/dbraw/zinc/13/12/63/625131263.db2.gz IAYLBJWCTMZPNX-UHFFFAOYSA-N 0 1 299.399 2.613 20 30 CFEDMN N=C(N)NN=Cc1ccc(-c2ccccc2Cl)s1 ZINC000252453121 625198243 /nfs/dbraw/zinc/19/82/43/625198243.db2.gz AVMJSIYIBAFGOR-UHFFFAOYSA-N 0 1 278.768 2.885 20 30 CFEDMN CN(CCC#N)c1ccc(CNCc2ccoc2)cc1 ZINC000069833026 625231668 /nfs/dbraw/zinc/23/16/68/625231668.db2.gz CFGXFJCTWGJXSL-UHFFFAOYSA-N 0 1 269.348 2.919 20 30 CFEDMN C#CCO[C@H](C)c1nc(-c2cc3nc[nH]c3c(C)c2)no1 ZINC000834606477 625734779 /nfs/dbraw/zinc/73/47/79/625734779.db2.gz IOQKGOYMXXCXEN-SNVBAGLBSA-N 0 1 282.303 2.632 20 30 CFEDMN N#CCCN[C@H]1CCc2cc(Br)ccc2C1 ZINC000082491300 625735600 /nfs/dbraw/zinc/73/56/00/625735600.db2.gz GCRTVQZNNXKTLB-ZDUSSCGKSA-N 0 1 279.181 2.810 20 30 CFEDMN CC(C)C#CC(=O)Nc1cccc2c1OCC[C@H]2N(C)C ZINC000834720167 625799407 /nfs/dbraw/zinc/79/94/07/625799407.db2.gz XJUGNVWQYPCHLI-OAHLLOKOSA-N 0 1 286.375 2.670 20 30 CFEDMN C=C(Cl)CN[C@@H]1CN(C(=O)c2cc(C)co2)CC1(C)C ZINC000996172811 625882927 /nfs/dbraw/zinc/88/29/27/625882927.db2.gz ATIMIYORHUZJDO-CYBMUJFWSA-N 0 1 296.798 2.781 20 30 CFEDMN C=C(Cl)CN[C@H]1CN(C(=O)C2(CC)CC2)CC1(C)C ZINC000996236567 625889487 /nfs/dbraw/zinc/88/94/87/625889487.db2.gz GDRROGLHKQGMGC-LBPRGKRZSA-N 0 1 284.831 2.756 20 30 CFEDMN Nc1ccc2c(n1)CCCC2=NNCCCc1ccccc1 ZINC000834955456 625931859 /nfs/dbraw/zinc/93/18/59/625931859.db2.gz CONODDLTQHPFBJ-UHFFFAOYSA-N 0 1 294.402 2.927 20 30 CFEDMN CN(C)c1ccc(/C=C/C=NNCC(F)F)cc1 ZINC000834959470 625933594 /nfs/dbraw/zinc/93/35/94/625933594.db2.gz SBUSYNMNWPIOMT-IZHGCUBQSA-N 0 1 253.296 2.606 20 30 CFEDMN CC(N=Nc1ccccc1OC(F)(F)F)c1cn(C)nn1 ZINC000834973251 625939860 /nfs/dbraw/zinc/93/98/60/625939860.db2.gz UQVBLHQYIAJKIN-UHFFFAOYSA-N 0 1 299.256 2.550 20 30 CFEDMN CC1(CNN=C2CCCc3nc(N)ccc32)CCCC1 ZINC000834981071 625944807 /nfs/dbraw/zinc/94/48/07/625944807.db2.gz IITZWPWKVMMDTH-UHFFFAOYSA-N 0 1 272.396 2.874 20 30 CFEDMN CCn1nccc1C=NNc1cc(C(F)(F)F)ccn1 ZINC000834983778 625945239 /nfs/dbraw/zinc/94/52/39/625945239.db2.gz GSDPKAQKPKKLOB-UHFFFAOYSA-N 0 1 283.257 2.763 20 30 CFEDMN Cc1nn(C)cc1C=NNc1cc(C(F)(F)F)ccn1 ZINC000834984150 625945649 /nfs/dbraw/zinc/94/56/49/625945649.db2.gz PHERQUJDBVFCCJ-UHFFFAOYSA-N 0 1 283.257 2.588 20 30 CFEDMN CCCCn1nc(C)c(C=NNc2ccncn2)c1Cl ZINC000835001002 625950126 /nfs/dbraw/zinc/95/01/26/625950126.db2.gz CREHFUCQTCVBHX-UHFFFAOYSA-N 0 1 292.774 2.881 20 30 CFEDMN CCCCn1nc(C)c(C=NN=c2cc[nH]cn2)c1Cl ZINC000835001002 625950129 /nfs/dbraw/zinc/95/01/29/625950129.db2.gz CREHFUCQTCVBHX-UHFFFAOYSA-N 0 1 292.774 2.881 20 30 CFEDMN O=C([O-])c1ccc(N[NH2+]C=C2CC2(F)F)c(F)c1 ZINC000835008076 625955174 /nfs/dbraw/zinc/95/51/74/625955174.db2.gz DZQBECNFPJNBFW-ZETCQYMHSA-N 0 1 258.199 2.577 20 30 CFEDMN CC[N@H+]1CCC(N=Nc2ccc(C(=O)[O-])c(F)c2)[C@@H](C)C1 ZINC000835009659 625957240 /nfs/dbraw/zinc/95/72/40/625957240.db2.gz AKJFDFWPTHTZJP-JTQLQIEISA-N 0 1 293.342 2.654 20 30 CFEDMN Fc1cccc2c1CC[C@H]2NN=C1CCN2CCC[C@@H]12 ZINC000835019272 625965169 /nfs/dbraw/zinc/96/51/69/625965169.db2.gz ATEXQVIWDKFMMZ-ZBFHGGJFSA-N 0 1 273.355 2.627 20 30 CFEDMN Cn1ncc2c1CCC[C@H]2NCc1csc(C#N)c1 ZINC000921526027 625973744 /nfs/dbraw/zinc/97/37/44/625973744.db2.gz CHLOBNPXMQDLHY-CYBMUJFWSA-N 0 1 272.377 2.520 20 30 CFEDMN N#Cc1ccc(CNCc2cnn(CC3CCC3)c2)cc1 ZINC000921545644 625981724 /nfs/dbraw/zinc/98/17/24/625981724.db2.gz XYRBGTNHTAZXDT-UHFFFAOYSA-N 0 1 280.375 2.845 20 30 CFEDMN N#C[C@H](NC(=O)c1cc2[nH]cnc2cc1F)C1CCCC1 ZINC000921552535 625985230 /nfs/dbraw/zinc/98/52/30/625985230.db2.gz VIBZQKMCJPEJNA-AWEZNQCLSA-N 0 1 286.310 2.514 20 30 CFEDMN C=C(C)CN1CC[C@H](NC(=O)c2ccoc2CCC)C1 ZINC001015990390 625987708 /nfs/dbraw/zinc/98/77/08/625987708.db2.gz JYNJFAVHBSWCAD-ZDUSSCGKSA-N 0 1 276.380 2.612 20 30 CFEDMN C=CCCC[C@H](NC(=O)Cc1n[nH]c(C)n1)c1ccccc1 ZINC000921644119 626027393 /nfs/dbraw/zinc/02/73/93/626027393.db2.gz HBKRHVMYSTZEQU-HNNXBMFYSA-N 0 1 298.390 2.869 20 30 CFEDMN C=C(Cl)CN[C@@H]1CCCN(C(=O)[C@@H]2CCC2(C)C)C1 ZINC000999924940 626084359 /nfs/dbraw/zinc/08/43/59/626084359.db2.gz CMWZMWYGACDUQL-OLZOCXBDSA-N 0 1 284.831 2.756 20 30 CFEDMN C=C(Cl)CN[C@@H]1CCCN(C(=O)[C@H]2CCC2(C)C)C1 ZINC000999924939 626084463 /nfs/dbraw/zinc/08/44/63/626084463.db2.gz CMWZMWYGACDUQL-CHWSQXEVSA-N 0 1 284.831 2.756 20 30 CFEDMN C=CCSCCNCc1csc(-c2ccn(C)n2)n1 ZINC000921689653 626088124 /nfs/dbraw/zinc/08/81/24/626088124.db2.gz WBECLFBKQNNAPT-UHFFFAOYSA-N 0 1 294.449 2.552 20 30 CFEDMN C=C(Cl)CN[C@H]1CCCN(C(=O)[C@@H]2C[C@H]2CCC)C1 ZINC001000135518 626089917 /nfs/dbraw/zinc/08/99/17/626089917.db2.gz IXFPRTBVGCCJSI-HZSPNIEDSA-N 0 1 284.831 2.756 20 30 CFEDMN C=C(Cl)CN[C@@H]1CCCN(C(=O)[C@H]2CC23CCC3)C1 ZINC001000324693 626109038 /nfs/dbraw/zinc/10/90/38/626109038.db2.gz OVKROSXMVHHRBN-CHWSQXEVSA-N 0 1 282.815 2.510 20 30 CFEDMN C[C@@H](NCc1cnn(CCF)c1)c1cccc(C#N)c1 ZINC000921803855 626131731 /nfs/dbraw/zinc/13/17/31/626131731.db2.gz ZHAROXQXTJXIML-GFCCVEGCSA-N 0 1 272.327 2.575 20 30 CFEDMN C#CCN1CC=C(CNC(=O)[C@H]2CCC[C@@H]2CCC)CC1 ZINC001000865378 626133621 /nfs/dbraw/zinc/13/36/21/626133621.db2.gz BGMCJCIKHFKNJJ-IRXDYDNUSA-N 0 1 288.435 2.584 20 30 CFEDMN CC#CCN1CC=C(CNC(=O)[C@@H]2CCCC[C@H]2C)CC1 ZINC001001099749 626143699 /nfs/dbraw/zinc/14/36/99/626143699.db2.gz LFMMQKQHCWVKGM-NVXWUHKLSA-N 0 1 288.435 2.584 20 30 CFEDMN C=C(Cl)C[N@H+]1C[C@@H](c2ccccc2)[C@H](C(=O)[O-])C1 ZINC000851709055 634480547 /nfs/dbraw/zinc/48/05/47/634480547.db2.gz QNJGYWDMVFNANS-QWHCGFSZSA-N 0 1 265.740 2.539 20 30 CFEDMN C#CCN1CC=C(CNC(=O)[C@H]2CCCC(C)(C)C2)CC1 ZINC001001481865 626159734 /nfs/dbraw/zinc/15/97/34/626159734.db2.gz SIBVPUTZGHDNSH-INIZCTEOSA-N 0 1 288.435 2.584 20 30 CFEDMN CC#CCN1CCC(NC(=O)c2sccc2Cl)CC1 ZINC001002891872 626202440 /nfs/dbraw/zinc/20/24/40/626202440.db2.gz WLZREDOKXGNVKT-UHFFFAOYSA-N 0 1 296.823 2.619 20 30 CFEDMN C=CCN1CC[C@H](NC(=O)[C@@H]2CCCC(C)(C)C2)C1 ZINC001016362001 626216789 /nfs/dbraw/zinc/21/67/89/626216789.db2.gz JGJFPEOWZONJRN-KGLIPLIRSA-N 0 1 264.413 2.579 20 30 CFEDMN CC#CCN1CCC(NC(=O)[C@@]2(C)CCC[C@H]2CC)CC1 ZINC001003156806 626223269 /nfs/dbraw/zinc/22/32/69/626223269.db2.gz VJCPEIUZJYMJJM-QAPCUYQASA-N 0 1 290.451 2.807 20 30 CFEDMN C=CCN1CC[C@@H](NC(=O)c2ccc(-c3ccccc3)[nH]2)C1 ZINC001016397274 626233394 /nfs/dbraw/zinc/23/33/94/626233394.db2.gz WPHYOAWBSOTSSJ-OAHLLOKOSA-N 0 1 295.386 2.672 20 30 CFEDMN CC#CCN1CCC(NC(=O)[C@@H]2C[C@@]2(CC)C(C)C)CC1 ZINC001003877091 626264902 /nfs/dbraw/zinc/26/49/02/626264902.db2.gz GKUDDRFANRDBEJ-WMZOPIPTSA-N 0 1 290.451 2.663 20 30 CFEDMN CC#CCN1CCC(NC(=O)[C@@H](C)c2ccc(C)cc2)CC1 ZINC001004003099 626276946 /nfs/dbraw/zinc/27/69/46/626276946.db2.gz HBJVGPIHVTXGKH-INIZCTEOSA-N 0 1 298.430 2.702 20 30 CFEDMN CC#CCN1CCC(NC(=O)c2ccc(Cl)cc2)CC1 ZINC001004020482 626278702 /nfs/dbraw/zinc/27/87/02/626278702.db2.gz DHEKMIGEWOYXRD-UHFFFAOYSA-N 0 1 290.794 2.558 20 30 CFEDMN Cc1cc(CO)cc(C)c1CNCc1ccc(C#N)o1 ZINC000922562009 626309643 /nfs/dbraw/zinc/30/96/43/626309643.db2.gz VASVIKCSRLIECO-UHFFFAOYSA-N 0 1 270.332 2.550 20 30 CFEDMN C#CCN1CCC(NC(=O)c2ccc(C(C)C)s2)CC1 ZINC001004229398 626314686 /nfs/dbraw/zinc/31/46/86/626314686.db2.gz NHJAQHZSUMRTTC-UHFFFAOYSA-N 0 1 290.432 2.699 20 30 CFEDMN CC#CCN1CCC(NC(=O)C2CC(C(C)(C)C)C2)CC1 ZINC001004242835 626318356 /nfs/dbraw/zinc/31/83/56/626318356.db2.gz XTALNGOVKDBYMO-UHFFFAOYSA-N 0 1 290.451 2.663 20 30 CFEDMN CC(C)NC(=O)C(C#N)C(=O)CCCSC(C)(C)C ZINC000155147156 626334774 /nfs/dbraw/zinc/33/47/74/626334774.db2.gz BYAIQKJOUSERFE-NSHDSACASA-N 0 1 284.425 2.532 20 30 CFEDMN C[C@H]1Cc2cc(CNCc3ccc(C#N)o3)ccc2O1 ZINC000922702545 626348923 /nfs/dbraw/zinc/34/89/23/626348923.db2.gz NRPBJKCCIOMJTB-NSHDSACASA-N 0 1 268.316 2.764 20 30 CFEDMN N#Cc1csc(CNC[C@@H]2CCCC3(CCC3)O2)n1 ZINC000922804765 626366588 /nfs/dbraw/zinc/36/65/88/626366588.db2.gz FOMSYXRZIWZYCR-LBPRGKRZSA-N 0 1 277.393 2.596 20 30 CFEDMN C#CCN1CCC(N(C)C(=O)[C@H]2CCCC3(CC3)C2)CC1 ZINC001005380663 626414739 /nfs/dbraw/zinc/41/47/39/626414739.db2.gz FXWJPZMVGVRJIN-HNNXBMFYSA-N 0 1 288.435 2.513 20 30 CFEDMN CC#CCN1CCC(N(C)C(=O)[C@@H]2CCCC[C@H]2C)CC1 ZINC001005901495 626448255 /nfs/dbraw/zinc/44/82/55/626448255.db2.gz LNNMQQMLVUWQFE-NVXWUHKLSA-N 0 1 290.451 2.759 20 30 CFEDMN C=C(C)CN1CC[C@H](NC(=O)c2cscc2Cl)C1 ZINC001014840975 626452599 /nfs/dbraw/zinc/45/25/99/626452599.db2.gz ISDKDHKIUCFXNJ-JTQLQIEISA-N 0 1 284.812 2.782 20 30 CFEDMN CC#CCN1CCC(N(C)C(=O)c2csc(C)c2)CC1 ZINC001006139938 626479110 /nfs/dbraw/zinc/47/91/10/626479110.db2.gz LQOHWNWKPLPZLC-UHFFFAOYSA-N 0 1 290.432 2.616 20 30 CFEDMN C=C(Cl)CN1CCC2(C[C@H]2NC(=O)c2ccoc2)CC1 ZINC001016508145 626481132 /nfs/dbraw/zinc/48/11/32/626481132.db2.gz UVKHLYAPLUZRPM-CYBMUJFWSA-N 0 1 294.782 2.616 20 30 CFEDMN CCCCCCCCNC(=O)NCc1n[nH]c(C2CC2)n1 ZINC000838526990 626499481 /nfs/dbraw/zinc/49/94/81/626499481.db2.gz HQBLCKCKANHKIV-UHFFFAOYSA-N 0 1 293.415 2.842 20 30 CFEDMN Cc1cc(C(C#N)C(=O)[C@H](C)C2CCC2)nc(C)n1 ZINC000838785426 626506515 /nfs/dbraw/zinc/50/65/15/626506515.db2.gz OIDXGSHEZUFHRV-ZWNOBZJWSA-N 0 1 257.337 2.706 20 30 CFEDMN Cc1cccc(CNC(=O)C(C#N)C(=O)[C@@H](C)C2CCC2)c1 ZINC000838866964 626512012 /nfs/dbraw/zinc/51/20/12/626512012.db2.gz YRCUCFAYSICFCK-XJKSGUPXSA-N 0 1 298.386 2.756 20 30 CFEDMN C#CC[C@@H](NCc1ccc(C(=O)N(C)C)[nH]1)c1ccccc1 ZINC000756995459 626543193 /nfs/dbraw/zinc/54/31/93/626543193.db2.gz IBXSUFQSJWDNTQ-MRXNPFEDSA-N 0 1 295.386 2.571 20 30 CFEDMN COc1cc(C(C)N=Nc2ccncc2Cl)ccc1O ZINC000757465686 626552792 /nfs/dbraw/zinc/55/27/92/626552792.db2.gz VBTWBAXDAJOOFW-UHFFFAOYSA-N 0 1 291.738 2.707 20 30 CFEDMN O=C(/C=C\c1cnc(N2CCCC2)nc1)c1ccccc1O ZINC000757473707 626553201 /nfs/dbraw/zinc/55/32/01/626553201.db2.gz GOINVALEJCBVTE-FPLPWBNLSA-N 0 1 295.342 2.679 20 30 CFEDMN C[C@@H]1CC(N=Nc2ncccn2)CN1Cc1ccccc1 ZINC000757585544 626555970 /nfs/dbraw/zinc/55/59/70/626555970.db2.gz FFJAZUIZVLJLNX-CYBMUJFWSA-N 0 1 281.363 2.539 20 30 CFEDMN CCC(N=Nc1cc([N+](=O)[O-])ccc1C)c1ccn(C)n1 ZINC000758110388 626576992 /nfs/dbraw/zinc/57/69/92/626576992.db2.gz WIQXPGHZCPHHBC-UHFFFAOYSA-N 0 1 287.323 2.863 20 30 CFEDMN C[C@H]1CN(C2CC2)CC1=NOCc1ccc(F)cc1 ZINC000758143057 626579085 /nfs/dbraw/zinc/57/90/85/626579085.db2.gz OOBRFRKSQXJBPQ-NSHDSACASA-N 0 1 262.328 2.812 20 30 CFEDMN CC(C)CN(Cc1ccccc1)Cn1cccc(C#N)c1=O ZINC000758208474 626582225 /nfs/dbraw/zinc/58/22/25/626582225.db2.gz GGKFNXQDZCERQZ-UHFFFAOYSA-N 0 1 295.386 2.836 20 30 CFEDMN Cc1ccn(CN2CC[C@H](C)[C@H]3CCCC[C@@H]32)c(=O)c1C#N ZINC000758205552 626582451 /nfs/dbraw/zinc/58/24/51/626582451.db2.gz MSGIFUGZECEQOC-LXZKKBNFSA-N 0 1 299.418 2.887 20 30 CFEDMN CCCCN(Cn1cccc(C#N)c1=O)[C@H](C)CC ZINC000758207929 626582498 /nfs/dbraw/zinc/58/24/98/626582498.db2.gz VHBLYVSYLIYHEO-CYBMUJFWSA-N 0 1 261.369 2.578 20 30 CFEDMN CCC[C@@H]1[C@@H](C)CCCN1Cn1cccc(C#N)c1=O ZINC000758232277 626584370 /nfs/dbraw/zinc/58/43/70/626584370.db2.gz POQDJIZQRWVBDU-DZGCQCFKSA-N 0 1 273.380 2.578 20 30 CFEDMN CCCCCCCN1CC(=O)N[C@H]2CCCC[C@@H]21 ZINC000758775346 626608025 /nfs/dbraw/zinc/60/80/25/626608025.db2.gz UXVZDNZMANSTQT-KBPBESRZSA-N 0 1 252.402 2.700 20 30 CFEDMN C#Cc1cccc(N(C)Cc2n[nH]c(C)c2C(=O)OCC)c1 ZINC000851751636 634511680 /nfs/dbraw/zinc/51/16/80/634511680.db2.gz VLGGNOSCFYPUIZ-UHFFFAOYSA-N 0 1 297.358 2.513 20 30 CFEDMN COc1cc(F)cc(N=NC2CCn3cccc32)c1 ZINC000759212254 626637088 /nfs/dbraw/zinc/63/70/88/626637088.db2.gz CGRJIQCTWCHPTM-UHFFFAOYSA-N 0 1 259.284 2.856 20 30 CFEDMN CN(C)c1nccc(N=NCc2cccc(Cl)c2F)n1 ZINC000759664854 626681501 /nfs/dbraw/zinc/68/15/01/626681501.db2.gz DVSKJVQVPORAJZ-UHFFFAOYSA-N 0 1 293.733 2.781 20 30 CFEDMN COc1ccc(NC(=O)C(C#N)C(=O)[C@@H]2CC23CCC3)cc1 ZINC000759835775 626694542 /nfs/dbraw/zinc/69/45/42/626694542.db2.gz VQDLOQWMFCSNCV-KBPBESRZSA-N 0 1 298.342 2.533 20 30 CFEDMN Cc1cc(C)c(C=Nn2c(=O)c3ccccc3[nH]c2=S)[nH]1 ZINC000760238958 626722593 /nfs/dbraw/zinc/72/25/93/626722593.db2.gz FXKVGMWTIZHAEG-UHFFFAOYSA-N 0 1 298.371 2.512 20 30 CFEDMN Fc1cc(C=NNc2cnccn2)c2ncccc2c1 ZINC000760243937 626723095 /nfs/dbraw/zinc/72/30/95/626723095.db2.gz VZRGFLKCPJJSST-UHFFFAOYSA-N 0 1 267.267 2.610 20 30 CFEDMN CCCN(C)c1ccc(C(O)=C(C#N)c2ccncn2)cc1 ZINC000760334826 626735808 /nfs/dbraw/zinc/73/58/08/626735808.db2.gz RKPHPFQXPKBJHQ-HNNXBMFYSA-N 0 1 294.358 2.813 20 30 CFEDMN N#C[C@H](C(=O)[C@@H]1C[C@@H]1c1cccc(F)c1F)c1ccncn1 ZINC000760344356 626737437 /nfs/dbraw/zinc/73/74/37/626737437.db2.gz HFUFTNKWCCGYLC-UTUOFQBUSA-N 0 1 299.280 2.735 20 30 CFEDMN N#C[C@H](C(=O)[C@H]1C[C@H]1c1ccc(F)cc1)c1ccncn1 ZINC000760353544 626738763 /nfs/dbraw/zinc/73/87/63/626738763.db2.gz QHRJGORKAQKCRU-IHRRRGAJSA-N 0 1 281.290 2.596 20 30 CFEDMN N#CC(C(=O)CCCOc1ccc(F)cc1)c1ccncn1 ZINC000760359000 626740036 /nfs/dbraw/zinc/74/00/36/626740036.db2.gz RMYKOIYAWJIRLJ-CQSZACIVSA-N 0 1 299.305 2.651 20 30 CFEDMN N#C[C@@H](C(=O)Cc1coc2cc(F)ccc12)c1ccncn1 ZINC000760358280 626740063 /nfs/dbraw/zinc/74/00/63/626740063.db2.gz OVHKVQQJDOWECB-CYBMUJFWSA-N 0 1 295.273 2.781 20 30 CFEDMN C#CCCCCC(=O)N1CCC(c2cc(C)[nH]n2)CC1 ZINC000760428529 626745155 /nfs/dbraw/zinc/74/51/55/626745155.db2.gz SRSOQQBTEHSGLM-UHFFFAOYSA-N 0 1 273.380 2.618 20 30 CFEDMN COCCON=C1CN(Cc2ccccc2)C(C)(C)C1 ZINC000761266675 626820027 /nfs/dbraw/zinc/82/00/27/626820027.db2.gz KHMLJNLPDDFXPI-UHFFFAOYSA-N 0 1 276.380 2.690 20 30 CFEDMN C[C@H]1CC(N=Nc2cc(F)c(F)cc2F)CN1C ZINC000761810119 626859981 /nfs/dbraw/zinc/85/99/81/626859981.db2.gz QPSKBFSWFQCICK-ZETCQYMHSA-N 0 1 257.259 2.596 20 30 CFEDMN C[C@H]1CC(N=Nc2cccc(Cl)c2F)CN1C ZINC000761813235 626860212 /nfs/dbraw/zinc/86/02/12/626860212.db2.gz VGNMMYSMWPVGDD-QMMMGPOBSA-N 0 1 255.724 2.971 20 30 CFEDMN CC(=NNc1ccc(-n2ccnc2)nn1)c1ccccc1F ZINC000761839729 626863148 /nfs/dbraw/zinc/86/31/48/626863148.db2.gz UQNYKHDHDODEIZ-UHFFFAOYSA-N 0 1 296.309 2.638 20 30 CFEDMN CC(=NNc1ccc(-n2ccnc2)nn1)c1cc(C)oc1C ZINC000761855296 626864434 /nfs/dbraw/zinc/86/44/34/626864434.db2.gz NYUTWTBITDYMME-UHFFFAOYSA-N 0 1 296.334 2.708 20 30 CFEDMN CCn1cc(C=NNc2cnn(C)c2)c2ccccc21 ZINC000761860973 626865362 /nfs/dbraw/zinc/86/53/62/626865362.db2.gz QCBZDBMVHFVGDX-UHFFFAOYSA-N 0 1 267.336 2.841 20 30 CFEDMN Cn1cc(NN=Cc2cn(CCC#N)c3ccccc23)cn1 ZINC000761865780 626866033 /nfs/dbraw/zinc/86/60/33/626866033.db2.gz CYLWYWKDWWFOGX-UHFFFAOYSA-N 0 1 292.346 2.734 20 30 CFEDMN CC(=NNc1cnn(C)c1)c1ccc(C)c(C)c1O ZINC000761885084 626869148 /nfs/dbraw/zinc/86/91/48/626869148.db2.gz NXSTYIXEJIGCOV-UHFFFAOYSA-N 0 1 258.325 2.579 20 30 CFEDMN COc1ccc(C=NNc2cc(C)nc(C)n2)s1 ZINC000763169942 626968278 /nfs/dbraw/zinc/96/82/78/626968278.db2.gz ZGHSAEORRODBQF-UHFFFAOYSA-N 0 1 262.338 2.610 20 30 CFEDMN Cc1nc(C2CCCC2)sc1C(=O)NC1=NO[C@H](C)C1 ZINC000763260796 626973586 /nfs/dbraw/zinc/97/35/86/626973586.db2.gz STLSBZFDXMYINQ-MRVPVSSYSA-N 0 1 293.392 2.961 20 30 CFEDMN CN1CCN(c2ccccc2NCc2ccc(C#N)o2)CC1 ZINC000763501283 626992231 /nfs/dbraw/zinc/99/22/31/626992231.db2.gz HKSWOJLDAOMWSK-UHFFFAOYSA-N 0 1 296.374 2.515 20 30 CFEDMN CC#CCCN1CCN(C(=O)OC(C)(C)C)[C@H](C)[C@@H]1C ZINC000765003527 627112377 /nfs/dbraw/zinc/11/23/77/627112377.db2.gz PCEYHRMHWZZQGI-UONOGXRCSA-N 0 1 280.412 2.730 20 30 CFEDMN COc1ccsc1CNCc1ccc(C#N)cc1 ZINC000765237588 627126027 /nfs/dbraw/zinc/12/60/27/627126027.db2.gz GFJBBFMZBBQNHW-UHFFFAOYSA-N 0 1 258.346 2.918 20 30 CFEDMN CC(C)c1cc(C(=O)N=C2C[C@@H](C)ON2)nn1C(C)(C)C ZINC000765378901 627133756 /nfs/dbraw/zinc/13/37/56/627133756.db2.gz DZXMYBFZZNMTOW-SNVBAGLBSA-N 0 1 292.383 2.614 20 30 CFEDMN C[C@@H]1CC(N=Nc2cccnn2)CN(Cc2ccccc2)C1 ZINC000767378436 627246602 /nfs/dbraw/zinc/24/66/02/627246602.db2.gz GRKPOVTUSYFAHH-CQSZACIVSA-N 0 1 295.390 2.787 20 30 CFEDMN CC(=NNc1ccccc1S(C)(=O)=O)c1occc1C ZINC000767781108 627284608 /nfs/dbraw/zinc/28/46/08/627284608.db2.gz IRZBZUKIUBUGOK-UHFFFAOYSA-N 0 1 292.360 2.828 20 30 CFEDMN COc1ccc(NN=Cc2ccc(C#N)cc2)c([N+](=O)[O-])c1 ZINC000767803360 627286186 /nfs/dbraw/zinc/28/61/86/627286186.db2.gz MQJVEQUBLMOSST-UHFFFAOYSA-N 0 1 296.286 2.921 20 30 CFEDMN Cn1cc(CN=Nc2c(Cl)cc(F)cc2Cl)nn1 ZINC000767910342 627294202 /nfs/dbraw/zinc/29/42/02/627294202.db2.gz RBNPXUPMMBYYSY-UHFFFAOYSA-N 0 1 288.113 2.707 20 30 CFEDMN Cc1cc(CC(=O)OCc2ccccc2C(C)(C)C#N)n[nH]1 ZINC000768040066 627305851 /nfs/dbraw/zinc/30/58/51/627305851.db2.gz PBDUEHCUOOBBOR-UHFFFAOYSA-N 0 1 297.358 2.805 20 30 CFEDMN N#CC1(COC(=O)c2cc(-c3ccco3)n[nH]2)CCC1 ZINC000768096545 627313208 /nfs/dbraw/zinc/31/32/08/627313208.db2.gz HLZIKFJVAVCRPN-UHFFFAOYSA-N 0 1 271.276 2.520 20 30 CFEDMN N#Cc1cc(Cl)nc(NN=Cc2cccc(F)c2O)c1 ZINC000768374733 627338075 /nfs/dbraw/zinc/33/80/75/627338075.db2.gz JLYHXNNCTCCVIK-UHFFFAOYSA-N 0 1 290.685 2.897 20 30 CFEDMN C#CCN(CC)Cc1ccc(OCCC)c(OC)c1 ZINC000769111604 627403744 /nfs/dbraw/zinc/40/37/44/627403744.db2.gz SELMNIIGTOYKIK-UHFFFAOYSA-N 0 1 261.365 2.939 20 30 CFEDMN N#C[C@H]1CC[C@H]([NH2+]Cc2cc(Cl)ccc2[O-])C1 ZINC000769944189 627489675 /nfs/dbraw/zinc/48/96/75/627489675.db2.gz LIFVSJHSXKSTSV-CABZTGNLSA-N 0 1 250.729 2.827 20 30 CFEDMN N#C[C@@H]1CC[C@H]([NH2+]Cc2cc(Br)ccc2[O-])C1 ZINC000769945170 627489910 /nfs/dbraw/zinc/48/99/10/627489910.db2.gz QZTPCLULCYEWJU-SKDRFNHKSA-N 0 1 295.180 2.937 20 30 CFEDMN C#C[C@H](C)N(C)C[C@H](O)c1ccc(Cl)cc1Cl ZINC000769960931 627491578 /nfs/dbraw/zinc/49/15/78/627491578.db2.gz FAFYLOWNYWZLOF-ZANVPECISA-N 0 1 272.175 2.980 20 30 CFEDMN CCc1cc(CNc2snc(Cl)c2C#N)n[nH]1 ZINC000771202533 627583743 /nfs/dbraw/zinc/58/37/43/627583743.db2.gz BNKQTPGFMJXJNT-UHFFFAOYSA-N 0 1 267.745 2.566 20 30 CFEDMN CC[C@@H](C(=O)OCC#Cc1ccc(F)cc1)N(CC)CC ZINC000771361288 627597978 /nfs/dbraw/zinc/59/79/78/627597978.db2.gz HSYNRHSOWFJGHI-INIZCTEOSA-N 0 1 291.366 2.841 20 30 CFEDMN N#Cc1ccc(CN[C@H](CCO)c2cccs2)c(F)c1 ZINC000772921442 627758903 /nfs/dbraw/zinc/75/89/03/627758903.db2.gz PYGJMNKSDVQLES-CQSZACIVSA-N 0 1 290.363 2.972 20 30 CFEDMN C=C(Cl)CN[C@@H](C)c1cccc(N2CCOCC2)c1 ZINC000773006439 627767731 /nfs/dbraw/zinc/76/77/31/627767731.db2.gz XYSMXKAPCSYVDM-ZDUSSCGKSA-N 0 1 280.799 2.926 20 30 CFEDMN COc1cc(CN=Nc2ccncc2Cl)ccc1C ZINC000773060601 627776243 /nfs/dbraw/zinc/77/62/43/627776243.db2.gz ZOBLQULIEAQSSR-UHFFFAOYSA-N 0 1 275.739 2.920 20 30 CFEDMN COc1ccc(CN[C@@H](C)c2cncc(F)c2)cc1C#N ZINC000773079087 627780041 /nfs/dbraw/zinc/78/00/41/627780041.db2.gz WPSBNQXRPLAGBB-NSHDSACASA-N 0 1 285.322 2.952 20 30 CFEDMN CC(C)c1nccnc1NN=Cc1cnc([C@H](C)O)s1 ZINC000773090032 627781816 /nfs/dbraw/zinc/78/18/16/627781816.db2.gz FAEAKQYWAMDGEY-VIFPVBQESA-N 0 1 291.380 2.556 20 30 CFEDMN CC(C)c1nccnc1NN=Cc1cccc([N+](=O)[O-])c1 ZINC000773091727 627782620 /nfs/dbraw/zinc/78/26/20/627782620.db2.gz WUGLDERMCGISPV-UHFFFAOYSA-N 0 1 285.307 2.954 20 30 CFEDMN CC(C)c1nccnc1N=NC1CCCc2[nH]c(=O)ccc21 ZINC000773094770 627782969 /nfs/dbraw/zinc/78/29/69/627782969.db2.gz RAZBGVPUTQWHBF-UHFFFAOYSA-N 0 1 297.362 2.853 20 30 CFEDMN CCCCCNC(=O)[C@H](C#N)C(=O)[C@H]1CCCC1(C)C ZINC000773967600 627874317 /nfs/dbraw/zinc/87/43/17/627874317.db2.gz AJLFLXXOHCWKNT-CHWSQXEVSA-N 0 1 278.396 2.828 20 30 CFEDMN Cc1cc(C(C#N)C(=O)[C@H]2C[C@@H]2C(C)C)nc(C)n1 ZINC000773972876 627874963 /nfs/dbraw/zinc/87/49/63/627874963.db2.gz QNMAUFXOMZRAPF-AGIUHOORSA-N 0 1 257.337 2.562 20 30 CFEDMN Cc1cccc(NC(=O)C(C#N)C(=O)C2(F)CCCC2)c1 ZINC000773976897 627875293 /nfs/dbraw/zinc/87/52/93/627875293.db2.gz SHGMIMXHNNZXLJ-ZDUSSCGKSA-N 0 1 288.322 2.925 20 30 CFEDMN COC(=O)c1coc(/C=C\C(=O)c2ccccc2O)c1 ZINC000774137472 627892868 /nfs/dbraw/zinc/89/28/68/627892868.db2.gz WDCDZTZZLURGHK-SREVYHEPSA-N 0 1 272.256 2.668 20 30 CFEDMN CCOCCON=C1CN(Cc2ccccc2)CC[C@@H]1C ZINC000774422215 627923879 /nfs/dbraw/zinc/92/38/79/627923879.db2.gz JOYVAYRRKHGIGW-HNNXBMFYSA-N 0 1 290.407 2.938 20 30 CFEDMN C=CC[N@H+](Cc1ccc([N+](=O)[O-])c(OC)c1[O-])C(C)C ZINC000774838805 627969684 /nfs/dbraw/zinc/96/96/84/627969684.db2.gz LSAJICRYDUSFLT-UHFFFAOYSA-N 0 1 280.324 2.705 20 30 CFEDMN C#C[C@@H](NCc1ccc(OCCC)cc1)[C@H]1CCCO1 ZINC000775339965 628012001 /nfs/dbraw/zinc/01/20/01/628012001.db2.gz DZJWFJUTGAMWCR-IAGOWNOFSA-N 0 1 273.376 2.746 20 30 CFEDMN C#C[C@H](NCc1cccc(OC(C)C)c1)[C@@H]1CCCO1 ZINC000775341638 628012631 /nfs/dbraw/zinc/01/26/31/628012631.db2.gz MMDHZOJZAIFHGD-IRXDYDNUSA-N 0 1 273.376 2.744 20 30 CFEDMN C#C[C@H](NCc1ccc(N(CC)CC)cc1)[C@@H]1CCCO1 ZINC000775344231 628013109 /nfs/dbraw/zinc/01/31/09/628013109.db2.gz FMJQSLDYCSBTSR-ROUUACIJSA-N 0 1 286.419 2.803 20 30 CFEDMN C#C[C@@H](NCc1ccc(OC(F)F)c(F)c1)[C@@H]1CCCO1 ZINC000775343888 628013676 /nfs/dbraw/zinc/01/36/76/628013676.db2.gz ZGQIPTSQXJOQDB-OCCSQVGLSA-N 0 1 299.292 2.698 20 30 CFEDMN C#C[C@H](NCc1ccc(N2CCCCC2)cc1)[C@@H]1CCCO1 ZINC000775346623 628014036 /nfs/dbraw/zinc/01/40/36/628014036.db2.gz WCYBAMMHKGMHNS-OALUTQOASA-N 0 1 298.430 2.947 20 30 CFEDMN C#C[C@@H](NCc1ccc(N2CCCCC2)cc1)[C@H]1CCCO1 ZINC000775346625 628014470 /nfs/dbraw/zinc/01/44/70/628014470.db2.gz WCYBAMMHKGMHNS-RTBURBONSA-N 0 1 298.430 2.947 20 30 CFEDMN C#CC[C@@H](NCC(=O)NC1CCCCC1)c1ccccc1 ZINC000775401268 628020895 /nfs/dbraw/zinc/02/08/95/628020895.db2.gz YDIPLYFSGDUYQU-QGZVFWFLSA-N 0 1 284.403 2.790 20 30 CFEDMN C#CC[C@@H](NCC(=O)Nc1ccc(O)cc1)c1ccccc1 ZINC000775399893 628021013 /nfs/dbraw/zinc/02/10/13/628021013.db2.gz VWDXNLGUMIUTDW-QGZVFWFLSA-N 0 1 294.354 2.685 20 30 CFEDMN C#C[C@H](N[C@@H]1CCCc2nc(CC)sc21)[C@H]1CCCO1 ZINC000775572012 628040527 /nfs/dbraw/zinc/04/05/27/628040527.db2.gz NUYDVMZCBXIVIQ-OUCADQQQSA-N 0 1 290.432 2.853 20 30 CFEDMN C#C[C@H](N[C@H](C)c1ccc(C)c([N+](=O)[O-])c1)[C@H]1CCCO1 ZINC000775575797 628042490 /nfs/dbraw/zinc/04/24/90/628042490.db2.gz YTOPCLJAFOKSRD-IVMMDQJWSA-N 0 1 288.347 2.735 20 30 CFEDMN C#C[C@H](N[C@H](C)c1cc(C)ccc1OC)[C@H]1CCCO1 ZINC000775575428 628042543 /nfs/dbraw/zinc/04/25/43/628042543.db2.gz XDKIQOTUDHIWEO-UKPHBRMFSA-N 0 1 273.376 2.835 20 30 CFEDMN C=C(C)CCN1CCO[C@@H]([C@H](C)NC(=O)OC(C)(C)C)C1 ZINC000775615607 628045843 /nfs/dbraw/zinc/04/58/43/628045843.db2.gz QBMDWOGBXRGZIM-UONOGXRCSA-N 0 1 298.427 2.567 20 30 CFEDMN C[C@H](CC#N)N(C)Cc1cc(Cl)cc(F)c1O ZINC000775676897 628054085 /nfs/dbraw/zinc/05/40/85/628054085.db2.gz AGYDYPYDZWHFCW-MRVPVSSYSA-N 0 1 256.708 2.919 20 30 CFEDMN C#C[C@@H](NCc1ccc(C(C)(C)C#N)cc1)[C@@H]1CCCO1 ZINC000775791886 628068692 /nfs/dbraw/zinc/06/86/92/628068692.db2.gz OSEOMFARFZZTJR-SJORKVTESA-N 0 1 282.387 2.758 20 30 CFEDMN C#C[C@H](NCc1ccc(C(F)F)cc1)[C@@H]1CCCO1 ZINC000775791640 628069081 /nfs/dbraw/zinc/06/90/81/628069081.db2.gz NHEUTDSQGMADCE-KBPBESRZSA-N 0 1 265.303 2.895 20 30 CFEDMN C#C[C@@H](NCCOc1ccc2ccccc2c1)[C@@H]1CCCO1 ZINC000775798707 628069812 /nfs/dbraw/zinc/06/98/12/628069812.db2.gz IMVTZSIICGFXFC-MOPGFXCFSA-N 0 1 295.382 2.989 20 30 CFEDMN C#C[C@H](NCCOc1ccc(SC)cc1)[C@H]1CCCO1 ZINC000775797128 628069970 /nfs/dbraw/zinc/06/99/70/628069970.db2.gz APLSQLSSKPTKBH-JKSUJKDBSA-N 0 1 291.416 2.558 20 30 CFEDMN C#CCOc1ccccc1NC(=O)c1cccc2[nH]ncc21 ZINC000775942522 628087453 /nfs/dbraw/zinc/08/74/53/628087453.db2.gz DTHSNHPLBLZNOV-UHFFFAOYSA-N 0 1 291.310 2.827 20 30 CFEDMN CCCCCCNC(=O)[C@H]1CCCN(CC2(C#N)CC2)C1 ZINC000775961570 628088815 /nfs/dbraw/zinc/08/88/15/628088815.db2.gz NDLXTKGGEXSUKM-HNNXBMFYSA-N 0 1 291.439 2.699 20 30 CFEDMN C#C[C@H](NCc1c(C)nn(C(C)(C)C)c1C)[C@H]1CCCO1 ZINC000776003139 628093008 /nfs/dbraw/zinc/09/30/08/628093008.db2.gz VNAIXXULKRYITQ-JKSUJKDBSA-N 0 1 289.423 2.525 20 30 CFEDMN C[C@@H](NCc1ccc(F)cn1)c1ccc(OCC#N)cc1 ZINC000776163637 628109061 /nfs/dbraw/zinc/10/90/61/628109061.db2.gz KLLXVYOKCNUOIN-GFCCVEGCSA-N 0 1 285.322 2.974 20 30 CFEDMN C[C@@H]1CCN(Cc2ccccc2)CC1N=Nc1ncccn1 ZINC000776185817 628112757 /nfs/dbraw/zinc/11/27/57/628112757.db2.gz MWIALYJMNWSVIC-CQSZACIVSA-N 0 1 295.390 2.787 20 30 CFEDMN CC(=NNCCN1CCCCC1)c1cccc(F)c1F ZINC000776259795 628123993 /nfs/dbraw/zinc/12/39/93/628123993.db2.gz PHRGJIPUIRPQLO-UHFFFAOYSA-N 0 1 281.350 2.764 20 30 CFEDMN COc1cc(C)nc(CNCc2ccc(OCC#N)cc2)c1 ZINC000777437350 628225198 /nfs/dbraw/zinc/22/51/98/628225198.db2.gz WNKHUDDSXIXATO-UHFFFAOYSA-N 0 1 297.358 2.591 20 30 CFEDMN Clc1ccnc(NN=Cc2c[nH]nc2-c2cccnc2)c1 ZINC000777905264 628263869 /nfs/dbraw/zinc/26/38/69/628263869.db2.gz FJWDISYOYFGGGB-UHFFFAOYSA-N 0 1 298.737 2.966 20 30 CFEDMN COc1ccc2nc(NN=Cc3c[nH]cn3)c(C)cc2c1 ZINC000777911804 628264408 /nfs/dbraw/zinc/26/44/08/628264408.db2.gz PEVMKJIUSJQLMN-UHFFFAOYSA-N 0 1 281.319 2.721 20 30 CFEDMN C/C=C(\C)C(=O)NC1(C#N)CCN(Cc2ccccc2)CC1 ZINC000778112965 628278145 /nfs/dbraw/zinc/27/81/45/628278145.db2.gz IUYUQUHZIIJYQU-CRKCGEKBSA-N 0 1 297.402 2.627 20 30 CFEDMN C#CCOc1cccc(Cl)c1CN[C@@H]1CCCOC1 ZINC000778167523 628282536 /nfs/dbraw/zinc/28/25/36/628282536.db2.gz JVPINUBLGOMNGO-GFCCVEGCSA-N 0 1 279.767 2.621 20 30 CFEDMN CC(C)(C(=O)Nc1cc(C#N)ccc1O)c1cccnc1 ZINC000778400567 628304378 /nfs/dbraw/zinc/30/43/78/628304378.db2.gz VNBLIINDSQLHCZ-UHFFFAOYSA-N 0 1 281.315 2.575 20 30 CFEDMN Cc1cc(C=NNc2cc(Cl)nc(N)n2)cnc1Cl ZINC000778546777 628314261 /nfs/dbraw/zinc/31/42/61/628314261.db2.gz OOGHSPXUGYYCJU-UHFFFAOYSA-N 0 1 297.149 2.515 20 30 CFEDMN C#C[C@](C)(CC)NCC(=O)Nc1cccc(SC)c1 ZINC000852097363 634650925 /nfs/dbraw/zinc/65/09/25/634650925.db2.gz PFQVAIQCODPQAP-OAHLLOKOSA-N 0 1 276.405 2.739 20 30 CFEDMN C#C[C@@](C)(CC)NCC(=O)N1c2ccccc2CC[C@@H]1C ZINC000852097081 634650807 /nfs/dbraw/zinc/65/08/07/634650807.db2.gz KVSNHEMUEDTWON-KSSFIOAISA-N 0 1 284.403 2.746 20 30 CFEDMN C#C[C@@](C)(CC)N[C@H](C)C(=O)Nc1ccccc1C ZINC000852098657 634651763 /nfs/dbraw/zinc/65/17/63/634651763.db2.gz SAOZEIDOHKNZCI-CJNGLKHVSA-N 0 1 258.365 2.714 20 30 CFEDMN C#C[C@](C)(CC)NCC(=O)Nc1cc(C)ccc1C ZINC000852098989 634652975 /nfs/dbraw/zinc/65/29/75/634652975.db2.gz AQZXVGWGIQUGAI-MRXNPFEDSA-N 0 1 258.365 2.633 20 30 CFEDMN C#C[C@](C)(CC)N[C@@H](C)C(=O)Nc1ccccc1C ZINC000852098659 634653060 /nfs/dbraw/zinc/65/30/60/634653060.db2.gz SAOZEIDOHKNZCI-XJKSGUPXSA-N 0 1 258.365 2.714 20 30 CFEDMN COc1cccc(NN=C(C)c2ccc(O)cc2F)n1 ZINC000779819005 628410721 /nfs/dbraw/zinc/41/07/21/628410721.db2.gz FNYRJQHZTJGRDG-UHFFFAOYSA-N 0 1 275.283 2.771 20 30 CFEDMN COc1cccc(NN=C(C)c2nc(C)sc2C)n1 ZINC000779821217 628411211 /nfs/dbraw/zinc/41/12/11/628411211.db2.gz WGBZEMFROGHEIZ-UHFFFAOYSA-N 0 1 276.365 3.000 20 30 CFEDMN C#C[C@](C)(CC)N[C@@H](C)C(=O)Nc1ccc(F)c(F)c1 ZINC000852099570 634654122 /nfs/dbraw/zinc/65/41/22/634654122.db2.gz MSGIURUTADKSMH-ZUZCIYMTSA-N 0 1 280.318 2.683 20 30 CFEDMN C#CCCCCCC(=O)Nc1cccc(-c2nnc[nH]2)c1 ZINC000779936050 628420060 /nfs/dbraw/zinc/42/00/60/628420060.db2.gz CYCNYCRFRHXHIZ-UHFFFAOYSA-N 0 1 282.347 2.994 20 30 CFEDMN C#C[C@@](C)(CC)N[C@H](C)C(=O)Nc1ccc(C(C)=O)cc1 ZINC000852099973 634654404 /nfs/dbraw/zinc/65/44/04/634654404.db2.gz DWVSATSEBVTYGC-PXAZEXFGSA-N 0 1 286.375 2.608 20 30 CFEDMN C#C[C@@](C)(CC)N[C@@H](C)C(=O)Nc1cc(F)ccc1C ZINC000852099596 634654490 /nfs/dbraw/zinc/65/44/90/634654490.db2.gz NGQVIICYQBGSOI-LRDDRELGSA-N 0 1 276.355 2.853 20 30 CFEDMN C#C[C@](C)(CC)NCC(=O)Nc1nc2ccccc2s1 ZINC000852100506 634655616 /nfs/dbraw/zinc/65/56/16/634655616.db2.gz HMTKXSHPUZKECH-OAHLLOKOSA-N 0 1 287.388 2.626 20 30 CFEDMN CC(=NNC1=NC[C@H](C)N1)c1cc2ccccc2s1 ZINC000780242583 628443601 /nfs/dbraw/zinc/44/36/01/628443601.db2.gz GXUYWCLODZOZLP-VIFPVBQESA-N 0 1 272.377 2.563 20 30 CFEDMN COCc1ccc(C=NNc2ccc(OC)cn2)cc1 ZINC000780269102 628448499 /nfs/dbraw/zinc/44/84/99/628448499.db2.gz PQKQFLWWJQHVPN-UHFFFAOYSA-N 0 1 271.320 2.683 20 30 CFEDMN COc1ccc(N=NCc2ccc(F)cc2C)nc1 ZINC000780271806 628449255 /nfs/dbraw/zinc/44/92/55/628449255.db2.gz XVQBZQTWGHQGML-UHFFFAOYSA-N 0 1 259.284 2.984 20 30 CFEDMN COc1ccc(NN=C2CCc3ccccc32)nc1 ZINC000780275709 628449532 /nfs/dbraw/zinc/44/95/32/628449532.db2.gz DQWWNMGWWNHTMD-UHFFFAOYSA-N 0 1 253.305 2.853 20 30 CFEDMN C#C[C@@](C)(CC)N[C@H](C)C(=O)Nc1ccccc1C(C)=O ZINC000852102570 634656315 /nfs/dbraw/zinc/65/63/15/634656315.db2.gz ZPMMLBOLGSOCLV-PXAZEXFGSA-N 0 1 286.375 2.608 20 30 CFEDMN C#CCCCCCC(=O)C(C#N)C(=O)Nc1ccccc1 ZINC000780306677 628453665 /nfs/dbraw/zinc/45/36/65/628453665.db2.gz ZYBKRKSRYTYDKC-HNNXBMFYSA-N 0 1 282.343 2.918 20 30 CFEDMN Cc1cc(CNCc2ccc(C#N)cn2)c(C)s1 ZINC000780555087 628475289 /nfs/dbraw/zinc/47/52/89/628475289.db2.gz NLOJIRJXZRKICK-UHFFFAOYSA-N 0 1 257.362 2.921 20 30 CFEDMN C[C@H]1C(=NNCCN2CCCCC2)CCC[C@@H]1C ZINC000781121628 628523398 /nfs/dbraw/zinc/52/33/98/628523398.db2.gz BAEUPMLKZAMABK-UONOGXRCSA-N 0 1 251.418 2.874 20 30 CFEDMN Fc1cc(N=NC2CCN(Cc3ccccn3)CC2)ccn1 ZINC000781127167 628523940 /nfs/dbraw/zinc/52/39/40/628523940.db2.gz KVIYEPAJHRWFED-UHFFFAOYSA-N 0 1 299.353 2.680 20 30 CFEDMN CCC(N=Nc1ccnc(F)c1)c1c(C)nn(C)c1C ZINC000781133356 628524956 /nfs/dbraw/zinc/52/49/56/628524956.db2.gz UGFMMDWDWQFUHS-UHFFFAOYSA-N 0 1 275.331 2.797 20 30 CFEDMN C[C@H](NCCOC1CCC1)c1ccc(C#N)cc1F ZINC000781423413 628547827 /nfs/dbraw/zinc/54/78/27/628547827.db2.gz VCJKUIMTUPACFT-NSHDSACASA-N 0 1 262.328 2.917 20 30 CFEDMN CCc1cc(CN[C@@H](C)c2ccc(C#N)cc2F)[nH]n1 ZINC000781423407 628547906 /nfs/dbraw/zinc/54/79/06/628547906.db2.gz PUNIIZDCCIPTHA-JTQLQIEISA-N 0 1 272.327 2.834 20 30 CFEDMN Cn1c2ccccc2nc1C(C#N)C(=O)[C@@]1(C)CCCOC1 ZINC000781450129 628549573 /nfs/dbraw/zinc/54/95/73/628549573.db2.gz QNPUCBBZHOTLKK-PXAZEXFGSA-N 0 1 297.358 2.566 20 30 CFEDMN Nc1ncc(C=NNc2ccc(Cl)c(Cl)c2)cn1 ZINC000781589791 628563423 /nfs/dbraw/zinc/56/34/23/628563423.db2.gz OZWXBUVQFYLQSK-UHFFFAOYSA-N 0 1 282.134 2.812 20 30 CFEDMN CC1(C)CC[C@@H](C(=O)C(C#N)C(=O)NC2CCCC2)C1 ZINC000781768273 628579494 /nfs/dbraw/zinc/57/94/94/628579494.db2.gz DLINLJHBKJNTDI-DGCLKSJQSA-N 0 1 276.380 2.580 20 30 CFEDMN N#CCC1CCN(C[C@H](O)c2ccc(F)c(F)c2)CC1 ZINC000782087512 628603034 /nfs/dbraw/zinc/60/30/34/628603034.db2.gz GEALQBBNPXXNBG-HNNXBMFYSA-N 0 1 280.318 2.624 20 30 CFEDMN Cc1ccnc(NN=C2COCc3ccccc32)c1 ZINC000782243244 628618806 /nfs/dbraw/zinc/61/88/06/628618806.db2.gz RMGUZLUCOFTWTK-UHFFFAOYSA-N 0 1 253.305 2.736 20 30 CFEDMN Cc1cc[nH+]c([N-]N=C2COCc3ccccc32)c1 ZINC000782243244 628618808 /nfs/dbraw/zinc/61/88/08/628618808.db2.gz RMGUZLUCOFTWTK-UHFFFAOYSA-N 0 1 253.305 2.736 20 30 CFEDMN N#Cc1cc(F)c(C=NNc2ncncc2Cl)c(F)c1 ZINC000782281671 628623706 /nfs/dbraw/zinc/62/37/06/628623706.db2.gz DRVDABXYQNXSJS-UHFFFAOYSA-N 0 1 293.664 2.726 20 30 CFEDMN N#Cc1cc(F)c(C=NN=c2nc[nH]cc2Cl)c(F)c1 ZINC000782281671 628623708 /nfs/dbraw/zinc/62/37/08/628623708.db2.gz DRVDABXYQNXSJS-UHFFFAOYSA-N 0 1 293.664 2.726 20 30 CFEDMN C#C[C@@H](NCc1ccc2nc(C)ccc2c1)[C@@H]1CCCO1 ZINC000782530890 628643377 /nfs/dbraw/zinc/64/33/77/628643377.db2.gz ORZCFOXDXRLOAJ-AEFFLSMTSA-N 0 1 280.371 2.814 20 30 CFEDMN CO[C@H](C)CCC(=O)[C@H](C#N)c1nc2cccc(C)c2[nH]1 ZINC000782600228 628646917 /nfs/dbraw/zinc/64/69/17/628646917.db2.gz HLEPTZHDIOPSEN-NEPJUHHUSA-N 0 1 285.347 2.863 20 30 CFEDMN C#CCN(CCOC1CCC1)Cc1ccc(F)cc1 ZINC000805738099 628667494 /nfs/dbraw/zinc/66/74/94/628667494.db2.gz GYVDDIVWKLJKJY-UHFFFAOYSA-N 0 1 261.340 2.830 20 30 CFEDMN C#CCOCC/N=C/c1cc(Cl)cc(Cl)c1O ZINC000783685150 628734690 /nfs/dbraw/zinc/73/46/90/628734690.db2.gz KNUKEKQOJJPFGD-OVCLIPMQSA-N 0 1 272.131 2.768 20 30 CFEDMN CC(C)[C@H](C(=O)OCCCC(C)(C)C#N)N1CCCC1 ZINC000783780098 628745450 /nfs/dbraw/zinc/74/54/50/628745450.db2.gz VESZYVWVPGSBLX-CQSZACIVSA-N 0 1 280.412 2.980 20 30 CFEDMN Cc1cc(COC(=O)[C@@H]2CCCc3[nH]ncc32)ccc1C#N ZINC000784121055 628779347 /nfs/dbraw/zinc/77/93/47/628779347.db2.gz IFJORIXBSGCXEH-CQSZACIVSA-N 0 1 295.342 2.753 20 30 CFEDMN Cc1ccnc(NCc2n[nH]c(-c3ccccc3)n2)c1C#N ZINC000784157513 628785929 /nfs/dbraw/zinc/78/59/29/628785929.db2.gz JACFMEFCEOCETB-UHFFFAOYSA-N 0 1 290.330 2.659 20 30 CFEDMN Cc1ccnc(NCc2nc(-c3ccccc3)n[nH]2)c1C#N ZINC000784157513 628785932 /nfs/dbraw/zinc/78/59/32/628785932.db2.gz JACFMEFCEOCETB-UHFFFAOYSA-N 0 1 290.330 2.659 20 30 CFEDMN C#CCOc1ccccc1CNCc1ccc(F)nc1C ZINC000785471435 628885521 /nfs/dbraw/zinc/88/55/21/628885521.db2.gz UXDSFDTWBWSBGS-UHFFFAOYSA-N 0 1 284.334 2.831 20 30 CFEDMN C#C[C@H](NCc1ccc2cnccc2c1)[C@@H]1CCCO1 ZINC000785513125 628890616 /nfs/dbraw/zinc/89/06/16/628890616.db2.gz GLLZDZYQKICTIA-IRXDYDNUSA-N 0 1 266.344 2.505 20 30 CFEDMN COC(C)(C)CC(=O)[C@H](C#N)c1nc2cccc(C)c2[nH]1 ZINC000786424807 628955442 /nfs/dbraw/zinc/95/54/42/628955442.db2.gz YWNQHQUMOPBLSS-NSHDSACASA-N 0 1 285.347 2.863 20 30 CFEDMN C=CCC[N@H+](C)[C@H]1CCCN(c2ccc(C)cc2)C1=O ZINC000786445123 628957276 /nfs/dbraw/zinc/95/72/76/628957276.db2.gz MMZKHXKLDMWMDH-INIZCTEOSA-N 0 1 272.392 2.998 20 30 CFEDMN CC(C)(C#N)CC(=O)OC[C@@H]1CCCN1Cc1ccco1 ZINC000786471428 628959772 /nfs/dbraw/zinc/95/97/72/628959772.db2.gz XNAQNSIXOOWAQL-ZDUSSCGKSA-N 0 1 290.363 2.727 20 30 CFEDMN N#C[C@@H](C(=O)[C@H]1CCCOCC1)c1cnc2ccccc2n1 ZINC000786521307 628965175 /nfs/dbraw/zinc/96/51/75/628965175.db2.gz UTJVCEAUSNBOCJ-QWHCGFSZSA-N 0 1 295.342 2.623 20 30 CFEDMN Cc1cccc(CNC(=O)C(C#N)C(=O)[C@@H](C)C(C)C)c1 ZINC000786542699 628967268 /nfs/dbraw/zinc/96/72/68/628967268.db2.gz VGTFHXIYAAOWTF-DZGCQCFKSA-N 0 1 286.375 2.612 20 30 CFEDMN N#C[C@@]1(F)CCN(Cc2cccc(Br)c2O)C1 ZINC000786578687 628969518 /nfs/dbraw/zinc/96/95/18/628969518.db2.gz HSWQPLHSTKJGIZ-LBPRGKRZSA-N 0 1 299.143 2.592 20 30 CFEDMN COc1cc([C@H](C)NCc2ccc(OC)c(C#N)c2)ccn1 ZINC000805833883 629010332 /nfs/dbraw/zinc/01/03/32/629010332.db2.gz JFMXLCYZFDJXGO-LBPRGKRZSA-N 0 1 297.358 2.821 20 30 CFEDMN CCC(=NNc1nc2cc(F)c(F)cc2[nH]1)c1cn[nH]c1 ZINC000788975562 629112792 /nfs/dbraw/zinc/11/27/92/629112792.db2.gz PCULLULBUFNTOX-UHFFFAOYSA-N 0 1 290.277 2.790 20 30 CFEDMN CCC(=N[N-]c1[nH]c2cc(F)c(F)cc2[nH+]1)c1cn[nH]c1 ZINC000788975562 629112795 /nfs/dbraw/zinc/11/27/95/629112795.db2.gz PCULLULBUFNTOX-UHFFFAOYSA-N 0 1 290.277 2.790 20 30 CFEDMN CC(=Cc1nc(Cl)cs1)c1nc(C)c(C#N)c(=O)[nH]1 ZINC000789829269 629190492 /nfs/dbraw/zinc/19/04/92/629190492.db2.gz JMBHSQQYGHKCTR-ZZXKWVIFSA-N 0 1 292.751 2.620 20 30 CFEDMN COc1cccc(C=NNc2ccc(C(F)(F)F)cn2)n1 ZINC000790144500 629213298 /nfs/dbraw/zinc/21/32/98/629213298.db2.gz SKRIGUYZBUFTPS-UHFFFAOYSA-N 0 1 296.252 2.950 20 30 CFEDMN CCN(C)c1ccc(C=NNCc2ccccc2)cn1 ZINC000790150854 629214040 /nfs/dbraw/zinc/21/40/40/629214040.db2.gz SJSMBPJSDKHQNE-UHFFFAOYSA-N 0 1 268.364 2.661 20 30 CFEDMN Clc1sccc1C=NNC1=N[C@@H]2CCCC[C@@H]2N1 ZINC000790172847 629215860 /nfs/dbraw/zinc/21/58/60/629215860.db2.gz XNNCXBQFGWDGLI-AOOOYVTPSA-N 0 1 282.800 2.595 20 30 CFEDMN COc1cccc(OC)c1C=NNc1ncccc1C ZINC000790184700 629216999 /nfs/dbraw/zinc/21/69/99/629216999.db2.gz AEGZWYZYZJWOJK-UHFFFAOYSA-N 0 1 271.320 2.853 20 30 CFEDMN CC(=NNc1ncccc1C)c1ccc2c(c1)NC(=O)CO2 ZINC000790190758 629218110 /nfs/dbraw/zinc/21/81/10/629218110.db2.gz LRLHFPPODRQCQH-UHFFFAOYSA-N 0 1 296.330 2.557 20 30 CFEDMN C#CCOc1ccc(C=NNc2ncccc2C)cc1 ZINC000790191041 629218260 /nfs/dbraw/zinc/21/82/60/629218260.db2.gz PPULJSYEHSYWOT-UHFFFAOYSA-N 0 1 265.316 2.848 20 30 CFEDMN Cc1cccnc1NN=Cc1cnc2[nH]cccc1-2 ZINC000790193121 629218479 /nfs/dbraw/zinc/21/84/79/629218479.db2.gz UIRZGQGYCNWPGX-UHFFFAOYSA-N 0 1 251.293 2.712 20 30 CFEDMN CCCN1c2ccccc2C(=NNc2ncccc2C)C1=O ZINC000790193352 629218499 /nfs/dbraw/zinc/21/84/99/629218499.db2.gz DCANIOGCUBEVIR-UHFFFAOYSA-N 0 1 294.358 2.963 20 30 CFEDMN CC(=N[N-]c1[nH+]ccn1C)c1csc(Cl)c1 ZINC000790299602 629226849 /nfs/dbraw/zinc/22/68/49/629226849.db2.gz FYAXIADNEVIHQR-UHFFFAOYSA-N 0 1 254.746 2.971 20 30 CFEDMN Cc1cc(Br)cc(CN=Nc2nccn2C)c1 ZINC000790300343 629227282 /nfs/dbraw/zinc/22/72/82/629227282.db2.gz SIBXIWREWATQHD-UHFFFAOYSA-N 0 1 293.168 2.937 20 30 CFEDMN Cn1ccnc1NN=C1CC(C)(C)Oc2cc(F)ccc21 ZINC000790302582 629228301 /nfs/dbraw/zinc/22/83/01/629228301.db2.gz VTKONXSLGPPSLN-UHFFFAOYSA-N 0 1 288.326 2.937 20 30 CFEDMN O=[N+]([O-])c1c(F)cccc1NN=Cc1cscn1 ZINC000790306736 629229538 /nfs/dbraw/zinc/22/95/38/629229538.db2.gz NWPNKSIJUDRPMN-UHFFFAOYSA-N 0 1 266.257 2.636 20 30 CFEDMN Cc1ccc2c(c1C)C(=NNc1nccn1C)CCO2 ZINC000790306227 629229588 /nfs/dbraw/zinc/22/95/88/629229588.db2.gz STAYODOFTMPGNX-UHFFFAOYSA-N 0 1 270.336 2.636 20 30 CFEDMN C[C@H]1CN(C2CC2)CC1N=Nc1cccc(F)c1[N+](=O)[O-] ZINC000790311306 629230559 /nfs/dbraw/zinc/23/05/59/629230559.db2.gz ZOWXYZGDKSBXAF-VIFPVBQESA-N 0 1 292.314 2.616 20 30 CFEDMN N#CC[C@@H]1CCCN(Cc2cccc3nsnc32)C1 ZINC000852318984 634718589 /nfs/dbraw/zinc/71/85/89/634718589.db2.gz DDTOYVJJNQPADY-NSHDSACASA-N 0 1 272.377 2.817 20 30 CFEDMN N#CC[C@H]1CCCN(C[C@@H](O)c2cccc(Cl)c2)C1 ZINC000852318818 634720194 /nfs/dbraw/zinc/72/01/94/634720194.db2.gz CCFOJIHDNYSDIG-IUODEOHRSA-N 0 1 278.783 2.999 20 30 CFEDMN Cc1cc(OC(=O)c2ccc3cncn3c2)ccc1C#N ZINC000791035315 629282972 /nfs/dbraw/zinc/28/29/72/629282972.db2.gz SFXFNHRQWORYAN-UHFFFAOYSA-N 0 1 277.283 2.734 20 30 CFEDMN Cc1oncc1CNC(C)(C)c1cccc(C#N)c1 ZINC000852353088 634729897 /nfs/dbraw/zinc/72/98/97/634729897.db2.gz APSUWVXXYWCREB-UHFFFAOYSA-N 0 1 255.321 2.880 20 30 CFEDMN C#C[C@H](NC/C=C\c1ccc(N(C)C)cc1)[C@@H]1CCCO1 ZINC000835047991 629346109 /nfs/dbraw/zinc/34/61/09/629346109.db2.gz XPQFTUMMDPBUIY-DLCHJWGKSA-N 0 1 284.403 2.536 20 30 CFEDMN N#C[C@H](C(=O)C[C@@H]1CC[C@H]2C[C@H]21)C(=O)NC1CCCCC1 ZINC000835063969 629366903 /nfs/dbraw/zinc/36/69/03/629366903.db2.gz SLOGRJXJMLGTHQ-DDHJSBNISA-N 0 1 288.391 2.580 20 30 CFEDMN CCC[C@@H]1CCC[C@H]1C(=O)[C@H](C#N)C(=O)NC1CCCC1 ZINC000835073489 629370188 /nfs/dbraw/zinc/37/01/88/629370188.db2.gz MTTYHHIBNXWFTJ-YUELXQCFSA-N 0 1 290.407 2.970 20 30 CFEDMN CCC[C@@H]1CCC[C@@H]1C(=O)C(C#N)C(=O)Nc1ccccn1 ZINC000835076488 629372854 /nfs/dbraw/zinc/37/28/54/629372854.db2.gz JQOARJHBCHXUJI-HZSPNIEDSA-N 0 1 299.374 2.945 20 30 CFEDMN C[C@@H]1CC[C@H](C(=O)C(C#N)C(=O)Nc2ccccn2)C[C@@H]1C ZINC000835077820 629374859 /nfs/dbraw/zinc/37/48/59/629374859.db2.gz WZSNDXVUZMZYFB-RFGFWPKPSA-N 0 1 299.374 2.801 20 30 CFEDMN C#Cc1ccc(CN=Nc2ccncc2Cl)cc1 ZINC000792634466 629440236 /nfs/dbraw/zinc/44/02/36/629440236.db2.gz DODZVANWKDMTKH-UHFFFAOYSA-N 0 1 255.708 2.584 20 30 CFEDMN C#CCN(CCC(C)(C)C(=O)OC)Cc1ccc(F)cc1 ZINC000792797602 629452667 /nfs/dbraw/zinc/45/26/67/629452667.db2.gz YAVLILASOLESET-UHFFFAOYSA-N 0 1 291.366 2.850 20 30 CFEDMN C#CCN1CCC[C@@H]1COC(=O)C1(C2CCC2)CCC1 ZINC000835143792 629457998 /nfs/dbraw/zinc/45/79/98/629457998.db2.gz VTTHCRHDZCNHRV-OAHLLOKOSA-N 0 1 275.392 2.598 20 30 CFEDMN Cc1nc(C)c(C=NNc2ccccc2[N+](=O)[O-])o1 ZINC000792874279 629460793 /nfs/dbraw/zinc/46/07/93/629460793.db2.gz ZUVDKMQWSIJIJY-UHFFFAOYSA-N 0 1 260.253 2.646 20 30 CFEDMN C[C@H](C#N)OCCN1CCC(CC(F)(F)F)CC1 ZINC000792933856 629468448 /nfs/dbraw/zinc/46/84/48/629468448.db2.gz NVRNCGDCMFDTSG-SNVBAGLBSA-N 0 1 264.291 2.579 20 30 CFEDMN C[C@H]1CC(N=Nc2cccc(Cl)n2)CN1C1CC1 ZINC000793161591 629495196 /nfs/dbraw/zinc/49/51/96/629495196.db2.gz KDLSZZRKRHMVDU-VIFPVBQESA-N 0 1 264.760 2.760 20 30 CFEDMN C#CC[C@H](OC(=O)c1cccc(-c2nnc[nH]2)c1)C(C)C ZINC000793165107 629495536 /nfs/dbraw/zinc/49/55/36/629495536.db2.gz SNNQCTJFHSOWQG-AWEZNQCLSA-N 0 1 283.331 2.676 20 30 CFEDMN CC#CCCCCOC(=O)c1ccc2cncn2c1 ZINC000793220122 629507588 /nfs/dbraw/zinc/50/75/88/629507588.db2.gz CPBSZLSANCUYNY-UHFFFAOYSA-N 0 1 256.305 2.685 20 30 CFEDMN C[C@@H]1C(N=Nc2ncncc2F)CCN1Cc1ccccc1 ZINC000793218129 629507817 /nfs/dbraw/zinc/50/78/17/629507817.db2.gz OWRJFZBRYMRLAE-GFCCVEGCSA-N 0 1 299.353 2.678 20 30 CFEDMN Cc1cc([C@H](C)N[C@H]2CCc3cc(C#N)ccc32)n(C)n1 ZINC000793564662 629572644 /nfs/dbraw/zinc/57/26/44/629572644.db2.gz IOLOYLYVNOUAGP-LRDDRELGSA-N 0 1 280.375 2.938 20 30 CFEDMN COc1cc2c(cc1OC)C(=NNc1ccccn1)CC2 ZINC000794471181 629649044 /nfs/dbraw/zinc/64/90/44/629649044.db2.gz LHVLLQIVMUFTRU-UHFFFAOYSA-N 0 1 283.331 2.861 20 30 CFEDMN FC(F)c1ccc(C=NNC2=N[C@@H]3CCCC[C@H]3N2)cc1 ZINC000794524798 629654615 /nfs/dbraw/zinc/65/46/15/629654615.db2.gz VMRRPWIPJPGHFK-CHWSQXEVSA-N 0 1 292.333 2.818 20 30 CFEDMN Cn1ccnc1NN=Cc1c(F)cccc1Br ZINC000794541926 629657896 /nfs/dbraw/zinc/65/78/96/629657896.db2.gz VVNXONJCIAOFKT-UHFFFAOYSA-N 0 1 297.131 2.768 20 30 CFEDMN FCC[C@@H]1CCCC1=NNCCN1CCCCC1 ZINC000794897913 629701633 /nfs/dbraw/zinc/70/16/33/629701633.db2.gz VQHMGDPTPZMCPZ-ZDUSSCGKSA-N 0 1 255.381 2.578 20 30 CFEDMN O=C(/C=C/c1c(F)ccc(O)c1F)c1ccc(O)cc1O ZINC000794940982 629707863 /nfs/dbraw/zinc/70/78/63/629707863.db2.gz HKQZUXUGGNLVPK-HWKANZROSA-N 0 1 292.237 2.978 20 30 CFEDMN CCc1nc2c(s1)C(=NNc1cncnc1)CCC2 ZINC000794971633 629712992 /nfs/dbraw/zinc/71/29/92/629712992.db2.gz IRBQDJQHEYFPOK-UHFFFAOYSA-N 0 1 273.365 2.648 20 30 CFEDMN CC(=NNc1cncnc1)c1cc2c(s1)CCC2 ZINC000794976140 629713615 /nfs/dbraw/zinc/71/36/15/629713615.db2.gz FPWAIXQVRGMVJI-UHFFFAOYSA-N 0 1 258.350 2.863 20 30 CFEDMN CCC(N=Nc1cncnc1)c1ccc(N(C)C)cc1 ZINC000794976550 629714542 /nfs/dbraw/zinc/71/45/42/629714542.db2.gz MJGOZCFMIIQPOC-UHFFFAOYSA-N 0 1 269.352 2.769 20 30 CFEDMN CC1(C)CC(N=Nc2cncnc2)c2ccccc2O1 ZINC000794979866 629715871 /nfs/dbraw/zinc/71/58/71/629715871.db2.gz WYAQQRQKFFPETR-UHFFFAOYSA-N 0 1 268.320 2.854 20 30 CFEDMN N#Cc1cc(F)c(C=NNc2ncccc2F)c(F)c1 ZINC000794984239 629716646 /nfs/dbraw/zinc/71/66/46/629716646.db2.gz LXKDQEWYXDONDA-UHFFFAOYSA-N 0 1 276.221 2.817 20 30 CFEDMN Fc1cccc(N=NC2CCN(Cc3ccccc3)C2)n1 ZINC000795006377 629723059 /nfs/dbraw/zinc/72/30/59/629723059.db2.gz GQFLMWVQHVJCIA-UHFFFAOYSA-N 0 1 284.338 2.895 20 30 CFEDMN CC(=NNc1cccc(F)n1)c1scnc1C ZINC000795007539 629723363 /nfs/dbraw/zinc/72/33/63/629723363.db2.gz JXWNGNYKLWWMCG-UHFFFAOYSA-N 0 1 250.302 2.822 20 30 CFEDMN CCc1nc(CN=Nc2cccc(F)n2)cs1 ZINC000795009651 629723994 /nfs/dbraw/zinc/72/39/94/629723994.db2.gz GQAILJQZOFBFJK-UHFFFAOYSA-N 0 1 250.302 2.686 20 30 CFEDMN Oc1c(F)cc(C=NNc2cccc(F)n2)cc1F ZINC000795009962 629724142 /nfs/dbraw/zinc/72/41/42/629724142.db2.gz QQCBAMWWVRBVQQ-UHFFFAOYSA-N 0 1 267.210 2.651 20 30 CFEDMN CC(C)NC(=O)[C@H](C#N)C(=O)C[C@@H](C)C1CCCCC1 ZINC000102120734 629814799 /nfs/dbraw/zinc/81/47/99/629814799.db2.gz RLASTAFWMRSEAQ-TZMCWYRMSA-N 0 1 278.396 2.826 20 30 CFEDMN C=CC[C@@H](NCc1c(C)cnn1C)c1ccncc1 ZINC000796307265 629901529 /nfs/dbraw/zinc/90/15/29/629901529.db2.gz JAKQZSVAYQITSJ-CQSZACIVSA-N 0 1 256.353 2.531 20 30 CFEDMN CC(C)NC(=O)[C@H](C#N)C(=O)[C@H](F)CC1CCCCC1 ZINC000796631314 629942918 /nfs/dbraw/zinc/94/29/18/629942918.db2.gz SFKWAXJPXUNKPI-CHWSQXEVSA-N 0 1 282.359 2.528 20 30 CFEDMN CCCCCNC(=O)C(C#N)C(=O)CC[C@H](C)CC ZINC000796779950 629965323 /nfs/dbraw/zinc/96/53/23/629965323.db2.gz QLKQLVPUEOMGAE-CHWSQXEVSA-N 0 1 266.385 2.828 20 30 CFEDMN N#C[C@H](C(=O)NC1CC1)C(=O)[C@@H]1CCC[C@@H]2CCCC[C@H]12 ZINC000796792736 629968690 /nfs/dbraw/zinc/96/86/90/629968690.db2.gz INYJZYGXTFRKTK-MHEUCROKSA-N 0 1 288.391 2.580 20 30 CFEDMN C=C(Cl)CN[C@@H](C)c1ccccc1-n1ccnn1 ZINC000796815731 629971541 /nfs/dbraw/zinc/97/15/41/629971541.db2.gz FILFOZXDAUAYJI-NSHDSACASA-N 0 1 262.744 2.670 20 30 CFEDMN CC[C@](C)(OC)C(=O)C(C#N)c1cnc2ccccc2n1 ZINC000796899373 629986426 /nfs/dbraw/zinc/98/64/26/629986426.db2.gz JPGKNNQVMBBWIC-ZBEGNZNMSA-N 0 1 283.331 2.621 20 30 CFEDMN C=CCCCCN1CCn2ncc(Br)c2C1 ZINC000852626202 634792037 /nfs/dbraw/zinc/79/20/37/634792037.db2.gz RWZZNXFMLGBJKX-UHFFFAOYSA-N 0 1 284.201 2.818 20 30 CFEDMN O=C(C=Cc1cc(F)c(O)c(F)c1)c1cc[nH]c(=O)c1 ZINC000798230794 630168663 /nfs/dbraw/zinc/16/86/63/630168663.db2.gz PWHSKMGULUTDLE-UPHRSURJSA-N 0 1 277.226 2.667 20 30 CFEDMN C#C[C@H](N[C@@H]1CCc2cc(F)c(OC)cc21)[C@H]1CCCO1 ZINC000798932693 630263441 /nfs/dbraw/zinc/26/34/41/630263441.db2.gz NGNFXPGBXMZKKY-ARFHVFGLSA-N 0 1 289.350 2.592 20 30 CFEDMN N#Cc1ccc(O)c(NC(=O)CCCC2CCOCC2)c1 ZINC000798985250 630266654 /nfs/dbraw/zinc/26/66/54/630266654.db2.gz MUECBDVUJCKDFK-UHFFFAOYSA-N 0 1 288.347 2.799 20 30 CFEDMN C(#Cc1ccccc1)CN1CC[C@@H](c2ccccn2)C1 ZINC000799190277 630286039 /nfs/dbraw/zinc/28/60/39/630286039.db2.gz NWZYXUFFDIUMRZ-QGZVFWFLSA-N 0 1 262.356 2.923 20 30 CFEDMN O=[N+]([O-])c1ccccc1NN=Cc1cc(C(F)(F)F)[nH]n1 ZINC000799464784 630310993 /nfs/dbraw/zinc/31/09/93/630310993.db2.gz LWTIOQZLGMIOCT-UHFFFAOYSA-N 0 1 299.212 2.783 20 30 CFEDMN O=[N+]([O-])c1ccccc1NN=Cc1cc(C(F)(F)F)n[nH]1 ZINC000799464784 630310995 /nfs/dbraw/zinc/31/09/95/630310995.db2.gz LWTIOQZLGMIOCT-UHFFFAOYSA-N 0 1 299.212 2.783 20 30 CFEDMN Cc1cc(N=NC(C)c2coc(C(C)C)n2)ncn1 ZINC000799480824 630312694 /nfs/dbraw/zinc/31/26/94/630312694.db2.gz XRUQDEWVCOYDIF-UHFFFAOYSA-N 0 1 259.313 2.733 20 30 CFEDMN COc1cc(CN=Nc2ccc(C)cn2)ccc1C#N ZINC000799478661 630312774 /nfs/dbraw/zinc/31/27/74/630312774.db2.gz MSCMYWOTLIFVET-UHFFFAOYSA-N 0 1 266.304 2.716 20 30 CFEDMN C#C[C@H](N[C@@H]1CCCc2c(OC)cccc21)[C@H]1CCCO1 ZINC000799724669 630340287 /nfs/dbraw/zinc/34/02/87/630340287.db2.gz GNVMUUJDLVMSSI-LZLYRXPVSA-N 0 1 285.387 2.843 20 30 CFEDMN CO[NH+]=C(C)c1c[n-]c2ccc(Br)cc2c1=O ZINC000799875309 630350051 /nfs/dbraw/zinc/35/00/51/630350051.db2.gz WEUMCTAWODWTMW-UHFFFAOYSA-N 0 1 295.136 2.661 20 30 CFEDMN CCCC[C@H](C)C(=O)C(C#N)C(=O)NC1CCCC1 ZINC000800387618 630376791 /nfs/dbraw/zinc/37/67/91/630376791.db2.gz USMPIBPOHLPSOX-WCQYABFASA-N 0 1 264.369 2.580 20 30 CFEDMN C[C@@H]1C[C@H](C)[C@@H](C(=O)C(C#N)c2cnc3ccccc3n2)O1 ZINC000800410564 630380260 /nfs/dbraw/zinc/38/02/60/630380260.db2.gz ZJPPTQBAPLVWLO-JJHQXXDFSA-N 0 1 295.342 2.620 20 30 CFEDMN C#C[C@H](N[C@H](C)c1cnn(C2CCCC2)c1)[C@H]1CCCO1 ZINC000800490877 630392297 /nfs/dbraw/zinc/39/22/97/630392297.db2.gz PSPMKOTTZMFNGR-XOKHGSTOSA-N 0 1 287.407 2.830 20 30 CFEDMN COC(=O)c1c(F)cccc1N=NCc1cccc(C#N)c1 ZINC000800817513 630408163 /nfs/dbraw/zinc/40/81/63/630408163.db2.gz SRZBOTSOCBNTKS-UHFFFAOYSA-N 0 1 297.289 2.930 20 30 CFEDMN CC#CC(=O)N[C@H](c1ccccc1)c1ccc2nc[nH]c2c1 ZINC000801116423 630429372 /nfs/dbraw/zinc/42/93/72/630429372.db2.gz UHSUIWKMZIGVCZ-GOSISDBHSA-N 0 1 289.338 2.792 20 30 CFEDMN C[C@@H](C#N)OCCSc1nnc(CCC2CCCC2)[nH]1 ZINC000801656412 630464268 /nfs/dbraw/zinc/46/42/68/630464268.db2.gz FSXZFUDLEGLYCG-NSHDSACASA-N 0 1 294.424 2.948 20 30 CFEDMN C[C@@H](C#N)OCCSc1nc(CCC2CCCC2)n[nH]1 ZINC000801656412 630464272 /nfs/dbraw/zinc/46/42/72/630464272.db2.gz FSXZFUDLEGLYCG-NSHDSACASA-N 0 1 294.424 2.948 20 30 CFEDMN CC(C)N(CCO[C@@H](C)C#N)Cc1ccccc1F ZINC000801914611 630486638 /nfs/dbraw/zinc/48/66/38/630486638.db2.gz YPYKYKXWFYCSRX-ZDUSSCGKSA-N 0 1 264.344 2.965 20 30 CFEDMN C[C@@H](C#N)OCCN1CCSC[C@@H]1c1ccccc1 ZINC000801922363 630488554 /nfs/dbraw/zinc/48/85/54/630488554.db2.gz VHHCNMVJXKPYPS-DZGCQCFKSA-N 0 1 276.405 2.705 20 30 CFEDMN Cc1nc(C(C)(C)NCCO[C@H](C)C#N)sc1C ZINC000801934212 630490807 /nfs/dbraw/zinc/49/08/07/630490807.db2.gz HUGPVXGSUCOLHH-SECBINFHSA-N 0 1 267.398 2.513 20 30 CFEDMN C[C@H](C#N)OCCN[C@H](C)c1c(F)cccc1F ZINC000801937529 630491405 /nfs/dbraw/zinc/49/14/05/630491405.db2.gz PHSGOYBPGULABG-NXEZZACHSA-N 0 1 254.280 2.544 20 30 CFEDMN C=CCN1CCN(CN2CCC[C@H]2Cc2ccccc2)C1=O ZINC000839954946 630507738 /nfs/dbraw/zinc/50/77/38/630507738.db2.gz JMHAGQHLKFAWMU-KRWDZBQOSA-N 0 1 299.418 2.575 20 30 CFEDMN C=CCN1CCN(CN2CCC[C@H]2c2ccccc2)C1=O ZINC000839958285 630516159 /nfs/dbraw/zinc/51/61/59/630516159.db2.gz ZCFMHTVCKCIOED-INIZCTEOSA-N 0 1 285.391 2.705 20 30 CFEDMN C=CCN(Cn1ccc(-c2ccc(F)cn2)n1)C(C)C ZINC000839967470 630531102 /nfs/dbraw/zinc/53/11/02/630531102.db2.gz HNDGAAQVGBESJN-UHFFFAOYSA-N 0 1 274.343 2.938 20 30 CFEDMN CC(C)CN(Cc1ccc(C#N)cc1)CN1CC[C@@H](C)C1=O ZINC000839979951 630556608 /nfs/dbraw/zinc/55/66/08/630556608.db2.gz KUTUKNLLYWWVHN-OAHLLOKOSA-N 0 1 299.418 2.842 20 30 CFEDMN C=CCN1CCN(CN2CC[C@H](c3ccccc3C)C2)C1=O ZINC000839983563 630565582 /nfs/dbraw/zinc/56/55/82/630565582.db2.gz IUAHWZJTMHFTAE-INIZCTEOSA-N 0 1 299.418 2.665 20 30 CFEDMN C#CCN1CCC(C(=O)N2CCc3cc(C)c(C)cc32)CC1 ZINC000804318393 630671611 /nfs/dbraw/zinc/67/16/11/630671611.db2.gz JRLNUMPUUOPLBD-UHFFFAOYSA-N 0 1 296.414 2.538 20 30 CFEDMN CCCCCCCC(=O)N1CCN(CC)C[C@@H]1C ZINC000804378833 630677191 /nfs/dbraw/zinc/67/71/91/630677191.db2.gz CSPIKPULVLSIDR-AWEZNQCLSA-N 0 1 254.418 2.900 20 30 CFEDMN C[C@@]1(C#N)CC[C@H](OC(=O)CCCCc2cn[nH]n2)CC1 ZINC000836156922 630756152 /nfs/dbraw/zinc/75/61/52/630756152.db2.gz QOJWCPLGJXGUKB-OTVXOJSOSA-N 0 1 290.367 2.533 20 30 CFEDMN O=c1c2ccccc2[nH]c(=S)n1N=CCCC1CC1 ZINC000807959435 630926068 /nfs/dbraw/zinc/92/60/68/630926068.db2.gz SWOJYKZSZFKSAD-UHFFFAOYSA-N 0 1 273.361 2.709 20 30 CFEDMN Fc1cccc(Cl)c1N=NCc1cnccn1 ZINC000807986354 630931407 /nfs/dbraw/zinc/93/14/07/630931407.db2.gz VQIYXYHRSHCSLN-UHFFFAOYSA-N 0 1 250.664 2.715 20 30 CFEDMN CC(=[NH+][N-]c1nccnc1C1CCC1)c1csc(N)n1 ZINC000807991169 630932824 /nfs/dbraw/zinc/93/28/24/630932824.db2.gz IQKUNAJPRHTKKA-UHFFFAOYSA-N 0 1 288.380 2.619 20 30 CFEDMN Fc1ccc(C=NNc2nccnc2C2CCC2)cn1 ZINC000807994220 630933818 /nfs/dbraw/zinc/93/38/18/630933818.db2.gz MYKCFAWFMCQFFI-UHFFFAOYSA-N 0 1 271.299 2.724 20 30 CFEDMN FC(F)(F)CC(N=Nc1nc[nH]n1)c1ccccc1 ZINC000807995788 630934543 /nfs/dbraw/zinc/93/45/43/630934543.db2.gz CHRWIIRNUKUIFU-UHFFFAOYSA-N 0 1 269.230 2.573 20 30 CFEDMN CC(C)c1nnc(-c2ccccc2NC(=O)C#CC2CC2)[nH]1 ZINC000837360798 631012207 /nfs/dbraw/zinc/01/22/07/631012207.db2.gz PHWFCWMHAVLUNC-UHFFFAOYSA-N 0 1 294.358 2.947 20 30 CFEDMN O=C(C#CC1CC1)Nc1ccc2nc([C@@H]3CCCO3)[nH]c2c1 ZINC000837373442 631015615 /nfs/dbraw/zinc/01/56/15/631015615.db2.gz IJALHQMRLOIKOC-HNNXBMFYSA-N 0 1 295.342 2.766 20 30 CFEDMN C[C@H](CC(F)(F)F)C(=O)Nc1cc(C#N)ccc1O ZINC000837495632 631047651 /nfs/dbraw/zinc/04/76/51/631047651.db2.gz CSXLMYMLJXCKQH-SSDOTTSWSA-N 0 1 272.226 2.791 20 30 CFEDMN CCCCCNC(=O)[C@H](C#N)C(=O)CC1(C)CCCC1 ZINC000808978593 631061466 /nfs/dbraw/zinc/06/14/66/631061466.db2.gz OJJNCFSYBYTMNL-CYBMUJFWSA-N 0 1 278.396 2.972 20 30 CFEDMN N#C[C@H](C(=O)Nc1ccccc1)C(=O)c1ocnc1C1CC1 ZINC000808979017 631061725 /nfs/dbraw/zinc/06/17/25/631061725.db2.gz DDJKPZSLRAUFIL-LBPRGKRZSA-N 0 1 295.298 2.513 20 30 CFEDMN N#CC(C(=O)Nc1ccccc1)C(=O)c1ocnc1C1CC1 ZINC000808979017 631061729 /nfs/dbraw/zinc/06/17/29/631061729.db2.gz DDJKPZSLRAUFIL-LBPRGKRZSA-N 0 1 295.298 2.513 20 30 CFEDMN C=C(C)C[C@@H](C)C(=O)OCc1cc(O)ccc1[N+](=O)[O-] ZINC000837641026 631094542 /nfs/dbraw/zinc/09/45/42/631094542.db2.gz UENFRZURNLFASJ-SNVBAGLBSA-N 0 1 279.292 2.946 20 30 CFEDMN CN(CCCN(C)C(=O)C#CC(C)(C)C)Cc1ccco1 ZINC000837644652 631095987 /nfs/dbraw/zinc/09/59/87/631095987.db2.gz BASHVLOLLJYVGA-UHFFFAOYSA-N 0 1 290.407 2.609 20 30 CFEDMN C#CCONC(=O)[C@H](CCC)c1ccc(Cl)cc1 ZINC000855606427 635596854 /nfs/dbraw/zinc/59/68/54/635596854.db2.gz HWKMTEMKFCSZJM-CYBMUJFWSA-N 0 1 265.740 2.905 20 30 CFEDMN C#Cc1ccc(CN2CCC[C@H]2C(=O)N(CC)CC)cc1 ZINC000809552565 631233848 /nfs/dbraw/zinc/23/38/48/631233848.db2.gz NJNSMAAXDSDKLP-KRWDZBQOSA-N 0 1 284.403 2.501 20 30 CFEDMN C#Cc1ccc(CN[C@@H](CO)c2ccc(F)cc2)cc1 ZINC000809619925 631247820 /nfs/dbraw/zinc/24/78/20/631247820.db2.gz IVTKADKGGIJZAW-KRWDZBQOSA-N 0 1 269.319 2.630 20 30 CFEDMN C[C@@H](O)c1ncc(CN[C@H](C)c2cccc(C#N)c2)s1 ZINC000809622865 631248635 /nfs/dbraw/zinc/24/86/35/631248635.db2.gz MZJRBZYDRYOSRR-GHMZBOCLSA-N 0 1 287.388 2.919 20 30 CFEDMN C=CC[C@@H](NCc1cnc(CC)nc1)c1ccncc1 ZINC000840899399 631255411 /nfs/dbraw/zinc/25/54/11/631255411.db2.gz WFNMQQODTKZYSQ-OAHLLOKOSA-N 0 1 268.364 2.841 20 30 CFEDMN C#C[C@@H](C)NCc1ccc(OCC(F)(F)F)c(F)c1 ZINC000809683846 631261391 /nfs/dbraw/zinc/26/13/91/631261391.db2.gz RLIMOZUJHWTEAX-SECBINFHSA-N 0 1 275.245 2.878 20 30 CFEDMN C#C[C@H](NCc1cc([N+](=O)[O-])ccc1OCC)C(C)C ZINC000809685872 631262939 /nfs/dbraw/zinc/26/29/39/631262939.db2.gz WKAXAWCPYVHEQM-AWEZNQCLSA-N 0 1 276.336 2.741 20 30 CFEDMN C=CCN(CCOC)Cc1c(O)cc(C)cc1Cl ZINC000840941777 631274193 /nfs/dbraw/zinc/27/41/93/631274193.db2.gz LMWUOFPTFKILQX-UHFFFAOYSA-N 0 1 269.772 2.988 20 30 CFEDMN Cc1cccc(OCCCNCc2nc(C#N)cs2)c1 ZINC000810125716 631328076 /nfs/dbraw/zinc/32/80/76/631328076.db2.gz KMUIHEQCKKCOFQ-UHFFFAOYSA-N 0 1 287.388 2.882 20 30 CFEDMN Cc1cn[nH]c1CNc1ccn(-c2cccc(F)c2C#N)n1 ZINC000810151227 631335801 /nfs/dbraw/zinc/33/58/01/631335801.db2.gz FFVYSZPBXKYCAZ-UHFFFAOYSA-N 0 1 296.309 2.527 20 30 CFEDMN C#CCOc1cccc(Cl)c1CNC[C@@H](CC)OC ZINC000810176518 631339130 /nfs/dbraw/zinc/33/91/30/631339130.db2.gz NYIRBODEAZIKAO-GFCCVEGCSA-N 0 1 281.783 2.867 20 30 CFEDMN N#Cc1ccc2c(c1)CCC[C@H]2NC(=O)C(F)(F)F ZINC000841465265 631409739 /nfs/dbraw/zinc/40/97/39/631409739.db2.gz BZRVRZPQKLAIMG-LLVKDONJSA-N 0 1 268.238 2.614 20 30 CFEDMN C#CCCCCCOC(=O)[C@@]1(F)CCN(C(C)(C)C)C1 ZINC000810660642 631420609 /nfs/dbraw/zinc/42/06/09/631420609.db2.gz MKIGGNFZMPFENA-MRXNPFEDSA-N 0 1 283.387 2.936 20 30 CFEDMN Cc1cccc2c1C(=NNC1=N[C@H]3CCCC[C@@H]3N1)CC2 ZINC000841631706 631437957 /nfs/dbraw/zinc/43/79/57/631437957.db2.gz GEKMRADDXCCWTK-KBPBESRZSA-N 0 1 282.391 2.505 20 30 CFEDMN CN(Cn1cccc(C#N)c1=O)[C@H]1CCC[C@@H]1C(C)(C)C ZINC000841688751 631451056 /nfs/dbraw/zinc/45/10/56/631451056.db2.gz GRSJDBCONUYXNN-GJZGRUSLSA-N 0 1 287.407 2.824 20 30 CFEDMN CC[C@H](CC1CCCCC1)C(=O)C(C#N)C(=O)NC1CC1 ZINC000842288188 631580136 /nfs/dbraw/zinc/58/01/36/631580136.db2.gz CHIPLDHBTNUXPJ-UKRRQHHQSA-N 0 1 290.407 2.970 20 30 CFEDMN C=CCNC(=O)C(C#N)C(=O)[C@@H](CC)CC1CCCCC1 ZINC000842289290 631580242 /nfs/dbraw/zinc/58/02/42/631580242.db2.gz OYWBYWPODJJWHD-GJZGRUSLSA-N 0 1 290.407 2.994 20 30 CFEDMN COc1cccc(NN=C2CCc3ccc(C#N)cc32)n1 ZINC000811647335 631591402 /nfs/dbraw/zinc/59/14/02/631591402.db2.gz HLUQQDFLGNCENP-UHFFFAOYSA-N 0 1 278.315 2.724 20 30 CFEDMN CCOCCON=C1CCN(Cc2ccccc2)[C@@H]1C ZINC000811648081 631592711 /nfs/dbraw/zinc/59/27/11/631592711.db2.gz DMUFNWXDQWRUMV-CQSZACIVSA-N 0 1 276.380 2.690 20 30 CFEDMN COc1ccc(O)c(C(=O)/C=C/c2nc(C#N)cs2)c1 ZINC000811694251 631607390 /nfs/dbraw/zinc/60/73/90/631607390.db2.gz UNVBGDMBVVHJPO-SNAWJCMRSA-N 0 1 286.312 2.625 20 30 CFEDMN C[C@H]1CN(Cc2ccccc2)CC1N=NC12CC(C1)C2 ZINC000842546952 631662199 /nfs/dbraw/zinc/66/21/99/631662199.db2.gz ZFURSELRPIQEPJ-KTAKPFMOSA-N 0 1 269.392 2.636 20 30 CFEDMN COc1ncc(C=NNc2ncccc2Cl)s1 ZINC000812226814 631670170 /nfs/dbraw/zinc/67/01/70/631670170.db2.gz LQOHEVKNKDTOAH-UHFFFAOYSA-N 0 1 268.729 2.646 20 30 CFEDMN COc1ccc(F)cc1CN=Nc1ccc(F)cn1 ZINC000812225614 631670798 /nfs/dbraw/zinc/67/07/98/631670798.db2.gz KSNBAINPXGXMSS-UHFFFAOYSA-N 0 1 263.247 2.814 20 30 CFEDMN C=CC1CCN(CN2C[C@H](C3CCCC3)CC2=O)CC1 ZINC000842596639 631676061 /nfs/dbraw/zinc/67/60/61/631676061.db2.gz PEZGPCUSIGTJPN-MRXNPFEDSA-N 0 1 276.424 2.881 20 30 CFEDMN C#C[C@H](NC(=O)[C@H]1CCCCN1C)c1ccc(Cl)cc1 ZINC000812353942 631695585 /nfs/dbraw/zinc/69/55/85/631695585.db2.gz CVLBPXCTHMFQNP-LSDHHAIUSA-N 0 1 290.794 2.615 20 30 CFEDMN N#CC(C(=O)C1CC2(CCC2)C1)c1nnc2n1CCCCC2 ZINC000842690887 631707997 /nfs/dbraw/zinc/70/79/97/631707997.db2.gz FKUYWBPOEGRTRO-CYBMUJFWSA-N 0 1 298.390 2.761 20 30 CFEDMN COc1ccc(CNCc2ccnn2CC(C)C)cc1C#N ZINC000842693249 631709375 /nfs/dbraw/zinc/70/93/75/631709375.db2.gz IIRKDOHAKYJCSD-UHFFFAOYSA-N 0 1 298.390 2.709 20 30 CFEDMN N#C[C@H](C(=O)[C@@H]1CCCC[C@H]1C1CC1)c1ccncn1 ZINC000842759392 631731888 /nfs/dbraw/zinc/73/18/88/631731888.db2.gz VVNORAZDEMJGSB-MJBXVCDLSA-N 0 1 269.348 2.869 20 30 CFEDMN CCCCCCCC(=O)N1[C@H](C)CN(C)C[C@H]1C ZINC000155566277 650024638 /nfs/dbraw/zinc/02/46/38/650024638.db2.gz ALZBNASKACFGMR-ZIAGYGMSSA-N 0 1 254.418 2.898 20 30 CFEDMN C#C[C@H](N[C@@H]1CCCc2c(O)cccc21)[C@@H]1CCCO1 ZINC000812731457 631764217 /nfs/dbraw/zinc/76/42/17/631764217.db2.gz LREUFRQYZTVUFA-UXLLHSPISA-N 0 1 271.360 2.540 20 30 CFEDMN C#CCONC(=O)[C@@H](C)c1ccc2cc(OC)ccc2c1 ZINC000812782836 631774793 /nfs/dbraw/zinc/77/47/93/631774793.db2.gz LGQUMRLMWZIITK-LBPRGKRZSA-N 0 1 283.327 2.633 20 30 CFEDMN CC(=O)[C@H](C)CCCCC(=O)Nc1cc(C#N)ccc1O ZINC000155694585 650028983 /nfs/dbraw/zinc/02/89/83/650028983.db2.gz LUFDDZIJUNAICJ-LLVKDONJSA-N 0 1 288.347 2.988 20 30 CFEDMN CC(C)C[C@](C)(C#N)NC(=O)[C@@]1(F)CCN(C(C)(C)C)C1 ZINC000813061492 631822484 /nfs/dbraw/zinc/82/24/84/631822484.db2.gz JAJVQJMCXUVQFW-HZPDHXFCSA-N 0 1 297.418 2.643 20 30 CFEDMN N#CC(C(=O)C1=COCC1)c1cc(C(F)(F)F)ccn1 ZINC000813218426 631882930 /nfs/dbraw/zinc/88/29/30/631882930.db2.gz OUUWFVKXCFRPEE-SNVBAGLBSA-N 0 1 282.221 2.581 20 30 CFEDMN N#CC(C(=O)CSCC(F)(F)F)c1ccccn1 ZINC000156026992 650040990 /nfs/dbraw/zinc/04/09/90/650040990.db2.gz JBIJXSRAUOUXJH-QMMMGPOBSA-N 0 1 274.267 2.553 20 30 CFEDMN C#CC[C@H]1CCCN(Cc2cn(-c3ccccc3C)nn2)C1 ZINC000843421981 631951160 /nfs/dbraw/zinc/95/11/60/631951160.db2.gz AWPZJROVZCEBTH-INIZCTEOSA-N 0 1 294.402 2.811 20 30 CFEDMN N#CC[C@]1(O)CCN(Cc2ccccc2N2CCCCC2)C1 ZINC000843424942 631953384 /nfs/dbraw/zinc/95/33/84/631953384.db2.gz AXDYGPXKOLSHJM-SFHVURJKSA-N 0 1 299.418 2.527 20 30 CFEDMN C#Cc1ccc(CN2C[C@@H](C)OC3(CCC3)C2)cc1 ZINC000843431937 631957186 /nfs/dbraw/zinc/95/71/86/631957186.db2.gz FCSJVBPFODLLOG-CQSZACIVSA-N 0 1 255.361 2.811 20 30 CFEDMN CCC[C@H](CC1CCCCC1)C(=O)N[C@H]1CNC[C@@H]1C#N ZINC000843460106 631963748 /nfs/dbraw/zinc/96/37/48/631963748.db2.gz MEOMHTQTGAJRBI-PMPSAXMXSA-N 0 1 291.439 2.601 20 30 CFEDMN C=CCONC(=O)[C@@H]1CCc2cc(Br)ccc21 ZINC000843900691 632075248 /nfs/dbraw/zinc/07/52/48/632075248.db2.gz CQVKEEQULYIWTQ-GFCCVEGCSA-N 0 1 296.164 2.713 20 30 CFEDMN C#CC[C@H]1CCCN(C(=O)c2c(C)n[nH]c2C(C)C)C1 ZINC000843998938 632092121 /nfs/dbraw/zinc/09/21/21/632092121.db2.gz JQTQIWGMTUHHBH-ZDUSSCGKSA-N 0 1 273.380 2.717 20 30 CFEDMN C#CC[C@@H]1CCCN(C(=O)c2cc(-c3ccccc3)[nH]n2)C1 ZINC000844003645 632093772 /nfs/dbraw/zinc/09/37/72/632093772.db2.gz RCUHWNHMXDWWAS-CQSZACIVSA-N 0 1 293.370 2.952 20 30 CFEDMN CC(C)(C)c1ncc(C=NNc2ccc(Cl)nn2)cn1 ZINC000814698053 632110746 /nfs/dbraw/zinc/11/07/46/632110746.db2.gz OBYXHCKXISZGCQ-UHFFFAOYSA-N 0 1 290.758 2.664 20 30 CFEDMN C#CCOCSc1nc(C=Cc2ccc(C)o2)n[nH]1 ZINC000814738531 632116297 /nfs/dbraw/zinc/11/62/97/632116297.db2.gz CFDZSHJQJQAWDD-SREVYHEPSA-N 0 1 275.333 2.576 20 30 CFEDMN Cc1nocc1C=NNc1nc2cc(F)c(F)cc2[nH]1 ZINC000814796277 632125116 /nfs/dbraw/zinc/12/51/16/632125116.db2.gz RKDDJPDKUZCKRB-UHFFFAOYSA-N 0 1 277.234 2.584 20 30 CFEDMN Cc1nocc1C=N[N-]c1[nH]c2cc(F)c(F)cc2[nH+]1 ZINC000814796277 632125119 /nfs/dbraw/zinc/12/51/19/632125119.db2.gz RKDDJPDKUZCKRB-UHFFFAOYSA-N 0 1 277.234 2.584 20 30 CFEDMN CC(=NNc1ccc(Cl)cc1[N+](=O)[O-])c1csnn1 ZINC000814809790 632129550 /nfs/dbraw/zinc/12/95/50/632129550.db2.gz NHDBDLZZEJOGAQ-UHFFFAOYSA-N 0 1 297.727 2.936 20 30 CFEDMN OCc1ccc(O)c(C=NNc2nccc3sccc32)c1 ZINC000814809244 632129685 /nfs/dbraw/zinc/12/96/85/632129685.db2.gz SUUHOVPSOMJVSW-UHFFFAOYSA-N 0 1 299.355 2.940 20 30 CFEDMN CC(C)(C)[C@@H]1CC(=NNCCN2CCCCC2)CS1 ZINC000814808813 632129915 /nfs/dbraw/zinc/12/99/15/632129915.db2.gz SUKPTPSXWHJTAT-AWEZNQCLSA-N 0 1 283.485 2.970 20 30 CFEDMN C=C(Br)CNCc1ccc(N(C)C)cc1 ZINC000105453833 632132457 /nfs/dbraw/zinc/13/24/57/632132457.db2.gz QBSMZQKWOUOAMT-UHFFFAOYSA-N 0 1 269.186 2.751 20 30 CFEDMN C=C(Br)CNCc1ccc(O[C@@H](C)C#N)cc1 ZINC000105453120 632134981 /nfs/dbraw/zinc/13/49/81/632134981.db2.gz HVAYCSZVLLXGIG-NSHDSACASA-N 0 1 295.180 2.976 20 30 CFEDMN Cc1ccc(N=NC2CC(C)(C)Oc3ccc(N)cc32)nn1 ZINC000814840995 632136437 /nfs/dbraw/zinc/13/64/37/632136437.db2.gz XBSOYNFBDFOQPG-UHFFFAOYSA-N 0 1 297.362 2.745 20 30 CFEDMN CC(C)C[N@@H+](C)CCC/N=C/c1cc([N+](=O)[O-])ccc1[O-] ZINC000844269777 632149755 /nfs/dbraw/zinc/14/97/55/632149755.db2.gz DLYIIPACEXGSFS-MHWRWJLKSA-N 0 1 293.367 2.697 20 30 CFEDMN Cn1ncc(CN=Nc2cc(Cl)ccn2)c1Cl ZINC000814897920 632153970 /nfs/dbraw/zinc/15/39/70/632153970.db2.gz GSWARHBBCXQYHW-UHFFFAOYSA-N 0 1 270.123 2.568 20 30 CFEDMN COc1cccc(N=NC2COc3ccc(Cl)cc32)n1 ZINC000814900023 632155081 /nfs/dbraw/zinc/15/50/81/632155081.db2.gz ACVBHCQGYXDYCR-UHFFFAOYSA-N 0 1 289.722 2.952 20 30 CFEDMN Cn1ccc(C=NNc2c(F)cccc2Cl)n1 ZINC000814905389 632158117 /nfs/dbraw/zinc/15/81/17/632158117.db2.gz WGZFYWTUBHWCQO-UHFFFAOYSA-N 0 1 252.680 2.659 20 30 CFEDMN CCOCCON=Cc1cc(Cl)c(F)cc1O ZINC000814907656 632159007 /nfs/dbraw/zinc/15/90/07/632159007.db2.gz SQBACXABXUAXPK-UHFFFAOYSA-N 0 1 261.680 2.572 20 30 CFEDMN Oc1cc(F)c(Cl)cc1C=NOC[C@@H]1CCOC1 ZINC000814912190 632161577 /nfs/dbraw/zinc/16/15/77/632161577.db2.gz LQBBMCXJEIABFY-MRVPVSSYSA-N 0 1 273.691 2.572 20 30 CFEDMN CCC(=NN[C@H](CO)c1ccccc1)c1cccc(N)c1 ZINC000814919095 632164221 /nfs/dbraw/zinc/16/42/21/632164221.db2.gz GXPZEPJNCUURJU-QGZVFWFLSA-N 0 1 283.375 2.706 20 30 CFEDMN Cn1ccnc1NN=C1CC(C)(C)Oc2ccc(O)cc21 ZINC000814919637 632165497 /nfs/dbraw/zinc/16/54/97/632165497.db2.gz WFSVDZIETJCVFL-UHFFFAOYSA-N 0 1 286.335 2.503 20 30 CFEDMN c1cc2c3c(c1)C(=NNCCc1ccncc1)CC[C@@H]3CN2 ZINC000814925098 632166980 /nfs/dbraw/zinc/16/69/80/632166980.db2.gz QAYGALZDBULJAO-CQSZACIVSA-N 0 1 292.386 2.921 20 30 CFEDMN C[C@@H]1C(N=Nc2cncnc2)CCCN1Cc1ccccc1 ZINC000814926803 632167939 /nfs/dbraw/zinc/16/79/39/632167939.db2.gz KNCYYUYUWGIHSR-CQSZACIVSA-N 0 1 295.390 2.929 20 30 CFEDMN Nc1nc2c(s1)C(N=Nc1cccc(Cl)n1)CCC2 ZINC000814939335 632175097 /nfs/dbraw/zinc/17/50/97/632175097.db2.gz NJGOHQGGMYFIAQ-UHFFFAOYSA-N 0 1 293.783 2.926 20 30 CFEDMN Clc1cccc(NN=C2COc3ccccc32)n1 ZINC000814939526 632175369 /nfs/dbraw/zinc/17/53/69/632175369.db2.gz TUHCKLUJBGKIGY-UHFFFAOYSA-N 0 1 259.696 2.944 20 30 CFEDMN C#CCCCN1CCN(c2cc(OC)ccc2Cl)CC1 ZINC000844351619 632176463 /nfs/dbraw/zinc/17/64/63/632176463.db2.gz LYQNHRBGOFZPAP-UHFFFAOYSA-N 0 1 292.810 2.884 20 30 CFEDMN COCc1nc(Cl)cc(NN=C(C)c2ccoc2)n1 ZINC000814976899 632183057 /nfs/dbraw/zinc/18/30/57/632183057.db2.gz ONQMPVHFRJTPCJ-UHFFFAOYSA-N 0 1 280.715 2.706 20 30 CFEDMN Cn1nncc1NN=C1CCCc2c(Cl)cccc21 ZINC000814983947 632185154 /nfs/dbraw/zinc/18/51/54/632185154.db2.gz QPIVZTFAJMZRLD-UHFFFAOYSA-N 0 1 275.743 2.621 20 30 CFEDMN CCCCOc1ccc(C(C)=NNc2cnnn2C)cc1 ZINC000814982495 632185527 /nfs/dbraw/zinc/18/55/27/632185527.db2.gz CBVQJTUHICMCNG-UHFFFAOYSA-N 0 1 287.367 2.830 20 30 CFEDMN CC(C)(C)c1[nH]ncc1C(=O)Nc1cccc(OCC#N)c1 ZINC000815038954 632190942 /nfs/dbraw/zinc/19/09/42/632190942.db2.gz PGNGGVKJLBIVSI-UHFFFAOYSA-N 0 1 298.346 2.862 20 30 CFEDMN CC(C)CC(=NNC1=NC[C@@H](C)N1)c1ccc(F)cc1 ZINC000844589945 632256532 /nfs/dbraw/zinc/25/65/32/632256532.db2.gz MBYJXHHVXWPZBG-LLVKDONJSA-N 0 1 276.359 2.513 20 30 CFEDMN CC[N@H+]1CCC(N=Nc2cccc(C(=O)[O-])c2C)[C@H](C)C1 ZINC000844624522 632267901 /nfs/dbraw/zinc/26/79/01/632267901.db2.gz QTAKUNCVBSJBFF-LLVKDONJSA-N 0 1 289.379 2.823 20 30 CFEDMN C=CCOCCSCc1cc(O)ccc1[N+](=O)[O-] ZINC000844645087 632273871 /nfs/dbraw/zinc/27/38/71/632273871.db2.gz PWRHQSSASLAPBA-UHFFFAOYSA-N 0 1 269.322 2.736 20 30 CFEDMN C=C(C)COC(=O)[C@@H]1CCCCN1C1CCCC1 ZINC000815446498 632276776 /nfs/dbraw/zinc/27/67/76/632276776.db2.gz XLUSQHRVXCSSEF-AWEZNQCLSA-N 0 1 251.370 2.903 20 30 CFEDMN CCCCCCCN[C@H](c1nnc[nH]1)c1cccnc1 ZINC000815601042 632296723 /nfs/dbraw/zinc/29/67/23/632296723.db2.gz LZBCVNCXXRRYDC-AWEZNQCLSA-N 0 1 273.384 2.849 20 30 CFEDMN C=CCC(F)(F)C(=O)NCc1nc2ccc(F)cc2[nH]1 ZINC000815730278 632316027 /nfs/dbraw/zinc/31/60/27/632316027.db2.gz CCXOAUVUOVQUNR-UHFFFAOYSA-N 0 1 283.253 2.530 20 30 CFEDMN CCc1ccc(C#CC(=O)N2C[C@@H](C)N(CC)C[C@H]2C)cc1 ZINC000815892290 632329738 /nfs/dbraw/zinc/32/97/38/632329738.db2.gz LWQADOFBEARHLO-HZPDHXFCSA-N 0 1 298.430 2.542 20 30 CFEDMN CCCCCCNC(=O)C(C#N)C(=O)[C@@H](C)C(C)(F)F ZINC000815904872 632331421 /nfs/dbraw/zinc/33/14/21/632331421.db2.gz SEPXYNXWEZLKDF-MNOVXSKESA-N 0 1 288.338 2.683 20 30 CFEDMN N#CC(C(=O)Nc1ccccc1)C(=O)c1ncoc1C1CC1 ZINC000815907657 632332586 /nfs/dbraw/zinc/33/25/86/632332586.db2.gz HAMXFQPQBIAAIQ-GFCCVEGCSA-N 0 1 295.298 2.513 20 30 CFEDMN Cc1cccc(NC(=O)C(C#N)C(=O)[C@H](C)C(C)(F)F)c1 ZINC000815907904 632332594 /nfs/dbraw/zinc/33/25/94/632332594.db2.gz NOTGBLCBYJXBGU-JQWIXIFHSA-N 0 1 294.301 2.934 20 30 CFEDMN CC[C@H](CC(=O)[C@@H](C#N)C(=O)NC1CCCC1)C(C)C ZINC000105759323 632363405 /nfs/dbraw/zinc/36/34/05/632363405.db2.gz SJUAVKLQNISYIB-TZMCWYRMSA-N 0 1 278.396 2.826 20 30 CFEDMN C[C@H]1CC[C@H](C(=O)C(C#N)C(=O)NC2CCCCC2)CC1 ZINC000845441736 632436044 /nfs/dbraw/zinc/43/60/44/632436044.db2.gz SHGQQVXDQGXAOI-YDHLFZDLSA-N 0 1 290.407 2.970 20 30 CFEDMN C[C@H]1CC[C@H](C(=O)C(C#N)C(=O)NCc2ccccc2)CC1 ZINC000845440554 632436348 /nfs/dbraw/zinc/43/63/48/632436348.db2.gz HIDVQFHEWVNXOY-BPUTZDHNSA-N 0 1 298.386 2.838 20 30 CFEDMN C#CCN1CCC[C@@H]1COC(=O)c1cc[nH]c1C1CCC1 ZINC000845461969 632439810 /nfs/dbraw/zinc/43/98/10/632439810.db2.gz QYGGXQXLHGGBRI-CQSZACIVSA-N 0 1 286.375 2.537 20 30 CFEDMN CC[C@H](C#N)C(=O)N[C@@H](C)c1nc2ccc(Cl)cc2[nH]1 ZINC000845490093 632447241 /nfs/dbraw/zinc/44/72/41/632447241.db2.gz KPPYKFAIVWAHQI-DTWKUNHWSA-N 0 1 290.754 2.943 20 30 CFEDMN C#Cc1cccc(NC(=O)[C@@H]2C[C@@H](C)Cc3cn[nH]c32)c1 ZINC000816838440 632529152 /nfs/dbraw/zinc/52/91/52/632529152.db2.gz BGHCYAYYQVSNSS-XHDPSFHLSA-N 0 1 279.343 2.696 20 30 CFEDMN CS[C@H](C)C(O)=C(C#N)C(=O)C1(c2ccccc2)CC1 ZINC000845839509 632577545 /nfs/dbraw/zinc/57/75/45/632577545.db2.gz UYGJHBQJXVSDOP-DGCLKSJQSA-N 0 1 287.384 2.748 20 30 CFEDMN C[C@@H]1C[C@@H]1C(=O)C(C#N)=C(O)C1(c2ccccc2)CC1 ZINC000845843024 632578464 /nfs/dbraw/zinc/57/84/64/632578464.db2.gz XAOGOPPPGGQVHI-XBFCOCLRSA-N 0 1 267.328 2.652 20 30 CFEDMN COC[C@@H](C)CC(=O)C(C#N)=C(O)C1(c2ccccc2)CC1 ZINC000845841054 632578500 /nfs/dbraw/zinc/57/85/00/632578500.db2.gz JKDZZEXUULQJOG-ZFWWWQNUSA-N 0 1 299.370 2.669 20 30 CFEDMN Cc1nc2c(F)cccc2cc1C(=O)NC1=NO[C@H](C)C1 ZINC000845901048 632595424 /nfs/dbraw/zinc/59/54/24/632595424.db2.gz XRFDHHLQRISTHP-MRVPVSSYSA-N 0 1 287.294 2.534 20 30 CFEDMN C#C[C@H](NCc1cc(F)c(OC)cc1OC)C(C)C ZINC000845972861 632606726 /nfs/dbraw/zinc/60/67/26/632606726.db2.gz PXZSXVDLECTJMN-ZDUSSCGKSA-N 0 1 265.328 2.590 20 30 CFEDMN C#CCOc1ccc(CN2C[C@@H](C)OCC23CCC3)cc1 ZINC000846067358 632628442 /nfs/dbraw/zinc/62/84/42/632628442.db2.gz QFDZGSWHHHMANK-OAHLLOKOSA-N 0 1 285.387 2.842 20 30 CFEDMN C=CC[N@H+](CC[C@@H](C)OCc1ccccc1)CC(=O)[O-] ZINC000846263345 632676715 /nfs/dbraw/zinc/67/67/15/632676715.db2.gz IUJHLWRAEVWABK-CQSZACIVSA-N 0 1 277.364 2.554 20 30 CFEDMN Cc1cc(C(C#N)C(=O)[C@@H]2CC[C@@H]3C[C@@H]3C2)nc(C)n1 ZINC000817713301 632690446 /nfs/dbraw/zinc/69/04/46/632690446.db2.gz BIWFEQSXGRQOAW-SYQHCUMBSA-N 0 1 269.348 2.706 20 30 CFEDMN CC#CC(=O)N1C[C@H](C)N(Cc2ccccc2)[C@@H](C)[C@@H]1C ZINC000846344863 632693268 /nfs/dbraw/zinc/69/32/68/632693268.db2.gz DEIFTWQQEADVCP-JYJNAYRXSA-N 0 1 284.403 2.520 20 30 CFEDMN C=C(C)CO[N-]C(=O)[C@H](c1cccc(Cl)c1)[NH+](C)C ZINC000846537763 632726774 /nfs/dbraw/zinc/72/67/74/632726774.db2.gz CSMWYYAEMCQHRO-ZDUSSCGKSA-N 0 1 282.771 2.567 20 30 CFEDMN C=C[C@@H](C)O[N-]C(=O)[C@H]1CCCC[N@H+]1Cc1ccccc1 ZINC000846547467 632735137 /nfs/dbraw/zinc/73/51/37/632735137.db2.gz OOCNKPIEASHOMM-GDBMZVCRSA-N 0 1 288.391 2.663 20 30 CFEDMN C=C[C@H](C)ONC(=O)[C@H](C)[C@@H]1OCCc2sccc21 ZINC000846552441 632739617 /nfs/dbraw/zinc/73/96/17/632739617.db2.gz HSPBQZWPHKNMAF-CWSCBRNRSA-N 0 1 281.377 2.620 20 30 CFEDMN C=C[C@@H](C)ONC(=O)C(C)(C)c1cc(F)cc(C#N)c1 ZINC000846552781 632740639 /nfs/dbraw/zinc/74/06/39/632740639.db2.gz PPDZLMAGQVFTHM-SNVBAGLBSA-N 0 1 276.311 2.597 20 30 CFEDMN Cc1cc(C#N)ccc1NCCCN1C[C@@H](C)O[C@@H](C)C1 ZINC000846745838 632782065 /nfs/dbraw/zinc/78/20/65/632782065.db2.gz QKNOZCIUIODSKY-GASCZTMLSA-N 0 1 287.407 2.778 20 30 CFEDMN CCN(Cc1ccc(C#N)cn1)C[C@H](O)c1ccc(C)cc1 ZINC000846807369 632803689 /nfs/dbraw/zinc/80/36/89/632803689.db2.gz CJOYXEPTTBPOMN-SFHVURJKSA-N 0 1 295.386 2.817 20 30 CFEDMN N#Cc1ccc(CN2CCC[C@H]2C[C@@H](O)c2ccco2)nc1 ZINC000846816450 632808987 /nfs/dbraw/zinc/80/89/87/632808987.db2.gz WQXAWQLAMVOXIL-JKSUJKDBSA-N 0 1 297.358 2.634 20 30 CFEDMN C#Cc1cccc(CNCc2cncn2C(C)C)c1 ZINC000818216592 632814768 /nfs/dbraw/zinc/81/47/68/632814768.db2.gz XAKNFDGGAWHONZ-UHFFFAOYSA-N 0 1 253.349 2.735 20 30 CFEDMN CC(C)c1nn(C)c(Cl)c1CN[C@@H]1CC[C@H](C#N)C1 ZINC000818231769 632817866 /nfs/dbraw/zinc/81/78/66/632817866.db2.gz YCJREMZUHBEWQU-WDEREUQCSA-N 0 1 280.803 2.979 20 30 CFEDMN C#C[C@@H]1CCCN([C@H](C)C(=O)N[C@H](C)c2ccccc2C)C1 ZINC000847021892 632887714 /nfs/dbraw/zinc/88/77/14/632887714.db2.gz CTFJDORSYDJBOM-BRWVUGGUSA-N 0 1 298.430 2.906 20 30 CFEDMN C#C[C@@H]1CCCN(CC(=O)N[C@@H](CCC)c2ccccc2)C1 ZINC000847024898 632890513 /nfs/dbraw/zinc/89/05/13/632890513.db2.gz AGDZPDCGLDABEY-AEFFLSMTSA-N 0 1 298.430 2.989 20 30 CFEDMN C#CCCCN[C@H](Cc1ccccc1)c1ncco1 ZINC000847095903 632918724 /nfs/dbraw/zinc/91/87/24/632918724.db2.gz KGINMJGTMSGZPW-OAHLLOKOSA-N 0 1 254.333 2.961 20 30 CFEDMN CC(C)(C#N)CNC[C@H](O)c1cccc(Cl)c1 ZINC000819218806 633023591 /nfs/dbraw/zinc/02/35/91/633023591.db2.gz KTCDJEHRJWHTGP-LBPRGKRZSA-N 0 1 252.745 2.513 20 30 CFEDMN C#CCCC[C@@H](C)OC(=O)c1ccc2cncn2c1 ZINC000847866107 633116843 /nfs/dbraw/zinc/11/68/43/633116843.db2.gz KMDFMWFJPGJTOJ-GFCCVEGCSA-N 0 1 256.305 2.683 20 30 CFEDMN Fc1cccc(CNN=C2CCCN3CCCC[C@@H]23)c1 ZINC000848402825 633249366 /nfs/dbraw/zinc/24/93/66/633249366.db2.gz IJXYLXNOTWMANM-INIZCTEOSA-N 0 1 275.371 2.920 20 30 CFEDMN N#Cc1ccc(CNN=C2CCCN3CCCC[C@H]23)cc1 ZINC000848406139 633250245 /nfs/dbraw/zinc/25/02/45/633250245.db2.gz BLCXQTJBIKDMQE-QGZVFWFLSA-N 0 1 282.391 2.652 20 30 CFEDMN Cc1cc2c(c(C)c1)C(=NNC1=N[C@H]3CCCC[C@@H]3N1)CC2 ZINC000848407476 633250361 /nfs/dbraw/zinc/25/03/61/633250361.db2.gz PZGPAFJVYFJJPJ-GJZGRUSLSA-N 0 1 296.418 2.814 20 30 CFEDMN C=CCOc1ccc(CNCc2cnc(Cl)n2C)cc1 ZINC000848553200 633287805 /nfs/dbraw/zinc/28/78/05/633287805.db2.gz IMQJHZNEEVCSOH-UHFFFAOYSA-N 0 1 291.782 2.928 20 30 CFEDMN C#C[C@H](NCc1cc(C(=O)OC)oc1C)C(C)(C)C ZINC000848912806 633397977 /nfs/dbraw/zinc/39/79/77/633397977.db2.gz WMVMUFRJUZRZJA-ZDUSSCGKSA-N 0 1 263.337 2.512 20 30 CFEDMN C#C[C@@H]1CCCN(Cc2cc(OC)ccc2OCOC)C1 ZINC000848923166 633404707 /nfs/dbraw/zinc/40/47/07/633404707.db2.gz AETIMQBCTJHXPO-CQSZACIVSA-N 0 1 289.375 2.523 20 30 CFEDMN C#C[C@@H]1CCCN(Cc2cccc(OC)c2OC)C1 ZINC000848923034 633404819 /nfs/dbraw/zinc/40/48/19/633404819.db2.gz CRCGPNLLKYDUNX-CYBMUJFWSA-N 0 1 259.349 2.549 20 30 CFEDMN C#C[C@H]1CCCN(Cc2cc(OC)cc3c2O[C@H](C)C3)C1 ZINC000848923180 633405215 /nfs/dbraw/zinc/40/52/15/633405215.db2.gz ALWQWVKVEPWRHW-KGLIPLIRSA-N 0 1 285.387 2.864 20 30 CFEDMN C#C[C@@H]1CCCN(Cc2cc(OC)c(OC)cc2OC)C1 ZINC000848923572 633406650 /nfs/dbraw/zinc/40/66/50/633406650.db2.gz NKHVGEOOIIBOCC-CYBMUJFWSA-N 0 1 289.375 2.558 20 30 CFEDMN C#C[C@H]1CCCN(Cc2ccnn2-c2ccccc2)C1 ZINC000848924570 633407195 /nfs/dbraw/zinc/40/71/95/633407195.db2.gz VQEJONYBBDEEAR-HNNXBMFYSA-N 0 1 265.360 2.718 20 30 CFEDMN C#C[C@@H]1CCCN(Cc2cnn(-c3ccc(OC)cc3)c2)C1 ZINC000848924523 633408079 /nfs/dbraw/zinc/40/80/79/633408079.db2.gz UTHVILCPFNLQBR-OAHLLOKOSA-N 0 1 295.386 2.726 20 30 CFEDMN N#CCC1CN(C[C@H](O)c2cccc3ccccc32)C1 ZINC000849326369 633618773 /nfs/dbraw/zinc/61/87/73/633618773.db2.gz HWZMSCBWZHZOBL-KRWDZBQOSA-N 0 1 266.344 2.719 20 30 CFEDMN C#CC[C@@H]1CCC[N@H+]([C@H](C(=O)[O-])c2ccccc2)C1 ZINC000849344090 633623157 /nfs/dbraw/zinc/62/31/57/633623157.db2.gz BINDFKXFSOEAMY-HIFRSBDPSA-N 0 1 257.333 2.548 20 30 CFEDMN CCc1nc([C@@H](C)OC(=O)C=Cc2ccccc2C#N)n[nH]1 ZINC000849673247 633666520 /nfs/dbraw/zinc/66/65/20/633666520.db2.gz RRAWJYAYEDJJNJ-TYBABMIJSA-N 0 1 296.330 2.556 20 30 CFEDMN CCc1nc([C@H](C)OC(=O)C=Cc2ccccc2C#N)n[nH]1 ZINC000849673145 633666684 /nfs/dbraw/zinc/66/66/84/633666684.db2.gz RRAWJYAYEDJJNJ-FBOQAHMBSA-N 0 1 296.330 2.556 20 30 CFEDMN N#Cc1cccc(C2(NCc3ccoc3)CCOCC2)c1 ZINC000850384133 633970254 /nfs/dbraw/zinc/97/02/54/633970254.db2.gz OHCFOZPJTMXZGP-UHFFFAOYSA-N 0 1 282.343 2.947 20 30 CFEDMN N#C[C@H]1CC[C@@H]([NH2+]Cc2c([O-])cccc2Br)C1 ZINC000858183139 636149994 /nfs/dbraw/zinc/14/99/94/636149994.db2.gz UZDLOLIOZOLURR-VHSXEESVSA-N 0 1 295.180 2.937 20 30 CFEDMN C=CCCCCC[C@H](C)NCc1nc(C(N)=O)cs1 ZINC000850540224 634043625 /nfs/dbraw/zinc/04/36/25/634043625.db2.gz JWVWBCGKXFKGFY-NSHDSACASA-N 0 1 281.425 2.857 20 30 CFEDMN CC1(C)CC(C(=O)C(C#N)C(=O)NC2CC2)CC(C)(C)C1 ZINC000850760312 634081727 /nfs/dbraw/zinc/08/17/27/634081727.db2.gz XMKJCLQJEYEDLR-ZDUSSCGKSA-N 0 1 290.407 2.826 20 30 CFEDMN N#CC(C(=O)Nc1ccccn1)C(=O)[C@H]1CCCC2(CC2)C1 ZINC000850781709 634091017 /nfs/dbraw/zinc/09/10/17/634091017.db2.gz CILVRDBCYKJJKK-STQMWFEESA-N 0 1 297.358 2.699 20 30 CFEDMN C#CCN1CCC[C@H]1COC(=O)[C@@H]1CCCC2(CC2)C1 ZINC000850825648 634104158 /nfs/dbraw/zinc/10/41/58/634104158.db2.gz DCVMEYFLYCHDLT-CABCVRRESA-N 0 1 275.392 2.598 20 30 CFEDMN N#C[C@H](C(=O)CC1(C#N)CCCCC1)c1ccncn1 ZINC000850947554 634148742 /nfs/dbraw/zinc/14/87/42/634148742.db2.gz IHYDBRIFGPKTAA-LBPRGKRZSA-N 0 1 268.320 2.517 20 30 CFEDMN N#C[C@H](C(=O)C1[C@H]2CCCCCC[C@H]12)c1ccncn1 ZINC000850947101 634149078 /nfs/dbraw/zinc/14/90/78/634149078.db2.gz CTYRZOLLGWWJFI-AVGNSLFASA-N 0 1 269.348 2.869 20 30 CFEDMN C=CC(C)(C)CCOC(=O)CCCCc1cn[nH]n1 ZINC000851299981 634311212 /nfs/dbraw/zinc/31/12/12/634311212.db2.gz HSISTCHXFKDOBF-UHFFFAOYSA-N 0 1 265.357 2.663 20 30 CFEDMN C=C[C@@H](OC(=O)CCCCc1cn[nH]n1)c1ccccc1 ZINC000851451806 634368055 /nfs/dbraw/zinc/36/80/55/634368055.db2.gz MGDAYCZYUAUMHZ-OAHLLOKOSA-N 0 1 285.347 2.988 20 30 CFEDMN Cc1ncc(C=NNc2ccc(C(F)(F)F)cn2)n1C ZINC000853262753 634954586 /nfs/dbraw/zinc/95/45/86/634954586.db2.gz JCLQYOWKPPWAAA-UHFFFAOYSA-N 0 1 283.257 2.588 20 30 CFEDMN Cn1ccnc1NN=Cc1cccc(OC2CC2)c1F ZINC000853339929 634975928 /nfs/dbraw/zinc/97/59/28/634975928.db2.gz GHXWHMQSJLDROO-UHFFFAOYSA-N 0 1 274.299 2.546 20 30 CFEDMN C[C@@H](NN=C1C(=O)Nc2cc(O)c(Cl)cc21)C(C)(C)C ZINC000853349723 634979937 /nfs/dbraw/zinc/97/99/37/634979937.db2.gz GNEXZALUANZEIJ-SSDOTTSWSA-N 0 1 295.770 2.726 20 30 CFEDMN C[C@H]1CCCCN1N=Cc1cc(-c2cccnc2)[nH]n1 ZINC000853381258 634988277 /nfs/dbraw/zinc/98/82/77/634988277.db2.gz YWSJIIZYLLSFTN-LBPRGKRZSA-N 0 1 269.352 2.680 20 30 CFEDMN CCC(=NNc1ccnc(Cl)c1)c1nccn1C ZINC000853395323 634992041 /nfs/dbraw/zinc/99/20/41/634992041.db2.gz SVFJMBPAIAGPHO-UHFFFAOYSA-N 0 1 263.732 2.695 20 30 CFEDMN CC(C)c1nc(C(C)N=Nc2ccncc2F)co1 ZINC000853401864 634994682 /nfs/dbraw/zinc/99/46/82/634994682.db2.gz GKKJUUPXGSCVQK-UHFFFAOYSA-N 0 1 262.288 2.590 20 30 CFEDMN CC(C)(C)c1cnc(C=NNc2ccncc2F)s1 ZINC000853402977 634995606 /nfs/dbraw/zinc/99/56/06/634995606.db2.gz OOQWLJCWKCZREV-UHFFFAOYSA-N 0 1 278.356 2.843 20 30 CFEDMN CC(C)(C)c1cnc(C=NN=c2cc[nH]cc2F)s1 ZINC000853402977 634995614 /nfs/dbraw/zinc/99/56/14/634995614.db2.gz OOQWLJCWKCZREV-UHFFFAOYSA-N 0 1 278.356 2.843 20 30 CFEDMN C[C@@H]1C[C@H]1c1ccc(CN=Nc2ccncc2F)o1 ZINC000853402405 634995656 /nfs/dbraw/zinc/99/56/56/634995656.db2.gz YIWUXHLOOMSUFA-MWLCHTKSSA-N 0 1 259.284 2.805 20 30 CFEDMN CCc1cccc2cc(C=NNc3nnc(C)n3C)oc21 ZINC000853431041 634997805 /nfs/dbraw/zinc/99/78/05/634997805.db2.gz OHCZAOCGWUPSKD-UHFFFAOYSA-N 0 1 283.335 2.878 20 30 CFEDMN C=CC[C@H]1CCCN(CN2C[C@@H](C(C)C)CC2=O)C1 ZINC000853536607 635030878 /nfs/dbraw/zinc/03/08/78/635030878.db2.gz FRLFJOXYRRWPBW-GJZGRUSLSA-N 0 1 264.413 2.737 20 30 CFEDMN C=C1C[C@H]2CC[C@@H](C1)N2CN1C(=O)C[C@](C)(C(C)C)C1=O ZINC000853598857 635045681 /nfs/dbraw/zinc/04/56/81/635045681.db2.gz XLEJINOQEHEQBI-JKIFEVAISA-N 0 1 290.407 2.548 20 30 CFEDMN C=C1C[C@H]2CC[C@@H](C1)N2CN1Cc2ccc(OC)cc2C1=O ZINC000853597711 635045794 /nfs/dbraw/zinc/04/57/94/635045794.db2.gz DNZOXRGTMFHWRG-GASCZTMLSA-N 0 1 298.386 2.792 20 30 CFEDMN C=C1C[C@H]2CC[C@@H](C1)N2CN1C[C@H](c2ccccn2)CC1=O ZINC000853598468 635046259 /nfs/dbraw/zinc/04/62/59/635046259.db2.gz RPGHXBJAXLUFTI-OAGGEKHMSA-N 0 1 297.402 2.538 20 30 CFEDMN C#CCOc1ccc(CNCc2cnc(C)s2)cc1 ZINC000113336002 635553401 /nfs/dbraw/zinc/55/34/01/635553401.db2.gz XCVUIDSYHAYRIS-UHFFFAOYSA-N 0 1 272.373 2.753 20 30 CFEDMN C=CCCONC(=O)[C@@H]1CCSc2ccccc21 ZINC000856032685 635708008 /nfs/dbraw/zinc/70/80/08/635708008.db2.gz SLPZRRUMJQHVAO-GFCCVEGCSA-N 0 1 263.362 2.890 20 30 CFEDMN CC[C@H](C#N)Oc1cccc(CNC(=O)C(F)(F)F)c1 ZINC000113919509 635721650 /nfs/dbraw/zinc/72/16/50/635721650.db2.gz MSXGWKDSHFSKFR-SNVBAGLBSA-N 0 1 286.253 2.546 20 30 CFEDMN CC[C@@H](C#N)Oc1cccc(CNCc2cnn(CC)c2)c1 ZINC000113960848 635748090 /nfs/dbraw/zinc/74/80/90/635748090.db2.gz VJIHHASVDMBEPI-INIZCTEOSA-N 0 1 298.390 2.874 20 30 CFEDMN C#CCN(Cc1cncc(OCC)c1)C1CCCC1 ZINC000857024399 635909279 /nfs/dbraw/zinc/90/92/79/635909279.db2.gz GSJYRROIEZPEHM-UHFFFAOYSA-N 0 1 258.365 2.858 20 30 CFEDMN N#Cc1ccc2c(c1)CC[C@@H]2N[C@@H]1CCCc2c[nH]nc21 ZINC000857866741 636039937 /nfs/dbraw/zinc/03/99/37/636039937.db2.gz XSVVEHBHZXKJDL-JKSUJKDBSA-N 0 1 278.359 2.936 20 30 CFEDMN C#Cc1cccc(CN[C@@H]2CCCc3c[nH]nc32)c1 ZINC000857869568 636041008 /nfs/dbraw/zinc/04/10/08/636041008.db2.gz PYPDKJVSAWNQNJ-OAHLLOKOSA-N 0 1 251.333 2.558 20 30 CFEDMN C#CC[C@H](COC)NCc1nc2ccc(F)cc2s1 ZINC000858335235 636195775 /nfs/dbraw/zinc/19/57/75/636195775.db2.gz QFKZKPVFYFFJSK-LLVKDONJSA-N 0 1 278.352 2.563 20 30 CFEDMN C#CCCOC(=O)NC[C@H](c1ccc(Cl)cc1)N(C)C ZINC000859045953 636423972 /nfs/dbraw/zinc/42/39/72/636423972.db2.gz BZCSMHFWROMSER-CQSZACIVSA-N 0 1 294.782 2.692 20 30 CFEDMN C=CC[C@@H]1CCN(CC(=O)OCc2ccccc2)C1 ZINC000859444151 636565090 /nfs/dbraw/zinc/56/50/90/636565090.db2.gz FDYIYTLFJWUHRU-CQSZACIVSA-N 0 1 259.349 2.628 20 30 CFEDMN C=CC[C@H]1CCN(Cc2cnc(C3OCCO3)s2)C1 ZINC000859445309 636566175 /nfs/dbraw/zinc/56/61/75/636566175.db2.gz FQGUATUTLNSBCS-NSHDSACASA-N 0 1 280.393 2.587 20 30 CFEDMN C#CCCN1CCC[C@@]2(CC(=O)c3ccccc3O2)C1 ZINC000859581685 636608868 /nfs/dbraw/zinc/60/88/68/636608868.db2.gz QSGKEAMLURINTC-QGZVFWFLSA-N 0 1 269.344 2.510 20 30 CFEDMN C=CCN1CC[C@@H](NC(=O)c2ccc(C)c(Cl)c2)C1 ZINC001015651411 651207859 /nfs/dbraw/zinc/20/78/59/651207859.db2.gz HVSKCWOKJCZIIR-CYBMUJFWSA-N 0 1 278.783 2.639 20 30 CFEDMN O=C(/C=C/c1cccc(O)c1)c1ccc(O)cc1O ZINC000049046093 650285977 /nfs/dbraw/zinc/28/59/77/650285977.db2.gz WKMQGQZPDSFACZ-QPJJXVBHSA-N 0 1 256.257 2.700 20 30 CFEDMN C[C@H](CC(=O)C(C#N)C(=O)NC1CCCC1)c1ccco1 ZINC000860478275 636893691 /nfs/dbraw/zinc/89/36/91/636893691.db2.gz UISWBNMMLOYAGD-DGCLKSJQSA-N 0 1 288.347 2.541 20 30 CFEDMN CCCC[C@H](CC)CC(=O)C(C#N)C(=O)N1CCCC1 ZINC000117531893 636896072 /nfs/dbraw/zinc/89/60/72/636896072.db2.gz XBAYHUBRCXPMEJ-KBPBESRZSA-N 0 1 278.396 2.924 20 30 CFEDMN CCCC[C@@H](CC)CC(=O)C(C#N)C(=O)N1CCCC1 ZINC000117531890 636896254 /nfs/dbraw/zinc/89/62/54/636896254.db2.gz XBAYHUBRCXPMEJ-KGLIPLIRSA-N 0 1 278.396 2.924 20 30 CFEDMN CCO[C@H](C(=O)C(C#N)c1cnc2ccccc2n1)C1CC1 ZINC000860702636 636950859 /nfs/dbraw/zinc/95/08/59/636950859.db2.gz FIYROLAOIPEVMU-PXAZEXFGSA-N 0 1 295.342 2.621 20 30 CFEDMN C#C[C@@H](OC(=O)CCCCc1cn[nH]n1)c1ccc(C)cc1 ZINC000860963338 637033191 /nfs/dbraw/zinc/03/31/91/637033191.db2.gz UUZNBFHVFDEYMO-MRXNPFEDSA-N 0 1 297.358 2.744 20 30 CFEDMN N#CCc1ccc(NC(=O)Cc2n[nH]c3c2CCCC3)cc1 ZINC000188292150 650322282 /nfs/dbraw/zinc/32/22/82/650322282.db2.gz FCJMWNQSLZMBHS-UHFFFAOYSA-N 0 1 294.358 2.536 20 30 CFEDMN C=CCN(Cc1cccc(C(=O)OCC)n1)C(C)C ZINC000862225113 637291140 /nfs/dbraw/zinc/29/11/40/637291140.db2.gz XMNZXIHQLAWDTQ-UHFFFAOYSA-N 0 1 262.353 2.655 20 30 CFEDMN C#C[C@@H]1CCCN(Cc2ccc(F)c(F)c2N(C)C)C1 ZINC000862403138 637361580 /nfs/dbraw/zinc/36/15/80/637361580.db2.gz WEJVMHCKWZIJEU-GFCCVEGCSA-N 0 1 278.346 2.876 20 30 CFEDMN C#CC[C@H]1CCN(Cc2cc([N+](=O)[O-])ccc2OCC)C1 ZINC000862443517 637383102 /nfs/dbraw/zinc/38/31/02/637383102.db2.gz QHLRBZCAJINSFC-ZDUSSCGKSA-N 0 1 288.347 2.839 20 30 CFEDMN C#CC[C@@H]1CCN(Cc2nccn2Cc2ccccc2)C1 ZINC000862445573 637387894 /nfs/dbraw/zinc/38/78/94/637387894.db2.gz XGYFTNBPGQSAAW-MRXNPFEDSA-N 0 1 279.387 2.777 20 30 CFEDMN C#CC[C@H]1CCN(C(=O)[C@H](c2ccccc2)N(CC)CC)C1 ZINC000862566950 637432802 /nfs/dbraw/zinc/43/28/02/637432802.db2.gz WVOHSLFUAKHIPH-WMZOPIPTSA-N 0 1 298.430 2.941 20 30 CFEDMN C[C@H]1CN(C)CC1N=Nc1nc2ccccc2[nH]c1=S ZINC000863128673 637566951 /nfs/dbraw/zinc/56/69/51/637566951.db2.gz OOXSNOMWEFFVSK-VIFPVBQESA-N 0 1 287.392 2.642 20 30 CFEDMN COCCCOc1cccc(C=NNc2ccncc2C)c1 ZINC000863157804 637571222 /nfs/dbraw/zinc/57/12/22/637571222.db2.gz UTHMGCCXRYWUQJ-UHFFFAOYSA-N 0 1 299.374 2.673 20 30 CFEDMN COc1cccc2c1CCC2=NNc1ccncc1C ZINC000863157819 637571458 /nfs/dbraw/zinc/57/14/58/637571458.db2.gz VABHPMARQCXJEM-UHFFFAOYSA-N 0 1 267.332 2.583 20 30 CFEDMN COc1ccc2c(c1)C(=NNc1ccncc1C)CCCO2 ZINC000863157369 637571571 /nfs/dbraw/zinc/57/15/71/637571571.db2.gz LUINXRKNZJPQMD-UHFFFAOYSA-N 0 1 297.358 2.809 20 30 CFEDMN Cc1cnccc1NN=Cc1csc(C2CC2)n1 ZINC000863157794 637571830 /nfs/dbraw/zinc/57/18/30/637571830.db2.gz ULLOLCFZNQXXFJ-UHFFFAOYSA-N 0 1 258.350 2.592 20 30 CFEDMN COc1cc(C)ccc1C(C)=NNc1ccncc1C ZINC000863157350 637571975 /nfs/dbraw/zinc/57/19/75/637571975.db2.gz LFRYLUVYBMUMFY-UHFFFAOYSA-N 0 1 269.348 2.965 20 30 CFEDMN Cc1cccc2c1CCC2=NNc1ccncc1C ZINC000863157244 637572033 /nfs/dbraw/zinc/57/20/33/637572033.db2.gz KDTOFJFXBDPNMI-UHFFFAOYSA-N 0 1 251.333 2.883 20 30 CFEDMN C[C@@H]1CC(N=Nc2cccc(F)c2Cl)CN1C ZINC000863158498 637573008 /nfs/dbraw/zinc/57/30/08/637573008.db2.gz DNRCVGMPBKXHRT-MRVPVSSYSA-N 0 1 255.724 2.971 20 30 CFEDMN Cc1cccc(NN=Cc2cccc3c2OCCCO3)n1 ZINC000863161848 637575205 /nfs/dbraw/zinc/57/52/05/637575205.db2.gz KYZZKMQJSNVJLZ-UHFFFAOYSA-N 0 1 283.331 2.997 20 30 CFEDMN C#CC[C@@H]1CCCN(CN2C[C@H](c3ccccc3)OC2=O)C1 ZINC000863268755 637611378 /nfs/dbraw/zinc/61/13/78/637611378.db2.gz ISWLPEUWRRKTFK-NVXWUHKLSA-N 0 1 298.386 2.873 20 30 CFEDMN CCCc1cc(C(=O)N(C)CCc2cccc(C#N)c2)n[nH]1 ZINC000863433251 637657153 /nfs/dbraw/zinc/65/71/53/637657153.db2.gz RBYDDAXYWDMUJX-UHFFFAOYSA-N 0 1 296.374 2.549 20 30 CFEDMN C=CCN1CC[C@@H](NC(=O)c2ccc(Cl)c(Cl)c2)C1 ZINC001016079355 651224242 /nfs/dbraw/zinc/22/42/42/651224242.db2.gz DXDHAOUYBJEFHZ-LLVKDONJSA-N 0 1 299.201 2.984 20 30 CFEDMN O=C(/C=C\c1ccc([N+](=O)[O-])cc1)c1ccc(O)cc1O ZINC000205032079 638103819 /nfs/dbraw/zinc/10/38/19/638103819.db2.gz XRAHHIWSKGILGK-BAQGIRSFSA-N 0 1 285.255 2.902 20 30 CFEDMN CCCCCCCCCN(C)C(=O)[C@@H](O)c1c[nH]cn1 ZINC000864972382 638143449 /nfs/dbraw/zinc/14/34/49/638143449.db2.gz LKFCZRMBSFYKEG-AWEZNQCLSA-N 0 1 281.400 2.652 20 30 CFEDMN CC(C)n1cncc1CNc1nc2ccc(C#N)cc2[nH]1 ZINC000865296146 638262403 /nfs/dbraw/zinc/26/24/03/638262403.db2.gz RRJTZIHNHIGESF-UHFFFAOYSA-N 0 1 280.335 2.824 20 30 CFEDMN Cc1ncsc1CNCc1cc(C#N)ccc1N(C)C ZINC000865452992 638344160 /nfs/dbraw/zinc/34/41/60/638344160.db2.gz UNQGHLIQTPOIIS-UHFFFAOYSA-N 0 1 286.404 2.679 20 30 CFEDMN C#CCN(Cc1ccc(F)cc1)C[C@H]1CC[C@@H](C)O1 ZINC000190455779 650434613 /nfs/dbraw/zinc/43/46/13/650434613.db2.gz IAUISQCNSASYRN-CZUORRHYSA-N 0 1 261.340 2.828 20 30 CFEDMN N#Cc1csc(CNC2([C@@H]3CCCCO3)CCC2)n1 ZINC000865855866 638617139 /nfs/dbraw/zinc/61/71/39/638617139.db2.gz CGGNAHLYWZBZAM-LBPRGKRZSA-N 0 1 277.393 2.596 20 30 CFEDMN C[C@@H]([NH2+][C@H]1CCCc2c[nH]nc21)c1cccc(C#N)c1[O-] ZINC000866304935 638793282 /nfs/dbraw/zinc/79/32/82/638793282.db2.gz BTZRTLRYOKFASX-YGRLFVJLSA-N 0 1 282.347 2.715 20 30 CFEDMN C[C@@H](NC1(C(F)F)CC1)c1cccc(C#N)c1O ZINC000866354556 638803198 /nfs/dbraw/zinc/80/31/98/638803198.db2.gz PCRGIFRSIRTHJX-MRVPVSSYSA-N 0 1 252.264 2.712 20 30 CFEDMN C#CCOc1ccc([C@@H](C)N[C@H](C)c2ccnn2C)cc1 ZINC000866612444 638854475 /nfs/dbraw/zinc/85/44/75/638854475.db2.gz IYWPLJLDUWATOJ-ZIAGYGMSSA-N 0 1 283.375 2.844 20 30 CFEDMN N#C[C@@H]1CC[C@H](NCc2noc3cc(F)ccc32)C1 ZINC000866614005 638854629 /nfs/dbraw/zinc/85/46/29/638854629.db2.gz WNODMGXIVGVKKY-KOLCDFICSA-N 0 1 259.284 2.749 20 30 CFEDMN C[C@H](C(=O)C(C#N)C(=O)NC1CCCC1)c1cccs1 ZINC000121837372 638898367 /nfs/dbraw/zinc/89/83/67/638898367.db2.gz WIPJIMANWWRNMF-JQWIXIFHSA-N 0 1 290.388 2.619 20 30 CFEDMN C[C@H](N(C)C(=O)[C@H]1NCCc2cc(C#N)ccc21)C(C)(C)C ZINC000867948348 638908211 /nfs/dbraw/zinc/90/82/11/638908211.db2.gz TYKGMRSCHZEELK-LRDDRELGSA-N 0 1 299.418 2.638 20 30 CFEDMN CC(C)N(C(=O)[C@@H]1NCCc2cc(C#N)ccc21)C1CCC1 ZINC000867954160 638908427 /nfs/dbraw/zinc/90/84/27/638908427.db2.gz IGOFJRPOACUVLL-QGZVFWFLSA-N 0 1 297.402 2.535 20 30 CFEDMN C=C[C@@H](C)ONC(=O)[C@@H]1Cc2ccc(Cl)cc21 ZINC000869154500 639050874 /nfs/dbraw/zinc/05/08/74/639050874.db2.gz UAQZWDMAZIKDSD-PRHODGIISA-N 0 1 251.713 2.602 20 30 CFEDMN N#Cc1cc(C(=O)O[C@H]2CCN(Cc3ccccc3)C2)co1 ZINC000870007134 639496070 /nfs/dbraw/zinc/49/60/70/639496070.db2.gz JEEJWUNKTLYDMO-HNNXBMFYSA-N 0 1 296.326 2.583 20 30 CFEDMN Cc1cccc(NC(=O)C(C#N)C(=O)[C@@H]2C[C@@H]2[C@@H]2C[C@@H]2C)c1 ZINC000870136550 639528141 /nfs/dbraw/zinc/52/81/41/639528141.db2.gz LJWWESZSWMYUPJ-CWCFIDOXSA-N 0 1 296.370 2.935 20 30 CFEDMN CCc1ccc(NC(=O)C(C#N)C(=O)c2nocc2C)cc1 ZINC000870139842 639528709 /nfs/dbraw/zinc/52/87/09/639528709.db2.gz RMKSRHKKRHEJOU-ZDUSSCGKSA-N 0 1 297.314 2.507 20 30 CFEDMN Cc1ccc(N(CCC#N)C(=O)[C@@H](C)N2CCCC2)cc1 ZINC000078605660 650518814 /nfs/dbraw/zinc/51/88/14/650518814.db2.gz DQZOQOIMBJMJDS-OAHLLOKOSA-N 0 1 285.391 2.726 20 30 CFEDMN COCCC1(C(=O)NOc2cccc(C#N)c2)CCCC1 ZINC000870690657 639773458 /nfs/dbraw/zinc/77/34/58/639773458.db2.gz BUOUEKCBFRTTPZ-UHFFFAOYSA-N 0 1 288.347 2.565 20 30 CFEDMN N#Cc1ccc2nc(NC(=O)[C@@H]3CC=CCC3)[nH]c2c1 ZINC000871070300 641184553 /nfs/dbraw/zinc/18/45/53/641184553.db2.gz JMISSRZIZWVYJY-LLVKDONJSA-N 0 1 266.304 2.729 20 30 CFEDMN CC(C)(C)CC(=O)Nc1nc2ccc(C#N)cc2[nH]1 ZINC000871070257 641185022 /nfs/dbraw/zinc/18/50/22/641185022.db2.gz IDHGDNWBBVPBED-UHFFFAOYSA-N 0 1 256.309 2.809 20 30 CFEDMN N#Cc1ccc2nc(NC(=O)C3(C(F)F)CCC3)[nH]c2c1 ZINC000871072442 641186468 /nfs/dbraw/zinc/18/64/68/641186468.db2.gz RCJODOQJIWQIFV-UHFFFAOYSA-N 0 1 290.273 2.808 20 30 CFEDMN CC(C)[C@H]1C[C@@H]1C(=O)Nc1nc2ccc(C#N)cc2[nH]1 ZINC000871073263 641187250 /nfs/dbraw/zinc/18/72/50/641187250.db2.gz VJTAIDMYBWNLFT-MNOVXSKESA-N 0 1 268.320 2.665 20 30 CFEDMN CC(C)[C@@H]1C[C@H]1C(=O)Nc1nc2ccc(C#N)cc2[nH]1 ZINC000871073265 641188369 /nfs/dbraw/zinc/18/83/69/641188369.db2.gz VJTAIDMYBWNLFT-WDEREUQCSA-N 0 1 268.320 2.665 20 30 CFEDMN N#C[C@H]1CC[C@@H](NCc2nc(-c3ccncc3)cs2)C1 ZINC000872120671 641649786 /nfs/dbraw/zinc/64/97/86/641649786.db2.gz FJMJIUACDPQIDJ-WCQYABFASA-N 0 1 284.388 2.987 20 30 CFEDMN CC1(C)[C@H]2[C@H](CCCN2Cc2ccc(C#N)cc2F)[C@@H]1O ZINC000872256301 641720143 /nfs/dbraw/zinc/72/01/43/641720143.db2.gz RRXBHCLNZJKCGB-IMJJTQAJSA-N 0 1 288.366 2.679 20 30 CFEDMN C[C@H]1C(N=Nc2ccc(Cl)c(C(=O)[O-])c2)CC[N@H+]1C ZINC000872325291 641756641 /nfs/dbraw/zinc/75/66/41/641756641.db2.gz KYBUQHKNVCGTNQ-QMMMGPOBSA-N 0 1 281.743 2.530 20 30 CFEDMN Cc1ccc(NN=C2CCCc3ncccc32)nc1 ZINC000872347960 641761603 /nfs/dbraw/zinc/76/16/03/641761603.db2.gz JRTFCHAUJMRPRR-UHFFFAOYSA-N 0 1 252.321 2.938 20 30 CFEDMN C[C@H]1C(N=Nc2cc(F)c(F)cc2F)CCN1C ZINC000872352074 641763247 /nfs/dbraw/zinc/76/32/47/641763247.db2.gz CGJOENHRNIKSJX-ZETCQYMHSA-N 0 1 257.259 2.596 20 30 CFEDMN C[C@H]1C(N=Nc2cccc(C(F)(F)F)n2)CCN1C ZINC000872354324 641763882 /nfs/dbraw/zinc/76/38/82/641763882.db2.gz QKNNXRZXHGEVGF-QMMMGPOBSA-N 0 1 272.274 2.592 20 30 CFEDMN Oc1c(C=NNCCC(F)(F)F)ccc(F)c1F ZINC000872369761 641775388 /nfs/dbraw/zinc/77/53/88/641775388.db2.gz KJRVHPQBIZWDIT-UHFFFAOYSA-N 0 1 268.185 2.546 20 30 CFEDMN C[C@H]1C(N=Nc2ccc(F)c(F)c2F)CCN1C ZINC000872378595 641781789 /nfs/dbraw/zinc/78/17/89/641781789.db2.gz MNKYVJLOMZTYLA-ZETCQYMHSA-N 0 1 257.259 2.596 20 30 CFEDMN O=[N+]([O-])c1ccc(O)cc1C=NNC[C@H]1CCCC1(F)F ZINC000872405174 641793927 /nfs/dbraw/zinc/79/39/27/641793927.db2.gz HHWIPIRXAWNMEP-SNVBAGLBSA-N 0 1 299.277 2.659 20 30 CFEDMN CCOc1ccccc1C(C)N=Nc1cc(C)nc(N)n1 ZINC000872420386 641805801 /nfs/dbraw/zinc/80/58/01/641805801.db2.gz PXFPOWWVCZAEPS-UHFFFAOYSA-N 0 1 285.351 2.602 20 30 CFEDMN CC(C)c1cc([C@@H]2CCCN(c3ccc(C#N)nn3)C2)[nH]n1 ZINC000872649290 641886426 /nfs/dbraw/zinc/88/64/26/641886426.db2.gz WNYAFWDABMTUFY-GFCCVEGCSA-N 0 1 296.378 2.579 20 30 CFEDMN C=CCCNC(=O)N1CCC[C@H](c2cc(C(C)C)[nH]n2)C1 ZINC000873063728 641999195 /nfs/dbraw/zinc/99/91/95/641999195.db2.gz ZZHWNQMJRABUEW-ZDUSSCGKSA-N 0 1 290.411 2.998 20 30 CFEDMN C#Cc1cccc(N(C)C(=O)[C@H]2CCN2C2CCCC2)c1 ZINC000874342762 642371139 /nfs/dbraw/zinc/37/11/39/642371139.db2.gz JIQWJMUJCKJKLN-QGZVFWFLSA-N 0 1 282.387 2.648 20 30 CFEDMN N#CCCCC(=O)Nc1nc2ccc(Cl)cc2[nH]1 ZINC000874691462 642452116 /nfs/dbraw/zinc/45/21/16/642452116.db2.gz ZGWMVSSGKXGYEZ-UHFFFAOYSA-N 0 1 262.700 2.849 20 30 CFEDMN C#CCN1CCC(C(=O)N(CCCC)c2ccncc2)CC1 ZINC000876291008 642813217 /nfs/dbraw/zinc/81/32/17/642813217.db2.gz YFGMLLYNWDNYCX-UHFFFAOYSA-N 0 1 299.418 2.560 20 30 CFEDMN C=CC(C)(C)CCCNC(=O)N(C)[C@H]1CC[N@H+](C2CC2)C1 ZINC000876321336 642823436 /nfs/dbraw/zinc/82/34/36/642823436.db2.gz MEEFOGJSWFJIFJ-HNNXBMFYSA-N 0 1 293.455 2.857 20 30 CFEDMN C#CCCCCCCN1CCN(C(=O)C(C)(C)C)CC1 ZINC000876566742 642926444 /nfs/dbraw/zinc/92/64/44/642926444.db2.gz RTKUPALOMYRJGP-UHFFFAOYSA-N 0 1 278.440 2.760 20 30 CFEDMN N#Cc1cnc(Cl)c(CN2CCC[C@H]3COCC[C@H]32)c1 ZINC000876802887 643014722 /nfs/dbraw/zinc/01/47/22/643014722.db2.gz SSFATQBEXXMQIC-GXTWGEPZSA-N 0 1 291.782 2.608 20 30 CFEDMN N#Cc1cnc(Cl)c(CNC[C@H](O)C2CCCCC2)c1 ZINC000877005787 643101092 /nfs/dbraw/zinc/10/10/92/643101092.db2.gz VTVMVAILXSHNCX-AWEZNQCLSA-N 0 1 293.798 2.637 20 30 CFEDMN N#Cc1cnc(Cl)c(CNCCC(F)(F)F)c1 ZINC000877068084 643132212 /nfs/dbraw/zinc/13/22/12/643132212.db2.gz QGAJYVSNERBGEL-UHFFFAOYSA-N 0 1 263.650 2.649 20 30 CFEDMN C#CCN(Cc1cnc2c(F)cccc2c1)C1CC1 ZINC000877371443 643248691 /nfs/dbraw/zinc/24/86/91/643248691.db2.gz HCVJNQSCXIRGMU-UHFFFAOYSA-N 0 1 254.308 2.972 20 30 CFEDMN C#CCCCCCCN1CCOC[C@H]1[C@@H]1CCCC1=O ZINC000877465439 643285360 /nfs/dbraw/zinc/28/53/60/643285360.db2.gz XFZMEGADWUDJEU-HOTGVXAUSA-N 0 1 277.408 2.640 20 30 CFEDMN C[C@@]1(CCCO)CCCN1Cc1cc(C#N)cnc1Cl ZINC000877528498 643332352 /nfs/dbraw/zinc/33/23/52/643332352.db2.gz BWSZJDKAISVKPY-HNNXBMFYSA-N 0 1 293.798 2.734 20 30 CFEDMN C#C[C@H](NC1CC(n2cccn2)C1)c1ccc(F)cc1 ZINC000877543887 643344773 /nfs/dbraw/zinc/34/47/73/643344773.db2.gz JIKXQQCENAFRLJ-GPANFISMSA-N 0 1 269.323 2.690 20 30 CFEDMN CCOC(=O)N1CCC(C)(CN(C)CC(C)(C)C#N)CC1 ZINC000877549175 643349903 /nfs/dbraw/zinc/34/99/03/643349903.db2.gz IWESBHRZNAWBOT-UHFFFAOYSA-N 0 1 295.427 2.727 20 30 CFEDMN CC[C@@H]1C[N@@H+](CC)CCN1Cc1cc(C#N)cnc1Cl ZINC000877570770 643369061 /nfs/dbraw/zinc/36/90/61/643369061.db2.gz SDZNDNVOJIKETM-CQSZACIVSA-N 0 1 292.814 2.523 20 30 CFEDMN CC[C@H](COCC1CC1)NCc1cc(C#N)cnc1Cl ZINC000877622622 643409258 /nfs/dbraw/zinc/40/92/58/643409258.db2.gz RIMBEYJPUIFBQR-CQSZACIVSA-N 0 1 293.798 2.901 20 30 CFEDMN C[C@@H]1CCC[C@@H](CNCc2cc(C#N)cnc2Cl)O1 ZINC000877630039 643413655 /nfs/dbraw/zinc/41/36/55/643413655.db2.gz DQHJNHHRAPCORM-MFKMUULPSA-N 0 1 279.771 2.654 20 30 CFEDMN CS[C@H]1C[C@H](NCc2cc(C#N)cnc2Cl)C1 ZINC000877700381 643463133 /nfs/dbraw/zinc/46/31/33/643463133.db2.gz OHJMLICYIVZZKV-XYPYZODXSA-N 0 1 267.785 2.590 20 30 CFEDMN COC(=O)C[C@](C)(NCc1cccc(F)c1C#N)C1CC1 ZINC000877704474 643470761 /nfs/dbraw/zinc/47/07/61/643470761.db2.gz IXINFXGOGLYXKJ-INIZCTEOSA-N 0 1 290.338 2.519 20 30 CFEDMN CN(CCc1cccc(C#N)c1)Cc1ccnn1CC1CC1 ZINC000877704824 643470777 /nfs/dbraw/zinc/47/07/77/643470777.db2.gz NKQJIXAIBYTYKB-UHFFFAOYSA-N 0 1 294.402 2.839 20 30 CFEDMN Cc1cc(CN(C)CCc2cccc(C#N)c2)sn1 ZINC000877704158 643470894 /nfs/dbraw/zinc/47/08/94/643470894.db2.gz JLYODSFFRDVZLP-UHFFFAOYSA-N 0 1 271.389 2.998 20 30 CFEDMN COC(=O)c1coc(CN(C)CCc2cccc(C#N)c2)c1 ZINC000877704109 643471017 /nfs/dbraw/zinc/47/10/17/643471017.db2.gz ICXOGCDFSIASMY-UHFFFAOYSA-N 0 1 298.342 2.612 20 30 CFEDMN C=CC[C@@H](C)N1CCN(C(=O)CC(C)(C)C)CC1 ZINC000877891090 643626196 /nfs/dbraw/zinc/62/61/96/643626196.db2.gz BYCWVSFLUHWLCR-CYBMUJFWSA-N 0 1 252.402 2.531 20 30 CFEDMN C=CCN(Cc1cccs1)C[C@H](O)CC1(O)CCCC1 ZINC000877907196 643635108 /nfs/dbraw/zinc/63/51/08/643635108.db2.gz RVLPQJXFPPRODR-CQSZACIVSA-N 0 1 295.448 2.792 20 30 CFEDMN C=CC[C@@H](C(=O)OC)N1CC[C@@H](c2ccccc2)C1 ZINC000878014108 643693724 /nfs/dbraw/zinc/69/37/24/643693724.db2.gz IBKQBXDVBBLCTH-CABCVRRESA-N 0 1 259.349 2.594 20 30 CFEDMN C=CC[C@H](C)N1CCO[C@@H]([C@H](C)NC(=O)OC(C)(C)C)C1 ZINC000878193130 643787411 /nfs/dbraw/zinc/78/74/11/643787411.db2.gz TXJIDIDMPHOOSA-MELADBBJSA-N 0 1 298.427 2.565 20 30 CFEDMN C#CCCCCC[N@H+]1CCN(CC(F)(F)F)[C@H](C)C1 ZINC000878325797 643840804 /nfs/dbraw/zinc/84/08/04/643840804.db2.gz ROLNZDPCAFMGSP-CYBMUJFWSA-N 0 1 276.346 2.748 20 30 CFEDMN C#CCCCCCN1CCN(CC(F)(F)F)[C@H](C)C1 ZINC000878325797 643840809 /nfs/dbraw/zinc/84/08/09/643840809.db2.gz ROLNZDPCAFMGSP-CYBMUJFWSA-N 0 1 276.346 2.748 20 30 CFEDMN C=C(C)CN(CC[C@@H](O)C(C)C)Cc1ccc(CO)o1 ZINC000878605551 643955310 /nfs/dbraw/zinc/95/53/10/643955310.db2.gz BJXBZYJEVGGNDC-MRXNPFEDSA-N 0 1 281.396 2.557 20 30 CFEDMN C[C@@H]1CN(Cc2cncc3ccccc32)C[C@@H](C)N1CC#N ZINC000878772116 644021595 /nfs/dbraw/zinc/02/15/95/644021595.db2.gz FUPYGYNGOGAULC-HUUCEWRRSA-N 0 1 294.402 2.653 20 30 CFEDMN C[C@@H](CC#N)NC[C@@H](O)Cc1ccc(C(F)(F)F)cc1 ZINC000878821376 644039517 /nfs/dbraw/zinc/03/95/17/644039517.db2.gz XZVBPXVHLGAWDU-GWCFXTLKSA-N 0 1 286.297 2.501 20 30 CFEDMN C#CCCN1CC[NH+]([C@@H](CC)c2ccc(F)cc2)CC1 ZINC000127418788 644079980 /nfs/dbraw/zinc/07/99/80/644079980.db2.gz UNKBRQJDMGSTLO-KRWDZBQOSA-N 0 1 274.383 2.918 20 30 CFEDMN C#CCCN1CCN([C@@H](CC)c2ccc(F)cc2)CC1 ZINC000127418788 644079981 /nfs/dbraw/zinc/07/99/81/644079981.db2.gz UNKBRQJDMGSTLO-KRWDZBQOSA-N 0 1 274.383 2.918 20 30 CFEDMN C=CC(C)(C)CC(=O)NCc1nc2ccc(F)cc2[nH]1 ZINC000879023380 644115219 /nfs/dbraw/zinc/11/52/19/644115219.db2.gz LFXCXYISUUQYQP-UHFFFAOYSA-N 0 1 275.327 2.921 20 30 CFEDMN Cc1c(C#N)cccc1NC(=O)[C@H]1c2cn[nH]c2CC[C@H]1C ZINC000879218780 644179968 /nfs/dbraw/zinc/17/99/68/644179968.db2.gz RKBJHWAHSUZQIQ-QLJPJBMISA-N 0 1 294.358 2.894 20 30 CFEDMN CCCCCC[C@H](O)CN(C)[C@H]1CCC[C@H]1C#N ZINC000879309233 644216580 /nfs/dbraw/zinc/21/65/80/644216580.db2.gz MQENZSQQGBLHNC-KKUMJFAQSA-N 0 1 252.402 2.942 20 30 CFEDMN CN(CC[C@@H](O)c1ccccc1)[C@H]1CCC[C@H]1C#N ZINC000879308562 644217298 /nfs/dbraw/zinc/21/72/98/644217298.db2.gz CRSMHUVYUCEKJL-HRCADAONSA-N 0 1 258.365 2.734 20 30 CFEDMN COc1cc(C#N)ccc1C[N@H+]1C[C@H](OC)CC[C@H]1C ZINC000879323295 644229462 /nfs/dbraw/zinc/22/94/62/644229462.db2.gz YSEJFVOOYYGACT-IUODEOHRSA-N 0 1 274.364 2.566 20 30 CFEDMN COc1cc(C#N)ccc1CN1C[C@H](OC)CC[C@H]1C ZINC000879323295 644229470 /nfs/dbraw/zinc/22/94/70/644229470.db2.gz YSEJFVOOYYGACT-IUODEOHRSA-N 0 1 274.364 2.566 20 30 CFEDMN CN(CCc1cccc(C#N)c1)Cc1cnc(Cl)cn1 ZINC000879433597 644270412 /nfs/dbraw/zinc/27/04/12/644270412.db2.gz YAMXGFNOGYHXPT-UHFFFAOYSA-N 0 1 286.766 2.676 20 30 CFEDMN C=C(C)[C@H](CO)N[C@@H](CC)c1cccc(OC)c1OC ZINC000879465088 644279903 /nfs/dbraw/zinc/27/99/03/644279903.db2.gz BHYALYJCXLQADH-KBPBESRZSA-N 0 1 279.380 2.682 20 30 CFEDMN C=CCCCCNC(=O)[C@H]1c2cn[nH]c2CC[C@@H]1C ZINC000879514658 644298276 /nfs/dbraw/zinc/29/82/76/644298276.db2.gz MDSCEWBMYLXPMJ-SMDDNHRTSA-N 0 1 261.369 2.548 20 30 CFEDMN C=CCCCCNC(=O)[C@@H]1c2cn[nH]c2CC[C@H]1C ZINC000879514657 644298479 /nfs/dbraw/zinc/29/84/79/644298479.db2.gz MDSCEWBMYLXPMJ-RISCZKNCSA-N 0 1 261.369 2.548 20 30 CFEDMN N#Cc1cccc(CN2CC[C@H]3CSC[C@@H]3C2)c1F ZINC000879563043 644322143 /nfs/dbraw/zinc/32/21/43/644322143.db2.gz PUURPRXGILCVCT-KBPBESRZSA-N 0 1 276.380 2.882 20 30 CFEDMN CC1(C)CC[C@@H](CN2CCN(c3ccc(C#N)cc3)CC2)O1 ZINC000879586224 644341387 /nfs/dbraw/zinc/34/13/87/644341387.db2.gz ICECLEWKWKVYHC-KRWDZBQOSA-N 0 1 299.418 2.638 20 30 CFEDMN COc1cc(C#N)ccc1CN1CCC(C(C)(C)O)CC1 ZINC000879627683 644354491 /nfs/dbraw/zinc/35/44/91/644354491.db2.gz OIRJKYIXJBOXFV-UHFFFAOYSA-N 0 1 288.391 2.550 20 30 CFEDMN Cc1nc(C2C[C@H]3CC[C@@H](C2)N3Cc2ccc(C#N)o2)no1 ZINC000879684068 644378321 /nfs/dbraw/zinc/37/83/21/644378321.db2.gz SGHGGCWXWKNCFM-YHWZYXNKSA-N 0 1 298.346 2.753 20 30 CFEDMN C=CC[C@H](C)N1Cc2cccnc2N2CCC[C@H]2C1 ZINC000879693703 644383859 /nfs/dbraw/zinc/38/38/59/644383859.db2.gz UBMIKALEQAKPQG-ZFWWWQNUSA-N 0 1 257.381 2.831 20 30 CFEDMN C=CC[C@H](CC)NC(=O)[C@H]1c2cn[nH]c2CC[C@H]1C ZINC000879856879 644447970 /nfs/dbraw/zinc/44/79/70/644447970.db2.gz VGDRONOCXOYYII-UHIISALHSA-N 0 1 261.369 2.547 20 30 CFEDMN CC(=O)Nc1ccc2c(c1)CN(CCC(C)(C)C#N)CC2 ZINC000880032006 644507824 /nfs/dbraw/zinc/50/78/24/644507824.db2.gz WRFSTRALORNNQX-UHFFFAOYSA-N 0 1 285.391 2.943 20 30 CFEDMN C#CCCN1CCc2cc(OC)c(OC)cc2[C@@H]1C ZINC000880090090 644526919 /nfs/dbraw/zinc/52/69/19/644526919.db2.gz NPNHHPRVLFQJDY-LBPRGKRZSA-N 0 1 259.349 2.646 20 30 CFEDMN C=CCC(C)(C)CNC(=O)[C@H]1c2cn[nH]c2CC[C@H]1C ZINC000880112227 644534881 /nfs/dbraw/zinc/53/48/81/644534881.db2.gz KZBRHNGUKFZSMB-BXUZGUMPSA-N 0 1 275.396 2.794 20 30 CFEDMN C=CCCC[C@H](C(=O)NOC(C)(C)CO)c1ccccc1 ZINC000880264990 644620268 /nfs/dbraw/zinc/62/02/68/644620268.db2.gz PCIOIXFVVWOXRR-HNNXBMFYSA-N 0 1 291.391 2.945 20 30 CFEDMN C#CCCCCCN1CCn2cnc(C(F)(F)F)c2C1 ZINC000880272059 644620929 /nfs/dbraw/zinc/62/09/29/644620929.db2.gz ORVGUKWRIFZSCO-UHFFFAOYSA-N 0 1 285.313 2.911 20 30 CFEDMN CC(C)C(N)=NOCc1coc(-c2cccc(F)c2)n1 ZINC000128484561 644766384 /nfs/dbraw/zinc/76/63/84/644766384.db2.gz TVJVJULZYSVMIT-UHFFFAOYSA-N 0 1 277.299 2.926 20 30 CFEDMN C=CCCC(C)(C)NC(=O)[C@@H]1c2cn[nH]c2CC[C@H]1C ZINC000880769307 644834395 /nfs/dbraw/zinc/83/43/95/644834395.db2.gz ZJKFEMIQPVWNMA-RISCZKNCSA-N 0 1 275.396 2.937 20 30 CFEDMN C[C@H]1CCc2[nH]ncc2[C@H]1C(=O)Nc1cc(F)cc(C#N)c1 ZINC000880978027 644886668 /nfs/dbraw/zinc/88/66/68/644886668.db2.gz FAARIEDYXDVFLA-VFZGTOFNSA-N 0 1 298.321 2.725 20 30 CFEDMN COc1nc(-c2ccc(C3(C#N)CC3)cc2)nc2[nH]cnc21 ZINC001243419137 782189267 /nfs/dbraw/zinc/18/92/67/782189267.db2.gz SRDDDJQHUKANMR-UHFFFAOYSA-N 0 1 291.314 2.584 20 30 CFEDMN CCCN(C)CC(=O)Nc1ccc(C2CC2)c(C#N)c1 ZINC000882312843 645278705 /nfs/dbraw/zinc/27/87/05/645278705.db2.gz DSVFNIBVMVAOMY-UHFFFAOYSA-N 0 1 271.364 2.716 20 30 CFEDMN CCN1CC[C@@H]1CNc1ncc(C#N)c2ccsc21 ZINC000882958842 645528623 /nfs/dbraw/zinc/52/86/23/645528623.db2.gz MHCMPODHPBSJSM-LLVKDONJSA-N 0 1 272.377 2.674 20 30 CFEDMN CC(C)[C@@H](O)CCn1[nH]c(C(C)(C)C)c(CCC#N)c1=O ZINC000882984133 645541811 /nfs/dbraw/zinc/54/18/11/645541811.db2.gz XPJJUDGUXUYNFY-ZDUSSCGKSA-N 0 1 293.411 2.749 20 30 CFEDMN C#Cc1ccc(CNCc2ccnn2CC2CCC2)cc1 ZINC000883132096 645619135 /nfs/dbraw/zinc/61/91/35/645619135.db2.gz GAXGRKLLJMNTSN-UHFFFAOYSA-N 0 1 279.387 2.954 20 30 CFEDMN C#Cc1ccc(CNCc2cc(C(F)(F)F)nn2C)cc1 ZINC000883132337 645619380 /nfs/dbraw/zinc/61/93/80/645619380.db2.gz NOKOCHLLLLHTSM-UHFFFAOYSA-N 0 1 293.292 2.710 20 30 CFEDMN C=CCC[C@H](N[C@H]1CC(=O)N(CC2CC2)C1)c1ccco1 ZINC000883395014 645793559 /nfs/dbraw/zinc/79/35/59/645793559.db2.gz LNPIYPMETLHYAH-GJZGRUSLSA-N 0 1 288.391 2.887 20 30 CFEDMN Cc1ccccc1OCCCON=C(N)C(C)C ZINC000133634667 646198033 /nfs/dbraw/zinc/19/80/33/646198033.db2.gz GDOYQCPECCESFC-UHFFFAOYSA-N 0 1 250.342 2.709 20 30 CFEDMN CC(C)C(N)=NOCCOc1ccccc1Cl ZINC000133651008 646202678 /nfs/dbraw/zinc/20/26/78/646202678.db2.gz DGKMWKXGWLNAIF-UHFFFAOYSA-N 0 1 256.733 2.664 20 30 CFEDMN C=CC[C@@H](C)NC(=O)[C@H](N)c1ccc(Br)cc1 ZINC000884145339 646236966 /nfs/dbraw/zinc/23/69/66/646236966.db2.gz IDJOTCUDZAXKKS-BXKDBHETSA-N 0 1 297.196 2.530 20 30 CFEDMN CCCCCNC(=O)C(C#N)C(=O)CC1CCSCC1 ZINC000134973296 646422445 /nfs/dbraw/zinc/42/24/45/646422445.db2.gz ZISTVBJGSWQUJY-CYBMUJFWSA-N 0 1 296.436 2.535 20 30 CFEDMN C#CCN1CCC[C@H](Nc2ncnc3sc(C)cc32)C1 ZINC000884612430 646486957 /nfs/dbraw/zinc/48/69/57/646486957.db2.gz LKHIZZXTOVDKSN-LBPRGKRZSA-N 0 1 286.404 2.509 20 30 CFEDMN C=CC(C)(C)CC(=O)O[C@@H](C)c1n[nH]c(CC)n1 ZINC000884648749 646507071 /nfs/dbraw/zinc/50/70/71/646507071.db2.gz GYPKSAVXIVPRFL-VIFPVBQESA-N 0 1 251.330 2.574 20 30 CFEDMN Cc1nc(C2CCN(c3ccc(C#N)nc3)CC2)[nH]c1C ZINC000884707429 646535255 /nfs/dbraw/zinc/53/52/55/646535255.db2.gz KWCAVEPDXKZPNV-UHFFFAOYSA-N 0 1 281.363 2.677 20 30 CFEDMN C=CCCCCOC(=O)[C@@H]1c2cn[nH]c2CC[C@H]1C ZINC000885259412 646650108 /nfs/dbraw/zinc/65/01/08/646650108.db2.gz LVQNOFRSQRDZTP-RISCZKNCSA-N 0 1 262.353 2.975 20 30 CFEDMN N#Cc1cccnc1N1CCN(CC[C@@H]2C[C@H]2C2CC2)CC1 ZINC000885933455 646773155 /nfs/dbraw/zinc/77/31/55/646773155.db2.gz UTQSBSZCIXATON-WBVHZDCISA-N 0 1 296.418 2.511 20 30 CFEDMN Cc1[nH]nc(CNc2ccccc2O[C@H](C)C#N)c1C ZINC000886060294 646848359 /nfs/dbraw/zinc/84/83/59/646848359.db2.gz YXUWNTJGDKFIQW-SNVBAGLBSA-N 0 1 270.336 2.930 20 30 CFEDMN CSc1ccc(CNCc2[nH]nc(C)c2C)cc1C#N ZINC000886277529 646948410 /nfs/dbraw/zinc/94/84/10/646948410.db2.gz UHFQNFWIRYITCK-UHFFFAOYSA-N 0 1 286.404 2.910 20 30 CFEDMN N#CC1(C[C@H](O)CN[C@@H](CF)c2ccc(F)cc2)CCC1 ZINC000886310511 646963255 /nfs/dbraw/zinc/96/32/55/646963255.db2.gz MQZLZBUXQIYXHE-GJZGRUSLSA-N 0 1 294.345 2.871 20 30 CFEDMN C#CC[C@@H]1CCN(CC(=O)Nc2ccc(Cl)cc2C)C1 ZINC000886357589 646986272 /nfs/dbraw/zinc/98/62/72/646986272.db2.gz JDIOXBOIKBOIJI-CYBMUJFWSA-N 0 1 290.794 2.932 20 30 CFEDMN C#CC[C@@H]1CCN([C@H](C)c2nc3ccccc3c(=O)[nH]2)C1 ZINC000886360661 646986992 /nfs/dbraw/zinc/98/69/92/646986992.db2.gz ZFDIUGLTEZOYIC-CHWSQXEVSA-N 0 1 281.359 2.742 20 30 CFEDMN C#CC[C@H]1CC[N@@H+](Cc2cc(F)cc(C(C)=O)c2[O-])C1 ZINC000886360284 646987181 /nfs/dbraw/zinc/98/71/81/646987181.db2.gz SWCWJRDIMOKLLK-LBPRGKRZSA-N 0 1 275.323 2.579 20 30 CFEDMN C#CC[C@H]1CC[N@H+](Cc2cc(F)cc(C(C)=O)c2[O-])C1 ZINC000886360284 646987183 /nfs/dbraw/zinc/98/71/83/646987183.db2.gz SWCWJRDIMOKLLK-LBPRGKRZSA-N 0 1 275.323 2.579 20 30 CFEDMN C#CC[C@@H]1CCN(Cc2ncccc2Br)C1 ZINC000886365221 646988906 /nfs/dbraw/zinc/98/89/06/646988906.db2.gz COPYDIPQMHWCGW-LLVKDONJSA-N 0 1 279.181 2.689 20 30 CFEDMN C=CCC1(O)CCN([C@@H](C)c2ccc(C(=O)OC)o2)CC1 ZINC000886762073 647129303 /nfs/dbraw/zinc/12/93/03/647129303.db2.gz QLVHMUDPRJLYHU-LBPRGKRZSA-N 0 1 293.363 2.530 20 30 CFEDMN Cc1ccc(CN2CC[C@](CO)(C(F)(F)F)C2)cc1C#N ZINC000886813279 647149283 /nfs/dbraw/zinc/14/92/83/647149283.db2.gz IBKWJYCCBKRNNP-AWEZNQCLSA-N 0 1 298.308 2.613 20 30 CFEDMN C=C(C)CN(CC)C(=O)CN[C@H]1CCc2c1cccc2F ZINC000886920928 647175336 /nfs/dbraw/zinc/17/53/36/647175336.db2.gz QKIAFTPSWZVOKJ-INIZCTEOSA-N 0 1 290.382 2.827 20 30 CFEDMN Cc1oc(NC(=O)c2ccc(C#N)c(O)c2)nc1C1CC1 ZINC000887241399 647247532 /nfs/dbraw/zinc/24/75/32/647247532.db2.gz PTIMRGJNTNIDGP-UHFFFAOYSA-N 0 1 283.287 2.690 20 30 CFEDMN C#CCN1CCC(C(=O)N(C)Cc2c(C)cccc2C)CC1 ZINC000887962192 647448412 /nfs/dbraw/zinc/44/84/12/647448412.db2.gz VMYOKOBSTGZUTC-UHFFFAOYSA-N 0 1 298.430 2.607 20 30 CFEDMN C=C1CCC(C(=O)Nc2cc(CN(C)C)ccn2)CC1 ZINC000889357448 647548115 /nfs/dbraw/zinc/54/81/15/647548115.db2.gz LREDDVSZVKKERK-UHFFFAOYSA-N 0 1 273.380 2.828 20 30 CFEDMN C=CCCOCCN[C@H]1CCc2c1nccc2Cl ZINC000925633427 648252361 /nfs/dbraw/zinc/25/23/61/648252361.db2.gz WGJDNXTWRRXZJL-ZDUSSCGKSA-N 0 1 266.772 2.905 20 30 CFEDMN CC[C@H]([NH2+][C@H]1CCc2[nH]cnc2C1)c1cccc(C#N)c1[O-] ZINC000926450415 648491921 /nfs/dbraw/zinc/49/19/21/648491921.db2.gz MKSWIBPAMUXAFF-JSGCOSHPSA-N 0 1 296.374 2.585 20 30 CFEDMN C[C@@H](NCC(C)(C)CC#N)c1cn2c(n1)CCCC2 ZINC000926568414 648536080 /nfs/dbraw/zinc/53/60/80/648536080.db2.gz LKNYJRUZSRWBCA-GFCCVEGCSA-N 0 1 260.385 2.810 20 30 CFEDMN C=CCCC(C)(C)CN[C@@H](C)c1cc(CO)on1 ZINC000926780556 648612144 /nfs/dbraw/zinc/61/21/44/648612144.db2.gz DHCVLWHZBSBSPR-NSHDSACASA-N 0 1 252.358 2.810 20 30 CFEDMN C=CCCC[C@@H](C(=O)NC[C@@H]1CCN1C)c1ccccc1 ZINC000928571550 648925169 /nfs/dbraw/zinc/92/51/69/648925169.db2.gz OXDZPGZNQCHKLD-DLBZAZTESA-N 0 1 286.419 2.947 20 30 CFEDMN C#CCN1CCC(NC(=O)CCCSC(C)(C)C)CC1 ZINC000928654484 648938720 /nfs/dbraw/zinc/93/87/20/648938720.db2.gz DOOSKYRRGBWAJG-UHFFFAOYSA-N 0 1 296.480 2.512 20 30 CFEDMN C#CCN(C(=O)c1cc(-c2ccc(C)cc2)[nH]n1)C(C)C ZINC000928630751 648938858 /nfs/dbraw/zinc/93/88/58/648938858.db2.gz ONQKBMVYQUPTCX-UHFFFAOYSA-N 0 1 281.359 2.869 20 30 CFEDMN C#CCN1CCC(NC(=O)CCCCCCSC)CC1 ZINC000928660747 648939717 /nfs/dbraw/zinc/93/97/17/648939717.db2.gz PFCHYOUHGSBXFY-UHFFFAOYSA-N 0 1 296.480 2.514 20 30 CFEDMN C[C@H](NC[C@H](O)CC#N)c1ccc(OCC2CC2)c(F)c1 ZINC000930233045 649211104 /nfs/dbraw/zinc/21/11/04/649211104.db2.gz LVOZWOMJWGXLGS-SMDDNHRTSA-N 0 1 292.354 2.540 20 30 CFEDMN N#CC[C@@H](O)CN1CC=C(c2cccc(Cl)c2)CC1 ZINC000930285822 649222144 /nfs/dbraw/zinc/22/21/44/649222144.db2.gz XTTNDKIUQYDINC-OAHLLOKOSA-N 0 1 276.767 2.704 20 30 CFEDMN CN(CCc1cccc([N+](=O)[O-])c1)Cc1cncc(C#N)c1 ZINC000930353416 649236548 /nfs/dbraw/zinc/23/65/48/649236548.db2.gz KHPNOYVMBIOEFU-UHFFFAOYSA-N 0 1 296.330 2.536 20 30 CFEDMN Cc1noc([C@H]2CCCN2CC2CCC(C#N)CC2)n1 ZINC000930476400 649256729 /nfs/dbraw/zinc/25/67/29/649256729.db2.gz RIUKTLPVANUYIW-JXQTWKCFSA-N 0 1 274.368 2.845 20 30 CFEDMN N#CC[C@@H](O)CN1CC[C@@H](Sc2cccc(Cl)c2)C1 ZINC000930559529 649273715 /nfs/dbraw/zinc/27/37/15/649273715.db2.gz MJNSEGVKOQPCRX-TZMCWYRMSA-N 0 1 296.823 2.781 20 30 CFEDMN CC[C@H](CC#N)NC[C@H]1CCC[C@@H](C(F)(F)F)O1 ZINC000930693420 649307627 /nfs/dbraw/zinc/30/76/27/649307627.db2.gz NIQMROAWUQBMGD-MXWKQRLJSA-N 0 1 264.291 2.768 20 30 CFEDMN N#Cc1cncc(C[N@H+]2CCC[C@H](c3cccnc3)C2)c1 ZINC000930808930 649328141 /nfs/dbraw/zinc/32/81/41/649328141.db2.gz KFWKPRZIBWCWPS-KRWDZBQOSA-N 0 1 278.359 2.728 20 30 CFEDMN N#Cc1cncc(CN2CCC[C@H](c3cccnc3)C2)c1 ZINC000930808930 649328144 /nfs/dbraw/zinc/32/81/44/649328144.db2.gz KFWKPRZIBWCWPS-KRWDZBQOSA-N 0 1 278.359 2.728 20 30 CFEDMN N#Cc1cc(Cl)cc(CN2CCCCC[C@H]2CO)c1 ZINC000930871179 649340354 /nfs/dbraw/zinc/34/03/54/649340354.db2.gz WZSFJZQCAYKYBF-HNNXBMFYSA-N 0 1 278.783 2.949 20 30 CFEDMN Cc1oc2ccc(NC(=O)NCC#CCN(C)C)cc2c1C ZINC000930896843 649345671 /nfs/dbraw/zinc/34/56/71/649345671.db2.gz ITDWZMRJPYDLDY-UHFFFAOYSA-N 0 1 299.374 2.736 20 30 CFEDMN C#CCN(C(=O)c1cccc(F)c1O)C1CCCCC1 ZINC000930958216 649355721 /nfs/dbraw/zinc/35/57/21/649355721.db2.gz ABGBVTCOIZVFRU-UHFFFAOYSA-N 0 1 275.323 2.939 20 30 CFEDMN C=CCN(CC(F)(F)F)C(=O)c1cccc(F)c1O ZINC000931110721 649381570 /nfs/dbraw/zinc/38/15/70/649381570.db2.gz FKWKPHKLKXBHIO-UHFFFAOYSA-N 0 1 277.217 2.722 20 30 CFEDMN Cc1ccc(C#N)cc1NC(=O)[C@@H]1CCCN1C(C)C ZINC000931130155 649383743 /nfs/dbraw/zinc/38/37/43/649383743.db2.gz KSKIRUYYJKYDJT-HNNXBMFYSA-N 0 1 271.364 2.678 20 30 CFEDMN Cc1ccc(C#N)cc1NC(=O)[C@H]1CCCN1C(C)C ZINC000931130256 649383759 /nfs/dbraw/zinc/38/37/59/649383759.db2.gz KSKIRUYYJKYDJT-OAHLLOKOSA-N 0 1 271.364 2.678 20 30 CFEDMN CC[C@@H](C)[C@@H](C(=O)OC)N(C)CCc1cccc(C#N)c1 ZINC000931511062 649444341 /nfs/dbraw/zinc/44/43/41/649444341.db2.gz WUXAQZKDPGKELL-CJNGLKHVSA-N 0 1 288.391 2.620 20 30 CFEDMN C=C[C@H](CC)CC(=O)Nc1nc(-c2ccco2)n[nH]1 ZINC000931796842 649490575 /nfs/dbraw/zinc/49/05/75/649490575.db2.gz NPLKDTUORAQSGY-SECBINFHSA-N 0 1 260.297 2.606 20 30 CFEDMN CC(C)(C)CN(CCC#N)C(=O)c1cccc(F)c1O ZINC000932060129 649530547 /nfs/dbraw/zinc/53/05/47/649530547.db2.gz MTRLKQSRMXVADQ-UHFFFAOYSA-N 0 1 278.327 2.933 20 30 CFEDMN Cn1ccc([C@@H]2CCCN(Cc3ccc(C#N)cc3F)C2)n1 ZINC000932139746 649548828 /nfs/dbraw/zinc/54/88/28/649548828.db2.gz RPGKJVHPCFTNKM-OAHLLOKOSA-N 0 1 298.365 2.810 20 30 CFEDMN C#CCOc1ccc(NC(=O)[C@@H]2CCC[N@@H+]2C(C)C)cc1 ZINC000932293235 649575245 /nfs/dbraw/zinc/57/52/45/649575245.db2.gz NZCXQROSRSFQST-INIZCTEOSA-N 0 1 286.375 2.510 20 30 CFEDMN C#CCOc1ccc(NC(=O)[C@@H]2CCCN2C(C)C)cc1 ZINC000932293235 649575249 /nfs/dbraw/zinc/57/52/49/649575249.db2.gz NZCXQROSRSFQST-INIZCTEOSA-N 0 1 286.375 2.510 20 30 CFEDMN C=CCN(CC=C)C(=O)[C@@H](C)N[C@H](c1ccccn1)C1CC1 ZINC000932377199 649587892 /nfs/dbraw/zinc/58/78/92/649587892.db2.gz DNLKTYLLMHNMDW-PBHICJAKSA-N 0 1 299.418 2.711 20 30 CFEDMN C[C@H]1[C@@H](NC(=O)Nc2ccc(C3CC3)c(C#N)c2)CC[N@H+]1C ZINC000932423292 649596578 /nfs/dbraw/zinc/59/65/78/649596578.db2.gz QWNICEADZPEBJO-ZBEGNZNMSA-N 0 1 298.390 2.650 20 30 CFEDMN CC(C)(C)NC(=O)[C@H]1CCCN1Cc1ccc(CC#N)cc1 ZINC000932438509 649600380 /nfs/dbraw/zinc/60/03/80/649600380.db2.gz XRXRTYXVTWEMKG-MRXNPFEDSA-N 0 1 299.418 2.632 20 30 CFEDMN N#CCC[C@H](C#N)CN1CCC[C@@H](C2CCOCC2)C1 ZINC000933081157 649670355 /nfs/dbraw/zinc/67/03/55/649670355.db2.gz GOXVMLDIVDEAOJ-GDBMZVCRSA-N 0 1 275.396 2.569 20 30 CFEDMN C#CCC1(N[C@@H](C)c2cn(-c3ccccc3)nn2)CCC1 ZINC000933299233 649685604 /nfs/dbraw/zinc/68/56/04/649685604.db2.gz RHDSZZZGDFZQEU-AWEZNQCLSA-N 0 1 280.375 2.864 20 30 CFEDMN Cc1cn(C)nc1CN1CCC(c2ccc(C#N)cc2)CC1 ZINC000933611455 649706240 /nfs/dbraw/zinc/70/62/40/649706240.db2.gz PSGPLCYSWOJHKO-UHFFFAOYSA-N 0 1 294.402 2.980 20 30 CFEDMN CC[C@H](C)CN1CCO[C@H](c2ccc(C#N)cc2)C1 ZINC000933630065 649708303 /nfs/dbraw/zinc/70/83/03/649708303.db2.gz VWBBSLGXWLGKMT-BBRMVZONSA-N 0 1 258.365 2.978 20 30 CFEDMN O=C(CCN1CCC2(CC1)CC(=O)C=CO2)c1ccccc1 ZINC000933646113 649709856 /nfs/dbraw/zinc/70/98/56/649709856.db2.gz GTVDQVFGELLHTN-UHFFFAOYSA-N 0 1 299.370 2.597 20 30 CFEDMN C=C[C@H](CC)CC(=O)NCc1nc2ccc(F)cc2[nH]1 ZINC000933825082 649723503 /nfs/dbraw/zinc/72/35/03/649723503.db2.gz JURWOQNWWKPEJM-SNVBAGLBSA-N 0 1 275.327 2.921 20 30 CFEDMN C=CC[C@H]1CCN1[C@H](C)C(=O)Nc1ccc(OC)cc1 ZINC000934465993 649789291 /nfs/dbraw/zinc/78/92/91/649789291.db2.gz IQAVKOSVOXOCAY-OCCSQVGLSA-N 0 1 274.364 2.673 20 30 CFEDMN C=CC[C@@H]1CCN1[C@H](C)C(=O)NCCc1ccccc1C ZINC000934471162 649790286 /nfs/dbraw/zinc/79/02/86/649790286.db2.gz HRQOXFFDDMCWRU-NVXWUHKLSA-N 0 1 286.419 2.693 20 30 CFEDMN C=CC[C@H]1CCN1[C@@H](C)C(=O)Nc1ccccc1C ZINC000934472040 649790882 /nfs/dbraw/zinc/79/08/82/649790882.db2.gz LHRXSJIMOIDXAE-KBPBESRZSA-N 0 1 258.365 2.972 20 30 CFEDMN C=CCCCN(CC)CC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000934646022 649811991 /nfs/dbraw/zinc/81/19/91/649811991.db2.gz MFCLMTJIUOMZKQ-UHFFFAOYSA-N 0 1 291.351 2.821 20 30 CFEDMN C=C(C)CN(CC)C(=O)CN[C@H](c1ccncc1)C1CC1 ZINC000934684423 649815389 /nfs/dbraw/zinc/81/53/89/649815389.db2.gz AVQPOSNHXUYCLK-KRWDZBQOSA-N 0 1 287.407 2.547 20 30 CFEDMN N#Cc1ccc(CN[C@H](c2ccncc2)C2CC2)o1 ZINC000934696548 649816702 /nfs/dbraw/zinc/81/67/02/649816702.db2.gz ANLNRCTUYSMDQE-HNNXBMFYSA-N 0 1 253.305 2.787 20 30 CFEDMN C=C(C)CN1CCC[C@@H](NC(=O)c2sccc2C)C1 ZINC001006601085 651126624 /nfs/dbraw/zinc/12/66/24/651126624.db2.gz HGCYRZZEIFERTM-CYBMUJFWSA-N 0 1 278.421 2.827 20 30 CFEDMN C=C(C)CN1CCC[C@H](NC(=O)c2cccc(F)c2)C1 ZINC001006624149 651127039 /nfs/dbraw/zinc/12/70/39/651127039.db2.gz JEKIAWACEASMPF-HNNXBMFYSA-N 0 1 276.355 2.596 20 30 CFEDMN C=C(C)CN1CCC[C@H](NC(=O)c2cc3occc3[nH]2)C1 ZINC001007446372 651135188 /nfs/dbraw/zinc/13/51/88/651135188.db2.gz ZOKGUGORFREOST-LBPRGKRZSA-N 0 1 287.363 2.531 20 30 CFEDMN C=CCN1CCC[C@@H](NC(=O)[C@@H]2CCCc3ccccc32)C1 ZINC001007630791 651137146 /nfs/dbraw/zinc/13/71/46/651137146.db2.gz AXHMSRIILHZNBB-SJLPKXTDSA-N 0 1 298.430 2.873 20 30 CFEDMN C=CCN1CCC[C@H](NC(=O)[C@H]2CCC=CCCC2)C1 ZINC001007611539 651137310 /nfs/dbraw/zinc/13/73/10/651137310.db2.gz RTAZCHYHKCPISS-HOTGVXAUSA-N 0 1 276.424 2.890 20 30 CFEDMN C=C(C)CN1CCC[C@H](NC(=O)[C@@H]2C[C@@H]3CCCC[C@H]23)C1 ZINC001008035987 651141192 /nfs/dbraw/zinc/14/11/92/651141192.db2.gz NABRDDRDJDVCTM-LUKYLMHMSA-N 0 1 290.451 2.969 20 30 CFEDMN C=C(C)CN1CCC[C@H](NC(=O)c2nccc3occc32)C1 ZINC001008015469 651141205 /nfs/dbraw/zinc/14/12/05/651141205.db2.gz LYTDMDXNIZCWTO-ZDUSSCGKSA-N 0 1 299.374 2.598 20 30 CFEDMN C=CCN1CCC[C@@H](NC(=O)[C@@H]2C[C@@H]3CCCC[C@H]23)C1 ZINC001008011032 651141340 /nfs/dbraw/zinc/14/13/40/651141340.db2.gz WWRIEQTZJVCRCC-XUWVNRHRSA-N 0 1 276.424 2.579 20 30 CFEDMN C=CCN1CCC[C@H](NC(=O)[C@@H](C)c2ccsc2)C1 ZINC001008516287 651150557 /nfs/dbraw/zinc/15/05/57/651150557.db2.gz HANGHACBRWSMGZ-JSGCOSHPSA-N 0 1 278.421 2.618 20 30 CFEDMN C=C(C)CN1CCC[C@H](NC(=O)c2ccc(C)cc2F)C1 ZINC001008656143 651151324 /nfs/dbraw/zinc/15/13/24/651151324.db2.gz YZSYLNORXKBFBF-AWEZNQCLSA-N 0 1 290.382 2.904 20 30 CFEDMN C=C(C)CN1CCC[C@H](NC(=O)c2cc(C)ccc2F)C1 ZINC001008666146 651152281 /nfs/dbraw/zinc/15/22/81/651152281.db2.gz MVNPRTPLXWTGSP-AWEZNQCLSA-N 0 1 290.382 2.904 20 30 CFEDMN C=C(C)CN1CCC[C@H](NC(=O)[C@H](F)c2ccccc2)C1 ZINC001008698942 651153231 /nfs/dbraw/zinc/15/32/31/651153231.db2.gz ULYRSKQHPRYVPT-JKSUJKDBSA-N 0 1 290.382 2.854 20 30 CFEDMN C=C(C)CN1CCC[C@H](NC(=O)c2c[nH]cc2C2CC2)C1 ZINC001009031604 651155425 /nfs/dbraw/zinc/15/54/25/651155425.db2.gz URYYZOURCRQCAQ-AWEZNQCLSA-N 0 1 287.407 2.662 20 30 CFEDMN C=C(C)CN1CCC[C@@H](NC(=O)C2(F)CCCCC2)C1 ZINC001009094376 651156301 /nfs/dbraw/zinc/15/63/01/651156301.db2.gz LDAWTCGYGBUWMA-CQSZACIVSA-N 0 1 282.403 2.816 20 30 CFEDMN C=C(C)CN1CCC[C@H](NC(=O)c2oc(CC)cc2C)C1 ZINC001009206628 651156774 /nfs/dbraw/zinc/15/67/74/651156774.db2.gz HIAVDTGZOAWWEU-AWEZNQCLSA-N 0 1 290.407 2.921 20 30 CFEDMN C=CCN1CCC[C@@H](NC(=O)c2ccc(F)cc2C)C1 ZINC001009290313 651158631 /nfs/dbraw/zinc/15/86/31/651158631.db2.gz WPSWGLPBIHJMIM-CQSZACIVSA-N 0 1 276.355 2.514 20 30 CFEDMN C=CCN1CCC[C@@H](NC(=O)Cc2ccc(Cl)cc2)C1 ZINC001009384458 651160297 /nfs/dbraw/zinc/16/02/97/651160297.db2.gz VXSSIJUBUFIWLM-OAHLLOKOSA-N 0 1 292.810 2.649 20 30 CFEDMN C=CCN1CCC[C@@H](NC(=O)c2cc(Cl)cn2CC)C1 ZINC001009563721 651161791 /nfs/dbraw/zinc/16/17/91/651161791.db2.gz ZCLBWXAWTFMHGF-CYBMUJFWSA-N 0 1 295.814 2.542 20 30 CFEDMN C=CCN1CCC[C@H](NC(=O)c2cc(C)c(F)c(C)c2)C1 ZINC001009568232 651161814 /nfs/dbraw/zinc/16/18/14/651161814.db2.gz ICZVHNMZRIUNAY-HNNXBMFYSA-N 0 1 290.382 2.823 20 30 CFEDMN C=C(C)CN1CCC[C@@H](NC(=O)c2c(C)nsc2C)C1 ZINC001009647138 651162351 /nfs/dbraw/zinc/16/23/51/651162351.db2.gz HMXNTOSFBWQSHG-CYBMUJFWSA-N 0 1 293.436 2.530 20 30 CFEDMN C=C(C)CN1CCC[C@@H](NC(=O)[C@@H]2CC3CCC2CC3)C1 ZINC001009653546 651163078 /nfs/dbraw/zinc/16/30/78/651163078.db2.gz YJSWPIDEWYVOHA-BHUNQDJPSA-N 0 1 290.451 2.969 20 30 CFEDMN C#CCCN1CCC[C@@H](NC(=O)c2ccoc2C(C)C)C1 ZINC001009693462 651163384 /nfs/dbraw/zinc/16/33/84/651163384.db2.gz USMHWQYNHGIHLY-CQSZACIVSA-N 0 1 288.391 2.621 20 30 CFEDMN C=CCN1CC[C@@H](NC(=O)c2cccc3ccc(C)nc32)C1 ZINC001014878320 651192668 /nfs/dbraw/zinc/19/26/68/651192668.db2.gz PBWYAZDPROPEIL-OAHLLOKOSA-N 0 1 295.386 2.533 20 30 CFEDMN C=CCN1CC[C@@H](NC(=O)Cc2c(C)cccc2Cl)C1 ZINC001015097317 651195172 /nfs/dbraw/zinc/19/51/72/651195172.db2.gz PHGKQEIDKULQIK-CYBMUJFWSA-N 0 1 292.810 2.567 20 30 CFEDMN C=CCN1CC[C@H](NC(=O)Cc2cccc(C(F)F)c2)C1 ZINC001015246480 651198147 /nfs/dbraw/zinc/19/81/47/651198147.db2.gz KBORLABYIOINHZ-AWEZNQCLSA-N 0 1 294.345 2.543 20 30 CFEDMN C=CCN1CC[C@@H](NC(=O)C[C@@H]2C[C@H]2Cc2ccccc2)C1 ZINC001015371968 651199999 /nfs/dbraw/zinc/19/99/99/651199999.db2.gz RYQOJLQEUSJKEC-FGTMMUONSA-N 0 1 298.430 2.632 20 30 CFEDMN C=CCN1CC[C@H](NC(=O)c2cc3c(ccc(C)c3C)[nH]2)C1 ZINC001015511076 651202480 /nfs/dbraw/zinc/20/24/80/651202480.db2.gz OYQXRAOGYWSSLY-AWEZNQCLSA-N 0 1 297.402 2.775 20 30 CFEDMN C=Cc1ccc(C(=O)N[C@@H]2CCN(CC(=C)C)C2)cc1 ZINC001015740624 651211593 /nfs/dbraw/zinc/21/15/93/651211593.db2.gz ZVHXDBZDBHQSTO-MRXNPFEDSA-N 0 1 270.376 2.710 20 30 CFEDMN C=C(C)CN1CC[C@H](NC(=O)c2cc(Cl)cs2)C1 ZINC001015789488 651213995 /nfs/dbraw/zinc/21/39/95/651213995.db2.gz ZIGZVSXSURLDFH-NSHDSACASA-N 0 1 284.812 2.782 20 30 CFEDMN C=CCN1CC[C@@H](NC(=O)c2cccc(C(C)C)c2)C1 ZINC001015943553 651217911 /nfs/dbraw/zinc/21/79/11/651217911.db2.gz OEJAVYWABUGISE-MRXNPFEDSA-N 0 1 272.392 2.800 20 30 CFEDMN C=CCN1CC[C@H](NC(=O)c2[nH]ccc2-c2ccccc2)C1 ZINC001015982247 651219648 /nfs/dbraw/zinc/21/96/48/651219648.db2.gz CUOSPZGOYWIRDC-HNNXBMFYSA-N 0 1 295.386 2.672 20 30 CFEDMN C=CCN1CC[C@H](NC(=O)c2ccc(CC(C)C)cc2)C1 ZINC001016204195 651228220 /nfs/dbraw/zinc/22/82/20/651228220.db2.gz AEIGJBHWMRSANG-KRWDZBQOSA-N 0 1 286.419 2.875 20 30 CFEDMN C=CCN1CC[C@H](NC(=O)c2c[nH]cc2-c2ccccc2)C1 ZINC001016248327 651228810 /nfs/dbraw/zinc/22/88/10/651228810.db2.gz AUMVQMHWOZFDOF-HNNXBMFYSA-N 0 1 295.386 2.672 20 30 CFEDMN C=CCN1CC[C@H](NC(=O)[C@]2(C)CCC(C)=C(C)C2)C1 ZINC001016375444 651232257 /nfs/dbraw/zinc/23/22/57/651232257.db2.gz WUHFNPNNXCKWSY-DOTOQJQBSA-N 0 1 276.424 2.890 20 30 CFEDMN C=C(C)CN1CC[C@H](NC(=O)[C@@]2(C)CCc3ccccc32)C1 ZINC001016375190 651232326 /nfs/dbraw/zinc/23/23/26/651232326.db2.gz MOCXAUWUFKEFQN-LPHOPBHVSA-N 0 1 298.430 2.657 20 30 CFEDMN CC#CCN1CC[C@H](NC(=O)C[C@@H]2CCCCC2(C)C)C1 ZINC001016422641 651233414 /nfs/dbraw/zinc/23/34/14/651233414.db2.gz AGXCYAMTEAZTQY-HOTGVXAUSA-N 0 1 290.451 2.807 20 30 CFEDMN C=CCN1CC[C@@H](NC(=O)C[C@H]2CCCCC2(C)C)C1 ZINC001016425821 651233844 /nfs/dbraw/zinc/23/38/44/651233844.db2.gz ALUHIRCVXQHZPM-HUUCEWRRSA-N 0 1 278.440 2.969 20 30 CFEDMN C=C1CCC(C(=O)N[C@@H]2CC23CCN(CCF)CC3)CC1 ZINC001016808588 651240836 /nfs/dbraw/zinc/24/08/36/651240836.db2.gz XJUUZJGNGUBARR-OAHLLOKOSA-N 0 1 294.414 2.673 20 30 CFEDMN C=C(C)CCN1C[C@H]2CC[C@@H](C1)N2C(=O)c1cocc1C ZINC001017811102 651258664 /nfs/dbraw/zinc/25/86/64/651258664.db2.gz KZRUIZOACWEGRB-GASCZTMLSA-N 0 1 288.391 2.843 20 30 CFEDMN C#CCCN1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1CCC[C@@H](C)C1 ZINC001017862643 651259982 /nfs/dbraw/zinc/25/99/82/651259982.db2.gz GFKMVLSOSWXTMJ-VQHPVUNQSA-N 0 1 288.435 2.511 20 30 CFEDMN C#CCCN1C[C@H]2CC[C@@H](C1)N2C(=O)c1cc(C)cc(C)c1 ZINC001018215260 651266643 /nfs/dbraw/zinc/26/66/43/651266643.db2.gz KDKKZBHNAJOGEP-HDICACEKSA-N 0 1 296.414 2.616 20 30 CFEDMN C=C(Cl)CN[C@H]1CCN(C(=O)CC2CCCCC2)C1 ZINC001018468763 651271903 /nfs/dbraw/zinc/27/19/03/651271903.db2.gz QODMPKKKUOXTQC-AWEZNQCLSA-N 0 1 284.831 2.900 20 30 CFEDMN CCCCCCNC(=O)C(C#N)C(=O)CCC1CC1 ZINC000115902552 651277413 /nfs/dbraw/zinc/27/74/13/651277413.db2.gz JATIABMLQCMNKC-CYBMUJFWSA-N 0 1 264.369 2.582 20 30 CFEDMN C=C(Cl)CN[C@H]1CCN(C(=O)[C@@H](C)c2cccs2)C1 ZINC001019371575 651284161 /nfs/dbraw/zinc/28/41/61/651284161.db2.gz JBXQFBHLTRDQKK-RYUDHWBXSA-N 0 1 298.839 2.795 20 30 CFEDMN C=CCNC(=O)C(C#N)C(=O)C[C@H](CC)CCCC ZINC000117532341 651286266 /nfs/dbraw/zinc/28/62/66/651286266.db2.gz WMZRYCNVFYYRID-OLZOCXBDSA-N 0 1 264.369 2.604 20 30 CFEDMN C=C(Cl)CN[C@H]1CCN(C(=O)c2ccoc2CCC)C1 ZINC001019650921 651288488 /nfs/dbraw/zinc/28/84/88/651288488.db2.gz UVQYNJQFTTVBOM-LBPRGKRZSA-N 0 1 296.798 2.789 20 30 CFEDMN C=CCCN1CC[C@H]1CN(C)C(=O)c1cnoc1C(C)C ZINC001085905510 782199000 /nfs/dbraw/zinc/19/90/00/782199000.db2.gz HQYALOJMUVFXKR-ZDUSSCGKSA-N 0 1 291.395 2.520 20 30 CFEDMN C=C(C)CN1CC[C@@H]1CN(C)C(=O)c1cccn1C(C)C ZINC001085974151 782222932 /nfs/dbraw/zinc/22/29/32/782222932.db2.gz NRHOWCFFXPCSHD-OAHLLOKOSA-N 0 1 289.423 2.791 20 30 CFEDMN C#CCCN1CC[C@@H]1CN(C)C(=O)C1CCC(C)(C)CC1 ZINC001085993947 782234726 /nfs/dbraw/zinc/23/47/26/782234726.db2.gz YGCPIURIQCFZDY-MRXNPFEDSA-N 0 1 290.451 2.759 20 30 CFEDMN COc1ccnc(-c2ccc(Cl)c(O)c2)c1C#N ZINC001243576778 782288476 /nfs/dbraw/zinc/28/84/76/782288476.db2.gz MYFHBZXURKVORO-UHFFFAOYSA-N 0 1 260.680 2.988 20 30 CFEDMN C=CCOCCNCc1cscc1Br ZINC000379494815 782278426 /nfs/dbraw/zinc/27/84/26/782278426.db2.gz XBLTVDUGIZOGMG-UHFFFAOYSA-N 0 1 276.199 2.803 20 30 CFEDMN C#CCN(C)CCNC(=O)[C@H](CCC)CC1CCCC1 ZINC001266332560 769973848 /nfs/dbraw/zinc/97/38/48/769973848.db2.gz RJGCQMCZCCWRHK-MRXNPFEDSA-N 0 1 278.440 2.664 20 30 CFEDMN C#CCCCC(=O)N[C@@H](C)[C@@H]1CCCN(CC(=C)Cl)C1 ZINC001266893408 770718880 /nfs/dbraw/zinc/71/88/80/770718880.db2.gz QQFKPRUIHLCZIQ-LSDHHAIUSA-N 0 1 296.842 2.759 20 30 CFEDMN CC#CC[N@H+](CC)CCNC(=O)C[C@@H](CC)C(C)C ZINC001267255574 775108113 /nfs/dbraw/zinc/10/81/13/775108113.db2.gz LOXWPTJLOIIUKP-OAHLLOKOSA-N 0 1 266.429 2.520 20 30 CFEDMN CC#CCN(CC)CCNC(=O)C[C@@H](CC)C(C)C ZINC001267255574 775108118 /nfs/dbraw/zinc/10/81/18/775108118.db2.gz LOXWPTJLOIIUKP-OAHLLOKOSA-N 0 1 266.429 2.520 20 30 CFEDMN C=C(C)CN1CCC[C@H]1CNC(=O)c1cc(C)c(CC)o1 ZINC001028257357 776762223 /nfs/dbraw/zinc/76/22/23/776762223.db2.gz XWGDTAUYPXIEFF-AWEZNQCLSA-N 0 1 290.407 2.921 20 30 CFEDMN C=CCN1CC[C@H](NC(=O)c2c(F)cccc2F)[C@H]1CC ZINC001087808188 777703286 /nfs/dbraw/zinc/70/32/86/777703286.db2.gz AVSKNOZAQKVVPR-UONOGXRCSA-N 0 1 294.345 2.734 20 30 CFEDMN CC#CCN1CC[C@H](NC(=O)c2ccc(C)cc2)[C@H]1CC ZINC001087808076 777704112 /nfs/dbraw/zinc/70/41/12/777704112.db2.gz WGDIZZFVMDJRQS-DLBZAZTESA-N 0 1 284.403 2.601 20 30 CFEDMN C=CCN(C)Cc1cc(Cl)cc(C(=O)OC)c1 ZINC001236776998 778931429 /nfs/dbraw/zinc/93/14/29/778931429.db2.gz ZNMMCFXRKTWPTM-UHFFFAOYSA-N 0 1 253.729 2.744 20 30 CFEDMN C=C(C)CN1CC(CNC(=O)c2cc3occc3s2)C1 ZINC001031972525 779691248 /nfs/dbraw/zinc/69/12/48/779691248.db2.gz RJQWIFQJIBWYKF-UHFFFAOYSA-N 0 1 290.388 2.732 20 30 CFEDMN CC#CCN1CCCC[C@@H](NC(=O)C2=CCCCCC2)C1 ZINC001034176499 780912365 /nfs/dbraw/zinc/91/23/65/780912365.db2.gz VGNXGZLLWOKNJC-QGZVFWFLSA-N 0 1 288.435 2.871 20 30 CFEDMN CC[C@@H](CC#N)N1CCN(Cc2ccccc2)[C@@H](C)C1 ZINC000396568880 769861797 /nfs/dbraw/zinc/86/17/97/769861797.db2.gz NPRJYVXHOJZDMP-RDJZCZTQSA-N 0 1 271.408 2.885 20 30 CFEDMN COCCCN1CCC(C#N)(c2ccccc2F)CC1 ZINC001209056068 769988352 /nfs/dbraw/zinc/98/83/52/769988352.db2.gz NJIQGVTYNRNABO-UHFFFAOYSA-N 0 1 276.355 2.719 20 30 CFEDMN N#C[C@@H]1CN(CCc2ccc(C(F)(F)F)cc2)CCC1=O ZINC001209126289 769999651 /nfs/dbraw/zinc/99/96/51/769999651.db2.gz RGHYCEAUMTZCTC-GFCCVEGCSA-N 0 1 296.292 2.662 20 30 CFEDMN C=CCCCN1CC[C@@H](NC(=O)OC(C)(C)C)[C@H](F)C1 ZINC001209156500 770008170 /nfs/dbraw/zinc/00/81/70/770008170.db2.gz BFHQRWHFDALHFS-CHWSQXEVSA-N 0 1 286.391 2.890 20 30 CFEDMN CC#CCN1CC[C@@H](NC(=O)[C@H](CCC)c2ccccc2)C1 ZINC001266355758 770013793 /nfs/dbraw/zinc/01/37/93/770013793.db2.gz NONOUFCTZJUHQI-QZTJIDSGSA-N 0 1 298.430 2.784 20 30 CFEDMN C=CCCCCCCCN1CCN(C)C(=O)[C@H]1C ZINC001209442391 770094003 /nfs/dbraw/zinc/09/40/03/770094003.db2.gz RJCGYINDXDIQDY-CQSZACIVSA-N 0 1 252.402 2.676 20 30 CFEDMN CC#CCN(CC)CCNC(=O)[C@@H]1CCCC[C@@H]1CC ZINC001266425713 770125006 /nfs/dbraw/zinc/12/50/06/770125006.db2.gz ZUKXQRFQWSVWGE-JKSUJKDBSA-N 0 1 278.440 2.664 20 30 CFEDMN Cc1c(C#N)c(N[C@H]2CC[N@H+](C)C2)nc2ccccc12 ZINC001167273004 770195704 /nfs/dbraw/zinc/19/57/04/770195704.db2.gz MLNSSRUVJBFUIL-LBPRGKRZSA-N 0 1 266.348 2.531 20 30 CFEDMN C=C1CC(C)(C(=O)NC[C@H]2CCCN2Cc2ccccn2)C1 ZINC001266483187 770199448 /nfs/dbraw/zinc/19/94/48/770199448.db2.gz PXHVXMXLJMUGEO-MRXNPFEDSA-N 0 1 299.418 2.519 20 30 CFEDMN C#CCN1CCC[C@@H]1CNC(=O)C1(CC(C)C)CCCC1 ZINC001266487364 770202975 /nfs/dbraw/zinc/20/29/75/770202975.db2.gz ZXKKQEDCIMJNMN-MRXNPFEDSA-N 0 1 290.451 2.807 20 30 CFEDMN COc1cc(CN2CCC3SC(=O)C=C3C2)ccc1C ZINC001140156221 770215025 /nfs/dbraw/zinc/21/50/25/770215025.db2.gz DFGNGZHTWJCPSC-OAHLLOKOSA-N 0 1 289.400 2.778 20 30 CFEDMN N#C[C@@H]1CN(Cc2cc3ccccc3s2)CCC1=O ZINC001137685642 770384142 /nfs/dbraw/zinc/38/41/42/770384142.db2.gz SPJCIQVOGNTVOY-GFCCVEGCSA-N 0 1 270.357 2.816 20 30 CFEDMN C#CCN(CCNC(=O)CC/C=C/c1ccccc1)C1CC1 ZINC001266609546 770421571 /nfs/dbraw/zinc/42/15/71/770421571.db2.gz QLDZLCDFIQYYIG-UXBLZVDNSA-N 0 1 296.414 2.694 20 30 CFEDMN Cn1cc(CN2CCC3(CCC(=O)CC3)CC2)cc1C#N ZINC001207110084 770440406 /nfs/dbraw/zinc/44/04/06/770440406.db2.gz CQHMMKVQNJHNER-UHFFFAOYSA-N 0 1 285.391 2.622 20 30 CFEDMN CN(CCNCC#Cc1ccccc1)C(=O)CC1CCCC1 ZINC001266631658 770460112 /nfs/dbraw/zinc/46/01/12/770460112.db2.gz FIEITPPIPFZXQL-UHFFFAOYSA-N 0 1 298.430 2.666 20 30 CFEDMN C=CCC(C)(C)C(=O)N(C)CCNCC#Cc1ccccc1 ZINC001266847049 770669569 /nfs/dbraw/zinc/66/95/69/770669569.db2.gz RXWQTOGQTHQNOR-UHFFFAOYSA-N 0 1 298.430 2.688 20 30 CFEDMN C#CCCCCCC(=O)NC[C@H]1CCCCN1CC#CC ZINC001266848908 770671457 /nfs/dbraw/zinc/67/14/57/770671457.db2.gz ICRAVGGTGYBUNE-QGZVFWFLSA-N 0 1 288.435 2.564 20 30 CFEDMN C=CCN1CCCC[C@H]1CNC(=O)C1(C)CC(F)(F)C1 ZINC001266855834 770680952 /nfs/dbraw/zinc/68/09/52/770680952.db2.gz GOWSPHOPMBYBNF-LBPRGKRZSA-N 0 1 286.366 2.579 20 30 CFEDMN CC#CCN1CCCC[C@@H]1CNC(=O)CCC1(C)CC1 ZINC001266857255 770684481 /nfs/dbraw/zinc/68/44/81/770684481.db2.gz KWZVIDLPDCRDFT-OAHLLOKOSA-N 0 1 276.424 2.561 20 30 CFEDMN C=CC(C)(C)C(=O)N1CCCC[C@H]1CNCC(=C)Cl ZINC001266874481 770709207 /nfs/dbraw/zinc/70/92/07/770709207.db2.gz MLRLIAYXCVCUFN-ZDUSSCGKSA-N 0 1 284.831 2.922 20 30 CFEDMN C#CCCCC(=O)N1CCCC[C@@H]1[C@H]1CCCN1CCF ZINC001266886628 770715417 /nfs/dbraw/zinc/71/54/17/770715417.db2.gz ONCBVHFVNVJUIL-HZPDHXFCSA-N 0 1 294.414 2.605 20 30 CFEDMN C=C[C@@H](CC)CC(=O)NC[C@H](C)NCC#Cc1ccccc1 ZINC001266964923 770774668 /nfs/dbraw/zinc/77/46/68/770774668.db2.gz SBNAAGPVQIENJY-IRXDYDNUSA-N 0 1 298.430 2.735 20 30 CFEDMN C#CCN1CC[C@H]2CC[C@@H](C1)N2C(=O)c1cc(C)cc(C)c1 ZINC001039463566 770777830 /nfs/dbraw/zinc/77/78/30/770777830.db2.gz WODKTQXTQPDIHV-MSOLQXFVSA-N 0 1 296.414 2.616 20 30 CFEDMN C#Cc1cccc(NC(=O)CN(C)CC/C=C\CC)c1 ZINC000588475777 770794688 /nfs/dbraw/zinc/79/46/88/770794688.db2.gz JOZNCYHRZXVYOY-SREVYHEPSA-N 0 1 270.376 2.895 20 30 CFEDMN C=CCN1CCCO[C@H](CNC(=O)[C@@H](CC)CCCC)C1 ZINC001149262354 770822662 /nfs/dbraw/zinc/82/26/62/770822662.db2.gz FSPWEXNQMIZEOF-JKSUJKDBSA-N 0 1 296.455 2.596 20 30 CFEDMN Cc1ncsc1/C=C\C(=O)Nc1cc(C#N)ccc1O ZINC000588522374 770927878 /nfs/dbraw/zinc/92/78/78/770927878.db2.gz UKVMETBFKMRACC-PLNGDYQASA-N 0 1 285.328 2.681 20 30 CFEDMN Cc1cc(C(=O)Nc2cc(C#N)ccc2O)cc([N+](=O)[O-])c1 ZINC000176392834 773220497 /nfs/dbraw/zinc/22/04/97/773220497.db2.gz FKRCBVUTXXKLNZ-UHFFFAOYSA-N 0 1 297.270 2.733 20 30 CFEDMN CC#CCN(CC)CCNC(=O)CC1CCCCCC1 ZINC001267250238 775101315 /nfs/dbraw/zinc/10/13/15/775101315.db2.gz FOQHYNXSZXVQIL-UHFFFAOYSA-N 0 1 278.440 2.808 20 30 CFEDMN C=C1O[C@H](CC)C(=O)C1OCCc1ccc2c(c1)CCO2 ZINC001224519469 775209391 /nfs/dbraw/zinc/20/93/91/775209391.db2.gz IYNBNCVEZLYPAK-CQSZACIVSA-N 0 1 288.343 2.790 20 30 CFEDMN C=C(C)[C@@H]1CC[C@@H](C)C[C@@H]1OCCN1CCN(C)CC1 ZINC001224549829 775218340 /nfs/dbraw/zinc/21/83/40/775218340.db2.gz PVAYBEIYMPZGJG-IKGGRYGDSA-N 0 1 280.456 2.631 20 30 CFEDMN CC#CCN(CCNC(=O)C[C@@H](C)CC(C)C)C1CC1 ZINC001267336663 775220928 /nfs/dbraw/zinc/22/09/28/775220928.db2.gz VUKAMMVNGNLSNU-HNNXBMFYSA-N 0 1 278.440 2.663 20 30 CFEDMN CN(CCNCc1ccccc1C#N)C(=O)CC(C)(C)C ZINC001267347266 775235310 /nfs/dbraw/zinc/23/53/10/775235310.db2.gz QTSMOYSXLIMLQU-UHFFFAOYSA-N 0 1 287.407 2.542 20 30 CFEDMN CN(C)Cc1cccc(NCCc2ccc(C#N)cc2)n1 ZINC001167678656 775324712 /nfs/dbraw/zinc/32/47/12/775324712.db2.gz SVTBTJBZUHJZIR-UHFFFAOYSA-N 0 1 280.375 2.669 20 30 CFEDMN C=CCN1CC[C@H](N(CCC)C(=O)C[C@H](C)SC)C1 ZINC001267453280 775330601 /nfs/dbraw/zinc/33/06/01/775330601.db2.gz AVRLJPWOADAWPF-KBPBESRZSA-N 0 1 284.469 2.627 20 30 CFEDMN C=C1O[C@H](CC)C(=O)C1OC[C@@H](C)NC(=O)OC(C)(C)C ZINC001225159812 775357632 /nfs/dbraw/zinc/35/76/32/775357632.db2.gz UWCXHNOPFAKPDC-MWLCHTKSSA-N 0 1 299.367 2.526 20 30 CFEDMN C=C/C(C)=C\CC(=O)N(CCC)[C@H]1CCN(CC#CC)C1 ZINC001267475676 775374052 /nfs/dbraw/zinc/37/40/52/775374052.db2.gz PFZHGKWKWRWZCY-STKCSNAVSA-N 0 1 288.435 2.845 20 30 CFEDMN CC#CCN[C@@H](CNC(=O)C(C)(C)C1CC1)c1ccccc1 ZINC001267519572 775415128 /nfs/dbraw/zinc/41/51/28/775415128.db2.gz KCVQGEIYRNKXDM-KRWDZBQOSA-N 0 1 298.430 2.893 20 30 CFEDMN CC#CCN[C@@H](CNC(=O)C[C@H](C)C1CC1)c1ccccc1 ZINC001267526972 775424475 /nfs/dbraw/zinc/42/44/75/775424475.db2.gz VUJHXOGTSXWYTD-YJBOKZPZSA-N 0 1 298.430 2.893 20 30 CFEDMN C=CCN1CCCC[C@@H]1CNC(=O)c1c(C)cccc1F ZINC001024822090 775430250 /nfs/dbraw/zinc/43/02/50/775430250.db2.gz XSAPVAQMIBXWBV-CQSZACIVSA-N 0 1 290.382 2.904 20 30 CFEDMN COc1ccc(CN2CC[C@@H](c3cccnc3)C2)c(C#N)c1 ZINC001137703635 775430750 /nfs/dbraw/zinc/43/07/50/775430750.db2.gz RSJPCVQGSPNQIS-MRXNPFEDSA-N 0 1 293.370 2.951 20 30 CFEDMN Cc1cc(C(C)(C)C)ccc1O[C@@H]1CNC[C@H]1C#N ZINC001218201721 775499387 /nfs/dbraw/zinc/49/93/87/775499387.db2.gz UMRWEUYCSNFEHF-IUODEOHRSA-N 0 1 258.365 2.783 20 30 CFEDMN C=C(Cl)CN1CCC[C@@H]1[C@H]1CCCCN1C(C)=O ZINC001025178766 775555462 /nfs/dbraw/zinc/55/54/62/775555462.db2.gz HKGQMJLJIDEPPY-ZIAGYGMSSA-N 0 1 270.804 2.604 20 30 CFEDMN C=C(Cl)CN1CCC[C@@H]1[C@@H]1CCCCN1C(=O)C1CC1 ZINC001025182577 775556339 /nfs/dbraw/zinc/55/63/39/775556339.db2.gz FTPOHMFZXVOIBR-CABCVRRESA-N 0 1 296.842 2.994 20 30 CFEDMN C=C1O[C@H](C)C(=O)C1Oc1ccc(CCC(C)=O)cc1 ZINC001225695406 775563070 /nfs/dbraw/zinc/56/30/70/775563070.db2.gz DTMUADDSBPKPCT-LLVKDONJSA-N 0 1 274.316 2.806 20 30 CFEDMN C=C1O[C@@H](C)C(=O)C1Oc1cccc(C(F)(F)F)n1 ZINC001225705038 775567358 /nfs/dbraw/zinc/56/73/58/775567358.db2.gz JZEROTGEARCRNH-LURJTMIESA-N 0 1 273.210 2.699 20 30 CFEDMN C[C@H](Nc1cc(N)c(F)cn1)c1cccc(C#N)c1 ZINC001167707369 775576772 /nfs/dbraw/zinc/57/67/72/775576772.db2.gz RXSRFNQJMYICSX-VIFPVBQESA-N 0 1 256.284 2.848 20 30 CFEDMN C=C(Cl)CN1CCC[C@H]([C@@H](C)NC(=O)c2ccc[nH]2)C1 ZINC001025339052 775614067 /nfs/dbraw/zinc/61/40/67/775614067.db2.gz DCDXWGAEASTPGH-OLZOCXBDSA-N 0 1 295.814 2.598 20 30 CFEDMN CC#CCN1CCC[C@@H](NC(=O)CC2(C)CCCC2)C1 ZINC001267614021 775676992 /nfs/dbraw/zinc/67/69/92/775676992.db2.gz AEUFTYXPVYVSRV-OAHLLOKOSA-N 0 1 276.424 2.561 20 30 CFEDMN C#CCCN1CCC[C@@H](NC(=O)[C@@](C)(F)CCCC)C1 ZINC001267615790 775680609 /nfs/dbraw/zinc/68/06/09/775680609.db2.gz UMZTUEOGGYQGHR-ZBFHGGJFSA-N 0 1 282.403 2.509 20 30 CFEDMN C=C1CCC(C(=O)N[C@@H](C)[C@H]2CCCN(CCF)C2)CC1 ZINC001025525132 775690683 /nfs/dbraw/zinc/69/06/83/775690683.db2.gz YGTQLKKRFLETLE-HOCLYGCPSA-N 0 1 296.430 2.919 20 30 CFEDMN C=CCC[C@@H](C)N1CC(NC(=O)C(CC)CC)C1 ZINC001267636613 775724830 /nfs/dbraw/zinc/72/48/30/775724830.db2.gz KILFNTKPXUONDB-GFCCVEGCSA-N 0 1 252.402 2.578 20 30 CFEDMN C=CCC[C@H](C)N1CC(NC(=O)[C@](C)(C=C)CC)C1 ZINC001267659590 775757869 /nfs/dbraw/zinc/75/78/69/775757869.db2.gz XVZCEIYMLBWBCP-XJKSGUPXSA-N 0 1 264.413 2.744 20 30 CFEDMN C#C[C@@H]1CCC[C@H]1Oc1[nH]c(=O)nc2nc(Cl)ccc21 ZINC001226556583 775872562 /nfs/dbraw/zinc/87/25/62/775872562.db2.gz PRLOVABOSDSGFX-PSASIEDQSA-N 0 1 289.722 2.565 20 30 CFEDMN CCC#C[C@@H](C)Oc1[nH]c(=O)nc2nc(Cl)ccc21 ZINC001226556359 775873313 /nfs/dbraw/zinc/87/33/13/775873313.db2.gz LWJXXUJTJSMMTA-MRVPVSSYSA-N 0 1 277.711 2.565 20 30 CFEDMN C#CCN1CC[C@@H](N(C)C(=O)CC[C@@H](C)c2ccccc2)C1 ZINC001267774076 775913232 /nfs/dbraw/zinc/91/32/32/775913232.db2.gz TYFQVFIEABXACQ-SJLPKXTDSA-N 0 1 298.430 2.736 20 30 CFEDMN C=CCN1CC[C@H](N(CC)C(=O)[C@@H](C)c2ccsc2)C1 ZINC001267789397 775931489 /nfs/dbraw/zinc/93/14/89/775931489.db2.gz HMTMBSYOIJHWGL-ZFWWWQNUSA-N 0 1 292.448 2.960 20 30 CFEDMN C[C@@H](CC(C)(C)S)Oc1nc2[nH]cnc2c(=S)[nH]1 ZINC001226781398 775961026 /nfs/dbraw/zinc/96/10/26/775961026.db2.gz GHFNRSLLCCKAOO-LURJTMIESA-N 0 1 284.410 2.507 20 30 CFEDMN C=C(C)C[C@@H](Oc1nc2[nH]cnc2c(=S)[nH]1)C(=C)C ZINC001226785722 775962916 /nfs/dbraw/zinc/96/29/16/775962916.db2.gz NYIZEHWEMLGRDN-SECBINFHSA-N 0 1 276.365 2.931 20 30 CFEDMN C=C1O[C@@H](C)C(=O)C1Oc1cnc(Cl)cc1Cl ZINC001226895024 776006329 /nfs/dbraw/zinc/00/63/29/776006329.db2.gz VNSSZDQKIQJLML-YFKPBYRVSA-N 0 1 274.103 2.987 20 30 CFEDMN C=CC[C@@H](CCCC)Oc1[nH]c(=O)nc2cnccc21 ZINC001226976250 776043774 /nfs/dbraw/zinc/04/37/74/776043774.db2.gz JDDUOGQETCJPOH-NSHDSACASA-N 0 1 273.336 2.832 20 30 CFEDMN CC(C)[N@H+]1CCC[C@@H](Oc2cc(C#N)ccc2F)C1 ZINC001227058196 776078465 /nfs/dbraw/zinc/07/84/65/776078465.db2.gz NOWPGIDUGRQPJS-CYBMUJFWSA-N 0 1 262.328 2.949 20 30 CFEDMN C=C[C@@H](CC)Oc1[nH]c(=O)nc2ccc([N+](=O)[O-])cc21 ZINC001227094464 776093819 /nfs/dbraw/zinc/09/38/19/776093819.db2.gz BSMVXWWRRPTVDD-VIFPVBQESA-N 0 1 275.264 2.587 20 30 CFEDMN N#Cc1ccc2nc(O[C@H]3CC(F)(F)C3(F)F)[nH]c2c1 ZINC001227218888 776141938 /nfs/dbraw/zinc/14/19/38/776141938.db2.gz IMVKBGADFRAYEX-VIFPVBQESA-N 0 1 285.200 2.856 20 30 CFEDMN N#Cc1ccc2nc(OCCOC3CCCC3)[nH]c2c1 ZINC001227219145 776142271 /nfs/dbraw/zinc/14/22/71/776142271.db2.gz LAKLFAGDEQBDSI-UHFFFAOYSA-N 0 1 271.320 2.773 20 30 CFEDMN CC[C@H](C#CC(=O)OC)Oc1nc2ccc(Cl)cc2[nH]1 ZINC001227265630 776162597 /nfs/dbraw/zinc/16/25/97/776162597.db2.gz DDXBRYFKBLFOHX-SNVBAGLBSA-N 0 1 292.722 2.550 20 30 CFEDMN C=C(C)C[C@H](Oc1[nH]c(=O)nc2[nH]ccc21)C(=C)C ZINC001227272609 776166885 /nfs/dbraw/zinc/16/68/85/776166885.db2.gz DRQCJFSKPWVEOU-NSHDSACASA-N 0 1 259.309 2.953 20 30 CFEDMN C#C[C@@H]1CCC[C@@H]1Oc1[nH]c(=O)nc2ccc(C)cc21 ZINC001227347601 776181456 /nfs/dbraw/zinc/18/14/56/776181456.db2.gz RBLWMGIJGOWCGV-RISCZKNCSA-N 0 1 268.316 2.825 20 30 CFEDMN C#C[C@H]1CCC[C@H]1Oc1[nH]c(=O)nc2ccc(C)cc21 ZINC001227347604 776181618 /nfs/dbraw/zinc/18/16/18/776181618.db2.gz RBLWMGIJGOWCGV-SMDDNHRTSA-N 0 1 268.316 2.825 20 30 CFEDMN C=C1O[C@@H](CC)C(=O)C1Oc1ccc(C(=O)OCC)cc1 ZINC001227443284 776204632 /nfs/dbraw/zinc/20/46/32/776204632.db2.gz VBZHGPODOGGQMS-ZDUSSCGKSA-N 0 1 290.315 2.852 20 30 CFEDMN N#Cc1ccccc1CN1CC[C@@H](Oc2ccc(O)cc2)C1 ZINC001227442657 776204799 /nfs/dbraw/zinc/20/47/99/776204799.db2.gz PQRPGGDIISSTEQ-GOSISDBHSA-N 0 1 294.354 2.917 20 30 CFEDMN C=CCC[C@H](CC)Oc1nc(=O)[nH]c2c1CO[C@@H]2C ZINC001227715854 776268067 /nfs/dbraw/zinc/26/80/67/776268067.db2.gz HRCGTYXKPFOXQB-ZJUUUORDSA-N 0 1 264.325 2.897 20 30 CFEDMN C#C[C@@H](Oc1[nH]c(=O)nc2sccc21)c1ccncc1 ZINC001227845923 776307246 /nfs/dbraw/zinc/30/72/46/776307246.db2.gz OMZUWBNUWAGEFE-LLVKDONJSA-N 0 1 283.312 2.545 20 30 CFEDMN C=CCN1CC[C@H](c2ccccc2)[C@H](NC(=O)C2CCC2)C1 ZINC001087418897 776307229 /nfs/dbraw/zinc/30/72/29/776307229.db2.gz DFRXAFCNVVEUON-QZTJIDSGSA-N 0 1 298.430 2.947 20 30 CFEDMN C=C1O[C@@H](CC)C(=O)C1Oc1ccc(F)c(OC)c1F ZINC001227891719 776319076 /nfs/dbraw/zinc/31/90/76/776319076.db2.gz NKEPIMVCCTYSSR-VIFPVBQESA-N 0 1 284.258 2.962 20 30 CFEDMN CC#CCN1CCC(NC(=O)[C@H](C)C(CC)CC)CC1 ZINC001228115177 776400071 /nfs/dbraw/zinc/40/00/71/776400071.db2.gz ZXZNTYIZYZVFNB-CQSZACIVSA-N 0 1 278.440 2.663 20 30 CFEDMN CC#CCN1CCC(NC(=O)C2(CC(C)C)CCC2)CC1 ZINC001228243532 776431850 /nfs/dbraw/zinc/43/18/50/776431850.db2.gz NWSDKFKBKPIPAI-UHFFFAOYSA-N 0 1 290.451 2.807 20 30 CFEDMN C=CCc1cc(OC)c(O[C@H]2CCCN(C)C2)c(OC)c1 ZINC001228427200 776487797 /nfs/dbraw/zinc/48/77/97/776487797.db2.gz CXIJQBKXMMMFBQ-AWEZNQCLSA-N 0 1 291.391 2.905 20 30 CFEDMN C=C[C@@H](CCC)Oc1nc(Cl)nc2nc[nH]c21 ZINC001228510789 776509140 /nfs/dbraw/zinc/50/91/40/776509140.db2.gz XFRBXIPSGNAJEG-ZETCQYMHSA-N 0 1 252.705 2.740 20 30 CFEDMN C#C[C@H](CCCC)Oc1nc(C2CC2)[nH]c(=O)c1[N+](=O)[O-] ZINC001228609284 776538847 /nfs/dbraw/zinc/53/88/47/776538847.db2.gz CGERWYFPYBXCJJ-SNVBAGLBSA-N 0 1 291.307 2.539 20 30 CFEDMN C=C(Cl)CNC[C@H](C)N(C)C(=O)[C@]1(C)C=CCC1 ZINC001268079083 776543546 /nfs/dbraw/zinc/54/35/46/776543546.db2.gz OTYOKHQQQUPLFX-GXTWGEPZSA-N 0 1 270.804 2.532 20 30 CFEDMN C=C(C)CN1CCC[C@@H]1CNC(=O)c1cc2cnccc2o1 ZINC001027998469 776548289 /nfs/dbraw/zinc/54/82/89/776548289.db2.gz NOANCGKHYBXEPY-CQSZACIVSA-N 0 1 299.374 2.598 20 30 CFEDMN N#C[C@H](Oc1ccc2[nH]nnc2c1)c1ccccc1F ZINC001228662269 776557406 /nfs/dbraw/zinc/55/74/06/776557406.db2.gz DYQAQGYGYLREBF-AWEZNQCLSA-N 0 1 268.251 2.741 20 30 CFEDMN C=CC[N@H+]1CCC[C@H]1CNC(=O)[C@H]1CC[C@@H]2C[C@@H]2CC1 ZINC001028043575 776569219 /nfs/dbraw/zinc/56/92/19/776569219.db2.gz RYSKLGXXRYNVTF-FZKCQIBNSA-N 0 1 276.424 2.579 20 30 CFEDMN C=C[C@H](C)[C@@H](C)C(=O)NC1CCN(C/C=C/Cl)CC1 ZINC001228749281 776597611 /nfs/dbraw/zinc/59/76/11/776597611.db2.gz RJKARNDAFSUMTH-DGYDABPTSA-N 0 1 284.831 2.778 20 30 CFEDMN C=CCN1CCC[C@H]1CNC(=O)c1cc2ccccc2n1C ZINC001028104905 776624107 /nfs/dbraw/zinc/62/41/07/776624107.db2.gz NWNNIKOXEGANES-HNNXBMFYSA-N 0 1 297.402 2.559 20 30 CFEDMN CC#CCN1CCC(NC(=O)C2(CCCC)CC2)CC1 ZINC001229023782 776692335 /nfs/dbraw/zinc/69/23/35/776692335.db2.gz DKTBZLWFBXUNPL-UHFFFAOYSA-N 0 1 276.424 2.561 20 30 CFEDMN C=C1O[C@H](CC)C(=O)C1Oc1ccnc(OC(F)F)c1 ZINC001229091342 776715044 /nfs/dbraw/zinc/71/50/44/776715044.db2.gz ZQBASJQNYMQRTN-SECBINFHSA-N 0 1 285.246 2.671 20 30 CFEDMN C=CCC[C@@H](C)N1CC(NC(=O)c2cccc(C)c2)C1 ZINC001268247786 776720143 /nfs/dbraw/zinc/72/01/43/776720143.db2.gz FJAOCOVNEAZTNQ-CQSZACIVSA-N 0 1 272.392 2.764 20 30 CFEDMN CC#CCN(C)CCN(C)C(=O)c1ccccc1C1(C)CC1 ZINC001268248670 776720402 /nfs/dbraw/zinc/72/04/02/776720402.db2.gz GHSRNKIWJLZFCV-UHFFFAOYSA-N 0 1 298.430 2.765 20 30 CFEDMN C=CCCC(=O)N1CC[C@H]2[C@H](CCN2CC(=C)Cl)C1 ZINC001268262845 776728847 /nfs/dbraw/zinc/72/88/47/776728847.db2.gz MVYNMLZMMREMPW-KGLIPLIRSA-N 0 1 282.815 2.628 20 30 CFEDMN C=CCC[C@H](C)N1CC(NC(=O)[C@@H](C)CCCC)C1 ZINC001268296507 776742434 /nfs/dbraw/zinc/74/24/34/776742434.db2.gz NZYKLOQGJBCCNT-KBPBESRZSA-N 0 1 266.429 2.968 20 30 CFEDMN C#CCN1CCC[C@H]1CNC(=O)c1cccc2ccsc21 ZINC001028241784 776744287 /nfs/dbraw/zinc/74/42/87/776744287.db2.gz UEBJVKCYAYSEIQ-AWEZNQCLSA-N 0 1 298.411 2.729 20 30 CFEDMN C=CCC[C@H](C)N1CC(NC(=O)[C@@H](CC)CC(F)F)C1 ZINC001268317189 776746652 /nfs/dbraw/zinc/74/66/52/776746652.db2.gz GLOOXTJLFIRMOG-RYUDHWBXSA-N 0 1 288.382 2.823 20 30 CFEDMN C=CCC[C@H](C)N1CC(NC(=O)c2cccnc2C2CC2)C1 ZINC001268331866 776749461 /nfs/dbraw/zinc/74/94/61/776749461.db2.gz JLKNIGBLERFBOH-ZDUSSCGKSA-N 0 1 299.418 2.728 20 30 CFEDMN C=C(C)C(C)(C)C(=O)N[C@@H](C)CCNCc1coc(C)n1 ZINC001268388380 776779556 /nfs/dbraw/zinc/77/95/56/776779556.db2.gz BIFBJPOLFSQFCN-LBPRGKRZSA-N 0 1 293.411 2.570 20 30 CFEDMN CCN(CCNCC#Cc1ccccc1)C(=O)C1(C)CCC1 ZINC001268471254 776857937 /nfs/dbraw/zinc/85/79/37/776857937.db2.gz MJGISJVSDSIKOF-UHFFFAOYSA-N 0 1 298.430 2.666 20 30 CFEDMN CN(C)Cc1cc(F)ccc1O[C@@H]1CC[C@@H](C#N)C1 ZINC001229855528 776904885 /nfs/dbraw/zinc/90/48/85/776904885.db2.gz ZDFJANWZXSIMRA-BXUZGUMPSA-N 0 1 262.328 2.958 20 30 CFEDMN C=C(C)C(=O)OC[C@H](C)Oc1ccc(F)cc1CN(C)C ZINC001229855553 776905164 /nfs/dbraw/zinc/90/51/64/776905164.db2.gz ZTBDPRCUXCDPJX-LBPRGKRZSA-N 0 1 295.354 2.774 20 30 CFEDMN C=C(Cl)CNC/C=C\CNC(=O)C1CCC2(CC2)CC1 ZINC001268568572 776938025 /nfs/dbraw/zinc/93/80/25/776938025.db2.gz UYCOXOLHBXINCG-IHWYPQMZSA-N 0 1 296.842 2.971 20 30 CFEDMN C[C@H](c1ccccn1)N1CC[C@@H](Oc2cccc(C#N)n2)C1 ZINC001230043805 776949180 /nfs/dbraw/zinc/94/91/80/776949180.db2.gz SDBJMVQVALGOQU-UKRRQHHQSA-N 0 1 294.358 2.563 20 30 CFEDMN CC#CCN1CCC(NC(=O)C[C@@H](C)c2ccccc2)CC1 ZINC001230189212 776957499 /nfs/dbraw/zinc/95/74/99/776957499.db2.gz WEYBHZXVOTWWMR-MRXNPFEDSA-N 0 1 298.430 2.784 20 30 CFEDMN CN(Cc1ccc(C#N)cc1)Cc1ccc2[nH]c(=O)[nH]c2c1 ZINC001204730928 776977786 /nfs/dbraw/zinc/97/77/86/776977786.db2.gz YJVMQIDZYGFVMP-UHFFFAOYSA-N 0 1 292.342 2.772 20 30 CFEDMN C=C1CC(C)(C(=O)N[C@@H](C)CNCc2ccccc2C#N)C1 ZINC001268703621 777025648 /nfs/dbraw/zinc/02/56/48/777025648.db2.gz ORYZXEZPZBUPQW-AWEZNQCLSA-N 0 1 297.402 2.509 20 30 CFEDMN C#CCN(C)C[C@@H](C)NC(=O)C(C)(C)C1CCCCC1 ZINC001268750176 777044378 /nfs/dbraw/zinc/04/43/78/777044378.db2.gz IZDNBOLQLJHROL-CQSZACIVSA-N 0 1 278.440 2.663 20 30 CFEDMN C#CCN(C)C[C@@H](C)NC(=O)C[C@H]1CCCc2ccccc21 ZINC001268753361 777045507 /nfs/dbraw/zinc/04/55/07/777045507.db2.gz UFBQRIZSXMYPAH-NVXWUHKLSA-N 0 1 298.430 2.566 20 30 CFEDMN C#CCCN1CC[C@H]1CN(C)C(=O)CC1CCCCC1 ZINC001230701205 777046472 /nfs/dbraw/zinc/04/64/72/777046472.db2.gz CMDNWUBBJXDIGD-INIZCTEOSA-N 0 1 276.424 2.513 20 30 CFEDMN C=CC(C)(C)CC(=O)N(C)CCCNCc1cscn1 ZINC001268796635 777056741 /nfs/dbraw/zinc/05/67/41/777056741.db2.gz XYWKFNPIXJEHME-UHFFFAOYSA-N 0 1 295.452 2.684 20 30 CFEDMN C=CCN1CC(CNC(=O)Cc2coc3ccc(C)cc23)C1 ZINC001268833379 777063714 /nfs/dbraw/zinc/06/37/14/777063714.db2.gz NLWRMMWLSSOJII-UHFFFAOYSA-N 0 1 298.386 2.518 20 30 CFEDMN C#CCCN1CC[C@@H]1CN(C)C(=O)[C@H](CC)CCCC ZINC001230844372 777074013 /nfs/dbraw/zinc/07/40/13/777074013.db2.gz KFFMSPOWBCGDPU-HZPDHXFCSA-N 0 1 278.440 2.759 20 30 CFEDMN C=CC[C@H](C=C)Oc1[nH]c(=O)nc2cc(F)ccc21 ZINC001230884792 777081654 /nfs/dbraw/zinc/08/16/54/777081654.db2.gz SBCOYRAGGLNVTJ-JTQLQIEISA-N 0 1 260.268 2.984 20 30 CFEDMN C#C[C@H](CC)Oc1[nH]c(=O)nc2cccc(Cl)c21 ZINC001230884878 777082358 /nfs/dbraw/zinc/08/23/58/777082358.db2.gz HSLFEJHJGPGAKK-MRVPVSSYSA-N 0 1 262.696 2.779 20 30 CFEDMN C=CC[C@@H](Oc1nc(Cl)nc2[nH]ncc21)C(C)C ZINC001231049294 777124701 /nfs/dbraw/zinc/12/47/01/777124701.db2.gz ZKJXFVHIZCXFTO-SECBINFHSA-N 0 1 266.732 2.986 20 30 CFEDMN C[C@H](CC(C)(C)S)Oc1nc(Cl)nc2[nH]ncc21 ZINC001231048458 777125430 /nfs/dbraw/zinc/12/54/30/777125430.db2.gz OKPBPRHWQFIEBT-ZCFIWIBFSA-N 0 1 286.788 2.872 20 30 CFEDMN C#C[C@@H](CCC)Oc1[nH]c(=O)nc2cccc(F)c21 ZINC001231074981 777133921 /nfs/dbraw/zinc/13/39/21/777133921.db2.gz UUAJYQJWDUTDOV-VIFPVBQESA-N 0 1 260.268 2.655 20 30 CFEDMN C=CCCC(=O)NC[C@H]1CCN1Cc1cccc(C)c1 ZINC001269206210 777138477 /nfs/dbraw/zinc/13/84/77/777138477.db2.gz SVRRKXNAPBHXCQ-MRXNPFEDSA-N 0 1 272.392 2.652 20 30 CFEDMN C=C(C)C[N@H+]1CC[C@H]1CNC(=O)CCCc1ccccc1 ZINC001269284097 777159505 /nfs/dbraw/zinc/15/95/05/777159505.db2.gz AMXDKDKCHDAPLS-KRWDZBQOSA-N 0 1 286.419 2.776 20 30 CFEDMN C=C(C)CN1CC[C@H]1CNC(=O)CCCc1ccccc1 ZINC001269284097 777159507 /nfs/dbraw/zinc/15/95/07/777159507.db2.gz AMXDKDKCHDAPLS-KRWDZBQOSA-N 0 1 286.419 2.776 20 30 CFEDMN C=CCN1CC[C@@H](N(CC)C(=O)[C@H](F)c2ccccc2)C1 ZINC001269344046 777175353 /nfs/dbraw/zinc/17/53/53/777175353.db2.gz ABVFWNQQBZREIA-HZPDHXFCSA-N 0 1 290.382 2.806 20 30 CFEDMN C#CCN1CC[C@@H](N(CC)C(=O)C[C@@H](C)CC(C)C)C1 ZINC001269347594 777176181 /nfs/dbraw/zinc/17/61/81/777176181.db2.gz ACIYFLKUKCNDLF-JKSUJKDBSA-N 0 1 278.440 2.615 20 30 CFEDMN C=CCC(CC=C)Oc1nc(C)cc(O)c1[N+](=O)[O-] ZINC001231258639 777179247 /nfs/dbraw/zinc/17/92/47/777179247.db2.gz BJQJNASASTYYII-UHFFFAOYSA-N 0 1 264.281 2.903 20 30 CFEDMN C=C(C)CN1CC[C@H]1CN(C)C(=O)CC1=CCCCC1 ZINC001231262771 777180394 /nfs/dbraw/zinc/18/03/94/777180394.db2.gz IAVWPKBJNBOOGI-INIZCTEOSA-N 0 1 276.424 2.986 20 30 CFEDMN C=CCCCC[N@H+](C)Cc1ccc(C(=O)[O-])cc1O ZINC001231454230 777223197 /nfs/dbraw/zinc/22/31/97/777223197.db2.gz PGLMGLILPGKHEA-UHFFFAOYSA-N 0 1 263.337 2.879 20 30 CFEDMN C=CCC1(C(=O)N2CC[C@@]3(CCN(CCF)C3)C2)CCC1 ZINC001269736971 777238965 /nfs/dbraw/zinc/23/89/65/777238965.db2.gz OZZPFWODWFBBGG-MRXNPFEDSA-N 0 1 294.414 2.627 20 30 CFEDMN C#Cc1cccc(CN2CCc3c(O)cccc3C2)c1 ZINC001231658579 777296665 /nfs/dbraw/zinc/29/66/65/777296665.db2.gz ZSDHANAUBAAMDG-UHFFFAOYSA-N 0 1 263.340 2.932 20 30 CFEDMN C=CCCN1CC(N(C)C(=O)CCC2CCCC2)C1 ZINC001277548617 777302045 /nfs/dbraw/zinc/30/20/45/777302045.db2.gz MCSVVTJACIVJDW-UHFFFAOYSA-N 0 1 264.413 2.676 20 30 CFEDMN C#Cc1cccc(CN2CCN(c3cc(C)ccn3)CC2)c1 ZINC001231664289 777302088 /nfs/dbraw/zinc/30/20/88/777302088.db2.gz YPHQIQRNIUKTHO-UHFFFAOYSA-N 0 1 291.398 2.694 20 30 CFEDMN C=C(Cl)CNC[C@H]1CCCN1C(=O)C(C)=C1CCC1 ZINC001270206009 777330313 /nfs/dbraw/zinc/33/03/13/777330313.db2.gz RGQXSCVHWGVAGY-CQSZACIVSA-N 0 1 282.815 2.820 20 30 CFEDMN CC(=O)[C@@H]1CCCCN1Cc1ccc(N(C)CCC#N)cc1 ZINC001231821033 777342608 /nfs/dbraw/zinc/34/26/08/777342608.db2.gz NXBJFUVGFGKNHD-SFHVURJKSA-N 0 1 299.418 2.980 20 30 CFEDMN C#CCCCC(=O)N(C)C1CN(CCCCCC)C1 ZINC001277587269 777382831 /nfs/dbraw/zinc/38/28/31/777382831.db2.gz YOMBPWBXRYVHGT-UHFFFAOYSA-N 0 1 264.413 2.513 20 30 CFEDMN CCCC[C@@H](CC)CN1CCC12CN(C(=O)[C@@H](C)C#N)C2 ZINC001270501368 777394464 /nfs/dbraw/zinc/39/44/64/777394464.db2.gz KKILVNVQOFWHKB-LSDHHAIUSA-N 0 1 291.439 2.649 20 30 CFEDMN C[C@]1(O)CCCN(Cc2ccc(C#N)c(Cl)c2)CC1 ZINC001232111180 777443279 /nfs/dbraw/zinc/44/32/79/777443279.db2.gz BDXFGHNNZLZBRY-HNNXBMFYSA-N 0 1 278.783 2.949 20 30 CFEDMN N#Cc1ccc(CN2CC[C@H]3COC[C@@H]3C2)cc1Cl ZINC001232116855 777444758 /nfs/dbraw/zinc/44/47/58/777444758.db2.gz PWYSAWVAPUPPGQ-KBPBESRZSA-N 0 1 276.767 2.680 20 30 CFEDMN N#Cc1ccc(CN2CC[C@H]3OCC[C@H]3C2)cc1Cl ZINC001232116559 777445080 /nfs/dbraw/zinc/44/50/80/777445080.db2.gz NKFLPKGBSBWINO-DZGCQCFKSA-N 0 1 276.767 2.822 20 30 CFEDMN CC(F)(F)C(C)(C)CNCc1nc(C#N)cs1 ZINC000696588409 777588565 /nfs/dbraw/zinc/58/85/65/777588565.db2.gz ZPZRUDWFPJLOFS-UHFFFAOYSA-N 0 1 259.325 2.786 20 30 CFEDMN C=CCN1CC[C@H](NC(=O)c2oc(C)cc2C)[C@H]1CC ZINC001087531587 777598827 /nfs/dbraw/zinc/59/88/27/777598827.db2.gz UIBPQOORSBAZCK-UONOGXRCSA-N 0 1 276.380 2.665 20 30 CFEDMN C=C(Cl)CNC[C@@H](C)N(C)C(=O)C[C@@H](C)CC ZINC001270948210 777611647 /nfs/dbraw/zinc/61/16/47/777611647.db2.gz QHLLYPXEGPOFCX-CMPLNLGQSA-N 0 1 260.809 2.612 20 30 CFEDMN C=CCCCN1CC(N(C)C(=O)[C@H](C)c2ccccc2)C1 ZINC001277686120 777611631 /nfs/dbraw/zinc/61/16/31/777611631.db2.gz CAWAIDVOLKGEKQ-OAHLLOKOSA-N 0 1 286.419 2.899 20 30 CFEDMN C=C1CC(C)(C(=O)NC[C@@]2(C)CCCN(CCF)C2)C1 ZINC001270990681 777622183 /nfs/dbraw/zinc/62/21/83/777622183.db2.gz DBMJQQFIDKKOKL-OAHLLOKOSA-N 0 1 282.403 2.531 20 30 CFEDMN C[N@@H+](CCc1ccccc1)Cc1cc(C#N)ccc1[O-] ZINC001232673684 777636251 /nfs/dbraw/zinc/63/62/51/777636251.db2.gz KYKAXIDKRSLGPR-UHFFFAOYSA-N 0 1 266.344 2.938 20 30 CFEDMN N#Cc1ccc([O-])c(C[N@H+]2CCC(=O)[C@@H]3CCCC[C@H]32)c1 ZINC001232673187 777636488 /nfs/dbraw/zinc/63/64/88/777636488.db2.gz BUFGKMLTCSTNLS-HUUCEWRRSA-N 0 1 284.359 2.597 20 30 CFEDMN N#Cc1ccc([O-])c(C[N@H+]2CCCC(F)(F)[C@@H](F)C2)c1 ZINC001232673139 777636541 /nfs/dbraw/zinc/63/65/41/777636541.db2.gz ASUZHXRPACVDOK-ZDUSSCGKSA-N 0 1 284.281 2.833 20 30 CFEDMN C[C@@]1(F)CCC[N@@H+](Cc2cc(C#N)ccc2[O-])CC1 ZINC001232673453 777636793 /nfs/dbraw/zinc/63/67/93/777636793.db2.gz GZBFSCHVVOHPOH-OAHLLOKOSA-N 0 1 262.328 2.978 20 30 CFEDMN C[N@H+](CC(=O)c1ccccc1)Cc1cc(C#N)ccc1[O-] ZINC001232677258 777638264 /nfs/dbraw/zinc/63/82/64/777638264.db2.gz AFCCAJLUKNGBNA-UHFFFAOYSA-N 0 1 280.327 2.579 20 30 CFEDMN C[N@@H+](CC(=O)c1ccccc1)Cc1cc(C#N)ccc1[O-] ZINC001232677258 777638268 /nfs/dbraw/zinc/63/82/68/777638268.db2.gz AFCCAJLUKNGBNA-UHFFFAOYSA-N 0 1 280.327 2.579 20 30 CFEDMN CC[N@@H+](CCN1CCCCC1)Cc1cc(C#N)ccc1[O-] ZINC001232678868 777640668 /nfs/dbraw/zinc/64/06/68/777640668.db2.gz RZXROTLBSJAAKZ-UHFFFAOYSA-N 0 1 287.407 2.572 20 30 CFEDMN CCN(CC[NH+]1CCCCC1)Cc1cc(C#N)ccc1[O-] ZINC001232678868 777640673 /nfs/dbraw/zinc/64/06/73/777640673.db2.gz RZXROTLBSJAAKZ-UHFFFAOYSA-N 0 1 287.407 2.572 20 30 CFEDMN C#CCN1CC[C@H](NC(=O)C2CCCCCCC2)[C@H]1CC ZINC001087652628 777674079 /nfs/dbraw/zinc/67/40/79/777674079.db2.gz BVOIXTGIQNALBK-DLBZAZTESA-N 0 1 290.451 2.949 20 30 CFEDMN COc1cc(O)cc(CN2CCC[C@H](CC#N)C2)c1 ZINC001232803560 777675929 /nfs/dbraw/zinc/67/59/29/777675929.db2.gz NPIRKXMSIPUKNA-GFCCVEGCSA-N 0 1 260.337 2.526 20 30 CFEDMN N#Cc1ccc(CN2CCC3(C[C@H](F)CO3)CC2)s1 ZINC001232844898 777692318 /nfs/dbraw/zinc/69/23/18/777692318.db2.gz BARTYRPWEIXKJA-NSHDSACASA-N 0 1 280.368 2.713 20 30 CFEDMN C=CCN1CC[C@H](NC(=O)C2(F)CCCCC2)[C@H]1CC ZINC001087783646 777698204 /nfs/dbraw/zinc/69/82/04/777698204.db2.gz MYFJXMYSCBTFHS-UONOGXRCSA-N 0 1 282.403 2.814 20 30 CFEDMN CC#CCN1CC[C@H](NC(=O)[C@H]2CC[C@H](C)CC2)[C@H]1CC ZINC001087803868 777701976 /nfs/dbraw/zinc/70/19/76/777701976.db2.gz VSRZHIWVOZNCLU-LUKYLMHMSA-N 0 1 290.451 2.805 20 30 CFEDMN C[C@H]1CN(Cc2cc(F)ccc2C#N)CCC[C@@]1(C)O ZINC001232888816 777706792 /nfs/dbraw/zinc/70/67/92/777706792.db2.gz PKVNMKPHDGWWBB-BLLLJJGKSA-N 0 1 276.355 2.680 20 30 CFEDMN C[C@@]1(CO)CCCN(Cc2cc(F)ccc2C#N)CC1 ZINC001232888603 777707336 /nfs/dbraw/zinc/70/73/36/777707336.db2.gz HJOGUKWCJSGYKI-MRXNPFEDSA-N 0 1 276.355 2.682 20 30 CFEDMN N#Cc1cccc(CN2CCC3(CC(F)(F)C3)CC2)n1 ZINC001232922996 777721363 /nfs/dbraw/zinc/72/13/63/777721363.db2.gz OMYFEEUABNHWRW-UHFFFAOYSA-N 0 1 277.318 2.965 20 30 CFEDMN C=CCN1C[C@@H]2CCN(C(=O)c3ccc4occc4c3)[C@@H]2C1 ZINC001075823646 777733417 /nfs/dbraw/zinc/73/34/17/777733417.db2.gz XEQVKEVZIOITKI-JKSUJKDBSA-N 0 1 296.370 2.765 20 30 CFEDMN COCC1CCN(Cc2ccc(C)cc2C#N)CC1 ZINC001232961619 777739603 /nfs/dbraw/zinc/73/96/03/777739603.db2.gz BJWSQNZTELWOOM-UHFFFAOYSA-N 0 1 258.365 2.725 20 30 CFEDMN Cc1ccc(CN2CCC[C@@](O)(CF)CC2)c(C#N)c1 ZINC001232961753 777739672 /nfs/dbraw/zinc/73/96/72/777739672.db2.gz DXYRCHNCRBFNFJ-INIZCTEOSA-N 0 1 276.355 2.553 20 30 CFEDMN Cc1ccc(CN2CCC[C@]3(CCOC3)C2)c(C#N)c1 ZINC001232963748 777740988 /nfs/dbraw/zinc/74/09/88/777740988.db2.gz LPIJFLBYBNWTJA-KRWDZBQOSA-N 0 1 270.376 2.869 20 30 CFEDMN C=C[C@](C)(CC)C(=O)N1C[C@H]2CC[C@@H](C1)N2CC(=C)C ZINC001029454333 777741491 /nfs/dbraw/zinc/74/14/91/777741491.db2.gz ZJUJEUFBFXQBTG-HLLBOEOZSA-N 0 1 276.424 2.840 20 30 CFEDMN Cc1ccc(CN2CCC3(CCC(=O)O3)CC2)c(C#N)c1 ZINC001232966849 777743260 /nfs/dbraw/zinc/74/32/60/777743260.db2.gz XOPLDOVCSVGKKO-UHFFFAOYSA-N 0 1 284.359 2.538 20 30 CFEDMN N#C[C@@H]1CCCCN1Cc1ccc(F)c(F)c1O ZINC001233078022 777788211 /nfs/dbraw/zinc/78/82/11/777788211.db2.gz CWBHDTMJCOHSJX-JTQLQIEISA-N 0 1 252.264 2.548 20 30 CFEDMN CC[C@@]12C[C@@H](CO1)N(Cc1ccc(C#N)cc1C)C2 ZINC001233082545 777791429 /nfs/dbraw/zinc/79/14/29/777791429.db2.gz QGZYJHLELJECTP-HOTGVXAUSA-N 0 1 256.349 2.620 20 30 CFEDMN C#C[C@H]1CCCN(Cc2ccc(N(C)C)c(C#N)c2F)C1 ZINC001233101644 777794706 /nfs/dbraw/zinc/79/47/06/777794706.db2.gz CJHLBBBHHQZVBP-ZDUSSCGKSA-N 0 1 285.366 2.609 20 30 CFEDMN N#C[C@@H]1CN(Cc2csc(C(F)(F)F)c2)CCC1=O ZINC001233178792 777819646 /nfs/dbraw/zinc/81/96/46/777819646.db2.gz RBGJTFREOXLBGA-SECBINFHSA-N 0 1 288.294 2.681 20 30 CFEDMN COc1c(O)cccc1CN1CCC[C@@H](C#N)CC1 ZINC001233257039 777849261 /nfs/dbraw/zinc/84/92/61/777849261.db2.gz JZCWUWLCEMTEBX-GFCCVEGCSA-N 0 1 260.337 2.526 20 30 CFEDMN N#Cc1ccc(C[N@H+]2CCC[C@@H]2c2ccccn2)c([O-])c1 ZINC001233386219 777927175 /nfs/dbraw/zinc/92/71/75/777927175.db2.gz KJZZXEOKEVHKGD-MRXNPFEDSA-N 0 1 279.343 2.996 20 30 CFEDMN N#CC=C([O-])c1ccccc1OC1CC[NH+](C2CC2)CC1 ZINC001233525865 777979841 /nfs/dbraw/zinc/97/98/41/777979841.db2.gz XTMBASOHUCQVFL-UHFFFAOYSA-N 0 1 284.359 2.789 20 30 CFEDMN C=CCN1CC[C@H]1CN(C)C(=O)C(C)=C1CCCC1 ZINC001233580864 777997901 /nfs/dbraw/zinc/99/79/01/777997901.db2.gz OJPYUDFWFRUOAD-HNNXBMFYSA-N 0 1 262.397 2.596 20 30 CFEDMN C=CCc1ccc(O[C@@H]2C[C@@H]3CC(=O)C[C@H]2[N@H+]3C)cc1 ZINC001233595790 778005068 /nfs/dbraw/zinc/00/50/68/778005068.db2.gz UPTLEMZMAMDMBF-IAOVAPTHSA-N 0 1 271.360 2.598 20 30 CFEDMN C=CCc1ccc(O[C@@H]2C[C@@H]3CC(=O)C[C@H]2N3C)cc1 ZINC001233595790 778005082 /nfs/dbraw/zinc/00/50/82/778005082.db2.gz UPTLEMZMAMDMBF-IAOVAPTHSA-N 0 1 271.360 2.598 20 30 CFEDMN C#CCN(Cc1ccccc1)C(=O)[C@@H]1CCC[N@@H+]1C(C)C ZINC001271944400 778026954 /nfs/dbraw/zinc/02/69/54/778026954.db2.gz GSBGIPHQNJZIMI-KRWDZBQOSA-N 0 1 284.403 2.521 20 30 CFEDMN C[C@H]1C[C@H](N(CCC#N)Cc2ccccc2)CCO1 ZINC001168103899 778046887 /nfs/dbraw/zinc/04/68/87/778046887.db2.gz KGEYCMJCQKTAGW-GOEBONIOSA-N 0 1 258.365 2.970 20 30 CFEDMN C=C1O[C@@H](CC)C(=O)C1Oc1cc(F)c([N+](=O)[O-])c(F)c1 ZINC001233752928 778064737 /nfs/dbraw/zinc/06/47/37/778064737.db2.gz HSXXXVSDAKJUJV-JTQLQIEISA-N 0 1 299.229 2.861 20 30 CFEDMN C#CCN1CC[C@@H]2[C@H]1CCCN2C(=O)[C@@H](CC)CCCC ZINC001272006120 778110970 /nfs/dbraw/zinc/11/09/70/778110970.db2.gz SUGQRAVVSSKZBP-GVDBMIGSSA-N 0 1 290.451 2.901 20 30 CFEDMN C=C(C)CN1CC[C@H]1CN(C)C(=O)C[C@H](C)CC ZINC001233923413 778114339 /nfs/dbraw/zinc/11/43/39/778114339.db2.gz BMEABHFOKWNLAY-KGLIPLIRSA-N 0 1 252.402 2.531 20 30 CFEDMN CCCCC(=O)NCCCN(C)CC#Cc1ccccc1 ZINC001234042553 778150742 /nfs/dbraw/zinc/15/07/42/778150742.db2.gz QRROCZAPEOSCDU-UHFFFAOYSA-N 0 1 286.419 2.666 20 30 CFEDMN C=C1O[C@H](C)C(=O)C1Oc1nc(Cl)nc2c1CCCC2 ZINC001234064910 778155960 /nfs/dbraw/zinc/15/59/60/778155960.db2.gz KOVPAYORZIHLFP-SSDOTTSWSA-N 0 1 294.738 2.607 20 30 CFEDMN C[C@H](c1ccccc1)N1CC[C@@H]1CN(C)C(=O)C#CC1CC1 ZINC001234195482 778183889 /nfs/dbraw/zinc/18/38/89/778183889.db2.gz LODRNOLVBFEFOT-CRAIPNDOSA-N 0 1 296.414 2.694 20 30 CFEDMN CC#CCN1CC[C@H]2[C@H]1CCCN2C(=O)C1(CCC)CC1 ZINC001272033201 778185728 /nfs/dbraw/zinc/18/57/28/778185728.db2.gz HGCOHVBFWQPBKI-CVEARBPZSA-N 0 1 288.435 2.655 20 30 CFEDMN C#C[C@H](C)Oc1[nH]c(=O)nc2cc(C(F)(F)F)ccc21 ZINC001234412613 778219294 /nfs/dbraw/zinc/21/92/94/778219294.db2.gz SMXJQNWQWDGTHA-ZETCQYMHSA-N 0 1 282.221 2.755 20 30 CFEDMN C[C@H](Cc1ccco1)Oc1[nH]c(=O)nc2cccc(C#N)c21 ZINC001234512675 778240722 /nfs/dbraw/zinc/24/07/22/778240722.db2.gz DBBNYSQFIDNTAU-SNVBAGLBSA-N 0 1 295.298 2.810 20 30 CFEDMN C=C[C@H](CC)Oc1[nH]c(=O)nc2cccc(C#N)c21 ZINC001234510513 778241320 /nfs/dbraw/zinc/24/13/20/778241320.db2.gz BGQOGZSXHAVFEG-SNVBAGLBSA-N 0 1 255.277 2.550 20 30 CFEDMN N#Cc1ccc2nc(=O)[nH]c(O[C@@H]3CCC(F)(F)C3)c2c1 ZINC001234520814 778242023 /nfs/dbraw/zinc/24/20/23/778242023.db2.gz YAFDRRTYYWACRJ-SECBINFHSA-N 0 1 291.257 2.774 20 30 CFEDMN CCC(CC)Oc1[nH]c(=O)nc2ccc(C#N)cc21 ZINC001234531339 778246068 /nfs/dbraw/zinc/24/60/68/778246068.db2.gz YWRUVFYBPREASS-UHFFFAOYSA-N 0 1 257.293 2.774 20 30 CFEDMN C=C(C)CN1CC[C@@H]1CN(C)C(=O)C(C)(C)C(C)C ZINC001234563302 778254000 /nfs/dbraw/zinc/25/40/00/778254000.db2.gz PKAKGRONGOUMCV-CQSZACIVSA-N 0 1 266.429 2.777 20 30 CFEDMN C#C[C@H](CCCC)Oc1nc(C)[nH]c(=O)c1Br ZINC001234570318 778255005 /nfs/dbraw/zinc/25/50/05/778255005.db2.gz WOEFWWFGYKZEEF-SECBINFHSA-N 0 1 299.168 2.824 20 30 CFEDMN C=C(C)CCC(=O)N(C)C[C@H]1CC[N@@H+]1CC[C@H](C)F ZINC001234614982 778266191 /nfs/dbraw/zinc/26/61/91/778266191.db2.gz WRGDUZXXRQAWST-UONOGXRCSA-N 0 1 270.392 2.624 20 30 CFEDMN CC#CCN1CC[C@H](NC(=O)C(C)(C)C2CCCC2)[C@H]1C ZINC001088627634 778370928 /nfs/dbraw/zinc/37/09/28/778370928.db2.gz XNYDNELNHAIRFS-ZBFHGGJFSA-N 0 1 290.451 2.805 20 30 CFEDMN C=CCN1CC[C@H](NC(=O)c2cscc2Cl)[C@H]1C ZINC001088641443 778372360 /nfs/dbraw/zinc/37/23/60/778372360.db2.gz CYJMDDWMCLCHGX-SKDRFNHKSA-N 0 1 284.812 2.780 20 30 CFEDMN C=C(C)C(=O)Nc1n[nH]c2nc(C(F)(F)F)cc(C)c12 ZINC001142508370 778395215 /nfs/dbraw/zinc/39/52/15/778395215.db2.gz VLDVOCOWTCQKSG-UHFFFAOYSA-N 0 1 284.241 2.800 20 30 CFEDMN C=C(C)CCN1CC(N(C)C(=O)[C@H]2CCC[C@@H](F)C2)C1 ZINC001042709327 778395636 /nfs/dbraw/zinc/39/56/36/778395636.db2.gz RKGYJYGHCQOJLK-UONOGXRCSA-N 0 1 282.403 2.624 20 30 CFEDMN C=C(C)C[N@@H+]1CC[C@H]1CN(C)C(=O)[C@H](CC)CC(F)F ZINC001235224561 778420222 /nfs/dbraw/zinc/42/02/22/778420222.db2.gz HMAUEOGWYVCRGN-OLZOCXBDSA-N 0 1 288.382 2.777 20 30 CFEDMN C=C(C)CN1CC[C@H]1CN(C)C(=O)[C@H](CC)CC(F)F ZINC001235224561 778420224 /nfs/dbraw/zinc/42/02/24/778420224.db2.gz HMAUEOGWYVCRGN-OLZOCXBDSA-N 0 1 288.382 2.777 20 30 CFEDMN C=CCN1CC[C@H](NC(=O)c2c(F)cc(C)cc2F)[C@H]1C ZINC001088732122 778460868 /nfs/dbraw/zinc/46/08/68/778460868.db2.gz OZGAVLOUZGHILA-RISCZKNCSA-N 0 1 294.345 2.652 20 30 CFEDMN C=CCN1CC[C@H](NC(=O)c2cc3cc(C)ccc3[nH]2)[C@H]1C ZINC001088786016 778491220 /nfs/dbraw/zinc/49/12/20/778491220.db2.gz LLIHRPVOEGGLAS-HIFRSBDPSA-N 0 1 297.402 2.855 20 30 CFEDMN C=CCCC(=O)NCCCN(C)Cc1cccc(Cl)n1 ZINC001235481249 778503450 /nfs/dbraw/zinc/50/34/50/778503450.db2.gz VAVGFXHULLYSJN-UHFFFAOYSA-N 0 1 295.814 2.639 20 30 CFEDMN N#CCc1ccccc1C[N@@H+]1CC[C@H]2SC(=O)C=C2C1 ZINC001235515006 778510429 /nfs/dbraw/zinc/51/04/29/778510429.db2.gz NSJBOHGVLKHNKW-OAHLLOKOSA-N 0 1 284.384 2.527 20 30 CFEDMN N#CCc1ccccc1CN1CCC2SC(=O)C=C2C1 ZINC001235515006 778510431 /nfs/dbraw/zinc/51/04/31/778510431.db2.gz NSJBOHGVLKHNKW-OAHLLOKOSA-N 0 1 284.384 2.527 20 30 CFEDMN C=C(C)CN1CC[C@H]1CN(C)C(=O)[C@H](C)C1CCC1 ZINC001235744190 778552729 /nfs/dbraw/zinc/55/27/29/778552729.db2.gz VPRZIJWCXKNMCD-HIFRSBDPSA-N 0 1 264.413 2.531 20 30 CFEDMN C=C(C)COc1ccccc1CN1CC[C@@H](N)C(F)(F)C1 ZINC001235910817 778606032 /nfs/dbraw/zinc/60/60/32/778606032.db2.gz CTXQZEHSRFJNDJ-OAHLLOKOSA-N 0 1 296.361 2.810 20 30 CFEDMN C=C(C)c1ccc(-c2ccc(N3CCN(C)CC3)nc2)nc1 ZINC001235968742 778632611 /nfs/dbraw/zinc/63/26/11/778632611.db2.gz QMFCVQCUTDEDGD-UHFFFAOYSA-N 0 1 294.402 2.929 20 30 CFEDMN C=C(Cl)CNCCNC(=O)[C@@H]1C[C@H]1c1sccc1C ZINC001127196052 778915905 /nfs/dbraw/zinc/91/59/05/778915905.db2.gz PZALPZUJEJPPQJ-VXGBXAGGSA-N 0 1 298.839 2.618 20 30 CFEDMN COC(=O)C1(C#N)CCN(Cc2cccc3ccoc32)CC1 ZINC001236743699 778927156 /nfs/dbraw/zinc/92/71/56/778927156.db2.gz SBPCRNYZOMLVLO-UHFFFAOYSA-N 0 1 298.342 2.712 20 30 CFEDMN COc1ccc(CN2CCC[C@@H](C#N)C2)c(O)c1Cl ZINC001236811875 778949181 /nfs/dbraw/zinc/94/91/81/778949181.db2.gz QOQKLUPUTIGGME-JTQLQIEISA-N 0 1 280.755 2.790 20 30 CFEDMN C#CCN1CC[C@H](NC(=O)c2ccccc2C2CCC2)[C@H]1C ZINC001089011146 778974159 /nfs/dbraw/zinc/97/41/59/778974159.db2.gz LRKNAOBDLHLUEH-KDOFPFPSSA-N 0 1 296.414 2.780 20 30 CFEDMN CC#CCN1CC[C@H](NC(=O)[C@@H](C)c2ccccc2C)[C@H]1C ZINC001089055361 778982903 /nfs/dbraw/zinc/98/29/03/778982903.db2.gz HGXYXYUCTGUEGA-JZXOWHBKSA-N 0 1 298.430 2.701 20 30 CFEDMN C=CCN1CC[C@H](NC(=O)C2(c3cccc(C)c3)CC2)[C@H]1C ZINC001089061397 778983519 /nfs/dbraw/zinc/98/35/19/778983519.db2.gz QNRTWSMDMRUENX-WBVHZDCISA-N 0 1 298.430 2.792 20 30 CFEDMN CC#CCN1CC[C@H](NC(=O)c2cccc(C3CC3)c2)[C@H]1C ZINC001089066298 778985148 /nfs/dbraw/zinc/98/51/48/778985148.db2.gz ZXKPWXVYROICDH-KDOFPFPSSA-N 0 1 296.414 2.780 20 30 CFEDMN CC#CCN1CC[C@H](NC(=O)C2(C)CCC(C)CC2)[C@H]1C ZINC001089068104 778986592 /nfs/dbraw/zinc/98/65/92/778986592.db2.gz MJVATHQJNQJPHQ-NDUQDZPOSA-N 0 1 290.451 2.805 20 30 CFEDMN C=CCCCCCCN1CCN[C@@H](C(F)(F)F)C1 ZINC001236979555 778989368 /nfs/dbraw/zinc/98/93/68/778989368.db2.gz FSKRJCPEIXQTLG-GFCCVEGCSA-N 0 1 264.335 2.959 20 30 CFEDMN C=CCN(C)Cc1c(O)cccc1OC(F)(F)F ZINC001237122218 779020587 /nfs/dbraw/zinc/02/05/87/779020587.db2.gz GTMRLKSSBVFPRL-UHFFFAOYSA-N 0 1 261.243 2.909 20 30 CFEDMN C=C(C)CCN1CC(NC(=O)Cc2cccc(Cl)c2)C1 ZINC001030884383 779076013 /nfs/dbraw/zinc/07/60/13/779076013.db2.gz APGWLDJHIOFPIK-UHFFFAOYSA-N 0 1 292.810 2.649 20 30 CFEDMN C=C1O[C@@H](C)C(=O)C1Oc1ccc(C(=O)OCC)c(C)c1 ZINC001233804776 779091544 /nfs/dbraw/zinc/09/15/44/779091544.db2.gz CJIJBRRCCLMEFW-JTQLQIEISA-N 0 1 290.315 2.770 20 30 CFEDMN C=C1CC(C)(C(=O)NC2CN(CC(CC)CC)C2)C1 ZINC001030924694 779105013 /nfs/dbraw/zinc/10/50/13/779105013.db2.gz WYPVCAVYDGMXMI-UHFFFAOYSA-N 0 1 264.413 2.579 20 30 CFEDMN N#Cc1cc(CN2CCC(Cc3ccncc3)CC2)ccn1 ZINC001237468151 779114971 /nfs/dbraw/zinc/11/49/71/779114971.db2.gz FQWLLAAEHJPDHC-UHFFFAOYSA-N 0 1 292.386 2.803 20 30 CFEDMN C#CCN1CC(C)(C)CC[C@@H]1CNC(=O)[C@]1(C)C=CCC1 ZINC001099165035 779115241 /nfs/dbraw/zinc/11/52/41/779115241.db2.gz JJLPFAZRKISXPI-CRAIPNDOSA-N 0 1 288.435 2.583 20 30 CFEDMN C=C(Cl)CN1CC[C@H](NC(=O)CC)CC(C)(C)C1 ZINC001089282875 779129146 /nfs/dbraw/zinc/12/91/46/779129146.db2.gz ARRCAOLISLPMQR-LBPRGKRZSA-N 0 1 272.820 2.756 20 30 CFEDMN CC(=O)N[C@H]1CCN(Cc2ccccc2C#N)CC(C)(C)C1 ZINC001089286320 779133434 /nfs/dbraw/zinc/13/34/34/779133434.db2.gz ZKTQBADLNJQVSO-KRWDZBQOSA-N 0 1 299.418 2.685 20 30 CFEDMN N#Cc1ccc2nc(CN3CCC[C@H]4CCC[C@@H]43)cn2c1 ZINC001237606815 779140246 /nfs/dbraw/zinc/14/02/46/779140246.db2.gz OSOLTLMOXMSIQQ-ZBFHGGJFSA-N 0 1 280.375 2.970 20 30 CFEDMN C[C@H]1CCCCN1Cc1cn2cc(C#N)ccc2n1 ZINC001237604559 779140646 /nfs/dbraw/zinc/14/06/46/779140646.db2.gz OVHDUKIIKPPUBI-LBPRGKRZSA-N 0 1 254.337 2.580 20 30 CFEDMN C=CCCCCN(C)Cc1cn2cc(C#N)ccc2n1 ZINC001237616935 779143991 /nfs/dbraw/zinc/14/39/91/779143991.db2.gz IBHRFDFUDHFJRI-UHFFFAOYSA-N 0 1 268.364 2.994 20 30 CFEDMN C[C@@H]1[C@@H](C)CCCN1Cc1cn2cc(C#N)ccc2n1 ZINC001237615676 779144000 /nfs/dbraw/zinc/14/40/00/779144000.db2.gz YLHLSPOTWGSPHE-QWHCGFSZSA-N 0 1 268.364 2.826 20 30 CFEDMN C=CCN1CC(C)(C)CC[C@H]1CNC(=O)[C@@H](F)CC ZINC001099177692 779159184 /nfs/dbraw/zinc/15/91/84/779159184.db2.gz ZWULLFKLHXPRCQ-STQMWFEESA-N 0 1 270.392 2.527 20 30 CFEDMN C[C@H]1CN(Cc2cc(Cl)cc(C#N)c2)CC[C@@]1(C)O ZINC001237746353 779173020 /nfs/dbraw/zinc/17/30/20/779173020.db2.gz LPEBXKMFDLADLU-XHDPSFHLSA-N 0 1 278.783 2.804 20 30 CFEDMN N#Cc1cc(Cl)cc(CN2CCC[C@]23CCOC3)c1 ZINC001237751900 779174294 /nfs/dbraw/zinc/17/42/94/779174294.db2.gz AGZVAFQRICCVND-OAHLLOKOSA-N 0 1 276.767 2.967 20 30 CFEDMN C#CCN1CC(C)(C)CC[C@@H]1CNC(=O)C1(CC)CCC1 ZINC001099188790 779194017 /nfs/dbraw/zinc/19/40/17/779194017.db2.gz JXPWRLHGGWAPAT-OAHLLOKOSA-N 0 1 290.451 2.807 20 30 CFEDMN C#CC1CCN(Cc2[nH]c(-c3ccc[nH]3)cc2OC)CC1 ZINC001237886288 779200834 /nfs/dbraw/zinc/20/08/34/779200834.db2.gz JRDJDOZQWXYLAG-UHFFFAOYSA-N 0 1 283.375 2.864 20 30 CFEDMN Cc1sccc1CN1CCC2SC(=O)C=C2C1 ZINC001237968647 779219088 /nfs/dbraw/zinc/21/90/88/779219088.db2.gz NWASEQAQUFGGON-GFCCVEGCSA-N 0 1 265.403 2.831 20 30 CFEDMN CC1=C(Oc2c(O)cc(Cl)cc2F)C(=O)[C@H](C)O1 ZINC001234448549 779229718 /nfs/dbraw/zinc/22/97/18/779229718.db2.gz UOUQPRUQAWAYAJ-YFKPBYRVSA-N 0 1 272.659 2.783 20 30 CFEDMN CCN(CCCC(=O)OC)Cc1ccc(C#N)cc1Cl ZINC001238080367 779247872 /nfs/dbraw/zinc/24/78/72/779247872.db2.gz ORQIDGDBXGVGMC-UHFFFAOYSA-N 0 1 294.782 2.987 20 30 CFEDMN N#Cc1ccc(CN2CC[C@@H](F)[C@@H](O)CC2)c(Cl)c1 ZINC001238080359 779247891 /nfs/dbraw/zinc/24/78/91/779247891.db2.gz OQOLSADEFRXYSR-KGLIPLIRSA-N 0 1 282.746 2.506 20 30 CFEDMN C=C(C)C[N@H+]1CC[C@](C)(NC(=O)c2cc(C)cc(F)c2)C1 ZINC001046646339 779256542 /nfs/dbraw/zinc/25/65/42/779256542.db2.gz BUVJXVZBQDOPFR-KRWDZBQOSA-N 0 1 290.382 2.904 20 30 CFEDMN N#Cc1cc(CN2CCC[C@@H](CO)CC2)ccc1Cl ZINC001238189201 779273352 /nfs/dbraw/zinc/27/33/52/779273352.db2.gz OJAGSDANUSZFPG-GFCCVEGCSA-N 0 1 278.783 2.806 20 30 CFEDMN CC(C)Oc1cncc(CN2CCC(S)CC2)c1 ZINC001238469258 779325232 /nfs/dbraw/zinc/32/52/32/779325232.db2.gz QEYBMPATPIPFKT-UHFFFAOYSA-N 0 1 266.410 2.763 20 30 CFEDMN C=C(C)CN1CC[C@H]1CN(C)C(=O)C[C@H](OCC)C(C)C ZINC001235259963 779333786 /nfs/dbraw/zinc/33/37/86/779333786.db2.gz FBRZCPNPJAGJKI-HOTGVXAUSA-N 0 1 296.455 2.546 20 30 CFEDMN C#CC1CCN(Cc2c(F)cc(C)cc2OC)CC1 ZINC001238594340 779345869 /nfs/dbraw/zinc/34/58/69/779345869.db2.gz KQGRCIQZFHWQAG-UHFFFAOYSA-N 0 1 261.340 2.988 20 30 CFEDMN CCc1cc(C[N@@H+]2[C@@H]3CC[C@H]2CC(=O)C3)ccc1C#N ZINC001238761756 779384112 /nfs/dbraw/zinc/38/41/12/779384112.db2.gz WSTSREOBZTVKQI-IYBDPMFKSA-N 0 1 268.360 2.817 20 30 CFEDMN CCc1cc(CN2[C@@H]3CC[C@H]2CC(=O)C3)ccc1C#N ZINC001238761756 779384116 /nfs/dbraw/zinc/38/41/16/779384116.db2.gz WSTSREOBZTVKQI-IYBDPMFKSA-N 0 1 268.360 2.817 20 30 CFEDMN CCc1cc(CN2CC3(CSC3)C2)ccc1C#N ZINC001238772042 779388087 /nfs/dbraw/zinc/38/80/87/779388087.db2.gz MXOHEWXACWXHSH-UHFFFAOYSA-N 0 1 258.390 2.669 20 30 CFEDMN Cc1cccc(-c2ccnc(N3CCN(C)CC3)c2)c1C#N ZINC001238823297 779399804 /nfs/dbraw/zinc/39/98/04/779399804.db2.gz YYIBMBSMRYFPMM-UHFFFAOYSA-N 0 1 292.386 2.681 20 30 CFEDMN C=C(C)CCN1CC(NC(=O)Cc2ccc(Cl)cc2)C1 ZINC001031334596 779431128 /nfs/dbraw/zinc/43/11/28/779431128.db2.gz CUBLFYZFQRXGCD-UHFFFAOYSA-N 0 1 292.810 2.649 20 30 CFEDMN C=C(C)CCN1CC(NC(=O)C[C@H]2CCCC[C@H]2C)C1 ZINC001031470097 779465022 /nfs/dbraw/zinc/46/50/22/779465022.db2.gz DPRLGOTVUXKKSI-HUUCEWRRSA-N 0 1 278.440 2.969 20 30 CFEDMN N#Cc1ccc(/C=C/c2ccc(Cc3nn[nH]n3)cc2)cc1 ZINC001239303284 779505875 /nfs/dbraw/zinc/50/58/75/779505875.db2.gz OLRHVNPPJONHPC-OWOJBTEDSA-N 0 1 287.326 2.833 20 30 CFEDMN C#CCN1CC(C)(C)CC[C@@H]1CNC(=O)C[C@H](C)C1CC1 ZINC001099358367 779516159 /nfs/dbraw/zinc/51/61/59/779516159.db2.gz GKTYGTSGZDWJAF-GOEBONIOSA-N 0 1 290.451 2.663 20 30 CFEDMN CCCCCCCOC(=O)N1C[C@@H](C)N[C@H](C)C1 ZINC001239338768 779528391 /nfs/dbraw/zinc/52/83/91/779528391.db2.gz DOEKPPNKMHLIJE-CHWSQXEVSA-N 0 1 256.390 2.776 20 30 CFEDMN N#CC1(c2ccc(-n3[nH]c(=O)c4cc(N)ccc43)cc2)CC1 ZINC001212255485 779532787 /nfs/dbraw/zinc/53/27/87/779532787.db2.gz BPHIUHXNCBHNIP-UHFFFAOYSA-N 0 1 290.326 2.868 20 30 CFEDMN CC#CCN1CC(C)(C)CC[C@@H]1CNC(=O)C1CC(C)C1 ZINC001089626273 779547285 /nfs/dbraw/zinc/54/72/85/779547285.db2.gz DPBNKMRIOJSNCK-UYSNPLJNSA-N 0 1 290.451 2.663 20 30 CFEDMN COc1ccccc1-c1cc2[nH]cnc2c(C#N)n1 ZINC001239537994 779615650 /nfs/dbraw/zinc/61/56/50/779615650.db2.gz KUXCEFWENCCLTP-UHFFFAOYSA-N 0 1 250.261 2.505 20 30 CFEDMN C=C(C)CN1CC(CNC(=O)[C@@H]2[C@H](C=C(C)C)C2(C)C)C1 ZINC001031829858 779632508 /nfs/dbraw/zinc/63/25/08/779632508.db2.gz GVRRVPXJDTWDJS-HOTGVXAUSA-N 0 1 290.451 2.849 20 30 CFEDMN COC(=O)c1cccc(-c2nccc3[nH]cc(C#N)c32)c1 ZINC001239730382 779734158 /nfs/dbraw/zinc/73/41/58/779734158.db2.gz AAFULZTXBVGNPS-UHFFFAOYSA-N 0 1 277.283 2.888 20 30 CFEDMN C[C@@]1(O)CCCN(Cc2ccc(Cl)c(C#N)c2)C1 ZINC001238193925 779761534 /nfs/dbraw/zinc/76/15/34/779761534.db2.gz HSTFYSBGEPMFGE-CQSZACIVSA-N 0 1 264.756 2.558 20 30 CFEDMN C#CCCN1CC(CNC(=O)c2sccc2C(C)C)C1 ZINC001032203213 779763056 /nfs/dbraw/zinc/76/30/56/779763056.db2.gz ASNKCQSZDICOAA-UHFFFAOYSA-N 0 1 290.432 2.556 20 30 CFEDMN C=CCN1CC(CNC(=O)c2sccc2C(C)C)C1 ZINC001032203631 779763290 /nfs/dbraw/zinc/76/32/90/779763290.db2.gz QFHJSGPKCAWWJX-UHFFFAOYSA-N 0 1 278.421 2.719 20 30 CFEDMN CCc1cc(C[N@H+]2CCOC[C@@H](C)C2)ccc1C#N ZINC001238766295 779825735 /nfs/dbraw/zinc/82/57/35/779825735.db2.gz KGKBVQDBVNQURG-ZDUSSCGKSA-N 0 1 258.365 2.589 20 30 CFEDMN C=CCCC(=O)NC[C@@]1(C)CN(CC/C=C\CC)CCO1 ZINC001107801993 779902341 /nfs/dbraw/zinc/90/23/41/779902341.db2.gz GJDIDGHXWFTSAJ-QLBOMPFWSA-N 0 1 294.439 2.516 20 30 CFEDMN C=CCCC[N@H+]1CCO[C@](C)(CNC(=O)/C=C(/C)CC)C1 ZINC001107924145 779939519 /nfs/dbraw/zinc/93/95/19/779939519.db2.gz IWFLRXSCIWBAFY-MLRPBERTSA-N 0 1 294.439 2.516 20 30 CFEDMN C=CCCCN1CCO[C@](C)(CNC(=O)/C=C(/C)CC)C1 ZINC001107924145 779939523 /nfs/dbraw/zinc/93/95/23/779939523.db2.gz IWFLRXSCIWBAFY-MLRPBERTSA-N 0 1 294.439 2.516 20 30 CFEDMN C=CCCC[N@H+]1CCO[C@@](C)(CNC(=O)/C=C(\C)CC)C1 ZINC001107924147 779939903 /nfs/dbraw/zinc/93/99/03/779939903.db2.gz IWFLRXSCIWBAFY-VMEIHUARSA-N 0 1 294.439 2.516 20 30 CFEDMN C=CCCCN1CCO[C@@](C)(CNC(=O)/C=C(\C)CC)C1 ZINC001107924147 779939908 /nfs/dbraw/zinc/93/99/08/779939908.db2.gz IWFLRXSCIWBAFY-VMEIHUARSA-N 0 1 294.439 2.516 20 30 CFEDMN C=CCN1C[C@]2(CC1=O)CCCCN2Cc1cc(C)ccn1 ZINC001272781324 779997457 /nfs/dbraw/zinc/99/74/57/779997457.db2.gz BTYDJMSNNDXFPR-GOSISDBHSA-N 0 1 299.418 2.533 20 30 CFEDMN O/N=C/c1cc(C2=CCOC2)cc(C(F)(F)F)c1 ZINC001239490675 780001627 /nfs/dbraw/zinc/00/16/27/780001627.db2.gz WFWVDCPISNTSPJ-OMCISZLKSA-N 0 1 257.211 2.927 20 30 CFEDMN Cn1ncc2ccc(-c3nccc4[nH]cc(C#N)c43)cc21 ZINC001240307540 780064434 /nfs/dbraw/zinc/06/44/34/780064434.db2.gz RKZXMWRLIPLRGI-UHFFFAOYSA-N 0 1 273.299 2.988 20 30 CFEDMN C=C(C)CN1C[C@@H]2C[C@H]1CN2C(=O)[C@@H]1C[C@H]1CC(C)C ZINC001032637472 780095721 /nfs/dbraw/zinc/09/57/21/780095721.db2.gz MTHXUFFXXAGATK-FXUDXRNXSA-N 0 1 276.424 2.530 20 30 CFEDMN C=CCN1C[C@]2(CC1=O)CCCCN2Cc1cnccc1C ZINC001272814879 780110964 /nfs/dbraw/zinc/11/09/64/780110964.db2.gz ASPUSEKRBBGPIC-GOSISDBHSA-N 0 1 299.418 2.533 20 30 CFEDMN C#CCN1CCc2c(CNC(=O)C(C)(C)C=C)cccc2C1 ZINC001272917381 780212517 /nfs/dbraw/zinc/21/25/17/780212517.db2.gz WDRABTQKIGBRTQ-UHFFFAOYSA-N 0 1 296.414 2.506 20 30 CFEDMN C=CC(C)(C)CC(=O)NCCNCc1ccccc1F ZINC001128242500 780369386 /nfs/dbraw/zinc/36/93/86/780369386.db2.gz RAFFJISVXCIMDN-UHFFFAOYSA-N 0 1 278.371 2.634 20 30 CFEDMN C=C(C)CCC(=O)NCCNCc1ccc(F)cc1F ZINC001128404671 780427244 /nfs/dbraw/zinc/42/72/44/780427244.db2.gz AWZDUOKZMDIKHD-UHFFFAOYSA-N 0 1 282.334 2.527 20 30 CFEDMN C=C(C)CCC(=O)NCCN[C@@H](C)c1ccccc1F ZINC001128418700 780434661 /nfs/dbraw/zinc/43/46/61/780434661.db2.gz RNMRABTVKDWMFV-ZDUSSCGKSA-N 0 1 278.371 2.949 20 30 CFEDMN C#C[C@H](NC(=O)c1cc(F)cc(F)c1O)c1ccccc1 ZINC001143136674 780461134 /nfs/dbraw/zinc/46/11/34/780461134.db2.gz RQUSYZZYROASAV-AWEZNQCLSA-N 0 1 287.265 2.775 20 30 CFEDMN Cc1ccc(-c2ccc(N3CCN(C)CC3)cc2)nc1C#N ZINC001240848247 780474728 /nfs/dbraw/zinc/47/47/28/780474728.db2.gz CJZPTSQZVLVMSI-UHFFFAOYSA-N 0 1 292.386 2.681 20 30 CFEDMN Cc1cc(C#N)cnc1-c1ccc(N2CCN(C)CC2)cc1 ZINC001240848895 780474902 /nfs/dbraw/zinc/47/49/02/780474902.db2.gz JKQZYDWBLMSMOA-UHFFFAOYSA-N 0 1 292.386 2.681 20 30 CFEDMN C=C(C)CN1CC[C@H](N(C)C(=O)c2cc(C)oc2C)C1 ZINC001032904614 780508462 /nfs/dbraw/zinc/50/84/62/780508462.db2.gz XXOVJMACTDBYQO-AWEZNQCLSA-N 0 1 276.380 2.619 20 30 CFEDMN CC#CCN1CC[C@@H](N(C)C(=O)C2CCCCCC2)C1 ZINC001032947327 780517226 /nfs/dbraw/zinc/51/72/26/780517226.db2.gz NPXDQGXAICQNBI-MRXNPFEDSA-N 0 1 276.424 2.513 20 30 CFEDMN C=CCN1CC[C@H](N(C)C(=O)C2CCCCCC2)C1 ZINC001032952387 780518424 /nfs/dbraw/zinc/51/84/24/780518424.db2.gz LKGBWAJBHFZBPX-HNNXBMFYSA-N 0 1 264.413 2.676 20 30 CFEDMN C=CCN1CC[C@@H](N(C)C(=O)c2ccc(CC)s2)C1 ZINC001033238598 780627262 /nfs/dbraw/zinc/62/72/62/780627262.db2.gz RPCVOQDLAFAARS-GFCCVEGCSA-N 0 1 278.421 2.643 20 30 CFEDMN C#CCN1CC[C@H](N(C)C(=O)C2CCCCCCC2)C1 ZINC001033252377 780633006 /nfs/dbraw/zinc/63/30/06/780633006.db2.gz FDCHDZWTOIQKSV-INIZCTEOSA-N 0 1 276.424 2.513 20 30 CFEDMN CC#CCN1CC[C@H](N(C)C(=O)C2CCC3(CC3)CC2)C1 ZINC001033271872 780637842 /nfs/dbraw/zinc/63/78/42/780637842.db2.gz WSVGSBGPZSFSFO-INIZCTEOSA-N 0 1 288.435 2.513 20 30 CFEDMN C=CCN1CC[C@H](N(C)C(=O)[C@@H]2C[C@@H]3CCCC[C@H]23)C1 ZINC001033291762 780641898 /nfs/dbraw/zinc/64/18/98/780641898.db2.gz PTDGERZNUXCGSI-YHUYYLMFSA-N 0 1 276.424 2.531 20 30 CFEDMN N#Cc1cnc(-c2c(F)cc(O)cc2F)c(F)c1 ZINC001241119091 780647439 /nfs/dbraw/zinc/64/74/39/780647439.db2.gz XDMQIFKIPYKGQM-UHFFFAOYSA-N 0 1 250.179 2.743 20 30 CFEDMN C=CCN1CC[C@@H](N(C)C(=O)c2coc(C(F)F)c2)C1 ZINC001033368876 780668202 /nfs/dbraw/zinc/66/82/02/780668202.db2.gz PACHJMVSTZMXEF-LLVKDONJSA-N 0 1 284.306 2.550 20 30 CFEDMN C=C(C)CN1CC[C@@H](N(C)C(=O)c2cccc(F)c2F)C1 ZINC001033374217 780669479 /nfs/dbraw/zinc/66/94/79/780669479.db2.gz YCMKSQVMOVVHDL-GFCCVEGCSA-N 0 1 294.345 2.687 20 30 CFEDMN C=CCN1CC[C@H](N(C)C(=O)[C@H]2CCCC(F)(F)C2)C1 ZINC001033412855 780676479 /nfs/dbraw/zinc/67/64/79/780676479.db2.gz JKDMQJMYTJLVIY-STQMWFEESA-N 0 1 286.366 2.531 20 30 CFEDMN C=CCN1CC[C@@H](N(C)C(=O)[C@@H](C)c2cccs2)C1 ZINC001033415600 780677067 /nfs/dbraw/zinc/67/70/67/780677067.db2.gz GDMLODCXUUROJY-QWHCGFSZSA-N 0 1 278.421 2.570 20 30 CFEDMN C=CCN1CC[C@H](N(C)C(=O)c2ccc(C3CC3)nc2C)C1 ZINC001033432919 780679993 /nfs/dbraw/zinc/67/99/93/780679993.db2.gz UJVMUHWISFKTLU-HNNXBMFYSA-N 0 1 299.418 2.600 20 30 CFEDMN C#CCN1CC[C@H](N(C)C(=O)CC2CCCCCC2)C1 ZINC001033459020 780686786 /nfs/dbraw/zinc/68/67/86/780686786.db2.gz VWTLOZONLJWSDW-INIZCTEOSA-N 0 1 276.424 2.513 20 30 CFEDMN C=CCN1CC[C@@H](N(C)C(=O)c2cccc3c2ccn3C)C1 ZINC001033512208 780698891 /nfs/dbraw/zinc/69/88/91/780698891.db2.gz GKZWSNRSYDQTNN-CQSZACIVSA-N 0 1 297.402 2.511 20 30 CFEDMN C=CC[N@@H+]1CC[C@H](N(C)C(=O)C[C@H]2CCc3ccccc32)C1 ZINC001033519837 780702519 /nfs/dbraw/zinc/70/25/19/780702519.db2.gz WYSFIVIGYDMYID-SJORKVTESA-N 0 1 298.430 2.825 20 30 CFEDMN CC#CCN1CC[C@@H](N(C)C(=O)[C@H]2CC[C@H](CC)CC2)C1 ZINC001033600667 780724378 /nfs/dbraw/zinc/72/43/78/780724378.db2.gz GUOUWXJANMFUPJ-BRWVUGGUSA-N 0 1 290.451 2.759 20 30 CFEDMN C=C(C)CN1CC[C@H](N(C)C(=O)c2ccc(F)cc2F)C1 ZINC001033629235 780734587 /nfs/dbraw/zinc/73/45/87/780734587.db2.gz XHAPSCSGTQXFIP-ZDUSSCGKSA-N 0 1 294.345 2.687 20 30 CFEDMN C=CCN1CC[C@@H](N(C)C(=O)c2sccc2C2CC2)C1 ZINC001033636252 780736919 /nfs/dbraw/zinc/73/69/19/780736919.db2.gz VRRGKCLLZVOYFV-CYBMUJFWSA-N 0 1 290.432 2.958 20 30 CFEDMN C#CCCN1CC[C@@H](N(C)C(=O)c2ccc(Cl)s2)C1 ZINC001033634966 780737921 /nfs/dbraw/zinc/73/79/21/780737921.db2.gz ATBYOXUWBUODER-LLVKDONJSA-N 0 1 296.823 2.571 20 30 CFEDMN CC#CCN1CC[C@H](N(C)C(=O)[C@H]2CCCC(C)(C)C2)C1 ZINC001033697458 780752099 /nfs/dbraw/zinc/75/20/99/780752099.db2.gz VVAUQXOJZFQHHY-HOTGVXAUSA-N 0 1 290.451 2.759 20 30 CFEDMN CC#CCN1CC[C@H](N(C)C(=O)C2(C)CCC(C)CC2)C1 ZINC001033697530 780752182 /nfs/dbraw/zinc/75/21/82/780752182.db2.gz HGPCINXMCJKWMI-PQUAAJSLSA-N 0 1 290.451 2.759 20 30 CFEDMN CC#CCN1CC[C@H](N(C)C(=O)[C@@H]2CCCC(C)(C)C2)C1 ZINC001033697457 780752280 /nfs/dbraw/zinc/75/22/80/780752280.db2.gz VVAUQXOJZFQHHY-CVEARBPZSA-N 0 1 290.451 2.759 20 30 CFEDMN C=CCN1CC[C@H](N(CC)C(=O)C2CCCCC2)C1 ZINC001033737789 780769356 /nfs/dbraw/zinc/76/93/56/780769356.db2.gz RJLWLQFHOZLQEU-HNNXBMFYSA-N 0 1 264.413 2.676 20 30 CFEDMN C=CCN1CC[C@@H](N(CC)C(=O)c2ccccc2C)C1 ZINC001033739716 780770194 /nfs/dbraw/zinc/77/01/94/780770194.db2.gz HSXWTBVQGPNAER-OAHLLOKOSA-N 0 1 272.392 2.717 20 30 CFEDMN C=C(C)CN1CC[C@H](N(CC)C(=O)c2cccs2)C1 ZINC001033734566 780770362 /nfs/dbraw/zinc/77/03/62/780770362.db2.gz FLTGFGPDNROPJC-ZDUSSCGKSA-N 0 1 278.421 2.861 20 30 CFEDMN CN1CC=C(c2nccc(C(F)(F)F)c2C#N)CC1 ZINC001241307302 780770931 /nfs/dbraw/zinc/77/09/31/780770931.db2.gz CJHSCOYAXFJZIU-UHFFFAOYSA-N 0 1 267.254 2.691 20 30 CFEDMN C=C(C)C[N@@H+]1CC[C@H](N(CC)C(=O)c2occc2C)C1 ZINC001033743389 780773222 /nfs/dbraw/zinc/77/32/22/780773222.db2.gz XVTDRIPKNNSHTK-AWEZNQCLSA-N 0 1 276.380 2.701 20 30 CFEDMN C=C(C)CN1CC[C@H](N(CC)C(=O)c2occc2C)C1 ZINC001033743389 780773228 /nfs/dbraw/zinc/77/32/28/780773228.db2.gz XVTDRIPKNNSHTK-AWEZNQCLSA-N 0 1 276.380 2.701 20 30 CFEDMN C=C(C)C[N@@H+]1CC[C@@H](N(CC)C(=O)c2cccc(C)n2)C1 ZINC001033751003 780777586 /nfs/dbraw/zinc/77/75/86/780777586.db2.gz ZNRCGMFSQFNFMA-OAHLLOKOSA-N 0 1 287.407 2.503 20 30 CFEDMN C=C(C)CN1CC[C@H](N(CC)C(=O)c2cc(C)sn2)C1 ZINC001033814853 780798736 /nfs/dbraw/zinc/79/87/36/780798736.db2.gz CVHWBSCIFCFKPZ-ZDUSSCGKSA-N 0 1 293.436 2.564 20 30 CFEDMN C=C(C)CN1CC[C@H](N(CC)C(=O)c2ccoc2CC)C1 ZINC001033816438 780799263 /nfs/dbraw/zinc/79/92/63/780799263.db2.gz KLGUFQKKLUSVGJ-AWEZNQCLSA-N 0 1 290.407 2.955 20 30 CFEDMN C#CC[N@@H+]1CC[C@@H](N(CC)C(=O)[C@@H]2C[C@H]2CC(C)(C)C)C1 ZINC001033833565 780802847 /nfs/dbraw/zinc/80/28/47/780802847.db2.gz ITNHTFILNYLTOR-ARFHVFGLSA-N 0 1 290.451 2.615 20 30 CFEDMN C#CCN1CC[C@@H](N(CC)C(=O)[C@@H]2C[C@H]2CC(C)(C)C)C1 ZINC001033833565 780802857 /nfs/dbraw/zinc/80/28/57/780802857.db2.gz ITNHTFILNYLTOR-ARFHVFGLSA-N 0 1 290.451 2.615 20 30 CFEDMN C=CCN1CC[C@@H](N(CC)C(=O)c2c(C)oc(C)c2C)C1 ZINC001033890094 780814720 /nfs/dbraw/zinc/81/47/20/780814720.db2.gz KJRZNDGPGHZRJK-OAHLLOKOSA-N 0 1 290.407 2.927 20 30 CFEDMN C=CCN1CC[C@@H](N(CC)C(=O)c2ccc3[nH]ccc3c2)C1 ZINC001033941379 780838403 /nfs/dbraw/zinc/83/84/03/780838403.db2.gz FSJCZLMPEXDJOV-MRXNPFEDSA-N 0 1 297.402 2.890 20 30 CFEDMN C=CCN1CC[C@@H](N(CC)C(=O)c2occc2Cl)C1 ZINC001033944111 780838567 /nfs/dbraw/zinc/83/85/67/780838567.db2.gz DKRJDQQAKBNYAE-LLVKDONJSA-N 0 1 282.771 2.655 20 30 CFEDMN C=CCN1CC[C@H](N(CC)C(=O)C2CCC(=C)CC2)C1 ZINC001033943720 780838914 /nfs/dbraw/zinc/83/89/14/780838914.db2.gz BJFZDSBKRDPTBI-INIZCTEOSA-N 0 1 276.424 2.842 20 30 CFEDMN C=CC[N@@H+]1CC[C@@H](N(CC)C(=O)c2ccc(CC)cc2)C1 ZINC001034033223 780861225 /nfs/dbraw/zinc/86/12/25/780861225.db2.gz DVVSWNJZFBZNOD-QGZVFWFLSA-N 0 1 286.419 2.971 20 30 CFEDMN C=CCN1CC[C@@H](N(CC)C(=O)c2ccc(CC)cc2)C1 ZINC001034033223 780861237 /nfs/dbraw/zinc/86/12/37/780861237.db2.gz DVVSWNJZFBZNOD-QGZVFWFLSA-N 0 1 286.419 2.971 20 30 CFEDMN C=CCN1CC[C@H](N(CC)C(=O)c2cccn2C(C)C)C1 ZINC001034041245 780864362 /nfs/dbraw/zinc/86/43/62/780864362.db2.gz FPWOHLWUMXWPTK-HNNXBMFYSA-N 0 1 289.423 2.791 20 30 CFEDMN C=CCN1CCCC[C@@H](NC(=O)c2ccsc2)C1 ZINC001034090202 780885123 /nfs/dbraw/zinc/88/51/23/780885123.db2.gz HTRREXMHRMLISZ-CYBMUJFWSA-N 0 1 264.394 2.518 20 30 CFEDMN CC#CCN1CCCC[C@H](NC(=O)c2ccccc2C)C1 ZINC001034092538 780888362 /nfs/dbraw/zinc/88/83/62/780888362.db2.gz RZZIPLCZLNUBQF-INIZCTEOSA-N 0 1 284.403 2.603 20 30 CFEDMN C=C(C)CN1CCCC[C@@H](NC(=O)c2scnc2C)C1 ZINC001034119533 780897813 /nfs/dbraw/zinc/89/78/13/780897813.db2.gz ADPSTUFQFWQQCK-CYBMUJFWSA-N 0 1 293.436 2.612 20 30 CFEDMN O/N=C1/CCc2cc(-c3ccc(-c4nn[nH]n4)cc3)ccc21 ZINC001241446453 780899317 /nfs/dbraw/zinc/89/93/17/780899317.db2.gz XWSVZOAKWMFHTQ-CYVLTUHYSA-N 0 1 291.314 2.658 20 30 CFEDMN C#CCN1CCCC[C@H](NC(=O)[C@H]2CCC(C)=C(C)C2)C1 ZINC001034222491 780926960 /nfs/dbraw/zinc/92/69/60/780926960.db2.gz FMEBQXYPUSCLDB-IRXDYDNUSA-N 0 1 288.435 2.727 20 30 CFEDMN CC#CCN1CCCC[C@@H](NC(=O)C23CCC(CC2)C3)C1 ZINC001034275274 780936241 /nfs/dbraw/zinc/93/62/41/780936241.db2.gz BRJNGSRYLCJEQB-UPTPFMHGSA-N 0 1 288.435 2.561 20 30 CFEDMN C=CCN1CCCC[C@@H](NC(=O)c2ccc(CC)o2)C1 ZINC001034273492 780937243 /nfs/dbraw/zinc/93/72/43/780937243.db2.gz SMCCFFHVMXMQKF-CYBMUJFWSA-N 0 1 276.380 2.612 20 30 CFEDMN CC#CCN1CCCC[C@@H](NC(=O)C2(C)CCCC2)C1 ZINC001034333209 780947882 /nfs/dbraw/zinc/94/78/82/780947882.db2.gz OVOXZUBMKRELNM-OAHLLOKOSA-N 0 1 276.424 2.561 20 30 CFEDMN C=CCN1CCCC[C@@H](NC(=O)c2cc(OC)cs2)C1 ZINC001034342978 780952435 /nfs/dbraw/zinc/95/24/35/780952435.db2.gz VCJSFFWXDBHAEG-GFCCVEGCSA-N 0 1 294.420 2.527 20 30 CFEDMN CC#CC[N@H+]1CCCC[C@H](NC(=O)C[C@@H]2CC=CCC2)C1 ZINC001034350390 780953351 /nfs/dbraw/zinc/95/33/51/780953351.db2.gz DSQZRGUEKVFCDZ-SJORKVTESA-N 0 1 288.435 2.727 20 30 CFEDMN CC#CCN1CCCC[C@H](NC(=O)C[C@@H]2CC=CCC2)C1 ZINC001034350390 780953356 /nfs/dbraw/zinc/95/33/56/780953356.db2.gz DSQZRGUEKVFCDZ-SJORKVTESA-N 0 1 288.435 2.727 20 30 CFEDMN C=C(C)C[N@H+]1CCCC[C@@H](NC(=O)c2ccc(Cl)[nH]2)C1 ZINC001034379674 780961473 /nfs/dbraw/zinc/96/14/73/780961473.db2.gz FRNGATBGTORSDC-GFCCVEGCSA-N 0 1 295.814 2.829 20 30 CFEDMN C=Cc1ccc(C(=O)N[C@@H]2CCCCN(CC#CC)C2)cc1 ZINC001034417759 780970990 /nfs/dbraw/zinc/97/09/90/780970990.db2.gz IVSHEYPHXVPYSZ-GOSISDBHSA-N 0 1 296.414 2.937 20 30 CFEDMN C=CC[N@@H+]1CCCC[C@@H](NC(=O)c2ccc(C)cc2F)C1 ZINC001034414836 780971292 /nfs/dbraw/zinc/97/12/92/780971292.db2.gz FSUMSASUKBTWNS-CQSZACIVSA-N 0 1 290.382 2.904 20 30 CFEDMN C=CCN1CCCC[C@@H](NC(=O)c2ccc(C)cc2F)C1 ZINC001034414836 780971298 /nfs/dbraw/zinc/97/12/98/780971298.db2.gz FSUMSASUKBTWNS-CQSZACIVSA-N 0 1 290.382 2.904 20 30 CFEDMN C#CCN1CCCC[C@@H](NC(=O)c2ccc(Cl)cc2)C1 ZINC001034498895 780984033 /nfs/dbraw/zinc/98/40/33/780984033.db2.gz QCGFTXZNZWMWJC-OAHLLOKOSA-N 0 1 290.794 2.558 20 30 CFEDMN CO/N=C/c1cc(C2=CCCN(C)C2)cc(F)c1F ZINC001241571815 780989553 /nfs/dbraw/zinc/98/95/53/780989553.db2.gz GLFAJUVFJYJYPU-CAOOACKPSA-N 0 1 266.291 2.664 20 30 CFEDMN CC#CCN1CCCC[C@H](NC(=O)c2cccc(C)c2C)C1 ZINC001034517460 780989722 /nfs/dbraw/zinc/98/97/22/780989722.db2.gz YSWJLJVZEXSVIT-KRWDZBQOSA-N 0 1 298.430 2.911 20 30 CFEDMN C=CCN1CCCC[C@H](NC(=O)c2cc(F)cc(F)c2)C1 ZINC001034521480 780994399 /nfs/dbraw/zinc/99/43/99/780994399.db2.gz MJSTYIJKJNBKTR-HNNXBMFYSA-N 0 1 294.345 2.735 20 30 CFEDMN C#CCN1CCCC[C@H](NC(=O)C2(C)C(C)(C)C2(C)C)C1 ZINC001034557888 780999230 /nfs/dbraw/zinc/99/92/30/780999230.db2.gz LOLLUQRQMAWUGN-AWEZNQCLSA-N 0 1 290.451 2.663 20 30 CFEDMN Cc1nc(Nc2cccc(O)c2F)c(C#N)cc1C#N ZINC001212546842 781037017 /nfs/dbraw/zinc/03/70/17/781037017.db2.gz XYCNPMNLUSHNRD-UHFFFAOYSA-N 0 1 268.251 2.722 20 30 CFEDMN CCc1nc(C#N)cc(-c2ccc3c(C)[nH]nc3c2)n1 ZINC001241639788 781039627 /nfs/dbraw/zinc/03/96/27/781039627.db2.gz QIWFQINUJSQXKW-UHFFFAOYSA-N 0 1 263.304 2.762 20 30 CFEDMN Cc1[nH]nc2ccc(-c3ncc(C#N)cc3F)cc12 ZINC001241667372 781061077 /nfs/dbraw/zinc/06/10/77/781061077.db2.gz FBFCMMGUUOWCGR-UHFFFAOYSA-N 0 1 252.252 2.944 20 30 CFEDMN C#C[C@@](C)(CC)NCc1cccnc1C(F)(F)F ZINC000704199184 781091311 /nfs/dbraw/zinc/09/13/11/781091311.db2.gz SEUJPCOTSNIWHG-LBPRGKRZSA-N 0 1 256.271 2.992 20 30 CFEDMN C#CCN1CCC(C)(NC(=O)[C@@H]2CCCCC2(C)C)CC1 ZINC001045648765 781110519 /nfs/dbraw/zinc/11/05/19/781110519.db2.gz BEDJTBKGJPGTKI-HNNXBMFYSA-N 0 1 290.451 2.807 20 30 CFEDMN C=CCN1CC2(C1)CCN(C(=O)[C@]1(C)CC=CCC1)CC2 ZINC001035712648 781159925 /nfs/dbraw/zinc/15/99/25/781159925.db2.gz XQWKXVWPGDYEKF-QGZVFWFLSA-N 0 1 288.435 2.843 20 30 CFEDMN CC#CCN1CC2(C1)CCN(C(=O)C1(C)CCCC1)CC2 ZINC001035760525 781164232 /nfs/dbraw/zinc/16/42/32/781164232.db2.gz CJOZMZWPWZCZRH-UHFFFAOYSA-N 0 1 288.435 2.514 20 30 CFEDMN C=CCN1CC2(C1)CCN(C(=O)C[C@H]1CC[C@H](C)C1)CC2 ZINC001035770208 781166706 /nfs/dbraw/zinc/16/67/06/781166706.db2.gz CUCQDQGZEOQNQB-HOTGVXAUSA-N 0 1 290.451 2.923 20 30 CFEDMN C=CCN1CC2(C1)CCN(C(=O)[C@H](C)c1ccccc1)CC2 ZINC001035839746 781177036 /nfs/dbraw/zinc/17/70/36/781177036.db2.gz YPSOMCVLDBTYCG-MRXNPFEDSA-N 0 1 298.430 2.901 20 30 CFEDMN N#CC1(c2ccc(-c3ccc4[nH]nnc4c3)nc2)CC1 ZINC001241938592 781191726 /nfs/dbraw/zinc/19/17/26/781191726.db2.gz QCYNZWTUEOLERM-UHFFFAOYSA-N 0 1 261.288 2.575 20 30 CFEDMN N#CC1(c2ccc(-c3ccc4nn[nH]c4c3)nc2)CC1 ZINC001241938592 781191730 /nfs/dbraw/zinc/19/17/30/781191730.db2.gz QCYNZWTUEOLERM-UHFFFAOYSA-N 0 1 261.288 2.575 20 30 CFEDMN N#Cc1cc(-c2ccc3nn[nH]c3c2)nc(C(F)(F)F)c1 ZINC001241938591 781191913 /nfs/dbraw/zinc/19/19/13/781191913.db2.gz PYIFDHDQLFPOEJ-UHFFFAOYSA-N 0 1 289.220 2.910 20 30 CFEDMN N#Cc1c[nH]c2cc(-c3ccc4[nH]nnc4c3)ccc12 ZINC001241942213 781197338 /nfs/dbraw/zinc/19/73/38/781197338.db2.gz SIZAUTNKTICBIC-UHFFFAOYSA-N 0 1 259.272 2.978 20 30 CFEDMN N#Cc1c[nH]c2cc(-c3ccc4nn[nH]c4c3)ccc12 ZINC001241942213 781197343 /nfs/dbraw/zinc/19/73/43/781197343.db2.gz SIZAUTNKTICBIC-UHFFFAOYSA-N 0 1 259.272 2.978 20 30 CFEDMN ON=C1CCc2cc(-c3ccc4[nH]nnc4c3)ccc21 ZINC001241943091 781198454 /nfs/dbraw/zinc/19/84/54/781198454.db2.gz VOLJHISVNMILIM-AQTBWJFISA-N 0 1 264.288 2.749 20 30 CFEDMN O/N=C1/CCc2cc(-c3ccc4nn[nH]c4c3)ccc21 ZINC001241943091 781198461 /nfs/dbraw/zinc/19/84/61/781198461.db2.gz VOLJHISVNMILIM-AQTBWJFISA-N 0 1 264.288 2.749 20 30 CFEDMN CCC(=O)N1CCC[C@@H](C)[C@H]1CNCc1ccccc1C#N ZINC001036478159 781252449 /nfs/dbraw/zinc/25/24/49/781252449.db2.gz PARPDDMKMLXHIN-RHSMWYFYSA-N 0 1 299.418 2.685 20 30 CFEDMN CCC(=O)N1CCC[C@H](C)[C@@H]1CNCc1ccccc1C#N ZINC001036478162 781252833 /nfs/dbraw/zinc/25/28/33/781252833.db2.gz PARPDDMKMLXHIN-YOEHRIQHSA-N 0 1 299.418 2.685 20 30 CFEDMN C=C(Cl)CN1CC[C@@H]2CN(C(=O)CC(C)C)CC[C@H]21 ZINC001036627286 781346010 /nfs/dbraw/zinc/34/60/10/781346010.db2.gz KGDYGKGQIKWZIQ-ZIAGYGMSSA-N 0 1 284.831 2.708 20 30 CFEDMN N#Cc1c[nH]c2ncc(-c3cccc(F)c3O)cc12 ZINC001242352313 781425261 /nfs/dbraw/zinc/42/52/61/781425261.db2.gz RJDQWUCOABNBDD-UHFFFAOYSA-N 0 1 253.236 2.946 20 30 CFEDMN N#Cc1ccc(CN2CCC[C@H](CF)C2)cc1F ZINC000711428944 781432808 /nfs/dbraw/zinc/43/28/08/781432808.db2.gz BZBSYLSLYJHMRM-GFCCVEGCSA-N 0 1 250.292 2.879 20 30 CFEDMN COc1ncc(-c2cccc(Cl)c2O)cc1C#N ZINC001242364786 781437509 /nfs/dbraw/zinc/43/75/09/781437509.db2.gz OSNSGSNCMZGJNU-UHFFFAOYSA-N 0 1 260.680 2.988 20 30 CFEDMN Cc1cc(C#N)cc(-c2ccc(N3CCN(C)CC3)nc2)c1 ZINC001242477677 781531640 /nfs/dbraw/zinc/53/16/40/781531640.db2.gz GSQSHJXQMOQRQM-UHFFFAOYSA-N 0 1 292.386 2.681 20 30 CFEDMN C=C[C@@](C)(CC)C(=O)NC[C@@]1(C)CN(CCCC)CCO1 ZINC001108189785 781559887 /nfs/dbraw/zinc/55/98/87/781559887.db2.gz KXMQMJQYHJILIZ-IRXDYDNUSA-N 0 1 296.455 2.596 20 30 CFEDMN C[NH+](C)CCOc1ccccc1-c1ccc([O-])c(C#N)c1 ZINC001242565220 781604962 /nfs/dbraw/zinc/60/49/62/781604962.db2.gz RMTFIJHFHXBJEE-UHFFFAOYSA-N 0 1 282.343 2.871 20 30 CFEDMN C=C(C)CN1C[C@@H](C)[C@H](NC(=O)c2sc(C)cc2C)C1 ZINC001079773106 781621919 /nfs/dbraw/zinc/62/19/19/781621919.db2.gz XCEHNHXHGCQSSF-TZMCWYRMSA-N 0 1 292.448 2.991 20 30 CFEDMN Cc1ccc(-c2cc3[nH]cnc3c(C#N)n2)c(C#N)c1 ZINC001242589352 781622914 /nfs/dbraw/zinc/62/29/14/781622914.db2.gz OBHRXUBMIIDFCW-UHFFFAOYSA-N 0 1 259.272 2.677 20 30 CFEDMN CC#CCN1C[C@@H](C)[C@H](NC(=O)C(C)(C)C2CCCC2)C1 ZINC001079866807 781624062 /nfs/dbraw/zinc/62/40/62/781624062.db2.gz ZKHXTKVKEDLWEL-GDBMZVCRSA-N 0 1 290.451 2.663 20 30 CFEDMN C=CC[N@@H+]1C[C@@H](C)[C@H](NC(=O)[C@@H]2CCC=CCCC2)C1 ZINC001079947476 781626982 /nfs/dbraw/zinc/62/69/82/781626982.db2.gz AUFIJPQJCBOXPT-BZUAXINKSA-N 0 1 276.424 2.745 20 30 CFEDMN CC#CC[N@H+]1C[C@@H](C)[C@H](NC(=O)[C@H]2CCC=CCCC2)C1 ZINC001079947534 781628037 /nfs/dbraw/zinc/62/80/37/781628037.db2.gz DTMHGSWNDKJCLJ-IXDOHACOSA-N 0 1 288.435 2.583 20 30 CFEDMN CC#CCN1C[C@@H](C)[C@H](NC(=O)[C@H]2CCC=CCCC2)C1 ZINC001079947534 781628044 /nfs/dbraw/zinc/62/80/44/781628044.db2.gz DTMHGSWNDKJCLJ-IXDOHACOSA-N 0 1 288.435 2.583 20 30 CFEDMN CC(=O)c1cc(-c2nccc3[nH]cc(C#N)c32)ccn1 ZINC001242608104 781636482 /nfs/dbraw/zinc/63/64/82/781636482.db2.gz GOCSWUXIIBGKLX-UHFFFAOYSA-N 0 1 262.272 2.699 20 30 CFEDMN C=CCN1C[C@@H](C)[C@H](NC(=O)c2cccc(C(F)F)c2)C1 ZINC001080820273 781679489 /nfs/dbraw/zinc/67/94/89/781679489.db2.gz YAVVEXDXOVNELF-BXUZGUMPSA-N 0 1 294.345 2.860 20 30 CFEDMN C=CCN1C[C@@H](C)[C@H](NC(=O)c2cc3cccc(C)c3o2)C1 ZINC001081004134 781688161 /nfs/dbraw/zinc/68/81/61/781688161.db2.gz QQCSNSJTIQYNFV-UKRRQHHQSA-N 0 1 298.386 2.977 20 30 CFEDMN C=CCN1C[C@@H](C)[C@H](NC(=O)C23CC(C(C)(C)C)(C2)C3)C1 ZINC001081021243 781696290 /nfs/dbraw/zinc/69/62/90/781696290.db2.gz VMTPIZOYIWKYFM-JDPPGYRCSA-N 0 1 290.451 2.825 20 30 CFEDMN COc1cc2[nH]cnc2cc1C1=CC(=O)C[C@H](C)C1 ZINC001242741432 781734822 /nfs/dbraw/zinc/73/48/22/781734822.db2.gz QVQAIKCXHHAJOG-SECBINFHSA-N 0 1 256.305 2.954 20 30 CFEDMN C#CCN1CC(C)(C)CC[C@@H]1CNC(=O)C[C@@H]1C=CCC1 ZINC001098887588 781748993 /nfs/dbraw/zinc/74/89/93/781748993.db2.gz GGNJHKCIWJMGMK-HZPDHXFCSA-N 0 1 288.435 2.583 20 30 CFEDMN C#CCN1CC(C)(C)CC[C@@H]1CNC(=O)CCC(C)C ZINC001098895038 781758070 /nfs/dbraw/zinc/75/80/70/781758070.db2.gz PSQHVDVDFPAALW-OAHLLOKOSA-N 0 1 278.440 2.663 20 30 CFEDMN COc1cc(C#N)nc(-c2cccc(O)c2Cl)c1 ZINC001242799998 781766280 /nfs/dbraw/zinc/76/62/80/781766280.db2.gz BGABXCQZPHXECH-UHFFFAOYSA-N 0 1 260.680 2.988 20 30 CFEDMN CCCCCCCOC(=O)N1CC[C@H]2C[N@@H+](C)C[C@H]21 ZINC001278353648 781788767 /nfs/dbraw/zinc/78/87/67/781788767.db2.gz MYXMPDBFVSVCAA-UONOGXRCSA-N 0 1 268.401 2.729 20 30 CFEDMN C=CCN1CC[C@@H]2CN(C(=O)[C@H]3CCC(C)=C(C)C3)[C@@H]2C1 ZINC001084368216 781790941 /nfs/dbraw/zinc/79/09/41/781790941.db2.gz ZLMHATBDVFNOAW-GVDBMIGSSA-N 0 1 288.435 2.842 20 30 CFEDMN C=C(C)CN1CC[C@@H]2CN(C(=O)C(C)(C)C(C)C)[C@@H]2C1 ZINC001084370723 781792701 /nfs/dbraw/zinc/79/27/01/781792701.db2.gz HIBMWZGKCPNCBU-HUUCEWRRSA-N 0 1 278.440 2.777 20 30 CFEDMN C=CCN1CC[C@@H]2CN(C(=O)C[C@@H]3CCC(F)(F)C3)[C@@H]2C1 ZINC001084395301 781795246 /nfs/dbraw/zinc/79/52/46/781795246.db2.gz OARHTIBWXVKMTP-BFHYXJOUSA-N 0 1 298.377 2.531 20 30 CFEDMN C=C(C)C[N@@H+]1CC[C@@H]2CN(C(=O)[C@@H](C)C(C)(C)C)[C@@H]2C1 ZINC001084453443 781795403 /nfs/dbraw/zinc/79/54/03/781795403.db2.gz OCZUPIICOCCPIO-RBSFLKMASA-N 0 1 278.440 2.777 20 30 CFEDMN C=CCN1CC[C@@H]2CN(C(=O)[C@H]3CCCC3(C)C)[C@@H]2C1 ZINC001084587521 781807435 /nfs/dbraw/zinc/80/74/35/781807435.db2.gz BRYDLALHQCKIJV-RBSFLKMASA-N 0 1 276.424 2.531 20 30 CFEDMN C=CCN1CC[C@@H]2CN(C(=O)[C@@H]3CCC(C)(C)C3)[C@@H]2C1 ZINC001084639598 781813889 /nfs/dbraw/zinc/81/38/89/781813889.db2.gz YSYSUPFKSYHTNK-RBSFLKMASA-N 0 1 276.424 2.531 20 30 CFEDMN C=CCN1CC[C@@H]2CN(C(=O)c3cccc(C4CC4)c3)[C@@H]2C1 ZINC001084857702 781848137 /nfs/dbraw/zinc/84/81/37/781848137.db2.gz RCVMYFLYTOIIFL-QZTJIDSGSA-N 0 1 296.414 2.896 20 30 CFEDMN C=CCCC(=O)[C@@H]1CCCN1C(=O)c1c(O)cccc1F ZINC000820449511 781868818 /nfs/dbraw/zinc/86/88/18/781868818.db2.gz UEPUATVVFNLJLS-LBPRGKRZSA-N 0 1 291.322 2.671 20 30 CFEDMN C=CCCC(=O)N(C)C[C@H]1CC[N@@H+]1CCOCCC(C)C ZINC001231123940 781911028 /nfs/dbraw/zinc/91/10/28/781911028.db2.gz XZBGOOIZMMQLMJ-MRXNPFEDSA-N 0 1 296.455 2.548 20 30 CFEDMN C=CCCC(=O)N(C)C[C@H]1CCN1CCOCCC(C)C ZINC001231123940 781911034 /nfs/dbraw/zinc/91/10/34/781911034.db2.gz XZBGOOIZMMQLMJ-MRXNPFEDSA-N 0 1 296.455 2.548 20 30 CFEDMN CCn1cc(CNCc2ccc(C(C)(C)C#N)cc2)cn1 ZINC000594515376 349438038 /nfs/dbraw/zinc/43/80/38/349438038.db2.gz UNCALABAFILKTI-UHFFFAOYSA-N 0 1 282.391 2.994 20 30 CFEDMN CCn1cncc1CNC1(c2ccc(C#N)cc2)CCC1 ZINC000594519643 349440228 /nfs/dbraw/zinc/44/02/28/349440228.db2.gz XKWROKOODYSJOW-UHFFFAOYSA-N 0 1 280.375 2.944 20 30 CFEDMN N#CCC1(CSc2nc(-c3ccccn3)n[nH]2)CC1 ZINC000594887060 349493949 /nfs/dbraw/zinc/49/39/49/349493949.db2.gz FOEUJHLXHBTYOI-UHFFFAOYSA-N 0 1 271.349 2.653 20 30 CFEDMN Cc1c[nH]c(CNCCSCc2ccccc2C#N)n1 ZINC000594919132 349506911 /nfs/dbraw/zinc/50/69/11/349506911.db2.gz OPOMQSXNGZGOMK-UHFFFAOYSA-N 0 1 286.404 2.613 20 30 CFEDMN N#Cc1ccc(CNCc2cccnc2N2CCCC2)s1 ZINC000594957939 349529146 /nfs/dbraw/zinc/52/91/46/349529146.db2.gz VNRGVEUJZZGHKK-UHFFFAOYSA-N 0 1 298.415 2.905 20 30 CFEDMN CCc1ncc(CNC(C)(C)c2cccc(C#N)c2)cn1 ZINC000594970245 349536067 /nfs/dbraw/zinc/53/60/67/349536067.db2.gz WGGLEXIFTXYFHW-UHFFFAOYSA-N 0 1 280.375 2.936 20 30 CFEDMN CCN(CC)C(=O)C[C@H](C)NCC1(C#N)CCCCC1 ZINC000595097017 349580329 /nfs/dbraw/zinc/58/03/29/349580329.db2.gz FYEUEMZZBODKNN-AWEZNQCLSA-N 0 1 279.428 2.697 20 30 CFEDMN CCC(CC)CN(CCC#N)C[C@H](OC)[C@@H]1CCOC1 ZINC000595348551 349608550 /nfs/dbraw/zinc/60/85/50/349608550.db2.gz SPEHZPUOBGUSCZ-CVEARBPZSA-N 0 1 282.428 2.690 20 30 CFEDMN CC(C)(C)C(F)(F)CNS(=O)(=O)CC(C)(C)CC#N ZINC000595382232 349613174 /nfs/dbraw/zinc/61/31/74/349613174.db2.gz DMMSBIHSWVVHEQ-UHFFFAOYSA-N 0 1 296.383 2.527 20 30 CFEDMN CC[C@@]1(C)CN(CCc2ccc(C#N)cc2)CCO1 ZINC000595457150 349632696 /nfs/dbraw/zinc/63/26/96/349632696.db2.gz AJFIBGUQOCRQPK-INIZCTEOSA-N 0 1 258.365 2.602 20 30 CFEDMN CC(C)(C)[C@H]1CN(CCc2ccc(C#N)cc2)CCO1 ZINC000595469210 349636633 /nfs/dbraw/zinc/63/66/33/349636633.db2.gz VNKWFXXCENZMJG-MRXNPFEDSA-N 0 1 272.392 2.848 20 30 CFEDMN CC1(C)C[C@@H](N2CCC(C#N)(c3ccccn3)CC2)CO1 ZINC000595471693 349637684 /nfs/dbraw/zinc/63/76/84/349637684.db2.gz DBMVADLVINXLRJ-CQSZACIVSA-N 0 1 285.391 2.506 20 30 CFEDMN Cc1cc(C(=O)N(Cc2ccc(C#N)cc2)C(C)C)n[nH]1 ZINC000069009056 346879752 /nfs/dbraw/zinc/87/97/52/346879752.db2.gz HAAZVKWPILXZTM-UHFFFAOYSA-N 0 1 282.347 2.641 20 30 CFEDMN CC(C)(NCC(=O)NC1CCCCC1)c1cccc(C#N)c1 ZINC000595634865 349684902 /nfs/dbraw/zinc/68/49/02/349684902.db2.gz GQIIROSMVMENDD-UHFFFAOYSA-N 0 1 299.418 2.832 20 30 CFEDMN CC(C)c1nc(CNC(C)(C)c2cccc(C#N)c2)n[nH]1 ZINC000595632554 349684025 /nfs/dbraw/zinc/68/40/25/349684025.db2.gz FPVAQDVEVYAKID-UHFFFAOYSA-N 0 1 283.379 2.825 20 30 CFEDMN C=CC[C@H]1CCCN(CC(=O)Nc2ccc(C#N)cc2)C1 ZINC000595657745 349692328 /nfs/dbraw/zinc/69/23/28/349692328.db2.gz BPUXNSPZUCGNBV-HNNXBMFYSA-N 0 1 283.375 2.785 20 30 CFEDMN CC(C)[C@@](C)(C#N)NC(=O)CN1CCC(C2CCC2)CC1 ZINC000595659072 349693123 /nfs/dbraw/zinc/69/31/23/349693123.db2.gz JGPMIIWESMTOOR-QGZVFWFLSA-N 0 1 291.439 2.553 20 30 CFEDMN C=CCN(Cc1ccc(F)c(C#N)c1)[C@@H](C)COC ZINC000595647239 349689344 /nfs/dbraw/zinc/68/93/44/349689344.db2.gz NLEOSWXQJCFZRH-LBPRGKRZSA-N 0 1 262.328 2.720 20 30 CFEDMN C[C@@]12COC[C@]1(C)CN(Cc1ccc(C#N)cc1F)C2 ZINC000595687368 349700571 /nfs/dbraw/zinc/70/05/71/349700571.db2.gz BSJFQTKLBVAGKH-IYBDPMFKSA-N 0 1 274.339 2.556 20 30 CFEDMN C[C@@]12COC[C@]1(C)CN(Cc1cn3ccccc3c1C#N)C2 ZINC000595688865 349701276 /nfs/dbraw/zinc/70/12/76/349701276.db2.gz JMBWSPNVHDQLHS-HDICACEKSA-N 0 1 295.386 2.669 20 30 CFEDMN CCC1(CC)CCCN(CC(=O)N[C@](C)(C#N)C2CC2)C1 ZINC000595753191 349724410 /nfs/dbraw/zinc/72/44/10/349724410.db2.gz RIDJOSYWXRTYMM-MRXNPFEDSA-N 0 1 291.439 2.697 20 30 CFEDMN N#Cc1ccc(NC(=O)CN2CCC[C@H](CCF)C2)cc1 ZINC000595756282 349725457 /nfs/dbraw/zinc/72/54/57/349725457.db2.gz SGZAYHYAJJLZPK-CQSZACIVSA-N 0 1 289.354 2.568 20 30 CFEDMN COc1ccc(C#N)cc1CN(C)CC1=CCSC1 ZINC000595890123 349762725 /nfs/dbraw/zinc/76/27/25/349762725.db2.gz XVPXRVYGHHAGMD-UHFFFAOYSA-N 0 1 274.389 2.672 20 30 CFEDMN CN(CC(=O)Nc1sccc1C#N)C[C@@H]1CC1(C)C ZINC000595907910 349766513 /nfs/dbraw/zinc/76/65/13/349766513.db2.gz CLECZXCJQAGEEQ-NSHDSACASA-N 0 1 277.393 2.536 20 30 CFEDMN Cc1oc(NC(=O)CN(C)C[C@H]2CC2(C)C)c(C#N)c1C ZINC000595912331 349767624 /nfs/dbraw/zinc/76/76/24/349767624.db2.gz JVMCXMTVTGYNCF-GFCCVEGCSA-N 0 1 289.379 2.685 20 30 CFEDMN CC12CC(C1)CN2Cc1nnc(-c2cccc(C#N)c2)o1 ZINC000595917645 349769054 /nfs/dbraw/zinc/76/90/54/349769054.db2.gz ZRYZAFJBXUSURV-UHFFFAOYSA-N 0 1 280.331 2.593 20 30 CFEDMN C=CCCSCCNC(=O)[C@@H](N)c1cccc(Cl)c1 ZINC000595959828 349772253 /nfs/dbraw/zinc/77/22/53/349772253.db2.gz GWRSBNIWEISGBA-ZDUSSCGKSA-N 0 1 298.839 2.765 20 30 CFEDMN CCn1nccc1CN[C@H]1CCc2ccc(C#N)cc21 ZINC000596094828 349792881 /nfs/dbraw/zinc/79/28/81/349792881.db2.gz MQFPGINMWJCRCS-INIZCTEOSA-N 0 1 266.348 2.552 20 30 CFEDMN CC(C)c1nc(CNc2c(C#N)cnc3ccccc32)n[nH]1 ZINC000294995581 199290138 /nfs/dbraw/zinc/29/01/38/199290138.db2.gz QVZQBVJHIVLMBA-UHFFFAOYSA-N 0 1 292.346 2.960 20 30 CFEDMN N#Cc1cc(NC(=O)[C@H](C2CC2)N2CCCC2)ccc1F ZINC000126787807 187262345 /nfs/dbraw/zinc/26/23/45/187262345.db2.gz WNNYMNLXTFQMFR-HNNXBMFYSA-N 0 1 287.338 2.510 20 30 CFEDMN Cc1ccc(C#N)nc1N[C@H]1CN(C)Cc2ccccc21 ZINC000596175088 349817903 /nfs/dbraw/zinc/81/79/03/349817903.db2.gz LJUSWADLQRHAMN-INIZCTEOSA-N 0 1 278.359 2.860 20 30 CFEDMN N#Cc1ccc(F)c(CN2CC[C@]3(O)CCCC[C@@H]3C2)c1 ZINC000127955032 187343761 /nfs/dbraw/zinc/34/37/61/187343761.db2.gz ZANWCAOWBWRVOF-NVXWUHKLSA-N 0 1 288.366 2.824 20 30 CFEDMN CC(C)c1nc([C@H](C)Nc2nc(C#N)c(Cl)s2)n[nH]1 ZINC000596181178 349819235 /nfs/dbraw/zinc/81/92/35/349819235.db2.gz YFCPWJJKDCHWQF-LURJTMIESA-N 0 1 296.787 2.505 20 30 CFEDMN CCCC[N@H+](C)C[C@H](C)N=c1[n-]c(C#N)c(Cl)s1 ZINC000596235972 349835589 /nfs/dbraw/zinc/83/55/89/349835589.db2.gz DJRMGFIPVJJMFD-VIFPVBQESA-N 0 1 286.832 2.622 20 30 CFEDMN CCCC[N@@H+](C)C[C@H](C)N=c1[n-]c(C#N)c(Cl)s1 ZINC000596235972 349835591 /nfs/dbraw/zinc/83/55/91/349835591.db2.gz DJRMGFIPVJJMFD-VIFPVBQESA-N 0 1 286.832 2.622 20 30 CFEDMN CO[C@@](C)([C@@H](C)Nc1nc(C#N)c(Cl)s1)C1CC1 ZINC000596271825 349849578 /nfs/dbraw/zinc/84/95/78/349849578.db2.gz CPEVGRUEPOKDEF-KRTXAFLBSA-N 0 1 285.800 2.706 20 30 CFEDMN C=CCN(CCc1ccccc1)Cc1cncnc1 ZINC000120055517 539368220 /nfs/dbraw/zinc/36/82/20/539368220.db2.gz OVCAXSDECHJHBP-UHFFFAOYSA-N 0 1 253.349 2.707 20 30 CFEDMN COc1ccnc(CN[C@@H](C)c2ccc(C#N)cc2)c1 ZINC000273253524 192088333 /nfs/dbraw/zinc/08/83/33/192088333.db2.gz YOGIUCABHXJYQE-LBPRGKRZSA-N 0 1 267.332 2.813 20 30 CFEDMN N#Cc1ccc(F)cc1CN(C[C@H]1CCOC1)C1CC1 ZINC000158483157 232240779 /nfs/dbraw/zinc/24/07/79/232240779.db2.gz UALBXGHTWKMAPI-GFCCVEGCSA-N 0 1 274.339 2.698 20 30 CFEDMN C=CCOc1ccccc1CN1CC(CCOC)C1 ZINC000668473757 539517794 /nfs/dbraw/zinc/51/77/94/539517794.db2.gz AQJYOLQIQLHSOL-UHFFFAOYSA-N 0 1 261.365 2.720 20 30 CFEDMN Cc1ccc(C=Cc2n[nH]c(S[C@H](C)C#N)n2)o1 ZINC000012840661 346232209 /nfs/dbraw/zinc/23/22/09/346232209.db2.gz ITPKOCVPHOVXOZ-VUHVRTRXSA-N 0 1 260.322 2.881 20 30 CFEDMN N#CCCN1CCN(Cc2csc3ccccc23)CC1 ZINC000028691808 346275862 /nfs/dbraw/zinc/27/58/62/346275862.db2.gz FHGULBZBQPKFGS-UHFFFAOYSA-N 0 1 285.416 2.933 20 30 CFEDMN C=CCC(F)(F)C(=O)Nc1ccc2nc(N(C)C)[nH]c2c1 ZINC000295140788 199367745 /nfs/dbraw/zinc/36/77/45/199367745.db2.gz CDAJQGYXMNCQHZ-UHFFFAOYSA-N 0 1 294.305 2.779 20 30 CFEDMN N#CCC1CCN(Cc2cccc([N+](=O)[O-])c2)CC1 ZINC000038920280 346340425 /nfs/dbraw/zinc/34/04/25/346340425.db2.gz QGQVASNHPLFWNL-UHFFFAOYSA-N 0 1 259.309 2.720 20 30 CFEDMN CC(C)N(CC(=O)N[C@@](C)(C#N)C1CC1)Cc1ccccc1 ZINC000039532755 346344177 /nfs/dbraw/zinc/34/41/77/346344177.db2.gz ZBDWNWHUWNKSFU-SFHVURJKSA-N 0 1 299.418 2.705 20 30 CFEDMN CC[C@@H]1CCCCN1CC(=O)NC1(C#N)CCCCC1 ZINC000042978540 346375477 /nfs/dbraw/zinc/37/54/77/346375477.db2.gz SSZHPOHIFWHXJO-CQSZACIVSA-N 0 1 277.412 2.594 20 30 CFEDMN CC(C)CCO[C@@H]1CCN(Cc2ccnc(C#N)c2)C1 ZINC000596616896 349956673 /nfs/dbraw/zinc/95/66/73/349956673.db2.gz DWNWGNKPZHBXOA-MRXNPFEDSA-N 0 1 273.380 2.590 20 30 CFEDMN Cc1ccc([C@H](C)N(C)CC(=O)N[C@@](C)(C#N)C2CC2)cc1 ZINC000047959692 346461366 /nfs/dbraw/zinc/46/13/66/346461366.db2.gz QQECZFIFVLLTPV-KSSFIOAISA-N 0 1 299.418 2.796 20 30 CFEDMN C[C@H](NCC1(C#N)CCCCC1)c1cnccc1N ZINC000596653187 349969188 /nfs/dbraw/zinc/96/91/88/349969188.db2.gz SLFQUPNEKJZBEM-LBPRGKRZSA-N 0 1 258.369 2.619 20 30 CFEDMN N#Cc1cccc(NC(=O)c2cc(=O)c3ccccc3[nH]2)c1 ZINC000052634171 346526672 /nfs/dbraw/zinc/52/66/72/346526672.db2.gz AEGQWVQSHNBXGH-UHFFFAOYSA-N 0 1 289.294 2.652 20 30 CFEDMN CN(Cc1nnc(-c2cccc(C#N)c2)o1)C1CCC1 ZINC000075841284 347102789 /nfs/dbraw/zinc/10/27/89/347102789.db2.gz RKTQRBGLCIEMAK-UHFFFAOYSA-N 0 1 268.320 2.593 20 30 CFEDMN CC(C)C1CCN([C@@H](C)C(=O)N[C@@](C)(C#N)C(C)C)CC1 ZINC000075833777 347101807 /nfs/dbraw/zinc/10/18/07/347101807.db2.gz UTIFJXSUWYBCIE-YOEHRIQHSA-N 0 1 293.455 2.797 20 30 CFEDMN CC(C)(C#N)C(=O)NC[C@@H](c1cccs1)N1CCCC1 ZINC000055006668 346580849 /nfs/dbraw/zinc/58/08/49/346580849.db2.gz GKFOWJFHTHPQJP-LBPRGKRZSA-N 0 1 291.420 2.551 20 30 CFEDMN C=CCN(CCOC(C)C)Cc1cccc(C#N)c1 ZINC000063300483 346699365 /nfs/dbraw/zinc/69/93/65/346699365.db2.gz HZBRAOZYIZHVSD-UHFFFAOYSA-N 0 1 258.365 2.971 20 30 CFEDMN CC(C)c1cc(C(=O)Nc2nc(-c3ccco3)n[nH]2)n[nH]1 ZINC000076462179 347139937 /nfs/dbraw/zinc/13/99/37/347139937.db2.gz ZVBQLMADXDVYOE-UHFFFAOYSA-N 0 1 286.295 2.548 20 30 CFEDMN CCCSCC(=O)Nc1nc(-c2ccco2)n[nH]1 ZINC000076462443 347140340 /nfs/dbraw/zinc/14/03/40/347140340.db2.gz PLSKCJGPECRXNV-UHFFFAOYSA-N 0 1 266.326 2.796 20 30 CFEDMN CCN(CC)[C@H](C)C(=O)Nc1sc2c(c1C#N)CCC2 ZINC000076673446 347147246 /nfs/dbraw/zinc/14/72/46/347147246.db2.gz NUSOGNMLDBSNLO-SNVBAGLBSA-N 0 1 291.420 2.777 20 30 CFEDMN CN1CCC(C#N)(NC(=O)CCCC2CCCCC2)CC1 ZINC000077039310 347165358 /nfs/dbraw/zinc/16/53/58/347165358.db2.gz QFLKGCDVUHGKSA-UHFFFAOYSA-N 0 1 291.439 2.841 20 30 CFEDMN CC(C)CCN(C)[C@@H]1CCN(c2sccc2C#N)C1=O ZINC000083168926 347448669 /nfs/dbraw/zinc/44/86/69/347448669.db2.gz PBFJWDREFWZBKG-CYBMUJFWSA-N 0 1 291.420 2.703 20 30 CFEDMN C[C@H]1C[C@H](Nc2snc(Cl)c2C#N)CN1C1CC1 ZINC000092672282 347639263 /nfs/dbraw/zinc/63/92/63/347639263.db2.gz ZZGJLQWLILFKEU-YUMQZZPRSA-N 0 1 282.800 2.705 20 30 CFEDMN CCOC(=O)C1(C)CCN(Cc2cccc(C#N)c2)CC1 ZINC000092824008 347648428 /nfs/dbraw/zinc/64/84/28/347648428.db2.gz XBVSHQMWUKBMTR-UHFFFAOYSA-N 0 1 286.375 2.723 20 30 CFEDMN CN(CC(=O)N(CCC#N)c1ccccc1)CC1CCC1 ZINC000111299522 347753058 /nfs/dbraw/zinc/75/30/58/347753058.db2.gz RKNKTSQZVWAXJA-UHFFFAOYSA-N 0 1 285.391 2.665 20 30 CFEDMN N#Cc1ccc(CN2CCC[C@@H](CCO)C2)c(Cl)c1 ZINC000163668560 348034288 /nfs/dbraw/zinc/03/42/88/348034288.db2.gz STALOMGARVSODE-LBPRGKRZSA-N 0 1 278.783 2.806 20 30 CFEDMN CN1CC[N@@H+](CCCCC(C)(C)C#N)CC1(C)C ZINC000234336856 348220315 /nfs/dbraw/zinc/22/03/15/348220315.db2.gz UPBUUNUESAENRJ-UHFFFAOYSA-N 0 1 251.418 2.732 20 30 CFEDMN CCN(Cc1cc(C#N)ccc1F)[C@H]1CCCOC1 ZINC000402847266 348583424 /nfs/dbraw/zinc/58/34/24/348583424.db2.gz RENMRWWAGRNJML-AWEZNQCLSA-N 0 1 262.328 2.698 20 30 CFEDMN CC[C@H]1CN(CCOc2ccc(C#N)cc2)[C@@H](CC)CO1 ZINC000403888300 348587914 /nfs/dbraw/zinc/58/79/14/348587914.db2.gz PZPOJRLXEKDHBK-HOTGVXAUSA-N 0 1 288.391 2.826 20 30 CFEDMN CCO[C@H]1CCCN(Cc2ccc(C#N)c(F)c2)C1 ZINC000403989847 348589485 /nfs/dbraw/zinc/58/94/85/348589485.db2.gz IWKHXKYBAVVKEU-AWEZNQCLSA-N 0 1 262.328 2.698 20 30 CFEDMN CC(C)O[C@@H]1CCCN(Cc2ccccc2C#N)C1 ZINC000404671352 348594412 /nfs/dbraw/zinc/59/44/12/348594412.db2.gz BRGFKGYNGZUNGF-MRXNPFEDSA-N 0 1 258.365 2.948 20 30 CFEDMN Cc1ccc(CNCc2ccc(CC#N)cc2)nc1 ZINC000400890986 348575528 /nfs/dbraw/zinc/57/55/28/348575528.db2.gz AQISLUCFLQJFNM-UHFFFAOYSA-N 0 1 251.333 2.746 20 30 CFEDMN C=CCC1(C(=O)Nc2ccn(-c3ccncc3)n2)CCCC1 ZINC000449865867 348619985 /nfs/dbraw/zinc/61/99/85/348619985.db2.gz WQJMPGYPEPTCCS-UHFFFAOYSA-N 0 1 296.374 2.764 20 30 CFEDMN CC[N@H+]1CCN(c2cc(C#N)nc3ccccc32)[C@@H](C)C1 ZINC000588068880 348770741 /nfs/dbraw/zinc/77/07/41/348770741.db2.gz LBLUYSPAWKMMHA-ZDUSSCGKSA-N 0 1 280.375 2.637 20 30 CFEDMN CCN(CCC#N)C(=O)CN(C)C(C)(C)c1ccccc1 ZINC000585754548 348743523 /nfs/dbraw/zinc/74/35/23/348743523.db2.gz QVDKLOHNCAVQKC-UHFFFAOYSA-N 0 1 287.407 2.616 20 30 CFEDMN N#Cc1cccc(-c2nc(-c3ccc4[nH]cnc4c3)no2)n1 ZINC000589367058 348830061 /nfs/dbraw/zinc/83/00/61/348830061.db2.gz PXMGURCVDBDCBW-UHFFFAOYSA-N 0 1 288.270 2.547 20 30 CFEDMN CC[C@H]1CN(C)CCN1c1nc(C(F)(F)F)ccc1C#N ZINC000590146890 348878702 /nfs/dbraw/zinc/87/87/02/348878702.db2.gz YBBDVOSSAJWNOK-NSHDSACASA-N 0 1 298.312 2.502 20 30 CFEDMN CO[C@]1(C(F)(F)F)CCCN([C@H]2CC[C@H](C#N)C2)C1 ZINC000590175425 348883108 /nfs/dbraw/zinc/88/31/08/348883108.db2.gz OOLJRPOBUSEQRS-SDDRHHMPSA-N 0 1 276.302 2.722 20 30 CFEDMN CC(C)[C@H](C#N)N1CCN(C[C@H]2CCC(F)(F)C2)CC1 ZINC000590709302 348932536 /nfs/dbraw/zinc/93/25/36/348932536.db2.gz GXZDALANXXLRIP-KBPBESRZSA-N 0 1 285.382 2.588 20 30 CFEDMN Cc1cc(C#N)ccc1CN[C@@](C)(CO)c1cccc(O)c1 ZINC000590742330 348940231 /nfs/dbraw/zinc/94/02/31/348940231.db2.gz KVYNNIWJCFJHJX-SFHVURJKSA-N 0 1 296.370 2.570 20 30 CFEDMN C[C@H](NC(=O)c1cc2[nH]cnc2cc1F)[C@@H]1CCCO1 ZINC000329309238 539694487 /nfs/dbraw/zinc/69/44/87/539694487.db2.gz PGVSROZOKIVVSH-SDBXPKJASA-N 0 1 277.299 2.574 20 30 CFEDMN CCN(CCC#N)C[C@H]1CCCN(C(=O)C(C)(C)C)C1 ZINC000590602117 348914433 /nfs/dbraw/zinc/91/44/33/348914433.db2.gz FRWVEOQGBDUBMZ-CQSZACIVSA-N 0 1 279.428 2.507 20 30 CFEDMN N#Cc1ccc2c(c1)CC[C@@H]2NCc1ccncc1F ZINC000590653716 348921898 /nfs/dbraw/zinc/92/18/98/348921898.db2.gz CEZDIHNYPVDNJE-INIZCTEOSA-N 0 1 267.307 2.869 20 30 CFEDMN Cn1nc(CNCC(C)(C)CC#N)c2ccccc21 ZINC000590970624 348974298 /nfs/dbraw/zinc/97/42/98/348974298.db2.gz DJVZGBZAJMEHCO-UHFFFAOYSA-N 0 1 256.353 2.603 20 30 CFEDMN C[C@H](NCC(=O)N1CCCC[C@@H]1C)c1cccc(C#N)c1 ZINC000591022986 348979625 /nfs/dbraw/zinc/97/96/25/348979625.db2.gz NYEGTDYTJVPTIU-KBPBESRZSA-N 0 1 285.391 2.610 20 30 CFEDMN CC(C)c1ccccc1OC[C@@H](O)CNCC(C)(C)C#N ZINC000591759402 349041997 /nfs/dbraw/zinc/04/19/97/349041997.db2.gz MKMMXCWLZWSHII-AWEZNQCLSA-N 0 1 290.407 2.689 20 30 CFEDMN CC(C)(C#N)CNC[C@@H](O)COc1ccc2ccccc2c1 ZINC000591758935 349042167 /nfs/dbraw/zinc/04/21/67/349042167.db2.gz BRUMRESAJARVCI-MRXNPFEDSA-N 0 1 298.386 2.719 20 30 CFEDMN N#Cc1cnccc1CN1CC[C@H](c2ccccc2)C1 ZINC000592068114 349078333 /nfs/dbraw/zinc/07/83/33/349078333.db2.gz GRMJHDUTNHIWQD-INIZCTEOSA-N 0 1 263.344 2.943 20 30 CFEDMN COc1ccccc1[C@@H]1CCN(Cc2ccncc2C#N)C1 ZINC000592072074 349079984 /nfs/dbraw/zinc/07/99/84/349079984.db2.gz IVIPWWSCJTZWQH-OAHLLOKOSA-N 0 1 293.370 2.951 20 30 CFEDMN CC(C)O[C@H]1C[C@H](NCc2ccncc2C#N)C1(C)C ZINC000592124801 349087161 /nfs/dbraw/zinc/08/71/61/349087161.db2.gz HIXLKMQBDMYQQF-GJZGRUSLSA-N 0 1 273.380 2.635 20 30 CFEDMN N#Cc1cnccc1CN1CC[C@@H](C2CCCC2)C1 ZINC000592124729 349087258 /nfs/dbraw/zinc/08/72/58/349087258.db2.gz LIAOKBUWHMJGFK-OAHLLOKOSA-N 0 1 255.365 2.965 20 30 CFEDMN N#Cc1cccc(/C=C/c2nc([C@H]3CCCN3)no2)c1 ZINC000592357167 349107730 /nfs/dbraw/zinc/10/77/30/349107730.db2.gz RSQNEXIRJIZBMA-KTRBRXNASA-N 0 1 266.304 2.536 20 30 CFEDMN CCO[C@@H]1C[C@@H](NCc2cccc(F)c2C#N)[C@@H]1SC ZINC000592173100 349094398 /nfs/dbraw/zinc/09/43/98/349094398.db2.gz NIGREWDLMLAZET-KFWWJZLASA-N 0 1 294.395 2.696 20 30 CFEDMN N#CC1(CN2CCC[C@H](O)[C@H]2CCc2ccccc2)CC1 ZINC000592165160 349094936 /nfs/dbraw/zinc/09/49/36/349094936.db2.gz AEGCAZCJTCJNAD-SJORKVTESA-N 0 1 284.403 2.748 20 30 CFEDMN C[C@@H](Oc1ccccc1C#N)c1nc([C@@H]2CCCN2)no1 ZINC000592357185 349108095 /nfs/dbraw/zinc/10/80/95/349108095.db2.gz SPINGQYENYAYLO-PWSUYJOCSA-N 0 1 284.319 2.506 20 30 CFEDMN N#C[C@@H]1CCC[C@@H]1NC([O-])=[NH+][C@@H]1[C@@H]2Cc3ccccc3[C@@H]21 ZINC000329732396 539723105 /nfs/dbraw/zinc/72/31/05/539723105.db2.gz IUFDAPNTDIKTOP-YPUPRDRTSA-N 0 1 281.359 2.521 20 30 CFEDMN N#C[C@@H]1CCC[C@@H]1NC(=O)N[C@@H]1[C@@H]2Cc3ccccc3[C@@H]21 ZINC000329732396 539723108 /nfs/dbraw/zinc/72/31/08/539723108.db2.gz IUFDAPNTDIKTOP-YPUPRDRTSA-N 0 1 281.359 2.521 20 30 CFEDMN Cc1cc2cc(CN3CC[C@](O)(CC#N)C3)oc2cc1C ZINC000592522678 349132742 /nfs/dbraw/zinc/13/27/42/349132742.db2.gz POFXIRPSBDNDSR-QGZVFWFLSA-N 0 1 284.359 2.900 20 30 CFEDMN N#Cc1ccc(NC(=O)CN2CCC23CCCC3)cc1 ZINC000593040672 349192672 /nfs/dbraw/zinc/19/26/72/349192672.db2.gz YBPRYYFESGABBB-UHFFFAOYSA-N 0 1 269.348 2.515 20 30 CFEDMN C[C@@H](CO)C1CCN(Cc2cccc(C#N)c2F)CC1 ZINC000593079825 349203395 /nfs/dbraw/zinc/20/33/95/349203395.db2.gz ASVPPDKEYBFEGU-LBPRGKRZSA-N 0 1 276.355 2.538 20 30 CFEDMN N#CC(CCc1ccccc1)C(=O)NCC1(C#N)CCCC1 ZINC000593786411 349327530 /nfs/dbraw/zinc/32/75/30/349327530.db2.gz JCFFKQNYZHMPCZ-MRXNPFEDSA-N 0 1 295.386 2.959 20 30 CFEDMN N#Cc1ccc(CN2CCC(c3cccnc3)CC2)nc1 ZINC000593969307 349342668 /nfs/dbraw/zinc/34/26/68/349342668.db2.gz BWPWVMGKKKENNY-UHFFFAOYSA-N 0 1 278.359 2.728 20 30 CFEDMN COc1cccc(C[C@H](C)NCC2(C#N)CCCC2)n1 ZINC000593653723 349304975 /nfs/dbraw/zinc/30/49/75/349304975.db2.gz VMPRGEBKOZMXCS-ZDUSSCGKSA-N 0 1 273.380 2.695 20 30 CFEDMN Cn1cnc2cc(CNCC3(C#N)CCCC3)ccc21 ZINC000593653201 349305048 /nfs/dbraw/zinc/30/50/48/349305048.db2.gz FFGUXLXGQHQXOF-UHFFFAOYSA-N 0 1 268.364 2.747 20 30 CFEDMN COc1cc(C[N@H+]2CC[C@@]3(CC3(F)F)C2)ccc1C#N ZINC000593697584 349312590 /nfs/dbraw/zinc/31/25/90/349312590.db2.gz MMEBKLILVMUMMP-CQSZACIVSA-N 0 1 278.302 2.798 20 30 CFEDMN CCN(C)[C@H](C(=O)NCC1(C#N)CCCC1)c1ccccc1 ZINC000593777712 349324348 /nfs/dbraw/zinc/32/43/48/349324348.db2.gz AGGRJVMWVSSKMW-INIZCTEOSA-N 0 1 299.418 2.880 20 30 CFEDMN CCc1ccc([C@H]2CNCCN2C(=O)CCCCC#N)cc1 ZINC000594444562 349423843 /nfs/dbraw/zinc/42/38/43/349423843.db2.gz TXSRKTQSFNVIOR-QGZVFWFLSA-N 0 1 299.418 2.806 20 30 CFEDMN CCCCCc1cc(C(=O)N(C)[C@@H](C)CC#N)n[nH]1 ZINC000597144440 350037972 /nfs/dbraw/zinc/03/79/72/350037972.db2.gz RCLSJOFBMDEKOZ-NSHDSACASA-N 0 1 262.357 2.517 20 30 CFEDMN N#CC[C@@H]1CCCN(Cc2cc3cnccc3o2)C1 ZINC000597177518 350045428 /nfs/dbraw/zinc/04/54/28/350045428.db2.gz NYGQJLPHTWTUTH-LBPRGKRZSA-N 0 1 255.321 2.953 20 30 CFEDMN N#CC[C@H]1CCCN(Cc2ccc3c(n2)CCC3)C1 ZINC000597178507 350045620 /nfs/dbraw/zinc/04/56/20/350045620.db2.gz ZMAXKHHCHBEORA-CYBMUJFWSA-N 0 1 255.365 2.696 20 30 CFEDMN C[C@]1(C#N)CCN(CCCc2ccc3c(c2)CCO3)C1 ZINC000597233030 350066931 /nfs/dbraw/zinc/06/69/31/350066931.db2.gz ZLPRMTJLQQRWTJ-QGZVFWFLSA-N 0 1 270.376 2.790 20 30 CFEDMN C[C@H](CC#N)C(=O)N1C[C@H](C)N(Cc2ccccc2)C[C@@H]1C ZINC000597458673 350099938 /nfs/dbraw/zinc/09/99/38/350099938.db2.gz RYCHWFLEEJCQOX-PMPSAXMXSA-N 0 1 299.418 2.658 20 30 CFEDMN CC[C@H]1C[N@@H+](CC)CCN1C(=O)CC1(C#N)CCCCC1 ZINC000597734842 350130775 /nfs/dbraw/zinc/13/07/75/350130775.db2.gz DWINHQVSCLNJLA-HNNXBMFYSA-N 0 1 291.439 2.793 20 30 CFEDMN CC[C@H]1CN(CC)CCN1C(=O)CC1(C#N)CCCCC1 ZINC000597734842 350130779 /nfs/dbraw/zinc/13/07/79/350130779.db2.gz DWINHQVSCLNJLA-HNNXBMFYSA-N 0 1 291.439 2.793 20 30 CFEDMN N#Cc1cccc([C@@H]2C[C@H]2c2nc(C3(N)CCCC3)no2)c1 ZINC000414624349 233307266 /nfs/dbraw/zinc/30/72/66/233307266.db2.gz GFPDEALZKHCCKT-UONOGXRCSA-N 0 1 294.358 2.940 20 30 CFEDMN C=CCCSCCNC(=O)c1cc(F)cc2nc[nH]c21 ZINC000597972143 350167238 /nfs/dbraw/zinc/16/72/38/350167238.db2.gz QMIJKFRVVLLEIR-UHFFFAOYSA-N 0 1 293.367 2.741 20 30 CFEDMN C[C@H](C(=O)Nc1ccccc1C#N)N1CCC(C)(C)C1 ZINC000091439786 180156031 /nfs/dbraw/zinc/15/60/31/180156031.db2.gz PHPPUHJGEAULCU-GFCCVEGCSA-N 0 1 271.364 2.617 20 30 CFEDMN C=CCCO[C@H](C)C(=O)Nc1c(C)n[nH]c1C(F)F ZINC000271325710 191074485 /nfs/dbraw/zinc/07/44/85/191074485.db2.gz YFBCLTMXVYMBSR-MRVPVSSYSA-N 0 1 273.283 2.575 20 30 CFEDMN CCN(CC)Cc1ccc(C(=O)N([C@H](C)C#N)C2CC2)o1 ZINC000598131005 350204699 /nfs/dbraw/zinc/20/46/99/350204699.db2.gz VZWVLHOYGFBZEB-GFCCVEGCSA-N 0 1 289.379 2.638 20 30 CFEDMN Cc1nc2cc(NC[C@H](O)CC(C)(C)C#N)ccc2n1C ZINC000598725964 350320224 /nfs/dbraw/zinc/32/02/24/350320224.db2.gz KSZPXOQPWQCMNO-CYBMUJFWSA-N 0 1 286.379 2.594 20 30 CFEDMN Cc1csc([C@@H]2CCCN2C[C@H](O)CC(C)(C)C#N)n1 ZINC000598590133 350287495 /nfs/dbraw/zinc/28/74/95/350287495.db2.gz KRJOOQPIHPKVTB-OLZOCXBDSA-N 0 1 293.436 2.889 20 30 CFEDMN Cc1csc(C2(NC[C@H](O)CC(C)(C)C#N)CCC2)n1 ZINC000598611295 350293909 /nfs/dbraw/zinc/29/39/09/350293909.db2.gz HIBOVWLAGXMNCX-GFCCVEGCSA-N 0 1 293.436 2.721 20 30 CFEDMN CCN(CC)C(=O)[C@H]1CCCN1Cc1ccc(C)c(C#N)c1 ZINC000599282807 350406469 /nfs/dbraw/zinc/40/64/69/350406469.db2.gz LWEWZMLDRBDNSD-QGZVFWFLSA-N 0 1 299.418 2.700 20 30 CFEDMN Cc1nn(C)c(C)c1CN[C@@H](C)c1cccc(C#N)c1 ZINC000092324696 180362474 /nfs/dbraw/zinc/36/24/74/180362474.db2.gz OUTPFJWTDUMDNC-NSHDSACASA-N 0 1 268.364 2.759 20 30 CFEDMN C[C@@](C#N)(NC(=O)CN1CC(C)(C)CCC1(C)C)C1CC1 ZINC000599539209 350453206 /nfs/dbraw/zinc/45/32/06/350453206.db2.gz YOWLDBYIDRDNGB-KRWDZBQOSA-N 0 1 291.439 2.695 20 30 CFEDMN N#CCc1cccc2c1CCN(CCOCC1CC1)C2 ZINC000599679091 350480816 /nfs/dbraw/zinc/48/08/16/350480816.db2.gz PCEUAZVFEGQUSV-UHFFFAOYSA-N 0 1 270.376 2.537 20 30 CFEDMN COC[C@]1(C)CN(CCC2(C#N)CCCCC2)CCO1 ZINC000599696854 350485312 /nfs/dbraw/zinc/48/53/12/350485312.db2.gz OFRFZUGTHMGOAV-HNNXBMFYSA-N 0 1 280.412 2.588 20 30 CFEDMN C=CC1CCN(CC(=O)N[C@@H]2CCC[C@@H](C)[C@@H]2C)CC1 ZINC000600683132 350596303 /nfs/dbraw/zinc/59/63/03/350596303.db2.gz MNZQWQBPWKHUBT-IJEWVQPXSA-N 0 1 278.440 2.825 20 30 CFEDMN N#CC1(C[C@H](O)CNCc2c(F)cccc2Cl)CC1 ZINC000600719966 350600752 /nfs/dbraw/zinc/60/07/52/350600752.db2.gz XQRDMPWYJMUGNR-JTQLQIEISA-N 0 1 282.746 2.623 20 30 CFEDMN CC[C@@H](CC(=O)NC1(C#N)CCN(C)CC1)C(C)(C)C ZINC000601043099 350649317 /nfs/dbraw/zinc/64/93/17/350649317.db2.gz RXPYBAQREZFKQL-ZDUSSCGKSA-N 0 1 279.428 2.553 20 30 CFEDMN C=CC[C@H](CO)NCc1c(F)cccc1Br ZINC000309599573 539804583 /nfs/dbraw/zinc/80/45/83/539804583.db2.gz VYQGFRTWLBKWAY-SECBINFHSA-N 0 1 288.160 2.615 20 30 CFEDMN COc1cncc(CNCc2ccc(C#N)c(OC)c2)c1C ZINC000601124427 350675082 /nfs/dbraw/zinc/67/50/82/350675082.db2.gz FKKGONVAYKLSQH-UHFFFAOYSA-N 0 1 297.358 2.569 20 30 CFEDMN N#CCC[C@H](NCc1ccc(=O)[nH]c1)c1ccccc1 ZINC000601114242 350671500 /nfs/dbraw/zinc/67/15/00/350671500.db2.gz NUXVAACOQYSVNU-HNNXBMFYSA-N 0 1 267.332 2.922 20 30 CFEDMN CC(C)(CC#N)CNCc1ccncc1Br ZINC000601127717 350675794 /nfs/dbraw/zinc/67/57/94/350675794.db2.gz OFJBMJCITIHYCU-UHFFFAOYSA-N 0 1 282.185 2.874 20 30 CFEDMN C[C@@H]1[C@H](C)N(C)CCN1c1ncc(C#N)c2ccsc21 ZINC000601136698 350679050 /nfs/dbraw/zinc/67/90/50/350679050.db2.gz JOAGOQGVAUXVMI-WDEREUQCSA-N 0 1 286.404 2.697 20 30 CFEDMN C[C@H]1[C@H](C)N(c2ncc(C#N)c3ccsc32)CCN1C ZINC000601136697 350679247 /nfs/dbraw/zinc/67/92/47/350679247.db2.gz JOAGOQGVAUXVMI-QWRGUYRKSA-N 0 1 286.404 2.697 20 30 CFEDMN N#C[C@@H]1CC[C@@H](N2CCN(c3cccc(F)c3)CC2)C1 ZINC000601314435 350721742 /nfs/dbraw/zinc/72/17/42/350721742.db2.gz GMZHBYBNTRCLFB-CZUORRHYSA-N 0 1 273.355 2.640 20 30 CFEDMN Cc1[nH]n(-c2cc(F)c(F)cc2F)c(=O)c1CCC#N ZINC000601948648 350815474 /nfs/dbraw/zinc/81/54/74/350815474.db2.gz XCBSZDOFNWEJIG-MRVPVSSYSA-N 0 1 281.237 2.746 20 30 CFEDMN Cc1[nH]n(-c2cccc(F)c2F)c(=O)c1CCC#N ZINC000601950080 350816952 /nfs/dbraw/zinc/81/69/52/350816952.db2.gz UBPUBKWNQRVMJT-VIFPVBQESA-N 0 1 263.247 2.607 20 30 CFEDMN Cc1[nH]n(CCCOCc2ccccc2)c(=O)c1CCC#N ZINC000601954612 350817706 /nfs/dbraw/zinc/81/77/06/350817706.db2.gz QIQUCZRAOOZDPF-INIZCTEOSA-N 0 1 299.374 2.731 20 30 CFEDMN C[C@H](c1cccc(C#N)c1)N(C)[C@@H]1CCCCN(C)C1=O ZINC000601971913 350821798 /nfs/dbraw/zinc/82/17/98/350821798.db2.gz XFXOSSYOOFZYMD-CZUORRHYSA-N 0 1 285.391 2.562 20 30 CFEDMN CN(C(=O)c1cnc(-c2ccccc2)[nH]1)[C@H]1CCC[C@H]1C#N ZINC000601810976 350781489 /nfs/dbraw/zinc/78/14/89/350781489.db2.gz APRXWQCBKPNMCI-ZFWWWQNUSA-N 0 1 294.358 2.841 20 30 CFEDMN C[C@@H]1OCC[C@@H]1Cn1[nH]c(C(C)(C)C)c(CCC#N)c1=O ZINC000601923078 350803062 /nfs/dbraw/zinc/80/30/62/350803062.db2.gz OJXUWZBJYZGFKZ-NWDGAFQWSA-N 0 1 291.395 2.767 20 30 CFEDMN Cc1[nH]n(Cc2cnc3ccccc3c2)c(=O)c1CCC#N ZINC000601944105 350812769 /nfs/dbraw/zinc/81/27/69/350812769.db2.gz JUIVGCYMKBNPFH-OAHLLOKOSA-N 0 1 292.342 2.873 20 30 CFEDMN N#Cc1c(F)cccc1CNC[C@H](CO)Cc1ccccc1 ZINC000602008300 350829736 /nfs/dbraw/zinc/82/97/36/350829736.db2.gz SZCHSIPNQHDTRT-OAHLLOKOSA-N 0 1 298.361 2.638 20 30 CFEDMN C[C@@]1(CNCc2cccc(F)c2C#N)CCCC[C@@H]1O ZINC000602011658 350830741 /nfs/dbraw/zinc/83/07/41/350830741.db2.gz JGZMPEKVPVKGSE-HOTGVXAUSA-N 0 1 276.355 2.728 20 30 CFEDMN C[C@@H](NCc1cccc(F)c1C#N)[C@@H]1CCCCO1 ZINC000602015766 350832204 /nfs/dbraw/zinc/83/22/04/350832204.db2.gz PBCQUZPXKPLCFP-ABAIWWIYSA-N 0 1 262.328 2.745 20 30 CFEDMN CC[C@@H](CSC)NCc1cccc(F)c1C#N ZINC000602016124 350832208 /nfs/dbraw/zinc/83/22/08/350832208.db2.gz VGDKTNGXERQDLP-NSHDSACASA-N 0 1 252.358 2.929 20 30 CFEDMN CC(C)CC[C@H](CO)NCc1cccc(F)c1C#N ZINC000602016993 350833414 /nfs/dbraw/zinc/83/34/14/350833414.db2.gz LDARLEHYTDIUBE-CYBMUJFWSA-N 0 1 264.344 2.584 20 30 CFEDMN C[C@H]1SCC[C@H]1NCc1cccc(F)c1C#N ZINC000602019834 350833744 /nfs/dbraw/zinc/83/37/44/350833744.db2.gz JPAXUEHVBCGJPO-NOZJJQNGSA-N 0 1 250.342 2.681 20 30 CFEDMN C[C@H](CNCc1cccc(F)c1C#N)C(=O)OC(C)(C)C ZINC000602027996 350834798 /nfs/dbraw/zinc/83/47/98/350834798.db2.gz LFZNEAGFRPUKNB-LLVKDONJSA-N 0 1 292.354 2.765 20 30 CFEDMN CC(C)(C)OCCCNCc1cccc(F)c1C#N ZINC000602027984 350834880 /nfs/dbraw/zinc/83/48/80/350834880.db2.gz KXCVEPGHDXTOGF-UHFFFAOYSA-N 0 1 264.344 2.992 20 30 CFEDMN CC[C@@H](COCC1CC1)NCc1cccc(F)c1C#N ZINC000602029833 350836184 /nfs/dbraw/zinc/83/61/84/350836184.db2.gz YVKDLNMJPOYJQN-AWEZNQCLSA-N 0 1 276.355 2.992 20 30 CFEDMN C[C@H](C(=O)Nc1ccccc1S[C@@H](C)CC#N)N(C)C ZINC000602097791 350840482 /nfs/dbraw/zinc/84/04/82/350840482.db2.gz PNAUXSFJTAGCNH-NWDGAFQWSA-N 0 1 291.420 2.969 20 30 CFEDMN N#CC1(CNC(=O)[C@@H]2CCN2C2CCCC2)CCCCC1 ZINC000602183486 350849913 /nfs/dbraw/zinc/84/99/13/350849913.db2.gz NCTHUYHWTOHCLF-HNNXBMFYSA-N 0 1 289.423 2.594 20 30 CFEDMN N#Cc1ccc(F)c(CN2CCC(n3ccnc3)CC2)c1 ZINC000111243731 186375932 /nfs/dbraw/zinc/37/59/32/186375932.db2.gz XXUKFOWJUOITBE-UHFFFAOYSA-N 0 1 284.338 2.731 20 30 CFEDMN C=CCSCCNCc1nc2cc(F)ccc2o1 ZINC000602000823 350827326 /nfs/dbraw/zinc/82/73/26/350827326.db2.gz LRULVDNGXTXCJP-UHFFFAOYSA-N 0 1 266.341 2.976 20 30 CFEDMN C[C@@H]1CCCC[C@H]1OCCNCc1cccc(C#N)n1 ZINC000602514818 350911107 /nfs/dbraw/zinc/91/11/07/350911107.db2.gz MGIXXGIFERDVCJ-CZUORRHYSA-N 0 1 273.380 2.638 20 30 CFEDMN C[C@H]1CCCC[C@H]1OCCNCc1cccc(C#N)n1 ZINC000602514821 350911562 /nfs/dbraw/zinc/91/15/62/350911562.db2.gz MGIXXGIFERDVCJ-XJKSGUPXSA-N 0 1 273.380 2.638 20 30 CFEDMN COC(=O)c1[nH]c(CN[C@@H](C)c2cccc(C#N)c2)cc1C ZINC000602564382 350925781 /nfs/dbraw/zinc/92/57/81/350925781.db2.gz FHCTUFXJGFSGAB-LBPRGKRZSA-N 0 1 297.358 2.832 20 30 CFEDMN C[C@@H](CC1(C#N)CCOCC1)NCc1ccc(Cl)cn1 ZINC000602579574 350931700 /nfs/dbraw/zinc/93/17/00/350931700.db2.gz CJICJQDJKICIKH-LBPRGKRZSA-N 0 1 293.798 2.924 20 30 CFEDMN CO[C@H](c1ccccc1F)[C@H](C)NCc1cccc(C#N)n1 ZINC000602582052 350933618 /nfs/dbraw/zinc/93/36/18/350933618.db2.gz MTZJBIUDBQAPHF-SJCJKPOMSA-N 0 1 299.349 2.958 20 30 CFEDMN C=C(C)CN(CC)Cc1cc(C(=O)OC)cs1 ZINC000602428211 350878298 /nfs/dbraw/zinc/87/82/98/350878298.db2.gz HRCUAQDHLUHSSY-UHFFFAOYSA-N 0 1 253.367 2.933 20 30 CFEDMN CN(CCOc1ccc(F)cc1)Cc1cccc(C#N)n1 ZINC000602434943 350881416 /nfs/dbraw/zinc/88/14/16/350881416.db2.gz HMOYZUUJCSPIOM-UHFFFAOYSA-N 0 1 285.322 2.603 20 30 CFEDMN C=CC1CCN(Cc2cc(C)c(C(=O)OC)[nH]2)CC1 ZINC000602473493 350896198 /nfs/dbraw/zinc/89/61/98/350896198.db2.gz NXZRPOVSIHWJSN-UHFFFAOYSA-N 0 1 262.353 2.508 20 30 CFEDMN COc1cc2c(cc1F)CC[C@H]2NCc1cccc(C#N)n1 ZINC000602657352 350963803 /nfs/dbraw/zinc/96/38/03/350963803.db2.gz FPAVMDNSDSVXDO-MRXNPFEDSA-N 0 1 297.333 2.878 20 30 CFEDMN C[C@@H](CC1(C#N)CCOCC1)NCC1(C#N)CCCC1 ZINC000602701045 350986753 /nfs/dbraw/zinc/98/67/53/350986753.db2.gz ZRVYHHSTUGNBFE-AWEZNQCLSA-N 0 1 275.396 2.759 20 30 CFEDMN CC[C@@](C)(CN1CCN(c2ccsc2C#N)CC1)OC ZINC000602711000 350992942 /nfs/dbraw/zinc/99/29/42/350992942.db2.gz ZVIIGAOKDDOKIA-HNNXBMFYSA-N 0 1 293.436 2.557 20 30 CFEDMN Cc1ncc([C@@H](C)N2CCC[C@@H](CC#N)C2)c(C)n1 ZINC000602710866 350993178 /nfs/dbraw/zinc/99/31/78/350993178.db2.gz ZAMUBILFYQHBLD-OCCSQVGLSA-N 0 1 258.369 2.780 20 30 CFEDMN C[C@H](CCC#N)CN1C[C@@H](C)O[C@H](CC(F)(F)F)C1 ZINC000602717001 350996554 /nfs/dbraw/zinc/99/65/54/350996554.db2.gz KDXJVTSHHPHORT-IJLUTSLNSA-N 0 1 278.318 2.968 20 30 CFEDMN N#Cc1cccc(C2(NCc3ccns3)CCOCC2)c1 ZINC000602716642 350996604 /nfs/dbraw/zinc/99/66/04/350996604.db2.gz IXYRDTMPPUODGP-UHFFFAOYSA-N 0 1 299.399 2.810 20 30 CFEDMN Cc1ccc(CN[C@@H](C)CC2(C#N)CCOCC2)o1 ZINC000602739444 351009864 /nfs/dbraw/zinc/00/98/64/351009864.db2.gz FJEWBQNNRBZRNV-LBPRGKRZSA-N 0 1 262.353 2.777 20 30 CFEDMN N#CC1CCC(NCc2nc(-c3ccccc3)no2)CC1 ZINC000602614931 350947256 /nfs/dbraw/zinc/94/72/56/350947256.db2.gz BLRWMRMSOUFFCO-UHFFFAOYSA-N 0 1 282.347 2.909 20 30 CFEDMN CC[C@@H](CC(F)(F)F)NCc1cccc(C#N)n1 ZINC000602618171 350948119 /nfs/dbraw/zinc/94/81/19/350948119.db2.gz QJZDYASBNHHTEN-VIFPVBQESA-N 0 1 257.259 2.774 20 30 CFEDMN C[C@H](c1nccs1)N1CCN(C[C@@H](C)CCC#N)CC1 ZINC000602616956 350948122 /nfs/dbraw/zinc/94/81/22/350948122.db2.gz KURWRUYOQSPHOL-UONOGXRCSA-N 0 1 292.452 2.762 20 30 CFEDMN C[N@@H+](CCOc1ccccc1F)CC1(CC#N)CC1 ZINC000602765176 351016946 /nfs/dbraw/zinc/01/69/46/351016946.db2.gz DTIBPQWTOAFJBC-UHFFFAOYSA-N 0 1 262.328 2.830 20 30 CFEDMN CCCN(CCN(C#N)CC)Cc1ccc(C#N)cc1 ZINC000602763595 351017522 /nfs/dbraw/zinc/01/75/22/351017522.db2.gz QJCKWFFFWKCGIQ-UHFFFAOYSA-N 0 1 270.380 2.573 20 30 CFEDMN CCN1C[C@@H](CN(C)CC2(CC#N)CC2)Oc2ccccc21 ZINC000602767321 351018473 /nfs/dbraw/zinc/01/84/73/351018473.db2.gz PFLRXJHTWBXQFC-OAHLLOKOSA-N 0 1 299.418 2.900 20 30 CFEDMN CN(Cc1ccc(C(=O)NC2CC2)cc1)CC1(CC#N)CC1 ZINC000602780925 351022859 /nfs/dbraw/zinc/02/28/59/351022859.db2.gz CXPDOTUDRCMIPQ-UHFFFAOYSA-N 0 1 297.402 2.704 20 30 CFEDMN N#CCC1(CN[C@@H](CN2CCCC2=O)c2ccccc2)CC1 ZINC000602796475 351028210 /nfs/dbraw/zinc/02/82/10/351028210.db2.gz ATKFSZMPIWSFTL-INIZCTEOSA-N 0 1 297.402 2.634 20 30 CFEDMN Cc1cccnc1OC1CCN(CC2(CC#N)CC2)CC1 ZINC000602817544 351036078 /nfs/dbraw/zinc/03/60/78/351036078.db2.gz JITHCOBJUYTDTF-UHFFFAOYSA-N 0 1 285.391 2.927 20 30 CFEDMN CC(C)N(CC(=O)N1CCCCCC1)CC1(CC#N)CC1 ZINC000602825496 351038129 /nfs/dbraw/zinc/03/81/29/351038129.db2.gz CBLQQEXZTGYFNM-UHFFFAOYSA-N 0 1 291.439 2.793 20 30 CFEDMN CSc1cccc(CN2C[C@@H](C)N(CC#N)[C@@H](C)C2)c1 ZINC000602850065 351045113 /nfs/dbraw/zinc/04/51/13/351045113.db2.gz OLVZXJRTZYEFBP-OKILXGFUSA-N 0 1 289.448 2.827 20 30 CFEDMN C[C@H](CC#N)NCCCc1nc(-c2ccccc2)no1 ZINC000602861713 351049637 /nfs/dbraw/zinc/04/96/37/351049637.db2.gz HWPZNCZBMJCSCM-GFCCVEGCSA-N 0 1 270.336 2.561 20 30 CFEDMN C[C@H](CC#N)NCCC(=O)Nc1ccc(Cl)cc1 ZINC000602870641 351053084 /nfs/dbraw/zinc/05/30/84/351053084.db2.gz VBUIEAVFUPETOH-SNVBAGLBSA-N 0 1 265.744 2.560 20 30 CFEDMN C[C@@H](CC#N)NCC1(O)CCC(c2ccccc2)CC1 ZINC000602871745 351053884 /nfs/dbraw/zinc/05/38/84/351053884.db2.gz VRSKZYCNSNPAIH-OOHWJJMZSA-N 0 1 272.392 2.967 20 30 CFEDMN C[C@@H](CC#N)NCCC(=O)Nc1ccccc1C(F)(F)F ZINC000602871194 351053959 /nfs/dbraw/zinc/05/39/59/351053959.db2.gz ZASYZZXWQFCYDI-JTQLQIEISA-N 0 1 299.296 2.926 20 30 CFEDMN N#Cc1ccc(CCN2CCC[C@H]2c2ncccn2)cc1 ZINC000602897355 351060364 /nfs/dbraw/zinc/06/03/64/351060364.db2.gz IXRCTQJRXYYUEJ-INIZCTEOSA-N 0 1 278.359 2.728 20 30 CFEDMN N#Cc1ccc(C2CCN(Cc3ccns3)CC2)nc1 ZINC000602908035 351063016 /nfs/dbraw/zinc/06/30/16/351063016.db2.gz XXQBGPXEIUWHLM-UHFFFAOYSA-N 0 1 284.388 2.789 20 30 CFEDMN Cc1ccccc1N1CCN(CC2(CC#N)CC2)CC1 ZINC000602757944 351014524 /nfs/dbraw/zinc/01/45/24/351014524.db2.gz CFLWQLYCJJTLCL-UHFFFAOYSA-N 0 1 269.392 2.811 20 30 CFEDMN CN(CCC(=O)Nc1cccc(F)c1)[C@@H]1CCC[C@H]1C#N ZINC000602975874 351076412 /nfs/dbraw/zinc/07/64/12/351076412.db2.gz IFBWYQIXDZICTR-SWLSCSKDSA-N 0 1 289.354 2.778 20 30 CFEDMN CN(CCCC(=O)OC(C)(C)C)[C@H]1CCC[C@H]1C#N ZINC000602980245 351081231 /nfs/dbraw/zinc/08/12/31/351081231.db2.gz NRHJWZJYASVYRG-STQMWFEESA-N 0 1 266.385 2.732 20 30 CFEDMN CN(CCC(=O)Nc1cccc(C#N)c1)[C@@H]1CCC[C@H]1C#N ZINC000602980358 351081366 /nfs/dbraw/zinc/08/13/66/351081366.db2.gz PGGZOUDKHGZRSC-GOEBONIOSA-N 0 1 296.374 2.511 20 30 CFEDMN CO[C@H](Cc1ccccc1)CN(C)[C@H]1CCC[C@H]1C#N ZINC000602981663 351083642 /nfs/dbraw/zinc/08/36/42/351083642.db2.gz HRTZFSGAGBQUPV-BBWFWOEESA-N 0 1 272.392 2.868 20 30 CFEDMN Cc1[nH]n(-c2ccccc2Cl)c(=O)c1CCC#N ZINC000603923925 351192313 /nfs/dbraw/zinc/19/23/13/351192313.db2.gz RHISLBKMZKXZJW-JTQLQIEISA-N 0 1 261.712 2.982 20 30 CFEDMN COCc1cc(C#N)ccc1NCc1n[nH]c(C(C)(C)C)n1 ZINC000603392096 351155342 /nfs/dbraw/zinc/15/53/42/351155342.db2.gz IQOQAOAHUVOSSC-UHFFFAOYSA-N 0 1 299.378 2.732 20 30 CFEDMN CC#CCN(C)CCOc1ccc(Br)cc1 ZINC000607725496 351356431 /nfs/dbraw/zinc/35/64/31/351356431.db2.gz YHTNXNOKNBSJND-UHFFFAOYSA-N 0 1 282.181 2.783 20 30 CFEDMN C[C@@H](N[C@@H](C)C(=O)N1CCC(C)CC1)c1cccc(C#N)c1 ZINC000610346627 351556923 /nfs/dbraw/zinc/55/69/23/351556923.db2.gz ZJQXREVLPIFDDH-CABCVRRESA-N 0 1 299.418 2.856 20 30 CFEDMN C[C@@H](N[C@@H](C)c1cccc(C#N)c1)C(=O)N1CCC(C)CC1 ZINC000610346630 351557290 /nfs/dbraw/zinc/55/72/90/351557290.db2.gz ZJQXREVLPIFDDH-LSDHHAIUSA-N 0 1 299.418 2.856 20 30 CFEDMN CCN1CCCC[C@@H]1C(=O)N[C@H](C)c1cccc(C#N)c1 ZINC000610364371 351559856 /nfs/dbraw/zinc/55/98/56/351559856.db2.gz SJWKVMQWODUMKA-CZUORRHYSA-N 0 1 285.391 2.610 20 30 CFEDMN CC[C@H](O)CN(Cc1ccccc1)Cc1ccnc(C#N)c1 ZINC000610995178 351632362 /nfs/dbraw/zinc/63/23/62/351632362.db2.gz TVLQKNKVWLTXBU-SFHVURJKSA-N 0 1 295.386 2.726 20 30 CFEDMN Cc1ccccc1OCCN(C)Cc1ccnc(C#N)c1 ZINC000610995320 351632490 /nfs/dbraw/zinc/63/24/90/351632490.db2.gz MILSEYAAXYGPPH-UHFFFAOYSA-N 0 1 281.359 2.773 20 30 CFEDMN CN(CCOc1ccc(F)cc1)Cc1ccnc(C#N)c1 ZINC000610995276 351632566 /nfs/dbraw/zinc/63/25/66/351632566.db2.gz FNCAFVJLRQVZOT-UHFFFAOYSA-N 0 1 285.322 2.603 20 30 CFEDMN N#CCN(Cc1[nH]nc2ccccc21)C1CCCC1 ZINC000611272701 351662388 /nfs/dbraw/zinc/66/23/88/351662388.db2.gz KMGRBJACTMRPGP-UHFFFAOYSA-N 0 1 254.337 2.831 20 30 CFEDMN N#Cc1cc(CN2CCC[C@H](Oc3ccccc3)C2)ccn1 ZINC000610993222 351629694 /nfs/dbraw/zinc/62/96/94/351629694.db2.gz IOBNBJOQGLOAMP-SFHVURJKSA-N 0 1 293.370 2.997 20 30 CFEDMN N#Cc1cc(CN2CCC[C@H]2c2ccc(O)cc2)ccn1 ZINC000610993410 351631237 /nfs/dbraw/zinc/63/12/37/351631237.db2.gz OPVNZGMPCIGDCV-KRWDZBQOSA-N 0 1 279.343 2.996 20 30 CFEDMN COc1cccc(CN[C@H](C)c2cccc(C#N)c2)n1 ZINC000611386765 351677955 /nfs/dbraw/zinc/67/79/55/351677955.db2.gz UNKUAOBRRYKYFD-GFCCVEGCSA-N 0 1 267.332 2.813 20 30 CFEDMN N#Cc1cc(CN2CC[C@@H](COc3ccccc3)C2)ccn1 ZINC000611554883 351707338 /nfs/dbraw/zinc/70/73/38/351707338.db2.gz XJRCOYFJWHKKJV-MRXNPFEDSA-N 0 1 293.370 2.854 20 30 CFEDMN Cc1n[nH]cc1[C@H](C)NC1(c2cccc(C#N)c2)CC1 ZINC000611521628 351703701 /nfs/dbraw/zinc/70/37/01/351703701.db2.gz MIMAPBYFCYARKY-NSHDSACASA-N 0 1 266.348 2.930 20 30 CFEDMN CC(C)[C@H](C#N)N1CCN(CCCc2ccsc2)CC1 ZINC000611930092 351752009 /nfs/dbraw/zinc/75/20/09/351752009.db2.gz UNOKKCWSSWCLGF-INIZCTEOSA-N 0 1 291.464 2.846 20 30 CFEDMN CC1(C#N)CCN(Cc2[nH]nc3ccccc32)CC1 ZINC000611561322 351708497 /nfs/dbraw/zinc/70/84/97/351708497.db2.gz CQEWANYLZPJMGZ-UHFFFAOYSA-N 0 1 254.337 2.689 20 30 CFEDMN N#Cc1ccc(CN2CCCC[C@H]2c2nnc[nH]2)c(F)c1 ZINC000121667908 186988691 /nfs/dbraw/zinc/98/86/91/186988691.db2.gz GWNZXMOSMWYZPO-AWEZNQCLSA-N 0 1 285.326 2.543 20 30 CFEDMN C=C[C@](C)(O)C(=O)Nc1cccc2c1CN(CC(C)C)C2 ZINC000612710951 351855307 /nfs/dbraw/zinc/85/53/07/351855307.db2.gz GUOKYJQZQGZAFO-KRWDZBQOSA-N 0 1 288.391 2.534 20 30 CFEDMN C[C@H](C(=O)Nc1cccc(C#N)c1)N1CCC2(CCC2)C1 ZINC000123201542 187077496 /nfs/dbraw/zinc/07/74/96/187077496.db2.gz FRWKZLHXROECLH-CYBMUJFWSA-N 0 1 283.375 2.761 20 30 CFEDMN Cc1[nH]ncc1CNc1nc(C(C)(C)C)ccc1C#N ZINC000613417039 351954827 /nfs/dbraw/zinc/95/48/27/351954827.db2.gz YGSLHYVCICCZFR-UHFFFAOYSA-N 0 1 269.352 2.894 20 30 CFEDMN C[C@H]1[C@H](C)N(c2nc(C(C)(C)C)ccc2C#N)CCN1C ZINC000613430983 351958132 /nfs/dbraw/zinc/95/81/32/351958132.db2.gz JOMSPOMNSVTALJ-STQMWFEESA-N 0 1 286.423 2.780 20 30 CFEDMN C[N@@H+](CC1(CC#N)CC1)[C@H]1CCN(Cc2ccccc2)C1 ZINC000381813793 539829552 /nfs/dbraw/zinc/82/95/52/539829552.db2.gz BJJIFABMJPAFDY-KRWDZBQOSA-N 0 1 283.419 2.887 20 30 CFEDMN Cc1cc(C#N)ccc1CN[C@H](CO)c1cccc(F)c1 ZINC000614407166 352090869 /nfs/dbraw/zinc/09/08/69/352090869.db2.gz GVZSJGOAXUGLMJ-QGZVFWFLSA-N 0 1 284.334 2.829 20 30 CFEDMN COC[C@H]1CCCN1Cc1ccc(C#N)cc1Cl ZINC000615227833 352170631 /nfs/dbraw/zinc/17/06/31/352170631.db2.gz WQHUEERQPAEABV-CYBMUJFWSA-N 0 1 264.756 2.822 20 30 CFEDMN Cc1cc(C#N)ccc1CN1C[C@H](C)O[C@H](C)[C@@H]1C ZINC000615000402 352140464 /nfs/dbraw/zinc/14/04/64/352140464.db2.gz YAFSOVAVRBGKKO-MELADBBJSA-N 0 1 258.365 2.864 20 30 CFEDMN C=CCN(C[C@H](O)c1c(F)cccc1F)C1CC1 ZINC000271476290 191159934 /nfs/dbraw/zinc/15/99/34/191159934.db2.gz RWQUHYYTUAHXHL-ZDUSSCGKSA-N 0 1 253.292 2.649 20 30 CFEDMN C=CCN(C[C@@H](O)c1c(F)cccc1F)C1CC1 ZINC000271476289 191160538 /nfs/dbraw/zinc/16/05/38/191160538.db2.gz RWQUHYYTUAHXHL-CYBMUJFWSA-N 0 1 253.292 2.649 20 30 CFEDMN C[C@]1(C#N)CCCN(C[C@@H](O)C2CCCCC2)C1 ZINC000616113951 352286078 /nfs/dbraw/zinc/28/60/78/352286078.db2.gz KSGOIAKPFHCYDE-HUUCEWRRSA-N 0 1 250.386 2.553 20 30 CFEDMN C#CCOc1ccc([C@@H](C)N[C@H](C)c2n[nH]c(CC)n2)cc1 ZINC000271491266 191170654 /nfs/dbraw/zinc/17/06/54/191170654.db2.gz LAQICOXJCAAJBZ-CHWSQXEVSA-N 0 1 298.390 2.791 20 30 CFEDMN N#Cc1ccc(O[C@@H]2CCN(Cc3ccc(F)cc3)C2)nc1 ZINC000292084055 198157154 /nfs/dbraw/zinc/15/71/54/198157154.db2.gz DUSHVJUGQSBZFJ-MRXNPFEDSA-N 0 1 297.333 2.746 20 30 CFEDMN C=CCCC1(CNC(=O)Cc2cc(C)n[nH]2)CCCC1 ZINC000617417393 352562144 /nfs/dbraw/zinc/56/21/44/352562144.db2.gz XHSCXRQWHBPHHB-UHFFFAOYSA-N 0 1 275.396 2.903 20 30 CFEDMN CC[C@@H]1CCCCN1C(=O)CN[C@H](C)c1ccc(C#N)cc1 ZINC000271621905 191246568 /nfs/dbraw/zinc/24/65/68/191246568.db2.gz CYQJHCPFXOWROI-RHSMWYFYSA-N 0 1 299.418 3.000 20 30 CFEDMN N#Cc1cc(CN2CC[C@H](CC(F)(F)F)C2)ccn1 ZINC000618311001 352751797 /nfs/dbraw/zinc/75/17/97/352751797.db2.gz AOQWKHXXYIEKDD-LLVKDONJSA-N 0 1 269.270 2.728 20 30 CFEDMN CCn1nccc1CN[C@@H]1CCc2cc(C#N)ccc21 ZINC000618743075 352876158 /nfs/dbraw/zinc/87/61/58/352876158.db2.gz VVNAVABQLOSTJB-MRXNPFEDSA-N 0 1 266.348 2.552 20 30 CFEDMN C[C@H](N[C@@H]1CCc2cc(C#N)ccc21)c1ccnn1C ZINC000618804803 352884311 /nfs/dbraw/zinc/88/43/11/352884311.db2.gz CUIJDZZEURHUMF-XHDPSFHLSA-N 0 1 266.348 2.630 20 30 CFEDMN N#CCCn1cc(CN2CC=CCC2)c(-c2ccncc2)n1 ZINC000619073855 352946340 /nfs/dbraw/zinc/94/63/40/352946340.db2.gz BEWQPBOTXRPOMF-UHFFFAOYSA-N 0 1 293.374 2.621 20 30 CFEDMN N#Cc1cc(CN2CCOC[C@@H](C3CCC3)C2)ccc1F ZINC000292223423 198208887 /nfs/dbraw/zinc/20/88/87/198208887.db2.gz VDNZHHPNDXPKRN-INIZCTEOSA-N 0 1 288.366 2.946 20 30 CFEDMN Cc1nc2cccc(C(=O)N[C@H](C#N)CC(C)C)c2[nH]1 ZINC000619806213 353067400 /nfs/dbraw/zinc/06/74/00/353067400.db2.gz AROAMMAAIFZUOW-NSHDSACASA-N 0 1 270.336 2.539 20 30 CFEDMN C[C@]1(C#N)CCC[N@@H+](CCCC2(C#N)CCOCC2)C1 ZINC000619621202 353040944 /nfs/dbraw/zinc/04/09/44/353040944.db2.gz JDSXMIPWOHKIBT-OAHLLOKOSA-N 0 1 275.396 2.713 20 30 CFEDMN C[C@]1(C#N)CCCN(CCCC2(C#N)CCOCC2)C1 ZINC000619621202 353040948 /nfs/dbraw/zinc/04/09/48/353040948.db2.gz JDSXMIPWOHKIBT-OAHLLOKOSA-N 0 1 275.396 2.713 20 30 CFEDMN CC#CCCN(Cc1nc2ccccc2c(=O)[nH]1)[C@H](C)CC ZINC000156641281 188273723 /nfs/dbraw/zinc/27/37/23/188273723.db2.gz JOJMTXXFIUYOTF-CQSZACIVSA-N 0 1 297.402 2.937 20 30 CFEDMN C=CCOCCSc1nc2ccc(OC)cc2[nH]1 ZINC000292593132 198344331 /nfs/dbraw/zinc/34/43/31/198344331.db2.gz FHMVVYYWNNXBCQ-UHFFFAOYSA-N 0 1 264.350 2.866 20 30 CFEDMN N#Cc1ccc(CN2CCOC[C@H](C3CCC3)C2)s1 ZINC000292699454 198380861 /nfs/dbraw/zinc/38/08/61/198380861.db2.gz CDZNGJGXYQLBPG-CYBMUJFWSA-N 0 1 276.405 2.868 20 30 CFEDMN C=C(C)CN(CC)C(=O)[C@@H]1C[C@H](C)Cc2c[nH]nc21 ZINC000623176060 353590665 /nfs/dbraw/zinc/59/06/65/353590665.db2.gz COKIAJFZWLNVKZ-DGCLKSJQSA-N 0 1 261.369 2.500 20 30 CFEDMN C=CC(C)(C)CCNC(=O)N[C@@H]1CCCc2cn[nH]c21 ZINC000624464950 353887019 /nfs/dbraw/zinc/88/70/19/353887019.db2.gz WTYLDABUFCWPFP-GFCCVEGCSA-N 0 1 276.384 2.689 20 30 CFEDMN C=CCCN(C)CC(=O)Nc1ccc(Cl)c(F)c1 ZINC000625365910 354033908 /nfs/dbraw/zinc/03/39/08/354033908.db2.gz VPCKSABJQYBBEE-UHFFFAOYSA-N 0 1 270.735 2.926 20 30 CFEDMN C=CC[C@@H]1CC[N@@H+](CC(=O)NC2CCCCCC2)C1 ZINC000625699420 354088400 /nfs/dbraw/zinc/08/84/00/354088400.db2.gz DUVSSKPIPSLEAO-CQSZACIVSA-N 0 1 264.413 2.723 20 30 CFEDMN C=CC[C@@H]1CCN(CC(=O)Nc2ccc(OCC)cc2)C1 ZINC000625701871 354088757 /nfs/dbraw/zinc/08/87/57/354088757.db2.gz UBROEPNTCAMJPZ-CQSZACIVSA-N 0 1 288.391 2.922 20 30 CFEDMN C#CC[C@@H](NCC(=O)N(CC(C)C)C1CC1)c1ccccc1 ZINC000271731952 191294800 /nfs/dbraw/zinc/29/48/00/191294800.db2.gz SNFNGGWCAJQOKQ-GOSISDBHSA-N 0 1 298.430 2.988 20 30 CFEDMN C=CC[C@H]1CCN(C(=O)[C@H](C)N2CCc3ccccc3C2)C1 ZINC000628488043 354605333 /nfs/dbraw/zinc/60/53/33/354605333.db2.gz QMEUEHKQUROBPS-HOTGVXAUSA-N 0 1 298.430 2.858 20 30 CFEDMN C=C1CC(C)(C(=O)Nc2cccc(-c3nnc[nH]3)c2)C1 ZINC000631283925 355386572 /nfs/dbraw/zinc/38/65/72/355386572.db2.gz MRGJJCIWXNVNLG-UHFFFAOYSA-N 0 1 268.320 2.767 20 30 CFEDMN C=CCC[C@@H](NC(=O)CCc1c[nH]nn1)c1ccccc1 ZINC000632001982 355625719 /nfs/dbraw/zinc/62/57/19/355625719.db2.gz HXYABOAEJWSLGB-OAHLLOKOSA-N 0 1 284.363 2.561 20 30 CFEDMN C=CCC[C@@H](NC(=O)CCc1cnn[nH]1)c1ccccc1 ZINC000632001982 355625722 /nfs/dbraw/zinc/62/57/22/355625722.db2.gz HXYABOAEJWSLGB-OAHLLOKOSA-N 0 1 284.363 2.561 20 30 CFEDMN CC#CCN1CCC2(CC1)OCCc1ccsc12 ZINC000334323461 540189794 /nfs/dbraw/zinc/18/97/94/540189794.db2.gz ZKEVCPTUFIPCJK-UHFFFAOYSA-N 0 1 261.390 2.635 20 30 CFEDMN N#Cc1ccc(C(=O)Nc2nc3ccc(F)cc3[nH]2)cc1 ZINC000488933457 283135075 /nfs/dbraw/zinc/13/50/75/283135075.db2.gz JCADZVDOUAVVPW-UHFFFAOYSA-N 0 1 280.262 2.826 20 30 CFEDMN C=CCCC(C)(C)CNC(=O)CN(C)[C@H]1CCSC1 ZINC000633964864 356044732 /nfs/dbraw/zinc/04/47/32/356044732.db2.gz FLPOYYNAYUOHJM-ZDUSSCGKSA-N 0 1 284.469 2.532 20 30 CFEDMN N#Cc1ccc2nc(-c3ccc4c(c3)OCCO4)[nH]c2c1 ZINC000105668461 283191736 /nfs/dbraw/zinc/19/17/36/283191736.db2.gz FNDSFOURNWOMHY-UHFFFAOYSA-N 0 1 277.283 2.873 20 30 CFEDMN N#Cc1cccc(CN[C@H]2COCc3ccccc32)c1 ZINC000225991111 283206600 /nfs/dbraw/zinc/20/66/00/283206600.db2.gz IVYSTJDGNCNZJQ-KRWDZBQOSA-N 0 1 264.328 2.919 20 30 CFEDMN N#Cc1ccccc1CN1CCC([C@@H]2CCCO2)CC1 ZINC000189230738 283214489 /nfs/dbraw/zinc/21/44/89/283214489.db2.gz INWAGZDZRFOMAB-KRWDZBQOSA-N 0 1 270.376 2.949 20 30 CFEDMN C=C(C)CN(CC)C(=O)[C@H](C)N[C@H](C)c1cnccc1C ZINC000679944584 542255117 /nfs/dbraw/zinc/25/51/17/542255117.db2.gz NYDQGDFHISXVMB-CABCVRRESA-N 0 1 289.423 2.854 20 30 CFEDMN C=CCOc1cccc(CNCc2n[nH]c(C(C)C)n2)c1 ZINC000294706832 199145153 /nfs/dbraw/zinc/14/51/53/199145153.db2.gz DJRYIPJSGSFZTA-UHFFFAOYSA-N 0 1 286.379 2.783 20 30 CFEDMN CCc1nc(CNc2ccc(Cl)cc2C#N)n[nH]1 ZINC000294843996 199210193 /nfs/dbraw/zinc/21/01/93/199210193.db2.gz BKCJYTXEFLRHNZ-UHFFFAOYSA-N 0 1 261.716 2.504 20 30 CFEDMN C#CCOc1ccc(CN[C@@H](C)c2cnn(CC)c2)cc1 ZINC000294882126 199229102 /nfs/dbraw/zinc/22/91/02/199229102.db2.gz QFPMQQZLQDLFII-AWEZNQCLSA-N 0 1 283.375 2.766 20 30 CFEDMN C=CCCCCCN(C)C(=O)c1ccc(CN)o1 ZINC000237045676 540413026 /nfs/dbraw/zinc/41/30/26/540413026.db2.gz IRPBDCKPXBYOQY-UHFFFAOYSA-N 0 1 250.342 2.557 20 30 CFEDMN Cc1nc2cc(NCc3nc(C#N)cs3)ccc2n1C ZINC000589316946 540587420 /nfs/dbraw/zinc/58/74/20/540587420.db2.gz SHMBGEUWZZDHCJ-UHFFFAOYSA-N 0 1 283.360 2.822 20 30 CFEDMN C#C[C@@H](C)NCc1c(C)nc2scc(C3CC3)n12 ZINC000298136766 200342887 /nfs/dbraw/zinc/34/28/87/200342887.db2.gz QLUHAWKVKAXBSC-SECBINFHSA-N 0 1 259.378 2.693 20 30 CFEDMN C[C@@H](N(C)CC(=O)Nc1sccc1C#N)C1(C)CC1 ZINC000177233096 189037946 /nfs/dbraw/zinc/03/79/46/189037946.db2.gz BNEYDEXTQOAHSU-SNVBAGLBSA-N 0 1 277.393 2.679 20 30 CFEDMN C=CC[C@H]1N(C(=O)N[C@H]2CCCN(C)C2)CCCC1(C)C ZINC000683542133 540770820 /nfs/dbraw/zinc/77/08/20/540770820.db2.gz CZWGQLGMKKJWHR-LSDHHAIUSA-N 0 1 293.455 2.857 20 30 CFEDMN C=C(C)COCCNCc1cccc(OC)c1F ZINC000163835202 540808783 /nfs/dbraw/zinc/80/87/83/540808783.db2.gz VXAJMGQUGCTSOC-UHFFFAOYSA-N 0 1 253.317 2.517 20 30 CFEDMN C=C[C@H](CC(=O)N1[C@H](C)CN(C)C[C@H]1C)c1ccccc1 ZINC000179570999 189202896 /nfs/dbraw/zinc/20/28/96/189202896.db2.gz IPLPJFHDXAMPFG-BZUAXINKSA-N 0 1 286.419 2.897 20 30 CFEDMN C#CCCCCC(=O)NC[C@@H](c1cccc(F)c1)N(C)C ZINC000179658417 189211248 /nfs/dbraw/zinc/21/12/48/189211248.db2.gz LJLNRNMYJDFYFG-INIZCTEOSA-N 0 1 290.382 2.738 20 30 CFEDMN C=C(Br)CN[C@@H](CCCO)c1ccccc1 ZINC000179745613 189217548 /nfs/dbraw/zinc/21/75/48/189217548.db2.gz KHNVDHUBJNNZJK-ZDUSSCGKSA-N 0 1 284.197 2.998 20 30 CFEDMN C=CC[C@H]1N(C(=O)CCc2cnc[nH]2)CCCC1(C)C ZINC000357333178 540953693 /nfs/dbraw/zinc/95/36/93/540953693.db2.gz COPKFWKVMWPODN-CQSZACIVSA-N 0 1 275.396 2.936 20 30 CFEDMN N#Cc1ccc(CN(Cc2ccccc2)[C@@H](CO)C2CC2)o1 ZINC000184789661 189395871 /nfs/dbraw/zinc/39/58/71/189395871.db2.gz JEKSVSCFSZTIJX-SFHVURJKSA-N 0 1 296.370 2.924 20 30 CFEDMN CN1CC[C@H](Nc2ncccc2C#N)[C@@H]1c1ccc(F)cc1 ZINC000301853860 201233370 /nfs/dbraw/zinc/23/33/70/201233370.db2.gz QKFFPDWWJXTVFD-HOTGVXAUSA-N 0 1 296.349 2.950 20 30 CFEDMN C[C@H](c1cccc(C#N)c1)N(C)Cc1n[nH]c(C2CC2)n1 ZINC000425537270 239092642 /nfs/dbraw/zinc/09/26/42/239092642.db2.gz QIFLOQMEWVZEAC-LLVKDONJSA-N 0 1 281.363 2.747 20 30 CFEDMN N#Cc1cccc(C[NH2+][C@H](C(=O)[O-])c2cccs2)c1 ZINC000426783045 239262935 /nfs/dbraw/zinc/26/29/35/239262935.db2.gz ILKZAISZOYBPGU-ZDUSSCGKSA-N 0 1 272.329 2.535 20 30 CFEDMN CC1=CCN(CCNc2ccc(C#N)cc2F)CC1 ZINC000302175980 201383869 /nfs/dbraw/zinc/38/38/69/201383869.db2.gz WGCWXDZEJNWFBP-UHFFFAOYSA-N 0 1 259.328 2.761 20 30 CFEDMN C[C@@H](NCc1cc(C#N)n(C)c1)c1cccc([N+](=O)[O-])c1 ZINC000189588292 189538729 /nfs/dbraw/zinc/53/87/29/189538729.db2.gz RILCXEHMMWUNEZ-LLVKDONJSA-N 0 1 284.319 2.656 20 30 CFEDMN N#Cc1ccc(S(=O)(=O)Nc2ccc3ccoc3c2)cn1 ZINC000442856837 241008698 /nfs/dbraw/zinc/00/86/98/241008698.db2.gz ZMXYZYSMJCHWHX-UHFFFAOYSA-N 0 1 299.311 2.500 20 30 CFEDMN Cc1cc(CNCc2ccccc2OCCO)ccc1C#N ZINC000443977972 241100552 /nfs/dbraw/zinc/10/05/52/241100552.db2.gz GAHXCODTAPNIHV-UHFFFAOYSA-N 0 1 296.370 2.528 20 30 CFEDMN C[C@@H]1C[C@@H]1CN1CCN(c2ccc(C#N)cc2Cl)CC1 ZINC000446915864 241338886 /nfs/dbraw/zinc/33/88/86/241338886.db2.gz HFPGVSRVVMKCND-TZMCWYRMSA-N 0 1 289.810 2.990 20 30 CFEDMN CO[C@@H]1C[C@H](N(C)Cc2ccccc2C#N)C12CCC2 ZINC000449627537 242077085 /nfs/dbraw/zinc/07/70/85/242077085.db2.gz ACKMVNPMVPRRGY-JKSUJKDBSA-N 0 1 270.376 2.948 20 30 CFEDMN N#Cc1ccccc1CN1CCSC[C@H]1C1CC1 ZINC000449529391 242007508 /nfs/dbraw/zinc/00/75/08/242007508.db2.gz WTULLBYTUPWCMM-HNNXBMFYSA-N 0 1 258.390 2.886 20 30 CFEDMN COC[C@H]1CCCN1CC#Cc1ccc(Cl)cc1 ZINC000674466481 541569427 /nfs/dbraw/zinc/56/94/27/541569427.db2.gz LASWEVVQIHPLJY-OAHLLOKOSA-N 0 1 263.768 2.802 20 30 CFEDMN C=C[C@](C)(CC)C(=O)Nc1ncc(C(F)(F)F)[nH]1 ZINC000276050544 193199140 /nfs/dbraw/zinc/19/91/40/193199140.db2.gz XXGFAEPPYMGXFY-SNVBAGLBSA-N 0 1 261.247 2.969 20 30 CFEDMN C=CCCN(C)[C@H](C)C(=O)Nc1cccc([N+](=O)[O-])c1C ZINC000276398987 193314977 /nfs/dbraw/zinc/31/49/77/193314977.db2.gz KELQBWQQCMMJQW-GFCCVEGCSA-N 0 1 291.351 2.738 20 30 CFEDMN C=CCCN(C)[C@H](C)C(=O)Nc1ccc(F)c(F)c1 ZINC000276491173 193353549 /nfs/dbraw/zinc/35/35/49/193353549.db2.gz UWSPMQYAFVGWNJ-SNVBAGLBSA-N 0 1 268.307 2.800 20 30 CFEDMN C[C@@H](NCc1cc(=O)[nH]c(C2CC2)n1)c1ccc(C#N)cc1 ZINC000459394688 245163251 /nfs/dbraw/zinc/16/32/51/245163251.db2.gz OKNQEFYLDPBOCJ-LLVKDONJSA-N 0 1 294.358 2.782 20 30 CFEDMN CO[C@H]1C[C@@H](NCc2cccc(F)c2C#N)C12CCC2 ZINC000459744772 245298219 /nfs/dbraw/zinc/29/82/19/245298219.db2.gz DTEGEUFGBYZFGW-CABCVRRESA-N 0 1 274.339 2.745 20 30 CFEDMN CC[C@@H]1OCC[C@H]1NCc1ccc(Cl)cc1C#N ZINC000459775098 245318705 /nfs/dbraw/zinc/31/87/05/245318705.db2.gz LWGPTWJAYSBBOB-KGLIPLIRSA-N 0 1 264.756 2.869 20 30 CFEDMN C[C@@H](CN(C)Cc1ccc(C#N)o1)C(=O)OC(C)(C)C ZINC000459774982 245318858 /nfs/dbraw/zinc/31/88/58/245318858.db2.gz QCUOIQGZQPTBJD-NSHDSACASA-N 0 1 278.352 2.561 20 30 CFEDMN C=C(C)[C@H](CO)[N@H+]1CCC[C@@H](c2nc3ccccc3o2)C1 ZINC000677480204 541865516 /nfs/dbraw/zinc/86/55/16/541865516.db2.gz VEKRTFUMJXODOJ-HIFRSBDPSA-N 0 1 286.375 2.944 20 30 CFEDMN C=CCN(Cc1ccccc1)C(=O)c1cc(CC)[nH]n1 ZINC000024500874 372276370 /nfs/dbraw/zinc/27/63/70/372276370.db2.gz YNIIKJCIOKOTFJ-UHFFFAOYSA-N 0 1 269.348 2.801 20 30 CFEDMN CCC[C@@H](C)N(C)CC(=O)Nc1cccc(C#N)c1 ZINC000030269332 372391019 /nfs/dbraw/zinc/39/10/19/372391019.db2.gz JVDCNIDGDZAXBN-GFCCVEGCSA-N 0 1 259.353 2.617 20 30 CFEDMN CCC[C@H](C)N(C)CC(=O)Nc1cccc(C#N)c1 ZINC000030269334 372391230 /nfs/dbraw/zinc/39/12/30/372391230.db2.gz JVDCNIDGDZAXBN-LBPRGKRZSA-N 0 1 259.353 2.617 20 30 CFEDMN N#CCc1ccc(NC(=O)c2cc(-c3ccco3)n[nH]2)cc1 ZINC000030606246 372395693 /nfs/dbraw/zinc/39/56/93/372395693.db2.gz BRFABZAOTHGHQG-UHFFFAOYSA-N 0 1 292.298 2.988 20 30 CFEDMN Cc1ccc(C)c(OCCN2CCC(C#N)CC2)c1 ZINC000032110727 372428630 /nfs/dbraw/zinc/42/86/30/372428630.db2.gz WYLMHJRHDSMQHW-UHFFFAOYSA-N 0 1 258.365 2.918 20 30 CFEDMN Cc1ccc(N(CCC#N)C(=O)CN2CC[C@H](C)C2)cc1C ZINC000263705714 383685905 /nfs/dbraw/zinc/68/59/05/383685905.db2.gz MGIJHKCYHPTDLS-AWEZNQCLSA-N 0 1 299.418 2.892 20 30 CFEDMN Cc1csc(C(C#N)C(=O)c2ccc(C#N)cc2)n1 ZINC000041520116 372846179 /nfs/dbraw/zinc/84/61/79/372846179.db2.gz XIGXAUSQDBMGEF-LBPRGKRZSA-N 0 1 267.313 2.813 20 30 CFEDMN C=CCN(CC=C)C(=O)[C@@H](C)N1CCc2ccccc2C1 ZINC000042242159 372893389 /nfs/dbraw/zinc/89/33/89/372893389.db2.gz FDFRWAVADUMVBM-OAHLLOKOSA-N 0 1 284.403 2.634 20 30 CFEDMN C=C(C)CN1CCC[C@H]1C(=O)Nc1ccc(OC)cc1 ZINC000049332791 373288231 /nfs/dbraw/zinc/28/82/31/373288231.db2.gz INOHIWKCVIHIHE-HNNXBMFYSA-N 0 1 274.364 2.674 20 30 CFEDMN C[C@H]1CCCN(CC(=O)N(CCC#N)c2ccccc2)C1 ZINC000058874425 373671463 /nfs/dbraw/zinc/67/14/63/373671463.db2.gz DUXWIUHDMABEII-HNNXBMFYSA-N 0 1 285.391 2.665 20 30 CFEDMN Cc1[nH]ncc1C(=O)Nc1cccc(OCCCC#N)c1 ZINC000064298900 373820516 /nfs/dbraw/zinc/82/05/16/373820516.db2.gz JTBCFQMIQLPHRR-UHFFFAOYSA-N 0 1 284.319 2.653 20 30 CFEDMN COCC1(N(C)CC#Cc2ccccc2Cl)CC1 ZINC000677728316 541894936 /nfs/dbraw/zinc/89/49/36/541894936.db2.gz UBTAQUPZEAIWMU-UHFFFAOYSA-N 0 1 263.768 2.802 20 30 CFEDMN CC#CC[C@H](CO)Nc1ccnc2cc(F)c(OC)cc21 ZINC000645407432 383695238 /nfs/dbraw/zinc/69/52/38/383695238.db2.gz WMQZAKPRTPYILQ-LLVKDONJSA-N 0 1 288.322 2.569 20 30 CFEDMN C#CCN1CCC(C(=O)N(CC)[C@@H]2CCCC[C@@H]2C)CC1 ZINC000066414408 373930186 /nfs/dbraw/zinc/93/01/86/373930186.db2.gz ITMPUXFJUZMUGN-DOTOQJQBSA-N 0 1 290.451 2.759 20 30 CFEDMN CC[N@@H+](CC(=O)N(C)C1CC1)[C@@H](C)c1ccc(C#N)cc1 ZINC000067457924 373978212 /nfs/dbraw/zinc/97/82/12/373978212.db2.gz MPARZSPYZDQYGV-ZDUSSCGKSA-N 0 1 285.391 2.562 20 30 CFEDMN CCN(CC(=O)N(C)C1CC1)[C@@H](C)c1ccc(C#N)cc1 ZINC000067457924 373978222 /nfs/dbraw/zinc/97/82/22/373978222.db2.gz MPARZSPYZDQYGV-ZDUSSCGKSA-N 0 1 285.391 2.562 20 30 CFEDMN Cc1[nH]ncc1C(=O)Nc1ccc(C(C)(C)C#N)cc1 ZINC000070214924 374148709 /nfs/dbraw/zinc/14/87/09/374148709.db2.gz NKCILGHUMMSHKX-UHFFFAOYSA-N 0 1 268.320 2.772 20 30 CFEDMN COCC#CCSc1nc(C=Cc2ccccc2)n[nH]1 ZINC000677806627 541907933 /nfs/dbraw/zinc/90/79/33/541907933.db2.gz HMZVBUCIABSDLC-MDZDMXLPSA-N 0 1 285.372 2.717 20 30 CFEDMN COCC#CCSc1nc(C=Cc2ccccc2)n[nH]1 ZINC000677806626 541908006 /nfs/dbraw/zinc/90/80/06/541908006.db2.gz HMZVBUCIABSDLC-KTKRTIGZSA-N 0 1 285.372 2.717 20 30 CFEDMN CCN(CCC(=O)Nc1cccc(OC)c1)C[C@H](C)C#N ZINC000072580326 374266459 /nfs/dbraw/zinc/26/64/59/374266459.db2.gz NFPUZJDSFKPWJL-CYBMUJFWSA-N 0 1 289.379 2.505 20 30 CFEDMN Cn1cccc1C(=O)C(C#N)c1nc2ccccc2o1 ZINC000073977436 374399470 /nfs/dbraw/zinc/39/94/70/374399470.db2.gz BFGDODWUPQHBMF-SNVBAGLBSA-N 0 1 265.272 2.656 20 30 CFEDMN C=CCOc1ccc(CN(C)Cc2cn[nH]c2)cc1 ZINC000678122969 541957181 /nfs/dbraw/zinc/95/71/81/541957181.db2.gz IXXHAQLSTHVNSH-UHFFFAOYSA-N 0 1 257.337 2.607 20 30 CFEDMN CCN1C[C@H](C)N(C(=O)/C=C/c2cccc(C#N)c2)C[C@@H]1C ZINC000492293583 246248843 /nfs/dbraw/zinc/24/88/43/246248843.db2.gz FYLCRZKEFOCTOX-JJGIJDNGSA-N 0 1 297.402 2.513 20 30 CFEDMN C=CCN(Cc1cccs1)C(=O)[C@@H](C)N1CCCC1 ZINC000078605692 374568982 /nfs/dbraw/zinc/56/89/82/374568982.db2.gz TWPVCVIYNMIZQC-CYBMUJFWSA-N 0 1 278.421 2.747 20 30 CFEDMN COc1ccc(CN[C@H](C)c2cccnc2)cc1C#N ZINC000087822539 374831043 /nfs/dbraw/zinc/83/10/43/374831043.db2.gz LVUZIEVQOYCQTM-GFCCVEGCSA-N 0 1 267.332 2.813 20 30 CFEDMN C=CCCO[C@H](C)C(=O)Nc1ccc2c(C)[nH]nc2c1 ZINC000091835896 375064849 /nfs/dbraw/zinc/06/48/49/375064849.db2.gz PJXVSBUVMSILRH-LLVKDONJSA-N 0 1 273.336 2.791 20 30 CFEDMN Cc1c(C(=O)[C@@H](C#N)c2ccccn2)cnn1C(C)C ZINC000092694772 375138996 /nfs/dbraw/zinc/13/89/96/375138996.db2.gz DSRUFQXPXSSWQH-LBPRGKRZSA-N 0 1 268.320 2.658 20 30 CFEDMN C=CCN(Cc1cccs1)C[C@@H](O)COC(C)C ZINC000096990488 375496835 /nfs/dbraw/zinc/49/68/35/375496835.db2.gz WTZMEHPBGHHGAU-CYBMUJFWSA-N 0 1 269.410 2.522 20 30 CFEDMN C=CCCC[C@@H](C)N1CCN(C(=O)c2cccn2C)CC1 ZINC000678714777 542060365 /nfs/dbraw/zinc/06/03/65/542060365.db2.gz OYJQKVWIBQSPBW-OAHLLOKOSA-N 0 1 289.423 2.528 20 30 CFEDMN CCC#C[C@H](C)N1CCC[C@H](c2nncn2C2CC2)C1 ZINC000678717898 542061343 /nfs/dbraw/zinc/06/13/43/542061343.db2.gz ASVYBGJUAGKGBO-KBPBESRZSA-N 0 1 272.396 2.594 20 30 CFEDMN C=C(C)CN(CC)[C@H]1CCN(c2ccccc2)C1=O ZINC000109818370 375823190 /nfs/dbraw/zinc/82/31/90/375823190.db2.gz ZDNAUIRSWVNKNK-HNNXBMFYSA-N 0 1 258.365 2.690 20 30 CFEDMN CC[C@H](NCC#CCOC)c1ccccc1OC(F)F ZINC000678743344 542063801 /nfs/dbraw/zinc/06/38/01/542063801.db2.gz FIZZBSCZHJPIKL-ZDUSSCGKSA-N 0 1 283.318 2.979 20 30 CFEDMN CC[C@@H](NCC#CCOC)c1ccccc1OC(F)F ZINC000678743342 542063826 /nfs/dbraw/zinc/06/38/26/542063826.db2.gz FIZZBSCZHJPIKL-CYBMUJFWSA-N 0 1 283.318 2.979 20 30 CFEDMN N#Cc1ccc(CNCCOC2CCCC2)c(F)c1 ZINC000111637757 375860010 /nfs/dbraw/zinc/86/00/10/375860010.db2.gz JNYGSAPGHSRUEE-UHFFFAOYSA-N 0 1 262.328 2.746 20 30 CFEDMN CCCCCN(CCO)Cc1cc(C#N)ccc1F ZINC000112411639 375918080 /nfs/dbraw/zinc/91/80/80/375918080.db2.gz DGZXFPBGQOHKFR-UHFFFAOYSA-N 0 1 264.344 2.682 20 30 CFEDMN C[C@H]1CN(CCOc2ccc(C#N)cc2)CC2(CCC2)O1 ZINC000571638295 383711831 /nfs/dbraw/zinc/71/18/31/383711831.db2.gz BOAMZAXVERGAOO-AWEZNQCLSA-N 0 1 286.375 2.580 20 30 CFEDMN C=C(C)CN(CC)CC(=O)NCc1cccc(OCC)c1 ZINC000114712648 376082610 /nfs/dbraw/zinc/08/26/10/376082610.db2.gz JOOYXFORFPROEG-UHFFFAOYSA-N 0 1 290.407 2.600 20 30 CFEDMN CC(C)C(=O)N[C@H]1CCCN([C@@H](C)c2ccc(C#N)cc2)C1 ZINC000118396197 376290615 /nfs/dbraw/zinc/29/06/15/376290615.db2.gz OAFQGOFCIKSNGI-YOEHRIQHSA-N 0 1 299.418 2.856 20 30 CFEDMN C=C(C)CN(CC)C(=O)[C@H](C)N1CC[C@H](OCC(C)C)C1 ZINC000119858122 376491147 /nfs/dbraw/zinc/49/11/47/376491147.db2.gz UNJBJKLQNAXIGF-HOTGVXAUSA-N 0 1 296.455 2.546 20 30 CFEDMN C=CCN(C)[C@@H](C)C(=O)N[C@@H](C)c1ccccc1C ZINC000121320564 376806767 /nfs/dbraw/zinc/80/67/67/376806767.db2.gz LMCUMJWILSMIIC-KBPBESRZSA-N 0 1 260.381 2.679 20 30 CFEDMN C=C(C)CN(C)c1cc(N(C)CC(=C)C)nc(C)n1 ZINC000679189248 542131890 /nfs/dbraw/zinc/13/18/90/542131890.db2.gz AKIVWFKHJPFMQH-UHFFFAOYSA-N 0 1 260.385 2.810 20 30 CFEDMN C[S@](=O)C[C@H](NCc1ccc(C#N)cc1)c1ccccc1 ZINC000121822927 376913287 /nfs/dbraw/zinc/91/32/87/376913287.db2.gz YNJCDFCTQBEKPD-LAUBAEHRSA-N 0 1 298.411 2.768 20 30 CFEDMN C[C@@H]1CCC[C@H](C)[N@@H+](CC(=O)NC2(C#N)CCCCC2)C1 ZINC000125260815 377132795 /nfs/dbraw/zinc/13/27/95/377132795.db2.gz QUDQFHMGDCITSC-CABCVRRESA-N 0 1 291.439 2.840 20 30 CFEDMN CC[C@H](C)NC(=O)[C@H](C)NC1CC(C#N)(c2ccccc2)C1 ZINC000126405271 377226447 /nfs/dbraw/zinc/22/64/47/377226447.db2.gz ITHQFXKJGIEDHK-GPIMWBBRSA-N 0 1 299.418 2.503 20 30 CFEDMN N#Cc1cccnc1N1CCCN(Cc2ccsc2)CC1 ZINC000129700046 377463585 /nfs/dbraw/zinc/46/35/85/377463585.db2.gz FTAIYPWEPYHOHV-UHFFFAOYSA-N 0 1 298.415 2.727 20 30 CFEDMN CC(C)[C@@](C)(C#N)NC(=O)CN1CCC2(C1)CCCCC2 ZINC000129956501 377493983 /nfs/dbraw/zinc/49/39/83/377493983.db2.gz OHJDFBDDWCPVDN-MRXNPFEDSA-N 0 1 291.439 2.697 20 30 CFEDMN CCN1CCCC[C@@H]1C(=O)N[C@@H](C)c1ccc(C#N)cc1 ZINC000264294301 383721150 /nfs/dbraw/zinc/72/11/50/383721150.db2.gz QIEDFXFUVRMZAP-XJKSGUPXSA-N 0 1 285.391 2.610 20 30 CFEDMN N#Cc1cccc(OC2CCN(Cc3ccncc3)CC2)c1 ZINC000130376258 377546694 /nfs/dbraw/zinc/54/66/94/377546694.db2.gz WJKQFACORDEDNJ-UHFFFAOYSA-N 0 1 293.370 2.997 20 30 CFEDMN C=CCCN1CCN(Cc2nc3ccccc3s2)CC1 ZINC000132357483 377832501 /nfs/dbraw/zinc/83/25/01/377832501.db2.gz WXPKUEGBLPEQPA-UHFFFAOYSA-N 0 1 287.432 2.990 20 30 CFEDMN C=CCNC(=O)CN(Cc1ccc(F)cc1)C(C)(C)C ZINC000132823615 377878748 /nfs/dbraw/zinc/87/87/48/377878748.db2.gz JHGPAMBFEGHALB-UHFFFAOYSA-N 0 1 278.371 2.728 20 30 CFEDMN C=CCCN(C)[C@@H]1CCN(c2ccccc2Cl)C1=O ZINC000133050735 377898594 /nfs/dbraw/zinc/89/85/94/377898594.db2.gz DTIJXKNEOUSSJT-CQSZACIVSA-N 0 1 278.783 2.953 20 30 CFEDMN C=CCN(CC=C)C(=O)c1cc(-c2ccc(OC)cc2)[nH]n1 ZINC000132871480 377883764 /nfs/dbraw/zinc/88/37/64/377883764.db2.gz ACZJPSJZRTZYPN-UHFFFAOYSA-N 0 1 297.358 2.900 20 30 CFEDMN C=CCNc1ccccc1CN1C[C@@H](C)O[C@@H](C)C1 ZINC000133079066 377900137 /nfs/dbraw/zinc/90/01/37/377900137.db2.gz XEEIPICBKIULCY-OKILXGFUSA-N 0 1 260.381 2.894 20 30 CFEDMN CN(Cc1cc(F)ccc1C#N)[C@@H](CO)C(C)(C)C ZINC000134375694 378006365 /nfs/dbraw/zinc/00/63/65/378006365.db2.gz BZWDDQXNDNDRJG-AWEZNQCLSA-N 0 1 264.344 2.536 20 30 CFEDMN COc1ccc(CN2CCS[C@@H](C)[C@@H]2C)cc1C#N ZINC000135087725 378081778 /nfs/dbraw/zinc/08/17/78/378081778.db2.gz ZIAQWGFZZLMUEE-RYUDHWBXSA-N 0 1 276.405 2.893 20 30 CFEDMN C[C@@H](C(=O)Nc1ccccc1C#N)N1C[C@H]2CCC[C@@H]2C1 ZINC000148076067 378254515 /nfs/dbraw/zinc/25/45/15/378254515.db2.gz ACBHNRMRRNBISI-NWANDNLSSA-N 0 1 283.375 2.617 20 30 CFEDMN C=CCC(CC=C)C(=O)Nc1cc(CN(C)C)ccn1 ZINC000151263069 378311925 /nfs/dbraw/zinc/31/19/25/378311925.db2.gz PCTYMOKQPMDOCC-UHFFFAOYSA-N 0 1 273.380 2.850 20 30 CFEDMN CC[C@H](NCc1cccc(C#N)c1)c1cnn(C)c1 ZINC000151369293 378320001 /nfs/dbraw/zinc/32/00/01/378320001.db2.gz YWMCKDWWXOEGBE-HNNXBMFYSA-N 0 1 254.337 2.533 20 30 CFEDMN Cc1nc(C(=O)NC[C@H]2CCCCN2C2CC2)c(C)o1 ZINC000328998408 378447334 /nfs/dbraw/zinc/44/73/34/378447334.db2.gz KLLNLFWQGGWBGV-CYBMUJFWSA-N 0 1 277.368 2.613 20 30 CFEDMN CO[C@@H]1CCC[C@@H]1CNC(=O)[C@H]1CCCc2[nH]ncc21 ZINC000329316271 378453090 /nfs/dbraw/zinc/45/30/90/378453090.db2.gz QOEVJZJFZSVJET-UHIISALHSA-N 0 1 277.368 2.601 20 30 CFEDMN O=C(NCC1CCCC1)c1csc(=NC2CC2)[nH]1 ZINC000329348515 378455886 /nfs/dbraw/zinc/45/58/86/378455886.db2.gz DOURTVYRYXCDAU-UHFFFAOYSA-N 0 1 265.382 2.634 20 30 CFEDMN CCc1nc([C@H](C)NC(=O)C2(C3CC3)CCOCC2)n[nH]1 ZINC000329596393 378466648 /nfs/dbraw/zinc/46/66/48/378466648.db2.gz CBNBQPYYIXOQMB-JTQLQIEISA-N 0 1 292.383 2.591 20 30 CFEDMN C[C@@H]1CCCC[C@@H]1OCC(=O)N[C@@H]1CCc2nc[nH]c2C1 ZINC000329606961 378469886 /nfs/dbraw/zinc/46/98/86/378469886.db2.gz CFXRWFVYZMNSFX-JMSVASOKSA-N 0 1 291.395 2.819 20 30 CFEDMN CC1(C)[C@H](NC(=O)c2ccc3cncn3c2)[C@@H]2CCCO[C@H]21 ZINC000328800493 378426893 /nfs/dbraw/zinc/42/68/93/378426893.db2.gz IIMYTFNWQZZYHK-RRFJBIMHSA-N 0 1 299.374 2.843 20 30 CFEDMN C[C@@H](Cn1ccnc1)[NH+]=C([O-])N1CCCC12CCCCC2 ZINC000328803498 378427113 /nfs/dbraw/zinc/42/71/13/378427113.db2.gz BHJPDUKDJXHRHH-AWEZNQCLSA-N 0 1 290.411 2.984 20 30 CFEDMN Cc1n[nH]c(C(F)F)c1NC(=O)[C@@H]1C[C@@]12CCOC2 ZINC000329662016 378476083 /nfs/dbraw/zinc/47/60/83/378476083.db2.gz OQYAFGUVDYUSMM-JVXZTZIISA-N 0 1 271.267 2.670 20 30 CFEDMN CC[C@@H]1C[C@H](C(=O)N[C@H]2CCCc3cn[nH]c32)CC(=O)N1 ZINC000329691191 378483023 /nfs/dbraw/zinc/48/30/23/378483023.db2.gz WFTPAVGDEVIABZ-TUAOUCFPSA-N 0 1 290.367 2.889 20 30 CFEDMN C[C@@H]1CCN(C(=O)N[C@H]2CCc3nc[nH]c3C2)CC1(C)C ZINC000329754511 378492342 /nfs/dbraw/zinc/49/23/42/378492342.db2.gz XJBNYACXSZTDKQ-NEPJUHHUSA-N 0 1 290.411 2.549 20 30 CFEDMN C[C@@H]1C[C@H](C(=O)NC[C@@H]2[N@@H+](C)CCCC2(C)C)CC(=O)N1 ZINC000329824277 378501176 /nfs/dbraw/zinc/50/11/76/378501176.db2.gz BKDPZJYTKGHHII-AGIUHOORSA-N 0 1 295.427 2.818 20 30 CFEDMN C[C@H]([NH+]=C([O-])N[C@H]1CCc2c[nH]nc2C1)C1CCCCC1 ZINC000329833409 378503497 /nfs/dbraw/zinc/50/34/97/378503497.db2.gz LICFKQIQVMHVLQ-FZMZJTMJSA-N 0 1 290.411 2.739 20 30 CFEDMN C[C@H](NC([O-])=[NH+][C@H]1CCc2c[nH]nc2C1)C1CCCCC1 ZINC000329833409 378503502 /nfs/dbraw/zinc/50/35/02/378503502.db2.gz LICFKQIQVMHVLQ-FZMZJTMJSA-N 0 1 290.411 2.739 20 30 CFEDMN C[C@@H]1CCC[C@H](NC([O-])=[NH+][C@@H]2CCc3c[nH]nc3C2)[C@@H]1C ZINC000329860717 378506370 /nfs/dbraw/zinc/50/63/70/378506370.db2.gz PSXDFEREZFCFEK-OXHZDVMGSA-N 0 1 290.411 2.595 20 30 CFEDMN C[C@@H]1CCC[C@H]([NH+]=C([O-])N[C@@H]2CCc3c[nH]nc3C2)[C@@H]1C ZINC000329860717 378506376 /nfs/dbraw/zinc/50/63/76/378506376.db2.gz PSXDFEREZFCFEK-OXHZDVMGSA-N 0 1 290.411 2.595 20 30 CFEDMN Cc1c(C(=O)[C@@H](C#N)c2ccccn2)cnn1CC(C)C ZINC000155554696 378629402 /nfs/dbraw/zinc/62/94/02/378629402.db2.gz HSPUJQCPOGRDIK-ZDUSSCGKSA-N 0 1 282.347 2.733 20 30 CFEDMN CC(C)(C)CC[NH+]=C([O-])NCCc1cscn1 ZINC000331141063 378639335 /nfs/dbraw/zinc/63/93/35/378639335.db2.gz XEHQWMYHCXVFBI-UHFFFAOYSA-N 0 1 255.387 2.625 20 30 CFEDMN CO[C@@H]1CC[C@H]([NH+]=C([O-])Nc2ccc(N(C)C)cc2C)C1 ZINC000331014116 378614488 /nfs/dbraw/zinc/61/44/88/378614488.db2.gz TZNWCKUTANHZCO-GXTWGEPZSA-N 0 1 291.395 2.954 20 30 CFEDMN CC#CCN1CCC[C@@H]1c1ccc2c(c1)OCCO2 ZINC000157401289 378653874 /nfs/dbraw/zinc/65/38/74/378653874.db2.gz XGQCEMWNPWDEBK-CQSZACIVSA-N 0 1 257.333 2.618 20 30 CFEDMN N#CCc1ccc(NC(=O)c2cccc3nc[nH]c32)cc1 ZINC000157856690 378659217 /nfs/dbraw/zinc/65/92/17/378659217.db2.gz COABBXUIOMPQOK-UHFFFAOYSA-N 0 1 276.299 2.881 20 30 CFEDMN CCC(=O)N[C@H]1CCCN([C@@H](C)c2cccc(C#N)c2)C1 ZINC000331272796 378661937 /nfs/dbraw/zinc/66/19/37/378661937.db2.gz OFYADYBSGIZIKG-BBRMVZONSA-N 0 1 285.391 2.610 20 30 CFEDMN CN(Cc1nnc(-c2cccc(C#N)c2)o1)C1CCCC1 ZINC000332217560 378737293 /nfs/dbraw/zinc/73/72/93/378737293.db2.gz WWGSJACIBGLPGV-UHFFFAOYSA-N 0 1 282.347 2.983 20 30 CFEDMN C[C@H](c1cccc(C#N)c1)N1CC[C@@H]([C@@H](O)C(F)(F)F)C1 ZINC000451884347 383732398 /nfs/dbraw/zinc/73/23/98/383732398.db2.gz GKAWGFQGAQDVQY-LERXQTSPSA-N 0 1 298.308 2.864 20 30 CFEDMN N#Cc1cccc(NC(=O)c2c(O)cccc2F)c1 ZINC000163835532 378993074 /nfs/dbraw/zinc/99/30/74/378993074.db2.gz VNECXUNPYWWAHQ-UHFFFAOYSA-N 0 1 256.236 2.655 20 30 CFEDMN CC(C)(C)[C@H]1CCN(Cc2cc(C#N)cs2)C[C@H]1O ZINC000334315477 379080176 /nfs/dbraw/zinc/08/01/76/379080176.db2.gz QWEWEZSLCBRVLM-UONOGXRCSA-N 0 1 278.421 2.849 20 30 CFEDMN CCc1nn(C)c(CC)c1CNCc1ccc(C#N)s1 ZINC000169280489 379105746 /nfs/dbraw/zinc/10/57/46/379105746.db2.gz AGGMPCITDPAVBU-UHFFFAOYSA-N 0 1 288.420 2.768 20 30 CFEDMN CN(Cc1ccccc1)Cc1cccc(C(=O)NCC#N)c1 ZINC000170627608 379130748 /nfs/dbraw/zinc/13/07/48/379130748.db2.gz NLJVUGJZGLSQIR-UHFFFAOYSA-N 0 1 293.370 2.572 20 30 CFEDMN CC1=C(C)C[C@H](C(=O)N=c2[nH]n(C(C)C)cc2C#N)CC1 ZINC000335393648 379211893 /nfs/dbraw/zinc/21/18/93/379211893.db2.gz SBHLTWIXFCHVOB-CYBMUJFWSA-N 0 1 286.379 2.833 20 30 CFEDMN N#Cc1cc(F)ccc1CN1CC[C@H](C2CCOCC2)C1 ZINC000334392246 379215677 /nfs/dbraw/zinc/21/56/77/379215677.db2.gz XFTYKRDBMYHRNL-HNNXBMFYSA-N 0 1 288.366 2.946 20 30 CFEDMN CCN(CC)[C@H](C(=O)NCCCCC#N)c1ccccc1 ZINC000171483954 379320081 /nfs/dbraw/zinc/32/00/81/379320081.db2.gz ICNOXPCJALUYDR-INIZCTEOSA-N 0 1 287.407 2.880 20 30 CFEDMN C=C1CCN(C(=O)c2n[nH]c(CC)c2Br)CC1 ZINC000278937714 194221102 /nfs/dbraw/zinc/22/11/02/194221102.db2.gz BTOACYFHFXVUNK-UHFFFAOYSA-N 0 1 298.184 2.527 20 30 CFEDMN N#Cc1ccc2ncc(CN[C@@H]3CCCC[C@H]3F)n2c1 ZINC000335630436 379626072 /nfs/dbraw/zinc/62/60/72/379626072.db2.gz CKOQHSKPEXZBPR-ZIAGYGMSSA-N 0 1 272.327 2.576 20 30 CFEDMN CC#CCCN1CC[C@@]2(C1)CC(=O)c1ccccc1O2 ZINC000334637604 379679300 /nfs/dbraw/zinc/67/93/00/379679300.db2.gz IUWSIFUQDWLTDK-KRWDZBQOSA-N 0 1 269.344 2.510 20 30 CFEDMN N#Cc1ccc(S(=O)(=O)Nc2ccsc2)cc1F ZINC000335696573 379738614 /nfs/dbraw/zinc/73/86/14/379738614.db2.gz OCLIWZCSNCENIF-UHFFFAOYSA-N 0 1 282.321 2.560 20 30 CFEDMN N#Cc1cccc(CN2CCC(c3ncc[nH]3)CC2)c1F ZINC000334710338 379806390 /nfs/dbraw/zinc/80/63/90/379806390.db2.gz BIVJKOSQOAOBBB-UHFFFAOYSA-N 0 1 284.338 2.800 20 30 CFEDMN Cc1ccccc1OCCNCc1ccc(C#N)o1 ZINC000174295172 379858961 /nfs/dbraw/zinc/85/89/61/379858961.db2.gz RIOONYNCXAZYFZ-UHFFFAOYSA-N 0 1 256.305 2.628 20 30 CFEDMN C[C@H]1CN(C(=O)c2ccc(C(C)(C)C#N)cc2)[C@@H](C)CN1C ZINC000335782151 379878220 /nfs/dbraw/zinc/87/82/20/379878220.db2.gz YKBDVFWQVYHGDN-KBPBESRZSA-N 0 1 299.418 2.652 20 30 CFEDMN C=C1CCN(C(=O)c2cc(C)cc3c[nH]nc32)CC1 ZINC000264455595 383741460 /nfs/dbraw/zinc/74/14/60/383741460.db2.gz FNWKHEAQZSOOIU-UHFFFAOYSA-N 0 1 255.321 2.664 20 30 CFEDMN C[C@@H]1CN2CCCC[C@@H]2CN1C(=O)Nc1cccc(C#N)c1 ZINC000335847010 379985906 /nfs/dbraw/zinc/98/59/06/379985906.db2.gz CRFKWPYZWBURLY-CZUORRHYSA-N 0 1 298.390 2.649 20 30 CFEDMN N#CC1(CN2CCSC[C@@H]2C2CCC2)CCC1 ZINC000335192961 379994734 /nfs/dbraw/zinc/99/47/34/379994734.db2.gz GUEXPLIRZJCPGF-CYBMUJFWSA-N 0 1 250.411 2.898 20 30 CFEDMN C=CCCCC(=O)NC[C@H](c1cccs1)N(C)C ZINC000175101771 379996221 /nfs/dbraw/zinc/99/62/21/379996221.db2.gz OQCOHYRDHCEVFQ-GFCCVEGCSA-N 0 1 266.410 2.823 20 30 CFEDMN N#Cc1csc(CN2C[C@@H](O)C[C@@H]2c2ccccc2)c1 ZINC000335247001 380076519 /nfs/dbraw/zinc/07/65/19/380076519.db2.gz UEMOOQUXYCVLMT-GOEBONIOSA-N 0 1 284.384 2.928 20 30 CFEDMN Cc1cccc(NS(=O)(=O)c2ccc(C#N)o2)c1Cl ZINC000335989184 380202229 /nfs/dbraw/zinc/20/22/29/380202229.db2.gz SBLQGDMKTMILNN-UHFFFAOYSA-N 0 1 296.735 2.914 20 30 CFEDMN N#CC1CCN(Cc2cnc(-c3ccccc3)[nH]2)CC1 ZINC000179734488 380575803 /nfs/dbraw/zinc/57/58/03/380575803.db2.gz OBEVHAKIYCYYDO-UHFFFAOYSA-N 0 1 266.348 2.812 20 30 CFEDMN C=CCCC[C@@H](C)NC(=O)CN1CCC(C)CC1 ZINC000179778863 380580278 /nfs/dbraw/zinc/58/02/78/380580278.db2.gz CDUFTDGWIHHPKZ-CQSZACIVSA-N 0 1 252.402 2.579 20 30 CFEDMN CN(Cc1cc(F)ccc1C#N)C[C@H]1CCCC[C@@H]1O ZINC000181468377 380799675 /nfs/dbraw/zinc/79/96/75/380799675.db2.gz ARVDFZGJXDLXJX-CJNGLKHVSA-N 0 1 276.355 2.680 20 30 CFEDMN Cc1[nH]ncc1CNc1ccc(OC(C)C)c(C#N)c1 ZINC000181528044 380816690 /nfs/dbraw/zinc/81/66/90/380816690.db2.gz GVTYEKJYSKHPFQ-UHFFFAOYSA-N 0 1 270.336 2.989 20 30 CFEDMN CN1Cc2ccccc2[C@H](Nc2cc(C#N)ccn2)C1 ZINC000367827431 380841425 /nfs/dbraw/zinc/84/14/25/380841425.db2.gz VVYZQXIVTHQHBG-OAHLLOKOSA-N 0 1 264.332 2.552 20 30 CFEDMN C=CCOc1ccc(CN2C[C@H]3[C@H](CO)[C@H]3C2)cc1Cl ZINC000367840646 380843070 /nfs/dbraw/zinc/84/30/70/380843070.db2.gz RASHJHFGWAPXDH-WDNDVIMCSA-N 0 1 293.794 2.575 20 30 CFEDMN CC(C)CN(Cc1ccc(C#N)cc1)C(=O)c1cnc[nH]1 ZINC000346992856 380856398 /nfs/dbraw/zinc/85/63/98/380856398.db2.gz SCFGUXJWIGHSHS-UHFFFAOYSA-N 0 1 282.347 2.580 20 30 CFEDMN COc1ccc(C[N@H+]2C[C@H]3CCCC[C@H]32)cc1C#N ZINC000368075749 380913816 /nfs/dbraw/zinc/91/38/16/380913816.db2.gz ZVCFTCGHWSIZTN-UKRRQHHQSA-N 0 1 256.349 2.941 20 30 CFEDMN CNC(=O)c1cccc(CN[C@H](C)c2cccc(C#N)c2)c1 ZINC000181992187 380960206 /nfs/dbraw/zinc/96/02/06/380960206.db2.gz WIYZPWOLUWZIKQ-CYBMUJFWSA-N 0 1 293.370 2.769 20 30 CFEDMN N#Cc1ccc(F)c(CN2CCC([C@H]3CCOC3)CC2)c1 ZINC000368266852 380975711 /nfs/dbraw/zinc/97/57/11/380975711.db2.gz YOFUIAMZNLYEJT-HNNXBMFYSA-N 0 1 288.366 2.946 20 30 CFEDMN C=CCCCNC(=O)N[C@H](C)c1n[nH]c([C@H](C)CC)n1 ZINC000279280248 194366314 /nfs/dbraw/zinc/36/63/14/194366314.db2.gz LJWBBBSUFVVGJK-GHMZBOCLSA-N 0 1 279.388 2.645 20 30 CFEDMN CC[C@H](CC(C)C)C(=O)N=c1[nH]n(C(C)C)cc1C#N ZINC000410539273 380982562 /nfs/dbraw/zinc/98/25/62/380982562.db2.gz JFWSIQHBKCQGNS-GFCCVEGCSA-N 0 1 276.384 2.768 20 30 CFEDMN CCCN(C[C@@H](C#N)CCC#N)C[C@@H]1CCCCO1 ZINC000411370954 381023403 /nfs/dbraw/zinc/02/34/03/381023403.db2.gz WDJWAYNVYDSMTK-CABCVRRESA-N 0 1 263.385 2.711 20 30 CFEDMN C=C[C@H](CO)N[C@H](C)c1cc2cccc(OC)c2o1 ZINC000289568175 381048759 /nfs/dbraw/zinc/04/87/59/381048759.db2.gz ATMYGJKHOPXDEN-ZYHUDNBSSA-N 0 1 261.321 2.639 20 30 CFEDMN C=C[C@H](CO)N[C@H](C)c1cc(C)ccc1OC(F)F ZINC000289574283 381051309 /nfs/dbraw/zinc/05/13/09/381051309.db2.gz BCPPQSDFJNKKNJ-GHMZBOCLSA-N 0 1 271.307 2.794 20 30 CFEDMN C[C@H](CCC#N)N1CCO[C@H](C2CCCCC2)C1 ZINC000411532461 381032504 /nfs/dbraw/zinc/03/25/04/381032504.db2.gz ZFEUCZCEINDNHO-HIFRSBDPSA-N 0 1 250.386 2.960 20 30 CFEDMN N#Cc1ccc(OCCCN2CCc3ncccc3C2)cc1 ZINC000368637133 381092464 /nfs/dbraw/zinc/09/24/64/381092464.db2.gz XFRYOMDMQSIIJX-UHFFFAOYSA-N 0 1 293.370 2.780 20 30 CFEDMN N#CCCN(CCCO[C@H]1CCCCO1)CC1CC1 ZINC000358838116 381115191 /nfs/dbraw/zinc/11/51/91/381115191.db2.gz XODLICUTIBQKOL-HNNXBMFYSA-N 0 1 266.385 2.545 20 30 CFEDMN C[C@@H]1CC(C)(C)CN1CC(=O)Nc1cccc(C#N)c1 ZINC000412040783 381118005 /nfs/dbraw/zinc/11/80/05/381118005.db2.gz KOZLHQLZVOURHN-GFCCVEGCSA-N 0 1 271.364 2.617 20 30 CFEDMN CO[C@@](C)([C@@H](C)NCc1cccc(F)c1C#N)C1CC1 ZINC000411968285 381075454 /nfs/dbraw/zinc/07/54/54/381075454.db2.gz JJXMKJDTKNOIDV-BZNIZROVSA-N 0 1 276.355 2.991 20 30 CFEDMN COc1cncc(CN[C@H](C)c2ccc(C#N)cc2)c1 ZINC000289778747 381152795 /nfs/dbraw/zinc/15/27/95/381152795.db2.gz IXFJSHDSGHTLET-GFCCVEGCSA-N 0 1 267.332 2.813 20 30 CFEDMN COc1cncc(CN[C@@H](C)c2ccc(C#N)cc2)c1 ZINC000289778752 381153260 /nfs/dbraw/zinc/15/32/60/381153260.db2.gz IXFJSHDSGHTLET-LBPRGKRZSA-N 0 1 267.332 2.813 20 30 CFEDMN CN(CCC#N)c1ccc(CN2CCO[C@H](C3CC3)C2)cc1 ZINC000368890822 381156645 /nfs/dbraw/zinc/15/66/45/381156645.db2.gz WPHGWOMJXNEVSI-SFHVURJKSA-N 0 1 299.418 2.647 20 30 CFEDMN CCOC1CC(N(C)Cc2cccc(C#N)c2F)C1 ZINC000347405634 381129795 /nfs/dbraw/zinc/12/97/95/381129795.db2.gz ABRLDTBAWZXMLK-UHFFFAOYSA-N 0 1 262.328 2.697 20 30 CFEDMN CC1(C)CN(Cc2cccc(C#N)c2)[C@@H]1[C@H]1CCCO1 ZINC000289922800 381218596 /nfs/dbraw/zinc/21/85/96/381218596.db2.gz UTGXEEIZHJBHEE-HZPDHXFCSA-N 0 1 270.376 2.948 20 30 CFEDMN C=C[C@H](CO)N[C@@H](C)c1sc(C(C)(C)C)nc1C ZINC000290000862 381255913 /nfs/dbraw/zinc/25/59/13/381255913.db2.gz ZCKLSIQVVAWVAF-GXSJLCMTSA-N 0 1 268.426 2.947 20 30 CFEDMN CC(C)c1nc([C@H]2CCCCN2c2cccc(C#N)n2)n[nH]1 ZINC000289932945 381222800 /nfs/dbraw/zinc/22/28/00/381222800.db2.gz ZAVBQNDZXZLUMA-CYBMUJFWSA-N 0 1 296.378 2.926 20 30 CFEDMN Cc1cnn([C@H]2CCN(Cc3ccc(F)c(C#N)c3)C2)c1 ZINC000289936511 381223997 /nfs/dbraw/zinc/22/39/97/381223997.db2.gz PKAHQSAMTYQMRQ-HNNXBMFYSA-N 0 1 284.338 2.649 20 30 CFEDMN C=CC[C@@H](C)NC(=O)[C@H](CC)N(C)Cc1ccccc1 ZINC000354402924 381246402 /nfs/dbraw/zinc/24/64/02/381246402.db2.gz YECBSNGBLSMAPH-ZBFHGGJFSA-N 0 1 274.408 2.978 20 30 CFEDMN C=CCN1C(=O)N=NC1SCc1ccc(CC#N)cc1 ZINC000342571345 381404402 /nfs/dbraw/zinc/40/44/02/381404402.db2.gz QIVHMXBUMFBHJT-UHFFFAOYSA-N 0 1 286.360 2.528 20 30 CFEDMN C#Cc1ccc(CN[C@H](C)c2n[nH]c(C(C)C)n2)cc1 ZINC000290320481 381381480 /nfs/dbraw/zinc/38/14/80/381381480.db2.gz JMSFYAJGKUFDRR-GFCCVEGCSA-N 0 1 268.364 2.760 20 30 CFEDMN CC[C@@H](CO)N(Cc1ccccc1)CC1(C#N)CC1 ZINC000342635436 381447823 /nfs/dbraw/zinc/44/78/23/381447823.db2.gz KMXLZVOMSUCUED-HNNXBMFYSA-N 0 1 258.365 2.563 20 30 CFEDMN C[C@@H]1CC[C@]2(CCN([C@@H](C(N)=O)c3ccc(C#N)cc3)C2)C1 ZINC000359564194 381473939 /nfs/dbraw/zinc/47/39/39/381473939.db2.gz TYPQLJJOBOZAJH-QBIMZIAESA-N 0 1 297.402 2.597 20 30 CFEDMN C=CCOCCCN[C@H](C)c1csc(CC)n1 ZINC000348065044 381460435 /nfs/dbraw/zinc/46/04/35/381460435.db2.gz YQTDCUPPBDIAHI-LLVKDONJSA-N 0 1 254.399 2.949 20 30 CFEDMN C[C@@H]1C[C@H](Nc2c(F)cc(C#N)cc2F)CN1C1CC1 ZINC000290533469 381470245 /nfs/dbraw/zinc/47/02/45/381470245.db2.gz DLPYWMMYGRULHE-KOLCDFICSA-N 0 1 277.318 2.874 20 30 CFEDMN N#Cc1cccc(CN2CCC[C@@H](N3CCCCC3=O)C2)c1 ZINC000370902835 381511575 /nfs/dbraw/zinc/51/15/75/381511575.db2.gz CVCHHYUZTJPGRQ-QGZVFWFLSA-N 0 1 297.402 2.535 20 30 CFEDMN CC(C)CCN(CCC#N)CCC(=O)N1CCCCC1 ZINC000359605193 381502523 /nfs/dbraw/zinc/50/25/23/381502523.db2.gz XUBFEDAPOUVIDF-UHFFFAOYSA-N 0 1 279.428 2.651 20 30 CFEDMN C=C(C)COCCN[C@H](C)c1ccc(Cl)cn1 ZINC000359652354 381534398 /nfs/dbraw/zinc/53/43/98/381534398.db2.gz RYVXSXMVAWQCEW-LLVKDONJSA-N 0 1 254.761 2.978 20 30 CFEDMN COc1ccc(C2(NCc3cc(C#N)n(C)c3)CC2)cc1 ZINC000359715045 381574647 /nfs/dbraw/zinc/57/46/47/381574647.db2.gz DTSQYIZKBNOPJD-UHFFFAOYSA-N 0 1 281.359 2.684 20 30 CFEDMN COC(=O)c1cnc([C@H](C)N[C@H]2CC[C@@H](CC#N)C2)s1 ZINC000414154458 381563476 /nfs/dbraw/zinc/56/34/76/381563476.db2.gz TZNITEUOGRIUJH-DCAQKATOSA-N 0 1 293.392 2.663 20 30 CFEDMN C=CCOc1ccc(CN2CCCO[C@H](CF)C2)cc1 ZINC000414481181 381589683 /nfs/dbraw/zinc/58/96/83/381589683.db2.gz VNCAWHOPHPVZKE-MRXNPFEDSA-N 0 1 279.355 2.812 20 30 CFEDMN CCOC(=O)c1sc([C@@H](C)NCCCCC#N)nc1C ZINC000348487826 381591660 /nfs/dbraw/zinc/59/16/60/381591660.db2.gz CODRVNVLTBTVAQ-LLVKDONJSA-N 0 1 295.408 2.973 20 30 CFEDMN CCOC(=O)c1sc([C@H](C)NCCCCC#N)nc1C ZINC000348487827 381592842 /nfs/dbraw/zinc/59/28/42/381592842.db2.gz CODRVNVLTBTVAQ-NSHDSACASA-N 0 1 295.408 2.973 20 30 CFEDMN N#Cc1csc(C(=O)Nc2ccccc2-c2nnc[nH]2)c1 ZINC000371402648 381616456 /nfs/dbraw/zinc/61/64/56/381616456.db2.gz ZKSJPUDMRKFTOD-UHFFFAOYSA-N 0 1 295.327 2.657 20 30 CFEDMN C=CCNC(=O)CN1CCC(c2ccc(F)cc2C)CC1 ZINC000298431549 381622513 /nfs/dbraw/zinc/62/25/13/381622513.db2.gz YKCBQDCIHPXNCX-UHFFFAOYSA-N 0 1 290.382 2.616 20 30 CFEDMN CC[C@@H]1CN(CC(C)(C)CCC#N)C[C@H](C)[S@@]1=O ZINC000348544962 381624715 /nfs/dbraw/zinc/62/47/15/381624715.db2.gz JWPRPLDWRIMBIL-JCGVRSQUSA-N 0 1 270.442 2.548 20 30 CFEDMN CCC(CC)CN1C[C@H](C#N)[C@]2(C1)c1ccccc1NC2=O ZINC000371468843 381634831 /nfs/dbraw/zinc/63/48/31/381634831.db2.gz BUCWZBRECVDKQC-KBXCAEBGSA-N 0 1 297.402 2.768 20 30 CFEDMN C=C(C)CN1CCN(c2ccc3ccccc3n2)CC1 ZINC000348573706 381642041 /nfs/dbraw/zinc/64/20/41/381642041.db2.gz XKBOCZGGHIYNCL-UHFFFAOYSA-N 0 1 267.376 2.933 20 30 CFEDMN Cc1csc(C(C#N)C(=O)c2ccc3c(c2)ncn3C)n1 ZINC000355149178 381644692 /nfs/dbraw/zinc/64/46/92/381644692.db2.gz PFNSUKRVTIWJJL-NSHDSACASA-N 0 1 296.355 2.828 20 30 CFEDMN C=C(C)CN(CC)[C@H](C)C(=O)Nc1ccnn1C(C)C ZINC000298665244 381703846 /nfs/dbraw/zinc/70/38/46/381703846.db2.gz LSMUSAMUELPTAC-CYBMUJFWSA-N 0 1 278.400 2.689 20 30 CFEDMN CC(C)(C)OC(=O)N[C@@H]1CCC[C@H]2CN(CCC#N)C[C@H]21 ZINC000359993940 381717418 /nfs/dbraw/zinc/71/74/18/381717418.db2.gz AIVOVFRHXOQISW-BFHYXJOUSA-N 0 1 293.411 2.525 20 30 CFEDMN C#CCONC(=O)[C@H](CC)c1cccc(C(F)(F)F)c1 ZINC000291267123 381728684 /nfs/dbraw/zinc/72/86/84/381728684.db2.gz NKTODLYKEKSFFZ-GFCCVEGCSA-N 0 1 285.265 2.880 20 30 CFEDMN C=CCN(CCc1ccco1)C[C@](C)(O)C(F)(F)F ZINC000298723321 381724760 /nfs/dbraw/zinc/72/47/60/381724760.db2.gz BGUZEBMVNRICMP-LBPRGKRZSA-N 0 1 277.286 2.623 20 30 CFEDMN C=CCNC(=O)C[N@H+](C)[C@H](C)c1ccc(C)cc1C ZINC000298835174 381761433 /nfs/dbraw/zinc/76/14/33/381761433.db2.gz BHFGVITUKWZKAH-CQSZACIVSA-N 0 1 260.381 2.598 20 30 CFEDMN C=CCNC(=O)CN(C)[C@H](C)c1ccc(C)cc1C ZINC000298835174 381761439 /nfs/dbraw/zinc/76/14/39/381761439.db2.gz BHFGVITUKWZKAH-CQSZACIVSA-N 0 1 260.381 2.598 20 30 CFEDMN Cc1nc(N2CCN(C)C[C@@H]2c2ccccc2)ccc1C#N ZINC000291689207 381769911 /nfs/dbraw/zinc/76/99/11/381769911.db2.gz SHTKCYPOQFYDPX-QGZVFWFLSA-N 0 1 292.386 2.755 20 30 CFEDMN Cc1nc(N2CCN(C)C[C@H]2c2ccccc2)ccc1C#N ZINC000291689203 381770177 /nfs/dbraw/zinc/77/01/77/381770177.db2.gz SHTKCYPOQFYDPX-KRWDZBQOSA-N 0 1 292.386 2.755 20 30 CFEDMN CCN(CCC#N)CCCCC(=O)OC(C)(C)C ZINC000343533704 381779248 /nfs/dbraw/zinc/77/92/48/381779248.db2.gz HHJJZMUVTKIQQP-UHFFFAOYSA-N 0 1 254.374 2.734 20 30 CFEDMN C#CCN1CCC(C(=O)N(C)[C@H](C)c2ccccc2)CC1 ZINC000299138098 381837737 /nfs/dbraw/zinc/83/77/37/381837737.db2.gz HSSIRPGRCYGBTG-OAHLLOKOSA-N 0 1 284.403 2.551 20 30 CFEDMN C#C[C@@H](NCc1nn(CC)c2ccccc12)C(C)C ZINC000289325545 197297639 /nfs/dbraw/zinc/29/76/39/197297639.db2.gz GGAAXKHXUXVZMD-CQSZACIVSA-N 0 1 255.365 2.804 20 30 CFEDMN CC(C)N(C)C(=O)C1CCN(CC#Cc2ccccc2)CC1 ZINC000361689716 381858028 /nfs/dbraw/zinc/85/80/28/381858028.db2.gz QANUPFAAWYMZGI-UHFFFAOYSA-N 0 1 298.430 2.617 20 30 CFEDMN Cn1cc(C(=O)C(C#N)c2ccncn2)c2cc(F)ccc21 ZINC000361792638 381863271 /nfs/dbraw/zinc/86/32/71/381863271.db2.gz OQLVBPVQTOYSGL-GFCCVEGCSA-N 0 1 294.289 2.597 20 30 CFEDMN OCC[C@H](NCC#Cc1ccccc1)c1ccccc1 ZINC000361866636 381869512 /nfs/dbraw/zinc/86/95/12/381869512.db2.gz BHOAFKQAALSFGL-SFHVURJKSA-N 0 1 265.356 2.751 20 30 CFEDMN C=CCOc1ccc(C(=O)N[C@@H]2CCCc3cn[nH]c32)cc1 ZINC000362094571 381908321 /nfs/dbraw/zinc/90/83/21/381908321.db2.gz IFZOTFSMPNUJEK-OAHLLOKOSA-N 0 1 297.358 2.782 20 30 CFEDMN C=CCOCCCN1C[C@H](O)C[C@H]1c1cc(F)ccc1F ZINC000343740415 381916938 /nfs/dbraw/zinc/91/69/38/381916938.db2.gz MFAQBRDYFVODAA-CJNGLKHVSA-N 0 1 297.345 2.665 20 30 CFEDMN Cn1ccnc1[C@H]1CCCN(Cc2cc(C#N)ccc2F)C1 ZINC000373096466 381925798 /nfs/dbraw/zinc/92/57/98/381925798.db2.gz DDXSKMFNDGNOHV-AWEZNQCLSA-N 0 1 298.365 2.810 20 30 CFEDMN C=CCC(CC=C)C(=O)N1CCC(c2cnc[nH]2)CC1 ZINC000362240400 381970092 /nfs/dbraw/zinc/97/00/92/381970092.db2.gz SNRMRGLVKJYPCJ-UHFFFAOYSA-N 0 1 273.380 2.884 20 30 CFEDMN COc1ccc(CN2CC3(C2)CCCC3)cc1C#N ZINC000362308670 382000673 /nfs/dbraw/zinc/00/06/73/382000673.db2.gz JUHAQIQZSNUPHJ-UHFFFAOYSA-N 0 1 256.349 2.943 20 30 CFEDMN C=CCSc1ccccc1C(=O)NCc1cn[nH]c1C ZINC000350115272 382006111 /nfs/dbraw/zinc/00/61/11/382006111.db2.gz LQTXRVCYEGQQQG-UHFFFAOYSA-N 0 1 287.388 2.926 20 30 CFEDMN N#C[C@@H]1CC[C@@H](NCc2ccn(-c3ccccc3)n2)C1 ZINC000349801533 381991870 /nfs/dbraw/zinc/99/18/70/381991870.db2.gz LWKNNPINOXZEAY-ZIAGYGMSSA-N 0 1 266.348 2.654 20 30 CFEDMN C=CCc1cc(CNC(C)(C)CF)cc(OC)c1O ZINC000349820417 381993234 /nfs/dbraw/zinc/99/32/34/381993234.db2.gz GJXVNVUZRCKDDF-UHFFFAOYSA-N 0 1 267.344 2.967 20 30 CFEDMN N#Cc1cccc([C@@H]2CN(Cc3ccccc3O)CCO2)c1 ZINC000374895926 382059930 /nfs/dbraw/zinc/05/99/30/382059930.db2.gz NPHOMYYGVPSTJQ-SFHVURJKSA-N 0 1 294.354 2.837 20 30 CFEDMN C=CCOc1ccc(CNCc2conc2C)cc1 ZINC000293178021 382019808 /nfs/dbraw/zinc/01/98/08/382019808.db2.gz GZSHOCYVJBFWLC-UHFFFAOYSA-N 0 1 258.321 2.838 20 30 CFEDMN CCN(CC#N)C(=O)c1cc(-c2ccc(C)c(C)c2)[nH]n1 ZINC000343933970 382026264 /nfs/dbraw/zinc/02/62/64/382026264.db2.gz WPRUSLLCOWKXNF-UHFFFAOYSA-N 0 1 282.347 2.679 20 30 CFEDMN C=C(C)CCc1noc(CCc2nc3ccncc3[nH]2)n1 ZINC000351115411 382029263 /nfs/dbraw/zinc/02/92/63/382029263.db2.gz CCEUYLBCKJHMMI-UHFFFAOYSA-N 0 1 283.335 2.635 20 30 CFEDMN C=C(C)CCc1noc(CCc2nc3cnccc3[nH]2)n1 ZINC000351115411 382029264 /nfs/dbraw/zinc/02/92/64/382029264.db2.gz CCEUYLBCKJHMMI-UHFFFAOYSA-N 0 1 283.335 2.635 20 30 CFEDMN C=CCC(F)(F)C(=O)N[C@@H]1CCN(C)[C@@H]1c1ccccc1 ZINC000293407494 382111447 /nfs/dbraw/zinc/11/14/47/382111447.db2.gz KCWMCIPIZATJOG-ZIAGYGMSSA-N 0 1 294.345 2.759 20 30 CFEDMN C(#Cc1ccccc1)CN1CCCC[C@@H]1Cn1cccn1 ZINC000375972611 382112971 /nfs/dbraw/zinc/11/29/71/382112971.db2.gz GGCLBTFOFKQKFV-GOSISDBHSA-N 0 1 279.387 2.789 20 30 CFEDMN C=CCN1CC[C@H](N2CC[C@@H](c3csc(C)c3)C2)C1=O ZINC000375615418 382092231 /nfs/dbraw/zinc/09/22/31/382092231.db2.gz ZFGVEDDTLASNPM-HIFRSBDPSA-N 0 1 290.432 2.633 20 30 CFEDMN C=CCN1CC[C@H](N2CC=C(c3ccccc3)CC2)C1=O ZINC000375607682 382092433 /nfs/dbraw/zinc/09/24/33/382092433.db2.gz NQVUQEBGNPIHFJ-KRWDZBQOSA-N 0 1 282.387 2.563 20 30 CFEDMN CN(CCc1ccccc1O)Cc1ccccc1C#N ZINC000344165617 382174237 /nfs/dbraw/zinc/17/42/37/382174237.db2.gz RJESNIUVPGONOL-UHFFFAOYSA-N 0 1 266.344 2.938 20 30 CFEDMN CN(CC#Cc1ccc(F)cc1)C[C@H](O)Cc1ccccc1 ZINC000293472345 382136804 /nfs/dbraw/zinc/13/68/04/382136804.db2.gz XMPUGYWDVDKNCA-LJQANCHMSA-N 0 1 297.373 2.713 20 30 CFEDMN Cc1cccc(CN(C)CCOCc2ccc(C#N)cc2)n1 ZINC000344126893 382145418 /nfs/dbraw/zinc/14/54/18/382145418.db2.gz YDNAVDAHHKISRY-UHFFFAOYSA-N 0 1 295.386 2.910 20 30 CFEDMN CC[C@]1(CO)CCCN(Cc2cc(C#N)ccc2F)C1 ZINC000187528196 382203422 /nfs/dbraw/zinc/20/34/22/382203422.db2.gz MJXGQMXZYRJENU-INIZCTEOSA-N 0 1 276.355 2.682 20 30 CFEDMN CC[C@]1(CO)CCCN(Cc2cc(C#N)ccc2OC)C1 ZINC000187620839 382228552 /nfs/dbraw/zinc/22/85/52/382228552.db2.gz DFGPONOBYHCDIN-KRWDZBQOSA-N 0 1 288.391 2.551 20 30 CFEDMN CCc1nc([C@@H]2CCCN(Cc3ccc(C#N)cc3)C2)no1 ZINC000377499472 382279108 /nfs/dbraw/zinc/27/91/08/382279108.db2.gz QXVQSYSCBRMBHK-OAHLLOKOSA-N 0 1 296.374 2.883 20 30 CFEDMN C=CCC(C)(C)CNC(=O)c1ccc2cncn2c1 ZINC000293698431 382238900 /nfs/dbraw/zinc/23/89/00/382238900.db2.gz DCYUHXBJYZOGAP-UHFFFAOYSA-N 0 1 257.337 2.666 20 30 CFEDMN C=C(C)CCN[C@@H](C(=O)NC1CC1)c1ccc(F)cc1 ZINC000419227390 382251106 /nfs/dbraw/zinc/25/11/06/382251106.db2.gz SJUOXZZVKFMRFM-OAHLLOKOSA-N 0 1 276.355 2.701 20 30 CFEDMN C=C(C)CCN1CCO[C@H](COc2ccccc2)C1 ZINC000352393675 382306039 /nfs/dbraw/zinc/30/60/39/382306039.db2.gz AROQUBQVACUFCC-INIZCTEOSA-N 0 1 261.365 2.732 20 30 CFEDMN C=C(C)CN(CC)[C@H](C)C(=O)NCC1CCCCC1 ZINC000302737797 382307671 /nfs/dbraw/zinc/30/76/71/382307671.db2.gz GTGFKJIOOSBRJX-CQSZACIVSA-N 0 1 266.429 2.969 20 30 CFEDMN C=CCC(CC=C)C(=O)N1C[C@H](C)N(CC)C[C@@H]1C ZINC000345896573 382321449 /nfs/dbraw/zinc/32/14/49/382321449.db2.gz ADUHRGMILDZTMH-KBPBESRZSA-N 0 1 264.413 2.696 20 30 CFEDMN N#Cc1ccc(CN2CC[C@@H](c3ccccc3)[C@@H](CO)C2)o1 ZINC000377699556 382323328 /nfs/dbraw/zinc/32/33/28/382323328.db2.gz LITNSVNBSWCRPW-QAPCUYQASA-N 0 1 296.370 2.749 20 30 CFEDMN C=C(C)CN(CC)c1nc(C(F)(F)F)nc2[nH]cnc21 ZINC000302823106 382328284 /nfs/dbraw/zinc/32/82/84/382328284.db2.gz FLHFMJJZCWMXDT-UHFFFAOYSA-N 0 1 285.273 2.774 20 30 CFEDMN C=CCOCCN[C@@](C)(CC)c1nc(C)cs1 ZINC000293911950 382333343 /nfs/dbraw/zinc/33/33/43/382333343.db2.gz WZVUHVVGAZUSIH-ZDUSSCGKSA-N 0 1 254.399 2.869 20 30 CFEDMN COc1ccc(C#N)cc1CN1CC[C@H](n2cc(C)cn2)C1 ZINC000377761895 382337788 /nfs/dbraw/zinc/33/77/88/382337788.db2.gz MJMLSRKKHVTEMV-INIZCTEOSA-N 0 1 296.374 2.519 20 30 CFEDMN C=CCCCCNC(=O)N[C@@H](c1nnc[nH]1)c1ccccc1 ZINC000364733729 382353377 /nfs/dbraw/zinc/35/33/77/382353377.db2.gz GGZDTRJHXBMLLU-CQSZACIVSA-N 0 1 299.378 2.550 20 30 CFEDMN CN(Cc1cc(C#N)n(C)c1)[C@@H]1CCCc2cccnc21 ZINC000365240328 382364782 /nfs/dbraw/zinc/36/47/82/382364782.db2.gz IBTRGNUXCXXWBY-MRXNPFEDSA-N 0 1 280.375 2.801 20 30 CFEDMN N#Cc1ccc(CN2CCCO[C@H]3CCC[C@H]32)cc1F ZINC000365274977 382370103 /nfs/dbraw/zinc/37/01/03/382370103.db2.gz NGNAATDHKYHSMO-CVEARBPZSA-N 0 1 274.339 2.841 20 30 CFEDMN C#CCOc1ccc([C@H](C)NCc2cnccc2OC)cc1 ZINC000294026077 382383149 /nfs/dbraw/zinc/38/31/49/382383149.db2.gz FFKRZSAUMYZKSC-AWEZNQCLSA-N 0 1 296.370 2.953 20 30 CFEDMN C=C[C@H](CO)N[C@@H]1CCc2sc(Br)cc21 ZINC000294028600 382385256 /nfs/dbraw/zinc/38/52/56/382385256.db2.gz FKBORXZQYFOZSB-VXNVDRBHSA-N 0 1 288.210 2.634 20 30 CFEDMN C=CCC(CC=C)C(=O)NCCN1CC=C(C)CC1 ZINC000358077900 382441644 /nfs/dbraw/zinc/44/16/44/382441644.db2.gz LUOCQUINTHJOLA-UHFFFAOYSA-N 0 1 262.397 2.523 20 30 CFEDMN CCCCn1nccc1NC(=O)c1ccc(C#N)c(O)c1 ZINC000188406614 382408243 /nfs/dbraw/zinc/40/82/43/382408243.db2.gz SMAOSSXSEUACSS-UHFFFAOYSA-N 0 1 284.319 2.513 20 30 CFEDMN C=CCN(C)[C@@H]1CCCN(Cc2ccc(F)cc2F)C1=O ZINC000346569048 382417952 /nfs/dbraw/zinc/41/79/52/382417952.db2.gz LJLXHODMRIFBJL-OAHLLOKOSA-N 0 1 294.345 2.574 20 30 CFEDMN CC(C)c1csc(C(C#N)C(=O)N[C@H](C)C2CC2)n1 ZINC000358095808 382451536 /nfs/dbraw/zinc/45/15/36/382451536.db2.gz LGUXMQVRNQWJQI-KOLCDFICSA-N 0 1 277.393 2.788 20 30 CFEDMN CC(C)c1csc(C(C#N)C(=O)N[C@@H](C)C2CC2)n1 ZINC000358095807 382451708 /nfs/dbraw/zinc/45/17/08/382451708.db2.gz LGUXMQVRNQWJQI-GXSJLCMTSA-N 0 1 277.393 2.788 20 30 CFEDMN C=CCN1CCC(Oc2cnc3ccccc3n2)CC1 ZINC000365859338 382454137 /nfs/dbraw/zinc/45/41/37/382454137.db2.gz OTMQJOMLPQMIGC-UHFFFAOYSA-N 0 1 269.348 2.659 20 30 CFEDMN CC[C@@H](C)c1ncc(NC(=O)c2ccc(C#N)c(O)c2)cn1 ZINC000358144939 382467339 /nfs/dbraw/zinc/46/73/39/382467339.db2.gz GQMOGYCMKJRMEQ-SNVBAGLBSA-N 0 1 296.330 2.820 20 30 CFEDMN N#Cc1cccc(SCCN2C[C@H]3CC[C@@H](C2)O3)c1 ZINC000378504226 382474329 /nfs/dbraw/zinc/47/43/29/382474329.db2.gz BRKPDNSGUZXVQT-OKILXGFUSA-N 0 1 274.389 2.514 20 30 CFEDMN C=C(C)CN(CCOCC)Cc1cnn(C(C)C)c1 ZINC000352904967 382483421 /nfs/dbraw/zinc/48/34/21/382483421.db2.gz WNZYGDNQXOSFLE-UHFFFAOYSA-N 0 1 265.401 2.879 20 30 CFEDMN C=CC(C)(C)C(=O)N[C@H]1CCCN(Cc2ccccc2)C1 ZINC000294301413 382501547 /nfs/dbraw/zinc/50/15/47/382501547.db2.gz CDWNMXMAKBOWQL-INIZCTEOSA-N 0 1 286.419 2.979 20 30 CFEDMN COc1cc(CNCc2cccc(O)c2)ccc1C#N ZINC000353183827 382518736 /nfs/dbraw/zinc/51/87/36/382518736.db2.gz ATSKHBINOBSERI-UHFFFAOYSA-N 0 1 268.316 2.562 20 30 CFEDMN COc1ccc(CN[C@H]2CCc3ccc(C#N)cc32)cn1 ZINC000353425464 382545138 /nfs/dbraw/zinc/54/51/38/382545138.db2.gz KIHHQZLCXJXORG-INIZCTEOSA-N 0 1 279.343 2.739 20 30 CFEDMN Cc1ccc([C@H](C)N(C)CC(=O)NC2(C#N)CCC2)c(C)c1 ZINC000346853117 382545485 /nfs/dbraw/zinc/54/54/85/382545485.db2.gz VLVRUPDKAATMJF-HNNXBMFYSA-N 0 1 299.418 2.859 20 30 CFEDMN C=CC[C@@H](CC)NC(=O)N1CCC(c2cn[nH]c2C)CC1 ZINC000367067868 382557918 /nfs/dbraw/zinc/55/79/18/382557918.db2.gz OVIKJXRXNMEBOK-CQSZACIVSA-N 0 1 290.411 2.962 20 30 CFEDMN C=CCSCCN[C@@H](c1nnc[nH]1)c1ccc(F)cc1 ZINC000294812499 382531485 /nfs/dbraw/zinc/53/14/85/382531485.db2.gz PTZVQIWDMOMWEI-CYBMUJFWSA-N 0 1 292.383 2.542 20 30 CFEDMN C=CCN(C)C[C@H](O)c1ccccc1C(F)(F)F ZINC000189054513 382532641 /nfs/dbraw/zinc/53/26/41/382532641.db2.gz SZQZMNPOAXEDMK-LBPRGKRZSA-N 0 1 259.271 2.857 20 30 CFEDMN CC[C@H](C)N1CCN(Cc2ccc(C#N)s2)CC1 ZINC000295246856 382598238 /nfs/dbraw/zinc/59/82/38/382598238.db2.gz PWEYZBNNAHHWEZ-LBPRGKRZSA-N 0 1 263.410 2.536 20 30 CFEDMN COc1cnccc1[C@@H](C)NCc1ccc(C#N)cc1 ZINC000189546777 382622762 /nfs/dbraw/zinc/62/27/62/382622762.db2.gz NUYNBPLEYBTFBB-GFCCVEGCSA-N 0 1 267.332 2.813 20 30 CFEDMN C=CCNC(=O)[C@@H](C)N[C@H](C)c1cc2ccccc2o1 ZINC000190643792 382675947 /nfs/dbraw/zinc/67/59/47/382675947.db2.gz UFTNXSZPZQGMIA-VXGBXAGGSA-N 0 1 272.348 2.774 20 30 CFEDMN Cc1ccn(C)c1C(=O)[C@H](C#N)c1cnc2ccccc2n1 ZINC000190897275 382684440 /nfs/dbraw/zinc/68/44/40/382684440.db2.gz QVFCYKDDCOPVJY-GFCCVEGCSA-N 0 1 290.326 2.767 20 30 CFEDMN Cc1ccc([C@@H](C)NCc2cc(C#N)n(C)c2)cc1[N+](=O)[O-] ZINC000191290467 382697869 /nfs/dbraw/zinc/69/78/69/382697869.db2.gz RVWLIFGOIOKHIK-GFCCVEGCSA-N 0 1 298.346 2.964 20 30 CFEDMN C=CCN(CCOC)Cc1cc(Cl)c2c(c1)OCCO2 ZINC000191759967 382702437 /nfs/dbraw/zinc/70/24/37/382702437.db2.gz WBOHSHVJQZJVIH-UHFFFAOYSA-N 0 1 297.782 2.746 20 30 CFEDMN CC[N@@H+](C(C)C)[C@H]1CCCN(c2ccc(C#N)cc2)C1=O ZINC000192549709 382710013 /nfs/dbraw/zinc/71/00/13/382710013.db2.gz GLHOXMMEPKBHDS-INIZCTEOSA-N 0 1 285.391 2.784 20 30 CFEDMN Cn1cc(CCN2CCC[C@H]2[C@H](C#N)c2ccccc2)cn1 ZINC000336856147 382735786 /nfs/dbraw/zinc/73/57/86/382735786.db2.gz KPOZNOHRCIIZTJ-MSOLQXFVSA-N 0 1 294.402 2.734 20 30 CFEDMN C=CCNC(=O)[C@@H](C)[N@@H+](C)CCCCc1ccccc1 ZINC000193438468 382719824 /nfs/dbraw/zinc/71/98/24/382719824.db2.gz WSMNNTVFMMXMJL-OAHLLOKOSA-N 0 1 274.408 2.632 20 30 CFEDMN COC[C@H](NCCCC#N)c1ccc(Cl)cc1 ZINC000193665157 382722234 /nfs/dbraw/zinc/72/22/34/382722234.db2.gz HJSLEYYGCKYSJU-ZDUSSCGKSA-N 0 1 252.745 2.921 20 30 CFEDMN COc1cc(CNCc2ccc([N+](=O)[O-])cc2)ccc1C#N ZINC000336866506 382736758 /nfs/dbraw/zinc/73/67/58/382736758.db2.gz XQWDMYSDMBNLRD-UHFFFAOYSA-N 0 1 297.314 2.765 20 30 CFEDMN C=CCN1CC[C@H](N(C)Cc2c(C)cc(C)cc2C)C1=O ZINC000337122804 382763654 /nfs/dbraw/zinc/76/36/54/382763654.db2.gz BQULVHZDCKNDQV-KRWDZBQOSA-N 0 1 286.419 2.831 20 30 CFEDMN C=CCN1CC[C@@H](N(CC)Cc2cccc(Cl)c2)C1=O ZINC000337140202 382766899 /nfs/dbraw/zinc/76/68/99/382766899.db2.gz QUNODGHYMPUZBZ-OAHLLOKOSA-N 0 1 292.810 2.949 20 30 CFEDMN N#Cc1ccc(CN[C@@H]2CCCO[C@H]2c2ccncc2)o1 ZINC000337250789 382786060 /nfs/dbraw/zinc/78/60/60/382786060.db2.gz KFUVLVVOKJQJOV-CVEARBPZSA-N 0 1 283.331 2.556 20 30 CFEDMN C[C@@](CO)(NCc1cc(C#N)cs1)c1ccccc1 ZINC000224162524 382809261 /nfs/dbraw/zinc/80/92/61/382809261.db2.gz DSANVNIVSGXXAG-HNNXBMFYSA-N 0 1 272.373 2.617 20 30 CFEDMN N#Cc1cccc(NC(=O)CN2CCC[C@H]3CCC[C@H]32)c1 ZINC000228012848 382843466 /nfs/dbraw/zinc/84/34/66/382843466.db2.gz GVHFESGLGZZJEO-GDBMZVCRSA-N 0 1 283.375 2.761 20 30 CFEDMN COC(=O)c1cccc(CN(C)CC2CCC2)c1C#N ZINC000533758794 382910266 /nfs/dbraw/zinc/91/02/66/382910266.db2.gz SYZCLGMZVNEEGR-UHFFFAOYSA-N 0 1 272.348 2.577 20 30 CFEDMN C=CCCCN(C)Cc1cccc(C(=O)OC)c1C#N ZINC000533759070 382910586 /nfs/dbraw/zinc/91/05/86/382910586.db2.gz BVARYWSKWLEUGP-UHFFFAOYSA-N 0 1 272.348 2.743 20 30 CFEDMN N#Cc1ccc(CNCc2cccc(N3CCC3=O)c2)cc1 ZINC000441215386 382901020 /nfs/dbraw/zinc/90/10/20/382901020.db2.gz CCGYEXCKYXWFGM-UHFFFAOYSA-N 0 1 291.354 2.585 20 30 CFEDMN CCN(Cc1nnc(-c2cccc(C#N)c2)o1)C(C)C ZINC000441236297 382902687 /nfs/dbraw/zinc/90/26/87/382902687.db2.gz ZEWFDWCYVMLUNT-UHFFFAOYSA-N 0 1 270.336 2.839 20 30 CFEDMN CCCOc1ncccc1CN[C@@H]1CC[C@H](C#N)C1 ZINC000442775109 382954566 /nfs/dbraw/zinc/95/45/66/382954566.db2.gz FRLPHKLSWMVMKF-GXTWGEPZSA-N 0 1 259.353 2.652 20 30 CFEDMN C=CCN(C[C@H]1CCCC(C)(C)C1)[C@H]1CCS(=O)(=O)C1 ZINC000535797054 382955139 /nfs/dbraw/zinc/95/51/39/382955139.db2.gz MNJLEGUFARRINT-GJZGRUSLSA-N 0 1 299.480 2.878 20 30 CFEDMN Cc1c(C#N)cccc1C(=O)N1CCN(C2CCCC2)CC1 ZINC000338085654 382918982 /nfs/dbraw/zinc/91/89/82/382918982.db2.gz JOXBHFNOXVLSIY-UHFFFAOYSA-N 0 1 297.402 2.567 20 30 CFEDMN CC[C@@]1(O)CCN(CC#Cc2ccc(Cl)cc2)C1 ZINC000495218820 382972989 /nfs/dbraw/zinc/97/29/89/382972989.db2.gz GQLFHDCTZUJBCH-OAHLLOKOSA-N 0 1 263.768 2.538 20 30 CFEDMN COC(=O)[C@]1(C)CCCN1CCCCC(C)(C)C#N ZINC000444685444 382975952 /nfs/dbraw/zinc/97/59/52/382975952.db2.gz RTZKHYPXYZGSJY-HNNXBMFYSA-N 0 1 266.385 2.734 20 30 CFEDMN C=C(CC)CN(CCNC(C)=O)Cc1ccsc1 ZINC000338316259 382989349 /nfs/dbraw/zinc/98/93/49/382989349.db2.gz PIIGHJUSGNDYRL-UHFFFAOYSA-N 0 1 266.410 2.652 20 30 CFEDMN C[C@H](NCCOc1cccc(C#N)c1)c1ccncc1F ZINC000338360635 383003763 /nfs/dbraw/zinc/00/37/63/383003763.db2.gz XOTWPGIPBZPCOB-LBPRGKRZSA-N 0 1 285.322 2.822 20 30 CFEDMN CC(C)[C@@H](C#N)NC(=O)c1cccc(C(F)(F)F)c1O ZINC000579370805 383010153 /nfs/dbraw/zinc/01/01/53/383010153.db2.gz BNYRJSKUUVRMHW-SNVBAGLBSA-N 0 1 286.253 2.689 20 30 CFEDMN CCn1cc(CN(C)Cc2ccc(CC#N)cc2)cn1 ZINC000542281756 382968381 /nfs/dbraw/zinc/96/83/81/382968381.db2.gz IIGMXDHAPZTFOE-UHFFFAOYSA-N 0 1 268.364 2.601 20 30 CFEDMN C=CCCOCCNCc1cnc(C(F)(F)F)s1 ZINC000443988250 382970865 /nfs/dbraw/zinc/97/08/65/382970865.db2.gz LSDCKHZNIPPCKZ-UHFFFAOYSA-N 0 1 280.315 2.844 20 30 CFEDMN CN(CCCN(CCC#N)CC1CC1)C(=O)OC(C)(C)C ZINC000497017853 383128685 /nfs/dbraw/zinc/12/86/85/383128685.db2.gz GQUVVLXOFKIHNN-UHFFFAOYSA-N 0 1 295.427 2.869 20 30 CFEDMN C=CCCCCN[C@H](CO)c1c(F)cccc1F ZINC000583303821 383089244 /nfs/dbraw/zinc/08/92/44/383089244.db2.gz ZEIUHZKNOJHOAS-CYBMUJFWSA-N 0 1 255.308 2.944 20 30 CFEDMN C=C[C@@H](CC(=O)N1CCNC[C@@H]1CCC)c1ccccc1 ZINC000583502952 383089623 /nfs/dbraw/zinc/08/96/23/383089623.db2.gz KTKAMAWTZLQNBF-RDJZCZTQSA-N 0 1 286.419 2.947 20 30 CFEDMN C=CCN(CC=C)Cc1c[nH]nc1-c1ccc2c(c1)OCO2 ZINC000505890880 383143728 /nfs/dbraw/zinc/14/37/28/383143728.db2.gz GIPGJBBWSMJPII-UHFFFAOYSA-N 0 1 297.358 2.979 20 30 CFEDMN C[C@@H]1CC[C@@H](NCC2(C#N)CC2)CN1C(=O)OC(C)(C)C ZINC000496428832 383101017 /nfs/dbraw/zinc/10/10/17/383101017.db2.gz GWENXMKSEJXWNK-CHWSQXEVSA-N 0 1 293.411 2.668 20 30 CFEDMN CC(C)(C)OC(=O)NC1(CNCCC#N)CCCCC1 ZINC000496485972 383107549 /nfs/dbraw/zinc/10/75/49/383107549.db2.gz KRKQJGNEEPDFNR-UHFFFAOYSA-N 0 1 281.400 2.717 20 30 CFEDMN N#Cc1c(CN2CC[C@H]3OCCC[C@H]3C2)cn2ccccc12 ZINC000246830389 383110243 /nfs/dbraw/zinc/11/02/43/383110243.db2.gz SMPLPTGJTMWGPZ-KBXCAEBGSA-N 0 1 295.386 2.812 20 30 CFEDMN C=CCNC(=O)[C@H](C)[N@H+]1CC[C@@H](c2ccccc2)[C@@H](C)C1 ZINC000247115618 383145330 /nfs/dbraw/zinc/14/53/30/383145330.db2.gz YPNAGGONYTZDPT-YQQAZPJKSA-N 0 1 286.419 2.803 20 30 CFEDMN C[C@H](c1ccccc1)N(C)C(=O)CN(C)[C@@H]1CC[C@@H](C#N)C1 ZINC000339159818 383171489 /nfs/dbraw/zinc/17/14/89/383171489.db2.gz SXBLACHSTSAZRM-BFYDXBDKSA-N 0 1 299.418 2.830 20 30 CFEDMN C=CCC1(C(=O)Nc2ccc3nc[nH]c3c2)CCOCC1 ZINC000424619849 383212360 /nfs/dbraw/zinc/21/23/60/383212360.db2.gz UEOCSXAWRGIMRS-UHFFFAOYSA-N 0 1 285.347 2.874 20 30 CFEDMN Cc1ccc(CNC[C@@H](C)C#N)c(-c2ccnn2C)c1 ZINC000565491344 383179654 /nfs/dbraw/zinc/17/96/54/383179654.db2.gz BPNFZPKXQJECQO-ZDUSSCGKSA-N 0 1 268.364 2.645 20 30 CFEDMN CN(C(=O)CN1CCC(CCC#N)CC1)C1CCCCC1 ZINC000565773327 383181868 /nfs/dbraw/zinc/18/18/68/383181868.db2.gz OPPUCVYYDGKNIY-UHFFFAOYSA-N 0 1 291.439 2.793 20 30 CFEDMN C=CCOCCN1CCN(c2cccc(F)c2)C[C@@H]1C ZINC000339208803 383184325 /nfs/dbraw/zinc/18/43/25/383184325.db2.gz FGAUDNCZHZEWLA-AWEZNQCLSA-N 0 1 278.371 2.539 20 30 CFEDMN C=CCN(CCOC)Cc1ccc2c(c1)OCCCCO2 ZINC000449283692 383199210 /nfs/dbraw/zinc/19/92/10/383199210.db2.gz LZSVXPFVVYRFIJ-UHFFFAOYSA-N 0 1 291.391 2.872 20 30 CFEDMN C=CCCN1CC(C)(C)O[C@](C)(C(F)(F)F)C1 ZINC000339443010 383199559 /nfs/dbraw/zinc/19/95/59/383199559.db2.gz FGFVXFVIWYPBRW-NSHDSACASA-N 0 1 251.292 2.994 20 30 CFEDMN C[C@@](C#N)(NC(=O)c1ccc2cncn2c1)C1CCCCC1 ZINC000555888414 383149968 /nfs/dbraw/zinc/14/99/68/383149968.db2.gz QNABGMGBZFFMHZ-KRWDZBQOSA-N 0 1 296.374 2.927 20 30 CFEDMN N#CCCNCCCO[C@H]1CCCc2ccccc21 ZINC000515347300 383159657 /nfs/dbraw/zinc/15/96/57/383159657.db2.gz BGMCPJLCBIPALI-INIZCTEOSA-N 0 1 258.365 2.974 20 30 CFEDMN N#Cc1ccc(CN2CCS[C@@H]3CCCC[C@@H]32)nc1 ZINC000567444500 383275877 /nfs/dbraw/zinc/27/58/77/383275877.db2.gz XXMPRDBLOIXECV-LSDHHAIUSA-N 0 1 273.405 2.813 20 30 CFEDMN C=C(C)C(C)(C)C(=O)N1CC[N@H+]([C@@H]2C[C@@H]2C)C[C@H](C)C1 ZINC000424847463 383278364 /nfs/dbraw/zinc/27/83/64/383278364.db2.gz NIWTXAHCSPMIOU-SOUVJXGZSA-N 0 1 278.440 2.777 20 30 CFEDMN CCN(CC(=O)N(C)[C@H](C)c1cccc(C#N)c1)C1CC1 ZINC000425133447 383328585 /nfs/dbraw/zinc/32/85/85/383328585.db2.gz SQAWAIUUMQVXNA-CYBMUJFWSA-N 0 1 285.391 2.562 20 30 CFEDMN COc1ccc(C#N)cc1CN1CCCO[C@@H](C(C)C)C1 ZINC000339826457 383332968 /nfs/dbraw/zinc/33/29/68/383332968.db2.gz QDGMNPMASUIAFH-QGZVFWFLSA-N 0 1 288.391 2.814 20 30 CFEDMN C=C(C)C(C)(C)C(=O)Nc1nc(-c2ccco2)n[nH]1 ZINC000425150960 383333391 /nfs/dbraw/zinc/33/33/91/383333391.db2.gz YZSKOSOJIBZQQR-UHFFFAOYSA-N 0 1 260.297 2.606 20 30 CFEDMN C=CCCCN(C)C(=O)c1cc2[nH]cnc2cc1F ZINC000425194378 383338332 /nfs/dbraw/zinc/33/83/32/383338332.db2.gz PZSNZPYBVMLPCL-UHFFFAOYSA-N 0 1 261.300 2.740 20 30 CFEDMN C=CCCN(C)CC(=O)NCCC1CCCCC1 ZINC000467289458 383350912 /nfs/dbraw/zinc/35/09/12/383350912.db2.gz NGAIIFMQLBBBRX-UHFFFAOYSA-N 0 1 252.402 2.581 20 30 CFEDMN C=CC[N@H+](CCc1ccccc1)[C@@H](CCC)C(=O)[O-] ZINC000568062444 383353047 /nfs/dbraw/zinc/35/30/47/383353047.db2.gz CCEWZEVDTYADNO-HNNXBMFYSA-N 0 1 261.365 2.970 20 30 CFEDMN Cc1cc(N[C@@H]2CC[C@H](C#N)C2)c2cc([N+](=O)[O-])ccc2n1 ZINC000425272087 383356243 /nfs/dbraw/zinc/35/62/43/383356243.db2.gz KBHNTTVRXMEXFI-NWDGAFQWSA-N 0 1 296.330 2.978 20 30 CFEDMN N#CCCC1CCN(CC(=O)N2CCc3ccccc32)CC1 ZINC000568083564 383356960 /nfs/dbraw/zinc/35/69/60/383356960.db2.gz LJQFQHKWHRXXMH-UHFFFAOYSA-N 0 1 297.402 2.591 20 30 CFEDMN C=CCC[C@@H](CO)NCc1ncc(C(C)C)s1 ZINC000449695482 383360897 /nfs/dbraw/zinc/36/08/97/383360897.db2.gz FDTOFVOYFUFCFP-NSHDSACASA-N 0 1 254.399 2.683 20 30 CFEDMN C=CCC[C@H](CO)NCc1ncc(C(C)(C)C)s1 ZINC000449701479 383361681 /nfs/dbraw/zinc/36/16/81/383361681.db2.gz WTWHJEGWMJVCKR-LLVKDONJSA-N 0 1 268.426 2.857 20 30 CFEDMN C[C@@]1(NCc2cccc(F)c2C#N)CCO[C@H]1C1CC1 ZINC000428343622 383454048 /nfs/dbraw/zinc/45/40/48/383454048.db2.gz HAKVTIBXDMMWQV-JKSUJKDBSA-N 0 1 274.339 2.745 20 30 CFEDMN CC(C)(C)[C@H]1CCN(CC#Cc2ccccc2)C[C@H]1O ZINC000484091345 383454122 /nfs/dbraw/zinc/45/41/22/383454122.db2.gz FCKPXIJYFMCVPE-DLBZAZTESA-N 0 1 271.404 2.767 20 30 CFEDMN C[C@@H](NCC1(C#N)CCC1)c1ccc(-n2ccnn2)cc1 ZINC000450686546 383482651 /nfs/dbraw/zinc/48/26/51/383482651.db2.gz CHPJDEBHMRGBPW-CYBMUJFWSA-N 0 1 281.363 2.612 20 30 CFEDMN C=CCCC1(C(=O)Nc2ccc3[nH]nnc3c2)CC1 ZINC000527262352 383468518 /nfs/dbraw/zinc/46/85/18/383468518.db2.gz CMDZYUMNXLTLOR-UHFFFAOYSA-N 0 1 256.309 2.643 20 30 CFEDMN CO[C@@H]1CCCC[C@@H]1NCc1cccc(F)c1C#N ZINC000428427195 383469364 /nfs/dbraw/zinc/46/93/64/383469364.db2.gz QLYHXIFTKMODPM-LSDHHAIUSA-N 0 1 262.328 2.745 20 30 CFEDMN Cc1ccc([C@H]2CCCN2CC(=O)NC2(C#N)CCC2)cc1 ZINC000527377184 383469318 /nfs/dbraw/zinc/46/93/18/383469318.db2.gz FGPPTDLOFLRZBC-MRXNPFEDSA-N 0 1 297.402 2.694 20 30 CFEDMN Cc1n[nH]c(C(=O)N[C@](C)(C#N)C2CCCCC2)c1C ZINC000569162707 383473714 /nfs/dbraw/zinc/47/37/14/383473714.db2.gz XJBRARGAPBDUFN-OAHLLOKOSA-N 0 1 274.368 2.619 20 30 CFEDMN CC[C@@H](C(=O)N[C@@]1(C#N)CC1(C)C)N(C)Cc1ccccc1 ZINC000427897468 383417733 /nfs/dbraw/zinc/41/77/33/383417733.db2.gz RIBBIWNXBHHJRK-MAUKXSAKSA-N 0 1 299.418 2.705 20 30 CFEDMN C=CC[C@H](C(=O)N1CCN(C)[C@@H](C)[C@H]1C)c1ccccc1 ZINC000428021160 383420043 /nfs/dbraw/zinc/42/00/43/383420043.db2.gz HNDCXRQOULZYNA-UXLLHSPISA-N 0 1 286.419 2.897 20 30 CFEDMN Cc1cccnc1C(=O)C(C#N)c1nc2ccccc2n1C ZINC000429353626 383523403 /nfs/dbraw/zinc/52/34/03/383523403.db2.gz AEDNMYSYMMBRFT-GFCCVEGCSA-N 0 1 290.326 2.767 20 30 CFEDMN N#CC(C(=O)c1cnc2c(F)cccc2c1)c1ccncn1 ZINC000429510362 383537743 /nfs/dbraw/zinc/53/77/43/383537743.db2.gz SGXZFCBMDTUSSN-LBPRGKRZSA-N 0 1 292.273 2.654 20 30 CFEDMN CC1(C)CN(C[C@@H](O)CC2(C#N)CC2)[C@H]1c1ccncc1 ZINC000528561594 383577617 /nfs/dbraw/zinc/57/76/17/383577617.db2.gz UEMACTNGWNRRCO-GJZGRUSLSA-N 0 1 285.391 2.519 20 30 CFEDMN CC1(C)CN(C[C@H](O)CC2(C#N)CC2)[C@@H]1c1ccncc1 ZINC000528561596 383577686 /nfs/dbraw/zinc/57/76/86/383577686.db2.gz UEMACTNGWNRRCO-HUUCEWRRSA-N 0 1 285.391 2.519 20 30 CFEDMN C=CC1CCN(C(=O)CN(C)CCc2ccccc2)CC1 ZINC000635548014 383583556 /nfs/dbraw/zinc/58/35/56/383583556.db2.gz KTGCPIXYFCCWMT-UHFFFAOYSA-N 0 1 286.419 2.586 20 30 CFEDMN CCCNC(=O)CCC[N@@H+](CCC#N)CC(C)(C)C ZINC000570222628 383584243 /nfs/dbraw/zinc/58/42/43/383584243.db2.gz UDTDCEWJVCRVOU-UHFFFAOYSA-N 0 1 267.417 2.555 20 30 CFEDMN CCCNC(=O)CCCN(CCC#N)CC(C)(C)C ZINC000570222628 383584247 /nfs/dbraw/zinc/58/42/47/383584247.db2.gz UDTDCEWJVCRVOU-UHFFFAOYSA-N 0 1 267.417 2.555 20 30 CFEDMN Cc1cc(CN2C[C@H](C)O[C@H](C)[C@H]2C)ccc1C#N ZINC000488998149 383590067 /nfs/dbraw/zinc/59/00/67/383590067.db2.gz WFPSGXWVVJJDPN-BFHYXJOUSA-N 0 1 258.365 2.864 20 30 CFEDMN C=CCCN(C)Cc1ccc([N+](=O)[O-])cc1OC ZINC000430237681 383591208 /nfs/dbraw/zinc/59/12/08/383591208.db2.gz PFZGYQPLYMWLSR-UHFFFAOYSA-N 0 1 250.298 2.611 20 30 CFEDMN Cn1nccc1C(=O)C(C#N)c1ncc(C(C)(C)C)s1 ZINC000430583198 383594397 /nfs/dbraw/zinc/59/43/97/383594397.db2.gz MOLCGCFDKWAVGL-SECBINFHSA-N 0 1 288.376 2.664 20 30 CFEDMN Cc1cccc(NC(=O)C(C#N)C(=O)[C@@H]2[C@@H](C)[C@@H]2C2CC2)c1 ZINC000528918164 383676192 /nfs/dbraw/zinc/67/61/92/383676192.db2.gz HYRAMMCQGIRQIO-AEAUEXCSSA-N 0 1 296.370 2.935 20 30 CFEDMN C=CCCC[C@@H](C)N(C)Cc1ccccc1S(N)(=O)=O ZINC000432992667 383752364 /nfs/dbraw/zinc/75/23/64/383752364.db2.gz PNTARBHZZQBOHO-CYBMUJFWSA-N 0 1 296.436 2.511 20 30 CFEDMN C#CCCCC(=O)N1CCN(Cc2ccccc2)C(C)(C)C1 ZINC000192113165 533007353 /nfs/dbraw/zinc/00/73/53/533007353.db2.gz MJUOGVFVUUJJEG-UHFFFAOYSA-N 0 1 298.430 2.913 20 30 CFEDMN C=CCN(Cc1ccccc1F)C[C@@H](O)CCOCC ZINC000434626672 383769685 /nfs/dbraw/zinc/76/96/85/383769685.db2.gz JJAQPERFSFXMLF-HNNXBMFYSA-N 0 1 281.371 2.601 20 30 CFEDMN C=C[C@@H]1CCCCN1Cc1cnc(N2CCCC2)nc1 ZINC000572340050 383774075 /nfs/dbraw/zinc/77/40/75/383774075.db2.gz HRQFRAXJPZAGRR-OAHLLOKOSA-N 0 1 272.396 2.617 20 30 CFEDMN C=CCN(CCc1ccccc1)C(=O)c1cnc(C)[nH]1 ZINC000264724646 383776706 /nfs/dbraw/zinc/77/67/06/383776706.db2.gz PTVFNYDBDYARIQ-UHFFFAOYSA-N 0 1 269.348 2.589 20 30 CFEDMN CC(C)C[C@@H]1COCCN1Cc1ccc(OCC#N)cc1 ZINC000265030883 383819180 /nfs/dbraw/zinc/81/91/80/383819180.db2.gz IHLKQHPNVQRNCE-MRXNPFEDSA-N 0 1 288.391 2.836 20 30 CFEDMN CC#CCN[C@H](CCO)c1cccc(OC(F)(F)F)c1 ZINC000646017529 383821714 /nfs/dbraw/zinc/82/17/14/383821714.db2.gz YBDUVRCOGCOHIA-CYBMUJFWSA-N 0 1 287.281 2.622 20 30 CFEDMN CCn1ccnc1[C@@H](C)NCCOc1ccc(C#N)cc1 ZINC000453139178 383781802 /nfs/dbraw/zinc/78/18/02/383781802.db2.gz AJCCSKUFGZOYES-CYBMUJFWSA-N 0 1 284.363 2.504 20 30 CFEDMN COc1ccc([C@H](CO)N(C)Cc2cccc(C#N)c2)cc1 ZINC000264900071 383798481 /nfs/dbraw/zinc/79/84/81/383798481.db2.gz HSXSTSLHHIPURI-SFHVURJKSA-N 0 1 296.370 2.732 20 30 CFEDMN C=CCCOCCCCC(=O)N1C[C@@H](C)N(CC)[C@@H](C)C1 ZINC000640607662 383841047 /nfs/dbraw/zinc/84/10/47/383841047.db2.gz UBJANAZCDSHOFS-IYBDPMFKSA-N 0 1 296.455 2.691 20 30 CFEDMN C=CCNC(=O)CNC1(c2cccc(Cl)c2)CCC1 ZINC000646094800 383866607 /nfs/dbraw/zinc/86/66/07/383866607.db2.gz UAZJYPDICSLIEL-UHFFFAOYSA-N 0 1 278.783 2.611 20 30 CFEDMN CC(=O)c1ccc(O)c(NC(=O)Cc2ccc(C#N)cc2)c1 ZINC000436680395 383870590 /nfs/dbraw/zinc/87/05/90/383870590.db2.gz NSGPKXLIOMKJCT-UHFFFAOYSA-N 0 1 294.310 2.648 20 30 CFEDMN C#CCCOc1ccc(CNCc2cnn(CC)c2)cc1 ZINC000265372112 383902635 /nfs/dbraw/zinc/90/26/35/383902635.db2.gz AQCBSDJCZGNYFV-UHFFFAOYSA-N 0 1 283.375 2.595 20 30 CFEDMN CC[C@@]1(CO)CCCN1CC#Cc1ccccc1Cl ZINC000439284067 384034240 /nfs/dbraw/zinc/03/42/40/384034240.db2.gz LLLMOFRTIWTGFJ-INIZCTEOSA-N 0 1 277.795 2.928 20 30 CFEDMN C=CCOc1ccc(CN[C@@H](C)c2cnn(C)c2)cc1 ZINC000266134921 384090303 /nfs/dbraw/zinc/09/03/03/384090303.db2.gz FIASCCSUXJJHSI-ZDUSSCGKSA-N 0 1 271.364 2.836 20 30 CFEDMN C=CCNC(=O)CN1CCC[C@]2(CCCc3ccccc32)C1 ZINC000440310632 384078569 /nfs/dbraw/zinc/07/85/69/384078569.db2.gz ATZWNGBEURWYOX-LJQANCHMSA-N 0 1 298.430 2.659 20 30 CFEDMN CC[C@H](C)c1nc([C@H](C)Nc2ccc(C#N)cn2)n[nH]1 ZINC000277462462 384308469 /nfs/dbraw/zinc/30/84/69/384308469.db2.gz QPMNHBKXGJHJMA-UWVGGRQHSA-N 0 1 270.340 2.758 20 30 CFEDMN CC#CC[C@H](CO)NCc1cccc(Cl)c1OCC ZINC000641768290 384335384 /nfs/dbraw/zinc/33/53/84/384335384.db2.gz ZDRZLTBBGVOQKX-CYBMUJFWSA-N 0 1 281.783 2.603 20 30 CFEDMN CCN1CCCC[C@@H]1CNc1snc(Cl)c1C#N ZINC000267553496 384413039 /nfs/dbraw/zinc/41/30/39/384413039.db2.gz YMJDLFFALFFAAK-SECBINFHSA-N 0 1 284.816 2.954 20 30 CFEDMN C#C[C@@H](C)NCc1c(C)nn(Cc2ccc(C)cc2)c1C ZINC000289352984 197309081 /nfs/dbraw/zinc/30/90/81/197309081.db2.gz JINMWWOEHFCFMN-CQSZACIVSA-N 0 1 281.403 2.968 20 30 CFEDMN C=C(C)CN1CCC[C@H](Oc2ncccc2F)C1 ZINC000278349153 384536855 /nfs/dbraw/zinc/53/68/55/384536855.db2.gz CZVBONCTORSFHJ-LBPRGKRZSA-N 0 1 250.317 2.640 20 30 CFEDMN C#CCn1ccc(CN(CC)CCc2ccccc2)n1 ZINC000279703100 384729835 /nfs/dbraw/zinc/72/98/35/384729835.db2.gz JEQTUTGZSNHUKK-UHFFFAOYSA-N 0 1 267.376 2.581 20 30 CFEDMN C=CCC(CC=C)C(=O)NC[C@H](N)c1ccccc1OC ZINC000644092170 384855275 /nfs/dbraw/zinc/85/52/75/384855275.db2.gz IQDXRZHSRVOCKI-HNNXBMFYSA-N 0 1 288.391 2.580 20 30 CFEDMN C#CC[C@H](NCc1cn(C)nc1C)c1ccccc1 ZINC000270165683 385000620 /nfs/dbraw/zinc/00/06/20/385000620.db2.gz GLOQSULNJMSNQS-INIZCTEOSA-N 0 1 253.349 2.583 20 30 CFEDMN C[N@@H+](Cc1ccc(OCC#N)cc1)Cc1cccnc1 ZINC000271051721 385320551 /nfs/dbraw/zinc/32/05/51/385320551.db2.gz XICAQLSWZKPFQK-UHFFFAOYSA-N 0 1 267.332 2.616 20 30 CFEDMN CN(Cc1ccc(OCC#N)cc1)Cc1cccnc1 ZINC000271051721 385320555 /nfs/dbraw/zinc/32/05/55/385320555.db2.gz XICAQLSWZKPFQK-UHFFFAOYSA-N 0 1 267.332 2.616 20 30 CFEDMN CC[C@H]1CN(CC#Cc2ccc(C(F)(F)F)cc2)C[C@@H]1O ZINC000270941990 385276957 /nfs/dbraw/zinc/27/69/57/385276957.db2.gz RRBAVZHIRXPEGB-ZFWWWQNUSA-N 0 1 297.320 2.760 20 30 CFEDMN C[C@H](NCC(=O)N[C@@H]1CCCC[C@@H]1C)c1ccc(C#N)cc1 ZINC000271701998 385389016 /nfs/dbraw/zinc/38/90/16/385389016.db2.gz UGILUVNBAANYJQ-GRDNDAEWSA-N 0 1 299.418 2.904 20 30 CFEDMN C[C@@H](N[C@@H](C)c1cn[nH]c1)c1ccc(C#N)c(F)c1 ZINC000271910773 385398309 /nfs/dbraw/zinc/39/83/09/385398309.db2.gz ARSXJSLJUJDSCM-ZJUUUORDSA-N 0 1 258.300 2.832 20 30 CFEDMN Cc1nn(C)cc1[C@@H](C)NC1(c2cccc(C#N)c2)CC1 ZINC000272330588 385512436 /nfs/dbraw/zinc/51/24/36/385512436.db2.gz XVVHQFYFFSWYKB-GFCCVEGCSA-N 0 1 280.375 2.940 20 30 CFEDMN C=CCC[C@H](N[C@@H](C)CS(=O)(=O)CC)c1ccco1 ZINC000286112255 385560280 /nfs/dbraw/zinc/56/02/80/385560280.db2.gz NTNTUPRHNNRLDM-STQMWFEESA-N 0 1 285.409 2.700 20 30 CFEDMN C=CCNC(=O)CN[C@H](CCC(C)C)c1ccoc1 ZINC000286302781 385585392 /nfs/dbraw/zinc/58/53/92/385585392.db2.gz XDUGPCMAGYQWGZ-CQSZACIVSA-N 0 1 264.369 2.649 20 30 CFEDMN CCc1nc([C@@H](C)Nc2nc(Cl)c(C#N)s2)n[nH]1 ZINC000286513074 385638268 /nfs/dbraw/zinc/63/82/68/385638268.db2.gz NSVGHUNSPKHTQV-RXMQYKEDSA-N 0 1 282.760 2.522 20 30 CFEDMN C=CCS(=O)(=O)CCN[C@@H](C)c1ccc(C)c(C)c1 ZINC000272886662 385642275 /nfs/dbraw/zinc/64/22/75/385642275.db2.gz RRVUXBPJDDREBE-AWEZNQCLSA-N 0 1 281.421 2.555 20 30 CFEDMN CO[C@H]1[C@H]2[C@H]3C[C@@H]1C[C@H]3CN2Cc1cc(F)ccc1C#N ZINC000286540646 385644075 /nfs/dbraw/zinc/64/40/75/385644075.db2.gz OECCDXIKPVEPMW-LKPRIIMKSA-N 0 1 286.350 2.553 20 30 CFEDMN CC#CCCCC(=O)N(C)CCCN(C)Cc1ccco1 ZINC000286661522 385679867 /nfs/dbraw/zinc/67/98/67/385679867.db2.gz NWHFFLSFAVUFKA-UHFFFAOYSA-N 0 1 290.407 2.754 20 30 CFEDMN Cc1cccc(CN2CCN(c3cccnc3C#N)CC2)c1 ZINC000273951486 385696772 /nfs/dbraw/zinc/69/67/72/385696772.db2.gz DYVWPNSPVKRQDQ-UHFFFAOYSA-N 0 1 292.386 2.584 20 30 CFEDMN Cc1cc(C[C@H](C)Nc2cc(C#N)ccc2[N+](=O)[O-])[nH]n1 ZINC000274221510 385742268 /nfs/dbraw/zinc/74/22/68/385742268.db2.gz BVURFWDFGADFBC-VIFPVBQESA-N 0 1 285.307 2.541 20 30 CFEDMN C=CCC[C@H](NCc1cnn(CCOC)c1)c1ccco1 ZINC000287281878 385818243 /nfs/dbraw/zinc/81/82/43/385818243.db2.gz CVRUWXRNRKVJQO-HNNXBMFYSA-N 0 1 289.379 2.920 20 30 CFEDMN C=C(C)[C@@H](NCCC(=O)N(C)C)c1ccc(F)c(F)c1 ZINC000274852512 385883698 /nfs/dbraw/zinc/88/36/98/385883698.db2.gz GFTDZTLZWAFIRI-OAHLLOKOSA-N 0 1 282.334 2.650 20 30 CFEDMN C=CCC[C@H](O)CNC1(c2nc(C)cs2)CCC1 ZINC000275172311 385951484 /nfs/dbraw/zinc/95/14/84/385951484.db2.gz LJRRVWLYMTXRNA-LBPRGKRZSA-N 0 1 266.410 2.747 20 30 CFEDMN C=CCCO[C@@H](C)C(=O)Nc1cc2cn[nH]c2cc1C ZINC000276762328 386036589 /nfs/dbraw/zinc/03/65/89/386036589.db2.gz NPHVNMNTKPNIOZ-NSHDSACASA-N 0 1 273.336 2.791 20 30 CFEDMN C=CCN1CC[C@@H](N(C)C/C(C)=C/c2ccccc2)C1=O ZINC000281244243 195164942 /nfs/dbraw/zinc/16/49/42/195164942.db2.gz MBGGEOUCDXWXNP-LCJXNMAOSA-N 0 1 284.403 2.809 20 30 CFEDMN C=CCN1CC[C@@H](N(C)[C@H]2CCc3ccc(F)cc32)C1=O ZINC000281256696 195169990 /nfs/dbraw/zinc/16/99/90/195169990.db2.gz HETDLGUCFHNQGJ-JKSUJKDBSA-N 0 1 288.366 2.532 20 30 CFEDMN Cc1nn(C(C)C)cc1CNCc1cccc(C#N)c1 ZINC000281286718 195181012 /nfs/dbraw/zinc/18/10/12/195181012.db2.gz IGZUNGLDMBCMBE-UHFFFAOYSA-N 0 1 268.364 2.934 20 30 CFEDMN C=CCSc1ccccc1C(=O)N[C@@H]1CCCN(C)C1 ZINC000681621383 542469829 /nfs/dbraw/zinc/46/98/29/542469829.db2.gz CXGHHEHOKGRRPX-CYBMUJFWSA-N 0 1 290.432 2.789 20 30 CFEDMN CC[C@H]1CN(Cc2ccc(C#N)s2)CCCO1 ZINC000281344784 195204808 /nfs/dbraw/zinc/20/48/08/195204808.db2.gz SYIDNDYDSKMDRN-NSHDSACASA-N 0 1 250.367 2.621 20 30 CFEDMN CCC(CC)CN(CCC#N)C(=O)CCc1cnc[nH]1 ZINC000193169533 262218017 /nfs/dbraw/zinc/21/80/17/262218017.db2.gz SBPVLCHENACQCR-UHFFFAOYSA-N 0 1 276.384 2.521 20 30 CFEDMN C[C@H](O)CCN1CCC[C@H]1[C@@H](C#N)c1ccccc1 ZINC000336804960 262395939 /nfs/dbraw/zinc/39/59/39/262395939.db2.gz OPKXMZIVFAJROX-BPUTZDHNSA-N 0 1 258.365 2.529 20 30 CFEDMN C=CCNC(=O)c1cn[nH]c1-c1ccc(Cl)s1 ZINC000187309688 262399005 /nfs/dbraw/zinc/39/90/05/262399005.db2.gz WREGPFLCIPARBC-UHFFFAOYSA-N 0 1 267.741 2.707 20 30 CFEDMN CSCCCN1CCN(c2ccc(C#N)cc2F)CC1 ZINC000157893992 533566054 /nfs/dbraw/zinc/56/60/54/533566054.db2.gz QVIUQOJOMUZRNO-UHFFFAOYSA-N 0 1 293.411 2.572 20 30 CFEDMN CCCCN(CC)C(=O)CNC1(c2cccc(C#N)c2)CC1 ZINC000341968580 130180202 /nfs/dbraw/zinc/18/02/02/130180202.db2.gz MJDFNAGJMPSZKJ-UHFFFAOYSA-N 0 1 299.418 2.786 20 30 CFEDMN N#Cc1cccc(CN2CC[C@]3(C2)CCCOC3)c1F ZINC000342021176 130204418 /nfs/dbraw/zinc/20/44/18/130204418.db2.gz QKDZDVGXMVOOCA-INIZCTEOSA-N 0 1 274.339 2.700 20 30 CFEDMN CC(C)C(=O)NC[C@H]1CCCN(CC#Cc2ccccc2)C1 ZINC000191982594 130343296 /nfs/dbraw/zinc/34/32/96/130343296.db2.gz MTIYLKJPDWXREO-GOSISDBHSA-N 0 1 298.430 2.522 20 30 CFEDMN CCC1(CO)CCN(CC#Cc2ccccc2)CC1 ZINC000192138450 130380285 /nfs/dbraw/zinc/38/02/85/130380285.db2.gz KAVCVCUBYMANKY-UHFFFAOYSA-N 0 1 257.377 2.523 20 30 CFEDMN C[C@H](C(=O)Nc1cccc(C#N)c1)N1CCC[C@H](C)C1 ZINC000252205393 131133373 /nfs/dbraw/zinc/13/33/73/131133373.db2.gz UZFVICQWFIDXFY-QWHCGFSZSA-N 0 1 271.364 2.617 20 30 CFEDMN Clc1cccc(C#CCN2CCC23CCOCC3)c1 ZINC000683526060 542692388 /nfs/dbraw/zinc/69/23/88/542692388.db2.gz AVPAMPQRUZIOFU-UHFFFAOYSA-N 0 1 275.779 2.946 20 30 CFEDMN CCC#C[C@@H](C)N1CCC(Oc2ncccc2F)CC1 ZINC000683682096 542709638 /nfs/dbraw/zinc/70/96/38/542709638.db2.gz WIQWIXIDLBQPIB-CYBMUJFWSA-N 0 1 276.355 2.866 20 30 CFEDMN C=CCC[C@@H](O)CN(C)Cc1ccc(F)cc1F ZINC000268619468 132036398 /nfs/dbraw/zinc/03/63/98/132036398.db2.gz HZHBULKIWHAKET-CYBMUJFWSA-N 0 1 255.308 2.724 20 30 CFEDMN C=CCCCCCN1CCN(C(=O)c2cccn2C)CC1 ZINC000683779808 542723660 /nfs/dbraw/zinc/72/36/60/542723660.db2.gz UHUQJPRFARISGU-UHFFFAOYSA-N 0 1 289.423 2.529 20 30 CFEDMN COCC#CCN(C)[C@H](COC)c1ccc(Cl)cc1 ZINC000683803485 542727293 /nfs/dbraw/zinc/72/72/93/542727293.db2.gz UMTQEYYJGHBSRV-OAHLLOKOSA-N 0 1 281.783 2.609 20 30 CFEDMN C#CCCOc1ccc(CN[C@@H]2CCCc3c[nH]nc32)cc1 ZINC000268852214 132077711 /nfs/dbraw/zinc/07/77/11/132077711.db2.gz PWBQMQCCANSFJR-QGZVFWFLSA-N 0 1 295.386 2.979 20 30 CFEDMN N#Cc1cc(NC(=O)N[C@H]2CCCc3cn[nH]c32)ccc1F ZINC000268856180 132078103 /nfs/dbraw/zinc/07/81/03/132078103.db2.gz CNNFVCXVKCSDHQ-ZDUSSCGKSA-N 0 1 299.309 2.620 20 30 CFEDMN C[C@H](N[C@@H](C)c1cccc(C#N)c1)c1cnn(C)c1 ZINC000268929283 132090138 /nfs/dbraw/zinc/09/01/38/132090138.db2.gz LTYNEFIEUWDUFY-RYUDHWBXSA-N 0 1 254.337 2.704 20 30 CFEDMN C[C@H](C[N@H+]1CCC[C@@H](C)C1)NCc1ccc(C#N)cc1F ZINC000269445026 132171682 /nfs/dbraw/zinc/17/16/82/132171682.db2.gz UPJGEYFCWKWMBQ-ZIAGYGMSSA-N 0 1 289.398 2.907 20 30 CFEDMN C=CC[C@@H]1N(C(=O)Cc2ccn[nH]2)CCCC1(C)C ZINC000278272658 542765938 /nfs/dbraw/zinc/76/59/38/542765938.db2.gz ZBGFYTPPYRNOCK-ZDUSSCGKSA-N 0 1 261.369 2.546 20 30 CFEDMN C#Cc1cccc(N(CC)C(=O)[C@@H]2CCCc3cn[nH]c32)c1 ZINC000372420548 393447396 /nfs/dbraw/zinc/44/73/96/393447396.db2.gz MMJADLRDMKVQBU-MRXNPFEDSA-N 0 1 293.370 2.864 20 30 CFEDMN C#CCCN(C)Cc1cnn(-c2cccc(Cl)c2)c1 ZINC000372382609 393448070 /nfs/dbraw/zinc/44/80/70/393448070.db2.gz DDNNXJBFDJYIIR-UHFFFAOYSA-N 0 1 273.767 2.981 20 30 CFEDMN C=CCN1CC[C@H](N(CC)[C@H]2CCCc3cccnc32)C1=O ZINC000374084220 393482870 /nfs/dbraw/zinc/48/28/70/393482870.db2.gz OSWCBWATQDGIGR-HOTGVXAUSA-N 0 1 299.418 2.568 20 30 CFEDMN C=CCN1CC[C@@H](N(CC)[C@@H]2CCCc3cccnc32)C1=O ZINC000374084221 393482994 /nfs/dbraw/zinc/48/29/94/393482994.db2.gz OSWCBWATQDGIGR-HZPDHXFCSA-N 0 1 299.418 2.568 20 30 CFEDMN CC(C)n1ncc2c1[C@@H](NCc1cc(C#N)n(C)c1)CCC2 ZINC000373612567 393468582 /nfs/dbraw/zinc/46/85/82/393468582.db2.gz RRGPFKXBYJSPRF-INIZCTEOSA-N 0 1 297.406 2.841 20 30 CFEDMN C=C(Br)CN[C@@H]1c2ccccc2CC[C@@H]1CO ZINC000373805285 393473021 /nfs/dbraw/zinc/47/30/21/393473021.db2.gz CCMXPQBPQCUNCV-OCCSQVGLSA-N 0 1 296.208 2.781 20 30 CFEDMN CC1CCC(CNC(=O)c2cccn3c(O)nnc23)CC1 ZINC000329506338 393540138 /nfs/dbraw/zinc/54/01/38/393540138.db2.gz LMGAYCHJNOOIGI-UHFFFAOYSA-N 0 1 288.351 2.566 20 30 CFEDMN O=C(Nc1ccc2[nH]nnc2c1)[C@@H]1CCCSC1 ZINC000329453027 393536197 /nfs/dbraw/zinc/53/61/97/393536197.db2.gz DBIBLRMQHYNCJI-MRVPVSSYSA-N 0 1 262.338 2.689 20 30 CFEDMN C[C@H](Cn1ccnc1)NC([O-])=[NH+]c1cnc2c(c1)CCCC2 ZINC000329466543 393536335 /nfs/dbraw/zinc/53/63/35/393536335.db2.gz SBJLOCVEJJNLLC-GFCCVEGCSA-N 0 1 299.378 2.572 20 30 CFEDMN C[C@@H]1CN(C(=O)N[C@H]2CCc3nc[nH]c3C2)c2ccccc21 ZINC000329751009 393547826 /nfs/dbraw/zinc/54/78/26/393547826.db2.gz VJIPNWGDVLWBIG-NEPJUHHUSA-N 0 1 296.374 2.805 20 30 CFEDMN CC(C)(O)CN(Cc1cn2ccccc2c1C#N)C1CC1 ZINC000189995064 393577769 /nfs/dbraw/zinc/57/77/69/393577769.db2.gz BTFOCOHLZJIOAT-UHFFFAOYSA-N 0 1 283.375 2.546 20 30 CFEDMN CC(C)[N@@H+](C1CC1)[C@@H]1CCCN(c2ccc(C#N)cc2)C1=O ZINC000192543803 393625896 /nfs/dbraw/zinc/62/58/96/393625896.db2.gz SZMLUTTYVIPZRR-QGZVFWFLSA-N 0 1 297.402 2.926 20 30 CFEDMN C[C@H](CCC#N)N[C@H](CO)c1cccc(Cl)c1F ZINC000411680656 393738276 /nfs/dbraw/zinc/73/82/76/393738276.db2.gz YATWDJYWENLSNO-BXKDBHETSA-N 0 1 270.735 2.794 20 30 CFEDMN CC1(CN2C[C@@H](C#N)[C@]3(C2)c2ccccc2NC3=O)CCC1 ZINC000336137232 393719812 /nfs/dbraw/zinc/71/98/12/393719812.db2.gz CDKRGOYGVPQJSC-FZKQIMNGSA-N 0 1 295.386 2.522 20 30 CFEDMN C=CC[C@H](Cc1ccccc1)NC(=O)CN(CC)C1CC1 ZINC000412837088 393774287 /nfs/dbraw/zinc/77/42/87/393774287.db2.gz GZWYIVOJCNIJHH-MRXNPFEDSA-N 0 1 286.419 2.774 20 30 CFEDMN C[C@@H]1CCN(Cc2cc(C#N)cs2)C[C@@H]1n1ccnc1 ZINC000091960976 393784971 /nfs/dbraw/zinc/78/49/71/393784971.db2.gz FACOMTLLLBHBAS-DOMZBBRYSA-N 0 1 286.404 2.899 20 30 CFEDMN Cc1nc(C(C)(C)NCCOCCC#N)sc1C ZINC000339039049 393812434 /nfs/dbraw/zinc/81/24/34/393812434.db2.gz BSKOPHXMCAPVLY-UHFFFAOYSA-N 0 1 267.398 2.515 20 30 CFEDMN CCC[C@H](C)CN1C[C@H](C#N)[C@@]2(C1)c1ccccc1NC2=O ZINC000342923649 393873948 /nfs/dbraw/zinc/87/39/48/393873948.db2.gz ZBNALZNPLUKEHX-DEYYWGMASA-N 0 1 297.402 2.768 20 30 CFEDMN C=CCCOCCCCC(=O)N1C[C@H](C)N(CC)C[C@@H]1C ZINC000343045566 393878744 /nfs/dbraw/zinc/87/87/44/393878744.db2.gz NDCCETVATINVQO-HOTGVXAUSA-N 0 1 296.455 2.691 20 30 CFEDMN N#Cc1c(F)cccc1CN1CCCCC[C@H]1CCO ZINC000428938220 393922990 /nfs/dbraw/zinc/92/29/90/393922990.db2.gz AHMBRWYPEHHQNN-AWEZNQCLSA-N 0 1 276.355 2.824 20 30 CFEDMN C=CCN(CC=C)Cc1cn(-c2ccncc2)nc1C ZINC000346210419 393923602 /nfs/dbraw/zinc/92/36/02/393923602.db2.gz OJONXHZZDRPMCY-UHFFFAOYSA-N 0 1 268.364 2.750 20 30 CFEDMN CC[C@@H](C#N)S(=O)(=O)[N-]c1ccccc1[NH2+]C(C)(C)C ZINC000416950361 393946982 /nfs/dbraw/zinc/94/69/82/393946982.db2.gz FEJMPHAHJOJLQN-NSHDSACASA-N 0 1 295.408 2.941 20 30 CFEDMN N#CCc1ccc(CN[C@H](CCO)c2ccco2)cc1 ZINC000346170832 393922475 /nfs/dbraw/zinc/92/24/75/393922475.db2.gz AACFYRYMDBYLGU-OAHLLOKOSA-N 0 1 270.332 2.559 20 30 CFEDMN CCNC(=O)C(C#N)c1nc(-c2ccccc2)cs1 ZINC000122057739 393964180 /nfs/dbraw/zinc/96/41/80/393964180.db2.gz HJSNNVGIEJOZTE-LLVKDONJSA-N 0 1 271.345 2.553 20 30 CFEDMN C[C@H]1CC[C@H](C)N1Cc1nnc(-c2ccc(C#N)cc2)o1 ZINC000123098545 393976253 /nfs/dbraw/zinc/97/62/53/393976253.db2.gz FILFYKFIRIYEEQ-RYUDHWBXSA-N 0 1 282.347 2.981 20 30 CFEDMN CC(C)(C)CC[C@@](C)([NH2+]Cc1nc(C#N)cs1)C(=O)[O-] ZINC000417575669 393978491 /nfs/dbraw/zinc/97/84/91/393978491.db2.gz GMXSIIHFUBOIRX-CQSZACIVSA-N 0 1 295.408 2.774 20 30 CFEDMN C[C@H]1CN(C2CC2)C[C@H]1Nc1ncc(C#N)cc1Cl ZINC000268187779 393991062 /nfs/dbraw/zinc/99/10/62/393991062.db2.gz UZPLGTCZPRJLTR-TVQRCGJNSA-N 0 1 276.771 2.501 20 30 CFEDMN C#C[C@H](CC)NCc1cn(-c2ccccc2)nc1C ZINC000491674217 394055690 /nfs/dbraw/zinc/05/56/90/394055690.db2.gz KCSZETNCLYJDJO-OAHLLOKOSA-N 0 1 253.349 2.682 20 30 CFEDMN C#C[C@@H](NCC1=CCCOC1)c1ccc(Cl)cc1 ZINC000491694858 394056652 /nfs/dbraw/zinc/05/66/52/394056652.db2.gz GPMFCJCWNPUPSZ-OAHLLOKOSA-N 0 1 261.752 2.951 20 30 CFEDMN CC(C)(C)OC(=O)N[C@@H]1CCCN(CCC(C)(C)C#N)C1 ZINC000492675152 394074263 /nfs/dbraw/zinc/07/42/63/394074263.db2.gz PLVSSUVSWCHQHI-CYBMUJFWSA-N 0 1 295.427 2.915 20 30 CFEDMN C[C@@H]1CCCN(Cc2ccc(C#N)cc2Cl)[C@@H]1CO ZINC000439431833 394115746 /nfs/dbraw/zinc/11/57/46/394115746.db2.gz RTYMFSYSDGFTQB-IAQYHMDHSA-N 0 1 278.783 2.804 20 30 CFEDMN C=CCNC(=O)CN[C@H](c1cc(F)ccc1F)C(C)C ZINC000358990709 394119536 /nfs/dbraw/zinc/11/95/36/394119536.db2.gz ODWVFUOQSHDAOY-HNNXBMFYSA-N 0 1 282.334 2.554 20 30 CFEDMN C=CCN1CC[C@H](N(C)[C@H](CC)c2ccc(F)cc2)C1=O ZINC000282084464 394120760 /nfs/dbraw/zinc/12/07/60/394120760.db2.gz UVXKIHWJEPJZHT-CVEARBPZSA-N 0 1 290.382 2.996 20 30 CFEDMN CC(C)[N@H+]1CCC[C@H](NC(=O)/C=C/c2cccc(C#N)c2)C1 ZINC000493025434 394128476 /nfs/dbraw/zinc/12/84/76/394128476.db2.gz OXROXPTZFVRXND-IJDCCNJMSA-N 0 1 297.402 2.560 20 30 CFEDMN CC(C)[C@](C)(C#N)NC(=O)CN1CC[C@@]2(CC[C@@H](C)C2)C1 ZINC000359556541 394138010 /nfs/dbraw/zinc/13/80/10/394138010.db2.gz MDDNSRSBOFWOJS-HYVNUMGLSA-N 0 1 291.439 2.553 20 30 CFEDMN C[C@@H]1CN(Cc2ccccc2)[C@@H](C)CN1C(=O)CCCC#N ZINC000360391889 394151000 /nfs/dbraw/zinc/15/10/00/394151000.db2.gz HKIMSIMVBKFYCE-JKSUJKDBSA-N 0 1 299.418 2.802 20 30 CFEDMN C=C(C)COc1cccc(NC(=O)[C@@H]2C[C@@H]2c2nc[nH]n2)c1 ZINC000361036073 394164120 /nfs/dbraw/zinc/16/41/20/394164120.db2.gz QUVJPSXXUFQRTB-UONOGXRCSA-N 0 1 298.346 2.502 20 30 CFEDMN COc1ccsc1CNCc1ccc(C#N)s1 ZINC000421357160 394198201 /nfs/dbraw/zinc/19/82/01/394198201.db2.gz ZNZOVLIWAFBHQW-UHFFFAOYSA-N 0 1 264.375 2.980 20 30 CFEDMN CC[C@@H]1CN(CCOc2ccccc2C#N)CCS1 ZINC000135429290 394219614 /nfs/dbraw/zinc/21/96/14/394219614.db2.gz RLMKOKKZGZTOFJ-CQSZACIVSA-N 0 1 276.405 2.764 20 30 CFEDMN Cc1nc(CSc2nc3c(cc2C#N)CCCC3)n[nH]1 ZINC000291783527 394258447 /nfs/dbraw/zinc/25/84/47/394258447.db2.gz WRARIMKKXXORRB-UHFFFAOYSA-N 0 1 285.376 2.551 20 30 CFEDMN C=C(CNC(=O)[C@@H]1CCCc2[nH]cnc21)c1ccccc1 ZINC000366137863 394240270 /nfs/dbraw/zinc/24/02/70/394240270.db2.gz ZOLFMOIMBDPBKZ-CQSZACIVSA-N 0 1 281.359 2.659 20 30 CFEDMN COc1cc(C)c(CNCc2ccc(C#N)s2)c(C)n1 ZINC000421348723 394194007 /nfs/dbraw/zinc/19/40/07/394194007.db2.gz GYSJDHYBDRKSIM-UHFFFAOYSA-N 0 1 287.388 2.930 20 30 CFEDMN C#CCCN[C@H](c1cccc(OC)c1)c1ccccn1 ZINC000372165950 394307479 /nfs/dbraw/zinc/30/74/79/394307479.db2.gz AWDVENBWLYHHRW-QGZVFWFLSA-N 0 1 266.344 2.793 20 30 CFEDMN Cc1nc(C(C#N)C(=O)NCc2ccccc2)sc1C ZINC000155659094 394320728 /nfs/dbraw/zinc/32/07/28/394320728.db2.gz XKENAPRNWZVHTG-ZDUSSCGKSA-N 0 1 285.372 2.684 20 30 CFEDMN Cc1cc(CN[C@](C)(CO)c2cccc(O)c2)ccc1C#N ZINC000451041578 394350006 /nfs/dbraw/zinc/35/00/06/394350006.db2.gz NVXDJIOSHQBKJY-GOSISDBHSA-N 0 1 296.370 2.570 20 30 CFEDMN CC[C@H](C(=O)Nc1ccc(C(C)(C)C#N)cc1)N(C)C ZINC000177785308 394384994 /nfs/dbraw/zinc/38/49/94/394384994.db2.gz AGIVHNDGAQYBBY-CQSZACIVSA-N 0 1 273.380 2.766 20 30 CFEDMN Cc1cc(CN(C)Cc2cccc(C#N)c2)ccn1 ZINC000527536204 394388774 /nfs/dbraw/zinc/38/87/74/394388774.db2.gz YFDLCKCVPNMAKB-UHFFFAOYSA-N 0 1 251.333 2.894 20 30 CFEDMN COC(=O)c1cccc(CN2C[C@H](C)CC[C@H]2C)c1C#N ZINC000535961931 394550333 /nfs/dbraw/zinc/55/03/33/394550333.db2.gz CINPWYORYNXSGA-CHWSQXEVSA-N 0 1 286.375 2.965 20 30 CFEDMN CCCCN(CC)Cc1cccc(C(=O)OC)c1C#N ZINC000535977056 394550396 /nfs/dbraw/zinc/55/03/96/394550396.db2.gz CUUVCILMBIJTTO-UHFFFAOYSA-N 0 1 274.364 2.967 20 30 CFEDMN C[C@@H]1C[C@H](C)N1[C@@H]1CCCN(c2ccc(C#N)cc2)C1=O ZINC000548096923 394909554 /nfs/dbraw/zinc/90/95/54/394909554.db2.gz VNKCXQRTTSCMLW-DVOMOZLQSA-N 0 1 283.375 2.536 20 30 CFEDMN C[C@H](c1ccc(C#N)cc1)N1CC[C@H](OC(F)F)C1 ZINC000558867303 395078025 /nfs/dbraw/zinc/07/80/25/395078025.db2.gz LRPTXGNWGVPVRY-MFKMUULPSA-N 0 1 266.291 2.933 20 30 CFEDMN C=CCOc1ccc(-c2nc([C@H]3CCCN3)no2)cc1 ZINC000647152907 395184256 /nfs/dbraw/zinc/18/42/56/395184256.db2.gz PBCCXJRJOGPXBI-CYBMUJFWSA-N 0 1 271.320 2.726 20 30 CFEDMN C=CCN1C(=O)N=NC1SCc1ccc(OC)c(C)c1 ZINC000647917284 395458393 /nfs/dbraw/zinc/45/83/93/395458393.db2.gz GMCJUELNMBTGBK-UHFFFAOYSA-N 0 1 291.376 2.779 20 30 CFEDMN COCC#CCN(C)[C@H](C)CSc1ccccc1 ZINC000649665133 395549468 /nfs/dbraw/zinc/54/94/68/395549468.db2.gz BYVCWQULYZQPDS-CQSZACIVSA-N 0 1 263.406 2.749 20 30 CFEDMN C=C(C)CN(CC)C(=O)[C@H](C)N1CCC[C@H](OC(C)C)C1 ZINC000649699191 395554571 /nfs/dbraw/zinc/55/45/71/395554571.db2.gz KTCMGOCPWUISEU-HOTGVXAUSA-N 0 1 296.455 2.689 20 30 CFEDMN Fc1ccc(C#CCN2CC[C@]3(CC3(F)F)C2)cc1 ZINC000649907547 395589815 /nfs/dbraw/zinc/58/98/15/395589815.db2.gz USUMCYHNKKGVLW-AWEZNQCLSA-N 0 1 265.278 2.908 20 30 CFEDMN C#C[C@@H](C)N(C)Cc1cccc(SC(=O)N(C)C)c1 ZINC000491817910 397582179 /nfs/dbraw/zinc/58/21/79/397582179.db2.gz PIVAIBKFPKVGMJ-GFCCVEGCSA-N 0 1 276.405 2.914 20 30 CFEDMN Cc1n[nH]c(C(C)C)c1C(=O)NCC#Cc1ccccc1 ZINC000343083185 397653903 /nfs/dbraw/zinc/65/39/03/397653903.db2.gz WXVJAPZSFHDAQH-UHFFFAOYSA-N 0 1 281.359 2.623 20 30 CFEDMN Cc1ccc(C#N)c(N(C)Cc2cc(C(C)(C)C)[nH]n2)n1 ZINC000343056100 154098702 /nfs/dbraw/zinc/09/87/02/154098702.db2.gz VJUIVRVQQVIFCH-UHFFFAOYSA-N 0 1 283.379 2.919 20 30 CFEDMN Cc1nnc(N(C)Cc2cc(C(C)(C)C)[nH]n2)c(C#N)c1C ZINC000343112001 154116374 /nfs/dbraw/zinc/11/63/74/154116374.db2.gz VJCOYTYGUATZTN-UHFFFAOYSA-N 0 1 298.394 2.622 20 30 CFEDMN CCCNc1ccc(C#N)cc1NC(=O)CN(C)CCC ZINC000345756225 154259892 /nfs/dbraw/zinc/25/98/92/154259892.db2.gz AFCFBUHBWWJYLH-UHFFFAOYSA-N 0 1 288.395 2.660 20 30 CFEDMN COc1ccc(CN(C)Cc2cnccc2C)cc1C#N ZINC000355584930 155046069 /nfs/dbraw/zinc/04/60/69/155046069.db2.gz QKKCKROVGSHGIO-UHFFFAOYSA-N 0 1 281.359 2.902 20 30 CFEDMN CNc1ccc(C#N)cc1NC(=O)c1cccc2nc[nH]c21 ZINC000355656779 155056249 /nfs/dbraw/zinc/05/62/49/155056249.db2.gz OLGLSRPXIOYMOJ-UHFFFAOYSA-N 0 1 291.314 2.729 20 30 CFEDMN CCN(CC)C(=O)[C@@H]1CCCN1Cc1ccc(C#N)c(C)c1 ZINC000362933000 156117982 /nfs/dbraw/zinc/11/79/82/156117982.db2.gz DPGDGODOVZXGAO-KRWDZBQOSA-N 0 1 299.418 2.700 20 30 CFEDMN Cc1c([C@@H]2CCCN2Cc2ccc(C#N)cc2)cnn1C ZINC000367249116 156302003 /nfs/dbraw/zinc/30/20/03/156302003.db2.gz SGUBYEPSWOCQQI-KRWDZBQOSA-N 0 1 280.375 2.937 20 30 CFEDMN C=CCCn1cc(CN([C@H](C)C(C)C)C2CC2)nn1 ZINC000653496632 413332810 /nfs/dbraw/zinc/33/28/10/413332810.db2.gz ZWVRZBWQJCAJTP-CYBMUJFWSA-N 0 1 262.401 2.863 20 30 CFEDMN CO[C@@H]1CCCN(Cc2cc(C#N)ccc2F)CC1 ZINC000374675435 157146329 /nfs/dbraw/zinc/14/63/29/157146329.db2.gz DCUGMKJZFRZIKA-CQSZACIVSA-N 0 1 262.328 2.698 20 30 CFEDMN N#Cc1ccc(F)c(CN2CC[C@]3(C2)CCCOC3)c1 ZINC000375279922 157216811 /nfs/dbraw/zinc/21/68/11/157216811.db2.gz HOVUGCAKDDQNGQ-INIZCTEOSA-N 0 1 274.339 2.700 20 30 CFEDMN C=CCCn1cc(CN2CCC[C@@H](CC)CC2)nn1 ZINC000653557153 413362089 /nfs/dbraw/zinc/36/20/89/413362089.db2.gz FCYANAUZQHYIRR-CQSZACIVSA-N 0 1 262.401 2.866 20 30 CFEDMN C=CCCn1cc(CN2CCCC[C@@H]2C(C)C)nn1 ZINC000653557334 413363422 /nfs/dbraw/zinc/36/34/22/413363422.db2.gz NUKNIDRSYOWUMU-OAHLLOKOSA-N 0 1 262.401 2.865 20 30 CFEDMN C=CCCn1cc(CN2CCC[C@H]3CCC[C@H]32)nn1 ZINC000653559825 413369374 /nfs/dbraw/zinc/36/93/74/413369374.db2.gz WPLCHYYDCIPIFM-UKRRQHHQSA-N 0 1 260.385 2.619 20 30 CFEDMN C=CCCn1cc(CN2CC[C@]3(CC[C@H](C)C3)C2)nn1 ZINC000653612431 413403069 /nfs/dbraw/zinc/40/30/69/413403069.db2.gz PGHGCIZATIFMPC-HOCLYGCPSA-N 0 1 274.412 2.866 20 30 CFEDMN C=CCCn1cc(CN[C@@H]2CCCO[C@@H]2CC(C)C)nn1 ZINC000653622479 413409165 /nfs/dbraw/zinc/40/91/65/413409165.db2.gz FULNRSSZNUYAOR-HZPDHXFCSA-N 0 1 292.427 2.538 20 30 CFEDMN C[C@H](N[C@H](CO)CC(F)(F)F)c1cccc(C#N)c1 ZINC000344302013 162002607 /nfs/dbraw/zinc/00/26/07/162002607.db2.gz VLFRSAIQWDTZHT-CABZTGNLSA-N 0 1 272.270 2.522 20 30 CFEDMN CCc1nc(CNCCOc2ccc(C#N)cc2)cs1 ZINC000344606437 162078400 /nfs/dbraw/zinc/07/84/00/162078400.db2.gz NJTPYUPKASYKAE-UHFFFAOYSA-N 0 1 287.388 2.746 20 30 CFEDMN C[C@H](CNC(=O)c1ccc(C#N)cc1)[N@H+]1CCCC[C@@H]1C ZINC000344620723 162082096 /nfs/dbraw/zinc/08/20/96/162082096.db2.gz PWEZPTMDAFORRT-UONOGXRCSA-N 0 1 285.391 2.551 20 30 CFEDMN CO[C@@H](C)CN(Cc1cc(F)ccc1C#N)C(C)C ZINC000345901706 162272323 /nfs/dbraw/zinc/27/23/23/162272323.db2.gz OKIVNYMQGMFFLR-LBPRGKRZSA-N 0 1 264.344 2.943 20 30 CFEDMN C[C@@]1(CCCO)CCCN1Cc1ccc(F)cc1C#N ZINC000345959215 162284559 /nfs/dbraw/zinc/28/45/59/162284559.db2.gz YPYWAWBOZZSNKD-INIZCTEOSA-N 0 1 276.355 2.824 20 30 CFEDMN COc1cc(CN[C@H](C)c2ccc(C#N)c(F)c2)ccn1 ZINC000346205805 162351005 /nfs/dbraw/zinc/35/10/05/162351005.db2.gz VQYFJKKKXWHDQH-LLVKDONJSA-N 0 1 285.322 2.952 20 30 CFEDMN N#Cc1csc(CNCCSc2ccccc2)n1 ZINC000352830334 163245538 /nfs/dbraw/zinc/24/55/38/163245538.db2.gz AAYHIFOVVGOLTD-UHFFFAOYSA-N 0 1 275.402 2.897 20 30 CFEDMN CCC1(CC)[C@H](NCc2nc(C#N)cs2)[C@H](C)[C@@H]1OC ZINC000352833838 163247213 /nfs/dbraw/zinc/24/72/13/163247213.db2.gz IDRJRIWSLICRIY-GDLCADMTSA-N 0 1 293.436 2.944 20 30 CFEDMN Cc1cnc([C@H](C)CNCc2nc(C#N)cs2)s1 ZINC000352906370 163266984 /nfs/dbraw/zinc/26/69/84/163266984.db2.gz VLXVCZISGFFBNQ-MRVPVSSYSA-N 0 1 278.406 2.673 20 30 CFEDMN COc1ccc(C#N)cc1CN1CC[C@@H](COC(F)F)C1 ZINC000353021858 163287875 /nfs/dbraw/zinc/28/78/75/163287875.db2.gz KIZYJNPDEKYZCK-GFCCVEGCSA-N 0 1 296.317 2.628 20 30 CFEDMN CO[C@@H](C)CN(C)Cc1ccc(C#N)cc1OC(F)F ZINC000353259053 163330774 /nfs/dbraw/zinc/33/07/74/163330774.db2.gz VLLBFOKNNLLJAB-JTQLQIEISA-N 0 1 284.306 2.626 20 30 CFEDMN C=CCCn1cc(CN2C[C@H](CC)CC[C@@H]2C)nn1 ZINC000653754984 413482607 /nfs/dbraw/zinc/48/26/07/413482607.db2.gz CYYJDMIXILCVLJ-UONOGXRCSA-N 0 1 262.401 2.865 20 30 CFEDMN N#Cc1ccc(CN[C@H]2CCO[C@@H]2c2cccnc2)c(F)c1 ZINC000285063507 196188575 /nfs/dbraw/zinc/18/85/75/196188575.db2.gz OWAYSUZXTOJFQS-DLBZAZTESA-N 0 1 297.333 2.712 20 30 CFEDMN C=CCCn1cc(CNC[C@@H](C)c2ncc(C)s2)nn1 ZINC000657434261 413599345 /nfs/dbraw/zinc/59/93/45/413599345.db2.gz BPBHJXUJRPHFFL-LLVKDONJSA-N 0 1 291.424 2.512 20 30 CFEDMN C=CC[C@@H]1CCCN(c2nc(N)nc3c2CCCC3)C1 ZINC000664256017 413655297 /nfs/dbraw/zinc/65/52/97/413655297.db2.gz NWKDDOHNVKGAPA-GFCCVEGCSA-N 0 1 272.396 2.730 20 30 CFEDMN C=CC[C@@H]1CCCC[C@@H]1NC(=O)N[C@@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000660858004 413619219 /nfs/dbraw/zinc/61/92/19/413619219.db2.gz AMAAJMCWTSLZCU-FPCVCCKLSA-N 0 1 293.455 2.903 20 30 CFEDMN C=CCCNCc1c(F)cncc1Br ZINC000657583888 413768566 /nfs/dbraw/zinc/76/85/66/413768566.db2.gz SIHOUMUVLSQIIR-UHFFFAOYSA-N 0 1 259.122 2.649 20 30 CFEDMN C#CCN[C@H](CCO)c1ccc(Cl)c(Cl)c1 ZINC000285495962 196304353 /nfs/dbraw/zinc/30/43/53/196304353.db2.gz IYTDFGMIISPARW-GFCCVEGCSA-N 0 1 258.148 2.640 20 30 CFEDMN C=CCN(Cc1cnc(OC)c(Cl)c1)[C@@H](C)COC ZINC000661239315 413842552 /nfs/dbraw/zinc/84/25/52/413842552.db2.gz FJIGKBJATHKTMR-NSHDSACASA-N 0 1 284.787 2.767 20 30 CFEDMN C=CCN(CCC(=O)c1ccc(F)cc1)[C@@H](C)COC ZINC000661238951 413842891 /nfs/dbraw/zinc/84/28/91/413842891.db2.gz AKVLTKNQVDAFKT-ZDUSSCGKSA-N 0 1 279.355 2.921 20 30 CFEDMN C=CCN(Cc1ncc(C)c(OC)c1C)[C@@H](C)COC ZINC000661242843 413845747 /nfs/dbraw/zinc/84/57/47/413845747.db2.gz GHKXUYLFHRBVHK-ZDUSSCGKSA-N 0 1 278.396 2.730 20 30 CFEDMN C=CC[C@H]1CCC[N@@H+]([C@@H](C)c2nc(C)cc(=O)[n-]2)C1 ZINC000661385377 413940830 /nfs/dbraw/zinc/94/08/30/413940830.db2.gz NZRGLRZVULMDIL-STQMWFEESA-N 0 1 261.369 2.840 20 30 CFEDMN C=CC[C@H]1CCC[N@H+]([C@@H](C)c2nc(C)cc(=O)[n-]2)C1 ZINC000661385377 413940841 /nfs/dbraw/zinc/94/08/41/413940841.db2.gz NZRGLRZVULMDIL-STQMWFEESA-N 0 1 261.369 2.840 20 30 CFEDMN C=CC[C@H]1CCCN(Cc2nc3ccccc3c(=O)n2C)C1 ZINC000661382411 413940892 /nfs/dbraw/zinc/94/08/92/413940892.db2.gz VSTYGLOZGPEIHG-AWEZNQCLSA-N 0 1 297.402 2.722 20 30 CFEDMN C=CC[C@@H]1CCCN(Cc2nc3ccccc3c(=O)n2C)C1 ZINC000661382412 413944008 /nfs/dbraw/zinc/94/40/08/413944008.db2.gz VSTYGLOZGPEIHG-CQSZACIVSA-N 0 1 297.402 2.722 20 30 CFEDMN C=CC[C@@H]1CCCC[C@H]1NC(=O)N(C)Cc1cnc[nH]1 ZINC000661415649 413965909 /nfs/dbraw/zinc/96/59/09/413965909.db2.gz CRJMEPNJNWOPKI-TZMCWYRMSA-N 0 1 276.384 2.686 20 30 CFEDMN Cc1cc(C(C#N)C(=O)c2ccn(C(C)(C)C)n2)nc(C)n1 ZINC000654969811 414043550 /nfs/dbraw/zinc/04/35/50/414043550.db2.gz INUNJHNWDOVZSZ-GFCCVEGCSA-N 0 1 297.362 2.535 20 30 CFEDMN Cc1cc([C@@H](C#N)C(=O)c2ccn(C(C)(C)C)n2)nc(C)n1 ZINC000654969811 414043561 /nfs/dbraw/zinc/04/35/61/414043561.db2.gz INUNJHNWDOVZSZ-GFCCVEGCSA-N 0 1 297.362 2.535 20 30 CFEDMN Cn1nccc1C1=CCN(Cc2ccc(C#N)cc2)CC1 ZINC000285687968 196367071 /nfs/dbraw/zinc/36/70/71/196367071.db2.gz RMUMMGXPRBOXBN-UHFFFAOYSA-N 0 1 278.359 2.581 20 30 CFEDMN CC(C)CONC(=O)C(C)(C)c1cc(F)cc(C#N)c1 ZINC000285764464 196391983 /nfs/dbraw/zinc/39/19/83/196391983.db2.gz MSPYZWLFZSJEII-UHFFFAOYSA-N 0 1 278.327 2.679 20 30 CFEDMN C=CC[C@@H]1CCCC[C@H]1[NH2+]Cc1nnc([C@@H]2CCCO2)[n-]1 ZINC000658046116 414131268 /nfs/dbraw/zinc/13/12/68/414131268.db2.gz KFEIHFJOPYGZHK-MCIONIFRSA-N 0 1 290.411 2.881 20 30 CFEDMN C=C[C@](C)(CCOC)C(=O)N1CCN(C(C)(C)CC)CC1 ZINC000655271312 414162736 /nfs/dbraw/zinc/16/27/36/414162736.db2.gz XZMZUWQGWQUGNX-QGZVFWFLSA-N 0 1 296.455 2.548 20 30 CFEDMN O[C@]12C[C@H]1C[N@@H+](CC#Cc1ccc(C(F)(F)F)cc1)CC2 ZINC000661717029 414171758 /nfs/dbraw/zinc/17/17/58/414171758.db2.gz MOZSIEBGUURFSH-LSDHHAIUSA-N 0 1 295.304 2.514 20 30 CFEDMN O[C@]12C[C@H]1CN(CC#Cc1ccc(C(F)(F)F)cc1)CC2 ZINC000661717029 414171762 /nfs/dbraw/zinc/17/17/62/414171762.db2.gz MOZSIEBGUURFSH-LSDHHAIUSA-N 0 1 295.304 2.514 20 30 CFEDMN C=CCN(Cc1n[nH]c(C(C)(C)C)n1)C(C)(C)C ZINC000661757070 414192884 /nfs/dbraw/zinc/19/28/84/414192884.db2.gz DBLFBGPZWTVGPV-UHFFFAOYSA-N 0 1 250.390 2.889 20 30 CFEDMN C=CCC[C@@H](NCC1(S(=O)(=O)CC)CC1)c1ccco1 ZINC000658303011 414361094 /nfs/dbraw/zinc/36/10/94/414361094.db2.gz UACWUMZUYYCYMN-CYBMUJFWSA-N 0 1 297.420 2.844 20 30 CFEDMN C=CCCCN1C[C@@H](C)O[C@@H](CC(F)(F)F)C1 ZINC000662242805 414471638 /nfs/dbraw/zinc/47/16/38/414471638.db2.gz PLUYAXUUWVOGKH-MNOVXSKESA-N 0 1 251.292 2.994 20 30 CFEDMN C=C1C[C@H]2CC[C@@H](C1)N2[C@@H](C(N)=O)c1ccc(F)cc1 ZINC000662086772 414403447 /nfs/dbraw/zinc/40/34/47/414403447.db2.gz XQPPXHIDGDBFBT-QLFBSQMISA-N 0 1 274.339 2.535 20 30 CFEDMN C=CCOc1cccc(C[N@H+](CC(=O)[O-])C2CCC2)c1 ZINC000656100118 414512135 /nfs/dbraw/zinc/51/21/35/414512135.db2.gz DYOCKCBIZVLWJY-UHFFFAOYSA-N 0 1 275.348 2.691 20 30 CFEDMN C=CC[C@]1(C(=O)Nc2ccc(Cl)cc2[O-])CCC[NH2+]1 ZINC000662787222 414609097 /nfs/dbraw/zinc/60/90/97/414609097.db2.gz JIWOZXKBARBIEI-CQSZACIVSA-N 0 1 280.755 2.682 20 30 CFEDMN C=CC[C@H]1CCCC[C@H]1NC(=O)c1cc(C(C)(C)N)no1 ZINC000662842292 414619207 /nfs/dbraw/zinc/61/92/07/414619207.db2.gz MKLOIFNDNXMZGY-NWDGAFQWSA-N 0 1 291.395 2.733 20 30 CFEDMN C[C@H](NCC1(C#N)CC1)c1cccc(-n2cccn2)c1 ZINC000343564817 224799353 /nfs/dbraw/zinc/79/93/53/224799353.db2.gz PJWVEKYQHUIWEY-ZDUSSCGKSA-N 0 1 266.348 2.827 20 30 CFEDMN Cc1ccc(C=Cc2n[nH]c(S[C@H](C)C#N)n2)o1 ZINC000344253785 225006672 /nfs/dbraw/zinc/00/66/72/225006672.db2.gz ITPKOCVPHOVXOZ-SSJHQANKSA-N 0 1 260.322 2.881 20 30 CFEDMN C[C@H](NCCCCC#N)c1nc(C(C)(C)C)no1 ZINC000171715190 335075653 /nfs/dbraw/zinc/07/56/53/335075653.db2.gz OGQIIDQJXANYIN-JTQLQIEISA-N 0 1 250.346 2.712 20 30 CFEDMN Cc1n[nH]c(C(=O)N[C@H](C#N)c2ccc(Cl)cc2)c1C ZINC000336627947 227221363 /nfs/dbraw/zinc/22/13/63/227221363.db2.gz VQDRUPKPDMZICG-GFCCVEGCSA-N 0 1 288.738 2.675 20 30 CFEDMN C[C@@]1(NC(=O)Cc2[nH]nc3ccccc32)CCCOC1 ZINC000329168386 227337167 /nfs/dbraw/zinc/33/71/67/227337167.db2.gz JBFOHCBPYVMXDX-OAHLLOKOSA-N 0 1 273.336 2.631 20 30 CFEDMN Cc1n[nH]c(C(F)F)c1NC(=O)C[C@H]1CCOC1 ZINC000329273980 227399505 /nfs/dbraw/zinc/39/95/05/227399505.db2.gz JDZVBXUCEHSSQX-SSDOTTSWSA-N 0 1 259.256 2.670 20 30 CFEDMN Cc1cc(-n2ccnc2)ccc1CN[C@@H]1CCC[C@@H]1C#N ZINC000331665794 228117926 /nfs/dbraw/zinc/11/79/26/228117926.db2.gz OJSWOHFIQORMIN-RHSMWYFYSA-N 0 1 280.375 2.963 20 30 CFEDMN CCc1noc(C)c1C(=O)N[C@H]1CCCc2cn[nH]c21 ZINC000330164184 228054286 /nfs/dbraw/zinc/05/42/86/228054286.db2.gz VVOYHKDTNVJDRX-NSHDSACASA-N 0 1 274.324 2.651 20 30 CFEDMN O=C(NCc1nc2ccccc2[nH]1)[C@@H]1CCCN1C1CC1 ZINC000330232464 228074113 /nfs/dbraw/zinc/07/41/13/228074113.db2.gz XJYVEZJFAMIWQQ-AWEZNQCLSA-N 0 1 284.363 2.646 20 30 CFEDMN O=C(NCC1(CCO)CCCCC1)[C@@H]1CCCN1C1CC1 ZINC000330248674 228079684 /nfs/dbraw/zinc/07/96/84/228079684.db2.gz ZKBHXJXTIMBJRA-HNNXBMFYSA-N 0 1 294.439 2.903 20 30 CFEDMN Cc1ccc(NC(=O)c2c[nH]nc2[C@H]2CCOC2)cc1F ZINC000330353577 228163901 /nfs/dbraw/zinc/16/39/01/228163901.db2.gz OQGBZRFAQDPUPA-JTQLQIEISA-N 0 1 289.310 2.997 20 30 CFEDMN CN(Cc1cnn2ccccc12)Cc1cccc(C#N)c1 ZINC000180048695 260090861 /nfs/dbraw/zinc/09/08/61/260090861.db2.gz SCQUEPKTVDNKAC-UHFFFAOYSA-N 0 1 276.343 2.838 20 30 CFEDMN CCCN(CC#N)C(=O)c1cc(-c2ccc(F)cc2)[nH]n1 ZINC000056485213 260223231 /nfs/dbraw/zinc/22/32/31/260223231.db2.gz XFFWLSHBMCOHTF-UHFFFAOYSA-N 0 1 286.310 2.592 20 30 CFEDMN CC[C@@H](C#N)S(=O)(=O)Nc1cccc2ccccc21 ZINC000088474729 260232791 /nfs/dbraw/zinc/23/27/91/260232791.db2.gz OCQOEOBLKUHBKD-LBPRGKRZSA-N 0 1 274.345 2.884 20 30 CFEDMN O=C(Nc1nc(-c2ccccc2Cl)n[nH]1)[C@@H]1CCCO1 ZINC000076365757 260293148 /nfs/dbraw/zinc/29/31/48/260293148.db2.gz JGCWNDUPFCIPCP-JTQLQIEISA-N 0 1 292.726 2.892 20 30 CFEDMN CCOC[C@H]1CCCCN1Cc1ccccc1C#N ZINC000313465872 260296485 /nfs/dbraw/zinc/29/64/85/260296485.db2.gz DURRCYHZJJDKIK-MRXNPFEDSA-N 0 1 258.365 2.949 20 30 CFEDMN CCSCCN1CCN([C@@H](C#N)c2ccccc2)CC1 ZINC000080908051 260325328 /nfs/dbraw/zinc/32/53/28/260325328.db2.gz SHIBASGDAKRTAA-INIZCTEOSA-N 0 1 289.448 2.622 20 30 CFEDMN Cc1cccc2nc(CCC(=O)NCCCCC#N)[nH]c21 ZINC000176245111 261272952 /nfs/dbraw/zinc/27/29/52/261272952.db2.gz GMZTVZDNHCYSEM-UHFFFAOYSA-N 0 1 284.363 2.614 20 30 CFEDMN N#CCCCN1CCCC[C@H]1COC(=O)N1CCCCC1 ZINC000367628375 262022313 /nfs/dbraw/zinc/02/23/13/262022313.db2.gz WNMWEHAWKCOOJO-HNNXBMFYSA-N 0 1 293.411 2.767 20 30 CFEDMN N#C[C@H](c1ccccc1)N1CCN(C[C@@H]2CCC=CO2)CC1 ZINC000191057137 262188707 /nfs/dbraw/zinc/18/87/07/262188707.db2.gz XZOCSGRMTYDSDU-ZWKOTPCHSA-N 0 1 297.402 2.562 20 30 CFEDMN C=CCN(CC=C)C(=O)[C@H]1CCc2[nH]c(C(C)C)nc2C1 ZINC000364382383 262223093 /nfs/dbraw/zinc/22/30/93/262223093.db2.gz GZIZDNVTQWNFCY-ZDUSSCGKSA-N 0 1 287.407 2.839 20 30 CFEDMN N#CCCCCSc1nc(-c2ccccc2O)n[nH]1 ZINC000194587152 262239653 /nfs/dbraw/zinc/23/96/53/262239653.db2.gz DOQGOQJHMXJSPR-UHFFFAOYSA-N 0 1 274.349 2.963 20 30 CFEDMN CC[C@H](C#N)Sc1nc(-c2ccccc2O)n[nH]1 ZINC000194585817 262239698 /nfs/dbraw/zinc/23/96/98/262239698.db2.gz KIVJKQIDCBFXIW-MRVPVSSYSA-N 0 1 260.322 2.572 20 30 CFEDMN C=CC1CCN(CC(=O)N[C@@H](C)c2ccc(F)cc2)CC1 ZINC000111257797 262258041 /nfs/dbraw/zinc/25/80/41/262258041.db2.gz BRHLRUDMFDFJSY-ZDUSSCGKSA-N 0 1 290.382 2.901 20 30 CFEDMN C=CC1CCN(CC(=O)N2CCCc3ccccc32)CC1 ZINC000111257291 262258385 /nfs/dbraw/zinc/25/83/85/262258385.db2.gz WYDVSJQHQQFBMW-UHFFFAOYSA-N 0 1 284.403 2.864 20 30 CFEDMN Cc1nn(C)cc1[C@@H]1CCCN1CC#Cc1ccccc1 ZINC000365270373 262356905 /nfs/dbraw/zinc/35/69/05/262356905.db2.gz VXMQEIHWRHACSW-SFHVURJKSA-N 0 1 279.387 2.917 20 30 CFEDMN C(#Cc1ccccc1)CN1CCC[C@H](c2ccncn2)C1 ZINC000365269443 262356922 /nfs/dbraw/zinc/35/69/22/262356922.db2.gz QTXMDXCXMRRLFM-KRWDZBQOSA-N 0 1 277.371 2.708 20 30 CFEDMN C(#Cc1ccccc1)CN1CCC(c2cn[nH]c2)CC1 ZINC000365272022 262356979 /nfs/dbraw/zinc/35/69/79/262356979.db2.gz WTOFULJPZBOWOU-UHFFFAOYSA-N 0 1 265.360 2.641 20 30 CFEDMN C[C@H](O)CCN1CCC[C@H]1[C@H](C#N)c1ccccc1 ZINC000336804962 262395476 /nfs/dbraw/zinc/39/54/76/262395476.db2.gz OPKXMZIVFAJROX-IMJJTQAJSA-N 0 1 258.365 2.529 20 30 CFEDMN C=CCCc1ccccc1NC(=O)N[C@H](C)c1nnc[nH]1 ZINC000337588851 262462204 /nfs/dbraw/zinc/46/22/04/262462204.db2.gz GPIIHTZQGDFTRV-LLVKDONJSA-N 0 1 285.351 2.806 20 30 CFEDMN C=CCCC[C@H](C)NC(=O)c1ccc2cncn2c1 ZINC000340005310 262730656 /nfs/dbraw/zinc/73/06/56/262730656.db2.gz VLHHIJDTMMNAPP-LBPRGKRZSA-N 0 1 257.337 2.809 20 30 CFEDMN COc1ccsc1CN1CCC(C)(C#N)CC1 ZINC000272561333 263006832 /nfs/dbraw/zinc/00/68/32/263006832.db2.gz UBRWEFKTSKJGCN-UHFFFAOYSA-N 0 1 250.367 2.882 20 30 CFEDMN COc1cc(O)c(CN2CCC(C)(C#N)CC2)cc1OC ZINC000272578336 263006970 /nfs/dbraw/zinc/00/69/70/263006970.db2.gz XSENYFGNNDQGCR-UHFFFAOYSA-N 0 1 290.363 2.535 20 30 CFEDMN CN(CCC#N)[C@H]1CCO[C@@H](c2ccc(F)cc2)C1 ZINC000273368411 263016171 /nfs/dbraw/zinc/01/61/71/263016171.db2.gz BPJRREDNAGWEKJ-LSDHHAIUSA-N 0 1 262.328 2.891 20 30 CFEDMN CC[C@@H](C)c1nc([C@H](C)NC(=O)C2(C#N)CCCC2)n[nH]1 ZINC000277180619 263040112 /nfs/dbraw/zinc/04/01/12/263040112.db2.gz YZSGGWPGEUUMAZ-MNOVXSKESA-N 0 1 289.383 2.579 20 30 CFEDMN CC1(C)CCCN(C(=O)c2c(O)cccc2F)[C@@H]1C#N ZINC000277616184 263042440 /nfs/dbraw/zinc/04/24/40/263042440.db2.gz VTAGEXBNJGHTTC-GFCCVEGCSA-N 0 1 276.311 2.686 20 30 CFEDMN CCN(CC)[C@H](CNC(=O)CC(C)(C)C#N)c1ccco1 ZINC000279361181 263054991 /nfs/dbraw/zinc/05/49/91/263054991.db2.gz WHUAFISIRANOJF-CYBMUJFWSA-N 0 1 291.395 2.719 20 30 CFEDMN CN1CCN(C(=O)c2ccc(C(C)(C)C#N)cc2)C(C)(C)C1 ZINC000281094999 263066500 /nfs/dbraw/zinc/06/65/00/263066500.db2.gz GFCWNVDETKOINV-UHFFFAOYSA-N 0 1 299.418 2.654 20 30 CFEDMN Cn1nccc1[C@@H]1CCCCN1CCC(C)(C)C#N ZINC000281466547 263069328 /nfs/dbraw/zinc/06/93/28/263069328.db2.gz RMUONDZKQRQBRP-AWEZNQCLSA-N 0 1 260.385 2.887 20 30 CFEDMN N#CC1CCC(CNC(=O)c2ccc(F)cc2O)CC1 ZINC000282146393 263074759 /nfs/dbraw/zinc/07/47/59/263074759.db2.gz CKXVUHIEUTUUAT-UHFFFAOYSA-N 0 1 276.311 2.591 20 30 CFEDMN CCc1ccc([C@H](COC)N[C@@H]2CC[C@@H](C#N)C2)o1 ZINC000282438765 263076819 /nfs/dbraw/zinc/07/68/19/263076819.db2.gz UIKVQPLZGAFXOS-BZPMIXESSA-N 0 1 262.353 2.811 20 30 CFEDMN CCN(CC)[C@@H](CNC(=O)[C@@](C)(C#N)CC)c1ccco1 ZINC000285255217 263091635 /nfs/dbraw/zinc/09/16/35/263091635.db2.gz XHJLJSVKHFYDBG-XJKSGUPXSA-N 0 1 291.395 2.719 20 30 CFEDMN CCc1ccc([C@H](C#N)NC(=O)c2[nH]nc(C)c2C)cc1 ZINC000293207254 263138653 /nfs/dbraw/zinc/13/86/53/263138653.db2.gz FATUDAMIMUBCRP-AWEZNQCLSA-N 0 1 282.347 2.584 20 30 CFEDMN N#CCCOCCN1CCC(C(=O)c2ccccc2)CC1 ZINC000293345701 263139428 /nfs/dbraw/zinc/13/94/28/263139428.db2.gz DKIJCHVYANBDSV-UHFFFAOYSA-N 0 1 286.375 2.512 20 30 CFEDMN CN(Cc1cn(C)nc1C(F)(F)F)[C@H]1CC[C@H](C#N)C1 ZINC000293886982 263151872 /nfs/dbraw/zinc/15/18/72/263151872.db2.gz UQHGODAZVFBILT-ONGXEEELSA-N 0 1 286.301 2.563 20 30 CFEDMN N#C[C@@H]1CC[C@H](N2CCC[C@H](Oc3ncccc3F)C2)C1 ZINC000293947175 263153194 /nfs/dbraw/zinc/15/31/94/263153194.db2.gz BMWUZIXMHPLHKE-RDBSUJKOSA-N 0 1 289.354 2.756 20 30 CFEDMN COc1ccccc1CN1CCN([C@@H](C)CCC#N)CC1 ZINC000298142816 263215567 /nfs/dbraw/zinc/21/55/67/263215567.db2.gz OJSGIQDFPFVIOA-HNNXBMFYSA-N 0 1 287.407 2.505 20 30 CFEDMN CCC(N)=NOCc1cccc(C(=O)N2CCCCC2)c1 ZINC000299335403 263239972 /nfs/dbraw/zinc/23/99/72/263239972.db2.gz MHKNOQZRMSFAKD-UHFFFAOYSA-N 0 1 289.379 2.512 20 30 CFEDMN C=CCCC[C@@H](C)N1CCN(C(=O)c2ccccn2)CC1 ZINC000340865384 263309793 /nfs/dbraw/zinc/30/97/93/263309793.db2.gz DPXCLTPRLQSTAS-OAHLLOKOSA-N 0 1 287.407 2.584 20 30 CFEDMN COCC1(C#N)CCN(Cc2cc(C)ccc2OC)CC1 ZINC000341996149 263373674 /nfs/dbraw/zinc/37/36/74/263373674.db2.gz SHOBPANAHLPBTA-UHFFFAOYSA-N 0 1 288.391 2.756 20 30 CFEDMN C#Cc1ccc(NC(=O)N2C[C@H](C)N(CC)C[C@H]2C)cc1 ZINC000934932363 649857097 /nfs/dbraw/zinc/85/70/97/649857097.db2.gz GJWMCJFHMJUIMY-UONOGXRCSA-N 0 1 285.391 2.614 20 30 CFEDMN CC[C@]1(C)CCCN([C@@H](C)C(=O)N[C@](C)(C#N)C(C)C)C1 ZINC000330925291 264094865 /nfs/dbraw/zinc/09/48/65/264094865.db2.gz GYMNLLLXBYOBST-USXIJHARSA-N 0 1 293.455 2.941 20 30 CFEDMN CC(C)(C)CCNC(=O)N[C@@H]1CCCc2cn[nH]c21 ZINC000331118016 264129715 /nfs/dbraw/zinc/12/97/15/264129715.db2.gz NCCGKZHJAJKHJT-LLVKDONJSA-N 0 1 264.373 2.727 20 30 CFEDMN CCC[C@@H](NC(=O)N(C)Cc1nnc[nH]1)C1CCCCC1 ZINC000331300857 264199650 /nfs/dbraw/zinc/19/96/50/264199650.db2.gz AAEOVKCPWIGAII-CYBMUJFWSA-N 0 1 293.415 2.900 20 30 CFEDMN C=CCN(CC=C)C(=O)CN(C)CC1(c2ccccc2)CC1 ZINC000189303204 264287431 /nfs/dbraw/zinc/28/74/31/264287431.db2.gz ZCNYEDOOOUDSET-UHFFFAOYSA-N 0 1 298.430 2.851 20 30 CFEDMN COC(=O)[C@H](CCN[C@@H]1CCC[C@@H]1C#N)c1ccccc1 ZINC000425461594 264334105 /nfs/dbraw/zinc/33/41/05/264334105.db2.gz VBWBENHWGDIDIB-BZUAXINKSA-N 0 1 286.375 2.615 20 30 CFEDMN C[C@H](O)[C@@H]1CCCN(Cc2ccc(C#N)cc2Cl)C1 ZINC000525893741 266003296 /nfs/dbraw/zinc/00/32/96/266003296.db2.gz KNNFTLSQWKAMOJ-WCQYABFASA-N 0 1 278.783 2.804 20 30 CFEDMN C=CCOc1ccccc1CNCc1c[nH]c2nccnc12 ZINC000356191151 266067656 /nfs/dbraw/zinc/06/76/56/266067656.db2.gz IYAOJWOXAOOYSA-UHFFFAOYSA-N 0 1 294.358 2.764 20 30 CFEDMN CCN(CC(=O)N(C)CC1CC1)[C@@H](C)c1ccc(C#N)cc1 ZINC000193757782 266102946 /nfs/dbraw/zinc/10/29/46/266102946.db2.gz DUJDZBDIJDCVMS-AWEZNQCLSA-N 0 1 299.418 2.810 20 30 CFEDMN Cc1ccc(-c2cncc(C(=O)NC3=NO[C@@H](C)C3)c2)cc1 ZINC000367276527 266344400 /nfs/dbraw/zinc/34/44/00/266344400.db2.gz GFGUVYNZYNYXFH-LBPRGKRZSA-N 0 1 295.342 2.909 20 30 CFEDMN C=C(C)CN(C)[C@@H]1CCCN(CC(C)(C)C)C1=O ZINC000359594820 266603529 /nfs/dbraw/zinc/60/35/29/266603529.db2.gz DIEXIAYNHLMNAH-CYBMUJFWSA-N 0 1 252.402 2.531 20 30 CFEDMN C=C[C@@H](C)NC(=O)NC[C@H](c1ccco1)N1CCCCC1 ZINC000362656532 267030619 /nfs/dbraw/zinc/03/06/19/267030619.db2.gz RIRVUKJHIKPMTM-ZIAGYGMSSA-N 0 1 291.395 2.680 20 30 CFEDMN C#CCCCN1CC(=O)Nc2cccc3c2[C@@H]1CCC3 ZINC000367837747 267121215 /nfs/dbraw/zinc/12/12/15/267121215.db2.gz VLXMOYJBYWBMPT-HNNXBMFYSA-N 0 1 268.360 2.732 20 30 CFEDMN CN(C(=O)CN1C[C@H]2CCCC[C@H]21)C1(C#N)CCCCC1 ZINC000368082551 267145084 /nfs/dbraw/zinc/14/50/84/267145084.db2.gz WMNWPYMBLZPYGE-HUUCEWRRSA-N 0 1 289.423 2.546 20 30 CFEDMN C=C(Br)CN1CCCC[C@H](COC)C1 ZINC000368661485 267194889 /nfs/dbraw/zinc/19/48/89/267194889.db2.gz WFBAMGHOKDUUKL-NSHDSACASA-N 0 1 262.191 2.644 20 30 CFEDMN C[C@H]1CCN(Cc2ccccc2)CCN1C(=O)C(C)(C)C#N ZINC000368694966 267198874 /nfs/dbraw/zinc/19/88/74/267198874.db2.gz QCXNTSMFOXXQAC-HNNXBMFYSA-N 0 1 299.418 2.659 20 30 CFEDMN C[C@H]1CC(C)(C)C[C@@](CO)(NCc2nc(C#N)cs2)C1 ZINC000352842642 267209263 /nfs/dbraw/zinc/20/92/63/267209263.db2.gz VBUPAKJHFMPTHP-NHYWBVRUSA-N 0 1 293.436 2.682 20 30 CFEDMN C=CCCCCCN1CCOC[C@@H]1[C@@H]1CCCC1=O ZINC000369692833 267258904 /nfs/dbraw/zinc/25/89/04/267258904.db2.gz OUGKXQFYAJKSMG-LSDHHAIUSA-N 0 1 265.397 2.803 20 30 CFEDMN C=C(C)CN(CC)[C@H](C)C(=O)N1CCc2ccccc21 ZINC000120109588 267381971 /nfs/dbraw/zinc/38/19/71/267381971.db2.gz NOUJDRBLTFUQOU-CQSZACIVSA-N 0 1 272.392 2.862 20 30 CFEDMN N#Cc1ccc(C(=O)Nc2cccc3cc[nH]c32)cc1O ZINC000525952437 268205495 /nfs/dbraw/zinc/20/54/95/268205495.db2.gz HSGAZIPPGLFLTO-UHFFFAOYSA-N 0 1 277.283 2.997 20 30 CFEDMN N#Cc1ccc(CN2CC[C@H](CC(F)(F)F)C2)nc1 ZINC000515666245 268221937 /nfs/dbraw/zinc/22/19/37/268221937.db2.gz SHHYWSBPMIENQL-SNVBAGLBSA-N 0 1 269.270 2.728 20 30 CFEDMN N#Cc1ccc(C2(NCc3ccco3)CCOCC2)cc1 ZINC000527809686 268211974 /nfs/dbraw/zinc/21/19/74/268211974.db2.gz DZFJMVKRUBWLNJ-UHFFFAOYSA-N 0 1 282.343 2.947 20 30 CFEDMN N#Cc1ccc([C@H](C(N)=O)N2CCCC3(CCCC3)C2)cc1 ZINC000526084895 268263929 /nfs/dbraw/zinc/26/39/29/268263929.db2.gz YXCUGMJLLSECTL-MRXNPFEDSA-N 0 1 297.402 2.741 20 30 CFEDMN COc1ccc(CNCc2cccc(C#N)c2)cc1F ZINC000037501680 270225741 /nfs/dbraw/zinc/22/57/41/270225741.db2.gz CRHADVFHSRERJE-UHFFFAOYSA-N 0 1 270.307 2.996 20 30 CFEDMN CO[C@H]1CN(Cc2ccc(C#N)c(F)c2)CC[C@H]1C ZINC000192216118 270229618 /nfs/dbraw/zinc/22/96/18/270229618.db2.gz MYVHHEYXDFPVPZ-ABAIWWIYSA-N 0 1 262.328 2.554 20 30 CFEDMN C#CC[C@H](NCC(=O)N1C[C@@H](C)C[C@H](C)C1)c1ccccc1 ZINC000271693661 273479216 /nfs/dbraw/zinc/47/92/16/273479216.db2.gz LAYLUHOGNKSMMO-BQFCYCMXSA-N 0 1 298.430 2.845 20 30 CFEDMN C[C@@H]1CN(C)CCN1Cc1ccc(C#N)cc1C(F)(F)F ZINC000356219227 274333629 /nfs/dbraw/zinc/33/36/29/274333629.db2.gz GNGUQUXGQURSRE-LLVKDONJSA-N 0 1 297.324 2.713 20 30 CFEDMN C[C@@H]1CN(c2ccc(Cl)cc2C#N)C[C@H](C)N1C ZINC000135267096 274363569 /nfs/dbraw/zinc/36/35/69/274363569.db2.gz ATXDNHSYUJAYBF-PHIMTYICSA-N 0 1 263.772 2.740 20 30 CFEDMN N#Cc1cc(CN[C@@]2(CO)CCc3ccccc32)ccc1F ZINC000305697692 274919324 /nfs/dbraw/zinc/91/93/24/274919324.db2.gz ARGFEQQYBXWOQY-GOSISDBHSA-N 0 1 296.345 2.621 20 30 CFEDMN N#Cc1cc(F)c(N2CCN(C3CCCC3)CC2)c(F)c1 ZINC000068938253 274919550 /nfs/dbraw/zinc/91/95/50/274919550.db2.gz KZAXCYUGQAGJJB-UHFFFAOYSA-N 0 1 291.345 2.901 20 30 CFEDMN C#Cc1ccc(CN[C@H]2CCCc3c[nH]nc32)cc1 ZINC000290095063 275387998 /nfs/dbraw/zinc/38/79/98/275387998.db2.gz MZBQXNWNJJWVTL-HNNXBMFYSA-N 0 1 251.333 2.558 20 30 CFEDMN COc1nccc(CN[C@H]2CCCc3cc(C#N)ccc32)n1 ZINC000453261766 278092843 /nfs/dbraw/zinc/09/28/43/278092843.db2.gz YZIGICVHWFEKBD-INIZCTEOSA-N 0 1 294.358 2.524 20 30 CFEDMN C[C@@H](N[C@H](C)c1ccc(C#N)cc1)C(=O)N1CCCCCC1 ZINC000127552809 278378729 /nfs/dbraw/zinc/37/87/29/278378729.db2.gz NNVRAULYDIUJSQ-HUUCEWRRSA-N 0 1 299.418 3.000 20 30 CFEDMN C[C@@H]1C[C@H]2CCCC[C@H]2N1Cc1ncc(C#N)cn1 ZINC000331925393 279009935 /nfs/dbraw/zinc/00/99/35/279009935.db2.gz HXFVGHTVNBMXAM-MRVWCRGKSA-N 0 1 256.353 2.501 20 30 CFEDMN CC[C@@H]1CCCC[C@H]1[NH+]=C([O-])N1CCn2cncc2C1 ZINC000329735747 280266562 /nfs/dbraw/zinc/26/65/62/280266562.db2.gz SDVCEIMEZGQCFY-TZMCWYRMSA-N 0 1 276.384 2.582 20 30 CFEDMN COc1ccccc1CNCc1ccc(C#N)s1 ZINC000135665348 280776066 /nfs/dbraw/zinc/77/60/66/280776066.db2.gz MBSRSNDCESNGGF-UHFFFAOYSA-N 0 1 258.346 2.918 20 30 CFEDMN CC(C)[C@H]1CCN([C@H](C)C(=O)Nc2ccccc2C#N)C1 ZINC000252741113 281078107 /nfs/dbraw/zinc/07/81/07/281078107.db2.gz HYXMBPGFBRSAFU-HIFRSBDPSA-N 0 1 285.391 2.863 20 30 CFEDMN CN(Cc1ccc(C#N)cc1Cl)[C@@H]1CCCC[C@H]1O ZINC000252922986 281078977 /nfs/dbraw/zinc/07/89/77/281078977.db2.gz JEUOQDXPTUCHSM-HUUCEWRRSA-N 0 1 278.783 2.947 20 30 CFEDMN N#Cc1csc(CNc2cc3c(cn2)CCC3)n1 ZINC000559352399 282005414 /nfs/dbraw/zinc/00/54/14/282005414.db2.gz KNKJIEJTAODMOM-UHFFFAOYSA-N 0 1 256.334 2.511 20 30 CFEDMN Cc1ccccc1[C@H](CO)NCc1ccc(C#N)c(F)c1 ZINC000563582614 290160915 /nfs/dbraw/zinc/16/09/15/290160915.db2.gz ZQCWRLAMGMFCBH-KRWDZBQOSA-N 0 1 284.334 2.829 20 30 CFEDMN Cc1ccccc1[C@H](CO)NCc1ccc(C#N)c(C)c1 ZINC000563765289 290173075 /nfs/dbraw/zinc/17/30/75/290173075.db2.gz ZJFIOCYMOOSEIZ-SFHVURJKSA-N 0 1 280.371 2.998 20 30 CFEDMN Cc1ccccc1[C@@H](CO)NCc1ccc(C#N)c(C)c1 ZINC000563765281 290173173 /nfs/dbraw/zinc/17/31/73/290173173.db2.gz ZJFIOCYMOOSEIZ-GOSISDBHSA-N 0 1 280.371 2.998 20 30 CFEDMN CC(=Cc1ccccc1)c1nc(C)c(C#N)c(=O)[nH]1 ZINC000564156576 290194549 /nfs/dbraw/zinc/19/45/49/290194549.db2.gz WUNWWAFZYTZBSA-CSKARUKUSA-N 0 1 251.289 2.511 20 30 CFEDMN CCC[C@@H](C)[C@@H](CO)NCc1ccc(F)cc1C#N ZINC000566304233 290369374 /nfs/dbraw/zinc/36/93/74/290369374.db2.gz MKPJCUWRFNFSER-IAQYHMDHSA-N 0 1 264.344 2.584 20 30 CFEDMN N#Cc1c(Cl)nsc1N1CCCC[C@@H]1c1nnc[nH]1 ZINC000294879331 303175285 /nfs/dbraw/zinc/17/52/85/303175285.db2.gz FACPUKFNWMHOPG-MRVPVSSYSA-N 0 1 294.771 2.518 20 30 CFEDMN N#Cc1ccc(N2CCC[C@H](N3CCC34CCC4)C2=O)cc1 ZINC000334571254 303193445 /nfs/dbraw/zinc/19/34/45/303193445.db2.gz HBYFVUDWLCGBHG-INIZCTEOSA-N 0 1 295.386 2.682 20 30 CFEDMN COC[C@@H](N[C@H]1CCC[C@H](C#N)C1)c1ccc(C)o1 ZINC000192924753 327879099 /nfs/dbraw/zinc/87/90/99/327879099.db2.gz SEVYWNXIKLIEKO-MELADBBJSA-N 0 1 262.353 2.948 20 30 CFEDMN COC[C@@H](N[C@@H]1CCC[C@H](C#N)C1)c1ccc(C)o1 ZINC000192924725 327879190 /nfs/dbraw/zinc/87/91/90/327879190.db2.gz SEVYWNXIKLIEKO-BFHYXJOUSA-N 0 1 262.353 2.948 20 30 CFEDMN C=CCCC[N@H+](CC(=O)[O-])Cc1ccc(F)cc1 ZINC000563283571 328008321 /nfs/dbraw/zinc/00/83/21/328008321.db2.gz QSSVVTRKHQFETA-UHFFFAOYSA-N 0 1 251.301 2.679 20 30 CFEDMN CC[C@H](CC#N)NC(=O)[C@@H](CC)N(C)Cc1ccccc1 ZINC000339352630 328008465 /nfs/dbraw/zinc/00/84/65/328008465.db2.gz PKMNLQXEBFVYEV-HZPDHXFCSA-N 0 1 287.407 2.705 20 30 CFEDMN C=CC[N@@H+](CCOC[C@@H]1CCCO1)Cc1cccs1 ZINC000152108127 328069813 /nfs/dbraw/zinc/06/98/13/328069813.db2.gz MYFCJFFYDGXETP-AWEZNQCLSA-N 0 1 281.421 2.932 20 30 CFEDMN C=CCN(CCOC[C@@H]1CCCO1)Cc1cccs1 ZINC000152108127 328069815 /nfs/dbraw/zinc/06/98/15/328069815.db2.gz MYFCJFFYDGXETP-AWEZNQCLSA-N 0 1 281.421 2.932 20 30 CFEDMN CCOC(=O)c1cc(CN2CCC(CC#N)CC2)[nH]c1C ZINC000571509992 328129295 /nfs/dbraw/zinc/12/92/95/328129295.db2.gz YJJPRCWYRBQROB-UHFFFAOYSA-N 0 1 289.379 2.626 20 30 CFEDMN C[C@@H](CCC#N)N1CCC(n2c3ccccc3[nH]c2=O)CC1 ZINC000276359765 328217801 /nfs/dbraw/zinc/21/78/01/328217801.db2.gz YIDYNORLYCRWNV-ZDUSSCGKSA-N 0 1 298.390 2.659 20 30 CFEDMN Cc1cscc1NS(=O)(=O)c1cccc(C#N)c1 ZINC000161647480 322355486 /nfs/dbraw/zinc/35/54/86/322355486.db2.gz HYWXCWJITODLQK-UHFFFAOYSA-N 0 1 278.358 2.729 20 30 CFEDMN N#Cc1ccc(C(=O)Nc2cc(F)cc(F)c2)cc1O ZINC000188238083 324010845 /nfs/dbraw/zinc/01/08/45/324010845.db2.gz JQLHOQNGMJOZRU-UHFFFAOYSA-N 0 1 274.226 2.794 20 30 CFEDMN CN(C(=O)c1ccc(C#N)c(O)c1)c1ccc(F)c(F)c1 ZINC000188373060 324013877 /nfs/dbraw/zinc/01/38/77/324013877.db2.gz SKTOMGKLYPMOGH-UHFFFAOYSA-N 0 1 288.253 2.819 20 30 CFEDMN C[C@H]1CSCCN(Cc2cc(C#N)ccc2F)C1 ZINC000190401552 324040595 /nfs/dbraw/zinc/04/05/95/324040595.db2.gz VAQVSZFDVPNXIA-LLVKDONJSA-N 0 1 264.369 2.882 20 30 CFEDMN N#Cc1ccc(-c2nc(-c3ccc(O)c(F)c3)no2)o1 ZINC000350584347 324237527 /nfs/dbraw/zinc/23/75/27/324237527.db2.gz RZWQGKQFXAXVHT-UHFFFAOYSA-N 0 1 271.207 2.713 20 30 CFEDMN CSCCCN(C)Cc1ccc(C#N)cc1[N+](=O)[O-] ZINC000580556532 325045892 /nfs/dbraw/zinc/04/58/92/325045892.db2.gz UXEZANOXLGUAGP-UHFFFAOYSA-N 0 1 279.365 2.651 20 30 CFEDMN CCc1nc(CN[C@@H]2CCCCc3cc(C#N)ccc32)n[nH]1 ZINC000584274070 325342578 /nfs/dbraw/zinc/34/25/78/325342578.db2.gz HYLFWCKNQRJMNV-OAHLLOKOSA-N 0 1 295.390 2.796 20 30 CFEDMN C=C(C)CN[C@@H](CCSC)c1nnc2ccccn21 ZINC000184600382 328533239 /nfs/dbraw/zinc/53/32/39/328533239.db2.gz UMXJFCZDRCHLRW-LBPRGKRZSA-N 0 1 276.409 2.689 20 30 CFEDMN N#CCCC1CCN(Cc2cn3ccccc3n2)CC1 ZINC000399470087 326798963 /nfs/dbraw/zinc/79/89/63/326798963.db2.gz PLXAHHUVNZZQME-UHFFFAOYSA-N 0 1 268.364 2.850 20 30 CFEDMN Cc1ccccc1OCCCNC[C@@H](C#N)CCC#N ZINC000565887220 327078645 /nfs/dbraw/zinc/07/86/45/327078645.db2.gz HWGPUMUBCDXXTE-OAHLLOKOSA-N 0 1 271.364 2.797 20 30 CFEDMN C=CC1CCN(C(=O)NC[C@@H]2[N@@H+](C)CCCC2(C)C)CC1 ZINC000448035139 327296330 /nfs/dbraw/zinc/29/63/30/327296330.db2.gz NRHNLLJOLPTNHQ-HNNXBMFYSA-N 0 1 293.455 2.714 20 30 CFEDMN C=C[C@@H]1OCC[C@H]1N[C@H](C)c1nnn(-c2ccccc2)c1C ZINC000583363881 327322197 /nfs/dbraw/zinc/32/21/97/327322197.db2.gz FFNXYEQAVMAQQO-WQVCFCJDSA-N 0 1 298.390 2.570 20 30 CFEDMN C#C[C@@H](NC(=O)C(F)F)c1ccc(Cl)cc1F ZINC000491091931 332147832 /nfs/dbraw/zinc/14/78/32/332147832.db2.gz AHCMYUIYQCACNK-SECBINFHSA-N 0 1 261.630 2.535 20 30 CFEDMN C=C(C)CCN1CCN(C(=O)c2ccc(C)c(F)c2)CC1 ZINC000351860797 328733299 /nfs/dbraw/zinc/73/32/99/328733299.db2.gz YZJVUTDUAAUOPX-UHFFFAOYSA-N 0 1 290.382 2.858 20 30 CFEDMN CCCCCCC[N@H+]1CCC[C@H](c2n[nH]c(=O)[n-]2)C1 ZINC000377488017 329016381 /nfs/dbraw/zinc/01/63/81/329016381.db2.gz YOEVWXRYZMAKLE-LBPRGKRZSA-N 0 1 266.389 2.660 20 30 CFEDMN CC1=C[C@H](C)CN([C@@H](C)C(=O)NC2(C#N)CCCCC2)C1 ZINC000582709963 329133374 /nfs/dbraw/zinc/13/33/74/329133374.db2.gz ROXCYCWRTLSBNT-ZFWWWQNUSA-N 0 1 289.423 2.616 20 30 CFEDMN C=C(C)CN(C)CC(=O)N(C)Cc1ccc(SC)cc1 ZINC000181244687 329227755 /nfs/dbraw/zinc/22/77/55/329227755.db2.gz ZPZGQRDUQALSIA-UHFFFAOYSA-N 0 1 292.448 2.875 20 30 CFEDMN C=C(C)CN(C)[C@@H](C)C(=O)NCc1ccc(Cl)cc1 ZINC000181308594 329230646 /nfs/dbraw/zinc/23/06/46/329230646.db2.gz NCQYFRYHIKKVAV-LBPRGKRZSA-N 0 1 280.799 2.853 20 30 CFEDMN C=C(C)CN(C)[C@H]1CCN(c2ccc(Cl)cc2)C1=O ZINC000181315679 329231188 /nfs/dbraw/zinc/23/11/88/329231188.db2.gz HHVIAGUQUOQSSM-AWEZNQCLSA-N 0 1 278.783 2.953 20 30 CFEDMN C=C(C)CN(C)C(=O)c1cc(-c2ccccc2)[nH]n1 ZINC000183051319 329246603 /nfs/dbraw/zinc/24/66/03/329246603.db2.gz ZQXISXAMQQFHCB-UHFFFAOYSA-N 0 1 255.321 2.725 20 30 CFEDMN C[C@@H](C(=O)NC1(C#N)CCCCC1)N1CCCC2(CC2)C1 ZINC000186971243 329352544 /nfs/dbraw/zinc/35/25/44/329352544.db2.gz HOASHPIGUFQNGT-AWEZNQCLSA-N 0 1 289.423 2.594 20 30 CFEDMN N#CCCN(C[C@H](O)C1CCCCC1)CC1CC1 ZINC000190628784 329399927 /nfs/dbraw/zinc/39/99/27/329399927.db2.gz ZXGLNVZGHZBEBZ-HNNXBMFYSA-N 0 1 250.386 2.553 20 30 CFEDMN CC(C)n1cncc1CN1CCC(CCC#N)CC1 ZINC000572002383 329936409 /nfs/dbraw/zinc/93/64/09/329936409.db2.gz FIRNSJNCHNMRRG-UHFFFAOYSA-N 0 1 260.385 2.980 20 30 CFEDMN C=CCOc1ccc(-c2nc(C3(N)CCC3)no2)cc1 ZINC000261653117 329974756 /nfs/dbraw/zinc/97/47/56/329974756.db2.gz FCHMDVXOLQPIFD-UHFFFAOYSA-N 0 1 271.320 2.639 20 30 CFEDMN C=CCOc1cccc(C[N@@H+]2CCCC[C@@H]2C(=O)[O-])c1 ZINC000263437518 330055848 /nfs/dbraw/zinc/05/58/48/330055848.db2.gz VDVQCYWLWBKSBJ-OAHLLOKOSA-N 0 1 275.348 2.691 20 30 CFEDMN N#CC1(NC(=O)CN2CCCC3(CCCCC3)C2)CCC1 ZINC000527135964 330225765 /nfs/dbraw/zinc/22/57/65/330225765.db2.gz ZMAMWMNOQHYTGB-UHFFFAOYSA-N 0 1 289.423 2.595 20 30 CFEDMN C=CC[C@@H](CO)CN=c1nc(-c2ccccc2C)[nH]s1 ZINC000527947014 330294286 /nfs/dbraw/zinc/29/42/86/330294286.db2.gz NFABQYWXFULVIS-GFCCVEGCSA-N 0 1 289.404 2.532 20 30 CFEDMN C=CCC[C@@H](CO)N=c1nc(-c2ccccc2C)[nH]s1 ZINC000528031496 330305355 /nfs/dbraw/zinc/30/53/55/330305355.db2.gz VMMFFVTWUPBRRD-LBPRGKRZSA-N 0 1 289.404 2.674 20 30 CFEDMN CCn1nc(CN[C@@H]2CC[C@H](C#N)C2)c2ccccc21 ZINC000424197199 330325627 /nfs/dbraw/zinc/32/56/27/330325627.db2.gz NRJYQHAPWFFZEQ-QWHCGFSZSA-N 0 1 268.364 2.838 20 30 CFEDMN C=CCC[C@H](C)N[C@@H](C)c1ncc(C(=O)OC)s1 ZINC000424322693 330340451 /nfs/dbraw/zinc/34/04/51/330340451.db2.gz ILAHWABMKWELIR-UWVGGRQHSA-N 0 1 268.382 2.935 20 30 CFEDMN COc1cc([C@H](C)N[C@@H]2CC[C@H](C#N)C2)c(F)cn1 ZINC000424324832 330341092 /nfs/dbraw/zinc/34/10/92/330341092.db2.gz KGMHWUYRCIPZHX-GARJFASQSA-N 0 1 263.316 2.572 20 30 CFEDMN C=C[C@@H](CO)N[C@@H](C)c1ccc(OC)cc1Cl ZINC000424350374 330345319 /nfs/dbraw/zinc/34/53/19/330345319.db2.gz OHVYSDXHXVJLTR-UWVGGRQHSA-N 0 1 255.745 2.546 20 30 CFEDMN OCCC1CCN(CC#Cc2cccc(Cl)c2)CC1 ZINC000533325617 330357438 /nfs/dbraw/zinc/35/74/38/330357438.db2.gz VQCCPXBJQYTYHA-UHFFFAOYSA-N 0 1 277.795 2.786 20 30 CFEDMN C=C(CC)CN1CCC([C@@H](O)C(F)(F)F)CC1 ZINC000536894247 330362396 /nfs/dbraw/zinc/36/23/96/330362396.db2.gz SXKWCMFRUCXWPX-LLVKDONJSA-N 0 1 251.292 2.588 20 30 CFEDMN CC[C@H](C#N)S(=O)(=O)Nc1cc(Cl)ccc1F ZINC000088476000 330376673 /nfs/dbraw/zinc/37/66/73/330376673.db2.gz MPTGVUSBQWTXGD-MRVPVSSYSA-N 0 1 276.720 2.523 20 30 CFEDMN C=C[C@@H]1OCC[C@H]1NCc1coc(-c2ccccc2)n1 ZINC000449518367 330933184 /nfs/dbraw/zinc/93/31/84/330933184.db2.gz IZXFBLPTDYJWDN-CABCVRRESA-N 0 1 270.332 2.775 20 30 CFEDMN C=C[C@@H]1OCCC[C@H]1NCc1ccc([N+](=O)[O-])cc1F ZINC000449547639 330935445 /nfs/dbraw/zinc/93/54/45/330935445.db2.gz JFGIFUSUIDXHEU-KGLIPLIRSA-N 0 1 280.299 2.557 20 30 CFEDMN CC(C)(C#N)CCCC[N@H+]1CCCC[C@H]1c1n[nH]c(=O)[n-]1 ZINC000450986579 331010388 /nfs/dbraw/zinc/01/03/88/331010388.db2.gz PZPRANUWSBLPSS-LBPRGKRZSA-N 0 1 291.399 2.757 20 30 CFEDMN N#CC1(CN2CCC[C@H]2COc2ccccc2)CC1 ZINC000451317846 331024195 /nfs/dbraw/zinc/02/41/95/331024195.db2.gz WBPMBVWJYQQMEM-AWEZNQCLSA-N 0 1 256.349 2.834 20 30 CFEDMN C=C[C@@H]1OCC[C@H]1NCc1cc(F)ccc1Cl ZINC000451609168 331036666 /nfs/dbraw/zinc/03/66/66/331036666.db2.gz PHFBNXLHHAVIOS-OLZOCXBDSA-N 0 1 255.720 2.912 20 30 CFEDMN C=C[C@@H]1OCCC[C@H]1NCc1nc(C(F)(F)F)cs1 ZINC000451680485 331038867 /nfs/dbraw/zinc/03/88/67/331038867.db2.gz JLNAXQHWOIYMHC-BDAKNGLRSA-N 0 1 292.326 2.985 20 30 CFEDMN N#CCC[C@@H](C#N)CN1CCC[C@]2(CCSC2)C1 ZINC000451956451 331048242 /nfs/dbraw/zinc/04/82/42/331048242.db2.gz CWDGPGWULKNTOX-KBPBESRZSA-N 0 1 263.410 2.649 20 30 CFEDMN COC(=O)[C@@H]1CN(CC2(C#N)CCC2)C[C@@H]1c1ccccc1 ZINC000452011774 331050397 /nfs/dbraw/zinc/05/03/97/331050397.db2.gz XBYNBJXZUWUJFU-HZPDHXFCSA-N 0 1 298.386 2.569 20 30 CFEDMN CCCN(C)CC(=O)Nc1ccc(CC#N)cc1Cl ZINC000452644157 331070977 /nfs/dbraw/zinc/07/09/77/331070977.db2.gz KZQXXLLYYXSXID-UHFFFAOYSA-N 0 1 279.771 2.686 20 30 CFEDMN C=C(C)CCNC(=O)[C@@H](CC)N(C)Cc1ccccc1 ZINC000452715521 331072835 /nfs/dbraw/zinc/07/28/35/331072835.db2.gz DBTICJODCLEFNU-MRXNPFEDSA-N 0 1 274.408 2.979 20 30 CFEDMN Cc1nc(C(C)C)ccc1C(=O)C(C#N)c1ccncn1 ZINC000453757618 331138007 /nfs/dbraw/zinc/13/80/07/331138007.db2.gz WMAGHVJNSJTCFA-ZDUSSCGKSA-N 0 1 280.331 2.794 20 30 CFEDMN Cc1nc(C(C)C)ccc1C(=O)[C@@H](C#N)c1ccncn1 ZINC000453757618 331138008 /nfs/dbraw/zinc/13/80/08/331138008.db2.gz WMAGHVJNSJTCFA-ZDUSSCGKSA-N 0 1 280.331 2.794 20 30 CFEDMN C=C(C)CCNC(=O)NCc1ccc(F)c(CN(C)C)c1 ZINC000454514384 331147689 /nfs/dbraw/zinc/14/76/89/331147689.db2.gz NNPZJQJTCYDQLS-UHFFFAOYSA-N 0 1 293.386 2.653 20 30 CFEDMN C=C(CC)CNC(=O)N1CCC[C@H](c2cc(C)[nH]n2)C1 ZINC000455537262 331172551 /nfs/dbraw/zinc/17/25/51/331172551.db2.gz MITJNXAIMOGHHV-ZDUSSCGKSA-N 0 1 276.384 2.573 20 30 CFEDMN Cc1cc(C[C@@H](C)NC(=O)Nc2cccc(CC#N)c2)n[nH]1 ZINC000455906792 331180374 /nfs/dbraw/zinc/18/03/74/331180374.db2.gz OCLIRHMNNQHOBP-LLVKDONJSA-N 0 1 297.362 2.537 20 30 CFEDMN C=CCCOCCCCC(=O)N1CCN(CC)C[C@H]1CC ZINC000456373416 331191654 /nfs/dbraw/zinc/19/16/54/331191654.db2.gz IMEXSSMRFWSRLJ-MRXNPFEDSA-N 0 1 296.455 2.692 20 30 CFEDMN C=C(C)C[C@H](C)C(=O)NC[C@H](c1nc[nH]n1)c1ccccc1 ZINC000456686206 331198820 /nfs/dbraw/zinc/19/88/20/331198820.db2.gz IRKCBNLESXPPPW-ZFWWWQNUSA-N 0 1 298.390 2.655 20 30 CFEDMN C=C[C@](C)(CC)C(=O)NC[C@@H](c1nc[nH]n1)c1ccccc1 ZINC000456690967 331198933 /nfs/dbraw/zinc/19/89/33/331198933.db2.gz LDKGXPGRWINYHY-RHSMWYFYSA-N 0 1 298.390 2.655 20 30 CFEDMN C=C[C@](C)(CC)C(=O)NC[C@H](c1nc[nH]n1)c1ccccc1 ZINC000456690968 331198969 /nfs/dbraw/zinc/19/89/69/331198969.db2.gz LDKGXPGRWINYHY-WMLDXEAASA-N 0 1 298.390 2.655 20 30 CFEDMN C=C(CC)CNC(=O)[C@@H](CC)N(C)Cc1ccccc1 ZINC000456811364 331204862 /nfs/dbraw/zinc/20/48/62/331204862.db2.gz JAEJTUNVWFBQRZ-MRXNPFEDSA-N 0 1 274.408 2.979 20 30 CFEDMN C[C@H](C(=O)NCC(C)(C)CC#N)N(C)Cc1ccccc1 ZINC000457994408 331239805 /nfs/dbraw/zinc/23/98/05/331239805.db2.gz OEGISXBWFPSSEW-CQSZACIVSA-N 0 1 287.407 2.563 20 30 CFEDMN C=CCCC[C@@H](C)NC(=O)N1CCN(CC)C[C@H]1CC ZINC000458619981 331254428 /nfs/dbraw/zinc/25/44/28/331254428.db2.gz NBWGMQABUBXMBX-HUUCEWRRSA-N 0 1 281.444 2.857 20 30 CFEDMN C=CC(C)(C)CNC(=O)N1CCC(c2cnc[nH]2)CC1 ZINC000458983309 331263731 /nfs/dbraw/zinc/26/37/31/331263731.db2.gz CNJXAMGGNXGXSH-UHFFFAOYSA-N 0 1 276.384 2.511 20 30 CFEDMN C[C@@H](CN(C)CC#Cc1ccccc1)C(=O)OC(C)(C)C ZINC000459830907 331302266 /nfs/dbraw/zinc/30/22/66/331302266.db2.gz RGKOJXFAUAYDCC-HNNXBMFYSA-N 0 1 287.403 2.948 20 30 CFEDMN CC#CCCN1CCN(Cc2ccc(CC)s2)CC1 ZINC000462313221 331319132 /nfs/dbraw/zinc/31/91/32/331319132.db2.gz IVWBXIZFFYJYKA-UHFFFAOYSA-N 0 1 276.449 2.842 20 30 CFEDMN CC#CCCN1C[C@@H](C2CCCCC2)C[C@H]1C(=O)OC ZINC000462317150 331319388 /nfs/dbraw/zinc/31/93/88/331319388.db2.gz PNBMSTRKMHMVPA-HOTGVXAUSA-N 0 1 277.408 2.844 20 30 CFEDMN CC#CCSc1nc(-c2cc(F)cc(F)c2)n[nH]1 ZINC000463078553 331339785 /nfs/dbraw/zinc/33/97/85/331339785.db2.gz RASLMMZZDZBFGX-UHFFFAOYSA-N 0 1 265.288 2.865 20 30 CFEDMN CCc1ccc([C@H](CO)NCC#Cc2ccccc2)cc1 ZINC000483710463 331882641 /nfs/dbraw/zinc/88/26/41/331882641.db2.gz LZOGCWITIPQHBE-IBGZPJMESA-N 0 1 279.383 2.924 20 30 CFEDMN C=C[C@@H]1CCCCN1CC(=O)N1C[C@@H](C)C[C@H](C)C1 ZINC000489432564 332052020 /nfs/dbraw/zinc/05/20/20/332052020.db2.gz GHJPMSLYTSWZSB-SOUVJXGZSA-N 0 1 264.413 2.531 20 30 CFEDMN C=C[C@H]1CCCCN1CC(=O)N1CCc2ccccc2C1 ZINC000489450385 332053453 /nfs/dbraw/zinc/05/34/53/332053453.db2.gz WOMLYOJRLQTXHJ-KRWDZBQOSA-N 0 1 284.403 2.612 20 30 CFEDMN C=C[C@H]1CCCCN1CC(=O)N(C(C)C)C(C)C ZINC000489485716 332055636 /nfs/dbraw/zinc/05/56/36/332055636.db2.gz YAQMOWMFVPCBCR-AWEZNQCLSA-N 0 1 252.402 2.672 20 30 CFEDMN Cc1c(Cl)cccc1C(=O)C(C#N)c1ccncn1 ZINC000490944222 332131513 /nfs/dbraw/zinc/13/15/13/332131513.db2.gz UKKMZHJTVIMVGA-LLVKDONJSA-N 0 1 271.707 2.929 20 30 CFEDMN C#CCN(Cc1cc(F)cc2cccnc21)C1CC1 ZINC000491229229 332169921 /nfs/dbraw/zinc/16/99/21/332169921.db2.gz FZOUIHOCLQAUHD-UHFFFAOYSA-N 0 1 254.308 2.972 20 30 CFEDMN C#C[C@H](NC(=O)c1cccc2nc[nH]c21)c1ccc(F)cc1 ZINC000491316844 332189255 /nfs/dbraw/zinc/18/92/55/332189255.db2.gz YBSOMGIBXDEDNW-AWEZNQCLSA-N 0 1 293.301 2.806 20 30 CFEDMN C#C[C@H](C)N(C)Cc1nc(C(C)C)n2ccccc12 ZINC000491650624 332264410 /nfs/dbraw/zinc/26/44/10/332264410.db2.gz ASMRZGFHVZQEKP-ZDUSSCGKSA-N 0 1 255.365 2.911 20 30 CFEDMN C#CCN1CCC(C(=O)N(C(C)C)C2CC(C)(C)C2)CC1 ZINC000491667171 332275480 /nfs/dbraw/zinc/27/54/80/332275480.db2.gz HVDMWDVQWFVHQR-UHFFFAOYSA-N 0 1 290.451 2.757 20 30 CFEDMN C#CCN1CCC(C(=O)OCCCCC(C)(C)C#N)CC1 ZINC000491678691 332283138 /nfs/dbraw/zinc/28/31/38/332283138.db2.gz CANNQJKMQYAAPM-UHFFFAOYSA-N 0 1 290.407 2.595 20 30 CFEDMN C#CCN(C(=O)c1cc(-c2ccc(C)cc2C)[nH]n1)C1CC1 ZINC000491743763 332321824 /nfs/dbraw/zinc/32/18/24/332321824.db2.gz XXXNOQXEEIQOSZ-UHFFFAOYSA-N 0 1 293.370 2.931 20 30 CFEDMN C#CCN(Cc1ccccc1)Cc1ccc2c(c1)nnn2C ZINC000491754901 332329728 /nfs/dbraw/zinc/32/97/28/332329728.db2.gz WJPFMJWEHSPAGN-UHFFFAOYSA-N 0 1 290.370 2.604 20 30 CFEDMN C#C[C@H](CC)NCc1nc2cc(Cl)ccc2n1C ZINC000491804154 332358212 /nfs/dbraw/zinc/35/82/12/332358212.db2.gz KMWQJKIBRMOWCJ-LLVKDONJSA-N 0 1 261.756 2.728 20 30 CFEDMN C=C(C)CN1CCN(C/C=C\c2ccccc2)CC1 ZINC000501603258 332636640 /nfs/dbraw/zinc/63/66/40/332636640.db2.gz CSBIMVPOFVAANC-TWGQIWQCSA-N 0 1 256.393 2.894 20 30 CFEDMN C#CCN1CCC(C(=O)N2CCCC[C@H]2CCC)CC1 ZINC000183900657 333123314 /nfs/dbraw/zinc/12/33/14/333123314.db2.gz JCHNBMLSQPOPAX-MRXNPFEDSA-N 0 1 276.424 2.513 20 30 CFEDMN CCC1(CC)CN(CC(C)(C)CCC#N)CC[S@]1=O ZINC000187562466 333172247 /nfs/dbraw/zinc/17/22/47/333172247.db2.gz OGCNVTDVENIJMO-LJQANCHMSA-N 0 1 284.469 2.939 20 30 CFEDMN CC(C)(C)CN(CCC#N)C[C@H](O)CC(F)(F)F ZINC000189371759 333191232 /nfs/dbraw/zinc/19/12/32/333191232.db2.gz HIWGTLNJGFUVRS-SNVBAGLBSA-N 0 1 266.307 2.561 20 30 CFEDMN CCN(CCC(=O)Nc1ccccc1F)C[C@H](C)C#N ZINC000195435018 333253173 /nfs/dbraw/zinc/25/31/73/333253173.db2.gz XFFBEIBEOIVTTM-GFCCVEGCSA-N 0 1 277.343 2.636 20 30 CFEDMN C=CCCCCC[N@H+](CC)C[C@H](O)C(F)(F)F ZINC000193565787 333253368 /nfs/dbraw/zinc/25/33/68/333253368.db2.gz OQBRBCPSLYMNAQ-NSHDSACASA-N 0 1 253.308 2.978 20 30 CFEDMN C#C[C@H](CC)NCc1nc2ccccc2n1CCC ZINC000229894525 333311113 /nfs/dbraw/zinc/31/11/13/333311113.db2.gz YOAOKSMWNAKRKU-CYBMUJFWSA-N 0 1 255.365 2.948 20 30 CFEDMN C=CCCOCCNCc1ccc(OC)cc1F ZINC000231819809 333330231 /nfs/dbraw/zinc/33/02/31/333330231.db2.gz GQTOKNFITQEIGI-UHFFFAOYSA-N 0 1 253.317 2.517 20 30 CFEDMN C#C[C@@H](CCC)NC(=O)c1ccc(O)c(Cl)c1 ZINC000233295282 333350951 /nfs/dbraw/zinc/35/09/51/333350951.db2.gz CPQKBXFMRXTQNM-JTQLQIEISA-N 0 1 251.713 2.577 20 30 CFEDMN C#C[C@H](CCC)NC(=O)c1ccc(O)c(Cl)c1 ZINC000233358327 333351856 /nfs/dbraw/zinc/35/18/56/333351856.db2.gz CPQKBXFMRXTQNM-SNVBAGLBSA-N 0 1 251.713 2.577 20 30 CFEDMN C#CCN1CCC(C(=O)N2[C@H](C)C[C@H]3CCCC[C@@H]32)CC1 ZINC000124906817 333562255 /nfs/dbraw/zinc/56/22/55/333562255.db2.gz SLLNPVZAFMKUQX-OIISXLGYSA-N 0 1 288.435 2.511 20 30 CFEDMN C=C(CC)CN1CCC([C@@](C)(O)C(F)(F)F)CC1 ZINC000546639104 334042810 /nfs/dbraw/zinc/04/28/10/334042810.db2.gz NFYZWBQAUPGCKK-GFCCVEGCSA-N 0 1 265.319 2.978 20 30 CFEDMN C=CCCCNC(=O)c1cccc(Br)c1O ZINC000548065080 334137922 /nfs/dbraw/zinc/13/79/22/334137922.db2.gz CMGGVOCTBZFJML-UHFFFAOYSA-N 0 1 284.153 2.851 20 30 CFEDMN C[C@@H](C#N)CN(C)C(=O)c1cccc(C(F)(F)F)c1O ZINC000566436875 334648979 /nfs/dbraw/zinc/64/89/79/334648979.db2.gz SFQAKLPSWWVZIL-QMMMGPOBSA-N 0 1 286.253 2.643 20 30 CFEDMN CC1CCN(CC(=O)N[C@](C)(C#N)C2CCCCC2)CC1 ZINC000577120980 335304035 /nfs/dbraw/zinc/30/40/35/335304035.db2.gz KOONVZVXLHJTSX-QGZVFWFLSA-N 0 1 291.439 2.697 20 30 CFEDMN C=CCCCCN1CC[S@](=O)C(CC)(CC)C1 ZINC000577467028 335355368 /nfs/dbraw/zinc/35/53/68/335355368.db2.gz RPFLXCAUOSFZNI-KRWDZBQOSA-N 0 1 257.443 2.966 20 30 CFEDMN Cc1cc(C[C@@H](C)NCCC#N)n(-c2ccccc2)n1 ZINC000579228513 335723830 /nfs/dbraw/zinc/72/38/30/335723830.db2.gz QQFDYNYELROPHF-CYBMUJFWSA-N 0 1 268.364 2.615 20 30 CFEDMN CC[C@@H](CC#N)NCc1ccc(-n2ccnc2)cc1C ZINC000582012077 336191740 /nfs/dbraw/zinc/19/17/40/336191740.db2.gz VZDDRPKENTZGLQ-HNNXBMFYSA-N 0 1 268.364 2.963 20 30 CFEDMN C=C(C)CN1CC[C@H]1CN(C)C(=O)c1ccsc1C ZINC001085585841 782106880 /nfs/dbraw/zinc/10/68/80/782106880.db2.gz JZXVWEWINGOUGJ-ZDUSSCGKSA-N 0 1 278.421 2.779 20 30 CFEDMN C=CCCN1CC[C@@H]1CN(C)C(=O)c1ccoc1Cl ZINC001085565720 782099879 /nfs/dbraw/zinc/09/98/79/782099879.db2.gz RBTZMKZOXNZJDZ-LLVKDONJSA-N 0 1 282.771 2.655 20 30 CFEDMN C=C(C)CN1CC[C@@H]1CN(C)C(=O)[C@@H]1CCC(F)(F)C1 ZINC001085633621 782122759 /nfs/dbraw/zinc/12/27/59/782122759.db2.gz WRJSNQURSNIKKQ-CHWSQXEVSA-N 0 1 286.366 2.531 20 30 CFEDMN CCc1nc(C#N)cc(-c2ccc(O)c(F)c2F)n1 ZINC001243339356 782143933 /nfs/dbraw/zinc/14/39/33/782143933.db2.gz OUWBCSYLNZGTDA-UHFFFAOYSA-N 0 1 261.231 2.561 20 30 CFEDMN N#Cc1cc(-c2ccc(O)c(F)c2F)cnc1F ZINC001243342209 782147794 /nfs/dbraw/zinc/14/77/94/782147794.db2.gz ATBQGUVGOKTVSD-UHFFFAOYSA-N 0 1 250.179 2.743 20 30 CFEDMN CCN(CC(=O)Nc1sccc1C#N)CC(C)(C)C ZINC000361519987 520372142 /nfs/dbraw/zinc/37/21/42/520372142.db2.gz RWUXWNLGMFBOMT-UHFFFAOYSA-N 0 1 279.409 2.926 20 30 CFEDMN C[C@@H](c1cccc(C#N)c1)N(C)Cc1n[nH]c(C2CC2)n1 ZINC000425537272 534082561 /nfs/dbraw/zinc/08/25/61/534082561.db2.gz QIFLOQMEWVZEAC-NSHDSACASA-N 0 1 281.363 2.747 20 30 CFEDMN Cc1cc(C2CCN(CC3(C#N)CCC3)CC2)[nH]n1 ZINC000333726712 534142790 /nfs/dbraw/zinc/14/27/90/534142790.db2.gz SMZZTBZISAOPII-UHFFFAOYSA-N 0 1 258.369 2.591 20 30 CFEDMN Cc1ccc(-c2cc(C(=O)N3CC(C)(C#N)C3)n[nH]2)c(C)c1 ZINC000334694085 534168830 /nfs/dbraw/zinc/16/88/30/534168830.db2.gz JRCDQCIBAVVYOQ-UHFFFAOYSA-N 0 1 294.358 2.679 20 30 CFEDMN C=CCN1CCC(C(=O)c2ccc(OC)cc2)CC1 ZINC000054886706 518859240 /nfs/dbraw/zinc/85/92/40/518859240.db2.gz RXPOCDKJTVTQRA-UHFFFAOYSA-N 0 1 259.349 2.776 20 30 CFEDMN C=CCNC(=O)CN[C@@H](C)c1ccc(C(F)(F)F)cc1 ZINC000182427026 518894534 /nfs/dbraw/zinc/89/45/34/518894534.db2.gz SKHLFJPXBQBNMQ-JTQLQIEISA-N 0 1 286.297 2.658 20 30 CFEDMN C=C(C)CN1CC[C@@H]1CN(C)C(=O)c1ccccc1CC ZINC001085787749 782161794 /nfs/dbraw/zinc/16/17/94/782161794.db2.gz VQPIYVYPIHBMOB-MRXNPFEDSA-N 0 1 286.419 2.971 20 30 CFEDMN CC(C)c1ccc(C(=O)N=c2[nH]n(C(C)C)cc2C#N)nc1 ZINC000361914540 519834990 /nfs/dbraw/zinc/83/49/90/519834990.db2.gz PXCLECFXVUOBJL-UHFFFAOYSA-N 0 1 297.362 2.528 20 30 CFEDMN N#CC1(F)CCN(C[C@@H](O)Cc2cccc(Cl)c2)CC1 ZINC000347207650 534566489 /nfs/dbraw/zinc/56/64/89/534566489.db2.gz OZUKUKDADDJASK-AWEZNQCLSA-N 0 1 296.773 2.571 20 30 CFEDMN N#CC1(F)CCN(C[C@H](O)Cc2cccc(Cl)c2)CC1 ZINC000347207651 534567966 /nfs/dbraw/zinc/56/79/66/534567966.db2.gz OZUKUKDADDJASK-CQSZACIVSA-N 0 1 296.773 2.571 20 30 CFEDMN CCc1ccsc1C(=O)N=c1[nH]n(C(C)C)cc1C#N ZINC000361915619 521993937 /nfs/dbraw/zinc/99/39/37/521993937.db2.gz WWOWKKDRFUKLGM-UHFFFAOYSA-N 0 1 288.376 2.634 20 30 CFEDMN N#CCCCOc1cccc(CN2CC3(C2)CCOC3)c1 ZINC000354768479 534615933 /nfs/dbraw/zinc/61/59/33/534615933.db2.gz GLQNIWAHMGFBTN-UHFFFAOYSA-N 0 1 286.375 2.591 20 30 CFEDMN CN(Cc1ccc(F)cc1C#N)C[C@H]1CCCC[C@H]1O ZINC000305816743 523256311 /nfs/dbraw/zinc/25/63/11/523256311.db2.gz OSEARVCGMOALEF-CZUORRHYSA-N 0 1 276.355 2.680 20 30 CFEDMN CO[C@@H]1CCN(Cc2ccc(C#N)c(F)c2)[C@H](C)C1 ZINC000336401795 523686868 /nfs/dbraw/zinc/68/68/68/523686868.db2.gz REAHQVLRPJIWKW-BXUZGUMPSA-N 0 1 262.328 2.697 20 30 CFEDMN CO[C@@H]1CCN(Cc2ccc(C#N)c(F)c2)C[C@H]1C ZINC000336257665 523688106 /nfs/dbraw/zinc/68/81/06/523688106.db2.gz QLVPLUYBOVXRSV-IAQYHMDHSA-N 0 1 262.328 2.554 20 30 CFEDMN CO[C@@H]1CN(Cc2cccc(C#N)c2F)CC[C@H]1C ZINC000300241270 523736692 /nfs/dbraw/zinc/73/66/92/523736692.db2.gz FOBCYBYSQZQFOJ-BXUZGUMPSA-N 0 1 262.328 2.554 20 30 CFEDMN CO[C@H]1CCN(Cc2ccc(C#N)c(F)c2)CC1(C)C ZINC000336295617 523997229 /nfs/dbraw/zinc/99/72/29/523997229.db2.gz ZSVMUVPFXFLNRN-HNNXBMFYSA-N 0 1 276.355 2.944 20 30 CFEDMN C[C@@H](C1CC1)N(C)Cc1nnc(-c2ccc(C#N)cc2)o1 ZINC000075614680 524320687 /nfs/dbraw/zinc/32/06/87/524320687.db2.gz AYPMVKROLIOOKX-NSHDSACASA-N 0 1 282.347 2.839 20 30 CFEDMN Cc1cccc(NS(=O)(=O)c2ccc(C#N)s2)c1F ZINC000311912892 524690311 /nfs/dbraw/zinc/69/03/11/524690311.db2.gz FFGFKAMTVKDAIE-UHFFFAOYSA-N 0 1 296.348 2.868 20 30 CFEDMN C[C@H]1C[C@@H](c2cccnc2)N(Cc2cc(C#N)n(C)c2)C1 ZINC000191493249 524834159 /nfs/dbraw/zinc/83/41/59/524834159.db2.gz LOHJICMZIBQKBF-GUYCJALGSA-N 0 1 280.375 2.875 20 30 CFEDMN C[C@H]1[C@@H](CO)CCCN1Cc1ccc(C#N)cc1Cl ZINC000335180378 525085114 /nfs/dbraw/zinc/08/51/14/525085114.db2.gz QANXSMJPNBKKOU-SMDDNHRTSA-N 0 1 278.783 2.804 20 30 CFEDMN Cc1ccc(NS(=O)(=O)c2ccc(C#N)s2)c(F)c1 ZINC000230334267 525299798 /nfs/dbraw/zinc/29/97/98/525299798.db2.gz KUGPXNBOEVPXID-UHFFFAOYSA-N 0 1 296.348 2.868 20 30 CFEDMN C[C@]1(O)CCCN(Cc2ccc(C#N)cc2Cl)C1 ZINC000162936959 525308404 /nfs/dbraw/zinc/30/84/04/525308404.db2.gz DWAXANQYCZKCFP-AWEZNQCLSA-N 0 1 264.756 2.558 20 30 CFEDMN Cc1cnn([C@@H]2CCN(Cc3cc(C#N)cs3)C2)c1 ZINC000334956752 526266972 /nfs/dbraw/zinc/26/69/72/526266972.db2.gz AVDYNIRKNHOGLL-CYBMUJFWSA-N 0 1 272.377 2.572 20 30 CFEDMN C=CCN(CCc1ccco1)Cc1ccnc(OC)c1 ZINC000352701388 526326426 /nfs/dbraw/zinc/32/64/26/526326426.db2.gz JGDPESFTSQEGTO-UHFFFAOYSA-N 0 1 272.348 2.914 20 30 CFEDMN N#Cc1ccc(CN(CCO)Cc2ccccc2)cc1F ZINC000191990483 526610428 /nfs/dbraw/zinc/61/04/28/526610428.db2.gz CUTLNRFGLKKFDA-UHFFFAOYSA-N 0 1 284.334 2.692 20 30 CFEDMN N#Cc1ccc(CN2CCCC[C@H]2CCO)c(Cl)c1 ZINC000162860245 526611676 /nfs/dbraw/zinc/61/16/76/526611676.db2.gz MUVBSJUSEXCJEZ-AWEZNQCLSA-N 0 1 278.783 2.949 20 30 CFEDMN N#Cc1ccc(CN[C@H]2C[C@@H](CO)c3ccccc32)s1 ZINC000364983693 526627073 /nfs/dbraw/zinc/62/70/73/526627073.db2.gz BNHHJQIIQYPWTA-ZBEGNZNMSA-N 0 1 284.384 2.930 20 30 CFEDMN Cc1noc([C@@H]2CCCN(Cc3ccccc3C#N)C2)n1 ZINC000054676583 526653453 /nfs/dbraw/zinc/65/34/53/526653453.db2.gz IOUGQKSKQJQMGC-OAHLLOKOSA-N 0 1 282.347 2.629 20 30 CFEDMN C=C(C)COCCNCc1nccn1Cc1ccccc1 ZINC000344979066 526654701 /nfs/dbraw/zinc/65/47/01/526654701.db2.gz VZAIJDIEMAQEEJ-UHFFFAOYSA-N 0 1 285.391 2.614 20 30 CFEDMN C=C1CCN(CCc2nc3ccccc3c(=O)[nH]2)CC1 ZINC000336617452 526903270 /nfs/dbraw/zinc/90/32/70/526903270.db2.gz PGWKXSDHIKBYCK-UHFFFAOYSA-N 0 1 269.348 2.530 20 30 CFEDMN C=CCC1(C(=O)N2CCN3CCC2CC3)CCCCC1 ZINC000334628032 527044374 /nfs/dbraw/zinc/04/43/74/527044374.db2.gz NGLPUCUAKQHNKD-UHFFFAOYSA-N 0 1 276.424 2.820 20 30 CFEDMN Cn1cc(CNC(C)(C)c2ccc([N+](=O)[O-])cc2)cc1C#N ZINC000191296303 527214483 /nfs/dbraw/zinc/21/44/83/527214483.db2.gz VIZACMHAORBXBA-UHFFFAOYSA-N 0 1 298.346 2.830 20 30 CFEDMN C=CCCC[C@H](C)NC(=O)N1CCNC[C@H]1CCC ZINC000417992524 527286929 /nfs/dbraw/zinc/28/69/29/527286929.db2.gz WNRWHZYMRKNTDL-UONOGXRCSA-N 0 1 267.417 2.515 20 30 CFEDMN C=C[C@@H](CO)N[C@@H](COC)c1cccc(C(F)(F)F)c1 ZINC000353576756 527443830 /nfs/dbraw/zinc/44/38/30/527443830.db2.gz OQFYKRHCXAPKIX-STQMWFEESA-N 0 1 289.297 2.529 20 30 CFEDMN C=C[C@@H]1CCCCN1Cc1cc(=O)n2cc(C)ccc2n1 ZINC000336206516 527456966 /nfs/dbraw/zinc/45/69/66/527456966.db2.gz OVFZFWYGRTVRFK-OAHLLOKOSA-N 0 1 283.375 2.543 20 30 CFEDMN CC(C)(C#N)CC(=O)Nc1nc2ccc(F)cc2[nH]1 ZINC000335971857 527460855 /nfs/dbraw/zinc/46/08/55/527460855.db2.gz JNKVAJDDPBLDJC-UHFFFAOYSA-N 0 1 260.272 2.580 20 30 CFEDMN C=C[C@H](CC(=O)N1C[C@@H](C)N(C)C[C@@H]1C)c1ccccc1 ZINC000351987493 527575610 /nfs/dbraw/zinc/57/56/10/527575610.db2.gz VZQNFUZVLHJFRE-OWCLPIDISA-N 0 1 286.419 2.897 20 30 CFEDMN CC1(CNC([O-])=[NH+][C@H]2CCc3c[nH]nc3C2)CCCCC1 ZINC000329603530 527901593 /nfs/dbraw/zinc/90/15/93/527901593.db2.gz LKBMSHLHGXSQNW-ZDUSSCGKSA-N 0 1 290.411 2.741 20 30 CFEDMN CC[C@H](C)n1ncc(C(=O)NCCN2CC=CCC2)c1C ZINC000330076397 529287467 /nfs/dbraw/zinc/28/74/67/529287467.db2.gz GWYIOMVQTKQORU-ZDUSSCGKSA-N 0 1 290.411 2.729 20 30 CFEDMN CCOC[C@H]1CCCCN1Cc1cnc2ccc(C#N)cn12 ZINC000459674946 535707113 /nfs/dbraw/zinc/70/71/13/535707113.db2.gz LQPZTJFAIAJAQQ-OAHLLOKOSA-N 0 1 298.390 2.597 20 30 CFEDMN COCCCOC1CCN(CC#Cc2ccccc2)CC1 ZINC000192039412 536596689 /nfs/dbraw/zinc/59/66/89/536596689.db2.gz UMHFGESGNBHHFM-UHFFFAOYSA-N 0 1 287.403 2.556 20 30 CFEDMN CON1CCC(N(C)Cc2ccc(Cl)cc2C#N)CC1 ZINC000459583304 536844335 /nfs/dbraw/zinc/84/43/35/536844335.db2.gz SUEREBKDOMWLOM-UHFFFAOYSA-N 0 1 293.798 2.669 20 30 CFEDMN C[C@H]1COC(C)(C)CN1CCCOc1ccc(C#N)cc1 ZINC000753833959 574050211 /nfs/dbraw/zinc/05/02/11/574050211.db2.gz LYGGONWNOVKWDE-AWEZNQCLSA-N 0 1 288.391 2.826 20 30 CFEDMN CCc1ccc(C=NNC2=N[C@@H]3CCCC[C@@H]3N2)s1 ZINC000753933095 574055486 /nfs/dbraw/zinc/05/54/86/574055486.db2.gz BHGIEKKSCMTCPA-BETUJISGSA-N 0 1 276.409 2.504 20 30 CFEDMN C(=NNC1=N[C@@H]2CCCC[C@@H]2N1)c1ccccc1C1CC1 ZINC000753936345 574056630 /nfs/dbraw/zinc/05/66/30/574056630.db2.gz SYJZSTGYPHJBNM-IYBDPMFKSA-N 0 1 282.391 2.758 20 30 CFEDMN C[C@H]1CC(N=Nc2cnc3ccccc3n2)CN1C1CC1 ZINC000753960426 574059374 /nfs/dbraw/zinc/05/93/74/574059374.db2.gz RTRHILYVCLINRJ-NSHDSACASA-N 0 1 281.363 2.654 20 30 CFEDMN Cc1ccc(NN=Cc2nccn2CC(F)(F)F)nc1 ZINC000727684986 574060395 /nfs/dbraw/zinc/06/03/95/574060395.db2.gz ULWFWKGZSPLSIA-UHFFFAOYSA-N 0 1 283.257 2.595 20 30 CFEDMN C#CCN(CC(=O)N[C@H]1CCCC[C@H]1C)C1CCCCC1 ZINC000744212538 574061570 /nfs/dbraw/zinc/06/15/70/574061570.db2.gz GWMMIMBCKSEIOL-WBVHZDCISA-N 0 1 290.451 2.949 20 30 CFEDMN COC1(C(=O)C(C#N)c2cnc3ccccc3n2)CCCC1 ZINC000754008691 574063200 /nfs/dbraw/zinc/06/32/00/574063200.db2.gz GQRBIASAARCCAP-GFCCVEGCSA-N 0 1 295.342 2.765 20 30 CFEDMN N#CCC1(COC(=O)c2cc(-c3ccco3)n[nH]2)CC1 ZINC000744278154 574063642 /nfs/dbraw/zinc/06/36/42/574063642.db2.gz QZZXXYCQGPORNP-UHFFFAOYSA-N 0 1 271.276 2.520 20 30 CFEDMN C[C@@H]1C[C@H](C)C[N@@H+]([C@H](C(=O)[O-])c2ccc(C#N)cc2)C1 ZINC000736750333 574070143 /nfs/dbraw/zinc/07/01/43/574070143.db2.gz OHFRMRXIGWWLCJ-ZOWXZIJZSA-N 0 1 272.348 2.662 20 30 CFEDMN C[C@@H]1CCC[N@H+]([C@H](C(=O)[O-])c2ccc(C#N)cc2)CC1 ZINC000736793126 574075557 /nfs/dbraw/zinc/07/55/57/574075557.db2.gz JUALAUNBINTVGX-DOMZBBRYSA-N 0 1 272.348 2.806 20 30 CFEDMN Clc1ccc(C=NNC2=N[C@@H]3CCCC[C@H]3N2)cc1 ZINC000753935664 574082694 /nfs/dbraw/zinc/08/26/94/574082694.db2.gz OZCJXGFXLNKLOI-CHWSQXEVSA-N 0 1 276.771 2.534 20 30 CFEDMN CC(C)[N@@H+]1CC(N=Nc2ccc(C(=O)[O-])cc2)[C@@H](C)C1 ZINC000754256674 574084620 /nfs/dbraw/zinc/08/46/20/574084620.db2.gz YMEWCSCROXZDEO-NSHDSACASA-N 0 1 275.352 2.513 20 30 CFEDMN CC(C)CN(CCC#N)CCC(=O)N1CCc2ccccc21 ZINC000740423552 574084756 /nfs/dbraw/zinc/08/47/56/574084756.db2.gz NJZHFVLDUHYDQW-UHFFFAOYSA-N 0 1 299.418 2.837 20 30 CFEDMN CC[C@H]1CCC[N@H+]([C@@H](C(=O)[O-])c2ccc(C#N)cc2)C1 ZINC000736938866 574086349 /nfs/dbraw/zinc/08/63/49/574086349.db2.gz LOHQRTXAPFYVQG-SWLSCSKDSA-N 0 1 272.348 2.806 20 30 CFEDMN C=C(C)C[N@H+]1CCCC[C@@H]1[C@@H]1CCCN1C(=O)[O-] ZINC000738485743 574089557 /nfs/dbraw/zinc/08/95/57/574089557.db2.gz QFJFPWWFFCBTHA-OLZOCXBDSA-N 0 1 252.358 2.559 20 30 CFEDMN C[C@H](C#N)Oc1ccc(C=NNc2ccc(F)cn2)cc1 ZINC000731321042 574116601 /nfs/dbraw/zinc/11/66/01/574116601.db2.gz CEGZRTNPXBYFJP-LLVKDONJSA-N 0 1 284.294 2.958 20 30 CFEDMN CC(=NNc1ccc(F)cn1)c1ccc([N+](=O)[O-])cc1 ZINC000731320333 574116727 /nfs/dbraw/zinc/11/67/27/574116727.db2.gz YATWAAGHNUIFPF-UHFFFAOYSA-N 0 1 274.255 2.965 20 30 CFEDMN Cc1ccc2nc(CN=Cc3cccc(O)c3O)[nH]c2c1 ZINC000745975996 574130073 /nfs/dbraw/zinc/13/00/73/574130073.db2.gz DCZAJGHKWPUBDZ-IUXPMGMMSA-N 0 1 281.315 2.902 20 30 CFEDMN Cc1ccc(C=NNc2ccccc2S(C)(=O)=O)cc1 ZINC000731933202 574135028 /nfs/dbraw/zinc/13/50/28/574135028.db2.gz HLOAXLNLVBTUJQ-UHFFFAOYSA-N 0 1 288.372 2.845 20 30 CFEDMN COc1ccc(CNCc2ccc(C#N)s2)cc1C#N ZINC000746741121 574165277 /nfs/dbraw/zinc/16/52/77/574165277.db2.gz KFZYDJCXIPGONO-UHFFFAOYSA-N 0 1 283.356 2.790 20 30 CFEDMN Cc1csc([C@H](C#N)C(=O)C=CC2CCOCC2)n1 ZINC000732707846 574166210 /nfs/dbraw/zinc/16/62/10/574166210.db2.gz HCGZLDJMPPAFPK-ZZKXABKFSA-N 0 1 276.361 2.611 20 30 CFEDMN Cc1csc(C(C#N)C(=O)C=CC2CCOCC2)n1 ZINC000732707846 574166212 /nfs/dbraw/zinc/16/62/12/574166212.db2.gz HCGZLDJMPPAFPK-ZZKXABKFSA-N 0 1 276.361 2.611 20 30 CFEDMN Cc1csc(C(C#N)=C(O)C=CC2CCOCC2)n1 ZINC000732707846 574166215 /nfs/dbraw/zinc/16/62/15/574166215.db2.gz HCGZLDJMPPAFPK-ZZKXABKFSA-N 0 1 276.361 2.611 20 30 CFEDMN Cc1nc[nH]c1C=NNc1ccccc1Br ZINC000755629245 574173442 /nfs/dbraw/zinc/17/34/42/574173442.db2.gz PQEHSICSAMMETI-UHFFFAOYSA-N 0 1 279.141 2.927 20 30 CFEDMN C[C@@H]1CCCC[C@H]1CC(=O)C(C#N)C(=O)Nc1ccccn1 ZINC000747020803 574175759 /nfs/dbraw/zinc/17/57/59/574175759.db2.gz JBNPBSKDNCLJGI-HZSPNIEDSA-N 0 1 299.374 2.945 20 30 CFEDMN Fc1ccc(C=NNc2ncnc3nc[nH]c32)cc1Cl ZINC000755660228 574176187 /nfs/dbraw/zinc/17/61/87/574176187.db2.gz DGZCZMBQALGYRW-UHFFFAOYSA-N 0 1 290.689 2.591 20 30 CFEDMN Cc1ccc(N=NCc2sc(Cl)nc2Cl)nn1 ZINC000755699476 574179045 /nfs/dbraw/zinc/17/90/45/574179045.db2.gz QAMYIUXJLWTGPK-UHFFFAOYSA-N 0 1 288.163 2.994 20 30 CFEDMN Clc1ccc(-c2noc(N=NCc3cnc[nH]3)n2)cc1 ZINC000755722928 574181539 /nfs/dbraw/zinc/18/15/39/574181539.db2.gz SAPDMNIZQDLNFA-UHFFFAOYSA-N 0 1 288.698 2.559 20 30 CFEDMN c1nc2ccccn2c1CN=Nc1cnnc2ccccc12 ZINC000755734499 574182580 /nfs/dbraw/zinc/18/25/80/574182580.db2.gz QBDJUIPYWFUWNB-UHFFFAOYSA-N 0 1 288.314 2.724 20 30 CFEDMN Cc1nc(Cl)cc(NN=Cc2cc(F)ccc2O)n1 ZINC000755741604 574183263 /nfs/dbraw/zinc/18/32/63/574183263.db2.gz AEDXHZSTHRDSQV-UHFFFAOYSA-N 0 1 280.690 2.729 20 30 CFEDMN COc1ccc(N=NCc2ccccc2C#N)c([N+](=O)[O-])c1 ZINC000755804228 574188370 /nfs/dbraw/zinc/18/83/70/574188370.db2.gz YWKAUMWNVDFLDP-UHFFFAOYSA-N 0 1 296.286 2.921 20 30 CFEDMN C[C@@H]1CN(C2CC2)CC1N=Nc1cccc(F)c1F ZINC000755891651 574194746 /nfs/dbraw/zinc/19/47/46/574194746.db2.gz JPJQFJVXVLQOMG-SECBINFHSA-N 0 1 265.307 2.847 20 30 CFEDMN COc1cc(CN=Nc2cc(C)ccn2)cc(OC)c1O ZINC000755901383 574195278 /nfs/dbraw/zinc/19/52/78/574195278.db2.gz VFRGOVQUJAFKHF-UHFFFAOYSA-N 0 1 287.319 2.559 20 30 CFEDMN Cc1ccnc(NN=Cc2cc(-c3cccnc3)[nH]n2)c1 ZINC000755901361 574195311 /nfs/dbraw/zinc/19/53/11/574195311.db2.gz UNOLAMUYOTXYSL-UHFFFAOYSA-N 0 1 278.319 2.621 20 30 CFEDMN COCc1cccc(C=NNc2cc(C)ccn2)c1 ZINC000755900125 574195723 /nfs/dbraw/zinc/19/57/23/574195723.db2.gz KNEXNEYTRZRDOM-UHFFFAOYSA-N 0 1 255.321 2.982 20 30 CFEDMN Cc1ccnc(N=NCc2cn(C)nc2-c2ccncc2)c1 ZINC000755907113 574196604 /nfs/dbraw/zinc/19/66/04/574196604.db2.gz UBYCWGIUBVZQBE-UHFFFAOYSA-N 0 1 292.346 2.632 20 30 CFEDMN N#Cc1ccc([C@H](C(=O)[O-])[N@H+]2CC[C@H](c3ccco3)C2)cc1 ZINC000739105930 574198753 /nfs/dbraw/zinc/19/87/53/574198753.db2.gz OQWFCDDZOHCAPP-GOEBONIOSA-N 0 1 296.326 2.766 20 30 CFEDMN C[C@@H](c1ccc(C#N)cc1)[N@H+]1CC[C@H](NC(=O)[O-])[C@H](C)C1 ZINC000739171587 574200068 /nfs/dbraw/zinc/20/00/68/574200068.db2.gz CKIBAADWKSFOHG-XUJVJEKNSA-N 0 1 287.363 2.597 20 30 CFEDMN O=[N+]([O-])c1ccc2[nH]cc(C=NNc3ccccn3)c2c1 ZINC000747745842 574210399 /nfs/dbraw/zinc/21/03/99/574210399.db2.gz BMAJVYDUGYOJIK-UHFFFAOYSA-N 0 1 281.275 2.917 20 30 CFEDMN CN(C)c1nccc(N=NCc2ccc3ncccc3c2)n1 ZINC000739417972 574212834 /nfs/dbraw/zinc/21/28/34/574212834.db2.gz HGZRUGLAZJRSHP-UHFFFAOYSA-N 0 1 292.346 2.537 20 30 CFEDMN Cc1cccc2[nH]cc(C=NN=c3cc[nH]c(N(C)C)n3)c21 ZINC000739413892 574212983 /nfs/dbraw/zinc/21/29/83/574212983.db2.gz RHTBUURNTDPACM-UHFFFAOYSA-N 0 1 294.362 2.778 20 30 CFEDMN C#CCCOc1ccc(CNCc2cccc(F)n2)cc1 ZINC000747926723 574220286 /nfs/dbraw/zinc/22/02/86/574220286.db2.gz VPHBJEHEHDRAKC-UHFFFAOYSA-N 0 1 284.334 2.913 20 30 CFEDMN C[C@H](C#N)Oc1ccc(CNCc2cccc(F)n2)cc1 ZINC000747936595 574221102 /nfs/dbraw/zinc/22/11/02/574221102.db2.gz VOSQDRSCBKUHKB-GFCCVEGCSA-N 0 1 285.322 2.801 20 30 CFEDMN CC#CCN1CCC[C@H](C)[C@@H]1CNC(=O)OC(C)(C)C ZINC000747971496 574222885 /nfs/dbraw/zinc/22/28/85/574222885.db2.gz YGFUKINNEOMEQU-KBPBESRZSA-N 0 1 280.412 2.635 20 30 CFEDMN C[C@H]1CCCC[C@H]1OCC(=O)Nc1cc(C#N)ccc1O ZINC000748003455 574224589 /nfs/dbraw/zinc/22/45/89/574224589.db2.gz VXVBTSYQLUFQNV-XHDPSFHLSA-N 0 1 288.347 2.798 20 30 CFEDMN C#CCN1CCC[C@@H]1COC(=O)C[C@H](C)CC(C)C ZINC000729812144 574233281 /nfs/dbraw/zinc/23/32/81/574233281.db2.gz NFBJGXFPMBXDSN-HUUCEWRRSA-N 0 1 265.397 2.700 20 30 CFEDMN C#CCN1CCC[C@@H]1COC(=O)c1ccc(CC)cc1 ZINC000729808677 574233396 /nfs/dbraw/zinc/23/33/96/574233396.db2.gz DZHPPUHTPRPNPU-MRXNPFEDSA-N 0 1 271.360 2.503 20 30 CFEDMN C#CCN1CCC[C@@H]1COC(=O)[C@H](C)Cc1ccccc1 ZINC000756545897 574245727 /nfs/dbraw/zinc/24/57/27/574245727.db2.gz XCTKOMIZQUAJCC-NVXWUHKLSA-N 0 1 285.387 2.506 20 30 CFEDMN C#CCN1CCC[C@H]1COC(=O)/C=C(/C)c1ccccc1 ZINC000756544692 574245918 /nfs/dbraw/zinc/24/59/18/574245918.db2.gz VWXMVSCIEMVKMZ-REZBVGGZSA-N 0 1 283.371 2.731 20 30 CFEDMN C#CCN1CCC[C@@H]1COC(=O)/C=C(\C)C(C)(C)C ZINC000756550682 574246598 /nfs/dbraw/zinc/24/65/98/574246598.db2.gz CTXRQHBVIUAHJI-YPDDLIOESA-N 0 1 263.381 2.620 20 30 CFEDMN C#CCN1CCC[C@H]1COC(=O)CCC1CCCC1 ZINC000756549107 574246618 /nfs/dbraw/zinc/24/66/18/574246618.db2.gz FIHRUWCKNZVDKU-HNNXBMFYSA-N 0 1 263.381 2.598 20 30 CFEDMN CCCCCC[N@@H+](C)CC(=O)Nc1cc(C#N)ccc1[O-] ZINC000748410423 574250933 /nfs/dbraw/zinc/25/09/33/574250933.db2.gz KAYDLPBILMZIOJ-UHFFFAOYSA-N 0 1 289.379 2.714 20 30 CFEDMN Cc1nc(CCC(=O)Nc2cc(C#N)ccc2O)cs1 ZINC000748410405 574251019 /nfs/dbraw/zinc/25/10/19/574251019.db2.gz KZVBIYXMBGIEIO-UHFFFAOYSA-N 0 1 287.344 2.600 20 30 CFEDMN Cc1cc(C)n([C@@H](C)CC(=O)Nc2cc(C#N)ccc2O)n1 ZINC000748411209 574251386 /nfs/dbraw/zinc/25/13/86/574251386.db2.gz MAXSTOUYXMBVAO-LBPRGKRZSA-N 0 1 298.346 2.667 20 30 CFEDMN C=C(C)[C@@H](CC(=O)Nc1cc(C#N)ccc1O)OCC ZINC000756787231 574262782 /nfs/dbraw/zinc/26/27/82/574262782.db2.gz HUIZTLQRYOPTRG-CQSZACIVSA-N 0 1 274.320 2.574 20 30 CFEDMN CCC(=NN=c1cc[nH]c(N(C)C)n1)c1cccc(OC)c1 ZINC000740762694 574265972 /nfs/dbraw/zinc/26/59/72/574265972.db2.gz CFXQZXWRFKIWSN-UHFFFAOYSA-N 0 1 299.378 2.777 20 30 CFEDMN COCc1cccc(CN=Nc2ccncc2Cl)c1 ZINC000756841942 574267570 /nfs/dbraw/zinc/26/75/70/574267570.db2.gz DPMAMTYOYTUWKT-UHFFFAOYSA-N 0 1 275.739 2.749 20 30 CFEDMN C#CCN(CC(=O)NCC1CCCCC1)C1CCCC1 ZINC000756912062 574272772 /nfs/dbraw/zinc/27/27/72/574272772.db2.gz UGAVDWXAABGLAP-UHFFFAOYSA-N 0 1 276.424 2.561 20 30 CFEDMN N#CCCCOC(=O)c1ccc(-c2nnc(C3CC3)[nH]2)cc1 ZINC000748901811 574273580 /nfs/dbraw/zinc/27/35/80/574273580.db2.gz LOATTZCWJZYBFQ-UHFFFAOYSA-N 0 1 296.330 2.810 20 30 CFEDMN C#CCOc1ccccc1CNCc1n[nH]c2ccccc12 ZINC000734159259 574277567 /nfs/dbraw/zinc/27/75/67/574277567.db2.gz JYPJNTQTUXOZAP-UHFFFAOYSA-N 0 1 291.354 2.865 20 30 CFEDMN CCn1nc(C)c(CNCc2ccc(OC)c(C#N)c2)c1C ZINC000742369856 574278294 /nfs/dbraw/zinc/27/82/94/574278294.db2.gz YDPKDQNJYJFRPS-UHFFFAOYSA-N 0 1 298.390 2.690 20 30 CFEDMN N#Cc1ccc(CNCc2ccc3c(c2)CCO3)s1 ZINC000749110490 574280054 /nfs/dbraw/zinc/28/00/54/574280054.db2.gz JANYPCBXZQLIOU-UHFFFAOYSA-N 0 1 270.357 2.844 20 30 CFEDMN N#Cc1ccc(CN[C@H](CCO)c2cccs2)s1 ZINC000749110720 574280215 /nfs/dbraw/zinc/28/02/15/574280215.db2.gz ONGVPZZIWGQDJO-GFCCVEGCSA-N 0 1 278.402 2.895 20 30 CFEDMN C=CCOC(=O)[C@@H]1CCCN(Cc2cccc(F)c2)C1 ZINC000741327060 574287262 /nfs/dbraw/zinc/28/72/62/574287262.db2.gz OVZQYYAZNVGDOU-CQSZACIVSA-N 0 1 277.339 2.767 20 30 CFEDMN CCC(N=Nc1ccc([N+](=O)[O-])cc1)c1cnn(C)c1 ZINC000741809711 574304850 /nfs/dbraw/zinc/30/48/50/574304850.db2.gz FALXHECIUBRXCY-UHFFFAOYSA-N 0 1 273.296 2.555 20 30 CFEDMN C#CCSc1nc(-c2ccc3c(c2)CCC3)n[nH]1 ZINC000741854946 574306440 /nfs/dbraw/zinc/30/64/40/574306440.db2.gz VZRDWFHLYHTWLI-UHFFFAOYSA-N 0 1 255.346 2.686 20 30 CFEDMN C#CCNC(=O)CNC(C)(C)c1ccc(Cl)c(Cl)c1 ZINC000725798961 574310210 /nfs/dbraw/zinc/31/02/10/574310210.db2.gz FGGSKRPZSHVFOB-UHFFFAOYSA-N 0 1 299.201 2.568 20 30 CFEDMN CC(C)C1N=NC(=S)N1N=Cc1cc(F)c(O)c(F)c1 ZINC000749853863 574312362 /nfs/dbraw/zinc/31/23/62/574312362.db2.gz CMOLRRVZGLXEJD-UHFFFAOYSA-N 0 1 298.318 2.556 20 30 CFEDMN CN(Cc1cc(Cl)ccc1OCC#N)C[C@@H]1CCCO1 ZINC000735309504 574320414 /nfs/dbraw/zinc/32/04/14/574320414.db2.gz GZDCSOCYXWYUHK-AWEZNQCLSA-N 0 1 294.782 2.853 20 30 CFEDMN C[C@H](COc1ccccc1)NCc1ccc(C#N)o1 ZINC000742369046 574325036 /nfs/dbraw/zinc/32/50/36/574325036.db2.gz LGMCNWRKEWXDTN-GFCCVEGCSA-N 0 1 256.305 2.708 20 30 CFEDMN C[C@H](c1ccc(C#N)cc1)[N@H+]1CCC[C@H](N(C)C(=O)[O-])C1 ZINC000739052654 574329022 /nfs/dbraw/zinc/32/90/22/574329022.db2.gz HTYGZFGWMAAHKI-DOMZBBRYSA-N 0 1 287.363 2.693 20 30 CFEDMN Cc1cccc2nc([C@H](C#N)C(=O)[C@H]3C[C@H]3C)[nH]c21 ZINC000735793130 574335808 /nfs/dbraw/zinc/33/58/08/574335808.db2.gz QRYCKBYCQOBHHT-OUAUKWLOSA-N 0 1 253.305 2.704 20 30 CFEDMN Cc1cccc2nc([C@@H](C#N)C(=O)C[C@H]3CCCO3)[nH]c21 ZINC000735792939 574335996 /nfs/dbraw/zinc/33/59/96/574335996.db2.gz PBJUFUFXVSSCHM-NEPJUHHUSA-N 0 1 283.331 2.617 20 30 CFEDMN C[C@H](C(=O)C(C#N)C(=O)NC1CCCCC1)C1CCCC1 ZINC000750683468 574350932 /nfs/dbraw/zinc/35/09/32/574350932.db2.gz DXTCSVAALLLZAQ-WFASDCNBSA-N 0 1 290.407 2.970 20 30 CFEDMN O=C1c2ccccc2OC/C1=C\c1cc(O)ccc1[N+](=O)[O-] ZINC000751205757 574371968 /nfs/dbraw/zinc/37/19/68/574371968.db2.gz SVXQWFQTEITLNU-YRNVUSSQSA-N 0 1 297.266 2.959 20 30 CFEDMN C#CCN(CC#CC)CCCCOc1ccccc1 ZINC000743852538 574374110 /nfs/dbraw/zinc/37/41/10/574374110.db2.gz VAOIODRVZHNJHR-UHFFFAOYSA-N 0 1 255.361 2.804 20 30 CFEDMN Cc1cccc2nc([C@H](C#N)C(=O)CC[C@@H]3CCOC3)[nH]c21 ZINC000751846642 574383718 /nfs/dbraw/zinc/38/37/18/574383718.db2.gz ZVUTXAPLNCPSCD-CHWSQXEVSA-N 0 1 297.358 2.864 20 30 CFEDMN CC[C@H](C)OCC(=O)[C@@H](C#N)c1nc2cccc(C)c2[nH]1 ZINC000752503539 574392085 /nfs/dbraw/zinc/39/20/85/574392085.db2.gz CGKDOZYABPRJQV-NWDGAFQWSA-N 0 1 285.347 2.863 20 30 CFEDMN C#CCCN1CCN([C@@H](C)c2ccc(F)cc2F)CC1 ZINC000752857678 574395771 /nfs/dbraw/zinc/39/57/71/574395771.db2.gz XFOCYIOYOLKDQA-ZDUSSCGKSA-N 0 1 278.346 2.667 20 30 CFEDMN CN(C)c1ccnc(NC(=O)/C=C\c2ccccc2C#N)c1 ZINC000753013025 574397437 /nfs/dbraw/zinc/39/74/37/574397437.db2.gz FQCVZEKRGOTPGR-FPLPWBNLSA-N 0 1 292.342 2.671 20 30 CFEDMN Cc1cc(NN=Cc2cccc(Cl)c2O)ncn1 ZINC000753165338 574399425 /nfs/dbraw/zinc/39/94/25/574399425.db2.gz BPONKWHJLOQFCJ-UHFFFAOYSA-N 0 1 262.700 2.590 20 30 CFEDMN COC(=O)c1cc(CN=Nc2cccc(F)c2F)c[nH]1 ZINC000753166614 574399717 /nfs/dbraw/zinc/39/97/17/574399717.db2.gz LJMRDMYRGPETMH-UHFFFAOYSA-N 0 1 279.246 2.526 20 30 CFEDMN C#CCCCN[C@@H](c1ccc(F)cc1)c1cnccn1 ZINC000753664799 574407693 /nfs/dbraw/zinc/40/76/93/574407693.db2.gz RNBLBZVXZBNGFE-INIZCTEOSA-N 0 1 269.323 2.708 20 30 CFEDMN CC[N@@H+](Cc1cc(C(=O)[O-])sc1C)C[C@H](C)C#N ZINC000155970501 601620572 /nfs/dbraw/zinc/62/05/72/601620572.db2.gz PLWWIYJNEBBNCJ-SECBINFHSA-N 0 1 266.366 2.736 20 30 CFEDMN CC[N@H+](Cc1cc(C(=O)[O-])sc1C)C[C@H](C)C#N ZINC000155970501 601620573 /nfs/dbraw/zinc/62/05/73/601620573.db2.gz PLWWIYJNEBBNCJ-SECBINFHSA-N 0 1 266.366 2.736 20 30 CFEDMN C[C@@H](c1ccc(C#N)cc1)[N@H+]1CCC[C@H](CC(=O)[O-])C1 ZINC000086757462 597081288 /nfs/dbraw/zinc/08/12/88/597081288.db2.gz GQNRXULVHHHQPI-GXTWGEPZSA-N 0 1 272.348 2.806 20 30 CFEDMN CCCCCCCS(=O)(=O)[N-]c1n[nH]c(C)c1C ZINC000194796887 618941288 /nfs/dbraw/zinc/94/12/88/618941288.db2.gz LLAIKFSAVBEGNR-UHFFFAOYSA-N 0 1 273.402 2.739 20 30 CFEDMN CCCCCCCS(=O)(=O)Nc1n[nH]c(C)c1C ZINC000194796887 618941289 /nfs/dbraw/zinc/94/12/89/618941289.db2.gz LLAIKFSAVBEGNR-UHFFFAOYSA-N 0 1 273.402 2.739 20 30 CFEDMN C#C[C@@H](NCc1cc(Cl)cs1)[C@H]1CCCO1 ZINC000309647962 618907336 /nfs/dbraw/zinc/90/73/36/618907336.db2.gz RGBDBGAEIHFUQJ-VXGBXAGGSA-N 0 1 255.770 2.672 20 30 CFEDMN C[N@@H+](Cc1cccc(C#N)c1)[C@@H](C(=O)[O-])c1ccccc1 ZINC000061953791 600398604 /nfs/dbraw/zinc/39/86/04/600398604.db2.gz JNBRZDAHSVUABM-MRXNPFEDSA-N 0 1 280.327 2.816 20 30 CFEDMN N#Cc1ccc([C@@H](C(=O)[O-])[N@H+]2CCC3(CCCC3)C2)cc1 ZINC000833072098 601039660 /nfs/dbraw/zinc/03/96/60/601039660.db2.gz OKFUIOFLVBRPEA-HNNXBMFYSA-N 0 1 284.359 2.950 20 30 CFEDMN CC[C@@H]1C[N@H+]([C@@H](C(=O)[O-])c2ccc(C#N)cc2)CCS1 ZINC000829141273 601042563 /nfs/dbraw/zinc/04/25/63/601042563.db2.gz KYBXYEMDKNGTJC-ZIAGYGMSSA-N 0 1 290.388 2.511 20 30 CFEDMN C[N@H+](Cc1cccs1)[C@H](C(=O)[O-])c1cccc(C#N)c1 ZINC000830865089 601297670 /nfs/dbraw/zinc/29/76/70/601297670.db2.gz JPGADQNFSYIGKT-AWEZNQCLSA-N 0 1 286.356 2.877 20 30 CFEDMN C[N@@H+](Cc1cccs1)[C@H](C(=O)[O-])c1cccc(C#N)c1 ZINC000830865089 601297672 /nfs/dbraw/zinc/29/76/72/601297672.db2.gz JPGADQNFSYIGKT-AWEZNQCLSA-N 0 1 286.356 2.877 20 30 CFEDMN C[C@@H]1C[C@H](C)C[N@@H+]([C@@H](C(=O)[O-])c2cccc(C#N)c2)C1 ZINC000828160640 601308964 /nfs/dbraw/zinc/30/89/64/601308964.db2.gz IJUZKAPWDSWWCC-TYNCELHUSA-N 0 1 272.348 2.662 20 30 CFEDMN N#Cc1cccc([C@@H](C(=O)[O-])[N@H+]2CC[C@@H](c3ccco3)C2)c1 ZINC000833073606 601318309 /nfs/dbraw/zinc/31/83/09/601318309.db2.gz FLMSOCJWGUEKSZ-ZBFHGGJFSA-N 0 1 296.326 2.766 20 30 CFEDMN C=CCN1CCC[C@H](NC(=O)[C@H]2CCCCC2(F)F)C1 ZINC001008067002 651142022 /nfs/dbraw/zinc/14/20/22/651142022.db2.gz RNOWCFCQRMOXOE-QWHCGFSZSA-N 0 1 286.366 2.579 20 30 CFEDMN CC(C)C[N@@H+](CCC#N)Cc1cccc(C(=O)[O-])c1 ZINC000043416855 601762305 /nfs/dbraw/zinc/76/23/05/601762305.db2.gz MLNQWFHNWNXRHL-UHFFFAOYSA-N 0 1 260.337 2.756 20 30 CFEDMN C[N@@H+](Cc1ccc(F)c(C#N)c1)[C@@H](C(=O)[O-])c1ccccc1 ZINC000830825206 602237006 /nfs/dbraw/zinc/23/70/06/602237006.db2.gz HNCVTYIMYVRWSY-MRXNPFEDSA-N 0 1 298.317 2.955 20 30 CFEDMN CC[C@@]1(C)CC[N@H+]([C@H](C(=O)[O-])c2cccc(C#N)c2)C1 ZINC000829051017 602239911 /nfs/dbraw/zinc/23/99/11/602239911.db2.gz ZCIWUKBFHFDJAR-HOCLYGCPSA-N 0 1 272.348 2.806 20 30 CFEDMN C=C(C)CN1CCC[C@H](NC(=O)[C@@H]2CCC2(C)C)C1 ZINC001008256408 651145773 /nfs/dbraw/zinc/14/57/73/651145773.db2.gz PHTCVYBJZQIULG-KBPBESRZSA-N 0 1 264.413 2.579 20 30 CFEDMN C[C@@H](NC(=O)[O-])[C@@H]1CCC[N@@H+](CCCC(C)(C)C#N)C1 ZINC000825263202 604233848 /nfs/dbraw/zinc/23/38/48/604233848.db2.gz FNIZDGNFNOCFMA-CHWSQXEVSA-N 0 1 281.400 2.684 20 30 CFEDMN C#CCOc1ccccc1CNc1ccc(C(=O)[O-])c(C)[nH+]1 ZINC000833366513 604460537 /nfs/dbraw/zinc/46/05/37/604460537.db2.gz AMQWAJFDKFDDLX-UHFFFAOYSA-N 0 1 296.326 2.712 20 30 CFEDMN CC(C)[N@@H+](Cc1c[nH]c(C(=O)[O-])c1)Cc1ccc(C#N)cc1 ZINC000833496294 604535278 /nfs/dbraw/zinc/53/52/78/604535278.db2.gz DWJIOTKSFXLBQF-UHFFFAOYSA-N 0 1 297.358 2.995 20 30 CFEDMN C[C@@H]1CC[C@H](C)C[N@@H+]1Cc1cccc(C(=O)[O-])c1C#N ZINC000833602030 604609938 /nfs/dbraw/zinc/60/99/38/604609938.db2.gz HFPLGLXETZAPDK-NWDGAFQWSA-N 0 1 272.348 2.877 20 30 CFEDMN CC(C)(C(=O)[O-])[C@H]1CCC[N@@H+](Cc2ccc(C#N)cc2)C1 ZINC000169106448 604930644 /nfs/dbraw/zinc/93/06/44/604930644.db2.gz ZGRCZTBBUHEPKM-HNNXBMFYSA-N 0 1 286.375 2.881 20 30 CFEDMN C#CCCC[N@@H+]1C[C@@H](C2CCCCC2)C[C@H]1C(=O)[O-] ZINC000833362556 605204597 /nfs/dbraw/zinc/20/45/97/605204597.db2.gz YLMPQNRFNAAMNK-GJZGRUSLSA-N 0 1 263.381 2.755 20 30 CFEDMN C#CCCC[N@@H+]1C[C@@H](C2CCCCC2)C[C@@H]1C(=O)[O-] ZINC000833362558 605205324 /nfs/dbraw/zinc/20/53/24/605205324.db2.gz YLMPQNRFNAAMNK-LSDHHAIUSA-N 0 1 263.381 2.755 20 30 CFEDMN C[C@@]1(C#N)CCC[N@H+](Cc2ccccc2C(=O)[O-])C1 ZINC000833551236 605417466 /nfs/dbraw/zinc/41/74/66/605417466.db2.gz KDBYYJKDIWVDGO-HNNXBMFYSA-N 0 1 258.321 2.510 20 30 CFEDMN C[C@@]1(C#N)CCC[N@@H+](Cc2ccccc2C(=O)[O-])C1 ZINC000833551236 605417470 /nfs/dbraw/zinc/41/74/70/605417470.db2.gz KDBYYJKDIWVDGO-HNNXBMFYSA-N 0 1 258.321 2.510 20 30 CFEDMN C=CC[N@H+](CCc1ccco1)Cc1occc1C(=O)[O-] ZINC000833374698 605477237 /nfs/dbraw/zinc/47/72/37/605477237.db2.gz YPLFJKGWCZYIRR-UHFFFAOYSA-N 0 1 275.304 2.802 20 30 CFEDMN C=CC[N@H+](CCc1ccco1)Cc1ccoc1C(=O)[O-] ZINC000833374151 605477390 /nfs/dbraw/zinc/47/73/90/605477390.db2.gz BAFFFIWRGPNDFK-UHFFFAOYSA-N 0 1 275.304 2.802 20 30 CFEDMN C#CC[N@H+](Cc1cc(C(=O)[O-])ccc1F)C1CCCC1 ZINC000688848105 605837619 /nfs/dbraw/zinc/83/76/19/605837619.db2.gz VUMHDZKMWDUATJ-UHFFFAOYSA-N 0 1 275.323 2.902 20 30 CFEDMN C[C@@H](c1ccc(C#N)cc1)[N@H+]1C[C@@H](CNC(=O)[O-])C[C@H]1C ZINC000833830499 605892691 /nfs/dbraw/zinc/89/26/91/605892691.db2.gz KAXVDIXMPQBUSS-MBNYWOFBSA-N 0 1 287.363 2.597 20 30 CFEDMN C=CCN1CCC[C@@H](NC(=O)C2(C)C(C)(C)C2(C)C)C1 ZINC001009749474 651164280 /nfs/dbraw/zinc/16/42/80/651164280.db2.gz LVZBTPYHVIHFAO-CYBMUJFWSA-N 0 1 278.440 2.825 20 30 CFEDMN O=C(C=Cc1cc(-c2nn[nH]n2)cs1)c1ccccc1O ZINC000822923849 606857710 /nfs/dbraw/zinc/85/77/10/606857710.db2.gz WBICYLWWFYGKDW-AATRIKPKSA-N 0 1 298.327 2.530 20 30 CFEDMN C#CCCN1C[C@@H](NC(=O)c2cc(C)cs2)C(C)(C)C1 ZINC000974555660 613032275 /nfs/dbraw/zinc/03/22/75/613032275.db2.gz BTVBEJLDEBPCGU-CQSZACIVSA-N 0 1 290.432 2.520 20 30 CFEDMN C#CCN(C)[C@@H]1CCN(C(=O)C2CCCCCCC2)C1 ZINC000971915167 613080301 /nfs/dbraw/zinc/08/03/01/613080301.db2.gz RQZDEROYAQXEPK-MRXNPFEDSA-N 0 1 276.424 2.513 20 30 CFEDMN C#CCN(C)[C@@H]1CCN(C(=O)c2cc(C)ccc2C2CC2)C1 ZINC000972006903 613084809 /nfs/dbraw/zinc/08/48/09/613084809.db2.gz VYFIWKOBHOZFMD-MRXNPFEDSA-N 0 1 296.414 2.652 20 30 CFEDMN C#CCN(C)[C@@H]1CCN(C(=O)c2cc3cc(C)ccc3o2)C1 ZINC000980483199 613085433 /nfs/dbraw/zinc/08/54/33/613085433.db2.gz KHQLGPHUTALEPD-OAHLLOKOSA-N 0 1 296.370 2.521 20 30 CFEDMN C#CCN(C)[C@@H]1CCN(C(=O)c2cc3c(cccc3C)o2)C1 ZINC000980511720 613085696 /nfs/dbraw/zinc/08/56/96/613085696.db2.gz SIJXSGWBVIKXEJ-CQSZACIVSA-N 0 1 296.370 2.521 20 30 CFEDMN C#CCN(C)[C@@H]1CCN(C(=O)c2ccc(CC(C)C)cc2)C1 ZINC000980361368 613085914 /nfs/dbraw/zinc/08/59/14/613085914.db2.gz CZPMDSRXQHXRPH-GOSISDBHSA-N 0 1 298.430 2.665 20 30 CFEDMN C#CCN(C)[C@@H]1CCN(C(=O)c2ccccc2CC(C)C)C1 ZINC000980514747 613087001 /nfs/dbraw/zinc/08/70/01/613087001.db2.gz GINWSWRBLZEYLY-QGZVFWFLSA-N 0 1 298.430 2.665 20 30 CFEDMN C#CCN(C)[C@H]1CCN(C(=O)[C@H](C)CC2CCCCC2)C1 ZINC000972458766 613092388 /nfs/dbraw/zinc/09/23/88/613092388.db2.gz VFUYSRPJSMCWNT-WBVHZDCISA-N 0 1 290.451 2.759 20 30 CFEDMN C#CCN(C)[C@H]1CCN(C(=O)[C@@]2(C)CCC(C)=C(C)C2)C1 ZINC000980516025 613092485 /nfs/dbraw/zinc/09/24/85/613092485.db2.gz QPMJCRRPAZJYPJ-WMZOPIPTSA-N 0 1 288.435 2.679 20 30 CFEDMN C#CCN(C)[C@H]1CCN(C(=O)c2ccccc2C(C)C)C1 ZINC000971644087 613095801 /nfs/dbraw/zinc/09/58/01/613095801.db2.gz FIGRYJRUYGNAFN-HNNXBMFYSA-N 0 1 284.403 2.590 20 30 CFEDMN C#CCN1CCCCC[C@@H]1CNC(=O)C1C(C)(C)C1(C)C ZINC000968803963 613145214 /nfs/dbraw/zinc/14/52/14/613145214.db2.gz MSIAJNDTRSHUAU-CQSZACIVSA-N 0 1 290.451 2.663 20 30 CFEDMN C#CCN1CCCCC[C@@H]1CNC(=O)[C@@H]1CC12CCCC2 ZINC000969103139 613145655 /nfs/dbraw/zinc/14/56/55/613145655.db2.gz BMQZOVUIEMLLMA-CVEARBPZSA-N 0 1 288.435 2.561 20 30 CFEDMN C#CCN1CCCCC[C@H]1CNC(=O)c1cc(C)oc1C ZINC000968750739 613149043 /nfs/dbraw/zinc/14/90/43/613149043.db2.gz SISYGFJSWYKFQF-HNNXBMFYSA-N 0 1 288.391 2.504 20 30 CFEDMN C#CCN1CC[C@@H](NC(=O)[C@]2(C)CC=CCC2)C(C)(C)C1 ZINC000940763513 613229743 /nfs/dbraw/zinc/22/97/43/613229743.db2.gz GKSPAYKCPICOEM-CRAIPNDOSA-N 0 1 288.435 2.583 20 30 CFEDMN C#CCN1CC[C@@H](NC(=O)c2cc(C)c(C)s2)C[C@@H]1C ZINC000948011703 613232173 /nfs/dbraw/zinc/23/21/73/613232173.db2.gz KESIBDHKMKKNLS-GXTWGEPZSA-N 0 1 290.432 2.581 20 30 CFEDMN C#CCN1CC[C@@H](NC(=O)c2ccc(CC)s2)C[C@H]1C ZINC000947516786 613235795 /nfs/dbraw/zinc/23/57/95/613235795.db2.gz XJQMARDTMZUOPO-CHWSQXEVSA-N 0 1 290.432 2.526 20 30 CFEDMN C#CCN1CC[C@@H](NC(=O)c2ccccc2CC)C(C)(C)C1 ZINC000940984681 613237792 /nfs/dbraw/zinc/23/77/92/613237792.db2.gz NLWBWQONOBQKBK-QGZVFWFLSA-N 0 1 298.430 2.713 20 30 CFEDMN C#CCN1CC[C@@H](NC(=O)c2ccsc2C)C(C)(C)C1 ZINC000940725710 613240201 /nfs/dbraw/zinc/24/02/01/613240201.db2.gz FQWZEIVBIVEVKK-CQSZACIVSA-N 0 1 290.432 2.520 20 30 CFEDMN C=C(C)C(C)(C)C(=O)N1CCN(CCC(C)C)CC1 ZINC000949635620 613241191 /nfs/dbraw/zinc/24/11/91/613241191.db2.gz FZKYCOISZPFGNB-UHFFFAOYSA-N 0 1 266.429 2.779 20 30 CFEDMN C#CCN1CC[C@@H](NC(=O)c2coc3ccccc23)[C@@H](C)C1 ZINC000945941825 613242812 /nfs/dbraw/zinc/24/28/12/613242812.db2.gz HETHDIXWOGMSGB-XJKSGUPXSA-N 0 1 296.370 2.506 20 30 CFEDMN C=C(C)CCN1CC(N(CC)C(=O)[C@@H]2C[C@@]2(C)CC)C1 ZINC000957067468 613245557 /nfs/dbraw/zinc/24/55/57/613245557.db2.gz LOKKECUBHZWQPW-DOTOQJQBSA-N 0 1 278.440 2.922 20 30 CFEDMN C=C(C)CCN1CC(N(CC)C(=O)[C@H]2CCC2(C)C)C1 ZINC000951205895 613245722 /nfs/dbraw/zinc/24/57/22/613245722.db2.gz QAOHMMCUSQDFJI-OAHLLOKOSA-N 0 1 278.440 2.922 20 30 CFEDMN C=C(C)CCN1CCN(C(=O)C2CCC(=C)CC2)CC1 ZINC000950047200 613256900 /nfs/dbraw/zinc/25/69/00/613256900.db2.gz QVUYNBDRPFYMSH-UHFFFAOYSA-N 0 1 276.424 2.843 20 30 CFEDMN C=C(C)CCN1CCN(C(=O)C2(C)CC(F)(F)C2)CC1 ZINC000957291340 613256921 /nfs/dbraw/zinc/25/69/21/613256921.db2.gz KPPQQFKWWILGGW-UHFFFAOYSA-N 0 1 286.366 2.532 20 30 CFEDMN C=C(C)CCN1CCN(C(=O)[C@@H]2CCCC[C@H]2C)CC1 ZINC000949929987 613258972 /nfs/dbraw/zinc/25/89/72/613258972.db2.gz GQKJTUCATFBHMF-HZPDHXFCSA-N 0 1 278.440 2.923 20 30 CFEDMN C=C(C)CCN1CCN(C(=O)[C@@H]2CCC2(C)C)CC1 ZINC000949763147 613259054 /nfs/dbraw/zinc/25/90/54/613259054.db2.gz QVBLKBPYSHGPPT-AWEZNQCLSA-N 0 1 264.413 2.533 20 30 CFEDMN C=C(C)CCN1CCN(C(=O)[C@@H]2CC[C@@H](C)C2)CC1 ZINC000951176109 613259312 /nfs/dbraw/zinc/25/93/12/613259312.db2.gz DNORDAWJRSGYJE-HUUCEWRRSA-N 0 1 264.413 2.533 20 30 CFEDMN C=C(C)CCN1CCN(C(=O)[C@]2(C)CCC[C@@H]2C)CC1 ZINC000950332952 613260889 /nfs/dbraw/zinc/26/08/89/613260889.db2.gz YJAJAGPMIOKDPZ-DOTOQJQBSA-N 0 1 278.440 2.923 20 30 CFEDMN C=C(C)CCN1CCN(C(=O)c2c[nH]c3ccccc23)CC1 ZINC000949143298 613261085 /nfs/dbraw/zinc/26/10/85/613261085.db2.gz MXTSTLKMTNNECH-UHFFFAOYSA-N 0 1 297.402 2.892 20 30 CFEDMN C=C(C)CCN1CCN(C(=O)c2cc[nH]c2C(C)C)CC1 ZINC000949782581 613261931 /nfs/dbraw/zinc/26/19/31/613261931.db2.gz PEGXQMVGXNKSHA-UHFFFAOYSA-N 0 1 289.423 2.862 20 30 CFEDMN C#CCN1CC[C@H](NC(=O)c2cc(C)c(C)s2)C[C@H]1C ZINC000948011710 613265534 /nfs/dbraw/zinc/26/55/34/613265534.db2.gz KESIBDHKMKKNLS-OCCSQVGLSA-N 0 1 290.432 2.581 20 30 CFEDMN C#CCN1CC[C@H](NC(=O)c2cc(C)cs2)C(C)(C)C1 ZINC000940730778 613265817 /nfs/dbraw/zinc/26/58/17/613265817.db2.gz JSIWJYDMECDQMV-AWEZNQCLSA-N 0 1 290.432 2.520 20 30 CFEDMN C#CCN1CC[C@H](NC(=O)c2ccoc2C(C)C)C[C@H]1C ZINC000948072707 613272909 /nfs/dbraw/zinc/27/29/09/613272909.db2.gz BIHYNRAXUDOVFP-KGLIPLIRSA-N 0 1 288.391 2.619 20 30 CFEDMN C#CCN1CC[C@H](NC(=O)c2ccsc2Cl)C[C@@H]1C ZINC000947778694 613273702 /nfs/dbraw/zinc/27/37/02/613273702.db2.gz IFAJZVPGSIJWNX-QWRGUYRKSA-N 0 1 296.823 2.617 20 30 CFEDMN C#CCN1C[C@H](NC(=O)[C@@H](C)c2ccc(C)cc2)C(C)(C)C1 ZINC000977516918 613297560 /nfs/dbraw/zinc/29/75/60/613297560.db2.gz TUHWWCCKVWYIKV-RDJZCZTQSA-N 0 1 298.430 2.558 20 30 CFEDMN C=C(C)CN1CCCN(C(=O)C2C(C)(C)C2(C)C)CC1 ZINC000980908551 613307635 /nfs/dbraw/zinc/30/76/35/613307635.db2.gz FNANCNKVUMYCPL-UHFFFAOYSA-N 0 1 278.440 2.779 20 30 CFEDMN C=C(C)CN1CCCN(C(=O)C2(C3CC3)CCC2)CC1 ZINC000981697353 613307863 /nfs/dbraw/zinc/30/78/63/613307863.db2.gz DHWHYDOHRFASJU-UHFFFAOYSA-N 0 1 276.424 2.677 20 30 CFEDMN C=C(C)CN1CCCN(C(=O)[C@@H]2CCC[C@@H](C)C2)CC1 ZINC000981844380 613309635 /nfs/dbraw/zinc/30/96/35/613309635.db2.gz CUFCYQJWAKSLPD-HZPDHXFCSA-N 0 1 278.440 2.923 20 30 CFEDMN C=C(C)CN1CCCN(C(=O)[C@@H]2CCCC[C@@H]2C)CC1 ZINC000981844939 613309759 /nfs/dbraw/zinc/30/97/59/613309759.db2.gz HURJNTCFGDMZHY-JKSUJKDBSA-N 0 1 278.440 2.923 20 30 CFEDMN C=C(C)CN1CCCN(C(=O)[C@@H]2CCC[C@H](C)C2)CC1 ZINC000981844381 613309802 /nfs/dbraw/zinc/30/98/02/613309802.db2.gz CUFCYQJWAKSLPD-JKSUJKDBSA-N 0 1 278.440 2.923 20 30 CFEDMN C=C(C)CN1CCCN(C(=O)[C@H]2CCCC23CC3)CC1 ZINC000981442175 613310679 /nfs/dbraw/zinc/31/06/79/613310679.db2.gz JZGTYESUBDGUPH-OAHLLOKOSA-N 0 1 276.424 2.677 20 30 CFEDMN C=C(C)CN1CCCN(C(=O)[C@H]2CCC[C@H]2CC)CC1 ZINC000981895311 613310840 /nfs/dbraw/zinc/31/08/40/613310840.db2.gz MUSLSXKQBRJXJZ-CVEARBPZSA-N 0 1 278.440 2.923 20 30 CFEDMN C=C(C)CN1CCCN(C(=O)[C@H]2CCC(F)(F)C2)CC1 ZINC000981292655 613310957 /nfs/dbraw/zinc/31/09/57/613310957.db2.gz AMSNZYYWHLHKBR-ZDUSSCGKSA-N 0 1 286.366 2.532 20 30 CFEDMN C=C(C)CN1CCCN(C(=O)c2cc(C)c(C)o2)CC1 ZINC000980977782 613311808 /nfs/dbraw/zinc/31/18/08/613311808.db2.gz ULFGLSPLLFQQNG-UHFFFAOYSA-N 0 1 276.380 2.620 20 30 CFEDMN C=C(C)CN1CC[C@@H](C)[C@@H](NC(=O)c2ccoc2C)C1 ZINC000964936111 613324225 /nfs/dbraw/zinc/32/42/25/613324225.db2.gz NEXIZSNXBJNNSM-DOMZBBRYSA-N 0 1 276.380 2.604 20 30 CFEDMN C=C(C)CN1CC[C@H](C)[C@@H](NC(=O)c2cocc2C)C1 ZINC000967707788 613333368 /nfs/dbraw/zinc/33/33/68/613333368.db2.gz LXLXIGBKQGHDLM-WFASDCNBSA-N 0 1 276.380 2.604 20 30 CFEDMN C=C(C)CN1C[C@@H](NC(=O)c2sccc2F)C(C)(C)C1 ZINC000974554542 613338865 /nfs/dbraw/zinc/33/88/65/613338865.db2.gz URNBSSNLTSEJDF-GFCCVEGCSA-N 0 1 296.411 2.904 20 30 CFEDMN C=C(Cl)CN[C@@H]1CCN(C(=O)C(C)=C2CCCC2)C1 ZINC000968395198 613384345 /nfs/dbraw/zinc/38/43/45/613384345.db2.gz VTTFKJUKHIYHTQ-CQSZACIVSA-N 0 1 282.815 2.820 20 30 CFEDMN C=C(Cl)CN[C@@H]1CCN(C(=O)C2(C3CCC3)CCC2)C1 ZINC000969485524 613384437 /nfs/dbraw/zinc/38/44/37/613384437.db2.gz OCESJZSJXSVWHY-CQSZACIVSA-N 0 1 296.842 2.900 20 30 CFEDMN C=C(Cl)CN[C@@H]1CCN(C(=O)C2CCCCC2)C1 ZINC000966470104 613384456 /nfs/dbraw/zinc/38/44/56/613384456.db2.gz PAULVNTYAUGTAS-CYBMUJFWSA-N 0 1 270.804 2.510 20 30 CFEDMN C=C(Cl)CN[C@@H]1CCN(C(=O)Cc2ccsc2C)C1 ZINC000970184157 613384867 /nfs/dbraw/zinc/38/48/67/613384867.db2.gz MRHVJGQZFHEMLW-CYBMUJFWSA-N 0 1 298.839 2.542 20 30 CFEDMN C=C(Cl)CN[C@@H]1CCN(C(=O)[C@H](C)c2cccs2)C1 ZINC000969920432 613385144 /nfs/dbraw/zinc/38/51/44/613385144.db2.gz JBXQFBHLTRDQKK-VXGBXAGGSA-N 0 1 298.839 2.795 20 30 CFEDMN C=C(Cl)CN[C@@H]1CCN(C(=O)[C@@H]2C[C@@H]3C=C[C@H]2CC3)C1 ZINC000968740303 613385164 /nfs/dbraw/zinc/38/51/64/613385164.db2.gz MKUJUJAKJFWIPD-LXTVHRRPSA-N 0 1 294.826 2.532 20 30 CFEDMN C=C(Cl)CN[C@@H]1CCN(C(=O)c2ccc(C)cc2F)C1 ZINC000970076565 613385592 /nfs/dbraw/zinc/38/55/92/613385592.db2.gz BCNDDXXEFWBCJU-GFCCVEGCSA-N 0 1 296.773 2.691 20 30 CFEDMN C=C(Cl)CN[C@@H]1CN(C(=O)C2(C)CC(=C)C2)C[C@H]1C ZINC000939101747 613386301 /nfs/dbraw/zinc/38/63/01/613386301.db2.gz AMWIUHJWNWTWGT-DGCLKSJQSA-N 0 1 282.815 2.532 20 30 CFEDMN C=C1CC(C)(C(=O)N2CCN(C[C@@H](C)CC)CC2)C1 ZINC000950373186 613393666 /nfs/dbraw/zinc/39/36/66/613393666.db2.gz KEMCDOWTORFVQI-ZDUSSCGKSA-N 0 1 264.413 2.533 20 30 CFEDMN C=CCCN1CCN(C(=O)[C@@H]2CCc3ccccc3C2)CC1 ZINC000950721479 613507162 /nfs/dbraw/zinc/50/71/62/613507162.db2.gz NSYAQWJADIJPLS-GOSISDBHSA-N 0 1 298.430 2.512 20 30 CFEDMN C=CCCN1CCN(C(=O)c2ccc3ccncc3c2)CC1 ZINC000957089020 613510695 /nfs/dbraw/zinc/51/06/95/613510695.db2.gz ZOPCJDBSQZFOSQ-UHFFFAOYSA-N 0 1 295.386 2.569 20 30 CFEDMN C=CCCN1CCN(C(=O)c2cccc(C(F)F)c2)CC1 ZINC000957406742 613510836 /nfs/dbraw/zinc/51/08/36/613510836.db2.gz KZHWWWHCPSXOIM-UHFFFAOYSA-N 0 1 294.345 2.958 20 30 CFEDMN CC#CCN1CC([C@@H](C)NC(=O)C2CCC(C)(C)CC2)C1 ZINC000970947543 613529920 /nfs/dbraw/zinc/52/99/20/613529920.db2.gz LXCWZVZIVGIYDG-CQSZACIVSA-N 0 1 290.451 2.663 20 30 CFEDMN CC#CCN1CC([C@H](C)NC(=O)[C@@H]2C[C@H]2CC(C)(C)C)C1 ZINC000969707461 613536217 /nfs/dbraw/zinc/53/62/17/613536217.db2.gz VPMASHPQGJRQJL-OFQRWUPVSA-N 0 1 290.451 2.519 20 30 CFEDMN CC#CCN1CC([C@H](C)NC(=O)c2ccccc2C(C)C)C1 ZINC000969792068 613539034 /nfs/dbraw/zinc/53/90/34/613539034.db2.gz GHWPQZKLXDKRCN-HNNXBMFYSA-N 0 1 298.430 2.883 20 30 CFEDMN CC#CCN1CCCC2(CN(C(=O)C3(C)CCCC3)C2)C1 ZINC000981922264 613540866 /nfs/dbraw/zinc/54/08/66/613540866.db2.gz OHDMLXGQALHQPS-UHFFFAOYSA-N 0 1 288.435 2.514 20 30 CFEDMN CC#CCN1CC[C@@H](NC(=O)c2occc2Cl)C[C@@H]1C ZINC000947686405 613589793 /nfs/dbraw/zinc/58/97/93/613589793.db2.gz XVYVPQQMYXHIFN-NWDGAFQWSA-N 0 1 294.782 2.539 20 30 CFEDMN CC#CCN1CC[C@H](C)[C@@H](NC(=O)CC2CC(C)(C)C2)C1 ZINC000967997850 613590805 /nfs/dbraw/zinc/59/08/05/613590805.db2.gz WQQUBHMACGEXOF-HOCLYGCPSA-N 0 1 290.451 2.663 20 30 CFEDMN CC#CCN1CC[C@H](C)[C@@H](NC(=O)c2ccc(C)cc2C)C1 ZINC000968601329 613591257 /nfs/dbraw/zinc/59/12/57/613591257.db2.gz BKKPAESCTONSES-YJBOKZPZSA-N 0 1 298.430 2.767 20 30 CFEDMN CC#CCN1C[C@@H](NC(=O)[C@]2(C)CC=CCC2)C(C)(C)C1 ZINC000974626254 613609942 /nfs/dbraw/zinc/60/99/42/613609942.db2.gz YEOKJGMCDKWZNO-CRAIPNDOSA-N 0 1 288.435 2.583 20 30 CFEDMN CC#CCN1C[C@@H](NC(=O)[C@H]2CCC(C)(C)C2)C(C)(C)C1 ZINC000975013330 613610052 /nfs/dbraw/zinc/61/00/52/613610052.db2.gz ALMFJYFZHAAMHP-LSDHHAIUSA-N 0 1 290.451 2.663 20 30 CFEDMN C=CCN1CC([C@@H](C)NC(=O)C2CCCCCC2)C1 ZINC000969370991 613661895 /nfs/dbraw/zinc/66/18/95/613661895.db2.gz BVHOFHSSKCQPMI-CYBMUJFWSA-N 0 1 264.413 2.579 20 30 CFEDMN C=CCN1CC([C@@H](C)NC(=O)c2cc(C)c(CC)s2)C1 ZINC000970850592 613664024 /nfs/dbraw/zinc/66/40/24/613664024.db2.gz DOWKEJNMUQZIKF-GFCCVEGCSA-N 0 1 292.448 2.855 20 30 CFEDMN C=CCN1CC([C@@H](C)NC(=O)c2cc(C)sc2C)C1 ZINC000970083923 613664270 /nfs/dbraw/zinc/66/42/70/613664270.db2.gz SPIODELPIALFOF-LLVKDONJSA-N 0 1 278.421 2.601 20 30 CFEDMN C=CCN1CC([C@@H](C)NC(=O)c2cc3occc3s2)C1 ZINC000970413949 613664943 /nfs/dbraw/zinc/66/49/43/613664943.db2.gz HLNYKQYCNJMYAL-SNVBAGLBSA-N 0 1 290.388 2.730 20 30 CFEDMN C=CCN1CC([C@H](C)NC(=O)[C@H]2CCCC(C)(C)C2)C1 ZINC000970947295 613669201 /nfs/dbraw/zinc/66/92/01/613669201.db2.gz IPFHDGKHIREACP-KBPBESRZSA-N 0 1 278.440 2.825 20 30 CFEDMN C=CCN1CC([C@H](C)NC(=O)c2ccc(C)cc2Cl)C1 ZINC000970464884 613671371 /nfs/dbraw/zinc/67/13/71/613671371.db2.gz NOSVRWCHYCVTKF-LBPRGKRZSA-N 0 1 292.810 2.885 20 30 CFEDMN C=CCN1CC([C@H](C)NC(=O)c2ccc(Cl)s2)C1 ZINC000970841703 613671490 /nfs/dbraw/zinc/67/14/90/613671490.db2.gz PKVXUFZWKMAGBN-VIFPVBQESA-N 0 1 284.812 2.638 20 30 CFEDMN C=CCN1CCCCC[C@@H]1CNC(=O)c1cnc(C)s1 ZINC000968782307 613684804 /nfs/dbraw/zinc/68/48/04/613684804.db2.gz VOOVNPLUXKDNKO-CYBMUJFWSA-N 0 1 293.436 2.612 20 30 CFEDMN C=CCN1CCCN(C(=O)C(C)(C)C(C)(C)C)CC1 ZINC000981746700 613687776 /nfs/dbraw/zinc/68/77/76/613687776.db2.gz LUCBZYAYNUQRIJ-UHFFFAOYSA-N 0 1 266.429 2.779 20 30 CFEDMN C=CCN1CCCN(C(=O)C[C@@H]2CCCC2(F)F)CC1 ZINC000981821873 613689001 /nfs/dbraw/zinc/68/90/01/613689001.db2.gz TWHBZCCGRUETBC-ZDUSSCGKSA-N 0 1 286.366 2.532 20 30 CFEDMN C=CCN1CCCN(C(=O)Cc2ccccc2CC)CC1 ZINC000981432922 613689804 /nfs/dbraw/zinc/68/98/04/613689804.db2.gz JJGDFWUJBSOTKT-UHFFFAOYSA-N 0 1 286.419 2.512 20 30 CFEDMN C=CCN1CCCN(C(=O)[C@@H](C)c2ccsc2)CC1 ZINC000981944466 613690940 /nfs/dbraw/zinc/69/09/40/613690940.db2.gz MLXQYVJOGRUATR-ZDUSSCGKSA-N 0 1 278.421 2.572 20 30 CFEDMN C=CCN1CCCN(C(=O)[C@@H]2C[C@H]2c2ccccc2C)CC1 ZINC000982165734 613692890 /nfs/dbraw/zinc/69/28/90/613692890.db2.gz RHBRCAWWMVBGBK-ZWKOTPCHSA-N 0 1 298.430 2.819 20 30 CFEDMN C=CCN1CCCN(C(=O)[C@]2(C)CCC[C@H]2CC)CC1 ZINC000981451243 613695281 /nfs/dbraw/zinc/69/52/81/613695281.db2.gz QYYLVEGPHZZPMM-NVXWUHKLSA-N 0 1 278.440 2.923 20 30 CFEDMN C=CCN1CCCN(C(=O)c2ccccc2CC)CC1 ZINC000981834605 613698169 /nfs/dbraw/zinc/69/81/69/613698169.db2.gz KSJSMAMXPJNZDI-UHFFFAOYSA-N 0 1 272.392 2.583 20 30 CFEDMN C=CCN1CC[C@@H](C)[C@@H](NC(=O)C2CC3(CCC3)C2)C1 ZINC000967707074 613727123 /nfs/dbraw/zinc/72/71/23/613727123.db2.gz CHMSRZMJWABBEV-HIFRSBDPSA-N 0 1 276.424 2.579 20 30 CFEDMN C=CCN1CC[C@@H](C)[C@@H](NC(=O)C2(c3ccccc3)CC2)C1 ZINC000968615132 613727328 /nfs/dbraw/zinc/72/73/28/613727328.db2.gz SESSBROINCELIG-WBVHZDCISA-N 0 1 298.430 2.731 20 30 CFEDMN C=CCN1CC[C@@H](C)[C@@H](NC(=O)c2ccc(C3CC3)cn2)C1 ZINC000968598894 613729848 /nfs/dbraw/zinc/72/98/48/613729848.db2.gz NGCYYNGOTKIYGR-DYVFJYSZSA-N 0 1 299.418 2.585 20 30 CFEDMN C=CCN1CC[C@@H](C)[C@H](NC(=O)CC2=CCCCC2)C1 ZINC000965601636 613732807 /nfs/dbraw/zinc/73/28/07/613732807.db2.gz XRZRSRRAGSMYAU-GDBMZVCRSA-N 0 1 276.424 2.890 20 30 CFEDMN C=CCN1CC[C@@H](C)[C@H](NC(=O)C2CCCCCC2)C1 ZINC000965562729 613733114 /nfs/dbraw/zinc/73/31/14/613733114.db2.gz UVGUCYDLGXUVKY-GDBMZVCRSA-N 0 1 278.440 2.969 20 30 CFEDMN C=CCN1CC[C@@H](C)[C@H](NC(=O)c2coc(C(F)F)c2)C1 ZINC000968056017 613736249 /nfs/dbraw/zinc/73/62/49/613736249.db2.gz IANKRKOYQNWZIC-ZYHUDNBSSA-N 0 1 298.333 2.843 20 30 CFEDMN C=CCN1CC[C@H](C)[C@@H](NC(=O)c2ccc(Cl)o2)C1 ZINC000965177052 613768686 /nfs/dbraw/zinc/76/86/86/613768686.db2.gz KTJMZQIAHCBBFC-QWRGUYRKSA-N 0 1 282.771 2.559 20 30 CFEDMN C=CCN1CC[C@H](C)[C@@H](NC(=O)c2ccc(F)c(C)c2)C1 ZINC000968060672 613769821 /nfs/dbraw/zinc/76/98/21/613769821.db2.gz PXAXDWYHFUHYAR-LRDDRELGSA-N 0 1 290.382 2.760 20 30 CFEDMN C=CCN1CC[C@H](C)[C@@H](NC(=O)c2coc(C(F)F)c2)C1 ZINC000968056014 613770197 /nfs/dbraw/zinc/77/01/97/613770197.db2.gz IANKRKOYQNWZIC-JQWIXIFHSA-N 0 1 298.333 2.843 20 30 CFEDMN C=CCN1CC[C@H](C)[C@@H](NC(=O)c2cscc2C)C1 ZINC000965862854 613771430 /nfs/dbraw/zinc/77/14/30/613771430.db2.gz QKWSFTNDYXGSJD-FZMZJTMJSA-N 0 1 278.421 2.683 20 30 CFEDMN C=CCN1CC[C@H](C)[C@H](NC(=O)C2(F)CCCCC2)C1 ZINC000968506584 613772020 /nfs/dbraw/zinc/77/20/20/613772020.db2.gz UWGTZXIWZUQTDI-UONOGXRCSA-N 0 1 282.403 2.671 20 30 CFEDMN C=CCN1CC[C@H](C)[C@H](NC(=O)c2cc3ccccn3c2)C1 ZINC000968381721 613773192 /nfs/dbraw/zinc/77/31/92/613773192.db2.gz GFAFWEPRXKEWRM-WMLDXEAASA-N 0 1 297.402 2.566 20 30 CFEDMN C=CCN1C[C@@H](NC(=O)C2=CCCCCC2)C(C)(C)C1 ZINC000974493444 613806186 /nfs/dbraw/zinc/80/61/86/613806186.db2.gz PXPPIYXRLPFVKM-OAHLLOKOSA-N 0 1 276.424 2.890 20 30 CFEDMN C=CCN1C[C@@H](NC(=O)[C@@H]2CCCC23CC3)C(C)(C)C1 ZINC000974739572 613807823 /nfs/dbraw/zinc/80/78/23/613807823.db2.gz KFWPNINUVWAXSC-UONOGXRCSA-N 0 1 276.424 2.579 20 30 CFEDMN C=CCN1C[C@@H](NC(=O)c2ccc(F)cc2F)C(C)(C)C1 ZINC000977554981 613810167 /nfs/dbraw/zinc/81/01/67/613810167.db2.gz UIYKTLUDKSIPEU-CQSZACIVSA-N 0 1 294.345 2.591 20 30 CFEDMN C=CCN1C[C@@H](NC(=O)c2cc[nH]c2CCC)C(C)(C)C1 ZINC000974954666 613810284 /nfs/dbraw/zinc/81/02/84/613810284.db2.gz MJTSNZXZJXBFGT-OAHLLOKOSA-N 0 1 289.423 2.593 20 30 CFEDMN C=CCN1C[C@@H](NC(=O)c2ccoc2CCC)C(C)(C)C1 ZINC000977461600 613811063 /nfs/dbraw/zinc/81/10/63/613811063.db2.gz KYPLAXZFKYFYFV-OAHLLOKOSA-N 0 1 290.407 2.858 20 30 CFEDMN C=CCN1C[C@@H](NC(=O)c2ccsc2C)C(C)(C)C1 ZINC000974565819 613811519 /nfs/dbraw/zinc/81/15/19/613811519.db2.gz YIGUWVASQFFXSZ-CYBMUJFWSA-N 0 1 278.421 2.683 20 30 CFEDMN C=CCN1C[C@@H](NC(=O)c2oc(CC)cc2C)C(C)(C)C1 ZINC000977455719 613812399 /nfs/dbraw/zinc/81/23/99/613812399.db2.gz TZYDWHWIENCTEY-CQSZACIVSA-N 0 1 290.407 2.777 20 30 CFEDMN C=CCN1C[C@@H](NC(=O)c2csc(C)c2)C(C)(C)C1 ZINC000977351258 613812811 /nfs/dbraw/zinc/81/28/11/613812811.db2.gz SDVKWAVXURZNAI-CYBMUJFWSA-N 0 1 278.421 2.683 20 30 CFEDMN C=CCN1C[C@H](NC(=O)C2CC3(CCC3)C2)C(C)(C)C1 ZINC000974906068 613826552 /nfs/dbraw/zinc/82/65/52/613826552.db2.gz VXIKVIGQROALIR-AWEZNQCLSA-N 0 1 276.424 2.579 20 30 CFEDMN C=CCN1C[C@H](NC(=O)c2cccc(C)c2F)C(C)(C)C1 ZINC000974629921 613829069 /nfs/dbraw/zinc/82/90/69/613829069.db2.gz LGZACRKFCSEUGR-AWEZNQCLSA-N 0 1 290.382 2.760 20 30 CFEDMN C=CCN1C[C@H](NC(=O)c2ccc3cc[nH]c3c2)C(C)(C)C1 ZINC000975081469 613829120 /nfs/dbraw/zinc/82/91/20/613829120.db2.gz HUZUWHFEBCOYDH-INIZCTEOSA-N 0 1 297.402 2.794 20 30 CFEDMN CC(C)C(=O)N[C@@H]1CN(Cc2ccc(C#N)cc2)CC1(C)C ZINC000972820463 613937065 /nfs/dbraw/zinc/93/70/65/613937065.db2.gz CPEBWXZFMHORNH-MRXNPFEDSA-N 0 1 299.418 2.541 20 30 CFEDMN Cc1[nH]ncc1CNC(=O)Nc1ccc(C#N)cc1C1CC1 ZINC000933837273 617792101 /nfs/dbraw/zinc/79/21/01/617792101.db2.gz RTASXBLMEMSZLI-UHFFFAOYSA-N 0 1 295.346 2.789 20 30 CFEDMN CC#CC[N@H+]1CC[C@@H]2[C@H](CCCN2C(=O)C2CCCC2)C1 ZINC001021493751 618028288 /nfs/dbraw/zinc/02/82/88/618028288.db2.gz VWMUCHDCOJTSQJ-IAGOWNOFSA-N 0 1 288.435 2.513 20 30 CFEDMN C#CCN(Cc1cnc(OC)c(Cl)c1)C(C)C ZINC000932387167 617714021 /nfs/dbraw/zinc/71/40/21/617714021.db2.gz ABMXHSNQXQFAHH-UHFFFAOYSA-N 0 1 252.745 2.587 20 30 CFEDMN CC(C)N(CCC#N)Cc1ncc(Br)cc1O ZINC000891696187 617715240 /nfs/dbraw/zinc/71/52/40/617715240.db2.gz KXUQCMVUABDREN-UHFFFAOYSA-N 0 1 298.184 2.674 20 30 CFEDMN O=C1C=COC2(CCN(CCc3ccccc3F)CC2)C1 ZINC000933646376 617739632 /nfs/dbraw/zinc/73/96/32/617739632.db2.gz IVKMEONGCFOUMB-UHFFFAOYSA-N 0 1 289.350 2.706 20 30 CFEDMN Cn1nccc1[C@@H]1CCCN(Cc2csc(C#N)c2)C1 ZINC000891754432 617740186 /nfs/dbraw/zinc/74/01/86/617740186.db2.gz NFPDSRFKTUZZPT-CYBMUJFWSA-N 0 1 286.404 2.733 20 30 CFEDMN N#Cc1cc(CN2CCC(n3ccnc3)CC2)cs1 ZINC000891842426 617782320 /nfs/dbraw/zinc/78/23/20/617782320.db2.gz MOTZHGPJIIGXPM-UHFFFAOYSA-N 0 1 272.377 2.653 20 30 CFEDMN C=CCC[C@@H](NC(=O)Cc1cnc[nH]1)c1ccccc1 ZINC000901151239 620757663 /nfs/dbraw/zinc/75/76/63/620757663.db2.gz WJPZGDNAXIICQU-OAHLLOKOSA-N 0 1 269.348 2.776 20 30 CFEDMN C=CCC[C@H](NC(=O)Cc1cnc[nH]1)c1ccccc1 ZINC000901151237 620757724 /nfs/dbraw/zinc/75/77/24/620757724.db2.gz WJPZGDNAXIICQU-HNNXBMFYSA-N 0 1 269.348 2.776 20 30 CFEDMN C[C@@H](N[C@@H]1CCc2cc(C#N)ccc21)c1ccnnc1 ZINC000926318157 617894302 /nfs/dbraw/zinc/89/43/02/617894302.db2.gz UZFORJQYWQEKAR-BDJLRTHQSA-N 0 1 264.332 2.686 20 30 CFEDMN Cc1nn(C(C)C)c(C)c1C=NNc1cc(C)nc(C)n1 ZINC000901169646 620760734 /nfs/dbraw/zinc/76/07/34/620760734.db2.gz IRTGESXIUWBATO-UHFFFAOYSA-N 0 1 286.383 2.934 20 30 CFEDMN Cc1cc(NN=Cc2cnn(CC3CCC3)c2)nc(C)n1 ZINC000901169428 620760844 /nfs/dbraw/zinc/76/08/44/620760844.db2.gz DCFXRLPMPZIYHM-UHFFFAOYSA-N 0 1 284.367 2.536 20 30 CFEDMN CS[C@@H]1CCCC(=NNCCN2CCCCC2)C1 ZINC000901169800 620760919 /nfs/dbraw/zinc/76/09/19/620760919.db2.gz OJSBVLOYFZUJRM-CQSZACIVSA-N 0 1 269.458 2.724 20 30 CFEDMN C[C@H](NCC1(CC#N)CC1)c1cn2c(n1)CCCC2 ZINC000926347194 617945035 /nfs/dbraw/zinc/94/50/35/617945035.db2.gz XOMFABDLYJEUQQ-LBPRGKRZSA-N 0 1 258.369 2.564 20 30 CFEDMN CCn1nccc1/C=C\C(=O)c1ccc(C)cc1O ZINC000255162447 618023762 /nfs/dbraw/zinc/02/37/62/618023762.db2.gz QQKOXIQRDFCMLK-ALCCZGGFSA-N 0 1 256.305 2.813 20 30 CFEDMN Cc1nc(Br)c(C=NOC/C=C\Cl)[nH]1 ZINC000901244373 620771019 /nfs/dbraw/zinc/77/10/19/620771019.db2.gz UBFBWYCKMRMLKW-PIGNKOMNSA-N 0 1 278.537 2.584 20 30 CFEDMN C=CC[C@H]1CCN1[C@@H]1CCN(c2ccc(F)cc2)C1=O ZINC000934459822 618040370 /nfs/dbraw/zinc/04/03/70/618040370.db2.gz MCFLUBOHBDLQFW-DZGCQCFKSA-N 0 1 274.339 2.581 20 30 CFEDMN C=CC[C@H]1CCN1Cc1ccc(C(=O)OC)c(F)c1 ZINC000934465592 618043712 /nfs/dbraw/zinc/04/37/12/618043712.db2.gz MUZLRSIHRCPPRZ-LBPRGKRZSA-N 0 1 263.312 2.763 20 30 CFEDMN C=CC[C@H]1CCN1[C@@H](C)C(=O)N(C)Cc1cccc(F)c1 ZINC000934470137 618046220 /nfs/dbraw/zinc/04/62/20/618046220.db2.gz BJQILOYPWZHCLZ-BBRMVZONSA-N 0 1 290.382 2.823 20 30 CFEDMN C=CC[C@@H]1CCN1[C@H](C)C(=O)N1C[C@H](C)C[C@H](C)C1 ZINC000934472350 618047999 /nfs/dbraw/zinc/04/79/99/618047999.db2.gz MAWBGHXUMOFELC-LXTVHRRPSA-N 0 1 264.413 2.530 20 30 CFEDMN C#CCCCCNC(=O)c1ccc(CN2CCCCC2)o1 ZINC000934596577 618087982 /nfs/dbraw/zinc/08/79/82/618087982.db2.gz WZKNPBVYUHPDQI-UHFFFAOYSA-N 0 1 288.391 2.799 20 30 CFEDMN Cc1nc(-c2ccccc2)[nH]c1C(=O)OC(C)(C)C#N ZINC000779222933 618115093 /nfs/dbraw/zinc/11/50/93/618115093.db2.gz FQAMMTNJBHMFGM-UHFFFAOYSA-N 0 1 269.304 2.844 20 30 CFEDMN O=C(/C=C\c1cc(O)ccc1[N+](=O)[O-])c1cccc(O)c1 ZINC000255558895 618118492 /nfs/dbraw/zinc/11/84/92/618118492.db2.gz XVOYKZMNOFCMIP-DAXSKMNVSA-N 0 1 285.255 2.902 20 30 CFEDMN O=C(/C=C\c1cc(O)ccc1[N+](=O)[O-])c1ccco1 ZINC000255252291 618149243 /nfs/dbraw/zinc/14/92/43/618149243.db2.gz MINZZQYCUWGRES-UTCJRWHESA-N 0 1 259.217 2.790 20 30 CFEDMN CN1CCN(c2ccc(N=Cc3ccccc3O)cc2)CC1 ZINC000255569372 618163257 /nfs/dbraw/zinc/16/32/57/618163257.db2.gz CQWJYLHQXHORSU-UHFFFAOYSA-N 0 1 295.386 2.895 20 30 CFEDMN Cc1nn(C)c2ncc(/C=C\C(=O)c3ccccc3O)cc12 ZINC000255330270 618203334 /nfs/dbraw/zinc/20/33/34/618203334.db2.gz RIBPCQDMAFBPJF-FPLPWBNLSA-N 0 1 293.326 2.878 20 30 CFEDMN N#Cc1ccc(O)c(NC(=O)c2cccc(F)c2)c1 ZINC000176827183 618207479 /nfs/dbraw/zinc/20/74/79/618207479.db2.gz YLUUMFGDQORTEN-UHFFFAOYSA-N 0 1 256.236 2.655 20 30 CFEDMN C=C(Br)CNC1([C@H]2CCCCO2)CC1 ZINC000933377370 618214497 /nfs/dbraw/zinc/21/44/97/618214497.db2.gz IGOKKUXAAQSLQW-SNVBAGLBSA-N 0 1 260.175 2.586 20 30 CFEDMN Cc1nc(F)ccc1C=NNc1nccnc1C(C)C ZINC000782285686 618218536 /nfs/dbraw/zinc/21/85/36/618218536.db2.gz RVFSIGXXTYDMDS-UHFFFAOYSA-N 0 1 273.315 2.889 20 30 CFEDMN C=CCN(CCOC)Cc1ccc(CC(C)C)nc1 ZINC000893992200 618261132 /nfs/dbraw/zinc/26/11/32/618261132.db2.gz JEXZUVGHVUQHNF-UHFFFAOYSA-N 0 1 262.397 2.915 20 30 CFEDMN C=C(Cl)C[N@@H+]1CC[C@@H](CN(CC)CC(F)(F)F)C1 ZINC000177045043 618266044 /nfs/dbraw/zinc/26/60/44/618266044.db2.gz DIIRBJVSQDUIDS-NSHDSACASA-N 0 1 284.753 2.945 20 30 CFEDMN C=C(Cl)CN1CC[C@@H](CN(CC)CC(F)(F)F)C1 ZINC000177045043 618266046 /nfs/dbraw/zinc/26/60/46/618266046.db2.gz DIIRBJVSQDUIDS-NSHDSACASA-N 0 1 284.753 2.945 20 30 CFEDMN Cc1nc(Cl)ccc1C(=O)Nc1cc(C#N)ccc1O ZINC000162356755 618272396 /nfs/dbraw/zinc/27/23/96/618272396.db2.gz STLVNZUHWPJOSV-UHFFFAOYSA-N 0 1 287.706 2.873 20 30 CFEDMN C#C[C@H](N[C@@H]1CCCc2sccc21)[C@@H]1CCCO1 ZINC000775574535 618280799 /nfs/dbraw/zinc/28/07/99/618280799.db2.gz PYIQXMZGFGRNSZ-MJBXVCDLSA-N 0 1 261.390 2.896 20 30 CFEDMN C=C(C)C[N@H+]1CCCC[C@@H]1CNC(=O)c1cccc(F)c1 ZINC001024308316 618291239 /nfs/dbraw/zinc/29/12/39/618291239.db2.gz DUIJXUUROZHXKJ-MRXNPFEDSA-N 0 1 290.382 2.986 20 30 CFEDMN CN1CCN(c2nc(C#N)c(Cl)s2)C[C@H]1C(C)(C)C ZINC000895102526 618294527 /nfs/dbraw/zinc/29/45/27/618294527.db2.gz WYYJMMBUIZLBRU-JTQLQIEISA-N 0 1 298.843 2.835 20 30 CFEDMN CC#CCN1CCCC[C@@H]1CNC(=O)C1CCCCCC1 ZINC001024359371 618301579 /nfs/dbraw/zinc/30/15/79/618301579.db2.gz XJQALVPHEPOFON-QGZVFWFLSA-N 0 1 290.451 2.951 20 30 CFEDMN C=CCN1CCCC[C@H]1CNC(=O)C1CC(C)(C)C1 ZINC001024426147 618312499 /nfs/dbraw/zinc/31/24/99/618312499.db2.gz VHEUJRDVNHNWGQ-AWEZNQCLSA-N 0 1 264.413 2.579 20 30 CFEDMN C#CCN1CCCC[C@H]1CNC(=O)[C@@H]1CCC(C)=C(C)C1 ZINC001024455012 618319066 /nfs/dbraw/zinc/31/90/66/618319066.db2.gz IXTXJFXAGZKJGL-SJORKVTESA-N 0 1 288.435 2.727 20 30 CFEDMN C=CC[N@@H+](CC(=O)[O-])Cc1ccc(C)c(Br)c1 ZINC000097902229 618320443 /nfs/dbraw/zinc/32/04/43/618320443.db2.gz ZXVWXMSSBJTOJI-UHFFFAOYSA-N 0 1 298.180 2.830 20 30 CFEDMN C=CCN1CCCC[C@@H]1CNC(=O)c1cc(F)ccc1F ZINC001024481120 618329065 /nfs/dbraw/zinc/32/90/65/618329065.db2.gz SWNLNVIPHJSJJU-CYBMUJFWSA-N 0 1 294.345 2.735 20 30 CFEDMN C=CCN1CCCC[C@H]1CNC(=O)c1conc1C(C)C ZINC001024479992 618329999 /nfs/dbraw/zinc/32/99/99/618329999.db2.gz WBFPJMZVCZMKNZ-ZDUSSCGKSA-N 0 1 291.395 2.568 20 30 CFEDMN CCOc1ccccc1C(=O)Nc1cc(C#N)ccc1O ZINC000179737660 618343629 /nfs/dbraw/zinc/34/36/29/618343629.db2.gz CUHBJPDCZGEZBL-UHFFFAOYSA-N 0 1 282.299 2.915 20 30 CFEDMN C=CC(C)(C)CCCNC(=O)c1oc(CN)cc1C ZINC000877303641 618349369 /nfs/dbraw/zinc/34/93/69/618349369.db2.gz LBQIMMLJTVQBGR-UHFFFAOYSA-N 0 1 264.369 2.769 20 30 CFEDMN C=C(C)CN1CCC[C@H](NC(=O)[C@]23C[C@H]2CCCC3)C1 ZINC001008435180 618351737 /nfs/dbraw/zinc/35/17/37/618351737.db2.gz ZJTWNUWPWGBIBI-HLLBOEOZSA-N 0 1 276.424 2.723 20 30 CFEDMN COc1cc(C)cc(CNCC2(C#N)CCCC2)c1O ZINC000895134055 618359818 /nfs/dbraw/zinc/35/98/18/618359818.db2.gz UPFKLIKBVMEWPY-UHFFFAOYSA-N 0 1 274.364 2.883 20 30 CFEDMN C#CC[C@H](N[C@H](C)c1ccnnc1)c1ccccc1 ZINC000925636226 618369477 /nfs/dbraw/zinc/36/94/77/618369477.db2.gz BEPYQLUCNTZCKA-CJNGLKHVSA-N 0 1 251.333 2.892 20 30 CFEDMN C=CCN1CCCC[C@H]1CNC(=O)c1occ2c1CCC2 ZINC001024574982 618389542 /nfs/dbraw/zinc/38/95/42/618389542.db2.gz GMLYBIWEBIGUNH-AWEZNQCLSA-N 0 1 288.391 2.539 20 30 CFEDMN CC(C)NC(=O)C(C#N)C(=O)CC[C@H]1CCc2ccccc21 ZINC000892502143 618401192 /nfs/dbraw/zinc/40/11/92/618401192.db2.gz WFONIYWEGKIXGX-ZBFHGGJFSA-N 0 1 298.386 2.730 20 30 CFEDMN O=C1[C@H](NCc2ccc(-c3ccccc3)cc2)CCCN1O ZINC000895164670 618414837 /nfs/dbraw/zinc/41/48/37/618414837.db2.gz GDNHMQSACWVWKC-QGZVFWFLSA-N 0 1 296.370 2.823 20 30 CFEDMN C=CCN1CCCC[C@@H]1CNC(=O)c1cccc(F)c1F ZINC001024621355 618423756 /nfs/dbraw/zinc/42/37/56/618423756.db2.gz LBORTUBDGZPOBY-GFCCVEGCSA-N 0 1 294.345 2.735 20 30 CFEDMN C=CCN1CCCC[C@H]1CNC(=O)[C@H]1CCC(C)(C)C1 ZINC001024633067 618426681 /nfs/dbraw/zinc/42/66/81/618426681.db2.gz FBXLQOOTAFJNJI-GJZGRUSLSA-N 0 1 278.440 2.969 20 30 CFEDMN C=CCN1CCCC[C@H]1CNC(=O)c1occc1CC ZINC001024635426 618426834 /nfs/dbraw/zinc/42/68/34/618426834.db2.gz BDQXXPBIRXFDPN-AWEZNQCLSA-N 0 1 276.380 2.612 20 30 CFEDMN CSCCON=Cc1ccc(N(C)C(C)C)nc1 ZINC000794574773 618436355 /nfs/dbraw/zinc/43/63/55/618436355.db2.gz OYYLUNKZEKMBQO-UHFFFAOYSA-N 0 1 267.398 2.640 20 30 CFEDMN C=CC[N@H+]1CCCC[C@H]1CNC(=O)c1cc2ccccn2c1 ZINC001024689170 618443365 /nfs/dbraw/zinc/44/33/65/618443365.db2.gz AXCHWOCOYMDKGS-KRWDZBQOSA-N 0 1 297.402 2.710 20 30 CFEDMN C=CCN1CCCC[C@H]1CNC(=O)c1cc2ccccn2c1 ZINC001024689170 618443371 /nfs/dbraw/zinc/44/33/71/618443371.db2.gz AXCHWOCOYMDKGS-KRWDZBQOSA-N 0 1 297.402 2.710 20 30 CFEDMN C=CCN1CCCC[C@@H]1CNC(=O)c1cc(C(C)C)no1 ZINC001024691045 618445349 /nfs/dbraw/zinc/44/53/49/618445349.db2.gz PDGYAPJSKIKYIY-CYBMUJFWSA-N 0 1 291.395 2.568 20 30 CFEDMN C#C[C@H]1CCC[N@H+](Cc2cc(F)cc(F)c2[O-])C1 ZINC000895184998 618447822 /nfs/dbraw/zinc/44/78/22/618447822.db2.gz YXSQWTRRSAZODM-JTQLQIEISA-N 0 1 251.276 2.516 20 30 CFEDMN CC1(C)C(C(=O)C(C#N)C(=O)NCc2ccccc2)C1(C)C ZINC000177596870 618456500 /nfs/dbraw/zinc/45/65/00/618456500.db2.gz HIAFIJVXGURALL-ZDUSSCGKSA-N 0 1 298.386 2.694 20 30 CFEDMN C=CCN1CCCC[C@H]1CNC(=O)c1csc(Cl)n1 ZINC001024745386 618459958 /nfs/dbraw/zinc/45/99/58/618459958.db2.gz VVGWJHXWFHIMMI-JTQLQIEISA-N 0 1 299.827 2.567 20 30 CFEDMN C=CCNC(=O)C(C#N)C(=O)C[C@H](C)C1CCCCC1 ZINC000726321720 618462858 /nfs/dbraw/zinc/46/28/58/618462858.db2.gz ORPSOLBFYMCEJU-GXTWGEPZSA-N 0 1 276.380 2.604 20 30 CFEDMN CC#CCN1CCCC[C@@H]1CNC(=O)[C@H]1CC[C@H](C)CC1 ZINC001024770966 618465919 /nfs/dbraw/zinc/46/59/19/618465919.db2.gz ALDJEIPREUTTTP-BRWVUGGUSA-N 0 1 290.451 2.807 20 30 CFEDMN Cc1cc(C(=O)C(C#N)c2nc(C(C)C)cs2)n(C)n1 ZINC000747197998 618470591 /nfs/dbraw/zinc/47/05/91/618470591.db2.gz RCTUZDCAZGMOBW-SNVBAGLBSA-N 0 1 288.376 2.799 20 30 CFEDMN Oc1cccc(C=NNc2ccc(Br)cn2)c1 ZINC000727266050 618473822 /nfs/dbraw/zinc/47/38/22/618473822.db2.gz HUJHVUFCOZVGAW-UHFFFAOYSA-N 0 1 292.136 2.996 20 30 CFEDMN CCCCCCCCCN(C)C(=O)c1[nH]nnc1C ZINC000193891949 618477351 /nfs/dbraw/zinc/47/73/51/618477351.db2.gz BSAICYJDWWQHCY-UHFFFAOYSA-N 0 1 266.389 2.936 20 30 CFEDMN N#CCC1CN(CCc2cccc(OC(F)(F)F)c2)C1 ZINC000895344015 618541124 /nfs/dbraw/zinc/54/11/24/618541124.db2.gz LALUONITGQPVMW-UHFFFAOYSA-N 0 1 284.281 2.973 20 30 CFEDMN C[C@@H](CC(C)(C)C#N)N[C@H](CO)c1ccc(F)cc1F ZINC000895458626 618596490 /nfs/dbraw/zinc/59/64/90/618596490.db2.gz GQJLPMDNQDZBPP-IINYFYTJSA-N 0 1 282.334 2.916 20 30 CFEDMN C#CCCCCC(=O)C(C#N)C(=O)Nc1ccccc1 ZINC000180737071 618671696 /nfs/dbraw/zinc/67/16/96/618671696.db2.gz SSQDWTUZOUGOGR-CQSZACIVSA-N 0 1 268.316 2.528 20 30 CFEDMN C#CCCN1C[C@H]2CC[C@@H](C1)N2C(=O)C[C@@H]1CC[C@H](C)C1 ZINC001017820338 618672558 /nfs/dbraw/zinc/67/25/58/618672558.db2.gz AOIKKVFNIMUIPR-VVLHAWIVSA-N 0 1 288.435 2.511 20 30 CFEDMN C#CCCN1CCC[C@@H](NC(=O)c2sc(C)cc2C)C1 ZINC001007427157 618681309 /nfs/dbraw/zinc/68/13/09/618681309.db2.gz HOMBFUOVZVOATN-CQSZACIVSA-N 0 1 290.432 2.582 20 30 CFEDMN C=CC(C)(C)CCCNC(=O)N1C[C@H]2CCC[C@@H](C1)N2 ZINC000892695039 618715149 /nfs/dbraw/zinc/71/51/49/618715149.db2.gz NYDAFBVXIUSTDP-OKILXGFUSA-N 0 1 279.428 2.515 20 30 CFEDMN C=C(Cl)CN[C@H]1CCN(C(=O)C2CC3(CCC3)C2)C1 ZINC001019261108 618726519 /nfs/dbraw/zinc/72/65/19/618726519.db2.gz IWAHLHIOJCDVMZ-ZDUSSCGKSA-N 0 1 282.815 2.510 20 30 CFEDMN Cc1ncc2c(n1)CCC[C@@H]2NCC#Cc1ccccc1 ZINC000892949209 618779297 /nfs/dbraw/zinc/77/92/97/618779297.db2.gz NPBXXSWGEMGISW-KRWDZBQOSA-N 0 1 277.371 2.804 20 30 CFEDMN C#CCOc1ccccc1CNCc1cn(C)nc1C1CC1 ZINC000892971753 618786272 /nfs/dbraw/zinc/78/62/72/618786272.db2.gz UAKKZTYSRCBKHJ-UHFFFAOYSA-N 0 1 295.386 2.599 20 30 CFEDMN C[N@@H+]1Cc2ccccc2[C@@H](Nc2ccc(C#N)cc2CO)C1 ZINC000892996427 618796236 /nfs/dbraw/zinc/79/62/36/618796236.db2.gz ZXODEMQMADYNGV-SFHVURJKSA-N 0 1 293.370 2.649 20 30 CFEDMN CN1Cc2ccccc2[C@@H](Nc2ccc(C#N)cc2CO)C1 ZINC000892996427 618796237 /nfs/dbraw/zinc/79/62/37/618796237.db2.gz ZXODEMQMADYNGV-SFHVURJKSA-N 0 1 293.370 2.649 20 30 CFEDMN C#CCOc1ccccc1CN[C@@H](C)c1cccnc1 ZINC000020127952 618799179 /nfs/dbraw/zinc/79/91/79/618799179.db2.gz MCPCZXZHCBEGGW-AWEZNQCLSA-N 0 1 266.344 2.944 20 30 CFEDMN C=C(C)CN(C/C=C(\C)COC)Cc1ccc(CO)o1 ZINC000930456520 618829592 /nfs/dbraw/zinc/82/95/92/618829592.db2.gz VDVWHXSDFRPNRW-VGOFMYFVSA-N 0 1 279.380 2.743 20 30 CFEDMN N#CC[C@@H](O)CN1CC2(CCCC2)[C@H]1c1ccccc1 ZINC000930687275 618922426 /nfs/dbraw/zinc/92/24/26/618922426.db2.gz KWUJZYNMRGTYPV-HZPDHXFCSA-N 0 1 270.376 2.878 20 30 CFEDMN COc1cc(C)nc(C=N[N-]c2cc(C)cc[nH+]2)c1 ZINC000776777718 618939297 /nfs/dbraw/zinc/93/92/97/618939297.db2.gz MRNQISPQFXLTTF-UHFFFAOYSA-N 0 1 256.309 2.548 20 30 CFEDMN COc1cc(C)nc(C=NNc2cc(C)ccn2)c1 ZINC000776777718 618939298 /nfs/dbraw/zinc/93/92/98/618939298.db2.gz MRNQISPQFXLTTF-UHFFFAOYSA-N 0 1 256.309 2.548 20 30 CFEDMN CCC[C@H](C#N)NC(=O)c1ccc(CN2CCCCC2)o1 ZINC000931329482 618948593 /nfs/dbraw/zinc/94/85/93/618948593.db2.gz UWXBBJPDLTUJRT-CYBMUJFWSA-N 0 1 289.379 2.688 20 30 CFEDMN CC1(C#N)CCN(Cc2cccc3c2OCC3)CC1 ZINC000893469615 619009979 /nfs/dbraw/zinc/00/99/79/619009979.db2.gz AXVSZNAYRDRBCD-UHFFFAOYSA-N 0 1 256.349 2.747 20 30 CFEDMN C=CCOCCCCOC(=O)c1cc2[nH]cnc2cc1F ZINC000893473341 619012075 /nfs/dbraw/zinc/01/20/75/619012075.db2.gz HTVZCPHYTROBPH-UHFFFAOYSA-N 0 1 292.310 2.842 20 30 CFEDMN COC[C@@H](C)NN=Cc1ccc(N2CCCCC2)s1 ZINC000777894218 619096883 /nfs/dbraw/zinc/09/68/83/619096883.db2.gz GXKWORXDKLKWKD-GFCCVEGCSA-N 0 1 281.425 2.697 20 30 CFEDMN C#C[C@@H](NCc1ccc(CC(C)C)nc1)[C@H]1CCCO1 ZINC000893677538 619154063 /nfs/dbraw/zinc/15/40/63/619154063.db2.gz VTMAKUXBMOHOIR-IAGOWNOFSA-N 0 1 272.392 2.551 20 30 CFEDMN N#CC(C(=O)CCC1CCCC1)C(=O)NC1CCCC1 ZINC000048554982 619354778 /nfs/dbraw/zinc/35/47/78/619354778.db2.gz YOPMUDZAMZTREV-AWEZNQCLSA-N 0 1 276.380 2.724 20 30 CFEDMN CCOC(=O)c1ccc(CN[C@@H](C)CC(C)(C)C#N)o1 ZINC000894464907 619391873 /nfs/dbraw/zinc/39/18/73/619391873.db2.gz JBYSFZHJIVGSPJ-NSHDSACASA-N 0 1 278.352 2.874 20 30 CFEDMN C=C[C@@H]1CCCCN1Cc1ccc2oc(=O)oc2c1 ZINC000894583699 619423984 /nfs/dbraw/zinc/42/39/84/619423984.db2.gz JZWFJFZKBBHUJU-GFCCVEGCSA-N 0 1 259.305 2.927 20 30 CFEDMN C#Cc1cccc(CNCc2ccc(OCC)o2)c1 ZINC000894776863 619461024 /nfs/dbraw/zinc/46/10/24/619461024.db2.gz YDLYRUQNHHSQNR-UHFFFAOYSA-N 0 1 255.317 2.949 20 30 CFEDMN CO[C@]1(C(F)(F)F)CCN(CCC(C)(C)C#N)C1 ZINC000880306102 619476684 /nfs/dbraw/zinc/47/66/84/619476684.db2.gz LRIDVYVHTRMTAL-LLVKDONJSA-N 0 1 264.291 2.579 20 30 CFEDMN C[C@H](NN=Cc1cc(O)ccc1[N+](=O)[O-])C(C)(C)C ZINC000793117021 619511209 /nfs/dbraw/zinc/51/12/09/619511209.db2.gz WHWDSXNHVFMLSN-VIFPVBQESA-N 0 1 265.313 2.659 20 30 CFEDMN C=CCC[C@@H](CO)[NH2+]Cc1ccc2ccccc2c1[O-] ZINC000894935223 619515368 /nfs/dbraw/zinc/51/53/68/619515368.db2.gz VNWGJKDQLHHSHP-HNNXBMFYSA-N 0 1 271.360 2.962 20 30 CFEDMN C#CCN1CCC(Nc2nccc3c(OC)cccc32)CC1 ZINC000895810670 619610020 /nfs/dbraw/zinc/61/00/20/619610020.db2.gz AFONAWSWINBTPG-UHFFFAOYSA-N 0 1 295.386 2.753 20 30 CFEDMN C#CCN1CCC(Nc2cncc(-c3cccs3)n2)CC1 ZINC000895810705 619610240 /nfs/dbraw/zinc/61/02/40/619610240.db2.gz AZPUQAGRLXFPTH-UHFFFAOYSA-N 0 1 298.415 2.715 20 30 CFEDMN C#CCN1CCC(Nc2nc(CC)nc(Cl)c2C)CC1 ZINC000895808334 619612421 /nfs/dbraw/zinc/61/24/21/619612421.db2.gz FRVRCPCGAJIMRR-UHFFFAOYSA-N 0 1 292.814 2.510 20 30 CFEDMN C=CCC1(O)CCN(Cc2cc(F)cc(OC)c2)CC1 ZINC000895833625 619619643 /nfs/dbraw/zinc/61/96/43/619619643.db2.gz AVTOBCIGJWEEMO-UHFFFAOYSA-N 0 1 279.355 2.737 20 30 CFEDMN N#C[C@H]1CCCN(Cc2cnc(-c3ccccc3)[nH]2)C1 ZINC000896500817 619750141 /nfs/dbraw/zinc/75/01/41/619750141.db2.gz AJQOHYOLDPQVBX-CYBMUJFWSA-N 0 1 266.348 2.812 20 30 CFEDMN N#C[C@@H]1CCCN(Cc2cccc(Cl)c2O)C1 ZINC000896507225 619753256 /nfs/dbraw/zinc/75/32/56/619753256.db2.gz ZUNXQAVWQLSURK-JTQLQIEISA-N 0 1 250.729 2.781 20 30 CFEDMN C[C@@H](NC(=O)[C@H]1CCN1C(C)(C)C)c1cccc(C#N)c1 ZINC000896764184 619809140 /nfs/dbraw/zinc/80/91/40/619809140.db2.gz GAUZSCZWDAFOGE-IUODEOHRSA-N 0 1 285.391 2.608 20 30 CFEDMN CC(C)CCN(CCC#N)C(=O)[C@@H]1CCN1C(C)(C)C ZINC000896894734 619865927 /nfs/dbraw/zinc/86/59/27/619865927.db2.gz YLCYGVXYRUQZNO-AWEZNQCLSA-N 0 1 279.428 2.648 20 30 CFEDMN C[C@@]1(CNCc2cccc(F)c2C#N)CCCCO1 ZINC000896924167 619893757 /nfs/dbraw/zinc/89/37/57/619893757.db2.gz OKSHLHUUPKBNFN-HNNXBMFYSA-N 0 1 262.328 2.746 20 30 CFEDMN N#Cc1csc(CN2CCC(O)(C3CCC3)CC2)c1 ZINC000897033140 619915405 /nfs/dbraw/zinc/91/54/05/619915405.db2.gz BRHSEHAMVCPYIU-UHFFFAOYSA-N 0 1 276.405 2.747 20 30 CFEDMN C#CC[C@@H](NC(=O)[C@@H]1CCN1C(C)(C)C)c1ccccc1 ZINC000897232336 619954238 /nfs/dbraw/zinc/95/42/38/619954238.db2.gz NTQFTZNCCTXYOD-CVEARBPZSA-N 0 1 284.403 2.740 20 30 CFEDMN N#C[C@@H]1CCC[C@@H]([NH2+]CCc2c(F)cc([O-])cc2F)C1 ZINC000897305586 619973924 /nfs/dbraw/zinc/97/39/24/619973924.db2.gz XYZKOLDHKFPECF-GHMZBOCLSA-N 0 1 280.318 2.885 20 30 CFEDMN C=C(Cl)CN[C@@H]1CCN(C(=O)/C=C/c2ccco2)[C@H]1C ZINC000985885411 620048591 /nfs/dbraw/zinc/04/85/91/620048591.db2.gz AUSCQICHUMEXGI-UGAQRHAQSA-N 0 1 294.782 2.624 20 30 CFEDMN CCc1nc(CSc2c(C)cccc2C#N)n[nH]1 ZINC000871690694 620050778 /nfs/dbraw/zinc/05/07/78/620050778.db2.gz CGMWTNISSDZMRZ-UHFFFAOYSA-N 0 1 258.350 2.840 20 30 CFEDMN C=C(Cl)CN[C@@H]1CCN(C(=O)c2ccsc2)[C@@H]1C ZINC000985941117 620053754 /nfs/dbraw/zinc/05/37/54/620053754.db2.gz IMLCPRSQJFGXLX-ZYHUDNBSSA-N 0 1 284.812 2.693 20 30 CFEDMN C=C(Cl)CN[C@@H]1CCN(C(=O)c2ccc(C)o2)[C@@H]1C ZINC000985954108 620054316 /nfs/dbraw/zinc/05/43/16/620054316.db2.gz BPZBHTRLOHPREK-VXGBXAGGSA-N 0 1 282.771 2.533 20 30 CFEDMN C=C(Cl)CN[C@H]1CCN(C(=O)c2cc(C)oc2C)[C@@H]1C ZINC000985958738 620054501 /nfs/dbraw/zinc/05/45/01/620054501.db2.gz SVPQWGSTSOFQEC-RISCZKNCSA-N 0 1 296.798 2.842 20 30 CFEDMN C=C(Cl)CN[C@H]1CCN(C(=O)C(CC)CC)[C@@H]1C ZINC000986002743 620057575 /nfs/dbraw/zinc/05/75/75/620057575.db2.gz MESUYACEQUXPID-YPMHNXCESA-N 0 1 272.820 2.754 20 30 CFEDMN C/C=C(/C)C(=O)N1CC[C@H](NCc2ccccc2C#N)[C@H]1C ZINC000986139232 620072311 /nfs/dbraw/zinc/07/23/11/620072311.db2.gz XCOUSYALALNEME-LTXCYCMVSA-N 0 1 297.402 2.603 20 30 CFEDMN C=C(Cl)CN[C@@H]1CCN(C(=O)c2cc[nH]c2CC)[C@H]1C ZINC000986225971 620077166 /nfs/dbraw/zinc/07/71/66/620077166.db2.gz VIDJKKNXPHMHQI-SMDDNHRTSA-N 0 1 295.814 2.522 20 30 CFEDMN C=C(Cl)CN[C@@H]1CCN(C(=O)c2c(C)coc2C)[C@H]1C ZINC000986233097 620077446 /nfs/dbraw/zinc/07/74/46/620077446.db2.gz UBOXMTNQJUUZCV-WCQYABFASA-N 0 1 296.798 2.842 20 30 CFEDMN C=C(Cl)CN[C@@H]1CCN(C(=O)c2[nH]c(C)cc2C)[C@@H]1C ZINC000986414768 620081471 /nfs/dbraw/zinc/08/14/71/620081471.db2.gz LRRUELSQPSNEHR-CHWSQXEVSA-N 0 1 295.814 2.577 20 30 CFEDMN C=C(Br)CN1CCCC[C@H]1C[C@H](C)O ZINC000163117260 625394869 /nfs/dbraw/zinc/39/48/69/625394869.db2.gz GMKBWLLXSIAOJC-QWRGUYRKSA-N 0 1 262.191 2.520 20 30 CFEDMN C=C(Cl)CN[C@@H]1CCN(C(=O)c2ccc(C)cc2)[C@H]1C ZINC000987402237 620133285 /nfs/dbraw/zinc/13/32/85/620133285.db2.gz FBVHRLNBEAAPHJ-DZGCQCFKSA-N 0 1 292.810 2.940 20 30 CFEDMN C=C(Cl)CN[C@H]1C[C@H](C)N(C(=O)c2cccc(F)c2)C1 ZINC000987908979 620158670 /nfs/dbraw/zinc/15/86/70/620158670.db2.gz RGSHWDWWCDDUEV-FZMZJTMJSA-N 0 1 296.773 2.771 20 30 CFEDMN C=C(Cl)CN[C@H]1C[C@H](C)N(C(=O)c2cccc(C)c2)C1 ZINC000987939645 620159234 /nfs/dbraw/zinc/15/92/34/620159234.db2.gz QQHITRBBTZYGNB-ZFWWWQNUSA-N 0 1 292.810 2.940 20 30 CFEDMN C=C(Cl)CN[C@@H]1C[C@@H](C)N(C(=O)c2ccc(C)o2)C1 ZINC000987951026 620159243 /nfs/dbraw/zinc/15/92/43/620159243.db2.gz KIYGJIUHNZPOPK-ZYHUDNBSSA-N 0 1 282.771 2.533 20 30 CFEDMN C=C(Cl)CN[C@@H]1C[C@H](C)N(C(=O)c2cccc(C)c2)C1 ZINC000987939640 620159412 /nfs/dbraw/zinc/15/94/12/620159412.db2.gz QQHITRBBTZYGNB-DZGCQCFKSA-N 0 1 292.810 2.940 20 30 CFEDMN C=C(Cl)CN[C@@H]1C[C@H](C)N(C(=O)C(CC)CC)C1 ZINC000988102651 620161837 /nfs/dbraw/zinc/16/18/37/620161837.db2.gz LGRATUSSEQQJSZ-WCQYABFASA-N 0 1 272.820 2.754 20 30 CFEDMN C=C(Cl)CN[C@@H]1C[C@@H](C)N(C(=O)c2coc(C)c2)C1 ZINC000988696370 620215580 /nfs/dbraw/zinc/21/55/80/620215580.db2.gz BKMGRZAXOCTDCL-ZWNOBZJWSA-N 0 1 282.771 2.533 20 30 CFEDMN C=C(Cl)CN[C@@H]1C[C@H](C)N(C(=O)c2ccoc2CC)C1 ZINC000988757877 620220614 /nfs/dbraw/zinc/22/06/14/620220614.db2.gz JPIVHHQJCOOSJB-NWDGAFQWSA-N 0 1 296.798 2.787 20 30 CFEDMN C=C(Cl)CN[C@@H]1C[C@@H](C)N(C(=O)c2cc[nH]c2CC)C1 ZINC000988755404 620220650 /nfs/dbraw/zinc/22/06/50/620220650.db2.gz FFQOPJSZPNBRAM-VXGBXAGGSA-N 0 1 295.814 2.522 20 30 CFEDMN C=C(Cl)CN[C@H]1C[C@H](C)N(C(=O)c2c(C)coc2C)C1 ZINC000988759235 620220668 /nfs/dbraw/zinc/22/06/68/620220668.db2.gz SLODDFXFGAJIRP-AAEUAGOBSA-N 0 1 296.798 2.842 20 30 CFEDMN C=C(Cl)CN[C@@H]1C[C@H](C)N(C(=O)C2CC(C)(C)C2)C1 ZINC000988772511 620223100 /nfs/dbraw/zinc/22/31/00/620223100.db2.gz RVNDWSBYAQAUHZ-WCQYABFASA-N 0 1 284.831 2.754 20 30 CFEDMN Cc1ccccc1OCCN(C)Cc1cncc(C#N)c1 ZINC000929099089 620233550 /nfs/dbraw/zinc/23/35/50/620233550.db2.gz IGUNYYPUGISZJZ-UHFFFAOYSA-N 0 1 281.359 2.773 20 30 CFEDMN C=CCCO[C@H](C)C(=O)C(C#N)c1nc(C)cs1 ZINC000067785614 620234891 /nfs/dbraw/zinc/23/48/91/620234891.db2.gz CVIFLIBPKYHWQT-GHMZBOCLSA-N 0 1 264.350 2.609 20 30 CFEDMN C#Cc1ccc(C(=O)N[C@@H](C)c2n[nH]c([C@@H](C)CC)n2)cc1 ZINC000897556038 620245603 /nfs/dbraw/zinc/24/56/03/620245603.db2.gz DFFDBEDXDYAWKE-RYUDHWBXSA-N 0 1 296.374 2.791 20 30 CFEDMN C=C(Cl)CN[C@@H]1C[C@@H](C)N(C(=O)c2occc2CC)C1 ZINC000989413614 620260540 /nfs/dbraw/zinc/26/05/40/620260540.db2.gz KOAPJJLPXCRFPY-DGCLKSJQSA-N 0 1 296.798 2.787 20 30 CFEDMN C=CCCCCCCNC(=O)c1cncc2nc[nH]c21 ZINC000897756621 620276779 /nfs/dbraw/zinc/27/67/79/620276779.db2.gz OIYPZDGZJDAFOJ-UHFFFAOYSA-N 0 1 272.352 2.824 20 30 CFEDMN C[C@H](NCc1cc(C#N)ccc1N(C)C)c1cncs1 ZINC000897930562 620305810 /nfs/dbraw/zinc/30/58/10/620305810.db2.gz QVUOOMMAPVQCID-NSHDSACASA-N 0 1 286.404 2.932 20 30 CFEDMN C=C(C)CONC(=O)[C@@H](c1ccncc1)C1CCCC1 ZINC000898281465 620364410 /nfs/dbraw/zinc/36/44/10/620364410.db2.gz WYRRHNLWSGKSOD-OAHLLOKOSA-N 0 1 274.364 2.979 20 30 CFEDMN C=C(C)C[N@H+]1CCCN(C(=O)c2ccc3c(c2)CCC3)CC1 ZINC000989638169 620384188 /nfs/dbraw/zinc/38/41/88/620384188.db2.gz NJXZMEWYDGSHEF-UHFFFAOYSA-N 0 1 298.430 2.899 20 30 CFEDMN C=C(C)CN1CCCN(C(=O)c2ccc3c(c2)CCC3)CC1 ZINC000989638169 620384191 /nfs/dbraw/zinc/38/41/91/620384191.db2.gz NJXZMEWYDGSHEF-UHFFFAOYSA-N 0 1 298.430 2.899 20 30 CFEDMN C=CCN1CC[C@]2(NC(=O)c3sccc3C)CCC[C@@H]12 ZINC000989909180 620401467 /nfs/dbraw/zinc/40/14/67/620401467.db2.gz CZPYQYZHSPYHEQ-CZUORRHYSA-N 0 1 290.432 2.969 20 30 CFEDMN C#CC[N@H+]1CC[C@]2(NC(=O)C=C3CCCCC3)CCC[C@@H]12 ZINC000989998593 620407482 /nfs/dbraw/zinc/40/74/82/620407482.db2.gz GIUUVEDEYYYQKU-SJLPKXTDSA-N 0 1 286.419 2.623 20 30 CFEDMN C=C[C@H](CC(=O)N1CC(N2CCCC2)C1)c1ccccc1 ZINC000898608271 620482791 /nfs/dbraw/zinc/48/27/91/620482791.db2.gz NLTKRPSHVBOZSM-OAHLLOKOSA-N 0 1 284.403 2.653 20 30 CFEDMN C#CC[C@H]1C(=O)N(c2nc(C(F)(F)F)cs2)N=C1C ZINC000899352774 620548219 /nfs/dbraw/zinc/54/82/19/620548219.db2.gz OWGSEGPAMLSXFW-SSDOTTSWSA-N 0 1 287.266 2.524 20 30 CFEDMN Cn1cc(/C=C/C(=O)c2ccc(O)cc2O)c(C2CC2)n1 ZINC000899361694 620552749 /nfs/dbraw/zinc/55/27/49/620552749.db2.gz BFQMANYBYSBSKI-QPJJXVBHSA-N 0 1 284.315 2.605 20 30 CFEDMN Cc1[nH]n(-c2c(F)cc(F)cc2F)c(=O)c1CCC#N ZINC000899362440 620553745 /nfs/dbraw/zinc/55/37/45/620553745.db2.gz UAEDLJLOHIYDFA-SECBINFHSA-N 0 1 281.237 2.746 20 30 CFEDMN N#CCC[C@H](C#N)CNC[C@H]1CCC[C@@H](C(F)(F)F)O1 ZINC000901566434 620858885 /nfs/dbraw/zinc/85/88/85/620858885.db2.gz SVLIEOMUNLXTQA-UTUOFQBUSA-N 0 1 289.301 2.520 20 30 CFEDMN N#CCC[C@H](C#N)CNCC[C@@H]1OCCc2ccccc21 ZINC000901630686 620875414 /nfs/dbraw/zinc/87/54/14/620875414.db2.gz KGTMTTZEJVVUBB-PBHICJAKSA-N 0 1 283.375 2.724 20 30 CFEDMN C=CC[C@@H]1CC[N@H+](Cc2ccc(OCC(=O)[O-])cc2)C1 ZINC000902488006 621112750 /nfs/dbraw/zinc/11/27/50/621112750.db2.gz GPWWOXVPUXKCFV-CYBMUJFWSA-N 0 1 275.348 2.548 20 30 CFEDMN C[C@H](NC[C@H](c1ccccc1)[NH+](C)C)c1cc(C#N)ccn1 ZINC000902724872 621158114 /nfs/dbraw/zinc/15/81/14/621158114.db2.gz KYHPDNZDTDJEOB-KBXCAEBGSA-N 0 1 294.402 2.907 20 30 CFEDMN C[C@@H](NCc1cccc(N(C)C)c1)c1cc(C#N)ccn1 ZINC000902789547 621177066 /nfs/dbraw/zinc/17/70/66/621177066.db2.gz HPVZOQZYUVBBFP-CYBMUJFWSA-N 0 1 280.375 2.870 20 30 CFEDMN C[C@H](NCc1cccc(N(C)C)c1)c1cc(C#N)ccn1 ZINC000902789549 621177106 /nfs/dbraw/zinc/17/71/06/621177106.db2.gz HPVZOQZYUVBBFP-ZDUSSCGKSA-N 0 1 280.375 2.870 20 30 CFEDMN C#C[C@H](N[C@H](CC)c1cccc(C#N)c1)[C@H]1CCCO1 ZINC000902958832 621214139 /nfs/dbraw/zinc/21/41/39/621214139.db2.gz VEJPSVILNDNVLT-IXDOHACOSA-N 0 1 268.360 2.780 20 30 CFEDMN C[C@H](Cc1ccc(F)cc1[N+](=O)[O-])NCC1(C#N)CCC1 ZINC000903035926 621230665 /nfs/dbraw/zinc/23/06/65/621230665.db2.gz WMQHDRRVTHYEGS-LLVKDONJSA-N 0 1 291.326 2.948 20 30 CFEDMN Cc1cc(C#N)cc(C)c1C[N@@H+]1CCC[C@H](C)[C@@H]1C(=O)[O-] ZINC000903408054 621363047 /nfs/dbraw/zinc/36/30/47/621363047.db2.gz NNZDAQPDEZHGJO-MEDUHNTESA-N 0 1 286.375 2.860 20 30 CFEDMN C=CC[C@H](C)[N@H+]1C[C@@H](C(=O)[O-])[C@@H](c2ccccc2)C1 ZINC000903603091 621399854 /nfs/dbraw/zinc/39/98/54/621399854.db2.gz SNRIJILBPIGQHP-NWANDNLSSA-N 0 1 259.349 2.751 20 30 CFEDMN N#CC1(CCCC[N@@H+]2CCCC[C@H]2C(=O)[O-])CCC1 ZINC000903697033 621420548 /nfs/dbraw/zinc/42/05/48/621420548.db2.gz GHSGMJVETDSUGT-ZDUSSCGKSA-N 0 1 264.369 2.790 20 30 CFEDMN C=CC[N@@H+](C)Cc1occ(C(F)(F)F)c1C(=O)[O-] ZINC000903887251 621459516 /nfs/dbraw/zinc/45/95/16/621459516.db2.gz OFJVFCOTNCXRNA-UHFFFAOYSA-N 0 1 263.215 2.614 20 30 CFEDMN C=CC[N@H+](C)Cc1occ(C(F)(F)F)c1C(=O)[O-] ZINC000903887251 621459518 /nfs/dbraw/zinc/45/95/18/621459518.db2.gz OFJVFCOTNCXRNA-UHFFFAOYSA-N 0 1 263.215 2.614 20 30 CFEDMN CCOc1ccc(/C=N/Cc2cc(N(C)C)ccn2)c(O)c1 ZINC000905000981 621679512 /nfs/dbraw/zinc/67/95/12/621679512.db2.gz BXHGDYIPHKRSEJ-WOJGMQOQSA-N 0 1 299.374 2.871 20 30 CFEDMN CN(C)Cc1cccc(C(=O)/C=C\c2cc3n(n2)CCC3)c1 ZINC000905078095 621690255 /nfs/dbraw/zinc/69/02/55/621690255.db2.gz KUEZWRGAAJEROY-HJWRWDBZSA-N 0 1 295.386 2.787 20 30 CFEDMN Cc1cc(/C=C\C(=O)c2cccc(CN(C)C)c2)nn1C ZINC000905078909 621690526 /nfs/dbraw/zinc/69/05/26/621690526.db2.gz YWMBJGLGYGRKGT-HJWRWDBZSA-N 0 1 283.375 2.686 20 30 CFEDMN C[C@@](O)(CN[C@@H](CCC#N)c1ccccc1)C(F)F ZINC000905179215 621711770 /nfs/dbraw/zinc/71/17/70/621711770.db2.gz IHSYBVORWXTCAO-GXTWGEPZSA-N 0 1 268.307 2.637 20 30 CFEDMN CCCn1cc(C(C)N=Nc2cc(C)ccc2F)nn1 ZINC000905453986 621775304 /nfs/dbraw/zinc/77/53/04/621775304.db2.gz FZIZGCSYHCSMGE-UHFFFAOYSA-N 0 1 275.331 2.972 20 30 CFEDMN C#Cc1cccc(NC(=O)C(C)(C)N2CCCCC2)c1 ZINC000905690304 621818567 /nfs/dbraw/zinc/81/85/67/621818567.db2.gz XTXCGJSQTDPNIF-UHFFFAOYSA-N 0 1 270.376 2.871 20 30 CFEDMN Cc1ccc(Cn2cc(CN(C)C(C)(C)C)nn2)cc1C#N ZINC000905803561 621868207 /nfs/dbraw/zinc/86/82/07/621868207.db2.gz HZKWSXVOQSIYOF-UHFFFAOYSA-N 0 1 297.406 2.737 20 30 CFEDMN N#Cc1cc(F)ccc1-c1cnc([C@@H]2CCCCN2)nc1 ZINC000906170664 621942994 /nfs/dbraw/zinc/94/29/94/621942994.db2.gz HMCYXFPLLIIVCE-HNNXBMFYSA-N 0 1 282.322 2.969 20 30 CFEDMN N#Cc1ccc(O)c(NC(=O)[C@@]2(C#N)CC3CCC2CC3)c1 ZINC000907145162 622087796 /nfs/dbraw/zinc/08/77/96/622087796.db2.gz NRZDEDADJDCFGW-FWXSHLFISA-N 0 1 295.342 2.922 20 30 CFEDMN N#C[C@@]1(C(=O)Nc2nc(C3CCC3)n[nH]2)CC2CCC1CC2 ZINC000907368617 622117516 /nfs/dbraw/zinc/11/75/16/622117516.db2.gz PHJFXSCVOBTCKB-MLHMAEKDSA-N 0 1 299.378 2.731 20 30 CFEDMN N#C[C@@]1(C(=O)Nc2n[nH]c(C3CCC3)n2)CC2CCC1CC2 ZINC000907368617 622117518 /nfs/dbraw/zinc/11/75/18/622117518.db2.gz PHJFXSCVOBTCKB-MLHMAEKDSA-N 0 1 299.378 2.731 20 30 CFEDMN C=C1CCC(C(=O)Nc2n[nH]c3cc(O)ccc32)CC1 ZINC000908334705 622216921 /nfs/dbraw/zinc/21/69/21/622216921.db2.gz CZYDZYPTNBVQIW-UHFFFAOYSA-N 0 1 271.320 2.953 20 30 CFEDMN Cc1cc(F)c(C=NNCCN2CCCCC2)c(F)c1 ZINC000819806736 622560381 /nfs/dbraw/zinc/56/03/81/622560381.db2.gz ZLCRVEBRAOQMGR-UHFFFAOYSA-N 0 1 281.350 2.683 20 30 CFEDMN CCN(C)c1ccc(C=NN[C@@H](C)c2ccncc2)cn1 ZINC000819815594 622562235 /nfs/dbraw/zinc/56/22/35/622562235.db2.gz BVDORQABEQIKOO-ZDUSSCGKSA-N 0 1 283.379 2.617 20 30 CFEDMN C[C@H](NN=Cc1cc(C(F)(F)F)n[nH]1)c1ccncc1 ZINC000819817153 622564161 /nfs/dbraw/zinc/56/41/61/622564161.db2.gz WSFJWSWGCHTMNH-QMMMGPOBSA-N 0 1 283.257 2.508 20 30 CFEDMN C[C@H]1CC(N=Nc2cc(Cl)nc(Cl)c2)c2ncnn21 ZINC000819828380 622565329 /nfs/dbraw/zinc/56/53/29/622565329.db2.gz AXQCSWUHDZYNEE-LURJTMIESA-N 0 1 297.149 2.761 20 30 CFEDMN C[C@@H]1CCCC[C@H]1C(=O)C(C#N)C(=O)Nc1ccccn1 ZINC000819952912 622582279 /nfs/dbraw/zinc/58/22/79/622582279.db2.gz XDDJXNQLGMEIMU-JHJVBQTASA-N 0 1 285.347 2.555 20 30 CFEDMN C[C@@H]1CCCC[C@@H]1C(=O)C(C#N)C(=O)Nc1ccccn1 ZINC000819952910 622582558 /nfs/dbraw/zinc/58/25/58/622582558.db2.gz XDDJXNQLGMEIMU-AGIUHOORSA-N 0 1 285.347 2.555 20 30 CFEDMN CCC(C#N)(CC)C(=O)N1CCN(C)[C@@H](C(C)(C)C)C1 ZINC000912027685 622608084 /nfs/dbraw/zinc/60/80/84/622608084.db2.gz USOCFVMNGDVMRF-CYBMUJFWSA-N 0 1 279.428 2.505 20 30 CFEDMN CN1CCN(C(=O)c2ccccc2CC#N)C[C@H]1C(C)(C)C ZINC000912026159 622608761 /nfs/dbraw/zinc/60/87/61/622608761.db2.gz DSHMHVCKDRMATI-INIZCTEOSA-N 0 1 299.418 2.555 20 30 CFEDMN Cc1cccc2nc([C@H](C#N)C(=O)C=C[C@@H]3CCCO3)[nH]c21 ZINC000820086333 622609558 /nfs/dbraw/zinc/60/95/58/622609558.db2.gz ZFJQEILKZMJAPB-YMVSPQSISA-N 0 1 295.342 2.783 20 30 CFEDMN Cc1noc(C)c1C=NNc1nc2cc(F)c(F)cc2[nH]1 ZINC000912823751 622781746 /nfs/dbraw/zinc/78/17/46/622781746.db2.gz ZEABPQVSSSXZTH-UHFFFAOYSA-N 0 1 291.261 2.892 20 30 CFEDMN Cc1noc(C)c1C=N[N-]c1[nH]c2cc(F)c(F)cc2[nH+]1 ZINC000912823751 622781750 /nfs/dbraw/zinc/78/17/50/622781750.db2.gz ZEABPQVSSSXZTH-UHFFFAOYSA-N 0 1 291.261 2.892 20 30 CFEDMN C=CC[C@@H](C(=O)N1CC[C@@H](N2CCC2)C1)c1ccccc1 ZINC000912911108 622793410 /nfs/dbraw/zinc/79/34/10/622793410.db2.gz ZDKFHAKXLOLNMA-IAGOWNOFSA-N 0 1 284.403 2.653 20 30 CFEDMN C=CC[C@H](C(=O)N1CC[C@H](N2CCC2)C1)c1ccccc1 ZINC000912911109 622793816 /nfs/dbraw/zinc/79/38/16/622793816.db2.gz ZDKFHAKXLOLNMA-IRXDYDNUSA-N 0 1 284.403 2.653 20 30 CFEDMN CN(C)Cc1cccc(C(=O)/C=C/c2cocn2)c1 ZINC000821017688 622822968 /nfs/dbraw/zinc/82/29/68/622822968.db2.gz LTBHFPASXNJRFP-VOTSOKGWSA-N 0 1 256.305 2.632 20 30 CFEDMN C=C(C)C(C)(C)C(=O)OCc1nc(C(C)C)n[nH]1 ZINC000821186830 622863510 /nfs/dbraw/zinc/86/35/10/622863510.db2.gz VIYYTQVUKYIPJS-UHFFFAOYSA-N 0 1 251.330 2.574 20 30 CFEDMN C=C(C)C(C)(C)C(=O)OCc1n[nH]c(C(C)C)n1 ZINC000821186830 622863515 /nfs/dbraw/zinc/86/35/15/622863515.db2.gz VIYYTQVUKYIPJS-UHFFFAOYSA-N 0 1 251.330 2.574 20 30 CFEDMN CCOP(=O)(CCCN(C)C[C@H](C)C#N)OCC ZINC000876616777 622919987 /nfs/dbraw/zinc/91/99/87/622919987.db2.gz ABMYXROPWGJCDL-GFCCVEGCSA-N 0 1 276.317 2.734 20 30 CFEDMN COc1ccc(C(=O)/C=C/c2c(C)n[nH]c2C)c(O)c1 ZINC000156614054 622951939 /nfs/dbraw/zinc/95/19/39/622951939.db2.gz UPRFBVDGFHQDAT-VOTSOKGWSA-N 0 1 272.304 2.637 20 30 CFEDMN CC(C)(C)[C@H](C#N)OC(=O)c1cc2[nH]cnc2cc1F ZINC000821627672 622957431 /nfs/dbraw/zinc/95/74/31/622957431.db2.gz KJFNHBQVCOJOBR-LBPRGKRZSA-N 0 1 275.283 2.797 20 30 CFEDMN CC(C)[C@H](C(=O)O[C@@H](C#N)C1CCCCC1)N(C)C ZINC000803701214 623025781 /nfs/dbraw/zinc/02/57/81/623025781.db2.gz ALJMSTDUXGZSKX-UONOGXRCSA-N 0 1 266.385 2.588 20 30 CFEDMN C=CCCCN(C)[C@@H](C)C(=O)Nc1cccnc1Cl ZINC000076737220 623118130 /nfs/dbraw/zinc/11/81/30/623118130.db2.gz ZSJBAROERPXEGS-NSHDSACASA-N 0 1 281.787 2.960 20 30 CFEDMN C=CCN1CC[C@@H](NC(=O)Cc2ccc(C)c(Cl)c2)C1 ZINC001014916064 623151158 /nfs/dbraw/zinc/15/11/58/623151158.db2.gz PLSMTQXWIBQNHS-CQSZACIVSA-N 0 1 292.810 2.567 20 30 CFEDMN C=C(C)CN(CC)CC(=O)N[C@@H](C)CCCCC ZINC000061758787 623232496 /nfs/dbraw/zinc/23/24/96/623232496.db2.gz ZMTTZVBKFFJFFK-AWEZNQCLSA-N 0 1 254.418 2.969 20 30 CFEDMN CCCCCCCCCN(C)C(=O)C1=NC(=O)N(C)C1 ZINC000823167585 623250015 /nfs/dbraw/zinc/25/00/15/623250015.db2.gz DROGVUNSFXCOSN-UHFFFAOYSA-N 0 1 281.400 2.948 20 30 CFEDMN CC[C@@]1(C(=O)[O-])CCC[N@@H+](Cc2ccc(C#N)cc2)C1 ZINC000062877536 623302693 /nfs/dbraw/zinc/30/26/93/623302693.db2.gz NVISTEICSLPWFN-MRXNPFEDSA-N 0 1 272.348 2.635 20 30 CFEDMN C=CCONC(=O)Cc1csc(C2CCCC2)n1 ZINC000823416780 623313033 /nfs/dbraw/zinc/31/30/33/623313033.db2.gz XVVSBQHMCHJZNS-UHFFFAOYSA-N 0 1 266.366 2.577 20 30 CFEDMN COC(=O)/C(C)=C/CN(C)[C@H](C)c1cccc(C#N)c1 ZINC000823617535 623362141 /nfs/dbraw/zinc/36/21/41/623362141.db2.gz JZOWVLJXUWSCHW-YQCJOKCJSA-N 0 1 272.348 2.670 20 30 CFEDMN C=CCCC[C@H](C)[NH2+]Cc1ccc(-c2nnn[n-]2)s1 ZINC000823894188 623415730 /nfs/dbraw/zinc/41/57/30/623415730.db2.gz JNRJPEUPTQCXCS-JTQLQIEISA-N 0 1 277.397 2.763 20 30 CFEDMN C=CCCC[C@H](C)[NH2+]Cc1ccc(-c2nn[n-]n2)s1 ZINC000823894188 623415737 /nfs/dbraw/zinc/41/57/37/623415737.db2.gz JNRJPEUPTQCXCS-JTQLQIEISA-N 0 1 277.397 2.763 20 30 CFEDMN C=CCC(CC=C)C(=O)OC[C@H]1CN(CC(C)C)CCO1 ZINC000151529029 623463782 /nfs/dbraw/zinc/46/37/82/623463782.db2.gz FXFFVCWQLYLZKE-MRXNPFEDSA-N 0 1 295.423 2.655 20 30 CFEDMN C#CCCCC(=O)NC[C@@H](c1ccc(Cl)cc1)N(C)C ZINC000757985104 623497390 /nfs/dbraw/zinc/49/73/90/623497390.db2.gz HVLHTCYAULXYIK-HNNXBMFYSA-N 0 1 292.810 2.862 20 30 CFEDMN C#CCN1CC[C@]2(NC(=O)c3ccc(CC)cc3)CCC[C@@H]12 ZINC000992474334 623593824 /nfs/dbraw/zinc/59/38/24/623593824.db2.gz ACLZOKUCSCQICC-IEBWSBKVSA-N 0 1 296.414 2.609 20 30 CFEDMN N#CCC1(C[NH2+]Cc2ccc(Br)cc2[O-])CC1 ZINC000825753760 623751149 /nfs/dbraw/zinc/75/11/49/623751149.db2.gz VTBVLLGQNZBELH-UHFFFAOYSA-N 0 1 295.180 2.938 20 30 CFEDMN C#Cc1cccc(N(CC)C(=O)[C@@H]2CCc3[nH]cnc3C2)c1 ZINC000825980118 623778120 /nfs/dbraw/zinc/77/81/20/623778120.db2.gz RVEFXQSULOBSDN-CQSZACIVSA-N 0 1 293.370 2.549 20 30 CFEDMN C#CCCN1CCN(Cc2ccc(C(F)(F)F)cc2)CC1 ZINC000152866709 623784779 /nfs/dbraw/zinc/78/47/79/623784779.db2.gz CSUHFZNVEKQYHH-UHFFFAOYSA-N 0 1 296.336 2.846 20 30 CFEDMN C=CCC[C@H](CO)[NH2+]Cc1cc(Cl)c(C)cc1[O-] ZINC000826096894 623793016 /nfs/dbraw/zinc/79/30/16/623793016.db2.gz HRLVSMCPUXXIJN-GFCCVEGCSA-N 0 1 269.772 2.771 20 30 CFEDMN Cn1cc(N=NC2CCc3cc(Cl)ccc32)cn1 ZINC000761868104 623840940 /nfs/dbraw/zinc/84/09/40/623840940.db2.gz WCXGUIDDOCWBKM-UHFFFAOYSA-N 0 1 260.728 2.836 20 30 CFEDMN COc1cc(F)ccc1NN=C1CCn2cccc21 ZINC000761889574 623842168 /nfs/dbraw/zinc/84/21/68/623842168.db2.gz FPVQTGUIEOYEFA-UHFFFAOYSA-N 0 1 259.284 2.856 20 30 CFEDMN CC(C)[C@@H]1CC[N@H+]([C@H](C(=O)[O-])c2cccc(C#N)c2)C1 ZINC000826736048 623862348 /nfs/dbraw/zinc/86/23/48/623862348.db2.gz NMNWFHLSXJBKTG-CABCVRRESA-N 0 1 272.348 2.662 20 30 CFEDMN C=CCN1CCC[C@H](NC(=O)c2cccc(C)c2)[C@@H]1C ZINC000993060279 623877953 /nfs/dbraw/zinc/87/79/53/623877953.db2.gz WHRDDWOTSXIJBA-HOCLYGCPSA-N 0 1 272.392 2.764 20 30 CFEDMN CN(C)c1ccc(C=[NH+][N-]c2cncc(Cl)n2)cc1 ZINC000914559653 623897891 /nfs/dbraw/zinc/89/78/91/623897891.db2.gz GMXXOKFWRVYDHQ-UHFFFAOYSA-N 0 1 275.743 2.642 20 30 CFEDMN Cc1[nH+]c(CN=Nc2ccccc2C(=O)[O-])c2ccccn12 ZINC000914600541 623906646 /nfs/dbraw/zinc/90/66/46/623906646.db2.gz VWSFJAVSHKZVMF-UHFFFAOYSA-N 0 1 294.314 2.787 20 30 CFEDMN C[C@H](NN=C1CCCc2nc(N)ccc21)C(C)(C)C ZINC000834981693 623917893 /nfs/dbraw/zinc/91/78/93/623917893.db2.gz WPGMGKDQQRKKJJ-JTQLQIEISA-N 0 1 260.385 2.728 20 30 CFEDMN CC#CCN1CCC[C@H](NC(=O)C2CCCCCC2)[C@H]1C ZINC000993140970 623945375 /nfs/dbraw/zinc/94/53/75/623945375.db2.gz NZAIPVSSVOIHQD-WBVHZDCISA-N 0 1 290.451 2.949 20 30 CFEDMN FC(F)(F)c1ccc(N=NC2CN3CCC2CC3)nc1 ZINC000915049455 623975401 /nfs/dbraw/zinc/97/54/01/623975401.db2.gz VUHLSYYURLYICX-UHFFFAOYSA-N 0 1 284.285 2.594 20 30 CFEDMN C#Cc1cnc(NC[C@H](c2ccco2)N2CCCCC2)nc1 ZINC000827294512 623983412 /nfs/dbraw/zinc/98/34/12/623983412.db2.gz BZNKJOHCESTZJG-OAHLLOKOSA-N 0 1 296.374 2.690 20 30 CFEDMN CC#CCN1CCC[C@H](NC(=O)c2cscc2C)[C@H]1C ZINC000993197554 624015792 /nfs/dbraw/zinc/01/57/92/624015792.db2.gz DIEKBIRXNXBHPS-HIFRSBDPSA-N 0 1 290.432 2.663 20 30 CFEDMN C#C[C@@H](NCc1cc(Cl)ccc1OC)C1CCOCC1 ZINC000827570221 624034315 /nfs/dbraw/zinc/03/43/15/624034315.db2.gz JKUZGFNFHWNQEA-OAHLLOKOSA-N 0 1 293.794 2.867 20 30 CFEDMN C#C[C@@H](NCc1cscc1Cl)C1CCOCC1 ZINC000827566200 624034406 /nfs/dbraw/zinc/03/44/06/624034406.db2.gz TWYLIOXDYWVQEL-CYBMUJFWSA-N 0 1 269.797 2.920 20 30 CFEDMN C=C(C)C[N@@H+]1CCC[C@@H](NC(=O)c2csnc2C)[C@H]1C ZINC000993217094 624045027 /nfs/dbraw/zinc/04/50/27/624045027.db2.gz HLYGGERJKZYZTQ-TZMCWYRMSA-N 0 1 293.436 2.610 20 30 CFEDMN C=C(C)CN1CCC[C@@H](NC(=O)c2csnc2C)[C@H]1C ZINC000993217094 624045034 /nfs/dbraw/zinc/04/50/34/624045034.db2.gz HLYGGERJKZYZTQ-TZMCWYRMSA-N 0 1 293.436 2.610 20 30 CFEDMN C#CCCN(CCOC)Cc1ccccc1OCC1CC1 ZINC000827822856 624102413 /nfs/dbraw/zinc/10/24/13/624102413.db2.gz GHMNDIBOMGUQSS-UHFFFAOYSA-N 0 1 287.403 2.947 20 30 CFEDMN C#CCC[N@H+](CCOC)Cc1cc(Cl)cc(F)c1[O-] ZINC000827822960 624102483 /nfs/dbraw/zinc/10/24/83/624102483.db2.gz IGVYMJZSNGOTMF-UHFFFAOYSA-N 0 1 285.746 2.656 20 30 CFEDMN C#CCOc1ccccc1CN[C@H](c1ccccc1)[C@H](C)O ZINC000827855835 624111804 /nfs/dbraw/zinc/11/18/04/624111804.db2.gz JGBMKDHCECITGA-KXBFYZLASA-N 0 1 295.382 2.910 20 30 CFEDMN CCCCCCCCOCC(=O)N1CCC2(CN(C)C2)C1 ZINC000834526422 625702376 /nfs/dbraw/zinc/70/23/76/625702376.db2.gz OSPLSIJRLDMWTL-UHFFFAOYSA-N 0 1 296.455 2.528 20 30 CFEDMN C=CCN1CCC[C@@H](NC(=O)c2ccc(C)c(F)c2)[C@H]1C ZINC000993576327 624150709 /nfs/dbraw/zinc/15/07/09/624150709.db2.gz UEYIHQASJAGVEU-CZUORRHYSA-N 0 1 290.382 2.903 20 30 CFEDMN C#CCN1CCC[C@@H](NC(=O)c2ccccc2CCC)[C@H]1C ZINC000993561365 624152090 /nfs/dbraw/zinc/15/20/90/624152090.db2.gz KGJBZLIEVRWSAH-CRAIPNDOSA-N 0 1 298.430 2.855 20 30 CFEDMN CC#CCN1CCC[C@H](NC(=O)C2(C)CCCC2)[C@H]1C ZINC000993637385 624154922 /nfs/dbraw/zinc/15/49/22/624154922.db2.gz SFBOBJDHJIVCCV-CABCVRRESA-N 0 1 276.424 2.559 20 30 CFEDMN CC#CCN1CCC[C@@H](NC(=O)C(C)(C)C2CCC2)[C@@H]1C ZINC000993636284 624155402 /nfs/dbraw/zinc/15/54/02/624155402.db2.gz OYXVRKJCZBLFMI-GOEBONIOSA-N 0 1 290.451 2.805 20 30 CFEDMN C=CCN1CCC[C@@H](NC(=O)C2(C)CCCC2)[C@H]1C ZINC000993654225 624156430 /nfs/dbraw/zinc/15/64/30/624156430.db2.gz LYFCNLPACMCWTO-ZIAGYGMSSA-N 0 1 264.413 2.722 20 30 CFEDMN CC#CCN1CCC[C@H](NC(=O)C2(C)CCCCC2)[C@H]1C ZINC000993748277 624164889 /nfs/dbraw/zinc/16/48/89/624164889.db2.gz XZDUSSDIRREEEN-CVEARBPZSA-N 0 1 290.451 2.949 20 30 CFEDMN N#C[C@H]1CNC[C@@H]1NC(=O)c1ccc(C2CCCCC2)cc1 ZINC000834511845 625699641 /nfs/dbraw/zinc/69/96/41/625699641.db2.gz OXYKRANNNFMLBJ-IRXDYDNUSA-N 0 1 297.402 2.576 20 30 CFEDMN C=C(Cl)CN[C@@H]1CN(C(=O)c2ccc(C)o2)CC1(C)C ZINC000995435953 625700194 /nfs/dbraw/zinc/70/01/94/625700194.db2.gz MMCXYBWXDWKFCZ-CYBMUJFWSA-N 0 1 296.798 2.781 20 30 CFEDMN C=CCN1CCC[C@H](NC(=O)c2cc(C)cc(F)c2)[C@H]1C ZINC000993832188 624171015 /nfs/dbraw/zinc/17/10/15/624171015.db2.gz BAURKHTUEWYMFX-CJNGLKHVSA-N 0 1 290.382 2.903 20 30 CFEDMN C=CC[N@@H+]1CCC[C@H](NC(=O)c2oc(CC)cc2C)[C@@H]1C ZINC000994234406 624184533 /nfs/dbraw/zinc/18/45/33/624184533.db2.gz UEXGTKLWBMQTRH-ZFWWWQNUSA-N 0 1 290.407 2.919 20 30 CFEDMN C=CCN1CCC[C@H](NC(=O)c2oc(CC)cc2C)[C@@H]1C ZINC000994234406 624184535 /nfs/dbraw/zinc/18/45/35/624184535.db2.gz UEXGTKLWBMQTRH-ZFWWWQNUSA-N 0 1 290.407 2.919 20 30 CFEDMN C=CC[N@@H+]1CCC[C@H](NC(=O)c2oc(CC)cc2C)[C@H]1C ZINC000994234402 624184632 /nfs/dbraw/zinc/18/46/32/624184632.db2.gz UEXGTKLWBMQTRH-HIFRSBDPSA-N 0 1 290.407 2.919 20 30 CFEDMN C=CCN1CCC[C@H](NC(=O)c2oc(CC)cc2C)[C@H]1C ZINC000994234402 624184633 /nfs/dbraw/zinc/18/46/33/624184633.db2.gz UEXGTKLWBMQTRH-HIFRSBDPSA-N 0 1 290.407 2.919 20 30 CFEDMN Cc1n[nH]cc1C=NNc1ccc(C(F)(F)F)cn1 ZINC000915936953 624194691 /nfs/dbraw/zinc/19/46/91/624194691.db2.gz IDVKZBZYRYECIH-UHFFFAOYSA-N 0 1 269.230 2.578 20 30 CFEDMN N#CCOc1cccc(CN=Nc2nc3ccccc3[nH]2)c1 ZINC000915936743 624195034 /nfs/dbraw/zinc/19/50/34/624195034.db2.gz CUMLWEDMWIOUTF-UHFFFAOYSA-N 0 1 291.314 2.911 20 30 CFEDMN COc1ccc(C=NN=c2[nH]c3ccccc3n2C)c(O)c1 ZINC000915971430 624198753 /nfs/dbraw/zinc/19/87/53/624198753.db2.gz UVXIACGDUSDGQW-UHFFFAOYSA-N 0 1 296.330 2.734 20 30 CFEDMN CC(=NNCCN1CCCCC1)c1cccc(C)c1 ZINC000915973188 624198809 /nfs/dbraw/zinc/19/88/09/624198809.db2.gz CLUAFYIJSNQYCA-UHFFFAOYSA-N 0 1 259.397 2.795 20 30 CFEDMN CC1(C(=O)Nc2nc3ccc(C#N)cc3[nH]2)CC=CC1 ZINC000828261667 624215642 /nfs/dbraw/zinc/21/56/42/624215642.db2.gz RYOKURLDRGHOBX-UHFFFAOYSA-N 0 1 266.304 2.729 20 30 CFEDMN CCOc1cc(C=NNc2ccccn2)ccc1O ZINC000916276012 624234423 /nfs/dbraw/zinc/23/44/23/624234423.db2.gz GPZOIUSDGSYHNC-UHFFFAOYSA-N 0 1 257.293 2.632 20 30 CFEDMN C#CCOc1ccccc1C=NNc1ccccn1 ZINC000916274080 624234631 /nfs/dbraw/zinc/23/46/31/624234631.db2.gz YCHQXVPYUCQDIT-UHFFFAOYSA-N 0 1 251.289 2.540 20 30 CFEDMN CC(C)CN1c2ccccc2C(=N[N-]c2cccc[nH+]2)C1=O ZINC000916276269 624234722 /nfs/dbraw/zinc/23/47/22/624234722.db2.gz UOTBVMFYKFLYLA-UHFFFAOYSA-N 0 1 294.358 2.900 20 30 CFEDMN C=CCN1CCC[C@@H](NC(=O)[C@H]2CC[C@H](C)CC2)[C@H]1C ZINC000994274786 624268435 /nfs/dbraw/zinc/26/84/35/624268435.db2.gz NEKRTMIKLIBADU-KLHDSHLOSA-N 0 1 278.440 2.968 20 30 CFEDMN C=CC[N@@H+]1CCC[C@H](NC(=O)c2c(F)cccc2F)[C@@H]1C ZINC000994301914 624274997 /nfs/dbraw/zinc/27/49/97/624274997.db2.gz TZQZWXUPDZSHTA-FZMZJTMJSA-N 0 1 294.345 2.734 20 30 CFEDMN C=CCN1CCC[C@H](NC(=O)c2c(F)cccc2F)[C@@H]1C ZINC000994301914 624275000 /nfs/dbraw/zinc/27/50/00/624275000.db2.gz TZQZWXUPDZSHTA-FZMZJTMJSA-N 0 1 294.345 2.734 20 30 CFEDMN C=CCN1CCC[C@@H](NC(=O)c2ccc(F)cc2F)[C@H]1C ZINC000994334599 624277177 /nfs/dbraw/zinc/27/71/77/624277177.db2.gz YYUHWPWUELOMKH-IAQYHMDHSA-N 0 1 294.345 2.734 20 30 CFEDMN CC#CC[N@@H+]1CCC[C@H](NC(=O)c2ccc(CC)cc2)[C@H]1C ZINC000994357005 624277738 /nfs/dbraw/zinc/27/77/38/624277738.db2.gz WXJZXPZFQJAQHV-QAPCUYQASA-N 0 1 298.430 2.855 20 30 CFEDMN CC#CCN1CCC[C@H](NC(=O)c2ccc(CC)cc2)[C@H]1C ZINC000994357005 624277739 /nfs/dbraw/zinc/27/77/39/624277739.db2.gz WXJZXPZFQJAQHV-QAPCUYQASA-N 0 1 298.430 2.855 20 30 CFEDMN C#CC[N@@H+]1CCC[C@@H](NC(=O)C(C)(C)c2ccccc2)[C@@H]1C ZINC000994365106 624278452 /nfs/dbraw/zinc/27/84/52/624278452.db2.gz BXQFSUOSJCLIOA-DOTOQJQBSA-N 0 1 298.430 2.567 20 30 CFEDMN C#CCN1CCC[C@@H](NC(=O)C(C)(C)c2ccccc2)[C@@H]1C ZINC000994365106 624278453 /nfs/dbraw/zinc/27/84/53/624278453.db2.gz BXQFSUOSJCLIOA-DOTOQJQBSA-N 0 1 298.430 2.567 20 30 CFEDMN CCCCC(=O)C(C#N)C(=O)Nc1ccccc1OCC ZINC000916925117 624291972 /nfs/dbraw/zinc/29/19/72/624291972.db2.gz GNJITHRFZLWMTJ-GFCCVEGCSA-N 0 1 288.347 2.923 20 30 CFEDMN CC(C)NC(=O)[C@H](C#N)C(=O)C[C@@H](C)CC(C)(C)C ZINC000916951969 624294609 /nfs/dbraw/zinc/29/46/09/624294609.db2.gz PWTAPWVGOKOZSY-VXGBXAGGSA-N 0 1 266.385 2.682 20 30 CFEDMN C=CCN(CC(=O)N1CCc2sccc2C1)C(C)C ZINC000917070829 624308129 /nfs/dbraw/zinc/30/81/29/624308129.db2.gz GZGMHKWJLVFWHQ-UHFFFAOYSA-N 0 1 278.421 2.529 20 30 CFEDMN C=CCN(CC(=O)N(C)C1CCCCC1)C(C)C ZINC000917070830 624308184 /nfs/dbraw/zinc/30/81/84/624308184.db2.gz HAZLBOXGGFVQCU-UHFFFAOYSA-N 0 1 252.402 2.674 20 30 CFEDMN C#CCN1CCC[C@@H](NC(=O)c2cccc(C3CC3)c2)[C@H]1C ZINC000994484420 624312419 /nfs/dbraw/zinc/31/24/19/624312419.db2.gz HVBLXYBQVAXYRU-RDTXWAMCSA-N 0 1 296.414 2.780 20 30 CFEDMN CCc1cccc(NC(=O)CNCc2ccc(C#N)cc2)c1 ZINC000917137353 624316605 /nfs/dbraw/zinc/31/66/05/624316605.db2.gz KAHMOQQUVJCCDY-UHFFFAOYSA-N 0 1 293.370 2.849 20 30 CFEDMN C=CCN1CCC[C@@H](NC(=O)c2c(C)cccc2F)[C@H]1C ZINC000994515217 624325367 /nfs/dbraw/zinc/32/53/67/624325367.db2.gz CBSZWWRYOIIFAD-UKRRQHHQSA-N 0 1 290.382 2.903 20 30 CFEDMN C#CCN1CCC(Nc2ccc(C(F)(F)F)nc2)CC1 ZINC000214444900 624349564 /nfs/dbraw/zinc/34/95/64/624349564.db2.gz OISKCWPOGLNEGT-UHFFFAOYSA-N 0 1 283.297 2.610 20 30 CFEDMN COCCOc1cccc(C=NNc2ccccn2)c1 ZINC000917536898 624351826 /nfs/dbraw/zinc/35/18/26/624351826.db2.gz ZDEBTSRPWCBQPZ-UHFFFAOYSA-N 0 1 271.320 2.553 20 30 CFEDMN O=C(/C=C\c1ccc2c(c1)OCCO2)c1ccc(O)cc1O ZINC000033527278 624432652 /nfs/dbraw/zinc/43/26/52/624432652.db2.gz MZVRJKHSDWQUAT-KTAJNNJTSA-N 0 1 298.294 2.765 20 30 CFEDMN C#CC[C@@H]1CCCN(CC(=O)Nc2ccccc2CC)C1 ZINC000829769344 624529505 /nfs/dbraw/zinc/52/95/05/624529505.db2.gz SRJPNORXBBHUNF-OAHLLOKOSA-N 0 1 284.403 2.923 20 30 CFEDMN C#CC[C@H]1CCCN(CC(=O)N2CCCc3ccccc32)C1 ZINC000829769191 624529551 /nfs/dbraw/zinc/52/95/51/624529551.db2.gz QEGITOQWRXFNJY-INIZCTEOSA-N 0 1 296.414 2.701 20 30 CFEDMN C#CC[C@H]1CCCN(Cc2nc3ccccc3[nH]2)C1 ZINC000829774164 624531045 /nfs/dbraw/zinc/53/10/45/624531045.db2.gz MPVSUSUPRNGVLX-ZDUSSCGKSA-N 0 1 253.349 2.798 20 30 CFEDMN C#CC[C@H]1CCCN(Cc2nc(-c3ccoc3)no2)C1 ZINC000829785163 624536526 /nfs/dbraw/zinc/53/65/26/624536526.db2.gz RHYGLGKEXQHRSR-LBPRGKRZSA-N 0 1 271.320 2.565 20 30 CFEDMN C#CC[C@H]1CCCN(CC(=O)Nc2ccc(C)c(C)c2)C1 ZINC000829789664 624539654 /nfs/dbraw/zinc/53/96/54/624539654.db2.gz YUEPRNPIZCFLOV-INIZCTEOSA-N 0 1 284.403 2.977 20 30 CFEDMN CCOC(=O)[C@@H](C)/N=C\c1ccc(N(CC)CC)cc1O ZINC000920172877 624695402 /nfs/dbraw/zinc/69/54/02/624695402.db2.gz LYASGCZAPWEECN-ZSAINHDTSA-N 0 1 292.379 2.609 20 30 CFEDMN C#CC1CCN(CC(=O)N(CC)C2CCCCC2)CC1 ZINC000830301410 624703397 /nfs/dbraw/zinc/70/33/97/624703397.db2.gz MIPIRMWNVKQHQE-UHFFFAOYSA-N 0 1 276.424 2.513 20 30 CFEDMN C#CC1CCN(CC(=O)N[C@H](C)c2ccc(CC)cc2)CC1 ZINC000830301145 624703789 /nfs/dbraw/zinc/70/37/89/624703789.db2.gz GSQVSRVTHACTPE-OAHLLOKOSA-N 0 1 298.430 2.771 20 30 CFEDMN C#CC1CCN([C@@H](C)C(=O)Nc2cccc(C)c2)CC1 ZINC000830305407 624704068 /nfs/dbraw/zinc/70/40/68/624704068.db2.gz NHAVVZVZHJYGJX-AWEZNQCLSA-N 0 1 270.376 2.667 20 30 CFEDMN COc1ccc(NC(=O)c2c(C)n[nH]c2C(C)C)cc1C#N ZINC000830416637 624739969 /nfs/dbraw/zinc/73/99/69/624739969.db2.gz DAHUDZFUIBJMGR-UHFFFAOYSA-N 0 1 298.346 2.974 20 30 CFEDMN C#C[C@H]1CCCC[C@@H]1OC(=O)c1ccc(-c2nnc[nH]2)cc1 ZINC000851536320 634416212 /nfs/dbraw/zinc/41/62/12/634416212.db2.gz GPYPOOAQSRHKCN-WFASDCNBSA-N 0 1 295.342 2.821 20 30 CFEDMN N#Cc1cc(CNCc2ccc3c(c2)OCCO3)cs1 ZINC000921483181 624910305 /nfs/dbraw/zinc/91/03/05/624910305.db2.gz FYUAFGVSUBNLCO-UHFFFAOYSA-N 0 1 286.356 2.681 20 30 CFEDMN CCCCCCCCCN(C)[C@H]1CCS(=O)(=O)C1 ZINC000170836076 624935162 /nfs/dbraw/zinc/93/51/62/624935162.db2.gz XFLWIMQKIRENAH-AWEZNQCLSA-N 0 1 275.458 2.856 20 30 CFEDMN O=C(/C=C/c1cccc2nccn21)c1ccc(O)cc1O ZINC000180315458 625012879 /nfs/dbraw/zinc/01/28/79/625012879.db2.gz LAQGDRDHNBFIDO-QPJJXVBHSA-N 0 1 280.283 2.642 20 30 CFEDMN C=C(C)CN(C)CC(=O)NC1CCCCCCC1 ZINC000181263879 625094382 /nfs/dbraw/zinc/09/43/82/625094382.db2.gz MRYZKULVLQUHKR-UHFFFAOYSA-N 0 1 252.402 2.723 20 30 CFEDMN COC(=O)C1(C#N)CCN([C@H](C)c2ccccc2C)CC1 ZINC000831695496 625098288 /nfs/dbraw/zinc/09/82/88/625098288.db2.gz RVEYYBMSXBKIPW-CQSZACIVSA-N 0 1 286.375 2.835 20 30 CFEDMN C#CCO[C@@H](C)c1nc(-c2cc3nc[nH]c3c(C)c2)no1 ZINC000834606475 625734343 /nfs/dbraw/zinc/73/43/43/625734343.db2.gz IOQKGOYMXXCXEN-JTQLQIEISA-N 0 1 282.303 2.632 20 30 CFEDMN C=C(Cl)CN[C@H]1CN(C(=O)/C=C/C2CC2)CC1(C)C ZINC000995601260 625743565 /nfs/dbraw/zinc/74/35/65/625743565.db2.gz UYYJAOWJOOWNGC-YBJDMEARSA-N 0 1 282.815 2.532 20 30 CFEDMN C=C(Cl)CN[C@H]1CN(C(=O)C2CC=CC2)CC1(C)C ZINC000995611380 625744410 /nfs/dbraw/zinc/74/44/10/625744410.db2.gz TZUGPRAGSFFDAC-ZDUSSCGKSA-N 0 1 282.815 2.532 20 30 CFEDMN C=C(Cl)CN[C@H]1CN(C(=O)[C@H](C)C2CC2)CC1(C)C ZINC000995623244 625746043 /nfs/dbraw/zinc/74/60/43/625746043.db2.gz MVJPUXGRCABKLY-YPMHNXCESA-N 0 1 284.831 2.612 20 30 CFEDMN C=C(Cl)CN[C@@H]1CN(C(=O)c2coc(C)c2)CC1(C)C ZINC000995744037 625851427 /nfs/dbraw/zinc/85/14/27/625851427.db2.gz ZMFFOFSPPFVPDQ-CYBMUJFWSA-N 0 1 296.798 2.781 20 30 CFEDMN C#CCN(CC#CC)C[C@@H]1CCOc2ccccc21 ZINC000769447060 625924222 /nfs/dbraw/zinc/92/42/22/625924222.db2.gz FTYXEXHDWJEANI-HNNXBMFYSA-N 0 1 253.345 2.511 20 30 CFEDMN CCn1nnc(C)c1CN=Nc1c(F)cccc1Cl ZINC000834970023 625937755 /nfs/dbraw/zinc/93/77/55/625937755.db2.gz RWYKBFAKDIMOCL-UHFFFAOYSA-N 0 1 281.722 2.845 20 30 CFEDMN CC1(C)CC(=NNc2ccncn2)c2cc(O)ccc2O1 ZINC000835000455 625949876 /nfs/dbraw/zinc/94/98/76/625949876.db2.gz DSJKDACAIDECJG-UHFFFAOYSA-N 0 1 284.319 2.560 20 30 CFEDMN C[C@@H](NN=Cc1cc(F)c(O)c(F)c1)C(F)(F)F ZINC000835002093 625951198 /nfs/dbraw/zinc/95/11/98/625951198.db2.gz QVURIYZZLAQJIL-RXMQYKEDSA-N 0 1 268.185 2.545 20 30 CFEDMN C[C@H]1CC(N=Nc2ccc(C(=O)[O-])cc2F)C[N@H+]1C1CC1 ZINC000835011500 625957816 /nfs/dbraw/zinc/95/78/16/625957816.db2.gz GTRYXNONNKKXTE-VIFPVBQESA-N 0 1 291.326 2.548 20 30 CFEDMN CC1(C)OCC[C@H]1NN=C1CC[C@H]2CNc3cccc1c32 ZINC000835020719 625966008 /nfs/dbraw/zinc/96/60/08/625966008.db2.gz JZHXSNOOEUJIAQ-XHDPSFHLSA-N 0 1 285.391 2.851 20 30 CFEDMN C=C(Cl)CN[C@@H]1CCCN(C(=O)CC2CCCC2)C1 ZINC000998426459 626050064 /nfs/dbraw/zinc/05/00/64/626050064.db2.gz AMMCMPOQLLRDBU-CQSZACIVSA-N 0 1 284.831 2.900 20 30 CFEDMN C=C(Cl)CN[C@H]1CCCN(C(=O)C[C@H]2C=CCC2)C1 ZINC000998494119 626053525 /nfs/dbraw/zinc/05/35/25/626053525.db2.gz HIILNXRHPVNXPP-KBPBESRZSA-N 0 1 282.815 2.676 20 30 CFEDMN C=C(Cl)CN[C@H]1CCCN(C(=O)[C@H]2CC=CCC2)C1 ZINC000998506203 626054135 /nfs/dbraw/zinc/05/41/35/626054135.db2.gz NDVQHVLENMWLDZ-KBPBESRZSA-N 0 1 282.815 2.676 20 30 CFEDMN CC[C@@H](C)C(=O)N1CCC[C@H](NCc2ccccc2C#N)C1 ZINC000998587242 626057671 /nfs/dbraw/zinc/05/76/71/626057671.db2.gz JQEURACYSDIXFR-PBHICJAKSA-N 0 1 299.418 2.685 20 30 CFEDMN C=C(Cl)CN[C@@H]1CCCN(C(=O)/C=C(/C)C2CC2)C1 ZINC000998634833 626058532 /nfs/dbraw/zinc/05/85/32/626058532.db2.gz MHPWFWBALUEVKG-KOTGUFOOSA-N 0 1 282.815 2.676 20 30 CFEDMN C=CCN1CC[C@@H](NC(=O)C2(c3ccccc3C)CCC2)C1 ZINC001016125457 626062613 /nfs/dbraw/zinc/06/26/13/626062613.db2.gz YVPJQALJDIOSPS-MRXNPFEDSA-N 0 1 298.430 2.793 20 30 CFEDMN C=C[C@@](C)(CC)C(=O)N1CCC[C@@H](NCC(=C)Cl)C1 ZINC001000087640 626086764 /nfs/dbraw/zinc/08/67/64/626086764.db2.gz IMOGLZGJEKGNRV-HIFRSBDPSA-N 0 1 284.831 2.922 20 30 CFEDMN N#CCOc1ccc(CNCc2ccnn2C2CCC2)cc1 ZINC000921692114 626091079 /nfs/dbraw/zinc/09/10/79/626091079.db2.gz FFJXPFYZKCRQHX-UHFFFAOYSA-N 0 1 296.374 2.800 20 30 CFEDMN C=C(Cl)CN[C@H]1CCCN(C(=O)[C@H](C)c2ccco2)C1 ZINC001000177417 626092812 /nfs/dbraw/zinc/09/28/12/626092812.db2.gz JIOVJGKIMUSZHU-OLZOCXBDSA-N 0 1 296.798 2.716 20 30 CFEDMN C[C@H](O)c1ncc(C=NNc2c(F)cccc2F)s1 ZINC000773054462 626097717 /nfs/dbraw/zinc/09/77/17/626097717.db2.gz QWXYTYKXBKNORG-ZETCQYMHSA-N 0 1 283.303 2.921 20 30 CFEDMN C=C(Cl)CN[C@H]1CCCN(C(=O)c2cc(C)[nH]c2C)C1 ZINC001000317407 626109726 /nfs/dbraw/zinc/10/97/26/626109726.db2.gz VERIENQJZPVHSY-ZDUSSCGKSA-N 0 1 295.814 2.578 20 30 CFEDMN C#CCN1CC=C(CNC(=O)[C@H]2CCC(C)=C(C)C2)CC1 ZINC001000728951 626129517 /nfs/dbraw/zinc/12/95/17/626129517.db2.gz BADBWSRPXPINEB-KRWDZBQOSA-N 0 1 286.419 2.504 20 30 CFEDMN C[C@H](NCc1cnn(CCF)c1)c1cccc(C#N)c1 ZINC000921803856 626131797 /nfs/dbraw/zinc/13/17/97/626131797.db2.gz ZHAROXQXTJXIML-LBPRGKRZSA-N 0 1 272.327 2.575 20 30 CFEDMN C#CC[C@@H]1CCC[N@H+](Cc2ccc(C(=O)[O-])c(F)c2)C1 ZINC000851705282 634479404 /nfs/dbraw/zinc/47/94/04/634479404.db2.gz GZFRPHJPBHKVPL-GFCCVEGCSA-N 0 1 275.323 2.759 20 30 CFEDMN CC#CCN1CC=C(CNC(=O)[C@@H]2CCC[C@@H](C)C2)CC1 ZINC001001111513 626145833 /nfs/dbraw/zinc/14/58/33/626145833.db2.gz QPLIKNLZLWDAPF-NVXWUHKLSA-N 0 1 288.435 2.584 20 30 CFEDMN CC#CCN1CC=C(CNC(=O)[C@@H]2CCC(C)(C)C2)CC1 ZINC001001123807 626146176 /nfs/dbraw/zinc/14/61/76/626146176.db2.gz XBPZPOBNASOMGF-MRXNPFEDSA-N 0 1 288.435 2.584 20 30 CFEDMN CC#CCN1CC=C(CNC(=O)c2cc(C)cc(C)c2)CC1 ZINC001001400078 626156309 /nfs/dbraw/zinc/15/63/09/626156309.db2.gz VJDHPOQMJMJOFR-UHFFFAOYSA-N 0 1 296.414 2.689 20 30 CFEDMN CC#CCN1CCC(NC(=O)[C@@H]2C[C@H]2CC(C)(C)C)CC1 ZINC001002861950 626199312 /nfs/dbraw/zinc/19/93/12/626199312.db2.gz GNDKTVBWPGBTCO-GOEBONIOSA-N 0 1 290.451 2.663 20 30 CFEDMN CC[C@@H](CNCc1cc(C#N)ccc1Br)OC ZINC000922137781 626215163 /nfs/dbraw/zinc/21/51/63/626215163.db2.gz RYUNXJJEJGFKAQ-LBPRGKRZSA-N 0 1 297.196 2.835 20 30 CFEDMN C#Cc1ccc(CNCc2ccnn2C2CCC2)cc1 ZINC000922154399 626219733 /nfs/dbraw/zinc/21/97/33/626219733.db2.gz LJSQSCBGTNWKJH-UHFFFAOYSA-N 0 1 265.360 2.879 20 30 CFEDMN Cc1cc(C#N)cc(C)c1CNCc1n[nH]c(C(C)(C)C)n1 ZINC000922179613 626232736 /nfs/dbraw/zinc/23/27/36/626232736.db2.gz YCTUIBONEJFKNB-UHFFFAOYSA-N 0 1 297.406 2.881 20 30 CFEDMN C=C(C)CN1CC[C@@H](NC(=O)c2coc3ccccc23)C1 ZINC001016401199 626237159 /nfs/dbraw/zinc/23/71/59/626237159.db2.gz DRPROKNSNFZOFW-CYBMUJFWSA-N 0 1 284.359 2.813 20 30 CFEDMN C=CCOc1ccc(CNCC2OCCCO2)cc1Cl ZINC000922279449 626257789 /nfs/dbraw/zinc/25/77/89/626257789.db2.gz WQTPHKKUSHWDDQ-UHFFFAOYSA-N 0 1 297.782 2.757 20 30 CFEDMN CC(C)(Cc1ccc(C#N)cc1)NCc1cocn1 ZINC000922601034 626320989 /nfs/dbraw/zinc/32/09/89/626320989.db2.gz VOVWSSQMICLTKC-UHFFFAOYSA-N 0 1 255.321 2.657 20 30 CFEDMN C#CCN1CCC(NC(=O)N[C@@H](C)CCC=C(C)C)CC1 ZINC000922687087 626341610 /nfs/dbraw/zinc/34/16/10/626341610.db2.gz NLWGDPGTHZGBNO-HNNXBMFYSA-N 0 1 291.439 2.518 20 30 CFEDMN Cc1ccc(CNCc2cncn2C(C)C)cc1C#N ZINC000922760494 626359923 /nfs/dbraw/zinc/35/99/23/626359923.db2.gz UXJLDHHLNFOCAJ-UHFFFAOYSA-N 0 1 268.364 2.934 20 30 CFEDMN CC#CCN1CCC(N(C)C(=O)c2cccc(C)c2)CC1 ZINC001005076796 626408937 /nfs/dbraw/zinc/40/89/37/626408937.db2.gz RXJJZQPQOFKAHQ-UHFFFAOYSA-N 0 1 284.403 2.555 20 30 CFEDMN CC#CCN1CCC(N(C)C(=O)C2=CCCCCC2)CC1 ZINC001005303357 626414263 /nfs/dbraw/zinc/41/42/63/626414263.db2.gz PIWLAARFTKJZKD-UHFFFAOYSA-N 0 1 288.435 2.823 20 30 CFEDMN C#CCC1(NCc2nccn2-c2ccccc2)CCC1 ZINC000922996903 626440981 /nfs/dbraw/zinc/44/09/81/626440981.db2.gz AJUFZXXMOBMXQA-UHFFFAOYSA-N 0 1 265.360 2.908 20 30 CFEDMN N#Cc1ccc(CNC2([C@H]3CCCCO3)CC2)c(F)c1 ZINC000923029593 626445043 /nfs/dbraw/zinc/44/50/43/626445043.db2.gz IPCROJAKZYPXQM-OAHLLOKOSA-N 0 1 274.339 2.889 20 30 CFEDMN C=Cc1ccc(C(=O)N(C)C2CCN(CC#CC)CC2)cc1 ZINC001006040344 626464355 /nfs/dbraw/zinc/46/43/55/626464355.db2.gz YLZNDJUZNNMOMS-UHFFFAOYSA-N 0 1 296.414 2.889 20 30 CFEDMN CCc1nc([C@H](C)OC(=O)c2cc(C)c(C#N)c(C)c2)n[nH]1 ZINC000923434474 626472946 /nfs/dbraw/zinc/47/29/46/626472946.db2.gz PXVJZBOVTPICHI-NSHDSACASA-N 0 1 298.346 2.774 20 30 CFEDMN CC[C@]1(C(=O)[O-])CCC[N@@H+](CC2CCC(C#N)CC2)C1 ZINC000923472133 626475222 /nfs/dbraw/zinc/47/52/22/626475222.db2.gz NZJQJIPRUQVECS-XUJLQICISA-N 0 1 278.396 2.893 20 30 CFEDMN Cc1cc(C#N)cc(C)c1C[N@@H+]1C[C@@H](C(=O)[O-])[C@H](C2CC2)C1 ZINC000923531488 626478773 /nfs/dbraw/zinc/47/87/73/626478773.db2.gz RYCHSWVIXMADSA-DLBZAZTESA-N 0 1 298.386 2.718 20 30 CFEDMN CCOCCON=C1C[C@@H](C)N(Cc2ccccc2)C1 ZINC000774434923 626481561 /nfs/dbraw/zinc/48/15/61/626481561.db2.gz OLXBYWJHWPHTMK-CQSZACIVSA-N 0 1 276.380 2.690 20 30 CFEDMN CC#CCN1CCC(N(C)C(=O)[C@H]2CC[C@H](C)CC2)CC1 ZINC001006319159 626483005 /nfs/dbraw/zinc/48/30/05/626483005.db2.gz IYZQGUFJKMHPED-WKILWMFISA-N 0 1 290.451 2.759 20 30 CFEDMN Cc1cc(C(C#N)C(=O)[C@@H](C)C2CCC2)nc(C)n1 ZINC000838785423 626506619 /nfs/dbraw/zinc/50/66/19/626506619.db2.gz OIDXGSHEZUFHRV-GWCFXTLKSA-N 0 1 257.337 2.706 20 30 CFEDMN N#CC(C(=O)[C@@H]1C[C@H]2CC[C@@H]1O2)c1nccc2ccccc21 ZINC000838868401 626512165 /nfs/dbraw/zinc/51/21/65/626512165.db2.gz MINPZPGIAZJJGL-MIGQKNRLSA-N 0 1 292.338 2.979 20 30 CFEDMN C[C@]1(C(=O)C(C#N)c2cnc3ccccc3n2)CCCCO1 ZINC000838867634 626512257 /nfs/dbraw/zinc/51/22/57/626512257.db2.gz BLNZUQHNGNMTFM-SJKOYZFVSA-N 0 1 295.342 2.765 20 30 CFEDMN N#CC(C(=O)C=C[C@@H]1CCCO1)c1nc(C2CC2)cs1 ZINC000842942135 626523020 /nfs/dbraw/zinc/52/30/20/626523020.db2.gz GJFDHDYPJIVIIB-CYLBZQBVSA-N 0 1 288.372 2.932 20 30 CFEDMN N#C[C@H](C(=O)C=C[C@@H]1CCCO1)c1nc(C2CC2)cs1 ZINC000842942135 626523021 /nfs/dbraw/zinc/52/30/21/626523021.db2.gz GJFDHDYPJIVIIB-CYLBZQBVSA-N 0 1 288.372 2.932 20 30 CFEDMN N#CCCCN1CCC(Oc2ccc(Cl)cn2)CC1 ZINC000839200909 626532164 /nfs/dbraw/zinc/53/21/64/626532164.db2.gz KKZZKYHTMDASQX-UHFFFAOYSA-N 0 1 279.771 2.882 20 30 CFEDMN C=C(Cl)CNC1(C(=O)NCCC)CCCCC1 ZINC000839519911 626538029 /nfs/dbraw/zinc/53/80/29/626538029.db2.gz DWJNQZFQWGRKNI-UHFFFAOYSA-N 0 1 258.793 2.558 20 30 CFEDMN COC(=O)c1occc1/C=C\C(=O)c1ccc(C)cc1O ZINC000757475006 626553169 /nfs/dbraw/zinc/55/31/69/626553169.db2.gz FKYICELPMSYEJR-XQRVVYSFSA-N 0 1 286.283 2.976 20 30 CFEDMN O=C(/C=C\c1ccccc1-n1cncn1)c1ccccc1O ZINC000757473582 626553277 /nfs/dbraw/zinc/55/32/77/626553277.db2.gz DCSJRWAIJSQSTJ-KTKRTIGZSA-N 0 1 291.310 2.869 20 30 CFEDMN O=c1[nH]c(N=NCC2CCCC2)nc2ccccc21 ZINC000757582863 626555842 /nfs/dbraw/zinc/55/58/42/626555842.db2.gz GEEMGAXRXSSDCY-UHFFFAOYSA-N 0 1 256.309 2.923 20 30 CFEDMN Cc1c(CNC[C@@H](C)C#N)sc2nc(C)nc(C)c12 ZINC000757906138 626567267 /nfs/dbraw/zinc/56/72/67/626567267.db2.gz JNZRGWXAZVIYFA-QMMMGPOBSA-N 0 1 274.393 2.866 20 30 CFEDMN C[C@H](CC(=O)N(C)c1ccccc1)NCC(C)(C)C#N ZINC000757907849 626567372 /nfs/dbraw/zinc/56/73/72/626567372.db2.gz XPMPPGXBSTUXTJ-CYBMUJFWSA-N 0 1 273.380 2.567 20 30 CFEDMN Cc1cc([N+](=O)[O-])ccc1CN=Nc1ccccn1 ZINC000758081135 626575996 /nfs/dbraw/zinc/57/59/96/626575996.db2.gz OCUFVWPUGMYYLP-UHFFFAOYSA-N 0 1 256.265 2.744 20 30 CFEDMN CC(=NNC1CC1)c1cc(Br)cc(F)c1O ZINC000758132396 626578354 /nfs/dbraw/zinc/57/83/54/626578354.db2.gz CLNBMYCYFDLRQG-UHFFFAOYSA-N 0 1 287.132 2.770 20 30 CFEDMN CCC[C@@H](C)[C@H]1CCCN1Cn1cccc(C#N)c1=O ZINC000758236669 626584199 /nfs/dbraw/zinc/58/41/99/626584199.db2.gz DPXLHPOGEISLGR-UKRRQHHQSA-N 0 1 273.380 2.578 20 30 CFEDMN CN1CCCc2cc(C=NOCC(F)F)ccc21 ZINC000758900139 626616178 /nfs/dbraw/zinc/61/61/78/626616178.db2.gz PVBGPUXODYLZBM-UHFFFAOYSA-N 0 1 254.280 2.685 20 30 CFEDMN COc1cc2c(cc1CNCc1ccc(C#N)cc1)OCO2 ZINC000759136730 626630770 /nfs/dbraw/zinc/63/07/70/626630770.db2.gz QXCNKTRUJBMTRK-UHFFFAOYSA-N 0 1 296.326 2.585 20 30 CFEDMN CCC(=NNc1nc(C)cc(=O)[nH]1)c1ccc(N(C)C)cc1 ZINC000759179802 626633302 /nfs/dbraw/zinc/63/33/02/626633302.db2.gz QGUVNSMEHKWVRV-UHFFFAOYSA-N 0 1 299.378 2.783 20 30 CFEDMN C#CCCCC(=O)OC[C@@H]1CCCN1Cc1ccco1 ZINC000759596300 626674376 /nfs/dbraw/zinc/67/43/76/626674376.db2.gz CWSQCJLUQHPODW-AWEZNQCLSA-N 0 1 275.348 2.591 20 30 CFEDMN CCCCCCNC(=O)C(C#N)C(=O)[C@H]1CC12CCC2 ZINC000759822200 626693877 /nfs/dbraw/zinc/69/38/77/626693877.db2.gz SDQJVPVMDRMACZ-CHWSQXEVSA-N 0 1 276.380 2.582 20 30 CFEDMN CC(C)Oc1cc(C(=O)Nc2cc(C#N)ccc2O)ccn1 ZINC000760131266 626715715 /nfs/dbraw/zinc/71/57/15/626715715.db2.gz KIZWKZYYAVROSD-UHFFFAOYSA-N 0 1 297.314 2.698 20 30 CFEDMN Cc1cc(C)c(C=[NH+][N-]c2nc3ccccc3n2C)[nH]1 ZINC000760243809 626723472 /nfs/dbraw/zinc/72/34/72/626723472.db2.gz PFRALARHBQFNRV-UHFFFAOYSA-N 0 1 267.336 2.964 20 30 CFEDMN C(=NNc1ncnc2nc[nH]c21)c1cnc(C2CCC2)s1 ZINC000760254943 626724872 /nfs/dbraw/zinc/72/48/72/626724872.db2.gz XLHPJPVNEOJZDX-UHFFFAOYSA-N 0 1 299.363 2.523 20 30 CFEDMN N#CC(C(=O)CCc1ccccc1Cl)c1ccncn1 ZINC000760331719 626735242 /nfs/dbraw/zinc/73/52/42/626735242.db2.gz BWDJOYHLPMDRJQ-GFCCVEGCSA-N 0 1 285.734 2.939 20 30 CFEDMN CC[C@@H](Oc1ccccc1F)C(=O)C(C#N)c1ccncn1 ZINC000760335963 626735862 /nfs/dbraw/zinc/73/58/62/626735862.db2.gz WVIJRWMAMBQFOE-BXUZGUMPSA-N 0 1 299.305 2.650 20 30 CFEDMN N#CC(C(=O)C[C@H]1CCc2ccccc21)c1ccncn1 ZINC000760341827 626736994 /nfs/dbraw/zinc/73/69/94/626736994.db2.gz VWURVJSDYGTEQP-HIFRSBDPSA-N 0 1 277.327 2.773 20 30 CFEDMN N#C[C@H](C(=O)C12CC3CC(CC(C3)C1)C2)c1ccncn1 ZINC000760344153 626737727 /nfs/dbraw/zinc/73/77/27/626737727.db2.gz GSYMVGFYFYSURC-ZZTKBFGJSA-N 0 1 281.359 2.869 20 30 CFEDMN N#CC(C(=O)C=Cc1ccccc1F)c1ccncn1 ZINC000760356529 626739427 /nfs/dbraw/zinc/73/94/27/626739427.db2.gz HZVSUHCYZHKHRY-BTDICHCPSA-N 0 1 267.263 2.505 20 30 CFEDMN N#CC(C(=O)C[C@@H]1CCOc2ccccc21)c1ccncn1 ZINC000760360241 626739984 /nfs/dbraw/zinc/73/99/84/626739984.db2.gz XDMFKOWEUYSIPV-GXTWGEPZSA-N 0 1 293.326 2.609 20 30 CFEDMN CCCCCCCCN1CCC(S(C)(=O)=O)CC1 ZINC000760933802 626785743 /nfs/dbraw/zinc/78/57/43/626785743.db2.gz PXMHFZOPCQJJSY-UHFFFAOYSA-N 0 1 275.458 2.856 20 30 CFEDMN C=CCCCCCCNC(=O)CN(C)[C@@H]1CCSC1 ZINC000805218751 626793040 /nfs/dbraw/zinc/79/30/40/626793040.db2.gz LLWNUTRNTAUNFD-CQSZACIVSA-N 0 1 284.469 2.676 20 30 CFEDMN Cn1cnc2cc(CN=Nc3ccc(F)cn3)ccc21 ZINC000761259093 626819380 /nfs/dbraw/zinc/81/93/80/626819380.db2.gz PXTWUSSPIAEQSK-UHFFFAOYSA-N 0 1 269.283 2.553 20 30 CFEDMN Cc1ccc(C=N[N-]c2[nH]c3cc(F)c(F)cc3[nH+]2)nc1 ZINC000761804528 626859632 /nfs/dbraw/zinc/85/96/32/626859632.db2.gz PTOGBBLWGKMFPE-UHFFFAOYSA-N 0 1 287.273 2.991 20 30 CFEDMN Cc1ccc(C=NNc2nc3cc(F)c(F)cc3[nH]2)nc1 ZINC000761804528 626859637 /nfs/dbraw/zinc/85/96/37/626859637.db2.gz PTOGBBLWGKMFPE-UHFFFAOYSA-N 0 1 287.273 2.991 20 30 CFEDMN CCc1ccc(C=NNc2ccc(-n3ccnc3)nn2)s1 ZINC000761844600 626863663 /nfs/dbraw/zinc/86/36/63/626863663.db2.gz BGGDYACPPBPCFB-UHFFFAOYSA-N 0 1 298.375 2.732 20 30 CFEDMN Cn1cc(N=NCc2nc(-c3ccccc3)cs2)cn1 ZINC000761860894 626865588 /nfs/dbraw/zinc/86/55/88/626865588.db2.gz OKHAUGBEGFDATL-UHFFFAOYSA-N 0 1 283.360 2.990 20 30 CFEDMN COc1ccc2c(c1)C(C)(C)CC2N=Nc1cnn(C)c1 ZINC000761870569 626867519 /nfs/dbraw/zinc/86/75/19/626867519.db2.gz QXXPDLWRQXIRAG-UHFFFAOYSA-N 0 1 284.363 2.926 20 30 CFEDMN CC(C)Oc1cccc(CN=Nc2cnn(C)c2)c1 ZINC000761868607 626867814 /nfs/dbraw/zinc/86/78/14/626867814.db2.gz HUIVXILHWNDBDA-UHFFFAOYSA-N 0 1 258.325 2.653 20 30 CFEDMN Cn1cc(N=NCc2ccccc2OCC(F)(F)F)cn1 ZINC000761884281 626870164 /nfs/dbraw/zinc/87/01/64/626870164.db2.gz IHIBOVVGSIZHQW-UHFFFAOYSA-N 0 1 298.268 2.807 20 30 CFEDMN CCC(CC)[C@H](C)C(=O)C(C#N)C(=O)Nc1ccccn1 ZINC000762043119 626883711 /nfs/dbraw/zinc/88/37/11/626883711.db2.gz YUGUXYRUDREQKB-AAEUAGOBSA-N 0 1 287.363 2.801 20 30 CFEDMN C=CCCCCCN(C)CN1C[C@H](C2CC2)CC1=O ZINC000762493028 626918016 /nfs/dbraw/zinc/91/80/16/626918016.db2.gz CDWKFIVBBAVDBL-OAHLLOKOSA-N 0 1 264.413 2.881 20 30 CFEDMN CCc1nc([C@@H](C)NCc2ccc(O[C@@H](C)C#N)cc2)n[nH]1 ZINC000762627449 626927475 /nfs/dbraw/zinc/92/74/75/626927475.db2.gz IQVVQCWEBAGBGY-NWDGAFQWSA-N 0 1 299.378 2.509 20 30 CFEDMN N#CC1(COC(=O)c2ccc(O)c(Cl)c2)CC1 ZINC000762822963 626941370 /nfs/dbraw/zinc/94/13/70/626941370.db2.gz KTSUOZXGSYUQQY-UHFFFAOYSA-N 0 1 251.669 2.506 20 30 CFEDMN N#CCCCCOC(=O)c1ccc(O)c(Cl)c1 ZINC000762830033 626942225 /nfs/dbraw/zinc/94/22/25/626942225.db2.gz MLMHIIANHCVZDS-UHFFFAOYSA-N 0 1 253.685 2.896 20 30 CFEDMN C[C@@H]1CC(=NC(=O)c2cc3c(s2)CC[C@@H](C)C3)NO1 ZINC000763257324 626973668 /nfs/dbraw/zinc/97/36/68/626973668.db2.gz BOHIONWXJXYAFW-RKDXNWHRSA-N 0 1 278.377 2.725 20 30 CFEDMN C[C@@H]1CC(=NC(=O)c2ccc(Oc3ccccc3)o2)NO1 ZINC000763257422 626973690 /nfs/dbraw/zinc/97/36/90/626973690.db2.gz CFIWKNJTRWVJMN-SNVBAGLBSA-N 0 1 286.287 2.924 20 30 CFEDMN C[C@H]1CC(=NC(=O)c2cc3c(s2)CC[C@@H](C)C3)NO1 ZINC000763257313 626973720 /nfs/dbraw/zinc/97/37/20/626973720.db2.gz BOHIONWXJXYAFW-BDAKNGLRSA-N 0 1 278.377 2.725 20 30 CFEDMN C[C@@H]1CC(=NC(=O)c2cc3ccccc3s2)NO1 ZINC000763262293 626974077 /nfs/dbraw/zinc/97/40/77/626974077.db2.gz XGHRFOGDVMMHIW-MRVPVSSYSA-N 0 1 260.318 2.753 20 30 CFEDMN C#CCOCC[N@@H+]1CCC[C@H]1c1nc2ccccc2n1CC ZINC000851806643 634541741 /nfs/dbraw/zinc/54/17/41/634541741.db2.gz UGEHVVTVYDDMFI-KRWDZBQOSA-N 0 1 297.402 2.843 20 30 CFEDMN C#CCOCCN1CCC[C@H]1c1nc2ccccc2n1CC ZINC000851806643 634541744 /nfs/dbraw/zinc/54/17/44/634541744.db2.gz UGEHVVTVYDDMFI-KRWDZBQOSA-N 0 1 297.402 2.843 20 30 CFEDMN C#CCN(Cc1ccc(OCC=C)c(OC)c1)C1CC1 ZINC000764683869 627083508 /nfs/dbraw/zinc/08/35/08/627083508.db2.gz RMUDXWXICPOTSN-UHFFFAOYSA-N 0 1 271.360 2.858 20 30 CFEDMN C#CCN(Cc1ccc2c(c1)CC(C)(C)O2)C1CC1 ZINC000764684623 627084530 /nfs/dbraw/zinc/08/45/30/627084530.db2.gz ZPZLYNJVQTUBFQ-UHFFFAOYSA-N 0 1 255.361 2.998 20 30 CFEDMN Cc1ncc([C@@H](C)NCc2ccc(C#N)cc2)c(C)n1 ZINC000765015043 627112892 /nfs/dbraw/zinc/11/28/92/627112892.db2.gz MVZMCTFQUPGBJE-LLVKDONJSA-N 0 1 266.348 2.816 20 30 CFEDMN C[C@@H]1CC(NC(=O)c2ccccc2Oc2cccnc2)=NO1 ZINC000765377499 627133599 /nfs/dbraw/zinc/13/35/99/627133599.db2.gz TUEUMSOVKUAXCW-LLVKDONJSA-N 0 1 297.314 2.726 20 30 CFEDMN C[C@H]1CC(=NC(=O)c2ccc(C(C)(C)C)s2)NO1 ZINC000765385578 627134814 /nfs/dbraw/zinc/13/48/14/627134814.db2.gz VDYIVEZGJFVQFF-QMMMGPOBSA-N 0 1 266.366 2.898 20 30 CFEDMN C#CCSCCNc1cc(C)nc2ccc(F)cc21 ZINC000765513930 627143991 /nfs/dbraw/zinc/14/39/91/627143991.db2.gz GLYJHBFQGBQNSN-UHFFFAOYSA-N 0 1 274.364 2.883 20 30 CFEDMN Cc1ccc(C=NNC2=N[C@@H]3CCCC[C@@H]3N2)cc1Cl ZINC000766453619 627203840 /nfs/dbraw/zinc/20/38/40/627203840.db2.gz QCTOZFHZCPYGGU-OKILXGFUSA-N 0 1 290.798 2.842 20 30 CFEDMN C=C(Cl)CNS(=O)(=O)c1c(F)cccc1Cl ZINC000766507448 627206348 /nfs/dbraw/zinc/20/63/48/627206348.db2.gz WBSCUPHBVINQKX-UHFFFAOYSA-N 0 1 284.139 2.510 20 30 CFEDMN Fc1ccc(N=NCc2ccn(-c3ccccc3)n2)nc1 ZINC000766700968 627215568 /nfs/dbraw/zinc/21/55/68/627215568.db2.gz TYBAZIBXRBOFOY-UHFFFAOYSA-N 0 1 281.294 2.852 20 30 CFEDMN Cc1cc(Cl)ccc1C=NNc1ncnc2nc[nH]c21 ZINC000767370433 627245835 /nfs/dbraw/zinc/24/58/35/627245835.db2.gz GWYLYONSNDSSGO-UHFFFAOYSA-N 0 1 286.726 2.761 20 30 CFEDMN C=CCN(C(=O)c1cccc(-c2nnc[nH]2)c1)C(C)C ZINC000767413486 627248747 /nfs/dbraw/zinc/24/87/47/627248747.db2.gz BIYXYHVHSOQJIR-UHFFFAOYSA-N 0 1 270.336 2.508 20 30 CFEDMN COc1ccc(NN=C(C)c2cccnc2)c([N+](=O)[O-])c1 ZINC000767802014 627286160 /nfs/dbraw/zinc/28/61/60/627286160.db2.gz ZSYVASDNYIINLB-UHFFFAOYSA-N 0 1 286.291 2.835 20 30 CFEDMN N#Cc1ccc(O)c(NC(=O)c2ccnn2C2CCCC2)c1 ZINC000768184076 627323317 /nfs/dbraw/zinc/32/33/17/627323317.db2.gz BHSIKLVJHSGMJZ-UHFFFAOYSA-N 0 1 296.330 2.828 20 30 CFEDMN Cc1cc(C)n(-c2nncn2N=C[C@@H]2CCC[C@H](C)C2)n1 ZINC000768355890 627336132 /nfs/dbraw/zinc/33/61/32/627336132.db2.gz UYWROFMNKFGQOG-SMDDNHRTSA-N 0 1 286.383 2.741 20 30 CFEDMN N#Cc1cc(Cl)nc(NN=Cc2cscn2)c1 ZINC000768380618 627338854 /nfs/dbraw/zinc/33/88/54/627338854.db2.gz SAOMKCNKGQXHEV-UHFFFAOYSA-N 0 1 263.713 2.509 20 30 CFEDMN C#CCOc1ccc(C[N@@H+]2CCOC[C@H]2CC(C)C)cc1 ZINC000769399875 627434492 /nfs/dbraw/zinc/43/44/92/627434492.db2.gz WNPITZQERYJVDK-QGZVFWFLSA-N 0 1 287.403 2.946 20 30 CFEDMN C#CCOc1ccc(CN2CCOC[C@H]2CC(C)C)cc1 ZINC000769399875 627434494 /nfs/dbraw/zinc/43/44/94/627434494.db2.gz WNPITZQERYJVDK-QGZVFWFLSA-N 0 1 287.403 2.946 20 30 CFEDMN C[C@H]1CC(N=Nc2c(F)cccc2Cl)CN1C ZINC000769826210 627479550 /nfs/dbraw/zinc/47/95/50/627479550.db2.gz AZNRZDSPGDRBBA-QMMMGPOBSA-N 0 1 255.724 2.971 20 30 CFEDMN C#C[C@H](C)N(C)C[C@@H](O)c1ccc(Cl)cc1Cl ZINC000769960930 627491896 /nfs/dbraw/zinc/49/18/96/627491896.db2.gz FAFYLOWNYWZLOF-TVQRCGJNSA-N 0 1 272.175 2.980 20 30 CFEDMN C#C[C@H](C)N(C)Cc1cc(=O)oc2cc(C)c(C)cc12 ZINC000769961068 627491974 /nfs/dbraw/zinc/49/19/74/627491974.db2.gz OLCGVKQPWOVYOC-ZDUSSCGKSA-N 0 1 269.344 2.863 20 30 CFEDMN C#C[C@H](C)N(C)Cc1cc(=O)oc2cc(O)c(CC)cc12 ZINC000769977501 627494249 /nfs/dbraw/zinc/49/42/49/627494249.db2.gz GSGIFRURXZIHRF-NSHDSACASA-N 0 1 285.343 2.515 20 30 CFEDMN C=C(Cl)CN(C[C@@H](O)COc1ccccc1)C(C)C ZINC000770044671 627498346 /nfs/dbraw/zinc/49/83/46/627498346.db2.gz RQSCQYIFVGWLGL-CQSZACIVSA-N 0 1 283.799 2.889 20 30 CFEDMN CCC(=NNC[C@H](C)C#N)c1ccc(N(C)C)cc1 ZINC000771106967 627578153 /nfs/dbraw/zinc/57/81/53/627578153.db2.gz KAYNXBIRKVKSQL-GFCCVEGCSA-N 0 1 258.369 2.616 20 30 CFEDMN C=CCN(C(=O)c1ccc(-c2nnc[nH]2)cc1)C(C)C ZINC000771320261 627592821 /nfs/dbraw/zinc/59/28/21/627592821.db2.gz PSEDSRFYLHUUBU-UHFFFAOYSA-N 0 1 270.336 2.508 20 30 CFEDMN Cn1ncc2c1ncnc2NN=Cc1cscc1Cl ZINC000771877071 627641631 /nfs/dbraw/zinc/64/16/31/627641631.db2.gz JSIJOURWZHKXJA-UHFFFAOYSA-N 0 1 292.755 2.524 20 30 CFEDMN Cc1cc(C)n2c(CNCc3ccc(C#N)cc3)cnc2n1 ZINC000771943342 627652108 /nfs/dbraw/zinc/65/21/08/627652108.db2.gz KTNCHQBUIAXDEV-UHFFFAOYSA-N 0 1 291.358 2.508 20 30 CFEDMN C#CCN1CCC(C(=O)OC[C@H]2CCC[C@H](C)C2)CC1 ZINC000772116520 627674707 /nfs/dbraw/zinc/67/47/07/627674707.db2.gz RTIUMNDAUQIXPD-GJZGRUSLSA-N 0 1 277.408 2.701 20 30 CFEDMN C#Cc1ccc(C(=O)Nc2[nH]nc3c2cccc3Cl)nc1 ZINC000772730618 627740264 /nfs/dbraw/zinc/74/02/64/627740264.db2.gz UEIRYOPEKIVAKH-UHFFFAOYSA-N 0 1 296.717 2.845 20 30 CFEDMN C=Cn1cc(CN=Nc2ccc(Br)cn2)cn1 ZINC000773054050 627775292 /nfs/dbraw/zinc/77/52/92/627775292.db2.gz HLJFWDVTDPVDSF-UHFFFAOYSA-N 0 1 292.140 2.587 20 30 CFEDMN COc1cc(C=NNc2ccc(F)cn2)ccc1C ZINC000773055344 627775546 /nfs/dbraw/zinc/77/55/46/627775546.db2.gz XNAOQVOZEBAGFU-UHFFFAOYSA-N 0 1 259.284 2.984 20 30 CFEDMN CCC(=NNC1=N[C@@H]2CCCC[C@@H]2N1)c1ccc(C#N)cc1 ZINC000773067429 627777799 /nfs/dbraw/zinc/77/77/99/627777799.db2.gz HTYWSPYXHPLOJM-IYBDPMFKSA-N 0 1 295.390 2.532 20 30 CFEDMN CC[C@H](NCc1ccc(OC)c(C#N)c1)c1cnn(C)c1 ZINC000773085374 627781427 /nfs/dbraw/zinc/78/14/27/627781427.db2.gz XFUPVTAQYKGQCQ-HNNXBMFYSA-N 0 1 284.363 2.541 20 30 CFEDMN C#CCOCCN[C@H](C(=C)C)c1ccc(F)c(F)c1 ZINC000851945623 634603124 /nfs/dbraw/zinc/60/31/24/634603124.db2.gz FDSJIAFJYKAKQW-OAHLLOKOSA-N 0 1 265.303 2.821 20 30 CFEDMN C=CCCOCCN[C@H](C)c1c(C)onc1CC ZINC000773106716 627784429 /nfs/dbraw/zinc/78/44/29/627784429.db2.gz LRQOQKUYAIIMOW-LLVKDONJSA-N 0 1 252.358 2.789 20 30 CFEDMN CS[C@H](C)CCC(=O)C(C#N)C(=O)NC1CCCCC1 ZINC000773770745 627857667 /nfs/dbraw/zinc/85/76/67/627857667.db2.gz PCPIVLDVPCAFBR-YPMHNXCESA-N 0 1 296.436 2.676 20 30 CFEDMN C[C@H](CC(C)(C)C)C(=O)C(C#N)C(=O)Nc1ccccn1 ZINC000773989126 627876739 /nfs/dbraw/zinc/87/67/39/627876739.db2.gz ZZMZVRKYNZYCCA-NEPJUHHUSA-N 0 1 287.363 2.801 20 30 CFEDMN CCCCCCCCC(=O)N(C)C[C@@H](C)c1nn[nH]n1 ZINC000774001164 627877161 /nfs/dbraw/zinc/87/71/61/627877161.db2.gz DFBQLNUZEFJQDY-GFCCVEGCSA-N 0 1 281.404 2.512 20 30 CFEDMN CCCCCCCCC(=O)N(C)C[C@H](C)c1nn[nH]n1 ZINC000774001165 627877509 /nfs/dbraw/zinc/87/75/09/627877509.db2.gz DFBQLNUZEFJQDY-LBPRGKRZSA-N 0 1 281.404 2.512 20 30 CFEDMN Cc1cccc2nc([C@H](C#N)C(=O)[C@@H]3CCOC[C@@H]3C)[nH]c21 ZINC000774113402 627889801 /nfs/dbraw/zinc/88/98/01/627889801.db2.gz VUSZZYWQPZKNCB-YNEHKIRRSA-N 0 1 297.358 2.720 20 30 CFEDMN COC(=O)c1coc(/C=C\C(=O)c2ccc(C)cc2O)c1 ZINC000774136757 627892848 /nfs/dbraw/zinc/89/28/48/627892848.db2.gz SYJXMTSDIMPQND-XQRVVYSFSA-N 0 1 286.283 2.976 20 30 CFEDMN CCOCCON=Cc1cc(Cl)cc(F)c1O ZINC000774414672 627922627 /nfs/dbraw/zinc/92/26/27/627922627.db2.gz JKEWJWNZZCYVCC-UHFFFAOYSA-N 0 1 261.680 2.572 20 30 CFEDMN C[C@@H](NCC(=O)Nc1ccc(O)cc1)c1ccc(C#N)cc1 ZINC000775164340 627996822 /nfs/dbraw/zinc/99/68/22/627996822.db2.gz WZLJWTLTOLHMSX-GFCCVEGCSA-N 0 1 295.342 2.553 20 30 CFEDMN C#C[C@H](NCc1ccc(OC(C)C)cc1)[C@H]1CCCO1 ZINC000775339326 628011594 /nfs/dbraw/zinc/01/15/94/628011594.db2.gz BOIOWIFOGNHPBO-DLBZAZTESA-N 0 1 273.376 2.744 20 30 CFEDMN C#C[C@H](NCc1cnc2ccccc2c1)[C@@H]1CCCO1 ZINC000775343344 628012794 /nfs/dbraw/zinc/01/27/94/628012794.db2.gz WEHDWOWEZBTROQ-RDJZCZTQSA-N 0 1 266.344 2.505 20 30 CFEDMN C#C[C@@H](NCc1coc2ccccc12)[C@@H]1CCCO1 ZINC000775343646 628012898 /nfs/dbraw/zinc/01/28/98/628012898.db2.gz XEFITFCPIIPTMR-ZBFHGGJFSA-N 0 1 255.317 2.703 20 30 CFEDMN C#C[C@@H](NCc1ccc(SC)cc1)[C@@H]1CCCO1 ZINC000775346536 628014372 /nfs/dbraw/zinc/01/43/72/628014372.db2.gz CGNABXVCGNYPKY-CABCVRRESA-N 0 1 261.390 2.679 20 30 CFEDMN C#C[C@H](N[C@H]1CCc2ccc(F)cc21)[C@@H]1CCCO1 ZINC000775571350 628039512 /nfs/dbraw/zinc/03/95/12/628039512.db2.gz FZIYYBJSLWTFSK-JYJNAYRXSA-N 0 1 259.324 2.583 20 30 CFEDMN C#C[C@H](N[C@H](C)c1cc(F)cc(F)c1)[C@@H]1CCCO1 ZINC000775572662 628041039 /nfs/dbraw/zinc/04/10/39/628041039.db2.gz STYWUBGTWYZDEE-ONERCXAPSA-N 0 1 265.303 2.796 20 30 CFEDMN C#C[C@H](N[C@H](C)c1cc([N+](=O)[O-])ccc1C)[C@H]1CCCO1 ZINC000775573357 628041234 /nfs/dbraw/zinc/04/12/34/628041234.db2.gz HNBIWTKTZORPCA-UHOFOFEASA-N 0 1 288.347 2.735 20 30 CFEDMN C#C[C@H]([NH2+][C@@H](C)c1cc(Cl)ccc1[O-])[C@@H]1CCCO1 ZINC000775574844 628042518 /nfs/dbraw/zinc/04/25/18/628042518.db2.gz SKJDVRGKABGXLI-XEGUGMAKSA-N 0 1 279.767 2.877 20 30 CFEDMN C#C[C@H](NCc1ccc(C(C)(C)C#N)cc1)[C@@H]1CCCO1 ZINC000775791885 628068862 /nfs/dbraw/zinc/06/88/62/628068862.db2.gz OSEOMFARFZZTJR-IRXDYDNUSA-N 0 1 282.387 2.758 20 30 CFEDMN C#C[C@@H](NCc1ccc(C(C)(C)C#N)cc1)[C@H]1CCCO1 ZINC000775791884 628069180 /nfs/dbraw/zinc/06/91/80/628069180.db2.gz OSEOMFARFZZTJR-IAGOWNOFSA-N 0 1 282.387 2.758 20 30 CFEDMN C#C[C@@H](NCc1cc(F)cc2cccnc21)[C@H]1CCCO1 ZINC000775794612 628069885 /nfs/dbraw/zinc/06/98/85/628069885.db2.gz JJPSEWBKFQEQQC-HZPDHXFCSA-N 0 1 284.334 2.644 20 30 CFEDMN C#CCOc1ccccc1NC(=O)CN1[C@H](C)CC[C@@H]1C ZINC000775940383 628086544 /nfs/dbraw/zinc/08/65/44/628086544.db2.gz GFFJKYZZVTZAHV-OKILXGFUSA-N 0 1 286.375 2.510 20 30 CFEDMN COC(=O)Cn1cccc1CN=Nc1cc(C)ccc1F ZINC000776187238 628113670 /nfs/dbraw/zinc/11/36/70/628113670.db2.gz DMZJFCWPHAMZOC-UHFFFAOYSA-N 0 1 289.310 2.555 20 30 CFEDMN CN(C)c1ccncc1C=NNCCCc1ccccc1 ZINC000776186703 628113927 /nfs/dbraw/zinc/11/39/27/628113927.db2.gz RRRIAVOZVRWKGG-UHFFFAOYSA-N 0 1 282.391 2.704 20 30 CFEDMN CC(C)(C#N)CCOC(=O)c1cc(-c2ccco2)n[nH]1 ZINC000776371636 628137640 /nfs/dbraw/zinc/13/76/40/628137640.db2.gz ISIJNKPNSQYRTP-UHFFFAOYSA-N 0 1 273.292 2.766 20 30 CFEDMN N#C[C@H](OC(=O)c1[nH]nc2c1CCCC2)C1CCCCC1 ZINC000776373955 628137779 /nfs/dbraw/zinc/13/77/79/628137779.db2.gz UBDKNTUDDKOLSY-AWEZNQCLSA-N 0 1 287.363 2.918 20 30 CFEDMN CCc1cc(CN[C@@H](C)c2ccc(C#N)c(F)c2)n[nH]1 ZINC000776740800 628173530 /nfs/dbraw/zinc/17/35/30/628173530.db2.gz OIUHGKPICOYZHS-JTQLQIEISA-N 0 1 272.327 2.834 20 30 CFEDMN CCc1cc(CN[C@@H](C)c2ccc(C#N)c(F)c2)[nH]n1 ZINC000776740800 628173531 /nfs/dbraw/zinc/17/35/31/628173531.db2.gz OIUHGKPICOYZHS-JTQLQIEISA-N 0 1 272.327 2.834 20 30 CFEDMN C#C[C@H](NCc1cc(F)cc(Cl)c1)[C@H]1CCCO1 ZINC000776800526 628179140 /nfs/dbraw/zinc/17/91/40/628179140.db2.gz OKXYOHBTTMIUTR-UONOGXRCSA-N 0 1 267.731 2.750 20 30 CFEDMN CCN(CC)c1ccc(C=NN[C@H](C)COC)cc1F ZINC000777895525 628262609 /nfs/dbraw/zinc/26/26/09/628262609.db2.gz ZWJVMUHRKNRQIH-GFCCVEGCSA-N 0 1 281.375 2.630 20 30 CFEDMN CN(C)c1ccncc1C=[NH+][N-]c1cc(Cl)ccn1 ZINC000777906308 628264091 /nfs/dbraw/zinc/26/40/91/628264091.db2.gz WPSRDMWJIDMMKG-UHFFFAOYSA-N 0 1 275.743 2.642 20 30 CFEDMN COc1ccc2nc(NN=Cc3cc[nH]n3)c(C)cc2c1 ZINC000777912183 628264517 /nfs/dbraw/zinc/26/45/17/628264517.db2.gz SJNVZZFWYZQBAC-UHFFFAOYSA-N 0 1 281.319 2.721 20 30 CFEDMN C/C=C(/C)C(=O)NC1(C#N)CCN(Cc2ccccc2)CC1 ZINC000778112964 628277897 /nfs/dbraw/zinc/27/78/97/628277897.db2.gz IUYUQUHZIIJYQU-CQPUUCJISA-N 0 1 297.402 2.627 20 30 CFEDMN C#CCOc1cccc(Cl)c1CN[C@@H]1CCSC1 ZINC000778172311 628283548 /nfs/dbraw/zinc/28/35/48/628283548.db2.gz HPKZWVYUKKRMFP-LLVKDONJSA-N 0 1 281.808 2.947 20 30 CFEDMN C=CC[C@H](C(=O)OCc1n[nH]c(CC)n1)c1ccccc1 ZINC000778426557 628306435 /nfs/dbraw/zinc/30/64/35/628306435.db2.gz GHTZAABVBUTNDO-ZDUSSCGKSA-N 0 1 285.347 2.770 20 30 CFEDMN C=CC[C@H](C(=O)NOCC(F)(F)F)c1ccccc1 ZINC000778999624 628343736 /nfs/dbraw/zinc/34/37/36/628343736.db2.gz NUFRNMWKDNHFHS-NSHDSACASA-N 0 1 273.254 2.956 20 30 CFEDMN C#CCOc1cccc(Cl)c1CN(C)C[C@H]1CCOC1 ZINC000779164985 628357712 /nfs/dbraw/zinc/35/77/12/628357712.db2.gz WSGAKRTYLXGIPQ-CYBMUJFWSA-N 0 1 293.794 2.820 20 30 CFEDMN CCC(CC)CN[C@H]1CN(C(=O)OC(C)(C)C)C[C@@H]1C#N ZINC000779341354 628375635 /nfs/dbraw/zinc/37/56/35/628375635.db2.gz PMKVWJPIVCWIDZ-KBPBESRZSA-N 0 1 295.427 2.771 20 30 CFEDMN CC(C)(C)CCN[C@@H]1CN(C(=O)OC(C)(C)C)C[C@H]1C#N ZINC000779394673 628378259 /nfs/dbraw/zinc/37/82/59/628378259.db2.gz FFYBOLNPMBEGSV-CHWSQXEVSA-N 0 1 295.427 2.771 20 30 CFEDMN C#C[C@@](C)(CC)NCC(=O)Nc1ccccc1OC(F)F ZINC000852098090 634651851 /nfs/dbraw/zinc/65/18/51/634651851.db2.gz FICMHJDUIIPFRG-HNNXBMFYSA-N 0 1 296.317 2.618 20 30 CFEDMN FC(F)(F)CCN1CCC(=NO[C@@H]2CCCCO2)CC1 ZINC000779783125 628403239 /nfs/dbraw/zinc/40/32/39/628403239.db2.gz LDRXGZUJMVIVAT-GFCCVEGCSA-N 0 1 294.317 2.934 20 30 CFEDMN COc1cccc(NN=Cc2c[nH]nc2C(C)(C)C)n1 ZINC000779816193 628410294 /nfs/dbraw/zinc/41/02/94/628410294.db2.gz CQDDQNWLFUQSJD-UHFFFAOYSA-N 0 1 273.340 2.557 20 30 CFEDMN O=[N+]([O-])c1ccc(O)cc1C=NNc1ccc2n[nH]cc2c1 ZINC000779820302 628411306 /nfs/dbraw/zinc/41/13/06/628411306.db2.gz GNPRQPVXYDETNY-UHFFFAOYSA-N 0 1 297.274 2.623 20 30 CFEDMN C#C[C@@](C)(CC)NCC(=O)Nc1cc(Cl)ccc1OC ZINC000852099921 634654802 /nfs/dbraw/zinc/65/48/02/634654802.db2.gz RSIQIVRTVSQXJW-HNNXBMFYSA-N 0 1 294.782 2.679 20 30 CFEDMN C#C[C@](C)(CC)[NH2+]Cc1cc(F)cc(C(C)=O)c1[O-] ZINC000852101430 634655889 /nfs/dbraw/zinc/65/58/89/634655889.db2.gz FBIFGASZTOFNNG-OAHLLOKOSA-N 0 1 263.312 2.625 20 30 CFEDMN COc1ccc(NN=C(C)c2cnn(C(C)C)c2)nc1 ZINC000780266742 628448205 /nfs/dbraw/zinc/44/82/05/628448205.db2.gz AMJSNHAPLBEDDW-UHFFFAOYSA-N 0 1 273.340 2.704 20 30 CFEDMN CCn1nc(CN=Nc2ccc(OC)cn2)c2ccccc21 ZINC000780271094 628449150 /nfs/dbraw/zinc/44/91/50/628449150.db2.gz PFAYBTIWRKMPLO-UHFFFAOYSA-N 0 1 295.346 2.906 20 30 CFEDMN C#CCOc1ccc(CN2CCC(C)(C#N)CC2)cc1 ZINC000780782130 628497225 /nfs/dbraw/zinc/49/72/25/628497225.db2.gz LFZJNWVQPGYJSC-UHFFFAOYSA-N 0 1 268.360 2.824 20 30 CFEDMN CN(C)c1nc(Cl)c(C=NNc2ccnc(F)c2)s1 ZINC000781126849 628523729 /nfs/dbraw/zinc/52/37/29/628523729.db2.gz FOBBCCJYEACMCG-UHFFFAOYSA-N 0 1 299.762 2.843 20 30 CFEDMN C#CC[C@@H](OC(=O)c1ccc([N+](=O)[O-])[nH]1)C(C)(C)C ZINC000781557178 628559788 /nfs/dbraw/zinc/55/97/88/628559788.db2.gz VWPXUPLQDHMIQE-SNVBAGLBSA-N 0 1 264.281 2.518 20 30 CFEDMN CC1(C)CC[C@H](C(=O)C(C#N)C(=O)NCc2ccccc2)C1 ZINC000781763299 628579102 /nfs/dbraw/zinc/57/91/02/628579102.db2.gz WGQZZQGGDWMULO-LSDHHAIUSA-N 0 1 298.386 2.838 20 30 CFEDMN C#CCCCN[C@@H](c1ccn(C)n1)c1ccc(F)cc1 ZINC000781895875 628589799 /nfs/dbraw/zinc/58/97/99/628589799.db2.gz FSXJQSZWYHHUPH-MRXNPFEDSA-N 0 1 271.339 2.652 20 30 CFEDMN N#CCC1CCN(C[C@@H](O)c2ccc(F)c(F)c2)CC1 ZINC000782087520 628603012 /nfs/dbraw/zinc/60/30/12/628603012.db2.gz GEALQBBNPXXNBG-OAHLLOKOSA-N 0 1 280.318 2.624 20 30 CFEDMN C[C@H](C1CC1)[N@H+]1CCO[C@@H](c2cccc(C#N)c2)C1 ZINC000782189936 628612533 /nfs/dbraw/zinc/61/25/33/628612533.db2.gz KGAQMSXCKNAACP-MLGOLLRUSA-N 0 1 256.349 2.730 20 30 CFEDMN C[C@H](C1CC1)N1CCO[C@@H](c2cccc(C#N)c2)C1 ZINC000782189936 628612535 /nfs/dbraw/zinc/61/25/35/628612535.db2.gz KGAQMSXCKNAACP-MLGOLLRUSA-N 0 1 256.349 2.730 20 30 CFEDMN COc1cc(C(C)=NNc2cc(Cl)ccn2)ccn1 ZINC000782268271 628621748 /nfs/dbraw/zinc/62/17/48/628621748.db2.gz OOTADAPMZBUFPW-UHFFFAOYSA-N 0 1 276.727 2.975 20 30 CFEDMN C=C(Br)COC(=O)c1cccc2[nH]ncc21 ZINC000783146310 628677439 /nfs/dbraw/zinc/67/74/39/628677439.db2.gz ZVGJLNRONYWPCZ-UHFFFAOYSA-N 0 1 281.109 2.628 20 30 CFEDMN CCC[C@@H](NCc1ccc(C#N)cn1)c1cccnc1 ZINC000783294854 628698315 /nfs/dbraw/zinc/69/83/15/628698315.db2.gz XEVOQSHLEKUSAJ-MRXNPFEDSA-N 0 1 266.348 2.979 20 30 CFEDMN C[C@@H](NCc1ccc(C#N)cn1)c1ccc(N(C)C)cc1 ZINC000783300701 628698984 /nfs/dbraw/zinc/69/89/84/628698984.db2.gz PYYOUIIQDOGZAM-CYBMUJFWSA-N 0 1 280.375 2.870 20 30 CFEDMN C=C[C@@](C)(CCOC)C(=O)NOC1CCCCC1 ZINC000783717602 628737970 /nfs/dbraw/zinc/73/79/70/628737970.db2.gz MJLIQYWQGXYQIZ-AWEZNQCLSA-N 0 1 255.358 2.596 20 30 CFEDMN CC(C)C(N)=NOCc1ccc(C#N)cc1Cl ZINC000783985489 628760251 /nfs/dbraw/zinc/76/02/51/628760251.db2.gz CUEHVOXPUJFWGX-UHFFFAOYSA-N 0 1 251.717 2.866 20 30 CFEDMN N#Cc1ccc(COC(=O)c2cccc3[nH]ncc32)cc1F ZINC000785589907 628896188 /nfs/dbraw/zinc/89/61/88/628896188.db2.gz KDKDVHANOYNVAW-UHFFFAOYSA-N 0 1 295.273 2.931 20 30 CFEDMN Cc1cc(COC(=O)CN2[C@H](C)CC[C@H]2C)ccc1C#N ZINC000785725519 628907972 /nfs/dbraw/zinc/90/79/72/628907972.db2.gz AJAQMWFRWUUEJJ-ZIAGYGMSSA-N 0 1 286.375 2.783 20 30 CFEDMN Cc1cc(C#N)ccc1COC(=O)CN1[C@@H](C)CC[C@@H]1C ZINC000785745201 628910568 /nfs/dbraw/zinc/91/05/68/628910568.db2.gz ZGOCZPKATCSGSO-KBPBESRZSA-N 0 1 286.375 2.783 20 30 CFEDMN C#Cc1cccc(N(CC)C(=O)c2ccc3cncn3c2)c1 ZINC000786082692 628935138 /nfs/dbraw/zinc/93/51/38/628935138.db2.gz OIDCHBVFSBSMFY-UHFFFAOYSA-N 0 1 289.338 2.982 20 30 CFEDMN C=CCCC(=O)COC(=O)c1c(C)n[nH]c1C(C)C ZINC000786345361 628950677 /nfs/dbraw/zinc/95/06/77/628950677.db2.gz VKRPCXPRTOYKRM-UHFFFAOYSA-N 0 1 264.325 2.534 20 30 CFEDMN Cc1cccc2nc([C@@H](C#N)C(=O)[C@@H]3CCCOCC3)[nH]c21 ZINC000786422038 628955454 /nfs/dbraw/zinc/95/54/54/628955454.db2.gz JMJLCOOKTRINRA-OLZOCXBDSA-N 0 1 297.358 2.864 20 30 CFEDMN C=CCC[N@H+](C)Cc1cc(Cl)cc([N+](=O)[O-])c1[O-] ZINC000786577660 628969292 /nfs/dbraw/zinc/96/92/92/628969292.db2.gz BRZGOXSXWUPJFK-UHFFFAOYSA-N 0 1 270.716 2.962 20 30 CFEDMN C#C[C@H](N[C@H](C)c1cnn(C(C)(C)C)c1C)[C@H]1CCCO1 ZINC000786936733 628985584 /nfs/dbraw/zinc/98/55/84/628985584.db2.gz WHVDXNYTBOSIGH-UHOFOFEASA-N 0 1 289.423 2.778 20 30 CFEDMN CC(=O)C(C#N)C(=O)N[C@@H](C)c1ccc(Cl)cc1Cl ZINC000787051904 628990635 /nfs/dbraw/zinc/99/06/35/628990635.db2.gz VQXCQSCWJQLONB-WRWORJQWSA-N 0 1 299.157 2.899 20 30 CFEDMN CC(C)(C)CCCCC(=O)C(C#N)C(=O)N1CCCC1 ZINC000805850875 629030719 /nfs/dbraw/zinc/03/07/19/629030719.db2.gz IKMLYQLMRHAAJI-CYBMUJFWSA-N 0 1 278.396 2.924 20 30 CFEDMN C#CCC1(C(=O)NCCN2CC=C(C)CC2)CCCCC1 ZINC000788240180 629053360 /nfs/dbraw/zinc/05/33/60/629053360.db2.gz IRMVEEVJGAWGBX-UHFFFAOYSA-N 0 1 288.435 2.728 20 30 CFEDMN N#Cc1ccc(O)c(NC(=O)c2cc(O)ccc2Cl)c1 ZINC000788305623 629057519 /nfs/dbraw/zinc/05/75/19/629057519.db2.gz NQGNFXVLKHMPEK-UHFFFAOYSA-N 0 1 288.690 2.875 20 30 CFEDMN Cc1cc(NN=Cc2ccc(-c3cc[nH]n3)o2)nc(C)n1 ZINC000788425986 629065624 /nfs/dbraw/zinc/06/56/24/629065624.db2.gz MCNZYLSHNUJDPV-UHFFFAOYSA-N 0 1 282.307 2.523 20 30 CFEDMN N#Cc1ccc(CNCc2ccc(-c3cc[nH]n3)o2)cc1 ZINC000788506147 629075520 /nfs/dbraw/zinc/07/55/20/629075520.db2.gz AVFJEHQGQVSVHA-UHFFFAOYSA-N 0 1 278.315 2.831 20 30 CFEDMN CCC(N=Nc1ccc(Br)nc1)c1cn[nH]c1 ZINC000789018128 629117343 /nfs/dbraw/zinc/11/73/43/629117343.db2.gz PBMVJQYTMJCRJU-UHFFFAOYSA-N 0 1 294.156 2.793 20 30 CFEDMN Cc1ccc2nc(C=NNc3ccncc3Cl)cn2c1 ZINC000789024565 629118182 /nfs/dbraw/zinc/11/81/82/629118182.db2.gz WVUVDPWMMJFGKK-UHFFFAOYSA-N 0 1 285.738 2.559 20 30 CFEDMN C#CCn1ccc(CN(CC)CCCOC(C)(C)C)n1 ZINC000789332398 629148096 /nfs/dbraw/zinc/14/80/96/629148096.db2.gz RDQGUFJBZTZSPE-UHFFFAOYSA-N 0 1 277.412 2.543 20 30 CFEDMN CC(C)[C@H](C(=O)O[C@@H](C)c1ccc(C#N)cc1)N(C)C ZINC000789803885 629189435 /nfs/dbraw/zinc/18/94/35/629189435.db2.gz YWKDGVURGSQOEN-SWLSCSKDSA-N 0 1 274.364 2.749 20 30 CFEDMN COc1cccc(O)c1CN=Nc1ncccc1C ZINC000790187538 629217535 /nfs/dbraw/zinc/21/75/35/629217535.db2.gz XBXVHZVUBDILKY-UHFFFAOYSA-N 0 1 257.293 2.550 20 30 CFEDMN CC[C@H](C)NN=C1CCN(Cc2ccccn2)C[C@@H]1C ZINC000790190878 629217926 /nfs/dbraw/zinc/21/79/26/629217926.db2.gz RVEWXIREVDHXLT-KBPBESRZSA-N 0 1 274.412 2.668 20 30 CFEDMN Cc1ccc[nH+]c1[N-]N=Cc1cnc2ccccc2n1 ZINC000790190681 629218217 /nfs/dbraw/zinc/21/82/17/629218217.db2.gz KQVYJOWAQCEZLU-UHFFFAOYSA-N 0 1 263.304 2.779 20 30 CFEDMN CCCC(=N[N-]c1[nH+]ccn1C)c1cccc([N+](=O)[O-])c1 ZINC000790299495 629226827 /nfs/dbraw/zinc/22/68/27/629226827.db2.gz CRNKGROBNQNHBJ-UHFFFAOYSA-N 0 1 287.323 2.945 20 30 CFEDMN Cn1ccnc1NN=Cc1cn(CCC#N)c2ccccc12 ZINC000790300359 629227392 /nfs/dbraw/zinc/22/73/92/629227392.db2.gz UXIKJNUYYBGWTQ-UHFFFAOYSA-N 0 1 292.346 2.734 20 30 CFEDMN CCc1cccc2c(C=NNc3nccn3C)c[nH]c21 ZINC000790299663 629227858 /nfs/dbraw/zinc/22/78/58/629227858.db2.gz GSUIKJLVUXJLPY-UHFFFAOYSA-N 0 1 267.336 2.910 20 30 CFEDMN Cn1cc[nH+]c1[N-]N=Cc1c(O)ccc2ccccc21 ZINC000790301540 629228290 /nfs/dbraw/zinc/22/82/90/629228290.db2.gz GEJPHEYOLHFPNJ-UHFFFAOYSA-N 0 1 266.304 2.725 20 30 CFEDMN C[C@H]1CC(N=Nc2cccc(F)c2[N+](=O)[O-])CN1C1CC1 ZINC000790310790 629230690 /nfs/dbraw/zinc/23/06/90/629230690.db2.gz PSDQVBNMFQLVNV-VIFPVBQESA-N 0 1 292.314 2.758 20 30 CFEDMN C#C[C@@H](CCC)N[C@@H](CCCC)C(=O)Nc1cc(C)on1 ZINC000790546856 629247414 /nfs/dbraw/zinc/24/74/14/629247414.db2.gz QHTUGMFMNIEZPG-KBPBESRZSA-N 0 1 291.395 2.872 20 30 CFEDMN C#CCOc1ccc(CN2CCO[C@@H](C(C)(C)C)C2)cc1 ZINC000790932125 629272111 /nfs/dbraw/zinc/27/21/11/629272111.db2.gz UVCKQPVIENJKOM-QGZVFWFLSA-N 0 1 287.403 2.946 20 30 CFEDMN C[C@]1(C2CC2)CN(Cc2ccc(OCC#N)cc2)CCO1 ZINC000852323439 634722176 /nfs/dbraw/zinc/72/21/76/634722176.db2.gz ITAKRKSBIYPNEC-QGZVFWFLSA-N 0 1 286.375 2.590 20 30 CFEDMN C#C[C@H](NC/C=C/c1ccc(N(C)C)cc1)[C@@H]1CCCO1 ZINC000835047993 629346266 /nfs/dbraw/zinc/34/62/66/629346266.db2.gz XPQFTUMMDPBUIY-KEEVIKFDSA-N 0 1 284.403 2.536 20 30 CFEDMN C#C[C@H](CCC)NC(=O)[C@H](c1ccccc1)N(C)CC ZINC000791743873 629351763 /nfs/dbraw/zinc/35/17/63/629351763.db2.gz UMMJRGDZAIWXSL-CVEARBPZSA-N 0 1 272.392 2.598 20 30 CFEDMN CCCCCNC(=O)C(C#N)C(=O)[C@@H]1C[C@H]1CC(C)C ZINC000835057502 629361784 /nfs/dbraw/zinc/36/17/84/629361784.db2.gz UVUNMLWULTXQGO-MCIONIFRSA-N 0 1 278.396 2.684 20 30 CFEDMN Cc1cc(C(C#N)C(=O)[C@@H]2C[C@H]2CC(C)C)nc(C)n1 ZINC000835058698 629362426 /nfs/dbraw/zinc/36/24/26/629362426.db2.gz BAQSQRJVWWHUEN-MCIONIFRSA-N 0 1 271.364 2.952 20 30 CFEDMN N#C[C@H](C(=O)C[C@@H]1CC[C@@H]2C[C@@H]21)C(=O)NC1CCCCC1 ZINC000835063971 629366026 /nfs/dbraw/zinc/36/60/26/629366026.db2.gz SLOGRJXJMLGTHQ-PAPYEOQZSA-N 0 1 288.391 2.580 20 30 CFEDMN C[C@@H]1CC[C@H](C(=O)C(C#N)C(=O)NC2CCCC2)C[C@@H]1C ZINC000835074042 629371773 /nfs/dbraw/zinc/37/17/73/629371773.db2.gz QYWLRWHMQAKFAU-UKTARXLSSA-N 0 1 290.407 2.826 20 30 CFEDMN C=CCN(Cc1ccc(Cl)nc1)[C@@H](C)COC ZINC000852356952 634731906 /nfs/dbraw/zinc/73/19/06/634731906.db2.gz SMYNGBIACZGPPP-NSHDSACASA-N 0 1 254.761 2.758 20 30 CFEDMN N#CC(C(=O)[C@H]1C[C@]12CCOC2)c1nccc2ccccc21 ZINC000792099851 629397105 /nfs/dbraw/zinc/39/71/05/629397105.db2.gz JRKQMVVGVKDZSK-DAYGRLMNSA-N 0 1 292.338 2.838 20 30 CFEDMN N#CC(C(=O)[C@@H]1CCCOC1)c1nccc2ccccc21 ZINC000792094028 629397404 /nfs/dbraw/zinc/39/74/04/629397404.db2.gz MCAKCBJHMKXFCR-UKRRQHHQSA-N 0 1 280.327 2.838 20 30 CFEDMN N#CC(C(=O)[C@@H]1[C@@H]2CCCO[C@H]12)c1nccc2ccccc21 ZINC000792107197 629397705 /nfs/dbraw/zinc/39/77/05/629397705.db2.gz VCWJIWINKQENDM-XSWJXKHESA-N 0 1 292.338 2.836 20 30 CFEDMN CCO[C@H](CC)C(=O)C(C#N)c1cnc2ccccc2n1 ZINC000792111164 629399081 /nfs/dbraw/zinc/39/90/81/629399081.db2.gz XPSQOCJPHHFDEV-XHDPSFHLSA-N 0 1 283.331 2.621 20 30 CFEDMN C#Cc1ccc(CN=Nc2nc3ccccc3[nH]2)cc1 ZINC000792631242 629440167 /nfs/dbraw/zinc/44/01/67/629440167.db2.gz GMOGBMIAWGHDAP-UHFFFAOYSA-N 0 1 260.300 2.990 20 30 CFEDMN CCC[C@H](OC)C(=O)[C@H](C#N)c1nc2cccc(C)c2[nH]1 ZINC000835171768 629488241 /nfs/dbraw/zinc/48/82/41/629488241.db2.gz HHYXOZLALHQCNF-AAEUAGOBSA-N 0 1 285.347 2.863 20 30 CFEDMN C=CC[C@@H]1CCC[N@H+](CC(=O)Nc2ccc(O)cc2)C1 ZINC000852410212 634740083 /nfs/dbraw/zinc/74/00/83/634740083.db2.gz JVCWKKDJQRXVKW-CYBMUJFWSA-N 0 1 274.364 2.619 20 30 CFEDMN C=CC[C@@H]1CCCN(CC(=O)Nc2ccc(O)cc2)C1 ZINC000852410212 634740088 /nfs/dbraw/zinc/74/00/88/634740088.db2.gz JVCWKKDJQRXVKW-CYBMUJFWSA-N 0 1 274.364 2.619 20 30 CFEDMN Cc1nn(-c2ccncc2)cc1C=NN[C@H](C)C(C)(C)C ZINC000793111724 629488707 /nfs/dbraw/zinc/48/87/07/629488707.db2.gz LIZYABYYMQHAQH-CYBMUJFWSA-N 0 1 285.395 2.934 20 30 CFEDMN Cc1cc(CN=Nc2cccc(Cl)n2)sn1 ZINC000793163228 629495785 /nfs/dbraw/zinc/49/57/85/629495785.db2.gz ZWCMYQQTZOPBOQ-UHFFFAOYSA-N 0 1 252.730 2.946 20 30 CFEDMN Cn1cc(CN=Nc2cccc(Cl)n2)c(C(F)F)n1 ZINC000793174492 629498696 /nfs/dbraw/zinc/49/86/96/629498696.db2.gz JRCCYQILOMVKLW-UHFFFAOYSA-N 0 1 285.685 2.852 20 30 CFEDMN C=CCCCCC[C@@H](C)NCc1nnnn1C1CC1 ZINC000793542754 629567246 /nfs/dbraw/zinc/56/72/46/629567246.db2.gz XBSITOBIIGGOCA-GFCCVEGCSA-N 0 1 263.389 2.623 20 30 CFEDMN Cc1cc([C@@H](C)N[C@H]2CCc3cc(C#N)ccc32)n(C)n1 ZINC000793564664 629572955 /nfs/dbraw/zinc/57/29/55/629572955.db2.gz IOLOYLYVNOUAGP-WBMJQRKESA-N 0 1 280.375 2.938 20 30 CFEDMN CC1CCC(OCC(=O)Nc2cc(C#N)ccc2O)CC1 ZINC000793734474 629589817 /nfs/dbraw/zinc/58/98/17/629589817.db2.gz BQBMKAVKRPDRSH-UHFFFAOYSA-N 0 1 288.347 2.798 20 30 CFEDMN C=CCC1(C(=O)OCc2n[nH]c(CC)n2)CCCC1 ZINC000835291101 629600482 /nfs/dbraw/zinc/60/04/82/629600482.db2.gz JAHJYCQOOWCCQL-UHFFFAOYSA-N 0 1 263.341 2.547 20 30 CFEDMN CCC[C@@H](OC)C(=O)C(C#N)c1cnc2ccccc2n1 ZINC000835348036 629647420 /nfs/dbraw/zinc/64/74/20/629647420.db2.gz HYUUQOZDMFQGLU-IAQYHMDHSA-N 0 1 283.331 2.621 20 30 CFEDMN Cn1ccnc1NN=C(COC(F)(F)F)c1ccccc1 ZINC000794540921 629657235 /nfs/dbraw/zinc/65/72/35/629657235.db2.gz GKXFIRFIZNGOCC-UHFFFAOYSA-N 0 1 298.268 2.773 20 30 CFEDMN CCC(=O)c1ccc(O)c(NC(=O)C#Cc2ccccc2)c1 ZINC000794622980 629669762 /nfs/dbraw/zinc/66/97/62/629669762.db2.gz KIZXZYBYQXRIAS-UHFFFAOYSA-N 0 1 293.322 2.975 20 30 CFEDMN C#CCO[C@H](C)C(=O)C(C#N)c1ncc(C(C)(C)C)s1 ZINC000835388551 629675273 /nfs/dbraw/zinc/67/52/73/629675273.db2.gz SMLQUCCZNOESLK-GHMZBOCLSA-N 0 1 290.388 2.655 20 30 CFEDMN c1ccc([C@@H]2CCCC2N=NCCN2CCCCC2)nc1 ZINC000794895716 629701077 /nfs/dbraw/zinc/70/10/77/629701077.db2.gz HVJWAUUYEQLLSK-HNNXBMFYSA-N 0 1 286.423 2.781 20 30 CFEDMN Cc1cnn(C)c1CN=Nc1cccc(Cl)c1F ZINC000794903819 629701703 /nfs/dbraw/zinc/70/17/03/629701703.db2.gz PQARANYHNZYRDS-UHFFFAOYSA-N 0 1 266.707 2.967 20 30 CFEDMN FC(F)Oc1cccc(C=NNc2cncnc2)c1 ZINC000794979732 629715725 /nfs/dbraw/zinc/71/57/25/629715725.db2.gz QYBPFSWTTHFIQH-UHFFFAOYSA-N 0 1 264.235 2.524 20 30 CFEDMN FC(F)(F)Oc1ccc(C=NNc2cncnc2)cc1 ZINC000794979292 629715969 /nfs/dbraw/zinc/71/59/69/629715969.db2.gz UXRAFHZSKOSTNG-UHFFFAOYSA-N 0 1 282.225 2.821 20 30 CFEDMN Cn1cc(C=NNc2cccc(F)n2)c(C(C)(C)C)n1 ZINC000795006053 629721683 /nfs/dbraw/zinc/72/16/83/629721683.db2.gz JKLQXCMAISITNT-UHFFFAOYSA-N 0 1 275.331 2.698 20 30 CFEDMN COc1cc(C)c(C=NNc2cccc(F)n2)c(C)n1 ZINC000795006503 629722534 /nfs/dbraw/zinc/72/25/34/629722534.db2.gz OMCHECUXNUTOCH-UHFFFAOYSA-N 0 1 274.299 2.687 20 30 CFEDMN CC(=NNc1cccc(F)n1)c1ccc(O)cc1F ZINC000795007450 629723012 /nfs/dbraw/zinc/72/30/12/629723012.db2.gz FZGFTGBEOMVFAA-UHFFFAOYSA-N 0 1 263.247 2.902 20 30 CFEDMN Fc1ccc2c(c1)OCCC2=NNc1cccc(F)n1 ZINC000795007495 629723349 /nfs/dbraw/zinc/72/33/49/629723349.db2.gz HZKVFEOVKJBVRR-UHFFFAOYSA-N 0 1 275.258 2.959 20 30 CFEDMN N#Cc1ccc(O)c(NC(=O)[C@@H]2CCC(F)(F)C2)c1 ZINC000795152181 629739444 /nfs/dbraw/zinc/73/94/44/629739444.db2.gz XWESSDYYKCQQQD-SECBINFHSA-N 0 1 266.247 2.638 20 30 CFEDMN N#CC(C(=O)Nc1ccccn1)C(=O)C1CCCCCC1 ZINC000102122778 629814871 /nfs/dbraw/zinc/81/48/71/629814871.db2.gz OJBYSNWAFTXEDK-ZDUSSCGKSA-N 0 1 285.347 2.699 20 30 CFEDMN CC(C)NC(=O)[C@H](C#N)C(=O)C[C@H](C)C1CCCCC1 ZINC000102120740 629815186 /nfs/dbraw/zinc/81/51/86/629815186.db2.gz RLASTAFWMRSEAQ-GXTWGEPZSA-N 0 1 278.396 2.826 20 30 CFEDMN C=C(C)CN(CCO[C@@H](C)C#N)Cc1cnn(C(C)C)c1 ZINC000796453697 629919929 /nfs/dbraw/zinc/91/99/29/629919929.db2.gz MKQCKHHRXNAKRM-HNNXBMFYSA-N 0 1 290.411 2.771 20 30 CFEDMN CC1(C)CC(CC(=O)C(C#N)C(=O)NCc2ccccc2)C1 ZINC000796745141 629958714 /nfs/dbraw/zinc/95/87/14/629958714.db2.gz GGACZOHPULIRND-HNNXBMFYSA-N 0 1 298.386 2.838 20 30 CFEDMN CC[C@@](C)(OC)C(=O)C(C#N)c1cnc2ccccc2n1 ZINC000796899370 629986297 /nfs/dbraw/zinc/98/62/97/629986297.db2.gz JPGKNNQVMBBWIC-MEDUHNTESA-N 0 1 283.331 2.621 20 30 CFEDMN N#C[C@@H](C(=O)C[C@H]1CCC(F)(F)C1)C(=O)NC1CCCC1 ZINC000797942412 630128495 /nfs/dbraw/zinc/12/84/95/630128495.db2.gz DXBNDLNWAQVOEA-PWSUYJOCSA-N 0 1 298.333 2.580 20 30 CFEDMN CC(C)[C@H](C(=O)C(C#N)c1nc2ccccc2o1)N(C)C ZINC000798817687 630241621 /nfs/dbraw/zinc/24/16/21/630241621.db2.gz FJISCNUAEMRPEP-BXUZGUMPSA-N 0 1 285.347 2.590 20 30 CFEDMN Cc1ccc(C(=O)Nc2cc(CN(C)C)ccn2)cc1C#N ZINC000799346347 630302193 /nfs/dbraw/zinc/30/21/93/630302193.db2.gz KEYOVNOFMBMWQK-UHFFFAOYSA-N 0 1 294.358 2.576 20 30 CFEDMN FC(F)(F)CCON=Cc1cc(C(F)(F)F)n[nH]1 ZINC000799485455 630313873 /nfs/dbraw/zinc/31/38/73/630313873.db2.gz SVSSOYZSOQKTLW-UHFFFAOYSA-N 0 1 275.152 2.731 20 30 CFEDMN CCCCCCCS(=O)(=O)Nc1ncccc1OC ZINC000799637792 630326909 /nfs/dbraw/zinc/32/69/09/630326909.db2.gz TXJIZTOURZZIQH-UHFFFAOYSA-N 0 1 286.397 2.802 20 30 CFEDMN C[C@H]1CC[C@@H](C=Nn2c(=O)c3ccccc3[nH]c2=S)C1 ZINC000800809303 630406484 /nfs/dbraw/zinc/40/64/84/630406484.db2.gz IPRDEAGSBLAZPM-WDEREUQCSA-N 0 1 287.388 2.955 20 30 CFEDMN C[C@H](C#N)OCCN1CCSC[C@H]1c1ccccc1 ZINC000801922364 630488601 /nfs/dbraw/zinc/48/86/01/630488601.db2.gz VHHCNMVJXKPYPS-HIFRSBDPSA-N 0 1 276.405 2.705 20 30 CFEDMN C[C@H](C#N)OCCN1CC[C@@H](c2c(F)cccc2F)C1 ZINC000801942023 630492852 /nfs/dbraw/zinc/49/28/52/630492852.db2.gz GBYHZPSIDRPHRI-VXGBXAGGSA-N 0 1 280.318 2.683 20 30 CFEDMN C#CCCN(CCOC)Cc1cc(Cl)cc2c1OCC2 ZINC000852749187 634823103 /nfs/dbraw/zinc/82/31/03/634823103.db2.gz RUEFLKJIMXASNA-UHFFFAOYSA-N 0 1 293.794 2.747 20 30 CFEDMN C=CCCCCCN(C)CN1CCC(C)(C)C1=O ZINC000840008622 630629674 /nfs/dbraw/zinc/62/96/74/630629674.db2.gz WNTXACARYKJMEF-UHFFFAOYSA-N 0 1 252.402 2.881 20 30 CFEDMN C=CCN1CCN(CN2CC[C@@H](c3cccc(C)c3)C2)C1=O ZINC000840045905 630680735 /nfs/dbraw/zinc/68/07/35/630680735.db2.gz JQDUHKZCGZCEDF-QGZVFWFLSA-N 0 1 299.418 2.665 20 30 CFEDMN CCN1C[C@H](C)N(c2nc(Cl)c(C#N)s2)C[C@@H]1C ZINC000804586579 630760897 /nfs/dbraw/zinc/76/08/97/630760897.db2.gz IRWHCZAICZYZEZ-IUCAKERBSA-N 0 1 284.816 2.587 20 30 CFEDMN C=C(Cl)CN[C@@H](C)c1cccc(-n2ccnn2)c1 ZINC000806147440 630774462 /nfs/dbraw/zinc/77/44/62/630774462.db2.gz XFPYBYRKPAJEFO-NSHDSACASA-N 0 1 262.744 2.670 20 30 CFEDMN C(=NNc1nccc2sccc21)c1cnccn1 ZINC000807964582 630927167 /nfs/dbraw/zinc/92/71/67/630927167.db2.gz NJLMKOARELZHAZ-UHFFFAOYSA-N 0 1 255.306 2.532 20 30 CFEDMN CN(C)c1ccncc1C=[NH+][N-]c1nccnc1C1CCC1 ZINC000807990898 630932431 /nfs/dbraw/zinc/93/24/31/630932431.db2.gz FWOAZAGWCUAGGR-UHFFFAOYSA-N 0 1 296.378 2.651 20 30 CFEDMN C#CCCCCCC(=O)N1CCN([C@@H](C)CC)CC1 ZINC000837005952 630936289 /nfs/dbraw/zinc/93/62/89/630936289.db2.gz WSWHLUIHWGGYEG-HNNXBMFYSA-N 0 1 264.413 2.513 20 30 CFEDMN CC(C)C[C@@H](C)CC(=O)C(C#N)C(=O)Nc1ccccn1 ZINC000102707927 630954027 /nfs/dbraw/zinc/95/40/27/630954027.db2.gz PLMJVDXVMZGHTC-OLZOCXBDSA-N 0 1 287.363 2.801 20 30 CFEDMN Cc1cc(C#N)cc(NC(=O)Cc2n[nH]c3c2CCCC3)c1 ZINC000837142683 630962705 /nfs/dbraw/zinc/96/27/05/630962705.db2.gz XNYLKOHQLHGWKY-UHFFFAOYSA-N 0 1 294.358 2.650 20 30 CFEDMN C=C(Cl)CNCc1ccc(OC)c(OC)c1C ZINC000808391058 630986072 /nfs/dbraw/zinc/98/60/72/630986072.db2.gz IBKYKNMHCMPBJE-UHFFFAOYSA-N 0 1 255.745 2.854 20 30 CFEDMN CC(C)(C)C#CC(=O)N1CCN(C2CCCCC2)CC1 ZINC000837477746 631043212 /nfs/dbraw/zinc/04/32/12/631043212.db2.gz JJSKTDPNOCDZFD-UHFFFAOYSA-N 0 1 276.424 2.513 20 30 CFEDMN C[C@@H](C#N)OCCN1Cc2ccccc2OC(C)(C)C1 ZINC000808791481 631049501 /nfs/dbraw/zinc/04/95/01/631049501.db2.gz ZQWFWBYRPRBZEE-ZDUSSCGKSA-N 0 1 274.364 2.588 20 30 CFEDMN C=CCCCON=C(N)CN1[C@H](C)CCC[C@@H]1C ZINC000809374293 631219048 /nfs/dbraw/zinc/21/90/48/631219048.db2.gz IFWLBTADSCOPFZ-BETUJISGSA-N 0 1 253.390 2.714 20 30 CFEDMN C#Cc1ccc(CN2CCN(c3cc(C)ccn3)CC2)cc1 ZINC000809549821 631232315 /nfs/dbraw/zinc/23/23/15/631232315.db2.gz NKGIIVJOKMNBMI-UHFFFAOYSA-N 0 1 291.398 2.694 20 30 CFEDMN C#Cc1ccc(CN2CCN(c3cnccc3C)CC2)cc1 ZINC000809660276 631259055 /nfs/dbraw/zinc/25/90/55/631259055.db2.gz FBKWCURPFRHGMS-UHFFFAOYSA-N 0 1 291.398 2.694 20 30 CFEDMN C#C[C@H](C)NCc1ccccc1OCc1ccncc1 ZINC000809683288 631260842 /nfs/dbraw/zinc/26/08/42/631260842.db2.gz XVNUWPRARVFLCR-AWEZNQCLSA-N 0 1 266.344 2.772 20 30 CFEDMN C#C[C@H](C)NCc1ccc(-c2ccc(C(=O)OC)cc2)o1 ZINC000809683685 631261482 /nfs/dbraw/zinc/26/14/82/631261482.db2.gz KKFWNQZUDVFOMX-LBPRGKRZSA-N 0 1 283.327 2.845 20 30 CFEDMN C#C[C@@H](NCc1nc2ccc(Cl)cc2n1C)C(C)C ZINC000809685846 631262384 /nfs/dbraw/zinc/26/23/84/631262384.db2.gz VAAKHOHWDZHSPS-GFCCVEGCSA-N 0 1 275.783 2.974 20 30 CFEDMN Cn1c2ccccc2nc1C(C#N)C(=O)[C@@H]1CCCSC1 ZINC000810519194 631380578 /nfs/dbraw/zinc/38/05/78/631380578.db2.gz APXNTUUGVGMYIW-VXGBXAGGSA-N 0 1 299.399 2.893 20 30 CFEDMN C#CC[C@H](OC(=O)[C@]1(F)CCN(C(C)(C)C)C1)C(C)C ZINC000810605303 631400710 /nfs/dbraw/zinc/40/07/10/631400710.db2.gz HCQDNEJGALZQJF-BBRMVZONSA-N 0 1 283.387 2.790 20 30 CFEDMN C[C@H](OC(=O)[C@]1(F)CCN(C(C)(C)C)C1)C(C)(C)C#N ZINC000810640454 631414374 /nfs/dbraw/zinc/41/43/74/631414374.db2.gz XTVPWTYPSGPNCY-NHYWBVRUSA-N 0 1 284.375 2.680 20 30 CFEDMN CCC(N=Nc1cn[nH]c(=O)c1Cl)[C@@H]1C[C@@H]1C ZINC000841617118 631432662 /nfs/dbraw/zinc/43/26/62/631432662.db2.gz VMFKSXAGGHPRPV-NKWVEPMBSA-N 0 1 254.721 2.670 20 30 CFEDMN C[C@H]1CC(NC(=O)c2nc3ccccc3cc2Cl)=NO1 ZINC000810786944 631444811 /nfs/dbraw/zinc/44/48/11/631444811.db2.gz DKMYXODYHOZMFN-QMMMGPOBSA-N 0 1 289.722 2.740 20 30 CFEDMN CCCCCCOc1ccc(C=NNC2=NCCN2)cc1 ZINC000841660807 631446187 /nfs/dbraw/zinc/44/61/87/631446187.db2.gz IAEDWUHKDQAIAC-UHFFFAOYSA-N 0 1 288.395 2.528 20 30 CFEDMN C[C@]1(CNC[C@@H](C#N)CCC#N)CC1(Cl)Cl ZINC000842154346 631555257 /nfs/dbraw/zinc/55/52/57/631555257.db2.gz SMPFIIQPFPQURW-NXEZZACHSA-N 0 1 260.168 2.603 20 30 CFEDMN C#CCN(CC)Cc1cc(O)cc(C(F)(F)F)c1 ZINC000811457422 631565693 /nfs/dbraw/zinc/56/56/93/631565693.db2.gz BZOUQHVNZUHOBW-UHFFFAOYSA-N 0 1 257.255 2.866 20 30 CFEDMN C[C@H]1C(=NOC[C@@H]2CCOC2)CCN1Cc1ccccc1 ZINC000811648901 631592853 /nfs/dbraw/zinc/59/28/53/631592853.db2.gz UHKPBIPZIYNNNK-GOEBONIOSA-N 0 1 288.391 2.690 20 30 CFEDMN COCCCON=C1CCN(Cc2ccccc2)[C@H]1C ZINC000811650294 631593275 /nfs/dbraw/zinc/59/32/75/631593275.db2.gz UNLQYJCDANIXPC-AWEZNQCLSA-N 0 1 276.380 2.690 20 30 CFEDMN C=C(C)CNN=C(C)c1ccc(N2CCCC2)cc1O ZINC000811652026 631594053 /nfs/dbraw/zinc/59/40/53/631594053.db2.gz XBQKRZIHBKYUPH-UHFFFAOYSA-N 0 1 273.380 2.882 20 30 CFEDMN CC(=NNC[C@@H]1CCSC1)c1ccc(F)cc1N(C)C ZINC000811657745 631597128 /nfs/dbraw/zinc/59/71/28/631597128.db2.gz SBPLTKGHQMTHQM-LBPRGKRZSA-N 0 1 295.427 2.958 20 30 CFEDMN CCN(CC)c1ncc(C=NNC[C@@H]2CCSC2)s1 ZINC000811659016 631597313 /nfs/dbraw/zinc/59/73/13/631597313.db2.gz RMMXFWWJPZORMR-NSHDSACASA-N 0 1 298.481 2.666 20 30 CFEDMN C(=NNC[C@H]1CCSC1)c1cc(-c2ccccc2)[nH]n1 ZINC000811661822 631599838 /nfs/dbraw/zinc/59/98/38/631599838.db2.gz UKKUWAOPVLHAFH-GFCCVEGCSA-N 0 1 286.404 2.753 20 30 CFEDMN CO[C@H](CC(C)C)C(=O)C(C#N)c1cnc2ccccc2n1 ZINC000842347212 631600496 /nfs/dbraw/zinc/60/04/96/631600496.db2.gz WUWLCYJINNJOTG-BLLLJJGKSA-N 0 1 297.358 2.867 20 30 CFEDMN Cc1ccc(O)c(C(=O)/C=C/c2nc(C#N)cs2)c1 ZINC000811694794 631606925 /nfs/dbraw/zinc/60/69/25/631606925.db2.gz ZZGZSEGCBDQNEZ-SNAWJCMRSA-N 0 1 270.313 2.925 20 30 CFEDMN C=CCN1C(=O)N=NC1SCC[C@H]1CC1(Cl)Cl ZINC000842568374 631664924 /nfs/dbraw/zinc/66/49/24/631664924.db2.gz NZAFIUXHBPVVCN-ZETCQYMHSA-N 0 1 294.207 2.846 20 30 CFEDMN C#CC1CCN(CN2C[C@H](c3cccc(C)c3)CC2=O)CC1 ZINC000842633388 631686920 /nfs/dbraw/zinc/68/69/20/631686920.db2.gz GKYDAHNBWVODLD-GOSISDBHSA-N 0 1 296.414 2.614 20 30 CFEDMN C#CC1CCN(Cn2ccc(-c3ccc(C#N)cc3)n2)CC1 ZINC000842634373 631687927 /nfs/dbraw/zinc/68/79/27/631687927.db2.gz VXBHDDYYCVWDIB-UHFFFAOYSA-N 0 1 290.370 2.724 20 30 CFEDMN CC(C)=CCC[C@H](C)CC(=O)[C@@H](C#N)C(=O)NC(C)C ZINC000842689783 631707965 /nfs/dbraw/zinc/70/79/65/631707965.db2.gz FBQRDBSRWCPOSB-UONOGXRCSA-N 0 1 278.396 2.992 20 30 CFEDMN CC(C)=CCC[C@@H](C)CC(=O)[C@H](C#N)C(=O)NC(C)C ZINC000842689782 631708487 /nfs/dbraw/zinc/70/84/87/631708487.db2.gz FBQRDBSRWCPOSB-KGLIPLIRSA-N 0 1 278.396 2.992 20 30 CFEDMN COC1(C(=O)C(C#N)c2ncc(C(C)(C)C)s2)CC1 ZINC000842783810 631740453 /nfs/dbraw/zinc/74/04/53/631740453.db2.gz CXJCAQYJWNLZTG-SECBINFHSA-N 0 1 278.377 2.796 20 30 CFEDMN C#CCC(C)(C)C(=O)Nc1cc(C(=O)CC)ccc1O ZINC000812707263 631762529 /nfs/dbraw/zinc/76/25/29/631762529.db2.gz COJUOMCKLHHHTD-UHFFFAOYSA-N 0 1 273.332 2.973 20 30 CFEDMN N#CC(C(=O)CCCC1CC1)C(=O)Nc1ccccc1 ZINC000813060074 631822522 /nfs/dbraw/zinc/82/25/22/631822522.db2.gz OVYZGNLSGCEGNN-CQSZACIVSA-N 0 1 270.332 2.914 20 30 CFEDMN Cc1cccc2nc([C@@H](C#N)C(=O)CCCC#N)[nH]c21 ZINC000813070159 631825421 /nfs/dbraw/zinc/82/54/21/631825421.db2.gz QCJATEUAKJFSJA-NSHDSACASA-N 0 1 266.304 2.741 20 30 CFEDMN COC[C@H](C)[C@@H](C)C(=O)[C@H](C#N)c1nc2cccc(C)c2[nH]1 ZINC000813069731 631825695 /nfs/dbraw/zinc/82/56/95/631825695.db2.gz KYPVLOHNRAYZHZ-XQQFMLRXSA-N 0 1 299.374 2.966 20 30 CFEDMN C[C@H](C[C@H](O)c1ccc(F)cc1)NC[C@@H](C#N)CCC#N ZINC000843100251 631834952 /nfs/dbraw/zinc/83/49/52/631834952.db2.gz HECSXCXMHQAFOZ-IOASZLSFSA-N 0 1 289.354 2.671 20 30 CFEDMN N#CCC[C@H](C#N)CNCC1([C@@H](O)c2ccccc2)CC1 ZINC000843101787 631835945 /nfs/dbraw/zinc/83/59/45/631835945.db2.gz OFHAHRNXSPMVQM-ZBFHGGJFSA-N 0 1 283.375 2.533 20 30 CFEDMN C#CC[C@@H]1CCCN(Cc2c(C)nc3sc(C)nn23)C1 ZINC000843423327 631951797 /nfs/dbraw/zinc/95/17/97/631951797.db2.gz CHIMNGOUYLJQCA-CYBMUJFWSA-N 0 1 288.420 2.643 20 30 CFEDMN C#CC[C@H]1CCCN(Cc2cn3cccc(F)c3n2)C1 ZINC000843424142 631952946 /nfs/dbraw/zinc/95/29/46/631952946.db2.gz PBBIAYHVMZZLBP-ZDUSSCGKSA-N 0 1 271.339 2.709 20 30 CFEDMN C#CC1CC[NH+](Cc2cc(Br)ccc2[O-])CC1 ZINC000843426963 631954840 /nfs/dbraw/zinc/95/48/40/631954840.db2.gz OWSCQCTUHHPWLN-UHFFFAOYSA-N 0 1 294.192 3.000 20 30 CFEDMN C#CC1CCN(Cc2ccc(OC)c(OC)c2OC)CC1 ZINC000843428543 631955297 /nfs/dbraw/zinc/95/52/97/631955297.db2.gz JTTKXPYIWVJSQH-UHFFFAOYSA-N 0 1 289.375 2.558 20 30 CFEDMN O=C(CCCCc1cn[nH]n1)OCC#CC1CCCCC1 ZINC000814094678 632011046 /nfs/dbraw/zinc/01/10/46/632011046.db2.gz RVVDSXDBNFWDLB-UHFFFAOYSA-N 0 1 289.379 2.644 20 30 CFEDMN Cc1nnsc1CN=Nc1ncnc(Cl)c1C(C)C ZINC000814230520 632041866 /nfs/dbraw/zinc/04/18/66/632041866.db2.gz SCRVKPVIIMEGRT-UHFFFAOYSA-N 0 1 296.787 2.859 20 30 CFEDMN C=CCCONC(=O)c1cccc(C(F)(F)F)c1O ZINC000856027137 635702536 /nfs/dbraw/zinc/70/25/36/635702536.db2.gz AVPAYVMDDOXMLD-UHFFFAOYSA-N 0 1 275.226 2.649 20 30 CFEDMN C#CC[C@H]1CCCN(C(=O)c2cc(C)cc3c[nH]nc32)C1 ZINC000844001969 632092856 /nfs/dbraw/zinc/09/28/56/632092856.db2.gz QTBJZYZJRXOTBC-ZDUSSCGKSA-N 0 1 281.359 2.747 20 30 CFEDMN N#Cc1csc(C=NNc2ccc(C(F)(F)F)cn2)n1 ZINC000814710456 632111615 /nfs/dbraw/zinc/11/16/15/632111615.db2.gz QYXCPJAUEQFAKB-UHFFFAOYSA-N 0 1 297.265 2.875 20 30 CFEDMN CCc1nocc1C=NNc1c(F)c(F)nc(F)c1F ZINC000814744126 632116884 /nfs/dbraw/zinc/11/68/84/632116884.db2.gz PVPATTNXFGDHFG-UHFFFAOYSA-N 0 1 288.204 2.634 20 30 CFEDMN CC(=NNc1cc(C)nc(C)n1)c1ccccc1C#N ZINC000814807216 632128682 /nfs/dbraw/zinc/12/86/82/632128682.db2.gz LAXDYOWAECMBFA-UHFFFAOYSA-N 0 1 265.320 2.801 20 30 CFEDMN Cc1cc(Cl)cc(CN=Nc2ccnc(N(C)C)n2)c1 ZINC000814855569 632139665 /nfs/dbraw/zinc/13/96/65/632139665.db2.gz PQEYAIQXKQZTHV-UHFFFAOYSA-N 0 1 289.770 2.950 20 30 CFEDMN C=CCN(Cc1ccccc1)C[C@H]1CN(C2CC2)C(=O)O1 ZINC000844267808 632148792 /nfs/dbraw/zinc/14/87/92/632148792.db2.gz CHCSPKNKIIGVIG-INIZCTEOSA-N 0 1 286.375 2.658 20 30 CFEDMN C=CCN(Cc1ccccc1)C[C@@H]1CN(C2CC2)C(=O)O1 ZINC000844267809 632148997 /nfs/dbraw/zinc/14/89/97/632148997.db2.gz CHCSPKNKIIGVIG-MRXNPFEDSA-N 0 1 286.375 2.658 20 30 CFEDMN CC(=NNc1cccc(F)n1)c1ccccc1C#N ZINC000814927769 632168196 /nfs/dbraw/zinc/16/81/96/632168196.db2.gz FMYUABUNWGBNCE-UHFFFAOYSA-N 0 1 254.268 2.928 20 30 CFEDMN Cn1ncc(CN=Nc2cccc(Cl)n2)c1Cl ZINC000814939286 632175358 /nfs/dbraw/zinc/17/53/58/632175358.db2.gz LLJPBUQMKFBFSV-UHFFFAOYSA-N 0 1 270.123 2.568 20 30 CFEDMN CCn1nccc1CN=Nc1ccc(F)c(F)c1F ZINC000814946072 632178169 /nfs/dbraw/zinc/17/81/69/632178169.db2.gz DWRWZOBKYIELTQ-UHFFFAOYSA-N 0 1 268.242 2.766 20 30 CFEDMN CCc1noc(C)c1CN(C)C[C@@H](O)c1cccc(C#N)c1 ZINC000844369654 632181786 /nfs/dbraw/zinc/18/17/86/632181786.db2.gz MYTMWYXZBNFDQS-QGZVFWFLSA-N 0 1 299.374 2.583 20 30 CFEDMN CC(=NNc1cnnn1C)c1ccc(OC(F)(F)F)cc1 ZINC000814982715 632185499 /nfs/dbraw/zinc/18/54/99/632185499.db2.gz LVQJGZSEYPGFHK-UHFFFAOYSA-N 0 1 299.256 2.550 20 30 CFEDMN C#Cc1cccc(N(C)Cc2cc(O)ccc2[N+](=O)[O-])c1 ZINC000815037184 632189678 /nfs/dbraw/zinc/18/96/78/632189678.db2.gz HJGYPBYBXDDEHG-UHFFFAOYSA-N 0 1 282.299 2.918 20 30 CFEDMN COC(=O)c1occc1/C=C/C(=O)c1ccccc1O ZINC000156601832 650056045 /nfs/dbraw/zinc/05/60/45/650056045.db2.gz YCUMCERGEFVASZ-VOTSOKGWSA-N 0 1 272.256 2.668 20 30 CFEDMN CC#CC[N@H+](C)Cc1cc(=O)oc2cc([O-])c(Cl)cc12 ZINC000815280449 632243562 /nfs/dbraw/zinc/24/35/62/632243562.db2.gz KJYZTDQAWKYFHH-UHFFFAOYSA-N 0 1 291.734 2.607 20 30 CFEDMN CC#CC[N@@H+](C)Cc1cc(=O)oc2cc([O-])c(Cl)cc12 ZINC000815280449 632243566 /nfs/dbraw/zinc/24/35/66/632243566.db2.gz KJYZTDQAWKYFHH-UHFFFAOYSA-N 0 1 291.734 2.607 20 30 CFEDMN Cc1ccc(C=NNC2=N[C@@H]3CCCC[C@@H]3N2)c(Cl)c1 ZINC000844590437 632256458 /nfs/dbraw/zinc/25/64/58/632256458.db2.gz WCBHZYQQHVREIK-OKILXGFUSA-N 0 1 290.798 2.842 20 30 CFEDMN C=C(C)CON=Cc1ccc(N(C)CCC#N)cc1 ZINC000844614974 632263065 /nfs/dbraw/zinc/26/30/65/632263065.db2.gz MDZZSKLYRDMBPC-UHFFFAOYSA-N 0 1 257.337 2.963 20 30 CFEDMN C=C(C)CON=C1CCN(Cc2ccccn2)C[C@H]1C ZINC000844616601 632263124 /nfs/dbraw/zinc/26/31/24/632263124.db2.gz DEVXVMARWGWMGE-CQSZACIVSA-N 0 1 273.380 2.872 20 30 CFEDMN C=C[C@H](C)ON=C1CCN(Cc2ccccn2)C[C@@H]1C ZINC000844623115 632266770 /nfs/dbraw/zinc/26/67/70/632266770.db2.gz FGCLMCRKVASDMY-KBPBESRZSA-N 0 1 273.380 2.871 20 30 CFEDMN Cc1c(N=NC2C[N@@H+](C(C)C)C[C@H]2C)cccc1C(=O)[O-] ZINC000844625359 632268598 /nfs/dbraw/zinc/26/85/98/632268598.db2.gz ZZIYGQJWKWZXOK-LLVKDONJSA-N 0 1 289.379 2.821 20 30 CFEDMN CC[C@@H](C#N)OC(=O)[C@H]1CCCCN1C1CCCC1 ZINC000815448064 632276013 /nfs/dbraw/zinc/27/60/13/632276013.db2.gz FGEGGHOUJYTUOI-UONOGXRCSA-N 0 1 264.369 2.629 20 30 CFEDMN N#Cc1ccc(CN[C@H](c2cccs2)c2nnc[nH]2)cc1 ZINC000815560370 632289062 /nfs/dbraw/zinc/28/90/62/632289062.db2.gz FZEZUAMQLXIIST-CQSZACIVSA-N 0 1 295.371 2.617 20 30 CFEDMN C#CCCCCCC(=O)NC[C@H]1CCN1Cc1ccccc1 ZINC000856358916 635796912 /nfs/dbraw/zinc/79/69/12/635796912.db2.gz VFHNQRARHFMEMK-GOSISDBHSA-N 0 1 298.430 2.961 20 30 CFEDMN C[C@]1(C(=O)Nc2cc(C#N)ccc2O)C[C@H]2C[C@H]2C1 ZINC000815878236 632328135 /nfs/dbraw/zinc/32/81/35/632328135.db2.gz YHXCZQUCWSTGNE-HBYGRHMLSA-N 0 1 256.305 2.639 20 30 CFEDMN CCCCCNC(=O)C(C#N)C(=O)[C@@H]1C[C@@H]1C1CCCC1 ZINC000845444568 632436365 /nfs/dbraw/zinc/43/63/65/632436365.db2.gz YTNIMKVLOAEYIW-RBSFLKMASA-N 0 1 290.407 2.828 20 30 CFEDMN CCCCCCNC(=O)C(C#N)C(=O)[C@@H]1C[C@H]1C1CCC1 ZINC000845444491 632436516 /nfs/dbraw/zinc/43/65/16/632436516.db2.gz WPFAUQSVGYXGFT-ZNMIVQPWSA-N 0 1 290.407 2.828 20 30 CFEDMN N#CC(C(=O)Nc1ccccn1)C(=O)[C@H]1C[C@@H]1C1CCCC1 ZINC000845445059 632437276 /nfs/dbraw/zinc/43/72/76/632437276.db2.gz FYRJSQXRIWWTHK-RDBSUJKOSA-N 0 1 297.358 2.555 20 30 CFEDMN CC(C)(C)[N@H+]1CC[C@@H]1COC(=O)c1ccc(C#N)s1 ZINC000845739522 632544796 /nfs/dbraw/zinc/54/47/96/632544796.db2.gz JFZBJZRGLXLVHY-SNVBAGLBSA-N 0 1 278.377 2.649 20 30 CFEDMN CC(C)(C)N1CC[C@@H]1COC(=O)c1ccc(C#N)s1 ZINC000845739522 632544799 /nfs/dbraw/zinc/54/47/99/632544799.db2.gz JFZBJZRGLXLVHY-SNVBAGLBSA-N 0 1 278.377 2.649 20 30 CFEDMN CC(C)OCCC(=O)C(C#N)=C(O)C1(c2ccccc2)CC1 ZINC000845836693 632577799 /nfs/dbraw/zinc/57/77/99/632577799.db2.gz BRECKCOQMLFAFK-OAHLLOKOSA-N 0 1 299.370 2.811 20 30 CFEDMN CC[C@@H](C)OCC(O)=C(C#N)C(=O)C1(c2ccccc2)CC1 ZINC000845841694 632578185 /nfs/dbraw/zinc/57/81/85/632578185.db2.gz PGVSRHLIGSPLCZ-HIFRSBDPSA-N 0 1 299.370 2.811 20 30 CFEDMN COCCCCC(=O)C(C#N)=C(O)C1(c2ccccc2)CC1 ZINC000845840029 632578417 /nfs/dbraw/zinc/57/84/17/632578417.db2.gz YKXULPIPOMFYPG-OAHLLOKOSA-N 0 1 299.370 2.813 20 30 CFEDMN CCO[C@@H](CC)C(O)=C(C#N)C(=O)C1(c2ccccc2)CC1 ZINC000845840035 632578623 /nfs/dbraw/zinc/57/86/23/632578623.db2.gz YNAYKZHJOBVVQO-GJZGRUSLSA-N 0 1 299.370 2.811 20 30 CFEDMN N#CC(C(=O)C[C@@H]1CCCO1)=C(O)C1(c2ccccc2)CC1 ZINC000845840090 632578657 /nfs/dbraw/zinc/57/86/57/632578657.db2.gz ZMANEZCCZBWLAG-LSDHHAIUSA-N 0 1 297.354 2.565 20 30 CFEDMN CC[C@@H](C)OCC(O)=C(C#N)C(=O)C1(c2ccccc2)CC1 ZINC000845841696 632578689 /nfs/dbraw/zinc/57/86/89/632578689.db2.gz PGVSRHLIGSPLCZ-UKRRQHHQSA-N 0 1 299.370 2.811 20 30 CFEDMN C(=NNCCN1CCCCC1)c1cccc(C2CC2)c1 ZINC000817323764 632601811 /nfs/dbraw/zinc/60/18/11/632601811.db2.gz UQHKCFXLNRVLAQ-UHFFFAOYSA-N 0 1 271.408 2.973 20 30 CFEDMN CCc1ccc(CN(C)C[C@@H](O)c2cccc(C#N)c2)o1 ZINC000846007877 632612680 /nfs/dbraw/zinc/61/26/80/632612680.db2.gz RATLYBREYCLFOB-QGZVFWFLSA-N 0 1 284.359 2.879 20 30 CFEDMN CCc1ccc(NC(=O)C(C#N)C(=O)[C@H]2CC23CC3)cc1 ZINC000817714276 632690615 /nfs/dbraw/zinc/69/06/15/632690615.db2.gz OXIZCWDJPVXORW-ZIAGYGMSSA-N 0 1 282.343 2.696 20 30 CFEDMN Cc1cccc2nc([C@H](C#N)C(=O)[C@H]3CC34CC4)[nH]c21 ZINC000817717082 632691232 /nfs/dbraw/zinc/69/12/32/632691232.db2.gz MYBUEMNUPLECFF-GHMZBOCLSA-N 0 1 265.316 2.848 20 30 CFEDMN N#C[C@@H](C(=O)[C@H]1CC12CC2)c1cnc2ccccc2n1 ZINC000817731575 632696658 /nfs/dbraw/zinc/69/66/58/632696658.db2.gz PFYZVHMQJHSNRV-GHMZBOCLSA-N 0 1 263.300 2.606 20 30 CFEDMN C=C[C@@H](C)ONC(=O)[C@@H]1COc2ccc(Cl)cc2C1 ZINC000846543232 632731784 /nfs/dbraw/zinc/73/17/84/632731784.db2.gz MRMRKLGHVYZKMG-KOLCDFICSA-N 0 1 281.739 2.513 20 30 CFEDMN C=CCN(Cc1ccc(OCC(F)(F)F)nn1)C(C)C ZINC000846775902 632793971 /nfs/dbraw/zinc/79/39/71/632793971.db2.gz FNFFEWKATVJBGU-UHFFFAOYSA-N 0 1 289.301 2.814 20 30 CFEDMN COc1ccc(CNCc2cncn2C(C)C)cc1C#N ZINC000818198719 632812272 /nfs/dbraw/zinc/81/22/72/632812272.db2.gz ZGZGILWIEVAYGC-UHFFFAOYSA-N 0 1 284.363 2.634 20 30 CFEDMN C=C[C@@H]1OCC[C@H]1C[NH2+]Cc1cc(Cl)ccc1[O-] ZINC000818224158 632815874 /nfs/dbraw/zinc/81/58/74/632815874.db2.gz FFMVZEQKEAZGDG-HZMBPMFUSA-N 0 1 267.756 2.726 20 30 CFEDMN C#C[C@H]1CCCN(Cc2cc(=O)[nH]c(-c3ccccc3)n2)C1 ZINC000847018560 632884172 /nfs/dbraw/zinc/88/41/72/632884172.db2.gz LDFDIWNZFYJFGY-AWEZNQCLSA-N 0 1 293.370 2.694 20 30 CFEDMN C#C[C@H]1CCC[N@H+](CCC(=O)c2ccc(C)cc2)C1 ZINC000847020584 632885391 /nfs/dbraw/zinc/88/53/91/632885391.db2.gz BVKLFAHNXXRLKS-HNNXBMFYSA-N 0 1 255.361 2.913 20 30 CFEDMN C#C[C@@H]1CCCN([C@@H](C)C(=O)NC[C@H](C)c2ccccc2)C1 ZINC000847025700 632890415 /nfs/dbraw/zinc/89/04/15/632890415.db2.gz CVBFSPFCBHHYME-YESZJQIVSA-N 0 1 298.430 2.640 20 30 CFEDMN C#C[C@H]1CCCN(CC(=O)N(C)Cc2ccc(CC)cc2)C1 ZINC000847028672 632894147 /nfs/dbraw/zinc/89/41/47/632894147.db2.gz JYRRBQVSDFOUPW-KRWDZBQOSA-N 0 1 298.430 2.553 20 30 CFEDMN C#C[C@@H]1CCCN([C@@H](C)C(=O)Nc2cccc(C)c2C)C1 ZINC000847028621 632894825 /nfs/dbraw/zinc/89/48/25/632894825.db2.gz JNRHAGVLUOIDIW-JKSUJKDBSA-N 0 1 284.403 2.976 20 30 CFEDMN C#C[C@@H]1CCCN(CC(=O)N(Cc2ccccc2)C(C)C)C1 ZINC000847031839 632895965 /nfs/dbraw/zinc/89/59/65/632895965.db2.gz VBSSMIBGPOLBSK-QGZVFWFLSA-N 0 1 298.430 2.769 20 30 CFEDMN C#C[C@@H]1CCCN(CC(=O)NC2CCCCCCC2)C1 ZINC000847034889 632898332 /nfs/dbraw/zinc/89/83/32/632898332.db2.gz XBQSUKMFJBCKLT-OAHLLOKOSA-N 0 1 276.424 2.561 20 30 CFEDMN C#CCCCCNC(=O)c1cccc(C(F)(F)F)c1O ZINC000847566793 633002946 /nfs/dbraw/zinc/00/29/46/633002946.db2.gz BQNBKSVOECZBSV-UHFFFAOYSA-N 0 1 285.265 2.944 20 30 CFEDMN CC(C)(C#N)CCOC(=O)c1cc2[nH]cnc2cc1F ZINC000847902002 633138560 /nfs/dbraw/zinc/13/85/60/633138560.db2.gz CIXISXHGERRWLZ-UHFFFAOYSA-N 0 1 275.283 2.799 20 30 CFEDMN C=C(C)C(C)(C)C(=O)NOCc1ccc(F)cc1 ZINC000819495039 633182779 /nfs/dbraw/zinc/18/27/79/633182779.db2.gz XOYRJGVMBRDZSW-UHFFFAOYSA-N 0 1 251.301 2.976 20 30 CFEDMN O=C(/C=C/c1cc2n(n1)CCCC2)c1ccccc1O ZINC000848640869 633306609 /nfs/dbraw/zinc/30/66/09/633306609.db2.gz VXGLNTHQGFDASE-CMDGGOBGSA-N 0 1 268.316 2.821 20 30 CFEDMN C=CCN(Cc1ccc(/C=C\C(=O)OC)o1)C1CC1 ZINC000848902593 633389999 /nfs/dbraw/zinc/38/99/99/633389999.db2.gz QGLGXDNTCHHPQG-HJWRWDBZSA-N 0 1 261.321 2.616 20 30 CFEDMN C#C[C@@H]1CCCN(Cc2cnc(N(CC)CC)s2)C1 ZINC000848923865 633405826 /nfs/dbraw/zinc/40/58/26/633405826.db2.gz RJRDYEIHDZAAPG-CYBMUJFWSA-N 0 1 277.437 2.835 20 30 CFEDMN CC(C)(C)[N@H+]1CC[C@H]1C/N=C/c1cc([N+](=O)[O-])ccc1[O-] ZINC000849171450 633578850 /nfs/dbraw/zinc/57/88/50/633578850.db2.gz WYPDQONTDVHJOL-WFSQQTBHSA-N 0 1 291.351 2.592 20 30 CFEDMN O=C(/C=C\c1ccnn1CC1CC1)c1ccccc1O ZINC000849246245 633589989 /nfs/dbraw/zinc/58/99/89/633589989.db2.gz GFVQDZLQLDOHLT-FPLPWBNLSA-N 0 1 268.316 2.895 20 30 CFEDMN C#CC[C@H]1CCC[N@H+](CCc2ccccc2C(=O)[O-])C1 ZINC000849344165 633622856 /nfs/dbraw/zinc/62/28/56/633622856.db2.gz CPQKSSZPQUTKFA-AWEZNQCLSA-N 0 1 271.360 2.663 20 30 CFEDMN C#CC[C@@H]1CCC[N@H+]([C@@H](C(=O)[O-])c2ccc(F)cc2)C1 ZINC000849344415 633623048 /nfs/dbraw/zinc/62/30/48/633623048.db2.gz LMQGBEPEDGTYPU-IUODEOHRSA-N 0 1 275.323 2.687 20 30 CFEDMN C#CC[C@H]1CCC[N@H+](Cc2cc(C(=O)[O-])oc2CC)C1 ZINC000849344156 633623226 /nfs/dbraw/zinc/62/32/26/633623226.db2.gz CMHSMRBWMUBXEM-LBPRGKRZSA-N 0 1 275.348 2.776 20 30 CFEDMN C=CC[C@H](NCc1cnc2n1CCC2)c1ccncc1 ZINC000850137228 633852297 /nfs/dbraw/zinc/85/22/97/633852297.db2.gz LEJRAYPLDLQRGA-HNNXBMFYSA-N 0 1 268.364 2.631 20 30 CFEDMN C#CC[C@@H](NCc1cnc2n1CCC2)c1ccccc1 ZINC000850226879 633902298 /nfs/dbraw/zinc/90/22/98/633902298.db2.gz UGEYDDDZWVADGN-MRXNPFEDSA-N 0 1 265.360 2.684 20 30 CFEDMN C#Cc1cccc(CNCc2ccnn2CC2CC2)c1 ZINC000850321281 633941423 /nfs/dbraw/zinc/94/14/23/633941423.db2.gz KGZQJUYTXDRKPE-UHFFFAOYSA-N 0 1 265.360 2.564 20 30 CFEDMN COc1cc(CN[C@H]2C[C@@H](O)c3ccccc32)ccc1C#N ZINC000850373693 633963760 /nfs/dbraw/zinc/96/37/60/633963760.db2.gz ISPCKNMWRPDKPT-DLBZAZTESA-N 0 1 294.354 2.835 20 30 CFEDMN C#CCN(CC(=O)NCC1CCCCC1)C1CCCCC1 ZINC000109356410 634001390 /nfs/dbraw/zinc/00/13/90/634001390.db2.gz RJIHZAUUABNWRE-UHFFFAOYSA-N 0 1 290.451 2.951 20 30 CFEDMN C#C[C@H](N[C@@H](C)c1ccc2c(c1)CCCO2)[C@@H]1CCCO1 ZINC000850460685 634002353 /nfs/dbraw/zinc/00/23/53/634002353.db2.gz BIOCKXLDOARKEO-OWQGQXMQSA-N 0 1 285.387 2.843 20 30 CFEDMN C=CCCCCC[C@@H](C)NCc1nc(C(N)=O)cs1 ZINC000850540223 634043533 /nfs/dbraw/zinc/04/35/33/634043533.db2.gz JWVWBCGKXFKGFY-LLVKDONJSA-N 0 1 281.425 2.857 20 30 CFEDMN C=CCNC(=O)C(C#N)C(=O)[C@H]1CC[C@H](C2CCC2)CC1 ZINC000850759528 634081609 /nfs/dbraw/zinc/08/16/09/634081609.db2.gz KDQAOMPSJDUFKX-RBSFLKMASA-N 0 1 288.391 2.604 20 30 CFEDMN C=CCNC(=O)C(C#N)C(=O)C1CC(C)(C)CC(C)(C)C1 ZINC000850760277 634081878 /nfs/dbraw/zinc/08/18/78/634081878.db2.gz RFVZSEBLJYVPBA-CYBMUJFWSA-N 0 1 290.407 2.850 20 30 CFEDMN C#CCN1CCC[C@@H]1COC(=O)[C@H]1CCCC2(CC2)C1 ZINC000850825652 634104073 /nfs/dbraw/zinc/10/40/73/634104073.db2.gz DCVMEYFLYCHDLT-LSDHHAIUSA-N 0 1 275.392 2.598 20 30 CFEDMN CO[C@@H]1CC[C@@H](C(=O)[C@H](C#N)c2nc3cccc(C)c3[nH]2)C1 ZINC000850849838 634109795 /nfs/dbraw/zinc/10/97/95/634109795.db2.gz KUXQOZHGJSWJJJ-UPJWGTAASA-N 0 1 297.358 2.863 20 30 CFEDMN N#C[C@H](C(=O)C1[C@@H]2CCCCCC[C@@H]12)c1ccncn1 ZINC000850947110 634148579 /nfs/dbraw/zinc/14/85/79/634148579.db2.gz CTYRZOLLGWWJFI-UPJWGTAASA-N 0 1 269.348 2.869 20 30 CFEDMN N#C[C@H](C(=O)[C@H]1[C@@H]2CCCCCC[C@@H]21)c1ccncn1 ZINC000850947109 634148622 /nfs/dbraw/zinc/14/86/22/634148622.db2.gz CTYRZOLLGWWJFI-SFDCQRBFSA-N 0 1 269.348 2.869 20 30 CFEDMN Oc1cccc(/C=N\C[C@@H]2CCN2Cc2ccccc2)c1O ZINC000852998444 634871754 /nfs/dbraw/zinc/87/17/54/634871754.db2.gz LOQNWRWFIMLUFF-YLRSXTQRSA-N 0 1 296.370 2.791 20 30 CFEDMN CCCn1nccc1/C=C\C(=O)c1ccc(OC)cc1O ZINC000853006808 634872317 /nfs/dbraw/zinc/87/23/17/634872317.db2.gz KQQUNPGAVPKEDM-DAXSKMNVSA-N 0 1 286.331 2.903 20 30 CFEDMN C#Cc1cccnc1NCCN1CCc2ccccc2C1 ZINC000853143048 634918722 /nfs/dbraw/zinc/91/87/22/634918722.db2.gz LLZRRLAXITZHOF-UHFFFAOYSA-N 0 1 277.371 2.533 20 30 CFEDMN O=c1c2ccccc2[nH]c(=S)n1N=C[C@@H]1CC[C@H]2C[C@H]2C1 ZINC000853284201 634957977 /nfs/dbraw/zinc/95/79/77/634957977.db2.gz TXZTUMIGELQCRG-GRYCIOLGSA-N 0 1 299.399 2.955 20 30 CFEDMN Nc1ccc2c(c1)C(=[NH+][N-]c1ccncc1F)CCCC2 ZINC000853403402 634995707 /nfs/dbraw/zinc/99/57/07/634995707.db2.gz WQHUJMOTEYQJHO-UHFFFAOYSA-N 0 1 284.338 2.767 20 30 CFEDMN Cc1nnc(N=NC(C)c2csc(Cl)c2)n1C ZINC000853432305 634997568 /nfs/dbraw/zinc/99/75/68/634997568.db2.gz RZGGEEBQSZKNPT-UHFFFAOYSA-N 0 1 269.761 2.675 20 30 CFEDMN Cc1nnc(N=NC(C)c2c(F)cccc2Cl)n1C ZINC000853432297 634997736 /nfs/dbraw/zinc/99/77/36/634997736.db2.gz RUBMKXKBXJPOJG-UHFFFAOYSA-N 0 1 281.722 2.752 20 30 CFEDMN Cc1nnc(NN=Cc2ccccc2C(F)(F)F)n1C ZINC000853433207 634998590 /nfs/dbraw/zinc/99/85/90/634998590.db2.gz ANZOAFPSIDIGFA-UHFFFAOYSA-N 0 1 283.257 2.588 20 30 CFEDMN C=CCCONC(=O)[C@]1(C)CCCc2ccccc21 ZINC000856031608 635706359 /nfs/dbraw/zinc/70/63/59/635706359.db2.gz WXQWHXBRWKBVPH-MRXNPFEDSA-N 0 1 259.349 2.905 20 30 CFEDMN C=CCCONC(=O)[C@H](C)[C@H]1OCCc2sccc21 ZINC000856035908 635710421 /nfs/dbraw/zinc/71/04/21/635710421.db2.gz NEFHVCGVRSNUSC-ZWNOBZJWSA-N 0 1 281.377 2.622 20 30 CFEDMN C#CCN1CCC[C@H]1COC(=O)/C=C(/C)c1cccs1 ZINC000857011638 635904754 /nfs/dbraw/zinc/90/47/54/635904754.db2.gz WUBSELIZNHNBAF-FZDNWWAKSA-N 0 1 289.400 2.792 20 30 CFEDMN N#Cc1ccc2c(c1)CC[C@H]2N[C@@H]1CCCc2c[nH]nc21 ZINC000857866739 636040286 /nfs/dbraw/zinc/04/02/86/636040286.db2.gz XSVVEHBHZXKJDL-HZPDHXFCSA-N 0 1 278.359 2.936 20 30 CFEDMN CCCCCCCNC(=O)N[C@@H](C)Cc1cc(C)[nH]n1 ZINC000858110444 636128341 /nfs/dbraw/zinc/12/83/41/636128341.db2.gz CEYJZJLWJFBWNK-LBPRGKRZSA-N 0 1 280.416 2.919 20 30 CFEDMN C[C@H](NC[C@H](O)CC1(C#N)CC1)c1c(F)cccc1F ZINC000859229588 636515279 /nfs/dbraw/zinc/51/52/79/636515279.db2.gz ZDZUQTMMWDBHHC-WDEREUQCSA-N 0 1 280.318 2.670 20 30 CFEDMN Cc1nn(C)cc1[C@@H](C)NCc1ccc(C)c(C#N)c1 ZINC000859231136 636516591 /nfs/dbraw/zinc/51/65/91/636516591.db2.gz UMWHGZCXSJPAAD-GFCCVEGCSA-N 0 1 268.364 2.759 20 30 CFEDMN C#CCN1CCC(Cc2nc(C3CCCC3)no2)CC1 ZINC000859402569 636558380 /nfs/dbraw/zinc/55/83/80/636558380.db2.gz AARFNZZXYSBZNL-UHFFFAOYSA-N 0 1 273.380 2.615 20 30 CFEDMN C#CCNC(=O)[C@@H](C)N1CCC(c2ccc(CC)cc2)CC1 ZINC000860024861 636762733 /nfs/dbraw/zinc/76/27/33/636762733.db2.gz FNWHAMJEOVFXGP-OAHLLOKOSA-N 0 1 298.430 2.566 20 30 CFEDMN Cn1c2ccccc2nc1C(C#N)C(=O)C12CC(C1)C2 ZINC000860450183 636886706 /nfs/dbraw/zinc/88/67/06/636886706.db2.gz NWNXCJMPTGFBGQ-NOEPWBJOSA-N 0 1 265.316 2.550 20 30 CFEDMN C[C@H](CC(=O)Nc1cc(C#N)ccc1O)C(F)(F)F ZINC000860444557 636886871 /nfs/dbraw/zinc/88/68/71/636886871.db2.gz CBXMJAMEILZIRM-SSDOTTSWSA-N 0 1 272.226 2.791 20 30 CFEDMN C[C@@H](CC(=O)Nc1cc(C#N)ccc1O)C(F)(F)F ZINC000860444559 636886886 /nfs/dbraw/zinc/88/68/86/636886886.db2.gz CBXMJAMEILZIRM-ZETCQYMHSA-N 0 1 272.226 2.791 20 30 CFEDMN N#CC(C(=O)Nc1ccc(Cl)cc1)C(=O)C12CC(C1)C2 ZINC000860467321 636892411 /nfs/dbraw/zinc/89/24/11/636892411.db2.gz JFPZKMRLBBJXEQ-RHJSQNMRSA-N 0 1 288.734 2.787 20 30 CFEDMN CCCCCCCNC(=O)[C@@H]1CCc2[nH]cnc2C1 ZINC000862355325 637329579 /nfs/dbraw/zinc/32/95/79/637329579.db2.gz ICTVUMUMTPSUNE-GFCCVEGCSA-N 0 1 263.385 2.601 20 30 CFEDMN CCCCCCCNC(=O)CN(C)[C@@H]1CCSC1 ZINC000862358019 637331910 /nfs/dbraw/zinc/33/19/10/637331910.db2.gz QGSCEQMMIOINBE-CYBMUJFWSA-N 0 1 272.458 2.510 20 30 CFEDMN CCCCCCCNC(=O)[C@@H]1CCCc2[nH]ncc21 ZINC000862358265 637332964 /nfs/dbraw/zinc/33/29/64/637332964.db2.gz AEKGSTJUGNFKRJ-GFCCVEGCSA-N 0 1 263.385 2.916 20 30 CFEDMN C#C[C@H](NCc1ccc(F)c(F)c1N(C)C)C(C)C ZINC000862363770 637336156 /nfs/dbraw/zinc/33/61/56/637336156.db2.gz UEXXEGBGKOIMSD-ZDUSSCGKSA-N 0 1 266.335 2.778 20 30 CFEDMN C#C[C@@H]1CCC[N@@H+](Cc2c([O-])cccc2Br)C1 ZINC000862402582 637361611 /nfs/dbraw/zinc/36/16/11/637361611.db2.gz PPVCWNGFDDLCHO-LLVKDONJSA-N 0 1 294.192 3.000 20 30 CFEDMN C#C[C@@H]1CCC[N@H+](Cc2c([O-])cccc2Br)C1 ZINC000862402582 637361614 /nfs/dbraw/zinc/36/16/14/637361614.db2.gz PPVCWNGFDDLCHO-LLVKDONJSA-N 0 1 294.192 3.000 20 30 CFEDMN C#CC[C@@H]1CCN(Cc2nccn2-c2ccccc2)C1 ZINC000862444475 637385327 /nfs/dbraw/zinc/38/53/27/637385327.db2.gz ARXQFGKDWVEDQH-OAHLLOKOSA-N 0 1 265.360 2.718 20 30 CFEDMN C#CC[C@H]1CCN(C(=O)[C@@H](c2ccccc2)N(C)CC)C1 ZINC000862566708 637433309 /nfs/dbraw/zinc/43/33/09/637433309.db2.gz SXWWNRDVXOBXID-DOTOQJQBSA-N 0 1 284.403 2.551 20 30 CFEDMN Cc1cccc2c1C(=NNc1ccncc1C)CC2 ZINC000863157422 637571716 /nfs/dbraw/zinc/57/17/16/637571716.db2.gz ADNOAGJRXXRDFJ-UHFFFAOYSA-N 0 1 251.333 2.883 20 30 CFEDMN COCCOc1ccccc1C=NNc1cccc(C)n1 ZINC000863159741 637574502 /nfs/dbraw/zinc/57/45/02/637574502.db2.gz CUVVOMLTPSOVLA-UHFFFAOYSA-N 0 1 285.347 2.861 20 30 CFEDMN C[C@H]1C(=Nn2cccn2)CCCN1Cc1ccccc1 ZINC000863163774 637576786 /nfs/dbraw/zinc/57/67/86/637576786.db2.gz OVXZNPTWMGPPSZ-AWEZNQCLSA-N 0 1 268.364 2.772 20 30 CFEDMN CC(=NNCCCOCc1ccccc1)c1ccc(N)nc1 ZINC000863177740 637578934 /nfs/dbraw/zinc/57/89/34/637578934.db2.gz QSKAAGGNMSYGJF-UHFFFAOYSA-N 0 1 298.390 2.584 20 30 CFEDMN C[C@@H]1CC(N=Nc2ccnc(C(F)(F)F)c2)C[N@H+]1C ZINC000863182031 637581537 /nfs/dbraw/zinc/58/15/37/637581537.db2.gz WXTZCYNREVKRLL-MRVPVSSYSA-N 0 1 272.274 2.592 20 30 CFEDMN C[C@@H]1CC(N=Nc2ccnc(C(F)(F)F)c2)CN1C ZINC000863182031 637581544 /nfs/dbraw/zinc/58/15/44/637581544.db2.gz WXTZCYNREVKRLL-MRVPVSSYSA-N 0 1 272.274 2.592 20 30 CFEDMN C#CC[C@H]1CCCN(CN2C[C@@H](c3ccccc3)OC2=O)C1 ZINC000863268756 637611084 /nfs/dbraw/zinc/61/10/84/637611084.db2.gz ISWLPEUWRRKTFK-RDJZCZTQSA-N 0 1 298.386 2.873 20 30 CFEDMN N#CC(C(=O)C[C@H]1CCCCO1)c1nc2ccccc2[nH]1 ZINC000119840155 637855032 /nfs/dbraw/zinc/85/50/32/637855032.db2.gz CSSOBYGPLRIMKH-VXGBXAGGSA-N 0 1 283.331 2.698 20 30 CFEDMN C=CCC[C@@H]([NH2+]Cc1nc(C(C)(C)C)cs1)C(=O)[O-] ZINC000864509885 638005469 /nfs/dbraw/zinc/00/54/69/638005469.db2.gz OKQUWZKDYNXDAA-SNVBAGLBSA-N 0 1 282.409 2.950 20 30 CFEDMN CC(C)c1[nH]ncc1C(=O)Nc1cccc(OCC#N)c1 ZINC000864901169 638119271 /nfs/dbraw/zinc/11/92/71/638119271.db2.gz CUHXSNBKZPMGTI-UHFFFAOYSA-N 0 1 284.319 2.688 20 30 CFEDMN Cn1nc2c(c1/C=C\C(=O)c1ccccc1O)CCCC2 ZINC000865219990 638226302 /nfs/dbraw/zinc/22/63/02/638226302.db2.gz BEFNVEPPZWLRTE-KHPPLWFESA-N 0 1 282.343 2.901 20 30 CFEDMN O=C(/C=C/c1ccnn1CC1CCC1)c1ccc(O)cc1O ZINC000865220402 638226390 /nfs/dbraw/zinc/22/63/90/638226390.db2.gz JBYLLAFHYRZGME-QPJJXVBHSA-N 0 1 298.342 2.991 20 30 CFEDMN COc1cncc(CNCc2ccc(C#N)cc2)c1C ZINC000865414789 638321893 /nfs/dbraw/zinc/32/18/93/638321893.db2.gz CLHLAKWZINKIIB-UHFFFAOYSA-N 0 1 267.332 2.560 20 30 CFEDMN Cc1ccc(N(CCC#N)C(=O)CN(C)CC2CC2)cc1C ZINC000077194532 650414757 /nfs/dbraw/zinc/41/47/57/650414757.db2.gz QNKABPLABWIUKZ-UHFFFAOYSA-N 0 1 299.418 2.892 20 30 CFEDMN N#CCOc1ccc(CNCc2ccc([N+](=O)[O-])cc2)cc1 ZINC000077220996 650415232 /nfs/dbraw/zinc/41/52/32/650415232.db2.gz OGIKXVRJGWZMBS-UHFFFAOYSA-N 0 1 297.314 2.787 20 30 CFEDMN CCN1CCN(c2cc(C(F)(F)F)cc(C#N)n2)C[C@@H]1C ZINC000865638289 638480045 /nfs/dbraw/zinc/48/00/45/638480045.db2.gz ATHWYKCJTQKYTR-JTQLQIEISA-N 0 1 298.312 2.502 20 30 CFEDMN C#CCN(C)CCOc1ccc(C(F)(F)F)cc1 ZINC000190371829 650429084 /nfs/dbraw/zinc/42/90/84/650429084.db2.gz IZVDSPQWJCHYGC-UHFFFAOYSA-N 0 1 257.255 2.649 20 30 CFEDMN CN(C)c1ccc(C#N)cc1CN[C@@H]1CCCC[C@@H]1F ZINC000865697155 638520600 /nfs/dbraw/zinc/52/06/00/638520600.db2.gz UBYWLOJPXXHBPH-LSDHHAIUSA-N 0 1 275.371 2.995 20 30 CFEDMN CC[C@@H]1CN(C)CCCN1c1snc(Cl)c1C#N ZINC000865925271 638659345 /nfs/dbraw/zinc/65/93/45/638659345.db2.gz GKCFLRDRYDLBFG-SECBINFHSA-N 0 1 284.816 2.589 20 30 CFEDMN C[C@@H](N[C@H](C)c1cccc(C#N)c1O)c1csnn1 ZINC000866374812 638808906 /nfs/dbraw/zinc/80/89/06/638808906.db2.gz NZAXEUZHQXTPSH-RKDXNWHRSA-N 0 1 274.349 2.527 20 30 CFEDMN N#C[C@@H]1CC[C@H](NCc2noc3ccc(F)cc32)C1 ZINC000866510349 638832538 /nfs/dbraw/zinc/83/25/38/638832538.db2.gz AGKWTEZNMOSGIE-KOLCDFICSA-N 0 1 259.284 2.749 20 30 CFEDMN CC1(NC(=O)[C@H]2NCCc3cc(C#N)ccc32)CCCCC1 ZINC000867942332 638907017 /nfs/dbraw/zinc/90/70/17/638907017.db2.gz PSFYEKYYHBZJGB-INIZCTEOSA-N 0 1 297.402 2.584 20 30 CFEDMN CCC(CC)(CC)NC(=O)[C@@H]1NCCc2cc(C#N)ccc21 ZINC000867952996 638908589 /nfs/dbraw/zinc/90/85/89/638908589.db2.gz KVGBSVYZEJNRQB-MRXNPFEDSA-N 0 1 299.418 2.830 20 30 CFEDMN C#CCN1CCC(N(C)C(=O)C2(C)CCC(C)CC2)CC1 ZINC001006458344 650507302 /nfs/dbraw/zinc/50/73/02/650507302.db2.gz LDCYXNKQTIMKJX-UHFFFAOYSA-N 0 1 290.451 2.759 20 30 CFEDMN CC(C)(C(=O)NOc1cccc(C#N)c1)C1CCC1 ZINC000870689905 639772539 /nfs/dbraw/zinc/77/25/39/639772539.db2.gz CZJGMYVZCRMNCR-UHFFFAOYSA-N 0 1 258.321 2.795 20 30 CFEDMN CCC1(C(=O)NOc2cccc(C#N)c2)CCCC1 ZINC000870691723 639774375 /nfs/dbraw/zinc/77/43/75/639774375.db2.gz PZCGGAOGIBHEFS-UHFFFAOYSA-N 0 1 258.321 2.939 20 30 CFEDMN CC1(C(=O)NOc2cccc(C#N)c2)CCCCC1 ZINC000870691515 639774484 /nfs/dbraw/zinc/77/44/84/639774484.db2.gz NTWJMLDTMJPYPY-UHFFFAOYSA-N 0 1 258.321 2.939 20 30 CFEDMN N#Cc1cccc(ONC(=O)[C@@H]2CC23CCCC3)c1 ZINC000870693040 639775761 /nfs/dbraw/zinc/77/57/61/639775761.db2.gz VZDXFDQVQVHDPD-ZDUSSCGKSA-N 0 1 256.305 2.549 20 30 CFEDMN N#Cc1ccc2nc(NC(=O)COC3CCCCC3)[nH]c2c1 ZINC000871069900 641183908 /nfs/dbraw/zinc/18/39/08/641183908.db2.gz BFHMCQIFIQOVKF-UHFFFAOYSA-N 0 1 298.346 2.722 20 30 CFEDMN C=C[C@@](C)(CC)C(=O)Nc1nc2ccc(C#N)cc2[nH]1 ZINC000871072388 641186073 /nfs/dbraw/zinc/18/60/73/641186073.db2.gz KLQXRVBWMSQHMB-HNNXBMFYSA-N 0 1 268.320 2.975 20 30 CFEDMN CO[C@H](C(=O)Nc1nc2ccc(C#N)cc2[nH]1)C1CCCC1 ZINC000871072049 641186176 /nfs/dbraw/zinc/18/61/76/641186176.db2.gz HNZCLBBXWSUHMC-AWEZNQCLSA-N 0 1 298.346 2.578 20 30 CFEDMN CC(C)(C)O[C@@H]1C[C@H]1C(=O)Nc1nc2ccc(C#N)cc2[nH]1 ZINC000871073335 641188170 /nfs/dbraw/zinc/18/81/70/641188170.db2.gz YCFWHYSHDYYUPG-ZWNOBZJWSA-N 0 1 298.346 2.577 20 30 CFEDMN CC(C)[C@@H]1C[C@@H]1C(=O)Nc1nc2ccc(C#N)cc2[nH]1 ZINC000871073264 641188199 /nfs/dbraw/zinc/18/81/99/641188199.db2.gz VJTAIDMYBWNLFT-QWRGUYRKSA-N 0 1 268.320 2.665 20 30 CFEDMN CCCC1(C(=O)Nc2nc3ccc(C#N)cc3[nH]2)CC1 ZINC000871073275 641188290 /nfs/dbraw/zinc/18/82/90/641188290.db2.gz VWMHSGNYCRGXHQ-UHFFFAOYSA-N 0 1 268.320 2.953 20 30 CFEDMN C=CCNC(=S)N1CCC[C@@H](c2cc(C(C)C)[nH]n2)C1 ZINC000871677875 641398315 /nfs/dbraw/zinc/39/83/15/641398315.db2.gz SLNJJWPGYWSZPY-GFCCVEGCSA-N 0 1 292.452 2.773 20 30 CFEDMN CC(C)(c1nc([C@@H]2CCCN2)no1)c1ccc(C#N)cc1 ZINC000871788609 641457256 /nfs/dbraw/zinc/45/72/56/641457256.db2.gz NEVPACOXZSIXIF-ZDUSSCGKSA-N 0 1 282.347 2.692 20 30 CFEDMN Cc1[nH]n(C[C@H]2CCCC2(F)F)c(=O)c1CCC#N ZINC000871964246 641534676 /nfs/dbraw/zinc/53/46/76/641534676.db2.gz ZZIGJSYWJHHDNO-MNOVXSKESA-N 0 1 269.295 2.560 20 30 CFEDMN Cc1[nH]n(C[C@@H]2CCCC2(F)F)c(=O)c1CCC#N ZINC000871964248 641535179 /nfs/dbraw/zinc/53/51/79/641535179.db2.gz ZZIGJSYWJHHDNO-WDEREUQCSA-N 0 1 269.295 2.560 20 30 CFEDMN N#C[C@@H]1CC[C@@H](NCc2nc(-c3ccncc3)cs2)C1 ZINC000872120670 641650113 /nfs/dbraw/zinc/65/01/13/641650113.db2.gz FJMJIUACDPQIDJ-DGCLKSJQSA-N 0 1 284.388 2.987 20 30 CFEDMN CC1(C)[C@H]2[C@H](CCCN2Cc2cccc(C#N)c2F)[C@@H]1O ZINC000872261344 641724477 /nfs/dbraw/zinc/72/44/77/641724477.db2.gz DUBXLMWBQHFOOU-IMJJTQAJSA-N 0 1 288.366 2.679 20 30 CFEDMN C[C@@H]1C(N=Nc2ccc(F)c(F)c2F)CCN1C ZINC000872378593 641782248 /nfs/dbraw/zinc/78/22/48/641782248.db2.gz MNKYVJLOMZTYLA-SSDOTTSWSA-N 0 1 257.259 2.596 20 30 CFEDMN CC(C)(C)n1nnc(C=NNc2cc(Cl)ccc2F)n1 ZINC000872418707 641803478 /nfs/dbraw/zinc/80/34/78/641803478.db2.gz ZBWNBJWUQNPVGD-UHFFFAOYSA-N 0 1 296.737 2.667 20 30 CFEDMN CCC(=NN=c1cc(C)[nH]c(N)n1)c1cc(C)ccc1OC ZINC000872420483 641805928 /nfs/dbraw/zinc/80/59/28/641805928.db2.gz HSZBCLGHVSVSJE-UHFFFAOYSA-N 0 1 299.378 2.910 20 30 CFEDMN C#CCN(Cc1ccc(F)cc1)C[C@H]1CCC=CO1 ZINC000193808126 650701672 /nfs/dbraw/zinc/70/16/72/650701672.db2.gz HIXWQRMXXPENPV-MRXNPFEDSA-N 0 1 259.324 2.954 20 30 CFEDMN C=C(C)COCCNCc1c(F)cccc1OCC ZINC000873078635 642007878 /nfs/dbraw/zinc/00/78/78/642007878.db2.gz PWXMWIIMFKGHKM-UHFFFAOYSA-N 0 1 267.344 2.907 20 30 CFEDMN N#Cc1c(F)cccc1CNC[C@@H]1C[C@H]2CCC[C@@H]2O1 ZINC000873155958 642038029 /nfs/dbraw/zinc/03/80/29/642038029.db2.gz QCJHUYGGUKWPAP-FFSVYQOJSA-N 0 1 274.339 2.745 20 30 CFEDMN Cc1nccnc1[C@H](C)NCc1ccc(O[C@H](C)C#N)cc1 ZINC000873187605 642055777 /nfs/dbraw/zinc/05/57/77/642055777.db2.gz XUFTZSHJDFVISX-OCCSQVGLSA-N 0 1 296.374 2.927 20 30 CFEDMN CC[C@@H](NCc1nc(C#N)cs1)[C@@H](O)c1ccccc1 ZINC000873194842 642059782 /nfs/dbraw/zinc/05/97/82/642059782.db2.gz JGQPYBIXEHVFSR-HIFRSBDPSA-N 0 1 287.388 2.617 20 30 CFEDMN C#CCOc1cccc(NC(=O)[C@H]2CCN2C2CCCC2)c1 ZINC000874445640 642387152 /nfs/dbraw/zinc/38/71/52/642387152.db2.gz DSEIICUVJBESMG-QGZVFWFLSA-N 0 1 298.386 2.654 20 30 CFEDMN CC(C)[C@H](C(=O)OCC1(CC#N)CC1)N1CCCCC1 ZINC000125037638 642400089 /nfs/dbraw/zinc/40/00/89/642400089.db2.gz VYZYQGVMFVCNPX-CQSZACIVSA-N 0 1 278.396 2.734 20 30 CFEDMN N#CC1(CC(=O)Nc2nc3ccc(Cl)cc3[nH]2)CC1 ZINC000874691199 642451966 /nfs/dbraw/zinc/45/19/66/642451966.db2.gz UZWRKOIXFWNWSS-UHFFFAOYSA-N 0 1 274.711 2.849 20 30 CFEDMN C#CCN1CCC(C(=O)N(CCCC)c2ccccn2)CC1 ZINC000876084965 642770778 /nfs/dbraw/zinc/77/07/78/642770778.db2.gz UYPZOLMGNPQFBL-UHFFFAOYSA-N 0 1 299.418 2.560 20 30 CFEDMN C#CCCCCCCN(C)CC(=O)Nc1cc(C)ccn1 ZINC000876659781 642961883 /nfs/dbraw/zinc/96/18/83/642961883.db2.gz GDCKGWDGKDUIIR-UHFFFAOYSA-N 0 1 287.407 2.844 20 30 CFEDMN N#Cc1cnc(Cl)c(CN2CCC[C@@H]2C2CC2)c1 ZINC000876690493 642975312 /nfs/dbraw/zinc/97/53/12/642975312.db2.gz WKIKNLIZMVQDFQ-CYBMUJFWSA-N 0 1 261.756 2.981 20 30 CFEDMN C=CC(C)(C)CCCNC(=O)[C@H](N)c1cccc(OC)c1 ZINC000877303810 643227486 /nfs/dbraw/zinc/22/74/86/643227486.db2.gz NDCYKTWRNQMJFU-OAHLLOKOSA-N 0 1 290.407 2.804 20 30 CFEDMN CO[C@@]1(C)CCCN(Cc2cc(C#N)cnc2Cl)CC1 ZINC000877492162 643306159 /nfs/dbraw/zinc/30/61/59/643306159.db2.gz SUBJQWQLJBUVDO-HNNXBMFYSA-N 0 1 293.798 2.998 20 30 CFEDMN C#C[C@H](NCc1nc2ccccc2nc1C)C(C)C ZINC000877513551 643319495 /nfs/dbraw/zinc/31/94/95/643319495.db2.gz YIZVVRLAFLSGKN-ZDUSSCGKSA-N 0 1 253.349 2.686 20 30 CFEDMN C#C[C@@H](NCc1cc(OC)c(O)cc1Cl)C(C)C ZINC000877513421 643319537 /nfs/dbraw/zinc/31/95/37/643319537.db2.gz VPHWTVRDVNHTDU-GFCCVEGCSA-N 0 1 267.756 2.802 20 30 CFEDMN CCC[C@]1(NCc2cc(C#N)cnc2Cl)CCOC1 ZINC000877516466 643320998 /nfs/dbraw/zinc/32/09/98/643320998.db2.gz AHIIIFAJJNHIDC-AWEZNQCLSA-N 0 1 279.771 2.655 20 30 CFEDMN CO[C@H]([C@@H](C)NCc1cc(C#N)cnc1Cl)C1CC1 ZINC000877572544 643371254 /nfs/dbraw/zinc/37/12/54/643371254.db2.gz IMTQFDLMJTWMPR-NOZJJQNGSA-N 0 1 279.771 2.510 20 30 CFEDMN C[C@@H]1C[C@@H](NCc2cc(C#N)cnc2Cl)CS1 ZINC000877587923 643382620 /nfs/dbraw/zinc/38/26/20/643382620.db2.gz JSHBXGDFAIOWTK-LDYMZIIASA-N 0 1 267.785 2.590 20 30 CFEDMN C#C[C@H](NCc1nc(C(C)(C)C)cs1)C1CCOCC1 ZINC000877637260 643421590 /nfs/dbraw/zinc/42/15/90/643421590.db2.gz GNVOPSACXCTTIK-ZDUSSCGKSA-N 0 1 292.448 2.959 20 30 CFEDMN C#CC[C@H]1CCN(Cc2c(OC)cc(F)cc2OC)C1 ZINC000877650019 643430534 /nfs/dbraw/zinc/43/05/34/643430534.db2.gz CTGUZHYDFBJWCW-LBPRGKRZSA-N 0 1 277.339 2.688 20 30 CFEDMN C#CC[C@@H]1CCN(Cc2cccnc2Br)C1 ZINC000877649995 643430690 /nfs/dbraw/zinc/43/06/90/643430690.db2.gz BWELFJXPEYYJBR-LLVKDONJSA-N 0 1 279.181 2.689 20 30 CFEDMN CCC[C@H](CNCc1cc(C#N)cnc1Cl)OCC ZINC000877651611 643431829 /nfs/dbraw/zinc/43/18/29/643431829.db2.gz YXPQCEVJROXERH-CYBMUJFWSA-N 0 1 281.787 2.901 20 30 CFEDMN CN(CCc1cccc(C#N)c1)Cc1ccc(Cl)nn1 ZINC000877704161 643470611 /nfs/dbraw/zinc/47/06/11/643470611.db2.gz DUZMCVNTFQEJIY-UHFFFAOYSA-N 0 1 286.766 2.676 20 30 CFEDMN CCCn1nccc1CN(C)CCc1cccc(C#N)c1 ZINC000877704418 643470880 /nfs/dbraw/zinc/47/08/80/643470880.db2.gz HYRSIKZBXKVZSU-UHFFFAOYSA-N 0 1 282.391 2.839 20 30 CFEDMN CN(CCc1cccc(C#N)c1)Cc1ccncc1F ZINC000877705286 643472739 /nfs/dbraw/zinc/47/27/39/643472739.db2.gz YUBAGQLMJRMATH-UHFFFAOYSA-N 0 1 269.323 2.767 20 30 CFEDMN C[C@H](CCC#N)CN1Cc2cccnc2N2CCC[C@@H]2C1 ZINC000877713695 643478438 /nfs/dbraw/zinc/47/84/38/643478438.db2.gz LOZGUAVXZHAHDA-GDBMZVCRSA-N 0 1 284.407 2.806 20 30 CFEDMN CC(C)(C)OC(=O)N[C@@H]1CCCN(CC2(CC#N)CC2)C1 ZINC000877989453 643682419 /nfs/dbraw/zinc/68/24/19/643682419.db2.gz UWSJBQGAFVZFQM-CYBMUJFWSA-N 0 1 293.411 2.669 20 30 CFEDMN CCC[N@@H+](C)CC[C@](C#N)(C(C)=O)c1ccccc1 ZINC000878013372 643692439 /nfs/dbraw/zinc/69/24/39/643692439.db2.gz FKXUJNFBHYYRLL-INIZCTEOSA-N 0 1 258.365 2.769 20 30 CFEDMN C=CC[C@@H](C(=O)OC)N1CC[C@H](c2ccc(OC)cc2)C1 ZINC000878023495 643697631 /nfs/dbraw/zinc/69/76/31/643697631.db2.gz WUDSWSXDPFQNIA-HOCLYGCPSA-N 0 1 289.375 2.602 20 30 CFEDMN C[C@H]1CCc2[nH]ncc2[C@H]1C(=O)Nc1cccc(C#N)c1 ZINC000878026410 643699919 /nfs/dbraw/zinc/69/99/19/643699919.db2.gz WBQZFQBAOUIEJH-BONVTDFDSA-N 0 1 280.331 2.586 20 30 CFEDMN C=CC[C@@H](C)N1CCN(C(=O)c2cc3ccccc3[nH]2)CC1 ZINC000878031449 643702301 /nfs/dbraw/zinc/70/23/01/643702301.db2.gz ZPTDNPOUSVROLO-CQSZACIVSA-N 0 1 297.402 2.890 20 30 CFEDMN CC(C)(C)CN(CCC#N)C[C@H](O)CC1(CO)CCCC1 ZINC000878122035 643747272 /nfs/dbraw/zinc/74/72/72/643747272.db2.gz RERLNHASBWXRLB-OAHLLOKOSA-N 0 1 296.455 2.552 20 30 CFEDMN C=CC[C@H](C(=O)OC)N(CCC)Cc1ccccc1O ZINC000878151124 643762219 /nfs/dbraw/zinc/76/22/19/643762219.db2.gz LZKVFQZGGBKBRI-CQSZACIVSA-N 0 1 277.364 2.722 20 30 CFEDMN CCC(CC)CN(CCC#N)C[C@@H](O)CC1(O)CCCC1 ZINC000878159515 643767418 /nfs/dbraw/zinc/76/74/18/643767418.db2.gz MZPKWHUBRCMVPP-INIZCTEOSA-N 0 1 296.455 2.694 20 30 CFEDMN C=CC[C@H](C)N1CCO[C@H]([C@@H](C)NC(=O)OC(C)(C)C)C1 ZINC000878193131 643787135 /nfs/dbraw/zinc/78/71/35/643787135.db2.gz TXJIDIDMPHOOSA-MJBXVCDLSA-N 0 1 298.427 2.565 20 30 CFEDMN C#C[C@@H](C)[N@H+](C)Cc1cnc(OC)c2ccccc12 ZINC000878517290 643924242 /nfs/dbraw/zinc/92/42/42/643924242.db2.gz OQXRZHJKJQUMLP-GFCCVEGCSA-N 0 1 254.333 2.697 20 30 CFEDMN CN(C)c1ccc(CN(C)[C@@H]2CCC[C@@H]2C#N)cc1 ZINC000879310613 644218477 /nfs/dbraw/zinc/21/84/77/644218477.db2.gz XOVFERANWRKJTD-GDBMZVCRSA-N 0 1 257.381 2.877 20 30 CFEDMN CO[C@@H]1CC[C@H](C)N(Cc2cn3ccccc3c2C#N)C1 ZINC000879317753 644222875 /nfs/dbraw/zinc/22/28/75/644222875.db2.gz GZVFUMBPRYQLIN-DZGCQCFKSA-N 0 1 283.375 2.810 20 30 CFEDMN C=CC[C@H](C)N1Cc2cccnc2N2CCC[C@@H]2C1 ZINC000879503054 644294796 /nfs/dbraw/zinc/29/47/96/644294796.db2.gz UBMIKALEQAKPQG-DZGCQCFKSA-N 0 1 257.381 2.831 20 30 CFEDMN N#Cc1cc(F)ccc1CN1CC[C@H]2CSC[C@@H]2C1 ZINC000879560823 644320234 /nfs/dbraw/zinc/32/02/34/644320234.db2.gz YNCMWBUWCXSDOK-JSGCOSHPSA-N 0 1 276.380 2.882 20 30 CFEDMN N#Cc1cccc(CN2CC[C@@H]3CSC[C@H]3C2)c1F ZINC000879563049 644322113 /nfs/dbraw/zinc/32/21/13/644322113.db2.gz PUURPRXGILCVCT-ZIAGYGMSSA-N 0 1 276.380 2.882 20 30 CFEDMN C=C[C@@H]1CCCCN1C(=O)[C@H]1c2cn[nH]c2CC[C@@H]1C ZINC000879801849 644430256 /nfs/dbraw/zinc/43/02/56/644430256.db2.gz VPOCQOCKXBPIIA-YWPYICTPSA-N 0 1 273.380 2.643 20 30 CFEDMN C=C(CNC(=O)[C@@H]1c2cn[nH]c2CC[C@@H]1C)c1ccccc1 ZINC000879995201 644485581 /nfs/dbraw/zinc/48/55/81/644485581.db2.gz ANURCMJBIOTZCZ-SJCJKPOMSA-N 0 1 295.386 2.905 20 30 CFEDMN CC(=O)Nc1ccc2c(c1)CN([C@H]1CC[C@@H](C#N)C1)CC2 ZINC000880032293 644508280 /nfs/dbraw/zinc/50/82/80/644508280.db2.gz CEJSZZLFJJJSGT-DYVFJYSZSA-N 0 1 283.375 2.695 20 30 CFEDMN CCC#C[C@H](C)N1CC[C@@H](C(F)(F)F)O[C@@H](C)C1 ZINC000880062478 644519106 /nfs/dbraw/zinc/51/91/06/644519106.db2.gz MYRNMVCYZPPYBF-SRVKXCTJSA-N 0 1 263.303 2.830 20 30 CFEDMN CN(C[C@@H]1CN(c2ccccc2)C(=O)O1)CC1(CC#N)CC1 ZINC000880081346 644525256 /nfs/dbraw/zinc/52/52/56/644525256.db2.gz NNVMXBAAQNAKPJ-OAHLLOKOSA-N 0 1 299.374 2.637 20 30 CFEDMN N#CCC1(CN2C[C@@H]3C[C@H]2CN3c2ccccc2)CC1 ZINC000880188607 644572227 /nfs/dbraw/zinc/57/22/27/644572227.db2.gz LFRXEPYJPIXTFU-HOTGVXAUSA-N 0 1 267.376 2.643 20 30 CFEDMN C#CCC1(O)CCN(Cc2sccc2Cl)CC1 ZINC000880483548 644732687 /nfs/dbraw/zinc/73/26/87/644732687.db2.gz DMTUICVCLOUACC-UHFFFAOYSA-N 0 1 269.797 2.752 20 30 CFEDMN CCO[C@H](C)c1nc(CON=C(N)C(C)C)cs1 ZINC000128533727 644794014 /nfs/dbraw/zinc/79/40/14/644794014.db2.gz HUSJZLIOQVFLQS-SECBINFHSA-N 0 1 271.386 2.685 20 30 CFEDMN C=CC[C@@H]1CCCN(C(=O)[C@@H]2c3cn[nH]c3CC[C@H]2C)C1 ZINC000880668934 644801412 /nfs/dbraw/zinc/80/14/12/644801412.db2.gz ATTKJGSLIXOUQY-IOASZLSFSA-N 0 1 287.407 2.890 20 30 CFEDMN C=CCCSCCNC(=O)[C@H]1c2cn[nH]c2CC[C@H]1C ZINC000880669016 644801418 /nfs/dbraw/zinc/80/14/18/644801418.db2.gz BHFWQJDHTMOHMI-BXUZGUMPSA-N 0 1 293.436 2.501 20 30 CFEDMN CC(C)C(N)=NOCc1ccn(-c2c(F)cccc2F)n1 ZINC000128622940 644839525 /nfs/dbraw/zinc/83/95/25/644839525.db2.gz PPQKGDZFKWOWSZ-UHFFFAOYSA-N 0 1 294.305 2.595 20 30 CFEDMN C=CC(C)(C)CCNC(=O)[C@H]1c2cn[nH]c2CC[C@H]1C ZINC000880824604 644843126 /nfs/dbraw/zinc/84/31/26/644843126.db2.gz NHJPBTAGTJHRRE-BXUZGUMPSA-N 0 1 275.396 2.794 20 30 CFEDMN Cc1ccc(N[C@H]2CN(C)Cc3ccccc32)c(C#N)n1 ZINC000882136950 645216476 /nfs/dbraw/zinc/21/64/76/645216476.db2.gz SMUMHZKMNZSQCO-KRWDZBQOSA-N 0 1 278.359 2.860 20 30 CFEDMN C[C@@H](Cc1cnc[nH]1)C(=O)Nc1ccc(C2CC2)c(C#N)c1 ZINC000882309754 645276757 /nfs/dbraw/zinc/27/67/57/645276757.db2.gz LLMXQQLRAWFNRG-NSHDSACASA-N 0 1 294.358 2.976 20 30 CFEDMN Cc1nc(CC(=O)Nc2cc(C#N)ccc2O)c(C)s1 ZINC000129878627 645421267 /nfs/dbraw/zinc/42/12/67/645421267.db2.gz XZXNFJITUVYUNU-UHFFFAOYSA-N 0 1 287.344 2.518 20 30 CFEDMN CC(C)(C#N)CCS(=O)(=O)Nc1ncsc1C1CC1 ZINC000882773070 645451321 /nfs/dbraw/zinc/45/13/21/645451321.db2.gz YFDTYBNLXBBVIP-UHFFFAOYSA-N 0 1 299.421 2.702 20 30 CFEDMN C#CC[C@H](CO)NCc1ccc(Oc2ccccc2)o1 ZINC000883124255 645614298 /nfs/dbraw/zinc/61/42/98/645614298.db2.gz BRTQLPAENHJXQH-CYBMUJFWSA-N 0 1 271.316 2.546 20 30 CFEDMN C=CCC[C@@H](NCc1ncnn1C(C)(C)C)[C@@H]1CCCO1 ZINC000883220192 645673057 /nfs/dbraw/zinc/67/30/57/645673057.db2.gz GBPXLKLYSBITRR-KGLIPLIRSA-N 0 1 292.427 2.637 20 30 CFEDMN C=CCC[C@@H](NCc1nnc(CC)s1)[C@H]1CCCO1 ZINC000883223741 645675291 /nfs/dbraw/zinc/67/52/91/645675291.db2.gz WBVIZIFCOKKJSA-VXGBXAGGSA-N 0 1 281.425 2.704 20 30 CFEDMN C=CCC[C@H](NCc1nccn1CC)[C@H]1CCCO1 ZINC000883226101 645675991 /nfs/dbraw/zinc/67/59/91/645675991.db2.gz SEZBSYGEZITEDC-UONOGXRCSA-N 0 1 263.385 2.506 20 30 CFEDMN C=CCC[C@H](NCc1nccc(OC)c1F)[C@@H]1CCCO1 ZINC000883236326 645685325 /nfs/dbraw/zinc/68/53/25/645685325.db2.gz YXOUGFVTKCRYAA-JSGCOSHPSA-N 0 1 294.370 2.833 20 30 CFEDMN C=CCC[C@@H](NCc1nn(C)cc1C(F)F)[C@H]1CCCO1 ZINC000883242943 645691448 /nfs/dbraw/zinc/69/14/48/645691448.db2.gz WZMCRWIGOCXKIU-TZMCWYRMSA-N 0 1 299.365 2.961 20 30 CFEDMN C#CC1(NCc2nn(C)c3ccccc23)CCCC1 ZINC000883362709 645769515 /nfs/dbraw/zinc/76/95/15/645769515.db2.gz LPUGSGIZVVDUJO-UHFFFAOYSA-N 0 1 253.349 2.609 20 30 CFEDMN C#CC1(NCc2cn3cccc(F)c3n2)CCCC1 ZINC000883363093 645770548 /nfs/dbraw/zinc/77/05/48/645770548.db2.gz VUFMAUNYIVFRPK-UHFFFAOYSA-N 0 1 257.312 2.509 20 30 CFEDMN C=C(C)C[C@H](CO)N[C@H](C)c1nc(C)sc1C ZINC000883390139 645788119 /nfs/dbraw/zinc/78/81/19/645788119.db2.gz GMZZJZIWKDMGIH-BXKDBHETSA-N 0 1 254.399 2.738 20 30 CFEDMN C=C(C)C[C@H](CO)NCc1ncc(C(C)C)s1 ZINC000883400605 645797523 /nfs/dbraw/zinc/79/75/23/645797523.db2.gz QTJFKRYSPKEFTB-LLVKDONJSA-N 0 1 254.399 2.683 20 30 CFEDMN C=CC[C@@H](C)[N@H+]1C[C@H](C(=O)[O-])[C@@H](c2ccccc2)C1 ZINC000883409279 645805440 /nfs/dbraw/zinc/80/54/40/645805440.db2.gz SNRIJILBPIGQHP-YUELXQCFSA-N 0 1 259.349 2.751 20 30 CFEDMN C=CC[C@H](C)NC(=O)[C@@H](N)c1ccc(Br)cc1 ZINC000884145340 646236825 /nfs/dbraw/zinc/23/68/25/646236825.db2.gz IDJOTCUDZAXKKS-CABZTGNLSA-N 0 1 297.196 2.530 20 30 CFEDMN CSCc1n[nH]c(CNc2ccc(Cl)cc2C#N)n1 ZINC000884695147 646530356 /nfs/dbraw/zinc/53/03/56/646530356.db2.gz LXQXOGXWRCWCRL-UHFFFAOYSA-N 0 1 293.783 2.805 20 30 CFEDMN CSCc1nnc(CNc2ccc(Cl)cc2C#N)[nH]1 ZINC000884695147 646530358 /nfs/dbraw/zinc/53/03/58/646530358.db2.gz LXQXOGXWRCWCRL-UHFFFAOYSA-N 0 1 293.783 2.805 20 30 CFEDMN Cc1nc(C2CCN(c3ccc(C#N)cn3)CC2)[nH]c1C ZINC000884706212 646534538 /nfs/dbraw/zinc/53/45/38/646534538.db2.gz VRVDBJOSHWOCBC-UHFFFAOYSA-N 0 1 281.363 2.677 20 30 CFEDMN C[C@H]1CCc2[nH]ncc2[C@H]1C(=O)OCCC(C)(C)C#N ZINC000885257793 646650194 /nfs/dbraw/zinc/65/01/94/646650194.db2.gz DLPKSZYGNROUBU-GWCFXTLKSA-N 0 1 275.352 2.559 20 30 CFEDMN N#CC1(C[C@H](O)C[N@H+]2CCC[C@H](C(F)(F)F)C2)CCC1 ZINC000885930690 646772046 /nfs/dbraw/zinc/77/20/46/646772046.db2.gz DUZFGQPPBQXOIM-RYUDHWBXSA-N 0 1 290.329 2.706 20 30 CFEDMN CCCCCCCCN1CCN(c2ncccn2)CC1 ZINC000136456300 646808400 /nfs/dbraw/zinc/80/84/00/646808400.db2.gz YOHWECNTXAXFMV-UHFFFAOYSA-N 0 1 276.428 2.959 20 30 CFEDMN C#C[C@H](NC/C=C\c1cccc(F)c1)[C@@H]1CCCO1 ZINC000886070912 646854006 /nfs/dbraw/zinc/85/40/06/646854006.db2.gz XXGBPMVBULGMCO-GTEGOMCXSA-N 0 1 259.324 2.609 20 30 CFEDMN CN(Cc1nc2ccccc2o1)C[C@@H](O)CC1(C#N)CCC1 ZINC000886075731 646855683 /nfs/dbraw/zinc/85/56/83/646855683.db2.gz GUNCJNVACZOUMF-ZDUSSCGKSA-N 0 1 299.374 2.704 20 30 CFEDMN N#CC1(C[C@@H](O)CN2CCc3ccc(F)cc3C2)CCC1 ZINC000886076342 646856882 /nfs/dbraw/zinc/85/68/82/646856882.db2.gz NCCFNMCZXYICIX-MRXNPFEDSA-N 0 1 288.366 2.629 20 30 CFEDMN Cc1n[nH]c(CN[C@@H]2CCc3cc(C#N)ccc32)c1C ZINC000886098130 646865696 /nfs/dbraw/zinc/86/56/96/646865696.db2.gz JJNQFFZYZWWGFG-OAHLLOKOSA-N 0 1 266.348 2.675 20 30 CFEDMN Cc1cnc(C(C)(C)NC[C@H](O)CC2(C#N)CCC2)s1 ZINC000886129626 646886741 /nfs/dbraw/zinc/88/67/41/646886741.db2.gz JZGNSAQPANRZKS-GFCCVEGCSA-N 0 1 293.436 2.721 20 30 CFEDMN CCn1cncc1CNCc1ccc(SC)c(C#N)c1 ZINC000886277004 646947096 /nfs/dbraw/zinc/94/70/96/646947096.db2.gz CQDBVCGVRNBKNP-UHFFFAOYSA-N 0 1 286.404 2.786 20 30 CFEDMN CSc1ccc(CNCc2c(C)cnn2C)cc1C#N ZINC000886277347 646947537 /nfs/dbraw/zinc/94/75/37/646947537.db2.gz NUKZIVLJCRPIQC-UHFFFAOYSA-N 0 1 286.404 2.612 20 30 CFEDMN C[C@H]1CC(F)(F)CC[N@H+]1C[C@@H](O)CC1(C#N)CCC1 ZINC000886300753 646959103 /nfs/dbraw/zinc/95/91/03/646959103.db2.gz OVJBKIUNQXWRQN-RYUDHWBXSA-N 0 1 272.339 2.551 20 30 CFEDMN C#CC[C@@H]1CC[N@H+]([C@@H](C)C(=O)N(CC)c2ccccc2)C1 ZINC000886353454 646982923 /nfs/dbraw/zinc/98/29/23/646982923.db2.gz JQPABIYNQLSHPH-JKSUJKDBSA-N 0 1 284.403 2.773 20 30 CFEDMN C#CC[C@@H]1CC[N@@H+](Cc2nc(-c3ccsc3)no2)C1 ZINC000886353838 646982950 /nfs/dbraw/zinc/98/29/50/646982950.db2.gz RABLAWNJVIGJHR-LLVKDONJSA-N 0 1 273.361 2.643 20 30 CFEDMN C#CC[C@@H]1CCN(Cc2nc(-c3ccsc3)no2)C1 ZINC000886353838 646982951 /nfs/dbraw/zinc/98/29/51/646982951.db2.gz RABLAWNJVIGJHR-LLVKDONJSA-N 0 1 273.361 2.643 20 30 CFEDMN C#CC[C@H]1CCN([C@@H](C)C(=O)Nc2cc(F)ccc2C)C1 ZINC000886356330 646984836 /nfs/dbraw/zinc/98/48/36/646984836.db2.gz YCHNDBWJSQIVSO-KBPBESRZSA-N 0 1 288.366 2.806 20 30 CFEDMN C#CC[C@H]1CCN([C@@H](C(=O)OC)c2ccccc2C)C1 ZINC000886364132 646989062 /nfs/dbraw/zinc/98/90/62/646989062.db2.gz PLFGEKNSCCHCEX-GOEBONIOSA-N 0 1 271.360 2.554 20 30 CFEDMN N#CCc1ccc(CN[C@@H]2CCc3cccnc32)cc1 ZINC000886629878 647077157 /nfs/dbraw/zinc/07/71/57/647077157.db2.gz QCUJNKOKKUQXSF-MRXNPFEDSA-N 0 1 263.344 2.925 20 30 CFEDMN C#CCC1(NC(=O)[C@H]2CCCc3[nH]ncc32)CCCCC1 ZINC000886654889 647091492 /nfs/dbraw/zinc/09/14/92/647091492.db2.gz SVOZSECPVGMUCU-ZDUSSCGKSA-N 0 1 285.391 2.672 20 30 CFEDMN C#CCC1(NC(=O)[C@H]2c3cn[nH]c3CC[C@H]2C)CCCCC1 ZINC000886658980 647093388 /nfs/dbraw/zinc/09/33/88/647093388.db2.gz YILOXAFMZLMANS-CZUORRHYSA-N 0 1 299.418 2.918 20 30 CFEDMN N#Cc1cccc([N+](=O)[O-])c1CNC1(C2CC2)CCC1 ZINC000887148677 647231781 /nfs/dbraw/zinc/23/17/81/647231781.db2.gz PBXZDYLWXDEYPL-UHFFFAOYSA-N 0 1 271.320 2.889 20 30 CFEDMN CC[C@@H]([NH2+]C[C@H]1CCCN(C)C1)c1cccc(C#N)c1[O-] ZINC000925011927 648088658 /nfs/dbraw/zinc/08/86/58/648088658.db2.gz SUQTZTUGCXFGNX-CZUORRHYSA-N 0 1 287.407 2.646 20 30 CFEDMN COC1(OC)CC[C@H]1NC1(c2ccc(C#N)cc2)CCC1 ZINC000926671881 648569690 /nfs/dbraw/zinc/56/96/90/648569690.db2.gz QPVLLZOWMPTGIE-OAHLLOKOSA-N 0 1 286.375 2.679 20 30 CFEDMN C#CCN1CCC(NC(=O)c2cc3cccc(C)c3o2)CC1 ZINC000928658217 648938652 /nfs/dbraw/zinc/93/86/52/648938652.db2.gz MZQXLISCTFCXAV-UHFFFAOYSA-N 0 1 296.370 2.569 20 30 CFEDMN C#CCN1CCC(NC(=O)/C=C\C2CCCCCC2)CC1 ZINC000928649007 648938976 /nfs/dbraw/zinc/93/89/76/648938976.db2.gz FOIZBNJEGCEGFA-KTKRTIGZSA-N 0 1 288.435 2.727 20 30 CFEDMN C#CCN1CCC(NC(=O)/C=C/C2CCCCCC2)CC1 ZINC000928649008 648939086 /nfs/dbraw/zinc/93/90/86/648939086.db2.gz FOIZBNJEGCEGFA-MDZDMXLPSA-N 0 1 288.435 2.727 20 30 CFEDMN N#CC[C@@H](NC(=O)C(F)(F)c1ccccc1)C(F)(F)F ZINC000928816343 648959805 /nfs/dbraw/zinc/95/98/05/648959805.db2.gz XWIBLZYWLWEROK-SECBINFHSA-N 0 1 292.207 2.739 20 30 CFEDMN CCc1ccc([C@H]2C[C@@H](C)CCN2C[C@H](O)CC#N)o1 ZINC000929759808 649114251 /nfs/dbraw/zinc/11/42/51/649114251.db2.gz MONORBNFNLMIKS-GZBFAFLISA-N 0 1 276.380 2.890 20 30 CFEDMN CCO[C@@H]1C[C@@H](N(C)Cc2cncc(C#N)c2)C12CCC2 ZINC000929840351 649136556 /nfs/dbraw/zinc/13/65/56/649136556.db2.gz DMTGMWPZAREASB-HZPDHXFCSA-N 0 1 285.391 2.733 20 30 CFEDMN N#CC[C@@H](O)CNC1(c2cccc(C(F)(F)F)c2)CC1 ZINC000929959192 649156065 /nfs/dbraw/zinc/15/60/65/649156065.db2.gz PTLVWVJKRJPTOY-GFCCVEGCSA-N 0 1 284.281 2.559 20 30 CFEDMN CCC[N@H+](Cc1cncc(C#N)c1)C[C@@H]1CCCCO1 ZINC000929968482 649157425 /nfs/dbraw/zinc/15/74/25/649157425.db2.gz QGQBCBNKBNRETF-INIZCTEOSA-N 0 1 273.380 2.734 20 30 CFEDMN N#CC1(CCCCN2CCc3c[nH]nc3C2)CCC1 ZINC000930069587 649178272 /nfs/dbraw/zinc/17/82/72/649178272.db2.gz POKKANMOAMERJG-UHFFFAOYSA-N 0 1 258.369 2.632 20 30 CFEDMN COC(=O)/C=C(\C)CN1CC=C(c2ccc(C#N)cc2)CC1 ZINC000930157118 649195176 /nfs/dbraw/zinc/19/51/76/649195176.db2.gz BHODMVXDSHHBGO-SDNWHVSQSA-N 0 1 296.370 2.767 20 30 CFEDMN C#CC[C@@H](NCc1[nH]c(C)nc1C)c1ccccc1 ZINC000930221314 649208620 /nfs/dbraw/zinc/20/86/20/649208620.db2.gz SFYFLWQLWAPUOP-OAHLLOKOSA-N 0 1 253.349 2.881 20 30 CFEDMN N#CC[C@@H](O)CN[C@H](c1ccccc1F)C1CCCC1 ZINC000930233470 649211237 /nfs/dbraw/zinc/21/12/37/649211237.db2.gz QXBLOSYFSXPRJN-CJNGLKHVSA-N 0 1 276.355 2.921 20 30 CFEDMN CN(CCc1ccccc1[N+](=O)[O-])Cc1cncc(C#N)c1 ZINC000930441569 649248436 /nfs/dbraw/zinc/24/84/36/649248436.db2.gz RHTGFVRASLJXIY-UHFFFAOYSA-N 0 1 296.330 2.536 20 30 CFEDMN CC[C@@H]1CN(CC2CCC(C#N)CC2)C[C@H](C)[S@@]1=O ZINC000930455499 649251930 /nfs/dbraw/zinc/25/19/30/649251930.db2.gz PFLYKRYFHZOEJH-NYZSYXLISA-N 0 1 282.453 2.548 20 30 CFEDMN C=C(C)CN(CCc1ccns1)Cc1ccc(CO)o1 ZINC000930457348 649252552 /nfs/dbraw/zinc/25/25/52/649252552.db2.gz ZGMBMDTVTRGPGP-UHFFFAOYSA-N 0 1 292.404 2.849 20 30 CFEDMN C[C@H](C#N)CN(C)C(=O)c1cccc2[nH]c(C(F)F)nc21 ZINC000930485826 649258176 /nfs/dbraw/zinc/25/81/76/649258176.db2.gz GNDFYLZXXHYNGQ-MRVPVSSYSA-N 0 1 292.289 2.732 20 30 CFEDMN CN(CCCCC1(C#N)CCC1)[C@@H]1CC(C)(C)OC1=O ZINC000930563500 649275092 /nfs/dbraw/zinc/27/50/92/649275092.db2.gz WNCUDJXJLGUZTQ-CYBMUJFWSA-N 0 1 278.396 2.876 20 30 CFEDMN C#CCN1CCC(NC(=O)Nc2ccc(CC)c(C)c2)CC1 ZINC000930650159 649296970 /nfs/dbraw/zinc/29/69/70/649296970.db2.gz ISGPXOCYHYWLAW-UHFFFAOYSA-N 0 1 299.418 2.777 20 30 CFEDMN N#Cc1cncc(CN2CCC[C@]3(CCSC3)C2)c1 ZINC000930665364 649301881 /nfs/dbraw/zinc/30/18/81/649301881.db2.gz YGFUJJRZDXIEOL-HNNXBMFYSA-N 0 1 273.405 2.672 20 30 CFEDMN C[C@H](c1cccc(C#N)c1)N(C)Cc1cnn(CCF)c1 ZINC000930764882 649322928 /nfs/dbraw/zinc/32/29/28/649322928.db2.gz QHXPMPHRMLAXTM-CYBMUJFWSA-N 0 1 286.354 2.917 20 30 CFEDMN Cc1cc(C#N)cc(C)c1CN1C[C@@H](C)N(CC#N)[C@H](C)C1 ZINC000930829373 649333352 /nfs/dbraw/zinc/33/33/52/649333352.db2.gz UBACBBZXMWCMGA-HZPDHXFCSA-N 0 1 296.418 2.593 20 30 CFEDMN C[C@H]1CN(C[C@H](O)CC#N)CCc2ccc(Cl)cc21 ZINC000930849145 649335770 /nfs/dbraw/zinc/33/57/70/649335770.db2.gz KMAIKTCLEMETBE-SMDDNHRTSA-N 0 1 278.783 2.576 20 30 CFEDMN CC(C)CN(CCC#N)C(=O)c1cc(F)cc(F)c1O ZINC000930902125 649346201 /nfs/dbraw/zinc/34/62/01/649346201.db2.gz NRUBCNQOOATFAD-UHFFFAOYSA-N 0 1 282.290 2.682 20 30 CFEDMN N#Cc1cc(Cl)cc(CN2CCC[C@](O)(C3CC3)C2)c1 ZINC000930997259 649361539 /nfs/dbraw/zinc/36/15/39/649361539.db2.gz FMHDUPMWUXGPDL-MRXNPFEDSA-N 0 1 290.794 2.949 20 30 CFEDMN CN(Cc1cc(Cl)cc(C#N)c1)CC1=CCCOC1 ZINC000930998708 649362779 /nfs/dbraw/zinc/36/27/79/649362779.db2.gz UFKFWVXDZOTMDU-UHFFFAOYSA-N 0 1 276.767 2.990 20 30 CFEDMN Cc1ncc(CN2CCC(c3ccc(C#N)cn3)CC2)o1 ZINC000931112344 649381684 /nfs/dbraw/zinc/38/16/84/649381684.db2.gz DWOVQKJLZPNLDQ-UHFFFAOYSA-N 0 1 282.347 2.629 20 30 CFEDMN CC[C@@](C)(C#N)NC(=O)c1cccc2nc(C(F)F)[nH]c21 ZINC000931299429 649403418 /nfs/dbraw/zinc/40/34/18/649403418.db2.gz DKISRUVQNUDQGV-AWEZNQCLSA-N 0 1 292.289 2.923 20 30 CFEDMN N#Cc1cncc(CN[C@H]2CCc3c2cccc3F)c1 ZINC000931755993 649484722 /nfs/dbraw/zinc/48/47/22/649484722.db2.gz YTHSVTOBCJIHFS-INIZCTEOSA-N 0 1 267.307 2.869 20 30 CFEDMN Cn1ccc([C@H]2CCCN(Cc3ccccc3C#N)C2)n1 ZINC000932136667 649547559 /nfs/dbraw/zinc/54/75/59/649547559.db2.gz PGXGCRDSMHGVTA-INIZCTEOSA-N 0 1 280.375 2.671 20 30 CFEDMN Cc1cnn(CCCCCN2CCC[C@H](C#N)C2)c1 ZINC000932156653 649552855 /nfs/dbraw/zinc/55/28/55/649552855.db2.gz LSWGYWSQBIVIBN-OAHLLOKOSA-N 0 1 260.385 2.597 20 30 CFEDMN C#CCN(Cc1ccc(Br)cn1)C(C)C ZINC000932388468 649585400 /nfs/dbraw/zinc/58/54/00/649585400.db2.gz LDNACMKEAJQFAD-UHFFFAOYSA-N 0 1 267.170 2.688 20 30 CFEDMN C#CC[N@H+](C[C@H](C)C(=O)c1ccc([O-])cc1)C(C)C ZINC000932383106 649589443 /nfs/dbraw/zinc/58/94/43/649589443.db2.gz DVXHFGCEVHUTGA-ZDUSSCGKSA-N 0 1 259.349 2.555 20 30 CFEDMN C#CC[N@@H+](C[C@H](C)C(=O)c1ccc([O-])cc1)C(C)C ZINC000932383106 649589447 /nfs/dbraw/zinc/58/94/47/649589447.db2.gz DVXHFGCEVHUTGA-ZDUSSCGKSA-N 0 1 259.349 2.555 20 30 CFEDMN C#CCN(Cc1cccc(Br)n1)C(C)C ZINC000932384578 649589882 /nfs/dbraw/zinc/58/98/82/649589882.db2.gz VAMGUFNSMAMWFB-UHFFFAOYSA-N 0 1 267.170 2.688 20 30 CFEDMN N#Cc1cncc(CN[C@H](c2ccccn2)C2CC2)c1 ZINC000932385544 649590560 /nfs/dbraw/zinc/59/05/60/649590560.db2.gz JCJZDXWQLFMSRG-INIZCTEOSA-N 0 1 264.332 2.589 20 30 CFEDMN C[C@@H]1[C@H](NC(=O)Nc2ccc(C3CC3)c(C#N)c2)CC[N@H+]1C ZINC000932423289 649597172 /nfs/dbraw/zinc/59/71/72/649597172.db2.gz QWNICEADZPEBJO-BDJLRTHQSA-N 0 1 298.390 2.650 20 30 CFEDMN C=CCCCN1CCn2nc(C(F)(F)F)cc2C1 ZINC000932596379 649626121 /nfs/dbraw/zinc/62/61/21/649626121.db2.gz MBVPZNFFTVFXSP-UHFFFAOYSA-N 0 1 259.275 2.684 20 30 CFEDMN C=C(C)[C@H](CO)N[C@H](C)c1cc(Cl)cc2c1OCC2 ZINC000933270557 649684211 /nfs/dbraw/zinc/68/42/11/649684211.db2.gz CYAUNAPYNBEWKE-YGRLFVJLSA-N 0 1 281.783 2.863 20 30 CFEDMN C#CCC1(N[C@H](C)c2cn(-c3ccccc3)nn2)CCC1 ZINC000933299235 649685779 /nfs/dbraw/zinc/68/57/79/649685779.db2.gz RHDSZZZGDFZQEU-CQSZACIVSA-N 0 1 280.375 2.864 20 30 CFEDMN Cc1cc(C#N)ccc1CN(C)Cc1cccc(=O)[nH]1 ZINC000933400588 649691616 /nfs/dbraw/zinc/69/16/16/649691616.db2.gz WPFDXXFKLCOWKT-UHFFFAOYSA-N 0 1 267.332 2.599 20 30 CFEDMN Cc1cc(CN(C)Cc2cccc(=O)[nH]2)ccc1C#N ZINC000933402212 649692267 /nfs/dbraw/zinc/69/22/67/649692267.db2.gz RIEQLNGKENCRBY-UHFFFAOYSA-N 0 1 267.332 2.599 20 30 CFEDMN C=CC[C@H](C)N1CCO[C@H](c2ccc(C#N)cc2)C1 ZINC000933631474 649709199 /nfs/dbraw/zinc/70/91/99/649709199.db2.gz JXLHWKIKMIYOOS-BBRMVZONSA-N 0 1 256.349 2.896 20 30 CFEDMN Cc1nc(C)c(CN2CCC3(CC2)CC(=O)C=CO3)s1 ZINC000933652108 649710581 /nfs/dbraw/zinc/71/05/81/649710581.db2.gz RDZXWEAGVAGMCR-UHFFFAOYSA-N 0 1 292.404 2.598 20 30 CFEDMN CN(CCOCC(F)(F)F)Cc1cc(C#N)cs1 ZINC000933778559 649721491 /nfs/dbraw/zinc/72/14/91/649721491.db2.gz QYWPAWDOOGTBDQ-UHFFFAOYSA-N 0 1 278.299 2.630 20 30 CFEDMN C=CC[C@H]1CCN1Cc1cc(=O)[nH]c(-c2ccccc2)n1 ZINC000934460925 649787967 /nfs/dbraw/zinc/78/79/67/649787967.db2.gz TYKCRVAELMBANB-HNNXBMFYSA-N 0 1 281.359 3.000 20 30 CFEDMN C=CC[C@@H]1CCN1CC(=O)N[C@H](C)c1ccc(F)cc1 ZINC000934470717 649790353 /nfs/dbraw/zinc/79/03/53/649790353.db2.gz QDRSNNDVKXWRDQ-IUODEOHRSA-N 0 1 276.355 2.653 20 30 CFEDMN C=CCCCN(CC)Cc1cn(C(C)(C)C)nn1 ZINC000934648374 649811449 /nfs/dbraw/zinc/81/14/49/649811449.db2.gz YWUFLFOPYKGWGB-UHFFFAOYSA-N 0 1 250.390 2.821 20 30 CFEDMN N#Cc1cncc(CN[C@H](c2ccncc2)C2CC2)c1 ZINC000934697838 649816424 /nfs/dbraw/zinc/81/64/24/649816424.db2.gz LXBCTRUOFHWBJY-INIZCTEOSA-N 0 1 264.332 2.589 20 30 CFEDMN C=C(C)CN1CCC[C@H](NC(=O)c2cscc2C)C1 ZINC001007004270 651130672 /nfs/dbraw/zinc/13/06/72/651130672.db2.gz KKHBDXPZPLHLBT-ZDUSSCGKSA-N 0 1 278.421 2.827 20 30 CFEDMN C=CCN1CCC[C@H](NC(=O)c2cccc3c2CCCC3)C1 ZINC001007399637 651134372 /nfs/dbraw/zinc/13/43/72/651134372.db2.gz HEKYRQLBUOEZEV-INIZCTEOSA-N 0 1 298.430 2.946 20 30 CFEDMN C=CCN1CCC[C@@H](NC(=O)c2ccc3nc(C)oc3c2)C1 ZINC001007533325 651136603 /nfs/dbraw/zinc/13/66/03/651136603.db2.gz YVFCMVRZMVNECF-CQSZACIVSA-N 0 1 299.374 2.516 20 30 CFEDMN C=CCN1CCC[C@@H](NC(=O)c2c[nH]c3ccccc23)C1 ZINC001007807859 651139419 /nfs/dbraw/zinc/13/94/19/651139419.db2.gz BICXQRYMPCCJEK-CYBMUJFWSA-N 0 1 283.375 2.548 20 30 CFEDMN C=CCN1CCC[C@@H](NC(=O)c2ccnc3ccccc32)C1 ZINC001007846696 651140092 /nfs/dbraw/zinc/14/00/92/651140092.db2.gz WGKMOXPFHIFODJ-CQSZACIVSA-N 0 1 295.386 2.615 20 30 CFEDMN C=CCN1CCC[C@H](NC(=O)c2cc(Cl)ccc2F)C1 ZINC001007857708 651140157 /nfs/dbraw/zinc/14/01/57/651140157.db2.gz GZLDLWHMSPAISA-LBPRGKRZSA-N 0 1 296.773 2.859 20 30 CFEDMN C=CCN1CCC[C@@H](NC(=O)C2(c3ccccc3)CCC2)C1 ZINC001007857009 651140182 /nfs/dbraw/zinc/14/01/82/651140182.db2.gz FCNOKNXQIKPBBP-QGZVFWFLSA-N 0 1 298.430 2.875 20 30 CFEDMN C=CCN1CCC[C@H](NC(=O)C(C)(C)c2cccs2)C1 ZINC001008181951 651143026 /nfs/dbraw/zinc/14/30/26/651143026.db2.gz IHANEXVRENIZLP-ZDUSSCGKSA-N 0 1 292.448 2.792 20 30 CFEDMN C=CCN1CCC[C@H](NC(=O)c2cc3ccccc3n2C)C1 ZINC001008345835 651147348 /nfs/dbraw/zinc/14/73/48/651147348.db2.gz YJAJZZAOCODMMK-HNNXBMFYSA-N 0 1 297.402 2.559 20 30 CFEDMN C=CCN1CCC[C@H](NC(=O)Cc2cc(C)cc(C)c2)C1 ZINC001008398869 651147653 /nfs/dbraw/zinc/14/76/53/651147653.db2.gz KBVFJCNFEJMWGY-KRWDZBQOSA-N 0 1 286.419 2.613 20 30 CFEDMN C=C(C)CN1CCC[C@H](NC(=O)c2occc2Cl)C1 ZINC001008414438 651148024 /nfs/dbraw/zinc/14/80/24/651148024.db2.gz AIPMHUSXBHXMSR-NSHDSACASA-N 0 1 282.771 2.703 20 30 CFEDMN C=CCN1CCC[C@@H](NC(=O)[C@@H]2CCCC(F)(F)C2)C1 ZINC001008499901 651149666 /nfs/dbraw/zinc/14/96/66/651149666.db2.gz KNKZFXIMEJRRKL-CHWSQXEVSA-N 0 1 286.366 2.579 20 30 CFEDMN C=CCN1CCC[C@@H](NC(=O)[C@@H](C)c2cccs2)C1 ZINC001008502419 651149952 /nfs/dbraw/zinc/14/99/52/651149952.db2.gz PNAKVSPATDTZCP-QWHCGFSZSA-N 0 1 278.421 2.618 20 30 CFEDMN C=CCN1CCC[C@@H](NC(=O)c2cccc3[nH]ccc32)C1 ZINC001008628650 651151340 /nfs/dbraw/zinc/15/13/40/651151340.db2.gz JVSBOSJOOIUNIM-CYBMUJFWSA-N 0 1 283.375 2.548 20 30 CFEDMN C=CCN1CCC[C@H](NC(=O)c2ccc(Cl)c(F)c2)C1 ZINC001008647003 651151700 /nfs/dbraw/zinc/15/17/00/651151700.db2.gz SMWAJQBDTGVZKC-LBPRGKRZSA-N 0 1 296.773 2.859 20 30 CFEDMN C=CCN1CCC[C@H](NC(=O)[C@@H]2CCc3ccccc3C2)C1 ZINC001008665228 651151833 /nfs/dbraw/zinc/15/18/33/651151833.db2.gz LFKHTEQVDKIEEP-MSOLQXFVSA-N 0 1 298.430 2.558 20 30 CFEDMN C=CCN1CCC[C@H](NC(=O)c2ccc3cc[nH]c3c2)C1 ZINC001008682404 651152491 /nfs/dbraw/zinc/15/24/91/651152491.db2.gz WCBJBJWIYQIODK-HNNXBMFYSA-N 0 1 283.375 2.548 20 30 CFEDMN C=C(C)CN1CCC[C@H](NC(=O)c2cc3ccccn3c2)C1 ZINC001008749415 651152903 /nfs/dbraw/zinc/15/29/03/651152903.db2.gz NBEQFPCRRVTORY-INIZCTEOSA-N 0 1 297.402 2.710 20 30 CFEDMN C=C(C)CN1CCC[C@@H](NC(=O)c2cc3ccccn3c2)C1 ZINC001008749417 651152994 /nfs/dbraw/zinc/15/29/94/651152994.db2.gz NBEQFPCRRVTORY-MRXNPFEDSA-N 0 1 297.402 2.710 20 30 CFEDMN C=CCN1CCC[C@@H](NC(=O)[C@@H]2C[C@H]2c2ccccc2C)C1 ZINC001008834836 651154437 /nfs/dbraw/zinc/15/44/37/651154437.db2.gz OELBRLLDRMVUJF-BPQIPLTHSA-N 0 1 298.430 2.865 20 30 CFEDMN C=C(C)CN1CCC[C@@H](NC(=O)c2ncccc2Cl)C1 ZINC001009281657 651157572 /nfs/dbraw/zinc/15/75/72/651157572.db2.gz KUNGWFDSOQIBNU-GFCCVEGCSA-N 0 1 293.798 2.505 20 30 CFEDMN C#CCCN1CCC[C@@H](NC(=O)c2ccccc2Cl)C1 ZINC001009307708 651158560 /nfs/dbraw/zinc/15/85/60/651158560.db2.gz GAQKHHNVZYIAJT-CYBMUJFWSA-N 0 1 290.794 2.558 20 30 CFEDMN C=CCN1CCC[C@H](NC(=O)C2CCC(C)(C)CC2)C1 ZINC001009654096 651163135 /nfs/dbraw/zinc/16/31/35/651163135.db2.gz AWEGHDYOQCGKBF-HNNXBMFYSA-N 0 1 278.440 2.969 20 30 CFEDMN C=CCN1CC[C@H](NC(=O)c2cc(F)c3ccccc3c2)C1 ZINC001014658074 651190225 /nfs/dbraw/zinc/19/02/25/651190225.db2.gz HJGIWBAYKURIOR-HNNXBMFYSA-N 0 1 298.361 2.969 20 30 CFEDMN C=CCN1CC[C@@H](NC(=O)c2ccc(C3CCC3)cc2)C1 ZINC001014642720 651190431 /nfs/dbraw/zinc/19/04/31/651190431.db2.gz GBNKTHLXBIKPOT-QGZVFWFLSA-N 0 1 284.403 2.944 20 30 CFEDMN C=CCN1CC[C@H](NC(=O)C2CCc3ccccc3CC2)C1 ZINC001015035064 651195513 /nfs/dbraw/zinc/19/55/13/651195513.db2.gz YMTIQEWPGVJTDC-SFHVURJKSA-N 0 1 298.430 2.558 20 30 CFEDMN C=C(C)CN1CC[C@@H](NC(=O)c2c(C)oc(C)c2C)C1 ZINC001015176018 651197688 /nfs/dbraw/zinc/19/76/88/651197688.db2.gz KIZKBZRFENSHDH-CQSZACIVSA-N 0 1 276.380 2.585 20 30 CFEDMN C=CCN1CC[C@@H](NC(=O)c2cc(C)c(Cl)cc2C)C1 ZINC001015487617 651201601 /nfs/dbraw/zinc/20/16/01/651201601.db2.gz MZJCVCYKNBAPRM-CYBMUJFWSA-N 0 1 292.810 2.947 20 30 CFEDMN C=C(C)CN1CC[C@H](NC(=O)c2c(C)cc(F)cc2C)C1 ZINC001015486464 651201613 /nfs/dbraw/zinc/20/16/13/651201613.db2.gz FWOCLNRKZOJBGE-HNNXBMFYSA-N 0 1 290.382 2.823 20 30 CFEDMN C=CCN1CC[C@@H](NC(=O)c2ccc(Cl)cc2C)C1 ZINC001015647948 651207177 /nfs/dbraw/zinc/20/71/77/651207177.db2.gz ABTSESMQIZGDDE-CYBMUJFWSA-N 0 1 278.783 2.639 20 30 CFEDMN C=C(C)CN1CC[C@@H](NC(=O)c2ccc(Cl)c(F)c2)C1 ZINC001015747129 651211750 /nfs/dbraw/zinc/21/17/50/651211750.db2.gz WZLAICIAAQOZHW-GFCCVEGCSA-N 0 1 296.773 2.859 20 30 CFEDMN C=CCN1CC[C@H](NC(=O)[C@H]2CC[C@H](C(C)C)CC2)C1 ZINC001015902018 651217057 /nfs/dbraw/zinc/21/70/57/651217057.db2.gz DBNGROCXVSLUBK-JYJNAYRXSA-N 0 1 278.440 2.825 20 30 CFEDMN C=CCN1CC[C@@H](NC(=O)[C@@]2(c3ccccc3)CC2(C)C)C1 ZINC001015893091 651217135 /nfs/dbraw/zinc/21/71/35/651217135.db2.gz IGGZQBJBLXNBJX-APWZRJJASA-N 0 1 298.430 2.731 20 30 CFEDMN C=CCN1CC[C@H](NC(=O)C(C)(C)c2ccc(C)cc2)C1 ZINC001016020430 651221159 /nfs/dbraw/zinc/22/11/59/651221159.db2.gz TZWDACGCFRHLSG-INIZCTEOSA-N 0 1 286.419 2.649 20 30 CFEDMN C=CCN1CC[C@H](NC(=O)c2cccc(C(F)(F)F)c2)C1 ZINC001016067269 651222753 /nfs/dbraw/zinc/22/27/53/651222753.db2.gz DYJACKJXSAKLCB-ZDUSSCGKSA-N 0 1 298.308 2.696 20 30 CFEDMN C=CCN1CC[C@@H](NC(=O)C[C@H]2CCCc3ccccc32)C1 ZINC001016059919 651222991 /nfs/dbraw/zinc/22/29/91/651222991.db2.gz WYPCHNZKEDRAFJ-IAGOWNOFSA-N 0 1 298.430 2.873 20 30 CFEDMN C=C(C)CN1CC[C@H](NC(=O)c2ccc3ccccc3n2)C1 ZINC001016067657 651223086 /nfs/dbraw/zinc/22/30/86/651223086.db2.gz GUGHIYPCYZAJEK-HNNXBMFYSA-N 0 1 295.386 2.615 20 30 CFEDMN C#CCCN1CC[C@H](NC(=O)c2ccsc2C(F)F)C1 ZINC001016121146 651225157 /nfs/dbraw/zinc/22/51/57/651225157.db2.gz AHWQXEUVQHHPFP-JTQLQIEISA-N 0 1 298.358 2.513 20 30 CFEDMN C=CCN1CC[C@@H](NC(=O)c2c(C)cc(C)cc2C)C1 ZINC001016185221 651227383 /nfs/dbraw/zinc/22/73/83/651227383.db2.gz BQRNHIYCALDLGI-OAHLLOKOSA-N 0 1 272.392 2.602 20 30 CFEDMN C=CCN1CC[C@H](NC(=O)c2ccc3c(c2)CCCC3)C1 ZINC001016172346 651227479 /nfs/dbraw/zinc/22/74/79/651227479.db2.gz CGVSOYYZHFPORD-KRWDZBQOSA-N 0 1 284.403 2.556 20 30 CFEDMN C=CCN1CC[C@@H](NC(=O)c2ccc(F)c3occc32)C1 ZINC001016296912 651229639 /nfs/dbraw/zinc/22/96/39/651229639.db2.gz IXETZTKGTAEFEM-LLVKDONJSA-N 0 1 288.322 2.562 20 30 CFEDMN C#CCCN1CC[C@@H](NC(=O)c2sccc2C(C)C)C1 ZINC001016320082 651229745 /nfs/dbraw/zinc/22/97/45/651229745.db2.gz HULJFRYEFFBPKU-CYBMUJFWSA-N 0 1 290.432 2.699 20 30 CFEDMN C#CCCN1CC[C@@H](NC(=O)c2cc3c(cccc3C)o2)C1 ZINC001016369711 651232074 /nfs/dbraw/zinc/23/20/74/651232074.db2.gz VSTUEQSQTMOFIA-CQSZACIVSA-N 0 1 296.370 2.569 20 30 CFEDMN C=CCN1CC[C@@H](NC(=O)CC2CCC(C)(C)CC2)C1 ZINC001016435902 651233634 /nfs/dbraw/zinc/23/36/34/651233634.db2.gz HYHZWYAPPHOVRD-OAHLLOKOSA-N 0 1 278.440 2.969 20 30 CFEDMN C=CCN1CC[C@@H](NC(=O)c2ccc(C(C)(F)F)cc2)C1 ZINC001016442004 651233839 /nfs/dbraw/zinc/23/38/39/651233839.db2.gz YCBVNTBRVCHSRW-CQSZACIVSA-N 0 1 294.345 2.788 20 30 CFEDMN C=C(Cl)CN1CCC2(C[C@@H]2NC(=O)C=C2CCC2)CC1 ZINC001016562971 651237316 /nfs/dbraw/zinc/23/73/16/651237316.db2.gz ALEHPKPHVCYMKU-AWEZNQCLSA-N 0 1 294.826 2.820 20 30 CFEDMN C=C(Cl)CN1CCC2(C[C@@H]2NC(=O)[C@H]2CC2(C)C)CC1 ZINC001016577740 651238039 /nfs/dbraw/zinc/23/80/39/651238039.db2.gz YUEHIEJDRGRUIY-OLZOCXBDSA-N 0 1 296.842 2.756 20 30 CFEDMN C=C(Cl)CN1CCC2(C[C@@H]2NC(=O)[C@@H]2CC23CC3)CC1 ZINC001016848851 651241853 /nfs/dbraw/zinc/24/18/53/651241853.db2.gz ZZFXDQHOLXXAAY-STQMWFEESA-N 0 1 294.826 2.510 20 30 CFEDMN C#CCCN1C[C@H]2CC[C@@H](C1)N2C(=O)CC1=CCCCC1 ZINC001017415012 651251538 /nfs/dbraw/zinc/25/15/38/651251538.db2.gz XDYJRFACHGHHKF-CALCHBBNSA-N 0 1 286.419 2.575 20 30 CFEDMN C=CCCN1C[C@H]2CC[C@@H](C1)N2C(=O)c1c(C)cncc1C ZINC001017732761 651256635 /nfs/dbraw/zinc/25/66/35/651256635.db2.gz BSSLIFXABFTDIA-IYBDPMFKSA-N 0 1 299.418 2.563 20 30 CFEDMN C#CCCN1C[C@H]2CC[C@@H](C1)N2C(=O)c1cc(C)ccc1C ZINC001018214120 651266950 /nfs/dbraw/zinc/26/69/50/651266950.db2.gz ZRNXYLJOUNOPGC-CALCHBBNSA-N 0 1 296.414 2.616 20 30 CFEDMN C=C(Cl)CN[C@H]1CCN(C(=O)CC2CCCC2)C1 ZINC001018441564 651271371 /nfs/dbraw/zinc/27/13/71/651271371.db2.gz NPIJLJVACGVNNM-ZDUSSCGKSA-N 0 1 270.804 2.510 20 30 CFEDMN C=C(Cl)CN[C@H]1CCN(C(=O)C[C@@H]2C=CCCC2)C1 ZINC001019027215 651278467 /nfs/dbraw/zinc/27/84/67/651278467.db2.gz FGXBZJHKMZNSPV-KGLIPLIRSA-N 0 1 282.815 2.676 20 30 CFEDMN C=C(Cl)CN[C@H]1CCN(C(=O)c2ccc(CC)s2)C1 ZINC001019106362 651279552 /nfs/dbraw/zinc/27/95/52/651279552.db2.gz LYPSHMWQHIDZKY-NSHDSACASA-N 0 1 298.839 2.867 20 30 CFEDMN C=C(Cl)CN[C@H]1CCN(C(=O)C2(C3CCC3)CCC2)C1 ZINC001019199343 651280517 /nfs/dbraw/zinc/28/05/17/651280517.db2.gz OCESJZSJXSVWHY-AWEZNQCLSA-N 0 1 296.842 2.900 20 30 CFEDMN C=C(Cl)CN[C@H]1CCN(C(=O)c2cc(F)ccc2C)C1 ZINC001019207473 651280758 /nfs/dbraw/zinc/28/07/58/651280758.db2.gz MCWKBOYNYQPPSY-ZDUSSCGKSA-N 0 1 296.773 2.691 20 30 CFEDMN C=C(Cl)CN[C@H]1CCN(C(=O)c2cc(C)ccc2C)C1 ZINC001019703495 651289966 /nfs/dbraw/zinc/28/99/66/651289966.db2.gz ZIXNHZUHXJLUMI-AWEZNQCLSA-N 0 1 292.810 2.860 20 30 CFEDMN C=C(Cl)CN[C@H]1CCN(C(=O)c2sccc2CC)C1 ZINC001019809639 651291851 /nfs/dbraw/zinc/29/18/51/651291851.db2.gz NJYHFVOORNXSPF-LBPRGKRZSA-N 0 1 298.839 2.867 20 30 CFEDMN C=C(C)CN1CC[C@H]1CN(C)C(=O)C1CCC=CCC1 ZINC001085975866 782225911 /nfs/dbraw/zinc/22/59/11/782225911.db2.gz HRFRSUVWAFXTIR-INIZCTEOSA-N 0 1 276.424 2.842 20 30 CFEDMN CN1CC=C(c2cc(C(F)(F)F)cc(C#N)n2)CC1 ZINC001241308229 782285484 /nfs/dbraw/zinc/28/54/84/782285484.db2.gz ILMVWJVCOPVCMG-UHFFFAOYSA-N 0 1 267.254 2.691 20 30 CFEDMN CC#CCN1CC([C@@H](C)NC(=O)[C@@H](CC)CCCC)C1 ZINC001282690507 770091213 /nfs/dbraw/zinc/09/12/13/770091213.db2.gz UBYQRARAOODYMR-CABCVRRESA-N 0 1 278.440 2.663 20 30 CFEDMN CCC[C@@H](C)CC(=O)NCCNCc1ccccc1C#N ZINC001124588159 779693952 /nfs/dbraw/zinc/69/39/52/779693952.db2.gz QECLBPUVXDULGB-CQSZACIVSA-N 0 1 287.407 2.590 20 30 CFEDMN C=C(C)CN1CC[C@@H](N(CC)C(=O)c2csc(C)n2)C1 ZINC001033935418 780832781 /nfs/dbraw/zinc/83/27/81/780832781.db2.gz FVEGMXLXRSLPSP-CYBMUJFWSA-N 0 1 293.436 2.564 20 30 CFEDMN C#CCN1CC[C@H](N(CC)C(=O)[C@@H]2CCCCC2(C)C)C1 ZINC001034050415 780867874 /nfs/dbraw/zinc/86/78/74/780867874.db2.gz LTGSZXBIUSPONA-HOTGVXAUSA-N 0 1 290.451 2.759 20 30 CFEDMN C#CC[C@@H](CC)Oc1[nH]c(=O)nc2cc(F)ccc21 ZINC001230882106 781877086 /nfs/dbraw/zinc/87/70/86/781877086.db2.gz DLHFURXUZCXYDJ-SNVBAGLBSA-N 0 1 260.268 2.655 20 30 CFEDMN C=CCN1CC[C@@H](NC(=O)C/C=C/Cc2ccccc2)C1 ZINC001266325160 769965986 /nfs/dbraw/zinc/96/59/86/769965986.db2.gz KWHKYMKPLAPDMB-DKRLNXSXSA-N 0 1 284.403 2.552 20 30 CFEDMN C#CCCN1CC[C@@H]1CNC(=O)c1ccccc1CC(C)C ZINC001039061676 769995064 /nfs/dbraw/zinc/99/50/64/769995064.db2.gz SGXNXDDFVCDCAY-QGZVFWFLSA-N 0 1 298.430 2.713 20 30 CFEDMN CC#CCN(C)CCNC(=O)[C@@H](C)CCC(C)(C)C ZINC001266347282 769996241 /nfs/dbraw/zinc/99/62/41/769996241.db2.gz KQMKWSGOKNRJMI-AWEZNQCLSA-N 0 1 266.429 2.520 20 30 CFEDMN CC#CCN(CC)CCNC(=O)C1(C2CCCCC2)CC1 ZINC001266432384 770137896 /nfs/dbraw/zinc/13/78/96/770137896.db2.gz WPAUFOYJKCZICH-UHFFFAOYSA-N 0 1 290.451 2.808 20 30 CFEDMN C#CCN(CC)CCNC(=O)CC[C@H]1CCc2ccccc21 ZINC001266437801 770148016 /nfs/dbraw/zinc/14/80/16/770148016.db2.gz MLHCVMGMRWJKSO-QGZVFWFLSA-N 0 1 298.430 2.568 20 30 CFEDMN COc1cc(C#N)cc(Nc2cnc(N)cc2C)c1 ZINC001209971222 770177486 /nfs/dbraw/zinc/17/74/86/770177486.db2.gz UFKADDDYQQOBQD-UHFFFAOYSA-N 0 1 254.293 2.596 20 30 CFEDMN N#C[C@@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccc(O)cc1F ZINC001140128995 770185136 /nfs/dbraw/zinc/18/51/36/770185136.db2.gz NKQXWWFMPVKCDT-UOJUARBOSA-N 0 1 260.312 2.798 20 30 CFEDMN N#C[C@@H]1C[C@H]2CC[C@@H](C1)N2Cc1ccc(O)cc1F ZINC001140128995 770185142 /nfs/dbraw/zinc/18/51/42/770185142.db2.gz NKQXWWFMPVKCDT-UOJUARBOSA-N 0 1 260.312 2.798 20 30 CFEDMN N#Cc1cc(Nc2cnc(C(F)(F)F)nc2)c(O)cc1F ZINC001210675047 770349569 /nfs/dbraw/zinc/34/95/69/770349569.db2.gz YIKDTGXQPMXUBG-UHFFFAOYSA-N 0 1 298.199 2.955 20 30 CFEDMN Cc1ccc2c(c1)CN(Cc1cc(C#N)n(C)c1)CC2 ZINC001207102930 770430571 /nfs/dbraw/zinc/43/05/71/770430571.db2.gz JOEJDCVPUDWHRR-UHFFFAOYSA-N 0 1 265.360 2.764 20 30 CFEDMN COc1cc(CN2CCC(S)CC2)ccc1F ZINC001204560145 770567449 /nfs/dbraw/zinc/56/74/49/770567449.db2.gz XRFNXXAACMZITN-UHFFFAOYSA-N 0 1 255.358 2.729 20 30 CFEDMN C=CCN1CCCC[C@@H]1CNC(=O)[C@H](C)c1ccccc1 ZINC001266855629 770680936 /nfs/dbraw/zinc/68/09/36/770680936.db2.gz DLNFIJKPYIUJIB-NVXWUHKLSA-N 0 1 286.419 2.947 20 30 CFEDMN C=CC(C)(C)C(=O)NC[C@H](C)NCc1cccc(Cl)n1 ZINC001266963038 770771770 /nfs/dbraw/zinc/77/17/70/770771770.db2.gz YFXOILIIIPLARG-NSHDSACASA-N 0 1 295.814 2.542 20 30 CFEDMN C=CCN1CCCO[C@@H](CNC(=O)[C@H](CC)CCCC)C1 ZINC001149262339 770823044 /nfs/dbraw/zinc/82/30/44/770823044.db2.gz FSPWEXNQMIZEOF-CVEARBPZSA-N 0 1 296.455 2.596 20 30 CFEDMN O=C(/C=C\c1ccc(F)nc1)c1ccc(O)c(F)c1 ZINC000588523889 770930361 /nfs/dbraw/zinc/93/03/61/770930361.db2.gz FJNHQVMLDFKELM-RJRFIUFISA-N 0 1 261.227 2.962 20 30 CFEDMN Cn1ncc(Cl)c1/C=C\C(=O)c1cc(F)ccc1O ZINC000588535227 770951142 /nfs/dbraw/zinc/95/11/42/770951142.db2.gz WUCGFCPIKNGOMI-HYXAFXHYSA-N 0 1 280.686 2.814 20 30 CFEDMN Cc1nc2ccc(NCc3ccccc3C#N)nc2[nH]1 ZINC001167635241 773203791 /nfs/dbraw/zinc/20/37/91/773203791.db2.gz KIEXGMRYWOWJFG-UHFFFAOYSA-N 0 1 263.304 2.750 20 30 CFEDMN CC#CCN(CC)CCNC(=O)c1ccc(CCC)cc1 ZINC001267249500 775098786 /nfs/dbraw/zinc/09/87/86/775098786.db2.gz XPFMFTDOTDVGNO-UHFFFAOYSA-N 0 1 286.419 2.714 20 30 CFEDMN C=C1O[C@H](C)C(=O)C1OCCCCNC(=O)OC(C)(C)C ZINC001224513912 775206746 /nfs/dbraw/zinc/20/67/46/775206746.db2.gz HWTOLLWAEXYLQF-SNVBAGLBSA-N 0 1 299.367 2.527 20 30 CFEDMN C#CCCN1CC[C@@H]1CNC(=O)C1(CC=C)CCCCC1 ZINC001276977643 775212134 /nfs/dbraw/zinc/21/21/34/775212134.db2.gz JCVGCQFHVLRGPA-MRXNPFEDSA-N 0 1 288.435 2.727 20 30 CFEDMN C#CCN[C@H](CNC(=O)C[C@@H](C)CC)c1ccccc1 ZINC001267358133 775245262 /nfs/dbraw/zinc/24/52/62/775245262.db2.gz XFLWVGQHFSXLMG-GOEBONIOSA-N 0 1 272.392 2.503 20 30 CFEDMN C#CCN[C@H](CNC(=O)[C@]1(C)CC=CCC1)c1ccccc1 ZINC001267362525 775253693 /nfs/dbraw/zinc/25/36/93/775253693.db2.gz RYMJWCOPTDWBOC-IEBWSBKVSA-N 0 1 296.414 2.813 20 30 CFEDMN C=CC(C)(C)CC(=O)N(C)CCNCc1ncccc1C ZINC001267378493 775285766 /nfs/dbraw/zinc/28/57/66/775285766.db2.gz UVXUIXDDFASROF-UHFFFAOYSA-N 0 1 289.423 2.540 20 30 CFEDMN C=C1O[C@@H](C)C(=O)C1OCCCCO[C@H]1CCCCO1 ZINC001224908789 775305049 /nfs/dbraw/zinc/30/50/49/775305049.db2.gz QJDQDUMTPJMXKL-AAEUAGOBSA-N 0 1 284.352 2.546 20 30 CFEDMN C=C(Cl)CNCCN(C)C(=O)c1occc1C(C)C ZINC001267418451 775316111 /nfs/dbraw/zinc/31/61/11/775316111.db2.gz AILSMVJIUGGBCH-UHFFFAOYSA-N 0 1 284.787 2.817 20 30 CFEDMN C=CCN1CC[C@H](N(CCC)C(=O)c2cc(C)sn2)C1 ZINC001267460520 775341478 /nfs/dbraw/zinc/34/14/78/775341478.db2.gz WIXYWDQMUSJODT-ZDUSSCGKSA-N 0 1 293.436 2.564 20 30 CFEDMN C#CCN1C[C@@H]2CCC[C@]2(NC(=O)[C@@H](CC)CC(C)C)C1 ZINC001111930548 775373695 /nfs/dbraw/zinc/37/36/95/775373695.db2.gz ZBPCZLXNVSRRGO-BQFCYCMXSA-N 0 1 290.451 2.663 20 30 CFEDMN C#CCN1CC[C@@H](N(CCC)C(=O)C[C@@H]2CC=CCC2)C1 ZINC001267475699 775373865 /nfs/dbraw/zinc/37/38/65/775373865.db2.gz PXFUCEUUXKLTRL-IAGOWNOFSA-N 0 1 288.435 2.679 20 30 CFEDMN C[C@H](c1ccccn1)N1CC[C@@H](Oc2ccc(C#N)nc2)C1 ZINC001225500481 775482885 /nfs/dbraw/zinc/48/28/85/775482885.db2.gz WBUVMTCBISAFKM-CZUORRHYSA-N 0 1 294.358 2.563 20 30 CFEDMN CC[C@@H](C)O[C@@H]1CCN(Cc2ccccc2C#N)C1 ZINC001204623806 775523618 /nfs/dbraw/zinc/52/36/18/775523618.db2.gz ZAZFJLULDFZBJO-CZUORRHYSA-N 0 1 258.365 2.948 20 30 CFEDMN CC#CCN1CCC[C@H]1[C@@H]1CCCCN1C(=O)C(C)(F)F ZINC001025196051 775566077 /nfs/dbraw/zinc/56/60/77/775566077.db2.gz QPOUGFNPGORNCS-KBPBESRZSA-N 0 1 298.377 2.510 20 30 CFEDMN C=C1O[C@@H](C)C(=O)C1Oc1ccc(C#N)cc1Cl ZINC001225727188 775575841 /nfs/dbraw/zinc/57/58/41/775575841.db2.gz MJVJDFYQGJNUHH-ZETCQYMHSA-N 0 1 263.680 2.810 20 30 CFEDMN CCC1=C(Oc2cc(C(C)=O)ccc2O)C(=O)[C@H](C)O1 ZINC001225998852 775663788 /nfs/dbraw/zinc/66/37/88/775663788.db2.gz QGAMOPQTJBWVRV-VIFPVBQESA-N 0 1 276.288 2.583 20 30 CFEDMN O/N=C/c1cccc(O[C@@H]2CC(F)(F)C2(F)F)c1 ZINC001226117108 775705685 /nfs/dbraw/zinc/70/56/85/775705685.db2.gz YBNWOHAOSCRMAQ-JPEBENEDSA-N 0 1 263.190 2.916 20 30 CFEDMN CC[C@H](C)C(=O)NC1CCN(Cc2ccc(C#N)cc2)CC1 ZINC001226130324 775710905 /nfs/dbraw/zinc/71/09/05/775710905.db2.gz ZUXYBVXHHAGJOJ-AWEZNQCLSA-N 0 1 299.418 2.685 20 30 CFEDMN C=C[C@]1(C)CC[C@H](C(C)(C)Oc2nc(C)cc(=O)[nH]2)O1 ZINC001226155889 775718492 /nfs/dbraw/zinc/71/84/92/775718492.db2.gz HNLSFSSBZCNHIM-IAQYHMDHSA-N 0 1 278.352 2.772 20 30 CFEDMN C=CCCCN1CC(NC(=O)C[C@H](C)CCC)C1 ZINC001267642276 775730780 /nfs/dbraw/zinc/73/07/80/775730780.db2.gz AYZABRSKDQPVLO-CYBMUJFWSA-N 0 1 252.402 2.579 20 30 CFEDMN CC(C)C#CC(=O)NC1CN(CC2CCC(C)(C)CC2)C1 ZINC001267643930 775732237 /nfs/dbraw/zinc/73/22/37/775732237.db2.gz AGQVZAVSXVJKAX-UHFFFAOYSA-N 0 1 290.451 2.663 20 30 CFEDMN C=C(C)C(C)(C)C(=O)NC1CN(CC2CC(C)(C)C2)C1 ZINC001267655493 775752022 /nfs/dbraw/zinc/75/20/22/775752022.db2.gz OWJWWOYADVPRFL-UHFFFAOYSA-N 0 1 278.440 2.825 20 30 CFEDMN CCC[C@H](C#Cc1ccccc1)Oc1nccc(=O)[nH]1 ZINC001226327047 775780849 /nfs/dbraw/zinc/78/08/49/775780849.db2.gz PUUHRILHZMORGU-CQSZACIVSA-N 0 1 268.316 2.781 20 30 CFEDMN C=CCCC(=O)N1C[C@@H]2C[C@H]1CN2Cc1ccccc1C ZINC001267704628 775792686 /nfs/dbraw/zinc/79/26/86/775792686.db2.gz VIFNUTPDVKBCHQ-IRXDYDNUSA-N 0 1 284.403 2.746 20 30 CFEDMN C=CCC1(C(=O)N2C[C@@H]3C[C@H]2CN3CC[C@@H](C)F)CCC1 ZINC001267712506 775801325 /nfs/dbraw/zinc/80/13/25/775801325.db2.gz QSOIEVWQYYASGL-ILXRZTDVSA-N 0 1 294.414 2.766 20 30 CFEDMN C#C[C@H]1CCC[C@H]1Oc1[nH]c(=O)nc2ccc(F)cc21 ZINC001226408590 775809074 /nfs/dbraw/zinc/80/90/74/775809074.db2.gz LTVBKTIKOOJOHF-TVQRCGJNSA-N 0 1 272.279 2.655 20 30 CFEDMN CCC#C[C@H](C)Oc1[nH]c(=O)nc2nc(Cl)ccc21 ZINC001226556360 775873355 /nfs/dbraw/zinc/87/33/55/775873355.db2.gz LWJXXUJTJSMMTA-QMMMGPOBSA-N 0 1 277.711 2.565 20 30 CFEDMN C=CC[C@H](C=C)Oc1ncnc2[nH]nc(Br)c21 ZINC001226667976 775912300 /nfs/dbraw/zinc/91/23/00/775912300.db2.gz CUWFHWMSNNVWLB-ZETCQYMHSA-N 0 1 295.140 2.625 20 30 CFEDMN C=CCCCCC[N@@H+]1CC[C@@H]2C[C@@]21C(=O)NCC(F)F ZINC001277150562 775938286 /nfs/dbraw/zinc/93/82/86/775938286.db2.gz AHAWBEJEXGQPOA-DOMZBBRYSA-N 0 1 286.366 2.579 20 30 CFEDMN C=CCCCCCN1CC[C@@H]2C[C@@]21C(=O)NCC(F)F ZINC001277150562 775938296 /nfs/dbraw/zinc/93/82/96/775938296.db2.gz AHAWBEJEXGQPOA-DOMZBBRYSA-N 0 1 286.366 2.579 20 30 CFEDMN C=CCCC(=O)NC[C@H](CC)NCc1c(F)cccc1F ZINC001267799597 775940959 /nfs/dbraw/zinc/94/09/59/775940959.db2.gz ZESYIDWFNHYOTI-LBPRGKRZSA-N 0 1 296.361 2.915 20 30 CFEDMN C=C[C@@H](CCC)Oc1n[nH]c(=O)cc1Br ZINC001226850831 775990364 /nfs/dbraw/zinc/99/03/64/775990364.db2.gz WZAVIYXIFOUNNF-ZETCQYMHSA-N 0 1 273.130 2.678 20 30 CFEDMN C#CCSc1nc(-c2ccccc2Br)n[nH]1 ZINC000675047439 775991258 /nfs/dbraw/zinc/99/12/58/775991258.db2.gz QMDIPVMBRZCLQU-UHFFFAOYSA-N 0 1 294.177 2.960 20 30 CFEDMN C[C@H](CC(C)(C)C#N)NCc1c(Br)cnn1C ZINC000695793152 776013358 /nfs/dbraw/zinc/01/33/58/776013358.db2.gz ZPKJZTGAXIFCEU-SECBINFHSA-N 0 1 299.216 2.601 20 30 CFEDMN CCCOC[C@H](C)Oc1nc2ccc(C#N)cc2[nH]1 ZINC001227216444 776142147 /nfs/dbraw/zinc/14/21/47/776142147.db2.gz SJRFQAWZGAWVHA-JTQLQIEISA-N 0 1 259.309 2.628 20 30 CFEDMN C=CC[C@@H](C)Oc1[nH]c(=O)nc2cc(OC)c(OC)cc21 ZINC001227276097 776167693 /nfs/dbraw/zinc/16/76/93/776167693.db2.gz LNHKSJWHIIFRSI-SECBINFHSA-N 0 1 290.319 2.696 20 30 CFEDMN C[C@@H](Oc1[nH]c(=O)nc2[nH]ccc21)c1ccccc1C#N ZINC001227275225 776167855 /nfs/dbraw/zinc/16/78/55/776167855.db2.gz WKKDYQIUIQTABK-SECBINFHSA-N 0 1 280.287 2.675 20 30 CFEDMN C=C[C@]1(C)CC[C@H](C(C)(C)Oc2ncnc3nc[nH]c32)O1 ZINC001227532521 776221593 /nfs/dbraw/zinc/22/15/93/776221593.db2.gz XMILOJKCAUXJII-MEBBXXQBSA-N 0 1 288.351 2.634 20 30 CFEDMN C=CCC[C@H](C)N1CCO[C@@H](CNC(=O)/C(C)=C/CC)C1 ZINC001268018952 776222088 /nfs/dbraw/zinc/22/20/88/776222088.db2.gz WELCMAQPRXNBFN-XFCDKJKVSA-N 0 1 294.439 2.514 20 30 CFEDMN CCC[C@H](C#Cc1ccccc1)Oc1ncnc2nc[nH]c21 ZINC001227534185 776222658 /nfs/dbraw/zinc/22/26/58/776222658.db2.gz KWIGZDUWEUTZBK-CQSZACIVSA-N 0 1 292.342 2.952 20 30 CFEDMN C=C(C)CCC(=O)NC1CCN(Cc2ccccn2)CC1 ZINC001227588096 776237311 /nfs/dbraw/zinc/23/73/11/776237311.db2.gz FOZZBJQYQGJZPR-UHFFFAOYSA-N 0 1 287.407 2.519 20 30 CFEDMN C=C(C)[C@@H]1CC[C@H](C)C[C@H]1Oc1nc(=O)[nH]c2c1COC2 ZINC001227686685 776257287 /nfs/dbraw/zinc/25/72/87/776257287.db2.gz UWWPHURYZOJURZ-COPLHBTASA-N 0 1 290.363 2.972 20 30 CFEDMN N#CC[C@@H]1CCCN(C[C@H]2CC[C@@H](C(F)(F)F)O2)C1 ZINC000721383280 776258308 /nfs/dbraw/zinc/25/83/08/776258308.db2.gz ZAQQGPJJMLEKMV-TUAOUCFPSA-N 0 1 276.302 2.722 20 30 CFEDMN C#C[C@@H](Oc1nc(=O)[nH]c2c1COC2)[C@H](CC)CCCC ZINC001227690660 776258932 /nfs/dbraw/zinc/25/89/32/776258932.db2.gz NRHKVYYORYRNNP-BXUZGUMPSA-N 0 1 290.363 2.809 20 30 CFEDMN C=CC[C@@H](Oc1c[nH]c(C(=O)OC)cc1=O)c1ccccc1 ZINC001227785535 776288849 /nfs/dbraw/zinc/28/88/49/776288849.db2.gz IBOAUOMIZPRLQX-OAHLLOKOSA-N 0 1 299.326 2.858 20 30 CFEDMN C=C(C)C[C@H](Oc1[nH]c(=O)nc2cc[nH]c21)C(=C)C ZINC001227807717 776297179 /nfs/dbraw/zinc/29/71/79/776297179.db2.gz BBAWDXRCZWBFCF-NSHDSACASA-N 0 1 259.309 2.953 20 30 CFEDMN C=CCN1CC[C@H](c2ccccc2)[C@H](NC(=O)C(C)C)C1 ZINC001087420923 776323483 /nfs/dbraw/zinc/32/34/83/776323483.db2.gz CNOLLHHXAQPZSY-IAGOWNOFSA-N 0 1 286.419 2.803 20 30 CFEDMN C[C@@H]1CCCN(Cc2cc(Cl)cc(C#N)c2)[C@@H]1CO ZINC000931503577 776330215 /nfs/dbraw/zinc/33/02/15/776330215.db2.gz YEOAHDFPPOBMBH-IAQYHMDHSA-N 0 1 278.783 2.804 20 30 CFEDMN C=CCc1ccc(OCC[N@@H+]2CC[C@@H](OC)C2)c(OC)c1 ZINC001227926779 776332688 /nfs/dbraw/zinc/33/26/88/776332688.db2.gz KXIHMELVVAMYFB-OAHLLOKOSA-N 0 1 291.391 2.523 20 30 CFEDMN C=C1O[C@H](CC)C(=O)C1Oc1nc(Cl)cc(Cl)n1 ZINC001227944554 776336307 /nfs/dbraw/zinc/33/63/07/776336307.db2.gz CVXTXRLIMSMYML-ZCFIWIBFSA-N 0 1 289.118 2.772 20 30 CFEDMN C=C1O[C@H](CC)C(=O)C1Oc1cnc(F)c(Cl)c1 ZINC001227968956 776343877 /nfs/dbraw/zinc/34/38/77/776343877.db2.gz QHIRXIHQJJSQJD-SECBINFHSA-N 0 1 271.675 2.862 20 30 CFEDMN C#CCN(C)Cc1cc(OC)cc(C(F)(F)F)c1 ZINC001143517874 776350067 /nfs/dbraw/zinc/35/00/67/776350067.db2.gz YJCBWRSPXARZKG-UHFFFAOYSA-N 0 1 257.255 2.779 20 30 CFEDMN C=C(C)C(C)(C)C(=O)N[C@H](C)CCCNCc1ccon1 ZINC001277265283 776380164 /nfs/dbraw/zinc/38/01/64/776380164.db2.gz XLHNMFLSCSSJQU-CYBMUJFWSA-N 0 1 293.411 2.651 20 30 CFEDMN CC#CCN1CCC(NC(=O)CC2(C)CCCCC2)CC1 ZINC001228234488 776428909 /nfs/dbraw/zinc/42/89/09/776428909.db2.gz JFRYJIPHJYVQES-UHFFFAOYSA-N 0 1 290.451 2.951 20 30 CFEDMN C=C(C)CN1CC[C@@H]1CNC(=O)[C@@H]1C[C@H]1c1cccc(C)c1 ZINC001038795832 776456280 /nfs/dbraw/zinc/45/62/80/776456280.db2.gz ICRUZHLGBVKPOM-FGTMMUONSA-N 0 1 298.430 2.865 20 30 CFEDMN C=CCONC(=O)NCc1cc(Cl)cc(Cl)c1O ZINC001228437603 776491939 /nfs/dbraw/zinc/49/19/39/776491939.db2.gz PYETZOWOHSFWJN-UHFFFAOYSA-N 0 1 291.134 2.616 20 30 CFEDMN C=CCN1CCC[C@@H]1CNC(=O)c1ccc2occc2c1 ZINC001027898360 776499646 /nfs/dbraw/zinc/49/96/46/776499646.db2.gz GLLDYPXMUGZFMP-OAHLLOKOSA-N 0 1 284.359 2.813 20 30 CFEDMN CC(C)N1CCC(Oc2cccc3c2C(=O)C=CC3=O)CC1 ZINC001228470679 776500877 /nfs/dbraw/zinc/50/08/77/776500877.db2.gz OMNMMFLLOOZEDD-UHFFFAOYSA-N 0 1 299.370 2.873 20 30 CFEDMN C#CCN1CCC[C@H]1CNC(=O)c1ccccc1C(C)C ZINC001027917881 776510606 /nfs/dbraw/zinc/51/06/06/776510606.db2.gz HFPNXFCZFKIOGV-HNNXBMFYSA-N 0 1 284.403 2.637 20 30 CFEDMN C=C1O[C@H](CC)C(=O)C1Oc1cc(Cl)cnc1F ZINC001228573226 776525928 /nfs/dbraw/zinc/52/59/28/776525928.db2.gz RGNYXXOHTWKDDK-MRVPVSSYSA-N 0 1 271.675 2.862 20 30 CFEDMN C=CCN1CCC[C@@H]1CNC(=O)c1cc(C)c(F)cc1F ZINC001027960679 776527627 /nfs/dbraw/zinc/52/76/27/776527627.db2.gz GJJBNNBRGIRGJK-GFCCVEGCSA-N 0 1 294.345 2.653 20 30 CFEDMN C=CCN1CCC[C@@H]1CNC(=O)c1c(C)oc(C)c1C ZINC001028012005 776556464 /nfs/dbraw/zinc/55/64/64/776556464.db2.gz DSOHWYLEKJKGOL-CQSZACIVSA-N 0 1 276.380 2.585 20 30 CFEDMN CC#CCCCC(=O)NC1CCN(C[C@@H](F)CC)CC1 ZINC001228770129 776604268 /nfs/dbraw/zinc/60/42/68/776604268.db2.gz DVAVBMGZDKBJTB-AWEZNQCLSA-N 0 1 282.403 2.509 20 30 CFEDMN C=CCCCC(=O)NC1CCN(C[C@H](F)CC)CC1 ZINC001228927974 776660575 /nfs/dbraw/zinc/66/05/75/776660575.db2.gz QHJBIFHGIGSIHK-CYBMUJFWSA-N 0 1 270.392 2.671 20 30 CFEDMN C=CCCCC(=O)N[C@@H](C)[C@H](C)NCc1ccc(F)cn1 ZINC001282184674 776711067 /nfs/dbraw/zinc/71/10/67/776711067.db2.gz JMVCHGKZKXRJRK-STQMWFEESA-N 0 1 293.386 2.560 20 30 CFEDMN C[C@H](C[N+](C)(C)C)O/C(=N\[O-])c1ccc(Cl)cc1 ZINC001223593066 776738175 /nfs/dbraw/zinc/73/81/75/776738175.db2.gz HKSJFINBARKNNV-QMLLPTRZSA-O 0 1 271.768 2.587 20 30 CFEDMN C[C@@H](C[N+](C)(C)C)O/C(=N\[O-])c1ccc(Cl)cc1 ZINC001223593069 776738439 /nfs/dbraw/zinc/73/84/39/776738439.db2.gz HKSJFINBARKNNV-ZSNVJIKNSA-O 0 1 271.768 2.587 20 30 CFEDMN C=C(C)CCC(=O)NC1CN(CC2CC3(CCC3)C2)C1 ZINC001268311092 776744003 /nfs/dbraw/zinc/74/40/03/776744003.db2.gz RDQUCOYTECRBCD-UHFFFAOYSA-N 0 1 276.424 2.723 20 30 CFEDMN C=C1O[C@H](C)C(=O)C1Oc1cc(F)c(F)cc1F ZINC001229216670 776753588 /nfs/dbraw/zinc/75/35/88/776753588.db2.gz TVVDSZJGTDUGRU-RXMQYKEDSA-N 0 1 258.195 2.702 20 30 CFEDMN CC[N@H+]1CC[C@@H](Oc2cc(C#N)ccc2Cl)C1 ZINC001229247421 776764068 /nfs/dbraw/zinc/76/40/68/776764068.db2.gz GKTVPWUSEAMUTA-LLVKDONJSA-N 0 1 250.729 2.685 20 30 CFEDMN CCN1CC[C@@H](Oc2cc(C#N)ccc2Cl)C1 ZINC001229247421 776764074 /nfs/dbraw/zinc/76/40/74/776764074.db2.gz GKTVPWUSEAMUTA-LLVKDONJSA-N 0 1 250.729 2.685 20 30 CFEDMN C=CCC(C)(C)C(=O)NC1CCN(C/C=C\Cl)CC1 ZINC001229369405 776792440 /nfs/dbraw/zinc/79/24/40/776792440.db2.gz NIAIWYVIEDMSTN-UITAMQMPSA-N 0 1 284.831 2.922 20 30 CFEDMN CCC#C[C@@H](C)Oc1[nH]c(=O)nc2c(C)cccc21 ZINC001229408569 776804480 /nfs/dbraw/zinc/80/44/80/776804480.db2.gz WNYXNIGTKROBRH-LLVKDONJSA-N 0 1 256.305 2.825 20 30 CFEDMN C#C[C@H]1CCC[C@@H]1Oc1[nH]c(=O)nc2c(C)cccc12 ZINC001229408985 776805151 /nfs/dbraw/zinc/80/51/51/776805151.db2.gz ZAIJMPQGBISGQH-AAEUAGOBSA-N 0 1 268.316 2.825 20 30 CFEDMN C=C(Cl)CNCCN(CC)C(=O)c1cc(C)cc(C)n1 ZINC001268462765 776848875 /nfs/dbraw/zinc/84/88/75/776848875.db2.gz UGAVHPIEYJJYIO-UHFFFAOYSA-N 0 1 295.814 2.503 20 30 CFEDMN C=C(C)CN1CCC[C@@H]1CNC(=O)c1scnc1Cl ZINC001028320987 776854236 /nfs/dbraw/zinc/85/42/36/776854236.db2.gz VTWJSFQXRGYAOT-SNVBAGLBSA-N 0 1 299.827 2.567 20 30 CFEDMN C=C(C)CN1CCC[C@H]1CNC(=O)c1nc(C)c(C)s1 ZINC001028324733 776855090 /nfs/dbraw/zinc/85/50/90/776855090.db2.gz XQBJIKMZMPDKSE-ZDUSSCGKSA-N 0 1 293.436 2.530 20 30 CFEDMN CC#CCN1CCC[C@@H]1CNC(=O)[C@@H]1CCCC(C)(C)C1 ZINC001028339889 776863206 /nfs/dbraw/zinc/86/32/06/776863206.db2.gz FPYNOLKMPBFQKA-HZPDHXFCSA-N 0 1 290.451 2.807 20 30 CFEDMN C[C@@H](CC(=O)N(C)Cc1ccccc1Cl)NCCC#N ZINC000425991175 776875613 /nfs/dbraw/zinc/87/56/13/776875613.db2.gz SJQWDAPVWGKVIE-LBPRGKRZSA-N 0 1 293.798 2.580 20 30 CFEDMN Cc1ccc(NC(=O)C[C@@H](C)NCCC#N)c(Cl)c1 ZINC000426000251 776877797 /nfs/dbraw/zinc/87/77/97/776877797.db2.gz SBSZSRILECHVPS-LLVKDONJSA-N 0 1 279.771 2.869 20 30 CFEDMN COc1ccc2nc(O[C@@H]3CC[C@H](C#N)C3)[nH]c2c1 ZINC001229728102 776881590 /nfs/dbraw/zinc/88/15/90/776881590.db2.gz YYBDFFNFNAUTPC-GXSJLCMTSA-N 0 1 257.293 2.643 20 30 CFEDMN C/C(=N\O)c1ccccc1O[C@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC001229736675 776883792 /nfs/dbraw/zinc/88/37/92/776883792.db2.gz HIVSYZVAEZTUEP-ZMBYNDSLSA-N 0 1 274.364 2.889 20 30 CFEDMN C/C(=N\[O-])c1ccccc1O[C@H]1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC001229736675 776883798 /nfs/dbraw/zinc/88/37/98/776883798.db2.gz HIVSYZVAEZTUEP-ZMBYNDSLSA-N 0 1 274.364 2.889 20 30 CFEDMN C/C(=N\[O-])c1ccccc1O[C@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC001229736675 776883802 /nfs/dbraw/zinc/88/38/02/776883802.db2.gz HIVSYZVAEZTUEP-ZMBYNDSLSA-N 0 1 274.364 2.889 20 30 CFEDMN C=C1O[C@H](C)C(=O)C1Oc1ccc(C(=O)OC)cc1Cl ZINC001229751734 776888035 /nfs/dbraw/zinc/88/80/35/776888035.db2.gz SGOUTJOQHLEMSF-SSDOTTSWSA-N 0 1 296.706 2.725 20 30 CFEDMN C=C(Cl)CNCCN(CC)C(=O)[C@@H](C)c1ccccc1 ZINC001268493409 776894409 /nfs/dbraw/zinc/89/44/09/776894409.db2.gz WIIGRCSTFGPEBS-AWEZNQCLSA-N 0 1 294.826 2.981 20 30 CFEDMN C[C@@H](Oc1ccc(F)cc1CN(C)C)[C@H](C)S ZINC001229859076 776905909 /nfs/dbraw/zinc/90/59/09/776905909.db2.gz WUKDKNOJRYAPDS-ZJUUUORDSA-N 0 1 257.374 2.973 20 30 CFEDMN C=C(C)CCC(=O)NC/C=C/CNCc1cnc(C)s1 ZINC001268544171 776926459 /nfs/dbraw/zinc/92/64/59/776926459.db2.gz AWPKSZMTLQYYGI-SNAWJCMRSA-N 0 1 293.436 2.570 20 30 CFEDMN C[C@H](Oc1nc[nH]c(=O)c1Cl)c1ccccc1C#N ZINC001230016795 776939649 /nfs/dbraw/zinc/93/96/49/776939649.db2.gz IDFZORXVMPKOAY-QMMMGPOBSA-N 0 1 275.695 2.847 20 30 CFEDMN C=CCC1(C(=O)NC2CCN(CC#CC)CC2)CCCC1 ZINC001230475415 776995774 /nfs/dbraw/zinc/99/57/74/776995774.db2.gz JJQAGGQENLLKTM-UHFFFAOYSA-N 0 1 288.435 2.727 20 30 CFEDMN C=CCN1CC[C@@H]1CN(C)C(=O)CCC1CCCC1 ZINC001230671963 777041254 /nfs/dbraw/zinc/04/12/54/777041254.db2.gz ZURNKCYUQAAISX-OAHLLOKOSA-N 0 1 264.413 2.676 20 30 CFEDMN CC#CCN(C)C[C@@H](C)NC(=O)c1cc2cc(C)ccc2[nH]1 ZINC001268741784 777042031 /nfs/dbraw/zinc/04/20/31/777042031.db2.gz YKKULFSDKWNMBE-CQSZACIVSA-N 0 1 297.402 2.550 20 30 CFEDMN CC#CCN(C)C[C@H](C)NC(=O)c1cc(C)c(F)c(C)c1 ZINC001268756594 777045324 /nfs/dbraw/zinc/04/53/24/777045324.db2.gz LRKLPOCPTRVGIJ-AWEZNQCLSA-N 0 1 290.382 2.516 20 30 CFEDMN C#CCN(C)C[C@H](C)NC(=O)C(C)(C)CCCCC ZINC001268756859 777046942 /nfs/dbraw/zinc/04/69/42/777046942.db2.gz OFJKDQUOQZEFOR-AWEZNQCLSA-N 0 1 266.429 2.663 20 30 CFEDMN C=CCN1CC(CNC(=O)C[C@H](C)c2ccccc2C)C1 ZINC001268883584 777069730 /nfs/dbraw/zinc/06/97/30/777069730.db2.gz QLOBPDCGVZDHAW-HNNXBMFYSA-N 0 1 286.419 2.723 20 30 CFEDMN C=CCCCN1CC[C@H]1CN(C)C(=O)c1scnc1C ZINC001230845325 777075200 /nfs/dbraw/zinc/07/52/00/777075200.db2.gz ZBCIPBCEKZIFDK-ZDUSSCGKSA-N 0 1 293.436 2.564 20 30 CFEDMN CCC#C[C@@H](C)Oc1[nH]c(=O)nc2ccc(OC)cc21 ZINC001230861715 777076544 /nfs/dbraw/zinc/07/65/44/777076544.db2.gz GDULCNWHPBDOFN-SNVBAGLBSA-N 0 1 272.304 2.525 20 30 CFEDMN CC[C@@H](C#Cc1ccccc1)Oc1nncc2n[nH]cc21 ZINC001230900538 777087707 /nfs/dbraw/zinc/08/77/07/777087707.db2.gz JEFAFJIBIZJLTF-ZDUSSCGKSA-N 0 1 278.315 2.562 20 30 CFEDMN CCC#C[C@@H](C)Oc1[nH]c(=O)nc2cccc(F)c21 ZINC001231072630 777133336 /nfs/dbraw/zinc/13/33/36/777133336.db2.gz CXUNRKDMTMQXFK-SECBINFHSA-N 0 1 260.268 2.655 20 30 CFEDMN C=CCCCCCN1CC[C@H]1CNC(=O)c1ccco1 ZINC001269188671 777135953 /nfs/dbraw/zinc/13/59/53/777135953.db2.gz ISXBWXIBPMUIKM-AWEZNQCLSA-N 0 1 276.380 2.830 20 30 CFEDMN C=CCCC(=O)NC[C@@H]1CCN1Cc1ccc(C)c(C)c1 ZINC001269206407 777138225 /nfs/dbraw/zinc/13/82/25/777138225.db2.gz WPOANAZJKZWVJX-KRWDZBQOSA-N 0 1 286.419 2.960 20 30 CFEDMN C#CCCN1CC[C@@H]1CNC(=O)[C@H](C)c1ccc(CC)cc1 ZINC001269321098 777169614 /nfs/dbraw/zinc/16/96/14/777169614.db2.gz OVQZAJFXKULZOA-CRAIPNDOSA-N 0 1 298.430 2.566 20 30 CFEDMN C#CCCN1CC[C@@H]1CNC(=O)C1(CC(C)C)CCCC1 ZINC001269321347 777169903 /nfs/dbraw/zinc/16/99/03/777169903.db2.gz TXKRIJAEWMHRMG-MRXNPFEDSA-N 0 1 290.451 2.807 20 30 CFEDMN C#CCN1CC[C@@H](N(CC)C(=O)CC2(C)CCCC2)C1 ZINC001269324828 777171705 /nfs/dbraw/zinc/17/17/05/777171705.db2.gz QFMDIQGAFLGGID-OAHLLOKOSA-N 0 1 276.424 2.513 20 30 CFEDMN C#C[C@@H](CCCC)Oc1nc(C)cc(O)c1[N+](=O)[O-] ZINC001231265051 777180927 /nfs/dbraw/zinc/18/09/27/777180927.db2.gz VZBSMWWELQZMCM-JTQLQIEISA-N 0 1 264.281 2.575 20 30 CFEDMN C=CCOC(=O)c1ccc(OC2C(=C)O[C@H](C)C2=O)cc1 ZINC001231302030 777187720 /nfs/dbraw/zinc/18/77/20/777187720.db2.gz CWORTDVBLRUEDJ-SNVBAGLBSA-N 0 1 288.299 2.628 20 30 CFEDMN C=CC[C@H](C=C)Oc1[nH]c(=O)nc2c(OC)cccc12 ZINC001231347454 777197168 /nfs/dbraw/zinc/19/71/68/777197168.db2.gz LPSQNIPNWUAMSG-JTQLQIEISA-N 0 1 272.304 2.854 20 30 CFEDMN C#CC[C@@H](CC)Oc1[nH]c(=O)nc2c(OC)cccc12 ZINC001231347737 777198196 /nfs/dbraw/zinc/19/81/96/777198196.db2.gz QMBLNFGNMDFJMQ-SNVBAGLBSA-N 0 1 272.304 2.525 20 30 CFEDMN CCCC[N@@H+](CCC#N)Cc1ccc(C(=O)[O-])cc1O ZINC001231450339 777224317 /nfs/dbraw/zinc/22/43/17/777224317.db2.gz DUVDGRKGHFMBSX-UHFFFAOYSA-N 0 1 276.336 2.606 20 30 CFEDMN C#C[C@@H]1CCCN(Cc2ccc(OC(C)C)nc2)C1 ZINC001231536331 777255521 /nfs/dbraw/zinc/25/55/21/777255521.db2.gz QRGKVKWBOGRGQA-CQSZACIVSA-N 0 1 258.365 2.714 20 30 CFEDMN C=C(C)CCC(=O)N1CC[C@H](NCc2ccon2)C[C@@H]1C ZINC001269939894 777277000 /nfs/dbraw/zinc/27/70/00/777277000.db2.gz ZKKWEBFMGFCIHQ-KBPBESRZSA-N 0 1 291.395 2.500 20 30 CFEDMN C#Cc1cccc(CN2CC3(C2)C[C@H](F)CS3)c1 ZINC001231663296 777299785 /nfs/dbraw/zinc/29/97/85/777299785.db2.gz PSFIJUYHPGTGET-AWEZNQCLSA-N 0 1 261.365 2.697 20 30 CFEDMN C[C@H](C#C[Si](C)(C)C)Oc1cccc2[nH]nnc21 ZINC001225990924 777364202 /nfs/dbraw/zinc/36/42/02/777364202.db2.gz NMYIMMXSKJEKDF-SNVBAGLBSA-N 0 1 259.385 2.606 20 30 CFEDMN CCCCCCCN(C)Cc1cnc(OC)cn1 ZINC001231938327 777387981 /nfs/dbraw/zinc/38/79/81/777387981.db2.gz UQDKQVKCWVWONW-UHFFFAOYSA-N 0 1 251.374 2.887 20 30 CFEDMN N#C[C@H]1CN(Cc2ccc3ccnc(Cl)c3c2)CCC1=O ZINC001231980204 777400131 /nfs/dbraw/zinc/40/01/31/777400131.db2.gz AJKGFLFVTAYJQP-ZDUSSCGKSA-N 0 1 299.761 2.803 20 30 CFEDMN C=CCCN1CC(N(C)C(=O)C/C=C\Cc2ccccc2)C1 ZINC001277611111 777438459 /nfs/dbraw/zinc/43/84/59/777438459.db2.gz SGNOWFXCDXOYCP-HJWRWDBZSA-N 0 1 298.430 2.894 20 30 CFEDMN N#CC[C@H]1CCCN(Cc2cnc(-c3cccnc3)o2)C1 ZINC001232139787 777449868 /nfs/dbraw/zinc/44/98/68/777449868.db2.gz SOCWWRHGEPCHTJ-CYBMUJFWSA-N 0 1 282.347 2.862 20 30 CFEDMN N#CC[C@@H]1CCCN(Cc2cnc(-c3cccnc3)o2)C1 ZINC001232139788 777449960 /nfs/dbraw/zinc/44/99/60/777449960.db2.gz SOCWWRHGEPCHTJ-ZDUSSCGKSA-N 0 1 282.347 2.862 20 30 CFEDMN COc1ccc(CN2CCC[C@H](C#N)CC2)c(C)n1 ZINC001232334332 777526111 /nfs/dbraw/zinc/52/61/11/777526111.db2.gz AJRLYPRLABRIRC-ZDUSSCGKSA-N 0 1 259.353 2.524 20 30 CFEDMN C=CCCCN1CC(N(C)C(=O)c2ccccc2CC)C1 ZINC001277652328 777534810 /nfs/dbraw/zinc/53/48/10/777534810.db2.gz RVPLAMXFYSJKFL-UHFFFAOYSA-N 0 1 286.419 2.971 20 30 CFEDMN C[C@H](c1ccccc1)N1[C@@H]2CC[C@H]1CN(C(=O)[C@@H](C)C#N)C2 ZINC001029242968 777549009 /nfs/dbraw/zinc/54/90/09/777549009.db2.gz PSXRTORQQFHVNZ-HDEZJCGLSA-N 0 1 297.402 2.582 20 30 CFEDMN N#Cc1ccnc(C[N@H+]2CC[C@H]3CCCC[C@H]3C2)c1 ZINC001232479211 777574447 /nfs/dbraw/zinc/57/44/47/777574447.db2.gz OLFNCFYZVCJYNY-CABCVRRESA-N 0 1 255.365 2.965 20 30 CFEDMN N#C[C@H]1CCCN(Cc2cc3ccoc3cn2)CC1 ZINC001232554401 777602173 /nfs/dbraw/zinc/60/21/73/777602173.db2.gz UKFUCTPVLZVSNG-LBPRGKRZSA-N 0 1 255.321 2.953 20 30 CFEDMN C#C[C@@H]1CCCN(Cc2ccc(C(=O)OC)cc2Cl)C1 ZINC001232580666 777609483 /nfs/dbraw/zinc/60/94/83/777609483.db2.gz HJTAKJLWWREQQE-GFCCVEGCSA-N 0 1 291.778 2.972 20 30 CFEDMN N#C[C@@H]1CCCN1Cc1cc(F)c(O)c(Br)c1 ZINC001232630805 777625814 /nfs/dbraw/zinc/62/58/14/777625814.db2.gz YBCBXBLGFVABCJ-VIFPVBQESA-N 0 1 299.143 2.782 20 30 CFEDMN CC1(C#N)CCN(Cc2cncc3cnccc32)CC1 ZINC001232651557 777630873 /nfs/dbraw/zinc/63/08/73/777630873.db2.gz AHXAGIIXUWJBCL-UHFFFAOYSA-N 0 1 266.348 2.755 20 30 CFEDMN N#Cc1ccc([O-])c(C[N@H+]2CCC[C@@H]2c2cccnc2)c1 ZINC001232673714 777636758 /nfs/dbraw/zinc/63/67/58/777636758.db2.gz LRPMVTWEYXNNKZ-MRXNPFEDSA-N 0 1 279.343 2.996 20 30 CFEDMN CC#CCN1CC[C@H](NC(=O)[C@]2(C)CC=CCC2)[C@H]1CC ZINC001087584335 777663703 /nfs/dbraw/zinc/66/37/03/777663703.db2.gz AOXNWEBBEHOZFZ-LZLYRXPVSA-N 0 1 288.435 2.725 20 30 CFEDMN C#C[C@H](CCCC)Oc1n[nH]c(=O)cc1Br ZINC001226848472 777672020 /nfs/dbraw/zinc/67/20/20/777672020.db2.gz CWJGFWNNBQIDNG-MRVPVSSYSA-N 0 1 285.141 2.516 20 30 CFEDMN C=CCN1CC[C@H](NC(=O)c2occc2Cl)[C@H]1CC ZINC001087713908 777685100 /nfs/dbraw/zinc/68/51/00/777685100.db2.gz RTXAIGNOIPLKHI-NWDGAFQWSA-N 0 1 282.771 2.702 20 30 CFEDMN CC(C)O[C@H]1CCN(Cc2ccc(C#N)s2)C1 ZINC001232847461 777691911 /nfs/dbraw/zinc/69/19/11/777691911.db2.gz XOPGQEFWFFJSAB-NSHDSACASA-N 0 1 250.367 2.619 20 30 CFEDMN C=C1O[C@H](CC)C(=O)C1Oc1ccc(C(=O)OC)c(F)c1 ZINC001226943366 777704349 /nfs/dbraw/zinc/70/43/49/777704349.db2.gz IZLPKUALAXUJOD-GFCCVEGCSA-N 0 1 294.278 2.601 20 30 CFEDMN CC#CCN1CC[C@H](NC(=O)c2ccc(CC)cc2)[C@H]1CC ZINC001087816726 777705998 /nfs/dbraw/zinc/70/59/98/777705998.db2.gz CQULYXXWQVTDJV-ZWKOTPCHSA-N 0 1 298.430 2.855 20 30 CFEDMN CC#CCN1CC[C@H](NC(=O)C2CCC=CCC2)[C@H]1CC ZINC001087833086 777713030 /nfs/dbraw/zinc/71/30/30/777713030.db2.gz KGQHHAWSCKBIPX-DLBZAZTESA-N 0 1 288.435 2.725 20 30 CFEDMN C=CCN1CC[C@H](NC(=O)c2nc(C)c(C)s2)[C@H]1CC ZINC001087834293 777713869 /nfs/dbraw/zinc/71/38/69/777713869.db2.gz WDCSXKNXGUAHLD-QWHCGFSZSA-N 0 1 293.436 2.529 20 30 CFEDMN C[C@@H]1CCN[C@H](c2nc(-c3cccc(C#N)c3)no2)C1 ZINC001211881060 777715810 /nfs/dbraw/zinc/71/58/10/777715810.db2.gz VVSGLGXYHKYGAK-MFKMUULPSA-N 0 1 268.320 2.669 20 30 CFEDMN C#C[C@@H]1CCCN(Cc2ccc(OC(F)F)nc2)C1 ZINC001232956110 777737651 /nfs/dbraw/zinc/73/76/51/777737651.db2.gz QRZWMGJAIROTDO-LLVKDONJSA-N 0 1 266.291 2.528 20 30 CFEDMN COC(=O)[C@@H]1CCCN(Cc2ccc(C)cc2C#N)[C@H]1C ZINC001232967304 777742567 /nfs/dbraw/zinc/74/25/67/777742567.db2.gz HWSUBBFZKSQCGD-XJKSGUPXSA-N 0 1 286.375 2.640 20 30 CFEDMN Cc1noc([C@H]2CCN(Cc3ccc(C)cc3C#N)C2)n1 ZINC001232967127 777742848 /nfs/dbraw/zinc/74/28/48/777742848.db2.gz CXHFABMSQKHQFG-AWEZNQCLSA-N 0 1 282.347 2.548 20 30 CFEDMN C=C(Cl)CN1CC[C@@H]2CN(C(=O)C=C3CCC3)C[C@@H]2C1 ZINC001087930866 777760101 /nfs/dbraw/zinc/76/01/01/777760101.db2.gz BFMPQAQBCIOGDW-CABCVRRESA-N 0 1 294.826 2.630 20 30 CFEDMN N#Cc1cc[nH]c1CN1C[C@H]2[C@@H](C1)CCC[C@H]2OCC1CC1 ZINC001233045024 777774305 /nfs/dbraw/zinc/77/43/05/777774305.db2.gz QXICIAAAWFLJQX-SOLBZPMBSA-N 0 1 299.418 2.913 20 30 CFEDMN C[C@H](c1ccccc1)N1CCN(Cc2[nH]ccc2C#N)CC1 ZINC001233047386 777775919 /nfs/dbraw/zinc/77/59/19/777775919.db2.gz YLOCSWAEYZJPDN-OAHLLOKOSA-N 0 1 294.402 2.765 20 30 CFEDMN N#CCCCCNCc1occc1Br ZINC000389340954 777787637 /nfs/dbraw/zinc/78/76/37/777787637.db2.gz YEIMCIQVXQGJSL-UHFFFAOYSA-N 0 1 257.131 2.826 20 30 CFEDMN Cc1cc(C#N)ccc1CN1CCOC[C@H]1C(C)C ZINC001233082375 777791196 /nfs/dbraw/zinc/79/11/96/777791196.db2.gz KJYSHMMZZOPZLL-INIZCTEOSA-N 0 1 258.365 2.724 20 30 CFEDMN C#CC1CCN(Cc2ccc(N(C)C)c(C#N)c2F)CC1 ZINC001233102920 777795058 /nfs/dbraw/zinc/79/50/58/777795058.db2.gz SCKYDLIWBMTQFE-UHFFFAOYSA-N 0 1 285.366 2.609 20 30 CFEDMN CC1CCN(Cc2ccc(N(C)C)c(C#N)c2F)CC1 ZINC001233097556 777795518 /nfs/dbraw/zinc/79/55/18/777795518.db2.gz UWCSVMSWBOXZTC-UHFFFAOYSA-N 0 1 275.371 2.995 20 30 CFEDMN N#C[C@@H]1C[C@H]2CC[C@@H](C1)N2Cc1cccc2c1OCO2 ZINC001141958450 777804903 /nfs/dbraw/zinc/80/49/03/777804903.db2.gz GAVXJORYARRPBM-DEZZGGKRSA-N 0 1 270.332 2.682 20 30 CFEDMN C=CCCCN1Cc2n[nH]c(C(=O)N(CC)C(C)C)c2C1 ZINC001277779918 777831759 /nfs/dbraw/zinc/83/17/59/777831759.db2.gz WGUYLHRUQICYLJ-UHFFFAOYSA-N 0 1 290.411 2.562 20 30 CFEDMN C#CCN[C@@H](CNC(=O)C1CCCC1)c1ccccc1CC ZINC001271439297 777854903 /nfs/dbraw/zinc/85/49/03/777854903.db2.gz QYJVVMWPIDFKCL-SFHVURJKSA-N 0 1 298.430 2.819 20 30 CFEDMN COc1ccc2c(c1)CC[N@H+](Cc1ccc(C#N)cc1[O-])C2 ZINC001233383713 777927221 /nfs/dbraw/zinc/92/72/21/777927221.db2.gz SVAWPNIJLKFINO-UHFFFAOYSA-N 0 1 294.354 2.831 20 30 CFEDMN N#Cc1ccc(C[N@H+]2CC[C@@H](C(F)(F)F)C2)c([O-])c1 ZINC001233386174 777927754 /nfs/dbraw/zinc/92/77/54/777927754.db2.gz IVNQMDZAWWVBBA-LLVKDONJSA-N 0 1 270.254 2.648 20 30 CFEDMN N#Cc1ccc(C[N@H+]2CC[C@@H](Oc3ccccc3)C2)c([O-])c1 ZINC001233386103 777928009 /nfs/dbraw/zinc/92/80/09/777928009.db2.gz GNBHRVBRGAYXQK-QGZVFWFLSA-N 0 1 294.354 2.917 20 30 CFEDMN N#Cc1ccc(C[N@H+]2CCC[C@@H]2Cc2ccccn2)c([O-])c1 ZINC001233386266 777928044 /nfs/dbraw/zinc/92/80/44/777928044.db2.gz MMLAUZBCBNERPK-QGZVFWFLSA-N 0 1 293.370 2.866 20 30 CFEDMN C[N@@H+](CCc1cccs1)Cc1ccc(C#N)cc1[O-] ZINC001233386586 777929001 /nfs/dbraw/zinc/92/90/01/777929001.db2.gz ZMNVBDMSKFPFAV-UHFFFAOYSA-N 0 1 272.373 3.000 20 30 CFEDMN C=CCCSCCNCc1c(Cl)c(C)nn1C ZINC000696139020 777988715 /nfs/dbraw/zinc/98/87/15/777988715.db2.gz LRQBODZLDHFPIF-UHFFFAOYSA-N 0 1 273.833 2.781 20 30 CFEDMN C=C(C)CN1CC[C@@H]1CN(C)C(=O)C(C)=C1CCCC1 ZINC001233578920 777997856 /nfs/dbraw/zinc/99/78/56/777997856.db2.gz CLIBCEPWJGRUOY-MRXNPFEDSA-N 0 1 276.424 2.986 20 30 CFEDMN C=CCCC[N@@H+]1CC[C@@H]1CN(C)C(=O)[C@@H](CC)SC ZINC001233728404 778055024 /nfs/dbraw/zinc/05/50/24/778055024.db2.gz BOMAHJGNYADOSA-ZIAGYGMSSA-N 0 1 284.469 2.627 20 30 CFEDMN COc1cc(/C=N/[O-])ccc1O[C@@H]1CCC[N@@H+](C(C)C)C1 ZINC001233804333 778082691 /nfs/dbraw/zinc/08/26/91/778082691.db2.gz XGBMCPJKMUAGRO-NGWPFTMJSA-N 0 1 292.379 2.755 20 30 CFEDMN COc1cc(/C=N/[O-])ccc1O[C@@H]1CCC[N@H+](C(C)C)C1 ZINC001233804333 778082699 /nfs/dbraw/zinc/08/26/99/778082699.db2.gz XGBMCPJKMUAGRO-NGWPFTMJSA-N 0 1 292.379 2.755 20 30 CFEDMN C=CCN1CCC[C@@H](N(Cc2ccccc2)C(C)=O)C1 ZINC001029919075 778152014 /nfs/dbraw/zinc/15/20/14/778152014.db2.gz OGUFOEOLLLZERS-QGZVFWFLSA-N 0 1 272.392 2.686 20 30 CFEDMN C=CCN1CC[C@@H]1CN(C)C(=O)CC(C)(C)C1CC1 ZINC001234099212 778165491 /nfs/dbraw/zinc/16/54/91/778165491.db2.gz JYRPMTKIHSXKCC-CQSZACIVSA-N 0 1 264.413 2.531 20 30 CFEDMN C=CC(C)(C)CCCN[C@H](c1nnc[nH]1)c1cccnc1 ZINC000872101487 778170130 /nfs/dbraw/zinc/17/01/30/778170130.db2.gz MKMPPTMLZAQLEA-AWEZNQCLSA-N 0 1 285.395 2.871 20 30 CFEDMN CC[C@@H](C)C(=O)NCCCN(C)CC#Cc1ccccc1 ZINC001234127407 778171452 /nfs/dbraw/zinc/17/14/52/778171452.db2.gz WCDNLRQBOAUXFF-MRXNPFEDSA-N 0 1 286.419 2.522 20 30 CFEDMN C=C[C@H](CC)Oc1[nH]c(=O)nc2ccc(C#N)cc21 ZINC001234529210 778245150 /nfs/dbraw/zinc/24/51/50/778245150.db2.gz CTVYFSMRXGFMQJ-SNVBAGLBSA-N 0 1 255.277 2.550 20 30 CFEDMN C#CCN(C)CCN(C)C(=O)CCC1CCCCCC1 ZINC001272067823 778249752 /nfs/dbraw/zinc/24/97/52/778249752.db2.gz ONADGMVDQJPCPW-UHFFFAOYSA-N 0 1 278.440 2.760 20 30 CFEDMN C=C(Cl)C(C)(C)C(=O)N(C)C[C@H]1CCN1CCCF ZINC001234554420 778252737 /nfs/dbraw/zinc/25/27/37/778252737.db2.gz IKFKGFVXUCEQPB-GFCCVEGCSA-N 0 1 290.810 2.657 20 30 CFEDMN C#CCN1CC[C@H](NC(=O)c2ccccc2C(C)C)[C@H]1C ZINC001088606967 778321510 /nfs/dbraw/zinc/32/15/10/778321510.db2.gz YINWOFKCKMDRJR-PBHICJAKSA-N 0 1 284.403 2.636 20 30 CFEDMN C=C1O[C@H](C)C(=O)C1OCc1cccc(OCC)c1 ZINC001223771525 778343302 /nfs/dbraw/zinc/34/33/02/778343302.db2.gz ORQXNFAZHYSKGQ-SNVBAGLBSA-N 0 1 262.305 2.821 20 30 CFEDMN C=CCN1CC[C@H](NC(=O)c2cc(C)c(F)cc2F)[C@H]1C ZINC001088653349 778377353 /nfs/dbraw/zinc/37/73/53/778377353.db2.gz KLJUTVVHPDSRLN-ABAIWWIYSA-N 0 1 294.345 2.652 20 30 CFEDMN C=C(C)C[N@@H+]1CCCN(C(=O)C(C)(CC)CC)CC1 ZINC000989699699 778423142 /nfs/dbraw/zinc/42/31/42/778423142.db2.gz SLEKHJOTNJOISB-UHFFFAOYSA-N 0 1 266.429 2.923 20 30 CFEDMN C=C(C)CN1CCCN(C(=O)C(C)(CC)CC)CC1 ZINC000989699699 778423143 /nfs/dbraw/zinc/42/31/43/778423143.db2.gz SLEKHJOTNJOISB-UHFFFAOYSA-N 0 1 266.429 2.923 20 30 CFEDMN CC(C)N1CC(Nc2nc3ccccc3cc2CC#N)C1 ZINC001168313064 778424464 /nfs/dbraw/zinc/42/44/64/778424464.db2.gz GPLYTJRKKHTJQS-UHFFFAOYSA-N 0 1 280.375 2.805 20 30 CFEDMN C=C(C)CN1CC[C@H](NC(=O)c2cc(OC)cs2)[C@H]1C ZINC001088789781 778493301 /nfs/dbraw/zinc/49/33/01/778493301.db2.gz HDRYRVRNIWFYML-YPMHNXCESA-N 0 1 294.420 2.525 20 30 CFEDMN C[C@H]1C[N@@H+](Cc2ccccc2CC#N)CCCC1=O ZINC001235511666 778508619 /nfs/dbraw/zinc/50/86/19/778508619.db2.gz LHKDXUXUPPNTIA-ZDUSSCGKSA-N 0 1 256.349 2.554 20 30 CFEDMN C[C@H]1CN(Cc2ccccc2CC#N)CCCC1=O ZINC001235511666 778508624 /nfs/dbraw/zinc/50/86/24/778508624.db2.gz LHKDXUXUPPNTIA-ZDUSSCGKSA-N 0 1 256.349 2.554 20 30 CFEDMN CCCNC(=O)[C@H]1CCCCN1Cc1ccccc1CC#N ZINC001235522344 778510062 /nfs/dbraw/zinc/51/00/62/778510062.db2.gz DGUZFAQMPLPRPU-QGZVFWFLSA-N 0 1 299.418 2.633 20 30 CFEDMN CCCCCCCCN(C)CC1=CS[C@@H](N)N1 ZINC001235663555 778530605 /nfs/dbraw/zinc/53/06/05/778530605.db2.gz IZVLTKZPKNITPU-ZDUSSCGKSA-N 0 1 257.447 2.699 20 30 CFEDMN N#CC1CC[NH+](Cc2ccc(Cl)cc2C(=O)[O-])CC1 ZINC001142643193 778542842 /nfs/dbraw/zinc/54/28/42/778542842.db2.gz KMQNAOXTXDLBBW-UHFFFAOYSA-N 0 1 278.739 2.774 20 30 CFEDMN C=C[C@H](CCCCCC)OCC[NH+]1CCN(C)CC1 ZINC001224550528 778574595 /nfs/dbraw/zinc/57/45/95/778574595.db2.gz WITPCYODTPMISO-MRXNPFEDSA-N 0 1 268.445 2.775 20 30 CFEDMN N#CCc1cccnc1-c1c(F)cc(F)c(O)c1F ZINC001235987545 778641848 /nfs/dbraw/zinc/64/18/48/778641848.db2.gz XKXAZHRSPKKKSU-UHFFFAOYSA-N 0 1 264.206 2.938 20 30 CFEDMN C=C(C)CN1CCC[C@@H](NC(=O)[C@]23C[C@H]2CCCC3)C1 ZINC001030027211 778728866 /nfs/dbraw/zinc/72/88/66/778728866.db2.gz ZJTWNUWPWGBIBI-BFYDXBDKSA-N 0 1 276.424 2.723 20 30 CFEDMN C=CCN1CCC[C@@H](NC(=O)C2[C@@H]3CCCCCC[C@@H]23)C1 ZINC001030027937 778730283 /nfs/dbraw/zinc/73/02/83/778730283.db2.gz ITCWECQVRFLJGT-BZUAXINKSA-N 0 1 290.451 2.969 20 30 CFEDMN COc1ccc(C#N)cc1-c1cc2[nH]cnc2cn1 ZINC001236535462 778868300 /nfs/dbraw/zinc/86/83/00/778868300.db2.gz CJARCWNLCFXAHX-UHFFFAOYSA-N 0 1 250.261 2.505 20 30 CFEDMN N#Cc1ccc(CN2CC[C@]3(CCCO3)C2)cc1Cl ZINC001232112530 778899342 /nfs/dbraw/zinc/89/93/42/778899342.db2.gz XCGDKZOGGQBYOZ-OAHLLOKOSA-N 0 1 276.767 2.967 20 30 CFEDMN C[C@H]1CCN(Cc2ccc(C#N)c(Cl)c2)CC[C@H]1O ZINC001232112549 778899366 /nfs/dbraw/zinc/89/93/66/778899366.db2.gz XNVCAUHZSOIVJK-XHDPSFHLSA-N 0 1 278.783 2.804 20 30 CFEDMN C=CCN1CC(C)(C)CC[C@H]1CNC(=O)[C@@H](CC)SC ZINC001099022867 778921281 /nfs/dbraw/zinc/92/12/81/778921281.db2.gz JNHBSXIRYSPTLF-UONOGXRCSA-N 0 1 298.496 2.921 20 30 CFEDMN C=CCN1CC[C@H](NC(=O)c2cc(F)cc(Cl)c2)[C@H]1C ZINC001088877644 778933090 /nfs/dbraw/zinc/93/30/90/778933090.db2.gz BFZCKEHDXVGWGY-YGRLFVJLSA-N 0 1 296.773 2.858 20 30 CFEDMN C=CC[N@@H+]1CC[C@H](NC(=O)c2ccc3cc[nH]c3c2)[C@H]1C ZINC001088884336 778935374 /nfs/dbraw/zinc/93/53/74/778935374.db2.gz PGWMSINLDUEFHT-DOMZBBRYSA-N 0 1 283.375 2.547 20 30 CFEDMN C=CCN1CC[C@H](NC(=O)c2ccc3cc[nH]c3c2)[C@H]1C ZINC001088884336 778935380 /nfs/dbraw/zinc/93/53/80/778935380.db2.gz PGWMSINLDUEFHT-DOMZBBRYSA-N 0 1 283.375 2.547 20 30 CFEDMN C#C[C@@H]1CCC[N@@H+](Cc2c([O-])cc(OC)cc2Cl)C1 ZINC001236804610 778945357 /nfs/dbraw/zinc/94/53/57/778945357.db2.gz WKJJJKPZHIUBGJ-LLVKDONJSA-N 0 1 279.767 2.899 20 30 CFEDMN C#C[C@@H]1CCC[N@H+](Cc2c([O-])cc(OC)cc2Cl)C1 ZINC001236804610 778945364 /nfs/dbraw/zinc/94/53/64/778945364.db2.gz WKJJJKPZHIUBGJ-LLVKDONJSA-N 0 1 279.767 2.899 20 30 CFEDMN C#CCN1CC[C@H](NC(=O)[C@@H](C)c2ccc(CC)cc2)[C@H]1C ZINC001088924149 778950123 /nfs/dbraw/zinc/95/01/23/778950123.db2.gz IMSKWTONDXSUNI-DAYGRLMNSA-N 0 1 298.430 2.565 20 30 CFEDMN CCCN(CCC#N)Cc1c(C)cc(OC)cc1O ZINC001236814948 778950415 /nfs/dbraw/zinc/95/04/15/778950415.db2.gz XUAQAAZQKPWPQC-UHFFFAOYSA-N 0 1 262.353 2.835 20 30 CFEDMN C=CCN1CC[C@H](NC(=O)c2ncsc2C(C)C)[C@H]1C ZINC001088974370 778963707 /nfs/dbraw/zinc/96/37/07/778963707.db2.gz OIPSUCIHGBAMRY-NEPJUHHUSA-N 0 1 293.436 2.645 20 30 CFEDMN CC#CCN1CC[C@H](NC(=O)c2ccc(Cl)cc2)[C@H]1C ZINC001088995558 778969349 /nfs/dbraw/zinc/96/93/49/778969349.db2.gz YGTIINMWRBASSA-DOMZBBRYSA-N 0 1 290.794 2.556 20 30 CFEDMN C#CCN1CC[C@H](NC(=O)c2ccc(C(C)(C)C)cc2)[C@H]1C ZINC001088998636 778971291 /nfs/dbraw/zinc/97/12/91/778971291.db2.gz HAIDFWFRHRMWSC-PBHICJAKSA-N 0 1 298.430 2.810 20 30 CFEDMN C=CC[N@@H+]1CC[C@H](NC(=O)c2cc(C)ccc2C)[C@H]1C ZINC001089002953 778972418 /nfs/dbraw/zinc/97/24/18/778972418.db2.gz PLGIEHRLTXWRQX-ZBFHGGJFSA-N 0 1 272.392 2.682 20 30 CFEDMN C=CC[N@@H+]1CC[C@H](NC(=O)C2CCC(C3CC3)CC2)[C@H]1C ZINC001089012769 778974368 /nfs/dbraw/zinc/97/43/68/778974368.db2.gz MSJJNHXXKZCPJP-MFNRNEDNSA-N 0 1 290.451 2.968 20 30 CFEDMN C=CCN1CC[C@H](NC(=O)c2cc3ccccc3[nH]2)[C@H]1C ZINC001089027595 778976719 /nfs/dbraw/zinc/97/67/19/778976719.db2.gz ZZIQCRVWZASYNN-OCCSQVGLSA-N 0 1 283.375 2.547 20 30 CFEDMN C=C(C)CN1CC[C@H](NC(=O)c2sc(C)nc2C)[C@H]1C ZINC001089027618 778977446 /nfs/dbraw/zinc/97/74/46/778977446.db2.gz BLIYBMVGACYQEQ-YPMHNXCESA-N 0 1 293.436 2.529 20 30 CFEDMN C=CCN1CC[C@H](NC(=O)c2ccc(CF)cc2)[C@H]1C ZINC001089067811 778984961 /nfs/dbraw/zinc/98/49/61/778984961.db2.gz XMKCBIDTXJAQNU-DOMZBBRYSA-N 0 1 276.355 2.535 20 30 CFEDMN CC#CCN1CC[C@H](NC(=O)[C@H]2CCCC(C)(C)C2)[C@H]1C ZINC001089066135 778987039 /nfs/dbraw/zinc/98/70/39/778987039.db2.gz SDKFPOZTEQQNPG-PMPSAXMXSA-N 0 1 290.451 2.805 20 30 CFEDMN C=CC[N@H+](Cc1cc(C(=O)OCC)n[nH]1)C1CCCCC1 ZINC001237040508 778995941 /nfs/dbraw/zinc/99/59/41/778995941.db2.gz GPNKQFGJVVFYGZ-UHFFFAOYSA-N 0 1 291.395 2.907 20 30 CFEDMN C=CCN(Cc1cc(C(=O)OCC)n[nH]1)C1CCCCC1 ZINC001237040508 778995946 /nfs/dbraw/zinc/99/59/46/778995946.db2.gz GPNKQFGJVVFYGZ-UHFFFAOYSA-N 0 1 291.395 2.907 20 30 CFEDMN N#CC1(CCCCN(CC(N)=O)Cc2ccccc2)CCC1 ZINC000929627808 779054917 /nfs/dbraw/zinc/05/49/17/779054917.db2.gz MJBMROIIXKOMGA-UHFFFAOYSA-N 0 1 299.418 2.838 20 30 CFEDMN COC(=O)c1cc2cc(CN3CCC(C#N)CC3)ccc2[nH]1 ZINC001237316374 779073424 /nfs/dbraw/zinc/07/34/24/779073424.db2.gz NUOVKNKWFVFMCT-UHFFFAOYSA-N 0 1 297.358 2.690 20 30 CFEDMN CC1(C)CN(Cc2ccnc(C#N)c2)CCC1(F)F ZINC001237462916 779113684 /nfs/dbraw/zinc/11/36/84/779113684.db2.gz NDWOUTYIKPMSHK-UHFFFAOYSA-N 0 1 265.307 2.820 20 30 CFEDMN COc1cccc(OC)c1C(=O)Nc1cc(C#N)ccc1O ZINC000176394873 779121662 /nfs/dbraw/zinc/12/16/62/779121662.db2.gz BWYOCJPZXOEXAQ-UHFFFAOYSA-N 0 1 298.298 2.533 20 30 CFEDMN N#C[C@H]1CN(Cc2cccc3c(F)cccc23)CCC1=O ZINC001237515774 779125185 /nfs/dbraw/zinc/12/51/85/779125185.db2.gz OYYRJEHTOSCIAW-ZDUSSCGKSA-N 0 1 282.318 2.893 20 30 CFEDMN CN(Cc1cn2cc(C#N)ccc2n1)Cc1ccccc1O ZINC001237606332 779140093 /nfs/dbraw/zinc/14/00/93/779140093.db2.gz KQSAPNUSYORKOS-UHFFFAOYSA-N 0 1 292.342 2.544 20 30 CFEDMN CN(CCc1ccccc1)Cc1cn2cc(C#N)ccc2n1 ZINC001237604147 779140575 /nfs/dbraw/zinc/14/05/75/779140575.db2.gz MDCUHOSGYHJHFC-UHFFFAOYSA-N 0 1 290.370 2.880 20 30 CFEDMN N#Cc1ccc2nc(CN3CCC[C@@H]4CCC[C@H]43)cn2c1 ZINC001237606813 779140708 /nfs/dbraw/zinc/14/07/08/779140708.db2.gz OSOLTLMOXMSIQQ-GOEBONIOSA-N 0 1 280.375 2.970 20 30 CFEDMN CC(C)[N@H+]1CCC[C@H](Oc2cc(O)cc(C#N)c2)C1 ZINC001234144373 779141686 /nfs/dbraw/zinc/14/16/86/779141686.db2.gz MTQXKMMHZXJDDD-AWEZNQCLSA-N 0 1 260.337 2.515 20 30 CFEDMN CC[C@H](CC#N)[NH2+]Cc1ccc(Br)cc1[O-] ZINC000701046720 779159079 /nfs/dbraw/zinc/15/90/79/779159079.db2.gz YQZPTMTWBWQOEK-LLVKDONJSA-N 0 1 283.169 2.937 20 30 CFEDMN CC[C@H](CC#N)NCc1ccc(Br)cc1O ZINC000701046720 779159083 /nfs/dbraw/zinc/15/90/83/779159083.db2.gz YQZPTMTWBWQOEK-LLVKDONJSA-N 0 1 283.169 2.937 20 30 CFEDMN COc1ccc(C)c(CN2CCC3SC(=O)C=C3C2)c1 ZINC001237708865 779165704 /nfs/dbraw/zinc/16/57/04/779165704.db2.gz USECKPRLZVLPBT-HNNXBMFYSA-N 0 1 289.400 2.778 20 30 CFEDMN COc1ccc(C)c(CN2CCC3SC(=O)C=C3C2)c1 ZINC001237708868 779165983 /nfs/dbraw/zinc/16/59/83/779165983.db2.gz USECKPRLZVLPBT-OAHLLOKOSA-N 0 1 289.400 2.778 20 30 CFEDMN N#Cc1csc(C(=O)C(C#N)C(=O)Nc2ccccc2)c1 ZINC000176460172 779179619 /nfs/dbraw/zinc/17/96/19/779179619.db2.gz MSDLSAASVWNAOZ-LBPRGKRZSA-N 0 1 295.323 2.581 20 30 CFEDMN N#C[C@@H]1CCN(Cc2cc(F)cc(Cl)c2O)C1 ZINC001237798675 779180403 /nfs/dbraw/zinc/18/04/03/779180403.db2.gz KUYQWLILISABDK-QMMMGPOBSA-N 0 1 254.692 2.530 20 30 CFEDMN CCOC(=O)c1ccccc1CN1CCC(CC#N)CC1 ZINC001237887051 779200626 /nfs/dbraw/zinc/20/06/26/779200626.db2.gz OYEACSITYBNFAD-UHFFFAOYSA-N 0 1 286.375 2.989 20 30 CFEDMN Cc1ccc2nc(CNC(=O)C#Cc3ccccc3)[nH]c2c1 ZINC000176528636 779217857 /nfs/dbraw/zinc/21/78/57/779217857.db2.gz VWLLYDHBFNEYNP-UHFFFAOYSA-N 0 1 289.338 2.539 20 30 CFEDMN N#CC1CCN(Cc2cc(F)c(O)c(Cl)c2)CC1 ZINC001237990790 779222983 /nfs/dbraw/zinc/22/29/83/779222983.db2.gz TWCGCCMBZZAIGZ-UHFFFAOYSA-N 0 1 268.719 2.920 20 30 CFEDMN N#Cc1cc(CN2CCC[C@](O)(CF)CC2)ccc1Cl ZINC001238189584 779273399 /nfs/dbraw/zinc/27/33/99/779273399.db2.gz SRIQHKVAGDOLLE-OAHLLOKOSA-N 0 1 296.773 2.898 20 30 CFEDMN C[C@H]1CC[C@H](CO)CN1Cc1ccc(Cl)c(C#N)c1 ZINC001238190030 779275035 /nfs/dbraw/zinc/27/50/35/779275035.db2.gz ZYVPOOMBCWOZDZ-AAEUAGOBSA-N 0 1 278.783 2.804 20 30 CFEDMN C#CCN1CCC(OC(=O)[C@@H](C)OCCCCCC)CC1 ZINC001123250123 779366234 /nfs/dbraw/zinc/36/62/34/779366234.db2.gz JDTCRRDVRQJWHI-OAHLLOKOSA-N 0 1 295.423 2.613 20 30 CFEDMN N#Cc1cc(C(F)(F)F)ccc1-c1ncnc2c1CNC2 ZINC001238838601 779402176 /nfs/dbraw/zinc/40/21/76/779402176.db2.gz UOZIVRNRHSUPIM-UHFFFAOYSA-N 0 1 290.248 2.637 20 30 CFEDMN COc1cnc(F)cc1-c1nccc2[nH]cc(C#N)c21 ZINC001239022169 779441470 /nfs/dbraw/zinc/44/14/70/779441470.db2.gz UIJGAAPIDLDCKW-UHFFFAOYSA-N 0 1 268.251 2.644 20 30 CFEDMN CCCCCCCCCOC(=O)N[C@]1(C#N)CCNC1 ZINC001239319945 779512387 /nfs/dbraw/zinc/51/23/87/779512387.db2.gz XXCCLQHKATTXQF-HNNXBMFYSA-N 0 1 281.400 2.719 20 30 CFEDMN CCCCCCCOC(=O)N1C[C@@H](C)N[C@@H](C)C1 ZINC001239334152 779524272 /nfs/dbraw/zinc/52/42/72/779524272.db2.gz DOEKPPNKMHLIJE-BETUJISGSA-N 0 1 256.390 2.776 20 30 CFEDMN CC(=O)NC[C@@H]1CCC(C)(C)CN1Cc1cccc(C#N)c1 ZINC001089595649 779536282 /nfs/dbraw/zinc/53/62/82/779536282.db2.gz MEQNLCQLCQOEQV-KRWDZBQOSA-N 0 1 299.418 2.685 20 30 CFEDMN CC#CCN1CC(C)(C)CC[C@@H]1CNC(=O)c1ccoc1 ZINC001089605874 779542311 /nfs/dbraw/zinc/54/23/11/779542311.db2.gz QOMJAWOIIRMEBF-OAHLLOKOSA-N 0 1 288.391 2.523 20 30 CFEDMN C=CCN1CC(CNC(=O)c2ccc(C3CCC3)cc2)C1 ZINC001031716444 779547909 /nfs/dbraw/zinc/54/79/09/779547909.db2.gz ZORRKFLKEOUYDT-UHFFFAOYSA-N 0 1 284.403 2.802 20 30 CFEDMN C=CCN1CC(C)(C)CC[C@H]1CNC(=O)c1ccsn1 ZINC001089659047 779557541 /nfs/dbraw/zinc/55/75/41/779557541.db2.gz RKFALIJAZFMGDL-LBPRGKRZSA-N 0 1 293.436 2.550 20 30 CFEDMN C=CCN1CC(C)(C)CC[C@@H]1CNC(=O)c1ccsn1 ZINC001089659046 779557984 /nfs/dbraw/zinc/55/79/84/779557984.db2.gz RKFALIJAZFMGDL-GFCCVEGCSA-N 0 1 293.436 2.550 20 30 CFEDMN CCCCCCCCCNC(=S)N1CCN[C@@H]2C[C@@H]21 ZINC001239431288 779563770 /nfs/dbraw/zinc/56/37/70/779563770.db2.gz KPMDQOJBLILLDC-KGLIPLIRSA-N 0 1 283.485 2.658 20 30 CFEDMN C=C(C)CN1CC(CNC(=O)c2cc(F)c(C)cc2F)C1 ZINC001031749574 779587031 /nfs/dbraw/zinc/58/70/31/779587031.db2.gz KFWLBCAYBFHXRW-UHFFFAOYSA-N 0 1 294.345 2.511 20 30 CFEDMN C=CCN1CC(CNC(=O)[C@H]2CCC[C@H]2c2ccccc2)C1 ZINC001031836824 779637221 /nfs/dbraw/zinc/63/72/21/779637221.db2.gz RGFVVBIHUZNBJK-ROUUACIJSA-N 0 1 298.430 2.804 20 30 CFEDMN C=C(C)CN1CC(CNC(=O)c2occc2C(C)C)C1 ZINC001031919923 779673083 /nfs/dbraw/zinc/67/30/83/779673083.db2.gz MLZXNTXTGSMOHH-UHFFFAOYSA-N 0 1 276.380 2.641 20 30 CFEDMN C=CCN1CC(CNC(=O)[C@H]2CC[C@H](C(C)C)CC2)C1 ZINC001032072375 779729594 /nfs/dbraw/zinc/72/95/94/779729594.db2.gz NJZKBHLYBANSIP-WKILWMFISA-N 0 1 278.440 2.683 20 30 CFEDMN C=CCN1CC(CNC(=O)c2ccsc2C(F)F)C1 ZINC001032155515 779745983 /nfs/dbraw/zinc/74/59/83/779745983.db2.gz XEGRARJNNLAXMG-UHFFFAOYSA-N 0 1 286.347 2.533 20 30 CFEDMN C=C(C)CN1CC(CNC(=O)c2ccccc2Cl)C1 ZINC001032145067 779747162 /nfs/dbraw/zinc/74/71/62/779747162.db2.gz NSGJNEMOFXZPLB-UHFFFAOYSA-N 0 1 278.783 2.578 20 30 CFEDMN CS(=O)(=O)c1ccccc1-c1nccc2[nH]cc(C#N)c21 ZINC001239772642 779763065 /nfs/dbraw/zinc/76/30/65/779763065.db2.gz KYIWWJWUGAVHAR-UHFFFAOYSA-N 0 1 297.339 2.505 20 30 CFEDMN C=C(C)CN1CC(CNC(=O)C2C[C@@H](C)C[C@H](C)C2)C1 ZINC001032210197 779766021 /nfs/dbraw/zinc/76/60/21/779766021.db2.gz APJTXLUBZQRAIY-KBPBESRZSA-N 0 1 278.440 2.683 20 30 CFEDMN C=C(C)CN1CC(CNC(=O)c2c[nH]c3ccc(C)cc23)C1 ZINC001032211080 779767056 /nfs/dbraw/zinc/76/70/56/779767056.db2.gz ZQVWCFKYTVPPRO-UHFFFAOYSA-N 0 1 297.402 2.714 20 30 CFEDMN C=C(C)CN1CC(CNC(=O)C2CCC(C)(C)CC2)C1 ZINC001032214861 779770375 /nfs/dbraw/zinc/77/03/75/779770375.db2.gz VGLSRWAKTWVCSR-UHFFFAOYSA-N 0 1 278.440 2.827 20 30 CFEDMN C=C(C)CCN1C[C@@H]2C[C@H]1CN2C(=O)c1oc(C)cc1C ZINC001032341167 779871217 /nfs/dbraw/zinc/87/12/17/779871217.db2.gz LNUZSIRZCBFRHK-GJZGRUSLSA-N 0 1 288.391 2.761 20 30 CFEDMN C=C(C)CCN1CCO[C@](C)(CNC(=O)CCCCC)C1 ZINC001107741728 779890564 /nfs/dbraw/zinc/89/05/64/779890564.db2.gz OMNSKDUQLZZABR-QGZVFWFLSA-N 0 1 296.455 2.740 20 30 CFEDMN C=C(C)CCN1CCO[C@@](C)(CNC(=O)/C(C)=C\CC)C1 ZINC001107784384 779898075 /nfs/dbraw/zinc/89/80/75/779898075.db2.gz WTSDAVCNQNYGMZ-OLMDTSMNSA-N 0 1 294.439 2.516 20 30 CFEDMN COc1cc(F)ccc1-c1cc2[nH]cnc2c(C#N)n1 ZINC001239995451 779901166 /nfs/dbraw/zinc/90/11/66/779901166.db2.gz VLOVXFIHXZGROQ-UHFFFAOYSA-N 0 1 268.251 2.644 20 30 CFEDMN C[C@H]1CCN(Cc2c[nH]c3cc(C#N)ccc23)CCC1=O ZINC001142911943 779917544 /nfs/dbraw/zinc/91/75/44/779917544.db2.gz PFHAVGJQRXZGCB-LBPRGKRZSA-N 0 1 281.359 2.841 20 30 CFEDMN C[C@@H]1CCN(Cc2c[nH]c3cc(C#N)ccc23)CCC1=O ZINC001142911942 779918109 /nfs/dbraw/zinc/91/81/09/779918109.db2.gz PFHAVGJQRXZGCB-GFCCVEGCSA-N 0 1 281.359 2.841 20 30 CFEDMN C=C(C)CN1C[C@@H]2C[C@H]1CN2C(=O)[C@@H]1CCCC2(CC2)C1 ZINC001032404334 779932398 /nfs/dbraw/zinc/93/23/98/779932398.db2.gz XWKIMXMNZBWELE-PMPSAXMXSA-N 0 1 288.435 2.818 20 30 CFEDMN C#CCCN1C[C@@H]2C[C@H]1CN2C(=O)c1ccccc1C(C)C ZINC001032434157 779956104 /nfs/dbraw/zinc/95/61/04/779956104.db2.gz CGNSETZHZDGWKI-HOTGVXAUSA-N 0 1 296.414 2.732 20 30 CFEDMN C=CCC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@@H]1CC[C@@H]2C[C@@H]2CC1 ZINC001032533870 780017242 /nfs/dbraw/zinc/01/72/42/780017242.db2.gz LNTJBVKHJZFSPL-KSWRQPAISA-N 0 1 288.435 2.674 20 30 CFEDMN C=CCC(CC=C)C(=O)N1CC[C@H]2CC[C@@H](C1)N2CCF ZINC001278310412 780023668 /nfs/dbraw/zinc/02/36/68/780023668.db2.gz VOIPANCTLYJANX-CVEARBPZSA-N 0 1 294.414 2.790 20 30 CFEDMN C=C(C)CN1C[C@@H]2C[C@H]1CN2C(=O)Cc1cc(C)ccc1C ZINC001032604215 780066169 /nfs/dbraw/zinc/06/61/69/780066169.db2.gz UNQYYKVXHGAISR-ROUUACIJSA-N 0 1 298.430 2.707 20 30 CFEDMN C=C1CCC(C(=O)N2C[C@@H]3C[C@H]2CN3CC=C(C)C)CC1 ZINC001032605989 780068180 /nfs/dbraw/zinc/06/81/80/780068180.db2.gz LRGLSNQJMDUPDR-IRXDYDNUSA-N 0 1 288.435 2.984 20 30 CFEDMN C=C(C)CN1C[C@@H]2C[C@H]1CN2C(=O)[C@H](C)c1cccc(C)c1 ZINC001032654012 780116136 /nfs/dbraw/zinc/11/61/36/780116136.db2.gz MEYCAMWEFARTAF-NJAFHUGGSA-N 0 1 298.430 2.960 20 30 CFEDMN C=C(Cl)CNCCNC(=O)c1c(C)oc2ccccc21 ZINC001128069952 780130520 /nfs/dbraw/zinc/13/05/20/780130520.db2.gz OXWFDHOBXSJVGC-UHFFFAOYSA-N 0 1 292.766 2.813 20 30 CFEDMN C=C(C)CN1CC[C@@]2(CCCN2Cc2cccnc2C)C1=O ZINC001272828454 780155389 /nfs/dbraw/zinc/15/53/89/780155389.db2.gz RNQCKGHGAIWXCT-SFHVURJKSA-N 0 1 299.418 2.533 20 30 CFEDMN CCc1ccc(C(=O)NC2(C#N)CCN(C)CC2)cc1CC ZINC001116468395 780166380 /nfs/dbraw/zinc/16/63/80/780166380.db2.gz JTDBBEYFLAGUHU-UHFFFAOYSA-N 0 1 299.418 2.529 20 30 CFEDMN COc1ccc([C@@H]2C[C@@H](N3CC[C@H](C#N)C3)CCO2)cc1 ZINC001168658604 780212817 /nfs/dbraw/zinc/21/28/17/780212817.db2.gz APLCODXYPFZHNB-KMFMINBZSA-N 0 1 286.375 2.761 20 30 CFEDMN C#CCCN1C[C@@H]2C[C@H]1CN2C(=O)[C@H]1CCCC(C)(C)C1 ZINC001032808590 780263322 /nfs/dbraw/zinc/26/33/22/780263322.db2.gz IWTWOTLUYJSBIC-JYJNAYRXSA-N 0 1 288.435 2.511 20 30 CFEDMN C=CC[C@@H](N[C@@H](C)c1ccc(=O)[nH]n1)c1ccncc1 ZINC001117112743 780364843 /nfs/dbraw/zinc/36/48/43/780364843.db2.gz OAAJZFDRXRQLPF-SMDDNHRTSA-N 0 1 270.336 2.545 20 30 CFEDMN C=CC(C)(C)CC(=O)NCCNCc1cc(C)ccc1F ZINC001128245936 780368394 /nfs/dbraw/zinc/36/83/94/780368394.db2.gz MRVLFGYIVYPIMV-UHFFFAOYSA-N 0 1 292.398 2.942 20 30 CFEDMN C=CC(C)(C)CC(=O)NCCNCc1cc(F)ccc1F ZINC001128242299 780369858 /nfs/dbraw/zinc/36/98/58/780369858.db2.gz MJLGMIDUZRKIOB-UHFFFAOYSA-N 0 1 296.361 2.773 20 30 CFEDMN N#Cc1c2c(cnc1-c1ccc(O)c(F)c1)CCC2 ZINC001240785699 780440151 /nfs/dbraw/zinc/44/01/51/780440151.db2.gz BPDHFJPNPLMLLM-UHFFFAOYSA-N 0 1 254.264 2.954 20 30 CFEDMN COC(=O)c1ccc(-c2ccc(O)c(F)c2)c(C#N)c1 ZINC001240785629 780440663 /nfs/dbraw/zinc/44/06/63/780440663.db2.gz JZIMOQGKRNSFPP-UHFFFAOYSA-N 0 1 271.247 2.857 20 30 CFEDMN Cc1cnc(-c2ccc(N3CCN(C)CC3)cc2)c(C#N)c1 ZINC001240849323 780476011 /nfs/dbraw/zinc/47/60/11/780476011.db2.gz PRXHQLXXTRTDCP-UHFFFAOYSA-N 0 1 292.386 2.681 20 30 CFEDMN CN1CCN(c2ccc(-c3ncccc3CC#N)cc2)CC1 ZINC001240850035 780476381 /nfs/dbraw/zinc/47/63/81/780476381.db2.gz WZUIVCANBRCDEC-UHFFFAOYSA-N 0 1 292.386 2.566 20 30 CFEDMN CN1CCN(c2ccc(-c3cncc(F)c3C#N)cc2)CC1 ZINC001240854546 780479773 /nfs/dbraw/zinc/47/97/73/780479773.db2.gz CNFIASXYSHURHP-UHFFFAOYSA-N 0 1 296.349 2.511 20 30 CFEDMN C=CCN1CC[C@@H](N(C)C(=O)[C@H]2CCC(C)=C(C)C2)C1 ZINC001033104915 780564423 /nfs/dbraw/zinc/56/44/23/780564423.db2.gz BWFBGHHEWZHUDT-JKSUJKDBSA-N 0 1 276.424 2.842 20 30 CFEDMN C#CC[N@@H+]1CC[C@@H](N(C)C(=O)c2ccccc2C(C)C)C1 ZINC001033129098 780577418 /nfs/dbraw/zinc/57/74/18/780577418.db2.gz WZTLTDWQRCBXBF-OAHLLOKOSA-N 0 1 284.403 2.590 20 30 CFEDMN C#CCN1CC[C@@H](N(C)C(=O)c2ccccc2C(C)C)C1 ZINC001033129098 780577428 /nfs/dbraw/zinc/57/74/28/780577428.db2.gz WZTLTDWQRCBXBF-OAHLLOKOSA-N 0 1 284.403 2.590 20 30 CFEDMN C#CC[N@@H+]1CC[C@@H](N(C)C(=O)c2ccc(C3CCC3)cc2)C1 ZINC001033130682 780578007 /nfs/dbraw/zinc/57/80/07/780578007.db2.gz HIFWTHQFAVKKIF-GOSISDBHSA-N 0 1 296.414 2.734 20 30 CFEDMN C#CCN1CC[C@@H](N(C)C(=O)c2ccc(C3CCC3)cc2)C1 ZINC001033130682 780578017 /nfs/dbraw/zinc/57/80/17/780578017.db2.gz HIFWTHQFAVKKIF-GOSISDBHSA-N 0 1 296.414 2.734 20 30 CFEDMN C=CCN1CC[C@@H](N(C)C(=O)c2oc(C(F)F)cc2C)C1 ZINC001033166598 780588870 /nfs/dbraw/zinc/58/88/70/780588870.db2.gz UWJINWAWIKPHDL-LLVKDONJSA-N 0 1 298.333 2.858 20 30 CFEDMN C=CCN1CC[C@H](N(C)C(=O)c2cc(F)c(C)cc2F)C1 ZINC001033170476 780589380 /nfs/dbraw/zinc/58/93/80/780589380.db2.gz SOLAOKHWDXZQRE-LBPRGKRZSA-N 0 1 294.345 2.606 20 30 CFEDMN C=CCN1CC[C@H](N(C)C(=O)c2cscc2Cl)C1 ZINC001033168862 780589777 /nfs/dbraw/zinc/58/97/77/780589777.db2.gz GQLBMCXUYVOXQG-JTQLQIEISA-N 0 1 284.812 2.734 20 30 CFEDMN Cc1ccc(-c2cc3[nH]cnc3c(C#N)n2)c(O)c1 ZINC001241031100 780604306 /nfs/dbraw/zinc/60/43/06/780604306.db2.gz YGDYPJSUNOTMKF-UHFFFAOYSA-N 0 1 250.261 2.511 20 30 CFEDMN CCOC(=O)c1cnc(-c2ccc(C)cc2O)c(C#N)c1 ZINC001241038535 780608021 /nfs/dbraw/zinc/60/80/21/780608021.db2.gz SIOJKAYVYLFPJO-UHFFFAOYSA-N 0 1 282.299 2.811 20 30 CFEDMN C#CCN1CC[C@H](N(C)C(=O)Cc2cccc(C(C)C)c2)C1 ZINC001033227848 780622919 /nfs/dbraw/zinc/62/29/19/780622919.db2.gz FTINGGHZGSTSRD-SFHVURJKSA-N 0 1 298.430 2.518 20 30 CFEDMN CC#CCN1CC[C@@H](N(C)C(=O)c2ccccc2CCC)C1 ZINC001033253356 780631269 /nfs/dbraw/zinc/63/12/69/780631269.db2.gz KNROEONIVFNACZ-QGZVFWFLSA-N 0 1 298.430 2.809 20 30 CFEDMN CNc1ccc(Nc2sc3c(c2C#N)CCN(C)C3)cn1 ZINC001203448763 780636867 /nfs/dbraw/zinc/63/68/67/780636867.db2.gz IZDIDOQSTRHKRI-UHFFFAOYSA-N 0 1 299.403 2.788 20 30 CFEDMN N#Cc1cnc2ccc(-c3c(F)cc(O)cc3F)cn12 ZINC001241123300 780652209 /nfs/dbraw/zinc/65/22/09/780652209.db2.gz ZXQJXSWWLXIRDY-UHFFFAOYSA-N 0 1 271.226 2.857 20 30 CFEDMN CC#CCN1CC[C@H](N(C)C(=O)c2ccc(CCC)cc2)C1 ZINC001033370587 780668142 /nfs/dbraw/zinc/66/81/42/780668142.db2.gz SBLWKTICTKOYFT-SFHVURJKSA-N 0 1 298.430 2.809 20 30 CFEDMN C=CCN1CC[C@H](N(C)C(=O)c2c(F)ccc(C)c2F)C1 ZINC001033386651 780673962 /nfs/dbraw/zinc/67/39/62/780673962.db2.gz BRZHAKJLOPLVGU-LBPRGKRZSA-N 0 1 294.345 2.606 20 30 CFEDMN C=CCN1CC[C@H](N(C)C(=O)c2ccc(C)c(Cl)c2)C1 ZINC001033386002 780674140 /nfs/dbraw/zinc/67/41/40/780674140.db2.gz YAHZDZWINVZIRC-AWEZNQCLSA-N 0 1 292.810 2.981 20 30 CFEDMN CCOC(=O)c1cc2ccc(-c3ccnc(C#N)c3)[nH]c-2n1 ZINC001241182993 780687951 /nfs/dbraw/zinc/68/79/51/780687951.db2.gz GFDMZINEJGZNOU-UHFFFAOYSA-N 0 1 292.298 2.673 20 30 CFEDMN CC(=O)c1ccccc1-c1cc2[nH]cnc2c(C#N)n1 ZINC001241202779 780701810 /nfs/dbraw/zinc/70/18/10/780701810.db2.gz BPJPBTKHVOUVRH-UHFFFAOYSA-N 0 1 262.272 2.699 20 30 CFEDMN C#CCN1CC[C@H](N(C)C(=O)c2cccc3ccsc32)C1 ZINC001033556510 780713443 /nfs/dbraw/zinc/71/34/43/780713443.db2.gz BZCAPENSCIQTAY-AWEZNQCLSA-N 0 1 298.411 2.681 20 30 CFEDMN C=CCN1CC[C@H](N(C)C(=O)c2ccc3c(c2)CCCC3)C1 ZINC001033639174 780739007 /nfs/dbraw/zinc/73/90/07/780739007.db2.gz CZBKXOUUTSEJBS-SFHVURJKSA-N 0 1 298.430 2.898 20 30 CFEDMN CC#CCN1CC[C@@H](N(C)C(=O)c2ccc(C3CC3)cc2)C1 ZINC001033678378 780747605 /nfs/dbraw/zinc/74/76/05/780747605.db2.gz IWZRJFJURUJQNE-GOSISDBHSA-N 0 1 296.414 2.734 20 30 CFEDMN CC#CCN1CC[C@H](N(C)C(=O)[C@H]2CCCCC2(C)C)C1 ZINC001033698787 780755952 /nfs/dbraw/zinc/75/59/52/780755952.db2.gz YHRAKNWLKGSVFK-JKSUJKDBSA-N 0 1 290.451 2.759 20 30 CFEDMN C=C(C)C[N@@H+]1CC[C@H](N(CC)C(=O)c2cccc(C)n2)C1 ZINC001033751002 780776997 /nfs/dbraw/zinc/77/69/97/780776997.db2.gz ZNRCGMFSQFNFMA-HNNXBMFYSA-N 0 1 287.407 2.503 20 30 CFEDMN CC#CCN1CC[C@H](N(CC)C(=O)C2CCCCCC2)C1 ZINC001033769667 780781154 /nfs/dbraw/zinc/78/11/54/780781154.db2.gz TXSSTPHTAJGKIK-KRWDZBQOSA-N 0 1 290.451 2.903 20 30 CFEDMN C=C(C)C[N@@H+]1CC[C@H](N(CC)C(=O)c2ccncc2C)C1 ZINC001033824601 780798286 /nfs/dbraw/zinc/79/82/86/780798286.db2.gz DTAMGJKHIQPQBY-HNNXBMFYSA-N 0 1 287.407 2.503 20 30 CFEDMN C=CCN1CC[C@H](N(CC)C(=O)c2cc(C)cs2)C1 ZINC001033830661 780799841 /nfs/dbraw/zinc/79/98/41/780799841.db2.gz SFYPUWPVBMZWOS-ZDUSSCGKSA-N 0 1 278.421 2.779 20 30 CFEDMN C=CCN1CC[C@H](N(CC)C(=O)[C@H]2CCC(F)(F)C2)C1 ZINC001033858403 780809945 /nfs/dbraw/zinc/80/99/45/780809945.db2.gz VUCIEBINCMCZQA-STQMWFEESA-N 0 1 286.366 2.531 20 30 CFEDMN C#CCN1CC[C@@H](N(CC)C(=O)[C@H]2CC[C@H](CC)CC2)C1 ZINC001034020767 780857417 /nfs/dbraw/zinc/85/74/17/780857417.db2.gz MYENRWGXFXEBMI-BRWVUGGUSA-N 0 1 290.451 2.759 20 30 CFEDMN C=CCN1CC[C@H](N(CC)C(=O)c2ccc(C(F)F)o2)C1 ZINC001034030396 780860306 /nfs/dbraw/zinc/86/03/06/780860306.db2.gz AOTBMLNRAXILSF-NSHDSACASA-N 0 1 298.333 2.940 20 30 CFEDMN C#CCC[N@@H+]1CC[C@H](N(CC)C(=O)c2ccc(C)cc2)C1 ZINC001034022581 780861906 /nfs/dbraw/zinc/86/19/06/780861906.db2.gz DIGGSJRQEWQOHI-KRWDZBQOSA-N 0 1 284.403 2.555 20 30 CFEDMN C=CCN1CCCC[C@H](NC(=O)c2ccccc2F)C1 ZINC001034073487 780881871 /nfs/dbraw/zinc/88/18/71/780881871.db2.gz JTCCTIUEDRCCIC-ZDUSSCGKSA-N 0 1 276.355 2.596 20 30 CFEDMN C=CCN1CCCC[C@H](NC(=O)c2cccs2)C1 ZINC001034084827 780881951 /nfs/dbraw/zinc/88/19/51/780881951.db2.gz LDNQTIOGMSBCED-LBPRGKRZSA-N 0 1 264.394 2.518 20 30 CFEDMN C=CCN1CCCC[C@H](NC(=O)c2ccsc2)C1 ZINC001034090206 780886041 /nfs/dbraw/zinc/88/60/41/780886041.db2.gz HTRREXMHRMLISZ-ZDUSSCGKSA-N 0 1 264.394 2.518 20 30 CFEDMN C#C[C@@H](NCc1cccc2c1OCCO2)C(C)(C)C ZINC000702282870 780909627 /nfs/dbraw/zinc/90/96/27/780909627.db2.gz WQSFHNFRPRDTTB-CQSZACIVSA-N 0 1 259.349 2.595 20 30 CFEDMN C=CCN1CCCC[C@@H](NC(=O)c2cc(C(C)C)on2)C1 ZINC001034326840 780945974 /nfs/dbraw/zinc/94/59/74/780945974.db2.gz BMEWFLOGEPNILM-CYBMUJFWSA-N 0 1 291.395 2.568 20 30 CFEDMN CC#CCN1CCCC[C@H](NC(=O)[C@@H]2CCCC2(C)C)C1 ZINC001034355471 780950748 /nfs/dbraw/zinc/95/07/48/780950748.db2.gz PTLDKJCAKCQGHF-HOTGVXAUSA-N 0 1 290.451 2.807 20 30 CFEDMN CC#CC[N@H+]1CCCC[C@@H](NC(=O)C[C@H]2CC=CCC2)C1 ZINC001034350387 780953976 /nfs/dbraw/zinc/95/39/76/780953976.db2.gz DSQZRGUEKVFCDZ-DLBZAZTESA-N 0 1 288.435 2.727 20 30 CFEDMN CC#CCN1CCCC[C@@H](NC(=O)C[C@H]2CC=CCC2)C1 ZINC001034350387 780953983 /nfs/dbraw/zinc/95/39/83/780953983.db2.gz DSQZRGUEKVFCDZ-DLBZAZTESA-N 0 1 288.435 2.727 20 30 CFEDMN CC#CCN1CCCC[C@H](NC(=O)C2CCC(F)CC2)C1 ZINC001034387339 780962323 /nfs/dbraw/zinc/96/23/23/780962323.db2.gz NMSXWCUIIRCZSN-GPANFISMSA-N 0 1 294.414 2.509 20 30 CFEDMN C=CCN1CCCC[C@@H](NC(=O)[C@H](F)c2ccccc2)C1 ZINC001034424528 780968526 /nfs/dbraw/zinc/96/85/26/780968526.db2.gz NDWGTAOWFOBPTC-HZPDHXFCSA-N 0 1 290.382 2.854 20 30 CFEDMN CC#CCN1CCCC[C@H](NC(=O)[C@@H]2CC23CCCC3)C1 ZINC001034477825 780980748 /nfs/dbraw/zinc/98/07/48/780980748.db2.gz QPKRJSFWJHQMSR-HOTGVXAUSA-N 0 1 288.435 2.561 20 30 CFEDMN CC#CCN1CCCC[C@H](NC(=O)c2cc(C)cc(C)c2)C1 ZINC001034504200 780986832 /nfs/dbraw/zinc/98/68/32/780986832.db2.gz BTCZJHLJUMOENJ-SFHVURJKSA-N 0 1 298.430 2.911 20 30 CFEDMN C=CCN1CCCC[C@H](NC(=O)c2ccc(C3CC3)cn2)C1 ZINC001034510099 780988511 /nfs/dbraw/zinc/98/85/11/780988511.db2.gz BRPNRVOKRKIFCT-INIZCTEOSA-N 0 1 299.418 2.729 20 30 CFEDMN C#CCN1CCCC[C@H](NC(=O)[C@@H](C)c2ccccc2C)C1 ZINC001034537097 780994290 /nfs/dbraw/zinc/99/42/90/780994290.db2.gz KPUDVFIKBGOHBJ-IRXDYDNUSA-N 0 1 298.430 2.702 20 30 CFEDMN C#CCN1CCCC[C@@H](NC(=O)c2cccc(C3CC3)c2)C1 ZINC001034544330 780997429 /nfs/dbraw/zinc/99/74/29/780997429.db2.gz NORDYYIENHEAJQ-GOSISDBHSA-N 0 1 296.414 2.782 20 30 CFEDMN CN1CCN(c2cccc(-c3cc(F)cc(C#N)c3)n2)CC1 ZINC001241656603 781050985 /nfs/dbraw/zinc/05/09/85/781050985.db2.gz KKFLNPITJWAQBW-UHFFFAOYSA-N 0 1 296.349 2.511 20 30 CFEDMN CN1CCN(c2ccc(-c3cc(F)cc(C#N)c3)cn2)CC1 ZINC001241657864 781051959 /nfs/dbraw/zinc/05/19/59/781051959.db2.gz LIKABXHVZVHZNU-UHFFFAOYSA-N 0 1 296.349 2.511 20 30 CFEDMN Cc1[nH]nc2ccc(-c3ccc(C#N)c(F)n3)cc12 ZINC001241667564 781059889 /nfs/dbraw/zinc/05/98/89/781059889.db2.gz OSROPJVWFNAXGF-UHFFFAOYSA-N 0 1 252.252 2.944 20 30 CFEDMN Cc1[nH]nc2ccc(-c3cncc(F)c3C#N)cc12 ZINC001241668372 781062060 /nfs/dbraw/zinc/06/20/60/781062060.db2.gz BGMWFXWWUQLPBE-UHFFFAOYSA-N 0 1 252.252 2.944 20 30 CFEDMN N#Cc1nc(-c2cnn(-c3ccccc3)c2)cc2[nH]cnc21 ZINC001241753227 781111248 /nfs/dbraw/zinc/11/12/48/781111248.db2.gz IJEPFFYUBISFFH-UHFFFAOYSA-N 0 1 286.298 2.682 20 30 CFEDMN C=CCN1CC2(C1)CCN(C(=O)C[C@H]1CCC[C@@H]1C)CC2 ZINC001035714178 781160837 /nfs/dbraw/zinc/16/08/37/781160837.db2.gz FHJHOJDJSHTBBG-JKSUJKDBSA-N 0 1 290.451 2.923 20 30 CFEDMN C=CCN1CC2(C1)CCN(C(=O)[C@H](C)C1CCC1)CC2 ZINC001035729689 781161901 /nfs/dbraw/zinc/16/19/01/781161901.db2.gz HQKYOISIXJNMRO-CQSZACIVSA-N 0 1 276.424 2.533 20 30 CFEDMN Cc1cc(-c2cc3[nH]cnc3c(C#N)n2)cc(C)c1N ZINC001241883027 781163905 /nfs/dbraw/zinc/16/39/05/781163905.db2.gz VEAJEAPLWFKYIY-UHFFFAOYSA-N 0 1 263.304 2.696 20 30 CFEDMN C=CCN1CC2(C1)CCN(C(=O)[C@@H]1C[C@H]1C(C)(C)C)CC2 ZINC001035745696 781166155 /nfs/dbraw/zinc/16/61/55/781166155.db2.gz FNFMJEMERKYOIS-HUUCEWRRSA-N 0 1 290.451 2.779 20 30 CFEDMN C=CCN1CC2(C1)CCN(C(=O)[C@@](C)(C=C)CC)CC2 ZINC001035783058 781167680 /nfs/dbraw/zinc/16/76/80/781167680.db2.gz ZSCZPCPKVCPPHK-INIZCTEOSA-N 0 1 276.424 2.699 20 30 CFEDMN C=CCN1CC2(C1)CCN(C(=O)[C@H]1C[C@]1(C)CC)CC2 ZINC001035826889 781171956 /nfs/dbraw/zinc/17/19/56/781171956.db2.gz JUPQCSUSBMCGLS-ZBFHGGJFSA-N 0 1 276.424 2.533 20 30 CFEDMN C=CCN1CC2(C1)CCN(C(=O)[C@H]1C[C@@]1(C)CC)CC2 ZINC001035826882 781172036 /nfs/dbraw/zinc/17/20/36/781172036.db2.gz JUPQCSUSBMCGLS-GDBMZVCRSA-N 0 1 276.424 2.533 20 30 CFEDMN COc1c(C#N)c(F)ccc1-c1ccc2[nH]nnc2c1 ZINC001241944752 781200053 /nfs/dbraw/zinc/20/00/53/781200053.db2.gz SJNOLORSUXBAOC-UHFFFAOYSA-N 0 1 268.251 2.644 20 30 CFEDMN COc1c(C#N)c(F)ccc1-c1ccc2nn[nH]c2c1 ZINC001241944752 781200061 /nfs/dbraw/zinc/20/00/61/781200061.db2.gz SJNOLORSUXBAOC-UHFFFAOYSA-N 0 1 268.251 2.644 20 30 CFEDMN CN(C)Cc1cc(-c2cncc(C#N)c2)ccc1F ZINC001242275864 781359714 /nfs/dbraw/zinc/35/97/14/781359714.db2.gz YRTZXYUKFVICQX-UHFFFAOYSA-N 0 1 255.296 2.821 20 30 CFEDMN CCOC(=O)c1cc2ncc(-c3cccnc3C#N)cc2[nH]1 ZINC001242310236 781387830 /nfs/dbraw/zinc/38/78/30/781387830.db2.gz AJFOFLBXZYUAAS-UHFFFAOYSA-N 0 1 292.298 2.673 20 30 CFEDMN C=C(Cl)CN1CC[C@@H]2CN(C(=O)/C=C/C3CC3)CC[C@@H]21 ZINC001036676201 781399982 /nfs/dbraw/zinc/39/99/82/781399982.db2.gz ISFHHUBEVXIXHT-YJQVQVLHSA-N 0 1 294.826 2.628 20 30 CFEDMN Cc1cc(C#N)cc(-c2cc(N3CCOCC3)ccn2)c1 ZINC001242476491 781530198 /nfs/dbraw/zinc/53/01/98/781530198.db2.gz FLQLEWKJTRMYOP-UHFFFAOYSA-N 0 1 279.343 2.765 20 30 CFEDMN CC#CCN1C[C@@H](C)[C@H](NC(=O)[C@H]2CCC(C)=C(C)C2)C1 ZINC001079751399 781617887 /nfs/dbraw/zinc/61/78/87/781617887.db2.gz TYVNEYSLPQRMRS-IXDOHACOSA-N 0 1 288.435 2.583 20 30 CFEDMN C=CCN1C[C@@H](C)[C@H](NC(=O)c2csc(C(C)C)n2)C1 ZINC001080626554 781672580 /nfs/dbraw/zinc/67/25/80/781672580.db2.gz SWVDQSLHSRUCMO-VXGBXAGGSA-N 0 1 293.436 2.503 20 30 CFEDMN C#CCN1C[C@@H](C)[C@H](NC(=O)c2ccc3sccc3c2)C1 ZINC001080701231 781674761 /nfs/dbraw/zinc/67/47/61/781674761.db2.gz KDMJCNATYSSOIG-IUODEOHRSA-N 0 1 298.411 2.585 20 30 CFEDMN C#CCN1C[C@@H](C)[C@H](NC(=O)C[C@H]2CCCC(C)(C)C2)C1 ZINC001080780776 781676701 /nfs/dbraw/zinc/67/67/01/781676701.db2.gz BTIFANXSTNBVFD-BZUAXINKSA-N 0 1 290.451 2.663 20 30 CFEDMN C=CCN1C[C@@H](C)[C@H](NC(=O)c2sccc2C2CC2)C1 ZINC001080894014 781682989 /nfs/dbraw/zinc/68/29/89/781682989.db2.gz YDBNWVZPLMNTBN-BXUZGUMPSA-N 0 1 290.432 2.862 20 30 CFEDMN CC#CCN1C[C@@H](C)[C@H](NC(=O)[C@@H](C)c2ccccc2C)C1 ZINC001080987193 781689740 /nfs/dbraw/zinc/68/97/40/781689740.db2.gz QWKHYZLHPIWETE-SOLBZPMBSA-N 0 1 298.430 2.558 20 30 CFEDMN C=CCN1C[C@@H](C)[C@H](NC(=O)c2sccc2CC)C1 ZINC001080991029 781692290 /nfs/dbraw/zinc/69/22/90/781692290.db2.gz QWOADZYOZVZYTG-DGCLKSJQSA-N 0 1 278.421 2.547 20 30 CFEDMN C#CCN1C[C@@H](C)[C@H](NC(=O)[C@]2(C)CCC(C)=C(C)C2)C1 ZINC001081020129 781695902 /nfs/dbraw/zinc/69/59/02/781695902.db2.gz SLNFTLXHQVYHSC-JFIYKMOQSA-N 0 1 288.435 2.583 20 30 CFEDMN CC[C@H](C)C(=O)N1C[C@@H](C)[C@H](NCc2ccccc2C#N)C1 ZINC001082428379 781728431 /nfs/dbraw/zinc/72/84/31/781728431.db2.gz PAZAMCOZIPMRKK-JJRVBVJISA-N 0 1 299.418 2.541 20 30 CFEDMN CCCCCCCNC(=O)c1ccn(-c2ccncc2)n1 ZINC001118942202 781734719 /nfs/dbraw/zinc/73/47/19/781734719.db2.gz FCELCQZRXKIDSM-UHFFFAOYSA-N 0 1 286.379 2.968 20 30 CFEDMN Cc1cc(-c2ccc(N3CCN(C)CC3)nc2)ccc1C#N ZINC001242768683 781751725 /nfs/dbraw/zinc/75/17/25/781751725.db2.gz WODFCZKICOMBAH-UHFFFAOYSA-N 0 1 292.386 2.681 20 30 CFEDMN COC(=O)c1nc2ccc(-c3ccc(C#N)c(C)c3)[nH]c-2n1 ZINC001242768353 781752253 /nfs/dbraw/zinc/75/22/53/781752253.db2.gz UZWRCCPLXQFTGS-UHFFFAOYSA-N 0 1 292.298 2.543 20 30 CFEDMN C=C(C)CN1CC[C@@H]2CN(C(=O)c3oc(C)cc3C)[C@@H]2C1 ZINC001084262729 781784110 /nfs/dbraw/zinc/78/41/10/781784110.db2.gz CKMRKURGJZSJKQ-HUUCEWRRSA-N 0 1 288.391 2.619 20 30 CFEDMN C=C(C)C[N@H+]1CC[C@@H]2CN(C(=O)C3(C(C)(F)F)CC3)[C@@H]2C1 ZINC001084667201 781816720 /nfs/dbraw/zinc/81/67/20/781816720.db2.gz SJEITQIOFYSURK-CHWSQXEVSA-N 0 1 298.377 2.531 20 30 CFEDMN C=C(C)CN1CC[C@@H]2CN(C(=O)C3(C(C)(F)F)CC3)[C@@H]2C1 ZINC001084667201 781816729 /nfs/dbraw/zinc/81/67/29/781816729.db2.gz SJEITQIOFYSURK-CHWSQXEVSA-N 0 1 298.377 2.531 20 30 CFEDMN CC#CCN1CC(C)(C)CC[C@@H]1CNC(=O)[C@H](C)CC ZINC001098915500 781833296 /nfs/dbraw/zinc/83/32/96/781833296.db2.gz JNBJCUZRSSRXOJ-HUUCEWRRSA-N 0 1 278.440 2.663 20 30 CFEDMN C=C(Cl)CNCCN(CC)C(=O)c1ccc(C)s1 ZINC001273242862 781862193 /nfs/dbraw/zinc/86/21/93/781862193.db2.gz IBWPQEHFCKMHGV-UHFFFAOYSA-N 0 1 286.828 2.861 20 30 CFEDMN CCn1nccc1CNC1(c2ccc(C#N)cc2)CCC1 ZINC000594518509 349440160 /nfs/dbraw/zinc/44/01/60/349440160.db2.gz HCRGCBFCGWXAHX-UHFFFAOYSA-N 0 1 280.375 2.944 20 30 CFEDMN CC(C)(C)c1nc(CSc2ccncc2C#N)n[nH]1 ZINC000594911083 349502817 /nfs/dbraw/zinc/50/28/17/349502817.db2.gz YWIZULPAEJBVTB-UHFFFAOYSA-N 0 1 273.365 2.661 20 30 CFEDMN C#CCCN(C)Cc1csc(Br)c1 ZINC000082493900 178059582 /nfs/dbraw/zinc/05/95/82/178059582.db2.gz ZHLSQXLQBVMSSY-UHFFFAOYSA-N 0 1 258.184 2.966 20 30 CFEDMN N#Cc1ccc(C2(NCc3cnc4n3CCC4)CCC2)cc1 ZINC000594950350 349525304 /nfs/dbraw/zinc/52/53/04/349525304.db2.gz KUXAISRMLYTLSM-UHFFFAOYSA-N 0 1 292.386 2.870 20 30 CFEDMN CC(C)(NCc1cc(C(N)=O)cs1)c1cccc(C#N)c1 ZINC000594966941 349534295 /nfs/dbraw/zinc/53/42/95/349534295.db2.gz FCTVYYJPGGKFTB-UHFFFAOYSA-N 0 1 299.399 2.744 20 30 CFEDMN Cn1ncc(C2CC2)c1CNCc1cc(C#N)cs1 ZINC000594983585 349538684 /nfs/dbraw/zinc/53/86/84/349538684.db2.gz FYAFHKYCDMVPJF-UHFFFAOYSA-N 0 1 272.377 2.520 20 30 CFEDMN C=C[C@@H](C)N[C@H](C)c1ccc([N+](=O)[O-])cc1OC ZINC000595023521 349554122 /nfs/dbraw/zinc/55/41/22/349554122.db2.gz ZXCSISSMQOZDAQ-NXEZZACHSA-N 0 1 250.298 2.829 20 30 CFEDMN N#Cc1cccc(C2(N[C@@H]3CCCn4nccc43)CC2)c1 ZINC000595029684 349556918 /nfs/dbraw/zinc/55/69/18/349556918.db2.gz KHEPCKPZQVGLQC-OAHLLOKOSA-N 0 1 278.359 2.869 20 30 CFEDMN N#CC1(CNCc2ccc(-n3cncn3)cc2)CCCCC1 ZINC000594994206 349542330 /nfs/dbraw/zinc/54/23/30/349542330.db2.gz HYURQYSORLEKJC-UHFFFAOYSA-N 0 1 295.390 2.831 20 30 CFEDMN C=CCCSCCN[C@@H](c1nnc[nH]1)c1ccccc1 ZINC000595057159 349568682 /nfs/dbraw/zinc/56/86/82/349568682.db2.gz BBYSJBIKMXCCML-CQSZACIVSA-N 0 1 288.420 2.793 20 30 CFEDMN Cc1n[nH]c([C@@H]2CCCN([C@H](C#N)c3ccccc3)C2)n1 ZINC000595346228 349607212 /nfs/dbraw/zinc/60/72/12/349607212.db2.gz HITRCZLMTXESCG-HUUCEWRRSA-N 0 1 281.363 2.557 20 30 CFEDMN Cc1nnc([C@@H]2CCCN([C@H](C#N)c3ccccc3)C2)[nH]1 ZINC000595346228 349607215 /nfs/dbraw/zinc/60/72/15/349607215.db2.gz HITRCZLMTXESCG-HUUCEWRRSA-N 0 1 281.363 2.557 20 30 CFEDMN Cc1n[nH]c([C@H]2CCCN([C@H](C#N)c3ccccc3)C2)n1 ZINC000595346230 349607265 /nfs/dbraw/zinc/60/72/65/349607265.db2.gz HITRCZLMTXESCG-LSDHHAIUSA-N 0 1 281.363 2.557 20 30 CFEDMN Cc1nnc([C@H]2CCCN([C@H](C#N)c3ccccc3)C2)[nH]1 ZINC000595346230 349607268 /nfs/dbraw/zinc/60/72/68/349607268.db2.gz HITRCZLMTXESCG-LSDHHAIUSA-N 0 1 281.363 2.557 20 30 CFEDMN CCc1nocc1CN[C@H](C)c1ccc(C#N)cc1 ZINC000595411369 349618893 /nfs/dbraw/zinc/61/88/93/349618893.db2.gz HVXWXDYXGKTVDO-LLVKDONJSA-N 0 1 255.321 2.959 20 30 CFEDMN CO[C@H](CN1CCC[C@@](C)(C#N)C1)C1CCCC1 ZINC000595425082 349621550 /nfs/dbraw/zinc/62/15/50/349621550.db2.gz IYZGFILPGRAPSE-CABCVRRESA-N 0 1 250.386 2.817 20 30 CFEDMN C[C@@H](NCc1ccnc(C#N)c1)c1ccc(C#N)cc1 ZINC000068752829 346867584 /nfs/dbraw/zinc/86/75/84/346867584.db2.gz KVCSMMHNRDJMEL-GFCCVEGCSA-N 0 1 262.316 2.676 20 30 CFEDMN C[C@@H]1CN(CCc2ccc(C#N)cc2)C[C@@H](C2CC2)O1 ZINC000595470817 349637087 /nfs/dbraw/zinc/63/70/87/349637087.db2.gz XBBJQCUPHYZVIJ-DYVFJYSZSA-N 0 1 270.376 2.600 20 30 CFEDMN CN(CCC(C)(C)C#N)[C@H](c1nnc[nH]1)c1ccccc1 ZINC000595522413 349650067 /nfs/dbraw/zinc/65/00/67/349650067.db2.gz BHCISFIJSFPNKZ-AWEZNQCLSA-N 0 1 283.379 2.766 20 30 CFEDMN N#CC[C@]1(O)CCN(CCSc2cccc(Cl)c2)C1 ZINC000595557574 349658995 /nfs/dbraw/zinc/65/89/95/349658995.db2.gz KPJFPNWQTWURLI-AWEZNQCLSA-N 0 1 296.823 2.783 20 30 CFEDMN N#Cc1cccc(OCC[N@H+]2C[C@@H]3CCCC[C@@H]32)c1 ZINC000595566942 349662494 /nfs/dbraw/zinc/66/24/94/349662494.db2.gz PMAPJFIHZWPXIV-HOCLYGCPSA-N 0 1 256.349 2.811 20 30 CFEDMN COC(=O)c1cccc(CN2CCC[C@@H](CC#N)C2)c1 ZINC000595610481 349674484 /nfs/dbraw/zinc/67/44/84/349674484.db2.gz ZQEJTWLYVMCSCQ-ZDUSSCGKSA-N 0 1 272.348 2.599 20 30 CFEDMN N#CC[C@@H]1CCCN(CCOc2ccccc2F)C1 ZINC000595609927 349674608 /nfs/dbraw/zinc/67/46/08/349674608.db2.gz QJKUOIVHDDYURX-ZDUSSCGKSA-N 0 1 262.328 2.830 20 30 CFEDMN CN(CC[N@H+]1CCC[C@@H](CC#N)C1)c1ccccc1 ZINC000595618158 349678028 /nfs/dbraw/zinc/67/80/28/349678028.db2.gz XWDOCXHVLLKCQM-HNNXBMFYSA-N 0 1 257.381 2.748 20 30 CFEDMN C=C(C)CN(CC)C(=O)CNC(C)(C)c1cccc(C#N)c1 ZINC000595643220 349687472 /nfs/dbraw/zinc/68/74/72/349687472.db2.gz VUQNQTYDWGZXAV-UHFFFAOYSA-N 0 1 299.418 2.808 20 30 CFEDMN CC(C)(C)CN1CCC[C@@H](N2CCC[C@H](CC#N)C2)C1=O ZINC000595620021 349679435 /nfs/dbraw/zinc/67/94/35/349679435.db2.gz JRKAVDCEYLITDN-HUUCEWRRSA-N 0 1 291.439 2.649 20 30 CFEDMN CC(C)(C)CN1CCC[C@H](N2CCC[C@H](CC#N)C2)C1=O ZINC000595620019 349679844 /nfs/dbraw/zinc/67/98/44/349679844.db2.gz JRKAVDCEYLITDN-CABCVRRESA-N 0 1 291.439 2.649 20 30 CFEDMN CC[C@@](C)(C#N)C(=O)NCCN1CC=C(C(C)(C)C)CC1 ZINC000354895451 529488940 /nfs/dbraw/zinc/48/89/40/529488940.db2.gz ZIIFULJBZVHLSP-KRWDZBQOSA-N 0 1 291.439 2.721 20 30 CFEDMN C=C(CC)CN1C[C@H](C(=O)OC)C[C@H](C(F)(F)F)C1 ZINC000595627664 349682586 /nfs/dbraw/zinc/68/25/86/349682586.db2.gz UMCFCTTZPOXJEJ-MNOVXSKESA-N 0 1 279.302 2.626 20 30 CFEDMN Cc1nnsc1CNC(C)(C)c1cccc(C#N)c1 ZINC000595632597 349683409 /nfs/dbraw/zinc/68/34/09/349683409.db2.gz GLLGWIVMVIKANL-UHFFFAOYSA-N 0 1 272.377 2.743 20 30 CFEDMN N#Cc1ccc(CN2CCC(C3CCC3)CC2)nc1 ZINC000595659455 349693127 /nfs/dbraw/zinc/69/31/27/349693127.db2.gz MSVUWZOBCDDFBX-UHFFFAOYSA-N 0 1 255.365 2.965 20 30 CFEDMN C=CC[C@@H]1CCCN(Cc2ccoc2C(=O)OC)C1 ZINC000595661384 349693642 /nfs/dbraw/zinc/69/36/42/349693642.db2.gz ZVXKIPMFJJTVCY-GFCCVEGCSA-N 0 1 263.337 2.854 20 30 CFEDMN CCc1cc(CCCN(CCC#N)CC2CC2)on1 ZINC000347730714 529527050 /nfs/dbraw/zinc/52/70/50/529527050.db2.gz CQKWVTSCXCALGF-UHFFFAOYSA-N 0 1 261.369 2.795 20 30 CFEDMN C[C@]12COC[C@@H]1CN(Cc1ccc(C#N)cc1Cl)C2 ZINC000595755650 349723430 /nfs/dbraw/zinc/72/34/30/349723430.db2.gz CDNWDHDXQUJBBG-ZFWWWQNUSA-N 0 1 276.767 2.680 20 30 CFEDMN CCC1(CC)CCCN([C@H](C(N)=O)c2ccc(C#N)cc2)C1 ZINC000595753755 349724180 /nfs/dbraw/zinc/72/41/80/349724180.db2.gz XRJNNKOENYUKDW-INIZCTEOSA-N 0 1 299.418 2.987 20 30 CFEDMN CN(c1ccccc1)[C@H]1CCN(Cc2ccc(C#N)cn2)C1 ZINC000595829785 349744635 /nfs/dbraw/zinc/74/46/35/349744635.db2.gz YUYLNZBWCCKKDK-SFHVURJKSA-N 0 1 292.386 2.664 20 30 CFEDMN COc1cc(C#N)ccc1CN1CC[C@@H](C)O[C@@H](C)C1 ZINC000595781910 349731596 /nfs/dbraw/zinc/73/15/96/349731596.db2.gz VYEHSUFETRKHRA-OLZOCXBDSA-N 0 1 274.364 2.566 20 30 CFEDMN CC[C@H](NCCC(C)(C)C#N)c1nnc2n1CCCCC2 ZINC000595798815 349734673 /nfs/dbraw/zinc/73/46/73/349734673.db2.gz HGIJCOYKAIOYML-ZDUSSCGKSA-N 0 1 289.427 2.985 20 30 CFEDMN N#Cc1cnccc1CN1CCC[C@H]([C@@H]2CCCCO2)C1 ZINC000595791142 349735167 /nfs/dbraw/zinc/73/51/67/349735167.db2.gz ZTERCUJLVVQELL-RDJZCZTQSA-N 0 1 285.391 2.734 20 30 CFEDMN CN(CC(=O)Nc1sccc1C#N)C[C@H]1CC1(C)C ZINC000595907901 349766628 /nfs/dbraw/zinc/76/66/28/349766628.db2.gz CLECZXCJQAGEEQ-LLVKDONJSA-N 0 1 277.393 2.536 20 30 CFEDMN COc1cncc(/C=C/CCN2CC[C@@](C)(C#N)C2)c1 ZINC000595841883 349752500 /nfs/dbraw/zinc/75/25/00/349752500.db2.gz OYYKWMRJRSEVPX-WMHVBEDNSA-N 0 1 271.364 2.729 20 30 CFEDMN C=C1C[C@H]2CC[C@@H](C1)N2Cc1onc(C)c1[N+](=O)[O-] ZINC000595845457 349754141 /nfs/dbraw/zinc/75/41/41/349754141.db2.gz OOXMWHHROKALON-PHIMTYICSA-N 0 1 263.297 2.574 20 30 CFEDMN CC[C@H](C(=O)N[C@H]1CCC[C@H]1C#N)N(C)Cc1ccccc1 ZINC000354901733 529618191 /nfs/dbraw/zinc/61/81/91/529618191.db2.gz QXXZKFCKWXMVQG-YESZJQIVSA-N 0 1 299.418 2.705 20 30 CFEDMN C[C@@H](c1ccccc1)[N@H+]1CC[C@@H](Nc2c(C#N)cnn2C)C1 ZINC000596087463 349791106 /nfs/dbraw/zinc/79/11/06/349791106.db2.gz FSWUYQCZPQGLJX-XJKSGUPXSA-N 0 1 295.390 2.539 20 30 CFEDMN CC[C@H](N[C@@H]1CC[C@@H](C#N)C1)c1nnc2n1CCCCC2 ZINC000333102548 529660319 /nfs/dbraw/zinc/66/03/19/529660319.db2.gz QCZWENTZGSJJHZ-MCIONIFRSA-N 0 1 287.411 2.737 20 30 CFEDMN Cc1cc(C(=O)C(C#N)c2nnc3n2CCCCC3)c(C)o1 ZINC000072678707 346935719 /nfs/dbraw/zinc/93/57/19/346935719.db2.gz HXJDNNZMZAWZBK-CYBMUJFWSA-N 0 1 298.346 2.704 20 30 CFEDMN Cc1cc(C(=O)[C@@H](C#N)c2nnc3n2CCCCC3)c(C)o1 ZINC000072678707 346935721 /nfs/dbraw/zinc/93/57/21/346935721.db2.gz HXJDNNZMZAWZBK-CYBMUJFWSA-N 0 1 298.346 2.704 20 30 CFEDMN CC(C)=CCN1CCN(c2ccccc2C#N)CC1 ZINC000101554749 136392707 /nfs/dbraw/zinc/39/27/07/136392707.db2.gz UPJFDPNDZKMCDE-UHFFFAOYSA-N 0 1 255.365 2.646 20 30 CFEDMN CCN1C[C@@H](C)N(c2nc(C#N)c(Cl)s2)C[C@H]1C ZINC000596177512 349818370 /nfs/dbraw/zinc/81/83/70/349818370.db2.gz MLXZYYRMTNSYJS-RKDXNWHRSA-N 0 1 284.816 2.587 20 30 CFEDMN CCC[C@]1(C)CCCN([C@H](C(N)=O)c2ccc(C#N)cc2)C1 ZINC000072896279 346948067 /nfs/dbraw/zinc/94/80/67/346948067.db2.gz JQECKKCFEQSLRS-FUHWJXTLSA-N 0 1 299.418 2.987 20 30 CFEDMN CO[C@@](C)([C@H](C)Nc1nc(C#N)c(Cl)s1)C1CC1 ZINC000596271826 349849205 /nfs/dbraw/zinc/84/92/05/349849205.db2.gz CPEVGRUEPOKDEF-MADCSZMMSA-N 0 1 285.800 2.706 20 30 CFEDMN CC(C)(C)N1CC[C@@H]1CNc1ncc(C#N)cc1Cl ZINC000596305798 349857424 /nfs/dbraw/zinc/85/74/24/349857424.db2.gz ANIYHAVYUKITEL-LLVKDONJSA-N 0 1 278.787 2.891 20 30 CFEDMN CC(C)(C)[N@@H+]1CC[C@H](CN=c2[n-]c(C#N)c(Cl)s2)C1 ZINC000596306776 349857763 /nfs/dbraw/zinc/85/77/63/349857763.db2.gz IAICROOUVXJRSK-SECBINFHSA-N 0 1 298.843 2.622 20 30 CFEDMN CC(C)(C)[N@H+]1CC[C@H](CN=c2[n-]c(C#N)c(Cl)s2)C1 ZINC000596306776 349857765 /nfs/dbraw/zinc/85/77/65/349857765.db2.gz IAICROOUVXJRSK-SECBINFHSA-N 0 1 298.843 2.622 20 30 CFEDMN CC[C@@H](COCC1CC1)Nc1nc(C#N)c(Cl)s1 ZINC000596325576 349864003 /nfs/dbraw/zinc/86/40/03/349864003.db2.gz BDRXZYFZTVRGKC-VIFPVBQESA-N 0 1 285.800 2.707 20 30 CFEDMN CCN(CCc1ccc2c(c1)CCO2)C[C@H](C)C#N ZINC000088102327 260228300 /nfs/dbraw/zinc/22/83/00/260228300.db2.gz FVEHWWSZZKUXAV-CYBMUJFWSA-N 0 1 258.365 2.646 20 30 CFEDMN O=C(NCc1cnc[nH]1)c1coc(C2CCCCC2)n1 ZINC000328738663 539476074 /nfs/dbraw/zinc/47/60/74/539476074.db2.gz KVNVLXJLNFQVBD-UHFFFAOYSA-N 0 1 274.324 2.950 20 30 CFEDMN CN(C)c1nc2ccc(NC(=O)C[C@@H]3CCOC3)cc2[nH]1 ZINC000328771386 539510832 /nfs/dbraw/zinc/51/08/32/539510832.db2.gz RFVQYHJZHPNCRL-JTQLQIEISA-N 0 1 288.351 2.644 20 30 CFEDMN C[C@H](N(C)CC(=O)Nc1cccc(C#N)c1)C1(C)CC1 ZINC000177240390 232354009 /nfs/dbraw/zinc/35/40/09/232354009.db2.gz YOEVUWKUPGLFNN-LBPRGKRZSA-N 0 1 271.364 2.617 20 30 CFEDMN C[C@@H](N[C@@H](C)c1ccc(C#N)cc1)C(=O)N1CCC(C)CC1 ZINC000127532752 187313716 /nfs/dbraw/zinc/31/37/16/187313716.db2.gz YVJUKRCXYWQTEM-LSDHHAIUSA-N 0 1 299.418 2.856 20 30 CFEDMN CN(C)[C@H](C/N=C/c1cccc(O)c1O)c1ccsc1 ZINC000026432204 346265385 /nfs/dbraw/zinc/26/53/85/346265385.db2.gz WETINGUMFXSZTB-WJHGTXIHSA-N 0 1 290.388 2.881 20 30 CFEDMN C=CC[C@@H]1CCCN(Cc2c(Cl)cnn2C)C1 ZINC000668493906 539535222 /nfs/dbraw/zinc/53/52/22/539535222.db2.gz SKMNNZZZTXMICJ-LLVKDONJSA-N 0 1 253.777 2.862 20 30 CFEDMN Cn1ncc2c1CC(C)(C)CN(Cc1ccc(C#N)cc1)C2 ZINC000596599393 349952829 /nfs/dbraw/zinc/95/28/29/349952829.db2.gz SBWMKYJTWWJBKQ-UHFFFAOYSA-N 0 1 294.402 2.876 20 30 CFEDMN CCCN(CC(=O)NC(C)(C)C)Cc1ccc(C#N)cc1 ZINC000047740192 346458220 /nfs/dbraw/zinc/45/82/20/346458220.db2.gz QXIQIUFPAVCULB-UHFFFAOYSA-N 0 1 287.407 2.685 20 30 CFEDMN CC1(C)[C@@H]2CN(Cc3nnc(-c4cccc(C#N)c4)o3)C[C@@H]21 ZINC000075768451 347098594 /nfs/dbraw/zinc/09/85/94/347098594.db2.gz OVQMKIIGRCWNIA-OKILXGFUSA-N 0 1 294.358 2.696 20 30 CFEDMN CC(C)C1CCN([C@H](C)C(=O)N[C@](C)(C#N)C(C)C)CC1 ZINC000075833782 347101637 /nfs/dbraw/zinc/10/16/37/347101637.db2.gz UTIFJXSUWYBCIE-RHSMWYFYSA-N 0 1 293.455 2.797 20 30 CFEDMN C#CCN(C(=O)c1cccc2n[nH]cc21)C1CCCCC1 ZINC000065912158 346744311 /nfs/dbraw/zinc/74/43/11/346744311.db2.gz ANPBICIIMXFKCX-UHFFFAOYSA-N 0 1 281.359 2.971 20 30 CFEDMN O=C(Nc1nc(-c2ccccc2Cl)n[nH]1)[C@H]1CCCO1 ZINC000076365762 347135706 /nfs/dbraw/zinc/13/57/06/347135706.db2.gz JGCWNDUPFCIPCP-SNVBAGLBSA-N 0 1 292.726 2.892 20 30 CFEDMN C=CCCCN(C)C(=O)[C@H](C)N1CCc2ccccc2C1 ZINC000076650877 347146110 /nfs/dbraw/zinc/14/61/10/347146110.db2.gz MUJSIEZECVADRA-HNNXBMFYSA-N 0 1 286.419 2.858 20 30 CFEDMN N#Cc1c(F)cccc1N1CCCC[C@H]1c1nnc[nH]1 ZINC000294422842 136684085 /nfs/dbraw/zinc/68/40/85/136684085.db2.gz ONAGETTXQXTJEC-ZDUSSCGKSA-N 0 1 271.299 2.547 20 30 CFEDMN C=CCNC(=O)[C@H](C)N1CCC[C@@H]1c1ccsc1 ZINC000076989446 347163750 /nfs/dbraw/zinc/16/37/50/347163750.db2.gz FSRJLWBQRFMFJS-WCQYABFASA-N 0 1 264.394 2.576 20 30 CFEDMN COCC#CCN1CCS[C@@H](C)[C@@H]1c1ccccc1 ZINC000677133145 539555053 /nfs/dbraw/zinc/55/50/53/539555053.db2.gz JTJFJTBVBHJEOT-GOEBONIOSA-N 0 1 275.417 2.815 20 30 CFEDMN COc1ccc(F)cc1C(=O)C(C#N)c1ccccn1 ZINC000078732716 347272555 /nfs/dbraw/zinc/27/25/55/347272555.db2.gz IDCOSMIQSBDZSU-LBPRGKRZSA-N 0 1 270.263 2.719 20 30 CFEDMN C#CCN1CCC(C(=O)N2CCC[C@H](C)[C@@H]2CCC)CC1 ZINC000081176780 347406032 /nfs/dbraw/zinc/40/60/32/347406032.db2.gz XGIHWUXUZUGKLJ-RDJZCZTQSA-N 0 1 290.451 2.759 20 30 CFEDMN CC(C)C[C@@H]1CC[N@H+]([C@@H](C)C(=O)N[C@@](C)(C#N)C(C)C)C1 ZINC000080642808 347371759 /nfs/dbraw/zinc/37/17/59/347371759.db2.gz WZKVPJOYHYSTHB-ZOBUZTSGSA-N 0 1 293.455 2.797 20 30 CFEDMN C[C@H](O)[C@H]1CCCN(CC#Cc2ccc(Cl)cc2)C1 ZINC000089928339 347531676 /nfs/dbraw/zinc/53/16/76/347531676.db2.gz HZEPJYHDUYRZLD-ZFWWWQNUSA-N 0 1 277.795 2.784 20 30 CFEDMN CN(C)Cc1ccc(CNc2cnccc2C#N)cc1F ZINC000091678792 347595492 /nfs/dbraw/zinc/59/54/92/347595492.db2.gz KLDPKEUWFONCLS-UHFFFAOYSA-N 0 1 284.338 2.766 20 30 CFEDMN CC[N@H+]1CCN(c2ccc(Cl)cc2C#N)C[C@@H]1C ZINC000110750681 347750252 /nfs/dbraw/zinc/75/02/52/347750252.db2.gz ONDRBWGEKVVBSN-NSHDSACASA-N 0 1 263.772 2.742 20 30 CFEDMN CCN1CCN(c2ccc(Cl)cc2C#N)C[C@@H]1C ZINC000110750681 347750255 /nfs/dbraw/zinc/75/02/55/347750255.db2.gz ONDRBWGEKVVBSN-NSHDSACASA-N 0 1 263.772 2.742 20 30 CFEDMN CCO[C@H]1CCCN(Cc2ccc(C#N)s2)C1 ZINC000155480383 347987044 /nfs/dbraw/zinc/98/70/44/347987044.db2.gz PFVQDHZZTYIMQO-NSHDSACASA-N 0 1 250.367 2.621 20 30 CFEDMN N#Cc1cc(NCCN2CCSCC2)nc2ccccc12 ZINC000227652107 348189568 /nfs/dbraw/zinc/18/95/68/348189568.db2.gz ZGBWIBJLNPTQGY-UHFFFAOYSA-N 0 1 298.415 2.567 20 30 CFEDMN C=CCOc1ccccc1C[N@@H+]1C[C@@H]2COC[C@]2(C)C1 ZINC000668594825 539604918 /nfs/dbraw/zinc/60/49/18/539604918.db2.gz HIVPSBMSMZNTPG-WBVHZDCISA-N 0 1 273.376 2.720 20 30 CFEDMN C=CCCCCC[N@@H+]1C[C@@H]2CCC[C@H]2[C@@H]1C(=O)[O-] ZINC000300257032 348367029 /nfs/dbraw/zinc/36/70/29/348367029.db2.gz KTUNZTCHFFJVBJ-BFHYXJOUSA-N 0 1 251.370 2.918 20 30 CFEDMN C[C@H](C#N)C(=O)N1C[C@H](C)N(Cc2ccccc2)[C@@H](C)[C@H]1C ZINC000404358301 348591612 /nfs/dbraw/zinc/59/16/12/348591612.db2.gz MQSZGDBZLLFBAX-FXUDXRNXSA-N 0 1 299.418 2.656 20 30 CFEDMN Cc1cc(Cl)ccc1OCCCNCCC#N ZINC000562985960 348659099 /nfs/dbraw/zinc/65/90/99/348659099.db2.gz KSFSSGRAHBEASE-UHFFFAOYSA-N 0 1 252.745 2.921 20 30 CFEDMN CC#CCN[C@H](CCO)c1cccc(C(F)(F)F)c1 ZINC000451310578 348621095 /nfs/dbraw/zinc/62/10/95/348621095.db2.gz RYPRSKUWLJDNOO-CYBMUJFWSA-N 0 1 271.282 2.742 20 30 CFEDMN Cc1cnn(C)c1CNCc1ccc(C#N)c(Cl)c1 ZINC000586779240 348751232 /nfs/dbraw/zinc/75/12/32/348751232.db2.gz ALVYHGIEYKFKEG-UHFFFAOYSA-N 0 1 274.755 2.543 20 30 CFEDMN COCCN(CCC#N)C[C@@H]1CC(C)=C[C@H](C)C1 ZINC000589498540 348835844 /nfs/dbraw/zinc/83/58/44/348835844.db2.gz XWTQNHMEQJJMGV-ZFWWWQNUSA-N 0 1 250.386 2.841 20 30 CFEDMN C[C@@H]1CN(c2nc(C(C)(C)C)ccc2C#N)C[C@H](C)N1C ZINC000590146270 348878227 /nfs/dbraw/zinc/87/82/27/348878227.db2.gz DWNGEHQZCPWXRD-BETUJISGSA-N 0 1 286.423 2.780 20 30 CFEDMN COc1cccc2c1CN([C@H]1CC[C@H](C#N)C1)CC2 ZINC000590760003 348945061 /nfs/dbraw/zinc/94/50/61/348945061.db2.gz COZIODVRKIMPAY-JSGCOSHPSA-N 0 1 256.349 2.746 20 30 CFEDMN CCc1nc(CSc2cccc(F)c2C#N)n[nH]1 ZINC000590596243 348912964 /nfs/dbraw/zinc/91/29/64/348912964.db2.gz NSWVMRDBOJPJHO-UHFFFAOYSA-N 0 1 262.313 2.670 20 30 CFEDMN N#Cc1ccc2c(c1)CC[C@H]2NCc1ccncc1F ZINC000590653718 348922049 /nfs/dbraw/zinc/92/20/49/348922049.db2.gz CEZDIHNYPVDNJE-MRXNPFEDSA-N 0 1 267.307 2.869 20 30 CFEDMN N#Cc1ccc(N2CC[C@H](N3CCC4(CC4)CC3)C2=O)cc1 ZINC000591022090 348979239 /nfs/dbraw/zinc/97/92/39/348979239.db2.gz NHLUCZXWUVMYKH-INIZCTEOSA-N 0 1 295.386 2.540 20 30 CFEDMN C[C@H](CCC#N)N1CCC([C@](C)(O)C(F)(F)F)CC1 ZINC000591028198 348980303 /nfs/dbraw/zinc/98/03/03/348980303.db2.gz ASWDFTSTGWAHTF-PWSUYJOCSA-N 0 1 278.318 2.704 20 30 CFEDMN O=C(NC1(c2nnc[nH]2)CCC1)[C@@H]1CCC(F)(F)C1 ZINC000329353046 539696204 /nfs/dbraw/zinc/69/62/04/539696204.db2.gz UUIZOPXBKIJZQV-MRVPVSSYSA-N 0 1 270.283 2.576 20 30 CFEDMN C[C@H](NCc1cc(=O)[nH]c(C2CC2)n1)c1cccc(C#N)c1 ZINC000590956237 348971823 /nfs/dbraw/zinc/97/18/23/348971823.db2.gz YURXJBFOVQSBSX-NSHDSACASA-N 0 1 294.358 2.782 20 30 CFEDMN N#C[C@@H]1CC[C@H](NCc2nc3c(s2)CCCC3)C1 ZINC000591639720 349036235 /nfs/dbraw/zinc/03/62/35/349036235.db2.gz CQACCNOCJSOMFC-MNOVXSKESA-N 0 1 261.394 2.804 20 30 CFEDMN O=C(NCc1nnc[nH]1)[C@H]1CCSc2ccccc21 ZINC000329616323 539713665 /nfs/dbraw/zinc/71/36/65/539713665.db2.gz FOJKMDLEUHIDER-JTQLQIEISA-N 0 1 274.349 2.541 20 30 CFEDMN C[C@H](NCc1ccncc1C#N)[C@H]1Oc2ccccc2[C@@H]1C ZINC000592103302 349083111 /nfs/dbraw/zinc/08/31/11/349083111.db2.gz GCCILFBGDXPSMC-LXIYXOSZSA-N 0 1 293.370 2.996 20 30 CFEDMN CC(C)C[C@@H]1OCCC[C@H]1NCc1ccncc1C#N ZINC000592107016 349084267 /nfs/dbraw/zinc/08/42/67/349084267.db2.gz CNNAHSLJJKDOAV-CVEARBPZSA-N 0 1 273.380 2.637 20 30 CFEDMN CCC1CCC(N(CCO)Cc2ccncc2C#N)CC1 ZINC000592112315 349085460 /nfs/dbraw/zinc/08/54/60/349085460.db2.gz KTSIYRLIPOEGFN-UHFFFAOYSA-N 0 1 287.407 2.716 20 30 CFEDMN CCS[C@@H]1CCC[C@H]1NCc1ccncc1C#N ZINC000592121308 349085847 /nfs/dbraw/zinc/08/58/47/349085847.db2.gz GCGPXXFHOVRQAL-ZIAGYGMSSA-N 0 1 261.394 2.717 20 30 CFEDMN CC(C)(C)CCNC(=O)CN1CCC(CCC#N)CC1 ZINC000592135531 349088642 /nfs/dbraw/zinc/08/86/42/349088642.db2.gz VMCMPAARKFMAMM-UHFFFAOYSA-N 0 1 279.428 2.555 20 30 CFEDMN N#CC[C@]1(O)CCN(CCCc2ccccc2Cl)C1 ZINC000592150236 349091359 /nfs/dbraw/zinc/09/13/59/349091359.db2.gz BIJUCOBCPGFJDJ-HNNXBMFYSA-N 0 1 278.783 2.623 20 30 CFEDMN N#CC[C@@]1(O)CCN([C@H]2CCCc3ccc(F)cc32)C1 ZINC000592151900 349092448 /nfs/dbraw/zinc/09/24/48/349092448.db2.gz ROCPQKVFTUSQLC-JKSUJKDBSA-N 0 1 274.339 2.554 20 30 CFEDMN N#CC[C@@]1(O)CCN(C/C=C/c2ccc(Cl)cc2)C1 ZINC000592153147 349092717 /nfs/dbraw/zinc/09/27/17/349092717.db2.gz JWRMFTSKACQVNA-BGTMTDRBSA-N 0 1 276.767 2.704 20 30 CFEDMN CCO[C@@H]1C[C@@H](NCc2ccccc2C#N)[C@@H]1SC ZINC000592169234 349095002 /nfs/dbraw/zinc/09/50/02/349095002.db2.gz NEWDQFGTYARNIE-KFWWJZLASA-N 0 1 276.405 2.557 20 30 CFEDMN N#Cc1ccc(/C=C\c2nc([C@H]3CCCN3)no2)cc1 ZINC000592357126 349108041 /nfs/dbraw/zinc/10/80/41/349108041.db2.gz QLSATMNBKDNOEC-MEJMFZKBSA-N 0 1 266.304 2.536 20 30 CFEDMN CCN(CCSC)Cc1cc(C#N)ccc1OC ZINC000592203168 349099742 /nfs/dbraw/zinc/09/97/42/349099742.db2.gz KETKSESQXJACDP-UHFFFAOYSA-N 0 1 264.394 2.752 20 30 CFEDMN CCN(CCSC)[C@@H](C)C(=O)Nc1cccc(C#N)c1 ZINC000592202333 349100320 /nfs/dbraw/zinc/10/03/20/349100320.db2.gz XNFGVUDLKQXZMD-LBPRGKRZSA-N 0 1 291.420 2.570 20 30 CFEDMN COc1ccccc1C1(N[C@@H]2CC[C@@H](C#N)C2)CC1 ZINC000592394690 349114150 /nfs/dbraw/zinc/11/41/50/349114150.db2.gz RBOAAFPWMRRBDS-CHWSQXEVSA-N 0 1 256.349 2.966 20 30 CFEDMN Cc1cc(C(F)(F)F)ccc1CN1CC[C@@](O)(CC#N)C1 ZINC000592522710 349132575 /nfs/dbraw/zinc/13/25/75/349132575.db2.gz QFQIUVDZRVAPKA-AWEZNQCLSA-N 0 1 298.308 2.864 20 30 CFEDMN CC(C)(C)c1ccc(CN2CC[C@](O)(CC#N)C2)s1 ZINC000592522272 349132734 /nfs/dbraw/zinc/13/27/34/349132734.db2.gz KJGJVIQWCXRIPB-OAHLLOKOSA-N 0 1 278.421 2.896 20 30 CFEDMN Cc1cc(C(F)(F)F)ccc1CN1CC[C@](O)(CC#N)C1 ZINC000592522715 349132978 /nfs/dbraw/zinc/13/29/78/349132978.db2.gz QFQIUVDZRVAPKA-CQSZACIVSA-N 0 1 298.308 2.864 20 30 CFEDMN CC[C@@H](OCCN1CC[C@@](O)(CC#N)C1)c1ccccc1 ZINC000593035820 349191285 /nfs/dbraw/zinc/19/12/85/349191285.db2.gz SSBUSCRFQUXNGE-SJORKVTESA-N 0 1 288.391 2.505 20 30 CFEDMN CCN(Cc1ccc(C#N)cc1OC)[C@@H]1CCCOC1 ZINC000593069223 349201550 /nfs/dbraw/zinc/20/15/50/349201550.db2.gz IEQHAWYSHXTFMD-OAHLLOKOSA-N 0 1 274.364 2.568 20 30 CFEDMN CC(C#N)C(=O)NC1(C(=O)OC(C)(C)C)CCCCCC1 ZINC000593810567 349329497 /nfs/dbraw/zinc/32/94/97/349329497.db2.gz HIEITXYUHBBSMD-LBPRGKRZSA-N 0 1 294.395 2.697 20 30 CFEDMN Cc1ncc(CNC2(c3ccc(C#N)cc3)CCC2)cn1 ZINC000594033571 349358286 /nfs/dbraw/zinc/35/82/86/349358286.db2.gz TWWCRORPOGERSZ-UHFFFAOYSA-N 0 1 278.359 2.826 20 30 CFEDMN C[C@H](O)[C@H](N[C@@H]1CCC[C@H](C#N)C1)c1ccccc1F ZINC000593658995 349306094 /nfs/dbraw/zinc/30/60/94/349306094.db2.gz RIMFLHVPYYYRMB-JFILPPLUSA-N 0 1 276.355 2.920 20 30 CFEDMN CC[C@H](C#N)C(=O)Nc1cccc2c1OCC[C@@H]2N(C)C ZINC000593665712 349306725 /nfs/dbraw/zinc/30/67/25/349306725.db2.gz FWUWISFDQVELRK-RISCZKNCSA-N 0 1 287.363 2.560 20 30 CFEDMN CC[C@@H](C#N)C(=O)Nc1cccc2c1OCC[C@@H]2N(C)C ZINC000593665711 349306997 /nfs/dbraw/zinc/30/69/97/349306997.db2.gz FWUWISFDQVELRK-FZMZJTMJSA-N 0 1 287.363 2.560 20 30 CFEDMN CN(C)[C@H](CNC(=O)CCCCC#N)c1ccsc1 ZINC000594226379 349396749 /nfs/dbraw/zinc/39/67/49/349396749.db2.gz FZXWHQUCYYAPEH-CYBMUJFWSA-N 0 1 279.409 2.551 20 30 CFEDMN Cc1ccc(-c2n[nH]c(NC(=O)CCCCC#N)n2)cc1 ZINC000594288374 349404971 /nfs/dbraw/zinc/40/49/71/349404971.db2.gz VSBXTROPLNAQNY-UHFFFAOYSA-N 0 1 283.335 2.803 20 30 CFEDMN CC[C@@H](C#N)N(C)C(=O)[C@H](c1ccccc1)N(CC)CC ZINC000594096259 349376190 /nfs/dbraw/zinc/37/61/90/349376190.db2.gz ABJXMKINLHFTPO-HOTGVXAUSA-N 0 1 287.407 2.830 20 30 CFEDMN CCN(CC(=O)NC1(c2ccc(C#N)cc2)CCC1)C1CC1 ZINC000594142852 349385637 /nfs/dbraw/zinc/38/56/37/349385637.db2.gz CMEHYPCLXVDSIG-UHFFFAOYSA-N 0 1 297.402 2.538 20 30 CFEDMN N#CC1(c2ccc(CN3CCOC[C@@H]3C3CC3)cc2)CC1 ZINC000597011572 350016422 /nfs/dbraw/zinc/01/64/22/350016422.db2.gz CVEOHSLJQMVSLQ-QGZVFWFLSA-N 0 1 282.387 2.853 20 30 CFEDMN CC[C@H](CC#N)N[C@H](C)COc1ccc(CCOC)cc1 ZINC000597086115 350028460 /nfs/dbraw/zinc/02/84/60/350028460.db2.gz ILEZCXFGTTWNFO-GDBMZVCRSA-N 0 1 290.407 2.925 20 30 CFEDMN Cc1cc2[nH]ncc2cc1NC(=O)CCCCC#N ZINC000594352344 349409870 /nfs/dbraw/zinc/40/98/70/349409870.db2.gz XWCIINAPZGUWJZ-UHFFFAOYSA-N 0 1 256.309 2.894 20 30 CFEDMN C[C@H](c1cccc(C#N)c1)N(C)C(=O)[C@@H](C)Cc1cnc[nH]1 ZINC000594371122 349411856 /nfs/dbraw/zinc/41/18/56/349411856.db2.gz CNMGDUYVQQDFCU-QWHCGFSZSA-N 0 1 296.374 2.680 20 30 CFEDMN CCC(C)(C)N1CCN(C(=O)c2cscc2C#N)CC1 ZINC000594389458 349413490 /nfs/dbraw/zinc/41/34/90/349413490.db2.gz IRXJHNIUEQOHSL-UHFFFAOYSA-N 0 1 291.420 2.566 20 30 CFEDMN Cc1n[nH]c(C(C)C)c1C(=O)N1Cc2ccc(C#N)cc2C1 ZINC000594398775 349414343 /nfs/dbraw/zinc/41/43/43/349414343.db2.gz FFKVADPJVXHFRD-UHFFFAOYSA-N 0 1 294.358 2.869 20 30 CFEDMN C#CCNC(=O)[C@H](C)N[C@@H](CC)c1ccc(Cl)s1 ZINC000273489626 192171879 /nfs/dbraw/zinc/17/18/79/192171879.db2.gz KEQATADJLKTDSS-UWVGGRQHSA-N 0 1 284.812 2.580 20 30 CFEDMN N#CC1(CC(=O)Nc2nc(-c3ccco3)n[nH]2)CCCCC1 ZINC000597130916 350035235 /nfs/dbraw/zinc/03/52/35/350035235.db2.gz JLLPXEFNZWCWLA-UHFFFAOYSA-N 0 1 299.334 2.867 20 30 CFEDMN CC(C)N(Cc1ccc(C2(C#N)CC2)cc1)C1COC1 ZINC000597134646 350036399 /nfs/dbraw/zinc/03/63/99/350036399.db2.gz JKYBXHZTTJYVCE-UHFFFAOYSA-N 0 1 270.376 2.851 20 30 CFEDMN CCCOc1ccc(CN2CC[C@](O)(CC#N)C2)c(C)c1 ZINC000597157438 350041292 /nfs/dbraw/zinc/04/12/92/350041292.db2.gz QIJZKXGTTBWRAO-QGZVFWFLSA-N 0 1 288.391 2.634 20 30 CFEDMN CC(=O)Nc1ccccc1CN1CCC[C@@H](CC#N)C1 ZINC000597176138 350044380 /nfs/dbraw/zinc/04/43/80/350044380.db2.gz FTIAVONGBMLQDZ-AWEZNQCLSA-N 0 1 271.364 2.771 20 30 CFEDMN N#CC[C@@H]1CCCN(Cc2ccc(-c3cc[nH]n3)o2)C1 ZINC000597176116 350044596 /nfs/dbraw/zinc/04/45/96/350044596.db2.gz FLSVUTWLPNLFEY-LBPRGKRZSA-N 0 1 270.336 2.795 20 30 CFEDMN CCc1nn(C)c(CC)c1CN1CCC[C@H](CC#N)C1 ZINC000597176154 350044700 /nfs/dbraw/zinc/04/47/00/350044700.db2.gz GAGGTVVVDZWCGT-CYBMUJFWSA-N 0 1 274.412 2.671 20 30 CFEDMN N#C[C@@H]1CCCC[C@@H]1NCc1ccc2[nH]cnc2c1 ZINC000597199232 350052979 /nfs/dbraw/zinc/05/29/79/350052979.db2.gz SXZDTYIZVWOYBF-STQMWFEESA-N 0 1 254.337 2.735 20 30 CFEDMN N#C[C@@H]1CCCC[C@@H]1NCc1ccc2nc[nH]c2c1 ZINC000597199232 350052987 /nfs/dbraw/zinc/05/29/87/350052987.db2.gz SXZDTYIZVWOYBF-STQMWFEESA-N 0 1 254.337 2.735 20 30 CFEDMN CCO[C@@H]1C[C@@H](NCC2(C#N)CCCCC2)[C@@H]1SC ZINC000597215474 350059179 /nfs/dbraw/zinc/05/91/79/350059179.db2.gz CQLONJYRSLVHAP-MCIONIFRSA-N 0 1 282.453 2.959 20 30 CFEDMN CCO[C@@H]1C[C@H](NCC2(C#N)CCCCC2)[C@@H]1SC ZINC000597215476 350059236 /nfs/dbraw/zinc/05/92/36/350059236.db2.gz CQLONJYRSLVHAP-MJBXVCDLSA-N 0 1 282.453 2.959 20 30 CFEDMN C[C@@]1(C#N)CCN(Cc2cnc(-c3ccccc3)[nH]2)C1 ZINC000597229612 350063600 /nfs/dbraw/zinc/06/36/00/350063600.db2.gz NHBWAYWMQNVLQC-INIZCTEOSA-N 0 1 266.348 2.812 20 30 CFEDMN C[C@H](CC#N)C(=O)N1C[C@@H](C)N(Cc2ccccc2)C[C@@H]1C ZINC000597458671 350099788 /nfs/dbraw/zinc/09/97/88/350099788.db2.gz RYCHWFLEEJCQOX-OAGGEKHMSA-N 0 1 299.418 2.658 20 30 CFEDMN C[C@H](CC#N)C(=O)N1C[C@@H](C)N(Cc2ccccc2)C[C@H]1C ZINC000597458670 350099926 /nfs/dbraw/zinc/09/99/26/350099926.db2.gz RYCHWFLEEJCQOX-BZUAXINKSA-N 0 1 299.418 2.658 20 30 CFEDMN N#CC1(C(=O)NCc2ccc3nc[nH]c3c2)CCCCC1 ZINC000597721686 350128803 /nfs/dbraw/zinc/12/88/03/350128803.db2.gz IYMFNJFCZCMFID-UHFFFAOYSA-N 0 1 282.347 2.653 20 30 CFEDMN N#C[C@@]1(C(=O)NCc2ccc3nc[nH]c3c2)CC12CCCC2 ZINC000597723775 350129103 /nfs/dbraw/zinc/12/91/03/350129103.db2.gz ZWFCQWNOLYUJRI-QGZVFWFLSA-N 0 1 294.358 2.653 20 30 CFEDMN N#CC1(CC(=O)NCc2ccc3cncn3c2)CCCCC1 ZINC000597761000 350132858 /nfs/dbraw/zinc/13/28/58/350132858.db2.gz OHJSAZJXSFCCQN-UHFFFAOYSA-N 0 1 296.374 2.815 20 30 CFEDMN N#CC[C@H]1CCCN(C(=O)c2cnc(-c3ccccc3)[nH]2)C1 ZINC000597899725 350152174 /nfs/dbraw/zinc/15/21/74/350152174.db2.gz CYOKYGKTZBLSAP-CYBMUJFWSA-N 0 1 294.358 2.843 20 30 CFEDMN Cc1oc(C#N)cc1-c1nc([C@@H](N)CC(C)C)no1 ZINC000414614153 233301933 /nfs/dbraw/zinc/30/19/33/233301933.db2.gz GQCVBGMIABLTCX-NSHDSACASA-N 0 1 260.297 2.556 20 30 CFEDMN C=CCCC1(CNC(=O)c2n[nH]cc2[N+](=O)[O-])CCCC1 ZINC000597926885 350158762 /nfs/dbraw/zinc/15/87/62/350158762.db2.gz JBHDGCNYJGZUFN-UHFFFAOYSA-N 0 1 292.339 2.574 20 30 CFEDMN C[C@H](C#N)N(C(=O)c1cc(-c2ccccc2)[nH]n1)C1CC1 ZINC000598125976 350202575 /nfs/dbraw/zinc/20/25/75/350202575.db2.gz AGVUUQYNLSSUST-LLVKDONJSA-N 0 1 280.331 2.593 20 30 CFEDMN N#CC1(CNC(=O)c2ccc3cncn3c2)CCCCC1 ZINC000598315982 350233469 /nfs/dbraw/zinc/23/34/69/350233469.db2.gz ZVRLWRDCGSARMQ-UHFFFAOYSA-N 0 1 282.347 2.538 20 30 CFEDMN Cc1ccc(-c2cc(C(=O)N3CC[C@](C)(C#N)C3)n[nH]2)cc1 ZINC000598407091 350258933 /nfs/dbraw/zinc/25/89/33/350258933.db2.gz FQNNOGDWWMDQHY-QGZVFWFLSA-N 0 1 294.358 2.761 20 30 CFEDMN C[C@@]1(C#N)CCN(C(=O)c2cc(-c3ccc(F)cc3)[nH]n2)C1 ZINC000598412390 350262056 /nfs/dbraw/zinc/26/20/56/350262056.db2.gz SJHCMVDYZXZCNZ-INIZCTEOSA-N 0 1 298.321 2.592 20 30 CFEDMN CCN(CC)[C@@H](C(=O)N1CC[C@](C)(C#N)C1)c1ccccc1 ZINC000598413459 350262569 /nfs/dbraw/zinc/26/25/69/350262569.db2.gz RWDXHAZGLYFCNB-SJLPKXTDSA-N 0 1 299.418 2.832 20 30 CFEDMN COc1ccc(C#N)cc1CN1CC(C)(C)CC[C@H]1CO ZINC000598646190 350300676 /nfs/dbraw/zinc/30/06/76/350300676.db2.gz CQIHAGFWRKQEEX-HNNXBMFYSA-N 0 1 288.391 2.550 20 30 CFEDMN CCCNc1ccc(C#N)cc1NC(=O)c1[nH]c(C)nc1C ZINC000598688614 350310496 /nfs/dbraw/zinc/31/04/96/350310496.db2.gz YECCAGWWQOQHBK-UHFFFAOYSA-N 0 1 297.362 2.972 20 30 CFEDMN CCC(CC)CN(CCC#N)C[C@@H](O)CC(C)(C)C#N ZINC000598591363 350288203 /nfs/dbraw/zinc/28/82/03/350288203.db2.gz AGRWJFSHSVJQSY-HNNXBMFYSA-N 0 1 279.428 2.939 20 30 CFEDMN Cc1csc(C(C)(C)NC[C@H](O)CC(C)(C)C#N)n1 ZINC000598597369 350290073 /nfs/dbraw/zinc/29/00/73/350290073.db2.gz ZVJFZECIZYWEKR-LLVKDONJSA-N 0 1 281.425 2.577 20 30 CFEDMN Cc1nc([C@H]2CCCN2C[C@@H](O)CC(C)(C)C#N)cs1 ZINC000598607167 350292705 /nfs/dbraw/zinc/29/27/05/350292705.db2.gz ITEBRMOWTZUUGK-GXTWGEPZSA-N 0 1 293.436 2.889 20 30 CFEDMN Cc1nc([C@H]2CCCN2C[C@H](O)CC(C)(C)C#N)cs1 ZINC000598607174 350292972 /nfs/dbraw/zinc/29/29/72/350292972.db2.gz ITEBRMOWTZUUGK-TZMCWYRMSA-N 0 1 293.436 2.889 20 30 CFEDMN CC(C)(C#N)C[C@H](O)CN1CC[C@@](F)(c2ccccc2)C1 ZINC000598622150 350295368 /nfs/dbraw/zinc/29/53/68/350295368.db2.gz YHCBSEKLDJFKMR-RDJZCZTQSA-N 0 1 290.382 2.858 20 30 CFEDMN COCC#CCN1C[C@H](C)C[C@H]1c1cccc(F)c1 ZINC000677819794 539794155 /nfs/dbraw/zinc/79/41/55/539794155.db2.gz AKWAOFYRPSWXGN-CJNGLKHVSA-N 0 1 261.340 2.858 20 30 CFEDMN Cc1ccc(CN2CC=C(c3ccnn3C)CC2)cc1C#N ZINC000599413252 350432526 /nfs/dbraw/zinc/43/25/26/350432526.db2.gz VCPRKTDGSUCOSU-UHFFFAOYSA-N 0 1 292.386 2.890 20 30 CFEDMN C=CC[C@H]1CCN(Cc2ccsc2C(=O)OC)C1 ZINC000599526727 350450623 /nfs/dbraw/zinc/45/06/23/350450623.db2.gz QQBKJZPDOUYXCR-NSHDSACASA-N 0 1 265.378 2.933 20 30 CFEDMN Cc1ccc(CN2CCC[C@@H](CC#N)C2)cc1C#N ZINC000599467900 350442076 /nfs/dbraw/zinc/44/20/76/350442076.db2.gz ANLURZVFFCOJRH-AWEZNQCLSA-N 0 1 253.349 2.992 20 30 CFEDMN CC(C)c1nc(CN2CCc3c(CC#N)cccc3C2)n[nH]1 ZINC000599677354 350479608 /nfs/dbraw/zinc/47/96/08/350479608.db2.gz FVCMNQYVPVNZAN-UHFFFAOYSA-N 0 1 295.390 2.552 20 30 CFEDMN C=CCN(Cc1cncc(Br)c1)C1CC1 ZINC000271391296 191112216 /nfs/dbraw/zinc/11/22/16/191112216.db2.gz KALYXASMQXTCHZ-UHFFFAOYSA-N 0 1 267.170 2.995 20 30 CFEDMN Cc1ccc(C(C)(C)CNC[C@H](C#N)CCC#N)nc1 ZINC000600612477 350580527 /nfs/dbraw/zinc/58/05/27/350580527.db2.gz YDLVXBADLZQSMA-AWEZNQCLSA-N 0 1 270.380 2.701 20 30 CFEDMN N#Cc1c(F)cccc1CNc1ccc2nn[nH]c2c1 ZINC000600849982 350619155 /nfs/dbraw/zinc/61/91/55/350619155.db2.gz KNUMNLCHNYDCBU-UHFFFAOYSA-N 0 1 267.267 2.581 20 30 CFEDMN N#Cc1c(F)cccc1CNc1ccc2n[nH]nc2c1 ZINC000600849982 350619156 /nfs/dbraw/zinc/61/91/56/350619156.db2.gz KNUMNLCHNYDCBU-UHFFFAOYSA-N 0 1 267.267 2.581 20 30 CFEDMN CCCCN(CCOC)Cc1cc(C#N)ccc1F ZINC000109333416 186247683 /nfs/dbraw/zinc/24/76/83/186247683.db2.gz HIYMRRWIFBWDNC-UHFFFAOYSA-N 0 1 264.344 2.946 20 30 CFEDMN COc1ccc(-c2cccc([C@H]3COCCN3)c2)c(C#N)c1 ZINC000600789671 350612159 /nfs/dbraw/zinc/61/21/59/350612159.db2.gz HKFFDWIYPBONJW-GOSISDBHSA-N 0 1 294.354 2.895 20 30 CFEDMN C[C@H](C#N)n1cc(-c2ccc(F)c(CN(C)C)c2)cn1 ZINC000600791540 350612877 /nfs/dbraw/zinc/61/28/77/350612877.db2.gz RDPILCHNAACQEO-LLVKDONJSA-N 0 1 272.327 2.835 20 30 CFEDMN CCN1C(=O)N=NC1S[C@H](C#N)CCc1ccccc1 ZINC000601072871 350658853 /nfs/dbraw/zinc/65/88/53/350658853.db2.gz WDBYHHHMJAWCSN-LBPRGKRZSA-N 0 1 288.376 2.621 20 30 CFEDMN Cc1cc(CNCCSCc2ccccc2C#N)on1 ZINC000601100320 350668672 /nfs/dbraw/zinc/66/86/72/350668672.db2.gz QGPGBMOAYJFCKL-UHFFFAOYSA-N 0 1 287.388 2.878 20 30 CFEDMN Cc1cc(N2CCN(CCC#N)CC2)c2cc(F)ccc2n1 ZINC000601262496 350711669 /nfs/dbraw/zinc/71/16/69/350711669.db2.gz HLZBKZXCZZHMDV-UHFFFAOYSA-N 0 1 298.365 2.718 20 30 CFEDMN Cc1cc(C[C@H](C)Nc2ncc(C#N)c3ccsc32)[nH]n1 ZINC000601130758 350677672 /nfs/dbraw/zinc/67/76/72/350677672.db2.gz BOHRTWGEDHCPDC-VIFPVBQESA-N 0 1 297.387 2.665 20 30 CFEDMN CCC(C)(C)N1CCN(C(=O)c2ccccc2CC#N)CC1 ZINC000601657562 350754499 /nfs/dbraw/zinc/75/44/99/350754499.db2.gz PCIUOFGEYDKSSD-UHFFFAOYSA-N 0 1 299.418 2.699 20 30 CFEDMN Cc1[nH]n([C@@H](C)COc2ccccc2)c(=O)c1CCC#N ZINC000601947203 350814650 /nfs/dbraw/zinc/81/46/50/350814650.db2.gz SPMPDPRXDSIKMF-SWLSCSKDSA-N 0 1 285.347 2.592 20 30 CFEDMN CCc1c(C)[nH]n(-c2ccc(C#N)c(Cl)c2)c1=O ZINC000601948047 350815300 /nfs/dbraw/zinc/81/53/00/350815300.db2.gz IXHMIQYPZYYMCR-LLVKDONJSA-N 0 1 261.712 2.960 20 30 CFEDMN CC[C@H](C)c1cc(=O)n(Cc2ccc(C#N)cc2)[nH]1 ZINC000601947919 350815319 /nfs/dbraw/zinc/81/53/19/350815319.db2.gz UXYRNVCGEBWWIB-NSHDSACASA-N 0 1 255.321 2.693 20 30 CFEDMN CN(C(=O)c1cnc(-c2ccccc2)[nH]1)[C@H]1CCC[C@@H]1C#N ZINC000601810972 350781700 /nfs/dbraw/zinc/78/17/00/350781700.db2.gz APRXWQCBKPNMCI-HIFRSBDPSA-N 0 1 294.358 2.841 20 30 CFEDMN CN(C(=O)c1cc(-c2ccccc2)[nH]n1)[C@H]1CCC[C@H]1C#N ZINC000601823094 350786520 /nfs/dbraw/zinc/78/65/20/350786520.db2.gz WTPWNDZJOLAKIT-BBRMVZONSA-N 0 1 294.358 2.841 20 30 CFEDMN CN(C(=O)C(C#N)CCc1ccccc1)[C@H]1CCC[C@H]1C#N ZINC000601824388 350786951 /nfs/dbraw/zinc/78/69/51/350786951.db2.gz ZAVQJQKXPLWTJW-ULQDDVLXSA-N 0 1 295.386 2.910 20 30 CFEDMN C[C@H]1CCC2=NN(c3ccc(C#N)cc3)C(=O)[C@H]2C1 ZINC000601932924 350806308 /nfs/dbraw/zinc/80/63/08/350806308.db2.gz VBPBUPRIBRKFCF-GWCFXTLKSA-N 0 1 253.305 2.697 20 30 CFEDMN C[C@H]1CCc2[nH]n(-c3ccc(C#N)cc3)c(=O)c2C1 ZINC000601932924 350806311 /nfs/dbraw/zinc/80/63/11/350806311.db2.gz VBPBUPRIBRKFCF-GWCFXTLKSA-N 0 1 253.305 2.697 20 30 CFEDMN Cc1[nH]n(-c2ccc([N+](=O)[O-])cc2C)c(=O)c1CCC#N ZINC000601942186 350811776 /nfs/dbraw/zinc/81/17/76/350811776.db2.gz GZXNEHNYONLGLV-GFCCVEGCSA-N 0 1 286.291 2.546 20 30 CFEDMN N#Cc1c(F)cccc1CN[C@H]1CCCc2[nH]c(=O)ccc21 ZINC000602008054 350829832 /nfs/dbraw/zinc/82/98/32/350829832.db2.gz PMCGQONPIGCFDG-HNNXBMFYSA-N 0 1 297.333 2.965 20 30 CFEDMN CCC(CC)(CNCc1cccc(F)c1C#N)OC ZINC000602023813 350834759 /nfs/dbraw/zinc/83/47/59/350834759.db2.gz KMZYZPDSZYGCFT-UHFFFAOYSA-N 0 1 264.344 2.992 20 30 CFEDMN CC[C@H](COCC1CC1)NCc1cccc(F)c1C#N ZINC000602029835 350835930 /nfs/dbraw/zinc/83/59/30/350835930.db2.gz YVKDLNMJPOYJQN-CQSZACIVSA-N 0 1 276.355 2.992 20 30 CFEDMN C[C@H](c1ccccc1)[C@H](O)CNCc1cccc(F)c1C#N ZINC000602029366 350836121 /nfs/dbraw/zinc/83/61/21/350836121.db2.gz VHBMXHPCVCTDTB-FZKQIMNGSA-N 0 1 298.361 2.952 20 30 CFEDMN C[C@H](NC(=O)[C@H]1CCN1C1CCCC1)c1ccc(C#N)cc1 ZINC000602052722 350836856 /nfs/dbraw/zinc/83/68/56/350836856.db2.gz NQPSPRUIKBHHSY-SUMWQHHRSA-N 0 1 297.402 2.752 20 30 CFEDMN N#CCc1cccc(NC(=O)[C@H]2CCN2C2CCCC2)c1 ZINC000602157503 350847668 /nfs/dbraw/zinc/84/76/68/350847668.db2.gz GGJPXOVHYWEUNC-MRXNPFEDSA-N 0 1 283.375 2.708 20 30 CFEDMN C[C@H](c1cccc(C#N)c1)N(C)C(=O)[C@@H]1C[C@H]1c1cnc[nH]1 ZINC000602166097 350848246 /nfs/dbraw/zinc/84/82/46/350848246.db2.gz KHCXYJOKYRQDDJ-KCPJHIHWSA-N 0 1 294.358 2.604 20 30 CFEDMN C[C@@H](c1cccc(C#N)c1)N(C)C(=O)[C@@H]1CCCCN1C ZINC000602164762 350848605 /nfs/dbraw/zinc/84/86/05/350848605.db2.gz CWLGUFVKZNOXOV-BBRMVZONSA-N 0 1 285.391 2.562 20 30 CFEDMN Cc1nc(C2(NC[C@H](C)CCC#N)CCCC2)no1 ZINC000602527566 350915211 /nfs/dbraw/zinc/91/52/11/350915211.db2.gz RVDQYCUPFIGRGO-LLVKDONJSA-N 0 1 262.357 2.677 20 30 CFEDMN CC[C@@H](NCc1cccc(C#N)n1)c1ccncc1 ZINC000602559523 350924164 /nfs/dbraw/zinc/92/41/64/350924164.db2.gz PKBCKNRDAMEHEG-OAHLLOKOSA-N 0 1 252.321 2.589 20 30 CFEDMN COC(=O)CN(CCc1ccccc1)C[C@@H](C)CCC#N ZINC000602587070 350936488 /nfs/dbraw/zinc/93/64/88/350936488.db2.gz OIYUKVURSQWZHG-HNNXBMFYSA-N 0 1 288.391 2.644 20 30 CFEDMN CCN(CCC#N)C[C@H]1CCN(c2ccccc2)C1 ZINC000602437334 350880981 /nfs/dbraw/zinc/88/09/81/350880981.db2.gz HUWGSBDCSXEWST-OAHLLOKOSA-N 0 1 257.381 2.748 20 30 CFEDMN CC[C@](C)(C[N@@H+](CCOC)Cc1ccc(C#N)cc1)OC ZINC000602444035 350886162 /nfs/dbraw/zinc/88/61/62/350886162.db2.gz JBOZCCPIQVHHRK-QGZVFWFLSA-N 0 1 290.407 2.822 20 30 CFEDMN CCC(CC)CN(CCC#N)Cc1ccc(=O)[nH]c1 ZINC000602465569 350892890 /nfs/dbraw/zinc/89/28/90/350892890.db2.gz PFBDWFDWUXYOBX-UHFFFAOYSA-N 0 1 261.369 2.939 20 30 CFEDMN Cc1noc([C@@H]2CCCCN2C[C@@H](C)CCC#N)n1 ZINC000602652742 350961949 /nfs/dbraw/zinc/96/19/49/350961949.db2.gz FPSKRYJUXYHGCJ-AAEUAGOBSA-N 0 1 262.357 2.845 20 30 CFEDMN CN(CCc1cccc([N+](=O)[O-])c1)Cc1cccc(C#N)n1 ZINC000602658070 350963677 /nfs/dbraw/zinc/96/36/77/350963677.db2.gz IJSQIGHZZKCUFC-UHFFFAOYSA-N 0 1 296.330 2.536 20 30 CFEDMN N#Cc1cccc(CN2CC3(CCC3)[C@H]2C2CC2)n1 ZINC000602665413 350967778 /nfs/dbraw/zinc/96/77/78/350967778.db2.gz BDNHWJPGVOCOEX-OAHLLOKOSA-N 0 1 253.349 2.718 20 30 CFEDMN COC(=O)c1cnc([C@@H](C)NC[C@@H](C)CCC#N)s1 ZINC000602692832 350981920 /nfs/dbraw/zinc/98/19/20/350981920.db2.gz BYSKZSUUSBHPBX-VHSXEESVSA-N 0 1 281.381 2.520 20 30 CFEDMN N#CC[C@]1(O)CCN(Cc2ccc(F)c3ccccc23)C1 ZINC000602696924 350985048 /nfs/dbraw/zinc/98/50/48/350985048.db2.gz MGAVITLGXHVGJL-KRWDZBQOSA-N 0 1 284.334 2.829 20 30 CFEDMN COc1ncc(CNCc2ccc(CC#N)cc2)s1 ZINC000602702569 350988265 /nfs/dbraw/zinc/98/82/65/350988265.db2.gz SKTBAXMIFGSBST-UHFFFAOYSA-N 0 1 273.361 2.508 20 30 CFEDMN CC[C@H](C)[C@@H](CN1Cc2ccc(C#N)cc2C1)OC ZINC000602712944 350994938 /nfs/dbraw/zinc/99/49/38/350994938.db2.gz WRAIYGDGRYNIMC-BLLLJJGKSA-N 0 1 258.365 2.935 20 30 CFEDMN Cc1ccc(C(C)(C)NCc2cccc(C#N)n2)cn1 ZINC000602613048 350946301 /nfs/dbraw/zinc/94/63/01/350946301.db2.gz MIWMSYVKMIYTOK-UHFFFAOYSA-N 0 1 266.348 2.682 20 30 CFEDMN COCCN(Cc1ccc(C#N)cc1)CC1(CC#N)CC1 ZINC000602765831 351018085 /nfs/dbraw/zinc/01/80/85/351018085.db2.gz MQJCKXCSQPNSBC-UHFFFAOYSA-N 0 1 283.375 2.701 20 30 CFEDMN N#Cc1cnccc1CN[C@@H]1CCO[C@H]1c1ccccc1 ZINC000602917988 351065191 /nfs/dbraw/zinc/06/51/91/351065191.db2.gz MSEDKVBUHKKFMW-SJORKVTESA-N 0 1 279.343 2.573 20 30 CFEDMN CSc1ccc(CN2C[C@@H](C)N(CC#N)[C@@H](C)C2)cc1 ZINC000602856208 351047535 /nfs/dbraw/zinc/04/75/35/351047535.db2.gz JGXJTHUOCSNDOU-OKILXGFUSA-N 0 1 289.448 2.827 20 30 CFEDMN COc1ccc2c(c1)CCN(CC1(CC#N)CC1)C2 ZINC000602895821 351060628 /nfs/dbraw/zinc/06/06/28/351060628.db2.gz MEHDESZZXIFWIA-UHFFFAOYSA-N 0 1 256.349 2.747 20 30 CFEDMN CCc1nocc1CN1CCC(c2ccc(C#N)cn2)CC1 ZINC000602907738 351063093 /nfs/dbraw/zinc/06/30/93/351063093.db2.gz UPPHWUZANQYJDN-UHFFFAOYSA-N 0 1 296.374 2.883 20 30 CFEDMN C[C@H]1C[N@@H+](CC2(CC#N)CC2)CC[C@H]1C(=O)OC(C)(C)C ZINC000602916229 351064472 /nfs/dbraw/zinc/06/44/72/351064472.db2.gz MAPJMTSQTQDBSM-UONOGXRCSA-N 0 1 292.423 2.980 20 30 CFEDMN COc1ccc(CN2CCC(C)(F)CC2)cc1C#N ZINC000602743433 351011708 /nfs/dbraw/zinc/01/17/08/351011708.db2.gz WFFFITAPWFGNKP-UHFFFAOYSA-N 0 1 262.328 2.891 20 30 CFEDMN N#CCCN1CCN(Cc2cccc(C3CC3)c2)CC1 ZINC000602748682 351012726 /nfs/dbraw/zinc/01/27/26/351012726.db2.gz QAAXRZSFUZNKPD-UHFFFAOYSA-N 0 1 269.392 2.595 20 30 CFEDMN Cc1cc(CN2CCN(CCC#N)CC2)cc2cccnc12 ZINC000602747535 351012845 /nfs/dbraw/zinc/01/28/45/351012845.db2.gz ABJXVQHXWCYOCJ-UHFFFAOYSA-N 0 1 294.402 2.575 20 30 CFEDMN CC1(C)CN(Cc2cn(CCC#N)nc2-c2ccncc2)C1 ZINC000602752326 351013649 /nfs/dbraw/zinc/01/36/49/351013649.db2.gz SXNAOEXGOIVGFM-UHFFFAOYSA-N 0 1 295.390 2.701 20 30 CFEDMN CN(CCC(=O)Nc1cccc(F)c1)[C@@H]1CCC[C@@H]1C#N ZINC000602975873 351076502 /nfs/dbraw/zinc/07/65/02/351076502.db2.gz IFBWYQIXDZICTR-IUODEOHRSA-N 0 1 289.354 2.778 20 30 CFEDMN CC[C@@]1(O)CCCN(Cc2cn3ccccc3c2C#N)C1 ZINC000602981953 351083395 /nfs/dbraw/zinc/08/33/95/351083395.db2.gz LRSRBCFCUPHKAR-QGZVFWFLSA-N 0 1 283.375 2.548 20 30 CFEDMN C=C(C)CN(CC)C(=O)[C@H](C)N1C[C@H](C)S[C@@H](C)C1 ZINC000608502818 351448183 /nfs/dbraw/zinc/44/81/83/351448183.db2.gz CGMNGSVYNIYZQJ-IHRRRGAJSA-N 0 1 284.469 2.625 20 30 CFEDMN C[C@@H](CN(C)CC(=O)N[C@](C)(C#N)C1CC1)c1ccccc1 ZINC000608977208 351482902 /nfs/dbraw/zinc/48/29/02/351482902.db2.gz LDQNKOURERAGNN-KBXCAEBGSA-N 0 1 299.418 2.530 20 30 CFEDMN CCCc1cc(C(=O)N(CCC#N)CC(C)(C)C)n[nH]1 ZINC000609191489 351490732 /nfs/dbraw/zinc/49/07/32/351490732.db2.gz IGXHAZYXODJWLB-UHFFFAOYSA-N 0 1 276.384 2.764 20 30 CFEDMN Cc1cccc2c1ncc(C#N)c2N1CCN(C(C)C)CC1 ZINC000610211384 351540465 /nfs/dbraw/zinc/54/04/65/351540465.db2.gz SJSUREKOTCKMEO-UHFFFAOYSA-N 0 1 294.402 2.945 20 30 CFEDMN CC(C)(C(=O)NOC/C=C/Cl)c1cc(F)cc(C#N)c1 ZINC000291429402 198019240 /nfs/dbraw/zinc/01/92/40/198019240.db2.gz ADRZZHFSWODQLY-ONEGZZNKSA-N 0 1 296.729 2.775 20 30 CFEDMN CCC(C)(C)NC(=O)[C@H](C)N[C@@H](C)c1cccc(C#N)c1 ZINC000610343205 351556043 /nfs/dbraw/zinc/55/60/43/351556043.db2.gz BAIXDTREPICGNZ-STQMWFEESA-N 0 1 287.407 2.902 20 30 CFEDMN C[C@@H](NC(=O)c1ccc(F)cc1O)c1cccc(C#N)c1 ZINC000611005974 351633687 /nfs/dbraw/zinc/63/36/87/351633687.db2.gz OHIHNOASLJWEKQ-SNVBAGLBSA-N 0 1 284.290 2.894 20 30 CFEDMN Cc1nnc([C@H]2CCCN(Cc3ccc(C#N)s3)C2)o1 ZINC000611267437 351661466 /nfs/dbraw/zinc/66/14/66/351661466.db2.gz GCAHIIXLNRXSOZ-NSHDSACASA-N 0 1 288.376 2.691 20 30 CFEDMN CC(C)[C@H]1CC[C@H](C(=O)NC2(C#N)CCN(C)CC2)CC1 ZINC000611076076 351637456 /nfs/dbraw/zinc/63/74/56/351637456.db2.gz KLGYPIYENYUUQB-SHTZXODSSA-N 0 1 291.439 2.553 20 30 CFEDMN N#Cc1cccc(-c2nnc(CN3CCC4(CC4)CC3)o2)c1 ZINC000611177413 351647472 /nfs/dbraw/zinc/64/74/72/351647472.db2.gz JGOSXKXPYHIIBO-UHFFFAOYSA-N 0 1 294.358 2.984 20 30 CFEDMN CC(C)(C)NC(=O)C(C#N)c1nc2cc(F)ccc2s1 ZINC000611249150 351657068 /nfs/dbraw/zinc/65/70/68/351657068.db2.gz QWBRGEBFUWPCHD-VIFPVBQESA-N 0 1 291.351 2.957 20 30 CFEDMN CCCC(=O)NC1CCN(Cc2cc(C#N)cs2)CC1 ZINC000611261202 351659991 /nfs/dbraw/zinc/65/99/91/351659991.db2.gz JWZXMPJITCBPFF-UHFFFAOYSA-N 0 1 291.420 2.500 20 30 CFEDMN C[C@H](NCc1cc(C(N)=O)cs1)c1cccc(C#N)c1 ZINC000610889971 351618989 /nfs/dbraw/zinc/61/89/89/351618989.db2.gz ZKKWOGBYULQXBM-JTQLQIEISA-N 0 1 285.372 2.569 20 30 CFEDMN CCc1nc([C@H](C)N[C@@H]2CCCc3cc(C#N)ccc32)n[nH]1 ZINC000611395276 351681988 /nfs/dbraw/zinc/68/19/88/351681988.db2.gz ZVTLAZLSVZMGPS-XHDPSFHLSA-N 0 1 295.390 2.967 20 30 CFEDMN C[C@@H]1CCN(CCC(=O)Nc2ccc(C#N)cc2)C[C@@H]1F ZINC000611502004 351699215 /nfs/dbraw/zinc/69/92/15/351699215.db2.gz LQZYZYQORBVZPF-DOMZBBRYSA-N 0 1 289.354 2.567 20 30 CFEDMN C[C@@H]1CCN(CCC(=O)Nc2ccccc2C#N)C[C@@H]1F ZINC000611502611 351700214 /nfs/dbraw/zinc/70/02/14/351700214.db2.gz VWARCSSCAIBNLX-OCCSQVGLSA-N 0 1 289.354 2.567 20 30 CFEDMN C=CCN(CCc1ccco1)Cc1ccnc(C#N)c1 ZINC000611518098 351703734 /nfs/dbraw/zinc/70/37/34/351703734.db2.gz XHYBABRXQHTNAZ-UHFFFAOYSA-N 0 1 267.332 2.777 20 30 CFEDMN CCc1nn(C)cc1CNC1(c2cccc(C#N)c2)CC1 ZINC000611292802 351665212 /nfs/dbraw/zinc/66/52/12/351665212.db2.gz KIFYUABESNPWBQ-UHFFFAOYSA-N 0 1 280.375 2.633 20 30 CFEDMN N#Cc1cc(CN2CCC(Cc3cccnc3)CC2)ccn1 ZINC000611303110 351666902 /nfs/dbraw/zinc/66/69/02/351666902.db2.gz AKWYZVCZEZJYEF-UHFFFAOYSA-N 0 1 292.386 2.803 20 30 CFEDMN C[C@@H](NCc1ccnc(C#N)c1)c1ccc([S@](C)=O)cc1 ZINC000611799169 351741669 /nfs/dbraw/zinc/74/16/69/351741669.db2.gz HUDOXBKTQSLKGD-GTJPDFRWSA-N 0 1 299.399 2.541 20 30 CFEDMN N#Cc1cccc(CN2CCC[C@H](OC(F)F)C2)c1 ZINC000611579214 351710967 /nfs/dbraw/zinc/71/09/67/351710967.db2.gz SWMMBPGJRYAYGR-ZDUSSCGKSA-N 0 1 266.291 2.762 20 30 CFEDMN N#Cc1ccc(CN2CCC[C@H](OC(F)F)C2)cc1 ZINC000611578398 351711449 /nfs/dbraw/zinc/71/14/49/351711449.db2.gz CIQIOFUOWROZQY-ZDUSSCGKSA-N 0 1 266.291 2.762 20 30 CFEDMN Cc1n[nH]c(C(C)C)c1C(=O)N1CCC[C@](C)(C#N)C1 ZINC000612365866 351808626 /nfs/dbraw/zinc/80/86/26/351808626.db2.gz APTZRORFGANPBA-OAHLLOKOSA-N 0 1 274.368 2.607 20 30 CFEDMN N#Cc1ccc(F)c(CN2CCCC[C@H]2c2nnc[nH]2)c1 ZINC000121712867 186990983 /nfs/dbraw/zinc/99/09/83/186990983.db2.gz YKGRVNQLUCDVLS-AWEZNQCLSA-N 0 1 285.326 2.543 20 30 CFEDMN COc1cccc(NC(=O)C[C@@H](C)NCC(C)(C)C#N)c1 ZINC000612585954 351839492 /nfs/dbraw/zinc/83/94/92/351839492.db2.gz ZRPOETJBXYUOIL-GFCCVEGCSA-N 0 1 289.379 2.552 20 30 CFEDMN C=CCCCS(=O)(=O)Nc1cc(-c2ccc(C)o2)[nH]n1 ZINC000291911772 198103642 /nfs/dbraw/zinc/10/36/42/198103642.db2.gz SMTKUGRQOHFPIY-UHFFFAOYSA-N 0 1 295.364 2.686 20 30 CFEDMN N#Cc1cc(CN2CC[C@]3(C2)OCc2ccccc23)ccn1 ZINC000613746095 352003423 /nfs/dbraw/zinc/00/34/23/352003423.db2.gz VXQZJLHZKSKVAW-GOSISDBHSA-N 0 1 291.354 2.585 20 30 CFEDMN CCCCN(CC(N)=O)Cc1ccc(C(C)(C)C#N)cc1 ZINC000614160782 352054365 /nfs/dbraw/zinc/05/43/65/352054365.db2.gz FLYYNJYNNGSDAM-UHFFFAOYSA-N 0 1 287.407 2.575 20 30 CFEDMN CO[C@]1(C(F)(F)F)CCCN(CCC(C)(C)C#N)C1 ZINC000614924882 352132800 /nfs/dbraw/zinc/13/28/00/352132800.db2.gz ORPOFLXTZSAAOX-GFCCVEGCSA-N 0 1 278.318 2.970 20 30 CFEDMN CCN1C[C@H](C)[N@H+](Cc2ccc(C#N)cc2C)C[C@@H]1C ZINC000614403440 352090121 /nfs/dbraw/zinc/09/01/21/352090121.db2.gz YJPTWRINYDDEKO-GJZGRUSLSA-N 0 1 271.408 2.781 20 30 CFEDMN C=C(C)[C@@H](CC(=O)NCc1ccc2nc[nH]c2c1)OCC ZINC000615792137 352242090 /nfs/dbraw/zinc/24/20/90/352242090.db2.gz NCUPSFSLAAKATQ-OAHLLOKOSA-N 0 1 287.363 2.550 20 30 CFEDMN C=CC[C@H](C(=O)N(C)Cc1cnc[nH]1)c1ccccc1 ZINC000616927542 352442070 /nfs/dbraw/zinc/44/20/70/352442070.db2.gz KVVYZOKDVPRCKB-HNNXBMFYSA-N 0 1 269.348 2.728 20 30 CFEDMN C=CC[C@@H]1CCCC[C@H]1NC(=O)CN(C)[C@H]1CCSC1 ZINC000617041641 352476389 /nfs/dbraw/zinc/47/63/89/352476389.db2.gz GYYBZWHVIHTRGV-QLFBSQMISA-N 0 1 296.480 2.675 20 30 CFEDMN C=CC[C@@H]1CCCC[C@H]1NC(=O)[C@H]1CCc2[nH]cnc2C1 ZINC000617044054 352479028 /nfs/dbraw/zinc/47/90/28/352479028.db2.gz IDCAELNTRUBEFJ-HZSPNIEDSA-N 0 1 287.407 2.766 20 30 CFEDMN C=CCN(C(=O)c1cc(C)cc2c[nH]nc21)[C@H](C)COC ZINC000617578510 352594559 /nfs/dbraw/zinc/59/45/59/352594559.db2.gz LMDRWSGZVIICTA-GFCCVEGCSA-N 0 1 287.363 2.534 20 30 CFEDMN C=CC[C@H]1CCCN(C(=O)[C@H]2CCCc3[nH]ncc32)C1 ZINC000617782612 352644750 /nfs/dbraw/zinc/64/47/50/352644750.db2.gz IZNKDFLDYHBCOH-STQMWFEESA-N 0 1 273.380 2.644 20 30 CFEDMN C=CC[C@@H]1CCCN(C(=O)c2ccc(F)cc2O)C1 ZINC000617781966 352644967 /nfs/dbraw/zinc/64/49/67/352644967.db2.gz WGAIRNBJNRKQCZ-LLVKDONJSA-N 0 1 263.312 2.960 20 30 CFEDMN CC(C)(C)c1n[nH]c(SCc2ccc(C#N)cn2)n1 ZINC000618910719 352908679 /nfs/dbraw/zinc/90/86/79/352908679.db2.gz OZUYVOVEHXLUJG-UHFFFAOYSA-N 0 1 273.365 2.661 20 30 CFEDMN CC(C)(C)c1nc(SCc2ccc(C#N)cn2)n[nH]1 ZINC000618910719 352908683 /nfs/dbraw/zinc/90/86/83/352908683.db2.gz OZUYVOVEHXLUJG-UHFFFAOYSA-N 0 1 273.365 2.661 20 30 CFEDMN C=CCC1(NC(=O)CN2CCC(C)CC2)CCCC1 ZINC000619107480 352954571 /nfs/dbraw/zinc/95/45/71/352954571.db2.gz BYNYLWNERHPELA-UHFFFAOYSA-N 0 1 264.413 2.723 20 30 CFEDMN N#Cc1ccc(CNCc2cncs2)cc1Cl ZINC000619748216 353062920 /nfs/dbraw/zinc/06/29/20/353062920.db2.gz BCPGDOILEVAWOX-UHFFFAOYSA-N 0 1 263.753 2.958 20 30 CFEDMN CCN(Cc1n[nH]c(C)n1)[C@@H](C)c1ccc(C#N)cc1 ZINC000292262205 198222348 /nfs/dbraw/zinc/22/23/48/198222348.db2.gz VTKSMXIAAKUDES-NSHDSACASA-N 0 1 269.352 2.568 20 30 CFEDMN C=C(C)CNC(=O)[C@H](c1ccccc1)N(CC)CC ZINC000154362113 188138017 /nfs/dbraw/zinc/13/80/17/188138017.db2.gz QOWJVWTZTALNFF-HNNXBMFYSA-N 0 1 260.381 2.762 20 30 CFEDMN C=CCNC(=O)[C@@H](C)Sc1nc2ccc(C)cc2[nH]1 ZINC000007060949 539988286 /nfs/dbraw/zinc/98/82/86/539988286.db2.gz HIUIPVDZNVPOFE-SNVBAGLBSA-N 0 1 275.377 2.654 20 30 CFEDMN C[C@H]1CCN(Cc2cc(C#N)ccc2F)C[C@@H]1n1ccnc1 ZINC000156452438 188263825 /nfs/dbraw/zinc/26/38/25/188263825.db2.gz IEYOAFNTWCHQAJ-GUYCJALGSA-N 0 1 298.365 2.977 20 30 CFEDMN C=CCN(Cc1ccc(F)c(F)c1)[C@H](C)COC ZINC000621317550 353321542 /nfs/dbraw/zinc/32/15/42/353321542.db2.gz KEUHGLXUUNUSHQ-LLVKDONJSA-N 0 1 255.308 2.988 20 30 CFEDMN C[C@H]1CCN(CC#Cc2ccc(Cl)cc2)C[C@@H]1CO ZINC000621366311 353339641 /nfs/dbraw/zinc/33/96/41/353339641.db2.gz JJVMMQBMWZCVFA-DZGCQCFKSA-N 0 1 277.795 2.642 20 30 CFEDMN CC1(C)CC[C@@H](CO)N(CC#Cc2ccccc2)C1 ZINC000621381686 353347445 /nfs/dbraw/zinc/34/74/45/353347445.db2.gz ZKOUXXCVGGDJDU-INIZCTEOSA-N 0 1 257.377 2.521 20 30 CFEDMN CN(CCc1nccs1)Cc1ccc(C#N)cc1F ZINC000157965371 188349637 /nfs/dbraw/zinc/34/96/37/188349637.db2.gz CXJPYXQESVFXMB-UHFFFAOYSA-N 0 1 275.352 2.828 20 30 CFEDMN N#Cc1ccc([C@@H](O)CN2CCc3cccc(F)c3C2)cc1 ZINC000158048819 188354760 /nfs/dbraw/zinc/35/47/60/188354760.db2.gz UAYOXWCDIYVTCD-SFHVURJKSA-N 0 1 296.345 2.789 20 30 CFEDMN C=CCN(CCc1ccco1)Cc1nccnc1C ZINC000621721368 353404918 /nfs/dbraw/zinc/40/49/18/353404918.db2.gz MEWLPLRLRIAFHM-UHFFFAOYSA-N 0 1 257.337 2.609 20 30 CFEDMN C=CCCCN(C)C(=O)[C@H]1C[C@@H](C)Cc2c[nH]nc21 ZINC000623195366 353592047 /nfs/dbraw/zinc/59/20/47/353592047.db2.gz HTXUJWHQJJDKKR-AAEUAGOBSA-N 0 1 261.369 2.500 20 30 CFEDMN C=CCN(CC=C)C(=O)CN[C@@H](C)c1ccc(OC)cc1 ZINC000271711184 191285314 /nfs/dbraw/zinc/28/53/14/191285314.db2.gz VCZKMYKATUKDDD-AWEZNQCLSA-N 0 1 288.391 2.546 20 30 CFEDMN C=CCN(CCOC1CCOCC1)Cc1cccs1 ZINC000625057705 353972886 /nfs/dbraw/zinc/97/28/86/353972886.db2.gz XHJCEIXRORWNHZ-UHFFFAOYSA-N 0 1 281.421 2.932 20 30 CFEDMN C=C(C)CN(CC)CC(=O)N(CCC)CC(F)(F)F ZINC000625063885 353973494 /nfs/dbraw/zinc/97/34/94/353973494.db2.gz ZYCVVEAFHATRIU-UHFFFAOYSA-N 0 1 280.334 2.685 20 30 CFEDMN C=C[C@@H]1OCCC[C@H]1NCc1cc(O)ccc1Cl ZINC000625460444 354053638 /nfs/dbraw/zinc/05/36/38/354053638.db2.gz NWBICEVIKNYCCQ-KGLIPLIRSA-N 0 1 267.756 2.869 20 30 CFEDMN C=CC[C@@H]1CCN(CC(=O)Nc2ccc(C)c(F)c2)C1 ZINC000625704033 354091172 /nfs/dbraw/zinc/09/11/72/354091172.db2.gz RGYPHUBUHPSQMQ-CYBMUJFWSA-N 0 1 276.355 2.971 20 30 CFEDMN C=CCC1(NCc2nc(COC)no2)CCCCC1 ZINC000625935292 354149112 /nfs/dbraw/zinc/14/91/12/354149112.db2.gz UMLGUUFPAXKMGQ-UHFFFAOYSA-N 0 1 265.357 2.585 20 30 CFEDMN CC#CCCN1CCN(Cc2cc3ccccc3[nH]2)CC1 ZINC000626075601 354187321 /nfs/dbraw/zinc/18/73/21/354187321.db2.gz NWYBHPSHJSJDOM-UHFFFAOYSA-N 0 1 281.403 2.699 20 30 CFEDMN N#Cc1cccc(OC2CCN([C@@H]3CCCNC3=O)CC2)c1 ZINC000328686959 202013552 /nfs/dbraw/zinc/01/35/52/202013552.db2.gz YQSMXBUEPOPLSA-MRXNPFEDSA-N 0 1 299.374 2.520 20 30 CFEDMN CCn1cc(C(=O)C(C#N)c2nc3ccccc3[nH]2)c(C)n1 ZINC000626283979 354244289 /nfs/dbraw/zinc/24/42/89/354244289.db2.gz YWYIZJMPFJPGKN-LLVKDONJSA-N 0 1 293.330 2.578 20 30 CFEDMN C=CC[C@@H](C(=O)N1CCc2nc[nH]c2C1)c1ccccc1 ZINC000627370803 354364047 /nfs/dbraw/zinc/36/40/47/354364047.db2.gz NAXVSPNCDXZRTR-CQSZACIVSA-N 0 1 281.359 2.654 20 30 CFEDMN C#CC[C@@H](NCC(=O)N(C(C)C)C(C)C)c1ccccc1 ZINC000271748422 191303671 /nfs/dbraw/zinc/30/36/71/191303671.db2.gz WZXHKCNBBJBGBD-QGZVFWFLSA-N 0 1 286.419 2.986 20 30 CFEDMN C=CC[C@H]1CCN(Cc2cn(-c3ccccc3C)nn2)C1 ZINC000628407146 354580114 /nfs/dbraw/zinc/58/01/14/354580114.db2.gz ZYEFBPCBXHGDOO-HNNXBMFYSA-N 0 1 282.391 2.974 20 30 CFEDMN C=CCCn1cc(CN2CC[C@H](c3ccc(O)cc3)C2)nn1 ZINC000628481683 354601370 /nfs/dbraw/zinc/60/13/70/354601370.db2.gz OKFYCOYYGQNFJY-HNNXBMFYSA-N 0 1 298.390 2.549 20 30 CFEDMN C=CC[C@H]1CCN(C(=O)c2cccc3[nH]cnc32)C1 ZINC000628488860 354605257 /nfs/dbraw/zinc/60/52/57/354605257.db2.gz KDXQXZBTHLRCIS-NSHDSACASA-N 0 1 255.321 2.601 20 30 CFEDMN CC(C)(C)CCNC(=O)CNC1(c2cccc(C#N)c2)CC1 ZINC000271786307 191326244 /nfs/dbraw/zinc/32/62/44/191326244.db2.gz MNYZKGDQLBDCMA-UHFFFAOYSA-N 0 1 299.418 2.689 20 30 CFEDMN N#Cc1cc2c(nc1N1CCN3CCCC[C@@H]3C1)CCCC2 ZINC000301581868 283116195 /nfs/dbraw/zinc/11/61/95/283116195.db2.gz PUFYSIIMNZVHRU-MRXNPFEDSA-N 0 1 296.418 2.507 20 30 CFEDMN C=CCCC(C)(C)CNC(=O)CN(C)[C@@H]1CCSC1 ZINC000633964863 356045016 /nfs/dbraw/zinc/04/50/16/356045016.db2.gz FLPOYYNAYUOHJM-CYBMUJFWSA-N 0 1 284.469 2.532 20 30 CFEDMN Cc1csc(C(C#N)C(=O)c2cnn(C(F)F)c2)n1 ZINC000633894585 356029082 /nfs/dbraw/zinc/02/90/82/356029082.db2.gz NOCNESVBWZGBFV-QMMMGPOBSA-N 0 1 282.275 2.533 20 30 CFEDMN N#Cc1ccc(S(=O)(=O)Nc2cc(F)cc(F)c2)cc1 ZINC000019485467 283185709 /nfs/dbraw/zinc/18/57/09/283185709.db2.gz OQMPNDXWKIKDDG-UHFFFAOYSA-N 0 1 294.282 2.637 20 30 CFEDMN C=CCC[C@H](O)CN1CCN(c2ccccc2F)C[C@@H]1C ZINC000249129827 540281065 /nfs/dbraw/zinc/28/10/65/540281065.db2.gz USBKAHSQDHWKOW-GJZGRUSLSA-N 0 1 292.398 2.663 20 30 CFEDMN C=CC(C)(C)C(=O)NC[C@@H](C)N1CCc2ccccc2C1 ZINC000294505417 199065728 /nfs/dbraw/zinc/06/57/28/199065728.db2.gz VNFGJCKSBXJOBO-CQSZACIVSA-N 0 1 286.419 2.762 20 30 CFEDMN Cc1csc(C(C#N)C(=O)c2cnn(C)c2C2CC2)n1 ZINC000146844830 540356350 /nfs/dbraw/zinc/35/63/50/540356350.db2.gz OGFLQRKIOFFEBS-JTQLQIEISA-N 0 1 286.360 2.553 20 30 CFEDMN CC1(C)C[N@@H+](CC#Cc2ccc(Cl)cc2)CC[C@H]1O ZINC000275518093 540441851 /nfs/dbraw/zinc/44/18/51/540441851.db2.gz UQJKQMNVKFZEQL-OAHLLOKOSA-N 0 1 277.795 2.784 20 30 CFEDMN CC1(C)CN(CC#Cc2ccc(Cl)cc2)CC[C@H]1O ZINC000275518093 540441856 /nfs/dbraw/zinc/44/18/56/540441856.db2.gz UQJKQMNVKFZEQL-OAHLLOKOSA-N 0 1 277.795 2.784 20 30 CFEDMN C=CCCCCN1CCc2c(nnn2-c2ccccc2)C1 ZINC000515773150 540663114 /nfs/dbraw/zinc/66/31/14/540663114.db2.gz IUVNALFSLJNBAH-UHFFFAOYSA-N 0 1 282.391 2.982 20 30 CFEDMN CCCNC(=O)CN(CCC)[C@H](C)c1cccc(C#N)c1 ZINC000298025496 200319202 /nfs/dbraw/zinc/31/92/02/200319202.db2.gz DTHMKUQVQVAEFQ-CQSZACIVSA-N 0 1 287.407 2.857 20 30 CFEDMN C#CCNC(=O)[C@H](C)Nc1ccc(N2CCCCCC2)cc1 ZINC000298113252 200336229 /nfs/dbraw/zinc/33/62/29/200336229.db2.gz QLMMLAURSFRXJZ-HNNXBMFYSA-N 0 1 299.418 2.617 20 30 CFEDMN Cc1nn(C)cc1[C@@H](C)NCc1ccc(C#N)s1 ZINC000176963094 189017404 /nfs/dbraw/zinc/01/74/04/189017404.db2.gz VHPJXNRARVOMEQ-SECBINFHSA-N 0 1 260.366 2.513 20 30 CFEDMN C=CCN(CCc1ccco1)[C@@H](C)c1cnccn1 ZINC000298897275 200559367 /nfs/dbraw/zinc/55/93/67/200559367.db2.gz MDEAFROBMKGMIO-ZDUSSCGKSA-N 0 1 257.337 2.861 20 30 CFEDMN C=CC[C@@H]1N(C(=O)N[C@H]2CCCN(C)C2)CCCC1(C)C ZINC000683542131 540770728 /nfs/dbraw/zinc/77/07/28/540770728.db2.gz CZWGQLGMKKJWHR-GJZGRUSLSA-N 0 1 293.455 2.857 20 30 CFEDMN C=CCNC(=O)CN[C@H](C)c1sc(C(C)C)nc1C ZINC000180036786 189233657 /nfs/dbraw/zinc/23/36/57/189233657.db2.gz YTIHHBLFFOUONF-SNVBAGLBSA-N 0 1 281.425 2.528 20 30 CFEDMN C[C@H]1CCN(Cc2ccc(C#N)s2)C[C@@H]1n1ccnc1 ZINC000180611947 189265116 /nfs/dbraw/zinc/26/51/16/189265116.db2.gz UREMXVMKLOSTAE-WFASDCNBSA-N 0 1 286.404 2.899 20 30 CFEDMN Cc1ccc(CN(CCO)Cc2ccc(C#N)s2)cc1 ZINC000180843968 189279443 /nfs/dbraw/zinc/27/94/43/189279443.db2.gz FSCSBGHNAPYWKQ-UHFFFAOYSA-N 0 1 286.400 2.923 20 30 CFEDMN C=C(C)CN(Cc1cnn(C(C)C)c1)[C@H](CO)C(=C)C ZINC000671724676 541058724 /nfs/dbraw/zinc/05/87/24/541058724.db2.gz OCLLNZQMPRBTTO-MRXNPFEDSA-N 0 1 277.412 2.779 20 30 CFEDMN C[C@@H](N[C@@H]1CCN(C(C)(C)C)C1=O)c1ccc(C#N)cc1 ZINC000424114353 238674721 /nfs/dbraw/zinc/67/47/21/238674721.db2.gz QOPZOBZDJRJTHG-IUODEOHRSA-N 0 1 285.391 2.608 20 30 CFEDMN Cc1c([C@H](C)NCc2ccc(F)c(C#N)c2)cnn1C ZINC000183432939 189358810 /nfs/dbraw/zinc/35/88/10/189358810.db2.gz PNSACVNLLKMYIG-JTQLQIEISA-N 0 1 272.327 2.590 20 30 CFEDMN COC[C@H](NCCOc1cccc(C#N)c1)c1ccco1 ZINC000184514615 189388365 /nfs/dbraw/zinc/38/83/65/189388365.db2.gz LYBHRLPATIUFEE-HNNXBMFYSA-N 0 1 286.331 2.507 20 30 CFEDMN N#Cc1ccc(NC[C@@H](c2ccco2)N2CCCCC2)nn1 ZINC000301829526 201222790 /nfs/dbraw/zinc/22/27/90/201222790.db2.gz GWSPFIYTPUZYEU-AWEZNQCLSA-N 0 1 297.362 2.580 20 30 CFEDMN CN1CC[C@@H](Nc2ccc(C#N)cn2)[C@@H]1c1ccc(F)cc1 ZINC000301843048 201227936 /nfs/dbraw/zinc/22/79/36/201227936.db2.gz KKAYLDMOMVQHGN-WBVHZDCISA-N 0 1 296.349 2.950 20 30 CFEDMN N#Cc1ccc(C[NH2+][C@@H](C(=O)[O-])c2cccs2)cc1 ZINC000426797433 239264382 /nfs/dbraw/zinc/26/43/82/239264382.db2.gz BHMBGIHQYDNBBP-CYBMUJFWSA-N 0 1 272.329 2.535 20 30 CFEDMN C=CCCOCCNCc1cccc(OC)c1F ZINC000194156264 541412082 /nfs/dbraw/zinc/41/20/82/541412082.db2.gz KMYSMKVNPWTFTB-UHFFFAOYSA-N 0 1 253.317 2.517 20 30 CFEDMN C=C[C@@](C)(CCOC)C(=O)Nc1ccc2nc[nH]c2c1 ZINC000275843087 193144831 /nfs/dbraw/zinc/14/48/31/193144831.db2.gz VDCXYZNOOOCDCI-HNNXBMFYSA-N 0 1 273.336 2.730 20 30 CFEDMN Cc1cc(CN[C@H](C)C(=O)N2CCCC[C@@H]2C)ccc1C#N ZINC000443970730 241099422 /nfs/dbraw/zinc/09/94/22/241099422.db2.gz SHBGDFXHVOVVMV-LSDHHAIUSA-N 0 1 299.418 2.746 20 30 CFEDMN COc1cc(CNCc2ccc(C#N)c(C)c2)ccn1 ZINC000443979591 241100646 /nfs/dbraw/zinc/10/06/46/241100646.db2.gz PEPRGLBNWRHSNV-UHFFFAOYSA-N 0 1 267.332 2.560 20 30 CFEDMN Cc1nn(C)c(C)c1CNCc1ccc(C#N)c(C)c1 ZINC000443983156 241100821 /nfs/dbraw/zinc/10/08/21/241100821.db2.gz RCBAMFJHJGHMQQ-UHFFFAOYSA-N 0 1 268.364 2.507 20 30 CFEDMN N#Cc1ccc(C(=O)Nc2cnc3c(c2)CCCC3)cc1O ZINC000443132409 241041333 /nfs/dbraw/zinc/04/13/33/241041333.db2.gz LZVKEQBPYADIFE-UHFFFAOYSA-N 0 1 293.326 2.790 20 30 CFEDMN C[C@@H](O)[C@@H]1C[C@H](C)CCN1Cc1cc(C#N)ccc1F ZINC000443350070 241054742 /nfs/dbraw/zinc/05/47/42/241054742.db2.gz ZMNIUIWXJVQLFE-HSMVNMDESA-N 0 1 276.355 2.679 20 30 CFEDMN CC(C)[C@H]1CCC[N@@H+](CC(=O)NCc2cccc(C#N)c2)C1 ZINC000444756130 241187125 /nfs/dbraw/zinc/18/71/25/241187125.db2.gz QHDMWYPMUIFWIW-KRWDZBQOSA-N 0 1 299.418 2.542 20 30 CFEDMN CC[C@@H]1CN(CC)CCN1Cc1ccc(C#N)s1 ZINC000449567857 242038194 /nfs/dbraw/zinc/03/81/94/242038194.db2.gz YWQDWBANISQVOF-GFCCVEGCSA-N 0 1 263.410 2.536 20 30 CFEDMN OCC[C@@H]1CCCN(CC#Cc2ccc(Cl)cc2)C1 ZINC000674251428 541551679 /nfs/dbraw/zinc/55/16/79/541551679.db2.gz SJOSOBMKLJOAGX-HNNXBMFYSA-N 0 1 277.795 2.786 20 30 CFEDMN COC[C@@H]1CCCCN1Cc1cc(C#N)cs1 ZINC000449760746 242144821 /nfs/dbraw/zinc/14/48/21/242144821.db2.gz RBQKKKKDMQDOHZ-LBPRGKRZSA-N 0 1 250.367 2.621 20 30 CFEDMN C=C[C@](C)(CC)C(=O)N[C@H](C)c1n[nH]c(C(C)C)n1 ZINC000275925005 193164487 /nfs/dbraw/zinc/16/44/87/193164487.db2.gz BJFADPIPONVUKF-QMTHXVAHSA-N 0 1 264.373 2.708 20 30 CFEDMN C=C[C@@](C)(CC)C(=O)Nc1ncc(C(F)(F)F)[nH]1 ZINC000276050538 193199158 /nfs/dbraw/zinc/19/91/58/193199158.db2.gz XXGFAEPPYMGXFY-JTQLQIEISA-N 0 1 261.247 2.969 20 30 CFEDMN C[C@](CO)(NCC#Cc1ccc(F)cc1)c1ccccc1 ZINC000676559026 541766859 /nfs/dbraw/zinc/76/68/59/541766859.db2.gz XAFLVBXQXYLSLG-GOSISDBHSA-N 0 1 283.346 2.675 20 30 CFEDMN OCC[C@H]1CCCN(CC#Cc2cccc(Cl)c2)C1 ZINC000676558425 541767224 /nfs/dbraw/zinc/76/72/24/541767224.db2.gz LYFQQMULEWMSSL-OAHLLOKOSA-N 0 1 277.795 2.786 20 30 CFEDMN C=CCCN(C)CC(=O)NCc1ccc(OCCC)cc1 ZINC000276351852 193296353 /nfs/dbraw/zinc/29/63/53/193296353.db2.gz DKAUMIRFNKROOP-UHFFFAOYSA-N 0 1 290.407 2.600 20 30 CFEDMN C=CCCN(C)[C@H](C)C(=O)Nc1cccc(F)c1 ZINC000276386756 193310407 /nfs/dbraw/zinc/31/04/07/193310407.db2.gz IUQUOPNTSGHIDA-LLVKDONJSA-N 0 1 250.317 2.661 20 30 CFEDMN C=CCCN(C)[C@H](C(=O)NC1CC1)c1ccccc1 ZINC000276449973 193336172 /nfs/dbraw/zinc/33/61/72/193336172.db2.gz PKNRQDXFIBPIEX-HNNXBMFYSA-N 0 1 258.365 2.514 20 30 CFEDMN C=CCCN(C)CC(=O)Nc1sc(C)c(C)c1C#N ZINC000276530375 193369423 /nfs/dbraw/zinc/36/94/23/193369423.db2.gz ZVGXYTYBKLTRGG-UHFFFAOYSA-N 0 1 277.393 2.683 20 30 CFEDMN COC(=O)CC1(NCc2ccc(Cl)cc2C#N)CCC1 ZINC000459384065 245161226 /nfs/dbraw/zinc/16/12/26/245161226.db2.gz CJEIKJLJNWXHGQ-UHFFFAOYSA-N 0 1 292.766 2.787 20 30 CFEDMN COc1cc(CNCc2cnc(C3CC3)nc2)ccc1C#N ZINC000459562915 245220638 /nfs/dbraw/zinc/22/06/38/245220638.db2.gz NXFCSKHXZDEHHE-UHFFFAOYSA-N 0 1 294.358 2.524 20 30 CFEDMN C=CCC[C@H](O)CN1CCC[C@H]1c1csc(C)n1 ZINC000249453457 261253069 /nfs/dbraw/zinc/25/30/69/261253069.db2.gz MXLZFLBMLBVFCS-JSGCOSHPSA-N 0 1 266.410 2.916 20 30 CFEDMN COCC#CCN1CCC[C@@H](c2nc3ccccc3o2)C1 ZINC000677480285 541865282 /nfs/dbraw/zinc/86/52/82/541865282.db2.gz WKMHJMBWCPQTNO-CQSZACIVSA-N 0 1 284.359 2.657 20 30 CFEDMN CN(Cc1cccc(C#N)c1)C[C@@H]1COc2ccccc2O1 ZINC000016378865 372105149 /nfs/dbraw/zinc/10/51/49/372105149.db2.gz SIUXLSXJVSIKPG-MRXNPFEDSA-N 0 1 294.354 2.830 20 30 CFEDMN CCN1CCN([C@@H](C#N)c2ccc(Cl)cc2)CC1 ZINC000019934434 372212604 /nfs/dbraw/zinc/21/26/04/372212604.db2.gz HWLZISXSKCTWHH-AWEZNQCLSA-N 0 1 263.772 2.542 20 30 CFEDMN COc1ccccc1CNCc1ccc(C#N)cc1 ZINC000019903211 372203516 /nfs/dbraw/zinc/20/35/16/372203516.db2.gz NLXGQVSWMQEKSK-UHFFFAOYSA-N 0 1 252.317 2.857 20 30 CFEDMN C=CCN(CC=C)C(=O)c1ccc(CN2CCCC2)o1 ZINC000027984545 372355703 /nfs/dbraw/zinc/35/57/03/372355703.db2.gz RPOUQHBHXRVWSK-UHFFFAOYSA-N 0 1 274.364 2.690 20 30 CFEDMN CN(CCC(=O)Nc1ccccc1C#N)Cc1ccco1 ZINC000030276725 372392632 /nfs/dbraw/zinc/39/26/32/372392632.db2.gz CQPYIHPTYKDRTD-UHFFFAOYSA-N 0 1 283.331 2.612 20 30 CFEDMN C[C@H](C1CC1)N(CC(=O)Nc1sccc1C#N)C1CC1 ZINC000031654438 372414398 /nfs/dbraw/zinc/41/43/98/372414398.db2.gz KMNMHVCFQPUBPD-SNVBAGLBSA-N 0 1 289.404 2.821 20 30 CFEDMN CC[C@H](NCc1ccc(C#N)cn1)c1c(C)nn(C)c1C ZINC000571307599 383683106 /nfs/dbraw/zinc/68/31/06/383683106.db2.gz JGBKATAKRWBIBR-HNNXBMFYSA-N 0 1 283.379 2.545 20 30 CFEDMN N#Cc1cccc(CNCc2cccc([N+](=O)[O-])c2)c1 ZINC000037748764 372696407 /nfs/dbraw/zinc/69/64/07/372696407.db2.gz YPDHYMFRDXSGCT-UHFFFAOYSA-N 0 1 267.288 2.756 20 30 CFEDMN N#CC(C(=O)CC1(c2ccccc2)CC1)c1ccncn1 ZINC000528987383 383684831 /nfs/dbraw/zinc/68/48/31/383684831.db2.gz MWQSVVNZIVMFMY-AWEZNQCLSA-N 0 1 277.327 2.775 20 30 CFEDMN C=CCCCC[N@H+]1CCc2nnn(C3CC(C)C3)c2C1 ZINC000640038882 383684969 /nfs/dbraw/zinc/68/49/69/383684969.db2.gz LORHFDMDWBPIIT-UHFFFAOYSA-N 0 1 274.412 2.964 20 30 CFEDMN C=CCCCCN1CCc2nnn(C3CC(C)C3)c2C1 ZINC000640038882 383684971 /nfs/dbraw/zinc/68/49/71/383684971.db2.gz LORHFDMDWBPIIT-UHFFFAOYSA-N 0 1 274.412 2.964 20 30 CFEDMN N#Cc1ccc(CNC(=O)c2cc(F)cc3nc[nH]c32)cc1 ZINC000048320289 373160670 /nfs/dbraw/zinc/16/06/70/373160670.db2.gz PMLVOMIATLACQG-UHFFFAOYSA-N 0 1 294.289 2.504 20 30 CFEDMN Cc1occc1CN(C)CCOc1ccc(C#N)cc1 ZINC000048755883 373218287 /nfs/dbraw/zinc/21/82/87/373218287.db2.gz JCQNUNCJWABYRJ-UHFFFAOYSA-N 0 1 270.332 2.971 20 30 CFEDMN CCCN(C)[C@@H](C)C(=O)Nc1sc2c(c1C#N)CCC2 ZINC000049480365 373304342 /nfs/dbraw/zinc/30/43/42/373304342.db2.gz HENDFPMPQWBOCN-JTQLQIEISA-N 0 1 291.420 2.777 20 30 CFEDMN N#Cc1c(CN2CCCC[C@@H]2CCO)cn2ccccc12 ZINC000050105034 373354530 /nfs/dbraw/zinc/35/45/30/373354530.db2.gz MHTHSBXRWYTDMZ-OAHLLOKOSA-N 0 1 283.375 2.548 20 30 CFEDMN OCCN(CC#Cc1ccccc1)Cc1ccccc1 ZINC000051814914 373412558 /nfs/dbraw/zinc/41/25/58/373412558.db2.gz RJYXEYDSMLWWLQ-UHFFFAOYSA-N 0 1 265.356 2.533 20 30 CFEDMN N#Cc1cccc(C(=O)Nc2nc3ccc(F)cc3[nH]2)c1 ZINC000488904598 245909065 /nfs/dbraw/zinc/90/90/65/245909065.db2.gz UXBWIRPEBSXEJL-UHFFFAOYSA-N 0 1 280.262 2.826 20 30 CFEDMN C=CCNC(=O)CN(Cc1ccc(C)s1)C(C)C ZINC000065162157 373845347 /nfs/dbraw/zinc/84/53/47/373845347.db2.gz YESGQMRLOSKKAG-UHFFFAOYSA-N 0 1 266.410 2.569 20 30 CFEDMN C[C@H]1CCCN(CC(=O)Nc2ccc(C#N)cc2)CC1 ZINC000070158193 374130578 /nfs/dbraw/zinc/13/05/78/374130578.db2.gz IOUBKYIKQAXPAP-ZDUSSCGKSA-N 0 1 271.364 2.619 20 30 CFEDMN COCC#CCSc1nc(-c2ccc(C)cc2)n[nH]1 ZINC000677805519 541908238 /nfs/dbraw/zinc/90/82/38/541908238.db2.gz NNJRTWWPJIEVSB-UHFFFAOYSA-N 0 1 273.361 2.522 20 30 CFEDMN CCc1nc2c(s1)[C@H](N(C)CC#CCOC)CCC2 ZINC000677818675 541910034 /nfs/dbraw/zinc/91/00/34/541910034.db2.gz FSPZUAOLONCPPQ-CYBMUJFWSA-N 0 1 278.421 2.665 20 30 CFEDMN C[C@H]1CCCN1CC(=O)Nc1ccc(C#N)c(Cl)c1 ZINC000072874569 374298177 /nfs/dbraw/zinc/29/81/77/374298177.db2.gz FBGYPCGSHMNAPK-JTQLQIEISA-N 0 1 277.755 2.634 20 30 CFEDMN CCOC[C@@H]1CCCN(Cc2ccc(C#N)cc2F)C1 ZINC000072975283 374308382 /nfs/dbraw/zinc/30/83/82/374308382.db2.gz HFFWXVXWKRHBLG-CQSZACIVSA-N 0 1 276.355 2.946 20 30 CFEDMN C=C(C)[C@H](CO)N1CC[C@H](Oc2ccccc2Cl)C1 ZINC000678049501 541942351 /nfs/dbraw/zinc/94/23/51/541942351.db2.gz KXEUWYOMDIAICY-JSGCOSHPSA-N 0 1 281.783 2.730 20 30 CFEDMN C=CCN(CC=C)C(=O)[C@H](C)N1CCS[C@@H](C(C)C)C1 ZINC000076064958 374526543 /nfs/dbraw/zinc/52/65/43/374526543.db2.gz FWYHXUFWYFXAJM-LSDHHAIUSA-N 0 1 296.480 2.649 20 30 CFEDMN C=CCCCN(C)CC(=O)Nc1nc(CC)c(C)s1 ZINC000076733753 374557230 /nfs/dbraw/zinc/55/72/30/374557230.db2.gz MMVKRKCVEBYPJU-UHFFFAOYSA-N 0 1 281.425 2.850 20 30 CFEDMN C=C(C)CN1CCCN(C(=O)c2ccc(F)cc2)CC1 ZINC000079061479 374588927 /nfs/dbraw/zinc/58/89/27/374588927.db2.gz ITVQECHEMAKCHB-UHFFFAOYSA-N 0 1 276.355 2.550 20 30 CFEDMN C[C@@H]1CN2CCCC[C@@H]2CN1C(=O)C1(C#N)CCCCC1 ZINC000083703883 374755215 /nfs/dbraw/zinc/75/52/15/374755215.db2.gz KFTHWHDSDRAINY-HUUCEWRRSA-N 0 1 289.423 2.546 20 30 CFEDMN C#Cc1cccc(NC(=O)CN(C)C[C@@H](C)CC)c1 ZINC000088496771 374848198 /nfs/dbraw/zinc/84/81/98/374848198.db2.gz JXZQRWUDFMSMQS-ZDUSSCGKSA-N 0 1 258.365 2.584 20 30 CFEDMN CCOCCN(C)CC#Cc1cccc(Cl)c1 ZINC000093314627 375206820 /nfs/dbraw/zinc/20/68/20/375206820.db2.gz VGUQKBUZLBPCFG-UHFFFAOYSA-N 0 1 251.757 2.660 20 30 CFEDMN C[C@H](NCc1cc(C(N)=O)cs1)c1ccc(C#N)cc1 ZINC000093686175 375295758 /nfs/dbraw/zinc/29/57/58/375295758.db2.gz HUZBBKMLPKFAOD-JTQLQIEISA-N 0 1 285.372 2.569 20 30 CFEDMN CCN(CCC#N)C(=O)c1cc(-c2cccs2)[nH]n1 ZINC000103209734 375721723 /nfs/dbraw/zinc/72/17/23/375721723.db2.gz VACJTLASCKHWFK-UHFFFAOYSA-N 0 1 274.349 2.514 20 30 CFEDMN C[C@H](CC#N)N(C)C(=O)c1cc(-c2cccs2)[nH]n1 ZINC000103441908 375745875 /nfs/dbraw/zinc/74/58/75/375745875.db2.gz HSBDXDIXCWDFEZ-SECBINFHSA-N 0 1 274.349 2.512 20 30 CFEDMN C=CCN(CC=C)C(=O)CN1CCc2ccccc2[C@@H]1C ZINC000106862339 375803833 /nfs/dbraw/zinc/80/38/33/375803833.db2.gz HUSKCVKBOCMTLH-HNNXBMFYSA-N 0 1 284.403 2.806 20 30 CFEDMN COCC#CCNC1(c2ccc(F)cc2F)CCCC1 ZINC000678795255 542071175 /nfs/dbraw/zinc/07/11/75/542071175.db2.gz SCTTVHLJXXGDCJ-UHFFFAOYSA-N 0 1 279.330 2.974 20 30 CFEDMN CC1(C)CCCN([C@H]2CCN(c3ccc(C#N)cc3)C2=O)C1 ZINC000112702249 375948402 /nfs/dbraw/zinc/94/84/02/375948402.db2.gz YHSUNIIUCLLPIN-INIZCTEOSA-N 0 1 297.402 2.786 20 30 CFEDMN CN(CCNC(=O)OC(C)(C)C)Cc1ccc(C#N)cc1 ZINC000114206894 376055036 /nfs/dbraw/zinc/05/50/36/376055036.db2.gz FCRMONSTPDSBRB-UHFFFAOYSA-N 0 1 289.379 2.515 20 30 CFEDMN N#Cc1ccc([C@@H](NCCCC2CCCC2)C(N)=O)cc1 ZINC000115596340 376143430 /nfs/dbraw/zinc/14/34/30/376143430.db2.gz BOCWRZSZOMABNL-MRXNPFEDSA-N 0 1 285.391 2.645 20 30 CFEDMN N#Cc1ccc([C@@H](NCCC2=CCCCC2)C(N)=O)cc1 ZINC000115595096 376143531 /nfs/dbraw/zinc/14/35/31/376143531.db2.gz WZGJCJRYDONTDK-MRXNPFEDSA-N 0 1 283.375 2.565 20 30 CFEDMN CN(CC[N@@H+](C)CCC(C)(C)C#N)c1ccccc1 ZINC000119642699 376446511 /nfs/dbraw/zinc/44/65/11/376446511.db2.gz RGIYZTFHFXYJGE-UHFFFAOYSA-N 0 1 259.397 2.994 20 30 CFEDMN COc1ccc(CN(C)CCC(C)(C)C#N)cc1O ZINC000119672758 376450387 /nfs/dbraw/zinc/45/03/87/376450387.db2.gz PMAXSSZKAUKIOV-UHFFFAOYSA-N 0 1 262.353 2.772 20 30 CFEDMN C=CCN(CC=C)C(=O)[C@H](C)N(C)Cc1ccccc1 ZINC000125757411 377189236 /nfs/dbraw/zinc/18/92/36/377189236.db2.gz KDWRGWUNFNJQGL-HNNXBMFYSA-N 0 1 272.392 2.708 20 30 CFEDMN CCC#C[C@H](C)N1CCC[C@H](c2ccnc(C)n2)C1 ZINC000679312658 542162193 /nfs/dbraw/zinc/16/21/93/542162193.db2.gz ZZIDZDWSBVOHOP-ZFWWWQNUSA-N 0 1 257.381 2.766 20 30 CFEDMN CCN(Cc1cc(C#N)ccc1OC)C[C@H]1CCCO1 ZINC000130422478 377555076 /nfs/dbraw/zinc/55/50/76/377555076.db2.gz QEAUWZVFDQFWLZ-OAHLLOKOSA-N 0 1 274.364 2.568 20 30 CFEDMN C=CCOCCNc1cc(C)nc2ccc(F)cc21 ZINC000679471809 542194302 /nfs/dbraw/zinc/19/43/02/542194302.db2.gz WKKDFSRVKODVKS-UHFFFAOYSA-N 0 1 260.312 2.719 20 30 CFEDMN Cn1cc(CNCc2ccc(C#N)cc2)c(C(F)(F)F)n1 ZINC000130708938 377598684 /nfs/dbraw/zinc/59/86/84/377598684.db2.gz PSEMFCQANFTHMX-UHFFFAOYSA-N 0 1 294.280 2.600 20 30 CFEDMN C=CCN(CC=C)C(=O)c1cc(-c2cccc(OC)c2)[nH]n1 ZINC000132881352 377885132 /nfs/dbraw/zinc/88/51/32/377885132.db2.gz OVBJIMXEOJIWFQ-UHFFFAOYSA-N 0 1 297.358 2.900 20 30 CFEDMN C=CCCN1CCN(C(=O)c2cccc(Cl)c2)CC1 ZINC000132453633 377842909 /nfs/dbraw/zinc/84/29/09/377842909.db2.gz WBJACBYQKYENKR-UHFFFAOYSA-N 0 1 278.783 2.674 20 30 CFEDMN C=CCC[C@@H](O)CN1C[C@H](C)OC[C@H]1c1ccccc1 ZINC000132585427 377855358 /nfs/dbraw/zinc/85/53/58/377855358.db2.gz ZLRJRRJPEAJYKN-UAGQMJEPSA-N 0 1 275.392 2.776 20 30 CFEDMN CC(C)CCN(CCC#N)C(=O)[C@H]1CCCc2[nH]ncc21 ZINC000134275902 377997706 /nfs/dbraw/zinc/99/77/06/377997706.db2.gz SYZWEFQYJKSNME-ZDUSSCGKSA-N 0 1 288.395 2.618 20 30 CFEDMN CS[C@H]1CCCCN(C[C@H](C#N)CCC#N)C1 ZINC000134613161 378038370 /nfs/dbraw/zinc/03/83/70/378038370.db2.gz UVIKWSGIGGUHHP-STQMWFEESA-N 0 1 251.399 2.647 20 30 CFEDMN CCOCc1ccccc1CNCc1ccc(C#N)o1 ZINC000135139747 378089607 /nfs/dbraw/zinc/08/96/07/378089607.db2.gz GDCOKVKOTFBLSK-UHFFFAOYSA-N 0 1 270.332 2.978 20 30 CFEDMN C=CCCCCCNC(=O)[C@H]1CC[N@H+]1C1CCCC1 ZINC000636140520 383725798 /nfs/dbraw/zinc/72/57/98/383725798.db2.gz WZFBULBURJBCBX-OAHLLOKOSA-N 0 1 264.413 2.866 20 30 CFEDMN C=CCN[C@H](c1nnc[nH]1)c1cccc(C(F)(F)F)c1 ZINC000136676519 378205777 /nfs/dbraw/zinc/20/57/77/378205777.db2.gz RDJKSVSBPKZPLG-NSHDSACASA-N 0 1 282.269 2.689 20 30 CFEDMN C#CCN1CCC(C(=O)N2c3ccccc3CC[C@H]2C)CC1 ZINC000151303489 378315322 /nfs/dbraw/zinc/31/53/22/378315322.db2.gz QZGQOSUQAABPOO-OAHLLOKOSA-N 0 1 296.414 2.700 20 30 CFEDMN Cc1nc(NC(=O)[C@H]2CCCCN2C2CCCC2)nn1C ZINC000329302466 378451539 /nfs/dbraw/zinc/45/15/39/378451539.db2.gz WKHCBKLMXOUJGG-CYBMUJFWSA-N 0 1 291.399 2.509 20 30 CFEDMN C[C@H](Cn1cncn1)NC([O-])=[NH+]CC1(C)CCCCCC1 ZINC000329294050 378451973 /nfs/dbraw/zinc/45/19/73/378451973.db2.gz RVOMXYCXURZALE-CYBMUJFWSA-N 0 1 293.415 2.531 20 30 CFEDMN C[C@H]1c2ccccc2CCN1C(=O)NCCc1cnccn1 ZINC000329311682 378453675 /nfs/dbraw/zinc/45/36/75/378453675.db2.gz PTCVJBLUILGTRS-ZDUSSCGKSA-N 0 1 296.374 2.552 20 30 CFEDMN C[C@H](NC(=O)Cc1[nH]nc2ccccc21)[C@@H]1CCCOC1 ZINC000329397308 378459819 /nfs/dbraw/zinc/45/98/19/378459819.db2.gz WLKWHHUMNJHCJD-NWDGAFQWSA-N 0 1 287.363 2.877 20 30 CFEDMN O=C(N[C@@H]1CCCc2cn[nH]c21)[C@@H]1CCCSC1 ZINC000329594357 378466095 /nfs/dbraw/zinc/46/60/95/378466095.db2.gz UZAXPUIXJMYIOB-GHMZBOCLSA-N 0 1 265.382 2.887 20 30 CFEDMN Cc1nc2cccc(C(=O)NC[C@H]3CCCC3=O)c2[nH]1 ZINC000328725944 378418389 /nfs/dbraw/zinc/41/83/89/378418389.db2.gz ZJJBFCFMMVLMKQ-SNVBAGLBSA-N 0 1 271.320 2.545 20 30 CFEDMN CC1=CC[N@@H+](CCNC(=O)c2cc(C(C)C)on2)CC1 ZINC000328780816 378424532 /nfs/dbraw/zinc/42/45/32/378424532.db2.gz MPMWZKGAUINZCE-UHFFFAOYSA-N 0 1 277.368 2.755 20 30 CFEDMN CC1=CCN(CCNC(=O)c2cc(C(C)C)on2)CC1 ZINC000328780816 378424535 /nfs/dbraw/zinc/42/45/35/378424535.db2.gz MPMWZKGAUINZCE-UHFFFAOYSA-N 0 1 277.368 2.755 20 30 CFEDMN C[C@@H]1CCC[C@H](NC(=O)[C@@H]2CCc3[nH]nnc3C2)[C@H]1C ZINC000328785761 378424552 /nfs/dbraw/zinc/42/45/52/378424552.db2.gz OJJYCPAFCPFQSS-KXNHARMFSA-N 0 1 276.384 2.691 20 30 CFEDMN C[C@@H]1CCC[C@H](NC(=O)[C@@H]2CCc3nn[nH]c3C2)[C@H]1C ZINC000328785761 378424558 /nfs/dbraw/zinc/42/45/58/378424558.db2.gz OJJYCPAFCPFQSS-KXNHARMFSA-N 0 1 276.384 2.691 20 30 CFEDMN Cc1cc(C[C@H](C)NC(=O)C[C@H]2CCCCNC2=O)n[nH]1 ZINC000328793951 378426108 /nfs/dbraw/zinc/42/61/08/378426108.db2.gz SENBLJKQHXLSGT-CMPLNLGQSA-N 0 1 292.383 2.752 20 30 CFEDMN CCc1nc([C@H](C)NC(=O)N[C@@H]2CCCC[C@H]2C)n[nH]1 ZINC000328912852 378439930 /nfs/dbraw/zinc/43/99/30/378439930.db2.gz HPNUXFOOAGHFBQ-OUAUKWLOSA-N 0 1 279.388 2.510 20 30 CFEDMN Cc1nc(CCNC(=O)CN2CCC(C)CC2)c(C)o1 ZINC000328924225 378440701 /nfs/dbraw/zinc/44/07/01/378440701.db2.gz NNXNOCQFLPBSFI-UHFFFAOYSA-N 0 1 279.384 2.522 20 30 CFEDMN C[C@H]1C[C@@H](C(=O)Nc2ccc3[nH]nnc3c2)CCC1=O ZINC000328928777 378440871 /nfs/dbraw/zinc/44/08/71/378440871.db2.gz GTFHCVRZRKHJJE-IUCAKERBSA-N 0 1 272.308 2.551 20 30 CFEDMN C[C@@H]1CCC[C@H](N(C)C(=O)N[C@H]2CCc3nc[nH]c3C2)C1 ZINC000329736581 378489290 /nfs/dbraw/zinc/48/92/90/378489290.db2.gz LMXFLZINSJWNLU-AGIUHOORSA-N 0 1 290.411 2.692 20 30 CFEDMN Cc1cnn(CCNC([O-])=[NH+][C@@H]2CC[C@@H]3CCC[C@@H]3C2)c1 ZINC000329786426 378496777 /nfs/dbraw/zinc/49/67/77/378496777.db2.gz XXJCWBGATGHXKA-RRFJBIMHSA-N 0 1 290.411 2.664 20 30 CFEDMN Cc1cnn(CC[NH+]=C([O-])N[C@@H]2CC[C@@H]3CCC[C@@H]3C2)c1 ZINC000329786426 378496781 /nfs/dbraw/zinc/49/67/81/378496781.db2.gz XXJCWBGATGHXKA-RRFJBIMHSA-N 0 1 290.411 2.664 20 30 CFEDMN Cc1[nH]ncc1CNC(=O)N[C@@H]1CC[C@@H]2CCC[C@H]2C1 ZINC000329808404 378499828 /nfs/dbraw/zinc/49/98/28/378499828.db2.gz AQESTSJFVNFPPE-SGMGOOAPSA-N 0 1 276.384 2.691 20 30 CFEDMN NC(=O)C1CCC(NC(=O)[C@@H]2CCCc3[nH]ncc32)CC1 ZINC000329832103 378502814 /nfs/dbraw/zinc/50/28/14/378502814.db2.gz KUDSQTQNBUSLHP-VQXHTEKXSA-N 0 1 290.367 2.880 20 30 CFEDMN C[C@@H]1CCCC[N@H+]1CCNC(=O)[C@@H]1CCCCC(=O)N1 ZINC000329831939 378502928 /nfs/dbraw/zinc/50/29/28/378502928.db2.gz FTTPWRYVFYRCAU-OLZOCXBDSA-N 0 1 281.400 2.716 20 30 CFEDMN Cc1[nH]ncc1CNC(=O)N1CC=C(C(C)(C)C)CC1 ZINC000329851534 378505226 /nfs/dbraw/zinc/50/52/26/378505226.db2.gz TVOXLUCUWMSHES-UHFFFAOYSA-N 0 1 276.384 2.810 20 30 CFEDMN CCC1(C)CCN(C([O-])=[NH+][C@@H]2CCc3c[nH]nc3C2)CC1 ZINC000329871487 378506557 /nfs/dbraw/zinc/50/65/57/378506557.db2.gz CMXLBVSFDYSYOY-CYBMUJFWSA-N 0 1 290.411 2.693 20 30 CFEDMN C[C@@H](Sc1nc(C2CC2)n[nH]1)C(=O)NC1(C#N)CCC1 ZINC000329889189 378509195 /nfs/dbraw/zinc/50/91/95/378509195.db2.gz ZVZOBIOTQBNTNZ-MRVPVSSYSA-N 0 1 291.380 2.565 20 30 CFEDMN C[C@@H](Sc1n[nH]c(C2CC2)n1)C(=O)NC1(C#N)CCC1 ZINC000329889189 378509200 /nfs/dbraw/zinc/50/92/00/378509200.db2.gz ZVZOBIOTQBNTNZ-MRVPVSSYSA-N 0 1 291.380 2.565 20 30 CFEDMN C=C(C)C[C@@H](C)C(=O)N1CCCC[C@@H]1c1n[nH]c(C)n1 ZINC000330407230 378548054 /nfs/dbraw/zinc/54/80/54/378548054.db2.gz ZHVIXYHQOKRRRL-DGCLKSJQSA-N 0 1 276.384 2.769 20 30 CFEDMN COCC#CCN1[C@H](C)Cc2cc(OC)ccc2[C@@H]1C ZINC000679834904 542239629 /nfs/dbraw/zinc/23/96/29/542239629.db2.gz WHPQYMFSJMBODG-KGLIPLIRSA-N 0 1 273.376 2.653 20 30 CFEDMN C=CC[N@H+](CCC#CC)Cc1cccc([N+](=O)[O-])c1 ZINC000155268473 378618685 /nfs/dbraw/zinc/61/86/85/378618685.db2.gz GDQKFSZTXVBEQI-UHFFFAOYSA-N 0 1 258.321 2.996 20 30 CFEDMN C=CCN(CCC#CC)Cc1cccc([N+](=O)[O-])c1 ZINC000155268473 378618688 /nfs/dbraw/zinc/61/86/88/378618688.db2.gz GDQKFSZTXVBEQI-UHFFFAOYSA-N 0 1 258.321 2.996 20 30 CFEDMN Cc1oc(C#N)cc1-c1nc(C2(N)CCCCC2)no1 ZINC000331506500 378698783 /nfs/dbraw/zinc/69/87/83/378698783.db2.gz CCPPXNOCKDLCAI-UHFFFAOYSA-N 0 1 272.308 2.628 20 30 CFEDMN Cc1oc(NC(=O)CN(C)[C@H](C)C2(C)CC2)c(C#N)c1C ZINC000156730541 378645031 /nfs/dbraw/zinc/64/50/31/378645031.db2.gz XAGRHWJQFWYXIR-GFCCVEGCSA-N 0 1 289.379 2.827 20 30 CFEDMN C[C@H](O)[C@@H]1CCCCN1Cc1cn2ccccc2c1C#N ZINC000264370438 383731403 /nfs/dbraw/zinc/73/14/03/383731403.db2.gz AVKFOLWSKDCCQT-BBRMVZONSA-N 0 1 283.375 2.546 20 30 CFEDMN CCN(CCC#N)C(=O)c1c[nH]c2c(C)cccc2c1=O ZINC000164553118 379018517 /nfs/dbraw/zinc/01/85/17/379018517.db2.gz NOJTXEPASNOORI-UHFFFAOYSA-N 0 1 283.331 2.625 20 30 CFEDMN COc1cccc2c1CCN([C@@H]1CC[C@@H](C#N)C1)C2 ZINC000334372645 379180390 /nfs/dbraw/zinc/18/03/90/379180390.db2.gz RUPICXPFVSBEER-TZMCWYRMSA-N 0 1 256.349 2.746 20 30 CFEDMN C#CC[C@@H](N[C@@H](C)c1ccnn1C)c1ccccc1 ZINC000278820717 194169181 /nfs/dbraw/zinc/16/91/81/194169181.db2.gz SKBVYPHSLWWVRG-DZGCQCFKSA-N 0 1 253.349 2.835 20 30 CFEDMN Cc1c(C#N)cccc1NS(=O)(=O)c1ccsc1 ZINC000334435996 379296873 /nfs/dbraw/zinc/29/68/73/379296873.db2.gz GHFGOTDQCFTLSA-UHFFFAOYSA-N 0 1 278.358 2.729 20 30 CFEDMN C#CCOc1ccc(CN[C@H](C)c2cn(C)nc2C)cc1 ZINC000172118946 379496076 /nfs/dbraw/zinc/49/60/76/379496076.db2.gz HXIUDZFLMQXKQF-CYBMUJFWSA-N 0 1 283.375 2.591 20 30 CFEDMN C=CCCCN(C)CC(=O)Nc1cccc(F)c1 ZINC000172173622 379509869 /nfs/dbraw/zinc/50/98/69/379509869.db2.gz BGFRISSVTHFLTR-UHFFFAOYSA-N 0 1 250.317 2.662 20 30 CFEDMN Cc1cc(C[N@H+]2CCC[C@H](n3cccn3)C2)ccc1C#N ZINC000335699418 379744442 /nfs/dbraw/zinc/74/44/42/379744442.db2.gz YNAMVFOVVAFPCQ-KRWDZBQOSA-N 0 1 280.375 2.900 20 30 CFEDMN Cn1cc2c(n1)CCC[C@@H]2NCc1ccc(C#N)c(F)c1 ZINC000334675472 379748855 /nfs/dbraw/zinc/74/88/55/379748855.db2.gz NKHGJIQEOKOMNI-HNNXBMFYSA-N 0 1 284.338 2.598 20 30 CFEDMN CO[C@H]1CCN(Cc2cc(C#N)ccc2F)C[C@@H]1C ZINC000334687625 379767980 /nfs/dbraw/zinc/76/79/80/379767980.db2.gz BZLYOEGRZOGEFI-NHYWBVRUSA-N 0 1 262.328 2.554 20 30 CFEDMN Cc1cc(C#N)ccc1C(=O)N1C[C@H]2CCCCN2C[C@H]1C ZINC000335716333 379775091 /nfs/dbraw/zinc/77/50/91/379775091.db2.gz PNUWWYVDKKCINL-GDBMZVCRSA-N 0 1 297.402 2.566 20 30 CFEDMN N#Cc1ccc(C[N@@H+]2CCC[C@H](O)CC2)c(Cl)c1 ZINC000335721949 379783752 /nfs/dbraw/zinc/78/37/52/379783752.db2.gz PJUBWLYCEWCHOY-ZDUSSCGKSA-N 0 1 264.756 2.558 20 30 CFEDMN N#Cc1ccc(CN2CCC[C@H](O)CC2)c(Cl)c1 ZINC000335721949 379783757 /nfs/dbraw/zinc/78/37/57/379783757.db2.gz PJUBWLYCEWCHOY-ZDUSSCGKSA-N 0 1 264.756 2.558 20 30 CFEDMN CO[C@H]1CCN(Cc2ccc(C#N)cc2F)C[C@@H]1C ZINC000334740339 379858232 /nfs/dbraw/zinc/85/82/32/379858232.db2.gz VTZJQPHWRLXVAX-NHYWBVRUSA-N 0 1 262.328 2.554 20 30 CFEDMN Cc1ccc(NS(=O)(=O)c2ccc(C#N)o2)c(Cl)c1 ZINC000335813556 379931657 /nfs/dbraw/zinc/93/16/57/379931657.db2.gz ACEVKQFGKPXERU-UHFFFAOYSA-N 0 1 296.735 2.914 20 30 CFEDMN Cn1cc(CN2CC[C@H]2c2ccccc2)cc1C#N ZINC000335815771 379935907 /nfs/dbraw/zinc/93/59/07/379935907.db2.gz DQZAVTSAYHWGTJ-INIZCTEOSA-N 0 1 251.333 2.844 20 30 CFEDMN Cc1ccc2ncc(CN3CCC(CC#N)CC3)n2c1 ZINC000335860563 380009778 /nfs/dbraw/zinc/00/97/78/380009778.db2.gz CQASLDMDSKRAAZ-UHFFFAOYSA-N 0 1 268.364 2.768 20 30 CFEDMN Cc1n[nH]c(C(F)F)c1NC(=O)c1sccc1C#N ZINC000335949372 380146906 /nfs/dbraw/zinc/14/69/06/380146906.db2.gz WOEAPGSOOCMNNL-UHFFFAOYSA-N 0 1 282.275 2.841 20 30 CFEDMN CCCNc1ccc(C#N)cc1NC(=O)CN(C)C(C)C ZINC000175792112 380131568 /nfs/dbraw/zinc/13/15/68/380131568.db2.gz ASYYKHXVRFCEIG-UHFFFAOYSA-N 0 1 288.395 2.659 20 30 CFEDMN C=CCCCC(=O)NCc1nc2ccc(C)cc2[nH]1 ZINC000176276187 380206935 /nfs/dbraw/zinc/20/69/35/380206935.db2.gz VYMDRUCEOVHMGZ-UHFFFAOYSA-N 0 1 257.337 2.844 20 30 CFEDMN Cc1ncc(C(=O)N2CCC[C@H]2[C@H](C#N)c2ccccc2)[nH]1 ZINC000336131150 380271943 /nfs/dbraw/zinc/27/19/43/380271943.db2.gz GSEXHXUDBHEKEJ-ZBFHGGJFSA-N 0 1 294.358 2.630 20 30 CFEDMN N#Cc1ccc(CNCc2ccc(CO)c(F)c2)s1 ZINC000176954355 380286840 /nfs/dbraw/zinc/28/68/40/380286840.db2.gz QNYRNJAKQYESDT-UHFFFAOYSA-N 0 1 276.336 2.541 20 30 CFEDMN N#Cc1ccc(CN[C@H]2CCN(c3ccccc3)C2=O)s1 ZINC000176967196 380289046 /nfs/dbraw/zinc/28/90/46/380289046.db2.gz VXDPFCALTKHADQ-HNNXBMFYSA-N 0 1 297.383 2.515 20 30 CFEDMN N#Cc1ccc(CN[C@@H]2CCN(c3ccccc3)C2=O)s1 ZINC000176967214 380289188 /nfs/dbraw/zinc/28/91/88/380289188.db2.gz VXDPFCALTKHADQ-OAHLLOKOSA-N 0 1 297.383 2.515 20 30 CFEDMN C=C1CCN(C[C@H](O)COc2ccc(Cl)cc2)CC1 ZINC000264485895 383745815 /nfs/dbraw/zinc/74/58/15/383745815.db2.gz RJOMWHXDLCGINT-AWEZNQCLSA-N 0 1 281.783 2.732 20 30 CFEDMN N#Cc1cccc([C@H]2CN(C3CCCC3)CCO2)c1 ZINC000336518317 380399168 /nfs/dbraw/zinc/39/91/68/380399168.db2.gz NKEOQVJFNWCJLH-MRXNPFEDSA-N 0 1 256.349 2.874 20 30 CFEDMN C#CC[C@@H](N[C@H]1CCCN(C(C)C)C1=O)c1ccccc1 ZINC000279086550 194278608 /nfs/dbraw/zinc/27/86/08/194278608.db2.gz MRPXCYCMQQTLNY-SJORKVTESA-N 0 1 284.403 2.740 20 30 CFEDMN N#Cc1ccc(F)cc1CN1CCC[C@H]([C@@H]2CCOC2)C1 ZINC000336530492 380422154 /nfs/dbraw/zinc/42/21/54/380422154.db2.gz SNHNNYRCCNEYBZ-LSDHHAIUSA-N 0 1 288.366 2.946 20 30 CFEDMN Cc1cnn([C@H]2CCN(Cc3ccc(C#N)c(F)c3)C2)c1 ZINC000336601792 380530672 /nfs/dbraw/zinc/53/06/72/380530672.db2.gz OYMNYQRKFUBGPV-HNNXBMFYSA-N 0 1 284.338 2.649 20 30 CFEDMN CCCCN1Cc2cccc(N[C@H](C#N)COC)c2C1 ZINC000181332187 380777684 /nfs/dbraw/zinc/77/76/84/380777684.db2.gz JPCCVTORTLPNSA-CQSZACIVSA-N 0 1 273.380 2.753 20 30 CFEDMN C[C@@H](NCC(=O)Nc1cccc(C#N)c1)c1cccc(O)c1 ZINC000181492360 380807339 /nfs/dbraw/zinc/80/73/39/380807339.db2.gz QVRMSMNEKGIFQS-GFCCVEGCSA-N 0 1 295.342 2.553 20 30 CFEDMN C=CCC[C@@H](C(=O)NCc1n[nH]c(CC)n1)c1ccccc1 ZINC000295395203 380827944 /nfs/dbraw/zinc/82/79/44/380827944.db2.gz QXFANBDRXQWURV-CQSZACIVSA-N 0 1 298.390 2.733 20 30 CFEDMN C=CCN(CC=C)C(=O)[C@@H](C)N[C@H](C)c1cccc(O)c1 ZINC000181564950 380829317 /nfs/dbraw/zinc/82/93/17/380829317.db2.gz HBBOLGPTBRPYRV-ZIAGYGMSSA-N 0 1 288.391 2.632 20 30 CFEDMN CCN(C[C@@H](O)C(F)(F)F)[C@@H](C)c1ccc(C#N)cc1 ZINC000181655031 380857194 /nfs/dbraw/zinc/85/71/94/380857194.db2.gz WQIFUKZWMCEENQ-GXFFZTMASA-N 0 1 286.297 2.864 20 30 CFEDMN C=C(CC)CN1CCCN(C(=O)c2ccsc2)CC1 ZINC000358493130 380881917 /nfs/dbraw/zinc/88/19/17/380881917.db2.gz QJSLCIZHAOXNLE-UHFFFAOYSA-N 0 1 278.421 2.862 20 30 CFEDMN CC(C)c1csc([C@H](C#N)C(=O)c2c[nH]c(C#N)c2)n1 ZINC000181773404 380891309 /nfs/dbraw/zinc/89/13/09/380891309.db2.gz MVOVIEGNCMMVOS-LLVKDONJSA-N 0 1 284.344 2.956 20 30 CFEDMN CC(C)c1csc(C(C#N)C(=O)c2c[nH]c(C#N)c2)n1 ZINC000181773404 380891311 /nfs/dbraw/zinc/89/13/11/380891311.db2.gz MVOVIEGNCMMVOS-LLVKDONJSA-N 0 1 284.344 2.956 20 30 CFEDMN Cc1nsc(NC[C@H]2CCCCN2C2CC2)c1C#N ZINC000287755659 380930672 /nfs/dbraw/zinc/93/06/72/380930672.db2.gz MXLHGDZYRQPYEQ-GFCCVEGCSA-N 0 1 276.409 2.752 20 30 CFEDMN C=C(CC)CN1CCN(c2ccccc2OC)CC1 ZINC000358622074 380975086 /nfs/dbraw/zinc/97/50/86/380975086.db2.gz AVXZEVUVOZBNSA-UHFFFAOYSA-N 0 1 260.381 2.783 20 30 CFEDMN COC(=O)[C@@H]1CCN(Cc2ccc(C#N)cc2Cl)[C@@H]1C ZINC000347229675 381015565 /nfs/dbraw/zinc/01/55/65/381015565.db2.gz XNQKVSFFZJTUFW-ZWNOBZJWSA-N 0 1 292.766 2.595 20 30 CFEDMN COC(=O)[C@H]1CCN(Cc2ccc(C#N)cc2Cl)[C@@H]1C ZINC000347229668 381015713 /nfs/dbraw/zinc/01/57/13/381015713.db2.gz XNQKVSFFZJTUFW-MFKMUULPSA-N 0 1 292.766 2.595 20 30 CFEDMN N#CC1(CCN2CCOC[C@H]2C2CC2)CCCCC1 ZINC000411416404 381027088 /nfs/dbraw/zinc/02/70/88/381027088.db2.gz DYOJTPWTEZIZML-HNNXBMFYSA-N 0 1 262.397 2.961 20 30 CFEDMN C=C[C@@H](CO)N[C@@H](C)c1sc(C(C)C)nc1C ZINC000289627778 381075027 /nfs/dbraw/zinc/07/50/27/381075027.db2.gz FAHNCYUYZVMCAF-ONGXEEELSA-N 0 1 254.399 2.772 20 30 CFEDMN N#CC1(CCN2CCO[C@@H](C3CC3)C2)CCCCC1 ZINC000411561577 381032324 /nfs/dbraw/zinc/03/23/24/381032324.db2.gz MLJJKWUQXCNGFQ-OAHLLOKOSA-N 0 1 262.397 2.961 20 30 CFEDMN C=CCN(CC=C)C(=O)[C@@H](C)N1CCC(F)(F)[C@@H](C)C1 ZINC000289788379 381157263 /nfs/dbraw/zinc/15/72/63/381157263.db2.gz MDLMDKWOVHOGPP-QWHCGFSZSA-N 0 1 286.366 2.553 20 30 CFEDMN C[S@@](=O)C[C@@H](NCc1cccc(C#N)c1)c1ccccc1 ZINC000183074916 381210009 /nfs/dbraw/zinc/21/00/09/381210009.db2.gz QCVZFYUKNQLXSG-DYESRHJHSA-N 0 1 298.411 2.768 20 30 CFEDMN COc1cc([C@H](C)NCc2ccc(C#N)c(F)c2)ccn1 ZINC000347543302 381212540 /nfs/dbraw/zinc/21/25/40/381212540.db2.gz QFHZSASXGUBMEF-NSHDSACASA-N 0 1 285.322 2.952 20 30 CFEDMN N#Cc1ccccc1CN1CCCO[C@@H]2CCC[C@H]21 ZINC000369455925 381263335 /nfs/dbraw/zinc/26/33/35/381263335.db2.gz DVHJRIJAHADENB-HZPDHXFCSA-N 0 1 256.349 2.702 20 30 CFEDMN CCC[C@@]1(CO)CCN(Cc2ccc(C#N)s2)C1 ZINC000290098331 381297850 /nfs/dbraw/zinc/29/78/50/381297850.db2.gz HMOANYIHFMZXOU-CQSZACIVSA-N 0 1 264.394 2.604 20 30 CFEDMN Cc1cccc(NC(=O)C[C@H](C)NC[C@H](C)C#N)c1C ZINC000183840555 381327898 /nfs/dbraw/zinc/32/78/98/381327898.db2.gz YPBJLHYCZVKSAF-YPMHNXCESA-N 0 1 273.380 2.770 20 30 CFEDMN C#Cc1cccc(NC(=O)N2CCN([C@H](C)CC)CC2)c1 ZINC000296351251 381357861 /nfs/dbraw/zinc/35/78/61/381357861.db2.gz NDBAIABASYIQFZ-CQSZACIVSA-N 0 1 285.391 2.616 20 30 CFEDMN C#C[C@H](NCc1cc(OC)ccc1OCOC)C(C)(C)C ZINC000290280891 381367932 /nfs/dbraw/zinc/36/79/32/381367932.db2.gz ZBJRLGQIELAPKB-INIZCTEOSA-N 0 1 291.391 2.815 20 30 CFEDMN CC#CCCCC(=O)NCCc1nc2ccc(F)cc2[nH]1 ZINC000184323921 381401250 /nfs/dbraw/zinc/40/12/50/381401250.db2.gz QRFTXAGQNFZHLN-UHFFFAOYSA-N 0 1 287.338 2.554 20 30 CFEDMN CN(CC[C@H]1CCCO1)Cc1ccc(F)cc1C#N ZINC000342609798 381431997 /nfs/dbraw/zinc/43/19/97/381431997.db2.gz VWRVQPLZGWRLFZ-OAHLLOKOSA-N 0 1 262.328 2.698 20 30 CFEDMN C=CCOCCCN1CCCC[C@@H]1C(=O)OC(C)(C)C ZINC000348057858 381458906 /nfs/dbraw/zinc/45/89/06/381458906.db2.gz UGPGPHCOPGWUEY-CQSZACIVSA-N 0 1 283.412 2.775 20 30 CFEDMN C=CCCN(C)[C@@H](C)C(=O)Nc1ccc(-c2c[nH]cn2)cc1 ZINC000348189443 381470732 /nfs/dbraw/zinc/47/07/32/381470732.db2.gz SPDSMOACZNCMMY-ZDUSSCGKSA-N 0 1 298.390 2.912 20 30 CFEDMN N#Cc1ccc(SCc2n[nH]c(C3CC3)n2)c(F)c1 ZINC000342704508 381490228 /nfs/dbraw/zinc/49/02/28/381490228.db2.gz RXUZXSVMEQOSSF-UHFFFAOYSA-N 0 1 274.324 2.985 20 30 CFEDMN COC[C@@]1(C)CCN(Cc2cn3ccccc3c2C#N)C1 ZINC000296662880 381497790 /nfs/dbraw/zinc/49/77/90/381497790.db2.gz KDQLZKFHXAORED-KRWDZBQOSA-N 0 1 283.375 2.669 20 30 CFEDMN CN(C)Cc1ccc(CNc2cccc(C#N)n2)cc1F ZINC000342771461 381529287 /nfs/dbraw/zinc/52/92/87/381529287.db2.gz PUQGUDJZXGLBIP-UHFFFAOYSA-N 0 1 284.338 2.766 20 30 CFEDMN CCc1nc([C@@H](C)Nc2cccc(F)c2C#N)n[nH]1 ZINC000342774014 381531220 /nfs/dbraw/zinc/53/12/20/381531220.db2.gz HBAOJOSCNZKPHF-MRVPVSSYSA-N 0 1 259.288 2.551 20 30 CFEDMN C#CCN(Cc1ccccc1N1CCO[C@H](C)C1)C1CC1 ZINC000297833671 381573127 /nfs/dbraw/zinc/57/31/27/381573127.db2.gz ZYNMKOXDVCXXRM-OAHLLOKOSA-N 0 1 284.403 2.509 20 30 CFEDMN CC(C)(CC#N)CN[C@@H](c1nnc[nH]1)c1ccc(F)cc1 ZINC000414174537 381567120 /nfs/dbraw/zinc/56/71/20/381567120.db2.gz YEYBWVJLZYNADU-CYBMUJFWSA-N 0 1 287.342 2.563 20 30 CFEDMN CC(C)(CC#N)CN[C@H](c1c[nH]nn1)c1ccc(F)cc1 ZINC000414175000 381569422 /nfs/dbraw/zinc/56/94/22/381569422.db2.gz YRBFJIOOSAMIIL-AWEZNQCLSA-N 0 1 287.342 2.563 20 30 CFEDMN C=CCOc1cccc(CN2CCCO[C@@H](CF)C2)c1 ZINC000414476176 381585985 /nfs/dbraw/zinc/58/59/85/381585985.db2.gz JALXOUUOPVHPHL-INIZCTEOSA-N 0 1 279.355 2.812 20 30 CFEDMN N#Cc1cc(CN2CCC(c3ccncn3)CC2)ccc1F ZINC000298347964 381587456 /nfs/dbraw/zinc/58/74/56/381587456.db2.gz MJTCNFZHNLFJIZ-UHFFFAOYSA-N 0 1 296.349 2.867 20 30 CFEDMN CCC(CC)CN1C[C@@H](C#N)[C@@]2(C1)c1ccccc1NC2=O ZINC000371468844 381634800 /nfs/dbraw/zinc/63/48/00/381634800.db2.gz BUCWZBRECVDKQC-KDOFPFPSSA-N 0 1 297.402 2.768 20 30 CFEDMN C=CCC[C@H](O)CN1CCN([C@@H](C)c2ccsc2)CC1 ZINC000185451113 381637112 /nfs/dbraw/zinc/63/71/12/381637112.db2.gz GFIPMTMILWLEAE-HOCLYGCPSA-N 0 1 294.464 2.754 20 30 CFEDMN CC(C)(C)CN(CCC#N)C(=O)c1cccc2c[nH]nc21 ZINC000355159372 381649665 /nfs/dbraw/zinc/64/96/65/381649665.db2.gz DBMLRSBNUVRQHE-UHFFFAOYSA-N 0 1 284.363 2.965 20 30 CFEDMN CCCCCCCCCNC(=O)[C@@H]1C[C@H]1c1nc[nH]n1 ZINC000371570722 381660311 /nfs/dbraw/zinc/66/03/11/381660311.db2.gz DSFRDWZENNMUCB-CHWSQXEVSA-N 0 1 278.400 2.775 20 30 CFEDMN CC#CCCCC(=O)Nc1ccc(-c2nnc[nH]2)cc1F ZINC000298551979 381670372 /nfs/dbraw/zinc/67/03/72/381670372.db2.gz DXZGFSUNVQMBJW-UHFFFAOYSA-N 0 1 286.310 2.743 20 30 CFEDMN Cn1cc(CNCc2cccc(C#N)c2)c(C(F)F)n1 ZINC000291124634 381675179 /nfs/dbraw/zinc/67/51/79/381675179.db2.gz DILJKPXIXXNGOU-UHFFFAOYSA-N 0 1 276.290 2.519 20 30 CFEDMN N#Cc1ccc(CN[C@H]2CCO[C@H]2c2cccnc2)c(F)c1 ZINC000343392468 381682831 /nfs/dbraw/zinc/68/28/31/381682831.db2.gz OWAYSUZXTOJFQS-IRXDYDNUSA-N 0 1 297.333 2.712 20 30 CFEDMN CCCNc1ccc(C#N)cc1NC(=O)[C@H](CC)N(C)C ZINC000298648860 381698621 /nfs/dbraw/zinc/69/86/21/381698621.db2.gz SCZUNOLKIAJEEU-HNNXBMFYSA-N 0 1 288.395 2.659 20 30 CFEDMN C=CC[C@@H](CO)N[C@H](C)c1nc(C(F)(F)F)cs1 ZINC000343470722 381734466 /nfs/dbraw/zinc/73/44/66/381734466.db2.gz XRBUFDNRUAEEDB-SFYZADRCSA-N 0 1 280.315 2.750 20 30 CFEDMN C=C(C)[C@H](NCCC(=O)OC)c1ccc(F)c(F)c1 ZINC000298712636 381721399 /nfs/dbraw/zinc/72/13/99/381721399.db2.gz AMDKMPCNYCACGO-AWEZNQCLSA-N 0 1 269.291 2.735 20 30 CFEDMN C=CCC[C@H](C(=O)NOCC(C)(C)O)c1ccccc1 ZINC000299120341 381830995 /nfs/dbraw/zinc/83/09/95/381830995.db2.gz WVDMCPARXZDUKJ-AWEZNQCLSA-N 0 1 277.364 2.555 20 30 CFEDMN C=C(C)C[C@H](C)C(=O)Nc1nc(-c2ccco2)n[nH]1 ZINC000186161367 381840605 /nfs/dbraw/zinc/84/06/05/381840605.db2.gz VHDJALXKHQAJIA-VIFPVBQESA-N 0 1 260.297 2.606 20 30 CFEDMN C[C@@H](NCC1(C#N)CC1)c1cccc(-n2cccn2)c1 ZINC000343564816 381801164 /nfs/dbraw/zinc/80/11/64/381801164.db2.gz PJWVEKYQHUIWEY-CYBMUJFWSA-N 0 1 266.348 2.827 20 30 CFEDMN N#Cc1ccc(CN2CCCC[C@@H]2Cn2cccn2)c(F)c1 ZINC000372609239 381843621 /nfs/dbraw/zinc/84/36/21/381843621.db2.gz SOLOMWLTQJRIKE-MRXNPFEDSA-N 0 1 298.365 2.949 20 30 CFEDMN CCN(CC#Cc1ccc(Cl)cc1)[C@@H]1CCOC1 ZINC000361586528 381847777 /nfs/dbraw/zinc/84/77/77/381847777.db2.gz ANSUPQKETWJXLB-OAHLLOKOSA-N 0 1 263.768 2.802 20 30 CFEDMN C=CCN(CCOC)Cc1cc(OC)c(OC)cc1C ZINC000361647638 381853038 /nfs/dbraw/zinc/85/30/38/381853038.db2.gz ZHUYLMGXUKVOIH-UHFFFAOYSA-N 0 1 279.380 2.647 20 30 CFEDMN C=CCN(CC=C)C(=O)[C@H](C)N1CCC(C(F)F)CC1 ZINC000361689525 381858087 /nfs/dbraw/zinc/85/80/87/381858087.db2.gz MWHKGLHKRCMSTQ-LBPRGKRZSA-N 0 1 286.366 2.553 20 30 CFEDMN COc1ccc2c(c1)OCC[C@H]2NCc1cc(C#N)n(C)c1 ZINC000372771875 381864769 /nfs/dbraw/zinc/86/47/69/381864769.db2.gz ICAXCDYUCWSLQQ-MRXNPFEDSA-N 0 1 297.358 2.519 20 30 CFEDMN C=CCC1(C(=O)Nc2nc(C(=O)OCC)c[nH]2)CCCC1 ZINC000415632027 381864821 /nfs/dbraw/zinc/86/48/21/381864821.db2.gz REZYSZZQKCFKGP-UHFFFAOYSA-N 0 1 291.351 2.661 20 30 CFEDMN C#CC[C@H](NCc1n[nH]c(C(C)(C)C)n1)c1ccccc1 ZINC000292866388 381872742 /nfs/dbraw/zinc/87/27/42/381872742.db2.gz HDHOFRDEQGFSTN-AWEZNQCLSA-N 0 1 282.391 2.956 20 30 CFEDMN C#CCCN(CCC)CC(=O)Nc1ccccc1C ZINC000299253162 381872932 /nfs/dbraw/zinc/87/29/32/381872932.db2.gz ZSSFAFJUWYCXER-UHFFFAOYSA-N 0 1 258.365 2.669 20 30 CFEDMN Cc1ncccc1O[C@@H]1CC[N@@H+](Cc2cccc(C#N)c2)C1 ZINC000372812922 381874691 /nfs/dbraw/zinc/87/46/91/381874691.db2.gz CTASQNLCWTZISI-QGZVFWFLSA-N 0 1 293.370 2.915 20 30 CFEDMN Cc1ncccc1O[C@@H]1CCN(Cc2cccc(C#N)c2)C1 ZINC000372812922 381874695 /nfs/dbraw/zinc/87/46/95/381874695.db2.gz CTASQNLCWTZISI-QGZVFWFLSA-N 0 1 293.370 2.915 20 30 CFEDMN N#Cc1ccc(CN2CCC([C@H]3CCOC3)CC2)cc1F ZINC000372815903 381874853 /nfs/dbraw/zinc/87/48/53/381874853.db2.gz QWPIGZYBSKYTHW-INIZCTEOSA-N 0 1 288.366 2.946 20 30 CFEDMN C=C(C)C[C@H](C)C(=O)Nc1nc(-c2ccc(C)o2)n[nH]1 ZINC000186440005 381910984 /nfs/dbraw/zinc/91/09/84/381910984.db2.gz SVUZBNAJOTURMS-VIFPVBQESA-N 0 1 274.324 2.914 20 30 CFEDMN CC(C)[C@]1(CO)CCCN(Cc2ccc(F)c(C#N)c2)C1 ZINC000293042641 381965425 /nfs/dbraw/zinc/96/54/25/381965425.db2.gz MGJXFVDXEDZWDB-QGZVFWFLSA-N 0 1 290.382 2.928 20 30 CFEDMN C[C@@H]1N(CCCOc2cccc(C#N)c2)CCOC1(C)C ZINC000357018301 381966706 /nfs/dbraw/zinc/96/67/06/381966706.db2.gz UWMJIOHYVONZDH-AWEZNQCLSA-N 0 1 288.391 2.826 20 30 CFEDMN C[C@H]1N(CCCOc2cccc(C#N)c2)CCOC1(C)C ZINC000357018305 381967400 /nfs/dbraw/zinc/96/74/00/381967400.db2.gz UWMJIOHYVONZDH-CQSZACIVSA-N 0 1 288.391 2.826 20 30 CFEDMN CC(C)CCN(CCC#N)C(=O)c1cccc2c[nH]nc21 ZINC000349429022 381933714 /nfs/dbraw/zinc/93/37/14/381933714.db2.gz DIIWQIUKVRRPFW-UHFFFAOYSA-N 0 1 284.363 2.965 20 30 CFEDMN C=C(C)CN(Cc1ccccc1)C(=O)[C@@H]1C[C@H]1c1nc[nH]n1 ZINC000373416763 382000568 /nfs/dbraw/zinc/00/05/68/382000568.db2.gz IVWSBLXLRCBEMW-HUUCEWRRSA-N 0 1 296.374 2.513 20 30 CFEDMN C=CC[C@@H](CO)[NH2+][C@H](C)c1cc(Cl)ccc1[O-] ZINC000186687718 381984692 /nfs/dbraw/zinc/98/46/92/381984692.db2.gz YAHXEYADBXSBMA-KOLCDFICSA-N 0 1 255.745 2.633 20 30 CFEDMN C=CCNC(=O)CN[C@@H](c1ccc(C)o1)C1CCCC1 ZINC000349799976 381990447 /nfs/dbraw/zinc/99/04/47/381990447.db2.gz LZVIUAIKXKGJQT-MRXNPFEDSA-N 0 1 276.380 2.711 20 30 CFEDMN C=C(C)CCN1CCN(c2ncccc2Cl)CC1 ZINC000351756318 382061872 /nfs/dbraw/zinc/06/18/72/382061872.db2.gz KZGVQDPBBGEOAW-UHFFFAOYSA-N 0 1 265.788 2.823 20 30 CFEDMN C=C(C)CCN1CCN([C@H](C)C(F)(F)F)CC1 ZINC000351870996 382067478 /nfs/dbraw/zinc/06/74/78/382067478.db2.gz QAWMTSWSRRLOBJ-LLVKDONJSA-N 0 1 250.308 2.521 20 30 CFEDMN C=C(C)CN(C)CC(=O)N[C@H]1CCCc2ccccc21 ZINC000351094852 382025854 /nfs/dbraw/zinc/02/58/54/382025854.db2.gz DGWKRDUVWKMBIS-INIZCTEOSA-N 0 1 272.392 2.688 20 30 CFEDMN C[C@@H](CNc1cccc(C#N)n1)N1CCc2sccc2C1 ZINC000301289108 382138560 /nfs/dbraw/zinc/13/85/60/382138560.db2.gz SIDQBNGSTIMNRW-LBPRGKRZSA-N 0 1 298.415 2.873 20 30 CFEDMN N#CC1(c2ccccn2)CCN(C[C@@H]2CCCCO2)CC1 ZINC000376595037 382154109 /nfs/dbraw/zinc/15/41/09/382154109.db2.gz JXFACULGGMGSLW-HNNXBMFYSA-N 0 1 285.391 2.508 20 30 CFEDMN C=C(C)CN(C)C(=O)NCc1nc2ccc(C)cc2[nH]1 ZINC000352160011 382199947 /nfs/dbraw/zinc/19/99/47/382199947.db2.gz FOJJPAHWVOVCBP-UHFFFAOYSA-N 0 1 272.352 2.589 20 30 CFEDMN C=CCOCCN1CCN(C/C=C/c2ccccc2)CC1 ZINC000293634285 382205143 /nfs/dbraw/zinc/20/51/43/382205143.db2.gz XAGJPWQXYDCXTH-RMKNXTFCSA-N 0 1 286.419 2.520 20 30 CFEDMN CC[C@]1(CO)CCCN(Cc2ccc(C#N)cc2OC)C1 ZINC000187545479 382207241 /nfs/dbraw/zinc/20/72/41/382207241.db2.gz JAAIFRRBUIYOSO-KRWDZBQOSA-N 0 1 288.391 2.551 20 30 CFEDMN CC[C@]1(CO)CCCN(Cc2ccccc2C#N)C1 ZINC000187621313 382228894 /nfs/dbraw/zinc/22/88/94/382228894.db2.gz ZTBRVGSWRPKKNZ-INIZCTEOSA-N 0 1 258.365 2.543 20 30 CFEDMN Cc1ccc(NCCN2CCc3sccc3C2)nc1C#N ZINC000302669091 382286287 /nfs/dbraw/zinc/28/62/87/382286287.db2.gz QUSPVUSFCNTPAV-UHFFFAOYSA-N 0 1 298.415 2.793 20 30 CFEDMN C=C(C)C[C@@H](C)C(=O)N1CCC(c2cnc[nH]2)CC1 ZINC000363808142 382245644 /nfs/dbraw/zinc/24/56/44/382245644.db2.gz AGNXARSDTZPJEJ-GFCCVEGCSA-N 0 1 261.369 2.718 20 30 CFEDMN C=C(CC)CN[C@H](C(=O)NC1CC1)c1ccccc1 ZINC000419289201 382273942 /nfs/dbraw/zinc/27/39/42/382273942.db2.gz XSTRDMGQCSTVCB-HNNXBMFYSA-N 0 1 258.365 2.562 20 30 CFEDMN Cc1ccc(NC[C@H](c2ccco2)N(C)C)nc1C#N ZINC000302730620 382303864 /nfs/dbraw/zinc/30/38/64/382303864.db2.gz VSVQSZQUFBIALZ-CYBMUJFWSA-N 0 1 270.336 2.570 20 30 CFEDMN N#CC1(F)CCN(Cc2cccc(-n3cccn3)c2)CC1 ZINC000352441865 382333554 /nfs/dbraw/zinc/33/35/54/382333554.db2.gz FMPCGFVSTBCESX-UHFFFAOYSA-N 0 1 284.338 2.700 20 30 CFEDMN C=C[C@H](CO)NCc1cc(Cl)cc(C(F)(F)F)c1 ZINC000352452069 382340174 /nfs/dbraw/zinc/34/01/74/382340174.db2.gz ARSGMAZARNTEKB-LLVKDONJSA-N 0 1 279.689 2.995 20 30 CFEDMN C=CC[C@@H](CO)NCc1c(Cl)cccc1OC(F)F ZINC000680484232 542330621 /nfs/dbraw/zinc/33/06/21/542330621.db2.gz HXNUBCZUQKNQON-VIFPVBQESA-N 0 1 291.725 2.968 20 30 CFEDMN COc1cc(F)ccc1NC(=O)c1ccc(C#N)c(O)c1 ZINC000188274656 382381324 /nfs/dbraw/zinc/38/13/24/382381324.db2.gz VFWSGSIHFOHDDH-UHFFFAOYSA-N 0 1 286.262 2.664 20 30 CFEDMN N#Cc1ccc(CN[C@H]2CC[N@H+](C3CCCC3)C2)s1 ZINC000377995564 382381804 /nfs/dbraw/zinc/38/18/04/382381804.db2.gz GZNFVOVBFPGUGG-LBPRGKRZSA-N 0 1 275.421 2.726 20 30 CFEDMN C[C@H](NCCOCC(F)F)c1ccc(C#N)cc1F ZINC000346514568 382391973 /nfs/dbraw/zinc/39/19/73/382391973.db2.gz BIXUBMUERWRFAS-VIFPVBQESA-N 0 1 272.270 2.630 20 30 CFEDMN Cc1cc(C#N)ccc1C(=O)Nc1ccc2nc[nH]c2c1 ZINC000352625317 382421983 /nfs/dbraw/zinc/42/19/83/382421983.db2.gz FYLXFOANWZIDMZ-UHFFFAOYSA-N 0 1 276.299 2.995 20 30 CFEDMN CS[C@@H]1CCN(Cc2ccc(F)c(C#N)c2)C1 ZINC000294153641 382436106 /nfs/dbraw/zinc/43/61/06/382436106.db2.gz AHHGOICAVBDRRZ-GFCCVEGCSA-N 0 1 250.342 2.635 20 30 CFEDMN C=CC[N@H+](CCc1ccco1)C[C@H](O)CC(F)(F)F ZINC000346627422 382443479 /nfs/dbraw/zinc/44/34/79/382443479.db2.gz YDYSSJJGXXUKFQ-LLVKDONJSA-N 0 1 277.286 2.623 20 30 CFEDMN N#Cc1csc(CN(CCO)Cc2ccccc2)c1 ZINC000305721526 382443745 /nfs/dbraw/zinc/44/37/45/382443745.db2.gz BTTMJFDEAZGOTG-UHFFFAOYSA-N 0 1 272.373 2.614 20 30 CFEDMN CC[N@H+]1CCN(CC#Cc2ccccc2Cl)[C@H](C)C1 ZINC000352670109 382444622 /nfs/dbraw/zinc/44/46/22/382444622.db2.gz CXFRLZKZXUNRJO-CQSZACIVSA-N 0 1 276.811 2.718 20 30 CFEDMN N#Cc1cncc(NC[C@@H](c2ccco2)N2CCCCC2)n1 ZINC000420580438 382410662 /nfs/dbraw/zinc/41/06/62/382410662.db2.gz GZTLONIEGSBDDM-AWEZNQCLSA-N 0 1 297.362 2.580 20 30 CFEDMN C[C@H](C(=O)NC1(C#N)CCC1)N1CC(C)(C)CC(C)(C)C1 ZINC000346570991 382419314 /nfs/dbraw/zinc/41/93/14/382419314.db2.gz QNFFRHWPIPZVLN-CYBMUJFWSA-N 0 1 291.439 2.695 20 30 CFEDMN C=C(C)CN(CCC(=O)OCC)Cc1cnn(C(C)C)c1 ZINC000352903835 382481489 /nfs/dbraw/zinc/48/14/89/382481489.db2.gz SBGHTPNKKWCDJV-UHFFFAOYSA-N 0 1 293.411 2.795 20 30 CFEDMN C=CC[C@H](CC)N[C@H](C)c1ncc(C(=O)OC)s1 ZINC000315424438 382528344 /nfs/dbraw/zinc/52/83/44/382528344.db2.gz XCAIIWJGKPYZPA-ZJUUUORDSA-N 0 1 268.382 2.935 20 30 CFEDMN CC(C)(C#N)c1ccccc1CN1CC[C@@]12CCOC2 ZINC000421018636 382506439 /nfs/dbraw/zinc/50/64/39/382506439.db2.gz LFNBWQYIMLADQL-KRWDZBQOSA-N 0 1 270.376 2.853 20 30 CFEDMN C=CC[C@@H](CC)N[C@@H](C)c1ncc(C(=O)OC)s1 ZINC000315424437 382528469 /nfs/dbraw/zinc/52/84/69/382528469.db2.gz XCAIIWJGKPYZPA-VHSXEESVSA-N 0 1 268.382 2.935 20 30 CFEDMN CC(C)CN(CC(=O)NC(C)C)Cc1ccc(C#N)cc1 ZINC000346790942 382512195 /nfs/dbraw/zinc/51/21/95/382512195.db2.gz GQOWYQZKCUVYMZ-UHFFFAOYSA-N 0 1 287.407 2.541 20 30 CFEDMN C=CCN1CC[C@H](N(C)Cc2cccc(C3CC3)c2)C1=O ZINC000421378169 382513851 /nfs/dbraw/zinc/51/38/51/382513851.db2.gz GGAONJSSDACXNW-KRWDZBQOSA-N 0 1 284.403 2.783 20 30 CFEDMN CN(C)c1ncccc1CN[C@H]1CCc2ccc(C#N)cc21 ZINC000353425454 382544305 /nfs/dbraw/zinc/54/43/05/382544305.db2.gz KEIDRYMSHDNXPG-KRWDZBQOSA-N 0 1 292.386 2.796 20 30 CFEDMN Cc1ccc([C@@H](C)N(C)CC(=O)NC2(C#N)CCC2)c(C)c1 ZINC000346853121 382546074 /nfs/dbraw/zinc/54/60/74/382546074.db2.gz VLVRUPDKAATMJF-OAHLLOKOSA-N 0 1 299.418 2.859 20 30 CFEDMN CC(=O)Nc1ccn([C@@H]2CCN(Cc3cccnc3C)C2)n1 ZINC000328626282 382555982 /nfs/dbraw/zinc/55/59/82/382555982.db2.gz LMSWVOPCZQGELB-OAHLLOKOSA-N 0 1 299.378 2.641 20 30 CFEDMN N#Cc1ccc2c(c1)[C@@H](N[C@@H](CO)c1ccsc1)CC2 ZINC000353597573 382571596 /nfs/dbraw/zinc/57/15/96/382571596.db2.gz PVXONEURIDTNNN-HOTGVXAUSA-N 0 1 284.384 2.930 20 30 CFEDMN Cc1ccncc1CN(C)CCOc1ccccc1C#N ZINC000353626088 382584949 /nfs/dbraw/zinc/58/49/49/382584949.db2.gz POEDKXNGJLNKQE-UHFFFAOYSA-N 0 1 281.359 2.773 20 30 CFEDMN C=CCC1(C(=O)N[C@@H](C)Cc2cc(C)[nH]n2)CCC1 ZINC000189533663 382621142 /nfs/dbraw/zinc/62/11/42/382621142.db2.gz MWJZPEKJKQBKRR-NSHDSACASA-N 0 1 261.369 2.512 20 30 CFEDMN C[C@@H](c1cccc(C#N)c1)N1CCCN(CC(F)F)CC1 ZINC000189981855 382648333 /nfs/dbraw/zinc/64/83/33/382648333.db2.gz OSIRIONARONQSL-ZDUSSCGKSA-N 0 1 293.361 2.892 20 30 CFEDMN C[C@H](c1cccc(C#N)c1)N1CCCN(C(=O)C2CC2)CC1 ZINC000190046848 382651703 /nfs/dbraw/zinc/65/17/03/382651703.db2.gz VRTRFDRIITXSGF-CQSZACIVSA-N 0 1 297.402 2.564 20 30 CFEDMN CCOCCOCC[N@@H+](C)[C@@H](C)c1cccc(C#N)c1 ZINC000190295704 382661110 /nfs/dbraw/zinc/66/11/10/382661110.db2.gz GHBWYNSUUFZLFH-AWEZNQCLSA-N 0 1 276.380 2.604 20 30 CFEDMN COc1ccc(Cl)cc1CNCc1cc(C#N)n(C)c1 ZINC000190893151 382684057 /nfs/dbraw/zinc/68/40/57/382684057.db2.gz GXMLLOBUIRRRFY-UHFFFAOYSA-N 0 1 289.766 2.849 20 30 CFEDMN C[C@@H]1CC(O)C[C@H](C)N1CC#Cc1ccc(Cl)cc1 ZINC000191187795 382694849 /nfs/dbraw/zinc/69/48/49/382694849.db2.gz NIABHMTXUZCQOR-OCZCAGDBSA-N 0 1 277.795 2.925 20 30 CFEDMN Cn1cccc1[C@@H]1CCCCN1Cc1cc(C#N)n(C)c1 ZINC000191431007 382700269 /nfs/dbraw/zinc/70/02/69/382700269.db2.gz AKHRGQGYFQACRM-KRWDZBQOSA-N 0 1 282.391 2.962 20 30 CFEDMN C=CCN(CCOC)Cc1ccc(OC)c(Cl)c1 ZINC000191758009 382702477 /nfs/dbraw/zinc/70/24/77/382702477.db2.gz YSSCWBNYRQWIQY-UHFFFAOYSA-N 0 1 269.772 2.983 20 30 CFEDMN CN(Cc1ccc(C#N)c(F)c1)[C@@H]1CCCc2c1cnn2C ZINC000192123015 382704925 /nfs/dbraw/zinc/70/49/25/382704925.db2.gz VQMPECKLBHYGEO-MRXNPFEDSA-N 0 1 298.365 2.940 20 30 CFEDMN CCOc1ccc(C=C(C)c2nc(C)c(C#N)c(=O)[nH]2)cc1 ZINC000193615009 382721526 /nfs/dbraw/zinc/72/15/26/382721526.db2.gz GEBJTOMAENUJEX-PKNBQFBNSA-N 0 1 295.342 2.909 20 30 CFEDMN COCC[N@H+](Cc1ccc(C#N)cc1)C[C@H]1CCC=CO1 ZINC000193726920 382723924 /nfs/dbraw/zinc/72/39/24/382723924.db2.gz PSYPUYZFGAQUGG-QGZVFWFLSA-N 0 1 286.375 2.699 20 30 CFEDMN C=CCN1CC[C@@H](N(C)C/C(C)=C\c2ccccc2)C1=O ZINC000337237458 382782468 /nfs/dbraw/zinc/78/24/68/382782468.db2.gz MBGGEOUCDXWXNP-AKMXKPQHSA-N 0 1 284.403 2.809 20 30 CFEDMN C[C@@H]1CN(c2ccc(C(F)(F)F)c(C#N)n2)[C@@H](C)CN1C ZINC000336994618 382749682 /nfs/dbraw/zinc/74/96/82/382749682.db2.gz ZHQARXYHWAEZRT-ZJUUUORDSA-N 0 1 298.312 2.501 20 30 CFEDMN COc1cc(C(=O)C(C#N)c2nc(C)cs2)cc(C)n1 ZINC000337345776 382807210 /nfs/dbraw/zinc/80/72/10/382807210.db2.gz LNRUCFINAQBXCY-LLVKDONJSA-N 0 1 287.344 2.654 20 30 CFEDMN C=CCCOCCNCc1cc(Cl)ccc1[N+](=O)[O-] ZINC000229879772 382854087 /nfs/dbraw/zinc/85/40/87/382854087.db2.gz YMLFXKWKYNIWRS-UHFFFAOYSA-N 0 1 284.743 2.931 20 30 CFEDMN C=CCN(CC=C)C(=O)CN(C)Cc1cccc2[nH]ccc21 ZINC000494039159 382909948 /nfs/dbraw/zinc/90/99/48/382909948.db2.gz RTGGKPAPKOIBCW-UHFFFAOYSA-N 0 1 297.402 2.800 20 30 CFEDMN CCN(Cc1ccncc1)Cc1ccc(C#N)c(OC)c1 ZINC000233472790 382871294 /nfs/dbraw/zinc/87/12/94/382871294.db2.gz ULGFBPSDIUAJND-UHFFFAOYSA-N 0 1 281.359 2.984 20 30 CFEDMN COC(=O)c1cccc(CN2C[C@H](C)[C@H](C)[C@H]2C)c1C#N ZINC000577833475 382872043 /nfs/dbraw/zinc/87/20/43/382872043.db2.gz SAGVGNCORHGLSF-RWMBFGLXSA-N 0 1 286.375 2.821 20 30 CFEDMN COc1cc(CNCc2cnc(C)s2)ccc1C#N ZINC000234931770 382875786 /nfs/dbraw/zinc/87/57/86/382875786.db2.gz GCKFFQWKUMRTQT-UHFFFAOYSA-N 0 1 273.361 2.622 20 30 CFEDMN COC(=O)c1cccc(CN2CC[C@H](C)[C@@H]2C)c1C#N ZINC000533760803 382910472 /nfs/dbraw/zinc/91/04/72/382910472.db2.gz HXSIZJDZZHAHJY-RYUDHWBXSA-N 0 1 272.348 2.575 20 30 CFEDMN N#CCc1ccc(CN(CCO)Cc2cccc(F)c2)cc1 ZINC000494254108 382910913 /nfs/dbraw/zinc/91/09/13/382910913.db2.gz OAKDDDQTJHSLTC-UHFFFAOYSA-N 0 1 298.361 2.886 20 30 CFEDMN C=CC[N@H+](C)[C@@H](C(=O)[O-])c1ccccc1C(F)(F)F ZINC000578329868 382910941 /nfs/dbraw/zinc/91/09/41/382910941.db2.gz QUAVEBBFMNFYMN-LLVKDONJSA-N 0 1 273.254 2.949 20 30 CFEDMN C/C(=C\c1ccccc1)CN(C)[C@H](C)C(=O)N(C)CCC#N ZINC000494262958 382911007 /nfs/dbraw/zinc/91/10/07/382911007.db2.gz UCSVILNFMYIIFA-QJPKHSJYSA-N 0 1 299.418 2.782 20 30 CFEDMN Cc1cc(N(C)C)ccc1NC(=O)c1ccc(C#N)c(O)c1 ZINC000442618581 382939095 /nfs/dbraw/zinc/93/90/95/382939095.db2.gz QZGDTBFSRQEKRX-UHFFFAOYSA-N 0 1 295.342 2.891 20 30 CFEDMN CCCCn1ncc(NC(=O)c2ccc(C#N)c(O)c2)c1C ZINC000442676073 382943721 /nfs/dbraw/zinc/94/37/21/382943721.db2.gz IJANVUCQDMMSJH-UHFFFAOYSA-N 0 1 298.346 2.821 20 30 CFEDMN N#Cc1csc(C(=O)Nc2cccc(-c3cn[nH]n3)c2)c1 ZINC000442672424 382944230 /nfs/dbraw/zinc/94/42/30/382944230.db2.gz OCGZZMJJXXTXOF-UHFFFAOYSA-N 0 1 295.327 2.657 20 30 CFEDMN C=CCOc1ccc(C[N@@H+]2CC[C@@H](C)[C@@H](C(=O)[O-])C2)cc1 ZINC000578532546 382930082 /nfs/dbraw/zinc/93/00/82/382930082.db2.gz RWCMMUIXTVSBGN-CJNGLKHVSA-N 0 1 289.375 2.794 20 30 CFEDMN CC(C)OC(=O)[C@@H](C)N(C)CCCCC(C)(C)C#N ZINC000444641315 382976482 /nfs/dbraw/zinc/97/64/82/382976482.db2.gz DOXYQQCYDTVGGE-CYBMUJFWSA-N 0 1 268.401 2.978 20 30 CFEDMN N#Cc1ccc([C@@H](C(N)=O)N2CC[C@H](C3CCCC3)C2)cc1 ZINC000579223539 382993882 /nfs/dbraw/zinc/99/38/82/382993882.db2.gz ZOVPJCPGXLSAIA-IRXDYDNUSA-N 0 1 297.402 2.597 20 30 CFEDMN C=C(C)CN(C)CC(=O)N1CCC[C@@H]2CCCC[C@H]21 ZINC000245564989 383009178 /nfs/dbraw/zinc/00/91/78/383009178.db2.gz ZHRRWFPZFIQXAR-LSDHHAIUSA-N 0 1 264.413 2.676 20 30 CFEDMN C[C@@H](C#N)CN(C)CC[C@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC000495874211 383038018 /nfs/dbraw/zinc/03/80/18/383038018.db2.gz LFBBAMASOMJGSK-KBPBESRZSA-N 0 1 295.427 2.725 20 30 CFEDMN C=CCC[C@@H](O)CN(Cc1ccco1)C[C@H]1CCCO1 ZINC000246058306 383060154 /nfs/dbraw/zinc/06/01/54/383060154.db2.gz VTZWQFRDIYIFCB-GDBMZVCRSA-N 0 1 279.380 2.588 20 30 CFEDMN C=C(CC)CNC(=O)N1CCC(c2cn[nH]c2C)CC1 ZINC000580042589 383077222 /nfs/dbraw/zinc/07/72/22/383077222.db2.gz PSNSNXRGEWPQCF-UHFFFAOYSA-N 0 1 276.384 2.573 20 30 CFEDMN CC(C)C[C@@H]1CCCN(CC(=O)N[C@](C)(C#N)C2CC2)C1 ZINC000246924321 383121415 /nfs/dbraw/zinc/12/14/15/383121415.db2.gz BSGNLDDVJCCKOG-WMLDXEAASA-N 0 1 291.439 2.553 20 30 CFEDMN C=CCNC(=O)CN[C@]1(c2cccc(C)c2)C[C@H]1CC ZINC000502506166 383138151 /nfs/dbraw/zinc/13/81/51/383138151.db2.gz DTAYWRZFPRHIQP-RHSMWYFYSA-N 0 1 272.392 2.512 20 30 CFEDMN C=CCCCC[N@@H+]1CC[C@](C(=O)[O-])(C(F)(F)F)C1 ZINC000580956008 383082250 /nfs/dbraw/zinc/08/22/50/383082250.db2.gz ULNYNDDYMSPUKL-NSHDSACASA-N 0 1 265.275 2.682 20 30 CFEDMN C=CCCCCN1CCN(c2nc(CC)ns2)CC1 ZINC000583303673 383089002 /nfs/dbraw/zinc/08/90/02/383089002.db2.gz WSWYCNLRQBISMB-UHFFFAOYSA-N 0 1 280.441 2.579 20 30 CFEDMN CC(C)(CC#N)CSc1nc(-c2cccnc2)n[nH]1 ZINC000564587490 383170760 /nfs/dbraw/zinc/17/07/60/383170760.db2.gz XSZMQNAJPOWYID-UHFFFAOYSA-N 0 1 273.365 2.899 20 30 CFEDMN CCN(CC/C=C\c1cncc(OC)c1)C[C@H](C)C#N ZINC000565478195 383179096 /nfs/dbraw/zinc/17/90/96/383179096.db2.gz MVDVIXPDEPKJLC-BRLPQQTGSA-N 0 1 273.380 2.975 20 30 CFEDMN CCC[C@]1(C)CCCN(CC(=O)N[C@](C)(C#N)C(C)C)C1 ZINC000247530279 383181545 /nfs/dbraw/zinc/18/15/45/383181545.db2.gz OELJKJSJDLLLER-IAGOWNOFSA-N 0 1 293.455 2.943 20 30 CFEDMN CCC[C@]1(C)CCCN(CC(=O)N[C@](C)(C#N)C2CC2)C1 ZINC000247525792 383181661 /nfs/dbraw/zinc/18/16/61/383181661.db2.gz NUNNOPDPOCLTFH-IAGOWNOFSA-N 0 1 291.439 2.697 20 30 CFEDMN C=CCOCCN(Cc1cccs1)[C@@H]1C=C[C@@H](CO)C1 ZINC000339197094 383182954 /nfs/dbraw/zinc/18/29/54/383182954.db2.gz FYYTXXZVHOOBLL-HUUCEWRRSA-N 0 1 293.432 2.690 20 30 CFEDMN CC[C@@H](C(=O)N(C)[C@H](C)CC#N)N(C)Cc1ccccc1 ZINC000339274082 383188419 /nfs/dbraw/zinc/18/84/19/383188419.db2.gz HQUYDEGJBQOMLQ-ZBFHGGJFSA-N 0 1 287.407 2.658 20 30 CFEDMN C=CCC[C@H](O)CN1C[C@H](C)OC[C@H]1c1ccccc1 ZINC000247679183 383190801 /nfs/dbraw/zinc/19/08/01/383190801.db2.gz ZLRJRRJPEAJYKN-XIRDDKMYSA-N 0 1 275.392 2.776 20 30 CFEDMN CC#CCN(C)CCOc1ccc(OCCC)cc1 ZINC000555751529 383149088 /nfs/dbraw/zinc/14/90/88/383149088.db2.gz HAZUQENSSUPKDZ-UHFFFAOYSA-N 0 1 261.365 2.809 20 30 CFEDMN CN1CC[C@@H](NC(=O)C2(C#N)CCCC2)[C@H]1c1ccccc1 ZINC000248078977 383210711 /nfs/dbraw/zinc/21/07/11/383210711.db2.gz RNWZVDBGUYFTSC-HZPDHXFCSA-N 0 1 297.402 2.632 20 30 CFEDMN CC(C)CCN(CCC#N)C[C@@H]1CCCC[C@@H]1O ZINC000562478448 383158879 /nfs/dbraw/zinc/15/88/79/383158879.db2.gz HKJLGSLJSLNTKQ-GJZGRUSLSA-N 0 1 252.402 2.799 20 30 CFEDMN C[C@H](C#N)CNCCC(=O)Nc1cccc(C(F)(F)F)c1 ZINC000562993946 383163893 /nfs/dbraw/zinc/16/38/93/383163893.db2.gz RZWJXMGNMIEPEM-SNVBAGLBSA-N 0 1 299.296 2.783 20 30 CFEDMN C=CCN(CC=C)C(=O)[C@@H](C)N1CCS[C@H](C(C)C)C1 ZINC000247337904 383164751 /nfs/dbraw/zinc/16/47/51/383164751.db2.gz FWYHXUFWYFXAJM-CABCVRRESA-N 0 1 296.480 2.649 20 30 CFEDMN C[C@@H]1CCN(Cc2cc(C#N)ccc2F)C[C@H]1n1ccnc1 ZINC000247385540 383168672 /nfs/dbraw/zinc/16/86/72/383168672.db2.gz IEYOAFNTWCHQAJ-CXAGYDPISA-N 0 1 298.365 2.977 20 30 CFEDMN CC(C)(C)c1nc(CSc2cccnc2C#N)n[nH]1 ZINC000567248529 383256557 /nfs/dbraw/zinc/25/65/57/383256557.db2.gz FYTSSBINCFWMLK-UHFFFAOYSA-N 0 1 273.365 2.661 20 30 CFEDMN C=CCN(CC=C)C(=O)CN1C[C@H](C)[C@@H]1c1ccccc1 ZINC000248343272 383226304 /nfs/dbraw/zinc/22/63/04/383226304.db2.gz KBWOLNZSMIFNAY-MAUKXSAKSA-N 0 1 284.403 2.880 20 30 CFEDMN C=CCOc1cccc(CN(C(C)C)C2COC2)c1 ZINC000449352623 383234224 /nfs/dbraw/zinc/23/42/24/383234224.db2.gz WAMJNRNBIMZYRU-UHFFFAOYSA-N 0 1 261.365 2.861 20 30 CFEDMN N#CCC[C@H](C#N)CN[C@@H]1CCCN(c2ccccc2)C1 ZINC000519793412 383234667 /nfs/dbraw/zinc/23/46/67/383234667.db2.gz PSEQTECUEWLRRA-HZPDHXFCSA-N 0 1 282.391 2.689 20 30 CFEDMN N#CCC[C@@H](C#N)CN[C@@H]1CCCN(c2ccccc2)C1 ZINC000519793413 383234887 /nfs/dbraw/zinc/23/48/87/383234887.db2.gz PSEQTECUEWLRRA-JKSUJKDBSA-N 0 1 282.391 2.689 20 30 CFEDMN C=C(C)C(C)(C)C(=O)Nc1cc(CN(C)C)ccn1 ZINC000424709481 383237345 /nfs/dbraw/zinc/23/73/45/383237345.db2.gz SYNXSFFHUWOSOK-UHFFFAOYSA-N 0 1 261.369 2.684 20 30 CFEDMN CN(C)[C@H](CNc1ncc2c(c1C#N)CCC2)c1ccco1 ZINC000425199614 383339495 /nfs/dbraw/zinc/33/94/95/383339495.db2.gz IKLLHRYWIMNVCP-OAHLLOKOSA-N 0 1 296.374 2.750 20 30 CFEDMN C=CCCC[C@H](C)[N@@H+](C)[C@H]1CCCCN(C)C1=O ZINC000634743007 383342048 /nfs/dbraw/zinc/34/20/48/383342048.db2.gz GKJNIQKKPCVHEB-KBPBESRZSA-N 0 1 252.402 2.674 20 30 CFEDMN Cc1cc(C[C@H](C)Nc2c(C#N)cccc2[N+](=O)[O-])[nH]n1 ZINC000425232165 383344402 /nfs/dbraw/zinc/34/44/02/383344402.db2.gz FGEXSEXWZOHPIN-VIFPVBQESA-N 0 1 285.307 2.541 20 30 CFEDMN C=CCN(Cc1cccs1)C[C@H](O)C[C@@](C)(O)C1CC1 ZINC000634641147 383294937 /nfs/dbraw/zinc/29/49/37/383294937.db2.gz NTVBIMGUSGYJEL-GDBMZVCRSA-N 0 1 295.448 2.648 20 30 CFEDMN C=C[C@@H]1OCC[C@H]1NCc1cc(O)ccc1Br ZINC000449516792 383350422 /nfs/dbraw/zinc/35/04/22/383350422.db2.gz CGSMPSVHXNMGBL-OLZOCXBDSA-N 0 1 298.180 2.588 20 30 CFEDMN C=C[C@@H]1OCC[C@H]1CN=c1nc(-c2ccccc2)[nH]s1 ZINC000425287936 383360304 /nfs/dbraw/zinc/36/03/04/383360304.db2.gz XBTPRAKUSMXHBZ-STQMWFEESA-N 0 1 287.388 2.630 20 30 CFEDMN N#Cc1ccc(CN2CCCC[C@@H]2[C@@H](O)C(F)(F)F)cc1 ZINC000340206151 383381963 /nfs/dbraw/zinc/38/19/63/383381963.db2.gz SUSCZQGFSWFDQY-ZIAGYGMSSA-N 0 1 298.308 2.836 20 30 CFEDMN CC[C@](C)(C(=O)OC)N(CCC(C)(C)C#N)CC1CC1 ZINC000425507731 383383126 /nfs/dbraw/zinc/38/31/26/383383126.db2.gz FVSWLHJXKGYGIR-MRXNPFEDSA-N 0 1 280.412 2.980 20 30 CFEDMN C=CCC[C@H](O)CN1CCC[C@@H](C)[C@H]1C(=O)OC(C)(C)C ZINC000425525084 383384185 /nfs/dbraw/zinc/38/41/85/383384185.db2.gz SNNYQRQUYALGMM-ILXRZTDVSA-N 0 1 297.439 2.756 20 30 CFEDMN CC(C)c1cc(N[C@H]2CC[C@@H](CC#N)C2)nc(N(C)C)n1 ZINC000450671436 383480742 /nfs/dbraw/zinc/48/07/42/383480742.db2.gz HQDQNZJBLIODOD-STQMWFEESA-N 0 1 287.411 2.582 20 30 CFEDMN N#CC1(CN2CCC(OC[C@@H]3CCCCO3)CC2)CCC1 ZINC000450477920 383427208 /nfs/dbraw/zinc/42/72/08/383427208.db2.gz YRIHFGKWMOEMRX-INIZCTEOSA-N 0 1 292.423 2.730 20 30 CFEDMN Cc1c(C#N)c(N2C[C@@H](C)N(C)[C@@H](C)C2)nc2ccccc12 ZINC000450544829 383454470 /nfs/dbraw/zinc/45/44/70/383454470.db2.gz RVFXRASOGLXDNG-BETUJISGSA-N 0 1 294.402 2.944 20 30 CFEDMN C=CCCC[C@H](C)NC(=O)N1CCN(C)[C@@H](C(C)C)C1 ZINC000486489201 383472038 /nfs/dbraw/zinc/47/20/38/383472038.db2.gz QCNSVDYQNWLION-LSDHHAIUSA-N 0 1 281.444 2.713 20 30 CFEDMN Cc1nc(CN(Cc2ccc(C#N)cc2)CC(C)C)n[nH]1 ZINC000428444891 383474105 /nfs/dbraw/zinc/47/41/05/383474105.db2.gz DIBQEGGSEJLMCG-UHFFFAOYSA-N 0 1 283.379 2.643 20 30 CFEDMN CC(C)[C@@H]1CN(Cc2ccc(CC#N)cc2)CC[N@H+]1C ZINC000487980828 383483635 /nfs/dbraw/zinc/48/36/35/383483635.db2.gz MAALRIQBAJUMEF-KRWDZBQOSA-N 0 1 271.408 2.525 20 30 CFEDMN C=CC[C@H](C(=O)N1C[C@@H](C)N(C)C[C@H]1C)c1ccccc1 ZINC000428023620 383419804 /nfs/dbraw/zinc/41/98/04/383419804.db2.gz LXRALQMFKUYZNY-INMHGKMJSA-N 0 1 286.419 2.897 20 30 CFEDMN CSC[C@H]1CCCN(C[C@H](C#N)CCC#N)C1 ZINC000429296057 383516133 /nfs/dbraw/zinc/51/61/33/383516133.db2.gz RIFDEVQIIRVZMS-STQMWFEESA-N 0 1 251.399 2.505 20 30 CFEDMN C=CC[C@H]1[N@@H+](Cc2cc(C(=O)[O-])nn2C)CCCC1(C)C ZINC000635312541 383530666 /nfs/dbraw/zinc/53/06/66/383530666.db2.gz CHFHKUVMBXSIDF-CQSZACIVSA-N 0 1 291.395 2.685 20 30 CFEDMN COCCC1CCN(Cc2ccc(C#N)s2)CC1 ZINC000528579167 383583654 /nfs/dbraw/zinc/58/36/54/383583654.db2.gz DOZGTFHVVVGBEC-UHFFFAOYSA-N 0 1 264.394 2.868 20 30 CFEDMN CCc1occc1C(=O)C(C#N)c1nnc2n1CCCCC2 ZINC000430522884 383594936 /nfs/dbraw/zinc/59/49/36/383594936.db2.gz FLUDCKGVIKQIRK-GFCCVEGCSA-N 0 1 298.346 2.650 20 30 CFEDMN C/C(Cl)=C\CN1CC[C@H](Oc2ccc(C#N)cn2)C1 ZINC000528504404 383558381 /nfs/dbraw/zinc/55/83/81/383558381.db2.gz AMSHCINOLZBFSD-HQAMWZJRSA-N 0 1 277.755 2.549 20 30 CFEDMN CCO[C@@H]1CCN(Cc2ccc(F)c(C#N)c2)C[C@H]1C ZINC000451547782 383642330 /nfs/dbraw/zinc/64/23/30/383642330.db2.gz UNNCBWBOAUCKKV-MLGOLLRUSA-N 0 1 276.355 2.944 20 30 CFEDMN C=CCN1CC[C@H](N[C@@H](CC)c2ccc(F)cc2F)C1=O ZINC000280900519 195021846 /nfs/dbraw/zinc/02/18/46/195021846.db2.gz BMVZVOPFAGMYNO-GJZGRUSLSA-N 0 1 294.345 2.792 20 30 CFEDMN C[C@H](NC(=O)CN1CCC(CCC#N)CC1)c1ccccc1 ZINC000570958653 383650915 /nfs/dbraw/zinc/65/09/15/383650915.db2.gz JIPDNTOGHIROGG-HNNXBMFYSA-N 0 1 299.418 2.880 20 30 CFEDMN C=C(C)[C@H](NC(=O)[C@@H](C)N(C)C)c1ccc(F)c(F)c1 ZINC000635814506 383654265 /nfs/dbraw/zinc/65/42/65/383654265.db2.gz OPFLIBPKSVLJSC-YGRLFVJLSA-N 0 1 282.334 2.648 20 30 CFEDMN CCC(C#N)(CC)C(=O)NCc1nc2ccc(C)cc2[nH]1 ZINC000528726138 383615937 /nfs/dbraw/zinc/61/59/37/383615937.db2.gz ZAXYXZPCDKNSDX-UHFFFAOYSA-N 0 1 284.363 2.818 20 30 CFEDMN C[C@H](CCC#N)N1CCN(c2cccc3[nH]ccc32)CC1 ZINC000528761404 383627646 /nfs/dbraw/zinc/62/76/46/383627646.db2.gz DUJQSBMXZZXZKY-CQSZACIVSA-N 0 1 282.391 2.982 20 30 CFEDMN C=CC[C@@H]1N(C(=O)[C@@H](C)N(C)C)CCCC1(C)C ZINC000635863384 383657461 /nfs/dbraw/zinc/65/74/61/383657461.db2.gz ZEUKNNOVYPEPGJ-OLZOCXBDSA-N 0 1 252.402 2.530 20 30 CFEDMN C[C@@H]1CC(F)(F)CCN1C[C@@H](O)c1ccc(C#N)cc1 ZINC000528771555 383632599 /nfs/dbraw/zinc/63/25/99/383632599.db2.gz XXBOVEWAZRZMPU-BXUZGUMPSA-N 0 1 280.318 2.711 20 30 CFEDMN C=CC[C@@H]1CCN(C(=O)CN(C)CCc2ccccc2)C1 ZINC000636251555 383751126 /nfs/dbraw/zinc/75/11/26/383751126.db2.gz IHWMZULJZRPVDT-QGZVFWFLSA-N 0 1 286.419 2.586 20 30 CFEDMN Cc1ncsc1C[N@H+](C)Cc1ccc(OCC#N)cc1 ZINC000264577948 383757362 /nfs/dbraw/zinc/75/73/62/383757362.db2.gz UOBIQZDVFKMSBL-UHFFFAOYSA-N 0 1 287.388 2.986 20 30 CFEDMN Cc1ncsc1CN(C)Cc1ccc(OCC#N)cc1 ZINC000264577948 383757363 /nfs/dbraw/zinc/75/73/63/383757363.db2.gz UOBIQZDVFKMSBL-UHFFFAOYSA-N 0 1 287.388 2.986 20 30 CFEDMN CC[C@H]1CO[C@@H](C)CN1Cc1ccc(OCC#N)cc1 ZINC000264584704 383758313 /nfs/dbraw/zinc/75/83/13/383758313.db2.gz WZGMALWYDAGQRV-ZFWWWQNUSA-N 0 1 274.364 2.588 20 30 CFEDMN C=C(C)CC[N@H+]1CCc2c(F)ccc(C(=O)[O-])c2C1 ZINC000530171022 383767758 /nfs/dbraw/zinc/76/77/58/383767758.db2.gz VJBSODDCMFUKJN-UHFFFAOYSA-N 0 1 263.312 2.848 20 30 CFEDMN Cn1cc([C@H](NCC2(CC#N)CC2)c2ccccc2)cn1 ZINC000572325314 383772861 /nfs/dbraw/zinc/77/28/61/383772861.db2.gz XSDSOHYWZAHSJD-MRXNPFEDSA-N 0 1 280.375 2.793 20 30 CFEDMN C=CCCCCN1Cc2ccccc2C[C@H]1C(=O)NC ZINC000645994947 383813528 /nfs/dbraw/zinc/81/35/28/383813528.db2.gz BXWJSDLWJIIUIM-INIZCTEOSA-N 0 1 272.392 2.516 20 30 CFEDMN C=CCCCCCN1Cc2ccccc2C[C@H]1C(=O)NC ZINC000645995222 383814057 /nfs/dbraw/zinc/81/40/57/383814057.db2.gz DPDULVSKTAQSGJ-KRWDZBQOSA-N 0 1 286.419 2.906 20 30 CFEDMN CC[C@H](N[C@@H](C)c1ccc(C#N)cc1F)[C@H](O)C(F)F ZINC000453267216 383824587 /nfs/dbraw/zinc/82/45/87/383824587.db2.gz HLQUWHNNCMAPGS-HJIKLVIJSA-N 0 1 286.297 2.753 20 30 CFEDMN CC(C)c1nc(CN[C@@H]2CCc3ccc(C#N)cc32)n[nH]1 ZINC000453298228 383842173 /nfs/dbraw/zinc/84/21/73/383842173.db2.gz UJKFIXMXCSRMGV-CQSZACIVSA-N 0 1 281.363 2.577 20 30 CFEDMN CC#CCCNC(=O)c1c(O)cc(Cl)cc1Cl ZINC000436631427 383859832 /nfs/dbraw/zinc/85/98/32/383859832.db2.gz UUDQNPXBHGWCBV-UHFFFAOYSA-N 0 1 272.131 2.842 20 30 CFEDMN C=CC(C)(C)CNc1nc(C(F)(F)F)nc2[nH]cnc21 ZINC000573071525 383866043 /nfs/dbraw/zinc/86/60/43/383866043.db2.gz VEVUYPDVAPOPPP-UHFFFAOYSA-N 0 1 285.273 2.947 20 30 CFEDMN C=CCCCC[N@H+](CCOC)Cc1c(C)nn(C)c1C ZINC000573334149 383913849 /nfs/dbraw/zinc/91/38/49/383913849.db2.gz BJDQGJYWGIOGSH-UHFFFAOYSA-N 0 1 279.428 2.842 20 30 CFEDMN C=CC[C@@H](C)NC(=O)NC[C@H](c1ccsc1)N(C)C ZINC000265289115 383887923 /nfs/dbraw/zinc/88/79/23/383887923.db2.gz JZDGFMDWMLEXLY-DGCLKSJQSA-N 0 1 281.425 2.615 20 30 CFEDMN C[C@@H]1CCC[C@@](C#N)(NC(=O)c2cccc3n[nH]cc32)C1 ZINC000265356340 383901286 /nfs/dbraw/zinc/90/12/86/383901286.db2.gz LHSMRTLUNIMHDN-BDJLRTHQSA-N 0 1 282.347 2.765 20 30 CFEDMN C=CC[N@@H+](CC1CCCCC1)CC1(C(=O)[O-])CC1 ZINC000574047354 384035537 /nfs/dbraw/zinc/03/55/37/384035537.db2.gz WBKOTLZUMOGJNS-UHFFFAOYSA-N 0 1 251.370 2.920 20 30 CFEDMN CC1(C)CC[N@@H+](Cc2ccc(C#N)cc2[N+](=O)[O-])C1 ZINC000574329799 384079128 /nfs/dbraw/zinc/07/91/28/384079128.db2.gz MGXGYOSHEKFQAL-UHFFFAOYSA-N 0 1 259.309 2.698 20 30 CFEDMN CC1(C)CCN(Cc2ccc(C#N)cc2[N+](=O)[O-])C1 ZINC000574329799 384079136 /nfs/dbraw/zinc/07/91/36/384079136.db2.gz MGXGYOSHEKFQAL-UHFFFAOYSA-N 0 1 259.309 2.698 20 30 CFEDMN Cc1cc(C[C@@H](C)Nc2ncc3c(c2C#N)CCC3)[nH]n1 ZINC000574984072 384170903 /nfs/dbraw/zinc/17/09/03/384170903.db2.gz YYGKRYVGUISERR-SNVBAGLBSA-N 0 1 281.363 2.517 20 30 CFEDMN C#CCN(CC)Cc1cc(=O)oc2cc(C)c(C)cc12 ZINC000266926033 384262547 /nfs/dbraw/zinc/26/25/47/384262547.db2.gz NJLOHTKUEPDLIW-UHFFFAOYSA-N 0 1 269.344 2.865 20 30 CFEDMN C=CCOc1ccccc1CNCc1ccn(C)c1 ZINC000267139167 384306190 /nfs/dbraw/zinc/30/61/90/384306190.db2.gz XKEOACBRZKYDBT-UHFFFAOYSA-N 0 1 256.349 2.880 20 30 CFEDMN N#Cc1ccc(CN[C@H](CCO)c2ccccc2)s1 ZINC000267166351 384313093 /nfs/dbraw/zinc/31/30/93/384313093.db2.gz GZMJVNBOJHEJRH-OAHLLOKOSA-N 0 1 272.373 2.833 20 30 CFEDMN CC#CC[C@H](CO)NCc1ccc(-c2ccc(F)cc2)o1 ZINC000641769300 384336710 /nfs/dbraw/zinc/33/67/10/384336710.db2.gz SBNNGEWPMKKEHV-OAHLLOKOSA-N 0 1 287.334 2.950 20 30 CFEDMN C=CCC[C@H](CO)NCc1c(F)cc(C)cc1F ZINC000641760372 384326914 /nfs/dbraw/zinc/32/69/14/384326914.db2.gz QQZHBVHMYGLFKT-LLVKDONJSA-N 0 1 255.308 2.690 20 30 CFEDMN C=CCC[C@@H](CO)NCc1c(F)cc(C)cc1F ZINC000641760373 384327024 /nfs/dbraw/zinc/32/70/24/384327024.db2.gz QQZHBVHMYGLFKT-NSHDSACASA-N 0 1 255.308 2.690 20 30 CFEDMN N#Cc1ccc(CN2CCC[C@H]([C@H](O)C(F)(F)F)C2)cc1 ZINC000277700015 384379749 /nfs/dbraw/zinc/37/97/49/384379749.db2.gz HRWVHUHFLJNRGT-KBPBESRZSA-N 0 1 298.308 2.693 20 30 CFEDMN C=CC[C@H]1N(Cc2nccc(N)n2)CCCC1(C)C ZINC000277896162 384435553 /nfs/dbraw/zinc/43/55/53/384435553.db2.gz WKHZMQOBWDTHGV-GFCCVEGCSA-N 0 1 260.385 2.626 20 30 CFEDMN Cc1oc(C#N)cc1C(=O)Nc1nc2ccc(C)cc2[nH]1 ZINC000344480517 220281917 /nfs/dbraw/zinc/28/19/17/220281917.db2.gz NYJGWDVSURQGTD-UHFFFAOYSA-N 0 1 280.287 2.897 20 30 CFEDMN Cn1cc(CN2CC[C@H](CC(F)(F)F)C2)cc1C#N ZINC000278116600 384476659 /nfs/dbraw/zinc/47/66/59/384476659.db2.gz APILVAQMQLKIFV-SNVBAGLBSA-N 0 1 271.286 2.671 20 30 CFEDMN C#CCN1CCC(c2nc(-c3ccccc3F)no2)CC1 ZINC000278121279 384478146 /nfs/dbraw/zinc/47/81/46/384478146.db2.gz OZAPKGMBLKAJQU-UHFFFAOYSA-N 0 1 285.322 2.688 20 30 CFEDMN C=CCC(CC=C)C(=O)N1CCN(CC(C)C)CC1 ZINC000268146639 384545852 /nfs/dbraw/zinc/54/58/52/384545852.db2.gz JJYBMZDHMZGPHB-UHFFFAOYSA-N 0 1 264.413 2.555 20 30 CFEDMN CC(C)(C)CN(CCC#N)C(=O)[C@H]1CCCc2[nH]ncc21 ZINC000268161726 384549316 /nfs/dbraw/zinc/54/93/16/384549316.db2.gz POFNEYBGCKQXIK-LBPRGKRZSA-N 0 1 288.395 2.618 20 30 CFEDMN C#Cc1cccc(N(CC)C(=O)CN(CC)C2CC2)c1 ZINC000269684663 384835510 /nfs/dbraw/zinc/83/55/10/384835510.db2.gz MESCVDNQEUNGIQ-UHFFFAOYSA-N 0 1 270.376 2.505 20 30 CFEDMN C=CCCC(C)(C)CNC(=O)[C@@H](N)c1ccccc1 ZINC000638875023 385008922 /nfs/dbraw/zinc/00/89/22/385008922.db2.gz LRPJKWGUKMQGDX-AWEZNQCLSA-N 0 1 260.381 2.795 20 30 CFEDMN C=CCOc1cccc(CN[C@@H](C)c2cn[nH]c2)c1 ZINC000270232141 385022971 /nfs/dbraw/zinc/02/29/71/385022971.db2.gz QVPCWLSJAXVWNS-LBPRGKRZSA-N 0 1 257.337 2.825 20 30 CFEDMN CCC#C[C@@H](C)N[C@H](CO)c1ccc(Br)cc1 ZINC000644714254 385014977 /nfs/dbraw/zinc/01/49/77/385014977.db2.gz SCZDAJIVFHEANY-BXUZGUMPSA-N 0 1 296.208 2.874 20 30 CFEDMN C=CCN(CCOC)Cc1cc2ccccc2n1C ZINC000639099032 385187128 /nfs/dbraw/zinc/18/71/28/385187128.db2.gz DVSMAPCCSGCIFK-UHFFFAOYSA-N 0 1 258.365 2.813 20 30 CFEDMN C=C(C)CN[C@H](c1ccc(C)cc1)[C@H](C)S(C)(=O)=O ZINC000280820834 385168139 /nfs/dbraw/zinc/16/81/39/385168139.db2.gz NJUIDZJKCUEDRQ-ZFWWWQNUSA-N 0 1 281.421 2.635 20 30 CFEDMN C#Cc1cccc(NC(=O)N[C@@H](C)c2n[nH]c(C(C)C)n2)c1 ZINC000270747618 385214220 /nfs/dbraw/zinc/21/42/20/385214220.db2.gz ODDHCMFJPMIEEY-NSHDSACASA-N 0 1 297.362 2.792 20 30 CFEDMN CC[C@H]1CN(Cc2ccc(C#N)c(OC)c2)CCCO1 ZINC000282141558 385225155 /nfs/dbraw/zinc/22/51/55/385225155.db2.gz CBMYRJDZFOCAFR-HNNXBMFYSA-N 0 1 274.364 2.568 20 30 CFEDMN CC1(C)SC[C@H]1NCc1ccc(C#N)cc1F ZINC000282586056 385346479 /nfs/dbraw/zinc/34/64/79/385346479.db2.gz BWCQHWZPEJEKDC-GFCCVEGCSA-N 0 1 250.342 2.681 20 30 CFEDMN COCCCn1nccc1CN[C@H](C)c1ccc(C#N)cc1 ZINC000282655235 385362979 /nfs/dbraw/zinc/36/29/79/385362979.db2.gz MHAPLGOAAMOHFZ-CQSZACIVSA-N 0 1 298.390 2.642 20 30 CFEDMN C=CC[C@H](C)NC(=O)N1CCC[C@H](c2cc(C)[nH]n2)C1 ZINC000282899930 385407924 /nfs/dbraw/zinc/40/79/24/385407924.db2.gz XYCRRBIPOLLNRK-AAEUAGOBSA-N 0 1 276.384 2.572 20 30 CFEDMN C=C(Cl)CN[C@@H](C)[C@H](c1ccccc1)N1CCOCC1 ZINC000271967947 385413359 /nfs/dbraw/zinc/41/33/59/385413359.db2.gz WDBSKQMZHCSQIH-GOEBONIOSA-N 0 1 294.826 2.791 20 30 CFEDMN C=CCNC(=O)CN[C@H](C)c1cc(Cl)cc(Cl)c1 ZINC000271978777 385416743 /nfs/dbraw/zinc/41/67/43/385416743.db2.gz GYDRAYSOJXWIGZ-SECBINFHSA-N 0 1 287.190 2.946 20 30 CFEDMN C=CCNC(=O)CN[C@@H](C)c1cc(Cl)cc(Cl)c1 ZINC000271978780 385417670 /nfs/dbraw/zinc/41/76/70/385417670.db2.gz GYDRAYSOJXWIGZ-VIFPVBQESA-N 0 1 287.190 2.946 20 30 CFEDMN Cc1cc([C@H]2CCCN(C(=O)c3cc(C#N)oc3C)C2)n[nH]1 ZINC000283442161 385467019 /nfs/dbraw/zinc/46/70/19/385467019.db2.gz WDZPJIAOPIRMOC-LBPRGKRZSA-N 0 1 298.346 2.511 20 30 CFEDMN CCC[C@]1(CO)CCN(Cc2ccc(F)c(C#N)c2)C1 ZINC000288912042 197191076 /nfs/dbraw/zinc/19/10/76/197191076.db2.gz UESSMVMBUQPHGH-INIZCTEOSA-N 0 1 276.355 2.682 20 30 CFEDMN CCC[C@@]1(CO)CCN(Cc2ccc(F)c(C#N)c2)C1 ZINC000288912044 197190597 /nfs/dbraw/zinc/19/05/97/197190597.db2.gz UESSMVMBUQPHGH-MRXNPFEDSA-N 0 1 276.355 2.682 20 30 CFEDMN C=CC[N@H+](CCc1ccco1)Cc1cnn(C)c1C ZINC000272212826 385476027 /nfs/dbraw/zinc/47/60/27/385476027.db2.gz ARBBXMAEDUTQBD-UHFFFAOYSA-N 0 1 259.353 2.552 20 30 CFEDMN C=CCN(CCc1ccco1)Cc1cnn(C)c1C ZINC000272212826 385476031 /nfs/dbraw/zinc/47/60/31/385476031.db2.gz ARBBXMAEDUTQBD-UHFFFAOYSA-N 0 1 259.353 2.552 20 30 CFEDMN C#CCN(CCc1cscn1)Cc1ccc(F)cc1 ZINC000283968982 385519241 /nfs/dbraw/zinc/51/92/41/385519241.db2.gz IJWDMRCAFBQJDG-UHFFFAOYSA-N 0 1 274.364 2.960 20 30 CFEDMN C=CCOCCN[C@@H](C)c1cc(OC)c(OC)cc1F ZINC000272581135 385568004 /nfs/dbraw/zinc/56/80/04/385568004.db2.gz QLCREQTUZJEWSD-NSHDSACASA-N 0 1 283.343 2.696 20 30 CFEDMN C=C(C)CN(Cc1ccc(CO)o1)C[C@@H]1CC(C)(C)CO1 ZINC000639641142 385627691 /nfs/dbraw/zinc/62/76/91/385627691.db2.gz HTWOQETXRSRBOS-INIZCTEOSA-N 0 1 293.407 2.965 20 30 CFEDMN C=CCS(=O)(=O)CCNCc1ccc(C(C)C)cc1 ZINC000272840025 385629764 /nfs/dbraw/zinc/62/97/64/385629764.db2.gz MSEUUCNFHCJPKT-UHFFFAOYSA-N 0 1 281.421 2.500 20 30 CFEDMN C=CCS(=O)(=O)CCN[C@@H](C)c1cc(C)sc1C ZINC000272846826 385631047 /nfs/dbraw/zinc/63/10/47/385631047.db2.gz KJEATSPGGMOOGZ-NSHDSACASA-N 0 1 287.450 2.616 20 30 CFEDMN Cc1nnc([C@H](C)NCCCC(C)(C)C#N)s1 ZINC000273634753 385692831 /nfs/dbraw/zinc/69/28/31/385692831.db2.gz SSNGYTAVTCFEDJ-VIFPVBQESA-N 0 1 252.387 2.827 20 30 CFEDMN C=CC[C@H]1CCCN(CC(=O)Nc2ccnn2CCC)C1 ZINC000639798990 385716257 /nfs/dbraw/zinc/71/62/57/385716257.db2.gz UEHNYPLEOQBAFN-AWEZNQCLSA-N 0 1 290.411 2.520 20 30 CFEDMN C=CCC[C@H](C(=O)N1CCCN(C)CC1)c1ccccc1 ZINC000275118111 385939087 /nfs/dbraw/zinc/93/90/87/385939087.db2.gz OPTOFJFFNOPVCU-KRWDZBQOSA-N 0 1 286.419 2.901 20 30 CFEDMN C=CC[C@@H](C(=O)N1CCCN(C)CC1)c1ccccc1 ZINC000275137340 385942575 /nfs/dbraw/zinc/94/25/75/385942575.db2.gz TZQHEMWNVUGODE-MRXNPFEDSA-N 0 1 272.392 2.510 20 30 CFEDMN CCC#C[C@H](C)N1CCC([C@@](C)(O)C(F)(F)F)CC1 ZINC000681034742 542402553 /nfs/dbraw/zinc/40/25/53/542402553.db2.gz KVQLJCCRLVKEKG-WCQYABFASA-N 0 1 277.330 2.814 20 30 CFEDMN C[C@H]1Oc2ccccc2[C@@H]1NCc1cc(C#N)n(C)c1 ZINC000288412284 197072092 /nfs/dbraw/zinc/07/20/92/197072092.db2.gz APOXLPRGRCRBDI-BDJLRTHQSA-N 0 1 267.332 2.509 20 30 CFEDMN C#CCCCCC(=O)N1CC(N(C)Cc2ccccc2)C1 ZINC000288331458 197052829 /nfs/dbraw/zinc/05/28/29/197052829.db2.gz JMQPBSREWFSOKL-UHFFFAOYSA-N 0 1 284.403 2.523 20 30 CFEDMN COCC#CCNC(C)(C)c1cccc(Cl)c1F ZINC000681168388 542421061 /nfs/dbraw/zinc/42/10/61/542421061.db2.gz DQDHUYWZGUEMDG-UHFFFAOYSA-N 0 1 269.747 2.954 20 30 CFEDMN C=CC[C@H](CC)NCc1csc(N(CC)C(C)=O)n1 ZINC000281222285 195155257 /nfs/dbraw/zinc/15/52/57/195155257.db2.gz DEPYPQCXSOPMCF-LBPRGKRZSA-N 0 1 281.425 2.960 20 30 CFEDMN C=CCCCCCN(C)C(=O)[C@@H](N)c1ccccc1 ZINC000160924520 262304702 /nfs/dbraw/zinc/30/47/02/262304702.db2.gz XFPGCNFANXNGJD-HNNXBMFYSA-N 0 1 260.381 2.891 20 30 CFEDMN CC#CCCCC(=O)N1CCC[C@H](c2cc(C)[nH]n2)C1 ZINC000282980327 195761034 /nfs/dbraw/zinc/76/10/34/195761034.db2.gz VYYLIBLSJZUWJR-AWEZNQCLSA-N 0 1 273.380 2.618 20 30 CFEDMN CC(=Cc1ccc(F)c(C#N)c1)c1nc(C)c(C#N)c(=O)[nH]1 ZINC000435340505 533380559 /nfs/dbraw/zinc/38/05/59/533380559.db2.gz IXLMMMYRFGLAAQ-UITAMQMPSA-N 0 1 294.289 2.521 20 30 CFEDMN Cc1[nH]c2ccccc2c1C(=O)C(C#N)c1ccncn1 ZINC000354462165 533626361 /nfs/dbraw/zinc/62/63/61/533626361.db2.gz HIFGBFABKNBZDW-LBPRGKRZSA-N 0 1 276.299 2.756 20 30 CFEDMN Cc1ccc(C(C)(C)NC(=O)[C@@H]2CCc3[nH]nnc3C2)cn1 ZINC000329088076 533621516 /nfs/dbraw/zinc/62/15/16/533621516.db2.gz HTBVJHDITSHUNV-LLVKDONJSA-N 0 1 299.378 2.505 20 30 CFEDMN Cc1ccc(C(C)(C)NC(=O)[C@@H]2CCc3nn[nH]c3C2)cn1 ZINC000329088076 533621519 /nfs/dbraw/zinc/62/15/19/533621519.db2.gz HTBVJHDITSHUNV-LLVKDONJSA-N 0 1 299.378 2.505 20 30 CFEDMN CCC(CC)[C@H](C)C(=O)N=c1[nH]n(C(C)C)cc1C#N ZINC000341810444 130071913 /nfs/dbraw/zinc/07/19/13/130071913.db2.gz OEUKAVSBNUOXMO-NSHDSACASA-N 0 1 276.384 2.768 20 30 CFEDMN Cc1nccc(NCCc2cccc(C#N)c2)c1Cl ZINC000359929072 130564183 /nfs/dbraw/zinc/56/41/83/130564183.db2.gz CXLGOUHODCEDEA-UHFFFAOYSA-N 0 1 271.751 2.992 20 30 CFEDMN C[C@H](C(=O)Nc1ccccc1C#N)N1CC[C@@H](C)[C@H](C)C1 ZINC000245847798 131090201 /nfs/dbraw/zinc/09/02/01/131090201.db2.gz CMCSPDDLHISCLD-MGPQQGTHSA-N 0 1 285.391 2.863 20 30 CFEDMN C=CC[C@@H]1N(C(=O)N[C@@H]2CCCN(C)C2)CCCC1(C)C ZINC000683542130 542695872 /nfs/dbraw/zinc/69/58/72/542695872.db2.gz CZWGQLGMKKJWHR-CABCVRRESA-N 0 1 293.455 2.857 20 30 CFEDMN CCN1CCCC[C@H]1C(=O)N[C@H](C)c1ccc(C#N)cc1 ZINC000264294296 131427346 /nfs/dbraw/zinc/42/73/46/131427346.db2.gz QIEDFXFUVRMZAP-CJNGLKHVSA-N 0 1 285.391 2.610 20 30 CFEDMN C=CCOc1ccc(CN[C@H](C)c2cnn(C)c2)cc1 ZINC000266134919 131689284 /nfs/dbraw/zinc/68/92/84/131689284.db2.gz FIASCCSUXJJHSI-CYBMUJFWSA-N 0 1 271.364 2.836 20 30 CFEDMN C#CCCOc1ccc(CN[C@H]2CCCc3c[nH]nc32)cc1 ZINC000268852212 132077819 /nfs/dbraw/zinc/07/78/19/132077819.db2.gz PWBQMQCCANSFJR-KRWDZBQOSA-N 0 1 295.386 2.979 20 30 CFEDMN C=CCOc1ccccc1C(=O)N[C@H]1CCCc2cn[nH]c21 ZINC000268931283 132089631 /nfs/dbraw/zinc/08/96/31/132089631.db2.gz FHSYNOGIWIRXSB-AWEZNQCLSA-N 0 1 297.358 2.782 20 30 CFEDMN N#CC(C(=O)c1coc(C2CC2)n1)c1nc2ccccc2[nH]1 ZINC000683901837 542741874 /nfs/dbraw/zinc/74/18/74/542741874.db2.gz GOYCIWPGSNQYIO-SNVBAGLBSA-N 0 1 292.298 2.918 20 30 CFEDMN CCN(CC(=O)N[C@@H](C#N)c1ccccc1Cl)C1CC1 ZINC000179172153 393455298 /nfs/dbraw/zinc/45/52/98/393455298.db2.gz UOXRZCNTQZBMRP-AWEZNQCLSA-N 0 1 291.782 2.505 20 30 CFEDMN CCOC1CCN(Cc2ccc(C#N)s2)CC1 ZINC000179500879 393468120 /nfs/dbraw/zinc/46/81/20/393468120.db2.gz YRWVEQVXPRVLHK-UHFFFAOYSA-N 0 1 250.367 2.621 20 30 CFEDMN CCN(CC)C(=O)[C@H]1CCCN1Cc1ccc(C#N)cc1C ZINC000186182879 393540187 /nfs/dbraw/zinc/54/01/87/393540187.db2.gz RHTMRKZAMXOTOA-QGZVFWFLSA-N 0 1 299.418 2.700 20 30 CFEDMN C[C@@H]1OCC[C@]1(C)NC(=O)Cc1[nH]nc2ccccc21 ZINC000329515087 393540192 /nfs/dbraw/zinc/54/01/92/393540192.db2.gz OKIJARBYMGHEHJ-BONVTDFDSA-N 0 1 273.336 2.629 20 30 CFEDMN N#Cc1ccc(CN2CCCO[C@H]3CCC[C@H]32)s1 ZINC000374255308 393489206 /nfs/dbraw/zinc/48/92/06/393489206.db2.gz QDGBDMVITWAAKO-KGLIPLIRSA-N 0 1 262.378 2.763 20 30 CFEDMN C[C@H](NCC(=O)NCC#N)c1ccc(-c2ccccc2)cc1 ZINC000181426251 393495399 /nfs/dbraw/zinc/49/53/99/393495399.db2.gz YSGFDVXCYAYBIX-AWEZNQCLSA-N 0 1 293.370 2.644 20 30 CFEDMN C#Cc1cccc(NC(=O)N2CCCC[C@H]2c2nnc[nH]2)c1 ZINC000183066164 393517482 /nfs/dbraw/zinc/51/74/82/393517482.db2.gz HWXZQGDMJJDDAO-AWEZNQCLSA-N 0 1 295.346 2.545 20 30 CFEDMN O=C(CCc1cnc[nH]1)NCC(=O)NC1CCCCC1 ZINC000329426674 393533477 /nfs/dbraw/zinc/53/34/77/393533477.db2.gz IXRKDCNLASSMEL-UHFFFAOYSA-N 0 1 278.356 2.588 20 30 CFEDMN CC(C)[C@H]1C[C@H](CC(=O)N[C@@H](C)c2nnc[nH]2)CCO1 ZINC000329438693 393534553 /nfs/dbraw/zinc/53/45/53/393534553.db2.gz JNURSZOHFLXIDZ-QJPTWQEYSA-N 0 1 280.372 2.664 20 30 CFEDMN C[C@@H]1CC[C@H](C)N1CC(=O)Nc1cccc2c1OCO2 ZINC000329465907 393536058 /nfs/dbraw/zinc/53/60/58/393536058.db2.gz RPXYOGYNUGAJFF-PHIMTYICSA-N 0 1 276.336 2.876 20 30 CFEDMN Cc1csc(C(C#N)C(=O)c2cccc(F)c2C#N)n1 ZINC000188646737 393565873 /nfs/dbraw/zinc/56/58/73/393565873.db2.gz MMNJJXDXAPVRIX-NSHDSACASA-N 0 1 285.303 2.952 20 30 CFEDMN C=CCN(CCOC)Cc1c[nH]nc1-c1ccccc1 ZINC000191758869 393605812 /nfs/dbraw/zinc/60/58/12/393605812.db2.gz UUPDNQCRIAQAQP-UHFFFAOYSA-N 0 1 271.364 2.711 20 30 CFEDMN N#Cc1ccc(F)c(CN2CCC[C@H](c3cc[nH]n3)C2)c1 ZINC000193860027 393665963 /nfs/dbraw/zinc/66/59/63/393665963.db2.gz KRVPXTGKIVYNNU-ZDUSSCGKSA-N 0 1 284.338 2.800 20 30 CFEDMN N#Cc1ccc(F)c(CN2CCC[C@@H](c3cc[nH]n3)C2)c1 ZINC000193860037 393666685 /nfs/dbraw/zinc/66/66/85/393666685.db2.gz KRVPXTGKIVYNNU-CYBMUJFWSA-N 0 1 284.338 2.800 20 30 CFEDMN C=C(C)CN(Cc1ccc(CO)o1)[C@H](C)CCC#N ZINC000411714905 393741292 /nfs/dbraw/zinc/74/12/92/393741292.db2.gz AGAWEHRRTVXYPW-CYBMUJFWSA-N 0 1 262.353 2.842 20 30 CFEDMN CC(C)[C@H](NCCC1(C#N)CCCCC1)c1nncn1C ZINC000411721939 393742373 /nfs/dbraw/zinc/74/23/73/393742373.db2.gz PSMPVEYEBRMHCJ-AWEZNQCLSA-N 0 1 289.427 2.966 20 30 CFEDMN C[C@H]1[C@@H](CO)CCCN1CC#Cc1cccc(Cl)c1 ZINC000412098230 393762063 /nfs/dbraw/zinc/76/20/63/393762063.db2.gz VPCBJYRQECECAG-DZGCQCFKSA-N 0 1 277.795 2.784 20 30 CFEDMN COC(=O)c1cccc2c1CCN([C@@H](C)CCC#N)C2 ZINC000411821383 393752121 /nfs/dbraw/zinc/75/21/21/393752121.db2.gz TZNRIPFAACNILR-LBPRGKRZSA-N 0 1 272.348 2.524 20 30 CFEDMN O[C@H]1C[C@H](c2ccccc2)N(CC#Cc2ccc(F)cc2)C1 ZINC000411951102 393758391 /nfs/dbraw/zinc/75/83/91/393758391.db2.gz RPJGZCOMLYIDJG-RBUKOAKNSA-N 0 1 295.357 2.985 20 30 CFEDMN CCN1C(=O)N=NC1SCCC1(C#N)CCCCC1 ZINC000412981752 393777489 /nfs/dbraw/zinc/77/74/89/393777489.db2.gz GSCKYBWEILMTCG-UHFFFAOYSA-N 0 1 280.397 2.960 20 30 CFEDMN C=CC[C@H](Cc1ccccc1)NC(=O)C(C)(C)c1cnc[nH]1 ZINC000413984809 393793677 /nfs/dbraw/zinc/79/36/77/393793677.db2.gz IVRYGSFRHLVVMW-OAHLLOKOSA-N 0 1 297.402 2.991 20 30 CFEDMN C[C@@H]1[C@H](C)SCCN1Cc1cc(C#N)cs1 ZINC000093501569 393799959 /nfs/dbraw/zinc/79/99/59/393799959.db2.gz KJZUAMCYWCKJSI-ZJUUUORDSA-N 0 1 252.408 2.946 20 30 CFEDMN CC1(C)CN(Cc2cc(C#N)cs2)CCS1 ZINC000093504681 393800584 /nfs/dbraw/zinc/80/05/84/393800584.db2.gz NFOGKMVVLQAAFN-UHFFFAOYSA-N 0 1 252.408 2.947 20 30 CFEDMN C[C@H]1SCCN(Cc2cc(C#N)cs2)[C@H]1C ZINC000093501583 393800621 /nfs/dbraw/zinc/80/06/21/393800621.db2.gz KJZUAMCYWCKJSI-VHSXEESVSA-N 0 1 252.408 2.946 20 30 CFEDMN CCO[C@H]1C[C@H](N(C)Cc2ccc(C#N)o2)C1(C)C ZINC000093605218 393802355 /nfs/dbraw/zinc/80/23/55/393802355.db2.gz ILDMTDZFOZKQBI-KBPBESRZSA-N 0 1 262.353 2.787 20 30 CFEDMN N#Cc1ccc(OCc2nc(C3(N)CCCCC3)no2)cc1 ZINC000424351195 393838590 /nfs/dbraw/zinc/83/85/90/393838590.db2.gz YKPNRLAWHFFORP-UHFFFAOYSA-N 0 1 298.346 2.638 20 30 CFEDMN C=CCNC(=O)CNC1(c2cccc(C(F)(F)F)c2)CC1 ZINC000343003189 393877880 /nfs/dbraw/zinc/87/78/80/393877880.db2.gz LROAEWHMHILZOT-UHFFFAOYSA-N 0 1 298.308 2.586 20 30 CFEDMN C=CCC[C@H](C(=O)N1CC(N(C)C)C1)c1ccccc1 ZINC000427536932 393894004 /nfs/dbraw/zinc/89/40/04/393894004.db2.gz MFVFOSRAEPHNSW-INIZCTEOSA-N 0 1 272.392 2.509 20 30 CFEDMN CCC[N@H+](Cc1ccc(C#N)cc1)C[C@H](O)COC(C)C ZINC000097357103 393840469 /nfs/dbraw/zinc/84/04/69/393840469.db2.gz IIIFWKYIKGVORJ-KRWDZBQOSA-N 0 1 290.407 2.556 20 30 CFEDMN C[C@@]1(c2ccccc2)CN(CCCCC#N)CCO1 ZINC000121791396 393960660 /nfs/dbraw/zinc/96/06/60/393960660.db2.gz VEJQRXQASLKQDR-INIZCTEOSA-N 0 1 258.365 2.928 20 30 CFEDMN CC[C@H](C(=O)Nc1cccc(OCCCC#N)c1)N(C)C ZINC000124878966 393999415 /nfs/dbraw/zinc/99/94/15/393999415.db2.gz NQDJBCNIMLYEGA-OAHLLOKOSA-N 0 1 289.379 2.648 20 30 CFEDMN CC1(C)CCCN([C@H](C(N)=O)c2ccc(C#N)cc2)CC1 ZINC000127138990 394044112 /nfs/dbraw/zinc/04/41/12/394044112.db2.gz PRAVXSONQBBDCR-HNNXBMFYSA-N 0 1 285.391 2.597 20 30 CFEDMN C#CC[N@H+](CC[C@@H]1CCN(C(=O)OC(C)(C)C)C1)C1CC1 ZINC000491699904 394056758 /nfs/dbraw/zinc/05/67/58/394056758.db2.gz CWQUUEWWCKGKQI-CQSZACIVSA-N 0 1 292.423 2.731 20 30 CFEDMN COc1ccc(C#N)cc1CN[C@@H](C)c1cccnc1 ZINC000130241168 394106534 /nfs/dbraw/zinc/10/65/34/394106534.db2.gz CJCLTDZZXQUJKV-LBPRGKRZSA-N 0 1 267.332 2.813 20 30 CFEDMN C[C@@H]1CCCN(Cc2ccc(C#N)cc2Cl)[C@H]1CO ZINC000439431832 394115275 /nfs/dbraw/zinc/11/52/75/394115275.db2.gz RTYMFSYSDGFTQB-ABAIWWIYSA-N 0 1 278.783 2.804 20 30 CFEDMN C=CCOc1ccc(CNC(=O)C(C)(C)c2cnc[nH]2)cc1 ZINC000359097225 394123846 /nfs/dbraw/zinc/12/38/46/394123846.db2.gz JTHXRWLMNBHRSU-UHFFFAOYSA-N 0 1 299.374 2.569 20 30 CFEDMN N#Cc1c(F)cccc1CN1CCC[C@@H](CCO)CC1 ZINC000421021413 394160812 /nfs/dbraw/zinc/16/08/12/394160812.db2.gz SOSIPKKUKRDSJS-CYBMUJFWSA-N 0 1 276.355 2.682 20 30 CFEDMN C=C(C)CN(CC)C(=O)[C@@H](C)N[C@@H](C)c1cncc(F)c1 ZINC000361130226 394166822 /nfs/dbraw/zinc/16/68/22/394166822.db2.gz FWTKAHLOJMWLLK-QWHCGFSZSA-N 0 1 293.386 2.684 20 30 CFEDMN Cc1cccc(OCCNCc2ccc(C#N)o2)c1 ZINC000135131261 394210968 /nfs/dbraw/zinc/21/09/68/394210968.db2.gz PEUJQYAKLYAEFE-UHFFFAOYSA-N 0 1 256.305 2.628 20 30 CFEDMN Cc1cnn([C@H]2CCN(CC#Cc3ccc(F)cc3)C2)c1 ZINC000289756360 394221875 /nfs/dbraw/zinc/22/18/75/394221875.db2.gz FRCQULNYKXARLP-KRWDZBQOSA-N 0 1 283.350 2.629 20 30 CFEDMN Cc1cccc(S(=O)(=O)Nc2cccc(F)c2)c1C#N ZINC000137187978 394237917 /nfs/dbraw/zinc/23/79/17/394237917.db2.gz YLCWFSJEXWPZOT-UHFFFAOYSA-N 0 1 290.319 2.807 20 30 CFEDMN N#Cc1ccc(C=CC(=O)Nc2nc(C3CCC3)n[nH]2)cc1 ZINC000493528746 394270135 /nfs/dbraw/zinc/27/01/35/394270135.db2.gz TZZWYKQPUJXRSH-HJWRWDBZSA-N 0 1 293.330 2.596 20 30 CFEDMN N#Cc1ccc(C=CC(=O)Nc2n[nH]c(C3CCC3)n2)cc1 ZINC000493528746 394270139 /nfs/dbraw/zinc/27/01/39/394270139.db2.gz TZZWYKQPUJXRSH-HJWRWDBZSA-N 0 1 293.330 2.596 20 30 CFEDMN Cc1cccc2nc(CNC(=O)c3cccc(C#N)c3)[nH]c21 ZINC000155023634 394307404 /nfs/dbraw/zinc/30/74/04/394307404.db2.gz KIEPMFKLXSAEHY-UHFFFAOYSA-N 0 1 290.326 2.673 20 30 CFEDMN C=CCNC(=O)CN1C[C@H]2CCCC[C@@]21c1ccccc1 ZINC000163674780 394369160 /nfs/dbraw/zinc/36/91/60/394369160.db2.gz PSEAQEMHEMCZFF-SJLPKXTDSA-N 0 1 284.403 2.690 20 30 CFEDMN CN(Cc1ccc(C#N)cc1Cl)CC(C)(C)CO ZINC000451257334 394371299 /nfs/dbraw/zinc/37/12/99/394371299.db2.gz VHRPYJFIOGYCQB-UHFFFAOYSA-N 0 1 266.772 2.662 20 30 CFEDMN COC(=O)c1cc2cc(CN3CCC(C#N)CC3)ccc2o1 ZINC000172766912 394373757 /nfs/dbraw/zinc/37/37/57/394373757.db2.gz FTTJCAPVXHFIIY-UHFFFAOYSA-N 0 1 298.342 2.955 20 30 CFEDMN COc1cccc([C@@H](CNCc2ccc(C#N)o2)OC)c1 ZINC000527734385 394401974 /nfs/dbraw/zinc/40/19/74/394401974.db2.gz GIGUROJHWDAYRO-MRXNPFEDSA-N 0 1 286.331 2.637 20 30 CFEDMN Cc1nsc(NC[C@H]2CCN2C2CCCC2)c1C#N ZINC000528213514 394403397 /nfs/dbraw/zinc/40/33/97/394403397.db2.gz ZHDYKNUSQCUROX-GFCCVEGCSA-N 0 1 276.409 2.752 20 30 CFEDMN C=CCN(CC1CCCCC1)C(=O)CCc1cnc[nH]1 ZINC000280501559 542907453 /nfs/dbraw/zinc/90/74/53/542907453.db2.gz LATAJFMWHKYMNT-UHFFFAOYSA-N 0 1 275.396 2.937 20 30 CFEDMN CC[C@@H]1C[C@H](C)CN1Cc1cccc(C(=O)OC)c1C#N ZINC000535963232 394550416 /nfs/dbraw/zinc/55/04/16/394550416.db2.gz LKGGLYSOIGKMOW-GXTWGEPZSA-N 0 1 286.375 2.965 20 30 CFEDMN COC(=O)c1cccc(CN2CCCC[C@@H](C)C2)c1C#N ZINC000548163863 394916165 /nfs/dbraw/zinc/91/61/65/394916165.db2.gz RQASHLJSDVSFCG-CYBMUJFWSA-N 0 1 286.375 2.967 20 30 CFEDMN C=C(C)[C@@H](CO)N(C)Cc1cc(Br)cs1 ZINC000649246788 395460411 /nfs/dbraw/zinc/46/04/11/395460411.db2.gz RYFLRVDSNYTDPY-LLVKDONJSA-N 0 1 290.226 2.879 20 30 CFEDMN C=CCNC(=O)CN1CCCC[C@@H]1Cc1ccccc1F ZINC000649795217 395571366 /nfs/dbraw/zinc/57/13/66/395571366.db2.gz GWZVFKWXEULOTP-OAHLLOKOSA-N 0 1 290.382 2.525 20 30 CFEDMN C=CCCC[C@H](C)NC(=O)c1[nH]nc2c1CCCC2 ZINC000182643396 543031840 /nfs/dbraw/zinc/03/18/40/543031840.db2.gz BMLBYCNMAQBODF-NSHDSACASA-N 0 1 261.369 2.763 20 30 CFEDMN C#CCN(Cc1ccc(C(=O)OCC)cn1)C1CCCC1 ZINC000491371948 397580585 /nfs/dbraw/zinc/58/05/85/397580585.db2.gz HCKCZYFKNZBFMM-UHFFFAOYSA-N 0 1 286.375 2.636 20 30 CFEDMN N#CCCN(CCC(=O)Nc1ccccc1C#N)CC1CC1 ZINC000081043650 397591274 /nfs/dbraw/zinc/59/12/74/397591274.db2.gz HUAZXXNCCPKTNH-UHFFFAOYSA-N 0 1 296.374 2.513 20 30 CFEDMN C=CCCC[N@@H+]1CC[C@H](C(=O)[O-])[C@@H]2CCCC[C@@H]21 ZINC000656766441 413197515 /nfs/dbraw/zinc/19/75/15/413197515.db2.gz RVJHKUVFIGVTGG-IHRRRGAJSA-N 0 1 251.370 2.918 20 30 CFEDMN CCC(CC)CN1CCN(c2snc(C)c2C#N)CC1 ZINC000356276366 155207705 /nfs/dbraw/zinc/20/77/05/155207705.db2.gz GINCBQMMVGCGKI-UHFFFAOYSA-N 0 1 292.452 2.881 20 30 CFEDMN C[C@@H](N[C@@H]1CCCN(c2ccccc2C#N)C1)c1ncc[nH]1 ZINC000367533421 156345807 /nfs/dbraw/zinc/34/58/07/156345807.db2.gz KRTIYDNEMCBEFK-UKRRQHHQSA-N 0 1 295.390 2.601 20 30 CFEDMN N#Cc1cc(CN2CCCO[C@H]3CCC[C@@H]32)ccc1F ZINC000374547164 157127910 /nfs/dbraw/zinc/12/79/10/157127910.db2.gz DMJUEVMGDPMZMP-HOTGVXAUSA-N 0 1 274.339 2.841 20 30 CFEDMN N#Cc1cccc(CN2CC[C@H](O)c3ccccc3C2)c1 ZINC000375824245 157291275 /nfs/dbraw/zinc/29/12/75/157291275.db2.gz MTNSDHRGOQDTIV-SFHVURJKSA-N 0 1 278.355 2.998 20 30 CFEDMN C=CCCn1cc(CN2CC[C@@H](c3ccccc3)C2)nn1 ZINC000653525153 413351888 /nfs/dbraw/zinc/35/18/88/413351888.db2.gz COXPZXMECAEVCR-MRXNPFEDSA-N 0 1 282.391 2.844 20 30 CFEDMN C=C(C)CN(Cc1cnn(C(C)C)c1)C[C@H](COC)OC ZINC000660537119 413378945 /nfs/dbraw/zinc/37/89/45/413378945.db2.gz AGBYXPYZJZBBGO-MRXNPFEDSA-N 0 1 295.427 2.504 20 30 CFEDMN C=CCCn1cc(CN2C[C@H](C)C[C@H](C)[C@@H]2C)nn1 ZINC000653637302 413418026 /nfs/dbraw/zinc/41/80/26/413418026.db2.gz AQKBEALHANMNQE-RDBSUJKOSA-N 0 1 262.401 2.721 20 30 CFEDMN C=CCCn1cc(CN[C@@H]2C[C@H](OC)C2(CC)CC)nn1 ZINC000653642572 413422813 /nfs/dbraw/zinc/42/28/13/413422813.db2.gz KJKNLGYWELLSNT-CABCVRRESA-N 0 1 292.427 2.538 20 30 CFEDMN C[C@H](N[C@@H](CO)CC(F)(F)F)c1cccc(C#N)c1 ZINC000344302015 162003846 /nfs/dbraw/zinc/00/38/46/162003846.db2.gz VLFRSAIQWDTZHT-JOYOIKCWSA-N 0 1 272.270 2.522 20 30 CFEDMN CN(Cc1ccc(F)c(C#N)c1)[C@H](CO)c1ccccc1 ZINC000345035004 162167135 /nfs/dbraw/zinc/16/71/35/162167135.db2.gz KJSFVQOOLHGXCY-QGZVFWFLSA-N 0 1 284.334 2.863 20 30 CFEDMN COc1cc(CN[C@@H](C)c2ccc(C#N)c(F)c2)ccn1 ZINC000346205807 162352494 /nfs/dbraw/zinc/35/24/94/162352494.db2.gz VQYFJKKKXWHDQH-NSHDSACASA-N 0 1 285.322 2.952 20 30 CFEDMN C=CCCn1cc(CN(CC)CC(C)(C)C)nn1 ZINC000653693259 413451201 /nfs/dbraw/zinc/45/12/01/413451201.db2.gz WHIVXXFJIUYUAY-UHFFFAOYSA-N 0 1 250.390 2.722 20 30 CFEDMN C=CCCn1cc(CN2CC(C)(C)[C@H]3CCC[C@H]32)nn1 ZINC000653705784 413455930 /nfs/dbraw/zinc/45/59/30/413455930.db2.gz ISONMCHTDWMWAO-LSDHHAIUSA-N 0 1 274.412 2.865 20 30 CFEDMN CC(C)(CNCc1nc(C#N)cs1)Oc1ccccc1 ZINC000352794770 163237103 /nfs/dbraw/zinc/23/71/03/163237103.db2.gz HWPQIZJVFSBINQ-UHFFFAOYSA-N 0 1 287.388 2.962 20 30 CFEDMN Cc1noc(C)c1[C@@H](C)CNCc1nc(C#N)cs1 ZINC000352810849 163239736 /nfs/dbraw/zinc/23/97/36/163239736.db2.gz OSOHNNLRJIGRPY-QMMMGPOBSA-N 0 1 276.365 2.513 20 30 CFEDMN N#Cc1csc(CNCCCNc2ccccc2)n1 ZINC000352849637 163250897 /nfs/dbraw/zinc/25/08/97/163250897.db2.gz XNYHDYGRLHUXEF-UHFFFAOYSA-N 0 1 272.377 2.607 20 30 CFEDMN N#Cc1csc(CN[C@@H]2CCCC[C@@H]2OC(F)F)n1 ZINC000352864218 163254878 /nfs/dbraw/zinc/25/48/78/163254878.db2.gz ZDXLNKJZIBZOKC-ZJUUUORDSA-N 0 1 287.335 2.655 20 30 CFEDMN N#Cc1ccc(CN2CC[C@@H](COC(F)F)C2)cc1F ZINC000353029202 163290640 /nfs/dbraw/zinc/29/06/40/163290640.db2.gz PLQANTUGAXSMTM-LLVKDONJSA-N 0 1 284.281 2.758 20 30 CFEDMN N#Cc1ccc(CNCc2cnn3ccccc23)s1 ZINC000353033341 163293226 /nfs/dbraw/zinc/29/32/26/163293226.db2.gz JAYKGOFRDZVLIL-UHFFFAOYSA-N 0 1 268.345 2.557 20 30 CFEDMN N#Cc1ccc2c(c1)[C@@H](N[C@@H](CO)c1ccccc1)CC2 ZINC000353258641 163330437 /nfs/dbraw/zinc/33/04/37/163330437.db2.gz RIDMDRATRBJQKA-ROUUACIJSA-N 0 1 278.355 2.869 20 30 CFEDMN CCc1nc([C@H](C)N[C@H]2CCc3ccc(C#N)cc32)n[nH]1 ZINC000353271068 163334752 /nfs/dbraw/zinc/33/47/52/163334752.db2.gz XWSNIGHHBNUKEY-HZMBPMFUSA-N 0 1 281.363 2.577 20 30 CFEDMN Cc1n[nH]c(C(F)F)c1NC(=O)Cc1ccc(C#N)cc1 ZINC000353561426 163394634 /nfs/dbraw/zinc/39/46/34/163394634.db2.gz KDPUTWKVPZVRRB-UHFFFAOYSA-N 0 1 290.273 2.709 20 30 CFEDMN COc1ccc(Cl)cc1-c1n[nH]c(SCC#N)n1 ZINC000006464097 170202872 /nfs/dbraw/zinc/20/28/72/170202872.db2.gz KCPPNTAFJVRRCQ-UHFFFAOYSA-N 0 1 280.740 2.749 20 30 CFEDMN CCc1nnc(SCc2cc(C#N)ccc2F)[nH]1 ZINC000022543391 171390814 /nfs/dbraw/zinc/39/08/14/171390814.db2.gz JAJXMXVXHIOKSW-UHFFFAOYSA-N 0 1 262.313 2.670 20 30 CFEDMN CCc1n[nH]c(SCc2cc(C#N)ccc2F)n1 ZINC000022543391 171390816 /nfs/dbraw/zinc/39/08/16/171390816.db2.gz JAJXMXVXHIOKSW-UHFFFAOYSA-N 0 1 262.313 2.670 20 30 CFEDMN Cc1nn(C)c(C)c1CN[C@H](C)c1ccc(C#N)cc1 ZINC000035256410 172086933 /nfs/dbraw/zinc/08/69/33/172086933.db2.gz ZEKFULQNWBHQNI-LLVKDONJSA-N 0 1 268.364 2.759 20 30 CFEDMN C=CCOc1ccc(CNCc2cnn3c2CCC3)cc1 ZINC000657461767 413635929 /nfs/dbraw/zinc/63/59/29/413635929.db2.gz ZTUSBBJAEZTQRE-UHFFFAOYSA-N 0 1 283.375 2.684 20 30 CFEDMN C=CC[C@@H]1CC[C@@H](NCc2nn(C)cc2Cl)C1 ZINC000651822166 413665922 /nfs/dbraw/zinc/66/59/22/413665922.db2.gz NAJIKMWFGODSPP-GHMZBOCLSA-N 0 1 253.777 2.908 20 30 CFEDMN C=CC[C@@H]1CCCC[C@@H]1NCc1nnn(C(C)(C)C)n1 ZINC000657530507 413713828 /nfs/dbraw/zinc/71/38/28/413713828.db2.gz QKFUHDVHMYFGEF-OLZOCXBDSA-N 0 1 277.416 2.653 20 30 CFEDMN C=CCN(CC#Cc1ccc(F)cc1)[C@H](C)COC ZINC000661241565 413842770 /nfs/dbraw/zinc/84/27/70/413842770.db2.gz BDBUNRLTALQKTF-CQSZACIVSA-N 0 1 261.340 2.700 20 30 CFEDMN C=CCN(Cc1cnn(-c2ccccc2)c1)[C@H](C)COC ZINC000661244147 413846433 /nfs/dbraw/zinc/84/64/33/413846433.db2.gz QKTUUXUAWVPTTK-OAHLLOKOSA-N 0 1 285.391 2.895 20 30 CFEDMN C=CC[C@H]1CCCN(CC(=O)NCc2cccs2)C1 ZINC000661377520 413935678 /nfs/dbraw/zinc/93/56/78/413935678.db2.gz OREZKANZTHNRBO-ZDUSSCGKSA-N 0 1 278.421 2.652 20 30 CFEDMN C=CC[C@H]1CCCN(Cc2nnc(C)n2C2CC2)C1 ZINC000661379207 413937578 /nfs/dbraw/zinc/93/75/78/413937578.db2.gz AEWYCCWIFYCOLE-ZDUSSCGKSA-N 0 1 260.385 2.710 20 30 CFEDMN C=C(C)C[N@@H+](C)CCOc1ccc(C(=O)[O-])cc1Cl ZINC000652430657 413941685 /nfs/dbraw/zinc/94/16/85/413941685.db2.gz SZPYUWQQRGZZGO-UHFFFAOYSA-N 0 1 283.755 2.925 20 30 CFEDMN C=CC[C@@H]1CCCN(Cc2n[nH]c(C(C)(C)C)n2)C1 ZINC000661384887 413942402 /nfs/dbraw/zinc/94/24/02/413942402.db2.gz LDERGATYHLJQOY-GFCCVEGCSA-N 0 1 262.401 2.890 20 30 CFEDMN C=C(C)C[N@H+](C)[C@@H](C(=O)[O-])c1cccc(Cl)c1 ZINC000652430644 413943179 /nfs/dbraw/zinc/94/31/79/413943179.db2.gz SMWNKUXIABMHAS-GFCCVEGCSA-N 0 1 253.729 2.974 20 30 CFEDMN C=C(C)COc1cccc(NC(=O)C[N@@H+]2CC[C@@H](C)C2)c1 ZINC000654700138 413966227 /nfs/dbraw/zinc/96/62/27/413966227.db2.gz HIHAZXPPPSOSHC-CQSZACIVSA-N 0 1 288.391 2.922 20 30 CFEDMN C=C(C)COc1cccc(NC(=O)CN2CC[C@@H](C)C2)c1 ZINC000654700138 413966235 /nfs/dbraw/zinc/96/62/35/413966235.db2.gz HIHAZXPPPSOSHC-CQSZACIVSA-N 0 1 288.391 2.922 20 30 CFEDMN CCC#C[C@H](C)N1Cc2cnn(C)c2CC(C)(C)C1 ZINC000664879195 413991634 /nfs/dbraw/zinc/99/16/34/413991634.db2.gz ZCYZJYXWDUXQMP-ZDUSSCGKSA-N 0 1 259.397 2.606 20 30 CFEDMN C=CCCNC(=O)NC[C@H](c1ccc(Cl)cc1)N(C)C ZINC000661570572 414054122 /nfs/dbraw/zinc/05/41/22/414054122.db2.gz OYPGDEDHLUCNDN-CQSZACIVSA-N 0 1 295.814 2.818 20 30 CFEDMN CC[C@H](C)NC(=O)[C@@H](C)N[C@@H](C)c1ccc(C#N)cc1 ZINC000037502346 173239305 /nfs/dbraw/zinc/23/93/05/173239305.db2.gz SROXDDUVATXCJB-RWMBFGLXSA-N 0 1 273.380 2.512 20 30 CFEDMN C=C(C)[C@@H](N[C@H](C)Cn1cncn1)c1ccc(F)c(F)c1 ZINC000657981954 414086921 /nfs/dbraw/zinc/08/69/21/414086921.db2.gz JGJDSJJBHNCOGN-IAQYHMDHSA-N 0 1 292.333 2.852 20 30 CFEDMN C=C[C@@](C)(CC)C(=O)N1CCN(C(C)(C)CC)CC1 ZINC000655271228 414162963 /nfs/dbraw/zinc/16/29/63/414162963.db2.gz VZZNNEOTLMBYON-INIZCTEOSA-N 0 1 266.429 2.922 20 30 CFEDMN C=C1C[C@H]2CC[C@@H](C1)N2CC(=O)NCc1sccc1C ZINC000662084929 414401146 /nfs/dbraw/zinc/40/11/46/414401146.db2.gz YDYZYGBWFOCRKK-OKILXGFUSA-N 0 1 290.432 2.856 20 30 CFEDMN C=C1C[C@H]2CC[C@@H](C1)N2Cc1cn(-c2ccccc2)nn1 ZINC000662084651 414402074 /nfs/dbraw/zinc/40/20/74/414402074.db2.gz ULCLIFBJQJZXHA-CALCHBBNSA-N 0 1 280.375 2.950 20 30 CFEDMN C=CCN(Cc1ccccc1F)C[C@@H](OC)[C@H]1CCOC1 ZINC000659850846 414586342 /nfs/dbraw/zinc/58/63/42/414586342.db2.gz CJOXZWJHGOYBCK-DOTOQJQBSA-N 0 1 293.382 2.865 20 30 CFEDMN C=C(C)CC[N@H+]1C[C@H](C(=O)[O-])[C@@H](c2ccccc2)C1 ZINC000659797944 414558890 /nfs/dbraw/zinc/55/88/90/414558890.db2.gz XTJLYTJSDNXKRA-CABCVRRESA-N 0 1 259.349 2.753 20 30 CFEDMN C=CC[C@@H]1CCCC[C@@H]1NC(=O)c1coc(CN)c1 ZINC000662601413 414570988 /nfs/dbraw/zinc/57/09/88/414570988.db2.gz LIQAEOAENKBBCH-RISCZKNCSA-N 0 1 262.353 2.603 20 30 CFEDMN CN(C)[C@H](CNC(=O)c1cccc(C#N)c1)c1cccs1 ZINC000038628938 174150137 /nfs/dbraw/zinc/15/01/37/174150137.db2.gz ZGILYLCNCWXCTD-CQSZACIVSA-N 0 1 299.399 2.652 20 30 CFEDMN Cc1nsc(N2CCN(C3CCCCC3)CC2)c1C#N ZINC000286100039 196496126 /nfs/dbraw/zinc/49/61/26/196496126.db2.gz FDUPMCDMTNYRRA-UHFFFAOYSA-N 0 1 290.436 2.778 20 30 CFEDMN C=C(C)C[N@@H+](CCC(=O)[O-])Cc1ccc(F)c(F)c1 ZINC000575188033 335077868 /nfs/dbraw/zinc/07/78/68/335077868.db2.gz GVEFUDQWJGXGFU-UHFFFAOYSA-N 0 1 269.291 2.818 20 30 CFEDMN N#C[C@@H](C(=O)c1cc2cc(Cl)ccn2n1)c1ccccn1 ZINC000355096335 227392912 /nfs/dbraw/zinc/39/29/12/227392912.db2.gz JUKRTFUUGFBKCT-GFCCVEGCSA-N 0 1 296.717 2.873 20 30 CFEDMN N#CC(C(=O)c1cc2cc(Cl)ccn2n1)c1ccccn1 ZINC000355096335 227392917 /nfs/dbraw/zinc/39/29/17/227392917.db2.gz JUKRTFUUGFBKCT-GFCCVEGCSA-N 0 1 296.717 2.873 20 30 CFEDMN N#CCCN1CCC[C@@H]1c1n[nH]c(-c2ccccc2)n1 ZINC000331519909 228109156 /nfs/dbraw/zinc/10/91/56/228109156.db2.gz DXFNKZNKMYLDOL-CYBMUJFWSA-N 0 1 267.336 2.522 20 30 CFEDMN N#CCCN1CCC[C@@H]1c1nc(-c2ccccc2)n[nH]1 ZINC000331519909 228109159 /nfs/dbraw/zinc/10/91/59/228109159.db2.gz DXFNKZNKMYLDOL-CYBMUJFWSA-N 0 1 267.336 2.522 20 30 CFEDMN O=C(NC[C@@H]1CC=CCC1)c1csc(=NC2CC2)[nH]1 ZINC000330115837 228042708 /nfs/dbraw/zinc/04/27/08/228042708.db2.gz ULMOQTYXUFHXRZ-SNVBAGLBSA-N 0 1 277.393 2.800 20 30 CFEDMN C=CCCC[N@H+](C)CC(=O)Nc1ccc(OC)cc1 ZINC000117870817 260117251 /nfs/dbraw/zinc/11/72/51/260117251.db2.gz YCSMSXHWPAHWOJ-UHFFFAOYSA-N 0 1 262.353 2.532 20 30 CFEDMN C=CCCCN(C)CC(=O)Nc1ccc(OC)cc1 ZINC000117870817 260117253 /nfs/dbraw/zinc/11/72/53/260117253.db2.gz YCSMSXHWPAHWOJ-UHFFFAOYSA-N 0 1 262.353 2.532 20 30 CFEDMN N#CCN1CCC[C@H](c2nc(C3CCCCC3)n[nH]2)C1 ZINC000408134287 260277261 /nfs/dbraw/zinc/27/72/61/260277261.db2.gz STOJHCYJHFKOKR-ZDUSSCGKSA-N 0 1 273.384 2.555 20 30 CFEDMN N#CCN1CCC[C@H](c2n[nH]c(C3CCCCC3)n2)C1 ZINC000408134287 260277262 /nfs/dbraw/zinc/27/72/62/260277262.db2.gz STOJHCYJHFKOKR-ZDUSSCGKSA-N 0 1 273.384 2.555 20 30 CFEDMN CCO[C@@H]1C[C@H](N(C)Cc2ccc(C#N)cn2)C12CCC2 ZINC000517956856 260328808 /nfs/dbraw/zinc/32/88/08/260328808.db2.gz KNEGABIEBNBZKS-JKSUJKDBSA-N 0 1 285.391 2.733 20 30 CFEDMN N#CCCCNCc1ccccc1Br ZINC000042419400 260617313 /nfs/dbraw/zinc/61/73/13/260617313.db2.gz GCZUWRNDWCXYFJ-UHFFFAOYSA-N 0 1 253.143 2.842 20 30 CFEDMN Cc1ccsc1[C@@H](CO)NCC#Cc1ccccc1 ZINC000361748368 261388152 /nfs/dbraw/zinc/38/81/52/261388152.db2.gz AQPUZBUCYFPDCI-OAHLLOKOSA-N 0 1 271.385 2.731 20 30 CFEDMN CC[C@H](CC#N)NCc1cnc(-c2ccccc2)[nH]1 ZINC000184084769 262008547 /nfs/dbraw/zinc/00/85/47/262008547.db2.gz FMSIRGZSWXIOLB-CYBMUJFWSA-N 0 1 254.337 2.859 20 30 CFEDMN CCN(CCC#N)CC[C@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC000497205718 262105568 /nfs/dbraw/zinc/10/55/68/262105568.db2.gz YRXBIWQAWVXZAI-AWEZNQCLSA-N 0 1 295.427 2.869 20 30 CFEDMN C=C(Cl)CNC(=O)[C@@H]1CCc2[nH]c(C(C)C)nc2C1 ZINC000364528558 262252988 /nfs/dbraw/zinc/25/29/88/262252988.db2.gz JGFLIARVRCOMDU-SNVBAGLBSA-N 0 1 281.787 2.507 20 30 CFEDMN C=CC1CCN([C@H](C)C(=O)Nc2ccccc2)CC1 ZINC000111257336 262258083 /nfs/dbraw/zinc/25/80/83/262258083.db2.gz BMUNYCLVYISCFV-CYBMUJFWSA-N 0 1 258.365 2.912 20 30 CFEDMN C=CC1CCN(CC(=O)N(CC)c2ccccc2)CC1 ZINC000111258159 262258763 /nfs/dbraw/zinc/25/87/63/262258763.db2.gz IUBUQUVQZGUNTG-UHFFFAOYSA-N 0 1 272.392 2.938 20 30 CFEDMN C=CC1CCN(C(=O)c2[nH]nc3ccccc32)CC1 ZINC000110968962 262259478 /nfs/dbraw/zinc/25/94/78/262259478.db2.gz JBVYSYZSJODJPW-UHFFFAOYSA-N 0 1 255.321 2.601 20 30 CFEDMN CC(C)[C@H](CNC(=O)OC(C)(C)C)CN(C)C[C@@H](C)C#N ZINC000496064600 262338415 /nfs/dbraw/zinc/33/84/15/262338415.db2.gz HBGYCSHEQWBPOJ-UONOGXRCSA-N 0 1 297.443 2.875 20 30 CFEDMN C[C@@H](C#N)CN[C@@H](C)[C@H]1CCCCN1C(=O)OC(C)(C)C ZINC000496268636 262341164 /nfs/dbraw/zinc/34/11/64/262341164.db2.gz WUOXWWDYXPRMLE-MELADBBJSA-N 0 1 295.427 2.914 20 30 CFEDMN CC[C@@H](C)C(=O)NC1(C#N)CCN(Cc2ccccc2)CC1 ZINC000365394841 262363754 /nfs/dbraw/zinc/36/37/54/262363754.db2.gz LYGHQBMXQHRYBM-OAHLLOKOSA-N 0 1 299.418 2.707 20 30 CFEDMN CC(C)(C)OC(=O)N1CC[C@H]2CCN(CCCC#N)C[C@H]21 ZINC000365408452 262364506 /nfs/dbraw/zinc/36/45/06/262364506.db2.gz HUUWGQRWKLLAOV-ZIAGYGMSSA-N 0 1 293.411 2.621 20 30 CFEDMN Cc1cn[nH]c1CN1CCC[C@H]1[C@@H](C#N)c1ccccc1 ZINC000365594079 262372510 /nfs/dbraw/zinc/37/25/10/262372510.db2.gz FJDADAWATIEAHI-RDJZCZTQSA-N 0 1 280.375 2.990 20 30 CFEDMN CC1(CN2CCC[C@H]2[C@H](C#N)c2ccccc2)COC1 ZINC000336822176 262397345 /nfs/dbraw/zinc/39/73/45/262397345.db2.gz KPYMWXPVTHYGQT-CVEARBPZSA-N 0 1 270.376 2.795 20 30 CFEDMN CC(C)[C@H](O)CN1CCC[C@@H]1[C@@H](C#N)c1ccccc1 ZINC000336832977 262399215 /nfs/dbraw/zinc/39/92/15/262399215.db2.gz XFKNHLLZIPFRSN-GVDBMIGSSA-N 0 1 272.392 2.775 20 30 CFEDMN CC(C)(C)N1CC[C@](F)(C(=O)N[C@@](C)(C#N)C(C)(C)C)C1 ZINC000366036364 262539143 /nfs/dbraw/zinc/53/91/43/262539143.db2.gz BSPMQQZGVLASGV-JKSUJKDBSA-N 0 1 297.418 2.643 20 30 CFEDMN CC1(C#N)CCN(C(=O)c2cnc(-c3ccccc3)[nH]2)CC1 ZINC000272475920 263005019 /nfs/dbraw/zinc/00/50/19/263005019.db2.gz BFLVCHREDZACQO-UHFFFAOYSA-N 0 1 294.358 2.843 20 30 CFEDMN CC(=O)Nc1ccccc1CN1CCC(C)(C#N)CC1 ZINC000272497497 263005416 /nfs/dbraw/zinc/00/54/16/263005416.db2.gz GFIQTNXLAUSIOU-UHFFFAOYSA-N 0 1 271.364 2.771 20 30 CFEDMN CC1(C#N)CCN(C[C@@H]2CN(c3ccccc3)C(=O)O2)CC1 ZINC000272600640 263007459 /nfs/dbraw/zinc/00/74/59/263007459.db2.gz QURVOKBMAKXHCW-OAHLLOKOSA-N 0 1 299.374 2.637 20 30 CFEDMN C=C[C@](C)(CCOC)c1nc([C@H](N)CC(C)C)no1 ZINC000414613275 263009556 /nfs/dbraw/zinc/00/95/56/263009556.db2.gz FXFILANCFOFRRD-BXUZGUMPSA-N 0 1 267.373 2.596 20 30 CFEDMN N#CCCCNCc1c(F)cccc1N1CCCC1 ZINC000273078292 263012245 /nfs/dbraw/zinc/01/22/45/263012245.db2.gz PZGFDSIGQMIEBW-UHFFFAOYSA-N 0 1 261.344 2.819 20 30 CFEDMN N#C[C@@]1(c2nc(C3(N)CCCC3)no2)CC12CCCC2 ZINC000414627149 263015996 /nfs/dbraw/zinc/01/59/96/263015996.db2.gz LBKRHFXANMUDOL-CQSZACIVSA-N 0 1 272.352 2.523 20 30 CFEDMN C=CCOc1ccc(C[N@@H+](CCC)CC(=O)[O-])cc1 ZINC000414687201 263031829 /nfs/dbraw/zinc/03/18/29/263031829.db2.gz WMKXBWIHGQJQRA-UHFFFAOYSA-N 0 1 263.337 2.548 20 30 CFEDMN CC(C)(C)c1n[nH]c(S[C@H]2CC[C@@H](C#N)C2)n1 ZINC000278662120 263049298 /nfs/dbraw/zinc/04/92/98/263049298.db2.gz XCKHYFXDDVBODT-BDAKNGLRSA-N 0 1 250.371 2.887 20 30 CFEDMN CC(C)(C)c1nc(S[C@H]2CC[C@@H](C#N)C2)n[nH]1 ZINC000278662120 263049299 /nfs/dbraw/zinc/04/92/99/263049299.db2.gz XCKHYFXDDVBODT-BDAKNGLRSA-N 0 1 250.371 2.887 20 30 CFEDMN Cc1cccnc1OC1CCN(CCCC#N)CC1 ZINC000278727451 263050288 /nfs/dbraw/zinc/05/02/88/263050288.db2.gz VNLVPRKPFLGOOL-UHFFFAOYSA-N 0 1 259.353 2.537 20 30 CFEDMN N#C[C@H]1CC[C@H](N2CCN(c3ccc(F)cc3)CC2)C1 ZINC000278761490 263050761 /nfs/dbraw/zinc/05/07/61/263050761.db2.gz XXKSOGHSCRIZMK-BBRMVZONSA-N 0 1 273.355 2.640 20 30 CFEDMN CC(C)(C)c1[nH]n(CCC(C)(C)O)c(=O)c1CCC#N ZINC000340076562 263067023 /nfs/dbraw/zinc/06/70/23/263067023.db2.gz JOIMLVSWYGMYIV-UHFFFAOYSA-N 0 1 279.384 2.503 20 30 CFEDMN C[C@@H]1CN(C)C[C@@H](C)N1C(=O)c1ccc(C(C)(C)C#N)cc1 ZINC000281240579 263067474 /nfs/dbraw/zinc/06/74/74/263067474.db2.gz PLLWMFNTPGPFEY-ZIAGYGMSSA-N 0 1 299.418 2.652 20 30 CFEDMN CCc1ccc([C@H](COC)N[C@H]2CC[C@H](C#N)C2)o1 ZINC000282438799 263076760 /nfs/dbraw/zinc/07/67/60/263076760.db2.gz UIKVQPLZGAFXOS-OBJOEFQTSA-N 0 1 262.353 2.811 20 30 CFEDMN CCN(CC)[C@@H](CNC(=O)[C@](C)(C#N)CC)c1ccco1 ZINC000285255197 263091511 /nfs/dbraw/zinc/09/15/11/263091511.db2.gz XHJLJSVKHFYDBG-BBRMVZONSA-N 0 1 291.395 2.719 20 30 CFEDMN CC[C@@](C)(C#N)c1nc(-c2ccc3[nH]cnc3c2)no1 ZINC000289225415 263108276 /nfs/dbraw/zinc/10/82/76/263108276.db2.gz ZOGXXFIWJQIEMZ-AWEZNQCLSA-N 0 1 267.292 2.804 20 30 CFEDMN CCCC[N@@H+](C)C[C@H](C)/N=C/c1cc([N+](=O)[O-])ccc1[O-] ZINC000289941465 263113300 /nfs/dbraw/zinc/11/33/00/263113300.db2.gz OKVFQHBMEVFKHG-SEJMYLSOSA-N 0 1 293.367 2.840 20 30 CFEDMN N#CCCCC(=O)Nc1cc(F)cc(Cl)c1O ZINC000293176028 263138390 /nfs/dbraw/zinc/13/83/90/263138390.db2.gz HGXYSSNIJDBGKV-UHFFFAOYSA-N 0 1 256.664 2.817 20 30 CFEDMN CCc1ccc([C@@H](C#N)NC(=O)c2[nH]nc(C)c2C)cc1 ZINC000293207268 263138693 /nfs/dbraw/zinc/13/86/93/263138693.db2.gz FATUDAMIMUBCRP-CQSZACIVSA-N 0 1 282.347 2.584 20 30 CFEDMN CCN(CCC#N)Cc1cc(Cl)c(F)cc1O ZINC000294771290 263167407 /nfs/dbraw/zinc/16/74/07/263167407.db2.gz AXRSBODCULLFHS-UHFFFAOYSA-N 0 1 256.708 2.920 20 30 CFEDMN N#C[C@@]1(C(=O)Nc2ncc(C(F)(F)F)[nH]2)CC12CCCC2 ZINC000294820713 263168101 /nfs/dbraw/zinc/16/81/01/263168101.db2.gz CTCWZNBNGLCURR-GFCCVEGCSA-N 0 1 298.268 2.841 20 30 CFEDMN CC(C)(C#N)CCN(Cc1cccc(C(N)=O)c1)C1CC1 ZINC000296527607 263192323 /nfs/dbraw/zinc/19/23/23/263192323.db2.gz AQUGTKRSQVDKTH-UHFFFAOYSA-N 0 1 285.391 2.690 20 30 CFEDMN CCC(N)=NOCc1csc(C2CCCC2)n1 ZINC000299376031 263241463 /nfs/dbraw/zinc/24/14/63/263241463.db2.gz SRUBTYCPKDRSOC-UHFFFAOYSA-N 0 1 253.371 3.000 20 30 CFEDMN Cc1ccc2nc([C@H]3CCCN(CCC#N)C3)[nH]c2c1 ZINC000299654743 263250700 /nfs/dbraw/zinc/25/07/00/263250700.db2.gz LGBSNLXAEAWFHA-ZDUSSCGKSA-N 0 1 268.364 2.964 20 30 CFEDMN C#CCCCCC(=O)NC[C@@H](C)[N@@H+](C)Cc1ccccc1 ZINC000119832482 263278281 /nfs/dbraw/zinc/27/82/81/263278281.db2.gz LSUXIULKISHZPX-MRXNPFEDSA-N 0 1 286.419 2.817 20 30 CFEDMN C=CCNC(=O)[C@H](C)N[C@@H](C)c1cccc(OC(C)C)c1 ZINC000120253754 263282893 /nfs/dbraw/zinc/28/28/93/263282893.db2.gz MUWZXBZFMBPXLL-KBPBESRZSA-N 0 1 290.407 2.815 20 30 CFEDMN C=CC[N@H+](CC[C@H]1CCOC1=O)Cc1ccc(OC)cc1 ZINC000120214515 263284023 /nfs/dbraw/zinc/28/40/23/263284023.db2.gz GTJMZAKMYZLICA-HNNXBMFYSA-N 0 1 289.375 2.636 20 30 CFEDMN C=CC[C@H](CO)CNc1cc(C)nc2ccc(F)cc21 ZINC000340888099 263312133 /nfs/dbraw/zinc/31/21/33/263312133.db2.gz RSOLYPHKXTXSRF-LBPRGKRZSA-N 0 1 274.339 2.701 20 30 CFEDMN C=CCOc1ccc(CNCc2cc(C)nn2C)cc1 ZINC000341408076 263335324 /nfs/dbraw/zinc/33/53/24/263335324.db2.gz QPBXKDFYBRFXIU-UHFFFAOYSA-N 0 1 271.364 2.583 20 30 CFEDMN C=C1CCN([C@@H](C)C(=O)N(C(C)C)C(C)C)CC1 ZINC000341993915 263373061 /nfs/dbraw/zinc/37/30/61/263373061.db2.gz NCBWVTKETKPAMD-AWEZNQCLSA-N 0 1 252.402 2.672 20 30 CFEDMN C=CCCC[C@@H](C)NS(=O)(=O)c1c(F)cccc1F ZINC000342986441 263560968 /nfs/dbraw/zinc/56/09/68/263560968.db2.gz BPMNMXBMCFWUMY-SNVBAGLBSA-N 0 1 289.347 2.988 20 30 CFEDMN Cc1nc(CC(C)C)sc1C(=O)N[C@H](C)c1nnc[nH]1 ZINC000330635566 264001988 /nfs/dbraw/zinc/00/19/88/264001988.db2.gz MUEXVSFSRVIUBL-SECBINFHSA-N 0 1 293.396 2.834 20 30 CFEDMN CC[C@]1(C)CCCN([C@H](C)C(=O)N[C@@](C)(C#N)C(C)C)C1 ZINC000330925290 264094838 /nfs/dbraw/zinc/09/48/38/264094838.db2.gz GYMNLLLXBYOBST-OIISXLGYSA-N 0 1 293.455 2.941 20 30 CFEDMN CC[C@H](C)N(C)C([O-])=[NH+][C@@H]1CCc2cnn(C(C)C)c2C1 ZINC000331125469 264132538 /nfs/dbraw/zinc/13/25/38/264132538.db2.gz YQOAHAKZNATZCB-GXTWGEPZSA-N 0 1 292.427 2.966 20 30 CFEDMN C[C@H](CN(C)Cc1ccc(C#N)cn1)c1nccs1 ZINC000514735195 270352032 /nfs/dbraw/zinc/35/20/32/270352032.db2.gz APVLDDONVKTZNJ-LLVKDONJSA-N 0 1 272.377 2.645 20 30 CFEDMN C=CC[C@H]1N(Cc2c([N+](=O)[O-])ncn2C)CCCC1(C)C ZINC000331284300 264172143 /nfs/dbraw/zinc/17/21/43/264172143.db2.gz FMULMYSTUYCIKH-CYBMUJFWSA-N 0 1 292.383 2.895 20 30 CFEDMN Cc1cccc([C@@H](C)NC(=O)N(C)Cc2nnc[nH]2)c1C ZINC000331359007 264209138 /nfs/dbraw/zinc/20/91/38/264209138.db2.gz VXKQLVVNMQMSTN-GFCCVEGCSA-N 0 1 287.367 2.529 20 30 CFEDMN Cc1c(C#N)cccc1NC(=O)[C@H]1CCCN1C(C)C ZINC000934963740 649861173 /nfs/dbraw/zinc/86/11/73/649861173.db2.gz ANDNUXVGEWMWEY-OAHLLOKOSA-N 0 1 271.364 2.678 20 30 CFEDMN Cc1c(C#N)cccc1NC(=O)[C@@H]1CCCN1C(C)C ZINC000934963739 649861280 /nfs/dbraw/zinc/86/12/80/649861280.db2.gz ANDNUXVGEWMWEY-HNNXBMFYSA-N 0 1 271.364 2.678 20 30 CFEDMN C=C(C)CN1CCN(c2ncnc3sc(C)cc32)CC1 ZINC000189513880 264303375 /nfs/dbraw/zinc/30/33/75/264303375.db2.gz SMSUXHUUSCWEIY-UHFFFAOYSA-N 0 1 288.420 2.698 20 30 CFEDMN C=CCCCN(C)CC(=O)Nc1ccnn1C1CCCC1 ZINC000076735395 264343973 /nfs/dbraw/zinc/34/39/73/264343973.db2.gz BHPPEPIEVUUYHM-UHFFFAOYSA-N 0 1 290.411 2.835 20 30 CFEDMN N#CC1(CN(Cc2ccccc2)[C@H](CO)C2CC2)CC1 ZINC000343281656 264344096 /nfs/dbraw/zinc/34/40/96/264344096.db2.gz GODLIGLOCHKHTJ-MRXNPFEDSA-N 0 1 270.376 2.563 20 30 CFEDMN C=CCCCN(C)[C@@H](C)c1nc2ccccc2c(=O)[nH]1 ZINC000076737344 264344238 /nfs/dbraw/zinc/34/42/38/264344238.db2.gz MBUHIGJVNLVAJH-LBPRGKRZSA-N 0 1 271.364 2.882 20 30 CFEDMN C=C(CC)CNC(=O)c1sccc1CN(C)C ZINC000456815769 264346307 /nfs/dbraw/zinc/34/63/07/264346307.db2.gz ZGTBDWLHTGYIMP-UHFFFAOYSA-N 0 1 252.383 2.506 20 30 CFEDMN C=CCOCCC[N@@H+]1C[C@H](C2CCCCC2)C[C@@H]1C(=O)[O-] ZINC000514617812 266020581 /nfs/dbraw/zinc/02/05/81/266020581.db2.gz YNKQYSGEIBIBGV-HZPDHXFCSA-N 0 1 295.423 2.935 20 30 CFEDMN C=CCOCCC[N@@H+]1C[C@@H](C2CCCCC2)C[C@@H]1C(=O)[O-] ZINC000514617813 266020783 /nfs/dbraw/zinc/02/07/83/266020783.db2.gz YNKQYSGEIBIBGV-JKSUJKDBSA-N 0 1 295.423 2.935 20 30 CFEDMN C=CCCC(=O)Nc1[nH]nc(-c2ccncc2)c1C ZINC000362890729 267057609 /nfs/dbraw/zinc/05/76/09/267057609.db2.gz OBBCYJNPRGXYTR-UHFFFAOYSA-N 0 1 256.309 2.685 20 30 CFEDMN C=CCCCCCN1CCN(C(=O)N(CC)CC)CC1 ZINC000362954055 267065782 /nfs/dbraw/zinc/06/57/82/267065782.db2.gz GETCUFKSTARNPK-UHFFFAOYSA-N 0 1 281.444 2.812 20 30 CFEDMN C[C@@H](C(=O)NC1(C#N)CCCCC1)N1C[C@H]2CCCC[C@H]21 ZINC000368053857 267142924 /nfs/dbraw/zinc/14/29/24/267142924.db2.gz HZNNFRHDGHYSME-RRFJBIMHSA-N 0 1 289.423 2.592 20 30 CFEDMN N#CCSCCCN1CCO[C@H](C2CCCCC2)C1 ZINC000368827636 267207247 /nfs/dbraw/zinc/20/72/47/267207247.db2.gz YMQJWQRYEWNKLK-HNNXBMFYSA-N 0 1 282.453 2.914 20 30 CFEDMN CN(CCC#N)c1ccc(CN2CCO[C@@H](C3CC3)C2)cc1 ZINC000368890821 267211857 /nfs/dbraw/zinc/21/18/57/267211857.db2.gz WPHGWOMJXNEVSI-GOSISDBHSA-N 0 1 299.418 2.647 20 30 CFEDMN CC1(C)CC[C@@H](CN2CCC(C#N)(c3ccccn3)CC2)O1 ZINC000369216836 267226148 /nfs/dbraw/zinc/22/61/48/267226148.db2.gz YDFKAFFTYCYKMD-HNNXBMFYSA-N 0 1 299.418 2.896 20 30 CFEDMN C=CCCCCCN1CCOC[C@@H]1[C@H]1CCCC1=O ZINC000369692832 267260071 /nfs/dbraw/zinc/26/00/71/267260071.db2.gz OUGKXQFYAJKSMG-HUUCEWRRSA-N 0 1 265.397 2.803 20 30 CFEDMN C=CC[C@@H](CC)NC(=O)N1CCC(c2cnc[nH]2)CC1 ZINC000369934318 267277224 /nfs/dbraw/zinc/27/72/24/267277224.db2.gz QVFXAHKHTRGDFO-CYBMUJFWSA-N 0 1 276.384 2.653 20 30 CFEDMN C=CC1CCN(Cc2ccc(C(=O)OC)s2)CC1 ZINC000119100488 267300870 /nfs/dbraw/zinc/30/08/70/267300870.db2.gz PBOJTJAKNJNCDE-UHFFFAOYSA-N 0 1 265.378 2.933 20 30 CFEDMN CC[C@@H](C#N)NC(=O)[C@H]1CCCCN1Cc1cccc(C)c1 ZINC000371164601 267357214 /nfs/dbraw/zinc/35/72/14/267357214.db2.gz OXIORPRLSRSLHV-DLBZAZTESA-N 0 1 299.418 2.768 20 30 CFEDMN COC[C@H](Cc1ccccc1)NCC1(C#N)CCC1 ZINC000418145009 267366341 /nfs/dbraw/zinc/36/63/41/267366341.db2.gz WJSAQOWRRMOTAS-HNNXBMFYSA-N 0 1 258.365 2.528 20 30 CFEDMN C=CCCCC(=O)N1CCC(c2cn[nH]c2C)CC1 ZINC000375912108 267922474 /nfs/dbraw/zinc/92/24/74/267922474.db2.gz NACLXWNWQYUPBV-UHFFFAOYSA-N 0 1 261.369 2.780 20 30 CFEDMN CO[C@H]1CN(Cc2ccc(C#N)c(F)c2)CC[C@@H]1C ZINC000192216125 270229541 /nfs/dbraw/zinc/22/95/41/270229541.db2.gz MYVHHEYXDFPVPZ-NHYWBVRUSA-N 0 1 262.328 2.554 20 30 CFEDMN Cc1ccc(CNCc2cccc(C#N)c2)nc1C ZINC000313820225 270291079 /nfs/dbraw/zinc/29/10/79/270291079.db2.gz KLSKUIMJFRZIDL-UHFFFAOYSA-N 0 1 251.333 2.860 20 30 CFEDMN N#Cc1ccc2c(c1)CCC[C@H]2NCc1cnccn1 ZINC000516167698 270378380 /nfs/dbraw/zinc/37/83/80/270378380.db2.gz PELAMUSXAMRFIO-MRXNPFEDSA-N 0 1 264.332 2.515 20 30 CFEDMN C[C@@H]1CN(C)CCN1c1ccc(C(F)(F)F)c(C#N)c1 ZINC000227537927 274333754 /nfs/dbraw/zinc/33/37/54/274333754.db2.gz HCJDNECKNPUKCC-SNVBAGLBSA-N 0 1 283.297 2.717 20 30 CFEDMN C=CCNC(=O)CN[C@H](C)c1ccccc1C(F)(F)F ZINC000179948448 275430317 /nfs/dbraw/zinc/43/03/17/275430317.db2.gz KNENZRRDLACXRI-SNVBAGLBSA-N 0 1 286.297 2.658 20 30 CFEDMN CN1CCC[C@H]1C(=O)N[C@@H]1CCC(=O)N[C@H]1C(C)(C)C ZINC000329265246 277074694 /nfs/dbraw/zinc/07/46/94/277074694.db2.gz HAJDWKLPJKSDRE-NTZNESFSSA-N 0 1 281.400 2.571 20 30 CFEDMN COC[C@H](N[C@H](C)c1ccc(C#N)cc1F)[C@@H]1CCCO1 ZINC000433001449 277263524 /nfs/dbraw/zinc/26/35/24/277263524.db2.gz IAPWMJVLKOGGAD-RLCCDNCMSA-N 0 1 292.354 2.542 20 30 CFEDMN COc1nccc(CN[C@@H]2CCCc3cc(C#N)ccc32)n1 ZINC000453261770 278092797 /nfs/dbraw/zinc/09/27/97/278092797.db2.gz YZIGICVHWFEKBD-MRXNPFEDSA-N 0 1 294.358 2.524 20 30 CFEDMN CC1(C)CCC[C@](O)(CNC(=O)[C@@H]2CCCN2C2CC2)C1 ZINC000330217694 278248273 /nfs/dbraw/zinc/24/82/73/278248273.db2.gz ISBPSIAYONWMED-WMLDXEAASA-N 0 1 294.439 2.901 20 30 CFEDMN C[C@@H](N(C)CC(=O)Nc1ccc(C#N)cc1)C1(C)CC1 ZINC000177245344 278303222 /nfs/dbraw/zinc/30/32/22/278303222.db2.gz TYRFYVPHVGLGMG-GFCCVEGCSA-N 0 1 271.364 2.617 20 30 CFEDMN C[C@@H](N[C@@H]1CCc2ccc(C#N)cc21)C(=O)N1CCCCC1 ZINC000336003730 278375312 /nfs/dbraw/zinc/37/53/12/278375312.db2.gz BLHAAHYKISRBKH-CXAGYDPISA-N 0 1 297.402 2.536 20 30 CFEDMN C[C@H](N[C@@H](C)c1ccc(C#N)cc1)C(=O)NC1CCCC1 ZINC000037749625 279498554 /nfs/dbraw/zinc/49/85/54/279498554.db2.gz JNJLBZCQDYXSGV-STQMWFEESA-N 0 1 285.391 2.656 20 30 CFEDMN CC(C)n1cc(C#N)c(=NC(=O)[C@H]2CC[C@@H](C)[C@@H](C)C2)[nH]1 ZINC000410539945 280763144 /nfs/dbraw/zinc/76/31/44/280763144.db2.gz LBUODHOHARCRKG-AGIUHOORSA-N 0 1 288.395 2.768 20 30 CFEDMN COC[C@H](NCc1ccc(Cl)cc1C#N)C(C)C ZINC000547830828 281757136 /nfs/dbraw/zinc/75/71/36/281757136.db2.gz HVNVWKCQKBPRPR-AWEZNQCLSA-N 0 1 266.772 2.972 20 30 CFEDMN Cc1cc(OCC(=O)Nc2cccc(C#N)c2)cc(C)n1 ZINC000152792509 289854934 /nfs/dbraw/zinc/85/49/34/289854934.db2.gz RWWUXXOKRXZTBH-UHFFFAOYSA-N 0 1 281.315 2.588 20 30 CFEDMN C[C@H](NCc1cccnc1N(C)C)c1ccc(C#N)cc1 ZINC000154049284 289883896 /nfs/dbraw/zinc/88/38/96/289883896.db2.gz KSMQHGXIUPGWPA-ZDUSSCGKSA-N 0 1 280.375 2.870 20 30 CFEDMN Cc1ccccc1[C@@H](CO)NCc1ccc(C#N)c(F)c1 ZINC000563582615 290161055 /nfs/dbraw/zinc/16/10/55/290161055.db2.gz ZQCWRLAMGMFCBH-QGZVFWFLSA-N 0 1 284.334 2.829 20 30 CFEDMN Cc1nc([C@H]2CCCCN2Cc2ccccc2C#N)n[nH]1 ZINC000408473314 293386501 /nfs/dbraw/zinc/38/65/01/293386501.db2.gz IMJUOZUNHDVUNL-OAHLLOKOSA-N 0 1 281.363 2.712 20 30 CFEDMN C=C(C)CCN1CC[C@@H]1CN(C)C(=O)c1cccs1 ZINC001085466727 782068057 /nfs/dbraw/zinc/06/80/57/782068057.db2.gz AFVHJGMNWPIVBB-CYBMUJFWSA-N 0 1 278.421 2.861 20 30 CFEDMN CC(C)(C#N)CCCCN1CCN(Cc2ccon2)CC1 ZINC000336845276 327946757 /nfs/dbraw/zinc/94/67/57/327946757.db2.gz CHIYKSYFVBAYAW-UHFFFAOYSA-N 0 1 290.411 2.512 20 30 CFEDMN C=CCCN1CCN(c2cccc(F)c2F)CC1 ZINC000338542564 327983672 /nfs/dbraw/zinc/98/36/72/327983672.db2.gz CYDSWBLJVALCQK-UHFFFAOYSA-N 0 1 252.308 2.663 20 30 CFEDMN Cn1nccc1-c1ccccc1CNCC1(C#N)CCC1 ZINC000563592709 328075565 /nfs/dbraw/zinc/07/55/65/328075565.db2.gz LNIMYQDYZTUUJD-UHFFFAOYSA-N 0 1 280.375 2.871 20 30 CFEDMN C=CCCCCCNC(=O)CN1CCC(C)CC1 ZINC000571104597 328085753 /nfs/dbraw/zinc/08/57/53/328085753.db2.gz WJZUYEKVDBPLPN-UHFFFAOYSA-N 0 1 252.402 2.581 20 30 CFEDMN C[C@H](CCC#N)N1Cc2ccc(O)cc2C2(CC2)C1 ZINC000411745056 328098569 /nfs/dbraw/zinc/09/85/69/328098569.db2.gz NSQDPMMYRPAMBN-GFCCVEGCSA-N 0 1 256.349 2.932 20 30 CFEDMN C[C@H](CCC#N)[N@@H+](C)Cc1nc(=O)c2sccc2[n-]1 ZINC000278602824 328228066 /nfs/dbraw/zinc/22/80/66/328228066.db2.gz LYICVROUSDNAPR-SECBINFHSA-N 0 1 276.365 2.521 20 30 CFEDMN N#C[C@H]1CC[C@@H](N2CCN(c3ccc(Cl)cn3)CC2)C1 ZINC000278649180 328229203 /nfs/dbraw/zinc/22/92/03/328229203.db2.gz PQMLLPBYCZLMMY-GXTWGEPZSA-N 0 1 290.798 2.549 20 30 CFEDMN Cc1cccc(N2CCN([C@@H]3CC[C@@H](C#N)C3)CC2)c1 ZINC000278699939 328229917 /nfs/dbraw/zinc/22/99/17/328229917.db2.gz SWYWHTXAXQKVFO-NVXWUHKLSA-N 0 1 269.392 2.809 20 30 CFEDMN COc1cc(C[N@@H+](C)[C@@H]2CC[C@@H](C#N)C2)cc(OC)c1 ZINC000292942079 328274099 /nfs/dbraw/zinc/27/40/99/328274099.db2.gz BADJVCODOKNODM-TZMCWYRMSA-N 0 1 274.364 2.828 20 30 CFEDMN C[C@H](NCCOCCC#N)c1ccc(F)cc1F ZINC000293853015 328278085 /nfs/dbraw/zinc/27/80/85/328278085.db2.gz RJSBRZAAGDHOHE-JTQLQIEISA-N 0 1 254.280 2.546 20 30 CFEDMN C=CCCCCN[C@H](c1cn[nH]n1)c1ccc(F)cc1 ZINC000340507213 328286312 /nfs/dbraw/zinc/28/63/12/328286312.db2.gz WRDIVYBTUZXDTJ-HNNXBMFYSA-N 0 1 274.343 2.979 20 30 CFEDMN N#Cc1csc(CNCCCc2cccs2)n1 ZINC000570369292 322528847 /nfs/dbraw/zinc/52/88/47/322528847.db2.gz MREFATKXXIMCFN-UHFFFAOYSA-N 0 1 263.391 2.799 20 30 CFEDMN N#Cc1ccsc1NC(=O)CN1C[C@H]2CCCC[C@@H]2C1 ZINC000177545586 323697717 /nfs/dbraw/zinc/69/77/17/323697717.db2.gz NYCSBXXITPZJQL-CHWSQXEVSA-N 0 1 289.404 2.680 20 30 CFEDMN C[C@H](NCc1cccc(N(C)C)n1)c1cccc(C#N)c1 ZINC000182074870 323841117 /nfs/dbraw/zinc/84/11/17/323841117.db2.gz WUHYVNAKWHITLQ-ZDUSSCGKSA-N 0 1 280.375 2.870 20 30 CFEDMN N#Cc1ccc(-c2nc(-c3ccn4cncc4c3)no2)s1 ZINC000351109554 324314275 /nfs/dbraw/zinc/31/42/75/324314275.db2.gz VNLGQHRZTGLMGP-UHFFFAOYSA-N 0 1 293.311 2.984 20 30 CFEDMN CC(C)n1cc(CNCc2ccc(CC#N)cc2)cn1 ZINC000563716653 328493843 /nfs/dbraw/zinc/49/38/43/328493843.db2.gz XMQSYLRFFVEMSJ-UHFFFAOYSA-N 0 1 268.364 2.820 20 30 CFEDMN C[C@@H](C(=O)N[C@@H]1CCCC[C@H]1C)N1CCC(CC#N)CC1 ZINC000541951339 328496598 /nfs/dbraw/zinc/49/65/98/328496598.db2.gz BRQJJKYDOZGOJI-IJEWVQPXSA-N 0 1 291.439 2.695 20 30 CFEDMN CN(Cc1cc(C(C)(C)C)[nH]n1)c1ccncc1C#N ZINC000580107296 325008133 /nfs/dbraw/zinc/00/81/33/325008133.db2.gz TZPZSFOMWFVYTB-UHFFFAOYSA-N 0 1 269.352 2.610 20 30 CFEDMN CCc1nc(CNc2cccc(C(F)F)c2C#N)n[nH]1 ZINC000580450563 325037928 /nfs/dbraw/zinc/03/79/28/325037928.db2.gz MHWJOXTYFQUCMG-UHFFFAOYSA-N 0 1 277.278 2.788 20 30 CFEDMN C[C@H](c1ccccc1)N1CCN(c2cnccc2C#N)CC1 ZINC000582523312 325211012 /nfs/dbraw/zinc/21/10/12/325211012.db2.gz VUHQKWCZCNMHSU-OAHLLOKOSA-N 0 1 292.386 2.836 20 30 CFEDMN CC[C@H]1C[N@H+](C)CCN1CCCCC(C)(C)C#N ZINC000577099194 327078282 /nfs/dbraw/zinc/07/82/82/327078282.db2.gz ACBORPDSQYKODU-AWEZNQCLSA-N 0 1 251.418 2.732 20 30 CFEDMN CC(C)c1csc(C(C#N)C(=O)N[C@@H](C)C2CC2)n1 ZINC000358095810 327215100 /nfs/dbraw/zinc/21/51/00/327215100.db2.gz LGUXMQVRNQWJQI-ONGXEEELSA-N 0 1 277.393 2.788 20 30 CFEDMN C=CC[N@H+](CC[C@@H](C(=O)[O-])c1ccccc1)C1CC1 ZINC000583386873 327337676 /nfs/dbraw/zinc/33/76/76/327337676.db2.gz PTZFKCLNQABYNA-OAHLLOKOSA-N 0 1 259.349 2.895 20 30 CFEDMN Cc1c(F)cccc1NC(=O)CCNCC1(C#N)CCC1 ZINC000563952924 328841308 /nfs/dbraw/zinc/84/13/08/328841308.db2.gz XHISFNKZRYQOBH-UHFFFAOYSA-N 0 1 289.354 2.746 20 30 CFEDMN CC[C@](C)(C#N)C(=O)N1CCN(C2CCC(C)CC2)CC1 ZINC000353063354 328845629 /nfs/dbraw/zinc/84/56/29/328845629.db2.gz LWHGQOOPLARMCO-VMBOVVBDSA-N 0 1 291.439 2.649 20 30 CFEDMN C=CCN1CC[C@H](N(C)c2ccnc3cc(F)ccc32)C1=O ZINC000358678645 328891447 /nfs/dbraw/zinc/89/14/47/328891447.db2.gz MHAMEWBHZDDVMW-INIZCTEOSA-N 0 1 299.349 2.597 20 30 CFEDMN CC#CCCNCc1cc([N+](=O)[O-])ccc1OC(F)F ZINC000360968665 328913482 /nfs/dbraw/zinc/91/34/82/328913482.db2.gz LKCZVIMAYDAGRX-UHFFFAOYSA-N 0 1 284.262 2.699 20 30 CFEDMN C[C@@H](C#N)CNC1CC(c2cc(F)cc(F)c2)C1 ZINC000582387453 328975830 /nfs/dbraw/zinc/97/58/30/328975830.db2.gz WVHUMAINMLMCHT-VOIZVOFFSA-N 0 1 250.292 2.960 20 30 CFEDMN CCCCCCC[N@H+]1CCC[C@@H](c2n[nH]c(=O)[n-]2)C1 ZINC000377488015 329016526 /nfs/dbraw/zinc/01/65/26/329016526.db2.gz YOEVWXRYZMAKLE-GFCCVEGCSA-N 0 1 266.389 2.660 20 30 CFEDMN C=C(C)CN1CCN(Cc2cc(F)ccc2OC)CC1 ZINC000171199184 329073151 /nfs/dbraw/zinc/07/31/51/329073151.db2.gz MKPGYBPHQHZSBP-UHFFFAOYSA-N 0 1 278.371 2.528 20 30 CFEDMN CCC[N@@H+](CC(=O)N(C)C1(C#N)CCCCC1)C1CC1 ZINC000171681616 329078344 /nfs/dbraw/zinc/07/83/44/329078344.db2.gz OUMJVYHQWFWRKL-UHFFFAOYSA-N 0 1 277.412 2.546 20 30 CFEDMN CC[C@@H](CC#N)NCCC(=O)Nc1cccc(Cl)c1 ZINC000582674014 329123154 /nfs/dbraw/zinc/12/31/54/329123154.db2.gz CKUDAQPQBFYGRC-LBPRGKRZSA-N 0 1 279.771 2.950 20 30 CFEDMN C#CCN1CCC(N(CC2CC2)C(=O)OC(C)(C)C)CC1 ZINC000175871563 329170492 /nfs/dbraw/zinc/17/04/92/329170492.db2.gz QONWKKWWBFVTGX-UHFFFAOYSA-N 0 1 292.423 2.731 20 30 CFEDMN C=C(C)CN(C)[C@H](C)C(=O)N(CCC#N)c1ccccc1 ZINC000181261819 329228419 /nfs/dbraw/zinc/22/84/19/329228419.db2.gz BSARMPVYSITCPY-OAHLLOKOSA-N 0 1 285.391 2.830 20 30 CFEDMN C=C(C)CN(C)CC(=O)NCc1ccc(OCCC)cc1 ZINC000181280054 329229029 /nfs/dbraw/zinc/22/90/29/329229029.db2.gz ZUHTVHWEUGBUJB-UHFFFAOYSA-N 0 1 290.407 2.600 20 30 CFEDMN C=C(C)CN(C)C(=O)NC[C@H](c1cccc(F)c1)N(C)C ZINC000182212972 329240863 /nfs/dbraw/zinc/24/08/63/329240863.db2.gz ZHCUASNFTXDJFB-OAHLLOKOSA-N 0 1 293.386 2.646 20 30 CFEDMN C=C(C)CN(C)C(=O)c1cc(-c2cccc(OC)c2)[nH]n1 ZINC000183059615 329246759 /nfs/dbraw/zinc/24/67/59/329246759.db2.gz AXQJSQKWRVILCK-UHFFFAOYSA-N 0 1 285.347 2.733 20 30 CFEDMN C=CC[C@@H](CO)NCc1csc(-c2ccsc2)n1 ZINC000184274388 329258389 /nfs/dbraw/zinc/25/83/89/329258389.db2.gz RCELKNBVVFBQDB-NSHDSACASA-N 0 1 280.418 2.898 20 30 CFEDMN C=C[C@H](C)NCc1ccc(C(=O)OC)cc1Br ZINC000226717383 329264544 /nfs/dbraw/zinc/26/45/44/329264544.db2.gz MKOHVRFLOGYCQX-VIFPVBQESA-N 0 1 298.180 2.900 20 30 CFEDMN C=CCOCCC[N@H+](CC(=O)[O-])Cc1ccc(Cl)cc1 ZINC000583149644 329322777 /nfs/dbraw/zinc/32/27/77/329322777.db2.gz YGYDNBWYPXCWMP-UHFFFAOYSA-N 0 1 297.782 2.819 20 30 CFEDMN CCC1(CC)CCN(CC(=O)N[C@@](C)(C#N)C2CC2)CC1 ZINC000186549157 329345167 /nfs/dbraw/zinc/34/51/67/329345167.db2.gz XECSINRAZABFHY-INIZCTEOSA-N 0 1 291.439 2.697 20 30 CFEDMN C=CCC[C@@H](C(=O)N(C)Cc1nnc[nH]1)c1ccccc1 ZINC000189755133 329385457 /nfs/dbraw/zinc/38/54/57/329385457.db2.gz FNJIPJOWPMZANV-CQSZACIVSA-N 0 1 284.363 2.513 20 30 CFEDMN N#CCCN(C[C@H](O)CC1CCCC1)CC1CC1 ZINC000190628685 329399877 /nfs/dbraw/zinc/39/98/77/329399877.db2.gz VIAVRERCLDCDFI-OAHLLOKOSA-N 0 1 250.386 2.553 20 30 CFEDMN C=CCOc1ccccc1CN1CCC(C#N)CC1 ZINC000123709178 329561667 /nfs/dbraw/zinc/56/16/67/329561667.db2.gz RLIODQPELNYFOP-UHFFFAOYSA-N 0 1 256.349 2.987 20 30 CFEDMN Cc1c(Cl)c(CNCC(C)(C)CCC#N)nn1C ZINC000421351120 329815378 /nfs/dbraw/zinc/81/53/78/329815378.db2.gz BOHNEICONBKIKM-UHFFFAOYSA-N 0 1 268.792 2.802 20 30 CFEDMN C=CCOc1ccc(C[N@@H+](CCC)CC(=O)[O-])cc1OC ZINC000263431020 330055554 /nfs/dbraw/zinc/05/55/54/330055554.db2.gz SBCPDBAXDDFISN-UHFFFAOYSA-N 0 1 293.363 2.557 20 30 CFEDMN C=CCOc1ccc(C[N@@H+](C)CCC(=O)[O-])cc1Cl ZINC000263438844 330055720 /nfs/dbraw/zinc/05/57/20/330055720.db2.gz VOLGINOXUYUKEA-UHFFFAOYSA-N 0 1 283.755 2.811 20 30 CFEDMN C=CCOc1cccc(C[N@@H+](CCC)CC(=O)[O-])c1 ZINC000263437468 330055725 /nfs/dbraw/zinc/05/57/25/330055725.db2.gz VCGJJNHIGLQCSG-UHFFFAOYSA-N 0 1 263.337 2.548 20 30 CFEDMN C=C[C@@H](CO)N[C@H](C)c1ccc(Cl)cc1OC ZINC000421853833 330088588 /nfs/dbraw/zinc/08/85/88/330088588.db2.gz KIDWBPVPMNEKOW-KOLCDFICSA-N 0 1 255.745 2.546 20 30 CFEDMN C#CCN(Cc1ccc(OC)c(OC(F)F)c1)C1CC1 ZINC000274085815 330103271 /nfs/dbraw/zinc/10/32/71/330103271.db2.gz HVQSARWHPMSMBQ-UHFFFAOYSA-N 0 1 281.302 2.894 20 30 CFEDMN C#CCN(Cc1ccc(OC)c(COCC)c1)C1CC1 ZINC000274180750 330103574 /nfs/dbraw/zinc/10/35/74/330103574.db2.gz YBTPSVAKRQLSLT-UHFFFAOYSA-N 0 1 273.376 2.829 20 30 CFEDMN C=CCOc1ccccc1C[N@H+]1C[C@H](C)C[C@@H](C(=O)[O-])C1 ZINC000422632065 330150466 /nfs/dbraw/zinc/15/04/66/330150466.db2.gz GAEPTYPCRDZWMC-UKRRQHHQSA-N 0 1 289.375 2.794 20 30 CFEDMN C=C(C)CNCc1cc(OCC)c(OC)cc1F ZINC000527705032 330275293 /nfs/dbraw/zinc/27/52/93/330275293.db2.gz KAWZVUCVNUUFAJ-UHFFFAOYSA-N 0 1 253.317 2.899 20 30 CFEDMN C=CCn1cc(CNC2CC(c3ccccc3F)C2)nn1 ZINC000424296330 330336086 /nfs/dbraw/zinc/33/60/86/330336086.db2.gz ODXFFXLXRFFZMF-UHFFFAOYSA-N 0 1 286.354 2.639 20 30 CFEDMN C=CCn1cc(CN[C@@H]2C[C@@H](OCC)C2(CC)CC)nn1 ZINC000424290376 330338358 /nfs/dbraw/zinc/33/83/58/330338358.db2.gz BOFTVCLVZVNULW-HUUCEWRRSA-N 0 1 292.427 2.538 20 30 CFEDMN C=C(C)CN(CC)[C@H]1CCN(c2ccccc2OC)C1=O ZINC000152521221 330373527 /nfs/dbraw/zinc/37/35/27/330373527.db2.gz NKZIVGXMKVGPFJ-HNNXBMFYSA-N 0 1 288.391 2.699 20 30 CFEDMN C=CCN(C)[C@H](C)C(=O)N[C@H](C)c1ccc(CC)cc1 ZINC000121302044 330399425 /nfs/dbraw/zinc/39/94/25/330399425.db2.gz LSQQMOARNBVPDJ-ZIAGYGMSSA-N 0 1 274.408 2.933 20 30 CFEDMN C=CC1CCN(Cc2ccccc2C(=O)OC)CC1 ZINC000093359138 330419564 /nfs/dbraw/zinc/41/95/64/330419564.db2.gz CHGUHBLAEZTVKK-UHFFFAOYSA-N 0 1 259.349 2.871 20 30 CFEDMN C=CCNC(=O)[C@@H](C)N1CCC(F)(c2ccccc2)CC1 ZINC000434499052 330640303 /nfs/dbraw/zinc/64/03/03/330640303.db2.gz KMUKDGXFTJMDBU-CQSZACIVSA-N 0 1 290.382 2.638 20 30 CFEDMN N#CC1(CN2CCC(CO)(Cc3ccccc3)CC2)CCC1 ZINC000450861444 331003423 /nfs/dbraw/zinc/00/34/23/331003423.db2.gz DPPBWRAEEYRJST-UHFFFAOYSA-N 0 1 298.430 2.997 20 30 CFEDMN C=CCC[C@@H](CO)Nc1cc(C)nc2ccc(F)cc21 ZINC000450896935 331005673 /nfs/dbraw/zinc/00/56/73/331005673.db2.gz OOKWRPLUTBEIEY-ZDUSSCGKSA-N 0 1 274.339 2.843 20 30 CFEDMN Cc1nc(SC[C@H](O)CC#N)[nH]c1-c1ccccc1 ZINC000450913379 331006799 /nfs/dbraw/zinc/00/67/99/331006799.db2.gz UWNYNWZTWNBPLB-GFCCVEGCSA-N 0 1 273.361 2.752 20 30 CFEDMN CN1CCN(CC2(C#N)CCC2)C[C@@H]1Cc1ccccc1 ZINC000450936151 331008037 /nfs/dbraw/zinc/00/80/37/331008037.db2.gz FBDDOVBLKQJDLP-KRWDZBQOSA-N 0 1 283.419 2.539 20 30 CFEDMN CO[C@H](Cc1ccccc1)CN1CCC(F)(C#N)CC1 ZINC000450970709 331009336 /nfs/dbraw/zinc/00/93/36/331009336.db2.gz FIDPKIIZDYOXAZ-OAHLLOKOSA-N 0 1 276.355 2.572 20 30 CFEDMN C[C@@]1(F)CCC[N@@H+](CCCC2(C#N)CCOCC2)C1 ZINC000451117362 331016310 /nfs/dbraw/zinc/01/63/10/331016310.db2.gz UXZHICHKURWYAH-CQSZACIVSA-N 0 1 268.376 2.911 20 30 CFEDMN CC[C@H]1[C@@H](CO)CCN1CC#Cc1ccccc1Cl ZINC000451253523 331022075 /nfs/dbraw/zinc/02/20/75/331022075.db2.gz JUPLUFNBBOZTKR-ZBFHGGJFSA-N 0 1 277.795 2.784 20 30 CFEDMN C=C[C@@H]1OCC[C@H]1N[C@@H](C)c1nc2ccccc2o1 ZINC000451605638 331036248 /nfs/dbraw/zinc/03/62/48/331036248.db2.gz DSAIIWALORFTQZ-UHTWSYAYSA-N 0 1 258.321 2.822 20 30 CFEDMN C=C[C@@H]1OCCC[C@H]1NCc1csc(N(C)C2CC2)n1 ZINC000451675397 331038543 /nfs/dbraw/zinc/03/85/43/331038543.db2.gz PURBZFORCHENEZ-KGLIPLIRSA-N 0 1 293.436 2.565 20 30 CFEDMN OCCC[C@H]1CCN(CC#Cc2ccccc2Cl)C1 ZINC000452128275 331055184 /nfs/dbraw/zinc/05/51/84/331055184.db2.gz XKBLPIRHXOYKQL-AWEZNQCLSA-N 0 1 277.795 2.786 20 30 CFEDMN C=C(C)CCNC(=O)[C@H](C)[N@@H+](C)Cc1ccccc1 ZINC000452720883 331073863 /nfs/dbraw/zinc/07/38/63/331073863.db2.gz YAWDORWFIVUXAM-AWEZNQCLSA-N 0 1 260.381 2.589 20 30 CFEDMN C=C(C)CCNC(=O)[C@H](C)N(C)Cc1ccccc1 ZINC000452720883 331073864 /nfs/dbraw/zinc/07/38/64/331073864.db2.gz YAWDORWFIVUXAM-AWEZNQCLSA-N 0 1 260.381 2.589 20 30 CFEDMN C=CC(C)(C)CNC(=O)[C@H]1CCCN1Cc1ccccc1 ZINC000452779964 331077426 /nfs/dbraw/zinc/07/74/26/331077426.db2.gz WBRZFLOWTFUGFA-MRXNPFEDSA-N 0 1 286.419 2.979 20 30 CFEDMN C=C(CC)CNC(=O)NCc1nc2ccc(C)cc2[nH]1 ZINC000454608921 331149742 /nfs/dbraw/zinc/14/97/42/331149742.db2.gz UYUHKEJLTNAPIX-UHFFFAOYSA-N 0 1 272.352 2.637 20 30 CFEDMN C=CC(C)(C)CNC(=O)N1CCC[C@@H](c2cc(C)[nH]n2)C1 ZINC000455375747 331167489 /nfs/dbraw/zinc/16/74/89/331167489.db2.gz AARJBYPWCZMGRU-CYBMUJFWSA-N 0 1 290.411 2.819 20 30 CFEDMN C=C(CC)CNC(=O)NC[C@@H](c1cccs1)N(C)C ZINC000455539279 331172562 /nfs/dbraw/zinc/17/25/62/331172562.db2.gz DNXNNWDPBRGXCE-LBPRGKRZSA-N 0 1 281.425 2.616 20 30 CFEDMN C=C(C)C[C@@H](C)C(=O)N1CCN([C@@H](C)CC)CC1 ZINC000456521034 331194993 /nfs/dbraw/zinc/19/49/93/331194993.db2.gz BXUPJGRFOBNRSX-KGLIPLIRSA-N 0 1 252.402 2.531 20 30 CFEDMN CCN1CCCC[C@H]1C(=O)Nc1cccc(CC#N)c1 ZINC000456741796 331199626 /nfs/dbraw/zinc/19/96/26/331199626.db2.gz ZBNTZCOIJXXKFD-HNNXBMFYSA-N 0 1 271.364 2.566 20 30 CFEDMN C[C@@H]1CC[C@@H](C)N1CC(=O)Nc1cccc(CC#N)c1 ZINC000456738908 331199666 /nfs/dbraw/zinc/19/96/66/331199666.db2.gz VHPJZTRQLLDNNH-CHWSQXEVSA-N 0 1 271.364 2.564 20 30 CFEDMN N#CCc1cccc(NC(=O)c2cn[nH]c2C2CC2)c1 ZINC000456749620 331199941 /nfs/dbraw/zinc/19/99/41/331199941.db2.gz LDDAVXOYLALMRA-UHFFFAOYSA-N 0 1 266.304 2.605 20 30 CFEDMN C=CCC(C)(C)CNC(=O)NCc1n[nH]c(C(C)(C)C)n1 ZINC000458812069 331260915 /nfs/dbraw/zinc/26/09/15/331260915.db2.gz QHEHGGZNHUYWHF-UHFFFAOYSA-N 0 1 293.415 2.504 20 30 CFEDMN C=CCC(C)(C)CNC(=O)N1CCN(C)C[C@H]1C(C)C ZINC000458813150 331260977 /nfs/dbraw/zinc/26/09/77/331260977.db2.gz SHGBGOZCUBVXFM-AWEZNQCLSA-N 0 1 281.444 2.570 20 30 CFEDMN N#CCCCC[NH2+]Cc1cccc([O-])c1Br ZINC000459403522 331280138 /nfs/dbraw/zinc/28/01/38/331280138.db2.gz GYOBXEBBTMHJMA-UHFFFAOYSA-N 0 1 283.169 2.938 20 30 CFEDMN C=CCN1CC[C@H](N(C)[C@@H](C)c2ccc3c(c2)CCC3)C1=O ZINC000459441951 331281545 /nfs/dbraw/zinc/28/15/45/331281545.db2.gz ZDUGXPWWBUWSCA-KSSFIOAISA-N 0 1 298.430 2.955 20 30 CFEDMN N#C[C@@H]1CCC[C@@H]1NCCC(=O)N1CCCc2ccccc21 ZINC000459452915 331282079 /nfs/dbraw/zinc/28/20/79/331282079.db2.gz BWNCDUWALYJHTG-HOTGVXAUSA-N 0 1 297.402 2.638 20 30 CFEDMN CCc1cccc(OCCN[C@@H]2CCC[C@H]2C#N)c1 ZINC000459469522 331283316 /nfs/dbraw/zinc/28/33/16/331283316.db2.gz RNLYVYDYOLZELP-GOEBONIOSA-N 0 1 258.365 2.910 20 30 CFEDMN CCc1cccc(OCCN[C@@H]2CCC[C@@H]2C#N)c1 ZINC000459469518 331283401 /nfs/dbraw/zinc/28/34/01/331283401.db2.gz RNLYVYDYOLZELP-GDBMZVCRSA-N 0 1 258.365 2.910 20 30 CFEDMN CN(C)CC(C)(C)[NH2+]CC#Cc1ccc(Cl)cc1 ZINC000459552261 331287536 /nfs/dbraw/zinc/28/75/36/331287536.db2.gz UZTUJLIQUZMSOD-UHFFFAOYSA-N 0 1 264.800 2.621 20 30 CFEDMN CC(C)(CC#N)CNCc1ccn(-c2ccccc2)n1 ZINC000459727485 331296079 /nfs/dbraw/zinc/29/60/79/331296079.db2.gz GOPVZTNMOOSIIC-UHFFFAOYSA-N 0 1 268.364 2.902 20 30 CFEDMN COc1ccc(F)c(CNCC(C)(C)CC#N)c1 ZINC000459731237 331296527 /nfs/dbraw/zinc/29/65/27/331296527.db2.gz NAXUPVPOXIHATG-UHFFFAOYSA-N 0 1 250.317 2.864 20 30 CFEDMN CC[C@](C)(C#N)C(=O)Nc1ccc2nc(C)[nH]c2c1 ZINC000505222311 331359979 /nfs/dbraw/zinc/35/99/79/331359979.db2.gz FRMPEUWYKSJRIH-CQSZACIVSA-N 0 1 256.309 2.750 20 30 CFEDMN C=CCn1cccc1C(=O)NCc1nc2ccc(F)cc2[nH]1 ZINC000488763148 332024641 /nfs/dbraw/zinc/02/46/41/332024641.db2.gz FLSZSVSHQLHYIY-UHFFFAOYSA-N 0 1 298.321 2.620 20 30 CFEDMN C=C[C@@](C)(CCOC)C(=O)Nc1nc2ccc(F)cc2[nH]1 ZINC000488894519 332032669 /nfs/dbraw/zinc/03/26/69/332032669.db2.gz IFRWINRKEYWHAX-HNNXBMFYSA-N 0 1 291.326 2.869 20 30 CFEDMN C=CCn1cccc1C(=O)Nc1nc(-c2ccc(C)o2)n[nH]1 ZINC000489035504 332038722 /nfs/dbraw/zinc/03/87/22/332038722.db2.gz FIJTXBZOBOVSFH-UHFFFAOYSA-N 0 1 297.318 2.613 20 30 CFEDMN C=CCC(CC=C)C(=O)N1CCN(C)[C@@H](C(C)C)C1 ZINC000489387745 332049594 /nfs/dbraw/zinc/04/95/94/332049594.db2.gz FNBLTRAMJDHATQ-OAHLLOKOSA-N 0 1 264.413 2.553 20 30 CFEDMN C=C[C@@H]1CCCCN1Cc1cccc(C(=O)NC)c1 ZINC000489471034 332054437 /nfs/dbraw/zinc/05/44/37/332054437.db2.gz DBVFWPMVUWOSBV-OAHLLOKOSA-N 0 1 258.365 2.587 20 30 CFEDMN C=C[C@H]1CCCCN1CC(=O)NCc1ccccc1C ZINC000489474848 332055105 /nfs/dbraw/zinc/05/51/05/332055105.db2.gz LBIMFMZHELOBON-INIZCTEOSA-N 0 1 272.392 2.652 20 30 CFEDMN C=C[C@@H]1CCCCN1CC(=O)N1[C@@H](C)CCC[C@@H]1C ZINC000489484871 332055708 /nfs/dbraw/zinc/05/57/08/332055708.db2.gz QFGVNBVFFLMALK-SOUVJXGZSA-N 0 1 264.413 2.816 20 30 CFEDMN C=C[C@@H]1CCCCN1CC(=O)N(CC(C)C)C(C)C ZINC000489489824 332055917 /nfs/dbraw/zinc/05/59/17/332055917.db2.gz MSMCNLGWSDTPFJ-OAHLLOKOSA-N 0 1 266.429 2.920 20 30 CFEDMN C#CCN1CCC(C(=O)O[C@@H](C)CCCC=C)CC1 ZINC000490893996 332126458 /nfs/dbraw/zinc/12/64/58/332126458.db2.gz YSBRDBWVBLRELH-AWEZNQCLSA-N 0 1 263.381 2.620 20 30 CFEDMN C#C[C@H](C)N(C)Cc1cccc(C(=O)N2CCCCC2)c1 ZINC000491326895 332190822 /nfs/dbraw/zinc/19/08/22/332190822.db2.gz RELVIWYJKHWSBO-HNNXBMFYSA-N 0 1 284.403 2.766 20 30 CFEDMN C#C[C@H](C)N(C)C[C@@H](O)c1ccc(C(F)(F)F)cc1 ZINC000491473965 332217795 /nfs/dbraw/zinc/21/77/95/332217795.db2.gz IXNGTVYTKGGUFV-GXFFZTMASA-N 0 1 271.282 2.692 20 30 CFEDMN C#C[C@@H](CCC)NC(=O)N(C)Cc1cc(C(C)(C)C)[nH]n1 ZINC000491475564 332218793 /nfs/dbraw/zinc/21/87/93/332218793.db2.gz XWLIXKFCSQTBRV-LBPRGKRZSA-N 0 1 290.411 2.651 20 30 CFEDMN C#CCN(C/C=C\c1ccccc1[N+](=O)[O-])C1CC1 ZINC000491628608 332251888 /nfs/dbraw/zinc/25/18/88/332251888.db2.gz OSLFEFDPYNTLKG-ALCCZGGFSA-N 0 1 256.305 2.706 20 30 CFEDMN C#CCN1CCC(C(=O)OCCC2=CCCCC2)CC1 ZINC000491630043 332252780 /nfs/dbraw/zinc/25/27/80/332252780.db2.gz NMYOLEIHXDDRSJ-UHFFFAOYSA-N 0 1 275.392 2.765 20 30 CFEDMN C#C[C@H](C)N(C)Cc1ccc(OC)c(OC(F)F)c1 ZINC000491678317 332282862 /nfs/dbraw/zinc/28/28/62/332282862.db2.gz TUTIWMCZPGZDNP-JTQLQIEISA-N 0 1 269.291 2.750 20 30 CFEDMN C#CC[N@@H+](Cc1ccc(OC[C@H]2CCCO2)cc1)C1CC1 ZINC000491710010 332301943 /nfs/dbraw/zinc/30/19/43/332301943.db2.gz RRZACDFCAQMUFV-GOSISDBHSA-N 0 1 285.387 2.842 20 30 CFEDMN C#CCN(Cc1ccc(OC[C@H]2CCCO2)cc1)C1CC1 ZINC000491710010 332301944 /nfs/dbraw/zinc/30/19/44/332301944.db2.gz RRZACDFCAQMUFV-GOSISDBHSA-N 0 1 285.387 2.842 20 30 CFEDMN C#CCN(Cc1cnc([C@H](C)O)s1)C1CCCCC1 ZINC000491726753 332310257 /nfs/dbraw/zinc/31/02/57/332310257.db2.gz GIOAODPYVIAOBZ-LBPRGKRZSA-N 0 1 278.421 2.964 20 30 CFEDMN C#CCN1CCC(C(=O)OCc2ccc(C)c(C)c2)CC1 ZINC000491753982 332329140 /nfs/dbraw/zinc/32/91/40/332329140.db2.gz QVCLPSYJIIREGA-UHFFFAOYSA-N 0 1 285.387 2.692 20 30 CFEDMN C[C@H]1CC[C@H](C)N1CC(=O)N(CCC#N)c1ccccc1 ZINC000174508524 333001105 /nfs/dbraw/zinc/00/11/05/333001105.db2.gz KZZZSMCZGIHGCE-GJZGRUSLSA-N 0 1 285.391 2.806 20 30 CFEDMN Cc1nnc(NC(=O)CCC(=O)c2ccc(F)c(F)c2)[nH]1 ZINC000087297597 333082652 /nfs/dbraw/zinc/08/26/52/333082652.db2.gz MNSUQTCRAZUJBC-UHFFFAOYSA-N 0 1 294.261 2.642 20 30 CFEDMN C=CC[C@@H]1N(C(=O)[C@@H](C)N2CC(C)C2)CCCC1(C)C ZINC000516936245 333086834 /nfs/dbraw/zinc/08/68/34/333086834.db2.gz CBFGMNDRDLWJJG-CABCVRRESA-N 0 1 278.440 2.920 20 30 CFEDMN C=CC[C@H]1N(C(=O)[C@@H](C)N2CC(C)C2)CCCC1(C)C ZINC000516936247 333086876 /nfs/dbraw/zinc/08/68/76/333086876.db2.gz CBFGMNDRDLWJJG-HUUCEWRRSA-N 0 1 278.440 2.920 20 30 CFEDMN C=CC[C@@H]1N(C(=O)[C@H](C)N2CC(C)C2)CCCC1(C)C ZINC000516936246 333086960 /nfs/dbraw/zinc/08/69/60/333086960.db2.gz CBFGMNDRDLWJJG-GJZGRUSLSA-N 0 1 278.440 2.920 20 30 CFEDMN Cc1cccnc1C(C)(C)CNC[C@@H](C#N)CCC#N ZINC000517268143 333096503 /nfs/dbraw/zinc/09/65/03/333096503.db2.gz BPOSOVBGDLZVGR-CQSZACIVSA-N 0 1 270.380 2.701 20 30 CFEDMN C#CCNC(=O)[C@@H](C)N[C@H](C)c1oc2ccccc2c1C ZINC000183570800 333121277 /nfs/dbraw/zinc/12/12/77/333121277.db2.gz RNNLHBFEDQGYLI-CHWSQXEVSA-N 0 1 284.359 2.530 20 30 CFEDMN CCC(CC)CN(CCC#N)C[C@H](O)CC(F)(F)F ZINC000189499615 333193724 /nfs/dbraw/zinc/19/37/24/333193724.db2.gz VBLSMWMASKYJMY-GFCCVEGCSA-N 0 1 280.334 2.952 20 30 CFEDMN C[N@H+]1CC[C@H](C(=O)N[C@H](C#N)c2ccc(C(C)(C)C)cc2)C1 ZINC000522138145 333248591 /nfs/dbraw/zinc/24/85/91/333248591.db2.gz GBRPRSWRGJHQQI-GOEBONIOSA-N 0 1 299.418 2.617 20 30 CFEDMN C=C[C@@H](C)ONC(=O)[C@H]1Cc2c1cccc2Cl ZINC000529513477 333492289 /nfs/dbraw/zinc/49/22/89/333492289.db2.gz RWXFMAAYVWINFQ-KCJUWKMLSA-N 0 1 251.713 2.602 20 30 CFEDMN C[C@@H](C(=O)N1C[C@H](C)C[C@@H](C)C1)N1CCC(CC#N)CC1 ZINC000541019574 333759343 /nfs/dbraw/zinc/75/93/43/333759343.db2.gz JNMFGCUSSHTRPJ-KFWWJZLASA-N 0 1 291.439 2.505 20 30 CFEDMN C=CCC[C@H](NC(=O)CCc1nc[nH]n1)c1ccccc1 ZINC000133852783 334064681 /nfs/dbraw/zinc/06/46/81/334064681.db2.gz WOHAEGJNIAGWBE-AWEZNQCLSA-N 0 1 284.363 2.561 20 30 CFEDMN CC(C)(CNC[C@H](C#N)CCC#N)c1ccc2c(c1)OCO2 ZINC000548788334 334173995 /nfs/dbraw/zinc/17/39/95/334173995.db2.gz JMIHMYSZYITKML-ZDUSSCGKSA-N 0 1 299.374 2.726 20 30 CFEDMN CC1CC(C#N)(C(=O)Nc2ccc3nc(N(C)C)[nH]c3c2)C1 ZINC000549374343 334191526 /nfs/dbraw/zinc/19/15/26/334191526.db2.gz XWYFHNDNKASCKP-UHFFFAOYSA-N 0 1 297.362 2.507 20 30 CFEDMN C[C@@H]1C[C@@H](c2ccccc2)N(CC(=O)NC2(C#N)CCC2)C1 ZINC000552024659 334277899 /nfs/dbraw/zinc/27/78/99/334277899.db2.gz BZUIQJLDXJWNSI-ZBFHGGJFSA-N 0 1 297.402 2.632 20 30 CFEDMN N#CCC[C@H](C#N)CN1CC[C@@H](COCc2ccccc2)C1 ZINC000247348005 334279477 /nfs/dbraw/zinc/27/94/77/334279477.db2.gz GNMPIPCWHROHJW-QZTJIDSGSA-N 0 1 297.402 2.969 20 30 CFEDMN N#CCC[C@H](C#N)CN1CC[C@H](COCc2ccccc2)C1 ZINC000247347999 334279594 /nfs/dbraw/zinc/27/95/94/334279594.db2.gz GNMPIPCWHROHJW-MSOLQXFVSA-N 0 1 297.402 2.969 20 30 CFEDMN C[C@@H](CC#N)N(C)C[C@@]1(C)CCN(C(=O)OC(C)(C)C)C1 ZINC000248662181 334312208 /nfs/dbraw/zinc/31/22/08/334312208.db2.gz GJMLAOGQVHJISO-XJKSGUPXSA-N 0 1 295.427 2.867 20 30 CFEDMN C[C@H]1CN(CC#Cc2ccc(C(F)(F)F)cc2)CC[C@H]1O ZINC000249566740 334336879 /nfs/dbraw/zinc/33/68/79/334336879.db2.gz NEHWNIGVYQMFEF-SWLSCSKDSA-N 0 1 297.320 2.760 20 30 CFEDMN N#CC(C(=O)c1cnc([C@H]2CCCO2)s1)c1ccccn1 ZINC000089966712 334354528 /nfs/dbraw/zinc/35/45/28/334354528.db2.gz UGHDNAFMVWPSID-CMPLNLGQSA-N 0 1 299.355 2.880 20 30 CFEDMN CC[C@@H](CC#N)NC(=O)c1cccc(C(F)(F)F)c1O ZINC000565785412 334597098 /nfs/dbraw/zinc/59/70/98/334597098.db2.gz QLWDKTAHVZRZRS-QMMMGPOBSA-N 0 1 286.253 2.833 20 30 CFEDMN CC[C@H]1CO[C@@H](C)CN1Cc1ccc(CC#N)cc1 ZINC000342688621 335185660 /nfs/dbraw/zinc/18/56/60/335185660.db2.gz BNUCIUPXKVKJQQ-BBRMVZONSA-N 0 1 258.365 2.752 20 30 CFEDMN CC(C)[C@H](C#N)NC(=O)c1cccc(C(F)(F)F)c1O ZINC000577623897 335380874 /nfs/dbraw/zinc/38/08/74/335380874.db2.gz BNYRJSKUUVRMHW-JTQLQIEISA-N 0 1 286.253 2.689 20 30 CFEDMN Cn1cc(CN2CCC(C#N)CC2)c(-c2ccccc2)n1 ZINC000179924796 335532538 /nfs/dbraw/zinc/53/25/38/335532538.db2.gz XDHNVFNHHOOWRM-UHFFFAOYSA-N 0 1 280.375 2.823 20 30 CFEDMN CC1CCC(NC(=O)CN2CCC(CCC#N)CC2)CC1 ZINC000581128759 336012319 /nfs/dbraw/zinc/01/23/19/336012319.db2.gz AWOTYNHMJWLWKE-UHFFFAOYSA-N 0 1 291.439 2.697 20 30 CFEDMN Cc1cc(F)ccc1N1CCC[C@H](NCCC#N)C1 ZINC000581483660 336087148 /nfs/dbraw/zinc/08/71/48/336087148.db2.gz CKIDXAKGBFLCQH-AWEZNQCLSA-N 0 1 261.344 2.606 20 30 CFEDMN C=C(C)C[N@H+](CC)Cc1ccc(C(=O)[O-])c(F)c1 ZINC000382498473 336091679 /nfs/dbraw/zinc/09/16/79/336091679.db2.gz MRFQUQVFHJJWIJ-UHFFFAOYSA-N 0 1 251.301 2.922 20 30 CFEDMN CC(C)n1nccc1CN1CCC(CCC#N)CC1 ZINC000581664989 336120613 /nfs/dbraw/zinc/12/06/13/336120613.db2.gz NMKJAWSTODPCDC-UHFFFAOYSA-N 0 1 260.385 2.980 20 30 CFEDMN C=CCCN1CC[C@H]1CN(C)C(=O)c1sccc1F ZINC001085583357 782107416 /nfs/dbraw/zinc/10/74/16/782107416.db2.gz HDLKEVXBIALWRJ-NSHDSACASA-N 0 1 282.384 2.610 20 30 CFEDMN C=C(C)CN1CC[C@H]1CN(C)C(=O)[C@@H]1CCC(F)(F)C1 ZINC001085633622 782122342 /nfs/dbraw/zinc/12/23/42/782122342.db2.gz WRJSNQURSNIKKQ-OLZOCXBDSA-N 0 1 286.366 2.531 20 30 CFEDMN C=C(C)CN1CC[C@H]1CN(C)C(=O)[C@H]1CCCC12CC2 ZINC001085667149 782128760 /nfs/dbraw/zinc/12/87/60/782128760.db2.gz ALDSWTLLPHKDBD-LSDHHAIUSA-N 0 1 276.424 2.676 20 30 CFEDMN C=CCC[N@@H+]1CC[C@H]1CN(C)C(=O)[C@@H]1C[C@@H]2CCCC[C@H]12 ZINC001085740049 782150316 /nfs/dbraw/zinc/15/03/16/782150316.db2.gz GIKVHSUCRKYFQS-LUKYLMHMSA-N 0 1 290.451 2.922 20 30 CFEDMN Cc1cc(C2CCN(c3ncc(C#N)cc3F)CC2)[nH]n1 ZINC000413236999 534144800 /nfs/dbraw/zinc/14/48/00/534144800.db2.gz GZRWOEGJZOOWQZ-UHFFFAOYSA-N 0 1 285.326 2.508 20 30 CFEDMN CC(C)[C@@H]1CN(Cc2ccc(C#N)c(F)c2)CCCO1 ZINC000336318690 519804713 /nfs/dbraw/zinc/80/47/13/519804713.db2.gz WIPTXFLIFWEBJP-INIZCTEOSA-N 0 1 276.355 2.944 20 30 CFEDMN CCCN1CCN(c2ccc(C(F)(F)F)c(C#N)n2)CC1 ZINC000337905795 519860267 /nfs/dbraw/zinc/86/02/67/519860267.db2.gz BVILANMTTVPOQI-UHFFFAOYSA-N 0 1 298.312 2.504 20 30 CFEDMN CCN(CC(=O)NCC1CCC1)[C@H](C)c1ccc(C#N)cc1 ZINC000066494789 520333218 /nfs/dbraw/zinc/33/32/18/520333218.db2.gz KTBXHECDLHHGHN-CQSZACIVSA-N 0 1 299.418 2.857 20 30 CFEDMN Cc1ccc2[nH]c(CN[C@H]3CC[C@@H](C#N)C3)nc2c1 ZINC000336170645 534504908 /nfs/dbraw/zinc/50/49/08/534504908.db2.gz UXMFSFTVROTGSE-NEPJUHHUSA-N 0 1 254.337 2.653 20 30 CFEDMN Cc1ccc2nc(CN[C@H]3CC[C@@H](C#N)C3)[nH]c2c1 ZINC000336170645 534504916 /nfs/dbraw/zinc/50/49/16/534504916.db2.gz UXMFSFTVROTGSE-NEPJUHHUSA-N 0 1 254.337 2.653 20 30 CFEDMN N#CC1(CN2C[C@H](CO)[C@@H](c3ccc(Cl)cc3)C2)CC1 ZINC000352756482 534550225 /nfs/dbraw/zinc/55/02/25/534550225.db2.gz CZANHKINMNXLBG-UKRRQHHQSA-N 0 1 290.794 2.651 20 30 CFEDMN CCOc1ccc2nc(Sc3ccc(C#N)nn3)[nH]c2c1 ZINC000156679599 521307551 /nfs/dbraw/zinc/30/75/51/521307551.db2.gz KQXJEOWLTFPSCF-UHFFFAOYSA-N 0 1 297.343 2.774 20 30 CFEDMN CC[C@H](C)c1nc([C@@H](C)NC(=O)c2ccc(C#N)cc2)n[nH]1 ZINC000276839158 522054262 /nfs/dbraw/zinc/05/42/62/522054262.db2.gz AKRZDJXMZHTFNY-WDEREUQCSA-N 0 1 297.362 2.681 20 30 CFEDMN CN(Cc1cc(F)ccc1C#N)[C@@H]1[C@H]2CCO[C@@H]2C1(C)C ZINC000160569137 523179962 /nfs/dbraw/zinc/17/99/62/523179962.db2.gz MJRGXXCZAKSOQN-OAGGEKHMSA-N 0 1 288.366 2.943 20 30 CFEDMN CC[C@@H]1CCCC[C@H]1C(=O)N=c1[nH]n(C(C)C)cc1C#N ZINC000361762486 523209617 /nfs/dbraw/zinc/20/96/17/523209617.db2.gz BEVGQXKSJJQBGH-TZMCWYRMSA-N 0 1 288.395 2.912 20 30 CFEDMN CCn1cc(CN[C@@H](C)c2ccc(C#N)cc2)cn1 ZINC000050539566 523385554 /nfs/dbraw/zinc/38/55/54/523385554.db2.gz VNHBWHXDZNYABQ-LBPRGKRZSA-N 0 1 254.337 2.625 20 30 CFEDMN COCCN(Cc1cc(C#N)n(C)c1)Cc1cccs1 ZINC000361496706 523740856 /nfs/dbraw/zinc/74/08/56/523740856.db2.gz MNDNIODKKOUCJC-UHFFFAOYSA-N 0 1 289.404 2.607 20 30 CFEDMN N#CCc1cccc(NC(=O)N[C@@H]2CCCc3cn[nH]c32)c1 ZINC000334981647 534733421 /nfs/dbraw/zinc/73/34/21/534733421.db2.gz GXAHWINFBSIDHU-CQSZACIVSA-N 0 1 295.346 2.675 20 30 CFEDMN COC(=O)[C@@H]1C[C@@H]2CCCC[C@@H]2N1Cc1ccc(C#N)cc1 ZINC000052689267 523785858 /nfs/dbraw/zinc/78/58/58/523785858.db2.gz UXGNNXNHRJWXHK-ULQDDVLXSA-N 0 1 298.386 2.864 20 30 CFEDMN CCc1ccc([C@@H](CO)NCc2ccc(C#N)cc2)cc1 ZINC000305260599 524030227 /nfs/dbraw/zinc/03/02/27/524030227.db2.gz NZKHRZSYKJELPZ-GOSISDBHSA-N 0 1 280.371 2.944 20 30 CFEDMN O=C(N[C@@H]1CCCc2cn[nH]c21)N(CC1CC1)CC1CC1 ZINC000330144840 534762509 /nfs/dbraw/zinc/76/25/09/534762509.db2.gz RYECFOOEDAUSFQ-CQSZACIVSA-N 0 1 288.395 2.823 20 30 CFEDMN C[C@]1(O)CCCN(Cc2ccc(C#N)cc2Cl)CC1 ZINC000230352498 525307828 /nfs/dbraw/zinc/30/78/28/525307828.db2.gz SZDSGPOMFFSAKO-HNNXBMFYSA-N 0 1 278.783 2.949 20 30 CFEDMN Cc1cc(S(=O)(=O)Nc2ccsc2)ccc1C#N ZINC000235903101 525423938 /nfs/dbraw/zinc/42/39/38/525423938.db2.gz RDRGVWVFEKSREZ-UHFFFAOYSA-N 0 1 278.358 2.729 20 30 CFEDMN Cc1c(C#N)cccc1C(=O)N1C[C@@H]2CCCCN2C[C@@H]1C ZINC000337852362 525538357 /nfs/dbraw/zinc/53/83/57/525538357.db2.gz JVTZLVMWGLPZFT-BBRMVZONSA-N 0 1 297.402 2.566 20 30 CFEDMN Cc1cc2cn[nH]c2c(C(=O)Nc2cccc(C#N)c2)c1 ZINC000338643671 525633549 /nfs/dbraw/zinc/63/35/49/525633549.db2.gz YJSCFCZETDGQGC-UHFFFAOYSA-N 0 1 276.299 2.995 20 30 CFEDMN Cc1c([C@H](C)NCc2ccc(C#N)c(F)c2)cnn1C ZINC000192180919 525919305 /nfs/dbraw/zinc/91/93/05/525919305.db2.gz FKJUFUKRYJYIQH-JTQLQIEISA-N 0 1 272.327 2.590 20 30 CFEDMN Cc1cc(C#N)cc(NC(=O)C(C)(C)c2cnc[nH]2)c1 ZINC000335111657 526181274 /nfs/dbraw/zinc/18/12/74/526181274.db2.gz FYGPZIHEIXTYIY-UHFFFAOYSA-N 0 1 268.320 2.506 20 30 CFEDMN C[C@H]1CCCCCN1CC(=O)Nc1cccc(C#N)c1 ZINC000070409576 526239375 /nfs/dbraw/zinc/23/93/75/526239375.db2.gz UFGXZHJXTJBAQV-ZDUSSCGKSA-N 0 1 271.364 2.761 20 30 CFEDMN C=CCN(Cc1ccc(Cl)s1)C[C@@H](O)COCC ZINC000113498766 526336907 /nfs/dbraw/zinc/33/69/07/526336907.db2.gz SNZKEYAWFATIBZ-LLVKDONJSA-N 0 1 289.828 2.787 20 30 CFEDMN N#Cc1c(F)cccc1CN1CCC[C@@H]2COCC[C@H]21 ZINC000336111901 526523184 /nfs/dbraw/zinc/52/31/84/526523184.db2.gz OOYOAEYLUAFIKS-CZUORRHYSA-N 0 1 274.339 2.698 20 30 CFEDMN N#Cc1cc(CN2CC[C@@H](O)CC23CCC3)ccc1F ZINC000334990500 526550162 /nfs/dbraw/zinc/55/01/62/526550162.db2.gz XNEUYYCHHPWWLW-CQSZACIVSA-N 0 1 274.339 2.577 20 30 CFEDMN N#Cc1ccc(C[N@@H+]2CCCC[C@H]2CCC(=O)[O-])cc1 ZINC000050924585 526611878 /nfs/dbraw/zinc/61/18/78/526611878.db2.gz OZVCGDZOKAFYLY-HNNXBMFYSA-N 0 1 272.348 2.778 20 30 CFEDMN N#Cc1ccc(F)c(CN[C@@H](CCO)c2ccccc2)c1 ZINC000305774629 526639403 /nfs/dbraw/zinc/63/94/03/526639403.db2.gz MQEJUHWRICGGBZ-KRWDZBQOSA-N 0 1 284.334 2.911 20 30 CFEDMN N#Cc1ccc(NS(=O)(=O)c2cccc(F)c2)cc1F ZINC000307958460 526666084 /nfs/dbraw/zinc/66/60/84/526666084.db2.gz IBEWDXPJKVZLQV-UHFFFAOYSA-N 0 1 294.282 2.637 20 30 CFEDMN N#Cc1cccc(C[N@@H+]2CCCC[C@H]2CCC(=O)[O-])c1 ZINC000050924783 526703154 /nfs/dbraw/zinc/70/31/54/526703154.db2.gz OGEUTTLDKIUUAO-HNNXBMFYSA-N 0 1 272.348 2.778 20 30 CFEDMN C=CCOCCCN(C)Cc1ccccc1[N+](=O)[O-] ZINC000347967530 526748357 /nfs/dbraw/zinc/74/83/57/526748357.db2.gz OZAWRIGCGRXWRZ-UHFFFAOYSA-N 0 1 264.325 2.619 20 30 CFEDMN N#Cc1ccsc1NC(=O)CN1CC[C@@H]2CCCC[C@@H]21 ZINC000159662090 526770924 /nfs/dbraw/zinc/77/09/24/526770924.db2.gz WZRFGEMJVQAKSW-AAEUAGOBSA-N 0 1 289.404 2.823 20 30 CFEDMN CC(C)(C)c1nc(CNc2cccc(F)c2C#N)n[nH]1 ZINC000413414911 526848134 /nfs/dbraw/zinc/84/81/34/526848134.db2.gz HFWSGDRFPGUOCE-UHFFFAOYSA-N 0 1 273.315 2.725 20 30 CFEDMN C=C(CNC(=O)NCCN1CC=C(C)CC1)c1ccccc1 ZINC000355089177 526870276 /nfs/dbraw/zinc/87/02/76/526870276.db2.gz IIJMJJBYNGEJBH-UHFFFAOYSA-N 0 1 299.418 2.651 20 30 CFEDMN C=CC[C@H](CC)NS(=O)(=O)c1c(F)cc(F)cc1F ZINC000353168970 527163317 /nfs/dbraw/zinc/16/33/17/527163317.db2.gz NMGQVNVPYJGXEW-VIFPVBQESA-N 0 1 293.310 2.737 20 30 CFEDMN Cn1cc(CN2CCC[C@H](Oc3ccccc3)C2)cc1C#N ZINC000364844240 527201377 /nfs/dbraw/zinc/20/13/77/527201377.db2.gz PQHQSTLDHYJZKW-SFHVURJKSA-N 0 1 295.386 2.940 20 30 CFEDMN CC(C)c1nc([C@@H](C)Nc2ncc(C#N)cc2F)n[nH]1 ZINC000413214555 528302583 /nfs/dbraw/zinc/30/25/83/528302583.db2.gz MEUDMHBVWUJDIH-MRVPVSSYSA-N 0 1 274.303 2.507 20 30 CFEDMN CC(C)C[C@@H]1CCN(CC(=O)Nc2ccc(C#N)cc2)C1 ZINC000174192351 528389088 /nfs/dbraw/zinc/38/90/88/528389088.db2.gz DXWDGTQJOXUOHG-HNNXBMFYSA-N 0 1 285.391 2.865 20 30 CFEDMN CCOC(=O)CC(C)(C)CCN(C)[C@H](C)CC#N ZINC000347057435 528661511 /nfs/dbraw/zinc/66/15/11/528661511.db2.gz OWNMEKAZCSHONW-GFCCVEGCSA-N 0 1 254.374 2.590 20 30 CFEDMN CCC(CC)n1nc(C)cc1C(=O)C(C#N)c1ccncn1 ZINC000354464805 528906014 /nfs/dbraw/zinc/90/60/14/528906014.db2.gz JHHFDOAZGSNNJY-CYBMUJFWSA-N 0 1 297.362 2.833 20 30 CFEDMN CC[C@@H](C(=O)N(CC)CCC#N)N(C)Cc1ccccc1 ZINC000354888423 529273239 /nfs/dbraw/zinc/27/32/39/529273239.db2.gz WUJPQMPCOVLOHL-INIZCTEOSA-N 0 1 287.407 2.659 20 30 CFEDMN CN(Cc1cc(C(C)(C)C)[nH]n1)Cc1ccc(C#N)o1 ZINC000447069738 536455863 /nfs/dbraw/zinc/45/58/63/536455863.db2.gz UCSNIXXOLKOMCJ-UHFFFAOYSA-N 0 1 272.352 2.804 20 30 CFEDMN COc1cc(C#N)ccc1CN1CC2(CCC2)[C@H]2COC[C@H]21 ZINC000459672307 536878691 /nfs/dbraw/zinc/87/86/91/536878691.db2.gz LFBWBPVSDOFUED-JKSUJKDBSA-N 0 1 298.386 2.568 20 30 CFEDMN C=C(C)CN1CC[C@H]1CN(C)C(=O)c1cc(C)cc(F)c1 ZINC001085835156 782180463 /nfs/dbraw/zinc/18/04/63/782180463.db2.gz DJYGEFMCKISQSY-INIZCTEOSA-N 0 1 290.382 2.857 20 30 CFEDMN CC(C)CC[N@@H+](C)[C@@H](C(=O)[O-])c1ccc(C#N)cc1 ZINC000736426986 574051749 /nfs/dbraw/zinc/05/17/49/574051749.db2.gz PKMUKXVTACOXQW-CQSZACIVSA-N 0 1 260.337 2.662 20 30 CFEDMN Cc1cc(C)c(C=NNC2=N[C@H]3CCCC[C@@H]3N2)c(C)c1 ZINC000753929081 574055396 /nfs/dbraw/zinc/05/53/96/574055396.db2.gz NWHQXMHJMJJZOU-HOTGVXAUSA-N 0 1 284.407 2.806 20 30 CFEDMN Cc1ccc2c(C=NNC3=N[C@H]4CCCC[C@@H]4N3)c[nH]c2c1 ZINC000753937250 574056667 /nfs/dbraw/zinc/05/66/67/574056667.db2.gz DAIHXCWVJHAKHC-GJZGRUSLSA-N 0 1 295.390 2.670 20 30 CFEDMN CC(=NNC1=N[C@H]2CCCC[C@@H]2N1)c1cc(C)sc1C ZINC000753937258 574056877 /nfs/dbraw/zinc/05/68/77/574056877.db2.gz DEVWVYZBEBGETM-KBPBESRZSA-N 0 1 290.436 2.949 20 30 CFEDMN COc1ccccc1CC=CN=NC1=N[C@@H]2CCCC[C@H]2N1 ZINC000753940305 574057255 /nfs/dbraw/zinc/05/72/55/574057255.db2.gz UCRYWKQNETVSOM-HBNDZLCVSA-N 0 1 298.390 2.554 20 30 CFEDMN Clc1ccccc1C=NNC1=N[C@@H]2CCCC[C@@H]2N1 ZINC000753940760 574057265 /nfs/dbraw/zinc/05/72/65/574057265.db2.gz VJJCFTDZZVWRPA-BETUJISGSA-N 0 1 276.771 2.534 20 30 CFEDMN CCN(CC)c1ncc(C=NNC2CCCC2)s1 ZINC000727652534 574058923 /nfs/dbraw/zinc/05/89/23/574058923.db2.gz QVPASCOXYKLZTJ-UHFFFAOYSA-N 0 1 266.414 2.855 20 30 CFEDMN C[C@H](CC#N)[N@@H+](C)Cc1c(O)c(C(=O)[O-])cc2ccccc21 ZINC000736540003 574059073 /nfs/dbraw/zinc/05/90/73/574059073.db2.gz BFHNVCLCEPSWEF-LLVKDONJSA-N 0 1 298.342 2.978 20 30 CFEDMN N#CC(C(=O)[C@H]1CCCOC1)c1ccc2ccccc2n1 ZINC000727952835 574074674 /nfs/dbraw/zinc/07/46/74/574074674.db2.gz SPZGYCNNHUTZBJ-UONOGXRCSA-N 0 1 280.327 2.838 20 30 CFEDMN Clc1cscc1C=NNC1=N[C@H]2CCCC[C@@H]2N1 ZINC000753931457 574082255 /nfs/dbraw/zinc/08/22/55/574082255.db2.gz ZEHLOIYCWJNPIX-QWRGUYRKSA-N 0 1 282.800 2.595 20 30 CFEDMN COCCOc1ccc(C=NNc2ccc(C)cn2)cc1 ZINC000730462959 574082261 /nfs/dbraw/zinc/08/22/61/574082261.db2.gz UBPYLMVZOHNGPM-UHFFFAOYSA-N 0 1 285.347 2.861 20 30 CFEDMN Clc1cccc(C=NNC2=N[C@H]3CCCC[C@@H]3N2)c1 ZINC000753933852 574082413 /nfs/dbraw/zinc/08/24/13/574082413.db2.gz DGHFQSJBNXMBQB-STQMWFEESA-N 0 1 276.771 2.534 20 30 CFEDMN C=CC[N@@H+](Cc1ccccc1)C[C@@H]1CCN(C(=O)[O-])C1 ZINC000738493194 574095311 /nfs/dbraw/zinc/09/53/11/574095311.db2.gz YOUWJFJSOIVNLB-HNNXBMFYSA-N 0 1 274.364 2.675 20 30 CFEDMN C=CCC[N@@H+]1CCCC[C@@H]1[C@@H]1CCCN1C(=O)[O-] ZINC000738493660 574095785 /nfs/dbraw/zinc/09/57/85/574095785.db2.gz PCOCFOTZBDMSDO-OLZOCXBDSA-N 0 1 252.358 2.559 20 30 CFEDMN CCC[N@@H+](CC(=O)[O-])Cc1cc(Cl)ccc1OCC#N ZINC000737014392 574097548 /nfs/dbraw/zinc/09/75/48/574097548.db2.gz JAPKKDLWLRHMJS-UHFFFAOYSA-N 0 1 296.754 2.539 20 30 CFEDMN Cc1ccc2c(c1)C(=NNCCN1CCCCC1)CC2 ZINC000730947959 574104906 /nfs/dbraw/zinc/10/49/06/574104906.db2.gz QRQPRIHDKWQMKR-UHFFFAOYSA-N 0 1 271.408 2.721 20 30 CFEDMN C=C[C@H](CC(=O)OCc1n[nH]c(CC)n1)c1ccccc1 ZINC000754864624 574125671 /nfs/dbraw/zinc/12/56/71/574125671.db2.gz FSZCPKKSJASJRF-GFCCVEGCSA-N 0 1 285.347 2.770 20 30 CFEDMN CCN(CC)c1ccc(C=NNCC(F)F)cc1 ZINC000740617318 574127771 /nfs/dbraw/zinc/12/77/71/574127771.db2.gz GODSEBGNAWVKSF-UHFFFAOYSA-N 0 1 255.312 2.721 20 30 CFEDMN Cc1cc(=NN=Cc2cc3ccccc3o2)nc[nH]1 ZINC000731934609 574134930 /nfs/dbraw/zinc/13/49/30/574134930.db2.gz DVSWRKKZTPINLB-UHFFFAOYSA-N 0 1 252.277 2.977 20 30 CFEDMN CC(=NNc1ccccc1S(C)(=O)=O)c1ccc(C)o1 ZINC000731933944 574135223 /nfs/dbraw/zinc/13/52/23/574135223.db2.gz UQRHYLBMDAVDTL-UHFFFAOYSA-N 0 1 292.360 2.828 20 30 CFEDMN Cc1cc(NN=Cc2ccnc3ccccc23)ncn1 ZINC000731935543 574135694 /nfs/dbraw/zinc/13/56/94/574135694.db2.gz FGYYKOGQLPXRJX-UHFFFAOYSA-N 0 1 263.304 2.779 20 30 CFEDMN CC(C)(C)CN(CC(=O)NCCC#N)Cc1ccccc1 ZINC000728929770 574139093 /nfs/dbraw/zinc/13/90/93/574139093.db2.gz WYNSYDRUOIECCP-UHFFFAOYSA-N 0 1 287.407 2.565 20 30 CFEDMN C[N@@H+](CC(C)(C)C)[C@@H](C(=O)[O-])c1ccc(C#N)cc1 ZINC000737409843 574139128 /nfs/dbraw/zinc/13/91/28/574139128.db2.gz ZWIJMGZBABSZRL-CYBMUJFWSA-N 0 1 260.337 2.662 20 30 CFEDMN C[N@@H+](Cc1ccc(C#N)cc1)[C@H](C(=O)[O-])c1ccccc1 ZINC000737450754 574142030 /nfs/dbraw/zinc/14/20/30/574142030.db2.gz ATMNWLUGEYSEGS-INIZCTEOSA-N 0 1 280.327 2.816 20 30 CFEDMN C=CC1CCN(CC(=O)N[C@@H](C)CCCCC)CC1 ZINC000732206304 574146227 /nfs/dbraw/zinc/14/62/27/574146227.db2.gz ZDUWTKHAGJYAGT-AWEZNQCLSA-N 0 1 266.429 2.969 20 30 CFEDMN C#CCNCC(=O)N[C@H](CC(C)(C)C)c1ccc(F)cc1 ZINC000746513085 574152670 /nfs/dbraw/zinc/15/26/70/574152670.db2.gz DHSVRBNYEWVUCQ-OAHLLOKOSA-N 0 1 290.382 2.642 20 30 CFEDMN Cc1cc(C(C#N)C(=O)CC[C@@H]2CCCCO2)nc(C)n1 ZINC000732495131 574158597 /nfs/dbraw/zinc/15/85/97/574158597.db2.gz RDTWRTKXQMXXAB-KBPBESRZSA-N 0 1 287.363 2.619 20 30 CFEDMN O=[N+]([O-])c1ccccc1NN=Cc1ccc2c[nH]nc2c1 ZINC000755465263 574163414 /nfs/dbraw/zinc/16/34/14/574163414.db2.gz GIORLTFJEPHGPJ-UHFFFAOYSA-N 0 1 281.275 2.917 20 30 CFEDMN O=[N+]([O-])c1cc(C(F)(F)F)ccc1N=NCc1cnc[nH]1 ZINC000755488451 574165288 /nfs/dbraw/zinc/16/52/88/574165288.db2.gz ONPOHXXZWYEVNS-UHFFFAOYSA-N 0 1 299.212 2.783 20 30 CFEDMN CC(C)n1cc(C=NNc2nc3ccccc3[nH]2)cn1 ZINC000732709979 574166730 /nfs/dbraw/zinc/16/67/30/574166730.db2.gz AVWGJSGXRWJQCX-UHFFFAOYSA-N 0 1 268.324 2.786 20 30 CFEDMN C[C@@H]1CCCC[C@@H]1CC(=O)C(C#N)C(=O)Nc1ccccn1 ZINC000747020808 574175667 /nfs/dbraw/zinc/17/56/67/574175667.db2.gz JBNPBSKDNCLJGI-MGPQQGTHSA-N 0 1 299.374 2.945 20 30 CFEDMN COc1cccc(OC)c1CN=Nc1ccc(C)cn1 ZINC000755689077 574178097 /nfs/dbraw/zinc/17/80/97/574178097.db2.gz LVQWUWPAURAYNT-UHFFFAOYSA-N 0 1 271.320 2.853 20 30 CFEDMN Cc1ccc(NN=Cc2c(O)cccc2Cl)nn1 ZINC000755700934 574179222 /nfs/dbraw/zinc/17/92/22/574179222.db2.gz WUDJPSDKPFLFIS-UHFFFAOYSA-N 0 1 262.700 2.590 20 30 CFEDMN C[C@@H]1CCC[C@H](CC(=O)[C@H](C#N)C(=O)NC2CCCC2)C1 ZINC000747106820 574179810 /nfs/dbraw/zinc/17/98/10/574179810.db2.gz ZVEAGMBLPRHTSY-IPYPFGDCSA-N 0 1 290.407 2.970 20 30 CFEDMN CC(C)Cc1ccc(C=NNc2ncnc3[nH]cnc32)cc1 ZINC000755890722 574194444 /nfs/dbraw/zinc/19/44/44/574194444.db2.gz POZRCIQHUBBRSA-UHFFFAOYSA-N 0 1 294.362 2.997 20 30 CFEDMN Cc1ccnc(NN=Cc2cccc(OCC#N)c2)c1 ZINC000755902449 574195701 /nfs/dbraw/zinc/19/57/01/574195701.db2.gz MGDHEDNCUWWSDT-UHFFFAOYSA-N 0 1 266.304 2.738 20 30 CFEDMN COc1cccc(CN=Nc2cc(C)ccn2)c1O ZINC000755905716 574196330 /nfs/dbraw/zinc/19/63/30/574196330.db2.gz JKCVALJABQNIAG-UHFFFAOYSA-N 0 1 257.293 2.550 20 30 CFEDMN CCCCCCNC(=O)C(C#N)C(=O)[C@H]1CC12CCCC2 ZINC000747477982 574197461 /nfs/dbraw/zinc/19/74/61/574197461.db2.gz DDJOYFJPGVOBOI-UONOGXRCSA-N 0 1 290.407 2.972 20 30 CFEDMN CCCCCCNC(=O)C(C#N)C(=O)[C@@H]1CC12CCCC2 ZINC000747477980 574197511 /nfs/dbraw/zinc/19/75/11/574197511.db2.gz DDJOYFJPGVOBOI-KGLIPLIRSA-N 0 1 290.407 2.972 20 30 CFEDMN N#Cc1ccc([C@@H](C(=O)[O-])[N@H+]2CC[C@H](c3ccco3)C2)cc1 ZINC000739105931 574198790 /nfs/dbraw/zinc/19/87/90/574198790.db2.gz OQWFCDDZOHCAPP-HOCLYGCPSA-N 0 1 296.326 2.766 20 30 CFEDMN N#Cc1ccc([C@H](C(=O)[O-])[N@H+]2CC[C@@H](c3ccco3)C2)cc1 ZINC000739105929 574198958 /nfs/dbraw/zinc/19/89/58/574198958.db2.gz OQWFCDDZOHCAPP-GDBMZVCRSA-N 0 1 296.326 2.766 20 30 CFEDMN N#Cc1ccc(C[N@H+](CC(=O)[O-])C2CCCCC2)cc1 ZINC000739116685 574199100 /nfs/dbraw/zinc/19/91/00/574199100.db2.gz CLANCPUJAQQCFN-UHFFFAOYSA-N 0 1 272.348 2.778 20 30 CFEDMN C=CCOc1cccc(CNC[C@H](OC)C(F)(F)F)c1 ZINC000733328819 574221799 /nfs/dbraw/zinc/22/17/99/574221799.db2.gz DOAKZQWDKKNSIB-ZDUSSCGKSA-N 0 1 289.297 2.918 20 30 CFEDMN CC(Cc1cccs1)=NNCCN1CCCCC1 ZINC000729637012 574225053 /nfs/dbraw/zinc/22/50/53/574225053.db2.gz FXONSMQGEWERLC-UHFFFAOYSA-N 0 1 265.426 2.742 20 30 CFEDMN CC/C=C(/C)C(=O)OCC(=O)[C@H](C#N)c1nc(C)cs1 ZINC000729701954 574229771 /nfs/dbraw/zinc/22/97/71/574229771.db2.gz PIOYTXTWDUXGDT-GWZUUTHWSA-N 0 1 292.360 2.527 20 30 CFEDMN CC/C=C(/C)C(=O)OCC(=O)C(C#N)c1nc(C)cs1 ZINC000729701954 574229775 /nfs/dbraw/zinc/22/97/75/574229775.db2.gz PIOYTXTWDUXGDT-GWZUUTHWSA-N 0 1 292.360 2.527 20 30 CFEDMN C#CCN1CCC[C@H]1COC(=O)CC1=CCCCC1 ZINC000756544639 574245463 /nfs/dbraw/zinc/24/54/63/574245463.db2.gz VLQBKLBGMQGNGB-HNNXBMFYSA-N 0 1 261.365 2.518 20 30 CFEDMN C#CCN1CCC[C@@H]1COC(=O)C[C@H](C)c1ccccc1 ZINC000756556524 574246899 /nfs/dbraw/zinc/24/68/99/574246899.db2.gz VNQRNLKUMVEHCH-DOTOQJQBSA-N 0 1 285.387 2.821 20 30 CFEDMN C#CCN1CCC[C@H]1COC(=O)C[C@H](C)c1ccccc1 ZINC000756556533 574247023 /nfs/dbraw/zinc/24/70/23/574247023.db2.gz VNQRNLKUMVEHCH-RDJZCZTQSA-N 0 1 285.387 2.821 20 30 CFEDMN C#CCN1CCC[C@@H]1COC(=O)[C@@H](C)c1cccc(F)c1 ZINC000756556787 574247042 /nfs/dbraw/zinc/24/70/42/574247042.db2.gz XJVZQBKJTFHDOF-XJKSGUPXSA-N 0 1 289.350 2.570 20 30 CFEDMN C#CCN1CCC[C@H]1COC(=O)[C@H](C)c1cccc(F)c1 ZINC000756556778 574247279 /nfs/dbraw/zinc/24/72/79/574247279.db2.gz XJVZQBKJTFHDOF-CJNGLKHVSA-N 0 1 289.350 2.570 20 30 CFEDMN Oc1cccc(CN=Nc2cnnc3ccccc23)c1 ZINC000733748468 574254659 /nfs/dbraw/zinc/25/46/59/574254659.db2.gz YUHBKJUDTRTNCD-UHFFFAOYSA-N 0 1 264.288 2.781 20 30 CFEDMN C(=NNc1cnnc2ccccc21)c1cn2ccccc2n1 ZINC000733747917 574254676 /nfs/dbraw/zinc/25/46/76/574254676.db2.gz XPWONBHJYISCFV-UHFFFAOYSA-N 0 1 288.314 2.724 20 30 CFEDMN c1cc2n(c1)CCC2N=Nc1ccnc2ccccc12 ZINC000730148566 574256089 /nfs/dbraw/zinc/25/60/89/574256089.db2.gz XJGMLGASSZPPCF-UHFFFAOYSA-N 0 1 262.316 2.678 20 30 CFEDMN CN1Cc2ccccc2[C@@H](/N=C\c2ccccc2O)C1 ZINC000756841465 574267397 /nfs/dbraw/zinc/26/73/97/574267397.db2.gz VFNIPXMMBNMZOA-PMFHANACSA-N 0 1 266.344 2.998 20 30 CFEDMN C#CCN(CC)Cc1cc(=O)oc2cc3c(cc12)CCC3 ZINC000746456922 574271995 /nfs/dbraw/zinc/27/19/95/574271995.db2.gz SDDCAMABBYWOKM-UHFFFAOYSA-N 0 1 281.355 2.737 20 30 CFEDMN CC(C)CCCCCC(=O)C(C#N)C(=O)N1CCCC1 ZINC000749026551 574277179 /nfs/dbraw/zinc/27/71/79/574277179.db2.gz PSLRGWRARYBZAY-AWEZNQCLSA-N 0 1 278.396 2.924 20 30 CFEDMN CC(C)CCCCCC(=O)C(C#N)C(=O)N1CCCC1 ZINC000749026600 574277224 /nfs/dbraw/zinc/27/72/24/574277224.db2.gz PSLRGWRARYBZAY-CQSZACIVSA-N 0 1 278.396 2.924 20 30 CFEDMN C#CCOc1ccccc1C[NH2+]Cc1ccc2nc[nH]c2c1 ZINC000734159703 574277455 /nfs/dbraw/zinc/27/74/55/574277455.db2.gz WOZOMOPCPIFISB-UHFFFAOYSA-N 0 1 291.354 2.865 20 30 CFEDMN C[C@H]1C[N@@H+](Cc2ccccn2)CCC1=NNC1CCCC1 ZINC000734365877 574284006 /nfs/dbraw/zinc/28/40/06/574284006.db2.gz WHLFMLNLRAZMKT-AWEZNQCLSA-N 0 1 286.423 2.812 20 30 CFEDMN C[C@H]1CN(Cc2ccccn2)CCC1=NNC1CCCC1 ZINC000734365877 574284008 /nfs/dbraw/zinc/28/40/08/574284008.db2.gz WHLFMLNLRAZMKT-AWEZNQCLSA-N 0 1 286.423 2.812 20 30 CFEDMN CC(=NN=c1nc[nH]c2sccc21)c1cncs1 ZINC000734744967 574300775 /nfs/dbraw/zinc/30/07/75/574300775.db2.gz FLDPERBUYKZHRM-UHFFFAOYSA-N 0 1 275.362 2.984 20 30 CFEDMN CC(N=Nc1ccc([N+](=O)[O-])cc1Cl)c1cnccn1 ZINC000734748903 574301060 /nfs/dbraw/zinc/30/10/60/574301060.db2.gz YUWMLNVUSHPYMY-UHFFFAOYSA-N 0 1 291.698 2.874 20 30 CFEDMN CCCn1cc(C=NNc2nc3ccccc3[nH]2)cn1 ZINC000734977315 574308472 /nfs/dbraw/zinc/30/84/72/574308472.db2.gz NDADGEYNMGDCGJ-UHFFFAOYSA-N 0 1 268.324 2.615 20 30 CFEDMN CC(Cc1ccc(Br)c(F)c1)=Nn1cnnc1 ZINC000749849450 574312562 /nfs/dbraw/zinc/31/25/62/574312562.db2.gz AWYVXZBCSZJJIA-UHFFFAOYSA-N 0 1 297.131 2.646 20 30 CFEDMN Cn1ccc(CN=Nc2ccc(Br)nc2)c1 ZINC000749860102 574313041 /nfs/dbraw/zinc/31/30/41/574313041.db2.gz VXRACSWZBNCCQR-UHFFFAOYSA-N 0 1 279.141 2.629 20 30 CFEDMN CN(C([O-])=[NH+][C@@H]1CCc2nc(C(C)(C)C)cn2C1)C1CC1 ZINC000329290876 574313276 /nfs/dbraw/zinc/31/32/76/574313276.db2.gz AQKDBASZSIQUDD-LLVKDONJSA-N 0 1 290.411 2.504 20 30 CFEDMN C#CCOc1cccc(NC(=O)CN2[C@H](C)CC[C@@H]2C)c1 ZINC000742252902 574321512 /nfs/dbraw/zinc/32/15/12/574321512.db2.gz PDEUBCDOQMFOBY-OKILXGFUSA-N 0 1 286.375 2.510 20 30 CFEDMN COc1cccc(O)c1CNCc1cc(C#N)ccc1F ZINC000742381715 574326655 /nfs/dbraw/zinc/32/66/55/574326655.db2.gz FLENTESNEDTCOF-UHFFFAOYSA-N 0 1 286.306 2.701 20 30 CFEDMN Cc1cccc2nc([C@H](C#N)C(=O)C3CCC3)[nH]c21 ZINC000735791081 574335330 /nfs/dbraw/zinc/33/53/30/574335330.db2.gz UEBAJLBKFPRWDB-LLVKDONJSA-N 0 1 253.305 2.848 20 30 CFEDMN c1ccc2c(c1)SCCC2=NNc1cccnn1 ZINC000735974612 574345771 /nfs/dbraw/zinc/34/57/71/574345771.db2.gz HNORNBKQQOPSCO-UHFFFAOYSA-N 0 1 256.334 2.789 20 30 CFEDMN N#Cc1ccc(C(=O)C(C#N)C(=O)Nc2ccccc2)s1 ZINC000750683642 574350944 /nfs/dbraw/zinc/35/09/44/574350944.db2.gz HTJZWCOXZAKOBU-LBPRGKRZSA-N 0 1 295.323 2.581 20 30 CFEDMN C=C(Cl)CNC(=O)[C@H](c1ccccc1)N(CC)CC ZINC000736241934 574356265 /nfs/dbraw/zinc/35/62/65/574356265.db2.gz FWNTXDRLQZSHIG-AWEZNQCLSA-N 0 1 280.799 2.938 20 30 CFEDMN C=CCCCCCN(C)CN1C(=O)CC12CCC2 ZINC000743369400 574361269 /nfs/dbraw/zinc/36/12/69/574361269.db2.gz BADPEFTWAHABIF-UHFFFAOYSA-N 0 1 250.386 2.777 20 30 CFEDMN N#Cc1ccc(C=NNc2ccccc2[N+](=O)[O-])o1 ZINC000743418221 574363048 /nfs/dbraw/zinc/36/30/48/574363048.db2.gz XGMYSBSSCPNRIB-UHFFFAOYSA-N 0 1 256.221 2.505 20 30 CFEDMN CC(=NNc1cccc(F)c1F)c1cnn(C)c1 ZINC000743443589 574364953 /nfs/dbraw/zinc/36/49/53/574364953.db2.gz JNJOWOYYQLPCSK-UHFFFAOYSA-N 0 1 250.252 2.534 20 30 CFEDMN Cc1ccnc(NN=Cc2cc(F)c(O)c(F)c2)c1 ZINC000755904072 574365099 /nfs/dbraw/zinc/36/50/99/574365099.db2.gz AMLMVUDXJCQPKB-UHFFFAOYSA-N 0 1 263.247 2.820 20 30 CFEDMN Cc1ccnc(N=NCc2ccc([N+](=O)[O-])cc2)c1 ZINC000755903995 574365122 /nfs/dbraw/zinc/36/51/22/574365122.db2.gz UWBNIQUJOCSMEV-UHFFFAOYSA-N 0 1 256.265 2.744 20 30 CFEDMN C#CCCNC(=O)c1cc(Cl)c2ccccc2c1O ZINC000751068201 574369119 /nfs/dbraw/zinc/36/91/19/574369119.db2.gz JWVAZURONMQMSF-UHFFFAOYSA-N 0 1 273.719 2.952 20 30 CFEDMN O=C(/C=C\c1cc(O)ccc1[N+](=O)[O-])c1ccc(O)cc1 ZINC000751205334 574372018 /nfs/dbraw/zinc/37/20/18/574372018.db2.gz BFAJJHMSJAJINX-BAQGIRSFSA-N 0 1 285.255 2.902 20 30 CFEDMN C#CCN(CC#CC)CCC(=O)Nc1cccc(Cl)c1 ZINC000743852734 574374148 /nfs/dbraw/zinc/37/41/48/574374148.db2.gz CXPIUWSDIJAIFB-UHFFFAOYSA-N 0 1 288.778 2.627 20 30 CFEDMN C#CCCSc1nc(C=Cc2ccc(C)o2)n[nH]1 ZINC000751769485 574382614 /nfs/dbraw/zinc/38/26/14/574382614.db2.gz PNGIDJQSTJTRFJ-FPLPWBNLSA-N 0 1 259.334 2.992 20 30 CFEDMN CCc1ncc(CN=Nc2cc(C)nc(C)n2)s1 ZINC000752165251 574388779 /nfs/dbraw/zinc/38/87/79/574388779.db2.gz UPMQJMBSLXKSSO-UHFFFAOYSA-N 0 1 261.354 2.558 20 30 CFEDMN CCc1ncc(C=NNc2cc(Cl)nc(C)n2)s1 ZINC000752165936 574388819 /nfs/dbraw/zinc/38/88/19/574388819.db2.gz NAVPWQWVZKWVJF-UHFFFAOYSA-N 0 1 281.772 2.903 20 30 CFEDMN Cc1cccc2nc([C@@H](C#N)C(=O)c3ccc(C#N)[nH]3)[nH]c21 ZINC000752503685 574392143 /nfs/dbraw/zinc/39/21/43/574392143.db2.gz DQEYTNPJXCEKGY-NSHDSACASA-N 0 1 289.298 2.561 20 30 CFEDMN Cc1noc(C2CC2)c1C(=O)Nc1cc(C#N)ccc1O ZINC000752680924 574393590 /nfs/dbraw/zinc/39/35/90/574393590.db2.gz RLKLDNMFGCCXAE-UHFFFAOYSA-N 0 1 283.287 2.690 20 30 CFEDMN CC[C@H](C#N)OC(=O)c1[nH]c(-c2ccccc2)nc1C ZINC000753428649 574402316 /nfs/dbraw/zinc/40/23/16/574402316.db2.gz OZJCRNSDIPVRDM-GFCCVEGCSA-N 0 1 269.304 2.844 20 30 CFEDMN CCn1nccc1C=NN=c1[nH]c2cc(F)c(F)cc2[nH]1 ZINC000753696325 574408123 /nfs/dbraw/zinc/40/81/23/574408123.db2.gz GGIQSEXXMQUSFY-UHFFFAOYSA-N 0 1 290.277 2.504 20 30 CFEDMN C#CCCCN1CCc2c(ncn2-c2ccc(C)cc2)C1 ZINC000753786322 574410328 /nfs/dbraw/zinc/41/03/28/574410328.db2.gz PPZCHJXFSXAMFN-UHFFFAOYSA-N 0 1 279.387 2.952 20 30 CFEDMN C#CCCN(CC(F)(F)F)C(=O)c1cccc(F)c1O ZINC000935422084 649906344 /nfs/dbraw/zinc/90/63/44/649906344.db2.gz IIIXQGXPTNVHKD-UHFFFAOYSA-N 0 1 289.228 2.559 20 30 CFEDMN N#CC1(CNCc2cc(Br)ccc2O)CC1 ZINC000310016317 618259346 /nfs/dbraw/zinc/25/93/46/618259346.db2.gz LCPCTQHZXDRULV-UHFFFAOYSA-N 0 1 281.153 2.548 20 30 CFEDMN C[C@@H](C#N)C[N@H+](Cc1cccc(C(=O)[O-])c1)C1CC1 ZINC000819874924 598211928 /nfs/dbraw/zinc/21/19/28/598211928.db2.gz SRCDMHQWDFCJII-NSHDSACASA-N 0 1 258.321 2.509 20 30 CFEDMN C[C@@H](C#N)C[N@@H+](Cc1cccc(C(=O)[O-])c1)C1CC1 ZINC000819874924 598211929 /nfs/dbraw/zinc/21/19/29/598211929.db2.gz SRCDMHQWDFCJII-NSHDSACASA-N 0 1 258.321 2.509 20 30 CFEDMN CC[C@@H]1C[N@H+]([C@H](C(=O)[O-])c2ccc(C#N)cc2)CCS1 ZINC000829141271 601042941 /nfs/dbraw/zinc/04/29/41/601042941.db2.gz KYBXYEMDKNGTJC-KGLIPLIRSA-N 0 1 290.388 2.511 20 30 CFEDMN C#CC[N@H+](C/C=C(/C)C(=O)[O-])[C@H]1CCc2ccccc21 ZINC000825614710 601049740 /nfs/dbraw/zinc/04/97/40/601049740.db2.gz VXZVSBOPDNRVAH-DDKJEQMHSA-N 0 1 269.344 2.640 20 30 CFEDMN C[N@@H+](CC(C)(C)C)[C@H](C(=O)[O-])c1cccc(C#N)c1 ZINC000830702541 601313710 /nfs/dbraw/zinc/31/37/10/601313710.db2.gz ZQGKMSWZDPOYCZ-ZDUSSCGKSA-N 0 1 260.337 2.662 20 30 CFEDMN N#CCCC[N@@H+]1C[C@@H](C2CCCCC2)C[C@@H]1C(=O)[O-] ZINC000833065634 601431913 /nfs/dbraw/zinc/43/19/13/601431913.db2.gz IDZDTCGRULZBEI-UONOGXRCSA-N 0 1 264.369 2.646 20 30 CFEDMN N#Cc1cc(C[N@H+](CC(=O)[O-])C2CCCC2)ccc1F ZINC000236429289 602333812 /nfs/dbraw/zinc/33/38/12/602333812.db2.gz OIWWUEHOMUYQLZ-UHFFFAOYSA-N 0 1 276.311 2.527 20 30 CFEDMN Cc1nc(C)c(C(=O)Nc2cc(C#N)ccc2OC(C)C)[nH]1 ZINC000900339862 620661223 /nfs/dbraw/zinc/66/12/23/620661223.db2.gz MCTOANSLRHELIN-UHFFFAOYSA-N 0 1 298.346 2.938 20 30 CFEDMN C[C@@H]1CCC[N@@H+](Cc2cccc(C(=O)[O-])c2C#N)[C@H]1C ZINC000833613117 604610353 /nfs/dbraw/zinc/61/03/53/604610353.db2.gz DJAXQUPBHKJOCL-NEPJUHHUSA-N 0 1 272.348 2.877 20 30 CFEDMN C#CCCOc1ccc(C[N@@H+]2CCC[C@H]2CC(=O)[O-])cc1 ZINC000833364768 604659633 /nfs/dbraw/zinc/65/96/33/604659633.db2.gz DHNQMVZNQGNXSW-HNNXBMFYSA-N 0 1 287.359 2.528 20 30 CFEDMN O=C([O-])[C@@H]1CCCC[N@@H+]1CC#Cc1cccc(Cl)c1 ZINC000833188793 604797008 /nfs/dbraw/zinc/79/70/08/604797008.db2.gz IWFVGUUXRMVILQ-AWEZNQCLSA-N 0 1 277.751 2.631 20 30 CFEDMN O=C([O-])[C@@H]1CCCC[N@H+]1CC#Cc1cccc(Cl)c1 ZINC000833188793 604797014 /nfs/dbraw/zinc/79/70/14/604797014.db2.gz IWFVGUUXRMVILQ-AWEZNQCLSA-N 0 1 277.751 2.631 20 30 CFEDMN N#CC1CCC(CNC(=O)c2cccc(F)c2O)CC1 ZINC000935816297 649951564 /nfs/dbraw/zinc/95/15/64/649951564.db2.gz HFIPHYBALGXHAY-UHFFFAOYSA-N 0 1 276.311 2.591 20 30 CFEDMN CC(C)(C#N)CC[N@H+]1[C@@H]2CCCC[C@@H]2C[C@H]1C(=O)[O-] ZINC000250359973 604994393 /nfs/dbraw/zinc/99/43/93/604994393.db2.gz FLLIRYRAOQKIPA-UPJWGTAASA-N 0 1 264.369 2.644 20 30 CFEDMN C=CC[N@@H+](Cc1ccc(OCC(=O)[O-])cc1)C(C)C ZINC000833374338 605294216 /nfs/dbraw/zinc/29/42/16/605294216.db2.gz GOCYHZZEZLXFSK-UHFFFAOYSA-N 0 1 263.337 2.546 20 30 CFEDMN C=C(C)C[N@@H+](C)CC(=O)Nc1sc(C)c(C)c1C(=O)[O-] ZINC000833368127 605389275 /nfs/dbraw/zinc/38/92/75/605389275.db2.gz ARAFFUCUPBTNGA-UHFFFAOYSA-N 0 1 296.392 2.510 20 30 CFEDMN C=C(C)C[N@H+](C)CC(=O)Nc1sc(C)c(C)c1C(=O)[O-] ZINC000833368127 605389283 /nfs/dbraw/zinc/38/92/83/605389283.db2.gz ARAFFUCUPBTNGA-UHFFFAOYSA-N 0 1 296.392 2.510 20 30 CFEDMN C[C@]1(C#N)CCC[N@H+](Cc2ccccc2C(=O)[O-])C1 ZINC000833551406 605417435 /nfs/dbraw/zinc/41/74/35/605417435.db2.gz KDBYYJKDIWVDGO-OAHLLOKOSA-N 0 1 258.321 2.510 20 30 CFEDMN C[C@]1(C#N)CCC[N@@H+](Cc2ccccc2C(=O)[O-])C1 ZINC000833551406 605417436 /nfs/dbraw/zinc/41/74/36/605417436.db2.gz KDBYYJKDIWVDGO-OAHLLOKOSA-N 0 1 258.321 2.510 20 30 CFEDMN C=CC[N@H+](CCc1ccco1)Cc1cc(C(=O)[O-])co1 ZINC000833374661 605476884 /nfs/dbraw/zinc/47/68/84/605476884.db2.gz WRQNFCIJRSJQDH-UHFFFAOYSA-N 0 1 275.304 2.802 20 30 CFEDMN C=CCN1CCC[C@@H](NC(=O)[C@@H]2CCCCC2(C)C)C1 ZINC001009664757 651163177 /nfs/dbraw/zinc/16/31/77/651163177.db2.gz XPCJZXRONTWMDG-CABCVRRESA-N 0 1 278.440 2.969 20 30 CFEDMN C[C@H](C#N)OCCN(C)Cc1ccc(Cl)c(F)c1 ZINC000801935913 630491529 /nfs/dbraw/zinc/49/15/29/630491529.db2.gz NBKDKLOXYDRKID-SNVBAGLBSA-N 0 1 270.735 2.840 20 30 CFEDMN C=C(C[NH2+]Cc1ccc(-c2nnn[n-]2)s1)c1ccccc1 ZINC000819722962 606411857 /nfs/dbraw/zinc/41/18/57/606411857.db2.gz SNANBWSPJKHFDA-UHFFFAOYSA-N 0 1 297.387 2.731 20 30 CFEDMN C=C(C[NH2+]Cc1ccc(-c2nn[n-]n2)s1)c1ccccc1 ZINC000819722962 606411858 /nfs/dbraw/zinc/41/18/58/606411858.db2.gz SNANBWSPJKHFDA-UHFFFAOYSA-N 0 1 297.387 2.731 20 30 CFEDMN CCCCCN=Nc1oc(C(C)C)nc1-c1nn[nH]n1 ZINC000825266422 607887932 /nfs/dbraw/zinc/88/79/32/607887932.db2.gz FXQAUCOBLLNIHB-UHFFFAOYSA-N 0 1 277.332 2.566 20 30 CFEDMN CC(C)(C)c1ccc([C@@H](C#N)NC(=O)Cc2cnc[nH]2)cc1 ZINC000900636465 620697371 /nfs/dbraw/zinc/69/73/71/620697371.db2.gz RYKQQTDLPYEUBS-OAHLLOKOSA-N 0 1 296.374 2.631 20 30 CFEDMN C#CCCN1CCCN(C(=O)[C@]2(C)CCC[C@H]2CC)CC1 ZINC000981451456 613005503 /nfs/dbraw/zinc/00/55/03/613005503.db2.gz SXCUBMUKDCXPGA-SJLPKXTDSA-N 0 1 290.451 2.760 20 30 CFEDMN C#CCCN1CC[C@H](C)[C@@H](NC(=O)C2(F)CCCCC2)C1 ZINC000968506096 613022586 /nfs/dbraw/zinc/02/25/86/613022586.db2.gz RYZUFXCSNKDMOX-GJZGRUSLSA-N 0 1 294.414 2.509 20 30 CFEDMN C#CCN(C)[C@@H]1CCN(C(=O)c2cc3ccccc3s2)C1 ZINC000971881658 613085744 /nfs/dbraw/zinc/08/57/44/613085744.db2.gz MIILOHKTTRNMBL-CQSZACIVSA-N 0 1 298.411 2.681 20 30 CFEDMN C#CCN(C)[C@H]1CCN(C(=O)[C@@H](CC)CC2CCCC2)C1 ZINC000972472388 613091311 /nfs/dbraw/zinc/09/13/11/613091311.db2.gz MWMYGLDTSUYSLI-IRXDYDNUSA-N 0 1 290.451 2.759 20 30 CFEDMN C#CCN(C)[C@H]1CCN(C(=O)[C@H](c2ccccc2)C(C)C)C1 ZINC000972434636 613092977 /nfs/dbraw/zinc/09/29/77/613092977.db2.gz YLLYZJAUVCBYPP-ROUUACIJSA-N 0 1 298.430 2.592 20 30 CFEDMN C#CCN(C)[C@H]1CCN(C(=O)c2cc3c(cccc3C)o2)C1 ZINC000980511719 613094255 /nfs/dbraw/zinc/09/42/55/613094255.db2.gz SIJXSGWBVIKXEJ-AWEZNQCLSA-N 0 1 296.370 2.521 20 30 CFEDMN C#CCN(C)[C@H]1CCN(C(=O)c2ccc([C@H](C)CC)cc2)C1 ZINC000980493994 613094653 /nfs/dbraw/zinc/09/46/53/613094653.db2.gz KTFWZPOPUNVVFH-QAPCUYQASA-N 0 1 298.430 2.980 20 30 CFEDMN C#CCN1CCCCC[C@H]1CNC(=O)C1CCC(=C)CC1 ZINC000969014062 613148325 /nfs/dbraw/zinc/14/83/25/613148325.db2.gz OQXFCWYWHMIJMX-KRWDZBQOSA-N 0 1 288.435 2.727 20 30 CFEDMN C#CCN1CCCCC[C@H]1CNC(=O)[C@@H]1CCCC1(C)C ZINC000968990910 613148436 /nfs/dbraw/zinc/14/84/36/613148436.db2.gz QYPWNOMWRKBADS-HOTGVXAUSA-N 0 1 290.451 2.807 20 30 CFEDMN C#CCN1CCCCC[C@H]1CNC(=O)c1c(C)coc1C ZINC000968843380 613149071 /nfs/dbraw/zinc/14/90/71/613149071.db2.gz RKTXUDDAACQYJS-HNNXBMFYSA-N 0 1 288.391 2.504 20 30 CFEDMN C#CCN1CC[C@@H](C)[C@@H](NC(=O)CC2CCCCCC2)C1 ZINC000968366151 613213998 /nfs/dbraw/zinc/21/39/98/613213998.db2.gz SNRCRWYMYKBQKN-WBVHZDCISA-N 0 1 290.451 2.807 20 30 CFEDMN C#CCN1CC[C@@H](NC(=O)[C@H]2CCCC2(C)C)C(C)(C)C1 ZINC000940962232 613229482 /nfs/dbraw/zinc/22/94/82/613229482.db2.gz WGLKPWVORBYEFI-HUUCEWRRSA-N 0 1 290.451 2.663 20 30 CFEDMN C#CCN1CC[C@@H](NC(=O)[C@H]2CCC(C)(C)C2)C(C)(C)C1 ZINC000941008418 613230058 /nfs/dbraw/zinc/23/00/58/613230058.db2.gz PKKUBFNLLJTWAS-LSDHHAIUSA-N 0 1 290.451 2.663 20 30 CFEDMN C#CCN1CC[C@@H](NC(=O)c2cc(C)sc2C)C[C@@H]1C ZINC000947515873 613232732 /nfs/dbraw/zinc/23/27/32/613232732.db2.gz QGIYPAYDUMQKMK-SMDDNHRTSA-N 0 1 290.432 2.581 20 30 CFEDMN C#CCN1CC[C@@H](NC(=O)c2ccccc2Cl)C[C@@H]1C ZINC000947958593 613237895 /nfs/dbraw/zinc/23/78/95/613237895.db2.gz RICMPQCKTWHKKP-QWHCGFSZSA-N 0 1 290.794 2.556 20 30 CFEDMN C=C(C)CCN1CC(N(CC)C(=O)[C@@H]2CC=CCC2)C1 ZINC000949658040 613244968 /nfs/dbraw/zinc/24/49/68/613244968.db2.gz NAEACEXPTSZKAO-OAHLLOKOSA-N 0 1 276.424 2.842 20 30 CFEDMN C=C(C)CCN1CC(N(CC)C(=O)[C@H]2[C@@H]3CCC[C@@H]32)C1 ZINC000949850640 613245575 /nfs/dbraw/zinc/24/55/75/613245575.db2.gz BAYSEXFXIKRCMU-ZSHCYNCHSA-N 0 1 276.424 2.531 20 30 CFEDMN C=C(C)CCN1CC(N(CC)C(=O)[C@H]2CC[C@@H](F)C2)C1 ZINC000951386391 613245679 /nfs/dbraw/zinc/24/56/79/613245679.db2.gz AERPFHYOCCMTGL-UONOGXRCSA-N 0 1 282.403 2.624 20 30 CFEDMN C#CCN1CC[C@H](NC(=O)C(C)(C)C2CCC2)C(C)(C)C1 ZINC000940919083 613256624 /nfs/dbraw/zinc/25/66/24/613256624.db2.gz WRIHKKGVUQYHLS-HNNXBMFYSA-N 0 1 290.451 2.663 20 30 CFEDMN C=C(C)CCN1CCN(C(=O)C(C)(C)C2CC2)CC1 ZINC000949769535 613256949 /nfs/dbraw/zinc/25/69/49/613256949.db2.gz XICRNNMKVSCVPG-UHFFFAOYSA-N 0 1 264.413 2.533 20 30 CFEDMN C=C(C)CCN1CCN(C(=O)C(C)(C)C2CCC2)CC1 ZINC000949510138 613257285 /nfs/dbraw/zinc/25/72/85/613257285.db2.gz JTUQKGWKUBLOQK-UHFFFAOYSA-N 0 1 278.440 2.923 20 30 CFEDMN C=C(C)CCN1CCN(C(=O)[C@@H](C)c2cccs2)CC1 ZINC000950462124 613258271 /nfs/dbraw/zinc/25/82/71/613258271.db2.gz OVYACHVIYWLXJT-AWEZNQCLSA-N 0 1 292.448 2.962 20 30 CFEDMN C=C(C)CCN1CCN(C(=O)C[C@H]2CC=CCC2)CC1 ZINC000949692885 613258445 /nfs/dbraw/zinc/25/84/45/613258445.db2.gz IBNPUQITGCRSKB-INIZCTEOSA-N 0 1 276.424 2.843 20 30 CFEDMN C=C(C)CCN1CCN(C(=O)[C@H]2C[C@@H]2C2CCCC2)CC1 ZINC000956970618 613260280 /nfs/dbraw/zinc/26/02/80/613260280.db2.gz JAXCBHKQKZDMPV-SJORKVTESA-N 0 1 290.451 2.923 20 30 CFEDMN C=C(C)CCN1CCN(C(=O)c2cc(F)ccc2F)CC1 ZINC000948768166 613261235 /nfs/dbraw/zinc/26/12/35/613261235.db2.gz DCPDYFQWTXVPHC-UHFFFAOYSA-N 0 1 294.345 2.689 20 30 CFEDMN C=C(C)CCN1CCN(C(=O)c2cc(C)cc(F)c2)CC1 ZINC000950674422 613261384 /nfs/dbraw/zinc/26/13/84/613261384.db2.gz PONRMJHFQXYAAP-UHFFFAOYSA-N 0 1 290.382 2.858 20 30 CFEDMN C#CCN1CC[C@H](NC(=O)c2ccc(Cl)s2)C[C@H]1C ZINC000947999330 613268965 /nfs/dbraw/zinc/26/89/65/613268965.db2.gz XSOBTZGYTDZXAE-MNOVXSKESA-N 0 1 296.823 2.617 20 30 CFEDMN C#CCN1CC[C@H](NC(=O)c2sccc2C)C(C)(C)C1 ZINC000940530291 613278935 /nfs/dbraw/zinc/27/89/35/613278935.db2.gz BPVUNBIYZWAWMO-ZDUSSCGKSA-N 0 1 290.432 2.520 20 30 CFEDMN C#CCN1CC[C@H](NC(=O)c2sccc2CC)C[C@H]1C ZINC000948067626 613279246 /nfs/dbraw/zinc/27/92/46/613279246.db2.gz XVAQRKIHJZXLSU-OCCSQVGLSA-N 0 1 290.432 2.526 20 30 CFEDMN C#CCN1C[C@H](NC(=O)[C@@H](C)c2cccc(C)c2)C(C)(C)C1 ZINC000975083622 613297843 /nfs/dbraw/zinc/29/78/43/613297843.db2.gz KVGOVLXPMNSPRZ-RDJZCZTQSA-N 0 1 298.430 2.558 20 30 CFEDMN C=C(C)CN1CC([C@@H](C)NC(=O)c2ccc(C(F)F)o2)C1 ZINC000970809494 613299911 /nfs/dbraw/zinc/29/99/11/613299911.db2.gz AWSGJIYSZJUSSY-SNVBAGLBSA-N 0 1 298.333 2.843 20 30 CFEDMN C=C(C)CN1CC([C@H](C)NC(=O)c2cc(C)c(CC)o2)C1 ZINC000970722907 613302646 /nfs/dbraw/zinc/30/26/46/613302646.db2.gz SFIKYUKBIPGWQF-ZDUSSCGKSA-N 0 1 290.407 2.777 20 30 CFEDMN C=C(C)CN1CCCN(C(=O)[C@@H](C)C(C)(C)C)CC1 ZINC000981450860 613309061 /nfs/dbraw/zinc/30/90/61/613309061.db2.gz NAOISAGKMXXEPQ-CQSZACIVSA-N 0 1 266.429 2.779 20 30 CFEDMN C=C(C)CN1CCCN(C(=O)c2c(C)coc2C)CC1 ZINC000981085660 613311288 /nfs/dbraw/zinc/31/12/88/613311288.db2.gz MXMSCZXWKFBFCY-UHFFFAOYSA-N 0 1 276.380 2.620 20 30 CFEDMN C=C(C)CN1CCCN(C(=O)c2ccc(Cl)o2)CC1 ZINC000980711455 613311714 /nfs/dbraw/zinc/31/17/14/613311714.db2.gz INCBVLASDORRON-UHFFFAOYSA-N 0 1 282.771 2.657 20 30 CFEDMN C=C(C)CN1CCCN(C(=O)c2nccc3occc32)CC1 ZINC000981663055 613312937 /nfs/dbraw/zinc/31/29/37/613312937.db2.gz HWOLGPNSMUOYRN-UHFFFAOYSA-N 0 1 299.374 2.552 20 30 CFEDMN C=C(C)CN1CC[C@H](C)[C@H](NC(=O)c2c(C)coc2C)C1 ZINC000965984449 613333841 /nfs/dbraw/zinc/33/38/41/613333841.db2.gz DOLBJPBFUCIIAY-SWLSCSKDSA-N 0 1 290.407 2.913 20 30 CFEDMN C=C(C)CN1C[C@H](NC(=O)c2oc(C)cc2C)C(C)(C)C1 ZINC000973013581 613342580 /nfs/dbraw/zinc/34/25/80/613342580.db2.gz USHIFDWPPDOKEJ-AWEZNQCLSA-N 0 1 290.407 2.913 20 30 CFEDMN C=C(Cl)CN[C@@H]1CCN(C(=O)c2cc(C)ccc2C)C1 ZINC000970568904 613385604 /nfs/dbraw/zinc/38/56/04/613385604.db2.gz ZIXNHZUHXJLUMI-CQSZACIVSA-N 0 1 292.810 2.860 20 30 CFEDMN C=C(Cl)CN[C@@H]1CCN(C(=O)c2ccc(C)s2)C1 ZINC000966359199 613385748 /nfs/dbraw/zinc/38/57/48/613385748.db2.gz GUUBYRSIGXTLPP-LLVKDONJSA-N 0 1 284.812 2.613 20 30 CFEDMN C=C(Cl)CN[C@@H]1CCN(C(=O)c2ccccc2CC)C1 ZINC000969751916 613385861 /nfs/dbraw/zinc/38/58/61/613385861.db2.gz KRAQJWQCLBYJCH-CQSZACIVSA-N 0 1 292.810 2.806 20 30 CFEDMN C=C(Cl)CN[C@@H]1CCN(C(=O)c2sc(C)cc2C)C1 ZINC000968808455 613386261 /nfs/dbraw/zinc/38/62/61/613386261.db2.gz YSCDPKREKYAOKH-GFCCVEGCSA-N 0 1 298.839 2.922 20 30 CFEDMN C=C1CC(C)(C(=O)N2CCN(CC3CC(C)(C)C3)CC2)C1 ZINC000950382955 613393498 /nfs/dbraw/zinc/39/34/98/613393498.db2.gz NZPZIKOFRALXNI-UHFFFAOYSA-N 0 1 290.451 2.923 20 30 CFEDMN C=C1CC(C)(C(=O)N2CCN(C[C@H](C)CC)CC2)C1 ZINC000950373185 613393723 /nfs/dbraw/zinc/39/37/23/613393723.db2.gz KEMCDOWTORFVQI-CYBMUJFWSA-N 0 1 264.413 2.533 20 30 CFEDMN C=C1CC(C)(C(=O)N[C@@H]2CCN(C/C=C/Cl)C[C@H]2C)C1 ZINC000942608625 613396910 /nfs/dbraw/zinc/39/69/10/613396910.db2.gz XUXFLAAWWZPKAU-IOKDEZFASA-N 0 1 296.842 2.922 20 30 CFEDMN C=C1CCC(C(=O)N(CC)C2CN(CC(C)C)C2)CC1 ZINC000951608503 613403582 /nfs/dbraw/zinc/40/35/82/613403582.db2.gz DVVJAIOCCBVJOZ-UHFFFAOYSA-N 0 1 278.440 2.922 20 30 CFEDMN C=CCCN1CC(N(CC)C(=O)C2=CCCCCC2)C1 ZINC000949959431 613477056 /nfs/dbraw/zinc/47/70/56/613477056.db2.gz BTMXUUFZKOOLOH-UHFFFAOYSA-N 0 1 276.424 2.986 20 30 CFEDMN C=CCCN1CCN(C(=O)C(C2CCC2)C2CCC2)CC1 ZINC000949898200 613502477 /nfs/dbraw/zinc/50/24/77/613502477.db2.gz ZIORYORPKQGWJS-UHFFFAOYSA-N 0 1 290.451 2.923 20 30 CFEDMN C=CCCN1CCN(C(=O)CC(C2CC2)C2CC2)CC1 ZINC000957799388 613502895 /nfs/dbraw/zinc/50/28/95/613502895.db2.gz ORVINYFESOCBGW-UHFFFAOYSA-N 0 1 276.424 2.533 20 30 CFEDMN C=CCCN1CCN(C(=O)[C@@H]2CCCCC2(F)F)CC1 ZINC000949477608 613505780 /nfs/dbraw/zinc/50/57/80/613505780.db2.gz SWIJFVJEEQXPJE-ZDUSSCGKSA-N 0 1 286.366 2.532 20 30 CFEDMN C=CCCN1CCN(C(=O)[C@H]2CCC(C)(C)C2)CC1 ZINC000950359467 613507564 /nfs/dbraw/zinc/50/75/64/613507564.db2.gz HAQMZIRCYOFOFH-AWEZNQCLSA-N 0 1 264.413 2.533 20 30 CFEDMN C=CCCN1CCN(C(=O)[C@H](C)Cc2ccccc2)CC1 ZINC000957718897 613507987 /nfs/dbraw/zinc/50/79/87/613507987.db2.gz IUBMOPZJISFOKU-MRXNPFEDSA-N 0 1 286.419 2.586 20 30 CFEDMN C=CCCN1CCN(C(=O)c2ccc(C3CC3)cc2)CC1 ZINC000957739692 613510162 /nfs/dbraw/zinc/51/01/62/613510162.db2.gz JFHYILYSBQKZJC-UHFFFAOYSA-N 0 1 284.403 2.898 20 30 CFEDMN C=CCCN1CCN(C(=O)c2cc[nH]c2C2CCC2)CC1 ZINC000950495322 613510213 /nfs/dbraw/zinc/51/02/13/613510213.db2.gz CALORLLUQJLPSY-UHFFFAOYSA-N 0 1 287.407 2.616 20 30 CFEDMN CC#CCN1CC([C@@H](C)NC(=O)[C@@H]2CCCC(C)(C)C2)C1 ZINC000970939396 613530609 /nfs/dbraw/zinc/53/06/09/613530609.db2.gz WCFORKVUNVAMLN-HUUCEWRRSA-N 0 1 290.451 2.663 20 30 CFEDMN CC#CCN1CCCC2(CN(C(=O)C3(CC)CCC3)C2)C1 ZINC000981951737 613541077 /nfs/dbraw/zinc/54/10/77/613541077.db2.gz FBBVLHYJQRYOHF-UHFFFAOYSA-N 0 1 288.435 2.514 20 30 CFEDMN CC#CCN1CCCCC[C@@H]1CNC(=O)c1ccoc1C ZINC000968743949 613544657 /nfs/dbraw/zinc/54/46/57/613544657.db2.gz BRIGKJJIVFOGPL-OAHLLOKOSA-N 0 1 288.391 2.586 20 30 CFEDMN CC#CCN1C[C@@H](NC(=O)[C@H](C)c2ccccc2)C(C)(C)C1 ZINC000977529573 613609921 /nfs/dbraw/zinc/60/99/21/613609921.db2.gz XHLLYQFKWMNXFY-NVXWUHKLSA-N 0 1 298.430 2.640 20 30 CFEDMN CC#CCN1C[C@@H](NC(=O)[C@@]2(C)CC=CCC2)C(C)(C)C1 ZINC000974626269 613610415 /nfs/dbraw/zinc/61/04/15/613610415.db2.gz YEOKJGMCDKWZNO-QAPCUYQASA-N 0 1 288.435 2.583 20 30 CFEDMN C=CCN1CC([C@@H](C)NC(=O)C23CCC(CC2)C3(C)C)C1 ZINC000970545559 613661626 /nfs/dbraw/zinc/66/16/26/613661626.db2.gz MIXWFNSFHOCJHD-MJJDPTRDSA-N 0 1 290.451 2.825 20 30 CFEDMN C=CCN1CC([C@@H](C)NC(=O)c2ccc(CCC)s2)C1 ZINC000969769761 613665535 /nfs/dbraw/zinc/66/55/35/613665535.db2.gz RPOSYJDRNFJCPW-GFCCVEGCSA-N 0 1 292.448 2.937 20 30 CFEDMN C=CCN1CC([C@@H](C)NC(=O)c2ccc(C)c(Cl)c2)C1 ZINC000970373153 613665559 /nfs/dbraw/zinc/66/55/59/613665559.db2.gz YLZXDZHLRHHOJS-GFCCVEGCSA-N 0 1 292.810 2.885 20 30 CFEDMN C=CCN1CC([C@H](C)NC(=O)C23CCC(CC2)CC3)C1 ZINC000970911192 613668165 /nfs/dbraw/zinc/66/81/65/613668165.db2.gz SQFMZESHGDWTDR-CBCUQQMYSA-N 0 1 276.424 2.579 20 30 CFEDMN C=CCN1CC([C@H](C)NC(=O)c2c(C)[nH]c3ccccc32)C1 ZINC000970103217 613669864 /nfs/dbraw/zinc/66/98/64/613669864.db2.gz AQRMJDUAEPJKRI-LBPRGKRZSA-N 0 1 297.402 2.712 20 30 CFEDMN C=CCN1CC([C@H](C)NC(=O)c2cc(C)cc(Cl)c2)C1 ZINC000970161804 613670482 /nfs/dbraw/zinc/67/04/82/613670482.db2.gz MEXVTWQVWIVCHZ-LBPRGKRZSA-N 0 1 292.810 2.885 20 30 CFEDMN C=CCN1CCCN(C(=O)C(C)(C)C2CCCC2)CC1 ZINC000981350347 613687853 /nfs/dbraw/zinc/68/78/53/613687853.db2.gz LNUWFRYVJXBDJV-UHFFFAOYSA-N 0 1 278.440 2.923 20 30 CFEDMN C=CCN1CCCN(C(=O)C=C2CCCCC2)CC1 ZINC000980796214 613688387 /nfs/dbraw/zinc/68/83/87/613688387.db2.gz CDBGILXNDGICCX-UHFFFAOYSA-N 0 1 262.397 2.597 20 30 CFEDMN C=CCN1CCCN(C(=O)CCc2cccc(C)c2)CC1 ZINC000981705317 613689358 /nfs/dbraw/zinc/68/93/58/613689358.db2.gz LMOLAHXFEYAIAK-UHFFFAOYSA-N 0 1 286.419 2.648 20 30 CFEDMN C=CCN1CCCN(C(=O)C[C@H]2CC[C@@H](C)C2)CC1 ZINC000981782423 613689786 /nfs/dbraw/zinc/68/97/86/613689786.db2.gz YGYGYAHAWPEIIU-CABCVRRESA-N 0 1 264.413 2.533 20 30 CFEDMN C=CCN1CCCN(C(=O)C[C@H]2CC[C@H](C)C2)CC1 ZINC000981782424 613689990 /nfs/dbraw/zinc/68/99/90/613689990.db2.gz YGYGYAHAWPEIIU-GJZGRUSLSA-N 0 1 264.413 2.533 20 30 CFEDMN C=CCN1CCCN(C(=O)[C@H]2CCCC[C@H]2CC)CC1 ZINC000983386908 613693536 /nfs/dbraw/zinc/69/35/36/613693536.db2.gz BBHFVXIJWGTELD-CVEARBPZSA-N 0 1 278.440 2.923 20 30 CFEDMN C=CCN1CCCN(C(=O)[C@H]2CCCC[C@@H]2CC)CC1 ZINC000983386909 613693895 /nfs/dbraw/zinc/69/38/95/613693895.db2.gz BBHFVXIJWGTELD-HOTGVXAUSA-N 0 1 278.440 2.923 20 30 CFEDMN C=CCN1CCCN(C(=O)[C@H]2C[C@@H]2C2CCCC2)CC1 ZINC000983198513 613695801 /nfs/dbraw/zinc/69/58/01/613695801.db2.gz PREURKSSGFELRC-CVEARBPZSA-N 0 1 276.424 2.533 20 30 CFEDMN C=CCN1CCCN(C(=O)c2cc3cc(C)ccc3[nH]2)CC1 ZINC000981731110 613696565 /nfs/dbraw/zinc/69/65/65/613696565.db2.gz BCYRCVGXJISJNO-UHFFFAOYSA-N 0 1 297.402 2.810 20 30 CFEDMN C=CCN1CCCN(C(=O)c2cn(C)c3ccccc23)CC1 ZINC000981570605 613698844 /nfs/dbraw/zinc/69/88/44/613698844.db2.gz YDZHWWMTBCLDRB-UHFFFAOYSA-N 0 1 297.402 2.512 20 30 CFEDMN C=CCN1CCCN(C(=O)c2csc(C)c2C)CC1 ZINC000981235814 613699799 /nfs/dbraw/zinc/69/97/99/613699799.db2.gz QVENANMZMCLVEA-UHFFFAOYSA-N 0 1 278.421 2.699 20 30 CFEDMN C=CCN1CC[C@@H](C)[C@@H](NC(=O)C(F)=C2CCCC2)C1 ZINC000965894171 613727498 /nfs/dbraw/zinc/72/74/98/613727498.db2.gz DEYNDHVACBLMIV-OCCSQVGLSA-N 0 1 280.387 2.797 20 30 CFEDMN C=CCN1CC[C@@H](C)[C@@H](NC(=O)C23CCC(CC2)C3)C1 ZINC000966947413 613727523 /nfs/dbraw/zinc/72/75/23/613727523.db2.gz YUWDVOOZVKVIOB-GJEMEMOUSA-N 0 1 276.424 2.579 20 30 CFEDMN C=CCN1CC[C@@H](C)[C@@H](NC(=O)c2c[nH]cc2C2CC2)C1 ZINC000968488174 613728733 /nfs/dbraw/zinc/72/87/33/613728733.db2.gz IXCQBFRBLYNGMZ-WBMJQRKESA-N 0 1 287.407 2.518 20 30 CFEDMN C=CCN1CC[C@@H](C)[C@@H](NC(=O)c2ccsc2C)C1 ZINC000966004195 613730296 /nfs/dbraw/zinc/73/02/96/613730296.db2.gz NZCOWRAGFUDCHE-RISCZKNCSA-N 0 1 278.421 2.683 20 30 CFEDMN C=CCN1CC[C@@H](C)[C@@H](NC(=O)c2csc(C)c2C)C1 ZINC000966328511 613731566 /nfs/dbraw/zinc/73/15/66/613731566.db2.gz RBYXFQYPVSCJMN-ABAIWWIYSA-N 0 1 292.448 2.991 20 30 CFEDMN C=CCN1CC[C@@H](C)[C@H](NC(=O)C23CCC(CC2)CC3)C1 ZINC000968678934 613732033 /nfs/dbraw/zinc/73/20/33/613732033.db2.gz WEHSJACNKAFLNJ-JBCIKUTRSA-N 0 1 290.451 2.969 20 30 CFEDMN C=CCN1CC[C@@H](C)[C@H](NC(=O)c2ccc3cc[nH]c3c2)C1 ZINC000968364017 613734240 /nfs/dbraw/zinc/73/42/40/613734240.db2.gz CNEHLLQNVWRDEX-CXAGYDPISA-N 0 1 297.402 2.794 20 30 CFEDMN C=CCN1CC[C@H](C)[C@@H](NC(=O)Cc2ccccc2C)C1 ZINC000968633681 613767053 /nfs/dbraw/zinc/76/70/53/613767053.db2.gz ZZKHAKDDEGMAAY-RDJZCZTQSA-N 0 1 286.419 2.550 20 30 CFEDMN C=CCN1CC[C@H](C)[C@@H](NC(=O)C2=CCCCCC2)C1 ZINC000965946714 613767335 /nfs/dbraw/zinc/76/73/35/613767335.db2.gz QXRDSQFGSRBQOJ-HOCLYGCPSA-N 0 1 276.424 2.890 20 30 CFEDMN C=CCN1CC[C@H](C)[C@@H](NC(=O)c2cc(F)ccc2C)C1 ZINC000967524068 613768677 /nfs/dbraw/zinc/76/86/77/613768677.db2.gz LBMWUOHQWAOVNJ-BBRMVZONSA-N 0 1 290.382 2.760 20 30 CFEDMN C=CCN1CC[C@H](C)[C@@H](NC(=O)c2ccc(C)cc2F)C1 ZINC000968354286 613768683 /nfs/dbraw/zinc/76/86/83/613768683.db2.gz PXLRADGZWMWOPF-BBRMVZONSA-N 0 1 290.382 2.760 20 30 CFEDMN C=CCN1CC[C@H](C)[C@@H](NC(=O)c2cccc(C)c2C)C1 ZINC000968606807 613769598 /nfs/dbraw/zinc/76/95/98/613769598.db2.gz JTPFPNGMYZLVES-YOEHRIQHSA-N 0 1 286.419 2.930 20 30 CFEDMN C=CCN1CC[C@H](C)[C@@H](NC(=O)c2cccnc2C2CC2)C1 ZINC000967227984 613769791 /nfs/dbraw/zinc/76/97/91/613769791.db2.gz GPDQNBLCWQVEOX-BBRMVZONSA-N 0 1 299.418 2.585 20 30 CFEDMN C=CCN1C[C@@H](NC(=O)C2(C)CCCCC2)C(C)(C)C1 ZINC000974991864 613805944 /nfs/dbraw/zinc/80/59/44/613805944.db2.gz FVAZGTOBUCYNTK-CQSZACIVSA-N 0 1 278.440 2.969 20 30 CFEDMN C=CCN1C[C@@H](NC(=O)[C@H](F)c2ccccc2)C(C)(C)C1 ZINC000975081232 613808212 /nfs/dbraw/zinc/80/82/12/613808212.db2.gz FXLJVFXGTWVYSP-HUUCEWRRSA-N 0 1 290.382 2.710 20 30 CFEDMN C=CCN1C[C@@H](NC(=O)c2cc3ccccn3c2)C(C)(C)C1 ZINC000975112152 613809875 /nfs/dbraw/zinc/80/98/75/613809875.db2.gz QRHVEGMVMUVPPJ-MRXNPFEDSA-N 0 1 297.402 2.566 20 30 CFEDMN C=CCN1C[C@@H](NC(=O)c2ccccc2CC)C(C)(C)C1 ZINC000974990190 613810700 /nfs/dbraw/zinc/81/07/00/613810700.db2.gz XXQKBWIDHQAGNQ-MRXNPFEDSA-N 0 1 286.419 2.875 20 30 CFEDMN C=CCN1C[C@H](NC(=O)[C@H](C)c2ccsc2)C(C)(C)C1 ZINC000975024578 613828010 /nfs/dbraw/zinc/82/80/10/613828010.db2.gz CDWTZBKHOVLRPI-OCCSQVGLSA-N 0 1 292.448 2.864 20 30 CFEDMN CCC(=O)N(C)[C@H]1CCCN(Cc2ccccc2C#N)CC1 ZINC000948117124 614477564 /nfs/dbraw/zinc/47/75/64/614477564.db2.gz SDYIXAHUYOABDG-KRWDZBQOSA-N 0 1 299.418 2.781 20 30 CFEDMN CCCCCCCN(C)[C@H](C)[C@H](C)S(C)(=O)=O ZINC000246948061 617807247 /nfs/dbraw/zinc/80/72/47/617807247.db2.gz JZANZZOQTXGGSE-OLZOCXBDSA-N 0 1 263.447 2.710 20 30 CFEDMN Cc1cc(C#N)nc(NC[C@@H](c2ccco2)N(C)C)c1 ZINC000891485339 617632378 /nfs/dbraw/zinc/63/23/78/617632378.db2.gz PVAQUHTVUKBWRL-ZDUSSCGKSA-N 0 1 270.336 2.570 20 30 CFEDMN C=CC[C@@H]1CCN1C(=O)c1cccc2[nH]c(C)nc21 ZINC000890552968 617646600 /nfs/dbraw/zinc/64/66/00/617646600.db2.gz PYPHIJQZQHZRAP-LLVKDONJSA-N 0 1 255.321 2.662 20 30 CFEDMN C=CC[C@@H]1CCN1C(=O)c1cc(-c2ccccc2O)[nH]n1 ZINC000890559407 617652024 /nfs/dbraw/zinc/65/20/24/617652024.db2.gz MUSKRMYOUJYLNR-LLVKDONJSA-N 0 1 283.331 2.573 20 30 CFEDMN CN(C)c1ccc(C=NNC[C@@H]2CCSC2)cc1F ZINC000811657838 617687229 /nfs/dbraw/zinc/68/72/29/617687229.db2.gz DUEGIENPBFVGBM-LBPRGKRZSA-N 0 1 281.400 2.568 20 30 CFEDMN CCn1nncc1CN1CCC(c2ccc(C#N)cc2)CC1 ZINC000933608298 617721216 /nfs/dbraw/zinc/72/12/16/617721216.db2.gz XRCYLIHZPTZZMI-UHFFFAOYSA-N 0 1 295.390 2.549 20 30 CFEDMN CCN(Cc1csc(C#N)c1)C[C@H]1CCCO1 ZINC000891783494 617750992 /nfs/dbraw/zinc/75/09/92/617750992.db2.gz HNWMMXAGNSHDGF-GFCCVEGCSA-N 0 1 250.367 2.621 20 30 CFEDMN CCSc1ccccc1CC(C)=Nn1cnnc1 ZINC000901118421 620753310 /nfs/dbraw/zinc/75/33/10/620753310.db2.gz GUHPSAJTWANVNL-UHFFFAOYSA-N 0 1 260.366 2.857 20 30 CFEDMN N#Cc1csc(CN[C@@H]2CCOC23CCCCC3)n1 ZINC000933877484 617803724 /nfs/dbraw/zinc/80/37/24/617803724.db2.gz SBSQGETWZVZZBP-GFCCVEGCSA-N 0 1 277.393 2.596 20 30 CFEDMN N#CC(C(=O)C1(c2ccccc2)CC1)c1ccccn1 ZINC000069952336 617973020 /nfs/dbraw/zinc/97/30/20/617973020.db2.gz UKESALLKJADMLI-CQSZACIVSA-N 0 1 262.312 2.990 20 30 CFEDMN C=CC(C)(C)NC(=O)NC[C@@H](c1ccc(F)cc1)N(C)C ZINC000892172086 617981400 /nfs/dbraw/zinc/98/14/00/617981400.db2.gz DXRDUODKXJQLTN-AWEZNQCLSA-N 0 1 293.386 2.692 20 30 CFEDMN CCCCCCCN(CC)[C@@H](C)CS(C)(=O)=O ZINC000158130473 618030980 /nfs/dbraw/zinc/03/09/80/618030980.db2.gz SMPJNGUSVQCPNF-ZDUSSCGKSA-N 0 1 263.447 2.712 20 30 CFEDMN C=CC[C@H]1CCN1CC(=O)N[C@H](C)c1ccccc1 ZINC000934460162 618039979 /nfs/dbraw/zinc/03/99/79/618039979.db2.gz OHBKKGPOQXPWMY-HIFRSBDPSA-N 0 1 258.365 2.514 20 30 CFEDMN C=CC[C@H]1CCN1[C@H]1CCN(c2ccc(F)cc2)C1=O ZINC000934459825 618040442 /nfs/dbraw/zinc/04/04/42/618040442.db2.gz MCFLUBOHBDLQFW-ZFWWWQNUSA-N 0 1 274.339 2.581 20 30 CFEDMN C#C[C@@H]1CCCCN1Cc1cnc2c(cnn2C(C)C)c1 ZINC000934510822 618059205 /nfs/dbraw/zinc/05/92/05/618059205.db2.gz CNLBZNSJJJDHKJ-MRXNPFEDSA-N 0 1 282.391 3.000 20 30 CFEDMN CC(C)(C)CCC(=O)C(C#N)C(=O)Nc1ccccn1 ZINC000121861033 618092202 /nfs/dbraw/zinc/09/22/02/618092202.db2.gz XDGMIEADLZISJI-NSHDSACASA-N 0 1 273.336 2.555 20 30 CFEDMN COC(=O)c1ccc(/C=C\C(=O)c2ccc(O)c(F)c2)o1 ZINC000255551636 618105299 /nfs/dbraw/zinc/10/52/99/618105299.db2.gz CXRSAOYYPWFWMY-UTCJRWHESA-N 0 1 290.246 2.807 20 30 CFEDMN C[C@@H](Sc1ccccn1)C(=O)Nc1cc(C#N)ccc1O ZINC000161538892 618131770 /nfs/dbraw/zinc/13/17/70/618131770.db2.gz GVKNZLZPAMGLGY-SNVBAGLBSA-N 0 1 299.355 2.778 20 30 CFEDMN CCCCCNC(=O)C(C#N)C(=O)CCC1CCCC1 ZINC000069911286 618137879 /nfs/dbraw/zinc/13/78/79/618137879.db2.gz DSGIZAAXZONAEY-CQSZACIVSA-N 0 1 278.396 2.972 20 30 CFEDMN C[C@@H]1CC(NN=C2CCCN3CCCC[C@H]23)C[C@@H](C)O1 ZINC000901302739 620780164 /nfs/dbraw/zinc/78/01/64/620780164.db2.gz LCNKHHRJHHDWOI-XJKCOSOUSA-N 0 1 279.428 2.536 20 30 CFEDMN Oc1c(Cl)cc(Cl)cc1/C=N/[C@H]1CCOC1 ZINC000178886010 618158874 /nfs/dbraw/zinc/15/88/74/618158874.db2.gz LZGSRAQVXJXVNH-QFKBZZQOSA-N 0 1 260.120 2.907 20 30 CFEDMN C[C@@H]1C[C@@H](NN=Cc2ccc(N(C)C)c(F)c2)C[C@H](C)O1 ZINC000901309780 620782193 /nfs/dbraw/zinc/78/21/93/620782193.db2.gz DFXHOWUYSHDTRB-DABQJJPHSA-N 0 1 293.386 2.771 20 30 CFEDMN C=CCC[C@H](CO)N[C@@H]1COCc2cccc(Cl)c21 ZINC000926546862 618193914 /nfs/dbraw/zinc/19/39/14/618193914.db2.gz XPVCPMFOOPBQFZ-TZMCWYRMSA-N 0 1 281.783 2.828 20 30 CFEDMN N#Cc1ccc(O)c(NC(=O)c2ccc(F)cc2)c1 ZINC000176817466 618205210 /nfs/dbraw/zinc/20/52/10/618205210.db2.gz UQILBMRDJUUMON-UHFFFAOYSA-N 0 1 256.236 2.655 20 30 CFEDMN Cc1cccc(O[C@H](C)C(=O)Nc2cc(C#N)ccc2O)c1 ZINC000176826946 618207447 /nfs/dbraw/zinc/20/74/47/618207447.db2.gz XXXOBVZMHSATIN-GFCCVEGCSA-N 0 1 296.326 2.978 20 30 CFEDMN N#Cc1ccc(O)c(NC(=O)CSCc2cccnc2)c1 ZINC000176827587 618207702 /nfs/dbraw/zinc/20/77/02/618207702.db2.gz COWQNSJOCIAJER-UHFFFAOYSA-N 0 1 299.355 2.531 20 30 CFEDMN C=CC[N@@H+](CC(=O)[O-])Cc1ccc(C)c(Cl)c1 ZINC000235753682 618210522 /nfs/dbraw/zinc/21/05/22/618210522.db2.gz VWFUBKWGAXEAHQ-UHFFFAOYSA-N 0 1 253.729 2.721 20 30 CFEDMN C=C(C)CN(CC)Cc1ccc(O)c(OC)c1[N+](=O)[O-] ZINC000891457193 618222189 /nfs/dbraw/zinc/22/21/89/618222189.db2.gz PJILASSKELIKHE-UHFFFAOYSA-N 0 1 280.324 2.707 20 30 CFEDMN C#C[C@H](NCc1cc(Cl)cs1)[C@@H]1CCCO1 ZINC000309647961 618227137 /nfs/dbraw/zinc/22/71/37/618227137.db2.gz RGBDBGAEIHFUQJ-RYUDHWBXSA-N 0 1 255.770 2.672 20 30 CFEDMN CC(C)(C)n1nnc(C=NNc2ccc(Cl)cc2F)n1 ZINC000901317587 620790647 /nfs/dbraw/zinc/79/06/47/620790647.db2.gz KCDLZXXOIUJHNX-UHFFFAOYSA-N 0 1 296.737 2.667 20 30 CFEDMN C=CCN1CCCC[C@@H]1CNC(=O)c1cc(C)oc1C ZINC001024324357 618293334 /nfs/dbraw/zinc/29/33/34/618293334.db2.gz UNOKXLWQADIJQP-CQSZACIVSA-N 0 1 276.380 2.667 20 30 CFEDMN CN1CCN(c2nc(Cl)c(C#N)s2)C[C@@H]1C(C)(C)C ZINC000895101810 618293480 /nfs/dbraw/zinc/29/34/80/618293480.db2.gz OZVHHCCMDSFACS-SNVBAGLBSA-N 0 1 298.843 2.835 20 30 CFEDMN C=C(C)C[N@H+]1CCCC[C@@H]1CNC(=O)c1cccc(C)n1 ZINC001024327342 618295972 /nfs/dbraw/zinc/29/59/72/618295972.db2.gz XOUFKFNNPJZXSV-OAHLLOKOSA-N 0 1 287.407 2.550 20 30 CFEDMN CC(C)(C)[C@@H]1CCN(Cc2csc(C#N)c2)C[C@H]1O ZINC000893311448 618304613 /nfs/dbraw/zinc/30/46/13/618304613.db2.gz WZYZNENQPBSDEW-ZIAGYGMSSA-N 0 1 278.421 2.849 20 30 CFEDMN C=C(C)CN1CCCC[C@@H]1CNC(=O)c1cc(C)sn1 ZINC001024413363 618312391 /nfs/dbraw/zinc/31/23/91/618312391.db2.gz ZZPAUVSQJSRCGM-CYBMUJFWSA-N 0 1 293.436 2.612 20 30 CFEDMN C=CC[N@@H+]1CCCC[C@@H]1CNC(=O)c1cccc(F)c1C ZINC001024448379 618316840 /nfs/dbraw/zinc/31/68/40/618316840.db2.gz LCUHJKAWCDKNLL-CQSZACIVSA-N 0 1 290.382 2.904 20 30 CFEDMN C=CCN1CCCC[C@@H]1CNC(=O)c1cccc(F)c1C ZINC001024448379 618316848 /nfs/dbraw/zinc/31/68/48/618316848.db2.gz LCUHJKAWCDKNLL-CQSZACIVSA-N 0 1 290.382 2.904 20 30 CFEDMN C=CCN1CCCC[C@@H]1CNC(=O)c1conc1C(C)C ZINC001024479991 618329710 /nfs/dbraw/zinc/32/97/10/618329710.db2.gz WBFPJMZVCZMKNZ-CYBMUJFWSA-N 0 1 291.395 2.568 20 30 CFEDMN COc1ccc(CNCc2ccc(O[C@@H](C)C#N)cc2)cn1 ZINC000237236321 618331488 /nfs/dbraw/zinc/33/14/88/618331488.db2.gz ADVKDHQYRZIFAE-ZDUSSCGKSA-N 0 1 297.358 2.671 20 30 CFEDMN O=C(/C=C\c1csc([N+](=O)[O-])c1)c1cc(O)ccc1O ZINC000255842345 618334261 /nfs/dbraw/zinc/33/42/61/618334261.db2.gz GOCYLCUHRWEFJA-IWQZZHSRSA-N 0 1 291.284 2.964 20 30 CFEDMN CCc1nn(C)cc1/C=C\C(=O)c1ccccc1O ZINC000255845967 618339209 /nfs/dbraw/zinc/33/92/09/618339209.db2.gz ZUNGHWGMBSLHPD-HJWRWDBZSA-N 0 1 256.305 2.584 20 30 CFEDMN N#Cc1ccc(O)c(NC(=O)[C@H]2OCCc3ccccc32)c1 ZINC000179739389 618343097 /nfs/dbraw/zinc/34/30/97/618343097.db2.gz DKIOSEMBKNUXSB-INIZCTEOSA-N 0 1 294.310 2.516 20 30 CFEDMN C=CC[N@H+]1CCCC[C@@H]1CNC(=O)c1cccnc1C1CC1 ZINC001024530028 618346630 /nfs/dbraw/zinc/34/66/30/618346630.db2.gz BOIHLGDNAUQWCA-OAHLLOKOSA-N 0 1 299.418 2.729 20 30 CFEDMN C=CCN1CCCC[C@@H]1CNC(=O)c1cccnc1C1CC1 ZINC001024530028 618346635 /nfs/dbraw/zinc/34/66/35/618346635.db2.gz BOIHLGDNAUQWCA-OAHLLOKOSA-N 0 1 299.418 2.729 20 30 CFEDMN C=CCN1CCCC[C@H]1CNC(=O)[C@H]1CC[C@@H]2C[C@@H]2CC1 ZINC001024573260 618387975 /nfs/dbraw/zinc/38/79/75/618387975.db2.gz YXZNINDKDKRWJG-YVSFHVDLSA-N 0 1 290.451 2.969 20 30 CFEDMN C=CCC(CC=C)C(=O)OC[C@@H]1CN(CC(C)C)CCO1 ZINC000151528941 618403735 /nfs/dbraw/zinc/40/37/35/618403735.db2.gz FXFFVCWQLYLZKE-INIZCTEOSA-N 0 1 295.423 2.655 20 30 CFEDMN CCc1cc(CNc2cc(C)cc(F)c2C#N)n[nH]1 ZINC000892504868 618414057 /nfs/dbraw/zinc/41/40/57/618414057.db2.gz DIPQHKZEIWONNF-UHFFFAOYSA-N 0 1 258.300 2.903 20 30 CFEDMN Clc1ccc(C#CCN2CCC[C@H]2c2nnc[nH]2)cc1 ZINC000931134998 618421673 /nfs/dbraw/zinc/42/16/73/618421673.db2.gz RPSYQMONNHRNLH-AWEZNQCLSA-N 0 1 286.766 2.647 20 30 CFEDMN C=CCN1CCCC[C@@H]1CNC(=O)[C@@H]1CCC(C)(C)C1 ZINC001024633068 618426794 /nfs/dbraw/zinc/42/67/94/618426794.db2.gz FBXLQOOTAFJNJI-HUUCEWRRSA-N 0 1 278.440 2.969 20 30 CFEDMN C=CCN1CCCC[C@H]1CNC(=O)c1occc1Cl ZINC001024635695 618428744 /nfs/dbraw/zinc/42/87/44/618428744.db2.gz IENQQTXFCFHIBE-NSHDSACASA-N 0 1 282.771 2.703 20 30 CFEDMN C=CCN1CCCC[C@@H]1CNC(=O)c1occc1Cl ZINC001024635694 618429027 /nfs/dbraw/zinc/42/90/27/618429027.db2.gz IENQQTXFCFHIBE-LLVKDONJSA-N 0 1 282.771 2.703 20 30 CFEDMN C=CCN1CCCC[C@H]1CNC(=O)[C@H]1C[C@@H]1c1ccccc1 ZINC001024696359 618446918 /nfs/dbraw/zinc/44/69/18/618446918.db2.gz HSWANZSHJVBWHW-KSZLIROESA-N 0 1 298.430 2.947 20 30 CFEDMN C#CCN1CCCC[C@@H]1CNC(=O)[C@H]1CC[C@H](CC)CC1 ZINC001024771747 618466154 /nfs/dbraw/zinc/46/61/54/618466154.db2.gz LQJLLVUNPGGZAK-BRWVUGGUSA-N 0 1 290.451 2.807 20 30 CFEDMN C=CCN1CCCC[C@H]1CNC(=O)c1c(F)cccc1F ZINC001024777759 618468669 /nfs/dbraw/zinc/46/86/69/618468669.db2.gz NVBXDGHLPJPQFH-LBPRGKRZSA-N 0 1 294.345 2.735 20 30 CFEDMN C#CCN1CCCC[C@H]1CNC(=O)c1cc(C)cc(C)c1 ZINC001024777299 618468985 /nfs/dbraw/zinc/46/89/85/618468985.db2.gz JJKISWLGCVEDDZ-KRWDZBQOSA-N 0 1 284.403 2.521 20 30 CFEDMN CC#CCN1CCCC[C@@H]1CNC(=O)c1ccc(CC)cc1 ZINC001024786725 618469676 /nfs/dbraw/zinc/46/96/76/618469676.db2.gz PAFXMPQKQSFXGE-GOSISDBHSA-N 0 1 298.430 2.857 20 30 CFEDMN C#CCN1CCCC[C@H]1CNC(=O)c1ccc(C2CC2)cc1 ZINC001024809672 618474996 /nfs/dbraw/zinc/47/49/96/618474996.db2.gz VGPBAGJJYTVGER-SFHVURJKSA-N 0 1 296.414 2.782 20 30 CFEDMN Cc1ccc(N=NCc2ccc(-n3cncn3)c(F)c2)nc1 ZINC000727259600 618475604 /nfs/dbraw/zinc/47/56/04/618475604.db2.gz HQOGMHVVEOUZSA-UHFFFAOYSA-N 0 1 296.309 2.556 20 30 CFEDMN Cc1ccc(NN=C2C(=O)Nc3c2c(F)ccc3C)nc1 ZINC000727260128 618476097 /nfs/dbraw/zinc/47/60/97/618476097.db2.gz RIXORKSPKSMHMV-UHFFFAOYSA-N 0 1 284.294 2.606 20 30 CFEDMN C#CCOc1ccccc1CN[C@H](C)c1ccncc1 ZINC000020121692 618476898 /nfs/dbraw/zinc/47/68/98/618476898.db2.gz RKONDXZASOQZOO-CQSZACIVSA-N 0 1 266.344 2.944 20 30 CFEDMN COc1ccc(CN=Nc2ccc(C)cn2)c(OC)c1 ZINC000727263004 618477953 /nfs/dbraw/zinc/47/79/53/618477953.db2.gz IMAZVHJGWUFHJB-UHFFFAOYSA-N 0 1 271.320 2.853 20 30 CFEDMN C=CCCCN(CC)C(=O)NCc1n[nH]c(C(C)(C)C)n1 ZINC000895305980 618521666 /nfs/dbraw/zinc/52/16/66/618521666.db2.gz BTCDFUXUSBBPQB-UHFFFAOYSA-N 0 1 293.415 2.600 20 30 CFEDMN C=CCOc1cccc(CNC[C@H]2CC(C)=NO2)c1 ZINC000895311756 618527156 /nfs/dbraw/zinc/52/71/56/618527156.db2.gz QXMONOQGBVZDDQ-OAHLLOKOSA-N 0 1 260.337 2.506 20 30 CFEDMN C#CC1(O)CCN(Cc2ccccc2OCCCC)CC1 ZINC000895384494 618561038 /nfs/dbraw/zinc/56/10/38/618561038.db2.gz PZWSHDKHHDVWDM-UHFFFAOYSA-N 0 1 287.403 2.826 20 30 CFEDMN C#CC1(O)CCN(Cc2ccc(C)c(Cl)c2)CC1 ZINC000895383733 618561217 /nfs/dbraw/zinc/56/12/17/618561217.db2.gz BVSLRKCYZIKAHD-UHFFFAOYSA-N 0 1 263.768 2.609 20 30 CFEDMN C#CC1(O)CCN(Cc2cccc(Cl)c2C)CC1 ZINC000895385930 618562429 /nfs/dbraw/zinc/56/24/29/618562429.db2.gz QDXANUHQDJEFRD-UHFFFAOYSA-N 0 1 263.768 2.609 20 30 CFEDMN N#Cc1cccc(CN2CC[C@@H](C(F)(F)F)C2)c1 ZINC000310693352 618606683 /nfs/dbraw/zinc/60/66/83/618606683.db2.gz YLMISGSTLXHRCZ-GFCCVEGCSA-N 0 1 254.255 2.942 20 30 CFEDMN C#CCCN1C[C@H]2CC[C@@H](C1)N2C(=O)C[C@H]1CCC[C@@H]1C ZINC001017577207 618665822 /nfs/dbraw/zinc/66/58/22/618665822.db2.gz HCACFCJAQAJQAO-VVLHAWIVSA-N 0 1 288.435 2.511 20 30 CFEDMN CCCCCCCC[N@H+]1CC[C@](COC)(C(=O)[O-])C1 ZINC000311810198 618724014 /nfs/dbraw/zinc/72/40/14/618724014.db2.gz BARILYBJTCQNEF-HNNXBMFYSA-N 0 1 271.401 2.770 20 30 CFEDMN Cc1nc([C@H]2CCCN(c3cc(C)cc(F)c3C#N)C2)n[nH]1 ZINC000892921539 618769536 /nfs/dbraw/zinc/76/95/36/618769536.db2.gz VMTLHZLOFURWAO-LBPRGKRZSA-N 0 1 299.353 2.816 20 30 CFEDMN Cc1nnc([C@H]2CCCN(c3cc(C)cc(F)c3C#N)C2)[nH]1 ZINC000892921539 618769537 /nfs/dbraw/zinc/76/95/37/618769537.db2.gz VMTLHZLOFURWAO-LBPRGKRZSA-N 0 1 299.353 2.816 20 30 CFEDMN C=CC(C)(C)NC(=O)NCc1ccc(F)c(CN(C)C)c1 ZINC000893037342 618811868 /nfs/dbraw/zinc/81/18/68/618811868.db2.gz PFAVWMLGTONKIS-UHFFFAOYSA-N 0 1 293.386 2.651 20 30 CFEDMN N#Cc1ccc(OCCN2CC[C@@H](C(F)(F)F)C2)cc1 ZINC000312255602 618914521 /nfs/dbraw/zinc/91/45/21/618914521.db2.gz DCUGMJVMDPPBPX-GFCCVEGCSA-N 0 1 284.281 2.821 20 30 CFEDMN C=C(C)C[N@H+]1CCC[C@@H](NC(=O)CC2CCCC2)C1 ZINC001006621928 618914916 /nfs/dbraw/zinc/91/49/16/618914916.db2.gz KDFNYWOIEJOJFX-OAHLLOKOSA-N 0 1 264.413 2.723 20 30 CFEDMN C=C(C)CN1CCC[C@@H](NC(=O)c2cc(C(C)C)no2)C1 ZINC001008749151 618967249 /nfs/dbraw/zinc/96/72/49/618967249.db2.gz QXLPSPWIDXCICV-CYBMUJFWSA-N 0 1 291.395 2.568 20 30 CFEDMN C#CC[NH+](CC#C)Cc1cc(Cl)cc(Cl)c1[O-] ZINC000093461488 619026055 /nfs/dbraw/zinc/02/60/55/619026055.db2.gz ZPNBTTYJNGPZAZ-UHFFFAOYSA-N 0 1 268.143 2.767 20 30 CFEDMN CC(C)CN(CCC#N)CCC(=O)Nc1ccc(C#N)cc1 ZINC000314675280 619089916 /nfs/dbraw/zinc/08/99/16/619089916.db2.gz PJRAXWBGKXPBIK-UHFFFAOYSA-N 0 1 298.390 2.759 20 30 CFEDMN CC[C@H]1CN(CC)CCN1C(=O)Nc1sccc1C#N ZINC000931835907 619125586 /nfs/dbraw/zinc/12/55/86/619125586.db2.gz OIFQZGKBNXCKBL-LBPRGKRZSA-N 0 1 292.408 2.568 20 30 CFEDMN C#C[C@@H](NCc1cc(C)nc2c1CCCC2)[C@@H]1CCCO1 ZINC000893676869 619153592 /nfs/dbraw/zinc/15/35/92/619153592.db2.gz PCYMDSUOWKECRF-AEFFLSMTSA-N 0 1 284.403 2.539 20 30 CFEDMN CCC(C)(C)C(=O)OCC(=O)[C@H](C#N)c1nc(C)cs1 ZINC000726832201 619264949 /nfs/dbraw/zinc/26/49/49/619264949.db2.gz SRPXDLPTUIKCJS-JTQLQIEISA-N 0 1 294.376 2.607 20 30 CFEDMN CCC(C)(C)C(=O)OCC(=O)C(C#N)c1nc(C)cs1 ZINC000726832201 619264951 /nfs/dbraw/zinc/26/49/51/619264951.db2.gz SRPXDLPTUIKCJS-JTQLQIEISA-N 0 1 294.376 2.607 20 30 CFEDMN N#C[C@@H]1CCCN(C(=O)c2cccc(C(F)(F)F)c2O)C1 ZINC000928218218 619323636 /nfs/dbraw/zinc/32/36/36/619323636.db2.gz ZCWSRPCDTVOPDS-VIFPVBQESA-N 0 1 298.264 2.787 20 30 CFEDMN CCCC(O)(CCC)CC(=O)Nc1cc(C#N)ccc1O ZINC000159723940 619365708 /nfs/dbraw/zinc/36/57/08/619365708.db2.gz HRORVZNWQJHGME-UHFFFAOYSA-N 0 1 290.363 2.924 20 30 CFEDMN C=CCN(C)Cc1cc(C(=O)OC)c(C(C)C)[nH]1 ZINC000894495775 619402648 /nfs/dbraw/zinc/40/26/48/619402648.db2.gz QNSXMTZYIQIXCK-UHFFFAOYSA-N 0 1 250.342 2.543 20 30 CFEDMN C#C[C@H](NCc1cccc2[nH]c(=O)oc21)C(C)(C)C ZINC000894517740 619408180 /nfs/dbraw/zinc/40/81/80/619408180.db2.gz PRVCBBXTUKPWCB-LBPRGKRZSA-N 0 1 258.321 2.671 20 30 CFEDMN C=CCN(CCOC)Cc1ccccc1OCC(F)F ZINC000894547952 619417353 /nfs/dbraw/zinc/41/73/53/619417353.db2.gz KNMGWFNLAUUPFO-UHFFFAOYSA-N 0 1 285.334 2.965 20 30 CFEDMN C#CCOc1ccc(CNCc2cnn(C)c2C2CC2)cc1 ZINC000894737087 619453188 /nfs/dbraw/zinc/45/31/88/619453188.db2.gz PIQRZEPUMISNFD-UHFFFAOYSA-N 0 1 295.386 2.599 20 30 CFEDMN C#Cc1cccc(CNCc2cn(C)nc2C2CC2)c1 ZINC000894776341 619459155 /nfs/dbraw/zinc/45/91/55/619459155.db2.gz VMXMEPHWCQXLLV-UHFFFAOYSA-N 0 1 265.360 2.569 20 30 CFEDMN C=C(CC)CNCc1c(NC(=O)OC(C)(C)C)cnn1C ZINC000894776071 619461811 /nfs/dbraw/zinc/46/18/11/619461811.db2.gz TZTFGNPDXFCXTR-UHFFFAOYSA-N 0 1 294.399 2.823 20 30 CFEDMN C#C[C@@H](NCc1ccc(OC)c(OC)c1F)C(C)(C)C ZINC000894784679 619467215 /nfs/dbraw/zinc/46/72/15/619467215.db2.gz MUQFNOREZUEMRJ-CYBMUJFWSA-N 0 1 279.355 2.980 20 30 CFEDMN C=CCN(CCC#N)Cc1cc(F)cc(F)c1O ZINC000894837135 619478888 /nfs/dbraw/zinc/47/88/88/619478888.db2.gz KDRPFYAEPFIWBO-UHFFFAOYSA-N 0 1 252.264 2.572 20 30 CFEDMN C=CC[C@@H]1CCN(Cc2c(Cl)c(C)nn2C)C1 ZINC000895559227 619555440 /nfs/dbraw/zinc/55/54/40/619555440.db2.gz MYAIMSZAHZKGBG-LLVKDONJSA-N 0 1 253.777 2.780 20 30 CFEDMN C=CC[C@H]1CC[N@@H+](Cc2ncc(Br)cc2[O-])C1 ZINC000895560872 619555621 /nfs/dbraw/zinc/55/56/21/619555621.db2.gz UMMJDELCOVEVFD-JTQLQIEISA-N 0 1 297.196 2.948 20 30 CFEDMN C=CC[C@H]1CC[N@H+](Cc2ncc(Br)cc2[O-])C1 ZINC000895560872 619555623 /nfs/dbraw/zinc/55/56/23/619555623.db2.gz UMMJDELCOVEVFD-JTQLQIEISA-N 0 1 297.196 2.948 20 30 CFEDMN C#CCN1CCC(Nc2nc(-c3ccc(C)cc3)no2)CC1 ZINC000895808822 619609584 /nfs/dbraw/zinc/60/95/84/619609584.db2.gz SUWUJNOOOAJMRG-UHFFFAOYSA-N 0 1 296.374 2.555 20 30 CFEDMN C=CCC1(O)CCN(Cc2cnn(CC3CCC3)c2)CC1 ZINC000896057827 619662751 /nfs/dbraw/zinc/66/27/51/619662751.db2.gz HPCYETRQPFEIRN-UHFFFAOYSA-N 0 1 289.423 2.586 20 30 CFEDMN N#C[C@H]1CCCN(Cc2cc(Cl)cc(F)c2O)C1 ZINC000896505594 619752774 /nfs/dbraw/zinc/75/27/74/619752774.db2.gz OLUMUEMSIFXENZ-SECBINFHSA-N 0 1 268.719 2.920 20 30 CFEDMN Cc1cc(C[C@H](C)NC(=O)c2c(C)cc(C#N)cc2C)n[nH]1 ZINC000896819381 619829243 /nfs/dbraw/zinc/82/92/43/619829243.db2.gz PBIPVOXLRJNUKC-LBPRGKRZSA-N 0 1 296.374 2.568 20 30 CFEDMN N#Cc1ccc(O)c(NC(=O)[C@@H]2CCOC3(CCC3)C2)c1 ZINC000896821281 619830185 /nfs/dbraw/zinc/83/01/85/619830185.db2.gz RHUVVIRCIZFCRG-GFCCVEGCSA-N 0 1 286.331 2.552 20 30 CFEDMN Cc1cc(C(C#N)C(=O)[C@H]2CCC(F)(F)C2)nc(C)n1 ZINC000796634871 619912424 /nfs/dbraw/zinc/91/24/24/619912424.db2.gz XHQUUECNXUDZCK-WDEREUQCSA-N 0 1 279.290 2.705 20 30 CFEDMN C#CCN1CCC(C(=O)OC[C@@H](C)C(C)(C)C)CC1 ZINC000869396999 619912887 /nfs/dbraw/zinc/91/28/87/619912887.db2.gz DPEKTRKWTUIZOT-CYBMUJFWSA-N 0 1 265.397 2.557 20 30 CFEDMN C=C(C)[C@@H]1OCC[C@@H]1C(=O)Nc1ccc(F)c(F)c1O ZINC000909571872 619912937 /nfs/dbraw/zinc/91/29/37/619912937.db2.gz FRCVACNIGAZKQL-SDBXPKJASA-N 0 1 283.274 2.590 20 30 CFEDMN C=C1CCC(C(=O)N[C@H](C)Cc2cc(C)[nH]n2)CC1 ZINC000897054617 619921267 /nfs/dbraw/zinc/92/12/67/619921267.db2.gz IYQCGUJWJJAGGT-LLVKDONJSA-N 0 1 261.369 2.512 20 30 CFEDMN CC#CCN(C)Cc1cccc(OCCCOC)c1 ZINC000897167317 619942373 /nfs/dbraw/zinc/94/23/73/619942373.db2.gz YCTNEGMKICVCLS-UHFFFAOYSA-N 0 1 261.365 2.557 20 30 CFEDMN CC#CCN(C)Cc1cn(C)nc1-c1ccc(F)cc1 ZINC000897169584 619943626 /nfs/dbraw/zinc/94/36/26/619943626.db2.gz QNZTVBORVPVEMO-UHFFFAOYSA-N 0 1 271.339 2.681 20 30 CFEDMN CC(C)(C)CN(CCC#N)C(=O)[C@@H]1CCN1C(C)(C)C ZINC000897198953 619947936 /nfs/dbraw/zinc/94/79/36/619947936.db2.gz MTBPLSUOYNELBR-ZDUSSCGKSA-N 0 1 279.428 2.648 20 30 CFEDMN C=CCC[C@@H](CO)NCc1nc(C(C)(C)C)cs1 ZINC000320790218 620033138 /nfs/dbraw/zinc/03/31/38/620033138.db2.gz SYISDFHYLAVLSH-NSHDSACASA-N 0 1 268.426 2.857 20 30 CFEDMN C=C(Cl)CN[C@H]1CCN(C(=O)C2CCCC2)[C@H]1C ZINC000985871239 620046489 /nfs/dbraw/zinc/04/64/89/620046489.db2.gz RLTHMJFNPBRMAN-AAEUAGOBSA-N 0 1 270.804 2.508 20 30 CFEDMN C=C(Cl)CN[C@@H]1CCN(C(=O)Cc2cccs2)[C@@H]1C ZINC000985899447 620050335 /nfs/dbraw/zinc/05/03/35/620050335.db2.gz PQTKGABEYVXIJN-DGCLKSJQSA-N 0 1 298.839 2.622 20 30 CFEDMN C=C(Cl)CN[C@H]1CCN(C(=O)c2ccccc2)[C@H]1C ZINC000985904615 620051284 /nfs/dbraw/zinc/05/12/84/620051284.db2.gz ZOKZOOKOWYGPAS-JSGCOSHPSA-N 0 1 278.783 2.632 20 30 CFEDMN C=C(Cl)CN[C@@H]1CCN(C(=O)c2ccccc2C)[C@H]1C ZINC000985908478 620051339 /nfs/dbraw/zinc/05/13/39/620051339.db2.gz LHICSSADZLPHND-DZGCQCFKSA-N 0 1 292.810 2.940 20 30 CFEDMN CC(C)CC(=O)N1CC[C@H](NCc2ccccc2C#N)[C@H]1C ZINC000985912713 620051756 /nfs/dbraw/zinc/05/17/56/620051756.db2.gz XUVXTPVWIHKTCJ-PBHICJAKSA-N 0 1 299.418 2.683 20 30 CFEDMN C=C(Cl)CN[C@H]1CCN(C(=O)c2occc2C)[C@@H]1C ZINC000985979794 620055860 /nfs/dbraw/zinc/05/58/60/620055860.db2.gz GLHPSZHWHCDELH-NEPJUHHUSA-N 0 1 282.771 2.533 20 30 CFEDMN C=C(Cl)CN[C@H]1CCN(C(=O)c2cc[nH]c2CC)[C@H]1C ZINC000986225968 620076852 /nfs/dbraw/zinc/07/68/52/620076852.db2.gz VIDJKKNXPHMHQI-FZMZJTMJSA-N 0 1 295.814 2.522 20 30 CFEDMN C=C(Cl)CN[C@H]1CCN(C(=O)c2cocc2C)[C@@H]1C ZINC000986671935 620096608 /nfs/dbraw/zinc/09/66/08/620096608.db2.gz QYEDBJZQPJVMSZ-YPMHNXCESA-N 0 1 282.771 2.533 20 30 CFEDMN CC(C)CC(=O)N1C[C@@H](NCc2ccccc2C#N)C[C@@H]1C ZINC000987865622 620157692 /nfs/dbraw/zinc/15/76/92/620157692.db2.gz IVMPKNBZKNEKEF-YOEHRIQHSA-N 0 1 299.418 2.683 20 30 CFEDMN C=C(Cl)CN[C@@H]1C[C@@H](C)N(C(=O)c2ccccc2C)C1 ZINC000987868695 620157980 /nfs/dbraw/zinc/15/79/80/620157980.db2.gz WBPYBZYEDJBSCO-ZIAGYGMSSA-N 0 1 292.810 2.940 20 30 CFEDMN C=C(Cl)CN[C@H]1C[C@@H](C)N(C(=O)Cc2ccsc2)C1 ZINC000987914998 620159016 /nfs/dbraw/zinc/15/90/16/620159016.db2.gz HUVQYOVNKJMBNO-YPMHNXCESA-N 0 1 298.839 2.622 20 30 CFEDMN C=C(Cl)CN[C@H]1C[C@H](C)N(C(=O)CC2CCC2)C1 ZINC000988482616 620190587 /nfs/dbraw/zinc/19/05/87/620190587.db2.gz UMYTVBNJOYFFHM-AAEUAGOBSA-N 0 1 270.804 2.508 20 30 CFEDMN C=C(Cl)CN[C@@H]1C[C@H](C)N(C(=O)c2oc(C)cc2C)C1 ZINC000988526605 620197983 /nfs/dbraw/zinc/19/79/83/620197983.db2.gz FFJJWEHUGJQXGP-WCQYABFASA-N 0 1 296.798 2.842 20 30 CFEDMN C=C(Cl)CN[C@H]1C[C@H](C)N(C(=O)c2cc(C)c(C)o2)C1 ZINC000988611618 620205257 /nfs/dbraw/zinc/20/52/57/620205257.db2.gz JMBSBPBIPJOWHF-AAEUAGOBSA-N 0 1 296.798 2.842 20 30 CFEDMN N#Cc1ccc([C@@H]2CN(C[C@H]3CCSC3)CCO2)cc1 ZINC000897595665 620254510 /nfs/dbraw/zinc/25/45/10/620254510.db2.gz FGYCRRCAAZROAS-ZBFHGGJFSA-N 0 1 288.416 2.685 20 30 CFEDMN C[C@@H](CCC#N)CN1CCO[C@@H](c2ccc(C#N)cc2)C1 ZINC000897596581 620254532 /nfs/dbraw/zinc/25/45/32/620254532.db2.gz RAJXTVFTEYGXLF-WMLDXEAASA-N 0 1 283.375 2.871 20 30 CFEDMN CC(C)[C@@H]1C[C@H](NCc2nc(C#N)cs2)CS1 ZINC000897628880 620263668 /nfs/dbraw/zinc/26/36/68/620263668.db2.gz NZTUUCFJPVNOFF-ONGXEEELSA-N 0 1 267.423 2.634 20 30 CFEDMN Cc1cc(C#N)cc(C)c1CNCc1cnn(CCF)c1 ZINC000897728658 620275109 /nfs/dbraw/zinc/27/51/09/620275109.db2.gz KHJIVNQYJSTVIF-UHFFFAOYSA-N 0 1 286.354 2.631 20 30 CFEDMN C#CCN(Cc1ccccc1)C(=O)[C@@H]1CCN1C(C)(C)C ZINC000897752200 620276336 /nfs/dbraw/zinc/27/63/36/620276336.db2.gz VHWFEDPKTSRHBX-INIZCTEOSA-N 0 1 284.403 2.521 20 30 CFEDMN C=C1CCC(C(=O)N2CCN([C@@H](C)CC)CC2)CC1 ZINC000897919016 620304532 /nfs/dbraw/zinc/30/45/32/620304532.db2.gz CTNLXKUPYOIKQH-AWEZNQCLSA-N 0 1 264.413 2.676 20 30 CFEDMN C[C@@H](c1cccc(C#N)c1)N(C)C(=O)[C@H]1CCN1C(C)(C)C ZINC000898015362 620323126 /nfs/dbraw/zinc/32/31/26/620323126.db2.gz MRXRWBFIEAVAHL-XJKSGUPXSA-N 0 1 299.418 2.950 20 30 CFEDMN C=C[C@H](C)ONC(=O)[C@H](c1ccncc1)C1CCCC1 ZINC000898281008 620364255 /nfs/dbraw/zinc/36/42/55/620364255.db2.gz NOADNVIWAKKGIE-WFASDCNBSA-N 0 1 274.364 2.978 20 30 CFEDMN C=C(C)CN1CCCN(C(=O)C(C)(C)C(C)(F)F)CC1 ZINC000989567802 620381631 /nfs/dbraw/zinc/38/16/31/620381631.db2.gz QFODXCVNWVCRAL-UHFFFAOYSA-N 0 1 288.382 2.778 20 30 CFEDMN C=CCN1CCCN(C(=O)[C@@H](C=C)c2ccccc2)CC1 ZINC000989717881 620388046 /nfs/dbraw/zinc/38/80/46/620388046.db2.gz MEPYPMMRLDWLSB-KRWDZBQOSA-N 0 1 284.403 2.677 20 30 CFEDMN C=CCN1CCCN(C(=O)C23CC(C(C)(C)C)(C2)C3)CC1 ZINC000989765976 620390173 /nfs/dbraw/zinc/39/01/73/620390173.db2.gz PBPGFRIYDPRVHF-UHFFFAOYSA-N 0 1 290.451 2.923 20 30 CFEDMN CC(C)N1CCC[C@@H]1C(=O)OCc1ccc(CC#N)cc1 ZINC000923889731 620442392 /nfs/dbraw/zinc/44/23/92/620442392.db2.gz VRVANZMTLBXSDG-MRXNPFEDSA-N 0 1 286.375 2.669 20 30 CFEDMN C=CCC1(C(=O)N2CC(N3CCCC3)C2)CCCCC1 ZINC000898601916 620483052 /nfs/dbraw/zinc/48/30/52/620483052.db2.gz SDGGKBFOTIHJRR-UHFFFAOYSA-N 0 1 276.424 2.820 20 30 CFEDMN C=CCCONC(=O)[C@H](c1ccncc1)C1CCCC1 ZINC000898938874 620508719 /nfs/dbraw/zinc/50/87/19/620508719.db2.gz BOQDQTSWDLXZJA-HNNXBMFYSA-N 0 1 274.364 2.979 20 30 CFEDMN Cc1nc[nH]c1C(=O)Nc1ccc(C2CC2)c(C#N)c1 ZINC000899222407 620534767 /nfs/dbraw/zinc/53/47/67/620534767.db2.gz MZKWWGXDKAIZPS-UHFFFAOYSA-N 0 1 266.304 2.720 20 30 CFEDMN Cc1ccc(C(=O)/C=C\c2c3c(nn2C)CCC3)c(O)c1 ZINC000899363494 620551115 /nfs/dbraw/zinc/55/11/15/620551115.db2.gz NVKPDQSOJWZVNT-HJWRWDBZSA-N 0 1 282.343 2.819 20 30 CFEDMN Cc1[nH]n(-c2cc(F)ccc2F)c(=O)c1CCC#N ZINC000899362086 620553100 /nfs/dbraw/zinc/55/31/00/620553100.db2.gz JVNDUQWBBKSWIC-JTQLQIEISA-N 0 1 263.247 2.607 20 30 CFEDMN COc1ccc(C(=O)/C=C/c2cn(C)nc2C2CC2)c(O)c1 ZINC000899361915 620553181 /nfs/dbraw/zinc/55/31/81/620553181.db2.gz FOIIJTRPCGDRNV-VMPITWQZSA-N 0 1 298.342 2.908 20 30 CFEDMN O=C(/C=C/c1ccnn1C1CCC1)c1ccc(O)cc1O ZINC000899362507 620553555 /nfs/dbraw/zinc/55/35/55/620553555.db2.gz VVJSTBTVCAFPOU-QPJJXVBHSA-N 0 1 284.315 2.915 20 30 CFEDMN Cc1[nH]n(-c2c(F)cc(F)cc2F)c(=O)c1CCC#N ZINC000899362441 620553607 /nfs/dbraw/zinc/55/36/07/620553607.db2.gz UAEDLJLOHIYDFA-VIFPVBQESA-N 0 1 281.237 2.746 20 30 CFEDMN C=CCOc1cccc(C[N@@H+]2C[C@@H](C)[C@](C)(C(=O)[O-])C2)c1 ZINC000901542185 620851276 /nfs/dbraw/zinc/85/12/76/620851276.db2.gz IXBDYPMKGQSVJO-CXAGYDPISA-N 0 1 289.375 2.794 20 30 CFEDMN C=CC[N@@H+](CC(=O)[O-])Cc1cc(C)c(OC(F)F)c(C)c1 ZINC000901587001 620862845 /nfs/dbraw/zinc/86/28/45/620862845.db2.gz SSAGHFFVQQEAFM-UHFFFAOYSA-N 0 1 299.317 2.977 20 30 CFEDMN C=CC[N@@H+](CC(=O)[O-])Cc1c(C)cc(C)c(COC)c1C ZINC000901585316 620869732 /nfs/dbraw/zinc/86/97/32/620869732.db2.gz FAXNGRRJZLGRQQ-UHFFFAOYSA-N 0 1 291.391 2.831 20 30 CFEDMN C=CCOc1cccc(C[N@@H+](CCC(=O)[O-])CC2CC2)c1 ZINC000901613408 620873764 /nfs/dbraw/zinc/87/37/64/620873764.db2.gz YKYSUSCBRLGNIX-UHFFFAOYSA-N 0 1 289.375 2.938 20 30 CFEDMN C=CCC[C@@H]([NH2+]Cc1ncc(C(C)(C)C)s1)C(=O)[O-] ZINC000901692357 620896253 /nfs/dbraw/zinc/89/62/53/620896253.db2.gz LMOREJZCWPQZMB-SNVBAGLBSA-N 0 1 282.409 2.950 20 30 CFEDMN C=C(Br)CN1CCCCC[C@@H]1C[C@@H](C)O ZINC000163154550 625451480 /nfs/dbraw/zinc/45/14/80/625451480.db2.gz LDDDGEMVBOIVNL-VXGBXAGGSA-N 0 1 276.218 2.911 20 30 CFEDMN C=C(C)C[N@H+](CC)Cc1cc(C(=O)[O-])c(CC)o1 ZINC000902060959 620972072 /nfs/dbraw/zinc/97/20/72/620972072.db2.gz ULLNMZXKPDJASE-UHFFFAOYSA-N 0 1 251.326 2.938 20 30 CFEDMN C=CC[C@@H]1CC[N@H+](Cc2ccc(/C=C/C(=O)[O-])o2)C1 ZINC000902491207 621103070 /nfs/dbraw/zinc/10/30/70/621103070.db2.gz XYSAODRIKKYCHJ-NNNHXZLVSA-N 0 1 261.321 2.775 20 30 CFEDMN C=CC[C@H]1CC[N@H+](Cc2ccc(OCC(=O)[O-])cc2)C1 ZINC000902488009 621112388 /nfs/dbraw/zinc/11/23/88/621112388.db2.gz GPWWOXVPUXKCFV-ZDUSSCGKSA-N 0 1 275.348 2.548 20 30 CFEDMN C=CC[C@H]1CC[N@H+](Cc2ccc(O[C@H](C)C(=O)[O-])cc2)C1 ZINC000902489757 621113258 /nfs/dbraw/zinc/11/32/58/621113258.db2.gz OJAXIZIKUHVGII-KGLIPLIRSA-N 0 1 289.375 2.937 20 30 CFEDMN C=CCCCN(CC)CN1C[C@@H]2CCCCN2C1=O ZINC000902669254 621148807 /nfs/dbraw/zinc/14/88/07/621148807.db2.gz JIWWPWIWCPDLEZ-AWEZNQCLSA-N 0 1 265.401 2.522 20 30 CFEDMN C=CCC[C@@H](NCc1nncn1CC)[C@@]1(C)CCCCO1 ZINC000902746905 621163881 /nfs/dbraw/zinc/16/38/81/621163881.db2.gz AJZWRFTXQBIVPQ-GDBMZVCRSA-N 0 1 292.427 2.682 20 30 CFEDMN C[C@@H](N[C@H](CCO)c1ccccc1)c1cc(C#N)ccn1 ZINC000902816353 621185527 /nfs/dbraw/zinc/18/55/27/621185527.db2.gz ONTFIFZBSWQTCK-CZUORRHYSA-N 0 1 281.359 2.728 20 30 CFEDMN C[C@@H](NCCOCc1ccccc1)c1cc(C#N)ccn1 ZINC000902831460 621186533 /nfs/dbraw/zinc/18/65/33/621186533.db2.gz ZAOCGQPGRCATSG-CQSZACIVSA-N 0 1 281.359 2.821 20 30 CFEDMN C[C@@H](NCc1ccc2c(c1)COC2)c1cc(C#N)ccn1 ZINC000902881898 621198662 /nfs/dbraw/zinc/19/86/62/621198662.db2.gz MNTQKGHFSNFESK-GFCCVEGCSA-N 0 1 279.343 2.834 20 30 CFEDMN CC(C)c1nc([C@@H](C)N[C@@H](C)c2cc(C#N)ccn2)n[nH]1 ZINC000902889423 621200654 /nfs/dbraw/zinc/20/06/54/621200654.db2.gz JDJQUTVSTVFNRL-WDEREUQCSA-N 0 1 284.367 2.607 20 30 CFEDMN C#CCN1CCC(NC(=O)Nc2cccc(C)c2C)CC1 ZINC000902944831 621207261 /nfs/dbraw/zinc/20/72/61/621207261.db2.gz KEKOUTQQPNFDLA-UHFFFAOYSA-N 0 1 285.391 2.523 20 30 CFEDMN C#CCN1CCC(NC(=O)Nc2ccccc2Cl)CC1 ZINC000902939936 621210462 /nfs/dbraw/zinc/21/04/62/621210462.db2.gz LFFHTDXYBAYART-UHFFFAOYSA-N 0 1 291.782 2.559 20 30 CFEDMN C[C@@H](Cc1ccc(F)cc1[N+](=O)[O-])NCC1(C#N)CCC1 ZINC000903035927 621230900 /nfs/dbraw/zinc/23/09/00/621230900.db2.gz WMQHDRRVTHYEGS-NSHDSACASA-N 0 1 291.326 2.948 20 30 CFEDMN N#CC1(CC[N@H+]2CC[C@@H](Nc3ncccn3)C2)CCCCC1 ZINC000903023678 621233943 /nfs/dbraw/zinc/23/39/43/621233943.db2.gz PMLRIBQMGLRKKX-OAHLLOKOSA-N 0 1 299.422 2.827 20 30 CFEDMN C[C@H](NCc1cccc2c1CCOC2)c1cc(C#N)ccn1 ZINC000903077478 621244191 /nfs/dbraw/zinc/24/41/91/621244191.db2.gz JYGBONXXEGDTAV-ZDUSSCGKSA-N 0 1 293.370 2.877 20 30 CFEDMN C=CC[C@H](C)[C@H](C)NCc1ncc(Br)cn1 ZINC000903319387 621321589 /nfs/dbraw/zinc/32/15/89/621321589.db2.gz QONNGKXBVPLRFG-UWVGGRQHSA-N 0 1 284.201 2.929 20 30 CFEDMN C=CCC[C@@H](C)NCc1ncc(Br)cn1 ZINC000903320412 621321685 /nfs/dbraw/zinc/32/16/85/621321685.db2.gz HNCPYGRHQKCZCA-SECBINFHSA-N 0 1 270.174 2.683 20 30 CFEDMN C[C@@H]1CC[C@H](C(=O)[O-])C[N@H+]1CC1CCC(C#N)CC1 ZINC000903406941 621362515 /nfs/dbraw/zinc/36/25/15/621362515.db2.gz AVEUZRAMDWJPOH-RYSNWHEDSA-N 0 1 264.369 2.501 20 30 CFEDMN C[C@H]1CCC[N@@H+](CC2CCC(C#N)CC2)[C@@H]1C(=O)[O-] ZINC000903408028 621363293 /nfs/dbraw/zinc/36/32/93/621363293.db2.gz MURBSXXJMPEHAG-ABXWRUBCSA-N 0 1 264.369 2.501 20 30 CFEDMN CC[N@@H+](CCCCC1(C#N)CCC1)[C@H](C)C(=O)[O-] ZINC000903702438 621421827 /nfs/dbraw/zinc/42/18/27/621421827.db2.gz BZLNEBFJQHQUOE-GFCCVEGCSA-N 0 1 252.358 2.646 20 30 CFEDMN C=C(CC)C[N@H+]1CCOc2c(cccc2C(=O)[O-])C1 ZINC000903920112 621473061 /nfs/dbraw/zinc/47/30/61/621473061.db2.gz BDVKWXJMIMLNER-UHFFFAOYSA-N 0 1 261.321 2.545 20 30 CFEDMN C=CCCC[N@H+](CC)Cc1nc(C(=O)[O-])cs1 ZINC000903961160 621481259 /nfs/dbraw/zinc/48/12/59/621481259.db2.gz NPMFHUDBOVJMMO-UHFFFAOYSA-N 0 1 254.355 2.629 20 30 CFEDMN C=CCCCC[N@@H+]1CC[C@H](C(=O)[O-])C[C@@H]1[C@@H]1CCCO1 ZINC000903945051 621483533 /nfs/dbraw/zinc/48/35/33/621483533.db2.gz UQRPPEFSNQDAJO-ZNMIVQPWSA-N 0 1 281.396 2.687 20 30 CFEDMN C=CCCC[C@@H](N)c1nc(-c2ccc3[nH]cnc3c2)no1 ZINC000904607154 621615578 /nfs/dbraw/zinc/61/55/78/621615578.db2.gz MQGJLPNMSMCZCA-LLVKDONJSA-N 0 1 283.335 2.969 20 30 CFEDMN C[C@](O)(CN[C@H](CCC#N)c1ccccc1)C(F)F ZINC000905179217 621711579 /nfs/dbraw/zinc/71/15/79/621711579.db2.gz IHSYBVORWXTCAO-OCCSQVGLSA-N 0 1 268.307 2.637 20 30 CFEDMN c1ccc(-c2noc(N=NC3C[C@H]4CCC[N@H+](C3)C4)n2)cc1 ZINC000905444754 621773713 /nfs/dbraw/zinc/77/37/13/621773713.db2.gz KUZJJXYASPLWSM-GFCCVEGCSA-N 0 1 297.362 2.620 20 30 CFEDMN c1ccc(-c2noc(N=NC3C[C@H]4CCCN(C3)C4)n2)cc1 ZINC000905444754 621773716 /nfs/dbraw/zinc/77/37/16/621773716.db2.gz KUZJJXYASPLWSM-GFCCVEGCSA-N 0 1 297.362 2.620 20 30 CFEDMN CCOCc1nc(C)cc(N=NC(C)c2ccc(N)cc2)n1 ZINC000905506933 621783125 /nfs/dbraw/zinc/78/31/25/621783125.db2.gz QCYREHTYHLXTCM-UHFFFAOYSA-N 0 1 299.378 2.740 20 30 CFEDMN CC(C)(C)OC(=O)N1CCCCC[C@H]1CNCCC#N ZINC000905689136 621818806 /nfs/dbraw/zinc/81/88/06/621818806.db2.gz KVIFSTFXQBRVPI-ZDUSSCGKSA-N 0 1 281.400 2.669 20 30 CFEDMN N#CCC[C@@H](C#N)CNCCc1ccc2ncccc2c1 ZINC000905849586 621887725 /nfs/dbraw/zinc/88/77/25/621887725.db2.gz HJCDODRDUZKKMW-HNNXBMFYSA-N 0 1 278.359 2.810 20 30 CFEDMN Cc1nc2c(n1C[C@H](O)CC1(C#N)CCC1)CCCC2 ZINC000905962801 621913195 /nfs/dbraw/zinc/91/31/95/621913195.db2.gz NHTYUEUQDHFOEZ-CYBMUJFWSA-N 0 1 273.380 2.515 20 30 CFEDMN Cc1cc(C(=O)N2CCN(C)C[C@@H]2C(C)C)cc(C)c1C#N ZINC000906765619 622042872 /nfs/dbraw/zinc/04/28/72/622042872.db2.gz HIDFCTAQSKLASF-QGZVFWFLSA-N 0 1 299.418 2.587 20 30 CFEDMN CN(C)c1ccnc(NC(=O)[C@]2(C#N)CC3CCC2CC3)c1 ZINC000907323628 622114025 /nfs/dbraw/zinc/11/40/25/622114025.db2.gz HRMQBJQXCRNOHH-FVKWTLKZSA-N 0 1 298.390 2.806 20 30 CFEDMN C=CCCCCCCCNC(=O)c1[nH]ncc1F ZINC000908258706 622208970 /nfs/dbraw/zinc/20/89/70/622208970.db2.gz HEJQZTXUJHQNTP-UHFFFAOYSA-N 0 1 253.321 2.805 20 30 CFEDMN N#CCCC[C@H](NC(=O)c1[nH]ncc1F)c1ccccc1 ZINC000908382514 622223958 /nfs/dbraw/zinc/22/39/58/622223958.db2.gz JPIDMXDCPUWODS-ZDUSSCGKSA-N 0 1 286.310 2.714 20 30 CFEDMN CCC[C@H](C)CC(=O)[C@@H](C#N)C(=O)NC1CCCC1 ZINC000155491167 622271012 /nfs/dbraw/zinc/27/10/12/622271012.db2.gz MNPXKCLYISBIHY-WCQYABFASA-N 0 1 264.369 2.580 20 30 CFEDMN C[C@@H](NN=C1CCc2cc(N)ccc21)c1ccncc1 ZINC000819817665 622564270 /nfs/dbraw/zinc/56/42/70/622564270.db2.gz DBJYOXYZUWIXIL-LLVKDONJSA-N 0 1 266.348 2.665 20 30 CFEDMN C[C@@H]1CCCC[C@@H]1C(=O)C(C#N)C(=O)NCc1ccccc1 ZINC000819944712 622579950 /nfs/dbraw/zinc/57/99/50/622579950.db2.gz OUELAZJJYPETEX-KBMXLJTQSA-N 0 1 298.386 2.838 20 30 CFEDMN C#CCCN1CCN(c2cccc(C(F)F)c2C#N)CC1 ZINC000820652859 622727590 /nfs/dbraw/zinc/72/75/90/622727590.db2.gz ZLPFVLRAYPXJIR-UHFFFAOYSA-N 0 1 289.329 2.641 20 30 CFEDMN C=CC[N@H+]1CC[C@@]2(NC(=O)c3ccc(CC)o3)CCC[C@@H]12 ZINC000991415882 622790260 /nfs/dbraw/zinc/79/02/60/622790260.db2.gz LUZWOLUDDUVWJZ-WBVHZDCISA-N 0 1 288.391 2.755 20 30 CFEDMN CCCCCCCCNC(=O)[C@@H]1C[C@H]1c1cnc[nH]1 ZINC000821307991 622890263 /nfs/dbraw/zinc/89/02/63/622890263.db2.gz WGVQLEZTJFTEAP-CHWSQXEVSA-N 0 1 263.385 2.990 20 30 CFEDMN C#CCOc1ccc(F)cc1NC(=O)c1cn[nH]c1C1CC1 ZINC000184443848 625603437 /nfs/dbraw/zinc/60/34/37/625603437.db2.gz TWSKOECAYVORPN-UHFFFAOYSA-N 0 1 299.305 2.691 20 30 CFEDMN CC(C)(C(=O)Nc1cc(F)cc(C#N)c1)N1CCCCC1 ZINC000913431265 622901902 /nfs/dbraw/zinc/90/19/02/622901902.db2.gz VJSNDIRVFKECQA-UHFFFAOYSA-N 0 1 289.354 2.900 20 30 CFEDMN N#Cc1ccc(O)c(NC(=O)C2CCC=CCC2)c1 ZINC000821349437 622901906 /nfs/dbraw/zinc/90/19/06/622901906.db2.gz RULIQNSNKQSGQG-UHFFFAOYSA-N 0 1 256.305 2.949 20 30 CFEDMN CC(C)(C)c1nc(C(=O)Nc2cc(C#N)ccc2O)co1 ZINC000821348671 622902031 /nfs/dbraw/zinc/90/20/31/622902031.db2.gz FPSPHWPXMUQABS-UHFFFAOYSA-N 0 1 285.303 2.802 20 30 CFEDMN N#CC(C(=O)CSCc1cscn1)c1ccccn1 ZINC000156472672 622945013 /nfs/dbraw/zinc/94/50/13/622945013.db2.gz MIUJRMWYIMPDJD-NSHDSACASA-N 0 1 289.385 2.648 20 30 CFEDMN CNC(=O)c1ccc(/C=C/C(=O)c2ccccc2O)cc1 ZINC000156607136 622948282 /nfs/dbraw/zinc/94/82/82/622948282.db2.gz UHPLFCZGSZKTJR-DHZHZOJOSA-N 0 1 281.311 2.648 20 30 CFEDMN CCn1cc(/C=C/C(=O)c2ccc(OC)cc2O)cn1 ZINC000156615566 622951845 /nfs/dbraw/zinc/95/18/45/622951845.db2.gz GQARQGPPNOVCRU-QPJJXVBHSA-N 0 1 272.304 2.513 20 30 CFEDMN C=C[C@@H](CC)CC(=O)N1CCN(CC)C[C@H]1CC ZINC000821782008 622974987 /nfs/dbraw/zinc/97/49/87/622974987.db2.gz RQJWYDHFYOKWQF-UONOGXRCSA-N 0 1 252.402 2.531 20 30 CFEDMN O=C(/C=C/c1cc(O)ccc1[N+](=O)[O-])c1cccc(O)c1 ZINC000157218550 623014084 /nfs/dbraw/zinc/01/40/84/623014084.db2.gz XVOYKZMNOFCMIP-QPJJXVBHSA-N 0 1 285.255 2.902 20 30 CFEDMN C=C(C)[C@H](NC(=O)CN1CCCC1)c1ccc(F)c(F)c1 ZINC000822044288 623023276 /nfs/dbraw/zinc/02/32/76/623023276.db2.gz SEOZREZZBZYWNY-INIZCTEOSA-N 0 1 294.345 2.794 20 30 CFEDMN O=C(/C=C\c1ccccc1[N+](=O)[O-])c1ccc(O)cc1O ZINC000225222287 623032979 /nfs/dbraw/zinc/03/29/79/623032979.db2.gz PZNSXDODRVGONW-YVMONPNESA-N 0 1 285.255 2.902 20 30 CFEDMN C#CCN(Cc1ccccc1)C[C@H](O)c1cccc(OC)c1 ZINC000157540032 623039047 /nfs/dbraw/zinc/03/90/47/623039047.db2.gz MBMJLTFNAKMLFW-IBGZPJMESA-N 0 1 295.382 2.864 20 30 CFEDMN C=CC1(CC(=O)NC(C)(C)c2c[nH]nn2)CCCCC1 ZINC000822354673 623088338 /nfs/dbraw/zinc/08/83/38/623088338.db2.gz WZSVNZGFOJXDHJ-UHFFFAOYSA-N 0 1 276.384 2.683 20 30 CFEDMN CCCCCCCN(C)[C@@H](C)[C@@H](C)S(C)(=O)=O ZINC000158152352 623099255 /nfs/dbraw/zinc/09/92/55/623099255.db2.gz JZANZZOQTXGGSE-QWHCGFSZSA-N 0 1 263.447 2.710 20 30 CFEDMN COc1ccc(CNCc2ccccc2F)cc1C#N ZINC000087822390 623277686 /nfs/dbraw/zinc/27/76/86/623277686.db2.gz VIPJKFUOBZJMTP-UHFFFAOYSA-N 0 1 270.307 2.996 20 30 CFEDMN C#CCN(CC)Cc1ccc2c(c1)OCCCCO2 ZINC000823418051 623313165 /nfs/dbraw/zinc/31/31/65/623313165.db2.gz AXIZXWMZEWCRJL-UHFFFAOYSA-N 0 1 259.349 2.693 20 30 CFEDMN C#CC[C@@H]1CCCN(C(=O)c2cc(F)cc(F)c2O)C1 ZINC000823505671 623336253 /nfs/dbraw/zinc/33/62/53/623336253.db2.gz DYAZWOXIBPSCGY-SNVBAGLBSA-N 0 1 279.286 2.546 20 30 CFEDMN CCCCC[C@@H](C)CC(=O)[C@H](C#N)C(=O)NC1CC1 ZINC000173973475 623378087 /nfs/dbraw/zinc/37/80/87/623378087.db2.gz QFHHOMRDTLLOMW-YPMHNXCESA-N 0 1 264.369 2.580 20 30 CFEDMN CCCCC[C@H](C)CC(=O)[C@@H](C#N)C(=O)NC1CC1 ZINC000173973461 623378176 /nfs/dbraw/zinc/37/81/76/623378176.db2.gz QFHHOMRDTLLOMW-WCQYABFASA-N 0 1 264.369 2.580 20 30 CFEDMN CC(C)NC(=O)C(C#N)C(=O)CCCC1CCCC1 ZINC000173983621 623378885 /nfs/dbraw/zinc/37/88/85/623378885.db2.gz VLSBWYIYQBHSIY-ZDUSSCGKSA-N 0 1 264.369 2.580 20 30 CFEDMN C=CC1CCN(CN2C[C@H](CC(C)C)CC2=O)CC1 ZINC000174077078 623385434 /nfs/dbraw/zinc/38/54/34/623385434.db2.gz IIOBGKCKBAMRLG-OAHLLOKOSA-N 0 1 264.413 2.737 20 30 CFEDMN C=CCCC[C@@H](C)[NH2+]Cc1ccc(-c2nnn[n-]2)s1 ZINC000823894189 623415296 /nfs/dbraw/zinc/41/52/96/623415296.db2.gz JNRJPEUPTQCXCS-SNVBAGLBSA-N 0 1 277.397 2.763 20 30 CFEDMN C=CCCC[C@@H](C)[NH2+]Cc1ccc(-c2nn[n-]n2)s1 ZINC000823894189 623415301 /nfs/dbraw/zinc/41/53/01/623415301.db2.gz JNRJPEUPTQCXCS-SNVBAGLBSA-N 0 1 277.397 2.763 20 30 CFEDMN CCCCCc1cc(C(=O)N2CCC(C#N)CC2)n[nH]1 ZINC000824720251 623552043 /nfs/dbraw/zinc/55/20/43/623552043.db2.gz MKJHVBKOECOUQI-UHFFFAOYSA-N 0 1 274.368 2.518 20 30 CFEDMN C#CCCCCC(=O)N1C[C@@H]2C[C@H]1CN2Cc1ccccc1 ZINC000913685904 623559875 /nfs/dbraw/zinc/55/98/75/623559875.db2.gz LRPWZNAGANTLTM-ROUUACIJSA-N 0 1 296.414 2.665 20 30 CFEDMN C#CCN1CC[C@@]2(NC(=O)c3cc(C)cc(C)c3)CCC[C@@H]12 ZINC000992443994 623561057 /nfs/dbraw/zinc/56/10/57/623561057.db2.gz ADKIXBWVKGTKLS-MJGOQNOKSA-N 0 1 296.414 2.663 20 30 CFEDMN COC(=O)C1(C#N)CCN(Cc2c(C)cccc2C)CC1 ZINC000824867452 623581281 /nfs/dbraw/zinc/58/12/81/623581281.db2.gz PFSVJCHLJULNMB-UHFFFAOYSA-N 0 1 286.375 2.582 20 30 CFEDMN C=C[C@@H]1OCCC[C@H]1NCc1ccnc(Cl)c1F ZINC000824955163 623594947 /nfs/dbraw/zinc/59/49/47/623594947.db2.gz UMTSPJQOKMGACE-MNOVXSKESA-N 0 1 270.735 2.697 20 30 CFEDMN C=CCN1CC[C@@]2(NC(=O)c3ccc(F)s3)CCC[C@H]12 ZINC000992525135 623638312 /nfs/dbraw/zinc/63/83/12/623638312.db2.gz VZSBUQYVFGOICN-WFASDCNBSA-N 0 1 294.395 2.800 20 30 CFEDMN N#CCCCC[NH2+]Cc1ccc(Br)cc1[O-] ZINC000825246427 623657974 /nfs/dbraw/zinc/65/79/74/623657974.db2.gz AJLJICIICQDFCQ-UHFFFAOYSA-N 0 1 283.169 2.938 20 30 CFEDMN C#C[C@@H]([NH2+]Cc1cc(Cl)c(C)cc1[O-])[C@H]1CCCO1 ZINC000825548563 623713434 /nfs/dbraw/zinc/71/34/34/623713434.db2.gz HQWYSWRKULUUQB-UKRRQHHQSA-N 0 1 279.767 2.624 20 30 CFEDMN CCn1nccc1/C=C/C(=O)c1ccc(O)c(F)c1 ZINC000152652043 623749177 /nfs/dbraw/zinc/74/91/77/623749177.db2.gz DLGOXROPSBOMTK-GQCTYLIASA-N 0 1 260.268 2.644 20 30 CFEDMN CC#CCN1CCC[C@@H](NC(=O)c2ccccc2C)[C@H]1C ZINC000992990242 623833155 /nfs/dbraw/zinc/83/31/55/623833155.db2.gz ZJXBKWLTWAAYTR-NVXWUHKLSA-N 0 1 284.403 2.601 20 30 CFEDMN C=C(C)CN1CCC[C@@H](NC(=O)c2occc2C)[C@@H]1C ZINC000993036547 623859932 /nfs/dbraw/zinc/85/99/32/623859932.db2.gz KXZGHGXNNSBZOT-UONOGXRCSA-N 0 1 276.380 2.747 20 30 CFEDMN CC(C)[C@H]1CC[N@H+]([C@@H](C(=O)[O-])c2cccc(C#N)c2)C1 ZINC000826736051 623862468 /nfs/dbraw/zinc/86/24/68/623862468.db2.gz NMNWFHLSXJBKTG-LSDHHAIUSA-N 0 1 272.348 2.662 20 30 CFEDMN C=C(C)CN1CCC[C@H](NC(=O)c2scnc2C)[C@H]1C ZINC000993075611 623890979 /nfs/dbraw/zinc/89/09/79/623890979.db2.gz YORWNZRYRJBIPZ-OLZOCXBDSA-N 0 1 293.436 2.610 20 30 CFEDMN Cc1[nH+]c(C=NNc2cccc(C(=O)[O-])c2)c2ccccn12 ZINC000914601405 623908212 /nfs/dbraw/zinc/90/82/12/623908212.db2.gz OHQCVYMUQVWLNX-UHFFFAOYSA-N 0 1 294.314 2.787 20 30 CFEDMN c1ccc2c(c1)NCCCC2=NOC[C@@H]1CCOC1 ZINC000788032582 623953530 /nfs/dbraw/zinc/95/35/30/623953530.db2.gz CAXOQSACRCVJJT-GFCCVEGCSA-N 0 1 260.337 2.650 20 30 CFEDMN CC#CCN1CCC[C@H](NC(=O)CC2=CCCCC2)[C@H]1C ZINC000993164158 623971017 /nfs/dbraw/zinc/97/10/17/623971017.db2.gz YYKVLXDYSGZSOY-WBVHZDCISA-N 0 1 288.435 2.869 20 30 CFEDMN CC#CCN1CCC[C@@H](NC(=O)c2cscc2C)[C@@H]1C ZINC000993197553 624015721 /nfs/dbraw/zinc/01/57/21/624015721.db2.gz DIEKBIRXNXBHPS-DZGCQCFKSA-N 0 1 290.432 2.663 20 30 CFEDMN N#Cc1ccccc1N1CCCN(C/C=C\Cl)CC1 ZINC000915363875 624031045 /nfs/dbraw/zinc/03/10/45/624031045.db2.gz ILQHMQGARRRGDQ-CLTKARDFSA-N 0 1 275.783 2.823 20 30 CFEDMN CCCCCCCCCCC(=O)N[C@H]1CNC[C@H]1C#N ZINC000834489103 625693415 /nfs/dbraw/zinc/69/34/15/625693415.db2.gz JQWFCPAVSJHTBM-CABCVRRESA-N 0 1 279.428 2.745 20 30 CFEDMN CC(C)c1ccc([C@H](C)CC(=O)N[C@H]2CNC[C@H]2C#N)cc1 ZINC000834490690 625693691 /nfs/dbraw/zinc/69/36/91/625693691.db2.gz WSANPGZNJLMPDL-XYPHTWIQSA-N 0 1 299.418 2.531 20 30 CFEDMN C=CCN1CCC[C@@H](NC(=O)c2cc(C)c(C)o2)[C@@H]1C ZINC000993227554 624054594 /nfs/dbraw/zinc/05/45/94/624054594.db2.gz UEUQTMVMTWJQEB-GXTWGEPZSA-N 0 1 276.380 2.665 20 30 CFEDMN C=CCN(CC=C)C[C@H]1CN(C2CCCCC2)C(=O)O1 ZINC000827782375 624091417 /nfs/dbraw/zinc/09/14/17/624091417.db2.gz FTXDYHZZLFKYLK-HNNXBMFYSA-N 0 1 278.396 2.814 20 30 CFEDMN C#CCC[N@@H+](CCOC)Cc1c([O-])cccc1Cl ZINC000827822918 624102543 /nfs/dbraw/zinc/10/25/43/624102543.db2.gz GWVYLBWWYYJPPT-UHFFFAOYSA-N 0 1 267.756 2.517 20 30 CFEDMN C#CCC[N@H+](CCOC)Cc1c([O-])cccc1Cl ZINC000827822918 624102545 /nfs/dbraw/zinc/10/25/45/624102545.db2.gz GWVYLBWWYYJPPT-UHFFFAOYSA-N 0 1 267.756 2.517 20 30 CFEDMN C=CCN1CCC[C@@H](NC(=O)c2[nH]ccc2C2CC2)[C@H]1C ZINC000993410681 624136996 /nfs/dbraw/zinc/13/69/96/624136996.db2.gz PBHXTXZKXSJIOT-IUODEOHRSA-N 0 1 287.407 2.661 20 30 CFEDMN C=CCN1CCC[C@H](NC(=O)c2cccnc2C2CC2)[C@@H]1C ZINC000993528854 624150434 /nfs/dbraw/zinc/15/04/34/624150434.db2.gz MUZXKFWWVGQZFX-BBRMVZONSA-N 0 1 299.418 2.728 20 30 CFEDMN C=CCN1CCC[C@@H](NC(=O)c2c(C)oc(C)c2C)[C@H]1C ZINC000993581416 624151091 /nfs/dbraw/zinc/15/10/91/624151091.db2.gz CCRQOYBBODDFIU-IUODEOHRSA-N 0 1 290.407 2.974 20 30 CFEDMN C=CCN1CCC[C@H](NC(=O)c2cc(F)ccc2C)[C@H]1C ZINC000993654307 624156276 /nfs/dbraw/zinc/15/62/76/624156276.db2.gz FLTBBBJQOYFOQY-CJNGLKHVSA-N 0 1 290.382 2.903 20 30 CFEDMN C=CCN1CCC[C@@H](NC(=O)c2cc[nH]c2C2CC2)[C@@H]1C ZINC000993710241 624159321 /nfs/dbraw/zinc/15/93/21/624159321.db2.gz GMSNKKJLLBBZGC-SWLSCSKDSA-N 0 1 287.407 2.661 20 30 CFEDMN C#CCN1CCC[C@H](NC(=O)c2ccc(C=C)cc2)[C@@H]1C ZINC000993858276 624170474 /nfs/dbraw/zinc/17/04/74/624170474.db2.gz HQJIPHNKLBLQKP-YOEHRIQHSA-N 0 1 282.387 2.546 20 30 CFEDMN C#CCN1CCC[C@@H](NC(=O)c2ccc(C=C)cc2)[C@@H]1C ZINC000993858267 624171218 /nfs/dbraw/zinc/17/12/18/624171218.db2.gz HQJIPHNKLBLQKP-WMLDXEAASA-N 0 1 282.387 2.546 20 30 CFEDMN C=CCN1CCC[C@H](NC(=O)C2Cc3ccccc3C2)[C@H]1C ZINC000993881421 624172498 /nfs/dbraw/zinc/17/24/98/624172498.db2.gz VRROWMNCEPCBFC-KDOFPFPSSA-N 0 1 298.430 2.557 20 30 CFEDMN C=CCN1CCC[C@@H](NC(=O)C2(F)CCCCC2)[C@@H]1C ZINC000994154868 624180346 /nfs/dbraw/zinc/18/03/46/624180346.db2.gz DEWSWODZSSIOIN-UONOGXRCSA-N 0 1 282.403 2.814 20 30 CFEDMN Cc1cc(N=NCc2ccc(F)cc2F)nc(C)n1 ZINC000915970529 624197337 /nfs/dbraw/zinc/19/73/37/624197337.db2.gz FIJOABWAAAJSCS-UHFFFAOYSA-N 0 1 262.263 2.818 20 30 CFEDMN C(=NNCCN1CCCCC1)c1ccc2ncccc2c1 ZINC000915974963 624199917 /nfs/dbraw/zinc/19/99/17/624199917.db2.gz YBZFTSLROGWOOK-UHFFFAOYSA-N 0 1 282.391 2.644 20 30 CFEDMN C=CCN1CCC[C@H](NC(=O)c2ccc(F)cc2C)[C@H]1C ZINC000994250693 624230081 /nfs/dbraw/zinc/23/00/81/624230081.db2.gz KSVAYCIMKNAIFJ-CJNGLKHVSA-N 0 1 290.382 2.903 20 30 CFEDMN COc1cc(C=NNc2ccccn2)cc(OC)c1 ZINC000916273840 624234484 /nfs/dbraw/zinc/23/44/84/624234484.db2.gz UUKNTRGELBKXDZ-UHFFFAOYSA-N 0 1 257.293 2.545 20 30 CFEDMN CCCN1c2ccccc2C(=N[N-]c2cccc[nH+]2)C1=O ZINC000916276000 624234600 /nfs/dbraw/zinc/23/46/00/624234600.db2.gz FXUMYRAVHCJFQU-UHFFFAOYSA-N 0 1 280.331 2.654 20 30 CFEDMN CN(C)c1ccc(C=[NH+][N-]c2ccc(Cl)nn2)cc1 ZINC000916288409 624235849 /nfs/dbraw/zinc/23/58/49/624235849.db2.gz ZGHJRTWXIFVDPY-UHFFFAOYSA-N 0 1 275.743 2.642 20 30 CFEDMN C=CCN1CCC[C@H](NC(=O)[C@H]2CC[C@H](C)CC2)[C@H]1C ZINC000994274781 624268462 /nfs/dbraw/zinc/26/84/62/624268462.db2.gz NEKRTMIKLIBADU-FPCVCCKLSA-N 0 1 278.440 2.968 20 30 CFEDMN C=CC[N@@H+]1CCC[C@@H](NC(=O)c2c(F)cccc2F)[C@H]1C ZINC000994301910 624275114 /nfs/dbraw/zinc/27/51/14/624275114.db2.gz TZQZWXUPDZSHTA-BXUZGUMPSA-N 0 1 294.345 2.734 20 30 CFEDMN C=CCN1CCC[C@@H](NC(=O)c2c(F)cccc2F)[C@H]1C ZINC000994301910 624275115 /nfs/dbraw/zinc/27/51/15/624275115.db2.gz TZQZWXUPDZSHTA-BXUZGUMPSA-N 0 1 294.345 2.734 20 30 CFEDMN C=CCN1CCC[C@H](NC(=O)c2ccc(C3CC3)cn2)[C@H]1C ZINC000994324242 624276219 /nfs/dbraw/zinc/27/62/19/624276219.db2.gz FORCUONBZBXCMM-CJNGLKHVSA-N 0 1 299.418 2.728 20 30 CFEDMN C[C@H](CC(=O)C(C#N)C(=O)N1CCCC1)CC(C)(C)C ZINC000916870966 624289464 /nfs/dbraw/zinc/28/94/64/624289464.db2.gz HBMXPNRIVCNKDJ-OLZOCXBDSA-N 0 1 278.396 2.780 20 30 CFEDMN COc1cccc(NC(=O)C(C#N)C(=O)CC(C)(C)C)c1 ZINC000916890549 624291153 /nfs/dbraw/zinc/29/11/53/624291153.db2.gz LHPHIUQFLXVPIU-CYBMUJFWSA-N 0 1 288.347 2.779 20 30 CFEDMN N#CC(C(=O)CC1CC1)C(=O)Nc1ccc(Cl)cc1 ZINC000916884506 624291189 /nfs/dbraw/zinc/29/11/89/624291189.db2.gz CUKRXNDDFRACET-GFCCVEGCSA-N 0 1 276.723 2.787 20 30 CFEDMN CC#CCN1CCC[C@H](NC(=O)C2CCC=CCC2)[C@@H]1C ZINC000994452283 624302367 /nfs/dbraw/zinc/30/23/67/624302367.db2.gz PIEUFZROJDACEH-RDJZCZTQSA-N 0 1 288.435 2.725 20 30 CFEDMN C=CCN(CC(=O)N[C@H]1CCCC[C@H]1C)C(C)C ZINC000917070873 624307824 /nfs/dbraw/zinc/30/78/24/624307824.db2.gz IPSYBXCURCODJQ-KGLIPLIRSA-N 0 1 252.402 2.578 20 30 CFEDMN C[C@H]1CCCCN1CC(N)=NOCCCCC(F)(F)F ZINC000154332423 624325339 /nfs/dbraw/zinc/32/53/39/624325339.db2.gz FWXGJBPJKIUZER-NSHDSACASA-N 0 1 295.349 2.882 20 30 CFEDMN C(=NNc1nc2ccccc2[nH]1)c1cccc2c1OCCO2 ZINC000917533201 624355594 /nfs/dbraw/zinc/35/55/94/624355594.db2.gz BNOLPXXUALIKSN-UHFFFAOYSA-N 0 1 294.314 2.780 20 30 CFEDMN C=C[C@@H](CC)CC(=O)N1CCc2nc[nH]c2C12CCC2 ZINC000829052246 624361677 /nfs/dbraw/zinc/36/16/77/624361677.db2.gz SZBJPZWJQQCHOC-LBPRGKRZSA-N 0 1 273.380 2.776 20 30 CFEDMN CC[C@@H]1C[N@@H+](CC)CCN1c1nc(Cl)c(C#N)s1 ZINC000829126226 624378261 /nfs/dbraw/zinc/37/82/61/624378261.db2.gz DZLPCCBUUNDZAK-SECBINFHSA-N 0 1 284.816 2.589 20 30 CFEDMN CC[C@@H]1CN(CC)CCN1c1nc(Cl)c(C#N)s1 ZINC000829126226 624378266 /nfs/dbraw/zinc/37/82/66/624378266.db2.gz DZLPCCBUUNDZAK-SECBINFHSA-N 0 1 284.816 2.589 20 30 CFEDMN C=CC1(CC(=O)NC[C@H]2CCN2CC)CCCCC1 ZINC000829450383 624435387 /nfs/dbraw/zinc/43/53/87/624435387.db2.gz RDGYZMYXTSYKPF-CQSZACIVSA-N 0 1 264.413 2.723 20 30 CFEDMN CC(C)C#CC(=O)NC[C@H](c1ccc(Cl)cc1)N(C)C ZINC000829492663 624444652 /nfs/dbraw/zinc/44/46/52/624444652.db2.gz FSGRVSWIKRWBSO-OAHLLOKOSA-N 0 1 292.810 2.718 20 30 CFEDMN C#CC[C@H]1CCCN(CC(=O)N2c3ccccc3C[C@@H]2C)C1 ZINC000829768572 624527720 /nfs/dbraw/zinc/52/77/20/624527720.db2.gz GNETYCFNXXWXAJ-HOTGVXAUSA-N 0 1 296.414 2.700 20 30 CFEDMN C#CC[C@H]1CCCN([C@H](C)c2nc(-c3cccnc3)no2)C1 ZINC000829778557 624533282 /nfs/dbraw/zinc/53/32/82/624533282.db2.gz DWCVDDTXMPTLPI-KGLIPLIRSA-N 0 1 296.374 2.928 20 30 CFEDMN C#CC[C@@H]1CCCN(Cc2cc(C(=O)OC)ccc2F)C1 ZINC000829811128 624550478 /nfs/dbraw/zinc/55/04/78/624550478.db2.gz YKAXEGTWVZJURP-CYBMUJFWSA-N 0 1 289.350 2.848 20 30 CFEDMN C#CC1CCN(CC(=O)N[C@@H](C)c2ccc(C)c(C)c2)CC1 ZINC000830301362 624703246 /nfs/dbraw/zinc/70/32/46/624703246.db2.gz KNLXQHRITCBRFE-INIZCTEOSA-N 0 1 298.430 2.826 20 30 CFEDMN COc1c(C)cc(C=NNCCN2CCCCC2)cc1C ZINC000920374796 624715741 /nfs/dbraw/zinc/71/57/41/624715741.db2.gz LKEQFAFKDLZKHG-UHFFFAOYSA-N 0 1 289.423 2.721 20 30 CFEDMN O=c1c2ccccc2[nH]c(=S)n1N=CC=Cc1ccco1 ZINC000920370625 624716242 /nfs/dbraw/zinc/71/62/42/624716242.db2.gz LGAKJOZNUXPXFZ-QKYNCGQJSA-N 0 1 297.339 2.826 20 30 CFEDMN Cc1cc(C)cc(C=NNCCN2CCCCC2)c1 ZINC000921258123 624831993 /nfs/dbraw/zinc/83/19/93/624831993.db2.gz LJQVJMZGUUOYRK-UHFFFAOYSA-N 0 1 259.397 2.713 20 30 CFEDMN N#Cc1ccc(Br)c(CNC[C@H]2CCCO2)c1 ZINC000921476574 624906930 /nfs/dbraw/zinc/90/69/30/624906930.db2.gz HPOGITOCMCFOBZ-GFCCVEGCSA-N 0 1 295.180 2.589 20 30 CFEDMN CCCCCCCCNC(=O)[C@@H]1CCCc2n[nH]nc21 ZINC000831172541 624968267 /nfs/dbraw/zinc/96/82/67/624968267.db2.gz KTMJTQUNVYSCDD-GFCCVEGCSA-N 0 1 278.400 2.701 20 30 CFEDMN CCc1ccccc1CN1CCC(C#N)(C(=O)OC)CC1 ZINC000831699144 625099852 /nfs/dbraw/zinc/09/98/52/625099852.db2.gz HXJFRZJCHAATBL-UHFFFAOYSA-N 0 1 286.375 2.528 20 30 CFEDMN C=CC[N@H+](CCCCC(=O)[O-])Cc1cccs1 ZINC000181540421 625172001 /nfs/dbraw/zinc/17/20/01/625172001.db2.gz XUHZKKBVHTWNJF-UHFFFAOYSA-N 0 1 253.367 2.991 20 30 CFEDMN C=C(Cl)CN[C@H]1CN(C(=O)CC(F)(F)F)CC1(C)C ZINC000995522055 625735877 /nfs/dbraw/zinc/73/58/77/625735877.db2.gz JTPUGWUJHVPFPU-VIFPVBQESA-N 0 1 298.736 2.518 20 30 CFEDMN C=C(Cl)CN[C@@H]1CN(C(=O)[C@H]2CC2(C)C)CC1(C)C ZINC000995682055 625786603 /nfs/dbraw/zinc/78/66/03/625786603.db2.gz UWDVNFAZGSAURT-VXGBXAGGSA-N 0 1 284.831 2.612 20 30 CFEDMN CC(C)C#CC(=O)Nc1cccc2c1OCC[C@@H]2N(C)C ZINC000834720166 625800616 /nfs/dbraw/zinc/80/06/16/625800616.db2.gz XJUGNVWQYPCHLI-HNNXBMFYSA-N 0 1 286.375 2.670 20 30 CFEDMN C=CCN1CC[C@@H](NC(=O)c2cccn2C2CCCC2)C1 ZINC001015905469 625843941 /nfs/dbraw/zinc/84/39/41/625843941.db2.gz QTRWXNIAAOJXIQ-CQSZACIVSA-N 0 1 287.407 2.593 20 30 CFEDMN C=C(Cl)CN[C@H]1CN(C(=O)[C@@]2(C)C=CCC2)CC1(C)C ZINC000996164705 625881063 /nfs/dbraw/zinc/88/10/63/625881063.db2.gz XJXPVCFMYMRIAF-BBRMVZONSA-N 0 1 296.842 2.922 20 30 CFEDMN C=C(Cl)CN[C@H]1CN(C(=O)[C@H](C)C(C)C)CC1(C)C ZINC000996366581 625898448 /nfs/dbraw/zinc/89/84/48/625898448.db2.gz AREROYLIDMQYMJ-OLZOCXBDSA-N 0 1 286.847 2.858 20 30 CFEDMN C=C(Cl)CN[C@@H]1CN(C(=O)[C@@H](C)C(C)C)CC1(C)C ZINC000996366582 625898840 /nfs/dbraw/zinc/89/88/40/625898840.db2.gz AREROYLIDMQYMJ-QWHCGFSZSA-N 0 1 286.847 2.858 20 30 CFEDMN C#CCOc1ccc(CN[C@@H](C)c2cc(C)nn2C)cc1 ZINC000834888324 625910835 /nfs/dbraw/zinc/91/08/35/625910835.db2.gz GELOTBAFEUNWTJ-AWEZNQCLSA-N 0 1 283.375 2.591 20 30 CFEDMN Fc1ccc2c(c1)OCC2=NNc1cccc(F)n1 ZINC000814930267 625921510 /nfs/dbraw/zinc/92/15/10/625921510.db2.gz VTGPLLUIVDUAGH-UHFFFAOYSA-N 0 1 261.231 2.568 20 30 CFEDMN CCn1ccnc1C(C)N=Nc1cc([N+](=O)[O-])ccc1C ZINC000834950165 625931136 /nfs/dbraw/zinc/93/11/36/625931136.db2.gz VDTWNTQKAKPUEL-UHFFFAOYSA-N 0 1 287.323 2.956 20 30 CFEDMN C[C@@H]1CN(C2CC2)CC1N=Nc1cc(C(F)(F)F)ccn1 ZINC000834983998 625945685 /nfs/dbraw/zinc/94/56/85/625945685.db2.gz KFXGZRQOPAMYDP-SECBINFHSA-N 0 1 298.312 2.982 20 30 CFEDMN CC1(C)OCC[C@@H]1NN=C1CCCNc2ccccc21 ZINC000835015509 625961528 /nfs/dbraw/zinc/96/15/28/625961528.db2.gz FDAJWDSEMXGQEQ-HNNXBMFYSA-N 0 1 273.380 2.754 20 30 CFEDMN CC(=NN[C@H]1CCOC1(C)C)c1ccc(F)cc1N(C)C ZINC000835018096 625964442 /nfs/dbraw/zinc/96/44/42/625964442.db2.gz VFGPALHKICDPOD-HNNXBMFYSA-N 0 1 293.386 2.773 20 30 CFEDMN C[C@H](NCc1c2c(nn1C)CCC2)c1ccc(C#N)cc1 ZINC000921516346 625965705 /nfs/dbraw/zinc/96/57/05/625965705.db2.gz NEXXBDYSRMMHQH-LBPRGKRZSA-N 0 1 280.375 2.631 20 30 CFEDMN C#CCOc1cccc(Cl)c1CN[C@@H]1CC12CC2 ZINC000818229664 625974730 /nfs/dbraw/zinc/97/47/30/625974730.db2.gz AAMIVTYTRJUEQY-CQSZACIVSA-N 0 1 261.752 2.994 20 30 CFEDMN C=C1CCC(C(=O)N[C@H](C)C2CCN(CCF)CC2)CC1 ZINC000997290548 625986818 /nfs/dbraw/zinc/98/68/18/625986818.db2.gz WZIDSMVRZDDHDC-CQSZACIVSA-N 0 1 296.430 2.919 20 30 CFEDMN C=CC[N@@H+]1CC[C@H](NC(=O)[C@@H](C)c2ccc(C)s2)C1 ZINC001015990091 625987419 /nfs/dbraw/zinc/98/74/19/625987419.db2.gz FZROTGVDJNUORQ-STQMWFEESA-N 0 1 278.421 2.537 20 30 CFEDMN C=CCN1CC[C@H](NC(=O)[C@@H](C)c2ccc(C)s2)C1 ZINC001015990091 625987421 /nfs/dbraw/zinc/98/74/21/625987421.db2.gz FZROTGVDJNUORQ-STQMWFEESA-N 0 1 278.421 2.537 20 30 CFEDMN C=C(Cl)CN[C@@H]1CCCN(C(=O)c2ccc(F)cc2)C1 ZINC000998375159 626047066 /nfs/dbraw/zinc/04/70/66/626047066.db2.gz FCIYOZGMFLFNHS-CQSZACIVSA-N 0 1 296.773 2.772 20 30 CFEDMN C=C(Cl)CN[C@H]1CCCN(C(=O)c2ccc(C)o2)C1 ZINC000998483991 626053015 /nfs/dbraw/zinc/05/30/15/626053015.db2.gz BVOMSNOHXVPWRP-LBPRGKRZSA-N 0 1 282.771 2.535 20 30 CFEDMN O=C(/C=C/c1ccc(F)nc1)c1ccc(O)cc1O ZINC000186418507 626060233 /nfs/dbraw/zinc/06/02/33/626060233.db2.gz VTUTUNATFSXVRD-ORCRQEGFSA-N 0 1 259.236 2.528 20 30 CFEDMN C=C(Cl)CN[C@@H]1CCCN(C(=O)c2oc(C)cc2C)C1 ZINC000998857304 626063094 /nfs/dbraw/zinc/06/30/94/626063094.db2.gz HAFNMVUXSVLCDP-CYBMUJFWSA-N 0 1 296.798 2.843 20 30 CFEDMN C=C(Cl)CN[C@@H]1CCCN(C(=O)[C@H](C)C2CCC2)C1 ZINC000999472857 626074681 /nfs/dbraw/zinc/07/46/81/626074681.db2.gz DUCDLAWNZLMKIX-TZMCWYRMSA-N 0 1 284.831 2.756 20 30 CFEDMN C=C(Cl)CN[C@@H]1CCCN(C(=O)C2(C)CCC2)C1 ZINC000999904837 626083402 /nfs/dbraw/zinc/08/34/02/626083402.db2.gz JWNBVMKHXSPVOS-GFCCVEGCSA-N 0 1 270.804 2.510 20 30 CFEDMN C=C(Cl)CN[C@H]1CCCN(C(=O)C2(C)CC(=C)C2)C1 ZINC001000129127 626089243 /nfs/dbraw/zinc/08/92/43/626089243.db2.gz SORDNBIXBOWGAD-ZDUSSCGKSA-N 0 1 282.815 2.676 20 30 CFEDMN C=C(Cl)CN[C@@H]1CCCN(C(=O)[C@@]23C[C@@H]2CCCC3)C1 ZINC001000127404 626089395 /nfs/dbraw/zinc/08/93/95/626089395.db2.gz GNMYBHQTABAXFA-LZWOXQAQSA-N 0 1 296.842 2.900 20 30 CFEDMN C=C(Cl)CN[C@@H]1CCCN(C(=O)[C@@H](C)C(C)(F)F)C1 ZINC001000228877 626097789 /nfs/dbraw/zinc/09/77/89/626097789.db2.gz VNOGDEIFWXOXDK-GHMZBOCLSA-N 0 1 294.773 2.611 20 30 CFEDMN CO[C@H](CNCc1c(C)cc(C#N)cc1C)C(F)(F)F ZINC000921738536 626101666 /nfs/dbraw/zinc/10/16/66/626101666.db2.gz RALRQURXINOGLE-CYBMUJFWSA-N 0 1 286.297 2.842 20 30 CFEDMN CCc1cc(CNCc2c(C)cc(C#N)cc2C)[nH]n1 ZINC000921745274 626104785 /nfs/dbraw/zinc/10/47/85/626104785.db2.gz ZVHHLGYEFGJGTB-UHFFFAOYSA-N 0 1 268.364 2.750 20 30 CFEDMN C[C@](CO)(NCc1csc(C#N)c1)c1ccccc1 ZINC000921746482 626105311 /nfs/dbraw/zinc/10/53/11/626105311.db2.gz IKCZMHUVENMGOD-OAHLLOKOSA-N 0 1 272.373 2.617 20 30 CFEDMN CCn1cc(CNCc2c(C)cc(C#N)cc2C)cn1 ZINC000921753217 626108594 /nfs/dbraw/zinc/10/85/94/626108594.db2.gz ZVIMMCRMKZFIIU-UHFFFAOYSA-N 0 1 268.364 2.681 20 30 CFEDMN C=C(Cl)CN[C@@H]1CCCN(C(=O)[C@H]2CC23CCCC3)C1 ZINC001000617522 626127647 /nfs/dbraw/zinc/12/76/47/626127647.db2.gz OEMFCGKNAYAJHQ-ZIAGYGMSSA-N 0 1 296.842 2.900 20 30 CFEDMN C=C(C)CN1CC[C@H](NC(=O)[C@@]2(C)CC=C(C)CC2)C1 ZINC001016308193 626178568 /nfs/dbraw/zinc/17/85/68/626178568.db2.gz CDICMDXQVIMMAZ-RDJZCZTQSA-N 0 1 276.424 2.890 20 30 CFEDMN C=CCN(Cc1cccs1)C[C@@H](O)c1ccccn1 ZINC000851711904 634483178 /nfs/dbraw/zinc/48/31/78/634483178.db2.gz IDTAEJZGBCDSIT-OAHLLOKOSA-N 0 1 274.389 2.865 20 30 CFEDMN CC#CCN1CCC(NC(=O)[C@H]2CCCC3(CC3)C2)CC1 ZINC001002807646 626194470 /nfs/dbraw/zinc/19/44/70/626194470.db2.gz UNGDKOKRYNWTEX-HNNXBMFYSA-N 0 1 288.435 2.561 20 30 CFEDMN N#CCC1(CNCc2nccc3c2CCCC3)CC1 ZINC000922085879 626205557 /nfs/dbraw/zinc/20/55/57/626205557.db2.gz WSQVMSFJALXDOA-UHFFFAOYSA-N 0 1 255.365 2.744 20 30 CFEDMN CC[C@@H](CNCc1ccc(C#N)o1)C(=O)OC(C)(C)C ZINC000922599298 626320077 /nfs/dbraw/zinc/32/00/77/626320077.db2.gz KNLXCYYMUVHRFO-NSHDSACASA-N 0 1 278.352 2.609 20 30 CFEDMN CC#CCN1CCC(N(C)C(=O)CC2CCCC2)CC1 ZINC001005060068 626407770 /nfs/dbraw/zinc/40/77/70/626407770.db2.gz DEFBKWHCQPGPMH-UHFFFAOYSA-N 0 1 276.424 2.513 20 30 CFEDMN CC#CCN1CCC(N(C)C(=O)[C@H]2CCCC23CC3)CC1 ZINC001005578810 626417766 /nfs/dbraw/zinc/41/77/66/626417766.db2.gz HFBYVQLGVQTZGQ-MRXNPFEDSA-N 0 1 288.435 2.513 20 30 CFEDMN C#CCN1CCC(N(C)C(=O)[C@@]2(C)CCC[C@@H]2CC)CC1 ZINC001005584928 626417911 /nfs/dbraw/zinc/41/79/11/626417911.db2.gz XPQCCOQGLWPYON-YJBOKZPZSA-N 0 1 290.451 2.759 20 30 CFEDMN CC#CCN1CCC(N(C)C(=O)[C@@H]2CCC[C@H](C)C2)CC1 ZINC001005904024 626448287 /nfs/dbraw/zinc/44/82/87/626448287.db2.gz AQKQHKSRAFWSGB-JKSUJKDBSA-N 0 1 290.451 2.759 20 30 CFEDMN C#CCCOC(=O)c1c[nH]c(=NC(=O)OC(C)(C)C)s1 ZINC000923132381 626452585 /nfs/dbraw/zinc/45/25/85/626452585.db2.gz SZZHJQZJBWFDHQ-UHFFFAOYSA-N 0 1 296.348 2.670 20 30 CFEDMN C#CCN1CCC(N(C)C(=O)CC2CCCCCC2)CC1 ZINC001006064928 626469137 /nfs/dbraw/zinc/46/91/37/626469137.db2.gz MFOKGYKUELGSED-UHFFFAOYSA-N 0 1 290.451 2.903 20 30 CFEDMN C=C(C)CN1CC[C@H](NC(=O)c2cc(C)c(F)cc2F)C1 ZINC001014889954 626480462 /nfs/dbraw/zinc/48/04/62/626480462.db2.gz QMINYHBODDQSDG-LBPRGKRZSA-N 0 1 294.345 2.653 20 30 CFEDMN CC/C(C)=C/C(=O)OCC(=O)[C@@H](C#N)c1nc(C)cs1 ZINC000838042340 626484444 /nfs/dbraw/zinc/48/44/44/626484444.db2.gz WPCWKWODINVXEJ-FZPLPXEFSA-N 0 1 292.360 2.527 20 30 CFEDMN CC/C(C)=C/C(=O)OCC(=O)C(C#N)c1nc(C)cs1 ZINC000838042340 626484445 /nfs/dbraw/zinc/48/44/45/626484445.db2.gz WPCWKWODINVXEJ-FZPLPXEFSA-N 0 1 292.360 2.527 20 30 CFEDMN C#Cc1cccc(N(C)C(=O)Cc2n[nH]c3ccccc32)c1 ZINC000103101955 626499206 /nfs/dbraw/zinc/49/92/06/626499206.db2.gz HAGGKFZZZXYJKH-UHFFFAOYSA-N 0 1 289.338 2.750 20 30 CFEDMN C=CCC[C@@H](C(=O)OCc1c[nH]nn1)c1ccccc1 ZINC000838897803 626514716 /nfs/dbraw/zinc/51/47/16/626514716.db2.gz NBPODNCHZDLTKV-CQSZACIVSA-N 0 1 271.320 2.598 20 30 CFEDMN CCO[C@@H]1C[C@@H](NCc2cc(C#N)ccc2F)[C@H]1SC ZINC000838966942 626517382 /nfs/dbraw/zinc/51/73/82/626517382.db2.gz JJFYPOUGRVTNSO-RBSFLKMASA-N 0 1 294.395 2.696 20 30 CFEDMN C=C(C)CN(Cc1cnn(C(C)C)c1)C[C@H](O)C1CC1 ZINC000839004576 626519848 /nfs/dbraw/zinc/51/98/48/626519848.db2.gz BQGWWNFTMYDJPS-INIZCTEOSA-N 0 1 277.412 2.613 20 30 CFEDMN N#C[C@@H]1CCC[C@@H](OC(=O)c2ccc(-c3nnc[nH]3)cc2)C1 ZINC000839049262 626521486 /nfs/dbraw/zinc/52/14/86/626521486.db2.gz FUQYENJXFPCKOP-BXUZGUMPSA-N 0 1 296.330 2.711 20 30 CFEDMN CC[C@H](C(=O)O[C@H]1CCC[C@H](C#N)C1)N(CC)CC ZINC000839051645 626521847 /nfs/dbraw/zinc/52/18/47/626521847.db2.gz LSDLNYWGLKNOOQ-MELADBBJSA-N 0 1 266.385 2.732 20 30 CFEDMN CC(C)(C)N1CC[C@](F)(C(=O)O[C@H]2CCC[C@H](C#N)C2)C1 ZINC000839062587 626522554 /nfs/dbraw/zinc/52/25/54/626522554.db2.gz MZTZENMOUIBLLE-HEHGZKQESA-N 0 1 296.386 2.824 20 30 CFEDMN c1ccc(CN2CCC(N=Nc3ccccn3)C2)cc1 ZINC000839392282 626535404 /nfs/dbraw/zinc/53/54/04/626535404.db2.gz HYAOWSWAGIFHEE-UHFFFAOYSA-N 0 1 266.348 2.755 20 30 CFEDMN C/C=C(\CC)C(=O)OCC(=O)[C@H](C#N)c1nc(C)cs1 ZINC000789226693 626539299 /nfs/dbraw/zinc/53/92/99/626539299.db2.gz ICCPQQHORDCGFT-INJWIWPUSA-N 0 1 292.360 2.527 20 30 CFEDMN C/C=C(\CC)C(=O)OCC(=O)C(C#N)c1nc(C)cs1 ZINC000789226693 626539300 /nfs/dbraw/zinc/53/93/00/626539300.db2.gz ICCPQQHORDCGFT-INJWIWPUSA-N 0 1 292.360 2.527 20 30 CFEDMN CC[C@@H](C)NN=Cc1cnc(N(CC)CC)s1 ZINC000790182538 626541505 /nfs/dbraw/zinc/54/15/05/626541505.db2.gz KIMLIOWELSEMHO-SNVBAGLBSA-N 0 1 254.403 2.711 20 30 CFEDMN Cc1cccnc1NN=Cc1ccc2c(c1)CCO2 ZINC000790191549 626549241 /nfs/dbraw/zinc/54/92/41/626549241.db2.gz WFCUTBHZUYHHKK-UHFFFAOYSA-N 0 1 253.305 2.771 20 30 CFEDMN Cc1n[nH]c(C)c1/C=C\C(=O)c1cc(F)ccc1O ZINC000757467697 626552899 /nfs/dbraw/zinc/55/28/99/626552899.db2.gz KKEJEPYXPJHPKR-XQRVVYSFSA-N 0 1 260.268 2.767 20 30 CFEDMN O=C(/C=C/c1ccccc1-n1cncn1)c1ccccc1O ZINC000757473584 626553208 /nfs/dbraw/zinc/55/32/08/626553208.db2.gz DCSJRWAIJSQSTJ-MDZDMXLPSA-N 0 1 291.310 2.869 20 30 CFEDMN COC(=O)c1occc1/C=C\C(=O)c1ccccc1O ZINC000757476652 626553359 /nfs/dbraw/zinc/55/33/59/626553359.db2.gz YCUMCERGEFVASZ-SREVYHEPSA-N 0 1 272.256 2.668 20 30 CFEDMN CCC[C@@H]1[C@@H](C)CCCN1Cn1ccc(C)c(C#N)c1=O ZINC000758232355 626584256 /nfs/dbraw/zinc/58/42/56/626584256.db2.gz QFNSTZADDNPSQI-GOEBONIOSA-N 0 1 287.407 2.887 20 30 CFEDMN C[C@@H]1[C@H](c2ccccc2)CCN1Cn1cccc(C#N)c1=O ZINC000758237127 626584794 /nfs/dbraw/zinc/58/47/94/626584794.db2.gz OLNSCRFGZJOLCP-RHSMWYFYSA-N 0 1 293.370 2.555 20 30 CFEDMN COC(C)(C)CN(C)Cn1ccc(-c2ccc(C#N)cc2)n1 ZINC000758411271 626592465 /nfs/dbraw/zinc/59/24/65/626592465.db2.gz FTKAHQRXUPSFTR-UHFFFAOYSA-N 0 1 298.390 2.736 20 30 CFEDMN COc1cc(Cl)cc(C=NNc2ccc(C)nn2)c1O ZINC000758873742 626614027 /nfs/dbraw/zinc/61/40/27/626614027.db2.gz KNSHMZRPFIAJRQ-UHFFFAOYSA-N 0 1 292.726 2.599 20 30 CFEDMN C[C@H]1CC(=NOCC(F)F)CN1Cc1ccccc1 ZINC000758912721 626617924 /nfs/dbraw/zinc/61/79/24/626617924.db2.gz XLAYALXPXRSHOO-NSHDSACASA-N 0 1 268.307 2.919 20 30 CFEDMN CCC(=NOCCOC)c1ccc(N(C)C)cc1 ZINC000759205773 626636570 /nfs/dbraw/zinc/63/65/70/626636570.db2.gz RIXFKJVNULCODB-UHFFFAOYSA-N 0 1 250.342 2.530 20 30 CFEDMN Cc1cc2c[nH]nc2c(C(=O)Nc2cc(C#N)ccc2O)c1 ZINC000759713200 626686649 /nfs/dbraw/zinc/68/66/49/626686649.db2.gz JYYLZOPMSNJUDK-UHFFFAOYSA-N 0 1 292.298 2.701 20 30 CFEDMN Cc1cc2cn[nH]c2c(C(=O)Nc2cc(C#N)ccc2O)c1 ZINC000759713200 626686650 /nfs/dbraw/zinc/68/66/50/626686650.db2.gz JYYLZOPMSNJUDK-UHFFFAOYSA-N 0 1 292.298 2.701 20 30 CFEDMN Cn1nc(C(C)(C)C)cc1C(=O)Nc1cc(C#N)ccc1O ZINC000759718384 626686822 /nfs/dbraw/zinc/68/68/22/626686822.db2.gz VARGIRZPSLZYDO-UHFFFAOYSA-N 0 1 298.346 2.547 20 30 CFEDMN COc1cccc(NC(=O)C(C#N)C(=O)[C@@H]2CC23CCC3)c1 ZINC000759833523 626694450 /nfs/dbraw/zinc/69/44/50/626694450.db2.gz IYFOMQJBHFCDNR-KGLIPLIRSA-N 0 1 298.342 2.533 20 30 CFEDMN CCCN(C)c1ccc(C(O)=C(C#N)c2ccncn2)cc1 ZINC000760334832 626735869 /nfs/dbraw/zinc/73/58/69/626735869.db2.gz RKPHPFQXPKBJHQ-OAHLLOKOSA-N 0 1 294.358 2.813 20 30 CFEDMN N#C[C@@H](C(=O)C1(Cc2ccccc2)CC1)c1ccncn1 ZINC000760334867 626735895 /nfs/dbraw/zinc/73/58/95/626735895.db2.gz RXUJSXKGYAEJCS-CQSZACIVSA-N 0 1 277.327 2.676 20 30 CFEDMN N#CC(C(=O)C=Cc1ccccc1F)c1ccncn1 ZINC000760356530 626739462 /nfs/dbraw/zinc/73/94/62/626739462.db2.gz HZVSUHCYZHKHRY-FJOGCWAESA-N 0 1 267.263 2.505 20 30 CFEDMN C#CCCCC(=O)Nc1nc(-c2ccc(Cl)cc2)n[nH]1 ZINC000760811576 626774212 /nfs/dbraw/zinc/77/42/12/626774212.db2.gz RQCHMFISFNKWFG-UHFFFAOYSA-N 0 1 288.738 2.867 20 30 CFEDMN CC(=NNc1nccn1C)c1cc(F)ccc1F ZINC000790302070 626793003 /nfs/dbraw/zinc/79/30/03/626793003.db2.gz MEWQKYUDOBPOIF-UHFFFAOYSA-N 0 1 250.252 2.534 20 30 CFEDMN Cc1ccc(N(CCC#N)C(=O)[C@H](C)N2CC[C@@H]3C[C@@H]32)cc1 ZINC000761089263 626800914 /nfs/dbraw/zinc/80/09/14/626800914.db2.gz ISEBLALBLKSKRQ-UXLLHSPISA-N 0 1 297.402 2.724 20 30 CFEDMN Cn1cnc2cc(/C=C/C(=O)c3ccc(O)cc3O)ccc21 ZINC000761205441 626815670 /nfs/dbraw/zinc/81/56/70/626815670.db2.gz NLDFSIVGESLUFH-XVNBXDOJSA-N 0 1 294.310 2.881 20 30 CFEDMN Cc1ccc([N-][NH+]=C2c3ccc(N(C)C)cc3NC2=O)cc1 ZINC000761724064 626855382 /nfs/dbraw/zinc/85/53/82/626855382.db2.gz OMQWVZNRVDRJQO-UHFFFAOYSA-N 0 1 294.358 2.829 20 30 CFEDMN C[Si](C)(C)CN1CCO[C@@H](c2cccc(C#N)c2)C1 ZINC000761761774 626857263 /nfs/dbraw/zinc/85/72/63/626857263.db2.gz PPVJLXRPAVNXBV-OAHLLOKOSA-N 0 1 274.440 2.809 20 30 CFEDMN C[C@H]1CC(N=Nc2ccc(Cl)c(C(=O)[O-])c2)C[N@H+]1C ZINC000761794608 626859273 /nfs/dbraw/zinc/85/92/73/626859273.db2.gz SAFUYVXUSAABJO-QMMMGPOBSA-N 0 1 281.743 2.530 20 30 CFEDMN C[C@@H]1CC(N=Nc2ccc3ccccc3n2)CN1C ZINC000761793931 626859352 /nfs/dbraw/zinc/85/93/52/626859352.db2.gz QQVUUMYPYIFSOW-LLVKDONJSA-N 0 1 254.337 2.727 20 30 CFEDMN CCOc1cccc(C(C)=NNc2cnn(C)c2)c1 ZINC000761866961 626867214 /nfs/dbraw/zinc/86/72/14/626867214.db2.gz TZQVXTYHULPARZ-UHFFFAOYSA-N 0 1 258.325 2.655 20 30 CFEDMN Cn1cc(NN=C(C[C@H]2CCOC2)c2ccccc2)cn1 ZINC000761868318 626867741 /nfs/dbraw/zinc/86/77/41/626867741.db2.gz ZOCXLDTVEPBRRL-CYBMUJFWSA-N 0 1 284.363 2.663 20 30 CFEDMN CC(=NNc1ccc(F)cn1)c1ccc(C#N)s1 ZINC000762449442 626916945 /nfs/dbraw/zinc/91/69/45/626916945.db2.gz MUWOLZUHXPZUQQ-UHFFFAOYSA-N 0 1 260.297 2.990 20 30 CFEDMN CCOc1cccc(CN=Nc2cnnc3ccccc23)n1 ZINC000763177219 626968697 /nfs/dbraw/zinc/96/86/97/626968697.db2.gz WEETXWRXSQFLMV-UHFFFAOYSA-N 0 1 293.330 2.870 20 30 CFEDMN C[C@H]1CC(NC(=O)c2cc(Cl)cc(Cl)c2)=NO1 ZINC000763261911 626974445 /nfs/dbraw/zinc/97/44/45/626974445.db2.gz VBOTYZDTYJZMQP-LURJTMIESA-N 0 1 273.119 2.846 20 30 CFEDMN C#CCC(CC#C)C(=O)Nc1cccc(Cl)c1O ZINC000764626321 627077307 /nfs/dbraw/zinc/07/73/07/627077307.db2.gz ZJGHYLBXWYKOTL-UHFFFAOYSA-N 0 1 261.708 2.647 20 30 CFEDMN Cc1cccc(CNN=Cc2cc(-c3cccnc3)[nH]n2)c1 ZINC000764714147 627087092 /nfs/dbraw/zinc/08/70/92/627087092.db2.gz FDXMRICCRSIJCO-UHFFFAOYSA-N 0 1 291.358 2.904 20 30 CFEDMN CC#CCCN1C[C@@H](C)N(C(=O)OC(C)(C)C)[C@H](C)C1 ZINC000764959254 627109336 /nfs/dbraw/zinc/10/93/36/627109336.db2.gz BUSRZSMTURDVOF-ZIAGYGMSSA-N 0 1 280.412 2.730 20 30 CFEDMN CC#CCCN1CCN(C(=O)OC(C)(C)C)[C@H](C)[C@H]1C ZINC000765003528 627112477 /nfs/dbraw/zinc/11/24/77/627112477.db2.gz PCEYHRMHWZZQGI-ZIAGYGMSSA-N 0 1 280.412 2.730 20 30 CFEDMN C[C@@H]1CC(=NC(=O)c2cc3cc(F)ccc3s2)NO1 ZINC000765374820 627133141 /nfs/dbraw/zinc/13/31/41/627133141.db2.gz ZXIZVNPBDNMMTQ-SSDOTTSWSA-N 0 1 278.308 2.893 20 30 CFEDMN C[C@H]1CC(NC(=O)c2ccccc2Oc2cccnc2)=NO1 ZINC000765377500 627133510 /nfs/dbraw/zinc/13/35/10/627133510.db2.gz TUEUMSOVKUAXCW-NSHDSACASA-N 0 1 297.314 2.726 20 30 CFEDMN C[C@@H]1CC(NC(=O)c2sccc2SC(F)F)=NO1 ZINC000765380337 627134049 /nfs/dbraw/zinc/13/40/49/627134049.db2.gz LWDRRSICBDSQRJ-RXMQYKEDSA-N 0 1 292.332 2.915 20 30 CFEDMN Cc1ccc(NC(=S)NN=C2CCN3CCC[C@@H]23)cc1 ZINC000765556783 627147131 /nfs/dbraw/zinc/14/71/31/627147131.db2.gz YHDAZXFWGRBOQN-AWEZNQCLSA-N 0 1 288.420 2.506 20 30 CFEDMN C#CCN1CCC[C@H]1COC(=O)c1ccc(Cl)c(F)c1 ZINC000765938183 627165211 /nfs/dbraw/zinc/16/52/11/627165211.db2.gz AJQSWLREUMTSSA-LBPRGKRZSA-N 0 1 295.741 2.734 20 30 CFEDMN C#CCCCN(Cc1nc2ccccc2c(=O)[nH]1)C(C)C ZINC000766912286 627226440 /nfs/dbraw/zinc/22/64/40/627226440.db2.gz BEAHIHLVSLQYSO-UHFFFAOYSA-N 0 1 283.375 2.959 20 30 CFEDMN C[C@@H]1CC(N=Nc2cnccn2)CN(Cc2ccccc2)C1 ZINC000767355639 627244597 /nfs/dbraw/zinc/24/45/97/627244597.db2.gz ILFNBFADFNCAJW-CQSZACIVSA-N 0 1 295.390 2.787 20 30 CFEDMN CC[NH+](CC)Cc1cc(C(C)=NOC)ccc1[O-] ZINC000767490103 627255107 /nfs/dbraw/zinc/25/51/07/627255107.db2.gz KKEUTWOYTXNBPA-UHFFFAOYSA-N 0 1 250.342 2.604 20 30 CFEDMN Cc1cc(CNCc2cccc3c2OCCO3)ccc1C#N ZINC000767691803 627275767 /nfs/dbraw/zinc/27/57/67/627275767.db2.gz VUNJEACELZORJP-UHFFFAOYSA-N 0 1 294.354 2.928 20 30 CFEDMN Fc1cc(F)c(C=NNc2cncc(Cl)n2)cc1F ZINC000767769649 627284254 /nfs/dbraw/zinc/28/42/54/627284254.db2.gz DCUSDJVIDQROCO-UHFFFAOYSA-N 0 1 286.644 2.993 20 30 CFEDMN COC(=O)c1ccc(C(C)=NNc2ccc(F)cn2)cc1 ZINC000767783416 627285023 /nfs/dbraw/zinc/28/50/23/627285023.db2.gz VLTVBWNYQFGCNL-UHFFFAOYSA-N 0 1 287.294 2.843 20 30 CFEDMN Cc1csc(CCC(=O)Nc2cc(C#N)ccc2O)n1 ZINC000768119111 627317541 /nfs/dbraw/zinc/31/75/41/627317541.db2.gz ABXPNGJLKVFOOA-UHFFFAOYSA-N 0 1 287.344 2.600 20 30 CFEDMN C#CCN(CC)Cc1c[nH]nc1-c1ccc(C)cc1 ZINC000769104417 627402902 /nfs/dbraw/zinc/40/29/02/627402902.db2.gz GSOCUDDXKUHYIO-UHFFFAOYSA-N 0 1 253.349 2.840 20 30 CFEDMN N#CC1CCN(Cc2cncc3ccccc32)CC1 ZINC000769192085 627411180 /nfs/dbraw/zinc/41/11/80/627411180.db2.gz CQYDCJAVQPFTDZ-UHFFFAOYSA-N 0 1 251.333 2.970 20 30 CFEDMN Cc1cc(NN=Cc2cn(C)nc2C(C)(C)C)nc(C)n1 ZINC000769571047 627457339 /nfs/dbraw/zinc/45/73/39/627457339.db2.gz XOBROUXKAUSQJV-UHFFFAOYSA-N 0 1 286.383 2.570 20 30 CFEDMN CCSc1cccc(C=NNc2ncnc3[nH]cnc32)c1 ZINC000769779373 627473118 /nfs/dbraw/zinc/47/31/18/627473118.db2.gz DOQBIGKZEUKCAY-UHFFFAOYSA-N 0 1 298.375 2.911 20 30 CFEDMN FC(F)(F)CCN1CCC(=NNCC(F)(F)F)CC1 ZINC000769809359 627476734 /nfs/dbraw/zinc/47/67/34/627476734.db2.gz BLGHTRCDVSQTBO-UHFFFAOYSA-N 0 1 291.239 2.543 20 30 CFEDMN Fc1cccc(Cl)c1N=NC1CN2CCC1CC2 ZINC000769827100 627479525 /nfs/dbraw/zinc/47/95/25/627479525.db2.gz NQWGDUPFOZXOOZ-UHFFFAOYSA-N 0 1 267.735 2.973 20 30 CFEDMN N#Cc1ccc(O)c(NC(=O)c2ccc3nsnc3c2)c1 ZINC000770554923 627529236 /nfs/dbraw/zinc/52/92/36/627529236.db2.gz QJZFQPGCTTZSRH-UHFFFAOYSA-N 0 1 296.311 2.521 20 30 CFEDMN N#Cc1ccc(O)c(NC(=O)CCCC(F)(F)F)c1 ZINC000770862351 627552211 /nfs/dbraw/zinc/55/22/11/627552211.db2.gz NLHMNQYQWHNEAE-UHFFFAOYSA-N 0 1 272.226 2.935 20 30 CFEDMN Cn1c2ccccc2nc1NN=Cc1cccc2nccn21 ZINC000771097079 627577196 /nfs/dbraw/zinc/57/71/96/627577196.db2.gz IRIWXWWJTOKPLN-UHFFFAOYSA-N 0 1 290.330 2.667 20 30 CFEDMN CCN(CC)c1ccc(C=NNC[C@@H](C)C#N)cc1F ZINC000771103460 627577730 /nfs/dbraw/zinc/57/77/30/627577730.db2.gz MMZCCMHCMIMZSH-LBPRGKRZSA-N 0 1 276.359 2.755 20 30 CFEDMN C#CCN1CCC(C(=O)OCC2CCCCCC2)CC1 ZINC000772109991 627673927 /nfs/dbraw/zinc/67/39/27/627673927.db2.gz MKNZIXPUEJGBFN-UHFFFAOYSA-N 0 1 277.408 2.845 20 30 CFEDMN C#C[C@@H](C)OC(=O)c1[nH]c(-c2cccc(C)c2)nc1C ZINC000772671838 627734028 /nfs/dbraw/zinc/73/40/28/627734028.db2.gz WIEVOMVOXHXIMW-LLVKDONJSA-N 0 1 268.316 2.872 20 30 CFEDMN C[C@H](O)c1ncc(C=NNc2ncccc2Cl)s1 ZINC000773056340 627775439 /nfs/dbraw/zinc/77/54/39/627775439.db2.gz VSVXQRZPNAUONM-ZETCQYMHSA-N 0 1 282.756 2.691 20 30 CFEDMN CC(C)c1nccnc1NN=Cc1ccc(F)nc1 ZINC000773085221 627781474 /nfs/dbraw/zinc/78/14/74/627781474.db2.gz GGSYOQWWMRPQDW-UHFFFAOYSA-N 0 1 259.288 2.580 20 30 CFEDMN C=C(C)[C@H](NC[C@H]1CCC(=O)O1)c1ccc(F)c(F)c1 ZINC000851947319 634604517 /nfs/dbraw/zinc/60/45/17/634604517.db2.gz YYFBQFPKQOIKCZ-ABAIWWIYSA-N 0 1 281.302 2.877 20 30 CFEDMN C#CCN1CCC[C@H]1COC(=O)/C(C)=C\C(C)(C)C ZINC000774063182 627883499 /nfs/dbraw/zinc/88/34/99/627883499.db2.gz RQSQOSPZPXJLDV-FZDNWWAKSA-N 0 1 263.381 2.620 20 30 CFEDMN Cc1cccc2nc([C@@H](C#N)C(=O)Cc3ccoc3)[nH]c21 ZINC000774106138 627888178 /nfs/dbraw/zinc/88/81/78/627888178.db2.gz VRUFTVYOWTZDQC-LBPRGKRZSA-N 0 1 279.299 2.883 20 30 CFEDMN CCC(CC)CNN=Cc1ccc(N2CCOCC2)s1 ZINC000774473774 627930737 /nfs/dbraw/zinc/93/07/37/627930737.db2.gz LCTYXPUXFNMUFE-UHFFFAOYSA-N 0 1 295.452 2.944 20 30 CFEDMN C#C[C@H](C)[N@H+](C)Cc1cc(Br)ccc1[O-] ZINC000775184034 627999121 /nfs/dbraw/zinc/99/91/21/627999121.db2.gz SQJFSTBCQZCUQB-VIFPVBQESA-N 0 1 268.154 2.608 20 30 CFEDMN C#C[C@H](C)[N@@H+](C)Cc1cc(Br)ccc1[O-] ZINC000775184034 627999122 /nfs/dbraw/zinc/99/91/22/627999122.db2.gz SQJFSTBCQZCUQB-VIFPVBQESA-N 0 1 268.154 2.608 20 30 CFEDMN Oc1cccc(C=Nc2nc3ccc(F)cc3[nH]2)c1O ZINC000775236087 628001692 /nfs/dbraw/zinc/00/16/92/628001692.db2.gz YAUHAJYIASVDGH-UHFFFAOYSA-N 0 1 271.251 2.864 20 30 CFEDMN C#C[C@H](NCc1cccc(CCC)c1)[C@@H]1CCCO1 ZINC000775344990 628013206 /nfs/dbraw/zinc/01/32/06/628013206.db2.gz LEEDRRCJDLMGDI-IRXDYDNUSA-N 0 1 257.377 2.910 20 30 CFEDMN C#C[C@@H](NCc1ccc(SC)cc1)[C@H]1CCCO1 ZINC000775346542 628014497 /nfs/dbraw/zinc/01/44/97/628014497.db2.gz CGNABXVCGNYPKY-HUUCEWRRSA-N 0 1 261.390 2.679 20 30 CFEDMN C#C[C@H](NC/C=C\c1ccc(F)cc1F)[C@H]1CCCO1 ZINC000775352675 628014898 /nfs/dbraw/zinc/01/48/98/628014898.db2.gz YNIULSWWUUFZQH-ZQUHVBMZSA-N 0 1 277.314 2.748 20 30 CFEDMN C#CC[C@@H](NCC(=O)N[C@@H](C)C(C)C)c1ccccc1 ZINC000775398331 628020089 /nfs/dbraw/zinc/02/00/89/628020089.db2.gz GNIGHKSWVYJMTA-GOEBONIOSA-N 0 1 272.392 2.501 20 30 CFEDMN C#C[C@H](N[C@H](C)c1ccc(OC)c(OC)c1)[C@@H]1CCCO1 ZINC000775571168 628039697 /nfs/dbraw/zinc/03/96/97/628039697.db2.gz BIILHHKFRRLJEO-SNPRPXQTSA-N 0 1 289.375 2.535 20 30 CFEDMN C#C[C@H](N[C@H]1CCCc2nc(CC)sc21)[C@@H]1CCCO1 ZINC000775572011 628040291 /nfs/dbraw/zinc/04/02/91/628040291.db2.gz NUYDVMZCBXIVIQ-OBJOEFQTSA-N 0 1 290.432 2.853 20 30 CFEDMN CN(Cc1ccc(C(C)(C)C#N)cc1)[C@H]1CCCCNC1=O ZINC000775593235 628044094 /nfs/dbraw/zinc/04/40/94/628044094.db2.gz BNWHISMGEINOQE-INIZCTEOSA-N 0 1 299.418 2.588 20 30 CFEDMN N#CCN(Cc1cc(Cl)cc(F)c1O)C1CC1 ZINC000775660709 628051458 /nfs/dbraw/zinc/05/14/58/628051458.db2.gz ITVOCCUDVHUNFM-UHFFFAOYSA-N 0 1 254.692 2.673 20 30 CFEDMN N#C[C@@H](OC(=O)[C@@H]1CCCc2[nH]ncc21)C1CCCCC1 ZINC000776395812 628142465 /nfs/dbraw/zinc/14/24/65/628142465.db2.gz BOSGDOXKJGKGHR-IUODEOHRSA-N 0 1 287.363 2.845 20 30 CFEDMN Cc1cc(C#N)ccc1CN1CCCC[C@@H]1C1OCCO1 ZINC000776786980 628178335 /nfs/dbraw/zinc/17/83/35/628178335.db2.gz GRIUZBRJBFIXNZ-MRXNPFEDSA-N 0 1 286.375 2.594 20 30 CFEDMN C#C[C@H](NCc1cc(F)cc(Cl)c1)[C@@H]1CCCO1 ZINC000776800518 628178912 /nfs/dbraw/zinc/17/89/12/628178912.db2.gz OKXYOHBTTMIUTR-KBPBESRZSA-N 0 1 267.731 2.750 20 30 CFEDMN C[C@@H]1CC(=NC(=O)c2cc3ccc(F)cc3s2)NO1 ZINC000777437237 628225150 /nfs/dbraw/zinc/22/51/50/628225150.db2.gz WNMGXMBBAHJWND-SSDOTTSWSA-N 0 1 278.308 2.893 20 30 CFEDMN C#CCN(Cc1cnn(Cc2ccccc2)c1)C(C)C ZINC000778242278 628291106 /nfs/dbraw/zinc/29/11/06/628291106.db2.gz CQUNEOTXGIOPMK-UHFFFAOYSA-N 0 1 267.376 2.775 20 30 CFEDMN CC(C)[C@H]1CN(CCCOc2ccc(C#N)cc2)CCO1 ZINC000778243062 628292211 /nfs/dbraw/zinc/29/22/11/628292211.db2.gz RBJCYGCOHXCBRJ-QGZVFWFLSA-N 0 1 288.391 2.684 20 30 CFEDMN CC(C)(C(=O)OCc1ccc(F)c(C#N)c1)N1CCCC1 ZINC000805609248 628310371 /nfs/dbraw/zinc/31/03/71/628310371.db2.gz NJHGYKNTXUYXGQ-UHFFFAOYSA-N 0 1 290.338 2.615 20 30 CFEDMN CCC(=NNC1=N[C@@H]2CCCC[C@H]2N1)c1ccccc1F ZINC000778543992 628313737 /nfs/dbraw/zinc/31/37/37/628313737.db2.gz HACVBQYGVWFISD-HUUCEWRRSA-N 0 1 288.370 2.800 20 30 CFEDMN C#CC[C@H](OC(=O)[C@H](CC)N(CC)CC)c1ccccn1 ZINC000778631455 628321142 /nfs/dbraw/zinc/32/11/42/628321142.db2.gz HAIMHNOFIDWYAT-HOTGVXAUSA-N 0 1 288.391 2.810 20 30 CFEDMN C#CCOc1cccc(Cl)c1CN1C[C@H](O)[C@H](CC)C1 ZINC000779168233 628357954 /nfs/dbraw/zinc/35/79/54/628357954.db2.gz MRRJTPBLSPDCAO-DOMZBBRYSA-N 0 1 293.794 2.555 20 30 CFEDMN Cc1cc(C(=O)Nc2cc(C#N)ccc2O)ccc1O ZINC000779381975 628377741 /nfs/dbraw/zinc/37/77/41/628377741.db2.gz VEHZFLWALUAOLT-UHFFFAOYSA-N 0 1 268.272 2.530 20 30 CFEDMN Cc1cc(C=NNC2=N[C@@H]3CCCC[C@@H]3N2)ccc1Cl ZINC000779784785 628403809 /nfs/dbraw/zinc/40/38/09/628403809.db2.gz RXNUVIGJLIUDNV-OKILXGFUSA-N 0 1 290.798 2.842 20 30 CFEDMN C#C[C@](C)(CC)N[C@H](C)C(=O)Nc1cc(F)ccc1F ZINC000852099010 634653111 /nfs/dbraw/zinc/65/31/11/634653111.db2.gz BDZFOXWNDRXSDZ-MEBBXXQBSA-N 0 1 280.318 2.683 20 30 CFEDMN CC(=NNC1=NC[C@@H](C)N1)c1ccc(CC(C)C)cc1 ZINC000779792765 628406605 /nfs/dbraw/zinc/40/66/05/628406605.db2.gz UFOCDIDDWRVLOV-GFCCVEGCSA-N 0 1 272.396 2.546 20 30 CFEDMN CC(=NNC1=NC[C@@H](C)N1)c1ccc2ccccc2c1 ZINC000779805535 628408327 /nfs/dbraw/zinc/40/83/27/628408327.db2.gz NRRDVNKEORTCED-LLVKDONJSA-N 0 1 266.348 2.501 20 30 CFEDMN COc1cccc(NN=Cc2cccc(OC)c2OC)n1 ZINC000779817006 628410395 /nfs/dbraw/zinc/41/03/95/628410395.db2.gz MMUNLIRVMOPFKZ-UHFFFAOYSA-N 0 1 287.319 2.553 20 30 CFEDMN COc1cccc(NN=Cc2cc(F)ccc2C)n1 ZINC000779818978 628410764 /nfs/dbraw/zinc/41/07/64/628410764.db2.gz DZANSPJCWQTKTC-UHFFFAOYSA-N 0 1 259.284 2.984 20 30 CFEDMN COc1cccc(N=NCc2cnc(Cl)c(C)c2)n1 ZINC000779817768 628410771 /nfs/dbraw/zinc/41/07/71/628410771.db2.gz NHICOHNXHRCAHJ-UHFFFAOYSA-N 0 1 276.727 2.893 20 30 CFEDMN COc1cccc(NN=Cc2ccn(-c3ccccc3)n2)n1 ZINC000779819425 628411342 /nfs/dbraw/zinc/41/13/42/628411342.db2.gz QAGNZHMJDDGDSF-UHFFFAOYSA-N 0 1 293.330 2.722 20 30 CFEDMN COc1ccc(NN=C(C)c2ccc(C)cc2O)nc1 ZINC000780266752 628448103 /nfs/dbraw/zinc/44/81/03/628448103.db2.gz AWXSLDDPFHAMEV-UHFFFAOYSA-N 0 1 271.320 2.940 20 30 CFEDMN COc1ccc(NN=C(C)c2cc(O)ccc2OC)nc1 ZINC000780267680 628448217 /nfs/dbraw/zinc/44/82/17/628448217.db2.gz NSPUIWZSMYGPIC-UHFFFAOYSA-N 0 1 287.319 2.641 20 30 CFEDMN COc1ccc(N=NCc2ccn(-c3ccccc3)n2)nc1 ZINC000780270209 628448595 /nfs/dbraw/zinc/44/85/95/628448595.db2.gz DVHMORFCEPNOMH-UHFFFAOYSA-N 0 1 293.330 2.722 20 30 CFEDMN COc1ccc(NN=C(C)c2ccc3c(c2)OCO3)nc1 ZINC000780269050 628448600 /nfs/dbraw/zinc/44/86/00/628448600.db2.gz PELWJPAFSNXEGD-UHFFFAOYSA-N 0 1 285.303 2.655 20 30 CFEDMN COc1ccc(NN=Cc2cc(F)c(O)c(F)c2)nc1 ZINC000780270710 628448689 /nfs/dbraw/zinc/44/86/89/628448689.db2.gz LBGBBNPGYOZQDP-UHFFFAOYSA-N 0 1 279.246 2.520 20 30 CFEDMN Cc1cc(F)ccc1[C@@H](O)CN1CCC(C)(C#N)CC1 ZINC000780336483 628456516 /nfs/dbraw/zinc/45/65/16/628456516.db2.gz KKKKNBCRDQVYRV-HNNXBMFYSA-N 0 1 276.355 2.793 20 30 CFEDMN N#Cc1ccc(CNCc2c(O)cccc2Cl)nc1 ZINC000780557080 628476633 /nfs/dbraw/zinc/47/66/33/628476633.db2.gz TVKXTANIXJNYKK-UHFFFAOYSA-N 0 1 273.723 2.602 20 30 CFEDMN C#C[C@](C)(CC)NCc1cc(=O)[nH]c(-c2ccccc2)n1 ZINC000852103508 634658754 /nfs/dbraw/zinc/65/87/54/634658754.db2.gz JRLSWSJNDYADDR-QGZVFWFLSA-N 0 1 281.359 2.741 20 30 CFEDMN C#CCCCCCC(=O)Nc1nc(-c2ccc(C)o2)n[nH]1 ZINC000780644791 628484637 /nfs/dbraw/zinc/48/46/37/628484637.db2.gz WBQRDFRTKIRROY-UHFFFAOYSA-N 0 1 286.335 2.895 20 30 CFEDMN C=CCCCN(C)CN1C[C@@H](Cc2ccccc2)OC1=O ZINC000781143405 628525898 /nfs/dbraw/zinc/52/58/98/628525898.db2.gz IMROYIYSFGUACQ-MRXNPFEDSA-N 0 1 288.391 2.905 20 30 CFEDMN C[C@@H](NC[C@H](O)c1ccco1)c1ccc(C#N)cc1F ZINC000781422397 628547419 /nfs/dbraw/zinc/54/74/19/628547419.db2.gz XRSZEQWNXWXSJT-YGRLFVJLSA-N 0 1 274.295 2.675 20 30 CFEDMN C[C@]1(C(=O)C(C#N)c2nc3ccccc3o2)CCCOC1 ZINC000781448727 628549012 /nfs/dbraw/zinc/54/90/12/628549012.db2.gz PKTWJQCGGGUPJR-ZBEGNZNMSA-N 0 1 284.315 2.821 20 30 CFEDMN COC(=O)c1ccc(N=NCc2ccn(C)c2)cc1Cl ZINC000782240001 628618462 /nfs/dbraw/zinc/61/84/62/628618462.db2.gz GOYOIRRPRQJBPN-UHFFFAOYSA-N 0 1 291.738 2.911 20 30 CFEDMN Clc1csc(C=NNC2=N[C@@H]3CCCC[C@H]3N2)c1 ZINC000782253316 628619658 /nfs/dbraw/zinc/61/96/58/628619658.db2.gz DXNOYWQWMGPQPF-GHMZBOCLSA-N 0 1 282.800 2.595 20 30 CFEDMN Nc1nc(Cl)cc(NN=Cc2cc(Cl)cs2)n1 ZINC000782268230 628621566 /nfs/dbraw/zinc/62/15/66/628621566.db2.gz NYEOQQOBNMMLIJ-UHFFFAOYSA-N 0 1 288.163 2.873 20 30 CFEDMN CC1(C)CCC[C@H]1NN=Cc1cc(O)ccc1[N+](=O)[O-] ZINC000782287119 628624261 /nfs/dbraw/zinc/62/42/61/628624261.db2.gz JXVUDZCADYCCPV-CYBMUJFWSA-N 0 1 277.324 2.803 20 30 CFEDMN C(=NNCCN1CCCCC1)c1cccc2cnccc12 ZINC000782901967 628661880 /nfs/dbraw/zinc/66/18/80/628661880.db2.gz SXRYOSOTVISUEA-UHFFFAOYSA-N 0 1 282.391 2.644 20 30 CFEDMN CC(=NNCCOC(C)C)c1ccc(N)cc1Cl ZINC000782908748 628663575 /nfs/dbraw/zinc/66/35/75/628663575.db2.gz VDZUOGOJACDFRU-UHFFFAOYSA-N 0 1 269.776 2.661 20 30 CFEDMN C#CCOc1ccc([C@H](C)NCc2ccc(C#N)cn2)cc1 ZINC000783293394 628697571 /nfs/dbraw/zinc/69/75/71/628697571.db2.gz GOOFTQLRCJRWAS-AWEZNQCLSA-N 0 1 291.354 2.816 20 30 CFEDMN C#CCN1CCC[C@H]1COC(=O)CCCc1ccsc1 ZINC000783374374 628702097 /nfs/dbraw/zinc/70/20/97/628702097.db2.gz MYBDWIAPUJXAAS-HNNXBMFYSA-N 0 1 291.416 2.712 20 30 CFEDMN CN(C)c1nccc(N=NCc2ccc(Cl)cc2F)n1 ZINC000783517351 628715897 /nfs/dbraw/zinc/71/58/97/628715897.db2.gz YWXRVYBVWDCGBM-UHFFFAOYSA-N 0 1 293.733 2.781 20 30 CFEDMN C#CCN1CCC(C(=O)O[C@@H]2CCc3ccccc32)CC1 ZINC000783653515 628730894 /nfs/dbraw/zinc/73/08/94/628730894.db2.gz CMWVZLVKRZBZPG-QGZVFWFLSA-N 0 1 283.371 2.562 20 30 CFEDMN C[C@H](C#N)Oc1ccc(CN2C[C@H](C)O[C@@H](C)[C@H]2C)cc1 ZINC000783738931 628740364 /nfs/dbraw/zinc/74/03/64/628740364.db2.gz ZKTQYRQFPYNMFV-BARDWOONSA-N 0 1 288.391 2.975 20 30 CFEDMN Cc1cc(C)n(-c2nncn2N=C[C@H]2CCCC[C@@H]2C)n1 ZINC000783809501 628747157 /nfs/dbraw/zinc/74/71/57/628747157.db2.gz FQWKZWIGSWRNDY-SMDDNHRTSA-N 0 1 286.383 2.741 20 30 CFEDMN Cc1nn(-c2ccncc2)cc1C=NOCC(C)C ZINC000783856681 628749993 /nfs/dbraw/zinc/74/99/93/628749993.db2.gz ISLZFCWGRAFJRL-UHFFFAOYSA-N 0 1 258.325 2.582 20 30 CFEDMN CCc1ccc(NC(=O)C(C#N)C(=O)[C@@H](F)C(C)C)cc1 ZINC000784490259 628821149 /nfs/dbraw/zinc/82/11/49/628821149.db2.gz DSMVOHKBECLISY-KGLIPLIRSA-N 0 1 290.338 2.890 20 30 CFEDMN C#CCOc1cccc(NC(=O)c2ccc(C#N)c(O)c2)c1 ZINC000785416290 628880841 /nfs/dbraw/zinc/88/08/41/628880841.db2.gz XUDFHRUKUSOKPB-UHFFFAOYSA-N 0 1 292.294 2.528 20 30 CFEDMN CC(C)(C#N)CCOC(=O)c1cccc2[nH]ncc21 ZINC000785588546 628896466 /nfs/dbraw/zinc/89/64/66/628896466.db2.gz VBXDGNIJTAFNKC-UHFFFAOYSA-N 0 1 257.293 2.660 20 30 CFEDMN COc1cc(C=NNC2CCCCC2)cc([N+](=O)[O-])c1O ZINC000786042843 628932603 /nfs/dbraw/zinc/93/26/03/628932603.db2.gz BAVKTMSNOAIVPM-UHFFFAOYSA-N 0 1 293.323 2.565 20 30 CFEDMN C=CCCN(C)CN1C[C@H](c2ccccc2F)CC1=O ZINC000786102365 628937064 /nfs/dbraw/zinc/93/70/64/628937064.db2.gz WJBQXVLDDHPBQT-CYBMUJFWSA-N 0 1 276.355 2.607 20 30 CFEDMN CCCC(C)(C)CC(=O)[C@@H](C#N)C(=O)NC1CCCC1 ZINC000786323059 628948156 /nfs/dbraw/zinc/94/81/56/628948156.db2.gz NDWJKEVVUWPJNY-CYBMUJFWSA-N 0 1 278.396 2.970 20 30 CFEDMN CC(C)CC(=O)C(C#N)C(=O)NCc1cccc(Cl)c1 ZINC000786547449 628967829 /nfs/dbraw/zinc/96/78/29/628967829.db2.gz RZDDJQVXBZXRKV-ZDUSSCGKSA-N 0 1 292.766 2.711 20 30 CFEDMN Cc1cccc(CNC(=O)C(C#N)C(=O)[C@@H]2CC[C@H](C)C2)c1 ZINC000786553086 628968346 /nfs/dbraw/zinc/96/83/46/628968346.db2.gz RZOKMVVBZAXEIO-NUEKZKHPSA-N 0 1 298.386 2.756 20 30 CFEDMN C#C[C@H](N[C@H](C)c1cnn(C(C)C)c1C)[C@@H]1CCCO1 ZINC000786935571 628985503 /nfs/dbraw/zinc/98/55/03/628985503.db2.gz MRMHQRJRVZGBTJ-KCXAZCMYSA-N 0 1 275.396 2.604 20 30 CFEDMN C=C(C)CN(CC)Cc1cc(Br)nn1C ZINC000787047750 628990237 /nfs/dbraw/zinc/99/02/37/628990237.db2.gz DINVXWSZEQPDIX-UHFFFAOYSA-N 0 1 272.190 2.581 20 30 CFEDMN CC(=O)C(C#N)C(=O)N[C@H](C)c1ccc(Cl)cc1Cl ZINC000787051902 628990460 /nfs/dbraw/zinc/99/04/60/628990460.db2.gz VQXCQSCWJQLONB-HQJQHLMTSA-N 0 1 299.157 2.899 20 30 CFEDMN C=CCCN(C)CN1C[C@H](CC(C)(C)C)CC1=O ZINC000787236307 629000956 /nfs/dbraw/zinc/00/09/56/629000956.db2.gz QTDAKNSSDZGSCS-ZDUSSCGKSA-N 0 1 252.402 2.737 20 30 CFEDMN CCC#C[C@H](C)N1CCC[C@@H](NC(=O)OC(C)(C)C)C1 ZINC000787354103 629008855 /nfs/dbraw/zinc/00/88/55/629008855.db2.gz CTNBJJOZKYUIPS-UONOGXRCSA-N 0 1 280.412 2.777 20 30 CFEDMN COc1cc([C@@H](C)NCc2ccc(OC)c(C#N)c2)ccn1 ZINC000805833882 629009598 /nfs/dbraw/zinc/00/95/98/629009598.db2.gz JFMXLCYZFDJXGO-GFCCVEGCSA-N 0 1 297.358 2.821 20 30 CFEDMN C#CCN(Cc1ccc(F)cc1)C[C@H](O)C(C)(C)C ZINC000787710547 629028206 /nfs/dbraw/zinc/02/82/06/629028206.db2.gz LVBLGIHOSHHIRR-HNNXBMFYSA-N 0 1 263.356 2.668 20 30 CFEDMN CC(=NNCCc1ccncc1)c1ccc(N)cc1C ZINC000789097378 629126158 /nfs/dbraw/zinc/12/61/58/629126158.db2.gz OZEFBWPPHCFPED-UHFFFAOYSA-N 0 1 268.364 2.529 20 30 CFEDMN CN(CCC(C)(C)C#N)[C@H]1CCN(Cc2ccccc2)C1=O ZINC000789527644 629163658 /nfs/dbraw/zinc/16/36/58/629163658.db2.gz CTJXKHBJCGEULQ-INIZCTEOSA-N 0 1 299.418 2.659 20 30 CFEDMN CC(C)(C)n1cc(CN=Nc2cc(F)c(F)cc2F)nn1 ZINC000790164698 629215441 /nfs/dbraw/zinc/21/54/41/629215441.db2.gz VKYWGWMOSQORCH-UHFFFAOYSA-N 0 1 297.284 2.896 20 30 CFEDMN CC(N=Nc1ccc(C#N)c(Cl)c1)c1ccc(=O)[nH]n1 ZINC000790172970 629215783 /nfs/dbraw/zinc/21/57/83/629215783.db2.gz BREPXJGIQYYMOT-UHFFFAOYSA-N 0 1 287.710 2.543 20 30 CFEDMN Cc1cccnc1NN=C1C(=O)Nc2cccc(Cl)c21 ZINC000790186985 629217672 /nfs/dbraw/zinc/21/76/72/629217672.db2.gz RRPNIWGIEOCUON-UHFFFAOYSA-N 0 1 286.722 2.812 20 30 CFEDMN Cc1cccnc1N=NCc1cnc2cccc(C)n12 ZINC000790193756 629218798 /nfs/dbraw/zinc/21/87/98/629218798.db2.gz LLUDTESOTFVZJG-UHFFFAOYSA-N 0 1 265.320 2.792 20 30 CFEDMN C=CCN(C(C)C)[C@@H]1CCN(c2ccccc2OC)C1=O ZINC000790267292 629223907 /nfs/dbraw/zinc/22/39/07/629223907.db2.gz UMUGETNTEYNLRD-OAHLLOKOSA-N 0 1 288.391 2.697 20 30 CFEDMN C=CCN(C(C)C)[C@H]1CCCN(c2ccc(C#N)cc2)C1=O ZINC000790267288 629223990 /nfs/dbraw/zinc/22/39/90/629223990.db2.gz UFRJLBDSQQTFPB-KRWDZBQOSA-N 0 1 297.402 2.950 20 30 CFEDMN Cn1ccnc1NN=C1CCCc2cc(F)ccc21 ZINC000790299596 629226721 /nfs/dbraw/zinc/22/67/21/629226721.db2.gz FWXVYZWOJUMIGF-UHFFFAOYSA-N 0 1 258.300 2.712 20 30 CFEDMN COc1cc(C(C)=NNc2nccn2C)ccc1SC ZINC000790301589 629228502 /nfs/dbraw/zinc/22/85/02/629228502.db2.gz FIFMEFAOHVQJBO-UHFFFAOYSA-N 0 1 290.392 2.987 20 30 CFEDMN Cc1cc(C=NNc2cccc(F)c2[N+](=O)[O-])sn1 ZINC000790307188 629229555 /nfs/dbraw/zinc/22/95/55/629229555.db2.gz UEQNVZSUKYIFKY-UHFFFAOYSA-N 0 1 280.284 2.945 20 30 CFEDMN Cn1ccnc1NN=Cc1ccc(C(F)(F)F)s1 ZINC000790305962 629229574 /nfs/dbraw/zinc/22/95/74/629229574.db2.gz RGKHLNHENYEWSN-UHFFFAOYSA-N 0 1 274.271 2.946 20 30 CFEDMN C=CC[C@H](NCc1cccc(OC)n1)c1ccncc1 ZINC000790964701 629274569 /nfs/dbraw/zinc/27/45/69/629274569.db2.gz GDTAQZPNKPCZIL-HNNXBMFYSA-N 0 1 269.348 2.892 20 30 CFEDMN C[C@@H](C(=O)OCC#Cc1ccccc1)N1[C@H](C)CC[C@@H]1C ZINC000791391780 629307718 /nfs/dbraw/zinc/30/77/18/629307718.db2.gz OVBOJTCMPYBHIG-XHSDSOJGSA-N 0 1 285.387 2.843 20 30 CFEDMN C#C[C@H](CCC)NC(=O)[C@@H]1CCCCN1Cc1ccccc1 ZINC000791741185 629350902 /nfs/dbraw/zinc/35/09/02/629350902.db2.gz KPNDQWKJRIXRNM-MSOLQXFVSA-N 0 1 298.430 2.959 20 30 CFEDMN N#CC(C(=O)Nc1ccc(Cl)cc1)C(=O)[C@H]1CC1(F)F ZINC000835060135 629363825 /nfs/dbraw/zinc/36/38/25/629363825.db2.gz JLLVMPFIKJOSTD-NXEZZACHSA-N 0 1 298.676 2.643 20 30 CFEDMN N#CC(C(=O)Nc1ccccc1Cl)C(=O)[C@@H]1CC1(F)F ZINC000835063144 629366420 /nfs/dbraw/zinc/36/64/20/629366420.db2.gz VEJYJHMSBUBQGG-YUMQZZPRSA-N 0 1 298.676 2.643 20 30 CFEDMN C=CCN(C[C@@H](O)c1ccc(F)cc1F)[C@H](C)COC ZINC000852358536 634731989 /nfs/dbraw/zinc/73/19/89/634731989.db2.gz VWSNLFRTGOUHMK-IAQYHMDHSA-N 0 1 285.334 2.521 20 30 CFEDMN N#CC(C(=O)[C@@H]1CCCOC1)c1nccc2ccccc21 ZINC000792094027 629396983 /nfs/dbraw/zinc/39/69/83/629396983.db2.gz MCAKCBJHMKXFCR-HIFRSBDPSA-N 0 1 280.327 2.838 20 30 CFEDMN N#C[C@H](C(=O)C1CCC(=O)CC1)c1cnc2ccccc2n1 ZINC000792104779 629398154 /nfs/dbraw/zinc/39/81/54/629398154.db2.gz RLFMNJRAPAVAGR-ZDUSSCGKSA-N 0 1 293.326 2.565 20 30 CFEDMN CCO[C@@H](CC)C(=O)C(C#N)c1cnc2ccccc2n1 ZINC000792111163 629398967 /nfs/dbraw/zinc/39/89/67/629398967.db2.gz XPSQOCJPHHFDEV-NHYWBVRUSA-N 0 1 283.331 2.621 20 30 CFEDMN CCCCCCCCCN1CCN(C(=O)COC)CC1 ZINC000792205716 629410736 /nfs/dbraw/zinc/41/07/36/629410736.db2.gz UNYQJSXKCHDVFZ-UHFFFAOYSA-N 0 1 284.444 2.528 20 30 CFEDMN C=CCN(C[C@H]1CC1(Cl)Cl)[C@H](C)COC ZINC000852360235 634733830 /nfs/dbraw/zinc/73/38/30/634733830.db2.gz WKWPHBVWPJSKQY-NXEZZACHSA-N 0 1 252.185 2.703 20 30 CFEDMN CCCCCCCCCN1CCN2C(=O)OC[C@H]2C1 ZINC000792240806 629413283 /nfs/dbraw/zinc/41/32/83/629413283.db2.gz ODENVIMCECUPLJ-CQSZACIVSA-N 0 1 268.401 2.873 20 30 CFEDMN C=CCN(CCOC)C[C@H](O)c1ccc(Cl)c(F)c1 ZINC000792407757 629424411 /nfs/dbraw/zinc/42/44/11/629424411.db2.gz WULOWEBZBJELAI-AWEZNQCLSA-N 0 1 287.762 2.647 20 30 CFEDMN C#CCN1CCC[C@H]1COC(=O)c1cccc(SC)c1 ZINC000835139717 629456047 /nfs/dbraw/zinc/45/60/47/629456047.db2.gz LIOFDBCWDBXOGE-AWEZNQCLSA-N 0 1 289.400 2.663 20 30 CFEDMN Cc1nc(C)c(C=NNc2nnc(-c3ccccc3)n2C)o1 ZINC000792975210 629472508 /nfs/dbraw/zinc/47/25/08/629472508.db2.gz ZBVZHCRGLGJCJO-UHFFFAOYSA-N 0 1 296.334 2.533 20 30 CFEDMN Cc1cccc2[nH]c([C@H](C#N)C(=O)[C@@H]3CC3(F)F)nc21 ZINC000835174999 629489324 /nfs/dbraw/zinc/48/93/24/629489324.db2.gz XYPUJFYEIFCZSN-BDAKNGLRSA-N 0 1 275.258 2.703 20 30 CFEDMN CC[C@H](C)CON=Cc1cn(-c2ccncc2)nc1C ZINC000793146004 629492967 /nfs/dbraw/zinc/49/29/67/629492967.db2.gz NUUTZHNYECTPND-LBPRGKRZSA-N 0 1 272.352 2.972 20 30 CFEDMN CC[C@H](C)CON=Cc1ccc(N(C)CCOC)nc1 ZINC000793164017 629495831 /nfs/dbraw/zinc/49/58/31/629495831.db2.gz PTOVYWRCXXIGDY-ZDUSSCGKSA-N 0 1 279.384 2.561 20 30 CFEDMN Cn1ncc(Cl)c1CN=Nc1cccc(Cl)n1 ZINC000793164229 629495869 /nfs/dbraw/zinc/49/58/69/629495869.db2.gz UANSCULZZFFBNA-UHFFFAOYSA-N 0 1 270.123 2.568 20 30 CFEDMN Clc1cccc(NN=Cc2ccc3c(c2)OCCO3)n1 ZINC000793173651 629498487 /nfs/dbraw/zinc/49/84/87/629498487.db2.gz CDVHDHVRWWOBGF-UHFFFAOYSA-N 0 1 289.722 2.952 20 30 CFEDMN C=C[C@@H](CC)OC(=O)c1ccc(-c2nnc[nH]2)cc1 ZINC000793184295 629500946 /nfs/dbraw/zinc/50/09/46/629500946.db2.gz DRDCDLTYWKOSNO-LBPRGKRZSA-N 0 1 257.293 2.593 20 30 CFEDMN N#CC1(COC(=O)c2ccc(-c3nnc[nH]3)cc2)CCCC1 ZINC000793189783 629502065 /nfs/dbraw/zinc/50/20/65/629502065.db2.gz KVUWAIQZUHRROU-UHFFFAOYSA-N 0 1 296.330 2.712 20 30 CFEDMN C#CC[C@@H](Cc1ccccc1)OC(=O)[C@H](C(C)C)N(C)C ZINC000793376349 629533756 /nfs/dbraw/zinc/53/37/56/629533756.db2.gz ZYEQRQZMJMGZTB-IRXDYDNUSA-N 0 1 287.403 2.750 20 30 CFEDMN CC(C)[C@@H]1CCCN1Cn1cc2c(c(C#N)c1=O)CCCC2 ZINC000793486730 629556051 /nfs/dbraw/zinc/55/60/51/629556051.db2.gz PPDIEGNCBLXTFU-KRWDZBQOSA-N 0 1 299.418 2.677 20 30 CFEDMN CC[C@@H]1C[C@@H](C)CN1Cn1cc2c(c(C#N)c1=O)CCCC2 ZINC000793503399 629557673 /nfs/dbraw/zinc/55/76/73/629557673.db2.gz ICGYERNOYALTMV-UKRRQHHQSA-N 0 1 299.418 2.677 20 30 CFEDMN C=CC(C)(C)C(=O)OC[C@@H]1CCCN1Cc1ccco1 ZINC000835245389 629558919 /nfs/dbraw/zinc/55/89/19/629558919.db2.gz BLBDUSGFSDSRTD-ZDUSSCGKSA-N 0 1 277.364 2.999 20 30 CFEDMN Cn1cnc(C=NNc2ccc(Br)cc2F)c1 ZINC000794508616 629651853 /nfs/dbraw/zinc/65/18/53/629651853.db2.gz QEELJIKJHGDCNW-UHFFFAOYSA-N 0 1 297.131 2.768 20 30 CFEDMN Cc1cc(NN=C2COCc3cccc(Cl)c32)ncn1 ZINC000794511813 629652502 /nfs/dbraw/zinc/65/25/02/629652502.db2.gz JEHMKEZKKXEKSI-UHFFFAOYSA-N 0 1 288.738 2.785 20 30 CFEDMN C#CCO[C@@H](C)C(=O)C(C#N)c1ncc(C(C)(C)C)s1 ZINC000835388555 629675597 /nfs/dbraw/zinc/67/55/97/629675597.db2.gz SMLQUCCZNOESLK-QWRGUYRKSA-N 0 1 290.388 2.655 20 30 CFEDMN C#CCO[C@H](C)C(=O)C(C#N)c1ncc(C(C)(C)C)s1 ZINC000835388553 629676276 /nfs/dbraw/zinc/67/62/76/629676276.db2.gz SMLQUCCZNOESLK-MNOVXSKESA-N 0 1 290.388 2.655 20 30 CFEDMN C#CCOc1ccccc1CN[C@H]1CCCc2nn(C)cc21 ZINC000794808782 629688634 /nfs/dbraw/zinc/68/86/34/629688634.db2.gz CJSRCGZYGHHTAJ-INIZCTEOSA-N 0 1 295.386 2.599 20 30 CFEDMN CC(=NNc1ccccn1)c1ccc2[nH]c(=O)oc2c1 ZINC000794869720 629697994 /nfs/dbraw/zinc/69/79/94/629697994.db2.gz CHOKKZBEXNEETE-UHFFFAOYSA-N 0 1 268.276 2.765 20 30 CFEDMN CC(=NNc1ccc(F)cn1)c1ccc2[nH]c(=O)oc2c1 ZINC000794910071 629702363 /nfs/dbraw/zinc/70/23/63/629702363.db2.gz XMZPTBLNEBAKCL-UHFFFAOYSA-N 0 1 286.266 2.904 20 30 CFEDMN CCc1cccc2c1OCCC2N=Nc1cnn(C)c1 ZINC000794939118 629707393 /nfs/dbraw/zinc/70/73/93/629707393.db2.gz GVFGLIKFWBHHMM-UHFFFAOYSA-N 0 1 270.336 2.581 20 30 CFEDMN Clc1cc2c(c(CN=Nc3cncnc3)c1)OCC2 ZINC000794971744 629713050 /nfs/dbraw/zinc/71/30/50/629713050.db2.gz IYXNQKMCUWLGAC-UHFFFAOYSA-N 0 1 274.711 2.511 20 30 CFEDMN C(=NNc1cncnc1)c1ccccc1OCC1CC1 ZINC000794976570 629714255 /nfs/dbraw/zinc/71/42/55/629714255.db2.gz MYZOPIGAFTVMLC-UHFFFAOYSA-N 0 1 268.320 2.711 20 30 CFEDMN CC1(C)Cc2cc(C=NNc3cncnc3)ccc2O1 ZINC000794977221 629714588 /nfs/dbraw/zinc/71/45/88/629714588.db2.gz YACHZLUKOCDCIL-UHFFFAOYSA-N 0 1 268.320 2.636 20 30 CFEDMN CC1(C)Cc2cccc(C=NNc3cncnc3)c2O1 ZINC000794978626 629715339 /nfs/dbraw/zinc/71/53/39/629715339.db2.gz LIUBWAIZLOQJRY-UHFFFAOYSA-N 0 1 268.320 2.636 20 30 CFEDMN CCCOc1ccc(C=NNc2cncnc2)cc1 ZINC000794978224 629715361 /nfs/dbraw/zinc/71/53/61/629715361.db2.gz CLRXWKLHDPNAFC-UHFFFAOYSA-N 0 1 256.309 2.711 20 30 CFEDMN Cc1nn(-c2ccncc2)cc1CN=Nc1ncccc1F ZINC000794981575 629717044 /nfs/dbraw/zinc/71/70/44/629717044.db2.gz XSLWHDKOWPBZHT-UHFFFAOYSA-N 0 1 296.309 2.556 20 30 CFEDMN CC(=NNc1cccc(F)n1)c1cc(F)ccc1O ZINC000795007919 629723437 /nfs/dbraw/zinc/72/34/37/629723437.db2.gz RIKFKSLKXDHMBN-UHFFFAOYSA-N 0 1 263.247 2.902 20 30 CFEDMN Fc1cc(F)cc(CN=Nc2cccc(F)n2)c1 ZINC000795007851 629723470 /nfs/dbraw/zinc/72/34/70/629723470.db2.gz OESLBUFQVRDBIJ-UHFFFAOYSA-N 0 1 251.211 2.945 20 30 CFEDMN CC(C)(C)c1n[nH]cc1C=NNc1cccc(F)n1 ZINC000795008864 629723729 /nfs/dbraw/zinc/72/37/29/629723729.db2.gz QKBWZXSMLUGXLO-UHFFFAOYSA-N 0 1 261.304 2.687 20 30 CFEDMN C=CCCCCCN(C)CN1C[C@H](C(F)F)CC1=O ZINC000795432470 629777390 /nfs/dbraw/zinc/77/73/90/629777390.db2.gz OBZPSMBODYTSQD-GFCCVEGCSA-N 0 1 274.355 2.736 20 30 CFEDMN C=CCOCCCOC(=O)[C@H](C(C)C)N1CCCCC1 ZINC000795521573 629792621 /nfs/dbraw/zinc/79/26/21/629792621.db2.gz LNNRQCBJPAIYPP-HNNXBMFYSA-N 0 1 283.412 2.633 20 30 CFEDMN C[C@H](CC(=O)[C@@H](C#N)C(=O)NC1CC1)C1CCCCC1 ZINC000102120103 629815161 /nfs/dbraw/zinc/81/51/61/629815161.db2.gz SFPSZYWCJOYJDL-BXUZGUMPSA-N 0 1 276.380 2.580 20 30 CFEDMN C#C[C@H](NC/C=C/c1ccc(F)c(F)c1)[C@@H]1CCCO1 ZINC000796354237 629907788 /nfs/dbraw/zinc/90/77/88/629907788.db2.gz XOTVOOIYCOSOTM-TVKHYIBRSA-N 0 1 277.314 2.748 20 30 CFEDMN C=CCN1CCCC[C@H]1COC(=O)N1CCC[C@@H](C)C1 ZINC000796571546 629936542 /nfs/dbraw/zinc/93/65/42/629936542.db2.gz MZCDNPTXSKGXNF-CABCVRRESA-N 0 1 280.412 2.895 20 30 CFEDMN C=CCNC(=O)C(C#N)C(=O)[C@@H]1CCC[C@@H]2CCCC[C@@H]12 ZINC000796796440 629968894 /nfs/dbraw/zinc/96/88/94/629968894.db2.gz DPOORFQHZZMQTJ-GBJTYRQASA-N 0 1 288.391 2.604 20 30 CFEDMN CC[C@](C)(C#N)C(=O)Nc1ccc(CN(C)C)c(F)c1 ZINC000796946929 629994136 /nfs/dbraw/zinc/99/41/36/629994136.db2.gz GKJGTQPJAOFCAO-OAHLLOKOSA-N 0 1 277.343 2.766 20 30 CFEDMN C#CCN1CCC[C@@H]1COC(=O)C(C1CCC1)C1CCC1 ZINC000796988629 630000516 /nfs/dbraw/zinc/00/05/16/630000516.db2.gz LCJMFPKWMJXYJF-MRXNPFEDSA-N 0 1 289.419 2.844 20 30 CFEDMN Cc1noc(C)c1C(C)(C)C(=O)Nc1cc(C#N)ccc1O ZINC000797748661 630099918 /nfs/dbraw/zinc/09/99/18/630099918.db2.gz NVFHCAAXPDTLBJ-UHFFFAOYSA-N 0 1 299.330 2.785 20 30 CFEDMN N#C[C@@H](C(=O)[C@@H]1C[C@H]1c1ccc(F)cc1)c1ccncn1 ZINC000798288820 630176994 /nfs/dbraw/zinc/17/69/94/630176994.db2.gz QHRJGORKAQKCRU-BFHYXJOUSA-N 0 1 281.290 2.596 20 30 CFEDMN CC[C@@H](C(=O)OCC#CC(C)(C)C)N(CC)CC ZINC000798886945 630253522 /nfs/dbraw/zinc/25/35/22/630253522.db2.gz LDVAGHLBIWSETJ-ZDUSSCGKSA-N 0 1 253.386 2.700 20 30 CFEDMN C=C[C@@H](OC(=O)c1ccc([N+](=O)[O-])[nH]1)C(C)(C)C ZINC000798906934 630258219 /nfs/dbraw/zinc/25/82/19/630258219.db2.gz RVYLTBAFLAYSBF-SECBINFHSA-N 0 1 252.270 2.680 20 30 CFEDMN C(CN1CCCCC1)NN=C1CCC[C@H]([C@@H]2CCOC2)C1 ZINC000799109151 630275534 /nfs/dbraw/zinc/27/55/34/630275534.db2.gz WRQAARZHODDDHG-JKSUJKDBSA-N 0 1 293.455 2.645 20 30 CFEDMN C(CN1CCCCC1)NN=C1CCC[C@@H]([C@@H]2CCOC2)C1 ZINC000799109150 630275772 /nfs/dbraw/zinc/27/57/72/630275772.db2.gz WRQAARZHODDDHG-HZPDHXFCSA-N 0 1 293.455 2.645 20 30 CFEDMN COc1ccccc1CON=C1C[C@H](C)N(C2CC2)C1 ZINC000799117162 630277678 /nfs/dbraw/zinc/27/76/78/630277678.db2.gz JBUVLKIKILCYEI-LBPRGKRZSA-N 0 1 274.364 2.824 20 30 CFEDMN C#CC[C@@H](NCc1cnc(OC)nc1C)c1ccccc1 ZINC000799153646 630280029 /nfs/dbraw/zinc/28/00/29/630280029.db2.gz DKOLUJVZNARNJU-MRXNPFEDSA-N 0 1 281.359 2.648 20 30 CFEDMN C#CCN(Cc1ccc(F)cc1)CC1(CC(=O)OC)CC1 ZINC000799298074 630293227 /nfs/dbraw/zinc/29/32/27/630293227.db2.gz USKGPMNYFALJSH-UHFFFAOYSA-N 0 1 289.350 2.604 20 30 CFEDMN CCOC(=O)c1cc(C=NNc2cc(C)ccn2)[nH]c1C ZINC000799481705 630313519 /nfs/dbraw/zinc/31/35/19/630313519.db2.gz HDMVPRXSSBAOCA-UHFFFAOYSA-N 0 1 286.335 2.649 20 30 CFEDMN Cc1ccc(C(=O)Nc2nc(C3CCC3)n[nH]2)cc1C#N ZINC000799720549 630338931 /nfs/dbraw/zinc/33/89/31/630338931.db2.gz QPWLTYHAIJHEKC-UHFFFAOYSA-N 0 1 281.319 2.505 20 30 CFEDMN Cc1ccc(C(=O)Nc2n[nH]c(C3CCC3)n2)cc1C#N ZINC000799720549 630338934 /nfs/dbraw/zinc/33/89/34/630338934.db2.gz QPWLTYHAIJHEKC-UHFFFAOYSA-N 0 1 281.319 2.505 20 30 CFEDMN CCCC[C@@H](C)C(=O)C(C#N)C(=O)NC1CCCC1 ZINC000800387619 630376433 /nfs/dbraw/zinc/37/64/33/630376433.db2.gz USMPIBPOHLPSOX-YPMHNXCESA-N 0 1 264.369 2.580 20 30 CFEDMN CCCC[C@@H](C)C(=O)C(C#N)C(=O)NC1CCCC1 ZINC000800387617 630376678 /nfs/dbraw/zinc/37/66/78/630376678.db2.gz USMPIBPOHLPSOX-DGCLKSJQSA-N 0 1 264.369 2.580 20 30 CFEDMN C#C[C@H](N[C@@H](C)c1cnn(C2CCCC2)c1)[C@H]1CCCO1 ZINC000800490876 630391997 /nfs/dbraw/zinc/39/19/97/630391997.db2.gz PSPMKOTTZMFNGR-RRQGHBQHSA-N 0 1 287.407 2.830 20 30 CFEDMN CCc1oc(C=N[N-]c2[nH+]cccc2C)cc1C(=O)OC ZINC000800816616 630408373 /nfs/dbraw/zinc/40/83/73/630408373.db2.gz OTNIUFZDCXIWRN-UHFFFAOYSA-N 0 1 287.319 2.778 20 30 CFEDMN Cc1cc(C)cc([C@H](O)CNCc2ccc(C#N)o2)c1 ZINC000800898173 630415487 /nfs/dbraw/zinc/41/54/87/630415487.db2.gz SSGSQLLAPOJAQG-MRXNPFEDSA-N 0 1 270.332 2.591 20 30 CFEDMN N#Cc1ccc(CNC(=O)C(F)(F)C(F)F)cc1Cl ZINC000801070440 630426000 /nfs/dbraw/zinc/42/60/00/630426000.db2.gz IQEQEDFOKYIKCU-UHFFFAOYSA-N 0 1 294.635 2.728 20 30 CFEDMN C[C@H](C#N)OCCN1CCS[C@H](c2ccccc2)C1 ZINC000801921748 630488659 /nfs/dbraw/zinc/48/86/59/630488659.db2.gz LJIFQNMPAGIGNZ-HIFRSBDPSA-N 0 1 276.405 2.705 20 30 CFEDMN C[C@H](C#N)OCCN1CC=C(c2ccc(Cl)nc2)CC1 ZINC000801941345 630493286 /nfs/dbraw/zinc/49/32/86/630493286.db2.gz YSCLFWOFPXPHAS-GFCCVEGCSA-N 0 1 291.782 2.753 20 30 CFEDMN C=CCCCCCN(C)CN1C[C@H]2CCC[C@H]2C1=O ZINC000840005006 630628133 /nfs/dbraw/zinc/62/81/33/630628133.db2.gz BIJSCRXDFMEHNL-HUUCEWRRSA-N 0 1 264.413 2.881 20 30 CFEDMN C=CCc1cc(CN2CC[C@@H](F)C2)c(O)c(OC)c1 ZINC000840107858 630902213 /nfs/dbraw/zinc/90/22/13/630902213.db2.gz ZZJBXEIUVAGPPV-CYBMUJFWSA-N 0 1 265.328 2.673 20 30 CFEDMN CCO[C@H]1CC(=NN=c2[nH]c3ccccc3[nH]2)[C@@H]1SC ZINC000807945717 630925223 /nfs/dbraw/zinc/92/52/23/630925223.db2.gz HLNKVPMRKPFUJM-STQMWFEESA-N 0 1 290.392 2.871 20 30 CFEDMN COc1ccc(C=NNc2ccccn2)c(C)c1OC ZINC000807949549 630925238 /nfs/dbraw/zinc/92/52/38/630925238.db2.gz ILGIYNWMMSALFJ-UHFFFAOYSA-N 0 1 271.320 2.853 20 30 CFEDMN COc1ccc2c(c1F)CCC2=NNc1ccccn1 ZINC000807950790 630925282 /nfs/dbraw/zinc/92/52/82/630925282.db2.gz XIGSQWLEWOGYBY-UHFFFAOYSA-N 0 1 271.295 2.992 20 30 CFEDMN C[C@H]1CC(N=Nc2ccnc(N(C)C)n2)c2ccccc21 ZINC000807972942 630928270 /nfs/dbraw/zinc/92/82/70/630928270.db2.gz XGWFXKIRNYKBIM-NSHDSACASA-N 0 1 281.363 2.866 20 30 CFEDMN Oc1c(F)cc(Cl)cc1C=NN[C@H]1CCSC1 ZINC000808003346 630938207 /nfs/dbraw/zinc/93/82/07/630938207.db2.gz MPLOZOAOEGGDSC-VIFPVBQESA-N 0 1 274.748 2.614 20 30 CFEDMN C=CCONC(=O)C(C)(C)c1cccc(Br)c1 ZINC000837045973 630944352 /nfs/dbraw/zinc/94/43/52/630944352.db2.gz CDPNRAIACPTQDS-UHFFFAOYSA-N 0 1 298.180 2.961 20 30 CFEDMN C#Cc1cccc(CNC(=O)c2[nH]nc3c2CCCCC3)c1 ZINC000837107569 630957455 /nfs/dbraw/zinc/95/74/55/630957455.db2.gz RNCBBIARMCEXFQ-UHFFFAOYSA-N 0 1 293.370 2.590 20 30 CFEDMN CC[C@@H](C)c1nc([C@@H](C)NC(=O)C#CC(C)(C)C)n[nH]1 ZINC000837573466 631072119 /nfs/dbraw/zinc/07/21/19/631072119.db2.gz CROABMXXXLNRMY-GHMZBOCLSA-N 0 1 276.384 2.545 20 30 CFEDMN C#Cc1ccc(CN[C@@H]2CCN(c3ccccc3)C2=O)cc1 ZINC000809615038 631247151 /nfs/dbraw/zinc/24/71/51/631247151.db2.gz RIXIJMVTVNYPCW-GOSISDBHSA-N 0 1 290.366 2.563 20 30 CFEDMN C#CCCOc1ccc(CNc2nccn2CC)cc1 ZINC000840886377 631252568 /nfs/dbraw/zinc/25/25/68/631252568.db2.gz DYXYOMGBSRNLAO-UHFFFAOYSA-N 0 1 269.348 2.917 20 30 CFEDMN COc1ccc(CNc2nccn2C2CC2)cc1C#N ZINC000840888955 631253128 /nfs/dbraw/zinc/25/31/28/631253128.db2.gz JUHPFQNJJISZHC-UHFFFAOYSA-N 0 1 268.320 2.710 20 30 CFEDMN C#C[C@H](C)NCc1ccc(N(C)c2ccccc2)nc1 ZINC000809683616 631261525 /nfs/dbraw/zinc/26/15/25/631261525.db2.gz GENLKVHBMRRXKF-AWEZNQCLSA-N 0 1 265.360 2.961 20 30 CFEDMN C#C[C@@H](C)NCc1ccc(OC)cc1OCc1cccnc1 ZINC000809684114 631261570 /nfs/dbraw/zinc/26/15/70/631261570.db2.gz OCYKKDQKWYXLIX-CQSZACIVSA-N 0 1 296.370 2.781 20 30 CFEDMN C#C[C@H](CC)NCc1ccnn1-c1ccccc1C ZINC000809685712 631262217 /nfs/dbraw/zinc/26/22/17/631262217.db2.gz MMUYPBZTBIPYCJ-CQSZACIVSA-N 0 1 253.349 2.682 20 30 CFEDMN C[N@@H+](CCOCc1ccc(C#N)cc1)Cc1ccccc1O ZINC000809789336 631290349 /nfs/dbraw/zinc/29/03/49/631290349.db2.gz CEWUVUIARFKKNS-UHFFFAOYSA-N 0 1 296.370 2.912 20 30 CFEDMN CCc1cc(CN[C@H]2CCc3ccc(C#N)cc32)[nH]n1 ZINC000810218074 631345534 /nfs/dbraw/zinc/34/55/34/631345534.db2.gz OKRGSASLMVHBQA-INIZCTEOSA-N 0 1 266.348 2.621 20 30 CFEDMN C#CCC(C)(C)C(=O)O[C@@H]1CCN(Cc2ccccc2)C1 ZINC000810573873 631394019 /nfs/dbraw/zinc/39/40/19/631394019.db2.gz XKSRKVOZNVQQSY-MRXNPFEDSA-N 0 1 285.387 2.854 20 30 CFEDMN C#CCC(C)(C)COC(=O)[C@@]1(F)CCN(C(C)(C)C)C1 ZINC000810660287 631421049 /nfs/dbraw/zinc/42/10/49/631421049.db2.gz IESXNDHHFNHLCW-MRXNPFEDSA-N 0 1 283.387 2.792 20 30 CFEDMN N#C[C@@H](C(=O)Cc1ccc(Cl)c(F)c1)c1ccncn1 ZINC000810674084 631424696 /nfs/dbraw/zinc/42/46/96/631424696.db2.gz WYGGBYOTIJUEKQ-SNVBAGLBSA-N 0 1 289.697 2.688 20 30 CFEDMN CC#CCCCCOC(=O)[C@]1(F)CCN(C(C)(C)C)C1 ZINC000810679164 631425173 /nfs/dbraw/zinc/42/51/73/631425173.db2.gz LUWJJYRKBUJKIU-INIZCTEOSA-N 0 1 283.387 2.936 20 30 CFEDMN CC#CCCCCOC(=O)[C@@]1(F)CCN(C(C)(C)C)C1 ZINC000810679166 631425719 /nfs/dbraw/zinc/42/57/19/631425719.db2.gz LUWJJYRKBUJKIU-MRXNPFEDSA-N 0 1 283.387 2.936 20 30 CFEDMN Cc1cccc2c1C(=NNC1=N[C@@H]3CCCC[C@@H]3N1)CC2 ZINC000841631708 631437817 /nfs/dbraw/zinc/43/78/17/631437817.db2.gz GEKMRADDXCCWTK-OKILXGFUSA-N 0 1 282.391 2.505 20 30 CFEDMN C#CCC1(OC(=O)c2ccc(-c3nnc[nH]3)cc2)CCC1 ZINC000810748693 631439149 /nfs/dbraw/zinc/43/91/49/631439149.db2.gz KOCLKSBXOWXEHA-UHFFFAOYSA-N 0 1 281.315 2.575 20 30 CFEDMN C#Cc1ccccc1CC(=O)Nc1c(C)n[nH]c1C(F)F ZINC000810856265 631460526 /nfs/dbraw/zinc/46/05/26/631460526.db2.gz QAQPAZVGSBYIRA-UHFFFAOYSA-N 0 1 289.285 2.818 20 30 CFEDMN CC[C@@H](CC1CCCC1)C(=O)C(C#N)C(=O)N1CCCC1 ZINC000842285076 631579339 /nfs/dbraw/zinc/57/93/39/631579339.db2.gz MUMUGRMVRZGJCI-GJZGRUSLSA-N 0 1 290.407 2.924 20 30 CFEDMN Cc1ccc(N=NC2CCN(Cc3ccccc3)[C@@H]2C)nn1 ZINC000811641441 631590392 /nfs/dbraw/zinc/59/03/92/631590392.db2.gz CMFWARNLUPYLBB-CQSZACIVSA-N 0 1 295.390 2.847 20 30 CFEDMN N#Cc1ccc2c(c1)C(=NNc1ccc(F)cn1)CC2 ZINC000811642391 631590496 /nfs/dbraw/zinc/59/04/96/631590496.db2.gz PGVKNIRORCIVCP-UHFFFAOYSA-N 0 1 266.279 2.855 20 30 CFEDMN CCCON=CC1(CN2CCOCC2)CCCCC1 ZINC000842558189 631663899 /nfs/dbraw/zinc/66/38/99/631663899.db2.gz VBAGYUKEAWTZQW-UHFFFAOYSA-N 0 1 268.401 2.682 20 30 CFEDMN C#Cc1ccccc1Cc1nc([C@@H](N)CC(C)C)no1 ZINC000842586228 631673600 /nfs/dbraw/zinc/67/36/00/631673600.db2.gz KOOOVMAPORUCHE-AWEZNQCLSA-N 0 1 269.348 2.688 20 30 CFEDMN C[C@@H]1CN(c2ccccc2C=NOC2CCC2)CCO1 ZINC000812236987 631675008 /nfs/dbraw/zinc/67/50/08/631675008.db2.gz DKACEIFHRCGDTJ-CYBMUJFWSA-N 0 1 274.364 2.815 20 30 CFEDMN C#CC1CCN(CN2C[C@@H](c3ccc(C)cc3)CC2=O)CC1 ZINC000842633460 631687002 /nfs/dbraw/zinc/68/70/02/631687002.db2.gz IEDVIGZSAXEWPL-SFHVURJKSA-N 0 1 296.414 2.614 20 30 CFEDMN C#CC1CCN(CN2C[C@@H](c3ccccc3C)CC2=O)CC1 ZINC000842634629 631688356 /nfs/dbraw/zinc/68/83/56/631688356.db2.gz ZBBRFNCCBFOWPT-KRWDZBQOSA-N 0 1 296.414 2.614 20 30 CFEDMN CC1(C)CCC[C@@H]1[C@@H]1CCN(Cn2cccc(C#N)c2=O)C1 ZINC000842635323 631688693 /nfs/dbraw/zinc/68/86/93/631688693.db2.gz MAZVZBSJZOBAEI-HZPDHXFCSA-N 0 1 299.418 2.826 20 30 CFEDMN C[C@H](O)c1ncc(CNCc2ccc(CC#N)cc2)s1 ZINC000842719712 631716172 /nfs/dbraw/zinc/71/61/72/631716172.db2.gz JMZQRSSKRWEEAC-NSHDSACASA-N 0 1 287.388 2.552 20 30 CFEDMN C=CCCOCC(=O)C(C#N)c1nc(C2CC2)cs1 ZINC000842941297 631788299 /nfs/dbraw/zinc/78/82/99/631788299.db2.gz HZNBWLKPKXWAIO-LLVKDONJSA-N 0 1 276.361 2.789 20 30 CFEDMN CCCCCNC(=O)C(C#N)C(=O)CCCC1CC1 ZINC000813059191 631821988 /nfs/dbraw/zinc/82/19/88/631821988.db2.gz WDBPGVLLIRDPTI-ZDUSSCGKSA-N 0 1 264.369 2.582 20 30 CFEDMN C#CCN(CC(=O)N1[C@@H](C)CCC[C@@H]1C)C1CCCC1 ZINC000155839967 650034087 /nfs/dbraw/zinc/03/40/87/650034087.db2.gz LUBXLRHKXLMEOG-GJZGRUSLSA-N 0 1 276.424 2.654 20 30 CFEDMN C#CCN(CC(=O)N(C1CC1)C1CCCC1)C1CCCC1 ZINC000155923899 650036703 /nfs/dbraw/zinc/03/67/03/650036703.db2.gz OTLYMRPSDXATNG-UHFFFAOYSA-N 0 1 288.435 2.798 20 30 CFEDMN CC(C)CC1CCN(Cc2cnc3c(C#N)cnn3c2)CC1 ZINC000843396226 631944490 /nfs/dbraw/zinc/94/44/90/631944490.db2.gz HCLKXPKOPAQCOL-UHFFFAOYSA-N 0 1 297.406 2.859 20 30 CFEDMN C#C[C@@H](CC)NCc1cnn(-c2ccccc2C)c1 ZINC000843409255 631946866 /nfs/dbraw/zinc/94/68/66/631946866.db2.gz QDXAJVSVFCBTMF-HNNXBMFYSA-N 0 1 253.349 2.682 20 30 CFEDMN O=C(/C=C\c1cnn(CC(F)F)c1)c1cc(F)ccc1O ZINC000814189976 632028486 /nfs/dbraw/zinc/02/84/86/632028486.db2.gz MDJGVTRTOTUYKT-IWQZZHSRSA-N 0 1 296.248 2.889 20 30 CFEDMN C#CC[C@@H]1CCCN(C(=O)c2cc(C)cc3c[nH]nc32)C1 ZINC000844001968 632092492 /nfs/dbraw/zinc/09/24/92/632092492.db2.gz QTBJZYZJRXOTBC-CYBMUJFWSA-N 0 1 281.359 2.747 20 30 CFEDMN CC(=NN=c1[nH]c2ccccc2n1C)c1cccc(CO)c1 ZINC000814807282 632128614 /nfs/dbraw/zinc/12/86/14/632128614.db2.gz OECBWKYFFXJFGD-UHFFFAOYSA-N 0 1 294.358 2.902 20 30 CFEDMN CCCCCC[C@H](C)NN=Cc1cnc(N(C)C)nc1 ZINC000814858558 632140608 /nfs/dbraw/zinc/14/06/08/632140608.db2.gz BSCLMALJQVKEGJ-ZDUSSCGKSA-N 0 1 277.416 2.825 20 30 CFEDMN CCCCCCCC[N@@H+](CC(=O)[O-])C1CCOCC1 ZINC000844241145 632144359 /nfs/dbraw/zinc/14/43/59/632144359.db2.gz BZWPXFCVBQFXDT-UHFFFAOYSA-N 0 1 271.401 2.913 20 30 CFEDMN CSc1ccc(C=NNC2=N[C@H]3CCCC[C@@H]3N2)s1 ZINC000814886058 632149522 /nfs/dbraw/zinc/14/95/22/632149522.db2.gz PZNWULIWZRRJJS-QWRGUYRKSA-N 0 1 294.449 2.664 20 30 CFEDMN COc1ccc(N=NC(C)c2ccccc2C#N)nc1 ZINC000814908175 632159227 /nfs/dbraw/zinc/15/92/27/632159227.db2.gz JMNODVIVBQZIQB-UHFFFAOYSA-N 0 1 266.304 2.798 20 30 CFEDMN CSCCON=C1CCCc2ccc(N)cc21 ZINC000814921813 632165819 /nfs/dbraw/zinc/16/58/19/632165819.db2.gz DBSIUALGYVVTDZ-UHFFFAOYSA-N 0 1 250.367 2.689 20 30 CFEDMN Oc1c(CN=Nc2cncnc2)ccc2ccccc21 ZINC000814926870 632167881 /nfs/dbraw/zinc/16/78/81/632167881.db2.gz NUZBIPIWYRFGFS-UHFFFAOYSA-N 0 1 264.288 2.781 20 30 CFEDMN CC(=NNC[C@@H]1CCSC1)c1ccc(Cl)c(N)c1 ZINC000814935725 632173755 /nfs/dbraw/zinc/17/37/55/632173755.db2.gz QQBNJJWGXNUVIK-JTQLQIEISA-N 0 1 283.828 2.989 20 30 CFEDMN Fc1cncnc1NN=Cc1conc1Cc1ccccc1 ZINC000814939749 632175229 /nfs/dbraw/zinc/17/52/29/632175229.db2.gz DDEWCTIIEWVELK-UHFFFAOYSA-N 0 1 297.293 2.641 20 30 CFEDMN C[C@H]1CC(N=Nc2ccc(F)c(F)c2F)CN1C ZINC000814945537 632176980 /nfs/dbraw/zinc/17/69/80/632176980.db2.gz DSMWFQFMLGMXSM-ZETCQYMHSA-N 0 1 257.259 2.596 20 30 CFEDMN CC(=NNc1ccc(F)c(F)c1F)c1cn[nH]c1 ZINC000814945285 632177317 /nfs/dbraw/zinc/17/73/17/632177317.db2.gz UKJXRENSXLVAOR-UHFFFAOYSA-N 0 1 254.215 2.663 20 30 CFEDMN CC(=NNc1ccc(F)c(F)c1F)c1ccnn1C ZINC000814946511 632177841 /nfs/dbraw/zinc/17/78/41/632177841.db2.gz OTYNHYJOSVGTOD-UHFFFAOYSA-N 0 1 268.242 2.674 20 30 CFEDMN CCc1ccc(CN(C)C[C@H](O)c2cccc(C#N)c2)nc1 ZINC000844370121 632182377 /nfs/dbraw/zinc/18/23/77/632182377.db2.gz FYEZQRFJSXUGIT-SFHVURJKSA-N 0 1 295.386 2.681 20 30 CFEDMN CC[C@@H](C)CN(C)c1ccc(F)cc1C=NNC[C@H](C)O ZINC000814965471 632182478 /nfs/dbraw/zinc/18/24/78/632182478.db2.gz BNXIGFOLVRAZRB-OLZOCXBDSA-N 0 1 295.402 2.612 20 30 CFEDMN COc1ccc2oc(C(C)N=Nc3cnnn3C)c(C)c2c1 ZINC000814981234 632184022 /nfs/dbraw/zinc/18/40/22/632184022.db2.gz ZEMUAJHKWWWDDE-UHFFFAOYSA-N 0 1 299.334 2.714 20 30 CFEDMN Cc1cccc(NC(=O)C(C#N)C(=O)[C@@H](C)C(C)(F)F)c1 ZINC000815907905 632332196 /nfs/dbraw/zinc/33/21/96/632332196.db2.gz NOTGBLCBYJXBGU-PWSUYJOCSA-N 0 1 294.301 2.934 20 30 CFEDMN CC[C@@H](CC(=O)C(C#N)C(=O)Nc1ccccn1)C(C)C ZINC000105759815 632363136 /nfs/dbraw/zinc/36/31/36/632363136.db2.gz HFMFURZZIRJQNP-QWHCGFSZSA-N 0 1 287.363 2.801 20 30 CFEDMN CCCCCNC(=O)C(C#N)C(=O)[C@H]1C[C@H]1C1CCCC1 ZINC000845444570 632435695 /nfs/dbraw/zinc/43/56/95/632435695.db2.gz YTNIMKVLOAEYIW-SOUVJXGZSA-N 0 1 290.407 2.828 20 30 CFEDMN CCCCCNC(=O)C(C#N)C(=O)[C@@H]1C[C@H]1C1CCCC1 ZINC000845444569 632435769 /nfs/dbraw/zinc/43/57/69/632435769.db2.gz YTNIMKVLOAEYIW-RRFJBIMHSA-N 0 1 290.407 2.828 20 30 CFEDMN C[C@H]1CC[C@H](C(=O)C(C#N)C(=O)Nc2ccccn2)CC1 ZINC000845446905 632436937 /nfs/dbraw/zinc/43/69/37/632436937.db2.gz WHBDAQBVFJSQBA-JHJVBQTASA-N 0 1 285.347 2.555 20 30 CFEDMN Cc1ccc2nc(NC(=O)C#Cc3ccccc3)[nH]c2c1 ZINC000817017482 632546550 /nfs/dbraw/zinc/54/65/50/632546550.db2.gz POXNEZVGLZMDMP-UHFFFAOYSA-N 0 1 275.311 2.862 20 30 CFEDMN CC(C)(C)N1CC[C@H]1COC(=O)c1cc(C#N)cs1 ZINC000845741147 632546863 /nfs/dbraw/zinc/54/68/63/632546863.db2.gz SQUCUHTUVDUNLC-NSHDSACASA-N 0 1 278.377 2.649 20 30 CFEDMN CCC[C@H](OC)C(O)=C(C#N)C(=O)C1(c2ccccc2)CC1 ZINC000845845859 632579586 /nfs/dbraw/zinc/57/95/86/632579586.db2.gz ZUKKJEFNJGCDFJ-CABCVRRESA-N 0 1 299.370 2.811 20 30 CFEDMN C[C@@H]1CCCc2ncc(C(=O)Nc3cc(C#N)ccc3O)n21 ZINC000845888469 632591482 /nfs/dbraw/zinc/59/14/82/632591482.db2.gz UUDDLCSQDCASKL-SNVBAGLBSA-N 0 1 296.330 2.610 20 30 CFEDMN CN(Cc1cc(C#N)cs1)C[C@@H](O)c1ccc(C#N)cc1 ZINC000846004794 632611876 /nfs/dbraw/zinc/61/18/76/632611876.db2.gz WBMJADKCHBZEJV-MRXNPFEDSA-N 0 1 297.383 2.657 20 30 CFEDMN CN(C)c1ccc(CNCC2(C#N)CCCC2)cc1 ZINC000846012328 632613038 /nfs/dbraw/zinc/61/30/38/632613038.db2.gz YBHPFSXQUMBMQP-UHFFFAOYSA-N 0 1 257.381 2.926 20 30 CFEDMN CC[C@H](C#N)C(=O)NCc1cc(Cl)cc(Cl)c1O ZINC000846159850 632649998 /nfs/dbraw/zinc/64/99/98/632649998.db2.gz KJGFZGOJILZKBJ-SSDOTTSWSA-N 0 1 287.146 2.865 20 30 CFEDMN COC(OC)c1ccc(F)c(CNCCCC#N)c1 ZINC000818203262 632812183 /nfs/dbraw/zinc/81/21/83/632812183.db2.gz GHALPILWXRGLGK-UHFFFAOYSA-N 0 1 266.316 2.510 20 30 CFEDMN C=CCn1cc(CN[C@H](C)c2ccc(C)c(C)c2O)nn1 ZINC000818348118 632836181 /nfs/dbraw/zinc/83/61/81/632836181.db2.gz ZAZVEZKSOJUEKB-CYBMUJFWSA-N 0 1 286.379 2.637 20 30 CFEDMN C#C[C@@H]1CCCN([C@H](C(=O)N(CC)CC)c2ccccc2)C1 ZINC000847021664 632885213 /nfs/dbraw/zinc/88/52/13/632885213.db2.gz AIQPQOMMDPJZOW-AEFFLSMTSA-N 0 1 298.430 2.941 20 30 CFEDMN C#C[C@@H]1CCCN([C@H](C)C(=O)N2c3ccccc3C[C@H]2C)C1 ZINC000847032255 632896389 /nfs/dbraw/zinc/89/63/89/632896389.db2.gz WKQPCTWYHSBZOD-BZUAXINKSA-N 0 1 296.414 2.698 20 30 CFEDMN C=C1C[C@H]2CC[C@@H](C1)N2CCS(=O)(=O)C1CCCCC1 ZINC000856761605 635849795 /nfs/dbraw/zinc/84/97/95/635849795.db2.gz TYATUVWVLIVBLX-GASCZTMLSA-N 0 1 297.464 2.917 20 30 CFEDMN C#C[C@@H]1CCCN(Cc2cc(OC(C)C)ccn2)C1 ZINC000847038881 632899556 /nfs/dbraw/zinc/89/95/56/632899556.db2.gz ZCKPPQDTVBNFSF-CQSZACIVSA-N 0 1 258.365 2.714 20 30 CFEDMN N#CCCCCC(=O)OC[C@H]1CCCN1Cc1ccco1 ZINC000847668705 633033872 /nfs/dbraw/zinc/03/38/72/633033872.db2.gz VSFCNOVRAZGDOI-CQSZACIVSA-N 0 1 290.363 2.871 20 30 CFEDMN C#CCCC[C@H](C)OC(=O)[C@@H](CC)N(CC)CC ZINC000847866139 633113958 /nfs/dbraw/zinc/11/39/58/633113958.db2.gz KXQOYJFEXUMVQH-UONOGXRCSA-N 0 1 253.386 2.842 20 30 CFEDMN C#CCCC[C@@H](C)OC(=O)[C@]1(F)CCN(C(C)(C)C)C1 ZINC000847867281 633117363 /nfs/dbraw/zinc/11/73/63/633117363.db2.gz JNXVHWJXSJGREK-CJNGLKHVSA-N 0 1 283.387 2.934 20 30 CFEDMN C#CCCC[C@@H](C)OC(=O)[C@@]1(F)CCN(C(C)(C)C)C1 ZINC000847867282 633117486 /nfs/dbraw/zinc/11/74/86/633117486.db2.gz JNXVHWJXSJGREK-CZUORRHYSA-N 0 1 283.387 2.934 20 30 CFEDMN N#CCc1cccc(C(=O)OCc2cc(C3CC3)[nH]n2)c1 ZINC000848014696 633188352 /nfs/dbraw/zinc/18/83/52/633188352.db2.gz FZFIHXMKEBMDHD-UHFFFAOYSA-N 0 1 281.315 2.710 20 30 CFEDMN C=C[C@@H](C)O[N-]C(=O)[C@@H](c1ccc(Cl)cc1)[NH+](C)C ZINC000848244786 633223214 /nfs/dbraw/zinc/22/32/14/633223214.db2.gz DRQPOEUZMKPBEO-ZWNOBZJWSA-N 0 1 282.771 2.565 20 30 CFEDMN C#C[C@H]1CCCN(C(=O)c2cc(-c3ccccc3)[nH]n2)C1 ZINC000848290047 633234553 /nfs/dbraw/zinc/23/45/53/633234553.db2.gz YDVSBUCTXRAQBU-ZDUSSCGKSA-N 0 1 279.343 2.562 20 30 CFEDMN C[C@H](NN=C1CCCN2CCCC[C@@H]12)C(F)(F)F ZINC000848412624 633252469 /nfs/dbraw/zinc/25/24/69/633252469.db2.gz WNEUEIMSOJSVLE-ONGXEEELSA-N 0 1 263.307 2.531 20 30 CFEDMN Fc1ccccc1CNN=C1CCCN2CCCC[C@H]12 ZINC000848411636 633252869 /nfs/dbraw/zinc/25/28/69/633252869.db2.gz ARCCUQZZUKOQFE-MRXNPFEDSA-N 0 1 275.371 2.920 20 30 CFEDMN Cc1ncncc1[C@H](C)NCc1ccc(C#N)cc1 ZINC000848520373 633273787 /nfs/dbraw/zinc/27/37/87/633273787.db2.gz YIMGYWOQVCLHGK-NSHDSACASA-N 0 1 252.321 2.508 20 30 CFEDMN CCC(C)(C)N1CCN(c2snc(Cl)c2C#N)CC1 ZINC000848762021 633337897 /nfs/dbraw/zinc/33/78/97/633337897.db2.gz DQOBKWQYSJVISQ-UHFFFAOYSA-N 0 1 298.843 2.979 20 30 CFEDMN CCC(C)(C)N1CCN(c2nc(Cl)c(C#N)s2)CC1 ZINC000848761489 633338204 /nfs/dbraw/zinc/33/82/04/633338204.db2.gz VBQAWHOCVXBJBR-UHFFFAOYSA-N 0 1 298.843 2.979 20 30 CFEDMN COC(=O)/C=C/c1ccc(CN2CCC(C)(C#N)CC2)o1 ZINC000848901231 633389020 /nfs/dbraw/zinc/38/90/20/633389020.db2.gz PXTAJIJLPHABJZ-AATRIKPKSA-N 0 1 288.347 2.591 20 30 CFEDMN C#C[C@H]1CCC[N@H+](Cc2cc(Cl)cc([N+](=O)[O-])c2[O-])C1 ZINC000848923732 633405991 /nfs/dbraw/zinc/40/59/91/633405991.db2.gz IXYQHHKOPNRWCE-JTQLQIEISA-N 0 1 294.738 2.799 20 30 CFEDMN C#C[C@@H]1CCCN(Cc2cnc(C(C)(C)C)nc2)C1 ZINC000848924775 633407619 /nfs/dbraw/zinc/40/76/19/633407619.db2.gz ZVGHJLBOBKSJCK-CYBMUJFWSA-N 0 1 257.381 2.619 20 30 CFEDMN C#CC[C@@H]1CCC[N@H+](Cc2cc(C(=O)[O-])sc2C)C1 ZINC000849345184 633623146 /nfs/dbraw/zinc/62/31/46/633623146.db2.gz VLVWGCMXIUMOFJ-GFCCVEGCSA-N 0 1 277.389 2.990 20 30 CFEDMN C#CC[C@H]1CCC[N@H+]([C@@H](C(=O)[O-])c2ccc(F)cc2)C1 ZINC000849344416 633623213 /nfs/dbraw/zinc/62/32/13/633623213.db2.gz LMQGBEPEDGTYPU-SWLSCSKDSA-N 0 1 275.323 2.687 20 30 CFEDMN C#CC[C@@H]1CCC[N@H+]([C@H](C(=O)[O-])c2ccccc2C)C1 ZINC000849344559 633623274 /nfs/dbraw/zinc/62/32/74/633623274.db2.gz OQPJUEJQSLRJBJ-ZBFHGGJFSA-N 0 1 271.360 2.856 20 30 CFEDMN C=C(C)C[C@H](C)C(=O)O[C@H](C)c1n[nH]c(CC)n1 ZINC000849756590 633705093 /nfs/dbraw/zinc/70/50/93/633705093.db2.gz BWPKOACJFSGUSJ-VHSXEESVSA-N 0 1 251.330 2.574 20 30 CFEDMN C#CC[C@@H](NCc1cnn2c1CCC2)c1ccccc1 ZINC000850226854 633902513 /nfs/dbraw/zinc/90/25/13/633902513.db2.gz SYSXBDRQGVFGCZ-MRXNPFEDSA-N 0 1 265.360 2.684 20 30 CFEDMN C#Cc1cccc(CNCc2c(C3CC3)cnn2C)c1 ZINC000850321316 633941336 /nfs/dbraw/zinc/94/13/36/633941336.db2.gz KQYVJZBSIROPNH-UHFFFAOYSA-N 0 1 265.360 2.569 20 30 CFEDMN CCCCCCNC(=O)[C@H](C#N)C(=O)[C@H]1CCC1(C)C ZINC000850751586 634079346 /nfs/dbraw/zinc/07/93/46/634079346.db2.gz DNUDEZYUYKZDEH-CHWSQXEVSA-N 0 1 278.396 2.828 20 30 CFEDMN N#CC(C(=O)[C@H]1[C@@H]2CCCCCC[C@@H]21)C(=O)N1CCCC1 ZINC000850752858 634079382 /nfs/dbraw/zinc/07/93/82/634079382.db2.gz UEHDXLIKADJBID-LJISPDSOSA-N 0 1 288.391 2.534 20 30 CFEDMN Cc1cc(C(C#N)C(=O)CCCc2cccnc2)nc(C)n1 ZINC000850754978 634080832 /nfs/dbraw/zinc/08/08/32/634080832.db2.gz BTXLNCORCGWYOG-HNNXBMFYSA-N 0 1 294.358 2.688 20 30 CFEDMN CCCCCCCC[C@H](C)C(=O)C(C#N)C(=O)NC ZINC000850763398 634082697 /nfs/dbraw/zinc/08/26/97/634082697.db2.gz DLMPKBPOAOQKNT-QWHCGFSZSA-N 0 1 266.385 2.828 20 30 CFEDMN CCCCCCCC[C@@H](C)C(=O)C(C#N)C(=O)NC ZINC000850763396 634082570 /nfs/dbraw/zinc/08/25/70/634082570.db2.gz DLMPKBPOAOQKNT-CHWSQXEVSA-N 0 1 266.385 2.828 20 30 CFEDMN CO[C@@H]1CC[C@H](C(=O)[C@H](C#N)c2nc3cccc(C)c3[nH]2)C1 ZINC000850849839 634109933 /nfs/dbraw/zinc/10/99/33/634109933.db2.gz KUXQOZHGJSWJJJ-XQQFMLRXSA-N 0 1 297.358 2.863 20 30 CFEDMN C=CC[C@H](C(=O)O[C@H](C)c1nnc[nH]1)c1ccccc1 ZINC000853226492 634945078 /nfs/dbraw/zinc/94/50/78/634945078.db2.gz XTKLJLOQYLTADJ-YPMHNXCESA-N 0 1 271.320 2.769 20 30 CFEDMN Cc1ncc(C=NNc2cccc(C(F)(F)F)n2)n1C ZINC000853309631 634964858 /nfs/dbraw/zinc/96/48/58/634964858.db2.gz FLYJXZPIGADTBN-UHFFFAOYSA-N 0 1 283.257 2.588 20 30 CFEDMN CC(C)(C)CCNN=C1C(=O)Nc2cc(O)c(Cl)cc21 ZINC000853332444 634972153 /nfs/dbraw/zinc/97/21/53/634972153.db2.gz IGZDWFZNDPUPJP-UHFFFAOYSA-N 0 1 295.770 2.728 20 30 CFEDMN COc1ccc(N=NCc2c(C3CCC3)cnn2C)nc1 ZINC000853336222 634974745 /nfs/dbraw/zinc/97/47/45/634974745.db2.gz SGBGTGVINVLUPL-UHFFFAOYSA-N 0 1 285.351 2.537 20 30 CFEDMN C=CC1CCN(C[C@H](O)c2c(F)cccc2F)CC1 ZINC000111259991 634983653 /nfs/dbraw/zinc/98/36/53/634983653.db2.gz IHLQGQGGDPWRBX-AWEZNQCLSA-N 0 1 267.319 2.896 20 30 CFEDMN CC[C@@H]1CN(CCCOc2ccc(C#N)cc2)C[C@H](C)O1 ZINC000111273042 634984486 /nfs/dbraw/zinc/98/44/86/634984486.db2.gz BCHAWXCHDLSQKL-GOEBONIOSA-N 0 1 288.391 2.826 20 30 CFEDMN C[C@H]1C[C@@H]1c1ccc(CN=Nc2ccncc2F)o1 ZINC000853402407 634995161 /nfs/dbraw/zinc/99/51/61/634995161.db2.gz YIWUXHLOOMSUFA-ONGXEEELSA-N 0 1 259.284 2.805 20 30 CFEDMN C[C@@H]1C[C@@H]1c1ccc(CN=Nc2ccncc2F)o1 ZINC000853402404 634995394 /nfs/dbraw/zinc/99/53/94/634995394.db2.gz YIWUXHLOOMSUFA-KOLCDFICSA-N 0 1 259.284 2.805 20 30 CFEDMN CC(=NNc1ccncc1F)c1cnn(C2CCCC2)c1 ZINC000853402377 634995574 /nfs/dbraw/zinc/99/55/74/634995574.db2.gz XPYHFCPRPBJFCZ-UHFFFAOYSA-N 0 1 287.342 2.790 20 30 CFEDMN C=CC[C@@H]1CCCN(CN2C(=O)[C@H](C3CC3)[C@H]2C2CC2)C1 ZINC000853536636 635031862 /nfs/dbraw/zinc/03/18/62/635031862.db2.gz GXZZZPCHRKOZTE-KBRIMQKVSA-N 0 1 288.435 2.879 20 30 CFEDMN C=CC[C@@H]1CCCN(CN2CC3(CCCC3)OC2=O)C1 ZINC000853537038 635032092 /nfs/dbraw/zinc/03/20/92/635032092.db2.gz NGFWQVXDXXZYBI-CQSZACIVSA-N 0 1 278.396 2.997 20 30 CFEDMN C=C1C[C@H]2CC[C@@H](C1)N2Cn1c2ccccc2oc1=O ZINC000853599312 635045860 /nfs/dbraw/zinc/04/58/60/635045860.db2.gz NYCCIWUHMFACCP-BETUJISGSA-N 0 1 270.332 2.735 20 30 CFEDMN C=C1C[C@H]2CC[C@@H](C1)N2CN1C(=O)[C@H]2CCCCC[C@@H]21 ZINC000853598113 635046483 /nfs/dbraw/zinc/04/64/83/635046483.db2.gz LDJWJKFQSRLHEH-FZKCQIBNSA-N 0 1 274.408 2.918 20 30 CFEDMN C=C(Cl)CON=C(N)CN1[C@H](C)CCC[C@@H]1C ZINC000853699549 635079548 /nfs/dbraw/zinc/07/95/48/635079548.db2.gz IAHYXYBWUMAVIT-PHIMTYICSA-N 0 1 259.781 2.500 20 30 CFEDMN CCCCCCN(C)CC(=O)N1CCc2cc(C#N)ccc21 ZINC000854943271 635426560 /nfs/dbraw/zinc/42/65/60/635426560.db2.gz GRNXMLXLIDEJPF-UHFFFAOYSA-N 0 1 299.418 2.959 20 30 CFEDMN C=CCCONC(=O)[C@H]1CCSc2ccccc21 ZINC000856032686 635708160 /nfs/dbraw/zinc/70/81/60/635708160.db2.gz SLPZRRUMJQHVAO-LBPRGKRZSA-N 0 1 263.362 2.890 20 30 CFEDMN C=CCCONC(=O)[C@H]1CCc2c1cccc2Cl ZINC000856034069 635708690 /nfs/dbraw/zinc/70/86/90/635708690.db2.gz FOLLWURYRBTJII-LBPRGKRZSA-N 0 1 265.740 2.994 20 30 CFEDMN CCCCCCCN1Cc2ccccc2C[C@H]1C(N)=O ZINC000157346901 650215423 /nfs/dbraw/zinc/21/54/23/650215423.db2.gz RRXWYLMWXYFXEQ-INIZCTEOSA-N 0 1 274.408 2.869 20 30 CFEDMN Cc1cc(C=NNc2ncnc(Cl)c2C(C)C)on1 ZINC000857210098 635947252 /nfs/dbraw/zinc/94/72/52/635947252.db2.gz UQOMAONZKWQDMM-UHFFFAOYSA-N 0 1 279.731 2.996 20 30 CFEDMN N#Cc1ccc([C@H](O)CN2CC(Cc3ccsc3)C2)cc1 ZINC000857212294 635947847 /nfs/dbraw/zinc/94/78/47/635947847.db2.gz JKANXRKQNUYYLQ-QGZVFWFLSA-N 0 1 298.411 2.828 20 30 CFEDMN CCCCCCCCCC(=O)N1CCNC[C@@H]1C ZINC000115064261 635964144 /nfs/dbraw/zinc/96/41/44/635964144.db2.gz DCJDQYMUDKUZBK-AWEZNQCLSA-N 0 1 254.418 2.947 20 30 CFEDMN CCCCCCCCC(=O)N1C[C@@H](C)N[C@H](C)C1 ZINC000115064376 635964262 /nfs/dbraw/zinc/96/42/62/635964262.db2.gz SFMZBTCKEKOOFD-ZIAGYGMSSA-N 0 1 254.418 2.946 20 30 CFEDMN C#CC[C@H](CCOC)NCc1csc(C2CC2)n1 ZINC000858334070 636194511 /nfs/dbraw/zinc/19/45/11/636194511.db2.gz RHTCAMKSBAHXCD-GFCCVEGCSA-N 0 1 264.394 2.539 20 30 CFEDMN C=CCN(CC(=O)N(CCC)CC(F)(F)F)C(C)C ZINC000859082439 636446011 /nfs/dbraw/zinc/44/60/11/636446011.db2.gz ZXJDBJBQVAWXNI-UHFFFAOYSA-N 0 1 280.334 2.684 20 30 CFEDMN CCN(CCC1CN(C(=O)OC(C)(C)C)C1)C[C@H](C)C#N ZINC000859106040 636456178 /nfs/dbraw/zinc/45/61/78/636456178.db2.gz RJUDRIWOWFZVEI-CYBMUJFWSA-N 0 1 295.427 2.725 20 30 CFEDMN C=C(Br)CSc1nc(-c2ccccn2)n[nH]1 ZINC000117115543 636755529 /nfs/dbraw/zinc/75/55/29/636755529.db2.gz RLTQCYMZZQUHIV-UHFFFAOYSA-N 0 1 297.181 2.867 20 30 CFEDMN CCCCCNC(=O)C(C#N)C(=O)C[C@H](C)CCC ZINC000194581952 636790456 /nfs/dbraw/zinc/79/04/56/636790456.db2.gz WLCZOPLVQZZFRK-OLZOCXBDSA-N 0 1 266.385 2.828 20 30 CFEDMN CC(C)NC(=O)[C@@H](C#N)C(=O)CC(C1CCC1)C1CCC1 ZINC000860472286 636892731 /nfs/dbraw/zinc/89/27/31/636892731.db2.gz GYKYZDBIWCGLRI-HNNXBMFYSA-N 0 1 290.407 2.826 20 30 CFEDMN Cc1ccnn1CC(=O)C(C#N)c1nc(C(C)C)cs1 ZINC000860582514 636918078 /nfs/dbraw/zinc/91/80/78/636918078.db2.gz XTNMGBAFOHJUGD-NSHDSACASA-N 0 1 288.376 2.648 20 30 CFEDMN C#CCONC(=O)[C@@H](CC)c1ccc(Br)cc1 ZINC000862183770 637285599 /nfs/dbraw/zinc/28/55/99/637285599.db2.gz LASJIFWCVLFLRN-LBPRGKRZSA-N 0 1 296.164 2.624 20 30 CFEDMN CC(C)(C(=O)NOCC1CCC1)c1ccc(C#N)cc1 ZINC000862232661 637293106 /nfs/dbraw/zinc/29/31/06/637293106.db2.gz GIGLFFFDCCSBTG-UHFFFAOYSA-N 0 1 272.348 2.684 20 30 CFEDMN CCCCCCCNC(=O)c1cnccc1N(C)C ZINC000862357910 637331653 /nfs/dbraw/zinc/33/16/53/637331653.db2.gz MLJYQTYSOQGIAY-UHFFFAOYSA-N 0 1 263.385 2.848 20 30 CFEDMN C#C[C@@H](NCc1ccc(F)c(F)c1N(C)C)C(C)C ZINC000862363769 637336214 /nfs/dbraw/zinc/33/62/14/637336214.db2.gz UEXXEGBGKOIMSD-CYBMUJFWSA-N 0 1 266.335 2.778 20 30 CFEDMN C#CC[C@@H]1CCN(Cc2occc2Br)C1 ZINC000862444661 637384943 /nfs/dbraw/zinc/38/49/43/637384943.db2.gz FJFOEAULHGMUNL-SNVBAGLBSA-N 0 1 268.154 2.887 20 30 CFEDMN C#CC[C@@H]1CCN(Cc2cn3cc(Cl)ccc3n2)C1 ZINC000862444757 637385360 /nfs/dbraw/zinc/38/53/60/637385360.db2.gz GSNFEZFNRHQDFR-GFCCVEGCSA-N 0 1 273.767 2.833 20 30 CFEDMN COc1cc(C=NNCCN2CCCCC2)ccc1Cl ZINC000863080499 637551383 /nfs/dbraw/zinc/55/13/83/637551383.db2.gz CRHATLDEGRRSDL-UHFFFAOYSA-N 0 1 295.814 2.758 20 30 CFEDMN CC(=NNc1ccncc1C)c1ccc(C)nc1C ZINC000863157897 637571201 /nfs/dbraw/zinc/57/12/01/637571201.db2.gz KFCZXBYGIVLJFP-UHFFFAOYSA-N 0 1 254.337 2.660 20 30 CFEDMN COc1cc(CN=Nc2cccc(C)n2)cc2c1OCCO2 ZINC000863161591 637575298 /nfs/dbraw/zinc/57/52/98/637575298.db2.gz HCMWZWSADJAZSU-UHFFFAOYSA-N 0 1 299.330 2.616 20 30 CFEDMN C=C1C[C@H]2CC[C@@H](C1)N2CN1Cc2cc(OC)ccc2C1=O ZINC000863269467 637610881 /nfs/dbraw/zinc/61/08/81/637610881.db2.gz DODPTTQHWWHHCE-GASCZTMLSA-N 0 1 298.386 2.792 20 30 CFEDMN CCCCCCCN[C@H](C(N)=O)c1ccc(F)cc1 ZINC000863375953 637645099 /nfs/dbraw/zinc/64/50/99/637645099.db2.gz JSUHFUAASAEYOJ-AWEZNQCLSA-N 0 1 266.360 2.912 20 30 CFEDMN C#CCN1CCC(C(=O)N2CCC[C@@H](C/C=C\C)C2)CC1 ZINC000863815648 637788578 /nfs/dbraw/zinc/78/85/78/637788578.db2.gz ZHXFDFSEARHNTG-OICCZTGUSA-N 0 1 288.435 2.536 20 30 CFEDMN C#CCN(Cc1ccc(C(=O)OC)s1)C1CCCC1 ZINC000119970047 637944798 /nfs/dbraw/zinc/94/47/98/637944798.db2.gz QRZIWZGNTUFHIX-UHFFFAOYSA-N 0 1 277.389 2.913 20 30 CFEDMN C#CCCCCC(=O)NCc1nc2cccc(C)c2[nH]1 ZINC000120069972 637992322 /nfs/dbraw/zinc/99/23/22/637992322.db2.gz LCXKJYMHRRKEFT-UHFFFAOYSA-N 0 1 269.348 2.681 20 30 CFEDMN C=C(C)CN(CC)C(=O)c1c(Cl)[nH]nc1C1CC1 ZINC000864831971 638104683 /nfs/dbraw/zinc/10/46/83/638104683.db2.gz AHCGKOUYTVWHCY-UHFFFAOYSA-N 0 1 267.760 2.979 20 30 CFEDMN CCC[C@@H](C)C(=O)C(C#N)C(=O)NC1CCCCC1 ZINC000076826832 650406290 /nfs/dbraw/zinc/40/62/90/650406290.db2.gz WZCRYDKTSNBEEM-DGCLKSJQSA-N 0 1 264.369 2.580 20 30 CFEDMN CCC[C@H](C)C(=O)C(C#N)C(=O)NC1CCCCC1 ZINC000076826848 650406321 /nfs/dbraw/zinc/40/63/21/650406321.db2.gz WZCRYDKTSNBEEM-AAEUAGOBSA-N 0 1 264.369 2.580 20 30 CFEDMN C=CCSCCNCc1cccnc1Br ZINC000865450587 638343345 /nfs/dbraw/zinc/34/33/45/638343345.db2.gz RKIBNEHYEFJKNH-UHFFFAOYSA-N 0 1 287.226 2.853 20 30 CFEDMN C#Cc1cccc(CNCc2ccnn2CC2CCC2)c1 ZINC000865593655 638447193 /nfs/dbraw/zinc/44/71/93/638447193.db2.gz NNNYRNPVUJTPIU-UHFFFAOYSA-N 0 1 279.387 2.954 20 30 CFEDMN C=C(CC)CNCc1cc(Br)cnc1OC ZINC000865593416 638447475 /nfs/dbraw/zinc/44/74/75/638447475.db2.gz LUJUDMCQLHREPN-UHFFFAOYSA-N 0 1 285.185 2.909 20 30 CFEDMN C#CCOc1ccc(NC(=O)c2[nH]cnc2C(C)(C)C)cc1 ZINC000865602018 638452097 /nfs/dbraw/zinc/45/20/97/638452097.db2.gz LFCSWLNKJQEAGA-UHFFFAOYSA-N 0 1 297.358 2.972 20 30 CFEDMN CC(C)(NCc1ccccc1C#N)[C@@H]1CCCCO1 ZINC000865745429 638548418 /nfs/dbraw/zinc/54/84/18/638548418.db2.gz HUULWAHULLHMOK-HNNXBMFYSA-N 0 1 258.365 2.996 20 30 CFEDMN C[C@H]([NH2+]C1CC(N2CCCCC2)C1)c1cccc(C#N)c1[O-] ZINC000866352435 638802572 /nfs/dbraw/zinc/80/25/72/638802572.db2.gz WQJHLYICEGPFKP-JEYLPNPQSA-N 0 1 299.418 2.931 20 30 CFEDMN Cn1cc(C(F)F)c(CN[C@@H]2CCC[C@@H](C#N)C2)n1 ZINC000866565743 638846783 /nfs/dbraw/zinc/84/67/83/638846783.db2.gz QCWUWUIQYOBDST-NXEZZACHSA-N 0 1 268.311 2.530 20 30 CFEDMN C[C@H](N[C@H]1Cc2ccc(C#N)cc2C1)c1cscn1 ZINC000866618088 638856219 /nfs/dbraw/zinc/85/62/19/638856219.db2.gz VMUJIJPJBDYGAT-HZMBPMFUSA-N 0 1 269.373 2.833 20 30 CFEDMN C=CCCN(C)C(=O)c1c(Cl)[nH]nc1C1CC1 ZINC000867684990 638892149 /nfs/dbraw/zinc/89/21/49/638892149.db2.gz XTAAOXNUIDWQDW-UHFFFAOYSA-N 0 1 253.733 2.589 20 30 CFEDMN C[C@H](CNC(=O)[C@H]1NCCc2cc(C#N)ccc21)C(C)(C)C ZINC000867953518 638908554 /nfs/dbraw/zinc/90/85/54/638908554.db2.gz YQHBUZXFLDSXDN-WBMJQRKESA-N 0 1 299.418 2.543 20 30 CFEDMN C=C(C)CONC(=O)[C@H]1Cc2ccc(Cl)cc21 ZINC000869153843 639051255 /nfs/dbraw/zinc/05/12/55/639051255.db2.gz XMGLZMQAVXLLQA-LBPRGKRZSA-N 0 1 251.713 2.604 20 30 CFEDMN Cn1ncc(Cl)c1/C=C/C(=O)c1cc(F)ccc1O ZINC000122697290 639339645 /nfs/dbraw/zinc/33/96/45/639339645.db2.gz WUCGFCPIKNGOMI-HWKANZROSA-N 0 1 280.686 2.814 20 30 CFEDMN CC[C@H](CC(=O)[C@@H](C#N)C(=O)NC(C)C)C(C)(C)C ZINC000870145850 639528489 /nfs/dbraw/zinc/52/84/89/639528489.db2.gz RHQMEPUUAPGCLL-VXGBXAGGSA-N 0 1 266.385 2.682 20 30 CFEDMN C#CCN(C)Cc1ccc(C(=O)OC(C)(C)C)cc1 ZINC000192229127 650549820 /nfs/dbraw/zinc/54/98/20/650549820.db2.gz FAYQOLIEEJYWGX-UHFFFAOYSA-N 0 1 259.349 2.707 20 30 CFEDMN N#Cc1ccc2nc(NC(=O)CC3CCCC3)[nH]c2c1 ZINC000871071501 641184648 /nfs/dbraw/zinc/18/46/48/641184648.db2.gz XREHAACCGVSWAK-UHFFFAOYSA-N 0 1 268.320 2.953 20 30 CFEDMN CC(C)CCC(=O)Nc1nc2ccc(C#N)cc2[nH]1 ZINC000871070328 641184812 /nfs/dbraw/zinc/18/48/12/641184812.db2.gz JZQPSZUWPOYYJL-UHFFFAOYSA-N 0 1 256.309 2.809 20 30 CFEDMN CC[C@H]1C[C@H](C(=O)Nc2nc3ccc(C#N)cc3[nH]2)CCO1 ZINC000871072150 641186060 /nfs/dbraw/zinc/18/60/60/641186060.db2.gz IIWPPSWSYVLAAT-NEPJUHHUSA-N 0 1 298.346 2.578 20 30 CFEDMN C[C@@H](CC(=O)Nc1nc2ccc(C#N)cc2[nH]1)[C@H]1CCCO1 ZINC000871072677 641186161 /nfs/dbraw/zinc/18/61/61/641186161.db2.gz NQCNEGGKYKDDAI-IINYFYTJSA-N 0 1 298.346 2.578 20 30 CFEDMN C=C(C)[C@H](CC(=O)Nc1nc2ccc(C#N)cc2[nH]1)OCC ZINC000871073000 641186727 /nfs/dbraw/zinc/18/67/27/641186727.db2.gz QDYDDXOZIYKTJM-AWEZNQCLSA-N 0 1 298.346 2.744 20 30 CFEDMN N#Cc1ccc2nc(NC(=O)[C@H]3[C@@H]4CCCC[C@@H]43)[nH]c2c1 ZINC000871072429 641186781 /nfs/dbraw/zinc/18/67/81/641186781.db2.gz LMTMYPWFWLLRHJ-YABSGUDNSA-N 0 1 280.331 2.809 20 30 CFEDMN N#Cc1ccc2nc(NC(=O)[C@@H]3CC34CCC4)[nH]c2c1 ZINC000871073336 641187717 /nfs/dbraw/zinc/18/77/17/641187717.db2.gz YEQGVCPWGOMWCQ-JTQLQIEISA-N 0 1 266.304 2.563 20 30 CFEDMN C[C@@H](C(=O)Nc1nc2ccc(C#N)cc2[nH]1)C(C)(F)F ZINC000871073357 641188535 /nfs/dbraw/zinc/18/85/35/641188535.db2.gz YYFGDYMPCDRWCL-ZETCQYMHSA-N 0 1 278.262 2.664 20 30 CFEDMN C#CCC(C)(C)C(=O)N[C@@H]1CCN(Cc2ccc(C)cc2)C1 ZINC000871187432 641235797 /nfs/dbraw/zinc/23/57/97/641235797.db2.gz FDFXLYIBFSTKLO-QGZVFWFLSA-N 0 1 298.430 2.735 20 30 CFEDMN C[C@H](C#N)Oc1ccc(CN2CCC(C#N)CC2)cc1 ZINC000123699551 641361682 /nfs/dbraw/zinc/36/16/82/641361682.db2.gz JGYDLHPWBGRNHD-CYBMUJFWSA-N 0 1 269.348 2.713 20 30 CFEDMN CCCCCNC(=O)[C@H](C#N)C(=O)C1C(C)(C)C1(C)C ZINC000080254831 650654802 /nfs/dbraw/zinc/65/48/02/650654802.db2.gz ZVZYUOSDILLEBD-LLVKDONJSA-N 0 1 278.396 2.684 20 30 CFEDMN CC[C@H](NC[C@@H](O)c1ccc(C#N)cc1)c1nccs1 ZINC000080304389 650661590 /nfs/dbraw/zinc/66/15/90/650661590.db2.gz CKAYIAKWICQGOF-UONOGXRCSA-N 0 1 287.388 2.789 20 30 CFEDMN C=CC(C)(C)CCCN[C@H](C(N)=O)c1ccc(F)cc1 ZINC000871930440 641514928 /nfs/dbraw/zinc/51/49/28/641514928.db2.gz NUOUKCHFIGSDTN-AWEZNQCLSA-N 0 1 278.371 2.934 20 30 CFEDMN N#Cc1cc(Cl)nc(N2N=C3CCCCC[C@H]3C2=O)c1 ZINC000871954409 641527095 /nfs/dbraw/zinc/52/70/95/641527095.db2.gz JWEYUEBLAZSNIK-SNVBAGLBSA-N 0 1 288.738 2.890 20 30 CFEDMN C=CC[C@@H](CO)CN[C@@H](C)c1c(F)cccc1[N+](=O)[O-] ZINC000872054599 641589188 /nfs/dbraw/zinc/58/91/88/641589188.db2.gz ZMSPTQPUUUTYEK-WDEREUQCSA-N 0 1 282.315 2.569 20 30 CFEDMN C=CCC[C@@H](CO)N[C@H](C)c1c(F)cccc1[N+](=O)[O-] ZINC000872079169 641611952 /nfs/dbraw/zinc/61/19/52/641611952.db2.gz VUMSOEQAOLIFIY-MNOVXSKESA-N 0 1 282.315 2.712 20 30 CFEDMN CCO[C@@H](C)C(=O)C(C#N)c1nc(C(C)C)cs1 ZINC000080459624 650675769 /nfs/dbraw/zinc/67/57/69/650675769.db2.gz PLVASNGPVOMTSU-UWVGGRQHSA-N 0 1 266.366 2.868 20 30 CFEDMN C[C@@H]1C(N=Nc2ccc(C(F)(F)F)cn2)CCN1C ZINC000872327814 641757230 /nfs/dbraw/zinc/75/72/30/641757230.db2.gz KXSVMRPIKHZYDJ-MRVPVSSYSA-N 0 1 272.274 2.592 20 30 CFEDMN C(=NNCCN1CCCCC1)C1([C@H]2CCCCO2)CCC1 ZINC000872344693 641761294 /nfs/dbraw/zinc/76/12/94/641761294.db2.gz VNHCGZFWUYXFQM-MRXNPFEDSA-N 0 1 293.455 2.787 20 30 CFEDMN CCCC(=NNC1=N[C@@H]2CCCC[C@@H]2N1)c1cc(C)ccn1 ZINC000872359674 641766758 /nfs/dbraw/zinc/76/67/58/641766758.db2.gz LTPDGRIHMTYIAA-OKILXGFUSA-N 0 1 299.422 2.754 20 30 CFEDMN COc1ccc(CN=Nc2cnnn2C)cc1C(C)(C)C ZINC000872378709 641782050 /nfs/dbraw/zinc/78/20/50/641782050.db2.gz GPZCLIUXCDHWEB-UHFFFAOYSA-N 0 1 287.367 2.567 20 30 CFEDMN CCOC(CCNCc1cccc(F)c1C#N)OCC ZINC000873112430 642014803 /nfs/dbraw/zinc/01/48/03/642014803.db2.gz BXOMITUNYSTCIJ-UHFFFAOYSA-N 0 1 280.343 2.576 20 30 CFEDMN N#Cc1c(F)cccc1CN[C@@H](CCO)Cc1ccccc1 ZINC000873122596 642018720 /nfs/dbraw/zinc/01/87/20/642018720.db2.gz UKSMALXGMOLXLG-INIZCTEOSA-N 0 1 298.361 2.781 20 30 CFEDMN N#Cc1ccc(C2(C(=O)OCCN3CCC3)CCCC2)cc1 ZINC000873550876 642245122 /nfs/dbraw/zinc/24/51/22/642245122.db2.gz FKBZYUJKJVWRCK-UHFFFAOYSA-N 0 1 298.386 2.619 20 30 CFEDMN COc1ccc(CNCc2cc(C#N)ccc2F)cc1 ZINC000020045949 642291695 /nfs/dbraw/zinc/29/16/95/642291695.db2.gz BZGZIJGSCAFNFS-UHFFFAOYSA-N 0 1 270.307 2.996 20 30 CFEDMN Cc1ccc(C(=O)C(C#N)c2nc3ccccc3[nH]2)nc1 ZINC000125910733 642848927 /nfs/dbraw/zinc/84/89/27/642848927.db2.gz BLBUUNXRRUTVCJ-NSHDSACASA-N 0 1 276.299 2.756 20 30 CFEDMN C=CCN(Cc1ccc(C(=O)OCC)[nH]1)C(C)C ZINC000876600066 642941137 /nfs/dbraw/zinc/94/11/37/642941137.db2.gz MTHGOTDKAGISIY-UHFFFAOYSA-N 0 1 250.342 2.588 20 30 CFEDMN Cn1c(CN2CCC(C#N)CC2)cc2ccccc21 ZINC000876653790 642959792 /nfs/dbraw/zinc/95/97/92/642959792.db2.gz SAUPSORHWDWZRU-UHFFFAOYSA-N 0 1 253.349 2.914 20 30 CFEDMN C#CCCCCCCN(CC(N)=O)Cc1ccccc1 ZINC000876727301 642984493 /nfs/dbraw/zinc/98/44/93/642984493.db2.gz IKOLEUQXEGAGQL-UHFFFAOYSA-N 0 1 272.392 2.558 20 30 CFEDMN N#Cc1cnc(Cl)c(C[N@H+]2CC[C@H](C3CC3)C2)c1 ZINC000876780473 643005204 /nfs/dbraw/zinc/00/52/04/643005204.db2.gz GSCSSCMNWVDQTH-LBPRGKRZSA-N 0 1 261.756 2.839 20 30 CFEDMN N#Cc1cnc(Cl)c(CN2CC[C@H](C3CC3)C2)c1 ZINC000876780473 643005210 /nfs/dbraw/zinc/00/52/10/643005210.db2.gz GSCSSCMNWVDQTH-LBPRGKRZSA-N 0 1 261.756 2.839 20 30 CFEDMN CC(C)NC(=O)C(C#N)C(=O)[C@H]1CC[C@H](C(C)C)CC1 ZINC000245546537 650822189 /nfs/dbraw/zinc/82/21/89/650822189.db2.gz NAWWDILCVIIDRY-MGPQQGTHSA-N 0 1 278.396 2.682 20 30 CFEDMN C=CC(C)(C)CCCNC(=O)[C@H](N)c1ccccc1 ZINC000877303808 643227655 /nfs/dbraw/zinc/22/76/55/643227655.db2.gz NCZHNEQJMIETSN-CQSZACIVSA-N 0 1 260.381 2.795 20 30 CFEDMN C[C@@]1(NCc2cc(C#N)cnc2Cl)CCO[C@@H]1C1CC1 ZINC000877317032 643235257 /nfs/dbraw/zinc/23/52/57/643235257.db2.gz UQZRIKMLCROQAB-UKRRQHHQSA-N 0 1 291.782 2.654 20 30 CFEDMN CCOC[C@H](NCc1cc(C#N)cnc1Cl)C(C)C ZINC000877468763 643288065 /nfs/dbraw/zinc/28/80/65/643288065.db2.gz MEWUGBRUKHJYMY-ZDUSSCGKSA-N 0 1 281.787 2.757 20 30 CFEDMN N#Cc1cnc(Cl)c(CN[C@@H]2Cc3cccc(O)c3C2)c1 ZINC000877477090 643294962 /nfs/dbraw/zinc/29/49/62/643294962.db2.gz XAYVMEKMXXTDGU-CYBMUJFWSA-N 0 1 299.761 2.569 20 30 CFEDMN C#CCCCCCCNCc1nnc(CC)s1 ZINC000877542039 643343826 /nfs/dbraw/zinc/34/38/26/643343826.db2.gz LKLGOGBQDDEEOH-UHFFFAOYSA-N 0 1 251.399 2.774 20 30 CFEDMN C#C[C@@H](N[C@@H](C)Cc1cnccn1)c1ccc(F)cc1 ZINC000877544542 643346162 /nfs/dbraw/zinc/34/61/62/643346162.db2.gz QTDCYPRMCISMQX-BLLLJJGKSA-N 0 1 269.323 2.511 20 30 CFEDMN C#C[C@H]1CCCN(Cc2ccnn2CC2CCC2)C1 ZINC000877616553 643401917 /nfs/dbraw/zinc/40/19/17/643401917.db2.gz DTPGIXCJSUSPSB-AWEZNQCLSA-N 0 1 257.381 2.528 20 30 CFEDMN CCOP(=O)(CCCN1CC[C@](C)(C#N)C1)OCC ZINC000877637402 643421553 /nfs/dbraw/zinc/42/15/53/643421553.db2.gz UILBVQKDKGWZKF-CYBMUJFWSA-N 0 1 288.328 2.878 20 30 CFEDMN Cc1csc([C@@H]2CCN(Cc3ccc(C#N)o3)C2)n1 ZINC000877813297 643578332 /nfs/dbraw/zinc/57/83/32/643578332.db2.gz KNXRLHIBZLRRLO-LLVKDONJSA-N 0 1 273.361 2.906 20 30 CFEDMN CC(=O)[C@](C#N)(CCN1CCCCC1)c1ccccc1 ZINC000877944824 643657425 /nfs/dbraw/zinc/65/74/25/643657425.db2.gz HZZNUEOETBDLGJ-QGZVFWFLSA-N 0 1 270.376 2.913 20 30 CFEDMN C#CCCCCCN1CCN(Cc2nc(C)c(C)o2)CC1 ZINC000878058662 643716799 /nfs/dbraw/zinc/71/67/99/643716799.db2.gz BYTBYBCUJRSYFY-UHFFFAOYSA-N 0 1 289.423 2.603 20 30 CFEDMN C=CC(C)(C)CC(=O)NCCN1CCc2ccccc2C1 ZINC000878134117 643754288 /nfs/dbraw/zinc/75/42/88/643754288.db2.gz PSZUCQSRARXUJC-UHFFFAOYSA-N 0 1 286.419 2.763 20 30 CFEDMN C=CCN(C[C@H](C)CC(C)(C)C)[C@H]1CCS(=O)(=O)C1 ZINC000878241293 643804786 /nfs/dbraw/zinc/80/47/86/643804786.db2.gz DKVVHHKHUPYYBQ-KGLIPLIRSA-N 0 1 287.469 2.734 20 30 CFEDMN C=CC[C@@H](C)[N@H+](C)CC(=O)Nc1cc(OC)cc(OC)c1 ZINC000878265609 643813951 /nfs/dbraw/zinc/81/39/51/643813951.db2.gz RBSZQHPDACMVPY-GFCCVEGCSA-N 0 1 292.379 2.539 20 30 CFEDMN C=CC[C@@H](C)N(C)CC(=O)Nc1cc(OC)cc(OC)c1 ZINC000878265609 643813954 /nfs/dbraw/zinc/81/39/54/643813954.db2.gz RBSZQHPDACMVPY-GFCCVEGCSA-N 0 1 292.379 2.539 20 30 CFEDMN C#CCCCCC[N@H+]1CCN(CC(F)F)[C@H](CC)C1 ZINC000878330188 643843725 /nfs/dbraw/zinc/84/37/25/643843725.db2.gz CVSFVLRHQCWURL-CQSZACIVSA-N 0 1 272.383 2.841 20 30 CFEDMN Cc1ccc(N2CCN(CC3(CC#N)CC3)CC2)cc1 ZINC000878403413 643875630 /nfs/dbraw/zinc/87/56/30/643875630.db2.gz AQRJGKMXXCOCTF-UHFFFAOYSA-N 0 1 269.392 2.811 20 30 CFEDMN C=C(C)CN1CCC[C@H](NC(=O)c2ccoc2CC)C1 ZINC001007244030 650873761 /nfs/dbraw/zinc/87/37/61/650873761.db2.gz UHCUFRDPKWJIRT-ZDUSSCGKSA-N 0 1 276.380 2.612 20 30 CFEDMN C#CCCCCCN([C@@H](C)C(=O)OC)C1CCC1 ZINC000878502026 643919114 /nfs/dbraw/zinc/91/91/14/643919114.db2.gz YKPKITUMTRHKBG-ZDUSSCGKSA-N 0 1 251.370 2.596 20 30 CFEDMN C#C[C@H](C)[N@@H+](C)C[C@H](O)c1ccc(Cl)c(Cl)c1 ZINC000878517662 643924141 /nfs/dbraw/zinc/92/41/41/643924141.db2.gz UBXYEDSJVBFCPX-ZANVPECISA-N 0 1 272.175 2.980 20 30 CFEDMN C#C[C@H](C)N(C)C[C@H](O)c1ccc(Cl)c(Cl)c1 ZINC000878517662 643924143 /nfs/dbraw/zinc/92/41/43/643924143.db2.gz UBXYEDSJVBFCPX-ZANVPECISA-N 0 1 272.175 2.980 20 30 CFEDMN C#CCN(Cc1ccccc1)C[C@@H]1CCC2(CCOCC2)O1 ZINC000878612865 643957234 /nfs/dbraw/zinc/95/72/34/643957234.db2.gz BGHINRYPOSWHSS-SFHVURJKSA-N 0 1 299.414 2.850 20 30 CFEDMN COC(=O)C1(C#N)CCN(CCCSC(C)(C)C)CC1 ZINC000878677049 643988435 /nfs/dbraw/zinc/98/84/35/643988435.db2.gz AWMXXJUDAYZDDS-UHFFFAOYSA-N 0 1 298.452 2.687 20 30 CFEDMN CC(=O)Nc1cccc2c1C[N@@H+](CCCCC#N)CC2 ZINC000879235525 644184412 /nfs/dbraw/zinc/18/44/12/644184412.db2.gz OVARMSJWUXGYAH-UHFFFAOYSA-N 0 1 271.364 2.697 20 30 CFEDMN C=C(Cl)CN1CCC[C@H]1[C@H](O)c1ccccc1 ZINC000879241269 644187594 /nfs/dbraw/zinc/18/75/94/644187594.db2.gz LIVOFNVMPNHSFF-UONOGXRCSA-N 0 1 251.757 2.937 20 30 CFEDMN C=C(Cl)CN1CCC[C@H]1[C@@H](O)c1ccccc1 ZINC000879241267 644187749 /nfs/dbraw/zinc/18/77/49/644187749.db2.gz LIVOFNVMPNHSFF-KBPBESRZSA-N 0 1 251.757 2.937 20 30 CFEDMN CN(CC[C@H](O)c1ccccc1)[C@@H]1CCC[C@@H]1C#N ZINC000879308564 644216624 /nfs/dbraw/zinc/21/66/24/644216624.db2.gz CRSMHUVYUCEKJL-OAGGEKHMSA-N 0 1 258.365 2.734 20 30 CFEDMN CN(CC[C@H](O)c1ccccc1)[C@H]1CCC[C@@H]1C#N ZINC000879308566 644217525 /nfs/dbraw/zinc/21/75/25/644217525.db2.gz CRSMHUVYUCEKJL-PMPSAXMXSA-N 0 1 258.365 2.734 20 30 CFEDMN N#Cc1ccc(F)cc1CN1CC[C@@H]2CSC[C@@H]2C1 ZINC000879559833 644319813 /nfs/dbraw/zinc/31/98/13/644319813.db2.gz PSJGBNMCDVAJKP-OCCSQVGLSA-N 0 1 276.380 2.882 20 30 CFEDMN CC#CCC[N@H+]1CCC[C@@H]2[C@@H]1CCN2C(=O)OC(C)(C)C ZINC000879756000 644412832 /nfs/dbraw/zinc/41/28/32/644412832.db2.gz YHFWEQDPJFFHTK-LSDHHAIUSA-N 0 1 292.423 2.874 20 30 CFEDMN C=CC[C@H](CC)NC(=O)[C@@H]1c2cn[nH]c2CC[C@@H]1C ZINC000879856877 644448131 /nfs/dbraw/zinc/44/81/31/644448131.db2.gz VGDRONOCXOYYII-MJVIPROJSA-N 0 1 261.369 2.547 20 30 CFEDMN C=CC[C@H](CC)NC(=O)[C@H]1c2cn[nH]c2CC[C@@H]1C ZINC000879856876 644448566 /nfs/dbraw/zinc/44/85/66/644448566.db2.gz VGDRONOCXOYYII-COPLHBTASA-N 0 1 261.369 2.547 20 30 CFEDMN CC(=O)Nc1ccc2c(c1)CN([C@@H](C)CCC#N)CC2 ZINC000880030694 644507805 /nfs/dbraw/zinc/50/78/05/644507805.db2.gz BMFRZAXMTPZMBI-LBPRGKRZSA-N 0 1 271.364 2.695 20 30 CFEDMN CC(=O)Nc1ccc2c(c1)CN([C@H]1CC[C@H](C#N)C1)CC2 ZINC000880032294 644508451 /nfs/dbraw/zinc/50/84/51/644508451.db2.gz CEJSZZLFJJJSGT-GUYCJALGSA-N 0 1 283.375 2.695 20 30 CFEDMN CCC#C[C@H](C)N1CC[C@@H](C(F)(F)F)O[C@H](C)C1 ZINC000880062479 644518354 /nfs/dbraw/zinc/51/83/54/644518354.db2.gz MYRNMVCYZPPYBF-TUAOUCFPSA-N 0 1 263.303 2.830 20 30 CFEDMN CO[C@@]1(C(F)(F)F)CCN(Cc2ccc(CC#N)cc2)C1 ZINC000880306519 644644352 /nfs/dbraw/zinc/64/43/52/644644352.db2.gz VBEYBGOXNSQBBH-AWEZNQCLSA-N 0 1 298.308 2.906 20 30 CFEDMN C#CCCCCCC(=O)N1C[C@@H](C)N(CC)[C@@H](C)C1 ZINC000880610412 644787041 /nfs/dbraw/zinc/78/70/41/644787041.db2.gz PHDGWLKWMADMOL-GASCZTMLSA-N 0 1 264.413 2.511 20 30 CFEDMN C=C(C)CN1CCC[C@@H](NC(=O)c2ccsc2C)C1 ZINC001007278091 650989058 /nfs/dbraw/zinc/98/90/58/650989058.db2.gz BGXXCJVALULMGA-CYBMUJFWSA-N 0 1 278.421 2.827 20 30 CFEDMN C=CCSc1ccccc1C(=O)NC[C@H]1CCN1CC ZINC000882490947 645341691 /nfs/dbraw/zinc/34/16/91/645341691.db2.gz AFIAKZAXILPOPW-CYBMUJFWSA-N 0 1 290.432 2.789 20 30 CFEDMN C#CCOc1ccc(CN[C@H](CO)c2ccccc2)cc1 ZINC000304246803 651017617 /nfs/dbraw/zinc/01/76/17/651017617.db2.gz VWGHMUXBQBURNB-GOSISDBHSA-N 0 1 281.355 2.522 20 30 CFEDMN C#Cc1ccc(CNCc2cnn(C(C)C)c2)cc1 ZINC000883132167 645618584 /nfs/dbraw/zinc/61/85/84/645618584.db2.gz HUOADCPPRDYZQT-UHFFFAOYSA-N 0 1 253.349 2.735 20 30 CFEDMN C#Cc1ccc(CNCc2ccnn2CC(C)C)cc1 ZINC000883132357 645619012 /nfs/dbraw/zinc/61/90/12/645619012.db2.gz OQUFUHGRNLPJGA-UHFFFAOYSA-N 0 1 267.376 2.810 20 30 CFEDMN C=C(C)C[C@H](CO)N[C@H](C)c1nc2c(s1)CCCC2 ZINC000883390724 645789393 /nfs/dbraw/zinc/78/93/93/645789393.db2.gz SCNRIEQPFGHHIR-VXGBXAGGSA-N 0 1 280.437 3.000 20 30 CFEDMN C=C(C)C[C@@H](CO)NCc1csc(-c2ccccn2)n1 ZINC000883401781 645798312 /nfs/dbraw/zinc/79/83/12/645798312.db2.gz YDPLYVSVWKEKDS-LBPRGKRZSA-N 0 1 289.404 2.622 20 30 CFEDMN N#Cc1ccc(-n2[nH]c(C3CCCC3)cc2=O)cc1 ZINC000132850576 645974763 /nfs/dbraw/zinc/97/47/63/645974763.db2.gz AXVKQERIHMCXFX-UHFFFAOYSA-N 0 1 253.305 2.841 20 30 CFEDMN C=CCCC[C@@H](C(=O)N1CCNCC1)c1ccccc1 ZINC000884007839 646093123 /nfs/dbraw/zinc/09/31/23/646093123.db2.gz QVFHFYKTQNEWFM-MRXNPFEDSA-N 0 1 272.392 2.558 20 30 CFEDMN N#Cc1ccc(O)c(NC(=O)c2ccc(F)c(F)c2F)c1 ZINC000134099050 646280373 /nfs/dbraw/zinc/28/03/73/646280373.db2.gz AQHPLXYTYTUVHA-UHFFFAOYSA-N 0 1 292.216 2.933 20 30 CFEDMN Cc1cnc(NC2CCN(Cc3cccc(C#N)c3)CC2)o1 ZINC000884546618 646439708 /nfs/dbraw/zinc/43/97/08/646439708.db2.gz PBDFIRKZPYQIJZ-UHFFFAOYSA-N 0 1 296.374 2.931 20 30 CFEDMN C#CCN1CCC[C@H](Nc2ccnc(C(F)(F)F)c2)C1 ZINC000884611967 646486839 /nfs/dbraw/zinc/48/68/39/646486839.db2.gz ZZWJZWAMBNKURB-LBPRGKRZSA-N 0 1 283.297 2.610 20 30 CFEDMN C#CCN1CCC[C@@H](Nc2ncnc3scc(C)c32)C1 ZINC000884611511 646486943 /nfs/dbraw/zinc/48/69/43/646486943.db2.gz NUFBUVZMTOWBGA-GFCCVEGCSA-N 0 1 286.404 2.509 20 30 CFEDMN Cc1[nH]nc(CNc2ccccc2O[C@@H](C)C#N)c1C ZINC000886060293 646848304 /nfs/dbraw/zinc/84/83/04/646848304.db2.gz YXUWNTJGDKFIQW-JTQLQIEISA-N 0 1 270.336 2.930 20 30 CFEDMN Cc1cnc(C(C)(C)NC[C@@H](O)CC2(C#N)CCC2)s1 ZINC000886129627 646886300 /nfs/dbraw/zinc/88/63/00/646886300.db2.gz JZGNSAQPANRZKS-LBPRGKRZSA-N 0 1 293.436 2.721 20 30 CFEDMN C#CCN1CCC[C@@H](NCc2coc(-c3ccccc3)n2)C1 ZINC000886213157 646923940 /nfs/dbraw/zinc/92/39/40/646923940.db2.gz NFBJQYLDFFJFLJ-MRXNPFEDSA-N 0 1 295.386 2.529 20 30 CFEDMN C#CCN1CCC[C@@H](NCc2ncc(C(C)(C)C)s2)C1 ZINC000886211760 646924116 /nfs/dbraw/zinc/92/41/16/646924116.db2.gz XFWWGFLRUIHFAY-CYBMUJFWSA-N 0 1 291.464 2.628 20 30 CFEDMN C#CC[C@@H]1CC[N@H+](Cc2nnc(-c3cc(C)oc3C)o2)C1 ZINC000886354239 646983317 /nfs/dbraw/zinc/98/33/17/646983317.db2.gz YLBYIVQJJQWHIK-CYBMUJFWSA-N 0 1 285.347 2.792 20 30 CFEDMN C#CC[C@@H]1CCN(Cc2nnc(-c3cc(C)oc3C)o2)C1 ZINC000886354239 646983321 /nfs/dbraw/zinc/98/33/21/646983321.db2.gz YLBYIVQJJQWHIK-CYBMUJFWSA-N 0 1 285.347 2.792 20 30 CFEDMN C#CC[C@H]1CCN([C@@H](C)C(=O)Nc2ccc(F)c(F)c2)C1 ZINC000886355862 646983936 /nfs/dbraw/zinc/98/39/36/646983936.db2.gz OUGVNCMJNIKGSA-RYUDHWBXSA-N 0 1 292.329 2.637 20 30 CFEDMN C#CC[C@@H]1CCN([C@@H](C)C(=O)Nc2ccc(C)cc2F)C1 ZINC000886355019 646984605 /nfs/dbraw/zinc/98/46/05/646984605.db2.gz AWFVOYVJRNGPGM-UONOGXRCSA-N 0 1 288.366 2.806 20 30 CFEDMN C#CC[C@H]1CCN(CC(=O)Nc2c(C)cccc2C)C1 ZINC000886359885 646986825 /nfs/dbraw/zinc/98/68/25/646986825.db2.gz LIWKTQDKVGJLLZ-HNNXBMFYSA-N 0 1 270.376 2.587 20 30 CFEDMN C#CC[C@H]1CCN(Cc2ncccc2Br)C1 ZINC000886365222 646989084 /nfs/dbraw/zinc/98/90/84/646989084.db2.gz COPYDIPQMHWCGW-NSHDSACASA-N 0 1 279.181 2.689 20 30 CFEDMN C#CCC1(NCc2ncc(C(C)C)s2)CCOCC1 ZINC000886379217 646993263 /nfs/dbraw/zinc/99/32/63/646993263.db2.gz SBQSWOWJDWGUHU-UHFFFAOYSA-N 0 1 278.421 2.929 20 30 CFEDMN C=CCCCS(=O)(=O)Nc1cccc2oc(C)nc21 ZINC000886411428 646996620 /nfs/dbraw/zinc/99/66/20/646996620.db2.gz UWRRCCMIWFBPID-UHFFFAOYSA-N 0 1 280.349 2.844 20 30 CFEDMN N#Cc1ccccc1CN1CCC[C@@H](c2ncccn2)C1 ZINC000886673792 647104139 /nfs/dbraw/zinc/10/41/39/647104139.db2.gz AYQHVDWJSSEKKP-MRXNPFEDSA-N 0 1 278.359 2.728 20 30 CFEDMN CSc1ccc(CN[C@@H](C)c2cnn(C)c2)cc1C#N ZINC000886688378 647111567 /nfs/dbraw/zinc/11/15/67/647111567.db2.gz QFYOJHHXSJUYFP-NSHDSACASA-N 0 1 286.404 2.864 20 30 CFEDMN C=CCC1(O)CCN(Cc2cccc3nsnc32)CC1 ZINC000886769603 647131547 /nfs/dbraw/zinc/13/15/47/647131547.db2.gz XYPIGIOHMARJQZ-UHFFFAOYSA-N 0 1 289.404 2.594 20 30 CFEDMN C[C@H](c1ccc(C#N)cc1)N1CC[C@](CO)(C(F)(F)F)C1 ZINC000886799466 647142535 /nfs/dbraw/zinc/14/25/35/647142535.db2.gz RDPXUCVKABMESL-RISCZKNCSA-N 0 1 298.308 2.866 20 30 CFEDMN C[C@@H](C(=O)N(C)C1(C#N)CCC(C)CC1)N(C)CCCF ZINC000887139922 647228688 /nfs/dbraw/zinc/22/86/88/647228688.db2.gz JRLQILDIFGNSJT-BBBYJDLNSA-N 0 1 297.418 2.597 20 30 CFEDMN C[C@@H](CC(C)(C)C#N)NCc1nccn1CC(F)(F)F ZINC000924930549 648074109 /nfs/dbraw/zinc/07/41/09/648074109.db2.gz LMVACMJLQJUWRF-JTQLQIEISA-N 0 1 288.317 2.863 20 30 CFEDMN C=CCNC(=O)CN[C@H](C)c1c(C)oc2ccccc21 ZINC000925979083 648378589 /nfs/dbraw/zinc/37/85/89/648378589.db2.gz IXHDFDIFVVDKKJ-LLVKDONJSA-N 0 1 272.348 2.694 20 30 CFEDMN C#C[C@H](N[C@H](C)c1ccc(C(C)(C)O)cc1)[C@H]1CCCO1 ZINC000926210883 648436083 /nfs/dbraw/zinc/43/60/83/648436083.db2.gz QMKGBEFTFXWRAM-XOKHGSTOSA-N 0 1 287.403 2.745 20 30 CFEDMN C#C[C@H](N[C@@H](C)c1ccc(C(C)(C)O)cc1)[C@H]1CCCO1 ZINC000926210881 648436122 /nfs/dbraw/zinc/43/61/22/648436122.db2.gz QMKGBEFTFXWRAM-RRQGHBQHSA-N 0 1 287.403 2.745 20 30 CFEDMN C=CCCCCCCN[C@H](C)c1cc(CO)on1 ZINC000926423609 648482897 /nfs/dbraw/zinc/48/28/97/648482897.db2.gz QPQPPNPCQWFNNF-GFCCVEGCSA-N 0 1 252.358 2.954 20 30 CFEDMN C[C@H](CC(C)(C)C#N)NCc1ncccc1N(C)C ZINC000926445419 648490068 /nfs/dbraw/zinc/49/00/68/648490068.db2.gz KILBTPZEXMEOQN-GFCCVEGCSA-N 0 1 260.385 2.566 20 30 CFEDMN CC[C@@H]([NH2+][C@@H]1CCc2[nH]cnc2C1)c1cccc(C#N)c1[O-] ZINC000926450417 648492652 /nfs/dbraw/zinc/49/26/52/648492652.db2.gz MKSWIBPAMUXAFF-TZMCWYRMSA-N 0 1 296.374 2.585 20 30 CFEDMN C=CCCSCCN[C@H](C)c1cn(C(C)C)nn1 ZINC000926682751 648573325 /nfs/dbraw/zinc/57/33/25/648573325.db2.gz FKNWKEAWLOCUMN-GFCCVEGCSA-N 0 1 268.430 2.819 20 30 CFEDMN Cc1nc2c(o1)CCC[C@H]2N[C@H]1Cc2ccc(C#N)cc2C1 ZINC000926812153 648625427 /nfs/dbraw/zinc/62/54/27/648625427.db2.gz KEBXASFTOLTAFK-JKSUJKDBSA-N 0 1 293.370 2.989 20 30 CFEDMN C=C(C)C[C@@H](CO)N[C@H]1COCc2cccc(Cl)c21 ZINC000926866050 648638451 /nfs/dbraw/zinc/63/84/51/648638451.db2.gz VBTWOLVIUUFYRF-JSGCOSHPSA-N 0 1 281.783 2.828 20 30 CFEDMN CSc1ccc(CN[C@H](C)c2ccnnc2)cc1C#N ZINC000926868042 648639272 /nfs/dbraw/zinc/63/92/72/648639272.db2.gz GQQBKGMARNVSBP-LLVKDONJSA-N 0 1 284.388 2.921 20 30 CFEDMN Cc1cc([C@H](C)NCc2ccc(C)c(C#N)c2)n(C)n1 ZINC000926962406 648671961 /nfs/dbraw/zinc/67/19/61/648671961.db2.gz LVIRQXWWKHPVRW-ZDUSSCGKSA-N 0 1 268.364 2.759 20 30 CFEDMN Cc1n[nH]cc1[C@@H](C)NCc1ccc(C)c(C#N)c1 ZINC000926966602 648674168 /nfs/dbraw/zinc/67/41/68/648674168.db2.gz LKOFMLVMWBQWLP-LLVKDONJSA-N 0 1 254.337 2.749 20 30 CFEDMN C=CCC[C@@H](C(=O)NC[C@H]1CCN1C)c1ccccc1 ZINC000928556528 648924754 /nfs/dbraw/zinc/92/47/54/648924754.db2.gz AORQXHYJSCHOOW-HZPDHXFCSA-N 0 1 272.392 2.557 20 30 CFEDMN C=CCCC[C@H](C(=O)NC[C@H]1CCN1C)c1ccccc1 ZINC000928571553 648925347 /nfs/dbraw/zinc/92/53/47/648925347.db2.gz OXDZPGZNQCHKLD-SJORKVTESA-N 0 1 286.419 2.947 20 30 CFEDMN C#CCN(C(=O)c1cc(-c2ccc(F)cc2)[nH]n1)C(C)C ZINC000928628651 648938126 /nfs/dbraw/zinc/93/81/26/648938126.db2.gz ZYHILUGPOIJNGW-UHFFFAOYSA-N 0 1 285.322 2.700 20 30 CFEDMN C#CCN1CCC(NC(=O)C[C@@H](CC)CCCC)CC1 ZINC000928654742 648938637 /nfs/dbraw/zinc/93/86/37/648938637.db2.gz BMNQYQHVPSSSOO-HNNXBMFYSA-N 0 1 278.440 2.807 20 30 CFEDMN C#CCN1CCC(NC(=O)C(CC(C)C)CC(C)C)CC1 ZINC000928651012 648938892 /nfs/dbraw/zinc/93/88/92/648938892.db2.gz JSGUWSVMPDQDMI-UHFFFAOYSA-N 0 1 292.467 2.909 20 30 CFEDMN C#CCN1CCC(NC(=O)CC/C=C/c2ccccc2)CC1 ZINC000928655297 648939068 /nfs/dbraw/zinc/93/90/68/648939068.db2.gz PEUONQKXMLMHBU-UXBLZVDNSA-N 0 1 296.414 2.694 20 30 CFEDMN C#CCN1CCC(NC(=O)CCCCC(C)(C)C)CC1 ZINC000928653492 648939071 /nfs/dbraw/zinc/93/90/71/648939071.db2.gz OFOUMALGVBLXKO-UHFFFAOYSA-N 0 1 278.440 2.807 20 30 CFEDMN C#CCN1CCC(NC(=O)[C@@H](CC)CCCCC)CC1 ZINC000928654097 648939180 /nfs/dbraw/zinc/93/91/80/648939180.db2.gz NBEPOFBAJFDUSA-HNNXBMFYSA-N 0 1 278.440 2.807 20 30 CFEDMN C=CCN(Cc1cccs1)C[C@@H]1CCC2(COC2)O1 ZINC000929142086 648988893 /nfs/dbraw/zinc/98/88/93/648988893.db2.gz XZOLMGSZTZXJQB-ZDUSSCGKSA-N 0 1 279.405 2.684 20 30 CFEDMN CC(C)[N@H+]1CCC[C@H]1C(=O)Nc1ccc(CC#N)cc1 ZINC000929402327 649045343 /nfs/dbraw/zinc/04/53/43/649045343.db2.gz HREDONBIFWDDIO-HNNXBMFYSA-N 0 1 271.364 2.564 20 30 CFEDMN CN(C)c1cccc(CN(C)Cc2cncc(C#N)c2)c1 ZINC000930054400 649173564 /nfs/dbraw/zinc/17/35/64/649173564.db2.gz GYUMSLARRFEIDK-UHFFFAOYSA-N 0 1 280.375 2.651 20 30 CFEDMN C[C@H](CCO)N(Cc1ccccc1)Cc1cncc(C#N)c1 ZINC000930177899 649198637 /nfs/dbraw/zinc/19/86/37/649198637.db2.gz SLGYNMQTPHZDNP-OAHLLOKOSA-N 0 1 295.386 2.726 20 30 CFEDMN CCC#C[C@@H](C)N[C@H]1c2sccc2OC(C)(C)[C@@H]1O ZINC000930546514 649270887 /nfs/dbraw/zinc/27/08/87/649270887.db2.gz FWXMGUGBLZBYLT-SCDSUCTJSA-N 0 1 279.405 2.713 20 30 CFEDMN CC[C@H](CC#N)NC[C@H]1CCC[C@H](C(F)(F)F)O1 ZINC000930693419 649307363 /nfs/dbraw/zinc/30/73/63/649307363.db2.gz NIQMROAWUQBMGD-GMTAPVOTSA-N 0 1 264.291 2.768 20 30 CFEDMN CCOC(=O)/C=C/CN(C)[C@@H](C)c1cccc(C#N)c1 ZINC000930763671 649322627 /nfs/dbraw/zinc/32/26/27/649322627.db2.gz GZQNALWLPWVKDY-PPGNKHEKSA-N 0 1 272.348 2.670 20 30 CFEDMN N#Cc1cc(Cl)cc(CN2CC[C@@H]3OCC[C@@H]3C2)c1 ZINC000930816677 649331293 /nfs/dbraw/zinc/33/12/93/649331293.db2.gz QVWNFMIXOLHJEV-HIFRSBDPSA-N 0 1 276.767 2.822 20 30 CFEDMN N#CC[C@@H](O)CN1CC2(CC=CC2)[C@H]1c1ccccc1 ZINC000930823993 649332323 /nfs/dbraw/zinc/33/23/23/649332323.db2.gz ARSPFUSNZYWGDT-HZPDHXFCSA-N 0 1 268.360 2.654 20 30 CFEDMN C[C@@H](CC#N)NCCC1(C(=O)OC(C)(C)C)CCC1 ZINC000930866596 649338720 /nfs/dbraw/zinc/33/87/20/649338720.db2.gz DFBZYXRYOLHFSB-LBPRGKRZSA-N 0 1 266.385 2.780 20 30 CFEDMN C#C[C@H]1CCC[N@@H+](C[C@@H](C)C(=O)c2ccc([O-])cc2)C1 ZINC000930887515 649343980 /nfs/dbraw/zinc/34/39/80/649343980.db2.gz YYOJKUBMILSACA-KGLIPLIRSA-N 0 1 271.360 2.556 20 30 CFEDMN C#C[C@H]1CCC[N@H+](C[C@@H](C)C(=O)c2ccc([O-])cc2)C1 ZINC000930887515 649343981 /nfs/dbraw/zinc/34/39/81/649343981.db2.gz YYOJKUBMILSACA-KGLIPLIRSA-N 0 1 271.360 2.556 20 30 CFEDMN C[C@@H](C[N@@H+]1CCC[C@H](CC#N)C1)C(=O)c1ccc([O-])cc1 ZINC000930922640 649350342 /nfs/dbraw/zinc/35/03/42/649350342.db2.gz CYCLVWWTWIXIOW-UONOGXRCSA-N 0 1 286.375 2.837 20 30 CFEDMN C[C@@H](C[N@H+]1CCC[C@H](CC#N)C1)C(=O)c1ccc([O-])cc1 ZINC000930922640 649350345 /nfs/dbraw/zinc/35/03/45/649350345.db2.gz CYCLVWWTWIXIOW-UONOGXRCSA-N 0 1 286.375 2.837 20 30 CFEDMN C=CC[C@H]1CCCN(Cc2noc3c2COCC3)C1 ZINC000930962311 649356480 /nfs/dbraw/zinc/35/64/80/649356480.db2.gz LOSFCAFUIBNLKB-LBPRGKRZSA-N 0 1 262.353 2.535 20 30 CFEDMN CN(c1ccccc1)[C@@H]1CCN(Cc2cncc(C#N)c2)C1 ZINC000931059480 649372216 /nfs/dbraw/zinc/37/22/16/649372216.db2.gz LBDAKTNYTWIRRV-GOSISDBHSA-N 0 1 292.386 2.664 20 30 CFEDMN COc1ccc([C@H](NCc2cncc(C#N)c2)C2CC2)cn1 ZINC000931342288 649412646 /nfs/dbraw/zinc/41/26/46/649412646.db2.gz WLOIDNZLRARCML-QGZVFWFLSA-N 0 1 294.358 2.598 20 30 CFEDMN C=C[C@H](CC)CC(=O)NCc1n[nH]c(-c2ccccc2)n1 ZINC000931390332 649419718 /nfs/dbraw/zinc/41/97/18/649419718.db2.gz SWVQGAQFZFHDPE-GFCCVEGCSA-N 0 1 284.363 2.690 20 30 CFEDMN C=C[C@H](CC)CC(=O)NCc1nc(-c2ccccc2)n[nH]1 ZINC000931390332 649419721 /nfs/dbraw/zinc/41/97/21/649419721.db2.gz SWVQGAQFZFHDPE-GFCCVEGCSA-N 0 1 284.363 2.690 20 30 CFEDMN COC(=O)[C@@H]1CCCC[C@@H]1CN(C)[C@H]1CCC[C@@H]1C#N ZINC000931474826 649437289 /nfs/dbraw/zinc/43/72/89/649437289.db2.gz IRTFWAWRFIOMJT-TUVASFSCSA-N 0 1 278.396 2.590 20 30 CFEDMN C#CCCCCCCN1CCc2[nH+]ccc(N)c2C1 ZINC000931517363 649445711 /nfs/dbraw/zinc/44/57/11/649445711.db2.gz XYOCZTUTDBIPJU-UHFFFAOYSA-N 0 1 257.381 2.606 20 30 CFEDMN N#Cc1cc(Cl)cc(CN2CC[C@@]3(CO)CCC[C@@H]23)c1 ZINC000931747880 649482698 /nfs/dbraw/zinc/48/26/98/649482698.db2.gz YBKKZOBYZVISMF-HZPDHXFCSA-N 0 1 290.794 2.949 20 30 CFEDMN Cn1ccc([C@@H]2CCCN(Cc3cccc(C#N)c3F)C2)n1 ZINC000932132128 649546218 /nfs/dbraw/zinc/54/62/18/649546218.db2.gz DIDXUKFPDXWXRG-CQSZACIVSA-N 0 1 298.365 2.810 20 30 CFEDMN Cn1ccc([C@@H]2CCCN(Cc3ccc(F)c(C#N)c3)C2)n1 ZINC000932137321 649548861 /nfs/dbraw/zinc/54/88/61/649548861.db2.gz ZNHRLPZNGPDCRY-CQSZACIVSA-N 0 1 298.365 2.810 20 30 CFEDMN Cn1nccc1[C@H]1CCCN1CCOc1cccc(C#N)c1 ZINC000932268854 649572345 /nfs/dbraw/zinc/57/23/45/649572345.db2.gz FVRJZUUMULVTEQ-QGZVFWFLSA-N 0 1 296.374 2.508 20 30 CFEDMN Cn1nccc1[C@@H]1CCCN1Cc1ccc(OCC#N)cc1 ZINC000932268950 649572468 /nfs/dbraw/zinc/57/24/68/649572468.db2.gz SDMPUCJFFZNQMO-KRWDZBQOSA-N 0 1 296.374 2.660 20 30 CFEDMN C#CCN(Cc1cnc2c(cnn2C(C)C)c1)C(C)C ZINC000932392493 649592517 /nfs/dbraw/zinc/59/25/17/649592517.db2.gz LCWIJKGGNTXSNM-UHFFFAOYSA-N 0 1 270.380 2.856 20 30 CFEDMN C#CCC1(NCc2ccoc2C(=O)OC)CCCCC1 ZINC000933268400 649684251 /nfs/dbraw/zinc/68/42/51/649684251.db2.gz YDUVUFBJWGYXNK-UHFFFAOYSA-N 0 1 275.348 2.882 20 30 CFEDMN C=C(Cl)CN[C@](C)(CO)Cc1ccc(Cl)cc1 ZINC000933449776 649694537 /nfs/dbraw/zinc/69/45/37/649694537.db2.gz QKSLWHXIUODXBH-ZDUSSCGKSA-N 0 1 274.191 2.976 20 30 CFEDMN Cc1cc(CN2CCC(c3ccc(C#N)cc3)CC2)n(C)n1 ZINC000933608426 649705575 /nfs/dbraw/zinc/70/55/75/649705575.db2.gz ZRCWSZSVKMIJPY-UHFFFAOYSA-N 0 1 294.402 2.980 20 30 CFEDMN Cc1cc(C#N)ccc1CN1CCC2(CC1)CC(=O)C=CO2 ZINC000933645678 649709590 /nfs/dbraw/zinc/70/95/90/649709590.db2.gz AESAVMHNFYKZRA-UHFFFAOYSA-N 0 1 296.370 2.704 20 30 CFEDMN O=C1C=COC2(CCN(Cc3cccs3)CC2)C1 ZINC000933648639 649710056 /nfs/dbraw/zinc/71/00/56/649710056.db2.gz DVFYUFYXBONTKX-UHFFFAOYSA-N 0 1 263.362 2.586 20 30 CFEDMN COc1cccc(CN2CCC3(CC2)CC(=O)C=CO3)c1 ZINC000933649732 649710384 /nfs/dbraw/zinc/71/03/84/649710384.db2.gz SNYZKRSWOFWNHZ-UHFFFAOYSA-N 0 1 287.359 2.533 20 30 CFEDMN Cc1cc(CNC(=O)Nc2ccc(C#N)cc2C2CC2)n[nH]1 ZINC000933839548 649723938 /nfs/dbraw/zinc/72/39/38/649723938.db2.gz YQWWHHWEKICBBM-UHFFFAOYSA-N 0 1 295.346 2.789 20 30 CFEDMN N#C[C@@H](NC(=O)c1cccc(F)c1O)C1CCCCC1 ZINC000934135503 649754393 /nfs/dbraw/zinc/75/43/93/649754393.db2.gz VQRSNOLQVQOYQX-CYBMUJFWSA-N 0 1 276.311 2.734 20 30 CFEDMN C=CC[C@@H]1CCN1[C@@H](C)C(=O)Nc1ccc(OC)cc1 ZINC000934465991 649789208 /nfs/dbraw/zinc/78/92/08/649789208.db2.gz IQAVKOSVOXOCAY-GXTWGEPZSA-N 0 1 274.364 2.673 20 30 CFEDMN C=CC[C@H]1CCN1CC(=O)N(C)[C@@H](C)CC(C)C ZINC000934465304 649789470 /nfs/dbraw/zinc/78/94/70/649789470.db2.gz KOYQYRJSFLCRNL-KBPBESRZSA-N 0 1 252.402 2.530 20 30 CFEDMN C=CC[C@H]1CCN1[C@H](C)C(=O)N1CCc2sccc2C1 ZINC000934469941 649790246 /nfs/dbraw/zinc/79/02/46/649790246.db2.gz KLHZJLVWBAGYCB-OCCSQVGLSA-N 0 1 290.432 2.672 20 30 CFEDMN C=CC[C@H]1CCN1CC(=O)N(CC)Cc1cccc(F)c1 ZINC000934471235 649790621 /nfs/dbraw/zinc/79/06/21/649790621.db2.gz JPKMHSQUVUWUMA-INIZCTEOSA-N 0 1 290.382 2.825 20 30 CFEDMN C=CC[C@H]1CCN1[C@@H](C)C(=O)NC1CCC(C)CC1 ZINC000934472213 649791160 /nfs/dbraw/zinc/79/11/60/649791160.db2.gz ZZURHNOTKVRBBW-SHWKFHJASA-N 0 1 264.413 2.720 20 30 CFEDMN C=CCCCN(CC)Cc1n[nH]c(C(C)(C)C)n1 ZINC000934645157 649811025 /nfs/dbraw/zinc/81/10/25/649811025.db2.gz MTYKFGYGECFOMM-UHFFFAOYSA-N 0 1 250.390 2.890 20 30 CFEDMN COC(=O)c1cccc(CNC(C)(C)CSC)c1C#N ZINC000934666662 649813549 /nfs/dbraw/zinc/81/35/49/649813549.db2.gz IMQSMJJOPCPUEF-UHFFFAOYSA-N 0 1 292.404 2.576 20 30 CFEDMN Oc1ccc(C=Nn2c(=S)[nH]nc2C(F)(F)F)cc1 ZINC000254432901 651088774 /nfs/dbraw/zinc/08/87/74/651088774.db2.gz XAJFSXCDNPQGHJ-UHFFFAOYSA-N 0 1 288.254 2.547 20 30 CFEDMN C(=NN=c1[nH]c2ccccc2[nH]1)c1ccnc2ccccc12 ZINC000254680303 651093781 /nfs/dbraw/zinc/09/37/81/651093781.db2.gz ZBTBGVWZZYBOMV-UHFFFAOYSA-N 0 1 287.326 2.979 20 30 CFEDMN C=C(C)CN1CCC[C@@H](NC(=O)c2cscc2C)C1 ZINC001007004268 651130282 /nfs/dbraw/zinc/13/02/82/651130282.db2.gz KKHBDXPZPLHLBT-CYBMUJFWSA-N 0 1 278.421 2.827 20 30 CFEDMN C=CCN1CCC[C@@H](NC(=O)c2csc(C)c2C)C1 ZINC001007409913 651134988 /nfs/dbraw/zinc/13/49/88/651134988.db2.gz FZUDNLSMFPZIJL-CYBMUJFWSA-N 0 1 278.421 2.745 20 30 CFEDMN C=CCN1CCC[C@H](NC(=O)Cc2cccc(C3CC3)c2)C1 ZINC001008044650 651141238 /nfs/dbraw/zinc/14/12/38/651141238.db2.gz JDBLJFVBKGYJBH-SFHVURJKSA-N 0 1 298.430 2.873 20 30 CFEDMN C=CCN1CCC[C@H](NC(=O)c2c(C)cc(F)cc2C)C1 ZINC001008154498 651142800 /nfs/dbraw/zinc/14/28/00/651142800.db2.gz XUDAANOBSOCVEE-HNNXBMFYSA-N 0 1 290.382 2.823 20 30 CFEDMN C=C(C)CN1CCC[C@H](NC(=O)c2cccc(F)c2F)C1 ZINC001008338835 651146168 /nfs/dbraw/zinc/14/61/68/651146168.db2.gz GGMNGTXYORIDNE-LBPRGKRZSA-N 0 1 294.345 2.735 20 30 CFEDMN C=CCN1CCC[C@H](NC(=O)c2ccoc2C2CC2)C1 ZINC001008309807 651146610 /nfs/dbraw/zinc/14/66/10/651146610.db2.gz LVDXVESJQLHEJR-ZDUSSCGKSA-N 0 1 274.364 2.537 20 30 CFEDMN C=CCN1CCC[C@H](NC(=O)c2ccc(F)c(Cl)c2)C1 ZINC001008351975 651146898 /nfs/dbraw/zinc/14/68/98/651146898.db2.gz ZIQMGZYKYQHQTQ-LBPRGKRZSA-N 0 1 296.773 2.859 20 30 CFEDMN C=C(C)CN1CCC[C@H](NC(=O)[C@@H](C)c2ccco2)C1 ZINC001008515016 651150030 /nfs/dbraw/zinc/15/00/30/651150030.db2.gz YJBGHPYWIFEONM-KBPBESRZSA-N 0 1 276.380 2.540 20 30 CFEDMN C=CCN1CCC[C@@H](NC(=O)c2ccc(C(C)C)cn2)C1 ZINC001008531931 651150933 /nfs/dbraw/zinc/15/09/33/651150933.db2.gz NGXSFECVEZQYJG-OAHLLOKOSA-N 0 1 287.407 2.585 20 30 CFEDMN C=CCN1CCC[C@H](NC(=O)c2ccc(C)c(F)c2F)C1 ZINC001008628678 651151150 /nfs/dbraw/zinc/15/11/50/651151150.db2.gz KHUSOICFNLISPM-LBPRGKRZSA-N 0 1 294.345 2.653 20 30 CFEDMN C=CCN1CCC[C@H](NC(=O)[C@H]2[C@@H]3CCCCCC[C@@H]32)C1 ZINC001008651811 651151262 /nfs/dbraw/zinc/15/12/62/651151262.db2.gz ITCWECQVRFLJGT-MWDXBVQZSA-N 0 1 290.451 2.969 20 30 CFEDMN C=CCN1CCC[C@H](NC(=O)C2[C@@H]3CCCCCC[C@@H]23)C1 ZINC001008651809 651151462 /nfs/dbraw/zinc/15/14/62/651151462.db2.gz ITCWECQVRFLJGT-ARFHVFGLSA-N 0 1 290.451 2.969 20 30 CFEDMN C=CCN1CCC[C@H](NC(=O)c2cnc3ccccc3c2)C1 ZINC001008671423 651151894 /nfs/dbraw/zinc/15/18/94/651151894.db2.gz OBBKFIUGBPFRNA-INIZCTEOSA-N 0 1 295.386 2.615 20 30 CFEDMN C=CCN1CCC[C@@H](NC(=O)[C@H](C)c2cc(C)oc2C)C1 ZINC001008891687 651154359 /nfs/dbraw/zinc/15/43/59/651154359.db2.gz HOVQEXGBXYDIPM-UKRRQHHQSA-N 0 1 290.407 2.767 20 30 CFEDMN C=CCN1CCC[C@@H](NC(=O)C[C@H]2CCc3ccccc32)C1 ZINC001008928482 651155321 /nfs/dbraw/zinc/15/53/21/651155321.db2.gz XPDGUNKQLSVMBZ-IAGOWNOFSA-N 0 1 298.430 2.873 20 30 CFEDMN C=C(C)CN1CCC[C@@H](NC(=O)c2cnoc2C(C)C)C1 ZINC001009074297 651155541 /nfs/dbraw/zinc/15/55/41/651155541.db2.gz MRYHCSXZSBXLIE-CYBMUJFWSA-N 0 1 291.395 2.568 20 30 CFEDMN C=CCN1CCC[C@@H](NC(=O)c2cc(C)ccc2C)C1 ZINC001009337712 651159631 /nfs/dbraw/zinc/15/96/31/651159631.db2.gz UTLTXEAVBVSZBM-OAHLLOKOSA-N 0 1 272.392 2.684 20 30 CFEDMN C=CCN1CCC[C@H](NC(=O)c2ccc(CC)cc2)C1 ZINC001009383919 651159884 /nfs/dbraw/zinc/15/98/84/651159884.db2.gz JUJUGJUIJKEYGD-INIZCTEOSA-N 0 1 272.392 2.629 20 30 CFEDMN C=CCN1CCC[C@@H](NC(=O)[C@]2(C)CC=C(C)CC2)C1 ZINC001009615282 651162196 /nfs/dbraw/zinc/16/21/96/651162196.db2.gz ZXQRJVDXYUIVMQ-NVXWUHKLSA-N 0 1 276.424 2.890 20 30 CFEDMN C=CCN1CCC[C@@H](NC(=O)C23CCC(CC2)CC3)C1 ZINC001009610931 651162810 /nfs/dbraw/zinc/16/28/10/651162810.db2.gz MEYCOFAMAXTHEG-ISXOHVOVSA-N 0 1 276.424 2.723 20 30 CFEDMN C=CCN1CCC[C@H](NC(=O)[C@]2(C)CCc3ccccc32)C1 ZINC001009692983 651163219 /nfs/dbraw/zinc/16/32/19/651163219.db2.gz UEINNVNSABUEOH-QFBILLFUSA-N 0 1 298.430 2.657 20 30 CFEDMN C#CCCN1CCC[C@H](NC(=O)c2ccoc2C(C)C)C1 ZINC001009693458 651163579 /nfs/dbraw/zinc/16/35/79/651163579.db2.gz USMHWQYNHGIHLY-AWEZNQCLSA-N 0 1 288.391 2.621 20 30 CFEDMN CCOc1ccccc1NC(=O)C(C#N)C(=O)[C@@H](C)CC ZINC000113141107 651184965 /nfs/dbraw/zinc/18/49/65/651184965.db2.gz SSDBSLOFJUGDFC-NWDGAFQWSA-N 0 1 288.347 2.779 20 30 CFEDMN C=CCN1CC[C@H](NC(=O)c2cccc(C(F)F)c2F)C1 ZINC001014480451 651186023 /nfs/dbraw/zinc/18/60/23/651186023.db2.gz XGWFAONLIZMGGF-JTQLQIEISA-N 0 1 298.308 2.753 20 30 CFEDMN C=CCN1CC[C@H](NC(=O)[C@@H]2[C@@H](c3ccccc3)C2(C)C)C1 ZINC001014470944 651186116 /nfs/dbraw/zinc/18/61/16/651186116.db2.gz VGBWFNUWFRXNJM-BBWFWOEESA-N 0 1 298.430 2.803 20 30 CFEDMN C=C(C)CN1CC[C@@H](NC(=O)c2ccc3cc(C)cn3c2)C1 ZINC001014670790 651190282 /nfs/dbraw/zinc/19/02/82/651190282.db2.gz VPEWXVXXWJSKJZ-MRXNPFEDSA-N 0 1 297.402 2.628 20 30 CFEDMN C=CCN1CC[C@@H](NC(=O)C(C)(C)C2CCCC2)C1 ZINC001014749630 651191379 /nfs/dbraw/zinc/19/13/79/651191379.db2.gz MWGJKLMPUPSMJY-CQSZACIVSA-N 0 1 264.413 2.579 20 30 CFEDMN C=C(C)CN1CC[C@@H](NC(=O)c2cc(F)c(C)cc2F)C1 ZINC001014827356 651192027 /nfs/dbraw/zinc/19/20/27/651192027.db2.gz ONQOMKCPLXVODK-GFCCVEGCSA-N 0 1 294.345 2.653 20 30 CFEDMN C=CCN1CC[C@@H](NC(=O)c2cc(C3CC3)[nH]c2C2CC2)C1 ZINC001014940563 651194219 /nfs/dbraw/zinc/19/42/19/651194219.db2.gz ZRWIHOPWFZJQKC-CQSZACIVSA-N 0 1 299.418 2.760 20 30 CFEDMN CC#CCN1CC[C@H](NC(=O)Cc2cccc(C(C)C)c2)C1 ZINC001015094649 651195157 /nfs/dbraw/zinc/19/51/57/651195157.db2.gz STXNFBZTTDKMHP-SFHVURJKSA-N 0 1 298.430 2.566 20 30 CFEDMN C=CCN1CC[C@H](NC(=O)c2ccc(Cl)c(C)c2)C1 ZINC001015651564 651208005 /nfs/dbraw/zinc/20/80/05/651208005.db2.gz KDGPWZFHJSNPTB-ZDUSSCGKSA-N 0 1 278.783 2.639 20 30 CFEDMN C=CCN1CC[C@@H](NC(=O)c2ccccc2C2(C)CC2)C1 ZINC001015690727 651210019 /nfs/dbraw/zinc/21/00/19/651210019.db2.gz WYEWUQASOMHCCC-CQSZACIVSA-N 0 1 284.403 2.728 20 30 CFEDMN CC#CCN1CC[C@@H](NC(=O)CC2CCCCCC2)C1 ZINC001015760285 651212487 /nfs/dbraw/zinc/21/24/87/651212487.db2.gz PIZKIFBZBONYHZ-MRXNPFEDSA-N 0 1 276.424 2.561 20 30 CFEDMN C=C(C)CN1CC[C@@H](NC(=O)c2csc(Cl)c2)C1 ZINC001015788658 651214502 /nfs/dbraw/zinc/21/45/02/651214502.db2.gz PNBDHLHEBZPVPG-LLVKDONJSA-N 0 1 284.812 2.782 20 30 CFEDMN C=C(C)CN1CC[C@H](NC(=O)c2csc(C(C)C)n2)C1 ZINC001015856985 651216479 /nfs/dbraw/zinc/21/64/79/651216479.db2.gz BABIIKWOECNEME-LBPRGKRZSA-N 0 1 293.436 2.647 20 30 CFEDMN C=CCN1CC[C@H](NC(=O)c2cccc(C)c2Cl)C1 ZINC001015874186 651217154 /nfs/dbraw/zinc/21/71/54/651217154.db2.gz SYPTWWLUBXTIJL-LBPRGKRZSA-N 0 1 278.783 2.639 20 30 CFEDMN C=CCN1CC[C@@H](NC(=O)c2ccc3c(c2)CCC=C3)C1 ZINC001016007096 651220941 /nfs/dbraw/zinc/22/09/41/651220941.db2.gz MTTXNSRQTCZRBN-QGZVFWFLSA-N 0 1 282.387 2.636 20 30 CFEDMN C=CCN1CC[C@@H](NC(=O)c2ccc3ccccc3c2)C1 ZINC001016068163 651223546 /nfs/dbraw/zinc/22/35/46/651223546.db2.gz IVRMHGZZPGLBMA-QGZVFWFLSA-N 0 1 280.371 2.830 20 30 CFEDMN C=C(Cl)CN1CCC2(C[C@@H]2NC(=O)[C@@H]2CC2(C)C)CC1 ZINC001016577742 651238061 /nfs/dbraw/zinc/23/80/61/651238061.db2.gz YUEHIEJDRGRUIY-STQMWFEESA-N 0 1 296.842 2.756 20 30 CFEDMN C=C(Cl)CN1CCC2(C[C@@H]2NC(=O)[C@@H]2C[C@H]2CC)CC1 ZINC001016844117 651241498 /nfs/dbraw/zinc/24/14/98/651241498.db2.gz GGMJCXGPEKSFCI-MCIONIFRSA-N 0 1 296.842 2.756 20 30 CFEDMN C=C(C)CN1C[C@H]2CC[C@@H](C1)N2C(=O)C[C@H]1C=CCC1 ZINC001017345605 651250549 /nfs/dbraw/zinc/25/05/49/651250549.db2.gz YFTOEUSZFJRPQC-HRCADAONSA-N 0 1 274.408 2.594 20 30 CFEDMN C=C(C)CCN1C[C@H]2CC[C@@H](C1)N2C(=O)c1cccc(C)n1 ZINC001017360275 651250904 /nfs/dbraw/zinc/25/09/04/651250904.db2.gz IXRADWSDGOUQPY-IYBDPMFKSA-N 0 1 299.418 2.645 20 30 CFEDMN C#CCCN1C[C@H]2CC[C@@H](C1)N2C(=O)C(C)=C1CCCC1 ZINC001017465555 651252444 /nfs/dbraw/zinc/25/24/44/651252444.db2.gz MJPKEFZRWZLQJE-CALCHBBNSA-N 0 1 286.419 2.575 20 30 CFEDMN C=CCCN1C[C@H]2CC[C@@H](C1)N2C(=O)c1ccoc1CC ZINC001017522559 651253442 /nfs/dbraw/zinc/25/34/42/651253442.db2.gz CDWKTNQSYOQLSX-OKILXGFUSA-N 0 1 288.391 2.707 20 30 CFEDMN C=CCCN1C[C@H]2CC[C@@H](C1)N2C(=O)c1cccn1CC=C ZINC001017618275 651255032 /nfs/dbraw/zinc/25/50/32/651255032.db2.gz PYVNNDOVERWKPA-IYBDPMFKSA-N 0 1 299.418 2.539 20 30 CFEDMN C#CCCN1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H](C)C1CCCC1 ZINC001018166535 651266020 /nfs/dbraw/zinc/26/60/20/651266020.db2.gz TWLHBKXMXYPLDZ-BHYGNILZSA-N 0 1 288.435 2.511 20 30 CFEDMN C=C(Cl)CN[C@H]1CCN(C(=O)[C@@H]2C[C@@H]3CCCC[C@H]23)C1 ZINC001019181758 651280405 /nfs/dbraw/zinc/28/04/05/651280405.db2.gz VATSZLLWNJPNTQ-ZQDZILKHSA-N 0 1 296.842 2.756 20 30 CFEDMN C=CC(C)(C)C(=O)N1CC[C@H](NCc2ccccc2F)C1 ZINC001019238342 651281550 /nfs/dbraw/zinc/28/15/50/651281550.db2.gz XRWYVEYOGNVPEG-AWEZNQCLSA-N 0 1 290.382 2.728 20 30 CFEDMN C=C(Cl)CN[C@H]1CCN(C(=O)c2cc(C)ccc2F)C1 ZINC001019432676 651284670 /nfs/dbraw/zinc/28/46/70/651284670.db2.gz FXCLWQVCFRWKCJ-LBPRGKRZSA-N 0 1 296.773 2.691 20 30 CFEDMN CC(C)[C@H](C)C(=O)N1CC[C@H](NCc2ccccc2C#N)C1 ZINC001019457969 651285626 /nfs/dbraw/zinc/28/56/26/651285626.db2.gz BGHWNAMYXRCACG-YOEHRIQHSA-N 0 1 299.418 2.541 20 30 CFEDMN C=C(Cl)CN[C@H]1CCN(C(=O)c2cc(C)c(CC)o2)C1 ZINC001019642134 651288313 /nfs/dbraw/zinc/28/83/13/651288313.db2.gz BAVMKDVTESHUEG-LBPRGKRZSA-N 0 1 296.798 2.707 20 30 CFEDMN C=C(C)CN1CC[C@H]1CN(C)C(=O)c1ccc(F)cc1C ZINC001085937366 782207310 /nfs/dbraw/zinc/20/73/10/782207310.db2.gz DDJPOLCEBUOXHJ-HNNXBMFYSA-N 0 1 290.382 2.857 20 30 CFEDMN C#CCCN1CC[C@@H]1CN(C)C(=O)[C@@H]1CCCCC1(C)C ZINC001085991788 782230034 /nfs/dbraw/zinc/23/00/34/782230034.db2.gz VOSMIDMOVQMJBR-CVEARBPZSA-N 0 1 290.451 2.759 20 30 CFEDMN C#CCCN1CC[C@@H]1CN(C)C(=O)[C@@H]1CCCC(C)(C)C1 ZINC001085992490 782230660 /nfs/dbraw/zinc/23/06/60/782230660.db2.gz LHCDPYUZBQDTGC-HZPDHXFCSA-N 0 1 290.451 2.759 20 30 CFEDMN C#CCCN1CC[C@@H]1CN(C)C(=O)C1CC(C(C)(C)C)C1 ZINC001085996549 782231894 /nfs/dbraw/zinc/23/18/94/782231894.db2.gz QMEUUJRMHVKVOA-UYSNPLJNSA-N 0 1 290.451 2.615 20 30 CFEDMN C=CCCN1CC[C@H]1CN(C)C(=O)c1ccc(F)s1 ZINC001085997577 782234277 /nfs/dbraw/zinc/23/42/77/782234277.db2.gz XGBATUOZJZYYPP-NSHDSACASA-N 0 1 282.384 2.610 20 30 CFEDMN C=C[C@](C)(CC)C(=O)NC[C@@H]1CCN(C/C=C/Cl)C1 ZINC001266534786 770288352 /nfs/dbraw/zinc/28/83/52/770288352.db2.gz YFOIDALHFWUCHE-MTENODCZSA-N 0 1 284.831 2.779 20 30 CFEDMN C#CCN1CC[C@H](NC(=O)C2(C)C(C)(C)C2(C)C)[C@H]1CC ZINC001087850449 777723099 /nfs/dbraw/zinc/72/30/99/777723099.db2.gz FUDIOUOJCUOOGA-UONOGXRCSA-N 0 1 290.451 2.661 20 30 CFEDMN C=CC[C@@H](CCCC)Oc1[nH]c(=S)nnc1C ZINC001227599841 777857597 /nfs/dbraw/zinc/85/75/97/777857597.db2.gz AXFLFQQORLGDRT-JTQLQIEISA-N 0 1 253.371 2.982 20 30 CFEDMN Cc1nc(F)ccc1CN1[C@@H]2CC[C@H]1C[C@H](C#N)C2 ZINC001235817959 778566927 /nfs/dbraw/zinc/56/69/27/778566927.db2.gz URVCWMMSCCJSID-DEZZGGKRSA-N 0 1 259.328 2.796 20 30 CFEDMN CC#CCN1CCCC[C@@H](NC(=O)[C@@H]2CCC(C)(C)C2)C1 ZINC001034391533 780959048 /nfs/dbraw/zinc/95/90/48/780959048.db2.gz XTXKFFHSLICPIC-HZPDHXFCSA-N 0 1 290.451 2.807 20 30 CFEDMN C#CCCN1CC[C@@H](N(C)C(=O)c2cc(C)c(C)s2)C1 ZINC001033644218 780741957 /nfs/dbraw/zinc/74/19/57/780741957.db2.gz KEZKTOSTHJMHMP-CQSZACIVSA-N 0 1 290.432 2.535 20 30 CFEDMN C#CC[N@@H+]1CC[C@H](N(CC)C(=O)C2CCCCCCC2)C1 ZINC001033898460 780820080 /nfs/dbraw/zinc/82/00/80/780820080.db2.gz WCSBCYDJMUHKSC-KRWDZBQOSA-N 0 1 290.451 2.903 20 30 CFEDMN C#CCN1CC[C@H](N(CC)C(=O)C2CCCCCCC2)C1 ZINC001033898460 780820092 /nfs/dbraw/zinc/82/00/92/780820092.db2.gz WCSBCYDJMUHKSC-KRWDZBQOSA-N 0 1 290.451 2.903 20 30 CFEDMN C=CCN1CC[C@H](N(CC)C(=O)c2nccc3occc32)C1 ZINC001033903296 780820632 /nfs/dbraw/zinc/82/06/32/780820632.db2.gz GGJCZUNHTPHFQC-ZDUSSCGKSA-N 0 1 299.374 2.550 20 30 CFEDMN C=CCN1CC[C@@H](N(CC)C(=O)c2cc3ncccc3o2)C1 ZINC001033902752 780820956 /nfs/dbraw/zinc/82/09/56/780820956.db2.gz PORWAUSWYDPPGX-CYBMUJFWSA-N 0 1 299.374 2.550 20 30 CFEDMN CC#CCN1CC[C@H](N(CC)C(=O)[C@@H]2CCC(C)(C)C2)C1 ZINC001033949132 780834476 /nfs/dbraw/zinc/83/44/76/780834476.db2.gz DRUFNNNTYWYLSO-CVEARBPZSA-N 0 1 290.451 2.759 20 30 CFEDMN C[C@]1(F)CCN(CCc2ccc(C#N)cc2)C[C@H]1F ZINC001208921081 769966822 /nfs/dbraw/zinc/96/68/22/769966822.db2.gz XODQLXRWOIYFQP-CABCVRRESA-N 0 1 264.319 2.873 20 30 CFEDMN C=CCN1CC[C@H](NC(=O)[C@@H](C)CC2CCCCC2)C1 ZINC001266345867 769995265 /nfs/dbraw/zinc/99/52/65/769995265.db2.gz ZHBRNDQBQGWGMB-HOCLYGCPSA-N 0 1 278.440 2.969 20 30 CFEDMN CC#CCN(C)CCNC(=O)[C@H](C)CCC(C)(C)C ZINC001266347283 769996139 /nfs/dbraw/zinc/99/61/39/769996139.db2.gz KQMKWSGOKNRJMI-CQSZACIVSA-N 0 1 266.429 2.520 20 30 CFEDMN C=CC(C)(C)CC(=O)N[C@@H]1CC12CCN(CCF)CC2 ZINC001266370690 770042060 /nfs/dbraw/zinc/04/20/60/770042060.db2.gz JNGCXMFSNPNORQ-CYBMUJFWSA-N 0 1 282.403 2.529 20 30 CFEDMN C=C(C)C(C)(C)C(=O)N[C@H]1CC12CCN(CCF)CC2 ZINC001266377592 770050022 /nfs/dbraw/zinc/05/00/22/770050022.db2.gz ZBORSDPZGMRSIJ-ZDUSSCGKSA-N 0 1 282.403 2.529 20 30 CFEDMN C#CCN1CCC(N(CCC)C(=O)C/C=C(/C)C=C)CC1 ZINC001266389007 770063545 /nfs/dbraw/zinc/06/35/45/770063545.db2.gz ZAYOPQMZECYUAN-PXNMLYILSA-N 0 1 288.435 2.845 20 30 CFEDMN C#C[C@@H](CO)NC/C(C)=C\c1ccccc1C(F)(F)F ZINC001206838036 770076524 /nfs/dbraw/zinc/07/65/24/770076524.db2.gz KDVFKMKTVUWDAV-ZWXCPPHNSA-N 0 1 283.293 2.692 20 30 CFEDMN C=CCCCCCN1Cc2nccn2C[C@@H](COC)C1 ZINC001209422883 770077438 /nfs/dbraw/zinc/07/74/38/770077438.db2.gz JWUMTVRYEUZRDN-HNNXBMFYSA-N 0 1 277.412 2.708 20 30 CFEDMN CC#CCN(CC)CCNC(=O)[C@H]1[C@@H]2CCCCCC[C@@H]21 ZINC001266417870 770113608 /nfs/dbraw/zinc/11/36/08/770113608.db2.gz KVMOYMSXUVZVTC-FVQHAEBGSA-N 0 1 290.451 2.664 20 30 CFEDMN CC#CC[N@@H+](CC)CCNC(=O)c1ccc2ccccc2c1 ZINC001266431541 770136196 /nfs/dbraw/zinc/13/61/96/770136196.db2.gz HWMKMUHZPQKYQS-UHFFFAOYSA-N 0 1 294.398 2.915 20 30 CFEDMN CC#CCN(CC)CCNC(=O)c1ccc2ccccc2c1 ZINC001266431541 770136202 /nfs/dbraw/zinc/13/62/02/770136202.db2.gz HWMKMUHZPQKYQS-UHFFFAOYSA-N 0 1 294.398 2.915 20 30 CFEDMN C#CC[N@H+](CC[S@](=O)C(F)(F)F)C1CCCCC1 ZINC001167273420 770195187 /nfs/dbraw/zinc/19/51/87/770195187.db2.gz GBXNHLDUPIKPKD-SFHVURJKSA-N 0 1 281.343 2.523 20 30 CFEDMN CC1(C)CC(=O)CC(=Nc2noc3cccnc32)C1 ZINC001210150012 770219914 /nfs/dbraw/zinc/21/99/14/770219914.db2.gz KWENXNIJYXXLGM-UHFFFAOYSA-N 0 1 257.293 2.908 20 30 CFEDMN O=C(/C=C\c1cnc2ccccn12)c1ccc(O)cc1O ZINC000255152611 770325351 /nfs/dbraw/zinc/32/53/51/770325351.db2.gz WQTOJSCHYJYHEI-DAXSKMNVSA-N 0 1 280.283 2.642 20 30 CFEDMN C[C@H]1CC(=O)C=C(N=c2cc(Cl)[nH]cc2O)C1 ZINC001210771256 770362260 /nfs/dbraw/zinc/36/22/60/770362260.db2.gz MDUFVLUCJOPJOH-SSDOTTSWSA-N 0 1 252.701 2.735 20 30 CFEDMN CC#CCN(CCNC(=O)[C@@H]1C[C@H]1CC(C)(C)C)C1CC1 ZINC001266592218 770392684 /nfs/dbraw/zinc/39/26/84/770392684.db2.gz LBRMUOVXWRTGJK-GOEBONIOSA-N 0 1 290.451 2.663 20 30 CFEDMN Cc1cnc(F)c(Nc2cc(C#N)c(F)cc2O)c1 ZINC001211508260 770516899 /nfs/dbraw/zinc/51/68/99/770516899.db2.gz GRUMDRLSJNRHDL-UHFFFAOYSA-N 0 1 261.231 2.989 20 30 CFEDMN C=CCN1CC[C@H]2CC[C@@H](C1)N2C(=O)[C@@H](C)C1CCC1 ZINC001039392809 770560339 /nfs/dbraw/zinc/56/03/39/770560339.db2.gz GJAQIIXKQHDDRY-IMJJTQAJSA-N 0 1 276.424 2.674 20 30 CFEDMN C=CCN1CC[C@H]2CC[C@@H](C1)N2C(=O)c1ccc(CC)o1 ZINC001039395698 770564047 /nfs/dbraw/zinc/56/40/47/770564047.db2.gz GJFKHPJUJHZZNU-KGLIPLIRSA-N 0 1 288.391 2.707 20 30 CFEDMN C=C(Cl)CNCCN(C)C(=O)[C@@H]1C[C@@H]2CCCC[C@H]12 ZINC001266785454 770610685 /nfs/dbraw/zinc/61/06/85/770610685.db2.gz PUGXNBUZXDYELU-MELADBBJSA-N 0 1 284.831 2.613 20 30 CFEDMN C=C(Cl)CNCCN(C)C(=O)[C@H]1CCCC[C@H]1C ZINC001266819236 770643735 /nfs/dbraw/zinc/64/37/35/770643735.db2.gz CIAVSHWKIZQSSU-YPMHNXCESA-N 0 1 272.820 2.613 20 30 CFEDMN C=CCN1CC[C@H]2CC[C@@H](C1)N2C(=O)[C@@](C)(C=C)CC ZINC001039430006 770669584 /nfs/dbraw/zinc/66/95/84/770669584.db2.gz LFASWNXOYZEPRQ-VYDXJSESSA-N 0 1 276.424 2.840 20 30 CFEDMN C=C(Cl)CNC[C@H]1CCCCN1C(=O)C=C1CCC1 ZINC001266864481 770693653 /nfs/dbraw/zinc/69/36/53/770693653.db2.gz RUUJRSSEOLHKQG-CQSZACIVSA-N 0 1 282.815 2.820 20 30 CFEDMN C=C(Cl)CNC[C@@H]1CCCCN1C(=O)C=C1CCC1 ZINC001266864480 770693761 /nfs/dbraw/zinc/69/37/61/770693761.db2.gz RUUJRSSEOLHKQG-AWEZNQCLSA-N 0 1 282.815 2.820 20 30 CFEDMN CCC(=CC(=O)NCCNCc1ccccc1C#N)CC ZINC001125565704 770831842 /nfs/dbraw/zinc/83/18/42/770831842.db2.gz XCXNIDOYVZXFPR-UHFFFAOYSA-N 0 1 285.391 2.510 20 30 CFEDMN N#Cc1ccc(CN2CCC(c3ccncc3)CC2)cn1 ZINC001140543129 770862540 /nfs/dbraw/zinc/86/25/40/770862540.db2.gz KUHUDLHWGNEPHG-UHFFFAOYSA-N 0 1 278.359 2.728 20 30 CFEDMN CC#CCN1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H](C)CCCCCC ZINC001114991468 770971589 /nfs/dbraw/zinc/97/15/89/770971589.db2.gz DCFUIZRPYJNJSJ-NCOADZHNSA-N 0 1 290.451 2.663 20 30 CFEDMN C=C1O[C@@H](CC)C(=O)C1OCCc1ccc([N+](=O)[O-])cc1 ZINC001224334252 775160613 /nfs/dbraw/zinc/16/06/13/775160613.db2.gz UNZZJTXEZNKSRM-ZDUSSCGKSA-N 0 1 291.303 2.763 20 30 CFEDMN CC[C@H]1OC(C)=C(OCCOc2cccc(C)c2)C1=O ZINC001224411014 775177091 /nfs/dbraw/zinc/17/70/91/775177091.db2.gz XCXHSCOIHFXQCE-CQSZACIVSA-N 0 1 276.332 3.000 20 30 CFEDMN C=C(C)[C@@H]1CC=C(C)[C@H](OCCN2CCN(C)CC2)C1 ZINC001224552948 775217097 /nfs/dbraw/zinc/21/70/97/775217097.db2.gz UTUFSWUHAFCTOJ-IAGOWNOFSA-N 0 1 278.440 2.551 20 30 CFEDMN C#CCN(CCNC(=O)CC[C@H](C)c1ccccc1)C1CC1 ZINC001267333993 775218703 /nfs/dbraw/zinc/21/87/03/775218703.db2.gz UIAPLMZLHQFFCV-INIZCTEOSA-N 0 1 298.430 2.784 20 30 CFEDMN CC#CCN(CCNC(=O)c1cc(C)ccc1C)C1CC1 ZINC001267337544 775221732 /nfs/dbraw/zinc/22/17/32/775221732.db2.gz ZRBZKFXIHSPZKR-UHFFFAOYSA-N 0 1 284.403 2.521 20 30 CFEDMN CC#CCN(CCNC(=O)c1sccc1CC)C1CC1 ZINC001267337690 775222259 /nfs/dbraw/zinc/22/22/59/775222259.db2.gz FAMCNWFQJQQJRW-UHFFFAOYSA-N 0 1 290.432 2.528 20 30 CFEDMN CC#CCN(CCNC(=O)C1(C)CCC(C)CC1)C1CC1 ZINC001267338139 775223704 /nfs/dbraw/zinc/22/37/04/775223704.db2.gz QXKBMWSWYVPBLM-UHFFFAOYSA-N 0 1 290.451 2.807 20 30 CFEDMN Cc1cc(NC2CC2)nc(NCCc2ccc(C#N)cc2)n1 ZINC001167677344 775286344 /nfs/dbraw/zinc/28/63/44/775286344.db2.gz NYKIZRVTBYRSDA-UHFFFAOYSA-N 0 1 293.374 2.886 20 30 CFEDMN C=C[C@](C)(CC)C(=O)N(C)CCNCc1ncccc1C ZINC001267424352 775320658 /nfs/dbraw/zinc/32/06/58/775320658.db2.gz LOSDKVULMFIANH-QGZVFWFLSA-N 0 1 289.423 2.540 20 30 CFEDMN C=C[C@](C)(CC)C(=O)N(C)CCNCc1ccccc1C#N ZINC001267424244 775321308 /nfs/dbraw/zinc/32/13/08/775321308.db2.gz IBCSQIDKXBOHET-GOSISDBHSA-N 0 1 299.418 2.709 20 30 CFEDMN C=C/C(C)=C/CC(=O)N(CCC)[C@H]1CCN(CC#CC)C1 ZINC001267475675 775374731 /nfs/dbraw/zinc/37/47/31/775374731.db2.gz PFZHGKWKWRWZCY-NDCSFFLDSA-N 0 1 288.435 2.845 20 30 CFEDMN C#CCN[C@@H](CNC(=O)c1cccc(F)c1)c1ccccc1 ZINC001267518514 775414462 /nfs/dbraw/zinc/41/44/62/775414462.db2.gz YXBWHRCEDUSJSV-KRWDZBQOSA-N 0 1 296.345 2.520 20 30 CFEDMN C#CCN[C@@H](CNC(=O)[C@@H]1C[C@H]1C1CCC1)c1ccccc1 ZINC001267522696 775419522 /nfs/dbraw/zinc/41/95/22/775419522.db2.gz KLQVVCXQVZXPQI-KSZLIROESA-N 0 1 296.414 2.503 20 30 CFEDMN C#CCN[C@@H](CNC(=O)C1CCC=CCC1)c1ccccc1 ZINC001267525416 775422054 /nfs/dbraw/zinc/42/20/54/775422054.db2.gz LWLFIDMJBKFQTL-SFHVURJKSA-N 0 1 296.414 2.813 20 30 CFEDMN C#CCN1CCCC[C@@H]1CNC(=O)[C@@H]1CCCCC1(C)C ZINC001024818544 775429046 /nfs/dbraw/zinc/42/90/46/775429046.db2.gz YJRMHZAMGZVQQJ-CVEARBPZSA-N 0 1 290.451 2.807 20 30 CFEDMN COc1ccc(CN2CC[C@@]3(C2)CCCOC3)c(C#N)c1 ZINC001137704877 775516194 /nfs/dbraw/zinc/51/61/94/775516194.db2.gz XUJMDXKCXUUVKO-QGZVFWFLSA-N 0 1 286.375 2.569 20 30 CFEDMN C#CCN1CCC[C@@H]1[C@H]1CCCCN1C(=O)C(F)=C(C)C ZINC001025214798 775571293 /nfs/dbraw/zinc/57/12/93/775571293.db2.gz FLGCQSRCLALVJD-HUUCEWRRSA-N 0 1 292.398 2.729 20 30 CFEDMN C#CCN1CCC[C@H]1[C@H]1CCCCN1C(=O)C(F)=C(C)C ZINC001025214799 775572200 /nfs/dbraw/zinc/57/22/00/775572200.db2.gz FLGCQSRCLALVJD-LSDHHAIUSA-N 0 1 292.398 2.729 20 30 CFEDMN C#CCN1CCC[C@H]1[C@@H]1CCCCN1C(=O)C(F)=C(C)C ZINC001025214797 775572570 /nfs/dbraw/zinc/57/25/70/775572570.db2.gz FLGCQSRCLALVJD-GJZGRUSLSA-N 0 1 292.398 2.729 20 30 CFEDMN C=C(Cl)CN1CCC[C@@H]([C@@H](C)NC(=O)C2CC=CC2)C1 ZINC001025371913 775625068 /nfs/dbraw/zinc/62/50/68/775625068.db2.gz LISITBZZABFJOG-UKRRQHHQSA-N 0 1 296.842 2.922 20 30 CFEDMN C=C(Cl)CN1CCC[C@@H]([C@H](C)NC(=O)c2cc[nH]c2)C1 ZINC001025426547 775654418 /nfs/dbraw/zinc/65/44/18/775654418.db2.gz XCSGGKRQBQDCOT-GXTWGEPZSA-N 0 1 295.814 2.598 20 30 CFEDMN C#C[C@@H](CC(C)C)Oc1nc(C(F)(F)F)cc(=O)[nH]1 ZINC001225977749 775655301 /nfs/dbraw/zinc/65/53/01/775655301.db2.gz KEPVLDGVZIRRJD-QMMMGPOBSA-N 0 1 274.242 2.628 20 30 CFEDMN O/N=C/c1cccc(O[C@H]2CC(F)(F)C2(F)F)c1 ZINC001226117109 775706286 /nfs/dbraw/zinc/70/62/86/775706286.db2.gz YBNWOHAOSCRMAQ-SWEBQMAJSA-N 0 1 263.190 2.916 20 30 CFEDMN C#CC[N@@H+]1CCC[C@H]([C@@H](C)NC(=O)c2cc(C)cc(C)c2)C1 ZINC001025606405 775707175 /nfs/dbraw/zinc/70/71/75/775707175.db2.gz FOFFERWFXJKOLT-SJORKVTESA-N 0 1 298.430 2.767 20 30 CFEDMN C=C[C@@]1(C)CC[C@@H](Oc2nc(C)cc(=O)[nH]2)C(C)(C)O1 ZINC001226159588 775719948 /nfs/dbraw/zinc/71/99/48/775719948.db2.gz QZVVWOJJWRHSDL-ABAIWWIYSA-N 0 1 278.352 2.772 20 30 CFEDMN N#CCCCCN1CCS[C@H](C(F)(F)F)C1 ZINC000721442765 775732568 /nfs/dbraw/zinc/73/25/68/775732568.db2.gz UVEAYABPAPJIIA-VIFPVBQESA-N 0 1 252.305 2.660 20 30 CFEDMN C[C@@H](Oc1n[nH]c2ncccc12)c1ccccc1C#N ZINC001226304232 775774525 /nfs/dbraw/zinc/77/45/25/775774525.db2.gz BHQBOVUUAAQUID-SNVBAGLBSA-N 0 1 264.288 2.970 20 30 CFEDMN C=C(C)CN1CC(CNC(=O)[C@@H](C)c2cccc(C)c2)C1 ZINC001267693319 775782618 /nfs/dbraw/zinc/78/26/18/775782618.db2.gz ANUOZDRETKEWIP-HNNXBMFYSA-N 0 1 286.419 2.723 20 30 CFEDMN C=CCN1CC(CNC(=O)CCc2cc(Cl)cs2)C1 ZINC001267693313 775782681 /nfs/dbraw/zinc/78/26/81/775782681.db2.gz AIEKQKHBPPZSLP-UHFFFAOYSA-N 0 1 298.839 2.568 20 30 CFEDMN C=CCC1(C(=O)N2C[C@@H]3C[C@H]2CN3CC[C@H](C)F)CCC1 ZINC001267712508 775801816 /nfs/dbraw/zinc/80/18/16/775801816.db2.gz QSOIEVWQYYASGL-KKUMJFAQSA-N 0 1 294.414 2.766 20 30 CFEDMN CC(C)CN(CCC#N)C[C@@H]1CC[C@@H](C(F)(F)F)O1 ZINC000721381165 775807931 /nfs/dbraw/zinc/80/79/31/775807931.db2.gz BWMHWZZVDIIALY-RYUDHWBXSA-N 0 1 278.318 2.968 20 30 CFEDMN C#C[C@H]1CCC[C@@H]1Oc1cc(N)nc2ccccc21 ZINC001226422951 775814367 /nfs/dbraw/zinc/81/43/67/775814367.db2.gz OXPXGUPYAZVQSA-FZMZJTMJSA-N 0 1 252.317 2.998 20 30 CFEDMN C=C[C@H](C(=O)N(C)[C@@H]1CCN(CC#CC)C1)c1ccccc1 ZINC001267777446 775920440 /nfs/dbraw/zinc/92/04/40/775920440.db2.gz NRQKAVMDUQNKQG-MSOLQXFVSA-N 0 1 296.414 2.512 20 30 CFEDMN C#CCN1CC[C@H](N(C)C(=O)C/C=C\c2ccc(C)cc2)C1 ZINC001267778667 775921209 /nfs/dbraw/zinc/92/12/09/775921209.db2.gz FLPZYQKTSUPPFR-XFHJGTJQSA-N 0 1 296.414 2.564 20 30 CFEDMN C=C[C@@H](CCCCC)Oc1[nH]c(=O)nc2cnncc21 ZINC001226689325 775921455 /nfs/dbraw/zinc/92/14/55/775921455.db2.gz ZRYLTRIDFGTXSK-JTQLQIEISA-N 0 1 274.324 2.639 20 30 CFEDMN C#CCN1CCC(Nc2ccc(Cl)cc2C#N)CC1 ZINC000695673524 775922347 /nfs/dbraw/zinc/92/23/47/775922347.db2.gz IJIAUSAZSNPQTE-UHFFFAOYSA-N 0 1 273.767 2.721 20 30 CFEDMN C=CC[C@H](CCCC)Oc1[nH]c(=O)nc2cnccc21 ZINC001226976249 776043590 /nfs/dbraw/zinc/04/35/90/776043590.db2.gz JDDUOGQETCJPOH-LLVKDONJSA-N 0 1 273.336 2.832 20 30 CFEDMN N#Cc1ccc2nc(O[C@H]3C[C@H]4C=C[C@@H]3C4)[nH]c2c1 ZINC001227216095 776142577 /nfs/dbraw/zinc/14/25/77/776142577.db2.gz NIKXBLQDYFOCGO-PXWWUCIGSA-N 0 1 251.289 2.778 20 30 CFEDMN C#C[C@@H](CC(C)C)Oc1nc2ccc(C#N)cc2[nH]1 ZINC001227221202 776143585 /nfs/dbraw/zinc/14/35/85/776143585.db2.gz WXWBQSVNAJDXOH-LBPRGKRZSA-N 0 1 253.305 2.861 20 30 CFEDMN C#C[C@@H](Oc1nc2ccc(C#N)cc2[nH]1)c1ccncc1 ZINC001227221303 776143652 /nfs/dbraw/zinc/14/36/52/776143652.db2.gz XKUADPAFIIIZTO-OAHLLOKOSA-N 0 1 274.283 2.583 20 30 CFEDMN CC1(C)C[C@@H](Oc2nc3ccc(C#N)cc3[nH]2)CCO1 ZINC001227221379 776144134 /nfs/dbraw/zinc/14/41/34/776144134.db2.gz YTYKFJOYNXANKH-NSHDSACASA-N 0 1 271.320 2.771 20 30 CFEDMN C=C1O[C@@H](C)C(=O)C1Oc1nc2ccc(Cl)cc2[nH]1 ZINC001227261763 776161428 /nfs/dbraw/zinc/16/14/28/776161428.db2.gz GHJZGTLIVXGTLO-LURJTMIESA-N 0 1 278.695 2.814 20 30 CFEDMN C=CC(C)(C)CC(=O)NC[C@@H](C)CNCc1cscn1 ZINC001267987882 776163139 /nfs/dbraw/zinc/16/31/39/776163139.db2.gz HWQMTJYEHVTMMX-LBPRGKRZSA-N 0 1 295.452 2.587 20 30 CFEDMN C=CC(C)(C)CC(=O)NC[C@H](C)CNCc1cscn1 ZINC001267987880 776163924 /nfs/dbraw/zinc/16/39/24/776163924.db2.gz HWQMTJYEHVTMMX-GFCCVEGCSA-N 0 1 295.452 2.587 20 30 CFEDMN C=C(C)CN1CC[C@H](c2ccccc2)[C@H](NC(=O)CC)C1 ZINC001087416297 776214461 /nfs/dbraw/zinc/21/44/61/776214461.db2.gz ADUNJQGMQOHRNF-IAGOWNOFSA-N 0 1 286.419 2.947 20 30 CFEDMN C#C[C@H](Oc1ncnc2nc[nH]c21)[C@@H](CC)CCCC ZINC001227532608 776222600 /nfs/dbraw/zinc/22/26/00/776222600.db2.gz ZESIQMIUFKSDFI-RYUDHWBXSA-N 0 1 272.352 2.950 20 30 CFEDMN C=C[C@@H](CCCCC)Oc1[nH]c(=S)nnc1C ZINC001227599341 776237891 /nfs/dbraw/zinc/23/78/91/776237891.db2.gz ZTUPLNOCRNTZHD-JTQLQIEISA-N 0 1 253.371 2.982 20 30 CFEDMN CCCCCCCN1CC[C@H]2C[C@]21C(=O)Nc1cn[nH]c1 ZINC001277225124 776242290 /nfs/dbraw/zinc/24/22/90/776242290.db2.gz RCZFFBPWMDLSDT-XJKSGUPXSA-N 0 1 290.411 2.783 20 30 CFEDMN C=CC[C@@H](Oc1nc(=O)[nH]c2c1CO[C@H]2C)C(C)C ZINC001227715747 776268330 /nfs/dbraw/zinc/26/83/30/776268330.db2.gz FWWPBAOJYZTSAD-GXSJLCMTSA-N 0 1 264.325 2.753 20 30 CFEDMN C=C1O[C@@H](CC)C(=O)C1Oc1cc(F)c(C#N)c(F)c1 ZINC001228223331 776426872 /nfs/dbraw/zinc/42/68/72/776426872.db2.gz JGKRIOMPJRSKKK-LBPRGKRZSA-N 0 1 279.242 2.825 20 30 CFEDMN C=C(C)CN1CCC[C@H]1CNC(=O)c1ccc(C)s1 ZINC001027725273 776429676 /nfs/dbraw/zinc/42/96/76/776429676.db2.gz DSRPCSGTHIBMPK-ZDUSSCGKSA-N 0 1 278.421 2.827 20 30 CFEDMN C=CCN1CCC[C@@H]1CNC(=O)c1cccc(F)c1C ZINC001027892928 776494903 /nfs/dbraw/zinc/49/49/03/776494903.db2.gz HUGXSLBJTGFUSD-CYBMUJFWSA-N 0 1 276.355 2.514 20 30 CFEDMN C=C[C@H](C#CC(C)(C)C)Oc1[nH]c(=O)ncc1Cl ZINC001228483477 776504579 /nfs/dbraw/zinc/50/45/79/776504579.db2.gz TXAHTDNFJSTNMV-SECBINFHSA-N 0 1 266.728 2.819 20 30 CFEDMN C[C@H](CC(C)(C)S)Oc1nc(Cl)nc2nc[nH]c21 ZINC001228507821 776509973 /nfs/dbraw/zinc/50/99/73/776509973.db2.gz WDCYYOYVMZWBNX-ZCFIWIBFSA-N 0 1 286.788 2.872 20 30 CFEDMN C=C(Cl)CNC[C@H](C)N(C)C(=O)/C(C)=C/CC ZINC001268054301 776514021 /nfs/dbraw/zinc/51/40/21/776514021.db2.gz NQQIUFFHNXDBEX-PMDBQALLSA-N 0 1 258.793 2.532 20 30 CFEDMN C=CCN1CCC[C@@H]1CNC(=O)c1ccc2nc(C)oc2c1 ZINC001027949169 776523746 /nfs/dbraw/zinc/52/37/46/776523746.db2.gz QJGBZYDLXIELKY-CQSZACIVSA-N 0 1 299.374 2.516 20 30 CFEDMN CCCc1cc(C)nc(O[C@H]2CCCN(C)C2)c1C#N ZINC001228599816 776534641 /nfs/dbraw/zinc/53/46/41/776534641.db2.gz PDICQFKUEUCERS-AWEZNQCLSA-N 0 1 273.380 2.687 20 30 CFEDMN C=C[C@@H](CCC)Oc1nc(C2CC2)[nH]c(=O)c1[N+](=O)[O-] ZINC001228604854 776537064 /nfs/dbraw/zinc/53/70/64/776537064.db2.gz XEBGNVDMLFGYDA-VIFPVBQESA-N 0 1 279.296 2.701 20 30 CFEDMN C[C@@H](Oc1ccc2[nH]nnc2c1)c1ccccc1C#N ZINC001228662673 776557748 /nfs/dbraw/zinc/55/77/48/776557748.db2.gz KAYKARUUUUMCKG-SNVBAGLBSA-N 0 1 264.288 2.970 20 30 CFEDMN C=CCN1CCC[C@H]1CNC(=O)c1cc2ccsc2[nH]1 ZINC001028059916 776577243 /nfs/dbraw/zinc/57/72/43/776577243.db2.gz JMNHAJKWGCNADR-LBPRGKRZSA-N 0 1 289.404 2.610 20 30 CFEDMN C=C(C)CN1CCC[C@H]1CNC(=O)c1occc1CC ZINC001028118036 776637586 /nfs/dbraw/zinc/63/75/86/776637586.db2.gz WQOGTYMOBOGSBY-AWEZNQCLSA-N 0 1 276.380 2.612 20 30 CFEDMN C=Cc1ccc(C(=O)NC[C@H]2CCCN2CC#CC)cc1 ZINC001028157051 776668334 /nfs/dbraw/zinc/66/83/34/776668334.db2.gz WSLHDRWWQNCTDH-QGZVFWFLSA-N 0 1 282.387 2.547 20 30 CFEDMN C=C[C@H](C#CC(C)(C)C)Oc1nnc2c[nH]ccc1-2 ZINC001228994492 776682873 /nfs/dbraw/zinc/68/28/73/776682873.db2.gz DQGBCFZUDPHKMF-LLVKDONJSA-N 0 1 255.321 2.941 20 30 CFEDMN N#C[C@H](Oc1nnc2c[nH]ccc1-2)c1cccc(F)c1 ZINC001228995775 776682762 /nfs/dbraw/zinc/68/27/62/776682762.db2.gz YHFUHJJIZDWKHF-ZDUSSCGKSA-N 0 1 268.251 2.741 20 30 CFEDMN C=C[C@@](C)(CC)C(=O)NC1CCN(C/C=C/Cl)CC1 ZINC001229017488 776690300 /nfs/dbraw/zinc/69/03/00/776690300.db2.gz TYONNRFGCOOANA-PPYMECGQSA-N 0 1 284.831 2.922 20 30 CFEDMN C#CCN(C)CCN(C)C(=O)c1ccc(C(C)(C)C)cc1 ZINC001268256824 776726819 /nfs/dbraw/zinc/72/68/19/776726819.db2.gz WQSHXYPEXZGSIK-UHFFFAOYSA-N 0 1 286.419 2.621 20 30 CFEDMN C=CCN1CCC[C@@H]1CNC(=O)c1cc(C)c(CC)o1 ZINC001028257955 776763579 /nfs/dbraw/zinc/76/35/79/776763579.db2.gz JTGWKWQGJZOVHD-CYBMUJFWSA-N 0 1 276.380 2.531 20 30 CFEDMN C=CCN1CCC[C@H]1CNC(=O)c1oc(CC)cc1C ZINC001028262974 776770699 /nfs/dbraw/zinc/77/06/99/776770699.db2.gz GZJVLZBIURMRAJ-ZDUSSCGKSA-N 0 1 276.380 2.531 20 30 CFEDMN C=C(Cl)CNCCN(CC)C(=O)[C@@H]1CC=CCC1 ZINC001268434242 776805264 /nfs/dbraw/zinc/80/52/64/776805264.db2.gz AGXIXFNGOSWXON-CYBMUJFWSA-N 0 1 270.804 2.533 20 30 CFEDMN C=CCCC(=O)N(CC)CCNCc1nc(C)c(C)s1 ZINC001268441671 776809429 /nfs/dbraw/zinc/80/94/29/776809429.db2.gz ZRRCTUOORVETCL-UHFFFAOYSA-N 0 1 295.452 2.664 20 30 CFEDMN CCC#CCOC(=O)c1[nH]c(-c2cccc(OC)c2)nc1C ZINC000893840574 776823674 /nfs/dbraw/zinc/82/36/74/776823674.db2.gz CTZORBSQGLRIAJ-UHFFFAOYSA-N 0 1 298.342 2.964 20 30 CFEDMN C=C(Cl)CNCCN(CC)C(=O)[C@@H]1CC[C@@H]2C[C@@H]2C1 ZINC001268460810 776844784 /nfs/dbraw/zinc/84/47/84/776844784.db2.gz WFLPIMJVPHGBML-MGPQQGTHSA-N 0 1 284.831 2.613 20 30 CFEDMN C=C(C)CN1CC[C@H](c2cccc(F)c2)[C@H](NC(C)=O)C1 ZINC001087451587 776848566 /nfs/dbraw/zinc/84/85/66/776848566.db2.gz ZWWXRQNILHNQCQ-IAGOWNOFSA-N 0 1 290.382 2.696 20 30 CFEDMN C=CCN1CCC[C@H]1CNC(=O)C12CCC(CC1)CC2 ZINC001028326005 776855502 /nfs/dbraw/zinc/85/55/02/776855502.db2.gz JADSNHQWGCKTKO-CKDBGZEDSA-N 0 1 276.424 2.723 20 30 CFEDMN C=CCN1CCC[C@H]1CNC(=O)c1c(C)cccc1F ZINC001028347998 776867382 /nfs/dbraw/zinc/86/73/82/776867382.db2.gz IAUOPWMZUAXVLK-ZDUSSCGKSA-N 0 1 276.355 2.514 20 30 CFEDMN C=CCC[C@H](C)N1CC(NC(=O)C(C)(CC)CC)C1 ZINC001268483832 776880615 /nfs/dbraw/zinc/88/06/15/776880615.db2.gz BIAMPCKILDKNBF-ZDUSSCGKSA-N 0 1 266.429 2.968 20 30 CFEDMN CC[NH+](CC)C[C@@H](C)Oc1ccccc1/C(C)=N/[O-] ZINC001229736631 776884433 /nfs/dbraw/zinc/88/44/33/776884433.db2.gz FODTUVNEKSUKIK-SIOXIVGBSA-N 0 1 264.369 2.994 20 30 CFEDMN C#C[C@H](CCCCC)Oc1nc[nH]c(=O)c1Cl ZINC001230015003 776939704 /nfs/dbraw/zinc/93/97/04/776939704.db2.gz RWXDTIIFYMHHAG-SECBINFHSA-N 0 1 254.717 2.797 20 30 CFEDMN CC#CCN(C)C[C@@H](C)NC(=O)[C@@](C)(CC)CCC ZINC001268753252 777045698 /nfs/dbraw/zinc/04/56/98/777045698.db2.gz UAXIODKGDBMEIW-ZBFHGGJFSA-N 0 1 266.429 2.663 20 30 CFEDMN C=C(Cl)CNC/C=C\CNC(=O)c1ccc(C)cc1C ZINC001268621359 777000021 /nfs/dbraw/zinc/00/00/21/777000021.db2.gz GUXSTMZAAVSUHK-PLNGDYQASA-N 0 1 292.810 2.932 20 30 CFEDMN C=C1O[C@H](CC)C(=O)C1Oc1nnc(Cl)cc1CC ZINC001230543638 777008165 /nfs/dbraw/zinc/00/81/65/777008165.db2.gz KQCMEZYNSOAFQE-SECBINFHSA-N 0 1 282.727 2.681 20 30 CFEDMN C=CCCC(=O)N[C@@H](C)CNCc1ccc(F)cc1F ZINC001268682038 777020445 /nfs/dbraw/zinc/02/04/45/777020445.db2.gz JAAFCTBKVFSZAL-NSHDSACASA-N 0 1 282.334 2.525 20 30 CFEDMN C=C(C)C(C)(C)C(=O)N[C@@H](C)CN(C)CCC(F)(F)F ZINC001268740072 777040390 /nfs/dbraw/zinc/04/03/90/777040390.db2.gz HMCFQIONDSBRNA-NSHDSACASA-N 0 1 294.361 2.978 20 30 CFEDMN C=CCCCC(=O)NCC1CN(Cc2ccsc2)C1 ZINC001268867520 777067063 /nfs/dbraw/zinc/06/70/63/777067063.db2.gz PKWAJIMHUXBQHW-UHFFFAOYSA-N 0 1 278.421 2.652 20 30 CFEDMN C=C(C)CN1CC[C@H](NC(=O)C2(Cc3ccccc3)CC2)C1 ZINC001269034354 777090015 /nfs/dbraw/zinc/09/00/15/777090015.db2.gz VXRWHCRKTLUZFG-KRWDZBQOSA-N 0 1 298.430 2.776 20 30 CFEDMN C=C(Cl)CNC[C@H](NC(=O)CC(C)=C(C)C)C1CC1 ZINC001269104157 777101589 /nfs/dbraw/zinc/10/15/89/777101589.db2.gz MULHWKKFUBKPET-AWEZNQCLSA-N 0 1 284.831 2.970 20 30 CFEDMN C[C@@H](CC(C)(C)S)Oc1nc(Cl)nc2[nH]ncc21 ZINC001231048457 777124735 /nfs/dbraw/zinc/12/47/35/777124735.db2.gz OKPBPRHWQFIEBT-LURJTMIESA-N 0 1 286.788 2.872 20 30 CFEDMN N#CC1CC(Oc2nc3cc(Cl)nc(Cl)c3[nH]2)C1 ZINC001231048060 777125521 /nfs/dbraw/zinc/12/55/21/777125521.db2.gz FJUXYDDOUMGNSN-UHFFFAOYSA-N 0 1 283.118 2.946 20 30 CFEDMN C#CCCCCC(=O)NC[C@@H]1CCN1Cc1cccc(C)c1 ZINC001269222469 777144268 /nfs/dbraw/zinc/14/42/68/777144268.db2.gz GNYVJZZRMJKZNS-SFHVURJKSA-N 0 1 298.430 2.879 20 30 CFEDMN C=C(C)CCC(=O)N(C)[C@H]1CCN(C[C@H](F)CC)C1 ZINC001269246405 777149842 /nfs/dbraw/zinc/14/98/42/777149842.db2.gz XOPZBCNKMKWTQP-KGLIPLIRSA-N 0 1 270.392 2.624 20 30 CFEDMN CC#CCN1CC[C@@H](N(C)C(=O)C2(CCCC)CC2)C1 ZINC001269273768 777154939 /nfs/dbraw/zinc/15/49/39/777154939.db2.gz BUOAZSCQWPBFRB-OAHLLOKOSA-N 0 1 276.424 2.513 20 30 CFEDMN C=CCCC(=O)N(CC)[C@H]1CCN(C[C@@H](F)CC)C1 ZINC001269311884 777166006 /nfs/dbraw/zinc/16/60/06/777166006.db2.gz ALFONRJDGCEMAF-KBPBESRZSA-N 0 1 270.392 2.624 20 30 CFEDMN C=C(C)CN1CC[C@H]1CNC(=O)C[C@@H](C)c1ccco1 ZINC001269333012 777172479 /nfs/dbraw/zinc/17/24/79/777172479.db2.gz TVNRJJBKECQTFA-KGLIPLIRSA-N 0 1 276.380 2.540 20 30 CFEDMN C=C(C)CN1CC[C@@H]1CNC(=O)C[C@@H](C)CC(C)C ZINC001269330865 777173000 /nfs/dbraw/zinc/17/30/00/777173000.db2.gz GIBPGHYYEUMDOX-LSDHHAIUSA-N 0 1 266.429 2.825 20 30 CFEDMN C=C(C)CN1CC[C@H]1CNC(=O)C[C@H](C)c1ccco1 ZINC001269333011 777173214 /nfs/dbraw/zinc/17/32/14/777173214.db2.gz TVNRJJBKECQTFA-KBPBESRZSA-N 0 1 276.380 2.540 20 30 CFEDMN C=CCN1CC[C@@H](N(CC)C(=O)[C@@H](F)c2ccccc2)C1 ZINC001269344041 777175340 /nfs/dbraw/zinc/17/53/40/777175340.db2.gz ABVFWNQQBZREIA-CVEARBPZSA-N 0 1 290.382 2.806 20 30 CFEDMN C=C(C)CN1CC[C@H]1CN(C)C(=O)/C=C/C(C)(C)C ZINC001231256441 777179195 /nfs/dbraw/zinc/17/91/95/777179195.db2.gz WMYRPUGEEBUVRE-KGXGESDWSA-N 0 1 264.413 2.698 20 30 CFEDMN C=CC[C@@H](C=C)Oc1nc(C)cc(O)c1[N+](=O)[O-] ZINC001231262311 777180479 /nfs/dbraw/zinc/18/04/79/777180479.db2.gz FFAWNQJFGLEAFW-SECBINFHSA-N 0 1 250.254 2.513 20 30 CFEDMN C=C(C)CCC(=O)N(C)C1CN(CCC(C)C)C1 ZINC001269801155 777251602 /nfs/dbraw/zinc/25/16/02/777251602.db2.gz SOIFGQVUGBWJKG-UHFFFAOYSA-N 0 1 252.402 2.531 20 30 CFEDMN C=CCCN1CC(N(C)C(=O)CCCc2ccccc2)C1 ZINC001269844310 777257445 /nfs/dbraw/zinc/25/74/45/777257445.db2.gz YSEPYFOZPCJSDB-UHFFFAOYSA-N 0 1 286.419 2.728 20 30 CFEDMN C=C1CC(C)(C(=O)N(C)C2CN(CCCC(C)C)C2)C1 ZINC001269843988 777258603 /nfs/dbraw/zinc/25/86/03/777258603.db2.gz SLZPUNARXMCBSQ-UHFFFAOYSA-N 0 1 278.440 2.922 20 30 CFEDMN C=CCCCN1CC(N(C)C(=O)CC[C@H](C)CC)C1 ZINC001269867097 777262995 /nfs/dbraw/zinc/26/29/95/777262995.db2.gz QUDAZYJAPSBNAV-CQSZACIVSA-N 0 1 266.429 2.922 20 30 CFEDMN C=C(C)CCN1CC(N(C)C(=O)CC(C2CC2)C2CC2)C1 ZINC001269899361 777268701 /nfs/dbraw/zinc/26/87/01/777268701.db2.gz MPOMYFIVSUXVCE-UHFFFAOYSA-N 0 1 290.451 2.922 20 30 CFEDMN COc1cc(C#N)ccc1CN1CC[C@H]2CCCO[C@H]2C1 ZINC001231616765 777280572 /nfs/dbraw/zinc/28/05/72/777280572.db2.gz KJASOZQIDVEKCO-PBHICJAKSA-N 0 1 286.375 2.568 20 30 CFEDMN COc1cc(C#N)ccc1CN1CCc2cccc(O)c2C1 ZINC001231621086 777282217 /nfs/dbraw/zinc/28/22/17/777282217.db2.gz SDRKNKGYHWGPGN-UHFFFAOYSA-N 0 1 294.354 2.831 20 30 CFEDMN C#Cc1cccc(CN2CCCC[C@](O)(C(F)(F)F)C2)c1 ZINC001231657868 777296376 /nfs/dbraw/zinc/29/63/76/777296376.db2.gz NSAZQWISRJPDFE-OAHLLOKOSA-N 0 1 297.320 2.947 20 30 CFEDMN C=C(Cl)CNC[C@H]1CCCN1C(=O)/C=C\c1ccco1 ZINC001270163949 777321727 /nfs/dbraw/zinc/32/17/27/777321727.db2.gz PTZFSWLHBKFRBU-FMFIFOJESA-N 0 1 294.782 2.626 20 30 CFEDMN C[C@H]1CN(Cc2ccc(N(C)CCC#N)cc2)CCCC1=O ZINC001231818898 777342660 /nfs/dbraw/zinc/34/26/60/777342660.db2.gz QPEHIWBGHBDKGQ-HNNXBMFYSA-N 0 1 299.418 2.837 20 30 CFEDMN C[C@@H]1C[C@@H](F)CN1Cc1ccc(N(C)CCC#N)cc1 ZINC001231818052 777343437 /nfs/dbraw/zinc/34/34/37/777343437.db2.gz GXSRDIFNOBDZDO-UKRRQHHQSA-N 0 1 275.371 2.969 20 30 CFEDMN C=CCN(CC=C)Cc1ccc(N(C)C)cc1OC ZINC001231853247 777352779 /nfs/dbraw/zinc/35/27/79/777352779.db2.gz HNXTTXNQXXJTSG-UHFFFAOYSA-N 0 1 260.381 2.935 20 30 CFEDMN N#C[C@@H]1CCN(Cc2ccc3ccccc3c2O)C1 ZINC001231880858 777365186 /nfs/dbraw/zinc/36/51/86/777365186.db2.gz LWDGBJBNQJLIBP-LBPRGKRZSA-N 0 1 252.317 2.891 20 30 CFEDMN CC#CC[N@H+]1CC[C@H](CNC(=O)c2cccc(C3CC3)c2)C1 ZINC001029009998 777377302 /nfs/dbraw/zinc/37/73/02/777377302.db2.gz XVWXLBOMZDNPSZ-OAHLLOKOSA-N 0 1 296.414 2.639 20 30 CFEDMN C=CC(C)(C)C(=O)NC[C@H](C)CN[C@@H](C)c1ncc(C)o1 ZINC001270478142 777391407 /nfs/dbraw/zinc/39/14/07/777391407.db2.gz MODHCSSGDGTWJO-YPMHNXCESA-N 0 1 293.411 2.598 20 30 CFEDMN C=C(C)CCC(=O)N[C@]1(C)CCN(Cc2cccnc2)C1 ZINC001270590198 777417159 /nfs/dbraw/zinc/41/71/59/777417159.db2.gz NEUKKGDNSBMASN-QGZVFWFLSA-N 0 1 287.407 2.519 20 30 CFEDMN C=C(Cl)CNC[C@H](C1CC1)N(C)C(=O)C1CC=CC1 ZINC001277629518 777472326 /nfs/dbraw/zinc/47/23/26/777472326.db2.gz LCAZXHACRMVCEH-CQSZACIVSA-N 0 1 282.815 2.532 20 30 CFEDMN C#CC[N@H+](C)Cc1cc(Br)c(C)s1 ZINC001232294238 777509334 /nfs/dbraw/zinc/50/93/34/777509334.db2.gz XANNQWHLERDDBH-UHFFFAOYSA-N 0 1 258.184 2.884 20 30 CFEDMN C#CCN(C)Cc1cc(Br)c(C)s1 ZINC001232294238 777509337 /nfs/dbraw/zinc/50/93/37/777509337.db2.gz XANNQWHLERDDBH-UHFFFAOYSA-N 0 1 258.184 2.884 20 30 CFEDMN CC#CCN1CC2(C1)CCN(C(=O)CC(C)(C)CC)CC2 ZINC001270844917 777515973 /nfs/dbraw/zinc/51/59/73/777515973.db2.gz JCLUUGINXMIEDO-UHFFFAOYSA-N 0 1 290.451 2.760 20 30 CFEDMN C=C(C)CCC(=O)N(C)[C@@H](CNCC(=C)Cl)C1CC1 ZINC001277655443 777549479 /nfs/dbraw/zinc/54/94/79/777549479.db2.gz OODWOMSGJPQKTC-AWEZNQCLSA-N 0 1 284.831 2.922 20 30 CFEDMN C=C(C)C[N@H+](CC)Cc1n[nH]c2cccc(C(=O)OC)c21 ZINC001232439563 777559992 /nfs/dbraw/zinc/55/99/92/777559992.db2.gz JRRYERWGMYFIPL-UHFFFAOYSA-N 0 1 287.363 2.748 20 30 CFEDMN CC[N@@H+](Cc1ccccc1)Cc1cc(C#N)ccn1 ZINC001232476351 777575117 /nfs/dbraw/zinc/57/51/17/777575117.db2.gz ZRZMZUDMYVHFHI-UHFFFAOYSA-N 0 1 251.333 2.975 20 30 CFEDMN CCN(Cc1ccccc1)Cc1cc(C#N)ccn1 ZINC001232476351 777575119 /nfs/dbraw/zinc/57/51/19/777575119.db2.gz ZRZMZUDMYVHFHI-UHFFFAOYSA-N 0 1 251.333 2.975 20 30 CFEDMN N#Cc1ccnc(CN2CC[C@@H](Oc3ccccc3)C2)c1 ZINC001232480725 777575819 /nfs/dbraw/zinc/57/58/19/777575819.db2.gz IGFDCSMMNVJJGD-QGZVFWFLSA-N 0 1 279.343 2.607 20 30 CFEDMN N#Cc1ccnc(CN2CCC(c3ccccn3)CC2)c1 ZINC001232479839 777576221 /nfs/dbraw/zinc/57/62/21/777576221.db2.gz AEQHWUNMTSBUDW-UHFFFAOYSA-N 0 1 278.359 2.728 20 30 CFEDMN C=CCCC(=O)N(C)[C@@H](C)CNCc1c(F)cccc1F ZINC001270915438 777603233 /nfs/dbraw/zinc/60/32/33/777603233.db2.gz WRZNDEQGUMVPKK-LBPRGKRZSA-N 0 1 296.361 2.868 20 30 CFEDMN CC#CCN1CC[C@H](NC(=O)c2oc(C)cc2C)[C@H]1CC ZINC001087533446 777603616 /nfs/dbraw/zinc/60/36/16/777603616.db2.gz XHZIFSXLARJNTD-LSDHHAIUSA-N 0 1 288.391 2.502 20 30 CFEDMN C#CCN1CCC[C@](C)(CNC(=O)CC(C)(C)CC)C1 ZINC001270966043 777616834 /nfs/dbraw/zinc/61/68/34/777616834.db2.gz UPJBKBXSDJIYIC-QGZVFWFLSA-N 0 1 278.440 2.664 20 30 CFEDMN C=CC(C)(C)CC(=O)N(C)[C@@H](C)CNCc1ocnc1C ZINC001270974990 777617842 /nfs/dbraw/zinc/61/78/42/777617842.db2.gz BZOWCUUUZSEEBW-LBPRGKRZSA-N 0 1 293.411 2.522 20 30 CFEDMN C=C(C)CCC(=O)N(C)[C@H](C)CNCc1oc(C)nc1C ZINC001270976801 777618876 /nfs/dbraw/zinc/61/88/76/777618876.db2.gz SIRGEJOTWYQNGF-GFCCVEGCSA-N 0 1 293.411 2.584 20 30 CFEDMN N#CC[C@@H]1CCCN(Cc2cncc3cnccc32)C1 ZINC001232651489 777631119 /nfs/dbraw/zinc/63/11/19/777631119.db2.gz HGEFPTBVQPBWES-ZDUSSCGKSA-N 0 1 266.348 2.755 20 30 CFEDMN CNc1ccccc1CN1CCC2SC(=O)C=C2C1 ZINC001232668761 777635303 /nfs/dbraw/zinc/63/53/03/777635303.db2.gz PGDSMVMRDYWPKZ-CQSZACIVSA-N 0 1 274.389 2.502 20 30 CFEDMN N#Cc1ccc(O)c(CN2CCCCC(F)(F)C2)c1 ZINC001232673942 777636203 /nfs/dbraw/zinc/63/62/03/777636203.db2.gz OOESWPIUUFPCBR-UHFFFAOYSA-N 0 1 266.291 2.885 20 30 CFEDMN N#Cc1ccc([O-])c(C[N@H+]2CCC(=O)[C@@H]3CCCC[C@@H]32)c1 ZINC001232673185 777636461 /nfs/dbraw/zinc/63/64/61/777636461.db2.gz BUFGKMLTCSTNLS-CABCVRRESA-N 0 1 284.359 2.597 20 30 CFEDMN COc1ccccc1C[N@@H+](C)Cc1cc(C#N)ccc1[O-] ZINC001232677021 777638465 /nfs/dbraw/zinc/63/84/65/777638465.db2.gz WTIOMBLGZOCFRV-UHFFFAOYSA-N 0 1 282.343 2.904 20 30 CFEDMN Cc1nc2c(s1)C[N@@H+](Cc1cc(C#N)ccc1[O-])CC2 ZINC001232680089 777640027 /nfs/dbraw/zinc/64/00/27/777640027.db2.gz XQOPJEBSZHGRCV-UHFFFAOYSA-N 0 1 285.372 2.587 20 30 CFEDMN N#Cc1ccc([O-])c(C[N@H+]2CC[C@H](Oc3ccccc3)C2)c1 ZINC001232680228 777640121 /nfs/dbraw/zinc/64/01/21/777640121.db2.gz ZTRFGBPGFZJGEQ-KRWDZBQOSA-N 0 1 294.354 2.917 20 30 CFEDMN N#Cc1ccc([O-])c(C[N@H+]2CC[C@@H](c3ccccn3)C2)c1 ZINC001232680038 777640496 /nfs/dbraw/zinc/64/04/96/777640496.db2.gz XBKWKGRNFRAXRT-CQSZACIVSA-N 0 1 279.343 2.648 20 30 CFEDMN C[N@@H+](Cc1ccc2c(c1)OCO2)Cc1cc(C#N)ccc1[O-] ZINC001232678594 777640728 /nfs/dbraw/zinc/64/07/28/777640728.db2.gz JFUAIQBHPBEQDO-UHFFFAOYSA-N 0 1 296.326 2.625 20 30 CFEDMN C=C[C@H](CC)CC(=O)N(C)[C@H](C)CNCC(=C)Cl ZINC001271076759 777644293 /nfs/dbraw/zinc/64/42/93/777644293.db2.gz VTIKRKLPRTXONE-CHWSQXEVSA-N 0 1 272.820 2.778 20 30 CFEDMN C=C[C@@H](CC)CC(=O)N(C)[C@H](C)CNCC(=C)Cl ZINC001271076760 777644397 /nfs/dbraw/zinc/64/43/97/777644397.db2.gz VTIKRKLPRTXONE-OLZOCXBDSA-N 0 1 272.820 2.778 20 30 CFEDMN C=CCC[C@@H](C)N1CC(N(C)C(=O)C[C@H](C)C2CC2)C1 ZINC001277706583 777648942 /nfs/dbraw/zinc/64/89/42/777648942.db2.gz AQBUAJJTKRUVIO-UONOGXRCSA-N 0 1 278.440 2.920 20 30 CFEDMN CCCCCN1CCN(Cc2ccc(C#N)s2)CC1 ZINC001232843935 777690480 /nfs/dbraw/zinc/69/04/80/777690480.db2.gz IIQJIEXHBTYWAG-UHFFFAOYSA-N 0 1 277.437 2.928 20 30 CFEDMN N#Cc1ccc(C[N@H+]2CCCN(c3cccnc3)CC2)s1 ZINC001232844990 777691546 /nfs/dbraw/zinc/69/15/46/777691546.db2.gz ICIQMIPPFFGKPF-UHFFFAOYSA-N 0 1 298.415 2.727 20 30 CFEDMN N#Cc1ccc(CN2CCCN(c3cccnc3)CC2)s1 ZINC001232844990 777691548 /nfs/dbraw/zinc/69/15/48/777691548.db2.gz ICIQMIPPFFGKPF-UHFFFAOYSA-N 0 1 298.415 2.727 20 30 CFEDMN N#Cc1ccc(CN2CC[C@@H]3CCCO[C@@H]3C2)s1 ZINC001232844491 777692072 /nfs/dbraw/zinc/69/20/72/777692072.db2.gz RCQNQZPESWVGQE-SMDDNHRTSA-N 0 1 262.378 2.621 20 30 CFEDMN C=C1O[C@@H](CC)C(=O)C1Oc1ccc(C(=O)OC)c(F)c1 ZINC001226943367 777705138 /nfs/dbraw/zinc/70/51/38/777705138.db2.gz IZLPKUALAXUJOD-LBPRGKRZSA-N 0 1 294.278 2.601 20 30 CFEDMN CC#CCN1CC[C@H](NC(=O)c2ccc(C)cc2C)[C@H]1CC ZINC001087817236 777705667 /nfs/dbraw/zinc/70/56/67/777705667.db2.gz DLKRFAMRAAIPFL-ZWKOTPCHSA-N 0 1 298.430 2.909 20 30 CFEDMN N#C[C@H]1CN(Cc2cncc(-c3ccccc3)c2)CCC1=O ZINC001232901513 777713183 /nfs/dbraw/zinc/71/31/83/777713183.db2.gz MKEINHFCRVHVTF-KRWDZBQOSA-N 0 1 291.354 2.663 20 30 CFEDMN N#C[C@H]1CCCN(Cc2ccc(OC(F)F)nc2)CC1 ZINC001232956406 777738842 /nfs/dbraw/zinc/73/88/42/777738842.db2.gz UWBHXROPBQSXTK-NSHDSACASA-N 0 1 281.306 2.809 20 30 CFEDMN COC(=O)[C@H]1CCCN(Cc2ccc(C)cc2C#N)[C@H]1C ZINC001232967301 777742702 /nfs/dbraw/zinc/74/27/02/777742702.db2.gz HWSUBBFZKSQCGD-BBRMVZONSA-N 0 1 286.375 2.640 20 30 CFEDMN CCN(CCc1ccc(OC)cc1)Cc1[nH]ccc1C#N ZINC001233048814 777778055 /nfs/dbraw/zinc/77/80/55/777778055.db2.gz NICGSOGBKBSISA-UHFFFAOYSA-N 0 1 283.375 2.960 20 30 CFEDMN CN(C)c1ccc(CN2CCC3(CC3)C2)c(F)c1C#N ZINC001233099047 777794586 /nfs/dbraw/zinc/79/45/86/777794586.db2.gz OONCXQLCSSWUFE-UHFFFAOYSA-N 0 1 273.355 2.749 20 30 CFEDMN N#Cc1ccc(C[N@H+]2CC[C@H]3CCC[C@H]3C2)c([O-])c1 ZINC001233384508 777926297 /nfs/dbraw/zinc/92/62/97/777926297.db2.gz YCRYHRMHHJMPMH-KGLIPLIRSA-N 0 1 256.349 2.886 20 30 CFEDMN N#Cc1ccc(C[N@H+]2CCC[C@H]2Cc2ccccn2)c([O-])c1 ZINC001233386265 777926757 /nfs/dbraw/zinc/92/67/57/777926757.db2.gz MMLAUZBCBNERPK-KRWDZBQOSA-N 0 1 293.370 2.866 20 30 CFEDMN N#Cc1ccc(C[N@H+]2CC[C@@H](c3cccnc3)C2)c([O-])c1 ZINC001233386463 777928832 /nfs/dbraw/zinc/92/88/32/777928832.db2.gz VBQOVPWNAUMKGE-OAHLLOKOSA-N 0 1 279.343 2.648 20 30 CFEDMN COc1cccc(CC[N@@H+](C)Cc2ccc(C#N)cc2[O-])c1 ZINC001233386551 777928875 /nfs/dbraw/zinc/92/88/75/777928875.db2.gz YHDAZQGRMFSMTA-UHFFFAOYSA-N 0 1 296.370 2.947 20 30 CFEDMN CCC1=C(Oc2[nH]nc3c2cccc3F)C(=O)[C@H](C)O1 ZINC001233613490 778013058 /nfs/dbraw/zinc/01/30/58/778013058.db2.gz YQADHRPESRGVKZ-ZETCQYMHSA-N 0 1 276.267 2.690 20 30 CFEDMN C=C(C)CC[N@@H+]1CC[C@@H]1CN(C)C(=O)[C@@H](OCC)C(C)C ZINC001234246433 778193211 /nfs/dbraw/zinc/19/32/11/778193211.db2.gz NSMIQGJDDHFUJU-CVEARBPZSA-N 0 1 296.455 2.546 20 30 CFEDMN COc1cc(/C=C\C(C)=O)ccc1O[C@@H]1CCC[N@@H+](C)C1 ZINC001234336132 778210935 /nfs/dbraw/zinc/21/09/35/778210935.db2.gz PDNSKAMYVMJXJW-IDTUSYRASA-N 0 1 289.375 2.770 20 30 CFEDMN C=CCN1CC[C@H]1CN(C)C(=O)C[C@@H]1C[C@H]1c1ccccc1 ZINC001234385454 778216362 /nfs/dbraw/zinc/21/63/62/778216362.db2.gz NVVQSQCPAVYNNH-BZSNNMDCSA-N 0 1 298.430 2.899 20 30 CFEDMN CC(C)[C@H](C)Oc1[nH]c(=O)nc2cccc(C#N)c21 ZINC001234511127 778240797 /nfs/dbraw/zinc/24/07/97/778240797.db2.gz JUCVVLKCGMCSMN-VIFPVBQESA-N 0 1 257.293 2.630 20 30 CFEDMN C=CC[C@H](C=C)Oc1[nH]c(=O)nc2ccc(C#N)cc21 ZINC001234520305 778242466 /nfs/dbraw/zinc/24/24/66/778242466.db2.gz QCTXWQHFVQWSQP-NSHDSACASA-N 0 1 267.288 2.717 20 30 CFEDMN C=C(C)CN1CC[C@H](NC(=O)c2cc(C)cs2)[C@H]1C ZINC001088556502 778243173 /nfs/dbraw/zinc/24/31/73/778243173.db2.gz ALUIZNPPGALCIC-OLZOCXBDSA-N 0 1 278.421 2.825 20 30 CFEDMN C=CCC[C@@H](C)[N@H+]1CC[C@H]1CN(C)C(=O)c1ccns1 ZINC001234604375 778262564 /nfs/dbraw/zinc/26/25/64/778262564.db2.gz OYBRLLYXMAMWFD-OLZOCXBDSA-N 0 1 293.436 2.644 20 30 CFEDMN C=CCC[C@@H](C)N1CC[C@H]1CN(C)C(=O)c1ccns1 ZINC001234604375 778262569 /nfs/dbraw/zinc/26/25/69/778262569.db2.gz OYBRLLYXMAMWFD-OLZOCXBDSA-N 0 1 293.436 2.644 20 30 CFEDMN ON=Cc1ccccc1OC[C@@H]1COc2cscc2O1 ZINC001234820242 778302478 /nfs/dbraw/zinc/30/24/78/778302478.db2.gz SOKNFQORFOFSES-LLVKDONJSA-N 0 1 291.328 2.775 20 30 CFEDMN CC[NH+](CC)C[C@H](C)Oc1ccccc1C=N[O-] ZINC001234822696 778303365 /nfs/dbraw/zinc/30/33/65/778303365.db2.gz NISCKBHNINTYOG-LBPRGKRZSA-N 0 1 250.342 2.604 20 30 CFEDMN CC[NH+](CC)C[C@@H](C)Oc1ccccc1C=N[O-] ZINC001234822694 778303517 /nfs/dbraw/zinc/30/35/17/778303517.db2.gz NISCKBHNINTYOG-GFCCVEGCSA-N 0 1 250.342 2.604 20 30 CFEDMN N#Cc1c(O[C@@H]2CN3CCC2CC3)cnc2ccccc12 ZINC001234853749 778309986 /nfs/dbraw/zinc/30/99/86/778309986.db2.gz CCCCZGVNUHZOCM-QGZVFWFLSA-N 0 1 279.343 2.579 20 30 CFEDMN C=CCN1CC[C@H](NC(=O)c2sc(C)cc2C)[C@H]1C ZINC001088593977 778311902 /nfs/dbraw/zinc/31/19/02/778311902.db2.gz MSSQRNJKOCPRQT-OLZOCXBDSA-N 0 1 278.421 2.744 20 30 CFEDMN N#Cc1cc(N)c(Nc2ccc(O)c(F)c2F)cc1C#N ZINC001212011059 778326246 /nfs/dbraw/zinc/32/62/46/778326246.db2.gz OYMSFDFFMFENMK-UHFFFAOYSA-N 0 1 286.241 2.740 20 30 CFEDMN C=C(Cl)CN[C@@H](C)CN(C)C(=O)CC(C)=C(C)C ZINC001277906748 778326272 /nfs/dbraw/zinc/32/62/72/778326272.db2.gz FNOVTUIMXAHMMX-ZDUSSCGKSA-N 0 1 272.820 2.922 20 30 CFEDMN CC/C=C(/C)C(=O)NCCCN(C)CC#Cc1ccccc1 ZINC001234922783 778328808 /nfs/dbraw/zinc/32/88/08/778328808.db2.gz IKIAIBGINBMGPU-YVLHZVERSA-N 0 1 298.430 2.833 20 30 CFEDMN C=C1O[C@@H](C)C(=O)C1Oc1ccnc(OCC)c1Cl ZINC001234954875 778340133 /nfs/dbraw/zinc/34/01/33/778340133.db2.gz BWLWFOVHVSKUBQ-ZETCQYMHSA-N 0 1 283.711 2.732 20 30 CFEDMN C=C1O[C@H](C)C(=O)C1Oc1ccnc(OCC)c1Cl ZINC001234954872 778340160 /nfs/dbraw/zinc/34/01/60/778340160.db2.gz BWLWFOVHVSKUBQ-SSDOTTSWSA-N 0 1 283.711 2.732 20 30 CFEDMN C=CCN1C[C@@H]2CCN(C(=O)c3cscc3Cl)[C@@H]2C1 ZINC001075918468 778344246 /nfs/dbraw/zinc/34/42/46/778344246.db2.gz PVPMHRHIMAYLHR-GXFFZTMASA-N 0 1 296.823 2.734 20 30 CFEDMN C#CCN(C)Cc1ccc(Oc2cccnc2)cc1 ZINC001235118818 778389979 /nfs/dbraw/zinc/38/99/79/778389979.db2.gz GNFUYWSYXQYAII-UHFFFAOYSA-N 0 1 252.317 2.939 20 30 CFEDMN C=C[C@](C)(CC)C(=O)N(C)C[C@H](C)NCc1ocnc1C ZINC001277928497 778403536 /nfs/dbraw/zinc/40/35/36/778403536.db2.gz FZKQFDKMYUNREY-BLLLJJGKSA-N 0 1 293.411 2.522 20 30 CFEDMN CC(C)N1CC(Nc2ccc(C#N)c3[nH]ccc32)C1 ZINC001168315978 778428320 /nfs/dbraw/zinc/42/83/20/778428320.db2.gz RKEXZZVLXOCJPC-UHFFFAOYSA-N 0 1 254.337 2.544 20 30 CFEDMN N#CCc1ccccc1CN1CCC[C@@H]1c1cnccn1 ZINC001235523901 778511515 /nfs/dbraw/zinc/51/15/15/778511515.db2.gz VXQITJKEXIOUPL-QGZVFWFLSA-N 0 1 278.359 2.880 20 30 CFEDMN N#CCc1ccccc1CN1CCC[C@H]1c1cnccn1 ZINC001235523882 778511683 /nfs/dbraw/zinc/51/16/83/778511683.db2.gz VXQITJKEXIOUPL-KRWDZBQOSA-N 0 1 278.359 2.880 20 30 CFEDMN N#CCc1ccccc1CN1CC2(C1)C[C@H](F)CS2 ZINC001235527598 778512122 /nfs/dbraw/zinc/51/21/22/778512122.db2.gz KGCGJARCANRIAT-AWEZNQCLSA-N 0 1 276.380 2.782 20 30 CFEDMN C=CCC[C@H](C)[N@H+]1CC[C@H]1CN(C)C(=O)c1ccsn1 ZINC001235683252 778535570 /nfs/dbraw/zinc/53/55/70/778535570.db2.gz GBANOAIMMQMOFL-STQMWFEESA-N 0 1 293.436 2.644 20 30 CFEDMN C=CCC[C@@H](C)[N@H+]1CC[C@@H]1CN(C)C(=O)c1ccsn1 ZINC001235683246 778535859 /nfs/dbraw/zinc/53/58/59/778535859.db2.gz GBANOAIMMQMOFL-CHWSQXEVSA-N 0 1 293.436 2.644 20 30 CFEDMN C=C(C)CN1CC[C@@H]1CN(C)C(=O)C[C@H]1C=CCCC1 ZINC001235757375 778553577 /nfs/dbraw/zinc/55/35/77/778553577.db2.gz HCHIGIQCMRURDI-JKSUJKDBSA-N 0 1 276.424 2.842 20 30 CFEDMN C=CCN(C)Cc1cnc(Br)c(C)c1 ZINC001235827620 778571218 /nfs/dbraw/zinc/57/12/18/778571218.db2.gz PGATWAGIOAZJKS-UHFFFAOYSA-N 0 1 255.159 2.770 20 30 CFEDMN C=CC[N@@H+]1C[C@@H]2CCN(C(=O)c3csc(Cl)c3)[C@@H]2C1 ZINC001076324822 778583173 /nfs/dbraw/zinc/58/31/73/778583173.db2.gz BEIKFYLORZPVHM-CMPLNLGQSA-N 0 1 296.823 2.734 20 30 CFEDMN C=CCN1C[C@@H]2CCN(C(=O)c3csc(Cl)c3)[C@@H]2C1 ZINC001076324822 778583174 /nfs/dbraw/zinc/58/31/74/778583174.db2.gz BEIKFYLORZPVHM-CMPLNLGQSA-N 0 1 296.823 2.734 20 30 CFEDMN CN1CCN(c2ccc(-c3cccc(F)c3C#N)cn2)CC1 ZINC001235974787 778635546 /nfs/dbraw/zinc/63/55/46/778635546.db2.gz YYAOUVRSTWGPJD-UHFFFAOYSA-N 0 1 296.349 2.511 20 30 CFEDMN N#CCc1ncccc1-c1c(F)cc(F)c(O)c1F ZINC001236002507 778649226 /nfs/dbraw/zinc/64/92/26/778649226.db2.gz OLOAWNHILONQFQ-UHFFFAOYSA-N 0 1 264.206 2.938 20 30 CFEDMN C=C1O[C@H](CC)C(=O)C1OCCCCO[C@@H]1CCCCO1 ZINC001224916778 778745441 /nfs/dbraw/zinc/74/54/41/778745441.db2.gz YGGNCCWJZHEANJ-ZIAGYGMSSA-N 0 1 298.379 2.936 20 30 CFEDMN C=C(C)CCN1CC(NC(=O)CC2=CCCCC2)C1 ZINC001030162213 778799033 /nfs/dbraw/zinc/79/90/33/778799033.db2.gz PFEBVHSCFCCUFJ-UHFFFAOYSA-N 0 1 262.397 2.644 20 30 CFEDMN COc1ccccc1NC(=O)C(C#N)C(=O)c1occc1C ZINC000129941464 778905169 /nfs/dbraw/zinc/90/51/69/778905169.db2.gz CJIUPUURPWWPTI-NSHDSACASA-N 0 1 298.298 2.558 20 30 CFEDMN COc1ccc(CN2CCC[C@H]2C#N)c(O)c1Cl ZINC001236801072 778943358 /nfs/dbraw/zinc/94/33/58/778943358.db2.gz FFOIMUJYEFRQQW-JTQLQIEISA-N 0 1 266.728 2.542 20 30 CFEDMN N#C[C@H]1CN(Cc2nc3ccccc3cc2Cl)CCC1=O ZINC001236880683 778971178 /nfs/dbraw/zinc/97/11/78/778971178.db2.gz MBNFQGBSUXUPPQ-LBPRGKRZSA-N 0 1 299.761 2.803 20 30 CFEDMN C=C(C)CN1CC[C@H](NC(=O)c2nc(C)c(C)s2)[C@H]1C ZINC001089048230 778981878 /nfs/dbraw/zinc/98/18/78/778981878.db2.gz ZGLDJQLWZQHFAC-YPMHNXCESA-N 0 1 293.436 2.529 20 30 CFEDMN CC#CCN1CC[C@H](NC(=O)[C@H]2CCCCC2(C)C)[C@H]1C ZINC001089068271 778987327 /nfs/dbraw/zinc/98/73/27/778987327.db2.gz WELLRKACKYOPEF-OAGGEKHMSA-N 0 1 290.451 2.805 20 30 CFEDMN N#Cc1ccc2c(c1)CN(Cc1cccc(N)c1)CC2 ZINC001237216701 779049909 /nfs/dbraw/zinc/04/99/09/779049909.db2.gz IRFJHGJDFPIEBJ-UHFFFAOYSA-N 0 1 263.344 2.699 20 30 CFEDMN C#CCN1CC(C)(C)CC[C@H]1CNC(=O)[C@]1(C)C=CCC1 ZINC001099165036 779115641 /nfs/dbraw/zinc/11/56/41/779115641.db2.gz JJLPFAZRKISXPI-MAUKXSAKSA-N 0 1 288.435 2.583 20 30 CFEDMN N#Cc1ccc(O)c(NC(=O)COC2CCCCC2)c1 ZINC000176400026 779123991 /nfs/dbraw/zinc/12/39/91/779123991.db2.gz HDRBMVJYMHOHSJ-UHFFFAOYSA-N 0 1 274.320 2.552 20 30 CFEDMN CSCCCCC(=O)Nc1cc(C#N)ccc1O ZINC000176406886 779125309 /nfs/dbraw/zinc/12/53/09/779125309.db2.gz QDKTZMKLKWEZLC-UHFFFAOYSA-N 0 1 264.350 2.736 20 30 CFEDMN C[C@H]1CC[C@@H](CCC(=O)Nc2cc(C#N)ccc2O)O1 ZINC000176410144 779129605 /nfs/dbraw/zinc/12/96/05/779129605.db2.gz BMLTUJLBBGWVDK-JQWIXIFHSA-N 0 1 274.320 2.550 20 30 CFEDMN N#Cc1ccc2nc(CN3CCCCC34CC4)cn2c1 ZINC001237607548 779141528 /nfs/dbraw/zinc/14/15/28/779141528.db2.gz XMKSFGMJUSVVSM-UHFFFAOYSA-N 0 1 266.348 2.724 20 30 CFEDMN C=C(C)C[N@H+]1CC[C@](C)(NC(=O)[C@H]2CCC(F)(F)C2)C1 ZINC001046365802 779160176 /nfs/dbraw/zinc/16/01/76/779160176.db2.gz AEDZFHJNTLKBSR-JSGCOSHPSA-N 0 1 286.366 2.579 20 30 CFEDMN C[C@@H]1CC[C@H](CO)CN1Cc1cc(Cl)cc(C#N)c1 ZINC001237746398 779173655 /nfs/dbraw/zinc/17/36/55/779173655.db2.gz MHRDZHXJNDVAIE-NEPJUHHUSA-N 0 1 278.783 2.804 20 30 CFEDMN C[C@H](Cc1cccc(F)c1)NCc1ncc(C#N)s1 ZINC001168464410 779209179 /nfs/dbraw/zinc/20/91/79/779209179.db2.gz FYMNATIYDYFPIB-SNVBAGLBSA-N 0 1 275.352 2.875 20 30 CFEDMN Cc1cccc(NC(=O)C(C#N)C(=O)[C@H](C)C2CC2)c1 ZINC000176530068 779217603 /nfs/dbraw/zinc/21/76/03/779217603.db2.gz XRACNPFUVSXPTR-BXUZGUMPSA-N 0 1 270.332 2.689 20 30 CFEDMN C[C@]1(C#N)CCN(Cc2cc(F)c(O)c(Cl)c2)C1 ZINC001237991575 779222373 /nfs/dbraw/zinc/22/23/73/779222373.db2.gz BWFLYXFTJLTMCB-CYBMUJFWSA-N 0 1 268.719 2.920 20 30 CFEDMN C[C@@]1(C#N)CCN(Cc2n[nH]c3cc(Cl)ccc23)C1 ZINC001237997293 779225806 /nfs/dbraw/zinc/22/58/06/779225806.db2.gz DIZVIXBRTHIPNE-AWEZNQCLSA-N 0 1 274.755 2.952 20 30 CFEDMN N#C[C@@H]1CCN(Cc2cc(F)c(O)c(Cl)c2)C1 ZINC001237998057 779227519 /nfs/dbraw/zinc/22/75/19/779227519.db2.gz PUUGWWMTDBPLGU-QMMMGPOBSA-N 0 1 254.692 2.530 20 30 CFEDMN N#Cc1ccc(CN2CCCC[C@H](O)C2)c(Cl)c1 ZINC001238079673 779247937 /nfs/dbraw/zinc/24/79/37/779247937.db2.gz GOIVLDVMHLFWPF-ZDUSSCGKSA-N 0 1 264.756 2.558 20 30 CFEDMN C[C@@]1(O)CCCCN(Cc2ccc(C#N)cc2Cl)C1 ZINC001238079568 779248005 /nfs/dbraw/zinc/24/80/05/779248005.db2.gz DCZNONWUXRUZKH-OAHLLOKOSA-N 0 1 278.783 2.949 20 30 CFEDMN N#Cc1ccc(CN2C[C@H]3[C@H](CF)[C@H]3C2)c(Cl)c1 ZINC001238086873 779249413 /nfs/dbraw/zinc/24/94/13/779249413.db2.gz PQIBVQWZGOLCGI-XYYAHUGASA-N 0 1 264.731 2.859 20 30 CFEDMN C[C@H]1CC[C@@H](CO)N1Cc1ccc(C#N)cc1Cl ZINC001238084072 779249969 /nfs/dbraw/zinc/24/99/69/779249969.db2.gz YVVILJODBBPKEX-GWCFXTLKSA-N 0 1 264.756 2.557 20 30 CFEDMN N#CCCN(Cc1cccnc1)Cc1cccc2cncn21 ZINC001238102308 779252639 /nfs/dbraw/zinc/25/26/39/779252639.db2.gz AUMUQZHKZHICKX-UHFFFAOYSA-N 0 1 291.358 2.645 20 30 CFEDMN CCN(CCC#N)Cc1cc(Cl)c(O)cc1F ZINC001238152779 779264939 /nfs/dbraw/zinc/26/49/39/779264939.db2.gz RMMSOZIYBUPQQN-UHFFFAOYSA-N 0 1 256.708 2.920 20 30 CFEDMN N#Cc1cc(CN2C[C@H]3[C@H](CF)[C@H]3C2)ccc1Cl ZINC001238199619 779278618 /nfs/dbraw/zinc/27/86/18/779278618.db2.gz WQBRNVOFPNMBAK-XYYAHUGASA-N 0 1 264.731 2.859 20 30 CFEDMN N#C[C@H]1CCC[N@H+](Cc2ccc(F)cc2C(=O)[O-])CC1 ZINC001238236165 779287907 /nfs/dbraw/zinc/28/79/07/779287907.db2.gz QMGZXQFVXDNPNH-NSHDSACASA-N 0 1 276.311 2.650 20 30 CFEDMN C#CCN(C)Cc1cc(Br)cc(OCC)c1 ZINC001238253047 779288368 /nfs/dbraw/zinc/28/83/68/779288368.db2.gz SGKRBKDWBSRIIB-UHFFFAOYSA-N 0 1 282.181 2.913 20 30 CFEDMN COc1cc(CN(C)C2CC(F)(F)C2)ccc1C#N ZINC001238413529 779308863 /nfs/dbraw/zinc/30/88/63/779308863.db2.gz QDAMWOMQWXUASW-UHFFFAOYSA-N 0 1 266.291 2.796 20 30 CFEDMN CCc1cccc(CN2[C@@H]3CC[C@H]2C[C@H](C#N)C3)n1 ZINC001235257976 779332317 /nfs/dbraw/zinc/33/23/17/779332317.db2.gz JGYSUTLNYMNXPP-DVSIDAKKSA-N 0 1 255.365 2.911 20 30 CFEDMN CCc1cc(CN2CCC3SC(=O)C=C3C2)ccc1C#N ZINC001238760915 779384405 /nfs/dbraw/zinc/38/44/05/779384405.db2.gz QVEMEHNFCFWJSU-MRXNPFEDSA-N 0 1 298.411 2.895 20 30 CFEDMN C=C(C)CCN1CC(NC(=O)C[C@H]2CCCC[C@@H]2C)C1 ZINC001031470098 779464943 /nfs/dbraw/zinc/46/49/43/779464943.db2.gz DPRLGOTVUXKKSI-LSDHHAIUSA-N 0 1 278.440 2.969 20 30 CFEDMN CCCCCCCOC(=O)N1CCNC[C@H]1CC ZINC001239333924 779524186 /nfs/dbraw/zinc/52/41/86/779524186.db2.gz JNVGOIRPJNYNEA-CYBMUJFWSA-N 0 1 256.390 2.777 20 30 CFEDMN C=C(C)CN1CC(CNC(=O)[C@H]2CCC(C)=C(C)C2)C1 ZINC001031693497 779530459 /nfs/dbraw/zinc/53/04/59/779530459.db2.gz LCMOPANEKPUBEB-INIZCTEOSA-N 0 1 276.424 2.747 20 30 CFEDMN C=CCN1CC(CNC(=O)c2ccc(CCC)s2)C1 ZINC001031701932 779538304 /nfs/dbraw/zinc/53/83/04/779538304.db2.gz ITYLNZOVKSRNNN-UHFFFAOYSA-N 0 1 278.421 2.548 20 30 CFEDMN CC#CCN1CC(C)(C)CC[C@H]1CNC(=O)c1ccccc1 ZINC001089601995 779539206 /nfs/dbraw/zinc/53/92/06/779539206.db2.gz VALPJWRLKGJOSB-KRWDZBQOSA-N 0 1 298.430 2.930 20 30 CFEDMN C=CC[N@@H+]1CC(C)(C)CC[C@H]1CNC(=O)c1ccc(C)o1 ZINC001089606186 779543245 /nfs/dbraw/zinc/54/32/45/779543245.db2.gz XJVNOZOINCXIKN-AWEZNQCLSA-N 0 1 290.407 2.994 20 30 CFEDMN C=CCN1CC(C)(C)CC[C@H]1CNC(=O)c1ccc(C)o1 ZINC001089606186 779543252 /nfs/dbraw/zinc/54/32/52/779543252.db2.gz XJVNOZOINCXIKN-AWEZNQCLSA-N 0 1 290.407 2.994 20 30 CFEDMN C=CC[N@H+]1CC(C)(C)CC[C@H]1CNC(=O)C1CC=CC1 ZINC001089623156 779547108 /nfs/dbraw/zinc/54/71/08/779547108.db2.gz NEDBJOXLZOBTIZ-HNNXBMFYSA-N 0 1 276.424 2.745 20 30 CFEDMN CC#CCN1CC(C)(C)CC[C@H]1CNC(=O)[C@H]1CC1(C)C ZINC001089628037 779547765 /nfs/dbraw/zinc/54/77/65/779547765.db2.gz FSWOGTVFMVGTMY-LSDHHAIUSA-N 0 1 290.451 2.663 20 30 CFEDMN CC(=O)c1ccc(-c2cc3[nH]cnc3c(C#N)n2)cc1 ZINC001239628061 779673278 /nfs/dbraw/zinc/67/32/78/779673278.db2.gz QLEVDYDIMQEMNE-UHFFFAOYSA-N 0 1 262.272 2.699 20 30 CFEDMN COc1cccc(OC)c1-c1cc2[nH]cnc2c(C#N)n1 ZINC001239668889 779697966 /nfs/dbraw/zinc/69/79/66/779697966.db2.gz XAUDUBPCSNXOFX-UHFFFAOYSA-N 0 1 280.287 2.514 20 30 CFEDMN N#Cc1c(F)cc(-c2cccc3[nH]nnc32)cc1F ZINC001239927188 779864324 /nfs/dbraw/zinc/86/43/24/779864324.db2.gz AHGDJRPEPDKIGA-UHFFFAOYSA-N 0 1 256.215 2.775 20 30 CFEDMN COc1cncc(-c2nccc3[nH]cc(C#N)c32)c1 ZINC001239928829 779865422 /nfs/dbraw/zinc/86/54/22/779865422.db2.gz RDHOZJOYCYLDID-UHFFFAOYSA-N 0 1 250.261 2.505 20 30 CFEDMN C=CCCN1CCO[C@](C)(CNC(=O)C[C@@H](C)CCC)C1 ZINC001107800478 779901496 /nfs/dbraw/zinc/90/14/96/779901496.db2.gz STVNPAUIYBWSSF-DOTOQJQBSA-N 0 1 296.455 2.596 20 30 CFEDMN C=C(Cl)CNCCNC(=O)c1ccc2occc2c1 ZINC001127886055 779914968 /nfs/dbraw/zinc/91/49/68/779914968.db2.gz BVGUITCUTXHUMU-UHFFFAOYSA-N 0 1 278.739 2.505 20 30 CFEDMN C[C@@H]1CCC[C@H]1CC(=O)NCCNCC#Cc1ccccc1 ZINC001127929878 779943851 /nfs/dbraw/zinc/94/38/51/779943851.db2.gz XKVAKICTYSFOKO-AEFFLSMTSA-N 0 1 298.430 2.570 20 30 CFEDMN C=C(C)CCN1CC(N(C)C(=O)c2[nH]ccc2C2CC2)C1 ZINC001042884318 779946981 /nfs/dbraw/zinc/94/69/81/779946981.db2.gz HQRZJMWUSTZHKM-UHFFFAOYSA-N 0 1 287.407 2.615 20 30 CFEDMN C=C(C)CN1C[C@@H]2C[C@H]1CN2C(=O)[C@@H]1CCC(C)=C(C)C1 ZINC001032419943 779948325 /nfs/dbraw/zinc/94/83/25/779948325.db2.gz RSQLXOITRSWUSM-IKGGRYGDSA-N 0 1 288.435 2.984 20 30 CFEDMN C=C(C)CN1C[C@@H]2C[C@H]1CN2C(=O)[C@H]1CCC=CCCC1 ZINC001032472171 779963232 /nfs/dbraw/zinc/96/32/32/779963232.db2.gz HSLWSHIFRGODAM-ULQDDVLXSA-N 0 1 288.435 2.984 20 30 CFEDMN N#Cc1ccc(-c2cc3[nH]nnc3cc2F)cc1F ZINC001240154730 779975866 /nfs/dbraw/zinc/97/58/66/779975866.db2.gz GCOJHSLUESVWCU-UHFFFAOYSA-N 0 1 256.215 2.775 20 30 CFEDMN C=CCCN1C[C@@H]2C[C@H]1CN2C(=O)c1cccc(C(C)C)n1 ZINC001032500785 779995399 /nfs/dbraw/zinc/99/53/99/779995399.db2.gz FEQZBIOBONDJNE-GJZGRUSLSA-N 0 1 299.418 2.680 20 30 CFEDMN C=CC(C)(C)C(=O)N1C[C@@H]2C[C@H]1CN2CCc1ccccc1 ZINC001032559649 780034164 /nfs/dbraw/zinc/03/41/64/780034164.db2.gz CFGYWUUIUSZHMD-IRXDYDNUSA-N 0 1 298.430 2.726 20 30 CFEDMN C=C(C)CCN1C[C@@H]2C[C@H]1CN2C(=O)c1occc1CC ZINC001032607913 780068950 /nfs/dbraw/zinc/06/89/50/780068950.db2.gz SWWHCPZWAQKVDS-GJZGRUSLSA-N 0 1 288.391 2.707 20 30 CFEDMN C=CCC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1ccc(C(C)C)cn1 ZINC001032626259 780081897 /nfs/dbraw/zinc/08/18/97/780081897.db2.gz CFSAFBUEYCJHJP-HOTGVXAUSA-N 0 1 299.418 2.680 20 30 CFEDMN C=CCCN1C[C@@H]2C[C@H]1CN2C(=O)c1ccc(C(C)C)cn1 ZINC001032626259 780081906 /nfs/dbraw/zinc/08/19/06/780081906.db2.gz CFSAFBUEYCJHJP-HOTGVXAUSA-N 0 1 299.418 2.680 20 30 CFEDMN C=C(C)CN1C[C@@H]2C[C@H]1CN2C(=O)c1cccc2[nH]ccc21 ZINC001032642974 780108845 /nfs/dbraw/zinc/10/88/45/780108845.db2.gz LXEWHSBICCDBSY-KBPBESRZSA-N 0 1 295.386 2.643 20 30 CFEDMN N#Cc1cc(-c2ccc(/C=N/[O-])c(F)c2)cc(C2C[NH2+]C2)c1 ZINC001240360944 780114026 /nfs/dbraw/zinc/11/40/26/780114026.db2.gz QCROKCQXWFYMGU-UFFVCSGVSA-N 0 1 295.317 2.859 20 30 CFEDMN C#CCCN1C[C@@H]2C[C@H]1CN2C(=O)[C@@H](C)CC1CCCC1 ZINC001032660774 780122049 /nfs/dbraw/zinc/12/20/49/780122049.db2.gz HXANCALFPMTMGV-XIRDDKMYSA-N 0 1 288.435 2.511 20 30 CFEDMN N#CCc1cc(N[C@@H]2CCNc3ccccc32)ccn1 ZINC001168649328 780190711 /nfs/dbraw/zinc/19/07/11/780190711.db2.gz NNYQQXUVQLVBNI-MRXNPFEDSA-N 0 1 264.332 2.538 20 30 CFEDMN COc1ccc([C@@H]2C[C@@H](N3CC[C@@H](C#N)C3)CCO2)cc1 ZINC001168658607 780212247 /nfs/dbraw/zinc/21/22/47/780212247.db2.gz APLCODXYPFZHNB-QRTARXTBSA-N 0 1 286.375 2.761 20 30 CFEDMN C#CCCN1C[C@@H]2C[C@H]1CN2C(=O)C1(C)CCC(C)CC1 ZINC001032810743 780276241 /nfs/dbraw/zinc/27/62/41/780276241.db2.gz KGANOHKZMZIPPE-LPMVOBIJSA-N 0 1 288.435 2.511 20 30 CFEDMN C=CC(C)(C)CC(=O)NCCNCc1cccc(Cl)n1 ZINC001128241773 780366179 /nfs/dbraw/zinc/36/61/79/780366179.db2.gz DODKELXYVXOIGQ-UHFFFAOYSA-N 0 1 295.814 2.543 20 30 CFEDMN C=CCN1CC[C@@H](NC(=O)[C@]2(C)CCC(C)=C(C)C2)C1 ZINC001016375445 780432547 /nfs/dbraw/zinc/43/25/47/780432547.db2.gz WUHFNPNNXCKWSY-NVXWUHKLSA-N 0 1 276.424 2.890 20 30 CFEDMN COc1nc(-c2ccc(O)c(F)c2)c(F)cc1C#N ZINC001240783572 780436724 /nfs/dbraw/zinc/43/67/24/780436724.db2.gz VZXVCJCDYLQPQW-UHFFFAOYSA-N 0 1 262.215 2.613 20 30 CFEDMN CC(C)Oc1ccc(-c2cc3[nH]cnc3c(C#N)n2)cn1 ZINC001240807356 780457402 /nfs/dbraw/zinc/45/74/02/780457402.db2.gz AKLKPVYNMRJKQB-UHFFFAOYSA-N 0 1 279.303 2.679 20 30 CFEDMN CN1CCN(c2ccc(-c3ccc(CC#N)cn3)cc2)CC1 ZINC001240849700 780476591 /nfs/dbraw/zinc/47/65/91/780476591.db2.gz VKXBZGKLZSKUHK-UHFFFAOYSA-N 0 1 292.386 2.566 20 30 CFEDMN Cc1ccnc(C#N)c1-c1ccc(N2CCN(C)CC2)cc1 ZINC001240853855 780477707 /nfs/dbraw/zinc/47/77/07/780477707.db2.gz BOBVNZHDRFBTTM-UHFFFAOYSA-N 0 1 292.386 2.681 20 30 CFEDMN Cc1nccc(-c2ccc(N3CCN(C)CC3)cc2)c1C#N ZINC001240854241 780479892 /nfs/dbraw/zinc/47/98/92/780479892.db2.gz IEVINVSXTPRYDD-UHFFFAOYSA-N 0 1 292.386 2.681 20 30 CFEDMN C=C(C)CN1CC[C@@H](N(C)C(=O)c2cc(C)cs2)C1 ZINC001033064425 780552688 /nfs/dbraw/zinc/55/26/88/780552688.db2.gz OVXKHMYZCALSTO-CYBMUJFWSA-N 0 1 278.421 2.779 20 30 CFEDMN CC#CCN1CC[C@@H](N(C)C(=O)[C@H]2CCCC3(CC3)C2)C1 ZINC001033075267 780555455 /nfs/dbraw/zinc/55/54/55/780555455.db2.gz FBXXUVLZFZEVCR-JKSUJKDBSA-N 0 1 288.435 2.513 20 30 CFEDMN C=CCN1CC[C@H](N(C)C(=O)c2cccc3c2CCCC3)C1 ZINC001033105959 780565239 /nfs/dbraw/zinc/56/52/39/780565239.db2.gz KBBVGHRMZHHCMN-INIZCTEOSA-N 0 1 298.430 2.898 20 30 CFEDMN C=CCN1CCN([C@@H]2Cc3cccc(Cl)c3C2)CC1 ZINC001168735366 780570538 /nfs/dbraw/zinc/57/05/38/780570538.db2.gz RNQYTDKKKFEDHX-CQSZACIVSA-N 0 1 276.811 2.611 20 30 CFEDMN C=C(C)C[N@@H+]1CC[C@@H](N(C)C(=O)[C@@H](C)C2CCC2)C1 ZINC001033183609 780606882 /nfs/dbraw/zinc/60/68/82/780606882.db2.gz AAQOQALBQDSHSA-DZGCQCFKSA-N 0 1 264.413 2.531 20 30 CFEDMN C=C(C)C[N@@H+]1CC[C@@H](N(C)C(=O)[C@H](C)C2CCC2)C1 ZINC001033183615 780606914 /nfs/dbraw/zinc/60/69/14/780606914.db2.gz AAQOQALBQDSHSA-UKRRQHHQSA-N 0 1 264.413 2.531 20 30 CFEDMN CC#CCN1CC[C@@H](N(C)C(=O)[C@@H]2CCC=CCCC2)C1 ZINC001033184025 780608454 /nfs/dbraw/zinc/60/84/54/780608454.db2.gz MUERJMDMQHJWOY-IAGOWNOFSA-N 0 1 288.435 2.679 20 30 CFEDMN CC#CCN1CC[C@@H](N(C)C(=O)c2cc(C)sc2C)C1 ZINC001033240658 780629025 /nfs/dbraw/zinc/62/90/25/780629025.db2.gz NZHVJTJJGKRCQN-CQSZACIVSA-N 0 1 290.432 2.535 20 30 CFEDMN COc1nc(-c2c(F)cc(O)cc2F)ccc1C#N ZINC001241118210 780647769 /nfs/dbraw/zinc/64/77/69/780647769.db2.gz NUPDQDUVJTUXME-UHFFFAOYSA-N 0 1 262.215 2.613 20 30 CFEDMN C=CCN1CC[C@H](N(C)C(=O)c2cc3cc(C)ccc3[nH]2)C1 ZINC001033316946 780648621 /nfs/dbraw/zinc/64/86/21/780648621.db2.gz AZZPLQBTNCVALZ-HNNXBMFYSA-N 0 1 297.402 2.809 20 30 CFEDMN C=C(C)C[N@@H+]1CC[C@H](N(C)C(=O)C[C@@H]2CC=CCC2)C1 ZINC001033329514 780653447 /nfs/dbraw/zinc/65/34/47/780653447.db2.gz QOQDQTKDNJWONY-CVEARBPZSA-N 0 1 276.424 2.842 20 30 CFEDMN C=CCN1CC[C@H](N(C)C(=O)c2ccn(C(C)C)c2C)C1 ZINC001033349631 780664235 /nfs/dbraw/zinc/66/42/35/780664235.db2.gz GBQXYPIZRGOWBN-HNNXBMFYSA-N 0 1 289.423 2.710 20 30 CFEDMN C=CCN1CC[C@H](N(C)C(=O)c2occc2C(C)C)C1 ZINC001033366374 780665620 /nfs/dbraw/zinc/66/56/20/780665620.db2.gz WJBJUJDRVPYXRC-ZDUSSCGKSA-N 0 1 276.380 2.735 20 30 CFEDMN C=CCN1CC[C@H](N(C)C(=O)c2c(C)cccc2C)C1 ZINC001033443787 780683876 /nfs/dbraw/zinc/68/38/76/780683876.db2.gz QXQOSFOELQWMTI-HNNXBMFYSA-N 0 1 272.392 2.636 20 30 CFEDMN CC#CCN1CC[C@H](N(C)C(=O)[C@@H](C)c2cccc(C)c2)C1 ZINC001033464646 780690025 /nfs/dbraw/zinc/69/00/25/780690025.db2.gz AYIYKEPUTHDXNL-WMZOPIPTSA-N 0 1 298.430 2.655 20 30 CFEDMN C=CCN1CC[C@@H](N(C)C(=O)C23CCC(CC2)C3(C)C)C1 ZINC001033488690 780694108 /nfs/dbraw/zinc/69/41/08/780694108.db2.gz XRAHOJRVTGFNMT-SWKXRBFHSA-N 0 1 290.451 2.922 20 30 CFEDMN CCOC(=O)c1cc2cc(-c3ccnc(C#N)c3)cnc2[nH]1 ZINC001241195438 780697614 /nfs/dbraw/zinc/69/76/14/780697614.db2.gz CNLHDOQUYHACSU-UHFFFAOYSA-N 0 1 292.298 2.673 20 30 CFEDMN C=CCN1CC[C@@H](N(C)C(=O)c2ccc3c(c2)C=CCC3)C1 ZINC001033499351 780698723 /nfs/dbraw/zinc/69/87/23/780698723.db2.gz IHCSLDGPPGAVGM-GOSISDBHSA-N 0 1 296.414 2.978 20 30 CFEDMN C=C(C)CN1CC[C@H](N(C)C(=O)c2ncoc2C(C)C)C1 ZINC001033555780 780713851 /nfs/dbraw/zinc/71/38/51/780713851.db2.gz BHJSYLFVKDIAMX-ZDUSSCGKSA-N 0 1 291.395 2.520 20 30 CFEDMN C=CCN1CC[C@@H](N(C)C(=O)[C@@H](C)C2CCCC2)C1 ZINC001033574994 780716775 /nfs/dbraw/zinc/71/67/75/780716775.db2.gz OKUKRHYOFXXHNF-DZGCQCFKSA-N 0 1 264.413 2.531 20 30 CFEDMN C=CCN1CC[C@@H](N(C)C(=O)[C@H](C)C2CCCC2)C1 ZINC001033574996 780717228 /nfs/dbraw/zinc/71/72/28/780717228.db2.gz OKUKRHYOFXXHNF-UKRRQHHQSA-N 0 1 264.413 2.531 20 30 CFEDMN C=CCN1CC[C@@H](N(C)C(=O)[C@H](C)c2ccccc2)C1 ZINC001033595869 780720935 /nfs/dbraw/zinc/72/09/35/780720935.db2.gz HTSZAZZTYAIMGX-GDBMZVCRSA-N 0 1 272.392 2.509 20 30 CFEDMN CC#CCN1CC[C@H](N(C)C(=O)[C@H]2CC[C@H](CC)CC2)C1 ZINC001033600668 780724554 /nfs/dbraw/zinc/72/45/54/780724554.db2.gz GUOUWXJANMFUPJ-ULQDDVLXSA-N 0 1 290.451 2.759 20 30 CFEDMN C=CCN1CC[C@@H](N(C)C(=O)c2cccc(C(F)F)c2)C1 ZINC001033601445 780725502 /nfs/dbraw/zinc/72/55/02/780725502.db2.gz OATSTNXYVDZYBS-CQSZACIVSA-N 0 1 294.345 2.957 20 30 CFEDMN C=CCN1CC[C@H](N(C)C(=O)c2ccc(C(F)F)o2)C1 ZINC001033621563 780731847 /nfs/dbraw/zinc/73/18/47/780731847.db2.gz AKKBNNRWSDSAFW-JTQLQIEISA-N 0 1 284.306 2.550 20 30 CFEDMN C=CCN1CC[C@@H](N(C)C(=O)c2ccc(CC)cc2)C1 ZINC001033630812 780736205 /nfs/dbraw/zinc/73/62/05/780736205.db2.gz KNYNOCZYTGSVMG-MRXNPFEDSA-N 0 1 272.392 2.581 20 30 CFEDMN COC(OC)c1c(C#N)ccnc1-c1cc(O)cc(F)c1 ZINC001241263002 780742509 /nfs/dbraw/zinc/74/25/09/780742509.db2.gz VTNMVXSVXCIFDQ-UHFFFAOYSA-N 0 1 288.278 2.756 20 30 CFEDMN C=CCN1CC[C@@H](N(C)C(=O)[C@@H](C)c2cccc(F)c2)C1 ZINC001033679206 780747296 /nfs/dbraw/zinc/74/72/96/780747296.db2.gz JWLBOEBUGBSBTE-XJKSGUPXSA-N 0 1 290.382 2.648 20 30 CFEDMN C=CCN1CC[C@H](N(C)C(=O)[C@H]2CC3CCC2CC3)C1 ZINC001033689565 780754003 /nfs/dbraw/zinc/75/40/03/780754003.db2.gz CPLUIIHUYZYUAG-CKUJCDMFSA-N 0 1 276.424 2.531 20 30 CFEDMN C=CCN1CC[C@H](N(C)C(=O)C2(C)C(C)(C)C2(C)C)C1 ZINC001033711833 780757884 /nfs/dbraw/zinc/75/78/84/780757884.db2.gz DFFVHKVDZPAALT-ZDUSSCGKSA-N 0 1 278.440 2.777 20 30 CFEDMN C=CCN1CC[C@@H](N(C)C(=O)c2coc3ccccc32)C1 ZINC001033709867 780757805 /nfs/dbraw/zinc/75/78/05/780757805.db2.gz KWQMQUJWWQGJSA-CYBMUJFWSA-N 0 1 284.359 2.765 20 30 CFEDMN C#CCCN1CC[C@@H](N(CC)C(=O)c2sccc2C)C1 ZINC001033732508 780767910 /nfs/dbraw/zinc/76/79/10/780767910.db2.gz KAZNPWZASMKLEY-CQSZACIVSA-N 0 1 290.432 2.616 20 30 CFEDMN C#CCN1CC[C@@H](N(C)C(=O)c2ccc(CC)c(CC)c2)C1 ZINC001033731047 780768335 /nfs/dbraw/zinc/76/83/35/780768335.db2.gz WSNHHWIJHAMYSR-GOSISDBHSA-N 0 1 298.430 2.591 20 30 CFEDMN CN1CC=C(c2ccc(C(F)(F)F)c(C#N)n2)CC1 ZINC001241307604 780770849 /nfs/dbraw/zinc/77/08/49/780770849.db2.gz CXPRJQXEVMONLG-UHFFFAOYSA-N 0 1 267.254 2.691 20 30 CFEDMN C=CCN1CC[C@@H](N(CC)C(=O)C2C(C)(C)C2(C)C)C1 ZINC001033793130 780790704 /nfs/dbraw/zinc/79/07/04/780790704.db2.gz YMEPGFDEOHUJPJ-CYBMUJFWSA-N 0 1 278.440 2.777 20 30 CFEDMN CC#CCN1CCC(N(C)C(=O)c2ccsc2C)CC1 ZINC001005365394 780792339 /nfs/dbraw/zinc/79/23/39/780792339.db2.gz MHPPWKFCSRAZIK-UHFFFAOYSA-N 0 1 290.432 2.616 20 30 CFEDMN C=C(C)CN1CC[C@H](N(CC)C(=O)c2coc(C)c2)C1 ZINC001033805108 780796488 /nfs/dbraw/zinc/79/64/88/780796488.db2.gz PSNQRXJFYZABBV-HNNXBMFYSA-N 0 1 276.380 2.701 20 30 CFEDMN C=CCN1CC[C@H](N(CC)C(=O)c2ccsc2C)C1 ZINC001033830070 780800609 /nfs/dbraw/zinc/80/06/09/780800609.db2.gz NIOXDDMDXIKROU-ZDUSSCGKSA-N 0 1 278.421 2.779 20 30 CFEDMN C=CC[N@@H+]1CC[C@@H](N(CC)C(=O)[C@H]2CCCC23CC3)C1 ZINC001033869052 780814112 /nfs/dbraw/zinc/81/41/12/780814112.db2.gz KKYXRKSYMAYRHL-HUUCEWRRSA-N 0 1 276.424 2.676 20 30 CFEDMN C=CCN1CC[C@@H](N(CC)C(=O)[C@H]2CCCC23CC3)C1 ZINC001033869052 780814118 /nfs/dbraw/zinc/81/41/18/780814118.db2.gz KKYXRKSYMAYRHL-HUUCEWRRSA-N 0 1 276.424 2.676 20 30 CFEDMN C=CCN1CC[C@@H](N(CC)C(=O)[C@@H]2C[C@@H]3CCCC[C@H]23)C1 ZINC001033905635 780822363 /nfs/dbraw/zinc/82/23/63/780822363.db2.gz HHIJSYLSOUMMKK-VVLHAWIVSA-N 0 1 290.451 2.922 20 30 CFEDMN C=CCN1CC[C@H](N(CC)C(=O)[C@@H]2C[C@@H]3CCCC[C@H]23)C1 ZINC001033905634 780823285 /nfs/dbraw/zinc/82/32/85/780823285.db2.gz HHIJSYLSOUMMKK-LUKYLMHMSA-N 0 1 290.451 2.922 20 30 CFEDMN C=CCN1CC[C@H](N(CC)C(=O)[C@H]2CCC(C)(C)C2)C1 ZINC001033945021 780837601 /nfs/dbraw/zinc/83/76/01/780837601.db2.gz WFYGLZGRFNBFDO-GJZGRUSLSA-N 0 1 278.440 2.922 20 30 CFEDMN C=CC[N@@H+]1CC[C@H](N(CC)C(=O)c2cccc(F)c2F)C1 ZINC001033938559 780839367 /nfs/dbraw/zinc/83/93/67/780839367.db2.gz YLTGDKUETFCAER-LBPRGKRZSA-N 0 1 294.345 2.687 20 30 CFEDMN C=CCN1CC[C@H](N(CC)C(=O)c2cccc(F)c2F)C1 ZINC001033938559 780839370 /nfs/dbraw/zinc/83/93/70/780839370.db2.gz YLTGDKUETFCAER-LBPRGKRZSA-N 0 1 294.345 2.687 20 30 CFEDMN COc1cc(C#N)ccc1-c1cc2[nH]cnc2cn1 ZINC001241388161 780843110 /nfs/dbraw/zinc/84/31/10/780843110.db2.gz ZGQGWCKAAKRARG-UHFFFAOYSA-N 0 1 250.261 2.505 20 30 CFEDMN C=CCN1CCCC[C@H](NC(=O)c2sccc2C)C1 ZINC001034076301 780879217 /nfs/dbraw/zinc/87/92/17/780879217.db2.gz NFYXUCYFLOYHTM-ZDUSSCGKSA-N 0 1 278.421 2.827 20 30 CFEDMN CCOC(=O)c1nc2ccc(-c3ccc(C#N)nc3)cc2[nH]1 ZINC001241435110 780881666 /nfs/dbraw/zinc/88/16/66/780881666.db2.gz RCMHURYGIVAZQM-UHFFFAOYSA-N 0 1 292.298 2.673 20 30 CFEDMN C=C(C)CN1CCCC[C@@H](NC(=O)c2cccs2)C1 ZINC001034084233 780888027 /nfs/dbraw/zinc/88/80/27/780888027.db2.gz IOPOHTUMLFDUAW-CYBMUJFWSA-N 0 1 278.421 2.909 20 30 CFEDMN C=C(Cl)CNCCNC(=O)c1ccccc1C(C)C ZINC001128864386 780914344 /nfs/dbraw/zinc/91/43/44/780914344.db2.gz ADLACBBVQVHDIN-UHFFFAOYSA-N 0 1 280.799 2.882 20 30 CFEDMN C#CCN1CCCC[C@H](NC(=O)[C@H]2CCCC3(CC3)C2)C1 ZINC001034203273 780920549 /nfs/dbraw/zinc/92/05/49/780920549.db2.gz CVPDVRNGIWKVJE-HOTGVXAUSA-N 0 1 288.435 2.561 20 30 CFEDMN CC#CCN1CCCC[C@@H](NC(=O)c2c(C)coc2C)C1 ZINC001034202012 780923463 /nfs/dbraw/zinc/92/34/63/780923463.db2.gz ONYZPSSUBZOQJK-OAHLLOKOSA-N 0 1 288.391 2.504 20 30 CFEDMN CC#CCN1CCCC[C@@H](NC(=O)C2CC3(CCC3)C2)C1 ZINC001034352188 780954530 /nfs/dbraw/zinc/95/45/30/780954530.db2.gz RCDVYBGQAOHTMQ-MRXNPFEDSA-N 0 1 288.435 2.561 20 30 CFEDMN C=C(C)C[N@H+]1CCCC[C@H](NC(=O)c2ccc(Cl)[nH]2)C1 ZINC001034379675 780960678 /nfs/dbraw/zinc/96/06/78/780960678.db2.gz FRNGATBGTORSDC-LBPRGKRZSA-N 0 1 295.814 2.829 20 30 CFEDMN C=CCN1CCCC[C@@H](NC(=O)c2occc2Cl)C1 ZINC001034386506 780962247 /nfs/dbraw/zinc/96/22/47/780962247.db2.gz DCQGSBUMMRNMLK-LLVKDONJSA-N 0 1 282.771 2.703 20 30 CFEDMN CC#CCN1CCCC[C@H](NC(=O)[C@]23C[C@H]2CCCC3)C1 ZINC001034390185 780964201 /nfs/dbraw/zinc/96/42/01/780964201.db2.gz PRIOHPMZOITMLS-SOLBZPMBSA-N 0 1 288.435 2.561 20 30 CFEDMN CC#CCN1CCCC[C@H](NC(=O)c2c(C)cccc2C)C1 ZINC001034410587 780969279 /nfs/dbraw/zinc/96/92/79/780969279.db2.gz DUGFDURZGKBJAO-KRWDZBQOSA-N 0 1 298.430 2.911 20 30 CFEDMN C#CCN1CCCC[C@@H](NC(=O)C23CCC(CC2)CC3)C1 ZINC001034531359 780992322 /nfs/dbraw/zinc/99/23/22/780992322.db2.gz GNUCXBDIVGXLII-UPTPFMHGSA-N 0 1 288.435 2.561 20 30 CFEDMN CC#CCN1CCCC[C@H](NC(=O)c2ccc(C)cc2C)C1 ZINC001034520319 780992986 /nfs/dbraw/zinc/99/29/86/780992986.db2.gz VFFGXWNKQBCCGS-KRWDZBQOSA-N 0 1 298.430 2.911 20 30 CFEDMN C#CCN1CCCC[C@@H](NC(=O)c2ccoc2C(C)C)C1 ZINC001034546165 780997472 /nfs/dbraw/zinc/99/74/72/780997472.db2.gz HTRRVPIGJAHERO-CQSZACIVSA-N 0 1 288.391 2.621 20 30 CFEDMN C=CC[C@H]1CCCN(c2ccc(C(=O)[O-])c(C)[nH+]2)C1 ZINC000703637282 781043482 /nfs/dbraw/zinc/04/34/82/781043482.db2.gz BIKLCPGNZTYNEH-LBPRGKRZSA-N 0 1 260.337 2.881 20 30 CFEDMN C=C(C)C[C@H](C)C(=O)NC[C@@]1(C)CN(CCCC)CCO1 ZINC001108147600 781045210 /nfs/dbraw/zinc/04/52/10/781045210.db2.gz ANDQEGCDDITHOU-RDJZCZTQSA-N 0 1 296.455 2.596 20 30 CFEDMN C=CC[C@H]1CCC[N@H+](Cc2cccc(C(=O)[O-])n2)C1 ZINC000703663339 781045714 /nfs/dbraw/zinc/04/57/14/781045714.db2.gz JNLHUFFUUPLQJA-LBPRGKRZSA-N 0 1 260.337 2.568 20 30 CFEDMN COc1cc(C#N)nc(-c2ccc3[nH]cnc3c2)c1 ZINC001241686339 781071470 /nfs/dbraw/zinc/07/14/70/781071470.db2.gz ZTOWJRJALKSKQJ-UHFFFAOYSA-N 0 1 250.261 2.505 20 30 CFEDMN Cc1cnc(-c2ccc3[nH]cnc3c2)c(C=NO)c1 ZINC001241688082 781073041 /nfs/dbraw/zinc/07/30/41/781073041.db2.gz KGIWYKFDYCBLLQ-CNHKJKLMSA-N 0 1 252.277 2.741 20 30 CFEDMN C=CCNC(=O)c1ccc(-c2ccc3[nH]cnc3c2)nc1 ZINC001241692624 781076587 /nfs/dbraw/zinc/07/65/87/781076587.db2.gz PBQKNFREKVNUQG-UHFFFAOYSA-N 0 1 278.315 2.541 20 30 CFEDMN C=CCN1CC2(C1)CCN(C(=O)c1ccccc1CC)CC2 ZINC001035779475 781167378 /nfs/dbraw/zinc/16/73/78/781167378.db2.gz XPNFKJZEEZTYRY-UHFFFAOYSA-N 0 1 298.430 2.973 20 30 CFEDMN C=CCN1CC2(C1)CCN(C(=O)C1(C(C)C)CC1)CC2 ZINC001035788035 781169630 /nfs/dbraw/zinc/16/96/30/781169630.db2.gz BSJCZDTYSZXFCH-UHFFFAOYSA-N 0 1 276.424 2.533 20 30 CFEDMN C=CCN1CC2(C1)CCN(C(=O)c1occc1Cl)CC2 ZINC001035787718 781169934 /nfs/dbraw/zinc/16/99/34/781169934.db2.gz SEJCSNZIGQHSRD-UHFFFAOYSA-N 0 1 294.782 2.657 20 30 CFEDMN C=CCN1CC2(C1)CCN(C(=O)C1CC3(CCC3)C1)CC2 ZINC001035776036 781170861 /nfs/dbraw/zinc/17/08/61/781170861.db2.gz FAOPTOMPDHJPSP-UHFFFAOYSA-N 0 1 288.435 2.677 20 30 CFEDMN C=CCN1CC2(C1)CCN(C(=O)c1cc[nH]c1C1CC1)CC2 ZINC001035779173 781172247 /nfs/dbraw/zinc/17/22/47/781172247.db2.gz UEFLKRKPNKNODT-UHFFFAOYSA-N 0 1 299.418 2.616 20 30 CFEDMN N#Cc1cc(C(F)(F)F)cc(-c2ccc3nn[nH]c3c2)n1 ZINC001241937680 781190541 /nfs/dbraw/zinc/19/05/41/781190541.db2.gz BTGVMCVFYDTERS-UHFFFAOYSA-N 0 1 289.220 2.910 20 30 CFEDMN Cc1cc(F)cc(-c2ccc3[nH]nnc3c2)c1C#N ZINC001241940261 781193094 /nfs/dbraw/zinc/19/30/94/781193094.db2.gz AOIFNELENUUJQK-UHFFFAOYSA-N 0 1 252.252 2.944 20 30 CFEDMN Cc1cc(F)cc(-c2ccc3nn[nH]c3c2)c1C#N ZINC001241940261 781193098 /nfs/dbraw/zinc/19/30/98/781193098.db2.gz AOIFNELENUUJQK-UHFFFAOYSA-N 0 1 252.252 2.944 20 30 CFEDMN N#Cc1c[nH]c2ncc(-c3ccc(F)cc3O)cc12 ZINC001242218719 781332954 /nfs/dbraw/zinc/33/29/54/781332954.db2.gz MWGAASSPARJHGQ-UHFFFAOYSA-N 0 1 253.236 2.946 20 30 CFEDMN C=C(Cl)CN1CC[C@H]2CN(C(=O)C=C(C)C)CC[C@@H]21 ZINC001036626707 781345283 /nfs/dbraw/zinc/34/52/83/781345283.db2.gz BNFBUJLHVHWFCR-KBPBESRZSA-N 0 1 282.815 2.628 20 30 CFEDMN CN(C)Cc1ccc(-c2cncc(C#N)c2)cc1F ZINC001242275495 781358007 /nfs/dbraw/zinc/35/80/07/781358007.db2.gz KIZOIXKMNKDDCC-UHFFFAOYSA-N 0 1 255.296 2.821 20 30 CFEDMN Cc1cc2n[nH]cc2cc1-c1cc2[nH]cnc2c(C#N)n1 ZINC001242281392 781362699 /nfs/dbraw/zinc/36/26/99/781362699.db2.gz LRYPIOKSBZRPEB-UHFFFAOYSA-N 0 1 274.287 2.681 20 30 CFEDMN COc1cccc(-c2cncc3nc[nH]c32)c1C#N ZINC001242298959 781379412 /nfs/dbraw/zinc/37/94/12/781379412.db2.gz WVMJXQAWKPBBJS-UHFFFAOYSA-N 0 1 250.261 2.505 20 30 CFEDMN CCOC(=O)c1cc2ccc(-c3cccnc3C#N)[nH]c-2n1 ZINC001242308974 781386533 /nfs/dbraw/zinc/38/65/33/781386533.db2.gz MXUZUPKJBSQSKI-UHFFFAOYSA-N 0 1 292.298 2.673 20 30 CFEDMN C=C(Cl)CN1CC[C@@H]2CN(C(=O)/C(C)=C/C)CC[C@H]21 ZINC001036680903 781408120 /nfs/dbraw/zinc/40/81/20/781408120.db2.gz FESGGRLKKSSZHU-BAXJGOPVSA-N 0 1 282.815 2.628 20 30 CFEDMN C=C(Cl)CN1CC[C@@H]2CN(C(=O)/C(C)=C/C)CC[C@@H]21 ZINC001036680904 781408560 /nfs/dbraw/zinc/40/85/60/781408560.db2.gz FESGGRLKKSSZHU-BNIVGTFYSA-N 0 1 282.815 2.628 20 30 CFEDMN C=CCCCC(=O)NC[C@@]1(C)CN(CCC(=C)C)CCO1 ZINC001108169147 781409497 /nfs/dbraw/zinc/40/94/97/781409497.db2.gz LGFXXXDFATVFSH-KRWDZBQOSA-N 0 1 294.439 2.516 20 30 CFEDMN N#Cc1cnc2ccc(-c3cccc(F)c3O)cn12 ZINC001242352183 781425337 /nfs/dbraw/zinc/42/53/37/781425337.db2.gz PYQCYLNIDKUQQX-UHFFFAOYSA-N 0 1 253.236 2.718 20 30 CFEDMN COc1c(F)cccc1-c1cc2[nH]cnc2c(C#N)n1 ZINC001242481220 781534745 /nfs/dbraw/zinc/53/47/45/781534745.db2.gz BTSDUQYRVMVGQR-UHFFFAOYSA-N 0 1 268.251 2.644 20 30 CFEDMN N#Cc1cc(-c2cccc3c2C[NH2+]CC3)ccc1[O-] ZINC001242565195 781603937 /nfs/dbraw/zinc/60/39/37/781603937.db2.gz QCRDBTXCQJNOKD-UHFFFAOYSA-N 0 1 250.301 2.577 20 30 CFEDMN C#CCN1C[C@@H](C)[C@H](NC(=O)c2cc(C)ccc2C2CC2)C1 ZINC001080189921 781639113 /nfs/dbraw/zinc/63/91/13/781639113.db2.gz SVSSAINZZRFTKP-RDTXWAMCSA-N 0 1 296.414 2.556 20 30 CFEDMN C=CCN1C[C@@H](C)[C@H](NC(=O)c2cccc(C)c2Cl)C1 ZINC001080641624 781673187 /nfs/dbraw/zinc/67/31/87/781673187.db2.gz OAPUIHUDLUWJPK-TZMCWYRMSA-N 0 1 292.810 2.885 20 30 CFEDMN CC#CCN1C[C@@H](C)[C@H](NC(=O)c2cccc(C3CC3)c2)C1 ZINC001081014074 781690460 /nfs/dbraw/zinc/69/04/60/781690460.db2.gz RINUSUNPRUEYSZ-RDTXWAMCSA-N 0 1 296.414 2.637 20 30 CFEDMN C#CCN1C[C@@H](C)[C@H](NC(=O)[C@@]2(C)CCC(C)=C(C)C2)C1 ZINC001081020130 781695918 /nfs/dbraw/zinc/69/59/18/781695918.db2.gz SLNFTLXHQVYHSC-NUJGCVRESA-N 0 1 288.435 2.583 20 30 CFEDMN C=C(Cl)CN[C@@H]1CN(C(=O)C[C@@H]2C[C@H]2C2CC2)C[C@H]1C ZINC001082653250 781735413 /nfs/dbraw/zinc/73/54/13/781735413.db2.gz CBNPVPBHEKBPTD-SDJAHQOYSA-N 0 1 296.842 2.612 20 30 CFEDMN C=C(Cl)CN[C@@H]1CN(C(=O)[C@@]23C[C@@H]2CCCC3)C[C@H]1C ZINC001082727641 781741070 /nfs/dbraw/zinc/74/10/70/781741070.db2.gz IOHDFFIYWRRYOM-UJDVCPFMSA-N 0 1 296.842 2.756 20 30 CFEDMN C#CCN1CC(C)(C)CC[C@@H]1CNC(=O)C[C@H]1C=CCC1 ZINC001098887589 781749327 /nfs/dbraw/zinc/74/93/27/781749327.db2.gz GGNJHKCIWJMGMK-JKSUJKDBSA-N 0 1 288.435 2.583 20 30 CFEDMN C#CCN1CC(C)(C)CC[C@@H]1CNC(=O)CCCCC ZINC001098901083 781767707 /nfs/dbraw/zinc/76/77/07/781767707.db2.gz XMLKKMQEBMOJHG-OAHLLOKOSA-N 0 1 278.440 2.807 20 30 CFEDMN C=CCN1CC[C@@H]2CN(C(=O)C(F)=C3CCCC3)[C@@H]2C1 ZINC001084277604 781786202 /nfs/dbraw/zinc/78/62/02/781786202.db2.gz SABPBHRFJCCUAC-ZIAGYGMSSA-N 0 1 278.371 2.503 20 30 CFEDMN C=C(C)CN1CC[C@@H]2CN(C(=O)c3[nH]ccc3C3CC3)[C@@H]2C1 ZINC001084397704 781795779 /nfs/dbraw/zinc/79/57/79/781795779.db2.gz ZXAZKAMGFPFNQX-GDBMZVCRSA-N 0 1 299.418 2.615 20 30 CFEDMN C=CCN1CC[C@@H]2CN(C(=O)[C@H]3CCCCC3(F)F)[C@@H]2C1 ZINC001084547089 781800231 /nfs/dbraw/zinc/80/02/31/781800231.db2.gz QWVWHVPCPANEGG-MGPQQGTHSA-N 0 1 298.377 2.531 20 30 CFEDMN CC(C)Oc1ccnc(N2CCC[C@@H](CC#N)C2)c1 ZINC001166742828 781801374 /nfs/dbraw/zinc/80/13/74/781801374.db2.gz LURRNPABHHAJSX-ZDUSSCGKSA-N 0 1 259.353 2.999 20 30 CFEDMN C=C(C)CN1CC[C@@H]2CN(C(=O)C(C)(C)CC)[C@@H]2C1 ZINC001084622901 781810297 /nfs/dbraw/zinc/81/02/97/781810297.db2.gz ORJOCRFNXGLESL-ZIAGYGMSSA-N 0 1 264.413 2.531 20 30 CFEDMN C=CCN1CC[C@@H]2CN(C(=O)C3(C)CCCCC3)[C@@H]2C1 ZINC001084629993 781811533 /nfs/dbraw/zinc/81/15/33/781811533.db2.gz RODJWARPXGTDGI-HUUCEWRRSA-N 0 1 276.424 2.676 20 30 CFEDMN C=C(C)CN1CC[C@@H]2CN(C(=O)c3csc(C)c3)[C@@H]2C1 ZINC001084721748 781826261 /nfs/dbraw/zinc/82/62/61/781826261.db2.gz HHHSGPLGBGBYBN-UKRRQHHQSA-N 0 1 290.432 2.779 20 30 CFEDMN C=CCN1CC[C@@H]2CN(C(=O)[C@]3(C)CC=C(C)CC3)[C@@H]2C1 ZINC001084845687 781847237 /nfs/dbraw/zinc/84/72/37/781847237.db2.gz CLPMZVWWRSXDEG-JFIYKMOQSA-N 0 1 288.435 2.842 20 30 CFEDMN C=CCN1CC[C@@H]2CN(C(=O)[C@H]3CCCC(C)(C)C3)[C@@H]2C1 ZINC001084858566 781849506 /nfs/dbraw/zinc/84/95/06/781849506.db2.gz IJZCXEWHDFMSQD-ARFHVFGLSA-N 0 1 290.451 2.922 20 30 CFEDMN Cc1c[nH]nc1CNC1(c2ccc(C#N)cc2)CCC1 ZINC000594522056 349441232 /nfs/dbraw/zinc/44/12/32/349441232.db2.gz XRNCHAQJLUHTPN-UHFFFAOYSA-N 0 1 266.348 2.759 20 30 CFEDMN C=CCCSCCN[C@H](C(=O)N(C)C)c1ccccc1 ZINC000594713682 349479492 /nfs/dbraw/zinc/47/94/92/349479492.db2.gz VHSXLSXILIWHRN-HNNXBMFYSA-N 0 1 292.448 2.715 20 30 CFEDMN N#C[C@H]1CC[C@@H](NCc2ccc(F)c(F)c2F)C1 ZINC000594949934 349525050 /nfs/dbraw/zinc/52/50/50/349525050.db2.gz IURUXWATYISOOB-WCBMZHEXSA-N 0 1 254.255 2.886 20 30 CFEDMN Cn1ncc(C2CCC2)c1CNCc1ccc(C#N)c(F)c1 ZINC000594955069 349527561 /nfs/dbraw/zinc/52/75/61/349527561.db2.gz JDUDVCJLTOMFHU-UHFFFAOYSA-N 0 1 298.365 2.988 20 30 CFEDMN Cc1nocc1CNC1(c2cccc(C#N)c2)CCOCC1 ZINC000594979746 349537826 /nfs/dbraw/zinc/53/78/26/349537826.db2.gz LODJTRZYTZMFMT-UHFFFAOYSA-N 0 1 297.358 2.650 20 30 CFEDMN C[C@H](N[C@H]1CCCn2nccc21)c1cccc(C#N)c1 ZINC000595024892 349554031 /nfs/dbraw/zinc/55/40/31/349554031.db2.gz HOUJGXRONQYONT-WFASDCNBSA-N 0 1 266.348 2.940 20 30 CFEDMN C=C[C@H](C)N[C@H](C)c1ccc([N+](=O)[O-])cc1OC ZINC000595023523 349554196 /nfs/dbraw/zinc/55/41/96/349554196.db2.gz ZXCSISSMQOZDAQ-VHSXEESVSA-N 0 1 250.298 2.829 20 30 CFEDMN N#Cc1cccc(C2(N[C@H]3CCCn4nccc43)CC2)c1 ZINC000595029683 349556436 /nfs/dbraw/zinc/55/64/36/349556436.db2.gz KHEPCKPZQVGLQC-HNNXBMFYSA-N 0 1 278.359 2.869 20 30 CFEDMN C=CCC[C@@H](NCN1CCC(=O)CC1)c1ccccc1 ZINC000273084201 192038489 /nfs/dbraw/zinc/03/84/89/192038489.db2.gz MXMVSRALZKKFAM-QGZVFWFLSA-N 0 1 272.392 2.906 20 30 CFEDMN Cc1cc([C@H](C)NCCc2ccc(C#N)cc2)no1 ZINC000595055176 349566534 /nfs/dbraw/zinc/56/65/34/349566534.db2.gz ABQYEMDSVUFYKK-LBPRGKRZSA-N 0 1 255.321 2.748 20 30 CFEDMN C=CCCSCCN[C@H](C)c1cc(C)n(C)n1 ZINC000595059350 349570475 /nfs/dbraw/zinc/57/04/75/349570475.db2.gz MTCFQUZDDAXLDS-GFCCVEGCSA-N 0 1 253.415 2.688 20 30 CFEDMN CCC(CC)CN(CCC#N)C[C@@H](OC)[C@@H]1CCOC1 ZINC000595348553 349608824 /nfs/dbraw/zinc/60/88/24/349608824.db2.gz SPEHZPUOBGUSCZ-HZPDHXFCSA-N 0 1 282.428 2.690 20 30 CFEDMN C#CCN(C)C[C@H](O)COc1ccc(-c2ccccc2)cc1 ZINC000096934632 185133423 /nfs/dbraw/zinc/13/34/23/185133423.db2.gz PANHOUFATOFIET-SFHVURJKSA-N 0 1 295.382 2.658 20 30 CFEDMN COc1cc(C#N)ccc1C[N@H+]1C[C@@H]2CCCC[C@@H]21 ZINC000595567131 349662590 /nfs/dbraw/zinc/66/25/90/349662590.db2.gz MMGVXXCKSZXNHG-ZFWWWQNUSA-N 0 1 256.349 2.941 20 30 CFEDMN C[C@H](C(=O)N(C)C1CCCCC1)N1CCC[C@H](CC#N)C1 ZINC000595609767 349674906 /nfs/dbraw/zinc/67/49/06/349674906.db2.gz OVNJHBYTSOKSIH-HUUCEWRRSA-N 0 1 291.439 2.792 20 30 CFEDMN C[C@H](C(=O)N1[C@H](C)CCC[C@H]1C)N1CCC[C@H](CC#N)C1 ZINC000595609794 349675089 /nfs/dbraw/zinc/67/50/89/349675089.db2.gz PBPVVOIPJBIWOU-KLHDSHLOSA-N 0 1 291.439 2.790 20 30 CFEDMN CC[C@@H]1CCCCN1C(=O)[C@H](C)N1CCC[C@H](CC#N)C1 ZINC000595609009 349673493 /nfs/dbraw/zinc/67/34/93/349673493.db2.gz DUSVKCDFLZTTQC-ARFHVFGLSA-N 0 1 291.439 2.792 20 30 CFEDMN CCCCCN1CCN(c2ccsc2C#N)CC1 ZINC000595630427 349683823 /nfs/dbraw/zinc/68/38/23/349683823.db2.gz XYPZHJXMDTVAOR-UHFFFAOYSA-N 0 1 263.410 2.932 20 30 CFEDMN Cc1cc(CC(=O)Nc2cc(C#N)ccc2OC(C)C)n[nH]1 ZINC000125893665 187204304 /nfs/dbraw/zinc/20/43/04/187204304.db2.gz RNCCAZKAPAAFHV-UHFFFAOYSA-N 0 1 298.346 2.558 20 30 CFEDMN C=CCN(Cc1cccc([N+](=O)[O-])c1C)[C@H](C)COC ZINC000595645608 349688699 /nfs/dbraw/zinc/68/86/99/349688699.db2.gz GGJYMJGTBOFOFD-GFCCVEGCSA-N 0 1 278.352 2.926 20 30 CFEDMN Cc1nccc(NC(=O)N2Cc3ccccc3C3(CC3)C2)n1 ZINC000330146876 282189405 /nfs/dbraw/zinc/18/94/05/282189405.db2.gz IHAGLNSUHAOVQV-UHFFFAOYSA-N 0 1 294.358 2.878 20 30 CFEDMN C[C@@H]1CN(Cc2ccc(C#N)cc2Cl)C[C@@H](C)C1O ZINC000595734377 349719633 /nfs/dbraw/zinc/71/96/33/349719633.db2.gz YSMGULKBEHGZNI-GHMZBOCLSA-N 0 1 278.783 2.660 20 30 CFEDMN CC[C@H](C(=O)N1CCC(C#N)CC1)N(C)Cc1ccccc1 ZINC000353772407 529593829 /nfs/dbraw/zinc/59/38/29/529593829.db2.gz LFTXQYIXTIKSLB-QGZVFWFLSA-N 0 1 299.418 2.659 20 30 CFEDMN C[C@H](O)[C@H]1CCCN1Cc1ccc(C#N)cc1C(F)(F)F ZINC000595765818 349727124 /nfs/dbraw/zinc/72/71/24/349727124.db2.gz JSTSYYXHBRRQKS-IINYFYTJSA-N 0 1 298.308 2.922 20 30 CFEDMN C=CCN(Cc1n[nH]c(C)c1C(=O)OCC)C(C)(C)C ZINC000595765588 349727264 /nfs/dbraw/zinc/72/72/64/349727264.db2.gz LKLCFNIPKNHDLO-UHFFFAOYSA-N 0 1 279.384 2.681 20 30 CFEDMN N#CCC[C@H](C#N)CN1CCC[C@H]([C@H]2CCCCO2)C1 ZINC000595791909 349735066 /nfs/dbraw/zinc/73/50/66/349735066.db2.gz XZRRUCCFOXIWJS-OWCLPIDISA-N 0 1 275.396 2.711 20 30 CFEDMN N#Cc1cnccc1CN1CCC[C@@H]([C@@H]2CCCCO2)C1 ZINC000595791143 349735075 /nfs/dbraw/zinc/73/50/75/349735075.db2.gz ZTERCUJLVVQELL-WBVHZDCISA-N 0 1 285.391 2.734 20 30 CFEDMN C[C@H](C(=O)N(CCC#N)c1ccccc1)N1CC2CC1(C)C2 ZINC000595914472 349767493 /nfs/dbraw/zinc/76/74/93/349767493.db2.gz ATHHJWYNPDZHON-KSTDHSDQSA-N 0 1 297.402 2.806 20 30 CFEDMN COc1ccccc1CCCN1CC[C@](C)(C#N)C1 ZINC000595844368 349753976 /nfs/dbraw/zinc/75/39/76/349753976.db2.gz SDACOKQKAYRPEJ-MRXNPFEDSA-N 0 1 258.365 2.863 20 30 CFEDMN C=CCCCCCN1CC2CC1(C(=O)OCC)C2 ZINC000595871223 349758367 /nfs/dbraw/zinc/75/83/67/349758367.db2.gz QWCJAAWPOSNQAN-UHFFFAOYSA-N 0 1 251.370 2.760 20 30 CFEDMN CC12CC(C1)CN2Cc1nnc(-c2ccc(C#N)cc2)o1 ZINC000595914927 349768440 /nfs/dbraw/zinc/76/84/40/349768440.db2.gz GPVCLVAPVCGULB-UHFFFAOYSA-N 0 1 280.331 2.593 20 30 CFEDMN Cc1ccc(C#N)nc1NCC[N@H+](C)Cc1ccccc1 ZINC000596088289 349791248 /nfs/dbraw/zinc/79/12/48/349791248.db2.gz JXMXXSDZNZATGV-UHFFFAOYSA-N 0 1 280.375 2.806 20 30 CFEDMN CCn1nccc1CN[C@@H](C)c1ccc(C#N)c(F)c1 ZINC000596095979 349794040 /nfs/dbraw/zinc/79/40/40/349794040.db2.gz SMKOODSOSIPJSE-NSHDSACASA-N 0 1 272.327 2.765 20 30 CFEDMN C=C(C)c1cccc(NC(=O)NC[C@H]2CCN2C)c1 ZINC000934886501 649847838 /nfs/dbraw/zinc/84/78/38/649847838.db2.gz KCRFARCNSHOCKJ-CQSZACIVSA-N 0 1 259.353 2.545 20 30 CFEDMN Cc1cc(C(=O)C(C#N)c2nnc3n2CCCCC3)c(C)o1 ZINC000072678708 346935660 /nfs/dbraw/zinc/93/56/60/346935660.db2.gz HXJDNNZMZAWZBK-ZDUSSCGKSA-N 0 1 298.346 2.704 20 30 CFEDMN Cc1cc(C(=O)[C@H](C#N)c2nnc3n2CCCCC3)c(C)o1 ZINC000072678708 346935662 /nfs/dbraw/zinc/93/56/62/346935662.db2.gz HXJDNNZMZAWZBK-ZDUSSCGKSA-N 0 1 298.346 2.704 20 30 CFEDMN C=C(C)CN(CC)CC(=O)N[C@H]1CCOc2ccccc21 ZINC000072817382 346941598 /nfs/dbraw/zinc/94/15/98/346941598.db2.gz FBJXPKHOCAFPQX-HNNXBMFYSA-N 0 1 288.391 2.524 20 30 CFEDMN N#Cc1cc2cccnc2nc1N[C@H]1CCCc2cn[nH]c21 ZINC000596167927 349815277 /nfs/dbraw/zinc/81/52/77/349815277.db2.gz IWVRCFMNNNWPOQ-ZDUSSCGKSA-N 0 1 290.330 2.714 20 30 CFEDMN COc1cc(CN(C)[C@@H](CO)c2ccccc2)ccc1C#N ZINC000295073211 199330682 /nfs/dbraw/zinc/33/06/82/199330682.db2.gz PLIZOOIGDCHRGI-KRWDZBQOSA-N 0 1 296.370 2.732 20 30 CFEDMN CC[C@H]1CN(CC)CCN1c1nc(C#N)c(Cl)s1 ZINC000596256862 349843735 /nfs/dbraw/zinc/84/37/35/349843735.db2.gz HHNUPCIPYBVEEU-VIFPVBQESA-N 0 1 284.816 2.589 20 30 CFEDMN C=CCOc1cccc(C[N@@H+](C)C[C@H]2CCCO2)c1 ZINC000128026653 187346583 /nfs/dbraw/zinc/34/65/83/187346583.db2.gz BUMCMCIXUIDHDZ-MRXNPFEDSA-N 0 1 261.365 2.862 20 30 CFEDMN CC(C)(CNc1nc(C#N)c(Cl)s1)OCC1CC1 ZINC000596271357 349849512 /nfs/dbraw/zinc/84/95/12/349849512.db2.gz OEPWVEMJHGNJDM-UHFFFAOYSA-N 0 1 285.800 2.707 20 30 CFEDMN O=C(Nc1n[nH]c(-c2ccco2)n1)c1cccc2c[nH]nc21 ZINC000074294111 347008242 /nfs/dbraw/zinc/00/82/42/347008242.db2.gz SJHPNKPHIBLJSY-UHFFFAOYSA-N 0 1 294.274 2.577 20 30 CFEDMN C=CCCCCNC(C)(C)c1cc(C(=O)OC)on1 ZINC000573673610 334956404 /nfs/dbraw/zinc/95/64/04/334956404.db2.gz MQDUMZCIEIHWNA-UHFFFAOYSA-N 0 1 266.341 2.642 20 30 CFEDMN C=CCCCN(C)Cc1nc(-c2cc(C)ccn2)no1 ZINC000295106065 199348170 /nfs/dbraw/zinc/34/81/70/199348170.db2.gz UTUNFVSGFMYMGD-UHFFFAOYSA-N 0 1 272.352 2.838 20 30 CFEDMN Cc1ccc(C#N)c(NC[C@H](c2ccco2)N(C)C)n1 ZINC000127499193 187310924 /nfs/dbraw/zinc/31/09/24/187310924.db2.gz UHMOYEOKGMLPIH-CYBMUJFWSA-N 0 1 270.336 2.570 20 30 CFEDMN COc1ccccc1N1CCN(CCCCC#N)CC1 ZINC000042306688 346362997 /nfs/dbraw/zinc/36/29/97/346362997.db2.gz MWQOZBJULOEHFL-UHFFFAOYSA-N 0 1 273.380 2.511 20 30 CFEDMN CCN(CCCOc1ccc(OC)cc1)C[C@H](C)C#N ZINC000064248790 346717027 /nfs/dbraw/zinc/71/70/27/346717027.db2.gz QIGGDJHBRASBAS-CQSZACIVSA-N 0 1 276.380 2.946 20 30 CFEDMN C#CCN1CCC(C(=O)N(CC=C)Cc2ccccc2)CC1 ZINC000067162435 346793968 /nfs/dbraw/zinc/79/39/68/346793968.db2.gz AMKKLVPQZYMEDK-UHFFFAOYSA-N 0 1 296.414 2.546 20 30 CFEDMN CCC(N)=NOCc1cc(-c2cccs2)on1 ZINC000067385608 346800351 /nfs/dbraw/zinc/80/03/51/346800351.db2.gz IDZMUJRLAUWVDM-UHFFFAOYSA-N 0 1 251.311 2.602 20 30 CFEDMN CCC(N)=NOCc1cccc(OCC(F)(F)F)c1 ZINC000067385539 346800614 /nfs/dbraw/zinc/80/06/14/346800614.db2.gz AMYLVIUFMQWATI-UHFFFAOYSA-N 0 1 276.258 2.827 20 30 CFEDMN C#CCN1CCC([C@H](O)c2ccc(Cl)cc2)CC1 ZINC000067400506 346801707 /nfs/dbraw/zinc/80/17/07/346801707.db2.gz QANZOKPDUSSAQK-OAHLLOKOSA-N 0 1 263.768 2.719 20 30 CFEDMN C=CCCCN(C)C(=O)NC[C@@H](c1ccsc1)N(C)C ZINC000076946167 347161629 /nfs/dbraw/zinc/16/16/29/347161629.db2.gz UZDJNUZPYZZBJB-AWEZNQCLSA-N 0 1 295.452 2.958 20 30 CFEDMN N#Cc1ccc(F)c(CN2CCC[C@H](c3ncc[nH]3)C2)c1 ZINC000080958579 347389075 /nfs/dbraw/zinc/38/90/75/347389075.db2.gz CXCQAGCZFRNGPA-ZDUSSCGKSA-N 0 1 284.338 2.800 20 30 CFEDMN C#CCCN1CCN(c2ccc3ccc(F)cc3n2)CC1 ZINC000091480531 347589385 /nfs/dbraw/zinc/58/93/85/347589385.db2.gz IVBJURZGYMXCNV-UHFFFAOYSA-N 0 1 283.350 2.519 20 30 CFEDMN N#Cc1csc(CN2CC[C@@H](Oc3ccncc3)C2)c1 ZINC000093866233 347686284 /nfs/dbraw/zinc/68/62/84/347686284.db2.gz WLFGMYPMDBSLFT-CQSZACIVSA-N 0 1 285.372 2.668 20 30 CFEDMN CCN1CCN(c2nc(C(F)(F)F)ccc2C#N)C[C@@H]1C ZINC000094335328 347695270 /nfs/dbraw/zinc/69/52/70/347695270.db2.gz UYXJDGHYIDPDAM-JTQLQIEISA-N 0 1 298.312 2.502 20 30 CFEDMN C[C@@H]1CCN(CC#Cc2ccc(C(F)(F)F)cc2)C[C@@H]1O ZINC000093344858 347671003 /nfs/dbraw/zinc/67/10/03/347671003.db2.gz MGBPNQPTBBWQDX-DOMZBBRYSA-N 0 1 297.320 2.760 20 30 CFEDMN CC[C@H]1c2ccccc2CCN1CC(=O)N(CC)CCC#N ZINC000114492756 347772681 /nfs/dbraw/zinc/77/26/81/347772681.db2.gz SNNZZCDBZFEKMX-KRWDZBQOSA-N 0 1 299.418 2.758 20 30 CFEDMN N#Cc1ccc(N2N=C3CCCCC[C@H]3C2=O)cc1 ZINC000107892668 347736751 /nfs/dbraw/zinc/73/67/51/347736751.db2.gz JAGANBXGAISWFF-CYBMUJFWSA-N 0 1 253.305 2.841 20 30 CFEDMN N#Cc1ccc(-n2[nH]c3c(c2=O)CCCCC3)cc1 ZINC000107892668 347736755 /nfs/dbraw/zinc/73/67/55/347736755.db2.gz JAGANBXGAISWFF-CYBMUJFWSA-N 0 1 253.305 2.841 20 30 CFEDMN CCO[C@H]1CCCN(Cc2cc(C#N)cs2)C1 ZINC000155436721 347986492 /nfs/dbraw/zinc/98/64/92/347986492.db2.gz NYIQOZRZGRABMT-LBPRGKRZSA-N 0 1 250.367 2.621 20 30 CFEDMN Cc1cc(C#N)ccc1CN(C)Cc1ccccn1 ZINC000165442698 348038639 /nfs/dbraw/zinc/03/86/39/348038639.db2.gz BQGVTXQDALZLFS-UHFFFAOYSA-N 0 1 251.333 2.894 20 30 CFEDMN CC[C@@H]1CO[C@@H](C)CN1Cc1ccc(C#N)cc1C ZINC000165451766 348039017 /nfs/dbraw/zinc/03/90/17/348039017.db2.gz RACXUWDGLJPHPX-XJKSGUPXSA-N 0 1 258.365 2.866 20 30 CFEDMN C=CCCCCC[N@@H+]1C[C@@H]2CCC[C@@H]2[C@H]1C(=O)[O-] ZINC000300257033 348367150 /nfs/dbraw/zinc/36/71/50/348367150.db2.gz KTUNZTCHFFJVBJ-IHRRRGAJSA-N 0 1 251.370 2.918 20 30 CFEDMN CCN(Cc1ccc(C#N)cc1F)[C@@H]1CCCOC1 ZINC000311254414 348412166 /nfs/dbraw/zinc/41/21/66/348412166.db2.gz SSEJHJQRXPSOSJ-CQSZACIVSA-N 0 1 262.328 2.698 20 30 CFEDMN N#CC(C(=O)[C@H]1CCCC12CC2)c1nnc2n1CCCCC2 ZINC000528926861 383678139 /nfs/dbraw/zinc/67/81/39/383678139.db2.gz GSUYYODWMUIZCX-CHWSQXEVSA-N 0 1 298.390 2.761 20 30 CFEDMN CC[C@@H]1COC(C)(C)CN1CCOc1cccc(C#N)c1 ZINC000403908439 348588583 /nfs/dbraw/zinc/58/85/83/348588583.db2.gz XXDQTORTJLEBIY-OAHLLOKOSA-N 0 1 288.391 2.826 20 30 CFEDMN CC[C@H]1COC(C)(C)CN1Cc1cccc(C#N)c1 ZINC000403955894 348588685 /nfs/dbraw/zinc/58/86/85/348588685.db2.gz ZPTXFKILEZMZBL-HNNXBMFYSA-N 0 1 258.365 2.948 20 30 CFEDMN COC(=O)C[C@H]1CCCCN1Cc1ccc(C#N)c(F)c1 ZINC000404124687 348590589 /nfs/dbraw/zinc/59/05/89/348590589.db2.gz QACYBEUVQFYCLP-CQSZACIVSA-N 0 1 290.338 2.615 20 30 CFEDMN Cc1cc(C2CCN(C(=O)CCCCCC#N)CC2)n[nH]1 ZINC000588665739 348791202 /nfs/dbraw/zinc/79/12/02/348791202.db2.gz WBUIPCYOCKPMFC-UHFFFAOYSA-N 0 1 288.395 2.898 20 30 CFEDMN CC(C)[C@@](C)(C#N)NC(=O)[C@H](C)N1CCC2(CCC2)CC1 ZINC000586783390 348751398 /nfs/dbraw/zinc/75/13/98/348751398.db2.gz SLODUKGRAQRION-GOEBONIOSA-N 0 1 291.439 2.695 20 30 CFEDMN C[C@@H](NCc1ccc(C#N)c(Cl)c1)c1ccc(=O)[nH]n1 ZINC000586794297 348753250 /nfs/dbraw/zinc/75/32/50/348753250.db2.gz SKFZKCNKVGKCNM-SECBINFHSA-N 0 1 288.738 2.558 20 30 CFEDMN CCOC(=O)c1ccc(CN[C@H]2CCC[C@H](C#N)C2)o1 ZINC000589196918 348819326 /nfs/dbraw/zinc/81/93/26/348819326.db2.gz GNRBGQHPEPRWHQ-RYUDHWBXSA-N 0 1 276.336 2.628 20 30 CFEDMN COCCN(CCC#N)C[C@H]1CC(C)=C[C@H](C)C1 ZINC000589498531 348835731 /nfs/dbraw/zinc/83/57/31/348835731.db2.gz XWTQNHMEQJJMGV-DZGCQCFKSA-N 0 1 250.386 2.841 20 30 CFEDMN CC(C)[C@H](C#N)N1CCN(C[C@@H]2C[C@H]2c2ccccc2)CC1 ZINC000589742361 348854239 /nfs/dbraw/zinc/85/42/39/348854239.db2.gz MDWKUTRTXBXXDB-FHWLQOOXSA-N 0 1 297.446 2.956 20 30 CFEDMN Cc1nc(NCc2nc3ccc(Cl)cc3[nH]2)ccc1C#N ZINC000589863357 348861994 /nfs/dbraw/zinc/86/19/94/348861994.db2.gz XCKGABCBXFXVJQ-UHFFFAOYSA-N 0 1 297.749 2.825 20 30 CFEDMN CCN(Cc1cccc(F)c1C#N)C[C@H]1CCOC1 ZINC000589983451 348867433 /nfs/dbraw/zinc/86/74/33/348867433.db2.gz JKFRWYOOAIUSDY-GFCCVEGCSA-N 0 1 262.328 2.556 20 30 CFEDMN C[C@H](c1ccccc1)[C@H](CO)NCc1cccc(F)c1C#N ZINC000589990743 348867906 /nfs/dbraw/zinc/86/79/06/348867906.db2.gz ULGVNEVQOQCLHO-ACJLOTCBSA-N 0 1 298.361 2.952 20 30 CFEDMN CO[C@]1(C(F)(F)F)CCCN([C@@H]2CC[C@H](C#N)C2)C1 ZINC000590175423 348882631 /nfs/dbraw/zinc/88/26/31/348882631.db2.gz OOLJRPOBUSEQRS-QJPTWQEYSA-N 0 1 276.302 2.722 20 30 CFEDMN C[C@@H]1Cc2cn[nH]c2[C@@H](C(=O)Nc2ccc(F)c(C#N)c2)C1 ZINC000590429704 348900847 /nfs/dbraw/zinc/90/08/47/348900847.db2.gz SYLPXOJVHUASNE-RNCFNFMXSA-N 0 1 298.321 2.725 20 30 CFEDMN [O-]C(=[NH+]CCC1CCCCC1)N1CCn2ccnc2C1 ZINC000329466677 539701129 /nfs/dbraw/zinc/70/11/29/539701129.db2.gz VREHQZKZVWIPEB-UHFFFAOYSA-N 0 1 276.384 2.583 20 30 CFEDMN CCO[C@@H]1C[C@H](NCc2ccc(C#N)cc2F)[C@H]1SC ZINC000590956302 348971922 /nfs/dbraw/zinc/97/19/22/348971922.db2.gz KDCNXPFVXKNNNN-RRFJBIMHSA-N 0 1 294.395 2.696 20 30 CFEDMN C[C@](O)(CNCc1ccc(C#N)c(Cl)c1)C(F)(F)F ZINC000591765698 349042574 /nfs/dbraw/zinc/04/25/74/349042574.db2.gz AINQKLQHQZDZLG-NSHDSACASA-N 0 1 292.688 2.615 20 30 CFEDMN N#CC1(CNCCC(=O)Nc2ccc(Cl)cc2)CC1 ZINC000591764802 349042796 /nfs/dbraw/zinc/04/27/96/349042796.db2.gz WQHRNRCVHGJCSZ-UHFFFAOYSA-N 0 1 277.755 2.562 20 30 CFEDMN CCn1cncc1CN[C@H](C)c1cccc(C#N)c1 ZINC000591355324 349011772 /nfs/dbraw/zinc/01/17/72/349011772.db2.gz JEOYHQDKCOSTGW-GFCCVEGCSA-N 0 1 254.337 2.625 20 30 CFEDMN CC(C)C[C@@H](N)c1noc(CCCCCC#N)n1 ZINC000592353891 349106779 /nfs/dbraw/zinc/10/67/79/349106779.db2.gz OLUNXYNOQNLPNY-LLVKDONJSA-N 0 1 250.346 2.742 20 30 CFEDMN COc1ccc([C@H]2CCN(Cc3ccncc3C#N)C2)cc1 ZINC000592066106 349078392 /nfs/dbraw/zinc/07/83/92/349078392.db2.gz IBCBSPKJGRPGSE-INIZCTEOSA-N 0 1 293.370 2.951 20 30 CFEDMN C[C@@H]1CC[N@@H+](Cc2ccncc2C#N)CC12CCC2 ZINC000592090231 349081648 /nfs/dbraw/zinc/08/16/48/349081648.db2.gz FFFLCDNJKTUSLX-CYBMUJFWSA-N 0 1 255.365 2.965 20 30 CFEDMN C[C@@H]1CCN(Cc2ccncc2C#N)CC12CCC2 ZINC000592090231 349081649 /nfs/dbraw/zinc/08/16/49/349081649.db2.gz FFFLCDNJKTUSLX-CYBMUJFWSA-N 0 1 255.365 2.965 20 30 CFEDMN CC(C)(C#N)CCN[C@H](CCO)c1ccccc1F ZINC000592159082 349093707 /nfs/dbraw/zinc/09/37/07/349093707.db2.gz BBIRJENGKXDJME-CQSZACIVSA-N 0 1 264.344 2.779 20 30 CFEDMN N#CC1(CN2CCC[C@H](O)[C@@H]2CCc2ccccc2)CC1 ZINC000592165159 349094691 /nfs/dbraw/zinc/09/46/91/349094691.db2.gz AEGCAZCJTCJNAD-IRXDYDNUSA-N 0 1 284.403 2.748 20 30 CFEDMN N#Cc1ccccc1/C=C/c1nc([C@@H]2CCCN2)no1 ZINC000592357354 349108062 /nfs/dbraw/zinc/10/80/62/349108062.db2.gz YGPYQZALXMUMPI-GWJCSSMESA-N 0 1 266.304 2.536 20 30 CFEDMN COc1cc(CNCc2ccnn2CC(C)C)ccc1C#N ZINC000592368093 349110711 /nfs/dbraw/zinc/11/07/11/349110711.db2.gz JJRRZMULFIMWAJ-UHFFFAOYSA-N 0 1 298.390 2.709 20 30 CFEDMN N#Cc1ccc(CN2CCC3(CC3)CC2)c([N+](=O)[O-])c1 ZINC000593020388 349188974 /nfs/dbraw/zinc/18/89/74/349188974.db2.gz YLSSSJCZJLZAMZ-UHFFFAOYSA-N 0 1 271.320 2.842 20 30 CFEDMN N#Cc1ncccc1NC[C@@H](c1ccco1)N1CCCC1 ZINC000273986338 192389487 /nfs/dbraw/zinc/38/94/87/192389487.db2.gz IHLQZBLTPLJZFA-HNNXBMFYSA-N 0 1 282.347 2.795 20 30 CFEDMN N#Cc1ccc(CN2CC[C@@]3(CC3(F)F)C2)cc1F ZINC000593115268 349211764 /nfs/dbraw/zinc/21/17/64/349211764.db2.gz BVLCSTQXGBDRJY-CYBMUJFWSA-N 0 1 266.266 2.928 20 30 CFEDMN N#Cc1cc(CN2CC[C@@]3(CC3(F)F)C2)ccc1F ZINC000593117304 349213006 /nfs/dbraw/zinc/21/30/06/349213006.db2.gz LVHSNCSHYBKPDT-CYBMUJFWSA-N 0 1 266.266 2.928 20 30 CFEDMN CN(C(=O)CN1CCC12CCCC2)C1(C#N)CCCCC1 ZINC000593040626 349192602 /nfs/dbraw/zinc/19/26/02/349192602.db2.gz WXANGBHYQVBZKH-UHFFFAOYSA-N 0 1 289.423 2.690 20 30 CFEDMN COc1cc(C#N)ccc1CN1CCC[C@H](OC(C)C)C1 ZINC000593055866 349196150 /nfs/dbraw/zinc/19/61/50/349196150.db2.gz SITFIJSJMGQMIV-INIZCTEOSA-N 0 1 288.391 2.956 20 30 CFEDMN CC(C)c1nc(CN2CC[C@](F)(C#N)C2)c2ccccn21 ZINC000593625505 349301176 /nfs/dbraw/zinc/30/11/76/349301176.db2.gz MFYYYDALAUXUOY-INIZCTEOSA-N 0 1 286.354 2.895 20 30 CFEDMN N#CC(CCc1ccccc1)C(=O)NCC1(C#N)CCCC1 ZINC000593786409 349327571 /nfs/dbraw/zinc/32/75/71/349327571.db2.gz JCFFKQNYZHMPCZ-INIZCTEOSA-N 0 1 295.386 2.959 20 30 CFEDMN COc1ccc(C(C)C)cc1CN1CC[C@@](O)(CC#N)C1 ZINC000594015716 349353680 /nfs/dbraw/zinc/35/36/80/349353680.db2.gz PSZFTXBUDZHETF-KRWDZBQOSA-N 0 1 288.391 2.669 20 30 CFEDMN N#Cc1ccc(CN2CC[C@@]3(CC3(F)F)C2)s1 ZINC000593696887 349311199 /nfs/dbraw/zinc/31/11/99/349311199.db2.gz IHDOLTJKVSRXEO-LLVKDONJSA-N 0 1 254.305 2.851 20 30 CFEDMN CCN(CC)[C@H](CNC(=O)CCCCC#N)c1ccco1 ZINC000594254011 349400647 /nfs/dbraw/zinc/40/06/47/349400647.db2.gz HYANIJKJFLRTEQ-CQSZACIVSA-N 0 1 291.395 2.863 20 30 CFEDMN CCN(CC)[C@@H](CNC(=O)CCCCC#N)c1ccco1 ZINC000594254010 349400907 /nfs/dbraw/zinc/40/09/07/349400907.db2.gz HYANIJKJFLRTEQ-AWEZNQCLSA-N 0 1 291.395 2.863 20 30 CFEDMN Cc1n[nH]c(C(F)F)c1NC(=O)CCCCC#N ZINC000594335957 349408322 /nfs/dbraw/zinc/40/83/22/349408322.db2.gz ZRCGIKXZCFFJHI-UHFFFAOYSA-N 0 1 256.256 2.678 20 30 CFEDMN N#Cc1ccc(CN(Cc2cnn3c2CCC3)C2CC2)cc1 ZINC000596980022 350011086 /nfs/dbraw/zinc/01/10/86/350011086.db2.gz SCYXPAJYYAVYEW-UHFFFAOYSA-N 0 1 292.386 2.866 20 30 CFEDMN Cn1ncc(C2CCC2)c1CN1CCC(CC#N)CC1 ZINC000597081413 350026125 /nfs/dbraw/zinc/02/61/25/350026125.db2.gz GZDMNWMDFISCKA-UHFFFAOYSA-N 0 1 272.396 2.813 20 30 CFEDMN C[C@@H](CC#N)C(=O)N1CCN(Cc2ccccc2)C(C)(C)C1 ZINC000597160236 350042129 /nfs/dbraw/zinc/04/21/29/350042129.db2.gz ARCYTSILEQGNPD-HNNXBMFYSA-N 0 1 299.418 2.659 20 30 CFEDMN COc1cc(CN2CC[C@@H](C)O[C@@H](C)C2)ccc1C#N ZINC000597226710 350063104 /nfs/dbraw/zinc/06/31/04/350063104.db2.gz WQDSWJSFRINCQU-OLZOCXBDSA-N 0 1 274.364 2.566 20 30 CFEDMN N#CCCCCCC(=O)Nc1n[nH]c2cc(O)ccc21 ZINC000597681013 350122998 /nfs/dbraw/zinc/12/29/98/350122998.db2.gz SVCDFIBRDRHVKF-UHFFFAOYSA-N 0 1 272.308 2.681 20 30 CFEDMN C[C@H](CC#N)C(=O)N1CC[N@@H+](Cc2ccccc2)C[C@H](C)C1 ZINC000597734811 350130379 /nfs/dbraw/zinc/13/03/79/350130379.db2.gz DJWKKUWZEBOHOR-JKSUJKDBSA-N 0 1 299.418 2.517 20 30 CFEDMN CC[C@@H]1C[N@@H+](CC)CCN1C(=O)CC1(C#N)CCCCC1 ZINC000597734843 350130398 /nfs/dbraw/zinc/13/03/98/350130398.db2.gz DWINHQVSCLNJLA-OAHLLOKOSA-N 0 1 291.439 2.793 20 30 CFEDMN CC[C@@H]1CN(CC)CCN1C(=O)CC1(C#N)CCCCC1 ZINC000597734843 350130401 /nfs/dbraw/zinc/13/04/01/350130401.db2.gz DWINHQVSCLNJLA-OAHLLOKOSA-N 0 1 291.439 2.793 20 30 CFEDMN Cc1cc2c[nH]nc2c(C(=O)N2CCC[C@@H](CC#N)C2)c1 ZINC000597914312 350156545 /nfs/dbraw/zinc/15/65/45/350156545.db2.gz UJEVTAGXGZLGIO-LBPRGKRZSA-N 0 1 282.347 2.637 20 30 CFEDMN CCN(C)[C@@H](C(=O)N1CCC[C@H](CC#N)C1)c1ccccc1 ZINC000597913972 350156807 /nfs/dbraw/zinc/15/68/07/350156807.db2.gz SKHJQRZKPIJVFE-NVXWUHKLSA-N 0 1 299.418 2.832 20 30 CFEDMN C=CCCSCCNC(=O)c1c(C)n[nH]c1C(C)C ZINC000597967879 350164476 /nfs/dbraw/zinc/16/44/76/350164476.db2.gz ATRYUHDFSMIUAS-UHFFFAOYSA-N 0 1 281.425 2.881 20 30 CFEDMN C=CCCSCCNC(=O)c1cccc2nc[nH]c21 ZINC000597968959 350165109 /nfs/dbraw/zinc/16/51/09/350165109.db2.gz RXEONPCSLCBFIJ-UHFFFAOYSA-N 0 1 275.377 2.602 20 30 CFEDMN C=CCCSCCNC(=O)c1cccc2nc(C)[nH]c21 ZINC000597969993 350165192 /nfs/dbraw/zinc/16/51/92/350165192.db2.gz JYCDJVCIAPFGPG-UHFFFAOYSA-N 0 1 289.404 2.910 20 30 CFEDMN CCN(C(=O)c1cccc(C(F)(F)F)c1O)[C@@H](C)C#N ZINC000598348070 350242015 /nfs/dbraw/zinc/24/20/15/350242015.db2.gz COGIWLUFMODVOT-QMMMGPOBSA-N 0 1 286.253 2.785 20 30 CFEDMN CCN(C(=O)c1cc(-c2cccs2)[nH]n1)[C@H](C)C#N ZINC000598352630 350244334 /nfs/dbraw/zinc/24/43/34/350244334.db2.gz LCIQCYMVPUCQAC-SECBINFHSA-N 0 1 274.349 2.512 20 30 CFEDMN CCN(C(=O)c1cccc(Br)c1O)[C@@H](C)C#N ZINC000598359169 350247799 /nfs/dbraw/zinc/24/77/99/350247799.db2.gz SHYXJFFVTJRFLG-QMMMGPOBSA-N 0 1 297.152 2.529 20 30 CFEDMN C=CCOCCNCc1ccccc1Br ZINC000308825729 539789417 /nfs/dbraw/zinc/78/94/17/539789417.db2.gz RIFFFMABEMJSBE-UHFFFAOYSA-N 0 1 270.170 2.741 20 30 CFEDMN CCCCCc1cc(C(=O)N2CC[C@](C)(C#N)C2)n[nH]1 ZINC000598422043 350267502 /nfs/dbraw/zinc/26/75/02/350267502.db2.gz SPYLMSVNGATHFW-OAHLLOKOSA-N 0 1 274.368 2.518 20 30 CFEDMN CCCC[C@H](C(=O)NC1(C#N)CCN(C)CC1)C(C)C ZINC000598658803 350304840 /nfs/dbraw/zinc/30/48/40/350304840.db2.gz MOJCIGOUOMZTJF-AWEZNQCLSA-N 0 1 279.428 2.553 20 30 CFEDMN CCCc1ccc(CN2CC[C@](O)(CC#N)C2)s1 ZINC000598676358 350308125 /nfs/dbraw/zinc/30/81/25/350308125.db2.gz OSKQYXKACFICQW-CQSZACIVSA-N 0 1 264.394 2.551 20 30 CFEDMN N#CC1(CC(=O)Nc2nc3cc(Cl)c(F)cc3[nH]2)CC1 ZINC000598782128 350328979 /nfs/dbraw/zinc/32/89/79/350328979.db2.gz UUHHTILCFQUEMA-UHFFFAOYSA-N 0 1 292.701 2.988 20 30 CFEDMN Cn1cccc1CN1CCC(Oc2cccc(C#N)c2)CC1 ZINC000092034448 180310319 /nfs/dbraw/zinc/31/03/19/180310319.db2.gz XYMHPQWUKMYNRV-UHFFFAOYSA-N 0 1 295.386 2.940 20 30 CFEDMN Cn1cc(C#N)c(=NC(=O)c2cccc(C3CCCC3)c2)[nH]1 ZINC000598817099 350333099 /nfs/dbraw/zinc/33/30/99/350333099.db2.gz IEYSZMKLPTZQAC-UHFFFAOYSA-N 0 1 294.358 2.624 20 30 CFEDMN COCC#CCN1C[C@@H](C)C[C@@H]1c1ccccc1F ZINC000677820104 539794782 /nfs/dbraw/zinc/79/47/82/539794782.db2.gz GIBKCJYWSOBLJS-XJKSGUPXSA-N 0 1 261.340 2.858 20 30 CFEDMN Cc1ccc(CN(C)Cc2ccccn2)cc1C#N ZINC000599431305 350435715 /nfs/dbraw/zinc/43/57/15/350435715.db2.gz DORBVPNMWSOZPW-UHFFFAOYSA-N 0 1 251.333 2.894 20 30 CFEDMN Cc1ccc(CN2CCC[C@@H]2[C@@H](O)C(F)(F)F)cc1C#N ZINC000599287909 350407062 /nfs/dbraw/zinc/40/70/62/350407062.db2.gz ZYHZXQKVNBAZHZ-ZIAGYGMSSA-N 0 1 298.308 2.754 20 30 CFEDMN Cc1ccc(CN2CCC[C@H]2[C@@H](O)C(F)(F)F)cc1C#N ZINC000599287908 350407627 /nfs/dbraw/zinc/40/76/27/350407627.db2.gz ZYHZXQKVNBAZHZ-UONOGXRCSA-N 0 1 298.308 2.754 20 30 CFEDMN C=CC[C@H]1CCN(Cc2nc3cc([N+](=O)[O-])ccc3[nH]2)C1 ZINC000599528066 350450385 /nfs/dbraw/zinc/45/03/85/350450385.db2.gz AUBOSAVJCMROCP-NSHDSACASA-N 0 1 286.335 2.869 20 30 CFEDMN N#CCc1cccc2c1CCN(Cc1ccc(CO)cc1)C2 ZINC000599677828 350479996 /nfs/dbraw/zinc/47/99/96/350479996.db2.gz PAVVYOYJDJMQGX-UHFFFAOYSA-N 0 1 292.382 2.803 20 30 CFEDMN C/C=C\C[C@@H]1CCCN(CC(=O)N[C@](C)(C#N)C(C)C)C1 ZINC000599691831 350484477 /nfs/dbraw/zinc/48/44/77/350484477.db2.gz SYUZCSLEXFASLF-BZOVTKSESA-N 0 1 291.439 2.719 20 30 CFEDMN N#CC1(C[C@H](O)CNc2ccc3cnccc3c2)CC1 ZINC000600739091 350604062 /nfs/dbraw/zinc/60/40/62/350604062.db2.gz PMEXFIXXNAIPRC-HNNXBMFYSA-N 0 1 267.332 2.701 20 30 CFEDMN CC(C)C[C@@H](C(=O)[O-])[N@H+]1CCc2c(CC#N)cccc2C1 ZINC000600707409 350598186 /nfs/dbraw/zinc/59/81/86/350598186.db2.gz YOPWWDPPUXUPJJ-INIZCTEOSA-N 0 1 286.375 2.610 20 30 CFEDMN Cc1ccc(C[N@H+]2CCC[C@@H](CCC(=O)[O-])C2)cc1C#N ZINC000600709569 350599420 /nfs/dbraw/zinc/59/94/20/350599420.db2.gz RHUDDULYTIUAAA-AWEZNQCLSA-N 0 1 286.375 2.944 20 30 CFEDMN N#Cc1cnc(N2CCN(CC3CC3)CC2)c2sccc21 ZINC000601105123 350669378 /nfs/dbraw/zinc/66/93/78/350669378.db2.gz AHJNIGUKUYQKEJ-UHFFFAOYSA-N 0 1 298.415 2.700 20 30 CFEDMN Cc1cc(C[C@@H](C)Nc2ncc(C#N)c3ccsc32)[nH]n1 ZINC000601130757 350677759 /nfs/dbraw/zinc/67/77/59/350677759.db2.gz BOHRTWGEDHCPDC-SECBINFHSA-N 0 1 297.387 2.665 20 30 CFEDMN CC(C)(C#N)C[C@H](O)CN[C@H](CF)c1ccc(F)cc1 ZINC000601969207 350821639 /nfs/dbraw/zinc/82/16/39/350821639.db2.gz AOKIAYRZSIUKQA-UONOGXRCSA-N 0 1 282.334 2.727 20 30 CFEDMN CCc1c(C(C)C)[nH]n(-c2ccc(C#N)cc2)c1=O ZINC000601931666 350806366 /nfs/dbraw/zinc/80/63/66/350806366.db2.gz NYVGVWIXWLJZCJ-CYBMUJFWSA-N 0 1 255.321 2.943 20 30 CFEDMN Cc1[nH]n(Cc2ccccc2Cl)c(=O)c1CCC#N ZINC000601940910 350810904 /nfs/dbraw/zinc/81/09/04/350810904.db2.gz SUWRBRLVNNTSPZ-LBPRGKRZSA-N 0 1 275.739 2.978 20 30 CFEDMN Cc1[nH]n([C@@H](C)c2ccccc2)c(=O)c1CCC#N ZINC000601941005 350810977 /nfs/dbraw/zinc/81/09/77/350810977.db2.gz WMOUJRGRDRWXMN-GXTWGEPZSA-N 0 1 255.321 2.886 20 30 CFEDMN Cc1[nH]n(Cc2ccc(F)cc2F)c(=O)c1CCC#N ZINC000601941682 350811318 /nfs/dbraw/zinc/81/13/18/350811318.db2.gz ZTBUTDXTEBYDPV-GFCCVEGCSA-N 0 1 277.274 2.603 20 30 CFEDMN N#Cc1c(F)cccc1CNC[C@H]1CCCS1 ZINC000602014917 350832160 /nfs/dbraw/zinc/83/21/60/350832160.db2.gz WYGDNERQHYKARL-LLVKDONJSA-N 0 1 250.342 2.683 20 30 CFEDMN C[C@]1(CNCc2cccc(F)c2C#N)CC1(F)F ZINC000602027283 350834808 /nfs/dbraw/zinc/83/48/08/350834808.db2.gz GGYUCDPDPKMMTN-GFCCVEGCSA-N 0 1 254.255 2.832 20 30 CFEDMN CCC[C@@H](CNCc1cccc(F)c1C#N)OC ZINC000602026461 350834993 /nfs/dbraw/zinc/83/49/93/350834993.db2.gz WISFIGLZGRCUPZ-LBPRGKRZSA-N 0 1 250.317 2.602 20 30 CFEDMN C[C@@H](NC(=O)[C@H]1CCN1C1CCCC1)c1ccc(C#N)cc1 ZINC000602052719 350836718 /nfs/dbraw/zinc/83/67/18/350836718.db2.gz NQPSPRUIKBHHSY-CXAGYDPISA-N 0 1 297.402 2.752 20 30 CFEDMN CCN(C(=O)[C@@H]1CCCCN1C)[C@@H](C)c1ccc(C#N)cc1 ZINC000602083560 350838461 /nfs/dbraw/zinc/83/84/61/350838461.db2.gz MAPXLTDUNPBFQT-YOEHRIQHSA-N 0 1 299.418 2.952 20 30 CFEDMN Cc1nc[nH]c1C(=O)Nc1ccc(OC(C)C)c(C#N)c1 ZINC000602121663 350844423 /nfs/dbraw/zinc/84/44/23/350844423.db2.gz ACOOWRIWAFQRCZ-UHFFFAOYSA-N 0 1 284.319 2.629 20 30 CFEDMN C[C@H](C(=O)NC1(C#N)CCC(C(C)(C)C)CC1)N(C)C ZINC000602138496 350846246 /nfs/dbraw/zinc/84/62/46/350846246.db2.gz IDGWBJUAENKRDQ-VEAWUBTESA-N 0 1 279.428 2.551 20 30 CFEDMN COC(=O)CN(CCc1ccccc1)C[C@H](C)CCC#N ZINC000602587071 350936080 /nfs/dbraw/zinc/93/60/80/350936080.db2.gz OIYUKVURSQWZHG-OAHLLOKOSA-N 0 1 288.391 2.644 20 30 CFEDMN CCC(CC)[N@@H+](CCOC)Cc1cccc(C#N)n1 ZINC000602444429 350885975 /nfs/dbraw/zinc/88/59/75/350885975.db2.gz MMUOSBDBCWOODY-UHFFFAOYSA-N 0 1 261.369 2.590 20 30 CFEDMN C[C@H](CC#N)N(C)[C@H](c1nnc[nH]1)C1CCCCC1 ZINC000602461215 350890602 /nfs/dbraw/zinc/89/06/02/350890602.db2.gz DOILXTBQHRHMOR-YPMHNXCESA-N 0 1 261.373 2.660 20 30 CFEDMN N#Cc1cccc(CN2CCS[C@@H]3CCCC[C@@H]32)n1 ZINC000602475046 350896832 /nfs/dbraw/zinc/89/68/32/350896832.db2.gz IBMFWODDTGJILG-LSDHHAIUSA-N 0 1 273.405 2.813 20 30 CFEDMN CCn1ccnc1[C@@H](C)N[C@@H](C)CC1(C#N)CCOCC1 ZINC000602679744 350974585 /nfs/dbraw/zinc/97/45/85/350974585.db2.gz BTEJVQXLGAKEAK-UONOGXRCSA-N 0 1 290.411 2.653 20 30 CFEDMN CCCc1ncc(CN[C@H](C)CC2(C#N)CCOCC2)o1 ZINC000602684309 350977194 /nfs/dbraw/zinc/97/71/94/350977194.db2.gz OMFPLIZZFHGUHG-CYBMUJFWSA-N 0 1 291.395 2.816 20 30 CFEDMN COC(=O)c1cnc([C@H](C)NC[C@@H](C)CCC#N)s1 ZINC000602692831 350981348 /nfs/dbraw/zinc/98/13/48/350981348.db2.gz BYSKZSUUSBHPBX-UWVGGRQHSA-N 0 1 281.381 2.520 20 30 CFEDMN CN(Cc1cccc(C#N)n1)C1CC(OC(C)(C)C)C1 ZINC000602697114 350984714 /nfs/dbraw/zinc/98/47/14/350984714.db2.gz HWTIWQVGIWVZBQ-UHFFFAOYSA-N 0 1 273.380 2.731 20 30 CFEDMN COc1cc(CN(C)CC2(CC#N)CC2)cc(OC)c1 ZINC000602762969 351016716 /nfs/dbraw/zinc/01/67/16/351016716.db2.gz IKKCQXPPHVARLB-UHFFFAOYSA-N 0 1 274.364 2.829 20 30 CFEDMN CN(C[C@H]1OCCc2ccccc21)CC1(CC#N)CC1 ZINC000602771166 351019309 /nfs/dbraw/zinc/01/93/09/351019309.db2.gz FGVAVBZIDYRHNR-MRXNPFEDSA-N 0 1 270.376 2.926 20 30 CFEDMN CCC(CC)CN(CCC#N)Cc1cc[nH]c(=O)c1 ZINC000602775808 351021742 /nfs/dbraw/zinc/02/17/42/351021742.db2.gz AZPBLLXMECGPHR-UHFFFAOYSA-N 0 1 261.369 2.939 20 30 CFEDMN Cc1ccnc(OC2CCN(CC3(CC#N)CC3)CC2)c1 ZINC000602805745 351032771 /nfs/dbraw/zinc/03/27/71/351032771.db2.gz PSJWYTDHBKGYSD-UHFFFAOYSA-N 0 1 285.391 2.927 20 30 CFEDMN Cc1noc(C)c1CO[C@H]1CCN(CC2(CC#N)CC2)C1 ZINC000602808137 351034170 /nfs/dbraw/zinc/03/41/70/351034170.db2.gz AVCAJQNDBSJOSN-AWEZNQCLSA-N 0 1 289.379 2.576 20 30 CFEDMN C[C@H]1CN(CCCCC(F)(F)F)C[C@H](C)N1CC#N ZINC000602853817 351046334 /nfs/dbraw/zinc/04/63/34/351046334.db2.gz MAPFMJMQZOGBRI-RYUDHWBXSA-N 0 1 277.334 2.637 20 30 CFEDMN CSc1ccccc1NC(=O)CCN[C@H](C)CC#N ZINC000602868255 351051626 /nfs/dbraw/zinc/05/16/26/351051626.db2.gz INDVMBYUELWNTG-LLVKDONJSA-N 0 1 277.393 2.629 20 30 CFEDMN C[C@H](CC#N)NC[C@H](O)Cc1ccc2ccccc2c1 ZINC000602871438 351054049 /nfs/dbraw/zinc/05/40/49/351054049.db2.gz RFLHKQFAVDWUQX-CXAGYDPISA-N 0 1 268.360 2.635 20 30 CFEDMN N#Cc1ccc(CN2CCC[C@H](n3ccnn3)CC2)c(F)c1 ZINC000602888630 351058573 /nfs/dbraw/zinc/05/85/73/351058573.db2.gz PENIAYRAGYTIFK-HNNXBMFYSA-N 0 1 299.353 2.516 20 30 CFEDMN Cc1ccc2cc(CN3CCN(CCC#N)CC3)ccc2n1 ZINC000602748679 351013089 /nfs/dbraw/zinc/01/30/89/351013089.db2.gz PUGJIKUGBWWFSS-UHFFFAOYSA-N 0 1 294.402 2.575 20 30 CFEDMN Cc1cc(C#N)ccc1C(=O)N1CCN(C)[C@H](C(C)(C)C)C1 ZINC000603141143 351110679 /nfs/dbraw/zinc/11/06/79/351110679.db2.gz DHPSNLBASMKXQV-INIZCTEOSA-N 0 1 299.418 2.669 20 30 CFEDMN N#CC1(CN2CCC3(CCSCC3)CC2)CC1 ZINC000602952061 351071702 /nfs/dbraw/zinc/07/17/02/351071702.db2.gz SGESAIJHDKWJLP-UHFFFAOYSA-N 0 1 250.411 2.899 20 30 CFEDMN Cc1ncc([C@@H](C)NCc2ccnc(C#N)c2)s1 ZINC000602958351 351072725 /nfs/dbraw/zinc/07/27/25/351072725.db2.gz XASWZPRRGRRKOA-SECBINFHSA-N 0 1 258.350 2.569 20 30 CFEDMN CN(CCC(=O)Nc1ccccc1F)[C@@H]1CCC[C@@H]1C#N ZINC000602975717 351075661 /nfs/dbraw/zinc/07/56/61/351075661.db2.gz GIXGBKSQASFMBX-IUODEOHRSA-N 0 1 289.354 2.778 20 30 CFEDMN COc1ccc(CCN(C)[C@@H]2CCC[C@H]2C#N)cc1 ZINC000602975821 351076463 /nfs/dbraw/zinc/07/64/63/351076463.db2.gz HVBAOJNJOMGVAV-GOEBONIOSA-N 0 1 258.365 2.862 20 30 CFEDMN CN(CCCOCC(F)(F)F)[C@@H]1CCC[C@@H]1C#N ZINC000602977060 351078103 /nfs/dbraw/zinc/07/81/03/351078103.db2.gz XGGXFYDOHZQUKA-GHMZBOCLSA-N 0 1 264.291 2.579 20 30 CFEDMN CN(C[C@H](O)CC1CCCC1)[C@@H]1CCC[C@H]1C#N ZINC000602979741 351081307 /nfs/dbraw/zinc/08/13/07/351081307.db2.gz HSZNHWOABSNYLH-RRFJBIMHSA-N 0 1 250.386 2.552 20 30 CFEDMN CN(CCC(=O)N(C)c1ccccc1)[C@H]1CCC[C@H]1C#N ZINC000602980184 351081353 /nfs/dbraw/zinc/08/13/53/351081353.db2.gz MTICYMJHZQOEOO-HOCLYGCPSA-N 0 1 285.391 2.664 20 30 CFEDMN CC1(C)CCCN(C(=O)c2cc(C(F)F)[nH]n2)[C@H]1C#N ZINC000603016515 351091134 /nfs/dbraw/zinc/09/11/34/351091134.db2.gz GVEFWOIHKJGCLG-JTQLQIEISA-N 0 1 282.294 2.502 20 30 CFEDMN Cc1[nH]n(-c2ccc(C)cc2C)c(=O)c1CCC#N ZINC000603923694 351191936 /nfs/dbraw/zinc/19/19/36/351191936.db2.gz LUMVJGWFHBTNGH-CYBMUJFWSA-N 0 1 255.321 2.946 20 30 CFEDMN CCN(CC)Cc1ccc(C(=O)N[C@](C)(C#N)CC)o1 ZINC000608777637 351470670 /nfs/dbraw/zinc/47/06/70/351470670.db2.gz WIQGUXFVLUHKDZ-HNNXBMFYSA-N 0 1 277.368 2.543 20 30 CFEDMN C[C@@H](CN(C)CC(=O)N[C@@](C)(C#N)C1CC1)c1ccccc1 ZINC000608977211 351482965 /nfs/dbraw/zinc/48/29/65/351482965.db2.gz LDQNKOURERAGNN-KSSFIOAISA-N 0 1 299.418 2.530 20 30 CFEDMN CCCc1cc(C(=O)N(CCC#N)CCC(C)C)n[nH]1 ZINC000609142929 351487723 /nfs/dbraw/zinc/48/77/23/351487723.db2.gz KFTVRKLPSNPRQW-UHFFFAOYSA-N 0 1 276.384 2.764 20 30 CFEDMN C[C@]1(c2ccccc2)C[C@@H]1NC[C@@H](C#N)CCC#N ZINC000610342527 351555993 /nfs/dbraw/zinc/55/59/93/351555993.db2.gz FEXULPMAUDLWDJ-VNQPRFMTSA-N 0 1 253.349 2.750 20 30 CFEDMN C[C@@H](N[C@H](C)c1cccc(C#N)c1)C(=O)N1CCCCCC1 ZINC000610346286 351556871 /nfs/dbraw/zinc/55/68/71/351556871.db2.gz RZMRKNGHXRXIAO-HUUCEWRRSA-N 0 1 299.418 3.000 20 30 CFEDMN CCN1CCN(c2c(C#N)cnc3c(C)cccc32)C[C@@H]1C ZINC000611084488 351638925 /nfs/dbraw/zinc/63/89/25/351638925.db2.gz BAINHOIFMLKOEG-AWEZNQCLSA-N 0 1 294.402 2.945 20 30 CFEDMN COc1cc(C#N)ccc1CN1CC[C@@H](C(F)F)C1 ZINC000611236083 351654524 /nfs/dbraw/zinc/65/45/24/351654524.db2.gz YEMNZADBGVGFDN-GFCCVEGCSA-N 0 1 266.291 2.654 20 30 CFEDMN CC(C)(C)CC(=O)N1CCN(CC(C)(C)CCC#N)CC1 ZINC000611254230 351657566 /nfs/dbraw/zinc/65/75/66/351657566.db2.gz YZFIBJCUMGLJOQ-UHFFFAOYSA-N 0 1 293.455 2.897 20 30 CFEDMN C[C@@H](NCC(=O)N1C[C@H](C)C[C@H](C)C1)c1cccc(C#N)c1 ZINC000611386253 351678025 /nfs/dbraw/zinc/67/80/25/351678025.db2.gz HCOHWOPBBRWYJK-QLFBSQMISA-N 0 1 299.418 2.713 20 30 CFEDMN C[C@H](NCC(=O)NCCC(C)(C)C)c1cccc(C#N)c1 ZINC000611386020 351678404 /nfs/dbraw/zinc/67/84/04/351678404.db2.gz ANBFDAIINFSBPR-ZDUSSCGKSA-N 0 1 287.407 2.761 20 30 CFEDMN C[C@H](N[C@@H](C)c1cccc(C#N)c1)C(=O)NC1CCCC1 ZINC000611387167 351678485 /nfs/dbraw/zinc/67/84/85/351678485.db2.gz FYVFEMKITSTCCP-STQMWFEESA-N 0 1 285.391 2.656 20 30 CFEDMN Cn1cc([C@@H](NCc2ccnc(C#N)c2)C(C)(C)C)cn1 ZINC000611404270 351683435 /nfs/dbraw/zinc/68/34/35/351683435.db2.gz OZXRPKSXUFNJTR-OAHLLOKOSA-N 0 1 283.379 2.564 20 30 CFEDMN N#Cc1ccc(CN[C@H]2CCN(c3ccccc3F)C2)o1 ZINC000291715191 198068220 /nfs/dbraw/zinc/06/82/20/198068220.db2.gz LUWOBGPEEKSQIZ-LBPRGKRZSA-N 0 1 285.322 2.659 20 30 CFEDMN Cc1cnn(CCCCCN2CCC[C@](C)(C#N)C2)c1 ZINC000612161940 351781532 /nfs/dbraw/zinc/78/15/32/351781532.db2.gz CUXNEIRRRRMEGA-MRXNPFEDSA-N 0 1 274.412 2.988 20 30 CFEDMN CCc1cnccc1[C@H](C)NCc1ccnc(C#N)c1 ZINC000611941367 351754339 /nfs/dbraw/zinc/75/43/39/351754339.db2.gz SQXBDSNHGKNRLZ-LBPRGKRZSA-N 0 1 266.348 2.761 20 30 CFEDMN C[C@@H](C(=O)Nc1ccccc1C#N)N1CC[C@@H](C)[C@@H](C)C1 ZINC000122451182 187032817 /nfs/dbraw/zinc/03/28/17/187032817.db2.gz CMCSPDDLHISCLD-RDBSUJKOSA-N 0 1 285.391 2.863 20 30 CFEDMN C[C@@H](O)C[C@@H]1CCCCN1Cc1cc(C#N)ccc1F ZINC000123731614 187106858 /nfs/dbraw/zinc/10/68/58/187106858.db2.gz WRIKSUTZYWLAPP-DOMZBBRYSA-N 0 1 276.355 2.823 20 30 CFEDMN CC(=O)N1CCCN(Cc2ccc(C(C)(C)C#N)cc2)CC1 ZINC000614160097 352054291 /nfs/dbraw/zinc/05/42/91/352054291.db2.gz DAYFLJKEJPOWAO-UHFFFAOYSA-N 0 1 299.418 2.542 20 30 CFEDMN C=CCN(C(=O)c1c[nH]c2ccccc2c1=O)C1CC1 ZINC000271452866 191145337 /nfs/dbraw/zinc/14/53/37/191145337.db2.gz VVODRJLIJRYDPU-UHFFFAOYSA-N 0 1 268.316 2.731 20 30 CFEDMN COc1ccc(CN(C)Cc2ccc(C#N)cc2C)cn1 ZINC000614403218 352090451 /nfs/dbraw/zinc/09/04/51/352090451.db2.gz LBQPBRUEUYAUPE-UHFFFAOYSA-N 0 1 281.359 2.902 20 30 CFEDMN Cc1cc(C#N)ccc1CN[C@@H](CO)c1ccc(F)cc1 ZINC000614406830 352090755 /nfs/dbraw/zinc/09/07/55/352090755.db2.gz AXHCJTYKYKKJQV-KRWDZBQOSA-N 0 1 284.334 2.829 20 30 CFEDMN C[C@](CO)(NCC#Cc1ccccc1)c1ccccc1 ZINC000134328735 539834292 /nfs/dbraw/zinc/83/42/92/539834292.db2.gz IFVALNJFBPJNFL-GOSISDBHSA-N 0 1 265.356 2.535 20 30 CFEDMN C#CCOc1ccc([C@H](C)N[C@@H](C)c2n[nH]c(CC)n2)cc1 ZINC000271491271 191171142 /nfs/dbraw/zinc/17/11/42/191171142.db2.gz LAQICOXJCAAJBZ-STQMWFEESA-N 0 1 298.390 2.791 20 30 CFEDMN C=CCOc1ccccc1CN1CCCc2n[nH]cc2C1 ZINC000668845151 539850727 /nfs/dbraw/zinc/85/07/27/539850727.db2.gz OOLSGIQQTGVPLC-UHFFFAOYSA-N 0 1 283.375 2.923 20 30 CFEDMN C=C(C)[C@@H](CO)N1CCc2cc(OCCC)ccc2C1 ZINC000678049845 539860202 /nfs/dbraw/zinc/86/02/02/539860202.db2.gz PADITPNYLNPOIV-QGZVFWFLSA-N 0 1 275.392 2.771 20 30 CFEDMN C#CCCCCC(=O)Nc1ccccc1-c1nnc[nH]1 ZINC000271517693 191188190 /nfs/dbraw/zinc/18/81/90/191188190.db2.gz GLHLKZGXEAZURC-UHFFFAOYSA-N 0 1 268.320 2.604 20 30 CFEDMN C=CCOCCNCc1nc2ccccc2n1CCC ZINC000312583012 539867423 /nfs/dbraw/zinc/86/74/23/539867423.db2.gz MUKAALRSJHXEEQ-UHFFFAOYSA-N 0 1 273.380 2.739 20 30 CFEDMN COC(=O)C(C)(C)[C@H]1CCCN(CC#Cc2ccccc2)C1 ZINC000616769334 352427735 /nfs/dbraw/zinc/42/77/35/352427735.db2.gz AAPHIXFWFYOVPV-KRWDZBQOSA-N 0 1 299.414 2.949 20 30 CFEDMN C=CC[C@@H]1CCCC[C@@H]1NC(=O)CN(C)[C@@H]1CCSC1 ZINC000617041640 352476556 /nfs/dbraw/zinc/47/65/56/352476556.db2.gz GYYBZWHVIHTRGV-KFWWJZLASA-N 0 1 296.480 2.675 20 30 CFEDMN C=CCCNC(=O)[C@H]1CCCCN1Cc1ccccc1 ZINC000617615967 352604994 /nfs/dbraw/zinc/60/49/94/352604994.db2.gz DKBUURGWMBNNNQ-MRXNPFEDSA-N 0 1 272.392 2.733 20 30 CFEDMN C=CC[C@@H]1CCCN(C(=O)c2ccc(CN(C)C)nc2)C1 ZINC000617778400 352641815 /nfs/dbraw/zinc/64/18/15/352641815.db2.gz FQAOHSWEJYSINZ-CQSZACIVSA-N 0 1 287.407 2.572 20 30 CFEDMN C=CC[C@H]1CCCN(C(=O)c2cc(-c3ccn(C)c3)[nH]n2)C1 ZINC000617778798 352642274 /nfs/dbraw/zinc/64/22/74/352642274.db2.gz OPHXUFKTXRTVNZ-ZDUSSCGKSA-N 0 1 298.390 2.844 20 30 CFEDMN C=CC[C@@H]1CCCN(C(=O)c2cc(-c3ccn(C)c3)[nH]n2)C1 ZINC000617778797 352642652 /nfs/dbraw/zinc/64/26/52/352642652.db2.gz OPHXUFKTXRTVNZ-CYBMUJFWSA-N 0 1 298.390 2.844 20 30 CFEDMN C=CC[C@@H]1CCCN(C(=O)[C@H]2CCCc3[nH]ncc32)C1 ZINC000617782610 352644941 /nfs/dbraw/zinc/64/49/41/352644941.db2.gz IZNKDFLDYHBCOH-OLZOCXBDSA-N 0 1 273.380 2.644 20 30 CFEDMN COc1ccc(CN2CCS[C@H](C)[C@@H]2C)cc1C#N ZINC000135087761 187795195 /nfs/dbraw/zinc/79/51/95/187795195.db2.gz ZIAQWGFZZLMUEE-NWDGAFQWSA-N 0 1 276.405 2.893 20 30 CFEDMN CC(C)[C@H](C#N)N1CCN(CCCCC(C)(C)C#N)CC1 ZINC000618289688 352748669 /nfs/dbraw/zinc/74/86/69/352748669.db2.gz FQPMCGMEZYTFBU-INIZCTEOSA-N 0 1 290.455 2.872 20 30 CFEDMN N#C[C@@H]1CCC[C@H](NCc2nnc(-c3ccc(F)cc3)[nH]2)C1 ZINC000618571873 352814994 /nfs/dbraw/zinc/81/49/94/352814994.db2.gz IXWYDOHLWQBVOP-RISCZKNCSA-N 0 1 299.353 2.783 20 30 CFEDMN CCCN(CCC)C(=O)CN[C@H](C)c1ccc(C#N)cc1 ZINC000271638367 191252749 /nfs/dbraw/zinc/25/27/49/191252749.db2.gz GPEMOVNRLFLIIQ-CQSZACIVSA-N 0 1 287.407 2.857 20 30 CFEDMN N#CCCN1CCN(CCSC2CCCCC2)CC1 ZINC000619719952 353058952 /nfs/dbraw/zinc/05/89/52/353058952.db2.gz OWFGHYJCHVOMSH-UHFFFAOYSA-N 0 1 281.469 2.584 20 30 CFEDMN C[C@@H](NCc1ccc(C#N)c(Cl)c1)c1ccnn1C ZINC000619755125 353063315 /nfs/dbraw/zinc/06/33/15/353063315.db2.gz UHTFQVOBNDSAGS-SNVBAGLBSA-N 0 1 274.755 2.796 20 30 CFEDMN C[C@H](NCC(=O)Nc1cccc(C#N)c1)c1ccsc1 ZINC000619783660 353066839 /nfs/dbraw/zinc/06/68/39/353066839.db2.gz WRDDNXPDYLJLRZ-NSHDSACASA-N 0 1 285.372 2.909 20 30 CFEDMN C=C1C[C@H]2CC[C@@H](C1)N2C(=O)c1c[nH]c2ccccc2c1=O ZINC000620314428 353150965 /nfs/dbraw/zinc/15/09/65/353150965.db2.gz FGRCGHHMPXDJAI-BETUJISGSA-N 0 1 294.354 2.851 20 30 CFEDMN C=CCCC(C)(C)NC(=O)[C@H]1CCCc2[nH]ncc21 ZINC000620858974 353242554 /nfs/dbraw/zinc/24/25/54/353242554.db2.gz TZSZNMFVXDSVOO-NSHDSACASA-N 0 1 261.369 2.691 20 30 CFEDMN COCCCN(CC#Cc1cccc(Cl)c1)CCOC ZINC000156280285 188252922 /nfs/dbraw/zinc/25/29/22/188252922.db2.gz KQOQRALVROOOTQ-UHFFFAOYSA-N 0 1 295.810 2.676 20 30 CFEDMN C#CCCCCNC(=O)[C@@H](c1ccccc1)N(C)CC ZINC000156635739 188273889 /nfs/dbraw/zinc/27/38/89/188273889.db2.gz HDTRYJYRLLBZMN-MRXNPFEDSA-N 0 1 272.392 2.599 20 30 CFEDMN C#CC(C)(C)N(C)Cc1cncc(Br)c1 ZINC000491615579 332242963 /nfs/dbraw/zinc/24/29/63/332242963.db2.gz FKUDLNUYAGTSCR-UHFFFAOYSA-N 0 1 267.170 2.688 20 30 CFEDMN C=CCCCN(C)Cc1cnnn1Cc1ccccc1 ZINC000292570257 198336168 /nfs/dbraw/zinc/33/61/68/198336168.db2.gz OMFQNZNKQWWUJG-UHFFFAOYSA-N 0 1 270.380 2.724 20 30 CFEDMN CC(C)CN(C(=O)CN[C@H](C)c1ccc(C#N)cc1)C1CC1 ZINC000271685418 191276395 /nfs/dbraw/zinc/27/63/95/191276395.db2.gz QHQUOUQDAVJVBY-CQSZACIVSA-N 0 1 299.418 2.856 20 30 CFEDMN CN(CC#Cc1ccc(Cl)cc1)CC(C)(C)CO ZINC000295181679 199392146 /nfs/dbraw/zinc/39/21/46/199392146.db2.gz IDSLCTSHHSVETB-UHFFFAOYSA-N 0 1 265.784 2.642 20 30 CFEDMN C=CCC(C)(C)C(=O)Nc1cc(CN(C)C)ccn1 ZINC000292740543 198394723 /nfs/dbraw/zinc/39/47/23/198394723.db2.gz JSKMJHQWJNCVEI-UHFFFAOYSA-N 0 1 261.369 2.684 20 30 CFEDMN C=CCN(CCn1ccccc1=O)Cc1cccs1 ZINC000622500207 353528461 /nfs/dbraw/zinc/52/84/61/353528461.db2.gz HHMNIWHDUAXPRO-UHFFFAOYSA-N 0 1 274.389 2.598 20 30 CFEDMN C=C1C[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1C[C@H](C)Cc2c[nH]nc21 ZINC000623225975 353596730 /nfs/dbraw/zinc/59/67/30/353596730.db2.gz ATMCQCOFGUSYIP-RABLLNBGSA-N 0 1 285.391 2.785 20 30 CFEDMN C=C1C[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1C[C@@H](C)Cc2c[nH]nc21 ZINC000623225973 353596870 /nfs/dbraw/zinc/59/68/70/353596870.db2.gz ATMCQCOFGUSYIP-HPEDKQMDSA-N 0 1 285.391 2.785 20 30 CFEDMN C=CCN(CC=C)C(=O)CN[C@@H](C)c1cccc(OC)c1 ZINC000271706871 191284427 /nfs/dbraw/zinc/28/44/27/191284427.db2.gz UKPGLKMMVFFPHS-AWEZNQCLSA-N 0 1 288.391 2.546 20 30 CFEDMN C=CC[C@@H](CO)CNCc1c(F)ccc(F)c1Cl ZINC000623483400 353654636 /nfs/dbraw/zinc/65/46/36/353654636.db2.gz DLLPMGKASOZVDB-SECBINFHSA-N 0 1 275.726 2.892 20 30 CFEDMN C[C@H](NCC(=O)N1C[C@H](C)C[C@@H](C)C1)c1ccc(C#N)cc1 ZINC000271709184 191285848 /nfs/dbraw/zinc/28/58/48/191285848.db2.gz VOVPBIOEGXFLQD-KFWWJZLASA-N 0 1 299.418 2.713 20 30 CFEDMN FC(F)C(F)(F)CN=c1[nH]c(C(F)(F)F)cs1 ZINC000624417804 353878796 /nfs/dbraw/zinc/87/87/96/353878796.db2.gz REUZSOQTYKWIPE-UHFFFAOYSA-N 0 1 282.184 2.896 20 30 CFEDMN C=CC[C@@H]1CC[N@H+](CC(=O)N([C@@H](C)C2CC2)C2CC2)C1 ZINC000625699922 354087749 /nfs/dbraw/zinc/08/77/49/354087749.db2.gz DZYLJVCHHMCIAZ-UONOGXRCSA-N 0 1 276.424 2.674 20 30 CFEDMN C=CC[C@H]1CCN(C(=O)c2cccc3c[nH]nc32)C1 ZINC000628484945 354603072 /nfs/dbraw/zinc/60/30/72/354603072.db2.gz YLXJBPMAPHDVRI-NSHDSACASA-N 0 1 255.321 2.601 20 30 CFEDMN C=CC[C@@H]1CCN(C(=O)c2cccc3n[nH]cc32)C1 ZINC000628484582 354603161 /nfs/dbraw/zinc/60/31/61/354603161.db2.gz QDCMRWDSKYRKFQ-LLVKDONJSA-N 0 1 255.321 2.601 20 30 CFEDMN C=CCCCN(C)C(=O)c1cc(-c2ccccc2O)[nH]n1 ZINC000629963777 354965960 /nfs/dbraw/zinc/96/59/60/354965960.db2.gz ROBUIJGJJCRAAU-UHFFFAOYSA-N 0 1 285.347 2.821 20 30 CFEDMN N#Cc1c(F)cccc1N[C@H]1CCCc2cn[nH]c21 ZINC000336363482 283076203 /nfs/dbraw/zinc/07/62/03/283076203.db2.gz GHWBOKABDKZAJP-ZDUSSCGKSA-N 0 1 256.284 2.910 20 30 CFEDMN C=C1CC(C)(C(=O)NC[C@@H](c2ccco2)N2CCCC2)C1 ZINC000630469795 355091530 /nfs/dbraw/zinc/09/15/30/355091530.db2.gz YVMFNAGYBOCEID-AWEZNQCLSA-N 0 1 288.391 2.889 20 30 CFEDMN C=C1CC(C)(C(=O)Nc2ccc(F)c(-c3nc[nH]n3)c2)C1 ZINC000632786326 355743878 /nfs/dbraw/zinc/74/38/78/355743878.db2.gz GHBQCKWVLOGGEN-UHFFFAOYSA-N 0 1 286.310 2.906 20 30 CFEDMN C=CCCC(C)(C)CNC(=O)C(C)(C)c1cnc[nH]1 ZINC000633965165 356045910 /nfs/dbraw/zinc/04/59/10/356045910.db2.gz JTMBSKQYQPSSEI-UHFFFAOYSA-N 0 1 263.385 2.796 20 30 CFEDMN C=CCCCC(=O)Nc1nc(-c2ccccc2OC)n[nH]1 ZINC000175278104 188943732 /nfs/dbraw/zinc/94/37/32/188943732.db2.gz QNQFDGCJCGYFKZ-UHFFFAOYSA-N 0 1 286.335 2.775 20 30 CFEDMN C=CC[C@@H](CO)NCc1cscc1Br ZINC000336667090 540264369 /nfs/dbraw/zinc/26/43/69/540264369.db2.gz VWUYPMHOUDYFRD-VIFPVBQESA-N 0 1 276.199 2.537 20 30 CFEDMN C=CCN(C)[C@H]1CCN([C@@H](C)c2ccc(F)cc2)C1=O ZINC000294479803 199056231 /nfs/dbraw/zinc/05/62/31/199056231.db2.gz HEYGMTKZHNBPNU-WFASDCNBSA-N 0 1 276.355 2.605 20 30 CFEDMN C=C(C)[C@H]1OCC[C@@H]1C[NH2+]Cc1c(F)ccc([O-])c1F ZINC000294499653 199063035 /nfs/dbraw/zinc/06/30/35/199063035.db2.gz BKILMLGVSMVLAN-MEBBXXQBSA-N 0 1 283.318 2.741 20 30 CFEDMN C#Cc1ccc(CN[C@@H](C)c2cnn(CC)c2)cc1 ZINC000294774968 199177465 /nfs/dbraw/zinc/17/74/65/199177465.db2.gz GEYCOAYFIVFQHN-ZDUSSCGKSA-N 0 1 253.349 2.735 20 30 CFEDMN CCc1nc(CNc2ccc(C#N)cc2C(F)(F)F)n[nH]1 ZINC000294862186 199218691 /nfs/dbraw/zinc/21/86/91/199218691.db2.gz DHCHEXODTXGNLZ-UHFFFAOYSA-N 0 1 295.268 2.870 20 30 CFEDMN C#CCOc1ccc(CNCc2cnn(C(C)C)c2)cc1 ZINC000294917439 199246759 /nfs/dbraw/zinc/24/67/59/199246759.db2.gz FKOVGRJQOXIYKV-UHFFFAOYSA-N 0 1 283.375 2.766 20 30 CFEDMN CC[C@@H](C)N1CCN(C(=O)/C=C/c2ccccc2C#N)CC1 ZINC000297065900 200075841 /nfs/dbraw/zinc/07/58/41/200075841.db2.gz VBAICORTKSMPST-XVJNWHFHSA-N 0 1 297.402 2.514 20 30 CFEDMN C=CCC(CC=C)C(=O)N1CCN([C@H](C)CC)CC1 ZINC000297030140 200066916 /nfs/dbraw/zinc/06/69/16/200066916.db2.gz SBNQVAFXAWEQDI-CQSZACIVSA-N 0 1 264.413 2.698 20 30 CFEDMN C=CCN(CC=C)C(=O)[C@@H](C)N[C@@H](C)c1ccsc1 ZINC000669828417 540582994 /nfs/dbraw/zinc/58/29/94/540582994.db2.gz MKLFTTCAGDHQTR-QWHCGFSZSA-N 0 1 278.421 2.988 20 30 CFEDMN COCC#CCN1CC[C@@H](C(F)(F)F)C2(CCC2)C1 ZINC000669943940 540624246 /nfs/dbraw/zinc/62/42/46/540624246.db2.gz LJLJYPFNPUEPHI-GFCCVEGCSA-N 0 1 275.314 2.691 20 30 CFEDMN C[C@@H](C(=O)Nc1ccccc1C#N)N1CC[C@@H](C)[C@H]1C ZINC000177901707 189077838 /nfs/dbraw/zinc/07/78/38/189077838.db2.gz MZWMZYJYMHWQKH-UPJWGTAASA-N 0 1 271.364 2.616 20 30 CFEDMN COC(=O)C[C@H]1CCCN1CC#Cc1cccc(Cl)c1 ZINC000179154265 189172968 /nfs/dbraw/zinc/17/29/68/189172968.db2.gz TWXMGZQTPRYEPS-OAHLLOKOSA-N 0 1 291.778 2.719 20 30 CFEDMN CCN(Cc1ccc(C#N)cc1OC)C[C@H]1CCCO1 ZINC000179657338 189210292 /nfs/dbraw/zinc/21/02/92/189210292.db2.gz DQGYNLOBGVSJHD-OAHLLOKOSA-N 0 1 274.364 2.568 20 30 CFEDMN COC[C@H](NCCOc1ccc(C#N)cc1)c1ccco1 ZINC000184554603 189389177 /nfs/dbraw/zinc/38/91/77/189389177.db2.gz GPLXGSQETVATQL-HNNXBMFYSA-N 0 1 286.331 2.507 20 30 CFEDMN CN1CC[C@H](Nc2ccc(C#N)cn2)[C@@H]1c1ccc(F)cc1 ZINC000301843047 201227996 /nfs/dbraw/zinc/22/79/96/201227996.db2.gz KKAYLDMOMVQHGN-RDJZCZTQSA-N 0 1 296.349 2.950 20 30 CFEDMN C[C@H](c1cccc(C#N)c1)N(C)Cc1cc(C#N)n(C)c1 ZINC000425364960 239030222 /nfs/dbraw/zinc/03/02/22/239030222.db2.gz HZNPTNAYJRFMNA-CYBMUJFWSA-N 0 1 278.359 2.961 20 30 CFEDMN C=CCN(C(=O)NC[C@H]1CCN1Cc1ccccc1)C1CC1 ZINC000667329013 541217247 /nfs/dbraw/zinc/21/72/47/541217247.db2.gz ZBMXVJLTUVDBPB-QGZVFWFLSA-N 0 1 299.418 2.621 20 30 CFEDMN O=C(COCc1ccccc1)Nc1nc(-c2ccco2)n[nH]1 ZINC000073973832 541221913 /nfs/dbraw/zinc/22/19/13/541221913.db2.gz YKSJAIJWQXSNHW-UHFFFAOYSA-N 0 1 298.302 2.870 20 30 CFEDMN CC(=CC=Cc1ccncc1)c1nc(C)c(C#N)c(=O)[nH]1 ZINC000435340975 240304134 /nfs/dbraw/zinc/30/41/34/240304134.db2.gz QEPHBZLFRIPJEN-KFHPBGSASA-N 0 1 278.315 2.874 20 30 CFEDMN C[C@H](O)[C@@H]1C[C@H](C)CCN1Cc1ccc(C#N)cc1F ZINC000443326997 241051587 /nfs/dbraw/zinc/05/15/87/241051587.db2.gz MBIXHIFOQLGBOF-WQGACYEGSA-N 0 1 276.355 2.679 20 30 CFEDMN N#Cc1ccc(N2CCN(CC3=CCCCC3)CC2)nc1 ZINC000450285752 242340858 /nfs/dbraw/zinc/34/08/58/242340858.db2.gz MIRKTZOJZNSDGH-UHFFFAOYSA-N 0 1 282.391 2.576 20 30 CFEDMN C=CCN1C(=O)N=NC1SCc1cccc(N(C)C)c1 ZINC000675297309 541635715 /nfs/dbraw/zinc/63/57/15/541635715.db2.gz LKJGPAOHZJAZRO-UHFFFAOYSA-N 0 1 290.392 2.528 20 30 CFEDMN COC[C@@H]1CCCN(Cc2cc(F)ccc2C#N)CC1 ZINC000452075824 243037882 /nfs/dbraw/zinc/03/78/82/243037882.db2.gz DJOBHWZHAVCXSU-CYBMUJFWSA-N 0 1 276.355 2.946 20 30 CFEDMN C=CCCN(C)C(=O)NC[C@H](c1ccsc1)N(C)C ZINC000276040638 193196460 /nfs/dbraw/zinc/19/64/60/193196460.db2.gz FYCVTMKGBXKBBE-CYBMUJFWSA-N 0 1 281.425 2.568 20 30 CFEDMN C=CCCCCCN[C@H](c1nnc[nH]1)c1cccnc1 ZINC000574338945 335012216 /nfs/dbraw/zinc/01/22/16/335012216.db2.gz HPQRZMBVOSSPSK-AWEZNQCLSA-N 0 1 271.368 2.625 20 30 CFEDMN C=CCCN(C)Cc1c(OC)cc(OC)cc1OC ZINC000276085926 193209503 /nfs/dbraw/zinc/20/95/03/193209503.db2.gz CARHIMCVWJIFPO-UHFFFAOYSA-N 0 1 265.353 2.720 20 30 CFEDMN C=CCCN(C)C(=O)c1cc(-c2ccc(OC)cc2)[nH]n1 ZINC000276335110 193290484 /nfs/dbraw/zinc/29/04/84/193290484.db2.gz FGDSBMPRMQLMKP-UHFFFAOYSA-N 0 1 285.347 2.733 20 30 CFEDMN C=CCCN(C)CCCS(=O)(=O)c1cccc(C)c1 ZINC000276339142 193291958 /nfs/dbraw/zinc/29/19/58/193291958.db2.gz CDMJAHDKJRWEPK-UHFFFAOYSA-N 0 1 281.421 2.667 20 30 CFEDMN C=CCCN(C)[C@@H](C)C(=O)Nc1ccc(OC)cc1OC ZINC000276505147 193359890 /nfs/dbraw/zinc/35/98/90/193359890.db2.gz WUUCMUQNCBJEIE-LBPRGKRZSA-N 0 1 292.379 2.539 20 30 CFEDMN C=CCCN(C)[C@H](C(=O)NC1CC1)c1ccc(F)cc1 ZINC000276530286 193369080 /nfs/dbraw/zinc/36/90/80/193369080.db2.gz ZTWYDHRBTBRNSE-HNNXBMFYSA-N 0 1 276.355 2.653 20 30 CFEDMN CC[C@H](C)c1nc([C@H](C)Nc2cccc(C#N)n2)n[nH]1 ZINC000277460988 193661155 /nfs/dbraw/zinc/66/11/55/193661155.db2.gz QNDVFDZJORJFED-UWVGGRQHSA-N 0 1 270.340 2.758 20 30 CFEDMN N#Cc1ccc(OCCSc2nc(C3CC3)n[nH]2)cc1 ZINC000012992294 372007892 /nfs/dbraw/zinc/00/78/92/372007892.db2.gz KRDGKTKWOLMUNY-UHFFFAOYSA-N 0 1 286.360 2.725 20 30 CFEDMN N#Cc1ccc(OCCSc2n[nH]c(C3CC3)n2)cc1 ZINC000012992294 372007898 /nfs/dbraw/zinc/00/78/98/372007898.db2.gz KRDGKTKWOLMUNY-UHFFFAOYSA-N 0 1 286.360 2.725 20 30 CFEDMN COc1cccc(C(=O)C(C#N)c2nc(C)cs2)c1 ZINC000041520144 372845797 /nfs/dbraw/zinc/84/57/97/372845797.db2.gz ILIUNADHAXMONV-LBPRGKRZSA-N 0 1 272.329 2.950 20 30 CFEDMN C=CCNC(=O)[C@@H](C)N[C@@H](C)c1ccc(Cl)cc1 ZINC000042220691 372889072 /nfs/dbraw/zinc/88/90/72/372889072.db2.gz ZCARHUZUYGHHID-WDEREUQCSA-N 0 1 266.772 2.681 20 30 CFEDMN CCN(Cc1ccncc1)Cc1ccc(C#N)cc1 ZINC000042307043 372904676 /nfs/dbraw/zinc/90/46/76/372904676.db2.gz RGXSCWKLYPRLJO-UHFFFAOYSA-N 0 1 251.333 2.975 20 30 CFEDMN CN(CC(=O)N(CCC#N)c1ccccc1)CC(C)(C)C ZINC000263779116 383687736 /nfs/dbraw/zinc/68/77/36/383687736.db2.gz LLZRMBWBZDBTCQ-UHFFFAOYSA-N 0 1 287.407 2.911 20 30 CFEDMN CN(CCc1ccncc1)Cc1ccc(C#N)cc1F ZINC000048260057 373154215 /nfs/dbraw/zinc/15/42/15/373154215.db2.gz GOYBPBQTHXGBED-UHFFFAOYSA-N 0 1 269.323 2.767 20 30 CFEDMN N#Cc1ccc(N2CCN(C3CC3)CC2)cc1C(F)(F)F ZINC000048995713 373246283 /nfs/dbraw/zinc/24/62/83/373246283.db2.gz MWSCRIGRROXJDY-UHFFFAOYSA-N 0 1 295.308 2.861 20 30 CFEDMN C=CCN(CCC(=O)OC)Cc1ccc(Cl)s1 ZINC000053399549 373476854 /nfs/dbraw/zinc/47/68/54/373476854.db2.gz UQWPHKBWFCYTPO-UHFFFAOYSA-N 0 1 273.785 2.953 20 30 CFEDMN CC[C@H](CC#N)N[C@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC000054184050 373504104 /nfs/dbraw/zinc/50/41/04/373504104.db2.gz BLZGFAYUUBRAMD-OLZOCXBDSA-N 0 1 281.400 2.668 20 30 CFEDMN Cc1ccc(-c2cc(C(=O)N(C)[C@H](C)CC#N)n[nH]2)cc1 ZINC000264020169 383691915 /nfs/dbraw/zinc/69/19/15/383691915.db2.gz GCTHJMFAAJFGHI-GFCCVEGCSA-N 0 1 282.347 2.759 20 30 CFEDMN CC#CC[C@@H](CO)Nc1ccnc2cc(F)ccc21 ZINC000645404584 383693743 /nfs/dbraw/zinc/69/37/43/383693743.db2.gz IOXMDTQDBAWJDI-LBPRGKRZSA-N 0 1 258.296 2.560 20 30 CFEDMN CC#CC[C@@H](CO)Nc1ccnc2cc(F)c(OC)cc21 ZINC000645407433 383695334 /nfs/dbraw/zinc/69/53/34/383695334.db2.gz WMQZAKPRTPYILQ-NSHDSACASA-N 0 1 288.322 2.569 20 30 CFEDMN O=C(Nc1nc(-c2ccccc2Cl)n[nH]1)[C@@H]1CCOC1 ZINC000066918000 373963041 /nfs/dbraw/zinc/96/30/41/373963041.db2.gz KDOLEEXBDZZUCW-MRVPVSSYSA-N 0 1 292.726 2.750 20 30 CFEDMN C=CCN1CCCC[C@@H]1CNC(=O)OC(C)(C)C ZINC000072050588 374234269 /nfs/dbraw/zinc/23/42/69/374234269.db2.gz UOLPSXLFFZCVCV-GFCCVEGCSA-N 0 1 254.374 2.552 20 30 CFEDMN COCC#CCN1CCC(N2c3ccccc3C[C@H]2C)CC1 ZINC000677818608 541910229 /nfs/dbraw/zinc/91/02/29/541910229.db2.gz DAJXHJGPBCYWQX-MRXNPFEDSA-N 0 1 298.430 2.552 20 30 CFEDMN COCC#CCN1CCC(OCC2CCCCC2)CC1 ZINC000677820586 541910992 /nfs/dbraw/zinc/91/09/92/541910992.db2.gz QTNUVYOVQGIKIS-UHFFFAOYSA-N 0 1 279.424 2.698 20 30 CFEDMN C[C@H](C(=O)N(C)CCC#N)N1CCC[C@@H]1c1cccs1 ZINC000072879275 374297186 /nfs/dbraw/zinc/29/71/86/374297186.db2.gz MVHUAGGVBWYFLQ-CHWSQXEVSA-N 0 1 291.420 2.646 20 30 CFEDMN CCN(CCC#N)C(=O)CN1CCC[C@@H]1c1cccs1 ZINC000076604234 374554756 /nfs/dbraw/zinc/55/47/56/374554756.db2.gz ZMNOQXTXRSCYQE-CYBMUJFWSA-N 0 1 291.420 2.647 20 30 CFEDMN CC(C)[C@@H]1CN(Cc2ccc(C#N)o2)CCS1 ZINC000093869179 375325393 /nfs/dbraw/zinc/32/53/93/375325393.db2.gz CVZYXRNFLHVYEU-ZDUSSCGKSA-N 0 1 250.367 2.725 20 30 CFEDMN C[C@@H](NCc1cc(C(N)=O)cs1)c1ccc(C#N)cc1 ZINC000093686177 375295429 /nfs/dbraw/zinc/29/54/29/375295429.db2.gz HUZBBKMLPKFAOD-SNVBAGLBSA-N 0 1 285.372 2.569 20 30 CFEDMN CN(CC#N)C(=O)c1cc(Cl)c2ccccc2c1O ZINC000094072586 375340031 /nfs/dbraw/zinc/34/00/31/375340031.db2.gz QFHGQMIBOBVUBU-UHFFFAOYSA-N 0 1 274.707 2.794 20 30 CFEDMN CO[C@H]1C[C@@H](N(C)Cc2ccc(C#N)cc2OC(F)F)C1 ZINC000510170012 247196268 /nfs/dbraw/zinc/19/62/68/247196268.db2.gz OUHGDJMQJYXPMH-BETUJISGSA-N 0 1 296.317 2.769 20 30 CFEDMN CCN(Cc1cccc(C#N)c1)Cc1ccccn1 ZINC000112830311 375968966 /nfs/dbraw/zinc/96/89/66/375968966.db2.gz SIPIRUUQYIIFPS-UHFFFAOYSA-N 0 1 251.333 2.975 20 30 CFEDMN C=CC[N@@H+](Cc1cccs1)[C@@H](CCC)C(=O)[O-] ZINC000574644299 335036659 /nfs/dbraw/zinc/03/66/59/335036659.db2.gz PBBNETZGZDRSNH-LBPRGKRZSA-N 0 1 253.367 2.989 20 30 CFEDMN C=CC[C@@H](C)NCc1csc(N(CC)C(C)=O)n1 ZINC000116927579 376215742 /nfs/dbraw/zinc/21/57/42/376215742.db2.gz DFDHLCROSJAQHV-SNVBAGLBSA-N 0 1 267.398 2.570 20 30 CFEDMN CCC(=O)N1CCCN([C@H](C)c2ccc(C#N)cc2)CC1 ZINC000118394012 376290757 /nfs/dbraw/zinc/29/07/57/376290757.db2.gz NUTZDCLJKBBNSB-CQSZACIVSA-N 0 1 285.391 2.564 20 30 CFEDMN CCC[N@@H+](Cc1ccnn1C)Cc1ccc(C#N)cc1 ZINC000119269883 376381558 /nfs/dbraw/zinc/38/15/58/376381558.db2.gz HBYNVQLOBPDREX-UHFFFAOYSA-N 0 1 268.364 2.704 20 30 CFEDMN CCCN(Cc1ccnn1C)Cc1ccc(C#N)cc1 ZINC000119269883 376381562 /nfs/dbraw/zinc/38/15/62/376381562.db2.gz HBYNVQLOBPDREX-UHFFFAOYSA-N 0 1 268.364 2.704 20 30 CFEDMN CC[N@@H+](CC(=O)Nc1ccc(C#N)cc1)[C@H](C)C(C)C ZINC000120264258 376580531 /nfs/dbraw/zinc/58/05/31/376580531.db2.gz XWMUNHBDUGNNLM-CYBMUJFWSA-N 0 1 273.380 2.863 20 30 CFEDMN C[N@@H+](Cc1ccc(C#N)cc1F)[C@@H]1[C@@H]2CCO[C@@H]2C1(C)C ZINC000120268274 376581130 /nfs/dbraw/zinc/58/11/30/376581130.db2.gz NQRMMMOTDLUTHY-IMJJTQAJSA-N 0 1 288.366 2.943 20 30 CFEDMN COc1cc(C#N)ccc1C[N@H+]1CCCSCC1 ZINC000121611478 376868806 /nfs/dbraw/zinc/86/88/06/376868806.db2.gz FEVYSJVICIJDGM-UHFFFAOYSA-N 0 1 262.378 2.506 20 30 CFEDMN COc1cc(C#N)ccc1CN1CCCSCC1 ZINC000121611478 376868808 /nfs/dbraw/zinc/86/88/08/376868808.db2.gz FEVYSJVICIJDGM-UHFFFAOYSA-N 0 1 262.378 2.506 20 30 CFEDMN C[S@@](=O)C[C@@H](NCc1ccc(C#N)cc1)c1ccccc1 ZINC000121823081 376913564 /nfs/dbraw/zinc/91/35/64/376913564.db2.gz YNJCDFCTQBEKPD-UTKZUKDTSA-N 0 1 298.411 2.768 20 30 CFEDMN C[S@](=O)C[C@@H](NCc1ccc(C#N)cc1)c1ccccc1 ZINC000121823229 376915064 /nfs/dbraw/zinc/91/50/64/376915064.db2.gz YNJCDFCTQBEKPD-DYESRHJHSA-N 0 1 298.411 2.768 20 30 CFEDMN N#CCC1CCN(Cc2cnn(CC(F)(F)F)c2)CC1 ZINC000571672945 383716777 /nfs/dbraw/zinc/71/67/77/383716777.db2.gz KLAVTUWYLQGRGI-UHFFFAOYSA-N 0 1 286.301 2.571 20 30 CFEDMN C=C[C@H](CC(=O)N[C@@H](CCC)c1nn[nH]n1)c1ccccc1 ZINC000122723973 376937425 /nfs/dbraw/zinc/93/74/25/376937425.db2.gz VSYQSHIKPCUVAR-OCCSQVGLSA-N 0 1 299.378 2.517 20 30 CFEDMN C[C@@]1(O)CCCN(CC#Cc2ccc(C(F)(F)F)cc2)C1 ZINC000124411980 377047106 /nfs/dbraw/zinc/04/71/06/377047106.db2.gz VJGSNZNGJFROHY-OAHLLOKOSA-N 0 1 297.320 2.904 20 30 CFEDMN C[C@]1(O)CCCN(CC#Cc2ccc(Cl)cc2)C1 ZINC000124577155 377066009 /nfs/dbraw/zinc/06/60/09/377066009.db2.gz DYRUYDWQSJJENA-HNNXBMFYSA-N 0 1 263.768 2.538 20 30 CFEDMN N#Cc1cnc2ccccc2c1N1CCN(CCCF)CC1 ZINC000125237814 377130585 /nfs/dbraw/zinc/13/05/85/377130585.db2.gz BKWWMIZSXGRACK-UHFFFAOYSA-N 0 1 298.365 2.588 20 30 CFEDMN C=CCCN(Cc1ccccc1)C[C@@H](O)C(F)(F)F ZINC000679674437 542225589 /nfs/dbraw/zinc/22/55/89/542225589.db2.gz SIXSRDPUSGSRCA-CYBMUJFWSA-N 0 1 273.298 2.988 20 30 CFEDMN CCc1nnc(N[C@@H](C)Cc2cc(C)n[nH]2)c(C#N)c1CC ZINC000133492370 377934179 /nfs/dbraw/zinc/93/41/79/377934179.db2.gz ICCCJDLLPLXURS-JTQLQIEISA-N 0 1 298.394 2.548 20 30 CFEDMN C=CCNc1ccccc1CN1C[C@@H](C)O[C@H](C)C1 ZINC000133079511 377902461 /nfs/dbraw/zinc/90/24/61/377902461.db2.gz XEEIPICBKIULCY-ZIAGYGMSSA-N 0 1 260.381 2.894 20 30 CFEDMN C[C@@H](NC(=O)[C@@H]1CCCc2[nH]ncc21)c1ccc(C#N)cc1 ZINC000134427319 378012872 /nfs/dbraw/zinc/01/28/72/378012872.db2.gz ICGOAQYEPVNQQL-BXUZGUMPSA-N 0 1 294.358 2.579 20 30 CFEDMN C=C[C@@](C)(CC)C(=O)Nc1cc(CN(C)C)ccn1 ZINC000135098278 378080965 /nfs/dbraw/zinc/08/09/65/378080965.db2.gz IHQOFCQXZNQEIB-HNNXBMFYSA-N 0 1 261.369 2.684 20 30 CFEDMN C=C[C@](C)(CC)C(=O)Nc1cc(CN(C)C)ccn1 ZINC000135098264 378081212 /nfs/dbraw/zinc/08/12/12/378081212.db2.gz IHQOFCQXZNQEIB-OAHLLOKOSA-N 0 1 261.369 2.684 20 30 CFEDMN C=CCC[C@H](O)CN[C@H](CF)c1ccc(F)cc1 ZINC000640152756 383726026 /nfs/dbraw/zinc/72/60/26/383726026.db2.gz HLCHFRWSUJMMBX-UONOGXRCSA-N 0 1 255.308 2.753 20 30 CFEDMN N#Cc1ccc(CNCc2ccc(C#N)cc2)s1 ZINC000135680697 378156453 /nfs/dbraw/zinc/15/64/53/378156453.db2.gz FZZHEQBPNCKRSG-UHFFFAOYSA-N 0 1 253.330 2.781 20 30 CFEDMN C=CCCCCCN(C)[C@H](C(N)=O)c1ccccc1 ZINC000150878482 378278135 /nfs/dbraw/zinc/27/81/35/378278135.db2.gz FKSBFFSWQHCDRK-HNNXBMFYSA-N 0 1 260.381 2.891 20 30 CFEDMN C#CCN(CC#C)CCCC(=O)Nc1c(C)cccc1C ZINC000137781580 378228324 /nfs/dbraw/zinc/22/83/24/378228324.db2.gz ZDBPXYOQXNAUMR-UHFFFAOYSA-N 0 1 282.387 2.591 20 30 CFEDMN C#CCOc1ccc([C@@H](C)NCc2cccnc2OC)cc1 ZINC000151145727 378301144 /nfs/dbraw/zinc/30/11/44/378301144.db2.gz ZINCMXKDRWHAIH-CQSZACIVSA-N 0 1 296.370 2.953 20 30 CFEDMN N#Cc1ccc(C(=O)Nc2[nH]nc3c2cccc3Cl)[nH]1 ZINC000152141279 378398390 /nfs/dbraw/zinc/39/83/90/378398390.db2.gz SQFOBCRDYYFBPW-UHFFFAOYSA-N 0 1 285.694 2.668 20 30 CFEDMN Cc1nc2cccc(C(=O)N[C@@]3(C)CCCOC3)c2[nH]1 ZINC000328696456 378416873 /nfs/dbraw/zinc/41/68/73/378416873.db2.gz KVJYKNZDUMAZEP-HNNXBMFYSA-N 0 1 273.336 2.745 20 30 CFEDMN C[C@@H]1CCN(CC(=O)NC(=O)NC2CC2)CC12CCC2 ZINC000329135507 378448596 /nfs/dbraw/zinc/44/85/96/378448596.db2.gz GJUDEYZFIPNCSQ-LLVKDONJSA-N 0 1 279.384 2.531 20 30 CFEDMN N#Cc1ccc(F)c(CN2CC[C@@H]3OCCC[C@@H]3C2)c1 ZINC000152853218 378453452 /nfs/dbraw/zinc/45/34/52/378453452.db2.gz VQKHZOMWDBBCBW-CJNGLKHVSA-N 0 1 274.339 2.698 20 30 CFEDMN Cc1csc(CCC(=O)NC2(c3nnc[nH]3)CCC2)n1 ZINC000329337932 378454961 /nfs/dbraw/zinc/45/49/61/378454961.db2.gz MUAYBIXHYJTITC-UHFFFAOYSA-N 0 1 291.380 2.538 20 30 CFEDMN O=C(CN1CCCC[C@@H]1c1nnc[nH]1)NC1CCCCC1 ZINC000329365458 378458435 /nfs/dbraw/zinc/45/84/35/378458435.db2.gz GKKKEGODCNPCFN-CYBMUJFWSA-N 0 1 291.399 2.621 20 30 CFEDMN C[C@H](Cn1cccn1)NC([O-])=[NH+]c1cnc2c(c1)CCCC2 ZINC000329362078 378458500 /nfs/dbraw/zinc/45/85/00/378458500.db2.gz CTULXZDGYJTNSB-GFCCVEGCSA-N 0 1 299.378 2.572 20 30 CFEDMN Cc1[nH]ncc1CNC(=O)c1coc(C2CCCC2)n1 ZINC000328724337 378418052 /nfs/dbraw/zinc/41/80/52/378418052.db2.gz YMGLYIKJBZUUJJ-UHFFFAOYSA-N 0 1 274.324 2.869 20 30 CFEDMN Cc1cc([C@@H]2CCCN(C(=O)NC[C@@H]3CC3(C)C)C2)n[nH]1 ZINC000328757496 378421041 /nfs/dbraw/zinc/42/10/41/378421041.db2.gz VBZGCWXUXVMEMQ-OLZOCXBDSA-N 0 1 290.411 2.858 20 30 CFEDMN C[C@@H]1CCC[C@H](NC(=O)[C@@H]2CCc3[nH]nnc3C2)[C@@H]1C ZINC000328785760 378423286 /nfs/dbraw/zinc/42/32/86/378423286.db2.gz OJJYCPAFCPFQSS-KKOKHZNYSA-N 0 1 276.384 2.691 20 30 CFEDMN C[C@@H]1CCC[C@H](NC(=O)[C@@H]2CCc3nn[nH]c3C2)[C@@H]1C ZINC000328785760 378423292 /nfs/dbraw/zinc/42/32/92/378423292.db2.gz OJJYCPAFCPFQSS-KKOKHZNYSA-N 0 1 276.384 2.691 20 30 CFEDMN Cc1noc(C)c1C(=O)N[C@@H]1CN(C)C[C@H]1c1ccccc1 ZINC000328800140 378427393 /nfs/dbraw/zinc/42/73/93/378427393.db2.gz HYUQCXZTEZDHNN-LSDHHAIUSA-N 0 1 299.374 2.694 20 30 CFEDMN CC1(C)[C@H](NC(=O)c2ccc3cncn3c2)[C@@H]2CCCO[C@@H]21 ZINC000328800494 378427797 /nfs/dbraw/zinc/42/77/97/378427797.db2.gz IIMYTFNWQZZYHK-ZNMIVQPWSA-N 0 1 299.374 2.843 20 30 CFEDMN C[C@@H]1CCCC[C@@H]1CNC(=O)[C@H]1CCc2[nH]nnc2C1 ZINC000328932026 378440900 /nfs/dbraw/zinc/44/09/00/378440900.db2.gz IEQAMDDVHFMFHC-GRYCIOLGSA-N 0 1 276.384 2.692 20 30 CFEDMN C[C@@H]1CCCC[C@@H]1CNC(=O)[C@H]1CCc2nn[nH]c2C1 ZINC000328932026 378440903 /nfs/dbraw/zinc/44/09/03/378440903.db2.gz IEQAMDDVHFMFHC-GRYCIOLGSA-N 0 1 276.384 2.692 20 30 CFEDMN N#CCCCCN1CCc2c(cccc2[N+](=O)[O-])C1 ZINC000153281681 378483774 /nfs/dbraw/zinc/48/37/74/378483774.db2.gz GCRXVTJXYZHXBE-UHFFFAOYSA-N 0 1 259.309 2.647 20 30 CFEDMN C[C@@H]1C[C@H](C(=O)NC[C@H]2[N@@H+](C)CCCC2(C)C)CC(=O)N1 ZINC000329824280 378500908 /nfs/dbraw/zinc/50/09/08/378500908.db2.gz BKDPZJYTKGHHII-FRRDWIJNSA-N 0 1 295.427 2.818 20 30 CFEDMN COCC#CCN1[C@@H](C)Cc2cc(OC)ccc2[C@@H]1C ZINC000679834902 542239570 /nfs/dbraw/zinc/23/95/70/542239570.db2.gz WHPQYMFSJMBODG-KBPBESRZSA-N 0 1 273.376 2.653 20 30 CFEDMN CCN(C([O-])=[NH+][C@H](C)Cn1cccn1)[C@@H](C)C(C)C ZINC000330463266 378562348 /nfs/dbraw/zinc/56/23/48/378562348.db2.gz NNXGMRJOPCQSHU-OLZOCXBDSA-N 0 1 266.389 2.552 20 30 CFEDMN CCC[C@@H]1CCCCN1C([O-])=[NH+][C@H]1CCn2ccnc2C1 ZINC000330275588 378533062 /nfs/dbraw/zinc/53/30/62/378533062.db2.gz LRYUXTUILMRKFR-UONOGXRCSA-N 0 1 290.411 2.767 20 30 CFEDMN Cc1cccc2nc(CNC(=O)N(C)CC(C)C)[nH]c21 ZINC000330572876 378586606 /nfs/dbraw/zinc/58/66/06/378586606.db2.gz ZDIOJRBMNLGFGJ-UHFFFAOYSA-N 0 1 274.368 2.873 20 30 CFEDMN CC(C)[C@H]1CCCC[C@H]1NC([O-])=[NH+][C@H](C)Cn1cccn1 ZINC000330598900 378589546 /nfs/dbraw/zinc/58/95/46/378589546.db2.gz XDVFIRJIJLBGDQ-RBSFLKMASA-N 0 1 292.427 2.990 20 30 CFEDMN CC(C)[C@H]1CCCC[C@H]1[NH+]=C([O-])N[C@H](C)Cn1cccn1 ZINC000330598900 378589552 /nfs/dbraw/zinc/58/95/52/378589552.db2.gz XDVFIRJIJLBGDQ-RBSFLKMASA-N 0 1 292.427 2.990 20 30 CFEDMN CN(C)c1ccc(C[N@@H+](C)Cc2ccc(C#N)o2)cc1 ZINC000155187922 378614946 /nfs/dbraw/zinc/61/49/46/378614946.db2.gz JSYYWGQCUAEAJP-UHFFFAOYSA-N 0 1 269.348 2.849 20 30 CFEDMN CN(C)c1ccc(CN(C)Cc2ccc(C#N)o2)cc1 ZINC000155187922 378614951 /nfs/dbraw/zinc/61/49/51/378614951.db2.gz JSYYWGQCUAEAJP-UHFFFAOYSA-N 0 1 269.348 2.849 20 30 CFEDMN CCc1nc(CN(CCC#N)CC(CC)CC)n[nH]1 ZINC000158792764 378673448 /nfs/dbraw/zinc/67/34/48/378673448.db2.gz SHVUSMFHYWTHIB-UHFFFAOYSA-N 0 1 263.389 2.519 20 30 CFEDMN C=CCN(CC(F)(F)F)C(=O)c1cccc2[nH]cnc21 ZINC000159230557 378696662 /nfs/dbraw/zinc/69/66/62/378696662.db2.gz VLSHZVITYSKQKD-UHFFFAOYSA-N 0 1 283.253 2.753 20 30 CFEDMN N#CCC[C@H](C#N)CN1CC2(CCC2)[C@H]1C1CCOCC1 ZINC000333381364 378822410 /nfs/dbraw/zinc/82/24/10/378822410.db2.gz KNSMGRAUQDGISE-GDBMZVCRSA-N 0 1 287.407 2.711 20 30 CFEDMN C[C@H](c1cccc(C#N)c1)N1CC[C@H]([C@@H](O)C(F)(F)F)C1 ZINC000451884345 383732317 /nfs/dbraw/zinc/73/23/17/383732317.db2.gz GKAWGFQGAQDVQY-DDTOSNHZSA-N 0 1 298.308 2.864 20 30 CFEDMN CC(C)(C#N)CNCc1ccc(-n2ccnc2)cc1 ZINC000168930346 379100089 /nfs/dbraw/zinc/10/00/89/379100089.db2.gz QERGUNMXNHYJCC-UHFFFAOYSA-N 0 1 254.337 2.512 20 30 CFEDMN C=CC[C@H](C)NCc1c(Cl)cccc1S(C)(=O)=O ZINC000168985909 379102941 /nfs/dbraw/zinc/10/29/41/379102941.db2.gz GAZGQTASEPTXPA-JTQLQIEISA-N 0 1 287.812 2.798 20 30 CFEDMN Cn1cc(CN2CC[C@](C)(F)C2)c(-c2ccc(C#N)cc2)n1 ZINC000334331396 379107933 /nfs/dbraw/zinc/10/79/33/379107933.db2.gz PIKXJDJBUDRDLT-KRWDZBQOSA-N 0 1 298.365 2.893 20 30 CFEDMN C[C@H]1CCC[N@@H+](Cc2cnc3ccc(C#N)cn23)[C@H]1C ZINC000334368503 379170963 /nfs/dbraw/zinc/17/09/63/379170963.db2.gz SMLUXZSFVOEKJM-STQMWFEESA-N 0 1 268.364 2.826 20 30 CFEDMN CCCC(=O)NC[C@@H]1CCCN(Cc2ccccc2C#N)C1 ZINC000171099799 379230274 /nfs/dbraw/zinc/23/02/74/379230274.db2.gz HOAOSFRISUAGAP-HNNXBMFYSA-N 0 1 299.418 2.687 20 30 CFEDMN CCCC(=O)NC[C@H]1CCCN(Cc2ccccc2C#N)C1 ZINC000171099804 379230322 /nfs/dbraw/zinc/23/03/22/379230322.db2.gz HOAOSFRISUAGAP-OAHLLOKOSA-N 0 1 299.418 2.687 20 30 CFEDMN CC1(C)[C@H](O)CC[N@H+]1Cc1ccc(C#N)cc1C(F)(F)F ZINC000334435238 379294306 /nfs/dbraw/zinc/29/43/06/379294306.db2.gz YZRLOYPHHWCKCU-CYBMUJFWSA-N 0 1 298.308 2.922 20 30 CFEDMN CC1(C)[C@H](O)CCN1Cc1ccc(C#N)cc1C(F)(F)F ZINC000334435238 379294313 /nfs/dbraw/zinc/29/43/13/379294313.db2.gz YZRLOYPHHWCKCU-CYBMUJFWSA-N 0 1 298.308 2.922 20 30 CFEDMN N#C[C@@H]1CN(CC2CCCC2)C[C@@]12c1ccccc1NC2=O ZINC000334426791 379278623 /nfs/dbraw/zinc/27/86/23/379278623.db2.gz ZHRDKJVVTURLHN-KDOFPFPSSA-N 0 1 295.386 2.522 20 30 CFEDMN C=CCSCCNC(=O)[C@@H](c1ccccc1)N(C)CC ZINC000171480561 379318480 /nfs/dbraw/zinc/31/84/80/379318480.db2.gz BWDRECODRUAULT-OAHLLOKOSA-N 0 1 292.448 2.715 20 30 CFEDMN C[C@H]1C[N@@H+](Cc2ccc(CC#N)cc2)CC2(CCC2)O1 ZINC000335462409 379338588 /nfs/dbraw/zinc/33/85/88/379338588.db2.gz HQLLXBAYQBPDTO-AWEZNQCLSA-N 0 1 270.376 2.896 20 30 CFEDMN C[C@H]1CN(Cc2ccc(CC#N)cc2)CC2(CCC2)O1 ZINC000335462409 379338595 /nfs/dbraw/zinc/33/85/95/379338595.db2.gz HQLLXBAYQBPDTO-AWEZNQCLSA-N 0 1 270.376 2.896 20 30 CFEDMN Cc1n[nH]cc1CNCc1cccc(OCCCC#N)c1 ZINC000171384239 379294356 /nfs/dbraw/zinc/29/43/56/379294356.db2.gz AOPSQIGHKBZKAH-UHFFFAOYSA-N 0 1 284.363 2.691 20 30 CFEDMN Cn1nccc1[C@H]1CCCN(Cc2cc(C#N)ccc2F)C1 ZINC000334472019 379358220 /nfs/dbraw/zinc/35/82/20/379358220.db2.gz HLXAZPXVEAZZBY-AWEZNQCLSA-N 0 1 298.365 2.810 20 30 CFEDMN C=Cn1cc(CNC2(c3cccc(C#N)c3)CC2)cn1 ZINC000278932742 194218145 /nfs/dbraw/zinc/21/81/45/194218145.db2.gz WMMYGCIXLLYRAF-UHFFFAOYSA-N 0 1 264.332 2.634 20 30 CFEDMN C#CCN1CCC(c2nc(-c3ccc(C)cc3)no2)CC1 ZINC000172055694 379478982 /nfs/dbraw/zinc/47/89/82/379478982.db2.gz MGHJWFPATBKYAG-UHFFFAOYSA-N 0 1 281.359 2.858 20 30 CFEDMN CC#CCN1CCC(C(=O)c2ccc(OC)cc2)CC1 ZINC000172743183 379636949 /nfs/dbraw/zinc/63/69/49/379636949.db2.gz RJANOZUCDJIUBY-UHFFFAOYSA-N 0 1 271.360 2.613 20 30 CFEDMN Cc1ccc([C@@H](CNCc2ccc(C#N)o2)N2CCCC2)o1 ZINC000174332615 379865114 /nfs/dbraw/zinc/86/51/14/379865114.db2.gz JQLXLYJNIXQJKE-MRXNPFEDSA-N 0 1 299.374 2.979 20 30 CFEDMN Cc1cc(CN[C@@H]2c3ccccc3C[C@H]2O)ccc1C#N ZINC000334766186 379909979 /nfs/dbraw/zinc/90/99/79/379909979.db2.gz XNIITAOVLRWZCT-QZTJIDSGSA-N 0 1 278.355 2.615 20 30 CFEDMN N#Cc1cccc(Cl)c1N1CCCN(C2CC2)CC1 ZINC000174708737 379930152 /nfs/dbraw/zinc/93/01/52/379930152.db2.gz ABPNNZGTMUPHOR-UHFFFAOYSA-N 0 1 275.783 2.886 20 30 CFEDMN N#Cc1cccc(CN2CCOCC3(CCC3)C2)c1 ZINC000335810824 379927080 /nfs/dbraw/zinc/92/70/80/379927080.db2.gz RLZGCZOBINNAEU-UHFFFAOYSA-N 0 1 256.349 2.561 20 30 CFEDMN N#CCc1ccc(CN2CCO[C@H]3CCC[C@H]32)cc1 ZINC000335813602 379931543 /nfs/dbraw/zinc/93/15/43/379931543.db2.gz NAHRHRCWGULYTH-CVEARBPZSA-N 0 1 256.349 2.506 20 30 CFEDMN N#C[C@@H](c1ccccc1)N1CCN([C@@H]2C=CCCC2)CC1 ZINC000176151459 380185752 /nfs/dbraw/zinc/18/57/52/380185752.db2.gz CXDDTJLTKOXPOR-MSOLQXFVSA-N 0 1 281.403 2.978 20 30 CFEDMN N#CCC1CCN(C(=O)c2ccc(O)c(Cl)c2)CC1 ZINC000336144096 380273447 /nfs/dbraw/zinc/27/34/47/380273447.db2.gz OMNZRYUVOAERMF-UHFFFAOYSA-N 0 1 278.739 2.811 20 30 CFEDMN CO[C@@H]1CCCN(CC#Cc2ccc(Cl)cc2)C1 ZINC000177113322 380304959 /nfs/dbraw/zinc/30/49/59/380304959.db2.gz IDMCOMFCJWBWEK-OAHLLOKOSA-N 0 1 263.768 2.802 20 30 CFEDMN N#C[C@@H](NC(=O)c1c(O)cccc1F)c1ccc(F)cc1 ZINC000336510898 380387382 /nfs/dbraw/zinc/38/73/82/380387382.db2.gz VNQSGJQYHPFAIZ-GFCCVEGCSA-N 0 1 288.253 2.665 20 30 CFEDMN N#Cc1c(F)cccc1CN1CCC[C@@H]([C@@H]2CCOC2)C1 ZINC000336541136 380439727 /nfs/dbraw/zinc/43/97/27/380439727.db2.gz SKPXIVQUUKZMBJ-UKRRQHHQSA-N 0 1 288.366 2.946 20 30 CFEDMN Cc1c(C#N)cccc1NC(=O)N1CC[N@H+]2CCCC[C@@H]2C1 ZINC000178579318 380466195 /nfs/dbraw/zinc/46/61/95/380466195.db2.gz HBQNMRMQVBJSSU-OAHLLOKOSA-N 0 1 298.390 2.569 20 30 CFEDMN Cc1c(C#N)cccc1NC(=O)N1CCN2CCCC[C@@H]2C1 ZINC000178579318 380466201 /nfs/dbraw/zinc/46/62/01/380466201.db2.gz HBQNMRMQVBJSSU-OAHLLOKOSA-N 0 1 298.390 2.569 20 30 CFEDMN Cc1c(C#N)cccc1NC(=O)N1CC[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000178581208 380466769 /nfs/dbraw/zinc/46/67/69/380466769.db2.gz XKBLSBKGTGOWGH-CABCVRRESA-N 0 1 298.390 2.567 20 30 CFEDMN C=C[C@H]1CCCC[N@@H+]1Cc1cc(=O)n2c(C)cccc2n1 ZINC000336569045 380480716 /nfs/dbraw/zinc/48/07/16/380480716.db2.gz IBRIUQWNIKHDLX-HNNXBMFYSA-N 0 1 283.375 2.543 20 30 CFEDMN C=C[C@H]1CCCCN1Cc1cc(=O)n2c(C)cccc2n1 ZINC000336569045 380480723 /nfs/dbraw/zinc/48/07/23/380480723.db2.gz IBRIUQWNIKHDLX-HNNXBMFYSA-N 0 1 283.375 2.543 20 30 CFEDMN N#CCC1(CNCc2ccc(Br)cn2)CC1 ZINC000336684522 380590037 /nfs/dbraw/zinc/59/00/37/380590037.db2.gz SUBRZAUZDKIYLE-UHFFFAOYSA-N 0 1 280.169 2.628 20 30 CFEDMN N#CCCN(CCC#N)Cc1cccc(Cl)c1O ZINC000180040738 380613201 /nfs/dbraw/zinc/61/32/01/380613201.db2.gz MYKZZYVHUWCGNZ-UHFFFAOYSA-N 0 1 263.728 2.675 20 30 CFEDMN C[C@H](NCc1ccc(OCC#N)cc1)c1cncc(F)c1 ZINC000180547741 380674438 /nfs/dbraw/zinc/67/44/38/380674438.db2.gz OXYCRRJCWJZPAL-LBPRGKRZSA-N 0 1 285.322 2.974 20 30 CFEDMN C=C(C)CN(C)C(=O)[C@@H](c1ccccc1)N(C)CC ZINC000180421785 380654443 /nfs/dbraw/zinc/65/44/43/380654443.db2.gz WOEZSYOVFXHSTJ-OAHLLOKOSA-N 0 1 260.381 2.714 20 30 CFEDMN C=CC[C@@H](C(=O)NCc1n[nH]c(C2CC2)n1)c1ccccc1 ZINC000295365759 380810880 /nfs/dbraw/zinc/81/08/80/380810880.db2.gz HDBIOWMWCHKXTQ-CQSZACIVSA-N 0 1 296.374 2.658 20 30 CFEDMN C=CC(C)(C)C(=O)NCCN(C)Cc1ccc(F)cc1 ZINC000295451146 380863440 /nfs/dbraw/zinc/86/34/40/380863440.db2.gz XXEHLUIXDNWXAL-UHFFFAOYSA-N 0 1 278.371 2.586 20 30 CFEDMN COc1ccncc1CN[C@@H](C)c1ccc(C#N)cc1 ZINC000287559654 380867098 /nfs/dbraw/zinc/86/70/98/380867098.db2.gz BDXGKYHOBNCFDO-LBPRGKRZSA-N 0 1 267.332 2.813 20 30 CFEDMN CCC[C@@]1(CO)CCN(Cc2ccccc2C#N)C1 ZINC000367984697 380875347 /nfs/dbraw/zinc/87/53/47/380875347.db2.gz YAGATAUOIIKAQE-MRXNPFEDSA-N 0 1 258.365 2.543 20 30 CFEDMN C=C(C)CN(CC)C(=O)[C@@H](C)N[C@H](C)c1cccc(O)c1 ZINC000181565007 380828696 /nfs/dbraw/zinc/82/86/96/380828696.db2.gz ICSPYIRVZZBHQC-ZIAGYGMSSA-N 0 1 290.407 2.856 20 30 CFEDMN C=C(C)CN(CC)C(=O)[C@H](C)N[C@H](C)c1cccc(O)c1 ZINC000181565026 380829303 /nfs/dbraw/zinc/82/93/03/380829303.db2.gz ICSPYIRVZZBHQC-KGLIPLIRSA-N 0 1 290.407 2.856 20 30 CFEDMN N#Cc1cc(CN[C@@H](CCO)c2ccccc2)ccc1F ZINC000341219930 380838515 /nfs/dbraw/zinc/83/85/15/380838515.db2.gz LUQMQNDOBIRYSV-KRWDZBQOSA-N 0 1 284.334 2.911 20 30 CFEDMN C=CCNC(=O)CN[C@H](c1ccc(F)cc1F)C(C)C ZINC000181641637 380850277 /nfs/dbraw/zinc/85/02/77/380850277.db2.gz WXJDDNFMBCJFNK-HNNXBMFYSA-N 0 1 282.334 2.554 20 30 CFEDMN CCCN(C)CC(=O)N(CC(C)C)c1ccc(C#N)cc1 ZINC000346988822 380851529 /nfs/dbraw/zinc/85/15/29/380851529.db2.gz SWJVOVSRVHHSRR-UHFFFAOYSA-N 0 1 287.407 2.889 20 30 CFEDMN C=CCOc1ccc(CN[C@@H](C)c2ccnn2C)cc1 ZINC000287634190 380893597 /nfs/dbraw/zinc/89/35/97/380893597.db2.gz UIADAOIGPNMTJP-ZDUSSCGKSA-N 0 1 271.364 2.836 20 30 CFEDMN C=C(CC)CN1CCN(c2ccc(Cl)cn2)CC1 ZINC000358514292 380898994 /nfs/dbraw/zinc/89/89/94/380898994.db2.gz VVLQTIKMDVYXOI-UHFFFAOYSA-N 0 1 265.788 2.823 20 30 CFEDMN C[C@@H]1CN(CCC2(C#N)CCCCC2)[C@H](C)CO1 ZINC000411147689 381013066 /nfs/dbraw/zinc/01/30/66/381013066.db2.gz PZCNAKNPASNGQU-ZIAGYGMSSA-N 0 1 250.386 2.960 20 30 CFEDMN COc1cc(C#N)ccc1C[N@H+]1CC[C@@]2(C1)CCCOC2 ZINC000368498393 381047098 /nfs/dbraw/zinc/04/70/98/381047098.db2.gz HKCDWTBYSGGWFN-QGZVFWFLSA-N 0 1 286.375 2.569 20 30 CFEDMN C=C[C@H](CO)N[C@@H](C)c1cnn(-c2cc(C)ccc2C)c1C ZINC000289614679 381067846 /nfs/dbraw/zinc/06/78/46/381067846.db2.gz DFYFQJVCMQUJEV-GOEBONIOSA-N 0 1 299.418 2.995 20 30 CFEDMN COCC1(C)CCN(Cc2ccc(C#N)cc2F)CC1 ZINC000358770590 381072324 /nfs/dbraw/zinc/07/23/24/381072324.db2.gz OQWGKLTVQAYHHJ-UHFFFAOYSA-N 0 1 276.355 2.946 20 30 CFEDMN C[C@]1(F)CCN(CCCOc2cccc(C#N)c2)C1 ZINC000347358287 381096288 /nfs/dbraw/zinc/09/62/88/381096288.db2.gz SGGSAFQEZUUGBV-HNNXBMFYSA-N 0 1 262.328 2.761 20 30 CFEDMN CCOC(=O)c1scnc1-c1nc2ccc(C#N)cc2[nH]1 ZINC000358839393 381116611 /nfs/dbraw/zinc/11/66/11/381116611.db2.gz CGFLQOQSVWEIMS-UHFFFAOYSA-N 0 1 298.327 2.735 20 30 CFEDMN N#Cc1cc(Cl)ccc1CN[C@H]1CCO[C@H]1C1CC1 ZINC000368904634 381160086 /nfs/dbraw/zinc/16/00/86/381160086.db2.gz LHFLRFHIUIEABF-GJZGRUSLSA-N 0 1 276.767 2.869 20 30 CFEDMN CC1(C)CN(Cc2cccc(C#N)c2)[C@H]1[C@H]1CCCO1 ZINC000289922794 381217776 /nfs/dbraw/zinc/21/77/76/381217776.db2.gz UTGXEEIZHJBHEE-CVEARBPZSA-N 0 1 270.376 2.948 20 30 CFEDMN COc1cc([C@@H](C)NCc2ccc(C#N)c(F)c2)ccn1 ZINC000347543300 381212402 /nfs/dbraw/zinc/21/24/02/381212402.db2.gz QFHZSASXGUBMEF-LLVKDONJSA-N 0 1 285.322 2.952 20 30 CFEDMN C=C[C@H](CO)N[C@H](C)c1cc(Cl)c(OC)cc1OC ZINC000289933623 381222663 /nfs/dbraw/zinc/22/26/63/381222663.db2.gz VQWDLEFEUWRYGQ-NXEZZACHSA-N 0 1 285.771 2.555 20 30 CFEDMN C=C[C@H](CO)N[C@@H](C)c1cc(Cl)c(OC)cc1OC ZINC000289933627 381222674 /nfs/dbraw/zinc/22/26/74/381222674.db2.gz VQWDLEFEUWRYGQ-VHSXEESVSA-N 0 1 285.771 2.555 20 30 CFEDMN C#Cc1ccc(CN2CCC[C@H]2[C@H](O)C(F)(F)F)cc1 ZINC000289966072 381240371 /nfs/dbraw/zinc/24/03/71/381240371.db2.gz IWHMOJGIFDLGRT-KBPBESRZSA-N 0 1 283.293 2.556 20 30 CFEDMN COc1cc([C@H](C)NCc2ccc(F)c(C#N)c2)ccn1 ZINC000347671777 381289423 /nfs/dbraw/zinc/28/94/23/381289423.db2.gz JSFZXTUAZZSJMA-NSHDSACASA-N 0 1 285.322 2.952 20 30 CFEDMN C#C[C@H](NCc1ccc(C(=O)OCC)o1)C(C)(C)C ZINC000290160987 381326129 /nfs/dbraw/zinc/32/61/29/381326129.db2.gz LULJXENUFDJZPN-ZDUSSCGKSA-N 0 1 263.337 2.594 20 30 CFEDMN C#Cc1ccc(CNCc2c(CC)nn(C)c2CC)cc1 ZINC000290203361 381341598 /nfs/dbraw/zinc/34/15/98/381341598.db2.gz DFTTWWIAXTYMEA-UHFFFAOYSA-N 0 1 281.403 2.816 20 30 CFEDMN CCOC(=O)c1cc(CNCc2cccc(C#N)c2)[nH]c1C ZINC000296346777 381356019 /nfs/dbraw/zinc/35/60/19/381356019.db2.gz IRZPDEAMQDQATI-UHFFFAOYSA-N 0 1 297.358 2.661 20 30 CFEDMN C#Cc1ccc(CN[C@@H](C)c2n[nH]c(C(C)C)n2)cc1 ZINC000290320485 381381214 /nfs/dbraw/zinc/38/12/14/381381214.db2.gz JMSFYAJGKUFDRR-LBPRGKRZSA-N 0 1 268.364 2.760 20 30 CFEDMN C=CCN1C(=O)N=NC1SCCc1cccc(F)c1F ZINC000342562015 381398428 /nfs/dbraw/zinc/39/84/28/381398428.db2.gz IPFACUULOFLOLV-UHFFFAOYSA-N 0 1 297.330 2.783 20 30 CFEDMN COc1cc([C@H](C)NCC2(CC#N)CC2)c(F)cn1 ZINC000348276754 381478383 /nfs/dbraw/zinc/47/83/83/381478383.db2.gz FBDWVRSCIIYCAD-JTQLQIEISA-N 0 1 263.316 2.574 20 30 CFEDMN C=CCOCCCN(C)Cc1nc2ccccc2n1C ZINC000348056924 381458881 /nfs/dbraw/zinc/45/88/81/381458881.db2.gz OVIYRXHFBVJMQW-UHFFFAOYSA-N 0 1 273.380 2.598 20 30 CFEDMN Cc1cc([C@@H]2CCCN2C[C@@H](O)c2ccc(C#N)cc2)no1 ZINC000370570673 381469001 /nfs/dbraw/zinc/46/90/01/381469001.db2.gz VJXUQQMZWFVSKX-DLBZAZTESA-N 0 1 297.358 2.725 20 30 CFEDMN C=CCN(CC1CCCCC1)CC1(CS(C)(=O)=O)CC1 ZINC000348189391 381469718 /nfs/dbraw/zinc/46/97/18/381469718.db2.gz SGGYJBRRPZDURY-UHFFFAOYSA-N 0 1 299.480 2.880 20 30 CFEDMN C=CCCN(C)[C@@H](C)C(=O)Nc1ccc(C)c(F)c1 ZINC000342739978 381511549 /nfs/dbraw/zinc/51/15/49/381511549.db2.gz XRZDRHYUBHPEJS-LBPRGKRZSA-N 0 1 264.344 2.969 20 30 CFEDMN N#Cc1cc(CN[C@H](CO)c2ccc(F)cc2)ccc1F ZINC000359625642 381516899 /nfs/dbraw/zinc/51/68/99/381516899.db2.gz OBHWLJNGMHPJHE-MRXNPFEDSA-N 0 1 288.297 2.660 20 30 CFEDMN CN(C)Cc1ccc(CNc2cc(C#N)ccn2)cc1F ZINC000342705921 381492036 /nfs/dbraw/zinc/49/20/36/381492036.db2.gz VVPFAZVIDHGBBH-UHFFFAOYSA-N 0 1 284.338 2.766 20 30 CFEDMN CCc1nc(CN(CC(C)C)c2ccc(C#N)cc2)n[nH]1 ZINC000354862378 381493320 /nfs/dbraw/zinc/49/33/20/381493320.db2.gz OAJJTGAWRRCZLN-UHFFFAOYSA-N 0 1 283.379 2.901 20 30 CFEDMN CCN(CC)[C@@H](C(=O)NCC(C)(C)C#N)c1ccccc1 ZINC000359631490 381522268 /nfs/dbraw/zinc/52/22/68/381522268.db2.gz CFBPGUVYJFLKNM-OAHLLOKOSA-N 0 1 287.407 2.735 20 30 CFEDMN C=C(Br)CN1CCCC[C@H]1c1n[nH]c(C)n1 ZINC000370965254 381526209 /nfs/dbraw/zinc/52/62/09/381526209.db2.gz LWBQCFCMFNBPOB-JTQLQIEISA-N 0 1 285.189 2.549 20 30 CFEDMN C=C(CNCc1cccc(OC)n1)c1ccccc1 ZINC000359731026 381583139 /nfs/dbraw/zinc/58/31/39/381583139.db2.gz OEYRMRITCMDRPO-UHFFFAOYSA-N 0 1 254.333 2.893 20 30 CFEDMN COc1cc([C@@H](C)NCC(C)(C)CC#N)c(F)cn1 ZINC000414166619 381567452 /nfs/dbraw/zinc/56/74/52/381567452.db2.gz NZBFBYNNFLBSDH-SNVBAGLBSA-N 0 1 265.332 2.820 20 30 CFEDMN CC(C)(CC#N)CN[C@@H](c1c[nH]nn1)c1ccc(F)cc1 ZINC000414175001 381568860 /nfs/dbraw/zinc/56/88/60/381568860.db2.gz YRBFJIOOSAMIIL-CQSZACIVSA-N 0 1 287.342 2.563 20 30 CFEDMN CCN(CC1(C#N)CC1)[C@@H](COC)Cc1ccccc1 ZINC000343313246 381674229 /nfs/dbraw/zinc/67/42/29/381674229.db2.gz GMWZGPCJPHXFEG-MRXNPFEDSA-N 0 1 272.392 2.870 20 30 CFEDMN CC(C)N1CCc2nc(CN(C)[C@H](C)CC#N)sc2C1 ZINC000371836346 381708241 /nfs/dbraw/zinc/70/82/41/381708241.db2.gz YOONSHBUZVQSBM-GFCCVEGCSA-N 0 1 292.452 2.644 20 30 CFEDMN CC(C)(C)OC(=O)N[C@@H]1CCC[C@@H]2CN(CCC#N)C[C@H]21 ZINC000359993943 381717370 /nfs/dbraw/zinc/71/73/70/381717370.db2.gz AIVOVFRHXOQISW-MGPQQGTHSA-N 0 1 293.411 2.525 20 30 CFEDMN CC(C)N(Cc1ccc(Cl)cc1C#N)C[C@H](C)O ZINC000360063334 381758181 /nfs/dbraw/zinc/75/81/81/381758181.db2.gz KWJUGQAKBNJUDK-NSHDSACASA-N 0 1 266.772 2.803 20 30 CFEDMN C#CCONC(=O)[C@@H](CC)c1cccc(C(F)(F)F)c1 ZINC000291267126 381729076 /nfs/dbraw/zinc/72/90/76/381729076.db2.gz NKTODLYKEKSFFZ-LBPRGKRZSA-N 0 1 285.265 2.880 20 30 CFEDMN C#CCC(C)(C)C(=O)Nc1ccc(F)c(-c2nc[nH]n2)c1 ZINC000298736144 381730217 /nfs/dbraw/zinc/73/02/17/381730217.db2.gz SWXKQWQVGUKYQA-UHFFFAOYSA-N 0 1 286.310 2.599 20 30 CFEDMN C#CCC(C)(C)C(=O)N[C@@H]1C[C@@H](C)[N@H+](Cc2ccccc2)C1 ZINC000185838201 381752124 /nfs/dbraw/zinc/75/21/24/381752124.db2.gz CYZZCIJYETWMKG-NVXWUHKLSA-N 0 1 298.430 2.815 20 30 CFEDMN C[C@@H](C#N)CN(C)CCCCC(=O)OC(C)(C)C ZINC000343552326 381792532 /nfs/dbraw/zinc/79/25/32/381792532.db2.gz OACOKDHBMGFNQC-LBPRGKRZSA-N 0 1 254.374 2.590 20 30 CFEDMN Cc1ccnc(NCCc2nc3ccc(F)cc3[nH]2)c1C#N ZINC000343533036 381779345 /nfs/dbraw/zinc/77/93/45/381779345.db2.gz QKJYLKQNNAFZMA-UHFFFAOYSA-N 0 1 295.321 2.932 20 30 CFEDMN N#CC(C(=O)c1cncnc1)c1nccc2ccccc21 ZINC000361517599 381838009 /nfs/dbraw/zinc/83/80/09/381838009.db2.gz DOZHZOJCMPAYBL-CQSZACIVSA-N 0 1 274.283 2.515 20 30 CFEDMN CCN(CC#Cc1ccc(Cl)cc1)[C@H]1CCOC1 ZINC000361586526 381847701 /nfs/dbraw/zinc/84/77/01/381847701.db2.gz ANSUPQKETWJXLB-HNNXBMFYSA-N 0 1 263.768 2.802 20 30 CFEDMN N#CCc1cccc(-c2nc(C3(N)CCCC3)no2)c1 ZINC000361606372 381849379 /nfs/dbraw/zinc/84/93/79/381849379.db2.gz GYXDKKZGQKYQSL-UHFFFAOYSA-N 0 1 268.320 2.531 20 30 CFEDMN C=CCCC1(C(=O)N2C[C@H](C)N(CC)C[C@H]2C)CC1 ZINC000361827066 381865351 /nfs/dbraw/zinc/86/53/51/381865351.db2.gz BLJABCCAFWRVFE-UONOGXRCSA-N 0 1 264.413 2.674 20 30 CFEDMN C(#Cc1ccccc1)CN1CCC(OC2CCOCC2)CC1 ZINC000372812624 381874573 /nfs/dbraw/zinc/87/45/73/381874573.db2.gz BUQZUKMYSNTSRW-UHFFFAOYSA-N 0 1 299.414 2.698 20 30 CFEDMN C=CC[C@H](CC)NC(=O)c1n[nH]nc1-c1ccccc1 ZINC000343765724 381931063 /nfs/dbraw/zinc/93/10/63/381931063.db2.gz ITNMBVIDXJEOSK-LBPRGKRZSA-N 0 1 270.336 2.556 20 30 CFEDMN N#Cc1ccc2ncc(CN3CCCC4(CC4)C3)n2c1 ZINC000186628339 381970431 /nfs/dbraw/zinc/97/04/31/381970431.db2.gz PEEYUUFWDFQFPR-UHFFFAOYSA-N 0 1 266.348 2.582 20 30 CFEDMN Cc1nc(CN[C@H]2CCC[C@H](C#N)C2)c2n1CCCC2 ZINC000373208430 381949283 /nfs/dbraw/zinc/94/92/83/381949283.db2.gz ZFAROAVYSUPVDV-KBPBESRZSA-N 0 1 272.396 2.700 20 30 CFEDMN C=C(C)CN(C)C(=O)c1ccc(Nc2ccncc2)cc1 ZINC000351539148 382044294 /nfs/dbraw/zinc/04/42/94/382044294.db2.gz VREVZTDWUXQCQZ-UHFFFAOYSA-N 0 1 281.359 2.895 20 30 CFEDMN C#C[C@H](NCc1ccc(Br)cn1)C(C)C ZINC000300930672 382066532 /nfs/dbraw/zinc/06/65/32/382066532.db2.gz NSUYMOMXYUGHOS-LBPRGKRZSA-N 0 1 267.170 2.592 20 30 CFEDMN C=C(C)CN(CC)C(=O)CN(C)[C@H]1C[C@](C)(OC)C1(C)C ZINC000362435055 382068462 /nfs/dbraw/zinc/06/84/62/382068462.db2.gz CCMKOPGUZIFEEU-YOEHRIQHSA-N 0 1 296.455 2.546 20 30 CFEDMN C=C(C)CNCc1c(Cl)cccc1N1CCOCC1 ZINC000293390665 382104373 /nfs/dbraw/zinc/10/43/73/382104373.db2.gz XBCXGAUOLVDZGK-UHFFFAOYSA-N 0 1 280.799 2.842 20 30 CFEDMN C=CCN1CC[C@@H](N2CC=C(c3ccccc3)CC2)C1=O ZINC000375607683 382093298 /nfs/dbraw/zinc/09/32/98/382093298.db2.gz NQVUQEBGNPIHFJ-QGZVFWFLSA-N 0 1 282.387 2.563 20 30 CFEDMN Fc1ccc(C#CCN2CCC([C@@H]3CCOC3)CC2)cc1 ZINC000376341932 382131782 /nfs/dbraw/zinc/13/17/82/382131782.db2.gz SRUVWIRJFDHFRH-QGZVFWFLSA-N 0 1 287.378 2.926 20 30 CFEDMN N#Cc1cc(CN[C@@H](CO)c2ccsc2)ccc1F ZINC000352034265 382143437 /nfs/dbraw/zinc/14/34/37/382143437.db2.gz ZLKZHBFEONEFSQ-AWEZNQCLSA-N 0 1 276.336 2.582 20 30 CFEDMN C[C@@H](NCc1ccc(F)cn1)c1cccc(C#N)c1 ZINC000344142873 382157007 /nfs/dbraw/zinc/15/70/07/382157007.db2.gz RJGWLBOUIPBZIM-LLVKDONJSA-N 0 1 255.296 2.943 20 30 CFEDMN CN(C)c1nc2ccc(NC(=O)CC(C)(C)C#N)cc2[nH]1 ZINC000357429151 382168280 /nfs/dbraw/zinc/16/82/80/382168280.db2.gz YASILFXIKJZTRB-UHFFFAOYSA-N 0 1 285.351 2.507 20 30 CFEDMN N#Cc1cccnc1Nc1cccc(N2CCC[NH+]=C2[O-])c1 ZINC000301508499 382173518 /nfs/dbraw/zinc/17/35/18/382173518.db2.gz CHFNFZBWGUSOSV-UHFFFAOYSA-N 0 1 293.330 2.617 20 30 CFEDMN CN(Cc1ccc(C#N)cc1OC(F)F)[C@@H]1CCCOC1 ZINC000352210058 382229310 /nfs/dbraw/zinc/22/93/10/382229310.db2.gz DUWDXIUEAMUNBE-CYBMUJFWSA-N 0 1 296.317 2.770 20 30 CFEDMN C=C(C)CN(Cc1ccc(CO)o1)C[C@H](CC)OC ZINC000419272619 382266699 /nfs/dbraw/zinc/26/66/99/382266699.db2.gz HEEHOOOPXMTRQR-ZDUSSCGKSA-N 0 1 267.369 2.575 20 30 CFEDMN C=C(C)CN(Cc1ccc(CO)o1)C[C@@H](CC)OC ZINC000419272618 382267205 /nfs/dbraw/zinc/26/72/05/382267205.db2.gz HEEHOOOPXMTRQR-CYBMUJFWSA-N 0 1 267.369 2.575 20 30 CFEDMN CC(C)[C@]1(CO)CCN(Cc2cc(C#N)ccc2F)C1 ZINC000377623569 382305267 /nfs/dbraw/zinc/30/52/67/382305267.db2.gz FMTMAPOLBHBWCH-MRXNPFEDSA-N 0 1 276.355 2.538 20 30 CFEDMN CC[N@@H+](Cc1cccs1)[C@@H](C)C(=O)NC1(C#N)CCC1 ZINC000345799174 382314416 /nfs/dbraw/zinc/31/44/16/382314416.db2.gz YQKMPOAFIAVNQH-LBPRGKRZSA-N 0 1 291.420 2.521 20 30 CFEDMN CCN(Cc1cccs1)[C@@H](C)C(=O)NC1(C#N)CCC1 ZINC000345799174 382314420 /nfs/dbraw/zinc/31/44/20/382314420.db2.gz YQKMPOAFIAVNQH-LBPRGKRZSA-N 0 1 291.420 2.521 20 30 CFEDMN CCCC[C@H](C)[N@@H+](C)CC(=O)N(CC)C[C@@H](C)C#N ZINC000352413659 382317137 /nfs/dbraw/zinc/31/71/37/382317137.db2.gz BGWLKPHZWVEZNA-KBPBESRZSA-N 0 1 267.417 2.505 20 30 CFEDMN CC(C)CNC(=O)C(C#N)c1ncc(C(C)(C)C)s1 ZINC000419843249 382322822 /nfs/dbraw/zinc/32/28/22/382322822.db2.gz XHLAYIASZMDJOI-SNVBAGLBSA-N 0 1 279.409 2.820 20 30 CFEDMN C[C@@H]1CC[C@](CO)(N(C)Cc2ccc(F)cc2C#N)C1 ZINC000188031641 382329285 /nfs/dbraw/zinc/32/92/85/382329285.db2.gz SABGUDSBSYDZLO-WBMJQRKESA-N 0 1 276.355 2.680 20 30 CFEDMN C#CCOc1ccc([C@@H](C)NCc2snnc2C)cc1 ZINC000293908099 382332199 /nfs/dbraw/zinc/33/21/99/382332199.db2.gz ZXWOKCRRFZZNGD-LLVKDONJSA-N 0 1 287.388 2.709 20 30 CFEDMN C=CCOCCNC1(c2nccs2)CCCC1 ZINC000293915386 382335173 /nfs/dbraw/zinc/33/51/73/382335173.db2.gz XHRAMMLAMPRHQR-UHFFFAOYSA-N 0 1 252.383 2.705 20 30 CFEDMN C=CC[C@@H](C)[C@H](C)NCc1ncn(-c2ccccc2)n1 ZINC000293963711 382357562 /nfs/dbraw/zinc/35/75/62/382357562.db2.gz ADPPDWNMJADADJ-KGLIPLIRSA-N 0 1 270.380 2.958 20 30 CFEDMN C=CC[C@H](CO)NCc1c(Cl)cccc1OC(F)F ZINC000680484231 542330213 /nfs/dbraw/zinc/33/02/13/542330213.db2.gz HXNUBCZUQKNQON-SECBINFHSA-N 0 1 291.725 2.968 20 30 CFEDMN Cc1cccc(NC(=O)c2ccc(C#N)c(O)c2)c1 ZINC000188208227 382367218 /nfs/dbraw/zinc/36/72/18/382367218.db2.gz DNHNUDLTHOGBCN-UHFFFAOYSA-N 0 1 252.273 2.825 20 30 CFEDMN C=CCN(C(=O)CCc1nc2cccc(C)c2[nH]1)C1CC1 ZINC000357946634 382386750 /nfs/dbraw/zinc/38/67/50/382386750.db2.gz WUQIGROVTYYXBE-UHFFFAOYSA-N 0 1 283.375 2.981 20 30 CFEDMN CS[C@H]1CCN(Cc2ccc(F)c(C#N)c2)C1 ZINC000294153649 382436184 /nfs/dbraw/zinc/43/61/84/382436184.db2.gz AHHGOICAVBDRRZ-LBPRGKRZSA-N 0 1 250.342 2.635 20 30 CFEDMN N#Cc1cccc(C[N@H+]2CC[C@H](C(F)(F)F)[C@H](CO)C2)c1 ZINC000352670594 382444185 /nfs/dbraw/zinc/44/41/85/382444185.db2.gz HCGBDIWGHBEAHA-KBPBESRZSA-N 0 1 298.308 2.551 20 30 CFEDMN N#Cc1cccc(CN2CC[C@H](C(F)(F)F)[C@H](CO)C2)c1 ZINC000352670594 382444190 /nfs/dbraw/zinc/44/41/90/382444190.db2.gz HCGBDIWGHBEAHA-KBPBESRZSA-N 0 1 298.308 2.551 20 30 CFEDMN CN(Cc1cc(F)ccc1C#N)[C@@H]1[C@@H]2CCO[C@H]2C1(C)C ZINC000378110691 382400223 /nfs/dbraw/zinc/40/02/23/382400223.db2.gz MJRGXXCZAKSOQN-ARFHVFGLSA-N 0 1 288.366 2.943 20 30 CFEDMN C=CCC[C@@H](CCC)N1CCO[C@H](c2nncn2CC)C1 ZINC000365530545 382408756 /nfs/dbraw/zinc/40/87/56/382408756.db2.gz WFAOACJDJLQYAA-CABCVRRESA-N 0 1 292.427 2.806 20 30 CFEDMN CC(C)CCn1ccc(NC(=O)c2ccc(C#N)c(O)c2)n1 ZINC000188681160 382456867 /nfs/dbraw/zinc/45/68/67/382456867.db2.gz ARTXNSPVXNIGHJ-UHFFFAOYSA-N 0 1 298.346 2.759 20 30 CFEDMN C=CCCC[C@@H](C)NC(=O)[C@]1(N(C)C)CCCSC1 ZINC000378450415 382463067 /nfs/dbraw/zinc/46/30/67/382463067.db2.gz IDXXYZTXRDGPPS-HIFRSBDPSA-N 0 1 284.469 2.675 20 30 CFEDMN COC[C@H]1CCCCN1Cc1ccc(C#N)cc1F ZINC000307772314 382469863 /nfs/dbraw/zinc/46/98/63/382469863.db2.gz VLIOKNDPNGNEDS-CQSZACIVSA-N 0 1 262.328 2.698 20 30 CFEDMN N#Cc1ccccc1SCCN1C[C@H]2CC[C@@H](C1)O2 ZINC000378626094 382492685 /nfs/dbraw/zinc/49/26/85/382492685.db2.gz VGGQPWKIDYFUOG-OKILXGFUSA-N 0 1 274.389 2.514 20 30 CFEDMN Cc1ccccc1O[C@@H](C)CNCc1nc(C#N)cs1 ZINC000352804306 382474761 /nfs/dbraw/zinc/47/47/61/382474761.db2.gz WKYNUFXUOJYIQO-LBPRGKRZSA-N 0 1 287.388 2.880 20 30 CFEDMN C=C(C)CN(CCn1ccnc1)Cc1cnn(C(C)C)c1 ZINC000352915463 382483084 /nfs/dbraw/zinc/48/30/84/382483084.db2.gz OTPAYJBSBYWHDF-UHFFFAOYSA-N 0 1 287.411 2.739 20 30 CFEDMN C=C(C)CN(Cc1cnn(C(C)C)c1)C[C@H](O)CSC ZINC000352921990 382483475 /nfs/dbraw/zinc/48/34/75/382483475.db2.gz NAFIAAXZJPLWKB-HNNXBMFYSA-N 0 1 297.468 2.566 20 30 CFEDMN C=CCC[C@@H](C)NCc1n[nH]cc1Br ZINC000308643250 382484097 /nfs/dbraw/zinc/48/40/97/382484097.db2.gz FZYFSGQUDMEVRT-MRVPVSSYSA-N 0 1 258.163 2.617 20 30 CFEDMN C=CC[C@@H](C)[C@H](C)NCc1n[nH]cc1Br ZINC000309012758 382488922 /nfs/dbraw/zinc/48/89/22/382488922.db2.gz SKKLVJAVWZSZLE-BDAKNGLRSA-N 0 1 272.190 2.863 20 30 CFEDMN FC(F)OC[C@@H]1CCN(CC#Cc2ccccc2)C1 ZINC000353033672 382490817 /nfs/dbraw/zinc/49/08/17/382490817.db2.gz ZRANYZIQBICSTN-CQSZACIVSA-N 0 1 265.303 2.599 20 30 CFEDMN CN(CC1(C#N)CCC1)C1CC(OC(C)(C)C)C1 ZINC000421005384 382504937 /nfs/dbraw/zinc/50/49/37/382504937.db2.gz JFCYRHBHFSYWNC-UHFFFAOYSA-N 0 1 250.386 2.958 20 30 CFEDMN C=CC(C)(C)C(=O)NC[C@@H](c1ccco1)N1CCCC1 ZINC000294322482 382509365 /nfs/dbraw/zinc/50/93/65/382509365.db2.gz KBLXGGUJROMRGF-ZDUSSCGKSA-N 0 1 276.380 2.745 20 30 CFEDMN C=C(Br)CN1CCC[C@@](C)(OC)CC1 ZINC000366475079 382516264 /nfs/dbraw/zinc/51/62/64/382516264.db2.gz LURJFRMZLSJGNW-LLVKDONJSA-N 0 1 262.191 2.786 20 30 CFEDMN C=CCOc1ccc(CN2CC[C@@]23CCOC3)cc1 ZINC000421395392 382516444 /nfs/dbraw/zinc/51/64/44/382516444.db2.gz IHAVPYUIJYIRHH-INIZCTEOSA-N 0 1 259.349 2.616 20 30 CFEDMN CCCc1csc(NC(=O)c2ccc(C#N)c(O)c2)n1 ZINC000189086143 382539525 /nfs/dbraw/zinc/53/95/25/382539525.db2.gz ATQUFUZEXSQJQH-UHFFFAOYSA-N 0 1 287.344 2.925 20 30 CFEDMN CN1CCC[C@H]1C(=O)NC[C@H]1CCO[C@@H]1c1ccccc1 ZINC000328609353 382553124 /nfs/dbraw/zinc/55/31/24/382553124.db2.gz CYOUTNJGUAAXOB-OWCLPIDISA-N 0 1 288.391 2.815 20 30 CFEDMN CC(=O)Nc1ccn([C@@H]2CCN(Cc3occc3C)C2)n1 ZINC000328622830 382556389 /nfs/dbraw/zinc/55/63/89/382556389.db2.gz IRZWCMVQLGGPEZ-CYBMUJFWSA-N 0 1 288.351 2.839 20 30 CFEDMN Cc1cc(C[C@H](C)NC(=O)C[C@@H]2CCCCC(=O)N2)n[nH]1 ZINC000328643106 382558517 /nfs/dbraw/zinc/55/85/17/382558517.db2.gz GECVZKHZQWMEJE-JQWIXIFHSA-N 0 1 292.383 2.895 20 30 CFEDMN N#Cc1cc2c(nc1NCCN1CC=CCC1)CCCC2 ZINC000392902217 382623082 /nfs/dbraw/zinc/62/30/82/382623082.db2.gz RCLNQKATUWOGEZ-UHFFFAOYSA-N 0 1 282.391 2.506 20 30 CFEDMN CCN(Cc1cnn(C)c1)[C@H](C)c1cccc(C#N)c1 ZINC000189834177 382642298 /nfs/dbraw/zinc/64/22/98/382642298.db2.gz BENRGCNXLAYGTL-CYBMUJFWSA-N 0 1 268.364 2.875 20 30 CFEDMN C=CCC[C@H](C(=O)N[C@H](C)c1nnc[nH]1)c1ccccc1 ZINC000190005083 382649800 /nfs/dbraw/zinc/64/98/00/382649800.db2.gz JSCOZVBEWSKRBH-OCCSQVGLSA-N 0 1 284.363 2.732 20 30 CFEDMN CC[C@H]1CN(Cc2ccc(C#N)cc2)C[C@H](CC)O1 ZINC000398533048 382636395 /nfs/dbraw/zinc/63/63/95/382636395.db2.gz RWBZUPTWXXZJIO-HOTGVXAUSA-N 0 1 258.365 2.948 20 30 CFEDMN C[C@H](C(=O)NC1CCCCC1)N1CCC(CCC#N)CC1 ZINC000399290142 382638296 /nfs/dbraw/zinc/63/82/96/382638296.db2.gz AGRSPZAOCGJKLQ-CQSZACIVSA-N 0 1 291.439 2.840 20 30 CFEDMN CN(CCOc1ccccc1F)Cc1cc(C#N)n(C)c1 ZINC000191194403 382695213 /nfs/dbraw/zinc/69/52/13/382695213.db2.gz WMTFNTKPZAYNJX-UHFFFAOYSA-N 0 1 287.338 2.547 20 30 CFEDMN CO[C@]1(C)C[C@H]([N@@H+](C)Cc2cc(C#N)n(C)c2)C1(C)C ZINC000191434674 382700379 /nfs/dbraw/zinc/70/03/79/382700379.db2.gz POGHMMLOVIDMAI-GOEBONIOSA-N 0 1 275.396 2.532 20 30 CFEDMN CCN(C1CC1)[C@H]1CCCN(c2ccc(C#N)cc2)C1=O ZINC000192538863 382709886 /nfs/dbraw/zinc/70/98/86/382709886.db2.gz JSBPPJCNNCJSLF-INIZCTEOSA-N 0 1 283.375 2.538 20 30 CFEDMN COc1cccc(C)c1NC(=O)c1ccc(C#N)c(O)c1 ZINC000192950096 382713846 /nfs/dbraw/zinc/71/38/46/382713846.db2.gz VSQGWXSPHASOFR-UHFFFAOYSA-N 0 1 282.299 2.833 20 30 CFEDMN C=CCCCCCN1CCN(c2nc(C)ns2)CC1 ZINC000193433256 382719747 /nfs/dbraw/zinc/71/97/47/382719747.db2.gz MMLMBZCRCUSXDC-UHFFFAOYSA-N 0 1 280.441 2.715 20 30 CFEDMN CC(C)C[C@@H]1COCC[N@H+]1CCCC1(C#N)CCOCC1 ZINC000337134918 382765816 /nfs/dbraw/zinc/76/58/16/382765816.db2.gz BOTOVJZZUKVUFJ-MRXNPFEDSA-N 0 1 294.439 2.834 20 30 CFEDMN C=CCN1CC[C@H]([N@H+]2CCC[C@@H]2CCc2ccccc2)C1=O ZINC000337136231 382766084 /nfs/dbraw/zinc/76/60/84/382766084.db2.gz NALLVBKZEGSGDW-MSOLQXFVSA-N 0 1 298.430 2.871 20 30 CFEDMN C[C@H](N[C@@H]1CCN(C(C)(C)C)C1=O)c1cccc(C#N)c1 ZINC000575741377 382797472 /nfs/dbraw/zinc/79/74/72/382797472.db2.gz YKOLZUXWSGYAFL-SWLSCSKDSA-N 0 1 285.391 2.608 20 30 CFEDMN C=C(C)C[C@H](C)C(=O)Nc1ncc(C(F)(F)F)[nH]1 ZINC000337628732 382849877 /nfs/dbraw/zinc/84/98/77/382849877.db2.gz MICZYVURHLAYAY-ZETCQYMHSA-N 0 1 261.247 2.969 20 30 CFEDMN CN(CCCOc1ccccc1)Cc1ccc(C#N)cn1 ZINC000576332706 382818512 /nfs/dbraw/zinc/81/85/12/382818512.db2.gz IHNZBLPDMMEFQP-UHFFFAOYSA-N 0 1 281.359 2.854 20 30 CFEDMN N#Cc1ccc(F)c(CN2CC[C@@]3(O)CCCC[C@H]3C2)c1 ZINC000227361012 382836873 /nfs/dbraw/zinc/83/68/73/382836873.db2.gz ZANWCAOWBWRVOF-RDJZCZTQSA-N 0 1 288.366 2.824 20 30 CFEDMN COc1cc(CN[C@@H](C)c2ccccn2)ccc1C#N ZINC000234939002 382875891 /nfs/dbraw/zinc/87/58/91/382875891.db2.gz PHPULGWHSCIDBC-LBPRGKRZSA-N 0 1 267.332 2.813 20 30 CFEDMN C=CC[N@H+](C)[C@H](C(=O)[O-])c1ccccc1C(F)(F)F ZINC000578329869 382910869 /nfs/dbraw/zinc/91/08/69/382910869.db2.gz QUAVEBBFMNFYMN-NSHDSACASA-N 0 1 273.254 2.949 20 30 CFEDMN Cc1cccc(C)c1NC(=O)CN[C@H]1CC[C@@H](C#N)C1 ZINC000442634018 382939769 /nfs/dbraw/zinc/93/97/69/382939769.db2.gz LTDIRVAHAIPGJO-KGLIPLIRSA-N 0 1 271.364 2.524 20 30 CFEDMN C[C@H]1CN(C(=O)c2ccc(C#N)c(O)c2)c2ccccc2O1 ZINC000442648259 382941409 /nfs/dbraw/zinc/94/14/09/382941409.db2.gz KLRUGBHNNVXKNI-NSHDSACASA-N 0 1 294.310 2.692 20 30 CFEDMN C[C@@H](NC(=O)OC(C)(C)C)[C@@H]1CCN(CC2(C#N)CC2)C1 ZINC000494955132 382945781 /nfs/dbraw/zinc/94/57/81/382945781.db2.gz RMIAYKWPIWUMQR-CHWSQXEVSA-N 0 1 293.411 2.525 20 30 CFEDMN C=CCCS(=O)(=O)Nc1cccc2c(OC)ccnc12 ZINC000536612730 382955849 /nfs/dbraw/zinc/95/58/49/382955849.db2.gz JSDKARKQKPTUIA-UHFFFAOYSA-N 0 1 292.360 2.561 20 30 CFEDMN Cn1ccnc1[C@@H]1CCN(CC#Cc2cccc(Cl)c2)C1 ZINC000536593708 382955922 /nfs/dbraw/zinc/95/59/22/382955922.db2.gz WCMSFGMHSNALNF-OAHLLOKOSA-N 0 1 299.805 2.915 20 30 CFEDMN C=C(Cl)CN1CC[C@H]([C@@H](C)NC(=O)OC(C)(C)C)C1 ZINC000495068329 382957757 /nfs/dbraw/zinc/95/77/57/382957757.db2.gz RIZSSIIUXGZODC-NEPJUHHUSA-N 0 1 288.819 2.974 20 30 CFEDMN C[C@H]1CCCC[C@H]1N(C)C(=O)CN1CCC(CC#N)CC1 ZINC000541024758 382964879 /nfs/dbraw/zinc/96/48/79/382964879.db2.gz POTHIZQBZIOYJY-GOEBONIOSA-N 0 1 291.439 2.649 20 30 CFEDMN CCN(C[C@@H](C)C#N)C[C@H]1CCN(C(=O)c2ccccc2)C1 ZINC000338238090 382959619 /nfs/dbraw/zinc/95/96/19/382959619.db2.gz XYJNSUFFUGRHDL-JKSUJKDBSA-N 0 1 299.418 2.630 20 30 CFEDMN C=CCCC[C@H](C)NC(=O)N1C[C@@H](C)N(CC)C[C@H]1C ZINC000539392404 382961424 /nfs/dbraw/zinc/96/14/24/382961424.db2.gz WZGMDAJZYPAPTN-RRFJBIMHSA-N 0 1 281.444 2.855 20 30 CFEDMN C[C@@H]1C[C@H](C)CN1Cc1nnc(-c2cccc(C#N)c2)o1 ZINC000441427732 382914856 /nfs/dbraw/zinc/91/48/56/382914856.db2.gz HUWHUHXORHDCKB-NWDGAFQWSA-N 0 1 282.347 2.839 20 30 CFEDMN C[C@H](O)CN(Cc1ccc(C#N)o1)Cc1ccccc1 ZINC000534344292 382928277 /nfs/dbraw/zinc/92/82/77/382928277.db2.gz YYUXXCBPRLJFHF-ZDUSSCGKSA-N 0 1 270.332 2.534 20 30 CFEDMN COC(=O)c1cccc(CN2C[C@H](C)C[C@@H](C)C2)c1C#N ZINC000534487975 382931692 /nfs/dbraw/zinc/93/16/92/382931692.db2.gz XUKQUAUGHLJNCD-CHWSQXEVSA-N 0 1 286.375 2.823 20 30 CFEDMN N#C[C@H]1CC[C@@H](Nc2ccc(CCN3CCOCC3)cc2)C1 ZINC000442877645 382963447 /nfs/dbraw/zinc/96/34/47/382963447.db2.gz XFVCTMWNQQYUMR-FUHWJXTLSA-N 0 1 299.418 2.665 20 30 CFEDMN COCCN(Cc1ccc(C#N)cc1[N+](=O)[O-])CC(C)C ZINC000579014970 382975969 /nfs/dbraw/zinc/97/59/69/382975969.db2.gz YPCVWTGHGGVQRT-UHFFFAOYSA-N 0 1 291.351 2.571 20 30 CFEDMN N#CC(C(=O)c1sccc1C1CC1)c1ccncn1 ZINC000545447183 382977738 /nfs/dbraw/zinc/97/77/38/382977738.db2.gz HJTSTBLXYQLYQG-LLVKDONJSA-N 0 1 269.329 2.906 20 30 CFEDMN N#C[C@@H](C(=O)c1sccc1C1CC1)c1ccncn1 ZINC000545447183 382977742 /nfs/dbraw/zinc/97/77/42/382977742.db2.gz HJTSTBLXYQLYQG-LLVKDONJSA-N 0 1 269.329 2.906 20 30 CFEDMN C=CCNC(=O)CN1CC[C@H](C)[C@@H]1c1cccc(F)c1 ZINC000245408583 382999377 /nfs/dbraw/zinc/99/93/77/382999377.db2.gz HYPZTPSANHCEOZ-BLLLJJGKSA-N 0 1 276.355 2.511 20 30 CFEDMN Cc1c(CN(C)[C@H](C)c2cccc(C#N)c2)cnn1C ZINC000447797304 383006858 /nfs/dbraw/zinc/00/68/58/383006858.db2.gz IEOZPVAEXILDDR-GFCCVEGCSA-N 0 1 268.364 2.793 20 30 CFEDMN C=C(C)CCN(CC(=O)OC(C)(C)C)C1CCOCC1 ZINC000579361576 383008799 /nfs/dbraw/zinc/00/87/99/383008799.db2.gz YWKOTRHWTANHHM-UHFFFAOYSA-N 0 1 283.412 2.775 20 30 CFEDMN C[C@@H]1CCC[C@H](NC(=O)CN2CCC(CC#N)CC2)[C@H]1C ZINC000542878558 382970779 /nfs/dbraw/zinc/97/07/79/382970779.db2.gz GFGAOMARDWNMLI-YCPHGPKFSA-N 0 1 291.439 2.553 20 30 CFEDMN C[C@H]([C@@H]1Cc2ccccc2O1)N(C)Cc1ccc(C#N)cn1 ZINC000579727680 383047855 /nfs/dbraw/zinc/04/78/55/383047855.db2.gz UKDMZTZGZWORLC-ACJLOTCBSA-N 0 1 293.370 2.777 20 30 CFEDMN C=CCCC[C@@H](C)NC(=O)N1CCN(C)C[C@H]1C(C)C ZINC000245958372 383052812 /nfs/dbraw/zinc/05/28/12/383052812.db2.gz XSDUPKWFNGZLIH-CABCVRRESA-N 0 1 281.444 2.713 20 30 CFEDMN CC(C)[C@@H](CNC(=O)OC(C)(C)C)CN(C)C[C@H](C)C#N ZINC000496064599 383059953 /nfs/dbraw/zinc/05/99/53/383059953.db2.gz HBGYCSHEQWBPOJ-KGLIPLIRSA-N 0 1 297.443 2.875 20 30 CFEDMN C=CCCCCCNC(=O)N1CCN(C)C[C@@H]1C(C)C ZINC000579849909 383060156 /nfs/dbraw/zinc/06/01/56/383060156.db2.gz GPFBSQNADLBZEY-OAHLLOKOSA-N 0 1 281.444 2.714 20 30 CFEDMN CN([C@H]1CC1(C)C)[C@H]1CCCN(c2ccc(C#N)cc2)C1=O ZINC000447878530 383020549 /nfs/dbraw/zinc/02/05/49/383020549.db2.gz MDTMRDOHFLUVKA-HOTGVXAUSA-N 0 1 297.402 2.784 20 30 CFEDMN CN([C@@H]1CC1(C)C)[C@H]1CCCN(c2ccc(C#N)cc2)C1=O ZINC000447878532 383020926 /nfs/dbraw/zinc/02/09/26/383020926.db2.gz MDTMRDOHFLUVKA-JKSUJKDBSA-N 0 1 297.402 2.784 20 30 CFEDMN COc1cc(CNCc2cnc3ccccn23)ccc1C#N ZINC000589322727 383119831 /nfs/dbraw/zinc/11/98/31/383119831.db2.gz DQHKZZVCEHGKGY-UHFFFAOYSA-N 0 1 292.342 2.504 20 30 CFEDMN CC(C)(C)OC(=O)N1CCC[C@@H](NCC2(C#N)CCC2)C1 ZINC000496833539 383125614 /nfs/dbraw/zinc/12/56/14/383125614.db2.gz BMMVWIIFRIOFJM-CYBMUJFWSA-N 0 1 293.411 2.669 20 30 CFEDMN C[C@H]1[C@@H](NC(=O)OC(C)(C)C)CC[N@H+]1CCC(C)(C)C#N ZINC000496949304 383128458 /nfs/dbraw/zinc/12/84/58/383128458.db2.gz LZWRCCPBLJLFBO-STQMWFEESA-N 0 1 295.427 2.914 20 30 CFEDMN CC(C)(C)OC(=O)NCCCN(CCC#N)CC1CC1 ZINC000496303977 383085781 /nfs/dbraw/zinc/08/57/81/383085781.db2.gz JUBLPUTZXMMSOH-UHFFFAOYSA-N 0 1 281.400 2.527 20 30 CFEDMN C=C[C@H](CC(=O)N1CCN(C)C[C@H]1CC)c1ccccc1 ZINC000583773489 383092561 /nfs/dbraw/zinc/09/25/61/383092561.db2.gz ZIVYFHSAIJLKBW-NVXWUHKLSA-N 0 1 286.419 2.899 20 30 CFEDMN COC(=O)c1cccc(CN(C)[C@@H]2CC[C@@H](C)C2)c1C#N ZINC000584506378 383108677 /nfs/dbraw/zinc/10/86/77/383108677.db2.gz YATTWKFWEIHKHJ-TZMCWYRMSA-N 0 1 286.375 2.965 20 30 CFEDMN CN(C(=O)c1cccc(C(F)(F)F)c1O)C1(C#N)CCC1 ZINC000565176600 383176656 /nfs/dbraw/zinc/17/66/56/383176656.db2.gz GWXKGELSQJPNCL-UHFFFAOYSA-N 0 1 298.264 2.929 20 30 CFEDMN CN(Cc1ccco1)Cc1ccccc1CNCCC#N ZINC000566063995 383183339 /nfs/dbraw/zinc/18/33/39/383183339.db2.gz UYVKDHXMERAVLF-UHFFFAOYSA-N 0 1 283.375 2.915 20 30 CFEDMN C=CCOCCN(Cc1cccs1)[C@@H]1C=C[C@H](CO)C1 ZINC000339197095 383183405 /nfs/dbraw/zinc/18/34/05/383183405.db2.gz FYYTXXZVHOOBLL-LSDHHAIUSA-N 0 1 293.432 2.690 20 30 CFEDMN C=CCCCCN1CCN(c2nccs2)CC1 ZINC000517503332 383184049 /nfs/dbraw/zinc/18/40/49/383184049.db2.gz UILVOGMUTAQYGE-UHFFFAOYSA-N 0 1 251.399 2.621 20 30 CFEDMN CC(C)CN(C(=O)CN1CCC(CCC#N)CC1)C(C)C ZINC000566172068 383184521 /nfs/dbraw/zinc/18/45/21/383184521.db2.gz AHZXURYXNUVBNG-UHFFFAOYSA-N 0 1 293.455 2.895 20 30 CFEDMN Cc1csc(C(C#N)C(=O)c2ccnn2CC(C)C)n1 ZINC000566214551 383185589 /nfs/dbraw/zinc/18/55/89/383185589.db2.gz RECPQUVEMLBLAG-NSHDSACASA-N 0 1 288.376 2.794 20 30 CFEDMN C[C@H](NCc1ccc(C#N)cc1F)c1cc[nH]c(=O)c1 ZINC000339459139 383204240 /nfs/dbraw/zinc/20/42/40/383204240.db2.gz JCTJEXVPZAYFMM-JTQLQIEISA-N 0 1 271.295 2.649 20 30 CFEDMN CC(C)N(Cc1ccc(C#N)cc1)Cc1cnccn1 ZINC000566723858 383204839 /nfs/dbraw/zinc/20/48/39/383204839.db2.gz YVXBYYVRZLBKMQ-UHFFFAOYSA-N 0 1 266.348 2.759 20 30 CFEDMN Cc1cc2[nH]ncc2cc1NC(=O)C1(C#N)CC(C)C1 ZINC000555410020 383148014 /nfs/dbraw/zinc/14/80/14/383148014.db2.gz ONZZVICVEWFVRW-UHFFFAOYSA-N 0 1 268.320 2.750 20 30 CFEDMN C=CCCCCCNC(=O)[C@H]1CCCc2[nH]cnc21 ZINC000515433669 383160187 /nfs/dbraw/zinc/16/01/87/383160187.db2.gz XGGPDWVFYXIVFB-LBPRGKRZSA-N 0 1 261.369 2.692 20 30 CFEDMN CC(C)[C@H](CC(F)(F)F)NC[C@H](C#N)CCC#N ZINC000563013349 383163842 /nfs/dbraw/zinc/16/38/42/383163842.db2.gz IZMPIIMHXFXXQU-QWRGUYRKSA-N 0 1 261.291 2.997 20 30 CFEDMN C[C@H]1CCN(Cc2cc(C#N)ccc2F)C[C@H]1n1ccnc1 ZINC000247385545 383169010 /nfs/dbraw/zinc/16/90/10/383169010.db2.gz IEYOAFNTWCHQAJ-SUMWQHHRSA-N 0 1 298.365 2.977 20 30 CFEDMN C[C@](C#N)(NC(=O)CN1CCC(C)(C)C1)C1CCCCC1 ZINC000519604215 383229898 /nfs/dbraw/zinc/22/98/98/383229898.db2.gz FGTKTPGFZYOPHB-QGZVFWFLSA-N 0 1 291.439 2.697 20 30 CFEDMN CC(C)[C@@]1(CO)CCCN(Cc2cc(C#N)ccc2F)C1 ZINC000339706486 383292800 /nfs/dbraw/zinc/29/28/00/383292800.db2.gz OQJSRCKNPWRPGP-KRWDZBQOSA-N 0 1 290.382 2.928 20 30 CFEDMN C=CCN(Cc1cccs1)C[C@@H](O)C[C@@](C)(O)C1CC1 ZINC000634641148 383294698 /nfs/dbraw/zinc/29/46/98/383294698.db2.gz NTVBIMGUSGYJEL-GOEBONIOSA-N 0 1 295.448 2.648 20 30 CFEDMN CO[C@@H]1CC[N@@H+](CC#Cc2ccc(C(F)(F)F)cc2)C1 ZINC000426441012 383400240 /nfs/dbraw/zinc/40/02/40/383400240.db2.gz UQORUUPCISZOEJ-CQSZACIVSA-N 0 1 283.293 2.778 20 30 CFEDMN CO[C@@H]1CCN(CC#Cc2ccc(C(F)(F)F)cc2)C1 ZINC000426441012 383400245 /nfs/dbraw/zinc/40/02/45/383400245.db2.gz UQORUUPCISZOEJ-CQSZACIVSA-N 0 1 283.293 2.778 20 30 CFEDMN C=C(C)C(C)(C)C(=O)N=c1cc(-c2ccc(C)o2)[nH][nH]1 ZINC000425279476 383358111 /nfs/dbraw/zinc/35/81/11/383358111.db2.gz LMADISZOLXLVPU-UHFFFAOYSA-N 0 1 273.336 2.941 20 30 CFEDMN CCOc1ccccc1OCCN[C@H](CC)CC#N ZINC000568104692 383358846 /nfs/dbraw/zinc/35/88/46/383358846.db2.gz CBJINSVJAAGTNY-CYBMUJFWSA-N 0 1 262.353 2.746 20 30 CFEDMN C=C(C)CN(CC)Cc1ccc(C(=O)OCC)cn1 ZINC000450246351 383387142 /nfs/dbraw/zinc/38/71/42/383387142.db2.gz QNSULRNWUHAHPF-UHFFFAOYSA-N 0 1 262.353 2.656 20 30 CFEDMN CC(C)O[C@@]1(C)C[C@H]1NCc1ccc(C#N)cc1F ZINC000527801103 383471619 /nfs/dbraw/zinc/47/16/19/383471619.db2.gz HEVYRHHEWMFJRI-CABCVRRESA-N 0 1 262.328 2.743 20 30 CFEDMN CC[C@@]1(CNC[C@H](C#N)CCC#N)OCCc2ccccc21 ZINC000569178386 383473841 /nfs/dbraw/zinc/47/38/41/383473841.db2.gz UNSHSZUKRRGUHN-YJBOKZPZSA-N 0 1 297.402 2.898 20 30 CFEDMN C=C(C)CN(CC)C(=O)CN1CCc2cccc(C)c2C1 ZINC000429573734 383547982 /nfs/dbraw/zinc/54/79/82/383547982.db2.gz NNFZAYLZUHGOSM-UHFFFAOYSA-N 0 1 286.419 2.778 20 30 CFEDMN Cc1cc(CN[C@@H](CO)c2ccccc2)ccc1C#N ZINC000488121852 383497376 /nfs/dbraw/zinc/49/73/76/383497376.db2.gz GLARYPXFDMBOBJ-KRWDZBQOSA-N 0 1 266.344 2.690 20 30 CFEDMN Cc1cc(CN2CCc3ccccc3[C@H]2CO)ccc1C#N ZINC000488129109 383498599 /nfs/dbraw/zinc/49/85/99/383498599.db2.gz MZCOAKBJAKNFHX-LJQANCHMSA-N 0 1 292.382 2.958 20 30 CFEDMN Cc1cc(CN2CCOC(C)(C)[C@@H]2C)ccc1C#N ZINC000488204842 383505815 /nfs/dbraw/zinc/50/58/15/383505815.db2.gz RTYREAJHOCRINU-ZDUSSCGKSA-N 0 1 258.365 2.866 20 30 CFEDMN CCCN1C(=O)N=NC1SCc1cccc(F)c1C#N ZINC000488230075 383505860 /nfs/dbraw/zinc/50/58/60/383505860.db2.gz IKSIAVBHDVQPHJ-UHFFFAOYSA-N 0 1 292.339 2.697 20 30 CFEDMN Cc1nc2ccc(NC(=O)Cc3ccc(C#N)cc3)cc2[nH]1 ZINC000340965796 383511860 /nfs/dbraw/zinc/51/18/60/383511860.db2.gz BZQKBKZMZNJYQF-UHFFFAOYSA-N 0 1 290.326 2.924 20 30 CFEDMN N#Cc1c(F)cccc1CN[C@H](CO)C1CCCCC1 ZINC000569587811 383516299 /nfs/dbraw/zinc/51/62/99/383516299.db2.gz PWADUTKIYLKZCK-MRXNPFEDSA-N 0 1 276.355 2.728 20 30 CFEDMN C[C@@H]1CN(C(=O)C(C)(C)C)C[C@H](C)N1CCCCC#N ZINC000429392767 383527412 /nfs/dbraw/zinc/52/74/12/383527412.db2.gz HIQKTYSLOQLKFI-OKILXGFUSA-N 0 1 279.428 2.648 20 30 CFEDMN CC(=Cc1ccc(C)c(F)c1)c1nc(C)c(C#N)c(=O)[nH]1 ZINC000569787640 383537495 /nfs/dbraw/zinc/53/74/95/383537495.db2.gz AWJUYQZGSGXQCT-UXBLZVDNSA-N 0 1 283.306 2.958 20 30 CFEDMN CO[C@@H]1CCCC[C@H]1NCc1ccc(F)cc1C#N ZINC000429509103 383537999 /nfs/dbraw/zinc/53/79/99/383537999.db2.gz FDZCQPKIQXMRJT-HUUCEWRRSA-N 0 1 262.328 2.745 20 30 CFEDMN N#CCC1CCN([C@H]2CCN(C3CCCCC3)C2=O)CC1 ZINC000528443994 383540346 /nfs/dbraw/zinc/54/03/46/383540346.db2.gz TYTJMXFXBBKHKQ-INIZCTEOSA-N 0 1 289.423 2.546 20 30 CFEDMN COCC1(C)CCN(Cc2cccc(C#N)c2F)CC1 ZINC000341122968 383572714 /nfs/dbraw/zinc/57/27/14/383572714.db2.gz GXKZKIILLCPQCB-UHFFFAOYSA-N 0 1 276.355 2.946 20 30 CFEDMN COCCC1CCN(CC#Cc2ccc(F)cc2)CC1 ZINC000528577932 383582894 /nfs/dbraw/zinc/58/28/94/383582894.db2.gz STHSYFZSAZYZTE-UHFFFAOYSA-N 0 1 275.367 2.926 20 30 CFEDMN C[C@@H](NCC1(CC#N)CC1)c1nc2ccccc2n1C ZINC000430745128 383598044 /nfs/dbraw/zinc/59/80/44/383598044.db2.gz VWLOUZXCGOXXBL-GFCCVEGCSA-N 0 1 268.364 2.918 20 30 CFEDMN C[C@H](COc1cccc(F)c1)NC[C@H](C#N)CCC#N ZINC000570444053 383604292 /nfs/dbraw/zinc/60/42/92/383604292.db2.gz LEAOFMCNWYSRQK-OLZOCXBDSA-N 0 1 275.327 2.626 20 30 CFEDMN N#Cc1c(F)cccc1CN1CCC[C@@H]1[C@@H]1CCC[C@@H]1O ZINC000451415659 383610006 /nfs/dbraw/zinc/61/00/06/383610006.db2.gz FOTFAMJDKMVJTE-XKQJLSEDSA-N 0 1 288.366 2.823 20 30 CFEDMN Cn1c2ccccc2nc1C(C#N)C(=O)c1ccc(C#N)o1 ZINC000429671259 383557627 /nfs/dbraw/zinc/55/76/27/383557627.db2.gz JVXARKVZLNIHSX-LLVKDONJSA-N 0 1 290.282 2.528 20 30 CFEDMN Cn1c2ccccc2nc1[C@H](C#N)C(=O)c1ccc(C#N)o1 ZINC000429671259 383557628 /nfs/dbraw/zinc/55/76/28/383557628.db2.gz JVXARKVZLNIHSX-LLVKDONJSA-N 0 1 290.282 2.528 20 30 CFEDMN CCO[C@@H]1CCN(Cc2cccc(C#N)c2F)C[C@@H]1C ZINC000451547102 383641783 /nfs/dbraw/zinc/64/17/83/383641783.db2.gz TWCUACUOAJXDFW-SWLSCSKDSA-N 0 1 276.355 2.944 20 30 CFEDMN C=CC[C@@H](Cc1ccccc1)NC(=O)[C@H](C)Cc1cnc[nH]1 ZINC000570695924 383627418 /nfs/dbraw/zinc/62/74/18/383627418.db2.gz GHJRFZAFCMPTQM-ZBFHGGJFSA-N 0 1 297.402 2.892 20 30 CFEDMN CC[C@@H]1CO[C@H](C)CN1Cc1ccc(OCC#N)cc1 ZINC000264584703 383758569 /nfs/dbraw/zinc/75/85/69/383758569.db2.gz WZGMALWYDAGQRV-UKRRQHHQSA-N 0 1 274.364 2.588 20 30 CFEDMN C[C@@H]1CN(CCCNc2ccc(F)cc2C#N)C[C@@H](C)O1 ZINC000264692173 383772357 /nfs/dbraw/zinc/77/23/57/383772357.db2.gz ZNJLEJPKZWCPAX-CHWSQXEVSA-N 0 1 291.370 2.609 20 30 CFEDMN C=CC[N@@H+](Cc1cccs1)[C@H](C(=O)[O-])C1CC1 ZINC000571054155 383662171 /nfs/dbraw/zinc/66/21/71/383662171.db2.gz QVMGSJLPWJFHEL-LBPRGKRZSA-N 0 1 251.351 2.599 20 30 CFEDMN C=C(C)CN(CC)C(=O)Nc1cc(CN(C)C)ccn1 ZINC000640560884 383828290 /nfs/dbraw/zinc/82/82/90/383828290.db2.gz SZFVOXHKYHPJHK-UHFFFAOYSA-N 0 1 276.384 2.573 20 30 CFEDMN Cc1cc(C2CCN(c3cc(C)ncc3C#N)CC2)[nH]n1 ZINC000572596040 383796444 /nfs/dbraw/zinc/79/64/44/383796444.db2.gz DHSMLOSKRDZQHC-UHFFFAOYSA-N 0 1 281.363 2.677 20 30 CFEDMN COc1ccc([C@@H](CO)N(C)Cc2cccc(C#N)c2)cc1 ZINC000264900068 383798510 /nfs/dbraw/zinc/79/85/10/383798510.db2.gz HSXSTSLHHIPURI-GOSISDBHSA-N 0 1 296.370 2.732 20 30 CFEDMN C=C(C)C(C)(C)C(=O)N1CCN(C)[C@H](C(C)(C)C)C1 ZINC000640612862 383848084 /nfs/dbraw/zinc/84/80/84/383848084.db2.gz PZGLRSISFXCLLM-ZDUSSCGKSA-N 0 1 266.429 2.777 20 30 CFEDMN C=C[C@@](C)(CC)C(=O)N1CCN(C)[C@H](C(C)(C)C)C1 ZINC000640620290 383852931 /nfs/dbraw/zinc/85/29/31/383852931.db2.gz CJVPYBXPYDBFDH-BBRMVZONSA-N 0 1 266.429 2.777 20 30 CFEDMN N#Cc1ccc(CN[C@H](c2ccccc2)[C@H]2CCOC2)nc1 ZINC000573335167 383913686 /nfs/dbraw/zinc/91/36/86/383913686.db2.gz JJBQDRRTWLHDPQ-FUHWJXTLSA-N 0 1 293.370 2.821 20 30 CFEDMN C=CCCCN1Cc2c(OC)ccc(OC)c2[C@H](O)C1 ZINC000265288453 383885384 /nfs/dbraw/zinc/88/53/84/383885384.db2.gz AEFCOLFYKLGGON-CYBMUJFWSA-N 0 1 277.364 2.519 20 30 CFEDMN CC(C)(C)OC(=O)[C@@]1(C)CCN(Cc2ccc(C#N)o2)C1 ZINC000453627882 383888658 /nfs/dbraw/zinc/88/86/58/383888658.db2.gz VVFNSGAIHMWRHC-INIZCTEOSA-N 0 1 290.363 2.705 20 30 CFEDMN C=C1C[C@H]2CC[C@@H](C1)N2C(=O)c1cc(C(F)F)[nH]n1 ZINC000640709874 383897510 /nfs/dbraw/zinc/89/75/10/383897510.db2.gz LNCKKMPUUAWCQH-DTORHVGOSA-N 0 1 267.279 2.671 20 30 CFEDMN CC(=O)c1ccc(O)c(NC(=O)c2cccc(CC#N)c2)c1 ZINC000436862563 383898318 /nfs/dbraw/zinc/89/83/18/383898318.db2.gz OOXKSFSVIUBVJG-UHFFFAOYSA-N 0 1 294.310 2.913 20 30 CFEDMN C=CCCN(C)CC(=O)Nc1cc(Cl)ccc1OC ZINC000265780147 383997822 /nfs/dbraw/zinc/99/78/22/383997822.db2.gz FVXZTFFRCMEGFP-UHFFFAOYSA-N 0 1 282.771 2.795 20 30 CFEDMN C=C(Cl)CNC(=O)[C@H](c1ccccc1)N(C)CC ZINC000265517364 383937720 /nfs/dbraw/zinc/93/77/20/383937720.db2.gz LPTOLRHUBXBKOE-ZDUSSCGKSA-N 0 1 266.772 2.548 20 30 CFEDMN N#Cc1ccc(N[C@H]2CCCC[C@@H]2N2CCOCC2)cc1 ZINC000532422056 384027310 /nfs/dbraw/zinc/02/73/10/384027310.db2.gz YFIFHDIEGFZKJQ-IRXDYDNUSA-N 0 1 285.391 2.614 20 30 CFEDMN Cc1cc(C#N)ccc1C(=O)NC[C@@H](C)[N@H+]1CCCC[C@@H]1C ZINC000438905617 384030072 /nfs/dbraw/zinc/03/00/72/384030072.db2.gz ZWKSTBLBAOEYMM-LSDHHAIUSA-N 0 1 299.418 2.859 20 30 CFEDMN COc1cc(CN[C@@H](C)c2ccncc2OC)ccc1C#N ZINC000440636250 384118357 /nfs/dbraw/zinc/11/83/57/384118357.db2.gz KHMLMXNHVIWLTH-LBPRGKRZSA-N 0 1 297.358 2.821 20 30 CFEDMN CC(C)CN(C(=O)CN1CC[C@@H](C)C1)c1ccc(C#N)cc1 ZINC000574782128 384146986 /nfs/dbraw/zinc/14/69/86/384146986.db2.gz RGKULBSWJLUSFN-OAHLLOKOSA-N 0 1 299.418 2.889 20 30 CFEDMN C[C@H](NCC1(C)OCCCO1)c1ccc(C#N)c(F)c1 ZINC000277393234 384287940 /nfs/dbraw/zinc/28/79/40/384287940.db2.gz YKJSDOJIEBSGJF-NSHDSACASA-N 0 1 278.327 2.501 20 30 CFEDMN C#CCCCCC(=O)N[C@@H](C)c1n[nH]c([C@@H](C)CC)n1 ZINC000277680718 384373485 /nfs/dbraw/zinc/37/34/85/384373485.db2.gz CBPRSBNXPFSILD-RYUDHWBXSA-N 0 1 276.384 2.689 20 30 CFEDMN CCCN(CC)CC(=O)Nc1sc(C)c(C)c1C#N ZINC000267340569 384362884 /nfs/dbraw/zinc/36/28/84/384362884.db2.gz CGGCOQHBEXDRDR-UHFFFAOYSA-N 0 1 279.409 2.907 20 30 CFEDMN C#CCN1CCC(c2nc(-c3ccc(C)cc3F)no2)CC1 ZINC000277857876 384425891 /nfs/dbraw/zinc/42/58/91/384425891.db2.gz JQDMEVLBGDJDJE-UHFFFAOYSA-N 0 1 299.349 2.997 20 30 CFEDMN C#CCN1CCC(c2nc(-c3ccncc3CC)no2)CC1 ZINC000277762441 384398408 /nfs/dbraw/zinc/39/84/08/384398408.db2.gz DBNNJOVLJBWBAW-UHFFFAOYSA-N 0 1 296.374 2.507 20 30 CFEDMN C=CCCCC(=O)N[C@@H](C)c1n[nH]c([C@H](C)CC)n1 ZINC000277762099 384398772 /nfs/dbraw/zinc/39/87/72/384398772.db2.gz IIGXBYHGTWGTKV-MNOVXSKESA-N 0 1 264.373 2.852 20 30 CFEDMN C[C@@H](CNc1ccc(C#N)nc1)N1CCc2sccc2C1 ZINC000267420500 384388118 /nfs/dbraw/zinc/38/81/18/384388118.db2.gz UKRFMCPHBAEXCP-LBPRGKRZSA-N 0 1 298.415 2.873 20 30 CFEDMN C=C(C)CN(CC)C(=O)c1sccc1CN(C)C ZINC000268014034 384511291 /nfs/dbraw/zinc/51/12/91/384511291.db2.gz HKOGATLFBFMFCQ-UHFFFAOYSA-N 0 1 266.410 2.848 20 30 CFEDMN C[C@]1(NCc2ccccc2C#N)CCO[C@H]1C1CC1 ZINC000374632738 220324537 /nfs/dbraw/zinc/32/45/37/220324537.db2.gz VFHKTUWIKJNYPJ-HOTGVXAUSA-N 0 1 256.349 2.605 20 30 CFEDMN CO[C@H](C)CN(C)CC#Cc1ccccc1Cl ZINC000353206559 533080647 /nfs/dbraw/zinc/08/06/47/533080647.db2.gz WQAZWNKZNAXCTG-GFCCVEGCSA-N 0 1 251.757 2.658 20 30 CFEDMN Cc1c(CN(Cc2ccc(C#N)cc2)C2CC2)cnn1C ZINC000268928774 384695459 /nfs/dbraw/zinc/69/54/59/384695459.db2.gz QLGAJWZTMKOUGS-UHFFFAOYSA-N 0 1 280.375 2.765 20 30 CFEDMN C=CCC[C@@H](NC(=O)[C@@H]1CCCN1C)c1ccccc1 ZINC000269405720 384755273 /nfs/dbraw/zinc/75/52/73/384755273.db2.gz NFYKRFBDYDQEFD-CVEARBPZSA-N 0 1 272.392 2.904 20 30 CFEDMN CC#CCCCc1nc(-c2ccn3cncc3c2)no1 ZINC000289292870 197286743 /nfs/dbraw/zinc/28/67/43/197286743.db2.gz VFUPRGWLLVJUCE-UHFFFAOYSA-N 0 1 266.304 2.730 20 30 CFEDMN C=C[C@@](C)(CCOC)c1nc(-c2ccn3cncc3c2)no1 ZINC000289257207 197277185 /nfs/dbraw/zinc/27/71/85/197277185.db2.gz QMXOWRZJHOOWHD-INIZCTEOSA-N 0 1 298.346 2.865 20 30 CFEDMN C#CCCOc1ccc(CN[C@H](C)c2cn[nH]c2)cc1 ZINC000270259795 385033253 /nfs/dbraw/zinc/03/32/53/385033253.db2.gz VWPPTLUKSSZNFX-CYBMUJFWSA-N 0 1 269.348 2.663 20 30 CFEDMN C#CC[C@@H](NC(=O)[C@H]1CCCc2[nH]ncc21)c1ccccc1 ZINC000270495177 385122449 /nfs/dbraw/zinc/12/24/49/385122449.db2.gz PQEYJSGHZYLHEU-GOEBONIOSA-N 0 1 293.370 2.710 20 30 CFEDMN COCC#CCN1CC[C@@H](c2cccc(Cl)c2)C1 ZINC000645021672 385164720 /nfs/dbraw/zinc/16/47/20/385164720.db2.gz ASDPFVPURBTWGW-CQSZACIVSA-N 0 1 263.768 2.779 20 30 CFEDMN C=CCN1CC[C@@H](N2CCC[C@@H]2c2ccc(F)cc2)C1=O ZINC000282101646 385212151 /nfs/dbraw/zinc/21/21/51/385212151.db2.gz WDHULNAEOFGIBI-HZPDHXFCSA-N 0 1 288.366 2.750 20 30 CFEDMN C=CCN1CC[C@@H](N[C@H](C)c2cccc(OCC)c2)C1=O ZINC000281180486 195137060 /nfs/dbraw/zinc/13/70/60/195137060.db2.gz LTHSLYZKCJUCLO-CZUORRHYSA-N 0 1 288.391 2.523 20 30 CFEDMN C=C1CCN(Cc2cn(C)nc2-c2ccncc2)CC1 ZINC000271156690 385354340 /nfs/dbraw/zinc/35/43/40/385354340.db2.gz HYHUKSBUJNFCHC-UHFFFAOYSA-N 0 1 268.364 2.634 20 30 CFEDMN Cc1cc([C@H]2CCCN(C(=O)c3cccc(C#N)c3)C2)n[nH]1 ZINC000282851182 385398991 /nfs/dbraw/zinc/39/89/91/385398991.db2.gz QFJGMNLHJIKAKH-HNNXBMFYSA-N 0 1 294.358 2.610 20 30 CFEDMN CCOC(=O)[C@H](C)[C@@H](C)NCc1ccc(Cl)cc1C#N ZINC000283213737 385446562 /nfs/dbraw/zinc/44/65/62/385446562.db2.gz SEOZDLBAJIVHTC-GHMZBOCLSA-N 0 1 294.782 2.889 20 30 CFEDMN C=CCCNCc1snc(OC)c1Br ZINC000639306932 385434303 /nfs/dbraw/zinc/43/43/03/385434303.db2.gz LHOYJQQVFBIHGW-UHFFFAOYSA-N 0 1 277.187 2.580 20 30 CFEDMN COc1ccc(CN(Cc2ccc(C#N)cc2)C(C)C)nn1 ZINC000283585070 385478445 /nfs/dbraw/zinc/47/84/45/385478445.db2.gz PJNFMNQWDWERMY-UHFFFAOYSA-N 0 1 296.374 2.767 20 30 CFEDMN C=CCN(CCc1ccco1)Cc1cc(C(=O)OC)co1 ZINC000272234545 385481836 /nfs/dbraw/zinc/48/18/36/385481836.db2.gz FIVQGCJGMJHMIC-UHFFFAOYSA-N 0 1 289.331 2.890 20 30 CFEDMN C=CCN(CCc1ccco1)C(=O)[C@H]1CCCc2[nH]ncc21 ZINC000272418791 385532229 /nfs/dbraw/zinc/53/22/29/385532229.db2.gz GJJFRQJYNJOACK-AWEZNQCLSA-N 0 1 299.374 2.680 20 30 CFEDMN C=CCCN1CCc2c(ncn2-c2ccccc2)C1 ZINC000272472591 385545669 /nfs/dbraw/zinc/54/56/69/385545669.db2.gz FTJUKTDGPHRQPZ-UHFFFAOYSA-N 0 1 253.349 2.807 20 30 CFEDMN C=CCC[C@H](N[C@H]1CC(=O)N(C(C)C)C1)c1ccco1 ZINC000286238105 385576196 /nfs/dbraw/zinc/57/61/96/385576196.db2.gz TYJCSMDCTOCSGX-KBPBESRZSA-N 0 1 276.380 2.886 20 30 CFEDMN C=C(C)[C@@H](CC(=O)Nc1cc(C(C)=O)ccc1O)OCC ZINC000272673435 385585956 /nfs/dbraw/zinc/58/59/56/385585956.db2.gz LCVGCIATDPZHIG-OAHLLOKOSA-N 0 1 291.347 2.905 20 30 CFEDMN C=C(C)CCN1CCN(C(=O)c2cc(C)oc2C)CC1 ZINC000274732834 385859319 /nfs/dbraw/zinc/85/93/19/385859319.db2.gz CKSKCGCNDXJRGP-UHFFFAOYSA-N 0 1 276.380 2.620 20 30 CFEDMN C=CCCO[C@H](C)C(=O)Nc1cc2cn[nH]c2cc1C ZINC000276760786 386036520 /nfs/dbraw/zinc/03/65/20/386036520.db2.gz NPHVNMNTKPNIOZ-LLVKDONJSA-N 0 1 273.336 2.791 20 30 CFEDMN C=CCC[C@H](O)CN1CCC(C)=C(Br)C1 ZINC000281257314 195170015 /nfs/dbraw/zinc/17/00/15/195170015.db2.gz VFDYKEXUJZSCEG-NSHDSACASA-N 0 1 274.202 2.688 20 30 CFEDMN C=CC[C@@H](CC)NC(=O)N[C@H](C)c1n[nH]c(C(C)C)n1 ZINC000281297641 195187458 /nfs/dbraw/zinc/18/74/58/195187458.db2.gz JAVNNNAHMUZAIO-GHMZBOCLSA-N 0 1 279.388 2.643 20 30 CFEDMN O[C@@H]1CCCN(CC#Cc2ccc(C(F)(F)F)cc2)C1 ZINC000177228098 285314341 /nfs/dbraw/zinc/31/43/41/285314341.db2.gz ZUXFIZBZMVKLEY-CQSZACIVSA-N 0 1 283.293 2.514 20 30 CFEDMN Cc1n[nH]c(C(F)F)c1NC(=O)c1cccc(CC#N)c1 ZINC000353561513 533669916 /nfs/dbraw/zinc/66/99/16/533669916.db2.gz LBLJDIVJMNEKQQ-UHFFFAOYSA-N 0 1 290.273 2.974 20 30 CFEDMN N#Cc1c(F)cccc1N1CCN(CCCCCF)CC1 ZINC000341833994 130066449 /nfs/dbraw/zinc/06/64/49/130066449.db2.gz IXEVYRWMFMISTH-UHFFFAOYSA-N 0 1 293.361 2.959 20 30 CFEDMN N#Cc1ccc(CN[C@H]2CC(=O)N(c3ccccc3)C2)s1 ZINC000238111923 131077119 /nfs/dbraw/zinc/07/71/19/131077119.db2.gz XSRLGIAEBRIVFL-LBPRGKRZSA-N 0 1 297.383 2.515 20 30 CFEDMN C[C@H]1CN(CCCNc2ccc(C#N)cc2F)C[C@H](C)O1 ZINC000263664972 131304830 /nfs/dbraw/zinc/30/48/30/131304830.db2.gz FINXJGYRHOWAEG-STQMWFEESA-N 0 1 291.370 2.609 20 30 CFEDMN COCC#CCN(C)Cc1ccc(Br)cc1C ZINC000683525619 542688190 /nfs/dbraw/zinc/68/81/90/542688190.db2.gz XWODQAIGPOIBQZ-UHFFFAOYSA-N 0 1 296.208 2.839 20 30 CFEDMN C=CCC[C@H](NC(=O)[C@@H]1CCCN1C)c1ccccc1 ZINC000269405721 132166426 /nfs/dbraw/zinc/16/64/26/132166426.db2.gz NFYKRFBDYDQEFD-HOTGVXAUSA-N 0 1 272.392 2.904 20 30 CFEDMN C[C@H](C[N@H+]1CCC[C@H](C)C1)NCc1ccc(C#N)cc1F ZINC000269445022 132172122 /nfs/dbraw/zinc/17/21/22/132172122.db2.gz UPJGEYFCWKWMBQ-UONOGXRCSA-N 0 1 289.398 2.907 20 30 CFEDMN C#CCN(CC#N)Cc1cnc(-c2ccc(Cl)cc2)[nH]1 ZINC000374067249 393480970 /nfs/dbraw/zinc/48/09/70/393480970.db2.gz GKHZWMXNGNBBJT-UHFFFAOYSA-N 0 1 284.750 2.689 20 30 CFEDMN C=CCNC(=O)[C@@H](C)N1CCC[C@H]1c1ccsc1 ZINC000298726563 393456493 /nfs/dbraw/zinc/45/64/93/393456493.db2.gz FSRJLWBQRFMFJS-YPMHNXCESA-N 0 1 264.394 2.576 20 30 CFEDMN C=CCN1CC[C@H](N[C@@H](c2ccccn2)C2CCCC2)C1=O ZINC000373857077 393474451 /nfs/dbraw/zinc/47/44/51/393474451.db2.gz WPAZLZDAFFXNHE-DLBZAZTESA-N 0 1 299.418 2.689 20 30 CFEDMN CCCCCCCC(=O)N1CCC[C@@H](c2nc[nH]n2)C1 ZINC000374044206 393479187 /nfs/dbraw/zinc/47/91/87/393479187.db2.gz QSUKGEKSJZIALS-CYBMUJFWSA-N 0 1 278.400 2.871 20 30 CFEDMN CCC[N@H+]1CCC[C@@H]1C(=O)Nc1nnc(C2CCC2)[n-]1 ZINC000329526681 393541894 /nfs/dbraw/zinc/54/18/94/393541894.db2.gz RPOWCIMQQJYHRZ-LLVKDONJSA-N 0 1 277.372 2.535 20 30 CFEDMN CCCCCCCS(=O)(=O)N[C@H]1CCCc2cn[nH]c21 ZINC000374205932 393487398 /nfs/dbraw/zinc/48/73/98/393487398.db2.gz RNABHVDADMAPLJ-ZDUSSCGKSA-N 0 1 299.440 2.677 20 30 CFEDMN CN(CCC(=O)Nc1cccc(C#N)c1)Cc1ccco1 ZINC000030276770 393505273 /nfs/dbraw/zinc/50/52/73/393505273.db2.gz AHPVWFINPJMCIR-UHFFFAOYSA-N 0 1 283.331 2.612 20 30 CFEDMN Fc1ccc(C#CCN2CCCC[C@@H]2c2nnc[nH]2)cc1 ZINC000182734523 393512852 /nfs/dbraw/zinc/51/28/52/393512852.db2.gz UKKDFVAGVYYVCM-OAHLLOKOSA-N 0 1 284.338 2.523 20 30 CFEDMN C[C@H]1CCSCCN1CC(=O)NC1(C#N)CCCCC1 ZINC000330263585 393552636 /nfs/dbraw/zinc/55/26/36/393552636.db2.gz WSMVYXVUNBRTGD-ZDUSSCGKSA-N 0 1 295.452 2.997 20 30 CFEDMN O=C(N[C@@H]1CCc2nc[nH]c2C1)[C@@H]1CCCc2cccnc21 ZINC000329661002 393547644 /nfs/dbraw/zinc/54/76/44/393547644.db2.gz OIGJIUINIBICGJ-CHWSQXEVSA-N 0 1 296.374 2.739 20 30 CFEDMN COc1ccc(OC)c(NC(=O)c2ccc(C#N)c(O)c2)c1 ZINC000188215694 393562445 /nfs/dbraw/zinc/56/24/45/393562445.db2.gz JTLAUHQFEGGREP-UHFFFAOYSA-N 0 1 298.298 2.533 20 30 CFEDMN CCCN(Cc1ccc(C#N)cc1)[C@H]1CCN(C2CC2)C1=O ZINC000411162087 393677229 /nfs/dbraw/zinc/67/72/29/393677229.db2.gz CLOBPKPOKGUEMR-KRWDZBQOSA-N 0 1 297.402 2.534 20 30 CFEDMN CCCN(Cc1ccc(C#N)cc1)[C@@H](C)c1n[nH]c(C)n1 ZINC000411164590 393677349 /nfs/dbraw/zinc/67/73/49/393677349.db2.gz IEMDESLMJAPGIH-LBPRGKRZSA-N 0 1 283.379 2.958 20 30 CFEDMN Fc1ccc(C#CCN2CCC[C@]3(CCOC3)C2)cc1 ZINC000334689135 393615884 /nfs/dbraw/zinc/61/58/84/393615884.db2.gz LGQVTKIGGDEHDH-KRWDZBQOSA-N 0 1 273.351 2.680 20 30 CFEDMN CC(C)N1CCN(c2cccc(Cl)c2C#N)CC1 ZINC000055476703 393621574 /nfs/dbraw/zinc/62/15/74/393621574.db2.gz AMOPHMFVYMOOEK-UHFFFAOYSA-N 0 1 263.772 2.742 20 30 CFEDMN C[C@@H](C#N)C(=O)Nc1nc2ccc(C(F)(F)F)cc2[nH]1 ZINC000334799480 393622802 /nfs/dbraw/zinc/62/28/02/393622802.db2.gz PDDZLLWCHYCWFI-LURJTMIESA-N 0 1 282.225 2.680 20 30 CFEDMN C[C@@H](CCC#N)N[C@@H](CO)c1cccc(Cl)c1F ZINC000411680657 393738529 /nfs/dbraw/zinc/73/85/29/393738529.db2.gz YATWDJYWENLSNO-CABZTGNLSA-N 0 1 270.735 2.794 20 30 CFEDMN COC(=O)c1cccc2c1CCN([C@H](C)CCC#N)C2 ZINC000411821378 393751797 /nfs/dbraw/zinc/75/17/97/393751797.db2.gz TZNRIPFAACNILR-GFCCVEGCSA-N 0 1 272.348 2.524 20 30 CFEDMN C[C@H](CCC#N)N1CC[C@@]2(C1)CC(=O)c1ccccc1O2 ZINC000411976622 393758457 /nfs/dbraw/zinc/75/84/57/393758457.db2.gz DPMXUONZPBDUQV-DYVFJYSZSA-N 0 1 284.359 2.789 20 30 CFEDMN CN(Cc1ccc(C#N)cc1)Cc1cccc(O)c1 ZINC000080923047 393729098 /nfs/dbraw/zinc/72/90/98/393729098.db2.gz PSHKWPHOYQEBMJ-UHFFFAOYSA-N 0 1 252.317 2.896 20 30 CFEDMN C[C@@H](Cc1ccc(Br)cc1)NCCC#N ZINC000225684849 393768932 /nfs/dbraw/zinc/76/89/32/393768932.db2.gz ILZZLJOJFMUMFL-JTQLQIEISA-N 0 1 267.170 2.883 20 30 CFEDMN C[C@H]1CN(c2ccc(C(F)(F)F)c(C#N)n2)C[C@H](C)N1C ZINC000338786711 393798838 /nfs/dbraw/zinc/79/88/38/393798838.db2.gz PGSUPAMOBOARSO-UWVGGRQHSA-N 0 1 298.312 2.501 20 30 CFEDMN CCO[C@H]1C[C@@H](N(C)Cc2ccc(C#N)o2)C1(C)C ZINC000093605220 393802216 /nfs/dbraw/zinc/80/22/16/393802216.db2.gz ILDMTDZFOZKQBI-KGLIPLIRSA-N 0 1 262.353 2.787 20 30 CFEDMN CN(CCC#N)c1ccc(CN2CCOC3(CCC3)C2)cc1 ZINC000093640415 393803426 /nfs/dbraw/zinc/80/34/26/393803426.db2.gz NNOAKANNMQYLOI-UHFFFAOYSA-N 0 1 299.418 2.791 20 30 CFEDMN Cn1cc(-c2ccc(CNCC(C)(C)C#N)s2)cn1 ZINC000338936433 393805906 /nfs/dbraw/zinc/80/59/06/393805906.db2.gz NCUJSSVNRDTDSY-UHFFFAOYSA-N 0 1 274.393 2.788 20 30 CFEDMN C=CCC[C@H](C(=O)NCc1cnc[nH]1)c1ccccc1 ZINC000427454953 393893078 /nfs/dbraw/zinc/89/30/78/393893078.db2.gz GFNZRGFRUDIWPG-HNNXBMFYSA-N 0 1 269.348 2.776 20 30 CFEDMN C=C(C)CN(CC)CC(=O)N([C@H](C)C1CC1)C1CC1 ZINC000114712579 393901640 /nfs/dbraw/zinc/90/16/40/393901640.db2.gz XENNITKUSBKILJ-CYBMUJFWSA-N 0 1 264.413 2.674 20 30 CFEDMN CCN(Cc1cn(-c2ccncc2)nc1C)C[C@@H](C)C#N ZINC000346171835 393923023 /nfs/dbraw/zinc/92/30/23/393923023.db2.gz BLAAKNYRFDJIDV-ZDUSSCGKSA-N 0 1 283.379 2.557 20 30 CFEDMN CCCN(CC)CC(=O)N(CCC#N)c1ccccc1 ZINC000346291557 393925372 /nfs/dbraw/zinc/92/53/72/393925372.db2.gz HUDYTTOKCQCVJX-UHFFFAOYSA-N 0 1 273.380 2.665 20 30 CFEDMN N#Cc1c(F)cccc1CN[C@@H]1CCC[C@H]1OC(F)F ZINC000428956460 393926848 /nfs/dbraw/zinc/92/68/48/393926848.db2.gz YBYWVJNEROGRKU-CHWSQXEVSA-N 0 1 284.281 2.947 20 30 CFEDMN C[C@]1(c2ccccc2)CN(CCCSCC#N)CCO1 ZINC000121192389 393950867 /nfs/dbraw/zinc/95/08/67/393950867.db2.gz DBRJZYVMNAUKIC-MRXNPFEDSA-N 0 1 290.432 2.881 20 30 CFEDMN C=CCCCN(C)CC(=O)N1c2ccccc2C[C@@H]1C ZINC000121131502 393949055 /nfs/dbraw/zinc/94/90/55/393949055.db2.gz UMAMZKJIADGDLD-AWEZNQCLSA-N 0 1 272.392 2.862 20 30 CFEDMN C=CCCCN(C)CC(=O)N1c2ccccc2C[C@H]1C ZINC000121131336 393949493 /nfs/dbraw/zinc/94/94/93/393949493.db2.gz UMAMZKJIADGDLD-CQSZACIVSA-N 0 1 272.392 2.862 20 30 CFEDMN N#C[C@H](NC(=O)c1n[nH]c2ccccc21)c1ccc(F)cc1 ZINC000348845259 393959655 /nfs/dbraw/zinc/95/96/55/393959655.db2.gz YBYOENWUOJDABW-AWEZNQCLSA-N 0 1 294.289 2.697 20 30 CFEDMN CC(C)CCN(CCC#N)C(=O)c1cc(C2CC2)[nH]n1 ZINC000349387372 393968767 /nfs/dbraw/zinc/96/87/67/393968767.db2.gz RAANMIGEXHKWIV-UHFFFAOYSA-N 0 1 274.368 2.689 20 30 CFEDMN N#CCCCCSc1nc(-c2ccccn2)n[nH]1 ZINC000122712245 393971889 /nfs/dbraw/zinc/97/18/89/393971889.db2.gz GVBJZZQPRRHQNL-UHFFFAOYSA-N 0 1 259.338 2.653 20 30 CFEDMN CC[N@@H+](C)Cc1cn(CCC#N)nc1-c1ccccc1 ZINC000126256018 394023918 /nfs/dbraw/zinc/02/39/18/394023918.db2.gz QQKWESQBYGREAM-UHFFFAOYSA-N 0 1 268.364 2.915 20 30 CFEDMN CC(C)[C@@H]1CN(c2cc(Cl)ccc2C#N)CC[N@H+]1C ZINC000487099888 393983342 /nfs/dbraw/zinc/98/33/42/393983342.db2.gz NBVMSDSFQGJRQC-HNNXBMFYSA-N 0 1 277.799 2.988 20 30 CFEDMN C=C(C)CN(CC(=O)N1CCCCCC1)C(C)C ZINC000353219096 394026051 /nfs/dbraw/zinc/02/60/51/394026051.db2.gz LXVGAONEDMQHLX-UHFFFAOYSA-N 0 1 252.402 2.676 20 30 CFEDMN CC[C@@H]1CN(Cc2ccc(N(C)CCC#N)cc2)CCO1 ZINC000125581142 394010280 /nfs/dbraw/zinc/01/02/80/394010280.db2.gz YNWBUWREGIIDEB-QGZVFWFLSA-N 0 1 287.407 2.647 20 30 CFEDMN C#C[C@@H](CC)NCc1cccc(OC)c1OC(C)C ZINC000491672080 394055844 /nfs/dbraw/zinc/05/58/44/394055844.db2.gz GTESIHRKZQXTJM-AWEZNQCLSA-N 0 1 261.365 2.984 20 30 CFEDMN C=CCN1CC[C@H](N(Cc2ccc(C#N)cc2)C(C)C)C1=O ZINC000282101618 394121799 /nfs/dbraw/zinc/12/17/99/394121799.db2.gz WDDFWOKNFQHPOA-KRWDZBQOSA-N 0 1 297.402 2.556 20 30 CFEDMN C=CCN(CCC#N)C(=O)[C@H](CC)N(C)Cc1ccccc1 ZINC000359379846 394131732 /nfs/dbraw/zinc/13/17/32/394131732.db2.gz LPYLCIFCBCHGDM-KRWDZBQOSA-N 0 1 299.418 2.825 20 30 CFEDMN CC[C@@](C)(C#N)C(=O)N1CCC[N@@H+](Cc2ccccc2)CC1 ZINC000285426169 394143131 /nfs/dbraw/zinc/14/31/31/394143131.db2.gz LICICQWLTZMZDQ-SFHVURJKSA-N 0 1 299.418 2.661 20 30 CFEDMN CC[C@@](C)(C#N)C(=O)N1CCCN(Cc2ccccc2)CC1 ZINC000285426169 394143135 /nfs/dbraw/zinc/14/31/35/394143135.db2.gz LICICQWLTZMZDQ-SFHVURJKSA-N 0 1 299.418 2.661 20 30 CFEDMN CC(C)(CCC#N)CNC(=O)c1n[nH]nc1-c1ccccc1 ZINC000360411143 394151404 /nfs/dbraw/zinc/15/14/04/394151404.db2.gz NNUABEPPAGUYPX-UHFFFAOYSA-N 0 1 297.362 2.531 20 30 CFEDMN C=CCCOCCNCc1cc(C(=O)OC)ccc1Cl ZINC000361009783 394162819 /nfs/dbraw/zinc/16/28/19/394162819.db2.gz ULPIMURPXLXAAM-UHFFFAOYSA-N 0 1 297.782 2.809 20 30 CFEDMN Cc1ccc(C#N)cc1NC(=O)c1cc(F)ccc1O ZINC000132841332 394164650 /nfs/dbraw/zinc/16/46/50/394164650.db2.gz WPOSVIUUYXXDNW-UHFFFAOYSA-N 0 1 270.263 2.964 20 30 CFEDMN C[C@H]1CN(c2ccc(Cl)cc2C#N)C[C@H](C)N1C ZINC000135267117 394214858 /nfs/dbraw/zinc/21/48/58/394214858.db2.gz ATXDNHSYUJAYBF-QWRGUYRKSA-N 0 1 263.772 2.740 20 30 CFEDMN Cc1c(Cl)c(CNCCc2cccc(C#N)c2)nn1C ZINC000421390781 394217304 /nfs/dbraw/zinc/21/73/04/394217304.db2.gz MQYOYWNRWZLAKG-UHFFFAOYSA-N 0 1 288.782 2.586 20 30 CFEDMN C=CCC1(C(=O)N2C[C@H](C)N(CC)C[C@@H]2C)CCC1 ZINC000362492950 394186489 /nfs/dbraw/zinc/18/64/89/394186489.db2.gz QTAUNWDJLAQDGK-KBPBESRZSA-N 0 1 264.413 2.674 20 30 CFEDMN N#Cc1ccc(CN2CCC[C@H](N3CCCCC3=O)C2)cc1 ZINC000370897031 394295873 /nfs/dbraw/zinc/29/58/73/394295873.db2.gz FBETYTCUWCTBCS-KRWDZBQOSA-N 0 1 297.402 2.535 20 30 CFEDMN C#CCOc1ccccc1CN(C)[C@@H](CO)c1ccccc1 ZINC000294989559 394296043 /nfs/dbraw/zinc/29/60/43/394296043.db2.gz HIHWPLLFUVLWGM-SFHVURJKSA-N 0 1 295.382 2.864 20 30 CFEDMN C=CC[N@H+](C)Cc1cc(Cl)cc([N+](=O)[O-])c1[O-] ZINC000154770159 394301338 /nfs/dbraw/zinc/30/13/38/394301338.db2.gz KJRKYNOPDVIIFU-UHFFFAOYSA-N 0 1 256.689 2.572 20 30 CFEDMN CC(C)CCN(CCC#N)C[C@H](O)Cc1ccccc1 ZINC000173545356 394375985 /nfs/dbraw/zinc/37/59/85/394375985.db2.gz FPAPWCNAVIOTQY-QGZVFWFLSA-N 0 1 274.408 2.852 20 30 CFEDMN Cc1cc(NC(=O)CCN(CCC#N)CCC(C)C)no1 ZINC000173540963 394376077 /nfs/dbraw/zinc/37/60/77/394376077.db2.gz ATVFSQJKROVSLZ-UHFFFAOYSA-N 0 1 292.383 2.573 20 30 CFEDMN COCCN(Cc1ccc(C#N)cc1)Cc1ccnc(C)c1 ZINC000527534938 394388692 /nfs/dbraw/zinc/38/86/92/394388692.db2.gz SLGKFVDRVOPZPQ-UHFFFAOYSA-N 0 1 295.386 2.910 20 30 CFEDMN COCc1ccc(NC(=O)c2cn[nH]c2C2CC2)cc1C#N ZINC000529815805 394425343 /nfs/dbraw/zinc/42/53/43/394425343.db2.gz HGYUVZOZUVGKAH-UHFFFAOYSA-N 0 1 296.330 2.557 20 30 CFEDMN N#CC(C(=O)c1cccnc1)c1nc(C2CC2)cs1 ZINC000647370895 395318130 /nfs/dbraw/zinc/31/81/30/395318130.db2.gz FJYXMLHOZPSEHL-LLVKDONJSA-N 0 1 269.329 2.906 20 30 CFEDMN N#C[C@H](C(=O)c1cccnc1)c1nc(C2CC2)cs1 ZINC000647370895 395318133 /nfs/dbraw/zinc/31/81/33/395318133.db2.gz FJYXMLHOZPSEHL-LLVKDONJSA-N 0 1 269.329 2.906 20 30 CFEDMN Cc1cnn(C)c1C(=O)[C@H](C#N)c1nc(C2CC2)cs1 ZINC000647380278 395320307 /nfs/dbraw/zinc/32/03/07/395320307.db2.gz ZIWCHXCHQPCJKE-JTQLQIEISA-N 0 1 286.360 2.553 20 30 CFEDMN Cc1cnn(C)c1C(=O)C(C#N)c1nc(C2CC2)cs1 ZINC000647380278 395320311 /nfs/dbraw/zinc/32/03/11/395320311.db2.gz ZIWCHXCHQPCJKE-JTQLQIEISA-N 0 1 286.360 2.553 20 30 CFEDMN N#CC(C(=O)c1cnn2c1CCC2)c1nc(C2CC2)cs1 ZINC000647380030 395320882 /nfs/dbraw/zinc/32/08/82/395320882.db2.gz DQNRMIYRXVDJSF-SNVBAGLBSA-N 0 1 298.371 2.653 20 30 CFEDMN C=CCOc1cccc(C[N@@H+]2CC[C@@H](C)[C@@H](C(=O)[O-])C2)c1 ZINC000647460670 395341940 /nfs/dbraw/zinc/34/19/40/395341940.db2.gz HJRAQMPAOKTPDS-CJNGLKHVSA-N 0 1 289.375 2.794 20 30 CFEDMN C=C(C)[C@H](CO)Sc1nc(C=Cc2ccc(C)o2)n[nH]1 ZINC000649456062 395500995 /nfs/dbraw/zinc/50/09/95/395500995.db2.gz OZDOBWDCBMONDZ-DGMVEKRQSA-N 0 1 291.376 2.906 20 30 CFEDMN C=C(C)CN(CC)C(=O)[C@@H](C)N1CCC[C@@H](OC(C)C)C1 ZINC000649699192 395554469 /nfs/dbraw/zinc/55/44/69/395554469.db2.gz KTCMGOCPWUISEU-HZPDHXFCSA-N 0 1 296.455 2.689 20 30 CFEDMN C=CCC[NH2+]Cc1cccc([O-])c1Br ZINC000315377901 413098494 /nfs/dbraw/zinc/09/84/94/413098494.db2.gz OLSMQMSGYKRNEQ-UHFFFAOYSA-N 0 1 256.143 2.820 20 30 CFEDMN C=CCOc1cccc(C[N@H+]2[C@H](C)CC[C@@H]2C(=O)[O-])c1 ZINC000650793523 413164131 /nfs/dbraw/zinc/16/41/31/413164131.db2.gz BSFOPZWYRNCAIQ-IUODEOHRSA-N 0 1 275.348 2.689 20 30 CFEDMN C=C(C)CN(C)[C@@H](C)C(=O)NC[C@@H](C)c1ccccc1 ZINC000181276899 397609486 /nfs/dbraw/zinc/60/94/86/397609486.db2.gz SEBBDKLVHWSLDM-CABCVRRESA-N 0 1 274.408 2.803 20 30 CFEDMN C=CCN(C1CC1)[C@@H]1CCCN(Cc2ccccc2)C1=O ZINC000370507866 260067587 /nfs/dbraw/zinc/06/75/87/260067587.db2.gz MCLBYYBSWBRSPU-QGZVFWFLSA-N 0 1 284.403 2.828 20 30 CFEDMN C=C(CC)C[N@H+]1CC[C@H](C(=O)[O-])[C@H]2CCCC[C@@H]21 ZINC000656768694 413202462 /nfs/dbraw/zinc/20/24/62/413202462.db2.gz WIHSYYRZVUSGFS-RDBSUJKOSA-N 0 1 251.370 2.918 20 30 CFEDMN C=CCCCC(=O)Nc1nc2cccc(C(=O)OC)c2[nH]1 ZINC000179777226 260068314 /nfs/dbraw/zinc/06/83/14/260068314.db2.gz VOOGVSKFUZUKOC-UHFFFAOYSA-N 0 1 287.319 2.644 20 30 CFEDMN CSc1ncc(-c2cc3[nH]cnc3c(C#N)n2)cc1C ZINC001243137065 782007004 /nfs/dbraw/zinc/00/70/04/782007004.db2.gz WKUNJLQTZPCUEC-UHFFFAOYSA-N 0 1 281.344 2.922 20 30 CFEDMN Cc1nc2ccc(NC(=O)c3ccc(C#N)o3)cc2[nH]1 ZINC000343068299 154102602 /nfs/dbraw/zinc/10/26/02/154102602.db2.gz WXIOXOPQOIVTEE-UHFFFAOYSA-N 0 1 266.260 2.588 20 30 CFEDMN Cc1cc(CN2C[C@@H](C)O[C@@H](C3CC3)C2)ccc1C#N ZINC000348203947 154361560 /nfs/dbraw/zinc/36/15/60/154361560.db2.gz CRACQJHSQJEARD-CXAGYDPISA-N 0 1 270.376 2.866 20 30 CFEDMN COCC1(C)CCN(Cc2ccccc2C#N)CC1 ZINC000358738967 155859927 /nfs/dbraw/zinc/85/99/27/155859927.db2.gz AKXXYVFZNHGWFL-UHFFFAOYSA-N 0 1 258.365 2.807 20 30 CFEDMN COc1cc(C#N)ccc1CN1CCCO[C@H]2CCC[C@@H]21 ZINC000367255968 156304454 /nfs/dbraw/zinc/30/44/54/156304454.db2.gz QXKDRJVECDZCRZ-HOTGVXAUSA-N 0 1 286.375 2.710 20 30 CFEDMN C=CCCn1cc(CN(C)C2CCC(C)CC2)nn1 ZINC000653484242 413324716 /nfs/dbraw/zinc/32/47/16/413324716.db2.gz ZAANOFGTONCYCM-UHFFFAOYSA-N 0 1 262.401 2.865 20 30 CFEDMN CCC[C@]1(CO)CCN(Cc2cn3ccccc3c2C#N)C1 ZINC000367355794 156319585 /nfs/dbraw/zinc/31/95/85/156319585.db2.gz GRAAGJYJBMJSLR-SFHVURJKSA-N 0 1 297.402 2.795 20 30 CFEDMN CC(C)n1ncc2c1[C@H](NCc1cc(C#N)n(C)c1)CCC2 ZINC000373612570 157013630 /nfs/dbraw/zinc/01/36/30/157013630.db2.gz RRGPFKXBYJSPRF-MRXNPFEDSA-N 0 1 297.406 2.841 20 30 CFEDMN N#Cc1ccc2ncc(CN[C@H]3CCCc4occc43)n2c1 ZINC000375292835 157219703 /nfs/dbraw/zinc/21/97/03/157219703.db2.gz NRKANYOJKRBOFW-HNNXBMFYSA-N 0 1 292.342 2.966 20 30 CFEDMN CO[C@H]1[C@H]2[C@H]3C[C@@H]1C[C@H]3CN2Cc1ccc(F)cc1C#N ZINC000375751162 157279434 /nfs/dbraw/zinc/27/94/34/157279434.db2.gz QLORHFBAWNUTOT-LKPRIIMKSA-N 0 1 286.350 2.553 20 30 CFEDMN C=CCCn1cc(CNCCc2cccc(Cl)c2)nn1 ZINC000657291325 413403859 /nfs/dbraw/zinc/40/38/59/413403859.db2.gz XZRGPGHOXKAOJN-UHFFFAOYSA-N 0 1 290.798 2.840 20 30 CFEDMN C=CCCn1cc(CN[C@H]2C[C@@H](OC)C2(CC)CC)nn1 ZINC000653642575 413422290 /nfs/dbraw/zinc/42/22/90/413422290.db2.gz KJKNLGYWELLSNT-LSDHHAIUSA-N 0 1 292.427 2.538 20 30 CFEDMN Cc1ccc2nc(NC(=O)Cc3ccc(C#N)cc3)[nH]c2c1 ZINC000344452072 162046694 /nfs/dbraw/zinc/04/66/94/162046694.db2.gz BELBHHLZSUPVJL-UHFFFAOYSA-N 0 1 290.326 2.924 20 30 CFEDMN Cc1cccc2nc(CNC(=O)c3cscc3C#N)[nH]c21 ZINC000344511245 162058783 /nfs/dbraw/zinc/05/87/83/162058783.db2.gz GVBCVNOVJALRKI-UHFFFAOYSA-N 0 1 296.355 2.735 20 30 CFEDMN N#Cc1ccc(CNc2cnccc2-n2cccn2)cc1 ZINC000345176881 162193978 /nfs/dbraw/zinc/19/39/78/162193978.db2.gz ROJBXHVNRFAWPE-UHFFFAOYSA-N 0 1 275.315 2.751 20 30 CFEDMN CCC1(CC)[C@@H](NCc2nc(C#N)cs2)C[C@@H]1OC ZINC000352811267 163238544 /nfs/dbraw/zinc/23/85/44/163238544.db2.gz RKSACPCYCPQCQD-RYUDHWBXSA-N 0 1 279.409 2.698 20 30 CFEDMN Cc1cnn(-c2ccncc2NCc2nc(C#N)cs2)c1 ZINC000352810079 163239328 /nfs/dbraw/zinc/23/93/28/163239328.db2.gz LFOCHYRULGMOAL-UHFFFAOYSA-N 0 1 296.359 2.516 20 30 CFEDMN CC(C)(C)[C@H]1C[C@@H](NCc2nc(C#N)cs2)CCO1 ZINC000352811289 163239677 /nfs/dbraw/zinc/23/96/77/163239677.db2.gz RPXWFTVABMVDBT-CMPLNLGQSA-N 0 1 279.409 2.698 20 30 CFEDMN N#Cc1ccc(CN2CC[C@@H](COC(F)F)C2)c(F)c1 ZINC000353030059 163291752 /nfs/dbraw/zinc/29/17/52/163291752.db2.gz RPDJXUQXGVKGTI-LLVKDONJSA-N 0 1 284.281 2.758 20 30 CFEDMN COc1cc(CNCc2cc(C#N)cs2)ccc1C#N ZINC000353250998 163327773 /nfs/dbraw/zinc/32/77/73/163327773.db2.gz PPXDCQMNMMUJMG-UHFFFAOYSA-N 0 1 283.356 2.790 20 30 CFEDMN C=CCCn1cc(CNCCc2ccccc2Cl)nn1 ZINC000657335127 413465025 /nfs/dbraw/zinc/46/50/25/413465025.db2.gz LOFQOTCLTAICQK-UHFFFAOYSA-N 0 1 290.798 2.840 20 30 CFEDMN N#Cc1ccc(F)c(CN2CCC[C@@H]2[C@@H]2CCCO2)c1 ZINC000284831562 196140030 /nfs/dbraw/zinc/14/00/30/196140030.db2.gz QKLAGNHEILXBGD-CVEARBPZSA-N 0 1 274.339 2.841 20 30 CFEDMN CC#CCN1CCCN(c2cccc(F)c2F)CC1 ZINC000660664665 413482770 /nfs/dbraw/zinc/48/27/70/413482770.db2.gz ILRZOYZDZYWFIR-UHFFFAOYSA-N 0 1 264.319 2.500 20 30 CFEDMN C=CCN1CCCN(c2cccc(F)c2F)CC1 ZINC000660668144 413483933 /nfs/dbraw/zinc/48/39/33/413483933.db2.gz VAPKPFOCPCFUHH-UHFFFAOYSA-N 0 1 252.308 2.663 20 30 CFEDMN C=CCCCNC(=O)NC[C@@H]1CCN1Cc1ccccc1 ZINC000661094592 413744584 /nfs/dbraw/zinc/74/45/84/413744584.db2.gz VTISHXDSFCZCQR-INIZCTEOSA-N 0 1 287.407 2.526 20 30 CFEDMN C=CCCCNC(=O)NC[C@H]1CCN1Cc1ccccc1 ZINC000661094890 413746070 /nfs/dbraw/zinc/74/60/70/413746070.db2.gz VTISHXDSFCZCQR-MRXNPFEDSA-N 0 1 287.407 2.526 20 30 CFEDMN C=CCN(Cc1cnn(-c2ccccc2)c1)[C@@H](C)COC ZINC000661244064 413847769 /nfs/dbraw/zinc/84/77/69/413847769.db2.gz QKTUUXUAWVPTTK-HNNXBMFYSA-N 0 1 285.391 2.895 20 30 CFEDMN C=CC[C@H]1CCCN(Cc2nc3ccc(OC)nc3[nH]2)C1 ZINC000661381519 413942957 /nfs/dbraw/zinc/94/29/57/413942957.db2.gz MMVHCFVYKDVHKT-LBPRGKRZSA-N 0 1 286.379 2.755 20 30 CFEDMN C=C1C[C@H]2CC[C@@H](C1)N2C(=O)NCc1ccc2cncn2c1 ZINC000661305567 413887491 /nfs/dbraw/zinc/88/74/91/413887491.db2.gz SUMBCMBDNWRBKA-GASCZTMLSA-N 0 1 296.374 2.727 20 30 CFEDMN C=CC[C@H](Cc1ccccc1)NC(=O)N(C)Cc1cnc[nH]1 ZINC000661324176 413899155 /nfs/dbraw/zinc/89/91/55/413899155.db2.gz DALRBTFHHLNJDD-OAHLLOKOSA-N 0 1 298.390 2.739 20 30 CFEDMN C=CCC[C@H](O)CN1CC(C)(C)[C@@H]1c1ccncc1 ZINC000664834823 413967470 /nfs/dbraw/zinc/96/74/70/413967470.db2.gz VYRINVPVWVXSMQ-GJZGRUSLSA-N 0 1 260.381 2.792 20 30 CFEDMN C=CCN1CC[C@H](N[C@@H](c2ccccc2F)C(C)C)C1=O ZINC000661482762 414000719 /nfs/dbraw/zinc/00/07/19/414000719.db2.gz COUHAXMNKCTQPE-JKSUJKDBSA-N 0 1 290.382 2.899 20 30 CFEDMN CN(Cc1ccc(C#N)cc1F)[C@H]1CCSC1 ZINC000037174880 173009652 /nfs/dbraw/zinc/00/96/52/173009652.db2.gz YALHWTWMBYFXDR-LBPRGKRZSA-N 0 1 250.342 2.635 20 30 CFEDMN C[C@@H](N[C@@H](C)c1ccc(C#N)cc1)C(=O)NC(C)(C)C ZINC000037502303 173239064 /nfs/dbraw/zinc/23/90/64/173239064.db2.gz YLLWGXUHGRFDJJ-NWDGAFQWSA-N 0 1 273.380 2.512 20 30 CFEDMN C=CC[C@@H]1CCCC[C@H]1[NH2+]Cc1nnc([C@H]2CCCO2)[n-]1 ZINC000658046119 414129994 /nfs/dbraw/zinc/12/99/94/414129994.db2.gz KFEIHFJOPYGZHK-MGPQQGTHSA-N 0 1 290.411 2.881 20 30 CFEDMN C=CCCn1cc(CN2C[C@H](CC)CC[C@H]2C)nn1 ZINC000661859699 414268195 /nfs/dbraw/zinc/26/81/95/414268195.db2.gz CYYJDMIXILCVLJ-ZIAGYGMSSA-N 0 1 262.401 2.865 20 30 CFEDMN C=CCn1c(C)cc(C(=O)CN2CC[C@@H]3C[C@@H]3C2)c1C ZINC000661976228 414328394 /nfs/dbraw/zinc/32/83/94/414328394.db2.gz UGMNUDFBIYLTFO-HUUCEWRRSA-N 0 1 272.392 2.815 20 30 CFEDMN CCC#C[C@@H](C)Sc1nc(-c2cccnc2)n[nH]1 ZINC000665686296 414410543 /nfs/dbraw/zinc/41/05/43/414410543.db2.gz GBIBYCKNCLFFRR-SNVBAGLBSA-N 0 1 258.350 2.761 20 30 CFEDMN C=C1C[C@H]2CC[C@@H](C1)N2CC(=O)Nc1ccccc1 ZINC000662079572 414398789 /nfs/dbraw/zinc/39/87/89/414398789.db2.gz KLADUKFLIZFCLK-GASCZTMLSA-N 0 1 256.349 2.808 20 30 CFEDMN C=C1C[C@H]2CC[C@@H](C1)[N@H+]2[C@H](C)c1nc(C)cc(=O)[n-]1 ZINC000662091531 414405777 /nfs/dbraw/zinc/40/57/77/414405777.db2.gz ZMXNDQOBIDCXLC-UPJWGTAASA-N 0 1 259.353 2.735 20 30 CFEDMN C=C1C[C@H]2CC[C@@H](C1)[N@@H+]2[C@H](C)c1nc(C)cc(=O)[n-]1 ZINC000662091531 414405782 /nfs/dbraw/zinc/40/57/82/414405782.db2.gz ZMXNDQOBIDCXLC-UPJWGTAASA-N 0 1 259.353 2.735 20 30 CFEDMN C=CC[C@@]1(C(=O)Nc2ccc(Cl)cc2[O-])CCC[NH2+]1 ZINC000662787221 414608440 /nfs/dbraw/zinc/60/84/40/414608440.db2.gz JIWOZXKBARBIEI-AWEZNQCLSA-N 0 1 280.755 2.682 20 30 CFEDMN C=CC[C@@H]1CCCN(C(=O)[C@@H]2NCCc3ccccc32)C1 ZINC000662857217 414622026 /nfs/dbraw/zinc/62/20/26/414622026.db2.gz IIWHIUUDLPUVPM-RHSMWYFYSA-N 0 1 284.403 2.688 20 30 CFEDMN N#CCCCNCc1cc(F)ccc1Br ZINC000038039371 174039496 /nfs/dbraw/zinc/03/94/96/174039496.db2.gz ATZRLULTFLBEKJ-UHFFFAOYSA-N 0 1 271.133 2.982 20 30 CFEDMN C=CCCCN(C)[C@@H](C)C(=O)Nc1nc(C)c(C)s1 ZINC000076738442 177077975 /nfs/dbraw/zinc/07/79/75/177077975.db2.gz AOWVOMVVZHNZNI-NSHDSACASA-N 0 1 281.425 2.985 20 30 CFEDMN N#CCC(=O)N1CCC[C@@H]1c1nc2ccc(Cl)cc2[nH]1 ZINC000335003065 225392893 /nfs/dbraw/zinc/39/28/93/225392893.db2.gz VUOFWYLFMYDTCV-GFCCVEGCSA-N 0 1 288.738 2.793 20 30 CFEDMN C[C@@H]1CC[C@@H](C)N1CC(=O)Nc1c[nH]nc1-c1ccccn1 ZINC000329155931 227330365 /nfs/dbraw/zinc/33/03/65/227330365.db2.gz BUUCWYKBHRDVJF-VXGBXAGGSA-N 0 1 299.378 2.933 20 30 CFEDMN C[C@@H]1C[C@@]1(C#N)C(=O)Nc1ccc2nc(C(F)F)[nH]c2c1 ZINC000336188369 228208805 /nfs/dbraw/zinc/20/88/05/228208805.db2.gz DKFAHZCAPUTNPT-UOWDBTKRSA-N 0 1 290.273 2.989 20 30 CFEDMN C[C@H](c1ccccc1)[N@H+]1CC[C@@H](NC(=O)CC(C)(C)C#N)C1 ZINC000352045559 228176908 /nfs/dbraw/zinc/17/69/08/228176908.db2.gz CHKPREBXXOSDOI-GDBMZVCRSA-N 0 1 299.418 2.878 20 30 CFEDMN CC[C@@]1(CO)CCCN(CC#Cc2ccc(F)cc2)C1 ZINC000187537567 260039331 /nfs/dbraw/zinc/03/93/31/260039331.db2.gz ZTRVNMAANWQYDY-QGZVFWFLSA-N 0 1 275.367 2.662 20 30 CFEDMN C=CCN(CC1CCCCC1)C(=O)c1coc(CN)c1 ZINC000187767963 260057692 /nfs/dbraw/zinc/05/76/92/260057692.db2.gz WBAJJBMJGGHSBP-UHFFFAOYSA-N 0 1 276.380 2.947 20 30 CFEDMN CN(Cc1cnn2ccccc12)Cc1ccc(C#N)cc1 ZINC000180053614 260090844 /nfs/dbraw/zinc/09/08/44/260090844.db2.gz NVDIGURVKFWBPF-UHFFFAOYSA-N 0 1 276.343 2.838 20 30 CFEDMN C=CCCCN1CCN(C(=O)c2ccc(F)cc2)CC1 ZINC000117872392 260118050 /nfs/dbraw/zinc/11/80/50/260118050.db2.gz NGQGGACGKSCYGV-UHFFFAOYSA-N 0 1 276.355 2.550 20 30 CFEDMN C=C(C)CN(CC)[C@H](C)C(=O)NCc1ccccc1 ZINC000102669879 260133969 /nfs/dbraw/zinc/13/39/69/260133969.db2.gz VKHALYNPKVQWHM-CQSZACIVSA-N 0 1 260.381 2.589 20 30 CFEDMN CN(CCc1ccccc1)CC(=O)NC1(C#N)CCCCC1 ZINC000051997988 260210107 /nfs/dbraw/zinc/21/01/07/260210107.db2.gz MZHRQQQZNDUJLU-UHFFFAOYSA-N 0 1 299.418 2.504 20 30 CFEDMN C[C@@H](C(=O)N(CCC#N)c1ccccc1)N1CCC[C@H]1C ZINC000072875989 260278897 /nfs/dbraw/zinc/27/88/97/260278897.db2.gz IYMMQFMSHQUJPX-CABCVRRESA-N 0 1 285.391 2.806 20 30 CFEDMN N#CCCN(CCc1ccc2c(c1)CCO2)CC1CC1 ZINC000081514867 260333897 /nfs/dbraw/zinc/33/38/97/260333897.db2.gz HHJDWOCNDNVEOE-UHFFFAOYSA-N 0 1 270.376 2.790 20 30 CFEDMN C=C(C)C[N@H+](CC)Cc1ccc(C(=O)[O-])cc1F ZINC000518201133 260355541 /nfs/dbraw/zinc/35/55/41/260355541.db2.gz STCIQRHLIBSTPQ-UHFFFAOYSA-N 0 1 251.301 2.922 20 30 CFEDMN CC1CCN(CC(=O)N[C@H](CCC#N)c2ccccc2)CC1 ZINC000153507915 261079155 /nfs/dbraw/zinc/07/91/55/261079155.db2.gz BXGXUDNKGRDBEI-QGZVFWFLSA-N 0 1 299.418 2.880 20 30 CFEDMN C#CCN1CCC(C(=O)OC/C=C\c2ccccc2)CC1 ZINC000490873315 261233555 /nfs/dbraw/zinc/23/35/55/261233555.db2.gz IIJLYZXRFOXVDN-TWGQIWQCSA-N 0 1 283.371 2.588 20 30 CFEDMN CCN(C)[C@H](C(=O)N(CC)C[C@@H](C)C#N)c1ccccc1 ZINC000104040019 261290195 /nfs/dbraw/zinc/29/01/95/261290195.db2.gz MAFKOMPTCOYORG-HOCLYGCPSA-N 0 1 287.407 2.688 20 30 CFEDMN CC[C@H](CC#N)NCc1ccc(N(C)CCC#N)cc1 ZINC000184093851 262008879 /nfs/dbraw/zinc/00/88/79/262008879.db2.gz RJDONUWHWHKJDN-OAHLLOKOSA-N 0 1 270.380 2.818 20 30 CFEDMN C(#Cc1ccccc1)CN[C@@H](c1nnc[nH]1)c1ccccc1 ZINC000364587951 262254509 /nfs/dbraw/zinc/25/45/09/262254509.db2.gz GYEDHTNCQLIYSK-QGZVFWFLSA-N 0 1 288.354 2.535 20 30 CFEDMN C=CCOc1ccccc1CNCc1ccnc(OC)c1 ZINC000057395175 262349016 /nfs/dbraw/zinc/34/90/16/262349016.db2.gz XFYXOKGBCYXLKM-UHFFFAOYSA-N 0 1 284.359 2.945 20 30 CFEDMN C(#Cc1ccccc1)CN1CCC[C@H](n2cccn2)C1 ZINC000365245880 262354495 /nfs/dbraw/zinc/35/44/95/262354495.db2.gz XRDZZEPJHQBXAA-KRWDZBQOSA-N 0 1 265.360 2.572 20 30 CFEDMN Cc1cn[nH]c1CN1CCC[C@@H]1[C@@H](C#N)c1ccccc1 ZINC000365594077 262372528 /nfs/dbraw/zinc/37/25/28/262372528.db2.gz FJDADAWATIEAHI-DOTOQJQBSA-N 0 1 280.375 2.990 20 30 CFEDMN C=CCC[N@@H+]1C[C@@H](C2CCCCC2)C[C@H]1C(=O)[O-] ZINC000518797668 262389024 /nfs/dbraw/zinc/38/90/24/262389024.db2.gz GCPVKSPIFXWIJO-KBPBESRZSA-N 0 1 251.370 2.918 20 30 CFEDMN C=C(C)[C@H](CC(=O)Nc1ccc2nc[nH]c2c1)OCC ZINC000339403200 262638262 /nfs/dbraw/zinc/63/82/62/262638262.db2.gz CLBFTWJRWQGYQJ-AWEZNQCLSA-N 0 1 273.336 2.873 20 30 CFEDMN COC[C@@H](C/N=C/c1cc(Cl)cc(Cl)c1O)OC ZINC000272637215 263007960 /nfs/dbraw/zinc/00/79/60/263007960.db2.gz MXGHWWXWBDHKCI-WEAXSSFESA-N 0 1 292.162 2.779 20 30 CFEDMN CC#CCCN(CC)[C@H]1CCN(c2ccccc2)C1=O ZINC000155730905 263009038 /nfs/dbraw/zinc/00/90/38/263009038.db2.gz DFODWYBLXOLDIA-INIZCTEOSA-N 0 1 270.376 2.527 20 30 CFEDMN C=C[C@H](Cc1nc(C2(N)CCC2)no1)c1ccccc1 ZINC000414623907 263015396 /nfs/dbraw/zinc/01/53/96/263015396.db2.gz FQYORPMHBUMCJM-GFCCVEGCSA-N 0 1 269.348 2.920 20 30 CFEDMN CN(CCC#N)[C@@H]1CCO[C@H](c2ccc(F)cc2)C1 ZINC000273368406 263016213 /nfs/dbraw/zinc/01/62/13/263016213.db2.gz BPJRREDNAGWEKJ-CABCVRRESA-N 0 1 262.328 2.891 20 30 CFEDMN N#CC1(c2nc(-c3ccc4[nH]cnc4c3)no2)CCCC1 ZINC000273859404 263020047 /nfs/dbraw/zinc/02/00/47/263020047.db2.gz JINCNHVBLVKBAJ-UHFFFAOYSA-N 0 1 279.303 2.948 20 30 CFEDMN C=CCOc1cccc(C[N@H+](CC(=O)[O-])[C@H](C)CC)c1 ZINC000414685037 263032076 /nfs/dbraw/zinc/03/20/76/263032076.db2.gz RSLNOZWPBQNOHT-CYBMUJFWSA-N 0 1 277.364 2.937 20 30 CFEDMN C[C@@H](CCC#N)[N@@H+](C)[C@H]1CCCN(c2ccccc2)C1=O ZINC000276270654 263035721 /nfs/dbraw/zinc/03/57/21/263035721.db2.gz CUYIUYBPLFWJMT-HOCLYGCPSA-N 0 1 285.391 2.806 20 30 CFEDMN C[C@@H](CCC#N)N(C)[C@H]1CCCN(c2ccccc2)C1=O ZINC000276270654 263035722 /nfs/dbraw/zinc/03/57/22/263035722.db2.gz CUYIUYBPLFWJMT-HOCLYGCPSA-N 0 1 285.391 2.806 20 30 CFEDMN C[C@H](CCC#N)[N@@H+](C)[C@@H]1CCCN(c2ccccc2)C1=O ZINC000276270649 263035857 /nfs/dbraw/zinc/03/58/57/263035857.db2.gz CUYIUYBPLFWJMT-GDBMZVCRSA-N 0 1 285.391 2.806 20 30 CFEDMN C[C@H](CCC#N)N(C)[C@@H]1CCCN(c2ccccc2)C1=O ZINC000276270649 263035858 /nfs/dbraw/zinc/03/58/58/263035858.db2.gz CUYIUYBPLFWJMT-GDBMZVCRSA-N 0 1 285.391 2.806 20 30 CFEDMN COc1cc2c(cc1OC)CN([C@@H](C)CCC#N)CC2 ZINC000276325086 263036176 /nfs/dbraw/zinc/03/61/76/263036176.db2.gz PNHYQIZWZLRCOU-LBPRGKRZSA-N 0 1 274.364 2.754 20 30 CFEDMN CC(C)c1cc(C(=O)N2CCCC(C)(C)[C@@H]2C#N)n[nH]1 ZINC000277457962 263041247 /nfs/dbraw/zinc/04/12/47/263041247.db2.gz GRJTXFRCUVGRGB-ZDUSSCGKSA-N 0 1 274.368 2.687 20 30 CFEDMN N#CC1(c2nc(-c3ccn4cncc4c3)no2)CCCC1 ZINC000279474631 263055662 /nfs/dbraw/zinc/05/56/62/263055662.db2.gz GMHNCSRADSXDFU-UHFFFAOYSA-N 0 1 279.303 2.720 20 30 CFEDMN CCCCCCCS(=O)(=O)Nc1n[nH]cc1SC ZINC000282443811 263076715 /nfs/dbraw/zinc/07/67/15/263076715.db2.gz OFOOZRYHLFONGD-UHFFFAOYSA-N 0 1 291.442 2.844 20 30 CFEDMN C=CCNC(=O)CNC1(c2ccc(Cl)cc2)CCC1 ZINC000104707918 263081611 /nfs/dbraw/zinc/08/16/11/263081611.db2.gz KVWGTRHOGGXVRI-UHFFFAOYSA-N 0 1 278.783 2.611 20 30 CFEDMN N#C[C@@H]1CC[C@H](Sc2nc(-c3ccccc3O)n[nH]2)C1 ZINC000287573314 263102100 /nfs/dbraw/zinc/10/21/00/263102100.db2.gz PWLIVPBPBOIGGV-ZJUUUORDSA-N 0 1 286.360 2.962 20 30 CFEDMN C[C@H]1CN(c2cccc(F)c2)CCN1CCCC#N ZINC000292107790 263128525 /nfs/dbraw/zinc/12/85/25/263128525.db2.gz GQZDPSGSCDZFIQ-ZDUSSCGKSA-N 0 1 261.344 2.640 20 30 CFEDMN Cc1cc(CN[C@H]2CCC[C@@H](C#N)C2)nc(N2CCCC2)n1 ZINC000293253008 263138937 /nfs/dbraw/zinc/13/89/37/263138937.db2.gz BSCWRCFNTXKLFX-CABCVRRESA-N 0 1 299.422 2.557 20 30 CFEDMN CC(C)N(CCOCCC#N)Cc1ccccc1F ZINC000293665363 263146304 /nfs/dbraw/zinc/14/63/04/263146304.db2.gz YZMRNOLGTKQSIG-UHFFFAOYSA-N 0 1 264.344 2.966 20 30 CFEDMN C#CCOc1ccc(CNCc2ccnn2C(C)C)cc1 ZINC000295007223 263170802 /nfs/dbraw/zinc/17/08/02/263170802.db2.gz LVMGHWBIAFIYCP-UHFFFAOYSA-N 0 1 283.375 2.766 20 30 CFEDMN CC(C)(CCC#N)CNCc1ncc(C(F)(F)F)cn1 ZINC000295110898 263172430 /nfs/dbraw/zinc/17/24/30/263172430.db2.gz WCVDSHVPWCRGQO-UHFFFAOYSA-N 0 1 286.301 2.915 20 30 CFEDMN C[C@H](C#N)C(=O)Nc1ccc2nc(-c3ccco3)[nH]c2c1 ZINC000340509752 263180855 /nfs/dbraw/zinc/18/08/55/263180855.db2.gz RGWPZKLHNGTIRX-SECBINFHSA-N 0 1 280.287 2.921 20 30 CFEDMN CN(CCCC#N)[C@H](CO)c1ccc(Cl)cc1 ZINC000296426432 263191469 /nfs/dbraw/zinc/19/14/69/263191469.db2.gz VCDMFCGCBVPEON-CYBMUJFWSA-N 0 1 252.745 2.609 20 30 CFEDMN C=C(C)CN(CC)[C@@H](C)C(=O)NC1(C#N)CCCCC1 ZINC000298683330 263224109 /nfs/dbraw/zinc/22/41/09/263224109.db2.gz VAQBKGUSUSSDAZ-AWEZNQCLSA-N 0 1 277.412 2.616 20 30 CFEDMN C[C@H](CCC#N)N(C)Cc1ccc([S@](C)=O)cc1 ZINC000299355516 263240372 /nfs/dbraw/zinc/24/03/72/263240372.db2.gz RBOZZUKVQYGBJB-XIKOKIGWSA-N 0 1 264.394 2.548 20 30 CFEDMN CCN(CCC#N)C(=O)CN([C@H](C)c1ccccc1)C1CC1 ZINC000299381213 263241195 /nfs/dbraw/zinc/24/11/95/263241195.db2.gz NXMVIFCZVYTGQQ-OAHLLOKOSA-N 0 1 299.418 2.974 20 30 CFEDMN C=CC[N@H+](C)Cc1cccc(C(=O)N2CCCCC2)c1 ZINC000121132938 263290248 /nfs/dbraw/zinc/29/02/48/263290248.db2.gz KYLIMAYIINAMEK-UHFFFAOYSA-N 0 1 272.392 2.931 20 30 CFEDMN C=CCN(C)Cc1cccc(C(=O)N2CCCCC2)c1 ZINC000121132938 263290249 /nfs/dbraw/zinc/29/02/49/263290249.db2.gz KYLIMAYIINAMEK-UHFFFAOYSA-N 0 1 272.392 2.931 20 30 CFEDMN CC#CCN1CCCN(c2ccc(F)c(F)c2)CC1 ZINC000342125511 263390410 /nfs/dbraw/zinc/39/04/10/263390410.db2.gz KILZTFATVBSLEU-UHFFFAOYSA-N 0 1 264.319 2.500 20 30 CFEDMN N#CCC[C@@H](NCc1ccc(C(N)=O)cc1)c1ccccc1 ZINC000342188927 263396697 /nfs/dbraw/zinc/39/66/97/263396697.db2.gz DMPSDIDMCLYZSB-QGZVFWFLSA-N 0 1 293.370 2.920 20 30 CFEDMN C=CCc1cc(CN[C@@H](C)CF)cc(OC)c1O ZINC000342196420 263398820 /nfs/dbraw/zinc/39/88/20/263398820.db2.gz FGRASLPYGPVAGJ-JTQLQIEISA-N 0 1 253.317 2.577 20 30 CFEDMN CC(C)c1nc([C@@H]2CCCCN2CCCC#N)n[nH]1 ZINC000330827558 264048956 /nfs/dbraw/zinc/04/89/56/264048956.db2.gz GCLLWUXVRJAEMD-LBPRGKRZSA-N 0 1 261.373 2.759 20 30 CFEDMN CCC[NH+]1CCC(NC(=O)c2c(F)ccc([O-])c2F)CC1 ZINC000330833195 264050285 /nfs/dbraw/zinc/05/02/85/264050285.db2.gz HJLCFVNSZBPCAN-UHFFFAOYSA-N 0 1 298.333 2.849 20 30 CFEDMN Cc1cnc(C(=O)NC[C@@H]2CCC[N@@H+](C(C)C)C2)c([O-])c1 ZINC000330888482 264064512 /nfs/dbraw/zinc/06/45/12/264064512.db2.gz UJENZURHSGCRNV-ZDUSSCGKSA-N 0 1 291.395 2.521 20 30 CFEDMN Cc1cnc(C(=O)NC[C@@H]2CCC[N@H+](C(C)C)C2)c([O-])c1 ZINC000330888482 264064514 /nfs/dbraw/zinc/06/45/14/264064514.db2.gz UJENZURHSGCRNV-ZDUSSCGKSA-N 0 1 291.395 2.521 20 30 CFEDMN CCC[NH+]1CCC(CNC(=O)c2ncc(C)cc2[O-])CC1 ZINC000330892309 264076944 /nfs/dbraw/zinc/07/69/44/264076944.db2.gz XQVSGDUQXRYXNB-UHFFFAOYSA-N 0 1 291.395 2.522 20 30 CFEDMN CCc1onc(C)c1NC(=O)c1ncc(C)cc1O ZINC000331218429 264164932 /nfs/dbraw/zinc/16/49/32/264164932.db2.gz XDPUWHYUHCSDBC-UHFFFAOYSA-N 0 1 261.281 2.591 20 30 CFEDMN CC(C)c1occc1C(=O)NC[C@H]1CCCCN1CCO ZINC000331300967 264199415 /nfs/dbraw/zinc/19/94/15/264199415.db2.gz DYCOYWSHMPIWMX-CYBMUJFWSA-N 0 1 294.395 2.554 20 30 CFEDMN CCC1(CNC(=O)N(C)Cc2nnc[nH]2)CCCCC1 ZINC000331350754 264206576 /nfs/dbraw/zinc/20/65/76/264206576.db2.gz NXHMYJMKNSEKPC-UHFFFAOYSA-N 0 1 279.388 2.511 20 30 CFEDMN CCCC[C@@H]1CCC[C@H]1NC(=O)N(C)Cc1nnc[nH]1 ZINC000331360487 264208927 /nfs/dbraw/zinc/20/89/27/264208927.db2.gz XWOTZPWCTTVOEB-VXGBXAGGSA-N 0 1 279.388 2.509 20 30 CFEDMN C=CCCC[C@@H](C)NC(=O)N[C@@H]1CCCc2cn[nH]c21 ZINC000334008303 264233191 /nfs/dbraw/zinc/23/31/91/264233191.db2.gz WUTQUHBXPMLSPK-DGCLKSJQSA-N 0 1 276.384 2.831 20 30 CFEDMN C=CCCC[C@@H](C)NC(=O)N[C@H]1CCCc2cn[nH]c21 ZINC000334008304 264233353 /nfs/dbraw/zinc/23/33/53/264233353.db2.gz WUTQUHBXPMLSPK-YPMHNXCESA-N 0 1 276.384 2.831 20 30 CFEDMN C=CCOc1ccccc1C(=O)N[C@@H](C)Cc1cc(C)[nH]n1 ZINC000161639424 264291270 /nfs/dbraw/zinc/29/12/70/264291270.db2.gz LAQXZKGCQOMLAU-LBPRGKRZSA-N 0 1 299.374 2.644 20 30 CFEDMN COC(=O)[C@H](CCN[C@H]1CCC[C@H]1C#N)c1ccccc1 ZINC000425461603 264333525 /nfs/dbraw/zinc/33/35/25/264333525.db2.gz VBWBENHWGDIDIB-XHSDSOJGSA-N 0 1 286.375 2.615 20 30 CFEDMN CC#CCCCC(=O)NC[C@@H](c1ccc(F)cc1)N(C)C ZINC000185229853 265011584 /nfs/dbraw/zinc/01/15/84/265011584.db2.gz USODLAYRKFHJHB-INIZCTEOSA-N 0 1 290.382 2.738 20 30 CFEDMN C=CCOc1ccc(C[N@@H+]2CC[C@H](C(=O)OC)[C@H]2C)cc1 ZINC000347276473 265127271 /nfs/dbraw/zinc/12/72/71/265127271.db2.gz LDUQINUHLRDQDK-CJNGLKHVSA-N 0 1 289.375 2.635 20 30 CFEDMN C=C[C@H](CO)NCc1cn(-c2ccccc2)nc1C(C)C ZINC000356243640 266080199 /nfs/dbraw/zinc/08/01/99/266080199.db2.gz YWXRBKVANHFKEP-OAHLLOKOSA-N 0 1 285.391 2.632 20 30 CFEDMN C[C@H](C(=O)N1[C@H](C)CCC[C@H]1C)N1CCC(C)(C#N)CC1 ZINC000356460271 266118328 /nfs/dbraw/zinc/11/83/28/266118328.db2.gz RLCCYBKPCLRIQR-RBSFLKMASA-N 0 1 291.439 2.790 20 30 CFEDMN C[C@@H]1CN(C)C[C@@H](C)N1C(=O)C[C@@H](CC#N)c1ccccc1 ZINC000356545828 266134960 /nfs/dbraw/zinc/13/49/60/266134960.db2.gz VSHBZZDKTQCORK-BFYDXBDKSA-N 0 1 299.418 2.625 20 30 CFEDMN CC(C)C[C@@H](N)c1noc(-c2cccc(CC#N)c2)n1 ZINC000361606242 266857580 /nfs/dbraw/zinc/85/75/80/266857580.db2.gz FMGHGZPVJPLSMX-CYBMUJFWSA-N 0 1 270.336 2.849 20 30 CFEDMN C=C[C@@H](C)NC(=O)[C@@H](c1ccccc1)N(CC)CC ZINC000362603564 267019157 /nfs/dbraw/zinc/01/91/57/267019157.db2.gz YQJUMRQRQCCOAO-UKRRQHHQSA-N 0 1 260.381 2.760 20 30 CFEDMN C[C@@H]1CN(c2ccc(C#N)cn2)CCN1Cc1ccccc1 ZINC000396424956 267060817 /nfs/dbraw/zinc/06/08/17/267060817.db2.gz WWYYKFRROZCAED-OAHLLOKOSA-N 0 1 292.386 2.664 20 30 CFEDMN C=CCN(CC=C)CCC(=O)c1ccc2c(c1)OCCO2 ZINC000362966651 267068488 /nfs/dbraw/zinc/06/84/88/267068488.db2.gz MFMAKCCCRVSFCU-UHFFFAOYSA-N 0 1 287.359 2.705 20 30 CFEDMN CC(C)(C#N)CCCCN1CCC[C@@](F)(CO)C1 ZINC000367864752 267122404 /nfs/dbraw/zinc/12/24/04/267122404.db2.gz LNVDQEYYSILRIE-AWEZNQCLSA-N 0 1 256.365 2.503 20 30 CFEDMN C#CCCCN1CC(=O)Nc2cccc3c2[C@H]1CCC3 ZINC000367837748 267121252 /nfs/dbraw/zinc/12/12/52/267121252.db2.gz VLXMOYJBYWBMPT-OAHLLOKOSA-N 0 1 268.360 2.732 20 30 CFEDMN Clc1cccc(C#CCN2CCC3(CCO3)CC2)c1 ZINC000368527827 267180752 /nfs/dbraw/zinc/18/07/52/267180752.db2.gz MISNCBFTVFWTMG-UHFFFAOYSA-N 0 1 275.779 2.946 20 30 CFEDMN C=CCN(CC)Cc1nc2c(s1)CN(C(C)C)CC2 ZINC000368618679 267191161 /nfs/dbraw/zinc/19/11/61/267191161.db2.gz WHVLJAGANMGRGA-UHFFFAOYSA-N 0 1 279.453 2.918 20 30 CFEDMN C=CCCC[N@H+](CC)CC(=O)NCc1ccc(F)cc1 ZINC000117870709 267223621 /nfs/dbraw/zinc/22/36/21/267223621.db2.gz UKHRLBRRUZYXIL-UHFFFAOYSA-N 0 1 278.371 2.730 20 30 CFEDMN CN(CC(=O)Nc1ccc(C#N)c(Cl)c1)C(C)(C)C ZINC000514671029 267298393 /nfs/dbraw/zinc/29/83/93/267298393.db2.gz PYZODQVVSHYZEX-UHFFFAOYSA-N 0 1 279.771 2.880 20 30 CFEDMN CC[C@H](C#N)NC(=O)[C@@H]1CCCCN1Cc1cccc(C)c1 ZINC000371164605 267356808 /nfs/dbraw/zinc/35/68/08/267356808.db2.gz OXIORPRLSRSLHV-SJORKVTESA-N 0 1 299.418 2.768 20 30 CFEDMN Cc1cc([C@@H](C#N)C(=O)c2ccc(C#N)s2)nc(C)n1 ZINC000429343746 268019216 /nfs/dbraw/zinc/01/92/16/268019216.db2.gz IPUADQQJGDUJNN-LLVKDONJSA-N 0 1 282.328 2.517 20 30 CFEDMN Cc1cc(C(C#N)C(=O)c2ccc(C#N)s2)nc(C)n1 ZINC000429343746 268019219 /nfs/dbraw/zinc/01/92/19/268019219.db2.gz IPUADQQJGDUJNN-LLVKDONJSA-N 0 1 282.328 2.517 20 30 CFEDMN CCC[C@H](CNc1nc(C#N)c(Cl)s1)OCC ZINC000528082452 270582909 /nfs/dbraw/zinc/58/29/09/270582909.db2.gz JXJBEUSSLFKAFE-MRVPVSSYSA-N 0 1 273.789 2.707 20 30 CFEDMN CCN1CCN(c2c(C#N)cnc3c(C)cc(C)cc32)CC1 ZINC000301336675 273666030 /nfs/dbraw/zinc/66/60/30/273666030.db2.gz GPUQRSOKBRRKMO-UHFFFAOYSA-N 0 1 294.402 2.865 20 30 CFEDMN C[C@@H]1C[C@@H](CO)CCN1CC#Cc1cccc(Cl)c1 ZINC000344150941 274386200 /nfs/dbraw/zinc/38/62/00/274386200.db2.gz GGAJFXKXOZXZAS-HIFRSBDPSA-N 0 1 277.795 2.784 20 30 CFEDMN OC[C@H]1CCCCN1CC#Cc1ccc(C(F)(F)F)cc1 ZINC000267404739 275049935 /nfs/dbraw/zinc/04/99/35/275049935.db2.gz QKQXPPIAJCYQMO-OAHLLOKOSA-N 0 1 297.320 2.904 20 30 CFEDMN COC[C@H](N[C@@H](C)c1ccc(C#N)cc1F)[C@H]1CCCO1 ZINC000433001446 277262988 /nfs/dbraw/zinc/26/29/88/277262988.db2.gz IAPWMJVLKOGGAD-KNXALSJPSA-N 0 1 292.354 2.542 20 30 CFEDMN COc1ccncc1CN[C@H]1CCc2ccc(C#N)cc21 ZINC000340403299 278069343 /nfs/dbraw/zinc/06/93/43/278069343.db2.gz DHQJKTORDXAMCU-INIZCTEOSA-N 0 1 279.343 2.739 20 30 CFEDMN N#Cc1cnc(N2CCc3cnccc32)c(Cl)c1 ZINC000175005917 279544084 /nfs/dbraw/zinc/54/40/84/279544084.db2.gz OSDPPTJROSYBPT-UHFFFAOYSA-N 0 1 256.696 2.696 20 30 CFEDMN C[C@]1(CNC(=O)[C@@H]2CCCN2C2CC2)CCCC[C@H]1O ZINC000330215829 280152625 /nfs/dbraw/zinc/15/26/25/280152625.db2.gz HIXKSRPNMKUQFD-SQWLQELKSA-N 0 1 280.412 2.511 20 30 CFEDMN CC[C@H]1CCC[C@H]1C(=O)N=c1[nH]n(C(C)C)cc1C#N ZINC000410541876 288228553 /nfs/dbraw/zinc/22/85/53/288228553.db2.gz PGZWHVYQSFCMPB-WCQYABFASA-N 0 1 274.368 2.522 20 30 CFEDMN N#Cc1c(F)cccc1N1CCN([C@@H]2C=CCCC2)CC1 ZINC000066494229 280469779 /nfs/dbraw/zinc/46/97/79/280469779.db2.gz JZIHZOZUDIMPIX-CQSZACIVSA-N 0 1 285.366 2.928 20 30 CFEDMN N#Cc1ccc(CNCc2cccc(C#N)c2)s1 ZINC000135678145 280776228 /nfs/dbraw/zinc/77/62/28/280776228.db2.gz XUCAINZSLAVNIV-UHFFFAOYSA-N 0 1 253.330 2.781 20 30 CFEDMN CC[C@H](C)NC(=O)CN(CC)[C@H](C)c1ccc(C#N)cc1 ZINC000249747851 281065753 /nfs/dbraw/zinc/06/57/53/281065753.db2.gz ADBOOECBVPFCJH-UONOGXRCSA-N 0 1 287.407 2.856 20 30 CFEDMN CC(=Cc1ccccc1F)c1nc(C)c(C#N)c(=O)[nH]1 ZINC000516780959 281305887 /nfs/dbraw/zinc/30/58/87/281305887.db2.gz NFZZVYSMEOXQJS-VQHVLOKHSA-N 0 1 269.279 2.650 20 30 CFEDMN COC[C@@H](NCc1ccc(Cl)cc1C#N)C(C)C ZINC000547830830 281757546 /nfs/dbraw/zinc/75/75/46/281757546.db2.gz HVNVWKCQKBPRPR-CQSZACIVSA-N 0 1 266.772 2.972 20 30 CFEDMN COc1ccc([C@H](C)NCc2ccc(C#N)cn2)cc1 ZINC000562043634 282065801 /nfs/dbraw/zinc/06/58/01/282065801.db2.gz ZEOYKPIMVJGMGV-LBPRGKRZSA-N 0 1 267.332 2.813 20 30 CFEDMN CCC(O)(CC)C(C)(C)CNCc1nc(C#N)cs1 ZINC000565242363 290288026 /nfs/dbraw/zinc/28/80/26/290288026.db2.gz ODWPMDLCYOHGDK-UHFFFAOYSA-N 0 1 281.425 2.682 20 30 CFEDMN O=C(N[C@@H]1CC12CCCCC2)[C@@H]1CCc2[nH]nnc2C1 ZINC000329069236 295379362 /nfs/dbraw/zinc/37/93/62/295379362.db2.gz YAUUIRGEVMHQAK-ZWNOBZJWSA-N 0 1 274.368 2.589 20 30 CFEDMN O=C(N[C@@H]1CC12CCCCC2)[C@@H]1CCc2nn[nH]c2C1 ZINC000329069236 295379364 /nfs/dbraw/zinc/37/93/64/295379364.db2.gz YAUUIRGEVMHQAK-ZWNOBZJWSA-N 0 1 274.368 2.589 20 30 CFEDMN Cc1ccnc(N2CCN(C)C[C@H]2c2ccccc2)c1C#N ZINC000273037738 302272602 /nfs/dbraw/zinc/27/26/02/302272602.db2.gz OFARVNGEERVJMP-KRWDZBQOSA-N 0 1 292.386 2.755 20 30 CFEDMN C=C(C)CN1CC[C@@H]1CN(C)C(=O)c1cc(C)oc1C ZINC001085478168 782071342 /nfs/dbraw/zinc/07/13/42/782071342.db2.gz QLIKZYGZWWDFMS-CQSZACIVSA-N 0 1 276.380 2.619 20 30 CFEDMN C[C@@H](NC[C@@H](C#N)CCC#N)c1ccccc1-n1cccn1 ZINC000160842876 327915084 /nfs/dbraw/zinc/91/50/84/327915084.db2.gz DYFQMLARANCENQ-HUUCEWRRSA-N 0 1 293.374 2.966 20 30 CFEDMN C=C(C)C[N@H+](CC)[C@@H](C(=O)[O-])c1ccc(F)cc1 ZINC000563277201 328006813 /nfs/dbraw/zinc/00/68/13/328006813.db2.gz KKLIQHNZWWWYNY-CYBMUJFWSA-N 0 1 251.301 2.849 20 30 CFEDMN CCN(C(=O)CN1CCC(CC#N)CC1)c1ccccc1 ZINC000541019889 328040749 /nfs/dbraw/zinc/04/07/49/328040749.db2.gz LILYMUALFZIKDI-UHFFFAOYSA-N 0 1 285.391 2.665 20 30 CFEDMN C=CCN1C(=O)N=NC1S[C@@H]1CCC[C@@H](C)C1 ZINC000531850519 328044829 /nfs/dbraw/zinc/04/48/29/328044829.db2.gz SYMHRYWEKUHGFO-NXEZZACHSA-N 0 1 253.371 2.841 20 30 CFEDMN CN(C)[C@@H]1CCOc2c(NC(=O)C3(C#N)CCC3)cccc21 ZINC000563660817 328082503 /nfs/dbraw/zinc/08/25/03/328082503.db2.gz QJPIBWOAMWQNDZ-CQSZACIVSA-N 0 1 299.374 2.704 20 30 CFEDMN N#CCC1(CNCc2cccc3c2OC(F)(F)O3)CC1 ZINC000414444178 328171453 /nfs/dbraw/zinc/17/14/53/328171453.db2.gz KBJANIWTBXAYNN-UHFFFAOYSA-N 0 1 280.274 2.792 20 30 CFEDMN N#CCN(C(=O)c1cc(C2CCCCC2)[nH]n1)C1CC1 ZINC000270307633 328193089 /nfs/dbraw/zinc/19/30/89/328193089.db2.gz UBQBIBWZYGEHMR-UHFFFAOYSA-N 0 1 272.352 2.586 20 30 CFEDMN C[C@H](NCc1ccc(OCC#N)cc1)c1ccc(F)cn1 ZINC000271533288 328196729 /nfs/dbraw/zinc/19/67/29/328196729.db2.gz XBEZWXHKQOCWNY-LBPRGKRZSA-N 0 1 285.322 2.974 20 30 CFEDMN CC(C)C[C@H](N)c1noc([C@@]2(C#N)CC23CCCC3)n1 ZINC000414621761 328204602 /nfs/dbraw/zinc/20/46/02/328204602.db2.gz MCQWFFVPARSRAE-NHYWBVRUSA-N 0 1 274.368 2.841 20 30 CFEDMN C[C@H](CCC#N)N1CCC(n2c3ccccc3[nH]c2=O)CC1 ZINC000276359760 328217815 /nfs/dbraw/zinc/21/78/15/328217815.db2.gz YIDYNORLYCRWNV-CYBMUJFWSA-N 0 1 298.390 2.659 20 30 CFEDMN CC(C)(C#N)CC(=O)Nc1cccc(Cl)c1O ZINC000278510430 328225967 /nfs/dbraw/zinc/22/59/67/328225967.db2.gz ANZRWTWCQXXSBM-UHFFFAOYSA-N 0 1 252.701 2.924 20 30 CFEDMN Cc1ccc([C@@H](CNC(=O)CCCC#N)N2CCCC2)o1 ZINC000291750653 328266165 /nfs/dbraw/zinc/26/61/65/328266165.db2.gz STDVCDWFELEHDJ-CQSZACIVSA-N 0 1 289.379 2.535 20 30 CFEDMN COc1ccc2c(c1)CN([C@H]1CC[C@@H](C#N)C1)CC2 ZINC000293563183 328276869 /nfs/dbraw/zinc/27/68/69/328276869.db2.gz SEAPHZRNLSHRPY-DOMZBBRYSA-N 0 1 256.349 2.746 20 30 CFEDMN COc1c(C)cnc(CN(C)[C@@H]2CC[C@@H](C#N)C2)c1C ZINC000295056336 328284545 /nfs/dbraw/zinc/28/45/45/328284545.db2.gz BKYKZFUTCVTKKI-ZIAGYGMSSA-N 0 1 273.380 2.831 20 30 CFEDMN C=C(C)CN1CC[C@@H]1CN(C)C(=O)c1cscc1C ZINC001085531316 782088090 /nfs/dbraw/zinc/08/80/90/782088090.db2.gz QCQCBWIFSRIGQH-CYBMUJFWSA-N 0 1 278.421 2.779 20 30 CFEDMN Cc1n[nH]c(C(C)C)c1C(=O)N(C)Cc1cccc(C#N)c1 ZINC000159788044 322328051 /nfs/dbraw/zinc/32/80/51/322328051.db2.gz KETQUWZHVNYZKU-UHFFFAOYSA-N 0 1 296.374 2.985 20 30 CFEDMN C=CCCCN(C)[C@@H](C)C(=O)Nc1ccc(Cl)cn1 ZINC000121043692 328364999 /nfs/dbraw/zinc/36/49/99/328364999.db2.gz NJVTZPYARREXQS-NSHDSACASA-N 0 1 281.787 2.960 20 30 CFEDMN CCCNc1ccc(C#N)cc1NC(=O)c1cncc(O)c1 ZINC000175789949 323668270 /nfs/dbraw/zinc/66/82/70/323668270.db2.gz WPDPVVYOWDDWPY-UHFFFAOYSA-N 0 1 296.330 2.733 20 30 CFEDMN CNC(=O)c1cccc(CN[C@@H](C)c2cccc(C#N)c2)c1 ZINC000181992166 323838157 /nfs/dbraw/zinc/83/81/57/323838157.db2.gz WIYZPWOLUWZIKQ-ZDUSSCGKSA-N 0 1 293.370 2.769 20 30 CFEDMN CC(=Cc1cccs1)c1nc(C)c(C#N)c(=O)[nH]1 ZINC000193609955 324074214 /nfs/dbraw/zinc/07/42/14/324074214.db2.gz XBDFYUDVJMIXNF-VURMDHGXSA-N 0 1 257.318 2.572 20 30 CFEDMN Cc1cccc(CNCc2ccc(C#N)c(C)c2)n1 ZINC000581349319 325112572 /nfs/dbraw/zinc/11/25/72/325112572.db2.gz KGUJRZVMKYAKAZ-UHFFFAOYSA-N 0 1 251.333 2.860 20 30 CFEDMN CC(C)[C@@](C)(C#N)NC(=O)[C@H](C)N1CCC(C)(C)CC1 ZINC000407994326 326917734 /nfs/dbraw/zinc/91/77/34/326917734.db2.gz BKPUJIAQCJHDOE-XJKSGUPXSA-N 0 1 279.428 2.551 20 30 CFEDMN CC[C@@H]1C[N@H+](C)CCN1CCCCC(C)(C)C#N ZINC000577099195 327078267 /nfs/dbraw/zinc/07/82/67/327078267.db2.gz ACBORPDSQYKODU-CQSZACIVSA-N 0 1 251.418 2.732 20 30 CFEDMN C=CCOCC[N@@H+](CC(=O)[O-])[C@H](CC)c1ccccc1 ZINC000565962658 327099218 /nfs/dbraw/zinc/09/92/18/327099218.db2.gz XVYVPNWCZDUQFM-OAHLLOKOSA-N 0 1 277.364 2.727 20 30 CFEDMN N#CCC[C@H](C#N)CN[C@H]1C[C@@H]1c1cccc(F)c1 ZINC000558506457 327099529 /nfs/dbraw/zinc/09/95/29/327099529.db2.gz TWANNVDQFAWKJK-DFBGVHRSSA-N 0 1 257.312 2.715 20 30 CFEDMN C=C(C)CCNC(=O)c1cccc(Br)c1O ZINC000560333915 327300184 /nfs/dbraw/zinc/30/01/84/327300184.db2.gz XRRCSAPFNLGDIQ-UHFFFAOYSA-N 0 1 284.153 2.851 20 30 CFEDMN N#CCC[C@@H](C#N)CNCC1(c2ccccn2)CCC1 ZINC000560446444 327308924 /nfs/dbraw/zinc/30/89/24/327308924.db2.gz SAOMVIRZIBKQMC-AWEZNQCLSA-N 0 1 268.364 2.536 20 30 CFEDMN C=CCN(CCc1ccco1)Cc1ccc(C#N)cn1 ZINC000569618348 327331417 /nfs/dbraw/zinc/33/14/17/327331417.db2.gz GEZFURKRDRIVMH-UHFFFAOYSA-N 0 1 267.332 2.777 20 30 CFEDMN C=CCCCCN[C@H](C)c1nnnn1-c1ccccc1 ZINC000564509270 327364563 /nfs/dbraw/zinc/36/45/63/327364563.db2.gz OJYGAUDQORCHNU-CYBMUJFWSA-N 0 1 271.368 2.669 20 30 CFEDMN CN(CCCC(C)(C)C#N)CC(=O)Nc1ccccc1 ZINC000174819472 329159780 /nfs/dbraw/zinc/15/97/80/329159780.db2.gz DBOYDYRGGYERRI-UHFFFAOYSA-N 0 1 273.380 2.887 20 30 CFEDMN CN1CC[C@@H](NC(=O)C2(C#N)CCCC2)[C@@H]1c1ccccc1 ZINC000180173460 329218356 /nfs/dbraw/zinc/21/83/56/329218356.db2.gz RNWZVDBGUYFTSC-CVEARBPZSA-N 0 1 297.402 2.632 20 30 CFEDMN C=C(C)CN(C)[C@H](C)C(=O)N1[C@H](C)CCC[C@@H]1C ZINC000181264751 329228518 /nfs/dbraw/zinc/22/85/18/329228518.db2.gz DTCPRMLSZBVDBG-HZSPNIEDSA-N 0 1 252.402 2.672 20 30 CFEDMN C=C(C)C[N@H+](C)[C@H](C)C(=O)N[C@@H]1CCC[C@H](C)[C@H]1C ZINC000181274991 329228642 /nfs/dbraw/zinc/22/86/42/329228642.db2.gz ABOCKCCGCINFEL-GBJTYRQASA-N 0 1 266.429 2.824 20 30 CFEDMN C=C(C)CN(C)[C@H](C)C(=O)N[C@@H]1CCC[C@H](C)[C@H]1C ZINC000181274991 329228644 /nfs/dbraw/zinc/22/86/44/329228644.db2.gz ABOCKCCGCINFEL-GBJTYRQASA-N 0 1 266.429 2.824 20 30 CFEDMN C=CCNC(=O)CN[C@@H](C)c1ccc(-c2cccnc2)cc1 ZINC000181294575 329230410 /nfs/dbraw/zinc/23/04/10/329230410.db2.gz WRYWKAKUDRYHCQ-AWEZNQCLSA-N 0 1 295.386 2.701 20 30 CFEDMN C=C(C)CN(C)[C@@H](C)C(=O)N(C)C1(C#N)CCC(C)CC1 ZINC000181313874 329231067 /nfs/dbraw/zinc/23/10/67/329231067.db2.gz QEAKNZCZAWPDNX-CKDBGZEDSA-N 0 1 291.439 2.814 20 30 CFEDMN C=C(C)CN(C)Cc1ccc(Br)cn1 ZINC000181323154 329231626 /nfs/dbraw/zinc/23/16/26/329231626.db2.gz FYSYZAQJEYSZNC-UHFFFAOYSA-N 0 1 255.159 2.852 20 30 CFEDMN C[C@@H]1CCC[C@@H](CO)N1CC#Cc1ccc(Cl)cc1 ZINC000181388105 329232605 /nfs/dbraw/zinc/23/26/05/329232605.db2.gz HHHVDLZJTZLDPS-CJNGLKHVSA-N 0 1 277.795 2.927 20 30 CFEDMN CCCn1cc(C([O-])=C(C#N)c2nc3ccccc3[nH]2)cn1 ZINC000181490454 329233579 /nfs/dbraw/zinc/23/35/79/329233579.db2.gz LOWGCVSJMMJMSU-LBPRGKRZSA-N 0 1 293.330 2.659 20 30 CFEDMN CCCn1cc(C(=O)C(C#N)c2nc3ccccc3[nH]2)cn1 ZINC000181490454 329233580 /nfs/dbraw/zinc/23/35/80/329233580.db2.gz LOWGCVSJMMJMSU-LBPRGKRZSA-N 0 1 293.330 2.659 20 30 CFEDMN CC(C)(C#N)c1ccccc1CN1CCCC[C@]1(C)C(N)=O ZINC000185969847 329337565 /nfs/dbraw/zinc/33/75/65/329337565.db2.gz RVYUDFKRGBZBHL-GOSISDBHSA-N 0 1 299.418 2.718 20 30 CFEDMN C=CCC1(C(=O)N2CCN(C3CCCC3)CC2)CCC1 ZINC000188070325 329364066 /nfs/dbraw/zinc/36/40/66/329364066.db2.gz ZXDLBLRFCHDZCJ-UHFFFAOYSA-N 0 1 276.424 2.820 20 30 CFEDMN N#CC1CCN(CCCc2nc(-c3ccccc3)no2)CC1 ZINC000057906263 329678268 /nfs/dbraw/zinc/67/82/68/329678268.db2.gz GAJUDBMIMSDZDX-UHFFFAOYSA-N 0 1 296.374 2.905 20 30 CFEDMN C#CCOc1ccccc1CNCc1ccc2c(c1)CCO2 ZINC000263645262 330060322 /nfs/dbraw/zinc/06/03/22/330060322.db2.gz BLJWTGBFVJMZFJ-UHFFFAOYSA-N 0 1 293.366 2.923 20 30 CFEDMN C=C(C)CN1CCC([NH2+]Cc2ccncc2Cl)CC1 ZINC000527656256 330273154 /nfs/dbraw/zinc/27/31/54/330273154.db2.gz FXENRVGELZIVTN-UHFFFAOYSA-N 0 1 279.815 2.865 20 30 CFEDMN C=C(C)COCCNCc1c(F)cc(C)cc1F ZINC000424141556 330282812 /nfs/dbraw/zinc/28/28/12/330282812.db2.gz GOEFXVGQTXXRDO-UHFFFAOYSA-N 0 1 255.308 2.956 20 30 CFEDMN C=C[C@@H]1OCC[C@H]1N=c1nc(-c2ccccc2C)[nH]s1 ZINC000528026644 330305012 /nfs/dbraw/zinc/30/50/12/330305012.db2.gz GZFVDWNBXGETTQ-OLZOCXBDSA-N 0 1 287.388 2.691 20 30 CFEDMN C=CCn1cc(CN[C@H](C)Cc2coc3ccccc23)nn1 ZINC000424292078 330334991 /nfs/dbraw/zinc/33/49/91/330334991.db2.gz GBKUHYCLWCOBCG-CYBMUJFWSA-N 0 1 296.374 2.931 20 30 CFEDMN C=C[C@@H]1OCC[C@H]1CN[C@H](c1ncc[nH]1)c1ccccc1 ZINC000424298466 330336556 /nfs/dbraw/zinc/33/65/56/330336556.db2.gz SJZOKGSNBDLYHK-JYJNAYRXSA-N 0 1 283.375 2.680 20 30 CFEDMN C=CCOc1cccc(C[N@@H+]2CCC[C@H](C)[C@H]2C(=O)[O-])c1 ZINC000424411449 330350389 /nfs/dbraw/zinc/35/03/89/330350389.db2.gz BCXGRHPMSNFYHK-BBRMVZONSA-N 0 1 289.375 2.937 20 30 CFEDMN C=C(C)C(C)(C)C(=O)NCCN1CCc2ccccc2C1 ZINC000424574558 330384901 /nfs/dbraw/zinc/38/49/01/330384901.db2.gz QMCJBEQLYBRSNR-UHFFFAOYSA-N 0 1 286.419 2.763 20 30 CFEDMN C=C[C@@H]1OCC[C@H]1NCc1sccc1Br ZINC000449520173 330933327 /nfs/dbraw/zinc/93/33/27/330933327.db2.gz ONBAYVYJWOXEFN-ZJUUUORDSA-N 0 1 288.210 2.944 20 30 CFEDMN C[C@H](c1ccccc1)[C@@H](O)CN(C)CC(C)(C)C#N ZINC000451067178 331014687 /nfs/dbraw/zinc/01/46/87/331014687.db2.gz WOFWJKZTHGMIBN-HIFRSBDPSA-N 0 1 260.381 2.633 20 30 CFEDMN CC(C)(C#N)CCN1C[C@@H](c2ccccc2)[C@](F)(CO)C1 ZINC000451288078 331023274 /nfs/dbraw/zinc/02/32/74/331023274.db2.gz VLMJMPZIJHFJPN-DOTOQJQBSA-N 0 1 290.382 2.726 20 30 CFEDMN N#CCC[C@H](C#N)CN1CCC[C@@]2(CCSC2)C1 ZINC000451956454 331048298 /nfs/dbraw/zinc/04/82/98/331048298.db2.gz CWDGPGWULKNTOX-ZIAGYGMSSA-N 0 1 263.410 2.649 20 30 CFEDMN C=C(C)CCNC(=O)[C@H]1CCCN1Cc1ccccc1 ZINC000452725761 331074354 /nfs/dbraw/zinc/07/43/54/331074354.db2.gz SZOGOGNDONJARF-MRXNPFEDSA-N 0 1 272.392 2.733 20 30 CFEDMN C=CC[C@H](CO)N[C@@H](C)c1ncc(-c2ccccc2)n1C ZINC000453188855 331099072 /nfs/dbraw/zinc/09/90/72/331099072.db2.gz AGGOWAAENGHMON-DZGCQCFKSA-N 0 1 285.391 2.675 20 30 CFEDMN C=CCC1(NC(=O)c2ccc3[nH]nnc3c2)CCCCC1 ZINC000456388209 331191998 /nfs/dbraw/zinc/19/19/98/331191998.db2.gz VZKKMXSWOCZYSZ-UHFFFAOYSA-N 0 1 284.363 2.967 20 30 CFEDMN C=CCC1(CNC(=O)Cc2cc(C)n[nH]2)CCCC1 ZINC000456482295 331193541 /nfs/dbraw/zinc/19/35/41/331193541.db2.gz DTDSFVNGZNCEAJ-UHFFFAOYSA-N 0 1 261.369 2.513 20 30 CFEDMN C=CCC1(CNC(=O)CN(C)[C@@H]2CCSC2)CCCC1 ZINC000456490074 331194060 /nfs/dbraw/zinc/19/40/60/331194060.db2.gz WIOKNLFADPRBCC-CQSZACIVSA-N 0 1 296.480 2.676 20 30 CFEDMN C=C(C)C[C@@H](C)C(=O)NC[C@@H](c1nc[nH]n1)c1ccccc1 ZINC000456686205 331198876 /nfs/dbraw/zinc/19/88/76/331198876.db2.gz IRKCBNLESXPPPW-UKRRQHHQSA-N 0 1 298.390 2.655 20 30 CFEDMN N#C[C@@H]1CCC[C@H]1NCCC(=O)N1CCCc2ccccc21 ZINC000459452917 331281956 /nfs/dbraw/zinc/28/19/56/331281956.db2.gz BWNCDUWALYJHTG-JKSUJKDBSA-N 0 1 297.402 2.638 20 30 CFEDMN N#CC1(F)CCN([C@H]2CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000459460695 331282656 /nfs/dbraw/zinc/28/26/56/331282656.db2.gz JDTSKRMDVVFOAG-INIZCTEOSA-N 0 1 287.382 2.589 20 30 CFEDMN C=C(C)Cn1c(COCC)n[n-]c1=[NH+]c1ccccc1C ZINC000460964218 331309564 /nfs/dbraw/zinc/30/95/64/331309564.db2.gz SCUZRCYIMAZDQV-UHFFFAOYSA-N 0 1 286.379 2.865 20 30 CFEDMN C=C[C@@H]1CCCCN1CC(=O)NCCc1ccc(F)cc1 ZINC000489440658 332052870 /nfs/dbraw/zinc/05/28/70/332052870.db2.gz BZDNIFZDTXZNNK-MRXNPFEDSA-N 0 1 290.382 2.525 20 30 CFEDMN C=C[C@H]1CCCCN1CC(=O)N(C)[C@H](C)CC(C)C ZINC000489470405 332054698 /nfs/dbraw/zinc/05/46/98/332054698.db2.gz CIAFCRMXUWAGBV-CABCVRRESA-N 0 1 266.429 2.920 20 30 CFEDMN C=C[C@H]1CCCCN1CC(=O)N(CCC)CCC ZINC000489512153 332057545 /nfs/dbraw/zinc/05/75/45/332057545.db2.gz OCCQKRLTOLREFB-AWEZNQCLSA-N 0 1 252.402 2.676 20 30 CFEDMN C#CCN1CCC(C(=O)N(C)C2CCC(CC)CC2)CC1 ZINC000490574406 332092668 /nfs/dbraw/zinc/09/26/68/332092668.db2.gz UVZFEHIDEYXGMQ-UHFFFAOYSA-N 0 1 290.451 2.759 20 30 CFEDMN C#CCN1CCC(C(=O)N2CCC[C@H](C(C)(C)C)C2)CC1 ZINC000490720408 332109036 /nfs/dbraw/zinc/10/90/36/332109036.db2.gz RFWOIQFNHSHJKT-INIZCTEOSA-N 0 1 290.451 2.616 20 30 CFEDMN C#CCN(CC#N)C(=O)c1cc(Cl)c2ccccc2c1O ZINC000490986051 332136276 /nfs/dbraw/zinc/13/62/76/332136276.db2.gz QACOSWYFABNXNO-UHFFFAOYSA-N 0 1 298.729 2.798 20 30 CFEDMN C#CCN1CCC(C(=O)OCc2cccc(Cl)c2)CC1 ZINC000491070230 332145829 /nfs/dbraw/zinc/14/58/29/332145829.db2.gz AAWMZOFAQSGUNB-UHFFFAOYSA-N 0 1 291.778 2.728 20 30 CFEDMN C#CCN(C(=O)c1ccc2cncn2c1)C1CCCCC1 ZINC000491072520 332146807 /nfs/dbraw/zinc/14/68/07/332146807.db2.gz SJCDWHJQGHIFAY-UHFFFAOYSA-N 0 1 281.359 2.742 20 30 CFEDMN C#CCN(C)C(=O)Nc1ccc2nc(C(F)F)[nH]c2c1 ZINC000491099884 332149684 /nfs/dbraw/zinc/14/96/84/332149684.db2.gz DPBVLIKHIJUFSG-UHFFFAOYSA-N 0 1 278.262 2.597 20 30 CFEDMN C#C[C@@H](CC)NCc1conc1Cc1ccccc1 ZINC000491180457 332161373 /nfs/dbraw/zinc/16/13/73/332161373.db2.gz LXOYPMZDDISRJF-HNNXBMFYSA-N 0 1 254.333 2.767 20 30 CFEDMN C#C[C@H](CC)NCc1cnc(NC(=O)OC(C)(C)C)s1 ZINC000491230895 332170679 /nfs/dbraw/zinc/17/06/79/332170679.db2.gz PRYJWRNIHSEDEC-SNVBAGLBSA-N 0 1 295.408 2.992 20 30 CFEDMN C#C[C@@H](NC(=O)NCc1nc2cccc(C)c2[nH]1)C(C)(C)C ZINC000491522973 332228664 /nfs/dbraw/zinc/22/86/64/332228664.db2.gz APUDGOIMGXVQJY-CYBMUJFWSA-N 0 1 298.390 2.718 20 30 CFEDMN C#C[C@H](CC)NCc1cn2ccc(Br)cc2n1 ZINC000491523803 332229453 /nfs/dbraw/zinc/22/94/53/332229453.db2.gz HKFSWAMFWWJYPD-LLVKDONJSA-N 0 1 292.180 2.598 20 30 CFEDMN C#CCN(Cc1cc(Cl)c(OC)c(OC)c1)C1CC1 ZINC000491737650 332317294 /nfs/dbraw/zinc/31/72/94/332317294.db2.gz VPOPKKYZSKZKJB-UHFFFAOYSA-N 0 1 279.767 2.955 20 30 CFEDMN C#C[C@H](C)N(C)C(=O)c1cc(-c2ccc(C)cc2C)[nH]n1 ZINC000491741946 332320813 /nfs/dbraw/zinc/32/08/13/332320813.db2.gz SBNVKUKSKCGDAI-ZDUSSCGKSA-N 0 1 281.359 2.787 20 30 CFEDMN CC(C)C[C@H](CNC[C@@H](C)C#N)NC(=O)OC(C)(C)C ZINC000496219066 332542778 /nfs/dbraw/zinc/54/27/78/332542778.db2.gz WSMGXKAONDYPAA-QWHCGFSZSA-N 0 1 283.416 2.675 20 30 CFEDMN C=CCCCN1CCN([C@@H](C)C(F)(F)F)CC1 ZINC000178249107 333069830 /nfs/dbraw/zinc/06/98/30/333069830.db2.gz AZUHLNKUFKELDF-NSHDSACASA-N 0 1 250.308 2.521 20 30 CFEDMN CC[C@H](CC#N)NCCC(=O)N1CCCc2ccccc21 ZINC000517390598 333098591 /nfs/dbraw/zinc/09/85/91/333098591.db2.gz GGADDRFVHDOINK-OAHLLOKOSA-N 0 1 285.391 2.638 20 30 CFEDMN CC[C@@H](CC#N)NCCC(=O)N1CCCc2ccccc21 ZINC000517390597 333098617 /nfs/dbraw/zinc/09/86/17/333098617.db2.gz GGADDRFVHDOINK-HNNXBMFYSA-N 0 1 285.391 2.638 20 30 CFEDMN N#CC1(CN2CCC[C@@H](C(=O)Nc3ccccc3)C2)CC1 ZINC000521289342 333117124 /nfs/dbraw/zinc/11/71/24/333117124.db2.gz FKAOQPAYTFRWSB-CQSZACIVSA-N 0 1 283.375 2.641 20 30 CFEDMN N#CC1(CN2CCC[C@H](C(=O)Nc3ccccc3)C2)CC1 ZINC000521289336 333117170 /nfs/dbraw/zinc/11/71/70/333117170.db2.gz FKAOQPAYTFRWSB-AWEZNQCLSA-N 0 1 283.375 2.641 20 30 CFEDMN C=CC[N@H+](CCOC)C[C@@H](C)c1ccc(OC)cc1 ZINC000191758950 333224730 /nfs/dbraw/zinc/22/47/30/333224730.db2.gz MMKJCUUYRQLKIE-CQSZACIVSA-N 0 1 263.381 2.933 20 30 CFEDMN C=CCCCCC[N@H+](CC)C[C@@H](O)C(F)(F)F ZINC000193565800 333253348 /nfs/dbraw/zinc/25/33/48/333253348.db2.gz OQBRBCPSLYMNAQ-LLVKDONJSA-N 0 1 253.308 2.978 20 30 CFEDMN CC#CCCSc1nc(Cc2ccccc2)n[nH]1 ZINC000194608351 333272999 /nfs/dbraw/zinc/27/29/99/333272999.db2.gz JMVZODZIXSPKDR-UHFFFAOYSA-N 0 1 257.362 2.901 20 30 CFEDMN CC(C)(C#N)CCCCN1CCN(c2ccccn2)CC1 ZINC000232531211 333338232 /nfs/dbraw/zinc/33/82/32/333338232.db2.gz BGLRQUWJJSDZEB-UHFFFAOYSA-N 0 1 286.423 2.924 20 30 CFEDMN C=CCOc1ccc(CN[C@@H](C)C(=O)NC(C)(C)C)cc1 ZINC000067502624 333638465 /nfs/dbraw/zinc/63/84/65/333638465.db2.gz IEBKNORWCJWAOG-ZDUSSCGKSA-N 0 1 290.407 2.644 20 30 CFEDMN CCOc1cc(CCCNCCC#N)ccc1OC ZINC000576101469 335153821 /nfs/dbraw/zinc/15/38/21/335153821.db2.gz VFCYNQMBBYCWSR-UHFFFAOYSA-N 0 1 262.353 2.530 20 30 CFEDMN CC[C@@H](CC#N)NC[C@H](O)COc1cccc2ccccc21 ZINC000564341515 334140865 /nfs/dbraw/zinc/14/08/65/334140865.db2.gz CHVLZMMUHBFTIV-HOTGVXAUSA-N 0 1 298.386 2.861 20 30 CFEDMN C=CCOCCCN1CCc2c(cccc2[N+](=O)[O-])C1 ZINC000548423743 334155307 /nfs/dbraw/zinc/15/53/07/334155307.db2.gz PBDCOKRPEVCFQI-UHFFFAOYSA-N 0 1 276.336 2.546 20 30 CFEDMN C=C(C)CN(CC)CC(=O)NCCO[C@H]1CCCC[C@H]1C ZINC000246759196 334269105 /nfs/dbraw/zinc/26/91/05/334269105.db2.gz NIUJKRVEMRNGLM-CVEARBPZSA-N 0 1 296.455 2.596 20 30 CFEDMN C[C@H](CC#N)N(C)C[C@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC000247564472 334285785 /nfs/dbraw/zinc/28/57/85/334285785.db2.gz LAPLQWCDDBQUKG-ZIAGYGMSSA-N 0 1 295.427 2.867 20 30 CFEDMN C[C@H]1CCN(Cc2ccccc2C(C)(C)C#N)[C@@H](C(N)=O)C1 ZINC000249553287 334336380 /nfs/dbraw/zinc/33/63/80/334336380.db2.gz IUBKXBSHKMADCF-XJKSGUPXSA-N 0 1 299.418 2.574 20 30 CFEDMN CC[C@@H]1CO[C@@H](C)CN1Cc1ccc(CC#N)cc1 ZINC000342688632 335185693 /nfs/dbraw/zinc/18/56/93/335185693.db2.gz BNUCIUPXKVKJQQ-XJKSGUPXSA-N 0 1 258.365 2.752 20 30 CFEDMN Cn1cc([C@H](N[C@@H]2CC[C@H](C#N)C2)c2cccc(F)c2)cn1 ZINC000577274325 335333303 /nfs/dbraw/zinc/33/33/03/335333303.db2.gz BTUQPQJGDRXYOP-JCURWCKSSA-N 0 1 298.365 2.930 20 30 CFEDMN C=CCC[N@H+](CCC(=O)[O-])Cc1ccc(F)c(F)c1 ZINC000577760839 335398514 /nfs/dbraw/zinc/39/85/14/335398514.db2.gz ULMGAGDVVNTCNK-UHFFFAOYSA-N 0 1 269.291 2.818 20 30 CFEDMN C=CCCOCCNCc1nc(-c2ccccc2)c[nH]1 ZINC000194398237 336019691 /nfs/dbraw/zinc/01/96/91/336019691.db2.gz HWGUFOLJSCBXAV-UHFFFAOYSA-N 0 1 271.364 2.759 20 30 CFEDMN C=CCN1CC[C@@H]1CN(C)C(=O)C1=CCCCCC1 ZINC001085563351 782101206 /nfs/dbraw/zinc/10/12/06/782101206.db2.gz LCRHGEDGPPVYFU-OAHLLOKOSA-N 0 1 262.397 2.596 20 30 CFEDMN C#CCCN1CC[C@@H]1CN(C)C(=O)[C@@H]1CCCC2(CC2)C1 ZINC001085594158 782110102 /nfs/dbraw/zinc/11/01/02/782110102.db2.gz AHAOVQOKSMIRDP-HZPDHXFCSA-N 0 1 288.435 2.513 20 30 CFEDMN C=CCCN1CC[C@@H]1CN(C)C(=O)c1cc2cnccc2o1 ZINC001085700000 782137235 /nfs/dbraw/zinc/13/72/35/782137235.db2.gz BNYIFWQMEBJUAO-CQSZACIVSA-N 0 1 299.374 2.550 20 30 CFEDMN C#CCCN1CC[C@H]1CN(C)C(=O)c1ccccc1CCC ZINC001085713777 782141379 /nfs/dbraw/zinc/14/13/79/782141379.db2.gz SKBHHITYKPDNEC-KRWDZBQOSA-N 0 1 298.430 2.809 20 30 CFEDMN COc1ncc(-c2ccc(O)c(F)c2F)cc1C#N ZINC001243343308 782149854 /nfs/dbraw/zinc/14/98/54/782149854.db2.gz ZSXKRYRPOWBINM-UHFFFAOYSA-N 0 1 262.215 2.613 20 30 CFEDMN CCN(CCNc1ncccc1C#N)CCC(F)(F)F ZINC000491589615 535741585 /nfs/dbraw/zinc/74/15/85/535741585.db2.gz SJXMMFQEHPYNMD-UHFFFAOYSA-N 0 1 286.301 2.639 20 30 CFEDMN C=C(C)CN1CC[C@@H]1CN(C)C(=O)c1cc[nH]c1C(C)C ZINC001085778775 782160098 /nfs/dbraw/zinc/16/00/98/782160098.db2.gz HBEGAJFNWCYDQS-CQSZACIVSA-N 0 1 289.423 2.861 20 30 CFEDMN CCCOc1c(OC)cc(CCNCCC#N)cc1OC ZINC000566851056 517588349 /nfs/dbraw/zinc/58/83/49/517588349.db2.gz IYKYLTFUFFTXMH-UHFFFAOYSA-N 0 1 292.379 2.538 20 30 CFEDMN O=C(CCc1nc[nH]n1)Nc1cccc2c1CCCC2 ZINC000330236828 534337239 /nfs/dbraw/zinc/33/72/39/534337239.db2.gz UNVUMVOSYZYSCR-UHFFFAOYSA-N 0 1 270.336 2.904 20 30 CFEDMN C=C(C)CN1CC[C@H]1CN(C)C(=O)c1cc[nH]c1C1CC1 ZINC001085787222 782161289 /nfs/dbraw/zinc/16/12/89/782161289.db2.gz JBBSFWDUBDGMAW-AWEZNQCLSA-N 0 1 287.407 2.615 20 30 CFEDMN CC(C)n1cc(C#N)c(=NC(=O)[C@H]2CCCC2(C)C)[nH]1 ZINC000336085991 519931815 /nfs/dbraw/zinc/93/18/15/519931815.db2.gz RUKOWQGJYKPXEI-GFCCVEGCSA-N 0 1 274.368 2.522 20 30 CFEDMN Cc1nc(NC(=O)c2ccc(C#N)c(O)c2)sc1C ZINC000188251300 534482904 /nfs/dbraw/zinc/48/29/04/534482904.db2.gz NNIITWVZPBDRLF-UHFFFAOYSA-N 0 1 273.317 2.590 20 30 CFEDMN Cc1cnc(NC(=O)N2CCC(c3ccncc3)CC2)o1 ZINC000330235118 534567516 /nfs/dbraw/zinc/56/75/16/534567516.db2.gz GULUGHRNMVVISH-UHFFFAOYSA-N 0 1 286.335 2.803 20 30 CFEDMN CC[C@@H](C)n1nc(N=c2s[nH]c(C)c2C#N)cc1C ZINC000361045375 522451374 /nfs/dbraw/zinc/45/13/74/522451374.db2.gz XAVKGUKWSHOJSB-MRVPVSSYSA-N 0 1 275.381 2.965 20 30 CFEDMN CC[C@@H](O)[C@@H]1CCCCN1Cc1cccc(C#N)c1F ZINC000340926355 523011990 /nfs/dbraw/zinc/01/19/90/523011990.db2.gz SBMPPPHIUQBZRK-LSDHHAIUSA-N 0 1 276.355 2.823 20 30 CFEDMN CN(Cc1ccc(F)cc1C#N)C[C@H]1CCCC[C@@H]1O ZINC000305816741 523257423 /nfs/dbraw/zinc/25/74/23/523257423.db2.gz OSEARVCGMOALEF-CJNGLKHVSA-N 0 1 276.355 2.680 20 30 CFEDMN CC[C@@H]1CN(Cc2ccc(C#N)c(OC)c2)CCS1 ZINC000233957480 523452723 /nfs/dbraw/zinc/45/27/23/523452723.db2.gz ZSGSBDNNZFKFTM-CQSZACIVSA-N 0 1 276.405 2.894 20 30 CFEDMN COc1ccc(C#N)cc1CN1CCCOC(C)(C)C1 ZINC000312861342 523523426 /nfs/dbraw/zinc/52/34/26/523523426.db2.gz RXVLBXKRFGHUST-UHFFFAOYSA-N 0 1 274.364 2.568 20 30 CFEDMN N#CCc1cccc(C(=O)Nc2ccc3nc[nH]c3c2)c1 ZINC000352626395 534730496 /nfs/dbraw/zinc/73/04/96/534730496.db2.gz NHHNIQPSCRIFKL-UHFFFAOYSA-N 0 1 276.299 2.881 20 30 CFEDMN CO[C@@]1(C)CCCN(Cc2cc(C#N)ccc2F)C1 ZINC000230264957 523807368 /nfs/dbraw/zinc/80/73/68/523807368.db2.gz URRXJPYZVGKAEH-HNNXBMFYSA-N 0 1 262.328 2.698 20 30 CFEDMN CO[C@H]1CCN(Cc2ccc(C#N)c(F)c2)[C@@H](C)C1 ZINC000336401797 523996699 /nfs/dbraw/zinc/99/66/99/523996699.db2.gz REAHQVLRPJIWKW-FZMZJTMJSA-N 0 1 262.328 2.697 20 30 CFEDMN CO[C@H]1CCN(Cc2ccc(F)c(C#N)c2)C[C@H]1C ZINC000335166432 523997112 /nfs/dbraw/zinc/99/71/12/523997112.db2.gz APPXBEODKSJJDV-ABAIWWIYSA-N 0 1 262.328 2.554 20 30 CFEDMN CO[C@H]1CCN(Cc2ccc(C#N)c(F)c2)C[C@@H]1C ZINC000336257666 523997697 /nfs/dbraw/zinc/99/76/97/523997697.db2.gz QLVPLUYBOVXRSV-NHYWBVRUSA-N 0 1 262.328 2.554 20 30 CFEDMN Cc1cccc(CN(C)CCOc2ccccc2C#N)n1 ZINC000083798932 524376129 /nfs/dbraw/zinc/37/61/29/524376129.db2.gz QJUFRCHXVHYOMB-UHFFFAOYSA-N 0 1 281.359 2.773 20 30 CFEDMN C=CCC[C@@H](O)CN[C@@](C)(CC)c1nccs1 ZINC000268522998 534799696 /nfs/dbraw/zinc/79/96/96/534799696.db2.gz GGWVUPYPVVPIMS-YPMHNXCESA-N 0 1 254.399 2.685 20 30 CFEDMN C[C@@H](NCc1ccc(C#N)c(F)c1)c1cccnc1 ZINC000192148087 525518623 /nfs/dbraw/zinc/51/86/23/525518623.db2.gz NUGVYPAJCHFZQE-LLVKDONJSA-N 0 1 255.296 2.943 20 30 CFEDMN C[C@@H]1[C@H](O)CCCN1Cc1ccc(C#N)cc1Cl ZINC000336236519 525710874 /nfs/dbraw/zinc/71/08/74/525710874.db2.gz WMFGXGNCOHOMCS-QMTHXVAHSA-N 0 1 264.756 2.557 20 30 CFEDMN C[C@H](O)[C@H]1CCCCN1Cc1ccc(C#N)cc1Cl ZINC000336403495 525845801 /nfs/dbraw/zinc/84/58/01/525845801.db2.gz NKKIJNZLXZSHSV-XHDPSFHLSA-N 0 1 278.783 2.947 20 30 CFEDMN C[C@@H](O)[C@@H]1CCCCN1Cc1ccc(C#N)cc1Cl ZINC000336403492 525848951 /nfs/dbraw/zinc/84/89/51/525848951.db2.gz NKKIJNZLXZSHSV-ABAIWWIYSA-N 0 1 278.783 2.947 20 30 CFEDMN C[C@@]1(O)CCCN(Cc2ccc(C#N)cc2Cl)C1 ZINC000162937090 525882534 /nfs/dbraw/zinc/88/25/34/525882534.db2.gz DWAXANQYCZKCFP-CQSZACIVSA-N 0 1 264.756 2.558 20 30 CFEDMN Cc1cc(C#N)cc(NC(=O)[C@H]2CCCc3[nH]ncc32)c1 ZINC000335120303 526185237 /nfs/dbraw/zinc/18/52/37/526185237.db2.gz VZRCSKBGKRGSEZ-ZDUSSCGKSA-N 0 1 280.331 2.648 20 30 CFEDMN N#Cc1c(F)cccc1CN1CC[C@@H]([C@@H]2CCOC2)C1 ZINC000336110263 526523452 /nfs/dbraw/zinc/52/34/52/526523452.db2.gz CCQGUBIBWVTJAW-TZMCWYRMSA-N 0 1 274.339 2.556 20 30 CFEDMN C=C(C)CN(CCc1ccccn1)Cc1ccc(CO)o1 ZINC000352804706 526553318 /nfs/dbraw/zinc/55/33/18/526553318.db2.gz QEWCCKPYVANYTO-UHFFFAOYSA-N 0 1 286.375 2.788 20 30 CFEDMN N#Cc1cc(Cl)ccc1NCCN1CCSCC1 ZINC000226230268 526554117 /nfs/dbraw/zinc/55/41/17/526554117.db2.gz JMGRBFNCBCJXKH-UHFFFAOYSA-N 0 1 281.812 2.672 20 30 CFEDMN C=C(C)CN(Cc1ccc(CO)o1)C[C@H](O)CCC(C)C ZINC000352792816 526560780 /nfs/dbraw/zinc/56/07/80/526560780.db2.gz NRUSPQDRVMKQHT-OAHLLOKOSA-N 0 1 295.423 2.947 20 30 CFEDMN N#Cc1ccc(CN2CCCC[C@H]2C2(O)CC2)c(F)c1 ZINC000334790995 526612520 /nfs/dbraw/zinc/61/25/20/526612520.db2.gz CGLAXLOQMVKSAH-HNNXBMFYSA-N 0 1 274.339 2.577 20 30 CFEDMN N#Cc1ccc(CN2CCSC[C@H]2C2CCC2)o1 ZINC000334948017 526615333 /nfs/dbraw/zinc/61/53/33/526615333.db2.gz AIHVWKLHXXIQOP-AWEZNQCLSA-N 0 1 262.378 2.869 20 30 CFEDMN N#Cc1ccc(CN2CC[C@@H](O)[C@H](C3CCCC3)C2)o1 ZINC000334785939 526617308 /nfs/dbraw/zinc/61/73/08/526617308.db2.gz IUHRRVHJQAFUHT-JKSUJKDBSA-N 0 1 274.364 2.524 20 30 CFEDMN N#Cc1ccc(CNc2ccc3nn[nH]c3c2)c(F)c1 ZINC000339797145 526628284 /nfs/dbraw/zinc/62/82/84/526628284.db2.gz GZNRHTYUCZDLHP-UHFFFAOYSA-N 0 1 267.267 2.581 20 30 CFEDMN N#Cc1ccc(CNc2ccc3n[nH]nc3c2)c(F)c1 ZINC000339797145 526628289 /nfs/dbraw/zinc/62/82/89/526628289.db2.gz GZNRHTYUCZDLHP-UHFFFAOYSA-N 0 1 267.267 2.581 20 30 CFEDMN N#Cc1ccc(F)c(CN2CCCC[C@@H]2C2(O)CC2)c1 ZINC000334793272 526638287 /nfs/dbraw/zinc/63/82/87/526638287.db2.gz XODWDUVKBKWCRE-OAHLLOKOSA-N 0 1 274.339 2.577 20 30 CFEDMN N#Cc1ccc(OCCN2CCOC3(CCCC3)C2)cc1 ZINC000158007184 526674811 /nfs/dbraw/zinc/67/48/11/526674811.db2.gz SLPSKPRDCPUWBM-UHFFFAOYSA-N 0 1 286.375 2.582 20 30 CFEDMN N#Cc1csc(CN[C@@H](c2nnc[nH]2)c2ccccc2)c1 ZINC000361163745 526783360 /nfs/dbraw/zinc/78/33/60/526783360.db2.gz BYRLIVLRTDWMQY-CQSZACIVSA-N 0 1 295.371 2.617 20 30 CFEDMN CC(C)(C)c1nc(CNc2ccc(C#N)cc2)n[nH]1 ZINC000413420984 526847580 /nfs/dbraw/zinc/84/75/80/526847580.db2.gz PYTDFKCBUNCNNU-UHFFFAOYSA-N 0 1 255.325 2.586 20 30 CFEDMN C=CC[C@@H](CC)NC(=O)C1(N(C)C)Cc2ccccc2C1 ZINC000367162483 527037920 /nfs/dbraw/zinc/03/79/20/527037920.db2.gz BSWGIBFTVKSFHI-MRXNPFEDSA-N 0 1 286.419 2.557 20 30 CFEDMN C=CCCCCNC(=O)c1[nH]nc2c1CCCCC2 ZINC000353521013 527168417 /nfs/dbraw/zinc/16/84/17/527168417.db2.gz XEHSTXSJVFZEQU-UHFFFAOYSA-N 0 1 261.369 2.765 20 30 CFEDMN Cn1cc(CN2CC[C@H](Oc3cccc(F)c3)C2)cc1C#N ZINC000191474610 527206571 /nfs/dbraw/zinc/20/65/71/527206571.db2.gz XJLAHACJAKUMMJ-KRWDZBQOSA-N 0 1 299.349 2.689 20 30 CFEDMN C=CCCCNC(=O)[C@H](CC)N(C)Cc1ccccc1 ZINC000356051614 527225227 /nfs/dbraw/zinc/22/52/27/527225227.db2.gz IHQFGTZABIGAPP-INIZCTEOSA-N 0 1 274.408 2.979 20 30 CFEDMN C=CCCOCCNCc1nc2ccc(OC)cc2s1 ZINC000353206515 527366791 /nfs/dbraw/zinc/36/67/91/527366791.db2.gz GYBYTOCGXFCZKX-UHFFFAOYSA-N 0 1 292.404 2.987 20 30 CFEDMN C=CCCO[C@H](C)C(=O)Nc1nc2ccc(C)cc2[nH]1 ZINC000344483065 527403720 /nfs/dbraw/zinc/40/37/20/527403720.db2.gz LNHMPBIAMCRCPM-LLVKDONJSA-N 0 1 273.336 2.791 20 30 CFEDMN C=C[C@H](CO)NCc1ccc(-c2c(F)cccc2F)o1 ZINC000352482233 527592812 /nfs/dbraw/zinc/59/28/12/527592812.db2.gz SOLCYQNSZDHEAB-SNVBAGLBSA-N 0 1 279.286 2.861 20 30 CFEDMN CCC1CCN(C(=O)N[C@@H]2CCCc3cn[nH]c32)CC1 ZINC000330158849 527863319 /nfs/dbraw/zinc/86/33/19/527863319.db2.gz ZZCHWWFRRBCWSY-CYBMUJFWSA-N 0 1 276.384 2.823 20 30 CFEDMN CC(C)c1nc([C@H](C)Nc2ncc(C#N)cc2F)n[nH]1 ZINC000413214556 528314477 /nfs/dbraw/zinc/31/44/77/528314477.db2.gz MEUDMHBVWUJDIH-QMMMGPOBSA-N 0 1 274.303 2.507 20 30 CFEDMN CCN(CCCN(CC)CC(F)(F)F)C[C@H](C)C#N ZINC000347296197 528444495 /nfs/dbraw/zinc/44/44/95/528444495.db2.gz CUGKLHHHOWOAKT-GFCCVEGCSA-N 0 1 279.350 2.742 20 30 CFEDMN CC(C)C[C@H](N)c1noc(Cc2c(F)cccc2C#N)n1 ZINC000414614113 528557327 /nfs/dbraw/zinc/55/73/27/528557327.db2.gz GNNZQXKNFQSPAO-ZDUSSCGKSA-N 0 1 288.326 2.717 20 30 CFEDMN CCOC(=O)C[C@H](C)N(C)CC#Cc1ccccc1Cl ZINC000343598809 528894349 /nfs/dbraw/zinc/89/43/49/528894349.db2.gz CZADFGIBUXVUQX-ZDUSSCGKSA-N 0 1 293.794 2.965 20 30 CFEDMN CC1(C)CCCN(C(=O)c2cccc3c[nH]nc32)[C@@H]1C#N ZINC000336171966 528930797 /nfs/dbraw/zinc/93/07/97/528930797.db2.gz NSDLFTLZMJIYJF-CYBMUJFWSA-N 0 1 282.347 2.717 20 30 CFEDMN CC(C)N1CCC[C@@H](NC(=O)c2snnc2C2CC2)C1 ZINC000330122844 529008966 /nfs/dbraw/zinc/00/89/66/529008966.db2.gz AJWBUQWWWBARCA-LLVKDONJSA-N 0 1 294.424 2.593 20 30 CFEDMN CC[C@H](C)c1nc([C@@H](C)NC(=O)[C@H]2CCCO2)n[nH]1 ZINC000330187671 529276091 /nfs/dbraw/zinc/27/60/91/529276091.db2.gz KOQINARLNNNYAT-IVZWLZJFSA-N 0 1 266.345 2.515 20 30 CFEDMN CC[C@](C)(C#N)C(=O)N1CCN(CC2CCCCC2)CC1 ZINC000351642445 529347318 /nfs/dbraw/zinc/34/73/18/529347318.db2.gz VBESYWMEUVASKP-QGZVFWFLSA-N 0 1 291.439 2.651 20 30 CFEDMN N#Cc1ccc(O)c(NC(=O)[C@]23CCO[C@H]2CCCC3)c1 ZINC000935107535 649876340 /nfs/dbraw/zinc/87/63/40/649876340.db2.gz IFNLRTBISFMFNO-GOEBONIOSA-N 0 1 286.331 2.552 20 30 CFEDMN C=C[C@@H](CC)CC(=O)N1CCN(CCOC)[C@@H](CCC)C1 ZINC000935172573 649882244 /nfs/dbraw/zinc/88/22/44/649882244.db2.gz VIVQDWCTPSBXKL-HOTGVXAUSA-N 0 1 296.455 2.548 20 30 CFEDMN Cc1cc([C@H](C#N)C(=O)[C@H](C)c2ccco2)nc(C)n1 ZINC000744026735 574049644 /nfs/dbraw/zinc/04/96/44/574049644.db2.gz VMDHPNMZMCHRPA-PWSUYJOCSA-N 0 1 269.304 2.666 20 30 CFEDMN CC(=NNC1=N[C@@H]2CCCC[C@@H]2N1)c1cc(C)cc(C)c1 ZINC000753934852 574056043 /nfs/dbraw/zinc/05/60/43/574056043.db2.gz KNZIOKOGXNUUPH-IYBDPMFKSA-N 0 1 284.407 2.887 20 30 CFEDMN CC(=NNC1=N[C@H]2CCCC[C@H]2N1)c1ccc(C)c(C)c1 ZINC000753934098 574056049 /nfs/dbraw/zinc/05/60/49/574056049.db2.gz FUSGFVQWRIFWQS-IYBDPMFKSA-N 0 1 284.407 2.887 20 30 CFEDMN Cc1ccc2c(c1)C(=NNC1=N[C@@H]3CCCC[C@@H]3N1)CC2 ZINC000753935449 574056153 /nfs/dbraw/zinc/05/61/53/574056153.db2.gz NUVYSFRLVUPHKB-IYBDPMFKSA-N 0 1 282.391 2.505 20 30 CFEDMN CC(=NNC1=N[C@H]2CCCC[C@@H]2N1)c1ccc(C)c(C)c1 ZINC000753934093 574056218 /nfs/dbraw/zinc/05/62/18/574056218.db2.gz FUSGFVQWRIFWQS-HOTGVXAUSA-N 0 1 284.407 2.887 20 30 CFEDMN CCc1ccc(C(C)=NNC2=N[C@H]3CCCC[C@@H]3N2)cc1 ZINC000753935352 574056246 /nfs/dbraw/zinc/05/62/46/574056246.db2.gz NPGWNLZEFWBBQR-HOTGVXAUSA-N 0 1 284.407 2.833 20 30 CFEDMN Fc1cc(C=NNC2=N[C@H]3CCCC[C@@H]3N2)ccc1Cl ZINC000753937883 574056511 /nfs/dbraw/zinc/05/65/11/574056511.db2.gz HPEGEUUQVYCKQP-STQMWFEESA-N 0 1 294.761 2.673 20 30 CFEDMN Fc1ccc(Cl)cc1C=NNC1=N[C@H]2CCCC[C@@H]2N1 ZINC000753936601 574056656 /nfs/dbraw/zinc/05/66/56/574056656.db2.gz SURFDQDGHSVRFY-STQMWFEESA-N 0 1 294.761 2.673 20 30 CFEDMN CC(=NNC1=N[C@@H]2CCCC[C@H]2N1)c1ccc(F)cc1C ZINC000753936846 574056673 /nfs/dbraw/zinc/05/66/73/574056673.db2.gz URTPFUWGEKUWCW-HUUCEWRRSA-N 0 1 288.370 2.718 20 30 CFEDMN C(=CN=NC1=N[C@H]2CCCC[C@H]2N1)Cc1ccccc1 ZINC000753937389 574056690 /nfs/dbraw/zinc/05/66/90/574056690.db2.gz XENNPAWABFFNET-WTZWEYBESA-N 0 1 268.364 2.546 20 30 CFEDMN Cc1cc(C=NNC2=N[C@@H]3CCCC[C@@H]3N2)c(C)s1 ZINC000753938595 574057175 /nfs/dbraw/zinc/05/71/75/574057175.db2.gz KKUIIAGYLHZKRI-BETUJISGSA-N 0 1 276.409 2.559 20 30 CFEDMN CC[N@@H+](CCCCC#N)[C@H](C)c1ccc(-c2nn[nH]n2)cc1 ZINC000736538487 574058523 /nfs/dbraw/zinc/05/85/23/574058523.db2.gz XITLHPMTHDHPSA-CYBMUJFWSA-N 0 1 298.394 2.943 20 30 CFEDMN C#CCN1CCC(N2c3ccccc3C[C@@H]2C)CC1 ZINC000744206218 574060889 /nfs/dbraw/zinc/06/08/89/574060889.db2.gz CULLLQYRXPQURV-AWEZNQCLSA-N 0 1 254.377 2.535 20 30 CFEDMN C#CCOc1ccccc1CN(C)CCOC(C)(C)C ZINC000730260392 574068491 /nfs/dbraw/zinc/06/84/91/574068491.db2.gz GPOSSXNQMDRKGQ-UHFFFAOYSA-N 0 1 275.392 2.946 20 30 CFEDMN C#CCOCCN[C@@H](C)c1ccc(F)cc1Cl ZINC000753761662 574074951 /nfs/dbraw/zinc/07/49/51/574074951.db2.gz OMOWHIDRXZOAJP-JTQLQIEISA-N 0 1 255.720 2.780 20 30 CFEDMN C=CC[N@@H+](Cc1cccs1)C[C@H]1CCN(C(=O)[O-])C1 ZINC000738493190 574095208 /nfs/dbraw/zinc/09/52/08/574095208.db2.gz YOOFYDJHDDKYJS-GFCCVEGCSA-N 0 1 280.393 2.736 20 30 CFEDMN C#C[C@@H](CC)NC(=O)[C@@H](c1ccccc1)N(CC)CC ZINC000754379204 574101954 /nfs/dbraw/zinc/10/19/54/574101954.db2.gz KCEMUGJOLQUWAT-JKSUJKDBSA-N 0 1 272.392 2.598 20 30 CFEDMN Cn1c2ccccc2nc1N=NCc1ccc(C#N)cc1 ZINC000728775943 574108220 /nfs/dbraw/zinc/10/82/20/574108220.db2.gz GAKZPMSGTILGQU-UHFFFAOYSA-N 0 1 275.315 2.891 20 30 CFEDMN Cc1ncccc1C=NNc1ccccc1[N+](=O)[O-] ZINC000728777700 574108503 /nfs/dbraw/zinc/10/85/03/574108503.db2.gz LBNYPPDZUYCNFO-UHFFFAOYSA-N 0 1 256.265 2.744 20 30 CFEDMN CC(C)(C)c1n[nH]cc1CN=Nc1ccc(F)cn1 ZINC000731317932 574116131 /nfs/dbraw/zinc/11/61/31/574116131.db2.gz GGPLSEJDNSLYQH-UHFFFAOYSA-N 0 1 261.304 2.687 20 30 CFEDMN CCOc1cccc(CN=Nc2ccc(F)cn2)c1O ZINC000731318411 574116268 /nfs/dbraw/zinc/11/62/68/574116268.db2.gz INBLQQGLNYAWRG-UHFFFAOYSA-N 0 1 275.283 2.771 20 30 CFEDMN Fc1ccc(N=NCc2c(Cl)nc3ccccn32)nc1 ZINC000731321842 574116751 /nfs/dbraw/zinc/11/67/51/574116751.db2.gz QZWDCHIFELOHBB-UHFFFAOYSA-N 0 1 289.701 2.968 20 30 CFEDMN N#CCOc1ccc(C=NNc2ccc(F)cn2)cc1 ZINC000731322011 574116844 /nfs/dbraw/zinc/11/68/44/574116844.db2.gz VJHYJJBGFXYTLZ-UHFFFAOYSA-N 0 1 270.267 2.569 20 30 CFEDMN Fc1ccc(NN=Cc2ccc(-n3cccn3)cc2)nc1 ZINC000731321801 574116876 /nfs/dbraw/zinc/11/68/76/574116876.db2.gz OXTIJDNTDRILNM-UHFFFAOYSA-N 0 1 281.294 2.852 20 30 CFEDMN COc1ccc2c(c1)C(N=Nc1ccc(F)cn1)CCO2 ZINC000731320408 574116889 /nfs/dbraw/zinc/11/68/89/574116889.db2.gz ZQKHFHMWXXAAMQ-UHFFFAOYSA-N 0 1 287.294 2.828 20 30 CFEDMN C=CCN(C(=O)NCc1nc2ccc(C)cc2[nH]1)C(C)C ZINC000745930737 574128574 /nfs/dbraw/zinc/12/85/74/574128574.db2.gz DVNGHROWVSMTDH-UHFFFAOYSA-N 0 1 286.379 2.977 20 30 CFEDMN C#CCCCN[C@H](C)c1nc(-c2cccc(OC)c2)no1 ZINC000755055389 574134751 /nfs/dbraw/zinc/13/47/51/574134751.db2.gz VUGMXSXIYRQFNJ-GFCCVEGCSA-N 0 1 285.347 2.809 20 30 CFEDMN CC(N=Nc1ccccc1S(C)(=O)=O)c1ccsc1 ZINC000731934237 574135373 /nfs/dbraw/zinc/13/53/73/574135373.db2.gz ZHYRSDLQTQZBEY-UHFFFAOYSA-N 0 1 294.401 2.988 20 30 CFEDMN C#C[C@@H](NCc1ccc2nc(C)sc2c1)[C@H]1CCCO1 ZINC000755208669 574146892 /nfs/dbraw/zinc/14/68/92/574146892.db2.gz BWSRMTMWYFYCQE-UKRRQHHQSA-N 0 1 286.400 2.875 20 30 CFEDMN CN(Cc1ccc(OCC#N)cc1)Cc1cccc(O)c1 ZINC000746457039 574149249 /nfs/dbraw/zinc/14/92/49/574149249.db2.gz IIKVIKGRZOHXTR-UHFFFAOYSA-N 0 1 282.343 2.927 20 30 CFEDMN C#CCNCC(=O)N(CCCCC)Cc1ccc(F)cc1 ZINC000746513503 574152600 /nfs/dbraw/zinc/15/26/00/574152600.db2.gz KEADSUQTMBAKGF-UHFFFAOYSA-N 0 1 290.382 2.567 20 30 CFEDMN COc1cc([N+](=O)[O-])ccc1N=NCc1ccc(C)o1 ZINC000746679342 574161998 /nfs/dbraw/zinc/16/19/98/574161998.db2.gz DIVJSWHYKCWLRG-UHFFFAOYSA-N 0 1 275.264 2.951 20 30 CFEDMN Cc1[nH]cnc1C=NNc1ccc(C(F)(F)F)cn1 ZINC000755487458 574165420 /nfs/dbraw/zinc/16/54/20/574165420.db2.gz FZTXLDHMBMAQHZ-UHFFFAOYSA-N 0 1 269.230 2.578 20 30 CFEDMN Oc1ccc(C=NNc2ccc3ccccc3n2)nc1 ZINC000755489707 574165442 /nfs/dbraw/zinc/16/54/42/574165442.db2.gz ZSVQCERPWQKFRY-UHFFFAOYSA-N 0 1 264.288 2.781 20 30 CFEDMN N#Cc1ccc(C[N@H+](CCCCC(=O)[O-])C2CC2)cc1 ZINC000738432374 574169002 /nfs/dbraw/zinc/16/90/02/574169002.db2.gz KTWHKOSWWXDRAY-UHFFFAOYSA-N 0 1 272.348 2.778 20 30 CFEDMN CC[C@@H](C)C=Nn1c(=O)c2ccccc2[nH]c1=S ZINC000755617542 574172026 /nfs/dbraw/zinc/17/20/26/574172026.db2.gz NMDOJKMGVINTAW-SECBINFHSA-N 0 1 261.350 2.565 20 30 CFEDMN C[C@@H]1CCCC[C@H]1CC(=O)C(C#N)C(=O)Nc1ccccn1 ZINC000747020812 574175933 /nfs/dbraw/zinc/17/59/33/574175933.db2.gz JBNPBSKDNCLJGI-RDBSUJKOSA-N 0 1 299.374 2.945 20 30 CFEDMN CC(C)CCn1cccc1C=NNc1ncnc2[nH]cnc21 ZINC000755661963 574176423 /nfs/dbraw/zinc/17/64/23/574176423.db2.gz PHECVMBCBNANND-UHFFFAOYSA-N 0 1 297.366 2.647 20 30 CFEDMN CCCn1nc(C)c(CN=Nc2ccc(F)cn2)c1C ZINC000755706077 574179019 /nfs/dbraw/zinc/17/90/19/574179019.db2.gz KMZHKDJGFNQIKA-UHFFFAOYSA-N 0 1 275.331 2.890 20 30 CFEDMN Cc1cc(C(C#N)C(=O)C2C(C)(C)C2(C)C)nc(C)n1 ZINC000747107473 574180495 /nfs/dbraw/zinc/18/04/95/574180495.db2.gz FAAGJMIAYOKACW-NSHDSACASA-N 0 1 271.364 2.952 20 30 CFEDMN CCCCc1nc(C=NNC2CCOCC2)c(Cl)[nH]1 ZINC000755769209 574185774 /nfs/dbraw/zinc/18/57/74/574185774.db2.gz MJSIOVILMRLTHG-UHFFFAOYSA-N 0 1 284.791 2.508 20 30 CFEDMN CC(=NO[C@H]1CCCCO1)c1cc(F)cc(F)c1O ZINC000755824734 574190450 /nfs/dbraw/zinc/19/04/50/574190450.db2.gz RWEUCTSDMYOBDP-LBPRGKRZSA-N 0 1 271.263 2.938 20 30 CFEDMN C[C@H]1CN(C2CC2)CC1N=Nc1cnc2ccccc2n1 ZINC000755890288 574194308 /nfs/dbraw/zinc/19/43/08/574194308.db2.gz SUMWQOPTQNWSNN-NSHDSACASA-N 0 1 281.363 2.512 20 30 CFEDMN C[C@@H](c1ccc(C#N)cc1)[N@H+]1CCC[C@@H](CNC(=O)[O-])C1 ZINC000739054090 574194768 /nfs/dbraw/zinc/19/47/68/574194768.db2.gz OPVCTRMABGUJIZ-JSGCOSHPSA-N 0 1 287.363 2.599 20 30 CFEDMN Cc1ccnc(NN=Cc2cccc3c2OCO3)c1 ZINC000755900830 574195422 /nfs/dbraw/zinc/19/54/22/574195422.db2.gz PRSRSOPMBPVYSK-UHFFFAOYSA-N 0 1 255.277 2.565 20 30 CFEDMN CCc1cccc2c1NC(=O)C2=NNc1cc(C)ccn1 ZINC000755901997 574195653 /nfs/dbraw/zinc/19/56/53/574195653.db2.gz YNHFBLWZZYLXMN-UHFFFAOYSA-N 0 1 280.331 2.721 20 30 CFEDMN C=CCCCCCN(C)CN1C[C@](C)(COC)CC1=O ZINC000747458848 574196919 /nfs/dbraw/zinc/19/69/19/574196919.db2.gz CEXRFJHFUHLBIQ-MRXNPFEDSA-N 0 1 282.428 2.507 20 30 CFEDMN CCCCCNC(=O)C(C#N)C(=O)[C@H]1CC12CCCC2 ZINC000747477546 574197334 /nfs/dbraw/zinc/19/73/34/574197334.db2.gz BKNPTNQGZMCVGY-CHWSQXEVSA-N 0 1 276.380 2.582 20 30 CFEDMN COC(=O)c1ccc(CN=Nc2cc(F)c(F)cc2F)[nH]1 ZINC000747631164 574203875 /nfs/dbraw/zinc/20/38/75/574203875.db2.gz CDBZBDLBHVAGMR-UHFFFAOYSA-N 0 1 297.236 2.665 20 30 CFEDMN CC(=NN=c1cc[nH]c(N(C)C)n1)c1cc(C)ccc1C ZINC000739413165 574212457 /nfs/dbraw/zinc/21/24/57/574212457.db2.gz ISZRBUQRYSCPTG-UHFFFAOYSA-N 0 1 283.379 2.996 20 30 CFEDMN Cc1cc(C)cc(C=NN=c2cc[nH]c(N(C)C)n2)c1 ZINC000739418669 574213006 /nfs/dbraw/zinc/21/30/06/574213006.db2.gz ZRGHTPBFTWIRLD-UHFFFAOYSA-N 0 1 269.352 2.605 20 30 CFEDMN CCOc1ccccc1C(C)N=Nc1ccnc(N(C)C)n1 ZINC000739414244 574213054 /nfs/dbraw/zinc/21/30/54/574213054.db2.gz VLGVBPUCSIFRDQ-UHFFFAOYSA-N 0 1 299.378 2.777 20 30 CFEDMN CC(C)CN(Cc1ccc(C#N)cc1)CN1C[C@H](C)CC1=O ZINC000733294896 574218353 /nfs/dbraw/zinc/21/83/53/574218353.db2.gz QTSKYKPWCTWGGM-OAHLLOKOSA-N 0 1 299.418 2.842 20 30 CFEDMN C=CCN(CC[S@](=O)c1ccccc1)C(C)C ZINC000729473537 574218373 /nfs/dbraw/zinc/21/83/73/574218373.db2.gz JHLRZCSOOAMVAG-KRWDZBQOSA-N 0 1 251.395 2.691 20 30 CFEDMN C#CCCN[C@H](C(=O)NCc1ccccc1)c1ccccc1 ZINC000733321383 574221174 /nfs/dbraw/zinc/22/11/74/574221174.db2.gz BPGBTIPUTPFPLZ-SFHVURJKSA-N 0 1 292.382 2.657 20 30 CFEDMN COC[C@H](C)CC(=O)[C@@H](C#N)c1nc2cccc(C)c2[nH]1 ZINC000756289812 574221914 /nfs/dbraw/zinc/22/19/14/574221914.db2.gz KEJANSZLYGIRIH-ZYHUDNBSSA-N 0 1 285.347 2.720 20 30 CFEDMN C=CCN(Cn1nc(C(=O)OC)c2ccccc21)C(C)C ZINC000748087593 574228448 /nfs/dbraw/zinc/22/84/48/574228448.db2.gz VFCKWLMBLMDSNG-UHFFFAOYSA-N 0 1 287.363 2.677 20 30 CFEDMN C#CCN1CCC[C@H]1COC(=O)c1cc(C)cc(C)c1 ZINC000729810107 574233013 /nfs/dbraw/zinc/23/30/13/574233013.db2.gz UJTSNUSJQNXMGK-INIZCTEOSA-N 0 1 271.360 2.558 20 30 CFEDMN C#CCN1CCC[C@H]1COC(=O)CCc1ccc(C)cc1 ZINC000729809574 574233228 /nfs/dbraw/zinc/23/32/28/574233228.db2.gz LXWIWPKRMZHEOX-KRWDZBQOSA-N 0 1 285.387 2.568 20 30 CFEDMN C#CCN1CCC[C@@H]1COC(=O)C(C)(C)c1cccs1 ZINC000756542054 574244918 /nfs/dbraw/zinc/24/49/18/574244918.db2.gz FEWIDKILFVPKQN-CYBMUJFWSA-N 0 1 291.416 2.667 20 30 CFEDMN C#CCN1CCC[C@@H]1COC(=O)[C@H]1CCCc2ccccc21 ZINC000756544887 574245386 /nfs/dbraw/zinc/24/53/86/574245386.db2.gz SFFZTPDMXCNZGW-AEFFLSMTSA-N 0 1 297.398 2.747 20 30 CFEDMN C#CCN1CCC[C@H]1COC(=O)c1ccc(SC)cc1 ZINC000756544819 574245774 /nfs/dbraw/zinc/24/57/74/574245774.db2.gz WYNJIIVCHYHFSO-AWEZNQCLSA-N 0 1 289.400 2.663 20 30 CFEDMN C#CCN1CCC[C@H]1COC(=O)c1ccccc1SC ZINC000756549019 574245891 /nfs/dbraw/zinc/24/58/91/574245891.db2.gz UEJPXTIODIJRSH-ZDUSSCGKSA-N 0 1 289.400 2.663 20 30 CFEDMN N#Cc1ccc(C[N@H+](C[C@H]2CCN(C(=O)[O-])C2)C2CC2)cc1 ZINC000740312135 574246502 /nfs/dbraw/zinc/24/65/02/574246502.db2.gz BTCQCCAJZPULNH-HNNXBMFYSA-N 0 1 299.374 2.523 20 30 CFEDMN CCn1cc(C(C)N=Nc2cnnc3ccccc23)cn1 ZINC000733747946 574254884 /nfs/dbraw/zinc/25/48/84/574254884.db2.gz YXWPICJVIZQOOC-UHFFFAOYSA-N 0 1 280.335 2.682 20 30 CFEDMN CC(=NNc1cnnc2ccccc21)c1ccccn1 ZINC000733750459 574255089 /nfs/dbraw/zinc/25/50/89/574255089.db2.gz ZVMVJFABAWKKTD-UHFFFAOYSA-N 0 1 263.304 2.861 20 30 CFEDMN N#CCOc1ccc(CN=Nc2ccncc2Cl)cc1 ZINC000756840430 574266870 /nfs/dbraw/zinc/26/68/70/574266870.db2.gz XAIJMPAFRZFINB-UHFFFAOYSA-N 0 1 286.722 2.505 20 30 CFEDMN Clc1cnccc1NN=C1CCc2ccccc21 ZINC000756842714 574267345 /nfs/dbraw/zinc/26/73/45/574267345.db2.gz XQQCOCFFWQGKEZ-UHFFFAOYSA-N 0 1 257.724 2.919 20 30 CFEDMN COC(=O)/C(C)=C\CN(Cc1ccc(C#N)cc1)C1CC1 ZINC000748815418 574269063 /nfs/dbraw/zinc/26/90/63/574269063.db2.gz MVLGCQQSMAFKIB-LCYFTJDESA-N 0 1 284.359 2.642 20 30 CFEDMN C#CCN(CC(=O)N(C)[C@@H](C)CC(C)C)C1CCCC1 ZINC000756911818 574272867 /nfs/dbraw/zinc/27/28/67/574272867.db2.gz HPLZQTDRTAQDBN-HNNXBMFYSA-N 0 1 278.440 2.757 20 30 CFEDMN C#CCNCC(=O)N1CCC[C@@H]1c1ccc(C(C)(C)C)cc1 ZINC000746513513 574277049 /nfs/dbraw/zinc/27/70/49/574277049.db2.gz LDKRUGPEBNCCHA-QGZVFWFLSA-N 0 1 298.430 2.870 20 30 CFEDMN CC(C)CCCCCC(=O)C(C#N)C(=O)NC(C)C ZINC000749025105 574277350 /nfs/dbraw/zinc/27/73/50/574277350.db2.gz AUSXQCSXDICKBL-CYBMUJFWSA-N 0 1 266.385 2.826 20 30 CFEDMN C[C@@H](C(=O)OCc1ccccc1C#N)N1[C@H](C)CC[C@H]1C ZINC000741019266 574278306 /nfs/dbraw/zinc/27/83/06/574278306.db2.gz VMFQLIZTTINTDR-MCIONIFRSA-N 0 1 286.375 2.863 20 30 CFEDMN C[C@H]1C[N@@H+](Cc2ccccc2)CCC1N=Nc1ncccn1 ZINC000734365809 574283929 /nfs/dbraw/zinc/28/39/29/574283929.db2.gz UCWFNNHJABQBAT-AWEZNQCLSA-N 0 1 295.390 2.787 20 30 CFEDMN CC(C)CN(CCC#N)CCC(=O)N(C)c1ccccc1 ZINC000749513194 574298516 /nfs/dbraw/zinc/29/85/16/574298516.db2.gz AJVXNOZVRGVEEZ-UHFFFAOYSA-N 0 1 287.407 2.911 20 30 CFEDMN CCC(N=Nc1cc(F)cc(F)c1)c1cnn(C)c1 ZINC000741805915 574304782 /nfs/dbraw/zinc/30/47/82/574304782.db2.gz FRYTUHOJAQKITA-UHFFFAOYSA-N 0 1 264.279 2.925 20 30 CFEDMN CC(=NN=c1cc[nH]c(N(C)C)n1)c1ccc2c(c1)CCC2 ZINC000739418648 574308607 /nfs/dbraw/zinc/30/86/07/574308607.db2.gz YTOCFPFNNINBCK-UHFFFAOYSA-N 0 1 295.390 2.867 20 30 CFEDMN CSc1ccc(CN=Nc2ccnc(N(C)C)n2)cc1 ZINC000739421705 574309226 /nfs/dbraw/zinc/30/92/26/574309226.db2.gz NLWBVPMWNMYZEU-UHFFFAOYSA-N 0 1 287.392 2.711 20 30 CFEDMN C#CCNC(=O)CN(C)Cc1ccccc1-c1ccccc1 ZINC000725806383 574312267 /nfs/dbraw/zinc/31/22/67/574312267.db2.gz RQIPVTBKZOWWBJ-UHFFFAOYSA-N 0 1 292.382 2.535 20 30 CFEDMN Oc1c(F)cc(C=Nn2cnc3ccccc32)cc1F ZINC000749860275 574313081 /nfs/dbraw/zinc/31/30/81/574313081.db2.gz VXXBWIYJPYEETR-UHFFFAOYSA-N 0 1 273.242 2.902 20 30 CFEDMN C#CCN1CCC(C(=O)N(CC)c2ccc(C)cc2)CC1 ZINC000742285135 574322346 /nfs/dbraw/zinc/32/23/46/574322346.db2.gz MADWWIHIGDUQBQ-UHFFFAOYSA-N 0 1 284.403 2.693 20 30 CFEDMN C=CCC[N@H+](CCC)Cc1ccc(-c2nn[nH]n2)cc1 ZINC000735412442 574322728 /nfs/dbraw/zinc/32/27/28/574322728.db2.gz AVRXUVKBFZWFQM-UHFFFAOYSA-N 0 1 271.368 2.655 20 30 CFEDMN C[C@H](c1ccc(C#N)cc1)[N@H+]1CCC[C@@H](N(C)C(=O)[O-])C1 ZINC000739052660 574329071 /nfs/dbraw/zinc/32/90/71/574329071.db2.gz HTYGZFGWMAAHKI-IUODEOHRSA-N 0 1 287.363 2.693 20 30 CFEDMN C#CCOc1ccc(NC(=O)c2ccc(F)cc2O)cc1 ZINC000750537715 574347006 /nfs/dbraw/zinc/34/70/06/574347006.db2.gz SPZKQKMPGPOBED-UHFFFAOYSA-N 0 1 285.274 2.796 20 30 CFEDMN CCCCCNC(=O)C(C#N)C(=O)[C@@H](C)C1CCCC1 ZINC000750684375 574351236 /nfs/dbraw/zinc/35/12/36/574351236.db2.gz PWQMYBOHMMUCEJ-JSGCOSHPSA-N 0 1 278.396 2.828 20 30 CFEDMN C(=NNc1ccccc1)c1cc(-c2cccnc2)[nH]n1 ZINC000743418615 574363155 /nfs/dbraw/zinc/36/31/55/574363155.db2.gz FIGJJUHYQGYPQL-UHFFFAOYSA-N 0 1 263.304 2.918 20 30 CFEDMN CN(C)c1ccccc1CNCC#Cc1ccccc1 ZINC000736355428 574364680 /nfs/dbraw/zinc/36/46/80/574364680.db2.gz LXIKTEZXQANKGA-UHFFFAOYSA-N 0 1 264.372 2.894 20 30 CFEDMN Cc1cc(NN=C2CCc3c2cc(F)cc3F)ncn1 ZINC000752730092 574394056 /nfs/dbraw/zinc/39/40/56/574394056.db2.gz IYJWOMRDGGMRLG-UHFFFAOYSA-N 0 1 274.274 2.826 20 30 CFEDMN CC(C)(C)NC(=S)NN=Cc1cccc(Cl)c1O ZINC000753162681 574399720 /nfs/dbraw/zinc/39/97/20/574399720.db2.gz PROJNGCNUDWNAX-UHFFFAOYSA-N 0 1 285.800 2.642 20 30 CFEDMN Cc1ccc(NN=Cc2cnc(-c3ccccn3)s2)nn1 ZINC000753165922 574399753 /nfs/dbraw/zinc/39/97/53/574399753.db2.gz RCTFHWIBVCHWRY-UHFFFAOYSA-N 0 1 296.359 2.750 20 30 CFEDMN C#CCCCN[C@H](c1ccc(F)cc1)c1cnccn1 ZINC000753664800 574407709 /nfs/dbraw/zinc/40/77/09/574407709.db2.gz RNBLBZVXZBNGFE-MRXNPFEDSA-N 0 1 269.323 2.708 20 30 CFEDMN C=CC(C)(C)CC(=O)N1[C@H](C)CN(C)[C@@H](C)[C@@H]1C ZINC000892353846 618178283 /nfs/dbraw/zinc/17/82/83/618178283.db2.gz OICBIFMEOOZYQZ-AGIUHOORSA-N 0 1 252.402 2.528 20 30 CFEDMN CC(C)[N@@H+](CCCC(=O)[O-])Cc1ccc(C#N)cc1 ZINC000037596567 600226821 /nfs/dbraw/zinc/22/68/21/600226821.db2.gz RBZOELWOCXANQU-UHFFFAOYSA-N 0 1 260.337 2.633 20 30 CFEDMN C/C(=C/C[N@@H+](Cc1ccc(C#N)cc1)C1CC1)C(=O)[O-] ZINC000825730223 601159615 /nfs/dbraw/zinc/15/96/15/601159615.db2.gz TWZHQPSZUOZCQW-WQLSENKSSA-N 0 1 270.332 2.554 20 30 CFEDMN C[C@H]1CCC[N@H+]([C@@H](C(=O)[O-])c2cccc(C#N)c2)CC1 ZINC000828265579 601315234 /nfs/dbraw/zinc/31/52/34/601315234.db2.gz CYXIMNCFVNDMSO-SWLSCSKDSA-N 0 1 272.348 2.806 20 30 CFEDMN C=C(C)C[N@H+](C)[C@@H](C(=O)[O-])c1cc(F)c(F)c(F)c1 ZINC000825642338 601898134 /nfs/dbraw/zinc/89/81/34/601898134.db2.gz PTDYUOCGGSNJLZ-GFCCVEGCSA-N 0 1 273.254 2.738 20 30 CFEDMN CC[C@@]1(C)CC[N@H+]([C@H](C(=O)[O-])c2ccc(C#N)cc2)C1 ZINC000829049706 602239682 /nfs/dbraw/zinc/23/96/82/602239682.db2.gz DPTQMORYVMPLSG-HOCLYGCPSA-N 0 1 272.348 2.806 20 30 CFEDMN N#Cc1cccc([C@@H](C(=O)[O-])[N@H+]2CCC3(CCC3)C2)c1 ZINC000833073956 602240581 /nfs/dbraw/zinc/24/05/81/602240581.db2.gz LAFQWFJGQFOICY-AWEZNQCLSA-N 0 1 270.332 2.560 20 30 CFEDMN C=C(Cl)C[NH+]1CCC(N(CC2CC2)C(=O)[O-])CC1 ZINC000823480866 603450501 /nfs/dbraw/zinc/45/05/01/603450501.db2.gz QMPYYJNAPLIIQR-UHFFFAOYSA-N 0 1 272.776 2.593 20 30 CFEDMN C[C@H]1Cc2cn[nH]c2[C@H](C(=O)N(C)c2cccc(C#N)c2)C1 ZINC000900377609 620666975 /nfs/dbraw/zinc/66/69/75/620666975.db2.gz XUFHSAHBQAHGOZ-XHDPSFHLSA-N 0 1 294.358 2.610 20 30 CFEDMN CC(C)(C#N)CCC[N@@H+](C1CC1)C1CCN(C(=O)[O-])CC1 ZINC000823737444 603992742 /nfs/dbraw/zinc/99/27/42/603992742.db2.gz GXVFRUSLIQZEHX-UHFFFAOYSA-N 0 1 293.411 2.923 20 30 CFEDMN C[C@@H](NC(=O)[O-])[C@H]1CCCC[N@H+]1CCCC(C)(C)C#N ZINC000825191712 603993507 /nfs/dbraw/zinc/99/35/07/603993507.db2.gz ALNIJGQIHINEMB-CHWSQXEVSA-N 0 1 281.400 2.827 20 30 CFEDMN C[C@@H]1CCC[N@@H+](Cc2cccc(C(=O)[O-])c2C#N)CC1 ZINC000833614478 604604671 /nfs/dbraw/zinc/60/46/71/604604671.db2.gz NOCLAEMVJTUSNM-GFCCVEGCSA-N 0 1 272.348 2.878 20 30 CFEDMN C[C@@H]1[C@@H](C)CCC[N@H+]1Cc1cccc(C(=O)[O-])c1C#N ZINC000833613118 604611005 /nfs/dbraw/zinc/61/10/05/604611005.db2.gz DJAXQUPBHKJOCL-NWDGAFQWSA-N 0 1 272.348 2.877 20 30 CFEDMN C=CCOc1cccc(C[N@H+](C)C(C)(C)C(=O)[O-])c1 ZINC000833378765 604626712 /nfs/dbraw/zinc/62/67/12/604626712.db2.gz MSNIGXJJQFZXSO-UHFFFAOYSA-N 0 1 263.337 2.546 20 30 CFEDMN C#CCCOc1ccc(C[N@@H+]2CCC[C@@H]2CC(=O)[O-])cc1 ZINC000833364769 604659474 /nfs/dbraw/zinc/65/94/74/604659474.db2.gz DHNQMVZNQGNXSW-OAHLLOKOSA-N 0 1 287.359 2.528 20 30 CFEDMN C#CC[N@H+](Cc1c[nH]c(C(=O)[O-])c1)[C@H]1CCc2ccccc21 ZINC000825614101 604681755 /nfs/dbraw/zinc/68/17/55/604681755.db2.gz FWRNTXZZMFVNQW-KRWDZBQOSA-N 0 1 294.354 2.836 20 30 CFEDMN C#CC[N@H+](Cc1ccc(C(=O)[O-])cc1F)C1CCCC1 ZINC000833364613 604761476 /nfs/dbraw/zinc/76/14/76/604761476.db2.gz QNSICVKYKJJXST-UHFFFAOYSA-N 0 1 275.323 2.902 20 30 CFEDMN C=C(C)C[N@H+](CC)[C@H](C(=O)[O-])c1cccc(C#N)c1 ZINC000833369037 605042082 /nfs/dbraw/zinc/04/20/82/605042082.db2.gz AAWHCUZVAOWBEP-AWEZNQCLSA-N 0 1 258.321 2.582 20 30 CFEDMN C=CC[N@H+](CCc1ccco1)Cc1ccc(C(=O)[O-])[nH]1 ZINC000833374204 605116011 /nfs/dbraw/zinc/11/60/11/605116011.db2.gz CHIOXLZSAYTSKV-UHFFFAOYSA-N 0 1 274.320 2.537 20 30 CFEDMN CC(C)N(Cc1cn([C@H]2CC[C@H](C#N)C2)nn1)C(C)C ZINC000900486241 620681674 /nfs/dbraw/zinc/68/16/74/620681674.db2.gz GQXXZSHYECKUJU-ZFWWWQNUSA-N 0 1 275.400 2.762 20 30 CFEDMN CC(C)(C#N)CC[N@@H+](CC(=O)[O-])Cc1ccc(F)c(F)c1 ZINC000833406991 605190415 /nfs/dbraw/zinc/19/04/15/605190415.db2.gz GHCKBALDPXGBKC-UHFFFAOYSA-N 0 1 296.317 2.791 20 30 CFEDMN C=C(C)C[N@H+](C)Cc1cc(C)c(OCC(=O)[O-])c(C)c1 ZINC000833368625 605490209 /nfs/dbraw/zinc/49/02/09/605490209.db2.gz NFYRVVPHCXKXJL-UHFFFAOYSA-N 0 1 277.364 2.775 20 30 CFEDMN C#CCC(C)(C)C(=O)OC[C@H]1CCN1Cc1ccccc1 ZINC000851468684 634382023 /nfs/dbraw/zinc/38/20/23/634382023.db2.gz NUMYFEXXMGFVEE-MRXNPFEDSA-N 0 1 285.387 2.854 20 30 CFEDMN C#CCCCC(=O)OC[C@@H]1CCN1Cc1ccccc1 ZINC000851468027 634382246 /nfs/dbraw/zinc/38/22/46/634382246.db2.gz INNRXTAVQHHPKB-INIZCTEOSA-N 0 1 271.360 2.608 20 30 CFEDMN C#CC[N@H+](Cc1ccc(NC(=O)[O-])nc1)C1CCCC1 ZINC000833787681 605618775 /nfs/dbraw/zinc/61/87/75/605618775.db2.gz XRFCLAVXXAMXAH-UHFFFAOYSA-N 0 1 273.336 2.549 20 30 CFEDMN C#Cc1cccc(N(C)C(=O)[C@H]2c3cn[nH]c3CC[C@@H]2C)c1 ZINC000900560734 620688500 /nfs/dbraw/zinc/68/85/00/620688500.db2.gz AGQMBKZZEDRPKJ-YVEFUNNKSA-N 0 1 293.370 2.720 20 30 CFEDMN Cc1nc(-c2nn[nH]n2)c(N=NC(C)CC2CCCC2)o1 ZINC000824393318 607782861 /nfs/dbraw/zinc/78/28/61/607782861.db2.gz SCJKZHJHUXFOGI-UHFFFAOYSA-N 0 1 289.343 2.531 20 30 CFEDMN CCC[C@H](C)CN=Nc1oc(C(C)C)nc1-c1nn[nH]n1 ZINC000825232387 607886730 /nfs/dbraw/zinc/88/67/30/607886730.db2.gz GPOOJEXNIRASRR-VIFPVBQESA-N 0 1 291.359 2.812 20 30 CFEDMN C#CCN(C)[C@@H]1CCN(C(=O)C2(CC)CCCCC2)C1 ZINC000980462357 613079828 /nfs/dbraw/zinc/07/98/28/613079828.db2.gz LHTUNXXHRIXULS-OAHLLOKOSA-N 0 1 276.424 2.513 20 30 CFEDMN C#CCCN1CC[C@H](C)[C@H](NC(=O)c2ccc(C)s2)C1 ZINC000964709048 613024987 /nfs/dbraw/zinc/02/49/87/613024987.db2.gz GMVZREALXJGONK-GXTWGEPZSA-N 0 1 290.432 2.520 20 30 CFEDMN C#CCN(C)[C@@H]1CCN(C(=O)C(C)(C)C2CCCCC2)C1 ZINC000972505688 613079755 /nfs/dbraw/zinc/07/97/55/613079755.db2.gz CQNFNLSLMGTMQZ-MRXNPFEDSA-N 0 1 290.451 2.759 20 30 CFEDMN C#CCN(C)[C@@H]1CCN(C(=O)c2cc3cccc(C)c3o2)C1 ZINC000980493939 613085587 /nfs/dbraw/zinc/08/55/87/613085587.db2.gz KHFOMZUKGYWNLU-OAHLLOKOSA-N 0 1 296.370 2.521 20 30 CFEDMN C#CCN(C)[C@@H]1CCN(C(=O)c2ccccc2C(C)C)C1 ZINC000971644089 613086859 /nfs/dbraw/zinc/08/68/59/613086859.db2.gz FIGRYJRUYGNAFN-OAHLLOKOSA-N 0 1 284.403 2.590 20 30 CFEDMN C#CCN(C)[C@H]1CCN(C(=O)C2(CC)CCCCC2)C1 ZINC000980462356 613089009 /nfs/dbraw/zinc/08/90/09/613089009.db2.gz LHTUNXXHRIXULS-HNNXBMFYSA-N 0 1 276.424 2.513 20 30 CFEDMN C#CCN1CCCC2(CN(C(=O)CC3CCCCC3)C2)C1 ZINC000981607669 613140449 /nfs/dbraw/zinc/14/04/49/613140449.db2.gz BFFDDWIQTDSCAQ-UHFFFAOYSA-N 0 1 288.435 2.514 20 30 CFEDMN C#CCN1CCCCC[C@@H]1CNC(=O)C1CCC(F)CC1 ZINC000969014345 613145395 /nfs/dbraw/zinc/14/53/95/613145395.db2.gz YGYVKAJYEVWPMZ-UYSNPLJNSA-N 0 1 294.414 2.509 20 30 CFEDMN C#CCN1CCCCC[C@@H]1CNC(=O)C1CC2(CCC2)C1 ZINC000968984677 613145643 /nfs/dbraw/zinc/14/56/43/613145643.db2.gz GRDJIAOCLKZGEC-MRXNPFEDSA-N 0 1 288.435 2.561 20 30 CFEDMN C#CCN1CCCCC[C@@H]1CNC(=O)[C@@H]1CCCC12CC2 ZINC000968914321 613145960 /nfs/dbraw/zinc/14/59/60/613145960.db2.gz SHOLVODQBCJGBJ-CVEARBPZSA-N 0 1 288.435 2.561 20 30 CFEDMN C#CCN1CC[C@@H](NC(=O)[C@H](C)c2ccccc2)C(C)(C)C1 ZINC000941172944 613229660 /nfs/dbraw/zinc/22/96/60/613229660.db2.gz MNYKCWSAONEBQH-NVXWUHKLSA-N 0 1 298.430 2.640 20 30 CFEDMN C#CCN1CC[C@@H](NC(=O)c2ccsc2Cl)C[C@H]1C ZINC000947778692 613239813 /nfs/dbraw/zinc/23/98/13/613239813.db2.gz IFAJZVPGSIJWNX-GHMZBOCLSA-N 0 1 296.823 2.617 20 30 CFEDMN C=C(C)CCN1CC(N(CC)C(=O)[C@H]2C[C@]2(C)CC)C1 ZINC000957067471 613246092 /nfs/dbraw/zinc/24/60/92/613246092.db2.gz LOKKECUBHZWQPW-WBVHZDCISA-N 0 1 278.440 2.922 20 30 CFEDMN C=C(C)CCN1CC(N(CC)C(=O)c2ccccc2)C1 ZINC000949591335 613246326 /nfs/dbraw/zinc/24/63/26/613246326.db2.gz OVLWJEXYXFTZQE-UHFFFAOYSA-N 0 1 272.392 2.799 20 30 CFEDMN C=C(C)CCN1CC(N(CC)C(=O)c2ccnc(C)c2)C1 ZINC000956984827 613247068 /nfs/dbraw/zinc/24/70/68/613247068.db2.gz CLIRXQSCVHULCY-UHFFFAOYSA-N 0 1 287.407 2.503 20 30 CFEDMN C=C(C)CCN1CCN(C(=O)CCc2ccc(C)o2)CC1 ZINC000957769393 613257723 /nfs/dbraw/zinc/25/77/23/613257723.db2.gz YNBQCNFVMWASTB-UHFFFAOYSA-N 0 1 290.407 2.631 20 30 CFEDMN C=C(C)CCN1CCN(C(=O)C[C@@H](C)n2cccc2)CC1 ZINC000957384478 613257784 /nfs/dbraw/zinc/25/77/84/613257784.db2.gz SNMHODBNNKTFJM-MRXNPFEDSA-N 0 1 289.423 2.550 20 30 CFEDMN C=C(C)CCN1CCN(C(=O)[C@@H]2CCC[C@H](C)C2)CC1 ZINC000949929329 613259096 /nfs/dbraw/zinc/25/90/96/613259096.db2.gz AFZGCCJHZOYOED-JKSUJKDBSA-N 0 1 278.440 2.923 20 30 CFEDMN C=C(C)CCN1CCN(C(=O)[C@H]2CCC(F)(F)C2)CC1 ZINC000948664622 613260606 /nfs/dbraw/zinc/26/06/06/613260606.db2.gz BXSVIOSIOKGRMO-ZDUSSCGKSA-N 0 1 286.366 2.532 20 30 CFEDMN C#CCN1CC[C@H](NC(=O)[C@H]2CCCC2(C)C)C(C)(C)C1 ZINC000940962230 613263370 /nfs/dbraw/zinc/26/33/70/613263370.db2.gz WGLKPWVORBYEFI-CABCVRRESA-N 0 1 290.451 2.663 20 30 CFEDMN C#CCN1CC[C@H](NC(=O)c2ccccc2Cl)C[C@@H]1C ZINC000947958594 613271422 /nfs/dbraw/zinc/27/14/22/613271422.db2.gz RICMPQCKTWHKKP-STQMWFEESA-N 0 1 290.794 2.556 20 30 CFEDMN C#CCN1CC[C@H](NC(=O)c2coc3ccccc23)[C@@H](C)C1 ZINC000945941822 613276844 /nfs/dbraw/zinc/27/68/44/613276844.db2.gz HETHDIXWOGMSGB-BBRMVZONSA-N 0 1 296.370 2.506 20 30 CFEDMN C=C(C)CN1CC([C@H](C)NC(=O)c2ccc(C(F)F)o2)C1 ZINC000970809492 613303244 /nfs/dbraw/zinc/30/32/44/613303244.db2.gz AWSGJIYSZJUSSY-JTQLQIEISA-N 0 1 298.333 2.843 20 30 CFEDMN C=C(C)CN1CCCCC[C@H]1CNC(=O)c1cncs1 ZINC000968773720 613307281 /nfs/dbraw/zinc/30/72/81/613307281.db2.gz FATQMZZDDQOORL-ZDUSSCGKSA-N 0 1 293.436 2.694 20 30 CFEDMN C=C(C)CN1CCCN(C(=O)C2(C)CCCC2)CC1 ZINC000981708700 613307677 /nfs/dbraw/zinc/30/76/77/613307677.db2.gz GBXHMXAVQZHGFD-UHFFFAOYSA-N 0 1 264.413 2.677 20 30 CFEDMN C=C(C)CN1CCCN(C(=O)C(C)=C2CCCC2)CC1 ZINC000980947076 613307764 /nfs/dbraw/zinc/30/77/64/613307764.db2.gz HZXQKRLBGLHEQR-UHFFFAOYSA-N 0 1 276.424 2.987 20 30 CFEDMN C=C(C)CN1CCCN(C(=O)[C@@H](C)c2cccs2)CC1 ZINC000981939574 613309422 /nfs/dbraw/zinc/30/94/22/613309422.db2.gz KQWJRDQAQKIBBZ-AWEZNQCLSA-N 0 1 292.448 2.962 20 30 CFEDMN C=C(C)CN1CCCN(C(=O)[C@H]2CC[C@H](C)C2)CC1 ZINC000982072327 613310615 /nfs/dbraw/zinc/31/06/15/613310615.db2.gz UAPFQXYSYWTTDT-GJZGRUSLSA-N 0 1 264.413 2.533 20 30 CFEDMN C=C(C)CN1CCCN(C(=O)[C@H]2CCC[C@@H](F)C2)CC1 ZINC000981143003 613310667 /nfs/dbraw/zinc/31/06/67/613310667.db2.gz XRADLMHRNVXNAS-LSDHHAIUSA-N 0 1 282.403 2.625 20 30 CFEDMN C=C(C)CN1CCCN(C(=O)c2cc(F)ccc2F)CC1 ZINC000981338469 613312206 /nfs/dbraw/zinc/31/22/06/613312206.db2.gz BYOHNGMJQWGZJQ-UHFFFAOYSA-N 0 1 294.345 2.689 20 30 CFEDMN C=C(C)CN1CCCN(C(=O)c2ccc(C)c(F)c2)CC1 ZINC000981578515 613312227 /nfs/dbraw/zinc/31/22/27/613312227.db2.gz LDAMIYFQVNQBKC-UHFFFAOYSA-N 0 1 290.382 2.858 20 30 CFEDMN C=C(C)CN1CC[C@@H](C)[C@@H](NC(=O)c2cccs2)C1 ZINC000964802158 613324502 /nfs/dbraw/zinc/32/45/02/613324502.db2.gz IYRDMMVSJZDBOZ-OLZOCXBDSA-N 0 1 278.421 2.764 20 30 CFEDMN C=C(C)CN1CC[C@@H](C)[C@@H](NC(=O)c2occc2CC)C1 ZINC000968255375 613324855 /nfs/dbraw/zinc/32/48/55/613324855.db2.gz QYLMJTYKOADDDX-HIFRSBDPSA-N 0 1 290.407 2.858 20 30 CFEDMN C=C(C)CN1CC[C@H](C)[C@@H](NC(=O)c2ccoc2CC)C1 ZINC000965973741 613332919 /nfs/dbraw/zinc/33/29/19/613332919.db2.gz FTJRRBMCDBBKDE-ZFWWWQNUSA-N 0 1 290.407 2.858 20 30 CFEDMN C=C(C)CN1CCc2ccccc2[C@@H]1CNC(=O)[C@H]1C[C@@H]1C ZINC000948946906 613337431 /nfs/dbraw/zinc/33/74/31/613337431.db2.gz RGBKIZQXQPZKIB-WBAXXEDZSA-N 0 1 298.430 2.934 20 30 CFEDMN C=C(C)CN1C[C@@H](NC(=O)c2ccoc2CC)C(C)(C)C1 ZINC000974532767 613338369 /nfs/dbraw/zinc/33/83/69/613338369.db2.gz PWQZPLGAZGHFLX-OAHLLOKOSA-N 0 1 290.407 2.858 20 30 CFEDMN C=C(C)CN1C[C@H](NC(=O)c2c(C)coc2C)C(C)(C)C1 ZINC000974547591 613342006 /nfs/dbraw/zinc/34/20/06/613342006.db2.gz OLPLTXYTEKOMKD-AWEZNQCLSA-N 0 1 290.407 2.913 20 30 CFEDMN C=C(C)CN1C[C@H](NC(=O)c2ccoc2Cl)C(C)(C)C1 ZINC000974501512 613342500 /nfs/dbraw/zinc/34/25/00/613342500.db2.gz WTDYRLWVJLFTGQ-LBPRGKRZSA-N 0 1 296.798 2.949 20 30 CFEDMN C=C(C)CN1C[C@H](NC(=O)c2occc2CC)C(C)(C)C1 ZINC000975003886 613342520 /nfs/dbraw/zinc/34/25/20/613342520.db2.gz QUGPZRYVJAQRAO-AWEZNQCLSA-N 0 1 290.407 2.858 20 30 CFEDMN C=C(Cl)CN[C@@H]1CCN(C(=O)C2(CC)CCCC2)C1 ZINC000970377307 613384353 /nfs/dbraw/zinc/38/43/53/613384353.db2.gz YOEXEBGBXWNMGB-CYBMUJFWSA-N 0 1 284.831 2.900 20 30 CFEDMN C=C(Cl)CN[C@@H]1CCN(C(=O)C2(F)CCCCC2)C1 ZINC000970405472 613384399 /nfs/dbraw/zinc/38/43/99/613384399.db2.gz CDYLQPSZUQTRGD-GFCCVEGCSA-N 0 1 288.794 2.602 20 30 CFEDMN C=C(Cl)CN[C@@H]1CCN(C(=O)C2(C3CC3)CCC2)C1 ZINC000969482317 613384435 /nfs/dbraw/zinc/38/44/35/613384435.db2.gz LUWSUQSHVBLCEQ-CYBMUJFWSA-N 0 1 282.815 2.510 20 30 CFEDMN C=C(Cl)CN[C@@H]1CCN(C(=O)CCC2CCC2)C1 ZINC000968347053 613384543 /nfs/dbraw/zinc/38/45/43/613384543.db2.gz RZAVVKGFTSGALJ-CYBMUJFWSA-N 0 1 270.804 2.510 20 30 CFEDMN C=C1CCC(C(=O)NC2[C@H]3CN(C/C=C\Cl)C[C@@H]23)CC1 ZINC000961686832 613407527 /nfs/dbraw/zinc/40/75/27/613407527.db2.gz KUWZMJPJBNSJGB-RMGBLBGHSA-N 0 1 294.826 2.532 20 30 CFEDMN C=C1CCC(C(=O)N[C@H]2CCN(CCF)[C@@H](C)C2)CC1 ZINC000947689557 613412639 /nfs/dbraw/zinc/41/26/39/613412639.db2.gz LCIJLYGIMVUPPG-ZFWWWQNUSA-N 0 1 282.403 2.671 20 30 CFEDMN C=CCCN1CC(N(CC)C(=O)c2c[nH]c3ccccc32)C1 ZINC000950787098 613479261 /nfs/dbraw/zinc/47/92/61/613479261.db2.gz MKLBDCDBXZSXPZ-UHFFFAOYSA-N 0 1 297.402 2.890 20 30 CFEDMN C=CCCN1CCN(C(=O)C2(C(F)F)CCCC2)CC1 ZINC000949836796 613501985 /nfs/dbraw/zinc/50/19/85/613501985.db2.gz FBFHLPBAOGKWSM-UHFFFAOYSA-N 0 1 286.366 2.532 20 30 CFEDMN C=CCCN1CCN(C(=O)C2(Cc3ccccc3)CC2)CC1 ZINC000948815998 613502062 /nfs/dbraw/zinc/50/20/62/613502062.db2.gz OCVBVEZFQPCTAZ-UHFFFAOYSA-N 0 1 298.430 2.730 20 30 CFEDMN C=CCCN1CCN(C(=O)C2(C)CCCCC2)CC1 ZINC000950004156 613502168 /nfs/dbraw/zinc/50/21/68/613502168.db2.gz GTLSYOCEGRSYKL-UHFFFAOYSA-N 0 1 264.413 2.677 20 30 CFEDMN C=CCCN1CCN(C(=O)C2(c3ccccc3)CCC2)CC1 ZINC000949181876 613502297 /nfs/dbraw/zinc/50/22/97/613502297.db2.gz NOGNYDQAUHYIES-UHFFFAOYSA-N 0 1 298.430 2.829 20 30 CFEDMN C=C[C@](C)(CC)C(=O)N1CCN(CCC(=C)C)CC1 ZINC000950051723 613502504 /nfs/dbraw/zinc/50/25/04/613502504.db2.gz SDEHMBUCPHWVDX-MRXNPFEDSA-N 0 1 264.413 2.699 20 30 CFEDMN C=CCCN1CCN(C(=O)C2[C@H]3CCCCCC[C@H]23)CC1 ZINC000950715537 613503073 /nfs/dbraw/zinc/50/30/73/613503073.db2.gz UQXUXMXBRCTKDU-HOTGVXAUSA-N 0 1 290.451 2.923 20 30 CFEDMN C=CCCN1CCN(C(=O)CCc2ccc(C)cc2)CC1 ZINC000949201294 613503084 /nfs/dbraw/zinc/50/30/84/613503084.db2.gz JNJXLEOOZJJBOL-UHFFFAOYSA-N 0 1 286.419 2.648 20 30 CFEDMN C=CCCN1CCN(C(=O)C[C@H](C)c2ccccc2)CC1 ZINC000957545829 613504050 /nfs/dbraw/zinc/50/40/50/613504050.db2.gz IBLUUBYDENQAQY-INIZCTEOSA-N 0 1 286.419 2.901 20 30 CFEDMN C=CCCN1CCN(C(=O)Cc2ccc(Cl)s2)CC1 ZINC000951555633 613504492 /nfs/dbraw/zinc/50/44/92/613504492.db2.gz DKLUVVWKSOVOJE-UHFFFAOYSA-N 0 1 298.839 2.664 20 30 CFEDMN C=CCCN1CCN(C(=O)[C@@H]2CC3CCC2CC3)CC1 ZINC000957808946 613505086 /nfs/dbraw/zinc/50/50/86/613505086.db2.gz CGDOQJLBWLJEDX-UYSNPLJNSA-N 0 1 276.424 2.533 20 30 CFEDMN C=CCCN1CCN(C(=O)[C@@H](C)c2cccc(C)c2)CC1 ZINC000950908998 613505214 /nfs/dbraw/zinc/50/52/14/613505214.db2.gz XWZRJXAUNBZDME-INIZCTEOSA-N 0 1 286.419 2.819 20 30 CFEDMN C=CCCN1CCN(C(=O)[C@]2(C)CCC[C@@H]2C)CC1 ZINC000950095335 613508784 /nfs/dbraw/zinc/50/87/84/613508784.db2.gz NQNUNSYQYUFUGI-GOEBONIOSA-N 0 1 264.413 2.533 20 30 CFEDMN CC#CCN1CC([C@@H](C)NC(=O)[C@H]2CCC(C)=C(C)C2)C1 ZINC000969735832 613531239 /nfs/dbraw/zinc/53/12/39/613531239.db2.gz WSXMVUUBUDQXNS-CVEARBPZSA-N 0 1 288.435 2.583 20 30 CFEDMN CC#CCN1CC[C@@H](C)[C@@H](NC(=O)CC2CC(C)(C)C2)C1 ZINC000967997851 613571835 /nfs/dbraw/zinc/57/18/35/613571835.db2.gz WQQUBHMACGEXOF-ZBFHGGJFSA-N 0 1 290.451 2.663 20 30 CFEDMN CC#CCN1CC[C@@H](C)[C@H](NC(=O)c2ccc(CC)cc2)C1 ZINC000968606302 613575581 /nfs/dbraw/zinc/57/55/81/613575581.db2.gz GQYWLBHANYYQCQ-CRAIPNDOSA-N 0 1 298.430 2.713 20 30 CFEDMN CC#CCN1CC[C@H](C)[C@H](NC(=O)C2(C)CCCCC2)C1 ZINC000968191574 613592836 /nfs/dbraw/zinc/59/28/36/613592836.db2.gz OACAQWAMYAVKPO-JKSUJKDBSA-N 0 1 290.451 2.807 20 30 CFEDMN CC#CCN1CC[C@H](C)[C@H](NC(=O)C=C2CCCCC2)C1 ZINC000965449419 613593295 /nfs/dbraw/zinc/59/32/95/613593295.db2.gz OIMIOKIJQYOGJQ-DOTOQJQBSA-N 0 1 288.435 2.727 20 30 CFEDMN CC#CCN1CC[C@H](C)[C@H](NC(=O)c2c(C)cccc2C)C1 ZINC000968345981 613593578 /nfs/dbraw/zinc/59/35/78/613593578.db2.gz QIPGYQPGFYSFIN-WMLDXEAASA-N 0 1 298.430 2.767 20 30 CFEDMN C=CCN1CC([C@@H](C)NC(=O)[C@@H]2C[C@H]2CC(C)(C)C)C1 ZINC000969704884 613662969 /nfs/dbraw/zinc/66/29/69/613662969.db2.gz QXOUVSXHJGBSGX-VNHYZAJKSA-N 0 1 278.440 2.681 20 30 CFEDMN C=CCN1CC([C@@H](C)NC(=O)c2c(F)cc(C)cc2F)C1 ZINC000970115536 613663958 /nfs/dbraw/zinc/66/39/58/613663958.db2.gz FBCNRPJCWCCQIF-LLVKDONJSA-N 0 1 294.345 2.509 20 30 CFEDMN C=CCN1CC([C@@H](C)NC(=O)c2c(C)oc3ccccc32)C1 ZINC000969734491 613664302 /nfs/dbraw/zinc/66/43/02/613664302.db2.gz POJFCRVGVBAECL-GFCCVEGCSA-N 0 1 298.386 2.977 20 30 CFEDMN C=CCN1CC([C@@H](C)NC(=O)c2ccc(Cl)cc2F)C1 ZINC000970093781 613665222 /nfs/dbraw/zinc/66/52/22/613665222.db2.gz RMLULKMVERLYTB-SNVBAGLBSA-N 0 1 296.773 2.715 20 30 CFEDMN C=CCN1CC([C@@H](C)NC(=O)c2ccc(C)c(F)c2F)C1 ZINC000970462462 613665513 /nfs/dbraw/zinc/66/55/13/613665513.db2.gz SRBSWLOQOVSQNC-LLVKDONJSA-N 0 1 294.345 2.509 20 30 CFEDMN C=CCN1CC([C@H](C)NC(=O)c2c(F)ccc(C)c2F)C1 ZINC000970373440 613670469 /nfs/dbraw/zinc/67/04/69/613670469.db2.gz AXHZOJIPXLBRCK-NSHDSACASA-N 0 1 294.345 2.509 20 30 CFEDMN C=CCN1CC([C@H](C)NC(=O)c2ccc3occc3c2)C1 ZINC000969724811 613671957 /nfs/dbraw/zinc/67/19/57/613671957.db2.gz HNCVOVXAJVUCCZ-LBPRGKRZSA-N 0 1 284.359 2.669 20 30 CFEDMN C=CCN1CCCN(C(=O)C2[C@H]3CCCCCC[C@H]23)CC1 ZINC000982025124 613688357 /nfs/dbraw/zinc/68/83/57/613688357.db2.gz YILZXOSIDDGUAG-HOTGVXAUSA-N 0 1 290.451 2.923 20 30 CFEDMN C=CCN1CCCN(C(=O)C2(CC)CCCC2)CC1 ZINC000983453010 613688681 /nfs/dbraw/zinc/68/86/81/613688681.db2.gz ARMUHAJJJOKCJD-UHFFFAOYSA-N 0 1 264.413 2.677 20 30 CFEDMN C=CCN1CCCN(C(=O)Cc2cc(C)cc(C)c2)CC1 ZINC000981868520 613690195 /nfs/dbraw/zinc/69/01/95/613690195.db2.gz YTUHTJVARNCEJY-UHFFFAOYSA-N 0 1 286.419 2.566 20 30 CFEDMN C=CCN1CCCN(C(=O)[C@@H]2CCCC[C@H]2C2CC2)CC1 ZINC000981684653 613691824 /nfs/dbraw/zinc/69/18/24/613691824.db2.gz IWHMZOJFSZLUQJ-DLBZAZTESA-N 0 1 290.451 2.923 20 30 CFEDMN C=CCN1CCCN(C(=O)c2ccc(Cl)cc2C)CC1 ZINC000981869339 613696992 /nfs/dbraw/zinc/69/69/92/613696992.db2.gz SYNWWASRGAQFPS-UHFFFAOYSA-N 0 1 292.810 2.982 20 30 CFEDMN C=CCN1CC[C@@H](C)[C@@H](NC(=O)c2c(C)oc(C)c2C)C1 ZINC000967282918 613728994 /nfs/dbraw/zinc/72/89/94/613728994.db2.gz CXYCUVLACGIJNU-ABAIWWIYSA-N 0 1 290.407 2.831 20 30 CFEDMN C=CCN1CC[C@@H](C)[C@@H](NC(=O)c2cccc(C)c2)C1 ZINC000964841282 613730132 /nfs/dbraw/zinc/73/01/32/613730132.db2.gz YLGRDNALDOTREA-ZBFHGGJFSA-N 0 1 272.392 2.621 20 30 CFEDMN C=CCN1CC[C@@H](C)[C@@H](NC(=O)c2ccccc2Cl)C1 ZINC000968574221 613730357 /nfs/dbraw/zinc/73/03/57/613730357.db2.gz DQTWZTFOOHEFTD-DOMZBBRYSA-N 0 1 292.810 2.966 20 30 CFEDMN C=CCN1CC[C@@H](C)[C@@H](NC(=O)c2sc(C)cc2C)C1 ZINC000966418429 613731868 /nfs/dbraw/zinc/73/18/68/613731868.db2.gz FGXRNWZLPSPESE-RISCZKNCSA-N 0 1 292.448 2.991 20 30 CFEDMN C=CCN1CC[C@@H](C)[C@H](NC(=O)c2cscc2C)C1 ZINC000965862853 613736820 /nfs/dbraw/zinc/73/68/20/613736820.db2.gz QKWSFTNDYXGSJD-BXUZGUMPSA-N 0 1 278.421 2.683 20 30 CFEDMN C=CCN1CC[C@H](C)[C@@H](NC(=O)CC2CCCCC2)C1 ZINC000964904241 613767169 /nfs/dbraw/zinc/76/71/69/613767169.db2.gz MKJOHXNZYTZYHI-HOCLYGCPSA-N 0 1 278.440 2.969 20 30 CFEDMN C=CCN1CC[C@H](C)[C@@H](NC(=O)c2cc[nH]c2CCC)C1 ZINC000967941908 613768930 /nfs/dbraw/zinc/76/89/30/613768930.db2.gz GAWIOBNUZDMRES-BBRMVZONSA-N 0 1 289.423 2.593 20 30 CFEDMN C=CCN1CC[C@H](C)[C@H](NC(=O)C(F)=C2CCCC2)C1 ZINC000965894169 613771736 /nfs/dbraw/zinc/77/17/36/613771736.db2.gz DEYNDHVACBLMIV-GXTWGEPZSA-N 0 1 280.387 2.797 20 30 CFEDMN C=CCN1CC[C@H](C)[C@H](NC(=O)c2cc(C)c(C)s2)C1 ZINC000968627026 613773129 /nfs/dbraw/zinc/77/31/29/613773129.db2.gz GHXDNIJFEFTXFM-SMDDNHRTSA-N 0 1 292.448 2.991 20 30 CFEDMN C=CCN1CC[C@H](C)[C@H](NC(=O)c2ccc(C)cc2F)C1 ZINC000968354289 613773374 /nfs/dbraw/zinc/77/33/74/613773374.db2.gz PXLRADGZWMWOPF-XJKSGUPXSA-N 0 1 290.382 2.760 20 30 CFEDMN C=CCN1CC[C@H](C)[C@H](NC(=O)c2cc[nH]c2CCC)C1 ZINC000967941911 613773589 /nfs/dbraw/zinc/77/35/89/613773589.db2.gz GAWIOBNUZDMRES-XJKSGUPXSA-N 0 1 289.423 2.593 20 30 CFEDMN C=CCN1CC[C@H](C)[C@H](NC(=O)c2ccn3ccccc23)C1 ZINC000967314664 613773992 /nfs/dbraw/zinc/77/39/92/613773992.db2.gz PAPBOTXZIFZRJS-GOEBONIOSA-N 0 1 297.402 2.566 20 30 CFEDMN C=CCN1C[C@@H](NC(=O)[C@@H](C)c2ccccc2)C(C)(C)C1 ZINC000977495807 613807895 /nfs/dbraw/zinc/80/78/95/613807895.db2.gz GMAVHOZJZKCMOA-GOEBONIOSA-N 0 1 286.419 2.803 20 30 CFEDMN C=CCN1C[C@@H](NC(=O)c2ccc(Cl)o2)C(C)(C)C1 ZINC000972812915 613810222 /nfs/dbraw/zinc/81/02/22/613810222.db2.gz DNDUGRXFPUQJBR-LLVKDONJSA-N 0 1 282.771 2.559 20 30 CFEDMN C=CCN1C[C@H](NC(=O)C2(c3ccccc3)CC2)C(C)(C)C1 ZINC000977557173 613826336 /nfs/dbraw/zinc/82/63/36/613826336.db2.gz LQAPSZRUXNUILA-INIZCTEOSA-N 0 1 298.430 2.731 20 30 CFEDMN C=CCN1C[C@H](NC(=O)C2CCC3(CC3)CC2)C(C)(C)C1 ZINC000974844887 613826528 /nfs/dbraw/zinc/82/65/28/613826528.db2.gz RDTZBPKCSDPYHL-HNNXBMFYSA-N 0 1 290.451 2.969 20 30 CFEDMN C=CCN1C[C@H](NC(=O)c2cc(C)c(C)s2)C(C)(C)C1 ZINC000977566693 613828455 /nfs/dbraw/zinc/82/84/55/613828455.db2.gz MOCGNEMVNVHKNU-AWEZNQCLSA-N 0 1 292.448 2.991 20 30 CFEDMN C=CCN1C[C@H](NC(=O)c2cc(F)ccc2F)C(C)(C)C1 ZINC000974688167 613828633 /nfs/dbraw/zinc/82/86/33/613828633.db2.gz IADSJMRNEARMLY-AWEZNQCLSA-N 0 1 294.345 2.591 20 30 CFEDMN C=CCN1C[C@H](NC(=O)c2ccc(CF)cc2)C(C)(C)C1 ZINC000977643478 613828893 /nfs/dbraw/zinc/82/88/93/613828893.db2.gz MLSFPIMOMLHGPH-HNNXBMFYSA-N 0 1 290.382 2.782 20 30 CFEDMN C=CCN1C[C@H](NC(=O)c2cccc3[nH]ccc32)C(C)(C)C1 ZINC000975062575 613829075 /nfs/dbraw/zinc/82/90/75/613829075.db2.gz GLHJUOOYIMCZHI-INIZCTEOSA-N 0 1 297.402 2.794 20 30 CFEDMN CC(C)C(=O)N[C@@H]1CCN(CC#Cc2ccccc2)C[C@H]1C ZINC000941832033 613924842 /nfs/dbraw/zinc/92/48/42/613924842.db2.gz KSKXHVOBBBNTKB-SJLPKXTDSA-N 0 1 298.430 2.521 20 30 CFEDMN CC(C)[C@@H](C)C(=O)N1CC[C@@H](NCc2ccccc2C#N)C1 ZINC000970153698 614084831 /nfs/dbraw/zinc/08/48/31/614084831.db2.gz BGHWNAMYXRCACG-RHSMWYFYSA-N 0 1 299.418 2.541 20 30 CFEDMN CCOC(=O)C/N=C\c1cc(Cl)cc(Cl)c1O ZINC000255111574 617964164 /nfs/dbraw/zinc/96/41/64/617964164.db2.gz PGPLPURVRVSIGT-RZNTYIFUSA-N 0 1 276.119 2.681 20 30 CFEDMN CC(N=Nc1ccnc(F)c1)c1cn2c(n1)CCCC2 ZINC000807982906 618030882 /nfs/dbraw/zinc/03/08/82/618030882.db2.gz RXXZPKFPSHELTA-UHFFFAOYSA-N 0 1 273.315 2.590 20 30 CFEDMN C=CC[C@@H]1CCN1[C@@H]1CCc2ccccc2NC1=O ZINC000934463004 618041861 /nfs/dbraw/zinc/04/18/61/618041861.db2.gz VPNMQOYFVZOEJU-UKRRQHHQSA-N 0 1 256.349 2.590 20 30 CFEDMN N#CC(C(=O)NCc1ccccc1)C(=O)C1CCCCC1 ZINC000049486095 617606335 /nfs/dbraw/zinc/60/63/35/617606335.db2.gz QSQBCFNQPSZYAD-OAHLLOKOSA-N 0 1 284.359 2.592 20 30 CFEDMN C=CC(C)(C)NC(=O)NC[C@H](c1cccs1)N(C)C ZINC000891509676 617642073 /nfs/dbraw/zinc/64/20/73/617642073.db2.gz UHVLEEPRPRTMCK-LLVKDONJSA-N 0 1 281.425 2.615 20 30 CFEDMN C=CC[C@@H]1CCN1C(=O)[C@@H](C)N1CCc2ccccc2C1 ZINC000890557680 617651167 /nfs/dbraw/zinc/65/11/67/617651167.db2.gz DTXMVHPBKWTZMJ-RHSMWYFYSA-N 0 1 284.403 2.610 20 30 CFEDMN CCN(C[C@H](C)C#N)C[C@H]1C[C@@H](NC(=O)OC(C)(C)C)C1 ZINC000891716806 617725375 /nfs/dbraw/zinc/72/53/75/617725375.db2.gz WURUCHGNMVPWEF-MCIONIFRSA-N 0 1 295.427 2.771 20 30 CFEDMN C#C[C@@H]1CCCCN1C(=O)c1ccc(CN(CC)CC)o1 ZINC000890648873 617733868 /nfs/dbraw/zinc/73/38/68/617733868.db2.gz TYHVIUVIODVKSI-CQSZACIVSA-N 0 1 288.391 2.749 20 30 CFEDMN CCC(=O)CCCN(C)Cc1cc(C#N)cs1 ZINC000933772836 617775197 /nfs/dbraw/zinc/77/51/97/617775197.db2.gz WONBOBVYPLQXTN-UHFFFAOYSA-N 0 1 250.367 2.811 20 30 CFEDMN O=[N+]([O-])c1ccccc1NN=Cc1cnn(C2CCC2)c1 ZINC000901123884 620753860 /nfs/dbraw/zinc/75/38/60/620753860.db2.gz RWBFLKRAYOJBBX-UHFFFAOYSA-N 0 1 285.307 2.962 20 30 CFEDMN C[C@H](N[C@@H]1CCc2cc(C#N)ccc21)c1ccnnc1 ZINC000926318161 617893897 /nfs/dbraw/zinc/89/38/97/617893897.db2.gz UZFORJQYWQEKAR-MEDUHNTESA-N 0 1 264.332 2.686 20 30 CFEDMN C=C[C@H](CC)CC(=O)Nc1cc(CN(C)C)ccn1 ZINC000934160661 617925837 /nfs/dbraw/zinc/92/58/37/617925837.db2.gz XAVNOPNXTJDYQO-GFCCVEGCSA-N 0 1 261.369 2.684 20 30 CFEDMN N#Cc1cc(CN2CCC(c3c[nH]cn3)CC2)cs1 ZINC000892053482 617927659 /nfs/dbraw/zinc/92/76/59/617927659.db2.gz WJZAQGVZYMHHBG-UHFFFAOYSA-N 0 1 272.377 2.722 20 30 CFEDMN C=C(C)c1cccc(NC(=O)[C@@H]2CCCc3n[nH]nc32)c1 ZINC000890890482 617935947 /nfs/dbraw/zinc/93/59/47/617935947.db2.gz WHIRWXRNQOUKSW-CYBMUJFWSA-N 0 1 282.347 2.896 20 30 CFEDMN Cc1ccnc(N=NCc2cnn(C3CCC3)c2)c1 ZINC000901198286 620763694 /nfs/dbraw/zinc/76/36/94/620763694.db2.gz KDXHGBZEEAGVPH-UHFFFAOYSA-N 0 1 255.325 2.758 20 30 CFEDMN N#Cc1cccc(/C=C\C(=O)c2cc(O)ccc2O)c1 ZINC000255076476 617948490 /nfs/dbraw/zinc/94/84/90/617948490.db2.gz ZZCLZDFKKSAQCJ-XQRVVYSFSA-N 0 1 265.268 2.866 20 30 CFEDMN Oc1ccccc1/C=N\CCN1CCc2ccccc2C1 ZINC000255472060 617965819 /nfs/dbraw/zinc/96/58/19/617965819.db2.gz WPYRHXSQHXXUDM-UYRXBGFRSA-N 0 1 280.371 2.869 20 30 CFEDMN C#C[C@@H](NC(=O)[C@@H](c1ccccc1)N(C)CC)C(C)(C)C ZINC000807884712 617976936 /nfs/dbraw/zinc/97/69/36/617976936.db2.gz VFPJXKPYVYNSAY-HZPDHXFCSA-N 0 1 286.419 2.844 20 30 CFEDMN Fc1cccc(NN=Cc2cnn(C3CCC3)c2)n1 ZINC000901237541 620769316 /nfs/dbraw/zinc/76/93/16/620769316.db2.gz UXPJKGRAOOULLD-UHFFFAOYSA-N 0 1 259.288 2.588 20 30 CFEDMN C#CC[N@H+]1CC[C@H]2[C@H](CCCN2C(=O)CC2CCCC2)C1 ZINC001021509174 618035516 /nfs/dbraw/zinc/03/55/16/618035516.db2.gz PIDHWUWMADKMMQ-SJORKVTESA-N 0 1 288.435 2.513 20 30 CFEDMN C=CC[C@H]1CCN1[C@@H](C)C(=O)N(C)c1ccccc1 ZINC000934470935 618045702 /nfs/dbraw/zinc/04/57/02/618045702.db2.gz HHIQQWVDCDCFAC-ZFWWWQNUSA-N 0 1 258.365 2.688 20 30 CFEDMN C=CC[C@@H]1CCN1[C@H](C)C(=O)N(C)c1ccccc1 ZINC000934470934 618046032 /nfs/dbraw/zinc/04/60/32/618046032.db2.gz HHIQQWVDCDCFAC-UKRRQHHQSA-N 0 1 258.365 2.688 20 30 CFEDMN C#CCSCC[NH2+]Cc1cc(Cl)ccc1[O-] ZINC000152955240 618076081 /nfs/dbraw/zinc/07/60/81/618076081.db2.gz OWBSIOWVTHHFBC-UHFFFAOYSA-N 0 1 255.770 2.502 20 30 CFEDMN C=CCCC[N@H+](CC)CC(=O)Nc1ccnn1CCC ZINC000934646330 618102039 /nfs/dbraw/zinc/10/20/39/618102039.db2.gz OIDQZWPEQQVWCR-UHFFFAOYSA-N 0 1 278.400 2.520 20 30 CFEDMN C=C[C@H](C)ONC(=O)[C@@H](CC)c1ccc(F)cc1 ZINC000846547289 618112272 /nfs/dbraw/zinc/11/22/72/618112272.db2.gz DERLWEVOIDWTOC-GWCFXTLKSA-N 0 1 251.301 2.942 20 30 CFEDMN C=CCN1CCC[C@H](NC(=O)C=C2CCCCC2)C1 ZINC001006835774 618135489 /nfs/dbraw/zinc/13/54/89/618135489.db2.gz URKQEZCCUKBUIU-HNNXBMFYSA-N 0 1 262.397 2.644 20 30 CFEDMN C[C@H]1CCC[C@](C#N)(NC(=O)c2cccc(F)c2O)C1 ZINC000933016635 618141030 /nfs/dbraw/zinc/14/10/30/618141030.db2.gz LTIJFCYFYVXWBW-BONVTDFDSA-N 0 1 276.311 2.734 20 30 CFEDMN C=CC[N@H+](CC(=O)[O-])Cc1ccc(C(F)F)cc1 ZINC000155927893 618153443 /nfs/dbraw/zinc/15/34/43/618153443.db2.gz CXDUKAQAMZWHSS-UHFFFAOYSA-N 0 1 255.264 2.697 20 30 CFEDMN C#CCN(C)CCOc1ccc(Cl)cc1Cl ZINC000002572673 618193616 /nfs/dbraw/zinc/19/36/16/618193616.db2.gz ZADNYQATZCKUFO-UHFFFAOYSA-N 0 1 258.148 2.937 20 30 CFEDMN COC(=O)c1ccc(/C=C\C(=O)c2ccccc2O)o1 ZINC000255332010 618202933 /nfs/dbraw/zinc/20/29/33/618202933.db2.gz DIZYLQWWEFVSSA-VURMDHGXSA-N 0 1 272.256 2.668 20 30 CFEDMN CC(C)(C)SCC(=O)Nc1cc(C#N)ccc1O ZINC000176816556 618205421 /nfs/dbraw/zinc/20/54/21/618205421.db2.gz FXFRTXHJJHKXHL-UHFFFAOYSA-N 0 1 264.350 2.734 20 30 CFEDMN N#Cc1ccc(O)c(NC(=O)c2cccc(F)c2F)c1 ZINC000176820387 618205682 /nfs/dbraw/zinc/20/56/82/618205682.db2.gz VYOUWRFJLQPRRN-UHFFFAOYSA-N 0 1 274.226 2.794 20 30 CFEDMN Cc1ccc(C(=O)Nc2cc(C#N)ccc2O)s1 ZINC000176829059 618207533 /nfs/dbraw/zinc/20/75/33/618207533.db2.gz YVUSAWXWKITWMS-UHFFFAOYSA-N 0 1 258.302 2.886 20 30 CFEDMN C#C[C@H](NCc1cc(Cl)cs1)[C@H]1CCCO1 ZINC000309647960 618227082 /nfs/dbraw/zinc/22/70/82/618227082.db2.gz RGBDBGAEIHFUQJ-NWDGAFQWSA-N 0 1 255.770 2.672 20 30 CFEDMN CC(=NN[C@@H]1CCCC[C@H]1O)c1ccc(F)cc1N(C)C ZINC000901339215 620788444 /nfs/dbraw/zinc/78/84/44/620788444.db2.gz PAQPJUNVGZHFSZ-GDBMZVCRSA-N 0 1 293.386 2.509 20 30 CFEDMN C#C[C@H](N[C@H](C)c1ccnc(Cl)c1)[C@@H]1CCCO1 ZINC000775574890 618280589 /nfs/dbraw/zinc/28/05/89/618280589.db2.gz SYAMAEBPFXOFAI-WXHSDQCUSA-N 0 1 264.756 2.566 20 30 CFEDMN C=C1CCC(C(=O)N[C@H](c2nnc[nH]2)c2ccccc2)CC1 ZINC000901349000 620792269 /nfs/dbraw/zinc/79/22/69/620792269.db2.gz QRECTYXQIOAXEC-HNNXBMFYSA-N 0 1 296.374 2.757 20 30 CFEDMN CCN1[C@H](C)CN(c2nc(C#N)c(Cl)s2)C[C@@H]1C ZINC000895101223 618293787 /nfs/dbraw/zinc/29/37/87/618293787.db2.gz AWFUOYLYWIWGQX-DTORHVGOSA-N 0 1 284.816 2.587 20 30 CFEDMN C=C(C)C[N@H+]1CCCC[C@H]1CNC(=O)c1cccc(C)n1 ZINC001024327341 618295830 /nfs/dbraw/zinc/29/58/30/618295830.db2.gz XOUFKFNNPJZXSV-HNNXBMFYSA-N 0 1 287.407 2.550 20 30 CFEDMN C=CCN1CCCC[C@@H]1CNC(=O)C1C(C)(C)C1(C)C ZINC001024378619 618306450 /nfs/dbraw/zinc/30/64/50/618306450.db2.gz NEQWZDCPRSVIOB-CYBMUJFWSA-N 0 1 278.440 2.825 20 30 CFEDMN C=C(C)C[N@H+]1CCCC[C@H]1CNC(=O)C1=CCCC1 ZINC001024391964 618308734 /nfs/dbraw/zinc/30/87/34/618308734.db2.gz IVHOVUTYFSLMMH-HNNXBMFYSA-N 0 1 262.397 2.644 20 30 CFEDMN C=CCN1CCCC[C@@H]1CNC(=O)c1cc2occc2[nH]1 ZINC001024463770 618322803 /nfs/dbraw/zinc/32/28/03/618322803.db2.gz YXEXIVOOANBJKE-GFCCVEGCSA-N 0 1 287.363 2.531 20 30 CFEDMN Cc1cc(C(C#N)C(=O)C[C@@H]2C[C@H]2C2CC2)nc(C)n1 ZINC000892474461 618335676 /nfs/dbraw/zinc/33/56/76/618335676.db2.gz CWOFJEGVLYNRST-IHRRRGAJSA-N 0 1 269.348 2.706 20 30 CFEDMN C=CCN1CCCC[C@H]1CNC(=O)[C@@H]1CCCC12CC2 ZINC001024507562 618339386 /nfs/dbraw/zinc/33/93/86/618339386.db2.gz WMWPSCRETVYOMW-GJZGRUSLSA-N 0 1 276.424 2.723 20 30 CFEDMN N#Cc1ccc(O)c(NC(=O)/C=C/c2ccco2)c1 ZINC000179737647 618344063 /nfs/dbraw/zinc/34/40/63/618344063.db2.gz AATCYVXJQJJULO-GQCTYLIASA-N 0 1 254.245 2.509 20 30 CFEDMN C=CC[N@@H+]1CCCC[C@H]1CNC(=O)c1cc(C(C)C)on1 ZINC001024580768 618392907 /nfs/dbraw/zinc/39/29/07/618392907.db2.gz YZTOGHHWVCVIAY-ZDUSSCGKSA-N 0 1 291.395 2.568 20 30 CFEDMN C=CCN1CCCC[C@H]1CNC(=O)c1cc(C(C)C)on1 ZINC001024580768 618392915 /nfs/dbraw/zinc/39/29/15/618392915.db2.gz YZTOGHHWVCVIAY-ZDUSSCGKSA-N 0 1 291.395 2.568 20 30 CFEDMN CC(C)NC(=O)[C@@H](C#N)C(=O)CC(C)(C)CC(F)(F)F ZINC000892501110 618401277 /nfs/dbraw/zinc/40/12/77/618401277.db2.gz JUTOQYQXBBODQB-VIFPVBQESA-N 0 1 292.301 2.589 20 30 CFEDMN Cc1cc(C#N)ccc1NCc1n[nH]c(C(C)(C)C)n1 ZINC000894161636 618405617 /nfs/dbraw/zinc/40/56/17/618405617.db2.gz KBNKYTJPMLONJB-UHFFFAOYSA-N 0 1 269.352 2.894 20 30 CFEDMN C=CCN1CCCC[C@H]1CNC(=O)C1CC2(CCC2)C1 ZINC001024602060 618409166 /nfs/dbraw/zinc/40/91/66/618409166.db2.gz QPJAVZCKHVSZDX-HNNXBMFYSA-N 0 1 276.424 2.723 20 30 CFEDMN C=C(C)CN1CCCC[C@H]1CNC(=O)c1cc(C)co1 ZINC001024611930 618417109 /nfs/dbraw/zinc/41/71/09/618417109.db2.gz JEEPJXDHLRRDDN-AWEZNQCLSA-N 0 1 276.380 2.748 20 30 CFEDMN C=CCN1CCCC[C@H]1CNC(=O)c1cc[nH]c1C(C)C ZINC001024615884 618422585 /nfs/dbraw/zinc/42/25/85/618422585.db2.gz KLZYNLYWQCVFOX-AWEZNQCLSA-N 0 1 289.423 2.908 20 30 CFEDMN C=CCCONC(=O)[C@H]1CCCc2sccc21 ZINC000856031909 618422920 /nfs/dbraw/zinc/42/29/20/618422920.db2.gz CCNIYMTVQFPHCS-NSHDSACASA-N 0 1 251.351 2.792 20 30 CFEDMN C=CCN1CCCC[C@H]1CNC(=O)c1cccc(F)c1F ZINC001024621356 618423860 /nfs/dbraw/zinc/42/38/60/618423860.db2.gz LBORTUBDGZPOBY-LBPRGKRZSA-N 0 1 294.345 2.735 20 30 CFEDMN C=CCN1CCCC[C@H]1CNC(=O)c1ccc(F)c(C)c1 ZINC001024625544 618424628 /nfs/dbraw/zinc/42/46/28/618424628.db2.gz PQLBBODVEPQPPN-HNNXBMFYSA-N 0 1 290.382 2.904 20 30 CFEDMN C#C[C@H]1CCCN(Cc2cnn(CC3CCC3)c2)C1 ZINC000895201337 618467144 /nfs/dbraw/zinc/46/71/44/618467144.db2.gz BPKZUXLEXQBSTN-AWEZNQCLSA-N 0 1 257.381 2.528 20 30 CFEDMN CC#CCN1CCCC[C@@H]1CNC(=O)c1ccc(C)cc1 ZINC001024774123 618467505 /nfs/dbraw/zinc/46/75/05/618467505.db2.gz NONYLZWHPOTXKR-QGZVFWFLSA-N 0 1 284.403 2.603 20 30 CFEDMN C=CCN1CCCC[C@H]1CNC(=O)C1CCC=CCC1 ZINC001024804887 618474610 /nfs/dbraw/zinc/47/46/10/618474610.db2.gz JRBZUJJVPWRMOG-INIZCTEOSA-N 0 1 276.424 2.890 20 30 CFEDMN Cc1ccc([N-]N=C2c3cc(C)cc(C)c3NC2=O)[nH+]c1 ZINC000727259522 618475625 /nfs/dbraw/zinc/47/56/25/618475625.db2.gz FZNJHHACGBOCSG-UHFFFAOYSA-N 0 1 280.331 2.775 20 30 CFEDMN Cc1ccc(NN=C2CCc3c2cccc3O)nc1 ZINC000727259881 618475736 /nfs/dbraw/zinc/47/57/36/618475736.db2.gz MKMJCKWSLLHIME-UHFFFAOYSA-N 0 1 253.305 2.858 20 30 CFEDMN N#CC[C@H]1CCCN(Cc2ccc3oc(=O)oc3c2)C1 ZINC000895228829 618484540 /nfs/dbraw/zinc/48/45/40/618484540.db2.gz QZZFXQSKDMLLEJ-LLVKDONJSA-N 0 1 272.304 2.512 20 30 CFEDMN N#CC[C@@H]1CCC[N@H+](Cc2cc(F)cc(F)c2[O-])C1 ZINC000895227479 618485877 /nfs/dbraw/zinc/48/58/77/618485877.db2.gz BIWBIAIDWGUFEU-JTQLQIEISA-N 0 1 266.291 2.796 20 30 CFEDMN C=CCOc1cccc(CNC[C@@H]2CC(C)=NO2)c1 ZINC000895311755 618527051 /nfs/dbraw/zinc/52/70/51/618527051.db2.gz QXMONOQGBVZDDQ-HNNXBMFYSA-N 0 1 260.337 2.506 20 30 CFEDMN C=CCCCNC(=O)c1ccc(CN2CCCCC2)o1 ZINC000935724706 618626159 /nfs/dbraw/zinc/62/61/59/618626159.db2.gz MBSUQCVCHAJKTM-UHFFFAOYSA-N 0 1 276.380 2.962 20 30 CFEDMN C#CCCN1C[C@H]2CC[C@@H](C1)N2C(=O)C[C@H]1CCC[C@H]1C ZINC001017577205 618665977 /nfs/dbraw/zinc/66/59/77/618665977.db2.gz HCACFCJAQAJQAO-VQHPVUNQSA-N 0 1 288.435 2.511 20 30 CFEDMN C=C(C)CN1C[C@H]2CC[C@@H](C1)N2C(=O)C[C@@H]1CC=CCC1 ZINC001017800001 618670902 /nfs/dbraw/zinc/67/09/02/618670902.db2.gz JURVVVSJURWLPC-ZACQAIPSSA-N 0 1 288.435 2.984 20 30 CFEDMN C[C@H]1C[C@H](Nc2cc(C#N)sc2[N+](=O)[O-])CN1C1CC1 ZINC000892876009 618761887 /nfs/dbraw/zinc/76/18/87/618761887.db2.gz MQUDSOKWUYPYHJ-IUCAKERBSA-N 0 1 292.364 2.565 20 30 CFEDMN C#CCOCCSc1nnc(CCC2CCCC2)[nH]1 ZINC000853015185 618787580 /nfs/dbraw/zinc/78/75/80/618787580.db2.gz VVGJUKFRVVIKKB-UHFFFAOYSA-N 0 1 279.409 2.669 20 30 CFEDMN C#CCOCCSc1nc(CCC2CCCC2)n[nH]1 ZINC000853015185 618787582 /nfs/dbraw/zinc/78/75/82/618787582.db2.gz VVGJUKFRVVIKKB-UHFFFAOYSA-N 0 1 279.409 2.669 20 30 CFEDMN C#CCOc1ccccc1CNCc1cnn(C)c1C1CC1 ZINC000892972719 618788061 /nfs/dbraw/zinc/78/80/61/618788061.db2.gz LCFUQIIVLACRBQ-UHFFFAOYSA-N 0 1 295.386 2.599 20 30 CFEDMN N#Cc1cc(Cl)cc(CN2CCC[C@@H](O)CC2)c1 ZINC000930589159 618876192 /nfs/dbraw/zinc/87/61/92/618876192.db2.gz JMKDQBZVVWFALW-CQSZACIVSA-N 0 1 264.756 2.558 20 30 CFEDMN CCC[C@@H](C#N)NC(=O)c1cccc2nc(C(F)F)[nH]c21 ZINC000931329836 618947756 /nfs/dbraw/zinc/94/77/56/618947756.db2.gz YEDPJGNAPITZLF-QMMMGPOBSA-N 0 1 292.289 2.923 20 30 CFEDMN Cn1ccnc1CN=Nc1ccccc1OC(F)(F)F ZINC000777453428 618958183 /nfs/dbraw/zinc/95/81/83/618958183.db2.gz PIBMSBDOZDOFEW-UHFFFAOYSA-N 0 1 284.241 2.765 20 30 CFEDMN C=C(C)CN1CCC[C@H](NC(=O)c2ccsc2)C1 ZINC001006679023 618974896 /nfs/dbraw/zinc/97/48/96/618974896.db2.gz NARGOCLWCJGKCB-ZDUSSCGKSA-N 0 1 264.394 2.518 20 30 CFEDMN C#CCC[N@@H+]1CCC[C@H](NC(=O)C2(C)CCC(C)CC2)C1 ZINC001009691464 619013764 /nfs/dbraw/zinc/01/37/64/619013764.db2.gz MYYSDWLHCCOVBW-PQUAAJSLSA-N 0 1 290.451 2.807 20 30 CFEDMN N#CCC1CCN(Cc2cnn(C3CCC3)c2)CC1 ZINC000893489145 619017096 /nfs/dbraw/zinc/01/70/96/619017096.db2.gz YISGVOVNTOVTCQ-UHFFFAOYSA-N 0 1 258.369 2.734 20 30 CFEDMN C=CCN1CCC[C@@H](NC(=O)C2(c3ccccc3C)CC2)C1 ZINC001009726597 619020543 /nfs/dbraw/zinc/02/05/43/619020543.db2.gz VGEWWXDPTYBCLW-MRXNPFEDSA-N 0 1 298.430 2.793 20 30 CFEDMN CC(C)CCN(CCC#N)C(=O)c1cccc(F)c1O ZINC000931942939 619165769 /nfs/dbraw/zinc/16/57/69/619165769.db2.gz YUFUAJCGNFSBSD-UHFFFAOYSA-N 0 1 278.327 2.933 20 30 CFEDMN CC(=NNCCN1CCCCC1)c1sc(C)nc1C ZINC000726737263 619259274 /nfs/dbraw/zinc/25/92/74/619259274.db2.gz MTMXNHWRTXCFFG-UHFFFAOYSA-N 0 1 280.441 2.559 20 30 CFEDMN CC(=[NH+][N-]c1cc(C)nc(C)n1)c1cc(N)ccc1F ZINC000814807357 619259842 /nfs/dbraw/zinc/25/98/42/619259842.db2.gz QQDUVCATDSVKFQ-UHFFFAOYSA-N 0 1 273.315 2.651 20 30 CFEDMN N#C[C@@H](C(=O)CC1CCCCC1)C(=O)NC1CCCC1 ZINC000048555061 619355114 /nfs/dbraw/zinc/35/51/14/619355114.db2.gz CHQOQLHFDSVNCF-AWEZNQCLSA-N 0 1 276.380 2.724 20 30 CFEDMN Cc1cc(C#N)ccc1N1CCC[C@@H](N2CCOCC2)CC1 ZINC000894437316 619385135 /nfs/dbraw/zinc/38/51/35/619385135.db2.gz XGKHQHPLIQQARY-QGZVFWFLSA-N 0 1 299.418 2.558 20 30 CFEDMN C#C[C@H](C)NCc1c(C)nn(-c2ccccc2C)c1C ZINC000894737700 619453012 /nfs/dbraw/zinc/45/30/12/619453012.db2.gz DVKTXRAUXLXTMO-ZDUSSCGKSA-N 0 1 267.376 2.909 20 30 CFEDMN COC(=O)[C@H](CNCc1cccc(F)c1C#N)CC(C)C ZINC000894790959 619464974 /nfs/dbraw/zinc/46/49/74/619464974.db2.gz OTGPSCBVOOALIF-ZDUSSCGKSA-N 0 1 292.354 2.622 20 30 CFEDMN CC1(C)CC[C@H](CNCc2cc(C#N)cnc2Cl)OC1 ZINC000895529118 619547825 /nfs/dbraw/zinc/54/78/25/619547825.db2.gz GDQQQEQGEXKWTB-CYBMUJFWSA-N 0 1 293.798 2.901 20 30 CFEDMN C[C@H](NC(=O)[C@H]1CCN1C(C)(C)C)c1ccc(C#N)cc1 ZINC000895637755 619574403 /nfs/dbraw/zinc/57/44/03/619574403.db2.gz NTQQEVQOPWYQEB-SWLSCSKDSA-N 0 1 285.391 2.608 20 30 CFEDMN CC(C)(NCc1nc(C#N)cs1)[C@@H](O)c1ccccc1 ZINC000895661528 619578650 /nfs/dbraw/zinc/57/86/50/619578650.db2.gz JEIWUTUOOQTMDJ-AWEZNQCLSA-N 0 1 287.388 2.617 20 30 CFEDMN N#Cc1c(F)cccc1CNC[C@@H]1CCC2(CCC2)O1 ZINC000895676914 619580264 /nfs/dbraw/zinc/58/02/64/619580264.db2.gz FBUAJPFNKQDBND-ZDUSSCGKSA-N 0 1 274.339 2.889 20 30 CFEDMN C#CCC1(O)CCN(Cc2ccc(SC)s2)CC1 ZINC000895670298 619582419 /nfs/dbraw/zinc/58/24/19/619582419.db2.gz OUJIXAYQRFEYJT-UHFFFAOYSA-N 0 1 281.446 2.820 20 30 CFEDMN C#CCN1CCC(Nc2cc3c(cccc3OC)cn2)CC1 ZINC000895810440 619609893 /nfs/dbraw/zinc/60/98/93/619609893.db2.gz DMMNNTXGKZYOQW-UHFFFAOYSA-N 0 1 295.386 2.753 20 30 CFEDMN C=CCC1(O)CCN(Cc2ccc(OCC)o2)CC1 ZINC000896058598 619663415 /nfs/dbraw/zinc/66/34/15/619663415.db2.gz OHSWDZDDWNBCOR-UHFFFAOYSA-N 0 1 265.353 2.581 20 30 CFEDMN C[C@@H](CCC#N)CN1CCS[C@@H](C(F)(F)F)C1 ZINC000896454894 619738294 /nfs/dbraw/zinc/73/82/94/619738294.db2.gz BBNACFULZKFQNW-VHSXEESVSA-N 0 1 266.332 2.906 20 30 CFEDMN Cn1ccc([C@H]2CCCN(Cc3csc(C#N)c3)C2)n1 ZINC000896487534 619744150 /nfs/dbraw/zinc/74/41/50/619744150.db2.gz HYGIODCZRCFSDS-ZDUSSCGKSA-N 0 1 286.404 2.733 20 30 CFEDMN CC(C)(Cc1ccc(C#N)cc1)NCc1csnn1 ZINC000896634112 619777139 /nfs/dbraw/zinc/77/71/39/619777139.db2.gz VWPOVMZMTINGEJ-UHFFFAOYSA-N 0 1 272.377 2.521 20 30 CFEDMN N#Cc1ccc(N[C@H]2CCCN(Cc3ccoc3)C2)nc1 ZINC000896653572 619783618 /nfs/dbraw/zinc/78/36/18/619783618.db2.gz DWSYBDKLORBGGU-HNNXBMFYSA-N 0 1 282.347 2.623 20 30 CFEDMN COc1ccc(CNCc2ccc(C)c(C#N)c2)nc1 ZINC000896879946 619855954 /nfs/dbraw/zinc/85/59/54/619855954.db2.gz JEZBTAPYQBIOCR-UHFFFAOYSA-N 0 1 267.332 2.560 20 30 CFEDMN Cc1nccc(N2CCC3(CC2)CC(=O)C=CO3)c1Cl ZINC000896880677 619856070 /nfs/dbraw/zinc/85/60/70/619856070.db2.gz KPDPEPPSQDRYIS-UHFFFAOYSA-N 0 1 292.766 2.886 20 30 CFEDMN C=C1CC(C)(c2noc(Cc3[nH]nc4c3CCCC4)n2)C1 ZINC000896916565 619886484 /nfs/dbraw/zinc/88/64/84/619886484.db2.gz ZAIBYZKKPRJJGP-UHFFFAOYSA-N 0 1 284.363 2.870 20 30 CFEDMN C=C(Cl)CN(C)C1CCN(C(=O)c2occc2C)CC1 ZINC000985267972 619937086 /nfs/dbraw/zinc/93/70/86/619937086.db2.gz WFRPYWWDIMKPHL-UHFFFAOYSA-N 0 1 296.798 2.877 20 30 CFEDMN CC#CCN(C)Cc1cn(C)nc1-c1ccccc1 ZINC000897166679 619942472 /nfs/dbraw/zinc/94/24/72/619942472.db2.gz CBABKHWIHBMRRC-UHFFFAOYSA-N 0 1 253.349 2.542 20 30 CFEDMN N#C[C@H]1CCC[C@@H]([NH2+]CCc2c(F)cc([O-])cc2F)C1 ZINC000897305591 619974005 /nfs/dbraw/zinc/97/40/05/619974005.db2.gz XYZKOLDHKFPECF-WDEREUQCSA-N 0 1 280.318 2.885 20 30 CFEDMN C=C(Cl)CN(C)C1CCN(C(=O)C[C@H]2C[C@H]2C)CC1 ZINC000985629765 620014595 /nfs/dbraw/zinc/01/45/95/620014595.db2.gz NPQXHZKRBPLMFW-DGCLKSJQSA-N 0 1 284.831 2.708 20 30 CFEDMN C=C(Cl)CN[C@H]1CCN(C(=O)CC2CCCC2)[C@H]1C ZINC000985906150 620051102 /nfs/dbraw/zinc/05/11/02/620051102.db2.gz YRDNTQDVTSFHCK-JSGCOSHPSA-N 0 1 284.831 2.898 20 30 CFEDMN C=C(Cl)CN[C@H]1CCN(C(=O)c2ccccc2C)[C@H]1C ZINC000985908481 620051361 /nfs/dbraw/zinc/05/13/61/620051361.db2.gz LHICSSADZLPHND-ZFWWWQNUSA-N 0 1 292.810 2.940 20 30 CFEDMN CC(C)CC(=O)N1CC[C@@H](NCc2ccccc2C#N)[C@H]1C ZINC000985912714 620051699 /nfs/dbraw/zinc/05/16/99/620051699.db2.gz XUVXTPVWIHKTCJ-RHSMWYFYSA-N 0 1 299.418 2.683 20 30 CFEDMN CC(C)CC(=O)N1CC[C@H](NCc2ccccc2C#N)[C@@H]1C ZINC000985912716 620051790 /nfs/dbraw/zinc/05/17/90/620051790.db2.gz XUVXTPVWIHKTCJ-YOEHRIQHSA-N 0 1 299.418 2.683 20 30 CFEDMN C=C(Cl)CN[C@@H]1CCN(C(=O)C(F)=C(C)C)[C@@H]1C ZINC000986150877 620073647 /nfs/dbraw/zinc/07/36/47/620073647.db2.gz QTBDCCFVVXZHLA-GHMZBOCLSA-N 0 1 274.767 2.581 20 30 CFEDMN C=C(Cl)CN[C@@H]1CCN(C(=O)c2ccc(CC)o2)[C@H]1C ZINC000986431442 620081155 /nfs/dbraw/zinc/08/11/55/620081155.db2.gz IATSVBJVDFLECW-WCQYABFASA-N 0 1 296.798 2.787 20 30 CFEDMN CN(Cc1ccc(C2(C#N)CC2)cc1)Cc1cccc(=O)[nH]1 ZINC000897391743 620092260 /nfs/dbraw/zinc/09/22/60/620092260.db2.gz ZRYQNTFWDHNMJF-UHFFFAOYSA-N 0 1 293.370 2.974 20 30 CFEDMN C=C(Cl)CN[C@@H]1CCN(C(=O)c2ccc(C)cc2)[C@@H]1C ZINC000987402246 620133133 /nfs/dbraw/zinc/13/31/33/620133133.db2.gz FBVHRLNBEAAPHJ-UKRRQHHQSA-N 0 1 292.810 2.940 20 30 CFEDMN C=C(Cl)CN[C@@H]1C[C@H](C)N(C(=O)C2CCCC2)C1 ZINC000987733585 620151884 /nfs/dbraw/zinc/15/18/84/620151884.db2.gz ZGEIQMYNLCZFMQ-WCQYABFASA-N 0 1 270.804 2.508 20 30 CFEDMN C=C(Cl)CN[C@@H]1C[C@@H](C)N(C(=O)/C=C(\C)C2CC2)C1 ZINC000988196141 620162666 /nfs/dbraw/zinc/16/26/66/620162666.db2.gz CIOSZMNLWZRYIQ-POAKRYCBSA-N 0 1 282.815 2.674 20 30 CFEDMN C=C(Cl)CN[C@@H]1C[C@H](C)N(C(=O)c2coc(C)c2)C1 ZINC000988696362 620215686 /nfs/dbraw/zinc/21/56/86/620215686.db2.gz BKMGRZAXOCTDCL-GXFFZTMASA-N 0 1 282.771 2.533 20 30 CFEDMN C=C(Cl)CN[C@@H]1C[C@@H](C)N(C(=O)c2ccc(CC)o2)C1 ZINC000989055816 620230400 /nfs/dbraw/zinc/23/04/00/620230400.db2.gz PLSDSXHZIXPIHH-VXGBXAGGSA-N 0 1 296.798 2.787 20 30 CFEDMN C=CCOc1ccc(CN2C[C@H](O)[C@@H](C)C2)cc1Cl ZINC000897683225 620271190 /nfs/dbraw/zinc/27/11/90/620271190.db2.gz BHQBANYRQJLJIR-FZMZJTMJSA-N 0 1 281.783 2.717 20 30 CFEDMN Cc1cc(C#N)cc(C)c1C(=O)NCCN1CC=C(C)CC1 ZINC000897893518 620299715 /nfs/dbraw/zinc/29/97/15/620299715.db2.gz POYBXGYMWROXNF-UHFFFAOYSA-N 0 1 297.402 2.557 20 30 CFEDMN C=CCC1(CNC(=O)c2cncc3nc[nH]c32)CCCC1 ZINC000897919827 620304488 /nfs/dbraw/zinc/30/44/88/620304488.db2.gz JUFABOIXTOSMSW-UHFFFAOYSA-N 0 1 284.363 2.824 20 30 CFEDMN CCO[C@]12CCC[C@@]1(NCc1csc(C#N)c1)CCO2 ZINC000897973499 620306908 /nfs/dbraw/zinc/30/69/08/620306908.db2.gz SRHCNVILHPJBMF-CABCVRRESA-N 0 1 292.404 2.785 20 30 CFEDMN C=CCN1CCCN(C(=O)[C@H](C)C2CCCC2)CC1 ZINC000989455223 620339821 /nfs/dbraw/zinc/33/98/21/620339821.db2.gz ZZTSTNRGDGTXCR-CQSZACIVSA-N 0 1 264.413 2.533 20 30 CFEDMN C=CCN1CCCN(C(=O)c2ccc3c(c2)CCC=C3)CC1 ZINC000989497998 620378650 /nfs/dbraw/zinc/37/86/50/620378650.db2.gz UWOLNLUHFNLLIW-UHFFFAOYSA-N 0 1 296.414 2.980 20 30 CFEDMN CCCCCCCC(=O)N1CCN(CC2CC2)CC1 ZINC000122029888 620382797 /nfs/dbraw/zinc/38/27/97/620382797.db2.gz HCNQFCNDTAUORZ-UHFFFAOYSA-N 0 1 266.429 2.901 20 30 CFEDMN C=C(C)CN1CCCN(C(=O)c2cc3ccccc3[nH]2)CC1 ZINC000989625442 620383999 /nfs/dbraw/zinc/38/39/99/620383999.db2.gz JGJMBBMURCNLSL-UHFFFAOYSA-N 0 1 297.402 2.892 20 30 CFEDMN C#CCCN1CCCN(C(=O)C2(C)CCC(C)CC2)CC1 ZINC000989762932 620390341 /nfs/dbraw/zinc/39/03/41/620390341.db2.gz HMCQVWRVRAAZLH-UHFFFAOYSA-N 0 1 290.451 2.760 20 30 CFEDMN C#CCOc1ccccc1CNCc1cccc([N+](=O)[O-])c1 ZINC000314827551 620418686 /nfs/dbraw/zinc/41/86/86/620418686.db2.gz FJSQOCQYBMEDMA-UHFFFAOYSA-N 0 1 296.326 2.897 20 30 CFEDMN O=C(/C=C\c1ccnn1C1CCC1)c1ccc(O)cc1O ZINC000899362506 620553656 /nfs/dbraw/zinc/55/36/56/620553656.db2.gz VVJSTBTVCAFPOU-DAXSKMNVSA-N 0 1 284.315 2.915 20 30 CFEDMN N#CCC[C@H](C#N)CNC[C@H]1CCC[C@H](C(F)(F)F)O1 ZINC000901566433 620858939 /nfs/dbraw/zinc/85/89/39/620858939.db2.gz SVLIEOMUNLXTQA-IJLUTSLNSA-N 0 1 289.301 2.520 20 30 CFEDMN C=CC[N@@H+](CC(=O)[O-])[C@@H](C)CCc1cccc(F)c1 ZINC000901586605 620862583 /nfs/dbraw/zinc/86/25/83/620862583.db2.gz OOUCAGRMZDVFMD-LBPRGKRZSA-N 0 1 265.328 2.719 20 30 CFEDMN N#CCC[C@H](C#N)CNCCc1cnc2ccccc2c1 ZINC000901571633 620866295 /nfs/dbraw/zinc/86/62/95/620866295.db2.gz FJSVOABZHQKYGE-OAHLLOKOSA-N 0 1 278.359 2.810 20 30 CFEDMN N#CCC[C@@H](C#N)CNC[C@@]1(c2ccccc2)CCCO1 ZINC000901630178 620875206 /nfs/dbraw/zinc/87/52/06/620875206.db2.gz HNBKGQYNLBZCAC-DOTOQJQBSA-N 0 1 283.375 2.725 20 30 CFEDMN C=CCC[C@H]([NH2+]Cc1nc2c(s1)CCCC2)C(=O)[O-] ZINC000901690332 620895797 /nfs/dbraw/zinc/89/57/97/620895797.db2.gz NYCWACJXDUCTKY-NSHDSACASA-N 0 1 280.393 2.531 20 30 CFEDMN C=CCCN(C)CN1CCN(Cc2ccccc2F)C1=O ZINC000902236400 621004457 /nfs/dbraw/zinc/00/44/57/621004457.db2.gz WIILRQUQCGYRJB-UHFFFAOYSA-N 0 1 291.370 2.529 20 30 CFEDMN C#CC[C@H]1CCC[N@H+](Cc2ccc(/C=C\C(=O)[O-])o2)C1 ZINC000902441973 621080900 /nfs/dbraw/zinc/08/09/00/621080900.db2.gz DQKAZWNLBXPISF-YXVBKTCISA-N 0 1 273.332 2.613 20 30 CFEDMN C=CC[C@@H]1CC[N@H+](Cc2cc(C(=O)[O-])c(CC)o2)C1 ZINC000902491164 621103014 /nfs/dbraw/zinc/10/30/14/621103014.db2.gz XJPOVSKPODVYPW-LLVKDONJSA-N 0 1 263.337 2.938 20 30 CFEDMN C=CCC[C@@H](NCc1nncn1CC)[C@]1(C)CCCCO1 ZINC000902746908 621163817 /nfs/dbraw/zinc/16/38/17/621163817.db2.gz AJZWRFTXQBIVPQ-ZBFHGGJFSA-N 0 1 292.427 2.682 20 30 CFEDMN COCc1cccc(CN[C@@H](C)c2cc(C#N)ccn2)c1 ZINC000902748356 621164125 /nfs/dbraw/zinc/16/41/25/621164125.db2.gz LIFQPCNNCPTJNZ-ZDUSSCGKSA-N 0 1 281.359 2.950 20 30 CFEDMN C[C@H](NCc1ccc2c(c1)CCO2)c1cc(C#N)ccn1 ZINC000902785495 621168325 /nfs/dbraw/zinc/16/83/25/621168325.db2.gz GDZAKKDNSOBOHD-LBPRGKRZSA-N 0 1 279.343 2.739 20 30 CFEDMN C[C@H](C#N)OCCN1CC[C@@H](Oc2ccccc2Cl)C1 ZINC000801933795 621168706 /nfs/dbraw/zinc/16/87/06/621168706.db2.gz GELZIULNLXHCQY-CHWSQXEVSA-N 0 1 294.782 2.722 20 30 CFEDMN C[C@H](COCC(F)(F)F)N[C@H](C)c1cc(C#N)ccn1 ZINC000902777187 621171330 /nfs/dbraw/zinc/17/13/30/621171330.db2.gz TZTVLNZWWIZMDO-NXEZZACHSA-N 0 1 287.285 2.571 20 30 CFEDMN C#CCN1CCC(NC(=O)Nc2ccc(C)cc2C)CC1 ZINC000902944418 621207450 /nfs/dbraw/zinc/20/74/50/621207450.db2.gz GACSKEUXMPTHOM-UHFFFAOYSA-N 0 1 285.391 2.523 20 30 CFEDMN CC[C@@H](NCc1snnc1C)c1cccc(C#N)c1 ZINC000902998860 621224721 /nfs/dbraw/zinc/22/47/21/621224721.db2.gz IOYOXUHTCFTFIW-CYBMUJFWSA-N 0 1 272.377 2.959 20 30 CFEDMN C[C@@H](C#N)OCCN1CC=C(c2ccc(Cl)nc2)CC1 ZINC000801941411 621237043 /nfs/dbraw/zinc/23/70/43/621237043.db2.gz YSCLFWOFPXPHAS-LBPRGKRZSA-N 0 1 291.782 2.753 20 30 CFEDMN COCCOc1ccc([C@H](C)NCC(C)(C)C#N)cc1 ZINC000903100763 621252653 /nfs/dbraw/zinc/25/26/53/621252653.db2.gz XBDKIVWYXJZQJW-ZDUSSCGKSA-N 0 1 276.380 2.912 20 30 CFEDMN C[C@@H](CC(=O)Nc1cccnc1Cl)NCC(C)(C)C#N ZINC000903099965 621253012 /nfs/dbraw/zinc/25/30/12/621253012.db2.gz DPQUGNWZTJGHSB-JTQLQIEISA-N 0 1 294.786 2.591 20 30 CFEDMN C[C@H]1CCN(C(=O)OC(C)(C)C)C[C@H]1NCC1(C#N)CC1 ZINC000903105599 621255296 /nfs/dbraw/zinc/25/52/96/621255296.db2.gz FJQJQGZDINQCPK-QWHCGFSZSA-N 0 1 293.411 2.525 20 30 CFEDMN N#CC1(CN[C@H](Cc2ccccc2[N+](=O)[O-])C2CC2)CC1 ZINC000903105268 621255370 /nfs/dbraw/zinc/25/53/70/621255370.db2.gz BKIUDLXNYLLYNE-CQSZACIVSA-N 0 1 285.347 2.809 20 30 CFEDMN N#CC1(CN[C@@H](c2cccs2)c2nnc[nH]2)CCCC1 ZINC000903109605 621256774 /nfs/dbraw/zinc/25/67/74/621256774.db2.gz SHXTWAZSLNISQA-LBPRGKRZSA-N 0 1 287.392 2.629 20 30 CFEDMN N#C[C@H]1CCC[C@H](NCc2nc3c(s2)CCC3)C1 ZINC000903190931 621286521 /nfs/dbraw/zinc/28/65/21/621286521.db2.gz IMHPPAAFYLJSSN-QWRGUYRKSA-N 0 1 261.394 2.804 20 30 CFEDMN C[C@@H](NCC(C)(C)C#N)C1(NC(=O)OC(C)(C)C)CC1 ZINC000903220700 621292421 /nfs/dbraw/zinc/29/24/21/621292421.db2.gz NJMZTTUXXGXCNC-LLVKDONJSA-N 0 1 281.400 2.572 20 30 CFEDMN CCCCCCCC[C@H](CO)N[C@H]1C[C@H](C)n2ncnc21 ZINC000903318411 621331322 /nfs/dbraw/zinc/33/13/22/621331322.db2.gz KDTQCUAOIFETDD-ZNMIVQPWSA-N 0 1 294.443 2.985 20 30 CFEDMN N#CC1CCC(C[N@@H+]2CCCC[C@@H]2CC(=O)[O-])CC1 ZINC000903408949 621363754 /nfs/dbraw/zinc/36/37/54/621363754.db2.gz OKMNDPRWKGPALV-JXQTWKCFSA-N 0 1 264.369 2.646 20 30 CFEDMN N#Cc1cc(Cl)cc(C[N@@H+]2CCCC[C@@H]2C(=O)[O-])c1 ZINC000903402848 621369107 /nfs/dbraw/zinc/36/91/07/621369107.db2.gz ZQJXUCIGGBUCCW-CYBMUJFWSA-N 0 1 278.739 2.651 20 30 CFEDMN C[C@@H](C[N@@H+](C)CCCCC1(C#N)CCC1)C(=O)[O-] ZINC000903701745 621421859 /nfs/dbraw/zinc/42/18/59/621421859.db2.gz LNWXDCHWWMXHFT-LBPRGKRZSA-N 0 1 252.358 2.503 20 30 CFEDMN C=CC[N@@H+](Cc1ccccc1F)C[C@@H]1C[C@H]1C(=O)[O-] ZINC000903887901 621460265 /nfs/dbraw/zinc/46/02/65/621460265.db2.gz IRDZDLVKJCJASI-QWHCGFSZSA-N 0 1 263.312 2.534 20 30 CFEDMN CCCC(C#N)(CCC)NC(=O)[C@@H]1CCCN1C(C)C ZINC000903875477 621462810 /nfs/dbraw/zinc/46/28/10/621462810.db2.gz GRAZEXAQZHVHET-AWEZNQCLSA-N 0 1 279.428 2.838 20 30 CFEDMN C=CC(C)(C)CCCNC(=O)CN(CC)C1CC1 ZINC000832721895 625496180 /nfs/dbraw/zinc/49/61/80/625496180.db2.gz RMWNAFCZXCNNQD-UHFFFAOYSA-N 0 1 252.402 2.579 20 30 CFEDMN CN(C)Cc1cc(-c2ccc(OCC#N)cn2)ccc1F ZINC000904806375 621652212 /nfs/dbraw/zinc/65/22/12/621652212.db2.gz LJYCXDKOUKXTAC-UHFFFAOYSA-N 0 1 285.322 2.852 20 30 CFEDMN CC1/C(=C/c2cnc(C3CCC3)s2)C(=O)c2ncnn21 ZINC000905087040 621692965 /nfs/dbraw/zinc/69/29/65/621692965.db2.gz VFIDJDHIGPEABG-SDZLHINSSA-N 0 1 286.360 2.843 20 30 CFEDMN CCCn1cc(C(C)N=Nc2ccc(F)cc2F)nn1 ZINC000905420788 621764629 /nfs/dbraw/zinc/76/46/29/621764629.db2.gz XBUGLXHDJCIBES-UHFFFAOYSA-N 0 1 279.294 2.802 20 30 CFEDMN CC(C)CC(=NNCCN1CCCCC1)C1CCOCC1 ZINC000905437634 621772050 /nfs/dbraw/zinc/77/20/50/621772050.db2.gz YHOWAOJGJRRUSH-UHFFFAOYSA-N 0 1 295.471 2.891 20 30 CFEDMN CCC(=NNC1=N[C@@H]2CCCC[C@@H]2N1)c1cccc(C#N)c1 ZINC000905456100 621776053 /nfs/dbraw/zinc/77/60/53/621776053.db2.gz GDRBEILANMREGB-IYBDPMFKSA-N 0 1 295.390 2.532 20 30 CFEDMN C[C@H](c1ccc(C#N)cc1)n1cc(CN(C)C(C)(C)C)nn1 ZINC000905801965 621867007 /nfs/dbraw/zinc/86/70/07/621867007.db2.gz OPGQBYNJNKRHPS-CYBMUJFWSA-N 0 1 297.406 2.989 20 30 CFEDMN N#CCC[C@H](C#N)CNCCc1ccc2ncccc2c1 ZINC000905849587 621888232 /nfs/dbraw/zinc/88/82/32/621888232.db2.gz HJCDODRDUZKKMW-OAHLLOKOSA-N 0 1 278.359 2.810 20 30 CFEDMN N#C[C@]1(C(=O)N[C@H]2CCCc3cn[nH]c32)CC2CCC1CC2 ZINC000907046039 622079504 /nfs/dbraw/zinc/07/95/04/622079504.db2.gz YVVHPRVMCWNIEJ-JFOLYBEZSA-N 0 1 298.390 2.623 20 30 CFEDMN CCCCCCCCCNC(=O)C1(N(C)C)CC1 ZINC000820924344 622792930 /nfs/dbraw/zinc/79/29/30/622792930.db2.gz AIHHZSXAIDRZTM-UHFFFAOYSA-N 0 1 254.418 2.947 20 30 CFEDMN Cc1c(C#N)cccc1NC(=O)CN(C)CC(C)(C)C ZINC000821091761 622845794 /nfs/dbraw/zinc/84/57/94/622845794.db2.gz IBMVBDYPWZYZDR-UHFFFAOYSA-N 0 1 273.380 2.783 20 30 CFEDMN C=CCC[C@H](NC(=O)CN1CCCC1)c1ccccc1 ZINC000821116372 622849964 /nfs/dbraw/zinc/84/99/64/622849964.db2.gz XYLSXEDLAPTKHU-INIZCTEOSA-N 0 1 272.392 2.906 20 30 CFEDMN C#CC[C@H](CO)NCc1ccc(-c2ccccc2F)o1 ZINC000821207183 622868495 /nfs/dbraw/zinc/86/84/95/622868495.db2.gz LQPYODABTQNVPL-GFCCVEGCSA-N 0 1 273.307 2.560 20 30 CFEDMN CN(C)CC#CCNC(=O)[C@@H]1CCCC[C@@H]1c1ccccc1 ZINC000913523244 622910269 /nfs/dbraw/zinc/91/02/69/622910269.db2.gz RJTQGDPIWLNCEI-QZTJIDSGSA-N 0 1 298.430 2.642 20 30 CFEDMN C=CCc1cc(OC)cc(CN2CCO[C@H](C)[C@H]2C)c1O ZINC000164515093 622958399 /nfs/dbraw/zinc/95/83/99/622958399.db2.gz NDHHNSJORWCYMX-CHWSQXEVSA-N 0 1 291.391 2.739 20 30 CFEDMN C#C[C@H](C)NCc1cc(F)cc(Br)c1 ZINC000166672149 623026202 /nfs/dbraw/zinc/02/62/02/623026202.db2.gz AIUBTBPLKJKJQL-QMMMGPOBSA-N 0 1 256.118 2.700 20 30 CFEDMN N#CC(C(=O)Cc1ccccc1F)c1ccccn1 ZINC000046439915 623074636 /nfs/dbraw/zinc/07/46/36/623074636.db2.gz JQHMOMQKNNJHEP-LBPRGKRZSA-N 0 1 254.264 2.640 20 30 CFEDMN CC(C)(C)OC(=O)N1CCC[C@@H](NCC(C)(C)C#N)C1 ZINC000169278780 623118073 /nfs/dbraw/zinc/11/80/73/623118073.db2.gz MAYQNOLJRUPGPY-GFCCVEGCSA-N 0 1 281.400 2.525 20 30 CFEDMN CCCCCC[C@H](C)CC(=O)[C@H](C#N)C(=O)NC1CC1 ZINC000171036652 623201121 /nfs/dbraw/zinc/20/11/21/623201121.db2.gz LJTFJDLTVWMJCG-JSGCOSHPSA-N 0 1 278.396 2.970 20 30 CFEDMN CCCCCCC[C@@H](C)CNC(=O)Cc1n[nH]c(C)n1 ZINC000823062454 623226086 /nfs/dbraw/zinc/22/60/86/623226086.db2.gz MIDZYCOVEPBVHC-GFCCVEGCSA-N 0 1 280.416 2.768 20 30 CFEDMN COC(=O)/C(C)=C\CN(C)[C@@H](C)c1cccc(C#N)c1 ZINC000823617530 623361980 /nfs/dbraw/zinc/36/19/80/623361980.db2.gz JZOWVLJXUWSCHW-FSBNRTBOSA-N 0 1 272.348 2.670 20 30 CFEDMN CCCCC[C@H](C)CC(=O)[C@H](C#N)C(=O)NC1CC1 ZINC000173973486 623378344 /nfs/dbraw/zinc/37/83/44/623378344.db2.gz QFHHOMRDTLLOMW-AAEUAGOBSA-N 0 1 264.369 2.580 20 30 CFEDMN C[C@@H]1CCC[C@H](C(=O)C(C#N)C(=O)Nc2ccccn2)C1 ZINC000174011549 623379002 /nfs/dbraw/zinc/37/90/02/623379002.db2.gz JIMOYVMEDPOZLI-FRRDWIJNSA-N 0 1 285.347 2.555 20 30 CFEDMN N#Cc1ccc(CNC[C@@H](O)c2ccc(Cl)cc2)o1 ZINC000174253819 623405538 /nfs/dbraw/zinc/40/55/38/623405538.db2.gz NVWGVKXPYWQDOV-CQSZACIVSA-N 0 1 276.723 2.628 20 30 CFEDMN CC#CC[N@H+]1CC[C@]2(NC(=O)[C@@H]3CCC3(C)C)CCC[C@H]12 ZINC000992125233 623462055 /nfs/dbraw/zinc/46/20/55/623462055.db2.gz CTWBGSNAVZBXOC-RLFYNMQTSA-N 0 1 288.435 2.559 20 30 CFEDMN C=CCN1CC[C@]2(NC(=O)c3occc3Cl)CCC[C@@H]12 ZINC000992170009 623477114 /nfs/dbraw/zinc/47/71/14/623477114.db2.gz JKHXVCDVSUBNMM-IUODEOHRSA-N 0 1 294.782 2.846 20 30 CFEDMN C#C[C@H](NCc1ccsc1Cl)C1CCOCC1 ZINC000827559835 623480082 /nfs/dbraw/zinc/48/00/82/623480082.db2.gz JRLXABVPCHFMIO-LBPRGKRZSA-N 0 1 269.797 2.920 20 30 CFEDMN CC[C@@H]1COCCN1Cc1c(C)cc(C#N)cc1C ZINC000929660607 623503919 /nfs/dbraw/zinc/50/39/19/623503919.db2.gz WWWOILVPMBZMDV-OAHLLOKOSA-N 0 1 258.365 2.786 20 30 CFEDMN N#C[C@H]1CC[C@@H](NCc2cc(F)cnc2Cl)C1 ZINC000824542852 623520695 /nfs/dbraw/zinc/52/06/95/623520695.db2.gz CMSAPBKFIKSMFP-GZMMTYOYSA-N 0 1 253.708 2.656 20 30 CFEDMN C#CC[N@H+]1CC[C@]2(NC(=O)[C@H](C)C3CCCC3)CCC[C@H]12 ZINC000992403193 623532345 /nfs/dbraw/zinc/53/23/45/623532345.db2.gz JUKPPVZGFPTTQV-UWWQBHOKSA-N 0 1 288.435 2.559 20 30 CFEDMN CCC(CC)CC(=O)[C@H](C#N)C(=O)NC1CCCC1 ZINC000151715566 623558150 /nfs/dbraw/zinc/55/81/50/623558150.db2.gz DKCPPCMVMQBDQV-ZDUSSCGKSA-N 0 1 264.369 2.580 20 30 CFEDMN CCC(CC)CC(=O)C(C#N)C(=O)Nc1ccccn1 ZINC000151756687 623561945 /nfs/dbraw/zinc/56/19/45/623561945.db2.gz KZXKIIOKTPYCSF-LBPRGKRZSA-N 0 1 273.336 2.555 20 30 CFEDMN CC(C)OC1(C(=O)Nc2nc3ccc(C#N)cc3[nH]2)CCC1 ZINC000825339658 623676949 /nfs/dbraw/zinc/67/69/49/623676949.db2.gz FGJSXMOEIDCFBQ-UHFFFAOYSA-N 0 1 298.346 2.721 20 30 CFEDMN C#CCSCCNCc1csc(-c2ccccn2)n1 ZINC000152953069 623794909 /nfs/dbraw/zinc/79/49/09/623794909.db2.gz SWCIQPDCXQKPNH-UHFFFAOYSA-N 0 1 289.429 2.661 20 30 CFEDMN N#Cc1cncc(C[N@H+]2CCS[C@@H]3CCCC[C@@H]32)c1 ZINC000929818476 623795563 /nfs/dbraw/zinc/79/55/63/623795563.db2.gz XDTWYSFLNVUPAV-LSDHHAIUSA-N 0 1 273.405 2.813 20 30 CFEDMN N#Cc1cncc(CN2CCS[C@@H]3CCCC[C@@H]32)c1 ZINC000929818476 623795566 /nfs/dbraw/zinc/79/55/66/623795566.db2.gz XDTWYSFLNVUPAV-LSDHHAIUSA-N 0 1 273.405 2.813 20 30 CFEDMN C=CCN1CCC[C@H](NC(=O)c2sccc2C)[C@H]1C ZINC000992943678 623812688 /nfs/dbraw/zinc/81/26/88/623812688.db2.gz HDFMPIXBJDULLH-OLZOCXBDSA-N 0 1 278.421 2.825 20 30 CFEDMN CC#CCN1CCC[C@@H](NC(=O)CC2CCCCC2)[C@@H]1C ZINC000992988126 623831450 /nfs/dbraw/zinc/83/14/50/623831450.db2.gz VAIKITOKBFCLFU-DOTOQJQBSA-N 0 1 290.451 2.949 20 30 CFEDMN CC#CCN1CCC[C@@H](NC(=O)CC2CCCC2)[C@H]1C ZINC000992990092 623832207 /nfs/dbraw/zinc/83/22/07/623832207.db2.gz XKWCMIWVQAOADV-GDBMZVCRSA-N 0 1 276.424 2.559 20 30 CFEDMN C=C(C)C[N@@H+]1CCC[C@@H](NC(=O)c2cccc(F)c2)[C@H]1C ZINC000992986833 623834937 /nfs/dbraw/zinc/83/49/37/623834937.db2.gz HFYFKBGGDQPMTR-CZUORRHYSA-N 0 1 290.382 2.985 20 30 CFEDMN C=C(C)CN1CCC[C@H](NC(=O)c2cccs2)[C@@H]1C ZINC000993010026 623841011 /nfs/dbraw/zinc/84/10/11/623841011.db2.gz SSWMODDTJVEATD-STQMWFEESA-N 0 1 278.421 2.907 20 30 CFEDMN C=CCN1CCC[C@@H](NC(=O)c2ccc(Cl)o2)[C@H]1C ZINC000993040388 623862322 /nfs/dbraw/zinc/86/23/22/623862322.db2.gz RGRAXLYNQQEXNE-GHMZBOCLSA-N 0 1 282.771 2.702 20 30 CFEDMN C=CCN1CCC[C@H](NC(=O)c2cc(C)oc2C)[C@H]1C ZINC000993049093 623868664 /nfs/dbraw/zinc/86/86/64/623868664.db2.gz PSAZCPGOEJKUPC-DOMZBBRYSA-N 0 1 276.380 2.665 20 30 CFEDMN CC#CC[N@H+]1CCC[C@H](NC(=O)C=C2CCCCC2)[C@H]1C ZINC000993113065 623918732 /nfs/dbraw/zinc/91/87/32/623918732.db2.gz XVAXVHXQJWKHOP-WBVHZDCISA-N 0 1 288.435 2.869 20 30 CFEDMN CC#CCN1CCC[C@H](NC(=O)C=C2CCCCC2)[C@H]1C ZINC000993113065 623918737 /nfs/dbraw/zinc/91/87/37/623918737.db2.gz XVAXVHXQJWKHOP-WBVHZDCISA-N 0 1 288.435 2.869 20 30 CFEDMN C=CCON=C1CCN(Cc2ccc(C#N)cc2)CC1 ZINC000835016176 623935834 /nfs/dbraw/zinc/93/58/34/623935834.db2.gz RZZGGPLTUJYCQG-UHFFFAOYSA-N 0 1 269.348 2.713 20 30 CFEDMN CCN(CC)c1ccc(C=NOC[C@@H]2CCOC2)c(O)c1 ZINC000788030015 623945478 /nfs/dbraw/zinc/94/54/78/623945478.db2.gz IVOZMBTUDUXANN-CYBMUJFWSA-N 0 1 292.379 2.625 20 30 CFEDMN c1ccc2c(c1)NCCCC2=NOC[C@H]1CCOC1 ZINC000788032594 623954000 /nfs/dbraw/zinc/95/40/00/623954000.db2.gz CAXOQSACRCVJJT-LBPRGKRZSA-N 0 1 260.337 2.650 20 30 CFEDMN C[C@H]1CC(=NOC[C@@H]2CCOC2)CN1Cc1ccccc1 ZINC000788034662 623973357 /nfs/dbraw/zinc/97/33/57/623973357.db2.gz VAOINZNHGAHCFP-GOEBONIOSA-N 0 1 288.391 2.690 20 30 CFEDMN C=CCN1CCC[C@H](NC(=O)C2C(C)(C)C2(C)C)[C@H]1C ZINC000993188172 623994804 /nfs/dbraw/zinc/99/48/04/623994804.db2.gz UKSSIHGZTOXJQZ-OLZOCXBDSA-N 0 1 278.440 2.824 20 30 CFEDMN C#C[C@@H](NCc1c(F)cc(C)cc1F)C1CCOCC1 ZINC000827554268 624030134 /nfs/dbraw/zinc/03/01/34/624030134.db2.gz CARCQCJZXISFFL-MRXNPFEDSA-N 0 1 279.330 2.791 20 30 CFEDMN C#C[C@@H](NCc1ccc(F)c(F)c1F)C1CCOCC1 ZINC000827555657 624030263 /nfs/dbraw/zinc/03/02/63/624030263.db2.gz YREHJCGOBBSABH-CYBMUJFWSA-N 0 1 283.293 2.622 20 30 CFEDMN C#C[C@H](NCc1ccc([C@@H]2C[C@@H]2C)o1)C1CCOCC1 ZINC000827570593 624036149 /nfs/dbraw/zinc/03/61/49/624036149.db2.gz OXHBNPZCYLBREG-MAZHCROVSA-N 0 1 273.376 2.921 20 30 CFEDMN C=CCN1CCC[C@@H](NC(=O)c2ccoc2Cl)[C@H]1C ZINC000993215041 624041890 /nfs/dbraw/zinc/04/18/90/624041890.db2.gz LIQSJXFJDXVXGJ-ZYHUDNBSSA-N 0 1 282.771 2.702 20 30 CFEDMN CC1(/C=C\C(=O)Nc2cc(C#N)ccc2O)CCOCC1 ZINC000827830327 624105112 /nfs/dbraw/zinc/10/51/12/624105112.db2.gz XCNFJJUPFOXKPL-PLNGDYQASA-N 0 1 286.331 2.575 20 30 CFEDMN C=CC[N@@H+]1CCC[C@H](NC(=O)c2cccc(C)c2F)[C@@H]1C ZINC000993368614 624124620 /nfs/dbraw/zinc/12/46/20/624124620.db2.gz XVODXCRHDMHCCM-ZFWWWQNUSA-N 0 1 290.382 2.903 20 30 CFEDMN C=CCN1CCC[C@H](NC(=O)c2cccc(C)c2F)[C@@H]1C ZINC000993368614 624124623 /nfs/dbraw/zinc/12/46/23/624124623.db2.gz XVODXCRHDMHCCM-ZFWWWQNUSA-N 0 1 290.382 2.903 20 30 CFEDMN C=CCN1CCC[C@@H](NC(=O)c2ccnc(C3CC3)c2)[C@@H]1C ZINC000993536053 624151032 /nfs/dbraw/zinc/15/10/32/624151032.db2.gz KTXBYBSVTLUOQQ-XJKSGUPXSA-N 0 1 299.418 2.728 20 30 CFEDMN C=CCN1CCC[C@@H](NC(=O)C2CCC(=C)CC2)[C@@H]1C ZINC000993741173 624163397 /nfs/dbraw/zinc/16/33/97/624163397.db2.gz KBWBQQJRCCUWIE-GOEBONIOSA-N 0 1 276.424 2.888 20 30 CFEDMN C=CCN1CCC[C@H](NC(=O)c2occc2CC)[C@@H]1C ZINC000993790985 624165748 /nfs/dbraw/zinc/16/57/48/624165748.db2.gz QRHUPMMZRQZCFC-JSGCOSHPSA-N 0 1 276.380 2.611 20 30 CFEDMN C=Cc1ccc(C(=O)N[C@@H]2CCCN(CC#CC)[C@H]2C)cc1 ZINC000993817513 624169027 /nfs/dbraw/zinc/16/90/27/624169027.db2.gz BVITZCSLJKWQEN-MAUKXSAKSA-N 0 1 296.414 2.936 20 30 CFEDMN C=CCN1CCC[C@@H](NC(=O)c2cc(C)c(CC)o2)[C@H]1C ZINC000994209682 624183191 /nfs/dbraw/zinc/18/31/91/624183191.db2.gz NYZVWTKOIFGSJP-ZIAGYGMSSA-N 0 1 290.407 2.919 20 30 CFEDMN C=CCN1CCC[C@@H](NC(=O)C2(C)CC(F)(F)C2)[C@@H]1C ZINC000994209902 624183282 /nfs/dbraw/zinc/18/32/82/624183282.db2.gz WVLMVAOFKOUROR-NWDGAFQWSA-N 0 1 286.366 2.577 20 30 CFEDMN Cc1cccc(C=Nn2c(=S)[nH]nc2C(F)(F)F)c1 ZINC000916304930 624238333 /nfs/dbraw/zinc/23/83/33/624238333.db2.gz HKWFWBMYKXJGOA-UHFFFAOYSA-N 0 1 286.282 2.776 20 30 CFEDMN C=C(C)CN1CC[C@@H](NC(=O)c2ccc(C3CC3)nc2C)C1 ZINC001015718429 624268444 /nfs/dbraw/zinc/26/84/44/624268444.db2.gz PDTIADKEBASJRJ-OAHLLOKOSA-N 0 1 299.418 2.648 20 30 CFEDMN CC#CCN1CCC[C@@H](NC(=O)c2ccc(C)cc2)[C@H]1C ZINC000994289661 624273859 /nfs/dbraw/zinc/27/38/59/624273859.db2.gz SHMXXIXVPZWNBA-NVXWUHKLSA-N 0 1 284.403 2.601 20 30 CFEDMN CC#CCN1CCC[C@@H](NC(=O)c2ccc(C)cc2)[C@@H]1C ZINC000994289656 624274479 /nfs/dbraw/zinc/27/44/79/624274479.db2.gz SHMXXIXVPZWNBA-DOTOQJQBSA-N 0 1 284.403 2.601 20 30 CFEDMN CC#CCN1CCC[C@@H](NC(=O)c2cc(C)cc(C)c2)[C@@H]1C ZINC000994299243 624274993 /nfs/dbraw/zinc/27/49/93/624274993.db2.gz XOIQZVPKPMYXSE-FUHWJXTLSA-N 0 1 298.430 2.909 20 30 CFEDMN C#CCN1CCC[C@H](NC(=O)c2cc(C)ccc2C)[C@H]1C ZINC000994298389 624275241 /nfs/dbraw/zinc/27/52/41/624275241.db2.gz RAQWCLPSVMBBLO-WBVHZDCISA-N 0 1 284.403 2.519 20 30 CFEDMN C#CCC[N@@H+]1CCC[C@@H](NC(=O)c2ccc(C)c(C)c2)[C@H]1C ZINC000994352854 624277845 /nfs/dbraw/zinc/27/78/45/624277845.db2.gz OHJHHNNNXZVUPA-SJLPKXTDSA-N 0 1 298.430 2.909 20 30 CFEDMN C=CC[N@@H+]1CCC[C@H](NC(=O)c2cc3ccccc3[nH]2)[C@H]1C ZINC000994370012 624278410 /nfs/dbraw/zinc/27/84/10/624278410.db2.gz ZQWIFTCPHHIPSM-HIFRSBDPSA-N 0 1 297.402 2.937 20 30 CFEDMN C=CCN1CCC[C@H](NC(=O)c2cc3ccccc3[nH]2)[C@H]1C ZINC000994370012 624278413 /nfs/dbraw/zinc/27/84/13/624278413.db2.gz ZQWIFTCPHHIPSM-HIFRSBDPSA-N 0 1 297.402 2.937 20 30 CFEDMN C=CC[N@@H+]1CCC[C@@H](NC(=O)c2ccc(C(F)F)o2)[C@@H]1C ZINC000994354821 624278440 /nfs/dbraw/zinc/27/84/40/624278440.db2.gz UZUBLHBPVRSGAL-WDEREUQCSA-N 0 1 298.333 2.986 20 30 CFEDMN C=CCN1CCC[C@@H](NC(=O)c2ccc(C(F)F)o2)[C@@H]1C ZINC000994354821 624278441 /nfs/dbraw/zinc/27/84/41/624278441.db2.gz UZUBLHBPVRSGAL-WDEREUQCSA-N 0 1 298.333 2.986 20 30 CFEDMN CCCCCC(=O)C(C#N)C(=O)Nc1cccc(OC)c1 ZINC000916890105 624290959 /nfs/dbraw/zinc/29/09/59/624290959.db2.gz GVYRTZAWKUJYTO-AWEZNQCLSA-N 0 1 288.347 2.923 20 30 CFEDMN CCc1ccc(NC(=O)C(C#N)C(=O)[C@H]2C[C@H]2C)cc1 ZINC000916911254 624293095 /nfs/dbraw/zinc/29/30/95/624293095.db2.gz DNGDWEADAYRNGA-DDTOSNHZSA-N 0 1 270.332 2.552 20 30 CFEDMN C=CCN(CC(=O)N1[C@H](C)CCC[C@H]1C)C(C)C ZINC000917070360 624306800 /nfs/dbraw/zinc/30/68/00/624306800.db2.gz AOUNNSJMAPJMIM-ZIAGYGMSSA-N 0 1 252.402 2.672 20 30 CFEDMN C=CCN(CC(=O)N[C@@H]1CCC[C@@H](C)[C@H]1C)C(C)C ZINC000917071072 624307993 /nfs/dbraw/zinc/30/79/93/624307993.db2.gz NMJCSFNPLHXPIX-RBSFLKMASA-N 0 1 266.429 2.824 20 30 CFEDMN C=CCN(CC(=O)N1CCC[C@@H](C(F)(F)F)C1)C(C)C ZINC000917167935 624320638 /nfs/dbraw/zinc/32/06/38/624320638.db2.gz JJUPHJDHFSSVCL-GFCCVEGCSA-N 0 1 292.345 2.684 20 30 CFEDMN C=CCN(CC(=O)NCCO[C@@H]1CCCC[C@H]1C)C(C)C ZINC000917168719 624320660 /nfs/dbraw/zinc/32/06/60/624320660.db2.gz XYCNTHMHVZHGCO-HZPDHXFCSA-N 0 1 296.455 2.594 20 30 CFEDMN C=CCN(CC(=O)N(CC(C)C)CC(F)(F)F)C(C)C ZINC000917168006 624320745 /nfs/dbraw/zinc/32/07/45/624320745.db2.gz LNFSGXRTLLLMGM-UHFFFAOYSA-N 0 1 294.361 2.930 20 30 CFEDMN CC(C)C#CC(=O)N1CCN(Cc2ccccc2)CC[C@@H]1C ZINC000829498689 624445312 /nfs/dbraw/zinc/44/53/12/624445312.db2.gz DLGSPRZCQSYBHG-KRWDZBQOSA-N 0 1 298.430 2.769 20 30 CFEDMN C[C@@H](O)[C@H]1CCCN(Cc2cc(Cl)cc(C#N)c2)C1 ZINC000930059821 624526053 /nfs/dbraw/zinc/52/60/53/624526053.db2.gz GOSDIAVCKXBOEM-RISCZKNCSA-N 0 1 278.783 2.804 20 30 CFEDMN C#CC[C@H]1CCCN(Cc2nc(-c3ccco3)no2)C1 ZINC000829768596 624527694 /nfs/dbraw/zinc/52/76/94/624527694.db2.gz HFHSEBUQJOFHAE-LBPRGKRZSA-N 0 1 271.320 2.565 20 30 CFEDMN C#CC[C@H]1CCCN([C@H](C)C(=O)Nc2cccc(F)c2)C1 ZINC000829779336 624535006 /nfs/dbraw/zinc/53/50/06/624535006.db2.gz QSGOBHGUOADKCW-KGLIPLIRSA-N 0 1 288.366 2.888 20 30 CFEDMN C#CC[C@H]1CCCN([C@@H](C)C(=O)Nc2cccc(C#N)c2)C1 ZINC000829789023 624538061 /nfs/dbraw/zinc/53/80/61/624538061.db2.gz LWUPBKYOCCJPTH-GJZGRUSLSA-N 0 1 295.386 2.621 20 30 CFEDMN CCC/C=C\C(=O)OCC(=O)[C@H](C#N)c1nc(C)cs1 ZINC000919241713 624545142 /nfs/dbraw/zinc/54/51/42/624545142.db2.gz CWTKIEIXVZMMGU-GZTOBOFZSA-N 0 1 292.360 2.527 20 30 CFEDMN CCC/C=C\C(=O)OCC(=O)C(C#N)c1nc(C)cs1 ZINC000919241713 624545148 /nfs/dbraw/zinc/54/51/48/624545148.db2.gz CWTKIEIXVZMMGU-GZTOBOFZSA-N 0 1 292.360 2.527 20 30 CFEDMN Cc1ccc2nc([C@H]3CCCN3CCO[C@@H](C)C#N)[nH]c2c1 ZINC000829868936 624572974 /nfs/dbraw/zinc/57/29/74/624572974.db2.gz VTAGOGPHUSARND-XJKSGUPXSA-N 0 1 298.390 2.937 20 30 CFEDMN Cc1ccc([C@H](C)NCc2cnc3c(C#N)cnn3c2)s1 ZINC000920181288 624693476 /nfs/dbraw/zinc/69/34/76/624693476.db2.gz FKGLFFCIJBOCRK-NSHDSACASA-N 0 1 297.387 2.822 20 30 CFEDMN C#CC1CCN([C@@H](C)C(=O)Nc2ccccc2CC)CC1 ZINC000830316454 624706682 /nfs/dbraw/zinc/70/66/82/624706682.db2.gz SWDPQUUPZIAKJT-AWEZNQCLSA-N 0 1 284.403 2.921 20 30 CFEDMN C#CC1CCN([C@H](C)C(=O)N2c3ccccc3C[C@H]2C)CC1 ZINC000830311863 624706691 /nfs/dbraw/zinc/70/66/91/624706691.db2.gz XYPZBWWZUITYEP-HUUCEWRRSA-N 0 1 296.414 2.698 20 30 CFEDMN FC(F)(F)c1n[nH]c(=S)n1N=CC=Cc1ccco1 ZINC000920361390 624714628 /nfs/dbraw/zinc/71/46/28/624714628.db2.gz NQEYCXPINLAXQA-YNFZOCRNSA-N 0 1 288.254 2.726 20 30 CFEDMN C#CC1CCN(C[C@@H](O)c2ccc(F)cc2Cl)CC1 ZINC000830345520 624716046 /nfs/dbraw/zinc/71/60/46/624716046.db2.gz GZPVJGOUPPHFEL-OAHLLOKOSA-N 0 1 281.758 2.858 20 30 CFEDMN C=C(Br)CN1CC2(C[C@H]1C)CCOCC2 ZINC000830621800 624791721 /nfs/dbraw/zinc/79/17/21/624791721.db2.gz FHCLDMFUQVXWMW-LLVKDONJSA-N 0 1 274.202 2.786 20 30 CFEDMN C#CCN1CCN([C@H](CC)c2ccc(F)cc2)CC1 ZINC000089946860 624807810 /nfs/dbraw/zinc/80/78/10/624807810.db2.gz NBVDUBLTIRQWRB-MRXNPFEDSA-N 0 1 260.356 2.528 20 30 CFEDMN C#CCC1(NC(=O)NCc2nc3ccc(C)cc3[nH]2)CCC1 ZINC000921115694 624810152 /nfs/dbraw/zinc/81/01/52/624810152.db2.gz GLFZPVQTSHEKEB-UHFFFAOYSA-N 0 1 296.374 2.617 20 30 CFEDMN Cc1cncc(/C=C/C(=O)Nc2cc(C#N)ccc2O)c1 ZINC000179741337 624976114 /nfs/dbraw/zinc/97/61/14/624976114.db2.gz RTQZBHXMLUWFME-HWKANZROSA-N 0 1 279.299 2.619 20 30 CFEDMN C=CCCCN(C)CN1CC(CC)(CC)OC1=O ZINC000180246661 625007682 /nfs/dbraw/zinc/00/76/82/625007682.db2.gz LUZRWFGNDLPNDD-UHFFFAOYSA-N 0 1 254.374 2.853 20 30 CFEDMN C=C(Cl)CN1C[C@H](C(=O)NCCCC)CC[C@@H]1C ZINC000069173683 625057566 /nfs/dbraw/zinc/05/75/66/625057566.db2.gz NCNYCZQBVUSQJO-QWHCGFSZSA-N 0 1 272.820 2.756 20 30 CFEDMN CC[C@@H](c1ccccc1)N1CCC(C#N)(C(=O)OC)CC1 ZINC000831691708 625098237 /nfs/dbraw/zinc/09/82/37/625098237.db2.gz UHCLHZBRLXWBBO-HNNXBMFYSA-N 0 1 286.375 2.916 20 30 CFEDMN COC(=O)C1(C#N)CCN([C@H](C)c2cccc(C)c2)CC1 ZINC000831691293 625098364 /nfs/dbraw/zinc/09/83/64/625098364.db2.gz LNCJWCRCLMRIOA-CQSZACIVSA-N 0 1 286.375 2.835 20 30 CFEDMN CC(C)c1cc([C@H]2CCCN(C(=O)CCCC#N)C2)n[nH]1 ZINC000831884804 625167047 /nfs/dbraw/zinc/16/70/47/625167047.db2.gz KIRZDOGZAJYNIK-ZDUSSCGKSA-N 0 1 288.395 2.933 20 30 CFEDMN CCCCCCCN1CCC[C@@]2(CCS(=O)(=O)C2)C1 ZINC000831914912 625178583 /nfs/dbraw/zinc/17/85/83/625178583.db2.gz AUIXSWZXAASGNS-OAHLLOKOSA-N 0 1 287.469 2.858 20 30 CFEDMN CCCCCCNC(=O)C(C#N)C(=O)C1CCCC1 ZINC000069910882 625242981 /nfs/dbraw/zinc/24/29/81/625242981.db2.gz NLJMEZSWFZBAKO-CYBMUJFWSA-N 0 1 264.369 2.582 20 30 CFEDMN C=C(Cl)CN[C@@H]1CN(C(=O)/C=C(\C)C2CC2)CC1(C)C ZINC000995506011 625730223 /nfs/dbraw/zinc/73/02/23/625730223.db2.gz REOXYGXXCJXEAF-DPQIITEBSA-N 0 1 296.842 2.922 20 30 CFEDMN C=C(Cl)CN[C@@H]1CN(C(=O)CCC2CC2)CC1(C)C ZINC000995552926 625738889 /nfs/dbraw/zinc/73/88/89/625738889.db2.gz NAZOWHKBGUPVEQ-CYBMUJFWSA-N 0 1 284.831 2.756 20 30 CFEDMN CCCCCCNC(=O)C(C#N)C(=O)[C@H](C)C(C)C ZINC000073088143 625773050 /nfs/dbraw/zinc/77/30/50/625773050.db2.gz YBHWUMJFPIMTGC-CHWSQXEVSA-N 0 1 266.385 2.684 20 30 CFEDMN C=C(C)CN1CC[C@H]1CN(C)C(=O)c1cc2ccccn2c1 ZINC001085854660 782187548 /nfs/dbraw/zinc/18/75/48/782187548.db2.gz DUDKLBKGGXQADH-KRWDZBQOSA-N 0 1 297.402 2.662 20 30 CFEDMN COc1ccc(CCNN=C2CCc3cc(N)ccc32)cc1 ZINC000834959387 625932787 /nfs/dbraw/zinc/93/27/87/625932787.db2.gz QPZLNRABVADXSX-UHFFFAOYSA-N 0 1 295.386 2.760 20 30 CFEDMN CN(C)c1ccc(/C=C\C=NNCC(F)F)cc1 ZINC000834959468 625933736 /nfs/dbraw/zinc/93/37/36/625933736.db2.gz SBUSYNMNWPIOMT-IGCRCVNYSA-N 0 1 253.296 2.606 20 30 CFEDMN C(=[NH+][N-]c1ccncn1)c1ccc(N2CCCCC2)o1 ZINC000835003413 625951816 /nfs/dbraw/zinc/95/18/16/625951816.db2.gz WZPVALZKWBMQEC-UHFFFAOYSA-N 0 1 271.324 2.506 20 30 CFEDMN C=CC[N@@H+]1CC[C@@H](NC(=O)[C@H](C)c2ccc(C)s2)C1 ZINC001015990088 625987401 /nfs/dbraw/zinc/98/74/01/625987401.db2.gz FZROTGVDJNUORQ-CHWSQXEVSA-N 0 1 278.421 2.537 20 30 CFEDMN C=CCN1CC[C@@H](NC(=O)[C@H](C)c2ccc(C)s2)C1 ZINC001015990088 625987403 /nfs/dbraw/zinc/98/74/03/625987403.db2.gz FZROTGVDJNUORQ-CHWSQXEVSA-N 0 1 278.421 2.537 20 30 CFEDMN CCN(C(C)=O)[C@@H]1CCCN(Cc2ccccc2C#N)CC1 ZINC000997901091 626018702 /nfs/dbraw/zinc/01/87/02/626018702.db2.gz TWDBZYORRWZYQC-GOSISDBHSA-N 0 1 299.418 2.781 20 30 CFEDMN C=C(Cl)CN[C@@H]1CCCN(C(=O)Cc2ccsc2)C1 ZINC000998440524 626050750 /nfs/dbraw/zinc/05/07/50/626050750.db2.gz OUVMPYLBNBWACS-CYBMUJFWSA-N 0 1 298.839 2.624 20 30 CFEDMN C=C(Cl)CN[C@@H]1CCCN(C(=O)CCC2CC2)C1 ZINC000998779592 626061192 /nfs/dbraw/zinc/06/11/92/626061192.db2.gz SQOQMCLHIOOIDY-CYBMUJFWSA-N 0 1 270.804 2.510 20 30 CFEDMN C=C(Cl)CN[C@@H]1CCCN(C(=O)CCc2ccoc2)C1 ZINC000998873982 626063521 /nfs/dbraw/zinc/06/35/21/626063521.db2.gz POIRFQPJXSUBOE-CQSZACIVSA-N 0 1 296.798 2.545 20 30 CFEDMN C=C(Cl)CN[C@H]1CCCN(C(=O)C23CCC(CC2)C3)C1 ZINC000999520986 626075300 /nfs/dbraw/zinc/07/53/00/626075300.db2.gz MJNJSZVSVKHSBP-BBBYJDLNSA-N 0 1 296.842 2.900 20 30 CFEDMN C=CC(C)(C)C(=O)N1CCC[C@@H](NCC(=C)Cl)C1 ZINC000999897943 626082501 /nfs/dbraw/zinc/08/25/01/626082501.db2.gz HBCMXZVTDZZAAV-GFCCVEGCSA-N 0 1 270.804 2.532 20 30 CFEDMN C=C(Cl)CN[C@@H]1CCCN(C(=O)C(C)(C)C2CC2)C1 ZINC000999951984 626084820 /nfs/dbraw/zinc/08/48/20/626084820.db2.gz VMBZOXXIJFQJBB-CYBMUJFWSA-N 0 1 284.831 2.756 20 30 CFEDMN C=C(Cl)CN[C@H]1CCCN(C(=O)C2CC3(CCC3)C2)C1 ZINC000999942557 626084855 /nfs/dbraw/zinc/08/48/55/626084855.db2.gz CSXYCJDOOCCGQP-AWEZNQCLSA-N 0 1 296.842 2.900 20 30 CFEDMN C=C(Cl)CN[C@@H]1CCCN(C(=O)C2(CC)CCC2)C1 ZINC000999944089 626084912 /nfs/dbraw/zinc/08/49/12/626084912.db2.gz NVNOPAAGHNPBKD-CYBMUJFWSA-N 0 1 284.831 2.900 20 30 CFEDMN C#CCN1CC=C(CNC(=O)[C@@H]2CCC[C@H]2CCC)CC1 ZINC001000865373 626133667 /nfs/dbraw/zinc/13/36/67/626133667.db2.gz BGMCJCIKHFKNJJ-IAGOWNOFSA-N 0 1 288.435 2.584 20 30 CFEDMN C#CC[C@H]1CCC[N@H+](Cc2ccc(C(=O)[O-])c(F)c2)C1 ZINC000851705283 634480258 /nfs/dbraw/zinc/48/02/58/634480258.db2.gz GZFRPHJPBHKVPL-LBPRGKRZSA-N 0 1 275.323 2.759 20 30 CFEDMN N#CCC1(CNCc2c(Cl)n[nH]c2C2CC2)CC1 ZINC000922084446 626205990 /nfs/dbraw/zinc/20/59/90/626205990.db2.gz IHQLPYCYJMWVSZ-UHFFFAOYSA-N 0 1 264.760 2.724 20 30 CFEDMN N#Cc1ccc(Br)c(CN[C@@H]2CC23CC3)c1 ZINC000922199300 626238599 /nfs/dbraw/zinc/23/85/99/626238599.db2.gz ZYIHKMJQTJDTMM-GFCCVEGCSA-N 0 1 277.165 2.963 20 30 CFEDMN CC(=O)N(C)c1ccc(CNCc2csc(C#N)c2)cc1 ZINC000922288723 626260186 /nfs/dbraw/zinc/26/01/86/626260186.db2.gz RGNOLSBWAKHGRA-UHFFFAOYSA-N 0 1 299.399 2.892 20 30 CFEDMN CC#CCN1CCC(NC(=O)c2c(C)cc(C)cc2C)CC1 ZINC001004105945 626283253 /nfs/dbraw/zinc/28/32/53/626283253.db2.gz PWKJJKSYBHPLEH-UHFFFAOYSA-N 0 1 298.430 2.829 20 30 CFEDMN CC#CCN1CCC(NC(=O)[C@]2(C)CC=C(C)CC2)CC1 ZINC001004189884 626299509 /nfs/dbraw/zinc/29/95/09/626299509.db2.gz RHUKFJLOTBBZJC-GOSISDBHSA-N 0 1 288.435 2.727 20 30 CFEDMN CC#CCN1CCC(NC(=O)[C@H]2CCCC(C)(C)C2)CC1 ZINC001004227367 626314154 /nfs/dbraw/zinc/31/41/54/626314154.db2.gz AHJKIZDYYSDXHN-HNNXBMFYSA-N 0 1 290.451 2.807 20 30 CFEDMN CCOc1cncc(CNCc2ccc(C)c(C#N)c2)c1 ZINC000922759125 626359715 /nfs/dbraw/zinc/35/97/15/626359715.db2.gz DEBKTFNMUVZTSW-UHFFFAOYSA-N 0 1 281.359 2.950 20 30 CFEDMN N#CC(C(=O)C[C@H]1C=CCC1)c1nnc2n1CCCCC2 ZINC000073973352 626401307 /nfs/dbraw/zinc/40/13/07/626401307.db2.gz ZEKOHXDLHYKWOR-STQMWFEESA-N 0 1 284.363 2.537 20 30 CFEDMN N#CC(C(=O)C[C@@H]1C=CCC1)c1nnc2n1CCCCC2 ZINC000073973361 626401496 /nfs/dbraw/zinc/40/14/96/626401496.db2.gz ZEKOHXDLHYKWOR-OLZOCXBDSA-N 0 1 284.363 2.537 20 30 CFEDMN CC#CCN1CCC(N(C)C(=O)C2CCCCCC2)CC1 ZINC001005161203 626412418 /nfs/dbraw/zinc/41/24/18/626412418.db2.gz KQXNSENHOPFANU-UHFFFAOYSA-N 0 1 290.451 2.903 20 30 CFEDMN C#CCN1CCC(N(C)C(=O)[C@@]2(C)CCC[C@H]2CC)CC1 ZINC001005584925 626417921 /nfs/dbraw/zinc/41/79/21/626417921.db2.gz XPQCCOQGLWPYON-QAPCUYQASA-N 0 1 290.451 2.759 20 30 CFEDMN N#Cc1ccc(CNC2([C@@H]3CCCCO3)CC2)c(F)c1 ZINC000923029592 626444979 /nfs/dbraw/zinc/44/49/79/626444979.db2.gz IPCROJAKZYPXQM-HNNXBMFYSA-N 0 1 274.339 2.889 20 30 CFEDMN C=C(C)CN1CC[C@@H](NC(=O)c2cscc2Cl)C1 ZINC001014840984 626452649 /nfs/dbraw/zinc/45/26/49/626452649.db2.gz ISDKDHKIUCFXNJ-SNVBAGLBSA-N 0 1 284.812 2.782 20 30 CFEDMN C=C1CCC(C(=O)N(C)C2CCN(CC#CC)CC2)CC1 ZINC001005939515 626452657 /nfs/dbraw/zinc/45/26/57/626452657.db2.gz WUDHOEMXAFGKIA-UHFFFAOYSA-N 0 1 288.435 2.679 20 30 CFEDMN C#CCN1CCC(N(C)C(=O)C2(C)CCCCC2)CC1 ZINC001005935674 626452849 /nfs/dbraw/zinc/45/28/49/626452849.db2.gz ZDOSNHFZYYOSJJ-UHFFFAOYSA-N 0 1 276.424 2.513 20 30 CFEDMN CCCCCCC[N@@H+]1C[C@@H](C(=O)[O-])[C@H](C2CC2)C1 ZINC000923531328 626478776 /nfs/dbraw/zinc/47/87/76/626478776.db2.gz RNXWFIXAPHUSTO-UONOGXRCSA-N 0 1 253.386 2.999 20 30 CFEDMN CC#CCN1CCC(N(C)C(=O)[C@H]2C[C@@]2(C)C(C)C)CC1 ZINC001006229985 626480924 /nfs/dbraw/zinc/48/09/24/626480924.db2.gz XBKWWWLARVXBHP-AEFFLSMTSA-N 0 1 290.451 2.615 20 30 CFEDMN C=C(Cl)CN1CCC2(C[C@@H]2NC(=O)c2ccoc2)CC1 ZINC001016508148 626481120 /nfs/dbraw/zinc/48/11/20/626481120.db2.gz UVKHLYAPLUZRPM-ZDUSSCGKSA-N 0 1 294.782 2.616 20 30 CFEDMN N#CC(C(=O)[C@@H]1CCC(=O)C1)c1cc(C(F)(F)F)ccn1 ZINC000842803220 626487764 /nfs/dbraw/zinc/48/77/64/626487764.db2.gz NUJJFFFEWJESTL-KCJUWKMLSA-N 0 1 296.248 2.646 20 30 CFEDMN C=CCOCCN[C@H]1COCc2cccc(Cl)c21 ZINC000788735736 626508785 /nfs/dbraw/zinc/50/87/85/626508785.db2.gz QXOKSBSRJGLUJO-ZDUSSCGKSA-N 0 1 267.756 2.704 20 30 CFEDMN C#CCC[C@@H](C)OC(=O)c1cc(-c2ccc(C)o2)n[nH]1 ZINC000839034756 626521566 /nfs/dbraw/zinc/52/15/66/626521566.db2.gz BFFDMFZINYWJCX-SNVBAGLBSA-N 0 1 272.304 2.937 20 30 CFEDMN CCO[C@@H](C(=O)Nc1cc(C#N)ccc1O)C1CCCC1 ZINC000867013250 626538011 /nfs/dbraw/zinc/53/80/11/626538011.db2.gz OZQFLNGSAUJZFZ-OAHLLOKOSA-N 0 1 288.347 2.798 20 30 CFEDMN CCCCCCCCC(=O)N1CCN(C[C@@H](C)O)C[C@H]1C ZINC000788157283 626538659 /nfs/dbraw/zinc/53/86/59/626538659.db2.gz UHADNFOINPGHIE-HZPDHXFCSA-N 0 1 298.471 2.651 20 30 CFEDMN CCCCCCCCC(=O)N1CCN(C[C@H](C)O)C[C@@H]1C ZINC000788157282 626538747 /nfs/dbraw/zinc/53/87/47/626538747.db2.gz UHADNFOINPGHIE-HOTGVXAUSA-N 0 1 298.471 2.651 20 30 CFEDMN C#CC[C@@H](NCc1cc(C(N)=O)cs1)c1ccccc1 ZINC000756995181 626543144 /nfs/dbraw/zinc/54/31/44/626543144.db2.gz DHSQUBASZYIFGN-OAHLLOKOSA-N 0 1 284.384 2.701 20 30 CFEDMN C#CC[C@@H](NCc1cccc(C(N)=O)c1)c1ccccc1 ZINC000756997204 626543307 /nfs/dbraw/zinc/54/33/07/626543307.db2.gz WGNWKSMQIUSVSM-QGZVFWFLSA-N 0 1 278.355 2.640 20 30 CFEDMN Cc1nn(C)c(Cl)c1/C=C/C(=O)c1ccc(O)cc1O ZINC000757466980 626552951 /nfs/dbraw/zinc/55/29/51/626552951.db2.gz AJCMMPFMJGOMDT-AATRIKPKSA-N 0 1 292.722 2.689 20 30 CFEDMN Cc1cc(N=NC2C[C@H](C)N(Cc3ccccc3)C2)ncn1 ZINC000757573454 626555619 /nfs/dbraw/zinc/55/56/19/626555619.db2.gz AEOVZKWRIDEZPO-AWEZNQCLSA-N 0 1 295.390 2.847 20 30 CFEDMN C#CC(=O)Nc1ccc2nc(-c3ccccc3)[nH]c2c1 ZINC000757641905 626557011 /nfs/dbraw/zinc/55/70/11/626557011.db2.gz ISPVVWNKATVNRC-UHFFFAOYSA-N 0 1 261.284 2.802 20 30 CFEDMN C#CCCCC(=O)N[C@H]1CC[N@H+]([C@@H](C)c2ccccc2)C1 ZINC000757858645 626565598 /nfs/dbraw/zinc/56/55/98/626565598.db2.gz PMMVIPYIGUIQKM-RDJZCZTQSA-N 0 1 284.403 2.742 20 30 CFEDMN Cc1cc(=O)[nH]c(N=NC=CCc2ccc(F)cc2F)n1 ZINC000758069932 626575544 /nfs/dbraw/zinc/57/55/44/626575544.db2.gz OVPQKQUREAOCPO-BASDRIDLSA-N 0 1 290.273 2.880 20 30 CFEDMN C[C@H](CC#N)NN=Cc1cc(Cl)c(O)cc1Cl ZINC000758117744 626577181 /nfs/dbraw/zinc/57/71/81/626577181.db2.gz HFDICCVFUIGOGD-SSDOTTSWSA-N 0 1 272.135 2.925 20 30 CFEDMN N#Cc1cccn(CN2CCC[C@H]2C2CCCCC2)c1=O ZINC000758191236 626581164 /nfs/dbraw/zinc/58/11/64/626581164.db2.gz OGQOEKHGYSSBDO-INIZCTEOSA-N 0 1 285.391 2.722 20 30 CFEDMN Cc1ccccc1[C@@H]1CCCN1Cn1cccc(C#N)c1=O ZINC000758189399 626581191 /nfs/dbraw/zinc/58/11/91/626581191.db2.gz JCMQGDGCYXZWLT-KRWDZBQOSA-N 0 1 293.370 2.823 20 30 CFEDMN Cc1ccn(CN2CC[C@H](C)[C@H]3CCCC[C@H]32)c(=O)c1C#N ZINC000758205560 626582470 /nfs/dbraw/zinc/58/24/70/626582470.db2.gz MSGIFUGZECEQOC-YSVLISHTSA-N 0 1 299.418 2.887 20 30 CFEDMN CCC[C@H]1[C@H](C)CCCN1Cn1ccc(C)c(C#N)c1=O ZINC000758232358 626584308 /nfs/dbraw/zinc/58/43/08/626584308.db2.gz QFNSTZADDNPSQI-ZBFHGGJFSA-N 0 1 287.407 2.887 20 30 CFEDMN C=C[C@H](CC(=O)NCc1cc(CC)[nH]n1)c1ccccc1 ZINC000759081506 626627816 /nfs/dbraw/zinc/62/78/16/626627816.db2.gz HQHUDHXVFUKVIC-CYBMUJFWSA-N 0 1 283.375 2.948 20 30 CFEDMN C#CCNC(=O)CN1CCC[C@H]1c1ccc(C(C)C)cc1 ZINC000759335802 626646102 /nfs/dbraw/zinc/64/61/02/626646102.db2.gz ADCCWZGDOHJTOU-KRWDZBQOSA-N 0 1 284.403 2.696 20 30 CFEDMN C#CCN(CC#CC)CCC(=O)Nc1ccc(Cl)cc1 ZINC000759365473 626650860 /nfs/dbraw/zinc/65/08/60/626650860.db2.gz QJSNQLUDULIENI-UHFFFAOYSA-N 0 1 288.778 2.627 20 30 CFEDMN CCCCCCCCC(=O)N1CCN([C@@H](CC)CO)CC1 ZINC000759628617 626678025 /nfs/dbraw/zinc/67/80/25/626678025.db2.gz SYXJCGLQLOQQRA-INIZCTEOSA-N 0 1 298.471 2.652 20 30 CFEDMN COC1CCC(CC(=O)Nc2cc(C#N)ccc2O)CC1 ZINC000759720647 626687006 /nfs/dbraw/zinc/68/70/06/626687006.db2.gz QMTJZYRWTCSKPN-UHFFFAOYSA-N 0 1 288.347 2.798 20 30 CFEDMN COc1ccccc1NC(=O)C(C#N)C(=O)[C@@H]1CC12CCC2 ZINC000759834218 626694739 /nfs/dbraw/zinc/69/47/39/626694739.db2.gz NAXANAICLWKKJX-RYUDHWBXSA-N 0 1 298.342 2.533 20 30 CFEDMN Cc1nc(C2CC2)oc1C(=O)Nc1cc(C#N)ccc1O ZINC000760017896 626709755 /nfs/dbraw/zinc/70/97/55/626709755.db2.gz CJQLGHPXRYICNP-UHFFFAOYSA-N 0 1 283.287 2.690 20 30 CFEDMN N#CC(C(=O)CCCc1ccsc1)c1ccncn1 ZINC000760337686 626736469 /nfs/dbraw/zinc/73/64/69/626736469.db2.gz BAHXFHPRRBTFQA-GFCCVEGCSA-N 0 1 271.345 2.737 20 30 CFEDMN CC[C@@H](Oc1ccccc1C)C(=O)C(C#N)c1ccncn1 ZINC000760358155 626739067 /nfs/dbraw/zinc/73/90/67/626739067.db2.gz NKZWSZZLEVSGGY-DZGCQCFKSA-N 0 1 295.342 2.819 20 30 CFEDMN N#CC(C(=O)C=Cc1ccc2[nH]ccc2c1)c1ccncn1 ZINC000760358468 626740044 /nfs/dbraw/zinc/74/00/44/626740044.db2.gz PHQQOVDKZNHLGX-PMUGQKEBSA-N 0 1 288.310 2.848 20 30 CFEDMN Clc1ccccc1C=NNc1ccc(-n2ccnc2)nn1 ZINC000761833575 626862387 /nfs/dbraw/zinc/86/23/87/626862387.db2.gz AFBGHMICSGYNII-UHFFFAOYSA-N 0 1 298.737 2.762 20 30 CFEDMN CCc1cccc2c(C=NNc3cnn(C)c3)c[nH]c21 ZINC000761867933 626867111 /nfs/dbraw/zinc/86/71/11/626867111.db2.gz DVEBCFFFPURQAC-UHFFFAOYSA-N 0 1 267.336 2.910 20 30 CFEDMN Cn1cc(N=NC2CCc3c2cccc3Cl)cn1 ZINC000761868615 626867678 /nfs/dbraw/zinc/86/76/78/626867678.db2.gz IAUTWQDVAUGGFH-UHFFFAOYSA-N 0 1 260.728 2.836 20 30 CFEDMN CC(N=Nc1cnn(C)c1)c1ccc(F)cc1OC(F)F ZINC000761868746 626867714 /nfs/dbraw/zinc/86/77/14/626867714.db2.gz JHHMLGRQDIVQGC-UHFFFAOYSA-N 0 1 298.268 2.997 20 30 CFEDMN Cn1cc(N=NCc2ccc(OC(F)(F)F)cc2)cn1 ZINC000761886371 626870085 /nfs/dbraw/zinc/87/00/85/626870085.db2.gz ZBZVJNZGZXYXMR-UHFFFAOYSA-N 0 1 284.241 2.765 20 30 CFEDMN C#CCCc1noc(-c2cc(-c3ccc(F)cc3)n[nH]2)n1 ZINC000762011157 626880129 /nfs/dbraw/zinc/88/01/29/626880129.db2.gz GVTJKUABEMPHRC-UHFFFAOYSA-N 0 1 282.278 2.832 20 30 CFEDMN COCC#CCN1CCC[C@H]1COc1ccc(Cl)cc1 ZINC000762916480 626949849 /nfs/dbraw/zinc/94/98/49/626949849.db2.gz HORLFMFPMIPBIB-HNNXBMFYSA-N 0 1 293.794 2.833 20 30 CFEDMN COCC#CCN1CCC(c2cccc(F)c2)CC1 ZINC000762926842 626951000 /nfs/dbraw/zinc/95/10/00/626951000.db2.gz VZHNRPLVBNVKIA-UHFFFAOYSA-N 0 1 261.340 2.655 20 30 CFEDMN COCC#CCN1CCC(c2ccc(F)cc2)CC1 ZINC000762926020 626951258 /nfs/dbraw/zinc/95/12/58/626951258.db2.gz NKDSBLZZHVJPPK-UHFFFAOYSA-N 0 1 261.340 2.655 20 30 CFEDMN C(#Cc1ccccc1)CNCc1ccc2c(c1)COC2 ZINC000763434400 626989177 /nfs/dbraw/zinc/98/91/77/626989177.db2.gz NVFZTIKWQBLLPR-UHFFFAOYSA-N 0 1 263.340 2.858 20 30 CFEDMN Cc1cc(C(C#N)C(=O)C2Cc3ccccc3C2)nc(C)n1 ZINC000763928143 627022542 /nfs/dbraw/zinc/02/25/42/627022542.db2.gz BAPZQNMFWMOOPK-MRXNPFEDSA-N 0 1 291.354 2.685 20 30 CFEDMN N#CC(C(=O)C1Cc2ccccc2C1)c1ccccn1 ZINC000763928095 627022587 /nfs/dbraw/zinc/02/25/87/627022587.db2.gz AJMFSAAKZABTDQ-OAHLLOKOSA-N 0 1 262.312 2.673 20 30 CFEDMN COc1ccc(CN(C)Cc2ccc(OCC#N)cc2)cn1 ZINC000764374793 627054075 /nfs/dbraw/zinc/05/40/75/627054075.db2.gz ZKLYTLXBFBKKKW-UHFFFAOYSA-N 0 1 297.358 2.625 20 30 CFEDMN O=c1ccc2c([nH]1)CCCC2=NNc1nc2ccccc2[nH]1 ZINC000764659781 627080950 /nfs/dbraw/zinc/08/09/50/627080950.db2.gz PDBASDDJAVHUJH-UHFFFAOYSA-N 0 1 293.330 2.816 20 30 CFEDMN CC[C@H](C(=O)[C@H](C#N)C(=O)NC1CC1)C1CCC(C)CC1 ZINC000764757731 627090899 /nfs/dbraw/zinc/09/08/99/627090899.db2.gz BKOOOPVVWAENRX-FWIFWCIWSA-N 0 1 290.407 2.826 20 30 CFEDMN CC(C)c1ccsc1C(=O)N=C1C[C@H](C)ON1 ZINC000765377725 627132604 /nfs/dbraw/zinc/13/26/04/627132604.db2.gz VLAKEUIXRZLYPI-QMMMGPOBSA-N 0 1 252.339 2.724 20 30 CFEDMN C[C@H]1CC(NC(=O)c2cc(Cl)cc3cccnc32)=NO1 ZINC000765375345 627133364 /nfs/dbraw/zinc/13/33/64/627133364.db2.gz HEIQLLWNMCZRAG-QMMMGPOBSA-N 0 1 289.722 2.740 20 30 CFEDMN FC(F)(F)c1csc(N=NC2CCN3CCC[C@H]23)n1 ZINC000765579465 627148544 /nfs/dbraw/zinc/14/85/44/627148544.db2.gz BFULKJSKRFOVOQ-MRVPVSSYSA-N 0 1 290.314 2.798 20 30 CFEDMN C#CCOc1ccc([C@H](C)NCc2cc(CC)n[nH]2)cc1 ZINC000765992258 627170007 /nfs/dbraw/zinc/17/00/07/627170007.db2.gz HZTGWNXJDQQHMC-ZDUSSCGKSA-N 0 1 283.375 2.835 20 30 CFEDMN C#Cc1cccc(NC(=O)N2C[C@H](C)N(CC)C[C@@H]2C)c1 ZINC000766328490 627195663 /nfs/dbraw/zinc/19/56/63/627195663.db2.gz YZMYDYDPCDPPHC-KBPBESRZSA-N 0 1 285.391 2.614 20 30 CFEDMN COC(=O)c1coc(C(C)N=Nc2ncccc2C)c1 ZINC000766478731 627205161 /nfs/dbraw/zinc/20/51/61/627205161.db2.gz UOYLBZVTNHEDGT-UHFFFAOYSA-N 0 1 273.292 2.606 20 30 CFEDMN COC(=O)c1coc(C(C)=N[N-]c2[nH+]cccc2C)c1 ZINC000766478731 627205164 /nfs/dbraw/zinc/20/51/64/627205164.db2.gz UOYLBZVTNHEDGT-UHFFFAOYSA-N 0 1 273.292 2.606 20 30 CFEDMN C#CCCCN(C)Cc1ccn(-c2ccccc2)n1 ZINC000766896233 627225329 /nfs/dbraw/zinc/22/53/29/627225329.db2.gz YFMJBYVKFRPQNM-UHFFFAOYSA-N 0 1 253.349 2.718 20 30 CFEDMN C#CCCCNC1(c2noc(C)n2)CCCCCC1 ZINC000766915129 627226835 /nfs/dbraw/zinc/22/68/35/627226835.db2.gz ZLFIXNLLRLEGLB-UHFFFAOYSA-N 0 1 261.369 2.931 20 30 CFEDMN C[C@H](c1ccccc1)[C@H](CO)NCc1ccc(F)cc1C#N ZINC000766970452 627229250 /nfs/dbraw/zinc/22/92/50/627229250.db2.gz GTVOPQVHUATDTH-ACJLOTCBSA-N 0 1 298.361 2.952 20 30 CFEDMN C#CCOCCN1CCc2cc(-c3ccccc3)oc2C1 ZINC000851851227 634557045 /nfs/dbraw/zinc/55/70/45/634557045.db2.gz IYJOPHWHNSFPQC-UHFFFAOYSA-N 0 1 281.355 2.955 20 30 CFEDMN C[C@H]1CC(N=Nc2ccncc2)CN(Cc2ccccc2)C1 ZINC000767384845 627246965 /nfs/dbraw/zinc/24/69/65/627246965.db2.gz CKDXYEUVTFUQMD-HNNXBMFYSA-N 0 1 294.402 2.813 20 30 CFEDMN C#C[C@@H](NCc1ccc(C)c(Cl)c1)[C@@H]1CCCO1 ZINC000767684952 627274374 /nfs/dbraw/zinc/27/43/74/627274374.db2.gz REKAMPYIDVGJBS-CABCVRRESA-N 0 1 263.768 2.919 20 30 CFEDMN Fc1cc(F)c(C=NNc2ccc(Cl)nn2)cc1F ZINC000767747606 627281524 /nfs/dbraw/zinc/28/15/24/627281524.db2.gz ZGOFNQISXFXZKC-UHFFFAOYSA-N 0 1 286.644 2.993 20 30 CFEDMN Clc1cnccc1NN=Cc1cc(-c2ccccc2)[nH]n1 ZINC000767792661 627285713 /nfs/dbraw/zinc/28/57/13/627285713.db2.gz NZPMEJBZCVRBKS-UHFFFAOYSA-N 0 1 297.749 2.993 20 30 CFEDMN COc1ccc(N=NC(C)c2cscn2)c([N+](=O)[O-])c1 ZINC000767900858 627292929 /nfs/dbraw/zinc/29/29/29/627292929.db2.gz MTPIGTJNTVKWRJ-UHFFFAOYSA-N 0 1 292.320 2.896 20 30 CFEDMN COc1cc([N+](=O)[O-])ccc1N=NC(C)c1cscn1 ZINC000767908380 627293708 /nfs/dbraw/zinc/29/37/08/627293708.db2.gz QZEDONHMXWPFNR-UHFFFAOYSA-N 0 1 292.320 2.896 20 30 CFEDMN C[C@H]1CCC[C@H](C=NNCCN2CCCCC2)C1 ZINC000768359203 627336392 /nfs/dbraw/zinc/33/63/92/627336392.db2.gz BBUCNLMFQQDGGS-GJZGRUSLSA-N 0 1 251.418 2.874 20 30 CFEDMN N#Cc1cc(Cl)nc(N=NCc2cncs2)c1 ZINC000768380591 627338880 /nfs/dbraw/zinc/33/88/80/627338880.db2.gz BXGLTMYZTWCCKG-UHFFFAOYSA-N 0 1 263.713 2.509 20 30 CFEDMN C#CCCN(CC(F)(F)F)C(=O)c1cccc2n[nH]cc21 ZINC000768618452 627358499 /nfs/dbraw/zinc/35/84/99/627358499.db2.gz RCSPRNRPOFTGSJ-UHFFFAOYSA-N 0 1 295.264 2.591 20 30 CFEDMN CCCCCCCC(=O)N1C[C@@H](C)N(C)C[C@H]1C ZINC000768841066 627378262 /nfs/dbraw/zinc/37/82/62/627378262.db2.gz GHTLMKUTDWGUSS-ZIAGYGMSSA-N 0 1 254.418 2.898 20 30 CFEDMN Cc1cccc2nc([C@@H](C#N)C(=O)[C@H]3C[C@@H]3C)[nH]c21 ZINC000769300504 627421096 /nfs/dbraw/zinc/42/10/96/627421096.db2.gz QRYCKBYCQOBHHT-DCAQKATOSA-N 0 1 253.305 2.704 20 30 CFEDMN Cn1cc(CN=Nc2ccc(F)cn2)c(C(C)(C)C)n1 ZINC000769584212 627458041 /nfs/dbraw/zinc/45/80/41/627458041.db2.gz GNSYYNNEWBFONU-UHFFFAOYSA-N 0 1 275.331 2.698 20 30 CFEDMN C#CCOc1ccccc1CNCc1cccc2nccn21 ZINC000769690339 627466056 /nfs/dbraw/zinc/46/60/56/627466056.db2.gz IEEWTEQJBNVLNX-UHFFFAOYSA-N 0 1 291.354 2.636 20 30 CFEDMN FC(F)(F)CNN=Cc1cc(-c2ccccc2)[nH]n1 ZINC000769821115 627478437 /nfs/dbraw/zinc/47/84/37/627478437.db2.gz HOOVLWZSSWIIQP-UHFFFAOYSA-N 0 1 268.242 2.563 20 30 CFEDMN C[C@H]1CN(C)CC1N=Nc1c(F)cccc1Cl ZINC000769826511 627479520 /nfs/dbraw/zinc/47/95/20/627479520.db2.gz FOMMKSKIQXKFMU-QMMMGPOBSA-N 0 1 255.724 2.829 20 30 CFEDMN C#C[C@@H](C)N(C)Cc1ccc(OC)c(Br)c1 ZINC000769975964 627493319 /nfs/dbraw/zinc/49/33/19/627493319.db2.gz QKUAMMIWTKCFHB-SNVBAGLBSA-N 0 1 282.181 2.911 20 30 CFEDMN C#CCOc1ccc(CN[C@@H](CO)c2ccsc2)cc1 ZINC000769931579 627488887 /nfs/dbraw/zinc/48/88/87/627488887.db2.gz AKPMRXIJDDSYFJ-INIZCTEOSA-N 0 1 287.384 2.583 20 30 CFEDMN COCC#CCOC(=O)c1[nH]c(-c2cccc(C)c2)nc1C ZINC000772101929 627673100 /nfs/dbraw/zinc/67/31/00/627673100.db2.gz HGPIOXJQUAYFGE-UHFFFAOYSA-N 0 1 298.342 2.500 20 30 CFEDMN C=C(C)CN1C[C@H](C)N(C(=O)OC(C)(C)C)C[C@@H]1C ZINC000772324889 627701697 /nfs/dbraw/zinc/70/16/97/627701697.db2.gz SNUYUPCGFCIEGT-STQMWFEESA-N 0 1 268.401 2.892 20 30 CFEDMN CC(C)c1nccnc1NN=C1COc2ccc(F)cc21 ZINC000773085924 627782145 /nfs/dbraw/zinc/78/21/45/627782145.db2.gz NKKMBEHHVYDCTL-UHFFFAOYSA-N 0 1 286.310 2.948 20 30 CFEDMN CS[C@H](C)CCC(=O)C(C#N)C(=O)NC1CCCCC1 ZINC000773770733 627857359 /nfs/dbraw/zinc/85/73/59/627857359.db2.gz PCPIVLDVPCAFBR-DGCLKSJQSA-N 0 1 296.436 2.676 20 30 CFEDMN CS[C@@H](C)CCC(=O)C(C#N)C(=O)NC1CCCCC1 ZINC000773770732 627857657 /nfs/dbraw/zinc/85/76/57/627857657.db2.gz PCPIVLDVPCAFBR-AAEUAGOBSA-N 0 1 296.436 2.676 20 30 CFEDMN Cc1ccc(N[C@@H]2CCC[C@H](C#N)C2)c(N(C)C)n1 ZINC000774300942 627913406 /nfs/dbraw/zinc/91/34/06/627913406.db2.gz GGKYLQLDTQKXBK-QWHCGFSZSA-N 0 1 258.369 2.950 20 30 CFEDMN CN(C)c1nccc(N=NC2CCCNc3ccccc32)n1 ZINC000774386524 627920459 /nfs/dbraw/zinc/92/04/59/627920459.db2.gz BPEFZSLRVVESBS-UHFFFAOYSA-N 0 1 296.378 2.565 20 30 CFEDMN CCC(CC)CNN=Cc1cn(-c2ccncc2)nc1C ZINC000774462854 627929876 /nfs/dbraw/zinc/92/98/76/627929876.db2.gz PLNMNMFJMRVPEC-UHFFFAOYSA-N 0 1 285.395 2.935 20 30 CFEDMN COC(=O)[C@H](C)n1cccc1CN=Nc1ccccc1F ZINC000774589065 627939681 /nfs/dbraw/zinc/93/96/81/627939681.db2.gz HJJBNGBQAPMOBV-NSHDSACASA-N 0 1 289.310 2.807 20 30 CFEDMN N#Cc1csc(CNCc2n[nH]c(-c3ccccc3)n2)c1 ZINC000774814688 627966198 /nfs/dbraw/zinc/96/61/98/627966198.db2.gz KQQVQMBYMNFTIW-UHFFFAOYSA-N 0 1 295.371 2.695 20 30 CFEDMN N#Cc1csc(CNCc2nc(-c3ccccc3)n[nH]2)c1 ZINC000774814688 627966199 /nfs/dbraw/zinc/96/61/99/627966199.db2.gz KQQVQMBYMNFTIW-UHFFFAOYSA-N 0 1 295.371 2.695 20 30 CFEDMN C#Cc1cccc(NC(=O)CN(C)CC2(C)CCC2)c1 ZINC000774844403 627969296 /nfs/dbraw/zinc/96/92/96/627969296.db2.gz AHJGSPAKQDITAH-UHFFFAOYSA-N 0 1 270.376 2.728 20 30 CFEDMN N#Cc1cccc(COC(=O)[C@@H]2CCCc3[nH]ncc32)c1F ZINC000774967881 627982482 /nfs/dbraw/zinc/98/24/82/627982482.db2.gz AZYFJPVGHCEHDK-GFCCVEGCSA-N 0 1 299.305 2.584 20 30 CFEDMN C#C[C@@H](C)[N@H+](C)Cc1cc(Br)ccc1[O-] ZINC000775184033 627999027 /nfs/dbraw/zinc/99/90/27/627999027.db2.gz SQJFSTBCQZCUQB-SECBINFHSA-N 0 1 268.154 2.608 20 30 CFEDMN C#C[C@@H](C)[N@@H+](C)Cc1cc(Br)ccc1[O-] ZINC000775184033 627999029 /nfs/dbraw/zinc/99/90/29/627999029.db2.gz SQJFSTBCQZCUQB-SECBINFHSA-N 0 1 268.154 2.608 20 30 CFEDMN C#C[C@H](NCc1ccc(C(F)(F)F)cc1)[C@@H]1CCCO1 ZINC000775340066 628011406 /nfs/dbraw/zinc/01/14/06/628011406.db2.gz FVGXQAMIVFZOCP-KBPBESRZSA-N 0 1 283.293 2.976 20 30 CFEDMN C#C[C@@H](NCc1ccc(OCC(C)C)cc1)[C@H]1CCCO1 ZINC000775339639 628011444 /nfs/dbraw/zinc/01/14/44/628011444.db2.gz CQQLQGHNQVSVMC-QZTJIDSGSA-N 0 1 287.403 2.992 20 30 CFEDMN C#C[C@@H](NCc1ccc(F)c(Cl)c1)[C@@H]1CCCO1 ZINC000775342466 628012297 /nfs/dbraw/zinc/01/22/97/628012297.db2.gz RQGGUDHYRJZLAO-KGLIPLIRSA-N 0 1 267.731 2.750 20 30 CFEDMN C#C[C@@H](NCc1ccc2c(c1)CC(C)(C)O2)[C@H]1CCCO1 ZINC000775342299 628012398 /nfs/dbraw/zinc/01/23/98/628012398.db2.gz QFYSJMYCTXUUPH-NVXWUHKLSA-N 0 1 285.387 2.671 20 30 CFEDMN C#C[C@H](NCc1cccc(OCC=C)c1)[C@@H]1CCCO1 ZINC000775341157 628012622 /nfs/dbraw/zinc/01/26/22/628012622.db2.gz KHNKDJINMCHYIV-IRXDYDNUSA-N 0 1 271.360 2.522 20 30 CFEDMN C#C[C@H](NCc1ccc(Cl)c(F)c1)[C@@H]1CCCO1 ZINC000775342395 628012921 /nfs/dbraw/zinc/01/29/21/628012921.db2.gz QTRFXLAGDRAMOH-KBPBESRZSA-N 0 1 267.731 2.750 20 30 CFEDMN C#C[C@H](NCc1cccc(OCCCC#N)c1)[C@H]1CCCO1 ZINC000775343706 628013279 /nfs/dbraw/zinc/01/32/79/628013279.db2.gz XJENYSICUQHIPS-ZWKOTPCHSA-N 0 1 298.386 2.640 20 30 CFEDMN C#C[C@H](NCc1ccc(OC(F)F)c(F)c1)[C@H]1CCCO1 ZINC000775343886 628013415 /nfs/dbraw/zinc/01/34/15/628013415.db2.gz ZGQIPTSQXJOQDB-GXTWGEPZSA-N 0 1 299.292 2.698 20 30 CFEDMN CC(C)[C@H](NCC(=O)NCCC#N)c1ccccc1Cl ZINC000775434956 628026285 /nfs/dbraw/zinc/02/62/85/628026285.db2.gz RKNQXOXCYCJRQF-HNNXBMFYSA-N 0 1 293.798 2.657 20 30 CFEDMN C#C[C@H](N[C@H](C)c1ccc(OCC)cc1)[C@H]1CCCO1 ZINC000775571305 628039598 /nfs/dbraw/zinc/03/95/98/628039598.db2.gz DYZWGFXAUSSXNK-XOKHGSTOSA-N 0 1 273.376 2.917 20 30 CFEDMN C#C[C@H](N[C@H](C)c1ccc(OCC)cc1)[C@@H]1CCCO1 ZINC000775571302 628039653 /nfs/dbraw/zinc/03/96/53/628039653.db2.gz DYZWGFXAUSSXNK-COXVUDFISA-N 0 1 273.376 2.917 20 30 CFEDMN C#C[C@H](N[C@H](C)c1ccc2c(c1)COC2)[C@H]1CCCO1 ZINC000775571970 628040882 /nfs/dbraw/zinc/04/08/82/628040882.db2.gz NJUCQGUFWGZQPO-OAUYIBNBSA-N 0 1 271.360 2.548 20 30 CFEDMN C#C[C@H](N[C@@H]1CCCc2nc(CC)sc21)[C@@H]1CCCO1 ZINC000775572013 628041022 /nfs/dbraw/zinc/04/10/22/628041022.db2.gz NUYDVMZCBXIVIQ-SCRDCRAPSA-N 0 1 290.432 2.853 20 30 CFEDMN C#C[C@H](N[C@@H](C)c1cc([N+](=O)[O-])ccc1C)[C@H]1CCCO1 ZINC000775573359 628041509 /nfs/dbraw/zinc/04/15/09/628041509.db2.gz HNBIWTKTZORPCA-VBNZEHGJSA-N 0 1 288.347 2.735 20 30 CFEDMN C#C[C@H](N[C@@H](C)c1sc(CC)nc1C)[C@@H]1CCCO1 ZINC000775573958 628041736 /nfs/dbraw/zinc/04/17/36/628041736.db2.gz MADZOXKYMCTSRU-DRZSPHRISA-N 0 1 278.421 2.845 20 30 CFEDMN C#C[C@H](N[C@H]1CCCc2ccc(F)cc21)[C@@H]1CCCO1 ZINC000775575882 628042578 /nfs/dbraw/zinc/04/25/78/628042578.db2.gz ZZSLVXVVOSCCIS-ULQDDVLXSA-N 0 1 273.351 2.974 20 30 CFEDMN C#C[C@H](NCc1cc(F)cc2cccnc21)[C@H]1CCCO1 ZINC000775794613 628069504 /nfs/dbraw/zinc/06/95/04/628069504.db2.gz JJPSEWBKFQEQQC-JKSUJKDBSA-N 0 1 284.334 2.644 20 30 CFEDMN C#C[C@H](NCc1cncc2ccccc21)[C@@H]1CCCO1 ZINC000775795235 628070032 /nfs/dbraw/zinc/07/00/32/628070032.db2.gz VLINJVZJIOEUGC-IRXDYDNUSA-N 0 1 266.344 2.505 20 30 CFEDMN CC[C@@]1(C)COCCN1Cc1ccc(O[C@H](C)C#N)cc1 ZINC000775981628 628089819 /nfs/dbraw/zinc/08/98/19/628089819.db2.gz SDLMXXMUHZLNFK-PBHICJAKSA-N 0 1 288.391 2.978 20 30 CFEDMN CN(C)c1ccncc1C=[NH+][N-]c1ncnc2sccc21 ZINC000776186141 628112628 /nfs/dbraw/zinc/11/26/28/628112628.db2.gz URDRROXJWCKJTA-UHFFFAOYSA-N 0 1 298.375 2.598 20 30 CFEDMN Cc1cc(C(=O)N=C2C[C@H](C)ON2)nn1C1CCCCC1 ZINC000776487254 628153570 /nfs/dbraw/zinc/15/35/70/628153570.db2.gz IGDGJVINHFXUNZ-NSHDSACASA-N 0 1 290.367 2.549 20 30 CFEDMN C#CCCN1CCN([C@H]2CCc3c2cccc3Cl)CC1 ZINC000776593748 628163454 /nfs/dbraw/zinc/16/34/54/628163454.db2.gz YVOMHDPVUNUTBC-KRWDZBQOSA-N 0 1 288.822 2.968 20 30 CFEDMN Cc1ccc(F)cc1C=NNc1ccc(-n2cccn2)nn1 ZINC000777882997 628261185 /nfs/dbraw/zinc/26/11/85/628261185.db2.gz OJZGLBFOFUCCSY-UHFFFAOYSA-N 0 1 296.309 2.556 20 30 CFEDMN COC(=O)c1ccc(C=NNc2cc(Cl)ccn2)cc1 ZINC000777906820 628264688 /nfs/dbraw/zinc/26/46/88/628264688.db2.gz HJWSTJXVONDAMH-UHFFFAOYSA-N 0 1 289.722 2.968 20 30 CFEDMN Clc1ccnc(N=NCc2n[nH]nc2-c2ccccc2)c1 ZINC000777913339 628264695 /nfs/dbraw/zinc/26/46/95/628264695.db2.gz KTDFYMZBXMZUPT-UHFFFAOYSA-N 0 1 298.737 2.966 20 30 CFEDMN C#C[C@@](C)(CC)N[C@@H](C)C(=O)Nc1ccc(CC)cc1 ZINC000852097311 634650825 /nfs/dbraw/zinc/65/08/25/634650825.db2.gz NSYNPELWBMXGMK-GUYCJALGSA-N 0 1 272.392 2.968 20 30 CFEDMN C[C@H](C(=O)OCC#Cc1ccccc1)N1CCCCCC1 ZINC000778609036 628320137 /nfs/dbraw/zinc/32/01/37/628320137.db2.gz HJGOMJNRCLCAKB-MRXNPFEDSA-N 0 1 285.387 2.846 20 30 CFEDMN C#C[C@H](Cc1ccccc1)OC(=O)[C@@H](CC)N(CC)CC ZINC000778688265 628324849 /nfs/dbraw/zinc/32/48/49/628324849.db2.gz FYHIYPGHEXMKBX-IAGOWNOFSA-N 0 1 287.403 2.895 20 30 CFEDMN C=CC[C@H](C(=O)NCc1cc(CC)[nH]n1)c1ccccc1 ZINC000778807144 628332839 /nfs/dbraw/zinc/33/28/39/628332839.db2.gz PCPFOYVCPKWQJU-INIZCTEOSA-N 0 1 283.375 2.948 20 30 CFEDMN C#CCOc1cccc(Cl)c1CN(C)C[C@@H]1CCOC1 ZINC000779164986 628357569 /nfs/dbraw/zinc/35/75/69/628357569.db2.gz WSGAKRTYLXGIPQ-ZDUSSCGKSA-N 0 1 293.794 2.820 20 30 CFEDMN CC(C)(C)CCN[C@@H]1CN(C(=O)OC(C)(C)C)C[C@@H]1C#N ZINC000779394675 628377983 /nfs/dbraw/zinc/37/79/83/628377983.db2.gz FFYBOLNPMBEGSV-QWHCGFSZSA-N 0 1 295.427 2.771 20 30 CFEDMN C#C[C@](C)(CC)NCc1cc(F)cc2c1OCOC2 ZINC000852098649 634651531 /nfs/dbraw/zinc/65/15/31/634651531.db2.gz RWGAKAQWEORYDC-OAHLLOKOSA-N 0 1 263.312 2.584 20 30 CFEDMN C#C[C@](C)(CC)N[C@H](C)C(=O)N1c2ccccc2C[C@H]1C ZINC000852098538 634652073 /nfs/dbraw/zinc/65/20/73/634652073.db2.gz PVEANTCECAXUNH-HBUWYVDXSA-N 0 1 284.403 2.744 20 30 CFEDMN C#C[C@](C)(CC)N[C@H](C)C(=O)Nc1ccccc1CC ZINC000852099363 634653005 /nfs/dbraw/zinc/65/30/05/634653005.db2.gz KRUAUIUWJICNJZ-CXAGYDPISA-N 0 1 272.392 2.968 20 30 CFEDMN C#C[C@](C)(CC)N[C@H](C)C(=O)Nc1cccc(F)c1 ZINC000852098977 634653073 /nfs/dbraw/zinc/65/30/73/634653073.db2.gz AHNVIFHERBWSGI-IAQYHMDHSA-N 0 1 262.328 2.544 20 30 CFEDMN C#C[C@](C)(CC)N[C@@H](C)C(=O)Nc1ccc(C)cc1F ZINC000852099359 634653269 /nfs/dbraw/zinc/65/32/69/634653269.db2.gz KQXDWWJPUWQSOV-BLLLJJGKSA-N 0 1 276.355 2.853 20 30 CFEDMN C#C[C@@](C)(CC)N[C@H](C)C(=O)Nc1ccc(C)cc1F ZINC000852099362 634653450 /nfs/dbraw/zinc/65/34/50/634653450.db2.gz KQXDWWJPUWQSOV-WBMJQRKESA-N 0 1 276.355 2.853 20 30 CFEDMN C[C@H]1CCN(Cc2ccccc2)CC1N=Nc1ccncc1 ZINC000779809881 628409239 /nfs/dbraw/zinc/40/92/39/628409239.db2.gz WWDNJPFLKGYXFA-HNNXBMFYSA-N 0 1 294.402 2.813 20 30 CFEDMN C#C[C@](C)(CC)N[C@@H]1CCCN(c2ccccc2F)C1=O ZINC000852100242 634654241 /nfs/dbraw/zinc/65/42/41/634654241.db2.gz GIOBRCKQNVIEMF-RHSMWYFYSA-N 0 1 288.366 2.713 20 30 CFEDMN C#C[C@@](C)(CC)N[C@H](C)C(=O)Nc1ccc(C)c(F)c1 ZINC000852100067 634654282 /nfs/dbraw/zinc/65/42/82/634654282.db2.gz SUFMDUUJMYFCDR-WBMJQRKESA-N 0 1 276.355 2.853 20 30 CFEDMN C#C[C@@](C)(CC)N[C@@H](C)C(=O)Nc1cccc(C(C)=O)c1 ZINC000852100230 634654472 /nfs/dbraw/zinc/65/44/72/634654472.db2.gz GHPPLUNUTROUFU-SJCJKPOMSA-N 0 1 286.375 2.608 20 30 CFEDMN C#CCCCCCC(=O)N1C[C@@H](C)N(CC)C[C@H]1C ZINC000780016086 628426856 /nfs/dbraw/zinc/42/68/56/628426856.db2.gz CMNAMGALPMIZCV-HUUCEWRRSA-N 0 1 264.413 2.511 20 30 CFEDMN C#C[C@@](C)(CC)NCc1cnc(OC)c(Cl)c1 ZINC000852101620 634655799 /nfs/dbraw/zinc/65/57/99/634655799.db2.gz RJYWWUZXGBRFAK-ZDUSSCGKSA-N 0 1 252.745 2.635 20 30 CFEDMN CC1(C)C[C@H](NN=Cc2cccc(Cl)c2O)CCO1 ZINC000780241344 628443213 /nfs/dbraw/zinc/44/32/13/628443213.db2.gz ODWFLLRTVPTJSD-LLVKDONJSA-N 0 1 282.771 2.927 20 30 CFEDMN CCCn1nc(C)c(CN=Nc2ccc(OC)cn2)c1C ZINC000780267301 628448040 /nfs/dbraw/zinc/44/80/40/628448040.db2.gz JPUDCZSTDMXONW-UHFFFAOYSA-N 0 1 287.367 2.760 20 30 CFEDMN CCOc1ccc(CN=Nc2ccc(OC)cn2)cc1 ZINC000780268859 628448640 /nfs/dbraw/zinc/44/86/40/628448640.db2.gz LMXGKWNPOUCIHG-UHFFFAOYSA-N 0 1 271.320 2.935 20 30 CFEDMN COc1ccc(N=NC(C)C2SC=CC2=O)nc1 ZINC000780268989 628448829 /nfs/dbraw/zinc/44/88/29/628448829.db2.gz YZNKPKMJFLMAOJ-UHFFFAOYSA-N 0 1 263.322 2.693 20 30 CFEDMN CCc1cnccc1C(C)N=Nc1ccc(OC)cn1 ZINC000780274508 628449090 /nfs/dbraw/zinc/44/90/90/628449090.db2.gz DRGHCALQQSEEQM-UHFFFAOYSA-N 0 1 270.336 2.884 20 30 CFEDMN COc1ccc(NN=C(C)c2cccc(C#N)c2)nc1 ZINC000780271684 628449232 /nfs/dbraw/zinc/44/92/32/628449232.db2.gz WKLRADVEOQYAIU-UHFFFAOYSA-N 0 1 266.304 2.798 20 30 CFEDMN COc1ccc(NN=C(C)c2ccc3[nH]c(=O)[nH]c3c2)nc1 ZINC000780271218 628449295 /nfs/dbraw/zinc/44/92/95/628449295.db2.gz QZCBIYCEWYSMAY-UHFFFAOYSA-N 0 1 297.318 2.508 20 30 CFEDMN COc1ccc(NN=C(C)c2ccccc2O)nc1 ZINC000780275580 628449601 /nfs/dbraw/zinc/44/96/01/628449601.db2.gz AMCFIQOZMFCYHU-UHFFFAOYSA-N 0 1 257.293 2.632 20 30 CFEDMN C#C[C@](C)(CC)N[C@@H]1CCN(c2ccc(Cl)cc2)C1=O ZINC000852102672 634656686 /nfs/dbraw/zinc/65/66/86/634656686.db2.gz NEZPJLRPAQDIDF-GDBMZVCRSA-N 0 1 290.794 2.837 20 30 CFEDMN C#C[C@](C)(CC)NCc1cncc(C(F)(F)F)c1 ZINC000852103327 634657917 /nfs/dbraw/zinc/65/79/17/634657917.db2.gz DOTQKQFTVDSXNE-GFCCVEGCSA-N 0 1 256.271 2.992 20 30 CFEDMN C=C(Cl)CN[C@H](C)c1ccc(-n2cncn2)cc1 ZINC000780826200 628499064 /nfs/dbraw/zinc/49/90/64/628499064.db2.gz XETVNEKQTNZQCV-LLVKDONJSA-N 0 1 262.744 2.670 20 30 CFEDMN Cc1ccc([C@@H](O)CN[C@H](C)c2ccc(C#N)cc2F)o1 ZINC000781423418 628547572 /nfs/dbraw/zinc/54/75/72/628547572.db2.gz QBZXORDLTKYDRR-ABAIWWIYSA-N 0 1 288.322 2.983 20 30 CFEDMN CC1(C)CC[C@H](C(=O)C(C#N)C(=O)NC2CCCCC2)C1 ZINC000781762786 628578569 /nfs/dbraw/zinc/57/85/69/628578569.db2.gz TUQKVHFIZUCVQG-JSGCOSHPSA-N 0 1 290.407 2.970 20 30 CFEDMN N#CCC1CCN(C[C@@H](O)c2ccc(F)cc2F)CC1 ZINC000782087927 628603660 /nfs/dbraw/zinc/60/36/60/628603660.db2.gz IEANCYMXYCELOS-OAHLLOKOSA-N 0 1 280.318 2.624 20 30 CFEDMN C(=NNCCN1CCCCC1)c1ccc2cnccc2c1 ZINC000782203882 628614427 /nfs/dbraw/zinc/61/44/27/628614427.db2.gz UHFSXYJPZWPMAA-UHFFFAOYSA-N 0 1 282.391 2.644 20 30 CFEDMN Cc1nc(F)ccc1/C=C/C(=O)c1ccc(O)cc1O ZINC000782342910 628630488 /nfs/dbraw/zinc/63/04/88/628630488.db2.gz SQWQSUQYDYIQCK-QHHAFSJGSA-N 0 1 273.263 2.836 20 30 CFEDMN C[C@H](NCC1(C#N)CC1)c1ccc(-n2ccnc2)cc1 ZINC000782967835 628666788 /nfs/dbraw/zinc/66/67/88/628666788.db2.gz CCEAXVHQQHSEOA-ZDUSSCGKSA-N 0 1 266.348 2.827 20 30 CFEDMN C[C@H]1CCCC[C@@H]1C=NNCCN1CCCCC1 ZINC000783827318 628747914 /nfs/dbraw/zinc/74/79/14/628747914.db2.gz NMNLBWKCQIGVRG-LSDHHAIUSA-N 0 1 251.418 2.874 20 30 CFEDMN C[C@H]1CCCC[C@H]1C=NNCCN1CCCCC1 ZINC000783827314 628748117 /nfs/dbraw/zinc/74/81/17/628748117.db2.gz NMNLBWKCQIGVRG-GJZGRUSLSA-N 0 1 251.418 2.874 20 30 CFEDMN CC(C)[C@H](F)C(=O)[C@H](C#N)C(=O)Nc1ccccc1Cl ZINC000784490988 628821210 /nfs/dbraw/zinc/82/12/10/628821210.db2.gz NZBWHVODJKCALK-CABZTGNLSA-N 0 1 296.729 2.981 20 30 CFEDMN Cc1cccc(NC(=O)C(C#N)C(=O)[C@@H](F)C(C)C)c1 ZINC000784491735 628821258 /nfs/dbraw/zinc/82/12/58/628821258.db2.gz YLFLOUZXQYDTIB-OLZOCXBDSA-N 0 1 276.311 2.637 20 30 CFEDMN C#CCCN1CCN(Cc2ccc(Cl)c(F)c2)CC1 ZINC000785478529 628886682 /nfs/dbraw/zinc/88/66/82/628886682.db2.gz NUDLLHJBMPGEMA-UHFFFAOYSA-N 0 1 280.774 2.620 20 30 CFEDMN C=CCCCCCN1CCN(C(=O)OCC)CC1 ZINC000785621601 628898869 /nfs/dbraw/zinc/89/88/69/628898869.db2.gz ZZJMSKZDZZKANK-UHFFFAOYSA-N 0 1 254.374 2.507 20 30 CFEDMN COc1ccc2c(c1)C(N=Nc1cnccn1)CCS2 ZINC000786036614 628931753 /nfs/dbraw/zinc/93/17/53/628931753.db2.gz CPJHVFSGTJBHCU-UHFFFAOYSA-N 0 1 286.360 2.797 20 30 CFEDMN C=CCCN(C)Cn1ncc(Br)c1C1CC1 ZINC000786100525 628936883 /nfs/dbraw/zinc/93/68/83/628936883.db2.gz AYLXCDRYYJPCLZ-UHFFFAOYSA-N 0 1 284.201 2.988 20 30 CFEDMN C=CCCN(C)CN1C[C@@H](c2ccccc2F)CC1=O ZINC000786102366 628936944 /nfs/dbraw/zinc/93/69/44/628936944.db2.gz WJBQXVLDDHPBQT-ZDUSSCGKSA-N 0 1 276.355 2.607 20 30 CFEDMN C=CCCN(C)CN1C[C@](C)(C2CCCC2)CC1=O ZINC000786100868 628937018 /nfs/dbraw/zinc/93/70/18/628937018.db2.gz FSQWHQALBOBOLG-MRXNPFEDSA-N 0 1 264.413 2.881 20 30 CFEDMN C=CCCCOC(=O)CC1(N2CCOCC2)CCCC1 ZINC000786097364 628937230 /nfs/dbraw/zinc/93/72/30/628937230.db2.gz VOMSDTOFOCDRRZ-UHFFFAOYSA-N 0 1 281.396 2.531 20 30 CFEDMN C#CCOc1cccc(NC(=O)c2ccc3cncn3c2)c1 ZINC000786117031 628938744 /nfs/dbraw/zinc/93/87/44/628938744.db2.gz LFYUGOBMQYMTAX-UHFFFAOYSA-N 0 1 291.310 2.599 20 30 CFEDMN Cc1cccc(CNC(=O)C(C#N)C(=O)[C@H]2C[C@H]2C(C)C)c1 ZINC000786543016 628967747 /nfs/dbraw/zinc/96/77/47/628967747.db2.gz QXXFJUWATWUDJS-HRCADAONSA-N 0 1 298.386 2.612 20 30 CFEDMN CC[C@@H](NC(=O)C(C#N)C(=O)[C@@H]1C[C@H]1C)c1ccccc1 ZINC000787033394 628989450 /nfs/dbraw/zinc/98/94/50/628989450.db2.gz UZZIZHHXHBVMMQ-NMFUWQPSSA-N 0 1 284.359 2.619 20 30 CFEDMN C#CCN1CCCC[C@H]1COC(=O)NC1CCCCC1 ZINC000805827895 628993389 /nfs/dbraw/zinc/99/33/89/628993389.db2.gz ZSUNRPDBMQSKGX-HNNXBMFYSA-N 0 1 278.396 2.533 20 30 CFEDMN C=C[C@H]1CCCCN1C(=O)c1nnc2ccccc2c1O ZINC000787681670 629025659 /nfs/dbraw/zinc/02/56/59/629025659.db2.gz QJITVRVIQNQKQJ-NSHDSACASA-N 0 1 283.331 2.516 20 30 CFEDMN C#Cc1ccc(CN2CCN(Cc3ccccc3)CC2)cc1 ZINC000787770767 629034321 /nfs/dbraw/zinc/03/43/21/629034321.db2.gz WBMTYZWDDOSFMU-UHFFFAOYSA-N 0 1 290.410 2.986 20 30 CFEDMN C#CCC1(C(=O)N2CCN(C)[C@H](C)[C@@H]2C)CCCCC1 ZINC000788238323 629052386 /nfs/dbraw/zinc/05/23/86/629052386.db2.gz LJDQQENWEBXAOL-CABCVRRESA-N 0 1 276.424 2.511 20 30 CFEDMN c1cc(-c2ccc(CN=Nc3ccccn3)o2)n[nH]1 ZINC000788413899 629065091 /nfs/dbraw/zinc/06/50/91/629065091.db2.gz DJTIRVCNHMKAIS-UHFFFAOYSA-N 0 1 253.265 2.511 20 30 CFEDMN Cc1nc(C(C)N=Nc2ccc(Br)cn2)co1 ZINC000789005292 629116190 /nfs/dbraw/zinc/11/61/90/629116190.db2.gz PLOQMEAAPMXPQY-UHFFFAOYSA-N 0 1 295.140 2.977 20 30 CFEDMN Cc1cc(C(=O)/C=C/c2cc(F)c(O)c(F)c2)n(C)n1 ZINC000789155545 629129454 /nfs/dbraw/zinc/12/94/54/629129454.db2.gz BUKUXFWUSXXGRR-ONEGZZNKSA-N 0 1 278.258 2.608 20 30 CFEDMN COc1cccc(C=NNc2cccc(F)c2F)n1 ZINC000790167365 629215127 /nfs/dbraw/zinc/21/51/27/629215127.db2.gz DDJCNDUMCOLHRN-UHFFFAOYSA-N 0 1 263.247 2.814 20 30 CFEDMN Nc1nc(Cl)cc(N=NCc2ccsc2Cl)n1 ZINC000790173375 629215852 /nfs/dbraw/zinc/21/58/52/629215852.db2.gz IFBFGPZRIBCYSD-UHFFFAOYSA-N 0 1 288.163 2.873 20 30 CFEDMN Cc1cccnc1N=NCc1ccc2c[nH]nc2c1 ZINC000790188386 629217189 /nfs/dbraw/zinc/21/71/89/629217189.db2.gz YIJFQPZMYPGJMP-UHFFFAOYSA-N 0 1 251.293 2.712 20 30 CFEDMN Cc1nc(CN=Nc2ncccc2C)c2ccccn12 ZINC000790186645 629217665 /nfs/dbraw/zinc/21/76/65/629217665.db2.gz OBODGLCIRMVQBS-UHFFFAOYSA-N 0 1 265.320 2.792 20 30 CFEDMN CC(=NNc1nc2ccccc2n1C)c1cc[nH]c(=O)c1 ZINC000790287332 629225716 /nfs/dbraw/zinc/22/57/16/629225716.db2.gz PSCKUTNOTSGBIM-UHFFFAOYSA-N 0 1 281.319 2.510 20 30 CFEDMN Cc1[nH]c2ccc(F)cc2c1C=NNc1nccn1C ZINC000790300298 629227291 /nfs/dbraw/zinc/22/72/91/629227291.db2.gz TZGCQVDOJRASJH-UHFFFAOYSA-N 0 1 271.299 2.795 20 30 CFEDMN CC(=NNc1nccn1C)c1cccc(F)c1F ZINC000790302649 629228229 /nfs/dbraw/zinc/22/82/29/629228229.db2.gz WKKKKUVPFISUJZ-UHFFFAOYSA-N 0 1 250.252 2.534 20 30 CFEDMN Cn1cc[nH+]c1[N-]N=Cc1ccccc1OC(F)(F)F ZINC000790305636 629229052 /nfs/dbraw/zinc/22/90/52/629229052.db2.gz LOVJNFBXBPIUNN-UHFFFAOYSA-N 0 1 284.241 2.765 20 30 CFEDMN C[C@@H](CN1CCC[C@H](CC#N)C1)NC(=O)OC(C)(C)C ZINC000852318952 634718670 /nfs/dbraw/zinc/71/86/70/634718670.db2.gz CPTXBQGHUYGEPD-QWHCGFSZSA-N 0 1 281.400 2.525 20 30 CFEDMN CC(=O)Oc1ccc(CN2CCC[C@H](CC#N)C2)cc1 ZINC000852320322 634721120 /nfs/dbraw/zinc/72/11/20/634721120.db2.gz YZEMEHGSYSTRJU-CQSZACIVSA-N 0 1 272.348 2.738 20 30 CFEDMN N#CC(C(=O)[C@H]1CCN(c2ccccc2)C1)c1ccccn1 ZINC000835061633 629364031 /nfs/dbraw/zinc/36/40/31/629364031.db2.gz UBLGGBIWHCZQBY-HOCLYGCPSA-N 0 1 291.354 2.784 20 30 CFEDMN C[C@@H]1CC[C@H](C(=O)C(C#N)C(=O)Nc2ccccn2)C[C@H]1C ZINC000835077821 629373520 /nfs/dbraw/zinc/37/35/20/629373520.db2.gz WZSNDXVUZMZYFB-YIYPIFLZSA-N 0 1 299.374 2.801 20 30 CFEDMN CCOC(=O)c1csc(C(C#N)C(=O)C=C(C)CC)n1 ZINC000835108250 629413718 /nfs/dbraw/zinc/41/37/18/629413718.db2.gz GKBLHWQEYXWULZ-OLKPEBQYSA-N 0 1 292.360 2.852 20 30 CFEDMN CN(CC(F)F)C1CCN(CC#Cc2ccccc2)CC1 ZINC000792254982 629414203 /nfs/dbraw/zinc/41/42/03/629414203.db2.gz LAFRNZOYSPNKBK-UHFFFAOYSA-N 0 1 292.373 2.699 20 30 CFEDMN N#Cc1cccc(COC(=O)c2ccc3cncn3c2)c1F ZINC000792566949 629434577 /nfs/dbraw/zinc/43/45/77/629434577.db2.gz ZQMPPXJPSBZOOE-UHFFFAOYSA-N 0 1 295.273 2.702 20 30 CFEDMN CC1(CNN=Cc2cc(O)ccc2[N+](=O)[O-])CCCC1 ZINC000793084348 629485625 /nfs/dbraw/zinc/48/56/25/629485625.db2.gz MMQMBNGKJDUWJW-UHFFFAOYSA-N 0 1 277.324 2.804 20 30 CFEDMN C=C[C@@H]1OCC[C@H]1C(=O)[C@H](C#N)c1nc2cccc(C)c2[nH]1 ZINC000835171037 629486158 /nfs/dbraw/zinc/48/61/58/629486158.db2.gz COOSGLSAPRZHOL-DYEKYZERSA-N 0 1 295.342 2.639 20 30 CFEDMN C[C@H](NN=Cc1cnc(N(C)C)s1)C(C)(C)C ZINC000793115957 629487141 /nfs/dbraw/zinc/48/71/41/629487141.db2.gz UWEYBUMSVYLROP-VIFPVBQESA-N 0 1 254.403 2.567 20 30 CFEDMN C[C@H](NN=Cc1cc(-c2cccnc2)[nH]n1)C(C)(C)C ZINC000793116807 629489516 /nfs/dbraw/zinc/48/95/16/629489516.db2.gz UUGBPVWUEZDSIU-NSHDSACASA-N 0 1 271.368 2.830 20 30 CFEDMN Cc1cccc2nc([C@H](C#N)C(=O)C=C[C@H]3CCOC3)[nH]c21 ZINC000835173213 629490079 /nfs/dbraw/zinc/49/00/79/629490079.db2.gz PAUOHDCGIPQDJR-AGFGORMFSA-N 0 1 295.342 2.640 20 30 CFEDMN COC(=O)c1ccc(C=NNc2cccc(Cl)n2)cc1 ZINC000793173990 629498723 /nfs/dbraw/zinc/49/87/23/629498723.db2.gz GQHLWPATGUZTRE-UHFFFAOYSA-N 0 1 289.722 2.968 20 30 CFEDMN C#CC[C@H](OC(=O)c1ccc2cncn2c1)C(C)(C)C ZINC000793208190 629504854 /nfs/dbraw/zinc/50/48/54/629504854.db2.gz HAENAFCGWNAYBF-AWEZNQCLSA-N 0 1 270.332 2.929 20 30 CFEDMN N#CC(C(=O)CC1OCCCO1)c1nccc2ccccc21 ZINC000793279869 629519062 /nfs/dbraw/zinc/51/90/62/629519062.db2.gz AVCNBDVBXDLKLD-CQSZACIVSA-N 0 1 296.326 2.564 20 30 CFEDMN C#CCOc1ccc(CN(CCO)Cc2ccc(C)o2)cc1 ZINC000793366957 629531805 /nfs/dbraw/zinc/53/18/05/629531805.db2.gz VZZFZRGZECYMKB-UHFFFAOYSA-N 0 1 299.370 2.595 20 30 CFEDMN C=CCCN(OCc1ccccc1)C(=O)CCc1cnc[nH]1 ZINC000793905354 629604096 /nfs/dbraw/zinc/60/40/96/629604096.db2.gz WHQIAKBVZQSWEX-UHFFFAOYSA-N 0 1 299.374 2.879 20 30 CFEDMN CSCCON=C(C)c1cc(F)cc(F)c1O ZINC000794572230 629662662 /nfs/dbraw/zinc/66/26/62/629662662.db2.gz MHMJGVNXATURNR-UHFFFAOYSA-N 0 1 261.293 2.774 20 30 CFEDMN CSCCON=C1CN(Cc2ccccc2)C[C@@H]1C ZINC000794574845 629663158 /nfs/dbraw/zinc/66/31/58/629663158.db2.gz SJVRXIPLJNLQAH-ZDUSSCGKSA-N 0 1 278.421 2.874 20 30 CFEDMN COC(=O)c1csc(C(C)=NNc2ccccn2)c1 ZINC000794869971 629698386 /nfs/dbraw/zinc/69/83/86/629698386.db2.gz HDDYLYZTSHYASF-UHFFFAOYSA-N 0 1 275.333 2.766 20 30 CFEDMN Cc1cnn(C)c1CN=Nc1ccc([N+](=O)[O-])cc1Cl ZINC000794902604 629702032 /nfs/dbraw/zinc/70/20/32/629702032.db2.gz QOVYFTXUYJTVOR-UHFFFAOYSA-N 0 1 293.714 2.736 20 30 CFEDMN COc1cccc2c1OCCC2=NNc1cccc(F)n1 ZINC000795007147 629722745 /nfs/dbraw/zinc/72/27/45/629722745.db2.gz RILUUHZWAMPQMX-UHFFFAOYSA-N 0 1 287.294 2.828 20 30 CFEDMN Fc1cccc(N=NC2CCN(Cc3ccccn3)CC2)n1 ZINC000795009616 629724484 /nfs/dbraw/zinc/72/44/84/629724484.db2.gz FIEJGGVWWRRMBD-UHFFFAOYSA-N 0 1 299.353 2.680 20 30 CFEDMN CN(CCCCC(C)(C)C#N)[C@H]1CC(C)(C)OC1=O ZINC000795661829 629819154 /nfs/dbraw/zinc/81/91/54/629819154.db2.gz PMFSRKUENYGQTE-LBPRGKRZSA-N 0 1 266.385 2.732 20 30 CFEDMN C=CCN1CCCC[C@@H]1COC(=O)N1CCC[C@@H](C)C1 ZINC000796571550 629936312 /nfs/dbraw/zinc/93/63/12/629936312.db2.gz MZCDNPTXSKGXNF-HUUCEWRRSA-N 0 1 280.412 2.895 20 30 CFEDMN N#CC(C(=O)[C@H]1Cc2ccc(F)cc21)c1ccccn1 ZINC000796634368 629943637 /nfs/dbraw/zinc/94/36/37/629943637.db2.gz VPILEQKHUYXMQJ-UONOGXRCSA-N 0 1 266.275 2.737 20 30 CFEDMN N#CC(C(=O)[C@@H](F)CC1CCCCC1)C(=O)N1CCCC1 ZINC000796634307 629943851 /nfs/dbraw/zinc/94/38/51/629943851.db2.gz YDBCWRLCQAASEP-KGLIPLIRSA-N 0 1 294.370 2.626 20 30 CFEDMN CC[C@H](C)[C@@H](OC)C(=O)C(C#N)c1cnc2ccccc2n1 ZINC000796900764 629986442 /nfs/dbraw/zinc/98/64/42/629986442.db2.gz QSTCZSMLPXCPHD-NVGCLXPQSA-N 0 1 297.358 2.867 20 30 CFEDMN CC(C)O[C@@H](C(=O)C(C#N)c1ccncn1)c1ccccc1 ZINC000797076471 630013752 /nfs/dbraw/zinc/01/37/52/630013752.db2.gz KDHKONXVZJBKKC-WMLDXEAASA-N 0 1 295.342 2.819 20 30 CFEDMN C=CCOCCOC(=O)c1[nH]c(-c2ccccc2)nc1C ZINC000797283296 630050654 /nfs/dbraw/zinc/05/06/54/630050654.db2.gz KTDGXKIBHDRVGZ-UHFFFAOYSA-N 0 1 286.331 2.745 20 30 CFEDMN N#C[C@H](C(=O)C(C1CCC1)C1CCC1)c1ccncn1 ZINC000797314127 630054743 /nfs/dbraw/zinc/05/47/43/630054743.db2.gz MNIKFSKHWUEUOW-ZDUSSCGKSA-N 0 1 269.348 2.869 20 30 CFEDMN CO[C@@H](C)C(=O)C(C#N)c1ncc(C(C)(C)C)s1 ZINC000797566442 630081995 /nfs/dbraw/zinc/08/19/95/630081995.db2.gz JYCKOBNITTWFET-IUCAKERBSA-N 0 1 266.366 2.652 20 30 CFEDMN CC(C)NC(=O)[C@H](C#N)C(=O)CC1CC(c2ccccc2)C1 ZINC000798816572 630241316 /nfs/dbraw/zinc/24/13/16/630241316.db2.gz MNYJGGRDRYOYJN-AVVWSFFYSA-N 0 1 298.386 2.804 20 30 CFEDMN CC(C)[C@H](C(=O)OCc1ccc(C#N)cc1Cl)N(C)C ZINC000798858765 630247303 /nfs/dbraw/zinc/24/73/03/630247303.db2.gz RQTCAZRINGMLJE-CQSZACIVSA-N 0 1 294.782 2.841 20 30 CFEDMN C#C[C@H](NC(=O)c1ccc(Nc2ccncc2)cc1)C(C)C ZINC000799048512 630270337 /nfs/dbraw/zinc/27/03/37/630270337.db2.gz MKQCTFWFLGLPSW-KRWDZBQOSA-N 0 1 293.370 2.635 20 30 CFEDMN Cn1c(Cl)cnc1CN=Nc1ccc(F)cc1F ZINC000799463643 630311200 /nfs/dbraw/zinc/31/12/00/630311200.db2.gz GFDLMVKGOPYGJA-UHFFFAOYSA-N 0 1 270.670 2.798 20 30 CFEDMN FC(F)(F)c1cc(C=Nn2cnc3ccccc32)[nH]n1 ZINC000799474652 630312130 /nfs/dbraw/zinc/31/21/30/630312130.db2.gz NIDFSOAMYLYXKA-UHFFFAOYSA-N 0 1 279.225 2.660 20 30 CFEDMN Cn1c(Cl)cnc1C=NNc1cccc(F)c1F ZINC000799481270 630313115 /nfs/dbraw/zinc/31/31/15/630313115.db2.gz PCMNTLPAVADSLQ-UHFFFAOYSA-N 0 1 270.670 2.798 20 30 CFEDMN COc1ccccc1CON=Cc1cc(C(F)(F)F)n[nH]1 ZINC000799487532 630314501 /nfs/dbraw/zinc/31/45/01/630314501.db2.gz SKGIFYSGVVSSBP-UHFFFAOYSA-N 0 1 299.252 2.988 20 30 CFEDMN Cn1cnc(CN=Nc2ccc(C#N)cc2C(F)(F)F)c1 ZINC000799491924 630315074 /nfs/dbraw/zinc/31/50/74/630315074.db2.gz LCMNWPUWEKCLDN-UHFFFAOYSA-N 0 1 293.252 2.757 20 30 CFEDMN N#Cc1ccc(N=NCc2c[nH]cn2)c(C(F)(F)F)c1 ZINC000799493227 630315144 /nfs/dbraw/zinc/31/51/44/630315144.db2.gz VJMPUCRRLAHLEK-UHFFFAOYSA-N 0 1 279.225 2.746 20 30 CFEDMN CCOCC1(C(=O)C(C#N)c2nc3ccccc3o2)CC1 ZINC000799603075 630323750 /nfs/dbraw/zinc/32/37/50/630323750.db2.gz JFSLENASIGYGJO-NSHDSACASA-N 0 1 284.315 2.821 20 30 CFEDMN CCOCC1(C(=O)C(C#N)c2nc3ccccc3o2)CC1 ZINC000799603074 630324026 /nfs/dbraw/zinc/32/40/26/630324026.db2.gz JFSLENASIGYGJO-LLVKDONJSA-N 0 1 284.315 2.821 20 30 CFEDMN CCCCCCCS(=O)(=O)Nc1cc(C)ncc1C ZINC000799641013 630327551 /nfs/dbraw/zinc/32/75/51/630327551.db2.gz VUSCMFDBLJAGQX-UHFFFAOYSA-N 0 1 284.425 2.832 20 30 CFEDMN N#CCC[C@H](C#N)CN[C@@H]1Cc2ccc(Cl)cc2C1 ZINC000799982711 630358309 /nfs/dbraw/zinc/35/83/09/630358309.db2.gz LFCCCVUFDVMQMS-IAQYHMDHSA-N 0 1 273.767 2.840 20 30 CFEDMN CCCC[C@H](C)C(=O)C(C#N)C(=O)NC1CCCCC1 ZINC000800385213 630375889 /nfs/dbraw/zinc/37/58/89/630375889.db2.gz USNMEEVIJFHONE-JSGCOSHPSA-N 0 1 278.396 2.970 20 30 CFEDMN Cc1cc(=O)[nH]c(N=NC2CCC[C@H]2CCCF)n1 ZINC000800804044 630405817 /nfs/dbraw/zinc/40/58/17/630405817.db2.gz QPXLJHCDXSXZBF-JTQLQIEISA-N 0 1 266.320 2.808 20 30 CFEDMN Cc1cc(C)nc(C(=O)Nc2cc(C#N)ccc2O)c1 ZINC000801177953 630431865 /nfs/dbraw/zinc/43/18/65/630431865.db2.gz BLLJQRXHTDIWTE-UHFFFAOYSA-N 0 1 267.288 2.528 20 30 CFEDMN C[C@H](C#N)OCCSc1nnc(CCC2CCCC2)[nH]1 ZINC000801656411 630464340 /nfs/dbraw/zinc/46/43/40/630464340.db2.gz FSXZFUDLEGLYCG-LLVKDONJSA-N 0 1 294.424 2.948 20 30 CFEDMN C[C@H](C#N)OCCSc1nc(CCC2CCCC2)n[nH]1 ZINC000801656411 630464342 /nfs/dbraw/zinc/46/43/42/630464342.db2.gz FSXZFUDLEGLYCG-LLVKDONJSA-N 0 1 294.424 2.948 20 30 CFEDMN C[C@H](c1cccc(C#N)c1)N1CCC(N2CCOC2=O)CC1 ZINC000852721173 634814566 /nfs/dbraw/zinc/81/45/66/634814566.db2.gz HHZZOBKGVIAFEH-CYBMUJFWSA-N 0 1 299.374 2.536 20 30 CFEDMN C[C@H](C#N)OCCN1CC=C(c2ccc(F)cc2)CC1 ZINC000801910696 630485411 /nfs/dbraw/zinc/48/54/11/630485411.db2.gz PTCYDPRYPRFQPH-CYBMUJFWSA-N 0 1 274.339 2.843 20 30 CFEDMN Cc1csc(C2(NCCO[C@@H](C)C#N)CCCC2)n1 ZINC000801933720 630491037 /nfs/dbraw/zinc/49/10/37/630491037.db2.gz CIVLRNDVRIFIQY-LBPRGKRZSA-N 0 1 279.409 2.739 20 30 CFEDMN C[C@H](C#N)OCCN[C@H](C)c1cccc(F)c1F ZINC000801938504 630492166 /nfs/dbraw/zinc/49/21/66/630492166.db2.gz FQDWNRCGLSTYKP-NXEZZACHSA-N 0 1 254.280 2.544 20 30 CFEDMN CCCc1nc(C(=O)[C@@H](C#N)C(=O)Nc2ccccc2)co1 ZINC000802042288 630499549 /nfs/dbraw/zinc/49/95/49/630499549.db2.gz COIBWHXQKRFUGU-GFCCVEGCSA-N 0 1 297.314 2.588 20 30 CFEDMN CCCc1nc(C(=O)C(C#N)C(=O)Nc2ccccc2)co1 ZINC000802042288 630499552 /nfs/dbraw/zinc/49/95/52/630499552.db2.gz COIBWHXQKRFUGU-GFCCVEGCSA-N 0 1 297.314 2.588 20 30 CFEDMN C=CCN1CCN(CN2CCC[C@@H]2Cc2ccccc2)C1=O ZINC000839954948 630507819 /nfs/dbraw/zinc/50/78/19/630507819.db2.gz JMHAGQHLKFAWMU-QGZVFWFLSA-N 0 1 299.418 2.575 20 30 CFEDMN C#CCCN(CCOC)Cc1cc(C)nc(Cl)c1 ZINC000852750145 634823602 /nfs/dbraw/zinc/82/36/02/634823602.db2.gz MNNWZBVZPOGSCV-UHFFFAOYSA-N 0 1 266.772 2.515 20 30 CFEDMN C=CCCCCCN(C)CN1C[C@@H](C)[C@H](C)C1=O ZINC000840005850 630628754 /nfs/dbraw/zinc/62/87/54/630628754.db2.gz FIDKSECXQLVRIK-KGLIPLIRSA-N 0 1 252.402 2.737 20 30 CFEDMN C#CCCN(CCOC)Cc1ccc(C(F)(F)F)cn1 ZINC000852749218 634823341 /nfs/dbraw/zinc/82/33/41/634823341.db2.gz STOQFEHPWVIDRI-UHFFFAOYSA-N 0 1 286.297 2.572 20 30 CFEDMN C[C@@]1(C#N)CC[C@H](OC(=O)c2ccc([N+](=O)[O-])[nH]2)CC1 ZINC000836158816 630756198 /nfs/dbraw/zinc/75/61/98/630756198.db2.gz YFWFUJXUUAKGSN-SWZMTVOYSA-N 0 1 277.280 2.552 20 30 CFEDMN C=CCCCCCCN[C@H](C(N)=O)c1ccc(C#N)cc1 ZINC000806620360 630823918 /nfs/dbraw/zinc/82/39/18/630823918.db2.gz UJFMIVLKEMFAMI-INIZCTEOSA-N 0 1 285.391 2.811 20 30 CFEDMN Cc1ncc(CNCc2ccc(OCC#N)cc2)s1 ZINC000040997672 649987974 /nfs/dbraw/zinc/98/79/74/649987974.db2.gz BDZDLRMAKUYPLQ-UHFFFAOYSA-N 0 1 273.361 2.644 20 30 CFEDMN CC(N=Nc1ccc(F)cn1)c1cnnn1-c1ccccc1 ZINC000807972789 630928027 /nfs/dbraw/zinc/92/80/27/630928027.db2.gz PHXVRVRPLZLJDA-UHFFFAOYSA-N 0 1 296.309 2.638 20 30 CFEDMN CC(N=Nc1ccnc(F)c1)c1cccc(-n2ccnn2)c1 ZINC000807982765 630930775 /nfs/dbraw/zinc/93/07/75/630930775.db2.gz MPAACBXBTIRRHU-UHFFFAOYSA-N 0 1 296.309 2.638 20 30 CFEDMN CC(=NNc1cccc(F)n1)c1cnnn1-c1ccccc1 ZINC000807988643 630932382 /nfs/dbraw/zinc/93/23/82/630932382.db2.gz WQFCACSLSMTBBP-UHFFFAOYSA-N 0 1 296.309 2.638 20 30 CFEDMN Cc1ncc(C=NNc2nccnc2C2CCC2)s1 ZINC000807991529 630932778 /nfs/dbraw/zinc/93/27/78/630932778.db2.gz NMOJNODAEJMZGR-UHFFFAOYSA-N 0 1 273.365 2.955 20 30 CFEDMN CC(=[NH+][N-]c1ncn[nH]1)c1cc(Cl)c(N)c(Cl)c1 ZINC000807999195 630935625 /nfs/dbraw/zinc/93/56/25/630935625.db2.gz ZSXRPBIDTSYSGY-UHFFFAOYSA-N 0 1 285.138 2.530 20 30 CFEDMN C(=NN[C@@H]1CCSC1)c1cc(-c2ccccc2)[nH]n1 ZINC000808004175 630939501 /nfs/dbraw/zinc/93/95/01/630939501.db2.gz HUEIBZAATGHVRS-GFCCVEGCSA-N 0 1 272.377 2.506 20 30 CFEDMN C=CCONC(=O)Cc1cc(C(F)(F)F)cc(Cl)n1 ZINC000837047600 630945599 /nfs/dbraw/zinc/94/55/99/630945599.db2.gz CEESFOLXGKWZAR-UHFFFAOYSA-N 0 1 294.660 2.530 20 30 CFEDMN CCCCCCCC(=O)Nc1c(C(C)C)n[nH]c1C(N)=O ZINC000837188533 630971817 /nfs/dbraw/zinc/97/18/17/630971817.db2.gz KEKMGOGEXYVPCM-UHFFFAOYSA-N 0 1 294.399 2.931 20 30 CFEDMN CC(C)(C)C#CC(=O)N1CCCN(Cc2ccccc2)CC1 ZINC000837321825 630997191 /nfs/dbraw/zinc/99/71/91/630997191.db2.gz OYXHXPFECQLCMP-UHFFFAOYSA-N 0 1 298.430 2.770 20 30 CFEDMN CN(C)[C@@H](CNC(=O)C#CC(C)(C)C)c1ccc(F)cc1 ZINC000837352075 631009969 /nfs/dbraw/zinc/00/99/69/631009969.db2.gz HYTLLPJIFBIVSN-HNNXBMFYSA-N 0 1 290.382 2.594 20 30 CFEDMN C[C@@H](CC(F)(F)F)C(=O)Nc1cc(C#N)ccc1O ZINC000837495635 631047712 /nfs/dbraw/zinc/04/77/12/631047712.db2.gz CSXLMYMLJXCKQH-ZETCQYMHSA-N 0 1 272.226 2.791 20 30 CFEDMN CCCON=Cc1cccc(Br)c1O ZINC000842558078 631052667 /nfs/dbraw/zinc/05/26/67/631052667.db2.gz UMOQHLMSKFNCAS-UHFFFAOYSA-N 0 1 258.115 2.915 20 30 CFEDMN CC1(CC(=O)C(C#N)C(=O)NCc2ccccc2)CCCC1 ZINC000808979884 631061942 /nfs/dbraw/zinc/06/19/42/631061942.db2.gz OHSFPNXBFHPVBR-OAHLLOKOSA-N 0 1 298.386 2.982 20 30 CFEDMN C#C[C@H](NCc1cc(C(=O)OC)ccc1Cl)C(C)C ZINC000809685279 631261597 /nfs/dbraw/zinc/26/15/97/631261597.db2.gz LHWHKGIKYQUSHX-AWEZNQCLSA-N 0 1 279.767 2.874 20 30 CFEDMN C#C[C@@H](C)NCc1ccc(-c2ccc(C(=O)OC)cc2)o1 ZINC000809683684 631262025 /nfs/dbraw/zinc/26/20/25/631262025.db2.gz KKFWNQZUDVFOMX-GFCCVEGCSA-N 0 1 283.327 2.845 20 30 CFEDMN C#Cc1ccc(CN(CC)CC(=O)N2CCCCCC2)cc1 ZINC000809713312 631269616 /nfs/dbraw/zinc/26/96/16/631269616.db2.gz HCKLSKWAKQEVLC-UHFFFAOYSA-N 0 1 298.430 2.892 20 30 CFEDMN Cc1ccc([C@@H](O)[C@@H](C)NCc2nc(C#N)cs2)cc1 ZINC000810157906 631336927 /nfs/dbraw/zinc/33/69/27/631336927.db2.gz KICAHUMVOHQVNT-ABAIWWIYSA-N 0 1 287.388 2.535 20 30 CFEDMN COc1cc(CNCc2ccc(F)nc2C)ccc1C#N ZINC000810169675 631337822 /nfs/dbraw/zinc/33/78/22/631337822.db2.gz WBLYXXCQIDDVOM-UHFFFAOYSA-N 0 1 285.322 2.699 20 30 CFEDMN CC(=NNC1=NCCN1)c1ccccc1SC(C)(C)C ZINC000841662351 631447234 /nfs/dbraw/zinc/44/72/34/631447234.db2.gz WIVNWTIRFKQJKH-UHFFFAOYSA-N 0 1 290.436 2.850 20 30 CFEDMN C#CC[C@@H](NC(=O)N1CCNC[C@@H]1CCC)c1ccccc1 ZINC000841865610 631483581 /nfs/dbraw/zinc/48/35/81/631483581.db2.gz UQERRENCVZQFTE-DLBZAZTESA-N 0 1 299.418 2.535 20 30 CFEDMN CC(C)(C)N1CC[C@](F)(C(=O)OCCC(C)(C)C#N)C1 ZINC000811445191 631564484 /nfs/dbraw/zinc/56/44/84/631564484.db2.gz PAJULHYCCOUSRX-OAHLLOKOSA-N 0 1 284.375 2.682 20 30 CFEDMN CC[C@H](CC1CCCC1)C(=O)C(C#N)C(=O)NC(C)C ZINC000842288632 631580000 /nfs/dbraw/zinc/58/00/00/631580000.db2.gz KLDATUJELXTUGR-ZIAGYGMSSA-N 0 1 278.396 2.826 20 30 CFEDMN C[C@@H]1C(=NOCC(F)F)CCN1Cc1ccccc1 ZINC000811647380 631591538 /nfs/dbraw/zinc/59/15/38/631591538.db2.gz JRGKEHTZGHLVFX-LLVKDONJSA-N 0 1 268.307 2.919 20 30 CFEDMN CCOCCON=C1CCN(Cc2ccccc2)[C@H]1C ZINC000811648070 631592282 /nfs/dbraw/zinc/59/22/82/631592282.db2.gz DMUFNWXDQWRUMV-AWEZNQCLSA-N 0 1 276.380 2.690 20 30 CFEDMN Oc1cc(CN=Nc2cncnc2)cc(C(F)(F)F)c1 ZINC000811648743 631592293 /nfs/dbraw/zinc/59/22/93/631592293.db2.gz XXYSHQOVDHUDFN-UHFFFAOYSA-N 0 1 282.225 2.647 20 30 CFEDMN C#CC[C@H]1CCCN(Cn2cnc(-c3ccccc3)n2)C1 ZINC000842629774 631685231 /nfs/dbraw/zinc/68/52/31/631685231.db2.gz RJPDVPORTMGDRV-HNNXBMFYSA-N 0 1 280.375 2.638 20 30 CFEDMN C#CC1CCN(Cn2ccc(-c3ccsc3)n2)CC1 ZINC000842634567 631688828 /nfs/dbraw/zinc/68/88/28/631688828.db2.gz XZQUYGKVZABOHI-UHFFFAOYSA-N 0 1 271.389 2.914 20 30 CFEDMN COc1c(O)cccc1C=NNc1nc2ccccc2[nH]1 ZINC000812382755 631698945 /nfs/dbraw/zinc/69/89/45/631698945.db2.gz RVIFQJUERBTEMB-UHFFFAOYSA-N 0 1 282.303 2.723 20 30 CFEDMN N#CC(C(=O)NC1CCCCC1)C(=O)C1CC2(CCC2)C1 ZINC000842686791 631706975 /nfs/dbraw/zinc/70/69/75/631706975.db2.gz RCFCFTGKBOFUEE-CQSZACIVSA-N 0 1 288.391 2.724 20 30 CFEDMN CC(C)(C)C[C@@H]1C[C@H]1C(=O)C(C#N)C(=O)NC1CCCC1 ZINC000842689443 631708457 /nfs/dbraw/zinc/70/84/57/631708457.db2.gz FZEDZNHMHKHOJI-YUTCNCBUSA-N 0 1 290.407 2.826 20 30 CFEDMN COCC1(CC(=O)[C@H](C#N)c2nc3cccc(C)c3[nH]2)CC1 ZINC000842721711 631717006 /nfs/dbraw/zinc/71/70/06/631717006.db2.gz IZPRKSCCSWYIOT-LBPRGKRZSA-N 0 1 297.358 2.864 20 30 CFEDMN C#C[C@H](N[C@H]1CCCc2ccc(O)cc21)[C@H]1CCCO1 ZINC000812731711 631764200 /nfs/dbraw/zinc/76/42/00/631764200.db2.gz RCNJQJMZEDLFRP-YESZJQIVSA-N 0 1 271.360 2.540 20 30 CFEDMN C#Cc1ccc(CNCc2c3c(nn2C)CCCC3)cc1 ZINC000812773535 631770755 /nfs/dbraw/zinc/77/07/55/631770755.db2.gz FSZLPONKDKNXKZ-UHFFFAOYSA-N 0 1 279.387 2.570 20 30 CFEDMN CC(C)C[C@@](C)(C#N)NC(=O)[C@@]1(F)CCN(C(C)(C)C)C1 ZINC000813061493 631822273 /nfs/dbraw/zinc/82/22/73/631822273.db2.gz JAJVQJMCXUVQFW-JKSUJKDBSA-N 0 1 297.418 2.643 20 30 CFEDMN Cc1cc(C(C#N)C(=O)CCCC2CC2)nc(C)n1 ZINC000813059719 631822376 /nfs/dbraw/zinc/82/23/76/631822376.db2.gz GSLZRPNAGMMZGY-ZDUSSCGKSA-N 0 1 257.337 2.850 20 30 CFEDMN CN(C)Cc1ccc(NC(=O)CCCC#N)cc1F ZINC000813472932 631924455 /nfs/dbraw/zinc/92/44/55/631924455.db2.gz WZYFKXJASBJFHK-UHFFFAOYSA-N 0 1 263.316 2.520 20 30 CFEDMN CCc1cc(CNc2c(C#N)cnc3ccc(C)cc32)n[nH]1 ZINC000813595168 631938044 /nfs/dbraw/zinc/93/80/44/631938044.db2.gz YJPYOOFUJRZUMC-UHFFFAOYSA-N 0 1 291.358 2.734 20 30 CFEDMN C[C@H]1C[C@@H](NCC2(C#N)CC2)CN(C(=O)OC(C)(C)C)C1 ZINC000843405790 631946651 /nfs/dbraw/zinc/94/66/51/631946651.db2.gz AVEFECTWDKNQJH-QWHCGFSZSA-N 0 1 293.411 2.525 20 30 CFEDMN C#Cc1ccc(CN2C[C@H](C)OC3(CCC3)C2)cc1 ZINC000843431936 631957562 /nfs/dbraw/zinc/95/75/62/631957562.db2.gz FCSJVBPFODLLOG-AWEZNQCLSA-N 0 1 255.361 2.811 20 30 CFEDMN CCC[C@H](CC1CCCCC1)C(=O)N[C@@H]1CNC[C@@H]1C#N ZINC000843460105 631963487 /nfs/dbraw/zinc/96/34/87/631963487.db2.gz MEOMHTQTGAJRBI-OWCLPIDISA-N 0 1 291.439 2.601 20 30 CFEDMN Cn1nccc1-c1ccccc1C=NNc1ccccn1 ZINC000814215932 632039734 /nfs/dbraw/zinc/03/97/34/632039734.db2.gz WDBAXCFHOHHFBQ-UHFFFAOYSA-N 0 1 277.331 2.928 20 30 CFEDMN C=C(C)C[C@H](C)C(=O)OCc1nnc(C(C)(C)C)[nH]1 ZINC000814465098 632070616 /nfs/dbraw/zinc/07/06/16/632070616.db2.gz DHXLXLTZJNUOKT-JTQLQIEISA-N 0 1 265.357 2.748 20 30 CFEDMN C=C(C)C[C@H](C)C(=O)OCc1n[nH]c(C(C)(C)C)n1 ZINC000814465098 632070622 /nfs/dbraw/zinc/07/06/22/632070622.db2.gz DHXLXLTZJNUOKT-JTQLQIEISA-N 0 1 265.357 2.748 20 30 CFEDMN C#CC[C@H]1CCCN(C(=O)c2cc(-c3ccoc3)[nH]n2)C1 ZINC000844002659 632092879 /nfs/dbraw/zinc/09/28/79/632092879.db2.gz ZHHQUFPCOLZQAI-LBPRGKRZSA-N 0 1 283.331 2.545 20 30 CFEDMN CC(N=Nc1ccc([N+](=O)[O-])cc1)c1cccc(CO)c1 ZINC000814683866 632107670 /nfs/dbraw/zinc/10/76/70/632107670.db2.gz SWAAIRRLVNVWNI-UHFFFAOYSA-N 0 1 285.303 2.923 20 30 CFEDMN CC(Cc1ccc(F)cc1Br)=Nn1cnnc1 ZINC000814683030 632107754 /nfs/dbraw/zinc/10/77/54/632107754.db2.gz RBWGTLJQNVNMJZ-UHFFFAOYSA-N 0 1 297.131 2.646 20 30 CFEDMN CC(=NNCCCc1ccccc1)c1ccc(N)nc1 ZINC000814837942 632135009 /nfs/dbraw/zinc/13/50/09/632135009.db2.gz RQFFRVICPNYEOL-UHFFFAOYSA-N 0 1 268.364 2.610 20 30 CFEDMN COc1ccc(N=NCc2nc3c(s2)CCCC3)nc1 ZINC000814909117 632159845 /nfs/dbraw/zinc/15/98/45/632159845.db2.gz IBEANSOJBZGCAB-UHFFFAOYSA-N 0 1 288.376 2.872 20 30 CFEDMN C[C@H]1CN(C2CC2)CC1N=Nc1ccc(F)c(F)c1F ZINC000814945741 632177087 /nfs/dbraw/zinc/17/70/87/632177087.db2.gz NWZNNHVXCKRNFY-QMMMGPOBSA-N 0 1 283.297 2.986 20 30 CFEDMN Cn1nncc1NN=Cc1ccc(C2CCC2)cc1 ZINC000814982734 632185477 /nfs/dbraw/zinc/18/54/77/632185477.db2.gz MWCLLUAWOYIWEJ-UHFFFAOYSA-N 0 1 255.325 2.529 20 30 CFEDMN CC[C@@H]1CO[C@@H](CC)CN1Cc1ccc(OCC#N)cc1 ZINC000844386191 632189141 /nfs/dbraw/zinc/18/91/41/632189141.db2.gz HHUBUEDZSNPDCW-CVEARBPZSA-N 0 1 288.391 2.978 20 30 CFEDMN C=CCOCCN1CCN(c2ccc(C)c(C)c2)CC1 ZINC000815077016 632197261 /nfs/dbraw/zinc/19/72/61/632197261.db2.gz RXYSCWQPKKEKRT-UHFFFAOYSA-N 0 1 274.408 2.628 20 30 CFEDMN CCCCCCCCN1CCc2c(nnn2CCOC)C1 ZINC000815130288 632211169 /nfs/dbraw/zinc/21/11/69/632211169.db2.gz ZLUMJZLAOWEDJK-UHFFFAOYSA-N 0 1 294.443 2.643 20 30 CFEDMN CN1CCC(C#N)(NC(=O)/C=C/C2CCCCCC2)CC1 ZINC000844454066 632218110 /nfs/dbraw/zinc/21/81/10/632218110.db2.gz MMTQCBWGDKFURB-CMDGGOBGSA-N 0 1 289.423 2.617 20 30 CFEDMN O=C(/C=C/c1ccc(-n2cncn2)cc1)c1ccccc1O ZINC000156602231 650057899 /nfs/dbraw/zinc/05/78/99/650057899.db2.gz QROUIKADSDHBGC-JXMROGBWSA-N 0 1 291.310 2.869 20 30 CFEDMN Cc1ccc(C=NNC2=N[C@H]3CCCC[C@@H]3N2)c(Cl)c1 ZINC000844590435 632256519 /nfs/dbraw/zinc/25/65/19/632256519.db2.gz WCBHZYQQHVREIK-KBPBESRZSA-N 0 1 290.798 2.842 20 30 CFEDMN C=CCCOC(=O)[C@@H]1CCCCN1C1CCCC1 ZINC000815443892 632275171 /nfs/dbraw/zinc/27/51/71/632275171.db2.gz MKNYXESBSMYADN-AWEZNQCLSA-N 0 1 251.370 2.903 20 30 CFEDMN CN(C)Cc1ccc(NC(=O)CC2(C#N)CC2)cc1F ZINC000815752967 632318361 /nfs/dbraw/zinc/31/83/61/632318361.db2.gz LZDDDVRWQVCOHZ-UHFFFAOYSA-N 0 1 275.327 2.520 20 30 CFEDMN CC(C)(CC(=O)[C@@H](C#N)C(=O)NC1CCCC1)C1CC1 ZINC000815913519 632332063 /nfs/dbraw/zinc/33/20/63/632332063.db2.gz UIVFTHCRHJFXRG-CYBMUJFWSA-N 0 1 276.380 2.580 20 30 CFEDMN CCc1ccc(NC(=O)C(C#N)C(=O)c2ncoc2C)cc1 ZINC000105757401 632363206 /nfs/dbraw/zinc/36/32/06/632363206.db2.gz FBEHNJQOFOJYGS-ZDUSSCGKSA-N 0 1 297.314 2.507 20 30 CFEDMN C#CC[N@H+](Cc1cc(Cl)c(F)cc1[O-])C1CC1 ZINC000816570465 632487934 /nfs/dbraw/zinc/48/79/34/632487934.db2.gz VCZUEMMDFRLWLD-UHFFFAOYSA-N 0 1 253.704 2.782 20 30 CFEDMN COC[C@@H](C)CC(=O)C(C#N)=C(O)C1(c2ccccc2)CC1 ZINC000845841049 632578164 /nfs/dbraw/zinc/57/81/64/632578164.db2.gz JKDZZEXUULQJOG-DZGCQCFKSA-N 0 1 299.370 2.669 20 30 CFEDMN CC(=NNCCN1CCCCC1)c1ccncc1Cl ZINC000817322824 632601863 /nfs/dbraw/zinc/60/18/63/632601863.db2.gz BASJZJIZIDPGSF-UHFFFAOYSA-N 0 1 280.803 2.535 20 30 CFEDMN Cc1c(Cl)c(C=NNc2ncccc2C)nn1C ZINC000817327631 632603511 /nfs/dbraw/zinc/60/35/11/632603511.db2.gz NEKJKCKAQWWQID-UHFFFAOYSA-N 0 1 263.732 2.531 20 30 CFEDMN N#Cc1ccc(CNCc2cccc3c2CCC3)nc1 ZINC000845958784 632605262 /nfs/dbraw/zinc/60/52/62/632605262.db2.gz FTBGSWXRUCUBEX-UHFFFAOYSA-N 0 1 263.344 2.732 20 30 CFEDMN C#C[C@H](CC)NCc1cn(-c2cccc(C)c2)nc1C ZINC000845969417 632606248 /nfs/dbraw/zinc/60/62/48/632606248.db2.gz AQKPHCCYEHUNTA-MRXNPFEDSA-N 0 1 267.376 2.991 20 30 CFEDMN C#C[C@H](C)NCc1cn(-c2cccc(C)c2)nc1C ZINC000845973229 632606874 /nfs/dbraw/zinc/60/68/74/632606874.db2.gz VUSUGQAVRGEESI-ZDUSSCGKSA-N 0 1 253.349 2.600 20 30 CFEDMN Oc1cc(Cl)c(C=NN[C@@H]2CCC[C@H]2O)cc1Cl ZINC000817337948 632608451 /nfs/dbraw/zinc/60/84/51/632608451.db2.gz QWMHFINPTYYLSA-GHMZBOCLSA-N 0 1 289.162 2.536 20 30 CFEDMN C#CC1CCN(Cc2cc(F)c(OC)cc2OC)CC1 ZINC000845991417 632609018 /nfs/dbraw/zinc/60/90/18/632609018.db2.gz XZXCUYZXLXJNEO-UHFFFAOYSA-N 0 1 277.339 2.688 20 30 CFEDMN CN(Cc1ccc(C#N)s1)C[C@@H](O)c1cccc(C#N)c1 ZINC000846006920 632612064 /nfs/dbraw/zinc/61/20/64/632612064.db2.gz LJCWGCFTUGWBDW-MRXNPFEDSA-N 0 1 297.383 2.657 20 30 CFEDMN C=CCCCN(C)CN1CCC(CC)(CC)C1=O ZINC000817360640 632612472 /nfs/dbraw/zinc/61/24/72/632612472.db2.gz STSOHZSFTPDNMX-UHFFFAOYSA-N 0 1 252.402 2.881 20 30 CFEDMN N#CC1(CN[C@H]2CCN(c3ccccc3)C2)CCCC1 ZINC000846011653 632613309 /nfs/dbraw/zinc/61/33/09/632613309.db2.gz XHTJDDLRYOEQDM-HNNXBMFYSA-N 0 1 269.392 2.939 20 30 CFEDMN C#C[C@@H](NCc1cccc(C2CC2)c1)[C@@H]1CCCO1 ZINC000817410875 632623260 /nfs/dbraw/zinc/62/32/60/632623260.db2.gz UOOWQTBQNMIHNL-SJORKVTESA-N 0 1 255.361 2.834 20 30 CFEDMN N#Cc1ccc(O)c(NC(=O)[C@@H]2CC[C@H]3C[C@H]3C2)c1 ZINC000817555711 632661202 /nfs/dbraw/zinc/66/12/02/632661202.db2.gz OIPFPAIJCUHYIK-TUAOUCFPSA-N 0 1 256.305 2.639 20 30 CFEDMN C=C[C@H](C)O[N-]C(=O)[C@H]1CCCC[N@H+]1Cc1ccccc1 ZINC000846547470 632734960 /nfs/dbraw/zinc/73/49/60/632734960.db2.gz OOCNKPIEASHOMM-GOEBONIOSA-N 0 1 288.391 2.663 20 30 CFEDMN C=C[C@@H](C)ONC(=O)[C@@H](C)c1c(F)cccc1F ZINC000846546942 632735304 /nfs/dbraw/zinc/73/53/04/632735304.db2.gz HEBUHFIFDRQALN-BDAKNGLRSA-N 0 1 255.264 2.691 20 30 CFEDMN C=C[C@@H](C)O[N-]C(=O)C[N@@H+](CC)Cc1ccccc1Cl ZINC000846552886 632740935 /nfs/dbraw/zinc/74/09/35/632740935.db2.gz SDAMXZDWAJLMJV-GFCCVEGCSA-N 0 1 296.798 2.784 20 30 CFEDMN C=C[C@@H](C)O[N-]C(=O)C[N@H+](CC)Cc1ccccc1Cl ZINC000846552886 632740940 /nfs/dbraw/zinc/74/09/40/632740940.db2.gz SDAMXZDWAJLMJV-GFCCVEGCSA-N 0 1 296.798 2.784 20 30 CFEDMN C#C[C@@H]1CCCN(C[C@@H](O)c2cccc(Cl)c2)C1 ZINC000847023911 632888656 /nfs/dbraw/zinc/88/86/56/632888656.db2.gz GJRPKKVATJWSLY-IUODEOHRSA-N 0 1 263.768 2.719 20 30 CFEDMN C#C[C@H]1CCCN(CC(=O)NC2(c3ccccc3)CCC2)C1 ZINC000847023734 632889370 /nfs/dbraw/zinc/88/93/70/632889370.db2.gz FIQNZDSMWLOLAS-INIZCTEOSA-N 0 1 296.414 2.527 20 30 CFEDMN C=C(Br)CNC[C@@H](O)c1cccc(Cl)c1 ZINC000818978908 632912315 /nfs/dbraw/zinc/91/23/15/632912315.db2.gz CICUUSKXHIUACP-LLVKDONJSA-N 0 1 290.588 2.872 20 30 CFEDMN CN1CCCc2cc(CNC[C@@H](C#N)CCC#N)ccc21 ZINC000818984504 632922793 /nfs/dbraw/zinc/92/27/93/632922793.db2.gz ADGDCMQQDQVUOQ-OAHLLOKOSA-N 0 1 282.391 2.602 20 30 CFEDMN Cc1ccc(N(CCC#N)C(=O)[C@H](C)Cc2cnc[nH]2)cc1 ZINC000847401524 632983145 /nfs/dbraw/zinc/98/31/45/632983145.db2.gz KRPJRLKRSFOCPV-CQSZACIVSA-N 0 1 296.374 2.844 20 30 CFEDMN CN(C)Cc1ccc(NC(=O)CCCCC#N)cc1F ZINC000847547229 632999632 /nfs/dbraw/zinc/99/96/32/632999632.db2.gz SNYPBTSWDWUFBZ-UHFFFAOYSA-N 0 1 277.343 2.910 20 30 CFEDMN CC(C)(C#N)CNC[C@@H](O)c1cccc(C(F)(F)F)c1 ZINC000819218460 633024202 /nfs/dbraw/zinc/02/42/02/633024202.db2.gz HMIDSUOGBYUIRJ-GFCCVEGCSA-N 0 1 286.297 2.878 20 30 CFEDMN N#CC1(CNC[C@@H](O)c2cccc(Cl)c2)CCC1 ZINC000819377878 633140349 /nfs/dbraw/zinc/14/03/49/633140349.db2.gz ROLYPPYHCOVWKF-CYBMUJFWSA-N 0 1 264.756 2.657 20 30 CFEDMN N#CCOc1ccccc1C(=O)OCc1cc(C2CC2)[nH]n1 ZINC000848014715 633188074 /nfs/dbraw/zinc/18/80/74/633188074.db2.gz GSIPLFQLYLAHPA-UHFFFAOYSA-N 0 1 297.314 2.546 20 30 CFEDMN C=C[C@H](C)ONC(=O)[C@@H]1CCCc2ccc(OC)cc21 ZINC000848245250 633222870 /nfs/dbraw/zinc/22/28/70/633222870.db2.gz JTHOGARNWDWGHL-SMDDNHRTSA-N 0 1 275.348 2.737 20 30 CFEDMN O=C([O-])c1ccccc1N=NC1CCC[N@H+]2CCCC[C@H]12 ZINC000848401657 633249349 /nfs/dbraw/zinc/24/93/49/633249349.db2.gz FDEKBTSTWAGXSK-OAHLLOKOSA-N 0 1 287.363 2.801 20 30 CFEDMN Cc1cc2c(c(C)c1)C(=NNC1=N[C@@H]3CCCC[C@@H]3N1)CC2 ZINC000848407474 633250184 /nfs/dbraw/zinc/25/01/84/633250184.db2.gz PZGPAFJVYFJJPJ-GASCZTMLSA-N 0 1 296.418 2.814 20 30 CFEDMN C#C[C@@H]1CCCN(Cn2nc(C)c3cc([N+](=O)[O-])ccc32)C1 ZINC000848493536 633266220 /nfs/dbraw/zinc/26/62/20/633266220.db2.gz NYANDBWVCHKLCE-CYBMUJFWSA-N 0 1 298.346 2.556 20 30 CFEDMN C=CCC[C@@H](NC[C@@H]1CN(C2CC2)C(=O)O1)c1ccco1 ZINC000848569114 633292014 /nfs/dbraw/zinc/29/20/14/633292014.db2.gz CBYXNGOUNZGJTG-ZIAGYGMSSA-N 0 1 290.363 2.860 20 30 CFEDMN C=C1CCN(Cc2ccc(/C=C/C(=O)OC)o2)CC1 ZINC000848885651 633360030 /nfs/dbraw/zinc/36/00/30/633360030.db2.gz LRNSYADCYOYLJK-AATRIKPKSA-N 0 1 261.321 2.618 20 30 CFEDMN C=C1CCN(Cc2ccc(/C=C\C(=O)OC)o2)CC1 ZINC000848885653 633360474 /nfs/dbraw/zinc/36/04/74/633360474.db2.gz LRNSYADCYOYLJK-WAYWQWQTSA-N 0 1 261.321 2.618 20 30 CFEDMN COc1ccc(C(=O)/C=C\c2ccnn2CC2CC2)c(O)c1 ZINC000849246357 633589688 /nfs/dbraw/zinc/58/96/88/633589688.db2.gz HOJDSULQVVHMNU-DAXSKMNVSA-N 0 1 298.342 2.903 20 30 CFEDMN C#CC[C@@H]1CCC[N@H+](Cc2cc(C(=O)[O-])oc2CC)C1 ZINC000849344155 633623038 /nfs/dbraw/zinc/62/30/38/633623038.db2.gz CMHSMRBWMUBXEM-GFCCVEGCSA-N 0 1 275.348 2.776 20 30 CFEDMN C#CC[C@@H]1CCC[N@H+]([C@H](C)c2ccc(C(=O)[O-])o2)C1 ZINC000849344657 633623201 /nfs/dbraw/zinc/62/32/01/633623201.db2.gz QPMTYXFNSKFXHV-VXGBXAGGSA-N 0 1 261.321 2.774 20 30 CFEDMN N#CCC1(COC(=O)c2ccc(O)c(Cl)c2)CC1 ZINC000849626592 633644651 /nfs/dbraw/zinc/64/46/51/633644651.db2.gz CPODHGMANSUVQI-UHFFFAOYSA-N 0 1 265.696 2.896 20 30 CFEDMN COc1cncc(CN[C@H]2CCc3cc(C#N)ccc32)c1 ZINC000850280812 633923643 /nfs/dbraw/zinc/92/36/43/633923643.db2.gz JKSSRXFLONIWSM-KRWDZBQOSA-N 0 1 279.343 2.739 20 30 CFEDMN COc1cccc(CNCC2(C#N)CCCCC2)c1O ZINC000850390498 633973362 /nfs/dbraw/zinc/97/33/62/633973362.db2.gz INQCUHPATQUGIM-UHFFFAOYSA-N 0 1 274.364 2.964 20 30 CFEDMN COc1ccc(CN[C@H](c2ccccc2)[C@@H](C)O)cc1C#N ZINC000850420352 633984998 /nfs/dbraw/zinc/98/49/98/633984998.db2.gz NBZVCCNQIIGQSW-ACJLOTCBSA-N 0 1 296.370 2.779 20 30 CFEDMN C#Cc1ccc(CNC[C@H](n2cccn2)C(F)(F)F)cc1 ZINC000858208560 636156590 /nfs/dbraw/zinc/15/65/90/636156590.db2.gz IGCDYFADMTVBHV-AWEZNQCLSA-N 0 1 293.292 2.758 20 30 CFEDMN Cc1cc(C(C#N)C(=O)[C@H]2CCC2(C)C)nc(C)n1 ZINC000850755791 634080439 /nfs/dbraw/zinc/08/04/39/634080439.db2.gz LFECCGYMMGESLA-VXGBXAGGSA-N 0 1 257.337 2.706 20 30 CFEDMN Cc1cccc(NC(=O)C(C#N)C(=O)[C@H]2C[C@H]3C[C@H]3C2)c1 ZINC000850757990 634081411 /nfs/dbraw/zinc/08/14/11/634081411.db2.gz WCYSCYRGRINNIU-JLNYLFASSA-N 0 1 282.343 2.689 20 30 CFEDMN N#CC(C(=O)[C@@H]1COC[C@@H]1c1ccccc1)c1ccccn1 ZINC000850757326 634081746 /nfs/dbraw/zinc/08/17/46/634081746.db2.gz YWTJPXGGKHNULD-ARFHVFGLSA-N 0 1 292.338 2.688 20 30 CFEDMN CCCCCCCC[C@H](C)C(=O)C(C#N)C(=O)NC ZINC000850763399 634083032 /nfs/dbraw/zinc/08/30/32/634083032.db2.gz DLMPKBPOAOQKNT-STQMWFEESA-N 0 1 266.385 2.828 20 30 CFEDMN N#CC(C(=O)CCCF)=C(O)C1(c2ccccc2)CC1 ZINC000851108388 634226591 /nfs/dbraw/zinc/22/65/91/634226591.db2.gz BHZXHKFTQGYYGS-ZDUSSCGKSA-N 0 1 273.307 2.746 20 30 CFEDMN Oc1cccc(/C=N/C[C@H]2CCN2Cc2ccccc2)c1O ZINC000852998443 634871642 /nfs/dbraw/zinc/87/16/42/634871642.db2.gz LOQNWRWFIMLUFF-YDDPGSGASA-N 0 1 296.370 2.791 20 30 CFEDMN CC1(C)C(=NNCCN2CCCCC2)[C@H]2CCC[C@H]21 ZINC000853291308 634959934 /nfs/dbraw/zinc/95/99/34/634959934.db2.gz GFKXOJIIYAMYRZ-UONOGXRCSA-N 0 1 263.429 2.874 20 30 CFEDMN C(=NNCCN1CCCCC1)c1cc2ccncc2s1 ZINC000853292360 634960550 /nfs/dbraw/zinc/96/05/50/634960550.db2.gz WSWORHSAMBLHOM-UHFFFAOYSA-N 0 1 288.420 2.706 20 30 CFEDMN CC(C)c1c(Cl)ncnc1N=NC(C)c1cnc[nH]1 ZINC000853341389 634976786 /nfs/dbraw/zinc/97/67/86/634976786.db2.gz MWXYERSRTXDAQB-UHFFFAOYSA-N 0 1 278.747 2.813 20 30 CFEDMN C[C@H]1CCCCN1N=Cc1ccc(N2CCCC2)nc1 ZINC000853379125 634986853 /nfs/dbraw/zinc/98/68/53/634986853.db2.gz GFORICONHMQXAN-AWEZNQCLSA-N 0 1 272.396 2.890 20 30 CFEDMN Clc1cc(N=NC2CCCn3ccnc32)ccn1 ZINC000853397594 634993950 /nfs/dbraw/zinc/99/39/50/634993950.db2.gz QTAKFOJYGCJIRO-UHFFFAOYSA-N 0 1 261.716 2.542 20 30 CFEDMN C#Cc1cccnc1NCCN(CC)CCC(F)(F)F ZINC000853535017 635030478 /nfs/dbraw/zinc/03/04/78/635030478.db2.gz OKWHHSXPRBHLMR-UHFFFAOYSA-N 0 1 285.313 2.749 20 30 CFEDMN C=CC[C@@H]1CCCN(CN2C[C@H](c3ccccn3)CC2=O)C1 ZINC000853536856 635032378 /nfs/dbraw/zinc/03/23/78/635032378.db2.gz JOPFCJNWJIVGKD-HZPDHXFCSA-N 0 1 299.418 2.643 20 30 CFEDMN CC(C)=CCCON=C(N)c1ccc(N(C)C)cc1 ZINC000853657658 635064109 /nfs/dbraw/zinc/06/41/09/635064109.db2.gz VRKZADACTQVBRG-UHFFFAOYSA-N 0 1 261.369 2.746 20 30 CFEDMN C#CCOc1ccc(CNCc2ccccc2OC)cc1 ZINC000113310822 635531635 /nfs/dbraw/zinc/53/16/35/635531635.db2.gz JBQFUNGVBHIDDG-UHFFFAOYSA-N 0 1 281.355 2.997 20 30 CFEDMN C=CCCONC(=O)[C@@H]1CCc2c1cccc2Cl ZINC000856034068 635709063 /nfs/dbraw/zinc/70/90/63/635709063.db2.gz FOLLWURYRBTJII-GFCCVEGCSA-N 0 1 265.740 2.994 20 30 CFEDMN CC[C@H](C#N)Oc1cccc(CNCc2cnn(CC)c2)c1 ZINC000113960850 635748558 /nfs/dbraw/zinc/74/85/58/635748558.db2.gz VJIHHASVDMBEPI-MRXNPFEDSA-N 0 1 298.390 2.874 20 30 CFEDMN C[C@@H](CC1CCCC1)C(=O)C(C#N)C(=O)NC1CCCC1 ZINC000114618528 635866743 /nfs/dbraw/zinc/86/67/43/635866743.db2.gz GZTLBLBLLDIDIQ-WFASDCNBSA-N 0 1 290.407 2.970 20 30 CFEDMN C#C[C@H](NCc1ccnn1CCc1ccccc1)C(C)C ZINC000857045175 635916140 /nfs/dbraw/zinc/91/61/40/635916140.db2.gz AQTHGFVJLNSSOQ-SFHVURJKSA-N 0 1 281.403 2.873 20 30 CFEDMN C(=NN=c1[nH]c2cccnc2s1)c1cc2n(n1)CCCC2 ZINC000857218721 635949240 /nfs/dbraw/zinc/94/92/40/635949240.db2.gz UXRKVFUJWHDSKE-UHFFFAOYSA-N 0 1 298.375 2.670 20 30 CFEDMN CN(C)c1cc(F)c(CNCC2(CC#N)CC2)cc1F ZINC000858161383 636144169 /nfs/dbraw/zinc/14/41/69/636144169.db2.gz OPNWRMMKNQZKBC-UHFFFAOYSA-N 0 1 279.334 2.814 20 30 CFEDMN C#CC[C@@H](COC)NCc1cc(O)cc(C(F)(F)F)c1 ZINC000858335221 636195646 /nfs/dbraw/zinc/19/56/46/636195646.db2.gz PJSPSMBQUGGGDV-LBPRGKRZSA-N 0 1 287.281 2.539 20 30 CFEDMN C#CC[C@H](CCOC)Nc1cc[nH+]c2c([O-])cccc12 ZINC000858857121 636359380 /nfs/dbraw/zinc/35/93/80/636359380.db2.gz QCVDZXCWGODEOJ-GFCCVEGCSA-N 0 1 270.332 2.781 20 30 CFEDMN C#CC[C@H](CCOC)Nc1cc(C)nc2ccc(F)cc21 ZINC000858856457 636359699 /nfs/dbraw/zinc/35/96/99/636359699.db2.gz KLICTKRWXIPCPQ-CQSZACIVSA-N 0 1 286.350 2.945 20 30 CFEDMN C#CC(C)(C)N(C)Cc1cccnc1C(F)(F)F ZINC000859279698 636529527 /nfs/dbraw/zinc/52/95/27/636529527.db2.gz DQKBXZBHCHVYKS-UHFFFAOYSA-N 0 1 256.271 2.944 20 30 CFEDMN C#C[C@](C)(CC)NCC(=O)Nc1ccc(Cl)c(F)c1 ZINC000859318975 636541483 /nfs/dbraw/zinc/54/14/83/636541483.db2.gz JYFGLLJQYYJIRN-CQSZACIVSA-N 0 1 282.746 2.809 20 30 CFEDMN C#CCCN(CCOC)Cc1cccnc1C(F)(F)F ZINC000859361911 636550896 /nfs/dbraw/zinc/55/08/96/636550896.db2.gz TVAHZSKKYBKARF-UHFFFAOYSA-N 0 1 286.297 2.572 20 30 CFEDMN C#CCN(CCOCC1CC1)Cc1ccc(F)cc1 ZINC000159741786 650275795 /nfs/dbraw/zinc/27/57/95/650275795.db2.gz PTQLWJYPZZQAQB-UHFFFAOYSA-N 0 1 261.340 2.688 20 30 CFEDMN CN(Cc1ccccc1F)C[C@@H](O)c1ccc(C#N)cc1 ZINC000048873790 650281293 /nfs/dbraw/zinc/28/12/93/650281293.db2.gz CVLVRXWKTSFFDX-QGZVFWFLSA-N 0 1 284.334 2.863 20 30 CFEDMN N#CC(C(=O)CC1CCC(F)(F)CC1)C(=O)N1CCCC1 ZINC000860462014 636891175 /nfs/dbraw/zinc/89/11/75/636891175.db2.gz PLEPEIGGMRHENS-GFCCVEGCSA-N 0 1 298.333 2.533 20 30 CFEDMN CC[C@H](NC(=O)C(C#N)C(=O)C12CC(C1)C2)c1ccccc1 ZINC000860693331 636948431 /nfs/dbraw/zinc/94/84/31/636948431.db2.gz GBGIHBLUVCCYGO-TYTGLVAOSA-N 0 1 296.370 2.763 20 30 CFEDMN C=CCCCCCCNC(=O)N1CCNC[C@@H]1C(C)C ZINC000861631356 637222084 /nfs/dbraw/zinc/22/20/84/637222084.db2.gz BFYSRGOMHQBVRR-OAHLLOKOSA-N 0 1 281.444 2.762 20 30 CFEDMN CC[C@H](C)CONC(=O)C(C)(C)c1ccc(C#N)cc1 ZINC000861809432 637239560 /nfs/dbraw/zinc/23/95/60/637239560.db2.gz RLLYNUJFYKZVEQ-LBPRGKRZSA-N 0 1 274.364 2.930 20 30 CFEDMN C#CCN(Cc1ccc(OC)c(OC2CC2)c1)C1CC1 ZINC000862327128 637321462 /nfs/dbraw/zinc/32/14/62/637321462.db2.gz ZAQBQSRSQPXOFQ-UHFFFAOYSA-N 0 1 271.360 2.834 20 30 CFEDMN C#CC[C@@H]1CC[N@@H+](Cc2c([O-])cccc2Br)C1 ZINC000862447321 637386882 /nfs/dbraw/zinc/38/68/82/637386882.db2.gz LNUBGWBXKYRIMU-LLVKDONJSA-N 0 1 294.192 3.000 20 30 CFEDMN C#CC[C@@H]1CC[N@H+](Cc2c([O-])cccc2Br)C1 ZINC000862447321 637386890 /nfs/dbraw/zinc/38/68/90/637386890.db2.gz LNUBGWBXKYRIMU-LLVKDONJSA-N 0 1 294.192 3.000 20 30 CFEDMN C#CC[C@@H]1CCN(C(=O)c2ccc(CN(CC)CC)o2)C1 ZINC000862565307 637431437 /nfs/dbraw/zinc/43/14/37/637431437.db2.gz QYIXCAMAAPYDAJ-CQSZACIVSA-N 0 1 288.391 2.607 20 30 CFEDMN C#CC[C@H]1CCN(C(=O)[C@H](c2ccccc2)N(C)CC)C1 ZINC000862566710 637432718 /nfs/dbraw/zinc/43/27/18/637432718.db2.gz SXWWNRDVXOBXID-RDJZCZTQSA-N 0 1 284.403 2.551 20 30 CFEDMN CC[C@H](C#N)Oc1cccc(CNCc2ccnn2CC)c1 ZINC000119222344 637535031 /nfs/dbraw/zinc/53/50/31/637535031.db2.gz XIGYPINOVLKGHN-MRXNPFEDSA-N 0 1 298.390 2.874 20 30 CFEDMN FC(F)Oc1ccc(N=NC2C[N@H+]3C[C@@H]2CCC3)cc1 ZINC000863088294 637552658 /nfs/dbraw/zinc/55/26/58/637552658.db2.gz CXBMFSKKENUJCN-JTQLQIEISA-N 0 1 281.306 2.782 20 30 CFEDMN Cc1nc(Cl)cc(NN=Cc2cnc(C3CC3)o2)n1 ZINC000863095538 637553459 /nfs/dbraw/zinc/55/34/59/637553459.db2.gz RBUBINHDPLWNPS-UHFFFAOYSA-N 0 1 277.715 2.750 20 30 CFEDMN CCc1[nH]nc(Cl)c1C=NNc1cc(Cl)nc(C)n1 ZINC000863095619 637553688 /nfs/dbraw/zinc/55/36/88/637553688.db2.gz SHOGHOGLPNZRSU-UHFFFAOYSA-N 0 1 299.165 2.823 20 30 CFEDMN C[N@H+]1CCC(N=Nc2ccc(C(=O)[O-])c(F)c2)CC1(C)C ZINC000863117723 637562674 /nfs/dbraw/zinc/56/26/74/637562674.db2.gz BRJNGRCUMWTGDD-UHFFFAOYSA-N 0 1 293.342 2.796 20 30 CFEDMN COc1ccc(C)cc1C(C)=NNc1ccncc1C ZINC000863157754 637571581 /nfs/dbraw/zinc/57/15/81/637571581.db2.gz SEOPWAXGVQVEKC-UHFFFAOYSA-N 0 1 269.348 2.965 20 30 CFEDMN CCOc1cc(C=NNc2ccncc2C)ccc1OC ZINC000863157787 637571769 /nfs/dbraw/zinc/57/17/69/637571769.db2.gz UEXXJONUBSAGFN-UHFFFAOYSA-N 0 1 285.347 2.665 20 30 CFEDMN CC(=NNc1ccncc1C)c1cnn(C(C)C)c1C ZINC000863158263 637571931 /nfs/dbraw/zinc/57/19/31/637571931.db2.gz ULNNHGQSYHHRRS-UHFFFAOYSA-N 0 1 271.368 2.734 20 30 CFEDMN CCOC(=O)c1cc(C=NNc2cccc(C)n2)[nH]c1C ZINC000863160095 637574245 /nfs/dbraw/zinc/57/42/45/637574245.db2.gz QUALNGUAYYCVAX-UHFFFAOYSA-N 0 1 286.335 2.649 20 30 CFEDMN Cc1cccc(NN=Cc2c(C3CCC3)cnn2C)n1 ZINC000863160705 637575120 /nfs/dbraw/zinc/57/51/20/637575120.db2.gz PKDRJLIXYYNJKE-UHFFFAOYSA-N 0 1 269.352 2.837 20 30 CFEDMN COc1ccc2c(c1OC)OCC2=N[N-]c1cccc(C)[nH+]1 ZINC000863160503 637575797 /nfs/dbraw/zinc/57/57/97/637575797.db2.gz HOIIYQTWBNXTKJ-UHFFFAOYSA-N 0 1 299.330 2.616 20 30 CFEDMN C[C@H]1CC(=Nn2cccn2)CN(Cc2ccccc2)C1 ZINC000863164103 637576487 /nfs/dbraw/zinc/57/64/87/637576487.db2.gz AQFNMUYUDKITOF-AWEZNQCLSA-N 0 1 268.364 2.629 20 30 CFEDMN C=C(C)C[C@H]([NH2+]Cc1nc2c(s1)CCCC2)C(=O)[O-] ZINC000864529574 638013792 /nfs/dbraw/zinc/01/37/92/638013792.db2.gz JYMHREOQAASVPQ-NSHDSACASA-N 0 1 280.393 2.531 20 30 CFEDMN C#CCN1CCC(N(C)C(=O)[C@]2(C)CC=C(C)CC2)CC1 ZINC001006433213 650391573 /nfs/dbraw/zinc/39/15/73/650391573.db2.gz BWDNIAQEBYJLTO-GOSISDBHSA-N 0 1 288.435 2.679 20 30 CFEDMN C=CCCCN(C)CN1C(=O)C[C@H]1c1ccccc1 ZINC000076664605 650396767 /nfs/dbraw/zinc/39/67/67/650396767.db2.gz HGQGNGPKQCSDTF-HNNXBMFYSA-N 0 1 258.365 2.816 20 30 CFEDMN C#CCOc1ccccc1CNCc1ccc(O)c(F)c1 ZINC000120480428 638249731 /nfs/dbraw/zinc/24/97/31/638249731.db2.gz DGWBWUWSLDANMF-UHFFFAOYSA-N 0 1 285.318 2.833 20 30 CFEDMN C=C(C)COCCNc1ccncc1C(F)(F)F ZINC000865614332 638461968 /nfs/dbraw/zinc/46/19/68/638461968.db2.gz FBCMNIXRLNUOHN-UHFFFAOYSA-N 0 1 260.259 2.527 20 30 CFEDMN COc1ccc(CN[C@@H]2C[C@H]2C(F)(F)F)cc1C#N ZINC000865755331 638554929 /nfs/dbraw/zinc/55/49/29/638554929.db2.gz XARCYXHVKLFTSG-GHMZBOCLSA-N 0 1 270.254 2.607 20 30 CFEDMN Cc1cc(C[C@H](C)[NH2+][C@H](C)c2cccc(C#N)c2[O-])n[nH]1 ZINC000866307223 638794011 /nfs/dbraw/zinc/79/40/11/638794011.db2.gz UWSTWRKIHVGKRQ-CMPLNLGQSA-N 0 1 284.363 2.577 20 30 CFEDMN C=CCOCCCN[C@@H]1c2ccccc2OC[C@H]1F ZINC000866389375 638812465 /nfs/dbraw/zinc/81/24/65/638812465.db2.gz FXXBKTFFFNQJQK-UKRRQHHQSA-N 0 1 265.328 2.641 20 30 CFEDMN N#Cc1ccc2c(c1)[C@@H](NCc1ccnc(F)c1)CC2 ZINC000866473768 638827180 /nfs/dbraw/zinc/82/71/80/638827180.db2.gz HCIXONPTUYUFFU-HNNXBMFYSA-N 0 1 267.307 2.869 20 30 CFEDMN C[C@@H](C(=O)C(C#N)C(=O)NC1CCCC1)c1cccs1 ZINC000121837203 638897712 /nfs/dbraw/zinc/89/77/12/638897712.db2.gz WIPJIMANWWRNMF-ZYHUDNBSSA-N 0 1 290.388 2.619 20 30 CFEDMN CCCCC[C@H](C)NC(=O)[C@H]1NCCc2cc(C#N)ccc21 ZINC000867943000 638907486 /nfs/dbraw/zinc/90/74/86/638907486.db2.gz JBUMKSJEAIYGBZ-GUYCJALGSA-N 0 1 299.418 2.830 20 30 CFEDMN C[C@@H](CNC(=O)[C@H]1NCCc2cc(C#N)ccc21)C(C)(C)C ZINC000867953516 638908444 /nfs/dbraw/zinc/90/84/44/638908444.db2.gz YQHBUZXFLDSXDN-LRDDRELGSA-N 0 1 299.418 2.543 20 30 CFEDMN C=CCONC(=O)[C@H](c1cccnc1)C1CCCCC1 ZINC000868763328 638976547 /nfs/dbraw/zinc/97/65/47/638976547.db2.gz IJQOJYKHGQJDJG-HNNXBMFYSA-N 0 1 274.364 2.979 20 30 CFEDMN CC(C)(C)[C@@H]1C[C@H]1C(=O)C(C#N)C(=O)NCc1ccccc1 ZINC000870137283 639527809 /nfs/dbraw/zinc/52/78/09/639527809.db2.gz YCNLRZNZELMAJZ-RBSFLKMASA-N 0 1 298.386 2.694 20 30 CFEDMN Cc1cccc2nc([C@H](C#N)C(=O)[C@@H]3C[C@H](C)O[C@H]3C)[nH]c21 ZINC000870207725 639545027 /nfs/dbraw/zinc/54/50/27/639545027.db2.gz OAZVSIXXDXGFPY-WUHRBBMRSA-N 0 1 297.358 2.861 20 30 CFEDMN C=CC[N@H+](CCOC)Cc1ccc(O[C@H](C)C#N)cc1 ZINC000191764244 650522234 /nfs/dbraw/zinc/52/22/34/650522234.db2.gz OTXRQLRRKHQJLR-CQSZACIVSA-N 0 1 274.364 2.612 20 30 CFEDMN N#Cc1cccc(ONC(=O)[C@H]2CC23CCSCC3)c1 ZINC000870690046 639772427 /nfs/dbraw/zinc/77/24/27/639772427.db2.gz HTXYUMWQTIQRJE-CYBMUJFWSA-N 0 1 288.372 2.502 20 30 CFEDMN C#CCN(C)CCOc1ccccc1C(F)(F)F ZINC000192230488 650551031 /nfs/dbraw/zinc/55/10/31/650551031.db2.gz ULWPSSAOHUMFDT-UHFFFAOYSA-N 0 1 257.255 2.649 20 30 CFEDMN CC(C)[C@@H](C)C(=O)Nc1nc2ccc(C#N)cc2[nH]1 ZINC000871070602 641184734 /nfs/dbraw/zinc/18/47/34/641184734.db2.gz NKZAQKSGHXTJDJ-SECBINFHSA-N 0 1 256.309 2.665 20 30 CFEDMN CCCCO[C@H](C)C(=O)Nc1nc2ccc(C#N)cc2[nH]1 ZINC000871071556 641185001 /nfs/dbraw/zinc/18/50/01/641185001.db2.gz ZHKSYQMGWNTURS-SNVBAGLBSA-N 0 1 286.335 2.578 20 30 CFEDMN CCCCCC(=O)Nc1nc2ccc(C#N)cc2[nH]1 ZINC000871070157 641185354 /nfs/dbraw/zinc/18/53/54/641185354.db2.gz HONJZONGBKAEJI-UHFFFAOYSA-N 0 1 256.309 2.953 20 30 CFEDMN N#Cc1ccc2nc(NC(=O)[C@@H]3CC34CCCC4)[nH]c2c1 ZINC000871073247 641186105 /nfs/dbraw/zinc/18/61/05/641186105.db2.gz UZZCGONQIBUVHO-NSHDSACASA-N 0 1 280.331 2.953 20 30 CFEDMN CC(C)[C@H]1C[C@H]1C(=O)Nc1nc2ccc(C#N)cc2[nH]1 ZINC000871073262 641186216 /nfs/dbraw/zinc/18/62/16/641186216.db2.gz VJTAIDMYBWNLFT-GHMZBOCLSA-N 0 1 268.320 2.665 20 30 CFEDMN N#Cc1ccc2nc(NC(=O)C=C3CCSCC3)[nH]c2c1 ZINC000871072658 641186351 /nfs/dbraw/zinc/18/63/51/641186351.db2.gz NGKZTXSISWAVQY-UHFFFAOYSA-N 0 1 298.371 2.826 20 30 CFEDMN N#Cc1ccc2nc(NC(=O)[C@@H]3CCCCS3)[nH]c2c1 ZINC000871072532 641186446 /nfs/dbraw/zinc/18/64/46/641186446.db2.gz MJURKCAUSSTEGL-LBPRGKRZSA-N 0 1 286.360 2.659 20 30 CFEDMN C=C[C@@](C)(CC)C(=O)NOCCCC(F)(F)F ZINC000871215179 641251572 /nfs/dbraw/zinc/25/15/72/641251572.db2.gz RIWBNCMPEXVWJA-JTQLQIEISA-N 0 1 253.264 2.979 20 30 CFEDMN C#CCOCCC(=O)Nc1ccc2nc(CCCC)[nH]c2c1 ZINC000123697802 641361473 /nfs/dbraw/zinc/36/14/73/641361473.db2.gz VPJWCENLPVBUNH-UHFFFAOYSA-N 0 1 299.374 2.884 20 30 CFEDMN C#Cc1ccc(C[N@@H+]2CCC[C@@H](CCC(=O)[O-])C2)cc1 ZINC000871622078 641370017 /nfs/dbraw/zinc/37/00/17/641370017.db2.gz YOGFRRGHJPEJRF-HNNXBMFYSA-N 0 1 271.360 2.745 20 30 CFEDMN C=CCNc1cc(F)cc(CNC(=O)C(F)(F)F)c1 ZINC000871849913 641480916 /nfs/dbraw/zinc/48/09/16/641480916.db2.gz UUBXQQCOAQLQPI-UHFFFAOYSA-N 0 1 276.233 2.602 20 30 CFEDMN C=CCCNc1cc(F)cc(CNC(=O)C(F)(F)F)c1 ZINC000871849901 641481437 /nfs/dbraw/zinc/48/14/37/641481437.db2.gz UIDLHLIUOWSKMJ-UHFFFAOYSA-N 0 1 290.260 2.992 20 30 CFEDMN C=CC(C)(C)CCCN[C@H](C(N)=O)c1ccc(C#N)cc1 ZINC000871929826 641514215 /nfs/dbraw/zinc/51/42/15/641514215.db2.gz BRYWPZOCNKHDSO-HNNXBMFYSA-N 0 1 285.391 2.667 20 30 CFEDMN C=C(C)COCCN[C@H](C)c1cc(O)ccc1F ZINC000872049503 641584005 /nfs/dbraw/zinc/58/40/05/641584005.db2.gz UETMHWVCFAMDIT-LLVKDONJSA-N 0 1 253.317 2.775 20 30 CFEDMN Cc1nccnc1[C@H](C)N[C@H]1CCc2ccc(C#N)cc21 ZINC000872132678 641660463 /nfs/dbraw/zinc/66/04/63/641660463.db2.gz HDQAGWFGTPYOIS-LRDDRELGSA-N 0 1 278.359 2.995 20 30 CFEDMN C=C(Cl)C[N@@H+]1CCc2c(C(=O)[O-])ccc(OC)c2C1 ZINC000872166714 641686697 /nfs/dbraw/zinc/68/66/97/641686697.db2.gz OKZLATXAZBYPQZ-UHFFFAOYSA-N 0 1 281.739 2.504 20 30 CFEDMN C=C(Cl)C[N@H+]1CCc2c(C(=O)[O-])ccc(OC)c2C1 ZINC000872166714 641686701 /nfs/dbraw/zinc/68/67/01/641686701.db2.gz OKZLATXAZBYPQZ-UHFFFAOYSA-N 0 1 281.739 2.504 20 30 CFEDMN CC(C)[C@@H](N)c1noc(-c2sccc2CC#N)n1 ZINC000872170241 641689507 /nfs/dbraw/zinc/68/95/07/641689507.db2.gz FWKFKPHSNUHFPQ-SECBINFHSA-N 0 1 262.338 2.520 20 30 CFEDMN O=c1[nH]c(N=NC2CC[C@@H]3C[C@@H]32)nc2ccccc21 ZINC000872356563 641764908 /nfs/dbraw/zinc/76/49/08/641764908.db2.gz SLBDBQVKOCLQSV-SCZZXKLOSA-N 0 1 254.293 2.533 20 30 CFEDMN C[C@@H]1C(N=Nc2cc(F)c(F)c(F)c2)CCN1C ZINC000872355565 641765071 /nfs/dbraw/zinc/76/50/71/641765071.db2.gz YAWGIBIEELIJAF-SSDOTTSWSA-N 0 1 257.259 2.596 20 30 CFEDMN c1ccc2nc(CNN=C3CCN4CCC[C@H]34)ccc2c1 ZINC000872410301 641799146 /nfs/dbraw/zinc/79/91/46/641799146.db2.gz WHFVPCPFKPOXEA-QGZVFWFLSA-N 0 1 280.375 2.549 20 30 CFEDMN C=CC1CCN(CN2CCC3(CCCC3)C2=O)CC1 ZINC000872577642 641863631 /nfs/dbraw/zinc/86/36/31/641863631.db2.gz KVNMKDQENHSVHN-UHFFFAOYSA-N 0 1 262.397 2.635 20 30 CFEDMN CC(C)c1cc([C@@H]2CCCN(c3cc(C#N)ncn3)C2)[nH]n1 ZINC000872647653 641885263 /nfs/dbraw/zinc/88/52/63/641885263.db2.gz HYNXOMJVJWDNPG-GFCCVEGCSA-N 0 1 296.378 2.579 20 30 CFEDMN CC(C)c1cc([C@@H]2CCCN(c3cc(C#N)cnn3)C2)[nH]n1 ZINC000872649283 641886504 /nfs/dbraw/zinc/88/65/04/641886504.db2.gz WGFPWSMEPPKMFF-CYBMUJFWSA-N 0 1 296.378 2.579 20 30 CFEDMN CCC[C@@H](CC)C(=O)C(C#N)C(=O)NCc1ccccc1 ZINC000873497455 642223375 /nfs/dbraw/zinc/22/33/75/642223375.db2.gz KYZAEWYADWAVFL-HUUCEWRRSA-N 0 1 286.375 2.838 20 30 CFEDMN C=CCCCCC[C@@H](C)[NH2+]C1CCN(CC(=O)[O-])CC1 ZINC000874047643 642328672 /nfs/dbraw/zinc/32/86/72/642328672.db2.gz WMVSTWWXJKPFJZ-CQSZACIVSA-N 0 1 282.428 2.650 20 30 CFEDMN C=C(Br)CN[C@@H](COC)Cc1ccccc1 ZINC000125092312 642434368 /nfs/dbraw/zinc/43/43/68/642434368.db2.gz WDDSZFIWTDYUTD-CYBMUJFWSA-N 0 1 284.197 2.742 20 30 CFEDMN C#C[C@H]1CC[C@H](NC(=O)[C@@H](c2ccccc2)N(C)CC)CC1 ZINC000874864535 642535800 /nfs/dbraw/zinc/53/58/00/642535800.db2.gz JISDDZDYXOBZDL-KBAYOESNSA-N 0 1 298.430 2.988 20 30 CFEDMN C=CC(C)(C)CCCNC(=O)N[C@H](C)c1n[nH]c(CC)n1 ZINC000876320106 642822253 /nfs/dbraw/zinc/82/22/53/642822253.db2.gz AJTBHKBWSKSHOG-LLVKDONJSA-N 0 1 293.415 2.720 20 30 CFEDMN C=CCN(CC=C)C(=O)[C@H](N)c1cccc(C(F)(F)F)c1 ZINC000876546692 642914673 /nfs/dbraw/zinc/91/46/73/642914673.db2.gz QRQMABMOKTYPCC-CYBMUJFWSA-N 0 1 298.308 2.906 20 30 CFEDMN N#Cc1cnc(Cl)c(CN[C@@H]2COc3ccccc3C2)c1 ZINC000876977087 643090760 /nfs/dbraw/zinc/09/07/60/643090760.db2.gz WNYBHKXKBFXMCC-AWEZNQCLSA-N 0 1 299.761 2.700 20 30 CFEDMN N#CC(C(=O)Cc1ccc(F)cc1F)c1ccccn1 ZINC000088803662 650820582 /nfs/dbraw/zinc/82/05/82/650820582.db2.gz FLLYVBNGJJPGHC-GFCCVEGCSA-N 0 1 272.254 2.779 20 30 CFEDMN C#C[C@@H](C)N(C)Cc1cn(C)nc1-c1cc(F)ccc1F ZINC000877480530 643297306 /nfs/dbraw/zinc/29/73/06/643297306.db2.gz YFHNQEUGEJGTKC-LLVKDONJSA-N 0 1 289.329 2.819 20 30 CFEDMN CO[C@]1(C)CCCN(Cc2cc(C#N)cnc2Cl)CC1 ZINC000877492163 643305720 /nfs/dbraw/zinc/30/57/20/643305720.db2.gz SUBJQWQLJBUVDO-OAHLLOKOSA-N 0 1 293.798 2.998 20 30 CFEDMN CN(Cc1cc(C#N)cnc1Cl)C1CCC(CO)CC1 ZINC000877532340 643336173 /nfs/dbraw/zinc/33/61/73/643336173.db2.gz VFOQKMWRDRILLS-UHFFFAOYSA-N 0 1 293.798 2.590 20 30 CFEDMN C#C[C@@H](NCc1cc2c(cc[nH]c2=O)o1)C(C)(C)C ZINC000877534178 643337458 /nfs/dbraw/zinc/33/74/58/643337458.db2.gz ALKVUHGRCRWNIW-CYBMUJFWSA-N 0 1 258.321 2.671 20 30 CFEDMN C#C[C@H](NCc1ccccc1OCCCCO)C(C)(C)C ZINC000877534401 643337703 /nfs/dbraw/zinc/33/77/03/643337703.db2.gz HXGAQRUIXGBJJC-KRWDZBQOSA-N 0 1 289.419 2.975 20 30 CFEDMN COc1ccc2c(c1)CN(C[C@@H](C)CCC#N)CCO2 ZINC000877567728 643366737 /nfs/dbraw/zinc/36/67/37/643366737.db2.gz QOAYKQXIRRUHJU-ZDUSSCGKSA-N 0 1 274.364 2.829 20 30 CFEDMN COc1c(C)cnc(CNCC(C)(C)CC#N)c1C ZINC000877583978 643379303 /nfs/dbraw/zinc/37/93/03/643379303.db2.gz WCZKIDUIDNDWTD-UHFFFAOYSA-N 0 1 261.369 2.737 20 30 CFEDMN C#CC[C@H]1CCC[N@H+](Cc2ccc(F)c(F)c2[O-])C1 ZINC000877605052 643393011 /nfs/dbraw/zinc/39/30/11/643393011.db2.gz LLJJAZVQMYPJEV-NSHDSACASA-N 0 1 265.303 2.906 20 30 CFEDMN C[C@H]1CCC[C@H](CNCc2cc(C#N)cnc2Cl)O1 ZINC000877630038 643413886 /nfs/dbraw/zinc/41/38/86/643413886.db2.gz DQHJNHHRAPCORM-GXFFZTMASA-N 0 1 279.771 2.654 20 30 CFEDMN CO[C@@H](CNCc1cc(C#N)cnc1Cl)C1CCCC1 ZINC000877638230 643422936 /nfs/dbraw/zinc/42/29/36/643422936.db2.gz CSCKQKRJNPWUHY-AWEZNQCLSA-N 0 1 293.798 2.901 20 30 CFEDMN CCc1nocc1CN(C)CCc1cccc(C#N)c1 ZINC000877704592 643471038 /nfs/dbraw/zinc/47/10/38/643471038.db2.gz KLCNWXFWBCNMEJ-UHFFFAOYSA-N 0 1 269.348 2.783 20 30 CFEDMN CC(C)(C)OC(=O)NC[C@@H]1CC[N@@H+](CC2(CC#N)CC2)C1 ZINC000878032439 643702271 /nfs/dbraw/zinc/70/22/71/643702271.db2.gz PXEQCHJHLQKZCK-ZDUSSCGKSA-N 0 1 293.411 2.527 20 30 CFEDMN C=C[C@@H]1OCCC[C@H]1NCc1ncccc1Br ZINC000878680135 643988165 /nfs/dbraw/zinc/98/81/65/643988165.db2.gz IDBDVGGYRXJXGQ-YPMHNXCESA-N 0 1 297.196 2.667 20 30 CFEDMN C#CC[C@H]1CCCN(Cc2cnc(C(=O)OCC)s2)C1 ZINC000878760983 644017873 /nfs/dbraw/zinc/01/78/73/644017873.db2.gz MGNNIUKEBOHXEV-LBPRGKRZSA-N 0 1 292.404 2.555 20 30 CFEDMN C#CC[C@@H]1CCCN(Cc2nnc(-c3ccccc3O)o2)C1 ZINC000878760420 644018213 /nfs/dbraw/zinc/01/82/13/644018213.db2.gz JNZPSSOBINGPDW-CYBMUJFWSA-N 0 1 297.358 2.678 20 30 CFEDMN C#CCCN1CCN(Cc2cc(Cl)nc(Cl)c2)CC1 ZINC000127368361 644051883 /nfs/dbraw/zinc/05/18/83/644051883.db2.gz KVNWWTSCXCPIIT-UHFFFAOYSA-N 0 1 298.217 2.529 20 30 CFEDMN C=CCCC[C@@H](C(=O)N(C)Cc1nnc[nH]1)c1ccccc1 ZINC000878907332 644070082 /nfs/dbraw/zinc/07/00/82/644070082.db2.gz CYLHTHIELAPCRK-OAHLLOKOSA-N 0 1 298.390 2.903 20 30 CFEDMN C#CCN(Cc1ccc2ncccc2c1)C1CSC1 ZINC000878909515 644071835 /nfs/dbraw/zinc/07/18/35/644071835.db2.gz FDAGPWWFWKFMCJ-UHFFFAOYSA-N 0 1 268.385 2.785 20 30 CFEDMN CN(CCCN(C)[C@H]1CCC[C@H]1C#N)C(=O)OC(C)(C)C ZINC000879309151 644217599 /nfs/dbraw/zinc/21/75/99/644217599.db2.gz KRACMRITNYUWQA-KBPBESRZSA-N 0 1 295.427 2.867 20 30 CFEDMN CN(C)c1ccc(CN(C)[C@H]2CCC[C@H]2C#N)cc1 ZINC000879310616 644219121 /nfs/dbraw/zinc/21/91/21/644219121.db2.gz XOVFERANWRKJTD-HOCLYGCPSA-N 0 1 257.381 2.877 20 30 CFEDMN Cc1ccc(O)c(C(=O)Nc2cc(C#N)ccc2O)c1 ZINC000091696027 650905645 /nfs/dbraw/zinc/90/56/45/650905645.db2.gz MHAQJSBFBOCDQC-UHFFFAOYSA-N 0 1 268.272 2.530 20 30 CFEDMN C=C(C)[C@@H](CO)N[C@@H](CC)c1cccc(OC)c1OC ZINC000879465090 644280353 /nfs/dbraw/zinc/28/03/53/644280353.db2.gz BHYALYJCXLQADH-UONOGXRCSA-N 0 1 279.380 2.682 20 30 CFEDMN C=C(CC)CN1Cc2cccnc2N2CCC[C@@H]2C1 ZINC000879500816 644293178 /nfs/dbraw/zinc/29/31/78/644293178.db2.gz YQYNAOOPHUEVKM-OAHLLOKOSA-N 0 1 257.381 2.832 20 30 CFEDMN C=CC(C)(C)CC(=O)N[C@@H](Cc1nc[nH]n1)c1ccccc1 ZINC000879549028 644313422 /nfs/dbraw/zinc/31/34/22/644313422.db2.gz XQLRZORXQNTBKX-AWEZNQCLSA-N 0 1 298.390 2.807 20 30 CFEDMN N#Cc1c(CN2CC[C@H]3CSC[C@@H]3C2)cn2ccccc12 ZINC000879559327 644318821 /nfs/dbraw/zinc/31/88/21/644318821.db2.gz RFWTZWBZOQVVPB-ZFWWWQNUSA-N 0 1 297.427 2.996 20 30 CFEDMN N#Cc1cccc(CN2CC[C@H]3CSC[C@H]3C2)c1F ZINC000879563047 644321646 /nfs/dbraw/zinc/32/16/46/644321646.db2.gz PUURPRXGILCVCT-UONOGXRCSA-N 0 1 276.380 2.882 20 30 CFEDMN C[C@@H]1CC[C@@H](CC(=O)C(C#N)C(=O)Nc2ccccn2)C1 ZINC000247781831 650915793 /nfs/dbraw/zinc/91/57/93/650915793.db2.gz XSSZWGXUWPRVCV-UPJWGTAASA-N 0 1 285.347 2.555 20 30 CFEDMN C=CCCCCN(CC(=O)NC)Cc1ccccc1 ZINC000879757263 644414665 /nfs/dbraw/zinc/41/46/65/644414665.db2.gz SKVILGOSIRMAFJ-UHFFFAOYSA-N 0 1 260.381 2.591 20 30 CFEDMN C#CCCCCN[C@@H](c1ncc[nH]1)c1ccccc1 ZINC000128032378 644438605 /nfs/dbraw/zinc/43/86/05/644438605.db2.gz JYEGEAULBXDLQQ-OAHLLOKOSA-N 0 1 253.349 2.892 20 30 CFEDMN CCCCCCCCN1CC[C@H]2CS(=O)(=O)C[C@@H]2C1 ZINC000879934160 644464982 /nfs/dbraw/zinc/46/49/82/644464982.db2.gz YLANOHYXFABQFQ-GJZGRUSLSA-N 0 1 287.469 2.713 20 30 CFEDMN Cn1cc(C(=O)Nc2cc(C#N)ccc2O)c(C(C)(C)C)n1 ZINC000092814962 650925819 /nfs/dbraw/zinc/92/58/19/650925819.db2.gz QJJFXPJCSNMEPY-UHFFFAOYSA-N 0 1 298.346 2.547 20 30 CFEDMN CC(=O)Nc1ccc2c(c1)CN([C@H](C)CCC#N)CC2 ZINC000880030693 644507718 /nfs/dbraw/zinc/50/77/18/644507718.db2.gz BMFRZAXMTPZMBI-GFCCVEGCSA-N 0 1 271.364 2.695 20 30 CFEDMN C=CCOCCN1CCc2cc(OC)c(OC)cc2[C@@H]1C ZINC000880089905 644527258 /nfs/dbraw/zinc/52/72/58/644527258.db2.gz MAHGZXFDAOVBAK-ZDUSSCGKSA-N 0 1 291.391 2.826 20 30 CFEDMN C#CC[N@@H+]1CCCSC[C@@H]1c1ccccc1OC ZINC000880172951 644563365 /nfs/dbraw/zinc/56/33/65/644563365.db2.gz DYDXJBANAPJMCC-CQSZACIVSA-N 0 1 261.390 2.808 20 30 CFEDMN C#CCN1CCCSC[C@@H]1c1ccccc1OC ZINC000880172951 644563369 /nfs/dbraw/zinc/56/33/69/644563369.db2.gz DYDXJBANAPJMCC-CQSZACIVSA-N 0 1 261.390 2.808 20 30 CFEDMN C=CC(C)(C)CC(=O)N1CCN(CC)C[C@H]1CC ZINC000880227741 644589956 /nfs/dbraw/zinc/58/99/56/644589956.db2.gz VELSBNCKCIUENT-CYBMUJFWSA-N 0 1 252.402 2.531 20 30 CFEDMN COC(=O)c1ccc2c(c1)CCN([C@H]1CC[C@@H](C#N)C1)C2 ZINC000880351321 644662960 /nfs/dbraw/zinc/66/29/60/644662960.db2.gz QPIGQBCTNTUXQZ-WBMJQRKESA-N 0 1 284.359 2.524 20 30 CFEDMN C#CCC1(O)CCN(Cc2ccc(Cl)c(OC)c2)CC1 ZINC000880482297 644731996 /nfs/dbraw/zinc/73/19/96/644731996.db2.gz DNCDHIDRRCVHBT-UHFFFAOYSA-N 0 1 293.794 2.699 20 30 CFEDMN Cc1ccc(C(=O)N2CCN(C)[C@@H](C(C)(C)C)C2)cc1C#N ZINC000880611836 644788160 /nfs/dbraw/zinc/78/81/60/644788160.db2.gz DMIFTVXIPBJOFI-MRXNPFEDSA-N 0 1 299.418 2.669 20 30 CFEDMN C=CCCC(C)(C)NC(=O)[C@H]1c2cn[nH]c2CC[C@@H]1C ZINC000880769308 644834324 /nfs/dbraw/zinc/83/43/24/644834324.db2.gz ZJKFEMIQPVWNMA-SMDDNHRTSA-N 0 1 275.396 2.937 20 30 CFEDMN CCc1cc(CNc2ccc(C#N)cc2COC)n[nH]1 ZINC000881978689 645167271 /nfs/dbraw/zinc/16/72/71/645167271.db2.gz ZJOFFVUXPQUMGO-UHFFFAOYSA-N 0 1 270.336 2.602 20 30 CFEDMN N#Cc1cc(NC(=O)CCc2cnc[nH]2)ccc1C1CC1 ZINC000882311154 645277854 /nfs/dbraw/zinc/27/78/54/645277854.db2.gz FSFDCVMSRMDOFB-UHFFFAOYSA-N 0 1 280.331 2.730 20 30 CFEDMN C=C(C)CN1CCC[C@@H](NC(=O)c2cccs2)C1 ZINC001006627881 651126906 /nfs/dbraw/zinc/12/69/06/651126906.db2.gz XZFIIRNSKLGIEU-GFCCVEGCSA-N 0 1 264.394 2.518 20 30 CFEDMN C#CC[C@H](CO)NCc1ccc(-c2ccc(C)cc2)o1 ZINC000883123082 645613562 /nfs/dbraw/zinc/61/35/62/645613562.db2.gz KJYCWOSXWPKBDQ-OAHLLOKOSA-N 0 1 269.344 2.729 20 30 CFEDMN C=CCC[C@@H](NCc1csc(N(C)C)n1)[C@H]1CCCO1 ZINC000883195017 645655522 /nfs/dbraw/zinc/65/55/22/645655522.db2.gz JBYOJRMTUMUDTH-ZIAGYGMSSA-N 0 1 295.452 2.813 20 30 CFEDMN C=C(C)C[C@H](CO)NCc1ccc([N+](=O)[O-])cc1Cl ZINC000883400135 645796591 /nfs/dbraw/zinc/79/65/91/645796591.db2.gz FMJHLQJYFPCMEC-LLVKDONJSA-N 0 1 284.743 2.665 20 30 CFEDMN C=C(C)C[C@@H](CO)NCc1ncc(C(C)(C)C)s1 ZINC000883400184 645796726 /nfs/dbraw/zinc/79/67/26/645796726.db2.gz GKVYJNKVYJHUNJ-NSHDSACASA-N 0 1 268.426 2.857 20 30 CFEDMN C=CC(C)(C)CCNC(=O)[C@H](N)Cc1c[nH]c2ccccc12 ZINC000884428564 646352651 /nfs/dbraw/zinc/35/26/51/646352651.db2.gz HAHIQJDOFPWMIG-OAHLLOKOSA-N 0 1 299.418 2.756 20 30 CFEDMN C=C(C)COCCNCc1c(Cl)n(C)nc1C(C)C ZINC000134503602 646353009 /nfs/dbraw/zinc/35/30/09/646353009.db2.gz QITXSINOGASTQG-UHFFFAOYSA-N 0 1 285.819 2.879 20 30 CFEDMN Cc1cccnc1NN=Cc1cccc2c1CCOC2 ZINC000884454546 646368059 /nfs/dbraw/zinc/36/80/59/646368059.db2.gz QTZGLFHRYSQBEQ-UHFFFAOYSA-N 0 1 267.332 2.909 20 30 CFEDMN C#CC[C@H]1CCN(c2cc[nH+]c3c([O-])cccc23)C1 ZINC000884594295 646476427 /nfs/dbraw/zinc/47/64/27/646476427.db2.gz FJQCBVUDNCMDQP-LBPRGKRZSA-N 0 1 252.317 2.790 20 30 CFEDMN C#CCCCCCOC(=O)[C@H]1c2cn[nH]c2CC[C@@H]1C ZINC000885255635 646648332 /nfs/dbraw/zinc/64/83/32/646648332.db2.gz XKSQUAPZFWUBBQ-SWLSCSKDSA-N 0 1 274.364 2.812 20 30 CFEDMN C[C@H]1CCc2[nH]ncc2[C@@H]1C(=O)OCc1ccc(C#N)cc1 ZINC000885261587 646651318 /nfs/dbraw/zinc/65/13/18/646651318.db2.gz XANFPQOWAYETCT-MEDUHNTESA-N 0 1 295.342 2.691 20 30 CFEDMN C=CCn1ncc2ccc(NC(=O)CN(CC)C3CC3)cc21 ZINC000885573742 646710065 /nfs/dbraw/zinc/71/00/65/646710065.db2.gz QZZHKBWOQPIQTK-UHFFFAOYSA-N 0 1 298.390 2.645 20 30 CFEDMN C#Cc1ccc(NC(=O)[C@H]2CCc3[nH]cnc3C2)c(Cl)c1 ZINC000885670164 646733826 /nfs/dbraw/zinc/73/38/26/646733826.db2.gz VDQRJNBSMPDJIM-NSHDSACASA-N 0 1 299.761 2.788 20 30 CFEDMN C#Cc1ccc(NC(=O)[C@@H]2CCc3[nH]cnc3C2)c(Cl)c1 ZINC000885670163 646733836 /nfs/dbraw/zinc/73/38/36/646733836.db2.gz VDQRJNBSMPDJIM-LLVKDONJSA-N 0 1 299.761 2.788 20 30 CFEDMN Cc1csc(C(C#N)C(=O)C=Cc2cncc(F)c2)n1 ZINC000136095184 646739249 /nfs/dbraw/zinc/73/92/49/646739249.db2.gz JJPDBABMJAOVAT-QAVQXKDTSA-N 0 1 287.319 2.875 20 30 CFEDMN C=CCN(Cc1ccccc1)C[C@](C)(O)C(F)F ZINC000885937551 646774350 /nfs/dbraw/zinc/77/43/50/646774350.db2.gz CEOGODWRFCHKSW-AWEZNQCLSA-N 0 1 255.308 2.691 20 30 CFEDMN C#CC[C@@H]1CC[N@H+](Cc2cc(F)cc3c2OCOC3)C1 ZINC000886354097 646982826 /nfs/dbraw/zinc/98/28/26/646982826.db2.gz VXJZADYJYNDLST-GFCCVEGCSA-N 0 1 275.323 2.537 20 30 CFEDMN C#CC[C@H]1CC[N@H+](CC(=O)Nc2cccc(SC)c2)C1 ZINC000886353138 646982886 /nfs/dbraw/zinc/98/28/86/646982886.db2.gz CEWSYHVJHLAHJY-ZDUSSCGKSA-N 0 1 288.416 2.692 20 30 CFEDMN C#CC[C@H]1CCN(CC(=O)Nc2cccc(SC)c2)C1 ZINC000886353138 646982887 /nfs/dbraw/zinc/98/28/87/646982887.db2.gz CEWSYHVJHLAHJY-ZDUSSCGKSA-N 0 1 288.416 2.692 20 30 CFEDMN C#CC[C@@H]1CC[N@H+]([C@H](C)C(=O)Nc2cccc(C)c2)C1 ZINC000886353409 646983142 /nfs/dbraw/zinc/98/31/42/646983142.db2.gz IPJCEAFHKDZPBU-HUUCEWRRSA-N 0 1 270.376 2.667 20 30 CFEDMN C#CC[C@H]1CC[N@H+]([C@H](C)C(=O)Nc2cccc(C)c2)C1 ZINC000886353407 646983517 /nfs/dbraw/zinc/98/35/17/646983517.db2.gz IPJCEAFHKDZPBU-CABCVRRESA-N 0 1 270.376 2.667 20 30 CFEDMN C#CC[C@H]1CCN(CC(=O)Nc2cccc(Cl)c2)C1 ZINC000886356047 646983863 /nfs/dbraw/zinc/98/38/63/646983863.db2.gz SLKMICBRAKXWLL-LBPRGKRZSA-N 0 1 276.767 2.624 20 30 CFEDMN C#CC[C@@H]1CCN([C@@H](C)C(=O)Nc2ccc(F)c(F)c2)C1 ZINC000886355861 646984160 /nfs/dbraw/zinc/98/41/60/646984160.db2.gz OUGVNCMJNIKGSA-NWDGAFQWSA-N 0 1 292.329 2.637 20 30 CFEDMN C#CC[C@H]1CCN(CC(=O)Nc2ccc(Cl)cc2)C1 ZINC000886358702 646986088 /nfs/dbraw/zinc/98/60/88/646986088.db2.gz ZZQAFCGYQNEGQU-LBPRGKRZSA-N 0 1 276.767 2.624 20 30 CFEDMN C#CC[C@@H]1CCN([C@@H](C)c2cn(-c3ccccc3)nn2)C1 ZINC000886359598 646986971 /nfs/dbraw/zinc/98/69/71/646986971.db2.gz GEDQFJGMABEQQF-LSDHHAIUSA-N 0 1 280.375 2.674 20 30 CFEDMN C#CCC1([NH2+]Cc2cccc([O-])c2Cl)CCOCC1 ZINC000886379284 646993273 /nfs/dbraw/zinc/99/32/73/646993273.db2.gz VCRJYGGVYFPZJP-UHFFFAOYSA-N 0 1 279.767 2.708 20 30 CFEDMN C#CCOc1ccccc1CN[C@H](c1cnn(C)c1)C(C)C ZINC000886547073 647042022 /nfs/dbraw/zinc/04/20/22/647042022.db2.gz FINWKNNZJPAPOH-SFHVURJKSA-N 0 1 297.402 2.919 20 30 CFEDMN C[C@@H](c1ccc(C#N)cc1)N1CC[C@](CO)(C(F)(F)F)C1 ZINC000886799465 647142616 /nfs/dbraw/zinc/14/26/16/647142616.db2.gz RDPXUCVKABMESL-FZMZJTMJSA-N 0 1 298.308 2.866 20 30 CFEDMN N#Cc1c(F)cccc1CNCC1(C2(O)CCC2)CCC1 ZINC000886980582 647187988 /nfs/dbraw/zinc/18/79/88/647187988.db2.gz ALPWVSUVYUDHSD-UHFFFAOYSA-N 0 1 288.366 2.872 20 30 CFEDMN C=C1CCC(C(=O)N2C[C@@H](C)N(CC)C[C@@H]2C)CC1 ZINC000889788407 647671436 /nfs/dbraw/zinc/67/14/36/647671436.db2.gz DEJBDGNVUSOWSQ-KGLIPLIRSA-N 0 1 264.413 2.674 20 30 CFEDMN COc1ccnc([C@H](C)NCc2ccc(OCC#N)cc2)c1 ZINC000925366489 648159103 /nfs/dbraw/zinc/15/91/03/648159103.db2.gz FXUIVFGYMBPTNE-ZDUSSCGKSA-N 0 1 297.358 2.843 20 30 CFEDMN C[C@@H](CC(C)(C)C#N)N[C@H](CCO)c1ccco1 ZINC000926197608 648431045 /nfs/dbraw/zinc/43/10/45/648431045.db2.gz QGXRDYXUGLJOAM-NWDGAFQWSA-N 0 1 250.342 2.621 20 30 CFEDMN N#CC(CCc1ccccc1)C(=O)N1CCC[C@@H](C#N)C1 ZINC000928219035 648875931 /nfs/dbraw/zinc/87/59/31/648875931.db2.gz NFBHIYIRXTWHTE-JKSUJKDBSA-N 0 1 281.359 2.521 20 30 CFEDMN N#C[C@@H]1CCCN(C(=O)c2cc(-c3ccc(F)cc3)[nH]n2)C1 ZINC000928228512 648879515 /nfs/dbraw/zinc/87/95/15/648879515.db2.gz DUSNVIGPEYYFDM-NSHDSACASA-N 0 1 298.321 2.592 20 30 CFEDMN C[C@@H]1CC[C@H](C)[N@@H+]1CC(=O)Nc1ccc(CCC#N)cc1 ZINC000928403642 648907742 /nfs/dbraw/zinc/90/77/42/648907742.db2.gz DERDYHRUYOUSOV-OKILXGFUSA-N 0 1 285.391 2.954 20 30 CFEDMN C=CCCC[C@@H](C(=O)NC[C@H]1CCN1C)c1ccccc1 ZINC000928571551 648925657 /nfs/dbraw/zinc/92/56/57/648925657.db2.gz OXDZPGZNQCHKLD-IAGOWNOFSA-N 0 1 286.419 2.947 20 30 CFEDMN C#CCN(C(=O)c1cccc(C(F)(F)F)c1O)C(C)C ZINC000928622940 648937057 /nfs/dbraw/zinc/93/70/57/648937057.db2.gz FQGVFMGLRGPWNN-UHFFFAOYSA-N 0 1 285.265 2.895 20 30 CFEDMN C#CCN1CCC(NC(=O)C[C@@H](C)c2ccccc2C)CC1 ZINC000928655621 648938630 /nfs/dbraw/zinc/93/86/30/648938630.db2.gz UPNVWLXEBLSNKG-MRXNPFEDSA-N 0 1 298.430 2.702 20 30 CFEDMN C#CCN1CCC(NC(=O)C=C(CCC)CCC)CC1 ZINC000928653907 648939102 /nfs/dbraw/zinc/93/91/02/648939102.db2.gz FSISZHNNULRDGF-UHFFFAOYSA-N 0 1 276.424 2.727 20 30 CFEDMN C#CCN1CCC(NC(=O)c2ccc(CCC)s2)CC1 ZINC000928659874 648939506 /nfs/dbraw/zinc/93/95/06/648939506.db2.gz CAPFOBNDCWXIGF-UHFFFAOYSA-N 0 1 290.432 2.528 20 30 CFEDMN N#CC[C@@H](NC(=O)c1ccc(O)c(Cl)c1)C(F)(F)F ZINC000928815666 648960065 /nfs/dbraw/zinc/96/00/65/648960065.db2.gz SQUYFSPBRONNCA-SECBINFHSA-N 0 1 292.644 2.620 20 30 CFEDMN COCC[N@@H+](CCc1ccccc1)Cc1cncc(C#N)c1 ZINC000929391929 649043793 /nfs/dbraw/zinc/04/37/93/649043793.db2.gz JNTRSJKNINUMHM-UHFFFAOYSA-N 0 1 295.386 2.644 20 30 CFEDMN COCCN(C/C=C(\C)COC)Cc1ccc(C#N)cc1 ZINC000929396075 649044803 /nfs/dbraw/zinc/04/48/03/649044803.db2.gz ZZQXTPFTHGJBDZ-OVCLIPMQSA-N 0 1 288.391 2.599 20 30 CFEDMN C[C@@H](C#N)CN(C)C[C@@H]1CN(C(=O)OC(C)(C)C)C[C@H]1C ZINC000929471168 649055527 /nfs/dbraw/zinc/05/55/27/649055527.db2.gz DYEXFMIIVZEHID-BFHYXJOUSA-N 0 1 295.427 2.581 20 30 CFEDMN C[C@@H](O)[C@@H]1CCCCN1Cc1cc(Cl)cc(C#N)c1 ZINC000929594345 649073866 /nfs/dbraw/zinc/07/38/66/649073866.db2.gz CVWPEIUCIDNMNB-ABAIWWIYSA-N 0 1 278.783 2.947 20 30 CFEDMN C=CCCCCCN(C)Cc1[nH]nc2c1COCC2 ZINC000929693403 649098456 /nfs/dbraw/zinc/09/84/56/649098456.db2.gz CQJLDMJKZPQUKK-UHFFFAOYSA-N 0 1 263.385 2.661 20 30 CFEDMN C[C@H](CC#N)N(C)C[C@@H]1CN(C(=O)OC(C)(C)C)C[C@H]1C ZINC000929830601 649133402 /nfs/dbraw/zinc/13/34/02/649133402.db2.gz ICNSJYFXDZMZJU-MGPQQGTHSA-N 0 1 295.427 2.723 20 30 CFEDMN CC(C)OC(=O)[C@@H](C)N(C)CC1CCC(C#N)CC1 ZINC000929832775 649134600 /nfs/dbraw/zinc/13/46/00/649134600.db2.gz ABBIXOIMMCXDKU-IYXRBSQSSA-N 0 1 266.385 2.588 20 30 CFEDMN C=CC1(CC(=O)NCc2cn[nH]c2C)CCCCC1 ZINC000929916999 649149725 /nfs/dbraw/zinc/14/97/25/649149725.db2.gz WUCAGLLXQSBSAO-UHFFFAOYSA-N 0 1 261.369 2.861 20 30 CFEDMN CC1CC(CN2CCO[C@@H](c3cccc(C#N)c3)C2)C1 ZINC000930133667 649191727 /nfs/dbraw/zinc/19/17/27/649191727.db2.gz BOGFJSAPUREHPC-PUJMQQBBSA-N 0 1 270.376 2.978 20 30 CFEDMN CC(NC[C@H](O)CC#N)(c1ccccc1)c1ccccc1 ZINC000930213779 649207718 /nfs/dbraw/zinc/20/77/18/649207718.db2.gz JPRVJQOGXVCYLN-QGZVFWFLSA-N 0 1 280.371 2.814 20 30 CFEDMN Cc1nc(C)c(CNC2(c3cccc(C#N)c3)CC2)[nH]1 ZINC000930218633 649208478 /nfs/dbraw/zinc/20/84/78/649208478.db2.gz CASVFJGEUJCUGH-UHFFFAOYSA-N 0 1 266.348 2.677 20 30 CFEDMN COC(=O)[C@]1(C)CCCN1CCCCC1(C#N)CCC1 ZINC000930260237 649216882 /nfs/dbraw/zinc/21/68/82/649216882.db2.gz IWIFTKOHTSBKRG-HNNXBMFYSA-N 0 1 278.396 2.878 20 30 CFEDMN CCC#C[C@H](C)N[C@H]1c2sccc2OC(C)(C)[C@@H]1O ZINC000930546516 649270722 /nfs/dbraw/zinc/27/07/22/649270722.db2.gz FWXMGUGBLZBYLT-VHRBIJSZSA-N 0 1 279.405 2.713 20 30 CFEDMN C[C@H](c1ccc(F)nc1)N(C)C[C@@H](O)c1cccc(C#N)c1 ZINC000930846334 649334766 /nfs/dbraw/zinc/33/47/66/649334766.db2.gz YYQBKLZVPFRLTO-MLGOLLRUSA-N 0 1 299.349 2.819 20 30 CFEDMN C#CCN(C[C@H]1CCC[C@H](C(F)(F)F)O1)C1CSC1 ZINC000930960208 649356540 /nfs/dbraw/zinc/35/65/40/649356540.db2.gz IEFFUOCRAVEZBF-VXGBXAGGSA-N 0 1 293.354 2.537 20 30 CFEDMN Cc1ncc(CN2CCC(Nc3ccccc3C#N)CC2)o1 ZINC000931034297 649368362 /nfs/dbraw/zinc/36/83/62/649368362.db2.gz YSXKAQPOJNDKDD-UHFFFAOYSA-N 0 1 296.374 2.931 20 30 CFEDMN C#CC1(O)CCN(CCSc2ccc(F)cc2F)CC1 ZINC000931151916 649387872 /nfs/dbraw/zinc/38/78/72/649387872.db2.gz ZTCCMOAKAFWXOD-UHFFFAOYSA-N 0 1 297.370 2.517 20 30 CFEDMN CCOC[C@H]1CN(CCCCC2(C#N)CCC2)CCO1 ZINC000931252099 649397189 /nfs/dbraw/zinc/39/71/89/649397189.db2.gz GGSQCJOIVLNYMG-OAHLLOKOSA-N 0 1 280.412 2.588 20 30 CFEDMN COC(=O)[C@@H]1CCCC[C@@H]1CN(C)[C@@H]1CCC[C@H]1C#N ZINC000931474822 649437197 /nfs/dbraw/zinc/43/71/97/649437197.db2.gz IRTFWAWRFIOMJT-GBJTYRQASA-N 0 1 278.396 2.590 20 30 CFEDMN CC[C@]1(O)CCCN(Cc2cc(Cl)cc(C#N)c2)C1 ZINC000931476076 649437684 /nfs/dbraw/zinc/43/76/84/649437684.db2.gz NEWNZAQYFQDPQZ-HNNXBMFYSA-N 0 1 278.783 2.949 20 30 CFEDMN C#CCCCCCCN1C2CCC1(C(=O)OC)CC2 ZINC000931476023 649437794 /nfs/dbraw/zinc/43/77/94/649437794.db2.gz YSIIOENTAAEQQQ-UHFFFAOYSA-N 0 1 263.381 2.740 20 30 CFEDMN CC(C)N1CCC[C@@H]1C(=O)Nc1ccc(F)c(C#N)c1 ZINC000931826754 649495611 /nfs/dbraw/zinc/49/56/11/649495611.db2.gz GOSLSDSQKSZPJB-CQSZACIVSA-N 0 1 275.327 2.509 20 30 CFEDMN C[C@H](CC#N)N(C)C(=O)c1cccc2[nH]c(C(F)F)nc21 ZINC000931942204 649517516 /nfs/dbraw/zinc/51/75/16/649517516.db2.gz UAQPRWGEEYSQSN-MRVPVSSYSA-N 0 1 292.289 2.875 20 30 CFEDMN Cc1cnn(CCCCCN2CCC[C@@H](C#N)C2)c1 ZINC000932156652 649552732 /nfs/dbraw/zinc/55/27/32/649552732.db2.gz LSWGYWSQBIVIBN-HNNXBMFYSA-N 0 1 260.385 2.597 20 30 CFEDMN C=CCN(CC=C)C(=O)[C@H](C)N[C@H](c1ccccn1)C1CC1 ZINC000932377202 649587656 /nfs/dbraw/zinc/58/76/56/649587656.db2.gz DNLKTYLLMHNMDW-YOEHRIQHSA-N 0 1 299.418 2.711 20 30 CFEDMN CC(C)[C@@H](C#N)NC(=O)c1ccc(CN2CCCCC2)o1 ZINC000932377300 649587852 /nfs/dbraw/zinc/58/78/52/649587852.db2.gz BAECQTYRDDCGMP-CQSZACIVSA-N 0 1 289.379 2.543 20 30 CFEDMN C#CC[N@H+](C[C@@H](C)C(=O)c1ccc([O-])cc1)C(C)C ZINC000932383105 649589251 /nfs/dbraw/zinc/58/92/51/649589251.db2.gz DVXHFGCEVHUTGA-CYBMUJFWSA-N 0 1 259.349 2.555 20 30 CFEDMN C#CC[N@@H+](C[C@@H](C)C(=O)c1ccc([O-])cc1)C(C)C ZINC000932383105 649589254 /nfs/dbraw/zinc/58/92/54/649589254.db2.gz DVXHFGCEVHUTGA-CYBMUJFWSA-N 0 1 259.349 2.555 20 30 CFEDMN C#CCN(CC(=O)N[C@@H](C)c1cccs1)C(C)(C)C ZINC000932466009 649605929 /nfs/dbraw/zinc/60/59/29/649605929.db2.gz QKEHPIZTCJRZNV-LBPRGKRZSA-N 0 1 278.421 2.659 20 30 CFEDMN N#Cc1ccc(F)c(CNC2([C@@H]3CCCCO3)CC2)c1 ZINC000933378661 649689868 /nfs/dbraw/zinc/68/98/68/649689868.db2.gz WDWIWKVFSJAMJG-HNNXBMFYSA-N 0 1 274.339 2.889 20 30 CFEDMN C[C@@H](NCc1ccc(C#N)o1)c1ccc2c(c1)CCO2 ZINC000933488213 649696875 /nfs/dbraw/zinc/69/68/75/649696875.db2.gz ZFKGCSLZSZJLCT-LLVKDONJSA-N 0 1 268.316 2.937 20 30 CFEDMN N#Cc1ccc([C@H]2CN(C3CCCC3)CCO2)cc1 ZINC000933629580 649708398 /nfs/dbraw/zinc/70/83/98/649708398.db2.gz PXIFIAWBKHXYPL-MRXNPFEDSA-N 0 1 256.349 2.874 20 30 CFEDMN C[C@]12CN(Cc3nc(C#N)cs3)C[C@H]1[C@H]1C=C[C@@H]2C1 ZINC000933704242 649715530 /nfs/dbraw/zinc/71/55/30/649715530.db2.gz VDQLHHDLEAPWLH-YODMDTAWSA-N 0 1 271.389 2.659 20 30 CFEDMN CN(Cc1cc(C#N)cs1)Cc1ccc2c(c1)nnn2C ZINC000933776122 649721177 /nfs/dbraw/zinc/72/11/77/649721177.db2.gz YQWSXNPMCNYZIG-UHFFFAOYSA-N 0 1 297.387 2.533 20 30 CFEDMN N#Cc1ccc([C@@H](O)CN(Cc2ccoc2)C2CC2)cc1 ZINC000934003606 649740623 /nfs/dbraw/zinc/74/06/23/649740623.db2.gz BUUYQRMUYLGRQS-KRWDZBQOSA-N 0 1 282.343 2.849 20 30 CFEDMN C=CC[C@H]1CCN1Cc1ccc(C(=O)OC)cc1F ZINC000934466342 649789282 /nfs/dbraw/zinc/78/92/82/649789282.db2.gz ZQMYMPLNGMXCCE-ZDUSSCGKSA-N 0 1 263.312 2.763 20 30 CFEDMN C=CC[C@@H]1CCN1[C@H](C)C(=O)N1CCc2sccc2C1 ZINC000934469942 649790363 /nfs/dbraw/zinc/79/03/63/649790363.db2.gz KLHZJLVWBAGYCB-TZMCWYRMSA-N 0 1 290.432 2.672 20 30 CFEDMN C=CC[C@H]1CCN1CC(=O)NCCc1ccc(Cl)cc1 ZINC000934472837 649791525 /nfs/dbraw/zinc/79/15/25/649791525.db2.gz UEVHIQGTLLPKMI-HNNXBMFYSA-N 0 1 292.810 2.649 20 30 CFEDMN C[C@@]1(C2CC2)COCCN1Cc1ccc(OCC#N)cc1 ZINC000934481284 649793140 /nfs/dbraw/zinc/79/31/40/649793140.db2.gz GMZQDBDCONBCNB-KRWDZBQOSA-N 0 1 286.375 2.590 20 30 CFEDMN C=CCCCN(CC)Cc1nc(-c2ccccn2)no1 ZINC000934648521 649811893 /nfs/dbraw/zinc/81/18/93/649811893.db2.gz AXHHQABENSKIEW-UHFFFAOYSA-N 0 1 272.352 2.920 20 30 CFEDMN C=CCCN1C[C@H]2CC[C@@H](C1)N2C(=O)c1oc(C)cc1C ZINC001017457264 651070770 /nfs/dbraw/zinc/07/07/70/651070770.db2.gz XWMFXVHYYJNXDB-GASCZTMLSA-N 0 1 288.391 2.761 20 30 CFEDMN Oc1ccc(C=Nn2c(=S)[nH]nc2-c2ccco2)cc1 ZINC000254289265 651083108 /nfs/dbraw/zinc/08/31/08/651083108.db2.gz GTIFTJLMNRGJIQ-UHFFFAOYSA-N 0 1 286.316 2.788 20 30 CFEDMN Cc1nc2ccccn2c1C=NNc1nc2ccccc2[nH]1 ZINC000254700955 651093770 /nfs/dbraw/zinc/09/37/70/651093770.db2.gz KFMWBEYMOCBUKP-UHFFFAOYSA-N 0 1 290.330 2.965 20 30 CFEDMN CC#CCN1CCC[C@H](NC(=O)CC2CCCCC2)C1 ZINC001006669961 651128376 /nfs/dbraw/zinc/12/83/76/651128376.db2.gz WOSWZXNVLQFCCF-INIZCTEOSA-N 0 1 276.424 2.561 20 30 CFEDMN C=C(C)CN1CCC[C@@H](NC(=O)C2C(C)(C)C2(C)C)C1 ZINC001007028627 651130830 /nfs/dbraw/zinc/13/08/30/651130830.db2.gz QECBHPPCORHTKP-CYBMUJFWSA-N 0 1 278.440 2.825 20 30 CFEDMN C=C(C)C[N@H+]1CCC[C@H](NC(=O)c2cc(F)ccc2F)C1 ZINC001007504488 651135841 /nfs/dbraw/zinc/13/58/41/651135841.db2.gz XTYDDYXEDKYGOS-ZDUSSCGKSA-N 0 1 294.345 2.735 20 30 CFEDMN C=C(C)CN1CCC[C@H](NC(=O)c2cc(F)ccc2F)C1 ZINC001007504488 651135843 /nfs/dbraw/zinc/13/58/43/651135843.db2.gz XTYDDYXEDKYGOS-ZDUSSCGKSA-N 0 1 294.345 2.735 20 30 CFEDMN C=C(C)C[N@H+]1CCC[C@H](NC(=O)c2ccc(F)c(F)c2)C1 ZINC001007497699 651136029 /nfs/dbraw/zinc/13/60/29/651136029.db2.gz FLMIOWWMIUEWSF-ZDUSSCGKSA-N 0 1 294.345 2.735 20 30 CFEDMN C=C(C)CN1CCC[C@H](NC(=O)c2ccc(F)c(F)c2)C1 ZINC001007497699 651136030 /nfs/dbraw/zinc/13/60/30/651136030.db2.gz FLMIOWWMIUEWSF-ZDUSSCGKSA-N 0 1 294.345 2.735 20 30 CFEDMN C#CCCN1CCC[C@@H](NC(=O)c2cscc2Cl)C1 ZINC001007564445 651136520 /nfs/dbraw/zinc/13/65/20/651136520.db2.gz ZRJPDXGTRPLJTH-LLVKDONJSA-N 0 1 296.823 2.619 20 30 CFEDMN C=C(C)CN1CCC[C@@H](NC(=O)[C@@H]2CCCC23CC3)C1 ZINC001007619377 651137054 /nfs/dbraw/zinc/13/70/54/651137054.db2.gz RCUJSVAACWZNSE-CABCVRRESA-N 0 1 276.424 2.723 20 30 CFEDMN C=CCN1CCC[C@H](NC(=O)c2cc3ccc(C)cc3[nH]2)C1 ZINC001008084366 651141727 /nfs/dbraw/zinc/14/17/27/651141727.db2.gz ADXSBKGMCQRAER-HNNXBMFYSA-N 0 1 297.402 2.857 20 30 CFEDMN C=CCN1CCC[C@H](NC(=O)c2cc3cc(C)ccc3[nH]2)C1 ZINC001008138016 651142596 /nfs/dbraw/zinc/14/25/96/651142596.db2.gz JAZDSHQXSMHDPM-HNNXBMFYSA-N 0 1 297.402 2.857 20 30 CFEDMN C=CCN1CCC[C@H](NC(=O)c2cc3ccsc3[nH]2)C1 ZINC001008114960 651143056 /nfs/dbraw/zinc/14/30/56/651143056.db2.gz IBLJXZUOIADASV-LBPRGKRZSA-N 0 1 289.404 2.610 20 30 CFEDMN C=CCN1CCC[C@@H](NC(=O)c2c(C)cc(F)cc2C)C1 ZINC001008154500 651143077 /nfs/dbraw/zinc/14/30/77/651143077.db2.gz XUDAANOBSOCVEE-OAHLLOKOSA-N 0 1 290.382 2.823 20 30 CFEDMN C=C(C)CN1CCC[C@@H](NC(=O)C(C)(C)C2CC2)C1 ZINC001008247111 651145014 /nfs/dbraw/zinc/14/50/14/651145014.db2.gz ATQYBHADAROFMH-CQSZACIVSA-N 0 1 264.413 2.579 20 30 CFEDMN C=C(C)CN1CCC[C@H](NC(=O)c2ccoc2C2CC2)C1 ZINC001008316511 651146293 /nfs/dbraw/zinc/14/62/93/651146293.db2.gz IWTWPRMULOHJKJ-AWEZNQCLSA-N 0 1 288.391 2.927 20 30 CFEDMN C=CCN1CCC[C@@H](NC(=O)c2cc(F)cc(Cl)c2)C1 ZINC001008652706 651151580 /nfs/dbraw/zinc/15/15/80/651151580.db2.gz MYHPEBQOLTUUMZ-CQSZACIVSA-N 0 1 296.773 2.859 20 30 CFEDMN CC#CCN1CCC[C@H](NC(=O)CC2CCCCCC2)C1 ZINC001008686276 651152432 /nfs/dbraw/zinc/15/24/32/651152432.db2.gz BDYBFRICQJVCOS-KRWDZBQOSA-N 0 1 290.451 2.951 20 30 CFEDMN C=CCN1CCC[C@H](NC(=O)[C@H]2C[C@@H]2c2ccccc2)C1 ZINC001008789238 651153649 /nfs/dbraw/zinc/15/36/49/651153649.db2.gz JURSFVHDKDLJHN-BBWFWOEESA-N 0 1 284.403 2.557 20 30 CFEDMN C=C(C)CN1CCC[C@H](NC(=O)[C@H](C)c2ccc(C)o2)C1 ZINC001008788340 651153798 /nfs/dbraw/zinc/15/37/98/651153798.db2.gz HJWUZSGADVHLMJ-CABCVRRESA-N 0 1 290.407 2.848 20 30 CFEDMN C=C(C)CN1CCC[C@@H](NC(=O)[C@@H]2C[C@H]2C2CCC2)C1 ZINC001008819616 651154205 /nfs/dbraw/zinc/15/42/05/651154205.db2.gz LQKGLISNESNVCF-OWCLPIDISA-N 0 1 276.424 2.579 20 30 CFEDMN C=CCN1CCC[C@H](NC(=O)c2cccc3c2ccn3C)C1 ZINC001008877628 651154425 /nfs/dbraw/zinc/15/44/25/651154425.db2.gz SRAOCAJEXVJHDF-AWEZNQCLSA-N 0 1 297.402 2.559 20 30 CFEDMN C=CCN1CCC[C@@H](NC(=O)c2ccc3cnccc3c2)C1 ZINC001009110695 651156051 /nfs/dbraw/zinc/15/60/51/651156051.db2.gz RENNSDRSXUSQOE-QGZVFWFLSA-N 0 1 295.386 2.615 20 30 CFEDMN C=C(C)CN1CCC[C@@H](NC(=O)c2ccc(C(F)F)o2)C1 ZINC001009372089 651159090 /nfs/dbraw/zinc/15/90/90/651159090.db2.gz QBDQBMKDEJJNEA-LLVKDONJSA-N 0 1 298.333 2.988 20 30 CFEDMN C=CCN1CCC[C@@H](NC(=O)[C@@]2(C)CCc3ccccc32)C1 ZINC001009692973 651163029 /nfs/dbraw/zinc/16/30/29/651163029.db2.gz UEINNVNSABUEOH-APWZRJJASA-N 0 1 298.430 2.657 20 30 CFEDMN C=C(C)CN1CCC[C@@H](NC(=O)[C@H]2CC3CCC2CC3)C1 ZINC001009653541 651163239 /nfs/dbraw/zinc/16/32/39/651163239.db2.gz YJSWPIDEWYVOHA-BACDZXNISA-N 0 1 290.451 2.969 20 30 CFEDMN C=CCN1CC[C@H](NC(=O)c2cc3ccccc3nc2C)C1 ZINC001014620671 651189541 /nfs/dbraw/zinc/18/95/41/651189541.db2.gz UZRNUOUKYHBQJO-HNNXBMFYSA-N 0 1 295.386 2.533 20 30 CFEDMN C=C(C)CN1CC[C@H](NC(=O)c2cc(F)c(C)cc2F)C1 ZINC001014827357 651192309 /nfs/dbraw/zinc/19/23/09/651192309.db2.gz ONQOMKCPLXVODK-LBPRGKRZSA-N 0 1 294.345 2.653 20 30 CFEDMN C=CCN1CC[C@@H](NC(=O)C2(C)CCC(F)(F)CC2)C1 ZINC001014991406 651194718 /nfs/dbraw/zinc/19/47/18/651194718.db2.gz RIXDBKLGAJICBI-GFCCVEGCSA-N 0 1 286.366 2.579 20 30 CFEDMN C=CCN1CC[C@H](NC(=O)Cc2ccc(C(F)F)cc2)C1 ZINC001015246598 651197930 /nfs/dbraw/zinc/19/79/30/651197930.db2.gz LPAJNSIORQNBPB-AWEZNQCLSA-N 0 1 294.345 2.543 20 30 CFEDMN C=CCN1CC[C@H](NC(=O)Cc2ccc(C3CCC3)cc2)C1 ZINC001015416347 651200791 /nfs/dbraw/zinc/20/07/91/651200791.db2.gz ADEDCTCPOXCUHD-SFHVURJKSA-N 0 1 298.430 2.873 20 30 CFEDMN C=C(C)CN1CC[C@@H](NC(=O)c2cc(F)cc(Cl)c2)C1 ZINC001015747341 651212238 /nfs/dbraw/zinc/21/22/38/651212238.db2.gz PCFMOFUGGYXOHU-CQSZACIVSA-N 0 1 296.773 2.859 20 30 CFEDMN C=CCN1CC[C@H](NC(=O)[C@]2(C)CCCc3ccccc32)C1 ZINC001015856742 651216494 /nfs/dbraw/zinc/21/64/94/651216494.db2.gz XJSYPHGJELIWLN-QFBILLFUSA-N 0 1 298.430 2.657 20 30 CFEDMN C=C(C)CN1CC[C@H](NC(=O)c2ccc3cccnc3c2)C1 ZINC001015870325 651216559 /nfs/dbraw/zinc/21/65/59/651216559.db2.gz BXHYUOYWCDTGQT-INIZCTEOSA-N 0 1 295.386 2.615 20 30 CFEDMN C=CCN1CC[C@H](NC(=O)c2ccc3c(c2)CCC=C3)C1 ZINC001016007094 651220721 /nfs/dbraw/zinc/22/07/21/651220721.db2.gz MTTXNSRQTCZRBN-KRWDZBQOSA-N 0 1 282.387 2.636 20 30 CFEDMN C=C(C)CN1CC[C@H](NC(=O)c2ccc(F)cc2C)C1 ZINC001016047365 651222129 /nfs/dbraw/zinc/22/21/29/651222129.db2.gz VNXJYHANVYNSIK-AWEZNQCLSA-N 0 1 276.355 2.514 20 30 CFEDMN CC#CCN1CC[C@@H](NC(=O)c2cccc3ccccc32)C1 ZINC001016166362 651226736 /nfs/dbraw/zinc/22/67/36/651226736.db2.gz YWYHHIFUELLEQT-MRXNPFEDSA-N 0 1 292.382 2.667 20 30 CFEDMN C=CCN1CC[C@@H](NC(=O)c2c[nH]c3c2cccc3CC)C1 ZINC001016340947 651230648 /nfs/dbraw/zinc/23/06/48/651230648.db2.gz GRNBEOVKTUOSAJ-CQSZACIVSA-N 0 1 297.402 2.720 20 30 CFEDMN C=CCN1CC[C@@H](NC(=O)[C@@H]2CCCCC2(C)C)C1 ZINC001016361333 651231352 /nfs/dbraw/zinc/23/13/52/651231352.db2.gz YNCAOTMJXRSOFO-KGLIPLIRSA-N 0 1 264.413 2.579 20 30 CFEDMN C=CCN1CC[C@@H](NC(=O)c2ccccc2CC(C)C)C1 ZINC001016374384 651232486 /nfs/dbraw/zinc/23/24/86/651232486.db2.gz IAEYKSCZKDSODU-MRXNPFEDSA-N 0 1 286.419 2.875 20 30 CFEDMN CC#CCN1CC[C@@H](NC(=O)C[C@H]2CCCCC2(C)C)C1 ZINC001016422645 651233713 /nfs/dbraw/zinc/23/37/13/651233713.db2.gz AGXCYAMTEAZTQY-HZPDHXFCSA-N 0 1 290.451 2.807 20 30 CFEDMN CCC(=O)N1CCC[C@@H](CN(C)Cc2ccccc2C#N)C1 ZINC001017012279 651243959 /nfs/dbraw/zinc/24/39/59/651243959.db2.gz SJVLZADLZOWRNS-HNNXBMFYSA-N 0 1 299.418 2.639 20 30 CFEDMN C#CCCN1C[C@H]2CC[C@@H](C1)N2C(=O)CC1(C)CCCC1 ZINC001017530761 651253484 /nfs/dbraw/zinc/25/34/84/651253484.db2.gz WZMZYVPKOGAGBC-IYBDPMFKSA-N 0 1 288.435 2.655 20 30 CFEDMN C#CCCN1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1CCC[C@H]1CC ZINC001017902024 651260885 /nfs/dbraw/zinc/26/08/85/651260885.db2.gz IIZNCAPLKLGZQH-WCXIOVBPSA-N 0 1 288.435 2.511 20 30 CFEDMN C=CCCN1C[C@H]2CC[C@@H](C1)N2C(=O)C1(C)CC(=C)C1 ZINC001017920105 651261648 /nfs/dbraw/zinc/26/16/48/651261648.db2.gz OIQXKGJKGNEEAD-GASCZTMLSA-N 0 1 274.408 2.594 20 30 CFEDMN C=CCCN1C[C@H]2CC[C@@H](C1)N2C(=O)C1(C(C)(F)F)CC1 ZINC001017956214 651262491 /nfs/dbraw/zinc/26/24/91/651262491.db2.gz APCAWUZAMPOIOI-BETUJISGSA-N 0 1 298.377 2.673 20 30 CFEDMN C=C(Cl)CN[C@H]1CCN(C(=O)C2CCCCC2)C1 ZINC001018430624 651271609 /nfs/dbraw/zinc/27/16/09/651271609.db2.gz PAULVNTYAUGTAS-ZDUSSCGKSA-N 0 1 270.804 2.510 20 30 CFEDMN C=C(Cl)CN[C@H]1CCN(C(=O)c2ccc(C)c(C)c2)C1 ZINC001019731743 651290399 /nfs/dbraw/zinc/29/03/99/651290399.db2.gz UXODRXGPEJLXQR-HNNXBMFYSA-N 0 1 292.810 2.860 20 30 CFEDMN C=C(Cl)CN[C@H]1CCN(C(=O)c2cccc(C)c2C)C1 ZINC001019726119 651290423 /nfs/dbraw/zinc/29/04/23/651290423.db2.gz XTYVNPSUDHTXDE-AWEZNQCLSA-N 0 1 292.810 2.860 20 30 CFEDMN C=C(Cl)CN[C@H]1CCN(C(=O)CCc2cccs2)C1 ZINC001019757237 651291133 /nfs/dbraw/zinc/29/11/33/651291133.db2.gz HSOVMTPQNRGYOK-LBPRGKRZSA-N 0 1 298.839 2.624 20 30 CFEDMN C=C(Cl)CN[C@H]1CCN(C(=O)c2c(C)cccc2F)C1 ZINC001019878637 651293375 /nfs/dbraw/zinc/29/33/75/651293375.db2.gz VPUUGMFMYBFILH-LBPRGKRZSA-N 0 1 296.773 2.691 20 30 CFEDMN C=C(C)C[N@@H+]1CC[C@@H]1CN(C)C(=O)[C@@H]1C[C@H]1C1CCC1 ZINC001085867835 782191011 /nfs/dbraw/zinc/19/10/11/782191011.db2.gz XBZLFHUMJUFAIJ-OWCLPIDISA-N 0 1 276.424 2.531 20 30 CFEDMN C=C(C)CN1CC[C@@H]1CN(C)C(=O)[C@@H]1C[C@H]1C1CCC1 ZINC001085867835 782191016 /nfs/dbraw/zinc/19/10/16/782191016.db2.gz XBZLFHUMJUFAIJ-OWCLPIDISA-N 0 1 276.424 2.531 20 30 CFEDMN Cc1nc(N2C[C@H](C)N(C)C[C@@H]2C)c(C#N)c(C)c1Cl ZINC001164629730 719156143 /nfs/dbraw/zinc/15/61/43/719156143.db2.gz CVIDWZBOYNDOEM-UWVGGRQHSA-N 0 1 292.814 2.752 20 30 CFEDMN C=CCCC(=O)N[C@@H]1CCCN(CC(=C)Cl)CC1 ZINC001273401656 782271684 /nfs/dbraw/zinc/27/16/84/782271684.db2.gz XAWUEPPBZWHEOD-CYBMUJFWSA-N 0 1 270.804 2.676 20 30 CFEDMN N#Cc1cc(-c2cc(F)c(O)cc2F)cnc1F ZINC001211353586 770489148 /nfs/dbraw/zinc/48/91/48/770489148.db2.gz XXHPCDTXLQYUIL-UHFFFAOYSA-N 0 1 250.179 2.743 20 30 CFEDMN CC#C[C@H](CC)Oc1[nH]c(=O)nc2cccc(OC)c21 ZINC001229243799 776762990 /nfs/dbraw/zinc/76/29/90/776762990.db2.gz XDPCKXJRHMYGMR-JTQLQIEISA-N 0 1 272.304 2.525 20 30 CFEDMN CN[C@@H]1CCN1Cc1ccc(C#Cc2ccccc2)s1 ZINC001236166543 778721835 /nfs/dbraw/zinc/72/18/35/778721835.db2.gz GVRZIJDBNXFYHR-KRWDZBQOSA-N 0 1 282.412 2.899 20 30 CFEDMN COc1cncc(-c2nccc3[nH]cc(C#N)c32)c1C ZINC001236370836 778795575 /nfs/dbraw/zinc/79/55/75/778795575.db2.gz NATKROKNYNOWFK-UHFFFAOYSA-N 0 1 264.288 2.814 20 30 CFEDMN C=CCN1CC[C@@H](N(CC)C(=O)c2cc3cnccc3o2)C1 ZINC001033883025 780818687 /nfs/dbraw/zinc/81/86/87/780818687.db2.gz AUALOCKIFZQXHV-CQSZACIVSA-N 0 1 299.374 2.550 20 30 CFEDMN C=CCN1CC[C@H](N(CC)C(=O)[C@@H]2C[C@H]2c2ccccc2)C1 ZINC001034011978 780854854 /nfs/dbraw/zinc/85/48/54/780854854.db2.gz BDGUUROTQGSSAP-OKZBNKHCSA-N 0 1 298.430 2.899 20 30 CFEDMN C#CCN1CC[C@H](N(CC)C(=O)c2cccc(C3CC3)c2)C1 ZINC001034050301 780868202 /nfs/dbraw/zinc/86/82/02/780868202.db2.gz IZLHXHMXFMGEEO-SFHVURJKSA-N 0 1 296.414 2.734 20 30 CFEDMN C=C(C)CN1CC[C@H]1CNC(=O)[C@@H]1CCCC(C)(C)C1 ZINC001039054735 769963007 /nfs/dbraw/zinc/96/30/07/769963007.db2.gz WELMKHZQHKMYMD-CABCVRRESA-N 0 1 278.440 2.969 20 30 CFEDMN CC#CCN(C)CCNC(=O)CC[C@@H](C)c1ccccc1 ZINC001266332280 769973011 /nfs/dbraw/zinc/97/30/11/769973011.db2.gz JGPYUWQSDJMDDF-MRXNPFEDSA-N 0 1 286.419 2.642 20 30 CFEDMN C=C(C)C(C)(C)C(=O)N[C@@H]1CCN(CCC(F)(F)F)C1 ZINC001266333440 769976047 /nfs/dbraw/zinc/97/60/47/769976047.db2.gz NCRDRYAIYUSWGI-LLVKDONJSA-N 0 1 292.345 2.732 20 30 CFEDMN C=CCN1CC[C@H](NC(=O)CCCc2ccc(C)cc2)C1 ZINC001266339658 769983133 /nfs/dbraw/zinc/98/31/33/769983133.db2.gz VEJUAEQDEHLGSU-KRWDZBQOSA-N 0 1 286.419 2.694 20 30 CFEDMN N#C[C@H]1CN(CCc2ccc(Cl)cc2Cl)CCC1=O ZINC001209081156 769993932 /nfs/dbraw/zinc/99/39/32/769993932.db2.gz KQZFVAQXLBTDMW-NSHDSACASA-N 0 1 297.185 2.950 20 30 CFEDMN C=CCN1CC[C@@H](NC(=O)CCCCCC(C)C)C1 ZINC001266345306 769994871 /nfs/dbraw/zinc/99/48/71/769994871.db2.gz RBUGNQJHDRFYBI-OAHLLOKOSA-N 0 1 266.429 2.969 20 30 CFEDMN C=CCCCN1CCO[C@@H](CCNC(=O)OC(C)(C)C)C1 ZINC001209156660 770005455 /nfs/dbraw/zinc/00/54/55/770005455.db2.gz GRRSCTYFNNQKCN-AWEZNQCLSA-N 0 1 298.427 2.568 20 30 CFEDMN C=CCCCCCCN1CCN(C(=O)OC)CC1 ZINC001209430907 770083172 /nfs/dbraw/zinc/08/31/72/770083172.db2.gz DMLVDWNPMVAQOA-UHFFFAOYSA-N 0 1 254.374 2.507 20 30 CFEDMN CC#CCN1CC([C@H](C)NC(=O)[C@H](CC)CCCC)C1 ZINC001282690513 770091097 /nfs/dbraw/zinc/09/10/97/770091097.db2.gz UBYQRARAOODYMR-LSDHHAIUSA-N 0 1 278.440 2.663 20 30 CFEDMN CC#CCN(CC)CCNC(=O)C1(C)CCC(C)CC1 ZINC001266440462 770158626 /nfs/dbraw/zinc/15/86/26/770158626.db2.gz UCWVTRAXESLQHI-UHFFFAOYSA-N 0 1 278.440 2.664 20 30 CFEDMN C#CCCN1C[C@H]2CC[C@@H](C1)N2C(=O)[C@H](CC)CCCC ZINC001266478420 770196217 /nfs/dbraw/zinc/19/62/17/770196217.db2.gz MYVOVSWTEMUSRR-ZACQAIPSSA-N 0 1 290.451 2.901 20 30 CFEDMN CC[C@H]1OC(C)=C(OCCOCc2ccccc2)C1=O ZINC001210518063 770303548 /nfs/dbraw/zinc/30/35/48/770303548.db2.gz VPFKACHJHPDYIS-CQSZACIVSA-N 0 1 276.332 2.829 20 30 CFEDMN C=C(C)C[N@H+](CCNC(=O)C1(CC)CCC1)C1CC1 ZINC001266606746 770415130 /nfs/dbraw/zinc/41/51/30/770415130.db2.gz CBRNCBHOQUCQAV-UHFFFAOYSA-N 0 1 264.413 2.723 20 30 CFEDMN C=CCN1CC[C@H]2CC[C@@H](C1)N2C(=O)c1ccc(C)s1 ZINC001039323571 770491999 /nfs/dbraw/zinc/49/19/99/770491999.db2.gz OUMOXWYPYSVGBR-KGLIPLIRSA-N 0 1 290.432 2.921 20 30 CFEDMN CCC(=CC(=O)N(C)CCNCC#Cc1ccccc1)CC ZINC001266673449 770516124 /nfs/dbraw/zinc/51/61/24/770516124.db2.gz OHOVIXJEVNEMRR-UHFFFAOYSA-N 0 1 298.430 2.833 20 30 CFEDMN C#CC1CCN(C(=O)c2ccc(O)c(Cl)c2)CC1 ZINC000692317615 770580667 /nfs/dbraw/zinc/58/06/67/770580667.db2.gz ZSYRECSIGXAXOX-UHFFFAOYSA-N 0 1 263.724 2.531 20 30 CFEDMN C=C(Cl)CNCCN(C)C(=O)[C@H]1CCC[C@@H](C)C1 ZINC001266820326 770644985 /nfs/dbraw/zinc/64/49/85/770644985.db2.gz UXDIMXDNXOZSLR-YPMHNXCESA-N 0 1 272.820 2.613 20 30 CFEDMN C=C[C@H](CC)CC(=O)NC[C@H](C)NCC#Cc1ccccc1 ZINC001266964921 770774347 /nfs/dbraw/zinc/77/43/47/770774347.db2.gz SBNAAGPVQIENJY-DLBZAZTESA-N 0 1 298.430 2.735 20 30 CFEDMN CC/C=C(/C)C(=O)N1CC[C@H](NCc2ccccc2C#N)C1 ZINC001267005646 770800687 /nfs/dbraw/zinc/80/06/87/770800687.db2.gz OZRHIEIZAPZEDY-ZRBJYGNNSA-N 0 1 297.402 2.605 20 30 CFEDMN C=CC(C)(C)C(=O)N1CCC[C@@H](N(C)C/C=C/Cl)C1 ZINC001267109987 770909978 /nfs/dbraw/zinc/90/99/78/770909978.db2.gz ZYXPYDZVBMUIHT-BUUCAEBMSA-N 0 1 284.831 2.874 20 30 CFEDMN COc1ccc(C(=O)/C=C\c2c(Cl)cnn2C)c(O)c1 ZINC000588535201 770950330 /nfs/dbraw/zinc/95/03/30/770950330.db2.gz UNSSAPZCKXYADI-WAYWQWQTSA-N 0 1 292.722 2.684 20 30 CFEDMN Cc1ccc(C(=O)/C=C\c2c(Cl)cnn2C)c(O)c1 ZINC000588535023 770950757 /nfs/dbraw/zinc/95/07/57/770950757.db2.gz JPADKKYDTXDRJR-WAYWQWQTSA-N 0 1 276.723 2.984 20 30 CFEDMN CSc1nn(-c2ccnc(C(C)(C)C)c2)c(N)c1C#N ZINC001213162964 770957655 /nfs/dbraw/zinc/95/76/55/770957655.db2.gz OWSSKOWCCGZMPH-UHFFFAOYSA-N 0 1 287.392 2.741 20 30 CFEDMN C=C(C)CCC(=O)NCCN(CC)Cc1ncccc1C ZINC001267242456 773252230 /nfs/dbraw/zinc/25/22/30/773252230.db2.gz MGMPXELGTLOKOK-UHFFFAOYSA-N 0 1 289.423 2.684 20 30 CFEDMN C=C1O[C@H](CC)C(=O)C1OCc1cc(C)nc(OC)c1 ZINC001224116720 775104647 /nfs/dbraw/zinc/10/46/47/775104647.db2.gz ASPCGTAENUXTIJ-GFCCVEGCSA-N 0 1 277.320 2.525 20 30 CFEDMN COC[C@H]1CCCCN1Cc1cc(F)cc(C#N)c1 ZINC000307766130 775114772 /nfs/dbraw/zinc/11/47/72/775114772.db2.gz DGPKASVBEKXQPZ-OAHLLOKOSA-N 0 1 262.328 2.698 20 30 CFEDMN CC[C@@H]1OC(C)=C(OCCOc2ccc(C#N)cc2)C1=O ZINC001224285991 775145100 /nfs/dbraw/zinc/14/51/00/775145100.db2.gz HHPKESPKECHKHV-AWEZNQCLSA-N 0 1 287.315 2.563 20 30 CFEDMN CC[C@@H]1OC(C)=C(OCCOc2cccc(C#N)c2)C1=O ZINC001224313116 775153131 /nfs/dbraw/zinc/15/31/31/775153131.db2.gz ZFIBSFGZCFQNQU-AWEZNQCLSA-N 0 1 287.315 2.563 20 30 CFEDMN C=CCC1(C(=O)NCC2CCN(CCF)CC2)CCC1 ZINC001224402326 775174483 /nfs/dbraw/zinc/17/44/83/775174483.db2.gz FHPMONLVYOWSFE-UHFFFAOYSA-N 0 1 282.403 2.531 20 30 CFEDMN CC[C@@H]1OC(C)=C(OCCOc2ccc(OC)cc2)C1=O ZINC001224414763 775180128 /nfs/dbraw/zinc/18/01/28/775180128.db2.gz XLXRQIGGEFFGQO-AWEZNQCLSA-N 0 1 292.331 2.700 20 30 CFEDMN C=C(C)CN1CC[C@H]1CNC(=O)[C@H](C)Cc1ccccc1 ZINC001276977377 775209540 /nfs/dbraw/zinc/20/95/40/775209540.db2.gz HSQQUQZMAAGVQC-WBVHZDCISA-N 0 1 286.419 2.632 20 30 CFEDMN C=C1O[C@H](CC)C(=O)C1OCCCCCCOC(C)=O ZINC001224575132 775222667 /nfs/dbraw/zinc/22/26/67/775222667.db2.gz OOLRJEPAAJKZFG-CYBMUJFWSA-N 0 1 284.352 2.736 20 30 CFEDMN CCCCCCCO[C@@H]1C[C@@H]2CC(=O)C[C@H]1[N@H+]2C ZINC001224617930 775227820 /nfs/dbraw/zinc/22/78/20/775227820.db2.gz YWYFIUROPVNCPG-NWANDNLSSA-N 0 1 253.386 2.778 20 30 CFEDMN C#CCN[C@@H](CNC(=O)c1ccoc1CC)c1ccccc1 ZINC001267357522 775244802 /nfs/dbraw/zinc/24/48/02/775244802.db2.gz PAADWKYNYFWZDQ-INIZCTEOSA-N 0 1 296.370 2.536 20 30 CFEDMN COc1cccc([C@H](C)NCc2cncc(C#N)c2)c1 ZINC000721571793 775255374 /nfs/dbraw/zinc/25/53/74/775255374.db2.gz JLTXDKKONLICFN-LBPRGKRZSA-N 0 1 267.332 2.813 20 30 CFEDMN C[C@@H](c1ccccn1)N1CCC[C@H](OCC2(C#N)CC2)C1 ZINC001224948781 775314650 /nfs/dbraw/zinc/31/46/50/775314650.db2.gz RSODOALCQZGQDB-GJZGRUSLSA-N 0 1 285.391 2.927 20 30 CFEDMN C=CCC(C)(C)C(=O)N1C[C@H]2CC[C@@H](C1)N2CCCF ZINC001267428502 775322701 /nfs/dbraw/zinc/32/27/01/775322701.db2.gz RERTWFDPMKBYJD-OKILXGFUSA-N 0 1 282.403 2.624 20 30 CFEDMN C=CCN1CC[C@H](N(CCC)C(=O)[C@@H](CC)SC)C1 ZINC001267453322 775330895 /nfs/dbraw/zinc/33/08/95/775330895.db2.gz BREPSEVLTPSGAP-UONOGXRCSA-N 0 1 284.469 2.627 20 30 CFEDMN C=CCN1CC[C@@H](N(CCC)C(=O)c2ccc(C)o2)C1 ZINC001267451419 775330989 /nfs/dbraw/zinc/33/09/89/775330989.db2.gz ZXLJGGGJGPMVAQ-CQSZACIVSA-N 0 1 276.380 2.701 20 30 CFEDMN C=CCN1CC[C@@H](N(CCC)C(=O)c2ccncc2C)C1 ZINC001267460663 775341157 /nfs/dbraw/zinc/34/11/57/775341157.db2.gz XMMAPVCWKOSOFE-OAHLLOKOSA-N 0 1 287.407 2.503 20 30 CFEDMN C=C(Cl)CNC1(CNC(=O)C=C2CCCCC2)CC1 ZINC001277013126 775346514 /nfs/dbraw/zinc/34/65/14/775346514.db2.gz CMMUTDYMZLOHFF-UHFFFAOYSA-N 0 1 282.815 2.868 20 30 CFEDMN CCC(=O)Nc1cc(NCCc2ccc(C#N)cc2)ccn1 ZINC001167682688 775352178 /nfs/dbraw/zinc/35/21/78/775352178.db2.gz NTBQJTVVUPBTHG-UHFFFAOYSA-N 0 1 294.358 2.956 20 30 CFEDMN C=CCN1CC[C@H](N(CCC)C(=O)[C@@H]2C[C@H]2CCC)C1 ZINC001267481615 775380099 /nfs/dbraw/zinc/38/00/99/775380099.db2.gz JMYQWNROBWMIDX-OWCLPIDISA-N 0 1 278.440 2.922 20 30 CFEDMN C=C(Cl)CN1CC[C@H](CCNC(=O)/C(C)=C\C)C1 ZINC001267513395 775406884 /nfs/dbraw/zinc/40/68/84/775406884.db2.gz JDYNUQBKXRTLIR-KPVYPLCOSA-N 0 1 270.804 2.533 20 30 CFEDMN CC#CCN[C@H](CNC(=O)C1=CCCC1)c1ccccc1 ZINC001267518303 775411919 /nfs/dbraw/zinc/41/19/19/775411919.db2.gz ZWBSCDRDNMIDKS-QGZVFWFLSA-N 0 1 282.387 2.567 20 30 CFEDMN C#CCN1CCCC[C@H]1CNC(=O)[C@H]1CCCCC1(C)C ZINC001024818547 775427899 /nfs/dbraw/zinc/42/78/99/775427899.db2.gz YJRMHZAMGZVQQJ-JKSUJKDBSA-N 0 1 290.451 2.807 20 30 CFEDMN C#CC[N@@H+]1CCCC[C@H]1CNC(=O)C1CCC(C)(C)CC1 ZINC001024820271 775428952 /nfs/dbraw/zinc/42/89/52/775428952.db2.gz XTKDOEMCJNGVJB-INIZCTEOSA-N 0 1 290.451 2.807 20 30 CFEDMN C#CCN1CCCC[C@H]1CNC(=O)C1CCC(C)(C)CC1 ZINC001024820271 775428958 /nfs/dbraw/zinc/42/89/58/775428958.db2.gz XTKDOEMCJNGVJB-INIZCTEOSA-N 0 1 290.451 2.807 20 30 CFEDMN CC#CCN1CCC[C@@H]1[C@H]1CCCCN1C(=O)C(C)(F)F ZINC001025196054 775567537 /nfs/dbraw/zinc/56/75/37/775567537.db2.gz QPOUGFNPGORNCS-ZIAGYGMSSA-N 0 1 298.377 2.510 20 30 CFEDMN CN1CCC[C@H](Oc2ccc(C#N)cc2Cl)C1 ZINC001225727150 775574924 /nfs/dbraw/zinc/57/49/24/775574924.db2.gz LPSPYULHSGRFIK-NSHDSACASA-N 0 1 250.729 2.685 20 30 CFEDMN C=C(Cl)CN1CCC[C@@H]([C@H](C)NC(=O)c2ccc[nH]2)C1 ZINC001025339053 775613229 /nfs/dbraw/zinc/61/32/29/775613229.db2.gz DCDXWGAEASTPGH-QWHCGFSZSA-N 0 1 295.814 2.598 20 30 CFEDMN C[C@@H](Oc1cccc2[nH]nnc21)c1ccccc1C#N ZINC001225993876 775661259 /nfs/dbraw/zinc/66/12/59/775661259.db2.gz ZRMIBHDHVAWTFW-SNVBAGLBSA-N 0 1 264.288 2.970 20 30 CFEDMN C=CCN1CCC[C@@H](NC(=O)C[C@@H](CC)C(C)C)C1 ZINC001267619913 775703185 /nfs/dbraw/zinc/70/31/85/775703185.db2.gz JTOINUJULLIEOA-HUUCEWRRSA-N 0 1 266.429 2.825 20 30 CFEDMN C#CC[N@@H+]1CCC[C@@H]([C@@H](C)NC(=O)c2cc(C)cc(C)c2)C1 ZINC001025606403 775707435 /nfs/dbraw/zinc/70/74/35/775707435.db2.gz FOFFERWFXJKOLT-IAGOWNOFSA-N 0 1 298.430 2.767 20 30 CFEDMN C=CCCCN1CC(NC(=O)CC2=CCCCC2)C1 ZINC001267642316 775730878 /nfs/dbraw/zinc/73/08/78/775730878.db2.gz BTNGGWJIQLIWET-UHFFFAOYSA-N 0 1 262.397 2.644 20 30 CFEDMN C=CCC[C@H](C)N1CC(NC(=O)CC[C@@H](C)CC)C1 ZINC001267662916 775761444 /nfs/dbraw/zinc/76/14/44/775761444.db2.gz DRMXGWIQCFONAU-KBPBESRZSA-N 0 1 266.429 2.968 20 30 CFEDMN C=C(C)CN1CC(CNC(=O)[C@H](C)c2cccc(C)c2)C1 ZINC001267693320 775782870 /nfs/dbraw/zinc/78/28/70/775782870.db2.gz ANUOZDRETKEWIP-OAHLLOKOSA-N 0 1 286.419 2.723 20 30 CFEDMN CC#C[C@@H](CC)Oc1[nH]c(=O)nc2ccc(F)cc21 ZINC001226407133 775809430 /nfs/dbraw/zinc/80/94/30/775809430.db2.gz KLXREVAWXLHMPW-SNVBAGLBSA-N 0 1 260.268 2.655 20 30 CFEDMN Cc1c(C#N)c(O[C@@H]2CCC[N@H+](C)C2)nc2ccccc12 ZINC001226444184 775824038 /nfs/dbraw/zinc/82/40/38/775824038.db2.gz FQRIGURPOJYCAE-CYBMUJFWSA-N 0 1 281.359 2.888 20 30 CFEDMN C#C[C@@H](CCCC)Oc1[nH]c(=O)nc2nc(Cl)ccc21 ZINC001226555725 775871775 /nfs/dbraw/zinc/87/17/75/775871775.db2.gz FYMRMRCDLMOFQO-VIFPVBQESA-N 0 1 291.738 2.955 20 30 CFEDMN C=CCN1CC[C@@H](NC(=O)C[C@@H](C)c2cccc(F)c2)C1 ZINC001267749773 775878121 /nfs/dbraw/zinc/87/81/21/775878121.db2.gz SWLPAJSVPQFFSM-CZUORRHYSA-N 0 1 290.382 2.696 20 30 CFEDMN N#Cc1cccc(OCCCN2CCC[C@H](F)C2)c1 ZINC000689879878 775908324 /nfs/dbraw/zinc/90/83/24/775908324.db2.gz CGUCFPYEBMWSAJ-AWEZNQCLSA-N 0 1 262.328 2.761 20 30 CFEDMN CC#CCN1CC[C@@H](N(CC)C(=O)CC2CCCCC2)C1 ZINC001267780777 775924344 /nfs/dbraw/zinc/92/43/44/775924344.db2.gz VHCFMVAFRKPYEF-QGZVFWFLSA-N 0 1 290.451 2.903 20 30 CFEDMN C=CCCCCCN1CCc2cc(C(=O)N(C)C)[nH]c2C1 ZINC001277150792 775937900 /nfs/dbraw/zinc/93/79/00/775937900.db2.gz FMUQWZHRUZPXQP-UHFFFAOYSA-N 0 1 289.423 2.821 20 30 CFEDMN C=CC[C@@H](Oc1nc2[nH]cnc2c(=S)[nH]1)C(C)C ZINC001226787394 775966109 /nfs/dbraw/zinc/96/61/09/775966109.db2.gz XSFQSOHUQXFADY-MRVPVSSYSA-N 0 1 264.354 2.621 20 30 CFEDMN C/C=C(/C)C(=O)NC1CCN(Cc2ccc(C#N)cc2)CC1 ZINC001226810453 775973651 /nfs/dbraw/zinc/97/36/51/775973651.db2.gz SMHUEZDFSNNATK-BNNQUZSASA-N 0 1 297.402 2.605 20 30 CFEDMN C#CCCCCC(=O)NC1CCN(C/C=C\Cl)CC1 ZINC001226961994 776037168 /nfs/dbraw/zinc/03/71/68/776037168.db2.gz WALMZWBSYUVVAU-POHAHGRESA-N 0 1 282.815 2.513 20 30 CFEDMN C=CC[C@@H](C=C)Oc1[nH]c(=O)nc2ccc([N+](=O)[O-])cc21 ZINC001227096279 776094456 /nfs/dbraw/zinc/09/44/56/776094456.db2.gz NSBLNWBQJJKBRH-SNVBAGLBSA-N 0 1 287.275 2.753 20 30 CFEDMN Cc1ccc(C(=O)NCCN2CC=C(C)CC2)c(O)c1 ZINC000331242353 776094533 /nfs/dbraw/zinc/09/45/33/776094533.db2.gz QVVSYQARVDHDAJ-UHFFFAOYSA-N 0 1 274.364 2.657 20 30 CFEDMN C=C[C@@](C)(CC)C(=O)N1CCC[C@@H]1CNCC(=C)Cl ZINC001267964397 776131372 /nfs/dbraw/zinc/13/13/72/776131372.db2.gz ROMJJIWPHSXCQA-HIFRSBDPSA-N 0 1 284.831 2.922 20 30 CFEDMN CCOC(=O)CC1CC(Oc2nc3ccc(C#N)cc3[nH]2)C1 ZINC001227216090 776142403 /nfs/dbraw/zinc/14/24/03/776142403.db2.gz NHCLQIJYAIMQIR-UHFFFAOYSA-N 0 1 299.330 2.545 20 30 CFEDMN N#Cc1ccc2nc(OC3Cc4ccccc4C3)[nH]c2c1 ZINC001227222303 776144163 /nfs/dbraw/zinc/14/41/63/776144163.db2.gz ZLPHOMJHNFRGIH-UHFFFAOYSA-N 0 1 275.311 2.981 20 30 CFEDMN CC[C@@H](C#Cc1ccccc1)Oc1ncnc2nc[nH]c21 ZINC001227533363 776223437 /nfs/dbraw/zinc/22/34/37/776223437.db2.gz ALPNAUMDLLJHLB-ZDUSSCGKSA-N 0 1 278.315 2.562 20 30 CFEDMN C#CCC1(C(=O)NC2CCN(C[C@@H](F)CC)CC2)CCC1 ZINC001227754981 776281430 /nfs/dbraw/zinc/28/14/30/776281430.db2.gz VTWMCDXCHOWJSS-AWEZNQCLSA-N 0 1 294.414 2.509 20 30 CFEDMN N#Cc1cc(Nc2c(O)cc(F)cc2F)ccc1N ZINC001213436206 776289967 /nfs/dbraw/zinc/28/99/67/776289967.db2.gz WDFTZLQQEWIDGY-UHFFFAOYSA-N 0 1 261.231 2.868 20 30 CFEDMN C=C1O[C@H](C)C(=O)C1Oc1c(F)cc(OC)cc1F ZINC001227894928 776320576 /nfs/dbraw/zinc/32/05/76/776320576.db2.gz JYFUFANLJZYDEL-ZCFIWIBFSA-N 0 1 270.231 2.572 20 30 CFEDMN C=CCN1CCC[C@@H](NC(=O)c2cccc3c2CCC3)C1 ZINC001009698693 776330715 /nfs/dbraw/zinc/33/07/15/776330715.db2.gz RPTACAVYPVRRTB-OAHLLOKOSA-N 0 1 284.403 2.556 20 30 CFEDMN C[C@@H](CS)Oc1[nH]c(=O)nc2cc(Cl)ccc21 ZINC001227989929 776352137 /nfs/dbraw/zinc/35/21/37/776352137.db2.gz YZMNMHSARONYLA-LURJTMIESA-N 0 1 270.741 2.686 20 30 CFEDMN N#Cc1ccc([O-])cc1O[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC001228004668 776358065 /nfs/dbraw/zinc/35/80/65/776358065.db2.gz DOJUUUFMTDJBMP-QGZVFWFLSA-N 0 1 294.354 2.917 20 30 CFEDMN N#Cc1ccc([O-])cc1O[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC001228004668 776358075 /nfs/dbraw/zinc/35/80/75/776358075.db2.gz DOJUUUFMTDJBMP-QGZVFWFLSA-N 0 1 294.354 2.917 20 30 CFEDMN C=C(C)CN1CCC[C@H]1CNC(=O)c1sccc1C ZINC001027726118 776429489 /nfs/dbraw/zinc/42/94/89/776429489.db2.gz NYECYFTXQCETGF-ZDUSSCGKSA-N 0 1 278.421 2.827 20 30 CFEDMN C=CCC1(CNC(=O)NCCN2CC=CCC2)CCCC1 ZINC001228271028 776440452 /nfs/dbraw/zinc/44/04/52/776440452.db2.gz WMICEBORWPUZHV-UHFFFAOYSA-N 0 1 291.439 2.684 20 30 CFEDMN C#C[C@@H](CCCC)Oc1nc(Cl)nc2nc[nH]c21 ZINC001228506987 776508349 /nfs/dbraw/zinc/50/83/49/776508349.db2.gz BSLLSTBZTDQBEO-QMMMGPOBSA-N 0 1 264.716 2.577 20 30 CFEDMN C[C@H](C#C[Si](C)(C)C)Oc1nc(Cl)nc2nc[nH]c21 ZINC001228507507 776508625 /nfs/dbraw/zinc/50/86/25/776508625.db2.gz RXDAVOLBHQEJJL-MRVPVSSYSA-N 0 1 294.818 2.654 20 30 CFEDMN C=C(C)CN1CCC[C@@H]1CNC(=O)c1ccc(CC)o1 ZINC001027973037 776535999 /nfs/dbraw/zinc/53/59/99/776535999.db2.gz JCXWPPKXCWUZMX-CYBMUJFWSA-N 0 1 276.380 2.612 20 30 CFEDMN C=CCN1CCC[C@H]1CNC(=O)c1cccc(C(C)C)n1 ZINC001028002011 776549070 /nfs/dbraw/zinc/54/90/70/776549070.db2.gz NTSNFHVMXDLNRG-AWEZNQCLSA-N 0 1 287.407 2.585 20 30 CFEDMN C[C@H](C#C[Si](C)(C)C)Oc1ccc2[nH]nnc2c1 ZINC001228662849 776556990 /nfs/dbraw/zinc/55/69/90/776556990.db2.gz MSTMAKUOMZIELW-SNVBAGLBSA-N 0 1 259.385 2.606 20 30 CFEDMN COC(=O)[C@H]1CC[C@H](Nc2c[nH]c3c(C#N)cnc-3c2)CC1 ZINC001167830399 776562146 /nfs/dbraw/zinc/56/21/46/776562146.db2.gz GYZMLGDZWAULEQ-UMSPYCQHSA-N 0 1 298.346 2.578 20 30 CFEDMN C#CCCN1CC[C@@H]1CNC(=O)[C@H]1CC[C@H](C(C)C)CC1 ZINC001038851611 776577151 /nfs/dbraw/zinc/57/71/51/776577151.db2.gz PBDQJFYXQXRIHG-BRWVUGGUSA-N 0 1 290.451 2.663 20 30 CFEDMN C=CCN1CCC[C@@H]1CNC(=O)c1coc(C(F)F)c1 ZINC001028100987 776620923 /nfs/dbraw/zinc/62/09/23/776620923.db2.gz NIHIRVKCPYFSPQ-LLVKDONJSA-N 0 1 284.306 2.597 20 30 CFEDMN C=CCN1CCC[C@@H]1CNC(=O)c1cccc(Cl)c1F ZINC001028110522 776632859 /nfs/dbraw/zinc/63/28/59/776632859.db2.gz DAXUDHVYUVRFJZ-LLVKDONJSA-N 0 1 296.773 2.859 20 30 CFEDMN C#CCN1CCC[C@H]1CNC(=O)c1ccccc1C1(C)CC1 ZINC001028135765 776651429 /nfs/dbraw/zinc/65/14/29/776651429.db2.gz XZKQDOHGGPLVNN-HNNXBMFYSA-N 0 1 296.414 2.566 20 30 CFEDMN N#CC[C@H](Oc1nnc2c[nH]ccc1-2)c1ccccc1 ZINC001228988936 776679915 /nfs/dbraw/zinc/67/99/15/776679915.db2.gz CHTUCEDCATXCQX-AWEZNQCLSA-N 0 1 264.288 2.992 20 30 CFEDMN C[C@@H](Oc1nnc2c[nH]ccc1-2)c1ccccc1C#N ZINC001228994611 776682991 /nfs/dbraw/zinc/68/29/91/776682991.db2.gz HHDOBMUWJNYGDW-SNVBAGLBSA-N 0 1 264.288 2.970 20 30 CFEDMN CC#CCN(C)CCN(C)C(=O)C1(c2ccccc2)CCC1 ZINC001268241922 776718470 /nfs/dbraw/zinc/71/84/70/776718470.db2.gz FJXHJLDNRFAJKB-UHFFFAOYSA-N 0 1 298.430 2.522 20 30 CFEDMN C=CCC[C@H](C)N1CC(NC(=O)C(C)=C2CCC2)C1 ZINC001268295926 776742335 /nfs/dbraw/zinc/74/23/35/776742335.db2.gz JTKVATXRHPUOPU-LBPRGKRZSA-N 0 1 262.397 2.642 20 30 CFEDMN C=CCCN1CC[C@H]1CNC(=O)c1ccc(Cl)s1 ZINC001038988081 776772871 /nfs/dbraw/zinc/77/28/71/776772871.db2.gz GPDKZRQBSFPPER-JTQLQIEISA-N 0 1 284.812 2.782 20 30 CFEDMN C#CCN1CCC[C@H]1CNC(=O)c1ccc2ccccc2c1 ZINC001028279933 776798687 /nfs/dbraw/zinc/79/86/87/776798687.db2.gz XTGQAWAGYQQRAF-SFHVURJKSA-N 0 1 292.382 2.667 20 30 CFEDMN C#C[C@H]1CCC[C@H]1Oc1nc2ccc(OC)cc2[nH]1 ZINC001229728813 776881118 /nfs/dbraw/zinc/88/11/18/776881118.db2.gz DKFJNRHMDIVNBO-IINYFYTJSA-N 0 1 256.305 2.752 20 30 CFEDMN C=CCC(C)(C)C(=O)N(CC)CCNCc1ccccn1 ZINC001268485230 776882461 /nfs/dbraw/zinc/88/24/61/776882461.db2.gz YTZQHCFMJXTTDP-UHFFFAOYSA-N 0 1 289.423 2.622 20 30 CFEDMN C/C(=N\O)c1ccccc1O[C@@H]1CCC[N@H+](C)CC1 ZINC001229737135 776883809 /nfs/dbraw/zinc/88/38/09/776883809.db2.gz QNXVTGJNRAPQGG-MLDYKZIASA-N 0 1 262.353 2.748 20 30 CFEDMN C/C(=N\O)c1ccccc1O[C@H]1CCC[N@H+](C)CC1 ZINC001229737134 776884114 /nfs/dbraw/zinc/88/41/14/776884114.db2.gz QNXVTGJNRAPQGG-HKJJFUAXSA-N 0 1 262.353 2.748 20 30 CFEDMN C=C(Cl)CNC/C=C/CNC(=O)C(C)(C)CCC ZINC001268585893 776961729 /nfs/dbraw/zinc/96/17/29/776961729.db2.gz RUBRFAYXESIBQZ-VOTSOKGWSA-N 0 1 272.820 2.827 20 30 CFEDMN CC[N@H+]1CC[C@@H](Oc2cccc(Br)c2C#N)C1 ZINC001230322628 776979998 /nfs/dbraw/zinc/97/99/98/776979998.db2.gz YLHNZXJBARHCLC-SNVBAGLBSA-N 0 1 295.180 2.794 20 30 CFEDMN C=C1O[C@@H](CC)C(=O)C1Oc1cc(F)cc(C(=O)OC)c1 ZINC001230420813 776992843 /nfs/dbraw/zinc/99/28/43/776992843.db2.gz DTLURHTUBPRHCW-LBPRGKRZSA-N 0 1 294.278 2.601 20 30 CFEDMN C=CCCCC(=O)N[C@H](C)CNCc1cc(F)ccc1F ZINC001268660710 777012569 /nfs/dbraw/zinc/01/25/69/777012569.db2.gz WWALKPVRWIRSOS-GFCCVEGCSA-N 0 1 296.361 2.915 20 30 CFEDMN C#C[C@@H](Oc1cc2[nH]ncc2cc1[N+](=O)[O-])c1ccncc1 ZINC001230600525 777023918 /nfs/dbraw/zinc/02/39/18/777023918.db2.gz GHOCPYWYFRFVGN-CQSZACIVSA-N 0 1 294.270 2.619 20 30 CFEDMN C=CCN(CCCNC(=O)C=C(C)C)Cc1cccnc1 ZINC001230655955 777036689 /nfs/dbraw/zinc/03/66/89/777036689.db2.gz JOYUGWTWIMGMMT-UHFFFAOYSA-N 0 1 287.407 2.542 20 30 CFEDMN C#CCN(C)C[C@@H](C)NC(=O)C(C)(C)CCCCC ZINC001268756860 777046786 /nfs/dbraw/zinc/04/67/86/777046786.db2.gz OFJKDQUOQZEFOR-CQSZACIVSA-N 0 1 266.429 2.663 20 30 CFEDMN C=CCN(CCCNC(=O)C=C1CCC1)Cc1cccnc1 ZINC001230731803 777053484 /nfs/dbraw/zinc/05/34/84/777053484.db2.gz OCBQKQHLKUEJSH-UHFFFAOYSA-N 0 1 299.418 2.686 20 30 CFEDMN C=C1O[C@@H](C)C(=O)C1Oc1cc(Cl)nc(Cl)c1 ZINC001225603728 777075771 /nfs/dbraw/zinc/07/57/71/777075771.db2.gz DETQEVQEDPKKSG-YFKPBYRVSA-N 0 1 274.103 2.987 20 30 CFEDMN C#C[C@@H]1CCC[C@@H]1Oc1[nH]c(=O)nc2cc(C)ccc21 ZINC001230889220 777083480 /nfs/dbraw/zinc/08/34/80/777083480.db2.gz SRNJZTFYCREWKN-RISCZKNCSA-N 0 1 268.316 2.825 20 30 CFEDMN CCC[C@@H](C#Cc1ccccc1)Oc1nncc2n[nH]cc21 ZINC001230900360 777088272 /nfs/dbraw/zinc/08/82/72/777088272.db2.gz HKPZFCLOIWBHSB-AWEZNQCLSA-N 0 1 292.342 2.952 20 30 CFEDMN C#C[C@@H](Oc1nncc2n[nH]cc21)[C@@H](CC)CCCC ZINC001230901661 777088433 /nfs/dbraw/zinc/08/84/33/777088433.db2.gz SHVKJRHKXNSBAC-SMDDNHRTSA-N 0 1 272.352 2.950 20 30 CFEDMN C=CCN1CC[C@H](NC(=O)CC[C@@H](C)c2ccccc2)C1 ZINC001269069075 777096633 /nfs/dbraw/zinc/09/66/33/777096633.db2.gz GVUPWEBAKYXNBF-WBVHZDCISA-N 0 1 286.419 2.947 20 30 CFEDMN CCCCCCCCCC(=O)N1CC2(CN(C)C2)C1 ZINC001269127482 777108482 /nfs/dbraw/zinc/10/84/82/777108482.db2.gz ULSZCPMQCNNREM-UHFFFAOYSA-N 0 1 266.429 2.901 20 30 CFEDMN Cc1cc[nH]c2nc(O[C@H](C)C#C[Si](C)(C)C)nc1-2 ZINC001231063877 777129621 /nfs/dbraw/zinc/12/96/21/777129621.db2.gz TXPWMKUOZLFARU-LLVKDONJSA-N 0 1 273.412 2.914 20 30 CFEDMN C=CCOCCN1CC[C@@H]1CN(C)C(=O)C[C@H](C)CCC ZINC001231139483 777153738 /nfs/dbraw/zinc/15/37/38/777153738.db2.gz OZWAJQXTBTVISF-HZPDHXFCSA-N 0 1 296.455 2.548 20 30 CFEDMN C=C(C)CN1CC[C@H]1CN(C)C(=O)C[C@H](C)C(C)C ZINC001231177945 777166894 /nfs/dbraw/zinc/16/68/94/777166894.db2.gz GUBUUUCZIRDJQR-GJZGRUSLSA-N 0 1 266.429 2.777 20 30 CFEDMN C=C(C)CN1CC[C@H]1CNC(=O)[C@@H](CC)CCC ZINC001269327757 777170445 /nfs/dbraw/zinc/17/04/45/777170445.db2.gz ZDTULZVSGYPDLW-KBPBESRZSA-N 0 1 252.402 2.579 20 30 CFEDMN C=CCN1CC[C@H](N(CC)C(=O)[C@@H](F)c2ccccc2)C1 ZINC001269344044 777175297 /nfs/dbraw/zinc/17/52/97/777175297.db2.gz ABVFWNQQBZREIA-HOTGVXAUSA-N 0 1 290.382 2.806 20 30 CFEDMN C#CC[N@@H+]1CC[C@H](CNC(=O)c2cc(C)ccc2C2CC2)C1 ZINC001028711933 777183251 /nfs/dbraw/zinc/18/32/51/777183251.db2.gz BDFMYUHPVVTRKE-OAHLLOKOSA-N 0 1 296.414 2.557 20 30 CFEDMN N#C[C@@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1cc(C(=O)[O-])ccc1F ZINC001231458484 777226623 /nfs/dbraw/zinc/22/66/23/777226623.db2.gz JVWVWQLHBATTQR-OJNYZHBWSA-N 0 1 288.322 2.790 20 30 CFEDMN N#C[C@@H]1CCC[N@H+](Cc2ccc(C(=O)[O-])s2)CC1 ZINC001231464012 777227044 /nfs/dbraw/zinc/22/70/44/777227044.db2.gz BQMZQKVLUXVNRR-SNVBAGLBSA-N 0 1 264.350 2.572 20 30 CFEDMN CCCO[C@@H]1CCN(Cc2ccc(C#N)cc2OC)C1 ZINC001231618964 777280817 /nfs/dbraw/zinc/28/08/17/777280817.db2.gz ZTNCHAHFCXRGKT-OAHLLOKOSA-N 0 1 274.364 2.568 20 30 CFEDMN C=C(Cl)CNC[C@H]1CCCN1C(=O)/C=C(\C)CC ZINC001270041416 777294021 /nfs/dbraw/zinc/29/40/21/777294021.db2.gz AYXVNFHWCLSJAE-RUNBWSAHSA-N 0 1 270.804 2.676 20 30 CFEDMN COc1ccc(C[N@H+]2CCC[C@H](CC#N)C2)cc1C(=O)[O-] ZINC001231752237 777323812 /nfs/dbraw/zinc/32/38/12/777323812.db2.gz OSJXKGPWCVPTNR-GFCCVEGCSA-N 0 1 288.347 2.519 20 30 CFEDMN CCOc1ncccc1CN1CCC(CC#N)CC1 ZINC001231764099 777328883 /nfs/dbraw/zinc/32/88/83/777328883.db2.gz BERBVQOWLSMNAA-UHFFFAOYSA-N 0 1 259.353 2.606 20 30 CFEDMN CN(CCC#N)c1ccc(CN2CCCCC23COC3)cc1 ZINC001231818255 777343197 /nfs/dbraw/zinc/34/31/97/777343197.db2.gz VNLWAHMWQIYULA-UHFFFAOYSA-N 0 1 299.418 2.791 20 30 CFEDMN CCCCCCCN1CC(N(C)C(=O)[C@H]2CCCOC2)C1 ZINC001277571142 777343553 /nfs/dbraw/zinc/34/35/53/777343553.db2.gz RYXOMFFYRPHNJO-HNNXBMFYSA-N 0 1 296.455 2.526 20 30 CFEDMN C#C[C@H]1CCCN(Cc2cccnc2OCCC)C1 ZINC001231864393 777355812 /nfs/dbraw/zinc/35/58/12/777355812.db2.gz OWVKMNQVYYYVIK-AWEZNQCLSA-N 0 1 258.365 2.716 20 30 CFEDMN C#CC1CCN(Cc2ccnc(C(F)F)c2)CC1 ZINC001231892051 777369455 /nfs/dbraw/zinc/36/94/55/777369455.db2.gz PWSTZLAZSITIRC-UHFFFAOYSA-N 0 1 250.292 2.864 20 30 CFEDMN C=C(Cl)CNC[C@H](NC(=O)C#CC(C)C)C1CCCC1 ZINC001270396503 777370243 /nfs/dbraw/zinc/37/02/43/777370243.db2.gz IUJLYLWVUSTEHM-HNNXBMFYSA-N 0 1 296.842 2.663 20 30 CFEDMN C=C1O[C@H](CC)C(=O)C1Oc1cc(F)cnc1Cl ZINC001226108626 777434192 /nfs/dbraw/zinc/43/41/92/777434192.db2.gz DGYAGHHZDJNLRB-MRVPVSSYSA-N 0 1 271.675 2.862 20 30 CFEDMN C=C(Cl)CNC[C@@H](C1CC1)N(C)C(=O)[C@@H]1CC=CCC1 ZINC001277615053 777443891 /nfs/dbraw/zinc/44/38/91/777443891.db2.gz HZFGDIVXLIIBOW-CABCVRRESA-N 0 1 296.842 2.922 20 30 CFEDMN N#Cc1ccc(CN2CC[C@]3(CCOC3)C2)cc1Cl ZINC001232112443 777444482 /nfs/dbraw/zinc/44/44/82/777444482.db2.gz WLAIEXWVBIGVHY-HNNXBMFYSA-N 0 1 276.767 2.824 20 30 CFEDMN C=CC(C)(C)C(=O)N(C)C1CN(CC2CC3(CCC3)C2)C1 ZINC001277637421 777495157 /nfs/dbraw/zinc/49/51/57/777495157.db2.gz WEQDNHWHBYUSRM-UHFFFAOYSA-N 0 1 290.451 2.922 20 30 CFEDMN CC#CCN1CC2(C1)CCN(C(=O)[C@@H](C)CCCC)CC2 ZINC001270845121 777515868 /nfs/dbraw/zinc/51/58/68/777515868.db2.gz LHHOLJFAYOQGFL-INIZCTEOSA-N 0 1 290.451 2.760 20 30 CFEDMN CC#CCN1CC2(C1)CCN(C(=O)[C@H](C)CCCC)CC2 ZINC001270845122 777515905 /nfs/dbraw/zinc/51/59/05/777515905.db2.gz LHHOLJFAYOQGFL-MRXNPFEDSA-N 0 1 290.451 2.760 20 30 CFEDMN C#C[C@H]1CCCN(Cc2cnc(SC)cc2C)C1 ZINC001232348164 777531279 /nfs/dbraw/zinc/53/12/79/777531279.db2.gz ODJTZSQFDFNDNB-ZDUSSCGKSA-N 0 1 260.406 2.957 20 30 CFEDMN C=CCN1CC2(C1)CCN(C(=O)CCCC1CC1)CC2 ZINC001270857632 777533314 /nfs/dbraw/zinc/53/33/14/777533314.db2.gz LRCIWVJPAZSICO-UHFFFAOYSA-N 0 1 276.424 2.677 20 30 CFEDMN N#CC1(c2ccccc2)CCN(Cc2ccc(N)nc2)CC1 ZINC001232364654 777535979 /nfs/dbraw/zinc/53/59/79/777535979.db2.gz VGZRGGXJYILTQC-UHFFFAOYSA-N 0 1 292.386 2.721 20 30 CFEDMN C#C[C@@H]1CCCN(Cc2cc(OC)ccc2OCC)C1 ZINC001232385098 777540683 /nfs/dbraw/zinc/54/06/83/777540683.db2.gz GRJKJYMNLKIQMG-CQSZACIVSA-N 0 1 273.376 2.939 20 30 CFEDMN N#Cc1ccnc(CN2CCC(c3ccncc3)CC2)c1 ZINC001232480599 777576437 /nfs/dbraw/zinc/57/64/37/777576437.db2.gz FLGTUEIWBCAOMX-UHFFFAOYSA-N 0 1 278.359 2.728 20 30 CFEDMN C=C(C)CN1CC[C@H](NC(=O)c2cnc(C)s2)[C@H]1CC ZINC001087517261 777577129 /nfs/dbraw/zinc/57/71/29/777577129.db2.gz NVFBRDLLUQEWQW-QWHCGFSZSA-N 0 1 293.436 2.610 20 30 CFEDMN C#CCN1CCC[C@@](C)(CNC(=O)[C@@]2(C)CC=CCC2)C1 ZINC001270965904 777616790 /nfs/dbraw/zinc/61/67/90/777616790.db2.gz RESXUOUYRXNKQL-ROUUACIJSA-N 0 1 288.435 2.584 20 30 CFEDMN CC#CCN1CC[C@H](NC(=O)C(F)=C2CCCC2)[C@H]1CC ZINC001087540201 777630829 /nfs/dbraw/zinc/63/08/29/777630829.db2.gz IBGUNZOWNSAPHT-LSDHHAIUSA-N 0 1 292.398 2.776 20 30 CFEDMN N#Cc1ccc([O-])c(C[N@@H+]2CCOC[C@@H]2c2ccccc2)c1 ZINC001232673552 777636651 /nfs/dbraw/zinc/63/66/51/777636651.db2.gz IYGGHAMYUANUQC-QGZVFWFLSA-N 0 1 294.354 2.837 20 30 CFEDMN N#Cc1ccc([O-])c(C[N@H+]2CCOC[C@@H]2c2ccccc2)c1 ZINC001232673552 777636655 /nfs/dbraw/zinc/63/66/55/777636655.db2.gz IYGGHAMYUANUQC-QGZVFWFLSA-N 0 1 294.354 2.837 20 30 CFEDMN N#Cc1ccc(O)c(CN2CCOC[C@@H]2c2ccccc2)c1 ZINC001232673552 777636659 /nfs/dbraw/zinc/63/66/59/777636659.db2.gz IYGGHAMYUANUQC-QGZVFWFLSA-N 0 1 294.354 2.837 20 30 CFEDMN CCCC[N@@H+](CCC#N)Cc1cc(C#N)ccc1[O-] ZINC001232675673 777638402 /nfs/dbraw/zinc/63/84/02/777638402.db2.gz COHMQORHNQRRRS-UHFFFAOYSA-N 0 1 257.337 2.780 20 30 CFEDMN COc1ccc2c(c1)C[N@@H+](Cc1cc(C#N)ccc1[O-])C2 ZINC001232679979 777640413 /nfs/dbraw/zinc/64/04/13/777640413.db2.gz WFJOFCGPIPISHS-UHFFFAOYSA-N 0 1 280.327 2.788 20 30 CFEDMN COc1ccc2c(c1)C[N@H+](Cc1cc(C#N)ccc1[O-])C2 ZINC001232679979 777640414 /nfs/dbraw/zinc/64/04/14/777640414.db2.gz WFJOFCGPIPISHS-UHFFFAOYSA-N 0 1 280.327 2.788 20 30 CFEDMN C=CCC[C@H](C)N1CC(N(C)C(=O)C[C@@H](C)C2CC2)C1 ZINC001277706582 777649037 /nfs/dbraw/zinc/64/90/37/777649037.db2.gz AQBUAJJTKRUVIO-KGLIPLIRSA-N 0 1 278.440 2.920 20 30 CFEDMN CC#CCN1CC[C@H](NC(=O)c2ccoc2Cl)[C@H]1CC ZINC001087554523 777650947 /nfs/dbraw/zinc/65/09/47/777650947.db2.gz KQZMZORJIASRPP-QWHCGFSZSA-N 0 1 294.782 2.539 20 30 CFEDMN CC#CCN1CC[C@H](NC(=O)[C@@H]2CCCC23CC3)[C@H]1CC ZINC001087622713 777668387 /nfs/dbraw/zinc/66/83/87/777668387.db2.gz BZHVULSVRZZRPD-HRCADAONSA-N 0 1 288.435 2.559 20 30 CFEDMN CC#CCN1CC[C@H](NC(=O)c2ccccc2CC)[C@H]1CC ZINC001087705685 777683561 /nfs/dbraw/zinc/68/35/61/777683561.db2.gz BZJMJLXFYMDGIG-ZWKOTPCHSA-N 0 1 298.430 2.855 20 30 CFEDMN N#C[C@@H]1CN(Cc2ccc(F)c(F)c2Cl)CCC1=O ZINC001232877187 777701361 /nfs/dbraw/zinc/70/13/61/777701361.db2.gz DJLCHURWGCFHAS-SECBINFHSA-N 0 1 284.693 2.533 20 30 CFEDMN C#CCN1CC[C@H](NC(=O)C23CCC(CC2)CC3)[C@H]1CC ZINC001087836467 777714225 /nfs/dbraw/zinc/71/42/25/777714225.db2.gz VOMXTGLHNYIXNX-BNQMIIOLSA-N 0 1 288.435 2.559 20 30 CFEDMN C#CCN1CC[C@H](NC(=O)[C@@H]2CCCC(C)(C)C2)[C@H]1CC ZINC001087843501 777717570 /nfs/dbraw/zinc/71/75/70/777717570.db2.gz ATMMRRWMHRNARM-OWCLPIDISA-N 0 1 290.451 2.805 20 30 CFEDMN C#CCN1CC[C@H](NC(=O)[C@H]2CCCC(C)(C)C2)[C@H]1CC ZINC001087843500 777717607 /nfs/dbraw/zinc/71/76/07/777717607.db2.gz ATMMRRWMHRNARM-HRCADAONSA-N 0 1 290.451 2.805 20 30 CFEDMN CC[N@H+]1CCN(Cc2ccc(C)cc2C#N)C(C)(C)C1 ZINC001232968641 777744172 /nfs/dbraw/zinc/74/41/72/777744172.db2.gz KHCRFXZOHJYYNH-UHFFFAOYSA-N 0 1 271.408 2.783 20 30 CFEDMN N#Cc1cc[nH]c1CN1C[C@H]2[C@@H](C1)CCC[C@@H]2OCC1CC1 ZINC001233045023 777774096 /nfs/dbraw/zinc/77/40/96/777774096.db2.gz QXICIAAAWFLJQX-RYRKJORJSA-N 0 1 299.418 2.913 20 30 CFEDMN N#C[C@H]1CCC[N@H+](Cc2ccc(F)c(F)c2[O-])CC1 ZINC001233077887 777789556 /nfs/dbraw/zinc/78/95/56/777789556.db2.gz BLVXDYVWXWEWMA-JTQLQIEISA-N 0 1 266.291 2.796 20 30 CFEDMN C#C[C@@H]1CCCN(Cc2ccc(N(C)C)c(C#N)c2F)C1 ZINC001233101643 777794482 /nfs/dbraw/zinc/79/44/82/777794482.db2.gz CJHLBBBHHQZVBP-CYBMUJFWSA-N 0 1 285.366 2.609 20 30 CFEDMN N#C[C@H]1CN(Cc2csc(C(F)(F)F)c2)CCC1=O ZINC001233178793 777819260 /nfs/dbraw/zinc/81/92/60/777819260.db2.gz RBGJTFREOXLBGA-VIFPVBQESA-N 0 1 288.294 2.681 20 30 CFEDMN C[C@H](CC(F)(F)CN)c1nc(-c2cccc(C#N)c2)no1 ZINC001211895881 777861685 /nfs/dbraw/zinc/86/16/85/777861685.db2.gz OSNQIKBKFHWQRH-SECBINFHSA-N 0 1 292.289 2.696 20 30 CFEDMN C[C@H]1C[N@@H+](Cc2ccc(C#N)cc2[O-])CCC1(F)F ZINC001233383894 777928213 /nfs/dbraw/zinc/92/82/13/777928213.db2.gz ZWMXJOKOAMORHS-JTQLQIEISA-N 0 1 266.291 2.741 20 30 CFEDMN N#Cc1ccc(C[N@@H+]2C[C@H]3[C@H](CCC3(F)F)C2)c([O-])c1 ZINC001233384388 777928180 /nfs/dbraw/zinc/92/81/80/777928180.db2.gz UCPLSNMGBRQSNI-YPMHNXCESA-N 0 1 278.302 2.741 20 30 CFEDMN C#CC1CCN(Cc2cn3ccc(Cl)cc3n2)CC1 ZINC001233391864 777932929 /nfs/dbraw/zinc/93/29/29/777932929.db2.gz AIKHLCVHFRBXCJ-UHFFFAOYSA-N 0 1 273.767 2.833 20 30 CFEDMN C[C@@H]1C[C@@H](N(CCC#N)Cc2ccccc2)CCO1 ZINC001168103907 778046614 /nfs/dbraw/zinc/04/66/14/778046614.db2.gz KGEYCMJCQKTAGW-ZBFHGGJFSA-N 0 1 258.365 2.970 20 30 CFEDMN C=C1O[C@H](C)C(=O)C1Oc1cccc(OC(F)F)c1 ZINC001233963470 778123561 /nfs/dbraw/zinc/12/35/61/778123561.db2.gz ORTMDLKXCUABKN-SSDOTTSWSA-N 0 1 270.231 2.886 20 30 CFEDMN N#CC[C@H](Oc1[nH]c(=O)ncc1Cl)c1ccccc1 ZINC001228483769 778130400 /nfs/dbraw/zinc/13/04/00/778130400.db2.gz XKDAKCYJTPZPCA-NSHDSACASA-N 0 1 275.695 2.869 20 30 CFEDMN CC(C)=CC[N@@H+]1CC[C@@H]1CN(C)C(=O)C#CC(C)(C)C ZINC001234205675 778185163 /nfs/dbraw/zinc/18/51/63/778185163.db2.gz KQSHAAQKEYGJTQ-OAHLLOKOSA-N 0 1 276.424 2.535 20 30 CFEDMN CC(C)=CCN1CC[C@@H]1CN(C)C(=O)C#CC(C)(C)C ZINC001234205675 778185165 /nfs/dbraw/zinc/18/51/65/778185165.db2.gz KQSHAAQKEYGJTQ-OAHLLOKOSA-N 0 1 276.424 2.535 20 30 CFEDMN COc1cc(/C=C/C(C)=O)ccc1O[C@H]1CCC[N@@H+](C)C1 ZINC001234336133 778210182 /nfs/dbraw/zinc/21/01/82/778210182.db2.gz PDNSKAMYVMJXJW-LFAOLKIESA-N 0 1 289.375 2.770 20 30 CFEDMN C=C(Cl)CN[C@H]1C[C@H](C)N(C(=O)c2cccs2)C1 ZINC000987894608 778237338 /nfs/dbraw/zinc/23/73/38/778237338.db2.gz GPRXBEDJCMAPOZ-QWRGUYRKSA-N 0 1 284.812 2.693 20 30 CFEDMN C[C@H]1CCC[C@H]1Oc1[nH]c(=O)nc2ccc(C#N)cc21 ZINC001234515197 778240612 /nfs/dbraw/zinc/24/06/12/778240612.db2.gz GTANKCLDRYUWTO-TVQRCGJNSA-N 0 1 269.304 2.774 20 30 CFEDMN CCC(CC)Oc1[nH]c(=O)nc2cccc(C#N)c21 ZINC001234510608 778241312 /nfs/dbraw/zinc/24/13/12/778241312.db2.gz BUYIDQMLOVVNAK-UHFFFAOYSA-N 0 1 257.293 2.774 20 30 CFEDMN C=C(C)CCC(=O)N(C)C[C@@H]1CC[N@@H+]1CC[C@@H](C)F ZINC001234614981 778266414 /nfs/dbraw/zinc/26/64/14/778266414.db2.gz WRGDUZXXRQAWST-KGLIPLIRSA-N 0 1 270.392 2.624 20 30 CFEDMN C=C[C@H](CC)O/C(=N\O)c1cc(OC)ccc1OC ZINC001223893556 778359757 /nfs/dbraw/zinc/35/97/57/778359757.db2.gz XIMHVOUKIYULPB-ZEIZSXSISA-N 0 1 265.309 2.821 20 30 CFEDMN C=C(C)CN1CC[C@@H]1CN(C)C(=O)C(C)(C)CC(F)F ZINC001235223327 778421091 /nfs/dbraw/zinc/42/10/91/778421091.db2.gz BSKAWRCZTAZWDD-GFCCVEGCSA-N 0 1 288.382 2.777 20 30 CFEDMN N#C[C@@H]1CCCN1Cc1cc(F)cc(Br)c1O ZINC001235299572 778449391 /nfs/dbraw/zinc/44/93/91/778449391.db2.gz VZZZUTOYWOKASJ-JTQLQIEISA-N 0 1 299.143 2.782 20 30 CFEDMN N#C[C@@H](C(=O)Nc1ccccc1)C(=O)[C@H]1CC1(Cl)Cl ZINC000128110567 778480557 /nfs/dbraw/zinc/48/05/57/778480557.db2.gz YALZHXCRFFEXTK-NXEZZACHSA-N 0 1 297.141 2.528 20 30 CFEDMN CC#CCO[C@H]1CCCN(Cc2ccccc2F)C1 ZINC001224359371 778484518 /nfs/dbraw/zinc/48/45/18/778484518.db2.gz UXEFYZOWYIZHOE-HNNXBMFYSA-N 0 1 261.340 2.830 20 30 CFEDMN C[N@@H+](Cc1ccccc1CC#N)C1CC(F)(F)C1 ZINC001235511635 778508369 /nfs/dbraw/zinc/50/83/69/778508369.db2.gz KDTJVHWWCINDLV-UHFFFAOYSA-N 0 1 250.292 2.982 20 30 CFEDMN N#C[C@H]1CN(Cc2ccccc2-c2ccncc2)CCC1=O ZINC001235625563 778525822 /nfs/dbraw/zinc/52/58/22/778525822.db2.gz FIOMGXSRMQMUKQ-INIZCTEOSA-N 0 1 291.354 2.663 20 30 CFEDMN C=C(C)CN1CC[C@@H]1CN(C)C(=O)[C@@H](C)C1CCC1 ZINC001235744189 778552647 /nfs/dbraw/zinc/55/26/47/778552647.db2.gz VPRZIJWCXKNMCD-DZGCQCFKSA-N 0 1 264.413 2.531 20 30 CFEDMN CN1CCN(c2ccc(-c3ccc(F)c(C#N)c3)cn2)CC1 ZINC001235894272 778595154 /nfs/dbraw/zinc/59/51/54/778595154.db2.gz GOZONURIXDHGBI-UHFFFAOYSA-N 0 1 296.349 2.511 20 30 CFEDMN C=CCN1C[C@@H]2CCN(C(=O)c3sccc3CC)[C@@H]2C1 ZINC001076598049 778597320 /nfs/dbraw/zinc/59/73/20/778597320.db2.gz OKYAFZILMNVRJZ-UONOGXRCSA-N 0 1 290.432 2.643 20 30 CFEDMN N#Cc1cnccc1-c1c(F)cc(F)c(O)c1F ZINC001235998856 778648632 /nfs/dbraw/zinc/64/86/32/778648632.db2.gz RDZSIRAPEVRAFM-UHFFFAOYSA-N 0 1 250.179 2.743 20 30 CFEDMN N#CCCNC(=O)c1cc(Cl)c2ccccc2c1O ZINC000436815586 778654928 /nfs/dbraw/zinc/65/49/28/778654928.db2.gz LRNNBECQVQKHMH-UHFFFAOYSA-N 0 1 274.707 2.842 20 30 CFEDMN COCOc1ccc(F)cc1-c1cc2[nH]cnc2c(C#N)n1 ZINC001236062442 778674899 /nfs/dbraw/zinc/67/48/99/778674899.db2.gz NYOFWMUENQNLPS-UHFFFAOYSA-N 0 1 298.277 2.618 20 30 CFEDMN C=C1O[C@H](CC)C(=O)C1OCCc1cccs1 ZINC001224785281 778682872 /nfs/dbraw/zinc/68/28/72/778682872.db2.gz FFHMFTWGQFDAOC-LLVKDONJSA-N 0 1 252.335 2.917 20 30 CFEDMN C=C(Br)CNC[C@H](O)c1ccc(Cl)cc1 ZINC000168266500 778848223 /nfs/dbraw/zinc/84/82/23/778848223.db2.gz CVRDLTSPJFJKQI-NSHDSACASA-N 0 1 290.588 2.872 20 30 CFEDMN N#Cc1ccccc1CN1CC[C@@H](OCCCF)C1 ZINC001225157841 778853577 /nfs/dbraw/zinc/85/35/77/778853577.db2.gz SOIOLMNZZUOTJJ-OAHLLOKOSA-N 0 1 262.328 2.509 20 30 CFEDMN COc1ccccc1NC(=O)C(C#N)C(=O)CCC(C)C ZINC000129852619 778856844 /nfs/dbraw/zinc/85/68/44/778856844.db2.gz GRQKODVRDYYPFY-GFCCVEGCSA-N 0 1 288.347 2.779 20 30 CFEDMN CC#CCN1CC(C)(C)CC[C@H]1CNC(=O)/C(C)=C/C ZINC001099016831 778914650 /nfs/dbraw/zinc/91/46/50/778914650.db2.gz NVVIETCMSVZFMI-LULHVWEPSA-N 0 1 276.424 2.583 20 30 CFEDMN C=CCN1CC[C@H](NC(=O)c2ccc(C3CC3)nc2C)[C@H]1C ZINC001088867065 778915965 /nfs/dbraw/zinc/91/59/65/778915965.db2.gz BWRVCWUHVKUMDF-CJNGLKHVSA-N 0 1 299.418 2.646 20 30 CFEDMN C=C(C)CCN1CC(NC(=O)c2c[nH]c3ccccc23)C1 ZINC001030623895 778935216 /nfs/dbraw/zinc/93/52/16/778935216.db2.gz CERXKEAUGHYMBT-UHFFFAOYSA-N 0 1 283.375 2.548 20 30 CFEDMN C#CCN1CC[C@H](NC(=O)CC2CCCCCC2)[C@H]1C ZINC001088885582 778935707 /nfs/dbraw/zinc/93/57/07/778935707.db2.gz FCYKIJOLPUUAPM-ZBFHGGJFSA-N 0 1 276.424 2.559 20 30 CFEDMN COc1ccc(CN2CC[C@@](C)(C#N)C2)c(O)c1Cl ZINC001236809169 778949010 /nfs/dbraw/zinc/94/90/10/778949010.db2.gz KDZPSSDPQITTHU-AWEZNQCLSA-N 0 1 280.755 2.790 20 30 CFEDMN C=C(C)CN1CC[C@H](NC(=O)c2oc(CC)cc2C)[C@H]1C ZINC001088982537 778965828 /nfs/dbraw/zinc/96/58/28/778965828.db2.gz DABLEBGAEIPTOE-HIFRSBDPSA-N 0 1 290.407 2.919 20 30 CFEDMN CC#CCN1CC[C@H](NC(=O)[C@H](C)c2ccc(C)cc2)[C@H]1C ZINC001088989017 778967835 /nfs/dbraw/zinc/96/78/35/778967835.db2.gz CHKMSJBMFDRCMX-NUJGCVRESA-N 0 1 298.430 2.701 20 30 CFEDMN C=CCN1CCN(Cc2ccc(F)c3ccoc32)CC1 ZINC001236905009 778980598 /nfs/dbraw/zinc/98/05/98/778980598.db2.gz KLLMKBCTPMANEI-UHFFFAOYSA-N 0 1 274.339 2.876 20 30 CFEDMN C=CCCCCCN1CCN[C@H](C(F)(F)F)C1 ZINC001236984191 778983430 /nfs/dbraw/zinc/98/34/30/778983430.db2.gz XZCZILDCGROJID-NSHDSACASA-N 0 1 250.308 2.569 20 30 CFEDMN CCCCCCCN(C)Cc1cc(C(=O)OCC)n[nH]1 ZINC001237034062 778995365 /nfs/dbraw/zinc/99/53/65/778995365.db2.gz DJHXUKJJTGGLRB-UHFFFAOYSA-N 0 1 281.400 2.989 20 30 CFEDMN CC(C)c1ccc(CN2CCN(CCC#N)CC2)c(O)c1 ZINC001237053876 778999729 /nfs/dbraw/zinc/99/97/29/778999729.db2.gz PCXSVGIVLRGYOA-UHFFFAOYSA-N 0 1 287.407 2.547 20 30 CFEDMN C=CCN1CCN(Cc2cc(O)cc3ccccc32)CC1 ZINC001237068590 779003979 /nfs/dbraw/zinc/00/39/79/779003979.db2.gz NLLYMRDIAJHSNW-UHFFFAOYSA-N 0 1 282.387 2.849 20 30 CFEDMN N#CCCN1CCN(Cc2ccc3cccccc2-3)CC1 ZINC001237191331 779044140 /nfs/dbraw/zinc/04/41/40/779044140.db2.gz SYHFKJUMNTVUBJ-UHFFFAOYSA-N 0 1 279.387 2.823 20 30 CFEDMN C=C(C)CN(CC)Cc1n[nH]c2cc(OC)ccc21 ZINC001237387972 779090839 /nfs/dbraw/zinc/09/08/39/779090839.db2.gz GCXZHDZQKVKBLX-UHFFFAOYSA-N 0 1 259.353 2.970 20 30 CFEDMN COc1ccc2c(c1)[nH]nc2CN1[C@@H]2CC[C@H]1C[C@H](C#N)C2 ZINC001237387770 779091572 /nfs/dbraw/zinc/09/15/72/779091572.db2.gz CJMBGCDQNARCDB-XYYAHUGASA-N 0 1 296.374 2.838 20 30 CFEDMN N#Cc1ccc(O)c(NC(=O)CCC(F)(F)F)c1 ZINC000176399017 779123178 /nfs/dbraw/zinc/12/31/78/779123178.db2.gz KWIRDZPFUMMFJN-UHFFFAOYSA-N 0 1 258.199 2.545 20 30 CFEDMN N#Cc1ccc(O)c(NC(=O)c2ccncc2Cl)c1 ZINC000176399106 779123862 /nfs/dbraw/zinc/12/38/62/779123862.db2.gz RODKALIIKWYVEZ-UHFFFAOYSA-N 0 1 273.679 2.565 20 30 CFEDMN Cc1noc(C)c1[C@H](C)C(=O)Nc1cc(C#N)ccc1O ZINC000176400448 779124029 /nfs/dbraw/zinc/12/40/29/779124029.db2.gz UKKKDUCXUVBXAN-QMMMGPOBSA-N 0 1 285.303 2.611 20 30 CFEDMN N#CCCN(Cc1nnc[nH]1)C1CCCCCCC1 ZINC001237601415 779140790 /nfs/dbraw/zinc/14/07/90/779140790.db2.gz BMZZNEBROSKNKB-UHFFFAOYSA-N 0 1 261.373 2.633 20 30 CFEDMN N#Cc1ccc2nc(CN3CCC4(CC(F)C4)CC3)cn2c1 ZINC001237603649 779140923 /nfs/dbraw/zinc/14/09/23/779140923.db2.gz FGQUHIHKFBDEGV-UHFFFAOYSA-N 0 1 298.365 2.920 20 30 CFEDMN N#Cc1ccc2nc(CN3CCC4(CCC4)C3)cn2c1 ZINC001237606475 779140971 /nfs/dbraw/zinc/14/09/71/779140971.db2.gz MLIUNYJMYUOIOD-UHFFFAOYSA-N 0 1 266.348 2.582 20 30 CFEDMN C[C@@H]1CN(Cc2cn3cc(C#N)ccc3n2)C2(CC2)C1 ZINC001237616133 779144906 /nfs/dbraw/zinc/14/49/06/779144906.db2.gz CFXFANCONXAAJT-LBPRGKRZSA-N 0 1 266.348 2.580 20 30 CFEDMN N#C[C@@H]1CCN(Cc2cc(Cl)cc(F)c2O)C1 ZINC001237621548 779146240 /nfs/dbraw/zinc/14/62/40/779146240.db2.gz CABJALNFORCTCK-QMMMGPOBSA-N 0 1 254.692 2.530 20 30 CFEDMN CC#CCN1CC(C)(C)CC[C@H]1CNC(=O)C1(C)CCC1 ZINC001099174928 779147622 /nfs/dbraw/zinc/14/76/22/779147622.db2.gz CZXPRFXAXTXDIR-HNNXBMFYSA-N 0 1 290.451 2.807 20 30 CFEDMN C=CCN(CC=C)Cc1cc(OC)cc(OC)c1O ZINC001237675664 779158482 /nfs/dbraw/zinc/15/84/82/779158482.db2.gz CJJSJNJEUPQWBS-UHFFFAOYSA-N 0 1 263.337 2.583 20 30 CFEDMN C[C@H]1CCCN(Cc2cc(Cl)cc(C#N)c2)[C@@H]1CO ZINC001237747589 779172864 /nfs/dbraw/zinc/17/28/64/779172864.db2.gz YEOAHDFPPOBMBH-XHDPSFHLSA-N 0 1 278.783 2.804 20 30 CFEDMN SC1CCN(Cc2cnc(C3CC3)s2)CC1 ZINC001237789798 779178041 /nfs/dbraw/zinc/17/80/41/779178041.db2.gz OPMNTYMRIJYBIL-UHFFFAOYSA-N 0 1 254.424 2.915 20 30 CFEDMN N#C[C@@H]1C[C@H](F)CN1Cc1cc(F)cc(Cl)c1O ZINC001237802807 779183196 /nfs/dbraw/zinc/18/31/96/779183196.db2.gz PRAZAKXITKIZIP-UWVGGRQHSA-N 0 1 272.682 2.621 20 30 CFEDMN CC1(C#N)CN(Cc2n[nH]c3cc(Cl)ccc23)C1 ZINC001237992677 779223955 /nfs/dbraw/zinc/22/39/55/779223955.db2.gz IMDJGUNHXAJLRR-UHFFFAOYSA-N 0 1 260.728 2.562 20 30 CFEDMN COC(=O)[C@]1(C)CCN(Cc2ccc(Cl)c(C#N)c2)C1 ZINC001238195029 779276599 /nfs/dbraw/zinc/27/65/99/779276599.db2.gz AVUILJNZMZVZOA-OAHLLOKOSA-N 0 1 292.766 2.597 20 30 CFEDMN N#CC(C(=O)C[C@@H]1CCC2(CCC2)O1)c1cccc(F)n1 ZINC001122658200 779282570 /nfs/dbraw/zinc/28/25/70/779282570.db2.gz OQCOPMSHFQLCCS-NWDGAFQWSA-N 0 1 288.322 2.889 20 30 CFEDMN C#C[C@H]1CCCN(Cc2cncc(OC(C)C)c2)C1 ZINC001238471164 779326616 /nfs/dbraw/zinc/32/66/16/779326616.db2.gz LGPPWWNSBDQRBU-AWEZNQCLSA-N 0 1 258.365 2.714 20 30 CFEDMN CCc1cccc(C(=O)[C@@H](C#N)c2ncc(Cl)n2C)n1 ZINC001123232590 779364041 /nfs/dbraw/zinc/36/40/41/779364041.db2.gz BBATXQXOIILYGF-SNVBAGLBSA-N 0 1 288.738 2.521 20 30 CFEDMN CCc1cccc(C(=O)C(C#N)c2ncc(Cl)n2C)n1 ZINC001123232590 779364045 /nfs/dbraw/zinc/36/40/45/779364045.db2.gz BBATXQXOIILYGF-SNVBAGLBSA-N 0 1 288.738 2.521 20 30 CFEDMN CCC(=O)NC1CCN(Cc2ccc(C#N)c(CC)c2)CC1 ZINC001238774948 779389807 /nfs/dbraw/zinc/38/98/07/779389807.db2.gz NVXCVLVWTJMSRC-UHFFFAOYSA-N 0 1 299.418 2.611 20 30 CFEDMN C=C(C)CN1CC[C@@](C)(NC(=O)c2c(C)nsc2C)C1 ZINC001046859681 779398164 /nfs/dbraw/zinc/39/81/64/779398164.db2.gz XIJFHWPFOVMPRG-OAHLLOKOSA-N 0 1 293.436 2.530 20 30 CFEDMN C=CCN1CC[C@]2(CCCN2Cc2cccc(F)c2)C1=O ZINC001272654251 779405255 /nfs/dbraw/zinc/40/52/55/779405255.db2.gz VJOVDFOKPSLQSH-QGZVFWFLSA-N 0 1 288.366 2.579 20 30 CFEDMN C=C(C)CCN1CC(NC(=O)C[C@@H]2CCCC[C@H]2C)C1 ZINC001031470095 779465345 /nfs/dbraw/zinc/46/53/45/779465345.db2.gz DPRLGOTVUXKKSI-CABCVRRESA-N 0 1 278.440 2.969 20 30 CFEDMN CCCCCCCCNC(=O)NC1(C(F)(F)F)CNC1 ZINC001239229155 779477184 /nfs/dbraw/zinc/47/71/84/779477184.db2.gz KQWHDDJTCGISTF-UHFFFAOYSA-N 0 1 295.349 2.550 20 30 CFEDMN CCCCCCC[C@H](C)NC(=O)N1CCNCC12CC2 ZINC001239275935 779498500 /nfs/dbraw/zinc/49/85/00/779498500.db2.gz KSIPCRJHRCKBHJ-AWEZNQCLSA-N 0 1 281.444 2.883 20 30 CFEDMN CC(C)(C)[C@@](C)(C#N)NC(=O)c1cccc(F)c1O ZINC001127533259 779517227 /nfs/dbraw/zinc/51/72/27/779517227.db2.gz OTXJDSUNRZKSAU-CQSZACIVSA-N 0 1 264.300 2.589 20 30 CFEDMN C=C(C)CN1CC(CNC(=O)[C@@H]2CCC(C)=C(C)C2)C1 ZINC001031693498 779530560 /nfs/dbraw/zinc/53/05/60/779530560.db2.gz LCMOPANEKPUBEB-MRXNPFEDSA-N 0 1 276.424 2.747 20 30 CFEDMN CC(=O)NC[C@H]1CCC(C)(C)CN1Cc1cccc(C#N)c1 ZINC001089595650 779537174 /nfs/dbraw/zinc/53/71/74/779537174.db2.gz MEQNLCQLCQOEQV-QGZVFWFLSA-N 0 1 299.418 2.685 20 30 CFEDMN C#CCN1CC(C)(C)CC[C@H]1CNC(=O)C1CCCCC1 ZINC001089601875 779538812 /nfs/dbraw/zinc/53/88/12/779538812.db2.gz QYOFCRAKIPSRNT-INIZCTEOSA-N 0 1 290.451 2.807 20 30 CFEDMN C=CCN1CC(CNC(=O)c2ccccc2C(C)C)C1 ZINC001031716214 779548618 /nfs/dbraw/zinc/54/86/18/779548618.db2.gz OOISNUGROCOOCK-UHFFFAOYSA-N 0 1 272.392 2.658 20 30 CFEDMN C=CCN1CC(C)(C)CC[C@H]1CNC(=O)c1cocc1C ZINC001089680045 779563668 /nfs/dbraw/zinc/56/36/68/779563668.db2.gz FLBHURRTRUSZBC-AWEZNQCLSA-N 0 1 290.407 2.994 20 30 CFEDMN CCCCCCCC(=O)C(C#N)C(=O)NC(C)C ZINC000130798306 779563859 /nfs/dbraw/zinc/56/38/59/779563859.db2.gz FKCLFDYPLRQPHJ-GFCCVEGCSA-N 0 1 252.358 2.580 20 30 CFEDMN C=C(C)CN1CC(CNC(=O)c2c(F)cc(C)cc2F)C1 ZINC001031833531 779635441 /nfs/dbraw/zinc/63/54/41/779635441.db2.gz TYMGVOHIURWOCH-UHFFFAOYSA-N 0 1 294.345 2.511 20 30 CFEDMN C=C(C)CN1CC(CNC(=O)c2cccc(Cl)c2F)C1 ZINC001031946221 779679972 /nfs/dbraw/zinc/67/99/72/779679972.db2.gz MPUUEMLRMVWNQW-UHFFFAOYSA-N 0 1 296.773 2.717 20 30 CFEDMN C=CCN1CC(CNC(=O)c2ccc(-c3ccccc3)o2)C1 ZINC001031993863 779698204 /nfs/dbraw/zinc/69/82/04/779698204.db2.gz BBPPZZAKCHGNSU-UHFFFAOYSA-N 0 1 296.370 2.794 20 30 CFEDMN C=C(C)CN1CC(CNC(=O)c2csc(Cl)c2)C1 ZINC001032024011 779714671 /nfs/dbraw/zinc/71/46/71/779714671.db2.gz SMZFPHRMCYUVJI-UHFFFAOYSA-N 0 1 284.812 2.639 20 30 CFEDMN C=CCN1CC(CNC(=O)c2cccc(-c3ccoc3)c2)C1 ZINC001032112635 779738629 /nfs/dbraw/zinc/73/86/29/779738629.db2.gz ZUEYSMMHLXJSJS-UHFFFAOYSA-N 0 1 296.370 2.794 20 30 CFEDMN C=CCN1CC(CNC(=O)c2oc3ccccc3c2C)C1 ZINC001032172435 779753735 /nfs/dbraw/zinc/75/37/35/779753735.db2.gz ZRDBMRHVZNJWPG-UHFFFAOYSA-N 0 1 284.359 2.589 20 30 CFEDMN C=C(C)CN1CC(CNC(=O)c2sccc2C2CC2)C1 ZINC001032171940 779753906 /nfs/dbraw/zinc/75/39/06/779753906.db2.gz LPDFXTBBHMUKBM-UHFFFAOYSA-N 0 1 290.432 2.863 20 30 CFEDMN C=C(Cl)CN1CC[C@@]2(CNC(=O)CC3CC3)CCC[C@@H]12 ZINC001107254162 779824062 /nfs/dbraw/zinc/82/40/62/779824062.db2.gz OUNZVGIQPJMXSE-GDBMZVCRSA-N 0 1 296.842 2.900 20 30 CFEDMN CCc1cc(C[N@H+]2CCOC[C@H](C)C2)ccc1C#N ZINC001238766291 779825458 /nfs/dbraw/zinc/82/54/58/779825458.db2.gz KGKBVQDBVNQURG-CYBMUJFWSA-N 0 1 258.365 2.589 20 30 CFEDMN COCc1cccc(-c2cc3[nH]cnc3c(C#N)n2)c1 ZINC001239934355 779871452 /nfs/dbraw/zinc/87/14/52/779871452.db2.gz NMGUYEVKOIVPOB-UHFFFAOYSA-N 0 1 264.288 2.643 20 30 CFEDMN C=C(C)CCN1C[C@@H]2C[C@H]1CN2C(=O)c1cc(C)c(C)o1 ZINC001032357284 779892296 /nfs/dbraw/zinc/89/22/96/779892296.db2.gz LBWVSLXOOMVUAK-GJZGRUSLSA-N 0 1 288.391 2.761 20 30 CFEDMN C=CCCN1CCO[C@@](C)(CNC(=O)C[C@@H](C)CCC)C1 ZINC001107800481 779902105 /nfs/dbraw/zinc/90/21/05/779902105.db2.gz STVNPAUIYBWSSF-RDJZCZTQSA-N 0 1 296.455 2.596 20 30 CFEDMN C=C(C)CN1C[C@@H]2C[C@H]1CN2C(=O)[C@H]1CCC(C)=C(C)C1 ZINC001032419944 779947923 /nfs/dbraw/zinc/94/79/23/779947923.db2.gz RSQLXOITRSWUSM-ULQDDVLXSA-N 0 1 288.435 2.984 20 30 CFEDMN C=C(C)CN1C[C@@H]2C[C@H]1CN2C(=O)C[C@@H]1CCC(F)(F)C1 ZINC001032437652 779956069 /nfs/dbraw/zinc/95/60/69/779956069.db2.gz LLLAFMIWIVEBKY-IHRRRGAJSA-N 0 1 298.377 2.673 20 30 CFEDMN C=CCCN1C[C@@H]2C[C@H]1CN2C(=O)c1cc(F)ccc1C ZINC001032547635 780025136 /nfs/dbraw/zinc/02/51/36/780025136.db2.gz KDWQIXLAYBHQCF-GJZGRUSLSA-N 0 1 288.366 2.609 20 30 CFEDMN COc1ccc([C@@H]2C[C@H](N[C@@H](C)CC#N)CCO2)cc1 ZINC001168609470 780042900 /nfs/dbraw/zinc/04/29/00/780042900.db2.gz HIIVSRWCBADUJJ-BJJXKVORSA-N 0 1 274.364 2.807 20 30 CFEDMN COc1ccc([C@H]2C[C@@H](N[C@@H](C)CC#N)CCO2)cc1 ZINC001168609471 780042967 /nfs/dbraw/zinc/04/29/67/780042967.db2.gz HIIVSRWCBADUJJ-DUVNUKRYSA-N 0 1 274.364 2.807 20 30 CFEDMN C=C(C)CCC(=O)N[C@@H](C)CCNCc1nc(C)c(C)o1 ZINC001272814195 780107370 /nfs/dbraw/zinc/10/73/70/780107370.db2.gz NHFJPUNPCDDXSD-LBPRGKRZSA-N 0 1 293.411 2.632 20 30 CFEDMN COc1ccc(-c2nccc3[nH]cc(C#N)c32)cn1 ZINC001239726245 780112918 /nfs/dbraw/zinc/11/29/18/780112918.db2.gz VSFZZSVMSCMVPT-UHFFFAOYSA-N 0 1 250.261 2.505 20 30 CFEDMN COc1ccc([C@H]2C[C@H](N(C)CCC#N)CCO2)cc1 ZINC001168628392 780121970 /nfs/dbraw/zinc/12/19/70/780121970.db2.gz DXERAVIAYOWXRH-GDBMZVCRSA-N 0 1 274.364 2.761 20 30 CFEDMN N#Cc1ncncc1C1=CCCN(Cc2ccccc2)C1 ZINC001240388558 780131492 /nfs/dbraw/zinc/13/14/92/780131492.db2.gz PHYWIZRPEZNFCZ-UHFFFAOYSA-N 0 1 276.343 2.638 20 30 CFEDMN C=C(C)CN1C[C@@H]2C[C@H]1CN2C(=O)[C@H](C)C1CCCC1 ZINC001032725654 780153975 /nfs/dbraw/zinc/15/39/75/780153975.db2.gz XVWFQZLFHVVOQB-KBMXLJTQSA-N 0 1 276.424 2.674 20 30 CFEDMN CC(=NNc1ccn(C)n1)c1cc(F)c(F)c(F)c1 ZINC001116744941 780226894 /nfs/dbraw/zinc/22/68/94/780226894.db2.gz ZECBZRBVEPTPQB-UHFFFAOYSA-N 0 1 268.242 2.674 20 30 CFEDMN C=C(C)CN1C[C@@H]2C[C@H]1CN2C(=O)[C@H](C)c1ccccc1C ZINC001032795301 780242935 /nfs/dbraw/zinc/24/29/35/780242935.db2.gz DHUBBPGRFVIOQS-IKGGRYGDSA-N 0 1 298.430 2.960 20 30 CFEDMN Cc1cc(F)cc(-c2cc3[nH]cnc3c(C#N)n2)c1 ZINC001240593639 780276396 /nfs/dbraw/zinc/27/63/96/780276396.db2.gz MWDWAARZLQBMMB-UHFFFAOYSA-N 0 1 252.252 2.944 20 30 CFEDMN C=CCN1C[C@]2(CC1=O)CCCCN2Cc1cccc(C)n1 ZINC001272945121 780343427 /nfs/dbraw/zinc/34/34/27/780343427.db2.gz RXVSMVMWWJZCBM-GOSISDBHSA-N 0 1 299.418 2.533 20 30 CFEDMN C=C(C)CN1C[C@]2(CC1=O)CCCCN2Cc1cccnc1 ZINC001272948640 780353151 /nfs/dbraw/zinc/35/31/51/780353151.db2.gz NODLMVWDDKUXBX-GOSISDBHSA-N 0 1 299.418 2.615 20 30 CFEDMN COc1c(F)ccc(F)c1-c1cc2nc[nH]c2c(C#N)n1 ZINC001240720007 780389965 /nfs/dbraw/zinc/38/99/65/780389965.db2.gz VNMCSVVRRUUVTC-UHFFFAOYSA-N 0 1 286.241 2.783 20 30 CFEDMN C=C(C)CCC(=O)NCCNCc1cc(F)ccc1F ZINC001128405129 780427155 /nfs/dbraw/zinc/42/71/55/780427155.db2.gz PMSCGOPMSQAOSH-UHFFFAOYSA-N 0 1 282.334 2.527 20 30 CFEDMN C=CCN1CC[C@H](NC(=O)[C@@]2(C)CCC(C)=C(C)C2)C1 ZINC001016375446 780432437 /nfs/dbraw/zinc/43/24/37/780432437.db2.gz WUHFNPNNXCKWSY-RDJZCZTQSA-N 0 1 276.424 2.890 20 30 CFEDMN CN1CCN(c2ccc(-c3cncc(CC#N)c3)cc2)CC1 ZINC001240854738 780479505 /nfs/dbraw/zinc/47/95/05/780479505.db2.gz IJIFKLDTIUPCSF-UHFFFAOYSA-N 0 1 292.386 2.566 20 30 CFEDMN C=C(C)CN1CC[C@H](N(C)C(=O)c2sccc2F)C1 ZINC001033059296 780547030 /nfs/dbraw/zinc/54/70/30/780547030.db2.gz VUKCENBPTJOVEW-NSHDSACASA-N 0 1 282.384 2.610 20 30 CFEDMN CC#CCN1CC[C@H](N(C)C(=O)[C@@H]2CCCC3(CC3)C2)C1 ZINC001033075264 780555475 /nfs/dbraw/zinc/55/54/75/780555475.db2.gz FBXXUVLZFZEVCR-CVEARBPZSA-N 0 1 288.435 2.513 20 30 CFEDMN C=CCN1CC[C@@H](N(C)C(=O)c2ccc3occc3c2)C1 ZINC001033096741 780559282 /nfs/dbraw/zinc/55/92/82/780559282.db2.gz CQLPNQCQAJRZTD-OAHLLOKOSA-N 0 1 284.359 2.765 20 30 CFEDMN C=CCN1CC[C@H](N(C)C(=O)[C@H]2CCC(C)=C(C)C2)C1 ZINC001033104913 780564025 /nfs/dbraw/zinc/56/40/25/780564025.db2.gz BWFBGHHEWZHUDT-HOTGVXAUSA-N 0 1 276.424 2.842 20 30 CFEDMN C=CCN1CC[C@H](N(C)C(=O)C(C)(C)C2CCCC2)C1 ZINC001033156336 780585253 /nfs/dbraw/zinc/58/52/53/780585253.db2.gz RSXOQBUKDOBIPA-HNNXBMFYSA-N 0 1 278.440 2.922 20 30 CFEDMN C=CCN1CC[C@@H](N(C)C(=O)c2ccnc3ccccc32)C1 ZINC001033241363 780628466 /nfs/dbraw/zinc/62/84/66/780628466.db2.gz VPPJTOWLTIXUQT-CQSZACIVSA-N 0 1 295.386 2.567 20 30 CFEDMN C#CCN1CC[C@@H](N(C)C(=O)c2ccc(CCCC)cc2)C1 ZINC001033252177 780632862 /nfs/dbraw/zinc/63/28/62/780632862.db2.gz CUBKCZBVFSTYCC-GOSISDBHSA-N 0 1 298.430 2.809 20 30 CFEDMN C=CCN1CC[C@H](N(C)C(=O)C(C)(C)c2cccs2)C1 ZINC001033324113 780651802 /nfs/dbraw/zinc/65/18/02/780651802.db2.gz BXWMMDYEXNQIMM-ZDUSSCGKSA-N 0 1 292.448 2.744 20 30 CFEDMN C=CC(C)(C)C(=O)Nc1ccc(F)c(-c2nc[nH]n2)c1 ZINC001128589245 780656231 /nfs/dbraw/zinc/65/62/31/780656231.db2.gz IVQPDCBCAADREN-UHFFFAOYSA-N 0 1 274.299 2.762 20 30 CFEDMN C=CCN1CC[C@@H](N(C)C(=O)[C@H]2CCCC2(C)C)C1 ZINC001033338588 780660905 /nfs/dbraw/zinc/66/09/05/780660905.db2.gz FZYPTSHZIHNEGY-ZIAGYGMSSA-N 0 1 264.413 2.531 20 30 CFEDMN C=C(C)CN1CC[C@H](N(C)C(=O)c2cccc(F)c2F)C1 ZINC001033374218 780669362 /nfs/dbraw/zinc/66/93/62/780669362.db2.gz YCMKSQVMOVVHDL-LBPRGKRZSA-N 0 1 294.345 2.687 20 30 CFEDMN C#C[C@@](C)(CC)NC(=O)c1ccc(CN(CC)CC)o1 ZINC000700593190 780704282 /nfs/dbraw/zinc/70/42/82/780704282.db2.gz RKLLRZKWNXSGQP-INIZCTEOSA-N 0 1 276.380 2.653 20 30 CFEDMN C#CCN1CC[C@@H](N(C)C(=O)c2cccc(C(C)C)c2)C1 ZINC001033558999 780713463 /nfs/dbraw/zinc/71/34/63/780713463.db2.gz OMAJXNDYFDPHNA-QGZVFWFLSA-N 0 1 284.403 2.590 20 30 CFEDMN C=CCN1CC[C@@H](N(C)C(=O)[C@@H]2C[C@H]2c2ccccc2)C1 ZINC001033599004 780722997 /nfs/dbraw/zinc/72/29/97/780722997.db2.gz OMJYYJVDCZVTOS-IXDOHACOSA-N 0 1 284.403 2.509 20 30 CFEDMN C=CCN1CC[C@@H](N(C)C(=O)c2ccc(Cl)cc2)C1 ZINC001033604026 780726931 /nfs/dbraw/zinc/72/69/31/780726931.db2.gz RFIKFJXVAQDCCO-CQSZACIVSA-N 0 1 278.783 2.672 20 30 CFEDMN C=C(C)CN1CC[C@H](N(C)C(=O)c2c(F)cccc2F)C1 ZINC001033611846 780730735 /nfs/dbraw/zinc/73/07/35/780730735.db2.gz CFKAFTYRXZPPPO-LBPRGKRZSA-N 0 1 294.345 2.687 20 30 CFEDMN C=CCN1CC[C@@H](N(C)C(=O)c2cc3ccccc3[nH]2)C1 ZINC001033641759 780740590 /nfs/dbraw/zinc/74/05/90/780740590.db2.gz CILOESYCTLPBBV-CQSZACIVSA-N 0 1 283.375 2.500 20 30 CFEDMN CC#CCN1CC[C@H](N(C)C(=O)c2ccc(C3CC3)cc2)C1 ZINC001033678380 780747702 /nfs/dbraw/zinc/74/77/02/780747702.db2.gz IWZRJFJURUJQNE-SFHVURJKSA-N 0 1 296.414 2.734 20 30 CFEDMN C=CCN1CC[C@@H](N(C)C(=O)C2(c3cccc(C)c3)CC2)C1 ZINC001033688207 780750550 /nfs/dbraw/zinc/75/05/50/780750550.db2.gz IZWDSLDSDDGZLE-QGZVFWFLSA-N 0 1 298.430 2.745 20 30 CFEDMN C=CCN1CC[C@H](N(C)C(=O)C2(C)CCC(C)CC2)C1 ZINC001033695282 780751956 /nfs/dbraw/zinc/75/19/56/780751956.db2.gz AJIMDJLBVMRUOR-CKDBGZEDSA-N 0 1 278.440 2.922 20 30 CFEDMN C=CCN1CC[C@@H](N(C)C(=O)C2CCC(C)(C)CC2)C1 ZINC001033695190 780753089 /nfs/dbraw/zinc/75/30/89/780753089.db2.gz YUMIRUNMORVBRY-OAHLLOKOSA-N 0 1 278.440 2.922 20 30 CFEDMN CC#CCN1CC[C@H](N(C)C(=O)c2cccc(C3CC3)c2)C1 ZINC001033692134 780754077 /nfs/dbraw/zinc/75/40/77/780754077.db2.gz FTOXGKJGLIQQSC-SFHVURJKSA-N 0 1 296.414 2.734 20 30 CFEDMN CN1CC=C(c2cc(C(F)(F)F)c(C#N)cn2)CC1 ZINC001241310356 780772652 /nfs/dbraw/zinc/77/26/52/780772652.db2.gz BYZJNEJJOUSKPW-UHFFFAOYSA-N 0 1 267.254 2.691 20 30 CFEDMN C=CC[N@@H+]1CC[C@H](N(CC)C(=O)[C@H]2CCCC23CC3)C1 ZINC001033869053 780813071 /nfs/dbraw/zinc/81/30/71/780813071.db2.gz KKYXRKSYMAYRHL-LSDHHAIUSA-N 0 1 276.424 2.676 20 30 CFEDMN C=CCN1CC[C@H](N(CC)C(=O)[C@H]2CCCC23CC3)C1 ZINC001033869053 780813076 /nfs/dbraw/zinc/81/30/76/780813076.db2.gz KKYXRKSYMAYRHL-LSDHHAIUSA-N 0 1 276.424 2.676 20 30 CFEDMN CC#CCN1CC[C@@H](N(CC)C(=O)[C@H]2CCCC23CC3)C1 ZINC001033874376 780815713 /nfs/dbraw/zinc/81/57/13/780815713.db2.gz XHJCNPYZFZHSDU-HZPDHXFCSA-N 0 1 288.435 2.513 20 30 CFEDMN C=CC[N@@H+]1CC[C@H](N(CC)C(=O)c2ccoc2C2CC2)C1 ZINC001033938737 780839102 /nfs/dbraw/zinc/83/91/02/780839102.db2.gz CGUBYUDOFZDBDI-AWEZNQCLSA-N 0 1 288.391 2.879 20 30 CFEDMN C=CCN1CC[C@H](N(CC)C(=O)c2ccoc2C2CC2)C1 ZINC001033938737 780839110 /nfs/dbraw/zinc/83/91/10/780839110.db2.gz CGUBYUDOFZDBDI-AWEZNQCLSA-N 0 1 288.391 2.879 20 30 CFEDMN C=CCN1CC[C@@H](N(CC)C(=O)c2cc(C)cc(F)c2)C1 ZINC001033968362 780840618 /nfs/dbraw/zinc/84/06/18/780840618.db2.gz OXDQYVWGUCABTK-MRXNPFEDSA-N 0 1 290.382 2.857 20 30 CFEDMN COc1cc(C#N)ccc1-c1ccc(CN(C)C)cn1 ZINC001241394852 780847364 /nfs/dbraw/zinc/84/73/64/780847364.db2.gz HDYZZMHTWIBWRR-UHFFFAOYSA-N 0 1 267.332 2.690 20 30 CFEDMN C=CCN1CC[C@@H](N(CC)C(=O)c2ccc(C(F)F)o2)C1 ZINC001034030394 780860502 /nfs/dbraw/zinc/86/05/02/780860502.db2.gz AOTBMLNRAXILSF-LLVKDONJSA-N 0 1 298.333 2.940 20 30 CFEDMN CC#CCN1CC[C@@H](N(CC)C(=O)c2ccc(CC)cc2)C1 ZINC001034037496 780862205 /nfs/dbraw/zinc/86/22/05/780862205.db2.gz XWVQVLYNJAMOLY-GOSISDBHSA-N 0 1 298.430 2.809 20 30 CFEDMN C#CC[N@@H+]1CC[C@H](N(CC)C(=O)c2ccc(C3CC3)cc2)C1 ZINC001034046708 780866574 /nfs/dbraw/zinc/86/65/74/780866574.db2.gz URMINCIPBGEDQS-SFHVURJKSA-N 0 1 296.414 2.734 20 30 CFEDMN C#CCN1CC[C@H](N(CC)C(=O)c2ccc(C3CC3)cc2)C1 ZINC001034046708 780866584 /nfs/dbraw/zinc/86/65/84/780866584.db2.gz URMINCIPBGEDQS-SFHVURJKSA-N 0 1 296.414 2.734 20 30 CFEDMN C=CCN1CCCC[C@@H](NC(=O)c2cccs2)C1 ZINC001034084823 780882050 /nfs/dbraw/zinc/88/20/50/780882050.db2.gz LDNQTIOGMSBCED-GFCCVEGCSA-N 0 1 264.394 2.518 20 30 CFEDMN C=CCN1CCCC[C@H](NC(=O)c2ccoc2Cl)C1 ZINC001034182216 780919993 /nfs/dbraw/zinc/91/99/93/780919993.db2.gz ZJSPIVNNVMQBJM-NSHDSACASA-N 0 1 282.771 2.703 20 30 CFEDMN C=CCN1CCCC[C@H](NC(=O)c2sccc2F)C1 ZINC001034200512 780921296 /nfs/dbraw/zinc/92/12/96/780921296.db2.gz DUFJEXGCBDBXRB-NSHDSACASA-N 0 1 282.384 2.658 20 30 CFEDMN CC#CCN1CCC(C)(NC(=O)c2cc(C)oc2C)CC1 ZINC001045361388 780924314 /nfs/dbraw/zinc/92/43/14/780924314.db2.gz BBKXSTXOSRYWJN-UHFFFAOYSA-N 0 1 288.391 2.504 20 30 CFEDMN C#CCN1CCCC[C@@H](NC(=O)[C@H]2CCC(C)=C(C)C2)C1 ZINC001034222489 780927491 /nfs/dbraw/zinc/92/74/91/780927491.db2.gz FMEBQXYPUSCLDB-DLBZAZTESA-N 0 1 288.435 2.727 20 30 CFEDMN C=CC(C)(C)C(=O)NC[C@@]1(C)CN(CCCCC)CCO1 ZINC001108122577 780933332 /nfs/dbraw/zinc/93/33/32/780933332.db2.gz UWHDIJYQQAAWBS-KRWDZBQOSA-N 0 1 296.455 2.596 20 30 CFEDMN CC#CCN1CCCC[C@H](NC(=O)C[C@H]2C=CCCC2)C1 ZINC001034266475 780935583 /nfs/dbraw/zinc/93/55/83/780935583.db2.gz OKFNQKQDJDARHP-IRXDYDNUSA-N 0 1 288.435 2.727 20 30 CFEDMN C=CCN1CCCC[C@H](NC(=O)c2nc(C)sc2C)C1 ZINC001034269318 780937085 /nfs/dbraw/zinc/93/70/85/780937085.db2.gz RJMZJOHXRKVEOO-ZDUSSCGKSA-N 0 1 293.436 2.530 20 30 CFEDMN C=CCN1CCCC[C@@H](NC(=O)c2cc3ncccc3o2)C1 ZINC001034315124 780944450 /nfs/dbraw/zinc/94/44/50/780944450.db2.gz JOLRLNKTAHFJAP-CYBMUJFWSA-N 0 1 299.374 2.598 20 30 CFEDMN CC#CCN1CCCC[C@@H](NC(=O)Cc2cccc(C)c2)C1 ZINC001034374701 780956430 /nfs/dbraw/zinc/95/64/30/780956430.db2.gz DOVVMSMFOBUZRU-GOSISDBHSA-N 0 1 298.430 2.532 20 30 CFEDMN C=CC[N@@H+]1CCCC[C@@H](NC(=O)Cc2cccc(C)c2)C1 ZINC001034376298 780960658 /nfs/dbraw/zinc/96/06/58/780960658.db2.gz VEPKCAXGOLRNIN-QGZVFWFLSA-N 0 1 286.419 2.694 20 30 CFEDMN C=CCN1CCCC[C@@H](NC(=O)c2occc2CC)C1 ZINC001034386848 780962590 /nfs/dbraw/zinc/96/25/90/780962590.db2.gz GNTAHVSCMDKPHD-CQSZACIVSA-N 0 1 276.380 2.612 20 30 CFEDMN C=CCN1CCCC[C@H](NC(=O)c2ccc(Cl)cn2)C1 ZINC001034497186 780984076 /nfs/dbraw/zinc/98/40/76/780984076.db2.gz PJQIGMBBTBEDHQ-ZDUSSCGKSA-N 0 1 293.798 2.505 20 30 CFEDMN CC#CCN1CCCC[C@H](NC(=O)c2ccc(C)cc2)C1 ZINC001034500456 780989571 /nfs/dbraw/zinc/98/95/71/780989571.db2.gz BKOAHKCEMHIGGW-KRWDZBQOSA-N 0 1 284.403 2.603 20 30 CFEDMN C#CCN1CCCC[C@@H](NC(=O)[C@H](C)c2ccccc2C)C1 ZINC001034537095 780994388 /nfs/dbraw/zinc/99/43/88/780994388.db2.gz KPUDVFIKBGOHBJ-IAGOWNOFSA-N 0 1 298.430 2.702 20 30 CFEDMN C#CCN1CCCC[C@@H](NC(=O)c2ccc(C3CC3)cc2)C1 ZINC001034541077 780995858 /nfs/dbraw/zinc/99/58/58/780995858.db2.gz MKPVSZFNEFQYMD-GOSISDBHSA-N 0 1 296.414 2.782 20 30 CFEDMN C#CCN1CCCC[C@H](NC(=O)C2(C)CCC(C)CC2)C1 ZINC001034545833 780996820 /nfs/dbraw/zinc/99/68/20/780996820.db2.gz BHZQDWNLEVBPCH-PQUAAJSLSA-N 0 1 290.451 2.807 20 30 CFEDMN Cn1cc2cc(-c3nccc4[nH]cc(C#N)c43)ccc2n1 ZINC001241606288 781013411 /nfs/dbraw/zinc/01/34/11/781013411.db2.gz WCYKGTUERKCPNL-UHFFFAOYSA-N 0 1 273.299 2.988 20 30 CFEDMN Cc1n[nH]c2ccc(-c3cc4[nH]cnc4c(C#N)n3)cc12 ZINC001241666645 781059380 /nfs/dbraw/zinc/05/93/80/781059380.db2.gz IRKCPMTWDFCGQT-UHFFFAOYSA-N 0 1 274.287 2.681 20 30 CFEDMN C#CCN1CCC(C)(NC(=O)c2ccc(C)cc2C)CC1 ZINC001045632686 781095171 /nfs/dbraw/zinc/09/51/71/781095171.db2.gz QXVBNDOVMIZHOJ-UHFFFAOYSA-N 0 1 284.403 2.521 20 30 CFEDMN CC#CCN1CC2(C1)CCN(C(=O)C1CCCCC1)CC2 ZINC001035638307 781153165 /nfs/dbraw/zinc/15/31/65/781153165.db2.gz OJGJDOMJXNFBFI-UHFFFAOYSA-N 0 1 288.435 2.514 20 30 CFEDMN C=CCN1CC2(C1)CCN(C(=O)c1ccccc1C)CC2 ZINC001035638886 781153755 /nfs/dbraw/zinc/15/37/55/781153755.db2.gz XLEJAJGRCNTLQI-UHFFFAOYSA-N 0 1 284.403 2.719 20 30 CFEDMN C#CCN1CC2(C1)CCN(C(=O)CC1(C)CCCC1)CC2 ZINC001035697480 781159918 /nfs/dbraw/zinc/15/99/18/781159918.db2.gz GSIUXVRPDKHQRY-UHFFFAOYSA-N 0 1 288.435 2.514 20 30 CFEDMN C=CCN1CC2(C1)CCN(C(=O)[C@@H]1CCCC13CC3)CC2 ZINC001035732305 781161471 /nfs/dbraw/zinc/16/14/71/781161471.db2.gz YJOVUONDBOESER-HNNXBMFYSA-N 0 1 288.435 2.677 20 30 CFEDMN C=CCN1CC2(C1)CCN(C(=O)C[C@H]1C=CCCC1)CC2 ZINC001035730768 781161510 /nfs/dbraw/zinc/16/15/10/781161510.db2.gz VGQRTERDOKBGHD-INIZCTEOSA-N 0 1 288.435 2.843 20 30 CFEDMN C=CCN1CC2(C1)CCN(C(=O)C(C)(C)C1CCC1)CC2 ZINC001035759334 781164094 /nfs/dbraw/zinc/16/40/94/781164094.db2.gz FHAYFMIPFUZULT-UHFFFAOYSA-N 0 1 290.451 2.923 20 30 CFEDMN C=CCN1CC2(C1)CCN(C(=O)C1(C)CCCC1)CC2 ZINC001035763690 781165534 /nfs/dbraw/zinc/16/55/34/781165534.db2.gz NUDIOYSUDFFGRO-UHFFFAOYSA-N 0 1 276.424 2.677 20 30 CFEDMN C=CCN1CC2(C1)CCN(C(=O)[C@@H]1CCCC1(C)C)CC2 ZINC001035771075 781166141 /nfs/dbraw/zinc/16/61/41/781166141.db2.gz PJUURZAHLVVDMX-HNNXBMFYSA-N 0 1 290.451 2.923 20 30 CFEDMN C=CCN1CC2(C1)CCN(C(=O)[C@@H]1CCC[C@@H](C)C1)CC2 ZINC001035781555 781168134 /nfs/dbraw/zinc/16/81/34/781168134.db2.gz PZMOBWZTRCLDLU-HZPDHXFCSA-N 0 1 290.451 2.923 20 30 CFEDMN C=CCN1CC2(C1)CCN(C(=O)[C@@H]1C[C@]1(C)C(C)C)CC2 ZINC001035828875 781175702 /nfs/dbraw/zinc/17/57/02/781175702.db2.gz UUNSXQUHZQWEER-DOTOQJQBSA-N 0 1 290.451 2.779 20 30 CFEDMN N#Cc1ncc(-c2ccc3nn[nH]c3c2)cc1C(F)(F)F ZINC001241940494 781194747 /nfs/dbraw/zinc/19/47/47/781194747.db2.gz ICCQFHJCZQUBOD-UHFFFAOYSA-N 0 1 289.220 2.910 20 30 CFEDMN N#Cc1ncc(-c2ccc3[nH]nnc3c2)cc1C(F)(F)F ZINC001241940494 781194743 /nfs/dbraw/zinc/19/47/43/781194743.db2.gz ICCQFHJCZQUBOD-UHFFFAOYSA-N 0 1 289.220 2.910 20 30 CFEDMN COc1ccncc1-c1nccc2[nH]cc(C#N)c21 ZINC001242055912 781250764 /nfs/dbraw/zinc/25/07/64/781250764.db2.gz SQDGZJPVRRFDIR-UHFFFAOYSA-N 0 1 250.261 2.505 20 30 CFEDMN Cc1cc(-c2cc3[nH]cnc3c(C#N)n2)ccc1O ZINC001242102504 781279288 /nfs/dbraw/zinc/27/92/88/781279288.db2.gz JNXZOUIJPOJMHW-UHFFFAOYSA-N 0 1 250.261 2.511 20 30 CFEDMN CCOC(=O)c1cc2[nH]c(-c3cncc(C#N)c3)ccc-2n1 ZINC001242270806 781353935 /nfs/dbraw/zinc/35/39/35/781353935.db2.gz LENXASRSTFEFGN-UHFFFAOYSA-N 0 1 292.298 2.673 20 30 CFEDMN COc1ncc(-c2cc3cn[nH]c3cc2C)cc1C#N ZINC001242283011 781365583 /nfs/dbraw/zinc/36/55/83/781365583.db2.gz HNPFOCPTDAUWFF-UHFFFAOYSA-N 0 1 264.288 2.814 20 30 CFEDMN C=CCNC(=O)c1cccnc1-c1cccc(F)c1O ZINC001242350985 781422391 /nfs/dbraw/zinc/42/23/91/781422391.db2.gz XDWXGMWBYDXVOW-UHFFFAOYSA-N 0 1 272.279 2.509 20 30 CFEDMN C=C(Cl)CN1CC[C@@H]2CN(C(=O)C=C3CCC3)CC[C@H]21 ZINC001036688837 781424613 /nfs/dbraw/zinc/42/46/13/781424613.db2.gz YRZYKJYQHRTPIR-HUUCEWRRSA-N 0 1 294.826 2.772 20 30 CFEDMN C=CCCN1CCO[C@@](C)(CNC(=O)C(C)(C)CCC)C1 ZINC001108177309 781455120 /nfs/dbraw/zinc/45/51/20/781455120.db2.gz UAHWGPZMEBRROT-KRWDZBQOSA-N 0 1 296.455 2.596 20 30 CFEDMN CC(=O)c1ccc(-c2nccc3[nH]cc(C#N)c32)cn1 ZINC001242399896 781465157 /nfs/dbraw/zinc/46/51/57/781465157.db2.gz YOFMWLSGTWDAAZ-UHFFFAOYSA-N 0 1 262.272 2.699 20 30 CFEDMN COC(=O)c1nc2ccc(-c3ccc(C#N)cc3C)nc2[nH]1 ZINC001242474001 781529170 /nfs/dbraw/zinc/52/91/70/781529170.db2.gz HADUCNUKKDTKCD-UHFFFAOYSA-N 0 1 292.298 2.543 20 30 CFEDMN Cn1c2ccccc2cc(-c2ccc(O)c(C#N)c2)c1=O ZINC001242565167 781603555 /nfs/dbraw/zinc/60/35/55/781603555.db2.gz OVRQXWVBBZHHDG-UHFFFAOYSA-N 0 1 276.295 2.783 20 30 CFEDMN N#Cc1cc(-c2ccccc2C2([NH3+])CC2)ccc1[O-] ZINC001242566545 781606782 /nfs/dbraw/zinc/60/67/82/781606782.db2.gz FCVDHFYFTCHWQU-UHFFFAOYSA-N 0 1 250.301 2.879 20 30 CFEDMN C=CCN1C[C@@H](C)[C@H](NC(=O)C(C)(C)C2CCCC2)C1 ZINC001079866617 781624159 /nfs/dbraw/zinc/62/41/59/781624159.db2.gz PYRQKERJAKVJDQ-UKRRQHHQSA-N 0 1 278.440 2.825 20 30 CFEDMN C=CCN1C[C@@H](C)[C@H](NC(=O)C2(c3ccccc3)CCC2)C1 ZINC001080082007 781633827 /nfs/dbraw/zinc/63/38/27/781633827.db2.gz ZKFHICNYXZYOMT-NVXWUHKLSA-N 0 1 298.430 2.731 20 30 CFEDMN C=CCN1C[C@@H](C)[C@H](NC(=O)c2cc(Cl)ccc2F)C1 ZINC001080080033 781634334 /nfs/dbraw/zinc/63/43/34/781634334.db2.gz ODBKGTPQFAHRBL-QMTHXVAHSA-N 0 1 296.773 2.715 20 30 CFEDMN C=CCN1C[C@@H](C)[C@H](NC(=O)c2ccccc2CCC)C1 ZINC001080095838 781635831 /nfs/dbraw/zinc/63/58/31/781635831.db2.gz FVZKFSRAJFNMAC-RHSMWYFYSA-N 0 1 286.419 2.875 20 30 CFEDMN C=CCN1C[C@@H](C)[C@H](NC(=O)c2cc(C(C)C)oc2C)C1 ZINC001080698940 781674566 /nfs/dbraw/zinc/67/45/66/781674566.db2.gz OUKVZDMWYKJHAC-IUODEOHRSA-N 0 1 290.407 2.948 20 30 CFEDMN C=CCN1C[C@@H](C)[C@H](NC(=O)c2ncsc2C(C)C)C1 ZINC001080762733 781677586 /nfs/dbraw/zinc/67/75/86/781677586.db2.gz KBLLTIDIBHYFEM-VXGBXAGGSA-N 0 1 293.436 2.503 20 30 CFEDMN COC(=O)c1nc2ccc(C3=CC(=O)C[C@@H](C)C3)cc2[nH]1 ZINC001242740550 781733526 /nfs/dbraw/zinc/73/35/26/781733526.db2.gz CVEKSNUJOMVYBJ-VIFPVBQESA-N 0 1 284.315 2.732 20 30 CFEDMN C=C(Cl)CN[C@@H]1CN(C(=O)[C@@H]2C[C@H]2CC(C)C)C[C@H]1C ZINC001082752442 781742443 /nfs/dbraw/zinc/74/24/43/781742443.db2.gz IGVGWXIWGBMFPG-NMFUWQPSSA-N 0 1 298.858 2.858 20 30 CFEDMN C#CCN(CC[C@](C#N)(C(C)=O)c1ccccc1)CC1CC1 ZINC001119252750 781752467 /nfs/dbraw/zinc/75/24/67/781752467.db2.gz OIXRYWWBMLZFNC-IBGZPJMESA-N 0 1 294.398 2.772 20 30 CFEDMN COc1ccnc(-c2cccc(O)c2Cl)c1C#N ZINC001242798305 781764281 /nfs/dbraw/zinc/76/42/81/781764281.db2.gz RBWJMWYXAKLRNC-UHFFFAOYSA-N 0 1 260.680 2.988 20 30 CFEDMN COc1cnc(-c2cccc(O)c2Cl)c(C#N)c1 ZINC001242798362 781764337 /nfs/dbraw/zinc/76/43/37/781764337.db2.gz UJLJTFJXQZZOQW-UHFFFAOYSA-N 0 1 260.680 2.988 20 30 CFEDMN COc1c(F)cc(F)cc1-c1cc2[nH]cnc2c(C#N)n1 ZINC001242806953 781771452 /nfs/dbraw/zinc/77/14/52/781771452.db2.gz BJQYIHMFIKXRKO-UHFFFAOYSA-N 0 1 286.241 2.783 20 30 CFEDMN C=C(C)CN1CC[C@@H]2CN(C(=O)C3(C)CCCC3)[C@@H]2C1 ZINC001084555698 781801839 /nfs/dbraw/zinc/80/18/39/781801839.db2.gz PCEYVDZHFPFRSU-HUUCEWRRSA-N 0 1 276.424 2.676 20 30 CFEDMN C=CCN1CC[C@@H]2CN(C(=O)c3c(C)cccc3C)[C@@H]2C1 ZINC001084679848 781819117 /nfs/dbraw/zinc/81/91/17/781819117.db2.gz MMSCGXNPKCAFIT-HZPDHXFCSA-N 0 1 284.403 2.636 20 30 CFEDMN C=CC[N@@H+]1CC[C@@H]2CN(C(=O)[C@@H](C)c3ccc(C)cc3)[C@@H]2C1 ZINC001084783070 781833981 /nfs/dbraw/zinc/83/39/81/781833981.db2.gz WPEQUZRCWRKCBQ-CGTJXYLNSA-N 0 1 298.430 2.817 20 30 CFEDMN C=CCN1CC[C@@H]2CN(C(=O)[C@@H](C)c3ccc(C)cc3)[C@@H]2C1 ZINC001084783070 781833984 /nfs/dbraw/zinc/83/39/84/781833984.db2.gz WPEQUZRCWRKCBQ-CGTJXYLNSA-N 0 1 298.430 2.817 20 30 CFEDMN C=CCN1CC[C@@H]2CN(C(=O)c3cc(C)ccc3C)[C@@H]2C1 ZINC001084796004 781837969 /nfs/dbraw/zinc/83/79/69/781837969.db2.gz GHUJRCWLBBQRQV-NVXWUHKLSA-N 0 1 284.403 2.636 20 30 CFEDMN C=CCN1CC[C@@H]2CN(C(=O)[C@H]3CC4CCC3CC4)[C@@H]2C1 ZINC001084855686 781846755 /nfs/dbraw/zinc/84/67/55/781846755.db2.gz DIXYYDRYHOLTKL-GADNRMJZSA-N 0 1 288.435 2.531 20 30 CFEDMN C=CCC[N@@H+]1CC[C@H]1CN(C)C(=O)C(CC)CC ZINC001230834952 781875280 /nfs/dbraw/zinc/87/52/80/781875280.db2.gz PVTCPTTUWFEDQJ-AWEZNQCLSA-N 0 1 252.402 2.531 20 30 CFEDMN Cc1c(CNCc2ccc(C(C)(C)C#N)cc2)cnn1C ZINC000594503794 349433843 /nfs/dbraw/zinc/43/38/43/349433843.db2.gz BNMJXOFFNXYCTL-UHFFFAOYSA-N 0 1 282.391 2.820 20 30 CFEDMN Cc1n[nH]cc1CNC(C)(C)c1cccc(C#N)c1 ZINC000594966898 349534155 /nfs/dbraw/zinc/53/41/55/349534155.db2.gz CJJDBENHIKRLOG-UHFFFAOYSA-N 0 1 254.337 2.615 20 30 CFEDMN Cc1nn(C)cc1CNC(C)(C)c1cccc(C#N)c1 ZINC000594966856 349534318 /nfs/dbraw/zinc/53/43/18/349534318.db2.gz BCKLNCIISHLTGV-UHFFFAOYSA-N 0 1 268.364 2.625 20 30 CFEDMN C[C@@H](N[C@@H]1CCCn2nccc21)c1cccc(C#N)c1 ZINC000595024890 349553609 /nfs/dbraw/zinc/55/36/09/349553609.db2.gz HOUJGXRONQYONT-IUODEOHRSA-N 0 1 266.348 2.940 20 30 CFEDMN N#Cc1csc(CN[C@@H]2[C@@H]3Cc4cc(F)ccc4[C@@H]32)n1 ZINC000594996614 349542182 /nfs/dbraw/zinc/54/21/82/349542182.db2.gz UBMIBUYETVBSCM-VHDGCEQUSA-N 0 1 285.347 2.582 20 30 CFEDMN CC[C@@H]1CN(CCc2ccc(C#N)cc2)C[C@H](C)O1 ZINC000595318221 349601295 /nfs/dbraw/zinc/60/12/95/349601295.db2.gz SLVODTBERLGRRS-XJKSGUPXSA-N 0 1 258.365 2.600 20 30 CFEDMN CO[C@@H](CN(CCC#N)CC1CC1)C1CCCC1 ZINC000595332551 349603515 /nfs/dbraw/zinc/60/35/15/349603515.db2.gz KHYQTSBPLJGVOV-HNNXBMFYSA-N 0 1 250.386 2.817 20 30 CFEDMN CCN(C[C@H](C)C#N)C[C@@H]1CCCN(C(=O)C(C)(C)C)C1 ZINC000595297699 349596018 /nfs/dbraw/zinc/59/60/18/349596018.db2.gz JLSVQZIOSIVEEB-CABCVRRESA-N 0 1 293.455 2.753 20 30 CFEDMN CCN(C[C@@H](C)C#N)C[C@@H]1CCCN(C(=O)C(C)(C)C)C1 ZINC000595297700 349596073 /nfs/dbraw/zinc/59/60/73/349596073.db2.gz JLSVQZIOSIVEEB-GJZGRUSLSA-N 0 1 293.455 2.753 20 30 CFEDMN CC[C@@H](OC)C(=O)Nc1nc(-c2ccc(C)cc2)n[nH]1 ZINC000068422491 346852185 /nfs/dbraw/zinc/85/21/85/346852185.db2.gz VHKJRCPMXKNEEE-LLVKDONJSA-N 0 1 274.324 2.793 20 30 CFEDMN CCC(N)=NOCc1ccc(SC)c(OC)c1 ZINC000068775093 346868684 /nfs/dbraw/zinc/86/86/84/346868684.db2.gz CHZDJKAGICECEY-UHFFFAOYSA-N 0 1 254.355 2.616 20 30 CFEDMN CN(CCC(C)(C)C#N)[C@@H](c1nnc[nH]1)c1ccccc1 ZINC000595522414 349650326 /nfs/dbraw/zinc/65/03/26/349650326.db2.gz BHCISFIJSFPNKZ-CQSZACIVSA-N 0 1 283.379 2.766 20 30 CFEDMN N#Cc1ccc(CCN2CCOC[C@H]2CC2CCC2)cc1 ZINC000595504663 349644169 /nfs/dbraw/zinc/64/41/69/349644169.db2.gz GEUXAVROFGPGRL-GOSISDBHSA-N 0 1 284.403 2.992 20 30 CFEDMN CCN(CCCCC#N)[C@H](C)C(=O)OC(C)(C)C ZINC000595597303 349669923 /nfs/dbraw/zinc/66/99/23/349669923.db2.gz XJTQNOFMNKMJAS-GFCCVEGCSA-N 0 1 254.374 2.732 20 30 CFEDMN CC[C@@H]1OCCC[C@H]1C(=O)Nc1nc(C2CCC2)n[nH]1 ZINC000330263051 529468220 /nfs/dbraw/zinc/46/82/20/529468220.db2.gz WAUGUEVZHVHXLU-MNOVXSKESA-N 0 1 278.356 2.865 20 30 CFEDMN CC[C@@H]1OCCC[C@H]1C(=O)Nc1n[nH]c(C2CCC2)n1 ZINC000330263051 529468223 /nfs/dbraw/zinc/46/82/23/529468223.db2.gz WAUGUEVZHVHXLU-MNOVXSKESA-N 0 1 278.356 2.865 20 30 CFEDMN CN(Cc1cccc(C#N)c1F)[C@H](CO)Cc1ccccc1 ZINC000595593911 349667915 /nfs/dbraw/zinc/66/79/15/349667915.db2.gz ZOAAKRAXKOWYKT-KRWDZBQOSA-N 0 1 298.361 2.733 20 30 CFEDMN CC(C)(C#N)CCC[N@H+]1CCO[C@@](C)(C2CC2)C1 ZINC000595618285 349678855 /nfs/dbraw/zinc/67/88/55/349678855.db2.gz NDNDTLGLLZGHQO-OAHLLOKOSA-N 0 1 250.386 2.817 20 30 CFEDMN C=CCN(Cc1ccc([N+](=O)[O-])c(OC)c1)[C@H](C)COC ZINC000595638680 349685883 /nfs/dbraw/zinc/68/58/83/349685883.db2.gz KVTSPTVUBLVHIB-GFCCVEGCSA-N 0 1 294.351 2.626 20 30 CFEDMN C[C@@]12COC[C@]1(C)C[N@H+](Cc1ccc(C#N)c(F)c1)C2 ZINC000595690093 349701974 /nfs/dbraw/zinc/70/19/74/349701974.db2.gz UHTMWMSHMYHTNT-IYBDPMFKSA-N 0 1 274.339 2.556 20 30 CFEDMN C[C@@]12COC[C@]1(C)CN(Cc1ccc(C#N)c(F)c1)C2 ZINC000595690093 349701977 /nfs/dbraw/zinc/70/19/77/349701977.db2.gz UHTMWMSHMYHTNT-IYBDPMFKSA-N 0 1 274.339 2.556 20 30 CFEDMN CC[C@@]1(C)CCN(CC(=O)N(C)C2(C#N)CCCCC2)C1 ZINC000344275400 529527133 /nfs/dbraw/zinc/52/71/33/529527133.db2.gz SAGVMFLHMAWTJG-INIZCTEOSA-N 0 1 291.439 2.793 20 30 CFEDMN C[C@H]1CCCN(Cc2cc(F)ccc2C#N)[C@@H]1CCO ZINC000595701094 349709678 /nfs/dbraw/zinc/70/96/78/349709678.db2.gz PQMGYPYVXXKLDC-BLLLJJGKSA-N 0 1 276.355 2.680 20 30 CFEDMN CN(c1ccccc1)[C@H]1CCN(Cc2ccnc(C#N)c2)C1 ZINC000595824938 349743286 /nfs/dbraw/zinc/74/32/86/349743286.db2.gz ALVMVYNAQPRBMT-SFHVURJKSA-N 0 1 292.386 2.664 20 30 CFEDMN COc1ccc(CN2CCC(c3ccon3)CC2)cc1C#N ZINC000595828825 349744864 /nfs/dbraw/zinc/74/48/64/349744864.db2.gz NHJXXXJHBTZABQ-UHFFFAOYSA-N 0 1 297.358 2.934 20 30 CFEDMN COc1cc(C#N)ccc1CN(C)CC1=CCSC1 ZINC000595888778 349761586 /nfs/dbraw/zinc/76/15/86/349761586.db2.gz ONEVZMQWSRMQKK-UHFFFAOYSA-N 0 1 274.389 2.672 20 30 CFEDMN Cc1cnn(CCCCCN2CC[C@](C)(C#N)C2)c1 ZINC000595839839 349750652 /nfs/dbraw/zinc/75/06/52/349750652.db2.gz MIMPHSKQHHPSQB-OAHLLOKOSA-N 0 1 260.385 2.597 20 30 CFEDMN CO[C@H](CNC[C@H](C#N)CCC#N)C1CCCCC1 ZINC000596045828 349779924 /nfs/dbraw/zinc/77/99/24/349779924.db2.gz GRGQZGCDHRNPRP-DZGCQCFKSA-N 0 1 263.385 2.615 20 30 CFEDMN Cc1ccccc1[C@H](N)C(=O)NCC1(C#N)CCCCC1 ZINC000595944736 349772162 /nfs/dbraw/zinc/77/21/62/349772162.db2.gz WRWROHBECDRUPJ-HNNXBMFYSA-N 0 1 285.391 2.585 20 30 CFEDMN CCC(CC)CN(CCC#N)Cc1ccn(C)c(=O)c1 ZINC000072692852 346936435 /nfs/dbraw/zinc/93/64/35/346936435.db2.gz RVTHFAQHCYNJJN-UHFFFAOYSA-N 0 1 275.396 2.537 20 30 CFEDMN N#Cc1ccc(Cl)cc1NCc1n[nH]c(C2CC2)n1 ZINC000295015969 199301448 /nfs/dbraw/zinc/30/14/48/199301448.db2.gz TYPNPUJFAURNQD-UHFFFAOYSA-N 0 1 273.727 2.819 20 30 CFEDMN CCc1nccn1[C@@H]1CCCN(C([O-])=[NH+]C2CC(C)C2)C1 ZINC000330019352 529760149 /nfs/dbraw/zinc/76/01/49/529760149.db2.gz UYKWPWSSCXKPQP-JXQTWKCFSA-N 0 1 290.411 2.795 20 30 CFEDMN C[C@](O)(CNc1nc(C#N)c(Cl)s1)C1CCCCC1 ZINC000596208645 349826973 /nfs/dbraw/zinc/82/69/73/349826973.db2.gz UMBPPZZIEXDPTN-ZDUSSCGKSA-N 0 1 299.827 2.833 20 30 CFEDMN C[N@H+]1CCCC(C)(C)[C@H]1CN=c1[n-]c(C#N)c(Cl)s1 ZINC000596216721 349829300 /nfs/dbraw/zinc/82/93/00/349829300.db2.gz LCQAFMRNWMEILE-SNVBAGLBSA-N 0 1 298.843 2.622 20 30 CFEDMN COc1cc(CN(C)[C@H](CO)c2ccccc2)ccc1C#N ZINC000295073213 199331308 /nfs/dbraw/zinc/33/13/08/199331308.db2.gz PLIZOOIGDCHRGI-QGZVFWFLSA-N 0 1 296.370 2.732 20 30 CFEDMN N#Cc1nc(N[C@@H](CO)CC2CCCCC2)sc1Cl ZINC000596276572 349850718 /nfs/dbraw/zinc/85/07/18/349850718.db2.gz DMUBGUHYXYZICE-SNVBAGLBSA-N 0 1 299.827 2.833 20 30 CFEDMN COC[C@H](CC(C)(C)C)Nc1nc(C#N)c(Cl)s1 ZINC000596296363 349855617 /nfs/dbraw/zinc/85/56/17/349855617.db2.gz IFLJCGRONCXQOV-QMMMGPOBSA-N 0 1 287.816 2.953 20 30 CFEDMN N#Cc1ccncc1NC[C@H]1CCN1Cc1ccccc1 ZINC000596559426 349942007 /nfs/dbraw/zinc/94/20/07/349942007.db2.gz YGWOTKNDWJCPMN-MRXNPFEDSA-N 0 1 278.359 2.640 20 30 CFEDMN C[C@H](C#N)Sc1nc(C=Cc2ccccc2)n[nH]1 ZINC000012834915 346232257 /nfs/dbraw/zinc/23/22/57/346232257.db2.gz KZOAHOVMJCLVGD-QROSGCPLSA-N 0 1 256.334 2.979 20 30 CFEDMN CC1(C)OCC[C@@H]1NCc1ccc(Cl)cc1C#N ZINC000295129040 199360474 /nfs/dbraw/zinc/36/04/74/199360474.db2.gz AQXJGRZYKKFSJW-ZDUSSCGKSA-N 0 1 264.756 2.869 20 30 CFEDMN C=CC[C@H]1CCCN(Cc2cn(Cc3cccnc3)nn2)C1 ZINC000668492753 539533332 /nfs/dbraw/zinc/53/33/32/539533332.db2.gz FOOIMMYMLPZHGG-HNNXBMFYSA-N 0 1 297.406 2.510 20 30 CFEDMN CN(C)[C@@H](C/N=C/c1cccc(O)c1O)c1cccs1 ZINC000022729196 346250126 /nfs/dbraw/zinc/25/01/26/346250126.db2.gz IIOZAERNHUZAPC-RGZVIEDOSA-N 0 1 290.388 2.881 20 30 CFEDMN CCCc1cc(C(=O)N(C)Cc2cccc(C#N)c2)n[nH]1 ZINC000025104593 346258134 /nfs/dbraw/zinc/25/81/34/346258134.db2.gz XKZHMXYJXTXNKZ-UHFFFAOYSA-N 0 1 282.347 2.506 20 30 CFEDMN C[C@@H](CC#N)c1nc(-c2ccc(F)c(CN(C)C)c2)no1 ZINC000596582934 349947618 /nfs/dbraw/zinc/94/76/18/349947618.db2.gz PJCDRHPCRANWMV-JTQLQIEISA-N 0 1 288.326 2.954 20 30 CFEDMN Cc1cccc(CN2CCN(c3cc(C#N)ccn3)CC2)c1 ZINC000029445749 346281554 /nfs/dbraw/zinc/28/15/54/346281554.db2.gz IODKCQGNYAMOBB-UHFFFAOYSA-N 0 1 292.386 2.584 20 30 CFEDMN CN(Cc1ccc(C#N)cc1)C(=O)c1[nH]nc2ccccc21 ZINC000032617347 346306161 /nfs/dbraw/zinc/30/61/61/346306161.db2.gz MJDFOLRAHIHZLJ-UHFFFAOYSA-N 0 1 290.326 2.707 20 30 CFEDMN COc1ccc(OC)c(CN(CCCC#N)C2CC2)c1 ZINC000045914954 346416787 /nfs/dbraw/zinc/41/67/87/346416787.db2.gz JWBYVOWLKTVALU-UHFFFAOYSA-N 0 1 274.364 2.972 20 30 CFEDMN CCN(C[C@H](C)C#N)C(=O)c1cc(-c2ccccc2)[nH]n1 ZINC000047534152 346453338 /nfs/dbraw/zinc/45/33/38/346453338.db2.gz XZCBIKSLKKVENM-GFCCVEGCSA-N 0 1 282.347 2.698 20 30 CFEDMN CC(C)[C@@](C)(C#N)NC(=O)CN(C)[C@@H](C)c1ccccc1 ZINC000048434044 346473551 /nfs/dbraw/zinc/47/35/51/346473551.db2.gz HFLIXQNIMPBISX-WMLDXEAASA-N 0 1 287.407 2.734 20 30 CFEDMN C=C(C)CN(CC)C(=O)CN(CC)CCc1ccccc1 ZINC000051923666 346508586 /nfs/dbraw/zinc/50/85/86/346508586.db2.gz WWWMIFKTOFAXAK-UHFFFAOYSA-N 0 1 288.435 2.976 20 30 CFEDMN N#CCCN(C(=O)CN1CCCCCC1)c1ccccc1 ZINC000058873643 346651968 /nfs/dbraw/zinc/65/19/68/346651968.db2.gz MXOGCGDOTUAVFJ-UHFFFAOYSA-N 0 1 285.391 2.809 20 30 CFEDMN C=C(C)CN(CC)CC(=O)N[C@@H]1CCCC[C@@H]1C ZINC000060935106 346672828 /nfs/dbraw/zinc/67/28/28/346672828.db2.gz RYVDQWXIASLEOW-UONOGXRCSA-N 0 1 252.402 2.579 20 30 CFEDMN C=C(C)CN(CC)CC(=O)N(C)C1(C#N)CCCCC1 ZINC000061758727 346683136 /nfs/dbraw/zinc/68/31/36/346683136.db2.gz CXUKGQTUOFDVKY-UHFFFAOYSA-N 0 1 277.412 2.569 20 30 CFEDMN C=C(C)COc1cccc(NC(=O)CN(C)C(C)C)c1 ZINC000066727018 346775101 /nfs/dbraw/zinc/77/51/01/346775101.db2.gz YSEMKTGXCJIRDH-UHFFFAOYSA-N 0 1 276.380 2.920 20 30 CFEDMN CC(C)NC(=O)CCN1CCC[C@@H]1[C@@H](C#N)c1ccccc1 ZINC000076153820 347126881 /nfs/dbraw/zinc/12/68/81/347126881.db2.gz VRECERRCBDUNSQ-DLBZAZTESA-N 0 1 299.418 2.673 20 30 CFEDMN C[C@H](C(=O)N(CCC#N)c1ccc(F)cc1)N1CCCC1 ZINC000078605657 347265127 /nfs/dbraw/zinc/26/51/27/347265127.db2.gz QYDSYDAUIUHVKD-CYBMUJFWSA-N 0 1 289.354 2.557 20 30 CFEDMN Cc1cc([C@H](C#N)C(=O)c2cc(C#N)cs2)nc(C)n1 ZINC000083938179 347454837 /nfs/dbraw/zinc/45/48/37/347454837.db2.gz OWWRUOASQVZCTP-NSHDSACASA-N 0 1 282.328 2.517 20 30 CFEDMN Cc1cc(C(C#N)C(=O)c2cc(C#N)cs2)nc(C)n1 ZINC000083938179 347454842 /nfs/dbraw/zinc/45/48/42/347454842.db2.gz OWWRUOASQVZCTP-NSHDSACASA-N 0 1 282.328 2.517 20 30 CFEDMN CCN(CCC#N)C(=O)CCc1nc2cccc(C)c2[nH]1 ZINC000084409377 347463087 /nfs/dbraw/zinc/46/30/87/347463087.db2.gz QRUHDMPLDGRMDI-UHFFFAOYSA-N 0 1 284.363 2.566 20 30 CFEDMN N#Cc1ccc(CN2CCC[C@H]2C[C@@H](O)c2ccco2)o1 ZINC000091958593 347603837 /nfs/dbraw/zinc/60/38/37/347603837.db2.gz SUTJTCPJDABFNO-SWLSCSKDSA-N 0 1 286.331 2.832 20 30 CFEDMN C=CC1CCN(CC(=O)N[C@H]2CCCC[C@@H]2C)CC1 ZINC000111259865 347752827 /nfs/dbraw/zinc/75/28/27/347752827.db2.gz BFLRDAUQOUJROD-ZFWWWQNUSA-N 0 1 264.413 2.579 20 30 CFEDMN C[C@H](NC(=O)c1[nH]nc2c1CCCC2)c1ccc(C#N)cc1 ZINC000128003472 347846518 /nfs/dbraw/zinc/84/65/18/347846518.db2.gz UJOAIYPVQILHTE-NSHDSACASA-N 0 1 294.358 2.651 20 30 CFEDMN COc1ccc(C#N)cc1CN1C[C@@H](C)S[C@@H](C)C1 ZINC000130470499 347871324 /nfs/dbraw/zinc/87/13/24/347871324.db2.gz JXZODQLUBVFELU-TXEJJXNPSA-N 0 1 276.405 2.893 20 30 CFEDMN CC(C)(C)[C@H]1CCN(Cc2ccc(F)c(C#N)c2)C[C@@H]1O ZINC000273424465 192144803 /nfs/dbraw/zinc/14/48/03/192144803.db2.gz SKCCJBKRMKADFZ-HOCLYGCPSA-N 0 1 290.382 2.926 20 30 CFEDMN CCO[C@@H]1CCCN(Cc2ccc(C#N)c(F)c2)C1 ZINC000403989850 348589642 /nfs/dbraw/zinc/58/96/42/348589642.db2.gz IWKHXKYBAVVKEU-CQSZACIVSA-N 0 1 262.328 2.698 20 30 CFEDMN COc1cc(CNCc2cc(C)ns2)ccc1C#N ZINC000404286239 348590294 /nfs/dbraw/zinc/59/02/94/348590294.db2.gz SDOAKFLAZJSMAS-UHFFFAOYSA-N 0 1 273.361 2.622 20 30 CFEDMN COc1ccc(CN2CCC[C@@H](CC#N)C2)cc1C#N ZINC000397695547 348563268 /nfs/dbraw/zinc/56/32/68/348563268.db2.gz PSUYLMBCZQDFKL-ZDUSSCGKSA-N 0 1 269.348 2.693 20 30 CFEDMN CCC[C@H](C(=O)OCC)N1CCC(CCC#N)CC1 ZINC000399356950 348569421 /nfs/dbraw/zinc/56/94/21/348569421.db2.gz DNNYQEZRHIWNSM-CQSZACIVSA-N 0 1 266.385 2.734 20 30 CFEDMN C=CCCCCCN1CC[S@](=O)C(C)(C)CC1 ZINC000451754306 348622518 /nfs/dbraw/zinc/62/25/18/348622518.db2.gz ISIXRWOOCIJGIR-KRWDZBQOSA-N 0 1 257.443 2.966 20 30 CFEDMN CN(C)[C@H](CNC(=O)CCCCCC#N)c1cccs1 ZINC000588147781 348773686 /nfs/dbraw/zinc/77/36/86/348773686.db2.gz OWMDZOGNEWVDOF-CYBMUJFWSA-N 0 1 293.436 2.941 20 30 CFEDMN CC(C)(C)OC(=O)CCCCNCc1nc(C#N)cs1 ZINC000589316794 348826974 /nfs/dbraw/zinc/82/69/74/348826974.db2.gz MAMWSOYXMOMJAU-UHFFFAOYSA-N 0 1 295.408 2.616 20 30 CFEDMN Cn1cnc(CN[C@H](CCCC#N)c2ccccc2)c1 ZINC000590068595 348872411 /nfs/dbraw/zinc/87/24/11/348872411.db2.gz DADLSCRBDDAGLX-MRXNPFEDSA-N 0 1 268.364 2.945 20 30 CFEDMN C[C@H](c1ccccc1)[C@@H](O)CN1CCC[C@](C)(C#N)C1 ZINC000590715591 348935086 /nfs/dbraw/zinc/93/50/86/348935086.db2.gz RZZRFUPJAVHBSE-HYVNUMGLSA-N 0 1 272.392 2.777 20 30 CFEDMN CN(C)[C@H]1CCOc2c(NC(=O)CC3(C#N)CC3)cccc21 ZINC000590356313 348896372 /nfs/dbraw/zinc/89/63/72/348896372.db2.gz CFENOPDKODURDS-AWEZNQCLSA-N 0 1 299.374 2.704 20 30 CFEDMN N#CCc1ccc(C(=O)Nc2n[nH]c3cc(O)ccc32)cc1 ZINC000590559087 348909178 /nfs/dbraw/zinc/90/91/78/348909178.db2.gz YUMWVHBYVLBSGM-UHFFFAOYSA-N 0 1 292.298 2.587 20 30 CFEDMN C[C@@H](NCC(=O)N1CCCC[C@H]1C)c1cccc(C#N)c1 ZINC000591022989 348979650 /nfs/dbraw/zinc/97/96/50/348979650.db2.gz NYEGTDYTJVPTIU-ZIAGYGMSSA-N 0 1 285.391 2.610 20 30 CFEDMN N#CCC[C@H](C#N)CN[C@H](c1ccccc1)[C@@H]1CCOC1 ZINC000591757639 349042020 /nfs/dbraw/zinc/04/20/20/349042020.db2.gz RVNLNWYGNRFLDZ-DJIMGWMZSA-N 0 1 283.375 2.797 20 30 CFEDMN Cc1cc(N2CC[C@](O)(CC#N)C2)c2cc(F)ccc2n1 ZINC000591976976 349068711 /nfs/dbraw/zinc/06/87/11/349068711.db2.gz YQJUROWWTRUYHA-MRXNPFEDSA-N 0 1 285.322 2.537 20 30 CFEDMN CC(C)C[C@H]1OCCC[C@H]1NCc1ccncc1C#N ZINC000592107018 349084115 /nfs/dbraw/zinc/08/41/15/349084115.db2.gz CNNAHSLJJKDOAV-HZPDHXFCSA-N 0 1 273.380 2.637 20 30 CFEDMN COCCN(Cc1ccncc1C#N)[C@@H]1CC[C@@H](C)C1 ZINC000592115263 349085045 /nfs/dbraw/zinc/08/50/45/349085045.db2.gz XGTUDDRZERVGQE-CZUORRHYSA-N 0 1 273.380 2.590 20 30 CFEDMN CCO[C@@H]1C[C@H](NCc2ccncc2C#N)C12CCCC2 ZINC000592120835 349085903 /nfs/dbraw/zinc/08/59/03/349085903.db2.gz BPZJFEHTPQCGEI-JKSUJKDBSA-N 0 1 285.391 2.781 20 30 CFEDMN C[C@H]1C[C@H](C)CN(C(=O)CN2CCC(CCC#N)CC2)C1 ZINC000592135875 349088730 /nfs/dbraw/zinc/08/87/30/349088730.db2.gz KANMDPXCXYXWLR-GJZGRUSLSA-N 0 1 291.439 2.507 20 30 CFEDMN CN(C)C(=O)[C@H](c1ccccc1)N1CCC(CCC#N)CC1 ZINC000592135827 349088995 /nfs/dbraw/zinc/08/89/95/349088995.db2.gz YZBIVSWHVZWWMM-KRWDZBQOSA-N 0 1 299.418 2.832 20 30 CFEDMN C[C@@H]1C[C@H](C)CN(C(=O)CN2CCC(CCC#N)CC2)C1 ZINC000592135874 349089040 /nfs/dbraw/zinc/08/90/40/349089040.db2.gz KANMDPXCXYXWLR-GASCZTMLSA-N 0 1 291.439 2.507 20 30 CFEDMN CN(C)C(=O)[C@@H](c1ccccc1)N1CCC(CCC#N)CC1 ZINC000592135828 349089366 /nfs/dbraw/zinc/08/93/66/349089366.db2.gz YZBIVSWHVZWWMM-QGZVFWFLSA-N 0 1 299.418 2.832 20 30 CFEDMN COC(=O)c1cc(CN2CCC(CCC#N)CC2)c(C)o1 ZINC000592136107 349089373 /nfs/dbraw/zinc/08/93/73/349089373.db2.gz WMRPEDSOGINLCX-UHFFFAOYSA-N 0 1 290.363 2.890 20 30 CFEDMN Cc1ccccc1C1(NCC(=O)N[C@@](C)(C#N)C(C)C)CC1 ZINC000592139329 349090139 /nfs/dbraw/zinc/09/01/39/349090139.db2.gz AESOCMSQVOINJU-KRWDZBQOSA-N 0 1 299.418 2.628 20 30 CFEDMN N#CC[C@]1(O)CCN([C@@H]2CCCc3ccc(F)cc32)C1 ZINC000592151879 349092365 /nfs/dbraw/zinc/09/23/65/349092365.db2.gz ROCPQKVFTUSQLC-CVEARBPZSA-N 0 1 274.339 2.554 20 30 CFEDMN CCO[C@@H]1C[C@@H](NCc2cc(C#N)ccc2F)[C@@H]1SC ZINC000592168454 349094384 /nfs/dbraw/zinc/09/43/84/349094384.db2.gz JJFYPOUGRVTNSO-KFWWJZLASA-N 0 1 294.395 2.696 20 30 CFEDMN C[C@@H](NCC(C)(C)CC#N)c1cc2n(n1)CCCC2 ZINC000592390133 349113557 /nfs/dbraw/zinc/11/35/57/349113557.db2.gz CAHGUYFYSYQPFG-GFCCVEGCSA-N 0 1 260.385 2.810 20 30 CFEDMN COc1c(O)cccc1CN1CCC(CCC#N)CC1 ZINC000592517290 349130272 /nfs/dbraw/zinc/13/02/72/349130272.db2.gz WJCIDZNVPCKJPY-UHFFFAOYSA-N 0 1 274.364 2.917 20 30 CFEDMN CCCCOc1ccc(CN2CC[C@@](O)(CC#N)C2)cc1 ZINC000592524278 349134017 /nfs/dbraw/zinc/13/40/17/349134017.db2.gz WYGBCPLWSJIBAY-KRWDZBQOSA-N 0 1 288.391 2.716 20 30 CFEDMN CC[C@@H](C#N)C(=O)Nc1ccc2nc([C@@H]3CCCO3)[nH]c2c1 ZINC000593424167 349267072 /nfs/dbraw/zinc/26/70/72/349267072.db2.gz BDZZGMLUCMKYMQ-HZMBPMFUSA-N 0 1 298.346 2.903 20 30 CFEDMN C=CCCn1cc(CN2CCCC[C@@H](SCC)C2)nn1 ZINC000593957795 349340170 /nfs/dbraw/zinc/34/01/70/349340170.db2.gz JFULNTJZYOERFO-OAHLLOKOSA-N 0 1 294.468 2.962 20 30 CFEDMN N#Cc1ccc(CN2CCCO[C@@H](c3ccccc3)C2)nc1 ZINC000593958729 349340268 /nfs/dbraw/zinc/34/02/68/349340268.db2.gz XUDWHGPRKRHUKX-GOSISDBHSA-N 0 1 293.370 2.917 20 30 CFEDMN CN(C)[C@H](CNC(=O)CCCCC#N)c1cccc(F)c1 ZINC000594225922 349396612 /nfs/dbraw/zinc/39/66/12/349396612.db2.gz FSTHXAPBYBIMCK-OAHLLOKOSA-N 0 1 291.370 2.629 20 30 CFEDMN Cc1ncncc1[C@@H](C)N[C@@H]1CCc2cc(C#N)ccc21 ZINC000594500342 349432342 /nfs/dbraw/zinc/43/23/42/349432342.db2.gz OXABDEKENIQTDP-SJKOYZFVSA-N 0 1 278.359 2.995 20 30 CFEDMN CCC(C)(C)N1CCN(C(=O)c2ccc(C#N)cc2)CC1 ZINC000594390129 349413283 /nfs/dbraw/zinc/41/32/83/349413283.db2.gz SOESXEKUDRRXDR-UHFFFAOYSA-N 0 1 285.391 2.505 20 30 CFEDMN N#CC[C@@H]1CCCN(Cc2c[nH]nc2-c2cccnc2)C1 ZINC000597172460 350043248 /nfs/dbraw/zinc/04/32/48/350043248.db2.gz ACVGFWCJUFRSHG-ZDUSSCGKSA-N 0 1 281.363 2.597 20 30 CFEDMN N#Cc1ccc(CN2CC[C@H](c3ccccc3)[C@H](CO)C2)o1 ZINC000597206072 350054900 /nfs/dbraw/zinc/05/49/00/350054900.db2.gz LITNSVNBSWCRPW-MAUKXSAKSA-N 0 1 296.370 2.749 20 30 CFEDMN N#CC1(CC(=O)N[C@H]2CCCc3cn[nH]c32)CCCCC1 ZINC000597394612 350092723 /nfs/dbraw/zinc/09/27/23/350092723.db2.gz FZRCRJAWLXIVJW-ZDUSSCGKSA-N 0 1 286.379 2.767 20 30 CFEDMN C[C@@H](CC#N)C(=O)N1CC[N@@H+](Cc2ccccc2)C[C@@H](C)C1 ZINC000597734808 350130369 /nfs/dbraw/zinc/13/03/69/350130369.db2.gz DJWKKUWZEBOHOR-CVEARBPZSA-N 0 1 299.418 2.517 20 30 CFEDMN CC(C)(C#N)CC(=O)NCc1nc2ccc(Cl)cc2[nH]1 ZINC000597762037 350132818 /nfs/dbraw/zinc/13/28/18/350132818.db2.gz VJXGQGRKEWJLKJ-UHFFFAOYSA-N 0 1 290.754 2.772 20 30 CFEDMN Cc1cc2c[nH]nc2c(C(=O)N2CCC[C@H](CC#N)C2)c1 ZINC000597914310 350156886 /nfs/dbraw/zinc/15/68/86/350156886.db2.gz UJEVTAGXGZLGIO-GFCCVEGCSA-N 0 1 282.347 2.637 20 30 CFEDMN N#Cc1ccc(C2(c3nc(C4(N)CCCC4)no3)CC2)cc1 ZINC000414619558 233305048 /nfs/dbraw/zinc/30/50/48/233305048.db2.gz OGKKQHHAAIPPNM-UHFFFAOYSA-N 0 1 294.358 2.749 20 30 CFEDMN Cc1ccc(-c2cc(C(=O)N([C@@H](C)C#N)C3CC3)n[nH]2)cc1 ZINC000598126291 350202518 /nfs/dbraw/zinc/20/25/18/350202518.db2.gz SYXMQMWEBYUPGG-LBPRGKRZSA-N 0 1 294.358 2.902 20 30 CFEDMN CCCCCc1cc(C(=O)N([C@@H](C)C#N)C2CC2)n[nH]1 ZINC000598140844 350209792 /nfs/dbraw/zinc/20/97/92/350209792.db2.gz WYEZTTGROKIPAW-NSHDSACASA-N 0 1 274.368 2.659 20 30 CFEDMN C[C@@]1(C#N)CCN(C(=O)c2cn[nH]c2-c2ccccc2F)C1 ZINC000598411295 350261569 /nfs/dbraw/zinc/26/15/69/350261569.db2.gz NJDUFESKWPAGIF-INIZCTEOSA-N 0 1 298.321 2.592 20 30 CFEDMN CCN(CC)[C@H](C(=O)N1CC[C@@](C)(C#N)C1)c1ccccc1 ZINC000598413461 350262933 /nfs/dbraw/zinc/26/29/33/350262933.db2.gz RWDXHAZGLYFCNB-WMZOPIPTSA-N 0 1 299.418 2.832 20 30 CFEDMN COCC#CCN(C)Cc1cccc(Br)c1 ZINC000677818387 539791611 /nfs/dbraw/zinc/79/16/11/539791611.db2.gz LEWPESDWVWHRQB-UHFFFAOYSA-N 0 1 282.181 2.531 20 30 CFEDMN C=CCN(Cc1cc(C(=O)OC)c2n1CCCC2)C1CC1 ZINC000598674742 350307595 /nfs/dbraw/zinc/30/75/95/350307595.db2.gz SWEWDBILDCAJLD-UHFFFAOYSA-N 0 1 288.391 2.761 20 30 CFEDMN CC(C)(C)c1csc(CNC[C@@H](O)CC(C)(C)C#N)n1 ZINC000598721083 350317999 /nfs/dbraw/zinc/31/79/99/350317999.db2.gz RUEVFKAUYXVXEJ-NSHDSACASA-N 0 1 295.452 2.831 20 30 CFEDMN Cc1nc2cc(NC[C@@H](O)CC(C)(C)C#N)ccc2n1C ZINC000598725965 350320040 /nfs/dbraw/zinc/32/00/40/350320040.db2.gz KSZPXOQPWQCMNO-ZDUSSCGKSA-N 0 1 286.379 2.594 20 30 CFEDMN COc1ccc2nc(S[C@@H](C#N)C3CC3)[nH]c2c1 ZINC000598912162 350346652 /nfs/dbraw/zinc/34/66/52/350346652.db2.gz JVJKXGLFKBFDQQ-LBPRGKRZSA-N 0 1 259.334 2.966 20 30 CFEDMN C[C@H]1Cc2cn[nH]c2[C@@H](C(=O)Nc2cccc(CC#N)c2)C1 ZINC000598941159 350347646 /nfs/dbraw/zinc/34/76/46/350347646.db2.gz KQTXWLGWKYSZNI-NHYWBVRUSA-N 0 1 294.358 2.780 20 30 CFEDMN COCC#CCN1C[C@@H](C)C[C@@H]1c1cccc(F)c1 ZINC000677819798 539794256 /nfs/dbraw/zinc/79/42/56/539794256.db2.gz AKWAOFYRPSWXGN-XJKSGUPXSA-N 0 1 261.340 2.858 20 30 CFEDMN CCC(F)(F)CN=c1ccc2cc(C#N)ccc2[nH]1 ZINC000599149890 350385730 /nfs/dbraw/zinc/38/57/30/350385730.db2.gz TTWMUPWARDHXNZ-UHFFFAOYSA-N 0 1 261.275 2.986 20 30 CFEDMN Cc1ccc(CN2CCC[C@H]2[C@H](O)C(F)(F)F)cc1C#N ZINC000599287906 350407474 /nfs/dbraw/zinc/40/74/74/350407474.db2.gz ZYHZXQKVNBAZHZ-KBPBESRZSA-N 0 1 298.308 2.754 20 30 CFEDMN C[C@H]1CN(Cc2ccnc(C#N)c2)C[C@H](C)C1(F)F ZINC000599512631 350448189 /nfs/dbraw/zinc/44/81/89/350448189.db2.gz LLWZMVHLWCXQCK-QWRGUYRKSA-N 0 1 265.307 2.676 20 30 CFEDMN CN(Cc1ccc(C#N)cc1Cl)CC1(C)COC1 ZINC000599571696 350458911 /nfs/dbraw/zinc/45/89/11/350458911.db2.gz QSQQSSKURYPWHV-UHFFFAOYSA-N 0 1 264.756 2.680 20 30 CFEDMN N#Cc1ccc(CN2C[C@@H]3CCC[C@]3(CO)C2)c(Cl)c1 ZINC000599638925 350470062 /nfs/dbraw/zinc/47/00/62/350470062.db2.gz RYNTUXXNVQCROX-GOEBONIOSA-N 0 1 290.794 2.806 20 30 CFEDMN C[C@H]1C[C@H]1Cn1[nH]c(C(C)(C)C)c(CCC#N)c1=O ZINC000600672565 350594270 /nfs/dbraw/zinc/59/42/70/350594270.db2.gz OSMLXXAOVUYTDZ-QWRGUYRKSA-N 0 1 261.369 2.998 20 30 CFEDMN CCC(C#N)(CC)C(=O)Nc1ccc(-n2ccc(=O)[nH]2)cc1 ZINC000600676404 350595857 /nfs/dbraw/zinc/59/58/57/350595857.db2.gz UTYQKXFGFABWHL-UHFFFAOYSA-N 0 1 298.346 2.846 20 30 CFEDMN N#Cc1ccc(CN[C@@H]2C[C@H]2C(F)(F)F)cc1F ZINC000601158700 350684629 /nfs/dbraw/zinc/68/46/29/350684629.db2.gz BETLCJHKDQNDRZ-MWLCHTKSSA-N 0 1 258.218 2.738 20 30 CFEDMN C[C@H](N[C@@H](C)[C@@H](O)C(F)(F)F)c1ccc(C#N)cc1 ZINC000601301287 350720124 /nfs/dbraw/zinc/72/01/24/350720124.db2.gz XGETVHKGACDDKE-HOTUBEGUSA-N 0 1 272.270 2.521 20 30 CFEDMN N#CC1(C(=O)Nc2nc3ccc(F)cc3[nH]2)CC2(CC2)C1 ZINC000601534442 350737568 /nfs/dbraw/zinc/73/75/68/350737568.db2.gz DSQWOCSRLCDODU-UHFFFAOYSA-N 0 1 284.294 2.724 20 30 CFEDMN N#Cc1ccc(N2N=C3CCC[C@@H]3C2=O)cc1Cl ZINC000601946606 350814613 /nfs/dbraw/zinc/81/46/13/350814613.db2.gz DCLNNXIJKCBQKP-JTQLQIEISA-N 0 1 259.696 2.714 20 30 CFEDMN N#Cc1ccc(-n2[nH]c3c(c2=O)CCC3)cc1Cl ZINC000601946606 350814614 /nfs/dbraw/zinc/81/46/14/350814614.db2.gz DCLNNXIJKCBQKP-JTQLQIEISA-N 0 1 259.696 2.714 20 30 CFEDMN Cc1[nH]n([C@@H]2CCc3c2cccc3F)c(=O)c1CCC#N ZINC000601948987 350816044 /nfs/dbraw/zinc/81/60/44/350816044.db2.gz IEKPVWJZKAIOGK-XHDPSFHLSA-N 0 1 285.322 2.951 20 30 CFEDMN CC(C)(C#N)C[C@@H](O)CN[C@@H](CF)c1ccc(F)cc1 ZINC000601969204 350821631 /nfs/dbraw/zinc/82/16/31/350821631.db2.gz AOKIAYRZSIUKQA-KGLIPLIRSA-N 0 1 282.334 2.727 20 30 CFEDMN CN(CCC1(C#N)CCCCC1)[C@@H]1CCCCN(C)C1=O ZINC000601974542 350822438 /nfs/dbraw/zinc/82/24/38/350822438.db2.gz JYDJFDTUOWQGKS-OAHLLOKOSA-N 0 1 291.439 2.793 20 30 CFEDMN CCCCc1cc(=O)n(Cc2cccc(C#N)c2)[nH]1 ZINC000601945581 350813500 /nfs/dbraw/zinc/81/35/00/350813500.db2.gz UIGLTEOWWXBEGM-UHFFFAOYSA-N 0 1 255.321 2.837 20 30 CFEDMN C[C@H](COCC(F)(F)F)NCc1cccc(F)c1C#N ZINC000602006166 350829107 /nfs/dbraw/zinc/82/91/07/350829107.db2.gz KVHJOBMTGIIIOG-SECBINFHSA-N 0 1 290.260 2.754 20 30 CFEDMN N#Cc1c(F)cccc1CNC[C@H](CO)CC1CCCC1 ZINC000602015677 350832296 /nfs/dbraw/zinc/83/22/96/350832296.db2.gz GIBFPSMLWKLGKM-CQSZACIVSA-N 0 1 290.382 2.976 20 30 CFEDMN COC(=O)c1ccc(CN[C@@H](C)c2cccc(C#N)c2)n1C ZINC000602015219 350832477 /nfs/dbraw/zinc/83/24/77/350832477.db2.gz ZROSWMJQJMXQEZ-LBPRGKRZSA-N 0 1 297.358 2.534 20 30 CFEDMN CC[C@H](NCc1cccc(F)c1C#N)[C@H](O)C(C)C ZINC000602021433 350833720 /nfs/dbraw/zinc/83/37/20/350833720.db2.gz UFYFJLFJTRUWIL-LSDHHAIUSA-N 0 1 264.344 2.582 20 30 CFEDMN CO[C@H](CNCc1cccc(F)c1C#N)CC(C)C ZINC000602022599 350833942 /nfs/dbraw/zinc/83/39/42/350833942.db2.gz ZHOTWJYTBZVCNU-ZDUSSCGKSA-N 0 1 264.344 2.848 20 30 CFEDMN CC[C@H](NCc1cccc(F)c1C#N)[C@@H](O)C(C)C ZINC000602021429 350834177 /nfs/dbraw/zinc/83/41/77/350834177.db2.gz UFYFJLFJTRUWIL-GJZGRUSLSA-N 0 1 264.344 2.582 20 30 CFEDMN CC[C@H](C)C[C@H](CO)NCc1cccc(F)c1C#N ZINC000602020647 350834200 /nfs/dbraw/zinc/83/42/00/350834200.db2.gz QLPRWDKZTITAII-WCQYABFASA-N 0 1 264.344 2.584 20 30 CFEDMN CCCN(Cc1ccc(C#N)cc1)C(=O)[C@@H]1CCCCN1C ZINC000602059799 350836904 /nfs/dbraw/zinc/83/69/04/350836904.db2.gz TYUZHMUBXSOLNV-KRWDZBQOSA-N 0 1 299.418 2.781 20 30 CFEDMN CC(C)N(CCC#N)C(=O)c1cc(-c2ccccc2O)[nH]n1 ZINC000602092295 350839680 /nfs/dbraw/zinc/83/96/80/350839680.db2.gz NPQMZBRZDXCXKM-UHFFFAOYSA-N 0 1 298.346 2.547 20 30 CFEDMN CC(C)(C)n1cc(C#N)c(=NC(=O)C2CCC=CCC2)[nH]1 ZINC000602279719 350858450 /nfs/dbraw/zinc/85/84/50/350858450.db2.gz FRWYSZWBXVEIOK-UHFFFAOYSA-N 0 1 286.379 2.617 20 30 CFEDMN CCCC[C@@H](COC)NCc1cccc(F)c1C#N ZINC000602007328 350828708 /nfs/dbraw/zinc/82/87/08/350828708.db2.gz NRRRAZLRUIJUOS-ZDUSSCGKSA-N 0 1 264.344 2.992 20 30 CFEDMN N#Cc1c(F)cccc1CNCCCOCC(F)(F)F ZINC000602007790 350828938 /nfs/dbraw/zinc/82/89/38/350828938.db2.gz XTUKFAHRYBGMLD-UHFFFAOYSA-N 0 1 290.260 2.756 20 30 CFEDMN CCOCc1ccccc1CNCc1cccc(C#N)n1 ZINC000602512176 350910243 /nfs/dbraw/zinc/91/02/43/350910243.db2.gz REKGQBRTBMDHDT-UHFFFAOYSA-N 0 1 281.359 2.780 20 30 CFEDMN CC(C)(NCc1cccc(C#N)n1)c1ccccc1 ZINC000602521598 350912954 /nfs/dbraw/zinc/91/29/54/350912954.db2.gz MDAOOGNUWSWVIL-UHFFFAOYSA-N 0 1 251.333 2.978 20 30 CFEDMN CO[C@@H](c1ccccc1F)[C@@H](C)NCc1cccc(C#N)n1 ZINC000602582053 350933851 /nfs/dbraw/zinc/93/38/51/350933851.db2.gz MTZJBIUDBQAPHF-SJKOYZFVSA-N 0 1 299.349 2.958 20 30 CFEDMN C[C@H](CCC#N)CN1CCN(C(=O)CC(C)(C)C)CC1 ZINC000602441557 350884553 /nfs/dbraw/zinc/88/45/53/350884553.db2.gz PRQSDNOJVVTPPH-CQSZACIVSA-N 0 1 279.428 2.507 20 30 CFEDMN CN(CCCOc1ccc(F)cc1)Cc1cccc(C#N)n1 ZINC000602443922 350884689 /nfs/dbraw/zinc/88/46/89/350884689.db2.gz BENHTAHZQIDVMX-UHFFFAOYSA-N 0 1 299.349 2.993 20 30 CFEDMN C[C@H](C#N)CN(C)C[C@@H]1CCN(c2ccccc2)C1 ZINC000602447221 350887502 /nfs/dbraw/zinc/88/75/02/350887502.db2.gz LSPDBYAKDYQLLR-CABCVRRESA-N 0 1 257.381 2.604 20 30 CFEDMN N#Cc1cccc(CN2CCCc3ccccc3C2)n1 ZINC000602461960 350891369 /nfs/dbraw/zinc/89/13/69/350891369.db2.gz JOAYBZGWPYHHTM-UHFFFAOYSA-N 0 1 263.344 2.902 20 30 CFEDMN CO[C@@H](CN(CCC#N)CC(C)(C)C)C1CCOCC1 ZINC000602465540 350892264 /nfs/dbraw/zinc/89/22/64/350892264.db2.gz NZERDHGWJVYQRQ-HNNXBMFYSA-N 0 1 282.428 2.690 20 30 CFEDMN C=CCN(Cc1cn(C)nc1[N+](=O)[O-])CC1CCCCC1 ZINC000602474940 350897254 /nfs/dbraw/zinc/89/72/54/350897254.db2.gz SDHOROFSHITLFC-UHFFFAOYSA-N 0 1 292.383 2.897 20 30 CFEDMN CCn1ccnc1[C@@H](C)N[C@H](C)CC1(C#N)CCOCC1 ZINC000602679748 350974596 /nfs/dbraw/zinc/97/45/96/350974596.db2.gz BTEJVQXLGAKEAK-ZIAGYGMSSA-N 0 1 290.411 2.653 20 30 CFEDMN N#Cc1cccc(CN2CCSC3(CCC3)CC2)n1 ZINC000602692609 350981459 /nfs/dbraw/zinc/98/14/59/350981459.db2.gz BOPJLMSHCRCIKS-UHFFFAOYSA-N 0 1 273.405 2.815 20 30 CFEDMN CO[C@@H](CNCC1(C#N)CCC1)Cc1ccccc1 ZINC000602695276 350983860 /nfs/dbraw/zinc/98/38/60/350983860.db2.gz LGWJNPKZSJXWFY-OAHLLOKOSA-N 0 1 258.365 2.528 20 30 CFEDMN CC(C)[C@@H](O)[C@@H](NCc1cccc(C#N)n1)c1ccccc1 ZINC000602713366 350995099 /nfs/dbraw/zinc/99/50/99/350995099.db2.gz LXJGDTSCWJWUPK-ZWKOTPCHSA-N 0 1 295.386 2.801 20 30 CFEDMN CN(c1ccccc1)[C@H]1CCN(Cc2cccc(C#N)n2)C1 ZINC000602718380 350997594 /nfs/dbraw/zinc/99/75/94/350997594.db2.gz NNKVQFYURYKSFV-SFHVURJKSA-N 0 1 292.386 2.664 20 30 CFEDMN C[C@@]1(C#N)CCN(Cc2cccc3ncccc23)C1 ZINC000602717589 350998030 /nfs/dbraw/zinc/99/80/30/350998030.db2.gz HNPKLASTSVQYKT-INIZCTEOSA-N 0 1 251.333 2.970 20 30 CFEDMN CC(C)(C#N)CN[C@@H](c1nnc[nH]1)C1CCCCC1 ZINC000602615011 350947243 /nfs/dbraw/zinc/94/72/43/350947243.db2.gz OVYLTEMHZFQCLZ-GFCCVEGCSA-N 0 1 261.373 2.565 20 30 CFEDMN N#Cc1cccc(CN2CC[C@@]3(C2)OCc2ccccc23)n1 ZINC000602618608 350949124 /nfs/dbraw/zinc/94/91/24/350949124.db2.gz JPTISDCQXWJOAU-SFHVURJKSA-N 0 1 291.354 2.585 20 30 CFEDMN CC(C)(CC(F)(F)F)NCc1cccc(C#N)n1 ZINC000602626987 350951791 /nfs/dbraw/zinc/95/17/91/350951791.db2.gz CPOATINMVHOIIP-UHFFFAOYSA-N 0 1 257.259 2.774 20 30 CFEDMN CC[N@@H+](Cc1ccc2c(c1)OCO2)CC1(CC#N)CC1 ZINC000602764505 351016931 /nfs/dbraw/zinc/01/69/31/351016931.db2.gz XTRGTDSHPJRTRC-UHFFFAOYSA-N 0 1 272.348 2.931 20 30 CFEDMN CSc1ccc(CN2C[C@@H](C)N(CC#N)[C@H](C)C2)cc1 ZINC000602856209 351047747 /nfs/dbraw/zinc/04/77/47/351047747.db2.gz JGXJTHUOCSNDOU-ZIAGYGMSSA-N 0 1 289.448 2.827 20 30 CFEDMN C[C@@H]1CN(C/C=C/c2ccccc2)C[C@@H](C)N1CC#N ZINC000602857817 351047791 /nfs/dbraw/zinc/04/77/91/351047791.db2.gz VJSJATPBSZNARA-HKFHSAMXSA-N 0 1 269.392 2.618 20 30 CFEDMN C[C@H](c1cccc(F)c1)N1C[C@@H](C)N(CC#N)[C@H](C)C1 ZINC000602859830 351048895 /nfs/dbraw/zinc/04/88/95/351048895.db2.gz ZPGBJMQUONMPFZ-MGPQQGTHSA-N 0 1 275.371 2.805 20 30 CFEDMN C[C@@H](CC#N)NCCCc1nc(-c2ccccc2)no1 ZINC000602861721 351049962 /nfs/dbraw/zinc/04/99/62/351049962.db2.gz HWPZNCZBMJCSCM-LBPRGKRZSA-N 0 1 270.336 2.561 20 30 CFEDMN COC[C@H](NCC1(CC#N)CC1)c1cccc(OC)c1 ZINC000602881080 351056204 /nfs/dbraw/zinc/05/62/04/351056204.db2.gz CHUQQPXBKRANEI-HNNXBMFYSA-N 0 1 274.364 2.666 20 30 CFEDMN N#Cc1cccc(CN2CCC[C@@H]2c2cn[nH]c2)c1 ZINC000602879838 351056389 /nfs/dbraw/zinc/05/63/89/351056389.db2.gz GDTGYYMRYUGQHF-OAHLLOKOSA-N 0 1 252.321 2.618 20 30 CFEDMN C[C@@H](c1cnccn1)N1CCC(c2ccc(C#N)cn2)CC1 ZINC000602908920 351063523 /nfs/dbraw/zinc/06/35/23/351063523.db2.gz WUCOFCXBLQERCC-ZDUSSCGKSA-N 0 1 293.374 2.684 20 30 CFEDMN C[C@H]1Cc2cn[nH]c2[C@@H](C(=O)Nc2cc(F)cc(C#N)c2)C1 ZINC000603169089 351113972 /nfs/dbraw/zinc/11/39/72/351113972.db2.gz KSWARTHAOHSNHQ-XPTSAGLGSA-N 0 1 298.321 2.725 20 30 CFEDMN CN(CCC(=O)Nc1ccc(C#N)cc1)[C@H]1CCC[C@@H]1C#N ZINC000602979562 351081423 /nfs/dbraw/zinc/08/14/23/351081423.db2.gz FWNNAXOVYLGVLX-ZBFHGGJFSA-N 0 1 296.374 2.511 20 30 CFEDMN C[C@H](c1ccccc1)[C@H](O)CN(C)[C@H]1CCC[C@@H]1C#N ZINC000602982420 351083339 /nfs/dbraw/zinc/08/33/39/351083339.db2.gz SBBJSLAWCGFYGD-MXASKKJJSA-N 0 1 272.392 2.775 20 30 CFEDMN N#Cc1ccc(F)c(CN2CC[C@H](O)[C@H]3CCCC[C@@H]32)c1 ZINC000602998096 351089222 /nfs/dbraw/zinc/08/92/22/351089222.db2.gz XDNUNSWSOOCFFJ-XIRDDKMYSA-N 0 1 288.366 2.823 20 30 CFEDMN N#Cc1ccc(F)c(CN2CC[C@H](O)[C@@H]3CCCC[C@@H]32)c1 ZINC000602998094 351089362 /nfs/dbraw/zinc/08/93/62/351089362.db2.gz XDNUNSWSOOCFFJ-PVAVHDDUSA-N 0 1 288.366 2.823 20 30 CFEDMN CC(C)CCN1CCN(c2oc(C3CC3)nc2C#N)CC1 ZINC000603875657 351188637 /nfs/dbraw/zinc/18/86/37/351188637.db2.gz CDTLOIHPBGPTAM-UHFFFAOYSA-N 0 1 288.395 2.592 20 30 CFEDMN C=CCCOCC(=O)Nc1cccc(Cl)c1O ZINC000605880013 351257429 /nfs/dbraw/zinc/25/74/29/351257429.db2.gz NYZBUBJTYHUOCU-UHFFFAOYSA-N 0 1 255.701 2.577 20 30 CFEDMN CCN(CC)Cc1ccc(C(=O)N(CC)C[C@H](C)C#N)o1 ZINC000604506165 351216222 /nfs/dbraw/zinc/21/62/22/351216222.db2.gz WTXMLFWWQLRADY-CYBMUJFWSA-N 0 1 291.395 2.743 20 30 CFEDMN CCn1cc([C@@H](C)NCc2ccc(OC)c(C#N)c2)cn1 ZINC000271430849 191133576 /nfs/dbraw/zinc/13/35/76/191133576.db2.gz BACZGIUPCOACDF-GFCCVEGCSA-N 0 1 284.363 2.634 20 30 CFEDMN CCN(CC)Cc1ccc(C(=O)Nc2ccc(C#N)cn2)o1 ZINC000609504482 351504187 /nfs/dbraw/zinc/50/41/87/351504187.db2.gz GRXSHZBEKJOEQL-UHFFFAOYSA-N 0 1 298.346 2.640 20 30 CFEDMN N#CCSCCCN1CC(c2nc3ccccc3[nH]2)C1 ZINC000610844733 351613157 /nfs/dbraw/zinc/61/31/57/351613157.db2.gz RFQFYOIVPBINIM-UHFFFAOYSA-N 0 1 286.404 2.609 20 30 CFEDMN CCC(C)(C)NC(=O)[C@@H](C)N[C@@H](C)c1cccc(C#N)c1 ZINC000610343204 351555917 /nfs/dbraw/zinc/55/59/17/351555917.db2.gz BAIXDTREPICGNZ-QWHCGFSZSA-N 0 1 287.407 2.902 20 30 CFEDMN C[C@@H](NCc1cnc(N(C)C)s1)c1cccc(C#N)c1 ZINC000610344876 351556929 /nfs/dbraw/zinc/55/69/29/351556929.db2.gz KEQFDKKGVVYHCF-LLVKDONJSA-N 0 1 286.404 2.932 20 30 CFEDMN C[C@@H](NC(=O)c1[nH]nc2c1CCCC2)c1cccc(C#N)c1 ZINC000610363792 351560278 /nfs/dbraw/zinc/56/02/78/351560278.db2.gz ZKEIKQJEZDPYRP-LLVKDONJSA-N 0 1 294.358 2.651 20 30 CFEDMN N#Cc1ccc(NC(=O)CN2C3CCCC2CCC3)cc1 ZINC000610395057 351562673 /nfs/dbraw/zinc/56/26/73/351562673.db2.gz VECNLCGFTCAITE-UHFFFAOYSA-N 0 1 283.375 2.904 20 30 CFEDMN C[C@H]([C@H]1Cc2ccccc2O1)N(C)Cc1ccnc(C#N)c1 ZINC000610995090 351632757 /nfs/dbraw/zinc/63/27/57/351632757.db2.gz DQVPFQWWOQXMQL-FZKQIMNGSA-N 0 1 293.370 2.777 20 30 CFEDMN COC(=O)c1cccc(CN2CCC[C@H]2C2CC2)c1C#N ZINC000611127190 351642712 /nfs/dbraw/zinc/64/27/12/351642712.db2.gz KLPJSDIVWTUVFJ-INIZCTEOSA-N 0 1 284.359 2.719 20 30 CFEDMN COc1cc(C#N)ccc1CN1CC[C@H](C(F)F)C1 ZINC000611236086 351654108 /nfs/dbraw/zinc/65/41/08/351654108.db2.gz YEMNZADBGVGFDN-LBPRGKRZSA-N 0 1 266.291 2.654 20 30 CFEDMN CC(C)CNC(=O)C(C#N)c1nc2cc(F)ccc2s1 ZINC000611249139 351657148 /nfs/dbraw/zinc/65/71/48/351657148.db2.gz MTPNSJCZPGDMRR-SNVBAGLBSA-N 0 1 291.351 2.815 20 30 CFEDMN N#Cc1cc(CN2CCS[C@@H]3CCCC[C@H]32)ccn1 ZINC000610994512 351631429 /nfs/dbraw/zinc/63/14/29/351631429.db2.gz IPQHPSSTFFGYFN-HUUCEWRRSA-N 0 1 273.405 2.813 20 30 CFEDMN CC(C)CN(C(=O)CN[C@@H](C)c1cccc(C#N)c1)C1CC1 ZINC000611387260 351677835 /nfs/dbraw/zinc/67/78/35/351677835.db2.gz IUFIIMNQWLGRCI-AWEZNQCLSA-N 0 1 299.418 2.856 20 30 CFEDMN C[C@H](NCC(=O)N[C@@H]1CCCC[C@H]1C)c1cccc(C#N)c1 ZINC000611389238 351679600 /nfs/dbraw/zinc/67/96/00/351679600.db2.gz QVUCVAASWNLTJZ-JKIFEVAISA-N 0 1 299.418 2.904 20 30 CFEDMN Cc1ccncc1[C@@H](C)NCC(=O)Nc1ccc(C#N)cc1 ZINC000611939995 351753471 /nfs/dbraw/zinc/75/34/71/351753471.db2.gz XTGNFXFIYXRDNE-CYBMUJFWSA-N 0 1 294.358 2.551 20 30 CFEDMN C[C@]1(C#N)CCCN(C[C@@H](O)CCc2ccccc2)C1 ZINC000612473099 351825108 /nfs/dbraw/zinc/82/51/08/351825108.db2.gz ILOBBJIXVCNRLB-DLBZAZTESA-N 0 1 272.392 2.606 20 30 CFEDMN N#C[C@H]1CCC[C@H](Nc2cnn(-c3ccncc3)c2)C1 ZINC000613255846 351926001 /nfs/dbraw/zinc/92/60/01/351926001.db2.gz OKMSLMXOHLCRDB-STQMWFEESA-N 0 1 267.336 2.762 20 30 CFEDMN Cc1cc([C@H](C#N)C(=O)c2cc(C(C)(C)C)[nH]n2)nc(C)n1 ZINC000613296384 351934478 /nfs/dbraw/zinc/93/44/78/351934478.db2.gz VEELEIIOKMVASX-NSHDSACASA-N 0 1 297.362 2.604 20 30 CFEDMN Cc1cc(C(C#N)C(=O)c2cc(C(C)(C)C)[nH]n2)nc(C)n1 ZINC000613296384 351934480 /nfs/dbraw/zinc/93/44/80/351934480.db2.gz VEELEIIOKMVASX-NSHDSACASA-N 0 1 297.362 2.604 20 30 CFEDMN C[C@@H]1CN(c2nc(C(C)(C)C)ccc2C#N)[C@@H](C)CN1C ZINC000613431418 351958328 /nfs/dbraw/zinc/95/83/28/351958328.db2.gz ZOQSRRIGUGEOMP-OLZOCXBDSA-N 0 1 286.423 2.780 20 30 CFEDMN C[C@@H]1CCN(Cc2ccc(C(C)(C)C#N)cc2)[C@H](C(N)=O)C1 ZINC000614597581 352106077 /nfs/dbraw/zinc/10/60/77/352106077.db2.gz ZMMQCAKWPHIXOG-CJNGLKHVSA-N 0 1 299.418 2.574 20 30 CFEDMN C=CCC1(NC(=O)[C@@H]2CCCc3n[nH]nc32)CCCCC1 ZINC000615961972 352267611 /nfs/dbraw/zinc/26/76/11/352267611.db2.gz VFQJFPRQFKKROR-GFCCVEGCSA-N 0 1 288.395 2.620 20 30 CFEDMN C[C@@]1(C#N)CCCN(C[C@H](O)C2CCCCC2)C1 ZINC000616113949 352285782 /nfs/dbraw/zinc/28/57/82/352285782.db2.gz KSGOIAKPFHCYDE-GJZGRUSLSA-N 0 1 250.386 2.553 20 30 CFEDMN C=CC[C@@H]1CCCC[C@@H]1NC(=O)c1[nH]nc2c1CCC2 ZINC000617036988 352473898 /nfs/dbraw/zinc/47/38/98/352473898.db2.gz HAPDLDROBJJCGE-YPMHNXCESA-N 0 1 273.380 2.763 20 30 CFEDMN C=CC[C@@H]1CCCC[C@@H]1NC(=O)CCc1cnc[nH]1 ZINC000617042899 352477811 /nfs/dbraw/zinc/47/78/11/352477811.db2.gz WYFWQVRWAJMRQO-OCCSQVGLSA-N 0 1 261.369 2.593 20 30 CFEDMN C=CC[C@@H]1CCCN(C(=O)c2cccc(-c3nnc[nH]3)c2)C1 ZINC000617781525 352644769 /nfs/dbraw/zinc/64/47/69/352644769.db2.gz ORBCGPOTPWHEDL-CYBMUJFWSA-N 0 1 296.374 2.900 20 30 CFEDMN N#Cc1c(CN2CCC23CCOCC3)cn2ccccc12 ZINC000618316881 352751896 /nfs/dbraw/zinc/75/18/96/352751896.db2.gz ZPILNUBCBBEBSE-UHFFFAOYSA-N 0 1 281.359 2.566 20 30 CFEDMN Cn1nc(CN[C@H]2CCC[C@H](C#N)C2)c2ccccc21 ZINC000618575463 352816499 /nfs/dbraw/zinc/81/64/99/352816499.db2.gz GXOWQRNAQMSGDQ-STQMWFEESA-N 0 1 268.364 2.745 20 30 CFEDMN CCCn1cc(CN[C@H]2CCc3cc(C#N)ccc32)cn1 ZINC000618742204 352876121 /nfs/dbraw/zinc/87/61/21/352876121.db2.gz UCQSAIQDNBRNIQ-KRWDZBQOSA-N 0 1 280.375 2.942 20 30 CFEDMN CC(C)[C@H](C#N)N1CCN([C@@H]2CCc3ccccc32)CC1 ZINC000618752649 352877007 /nfs/dbraw/zinc/87/70/07/352877007.db2.gz OJWJRQNALMHHFF-MSOLQXFVSA-N 0 1 283.419 2.840 20 30 CFEDMN CC(=O)Nc1cccc2c1CCN([C@H]1CC[C@@H](C#N)C1)C2 ZINC000618903937 352908141 /nfs/dbraw/zinc/90/81/41/352908141.db2.gz RFAGAQMQTKEURU-HIFRSBDPSA-N 0 1 283.375 2.695 20 30 CFEDMN N#Cc1ccc(Cl)cc1N1CCC(c2nc[nH]n2)CC1 ZINC000301563071 539954162 /nfs/dbraw/zinc/95/41/62/539954162.db2.gz JPUXDUMVGSJDEY-UHFFFAOYSA-N 0 1 287.754 2.714 20 30 CFEDMN COc1ncc(CN[C@H](C)c2cccc(C#N)c2)c(C)n1 ZINC000619621142 353041238 /nfs/dbraw/zinc/04/12/38/353041238.db2.gz PSAURFCNLSWBQR-LLVKDONJSA-N 0 1 282.347 2.516 20 30 CFEDMN CC(C)Oc1ncccc1CN[C@H]1CC[C@H](C#N)C1 ZINC000619672203 353047821 /nfs/dbraw/zinc/04/78/21/353047821.db2.gz BGBNASUCQWLBFF-JSGCOSHPSA-N 0 1 259.353 2.651 20 30 CFEDMN C=C(Cl)CN1CCC[C@H](c2nc(C3CC3)n[nH]2)C1 ZINC000152205507 188002219 /nfs/dbraw/zinc/00/22/19/188002219.db2.gz ZIDCMSRJKDYEPW-NSHDSACASA-N 0 1 266.776 2.614 20 30 CFEDMN C=C(Cl)CN1CCC[C@H](c2n[nH]c(C3CC3)n2)C1 ZINC000152205507 188002220 /nfs/dbraw/zinc/00/22/20/188002220.db2.gz ZIDCMSRJKDYEPW-NSHDSACASA-N 0 1 266.776 2.614 20 30 CFEDMN C=C1C[C@H]2CC[C@@H](C1)N2C(=O)c1cccc(-c2nnc[nH]2)c1 ZINC000620305879 353149095 /nfs/dbraw/zinc/14/90/95/353149095.db2.gz UMTIKCVYSGXGBW-GASCZTMLSA-N 0 1 294.358 2.795 20 30 CFEDMN C=CCC[C@H](O)CN(C)Cc1nc2ccccc2o1 ZINC000153807720 188104426 /nfs/dbraw/zinc/10/44/26/188104426.db2.gz SYRMNDFXOCUXON-LBPRGKRZSA-N 0 1 260.337 2.587 20 30 CFEDMN CCCN(CC(=O)Nc1oc(C)c(C)c1C#N)C1CC1 ZINC000154965292 188173907 /nfs/dbraw/zinc/17/39/07/188173907.db2.gz XXDYRUUQDMRNNM-UHFFFAOYSA-N 0 1 275.352 2.581 20 30 CFEDMN C=CCCC(C)(C)NC(=O)Cc1[nH]nc2ccccc21 ZINC000620861149 353242724 /nfs/dbraw/zinc/24/27/24/353242724.db2.gz DAOLDIYOXONYAV-UHFFFAOYSA-N 0 1 271.364 2.966 20 30 CFEDMN C#CCCCCNC(=O)[C@H](c1ccccc1)N(C)CC ZINC000156635576 188274211 /nfs/dbraw/zinc/27/42/11/188274211.db2.gz HDTRYJYRLLBZMN-INIZCTEOSA-N 0 1 272.392 2.599 20 30 CFEDMN N#Cc1ccc(CN(CCO)Cc2ccccc2)s1 ZINC000158332406 188369675 /nfs/dbraw/zinc/36/96/75/188369675.db2.gz JTDPQRALGHQJCZ-UHFFFAOYSA-N 0 1 272.373 2.614 20 30 CFEDMN CCN(CCC#N)C(=O)c1cc(C2CCCCC2)[nH]n1 ZINC000158599552 188384350 /nfs/dbraw/zinc/38/43/50/188384350.db2.gz ILSWAHDUGLVQAR-UHFFFAOYSA-N 0 1 274.368 2.833 20 30 CFEDMN C=C(C)CN1CCC(Nc2nc(CCC)ns2)CC1 ZINC000292739712 198395460 /nfs/dbraw/zinc/39/54/60/198395460.db2.gz VACDWLJUFPYESH-UHFFFAOYSA-N 0 1 280.441 2.943 20 30 CFEDMN COC1(C)CCN(Cc2ccc(F)c(C#N)c2)CC1 ZINC000271698171 191282166 /nfs/dbraw/zinc/28/21/66/191282166.db2.gz GTWBMVNLAXZTCN-UHFFFAOYSA-N 0 1 262.328 2.698 20 30 CFEDMN C=CCCCN(C)C(=O)[C@@H]1C[C@H](C)Cc2c[nH]nc21 ZINC000623195367 353591969 /nfs/dbraw/zinc/59/19/69/353591969.db2.gz HTXUJWHQJJDKKR-DGCLKSJQSA-N 0 1 261.369 2.500 20 30 CFEDMN C=CC1CCN(C(=O)[C@@H]2C[C@H](C)Cc3c[nH]nc32)CC1 ZINC000623193099 353592324 /nfs/dbraw/zinc/59/23/24/353592324.db2.gz PAIGWRPDSFRDMK-BXUZGUMPSA-N 0 1 273.380 2.500 20 30 CFEDMN C=C[C@@H]1CCCCN1C(=O)[C@H]1C[C@H](C)Cc2c[nH]nc21 ZINC000623213482 353594112 /nfs/dbraw/zinc/59/41/12/353594112.db2.gz YJZLYVKJAZNSKN-BNOWGMLFSA-N 0 1 273.380 2.643 20 30 CFEDMN C=CC(C)(C)CCNC(=O)NC[C@@H]1CC[N@H+]1C1CCCC1 ZINC000624459493 353885169 /nfs/dbraw/zinc/88/51/69/353885169.db2.gz DIWNOMNEIJRAFF-HNNXBMFYSA-N 0 1 293.455 2.905 20 30 CFEDMN C=CC(C)(C)CCNC(=O)N1C[C@@H](C)N(CC)C[C@@H]1C ZINC000624464734 353886378 /nfs/dbraw/zinc/88/63/78/353886378.db2.gz NHMQBUBMPFJVPA-KGLIPLIRSA-N 0 1 281.444 2.713 20 30 CFEDMN C=CC[C@@H]1CCN(Cc2ncnn2-c2ccccc2)C1 ZINC000625701644 354089419 /nfs/dbraw/zinc/08/94/19/354089419.db2.gz LCOFFUOLLAHCCA-CQSZACIVSA-N 0 1 268.364 2.665 20 30 CFEDMN C=CC[C@@H]1CCN(CC(=O)N(CCC)CC(F)(F)F)C1 ZINC000625706049 354092588 /nfs/dbraw/zinc/09/25/88/354092588.db2.gz WRNFJDVPXGRFQQ-GFCCVEGCSA-N 0 1 292.345 2.685 20 30 CFEDMN C=CC[N@H+](C[C@@H]1CCCC[C@@H]1CC)[C@@H]1CCS(=O)(=O)C1 ZINC000628152091 354448931 /nfs/dbraw/zinc/44/89/31/354448931.db2.gz LTIRYFVCJIECCK-HRCADAONSA-N 0 1 299.480 2.878 20 30 CFEDMN C=CCN(C[C@@H]1CCCC[C@@H]1CC)[C@@H]1CCS(=O)(=O)C1 ZINC000628152091 354448933 /nfs/dbraw/zinc/44/89/33/354448933.db2.gz LTIRYFVCJIECCK-HRCADAONSA-N 0 1 299.480 2.878 20 30 CFEDMN C#CCCCCC(=O)Nc1ncc(C(F)(F)F)[nH]1 ZINC000271748068 191303900 /nfs/dbraw/zinc/30/39/00/191303900.db2.gz GTCVRIGUZZGCOD-UHFFFAOYSA-N 0 1 259.231 2.561 20 30 CFEDMN C#CC[C@H](NCC(=O)NCCC(C)(C)C)c1ccccc1 ZINC000271749442 191305271 /nfs/dbraw/zinc/30/52/71/191305271.db2.gz XFPABWWLDRDSKU-INIZCTEOSA-N 0 1 286.419 2.893 20 30 CFEDMN C=CC[C@@H]1CCN(C(=O)[C@@H](C)N2CCc3ccccc3C2)C1 ZINC000628488044 354605504 /nfs/dbraw/zinc/60/55/04/354605504.db2.gz QMEUEHKQUROBPS-HZPDHXFCSA-N 0 1 298.430 2.858 20 30 CFEDMN C=CC[C@H]1CCN(C(=O)c2cccc3[nH]c(C)nc32)C1 ZINC000628492227 354607974 /nfs/dbraw/zinc/60/79/74/354607974.db2.gz QDRVPNSRAZEYAO-LBPRGKRZSA-N 0 1 269.348 2.910 20 30 CFEDMN C=CCOc1cccc(C[N@H+]2CC[C@H](C(=O)[O-])[C@@H](C)C2)c1 ZINC000629772552 354928199 /nfs/dbraw/zinc/92/81/99/354928199.db2.gz RXQBMOGOPNMFJY-BBRMVZONSA-N 0 1 289.375 2.794 20 30 CFEDMN C=CCOCCNCc1cccc(F)c1Br ZINC000304208955 540044369 /nfs/dbraw/zinc/04/43/69/540044369.db2.gz DOHGYGFCVXLNMW-UHFFFAOYSA-N 0 1 288.160 2.880 20 30 CFEDMN CCc1nc([C@H](C)N[C@@H](C)c2cccc(C#N)c2)n[nH]1 ZINC000271861018 191373290 /nfs/dbraw/zinc/37/32/90/191373290.db2.gz KLNSDHMPHLEEKD-QWRGUYRKSA-N 0 1 269.352 2.651 20 30 CFEDMN C=CCNC(=O)CNC/C=C/c1c(C)cc(C)cc1C ZINC000631110212 355295708 /nfs/dbraw/zinc/29/57/08/355295708.db2.gz WMJWJFXFLSCEJH-VOTSOKGWSA-N 0 1 272.392 2.517 20 30 CFEDMN N#Cc1cc(F)c(N2CC[C@H](N3CCCCC3)C2)c(F)c1 ZINC000113427424 283097391 /nfs/dbraw/zinc/09/73/91/283097391.db2.gz IOYFUEUJJLFZGM-ZDUSSCGKSA-N 0 1 291.345 2.901 20 30 CFEDMN C=C1CC(C)(C(=O)NCCN(C)Cc2ccc(F)cc2)C1 ZINC000631625274 355519681 /nfs/dbraw/zinc/51/96/81/355519681.db2.gz VZQDOIFNGCEQDG-UHFFFAOYSA-N 0 1 290.382 2.730 20 30 CFEDMN C=C1CC(C)(C(=O)Nc2ccc3nc(N(C)C)[nH]c3c2)C1 ZINC000632780806 355743939 /nfs/dbraw/zinc/74/39/39/355743939.db2.gz OYDPJHXOFYJIGT-UHFFFAOYSA-N 0 1 284.363 2.924 20 30 CFEDMN N#Cc1ccc(C(=O)Nc2ncc(C(F)(F)F)[nH]2)s1 ZINC000334424858 283134819 /nfs/dbraw/zinc/13/48/19/283134819.db2.gz WTSWOVNZOGWKGS-UHFFFAOYSA-N 0 1 286.238 2.614 20 30 CFEDMN C=CCCC(C)(C)CNC(=O)CCSc1nnc(C)[nH]1 ZINC000633965059 356045349 /nfs/dbraw/zinc/04/53/49/356045349.db2.gz WPSTZQBBIDCALQ-UHFFFAOYSA-N 0 1 296.440 2.704 20 30 CFEDMN N#Cc1ccc(F)cc1CN1CC[C@@H]2C[C@H](O)CC[C@H]2C1 ZINC000451691434 283152516 /nfs/dbraw/zinc/15/25/16/283152516.db2.gz BYFPYTYGKNOKTB-HACGYAERSA-N 0 1 288.366 2.680 20 30 CFEDMN N#Cc1ccc(N2CCC[C@H](c3nc[nH]n3)C2)cc1Cl ZINC000378217189 283159843 /nfs/dbraw/zinc/15/98/43/283159843.db2.gz JLXRZMBCXIMEBH-NSHDSACASA-N 0 1 287.754 2.714 20 30 CFEDMN N#Cc1cnc(CN2CCC[C@@H]3CCCC[C@@H]32)nc1 ZINC000332213290 283229690 /nfs/dbraw/zinc/22/96/90/283229690.db2.gz JOVGYCFYRLEBMQ-KBPBESRZSA-N 0 1 256.353 2.503 20 30 CFEDMN N#Cc1csc(CN2C[C@@H](O)C[C@H]2c2ccccc2)c1 ZINC000335247002 283247717 /nfs/dbraw/zinc/24/77/17/283247717.db2.gz UEMOOQUXYCVLMT-HOCLYGCPSA-N 0 1 284.384 2.928 20 30 CFEDMN O=C(N[C@@H]1CCCCNC1=O)c1cc2[nH]cnc2cc1F ZINC000329213834 227355391 /nfs/dbraw/zinc/35/53/91/227355391.db2.gz KCKIUUSZBJJHDE-SNVBAGLBSA-N 0 1 290.298 2.516 20 30 CFEDMN CS[C@H]1CCN(Cc2cc(C#N)ccc2F)C1 ZINC000294385312 199020436 /nfs/dbraw/zinc/02/04/36/199020436.db2.gz IZQLINUVYQXWEB-LBPRGKRZSA-N 0 1 250.342 2.635 20 30 CFEDMN C=CCN(C)[C@@H]1CCN([C@H](C)c2ccc(F)cc2)C1=O ZINC000294479773 199056023 /nfs/dbraw/zinc/05/60/23/199056023.db2.gz HEYGMTKZHNBPNU-IUODEOHRSA-N 0 1 276.355 2.605 20 30 CFEDMN C#CCN(C)CCC[NH2+][C@@H](C)c1cc(Cl)ccc1[O-] ZINC000294546894 199081005 /nfs/dbraw/zinc/08/10/05/199081005.db2.gz AXGKYKGUVPHMLC-LBPRGKRZSA-N 0 1 280.799 2.651 20 30 CFEDMN C#C[C@H](C)NCc1cccc(Br)c1F ZINC000296980314 200052749 /nfs/dbraw/zinc/05/27/49/200052749.db2.gz VEVGNZFSHZQYJL-QMMMGPOBSA-N 0 1 256.118 2.700 20 30 CFEDMN C=CCCCN(C)C(=O)[C@H](N)c1cccc(Cl)c1 ZINC000159620139 540660139 /nfs/dbraw/zinc/66/01/39/540660139.db2.gz GHNMNGLBRPKAJZ-CYBMUJFWSA-N 0 1 266.772 2.764 20 30 CFEDMN C[C@@H]1CN(CCCNc2cccc(F)c2C#N)C[C@@H](C)O1 ZINC000298087105 200330675 /nfs/dbraw/zinc/33/06/75/200330675.db2.gz JEHPGXWCBMHKMQ-CHWSQXEVSA-N 0 1 291.370 2.609 20 30 CFEDMN CN(CC#Cc1ccc(Cl)cc1)CCn1cccn1 ZINC000177160381 189033177 /nfs/dbraw/zinc/03/31/77/189033177.db2.gz MRCFZUNYYKFSIE-UHFFFAOYSA-N 0 1 273.767 2.520 20 30 CFEDMN C=CCC[C@@H](O)CN1CCc2[nH]c3ccccc3c2C1 ZINC000178123555 189092007 /nfs/dbraw/zinc/09/20/07/189092007.db2.gz MTNVRBDRXPUDPS-CYBMUJFWSA-N 0 1 270.376 2.853 20 30 CFEDMN C=C[C@H]1CCCCN1C(=O)N[C@H]1CCCc2cn[nH]c21 ZINC000683840558 540782487 /nfs/dbraw/zinc/78/24/87/540782487.db2.gz ADXMFTYRVBELAZ-STQMWFEESA-N 0 1 274.368 2.537 20 30 CFEDMN C=CCCOCCNc1cc[nH+]c2c([O-])cccc12 ZINC000684579539 540870110 /nfs/dbraw/zinc/87/01/10/540870110.db2.gz NCQXWOPECXKWSM-UHFFFAOYSA-N 0 1 258.321 2.945 20 30 CFEDMN C=CCOc1ccc(CN2CCCO[C@@H](C)C2)cc1OC ZINC000179398391 189191261 /nfs/dbraw/zinc/19/12/61/189191261.db2.gz NWULKEFDWUEBCR-AWEZNQCLSA-N 0 1 291.391 2.871 20 30 CFEDMN C=CCOc1ccc(CN2CC[C@@](C)(O)C2)cc1Cl ZINC000180184475 189241698 /nfs/dbraw/zinc/24/16/98/189241698.db2.gz NQMZLHWZSOEHEC-OAHLLOKOSA-N 0 1 281.783 2.862 20 30 CFEDMN FC(F)(F)c1ccc(C#CCNCc2cn[nH]c2)cc1 ZINC000673930189 540995692 /nfs/dbraw/zinc/99/56/92/540995692.db2.gz TZUNHBDEONATPJ-UHFFFAOYSA-N 0 1 279.265 2.570 20 30 CFEDMN N#Cc1ccccc1OCCN1CCC2(CCCC2=O)CC1 ZINC000661954121 541031860 /nfs/dbraw/zinc/03/18/60/541031860.db2.gz IQUPBNHLGCBNAB-UHFFFAOYSA-N 0 1 298.386 2.772 20 30 CFEDMN N#Cc1cccc(C=CC(=O)Nc2nc(C3CCC3)n[nH]2)c1 ZINC000184617594 189390657 /nfs/dbraw/zinc/39/06/57/189390657.db2.gz PEDPVXIASMLCFU-BQYQJAHWSA-N 0 1 293.330 2.596 20 30 CFEDMN N#Cc1cccc(C=CC(=O)Nc2n[nH]c(C3CCC3)n2)c1 ZINC000184617594 189390658 /nfs/dbraw/zinc/39/06/58/189390658.db2.gz PEDPVXIASMLCFU-BQYQJAHWSA-N 0 1 293.330 2.596 20 30 CFEDMN C=CCCn1cc(CN2C[C@H](C(C)C)[C@H]2C(C)C)nn1 ZINC000668220102 541406578 /nfs/dbraw/zinc/40/65/78/541406578.db2.gz DBVIVFAGPNWNIP-HZPDHXFCSA-N 0 1 276.428 2.967 20 30 CFEDMN N#Cc1ccc(CN[C@H]2CCCO[C@@H]2c2ccncc2)o1 ZINC000275509460 193062318 /nfs/dbraw/zinc/06/23/18/193062318.db2.gz KFUVLVVOKJQJOV-JKSUJKDBSA-N 0 1 283.331 2.556 20 30 CFEDMN C=CCN(CC1CCCCC1)C(=O)[C@H](C)N(C)C ZINC000674289530 541555272 /nfs/dbraw/zinc/55/52/72/541555272.db2.gz JCODVJZEGQIHAQ-ZDUSSCGKSA-N 0 1 252.402 2.531 20 30 CFEDMN C=C[C@H](C)NC(=O)NC[C@@H](c1ccc(Cl)cc1)N(C)C ZINC000674933629 541609081 /nfs/dbraw/zinc/60/90/81/541609081.db2.gz DLTIHXYSMWJWCI-FZMZJTMJSA-N 0 1 295.814 2.816 20 30 CFEDMN C=C[C@H](C)NC(=O)NC[C@H](c1ccc(Cl)cc1)N(C)C ZINC000674933631 541609137 /nfs/dbraw/zinc/60/91/37/541609137.db2.gz DLTIHXYSMWJWCI-SMDDNHRTSA-N 0 1 295.814 2.816 20 30 CFEDMN N#Cc1cccnc1N1CCN(CCC2=CCCCC2)CC1 ZINC000450224110 242313951 /nfs/dbraw/zinc/31/39/51/242313951.db2.gz SALQGNOEIDFDHF-UHFFFAOYSA-N 0 1 296.418 2.966 20 30 CFEDMN N#Cc1cc(Cl)ccc1CN(CCO)C1CCC1 ZINC000275922240 193163756 /nfs/dbraw/zinc/16/37/56/193163756.db2.gz ZMDLRCYRSJAFCH-UHFFFAOYSA-N 0 1 264.756 2.558 20 30 CFEDMN C=CCNC(=O)CN1CCc2ccccc2[C@H]1C(C)C ZINC000675642763 541675792 /nfs/dbraw/zinc/67/57/92/541675792.db2.gz NCYZIPHHHKPHAU-QGZVFWFLSA-N 0 1 272.392 2.544 20 30 CFEDMN CC[C@@H]1CN(CC)CCN1C(=O)[C@@H](C)c1cccc(C#N)c1 ZINC000456390876 244169915 /nfs/dbraw/zinc/16/99/15/244169915.db2.gz WECTYUTWAGRYSN-WMLDXEAASA-N 0 1 299.418 2.604 20 30 CFEDMN C=CCCN(C)C(=O)c1cc(-c2cccc(OC)c2)[nH]n1 ZINC000276462764 193340348 /nfs/dbraw/zinc/34/03/48/193340348.db2.gz WFKRSSGRAGCYCW-UHFFFAOYSA-N 0 1 285.347 2.733 20 30 CFEDMN C#CCC1(C(=O)N[C@@H]2CCCc3cn[nH]c32)CCCCC1 ZINC000276524070 193367095 /nfs/dbraw/zinc/36/70/95/193367095.db2.gz JZOAZLZIBAQKED-CQSZACIVSA-N 0 1 285.391 2.877 20 30 CFEDMN C#CCC1(C(=O)N[C@H]2CCCc3cn[nH]c32)CCCCC1 ZINC000276524065 193367143 /nfs/dbraw/zinc/36/71/43/193367143.db2.gz JZOAZLZIBAQKED-AWEZNQCLSA-N 0 1 285.391 2.877 20 30 CFEDMN COCC#CCSc1n[nH]c(CCC2CCCC2)n1 ZINC000677131424 541825148 /nfs/dbraw/zinc/82/51/48/541825148.db2.gz MHZQNAUTDRKAQV-UHFFFAOYSA-N 0 1 279.409 2.669 20 30 CFEDMN COCC#CCSc1nc(CCC2CCCC2)n[nH]1 ZINC000677131424 541825151 /nfs/dbraw/zinc/82/51/51/541825151.db2.gz MHZQNAUTDRKAQV-UHFFFAOYSA-N 0 1 279.409 2.669 20 30 CFEDMN C=C(C)[C@@H](CO)Sc1nc(-c2ccccc2F)n[nH]1 ZINC000677131663 541826091 /nfs/dbraw/zinc/82/60/91/541826091.db2.gz RBOXYBBUXUIXOB-LLVKDONJSA-N 0 1 279.340 2.640 20 30 CFEDMN N#Cc1ccc(CNCc2cnc(C3CC3)nc2)cc1F ZINC000459564698 245219012 /nfs/dbraw/zinc/21/90/12/245219012.db2.gz SOCBQDGEJFOYCM-UHFFFAOYSA-N 0 1 282.322 2.655 20 30 CFEDMN C[C@@H]1CCC[C@](C#N)(NC(=O)c2n[nH]c3ccccc32)C1 ZINC000116810255 376207011 /nfs/dbraw/zinc/20/70/11/376207011.db2.gz WFOOYWBMBRGTFE-BZNIZROVSA-N 0 1 282.347 2.765 20 30 CFEDMN CN(CCc1ccccn1)Cc1ccc(C#N)cc1F ZINC000019844112 372197360 /nfs/dbraw/zinc/19/73/60/372197360.db2.gz MSUXWAKMPFPEQZ-UHFFFAOYSA-N 0 1 269.323 2.767 20 30 CFEDMN N#CC1CCN(CCOc2ccc(Cl)cc2)CC1 ZINC000032113799 372429137 /nfs/dbraw/zinc/42/91/37/372429137.db2.gz OFUMADYKNKVMCC-UHFFFAOYSA-N 0 1 264.756 2.954 20 30 CFEDMN CCN1CCN(c2ccc(C#N)c(C(F)(F)F)c2)CC1 ZINC000037306417 372664484 /nfs/dbraw/zinc/66/44/84/372664484.db2.gz SDYPNRIBTAZEDI-UHFFFAOYSA-N 0 1 283.297 2.719 20 30 CFEDMN N#Cc1cccc(CNCc2ccc([N+](=O)[O-])cc2)c1 ZINC000037668280 372689365 /nfs/dbraw/zinc/68/93/65/372689365.db2.gz UPCKIJGLWYZHSH-UHFFFAOYSA-N 0 1 267.288 2.756 20 30 CFEDMN C=CCCO[C@H](C)C(=O)Nc1ccc2nc(C)[nH]c2c1 ZINC000049341208 373288023 /nfs/dbraw/zinc/28/80/23/373288023.db2.gz ZZXYFNQLOUYIPQ-SNVBAGLBSA-N 0 1 273.336 2.791 20 30 CFEDMN N#Cc1ccc(C[N@@H+]2CCC[C@@H](CCC(=O)[O-])C2)cc1 ZINC000049842178 373321856 /nfs/dbraw/zinc/32/18/56/373321856.db2.gz VKVVIBNHWBCNGE-AWEZNQCLSA-N 0 1 272.348 2.635 20 30 CFEDMN CCN(CC(=O)N1CCCC1)[C@@H](C)c1ccc(C#N)cc1 ZINC000054340335 373520908 /nfs/dbraw/zinc/52/09/08/373520908.db2.gz QRELAIBAKBWCJU-AWEZNQCLSA-N 0 1 285.391 2.564 20 30 CFEDMN Cc1cccc(N2CCN(CCCC#N)CC2)c1C ZINC000058551388 373660925 /nfs/dbraw/zinc/66/09/25/373660925.db2.gz IUONCOBBCJBURT-UHFFFAOYSA-N 0 1 257.381 2.729 20 30 CFEDMN CCCCN(C)CC(=O)N(CCC#N)c1ccccc1 ZINC000058874873 373675039 /nfs/dbraw/zinc/67/50/39/373675039.db2.gz ZRRAXTFGKVYCBP-UHFFFAOYSA-N 0 1 273.380 2.665 20 30 CFEDMN C=CCOc1ccc(CN[C@H](C)C(=O)NC(C)(C)C)cc1 ZINC000062258325 373756682 /nfs/dbraw/zinc/75/66/82/373756682.db2.gz IEBKNORWCJWAOG-CYBMUJFWSA-N 0 1 290.407 2.644 20 30 CFEDMN CN(CCOc1cccc(C#N)c1)CCC(F)(F)F ZINC000064635522 373832292 /nfs/dbraw/zinc/83/22/92/373832292.db2.gz WBXFINWSHIFMSB-UHFFFAOYSA-N 0 1 272.270 2.821 20 30 CFEDMN N#Cc1ccsc1NC(=O)CN(C1CC1)C1CCCC1 ZINC000064808167 373835591 /nfs/dbraw/zinc/83/55/91/373835591.db2.gz PJRXCPZGGPCLLR-UHFFFAOYSA-N 0 1 289.404 2.965 20 30 CFEDMN C=CC[C@H](Cc1ccccc1)NC(=O)[C@@H]1C[C@H]1c1cnc[nH]1 ZINC000636028843 383695555 /nfs/dbraw/zinc/69/55/55/383695555.db2.gz RHNMYWJYZJOSJI-BZUAXINKSA-N 0 1 295.386 2.817 20 30 CFEDMN C=CCSCCNC(=O)[C@@H]1CCCC[N@H+]1C1CCCC1 ZINC000431807666 383697832 /nfs/dbraw/zinc/69/78/32/383697832.db2.gz HRXGYWCEMVUPSA-HNNXBMFYSA-N 0 1 296.480 2.819 20 30 CFEDMN C=CCNC(=O)[C@H](C)N(C)Cc1ccc(C(C)C)cc1 ZINC000070741544 374202937 /nfs/dbraw/zinc/20/29/37/374202937.db2.gz FXZOIQOAZOTVPL-AWEZNQCLSA-N 0 1 274.408 2.933 20 30 CFEDMN CCN(CC#CCOC)Cc1ccc(Cl)cc1 ZINC000677818853 541909547 /nfs/dbraw/zinc/90/95/47/541909547.db2.gz XDPVMUSERFPXTK-UHFFFAOYSA-N 0 1 251.757 2.812 20 30 CFEDMN COCC#CCN(C)Cc1cccc(OC(C)C)c1 ZINC000677820058 541911354 /nfs/dbraw/zinc/91/13/54/541911354.db2.gz WHXHGKMDJDBWLL-UHFFFAOYSA-N 0 1 261.365 2.555 20 30 CFEDMN N#Cc1cccc(NC(=O)c2cc(F)ccc2O)c1 ZINC000075912370 374512714 /nfs/dbraw/zinc/51/27/14/374512714.db2.gz HUUKAEMNSLVUMT-UHFFFAOYSA-N 0 1 256.236 2.655 20 30 CFEDMN CCN(CCC#N)C(=O)CN1CCC[C@H]1c1cccs1 ZINC000076604239 374554608 /nfs/dbraw/zinc/55/46/08/374554608.db2.gz ZMNOQXTXRSCYQE-ZDUSSCGKSA-N 0 1 291.420 2.647 20 30 CFEDMN COc1ccc(CNCc2ncccc2C)cc1C#N ZINC000087824288 374830910 /nfs/dbraw/zinc/83/09/10/374830910.db2.gz GIOBMSZDHQAGQH-UHFFFAOYSA-N 0 1 267.332 2.560 20 30 CFEDMN CCc1noc(CC)c1CNCc1cccc(C#N)c1 ZINC000088745746 374862566 /nfs/dbraw/zinc/86/25/66/374862566.db2.gz WJJLOHQWJGLVRH-UHFFFAOYSA-N 0 1 269.348 2.961 20 30 CFEDMN C[C@@H]1CN(Cc2ccc(N(C)CCC#N)cc2)[C@H](C)CO1 ZINC000092018007 375082637 /nfs/dbraw/zinc/08/26/37/375082637.db2.gz DIRYJWADDNVYND-HUUCEWRRSA-N 0 1 287.407 2.646 20 30 CFEDMN N#Cc1ccc(CN(CCc2ccccc2)[C@H]2CCOC2)o1 ZINC000091902349 375069173 /nfs/dbraw/zinc/06/91/73/375069173.db2.gz FRXWJWGTXKLQGH-INIZCTEOSA-N 0 1 296.370 2.985 20 30 CFEDMN C=CC1CCN(Cc2cnc3ccc(C#N)cn23)CC1 ZINC000093359215 375221143 /nfs/dbraw/zinc/22/11/43/375221143.db2.gz ILAZSCGKZNJMLQ-UHFFFAOYSA-N 0 1 266.348 2.604 20 30 CFEDMN COc1cc(F)cc(CNCc2ccc(C#N)cc2)c1 ZINC000093970590 375334171 /nfs/dbraw/zinc/33/41/71/375334171.db2.gz HUEKTJFOYCBXHZ-UHFFFAOYSA-N 0 1 270.307 2.996 20 30 CFEDMN C=CCOc1ccc(CN2CCc3cn[nH]c3C2)cc1OC ZINC000678276032 541996963 /nfs/dbraw/zinc/99/69/63/541996963.db2.gz RPDCNJVAXPWXDX-UHFFFAOYSA-N 0 1 299.374 2.541 20 30 CFEDMN Cc1ccoc1C(=O)C(C#N)c1nc2ccccc2n1C ZINC000097261717 375546192 /nfs/dbraw/zinc/54/61/92/375546192.db2.gz JSFXDGDDAYLTKL-LLVKDONJSA-N 0 1 279.299 2.965 20 30 CFEDMN C#CCN1CCC(C(=O)N(C)[C@H](C)c2cccs2)CC1 ZINC000098092924 375601594 /nfs/dbraw/zinc/60/15/94/375601594.db2.gz ALWJWYQUCQGVGV-CYBMUJFWSA-N 0 1 290.432 2.613 20 30 CFEDMN N#Cc1cccc(NC(=O)C[N@H+]2CCC[C@@H]2C2CCC2)c1 ZINC000102926693 375701941 /nfs/dbraw/zinc/70/19/41/375701941.db2.gz XDPHPWIXMJDVND-MRXNPFEDSA-N 0 1 283.375 2.761 20 30 CFEDMN CCC#C[C@@H](C)N1CCC[C@H](c2nncn2C2CC2)C1 ZINC000678717899 542061413 /nfs/dbraw/zinc/06/14/13/542061413.db2.gz ASVYBGJUAGKGBO-KGLIPLIRSA-N 0 1 272.396 2.594 20 30 CFEDMN C=C(CC)C[N@H+]1CCc2c(cccc2NC(C)=O)C1 ZINC000678623954 542055489 /nfs/dbraw/zinc/05/54/89/542055489.db2.gz YTPLVAYCWDICLR-UHFFFAOYSA-N 0 1 258.365 2.969 20 30 CFEDMN C=C(C)[C@@H](CO)N[C@H](C)c1ccccc1OC(F)F ZINC000678737073 542062962 /nfs/dbraw/zinc/06/29/62/542062962.db2.gz JPKGEAMRUGIGAD-ZYHUDNBSSA-N 0 1 271.307 2.876 20 30 CFEDMN COCC#CCN[C@H](C)c1ccccc1OC(F)F ZINC000678738112 542063067 /nfs/dbraw/zinc/06/30/67/542063067.db2.gz XUMUKSHJHGDUGU-LLVKDONJSA-N 0 1 269.291 2.588 20 30 CFEDMN CC(C)[C@@](C)(C#N)NC(=O)[C@@H](C)N1CCCC(C)(C)C1 ZINC000112702824 375950111 /nfs/dbraw/zinc/95/01/11/375950111.db2.gz LFKWIIMMOQCNMO-CZUORRHYSA-N 0 1 279.428 2.551 20 30 CFEDMN C[C@@H](NCC(=O)Nc1cccc(F)c1)c1ccc(C#N)cc1 ZINC000119327328 376394939 /nfs/dbraw/zinc/39/49/39/376394939.db2.gz UELWAJQIZHTWBF-GFCCVEGCSA-N 0 1 297.333 2.987 20 30 CFEDMN C=C(C)CN(CC)C(=O)[C@@H](C)N1CC[C@H](OCC(C)C)C1 ZINC000119857950 376490397 /nfs/dbraw/zinc/49/03/97/376490397.db2.gz UNJBJKLQNAXIGF-CVEARBPZSA-N 0 1 296.455 2.546 20 30 CFEDMN CN(CCC1CCOCC1)Cc1ccccc1C#N ZINC000120729509 376680522 /nfs/dbraw/zinc/68/05/22/376680522.db2.gz SBPKADDBUHKCKG-UHFFFAOYSA-N 0 1 258.365 2.807 20 30 CFEDMN CC(C)(C)CNC(=O)C(C)(C)NCc1cc(C#N)cs1 ZINC000121221759 376783469 /nfs/dbraw/zinc/78/34/69/376783469.db2.gz IIYKRZFVICXYSN-UHFFFAOYSA-N 0 1 293.436 2.650 20 30 CFEDMN CN(CCOc1ccc(F)cc1)Cc1ccc(C#N)o1 ZINC000121472815 376838957 /nfs/dbraw/zinc/83/89/57/376838957.db2.gz YWNYOARUQPRMPR-UHFFFAOYSA-N 0 1 274.295 2.801 20 30 CFEDMN CCN(CC)[C@H](C(=O)N(C)C[C@H](C)C#N)c1ccccc1 ZINC000264257362 383717046 /nfs/dbraw/zinc/71/70/46/383717046.db2.gz SEGCULMVJPRXSN-ZBFHGGJFSA-N 0 1 287.407 2.688 20 30 CFEDMN C=CCOc1ccc(C[N@@H+](C)C[C@H]2CCCO2)cc1OC ZINC000124633503 377072315 /nfs/dbraw/zinc/07/23/15/377072315.db2.gz UJLCCWHFUHGPTH-OAHLLOKOSA-N 0 1 291.391 2.871 20 30 CFEDMN N#Cc1ccccc1OCCSc1nc(C2CC2)n[nH]1 ZINC000124967152 377106058 /nfs/dbraw/zinc/10/60/58/377106058.db2.gz MLAQFQGQSWDCTO-UHFFFAOYSA-N 0 1 286.360 2.725 20 30 CFEDMN N#Cc1ccccc1OCCSc1n[nH]c(C2CC2)n1 ZINC000124967152 377106069 /nfs/dbraw/zinc/10/60/69/377106069.db2.gz MLAQFQGQSWDCTO-UHFFFAOYSA-N 0 1 286.360 2.725 20 30 CFEDMN C[C@H]1CCC[C@H](C)[N@@H+](CC(=O)NC2(C#N)CCCCC2)C1 ZINC000125260969 377133788 /nfs/dbraw/zinc/13/37/88/377133788.db2.gz QUDQFHMGDCITSC-GJZGRUSLSA-N 0 1 291.439 2.840 20 30 CFEDMN CC1(C)CC[C@H]1NCc1nnc(-c2cccc(C#N)c2)o1 ZINC000571697126 383718611 /nfs/dbraw/zinc/71/86/11/383718611.db2.gz CEQQTBZCSFBMHO-CYBMUJFWSA-N 0 1 282.347 2.886 20 30 CFEDMN C=C(Br)CN(C)[C@@H]1[C@@H]2CCO[C@@H]2C1(C)C ZINC000125589743 377172525 /nfs/dbraw/zinc/17/25/25/377172525.db2.gz WCCNUKSJGUIWFE-AXFHLTTASA-N 0 1 274.202 2.640 20 30 CFEDMN CC(C)C(N)=NOCc1nnc(-c2ccccc2)s1 ZINC000128430809 377337170 /nfs/dbraw/zinc/33/71/70/377337170.db2.gz CSBSIRZHUMHYAR-UHFFFAOYSA-N 0 1 276.365 2.650 20 30 CFEDMN N#Cc1ccc(F)cc1CSc1nc(C2CC2)n[nH]1 ZINC000130453779 377561441 /nfs/dbraw/zinc/56/14/41/377561441.db2.gz UWSDLOQHFHLZAS-UHFFFAOYSA-N 0 1 274.324 2.985 20 30 CFEDMN N#Cc1ccc(F)cc1CSc1n[nH]c(C2CC2)n1 ZINC000130453779 377561450 /nfs/dbraw/zinc/56/14/50/377561450.db2.gz UWSDLOQHFHLZAS-UHFFFAOYSA-N 0 1 274.324 2.985 20 30 CFEDMN C=CCOCCNCc1c(F)cccc1N1CCCC1 ZINC000679486544 542197348 /nfs/dbraw/zinc/19/73/48/542197348.db2.gz WWJZNCPCAISXPZ-UHFFFAOYSA-N 0 1 278.371 2.718 20 30 CFEDMN C=CCC[C@@H](O)C[N@@H+]1CCCC[C@@H]1c1cccn1C ZINC000132861700 377883572 /nfs/dbraw/zinc/88/35/72/377883572.db2.gz ZLEHPNWOZJVOST-GDBMZVCRSA-N 0 1 262.397 2.879 20 30 CFEDMN COc1ccc(CN2CCS[C@H](C)[C@H]2C)cc1C#N ZINC000135087740 378082084 /nfs/dbraw/zinc/08/20/84/378082084.db2.gz ZIAQWGFZZLMUEE-VXGBXAGGSA-N 0 1 276.405 2.893 20 30 CFEDMN COc1cccc2c1CC[C@H]2NCc1ccc(C#N)o1 ZINC000151910920 378372602 /nfs/dbraw/zinc/37/26/02/378372602.db2.gz WQDZPJRCJGYLLI-OAHLLOKOSA-N 0 1 268.316 2.937 20 30 CFEDMN Cc1noc(C(C)C)c1C(=O)N[C@@H]1CCc2nc[nH]c2C1 ZINC000328954506 378444046 /nfs/dbraw/zinc/44/40/46/378444046.db2.gz OMGRAVLJWACDAI-SNVBAGLBSA-N 0 1 288.351 2.692 20 30 CFEDMN Cc1nc(C(=O)NC[C@@H]2CCCCN2C2CC2)c(C)o1 ZINC000328998414 378447260 /nfs/dbraw/zinc/44/72/60/378447260.db2.gz KLLNLFWQGGWBGV-ZDUSSCGKSA-N 0 1 277.368 2.613 20 30 CFEDMN CO[C@@H]1CCC[C@@H]1CNC(=O)[C@@H]1CCCc2[nH]ncc21 ZINC000329316270 378452715 /nfs/dbraw/zinc/45/27/15/378452715.db2.gz QOEVJZJFZSVJET-JTNHKYCSSA-N 0 1 277.368 2.601 20 30 CFEDMN C=CCN(C)C(=O)c1cc(-c2ccccc2Cl)[nH]n1 ZINC000152895473 378456497 /nfs/dbraw/zinc/45/64/97/378456497.db2.gz ZZHMAQALAFUXBX-UHFFFAOYSA-N 0 1 275.739 2.988 20 30 CFEDMN CC1(C)CCCN(CCNC(=O)c2conc2C2CC2)C1 ZINC000329594474 378466677 /nfs/dbraw/zinc/46/66/77/378466677.db2.gz VAXCMLVGQJADIF-UHFFFAOYSA-N 0 1 291.395 2.979 20 30 CFEDMN Cc1cc(C[C@H](C)NC(=O)[C@@H]2CCC(=O)[C@H](C)C2)n[nH]1 ZINC000328926430 378440608 /nfs/dbraw/zinc/44/06/08/378440608.db2.gz FGFUWZAXWNKYDS-JFGNBEQYSA-N 0 1 277.368 2.611 20 30 CFEDMN CCc1nnsc1C(=O)N[C@H](C)CN1CCC[C@@H](C)C1 ZINC000330576097 378587265 /nfs/dbraw/zinc/58/72/65/378587265.db2.gz QHKYYNBMVWRBKJ-GHMZBOCLSA-N 0 1 296.440 2.526 20 30 CFEDMN CCC(=O)N[C@@H]1CCCN([C@@H](C)c2cccc(C#N)c2)C1 ZINC000331272799 378661496 /nfs/dbraw/zinc/66/14/96/378661496.db2.gz OFYADYBSGIZIKG-XJKSGUPXSA-N 0 1 285.391 2.610 20 30 CFEDMN Cc1cc(C[C@H](C)NC(=O)Nc2ccc(CC#N)cc2)n[nH]1 ZINC000158065239 378662378 /nfs/dbraw/zinc/66/23/78/378662378.db2.gz IZVBKLVXABFHHA-NSHDSACASA-N 0 1 297.362 2.537 20 30 CFEDMN N#Cc1ccc([C@H](O)CN2CCc3cccc(F)c3C2)cc1 ZINC000158048968 378662429 /nfs/dbraw/zinc/66/24/29/378662429.db2.gz UAYOXWCDIYVTCD-GOSISDBHSA-N 0 1 296.345 2.789 20 30 CFEDMN N#CCCN(Cc1ccco1)C(=O)c1cccc2[nH]cnc21 ZINC000159263118 378698536 /nfs/dbraw/zinc/69/85/36/378698536.db2.gz JWGIBQGWJHYPGN-UHFFFAOYSA-N 0 1 294.314 2.712 20 30 CFEDMN C[C@@H](O)[C@H]1CCCCN1Cc1cn2ccccc2c1C#N ZINC000264370449 383731586 /nfs/dbraw/zinc/73/15/86/383731586.db2.gz AVKFOLWSKDCCQT-CZUORRHYSA-N 0 1 283.375 2.546 20 30 CFEDMN Cc1n[nH]c([C@H]2CCCN(Cc3ccc(F)cc3C#N)C2)n1 ZINC000332382813 378756717 /nfs/dbraw/zinc/75/67/17/378756717.db2.gz YZTPOQQHTIVKQL-ZDUSSCGKSA-N 0 1 299.353 2.504 20 30 CFEDMN Cc1nnc([C@H]2CCCN(Cc3ccc(F)cc3C#N)C2)[nH]1 ZINC000332382813 378756720 /nfs/dbraw/zinc/75/67/20/378756720.db2.gz YZTPOQQHTIVKQL-ZDUSSCGKSA-N 0 1 299.353 2.504 20 30 CFEDMN N#Cc1ccc(CN2CC[C@]3(O)CCCC[C@@H]3C2)c(F)c1 ZINC000160442037 378771489 /nfs/dbraw/zinc/77/14/89/378771489.db2.gz ZTWDTWGVISTJJF-NVXWUHKLSA-N 0 1 288.366 2.824 20 30 CFEDMN C=C[C@H](C)NC(=O)c1cc(Br)cc2nc[nH]c21 ZINC000334182789 378902074 /nfs/dbraw/zinc/90/20/74/378902074.db2.gz FIBSMWORFRUJEE-ZETCQYMHSA-N 0 1 294.152 2.630 20 30 CFEDMN C#CCN1CCC(C(=O)N2CCCC[C@@H]2CC(C)C)CC1 ZINC000162859172 378937959 /nfs/dbraw/zinc/93/79/59/378937959.db2.gz MOPNYRNDRPSKLC-QGZVFWFLSA-N 0 1 290.451 2.759 20 30 CFEDMN Cc1n[nH]c(C(C)C)c1C(=O)N1CCC(C)(C#N)CC1 ZINC000334226304 378951665 /nfs/dbraw/zinc/95/16/65/378951665.db2.gz ZNWXAAMWSXCSKN-UHFFFAOYSA-N 0 1 274.368 2.607 20 30 CFEDMN Cn1cc(CN2CCC[C@@H]2c2cccnc2)cc1C#N ZINC000335281850 379022277 /nfs/dbraw/zinc/02/22/77/379022277.db2.gz ZXFLXHHDUCEPAY-MRXNPFEDSA-N 0 1 266.348 2.629 20 30 CFEDMN CC(C)(C)[C@@H]1CCN(Cc2cc(C#N)cs2)C[C@H]1O ZINC000334315478 379080775 /nfs/dbraw/zinc/08/07/75/379080775.db2.gz QWEWEZSLCBRVLM-ZIAGYGMSSA-N 0 1 278.421 2.849 20 30 CFEDMN C=C[C@@H]1CCCCN1Cc1cnc2n[nH]c(C)c2c1 ZINC000334389102 379210468 /nfs/dbraw/zinc/21/04/68/379210468.db2.gz RJEJJKCTZKHJGS-CYBMUJFWSA-N 0 1 256.353 2.807 20 30 CFEDMN Cc1cc(CN[C@@H]2c3ccccc3C[C@@H]2O)ccc1C#N ZINC000334399208 379229673 /nfs/dbraw/zinc/22/96/73/379229673.db2.gz XNIITAOVLRWZCT-ZWKOTPCHSA-N 0 1 278.355 2.615 20 30 CFEDMN C[C@H]1Oc2cc(F)ccc2[C@@H]1NCc1cc(C#N)n(C)c1 ZINC000334432547 379290773 /nfs/dbraw/zinc/29/07/73/379290773.db2.gz WXOXGZXCNJJYPT-QLJPJBMISA-N 0 1 285.322 2.648 20 30 CFEDMN N#C[C@@H]1CN(CC2CCCC2)C[C@]12c1ccccc1NC2=O ZINC000334426858 379278449 /nfs/dbraw/zinc/27/84/49/379278449.db2.gz ZHRDKJVVTURLHN-RDTXWAMCSA-N 0 1 295.386 2.522 20 30 CFEDMN COC1(C)CCN(Cc2cc(C#N)cs2)CC1 ZINC000334477380 379369190 /nfs/dbraw/zinc/36/91/90/379369190.db2.gz QCKGJMMHXGUBFX-UHFFFAOYSA-N 0 1 250.367 2.621 20 30 CFEDMN CC(C)N1CC[C@H](Nc2ncc(C#N)cc2Cl)C1 ZINC000172150508 379501519 /nfs/dbraw/zinc/50/15/19/379501519.db2.gz RNOGRVVZIUFXKC-NSHDSACASA-N 0 1 264.760 2.501 20 30 CFEDMN C[C@@H]1C[C@@H](CO)C[N@@H+](Cc2ccc(C#N)cc2Cl)C1 ZINC000335557361 379507706 /nfs/dbraw/zinc/50/77/06/379507706.db2.gz UXMBMSMYUNLLAD-DGCLKSJQSA-N 0 1 278.783 2.662 20 30 CFEDMN C[C@@H]1C[C@@H](CO)CN(Cc2ccc(C#N)cc2Cl)C1 ZINC000335557361 379507717 /nfs/dbraw/zinc/50/77/17/379507717.db2.gz UXMBMSMYUNLLAD-DGCLKSJQSA-N 0 1 278.783 2.662 20 30 CFEDMN CC(C)n1cc(C#N)c(=NC(=O)[C@@H]2CCCC[C@H]2C)[nH]1 ZINC000335605434 379592289 /nfs/dbraw/zinc/59/22/89/379592289.db2.gz RFXKXXFNYBVWKA-DGCLKSJQSA-N 0 1 274.368 2.522 20 30 CFEDMN Cc1c(C#N)cccc1NC(=O)N[C@@H]1CCCc2cn[nH]c21 ZINC000334579028 379566725 /nfs/dbraw/zinc/56/67/25/379566725.db2.gz ZZPDTGXHEFKNQS-CQSZACIVSA-N 0 1 295.346 2.789 20 30 CFEDMN N#Cc1ccccc1CN1CCC[C@H](N2CCCC2=O)CC1 ZINC000334635907 379675202 /nfs/dbraw/zinc/67/52/02/379675202.db2.gz HRICIYDBEPSADI-KRWDZBQOSA-N 0 1 297.402 2.535 20 30 CFEDMN Cn1ncc2c1CCC[C@H]2NCc1ccc(C#N)c(F)c1 ZINC000334671115 379742501 /nfs/dbraw/zinc/74/25/01/379742501.db2.gz NMQHZFLPTZSXOR-OAHLLOKOSA-N 0 1 284.338 2.598 20 30 CFEDMN C[C@H]1CCN(C(=O)C(C)(C)C#N)CCN1Cc1ccccc1 ZINC000173517874 379746629 /nfs/dbraw/zinc/74/66/29/379746629.db2.gz NYWLTJIRRDUHDY-HNNXBMFYSA-N 0 1 299.418 2.659 20 30 CFEDMN N#Cc1ccc2ncc(CN3CCSC[C@@H]3C3CC3)n2c1 ZINC000334679207 379753859 /nfs/dbraw/zinc/75/38/59/379753859.db2.gz LKSJPEBUPYGQOO-OAHLLOKOSA-N 0 1 298.415 2.533 20 30 CFEDMN Cc1cc(C#N)ccc1C(=O)N1C[C@H]2CCCCN2C[C@@H]1C ZINC000335716334 379775128 /nfs/dbraw/zinc/77/51/28/379775128.db2.gz PNUWWYVDKKCINL-GOEBONIOSA-N 0 1 297.402 2.566 20 30 CFEDMN C[C@H](NCc1ccc(C#N)o1)c1ccc(-n2cncn2)cc1 ZINC000174244766 379850470 /nfs/dbraw/zinc/85/04/70/379850470.db2.gz QHQNAEOXZMMGSR-LBPRGKRZSA-N 0 1 293.330 2.583 20 30 CFEDMN COCc1ccc(CNCc2ccc(C#N)o2)cc1 ZINC000174257178 379852131 /nfs/dbraw/zinc/85/21/31/379852131.db2.gz QHRJRLWTAZAFJD-UHFFFAOYSA-N 0 1 256.305 2.587 20 30 CFEDMN CO[C@@H]1CCN(Cc2ccc(C#N)cc2F)C[C@@H]1C ZINC000334740343 379858269 /nfs/dbraw/zinc/85/82/69/379858269.db2.gz VTZJQPHWRLXVAX-XHDPSFHLSA-N 0 1 262.328 2.554 20 30 CFEDMN C[C@@H]1CN(C(=O)c2ccc(C(C)(C)C#N)cc2)[C@H](C)CN1C ZINC000335782154 379878883 /nfs/dbraw/zinc/87/88/83/379878883.db2.gz YKBDVFWQVYHGDN-ZIAGYGMSSA-N 0 1 299.418 2.652 20 30 CFEDMN N#Cc1ccc(NC(=O)CN2CCCC23CCC3)cc1 ZINC000335873767 380031833 /nfs/dbraw/zinc/03/18/33/380031833.db2.gz AKMNRKKQFAFZBP-UHFFFAOYSA-N 0 1 269.348 2.515 20 30 CFEDMN C[C@H](c1ccc([S@](C)=O)cc1)N(C)CCCC#N ZINC000175395115 380057339 /nfs/dbraw/zinc/05/73/39/380057339.db2.gz BTICISYNDVHHPQ-XIKOKIGWSA-N 0 1 264.394 2.721 20 30 CFEDMN N#Cc1ccccc1C[N@H+]1C[C@@H](O)C[C@H]1c1ccccc1 ZINC000335251570 380083560 /nfs/dbraw/zinc/08/35/60/380083560.db2.gz YJPXMDZSYZYRON-ROUUACIJSA-N 0 1 278.355 2.866 20 30 CFEDMN N#Cc1ccccc1CN1C[C@@H](O)C[C@H]1c1ccccc1 ZINC000335251570 380083568 /nfs/dbraw/zinc/08/35/68/380083568.db2.gz YJPXMDZSYZYRON-ROUUACIJSA-N 0 1 278.355 2.866 20 30 CFEDMN CC[N@H+]1CC[C@H](N(C)C(=O)c2cc(C#N)cs2)C[C@H]1C ZINC000335884322 380049418 /nfs/dbraw/zinc/04/94/18/380049418.db2.gz PTKNSIOKIBWINM-YPMHNXCESA-N 0 1 291.420 2.565 20 30 CFEDMN N#Cc1ccc(CN2CCC[C@H]2[C@@H]2CCCO2)c(F)c1 ZINC000335933778 380124175 /nfs/dbraw/zinc/12/41/75/380124175.db2.gz UNQDPMWTRYSITK-HOTGVXAUSA-N 0 1 274.339 2.841 20 30 CFEDMN N#C[C@H](NC(=O)c1n[nH]c2ccccc21)C1CCCCC1 ZINC000176616598 380257499 /nfs/dbraw/zinc/25/74/99/380257499.db2.gz PTRDVNYQXWYIOF-AWEZNQCLSA-N 0 1 282.347 2.765 20 30 CFEDMN C[C@@H]1C[C@@]1(C#N)C(=O)Nc1cc(F)cc(Cl)c1O ZINC000336265220 380302576 /nfs/dbraw/zinc/30/25/76/380302576.db2.gz AEUPROZOWYMTSY-INWYIAFRSA-N 0 1 268.675 2.673 20 30 CFEDMN C[C@H]1C[C@@]1(C#N)C(=O)Nc1cc(Cl)c(O)cc1F ZINC000336290489 380310338 /nfs/dbraw/zinc/31/03/38/380310338.db2.gz LQRPLQMVHSTRCO-QTTZVWFDSA-N 0 1 268.675 2.673 20 30 CFEDMN C#CC[C@@H](N[C@@H]1CCCN(C(C)C)C1=O)c1ccccc1 ZINC000279086539 194278138 /nfs/dbraw/zinc/27/81/38/194278138.db2.gz MRPXCYCMQQTLNY-IAGOWNOFSA-N 0 1 284.403 2.740 20 30 CFEDMN C=C[C@@H]1CCCCN1CC(=O)N1CCc2sccc2C1 ZINC000336417416 380342235 /nfs/dbraw/zinc/34/22/35/380342235.db2.gz YHPPJBIVEMKCOR-CQSZACIVSA-N 0 1 290.432 2.673 20 30 CFEDMN CC1(C)CN(Cc2cnc3ccc(C#N)cn23)[C@@H]1C1CC1 ZINC000336561150 380468583 /nfs/dbraw/zinc/46/85/83/380468583.db2.gz BDNBEAXDFIJESO-MRXNPFEDSA-N 0 1 280.375 2.826 20 30 CFEDMN C=C(C)CN(C)C(=O)[C@H](c1ccccc1)N(C)CC ZINC000180421763 380654310 /nfs/dbraw/zinc/65/43/10/380654310.db2.gz WOEZSYOVFXHSTJ-HNNXBMFYSA-N 0 1 260.381 2.714 20 30 CFEDMN C=C1CCN(C(=O)c2c[nH]c3ccccc3c2=O)CC1 ZINC000264520001 383750279 /nfs/dbraw/zinc/75/02/79/383750279.db2.gz UZTDDRYIDZCPFX-UHFFFAOYSA-N 0 1 268.316 2.733 20 30 CFEDMN C[C@@H](NCC(=O)Nc1ccc(C#N)cc1)c1cccc(O)c1 ZINC000181545206 380821489 /nfs/dbraw/zinc/82/14/89/380821489.db2.gz WRYVLZARHVETEH-GFCCVEGCSA-N 0 1 295.342 2.553 20 30 CFEDMN C#Cc1cccc(NC(=O)CN(C)CC2CC(F)(F)C2)c1 ZINC000295473188 380878145 /nfs/dbraw/zinc/87/81/45/380878145.db2.gz ISVWNPKRMDEXLU-UHFFFAOYSA-N 0 1 292.329 2.584 20 30 CFEDMN CCc1nc(CN(CC)[C@H](C)c2ccc(C#N)cc2)n[nH]1 ZINC000181655285 380856100 /nfs/dbraw/zinc/85/61/00/380856100.db2.gz MSRVVHSHRDDCCP-GFCCVEGCSA-N 0 1 283.379 2.822 20 30 CFEDMN C=C(CC)CN1CCN(Cc2ccccc2OC)CC1 ZINC000358503923 380890155 /nfs/dbraw/zinc/89/01/55/380890155.db2.gz FHDCEBFPWOFFBP-UHFFFAOYSA-N 0 1 274.408 2.779 20 30 CFEDMN Cc1nc([C@@H]2CCCCN2Cc2ccc(C#N)c(F)c2)n[nH]1 ZINC000408473301 380930248 /nfs/dbraw/zinc/93/02/48/380930248.db2.gz BTCSBMBIAMFBSP-HNNXBMFYSA-N 0 1 299.353 2.851 20 30 CFEDMN Cc1ccc(-c2n[nH]c(NC(=O)c3sccc3C#N)n2)o1 ZINC000181888503 380930601 /nfs/dbraw/zinc/93/06/01/380930601.db2.gz NDGVZSPFOQKYDL-UHFFFAOYSA-N 0 1 299.315 2.559 20 30 CFEDMN CC(C)n1cc(CNCc2ccc(C#N)c(F)c2)cn1 ZINC000404675294 380906157 /nfs/dbraw/zinc/90/61/57/380906157.db2.gz GAZYBLSRAXRMAA-UHFFFAOYSA-N 0 1 272.327 2.765 20 30 CFEDMN CC[C@H](C)NC(=O)CCN[C@@H](C)c1ccc(C#N)cc1F ZINC000358558777 380925108 /nfs/dbraw/zinc/92/51/08/380925108.db2.gz DDESQZATWXUAGU-RYUDHWBXSA-N 0 1 291.370 2.653 20 30 CFEDMN N#Cc1ccc(F)c(CN2CCC([C@@H]3CCOC3)CC2)c1 ZINC000368266853 380975696 /nfs/dbraw/zinc/97/56/96/380975696.db2.gz YOFUIAMZNLYEJT-OAHLLOKOSA-N 0 1 288.366 2.946 20 30 CFEDMN N#C[C@@H](NC(=O)c1cccc2n[nH]cc21)c1ccc(F)cc1 ZINC000358574226 380941194 /nfs/dbraw/zinc/94/11/94/380941194.db2.gz ZSCHLFNHTMIZLV-OAHLLOKOSA-N 0 1 294.289 2.697 20 30 CFEDMN C=CCN(Cc1cccs1)[C@H](C)c1n[nH]c(C)n1 ZINC000411141410 381009797 /nfs/dbraw/zinc/00/97/97/381009797.db2.gz VMIYQPZLSIBPTQ-SNVBAGLBSA-N 0 1 262.382 2.924 20 30 CFEDMN C=CCN(CCc1ccccc1)[C@@H](C)C(=O)N(C)C(C)C ZINC000411202875 381016679 /nfs/dbraw/zinc/01/66/79/381016679.db2.gz VXSCYSKABBDZIC-INIZCTEOSA-N 0 1 288.435 2.972 20 30 CFEDMN CC(=O)N1CCN([C@@H](C)CCC#N)CC12CCCCC2 ZINC000411419650 381025534 /nfs/dbraw/zinc/02/55/34/381025534.db2.gz HFOLJAWLRSZRRK-AWEZNQCLSA-N 0 1 277.412 2.546 20 30 CFEDMN CC[C@@H](NCc1ccc(F)cc1C#N)[C@H]1CCCO1 ZINC000182330965 381065736 /nfs/dbraw/zinc/06/57/36/381065736.db2.gz HRJOCGQVMHTZKZ-HUUCEWRRSA-N 0 1 262.328 2.745 20 30 CFEDMN C[C@H](CCC#N)N1CCO[C@@H](C2CCCCC2)C1 ZINC000411532463 381032884 /nfs/dbraw/zinc/03/28/84/381032884.db2.gz ZFEUCZCEINDNHO-UKRRQHHQSA-N 0 1 250.386 2.960 20 30 CFEDMN C=C[C@@H](CO)NCc1cc(Cl)c(OCCC)c(OC)c1 ZINC000289676147 381096262 /nfs/dbraw/zinc/09/62/62/381096262.db2.gz CCFZGCLFJWXVTO-LBPRGKRZSA-N 0 1 299.798 2.774 20 30 CFEDMN Cc1cnn([C@@H]2CCN(CC#Cc3ccc(F)cc3)C2)c1 ZINC000289756364 381137983 /nfs/dbraw/zinc/13/79/83/381137983.db2.gz FRCQULNYKXARLP-QGZVFWFLSA-N 0 1 283.350 2.629 20 30 CFEDMN C=C[C@@H](CO)NCc1ccc(-c2ccc(C)cc2)o1 ZINC000289753735 381138676 /nfs/dbraw/zinc/13/86/76/381138676.db2.gz HRPLXDITTNYHLS-AWEZNQCLSA-N 0 1 257.333 2.892 20 30 CFEDMN C=CCCCCCCNCc1nn(CC)nc1C ZINC000295919385 381156444 /nfs/dbraw/zinc/15/64/44/381156444.db2.gz DWZZODCZDNOOAA-UHFFFAOYSA-N 0 1 250.390 2.833 20 30 CFEDMN COc1ccc(CN2CC[C@@H](n3cc(C)cn3)C2)cc1C#N ZINC000289742048 381131704 /nfs/dbraw/zinc/13/17/04/381131704.db2.gz DYXKCVDNTMOMGN-MRXNPFEDSA-N 0 1 296.374 2.519 20 30 CFEDMN CC(C)(C#N)C(=O)N=c1cc(-c2cc3ccccc3o2)[nH][nH]1 ZINC000368960887 381170095 /nfs/dbraw/zinc/17/00/95/381170095.db2.gz RVXKNDQYPQTNPT-UHFFFAOYSA-N 0 1 294.314 2.733 20 30 CFEDMN N#Cc1ccncc1C(=O)Nc1cc(Cl)ccc1O ZINC000342040667 381207829 /nfs/dbraw/zinc/20/78/29/381207829.db2.gz ALUVSGVTTGZEIH-UHFFFAOYSA-N 0 1 273.679 2.565 20 30 CFEDMN COc1ccc(C#N)cc1CN1CCC(c2cn[nH]c2)CC1 ZINC000369427004 381256752 /nfs/dbraw/zinc/25/67/52/381256752.db2.gz NRQHBVAJVANZEB-UHFFFAOYSA-N 0 1 296.374 2.670 20 30 CFEDMN N#Cc1ccccc1CN1CCCO[C@@H]2CCC[C@@H]21 ZINC000369455926 381262452 /nfs/dbraw/zinc/26/24/52/381262452.db2.gz DVHJRIJAHADENB-JKSUJKDBSA-N 0 1 256.349 2.702 20 30 CFEDMN C=C[C@@H](CO)N[C@H](C)c1cc(Cl)c(OC)cc1OC ZINC000289933630 381223659 /nfs/dbraw/zinc/22/36/59/381223659.db2.gz VQWDLEFEUWRYGQ-ZJUUUORDSA-N 0 1 285.771 2.555 20 30 CFEDMN CCn1cc([C@H](C)NCC#Cc2ccc(F)cc2)cn1 ZINC000296039411 381225604 /nfs/dbraw/zinc/22/56/04/381225604.db2.gz MYWSATLNNXWPBC-ZDUSSCGKSA-N 0 1 271.339 2.744 20 30 CFEDMN C=CC[C@@H](C)NC(=O)[C@@H](CC)N(C)Cc1ccccc1 ZINC000354402918 381247520 /nfs/dbraw/zinc/24/75/20/381247520.db2.gz YECBSNGBLSMAPH-GDBMZVCRSA-N 0 1 274.408 2.978 20 30 CFEDMN C=CCC(C)(C)C(=O)N1CCC(c2cnc[nH]2)CC1 ZINC000342366458 381297401 /nfs/dbraw/zinc/29/74/01/381297401.db2.gz ACEPNZVIYKDKKJ-UHFFFAOYSA-N 0 1 261.369 2.718 20 30 CFEDMN CO[C@@H](C)CN(Cc1cc(C#N)ccc1F)C(C)C ZINC000354451751 381276929 /nfs/dbraw/zinc/27/69/29/381276929.db2.gz LJACHEJKQDNMQV-LBPRGKRZSA-N 0 1 264.344 2.943 20 30 CFEDMN CCc1cnccc1C(=O)C(C#N)c1ccccn1 ZINC000183481997 381278137 /nfs/dbraw/zinc/27/81/37/381278137.db2.gz NNHLVPVABKDFQO-CYBMUJFWSA-N 0 1 251.289 2.529 20 30 CFEDMN CC#CCC[N@@H+](C)[C@H](CO)c1ccc(Cl)cc1 ZINC000296167835 381283867 /nfs/dbraw/zinc/28/38/67/381283867.db2.gz HQMVCSVBFSYLRI-CQSZACIVSA-N 0 1 251.757 2.719 20 30 CFEDMN Cc1cc([C@H](C)NCC(=O)N[C@](C)(C#N)C(C)C)c(C)o1 ZINC000183792618 381321068 /nfs/dbraw/zinc/32/10/68/381321068.db2.gz ZIWWCCJIPPRXME-BLLLJJGKSA-N 0 1 291.395 2.602 20 30 CFEDMN C#C[C@@H](NCc1cccc(OC)c1OC)C(C)(C)C ZINC000290204089 381340718 /nfs/dbraw/zinc/34/07/18/381340718.db2.gz PVFJBEMCEHTBDX-CQSZACIVSA-N 0 1 261.365 2.841 20 30 CFEDMN C=CCNC(=O)CN[C@H](c1ccccc1Cl)C(C)C ZINC000183696513 381307219 /nfs/dbraw/zinc/30/72/19/381307219.db2.gz ZXIRSNLIODNFFX-HNNXBMFYSA-N 0 1 280.799 2.929 20 30 CFEDMN C#C[C@H](NCc1nc2ccccc2n1C)C(C)(C)C ZINC000290262564 381362624 /nfs/dbraw/zinc/36/26/24/381362624.db2.gz WXGYZWPFCJQREX-AWEZNQCLSA-N 0 1 255.365 2.711 20 30 CFEDMN C=CCC(CC=C)C(=O)Nc1nc(C2CCC2)n[nH]1 ZINC000184612074 381446057 /nfs/dbraw/zinc/44/60/57/381446057.db2.gz UUWDWDGIOOJFBZ-UHFFFAOYSA-N 0 1 260.341 2.779 20 30 CFEDMN C=CCC(CC=C)C(=O)Nc1n[nH]c(C2CCC2)n1 ZINC000184612074 381446063 /nfs/dbraw/zinc/44/60/63/381446063.db2.gz UUWDWDGIOOJFBZ-UHFFFAOYSA-N 0 1 260.341 2.779 20 30 CFEDMN N#Cc1ccc(CN2CCCN(c3ccccn3)CC2)s1 ZINC000184806069 381479337 /nfs/dbraw/zinc/47/93/37/381479337.db2.gz ILKRSSMMCORJJW-UHFFFAOYSA-N 0 1 298.415 2.727 20 30 CFEDMN C=CCCN(C)CC(=O)N[C@H](C)Cc1ccccc1C ZINC000342734358 381507229 /nfs/dbraw/zinc/50/72/29/381507229.db2.gz JYLXTLJZPJGSTB-OAHLLOKOSA-N 0 1 274.408 2.550 20 30 CFEDMN COC[C@@]1(C)CCN(CC#Cc2ccc(F)cc2)C1 ZINC000296692324 381508684 /nfs/dbraw/zinc/50/86/84/381508684.db2.gz LZYMMWPISUHYSB-INIZCTEOSA-N 0 1 261.340 2.536 20 30 CFEDMN Fc1ccc(C#CCN2CCCO[C@H]3CCC[C@H]32)cc1 ZINC000370834810 381508843 /nfs/dbraw/zinc/50/88/43/381508843.db2.gz ZMSWCLIVIRLCCK-SJORKVTESA-N 0 1 273.351 2.821 20 30 CFEDMN C=CCCN(C)CC(=O)Nc1ccc(F)c(Cl)c1 ZINC000342739162 381509166 /nfs/dbraw/zinc/50/91/66/381509166.db2.gz WYSJLFCPYRDPLJ-UHFFFAOYSA-N 0 1 270.735 2.926 20 30 CFEDMN C=CCCN(C)Cc1cc([N+](=O)[O-])ccc1OC ZINC000342738239 381509718 /nfs/dbraw/zinc/50/97/18/381509718.db2.gz UPYIGHLHKFLXCH-UHFFFAOYSA-N 0 1 250.298 2.611 20 30 CFEDMN C[C@H](c1ccc(C#N)cc1)N1CC[C@H](NC(=O)C2CCC2)C1 ZINC000370906608 381511079 /nfs/dbraw/zinc/51/10/79/381511079.db2.gz WSBFYWWJSVYGKQ-DYVFJYSZSA-N 0 1 297.402 2.610 20 30 CFEDMN C#CCC(C)(C)C(=O)NC[C@@H](C)N1CCc2ccccc2C1 ZINC000185064271 381525809 /nfs/dbraw/zinc/52/58/09/381525809.db2.gz IBWFVUBCSWKCRA-OAHLLOKOSA-N 0 1 298.430 2.599 20 30 CFEDMN COc1cc([C@H](C)NCC(C)(C)CC#N)c(F)cn1 ZINC000414166618 381567407 /nfs/dbraw/zinc/56/74/07/381567407.db2.gz NZBFBYNNFLBSDH-JTQLQIEISA-N 0 1 265.332 2.820 20 30 CFEDMN COCC[C@H](Cc1cccc(F)c1)NC[C@@H](C)C#N ZINC000185323940 381597767 /nfs/dbraw/zinc/59/77/67/381597767.db2.gz WFRZYQIZSFTHDN-SWLSCSKDSA-N 0 1 264.344 2.523 20 30 CFEDMN CC(C)C[C@H](CO)N(C)Cc1ccc(C#N)cc1F ZINC000185337737 381603709 /nfs/dbraw/zinc/60/37/09/381603709.db2.gz IKNBSEPPYPJBDK-CQSZACIVSA-N 0 1 264.344 2.536 20 30 CFEDMN CCCCN(C)CC(=O)Nc1cc(Cl)ccc1C#N ZINC000298687104 381712457 /nfs/dbraw/zinc/71/24/57/381712457.db2.gz WBLBWPOMRGSLGY-UHFFFAOYSA-N 0 1 279.771 2.882 20 30 CFEDMN C=CCN(CC=C)C(=O)NC[C@H](c1ccsc1)N(C)C ZINC000298647081 381698135 /nfs/dbraw/zinc/69/81/35/381698135.db2.gz GBXOMTACWLLKNL-CQSZACIVSA-N 0 1 293.436 2.734 20 30 CFEDMN C[C@H]1[C@@H](Nc2ncc(C#N)cc2Cl)CCCN1C ZINC000343483949 381744101 /nfs/dbraw/zinc/74/41/01/381744101.db2.gz VGXSJXSEIDFKSX-CABZTGNLSA-N 0 1 264.760 2.501 20 30 CFEDMN N#Cc1csc(CN2CC[C@@H](COC(F)F)C2)c1 ZINC000348870092 381749630 /nfs/dbraw/zinc/74/96/30/381749630.db2.gz RYUNVALWGVHZSN-SECBINFHSA-N 0 1 272.320 2.681 20 30 CFEDMN CC#CCCCC(=O)NCc1nc2ccc(C)cc2[nH]1 ZINC000185741308 381721487 /nfs/dbraw/zinc/72/14/87/381721487.db2.gz AEDWEHYAGYRGQJ-UHFFFAOYSA-N 0 1 269.348 2.681 20 30 CFEDMN CC#CCCN1Cc2ccccc2[C@H](C(=O)OCC)C1 ZINC000360466465 381781441 /nfs/dbraw/zinc/78/14/41/381781441.db2.gz HGKHTKSIVPQSNN-MRXNPFEDSA-N 0 1 271.360 2.562 20 30 CFEDMN Cc1ccnc(NCCN2CCc3ccccc3C2)c1C#N ZINC000343512978 381764142 /nfs/dbraw/zinc/76/41/42/381764142.db2.gz PSTOYYIQOSHYTA-UHFFFAOYSA-N 0 1 292.386 2.732 20 30 CFEDMN COC(=O)c1cccc(CNCc2cc(C#N)cs2)c1 ZINC000348923560 381768903 /nfs/dbraw/zinc/76/89/03/381768903.db2.gz SWSQBHXBHQONIQ-UHFFFAOYSA-N 0 1 286.356 2.696 20 30 CFEDMN Cc1cc(CN2CCCN(CC(F)F)CC2)ccc1C#N ZINC000349145975 381835689 /nfs/dbraw/zinc/83/56/89/381835689.db2.gz GMVZZZVEUVFIMM-UHFFFAOYSA-N 0 1 293.361 2.640 20 30 CFEDMN C=CCN1CC[C@H](N(C)Cc2cccc(CCC)c2)C1=O ZINC000343609115 381837980 /nfs/dbraw/zinc/83/79/80/381837980.db2.gz WKSKJKMKLHIBMW-KRWDZBQOSA-N 0 1 286.419 2.858 20 30 CFEDMN C=CCC(C)(C)CNC(=O)N[C@H]1CCCc2cn[nH]c21 ZINC000292800409 381840498 /nfs/dbraw/zinc/84/04/98/381840498.db2.gz NHWLIQSISXIMQP-LBPRGKRZSA-N 0 1 276.384 2.689 20 30 CFEDMN C#CC[C@@H](NCC(=O)NCCCCC)c1ccccc1 ZINC000299037246 381804762 /nfs/dbraw/zinc/80/47/62/381804762.db2.gz RQKNUIPBICQFCC-MRXNPFEDSA-N 0 1 272.392 2.647 20 30 CFEDMN Cc1nsc(N2CC(N(C)Cc3ccccc3)C2)c1C#N ZINC000343620386 381846359 /nfs/dbraw/zinc/84/63/59/381846359.db2.gz DVIWJPYYUUFJOH-UHFFFAOYSA-N 0 1 298.415 2.644 20 30 CFEDMN CC(C)CCN(CCC#N)CCC(=O)Nc1cccnc1 ZINC000361828501 381865605 /nfs/dbraw/zinc/86/56/05/381865605.db2.gz LFJXVVMVOQLVKV-UHFFFAOYSA-N 0 1 288.395 2.672 20 30 CFEDMN N#Cc1ccc2ncc(CNCc3ccc(F)c(F)c3)n2c1 ZINC000343659589 381874334 /nfs/dbraw/zinc/87/43/34/381874334.db2.gz BBSUOPMDGGUSAX-UHFFFAOYSA-N 0 1 298.296 2.774 20 30 CFEDMN CN(Cc1cnc2ccc(C#N)cn12)Cc1ccc(O)cc1 ZINC000349342962 381897678 /nfs/dbraw/zinc/89/76/78/381897678.db2.gz FQEWOGPFNXTKBB-UHFFFAOYSA-N 0 1 292.342 2.544 20 30 CFEDMN C=CCNC(=O)CN(Cc1ccc(OCC)cc1)C(C)C ZINC000299367796 381912787 /nfs/dbraw/zinc/91/27/87/381912787.db2.gz DWTYTTAEJMHWEC-UHFFFAOYSA-N 0 1 290.407 2.598 20 30 CFEDMN C=C(C)[C@@H](N[C@H]1CCOC1)c1ccc(F)c(F)c1 ZINC000186454338 381915054 /nfs/dbraw/zinc/91/50/54/381915054.db2.gz FYXKYANKEJZSBU-SMDDNHRTSA-N 0 1 253.292 2.961 20 30 CFEDMN N#CCC[C@H](C#N)CN1CCC[C@H](C[C@H]2CCOC2)C1 ZINC000373143706 381936277 /nfs/dbraw/zinc/93/62/77/381936277.db2.gz XYJCQOFKMJYBRL-BZUAXINKSA-N 0 1 275.396 2.569 20 30 CFEDMN C=CCNC(=O)CNC1(c2ccc(Cl)c(Cl)c2)CC1 ZINC000299598172 381996668 /nfs/dbraw/zinc/99/66/68/381996668.db2.gz GUBWUWZCAMTAAR-UHFFFAOYSA-N 0 1 299.201 2.874 20 30 CFEDMN N#Cc1ccc(-c2nnc(CN3CC4CCC3CC4)o2)cc1 ZINC000362342032 382016468 /nfs/dbraw/zinc/01/64/68/382016468.db2.gz PVJLGIWLIAXWGW-UHFFFAOYSA-N 0 1 294.358 2.983 20 30 CFEDMN C=C[C@](C)(CC)C(=O)N1C[C@H](C)N(CC)C[C@H]1C ZINC000344068109 382105309 /nfs/dbraw/zinc/10/53/09/382105309.db2.gz ZLWIFLSWTVHVBT-GZBFAFLISA-N 0 1 252.402 2.530 20 30 CFEDMN C=CCC[C@H](NC(=O)[C@@H]1C[C@H]1c1nc[nH]n1)c1ccccc1 ZINC000376257324 382128080 /nfs/dbraw/zinc/12/80/80/382128080.db2.gz IULIPINURMOUNI-KFWWJZLASA-N 0 1 296.374 2.732 20 30 CFEDMN C=CCC(C)(C)C(=O)NCc1nc2ccc(F)cc2[nH]1 ZINC000293398581 382109183 /nfs/dbraw/zinc/10/91/83/382109183.db2.gz KFAJZGBBEYSWJA-UHFFFAOYSA-N 0 1 275.327 2.921 20 30 CFEDMN C=C(C)CN1C[C@H](C(=O)OC)[C@@H](c2ccc(F)cc2F)C1 ZINC000375195612 382071659 /nfs/dbraw/zinc/07/16/59/382071659.db2.gz DKOUKZMZNIBUHN-KGLIPLIRSA-N 0 1 295.329 2.729 20 30 CFEDMN CCN1CCC[C@@H]1CNc1snc(Cl)c1C#N ZINC000301086880 382077868 /nfs/dbraw/zinc/07/78/68/382077868.db2.gz KMCFEKROYQIAIZ-MRVPVSSYSA-N 0 1 270.789 2.564 20 30 CFEDMN Cc1ccc(CN[C@H]2CCCc3cc(C#N)ccc32)nn1 ZINC000418145757 382127117 /nfs/dbraw/zinc/12/71/17/382127117.db2.gz NSBGZUGGKYVCAB-KRWDZBQOSA-N 0 1 278.359 2.824 20 30 CFEDMN C=CCN1CC[C@@H](N2CC[C@@H](c3csc(C)c3)C2)C1=O ZINC000375615419 382092814 /nfs/dbraw/zinc/09/28/14/382092814.db2.gz ZFGVEDDTLASNPM-UKRRQHHQSA-N 0 1 290.432 2.633 20 30 CFEDMN C=CCC1(CNC(=O)N2C[C@H]3CCC[C@@H](C2)N3)CCCC1 ZINC000418252564 382136082 /nfs/dbraw/zinc/13/60/82/382136082.db2.gz JEIFHZZCBHVHLO-GASCZTMLSA-N 0 1 291.439 2.659 20 30 CFEDMN CN(CC#Cc1ccc(F)cc1)C[C@@H](O)Cc1ccccc1 ZINC000293472334 382137924 /nfs/dbraw/zinc/13/79/24/382137924.db2.gz XMPUGYWDVDKNCA-IBGZPJMESA-N 0 1 297.373 2.713 20 30 CFEDMN C[C@@H](F)CCN1CCN(c2ccc(C#N)cc2F)CC1 ZINC000352124149 382183963 /nfs/dbraw/zinc/18/39/63/382183963.db2.gz WGUIPPIUDQGUHJ-GFCCVEGCSA-N 0 1 279.334 2.567 20 30 CFEDMN C=CCC(C)(C)C(=O)NCCc1nc2ccc(F)cc2[nH]1 ZINC000293518009 382153914 /nfs/dbraw/zinc/15/39/14/382153914.db2.gz XWESWGZMCNGAMO-UHFFFAOYSA-N 0 1 289.354 2.963 20 30 CFEDMN C[C@H]1C[C@H](CO)CCN1CC#Cc1cccc(Cl)c1 ZINC000344150940 382163077 /nfs/dbraw/zinc/16/30/77/382163077.db2.gz GGAJFXKXOZXZAS-DZGCQCFKSA-N 0 1 277.795 2.784 20 30 CFEDMN CN(CCCn1ccnc1)Cc1ccc(Cl)cc1C#N ZINC000187368638 382165247 /nfs/dbraw/zinc/16/52/47/382165247.db2.gz JBAPAQFBGPGKGX-UHFFFAOYSA-N 0 1 288.782 2.930 20 30 CFEDMN Cc1cc(C[C@H](C)NC(=O)Nc2cccc(C#N)c2C)n[nH]1 ZINC000187617560 382226385 /nfs/dbraw/zinc/22/63/85/382226385.db2.gz NSKPIJGESRHTMC-JTQLQIEISA-N 0 1 297.362 2.651 20 30 CFEDMN N#Cc1csc(CNc2nccn2Cc2ccccc2)n1 ZINC000357705934 382288399 /nfs/dbraw/zinc/28/83/99/382288399.db2.gz XIEYXGBLWBJOAQ-UHFFFAOYSA-N 0 1 295.371 2.872 20 30 CFEDMN C=C(C)CCN[C@H](C(=O)NC1CC1)c1ccc(F)cc1 ZINC000419227389 382251116 /nfs/dbraw/zinc/25/11/16/382251116.db2.gz SJUOXZZVKFMRFM-HNNXBMFYSA-N 0 1 276.355 2.701 20 30 CFEDMN C=CCN(Cc1ccnc(Br)c1)C1CC1 ZINC000293749619 382263294 /nfs/dbraw/zinc/26/32/94/382263294.db2.gz IOTFNWZVHABMNK-UHFFFAOYSA-N 0 1 267.170 2.995 20 30 CFEDMN Cc1cccc2nc([C@H](C#N)C(=O)c3ccn(C)c3)[nH]c21 ZINC000357655076 382267010 /nfs/dbraw/zinc/26/70/10/382267010.db2.gz HXWLYDKNDWUPCH-GFCCVEGCSA-N 0 1 278.315 2.700 20 30 CFEDMN CCc1nc(C2CCN(c3cccc(F)c3C#N)CC2)n[nH]1 ZINC000302726335 382302259 /nfs/dbraw/zinc/30/22/59/382302259.db2.gz PEFJOHLKRHQXDJ-UHFFFAOYSA-N 0 1 299.353 2.762 20 30 CFEDMN CCc1nnc(C2CCN(c3cccc(F)c3C#N)CC2)[nH]1 ZINC000302726335 382302268 /nfs/dbraw/zinc/30/22/68/382302268.db2.gz PEFJOHLKRHQXDJ-UHFFFAOYSA-N 0 1 299.353 2.762 20 30 CFEDMN C=C(C)CC[N@H+]1C[C@@H]2OCCN(Cc3ccccc3)[C@H]2C1 ZINC000352413111 382316847 /nfs/dbraw/zinc/31/68/47/382316847.db2.gz LVUGUCWXPJCULH-ROUUACIJSA-N 0 1 286.419 2.538 20 30 CFEDMN CN(Cc1ccc(C#N)s1)C[C@H](O)Cc1ccccc1 ZINC000293901463 382329422 /nfs/dbraw/zinc/32/94/22/382329422.db2.gz LEJFGPVQGIHPMH-CQSZACIVSA-N 0 1 286.400 2.655 20 30 CFEDMN CCn1cc(C(=O)[C@@H](C#N)c2nc3cccc(C)c3[nH]2)cn1 ZINC000345380602 382300849 /nfs/dbraw/zinc/30/08/49/382300849.db2.gz RRQJAXPUVGPFPS-GFCCVEGCSA-N 0 1 293.330 2.578 20 30 CFEDMN CCOC(=O)C1(N(C)CCCSCC#N)CCCCC1 ZINC000357954185 382390428 /nfs/dbraw/zinc/39/04/28/382390428.db2.gz DBNQGKCRZYVHGC-UHFFFAOYSA-N 0 1 298.452 2.831 20 30 CFEDMN CCc1ccc(O)c(NC(=O)c2ccc(C#N)c(O)c2)c1 ZINC000188596305 382441356 /nfs/dbraw/zinc/44/13/56/382441356.db2.gz RDLSUKDNKACDLR-UHFFFAOYSA-N 0 1 282.299 2.784 20 30 CFEDMN CC(C)CN1Cc2cccc(NC(=O)CC#N)c2C1 ZINC000185298550 262049254 /nfs/dbraw/zinc/04/92/54/262049254.db2.gz CIDDHGLHETYZQC-UHFFFAOYSA-N 0 1 257.337 2.510 20 30 CFEDMN C=CCC[C@H](CCC)N1CCO[C@@H](c2nncn2CC)C1 ZINC000365530548 382409236 /nfs/dbraw/zinc/40/92/36/382409236.db2.gz WFAOACJDJLQYAA-LSDHHAIUSA-N 0 1 292.427 2.806 20 30 CFEDMN N#Cc1ccc(C(=O)Nc2cc(Cl)ccn2)cc1O ZINC000188423008 382411393 /nfs/dbraw/zinc/41/13/93/382411393.db2.gz SQLTXDXXPGJJEH-UHFFFAOYSA-N 0 1 273.679 2.565 20 30 CFEDMN N#Cc1ccc(C(=O)Nc2ccc(F)c(C#N)c2)cc1O ZINC000188439106 382413854 /nfs/dbraw/zinc/41/38/54/382413854.db2.gz YNLUFNVMDOQLMB-UHFFFAOYSA-N 0 1 281.246 2.527 20 30 CFEDMN CN1CCc2ccc(NC(=O)c3ccc(C#N)c(O)c3)cc21 ZINC000188765160 382471820 /nfs/dbraw/zinc/47/18/20/382471820.db2.gz ITJCGJWKWMJKSU-UHFFFAOYSA-N 0 1 293.326 2.508 20 30 CFEDMN C=CCCC[C@H](C)NC(=O)[C@]1(N(C)C)CCCSC1 ZINC000378450420 382462411 /nfs/dbraw/zinc/46/24/11/382462411.db2.gz IDXXYZTXRDGPPS-ZFWWWQNUSA-N 0 1 284.469 2.675 20 30 CFEDMN CC[N@H+]1CCc2c(cccc2NC(=O)C(C)(C)C#N)C1 ZINC000366353664 382499663 /nfs/dbraw/zinc/49/96/63/382499663.db2.gz DVVZHNVCYAESIQ-UHFFFAOYSA-N 0 1 271.364 2.553 20 30 CFEDMN C[C@@H]1CC[C@@H](O)CN1CC#Cc1ccc(Cl)cc1 ZINC000421003606 382505407 /nfs/dbraw/zinc/50/54/07/382505407.db2.gz CIBIQTUXRPURPH-IUODEOHRSA-N 0 1 263.768 2.537 20 30 CFEDMN Cc1cc(F)cc(NC(=O)c2ccc(C#N)c(O)c2)c1 ZINC000188938298 382508727 /nfs/dbraw/zinc/50/87/27/382508727.db2.gz FKUGRRQSGVDODR-UHFFFAOYSA-N 0 1 270.263 2.964 20 30 CFEDMN C=CCOc1cccc(CN2CC[C@]23CCOC3)c1 ZINC000421395384 382516349 /nfs/dbraw/zinc/51/63/49/382516349.db2.gz IDVWHRURKNEGGO-MRXNPFEDSA-N 0 1 259.349 2.616 20 30 CFEDMN C[C@@H](NCc1ccc(C#N)o1)[C@H](C)NC(=O)OC(C)(C)C ZINC000381350254 382519889 /nfs/dbraw/zinc/51/98/89/382519889.db2.gz HTUZGDNLARKVBM-MNOVXSKESA-N 0 1 293.367 2.543 20 30 CFEDMN CC(=O)Nc1ccn([C@H]2CCN(Cc3ccc(C)o3)C2)n1 ZINC000328645347 382559747 /nfs/dbraw/zinc/55/97/47/382559747.db2.gz ZOXQCGMVFHXVTA-ZDUSSCGKSA-N 0 1 288.351 2.839 20 30 CFEDMN Cn1nncc1C(=O)Nc1ccc2nc(C3CCC3)[nH]c2c1 ZINC000328666611 382561847 /nfs/dbraw/zinc/56/18/47/382561847.db2.gz KKJOIVYWQGFSNS-UHFFFAOYSA-N 0 1 296.334 2.595 20 30 CFEDMN C[C@H]1CN(c2snc(Cl)c2C#N)CCN(C2CC2)C1 ZINC000295051011 382567697 /nfs/dbraw/zinc/56/76/97/382567697.db2.gz XZNOYBYVIZGBJB-SECBINFHSA-N 0 1 296.827 2.589 20 30 CFEDMN COc1cc(CN[C@@H](C)c2cncs2)ccc1C#N ZINC000353610426 382577814 /nfs/dbraw/zinc/57/78/14/382577814.db2.gz MKGHIRVIDZGCMK-JTQLQIEISA-N 0 1 273.361 2.874 20 30 CFEDMN CCOC(=O)C1CCN([C@@H](C)c2cccc(C#N)c2)CC1 ZINC000189344012 382595603 /nfs/dbraw/zinc/59/56/03/382595603.db2.gz BJRHMEKYGYCDLV-ZDUSSCGKSA-N 0 1 286.375 2.894 20 30 CFEDMN CC[C@@H](C)N1CCN(Cc2ccc(C#N)s2)CC1 ZINC000295246854 382598001 /nfs/dbraw/zinc/59/80/01/382598001.db2.gz PWEYZBNNAHHWEZ-GFCCVEGCSA-N 0 1 263.410 2.536 20 30 CFEDMN Cn1cc(CNCc2ccccc2Cl)cc1C#N ZINC000189574567 382625626 /nfs/dbraw/zinc/62/56/26/382625626.db2.gz OFBOVZMUYNPUQH-UHFFFAOYSA-N 0 1 259.740 2.840 20 30 CFEDMN CC(C)C(=O)N1CCCN([C@@H](C)c2cccc(C#N)c2)CC1 ZINC000189866246 382643330 /nfs/dbraw/zinc/64/33/30/382643330.db2.gz JACJHIHERXPIKY-HNNXBMFYSA-N 0 1 299.418 2.810 20 30 CFEDMN C=CCC[C@@H](O)CN1CCC[C@H]1c1csc(C)n1 ZINC000189749239 382639063 /nfs/dbraw/zinc/63/90/63/382639063.db2.gz MXLZFLBMLBVFCS-OCCSQVGLSA-N 0 1 266.410 2.916 20 30 CFEDMN Cn1cc(CN2CCC(OC3CCCC3)CC2)cc1C#N ZINC000191297435 382697887 /nfs/dbraw/zinc/69/78/87/382697887.db2.gz GBDUAQQSWXAZGX-UHFFFAOYSA-N 0 1 287.407 2.820 20 30 CFEDMN CCOC(=O)[C@@]1(C(C)C)CC[N@@H+](Cc2ccc(C#N)o2)C1 ZINC000195194856 382763803 /nfs/dbraw/zinc/76/38/03/382763803.db2.gz IHIWJQQZRGEIBS-INIZCTEOSA-N 0 1 290.363 2.562 20 30 CFEDMN C=CCN1CC[C@@H](N(C)CCc2ccccc2Cl)C1=O ZINC000337232611 382781506 /nfs/dbraw/zinc/78/15/06/382781506.db2.gz VRYZRFJAAXMLKL-OAHLLOKOSA-N 0 1 292.810 2.601 20 30 CFEDMN C[C@@H]1CN(c2ccc(C(F)(F)F)c(C#N)n2)[C@H](C)CN1C ZINC000336994615 382749738 /nfs/dbraw/zinc/74/97/38/382749738.db2.gz ZHQARXYHWAEZRT-NXEZZACHSA-N 0 1 298.312 2.501 20 30 CFEDMN C[C@@H](N[C@H](C)c1cccnc1)C(=O)Nc1cccc(C#N)c1 ZINC000194721637 382753054 /nfs/dbraw/zinc/75/30/54/382753054.db2.gz QVTNJZOFEDMNHA-CHWSQXEVSA-N 0 1 294.358 2.631 20 30 CFEDMN C=CCN1CC[C@H](N(C)CCSC2CCCCC2)C1=O ZINC000337445300 382822220 /nfs/dbraw/zinc/82/22/20/382822220.db2.gz BWLAROXFIOINKI-HNNXBMFYSA-N 0 1 296.480 2.771 20 30 CFEDMN N#Cc1ccc(NC(=O)CN2CCC[C@H]3CCC[C@H]32)cc1 ZINC000228012900 382843314 /nfs/dbraw/zinc/84/33/14/382843314.db2.gz ONPKNMFKCCMCJC-GDBMZVCRSA-N 0 1 283.375 2.761 20 30 CFEDMN C=CCCc1ccccc1NC(=O)[C@@H]1CCCN1C ZINC000337570200 382843808 /nfs/dbraw/zinc/84/38/08/382843808.db2.gz YPLKOSGSJZVVIY-HNNXBMFYSA-N 0 1 258.365 2.838 20 30 CFEDMN C=CCC[C@@H](NC(=O)NCCN1CCC1)c1ccccc1 ZINC000337675731 382854487 /nfs/dbraw/zinc/85/44/87/382854487.db2.gz BPZHCUOJQQDYHW-MRXNPFEDSA-N 0 1 287.407 2.699 20 30 CFEDMN Cc1c(CN(C)[C@H](C)c2ccc(C#N)cc2)cnn1C ZINC000577542585 382862781 /nfs/dbraw/zinc/86/27/81/382862781.db2.gz RVEGTFQLPUKLGX-GFCCVEGCSA-N 0 1 268.364 2.793 20 30 CFEDMN CC(C)CN(CC(=O)N(C)C1CC1)Cc1ccc(C#N)cc1 ZINC000337982891 382888570 /nfs/dbraw/zinc/88/85/70/382888570.db2.gz ZFDMPFMMEASCBG-UHFFFAOYSA-N 0 1 299.418 2.637 20 30 CFEDMN COC(=O)c1cccc(CN(C)[C@H](C)C2(C)CC2)c1C#N ZINC000534468386 382931880 /nfs/dbraw/zinc/93/18/80/382931880.db2.gz CBBRVIJXUCYVDO-GFCCVEGCSA-N 0 1 286.375 2.965 20 30 CFEDMN C[C@H](O)CN(CC#Cc1ccccc1)Cc1ccccc1 ZINC000578577536 382933662 /nfs/dbraw/zinc/93/36/62/382933662.db2.gz UUYLEHNQFICFKF-KRWDZBQOSA-N 0 1 279.383 2.921 20 30 CFEDMN C=C(C)CN(CC)C(=O)CN[C@@H](C)c1cnn(C(C)C)c1 ZINC000544468550 382974628 /nfs/dbraw/zinc/97/46/28/382974628.db2.gz DTRCYEOQCKULBZ-AWEZNQCLSA-N 0 1 292.427 2.539 20 30 CFEDMN C=C(C)CN(CC)C(=O)CN1CC[C@@H](CC(F)(F)F)C1 ZINC000444704183 382978109 /nfs/dbraw/zinc/97/81/09/382978109.db2.gz KYSZNQIGMLMUQM-LBPRGKRZSA-N 0 1 292.345 2.685 20 30 CFEDMN C=CC[C@H]1N(Cc2nnc(CC)[nH]2)CCCC1(C)C ZINC000444780275 382980342 /nfs/dbraw/zinc/98/03/42/382980342.db2.gz DNXHPIVURMXAHJ-GFCCVEGCSA-N 0 1 262.401 2.934 20 30 CFEDMN C=CC[C@@H]1N(Cc2nc(CCOC)no2)CCCC1(C)C ZINC000444785465 382982383 /nfs/dbraw/zinc/98/23/83/382982383.db2.gz YGVZCDAFTXPMTG-ZDUSSCGKSA-N 0 1 293.411 2.825 20 30 CFEDMN C[C@H](NCc1ccc(F)cn1)c1ccc(C#N)cc1 ZINC000338352227 383000494 /nfs/dbraw/zinc/00/04/94/383000494.db2.gz IBGXZWIDQUKRAX-NSHDSACASA-N 0 1 255.296 2.943 20 30 CFEDMN C[C@@H](CCC(C)(C)C)C(=O)NC1(C#N)CCN(C)CC1 ZINC000541598106 382965865 /nfs/dbraw/zinc/96/58/65/382965865.db2.gz ZYVKRIHBQCUACI-ZDUSSCGKSA-N 0 1 279.428 2.553 20 30 CFEDMN CC(C)N(C(=O)CN1CCC(CC#N)CC1)C1CCCC1 ZINC000541948592 382967040 /nfs/dbraw/zinc/96/70/40/382967040.db2.gz LMHADEHRYQDLSN-UHFFFAOYSA-N 0 1 291.439 2.792 20 30 CFEDMN COC(=O)c1cc(CN2CCC(CC#N)CC2)c(C)s1 ZINC000542879526 382970661 /nfs/dbraw/zinc/97/06/61/382970661.db2.gz RHKBTOMQXRGXDW-UHFFFAOYSA-N 0 1 292.404 2.969 20 30 CFEDMN C=CCCCNC(=O)NCc1nc2cccc(C)c2[nH]1 ZINC000447990412 383037812 /nfs/dbraw/zinc/03/78/12/383037812.db2.gz MITRTVDKJXXHED-UHFFFAOYSA-N 0 1 272.352 2.637 20 30 CFEDMN C[C@@H](C#N)CN(C)CC[C@@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC000495874215 383038698 /nfs/dbraw/zinc/03/86/98/383038698.db2.gz LFBBAMASOMJGSK-UONOGXRCSA-N 0 1 295.427 2.725 20 30 CFEDMN C=CCCCNC(=O)N(C)Cc1cc(C(C)(C)C)[nH]n1 ZINC000448037092 383042780 /nfs/dbraw/zinc/04/27/80/383042780.db2.gz AZJFEHRWXDHDPF-UHFFFAOYSA-N 0 1 278.400 2.815 20 30 CFEDMN CCNc1ccc(C#N)cc1NC(=O)[C@@H](C)Cc1cnc[nH]1 ZINC000579976020 383074017 /nfs/dbraw/zinc/07/40/17/383074017.db2.gz DJWAQCGNSUZRCN-NSHDSACASA-N 0 1 297.362 2.530 20 30 CFEDMN COC(=O)c1cccc(CN2CC[C@@H](CC3CC3)C2)c1C#N ZINC000550048613 383018886 /nfs/dbraw/zinc/01/88/86/383018886.db2.gz GSDVVGWAZBKWEM-AWEZNQCLSA-N 0 1 298.386 2.967 20 30 CFEDMN C=CCCN1[C@@H](C(=O)OC)CC[C@H]1c1ccccc1 ZINC000338544286 383022039 /nfs/dbraw/zinc/02/20/39/383022039.db2.gz YUEYGABZFQXGEH-LSDHHAIUSA-N 0 1 259.349 2.941 20 30 CFEDMN COC(=O)c1cccc(CN2C[C@H](C)C[C@H]2C)c1C#N ZINC000550389961 383024664 /nfs/dbraw/zinc/02/46/64/383024664.db2.gz YPEYOOFHRIFENE-VXGBXAGGSA-N 0 1 272.348 2.575 20 30 CFEDMN Cc1nc2ccc(NC(=O)CC3(C#N)CC3)cc2[nH]1 ZINC000590135756 383121170 /nfs/dbraw/zinc/12/11/70/383121170.db2.gz PCPSBICTTAVUAU-UHFFFAOYSA-N 0 1 254.293 2.504 20 30 CFEDMN COc1cc(CN2CCC[C@H](n3ccnc3)C2)ccc1C#N ZINC000619674428 383146621 /nfs/dbraw/zinc/14/66/21/383146621.db2.gz MQXPPYOVTSQPBF-INIZCTEOSA-N 0 1 296.374 2.600 20 30 CFEDMN COc1cc(CN2CCC[C@@H](n3ccnc3)C2)ccc1C#N ZINC000619674429 383146713 /nfs/dbraw/zinc/14/67/13/383146713.db2.gz MQXPPYOVTSQPBF-MRXNPFEDSA-N 0 1 296.374 2.600 20 30 CFEDMN C[C@@H]1Cc2ccccc2[C@H]1NC[C@@H](C#N)CCC#N ZINC000582355235 383087194 /nfs/dbraw/zinc/08/71/94/383087194.db2.gz BNXIPYDAAKZUJV-IOASZLSFSA-N 0 1 253.349 2.953 20 30 CFEDMN C=CCOc1ccc(C[N@@H+]2CCC[C@H](CC(=O)[O-])C2)cc1 ZINC000583981982 383094882 /nfs/dbraw/zinc/09/48/82/383094882.db2.gz YKELWDWCGLGWLM-OAHLLOKOSA-N 0 1 289.375 2.938 20 30 CFEDMN C=CC(C)(C)C(=O)NC[C@@H](c1ccsc1)N(C)C ZINC000448668663 383095638 /nfs/dbraw/zinc/09/56/38/383095638.db2.gz CHPOCKDLISEZMT-LBPRGKRZSA-N 0 1 266.410 2.679 20 30 CFEDMN CC(C)(C)OC(=O)N1C[C@@H]2CCCN(CCCC#N)[C@@H]2C1 ZINC000496492550 383108037 /nfs/dbraw/zinc/10/80/37/383108037.db2.gz NBMBOFCINSZRBD-UONOGXRCSA-N 0 1 293.411 2.621 20 30 CFEDMN C=C(CC)C[N@@H+](CC(=O)[O-])Cc1ccc(F)cc1 ZINC000565105109 383175677 /nfs/dbraw/zinc/17/56/77/383175677.db2.gz LKJDVEYCSAQDTH-UHFFFAOYSA-N 0 1 251.301 2.679 20 30 CFEDMN C=C(C)CN(C)C[C@@H](C)c1ccc(S(C)(=O)=O)cc1 ZINC000449225766 383184560 /nfs/dbraw/zinc/18/45/60/383184560.db2.gz LDHPFQMUKQONEF-CYBMUJFWSA-N 0 1 281.421 2.702 20 30 CFEDMN C=C(C)CN(C)Cc1cnn(-c2ccc(OC)cc2)c1 ZINC000449229093 383185128 /nfs/dbraw/zinc/18/51/28/383185128.db2.gz YHOFQMMQFKKPCP-UHFFFAOYSA-N 0 1 271.364 2.889 20 30 CFEDMN C[C@H](Cc1ccccc1[N+](=O)[O-])N[C@@H]1CCC[C@H]1C#N ZINC000449239434 383186135 /nfs/dbraw/zinc/18/61/35/383186135.db2.gz JMCDCTVIAPVGHV-KWCYVHTRSA-N 0 1 273.336 2.808 20 30 CFEDMN CC[C@@H](C(=O)NC1(C#N)CCCC1)N(C)Cc1ccccc1 ZINC000339269714 383188443 /nfs/dbraw/zinc/18/84/43/383188443.db2.gz IGRMFXBNHOFIOJ-INIZCTEOSA-N 0 1 299.418 2.850 20 30 CFEDMN C=CCCCCN1CCSC[C@H]1c1cnn(C)c1 ZINC000514840137 383155647 /nfs/dbraw/zinc/15/56/47/383155647.db2.gz NSUQVIISXUAGQH-AWEZNQCLSA-N 0 1 265.426 2.866 20 30 CFEDMN C=CCCCCCN1CCN(c2cnccc2C#N)CC1 ZINC000562379688 383156988 /nfs/dbraw/zinc/15/69/88/383156988.db2.gz SWMGDPOUZGHDSN-UHFFFAOYSA-N 0 1 284.407 2.822 20 30 CFEDMN Cc1ccc(F)c(CCNC[C@H](C#N)CCC#N)c1 ZINC000563799481 383167988 /nfs/dbraw/zinc/16/79/88/383167988.db2.gz OFBKWVJOTXTDIO-ZDUSSCGKSA-N 0 1 259.328 2.710 20 30 CFEDMN N#Cc1ccc(CN2CCS[C@H]3CCCC[C@H]32)nc1 ZINC000567444497 383276480 /nfs/dbraw/zinc/27/64/80/383276480.db2.gz XXMPRDBLOIXECV-CABCVRRESA-N 0 1 273.405 2.813 20 30 CFEDMN N#CCC[C@H](C#N)CN[C@H]1CCCN(c2ccccc2)C1 ZINC000519793407 383235215 /nfs/dbraw/zinc/23/52/15/383235215.db2.gz PSEQTECUEWLRRA-CVEARBPZSA-N 0 1 282.391 2.689 20 30 CFEDMN CCN(CC(=O)N(C)[C@@H](C)c1cccc(C#N)c1)C1CC1 ZINC000425133448 383328390 /nfs/dbraw/zinc/32/83/90/383328390.db2.gz SQAWAIUUMQVXNA-ZDUSSCGKSA-N 0 1 285.391 2.562 20 30 CFEDMN CCO[C@@H]1CCN(Cc2ccc(C#N)s2)C[C@@H]1C ZINC000449493964 383331437 /nfs/dbraw/zinc/33/14/37/383331437.db2.gz MLOFARSCRNXGLJ-SMDDNHRTSA-N 0 1 264.394 2.867 20 30 CFEDMN Cn1cc(CN2CCS[C@@H]3CCCC[C@H]32)cc1C#N ZINC000248906655 383306360 /nfs/dbraw/zinc/30/63/60/383306360.db2.gz WQOSAAVGWGDCGF-HUUCEWRRSA-N 0 1 275.421 2.757 20 30 CFEDMN Cn1ccnc1[C@@H]1CCN(CC#Cc2ccc(Cl)cc2)C1 ZINC000568583646 383415492 /nfs/dbraw/zinc/41/54/92/383415492.db2.gz CCWMBRJSWNWUCY-OAHLLOKOSA-N 0 1 299.805 2.915 20 30 CFEDMN CCc1nccn1[C@H]1CCCN(CC2(C#N)CCC2)C1 ZINC000450376213 383392970 /nfs/dbraw/zinc/39/29/70/383392970.db2.gz GJYFIPGWCWONJY-AWEZNQCLSA-N 0 1 272.396 2.776 20 30 CFEDMN COC(=O)C1(CN2CCC[C@H]2[C@@H](C#N)c2ccccc2)CC1 ZINC000450452393 383416234 /nfs/dbraw/zinc/41/62/34/383416234.db2.gz MNWWNSQVRGGDEL-HOTGVXAUSA-N 0 1 298.386 2.711 20 30 CFEDMN C=C[C@@H]1OCC[C@H]1NCc1nc(CCC)cs1 ZINC000449517543 383351783 /nfs/dbraw/zinc/35/17/83/383351783.db2.gz GLEYEHJBAJAKCB-NEPJUHHUSA-N 0 1 252.383 2.529 20 30 CFEDMN COc1cc(CN2CCSC[C@@H]2C2CC2)ccc1C#N ZINC000449529158 383354117 /nfs/dbraw/zinc/35/41/17/383354117.db2.gz VIRQJXJGDDFEEB-OAHLLOKOSA-N 0 1 288.416 2.894 20 30 CFEDMN C=C[C@@H]1OCCC[C@H]1NCc1nc(CCC)cs1 ZINC000449546699 383354350 /nfs/dbraw/zinc/35/43/50/383354350.db2.gz DIPGGQGGJKAVNQ-OLZOCXBDSA-N 0 1 266.410 2.919 20 30 CFEDMN COC(=O)[C@H]1CCN(CC#Cc2ccc(Cl)cc2)[C@H]1C ZINC000469831781 383372311 /nfs/dbraw/zinc/37/23/11/383372311.db2.gz SXZFGJXCKRTHOH-WFASDCNBSA-N 0 1 291.778 2.575 20 30 CFEDMN C=CCC1(C(=O)N[C@@H](C)c2nnc[nH]2)CCCCC1 ZINC000450003204 383376366 /nfs/dbraw/zinc/37/63/66/383376366.db2.gz LLOBCICWUOQSAM-NSHDSACASA-N 0 1 262.357 2.509 20 30 CFEDMN C=CCOc1ccc(CN2C[C@H](O)C[C@H]2C)cc1Cl ZINC000471806479 383378535 /nfs/dbraw/zinc/37/85/35/383378535.db2.gz WYIBUIOHSIJUPF-DGCLKSJQSA-N 0 1 281.783 2.860 20 30 CFEDMN C=CCN(C)C(=O)c1ccc(Nc2ccncc2)cc1 ZINC000428284036 383441708 /nfs/dbraw/zinc/44/17/08/383441708.db2.gz WOVXTUZVBKGRRD-UHFFFAOYSA-N 0 1 267.332 2.505 20 30 CFEDMN CN(Cc1cccc(F)c1C#N)CC1CCOCC1 ZINC000428298274 383444771 /nfs/dbraw/zinc/44/47/71/383444771.db2.gz BDVMVNQAGOVAOR-UHFFFAOYSA-N 0 1 262.328 2.556 20 30 CFEDMN CC(C)c1nc(CN[C@@H](C)c2ccc(C#N)cc2F)n[nH]1 ZINC000428357308 383457496 /nfs/dbraw/zinc/45/74/96/383457496.db2.gz DCFOFNBVWFVSCA-JTQLQIEISA-N 0 1 287.342 2.790 20 30 CFEDMN CCC(CC)(CC(=O)OC)NCc1cccc(F)c1C#N ZINC000428384235 383462611 /nfs/dbraw/zinc/46/26/11/383462611.db2.gz BOGGSKWCBBJEBJ-UHFFFAOYSA-N 0 1 292.354 2.909 20 30 CFEDMN CC[C@@]1(CNC[C@@H](C#N)CCC#N)OCCc2ccccc21 ZINC000569178385 383473267 /nfs/dbraw/zinc/47/32/67/383473267.db2.gz UNSHSZUKRRGUHN-QAPCUYQASA-N 0 1 297.402 2.898 20 30 CFEDMN CO[C@]1(C)C[C@H](N(C)CC2(C#N)CCC2)C1(C)C ZINC000450456762 383417419 /nfs/dbraw/zinc/41/74/19/383417419.db2.gz YTXJUWJQJUCTLP-GXTWGEPZSA-N 0 1 250.386 2.816 20 30 CFEDMN C=CC[C@H](C(=O)N1CCN(C)[C@H](C)[C@H]1C)c1ccccc1 ZINC000428021159 383420335 /nfs/dbraw/zinc/42/03/35/383420335.db2.gz HNDCXRQOULZYNA-INMHGKMJSA-N 0 1 286.419 2.897 20 30 CFEDMN CO[C@@H](C)CN(Cc1cccc(C#N)c1F)C(C)C ZINC000340892837 383498714 /nfs/dbraw/zinc/49/87/14/383498714.db2.gz JPPLIJOXYIERSO-LBPRGKRZSA-N 0 1 264.344 2.943 20 30 CFEDMN Cc1cccc(CN(C)[C@@H](C)C(=O)NC2(C#N)CCC2)c1C ZINC000428727396 383498900 /nfs/dbraw/zinc/49/89/00/383498900.db2.gz CBDPPLIWRYWJHD-HNNXBMFYSA-N 0 1 299.418 2.686 20 30 CFEDMN CC1(C)[C@@H]2CN(Cc3ccc(C#N)cc3[N+](=O)[O-])C[C@@H]21 ZINC000569460731 383501616 /nfs/dbraw/zinc/50/16/16/383501616.db2.gz IRAFXHJIQBIHKG-BETUJISGSA-N 0 1 271.320 2.554 20 30 CFEDMN C=C(CC)CN1[C@H](C)CN(C(=O)C(C)(C)C)C[C@H]1C ZINC000429393247 383527426 /nfs/dbraw/zinc/52/74/26/383527426.db2.gz KWCVYOMTFLEXHC-ZIAGYGMSSA-N 0 1 266.429 2.920 20 30 CFEDMN C=CC[N@H+](Cc1cc(C(=O)[O-])nn1C)CC1CCCCC1 ZINC000635303265 383528249 /nfs/dbraw/zinc/52/82/49/383528249.db2.gz SGPJNIGCOUFWCG-UHFFFAOYSA-N 0 1 291.395 2.687 20 30 CFEDMN C=CCN1CC[C@H](N(C)C[C@H]2CCCCC2(F)F)C1=O ZINC000450897998 383541099 /nfs/dbraw/zinc/54/10/99/383541099.db2.gz AYGYCPUMYZZQTE-OLZOCXBDSA-N 0 1 286.366 2.531 20 30 CFEDMN N#Cc1c(F)cccc1C(=O)Nc1nc2ccc(F)cc2[nH]1 ZINC000488953466 383586069 /nfs/dbraw/zinc/58/60/69/383586069.db2.gz LGLIJLQYOYMZNQ-UHFFFAOYSA-N 0 1 298.252 2.965 20 30 CFEDMN N#CCC1(CNCc2cc(F)c(F)cc2F)CC1 ZINC000430068758 383588822 /nfs/dbraw/zinc/58/88/22/383588822.db2.gz SWQXWBYLVWFOCO-UHFFFAOYSA-N 0 1 254.255 2.887 20 30 CFEDMN Cc1cc(CN2C[C@H](C)O[C@@H](C)[C@@H]2C)ccc1C#N ZINC000488998150 383590015 /nfs/dbraw/zinc/59/00/15/383590015.db2.gz WFPSGXWVVJJDPN-IHRRRGAJSA-N 0 1 258.365 2.864 20 30 CFEDMN C=CC1CCN(Cc2cnnn2Cc2ccccc2)CC1 ZINC000430238220 383591400 /nfs/dbraw/zinc/59/14/00/383591400.db2.gz KBNDGXXGYCSKRG-UHFFFAOYSA-N 0 1 282.391 2.724 20 30 CFEDMN CC1=C[C@H](C)CN(CC(=O)N(C)C2(C#N)CCCCC2)C1 ZINC000430270237 383592635 /nfs/dbraw/zinc/59/26/35/383592635.db2.gz UOUJTSAZTVVPAW-AWEZNQCLSA-N 0 1 289.423 2.569 20 30 CFEDMN C=C(C)CN(C)Cc1ccnn1-c1ccccc1OC ZINC000430779134 383601083 /nfs/dbraw/zinc/60/10/83/383601083.db2.gz YVOWAHKNISXYFK-UHFFFAOYSA-N 0 1 271.364 2.889 20 30 CFEDMN C[C@@H](COc1cccc(F)c1)NC[C@@H](C#N)CCC#N ZINC000570444054 383604217 /nfs/dbraw/zinc/60/42/17/383604217.db2.gz LEAOFMCNWYSRQK-QWHCGFSZSA-N 0 1 275.327 2.626 20 30 CFEDMN N#Cc1c(F)cccc1SCCN1C[C@H]2CC[C@@H](C1)O2 ZINC000570817052 383637853 /nfs/dbraw/zinc/63/78/53/383637853.db2.gz ZXIVANVWQZIXQT-TXEJJXNPSA-N 0 1 292.379 2.653 20 30 CFEDMN C=C(C)CNC(=O)c1cccc(C(F)(F)F)c1O ZINC000570813414 383638226 /nfs/dbraw/zinc/63/82/26/383638226.db2.gz FRRMHOGWAIQBBL-UHFFFAOYSA-N 0 1 259.227 2.717 20 30 CFEDMN CCC(C#N)(CC)C(=O)N1CCN(C2CCCCC2)CC1 ZINC000528842728 383652843 /nfs/dbraw/zinc/65/28/43/383652843.db2.gz DISPVKGEDQDAQV-UHFFFAOYSA-N 0 1 291.439 2.793 20 30 CFEDMN CCO[C@@H]1CCN(Cc2cc(C#N)ccc2F)C[C@@H]1C ZINC000451525962 383634946 /nfs/dbraw/zinc/63/49/46/383634946.db2.gz MXMRFZBIPIYOMU-BLLLJJGKSA-N 0 1 276.355 2.944 20 30 CFEDMN CCC(C#N)(CC)C(=O)C(C#N)c1nc(C)cs1 ZINC000528910684 383675296 /nfs/dbraw/zinc/67/52/96/383675296.db2.gz TUASZTWLHSWTKP-SNVBAGLBSA-N 0 1 261.350 2.958 20 30 CFEDMN N#C[C@@H](C(=O)NC1CCCCC1)C(=O)[C@@H]1CCCC12CC2 ZINC000528916226 383676089 /nfs/dbraw/zinc/67/60/89/383676089.db2.gz DKVTUFBSLOCRQN-KGLIPLIRSA-N 0 1 288.391 2.724 20 30 CFEDMN N#CC(C(=O)NCc1ccccc1)C(=O)[C@@H]1CCCC12CC2 ZINC000528917391 383676238 /nfs/dbraw/zinc/67/62/38/383676238.db2.gz GWXCVSDYYAOZCH-CABCVRRESA-N 0 1 296.370 2.592 20 30 CFEDMN CC(C)[C@H]1CN(C(=O)[C@H](C)C#N)CCN1Cc1ccccc1 ZINC000529802257 383755403 /nfs/dbraw/zinc/75/54/03/383755403.db2.gz GALWMBCDPYGQKI-NVXWUHKLSA-N 0 1 299.418 2.515 20 30 CFEDMN C=C(C)CN(Cc1cnn(C(C)C)c1)C[C@@H](O)C(C)C ZINC000433199150 383756265 /nfs/dbraw/zinc/75/62/65/383756265.db2.gz KAZHQDQZOZMXDE-MRXNPFEDSA-N 0 1 279.428 2.859 20 30 CFEDMN CCN(C(=O)c1cnc(C)[nH]1)[C@H](C)c1ccc(C#N)cc1 ZINC000264624685 383764358 /nfs/dbraw/zinc/76/43/58/383764358.db2.gz MFXQVOCGRVOBMW-LLVKDONJSA-N 0 1 282.347 2.813 20 30 CFEDMN COCCC1CCN(Cn2nc(C#N)c3ccccc32)CC1 ZINC000530095140 383764387 /nfs/dbraw/zinc/76/43/87/383764387.db2.gz MDOGTEUBLWOYBL-UHFFFAOYSA-N 0 1 298.390 2.614 20 30 CFEDMN CCc1cncc(C(=O)[C@@H](C#N)c2cc(C)nc(C)n2)c1 ZINC000434623630 383769899 /nfs/dbraw/zinc/76/98/99/383769899.db2.gz DFPVNAKXNSRRRU-AWEZNQCLSA-N 0 1 280.331 2.541 20 30 CFEDMN CCc1cncc(C(=O)C(C#N)c2cc(C)nc(C)n2)c1 ZINC000434623630 383769902 /nfs/dbraw/zinc/76/99/02/383769902.db2.gz DFPVNAKXNSRRRU-AWEZNQCLSA-N 0 1 280.331 2.541 20 30 CFEDMN CCN(CCC(=O)Nc1cccc(F)c1C)C[C@H](C)C#N ZINC000435678967 383778141 /nfs/dbraw/zinc/77/81/41/383778141.db2.gz URCGSELKTPVPET-GFCCVEGCSA-N 0 1 291.370 2.944 20 30 CFEDMN C=CCC(C)(C)CNC(=O)[C@@H]1CCN1C1CCCC1 ZINC000635959112 383670931 /nfs/dbraw/zinc/67/09/31/383670931.db2.gz CNSNCIRMYWFWLQ-AWEZNQCLSA-N 0 1 264.413 2.722 20 30 CFEDMN C=CCC[C@@H](O)CN1CCCC[C@H]1c1nccn1CC ZINC000280968415 195050119 /nfs/dbraw/zinc/05/01/19/195050119.db2.gz KIOQLMKGEMMXBV-CABCVRRESA-N 0 1 277.412 2.757 20 30 CFEDMN CCO[C@@H]1C[C@H]1N[C@H](CCC#N)c1ccc(OC)cc1 ZINC000572587963 383794873 /nfs/dbraw/zinc/79/48/73/383794873.db2.gz DLAUOJQKVIHDAR-BZUAXINKSA-N 0 1 274.364 2.807 20 30 CFEDMN C=C1CC(C)(C(=O)N2CCN(C)[C@@H](C(C)(C)C)C2)C1 ZINC000640611672 383845507 /nfs/dbraw/zinc/84/55/07/383845507.db2.gz IWOLRPSZXXNHKG-CYBMUJFWSA-N 0 1 264.413 2.531 20 30 CFEDMN C=CCOc1ccc(CNCc2cnn(CC)c2)cc1 ZINC000265459934 383921557 /nfs/dbraw/zinc/92/15/57/383921557.db2.gz GMTIWMRFQHKIHQ-UHFFFAOYSA-N 0 1 271.364 2.758 20 30 CFEDMN C[C@@H](NC(=O)c1ccc(F)cc1O)c1ccc(C#N)cc1 ZINC000436759804 383890646 /nfs/dbraw/zinc/89/06/46/383890646.db2.gz GRVJECQJNSRDQX-SNVBAGLBSA-N 0 1 284.290 2.894 20 30 CFEDMN C=CCNC(=O)[C@H](C)N1CCC[C@H]1c1cccs1 ZINC000265772355 383995558 /nfs/dbraw/zinc/99/55/58/383995558.db2.gz DQVQUPRYBUYBHP-RYUDHWBXSA-N 0 1 264.394 2.576 20 30 CFEDMN CCC(=O)c1ccc(O)c(NC(=O)CC2(C#N)CC2)c1 ZINC000646518167 384019342 /nfs/dbraw/zinc/01/93/42/384019342.db2.gz NIFOWHHSPQQNHT-UHFFFAOYSA-N 0 1 272.304 2.617 20 30 CFEDMN C=C1CCN(CCCn2c3ccccc3[nH]c2=O)CC1 ZINC000532553212 384046373 /nfs/dbraw/zinc/04/63/73/384046373.db2.gz MKKMBSXMLDXETE-UHFFFAOYSA-N 0 1 271.364 2.784 20 30 CFEDMN CC[C@@H](CO)N(Cc1ccccc1)Cc1ccc(C#N)cn1 ZINC000574336809 384082018 /nfs/dbraw/zinc/08/20/18/384082018.db2.gz ZAHWJZLHTSHCJY-SFHVURJKSA-N 0 1 295.386 2.726 20 30 CFEDMN C[C@H](COc1cccc(F)c1)NCc1ccc(C#N)o1 ZINC000266240137 384125999 /nfs/dbraw/zinc/12/59/99/384125999.db2.gz WYFAIFJWROYGNS-LLVKDONJSA-N 0 1 274.295 2.847 20 30 CFEDMN CC1(C#N)CCN(C[C@@H]2CN(c3ccccc3)CCO2)CC1 ZINC000574924556 384165203 /nfs/dbraw/zinc/16/52/03/384165203.db2.gz WDGOKKDBEZAPKP-QGZVFWFLSA-N 0 1 299.418 2.517 20 30 CFEDMN C=CCCCCCN(C)C(=O)CCSc1nnc(C)[nH]1 ZINC000266896227 384255986 /nfs/dbraw/zinc/25/59/86/384255986.db2.gz ODEJDALXVQTTJN-UHFFFAOYSA-N 0 1 296.440 2.800 20 30 CFEDMN CCc1nc(CNc2ccc(C(F)(F)F)c(C#N)c2)n[nH]1 ZINC000277491755 384318092 /nfs/dbraw/zinc/31/80/92/384318092.db2.gz CKJMOEWSZCSZMW-UHFFFAOYSA-N 0 1 295.268 2.870 20 30 CFEDMN CC[C@H](C)c1nc([C@H](C)Nc2ncccc2C#N)n[nH]1 ZINC000277438101 384301046 /nfs/dbraw/zinc/30/10/46/384301046.db2.gz OCTMALNIYOEPOX-UWVGGRQHSA-N 0 1 270.340 2.758 20 30 CFEDMN N#Cc1cccc(CN2CCC[C@@H]([C@@H](O)C(F)(F)F)C2)c1 ZINC000277632534 384359544 /nfs/dbraw/zinc/35/95/44/384359544.db2.gz BKIIZFMGXSLTQX-ZIAGYGMSSA-N 0 1 298.308 2.693 20 30 CFEDMN N#Cc1ccc(CN2CCC[C@@H]([C@@H](O)C(F)(F)F)C2)cc1 ZINC000277700024 384380194 /nfs/dbraw/zinc/38/01/94/384380194.db2.gz HRWVHUHFLJNRGT-ZIAGYGMSSA-N 0 1 298.308 2.693 20 30 CFEDMN N#Cc1ccc(CN2CCC[C@H]([C@@H](O)C(F)(F)F)C2)cc1 ZINC000277700021 384380720 /nfs/dbraw/zinc/38/07/20/384380720.db2.gz HRWVHUHFLJNRGT-UONOGXRCSA-N 0 1 298.308 2.693 20 30 CFEDMN C#CCCCN1[C@H](C(=O)OC)CC[C@H]1c1ccccc1 ZINC000279152091 384608361 /nfs/dbraw/zinc/60/83/61/384608361.db2.gz YVHFBWNDLSBKTH-HOTGVXAUSA-N 0 1 271.360 2.779 20 30 CFEDMN C=CCOc1cccc(C[N@@H+]2CCC[C@@](C)(O)CC2)c1 ZINC000279759510 384749368 /nfs/dbraw/zinc/74/93/68/384749368.db2.gz ZRCVIKKOFRXFKS-QGZVFWFLSA-N 0 1 275.392 2.988 20 30 CFEDMN CN(Cc1ccc(C#N)cc1F)[C@H](CO)C(C)(C)C ZINC000269695047 384840272 /nfs/dbraw/zinc/84/02/72/384840272.db2.gz XGPIPHNDYZPDOG-CQSZACIVSA-N 0 1 264.344 2.536 20 30 CFEDMN C=CC[C@@H](C(=O)NOCCSC)c1ccccc1 ZINC000280129171 384896080 /nfs/dbraw/zinc/89/60/80/384896080.db2.gz WKHQHKITMIIFAV-CYBMUJFWSA-N 0 1 265.378 2.757 20 30 CFEDMN C#CCCN(Cc1ccccc1OC)C[C@@H]1CCCO1 ZINC000269895375 384897456 /nfs/dbraw/zinc/89/74/56/384897456.db2.gz MUHXJIUBRHCTMW-INIZCTEOSA-N 0 1 273.376 2.700 20 30 CFEDMN C#CC[C@H](NCc1cnn(C)c1C)c1ccccc1 ZINC000270224176 385020983 /nfs/dbraw/zinc/02/09/83/385020983.db2.gz PTFKNOLEYCREMP-INIZCTEOSA-N 0 1 253.349 2.583 20 30 CFEDMN C#CCOc1ccc(CN[C@H](C)c2n[nH]c(C(C)C)n2)cc1 ZINC000270707906 385200500 /nfs/dbraw/zinc/20/05/00/385200500.db2.gz KHDSHKXNBZCLGX-CYBMUJFWSA-N 0 1 298.390 2.791 20 30 CFEDMN C=CCN1CC[C@H](N[C@@H](C)c2cccc(OCC)c2)C1=O ZINC000281180477 195138204 /nfs/dbraw/zinc/13/82/04/195138204.db2.gz LTHSLYZKCJUCLO-BBRMVZONSA-N 0 1 288.391 2.523 20 30 CFEDMN C#C[C@H](C)NCc1cc(Br)c(OC)s1 ZINC000289072986 197227469 /nfs/dbraw/zinc/22/74/69/197227469.db2.gz AKPWEHQICXVZLE-ZETCQYMHSA-N 0 1 274.183 2.631 20 30 CFEDMN N#Cc1ccc(CN[C@]2(CO)CCCc3ccccc32)s1 ZINC000282374445 385296923 /nfs/dbraw/zinc/29/69/23/385296923.db2.gz OCDUNENFDRFJCA-KRWDZBQOSA-N 0 1 298.411 2.933 20 30 CFEDMN C[C@H](C#N)CN(C)Cc1cnc(-c2ccccc2)[nH]1 ZINC000271130792 385345840 /nfs/dbraw/zinc/34/58/40/385345840.db2.gz OKZQFAGYLTWZMG-GFCCVEGCSA-N 0 1 254.337 2.668 20 30 CFEDMN C=C1CCN(Cc2c[nH]nc2-c2cccnc2)CC1 ZINC000271155275 385354279 /nfs/dbraw/zinc/35/42/79/385354279.db2.gz HBESMMYXUKPFAB-UHFFFAOYSA-N 0 1 254.337 2.624 20 30 CFEDMN Cc1ncc([C@@H](C)NCc2ccc(OCC#N)cc2)c(C)n1 ZINC000271483484 385384666 /nfs/dbraw/zinc/38/46/66/385384666.db2.gz NRMLMBFRZSDXHK-GFCCVEGCSA-N 0 1 296.374 2.847 20 30 CFEDMN C#CCCCN(CC)CC(=O)Nc1c(F)cccc1F ZINC000271068323 385328205 /nfs/dbraw/zinc/32/82/05/385328205.db2.gz UXRUZCBAGOXJDF-UHFFFAOYSA-N 0 1 280.318 2.639 20 30 CFEDMN CCc1nc([C@@H](C)N[C@H](C)c2ccc(C#N)cc2)n[nH]1 ZINC000271912362 385399039 /nfs/dbraw/zinc/39/90/39/385399039.db2.gz YEMRSTDOTISLGH-GHMZBOCLSA-N 0 1 269.352 2.651 20 30 CFEDMN Cc1cc([C@@H]2CCCN(C(=O)c3cccc(C#N)c3)C2)n[nH]1 ZINC000282851183 385399382 /nfs/dbraw/zinc/39/93/82/385399382.db2.gz QFJGMNLHJIKAKH-OAHLLOKOSA-N 0 1 294.358 2.610 20 30 CFEDMN CCn1cc(CN[C@H](C)c2ccc(C#N)c(F)c2)cn1 ZINC000271919565 385401825 /nfs/dbraw/zinc/40/18/25/385401825.db2.gz DFBZZPVDBCXJIB-LLVKDONJSA-N 0 1 272.327 2.765 20 30 CFEDMN C[C@@H](C#N)C(=O)Nc1nc(-c2ccc(C(C)(C)C)cc2)n[nH]1 ZINC000347061254 533122032 /nfs/dbraw/zinc/12/20/32/533122032.db2.gz DXFFGPLKBLVBHE-JTQLQIEISA-N 0 1 297.362 2.867 20 30 CFEDMN CC1=CCN([C@@H]2CCCN(c3ccc(C#N)cc3)C2=O)CC1 ZINC000272485080 385550601 /nfs/dbraw/zinc/55/06/01/385550601.db2.gz MLERWANUCIXMRX-QGZVFWFLSA-N 0 1 295.386 2.706 20 30 CFEDMN CC(=O)c1ccc2c(c1)CCN(CC1(CC#N)CC1)CC2 ZINC000639563919 385584494 /nfs/dbraw/zinc/58/44/94/385584494.db2.gz DAGDYZDKVJHDBB-UHFFFAOYSA-N 0 1 282.387 2.984 20 30 CFEDMN C=CCS(=O)(=O)CCNCc1ccc(CC(C)C)cc1 ZINC000272819369 385625147 /nfs/dbraw/zinc/62/51/47/385625147.db2.gz IPKNLDRTQASDOV-UHFFFAOYSA-N 0 1 295.448 2.576 20 30 CFEDMN C=CCSCCNCc1c(OC)cccc1OC ZINC000286543073 385644753 /nfs/dbraw/zinc/64/47/53/385644753.db2.gz OHWFKDANXDBJKZ-UHFFFAOYSA-N 0 1 267.394 2.713 20 30 CFEDMN C#CCOc1ccccc1CNCc1cnn(CC(C)C)c1 ZINC000272925487 385655205 /nfs/dbraw/zinc/65/52/05/385655205.db2.gz REMUYJBBINGPKX-UHFFFAOYSA-N 0 1 297.402 2.841 20 30 CFEDMN C#CCN(C[C@@H](O)c1ccc(Br)cc1)C1CC1 ZINC000274188641 385735507 /nfs/dbraw/zinc/73/55/07/385735507.db2.gz PTHOAIILJVYNTB-CQSZACIVSA-N 0 1 294.192 2.580 20 30 CFEDMN C=C(C)CN(CC)C(=O)CN[C@@H](C)c1cnc(C)s1 ZINC000639993873 385811428 /nfs/dbraw/zinc/81/14/28/385811428.db2.gz FDVROFCRSCAPKK-NSHDSACASA-N 0 1 281.425 2.527 20 30 CFEDMN C=CCCCCNC(=O)Cc1[nH]nc2ccccc21 ZINC000274712633 385854955 /nfs/dbraw/zinc/85/49/55/385854955.db2.gz QTDIQXZAYVWWHE-UHFFFAOYSA-N 0 1 257.337 2.578 20 30 CFEDMN C=C(C)CCN1CCOC[C@H]1C[C@H](O)c1ccccc1 ZINC000274792025 385872230 /nfs/dbraw/zinc/87/22/30/385872230.db2.gz OIHVBZXBVPJDJV-SJORKVTESA-N 0 1 275.392 2.777 20 30 CFEDMN C=C(C)CCN1CCOC[C@H]1C[C@@H](O)c1cccs1 ZINC000274817137 385876939 /nfs/dbraw/zinc/87/69/39/385876939.db2.gz XBJRVTYXPHRXIN-ZIAGYGMSSA-N 0 1 281.421 2.839 20 30 CFEDMN C=C(C)CCN1CCOC[C@H]1C[C@H](O)c1cccs1 ZINC000274817133 385877069 /nfs/dbraw/zinc/87/70/69/385877069.db2.gz XBJRVTYXPHRXIN-KGLIPLIRSA-N 0 1 281.421 2.839 20 30 CFEDMN C=CCN(C)Cc1cc2c(cc1SC)OCCO2 ZINC000275137918 385944044 /nfs/dbraw/zinc/94/40/44/385944044.db2.gz MUQZLBUEWZAETP-UHFFFAOYSA-N 0 1 265.378 2.798 20 30 CFEDMN C#CCN(Cc1ccc(N(C)C(C)C)nc1)C1CC1 ZINC000276766471 386038163 /nfs/dbraw/zinc/03/81/63/386038163.db2.gz NUSLVOLFYNJQPB-UHFFFAOYSA-N 0 1 257.381 2.524 20 30 CFEDMN C(#Cc1ccccc1)CN1CCC[C@H](c2ncc[nH]2)C1 ZINC000276887573 386070771 /nfs/dbraw/zinc/07/07/71/386070771.db2.gz BQKAJUWLUDYVCS-INIZCTEOSA-N 0 1 265.360 2.641 20 30 CFEDMN C=CCN1CC[C@H](N[C@H](C)c2cc3ccccc3o2)C1=O ZINC000281253980 195169363 /nfs/dbraw/zinc/16/93/63/195169363.db2.gz HAGJIOJNCODXMX-OCCSQVGLSA-N 0 1 284.359 2.870 20 30 CFEDMN C=CCN1CC[C@H](N[C@@H](C)c2ccc(Cl)cc2)C1=O ZINC000281333987 195201099 /nfs/dbraw/zinc/20/10/99/195201099.db2.gz WBBCYJIATQCCSA-FZMZJTMJSA-N 0 1 278.783 2.778 20 30 CFEDMN C=CCN1CC[C@H](N(C)Cc2ccc(C(F)F)cc2)C1=O ZINC000281409557 195229491 /nfs/dbraw/zinc/22/94/91/195229491.db2.gz YDAOTUZQAFEELW-AWEZNQCLSA-N 0 1 294.345 2.843 20 30 CFEDMN CCC#C[C@@H](C)N1CCC[C@@](OC)(C(F)(F)F)C1 ZINC000682040546 542510480 /nfs/dbraw/zinc/51/04/80/542510480.db2.gz MAVXFGDKVXYLEO-NEPJUHHUSA-N 0 1 263.303 2.832 20 30 CFEDMN CC(C)c1nc(C2CCN(CCCC#N)CC2)no1 ZINC000370764461 260029885 /nfs/dbraw/zinc/02/98/85/260029885.db2.gz XFXUYBWLESNLAS-UHFFFAOYSA-N 0 1 262.357 2.676 20 30 CFEDMN C=C[C@@](C)(CC)C(=O)Nc1cnn(-c2ccncc2)c1 ZINC000682361881 542540862 /nfs/dbraw/zinc/54/08/62/542540862.db2.gz QVHISOCVFMDNOH-HNNXBMFYSA-N 0 1 270.336 2.808 20 30 CFEDMN C=CCOc1cccc(NC(=O)c2ncccc2O)c1 ZINC000171271798 335061422 /nfs/dbraw/zinc/06/14/22/335061422.db2.gz HYQQRIYKHXJFLH-UHFFFAOYSA-N 0 1 270.288 2.604 20 30 CFEDMN CO[C@H](C)CN1CCC[C@@H]1[C@@H](C#N)c1ccccc1 ZINC000336804483 262395934 /nfs/dbraw/zinc/39/59/34/262395934.db2.gz CZMVSMKJAOLLMD-VNQPRFMTSA-N 0 1 258.365 2.793 20 30 CFEDMN COC[C@@H](NCc1cc(C#N)n(C)c1)c1ccc(F)cc1 ZINC000359740502 130538566 /nfs/dbraw/zinc/53/85/66/130538566.db2.gz STIGSLAVILZOSM-MRXNPFEDSA-N 0 1 287.338 2.513 20 30 CFEDMN C[C@@H]1CN(CCCNc2ccc(C#N)cc2F)C[C@H](C)O1 ZINC000263664967 131304400 /nfs/dbraw/zinc/30/44/00/131304400.db2.gz FINXJGYRHOWAEG-BETUJISGSA-N 0 1 291.370 2.609 20 30 CFEDMN C=CCCC(=O)NC[C@@H](c1ccco1)N(CC)CC ZINC000263854103 131346576 /nfs/dbraw/zinc/34/65/76/131346576.db2.gz VUVZJHRSBOZIJK-ZDUSSCGKSA-N 0 1 264.369 2.745 20 30 CFEDMN C=CCCCN1CCOC[C@@H]1C[C@H](O)c1ccccc1 ZINC000268735813 132058439 /nfs/dbraw/zinc/05/84/39/132058439.db2.gz YIJVBOFVUMOVTJ-IRXDYDNUSA-N 0 1 275.392 2.777 20 30 CFEDMN C=CCCCCCN1CCc2ccccc2[C@@H]1C(N)=O ZINC000683783082 542724074 /nfs/dbraw/zinc/72/40/74/542724074.db2.gz CSAAUQHSGHFBHB-MRXNPFEDSA-N 0 1 272.392 2.818 20 30 CFEDMN C[C@@H](C[N@H+]1CCC[C@H](C)C1)NCc1ccc(C#N)cc1F ZINC000269445018 132172387 /nfs/dbraw/zinc/17/23/87/132172387.db2.gz UPJGEYFCWKWMBQ-KBPBESRZSA-N 0 1 289.398 2.907 20 30 CFEDMN C=C(C)CN(C)CC(=O)N[C@@H](c1ccccc1)C1CC1 ZINC000181294885 393493783 /nfs/dbraw/zinc/49/37/83/393493783.db2.gz STDISMGANRSXKO-KRWDZBQOSA-N 0 1 272.392 2.762 20 30 CFEDMN C=C(C)CCN[C@H](C)c1ncc(Br)cn1 ZINC000308936440 393515449 /nfs/dbraw/zinc/51/54/49/393515449.db2.gz OFXYKKYXLNIYOM-SECBINFHSA-N 0 1 270.174 2.856 20 30 CFEDMN CC#CCN[C@@H]1CCOc2c(Br)cccc21 ZINC000309607541 393516995 /nfs/dbraw/zinc/51/69/95/393516995.db2.gz LSHNTDMBMRXDNN-GFCCVEGCSA-N 0 1 280.165 2.886 20 30 CFEDMN C[C@@H]1CCCC[C@@H]1CNC(=O)N[C@@H]1CCc2nc[nH]c2C1 ZINC000329637894 393545118 /nfs/dbraw/zinc/54/51/18/393545118.db2.gz YUEBXYICSFTYGT-JHJVBQTASA-N 0 1 290.411 2.597 20 30 CFEDMN C=CCCOCCN[C@H](COC)c1ccc(F)c(F)c1 ZINC000183397467 393519888 /nfs/dbraw/zinc/51/98/88/393519888.db2.gz XOOZHUSJEKDBQQ-OAHLLOKOSA-N 0 1 285.334 2.835 20 30 CFEDMN C[C@H](NC(=O)[C@@H]1CCCc2[nH]ncc21)[C@@H]1CCCOC1 ZINC000329504708 393538832 /nfs/dbraw/zinc/53/88/32/393538832.db2.gz LEHRFHNHFHGUDJ-QJPTWQEYSA-N 0 1 277.368 2.601 20 30 CFEDMN CCN(C(=O)CCc1cnc[nH]1)[C@H](C)c1ccc(C#N)cc1 ZINC000188734831 393568081 /nfs/dbraw/zinc/56/80/81/393568081.db2.gz JQMQKMBVTJXJST-CYBMUJFWSA-N 0 1 296.374 2.824 20 30 CFEDMN Cc1ccc(CN(C)Cc2ccnc(C#N)c2)cc1 ZINC000068765594 393635972 /nfs/dbraw/zinc/63/59/72/393635972.db2.gz WMUABOYWLVJKRQ-UHFFFAOYSA-N 0 1 251.333 2.894 20 30 CFEDMN C[C@@H]1CC[C@H](O)[C@@H]([C@H]2CCCCN2CCC#N)C1 ZINC000411658262 393736162 /nfs/dbraw/zinc/73/61/62/393736162.db2.gz BMKMYQKVPDDIAS-TUVASFSCSA-N 0 1 250.386 2.552 20 30 CFEDMN C[C@@H]1CC[C@H](O)[C@H]([C@H]2CCCCN2CCC#N)C1 ZINC000411658256 393736264 /nfs/dbraw/zinc/73/62/64/393736264.db2.gz BMKMYQKVPDDIAS-BARDWOONSA-N 0 1 250.386 2.552 20 30 CFEDMN CO[C@@H]1C[C@@H](c2ccccc2)CC[C@H]1NCCC#N ZINC000411728066 393742690 /nfs/dbraw/zinc/74/26/90/393742690.db2.gz KJMRLEQHTZXPRP-ARFHVFGLSA-N 0 1 258.365 2.841 20 30 CFEDMN C[C@@H]1[C@H](CO)CCCN1CC#Cc1cccc(Cl)c1 ZINC000412098232 393762411 /nfs/dbraw/zinc/76/24/11/393762411.db2.gz VPCBJYRQECECAG-HIFRSBDPSA-N 0 1 277.795 2.784 20 30 CFEDMN C[C@@H](CCC#N)N1CC[C@@]2(C1)CC(=O)c1ccccc1O2 ZINC000411976624 393758173 /nfs/dbraw/zinc/75/81/73/393758173.db2.gz DPMXUONZPBDUQV-GUYCJALGSA-N 0 1 284.359 2.789 20 30 CFEDMN CC(C)(C#N)C(=O)Nc1ccc2nc([C@@H]3CCCO3)[nH]c2c1 ZINC000194863154 393720910 /nfs/dbraw/zinc/72/09/10/393720910.db2.gz HOZZKGAJABNQJS-ZDUSSCGKSA-N 0 1 298.346 2.903 20 30 CFEDMN Cc1ccc(-c2n[nH]c(SCCOCCC#N)n2)cc1 ZINC000338522669 393789871 /nfs/dbraw/zinc/78/98/71/393789871.db2.gz CZJFHSKXGYHRFB-UHFFFAOYSA-N 0 1 288.376 2.803 20 30 CFEDMN CC[C@H]1CN(Cc2cc(C#N)cs2)CCS1 ZINC000093502389 393801073 /nfs/dbraw/zinc/80/10/73/393801073.db2.gz NTDTWESWZQQEBJ-NSHDSACASA-N 0 1 252.408 2.947 20 30 CFEDMN C=CCOCCN(C)Cc1cc(Cl)ccc1OC ZINC000338881945 393804451 /nfs/dbraw/zinc/80/44/51/393804451.db2.gz XBIRVCBJWFZJHN-UHFFFAOYSA-N 0 1 269.772 2.983 20 30 CFEDMN N#CCCOCCN[C@@H](c1ccccc1)c1ccccn1 ZINC000339024055 393811405 /nfs/dbraw/zinc/81/14/05/393811405.db2.gz RJRAYJMDOWLSKF-KRWDZBQOSA-N 0 1 281.359 2.691 20 30 CFEDMN CON1CCC(N(C)Cc2ccc(C#N)cc2Cl)CC1 ZINC000459579616 393883775 /nfs/dbraw/zinc/88/37/75/393883775.db2.gz KIBOURJKEOUHON-UHFFFAOYSA-N 0 1 293.798 2.669 20 30 CFEDMN C=C(C)Cn1c(CC2CC2)n[n-]c1=[NH+]c1cccc(OC)c1 ZINC000460395437 393889370 /nfs/dbraw/zinc/88/93/70/393889370.db2.gz SUUUQWPYADZGSP-UHFFFAOYSA-N 0 1 298.390 2.981 20 30 CFEDMN C=CCCC(=O)Nc1cccc2c1OCC[C@H]2N(C)C ZINC000345513425 393909543 /nfs/dbraw/zinc/90/95/43/393909543.db2.gz WCGILMYCUSWENK-CQSZACIVSA-N 0 1 274.364 2.977 20 30 CFEDMN COc1cc(C#N)ccc1CN1C[C@@H](C)S[C@H](C)C1 ZINC000121066098 393947018 /nfs/dbraw/zinc/94/70/18/393947018.db2.gz BJCRDKKNIYHYGU-VXGBXAGGSA-N 0 1 276.405 2.893 20 30 CFEDMN CC[C@@H](C#N)S(=O)(=O)Nc1c(C)cccc1SC ZINC000416949032 393946943 /nfs/dbraw/zinc/94/69/43/393946943.db2.gz CSLXRURPUDWDAT-JTQLQIEISA-N 0 1 284.406 2.761 20 30 CFEDMN C=CCCC[N@H+](C)CC(=O)Nc1ccccc1F ZINC000121068484 393947797 /nfs/dbraw/zinc/94/77/97/393947797.db2.gz DQGPYQSBYUMCKT-UHFFFAOYSA-N 0 1 250.317 2.662 20 30 CFEDMN C=CCCCN(C)CC(=O)Nc1ccccc1F ZINC000121068484 393947800 /nfs/dbraw/zinc/94/78/00/393947800.db2.gz DQGPYQSBYUMCKT-UHFFFAOYSA-N 0 1 250.317 2.662 20 30 CFEDMN C[C@H]1CN(C2CC2)C[C@H]1Nc1snc(Cl)c1C#N ZINC000271455529 394020725 /nfs/dbraw/zinc/02/07/25/394020725.db2.gz ZNEWDDZMCIIDMS-OIBJUYFYSA-N 0 1 282.800 2.563 20 30 CFEDMN CCCCN(CCCO)Cc1cc(F)ccc1C#N ZINC000271702944 394022423 /nfs/dbraw/zinc/02/24/23/394022423.db2.gz HRWGSVQXIMBFHV-UHFFFAOYSA-N 0 1 264.344 2.682 20 30 CFEDMN C=CCOc1ccccc1CN(C)[C@H]1CCCOC1 ZINC000348712615 393957652 /nfs/dbraw/zinc/95/76/52/393957652.db2.gz VHADUGBRJXKKPP-HNNXBMFYSA-N 0 1 261.365 2.862 20 30 CFEDMN CCOC1(C)CCN(Cc2cnc3ccc(C#N)cn23)CC1 ZINC000430105389 393959351 /nfs/dbraw/zinc/95/93/51/393959351.db2.gz NSLOSKUOFQUNMG-UHFFFAOYSA-N 0 1 298.390 2.597 20 30 CFEDMN COc1ccc(-c2n[nH]c(SCC3(C#N)CC3)n2)cc1 ZINC000349155201 393963638 /nfs/dbraw/zinc/96/36/38/393963638.db2.gz AVFFBKHXLNZUIR-UHFFFAOYSA-N 0 1 286.360 2.876 20 30 CFEDMN COC[C@H](N[C@@H]1CC[C@H](C#N)C1)c1ccc(F)c(F)c1 ZINC000349344691 393967966 /nfs/dbraw/zinc/96/79/66/393967966.db2.gz TULIRKZLGWZBHL-NVBFEUDRSA-N 0 1 280.318 2.934 20 30 CFEDMN CO[C@H](C)CN(C)CC#Cc1cccc(Cl)c1 ZINC000353209641 394026097 /nfs/dbraw/zinc/02/60/97/394026097.db2.gz ZYECSYBXPDNWCZ-GFCCVEGCSA-N 0 1 251.757 2.658 20 30 CFEDMN Fc1ccc(C#CCN2CCC[C@@H](c3ncc[nH]3)C2)cc1 ZINC000269616228 394005144 /nfs/dbraw/zinc/00/51/44/394005144.db2.gz GQOYECHYKCDYMS-OAHLLOKOSA-N 0 1 283.350 2.780 20 30 CFEDMN C=C(C)CN(Cc1ccccc1)C(=O)c1cnc(C)[nH]1 ZINC000352196809 394012118 /nfs/dbraw/zinc/01/21/18/394012118.db2.gz FXTVBMGHHREEHF-UHFFFAOYSA-N 0 1 269.348 2.937 20 30 CFEDMN Cc1oc(C#N)cc1C(=O)Nc1cc2cn[nH]c2cc1C ZINC000437191087 394049349 /nfs/dbraw/zinc/04/93/49/394049349.db2.gz RTYABRCOESMDKM-UHFFFAOYSA-N 0 1 280.287 2.897 20 30 CFEDMN C=CCN1CC[C@H](N(Cc2ccco2)C2CCCC2)C1=O ZINC000281907891 394091890 /nfs/dbraw/zinc/09/18/90/394091890.db2.gz GFIRYYDUSMABGP-INIZCTEOSA-N 0 1 288.391 2.811 20 30 CFEDMN COc1ccc(C#N)cc1CN[C@H](C)c1cccnc1 ZINC000130241366 394106755 /nfs/dbraw/zinc/10/67/55/394106755.db2.gz CJCLTDZZXQUJKV-GFCCVEGCSA-N 0 1 267.332 2.813 20 30 CFEDMN C=CCN1CC[C@@H](N(C)[C@H](C)c2ccccc2C)C1=O ZINC000282140583 394121552 /nfs/dbraw/zinc/12/15/52/394121552.db2.gz ZKOFWACZWPWSTQ-GDBMZVCRSA-N 0 1 272.392 2.775 20 30 CFEDMN C#CCCN(C)[C@]1(c2ccccc2)CCCCC1=O ZINC000284079083 394134892 /nfs/dbraw/zinc/13/48/92/394134892.db2.gz LGCGEQYLHVBBSP-KRWDZBQOSA-N 0 1 255.361 2.980 20 30 CFEDMN C=C(CC)CN(CCC(=O)OCC)Cc1cccnc1 ZINC000360491207 394153218 /nfs/dbraw/zinc/15/32/18/394153218.db2.gz QBAYQIZFSIFYRG-UHFFFAOYSA-N 0 1 276.380 2.803 20 30 CFEDMN COC(=O)[C@@H]1C[C@@H](C)CCN1CCCC(C)(C)C#N ZINC000360539854 394154135 /nfs/dbraw/zinc/15/41/35/394154135.db2.gz JXCJHXYBSNIGSV-STQMWFEESA-N 0 1 266.385 2.590 20 30 CFEDMN C=CCCN1CCN(C(=O)Cc2ccccc2Cl)CC1 ZINC000132621361 394159013 /nfs/dbraw/zinc/15/90/13/394159013.db2.gz NBJXIDUTBOUGLX-UHFFFAOYSA-N 0 1 292.810 2.603 20 30 CFEDMN Cc1cc(C)n([C@@H]2CCCN(Cc3cc(C#N)n(C)c3)C2)n1 ZINC000365235141 394230092 /nfs/dbraw/zinc/23/00/92/394230092.db2.gz SJKZKJUWDJZYOD-MRXNPFEDSA-N 0 1 297.406 2.547 20 30 CFEDMN C=C(CNC(=O)[C@H]1CCCc2[nH]cnc21)c1ccccc1 ZINC000366137862 394239588 /nfs/dbraw/zinc/23/95/88/394239588.db2.gz ZOLFMOIMBDPBKZ-AWEZNQCLSA-N 0 1 281.359 2.659 20 30 CFEDMN Cc1nc([C@H]2CCCCN2Cc2cc(C#N)ccc2F)n[nH]1 ZINC000366718802 394247343 /nfs/dbraw/zinc/24/73/43/394247343.db2.gz NYSRWXHFARUKOX-OAHLLOKOSA-N 0 1 299.353 2.851 20 30 CFEDMN C=CCC[C@@H](NC[C@H](O)C(F)(F)F)c1ccco1 ZINC000286055299 394185142 /nfs/dbraw/zinc/18/51/42/394185142.db2.gz LENBPXHHAYQRPS-KOLCDFICSA-N 0 1 263.259 2.800 20 30 CFEDMN N#Cc1ccc(F)c(CN2CC[C@H]3OCCC[C@@H]3C2)c1 ZINC000152853085 394278661 /nfs/dbraw/zinc/27/86/61/394278661.db2.gz VQKHZOMWDBBCBW-CZUORRHYSA-N 0 1 274.339 2.698 20 30 CFEDMN Fc1ccc(C#CCN2CCC(c3c[nH]cn3)CC2)cc1 ZINC000372170853 394307554 /nfs/dbraw/zinc/30/75/54/394307554.db2.gz WRCFPVWBNKFCCN-UHFFFAOYSA-N 0 1 283.350 2.780 20 30 CFEDMN Cc1nc(C(C#N)C(=O)NCc2ccccc2)sc1C ZINC000155659225 394321023 /nfs/dbraw/zinc/32/10/23/394321023.db2.gz XKENAPRNWZVHTG-CYBMUJFWSA-N 0 1 285.372 2.684 20 30 CFEDMN C=CCN1CCC(Nc2nc3ccc(N)cc3s2)CC1 ZINC000685270095 542900548 /nfs/dbraw/zinc/90/05/48/542900548.db2.gz PZMCMNLGRNMXMK-UHFFFAOYSA-N 0 1 288.420 2.941 20 30 CFEDMN CCC#C[C@@H](C)N1CC[C@@H](n2cc(Cl)cn2)C1 ZINC000685613407 542934228 /nfs/dbraw/zinc/93/42/28/542934228.db2.gz DYPSWTMNTSHTMF-DGCLKSJQSA-N 0 1 251.761 2.585 20 30 CFEDMN CCc1cnc(CN=c2ccc3cc(C#N)ccc3[nH]2)o1 ZINC000530539585 394525980 /nfs/dbraw/zinc/52/59/80/394525980.db2.gz QJSLHMJDFWIAIY-UHFFFAOYSA-N 0 1 278.315 2.691 20 30 CFEDMN N#Cc1ccc(C2=CCN(Cc3ccc(CO)o3)CC2)cc1 ZINC000537721983 394590795 /nfs/dbraw/zinc/59/07/95/394590795.db2.gz UZTJHKFVBAARRM-UHFFFAOYSA-N 0 1 294.354 2.933 20 30 CFEDMN COC(=O)c1cccc(CN2C[C@H](C)CC2(C)C)c1C#N ZINC000535962539 394550673 /nfs/dbraw/zinc/55/06/73/394550673.db2.gz GLXMDTGXDPJXOC-GFCCVEGCSA-N 0 1 286.375 2.965 20 30 CFEDMN COC(=O)c1cccc(CN(C)CC2CCCC2)c1C#N ZINC000535947005 394550808 /nfs/dbraw/zinc/55/08/08/394550808.db2.gz AIIPBJNJJUDMJZ-UHFFFAOYSA-N 0 1 286.375 2.967 20 30 CFEDMN N#Cc1cnccc1NC[C@H](c1ccco1)N1CCCCC1 ZINC000545947782 394810657 /nfs/dbraw/zinc/81/06/57/394810657.db2.gz SMNINCRXIVJGRR-MRXNPFEDSA-N 0 1 296.374 2.607 20 30 CFEDMN C[C@@H](NCc1ccc(C#N)cn1)c1ccc2c(c1)OCO2 ZINC000558247908 395055950 /nfs/dbraw/zinc/05/59/50/395055950.db2.gz ULNXJZDORONGAX-LLVKDONJSA-N 0 1 281.315 2.533 20 30 CFEDMN N#CC(C(=O)c1cnn2c1CCC2)c1nc(C2CC2)cs1 ZINC000647380029 395320935 /nfs/dbraw/zinc/32/09/35/395320935.db2.gz DQNRMIYRXVDJSF-JTQLQIEISA-N 0 1 298.371 2.653 20 30 CFEDMN C=CCN(CCOC)Cc1cn(C)nc1-c1ccc(C)o1 ZINC000648028539 395485332 /nfs/dbraw/zinc/48/53/32/395485332.db2.gz WLWDQUYLVSKPPV-UHFFFAOYSA-N 0 1 289.379 2.623 20 30 CFEDMN CN(CC(=O)Nc1ccc(C#N)cc1)C1CC(C)(C)C1 ZINC000395372274 397554225 /nfs/dbraw/zinc/55/42/25/397554225.db2.gz LQAQHMWFEDXQLQ-UHFFFAOYSA-N 0 1 271.364 2.617 20 30 CFEDMN C#C[C@@H](C)N(C)Cc1cn(CCC#N)nc1-c1ccccc1 ZINC000491643754 397581389 /nfs/dbraw/zinc/58/13/89/397581389.db2.gz HBPCEQQOUAPEPK-OAHLLOKOSA-N 0 1 292.386 2.917 20 30 CFEDMN CC(C)CCNC(=O)[C@@H](C)N[C@H](C)c1cccc(C#N)c1 ZINC000610346307 397587702 /nfs/dbraw/zinc/58/77/02/397587702.db2.gz SMNPNDZOMHZBDZ-ZIAGYGMSSA-N 0 1 287.407 2.760 20 30 CFEDMN C=CC[C@@H]1CCC[N@H+](Cc2nc(C(=O)[O-])cs2)C1 ZINC000656759668 413191818 /nfs/dbraw/zinc/19/18/18/413191818.db2.gz JDLVNOOTENKOFG-SNVBAGLBSA-N 0 1 266.366 2.629 20 30 CFEDMN Cc1ccc(C#N)cc1NC(=O)c1cccc2nc[nH]c21 ZINC000356256374 155197568 /nfs/dbraw/zinc/19/75/68/155197568.db2.gz BOOQFUJKYKWWOQ-UHFFFAOYSA-N 0 1 276.299 2.995 20 30 CFEDMN CCN(Cc1nc(C#N)cs1)[C@@H]1CCOC(C)(C)C1 ZINC000356258802 155200055 /nfs/dbraw/zinc/20/00/55/155200055.db2.gz MKEUKAZSCZCGDQ-GFCCVEGCSA-N 0 1 279.409 2.794 20 30 CFEDMN CCc1nc(C)c(NC(=O)c2ccc(C#N)c(O)c2)s1 ZINC000356468009 155274406 /nfs/dbraw/zinc/27/44/06/155274406.db2.gz DSOSKTLPWZVBMZ-UHFFFAOYSA-N 0 1 287.344 2.844 20 30 CFEDMN COC(=O)c1cccc(CN(C)Cc2cccc(C#N)c2)c1 ZINC000356476199 155277630 /nfs/dbraw/zinc/27/76/30/155277630.db2.gz RXPDEIKXRHKXKR-UHFFFAOYSA-N 0 1 294.354 2.977 20 30 CFEDMN N#Cc1ccc(NC(=O)CNC2(c3ccccc3)CC2)cc1 ZINC000343051076 154096588 /nfs/dbraw/zinc/09/65/88/154096588.db2.gz ZYUWGDZGHZGCCO-UHFFFAOYSA-N 0 1 291.354 2.776 20 30 CFEDMN CC[C@H](CO)N(C)Cc1ccc(Br)cc1C#N ZINC000345824870 154275718 /nfs/dbraw/zinc/27/57/18/154275718.db2.gz DETDWGAICRULER-CYBMUJFWSA-N 0 1 297.196 2.523 20 30 CFEDMN Cc1cc(CN2C[C@@H](C3CC3)O[C@@H](C)C2)ccc1C#N ZINC000348203949 154361515 /nfs/dbraw/zinc/36/15/15/154361515.db2.gz CRACQJHSQJEARD-GUYCJALGSA-N 0 1 270.376 2.866 20 30 CFEDMN CCCC(=O)N1CCCN([C@H](C)c2ccc(C#N)cc2)CC1 ZINC000362933109 156119619 /nfs/dbraw/zinc/11/96/19/156119619.db2.gz SNUYXTYBYZUMTG-OAHLLOKOSA-N 0 1 299.418 2.954 20 30 CFEDMN C[C@@H](NCc1ncc(-c2ccc(C#N)cc2)o1)[C@@H]1CCCO1 ZINC000363831586 156197827 /nfs/dbraw/zinc/19/78/27/156197827.db2.gz ZJDNNSPKYKNODK-DOMZBBRYSA-N 0 1 297.358 2.870 20 30 CFEDMN C[C@H](NCc1ncc(-c2ccc(C#N)cc2)o1)[C@H]1CCCO1 ZINC000363831594 156198020 /nfs/dbraw/zinc/19/80/20/156198020.db2.gz ZJDNNSPKYKNODK-SWLSCSKDSA-N 0 1 297.358 2.870 20 30 CFEDMN CC1(C)CN(Cc2ccc(C#N)c(F)c2)CCCO1 ZINC000365246434 156228093 /nfs/dbraw/zinc/22/80/93/156228093.db2.gz ZOGIPDVFMGGNSM-UHFFFAOYSA-N 0 1 262.328 2.698 20 30 CFEDMN COc1cc(CN2CCC[C@H](n3cccn3)C2)ccc1C#N ZINC000374237326 157086822 /nfs/dbraw/zinc/08/68/22/157086822.db2.gz LJDODLGWYPBGDM-INIZCTEOSA-N 0 1 296.374 2.600 20 30 CFEDMN C[C@@]1(NCc2ccc(F)cc2C#N)CCO[C@H]1C1CC1 ZINC000374598516 157135697 /nfs/dbraw/zinc/13/56/97/157135697.db2.gz XGNGDWODNJFNPB-JKSUJKDBSA-N 0 1 274.339 2.745 20 30 CFEDMN C=CCN1C(=O)N=NC1SC[C@H](OC)C1CCCCC1 ZINC000657251368 413364906 /nfs/dbraw/zinc/36/49/06/413364906.db2.gz CRMLRTRMZNJPKL-LBPRGKRZSA-N 0 1 297.424 2.857 20 30 CFEDMN C=CCCn1cc(CN2CCC[C@H](C(C)C)C2)nn1 ZINC000653633198 413414070 /nfs/dbraw/zinc/41/40/70/413414070.db2.gz UTAZOPOOHBVERU-AWEZNQCLSA-N 0 1 262.401 2.722 20 30 CFEDMN N#Cc1ccncc1C(=O)Nc1ccc(O)c(Cl)c1 ZINC000345146839 162187158 /nfs/dbraw/zinc/18/71/58/162187158.db2.gz HWGFHFDJXGPJIM-UHFFFAOYSA-N 0 1 273.679 2.565 20 30 CFEDMN CC(C)CN(Cc1cncn1C)Cc1ccc(C#N)cc1 ZINC000350626646 163095813 /nfs/dbraw/zinc/09/58/13/163095813.db2.gz AXQQMCXTDSYGSY-UHFFFAOYSA-N 0 1 282.391 2.950 20 30 CFEDMN C[C@H](F)CCN1CCN(c2cccc(F)c2C#N)CC1 ZINC000351849942 163203150 /nfs/dbraw/zinc/20/31/50/163203150.db2.gz FVPYYEYDAYXMGZ-LBPRGKRZSA-N 0 1 279.334 2.567 20 30 CFEDMN CCO[C@H]1C[C@H](NCc2nc(C#N)cs2)C12CCCC2 ZINC000352810341 163239213 /nfs/dbraw/zinc/23/92/13/163239213.db2.gz MDPRETPJBJXGNT-STQMWFEESA-N 0 1 291.420 2.842 20 30 CFEDMN C[C@@H](Cc1ccccc1F)NCc1nc(C#N)cs1 ZINC000352836445 163247299 /nfs/dbraw/zinc/24/72/99/163247299.db2.gz UJJONUVGAPSKTK-JTQLQIEISA-N 0 1 275.352 2.875 20 30 CFEDMN C[C@H](Cc1cccs1)NCc1nc(C#N)cs1 ZINC000352838597 163249802 /nfs/dbraw/zinc/24/98/02/163249802.db2.gz FXJPFPPQMGQNIJ-SECBINFHSA-N 0 1 263.391 2.797 20 30 CFEDMN N#Cc1csc(CNCCCN2CCc3ccccc32)n1 ZINC000352839326 163249867 /nfs/dbraw/zinc/24/98/67/163249867.db2.gz JLBMOYUKGPFLRS-UHFFFAOYSA-N 0 1 298.415 2.557 20 30 CFEDMN N#Cc1csc(CN[C@H]2CCCN(c3ccccc3)C2)n1 ZINC000352844764 163251594 /nfs/dbraw/zinc/25/15/94/163251594.db2.gz QZMYZBGDPJTWFU-ZDUSSCGKSA-N 0 1 298.415 2.773 20 30 CFEDMN COCC(C)(C)CCCNCc1nc(C#N)cs1 ZINC000352934558 163273438 /nfs/dbraw/zinc/27/34/38/163273438.db2.gz HMLSYUBNRJGIJB-UHFFFAOYSA-N 0 1 267.398 2.557 20 30 CFEDMN COc1cc(CN[C@@H](C)c2cncc(F)c2)ccc1C#N ZINC000353211982 163317788 /nfs/dbraw/zinc/31/77/88/163317788.db2.gz PCWOBRRHNOWVLW-NSHDSACASA-N 0 1 285.322 2.952 20 30 CFEDMN N#Cc1cccc(CSc2nc(C3CC3)n[nH]2)c1 ZINC000022545896 171390903 /nfs/dbraw/zinc/39/09/03/171390903.db2.gz FLUDSEQFPDKGRW-UHFFFAOYSA-N 0 1 256.334 2.846 20 30 CFEDMN N#Cc1cccc(CSc2n[nH]c(C3CC3)n2)c1 ZINC000022545896 171390904 /nfs/dbraw/zinc/39/09/04/171390904.db2.gz FLUDSEQFPDKGRW-UHFFFAOYSA-N 0 1 256.334 2.846 20 30 CFEDMN C=CCNC(=O)[C@@H](C)N[C@H](CC)c1ccccc1F ZINC000653793351 413502543 /nfs/dbraw/zinc/50/25/43/413502543.db2.gz PZMJHMKQAHQWDZ-BXUZGUMPSA-N 0 1 264.344 2.557 20 30 CFEDMN C=CCNCc1ccc(OC)cc1Br ZINC000285352824 196258800 /nfs/dbraw/zinc/25/88/00/196258800.db2.gz DSRXEWWTRGJHKH-UHFFFAOYSA-N 0 1 256.143 2.733 20 30 CFEDMN C=CCOCCNCc1cccc(F)c1OC(F)F ZINC000657428767 413589266 /nfs/dbraw/zinc/58/92/66/413589266.db2.gz AYYVVRQUNUICOL-UHFFFAOYSA-N 0 1 275.270 2.719 20 30 CFEDMN C=CC[C@H]1CCCC[C@@H]1NCc1nnn(C(C)(C)C)n1 ZINC000657530511 413712710 /nfs/dbraw/zinc/71/27/10/413712710.db2.gz QKFUHDVHMYFGEF-STQMWFEESA-N 0 1 277.416 2.653 20 30 CFEDMN C=CCC1(NC(=O)N[C@H](C)Cc2cc(C)[nH]n2)CCCC1 ZINC000664474964 413791912 /nfs/dbraw/zinc/79/19/12/413791912.db2.gz LEJFAYJRIWJARC-GFCCVEGCSA-N 0 1 290.411 2.837 20 30 CFEDMN C=CCC1(NCc2nn(C)c(C)c2Cl)CCOCC1 ZINC000657635170 413811279 /nfs/dbraw/zinc/81/12/79/413811279.db2.gz YCPKLKZEBITZSX-UHFFFAOYSA-N 0 1 283.803 2.597 20 30 CFEDMN C=CC[C@H]1CCCC[C@H]1[NH2+]Cc1nc(CC)cc(=O)[n-]1 ZINC000661113893 413765961 /nfs/dbraw/zinc/76/59/61/413765961.db2.gz CITDFLLCVOXJBC-GXTWGEPZSA-N 0 1 275.396 2.969 20 30 CFEDMN C=CCCCCCNC(=O)N[C@H]1C[C@@H](C)[N@H+](C2CC2)C1 ZINC000654482069 413880878 /nfs/dbraw/zinc/88/08/78/413880878.db2.gz WUSDLPGVQIPWOK-KGLIPLIRSA-N 0 1 279.428 2.657 20 30 CFEDMN C=CC[C@@H]1CCCN(CC(=O)Nc2ccccc2)C1 ZINC000661378951 413936398 /nfs/dbraw/zinc/93/63/98/413936398.db2.gz PDVXSJDWEGJSHQ-CQSZACIVSA-N 0 1 258.365 2.913 20 30 CFEDMN C=CC[C@@H]1CCCN(CC(=O)Nc2ccc(Cl)cn2)C1 ZINC000661380769 413942766 /nfs/dbraw/zinc/94/27/66/413942766.db2.gz PLXDLZUJSQARCB-GFCCVEGCSA-N 0 1 293.798 2.962 20 30 CFEDMN C[C@@H]1CN(CC#Cc2cccc(Cl)c2)C[C@H](C)[C@H]1O ZINC000661623647 414089721 /nfs/dbraw/zinc/08/97/21/414089721.db2.gz GYTFFYMQCWTPHH-VIKVFOODSA-N 0 1 277.795 2.640 20 30 CFEDMN C=C[C@](C)(CC)C(=O)N1CCN(C(C)(C)CC)CC1 ZINC000655271235 414162712 /nfs/dbraw/zinc/16/27/12/414162712.db2.gz VZZNNEOTLMBYON-MRXNPFEDSA-N 0 1 266.429 2.922 20 30 CFEDMN C=CCCN[C@@H](c1ccn(C)n1)c1ccc(F)cc1 ZINC000658114884 414214544 /nfs/dbraw/zinc/21/45/44/414214544.db2.gz RUSROMLDKSARLZ-OAHLLOKOSA-N 0 1 259.328 2.814 20 30 CFEDMN CCC#C[C@H](C)Sc1nc(-c2cccnc2)n[nH]1 ZINC000665686295 414410474 /nfs/dbraw/zinc/41/04/74/414410474.db2.gz GBIBYCKNCLFFRR-JTQLQIEISA-N 0 1 258.350 2.761 20 30 CFEDMN C=C[C@H](CO)NCc1cc(Cl)ccc1OC(F)F ZINC000662167513 414439914 /nfs/dbraw/zinc/43/99/14/414439914.db2.gz HAORNDGQPDVDQL-SNVBAGLBSA-N 0 1 277.698 2.578 20 30 CFEDMN CCc1ncc(CNCc2cccc(C#N)c2)s1 ZINC000037924682 173863105 /nfs/dbraw/zinc/86/31/05/173863105.db2.gz IXFVHIKCBSTLDD-UHFFFAOYSA-N 0 1 257.362 2.867 20 30 CFEDMN C=CCC1(NC(=O)NCCCc2cn[nH]c2C)CCCC1 ZINC000656552165 414604444 /nfs/dbraw/zinc/60/44/44/414604444.db2.gz MVXUZLLLGAPVLP-UHFFFAOYSA-N 0 1 290.411 2.839 20 30 CFEDMN C=CC[C@H]1CCCN(C(=O)[C@H]2NCCc3ccccc32)C1 ZINC000662857219 414621398 /nfs/dbraw/zinc/62/13/98/414621398.db2.gz IIWHIUUDLPUVPM-YOEHRIQHSA-N 0 1 284.403 2.688 20 30 CFEDMN C=CCN(CCN1C[C@H](C)O[C@@H](C)C1)Cc1cccs1 ZINC000659816834 414566200 /nfs/dbraw/zinc/56/62/00/414566200.db2.gz VISVCNVJFBGVFX-GJZGRUSLSA-N 0 1 294.464 2.845 20 30 CFEDMN C=CC[C@@H](Cc1ccccc1)n1cc(CNC2CC2)nn1 ZINC000656457237 414581598 /nfs/dbraw/zinc/58/15/98/414581598.db2.gz HWOJAIFUNMZKHY-KRWDZBQOSA-N 0 1 282.391 2.890 20 30 CFEDMN C=CCN(C[C@H]1CCCCC1(C)C)[C@H]1CCS(=O)(=O)C1 ZINC000660069849 414657828 /nfs/dbraw/zinc/65/78/28/414657828.db2.gz MAUKIZKHDASGMD-CABCVRRESA-N 0 1 299.480 2.878 20 30 CFEDMN CCOC[C@H]1CCCN(Cc2ccccc2C#N)C1 ZINC000072976341 176445831 /nfs/dbraw/zinc/44/58/31/176445831.db2.gz DZFHDEOKVXMPHI-AWEZNQCLSA-N 0 1 258.365 2.807 20 30 CFEDMN C=C[C@H]1CCCCN1c1nc(C(F)(F)F)nc2[nH]cnc21 ZINC000575185467 335077346 /nfs/dbraw/zinc/07/73/46/335077346.db2.gz MMYVTCOPOWKYLG-QMMMGPOBSA-N 0 1 297.284 2.917 20 30 CFEDMN N#CC1(F)CCN(C(=O)c2cnc(-c3ccccc3)[nH]2)CC1 ZINC000354149490 226919292 /nfs/dbraw/zinc/91/92/92/226919292.db2.gz MRHQGFIEFJKTRU-UHFFFAOYSA-N 0 1 298.321 2.545 20 30 CFEDMN C[C@H](CN1CCOCC1)C(=O)N[C@H]1CCCc2occc21 ZINC000329063320 227279297 /nfs/dbraw/zinc/27/92/97/227279297.db2.gz OEGHYUMDXOHIQF-OCCSQVGLSA-N 0 1 292.379 2.582 20 30 CFEDMN Cc1n[nH]c(CCNC(=O)[C@]2(C)CCc3ccccc3C2)n1 ZINC000329083592 227288297 /nfs/dbraw/zinc/28/82/97/227288297.db2.gz FIDIEUIFAKFGRM-QGZVFWFLSA-N 0 1 298.390 2.807 20 30 CFEDMN O=C(N[C@@H]1C[C@H]1C1CCCCC1)[C@H]1CCc2[nH]nnc2C1 ZINC000329149506 227327953 /nfs/dbraw/zinc/32/79/53/227327953.db2.gz YYHJHUWZSCOTRP-SGMGOOAPSA-N 0 1 288.395 2.835 20 30 CFEDMN O=C(N[C@@H]1C[C@H]1C1CCCCC1)[C@H]1CCc2nn[nH]c2C1 ZINC000329149506 227327959 /nfs/dbraw/zinc/32/79/59/227327959.db2.gz YYHJHUWZSCOTRP-SGMGOOAPSA-N 0 1 288.395 2.835 20 30 CFEDMN C[C@@]1(NC(=O)c2cc(F)cc3nc[nH]c32)CCCOC1 ZINC000329165899 227334678 /nfs/dbraw/zinc/33/46/78/227334678.db2.gz HRIALRRHWZBYAE-CQSZACIVSA-N 0 1 277.299 2.576 20 30 CFEDMN C[C@H](NC(=O)[C@@H]1CCCc2[nH]ncc21)[C@H]1CCCOC1 ZINC000329504709 227557443 /nfs/dbraw/zinc/55/74/43/227557443.db2.gz LEHRFHNHFHGUDJ-SDDRHHMPSA-N 0 1 277.368 2.601 20 30 CFEDMN N#CC1(c2nc(C3(N)CCCCC3)no2)CCCC1 ZINC000331547313 228111148 /nfs/dbraw/zinc/11/11/48/228111148.db2.gz ISRWCTWRUMMVLR-UHFFFAOYSA-N 0 1 260.341 2.523 20 30 CFEDMN CCn1cc(-c2[nH]ncc2C(=O)N[C@@H]2CC=CCC2)cn1 ZINC000330216161 228069496 /nfs/dbraw/zinc/06/94/96/228069496.db2.gz HNFOFEXFPJMCPT-GFCCVEGCSA-N 0 1 285.351 2.706 20 30 CFEDMN N#C[C@@]1(c2nc(C3(N)CCCCC3)no2)CC12CCCC2 ZINC000333635915 228207708 /nfs/dbraw/zinc/20/77/08/228207708.db2.gz WNDYZNCYJAZIHL-OAHLLOKOSA-N 0 1 286.379 2.913 20 30 CFEDMN C=CC[C@H](C)NC(=O)[C@@H]1CCCN1Cc1ccccc1 ZINC000116855042 260005492 /nfs/dbraw/zinc/00/54/92/260005492.db2.gz XZFSKYVLYKOMNY-HOCLYGCPSA-N 0 1 272.392 2.732 20 30 CFEDMN C=CCNC(=O)CN(CC)Cc1ccc2ccccc2c1 ZINC000517853776 260311324 /nfs/dbraw/zinc/31/13/24/260311324.db2.gz MNYJHWPTMDSRBE-UHFFFAOYSA-N 0 1 282.387 2.964 20 30 CFEDMN N#CCCN(CCC(=O)Nc1cccc(F)c1)CC1CC1 ZINC000081044731 260330016 /nfs/dbraw/zinc/33/00/16/260330016.db2.gz OPOYEDRGWZCADI-UHFFFAOYSA-N 0 1 289.354 2.780 20 30 CFEDMN CSCCN(C)CC#Cc1ccc(Cl)cc1 ZINC000152328415 260642027 /nfs/dbraw/zinc/64/20/27/260642027.db2.gz HJMNLBJBEJMGQI-UHFFFAOYSA-N 0 1 253.798 2.986 20 30 CFEDMN C=CCN(CC=C)Cc1c[nH]nc1-c1cccnc1 ZINC000158139868 260878894 /nfs/dbraw/zinc/87/88/94/260878894.db2.gz UDANOYCUXUBXGY-UHFFFAOYSA-N 0 1 254.337 2.646 20 30 CFEDMN C#C[C@H](C)N(C)Cc1ccc(OC(=O)CC)c(OCC)c1 ZINC000491783863 262043108 /nfs/dbraw/zinc/04/31/08/262043108.db2.gz OFUMDYNEZTZDPQ-ZDUSSCGKSA-N 0 1 289.375 2.854 20 30 CFEDMN CC[C@@H](C#N)Sc1nc(-c2ccccc2O)n[nH]1 ZINC000194585807 262239755 /nfs/dbraw/zinc/23/97/55/262239755.db2.gz KIVJKQIDCBFXIW-QMMMGPOBSA-N 0 1 260.322 2.572 20 30 CFEDMN C=C(Cl)CNC(=O)[C@H]1CCc2[nH]c(C(C)C)nc2C1 ZINC000364528556 262253062 /nfs/dbraw/zinc/25/30/62/262253062.db2.gz JGFLIARVRCOMDU-JTQLQIEISA-N 0 1 281.787 2.507 20 30 CFEDMN C=C(C)CN1CCN(c2ccnc(-c3ccccc3)n2)CC1 ZINC000109797277 262255389 /nfs/dbraw/zinc/25/53/89/262255389.db2.gz JBTRCSMTPUBHRO-UHFFFAOYSA-N 0 1 294.402 2.842 20 30 CFEDMN C=CC1CCN([C@@H](C)C(=O)Nc2ccc(OC)cc2)CC1 ZINC000111259153 262259060 /nfs/dbraw/zinc/25/90/60/262259060.db2.gz ZUFQAJLSLGNCNO-ZDUSSCGKSA-N 0 1 288.391 2.920 20 30 CFEDMN C(#Cc1ccccc1)CN1CCC(n2cccn2)CC1 ZINC000365235564 262353298 /nfs/dbraw/zinc/35/32/98/262353298.db2.gz XDQXKKKOKMKWOX-UHFFFAOYSA-N 0 1 265.360 2.572 20 30 CFEDMN C=CCC[N@@H+]1C[C@@H](C2CCCCC2)C[C@@H]1C(=O)[O-] ZINC000518797670 262388985 /nfs/dbraw/zinc/38/89/85/262388985.db2.gz GCPVKSPIFXWIJO-UONOGXRCSA-N 0 1 251.370 2.918 20 30 CFEDMN C=CCN1CC[C@H](N[C@H](C)c2ccc(C)c(F)c2)C1=O ZINC000337172243 262428479 /nfs/dbraw/zinc/42/84/79/262428479.db2.gz FGKLFTMOUYKZKM-DOMZBBRYSA-N 0 1 276.355 2.572 20 30 CFEDMN C=CCN(CCc1ccccc1)[C@H](C)C(=O)NCCC ZINC000411193867 262682919 /nfs/dbraw/zinc/68/29/19/262682919.db2.gz FTWKEQQHSQBDCZ-OAHLLOKOSA-N 0 1 274.408 2.632 20 30 CFEDMN C[C@@H](C[S@@](C)=O)N(C)CCC1(C#N)CCCCC1 ZINC000411511238 262696776 /nfs/dbraw/zinc/69/67/76/262696776.db2.gz IHEUGLICJHDVMM-SCLBCKFNSA-N 0 1 270.442 2.549 20 30 CFEDMN CC1(C#N)CCN(Cc2ccc(N3CCCC3)nc2)CC1 ZINC000272539132 263006251 /nfs/dbraw/zinc/00/62/51/263006251.db2.gz ORYVEDYUZBKKGE-UHFFFAOYSA-N 0 1 284.407 2.807 20 30 CFEDMN COC(=O)c1ccccc1CCN1CCC(C)(C#N)CC1 ZINC000274800073 263030498 /nfs/dbraw/zinc/03/04/98/263030498.db2.gz FEAKBXIMTRAUIW-UHFFFAOYSA-N 0 1 286.375 2.641 20 30 CFEDMN CC1(C)[C@H](NCCC#N)C[C@@H]1OCc1ccccc1 ZINC000278749991 263050317 /nfs/dbraw/zinc/05/03/17/263050317.db2.gz SJDXDMQMJGHFRS-CABCVRRESA-N 0 1 258.365 2.874 20 30 CFEDMN N#C[C@@H]1CC[C@@H](N2CCN(c3ccc(F)cc3)CC2)C1 ZINC000278761499 263050554 /nfs/dbraw/zinc/05/05/54/263050554.db2.gz XXKSOGHSCRIZMK-CZUORRHYSA-N 0 1 273.355 2.640 20 30 CFEDMN C[N@@H+](Cc1nc(=O)c2sccc2[n-]1)[C@@H]1CC[C@@H](C#N)C1 ZINC000278759488 263050573 /nfs/dbraw/zinc/05/05/73/263050573.db2.gz XTDDAXYBMSUVTB-NXEZZACHSA-N 0 1 288.376 2.521 20 30 CFEDMN C[C@H]1CN(C)C[C@H](C)N1C(=O)c1ccc(C(C)(C)C#N)cc1 ZINC000281240570 263067656 /nfs/dbraw/zinc/06/76/56/263067656.db2.gz PLLWMFNTPGPFEY-KBPBESRZSA-N 0 1 299.418 2.652 20 30 CFEDMN Cc1nc([C@H]2CCCCN2CCCC(C)(C)C#N)n[nH]1 ZINC000366603176 263069632 /nfs/dbraw/zinc/06/96/32/263069632.db2.gz KRRGMKMZYCVGBC-CYBMUJFWSA-N 0 1 275.400 2.970 20 30 CFEDMN C[C@H]1c2cccn2CCN1CCCC1(C#N)CCOCC1 ZINC000281927769 263073159 /nfs/dbraw/zinc/07/31/59/263073159.db2.gz HSBITBIGUPAZOZ-HNNXBMFYSA-N 0 1 287.407 2.965 20 30 CFEDMN CCN1CCN(C(=O)c2ccc(C(C)(C)C#N)cc2)[C@@H](C)C1 ZINC000288463531 263104463 /nfs/dbraw/zinc/10/44/63/263104463.db2.gz OJSGENFPDKGXNX-AWEZNQCLSA-N 0 1 299.418 2.654 20 30 CFEDMN Cc1ccccc1N1CCN([C@H]2CC[C@H](C#N)C2)CC1 ZINC000293612774 263144493 /nfs/dbraw/zinc/14/44/93/263144493.db2.gz VRWBGGGLRBGQAX-HOTGVXAUSA-N 0 1 269.392 2.809 20 30 CFEDMN Cc1nc2sccn2c1CN(C)[C@H]1CC[C@H](C#N)C1 ZINC000293904149 263152158 /nfs/dbraw/zinc/15/21/58/263152158.db2.gz WGZRDERBMDGURF-RYUDHWBXSA-N 0 1 274.393 2.828 20 30 CFEDMN C=CCN(CCC#N)C(=O)[C@@H](c1ccccc1)N(CC)CC ZINC000293949178 263153065 /nfs/dbraw/zinc/15/30/65/263153065.db2.gz VMLJOQKLKQJUBE-QGZVFWFLSA-N 0 1 299.418 2.998 20 30 CFEDMN CC[C@@H]1CN(CC2(C#N)CC2)CCN1Cc1ccccc1 ZINC000353572564 263178365 /nfs/dbraw/zinc/17/83/65/263178365.db2.gz SJWAHSZPWQUCCC-QGZVFWFLSA-N 0 1 283.419 2.887 20 30 CFEDMN C[C@H](CCC#N)N(C)C[C@H]1OCCc2ccccc21 ZINC000298039443 263214074 /nfs/dbraw/zinc/21/40/74/263214074.db2.gz GOQDVOJGSUFNOA-CZUORRHYSA-N 0 1 258.365 2.924 20 30 CFEDMN C[C@@H](CCC#N)N(C)C[C@H]1OCCc2ccccc21 ZINC000298039445 263214458 /nfs/dbraw/zinc/21/44/58/263214458.db2.gz GOQDVOJGSUFNOA-XJKSGUPXSA-N 0 1 258.365 2.924 20 30 CFEDMN C#CCN(Cc1ccc(F)cc1)[C@H]1CC[C@H](C#N)C1 ZINC000298071080 263214724 /nfs/dbraw/zinc/21/47/24/263214724.db2.gz JLGSCBBIPYVKED-HOCLYGCPSA-N 0 1 256.324 2.953 20 30 CFEDMN CC[C@H](C(=O)N(CCC#N)c1ccc(C)cc1)N(C)C ZINC000298817319 263226522 /nfs/dbraw/zinc/22/65/22/263226522.db2.gz GGZYEGFULDGCRH-OAHLLOKOSA-N 0 1 273.380 2.582 20 30 CFEDMN C[C@H](CCC#N)N(C)Cc1ccc([S@@](C)=O)cc1 ZINC000299355509 263240493 /nfs/dbraw/zinc/24/04/93/263240493.db2.gz RBOZZUKVQYGBJB-KZULUSFZSA-N 0 1 264.394 2.548 20 30 CFEDMN C#CCCCCC(=O)NCC[N@H+](C)Cc1ccc(F)cc1 ZINC000119958016 263278797 /nfs/dbraw/zinc/27/87/97/263278797.db2.gz KLLDFRFELDATDY-UHFFFAOYSA-N 0 1 290.382 2.567 20 30 CFEDMN C#CCCCCC(=O)NCCN(C)Cc1ccc(F)cc1 ZINC000119958016 263278799 /nfs/dbraw/zinc/27/87/99/263278799.db2.gz KLLDFRFELDATDY-UHFFFAOYSA-N 0 1 290.382 2.567 20 30 CFEDMN C=CCN(C)[C@H](C)C(=O)N(CC)Cc1ccccc1 ZINC000121574464 263296812 /nfs/dbraw/zinc/29/68/12/263296812.db2.gz RSQRVSNWVXGWKC-CQSZACIVSA-N 0 1 260.381 2.541 20 30 CFEDMN C=CC[C@@H](CO)CNc1ccnc2cc(F)ccc21 ZINC000340889242 263311914 /nfs/dbraw/zinc/31/19/14/263311914.db2.gz FGCCALHYBBLPAT-LLVKDONJSA-N 0 1 260.312 2.970 20 30 CFEDMN COCC1(C#N)CCN(CCO[C@@H]2CCCC[C@@H]2C)CC1 ZINC000341978602 263370294 /nfs/dbraw/zinc/37/02/94/263370294.db2.gz AOLSIWHFAYMGMU-JKSUJKDBSA-N 0 1 294.439 2.834 20 30 CFEDMN COCC1(C#N)CCN(Cc2ccc3ccccc3n2)CC1 ZINC000341998539 263373536 /nfs/dbraw/zinc/37/35/36/263373536.db2.gz VADVENNCNGPXOV-UHFFFAOYSA-N 0 1 295.386 2.987 20 30 CFEDMN C#Cc1ccc(NC(=O)N2CCC(c3cnc[nH]3)CC2)cc1 ZINC000934936228 649858565 /nfs/dbraw/zinc/85/85/65/649858565.db2.gz YPEQDSXWNCMHTH-UHFFFAOYSA-N 0 1 294.358 2.803 20 30 CFEDMN CCn1nc(C)c(NC(=O)c2ncc(C)cc2O)c1C ZINC000331216413 264164132 /nfs/dbraw/zinc/16/41/32/264164132.db2.gz VWONDJVZHMWUBT-UHFFFAOYSA-N 0 1 274.324 2.565 20 30 CFEDMN CCCCC1CCC(NC(=O)N(C)Cc2nnc[nH]2)CC1 ZINC000331350804 264206638 /nfs/dbraw/zinc/20/66/38/264206638.db2.gz NYKZQGWNDUCFNF-UHFFFAOYSA-N 0 1 293.415 2.900 20 30 CFEDMN C=C(C)[C@H]1OCC[C@H]1CNC(=O)c1c(C)n[nH]c1C(C)C ZINC000334087673 264231090 /nfs/dbraw/zinc/23/10/90/264231090.db2.gz RFZMMDXYCFWHJJ-SWLSCSKDSA-N 0 1 291.395 2.553 20 30 CFEDMN C=CCC1(C(=O)Nc2ccc(F)c(F)c2O)CCOCC1 ZINC000424896162 264369967 /nfs/dbraw/zinc/36/99/67/264369967.db2.gz QLHQGACYJZKQCV-UHFFFAOYSA-N 0 1 297.301 2.982 20 30 CFEDMN C=CC[C@@H](CO)CN[C@@H](C)c1nc(C(F)(F)F)cs1 ZINC000343849653 265049299 /nfs/dbraw/zinc/04/92/99/265049299.db2.gz PQYOWHABUUKFQX-DTWKUNHWSA-N 0 1 294.342 2.997 20 30 CFEDMN C=CC[C@H](C)N[C@@H](C)c1ncc(C(=O)OC)s1 ZINC000314645046 265173811 /nfs/dbraw/zinc/17/38/11/265173811.db2.gz ALJAGRWFGVHTNU-IUCAKERBSA-N 0 1 254.355 2.545 20 30 CFEDMN N#Cc1csc(CNCc2ccc3c(c2)OCCO3)c1 ZINC000093492112 265181257 /nfs/dbraw/zinc/18/12/57/265181257.db2.gz ZEEJHYGEDCZJKA-UHFFFAOYSA-N 0 1 286.356 2.681 20 30 CFEDMN C=CC[NH+]1CCC(N[C@H](C)c2cc(C)ccn2)CC1 ZINC000353504136 266039455 /nfs/dbraw/zinc/03/94/55/266039455.db2.gz QDTFOAUNVWOMQT-CQSZACIVSA-N 0 1 259.397 2.691 20 30 CFEDMN C[C@H](C(=O)N1[C@H](C)CCC[C@@H]1C)N1CCC(C)(C#N)CC1 ZINC000356460270 266118799 /nfs/dbraw/zinc/11/87/99/266118799.db2.gz RLCCYBKPCLRIQR-QLFBSQMISA-N 0 1 291.439 2.790 20 30 CFEDMN COCCOc1cccc(CN2CCC(C)(C#N)CC2)c1 ZINC000356923719 266213000 /nfs/dbraw/zinc/21/30/00/266213000.db2.gz WYVDNVZFUQNCRC-UHFFFAOYSA-N 0 1 288.391 2.837 20 30 CFEDMN CC[C@@H]1CN(CCOc2cccc(C#N)c2)C[C@H](CC)O1 ZINC000398504853 266379167 /nfs/dbraw/zinc/37/91/67/266379167.db2.gz DWSPFRJSQRAWKW-IYBDPMFKSA-N 0 1 288.391 2.826 20 30 CFEDMN CCCN(Cc1ccc(C#N)cc1)Cc1cnccn1 ZINC000519812302 267015434 /nfs/dbraw/zinc/01/54/34/267015434.db2.gz RIDFFKJFJMJQSD-UHFFFAOYSA-N 0 1 266.348 2.760 20 30 CFEDMN C=CCCc1csc([C@H]2CN3CCC[C@H]3CO2)n1 ZINC000362719254 267038357 /nfs/dbraw/zinc/03/83/57/267038357.db2.gz HVSYLZWOXAUYHF-QWHCGFSZSA-N 0 1 264.394 2.797 20 30 CFEDMN C=C(Br)CN1CCC[C@H](c2cc(C)n[nH]2)C1 ZINC000368663137 267196012 /nfs/dbraw/zinc/19/60/12/267196012.db2.gz NAEXELCBXWHXGX-NSHDSACASA-N 0 1 284.201 2.806 20 30 CFEDMN C=C(Cl)CN[C@@H](C)[C@@H]1CN(Cc2ccccc2)CCO1 ZINC000368466150 267175296 /nfs/dbraw/zinc/17/52/96/267175296.db2.gz KPGNCWZFHMWLMI-HOCLYGCPSA-N 0 1 294.826 2.618 20 30 CFEDMN C=CCNC(=O)CN1C[C@H]2CCCC[C@]21c1ccccc1 ZINC000368549467 267183576 /nfs/dbraw/zinc/18/35/76/267183576.db2.gz PSEAQEMHEMCZFF-AEFFLSMTSA-N 0 1 284.403 2.690 20 30 CFEDMN Cc1cccc(-c2cncc(C(=O)NC3=NO[C@@H](C)C3)c2)c1 ZINC000370314511 267308667 /nfs/dbraw/zinc/30/86/67/267308667.db2.gz FXAKAFRRBHQASJ-LBPRGKRZSA-N 0 1 295.342 2.909 20 30 CFEDMN C[C@H](Cc1ccccc1[N+](=O)[O-])NCC1(C#N)CCC1 ZINC000418140076 267362566 /nfs/dbraw/zinc/36/25/66/267362566.db2.gz INQOUEMEHYGCBV-GFCCVEGCSA-N 0 1 273.336 2.809 20 30 CFEDMN N#CC1(CNCc2ccc(-n3ccnc3)cc2)CCC1 ZINC000418144909 267366561 /nfs/dbraw/zinc/36/65/61/267366561.db2.gz VQPCDDNJQUIMHX-UHFFFAOYSA-N 0 1 266.348 2.656 20 30 CFEDMN C#CCOc1ccc(CNCc2cnc3n2CCCC3)cc1 ZINC000376729781 268012486 /nfs/dbraw/zinc/01/24/86/268012486.db2.gz SSMJEIZAIMUZSY-UHFFFAOYSA-N 0 1 295.386 2.521 20 30 CFEDMN CCCCCCCCCN(C)C(=O)C[C@@H]1COCCN1 ZINC000377143476 268050474 /nfs/dbraw/zinc/05/04/74/268050474.db2.gz XRWFRBXZXQRPGO-OAHLLOKOSA-N 0 1 284.444 2.574 20 30 CFEDMN CCCCCCCCCN(C)C(=O)C[C@H]1COCCN1 ZINC000377143475 268050749 /nfs/dbraw/zinc/05/07/49/268050749.db2.gz XRWFRBXZXQRPGO-HNNXBMFYSA-N 0 1 284.444 2.574 20 30 CFEDMN CC(C)(CCC#N)CNC(=O)c1cccc(-c2nnc[nH]2)c1 ZINC000377172081 268052280 /nfs/dbraw/zinc/05/22/80/268052280.db2.gz OVWFGFJPOODEHF-UHFFFAOYSA-N 0 1 297.362 2.531 20 30 CFEDMN N#Cc1ccc(CNC[C@H](n2cccn2)C(F)(F)F)cc1 ZINC000527742529 268233952 /nfs/dbraw/zinc/23/39/52/268233952.db2.gz KVIGXHUBBSWVFJ-ZDUSSCGKSA-N 0 1 294.280 2.648 20 30 CFEDMN CO[C@H]1CCN(CC#Cc2ccc(F)cc2)[C@H](C)C1 ZINC000281691251 274080027 /nfs/dbraw/zinc/08/00/27/274080027.db2.gz NALSYKHAXPOLNM-CJNGLKHVSA-N 0 1 261.340 2.677 20 30 CFEDMN CSC[C@@H]1CCCN1Cc1cnc2ccc(C#N)cn12 ZINC000093760976 274177742 /nfs/dbraw/zinc/17/77/42/274177742.db2.gz USYQLGNEXSLKJZ-ZDUSSCGKSA-N 0 1 286.404 2.533 20 30 CFEDMN C[C@@H](NCc1cnc2n1CCCC2)c1ccc(C#N)cc1 ZINC000367368646 274253243 /nfs/dbraw/zinc/25/32/43/274253243.db2.gz VOVPHFPRKDGGFS-CYBMUJFWSA-N 0 1 280.375 2.942 20 30 CFEDMN Clc1ccc(C#CCN2CCC3(CC2)OCCO3)cc1 ZINC000177015076 274880741 /nfs/dbraw/zinc/88/07/41/274880741.db2.gz DNYBJEGGKPWOOZ-UHFFFAOYSA-N 0 1 291.778 2.530 20 30 CFEDMN COCCCN(Cc1ccncc1)Cc1ccc(C#N)cc1 ZINC000289452859 277205910 /nfs/dbraw/zinc/20/59/10/277205910.db2.gz NLNSTOIOJSZFEI-UHFFFAOYSA-N 0 1 295.386 2.992 20 30 CFEDMN Cc1c(C#N)cccc1NC(=O)[C@@H]1CCCc2cn[nH]c21 ZINC000372335584 280202895 /nfs/dbraw/zinc/20/28/95/280202895.db2.gz YJDMNLMAOSMMJK-CYBMUJFWSA-N 0 1 280.331 2.648 20 30 CFEDMN Cc1ccccc1NC(=O)c1ccc(C#N)c(O)c1 ZINC000188208265 280860631 /nfs/dbraw/zinc/86/06/31/280860631.db2.gz MUCMWMYPILOPJQ-UHFFFAOYSA-N 0 1 252.273 2.825 20 30 CFEDMN CC(C)(C)C1CCN(CC(=O)N[C@](C)(C#N)C2CC2)CC1 ZINC000172032687 335090226 /nfs/dbraw/zinc/09/02/26/335090226.db2.gz YNVGKBQWDHLCKS-QGZVFWFLSA-N 0 1 291.439 2.553 20 30 CFEDMN COc1cccc([C@H](C)NCc2ccc(C#N)cn2)c1 ZINC000554365649 281890183 /nfs/dbraw/zinc/89/01/83/281890183.db2.gz PWPZRJDDZBMJFT-LBPRGKRZSA-N 0 1 267.332 2.813 20 30 CFEDMN COc1cccc([C@@H](C)NCc2ccc(C#N)cn2)c1 ZINC000554365648 281890596 /nfs/dbraw/zinc/89/05/96/281890596.db2.gz PWPZRJDDZBMJFT-GFCCVEGCSA-N 0 1 267.332 2.813 20 30 CFEDMN N#Cc1cnn2cc(CNCc3cccc(Cl)c3)cnc12 ZINC000559273233 282004617 /nfs/dbraw/zinc/00/46/17/282004617.db2.gz KIHZZQMMBLQCDP-UHFFFAOYSA-N 0 1 297.749 2.544 20 30 CFEDMN CCOc1ccc2nc(Sc3cc(C#N)ncn3)[nH]c2c1 ZINC000314892946 290018571 /nfs/dbraw/zinc/01/85/71/290018571.db2.gz CJZYEWXMFYGUMF-UHFFFAOYSA-N 0 1 297.343 2.774 20 30 CFEDMN CC(C)n1cc(C#N)c(=NC(=O)[C@H]2CC[C@H](C)CC2)[nH]1 ZINC000565046548 290262770 /nfs/dbraw/zinc/26/27/70/290262770.db2.gz KRBDNKLEBFMKDH-HAQNSBGRSA-N 0 1 274.368 2.522 20 30 CFEDMN Cc1ccc(C[N@@H+](C)CCOCc2ccc(C#N)cc2)cn1 ZINC000565449506 290302429 /nfs/dbraw/zinc/30/24/29/290302429.db2.gz HGSFNWGFBKWUEP-UHFFFAOYSA-N 0 1 295.386 2.910 20 30 CFEDMN Cc1ccc(CN(C)CCOCc2ccc(C#N)cc2)cn1 ZINC000565449506 290302431 /nfs/dbraw/zinc/30/24/31/290302431.db2.gz HGSFNWGFBKWUEP-UHFFFAOYSA-N 0 1 295.386 2.910 20 30 CFEDMN CC(=Cc1cccc(C)c1)c1nc(C)c(C#N)c(=O)[nH]1 ZINC000566409474 290379661 /nfs/dbraw/zinc/37/96/61/290379661.db2.gz BKSLVJHJGZHSEU-DHZHZOJOSA-N 0 1 265.316 2.819 20 30 CFEDMN CC[C@@H](CC#N)NC(=O)[C@H](CC)N(C)Cc1ccccc1 ZINC000339352629 328008514 /nfs/dbraw/zinc/00/85/14/328008514.db2.gz PKMNLQXEBFVYEV-HOTGVXAUSA-N 0 1 287.407 2.705 20 30 CFEDMN C=CCCC[C@H](C)[N@H+]1CCC[C@](COC)(C(=O)[O-])C1 ZINC000563290410 328009733 /nfs/dbraw/zinc/00/97/33/328009733.db2.gz UKXCLKDNXHHZPB-ZFWWWQNUSA-N 0 1 269.385 2.544 20 30 CFEDMN Cc1cc(C(C#N)C(=O)c2ccc(C3CC3)cn2)nc(C)n1 ZINC000531782913 328033596 /nfs/dbraw/zinc/03/35/96/328033596.db2.gz JUEBAOLWUKLENQ-CQSZACIVSA-N 0 1 292.342 2.856 20 30 CFEDMN C=CCOc1cccc(C[N@@H+]2CCC[C@H](CC(=O)[O-])C2)c1 ZINC000563396544 328061684 /nfs/dbraw/zinc/06/16/84/328061684.db2.gz CLMDBSIQYVUFMW-OAHLLOKOSA-N 0 1 289.375 2.938 20 30 CFEDMN C=CCCCCN1CCN([C@H](C)C(F)(F)F)CC1 ZINC000571135710 328087878 /nfs/dbraw/zinc/08/78/78/328087878.db2.gz AAYQMEPFIHDESJ-GFCCVEGCSA-N 0 1 264.335 2.911 20 30 CFEDMN C[C@@H](CCC#N)N1Cc2ccc(O)cc2C2(CC2)C1 ZINC000411745061 328098555 /nfs/dbraw/zinc/09/85/55/328098555.db2.gz NSQDPMMYRPAMBN-LBPRGKRZSA-N 0 1 256.349 2.932 20 30 CFEDMN CN1CC[C@@H](NCCC#N)[C@H]1c1ccc(Cl)cc1 ZINC000411747419 328098811 /nfs/dbraw/zinc/09/88/11/328098811.db2.gz KWMGOLKFKITNSR-ZIAGYGMSSA-N 0 1 263.772 2.588 20 30 CFEDMN O=C1CCCN1[C@H]1CCCN(CC#Cc2ccccc2)CC1 ZINC000412054147 328101503 /nfs/dbraw/zinc/10/15/03/328101503.db2.gz HNWCXKCLUOAKEW-SFHVURJKSA-N 0 1 296.414 2.515 20 30 CFEDMN N#C[C@H]1CC[C@H](N2CCN(c3ccccc3)CC2)C1 ZINC000260581933 328131247 /nfs/dbraw/zinc/13/12/47/328131247.db2.gz YZCVMZQUEOYGJW-HOCLYGCPSA-N 0 1 255.365 2.501 20 30 CFEDMN CCCCCCCCOCC(=O)NCc1cn[nH]c1C ZINC000265924510 328167336 /nfs/dbraw/zinc/16/73/36/328167336.db2.gz DEJNGGBHRKQCSF-UHFFFAOYSA-N 0 1 281.400 2.711 20 30 CFEDMN COC(=O)c1cccc(CN2CCC(C)(C#N)CC2)c1 ZINC000272509559 328200149 /nfs/dbraw/zinc/20/01/49/328200149.db2.gz FYRAOHZXIAXEOG-UHFFFAOYSA-N 0 1 272.348 2.599 20 30 CFEDMN CCN(C)[C@H](C(=O)N1CCC(C)(C#N)CC1)c1ccccc1 ZINC000272506357 328200003 /nfs/dbraw/zinc/20/00/03/328200003.db2.gz IFXGQXFZTUAFND-INIZCTEOSA-N 0 1 299.418 2.832 20 30 CFEDMN CC(C)C[C@H](N)c1noc([C@]2(C#N)CC23CCCC3)n1 ZINC000414621764 328204684 /nfs/dbraw/zinc/20/46/84/328204684.db2.gz MCQWFFVPARSRAE-XHDPSFHLSA-N 0 1 274.368 2.841 20 30 CFEDMN CCN(CC#N)C(=O)c1cn[nH]c1-c1ccc(Cl)s1 ZINC000275190194 328214368 /nfs/dbraw/zinc/21/43/68/328214368.db2.gz YLDABZMODNAOBQ-UHFFFAOYSA-N 0 1 294.767 2.777 20 30 CFEDMN CN(Cc1cnn(-c2ccccc2)c1)[C@@H]1CC[C@@H](C#N)C1 ZINC000278529147 328226582 /nfs/dbraw/zinc/22/65/82/328226582.db2.gz DVNNRWDGSMCUEC-RHSMWYFYSA-N 0 1 280.375 2.996 20 30 CFEDMN COc1cc(C[N@@H+](C)[C@H]2CC[C@H](C#N)C2)cc(OC)c1 ZINC000292942043 328274174 /nfs/dbraw/zinc/27/41/74/328274174.db2.gz BADJVCODOKNODM-JSGCOSHPSA-N 0 1 274.364 2.828 20 30 CFEDMN COc1ccc(-c2nccc3[nH]cc(C#N)c32)c(CO)c1 ZINC001243247363 782093889 /nfs/dbraw/zinc/09/38/89/782093889.db2.gz IZHPQHQBUKWQCP-UHFFFAOYSA-N 0 1 279.299 2.602 20 30 CFEDMN C=C(C)CNCc1cc([N+](=O)[O-])ccc1OCC ZINC000119622063 328307548 /nfs/dbraw/zinc/30/75/48/328307548.db2.gz ZGECYTJICKBVSH-UHFFFAOYSA-N 0 1 250.298 2.659 20 30 CFEDMN N#CCSCCCN1CCN(Cc2ccsc2)CC1 ZINC000534528571 328305568 /nfs/dbraw/zinc/30/55/68/328305568.db2.gz NWFGIKBJIROJSY-UHFFFAOYSA-N 0 1 295.477 2.513 20 30 CFEDMN C[C@@H](N[C@@H]1CCN(C(C)(C)C)C1=O)c1cccc(C#N)c1 ZINC000575741376 322727473 /nfs/dbraw/zinc/72/74/73/322727473.db2.gz YKOLZUXWSGYAFL-IUODEOHRSA-N 0 1 285.391 2.608 20 30 CFEDMN CC(C)Cn1ccnc1CN[C@@H]1CCC[C@@H](C#N)C1 ZINC000185714382 329330354 /nfs/dbraw/zinc/33/03/54/329330354.db2.gz RVCJSDQKDAHULU-ZIAGYGMSSA-N 0 1 260.385 2.711 20 30 CFEDMN N#Cc1ccc(C(=O)N2CCCc3cc(F)ccc32)cc1O ZINC000188330697 324012891 /nfs/dbraw/zinc/01/28/91/324012891.db2.gz XHFFKAQRDQIFGZ-UHFFFAOYSA-N 0 1 296.301 2.996 20 30 CFEDMN C[C@@H](Cc1ccsc1)NCc1nc(C#N)cs1 ZINC000386105379 324473693 /nfs/dbraw/zinc/47/36/93/324473693.db2.gz JAMWHPOQRCAJLT-VIFPVBQESA-N 0 1 263.391 2.797 20 30 CFEDMN Cc1cc(CN(C)Cc2cc(C#N)n(C)c2)ccc1F ZINC000580782112 325063899 /nfs/dbraw/zinc/06/38/99/325063899.db2.gz VJVVKSMHSFHVMX-UHFFFAOYSA-N 0 1 271.339 2.976 20 30 CFEDMN C[C@H](CNC[C@@H](C#N)CCC#N)N(C)c1ccccc1 ZINC000563805221 328519695 /nfs/dbraw/zinc/51/96/95/328519695.db2.gz DCYUTKUOYCRGOW-HUUCEWRRSA-N 0 1 270.380 2.544 20 30 CFEDMN N#Cc1ccc(CN2CCC3(CCC3)C2)c([N+](=O)[O-])c1 ZINC000583148841 325264186 /nfs/dbraw/zinc/26/41/86/325264186.db2.gz QZCDBWLGUOLLMZ-UHFFFAOYSA-N 0 1 271.320 2.842 20 30 CFEDMN CCc1cnc(C=C(C)c2nc(C)c(C#N)c(=O)[nH]2)s1 ZINC000583850180 325314681 /nfs/dbraw/zinc/31/46/81/325314681.db2.gz ITWPOBRZXMDXOL-YVMONPNESA-N 0 1 286.360 2.529 20 30 CFEDMN CN(Cc1ccc(C#N)cn1)[C@H](CCO)c1ccccc1 ZINC000584068204 325328897 /nfs/dbraw/zinc/32/88/97/325328897.db2.gz ZRVTVYSUNUNVNV-QGZVFWFLSA-N 0 1 281.359 2.509 20 30 CFEDMN N#Cc1cccc(CC(=O)Nc2nc3ccc(F)cc3[nH]2)c1 ZINC000584089274 325329699 /nfs/dbraw/zinc/32/96/99/325329699.db2.gz IEUVAMPRZLDXLO-UHFFFAOYSA-N 0 1 294.289 2.755 20 30 CFEDMN CC#CCCCC(=O)NC[C@H](c1cccs1)N(C)C ZINC000184904347 328541081 /nfs/dbraw/zinc/54/10/81/328541081.db2.gz OFFXYTGENRCHEH-CYBMUJFWSA-N 0 1 278.421 2.661 20 30 CFEDMN CC#CCCCC(=O)NC[C@@H](c1cccs1)N(C)C ZINC000184904326 328541100 /nfs/dbraw/zinc/54/11/00/328541100.db2.gz OFFXYTGENRCHEH-ZDUSSCGKSA-N 0 1 278.421 2.661 20 30 CFEDMN C=CCCN(CCC(=O)OC)Cc1cccc(F)c1F ZINC000174487356 327019462 /nfs/dbraw/zinc/01/94/62/327019462.db2.gz IIRDOKCWDHBJOX-UHFFFAOYSA-N 0 1 283.318 2.906 20 30 CFEDMN N#CCC[C@H](C#N)CN[C@@H]1[C@@H]2CCc3ccccc3[C@@H]21 ZINC000564444216 327074769 /nfs/dbraw/zinc/07/47/69/327074769.db2.gz QPHUGCJNRZUFCR-VDNDLQMASA-N 0 1 265.360 2.748 20 30 CFEDMN CC#CCN(C)CCOc1ccc(F)cc1Cl ZINC000559466761 327246978 /nfs/dbraw/zinc/24/69/78/327246978.db2.gz KKNHGKXMSKRVFU-UHFFFAOYSA-N 0 1 255.720 2.813 20 30 CFEDMN CC(C)[C@@H](/N=C/c1cc(Cl)cc(Cl)c1O)C(N)=O ZINC000107098949 327247824 /nfs/dbraw/zinc/24/78/24/327247824.db2.gz IKBNDCWVMCHXQI-WYWPZMPRSA-N 0 1 289.162 2.628 20 30 CFEDMN C=C(C)CN(CC)[C@H](C)C(=O)Nc1nc(C)c(C)s1 ZINC000152517971 327278319 /nfs/dbraw/zinc/27/83/19/327278319.db2.gz UJTRYFYZNATEQD-LLVKDONJSA-N 0 1 281.425 2.985 20 30 CFEDMN N#C[C@@H]1CC[C@@H](NCc2ccn(Cc3ccccc3)n2)C1 ZINC000560270685 327295077 /nfs/dbraw/zinc/29/50/77/327295077.db2.gz QBAVWUUQAWADAT-HZPDHXFCSA-N 0 1 280.375 2.713 20 30 CFEDMN C=C(C)C[N@H+](CC)[C@@H](C)C(=O)NCCc1ccccc1 ZINC000155133067 327390491 /nfs/dbraw/zinc/39/04/91/327390491.db2.gz XWXHLOYLFLASSU-HNNXBMFYSA-N 0 1 274.408 2.632 20 30 CFEDMN C=C(C)CN(CC)[C@@H](C)C(=O)NCCc1ccccc1 ZINC000155133067 327390492 /nfs/dbraw/zinc/39/04/92/327390492.db2.gz XWXHLOYLFLASSU-HNNXBMFYSA-N 0 1 274.408 2.632 20 30 CFEDMN CCOc1ccc([C@@H]2C[C@H]2NC[C@@H](C#N)CCC#N)cc1 ZINC000564524600 327437605 /nfs/dbraw/zinc/43/76/05/327437605.db2.gz YYYVQABKQWCIIG-XOKHGSTOSA-N 0 1 283.375 2.974 20 30 CFEDMN C=CCCCCN1CCN(c2snc(C)c2C#N)CC1 ZINC000570593787 327602876 /nfs/dbraw/zinc/60/28/76/327602876.db2.gz SPNCBRJHWVQATD-UHFFFAOYSA-N 0 1 290.436 2.802 20 30 CFEDMN C[C@@H](C(=O)NC1(C#N)CCCCC1)N1CCC2(CCC2)C1 ZINC000122916686 329006879 /nfs/dbraw/zinc/00/68/79/329006879.db2.gz XSRQNRWIRLLMCQ-AWEZNQCLSA-N 0 1 289.423 2.594 20 30 CFEDMN C#Cc1ccc(C[N@@H+]2CCC[C@H](c3ccn[nH]3)C2)cc1 ZINC000377657986 329023206 /nfs/dbraw/zinc/02/32/06/329023206.db2.gz IXWRVDTWJUVNGC-INIZCTEOSA-N 0 1 265.360 2.771 20 30 CFEDMN C=C[C@H](CC(=O)N[C@@H]1CCc2nc[nH]c2C1)c1ccccc1 ZINC000378319978 329045857 /nfs/dbraw/zinc/04/58/57/329045857.db2.gz XDPAURYQIJHVOW-UKRRQHHQSA-N 0 1 295.386 2.743 20 30 CFEDMN N#CC[C@@H]1CC[C@H](NC(=O)c2cc3[nH]cnc3cc2F)C1 ZINC000582544777 329104773 /nfs/dbraw/zinc/10/47/73/329104773.db2.gz PQWHDIHRFAYTNR-UWVGGRQHSA-N 0 1 286.310 2.514 20 30 CFEDMN C=CCN(Cc1ccc(Cl)s1)C(=O)Cc1ccn[nH]1 ZINC000174430433 329158755 /nfs/dbraw/zinc/15/87/55/329158755.db2.gz LXQAOGUQTQRNKJ-UHFFFAOYSA-N 0 1 295.795 2.882 20 30 CFEDMN C=CCNC(=O)CN[C@H](C)c1ccc(-c2ccncc2)cc1 ZINC000180900071 329223926 /nfs/dbraw/zinc/22/39/26/329223926.db2.gz OMUNFPJTIZUHMP-CQSZACIVSA-N 0 1 295.386 2.701 20 30 CFEDMN C=C(C)CN(C)[C@@H](C)C(=O)N[C@H](C)c1ccc(F)cc1 ZINC000181283555 329229559 /nfs/dbraw/zinc/22/95/59/329229559.db2.gz IHSGWESMFOGQNM-OLZOCXBDSA-N 0 1 278.371 2.899 20 30 CFEDMN C=C(C)CN(C)CC(=O)N(C)[C@@H]1CCCC[C@H]1C ZINC000181292932 329230002 /nfs/dbraw/zinc/23/00/02/329230002.db2.gz GMOPNOIBSBMQML-ZIAGYGMSSA-N 0 1 252.402 2.531 20 30 CFEDMN C=C(C)CN(C)[C@H](C)C(=O)N[C@@H]1CCCC[C@H]1C ZINC000181302667 329230651 /nfs/dbraw/zinc/23/06/51/329230651.db2.gz XTTWCNWKLGFBEU-MGPQQGTHSA-N 0 1 252.402 2.578 20 30 CFEDMN C=C(C)CN(C)[C@H](C)C(=O)NCCc1c[nH]c2ccccc12 ZINC000181309401 329230778 /nfs/dbraw/zinc/23/07/78/329230778.db2.gz WPMYEDHDHXAYJT-CQSZACIVSA-N 0 1 299.418 2.723 20 30 CFEDMN C=C(C)CN(C)[C@@H](C)C(=O)N1CCc2sccc2C1 ZINC000181325100 329231480 /nfs/dbraw/zinc/23/14/80/329231480.db2.gz NVVHWCUEEJDWFU-LBPRGKRZSA-N 0 1 278.421 2.529 20 30 CFEDMN CC(C)(C#N)CCCN1CCCC[C@H]1c1nnc[nH]1 ZINC000182681744 329243738 /nfs/dbraw/zinc/24/37/38/329243738.db2.gz SMRDGJARPWEFLY-LBPRGKRZSA-N 0 1 261.373 2.662 20 30 CFEDMN CC[C@@H](CC#N)NC(=O)CCc1nc2cccc(C)c2[nH]1 ZINC000183943273 329254959 /nfs/dbraw/zinc/25/49/59/329254959.db2.gz FJFCJVFTXWBXGT-LBPRGKRZSA-N 0 1 284.363 2.612 20 30 CFEDMN CN(C)c1cccc(CN(C)Cc2ccc(C#N)cn2)c1 ZINC000584387381 329317241 /nfs/dbraw/zinc/31/72/41/329317241.db2.gz VOCKMQVEYYVVAT-UHFFFAOYSA-N 0 1 280.375 2.651 20 30 CFEDMN C=C(C)CN(CC)C(=O)C[N@@H+]1CC[C@@H](C)[C@H]1CC ZINC000185646087 329328222 /nfs/dbraw/zinc/32/82/22/329328222.db2.gz VEYWVEVXMYOPLN-ZIAGYGMSSA-N 0 1 252.402 2.531 20 30 CFEDMN COc1ccc(CN2CCC(CC#N)CC2)cc1F ZINC000397408058 329353353 /nfs/dbraw/zinc/35/33/53/329353353.db2.gz WQBRUACESJVPGZ-UHFFFAOYSA-N 0 1 262.328 2.960 20 30 CFEDMN C=CCOc1cccc(C[N@H+]2C[C@H](C)C[C@H](C(=O)[O-])C2)c1 ZINC000263077839 330042448 /nfs/dbraw/zinc/04/24/48/330042448.db2.gz RARDBJJEANQDEU-HIFRSBDPSA-N 0 1 289.375 2.794 20 30 CFEDMN C=CCCC(=O)NC[C@@H](c1ccco1)N1CCCCC1 ZINC000263647132 330060107 /nfs/dbraw/zinc/06/01/07/330060107.db2.gz FTYZMOBYRBNRST-AWEZNQCLSA-N 0 1 276.380 2.889 20 30 CFEDMN C=CCN(CCc1ccco1)Cc1ccc(C(=O)OC)[nH]1 ZINC000272749928 330093132 /nfs/dbraw/zinc/09/31/32/330093132.db2.gz NLFYDCQNWNKAIR-UHFFFAOYSA-N 0 1 288.347 2.625 20 30 CFEDMN C=CCC(CC=C)C(=O)N1CCNC[C@@H]1c1ccccc1 ZINC000423994177 330217770 /nfs/dbraw/zinc/21/77/70/330217770.db2.gz IIWJLQULIBIIKG-QGZVFWFLSA-N 0 1 284.403 2.928 20 30 CFEDMN C=C[C@H](CO)N[C@@H](C)c1ccc(OC)cc1Cl ZINC000424350378 330345391 /nfs/dbraw/zinc/34/53/91/330345391.db2.gz OHVYSDXHXVJLTR-VHSXEESVSA-N 0 1 255.745 2.546 20 30 CFEDMN C=CCOc1ccc(CNCc2ccnc(OC)c2)cc1 ZINC000057395173 330374900 /nfs/dbraw/zinc/37/49/00/330374900.db2.gz VWYCSBHERZSTCE-UHFFFAOYSA-N 0 1 284.359 2.945 20 30 CFEDMN N#C[C@@H]1CC[C@@H](NCc2ccncc2OCC(F)F)C1 ZINC000442857003 330787494 /nfs/dbraw/zinc/78/74/94/330787494.db2.gz OZJJREGYSCUCMG-ZYHUDNBSSA-N 0 1 281.306 2.507 20 30 CFEDMN C=C[C@@H](CO)NCc1cnc(CCc2ccccc2)s1 ZINC000449330772 330915047 /nfs/dbraw/zinc/91/50/47/330915047.db2.gz VLKNRDINOVERNO-AWEZNQCLSA-N 0 1 288.416 2.565 20 30 CFEDMN C=CCn1c(SCC(=O)CC(C)(C)C2CC2)n[nH]c1=O ZINC000450873532 331004201 /nfs/dbraw/zinc/00/42/01/331004201.db2.gz PECGJGULYCGRJF-UHFFFAOYSA-N 0 1 295.408 2.657 20 30 CFEDMN C[C@H](c1ccccc1)[C@H](O)CN(C)CC(C)(C)C#N ZINC000451067179 331014644 /nfs/dbraw/zinc/01/46/44/331014644.db2.gz WOFWJKZTHGMIBN-UKRRQHHQSA-N 0 1 260.381 2.633 20 30 CFEDMN CCO[C@H]1CCN(CC#Cc2ccccc2)C[C@@H]1C ZINC000451523131 331032468 /nfs/dbraw/zinc/03/24/68/331032468.db2.gz CKVGSYJOUMZACM-RDJZCZTQSA-N 0 1 257.377 2.785 20 30 CFEDMN C=C[C@@H]1OCC[C@H]1NCc1oc(C(C)C)nc1C ZINC000451609961 331036738 /nfs/dbraw/zinc/03/67/38/331036738.db2.gz FBAGJLYJJZNBKV-NEPJUHHUSA-N 0 1 250.342 2.540 20 30 CFEDMN C=C[C@@H]1OCCC[C@H]1NCc1nc2ccc(F)cc2o1 ZINC000451678878 331038764 /nfs/dbraw/zinc/03/87/64/331038764.db2.gz XPZZYCIDPHJJKJ-YPMHNXCESA-N 0 1 276.311 2.790 20 30 CFEDMN C=C(C)CCNC(=O)[C@@H]1CCCN1Cc1ccccc1 ZINC000452725750 331074358 /nfs/dbraw/zinc/07/43/58/331074358.db2.gz SZOGOGNDONJARF-INIZCTEOSA-N 0 1 272.392 2.733 20 30 CFEDMN C=C[C@@H]1OCCC[C@H]1N[C@@H](C)c1csc(C)n1 ZINC000453367616 331123547 /nfs/dbraw/zinc/12/35/47/331123547.db2.gz UHZGBNFVZMSHNW-NDMJEZRESA-N 0 1 252.383 2.836 20 30 CFEDMN C=CCC1(NC(=O)CN(C)[C@@H]2CCSC2)CCCCC1 ZINC000456363754 331191065 /nfs/dbraw/zinc/19/10/65/331191065.db2.gz IRTQHNVRUXCINW-CQSZACIVSA-N 0 1 296.480 2.819 20 30 CFEDMN C=CCC(C)(C)C(=O)NC[C@@H](c1nc[nH]n1)c1ccccc1 ZINC000456689211 331198861 /nfs/dbraw/zinc/19/88/61/331198861.db2.gz JXLJMYPOXRTKNQ-CQSZACIVSA-N 0 1 298.390 2.655 20 30 CFEDMN C=CCOc1ccccc1CN1CC2(C1)CCCOC2 ZINC000459601545 331290234 /nfs/dbraw/zinc/29/02/34/331290234.db2.gz BZWXKEMYWCOLMH-UHFFFAOYSA-N 0 1 273.376 2.864 20 30 CFEDMN CC#CCCN1CCN(Cc2ccc(Cl)cc2)CC1 ZINC000462321366 331319519 /nfs/dbraw/zinc/31/95/19/331319519.db2.gz MSUZYCZDOCYAMM-UHFFFAOYSA-N 0 1 276.811 2.871 20 30 CFEDMN CC(C)[C@@](C)(C#N)NC(=O)CN1CC(C)(C)CC(C)(C)C1 ZINC000466944232 331408766 /nfs/dbraw/zinc/40/87/66/331408766.db2.gz MLLIJZGONSYLSK-QGZVFWFLSA-N 0 1 293.455 2.799 20 30 CFEDMN C#CCN1CCC(C(=O)O[C@@H](C)c2ccc(F)cc2)CC1 ZINC000490873936 332123699 /nfs/dbraw/zinc/12/36/99/332123699.db2.gz LHLSLJKTJGEGEN-ZDUSSCGKSA-N 0 1 289.350 2.775 20 30 CFEDMN C#CCN1CCC(C(=O)OCCCCC(F)(F)F)CC1 ZINC000491045649 332142672 /nfs/dbraw/zinc/14/26/72/332142672.db2.gz LZTFDBPZMVNZQB-UHFFFAOYSA-N 0 1 291.313 2.607 20 30 CFEDMN C#CCNC(=O)[C@@H](C)N1CC2(CCCC2)[C@@H]1c1ccccc1 ZINC000491266832 332177611 /nfs/dbraw/zinc/17/76/11/332177611.db2.gz QUGIJDPPNHTNHU-WBVHZDCISA-N 0 1 296.414 2.742 20 30 CFEDMN C#CCN(Cc1c[nH]nc1-c1ccc(C)o1)C1CC1 ZINC000491635392 332256463 /nfs/dbraw/zinc/25/64/63/332256463.db2.gz SIELSZHLADMPLP-UHFFFAOYSA-N 0 1 255.321 2.576 20 30 CFEDMN C#CC[N@@H+](Cc1ccc(OC[C@@H]2CCCO2)cc1)C1CC1 ZINC000491710011 332302060 /nfs/dbraw/zinc/30/20/60/332302060.db2.gz RRZACDFCAQMUFV-SFHVURJKSA-N 0 1 285.387 2.842 20 30 CFEDMN C#CCN(Cc1ccc(OC[C@@H]2CCCO2)cc1)C1CC1 ZINC000491710011 332302061 /nfs/dbraw/zinc/30/20/61/332302061.db2.gz RRZACDFCAQMUFV-SFHVURJKSA-N 0 1 285.387 2.842 20 30 CFEDMN C#C[C@@H](C)N(C)C(=O)[C@@H](c1ccccc1)N(CC)CC ZINC000491763803 332332662 /nfs/dbraw/zinc/33/26/62/332332662.db2.gz CCIQGHRNDNABSM-GDBMZVCRSA-N 0 1 272.392 2.550 20 30 CFEDMN C#C[C@@H](C)N(C)CCc1nc(-c2cccc(Cl)c2)no1 ZINC000491810808 332363313 /nfs/dbraw/zinc/36/33/13/332363313.db2.gz ANNUOTWIXQVCAZ-LLVKDONJSA-N 0 1 289.766 2.886 20 30 CFEDMN C[C@@H](NCC#Cc1ccccc1Cl)c1cn[nH]c1 ZINC000494670920 332482506 /nfs/dbraw/zinc/48/25/06/332482506.db2.gz AVRQBBNLNZKKLK-LLVKDONJSA-N 0 1 259.740 2.765 20 30 CFEDMN CC(C)(C)OC(=O)N1CCC[C@H]1CCCNCCC#N ZINC000496099984 332538667 /nfs/dbraw/zinc/53/86/67/332538667.db2.gz BQTDEISDOSGZGD-CYBMUJFWSA-N 0 1 281.400 2.669 20 30 CFEDMN C=C(Cl)CN[C@H](CNC(=O)OC(C)(C)C)C1CC1 ZINC000496693517 332556925 /nfs/dbraw/zinc/55/69/25/332556925.db2.gz INOXNUGENIPVSK-LLVKDONJSA-N 0 1 274.792 2.632 20 30 CFEDMN N#CCCC[N@@H+]1CCCC[C@H]1CNC(=O)c1ccccc1 ZINC000175166584 333016133 /nfs/dbraw/zinc/01/61/33/333016133.db2.gz DRBRIFAEAAMBNI-INIZCTEOSA-N 0 1 285.391 2.575 20 30 CFEDMN N#CCCCN1CCCC[C@H]1CNC(=O)c1ccccc1 ZINC000175166584 333016135 /nfs/dbraw/zinc/01/61/35/333016135.db2.gz DRBRIFAEAAMBNI-INIZCTEOSA-N 0 1 285.391 2.575 20 30 CFEDMN C[C@H](CC#N)N(C)CCCCC[N@H+](C)[C@@H](C)CC#N ZINC000177364886 333057973 /nfs/dbraw/zinc/05/79/73/333057973.db2.gz WRXYCIWAHHCFBD-GASCZTMLSA-N 0 1 264.417 2.625 20 30 CFEDMN CC[C@@H](C)C[N@@H+](CC)CC(=O)NC1(C#N)CCCCC1 ZINC000177860482 333064176 /nfs/dbraw/zinc/06/41/76/333064176.db2.gz FTSZBLWUSVPICD-CQSZACIVSA-N 0 1 279.428 2.697 20 30 CFEDMN C=CCCCN1CCN([C@H](C)C(F)(F)F)CC1 ZINC000178249123 333069910 /nfs/dbraw/zinc/06/99/10/333069910.db2.gz AZUHLNKUFKELDF-LLVKDONJSA-N 0 1 250.308 2.521 20 30 CFEDMN C[C@@H](CCC#N)[N@H+]1C[C@@H](c2cnn(C)c2)C(C)(C)C1 ZINC000516978771 333088764 /nfs/dbraw/zinc/08/87/64/333088764.db2.gz IRDBNJUTWUVVBU-JSGCOSHPSA-N 0 1 260.385 2.538 20 30 CFEDMN C[C@@H](NC1CC(C#N)(c2ccccc2)C1)c1cn[nH]c1 ZINC000219205974 333144269 /nfs/dbraw/zinc/14/42/69/333144269.db2.gz CSYMGGXQRDBYEI-UWTIGNOOSA-N 0 1 266.348 2.684 20 30 CFEDMN C[C@@H]1C[N@@H+](CCCCC#N)CCN1C(=O)OC(C)(C)C ZINC000189330383 333190607 /nfs/dbraw/zinc/19/06/07/333190607.db2.gz KLORNIKLDLYKCS-CYBMUJFWSA-N 0 1 281.400 2.621 20 30 CFEDMN C[C@@H]1CN(CCCCC#N)CCN1C(=O)OC(C)(C)C ZINC000189330383 333190608 /nfs/dbraw/zinc/19/06/08/333190608.db2.gz KLORNIKLDLYKCS-CYBMUJFWSA-N 0 1 281.400 2.621 20 30 CFEDMN C=CC[N@H+](CCOC)C[C@H](C)c1ccc(OC)cc1 ZINC000191758938 333224676 /nfs/dbraw/zinc/22/46/76/333224676.db2.gz MMKJCUUYRQLKIE-AWEZNQCLSA-N 0 1 263.381 2.933 20 30 CFEDMN C#CCN(C)Cc1ccc(OCc2ccccn2)cc1 ZINC000192238466 333233483 /nfs/dbraw/zinc/23/34/83/333233483.db2.gz QQRNRTXQIFBSRF-UHFFFAOYSA-N 0 1 266.344 2.726 20 30 CFEDMN C=CCCCCCN1CCN(C(=O)C(C)(C)C)CC1 ZINC000193297281 333247395 /nfs/dbraw/zinc/24/73/95/333247395.db2.gz JPSRPRLOIQJVTO-UHFFFAOYSA-N 0 1 266.429 2.923 20 30 CFEDMN COC(=O)c1ccc(CN2CCC(C)(C#N)CC2)cc1 ZINC000227353007 333281638 /nfs/dbraw/zinc/28/16/38/333281638.db2.gz ZVTIZTZNPYEMJK-UHFFFAOYSA-N 0 1 272.348 2.599 20 30 CFEDMN CC[C@H](CC#N)NCCC(=O)Nc1cc(F)cc(F)c1 ZINC000575999205 335140095 /nfs/dbraw/zinc/14/00/95/335140095.db2.gz BXAPKDVWHDXLDZ-GFCCVEGCSA-N 0 1 281.306 2.575 20 30 CFEDMN C=CCOc1ccc(CNCc2cccnc2OC)cc1 ZINC000037408084 333533001 /nfs/dbraw/zinc/53/30/01/333533001.db2.gz XCWRUOJKTUDUFC-UHFFFAOYSA-N 0 1 284.359 2.945 20 30 CFEDMN C=CCCO[C@@H](C)C(=O)N1CCN(CCC(C)(C)C)CC1 ZINC000126464056 333597849 /nfs/dbraw/zinc/59/78/49/333597849.db2.gz MBVZGAAEXTXKII-HNNXBMFYSA-N 0 1 296.455 2.548 20 30 CFEDMN CC(C)CCC[C@H](C)NC(=O)CN1CCC(CC#N)CC1 ZINC000543808930 333901372 /nfs/dbraw/zinc/90/13/72/333901372.db2.gz BEQHUVGMEXTIGQ-HNNXBMFYSA-N 0 1 293.455 2.943 20 30 CFEDMN Cn1cc(C(C)(C)NCC#Cc2ccccc2Cl)cn1 ZINC000546001437 334011528 /nfs/dbraw/zinc/01/15/28/334011528.db2.gz WVSDXMIVOKNXLO-UHFFFAOYSA-N 0 1 287.794 2.950 20 30 CFEDMN CCCN(CC(=O)N(CC)CCC#N)Cc1ccccc1 ZINC000076509869 334083223 /nfs/dbraw/zinc/08/32/23/334083223.db2.gz OUPWXYFBAGVPFQ-UHFFFAOYSA-N 0 1 287.407 2.661 20 30 CFEDMN CCN(C[C@@H](C)C#N)C(=O)CN(C)[C@@H](C)c1ccccc1 ZINC000076611426 334085367 /nfs/dbraw/zinc/08/53/67/334085367.db2.gz RIJGRXXHGLWBAM-GJZGRUSLSA-N 0 1 287.407 2.688 20 30 CFEDMN C[C@H](C(=O)N(C)C1(C#N)CCC(C)CC1)N1[C@H](C)C[C@@H]1C ZINC000547769165 334116110 /nfs/dbraw/zinc/11/61/10/334116110.db2.gz CERDJCKMKYXUNU-WCCAFZKYSA-N 0 1 291.439 2.788 20 30 CFEDMN CC[C@H](CC1CCCC1)C(=O)NC1(C#N)CCN(C)CC1 ZINC000576254671 335178362 /nfs/dbraw/zinc/17/83/62/335178362.db2.gz GHLIYDWBYNJAIC-OAHLLOKOSA-N 0 1 291.439 2.697 20 30 CFEDMN COc1cc(C)c(C[C@@H](C)NC[C@@H](C)C#N)cc1OC ZINC000548869909 334177621 /nfs/dbraw/zinc/17/76/21/334177621.db2.gz WHRLGBNUHKSVTL-WCQYABFASA-N 0 1 276.380 2.693 20 30 CFEDMN C[C@@H]1C[C@H](c2ccccc2)N(CC(=O)NC2(C#N)CCC2)C1 ZINC000552024656 334277947 /nfs/dbraw/zinc/27/79/47/334277947.db2.gz BZUIQJLDXJWNSI-GDBMZVCRSA-N 0 1 297.402 2.632 20 30 CFEDMN CC[C@H](CC#N)NCCC(=O)Nc1ccc(Cl)cc1 ZINC000572982258 334897752 /nfs/dbraw/zinc/89/77/52/334897752.db2.gz PVFMVOYLIFRKTH-GFCCVEGCSA-N 0 1 279.771 2.950 20 30 CFEDMN C[C@@H](NCc1ccc(CC#N)cc1)c1ccccn1 ZINC000343771087 335219283 /nfs/dbraw/zinc/21/92/83/335219283.db2.gz ZOCGCMYCKHBSLZ-CYBMUJFWSA-N 0 1 251.333 2.998 20 30 CFEDMN C=CCCC[N@H+](C)Cc1ccc(C(=O)[O-])cc1F ZINC000581672113 336126204 /nfs/dbraw/zinc/12/62/04/336126204.db2.gz UHXBZQPHZBZRCD-UHFFFAOYSA-N 0 1 251.301 2.922 20 30 CFEDMN CN1CCC(C#N)(NC(=O)c2ccc3sccc3c2)CC1 ZINC000386206879 336168109 /nfs/dbraw/zinc/16/81/09/336168109.db2.gz SNAFENIHNCVWAM-UHFFFAOYSA-N 0 1 299.399 2.619 20 30 CFEDMN C=CCC[N@@H+]1CC[C@H]1CN(C)C(=O)c1cc(F)ccc1C ZINC001085747974 782149147 /nfs/dbraw/zinc/14/91/47/782149147.db2.gz UZNLQPLCGVBMBP-HNNXBMFYSA-N 0 1 290.382 2.857 20 30 CFEDMN C[C@](O)(CNC(=O)[C@@H]1CCCN1C1CC1)C1CCCCC1 ZINC000330222104 534154986 /nfs/dbraw/zinc/15/49/86/534154986.db2.gz MEALZGQFAPGDKZ-RDJZCZTQSA-N 0 1 294.439 2.901 20 30 CFEDMN C=CCC[N@@H+]1CC[C@@H]1CN(C)C(=O)c1ccn(CC)c1C ZINC001085781271 782160450 /nfs/dbraw/zinc/16/04/50/782160450.db2.gz QQFYAJKUZANJFK-OAHLLOKOSA-N 0 1 289.423 2.539 20 30 CFEDMN C=CCN(CC=C)C(=O)CN(C)[C@@H](C)c1ccccc1 ZINC000061801629 518763531 /nfs/dbraw/zinc/76/35/31/518763531.db2.gz KNZUEYWGCFXADQ-HNNXBMFYSA-N 0 1 272.392 2.880 20 30 CFEDMN C=Cc1ccc(C(=O)N=c2[nH]n(C(C)(C)C)cc2C#N)cc1 ZINC000341417041 519309296 /nfs/dbraw/zinc/30/92/96/519309296.db2.gz JPLKVEWXSGEWOV-UHFFFAOYSA-N 0 1 294.358 2.827 20 30 CFEDMN CC(C)[C@H]1CN(Cc2cc(C#N)cs2)CCCO1 ZINC000336164864 519826927 /nfs/dbraw/zinc/82/69/27/519826927.db2.gz URGKSZCMNDYCHM-CQSZACIVSA-N 0 1 264.394 2.867 20 30 CFEDMN Cc1nnc(NC(=O)c2cn(C)nc2C2CCCCC2)[nH]1 ZINC000329189948 534451104 /nfs/dbraw/zinc/45/11/04/534451104.db2.gz PXLKNHAWYRNWPB-UHFFFAOYSA-N 0 1 288.355 2.531 20 30 CFEDMN Cc1n[nH]c(NC(=O)c2cn(C)nc2C2CCCCC2)n1 ZINC000329189948 534451106 /nfs/dbraw/zinc/45/11/06/534451106.db2.gz PXLKNHAWYRNWPB-UHFFFAOYSA-N 0 1 288.355 2.531 20 30 CFEDMN Cc1ccc2[nH]c(CN[C@@H]3CC[C@H](C#N)C3)nc2c1 ZINC000336170646 534503618 /nfs/dbraw/zinc/50/36/18/534503618.db2.gz UXMFSFTVROTGSE-NWDGAFQWSA-N 0 1 254.337 2.653 20 30 CFEDMN Cc1ccc2nc(CN[C@@H]3CC[C@H](C#N)C3)[nH]c2c1 ZINC000336170646 534503623 /nfs/dbraw/zinc/50/36/23/534503623.db2.gz UXMFSFTVROTGSE-NWDGAFQWSA-N 0 1 254.337 2.653 20 30 CFEDMN CCCN(C)CC(=O)Nc1ccccc1SCC#N ZINC000049480461 521485378 /nfs/dbraw/zinc/48/53/78/521485378.db2.gz BSFLMWRXIXTHSA-UHFFFAOYSA-N 0 1 277.393 2.583 20 30 CFEDMN CCCN(CC(=O)NCC1CCC1)Cc1ccc(C#N)cc1 ZINC000066494521 521549266 /nfs/dbraw/zinc/54/92/66/521549266.db2.gz AXQUWFDZLGAYAL-UHFFFAOYSA-N 0 1 299.418 2.687 20 30 CFEDMN CC[C@@H](C)N(CCO)Cc1ccc(C#N)cc1Cl ZINC000310636798 522088794 /nfs/dbraw/zinc/08/87/94/522088794.db2.gz RBWVXAAKIZPFHA-LLVKDONJSA-N 0 1 266.772 2.804 20 30 CFEDMN CN(Cc1cc(F)ccc1C#N)C[C@H]1CCCC[C@H]1O ZINC000245526486 523180455 /nfs/dbraw/zinc/18/04/55/523180455.db2.gz ARVDFZGJXDLXJX-CZUORRHYSA-N 0 1 276.355 2.680 20 30 CFEDMN N#CC(=C(O)c1cccn1C1CCCC1)c1ccncn1 ZINC000354477979 534740886 /nfs/dbraw/zinc/74/08/86/534740886.db2.gz ULSOSZRNSITVEJ-ZDUSSCGKSA-N 0 1 280.331 2.883 20 30 CFEDMN CO[C@H]1CN(Cc2cccc(C#N)c2F)CC[C@H]1C ZINC000300241271 524007746 /nfs/dbraw/zinc/00/77/46/524007746.db2.gz FOBCYBYSQZQFOJ-RISCZKNCSA-N 0 1 262.328 2.554 20 30 CFEDMN COc1cccc2c1OCC[C@H]2NCc1cc(C#N)n(C)c1 ZINC000365078735 524235889 /nfs/dbraw/zinc/23/58/89/524235889.db2.gz WIOBRJFTFQOHLL-OAHLLOKOSA-N 0 1 297.358 2.519 20 30 CFEDMN Cc1cccc(CN(C)Cc2ccc(C#N)cc2)n1 ZINC000083798889 524377107 /nfs/dbraw/zinc/37/71/07/524377107.db2.gz IKUCKXRBIDAFES-UHFFFAOYSA-N 0 1 251.333 2.894 20 30 CFEDMN C=CCC[C@@H](O)CN[C@](C)(CC)c1nccs1 ZINC000268522995 534800088 /nfs/dbraw/zinc/80/00/88/534800088.db2.gz GGWVUPYPVVPIMS-DGCLKSJQSA-N 0 1 254.399 2.685 20 30 CFEDMN Cc1cc(CN[C@@H]2CCCc3c[nH]nc32)ccc1C#N ZINC000336426307 524772932 /nfs/dbraw/zinc/77/29/32/524772932.db2.gz FROCMEHLBBPFLF-OAHLLOKOSA-N 0 1 266.348 2.757 20 30 CFEDMN Cc1cccc2c1OCC[C@H]2NCc1cc(C#N)n(C)c1 ZINC000191624681 524955829 /nfs/dbraw/zinc/95/58/29/524955829.db2.gz ZPJAMBRFUFHXCQ-MRXNPFEDSA-N 0 1 281.359 2.819 20 30 CFEDMN C[C@@H](NCc1ccc(C#N)c(F)c1)c1ccncc1 ZINC000192146932 525519165 /nfs/dbraw/zinc/51/91/65/525519165.db2.gz SIHYDCJFIKYDMN-LLVKDONJSA-N 0 1 255.296 2.943 20 30 CFEDMN C[C@@H](O)C1CCN(Cc2ccc(C#N)cc2Cl)CC1 ZINC000221119984 525746233 /nfs/dbraw/zinc/74/62/33/525746233.db2.gz BNIDKWGJPWTMIJ-LLVKDONJSA-N 0 1 278.783 2.804 20 30 CFEDMN C[C@H](C(=O)Nc1cccc(C#N)c1)N1CCC2(CC2)CC1 ZINC000366681165 526153472 /nfs/dbraw/zinc/15/34/72/526153472.db2.gz MSPAHMLYSOBATM-CYBMUJFWSA-N 0 1 283.375 2.761 20 30 CFEDMN C[C@H]1CC(O)C[C@H](C)N1Cc1ccc(C#N)cc1Cl ZINC000336278871 526229034 /nfs/dbraw/zinc/22/90/34/526229034.db2.gz BFYWXFKMOZXKAW-QWRGUYRKSA-N 0 1 278.783 2.945 20 30 CFEDMN N#Cc1cc(F)ccc1CN1CCC[C@@H]2COCC[C@@H]21 ZINC000336041900 526558206 /nfs/dbraw/zinc/55/82/06/526558206.db2.gz NWPQIAXCNOMCME-CJNGLKHVSA-N 0 1 274.339 2.698 20 30 CFEDMN N#Cc1cc(NC(=O)c2cc(F)cc3[nH]cnc32)ccc1F ZINC000076880964 526568640 /nfs/dbraw/zinc/56/86/40/526568640.db2.gz ODQFFJUNXRANKZ-UHFFFAOYSA-N 0 1 298.252 2.965 20 30 CFEDMN N#Cc1ccc(CN2CCC(c3ccccn3)CC2)o1 ZINC000367461449 526612410 /nfs/dbraw/zinc/61/24/10/526612410.db2.gz XVBLZOODXXYIPZ-UHFFFAOYSA-N 0 1 267.332 2.926 20 30 CFEDMN N#Cc1ccc(NS(=O)(=O)c2ccsc2)cc1F ZINC000335164783 526665671 /nfs/dbraw/zinc/66/56/71/526665671.db2.gz XBAJXUGSNPCAIU-UHFFFAOYSA-N 0 1 282.321 2.560 20 30 CFEDMN N#Cc1cccc(CN2CCC(CCCO)CC2)c1F ZINC000360086547 526703481 /nfs/dbraw/zinc/70/34/81/526703481.db2.gz FBGGJGAVGATJLS-UHFFFAOYSA-N 0 1 276.355 2.682 20 30 CFEDMN C=C(C)C[C@H](C)C(=O)N[C@@H](c1nnc[nH]1)c1ccccc1 ZINC000344468406 526712730 /nfs/dbraw/zinc/71/27/30/526712730.db2.gz BLCHIVFKDNKXHM-GXTWGEPZSA-N 0 1 284.363 2.613 20 30 CFEDMN N#Cc1ccccc1CN1CC[C@]2(O)CCCC[C@@H]2C1 ZINC000160439540 526737011 /nfs/dbraw/zinc/73/70/11/526737011.db2.gz VAUVNSOCMOESHP-IAGOWNOFSA-N 0 1 270.376 2.685 20 30 CFEDMN N#Cc1ccccc1S(=O)(=O)Nc1ccc2[nH]ccc2c1 ZINC000074842351 526750051 /nfs/dbraw/zinc/75/00/51/526750051.db2.gz IXTYJTRUPOBBFY-UHFFFAOYSA-N 0 1 297.339 2.840 20 30 CFEDMN C=C1CCN(Cc2ccc(O[C@@H](C)C(=O)OC)cc2)CC1 ZINC000353319444 526904969 /nfs/dbraw/zinc/90/49/69/526904969.db2.gz DNCHIVAJXDZCPE-AWEZNQCLSA-N 0 1 289.375 2.779 20 30 CFEDMN C=CC1CCN(C(=O)NCc2nc3ccc(C)cc3[nH]2)CC1 ZINC000336039694 526967205 /nfs/dbraw/zinc/96/72/05/526967205.db2.gz XVXPGWXDKDEXSU-UHFFFAOYSA-N 0 1 298.390 2.979 20 30 CFEDMN C=CCC1(C(=O)N2CCCN(C)CC2)CCCCC1 ZINC000336235985 527042495 /nfs/dbraw/zinc/04/24/95/527042495.db2.gz FANPRTUVUCRVKR-UHFFFAOYSA-N 0 1 264.413 2.677 20 30 CFEDMN Cn1cc(CN2CC[C@@]3(C2)OCc2ccccc23)cc1C#N ZINC000191503693 527206966 /nfs/dbraw/zinc/20/69/66/527206966.db2.gz UKMUPCSPSBKKEF-SFHVURJKSA-N 0 1 293.370 2.528 20 30 CFEDMN C=CCc1ccccc1OC[C@@H](O)CN1CC[C@@](C)(F)C1 ZINC000347346665 527262308 /nfs/dbraw/zinc/26/23/08/527262308.db2.gz HOWALRPOOZCZIG-DOTOQJQBSA-N 0 1 293.382 2.589 20 30 CFEDMN C=CCCC[C@@H](C)NC(=O)N1CCN([C@@H](C)CC)CC1 ZINC000458621174 527262885 /nfs/dbraw/zinc/26/28/85/527262885.db2.gz OHRIFPDNYLUCJP-CABCVRRESA-N 0 1 281.444 2.857 20 30 CFEDMN CC(C)([C@H](NCC#N)c1ccc(F)c(F)c1)N1CCCC1 ZINC000347363625 527376074 /nfs/dbraw/zinc/37/60/74/527376074.db2.gz MZYWWZFHUCMBEL-OAHLLOKOSA-N 0 1 293.361 2.993 20 30 CFEDMN C=C[C@@H]1OCCC[C@H]1NC(=O)c1ccc(O)c(Cl)c1 ZINC000334764253 527478294 /nfs/dbraw/zinc/47/82/94/527478294.db2.gz LTBOTHHPERFZRY-YPMHNXCESA-N 0 1 281.739 2.509 20 30 CFEDMN C=CCN(C)C(=O)[C@@H](CC)N(C)Cc1ccccc1 ZINC000355919394 527567878 /nfs/dbraw/zinc/56/78/78/527567878.db2.gz MKIHSEGECDJTOW-OAHLLOKOSA-N 0 1 260.381 2.541 20 30 CFEDMN C=CCN(CC1CCCCC1)C(=O)c1cc(C)[nH]n1 ZINC000112198905 527596808 /nfs/dbraw/zinc/59/68/08/527596808.db2.gz FFIBLVQWHYFVDZ-UHFFFAOYSA-N 0 1 261.369 2.927 20 30 CFEDMN C=C[C@H]1CCCCN1C(=O)c1cccc2[nH]cnc21 ZINC000336276991 527603964 /nfs/dbraw/zinc/60/39/64/527603964.db2.gz HPMHPPLBYZRWAD-NSHDSACASA-N 0 1 255.321 2.744 20 30 CFEDMN CC(C)C[C@H](N)c1noc(-c2cc(C#N)cs2)n1 ZINC000414619335 528555840 /nfs/dbraw/zinc/55/58/40/528555840.db2.gz NWTXTRIJVSZKBE-VIFPVBQESA-N 0 1 262.338 2.716 20 30 CFEDMN CC(C)N1CCC[C@H](N(C)[C@H](C)c2cccc(C#N)c2)C1=O ZINC000425532184 529024755 /nfs/dbraw/zinc/02/47/55/529024755.db2.gz INFQULYAMDEJPV-PBHICJAKSA-N 0 1 299.418 2.950 20 30 CFEDMN CC(C)Oc1ccc(NC(=O)c2ccc(C#N)c(O)c2)cn1 ZINC000443309567 535014875 /nfs/dbraw/zinc/01/48/75/535014875.db2.gz GYXCWONHQPBFDG-UHFFFAOYSA-N 0 1 297.314 2.698 20 30 CFEDMN CC[C@H]1CN(Cc2ccc(C#N)cc2C(F)(F)F)C[C@@H]1O ZINC000356132747 536153070 /nfs/dbraw/zinc/15/30/70/536153070.db2.gz WIWBYGVLQQLMCK-FZMZJTMJSA-N 0 1 298.308 2.780 20 30 CFEDMN C[C@@H]1C[C@@H]2C[C@@H]2C[C@H]1C(=O)Nc1cc(C#N)ccc1O ZINC000935108721 649876608 /nfs/dbraw/zinc/87/66/08/649876608.db2.gz PJFDPUMRJULAIQ-OJAKKHQRSA-N 0 1 270.332 2.885 20 30 CFEDMN Cc1cc(-c2nccc3[nH]cc(C#N)c32)cnc1F ZINC001243396275 782181094 /nfs/dbraw/zinc/18/10/94/782181094.db2.gz WSZBMMORSOUYHL-UHFFFAOYSA-N 0 1 252.252 2.944 20 30 CFEDMN C=C(C)CN1CC[C@@H]1CN(C)C(=O)c1ccc2cc[nH]c2c1 ZINC001085844849 782183137 /nfs/dbraw/zinc/18/31/37/782183137.db2.gz YUAGQWPPSLINMV-MRXNPFEDSA-N 0 1 297.402 2.890 20 30 CFEDMN CCc1cc(CNCc2ccc(N(C)CCC#N)cc2)[nH]n1 ZINC000738430036 574049363 /nfs/dbraw/zinc/04/93/63/574049363.db2.gz DVYSZHCUMYOFEX-UHFFFAOYSA-N 0 1 297.406 2.612 20 30 CFEDMN C[C@H]1COC(C)(C)CN1Cc1ccc(OCC#N)cc1 ZINC000753834797 574050120 /nfs/dbraw/zinc/05/01/20/574050120.db2.gz UBSLOGGGVSHCKB-ZDUSSCGKSA-N 0 1 274.364 2.588 20 30 CFEDMN CC(=NNC1=N[C@@H]2CCCC[C@@H]2N1)c1ccc(Cl)cc1 ZINC000753940357 574057069 /nfs/dbraw/zinc/05/70/69/574057069.db2.gz UKSKAFYOBDDJRG-OKILXGFUSA-N 0 1 290.798 2.924 20 30 CFEDMN CC(=NNC(=N)N)c1sc(-c2ccc(C)cc2)nc1C ZINC000727650183 574058191 /nfs/dbraw/zinc/05/81/91/574058191.db2.gz HSWRXOLFFJJESR-UHFFFAOYSA-N 0 1 287.392 2.634 20 30 CFEDMN Cc1ccc(-c2nc3c(s2)C(=NNC(=N)N)CCC3)cc1 ZINC000727649718 574058300 /nfs/dbraw/zinc/05/83/00/574058300.db2.gz CYGBSGIIYPZVHE-UHFFFAOYSA-N 0 1 299.403 2.642 20 30 CFEDMN C[C@@H]1CC(N=Nc2cccc(F)c2F)CN1C1CC1 ZINC000753960435 574059410 /nfs/dbraw/zinc/05/94/10/574059410.db2.gz RZFZJLWEEQLFRG-SECBINFHSA-N 0 1 265.307 2.989 20 30 CFEDMN C[C@H](C#N)C(=O)N[C@@H](C)c1nc2ccc(Cl)cc2[nH]1 ZINC000736679743 574065035 /nfs/dbraw/zinc/06/50/35/574065035.db2.gz KOTJNXAWECLZTL-SFYZADRCSA-N 0 1 276.727 2.553 20 30 CFEDMN C=C(Br)COC(=O)[C@H](CC)N(CC)CC ZINC000741033293 574073183 /nfs/dbraw/zinc/07/31/83/574073183.db2.gz PCSBGFWDMJSENN-JTQLQIEISA-N 0 1 278.190 2.559 20 30 CFEDMN Fc1cc(C=NNc2ccc(Cl)nn2)cc(F)c1F ZINC000727969260 574075150 /nfs/dbraw/zinc/07/51/50/574075150.db2.gz AQWWIEJRSVCZLI-UHFFFAOYSA-N 0 1 286.644 2.993 20 30 CFEDMN Cc1c(N=NC2CCn3cccc32)cccc1[N+](=O)[O-] ZINC000727973104 574075420 /nfs/dbraw/zinc/07/54/20/574075420.db2.gz DCJUBFLSVNVOGM-UHFFFAOYSA-N 0 1 270.292 2.925 20 30 CFEDMN O=[N+]([O-])c1ccccc1NN=Cc1cnc2ccccc2n1 ZINC000744544359 574080259 /nfs/dbraw/zinc/08/02/59/574080259.db2.gz UZCBZQXSILPCAR-UHFFFAOYSA-N 0 1 293.286 2.984 20 30 CFEDMN CC(C)[N@@H+]1CC(N=Nc2ccccc2C(=O)[O-])[C@H](C)C1 ZINC000754258910 574084485 /nfs/dbraw/zinc/08/44/85/574084485.db2.gz ONFGHKAGLUVTKX-LLVKDONJSA-N 0 1 275.352 2.513 20 30 CFEDMN C=CCCC[N@@H+]1CCC[C@@H]([C@H]2CCCN2C(=O)[O-])C1 ZINC000738493096 574095193 /nfs/dbraw/zinc/09/51/93/574095193.db2.gz JZCGDBBTNMSZQE-ZIAGYGMSSA-N 0 1 266.385 2.807 20 30 CFEDMN Cc1n[nH]c(C)c1/C=C\C(=O)c1ccc(O)c(F)c1 ZINC000728438832 574096068 /nfs/dbraw/zinc/09/60/68/574096068.db2.gz QABFLKRDWLAYPQ-XQRVVYSFSA-N 0 1 260.268 2.767 20 30 CFEDMN COc1ccc(CN=Nc2ccc(F)cn2)cc1F ZINC000731318066 574116117 /nfs/dbraw/zinc/11/61/17/574116117.db2.gz IHCBTUPSYBPSCC-UHFFFAOYSA-N 0 1 263.247 2.814 20 30 CFEDMN CC(=NNc1ccc(F)cn1)c1ccc2c(c1)OCO2 ZINC000731319695 574116882 /nfs/dbraw/zinc/11/68/82/574116882.db2.gz XPZGFOAYVAEPBX-UHFFFAOYSA-N 0 1 273.267 2.786 20 30 CFEDMN CC1(C)Cc2occc2C(=NNc2ncnc3nc[nH]c32)C1 ZINC000731486346 574122040 /nfs/dbraw/zinc/12/20/40/574122040.db2.gz JEZIZKWPFZLLRH-UHFFFAOYSA-N 0 1 296.334 2.735 20 30 CFEDMN Cc1cc(N=NCc2csc(C3CC3)n2)ncn1 ZINC000731935914 574135797 /nfs/dbraw/zinc/13/57/97/574135797.db2.gz VOQJXIPLEXVZLF-UHFFFAOYSA-N 0 1 259.338 2.565 20 30 CFEDMN Cc1cc(NN=Cc2csc(C3CC3)n2)ncn1 ZINC000731935914 574135799 /nfs/dbraw/zinc/13/57/99/574135799.db2.gz VOQJXIPLEXVZLF-UHFFFAOYSA-N 0 1 259.338 2.565 20 30 CFEDMN Cc1cc(N=NCc2c(Cl)n(C)nc2C(C)C)ncn1 ZINC000731935024 574135808 /nfs/dbraw/zinc/13/58/08/574135808.db2.gz NXDRONWMGUGZBA-UHFFFAOYSA-N 0 1 292.774 2.741 20 30 CFEDMN Cc1cc(=NN=Cc2ccc([C@@H]3C[C@@H]3C)o2)nc[nH]1 ZINC000731935832 574136015 /nfs/dbraw/zinc/13/60/15/574136015.db2.gz TZZNCABIHWNNCX-JOYOIKCWSA-N 0 1 256.309 2.947 20 30 CFEDMN CS(=O)(=O)c1ccccc1N=NCc1cccs1 ZINC000731936033 574136030 /nfs/dbraw/zinc/13/60/30/574136030.db2.gz XWECPZXQKWJOIU-UHFFFAOYSA-N 0 1 280.374 2.598 20 30 CFEDMN C[N@@H+](Cc1ccc(C#N)cc1)Cc1ccccc1C(=O)[O-] ZINC000737450869 574141923 /nfs/dbraw/zinc/14/19/23/574141923.db2.gz FVJRQKSXDJWXNZ-UHFFFAOYSA-N 0 1 280.327 2.888 20 30 CFEDMN C#CCNCC(=O)N1CCC[C@H]1c1ccc(C(C)(C)C)cc1 ZINC000746513512 574152928 /nfs/dbraw/zinc/15/29/28/574152928.db2.gz LDKRUGPEBNCCHA-KRWDZBQOSA-N 0 1 298.430 2.870 20 30 CFEDMN CON=C(C)c1cc(Br)c(F)cc1O ZINC000746566216 574155148 /nfs/dbraw/zinc/15/51/48/574155148.db2.gz UDOVMKOKKWEGFX-UHFFFAOYSA-N 0 1 262.078 2.664 20 30 CFEDMN Cc1cc(C(C#N)C(=O)CC[C@@H]2CCCCO2)nc(C)n1 ZINC000732495133 574158900 /nfs/dbraw/zinc/15/89/00/574158900.db2.gz RDTWRTKXQMXXAB-UONOGXRCSA-N 0 1 287.363 2.619 20 30 CFEDMN C=CCOCC(=O)N[C@H](C)c1nc2ccc(Cl)cc2[nH]1 ZINC000732540365 574160241 /nfs/dbraw/zinc/16/02/41/574160241.db2.gz DOLGNBBVIHRKAK-SECBINFHSA-N 0 1 293.754 2.596 20 30 CFEDMN COc1cc([N+](=O)[O-])ccc1N=NCc1ccc(C#N)cc1 ZINC000746679637 574162190 /nfs/dbraw/zinc/16/21/90/574162190.db2.gz KAZWEIWXKYNSRW-UHFFFAOYSA-N 0 1 296.286 2.921 20 30 CFEDMN CCC(N=Nc1cccc(OC)c1)c1nccn1C ZINC000755608739 574171740 /nfs/dbraw/zinc/17/17/40/574171740.db2.gz OBKKFRHOSGUIGA-UHFFFAOYSA-N 0 1 258.325 2.655 20 30 CFEDMN Cn1c2ccccc2[nH]c1=NN=Cc1ccccc1C#N ZINC000755648003 574174764 /nfs/dbraw/zinc/17/47/64/574174764.db2.gz HSPOUZOUXYLWCS-UHFFFAOYSA-N 0 1 275.315 2.891 20 30 CFEDMN Cc1cc(C(C#N)C(=O)C2C(C)(C)C2(C)C)nc(C)n1 ZINC000747107472 574180300 /nfs/dbraw/zinc/18/03/00/574180300.db2.gz FAAGJMIAYOKACW-LLVKDONJSA-N 0 1 271.364 2.952 20 30 CFEDMN N#CCCCC[N@H+](CC(=O)[O-])Cc1ccc(Cl)cc1 ZINC000739068828 574195548 /nfs/dbraw/zinc/19/55/48/574195548.db2.gz HUNOKJQAXVSNGU-UHFFFAOYSA-N 0 1 280.755 2.920 20 30 CFEDMN CCc1nn(C)c(Cl)c1C=N[N-]c1cc(C)cc[nH+]1 ZINC000755901216 574195659 /nfs/dbraw/zinc/19/56/59/574195659.db2.gz UEGRWZMNJQTPDR-UHFFFAOYSA-N 0 1 277.759 2.785 20 30 CFEDMN N#Cc1ccc([C@@H](C(=O)[O-])[N@H+]2CC[C@@H](c3ccco3)C2)cc1 ZINC000739105932 574198849 /nfs/dbraw/zinc/19/88/49/574198849.db2.gz OQWFCDDZOHCAPP-ZBFHGGJFSA-N 0 1 296.326 2.766 20 30 CFEDMN C#CCN(CC(=O)Nc1ccc(O)cc1)C1CCCCC1 ZINC000747528854 574199926 /nfs/dbraw/zinc/19/99/26/574199926.db2.gz PMTWGOSUHHVCSI-UHFFFAOYSA-N 0 1 286.375 2.599 20 30 CFEDMN CCN(CC)c1ccc(CN=Nc2cccnn2)cc1F ZINC000739410904 574212504 /nfs/dbraw/zinc/21/25/04/574212504.db2.gz FUBBVVWRWOILNV-UHFFFAOYSA-N 0 1 287.342 2.908 20 30 CFEDMN C#CCN1CCC(C(=O)N2C[C@@H](C)Cc3ccccc32)CC1 ZINC000729422610 574214679 /nfs/dbraw/zinc/21/46/79/574214679.db2.gz DJTRULWYGJMQNG-HNNXBMFYSA-N 0 1 296.414 2.557 20 30 CFEDMN C=CCOc1ccc(CNC[C@H](OC)C(F)(F)F)cc1 ZINC000733329813 574222072 /nfs/dbraw/zinc/22/20/72/574222072.db2.gz ZOMXGMHNMZVRSW-ZDUSSCGKSA-N 0 1 289.297 2.918 20 30 CFEDMN Cc1cc(CC(=O)OCC#Cc2ccc(Cl)cc2)n[nH]1 ZINC000756305051 574223397 /nfs/dbraw/zinc/22/33/97/574223397.db2.gz WLWCZYREARMNQT-UHFFFAOYSA-N 0 1 288.734 2.509 20 30 CFEDMN CCN(C)c1ccc(C(C)=[NH+][N-]c2cccnn2)cc1 ZINC000748075043 574227072 /nfs/dbraw/zinc/22/70/72/574227072.db2.gz FGUVMIVRGADMAJ-UHFFFAOYSA-N 0 1 269.352 2.769 20 30 CFEDMN C=CCCN1CCN(C(=O)OC(C)(C)C)C[C@@H]1C ZINC000739915897 574228936 /nfs/dbraw/zinc/22/89/36/574228936.db2.gz SZZJHVBAMVDHTJ-LBPRGKRZSA-N 0 1 254.374 2.504 20 30 CFEDMN CC/C=C(\C)C(=O)OCC(=O)[C@H](C#N)c1nc(C)cs1 ZINC000729701955 574230032 /nfs/dbraw/zinc/23/00/32/574230032.db2.gz PIOYTXTWDUXGDT-NKLKJHRZSA-N 0 1 292.360 2.527 20 30 CFEDMN CC/C=C(\C)C(=O)OCC(=O)C(C#N)c1nc(C)cs1 ZINC000729701955 574230034 /nfs/dbraw/zinc/23/00/34/574230034.db2.gz PIOYTXTWDUXGDT-NKLKJHRZSA-N 0 1 292.360 2.527 20 30 CFEDMN C=CCC[C@@H]([NH2+]Cc1csc(C(C)(C)C)n1)C(=O)[O-] ZINC000756379500 574230870 /nfs/dbraw/zinc/23/08/70/574230870.db2.gz MXHFNOIQHOPTLB-LLVKDONJSA-N 0 1 282.409 2.950 20 30 CFEDMN C#CCN1CCC[C@@H]1COC(=O)C[C@H](CC)C(C)C ZINC000729812360 574232564 /nfs/dbraw/zinc/23/25/64/574232564.db2.gz SWJBEBBWBZTRHF-LSDHHAIUSA-N 0 1 265.397 2.700 20 30 CFEDMN Cc1ccc(N=NCc2ccc(Cl)c([N+](=O)[O-])c2)nn1 ZINC000729935974 574239095 /nfs/dbraw/zinc/23/90/95/574239095.db2.gz ZVDMHVDZNZPDQV-UHFFFAOYSA-N 0 1 291.698 2.793 20 30 CFEDMN CC(=NNc1ccc(C)nn1)c1c(F)cccc1F ZINC000729936332 574239137 /nfs/dbraw/zinc/23/91/37/574239137.db2.gz QCJYLSCMUQZJGU-UHFFFAOYSA-N 0 1 262.263 2.899 20 30 CFEDMN C#CCN1CCC[C@@H]1COC(=O)c1ccccc1OCC=C ZINC000756543379 574245128 /nfs/dbraw/zinc/24/51/28/574245128.db2.gz QMTNAFPZUROOLC-OAHLLOKOSA-N 0 1 299.370 2.506 20 30 CFEDMN C#CCN1CCC[C@@H]1COC(=O)CCSCCCC ZINC000756542380 574245187 /nfs/dbraw/zinc/24/51/87/574245187.db2.gz LQKCPUMKEJKOSH-CQSZACIVSA-N 0 1 283.437 2.551 20 30 CFEDMN C#CCN1CCC[C@H]1COC(=O)c1coc2ccccc12 ZINC000756547199 574245912 /nfs/dbraw/zinc/24/59/12/574245912.db2.gz JTZNUSVNPWFZOY-ZDUSSCGKSA-N 0 1 283.327 2.687 20 30 CFEDMN N#Cc1ccc(O)c(NC(=O)c2cccc(Cl)n2)c1 ZINC000748410917 574251376 /nfs/dbraw/zinc/25/13/76/574251376.db2.gz UJEVIQJKBRFFSE-UHFFFAOYSA-N 0 1 273.679 2.565 20 30 CFEDMN Clc1cnccc1N=NCc1ccc(-n2ccnc2)cc1 ZINC000756837850 574266730 /nfs/dbraw/zinc/26/67/30/574266730.db2.gz DWJHCAYAIUOUJZ-UHFFFAOYSA-N 0 1 297.749 2.789 20 30 CFEDMN CC(N=Nc1ccncc1Cl)c1cccc(C#N)c1 ZINC000756838712 574266839 /nfs/dbraw/zinc/26/68/39/574266839.db2.gz MXIJESAQHMFRKC-UHFFFAOYSA-N 0 1 270.723 2.865 20 30 CFEDMN CCn1c(CN=Nc2ccncc2Cl)nc2ccccc21 ZINC000756838730 574266895 /nfs/dbraw/zinc/26/68/95/574266895.db2.gz NAUTVEWJBCJRJQ-UHFFFAOYSA-N 0 1 299.765 2.973 20 30 CFEDMN CC(=NNc1ccncc1Cl)c1cccc(O)c1 ZINC000756849590 574267977 /nfs/dbraw/zinc/26/79/77/574267977.db2.gz SDHRHMUSNRRZEE-UHFFFAOYSA-N 0 1 261.712 2.699 20 30 CFEDMN C#CCN(CC(=O)N(C)[C@@H]1CCCC[C@H]1C)C1CCCC1 ZINC000756911723 574272671 /nfs/dbraw/zinc/27/26/71/574272671.db2.gz DJZZBUVMANGHJP-NVXWUHKLSA-N 0 1 290.451 2.901 20 30 CFEDMN C#CCN(Cc1cc(C(=O)OC)oc1C)C1CCCC1 ZINC000756912300 574272744 /nfs/dbraw/zinc/27/27/44/574272744.db2.gz PJKQKDRYBCVMCN-UHFFFAOYSA-N 0 1 275.348 2.752 20 30 CFEDMN C=C(Br)CN1CCC[C@H]([C@@H]2CCOC2)C1 ZINC000749561313 574300136 /nfs/dbraw/zinc/30/01/36/574300136.db2.gz QDAJTYRYYBTVTM-NWDGAFQWSA-N 0 1 274.202 2.644 20 30 CFEDMN CC(N=Nc1cc(F)c(F)cc1F)c1cnccn1 ZINC000734751174 574301196 /nfs/dbraw/zinc/30/11/96/574301196.db2.gz MOHZAWUSGWGZPE-UHFFFAOYSA-N 0 1 266.226 2.730 20 30 CFEDMN CC#CCN1CCCC[C@@H]1[C@@H](C)NC(=O)OC(C)(C)C ZINC000741777860 574302661 /nfs/dbraw/zinc/30/26/61/574302661.db2.gz MLRNOAJZVPTCJR-ZIAGYGMSSA-N 0 1 280.412 2.777 20 30 CFEDMN Cc1ccc(F)c(C=NNc2cc(C)nc(C)n2)c1 ZINC000734979469 574308348 /nfs/dbraw/zinc/30/83/48/574308348.db2.gz HYQBTMFZXPEVPN-UHFFFAOYSA-N 0 1 258.300 2.987 20 30 CFEDMN CC[C@@H](NC(=O)CCc1cnc[nH]1)C1CCOCC1 ZINC000329297791 574313287 /nfs/dbraw/zinc/31/32/87/574313287.db2.gz UEWUUSITXJICKH-CYBMUJFWSA-N 0 1 265.357 2.504 20 30 CFEDMN Cc1cc(C(C#N)C(=O)C[C@@H](C)n2cccc2)nc(C)n1 ZINC000735208591 574316568 /nfs/dbraw/zinc/31/65/68/574316568.db2.gz MJDSFOAOOWHUGS-OCCSQVGLSA-N 0 1 282.347 2.723 20 30 CFEDMN CCOCCCC(=O)[C@@H](C#N)c1nc2cccc(C)c2[nH]1 ZINC000735791392 574335355 /nfs/dbraw/zinc/33/53/55/574335355.db2.gz XVQNMLXFYRRPJR-GFCCVEGCSA-N 0 1 285.347 2.864 20 30 CFEDMN CCCCOCC(=O)[C@@H](C#N)c1nc2cccc(C)c2[nH]1 ZINC000735793761 574336130 /nfs/dbraw/zinc/33/61/30/574336130.db2.gz YGFHORIFDOQVQM-GFCCVEGCSA-N 0 1 285.347 2.864 20 30 CFEDMN C=CCN(C(=O)[C@H](C)N1CCc2ccccc2C1)C(C)C ZINC000736073985 574349799 /nfs/dbraw/zinc/34/97/99/574349799.db2.gz GZPCCCZALISWGH-HNNXBMFYSA-N 0 1 286.419 2.856 20 30 CFEDMN C=CCCC[N@H+](C)[C@@H](C)C(=O)c1[nH]c(C)c(C(=O)[O-])c1C ZINC000736102476 574350181 /nfs/dbraw/zinc/35/01/81/574350181.db2.gz JSDRYOITOVMMRX-LBPRGKRZSA-N 0 1 292.379 2.799 20 30 CFEDMN C=CCCC[N@H+](C)CC(=O)Nc1cc(C(=O)[O-])ccc1C ZINC000736102770 574350185 /nfs/dbraw/zinc/35/01/85/574350185.db2.gz XQBZBQGTKYDSFG-UHFFFAOYSA-N 0 1 290.363 2.530 20 30 CFEDMN CCCCCNC(=O)C(C#N)C(=O)[C@@H](C)C1CCCC1 ZINC000750684372 574350974 /nfs/dbraw/zinc/35/09/74/574350974.db2.gz PWQMYBOHMMUCEJ-GXTWGEPZSA-N 0 1 278.396 2.828 20 30 CFEDMN C[C@@H](C(=O)C(C#N)C(=O)NC1CCCCC1)C1CCCC1 ZINC000750683465 574350998 /nfs/dbraw/zinc/35/09/98/574350998.db2.gz DXTCSVAALLLZAQ-DOMZBBRYSA-N 0 1 290.407 2.970 20 30 CFEDMN C[C@@H](C(=O)C(C#N)C(=O)NCc1ccccc1)C1CCCC1 ZINC000750684099 574351047 /nfs/dbraw/zinc/35/10/47/574351047.db2.gz MEKDCAHLXDDCNF-CJNGLKHVSA-N 0 1 298.386 2.838 20 30 CFEDMN C[C@@H](C#N)C[N@H+](C)[C@@H](C(=O)[O-])c1cccc(Cl)c1 ZINC000736203909 574354433 /nfs/dbraw/zinc/35/44/33/574354433.db2.gz WKJVYHMMYQMGRR-JOYOIKCWSA-N 0 1 266.728 2.557 20 30 CFEDMN C[C@@H](C#N)C[N@@H+](C)[C@@H](C(=O)[O-])c1cccc(Cl)c1 ZINC000736203909 574354436 /nfs/dbraw/zinc/35/44/36/574354436.db2.gz WKJVYHMMYQMGRR-JOYOIKCWSA-N 0 1 266.728 2.557 20 30 CFEDMN C=C(Cl)CNC(=O)[C@@H](c1ccccc1)N(CC)CC ZINC000736241937 574356435 /nfs/dbraw/zinc/35/64/35/574356435.db2.gz FWNTXDRLQZSHIG-CQSZACIVSA-N 0 1 280.799 2.938 20 30 CFEDMN CCO[C@@H]1CC(=NNCCN2CCCCC2)C12CCCC2 ZINC000743439134 574364423 /nfs/dbraw/zinc/36/44/23/574364423.db2.gz SBNIOHWKPCZDBQ-MRXNPFEDSA-N 0 1 293.455 2.787 20 30 CFEDMN Cc1ccoc1CN=Nc1cnnc2ccccc12 ZINC000743440423 574364535 /nfs/dbraw/zinc/36/45/35/574364535.db2.gz NAFQIGHFXYKQAE-UHFFFAOYSA-N 0 1 252.277 2.977 20 30 CFEDMN Oc1cccc(CN=Nc2cccc(F)c2F)c1O ZINC000743441665 574364920 /nfs/dbraw/zinc/36/49/20/574364920.db2.gz MAAKPWNTDDVRDD-UHFFFAOYSA-N 0 1 264.231 2.822 20 30 CFEDMN C[C@@H](NN=Cc1cc(O)ccc1[N+](=O)[O-])c1ccccc1 ZINC000751130433 574369991 /nfs/dbraw/zinc/36/99/91/574369991.db2.gz KXVXJKBBZFFRAK-LLVKDONJSA-N 0 1 285.303 2.985 20 30 CFEDMN O=C1c2cccc(O)c2C/C1=C/c1cc(O)ccc1[N+](=O)[O-] ZINC000751205434 574371928 /nfs/dbraw/zinc/37/19/28/574371928.db2.gz FDNGUTZINHWPJU-POHAHGRESA-N 0 1 297.266 2.828 20 30 CFEDMN Cc1cc(C(C#N)C(=O)CC[C@@H]2CC[C@@H](C)O2)nc(C)n1 ZINC000744025601 574375831 /nfs/dbraw/zinc/37/58/31/574375831.db2.gz DYNAFUDDVHOSKM-XBFCOCLRSA-N 0 1 287.363 2.617 20 30 CFEDMN CC(C)C(=Nn1cc(Br)cn1)C1CC1 ZINC000752747794 574394584 /nfs/dbraw/zinc/39/45/84/574394584.db2.gz RTGJTTYEWDARAA-UHFFFAOYSA-N 0 1 256.147 2.916 20 30 CFEDMN COC(=O)c1cc(/C=C/C(=O)c2ccc(O)c(F)c2)c[nH]1 ZINC000753145108 574399371 /nfs/dbraw/zinc/39/93/71/574399371.db2.gz VLZPPIFPQGGGQW-DUXPYHPUSA-N 0 1 289.262 2.542 20 30 CFEDMN CC[C@H](CC#N)NC(=O)c1cccc2nc(C(F)F)[nH]c21 ZINC000935400138 649905203 /nfs/dbraw/zinc/90/52/03/649905203.db2.gz QBCQPZPLSUWWDZ-MRVPVSSYSA-N 0 1 292.289 2.923 20 30 CFEDMN O=C([O-])C[C@H]1CCC[N@@H+](CC#Cc2ccccc2Cl)C1 ZINC000821516668 597367528 /nfs/dbraw/zinc/36/75/28/597367528.db2.gz UJRWNKZRCWENQP-CYBMUJFWSA-N 0 1 291.778 2.878 20 30 CFEDMN N#Cc1cc(F)ccc1C[NH2+][C@@H](C(=O)[O-])c1ccccc1 ZINC000071264015 599785893 /nfs/dbraw/zinc/78/58/93/599785893.db2.gz OQOGSLAZOIPOBC-OAHLLOKOSA-N 0 1 284.290 2.613 20 30 CFEDMN COCCN(C)N=Cc1cc(Cl)c(O)cc1Cl ZINC000794963951 629711354 /nfs/dbraw/zinc/71/13/54/629711354.db2.gz OZNRVHTVLWJGHH-UHFFFAOYSA-N 0 1 277.151 2.611 20 30 CFEDMN CC[N@@H+](CCCC(=O)[O-])[C@@H](C)c1ccc(C#N)cc1 ZINC000737101216 600226369 /nfs/dbraw/zinc/22/63/69/600226369.db2.gz YODZJCLHKNCMHB-LBPRGKRZSA-N 0 1 260.337 2.806 20 30 CFEDMN C=C(C)CN1CCC[C@@H](NC(=O)[C@@H]2C[C@H]2C(C)(C)C)C1 ZINC001007905218 651140069 /nfs/dbraw/zinc/14/00/69/651140069.db2.gz CHCULJYAGKEPQP-RBSFLKMASA-N 0 1 278.440 2.825 20 30 CFEDMN CC[N@H+](CCC#N)[C@@H](C(=O)[O-])c1cccc(Cl)c1 ZINC000829692699 601012067 /nfs/dbraw/zinc/01/20/67/601012067.db2.gz NAACTEGVRIGZEF-GFCCVEGCSA-N 0 1 266.728 2.701 20 30 CFEDMN CC[N@@H+](CCC#N)[C@@H](C(=O)[O-])c1cccc(Cl)c1 ZINC000829692699 601012070 /nfs/dbraw/zinc/01/20/70/601012070.db2.gz NAACTEGVRIGZEF-GFCCVEGCSA-N 0 1 266.728 2.701 20 30 CFEDMN Cc1ccc(C[NH2+][C@@H](C(=O)[O-])c2cccc(C#N)c2)s1 ZINC000832933709 601301443 /nfs/dbraw/zinc/30/14/43/601301443.db2.gz ILMRIJXHPKAGDC-CQSZACIVSA-N 0 1 286.356 2.844 20 30 CFEDMN CC(C)C[N@H+](CCC#N)Cc1ccsc1C(=O)[O-] ZINC000110956475 601828732 /nfs/dbraw/zinc/82/87/32/601828732.db2.gz PKEBRESGXIPOKJ-UHFFFAOYSA-N 0 1 266.366 2.818 20 30 CFEDMN CC(C)C[N@@H+](CCC#N)Cc1ccsc1C(=O)[O-] ZINC000110956475 601828733 /nfs/dbraw/zinc/82/87/33/601828733.db2.gz PKEBRESGXIPOKJ-UHFFFAOYSA-N 0 1 266.366 2.818 20 30 CFEDMN N#Cc1cc(C[N@@H+]2CCCC[C@@H]2CC(=O)[O-])ccc1F ZINC000300454839 602235066 /nfs/dbraw/zinc/23/50/66/602235066.db2.gz VYMUSLPPNARSPO-CYBMUJFWSA-N 0 1 276.311 2.527 20 30 CFEDMN CC(C)[C@H](CC[N@@H+](C)Cc1ccc(C#N)cc1)NC(=O)[O-] ZINC000824105315 603826968 /nfs/dbraw/zinc/82/69/68/603826968.db2.gz RYOQAMJFMPLYSH-HNNXBMFYSA-N 0 1 289.379 2.672 20 30 CFEDMN C#CCN(C(=O)[C@@H]1c2cn[nH]c2CC[C@H]1C)C1CCCCC1 ZINC000900411868 620672084 /nfs/dbraw/zinc/67/20/84/620672084.db2.gz GRSJHOMCBKWVKT-DYVFJYSZSA-N 0 1 299.418 2.870 20 30 CFEDMN C[N@@H+](Cc1ccccc1C(C)(C)C#N)C(C)(C)C(=O)[O-] ZINC000830855661 604673027 /nfs/dbraw/zinc/67/30/27/604673027.db2.gz DJUMFAQOEBLNDL-UHFFFAOYSA-N 0 1 274.364 2.783 20 30 CFEDMN C=CC[N@@H+](Cc1ccc(C(=O)[O-])cc1F)C(C)C ZINC000833374242 604752195 /nfs/dbraw/zinc/75/21/95/604752195.db2.gz CZVNIFYVPVDKFI-UHFFFAOYSA-N 0 1 251.301 2.920 20 30 CFEDMN C[C@H]1CC(N=Nc2ccc(C(=O)[O-])c(Cl)c2)C[N@H+]1C ZINC000833586493 605157071 /nfs/dbraw/zinc/15/70/71/605157071.db2.gz GDTISCXIAMPKLM-QMMMGPOBSA-N 0 1 281.743 2.530 20 30 CFEDMN C#CC[N@@H+](CC)[C@@H](C(=O)[O-])c1ccccc1C(F)(F)F ZINC000833364427 605265663 /nfs/dbraw/zinc/26/56/63/605265663.db2.gz MDTBIFLMMPLCKX-GFCCVEGCSA-N 0 1 285.265 2.786 20 30 CFEDMN C#CC[N@H+](CC)[C@@H](C(=O)[O-])c1ccccc1C(F)(F)F ZINC000833364427 605265664 /nfs/dbraw/zinc/26/56/64/605265664.db2.gz MDTBIFLMMPLCKX-GFCCVEGCSA-N 0 1 285.265 2.786 20 30 CFEDMN C#Cc1cccc(N(CC)C(=O)CN(C)C2CCC2)c1 ZINC000900563223 620688948 /nfs/dbraw/zinc/68/89/48/620688948.db2.gz PSIMUOGXQONNJN-UHFFFAOYSA-N 0 1 270.376 2.505 20 30 CFEDMN CC(C)N(Cc1cn(CC2(C#N)CCC2)nn1)C(C)C ZINC000900569612 620689562 /nfs/dbraw/zinc/68/95/62/620689562.db2.gz QFEDTYSKAYHUOB-UHFFFAOYSA-N 0 1 275.400 2.591 20 30 CFEDMN C=C(Cl)Cn1cc(CN(C(C)C)C(C)C)nn1 ZINC000900580466 620690854 /nfs/dbraw/zinc/69/08/54/620690854.db2.gz LGJNMCRSSUGUJW-UHFFFAOYSA-N 0 1 256.781 2.649 20 30 CFEDMN C#CCCCCCCn1cc([C@@H](N)c2ccccc2)nn1 ZINC000900641467 620695501 /nfs/dbraw/zinc/69/55/01/620695501.db2.gz VIGXEEYOBDJHOH-KRWDZBQOSA-N 0 1 282.391 2.910 20 30 CFEDMN CCCCCCNC(=O)C(C#N)C(=O)C(CC)CC ZINC000916875683 624289948 /nfs/dbraw/zinc/28/99/48/624289948.db2.gz HMIJPGIJSDAYFT-CYBMUJFWSA-N 0 1 266.385 2.828 20 30 CFEDMN C#CCCN1CC[C@@H](C)[C@H](NC(=O)C2(F)CCCCC2)C1 ZINC000968506097 613015116 /nfs/dbraw/zinc/01/51/16/613015116.db2.gz RYZUFXCSNKDMOX-HUUCEWRRSA-N 0 1 294.414 2.509 20 30 CFEDMN C#CCCN1C[C@H](NC(=O)C2(F)CCCCC2)C(C)(C)C1 ZINC000977418271 613037037 /nfs/dbraw/zinc/03/70/37/613037037.db2.gz JRMNOGXNRIVHTF-AWEZNQCLSA-N 0 1 294.414 2.509 20 30 CFEDMN C#CCN(C)[C@@H]1CCN(C(=O)C[C@H](C)C2CCCCC2)C1 ZINC000972537429 613081389 /nfs/dbraw/zinc/08/13/89/613081389.db2.gz SUXSZFAMQKHMHH-DOTOQJQBSA-N 0 1 290.451 2.759 20 30 CFEDMN C#CCN(C)[C@H]1CCN(C(=O)CC(C)(C)c2ccccc2)C1 ZINC000980484256 613089294 /nfs/dbraw/zinc/08/92/94/613089294.db2.gz YIRBSLDTUUNXQG-KRWDZBQOSA-N 0 1 298.430 2.520 20 30 CFEDMN C#CCN(C)[C@H]1CCN(C(=O)c2ccc3sccc3c2)C1 ZINC000972652065 613095371 /nfs/dbraw/zinc/09/53/71/613095371.db2.gz XYSIBXWMJVPJOR-HNNXBMFYSA-N 0 1 298.411 2.681 20 30 CFEDMN C#CCN1CCCCC[C@@H]1CNC(=O)C1CCCCCC1 ZINC000968777487 613145322 /nfs/dbraw/zinc/14/53/22/613145322.db2.gz GOJHVILITOQEAY-QGZVFWFLSA-N 0 1 290.451 2.951 20 30 CFEDMN C#CCN1CCCCC[C@@H]1CNC(=O)[C@@H]1CCC(C)(C)C1 ZINC000969018118 613145473 /nfs/dbraw/zinc/14/54/73/613145473.db2.gz WOVGGQHUAWJAMS-HZPDHXFCSA-N 0 1 290.451 2.807 20 30 CFEDMN C#CCN1CCCCC[C@@H]1CNC(=O)C1CCCCC1 ZINC000968718739 613145625 /nfs/dbraw/zinc/14/56/25/613145625.db2.gz CQBMXUJDDXSSEI-MRXNPFEDSA-N 0 1 276.424 2.561 20 30 CFEDMN C#Cc1ccc(C(=O)N(CC)C2CN(CCC(=C)C)C2)cc1 ZINC000951117574 613166390 /nfs/dbraw/zinc/16/63/90/613166390.db2.gz YOVQDUMHZYYTAF-UHFFFAOYSA-N 0 1 296.414 2.780 20 30 CFEDMN C#CCN1CC[C@@H](NC(=O)c2ccoc2C(C)C)C[C@@H]1C ZINC000948072708 613239046 /nfs/dbraw/zinc/23/90/46/613239046.db2.gz BIHYNRAXUDOVFP-UONOGXRCSA-N 0 1 288.391 2.619 20 30 CFEDMN C#CCN1CC[C@@H](NC(=O)c2coc3ccccc23)[C@H](C)C1 ZINC000945941824 613242881 /nfs/dbraw/zinc/24/28/81/613242881.db2.gz HETHDIXWOGMSGB-CZUORRHYSA-N 0 1 296.370 2.506 20 30 CFEDMN C#CCN1CC[C@@H](NC(=O)c2csc(C)c2)C(C)(C)C1 ZINC000941099035 613243428 /nfs/dbraw/zinc/24/34/28/613243428.db2.gz JQMRVMGJUIFOKY-CQSZACIVSA-N 0 1 290.432 2.520 20 30 CFEDMN C=C(C)CCN1CCN(C(=O)[C@@H]2CC23CCCC3)CC1 ZINC000957078671 613259155 /nfs/dbraw/zinc/25/91/55/613259155.db2.gz FNQXPPSCIOMBHC-HNNXBMFYSA-N 0 1 276.424 2.677 20 30 CFEDMN C=C(C)CCN1CCN(C(=O)c2ccc(F)cc2C)CC1 ZINC000957403740 613261527 /nfs/dbraw/zinc/26/15/27/613261527.db2.gz KIQDLVCONMADLX-UHFFFAOYSA-N 0 1 290.382 2.858 20 30 CFEDMN C#CCN1CC[C@H](NC(=O)c2csc(Cl)c2)C[C@H]1C ZINC000947776808 613276632 /nfs/dbraw/zinc/27/66/32/613276632.db2.gz YMTACDZXQBOWRC-PWSUYJOCSA-N 0 1 296.823 2.617 20 30 CFEDMN C#CCN1CC[C@H](NC(=O)c2cscc2C)C(C)(C)C1 ZINC000940658708 613277647 /nfs/dbraw/zinc/27/76/47/613277647.db2.gz QOKPMDXOVATPGV-AWEZNQCLSA-N 0 1 290.432 2.520 20 30 CFEDMN C#CCN1C[C@@H](NC(=O)[C@@H]2CCCCC2(C)C)C(C)(C)C1 ZINC000977635098 613281705 /nfs/dbraw/zinc/28/17/05/613281705.db2.gz KLVUCMIVDOCQCR-LSDHHAIUSA-N 0 1 290.451 2.663 20 30 CFEDMN C=C(C)CN1CC([C@@H](C)NC(=O)c2sccc2F)C1 ZINC000969619594 613301373 /nfs/dbraw/zinc/30/13/73/613301373.db2.gz DEKWQTLVOMSZGM-SNVBAGLBSA-N 0 1 282.384 2.513 20 30 CFEDMN C=C(C)CN1CCCN(C(=O)[C@@H](F)c2ccccc2)CC1 ZINC000982041344 613309786 /nfs/dbraw/zinc/30/97/86/613309786.db2.gz QRGDIJDESAVSGA-INIZCTEOSA-N 0 1 290.382 2.808 20 30 CFEDMN C=C(C)CN1CCCN(C(=O)[C@H]2CCCC2(C)C)CC1 ZINC000981783331 613310703 /nfs/dbraw/zinc/31/07/03/613310703.db2.gz IDVIOMLOSLSDCG-OAHLLOKOSA-N 0 1 278.440 2.923 20 30 CFEDMN C=C(C)CN1CCCN(C(=O)[C@H]2CCC(C)(C)C2)CC1 ZINC000981906336 613310859 /nfs/dbraw/zinc/31/08/59/613310859.db2.gz JXZFGXMUAGBQEK-HNNXBMFYSA-N 0 1 278.440 2.923 20 30 CFEDMN C=C(C)CN1CCCN(C(=O)c2ccc(C)cc2F)CC1 ZINC000982026419 613311920 /nfs/dbraw/zinc/31/19/20/613311920.db2.gz NONXNMSRVTVLCQ-UHFFFAOYSA-N 0 1 290.382 2.858 20 30 CFEDMN C=C(C)CN1CC[C@@H](C)[C@H](NC(=O)c2ccc(F)s2)C1 ZINC000968695381 613325921 /nfs/dbraw/zinc/32/59/21/613325921.db2.gz OEMULHISSYSULF-VXGBXAGGSA-N 0 1 296.411 2.904 20 30 CFEDMN C=C(C)CN1CC[C@H](C)[C@@H](NC(=O)c2coc(C)c2)C1 ZINC000965951688 613333669 /nfs/dbraw/zinc/33/36/69/613333669.db2.gz HFJSQNXUXCKGJQ-WFASDCNBSA-N 0 1 276.380 2.604 20 30 CFEDMN C=C(C)CN1CCc2ccccc2[C@H]1CNC(=O)[C@H]1C[C@@H]1C ZINC000948946905 613337485 /nfs/dbraw/zinc/33/74/85/613337485.db2.gz RGBKIZQXQPZKIB-JCGIZDLHSA-N 0 1 298.430 2.934 20 30 CFEDMN C=C(C)CN1C[C@@H](NC(=O)c2cc(C)co2)C(C)(C)C1 ZINC000974940515 613338459 /nfs/dbraw/zinc/33/84/59/613338459.db2.gz AHOBTQZEEIFNPS-CQSZACIVSA-N 0 1 276.380 2.604 20 30 CFEDMN C=C(C)CN1C[C@@H](NC(=O)c2ccc(C)o2)C(C)(C)C1 ZINC000972786032 613338560 /nfs/dbraw/zinc/33/85/60/613338560.db2.gz OQACWEUCCTXCHD-CQSZACIVSA-N 0 1 276.380 2.604 20 30 CFEDMN C=C(C)CN1C[C@H](NC(=O)c2ccc(Cl)o2)C(C)(C)C1 ZINC000972814509 613342033 /nfs/dbraw/zinc/34/20/33/613342033.db2.gz WYUGIWFENNNKQF-LBPRGKRZSA-N 0 1 296.798 2.949 20 30 CFEDMN C=C(C)CN1C[C@H](NC(=O)c2cc(C)c(C)o2)C(C)(C)C1 ZINC000973039939 613342119 /nfs/dbraw/zinc/34/21/19/613342119.db2.gz OGBWBSRYMOVTNB-HNNXBMFYSA-N 0 1 290.407 2.913 20 30 CFEDMN C=C(Cl)CN1CC[C@H]([C@@H]2CCCN(C(=O)CC)C2)C1 ZINC000961071941 613379525 /nfs/dbraw/zinc/37/95/25/613379525.db2.gz XNSGTKWENJRHEZ-KGLIPLIRSA-N 0 1 284.831 2.709 20 30 CFEDMN C=C(Cl)CN[C@@H]1CCN(C(=O)C[C@H]2CC=CCC2)C1 ZINC000969597143 613384850 /nfs/dbraw/zinc/38/48/50/613384850.db2.gz NOULRYQXPJHMFT-UONOGXRCSA-N 0 1 282.815 2.676 20 30 CFEDMN C=C(Cl)CN[C@@H]1CCN(C(=O)[C@H]2CC3CCC2CC3)C1 ZINC000970804237 613385176 /nfs/dbraw/zinc/38/51/76/613385176.db2.gz PEKUFVWCMWVWFG-CVSAEHQPSA-N 0 1 296.842 2.756 20 30 CFEDMN C=C(Cl)CN[C@@H]1CCN(C(=O)[C@@]2(C)CC=CCC2)C1 ZINC000968782795 613385224 /nfs/dbraw/zinc/38/52/24/613385224.db2.gz ATHGOVPJXHCZCV-HIFRSBDPSA-N 0 1 282.815 2.676 20 30 CFEDMN C=C(Cl)CN[C@@H]1CCN(C(=O)c2ccc(Cl)cc2)C1 ZINC000970542060 613385731 /nfs/dbraw/zinc/38/57/31/613385731.db2.gz KSTXOVAXEALQLK-CYBMUJFWSA-N 0 1 299.201 2.897 20 30 CFEDMN C=C1CCC(C(=O)N2CCN(C[C@H](C)CC)CC2)CC1 ZINC000950023735 613404749 /nfs/dbraw/zinc/40/47/49/613404749.db2.gz YDQWSAOHKYVFAV-CQSZACIVSA-N 0 1 278.440 2.923 20 30 CFEDMN C=CCCN1CCN(C(=O)[C@H]2CCCC(F)(F)C2)CC1 ZINC000950446739 613507457 /nfs/dbraw/zinc/50/74/57/613507457.db2.gz FGVUVYNVVVMDIL-ZDUSSCGKSA-N 0 1 286.366 2.532 20 30 CFEDMN C=CCCN1CCN(C(=O)[C@H](C)c2ccccc2F)CC1 ZINC000952306773 613507481 /nfs/dbraw/zinc/50/74/81/613507481.db2.gz JRRJPJSJTFRPCJ-CQSZACIVSA-N 0 1 290.382 2.650 20 30 CFEDMN C=CCCN1CCN(C(=O)c2c(C)cccc2Cl)CC1 ZINC000950018623 613509108 /nfs/dbraw/zinc/50/91/08/613509108.db2.gz MNCGBPPDNUMCNK-UHFFFAOYSA-N 0 1 292.810 2.982 20 30 CFEDMN C=CCCN1CCN(C(=O)c2cc3sccc3[nH]2)CC1 ZINC000957065373 613510456 /nfs/dbraw/zinc/51/04/56/613510456.db2.gz MDSBUHYLPSNWDW-UHFFFAOYSA-N 0 1 289.404 2.563 20 30 CFEDMN C=CCCN1CCN(C(=O)c2ccnc3ccccc32)CC1 ZINC000949163368 613511770 /nfs/dbraw/zinc/51/17/70/613511770.db2.gz CEPLCAVPYCOSRI-UHFFFAOYSA-N 0 1 295.386 2.569 20 30 CFEDMN CC#CCN1CC[C@@H](C)[C@H](NC(=O)C(C)=C2CCCC2)C1 ZINC000965891209 613574317 /nfs/dbraw/zinc/57/43/17/613574317.db2.gz SFYHJGZVFMUFKH-RHSMWYFYSA-N 0 1 288.435 2.727 20 30 CFEDMN CC#CCN1C[C@H](NC(=O)C2C(C)(C)C2(C)C)C(C)(C)C1 ZINC000972999139 613620144 /nfs/dbraw/zinc/62/01/44/613620144.db2.gz SUWCUPXYIUCWJO-ZDUSSCGKSA-N 0 1 290.451 2.519 20 30 CFEDMN C=CCN1CC([C@@H](C)NC(=O)C2CC(c3ccccc3)C2)C1 ZINC000970962829 613661277 /nfs/dbraw/zinc/66/12/77/613661277.db2.gz ZIZOOSMULSHMMD-ODIFPOPNSA-N 0 1 298.430 2.803 20 30 CFEDMN C=CCN1CC([C@@H](C)NC(=O)c2c(C)cccc2C)C1 ZINC000970473748 613663345 /nfs/dbraw/zinc/66/33/45/613663345.db2.gz REYMQHMXOYXOLN-CQSZACIVSA-N 0 1 272.392 2.540 20 30 CFEDMN C=CCN1CC([C@@H](C)NC(=O)c2c(C)csc2Cl)C1 ZINC000970803621 613663567 /nfs/dbraw/zinc/66/35/67/613663567.db2.gz MHPCGPXBMNIGFB-SNVBAGLBSA-N 0 1 298.839 2.946 20 30 CFEDMN C=CCN1CC([C@@H](C)NC(=O)c2ccc(Cl)c(F)c2)C1 ZINC000970483714 613665364 /nfs/dbraw/zinc/66/53/64/613665364.db2.gz VHUMUGAFGIYIQV-SNVBAGLBSA-N 0 1 296.773 2.715 20 30 CFEDMN C=CCN1CC([C@@H](C)NC(=O)c2occc2C(C)C)C1 ZINC000970325852 613668057 /nfs/dbraw/zinc/66/80/57/613668057.db2.gz KJLPVPUQGZTSIB-GFCCVEGCSA-N 0 1 276.380 2.639 20 30 CFEDMN C=CCN1CC([C@H](C)NC(=O)[C@@H]2C[C@]2(C)c2ccccc2)C1 ZINC000970181827 613669656 /nfs/dbraw/zinc/66/96/56/613669656.db2.gz IFSPGKXVMQOJGZ-UCLAIMLFSA-N 0 1 298.430 2.587 20 30 CFEDMN C=CCN1CC([C@H](C)NC(=O)[C@H]2CCC(C)=C(C)C2)C1 ZINC000969740153 613669666 /nfs/dbraw/zinc/66/96/66/613669666.db2.gz MJXHDOBLQUTOKL-GJZGRUSLSA-N 0 1 276.424 2.745 20 30 CFEDMN C=CCN1CC([C@H](C)NC(=O)c2cccc(Cl)c2C)C1 ZINC000969720643 613671980 /nfs/dbraw/zinc/67/19/80/613671980.db2.gz ILSUOHRORPEHFU-LBPRGKRZSA-N 0 1 292.810 2.885 20 30 CFEDMN C=CCN1CC([C@H](C)NC(=O)c2cccc(F)c2Cl)C1 ZINC000970488520 613672038 /nfs/dbraw/zinc/67/20/38/613672038.db2.gz OJFNYJRLNODTKR-JTQLQIEISA-N 0 1 296.773 2.715 20 30 CFEDMN C=CCN1CCCN(C(=O)C2[C@@H]3CCCCCC[C@@H]23)CC1 ZINC000982025125 613688252 /nfs/dbraw/zinc/68/82/52/613688252.db2.gz YILZXOSIDDGUAG-HZPDHXFCSA-N 0 1 290.451 2.923 20 30 CFEDMN C=CCN1CCCN(C(=O)Cc2ccc(CC)cc2)CC1 ZINC000982045160 613689946 /nfs/dbraw/zinc/68/99/46/613689946.db2.gz LPGAVEFYVOHSAE-UHFFFAOYSA-N 0 1 286.419 2.512 20 30 CFEDMN C=CCN1CCCN(C(=O)C[C@H]2CCCC2(F)F)CC1 ZINC000981821872 613690106 /nfs/dbraw/zinc/69/01/06/613690106.db2.gz TWHBZCCGRUETBC-CYBMUJFWSA-N 0 1 286.366 2.532 20 30 CFEDMN C=CCN1CCCN(C(=O)[C@H](c2ccccc2)C2CC2)CC1 ZINC000981615654 613693303 /nfs/dbraw/zinc/69/33/03/613693303.db2.gz VKTUNPKZYFBCNP-GOSISDBHSA-N 0 1 298.430 2.901 20 30 CFEDMN C=CCN1CCCN(C(=O)[C@H]2CCCC[C@@H]2C)CC1 ZINC000981841363 613693408 /nfs/dbraw/zinc/69/34/08/613693408.db2.gz LGKIGIABQMSBGZ-GJZGRUSLSA-N 0 1 264.413 2.533 20 30 CFEDMN C=CCN1CCCN(C(=O)c2cc[nH]c2C2CCC2)CC1 ZINC000981954977 613697308 /nfs/dbraw/zinc/69/73/08/613697308.db2.gz KPQUJKILLWBLBX-UHFFFAOYSA-N 0 1 287.407 2.616 20 30 CFEDMN C=CCN1CC[C@@H](C)[C@H](NC(=O)C2(F)CCCCC2)C1 ZINC000968506585 613732368 /nfs/dbraw/zinc/73/23/68/613732368.db2.gz UWGTZXIWZUQTDI-ZIAGYGMSSA-N 0 1 282.403 2.671 20 30 CFEDMN C=CCN1CC[C@@H](C)[C@H](NC(=O)c2c(C)cccc2F)C1 ZINC000968690939 613733620 /nfs/dbraw/zinc/73/36/20/613733620.db2.gz CEBSSKNVXLMDMG-IUODEOHRSA-N 0 1 290.382 2.760 20 30 CFEDMN C=CCN1CC[C@@H](C)[C@H](NC(=O)c2cc(C)c(CC)o2)C1 ZINC000968541232 613733659 /nfs/dbraw/zinc/73/36/59/613733659.db2.gz ZLBHOVKBWLBAOY-TZMCWYRMSA-N 0 1 290.407 2.777 20 30 CFEDMN C=CCN1CC[C@@H](C)[C@H](NC(=O)c2ccc(F)cc2F)C1 ZINC000968607541 613734407 /nfs/dbraw/zinc/73/44/07/613734407.db2.gz VZUIAOZZEUVORB-IAQYHMDHSA-N 0 1 294.345 2.591 20 30 CFEDMN C=CCN1CC[C@@H](C)[C@H](NC(=O)c2cc(F)ccc2F)C1 ZINC000966723677 613734548 /nfs/dbraw/zinc/73/45/48/613734548.db2.gz ONCMLEKXUJFPSL-IAQYHMDHSA-N 0 1 294.345 2.591 20 30 CFEDMN C=CCN1CC[C@@H](C)[C@H](NC(=O)c2cccn2C(C)C)C1 ZINC000968660732 613735534 /nfs/dbraw/zinc/73/55/34/613735534.db2.gz NGTCCILRMMMDJQ-HUUCEWRRSA-N 0 1 289.423 2.695 20 30 CFEDMN C=CCN1CC[C@H](C)[C@@H](NC(=O)C23CCC(CC2)C3)C1 ZINC000966947412 613767196 /nfs/dbraw/zinc/76/71/96/613767196.db2.gz YUWDVOOZVKVIOB-BOLLXYOYSA-N 0 1 276.424 2.579 20 30 CFEDMN C=CCN1CC[C@H](C)[C@@H](NC(=O)c2cc(C)cc(C)c2)C1 ZINC000968587656 613768689 /nfs/dbraw/zinc/76/86/89/613768689.db2.gz DLPVVSHTVCBQQD-RDJZCZTQSA-N 0 1 286.419 2.930 20 30 CFEDMN C=CCN1CC[C@H](C)[C@@H](NC(=O)c2cccc3[nH]ccc32)C1 ZINC000968345678 613769581 /nfs/dbraw/zinc/76/95/81/613769581.db2.gz NZWRYEXLHBKPDX-GUYCJALGSA-N 0 1 297.402 2.794 20 30 CFEDMN C=CCN1CC[C@H](C)[C@H](NC(=O)C(C)(C)C2CCC2)C1 ZINC000967501426 613771581 /nfs/dbraw/zinc/77/15/81/613771581.db2.gz UJODOAGKYMYBJH-DZGCQCFKSA-N 0 1 278.440 2.825 20 30 CFEDMN C=CCN1C[C@@H](NC(=O)[C@@H](F)c2ccccc2)C(C)(C)C1 ZINC000975081228 613807783 /nfs/dbraw/zinc/80/77/83/613807783.db2.gz FXLJVFXGTWVYSP-CABCVRRESA-N 0 1 290.382 2.710 20 30 CFEDMN C=CCN1C[C@@H](NC(=O)[C@H]2CCCC23CC3)C(C)(C)C1 ZINC000974739577 613808217 /nfs/dbraw/zinc/80/82/17/613808217.db2.gz KFWPNINUVWAXSC-ZIAGYGMSSA-N 0 1 276.424 2.579 20 30 CFEDMN C=CCN1C[C@@H](NC(=O)c2cc(C)cc(F)c2)C(C)(C)C1 ZINC000975068224 613809174 /nfs/dbraw/zinc/80/91/74/613809174.db2.gz VLGMKGOBGLYSFV-OAHLLOKOSA-N 0 1 290.382 2.760 20 30 CFEDMN C=CCN1C[C@@H](NC(=O)c2ccc(C(F)F)o2)C(C)(C)C1 ZINC000977544514 613809910 /nfs/dbraw/zinc/80/99/10/613809910.db2.gz ZLMOBPIEFATTMZ-GFCCVEGCSA-N 0 1 298.333 2.843 20 30 CFEDMN C=CCN1C[C@@H](NC(=O)c2cccc3c2CCC3)C(C)(C)C1 ZINC000977644558 613811171 /nfs/dbraw/zinc/81/11/71/613811171.db2.gz ZQZLWQNIENVTGG-QGZVFWFLSA-N 0 1 298.430 2.802 20 30 CFEDMN C=CCN1C[C@H](NC(=O)[C@@H]2C[C@@H]3CCCC[C@H]23)C(C)(C)C1 ZINC000974849907 613827646 /nfs/dbraw/zinc/82/76/46/613827646.db2.gz AXSBUTLMIKXGEB-JONQDZQNSA-N 0 1 290.451 2.825 20 30 CFEDMN C=CCN1C[C@H](NC(=O)c2ccc(C)cc2)C(C)(C)C1 ZINC000977532934 613828629 /nfs/dbraw/zinc/82/86/29/613828629.db2.gz OWZXPBSQWLWDQC-HNNXBMFYSA-N 0 1 272.392 2.621 20 30 CFEDMN C=CCN1C[C@H](NC(=O)c2cc(C)sc2C)C(C)(C)C1 ZINC000974801667 613828781 /nfs/dbraw/zinc/82/87/81/613828781.db2.gz YELUQMHDBGUGMU-AWEZNQCLSA-N 0 1 292.448 2.991 20 30 CFEDMN C=CCN1C[C@H](NC(=O)c2cccn2C(C)C)C(C)(C)C1 ZINC000977622511 613829209 /nfs/dbraw/zinc/82/92/09/613829209.db2.gz NSENLDQNKYLHTB-HNNXBMFYSA-N 0 1 289.423 2.695 20 30 CFEDMN C=CCN1C[C@H](NC(=O)c2csc(C)c2C)C(C)(C)C1 ZINC000974619689 613830090 /nfs/dbraw/zinc/83/00/90/613830090.db2.gz IODPZLVTTGJXKR-AWEZNQCLSA-N 0 1 292.448 2.991 20 30 CFEDMN CC(C)C(=O)N[C@@H]1CCN(Cc2ccccc2C#N)[C@@H](C)C1 ZINC000947069787 613926548 /nfs/dbraw/zinc/92/65/48/613926548.db2.gz CIXFUPCAEHFRMY-WMLDXEAASA-N 0 1 299.418 2.683 20 30 CFEDMN CC(C)C(=O)N[C@@H]1CN(Cc2ccc(C#N)cc2)CC[C@H]1C ZINC000965247562 613936831 /nfs/dbraw/zinc/93/68/31/613936831.db2.gz PFPZADPOKSRDGD-RHSMWYFYSA-N 0 1 299.418 2.541 20 30 CFEDMN CCCCCCCN(C)[C@H](C)CS(=O)(=O)CC ZINC000158144006 618032817 /nfs/dbraw/zinc/03/28/17/618032817.db2.gz TZJXOPKEIJWVCI-CYBMUJFWSA-N 0 1 263.447 2.712 20 30 CFEDMN C[C@@H](NCc1ccc(OCC#N)cc1)c1ccccn1 ZINC000034992558 617607414 /nfs/dbraw/zinc/60/74/14/617607414.db2.gz VZDBNXCBTOILOX-CYBMUJFWSA-N 0 1 267.332 2.835 20 30 CFEDMN C=CC[C@H]1CCN1C(=O)c1cc(-c2ccc(OC)cc2)[nH]n1 ZINC000890555384 617648202 /nfs/dbraw/zinc/64/82/02/617648202.db2.gz JCXWJGBZCZCIBH-ZDUSSCGKSA-N 0 1 297.358 2.876 20 30 CFEDMN C=CC[N@H+]1CC[C@@]2(NC(=O)c3cc(CC)ccn3)CCC[C@H]12 ZINC000990867265 620741878 /nfs/dbraw/zinc/74/18/78/620741878.db2.gz AFIYBUHCIGYSKF-WMZOPIPTSA-N 0 1 299.418 2.557 20 30 CFEDMN CN1CCc2cc(C=NOC/C=C/Cl)ccc21 ZINC000811672423 617718713 /nfs/dbraw/zinc/71/87/13/617718713.db2.gz YMBJRDMNZKJCIZ-TUBCEFTJSA-N 0 1 250.729 2.782 20 30 CFEDMN CCCCCCCCNC(=O)NCc1cc(N)ccn1 ZINC000891712762 617723396 /nfs/dbraw/zinc/72/33/96/617723396.db2.gz UQDQRDXCMWQEKE-UHFFFAOYSA-N 0 1 278.400 2.824 20 30 CFEDMN C#C[C@H]1CCCCN1C(=O)c1cc(-c2cccs2)[nH]n1 ZINC000890647988 617731650 /nfs/dbraw/zinc/73/16/50/617731650.db2.gz PUECRKHFEGPHFV-NSHDSACASA-N 0 1 285.372 2.766 20 30 CFEDMN O=C(/C=C\c1cccc2c1OCCO2)c1ccc(O)cc1O ZINC000255013485 617747805 /nfs/dbraw/zinc/74/78/05/617747805.db2.gz QXDLPZQCQAVAOA-DAXSKMNVSA-N 0 1 298.294 2.765 20 30 CFEDMN C#CCON=C1CN(Cc2ccccc2)CC[C@H]1C ZINC000812235812 617748030 /nfs/dbraw/zinc/74/80/30/617748030.db2.gz AWAHENRIGALEKZ-CQSZACIVSA-N 0 1 256.349 2.534 20 30 CFEDMN Cc1cccc(NC(=O)C(C#N)C(=O)[C@H]2C[C@@H]2C2CC2)c1 ZINC000176091049 617779426 /nfs/dbraw/zinc/77/94/26/617779426.db2.gz IYCORDXSIGBKAN-QLFBSQMISA-N 0 1 282.343 2.689 20 30 CFEDMN N#CC1CCN(Cc2ccc3c(c2)CCCO3)CC1 ZINC000891852253 617787053 /nfs/dbraw/zinc/78/70/53/617787053.db2.gz JROIMQRIHLSPIT-UHFFFAOYSA-N 0 1 256.349 2.747 20 30 CFEDMN N#Cc1ccc(O)c(NC(=O)c2cccc3[nH]ccc32)c1 ZINC000176181197 617843319 /nfs/dbraw/zinc/84/33/19/617843319.db2.gz AZVKOHAOQXYPAZ-UHFFFAOYSA-N 0 1 277.283 2.997 20 30 CFEDMN Fc1ccc(N=NCc2cnn(CC3CCC3)c2)nc1 ZINC000901186345 620759080 /nfs/dbraw/zinc/75/90/80/620759080.db2.gz XRMFHOGWOBYAMC-UHFFFAOYSA-N 0 1 273.315 2.663 20 30 CFEDMN C[C@H]1CC(N=Nc2ccnn2C)CN(Cc2ccccc2)C1 ZINC000901220864 620765535 /nfs/dbraw/zinc/76/55/35/620765535.db2.gz USBOPRVHJNISCC-AWEZNQCLSA-N 0 1 297.406 2.730 20 30 CFEDMN CC(N=Nc1ccncc1Cl)c1ccnn1C1CCC1 ZINC000901198945 620763451 /nfs/dbraw/zinc/76/34/51/620763451.db2.gz QSGXAIRWHXDTNU-UHFFFAOYSA-N 0 1 289.770 2.915 20 30 CFEDMN C=CCCCCCN(C)Cc1c2c(nn1C)CCOC2 ZINC000892068543 617935538 /nfs/dbraw/zinc/93/55/38/617935538.db2.gz BAINBCPRSGPRBV-UHFFFAOYSA-N 0 1 277.412 2.671 20 30 CFEDMN COc1cn(C)nc1C(C)N=Nc1c(C)cccc1F ZINC000901219600 620767372 /nfs/dbraw/zinc/76/73/72/620767372.db2.gz GYNCKDIYEFAFCH-UHFFFAOYSA-N 0 1 276.315 2.712 20 30 CFEDMN CN(CCc1nccs1)Cc1csc(C#N)c1 ZINC000892185549 617988500 /nfs/dbraw/zinc/98/85/00/617988500.db2.gz NSVITKKSWCQOOR-UHFFFAOYSA-N 0 1 263.391 2.751 20 30 CFEDMN CCn1cc(C=NNc2cccc(Cl)n2)c(C)n1 ZINC000901244996 620770897 /nfs/dbraw/zinc/77/08/97/620770897.db2.gz AQJGVPPVUYJECM-UHFFFAOYSA-N 0 1 263.732 2.706 20 30 CFEDMN CCC(N=Nc1ccc([N+](=O)[O-])cc1C)c1ccn(C)n1 ZINC000807990302 618050770 /nfs/dbraw/zinc/05/07/70/618050770.db2.gz XHDBLKXEZMEPJJ-UHFFFAOYSA-N 0 1 287.323 2.863 20 30 CFEDMN Cc1cccc2nc(CNC(=O)C#Cc3ccccc3)[nH]c21 ZINC000160444349 618066597 /nfs/dbraw/zinc/06/65/97/618066597.db2.gz YVFFFVUUXKFXJT-UHFFFAOYSA-N 0 1 289.338 2.539 20 30 CFEDMN CN(C)c1ccc(C(N)=NOCc2ccccc2)cc1 ZINC000048707014 618074446 /nfs/dbraw/zinc/07/44/46/618074446.db2.gz JUKLKXVPVKOQAA-UHFFFAOYSA-N 0 1 269.348 2.590 20 30 CFEDMN Cc1nn(C(C)C)c(C)c1C=NNc1ccc(C#N)cn1 ZINC000901276945 620775490 /nfs/dbraw/zinc/77/54/90/620775490.db2.gz ZFIMNMZESFXZQQ-UHFFFAOYSA-N 0 1 282.351 2.794 20 30 CFEDMN COc1ccc(C(=O)/C=C\c2cncs2)c(O)c1 ZINC000255204872 618094575 /nfs/dbraw/zinc/09/45/75/618094575.db2.gz CPTPRXQQNLTSIS-HYXAFXHYSA-N 0 1 261.302 2.753 20 30 CFEDMN Cc1nnc(NN=Cc2ccc(C(F)F)c(F)c2)n1C ZINC000901264362 620778120 /nfs/dbraw/zinc/77/81/20/620778120.db2.gz BLHOAHAXBUUOSV-UHFFFAOYSA-N 0 1 283.257 2.646 20 30 CFEDMN Cc1csc(C[C@@H]2CCN(Cc3ccc(C#N)o3)C2)n1 ZINC000933127356 618161463 /nfs/dbraw/zinc/16/14/63/618161463.db2.gz XJQPOPQXSVWXDU-LBPRGKRZSA-N 0 1 287.388 2.981 20 30 CFEDMN N#CC1(CCC[N@H+]2CCOC[C@@H]2CC2CC2)CCOCC1 ZINC000933208438 618170166 /nfs/dbraw/zinc/17/01/66/618170166.db2.gz JELGUEDQELXBOR-INIZCTEOSA-N 0 1 292.423 2.588 20 30 CFEDMN N#Cc1ccc(O)c(NC(=O)c2ccc(F)cc2F)c1 ZINC000176819824 618205773 /nfs/dbraw/zinc/20/57/73/618205773.db2.gz DSZSRGSBWDAIMX-UHFFFAOYSA-N 0 1 274.226 2.794 20 30 CFEDMN CON=Cc1ccc(C(=O)C(C#N)c2nc(C)cs2)cc1 ZINC000255359304 618212093 /nfs/dbraw/zinc/21/20/93/618212093.db2.gz MJGKJXNDPMESFE-ZDUSSCGKSA-N 0 1 299.355 2.922 20 30 CFEDMN C#CCN(CC)Cc1cc(Br)cs1 ZINC000308440267 618216923 /nfs/dbraw/zinc/21/69/23/618216923.db2.gz YSPPAJGRISFDQI-UHFFFAOYSA-N 0 1 258.184 2.966 20 30 CFEDMN COC(=O)c1ccc(/C=C/C(=O)c2cc(F)ccc2O)o1 ZINC000176955528 618246717 /nfs/dbraw/zinc/24/67/17/618246717.db2.gz XWWLKZNQFTXBPG-ZZXKWVIFSA-N 0 1 290.246 2.807 20 30 CFEDMN C=CCN(Cc1c2c(nn1C)CCSC2)C(C)C ZINC000893952137 618251503 /nfs/dbraw/zinc/25/15/03/618251503.db2.gz BXOZABTZULZBFA-UHFFFAOYSA-N 0 1 265.426 2.606 20 30 CFEDMN O=C(/C=C\c1cnc2ccccn12)c1ccccc1O ZINC000255697741 618265724 /nfs/dbraw/zinc/26/57/24/618265724.db2.gz WHXLKDGDVPPEOC-HJWRWDBZSA-N 0 1 264.284 2.936 20 30 CFEDMN CC(C)O[C@@H]1CC[N@@H+](Cc2csc(C#N)c2)C1 ZINC000895082699 618273835 /nfs/dbraw/zinc/27/38/35/618273835.db2.gz QJICYDOYSZYLDL-GFCCVEGCSA-N 0 1 250.367 2.619 20 30 CFEDMN CC(C)O[C@@H]1CCN(Cc2csc(C#N)c2)C1 ZINC000895082699 618273837 /nfs/dbraw/zinc/27/38/37/618273837.db2.gz QJICYDOYSZYLDL-GFCCVEGCSA-N 0 1 250.367 2.619 20 30 CFEDMN CCn1cc(C(=O)/C=C\c2cc(F)c(O)c(F)c2)cn1 ZINC000255752485 618276219 /nfs/dbraw/zinc/27/62/19/618276219.db2.gz BOEBORWWUHMEHA-ARJAWSKDSA-N 0 1 278.258 2.783 20 30 CFEDMN C=C(C)C[N@H+]1CCCC[C@H]1CNC(=O)c1ccoc1C ZINC001024314726 618292043 /nfs/dbraw/zinc/29/20/43/618292043.db2.gz LMQWNCKXDWJVSJ-AWEZNQCLSA-N 0 1 276.380 2.748 20 30 CFEDMN C=C(C)CN1CCCC[C@H]1CNC(=O)c1ccoc1C ZINC001024314726 618292045 /nfs/dbraw/zinc/29/20/45/618292045.db2.gz LMQWNCKXDWJVSJ-AWEZNQCLSA-N 0 1 276.380 2.748 20 30 CFEDMN CC#CCN1CCCC[C@H]1CNC(=O)C1CCCCC1 ZINC001024309261 618292714 /nfs/dbraw/zinc/29/27/14/618292714.db2.gz UVTWMRNULWVQRX-INIZCTEOSA-N 0 1 276.424 2.561 20 30 CFEDMN C#Cc1cccc(NC(=O)c2cn[nH]c2C2CC2)c1 ZINC000184216519 618292876 /nfs/dbraw/zinc/29/28/76/618292876.db2.gz IUEVQPFRONWSQA-UHFFFAOYSA-N 0 1 251.289 2.521 20 30 CFEDMN C=CC[N@@H+]1CCCC[C@H]1CNC(=O)c1ccc(Cl)o1 ZINC001024334108 618294918 /nfs/dbraw/zinc/29/49/18/618294918.db2.gz YPLBFCYLAGXJHS-NSHDSACASA-N 0 1 282.771 2.703 20 30 CFEDMN C=CCN1CCCC[C@H]1CNC(=O)c1ccc(Cl)o1 ZINC001024334108 618294919 /nfs/dbraw/zinc/29/49/19/618294919.db2.gz YPLBFCYLAGXJHS-NSHDSACASA-N 0 1 282.771 2.703 20 30 CFEDMN N#CC[C@@H](O)CNC1(c2ccc(C(F)(F)F)cc2)CC1 ZINC000930862688 618302206 /nfs/dbraw/zinc/30/22/06/618302206.db2.gz COZOUYWNLBNCOS-GFCCVEGCSA-N 0 1 284.281 2.559 20 30 CFEDMN CC#CCN1CCCC[C@@H]1CNC(=O)c1ccsc1C ZINC001024433895 618315010 /nfs/dbraw/zinc/31/50/10/618315010.db2.gz PRKCURKSYMSTSM-CQSZACIVSA-N 0 1 290.432 2.664 20 30 CFEDMN C#CCN1CCCC[C@H]1CNC(=O)[C@H]1CCC(C)=C(C)C1 ZINC001024455006 618319265 /nfs/dbraw/zinc/31/92/65/618319265.db2.gz IXTXJFXAGZKJGL-IRXDYDNUSA-N 0 1 288.435 2.727 20 30 CFEDMN COc1ccc(CN[C@@H]2CCc3cc(C#N)ccc32)o1 ZINC000894103389 618336891 /nfs/dbraw/zinc/33/68/91/618336891.db2.gz TWLIEPQDRMZTNN-OAHLLOKOSA-N 0 1 268.316 2.937 20 30 CFEDMN Cc1ccncc1C=NNc1ccccc1[N+](=O)[O-] ZINC000794452347 618347274 /nfs/dbraw/zinc/34/72/74/618347274.db2.gz VQSIYRWJWFKFMP-UHFFFAOYSA-N 0 1 256.265 2.744 20 30 CFEDMN N#C[C@@H](C(=O)Nc1ccccc1)C(=O)c1cnc(C2CC2)o1 ZINC000892495742 618386992 /nfs/dbraw/zinc/38/69/92/618386992.db2.gz SSWRTZWLZJZUEI-GFCCVEGCSA-N 0 1 295.298 2.513 20 30 CFEDMN N#CC(C(=O)Nc1ccccc1)C(=O)c1cnc(C2CC2)o1 ZINC000892495742 618386998 /nfs/dbraw/zinc/38/69/98/618386998.db2.gz SSWRTZWLZJZUEI-GFCCVEGCSA-N 0 1 295.298 2.513 20 30 CFEDMN N#C[C@@H](C(=O)C[C@@H]1C[C@H]1C1CC1)C(=O)NC1CCCCC1 ZINC000892496477 618387863 /nfs/dbraw/zinc/38/78/63/618387863.db2.gz YXIOTRICWSWYQU-QEJZJMRPSA-N 0 1 288.391 2.580 20 30 CFEDMN CCN(Cc1csc(C#N)c1)[C@H]1CCCOC1 ZINC000895154590 618400559 /nfs/dbraw/zinc/40/05/59/618400559.db2.gz ZCYSEORWQHWGKJ-LBPRGKRZSA-N 0 1 250.367 2.621 20 30 CFEDMN CCCCCCCNCc1ncc(C(=O)OC)s1 ZINC000894152425 618401306 /nfs/dbraw/zinc/40/13/06/618401306.db2.gz LQVKYVLOXDLOSB-UHFFFAOYSA-N 0 1 270.398 2.990 20 30 CFEDMN Cc1cc(C)c(/C=C\CN[C@H]2CCCN(O)C2=O)cc1C ZINC000895156948 618403136 /nfs/dbraw/zinc/40/31/36/618403136.db2.gz JFHQKBCQIIUOSI-LEXSJLIMSA-N 0 1 288.391 2.595 20 30 CFEDMN C=CCN1CCCC[C@H]1CNC(=O)c1ccn(CC)c1C ZINC001024617824 618420185 /nfs/dbraw/zinc/42/01/85/618420185.db2.gz LLLLRJYAVFTTMH-HNNXBMFYSA-N 0 1 289.423 2.587 20 30 CFEDMN C[C@H](CC#N)NC(=O)c1cccc2nc(C(F)F)[nH]c21 ZINC000931155970 618427569 /nfs/dbraw/zinc/42/75/69/618427569.db2.gz AALYEIBJMKBBJA-SSDOTTSWSA-N 0 1 278.262 2.532 20 30 CFEDMN CC#CCN1CCCC[C@@H]1CNC(=O)[C@@H]1C[C@H]1CC(C)C ZINC001024664863 618436919 /nfs/dbraw/zinc/43/69/19/618436919.db2.gz YJIAFFONZALSFT-BRWVUGGUSA-N 0 1 290.451 2.663 20 30 CFEDMN COc1ccc(CNCc2cnccc2C)cc1C#N ZINC000162645292 618439372 /nfs/dbraw/zinc/43/93/72/618439372.db2.gz PAYNOIYJNYHYPY-UHFFFAOYSA-N 0 1 267.332 2.560 20 30 CFEDMN N#Cc1cc(CN2CC[C@]3(CC3(F)F)C2)cs1 ZINC000895189319 618451313 /nfs/dbraw/zinc/45/13/13/618451313.db2.gz QFBSDJJDNASHRJ-NSHDSACASA-N 0 1 254.305 2.851 20 30 CFEDMN COCC1(NCc2cc(C#N)cnc2Cl)CCCC1 ZINC000877620517 618450169 /nfs/dbraw/zinc/45/01/69/618450169.db2.gz JFDLNBAEINIRSP-UHFFFAOYSA-N 0 1 279.771 2.655 20 30 CFEDMN C=CCN1CCCC[C@@H]1CNC(=O)c1csc(C)c1 ZINC001024710779 618450842 /nfs/dbraw/zinc/45/08/42/618450842.db2.gz YXTQLMFKXRHRLM-CQSZACIVSA-N 0 1 278.421 2.827 20 30 CFEDMN N#Cc1cc(C[N@@H+]2CC[C@]3(CC3(F)F)C2)cs1 ZINC000895189319 618451311 /nfs/dbraw/zinc/45/13/11/618451311.db2.gz QFBSDJJDNASHRJ-NSHDSACASA-N 0 1 254.305 2.851 20 30 CFEDMN C=CCN1CCCC[C@@H]1CNC(=O)c1csc(Cl)n1 ZINC001024745387 618459556 /nfs/dbraw/zinc/45/95/56/618459556.db2.gz VVGWJHXWFHIMMI-SNVBAGLBSA-N 0 1 299.827 2.567 20 30 CFEDMN C=CCN1CCCC[C@H]1CNC(=O)c1ccc(Cl)cn1 ZINC001024767744 618466323 /nfs/dbraw/zinc/46/63/23/618466323.db2.gz HLQUENNUERDXLG-ZDUSSCGKSA-N 0 1 293.798 2.505 20 30 CFEDMN COC(=O)c1cc(C=N[N-]c2ccc(C)c[nH+]2)oc1C ZINC000727259594 618475662 /nfs/dbraw/zinc/47/56/62/618475662.db2.gz HKJOPFXGLGKKLV-UHFFFAOYSA-N 0 1 273.292 2.524 20 30 CFEDMN Cc1ccc([N-]N=C2C(=O)Nc3c2cc(C)cc3F)[nH+]c1 ZINC000727259512 618476025 /nfs/dbraw/zinc/47/60/25/618476025.db2.gz HZYZJRSXOPGKHN-UHFFFAOYSA-N 0 1 284.294 2.606 20 30 CFEDMN C#C[C@@H](NCc1ccc(SC)o1)C1CCOCC1 ZINC000895332104 618535891 /nfs/dbraw/zinc/53/58/91/618535891.db2.gz FJIGOLDWFVWPSR-CYBMUJFWSA-N 0 1 265.378 2.520 20 30 CFEDMN C#C[C@H](NCc1cc(C)cnc1Cl)C1CCOCC1 ZINC000895436795 618584731 /nfs/dbraw/zinc/58/47/31/618584731.db2.gz UQQKIDUVHABKKK-AWEZNQCLSA-N 0 1 278.783 2.561 20 30 CFEDMN C=C(C)CN1C[C@H]2CC[C@@H](C1)N2C(=O)C[C@H]1CC=CCC1 ZINC001017799999 618671042 /nfs/dbraw/zinc/67/10/42/618671042.db2.gz JURVVVSJURWLPC-YESZJQIVSA-N 0 1 288.435 2.984 20 30 CFEDMN C#CCCCCC(=O)C(C#N)C(=O)Nc1ccccc1OC ZINC000180738341 618671690 /nfs/dbraw/zinc/67/16/90/618671690.db2.gz LFHJFJKHMAGJJD-CYBMUJFWSA-N 0 1 298.342 2.536 20 30 CFEDMN C=CCN1CCC[C@@H](NC(=O)[C@H]2CCC=CCCC2)C1 ZINC001007611555 618715791 /nfs/dbraw/zinc/71/57/91/618715791.db2.gz RTAZCHYHKCPISS-JKSUJKDBSA-N 0 1 276.424 2.890 20 30 CFEDMN CC(C)[C@@H](F)C(=O)C(C#N)C(=O)Nc1ccc(Cl)cc1 ZINC000784490511 618779606 /nfs/dbraw/zinc/77/96/06/618779606.db2.gz GAROTXKQDSZISB-VXGBXAGGSA-N 0 1 296.729 2.981 20 30 CFEDMN CCc1nc([C@@H](C)Nc2cc(C)cc(F)c2C#N)n[nH]1 ZINC000893038024 618810999 /nfs/dbraw/zinc/81/09/99/618810999.db2.gz QCZPNHTUSSUOSK-SECBINFHSA-N 0 1 273.315 2.859 20 30 CFEDMN CCn1cc(CN[C@H](C)c2cccc(C#N)c2)c(C)n1 ZINC000893077469 618823019 /nfs/dbraw/zinc/82/30/19/618823019.db2.gz JDHNNUBAAYMABB-GFCCVEGCSA-N 0 1 268.364 2.934 20 30 CFEDMN C=C(C)CN1CCC[C@@H](NC(=O)c2ccccc2F)C1 ZINC001006583809 618830409 /nfs/dbraw/zinc/83/04/09/618830409.db2.gz GQOAVFDTTKQGNF-CYBMUJFWSA-N 0 1 276.355 2.596 20 30 CFEDMN COc1cccc(-c2nc(C)c(C(=O)OC(C)(C)C#N)[nH]2)c1 ZINC000181856334 618885439 /nfs/dbraw/zinc/88/54/39/618885439.db2.gz VWFIMLGFCYKWJH-UHFFFAOYSA-N 0 1 299.330 2.853 20 30 CFEDMN CO[C@@H](CN[C@@H](C)c1ccc(C#N)c(F)c1)C(F)(F)F ZINC000777011654 618941534 /nfs/dbraw/zinc/94/15/34/618941534.db2.gz NMYXRJWJJBFKHQ-UFBFGSQYSA-N 0 1 290.260 2.925 20 30 CFEDMN C=C(C)CN1CCC[C@@H](NC(=O)c2ccc(F)cc2C)C1 ZINC001009289070 618987735 /nfs/dbraw/zinc/98/77/35/618987735.db2.gz RFSCMDBDBHEDCB-OAHLLOKOSA-N 0 1 290.382 2.904 20 30 CFEDMN C=CC[N@@H+](CC(=O)[O-])Cc1cc(Br)ccc1C ZINC000313613796 619000359 /nfs/dbraw/zinc/00/03/59/619000359.db2.gz QTLHNAKWALAVKS-UHFFFAOYSA-N 0 1 298.180 2.830 20 30 CFEDMN CC[C@H](CC#N)N[C@@H](C)[C@H]1COc2ccccc2C1 ZINC000893606835 619090731 /nfs/dbraw/zinc/09/07/31/619090731.db2.gz RXZFBEDWWNZFRT-NWANDNLSSA-N 0 1 258.365 2.908 20 30 CFEDMN C=CCN(C(=O)c1cc(F)cc(F)c1O)C(C)C ZINC000931925262 619159968 /nfs/dbraw/zinc/15/99/68/619159968.db2.gz NXLMAEPBSAXNGF-UHFFFAOYSA-N 0 1 255.264 2.707 20 30 CFEDMN Cc1cc(C#N)ccc1CN1CCC[C@H]1c1ccnn1C ZINC000932263068 619224323 /nfs/dbraw/zinc/22/43/23/619224323.db2.gz ALBFSWSQZAMBHR-KRWDZBQOSA-N 0 1 280.375 2.937 20 30 CFEDMN C[C@@]1(C#N)CCCN(Cc2cc(F)cc(F)c2O)C1 ZINC000894446611 619387947 /nfs/dbraw/zinc/38/79/47/619387947.db2.gz WPEPTVMJBFMIQR-AWEZNQCLSA-N 0 1 266.291 2.796 20 30 CFEDMN C#C[C@@H](NCc1cnn(CC2CCC2)c1)C(C)(C)C ZINC000894517354 619407818 /nfs/dbraw/zinc/40/78/18/619407818.db2.gz JFIROFAAPSIXGS-OAHLLOKOSA-N 0 1 259.397 2.821 20 30 CFEDMN COc1cc(CNCc2cnc(F)c(C)c2)ccc1C#N ZINC000894543296 619414339 /nfs/dbraw/zinc/41/43/39/619414339.db2.gz WOYHNTMJWHLLFX-UHFFFAOYSA-N 0 1 285.322 2.699 20 30 CFEDMN C=C[C@H]1CCCCN1Cc1ccc2oc(=O)oc2c1 ZINC000894583700 619423945 /nfs/dbraw/zinc/42/39/45/619423945.db2.gz JZWFJFZKBBHUJU-LBPRGKRZSA-N 0 1 259.305 2.927 20 30 CFEDMN CN(Cc1csc(C#N)c1)C[C@@H](O)Cc1ccccc1 ZINC000894606548 619426678 /nfs/dbraw/zinc/42/66/78/619426678.db2.gz YBRYATUTWMHKSM-HNNXBMFYSA-N 0 1 286.400 2.655 20 30 CFEDMN Cc1cc(C#N)ccc1N1CCC(C)(N2CCOCC2)CC1 ZINC000894758536 619458662 /nfs/dbraw/zinc/45/86/62/619458662.db2.gz MSVUPVIJAGYOAM-UHFFFAOYSA-N 0 1 299.418 2.558 20 30 CFEDMN C=CCOc1cccc(CN[C@H](C)c2n[nH]c(C)n2)c1 ZINC000894771613 619459767 /nfs/dbraw/zinc/45/97/67/619459767.db2.gz OQPQYIGEOQCQLJ-LLVKDONJSA-N 0 1 272.352 2.529 20 30 CFEDMN COC(=O)[C@@H](CNCc1cccc(F)c1C#N)CC(C)C ZINC000894790958 619464886 /nfs/dbraw/zinc/46/48/86/619464886.db2.gz OTGPSCBVOOALIF-CYBMUJFWSA-N 0 1 292.354 2.622 20 30 CFEDMN C#CC[N@H+](C)CCCNC(=O)N1Cc2ccccc2[C@H]1CC ZINC000895057719 619537687 /nfs/dbraw/zinc/53/76/87/619537687.db2.gz XAPWBVHMSDLVBZ-QGZVFWFLSA-N 0 1 299.418 2.618 20 30 CFEDMN C#CC[C@@H](Cc1ccccc1)NC[C@H](C#N)CCC#N ZINC000795329240 619553593 /nfs/dbraw/zinc/55/35/93/619553593.db2.gz MJBPNQTTYMKRGC-IRXDYDNUSA-N 0 1 265.360 2.654 20 30 CFEDMN C=C[C@H](CC)CC(=O)O[C@@H](C)c1n[nH]c(CC)n1 ZINC000909526188 619571858 /nfs/dbraw/zinc/57/18/58/619571858.db2.gz VXXQODKDBVJWFV-VHSXEESVSA-N 0 1 251.330 2.574 20 30 CFEDMN C=C[C@H](CC)CC(=O)O[C@H](C)c1n[nH]c(CC)n1 ZINC000909526186 619571933 /nfs/dbraw/zinc/57/19/33/619571933.db2.gz VXXQODKDBVJWFV-NXEZZACHSA-N 0 1 251.330 2.574 20 30 CFEDMN C[C@@H](CC(C)(C)C#N)NCc1cnc(Br)cn1 ZINC000895644004 619575533 /nfs/dbraw/zinc/57/55/33/619575533.db2.gz ZFHDIZAVXCRNTF-VIFPVBQESA-N 0 1 297.200 2.657 20 30 CFEDMN C#CCC1(O)CCN(C/C=C\c2ccccc2OC)CC1 ZINC000895675617 619579825 /nfs/dbraw/zinc/57/98/25/619579825.db2.gz SFPLBMBGQYRDHJ-VURMDHGXSA-N 0 1 285.387 2.559 20 30 CFEDMN C#CCC1(O)CC[NH+](Cc2ccc3ccccc3c2[O-])CC1 ZINC000895669364 619582104 /nfs/dbraw/zinc/58/21/04/619582104.db2.gz ACUNQAIQSFUTHS-UHFFFAOYSA-N 0 1 295.382 2.896 20 30 CFEDMN C#CCN1CCC(Nc2nccc3ccc(F)cc32)CC1 ZINC000895808553 619609207 /nfs/dbraw/zinc/60/92/07/619609207.db2.gz KCRQBVOLABIVSV-UHFFFAOYSA-N 0 1 283.350 2.883 20 30 CFEDMN C#Cc1ccc(CN2CCC(C(=O)OC(C)C)CC2)cc1 ZINC000895829882 619618649 /nfs/dbraw/zinc/61/86/49/619618649.db2.gz WTGSEGKULYSEKL-UHFFFAOYSA-N 0 1 285.387 2.832 20 30 CFEDMN C=CCC1(O)CCN(Cc2cccc(OC)c2OC)CC1 ZINC000895835729 619620214 /nfs/dbraw/zinc/62/02/14/619620214.db2.gz MXCWEBVEEQMZCP-UHFFFAOYSA-N 0 1 291.391 2.607 20 30 CFEDMN CC(C)c1nnc(CN[C@H]2Cc3ccc(C#N)cc3C2)s1 ZINC000895860563 619620711 /nfs/dbraw/zinc/62/07/11/619620711.db2.gz CLERDJBPWMZVMJ-AWEZNQCLSA-N 0 1 298.415 2.790 20 30 CFEDMN C=CCOc1cccc(C[N@H+]2CCO[C@@H](C)CC2)c1 ZINC000896586263 619768071 /nfs/dbraw/zinc/76/80/71/619768071.db2.gz YXHTUSMEEVLKAZ-AWEZNQCLSA-N 0 1 261.365 2.862 20 30 CFEDMN C=CCCCN(CC)C(=O)NCc1cc(N(C)C)ccn1 ZINC000896591574 619770281 /nfs/dbraw/zinc/77/02/81/619770281.db2.gz LFPAPIYSFDRABR-UHFFFAOYSA-N 0 1 290.411 2.645 20 30 CFEDMN C#CCN(C(=O)c1cnc(-c2ccccc2)[nH]1)C(C)C ZINC000928625674 619807139 /nfs/dbraw/zinc/80/71/39/619807139.db2.gz ZMUQMRCIHQKVOI-UHFFFAOYSA-N 0 1 267.332 2.561 20 30 CFEDMN C=C1CC(c2noc([C@H]3CCc4cnc(C)n4C3)n2)C1 ZINC000896875978 619853057 /nfs/dbraw/zinc/85/30/57/619853057.db2.gz RJFNZTIXQODYCH-NSHDSACASA-N 0 1 270.336 2.738 20 30 CFEDMN C[C@@]1(CNCc2cc(C#N)cnc2Cl)CCCCO1 ZINC000896922929 619890463 /nfs/dbraw/zinc/89/04/63/619890463.db2.gz CTWUZSRIEGWOGP-AWEZNQCLSA-N 0 1 279.771 2.655 20 30 CFEDMN Cc1cc(C(C#N)C(=O)[C@H]2CCC(F)(F)C2)nc(C)n1 ZINC000796634791 619912521 /nfs/dbraw/zinc/91/25/21/619912521.db2.gz XHQUUECNXUDZCK-QWRGUYRKSA-N 0 1 279.290 2.705 20 30 CFEDMN C=C1CCC(C(=O)N[C@H]2CCCc3cn[nH]c32)CC1 ZINC000897031568 619915087 /nfs/dbraw/zinc/91/50/87/619915087.db2.gz ZLWZRJOBFPQWCV-ZDUSSCGKSA-N 0 1 259.353 2.650 20 30 CFEDMN C=CCN(CCc1ccco1)C(=O)[C@H]1CCN1C(C)(C)C ZINC000897337974 620001289 /nfs/dbraw/zinc/00/12/89/620001289.db2.gz IMZPGNQGVHDKJN-OAHLLOKOSA-N 0 1 290.407 2.710 20 30 CFEDMN COC[C@H](N[C@@H](C)CC(C)(C)C#N)c1ccco1 ZINC000925207710 620023992 /nfs/dbraw/zinc/02/39/92/620023992.db2.gz YZWMZPMNMYMXEL-RYUDHWBXSA-N 0 1 250.342 2.885 20 30 CFEDMN C=C(Cl)CN(C)C1CCN(C(=O)c2c[nH]cc2C)CC1 ZINC000985794186 620035254 /nfs/dbraw/zinc/03/52/54/620035254.db2.gz ZQYORLABRDAFPD-UHFFFAOYSA-N 0 1 295.814 2.612 20 30 CFEDMN C=C(Cl)CN[C@@H]1CCN(C(=O)c2cccs2)[C@@H]1C ZINC000985901140 620050114 /nfs/dbraw/zinc/05/01/14/620050114.db2.gz KFOFIBVCAVYHLB-GHMZBOCLSA-N 0 1 284.812 2.693 20 30 CFEDMN C=C(Cl)CN[C@@H]1CCN(C(=O)CC2CCCC2)[C@@H]1C ZINC000985906152 620050939 /nfs/dbraw/zinc/05/09/39/620050939.db2.gz YRDNTQDVTSFHCK-TZMCWYRMSA-N 0 1 284.831 2.898 20 30 CFEDMN C=C(Cl)CN[C@H]1CCN(C(=O)C(CC)CC)[C@H]1C ZINC000986002731 620057639 /nfs/dbraw/zinc/05/76/39/620057639.db2.gz MESUYACEQUXPID-AAEUAGOBSA-N 0 1 272.820 2.754 20 30 CFEDMN C=C(Cl)CN[C@@H]1CCN(C(=O)c2ccoc2CC)[C@H]1C ZINC000986234169 620077452 /nfs/dbraw/zinc/07/74/52/620077452.db2.gz LFBAHQMJSPTQCD-WCQYABFASA-N 0 1 296.798 2.787 20 30 CFEDMN C=C(Cl)CN[C@H]1CCN(C(=O)c2[nH]c(C)cc2C)[C@@H]1C ZINC000986414769 620081656 /nfs/dbraw/zinc/08/16/56/620081656.db2.gz LRRUELSQPSNEHR-OLZOCXBDSA-N 0 1 295.814 2.577 20 30 CFEDMN N#Cc1cnc(Cl)c(CNC2([C@@H]3CCCCO3)CC2)c1 ZINC000897387170 620089563 /nfs/dbraw/zinc/08/95/63/620089563.db2.gz IKKRSLHIFQMFKK-ZDUSSCGKSA-N 0 1 291.782 2.798 20 30 CFEDMN C=C(Cl)CN[C@H]1CCN(C(=O)CC2(C)CC2)[C@@H]1C ZINC000986579480 620091216 /nfs/dbraw/zinc/09/12/16/620091216.db2.gz CZXPSMAONGHVNP-NEPJUHHUSA-N 0 1 270.804 2.508 20 30 CFEDMN C=C(Cl)CN[C@H]1CCN(C(=O)c2occc2CC)[C@H]1C ZINC000986847524 620100246 /nfs/dbraw/zinc/10/02/46/620100246.db2.gz PNSPHXISXCAQGD-AAEUAGOBSA-N 0 1 296.798 2.787 20 30 CFEDMN FC(F)(F)c1cc(C=NNC2CCCCC2)[nH]n1 ZINC000799486372 620110456 /nfs/dbraw/zinc/11/04/56/620110456.db2.gz YLVSSAGJLGEFKC-UHFFFAOYSA-N 0 1 260.263 2.685 20 30 CFEDMN C=C(Cl)CN[C@@H]1C[C@H](C)N(C(=O)c2ccsc2)C1 ZINC000987924957 620158924 /nfs/dbraw/zinc/15/89/24/620158924.db2.gz BVQQGRRYYRCTSU-CMPLNLGQSA-N 0 1 284.812 2.693 20 30 CFEDMN N#Cc1cnc(Cl)c(CNC[C@@H]2CC[C@@H](C3CC3)O2)c1 ZINC000897505647 620195827 /nfs/dbraw/zinc/19/58/27/620195827.db2.gz NIBQTNFLZBSLMC-KBPBESRZSA-N 0 1 291.782 2.654 20 30 CFEDMN C/C=C(\C)C(=O)N1C[C@H](NCc2ccccc2C#N)C[C@@H]1C ZINC000988511959 620196370 /nfs/dbraw/zinc/19/63/70/620196370.db2.gz KRCIUPWIRAYEAN-QRDFODAWSA-N 0 1 297.402 2.603 20 30 CFEDMN C#CCCCN[C@H](C)c1ncc(Br)s1 ZINC000179235088 620216329 /nfs/dbraw/zinc/21/63/29/620216329.db2.gz BPFKIILXKHHGGP-MRVPVSSYSA-N 0 1 273.199 2.970 20 30 CFEDMN C=C(Cl)CN[C@H]1C[C@@H](C)N(C(=O)c2cc[nH]c2CC)C1 ZINC000988755396 620220652 /nfs/dbraw/zinc/22/06/52/620220652.db2.gz FFQOPJSZPNBRAM-NEPJUHHUSA-N 0 1 295.814 2.522 20 30 CFEDMN C=C(Cl)CN[C@H]1C[C@H](C)N(C(=O)C2CC3(CCC3)C2)C1 ZINC000989314591 620244531 /nfs/dbraw/zinc/24/45/31/620244531.db2.gz BRNPUTIHKOGDSC-JSGCOSHPSA-N 0 1 296.842 2.898 20 30 CFEDMN C=C(C)CN1CCCN(C(=O)[C@H]2CC23CCCC3)CC1 ZINC000989417690 620261680 /nfs/dbraw/zinc/26/16/80/620261680.db2.gz YZTLOIDPOCZCDJ-OAHLLOKOSA-N 0 1 276.424 2.677 20 30 CFEDMN COc1cccc(CN(C)Cc2cc(C#N)cs2)c1O ZINC000897625091 620263142 /nfs/dbraw/zinc/26/31/42/620263142.db2.gz BYEYDIISCJLCKD-UHFFFAOYSA-N 0 1 288.372 2.966 20 30 CFEDMN N#Cc1cc(CN2C[C@@H](Cc3ccccc3)[C@H](O)C2)cs1 ZINC000898139867 620338733 /nfs/dbraw/zinc/33/87/33/620338733.db2.gz OKONSTGOPZOPCS-NVXWUHKLSA-N 0 1 298.411 2.655 20 30 CFEDMN CC(C)(C)c1coc(NC(=O)c2ccc(C#N)c(O)c2)n1 ZINC000898300749 620367743 /nfs/dbraw/zinc/36/77/43/620367743.db2.gz DOILHDDZCFMFEA-UHFFFAOYSA-N 0 1 285.303 2.802 20 30 CFEDMN C=C(C)CN1CCCN(C(=O)[C@H]2CC[C@H](C)CC2)CC1 ZINC000989524497 620379903 /nfs/dbraw/zinc/37/99/03/620379903.db2.gz WFDAAEWWNUFNHG-WKILWMFISA-N 0 1 278.440 2.923 20 30 CFEDMN C=CCN1CCCN(C(=O)C[C@H](C)c2ccccc2)CC1 ZINC000989609102 620383116 /nfs/dbraw/zinc/38/31/16/620383116.db2.gz REEMBWVYACMIKM-INIZCTEOSA-N 0 1 286.419 2.901 20 30 CFEDMN C=CCN1CCCN(C(=O)[C@H]2CC3CCC2CC3)CC1 ZINC000989746732 620388756 /nfs/dbraw/zinc/38/87/56/620388756.db2.gz BXIPBTLXJBOSAT-GPANFISMSA-N 0 1 276.424 2.533 20 30 CFEDMN CCC(=O)N[C@]12CCC[C@@H]1N(Cc1ccccc1C#N)CC2 ZINC000989870106 620396481 /nfs/dbraw/zinc/39/64/81/620396481.db2.gz HLPJBLLBLFHHSD-WMZOPIPTSA-N 0 1 297.402 2.581 20 30 CFEDMN CCC(=O)N[C@@]12CCC[C@H]1N(Cc1ccccc1C#N)CC2 ZINC000989870105 620396604 /nfs/dbraw/zinc/39/66/04/620396604.db2.gz HLPJBLLBLFHHSD-SJLPKXTDSA-N 0 1 297.402 2.581 20 30 CFEDMN C#CCN1CC[C@@]2(NC(=O)C(F)=C3CCCC3)CCC[C@@H]12 ZINC000990226213 620412190 /nfs/dbraw/zinc/41/21/90/620412190.db2.gz ZRWDERWLTRJCGW-PBHICJAKSA-N 0 1 290.382 2.530 20 30 CFEDMN Cc1cc(C#N)ccc1COC(=O)[C@@H]1CCCN1C(C)C ZINC000923888942 620429803 /nfs/dbraw/zinc/42/98/03/620429803.db2.gz ONZOSPMLDICIPA-INIZCTEOSA-N 0 1 286.375 2.783 20 30 CFEDMN C=CCOc1ccc(C[N@@H+]2C[C@@H](C)[C@](C)(C(=O)[O-])C2)cc1 ZINC000901542145 620851212 /nfs/dbraw/zinc/85/12/12/620851212.db2.gz HCLGOPGJWGYRAW-CXAGYDPISA-N 0 1 289.375 2.794 20 30 CFEDMN C=CC[N@@H+](CC(=O)[O-])Cc1ccc(N(CC)CC)c(F)c1 ZINC000901585308 620869707 /nfs/dbraw/zinc/86/97/07/620869707.db2.gz DVRKNPBWNQFPMA-UHFFFAOYSA-N 0 1 294.370 2.745 20 30 CFEDMN C=CC[N@@H+](CC(=O)[O-])C[C@@H](C)c1ccc(F)cc1 ZINC000901585618 620869892 /nfs/dbraw/zinc/86/98/92/620869892.db2.gz BBXGPLOUMGRFLK-LLVKDONJSA-N 0 1 251.301 2.502 20 30 CFEDMN C=CCOC[C@@H]([NH2+][C@H](C)c1cc2ccccc2o1)C(=O)[O-] ZINC000901808000 620921369 /nfs/dbraw/zinc/92/13/69/620921369.db2.gz ABLSUMFAPPWOPO-DGCLKSJQSA-N 0 1 289.331 2.739 20 30 CFEDMN C=C[C@H]1CCCC[N@@H+]1Cc1csc(C(=O)[O-])c1 ZINC000902544220 621116735 /nfs/dbraw/zinc/11/67/35/621116735.db2.gz DBHPBCOHXNFDAT-NSHDSACASA-N 0 1 251.351 2.987 20 30 CFEDMN C=CCCCN(CC)CN1C(=O)C(C)(C)[C@H]1[C@@H]1CCCO1 ZINC000902669996 621148775 /nfs/dbraw/zinc/14/87/75/621148775.db2.gz WLGHBHXAMDNDSF-LSDHHAIUSA-N 0 1 294.439 2.648 20 30 CFEDMN C=CCCCN(CC)CN1C(=O)CC2(CCCC2)C1=O ZINC000902669978 621148782 /nfs/dbraw/zinc/14/87/82/621148782.db2.gz WBXQWAYCCQEBEY-UHFFFAOYSA-N 0 1 278.396 2.551 20 30 CFEDMN C#C[C@H](N[C@@H](CC)c1cccc(C#N)c1)[C@@H]1CCCO1 ZINC000902958833 621214294 /nfs/dbraw/zinc/21/42/94/621214294.db2.gz VEJPSVILNDNVLT-ULQDDVLXSA-N 0 1 268.360 2.780 20 30 CFEDMN N#CC1(CCCN2CCC[C@H](F)C2)CCOCC1 ZINC000902994660 621220341 /nfs/dbraw/zinc/22/03/41/621220341.db2.gz GVZUXGYHWWFIMY-ZDUSSCGKSA-N 0 1 254.349 2.521 20 30 CFEDMN C[C@H](NCCOCC1CCCC1)c1cc(C#N)ccn1 ZINC000903015268 621221858 /nfs/dbraw/zinc/22/18/58/621221858.db2.gz FBNPGWOQYNZKFW-ZDUSSCGKSA-N 0 1 273.380 2.811 20 30 CFEDMN CC[C@@H](NCc1n[nH]c(C2CC2)n1)c1cccc(C#N)c1 ZINC000903005767 621227741 /nfs/dbraw/zinc/22/77/41/621227741.db2.gz ZMSKXCCMERUSBH-CQSZACIVSA-N 0 1 281.363 2.795 20 30 CFEDMN CC(=O)N1CC[C@@H](NCC2(C#N)CCC2)c2ccccc2C1 ZINC000903032566 621230140 /nfs/dbraw/zinc/23/01/40/621230140.db2.gz JSFJJCSWJDJBBY-QGZVFWFLSA-N 0 1 297.402 2.763 20 30 CFEDMN C[C@H](c1cccc(C#N)c1)[N@H+]1CC[C@H](Nc2ncccn2)C1 ZINC000903023625 621233751 /nfs/dbraw/zinc/23/37/51/621233751.db2.gz OYOIDJYAWJNFLZ-CJNGLKHVSA-N 0 1 293.374 2.596 20 30 CFEDMN C=CCC[C@@H](NCc1cnn(CC)n1)[C@]1(C)CCCCO1 ZINC000903063511 621238385 /nfs/dbraw/zinc/23/83/85/621238385.db2.gz DKAYHABDDQCQGP-CVEARBPZSA-N 0 1 292.427 2.682 20 30 CFEDMN N#C[C@@H]1CCC[C@H](NCc2nc3c(s2)CCC3)C1 ZINC000903190930 621286777 /nfs/dbraw/zinc/28/67/77/621286777.db2.gz IMHPPAAFYLJSSN-MNOVXSKESA-N 0 1 261.394 2.804 20 30 CFEDMN C[C@H](NCc1nc(C#N)cs1)C(C)(C)C(F)F ZINC000903263908 621304142 /nfs/dbraw/zinc/30/41/42/621304142.db2.gz PBCWVAMPJDKQOF-ZETCQYMHSA-N 0 1 259.325 2.784 20 30 CFEDMN Cn1cnc(CN[C@H]2CCCCc3cc(C#N)ccc32)c1 ZINC000903350558 621343369 /nfs/dbraw/zinc/34/33/69/621343369.db2.gz CQPHMRSVRJEGQP-KRWDZBQOSA-N 0 1 280.375 2.849 20 30 CFEDMN Cc1cc(C#N)cc(C)c1C[N@@H+]1CC[C@H](C)[C@@H](C(=O)[O-])C1 ZINC000903409546 621364305 /nfs/dbraw/zinc/36/43/05/621364305.db2.gz ZGBQATBLXYJJOK-ZBEGNZNMSA-N 0 1 286.375 2.718 20 30 CFEDMN N#Cc1cc(Cl)cc(C[N@@H+]2CCC[C@H](C(=O)[O-])C2)c1 ZINC000903401775 621368341 /nfs/dbraw/zinc/36/83/41/621368341.db2.gz AWZPNPIWHJMUKF-LBPRGKRZSA-N 0 1 278.739 2.508 20 30 CFEDMN C=C(C)C[N@H+](CC)Cc1cc(C(=O)[O-])ccc1OC ZINC000903591643 621403164 /nfs/dbraw/zinc/40/31/64/621403164.db2.gz PHLRTLYMKJTIFD-UHFFFAOYSA-N 0 1 263.337 2.791 20 30 CFEDMN C=CC[N@H+](CC(=O)[O-])Cc1ccccc1SCC ZINC000903596832 621404423 /nfs/dbraw/zinc/40/44/23/621404423.db2.gz TYQVCXQMWWAOCI-UHFFFAOYSA-N 0 1 265.378 2.871 20 30 CFEDMN C=CC[N@@H+](CC(=O)[O-])Cc1ccccc1SCC ZINC000903596832 621404424 /nfs/dbraw/zinc/40/44/24/621404424.db2.gz TYQVCXQMWWAOCI-UHFFFAOYSA-N 0 1 265.378 2.871 20 30 CFEDMN C=C[C@@H]1CCCC[N@@H+]1Cc1ccc(C(=O)[O-])s1 ZINC000903685739 621418415 /nfs/dbraw/zinc/41/84/15/621418415.db2.gz ZWGDQJLCFSERGE-SNVBAGLBSA-N 0 1 251.351 2.987 20 30 CFEDMN C=CC[N@H+](CC(=O)[O-])C[C@@H]1CCC2(CCCCCC2)O1 ZINC000903896845 621466435 /nfs/dbraw/zinc/46/64/35/621466435.db2.gz WDEMPJZNJXGIEV-AWEZNQCLSA-N 0 1 281.396 2.831 20 30 CFEDMN CCc1nn(C)cc1/C=C/C(=O)c1cccc(CN(C)C)c1 ZINC000905078057 621690207 /nfs/dbraw/zinc/69/02/07/621690207.db2.gz JSSGZFYQYWPHTO-MDZDMXLPSA-N 0 1 297.402 2.940 20 30 CFEDMN CCn1cncc1/C=C\C(=O)c1cccc(CN(C)C)c1 ZINC000905078143 621690217 /nfs/dbraw/zinc/69/02/17/621690217.db2.gz LUIAYNKZRHRLRW-HJWRWDBZSA-N 0 1 283.375 2.861 20 30 CFEDMN CCN1[C@H](C)CN(C(=O)Nc2ccc(C#N)cc2)C[C@@H]1C ZINC000905162667 621716154 /nfs/dbraw/zinc/71/61/54/621716154.db2.gz UCBNEBCGUGFREA-BETUJISGSA-N 0 1 286.379 2.505 20 30 CFEDMN Cc1cc(C#N)cc(C)c1Cc1nc([C@@H]2CCCN2)no1 ZINC000905304145 621745969 /nfs/dbraw/zinc/74/59/69/621745969.db2.gz HKDVJODEHYGWHW-AWEZNQCLSA-N 0 1 282.347 2.573 20 30 CFEDMN C=C(CC)C[N@@H+](C)[C@H](C(=O)[O-])c1cccc(OC)c1 ZINC000905372555 621755955 /nfs/dbraw/zinc/75/59/55/621755955.db2.gz SOQFXICZVKRXHH-AWEZNQCLSA-N 0 1 263.337 2.719 20 30 CFEDMN CCOCc1nc(C)cc(NN=Cc2cc(C)ns2)n1 ZINC000905500296 621781798 /nfs/dbraw/zinc/78/17/98/621781798.db2.gz ZTTCXCNCPRXNJT-UHFFFAOYSA-N 0 1 291.380 2.532 20 30 CFEDMN CN(Cc1cn(Cc2ccc(CC#N)cc2)nn1)C(C)(C)C ZINC000905803119 621868257 /nfs/dbraw/zinc/86/82/57/621868257.db2.gz DYAHIBOWRQFMIP-UHFFFAOYSA-N 0 1 297.406 2.623 20 30 CFEDMN CC(C)N1CCC[C@H]1C(=O)N1CCCc2cc(C#N)ccc21 ZINC000905830447 621879894 /nfs/dbraw/zinc/87/98/94/621879894.db2.gz DCSUNCJZAIYTRI-KRWDZBQOSA-N 0 1 297.402 2.710 20 30 CFEDMN Cc1nc2c(n1C[C@@H](O)CC1(C#N)CCC1)CCCC2 ZINC000905962802 621913271 /nfs/dbraw/zinc/91/32/71/621913271.db2.gz NHTYUEUQDHFOEZ-ZDUSSCGKSA-N 0 1 273.380 2.515 20 30 CFEDMN N#Cc1cc(F)ccc1-c1cnc([C@H]2CCCCN2)nc1 ZINC000906170666 621943169 /nfs/dbraw/zinc/94/31/69/621943169.db2.gz HMCYXFPLLIIVCE-OAHLLOKOSA-N 0 1 282.322 2.969 20 30 CFEDMN N#Cc1cc(-c2cnc([C@@H]3CCCCN3)nc2)ccc1F ZINC000906171897 621943858 /nfs/dbraw/zinc/94/38/58/621943858.db2.gz KGLYCGCYMVWDDC-HNNXBMFYSA-N 0 1 282.322 2.969 20 30 CFEDMN CCc1nc[nH]c1C(=O)Nc1ccccc1O[C@H](C)C#N ZINC000907264015 622107659 /nfs/dbraw/zinc/10/76/59/622107659.db2.gz WCJZDSYMWAYPPS-SNVBAGLBSA-N 0 1 284.319 2.515 20 30 CFEDMN C=CCCC(=O)[C@@H]1CCCN1C(=O)c1[nH]nc2ccccc21 ZINC000908639128 622252401 /nfs/dbraw/zinc/25/24/01/622252401.db2.gz OWMHVDHMBSOKJM-AWEZNQCLSA-N 0 1 297.358 2.703 20 30 CFEDMN CC1(C#N)CC[NH+](Cc2ccc(C(=O)[O-])cc2F)CC1 ZINC000833550820 625569569 /nfs/dbraw/zinc/56/95/69/625569569.db2.gz DPBMZGSXTWADBW-UHFFFAOYSA-N 0 1 276.311 2.650 20 30 CFEDMN C=CC1(CC(=O)N2C[C@@H](C)N[C@@H](C)C2)CCCCC1 ZINC000911798766 622553346 /nfs/dbraw/zinc/55/33/46/622553346.db2.gz WZBPRJSQGUUKGH-OKILXGFUSA-N 0 1 264.413 2.722 20 30 CFEDMN C=CCC[C@@H]1CCCN1C(=O)NCCCc1cn[nH]c1C ZINC000911895770 622572795 /nfs/dbraw/zinc/57/27/95/622572795.db2.gz SGSQRMPEKPJLKP-OAHLLOKOSA-N 0 1 290.411 2.791 20 30 CFEDMN C[C@@H]1CCCC[C@H]1C(=O)C(C#N)C(=O)Nc1ccccn1 ZINC000819952913 622582754 /nfs/dbraw/zinc/58/27/54/622582754.db2.gz XDDJXNQLGMEIMU-UPJWGTAASA-N 0 1 285.347 2.555 20 30 CFEDMN Cc1cccc2nc([C@H](C#N)C(=O)C=C[C@H]3CCCO3)[nH]c21 ZINC000820086331 622609702 /nfs/dbraw/zinc/60/97/02/622609702.db2.gz ZFJQEILKZMJAPB-OTHLQRGRSA-N 0 1 295.342 2.783 20 30 CFEDMN C#CC[C@@H](OC(=O)c1cc2[nH]cnc2cc1F)C(C)C ZINC000820184389 622622325 /nfs/dbraw/zinc/62/23/25/622622325.db2.gz OTOSZFKYRYVOFR-CQSZACIVSA-N 0 1 274.295 2.907 20 30 CFEDMN C=CCC1(NC(=O)[C@@H]2CCN2C(C)(C)C)CCCC1 ZINC000912522573 622738713 /nfs/dbraw/zinc/73/87/13/622738713.db2.gz OMUXQPAPIMUEMC-ZDUSSCGKSA-N 0 1 264.413 2.864 20 30 CFEDMN C=CC[C@@H]1CCN(C(=O)[C@@H]2c3cn[nH]c3CC[C@@H]2C)C1 ZINC000912983543 622812289 /nfs/dbraw/zinc/81/22/89/622812289.db2.gz BZHDYPPLSLBHEW-ZOWXZIJZSA-N 0 1 273.380 2.500 20 30 CFEDMN CN(Cc1ccc(C#N)cc1)Cc1ccc2nonc2c1 ZINC000821343004 622899370 /nfs/dbraw/zinc/89/93/70/622899370.db2.gz SYRPQPUOWJROGW-UHFFFAOYSA-N 0 1 278.315 2.726 20 30 CFEDMN C=C[C@@H](CC)CC(=O)NCc1ccc2nc[nH]c2c1 ZINC000821380495 622909562 /nfs/dbraw/zinc/90/95/62/622909562.db2.gz AHAGDNBLNBZTKR-NSHDSACASA-N 0 1 257.337 2.781 20 30 CFEDMN Cc1ccc(C(=O)NCC#CCN(C)C)c(Cl)c1Cl ZINC000913523125 622910076 /nfs/dbraw/zinc/91/00/76/622910076.db2.gz MUOTZPSHNAYACF-UHFFFAOYSA-N 0 1 299.201 2.597 20 30 CFEDMN C=CCc1cc(OC)cc(CN2CCOC(C)(C)C2)c1O ZINC000164010229 622932896 /nfs/dbraw/zinc/93/28/96/622932896.db2.gz FLKPYNWYQTWUMC-UHFFFAOYSA-N 0 1 291.391 2.740 20 30 CFEDMN COC(=O)c1cc(/C=C/C(=O)c2cc(F)ccc2O)c[nH]1 ZINC000156673442 622953331 /nfs/dbraw/zinc/95/33/31/622953331.db2.gz WFGPQHJFGHBJSU-DUXPYHPUSA-N 0 1 289.262 2.542 20 30 CFEDMN C#CC[C@H](OC(=O)c1cc2[nH]cnc2cc1F)C1CC1 ZINC000821626469 622956694 /nfs/dbraw/zinc/95/66/94/622956694.db2.gz PDELSSJNQPYKPB-AWEZNQCLSA-N 0 1 272.279 2.661 20 30 CFEDMN N#C[C@H]1CC[C@@H](NCc2ccnc(Cl)c2F)C1 ZINC000822497436 623116115 /nfs/dbraw/zinc/11/61/15/623116115.db2.gz DNZBTLTUVPBTPE-WCBMZHEXSA-N 0 1 253.708 2.656 20 30 CFEDMN CCCCCC[C@H](C)CC(=O)[C@@H](C#N)C(=O)NC1CC1 ZINC000171036642 623201242 /nfs/dbraw/zinc/20/12/42/623201242.db2.gz LJTFJDLTVWMJCG-GXTWGEPZSA-N 0 1 278.396 2.970 20 30 CFEDMN C=CCCCCCCNC(=O)[C@@H]1C[C@H]1c1cnc[nH]1 ZINC000822918883 623202907 /nfs/dbraw/zinc/20/29/07/623202907.db2.gz PNQYDPGLGPVPTG-CHWSQXEVSA-N 0 1 261.369 2.766 20 30 CFEDMN COc1ccc(NC(=O)C(C#N)C(=O)[C@@H](C)C(C)C)cc1 ZINC000172021529 623253885 /nfs/dbraw/zinc/25/38/85/623253885.db2.gz CEPPGPPAHXZAQS-FZMZJTMJSA-N 0 1 288.347 2.635 20 30 CFEDMN C#CCOc1ccc(CNCc2ccc(OC)c(O)c2)cc1 ZINC000172117754 623262458 /nfs/dbraw/zinc/26/24/58/623262458.db2.gz HXOASPYNVBTEOE-UHFFFAOYSA-N 0 1 297.354 2.703 20 30 CFEDMN C[C@@H](c1cccc(C#N)c1)[N@@H+](C)C[C@H](O)c1ccc(F)cn1 ZINC000823618194 623363739 /nfs/dbraw/zinc/36/37/39/623363739.db2.gz PKPNTEHNZNMGBY-SJCJKPOMSA-N 0 1 299.349 2.819 20 30 CFEDMN C=CCCOCCNCc1ccc(Cl)cc1[N+](=O)[O-] ZINC000231820933 623369785 /nfs/dbraw/zinc/36/97/85/623369785.db2.gz GJGOTVOPAYVTHE-UHFFFAOYSA-N 0 1 284.743 2.931 20 30 CFEDMN N#CC(C(=O)C1CCCCCCC1)C(=O)N1CCCC1 ZINC000173935505 623374168 /nfs/dbraw/zinc/37/41/68/623374168.db2.gz ZMANUFZAWJHOCI-AWEZNQCLSA-N 0 1 276.380 2.678 20 30 CFEDMN CCCCCC[C@@H](C)C(=O)C(C#N)C(=O)NC1CC1 ZINC000173974446 623377928 /nfs/dbraw/zinc/37/79/28/623377928.db2.gz AJASPAURGFGUST-YPMHNXCESA-N 0 1 264.369 2.580 20 30 CFEDMN C[C@@H]1CCC[C@@H](C(=O)C(C#N)C(=O)Nc2ccccn2)C1 ZINC000174011567 623380623 /nfs/dbraw/zinc/38/06/23/623380623.db2.gz JIMOYVMEDPOZLI-JHJVBQTASA-N 0 1 285.347 2.555 20 30 CFEDMN CCCC[C@@H](ON=C(C)C)C(=O)N(C)Cc1cn[nH]c1C ZINC000824055928 623441123 /nfs/dbraw/zinc/44/11/23/623441123.db2.gz FVNXFRILPDGRJG-CQSZACIVSA-N 0 1 294.399 2.648 20 30 CFEDMN C#Cc1ccc(C(=O)N[C@]23CCC[C@@H]2[N@@H+](CC=C)CC3)cc1 ZINC000992100105 623455549 /nfs/dbraw/zinc/45/55/49/623455549.db2.gz PLRBCDGTVIYARE-HKUYNNGSSA-N 0 1 294.398 2.581 20 30 CFEDMN CC#CC[N@H+]1CC[C@]2(NC(=O)[C@H]3CCC3(C)C)CCC[C@H]12 ZINC000992125239 623462063 /nfs/dbraw/zinc/46/20/63/623462063.db2.gz CTWBGSNAVZBXOC-RVKKMQEKSA-N 0 1 288.435 2.559 20 30 CFEDMN C=CC[N@H+]1CC[C@]2(NC(=O)[C@@H]3C[C@H]3CCC)CCC[C@@H]12 ZINC000992157391 623472932 /nfs/dbraw/zinc/47/29/32/623472932.db2.gz AIKRPDZBILVJDY-KCYZZUKISA-N 0 1 276.424 2.722 20 30 CFEDMN C=CCCCCC[C@@H](C)N[C@@H](C(N)=O)c1ccccn1 ZINC000824517416 623514747 /nfs/dbraw/zinc/51/47/47/623514747.db2.gz UPQDSEBZHYSOBM-UKRRQHHQSA-N 0 1 275.396 2.723 20 30 CFEDMN C=CCCCCC[C@@H](C)N[C@H](C(N)=O)c1ccccn1 ZINC000824517415 623515007 /nfs/dbraw/zinc/51/50/07/623515007.db2.gz UPQDSEBZHYSOBM-HIFRSBDPSA-N 0 1 275.396 2.723 20 30 CFEDMN C#CCOc1cccc(Cl)c1CNCC1=CCOCC1 ZINC000824596691 623530318 /nfs/dbraw/zinc/53/03/18/623530318.db2.gz KGEAQXLZEGEMFH-UHFFFAOYSA-N 0 1 291.778 2.788 20 30 CFEDMN CCC(CC)CC(=O)C(C#N)C(=O)Nc1ccccn1 ZINC000151756622 623561592 /nfs/dbraw/zinc/56/15/92/623561592.db2.gz KZXKIIOKTPYCSF-GFCCVEGCSA-N 0 1 273.336 2.555 20 30 CFEDMN Cc1cc(C(=O)N2CCN(C)[C@@H](C(C)C)C2)cc(C)c1C#N ZINC000913761687 623580427 /nfs/dbraw/zinc/58/04/27/623580427.db2.gz WDMKNYUOTNVUBP-QGZVFWFLSA-N 0 1 299.418 2.587 20 30 CFEDMN COC(=O)C1(C#N)CCN(C[C@H]2C[C@H]2c2ccccc2)CC1 ZINC000824867077 623580936 /nfs/dbraw/zinc/58/09/36/623580936.db2.gz LNTBXANJHYUYOO-CVEARBPZSA-N 0 1 298.386 2.569 20 30 CFEDMN Cc1ccc([C@@H]2C[C@@H](C)CCN2C[C@H](O)CC#N)o1 ZINC000929760645 623593666 /nfs/dbraw/zinc/59/36/66/623593666.db2.gz VDRJBLRRARVPLU-YUTCNCBUSA-N 0 1 262.353 2.636 20 30 CFEDMN C=CCN1CC[C@]2(NC(=O)c3ccc(F)s3)CCC[C@@H]12 ZINC000992525126 623638269 /nfs/dbraw/zinc/63/82/69/623638269.db2.gz VZSBUQYVFGOICN-IUODEOHRSA-N 0 1 294.395 2.800 20 30 CFEDMN COc1cc(CNC[C@@H](C)C#N)c(O)c(C(C)(C)C)c1 ZINC000825502580 623703963 /nfs/dbraw/zinc/70/39/63/623703963.db2.gz YSEMAHCMMVQMIQ-NSHDSACASA-N 0 1 276.380 2.948 20 30 CFEDMN Cc1noc(C2CN(Cc3ccc(C4(C#N)CC4)cc3)C2)n1 ZINC000826113118 623794641 /nfs/dbraw/zinc/79/46/41/623794641.db2.gz INGIXEZHUZPCSS-UHFFFAOYSA-N 0 1 294.358 2.533 20 30 CFEDMN C=CCN1CC[C@H](NC(=O)c2cc3c(cc(C)cc3C)[nH]2)C1 ZINC001015416022 623798059 /nfs/dbraw/zinc/79/80/59/623798059.db2.gz YYGHFZQQJPQHFE-AWEZNQCLSA-N 0 1 297.402 2.775 20 30 CFEDMN C#CCC[N@@H+]1CCC[C@@H](NC(=O)c2sccc2C)[C@@H]1C ZINC000992982636 623828755 /nfs/dbraw/zinc/82/87/55/623828755.db2.gz MWYMNBRGKJMYIA-UONOGXRCSA-N 0 1 290.432 2.663 20 30 CFEDMN C#CCCN1CCC[C@@H](NC(=O)c2sccc2C)[C@@H]1C ZINC000992982636 623828764 /nfs/dbraw/zinc/82/87/64/623828764.db2.gz MWYMNBRGKJMYIA-UONOGXRCSA-N 0 1 290.432 2.663 20 30 CFEDMN C=CC[N@@H+]1CCC[C@@H](NC(=O)C2CCCCC2)[C@H]1C ZINC000992987383 623833952 /nfs/dbraw/zinc/83/39/52/623833952.db2.gz NYLINTISQOPNEE-UKRRQHHQSA-N 0 1 264.413 2.722 20 30 CFEDMN C=CCN1CCC[C@@H](NC(=O)C2CCCCC2)[C@H]1C ZINC000992987383 623833959 /nfs/dbraw/zinc/83/39/59/623833959.db2.gz NYLINTISQOPNEE-UKRRQHHQSA-N 0 1 264.413 2.722 20 30 CFEDMN C=CC[N@@H+]1CCC[C@H](NC(=O)c2cccc(F)c2)[C@@H]1C ZINC000992986978 623834602 /nfs/dbraw/zinc/83/46/02/623834602.db2.gz JDWKJZRFUAIGRU-WFASDCNBSA-N 0 1 276.355 2.594 20 30 CFEDMN C=CCN1CCC[C@H](NC(=O)c2cccc(F)c2)[C@@H]1C ZINC000992986978 623834611 /nfs/dbraw/zinc/83/46/11/623834611.db2.gz JDWKJZRFUAIGRU-WFASDCNBSA-N 0 1 276.355 2.594 20 30 CFEDMN CC#CC[N@H+]1CCC[C@H](NC(=O)C2CCCCC2)[C@H]1C ZINC000992987597 623834887 /nfs/dbraw/zinc/83/48/87/623834887.db2.gz PPQDVJCGFHEGKW-ZBFHGGJFSA-N 0 1 276.424 2.559 20 30 CFEDMN CC#CCN1CCC[C@H](NC(=O)C2CCCCC2)[C@H]1C ZINC000992987597 623834892 /nfs/dbraw/zinc/83/48/92/623834892.db2.gz PPQDVJCGFHEGKW-ZBFHGGJFSA-N 0 1 276.424 2.559 20 30 CFEDMN CCN(CC)c1ccc(CN2CC(CC#N)C2)cc1 ZINC000826990314 623919987 /nfs/dbraw/zinc/91/99/87/623919987.db2.gz DXRURDFAEZNOOG-UHFFFAOYSA-N 0 1 257.381 2.878 20 30 CFEDMN CCN(C)c1ccc(C(C)=NOC[C@@H]2CCOC2)cc1 ZINC000788031766 623951026 /nfs/dbraw/zinc/95/10/26/623951026.db2.gz IMEKTYJIXAEHRQ-CQSZACIVSA-N 0 1 276.380 2.920 20 30 CFEDMN Oc1c(F)cc(Cl)cc1C=NOC[C@H]1CCOC1 ZINC000788031590 623951129 /nfs/dbraw/zinc/95/11/29/623951129.db2.gz GAOLJVXYKHHNTJ-QMMMGPOBSA-N 0 1 273.691 2.572 20 30 CFEDMN CC#CCN1CCC[C@@H](NC(=O)CC2=CCCCC2)[C@@H]1C ZINC000993164149 623971469 /nfs/dbraw/zinc/97/14/69/623971469.db2.gz YYKVLXDYSGZSOY-DOTOQJQBSA-N 0 1 288.435 2.869 20 30 CFEDMN C=C(Cl)CN[C@H]1CN(C(=O)C[C@H]2C=CCC2)CC1(C)C ZINC000995412277 625691854 /nfs/dbraw/zinc/69/18/54/625691854.db2.gz ASPFHRAPMFPDNI-KBPBESRZSA-N 0 1 296.842 2.922 20 30 CFEDMN CCCCCC[C@](C)(CCC)C(=O)N[C@H]1CNC[C@H]1C#N ZINC000834490322 625692694 /nfs/dbraw/zinc/69/26/94/625692694.db2.gz UEIQBTUXENSOFB-VYDXJSESSA-N 0 1 293.455 2.991 20 30 CFEDMN C#C[C@H](NCc1ccccc1Cl)C1CCOCC1 ZINC000827569456 624034593 /nfs/dbraw/zinc/03/45/93/624034593.db2.gz BCIJMNCWCITADT-HNNXBMFYSA-N 0 1 263.768 2.858 20 30 CFEDMN C#C[C@@H](NCc1ccccc1Cl)C1CCOCC1 ZINC000827569457 624035036 /nfs/dbraw/zinc/03/50/36/624035036.db2.gz BCIJMNCWCITADT-OAHLLOKOSA-N 0 1 263.768 2.858 20 30 CFEDMN C=CCN1CCC[C@H](NC(=O)C(F)=C2CCCC2)[C@H]1C ZINC000993221786 624050280 /nfs/dbraw/zinc/05/02/80/624050280.db2.gz AJHDRLWEYUTXIO-OCCSQVGLSA-N 0 1 280.387 2.939 20 30 CFEDMN C=CCN1CCC[C@@H](NC(=O)c2cc(C)c(C)o2)[C@H]1C ZINC000993227559 624054499 /nfs/dbraw/zinc/05/44/99/624054499.db2.gz UEUQTMVMTWJQEB-TZMCWYRMSA-N 0 1 276.380 2.665 20 30 CFEDMN N#CC[C@@H](O)CN1CC=C(c2c[nH]c3cc(F)ccc32)CC1 ZINC000929881176 624066913 /nfs/dbraw/zinc/06/69/13/624066913.db2.gz LIWBYESWKQSPIN-CQSZACIVSA-N 0 1 299.349 2.671 20 30 CFEDMN CC#CCN1CCC[C@H](NC(=O)C2=CCCCCC2)[C@@H]1C ZINC000993304411 624068864 /nfs/dbraw/zinc/06/88/64/624068864.db2.gz RXGTXSBPMTUSMI-RDJZCZTQSA-N 0 1 288.435 2.869 20 30 CFEDMN C#Cc1cccc(NC(=O)c2cc(-c3ccoc3)n[nH]2)c1 ZINC000915685698 624094907 /nfs/dbraw/zinc/09/49/07/624094907.db2.gz DBUVVZKRXBVCFN-UHFFFAOYSA-N 0 1 277.283 2.903 20 30 CFEDMN C=CCN1CCC[C@H](NC(=O)C2CC(C)(C)C2)[C@@H]1C ZINC000993327215 624100715 /nfs/dbraw/zinc/10/07/15/624100715.db2.gz KUCIPHVYOBJTQV-JSGCOSHPSA-N 0 1 264.413 2.578 20 30 CFEDMN C#CCCN(CCOC)Cc1c(C)nn(C(C)(C)C)c1C ZINC000827823213 624102406 /nfs/dbraw/zinc/10/24/06/624102406.db2.gz KUZZJTLIEAVPFZ-UHFFFAOYSA-N 0 1 291.439 2.727 20 30 CFEDMN C#CCCN(CCOC)Cc1cc(F)c(F)c(F)c1 ZINC000827823815 624103803 /nfs/dbraw/zinc/10/38/03/624103803.db2.gz VBSKZDUMGWMWJK-UHFFFAOYSA-N 0 1 271.282 2.576 20 30 CFEDMN C=CC[N@@H+]1CCC[C@H](NC(=O)c2cc3occc3[nH]2)[C@@H]1C ZINC000993379540 624128667 /nfs/dbraw/zinc/12/86/67/624128667.db2.gz KLAMUAQXRDQWCR-RYUDHWBXSA-N 0 1 287.363 2.530 20 30 CFEDMN C=CCN1CCC[C@H](NC(=O)c2cc3occc3[nH]2)[C@@H]1C ZINC000993379540 624128669 /nfs/dbraw/zinc/12/86/69/624128669.db2.gz KLAMUAQXRDQWCR-RYUDHWBXSA-N 0 1 287.363 2.530 20 30 CFEDMN C=CCN1CCC[C@H](NC(=O)C23CCC(CC2)C3)[C@H]1C ZINC000993502504 624148070 /nfs/dbraw/zinc/14/80/70/624148070.db2.gz IZCMLJFQWJWBSZ-GJEMEMOUSA-N 0 1 276.424 2.722 20 30 CFEDMN C#CCN1CCC[C@@H](NC(=O)c2ccccc2CCC)[C@@H]1C ZINC000993561369 624151798 /nfs/dbraw/zinc/15/17/98/624151798.db2.gz KGJBZLIEVRWSAH-MAUKXSAKSA-N 0 1 298.430 2.855 20 30 CFEDMN C#CCN1CCC[C@H](NC(=O)C2CCCCCCC2)[C@@H]1C ZINC000993569148 624152107 /nfs/dbraw/zinc/15/21/07/624152107.db2.gz GBGADUSKGZWONF-RDJZCZTQSA-N 0 1 290.451 2.949 20 30 CFEDMN C=CCN1CCC[C@H](NC(=O)C(C)(C)C2CCC2)[C@@H]1C ZINC000993631533 624156038 /nfs/dbraw/zinc/15/60/38/624156038.db2.gz IMCBONDKUOIQSS-ZFWWWQNUSA-N 0 1 278.440 2.968 20 30 CFEDMN C=CCN1CCC[C@@H](NC(=O)C2(C3CC3)CCC2)[C@H]1C ZINC000993655941 624156538 /nfs/dbraw/zinc/15/65/38/624156538.db2.gz IPUSLPFLPMHUJH-UKRRQHHQSA-N 0 1 276.424 2.722 20 30 CFEDMN C=CCN1CCC[C@H](NC(=O)c2ccc(F)c(C)c2)[C@H]1C ZINC000993724947 624160713 /nfs/dbraw/zinc/16/07/13/624160713.db2.gz GSBUKSKZXXOIDN-CJNGLKHVSA-N 0 1 290.382 2.903 20 30 CFEDMN C=CCN1CCC[C@H](NC(=O)c2coc(C(F)F)c2)[C@@H]1C ZINC000993717642 624161214 /nfs/dbraw/zinc/16/12/14/624161214.db2.gz QQHXPNNOWRYFFM-JQWIXIFHSA-N 0 1 298.333 2.986 20 30 CFEDMN C=CCN1CCC[C@H](NC(=O)C2CCC(=C)CC2)[C@@H]1C ZINC000993741177 624163212 /nfs/dbraw/zinc/16/32/12/624163212.db2.gz KBWBQQJRCCUWIE-HOCLYGCPSA-N 0 1 276.424 2.888 20 30 CFEDMN C=CCN1CCC[C@@H](NC(=O)c2occc2CC)[C@@H]1C ZINC000993790980 624166350 /nfs/dbraw/zinc/16/63/50/624166350.db2.gz QRHUPMMZRQZCFC-GXTWGEPZSA-N 0 1 276.380 2.611 20 30 CFEDMN C=C1CCC(C(=O)N[C@H]2CCCN(CC#CC)[C@H]2C)CC1 ZINC000993774612 624167822 /nfs/dbraw/zinc/16/78/22/624167822.db2.gz NAEAQOJASXDOQB-RDJZCZTQSA-N 0 1 288.435 2.725 20 30 CFEDMN CC#CCN1CCC[C@@H](NC(=O)c2c(C)cccc2C)[C@@H]1C ZINC000993862493 624170446 /nfs/dbraw/zinc/17/04/46/624170446.db2.gz QLVGACXCUQDXBB-DLBZAZTESA-N 0 1 298.430 2.909 20 30 CFEDMN C=CCN1CCC[C@@H](NC(=O)C2Cc3ccccc3C2)[C@@H]1C ZINC000993881418 624172370 /nfs/dbraw/zinc/17/23/70/624172370.db2.gz VRROWMNCEPCBFC-KBXCAEBGSA-N 0 1 298.430 2.557 20 30 CFEDMN C=CCN1CCC[C@H](NC(=O)c2ccncc2Cl)[C@H]1C ZINC000993867589 624174062 /nfs/dbraw/zinc/17/40/62/624174062.db2.gz YXROBXFRIQZONJ-RISCZKNCSA-N 0 1 293.798 2.504 20 30 CFEDMN C=CCN1CCC[C@H](NC(=O)c2cnoc2C(C)C)[C@H]1C ZINC000994134518 624180264 /nfs/dbraw/zinc/18/02/64/624180264.db2.gz PHJKDJMTTOSRPV-OCCSQVGLSA-N 0 1 291.395 2.567 20 30 CFEDMN CC(=O)Nc1ccc(O)c(C(C)=NNc2ccccn2)c1 ZINC000915945618 624192129 /nfs/dbraw/zinc/19/21/29/624192129.db2.gz XBYVDBLTLXGERL-UHFFFAOYSA-N 0 1 284.319 2.582 20 30 CFEDMN C(=NNc1nc2ccccc2[nH]1)c1cccc2c1OCO2 ZINC000915937435 624194807 /nfs/dbraw/zinc/19/48/07/624194807.db2.gz PRAKYZDLFZDWPZ-UHFFFAOYSA-N 0 1 280.287 2.738 20 30 CFEDMN C(=NNCCN1CCCCC1)c1c[nH]c2ccccc12 ZINC000915973470 624198776 /nfs/dbraw/zinc/19/87/76/624198776.db2.gz JKZKZTCNXYRUPO-UHFFFAOYSA-N 0 1 270.380 2.577 20 30 CFEDMN C=CCOc1ccccc1C=NNCCN1CCCCC1 ZINC000915973306 624198783 /nfs/dbraw/zinc/19/87/83/624198783.db2.gz FFUIJPOVWJLKIB-UHFFFAOYSA-N 0 1 287.407 2.661 20 30 CFEDMN C=C(Cl)CN[C@H]1CN(C(=O)[C@@H]2CC=CCC2)CC1(C)C ZINC000995452248 625703103 /nfs/dbraw/zinc/70/31/03/625703103.db2.gz ZSOULSZUOPMQGA-KGLIPLIRSA-N 0 1 296.842 2.922 20 30 CFEDMN CCOc1ccc(O)c(CN=Nc2ccccn2)c1 ZINC000916273428 624233561 /nfs/dbraw/zinc/23/35/61/624233561.db2.gz CRXKBLFXGPZAQL-UHFFFAOYSA-N 0 1 257.293 2.632 20 30 CFEDMN COc1cccc(C=NNc2ccccn2)c1OC ZINC000916276186 624234417 /nfs/dbraw/zinc/23/44/17/624234417.db2.gz OOPISZMYBXDOGM-UHFFFAOYSA-N 0 1 257.293 2.545 20 30 CFEDMN C#CCN1CCC[C@@H](NC(=O)c2ccc(Cl)cc2)[C@H]1C ZINC000994267512 624267457 /nfs/dbraw/zinc/26/74/57/624267457.db2.gz XJQOJSPOANTNIY-IUODEOHRSA-N 0 1 290.794 2.556 20 30 CFEDMN C=CCN1CCC[C@@H](NC(=O)c2ncccc2Cl)[C@@H]1C ZINC000994269668 624267547 /nfs/dbraw/zinc/26/75/47/624267547.db2.gz DQZBJILEIXGEOR-WCQYABFASA-N 0 1 293.798 2.504 20 30 CFEDMN C=CCN1CCC[C@@H](NC(=O)c2ccc(F)cc2F)[C@@H]1C ZINC000994334603 624277185 /nfs/dbraw/zinc/27/71/85/624277185.db2.gz YYUHWPWUELOMKH-XHDPSFHLSA-N 0 1 294.345 2.734 20 30 CFEDMN CC#CC[N@@H+]1CCC[C@@H](NC(=O)c2ccc(CC)cc2)[C@H]1C ZINC000994356995 624277762 /nfs/dbraw/zinc/27/77/62/624277762.db2.gz WXJZXPZFQJAQHV-CRAIPNDOSA-N 0 1 298.430 2.855 20 30 CFEDMN CC#CCN1CCC[C@@H](NC(=O)c2ccc(CC)cc2)[C@H]1C ZINC000994356995 624277768 /nfs/dbraw/zinc/27/77/68/624277768.db2.gz WXJZXPZFQJAQHV-CRAIPNDOSA-N 0 1 298.430 2.855 20 30 CFEDMN CC#CC[N@@H+]1CCC[C@@H](NC(=O)c2ccc(CC)cc2)[C@@H]1C ZINC000994357002 624278049 /nfs/dbraw/zinc/27/80/49/624278049.db2.gz WXJZXPZFQJAQHV-MAUKXSAKSA-N 0 1 298.430 2.855 20 30 CFEDMN CC#CCN1CCC[C@@H](NC(=O)c2ccc(CC)cc2)[C@@H]1C ZINC000994357002 624278052 /nfs/dbraw/zinc/27/80/52/624278052.db2.gz WXJZXPZFQJAQHV-MAUKXSAKSA-N 0 1 298.430 2.855 20 30 CFEDMN C=CC[N@@H+]1CCC[C@@H](NC(=O)c2cc3ccccc3[nH]2)[C@@H]1C ZINC000994370004 624278233 /nfs/dbraw/zinc/27/82/33/624278233.db2.gz ZQWIFTCPHHIPSM-DZGCQCFKSA-N 0 1 297.402 2.937 20 30 CFEDMN C=CCN1CCC[C@@H](NC(=O)c2cc3ccccc3[nH]2)[C@@H]1C ZINC000994370004 624278239 /nfs/dbraw/zinc/27/82/39/624278239.db2.gz ZQWIFTCPHHIPSM-DZGCQCFKSA-N 0 1 297.402 2.937 20 30 CFEDMN C=C(C)C[N@H+]1CC[C@@H](NC(=O)c2ccc(C)cc2F)C1 ZINC001015745915 624278525 /nfs/dbraw/zinc/27/85/25/624278525.db2.gz KHYLACXJIUYOIT-CYBMUJFWSA-N 0 1 276.355 2.514 20 30 CFEDMN C=C(C)CN1CC[C@@H](NC(=O)c2ccc(C)cc2F)C1 ZINC001015745915 624278526 /nfs/dbraw/zinc/27/85/26/624278526.db2.gz KHYLACXJIUYOIT-CYBMUJFWSA-N 0 1 276.355 2.514 20 30 CFEDMN Cc1cc(C(C#N)C(=O)CCC(C)(F)F)nc(C)n1 ZINC000916880109 624290337 /nfs/dbraw/zinc/29/03/37/624290337.db2.gz KGTDCYCYLKTBIY-SNVBAGLBSA-N 0 1 267.279 2.705 20 30 CFEDMN C=C(C)C[N@@H+](CC)C[C@@H](O)c1cc(OC)ccc1OC ZINC000916968111 624296371 /nfs/dbraw/zinc/29/63/71/624296371.db2.gz OLKJHBTUMFRWHL-OAHLLOKOSA-N 0 1 279.380 2.635 20 30 CFEDMN C#CCN1CCC[C@H](NC(=O)c2ccc(C3CC3)cc2)[C@@H]1C ZINC000994448517 624299043 /nfs/dbraw/zinc/29/90/43/624299043.db2.gz FMUKNFVZANXAJQ-KSSFIOAISA-N 0 1 296.414 2.780 20 30 CFEDMN C[C@@H]1CCCCN1CC(N)=NOCCCCC(F)(F)F ZINC000154332313 624325224 /nfs/dbraw/zinc/32/52/24/624325224.db2.gz FWXGJBPJKIUZER-LLVKDONJSA-N 0 1 295.349 2.882 20 30 CFEDMN Clc1ccc(C=NNc2ncnc3nc[nH]c32)s1 ZINC000917554655 624358773 /nfs/dbraw/zinc/35/87/73/624358773.db2.gz CJDYMGDMDWHEQI-UHFFFAOYSA-N 0 1 278.728 2.514 20 30 CFEDMN C=C1CCC(C(=O)N2CCc3nc[nH]c3C23CCC3)CC1 ZINC000829051850 624360252 /nfs/dbraw/zinc/36/02/52/624360252.db2.gz LASPMWLAPIORFI-UHFFFAOYSA-N 0 1 285.391 2.920 20 30 CFEDMN C=CCC(CC=C)C(=O)N1CCc2nc[nH]c2C12CCC2 ZINC000829078975 624368086 /nfs/dbraw/zinc/36/80/86/624368086.db2.gz FIIQHTDKXPJBGZ-UHFFFAOYSA-N 0 1 285.391 2.942 20 30 CFEDMN C=CCN(C(=O)NC[C@H](c1ccsc1)N(C)C)C(C)C ZINC000918064710 624414055 /nfs/dbraw/zinc/41/40/55/624414055.db2.gz IPQCIMOKQVXDIG-CQSZACIVSA-N 0 1 295.452 2.957 20 30 CFEDMN Cc1ccc(CON=C(N)c2ccc(N(C)C)cc2)cc1 ZINC000918185764 624426032 /nfs/dbraw/zinc/42/60/32/624426032.db2.gz ZVBSOZFEFGHYDR-UHFFFAOYSA-N 0 1 283.375 2.898 20 30 CFEDMN C[C@@H]1CC(=NC(=O)c2ccc(SC(F)(F)F)o2)NO1 ZINC000867062856 624456005 /nfs/dbraw/zinc/45/60/05/624456005.db2.gz KMOUTIMVCZFHND-RXMQYKEDSA-N 0 1 294.254 2.744 20 30 CFEDMN C#CC[C@@H]1CCCN(CC(=O)c2cc(C)n(C)c2C)C1 ZINC000829773622 624531566 /nfs/dbraw/zinc/53/15/66/624531566.db2.gz GXPICCPZISMVDE-OAHLLOKOSA-N 0 1 272.392 2.560 20 30 CFEDMN C#CC[C@H]1CCCN(Cc2nnc(-c3ccccc3)o2)C1 ZINC000829774291 624531592 /nfs/dbraw/zinc/53/15/92/624531592.db2.gz OWWYPNIUOXLVEW-AWEZNQCLSA-N 0 1 281.359 2.972 20 30 CFEDMN C#CC[C@@H]1CCCN(Cc2noc3c2CCCC3)C1 ZINC000829783807 624536502 /nfs/dbraw/zinc/53/65/02/624536502.db2.gz CFCKGSSMTGSQJQ-CYBMUJFWSA-N 0 1 258.365 2.789 20 30 CFEDMN C#CC[C@@H]1CCCN(Cc2cn(C)nc2C(F)F)C1 ZINC000829810330 624548905 /nfs/dbraw/zinc/54/89/05/624548905.db2.gz OCESRPWUUNWTEI-LLVKDONJSA-N 0 1 267.323 2.593 20 30 CFEDMN C#CC[C@H]1CCC[N@H+](Cc2cc([O-])ccc2[N+](=O)[O-])C1 ZINC000829809521 624549677 /nfs/dbraw/zinc/54/96/77/624549677.db2.gz CNQKMEUVXWRJTJ-LBPRGKRZSA-N 0 1 274.320 2.536 20 30 CFEDMN CC(C)[C@@H](C#N)N1CCN(CCCC(C)(F)F)CC1 ZINC000930113865 624666048 /nfs/dbraw/zinc/66/60/48/624666048.db2.gz FRMYLDNPJMJKGY-CYBMUJFWSA-N 0 1 273.371 2.588 20 30 CFEDMN C=CCN(CCCS(=O)(=O)c1ccc(F)cc1)C(C)C ZINC000920086821 624676081 /nfs/dbraw/zinc/67/60/81/624676081.db2.gz LREVEEOHRFOWJG-UHFFFAOYSA-N 0 1 299.411 2.886 20 30 CFEDMN C#CC1CCN(Cc2cc3c(c(Cl)c2)OCO3)CC1 ZINC000830311847 624705962 /nfs/dbraw/zinc/70/59/62/624705962.db2.gz XLRHCIUYWBHOEQ-UHFFFAOYSA-N 0 1 277.751 2.914 20 30 CFEDMN C#CC1CCN([C@H](C)C(=O)Nc2cc(C)cc(C)c2)CC1 ZINC000830316239 624705972 /nfs/dbraw/zinc/70/59/72/624705972.db2.gz JYCIRKKEUAPLHN-OAHLLOKOSA-N 0 1 284.403 2.976 20 30 CFEDMN C#CC1CCN(Cc2cc([N+](=O)[O-])ccc2OCC)CC1 ZINC000830326189 624708935 /nfs/dbraw/zinc/70/89/35/624708935.db2.gz FOLLGWMQHMITDN-UHFFFAOYSA-N 0 1 288.347 2.839 20 30 CFEDMN C#CCNC(=O)[C@H](C)N1CC2(CC=CC2)[C@H]1c1ccccc1 ZINC000830746405 624837322 /nfs/dbraw/zinc/83/73/22/624837322.db2.gz XKRPHJQLCWYTPR-DOTOQJQBSA-N 0 1 294.398 2.518 20 30 CFEDMN C=C1CCC(CNC(=O)c2cccc3nc(CO)[nH]c32)CC1 ZINC000830985350 624947180 /nfs/dbraw/zinc/94/71/80/624947180.db2.gz QYLLUDUANCVPQA-UHFFFAOYSA-N 0 1 299.374 2.531 20 30 CFEDMN C#CCCCCC(=O)Nc1nc(-c2ccc(C)cc2)n[nH]1 ZINC000180127800 624998307 /nfs/dbraw/zinc/99/83/07/624998307.db2.gz DQYZBLONCNMIHU-UHFFFAOYSA-N 0 1 282.347 2.912 20 30 CFEDMN CC(C)c1cc([C@@H]2CCCN(C(=O)[C@@H](C)CC#N)C2)n[nH]1 ZINC000831879688 625164150 /nfs/dbraw/zinc/16/41/50/625164150.db2.gz NDHGTHDJFOMCJH-QWHCGFSZSA-N 0 1 288.395 2.789 20 30 CFEDMN CCOc1ncccc1CNCc1ccc(C#N)cc1 ZINC000069678375 625205103 /nfs/dbraw/zinc/20/51/03/625205103.db2.gz WQRONDVLEKAQPN-UHFFFAOYSA-N 0 1 267.332 2.642 20 30 CFEDMN CCCCCNC(=O)C(C#N)C(=O)CC1CCCCC1 ZINC000069911324 625243882 /nfs/dbraw/zinc/24/38/82/625243882.db2.gz GPFBUSSYCYKTGD-CQSZACIVSA-N 0 1 278.396 2.972 20 30 CFEDMN C=C(Cl)CN[C@@H]1CN(C(=O)[C@@H]2CC23CCC3)CC1(C)C ZINC000996362663 625897009 /nfs/dbraw/zinc/89/70/09/625897009.db2.gz ZGIHRAPGYIIITP-QWHCGFSZSA-N 0 1 296.842 2.756 20 30 CFEDMN C=C(Cl)CN[C@@H]1CN(C(=O)[C@H]2CC23CCC3)CC1(C)C ZINC000996362661 625898874 /nfs/dbraw/zinc/89/88/74/625898874.db2.gz ZGIHRAPGYIIITP-CHWSQXEVSA-N 0 1 296.842 2.756 20 30 CFEDMN C[C@H]1CC[C@H](C)C(=NNCCN2CCCCC2)C1 ZINC000834943097 625930394 /nfs/dbraw/zinc/93/03/94/625930394.db2.gz PZDNJAABONHIGS-KBPBESRZSA-N 0 1 251.418 2.874 20 30 CFEDMN COc1cc(F)cc(N=NC2C[C@H](C)n3ccnc32)c1 ZINC000834961652 625933513 /nfs/dbraw/zinc/93/35/13/625933513.db2.gz PFMXJCZVBZCSNQ-VIFPVBQESA-N 0 1 274.299 2.812 20 30 CFEDMN C[C@H](NN=Cc1cc(F)c(O)c(F)c1)C(F)(F)F ZINC000835002095 625950724 /nfs/dbraw/zinc/95/07/24/625950724.db2.gz QVURIYZZLAQJIL-YFKPBYRVSA-N 0 1 268.185 2.545 20 30 CFEDMN C=C(C)CN(CC)Cc1ccc(Br)nc1N ZINC000929216503 625973242 /nfs/dbraw/zinc/97/32/42/625973242.db2.gz CRJATESLIOXABA-UHFFFAOYSA-N 0 1 284.201 2.824 20 30 CFEDMN N#C[C@H](NC(=O)c1ccc(O)c(Cl)c1)C1CCCC1 ZINC000921538153 625980752 /nfs/dbraw/zinc/98/07/52/625980752.db2.gz AEOYRCSAGSLRCX-LBPRGKRZSA-N 0 1 278.739 2.858 20 30 CFEDMN N#Cc1ccc(F)c(NC(=O)N[C@@H]2CCCc3cn[nH]c32)c1 ZINC000888362276 626004180 /nfs/dbraw/zinc/00/41/80/626004180.db2.gz UDSAPLUXTICIKD-GFCCVEGCSA-N 0 1 299.309 2.620 20 30 CFEDMN C=C(Cl)CN[C@@H]1CCCN(C(=O)C2CCCCC2)C1 ZINC000998422462 626049462 /nfs/dbraw/zinc/04/94/62/626049462.db2.gz KKFSTQNCTLTJHW-CQSZACIVSA-N 0 1 284.831 2.900 20 30 CFEDMN C=C(Cl)CN[C@@H]1CCCN(C(=O)c2cc(C)oc2C)C1 ZINC000998505858 626054094 /nfs/dbraw/zinc/05/40/94/626054094.db2.gz LUYIKWIKBSCBIX-CYBMUJFWSA-N 0 1 296.798 2.843 20 30 CFEDMN C=C(Cl)CN[C@@H]1CCCN(C(=O)/C=C(\C)C2CC2)C1 ZINC000998634828 626058918 /nfs/dbraw/zinc/05/89/18/626058918.db2.gz MHPWFWBALUEVKG-BMGYJQCNSA-N 0 1 282.815 2.676 20 30 CFEDMN C=CCN1CC[C@H](NC(=O)C2(c3ccccc3C)CCC2)C1 ZINC001016125456 626062980 /nfs/dbraw/zinc/06/29/80/626062980.db2.gz YVPJQALJDIOSPS-INIZCTEOSA-N 0 1 298.430 2.793 20 30 CFEDMN C/C=C(\C)C(=O)N1CCC[C@H](NCc2ccccc2C#N)C1 ZINC000998886219 626063704 /nfs/dbraw/zinc/06/37/04/626063704.db2.gz POLSMTMOZILFHD-ZTWVHDNBSA-N 0 1 297.402 2.605 20 30 CFEDMN C#CCOc1ccccc1CNCc1cccc2c1OCC2 ZINC000921742500 626102943 /nfs/dbraw/zinc/10/29/43/626102943.db2.gz FDRSVCBKSCUWBP-UHFFFAOYSA-N 0 1 293.366 2.923 20 30 CFEDMN C=C(Cl)CN[C@H]1CCCN(C(=O)[C@H]2CC23CCCC3)C1 ZINC001000617520 626127907 /nfs/dbraw/zinc/12/79/07/626127907.db2.gz OEMFCGKNAYAJHQ-UONOGXRCSA-N 0 1 296.842 2.900 20 30 CFEDMN CC#CCN1CC=C(CNC(=O)[C@H]2CCC(C)(C)C2)CC1 ZINC001001123806 626146354 /nfs/dbraw/zinc/14/63/54/626146354.db2.gz XBPZPOBNASOMGF-INIZCTEOSA-N 0 1 288.435 2.584 20 30 CFEDMN N#Cc1cc(CN[C@]2(CO)CCCc3ccccc32)cs1 ZINC000922098304 626208207 /nfs/dbraw/zinc/20/82/07/626208207.db2.gz JBSDQAGIJDCPQV-KRWDZBQOSA-N 0 1 298.411 2.933 20 30 CFEDMN CO[C@@H](C)[C@@H](C)NCc1cc(C#N)ccc1Br ZINC000922136865 626215618 /nfs/dbraw/zinc/21/56/18/626215618.db2.gz GSAWLYFHOZZNHE-ZJUUUORDSA-N 0 1 297.196 2.834 20 30 CFEDMN CC#CCN1CCC(NC(=O)[C@@H]2CCC[C@H]2CCC)CC1 ZINC001003206900 626223743 /nfs/dbraw/zinc/22/37/43/626223743.db2.gz VBHRCFATEUAQCE-NVXWUHKLSA-N 0 1 290.451 2.807 20 30 CFEDMN CC#CCN1CCC(NC(=O)c2occc2C(C)C)CC1 ZINC001003495611 626236181 /nfs/dbraw/zinc/23/61/81/626236181.db2.gz ZTQCRAUJMGRXQI-UHFFFAOYSA-N 0 1 288.391 2.621 20 30 CFEDMN CC(=O)NCc1ccc(CNCc2csc(C#N)c2)cc1 ZINC000922237156 626248652 /nfs/dbraw/zinc/24/86/52/626248652.db2.gz VVFNXSYSLXXYFM-UHFFFAOYSA-N 0 1 299.399 2.546 20 30 CFEDMN CC#CCN1CCC(NC(=O)C[C@@H]2CCCC[C@@H]2C)CC1 ZINC001004244633 626316559 /nfs/dbraw/zinc/31/65/59/626316559.db2.gz HPFMJQZGYLDUEA-HOTGVXAUSA-N 0 1 290.451 2.807 20 30 CFEDMN Cc1ccc(CNCc2cnc(C3CC3)nc2)cc1C#N ZINC000922759446 626359788 /nfs/dbraw/zinc/35/97/88/626359788.db2.gz IKKHPQRHZAOHAE-UHFFFAOYSA-N 0 1 278.359 2.824 20 30 CFEDMN CCC(=O)N1CCCC[C@H]1[C@H](C)NCc1ccccc1C#N ZINC001004652675 626393485 /nfs/dbraw/zinc/39/34/85/626393485.db2.gz INNBNNZYOBZOES-YOEHRIQHSA-N 0 1 299.418 2.827 20 30 CFEDMN CC#CCN1CCC(N(C)C(=O)[C@@]2(C)CC=CCC2)CC1 ZINC001005441730 626415212 /nfs/dbraw/zinc/41/52/12/626415212.db2.gz LTXFUIBMBZCXDT-SFHVURJKSA-N 0 1 288.435 2.679 20 30 CFEDMN C#CCN1CCC(N(C)C(=O)C(C)(C)C2CCCC2)CC1 ZINC001005513738 626416437 /nfs/dbraw/zinc/41/64/37/626416437.db2.gz VMAQGSFJPRUXCR-UHFFFAOYSA-N 0 1 290.451 2.759 20 30 CFEDMN C#CCN1CCC(N(C)C(=O)C2CCCCCCC2)CC1 ZINC001005690044 626419856 /nfs/dbraw/zinc/41/98/56/626419856.db2.gz BDDMVNZMIXSDOC-UHFFFAOYSA-N 0 1 290.451 2.903 20 30 CFEDMN C#CCN1CCC(N(C)C(=O)C2(C3CCC3)CCC2)CC1 ZINC001005789780 626421202 /nfs/dbraw/zinc/42/12/02/626421202.db2.gz UUTJKQXJRGKNPV-UHFFFAOYSA-N 0 1 288.435 2.513 20 30 CFEDMN Cc1cc(C#N)cc(C)c1CNCc1cncc(O)c1 ZINC000922975702 626435899 /nfs/dbraw/zinc/43/58/99/626435899.db2.gz ISRIIXXUGKEHKB-UHFFFAOYSA-N 0 1 267.332 2.566 20 30 CFEDMN CCOC(=O)/C=C/CN(Cc1ccc(C#N)cc1)C1CC1 ZINC000929367712 626455332 /nfs/dbraw/zinc/45/53/32/626455332.db2.gz QUBFHJOEIFXJSW-ONEGZZNKSA-N 0 1 284.359 2.642 20 30 CFEDMN C[C@H](c1cccc(C(F)(F)F)c1)N(C)C[C@H](O)CC#N ZINC000929372395 626458873 /nfs/dbraw/zinc/45/88/73/626458873.db2.gz ORTHHHNCZAHJRE-ZWNOBZJWSA-N 0 1 286.297 2.973 20 30 CFEDMN C[C@H](NC[C@@H](C#N)CCC#N)c1ccc(N(C)C)cc1 ZINC000774481107 626481809 /nfs/dbraw/zinc/48/18/09/626481809.db2.gz HPCWYZIAEWBJIV-UONOGXRCSA-N 0 1 270.380 2.847 20 30 CFEDMN C=CCC1(C(=O)OCc2n[nH]c(CC)n2)CCCCC1 ZINC000838152990 626487270 /nfs/dbraw/zinc/48/72/70/626487270.db2.gz ADMMQZHPJQYOIA-UHFFFAOYSA-N 0 1 277.368 2.937 20 30 CFEDMN CC(C)CCCCC(=O)C(C#N)C(=O)Nc1ccccn1 ZINC000838790550 626507033 /nfs/dbraw/zinc/50/70/33/626507033.db2.gz HBGVTKAMSWLBOC-CYBMUJFWSA-N 0 1 287.363 2.945 20 30 CFEDMN C#CCOc1ccc(CNCc2cnc(C3CC3)nc2)cc1 ZINC000839130560 626527870 /nfs/dbraw/zinc/52/78/70/626527870.db2.gz YRBKJTIKOJBSRR-UHFFFAOYSA-N 0 1 293.370 2.656 20 30 CFEDMN Cn1c(Cl)nc(Cl)c1CNCC(C)(C)CC#N ZINC000839162652 626531414 /nfs/dbraw/zinc/53/14/14/626531414.db2.gz BRVGNBNQRPQYQP-UHFFFAOYSA-N 0 1 275.183 2.756 20 30 CFEDMN CC(C)(CC#N)CNCc1ccnc(Cl)c1F ZINC000839164111 626531527 /nfs/dbraw/zinc/53/15/27/626531527.db2.gz ZBEQAEYDDIHTKO-UHFFFAOYSA-N 0 1 255.724 2.904 20 30 CFEDMN C#CCCC[N@H+]([C@H](C)C(=O)OC(C)(C)C)C1CC1 ZINC000839632309 626549024 /nfs/dbraw/zinc/54/90/24/626549024.db2.gz SVWYLAPBKMTMRB-GFCCVEGCSA-N 0 1 251.370 2.594 20 30 CFEDMN C#CCCCN([C@H](C)C(=O)OC(C)(C)C)C1CC1 ZINC000839632309 626549025 /nfs/dbraw/zinc/54/90/25/626549025.db2.gz SVWYLAPBKMTMRB-GFCCVEGCSA-N 0 1 251.370 2.594 20 30 CFEDMN COCc1ccc(C=NNc2ncccc2C)cc1 ZINC000790191546 626549052 /nfs/dbraw/zinc/54/90/52/626549052.db2.gz WECYOWLONGXLOP-UHFFFAOYSA-N 0 1 255.321 2.982 20 30 CFEDMN Cc1nn(C)c(Cl)c1/C=C\C(=O)c1ccc(O)cc1O ZINC000757466982 626552933 /nfs/dbraw/zinc/55/29/33/626552933.db2.gz AJCMMPFMJGOMDT-WAYWQWQTSA-N 0 1 292.722 2.689 20 30 CFEDMN N#Cc1cc(F)ccc1COC(=O)[C@H]1CCCc2[nH]ncc21 ZINC000758135301 626578327 /nfs/dbraw/zinc/57/83/27/626578327.db2.gz HAONNZAXWKCTBC-ZDUSSCGKSA-N 0 1 299.305 2.584 20 30 CFEDMN CN(Cn1cccc(C#N)c1=O)[C@@H]1CCCc2ccccc21 ZINC000758186908 626580886 /nfs/dbraw/zinc/58/08/86/626580886.db2.gz QVXGDZDMIZADOJ-QGZVFWFLSA-N 0 1 293.370 2.687 20 30 CFEDMN CC[C@@H](C)[C@H]1CCCCN1Cn1ccc(C)c(C#N)c1=O ZINC000758224306 626583958 /nfs/dbraw/zinc/58/39/58/626583958.db2.gz TVLBVAAMXNBFJF-CZUORRHYSA-N 0 1 287.407 2.887 20 30 CFEDMN CC(C)CC[C@@H]1CCCN1Cn1cccc(C#N)c1=O ZINC000758239574 626584595 /nfs/dbraw/zinc/58/45/95/626584595.db2.gz NDFMMDARIDBCMD-HNNXBMFYSA-N 0 1 273.380 2.578 20 30 CFEDMN CCCCCCCN1CC(=O)N[C@H]2CCCC[C@H]21 ZINC000758775354 626608334 /nfs/dbraw/zinc/60/83/34/626608334.db2.gz UXVZDNZMANSTQT-UONOGXRCSA-N 0 1 252.402 2.700 20 30 CFEDMN Fc1ccc(C=NNc2cnccn2)c2ncccc12 ZINC000759193928 626635170 /nfs/dbraw/zinc/63/51/70/626635170.db2.gz WBKKLVLDAXEBCK-UHFFFAOYSA-N 0 1 267.267 2.610 20 30 CFEDMN Cc1ccc(NN=Cc2cnc(C3CCC3)s2)nn1 ZINC000760253708 626724777 /nfs/dbraw/zinc/72/47/77/626724777.db2.gz WVLBCMJFJRIJBG-UHFFFAOYSA-N 0 1 273.365 2.955 20 30 CFEDMN N#CC(C(=O)CCCOc1ccccc1F)c1ccncn1 ZINC000760338047 626736531 /nfs/dbraw/zinc/73/65/31/626736531.db2.gz CZPVONOOIJZNTJ-LBPRGKRZSA-N 0 1 299.305 2.651 20 30 CFEDMN N#CC(C(=O)C=CSCc1ccco1)c1ccncn1 ZINC000760340890 626737106 /nfs/dbraw/zinc/73/71/06/626737106.db2.gz OXMXYUJYTBMMPH-RPTYSRGTSA-N 0 1 285.328 2.693 20 30 CFEDMN CC[C@H](Oc1cccc(C)c1)C(=O)C(C#N)c1ccncn1 ZINC000760347971 626738030 /nfs/dbraw/zinc/73/80/30/626738030.db2.gz YRIIPZMPYPLLDD-HOCLYGCPSA-N 0 1 295.342 2.819 20 30 CFEDMN N#CC(C(=O)C=Cc1ccccc1F)c1ccncn1 ZINC000760356531 626739167 /nfs/dbraw/zinc/73/91/67/626739167.db2.gz HZVSUHCYZHKHRY-FOQNGQEVSA-N 0 1 267.263 2.505 20 30 CFEDMN CC[C@@H](Oc1ccccc1C)C(=O)C(C#N)c1ccncn1 ZINC000760358159 626739350 /nfs/dbraw/zinc/73/93/50/626739350.db2.gz NKZWSZZLEVSGGY-UKRRQHHQSA-N 0 1 295.342 2.819 20 30 CFEDMN N#C[C@H](C(=O)Cc1c(F)cccc1Cl)c1ccncn1 ZINC000760359709 626739740 /nfs/dbraw/zinc/73/97/40/626739740.db2.gz UKDVPMMGHKAEKV-JTQLQIEISA-N 0 1 289.697 2.688 20 30 CFEDMN C=CCN(Cc1cccs1)C(=O)[C@H](C)N1CC[C@H]2C[C@H]21 ZINC000761086336 626800113 /nfs/dbraw/zinc/80/01/13/626800113.db2.gz NRZNMOCVFSKEPP-KCQAQPDRSA-N 0 1 290.432 2.745 20 30 CFEDMN CN(C)c1ccc2c(c1)N(C)C(=O)C2=[NH+][N-]c1ccccc1 ZINC000761724409 626855596 /nfs/dbraw/zinc/85/55/96/626855596.db2.gz SHLMCZXPINNONI-UHFFFAOYSA-N 0 1 294.358 2.545 20 30 CFEDMN Cc1ccc(NN=Cc2ccc(F)c(C#N)c2Cl)nn1 ZINC000761807429 626859883 /nfs/dbraw/zinc/85/98/83/626859883.db2.gz PVIXZXNQCWUPOB-UHFFFAOYSA-N 0 1 289.701 2.895 20 30 CFEDMN Cc1cc(N=NCc2cnc(C3CC3)s2)nc(C)n1 ZINC000761805894 626860021 /nfs/dbraw/zinc/86/00/21/626860021.db2.gz MSEOYZGSGJHESU-UHFFFAOYSA-N 0 1 273.365 2.873 20 30 CFEDMN Clc1cccc(C=NNc2ccc(-n3ccnc3)nn2)c1 ZINC000761848555 626863432 /nfs/dbraw/zinc/86/34/32/626863432.db2.gz ZISYGJXXYSRDCK-UHFFFAOYSA-N 0 1 298.737 2.762 20 30 CFEDMN Cc1ccc(CN=Nc2cnn(C)c2)cc1Br ZINC000761860232 626865465 /nfs/dbraw/zinc/86/54/65/626865465.db2.gz JBSVRBXBRBCNGJ-UHFFFAOYSA-N 0 1 293.168 2.937 20 30 CFEDMN Cn1cc(N=NCc2cccc3c2OC(C)(C)C3)cn1 ZINC000761863874 626866213 /nfs/dbraw/zinc/86/62/13/626866213.db2.gz DTPQAIQOWOFREH-UHFFFAOYSA-N 0 1 270.336 2.580 20 30 CFEDMN Cn1cc(N=NCc2ccc(Br)cc2)cn1 ZINC000761864232 626866247 /nfs/dbraw/zinc/86/62/47/626866247.db2.gz GVLGNSQIXAYTDJ-UHFFFAOYSA-N 0 1 279.141 2.629 20 30 CFEDMN CCCOc1ccc(CN=Nc2cnn(C)c2)cc1OC ZINC000761865749 626866396 /nfs/dbraw/zinc/86/63/96/626866396.db2.gz MAHIUOSNKFJJJW-UHFFFAOYSA-N 0 1 288.351 2.664 20 30 CFEDMN Cc1ccc2c(c1)OCCCC2=NNc1cnn(C)c1 ZINC000761865970 626866623 /nfs/dbraw/zinc/86/66/23/626866623.db2.gz PJPLGHGVZAAYDM-UHFFFAOYSA-N 0 1 270.336 2.717 20 30 CFEDMN Cc1cc(CN=Nc2cnn(C)c2)ccc1Br ZINC000761881064 626867759 /nfs/dbraw/zinc/86/77/59/626867759.db2.gz IXAWGRNYQYYZRT-UHFFFAOYSA-N 0 1 293.168 2.937 20 30 CFEDMN COc1cc(C)ccc1C(C)=NNc1cnn(C)c1 ZINC000761868564 626867762 /nfs/dbraw/zinc/86/77/62/626867762.db2.gz HJCBWLZOQRLLEP-UHFFFAOYSA-N 0 1 258.325 2.573 20 30 CFEDMN Cc1cc(C(C#N)C(=O)CC2CCSCC2)nc(C)n1 ZINC000762064303 626885475 /nfs/dbraw/zinc/88/54/75/626885475.db2.gz GXJDRIZVFYKQCA-ZDUSSCGKSA-N 0 1 289.404 2.803 20 30 CFEDMN C#C[C@H](NCc1cn2cccc(F)c2n1)C(C)(C)C ZINC000809781116 626909339 /nfs/dbraw/zinc/90/93/39/626909339.db2.gz HPFNGSBTXMAWQW-ZDUSSCGKSA-N 0 1 259.328 2.611 20 30 CFEDMN C[C@H]1CC(=NC(=O)c2cc3c(s2)CCCCC3)NO1 ZINC000763258111 626973734 /nfs/dbraw/zinc/97/37/34/626973734.db2.gz GPPKSKITFSULTJ-VIFPVBQESA-N 0 1 278.377 2.869 20 30 CFEDMN C[C@H]1CC(=NC(=O)c2cc3ccccc3s2)NO1 ZINC000763262294 626974153 /nfs/dbraw/zinc/97/41/53/626974153.db2.gz XGHRFOGDVMMHIW-QMMMGPOBSA-N 0 1 260.318 2.753 20 30 CFEDMN C[C@@H]1CC(NC(=O)c2cnc(-c3ccccc3)s2)=NO1 ZINC000763261325 626974267 /nfs/dbraw/zinc/97/42/67/626974267.db2.gz QWHCXLQZXRHOPV-SECBINFHSA-N 0 1 287.344 2.662 20 30 CFEDMN CC(=NNC1=N[C@H]2CCCC[C@@H]2N1)c1cc(C)ccc1F ZINC000763370787 626983480 /nfs/dbraw/zinc/98/34/80/626983480.db2.gz URSNBJBIQSZESC-GJZGRUSLSA-N 0 1 288.370 2.718 20 30 CFEDMN C=C(Cl)CNCc1ccc(O[C@H](C)C#N)cc1 ZINC000763430256 626988915 /nfs/dbraw/zinc/98/89/15/626988915.db2.gz CHHHQJTUEKGQMH-LLVKDONJSA-N 0 1 250.729 2.820 20 30 CFEDMN CCCCCCCC[N@H+]1CCC[C@H](S(C)(=O)=O)C1 ZINC000763910757 627021507 /nfs/dbraw/zinc/02/15/07/627021507.db2.gz FAJOODOSTTYXKX-AWEZNQCLSA-N 0 1 275.458 2.856 20 30 CFEDMN CCCCCCCCN1CCC[C@H](S(C)(=O)=O)C1 ZINC000763910757 627021509 /nfs/dbraw/zinc/02/15/09/627021509.db2.gz FAJOODOSTTYXKX-AWEZNQCLSA-N 0 1 275.458 2.856 20 30 CFEDMN Nc1ncccc1C=[NH+][N-]c1ncc(Cl)cc1Cl ZINC000764668530 627082267 /nfs/dbraw/zinc/08/22/67/627082267.db2.gz XVULRIQBUMVWAY-UHFFFAOYSA-N 0 1 282.134 2.812 20 30 CFEDMN CC#CCCN1C[C@@H](C)N(C(=O)OC(C)(C)C)C[C@@H]1C ZINC000764980769 627110435 /nfs/dbraw/zinc/11/04/35/627110435.db2.gz FWCNUSDYLUKNDS-UONOGXRCSA-N 0 1 280.412 2.730 20 30 CFEDMN Cc1ncc([C@H](C)NCc2ccc(C#N)cc2)c(C)n1 ZINC000765015044 627112762 /nfs/dbraw/zinc/11/27/62/627112762.db2.gz MVZMCTFQUPGBJE-NSHDSACASA-N 0 1 266.348 2.816 20 30 CFEDMN FC(F)(F)c1csc(N=NC2CCN3CCC[C@@H]23)n1 ZINC000765579468 627148552 /nfs/dbraw/zinc/14/85/52/627148552.db2.gz BFULKJSKRFOVOQ-QMMMGPOBSA-N 0 1 290.314 2.798 20 30 CFEDMN COc1ccc(NN=Cc2ccco2)c([N+](=O)[O-])c1 ZINC000767801919 627286316 /nfs/dbraw/zinc/28/63/16/627286316.db2.gz XFRMFUFAMVSDMR-UHFFFAOYSA-N 0 1 261.237 2.642 20 30 CFEDMN CC[C@@H]1CO[C@@H](C)CN1Cc1ccc(O[C@@H](C)C#N)cc1 ZINC000768174638 627323520 /nfs/dbraw/zinc/32/35/20/627323520.db2.gz ZIVYFBCNTHMACK-OFQRWUPVSA-N 0 1 288.391 2.977 20 30 CFEDMN C=CCN(Cc1c(C)nc2sc(C)nn12)C(C)C ZINC000768551621 627353522 /nfs/dbraw/zinc/35/35/22/627353522.db2.gz QYZIKFOYBGIJJV-UHFFFAOYSA-N 0 1 264.398 2.804 20 30 CFEDMN CC#CCCCC(=O)OCCN(C)Cc1ccc(F)cc1 ZINC000769140651 627406391 /nfs/dbraw/zinc/40/63/91/627406391.db2.gz SVCCICLAYSLUFD-UHFFFAOYSA-N 0 1 291.366 2.994 20 30 CFEDMN C#CC[N@H+](CC#CC)Cc1cccc(Br)c1[O-] ZINC000769452174 627441010 /nfs/dbraw/zinc/44/10/10/627441010.db2.gz QYTUKCRITBONJA-UHFFFAOYSA-N 0 1 292.176 2.613 20 30 CFEDMN C#CCOc1ccc(NC(=O)c2cn[nH]c2C2CC2)cc1 ZINC000769711388 627468836 /nfs/dbraw/zinc/46/88/36/627468836.db2.gz FBQCPJRHBAXPNR-UHFFFAOYSA-N 0 1 281.315 2.551 20 30 CFEDMN C[C@@H]1CC(N=Nc2ccc(F)c([N+](=O)[O-])c2)CN1C1CC1 ZINC000769828464 627479672 /nfs/dbraw/zinc/47/96/72/627479672.db2.gz IADLXVFDQNKJQS-SECBINFHSA-N 0 1 292.314 2.758 20 30 CFEDMN C=CCC[C@@H](C)OC(=O)c1ccc(-c2nnc[nH]2)cc1 ZINC000770566293 627530751 /nfs/dbraw/zinc/53/07/51/627530751.db2.gz PRLRZINXZODTGQ-LLVKDONJSA-N 0 1 271.320 2.983 20 30 CFEDMN CCN(CC)c1ccc(C=NNC[C@H](C)C#N)cc1F ZINC000771103456 627577662 /nfs/dbraw/zinc/57/76/62/627577662.db2.gz MMZCCMHCMIMZSH-GFCCVEGCSA-N 0 1 276.359 2.755 20 30 CFEDMN CC(=NNCC(C)C)c1ccc(N2CCCC2)cc1O ZINC000771562078 627614247 /nfs/dbraw/zinc/61/42/47/627614247.db2.gz PCCMXYMQUCZADX-UHFFFAOYSA-N 0 1 275.396 2.962 20 30 CFEDMN COc1ccc(CNCc2ccnc(SC)c2)cc1C#N ZINC000771894839 627644670 /nfs/dbraw/zinc/64/46/70/627644670.db2.gz MSLHFHPGJUUCGZ-UHFFFAOYSA-N 0 1 299.399 2.974 20 30 CFEDMN C#CCN1CCC(C(=O)OC[C@@H]2CCC[C@H](C)C2)CC1 ZINC000772116524 627674559 /nfs/dbraw/zinc/67/45/59/627674559.db2.gz RTIUMNDAUQIXPD-LSDHHAIUSA-N 0 1 277.408 2.701 20 30 CFEDMN CCC(=NN=c1cc[nH]c(N(C)C)n1)c1ccc(C#N)cc1 ZINC000773053115 627774520 /nfs/dbraw/zinc/77/45/20/627774520.db2.gz JFIRSHGSGPGFIW-UHFFFAOYSA-N 0 1 294.362 2.640 20 30 CFEDMN CCC(=NNC1=N[C@H]2CCCC[C@@H]2N1)c1ccc(C#N)cc1 ZINC000773067427 627777915 /nfs/dbraw/zinc/77/79/15/627777915.db2.gz HTYWSPYXHPLOJM-HOTGVXAUSA-N 0 1 295.390 2.532 20 30 CFEDMN C#CCOCCN(C)[C@]1(c2ccccc2)CCCCC1=O ZINC000851965690 634609925 /nfs/dbraw/zinc/60/99/25/634609925.db2.gz UDTSXJUGVKYDAR-SFHVURJKSA-N 0 1 285.387 2.607 20 30 CFEDMN Cc1cc(C(C#N)C(=O)[C@@H]2C[C@]2(C)C(C)C)nc(C)n1 ZINC000773972132 627875517 /nfs/dbraw/zinc/87/55/17/627875517.db2.gz NJUNDGJFTWTLNI-HEHGZKQESA-N 0 1 271.364 2.952 20 30 CFEDMN CC1(C)CCC[C@@H]1C(=O)[C@@H](C#N)C(=O)NC1CCCC1 ZINC000773983401 627875725 /nfs/dbraw/zinc/87/57/25/627875725.db2.gz KAWFLTHUOSVRNS-CHWSQXEVSA-N 0 1 276.380 2.580 20 30 CFEDMN Cc1cc(C(=O)C(C#N)C(=O)Nc2cccc(C)c2)ns1 ZINC000774042305 627881437 /nfs/dbraw/zinc/88/14/37/627881437.db2.gz GLWLGCJTPOVIRB-GFCCVEGCSA-N 0 1 299.355 2.721 20 30 CFEDMN N#Cc1ccc(F)c(CN[C@@H]2CCC[C@@H](C#N)C2)c1 ZINC000774255902 627908764 /nfs/dbraw/zinc/90/87/64/627908764.db2.gz VHFIKFIYFMKCIT-BXUZGUMPSA-N 0 1 257.312 2.869 20 30 CFEDMN Cc1ccc(N[C@@H]2CCC[C@@H](C#N)C2)c(N(C)C)n1 ZINC000774300934 627913742 /nfs/dbraw/zinc/91/37/42/627913742.db2.gz GGKYLQLDTQKXBK-CHWSQXEVSA-N 0 1 258.369 2.950 20 30 CFEDMN CCCc1cccc(C=NNC2=N[C@@H]3CCCC[C@H]3N2)c1 ZINC000774396145 627921406 /nfs/dbraw/zinc/92/14/06/627921406.db2.gz ZANNTLIBIXIQIQ-HZPDHXFCSA-N 0 1 284.407 2.833 20 30 CFEDMN CCC(CC)CNN=Cc1cc(O)ccc1[N+](=O)[O-] ZINC000774463651 627929935 /nfs/dbraw/zinc/92/99/35/627929935.db2.gz RKGIJSAWDJSVNL-UHFFFAOYSA-N 0 1 265.313 2.660 20 30 CFEDMN CC[C@H](C(=O)OCc1cccc(C#N)c1F)N(CC)CC ZINC000774958486 627981544 /nfs/dbraw/zinc/98/15/44/627981544.db2.gz DGDSMKPEAVZDTQ-CQSZACIVSA-N 0 1 292.354 2.861 20 30 CFEDMN C#C[C@H](NCc1coc2ccccc12)[C@@H]1CCCO1 ZINC000775343644 628012257 /nfs/dbraw/zinc/01/22/57/628012257.db2.gz XEFITFCPIIPTMR-HOCLYGCPSA-N 0 1 255.317 2.703 20 30 CFEDMN C#C[C@@H](NCc1cccc(OC(C)C)c1)[C@H]1CCCO1 ZINC000775341637 628012465 /nfs/dbraw/zinc/01/24/65/628012465.db2.gz MMDHZOJZAIFHGD-IAGOWNOFSA-N 0 1 273.376 2.744 20 30 CFEDMN C#C[C@@H](NCc1cccc(OCC(C)C)c1)[C@@H]1CCCO1 ZINC000775342660 628012776 /nfs/dbraw/zinc/01/27/76/628012776.db2.gz SDZDGLMCCANSIS-MSOLQXFVSA-N 0 1 287.403 2.992 20 30 CFEDMN C#C[C@H](NCc1cc2cccc(OC)c2o1)[C@@H]1CCCO1 ZINC000775344979 628013102 /nfs/dbraw/zinc/01/31/02/628013102.db2.gz LAISIPGXKNOTFW-GJZGRUSLSA-N 0 1 285.343 2.712 20 30 CFEDMN C#C[C@H](NCc1ccc(SC)cc1)[C@@H]1CCCO1 ZINC000775346539 628014108 /nfs/dbraw/zinc/01/41/08/628014108.db2.gz CGNABXVCGNYPKY-GJZGRUSLSA-N 0 1 261.390 2.679 20 30 CFEDMN C#C[C@H](N[C@H](C)c1ccc(C)nc1C)[C@H]1CCCO1 ZINC000775571765 628039934 /nfs/dbraw/zinc/03/99/34/628039934.db2.gz LHMMHZHNNKUQBI-VNQPRFMTSA-N 0 1 258.365 2.530 20 30 CFEDMN C#C[C@H](N[C@@H](C)c1sc(C)nc1C)[C@@H]1CCCO1 ZINC000775572945 628040940 /nfs/dbraw/zinc/04/09/40/628040940.db2.gz DRCZIFINGXAOLO-DRZSPHRISA-N 0 1 264.394 2.591 20 30 CFEDMN C#C[C@H](N[C@@H](C)c1cccc([N+](=O)[O-])c1C)[C@@H]1CCCO1 ZINC000775574878 628042560 /nfs/dbraw/zinc/04/25/60/628042560.db2.gz SXJDQZSTLNSGFN-NOLJZWGESA-N 0 1 288.347 2.735 20 30 CFEDMN C#C[C@H](N[C@H](C)c1cccc(OCC)c1)[C@H]1CCCO1 ZINC000775575871 628043294 /nfs/dbraw/zinc/04/32/94/628043294.db2.gz ZWHSHMHQNJOEIE-XOKHGSTOSA-N 0 1 273.376 2.917 20 30 CFEDMN C#C[C@H](NCc1ccc(C(F)F)cc1)[C@H]1CCCO1 ZINC000775791642 628068876 /nfs/dbraw/zinc/06/88/76/628068876.db2.gz NHEUTDSQGMADCE-UONOGXRCSA-N 0 1 265.303 2.895 20 30 CFEDMN C#C[C@@H](NCc1ccccc1C(F)(F)F)[C@H]1CCCO1 ZINC000775798007 628069565 /nfs/dbraw/zinc/06/95/65/628069565.db2.gz HEYPCNOZIJDEIQ-ZIAGYGMSSA-N 0 1 283.293 2.976 20 30 CFEDMN C#C[C@H](NCc1ccccc1C(F)(F)F)[C@H]1CCCO1 ZINC000775798006 628069857 /nfs/dbraw/zinc/06/98/57/628069857.db2.gz HEYPCNOZIJDEIQ-UONOGXRCSA-N 0 1 283.293 2.976 20 30 CFEDMN C#C[C@H](NCc1c(C)nn(C(C)(C)C)c1C)[C@@H]1CCCO1 ZINC000776003130 628092885 /nfs/dbraw/zinc/09/28/85/628092885.db2.gz VNAIXXULKRYITQ-HOTGVXAUSA-N 0 1 289.423 2.525 20 30 CFEDMN CCc1cc(CN[C@H](C)c2cccc(C#N)c2)[nH]n1 ZINC000776159649 628108161 /nfs/dbraw/zinc/10/81/61/628108161.db2.gz YTZZMIIZRDMVSE-LLVKDONJSA-N 0 1 254.337 2.695 20 30 CFEDMN C[C@@H]1CCN(Cc2ccccc2)CC1N=Nc1cnccn1 ZINC000776185592 628112674 /nfs/dbraw/zinc/11/26/74/628112674.db2.gz JFRDDSXCUHLEIW-CQSZACIVSA-N 0 1 295.390 2.787 20 30 CFEDMN C[C@H]1CCN(Cc2ccccc2)CC1N=Nc1ncccn1 ZINC000776185816 628113113 /nfs/dbraw/zinc/11/31/13/628113113.db2.gz MWIALYJMNWSVIC-AWEZNQCLSA-N 0 1 295.390 2.787 20 30 CFEDMN C[C@H]1CCN(Cc2ccccc2)CC1N=Nc1cccnn1 ZINC000776186942 628113700 /nfs/dbraw/zinc/11/37/00/628113700.db2.gz ZSENAROZRRKCTE-AWEZNQCLSA-N 0 1 295.390 2.787 20 30 CFEDMN COC(=O)c1ccccc1NN=Cc1cn2ccccc2n1 ZINC000776189360 628114542 /nfs/dbraw/zinc/11/45/42/628114542.db2.gz HMBDDGXLFFKDLR-UHFFFAOYSA-N 0 1 294.314 2.567 20 30 CFEDMN C=C(C)CNC(=S)N[C@H](C)C[N@@H+](C)Cc1ccccc1 ZINC000776205418 628116399 /nfs/dbraw/zinc/11/63/99/628116399.db2.gz YDMHOCSDABHNDV-CQSZACIVSA-N 0 1 291.464 2.547 20 30 CFEDMN CC(=NNc1cc(C)ncn1)c1cccc(F)c1F ZINC000776259580 628122588 /nfs/dbraw/zinc/12/25/88/628122588.db2.gz KZZATUATUKECNJ-UHFFFAOYSA-N 0 1 262.263 2.899 20 30 CFEDMN C[C@@H]1CC[C@@H](C(=O)C(C#N)C(=O)NC2CCCCC2)C1 ZINC000776514585 628154674 /nfs/dbraw/zinc/15/46/74/628154674.db2.gz FIZXZOHDTRPKLS-BZPMIXESSA-N 0 1 276.380 2.580 20 30 CFEDMN Cc1cc2ccccc2nc1NN=Cc1ncc[nH]1 ZINC000776782332 628177600 /nfs/dbraw/zinc/17/76/00/628177600.db2.gz ISJNOJFNMQYNJC-UHFFFAOYSA-N 0 1 251.293 2.712 20 30 CFEDMN C#C[C@@H](NCc1cc(F)cc(Cl)c1)[C@@H]1CCCO1 ZINC000776800523 628178668 /nfs/dbraw/zinc/17/86/68/628178668.db2.gz OKXYOHBTTMIUTR-KGLIPLIRSA-N 0 1 267.731 2.750 20 30 CFEDMN CCOC(=O)c1ccc(C=NNc2cc(Cl)ccn2)o1 ZINC000777905185 628264067 /nfs/dbraw/zinc/26/40/67/628264067.db2.gz DRQGWHULFJLCIU-UHFFFAOYSA-N 0 1 293.710 2.951 20 30 CFEDMN Clc1ccnc(NN=Cc2cc(-c3cccnc3)n[nH]2)c1 ZINC000777907640 628264489 /nfs/dbraw/zinc/26/44/89/628264489.db2.gz YLSPNPLFDNJEEU-UHFFFAOYSA-N 0 1 298.737 2.966 20 30 CFEDMN C=C(C)CN(C)Cn1nc(C)c2cc([N+](=O)[O-])ccc21 ZINC000777959710 628267678 /nfs/dbraw/zinc/26/76/78/628267678.db2.gz ZOEHPMPHVGPROM-UHFFFAOYSA-N 0 1 274.324 2.718 20 30 CFEDMN C#CCOc1cccc(Cl)c1CNC[C@H](O)CC(C)C ZINC000778161049 628281794 /nfs/dbraw/zinc/28/17/94/628281794.db2.gz HZQQPLJFWQWLRP-CYBMUJFWSA-N 0 1 295.810 2.849 20 30 CFEDMN C#CCOc1cccc(Cl)c1CNCCOC(C)C ZINC000778176363 628283158 /nfs/dbraw/zinc/28/31/58/628283158.db2.gz DVHNNGCPLUDUGM-UHFFFAOYSA-N 0 1 281.783 2.867 20 30 CFEDMN C#CCOc1cccc(Cl)c1CN[C@H](C)C[C@H](C)O ZINC000778176155 628284161 /nfs/dbraw/zinc/28/41/61/628284161.db2.gz AJDSBFUXGROZDY-NEPJUHHUSA-N 0 1 281.783 2.601 20 30 CFEDMN C#CCOc1cccc(Cl)c1CN[C@@H]1C[C@@H](O)C1(C)C ZINC000778192574 628285393 /nfs/dbraw/zinc/28/53/93/628285393.db2.gz BQYBBUPCWWDSCW-HUUCEWRRSA-N 0 1 293.794 2.601 20 30 CFEDMN Cc1cc(C=NNc2cc(Cl)nc(N)n2)c(C)s1 ZINC000778544594 628314087 /nfs/dbraw/zinc/31/40/87/628314087.db2.gz GVLUGAUUDPDHIB-UHFFFAOYSA-N 0 1 281.772 2.837 20 30 CFEDMN CC[C@H](C(=O)OCC(C)(C)CC#N)N(CC)CC ZINC000778729155 628328433 /nfs/dbraw/zinc/32/84/33/628328433.db2.gz KWWKPHJOVFAKRX-GFCCVEGCSA-N 0 1 254.374 2.590 20 30 CFEDMN Cc1ccc(-c2cc(C(=O)N=C3C[C@H](C)ON3)[nH]n2)c(C)c1 ZINC000779040480 628347756 /nfs/dbraw/zinc/34/77/56/628347756.db2.gz WQZDOFOMPGPZHL-NSHDSACASA-N 0 1 298.346 2.546 20 30 CFEDMN C#CCOc1ccccc1CN[C@H](C)c1c[nH]nc1C ZINC000779105485 628352965 /nfs/dbraw/zinc/35/29/65/628352965.db2.gz YOWJITQUZGMFCR-GFCCVEGCSA-N 0 1 269.348 2.581 20 30 CFEDMN Cc1cc(C=NNc2ncnc3nc[nH]c32)ccc1Cl ZINC000779770550 628401748 /nfs/dbraw/zinc/40/17/48/628401748.db2.gz KRTUBANXHZAGIP-UHFFFAOYSA-N 0 1 286.726 2.761 20 30 CFEDMN COc1cccc(N=NCc2occc2Br)n1 ZINC000779816849 628410338 /nfs/dbraw/zinc/41/03/38/628410338.db2.gz GQIHDASFYYTQPF-UHFFFAOYSA-N 0 1 296.124 2.892 20 30 CFEDMN COc1cccc(N=NCc2sc(C)nc2C)n1 ZINC000779816106 628410371 /nfs/dbraw/zinc/41/03/71/628410371.db2.gz BBKCFCZUFMQGEG-UHFFFAOYSA-N 0 1 262.338 2.610 20 30 CFEDMN CCCn1nc(C)c(C=NNc2cccc(OC)n2)c1C ZINC000779819408 628411234 /nfs/dbraw/zinc/41/12/34/628411234.db2.gz PJJPEQBGQSPRFU-UHFFFAOYSA-N 0 1 287.367 2.760 20 30 CFEDMN C#C[C@@](C)(CC)NCC(=O)Nc1c(C)cccc1Cl ZINC000852099745 634653855 /nfs/dbraw/zinc/65/38/55/634653855.db2.gz AQDLTPDXRNACGT-HNNXBMFYSA-N 0 1 278.783 2.978 20 30 CFEDMN C#C[C@@](C)(CC)NCC(=O)Nc1cccc(Cl)c1C ZINC000852099713 634653927 /nfs/dbraw/zinc/65/39/27/634653927.db2.gz PCSJRXYZMOFIGH-HNNXBMFYSA-N 0 1 278.783 2.978 20 30 CFEDMN C#C[C@@](C)(CC)N[C@H](C)C(=O)Nc1cccc2ncccc21 ZINC000852099802 634653975 /nfs/dbraw/zinc/65/39/75/634653975.db2.gz BAQATHOCMFEREO-ACJLOTCBSA-N 0 1 295.386 2.953 20 30 CFEDMN C#C[C@](C)(CC)N[C@@H](C)C(=O)Nc1ccc(C)c(F)c1 ZINC000852100064 634654030 /nfs/dbraw/zinc/65/40/30/634654030.db2.gz SUFMDUUJMYFCDR-BLLLJJGKSA-N 0 1 276.355 2.853 20 30 CFEDMN C#C[C@](C)(CC)NCC(=O)Nc1c(C)cc(C)cc1C ZINC000852099512 634654580 /nfs/dbraw/zinc/65/45/80/634654580.db2.gz ATQHMKJEOWEYBK-QGZVFWFLSA-N 0 1 272.392 2.942 20 30 CFEDMN C#C[C@@](C)(CC)NCC(=O)Nc1ccc(C)cc1Cl ZINC000852101328 634655829 /nfs/dbraw/zinc/65/58/29/634655829.db2.gz QMGCXLYWSUWJKP-HNNXBMFYSA-N 0 1 278.783 2.978 20 30 CFEDMN CC1(C)C[C@@H](NN=Cc2cc(F)c(O)c(F)c2)CCO1 ZINC000780246863 628444564 /nfs/dbraw/zinc/44/45/64/628444564.db2.gz LRGGOJJTMYIYKD-JTQLQIEISA-N 0 1 284.306 2.552 20 30 CFEDMN COc1ccc(NN=C(C)c2cccc(O)c2)nc1 ZINC000780268378 628448607 /nfs/dbraw/zinc/44/86/07/628448607.db2.gz IBJFTPBRBNKPKE-UHFFFAOYSA-N 0 1 257.293 2.632 20 30 CFEDMN COc1ccc(N=NCc2nc(Cl)cs2)nc1 ZINC000780268433 628448733 /nfs/dbraw/zinc/44/87/33/628448733.db2.gz JHUOFGJUPPQLIN-UHFFFAOYSA-N 0 1 268.729 2.646 20 30 CFEDMN COc1ccc(N=NC(C)c2ccc([N+](=O)[O-])cc2)nc1 ZINC000780277442 628449545 /nfs/dbraw/zinc/44/95/45/628449545.db2.gz XHELCFQXWAZKQX-UHFFFAOYSA-N 0 1 286.291 2.835 20 30 CFEDMN N#CC(C(=O)[C@@H]1[C@H]2CCCO[C@H]21)c1ccc2ccccc2n1 ZINC000780300993 628453053 /nfs/dbraw/zinc/45/30/53/628453053.db2.gz FJCFYJFWZAPSGU-VNVHMNPZSA-N 0 1 292.338 2.836 20 30 CFEDMN C#C[C@@](C)(CC)NCC(=O)Nc1cc(Cl)ccc1C#N ZINC000852102489 634656550 /nfs/dbraw/zinc/65/65/50/634656550.db2.gz YLLYOCPUZBQHQR-HNNXBMFYSA-N 0 1 289.766 2.542 20 30 CFEDMN Cc1ccccc1OCCN1CCC(C)(C#N)CC1 ZINC000780332787 628455687 /nfs/dbraw/zinc/45/56/87/628455687.db2.gz KTBBFKGLVDZDKY-UHFFFAOYSA-N 0 1 258.365 3.000 20 30 CFEDMN C[C@H](C#N)Oc1ccc(CNCc2ccc(C#N)cn2)cc1 ZINC000780555064 628475259 /nfs/dbraw/zinc/47/52/59/628475259.db2.gz DOOOZDZHOKRJSE-CYBMUJFWSA-N 0 1 292.342 2.534 20 30 CFEDMN C#CCCOc1ccc(CNCc2ccc(C#N)cn2)cc1 ZINC000780556303 628475947 /nfs/dbraw/zinc/47/59/47/628475947.db2.gz WOOKVPXMBFDFEX-UHFFFAOYSA-N 0 1 291.354 2.645 20 30 CFEDMN N#Cc1ccc(CNCc2c[nH]nc2-c2ccsc2)nc1 ZINC000780558033 628476663 /nfs/dbraw/zinc/47/66/63/628476663.db2.gz HDVODGRFNRATAQ-UHFFFAOYSA-N 0 1 295.371 2.695 20 30 CFEDMN C#C[C@](C)(CC)NCc1cc(Br)cnc1OC ZINC000852104291 634659400 /nfs/dbraw/zinc/65/94/00/634659400.db2.gz GKIBZNBHUBKSMC-CYBMUJFWSA-N 0 1 297.196 2.744 20 30 CFEDMN COc1cccc(NN=C(C)c2ccc(C#N)cc2F)n1 ZINC000781124653 628523252 /nfs/dbraw/zinc/52/32/52/628523252.db2.gz JYNSEWTUYJIHET-UHFFFAOYSA-N 0 1 284.294 2.937 20 30 CFEDMN CCSCCC=Nn1cnnc1-c1ccccc1 ZINC000781124020 628523437 /nfs/dbraw/zinc/52/34/37/628523437.db2.gz SMJFSBRWUXSNOM-UHFFFAOYSA-N 0 1 260.366 2.922 20 30 CFEDMN C#CC[C@H](OC(=O)c1ccc([N+](=O)[O-])[nH]1)C(C)(C)C ZINC000781557177 628559745 /nfs/dbraw/zinc/55/97/45/628559745.db2.gz VWPXUPLQDHMIQE-JTQLQIEISA-N 0 1 264.281 2.518 20 30 CFEDMN N#CCC1CCN(Cn2ncc3cc([N+](=O)[O-])ccc32)CC1 ZINC000781572070 628561033 /nfs/dbraw/zinc/56/10/33/628561033.db2.gz OYUABMKVAQPPCB-UHFFFAOYSA-N 0 1 299.334 2.528 20 30 CFEDMN C=CC[C@H]1CCCC[C@H]1NC(=O)NCc1cc(CC)[nH]n1 ZINC000852129934 634666850 /nfs/dbraw/zinc/66/68/50/634666850.db2.gz GDTQZVDQOCDFNT-SWLSCSKDSA-N 0 1 290.411 2.906 20 30 CFEDMN Clc1csc(C=NNC2=N[C@@H]3CCCC[C@@H]3N2)c1 ZINC000782253330 628619617 /nfs/dbraw/zinc/61/96/17/628619617.db2.gz DXNOYWQWMGPQPF-PHIMTYICSA-N 0 1 282.800 2.595 20 30 CFEDMN C[C@@H]1CN(CCCOc2ccc(C#N)cc2)[C@@H](C)[C@H](C)O1 ZINC000782626210 628649939 /nfs/dbraw/zinc/64/99/39/628649939.db2.gz ZPGLVTJMYXUHJX-ILXRZTDVSA-N 0 1 288.391 2.825 20 30 CFEDMN Cc1cc([C@H](C#N)C(=O)[C@@H]2CCCCS2)nc(C)n1 ZINC000783348815 628700687 /nfs/dbraw/zinc/70/06/87/628700687.db2.gz CVLWJDNGVQDKEK-AAEUAGOBSA-N 0 1 275.377 2.555 20 30 CFEDMN CCC(=NN=c1cc[nH]c(N(C)C)n1)c1cccc(F)c1 ZINC000783516324 628715650 /nfs/dbraw/zinc/71/56/50/628715650.db2.gz JHZKPUQIPCPWFN-UHFFFAOYSA-N 0 1 287.342 2.908 20 30 CFEDMN CC[C@H](C(=O)OCCCC(C)(C)C#N)N(CC)CC ZINC000783787018 628745631 /nfs/dbraw/zinc/74/56/31/628745631.db2.gz YASOBQZVHWAVFJ-CYBMUJFWSA-N 0 1 268.401 2.980 20 30 CFEDMN C[C@H]1CC[C@H](C)N1CC(=O)OCCCC(C)(C)C#N ZINC000785728359 628907305 /nfs/dbraw/zinc/90/73/05/628907305.db2.gz IWBUITWICILTTO-STQMWFEESA-N 0 1 266.385 2.732 20 30 CFEDMN C[C@H]1CC[C@H](C)N1CC(=O)OCc1ccc(CC#N)cc1 ZINC000785728807 628907979 /nfs/dbraw/zinc/90/79/79/628907979.db2.gz JEIROUWOMDOGTC-KBPBESRZSA-N 0 1 286.375 2.669 20 30 CFEDMN C[C@@H]1CC[C@H](C)N1CC(=O)OCc1ccc(C#N)c(F)c1 ZINC000785740636 628909831 /nfs/dbraw/zinc/90/98/31/628909831.db2.gz IVNGFEQLHVVLGC-TXEJJXNPSA-N 0 1 290.338 2.613 20 30 CFEDMN C[C@H]1CC[C@H](C)N1CC(=O)OCc1ccc(C#N)c(F)c1 ZINC000785740635 628909948 /nfs/dbraw/zinc/90/99/48/628909948.db2.gz IVNGFEQLHVVLGC-RYUDHWBXSA-N 0 1 290.338 2.613 20 30 CFEDMN O=c1nc(NN=CCC[C@H]2CCOC2)[nH]c2ccccc12 ZINC000786035604 628931791 /nfs/dbraw/zinc/93/17/91/628931791.db2.gz FFTXJUCCRDINDR-NSHDSACASA-N 0 1 286.335 2.550 20 30 CFEDMN O=c1[nH]c(N=NCCC[C@H]2CCOC2)nc2ccccc21 ZINC000786035604 628931793 /nfs/dbraw/zinc/93/17/93/628931793.db2.gz FFTXJUCCRDINDR-NSHDSACASA-N 0 1 286.335 2.550 20 30 CFEDMN C=CCCN(C)CN1C[C@H](c2ccc(C)cc2)CC1=O ZINC000786100689 628937078 /nfs/dbraw/zinc/93/70/78/628937078.db2.gz DGMRMFTUDYHBID-MRXNPFEDSA-N 0 1 272.392 2.776 20 30 CFEDMN C=CCCN(C)CC(=O)NC1CCCCCCC1 ZINC000786442462 628956853 /nfs/dbraw/zinc/95/68/53/628956853.db2.gz GRNJHQBHMKMUBW-UHFFFAOYSA-N 0 1 252.402 2.723 20 30 CFEDMN C=CCC[N@H+](C)[C@@H]1CCCN(c2ccc(C)cc2)C1=O ZINC000786445124 628957217 /nfs/dbraw/zinc/95/72/17/628957217.db2.gz MMZKHXKLDMWMDH-MRXNPFEDSA-N 0 1 272.392 2.998 20 30 CFEDMN C#C[C@H](N[C@H](C)[C@@H](OC)c1ccccc1)[C@H]1CCCO1 ZINC000786915990 628984329 /nfs/dbraw/zinc/98/43/29/628984329.db2.gz GJCPLSDZDSOHEU-XLNGHYISSA-N 0 1 273.376 2.533 20 30 CFEDMN C#Cc1ccc(CN2CCOC3(CCCC3)C2)cc1 ZINC000787770213 629034046 /nfs/dbraw/zinc/03/40/46/629034046.db2.gz CVOOOEOFRAXOCU-UHFFFAOYSA-N 0 1 255.361 2.813 20 30 CFEDMN C#CCC1(C(=O)N2CCN(CC3CC3)CC2)CCCCC1 ZINC000788173044 629048536 /nfs/dbraw/zinc/04/85/36/629048536.db2.gz GZSIYJQCTJEBHB-UHFFFAOYSA-N 0 1 288.435 2.514 20 30 CFEDMN OC[C@H](NN=C1CCCNc2ccccc21)c1ccccc1 ZINC000788459294 629070635 /nfs/dbraw/zinc/07/06/35/629070635.db2.gz FQNXHDQLMMYAPO-SFHVURJKSA-N 0 1 295.386 2.920 20 30 CFEDMN C=C(Br)CN([C@@H](C)CO)C1CCCC1 ZINC000788466021 629071018 /nfs/dbraw/zinc/07/10/18/629071018.db2.gz CWYCXNNVXIPXOQ-JTQLQIEISA-N 0 1 262.191 2.520 20 30 CFEDMN C#CCC1(C(=O)Nc2nc(C3CCC3)n[nH]2)CCCCC1 ZINC000788531115 629079172 /nfs/dbraw/zinc/07/91/72/629079172.db2.gz UEPLPKKEKHULNJ-UHFFFAOYSA-N 0 1 286.379 2.985 20 30 CFEDMN C#CCC1(C(=O)Nc2n[nH]c(C3CCC3)n2)CCCCC1 ZINC000788531115 629079176 /nfs/dbraw/zinc/07/91/76/629079176.db2.gz UEPLPKKEKHULNJ-UHFFFAOYSA-N 0 1 286.379 2.985 20 30 CFEDMN Cc1cc(NN=Cc2cc(C)nc(Cl)c2)ncn1 ZINC000788715378 629094371 /nfs/dbraw/zinc/09/43/71/629094371.db2.gz GSMGRXZRASOPMI-UHFFFAOYSA-N 0 1 261.716 2.588 20 30 CFEDMN CC(N=Nc1cc(F)c(F)c(F)c1)c1ncc[nH]1 ZINC000790168077 629215173 /nfs/dbraw/zinc/21/51/73/629215173.db2.gz ZRWBIPUMXKYZTQ-UHFFFAOYSA-N 0 1 254.215 2.663 20 30 CFEDMN CCN(C)c1ccc(C=NNCc2cccc(C)c2)cn1 ZINC000790166632 629215227 /nfs/dbraw/zinc/21/52/27/629215227.db2.gz OTRDVMFSOZSZMV-UHFFFAOYSA-N 0 1 282.391 2.970 20 30 CFEDMN Cc1ccc(F)c2c1NC(=O)C2=NNc1ncccc1C ZINC000790186518 629217229 /nfs/dbraw/zinc/21/72/29/629217229.db2.gz QBSRMAVIEKVCKC-UHFFFAOYSA-N 0 1 284.294 2.606 20 30 CFEDMN Cc1nc2ccccn2c1C=NNc1ncccc1C ZINC000790193773 629218887 /nfs/dbraw/zinc/21/88/87/629218887.db2.gz LZZPPHVHHXWFQP-UHFFFAOYSA-N 0 1 265.320 2.792 20 30 CFEDMN C=CCN(C(C)C)[C@@H]1CCCN(c2ccc(C#N)cc2)C1=O ZINC000790267289 629224216 /nfs/dbraw/zinc/22/42/16/629224216.db2.gz UFRJLBDSQQTFPB-QGZVFWFLSA-N 0 1 297.402 2.950 20 30 CFEDMN Cc1ccc(-c2n[nH]cc2C=NNc2nccn2C)cc1 ZINC000790301790 629228346 /nfs/dbraw/zinc/22/83/46/629228346.db2.gz INBRHSSKRBNRKU-UHFFFAOYSA-N 0 1 280.335 2.565 20 30 CFEDMN C#C[C@@H](CCC)N[C@H](CCCC)C(=O)Nc1cc(C)on1 ZINC000790546858 629247480 /nfs/dbraw/zinc/24/74/80/629247480.db2.gz QHTUGMFMNIEZPG-UONOGXRCSA-N 0 1 291.395 2.872 20 30 CFEDMN Cc1c(CN(C)Cc2ccc(O[C@H](C)C#N)cc2)cnn1C ZINC000790937066 629272468 /nfs/dbraw/zinc/27/24/68/629272468.db2.gz FHUBUMKPBHKPMN-CYBMUJFWSA-N 0 1 298.390 2.651 20 30 CFEDMN C#C[C@H](CCC)NC(=O)[C@@H](c1ccccc1)N(CC)CC ZINC000791741947 629350995 /nfs/dbraw/zinc/35/09/95/629350995.db2.gz OYQAQAWIYGAGEV-IAGOWNOFSA-N 0 1 286.419 2.988 20 30 CFEDMN C#C[C@H](CCC)NC(=O)[C@@H]1CCCN1Cc1ccccc1 ZINC000791744973 629351822 /nfs/dbraw/zinc/35/18/22/629351822.db2.gz JGDXJPVODMCGSC-SJORKVTESA-N 0 1 284.403 2.569 20 30 CFEDMN N#CC(C(=O)[C@@H]1CC12CCSCC2)c1ccccn1 ZINC000835061979 629363944 /nfs/dbraw/zinc/36/39/44/629363944.db2.gz WMNUYLSRUIPCHC-NEPJUHHUSA-N 0 1 272.373 2.791 20 30 CFEDMN CC[C@@H]1C[C@H]1C(=O)C(C#N)C(=O)Nc1cccc(C)c1 ZINC000835064078 629366711 /nfs/dbraw/zinc/36/67/11/629366711.db2.gz UETXIGPVVVXJAS-MRVWCRGKSA-N 0 1 270.332 2.689 20 30 CFEDMN N#CC(C(=O)C1CCOCC1)c1nccc2ccccc21 ZINC000792100139 629396956 /nfs/dbraw/zinc/39/69/56/629396956.db2.gz KJMXKLMDVQHBPW-HNNXBMFYSA-N 0 1 280.327 2.838 20 30 CFEDMN N#CC(C(=O)[C@@H]1C[C@@]12CCOC2)c1nccc2ccccc21 ZINC000792099866 629397262 /nfs/dbraw/zinc/39/72/62/629397262.db2.gz JRKQMVVGVKDZSK-RLFYNMQTSA-N 0 1 292.338 2.838 20 30 CFEDMN C#CCN(C)C[C@@H](O)COc1ccc(C(C)(C)C)cc1C ZINC000792301220 629419006 /nfs/dbraw/zinc/41/90/06/629419006.db2.gz CZISDOSNZOSHKV-MRXNPFEDSA-N 0 1 289.419 2.597 20 30 CFEDMN Cc1nc(C)c(C=NNc2cc(Cl)ccn2)o1 ZINC000793038592 629478740 /nfs/dbraw/zinc/47/87/40/629478740.db2.gz CUUWWUWQDXYFNJ-UHFFFAOYSA-N 0 1 250.689 2.786 20 30 CFEDMN CCC[C@@H](OC)C(=O)[C@H](C#N)c1nc2cccc(C)c2[nH]1 ZINC000835171772 629487747 /nfs/dbraw/zinc/48/77/47/629487747.db2.gz HHYXOZLALHQCNF-WCQYABFASA-N 0 1 285.347 2.863 20 30 CFEDMN CC(C)n1cc(C=NNc2cccc(Cl)n2)cn1 ZINC000793174692 629498876 /nfs/dbraw/zinc/49/88/76/629498876.db2.gz LAWBCMHXZCTVNQ-UHFFFAOYSA-N 0 1 263.732 2.958 20 30 CFEDMN CC(C)(CC#N)COC(=O)c1ccc(-c2nnc[nH]2)cc1 ZINC000793229893 629509862 /nfs/dbraw/zinc/50/98/62/629509862.db2.gz TVASUERBOPKUKY-UHFFFAOYSA-N 0 1 284.319 2.568 20 30 CFEDMN CN(CC1CCCC1)Cn1cc2c(c(C#N)c1=O)CCCC2 ZINC000793489140 629556060 /nfs/dbraw/zinc/55/60/60/629556060.db2.gz CFILEJBZFXCVHQ-UHFFFAOYSA-N 0 1 299.418 2.678 20 30 CFEDMN CC[C@@H]1[C@H](C)CCN1Cn1cc2c(c(C#N)c1=O)CCCC2 ZINC000793515696 629559708 /nfs/dbraw/zinc/55/97/08/629559708.db2.gz KPNUHGZPSIMDJK-CXAGYDPISA-N 0 1 299.418 2.677 20 30 CFEDMN CCN(CC)c1ccc(C=NNCCCOC)cc1F ZINC000794541835 629657946 /nfs/dbraw/zinc/65/79/46/629657946.db2.gz UQJXUWBUHKFTET-UHFFFAOYSA-N 0 1 281.375 2.632 20 30 CFEDMN CC(=NNc1ccc2ccccc2n1)c1cn[nH]c1 ZINC000794849451 629694440 /nfs/dbraw/zinc/69/44/40/629694440.db2.gz YSYFMBVJDFGXPV-UHFFFAOYSA-N 0 1 251.293 2.794 20 30 CFEDMN Fc1ccc2c(c1)OCCC2N=Nc1ccccn1 ZINC000794871259 629698023 /nfs/dbraw/zinc/69/80/23/629698023.db2.gz WPFVZLHQOPVGMG-UHFFFAOYSA-N 0 1 257.268 2.819 20 30 CFEDMN Brc1cscc1C=NNc1cnccn1 ZINC000794890423 629700214 /nfs/dbraw/zinc/70/02/14/629700214.db2.gz BJFPLKWJMZRPDA-UHFFFAOYSA-N 0 1 283.154 2.747 20 30 CFEDMN COCc1cc(CN=Nc2nccc3sccc32)no1 ZINC000794897183 629701013 /nfs/dbraw/zinc/70/10/13/629701013.db2.gz QAWYUPPMJUNNNI-UHFFFAOYSA-N 0 1 288.332 2.877 20 30 CFEDMN Cn1cc2c(n1)CC/C(=C\c1cc(F)c(O)c(F)c1)C2=O ZINC000794962679 629710602 /nfs/dbraw/zinc/71/06/02/629710602.db2.gz USNHDXCHAPJPCV-RUDMXATFSA-N 0 1 290.269 2.616 20 30 CFEDMN N#CCCCOc1cccc(C=NNc2cncnc2)c1 ZINC000794973576 629713755 /nfs/dbraw/zinc/71/37/55/629713755.db2.gz WAIUJRCBTUPDDT-UHFFFAOYSA-N 0 1 281.319 2.605 20 30 CFEDMN C#CCOc1cccc(Cl)c1CN=Nc1cncnc1 ZINC000794979203 629714999 /nfs/dbraw/zinc/71/49/99/629714999.db2.gz RRWIKIJWKOLZSP-UHFFFAOYSA-N 0 1 286.722 2.588 20 30 CFEDMN Cc1ccc(C=NNc2cncnc2)c(-c2cnn(C)c2)c1 ZINC000794978459 629715033 /nfs/dbraw/zinc/71/50/33/629715033.db2.gz GZSCQLHQSXDSBE-UHFFFAOYSA-N 0 1 292.346 2.632 20 30 CFEDMN Clc1cccc2c1CCC2=NNc1cncnc1 ZINC000794977900 629715232 /nfs/dbraw/zinc/71/52/32/629715232.db2.gz CGKQHDZCEICCPT-UHFFFAOYSA-N 0 1 258.712 2.892 20 30 CFEDMN COc1ccc(OC(F)F)c(CN=Nc2cncnc2)c1 ZINC000794979901 629715924 /nfs/dbraw/zinc/71/59/24/629715924.db2.gz YGORCQZZYYRKQB-UHFFFAOYSA-N 0 1 294.261 2.533 20 30 CFEDMN FC(F)(F)COc1ccccc1C=NNc1cncnc1 ZINC000794979643 629716105 /nfs/dbraw/zinc/71/61/05/629716105.db2.gz LWLPTKYUIFXZMK-UHFFFAOYSA-N 0 1 296.252 2.864 20 30 CFEDMN C=CCNN=Cc1ccc(N2CCCCC2)c([N+](=O)[O-])c1 ZINC000795000027 629721134 /nfs/dbraw/zinc/72/11/34/629721134.db2.gz XJZMAZZGQZUKHF-UHFFFAOYSA-N 0 1 288.351 2.695 20 30 CFEDMN COc1ccsc1C=NNc1cccc(F)n1 ZINC000795009286 629723460 /nfs/dbraw/zinc/72/34/60/629723460.db2.gz ZIUQGEBUPFFKHT-UHFFFAOYSA-N 0 1 251.286 2.737 20 30 CFEDMN CC(=O)Nc1ccsc1CN=Nc1cccc(F)n1 ZINC000795007745 629723483 /nfs/dbraw/zinc/72/34/83/629723483.db2.gz NPXYRQQHVXLXFK-UHFFFAOYSA-N 0 1 278.312 2.687 20 30 CFEDMN C#CCSCCOC(=O)c1cc(-c2ccc(C)o2)n[nH]1 ZINC000835439103 629725142 /nfs/dbraw/zinc/72/51/42/629725142.db2.gz OGBWSVJTDQNGRQ-UHFFFAOYSA-N 0 1 290.344 2.501 20 30 CFEDMN N#Cc1ccc(O)c(NC(=O)[C@H]2CCC(F)(F)C2)c1 ZINC000795152182 629739505 /nfs/dbraw/zinc/73/95/05/629739505.db2.gz XWESSDYYKCQQQD-VIFPVBQESA-N 0 1 266.247 2.638 20 30 CFEDMN CC(C)NC(=O)[C@@H](C#N)C(=O)C[C@@H](C)C1CCCCC1 ZINC000102120731 629815664 /nfs/dbraw/zinc/81/56/64/629815664.db2.gz RLASTAFWMRSEAQ-OCCSQVGLSA-N 0 1 278.396 2.826 20 30 CFEDMN COc1ccc([C@@H]2CCCN2CCO[C@H](C)C#N)cc1F ZINC000852521382 634770023 /nfs/dbraw/zinc/77/00/23/634770023.db2.gz OKPVMXQPUHFGIY-DOMZBBRYSA-N 0 1 292.354 2.900 20 30 CFEDMN C#CCOCCN1CCC[C@H]1c1ccc(OC)c(F)c1 ZINC000852519011 634770253 /nfs/dbraw/zinc/77/02/53/634770253.db2.gz SJLRTAWBFHOSLW-HNNXBMFYSA-N 0 1 277.339 2.621 20 30 CFEDMN C=CCN1CCCC[C@@H]1COC(=O)N1CCC(C)CC1 ZINC000796548053 629933873 /nfs/dbraw/zinc/93/38/73/629933873.db2.gz XHCBUXDKGHZCAM-OAHLLOKOSA-N 0 1 280.412 2.895 20 30 CFEDMN Cc1cc(C(C#N)C(=O)[C@@H]2CCC(F)(F)C2)nc(C)n1 ZINC000796634789 629943552 /nfs/dbraw/zinc/94/35/52/629943552.db2.gz XHQUUECNXUDZCK-MNOVXSKESA-N 0 1 279.290 2.705 20 30 CFEDMN CCC(=O)C(C#N)C(=O)Nc1cc(C)c(Cl)cc1OC ZINC000796634318 629943601 /nfs/dbraw/zinc/94/36/01/629943601.db2.gz SBSUUACPSWHGFP-VIFPVBQESA-N 0 1 294.738 2.714 20 30 CFEDMN CC1(C)CC(C(=O)C(C#N)C(=O)NC2CCCCC2)C1 ZINC000796788588 629967517 /nfs/dbraw/zinc/96/75/17/629967517.db2.gz JTUBCNXXISVCEN-ZDUSSCGKSA-N 0 1 276.380 2.580 20 30 CFEDMN CC(C)NC(=O)[C@H](C#N)C(=O)[C@@H]1CCC[C@H]2CCCC[C@H]21 ZINC000796791724 629968511 /nfs/dbraw/zinc/96/85/11/629968511.db2.gz GMXTUDZIIMYBKH-KBUPBQIOSA-N 0 1 290.407 2.826 20 30 CFEDMN CC[C@@H](C)CCC(=O)C(C#N)C(=O)Nc1ccccn1 ZINC000796816851 629971749 /nfs/dbraw/zinc/97/17/49/629971749.db2.gz LAPONSPJWZIVCM-VXGBXAGGSA-N 0 1 273.336 2.555 20 30 CFEDMN C#CCCCCCCOC(=O)[C@H]1CCCc2[nH]ncc21 ZINC000835715256 629978695 /nfs/dbraw/zinc/97/86/95/629978695.db2.gz WFUPFPZFCUHAHF-ZDUSSCGKSA-N 0 1 274.364 2.957 20 30 CFEDMN C=CCNC(=O)CN[C@H](C)c1cc(C)c(OC)c(Cl)c1 ZINC000796897928 629986672 /nfs/dbraw/zinc/98/66/72/629986672.db2.gz MRFRNRUSZBJLGP-LLVKDONJSA-N 0 1 296.798 2.610 20 30 CFEDMN N#C[C@H](C(=O)[C@H]1CC[C@H](C(F)(F)F)C1)c1ccncn1 ZINC000797316055 630055509 /nfs/dbraw/zinc/05/55/09/630055509.db2.gz YEIIQOGDRXRHQW-GUBZILKMSA-N 0 1 283.253 2.631 20 30 CFEDMN CC(C)c1c(Cl)ncnc1N=NC1CN(C)C[C@@H]1C ZINC000797404230 630061585 /nfs/dbraw/zinc/06/15/85/630061585.db2.gz IKPHUPGDOMUYGS-VIFPVBQESA-N 0 1 281.791 2.603 20 30 CFEDMN CC(C)[C@H](C(=O)OCc1ccc(Cl)cc1C#N)N(C)C ZINC000798850226 630246364 /nfs/dbraw/zinc/24/63/64/630246364.db2.gz LZSYEGCRVCUYHU-CQSZACIVSA-N 0 1 294.782 2.841 20 30 CFEDMN C#C[C@H](NC(=O)c1cccc(Br)c1O)C(C)C ZINC000799047275 630270461 /nfs/dbraw/zinc/27/04/61/630270461.db2.gz ZVTOWDITSIUMPF-NSHDSACASA-N 0 1 296.164 2.542 20 30 CFEDMN Clc1cnccc1NN=C1CCCc2cccnc21 ZINC000799110733 630275769 /nfs/dbraw/zinc/27/57/69/630275769.db2.gz CJPYIFTXHLGGMB-UHFFFAOYSA-N 0 1 272.739 2.704 20 30 CFEDMN COc1cc(C=NNc2ccccc2[N+](=O)[O-])ccc1C#N ZINC000799465117 630311223 /nfs/dbraw/zinc/31/12/23/630311223.db2.gz ZXVBIRGFTZYFRZ-UHFFFAOYSA-N 0 1 296.286 2.921 20 30 CFEDMN COc1cc(C=NN=c2[nH]c3ccccc3[nH]2)ccc1C#N ZINC000799467741 630311525 /nfs/dbraw/zinc/31/15/25/630311525.db2.gz VTRBSIDJEUGIPD-UHFFFAOYSA-N 0 1 291.314 2.889 20 30 CFEDMN FC(F)C1CCC(=NNCCN2CCCCC2)CC1 ZINC000799477334 630312149 /nfs/dbraw/zinc/31/21/49/630312149.db2.gz PGPGIAGEHDDYNB-UHFFFAOYSA-N 0 1 273.371 2.873 20 30 CFEDMN CCOC(=O)c1cc(CN=Nc2ccc(C)cn2)[nH]c1C ZINC000799479218 630313060 /nfs/dbraw/zinc/31/30/60/630313060.db2.gz WXLGYHHVAQLTIF-UHFFFAOYSA-N 0 1 286.335 2.649 20 30 CFEDMN Cc1ccc(C(=O)Nc2cc(C#N)ccc2O)cc1C#N ZINC000799713507 630338000 /nfs/dbraw/zinc/33/80/00/630338000.db2.gz WPQMVFDOVXCUPD-UHFFFAOYSA-N 0 1 277.283 2.696 20 30 CFEDMN CCCC[C@H](C)C(=O)C(C#N)C(=O)NC1CCCC1 ZINC000800387616 630376870 /nfs/dbraw/zinc/37/68/70/630376870.db2.gz USMPIBPOHLPSOX-AAEUAGOBSA-N 0 1 264.369 2.580 20 30 CFEDMN Cn1cc(-c2ccc(CN=Nc3ccccn3)s2)cn1 ZINC000800806789 630406592 /nfs/dbraw/zinc/40/65/92/630406592.db2.gz LEPRZGOIHFBJJV-UHFFFAOYSA-N 0 1 283.360 2.990 20 30 CFEDMN Cc1nc(C(C)N=Nc2cccc([N+](=O)[O-])c2C)cn1C ZINC000800811877 630407104 /nfs/dbraw/zinc/40/71/04/630407104.db2.gz MEEDVUNQBCTUFI-UHFFFAOYSA-N 0 1 287.323 2.781 20 30 CFEDMN COC(=O)c1c(F)cccc1N=NCc1ccco1 ZINC000800818348 630408105 /nfs/dbraw/zinc/40/81/05/630408105.db2.gz TWQLGERFNLZEQW-UHFFFAOYSA-N 0 1 262.240 2.651 20 30 CFEDMN C#C[C@H](NC[C@H](OC)c1ccc(Cl)cc1)[C@@H]1CCCO1 ZINC000801544160 630456093 /nfs/dbraw/zinc/45/60/93/630456093.db2.gz BOKPWXMKVMFOQA-JYJNAYRXSA-N 0 1 293.794 2.798 20 30 CFEDMN C[C@@H](C#N)OCCSc1nc(-c2ccccc2F)n[nH]1 ZINC000801655376 630464070 /nfs/dbraw/zinc/46/40/70/630464070.db2.gz XQMMJRBJJATCFQ-VIFPVBQESA-N 0 1 292.339 2.632 20 30 CFEDMN C=CCN1CCN(CN2C[C@H](c3ccccc3)C[C@H]2C)C1=O ZINC000839998431 630607583 /nfs/dbraw/zinc/60/75/83/630607583.db2.gz QPMKGCGLQQOEAZ-NVXWUHKLSA-N 0 1 299.418 2.746 20 30 CFEDMN C=CCCCC[N@@H+]1CC[C@@H](C)[C@@H]([N-]C(=O)C(F)(F)F)C1 ZINC000852756879 634826555 /nfs/dbraw/zinc/82/65/55/634826555.db2.gz XECHRLLLTWMTHZ-NEPJUHHUSA-N 0 1 292.345 2.732 20 30 CFEDMN C=C(Br)CN1C[C@]23COC[C@@]2(C1)CCCC3 ZINC000852759159 634826814 /nfs/dbraw/zinc/82/68/14/634826814.db2.gz KOOQNMAHWZJNMD-BETUJISGSA-N 0 1 286.213 2.788 20 30 CFEDMN CC(C)[C@H](C(=O)O[C@H]1CC[C@@](C)(C#N)CC1)N(C)C ZINC000836155228 630755304 /nfs/dbraw/zinc/75/53/04/630755304.db2.gz MDBVXKRLTKUSFG-NFAWXSAZSA-N 0 1 266.385 2.588 20 30 CFEDMN CC(C)n1cc(/C=C/C(=O)c2cc(F)ccc2O)nn1 ZINC000806573901 630815337 /nfs/dbraw/zinc/81/53/37/630815337.db2.gz WHCMBIFWDBQACX-GQCTYLIASA-N 0 1 275.283 2.600 20 30 CFEDMN C=CCc1cc(OC)cc(CN2CC[C@H](F)C2)c1O ZINC000840107106 630902016 /nfs/dbraw/zinc/90/20/16/630902016.db2.gz VZVWZIGZALJGDV-ZDUSSCGKSA-N 0 1 265.328 2.673 20 30 CFEDMN CS[C@@H]1CCN(Cn2ccc(-c3ccc(C#N)cc3)n2)C1 ZINC000840114157 630908972 /nfs/dbraw/zinc/90/89/72/630908972.db2.gz PGHPDPIENVSUDN-OAHLLOKOSA-N 0 1 298.415 2.817 20 30 CFEDMN CC(C)(C)[C@H]1CCC1=NNCCN1CCCCC1 ZINC000807964562 630927145 /nfs/dbraw/zinc/92/71/45/630927145.db2.gz MMOKATLQGGDQDS-ZDUSSCGKSA-N 0 1 251.418 2.874 20 30 CFEDMN CC(=C[NH+]=Nc1nnc[n-]1)Cc1ccc(Cl)cc1 ZINC000807998042 630936031 /nfs/dbraw/zinc/93/60/31/630936031.db2.gz NCJALXLQZUCRSB-DZHSLENESA-N 0 1 261.716 2.959 20 30 CFEDMN N#CCc1cccc(NC(=O)Cc2n[nH]c3c2CCCC3)c1 ZINC000837072616 630949896 /nfs/dbraw/zinc/94/98/96/630949896.db2.gz GZRIRHMBPIOKPP-UHFFFAOYSA-N 0 1 294.358 2.536 20 30 CFEDMN C=CCCCN(C)CN1CCN(c2ccccc2)C1=O ZINC000808158819 630960425 /nfs/dbraw/zinc/96/04/25/630960425.db2.gz BPTIQDVFVHDJPV-UHFFFAOYSA-N 0 1 273.380 2.784 20 30 CFEDMN CCN(CC)[C@@H](CNC(=O)C#CC(C)(C)C)c1ccco1 ZINC000837370821 631015253 /nfs/dbraw/zinc/01/52/53/631015253.db2.gz XEHGCWNNDPZIGL-AWEZNQCLSA-N 0 1 290.407 2.828 20 30 CFEDMN CC1CC(C#N)(C(=O)O[C@@H]2CCN(Cc3ccccc3)C2)C1 ZINC000837580071 631075174 /nfs/dbraw/zinc/07/51/74/631075174.db2.gz CORVGMBXIDNMSX-BFHRDPOASA-N 0 1 298.386 2.744 20 30 CFEDMN C#CCCCCCC(=O)OCc1cc(O)ccc1[N+](=O)[O-] ZINC000837620765 631088512 /nfs/dbraw/zinc/08/85/12/631088512.db2.gz FFFYTXGCVDEEDG-UHFFFAOYSA-N 0 1 291.303 2.927 20 30 CFEDMN C#C[C@@H]1COCC[N@@H+]1Cn1ccc(=S)c2ccccc21 ZINC000840168016 631105464 /nfs/dbraw/zinc/10/54/64/631105464.db2.gz IVTUIPPRLIZVQN-CYBMUJFWSA-N 0 1 284.384 2.662 20 30 CFEDMN N#CC1(COC(=O)[C@@H]2CCCN2C2CCCC2)CCC1 ZINC000837689897 631108609 /nfs/dbraw/zinc/10/86/09/631108609.db2.gz ZABYGVMAAWDBKY-AWEZNQCLSA-N 0 1 276.380 2.630 20 30 CFEDMN CCCCCCC[C@H](C)CNC(=O)N(C)Cc1nnc[nH]1 ZINC000837774540 631127347 /nfs/dbraw/zinc/12/73/47/631127347.db2.gz BEZBFMVBDOQHMM-ZDUSSCGKSA-N 0 1 295.431 2.943 20 30 CFEDMN C#CCN(CC)CCN(C(=O)OC(C)(C)C)C(C)(C)C ZINC000809552674 631233251 /nfs/dbraw/zinc/23/32/51/631233251.db2.gz QVMFLGICVYQUHL-UHFFFAOYSA-N 0 1 282.428 2.977 20 30 CFEDMN C#CCNC(=S)Nc1ccc(C)cc1SC ZINC000840857703 631243810 /nfs/dbraw/zinc/24/38/10/631243810.db2.gz RYEQHNOMDVNUFI-UHFFFAOYSA-N 0 1 250.392 2.637 20 30 CFEDMN C#Cc1ccc(CNc2cnccc2-n2cccn2)cc1 ZINC000809632963 631251390 /nfs/dbraw/zinc/25/13/90/631251390.db2.gz YQWFSVZWISKIFK-UHFFFAOYSA-N 0 1 274.327 2.861 20 30 CFEDMN C#Cc1ccc(CN[C@@H](C[S@](C)=O)c2ccccc2)cc1 ZINC000809635649 631252817 /nfs/dbraw/zinc/25/28/17/631252817.db2.gz JJASEWVNDQSQLG-RXVVDRJESA-N 0 1 297.423 2.877 20 30 CFEDMN C#Cc1ccc(CN[C@@H](C)c2ccncc2OC)cc1 ZINC000809650026 631255789 /nfs/dbraw/zinc/25/57/89/631255789.db2.gz LFBZDGAAQLOWEP-ZDUSSCGKSA-N 0 1 266.344 2.922 20 30 CFEDMN C#Cc1ccc(CN2CCO[C@H](C(C)(C)C)C2)cc1 ZINC000809657157 631257927 /nfs/dbraw/zinc/25/79/27/631257927.db2.gz WICXJHSHXDBUEY-INIZCTEOSA-N 0 1 257.377 2.915 20 30 CFEDMN C#C[C@@H](C)NCc1ccc(-c2ccccc2[N+](=O)[O-])o1 ZINC000809683009 631260058 /nfs/dbraw/zinc/26/00/58/631260058.db2.gz LYCZUWRTUMQPLD-LLVKDONJSA-N 0 1 270.288 2.966 20 30 CFEDMN CON=CC(=O)Nc1ccc2nc(-c3ccccc3)[nH]c2c1 ZINC000809798627 631292440 /nfs/dbraw/zinc/29/24/40/631292440.db2.gz PRMNVUWNUSYNGN-UHFFFAOYSA-N 0 1 294.314 2.801 20 30 CFEDMN CC(C)CO[C@@H]1C[C@@H](NCc2nc(C#N)cs2)C1(C)C ZINC000810146437 631334486 /nfs/dbraw/zinc/33/44/86/631334486.db2.gz QTKUOTSFGDNHKW-CHWSQXEVSA-N 0 1 293.436 2.944 20 30 CFEDMN C#C[C@H](NCc1ccc(SC)s1)[C@@H]1CCCO1 ZINC000810152850 631335622 /nfs/dbraw/zinc/33/56/22/631335622.db2.gz DPWJGOFTFHJMTF-RYUDHWBXSA-N 0 1 267.419 2.740 20 30 CFEDMN N#Cc1ccc2c(c1)[C@@H](NCc1cccc(F)n1)CC2 ZINC000810227562 631346455 /nfs/dbraw/zinc/34/64/55/631346455.db2.gz GPXRGJSNLKDDSU-HNNXBMFYSA-N 0 1 267.307 2.869 20 30 CFEDMN CCCCCNC(=O)C(C#N)C(=O)C1(F)CCCCC1 ZINC000810528417 631382544 /nfs/dbraw/zinc/38/25/44/631382544.db2.gz UNYYBIMNNAVPTN-LBPRGKRZSA-N 0 1 282.359 2.674 20 30 CFEDMN CC(C)(C)[C@@H](C#N)OC(=O)[C@]1(F)CCN(C(C)(C)C)C1 ZINC000810666785 631422479 /nfs/dbraw/zinc/42/24/79/631422479.db2.gz UZAUDBXMEYKWTN-ABAIWWIYSA-N 0 1 284.375 2.680 20 30 CFEDMN CC(=N[N-]c1[nH]c2ccccc2[nH+]1)c1cc2n(n1)CCC2 ZINC000841602227 631427845 /nfs/dbraw/zinc/42/78/45/631427845.db2.gz CJVQOYLLCLKREE-UHFFFAOYSA-N 0 1 280.335 2.542 20 30 CFEDMN COc1ccc(C(C)=NNCCN2CCCCC2)c(C)c1 ZINC000841618816 631433386 /nfs/dbraw/zinc/43/33/86/631433386.db2.gz HQFLDHSCBFZRQS-UHFFFAOYSA-N 0 1 289.423 2.803 20 30 CFEDMN C#CCC1(OC(=O)[C@H](CC)N(CC)CC)CCC1 ZINC000810748559 631439390 /nfs/dbraw/zinc/43/93/90/631439390.db2.gz GNIFNDPPTDYBBO-ZDUSSCGKSA-N 0 1 251.370 2.596 20 30 CFEDMN CC(C)CC(=NNC1=NCCN1)c1ccc(Cl)cc1 ZINC000841660137 631446537 /nfs/dbraw/zinc/44/65/37/631446537.db2.gz VNPGRUQGSJBFEN-UHFFFAOYSA-N 0 1 278.787 2.639 20 30 CFEDMN CN(Cn1cccc(C#N)c1=O)[C@@H]1CCC[C@H]1C(C)(C)C ZINC000841688754 631451965 /nfs/dbraw/zinc/45/19/65/631451965.db2.gz GRSJDBCONUYXNN-HUUCEWRRSA-N 0 1 287.407 2.824 20 30 CFEDMN CC[C@@H](Cn1[nH]c(C(C)(C)C)c(CCC#N)c1=O)OC ZINC000842034865 631508267 /nfs/dbraw/zinc/50/82/67/631508267.db2.gz YUAIAPJVNYUKSQ-NSHDSACASA-N 0 1 279.384 2.767 20 30 CFEDMN C[C@@]1(CNC[C@H](C#N)CCC#N)CC1(Cl)Cl ZINC000842154348 631555100 /nfs/dbraw/zinc/55/51/00/631555100.db2.gz SMPFIIQPFPQURW-UWVGGRQHSA-N 0 1 260.168 2.603 20 30 CFEDMN C#C[C@H](C)N(C)Cc1cc(O)cc(C(F)(F)F)c1 ZINC000811496211 631571239 /nfs/dbraw/zinc/57/12/39/631571239.db2.gz SLJFUHXHDFMHEU-VIFPVBQESA-N 0 1 257.255 2.865 20 30 CFEDMN C[C@@H]1C(N=Nc2ncc(F)cn2)CCN1Cc1ccccc1 ZINC000811646090 631591582 /nfs/dbraw/zinc/59/15/82/631591582.db2.gz KIJIWAUSWKESBR-GFCCVEGCSA-N 0 1 299.353 2.678 20 30 CFEDMN CO[C@@H](CC(C)C)C(=O)C(C#N)c1cnc2ccccc2n1 ZINC000842347220 631600571 /nfs/dbraw/zinc/60/05/71/631600571.db2.gz WUWLCYJINNJOTG-WBMJQRKESA-N 0 1 297.358 2.867 20 30 CFEDMN C#CCON=C/C=C1\N(C)c2ccccc2C1(C)C ZINC000812234848 631673433 /nfs/dbraw/zinc/67/34/33/631673433.db2.gz YXJSHBZZFWKRKK-AKULITJFSA-N 0 1 254.333 2.934 20 30 CFEDMN CC(C)C[C@@H](N)c1noc(-c2ccccc2OCC#N)n1 ZINC000842587044 631674753 /nfs/dbraw/zinc/67/47/53/631674753.db2.gz UNDSAQORPLUSDH-GFCCVEGCSA-N 0 1 286.335 2.685 20 30 CFEDMN C#CC[C@H]1CCCN(CN2CCC(CC)(CC)C2=O)C1 ZINC000842629870 631685607 /nfs/dbraw/zinc/68/56/07/631685607.db2.gz SLYBNBBSAGOLCH-HNNXBMFYSA-N 0 1 276.424 2.718 20 30 CFEDMN C#CC[C@@H]1CCCN(CN2C[C@@H](CC(C)(C)C)CC2=O)C1 ZINC000842628813 631685873 /nfs/dbraw/zinc/68/58/73/631685873.db2.gz GWFPOQONLGYMBS-HZPDHXFCSA-N 0 1 290.451 2.964 20 30 CFEDMN C#CCCOc1ccc(-c2nc([C@@H]3CCCN3)no2)cc1 ZINC000842636940 631688800 /nfs/dbraw/zinc/68/88/00/631688800.db2.gz PANLPKQXIAPBBJ-AWEZNQCLSA-N 0 1 283.331 2.563 20 30 CFEDMN Cc1cc(C(C#N)C(=O)C2CC3(CCC3)C2)nc(C)n1 ZINC000842682718 631705845 /nfs/dbraw/zinc/70/58/45/631705845.db2.gz KIKZDFWXTHSMQZ-ZDUSSCGKSA-N 0 1 269.348 2.850 20 30 CFEDMN C=CCCCCCCCNC(=O)N[C@@H](C)c1nnc[nH]1 ZINC000812493888 631727139 /nfs/dbraw/zinc/72/71/39/631727139.db2.gz ZGEKWWQBCWMPSP-LBPRGKRZSA-N 0 1 279.388 2.692 20 30 CFEDMN C#CCCCC(=O)Nc1cc(C(=O)CC)ccc1O ZINC000812706144 631761617 /nfs/dbraw/zinc/76/16/17/631761617.db2.gz JRUYGNSBTHRHFR-UHFFFAOYSA-N 0 1 259.305 2.727 20 30 CFEDMN CC(C)OCC(=O)C(C#N)c1nc(C2CC2)cs1 ZINC000842943605 631787988 /nfs/dbraw/zinc/78/79/88/631787988.db2.gz XZVIFXVLSNCXFS-SNVBAGLBSA-N 0 1 264.350 2.622 20 30 CFEDMN C=CCCOCC(=O)C(C#N)c1nc(C2CC2)cs1 ZINC000842941298 631788425 /nfs/dbraw/zinc/78/84/25/631788425.db2.gz HZNBWLKPKXWAIO-NSHDSACASA-N 0 1 276.361 2.789 20 30 CFEDMN N#CC(C(=O)C=Cc1ccncn1)c1nc(C2CC2)cs1 ZINC000842946560 631790661 /nfs/dbraw/zinc/79/06/61/631790661.db2.gz WCODPIOAJRKGBJ-VSQXVHSFSA-N 0 1 296.355 2.700 20 30 CFEDMN CCC[C@@H]1C[C@H]1C(=O)C(C#N)C(=O)Nc1ccccc1 ZINC000813060169 631822627 /nfs/dbraw/zinc/82/26/27/631822627.db2.gz RTWOWKHIOYKRRY-MRVWCRGKSA-N 0 1 270.332 2.770 20 30 CFEDMN N#CCCNCC[C@H](O)c1ccc(Cl)c(Cl)c1 ZINC000843092578 631832582 /nfs/dbraw/zinc/83/25/82/631832582.db2.gz BTAIHFAGQPVVON-LBPRGKRZSA-N 0 1 273.163 2.920 20 30 CFEDMN Cc1cc(CC(=O)OCCC2(C#N)CCCCC2)n[nH]1 ZINC000840284411 631883787 /nfs/dbraw/zinc/88/37/87/631883787.db2.gz MBGZBGKEZGJJJL-UHFFFAOYSA-N 0 1 275.352 2.668 20 30 CFEDMN C[C@H](C[C@H](O)c1ccco1)NCc1cccc(F)c1C#N ZINC000813337807 631907101 /nfs/dbraw/zinc/90/71/01/631907101.db2.gz VBBVBVDDUKBIEP-ABAIWWIYSA-N 0 1 288.322 2.892 20 30 CFEDMN C#CC[C@@H]1CCCN(Cc2c(Cl)n(C)nc2CC)C1 ZINC000843423699 631952099 /nfs/dbraw/zinc/95/20/99/631952099.db2.gz IMPHXNDDKQODGY-GFCCVEGCSA-N 0 1 279.815 2.871 20 30 CFEDMN C#CCOc1ccc(CN2CCOC[C@H]2C2CCC2)cc1 ZINC000843427970 631955579 /nfs/dbraw/zinc/95/55/79/631955579.db2.gz DULHRYJTDFGRCN-SFHVURJKSA-N 0 1 285.387 2.700 20 30 CFEDMN C#CCOc1ccc(CN2CCOC[C@@H]2C2CCC2)cc1 ZINC000843427967 631955804 /nfs/dbraw/zinc/95/58/04/631955804.db2.gz DULHRYJTDFGRCN-GOSISDBHSA-N 0 1 285.387 2.700 20 30 CFEDMN C#CCN1CCC(C(=O)N2CCCC[C@H]2C2CCC2)CC1 ZINC000843742505 632045028 /nfs/dbraw/zinc/04/50/28/632045028.db2.gz FVIFKEIDQPMWKM-KRWDZBQOSA-N 0 1 288.435 2.513 20 30 CFEDMN C=CCCCC(=O)OCc1nnc(C(C)(C)C)[nH]1 ZINC000814458473 632068451 /nfs/dbraw/zinc/06/84/51/632068451.db2.gz QLZWPDMPXLQGOP-UHFFFAOYSA-N 0 1 251.330 2.502 20 30 CFEDMN C=CCCCC(=O)OCc1n[nH]c(C(C)(C)C)n1 ZINC000814458473 632068454 /nfs/dbraw/zinc/06/84/54/632068454.db2.gz QLZWPDMPXLQGOP-UHFFFAOYSA-N 0 1 251.330 2.502 20 30 CFEDMN C=C[C@@](C)(CC)C(=O)OCc1nnc(C(C)(C)C)[nH]1 ZINC000814465809 632071063 /nfs/dbraw/zinc/07/10/63/632071063.db2.gz CMVGYCQMRJMQKB-AWEZNQCLSA-N 0 1 265.357 2.748 20 30 CFEDMN C=C[C@@](C)(CC)C(=O)OCc1n[nH]c(C(C)(C)C)n1 ZINC000814465809 632071065 /nfs/dbraw/zinc/07/10/65/632071065.db2.gz CMVGYCQMRJMQKB-AWEZNQCLSA-N 0 1 265.357 2.748 20 30 CFEDMN C#CC1CCN(C(=O)c2cn[nH]c2-c2ccccc2F)CC1 ZINC000844045830 632102483 /nfs/dbraw/zinc/10/24/83/632102483.db2.gz QNVIMHOGZMNLPU-UHFFFAOYSA-N 0 1 297.333 2.701 20 30 CFEDMN CC(=NN=c1[nH]c2ccccc2[nH]1)c1cccc(CO)c1 ZINC000814709318 632111432 /nfs/dbraw/zinc/11/14/32/632111432.db2.gz YTYIVOZKHKJONT-UHFFFAOYSA-N 0 1 280.331 2.891 20 30 CFEDMN Cc1sc2ncnc(NN=Cc3cocn3)c2c1C ZINC000814726363 632114229 /nfs/dbraw/zinc/11/42/29/632114229.db2.gz SBDXTNYCXHJWJA-UHFFFAOYSA-N 0 1 273.321 2.742 20 30 CFEDMN CC(=NN=c1nc[nH]c2sc3c(c21)CCC3)c1cc[nH]n1 ZINC000814725814 632114243 /nfs/dbraw/zinc/11/42/43/632114243.db2.gz CTFYNCVPPNSSKM-UHFFFAOYSA-N 0 1 298.375 2.739 20 30 CFEDMN CC(N=Nc1nccc2sccc21)c1csnn1 ZINC000814809208 632129840 /nfs/dbraw/zinc/12/98/40/632129840.db2.gz RLGNRJZHUPGRFQ-UHFFFAOYSA-N 0 1 275.362 2.984 20 30 CFEDMN C(=NNCCN1CCCCC1)c1cccc2cc[nH]c21 ZINC000814809036 632129970 /nfs/dbraw/zinc/12/99/70/632129970.db2.gz XPOIFHQYRBSVTJ-UHFFFAOYSA-N 0 1 270.380 2.577 20 30 CFEDMN Cc1cc(Cl)cc(C=NNc2ncnc3nc[nH]c32)c1 ZINC000814812320 632131025 /nfs/dbraw/zinc/13/10/25/632131025.db2.gz QIXWQEOKXADUFG-UHFFFAOYSA-N 0 1 286.726 2.761 20 30 CFEDMN COc1ccc(NN=Cc2nccs2)c([N+](=O)[O-])c1 ZINC000814882787 632147360 /nfs/dbraw/zinc/14/73/60/632147360.db2.gz OGXZEUUUSDJKQX-UHFFFAOYSA-N 0 1 278.293 2.506 20 30 CFEDMN CCOCCON=C1CC[C@@H]2CNc3cccc1c32 ZINC000814907563 632158956 /nfs/dbraw/zinc/15/89/56/632158956.db2.gz OREFCUJKATZMKK-LLVKDONJSA-N 0 1 260.337 2.747 20 30 CFEDMN CCc1cnc(CN=Nc2ccc(OC)cn2)s1 ZINC000814908494 632160137 /nfs/dbraw/zinc/16/01/37/632160137.db2.gz QIIQLOAGIMMXNU-UHFFFAOYSA-N 0 1 262.338 2.555 20 30 CFEDMN COc1ccc(N=NC2COc3cc(C)c(C)cc32)nc1 ZINC000814908658 632160195 /nfs/dbraw/zinc/16/01/95/632160195.db2.gz AKTSIMOGTOKTSD-UHFFFAOYSA-N 0 1 283.331 2.916 20 30 CFEDMN CCC(=[NH+][N-]c1ccc(OC)cn1)c1cccc(N)c1 ZINC000814908783 632160205 /nfs/dbraw/zinc/16/02/05/632160205.db2.gz CFNVGTIDTSSVAI-UHFFFAOYSA-N 0 1 270.336 2.899 20 30 CFEDMN Cc1ccc[nH]c1=NN=Cc1nc2c(s1)CCC2 ZINC000814911945 632161561 /nfs/dbraw/zinc/16/15/61/632161561.db2.gz XIRMPTFJORUCDE-UHFFFAOYSA-N 0 1 258.350 2.781 20 30 CFEDMN Cc1cccnc1NN=Cc1nc2c(s1)CCC2 ZINC000814911945 632161562 /nfs/dbraw/zinc/16/15/62/632161562.db2.gz XIRMPTFJORUCDE-UHFFFAOYSA-N 0 1 258.350 2.781 20 30 CFEDMN c1cc2c3c(c1)C(N=Nc1cncnc1)CC[C@H]3CN2 ZINC000814927051 632168476 /nfs/dbraw/zinc/16/84/76/632168476.db2.gz VGFSNOGSDTWLPA-JTQLQIEISA-N 0 1 265.320 2.596 20 30 CFEDMN Cn1ncc(C=NNc2nccnc2C2CCC2)c1Cl ZINC000814932291 632170233 /nfs/dbraw/zinc/17/02/33/632170233.db2.gz VNKGEECSEAOLGY-UHFFFAOYSA-N 0 1 290.758 2.577 20 30 CFEDMN C[C@@H]1CC(N=Nc2ccc(F)c(F)c2F)CN1C ZINC000814945536 632177345 /nfs/dbraw/zinc/17/73/45/632177345.db2.gz DSMWFQFMLGMXSM-SSDOTTSWSA-N 0 1 257.259 2.596 20 30 CFEDMN c1ccc(-c2nnc(N=NC3CCN4CCC[C@@H]34)s2)cc1 ZINC000814947791 632177913 /nfs/dbraw/zinc/17/79/13/632177913.db2.gz KBHNVPKCCIZRFP-ZDUSSCGKSA-N 0 1 299.403 2.841 20 30 CFEDMN CN(C[C@H](O)c1cccc(C#N)c1)C[C@@H]1CC1(Cl)Cl ZINC000844366479 632182024 /nfs/dbraw/zinc/18/20/24/632182024.db2.gz PKOHRHWMJAKPPG-STQMWFEESA-N 0 1 299.201 2.717 20 30 CFEDMN CC(=NNc1cnnn1C)c1ccc(C(C)(C)C)cc1 ZINC000814979531 632182939 /nfs/dbraw/zinc/18/29/39/632182939.db2.gz LISJEOGCSZBGKX-UHFFFAOYSA-N 0 1 271.368 2.949 20 30 CFEDMN Cn1nncc1NN=C1c2ccccc2-c2ccccc21 ZINC000814981069 632184194 /nfs/dbraw/zinc/18/41/94/632184194.db2.gz WFPPJTSBMDOLIH-UHFFFAOYSA-N 0 1 275.315 2.660 20 30 CFEDMN CC(=NNc1cnnn1C)c1ccc2cc(O)ccc2c1 ZINC000814982084 632184395 /nfs/dbraw/zinc/18/43/95/632184395.db2.gz VYUZYRWDWYCSEJ-UHFFFAOYSA-N 0 1 281.319 2.510 20 30 CFEDMN C#CCCCN1CC(C)(C)O[C@](C)(C(F)(F)F)C1 ZINC000815145670 632216402 /nfs/dbraw/zinc/21/64/02/632216402.db2.gz BPIRVQWKHORJHW-LBPRGKRZSA-N 0 1 263.303 2.832 20 30 CFEDMN C=CCC(F)(F)C(=O)Nc1nc(-c2cccs2)n[nH]1 ZINC000815338505 632254340 /nfs/dbraw/zinc/25/43/40/632254340.db2.gz CMHPYWNTWCLMGL-UHFFFAOYSA-N 0 1 284.291 2.683 20 30 CFEDMN C=C[C@H](C)ON=C1CCN(CCC(F)(F)F)CC1 ZINC000844622022 632265763 /nfs/dbraw/zinc/26/57/63/632265763.db2.gz SCTKQCLSCGTQMD-JTQLQIEISA-N 0 1 264.291 2.982 20 30 CFEDMN C=C[C@@H](C)ON=C(C)c1cc(OC)c(O)c([N+](=O)[O-])c1 ZINC000844622422 632266280 /nfs/dbraw/zinc/26/62/80/632266280.db2.gz ZGOFWTDGUNVDLF-MRVPVSSYSA-N 0 1 280.280 2.624 20 30 CFEDMN C#CCCCOC(=O)[C@@H]1CCCCN1C1CCCC1 ZINC000815444919 632274325 /nfs/dbraw/zinc/27/43/25/632274325.db2.gz NGSSRZZZMAEUPY-HNNXBMFYSA-N 0 1 263.381 2.740 20 30 CFEDMN C=CCCOC(=O)[C@H]1CCCCN1C1CCCC1 ZINC000815443893 632274528 /nfs/dbraw/zinc/27/45/28/632274528.db2.gz MKNYXESBSMYADN-CQSZACIVSA-N 0 1 251.370 2.903 20 30 CFEDMN N#CCN1CCC([NH2+]Cc2ccc3ccccc3c2[O-])CC1 ZINC000816547666 632482169 /nfs/dbraw/zinc/48/21/69/632482169.db2.gz DSXJRXBDFHCCHB-UHFFFAOYSA-N 0 1 295.386 2.623 20 30 CFEDMN CC(C)(C)c1nc(CNc2nc(Cl)c(C#N)s2)n[nH]1 ZINC000840335388 632561937 /nfs/dbraw/zinc/56/19/37/632561937.db2.gz JZFXERVDCQRCKI-UHFFFAOYSA-N 0 1 296.787 2.696 20 30 CFEDMN N#CC(C(=O)C[C@@H]1CCCO1)=C(O)C1(c2ccccc2)CC1 ZINC000845840088 632578383 /nfs/dbraw/zinc/57/83/83/632578383.db2.gz ZMANEZCCZBWLAG-GJZGRUSLSA-N 0 1 297.354 2.565 20 30 CFEDMN N#CC(C(=O)C[C@H]1CCCO1)=C(O)C1(c2ccccc2)CC1 ZINC000845840089 632578684 /nfs/dbraw/zinc/57/86/84/632578684.db2.gz ZMANEZCCZBWLAG-HUUCEWRRSA-N 0 1 297.354 2.565 20 30 CFEDMN CC(=O)CCCC(=O)C(C#N)=C(O)C1(c2ccccc2)CC1 ZINC000845847026 632579228 /nfs/dbraw/zinc/57/92/28/632579228.db2.gz XNXZFAWCWPJTFV-OAHLLOKOSA-N 0 1 297.354 2.755 20 30 CFEDMN CO[C@@H](C)CCC(=O)C(C#N)=C(O)C1(c2ccccc2)CC1 ZINC000845847099 632579291 /nfs/dbraw/zinc/57/92/91/632579291.db2.gz YKUJQAXZLHJTLA-ZFWWWQNUSA-N 0 1 299.370 2.811 20 30 CFEDMN Nc1ccc2c(c1)C(=NOC1CCOCC1)CCCC2 ZINC000817327096 632603487 /nfs/dbraw/zinc/60/34/87/632603487.db2.gz ACIMOBQPRDTXEZ-UHFFFAOYSA-N 0 1 274.364 2.895 20 30 CFEDMN CN(Cc1ccc(Cl)o1)C[C@@H](O)c1cccc(C#N)c1 ZINC000846005749 632612226 /nfs/dbraw/zinc/61/22/26/632612226.db2.gz GRWOILDUVYJGJH-CQSZACIVSA-N 0 1 290.750 2.970 20 30 CFEDMN CCc1ccc(CN(C)C[C@H](O)c2cccc(C#N)c2)o1 ZINC000846007874 632612389 /nfs/dbraw/zinc/61/23/89/632612389.db2.gz RATLYBREYCLFOB-KRWDZBQOSA-N 0 1 284.359 2.879 20 30 CFEDMN CN(Cc1ccc(C#N)s1)C[C@H](O)c1cccc(C#N)c1 ZINC000846006919 632612443 /nfs/dbraw/zinc/61/24/43/632612443.db2.gz LJCWGCFTUGWBDW-INIZCTEOSA-N 0 1 297.383 2.657 20 30 CFEDMN COc1cccc(CNCC2(C#N)CCCC2)c1O ZINC000846010785 632613179 /nfs/dbraw/zinc/61/31/79/632613179.db2.gz IORBOOZQYQWXSU-UHFFFAOYSA-N 0 1 260.337 2.574 20 30 CFEDMN C#CCOc1cccc(Cl)c1CN[C@@H]1C[C@H]2CC[C@@H]1O2 ZINC000846073685 632630244 /nfs/dbraw/zinc/63/02/44/632630244.db2.gz PLRPFGZHVCBTPW-XFJVYGCCSA-N 0 1 291.778 2.762 20 30 CFEDMN N#CC(C(=O)Nc1ccccc1)C(=O)[C@@H]1CC[C@@H]2C[C@@H]2C1 ZINC000817714867 632690128 /nfs/dbraw/zinc/69/01/28/632690128.db2.gz YJPKPTDSUTVNPO-BHPKHCPMSA-N 0 1 282.343 2.770 20 30 CFEDMN Cn1c2ccccc2nc1[C@H](C#N)C(=O)[C@]1(C)CC1(F)F ZINC000817714618 632690191 /nfs/dbraw/zinc/69/01/91/632690191.db2.gz VIIJMCFETNLPLO-OTYXRUKQSA-N 0 1 289.285 2.795 20 30 CFEDMN CCCCCCNC(=O)C(C#N)C(=O)[C@@H]1CC[C@@H]2C[C@@H]2C1 ZINC000817714832 632690329 /nfs/dbraw/zinc/69/03/29/632690329.db2.gz XNGHZYDEAHDCDT-KBUPBQIOSA-N 0 1 290.407 2.828 20 30 CFEDMN Cn1c2ccccc2nc1[C@@H](C#N)C(=O)[C@]1(C)CC1(F)F ZINC000817714619 632690488 /nfs/dbraw/zinc/69/04/88/632690488.db2.gz VIIJMCFETNLPLO-XPTSAGLGSA-N 0 1 289.285 2.795 20 30 CFEDMN CC[C@H](NC(=O)C(C#N)C(=O)[C@@H]1CC12CC2)c1ccccc1 ZINC000817729307 632696028 /nfs/dbraw/zinc/69/60/28/632696028.db2.gz CFHXLYXPGGZKCN-ILXRZTDVSA-N 0 1 296.370 2.763 20 30 CFEDMN C=C(C)CONC(=O)C(C)(C)c1ccc(OC)c(OC)c1 ZINC000846536779 632726668 /nfs/dbraw/zinc/72/66/68/632726668.db2.gz ZZEKYXSHZPWBDT-UHFFFAOYSA-N 0 1 293.363 2.605 20 30 CFEDMN C=C(C)CONC(=O)Cc1csc(-c2ccc(C)o2)n1 ZINC000846539222 632728565 /nfs/dbraw/zinc/72/85/65/632728565.db2.gz YSXXQZXITADGKM-UHFFFAOYSA-N 0 1 292.360 2.878 20 30 CFEDMN C=C(C)CNC(=S)NNc1ncc(Cl)cc1Cl ZINC000818269288 632821057 /nfs/dbraw/zinc/82/10/57/632821057.db2.gz NEPDTUZFPYFIOE-UHFFFAOYSA-N 0 1 291.207 2.756 20 30 CFEDMN CCOC(CN(CC)Cc1ccc(C#N)c(F)c1)OCC ZINC000846973750 632865273 /nfs/dbraw/zinc/86/52/73/632865273.db2.gz DJXHYYOJBWHEPJ-UHFFFAOYSA-N 0 1 294.370 2.918 20 30 CFEDMN C#C[C@H]1CCCN(Cc2ccc([N+](=O)[O-])c(OCC)c2)C1 ZINC000847020033 632884295 /nfs/dbraw/zinc/88/42/95/632884295.db2.gz VMPHLQXNZAZRFT-ZDUSSCGKSA-N 0 1 288.347 2.839 20 30 CFEDMN C#C[C@@H]1CCC[N@H+]([C@@H](C)c2cc(C)c(C(=O)OC)o2)C1 ZINC000847020643 632885817 /nfs/dbraw/zinc/88/58/17/632885817.db2.gz CVRJWIPSSKICFG-QWHCGFSZSA-N 0 1 275.348 2.781 20 30 CFEDMN C#C[C@@H]1CCCN([C@@H](C)c2cc(C)c(C(=O)OC)o2)C1 ZINC000847020643 632885821 /nfs/dbraw/zinc/88/58/21/632885821.db2.gz CVRJWIPSSKICFG-QWHCGFSZSA-N 0 1 275.348 2.781 20 30 CFEDMN C#C[C@H]1CCCN(CC(=O)N[C@@H](C)c2ccc(CC)cc2)C1 ZINC000847030756 632893917 /nfs/dbraw/zinc/89/39/17/632893917.db2.gz RVEVRAYZASCTAY-RDJZCZTQSA-N 0 1 298.430 2.771 20 30 CFEDMN C#C[C@H]1CCCN([C@@H](C)C(=O)Nc2cccc(C)c2C)C1 ZINC000847028616 632894250 /nfs/dbraw/zinc/89/42/50/632894250.db2.gz JNRHAGVLUOIDIW-HOTGVXAUSA-N 0 1 284.403 2.976 20 30 CFEDMN C#C[C@@H]1CCCN([C@@H](C)C(=O)N2CCCC[C@@H]2CC)C1 ZINC000847032499 632895985 /nfs/dbraw/zinc/89/59/85/632895985.db2.gz LIXWMOTVBWLWQT-XHSDSOJGSA-N 0 1 276.424 2.511 20 30 CFEDMN N#CCCNCCc1ccc(N2CCCCC2)cc1 ZINC000818956384 632915956 /nfs/dbraw/zinc/91/59/56/632915956.db2.gz KOTVRVKYZTWXCW-UHFFFAOYSA-N 0 1 257.381 2.723 20 30 CFEDMN Cc1ccc(N2CCC[C@H](NC[C@H](C#N)CCC#N)C2)cc1 ZINC000819114797 632970171 /nfs/dbraw/zinc/97/01/71/632970171.db2.gz YEPSYZUJZRDVRK-IRXDYDNUSA-N 0 1 296.418 2.997 20 30 CFEDMN C[C@H](COC(=O)c1ccc(C#N)s1)N1CCCCC1 ZINC000847961333 633168425 /nfs/dbraw/zinc/16/84/25/633168425.db2.gz URNRSGKYTIWIHS-LLVKDONJSA-N 0 1 278.377 2.651 20 30 CFEDMN N#Cc1csc(C(=O)OCc2cc(C3CC3)[nH]n2)c1 ZINC000848012556 633186963 /nfs/dbraw/zinc/18/69/63/633186963.db2.gz CKNLTSKBGSVQAV-UHFFFAOYSA-N 0 1 273.317 2.577 20 30 CFEDMN C#C[C@@H]1CCCN(C(=O)c2cnc(-c3ccccc3)[nH]2)C1 ZINC000848273092 633227551 /nfs/dbraw/zinc/22/75/51/633227551.db2.gz JGJHIFUVVOSGSS-CYBMUJFWSA-N 0 1 279.343 2.562 20 30 CFEDMN C#C[C@H]1CCCN(C(=O)c2cc(C3CCCCC3)[nH]n2)C1 ZINC000848283111 633231300 /nfs/dbraw/zinc/23/13/00/633231300.db2.gz OJGJHXHICXNWOR-ZDUSSCGKSA-N 0 1 285.391 2.943 20 30 CFEDMN C#C[C@H]1CCCN(C(=O)c2cc(-c3ccc(F)cc3)[nH]n2)C1 ZINC000848288147 633234301 /nfs/dbraw/zinc/23/43/01/633234301.db2.gz BNHFNRAHJZXJEP-LBPRGKRZSA-N 0 1 297.333 2.701 20 30 CFEDMN C=CCCCCCNC(=O)Cc1n[nH]c2c1CCCC2 ZINC000848293715 633235858 /nfs/dbraw/zinc/23/58/58/633235858.db2.gz YPBVAZFAZLVKOW-UHFFFAOYSA-N 0 1 275.396 2.694 20 30 CFEDMN C#C[C@@H]1CCCN(Cn2ccc(-c3ccc(F)cc3)n2)C1 ZINC000848492871 633266462 /nfs/dbraw/zinc/26/64/62/633266462.db2.gz HJJZWKOEQBRZGG-CQSZACIVSA-N 0 1 283.350 2.992 20 30 CFEDMN N#Cc1cccn(CN2CCC[C@H]2CC2CCCC2)c1=O ZINC000848507024 633267945 /nfs/dbraw/zinc/26/79/45/633267945.db2.gz SHDOQSAOILPWRM-INIZCTEOSA-N 0 1 285.391 2.722 20 30 CFEDMN C#CC[C@@H](NCc1cnc(Cl)n1C)c1ccccc1 ZINC000848544935 633284643 /nfs/dbraw/zinc/28/46/43/633284643.db2.gz PNDNYJAXIHOCHB-CQSZACIVSA-N 0 1 273.767 2.928 20 30 CFEDMN C#C[C@H](CC)NCc1cn(-c2ccccc2F)nc1C ZINC000848911911 633396919 /nfs/dbraw/zinc/39/69/19/633396919.db2.gz YJAGLGPGLPPTCD-CQSZACIVSA-N 0 1 271.339 2.821 20 30 CFEDMN C#C[C@H]1CCCN(Cc2ccc(OC)c(OC)c2OC)C1 ZINC000848923668 633406737 /nfs/dbraw/zinc/40/67/37/633406737.db2.gz OPLIIPJKTVMWEV-ZDUSSCGKSA-N 0 1 289.375 2.558 20 30 CFEDMN C#C[C@@H]1CCCN(Cc2c[nH]c(-c3ccccc3)n2)C1 ZINC000848924740 633407776 /nfs/dbraw/zinc/40/77/76/633407776.db2.gz ZELSTCYWBNBTEW-CQSZACIVSA-N 0 1 265.360 2.922 20 30 CFEDMN C#CC[C@@H]1CCC[N@H+]([C@H](C(=O)[O-])c2ccc(F)cc2)C1 ZINC000849344414 633622776 /nfs/dbraw/zinc/62/27/76/633622776.db2.gz LMQGBEPEDGTYPU-DOMZBBRYSA-N 0 1 275.323 2.687 20 30 CFEDMN C#CC[C@@H]1CCC[N@H+](Cc2ccccc2C(=O)[O-])C1 ZINC000849344311 633622829 /nfs/dbraw/zinc/62/28/29/633622829.db2.gz IRLISEYZESCAGG-CYBMUJFWSA-N 0 1 257.333 2.620 20 30 CFEDMN C#CC[C@@H]1CCC[N@H+](Cc2ccc(C(=O)[O-])cc2)C1 ZINC000849345593 633623808 /nfs/dbraw/zinc/62/38/08/633623808.db2.gz YSYIJLVWXBDOTD-CYBMUJFWSA-N 0 1 257.333 2.620 20 30 CFEDMN CO[C@@H](CNCc1ccc(C2(C#N)CC2)cc1)C(F)(F)F ZINC000850136397 633852262 /nfs/dbraw/zinc/85/22/62/633852262.db2.gz YUDWHDGWLHGPRT-ZDUSSCGKSA-N 0 1 298.308 2.909 20 30 CFEDMN C#CCOc1ccccc1CNCc1c(C2CC2)cnn1C ZINC000850136826 633852558 /nfs/dbraw/zinc/85/25/58/633852558.db2.gz FLJYTIWCQRYCLA-UHFFFAOYSA-N 0 1 295.386 2.599 20 30 CFEDMN CC[C@H](C#N)Oc1cccc(CNCc2cnc(C)n2C)c1 ZINC000850137944 633853073 /nfs/dbraw/zinc/85/30/73/633853073.db2.gz ZEFIJHOSBLFCRY-MRXNPFEDSA-N 0 1 298.390 2.699 20 30 CFEDMN C#CC[C@H](NCc1cnc2n1CCC2)c1ccccc1 ZINC000850226878 633902579 /nfs/dbraw/zinc/90/25/79/633902579.db2.gz UGEYDDDZWVADGN-INIZCTEOSA-N 0 1 265.360 2.684 20 30 CFEDMN C=CCCn1cc(CNC[C@@]2(C)CC2(Cl)Cl)nn1 ZINC000850315750 633938934 /nfs/dbraw/zinc/93/89/34/633938934.db2.gz LMXKYBSEUGVLEC-LLVKDONJSA-N 0 1 289.210 2.528 20 30 CFEDMN C#Cc1cccc(CNCc2c(C3CCC3)cnn2C)c1 ZINC000850320756 633941239 /nfs/dbraw/zinc/94/12/39/633941239.db2.gz FLWQWTYJSWFQSA-UHFFFAOYSA-N 0 1 279.387 2.959 20 30 CFEDMN C#CCOc1ccc(CN[C@H]2C[C@H](O)c3ccccc32)cc1 ZINC000850371834 633961997 /nfs/dbraw/zinc/96/19/97/633961997.db2.gz MMYOIXSRQQHXOA-OALUTQOASA-N 0 1 293.366 2.967 20 30 CFEDMN COc1cc(CN[C@@H]2C[C@H](O)c3ccccc32)ccc1C#N ZINC000850373696 633963276 /nfs/dbraw/zinc/96/32/76/633963276.db2.gz ISPCKNMWRPDKPT-SJORKVTESA-N 0 1 294.354 2.835 20 30 CFEDMN COc1ccc(CN[C@H](c2ccccc2)[C@H](C)O)cc1C#N ZINC000850420355 633984955 /nfs/dbraw/zinc/98/49/55/633984955.db2.gz NBZVCCNQIIGQSW-UGSOOPFHSA-N 0 1 296.370 2.779 20 30 CFEDMN C#C[C@H](N[C@H](C)c1cc2cnccc2o1)[C@@H]1CCCO1 ZINC000850462429 634003308 /nfs/dbraw/zinc/00/33/08/634003308.db2.gz QBKDOARLMXYTHY-ZLDLUXBVSA-N 0 1 270.332 2.659 20 30 CFEDMN C#CCOc1ccc(CN[C@H]2CCCn3nccc32)cc1 ZINC000850472694 634007881 /nfs/dbraw/zinc/00/78/81/634007881.db2.gz MKIAVJUMAUXOFM-INIZCTEOSA-N 0 1 281.359 2.520 20 30 CFEDMN CCCCCCNC(=O)C(C#N)C(=O)[C@@H]1CCC[C@@H]2C[C@@H]21 ZINC000850752064 634079418 /nfs/dbraw/zinc/07/94/18/634079418.db2.gz KAMHZRSXNAEQES-APIJFGDWSA-N 0 1 290.407 2.828 20 30 CFEDMN N#CC(C(=O)Nc1ccccn1)C(=O)[C@@H]1CCCC2(CC2)C1 ZINC000850781706 634090620 /nfs/dbraw/zinc/09/06/20/634090620.db2.gz CILVRDBCYKJJKK-CHWSQXEVSA-N 0 1 297.358 2.699 20 30 CFEDMN C#CCN1CCC[C@@H]1COC(=O)[C@@H]1CCCC2(CC2)C1 ZINC000850825650 634103875 /nfs/dbraw/zinc/10/38/75/634103875.db2.gz DCVMEYFLYCHDLT-HUUCEWRRSA-N 0 1 275.392 2.598 20 30 CFEDMN CO[C@H](C(=O)[C@@H](C#N)c1nc2cccc(C)c2[nH]1)C1CCC1 ZINC000850849439 634109764 /nfs/dbraw/zinc/10/97/64/634109764.db2.gz BJXQILHRAQTLAG-WBMJQRKESA-N 0 1 297.358 2.863 20 30 CFEDMN CO[C@H](C(=O)[C@H](C#N)c1nc2cccc(C)c2[nH]1)C1CCC1 ZINC000850849437 634109883 /nfs/dbraw/zinc/10/98/83/634109883.db2.gz BJXQILHRAQTLAG-LRDDRELGSA-N 0 1 297.358 2.863 20 30 CFEDMN N#C[C@@H](C(=O)C1CCC(C2CC2)CC1)c1ccncn1 ZINC000850947319 634148728 /nfs/dbraw/zinc/14/87/28/634148728.db2.gz FWNWQBUENWRHLR-JXQTWKCFSA-N 0 1 269.348 2.869 20 30 CFEDMN Oc1cccc(/C=N/C[C@@H]2CCN2Cc2ccccc2)c1O ZINC000852998445 634871411 /nfs/dbraw/zinc/87/14/11/634871411.db2.gz LOQNWRWFIMLUFF-ZVCOJXFSSA-N 0 1 296.370 2.791 20 30 CFEDMN C#CCOCCSc1nc2ccc(OCC)cc2[nH]1 ZINC000853012906 634874922 /nfs/dbraw/zinc/87/49/22/634874922.db2.gz MPHOHBTXVTUJRE-UHFFFAOYSA-N 0 1 276.361 2.704 20 30 CFEDMN C#CCCOc1ccc(CNCc2ccnn2CC)cc1 ZINC000853093269 634901602 /nfs/dbraw/zinc/90/16/02/634901602.db2.gz HDMUQROBSSPAKV-UHFFFAOYSA-N 0 1 283.375 2.595 20 30 CFEDMN C=CC1CCN(Cn2ncc3ccc([N+](=O)[O-])cc32)CC1 ZINC000111166481 634938104 /nfs/dbraw/zinc/93/81/04/634938104.db2.gz IHTAMFJRWHHNGM-UHFFFAOYSA-N 0 1 286.335 2.800 20 30 CFEDMN C#CCCCOc1cccnc1N1CCN(C2CCC2)CC1 ZINC000853329427 634970695 /nfs/dbraw/zinc/97/06/95/634970695.db2.gz JRHUEIPAIQOEEN-UHFFFAOYSA-N 0 1 299.418 2.548 20 30 CFEDMN C[C@@H]1CC(N=Nc2ccc([N+](=O)[O-])cc2F)CN1C1CC1 ZINC000853396235 634993104 /nfs/dbraw/zinc/99/31/04/634993104.db2.gz BICUMENENFBWKK-SECBINFHSA-N 0 1 292.314 2.758 20 30 CFEDMN C[C@@H]1CN(Cc2ccccc2)CC1N=Nc1ccncc1F ZINC000853402460 634995434 /nfs/dbraw/zinc/99/54/34/634995434.db2.gz ZCPPDIMSLAACSA-CYBMUJFWSA-N 0 1 298.365 2.562 20 30 CFEDMN Cc1nc(C)c(C(C)N=Nc2ccncc2F)s1 ZINC000853402328 634995699 /nfs/dbraw/zinc/99/56/99/634995699.db2.gz WPUAOXSBBBDVGV-UHFFFAOYSA-N 0 1 264.329 2.552 20 30 CFEDMN C(=NOCC1CCC1)c1ccc(N2CCCC2)nc1 ZINC000853439825 635000737 /nfs/dbraw/zinc/00/07/37/635000737.db2.gz RZZVDAJGJQOIMP-UHFFFAOYSA-N 0 1 259.353 2.832 20 30 CFEDMN C=C1C[C@H]2CC[C@@H](C1)N2CN1C(=O)[C@@H]2CCCCC[C@@H]21 ZINC000853598115 635046045 /nfs/dbraw/zinc/04/60/45/635046045.db2.gz LDJWJKFQSRLHEH-QXSJWSMHSA-N 0 1 274.408 2.918 20 30 CFEDMN C=CCCONC(=O)[C@@H]1COc2ccc(Cl)cc2C1 ZINC000856029594 635705243 /nfs/dbraw/zinc/70/52/43/635705243.db2.gz VNZOOSCABMSDQS-NSHDSACASA-N 0 1 281.739 2.515 20 30 CFEDMN C[C@@H](CC1CCCC1)C(=O)C(C#N)C(=O)Nc1ccccn1 ZINC000114618635 635866657 /nfs/dbraw/zinc/86/66/57/635866657.db2.gz FJZKKCVZPUEBOJ-GXTWGEPZSA-N 0 1 299.374 2.945 20 30 CFEDMN CC1(c2ccccc2)CN(C[C@@H](O)c2ccc(C#N)cc2)C1 ZINC000857212525 635948659 /nfs/dbraw/zinc/94/86/59/635948659.db2.gz OYJCRTKNCMAZBT-GOSISDBHSA-N 0 1 292.382 2.865 20 30 CFEDMN N#Cc1ccc(C2(NCc3ccoc3)CCOCC2)cc1 ZINC000858289274 636177028 /nfs/dbraw/zinc/17/70/28/636177028.db2.gz DONLDWCGUUHDNT-UHFFFAOYSA-N 0 1 282.343 2.947 20 30 CFEDMN C#CC[C@H](COC)NCc1cnc(C2CCCC2)s1 ZINC000858334661 636195806 /nfs/dbraw/zinc/19/58/06/636195806.db2.gz FMWRHJKZXFDMMK-CYBMUJFWSA-N 0 1 278.421 2.929 20 30 CFEDMN CCCCCCCCCC(=O)N1CCN[C@@H](C)C1 ZINC000116309231 636337234 /nfs/dbraw/zinc/33/72/34/636337234.db2.gz NYAAZRIODZXUEZ-AWEZNQCLSA-N 0 1 254.418 2.947 20 30 CFEDMN C#CC[C@@H](CCOC)Nc1cc[nH+]c2c([O-])cccc12 ZINC000858857208 636358956 /nfs/dbraw/zinc/35/89/56/636358956.db2.gz QCVDZXCWGODEOJ-LBPRGKRZSA-N 0 1 270.332 2.781 20 30 CFEDMN Cc1ccc(COC(=O)C(C)(C)N2CCCC2)cc1C#N ZINC000859693046 636654683 /nfs/dbraw/zinc/65/46/83/636654683.db2.gz RTQVGZJAWGZTIY-UHFFFAOYSA-N 0 1 286.375 2.784 20 30 CFEDMN COc1cc(C(=O)Nc2cc(C#N)ccc2O)ccc1F ZINC000159862634 650282187 /nfs/dbraw/zinc/28/21/87/650282187.db2.gz BBAQWLCTGVXGRQ-UHFFFAOYSA-N 0 1 286.262 2.664 20 30 CFEDMN C[C@@H](C#N)OCCNC1(c2c(F)cccc2F)CCC1 ZINC000860206032 636826423 /nfs/dbraw/zinc/82/64/23/636826423.db2.gz XDNJEKPGFITTIO-NSHDSACASA-N 0 1 280.318 2.862 20 30 CFEDMN Cc1cc(C(C#N)C(=O)C[C@H](C)C(F)(F)F)nc(C)n1 ZINC000860465604 636891599 /nfs/dbraw/zinc/89/15/99/636891599.db2.gz KZQOPNDEHRCGFH-OIBJUYFYSA-N 0 1 285.269 2.858 20 30 CFEDMN N#CC(C(=O)[C@@H]1[C@@H]2Cc3ccccc3[C@@H]21)c1ccccn1 ZINC000860467277 636892254 /nfs/dbraw/zinc/89/22/54/636892254.db2.gz IHZKGVYRPAFJCG-YQFWSFKMSA-N 0 1 274.323 2.844 20 30 CFEDMN CCCC[C@H](CC)CC(=O)[C@@H](C#N)C(=O)NC1CC1 ZINC000117532379 636896296 /nfs/dbraw/zinc/89/62/96/636896296.db2.gz CTIPTEJRGQOEAZ-WCQYABFASA-N 0 1 264.369 2.580 20 30 CFEDMN C#C[C@H](OC(=O)CCCCc1cn[nH]n1)c1ccc(C)cc1 ZINC000860963337 637032766 /nfs/dbraw/zinc/03/27/66/637032766.db2.gz UUZNBFHVFDEYMO-INIZCTEOSA-N 0 1 297.358 2.744 20 30 CFEDMN C=CC[C@@H](C(=O)OCCN1CCC1)c1ccccc1 ZINC000861389812 637187688 /nfs/dbraw/zinc/18/76/88/637187688.db2.gz YTXIHLDBBDLHCJ-OAHLLOKOSA-N 0 1 259.349 2.595 20 30 CFEDMN C#C[C@H](C)NCc1cccc(F)c1OCC(F)(F)F ZINC000862363976 637336055 /nfs/dbraw/zinc/33/60/55/637336055.db2.gz YFGQJUPZFLAZBF-VIFPVBQESA-N 0 1 275.245 2.878 20 30 CFEDMN Cc1ccc(CN2CCN(c3ccc(C#N)nc3)CC2)s1 ZINC000862421194 637372535 /nfs/dbraw/zinc/37/25/35/637372535.db2.gz KWWHNTYXJZMOPH-UHFFFAOYSA-N 0 1 298.415 2.645 20 30 CFEDMN C#CC[C@H]1CC[N@H+](Cc2cccc(Br)c2[O-])C1 ZINC000862444779 637385618 /nfs/dbraw/zinc/38/56/18/637385618.db2.gz HBGHTASFJUYLTR-NSHDSACASA-N 0 1 294.192 3.000 20 30 CFEDMN C#CC[C@H]1CCN(Cc2cncc(Br)c2)C1 ZINC000862444651 637385889 /nfs/dbraw/zinc/38/58/89/637385889.db2.gz FAWFQJACMRBZJN-NSHDSACASA-N 0 1 279.181 2.689 20 30 CFEDMN CCCCCCCC(=O)N1CCN(CC(C)(C)O)[C@@H](C)C1 ZINC000188725109 650344006 /nfs/dbraw/zinc/34/40/06/650344006.db2.gz RFNCSOKGXPUEGM-HNNXBMFYSA-N 0 1 298.471 2.651 20 30 CFEDMN Cc1ccc(C(=O)NC[C@@H]2CC[N@H+]2C2CCCC2)cc1C#N ZINC000863033431 637539776 /nfs/dbraw/zinc/53/97/76/637539776.db2.gz VESLHZHWNLRTRI-KRWDZBQOSA-N 0 1 297.402 2.613 20 30 CFEDMN Cc1cnccc1[N-][NH+]=C1CCCc2cc(N)ccc21 ZINC000863158306 637571389 /nfs/dbraw/zinc/57/13/89/637571389.db2.gz WGVGMQQMAOCYQV-UHFFFAOYSA-N 0 1 266.348 2.547 20 30 CFEDMN CCc1[nH]nc(Cl)c1C=N[N-]c1cccc(C)[nH+]1 ZINC000863160654 637575071 /nfs/dbraw/zinc/57/50/71/637575071.db2.gz NQWPDNDJTUOJLZ-UHFFFAOYSA-N 0 1 263.732 2.775 20 30 CFEDMN C[C@H]1CC(N=Nc2ccnc(C(F)(F)F)c2)C[N@H+]1C ZINC000863182032 637581687 /nfs/dbraw/zinc/58/16/87/637581687.db2.gz WXTZCYNREVKRLL-QMMMGPOBSA-N 0 1 272.274 2.592 20 30 CFEDMN C[C@H]1CC(N=Nc2ccnc(C(F)(F)F)c2)CN1C ZINC000863182032 637581692 /nfs/dbraw/zinc/58/16/92/637581692.db2.gz WXTZCYNREVKRLL-QMMMGPOBSA-N 0 1 272.274 2.592 20 30 CFEDMN C=C(C)CN1CC[C@@H](NC(=O)c2cccc(Cl)c2)C1 ZINC001016068169 651222728 /nfs/dbraw/zinc/22/27/28/651222728.db2.gz IYNGLYIGFNWQMQ-CQSZACIVSA-N 0 1 278.783 2.720 20 30 CFEDMN C#CCCOc1ccc(CNc2ccc3nn[nH]c3c2)cc1 ZINC000120450753 638238741 /nfs/dbraw/zinc/23/87/41/638238741.db2.gz FZNJOVMTLGUFBT-UHFFFAOYSA-N 0 1 292.342 2.972 20 30 CFEDMN C#CCCOc1ccc(CNc2ccc3n[nH]nc3c2)cc1 ZINC000120450753 638238745 /nfs/dbraw/zinc/23/87/45/638238745.db2.gz FZNJOVMTLGUFBT-UHFFFAOYSA-N 0 1 292.342 2.972 20 30 CFEDMN CCCCCCNC(=O)C(C#N)C(=O)[C@H](C)CCC ZINC000076818394 650406206 /nfs/dbraw/zinc/40/62/06/650406206.db2.gz MFTYISMVYYTHLG-CHWSQXEVSA-N 0 1 266.385 2.828 20 30 CFEDMN N#Cc1ccc2nc(NCc3ccnn3CC3CC3)[nH]c2c1 ZINC000865296309 638262572 /nfs/dbraw/zinc/26/25/72/638262572.db2.gz VGCJOQJQPVFVKC-UHFFFAOYSA-N 0 1 292.346 2.653 20 30 CFEDMN C[C@@H]1CCC[C@@H](C(=O)C(C#N)C(=O)NC2CCCC2)C1 ZINC000076839024 650407132 /nfs/dbraw/zinc/40/71/32/650407132.db2.gz IVFRXXHEQJMQKV-YRGRVCCFSA-N 0 1 276.380 2.580 20 30 CFEDMN C#CCOc1ccc(CNc2ccc3nn[nH]c3c2)cc1 ZINC000120501473 638273174 /nfs/dbraw/zinc/27/31/74/638273174.db2.gz ZBMBAVQMJHAIEC-UHFFFAOYSA-N 0 1 278.315 2.582 20 30 CFEDMN C#CCOc1ccc(CNc2ccc3n[nH]nc3c2)cc1 ZINC000120501473 638273175 /nfs/dbraw/zinc/27/31/75/638273175.db2.gz ZBMBAVQMJHAIEC-UHFFFAOYSA-N 0 1 278.315 2.582 20 30 CFEDMN C=CCN1C(=O)N=NC1SCc1ccc(C)c(Cl)n1 ZINC000865359849 638282564 /nfs/dbraw/zinc/28/25/64/638282564.db2.gz XPGJLDMBCRRGJE-UHFFFAOYSA-N 0 1 296.783 2.819 20 30 CFEDMN C#C[C@@H](NCc1cnc2c(F)cccc2c1)[C@H]1CCCO1 ZINC000865531136 638400788 /nfs/dbraw/zinc/40/07/88/638400788.db2.gz HHXSICUYOGXXEO-HZPDHXFCSA-N 0 1 284.334 2.644 20 30 CFEDMN N#Cc1ccc2ncc(CN[C@H]3CCCC[C@H]3F)n2c1 ZINC000865698554 638521748 /nfs/dbraw/zinc/52/17/48/638521748.db2.gz CKOQHSKPEXZBPR-KGLIPLIRSA-N 0 1 272.327 2.576 20 30 CFEDMN N#CC(C(=O)[C@H]1CCOc2ccccc21)c1ccccn1 ZINC000077559224 650432077 /nfs/dbraw/zinc/43/20/77/650432077.db2.gz LJQZJENGBNECGX-UONOGXRCSA-N 0 1 278.311 2.824 20 30 CFEDMN N#Cc1csc(CNCc2cc3c([nH]c2=O)CCCC3)c1 ZINC000865878528 638639773 /nfs/dbraw/zinc/63/97/73/638639773.db2.gz QNHYJGDMCPFGEI-UHFFFAOYSA-N 0 1 299.399 2.889 20 30 CFEDMN FC(F)C(F)(F)CNc1ccncc1C(F)(F)F ZINC000865962592 638677966 /nfs/dbraw/zinc/67/79/66/638677966.db2.gz NMJYGGNAEXSXNV-UHFFFAOYSA-N 0 1 276.155 2.835 20 30 CFEDMN CN1CCN(c2snc(Cl)c2C#N)CCC1(C)C ZINC000866114624 638743928 /nfs/dbraw/zinc/74/39/28/638743928.db2.gz MUBVOXMNVMCFTJ-UHFFFAOYSA-N 0 1 284.816 2.589 20 30 CFEDMN CCCN1CCC([NH2+][C@H](C)c2cccc(C#N)c2[O-])CC1 ZINC000866218707 638772819 /nfs/dbraw/zinc/77/28/19/638772819.db2.gz WINJDYBHJAYFMI-CYBMUJFWSA-N 0 1 287.407 2.789 20 30 CFEDMN C=C[C@@H]1OCC[C@H]1CN[C@H]1c2ccccc2OC[C@@H]1F ZINC000866379769 638810041 /nfs/dbraw/zinc/81/00/41/638810041.db2.gz TVHYTNUFHOLJNY-PCBIJLKTSA-N 0 1 277.339 2.639 20 30 CFEDMN N#C[C@H]1CC[C@@H](NCc2noc3ccc(F)cc32)C1 ZINC000866510348 638832799 /nfs/dbraw/zinc/83/27/99/638832799.db2.gz AGKWTEZNMOSGIE-GXSJLCMTSA-N 0 1 259.284 2.749 20 30 CFEDMN CCCCN(C(=O)[C@H]1NCCc2cc(C#N)ccc21)C1CC1 ZINC000867927823 638905926 /nfs/dbraw/zinc/90/59/26/638905926.db2.gz PKUNAFLQAZEKFF-KRWDZBQOSA-N 0 1 297.402 2.536 20 30 CFEDMN CC1(NC(=O)[C@@H]2NCCc3cc(C#N)ccc32)CCCCC1 ZINC000867942333 638907170 /nfs/dbraw/zinc/90/71/70/638907170.db2.gz PSFYEKYYHBZJGB-MRXNPFEDSA-N 0 1 297.402 2.584 20 30 CFEDMN C[C@@H]1CCCCCN1C(=O)[C@H]1NCCc2cc(C#N)ccc21 ZINC000867948334 638908008 /nfs/dbraw/zinc/90/80/08/638908008.db2.gz SVEILWCKSVTDTI-DYVFJYSZSA-N 0 1 297.402 2.536 20 30 CFEDMN CCC(CC)(CC)NC(=O)[C@H]1NCCc2cc(C#N)ccc21 ZINC000867952995 638908635 /nfs/dbraw/zinc/90/86/35/638908635.db2.gz KVGBSVYZEJNRQB-INIZCTEOSA-N 0 1 299.418 2.830 20 30 CFEDMN C=CCCCCCNC(=O)[C@H]1NCCc2cc(C#N)ccc21 ZINC000867983160 638910826 /nfs/dbraw/zinc/91/08/26/638910826.db2.gz LXFLYOCBYMHGBK-KRWDZBQOSA-N 0 1 297.402 2.608 20 30 CFEDMN CC(C)(C)[C@@H](C#N)OC(=O)c1[nH]nc2c1CCCCC2 ZINC000191279024 650488037 /nfs/dbraw/zinc/48/80/37/650488037.db2.gz JHLJUFWQWKLNGD-GFCCVEGCSA-N 0 1 275.352 2.774 20 30 CFEDMN COc1ccc(C(=O)/C=C/c2c(Cl)cnn2C)c(O)c1 ZINC000122696554 639339568 /nfs/dbraw/zinc/33/95/68/639339568.db2.gz UNSSAPZCKXYADI-AATRIKPKSA-N 0 1 292.722 2.684 20 30 CFEDMN Cc1nc([C@H](C)OC(=O)C(C)(C)c2ccc(C#N)cc2)n[nH]1 ZINC000870045997 639509210 /nfs/dbraw/zinc/50/92/10/639509210.db2.gz FVVGPQCKYMZSBD-JTQLQIEISA-N 0 1 298.346 2.567 20 30 CFEDMN Cc1nc([C@@H](C)OC(=O)C(C)(C)c2ccc(C#N)cc2)n[nH]1 ZINC000870045998 639509350 /nfs/dbraw/zinc/50/93/50/639509350.db2.gz FVVGPQCKYMZSBD-SNVBAGLBSA-N 0 1 298.346 2.567 20 30 CFEDMN CC(C)NC(=O)C(C#N)C(=O)[C@@H]1[C@@H](c2ccccc2)C1(C)C ZINC000870146558 639529054 /nfs/dbraw/zinc/52/90/54/639529054.db2.gz ZDOSMXPWSZLUNY-ZNMIVQPWSA-N 0 1 298.386 2.660 20 30 CFEDMN CC[C@@H](C)CC[C@H](O)CC(=O)NOc1cccc(C#N)c1 ZINC000870689772 639772715 /nfs/dbraw/zinc/77/27/15/639772715.db2.gz BEYOKIZXLXKDGZ-OCCSQVGLSA-N 0 1 290.363 2.546 20 30 CFEDMN CC(F)(F)CCC(=O)Nc1nc2ccc(C#N)cc2[nH]1 ZINC000871069907 641184117 /nfs/dbraw/zinc/18/41/17/641184117.db2.gz BUOBAWBXUCVGSK-UHFFFAOYSA-N 0 1 278.262 2.808 20 30 CFEDMN CCC1(C(=O)Nc2nc3ccc(C#N)cc3[nH]2)CCC1 ZINC000871071889 641184837 /nfs/dbraw/zinc/18/48/37/641184837.db2.gz GMTVWOAKFPDFQL-UHFFFAOYSA-N 0 1 268.320 2.953 20 30 CFEDMN C=C[C@](C)(CC)C(=O)Nc1nc2ccc(C#N)cc2[nH]1 ZINC000871072389 641186859 /nfs/dbraw/zinc/18/68/59/641186859.db2.gz KLQXRVBWMSQHMB-OAHLLOKOSA-N 0 1 268.320 2.975 20 30 CFEDMN N#Cc1ccc2nc(NC(=O)[C@@H]3CCCSC3)[nH]c2c1 ZINC000871072148 641186873 /nfs/dbraw/zinc/18/68/73/641186873.db2.gz IFLOUSSIVSKNPJ-SNVBAGLBSA-N 0 1 286.360 2.516 20 30 CFEDMN C[C@H]1CC[C@H](C(=O)Nc2nc3ccc(C#N)cc3[nH]2)C1 ZINC000871073296 641188331 /nfs/dbraw/zinc/18/83/31/641188331.db2.gz WOWRAXVOUQNREA-ONGXEEELSA-N 0 1 268.320 2.809 20 30 CFEDMN CC[C@H](NC[C@@H](C#N)CCC#N)[C@@H](O)c1ccccc1 ZINC000872252606 641719043 /nfs/dbraw/zinc/71/90/43/641719043.db2.gz UCKULXXKUVSYFO-KBMXLJTQSA-N 0 1 271.364 2.532 20 30 CFEDMN CCOc1cccc(F)c1C=NNCCN1CCCCC1 ZINC000872344749 641761520 /nfs/dbraw/zinc/76/15/20/641761520.db2.gz XFTJESJWYVNHLH-UHFFFAOYSA-N 0 1 293.386 2.634 20 30 CFEDMN C[C@@H]1C(N=Nc2cc(F)c(F)cc2F)CCN1C ZINC000872352073 641763533 /nfs/dbraw/zinc/76/35/33/641763533.db2.gz CGJOENHRNIKSJX-SSDOTTSWSA-N 0 1 257.259 2.596 20 30 CFEDMN COc1ccc(NN=C2CCCc3ncccc32)nc1 ZINC000872367928 641774736 /nfs/dbraw/zinc/77/47/36/641774736.db2.gz MCPXBFGTUFRTCT-UHFFFAOYSA-N 0 1 268.320 2.638 20 30 CFEDMN Cc1cc(Br)cnc1N=NC1CCN(C)[C@H]1C ZINC000872382076 641783763 /nfs/dbraw/zinc/78/37/63/641783763.db2.gz ICQPPLZHEBTCDT-VIFPVBQESA-N 0 1 297.200 2.644 20 30 CFEDMN CCCCCNC(=O)C(C#N)C(=O)[C@H](CC)CCC ZINC000873497114 642223019 /nfs/dbraw/zinc/22/30/19/642223019.db2.gz HOUAVTKBAHLFDA-OLZOCXBDSA-N 0 1 266.385 2.828 20 30 CFEDMN N#CC(C(=O)Cc1csc(C2CC2)n1)c1ccccn1 ZINC000873497593 642223199 /nfs/dbraw/zinc/22/31/99/642223199.db2.gz NLKMOCQRKJTINT-GFCCVEGCSA-N 0 1 283.356 2.834 20 30 CFEDMN CCC[C@H](CC)C(=O)C(C#N)C(=O)NCc1ccccc1 ZINC000873497456 642223261 /nfs/dbraw/zinc/22/32/61/642223261.db2.gz KYZAEWYADWAVFL-LSDHHAIUSA-N 0 1 286.375 2.838 20 30 CFEDMN C[C@H](CC#N)C(=O)Nc1nc2ccc(Cl)cc2[nH]1 ZINC000874690506 642451069 /nfs/dbraw/zinc/45/10/69/642451069.db2.gz FJLSPLUINTYCLV-SSDOTTSWSA-N 0 1 262.700 2.705 20 30 CFEDMN C#C[C@H]1CC[C@H](NC(=O)c2c(C)n[nH]c2C(F)(F)F)CC1 ZINC000874863969 642536226 /nfs/dbraw/zinc/53/62/26/642536226.db2.gz NWGXYBBZSLBUGH-MGCOHNPYSA-N 0 1 299.296 2.659 20 30 CFEDMN Cc1cc(F)c(C#N)cc1NC(=O)CN1[C@H](C)CC[C@H]1C ZINC000874900570 642545819 /nfs/dbraw/zinc/54/58/19/642545819.db2.gz MVKMKLQRRBRBGM-VXGBXAGGSA-N 0 1 289.354 2.817 20 30 CFEDMN Cc1cc(F)c(C#N)cc1NC(=O)[C@H](C(C)C)N(C)C ZINC000874900635 642545919 /nfs/dbraw/zinc/54/59/19/642545919.db2.gz OYHWGDCVABUNJC-AWEZNQCLSA-N 0 1 277.343 2.531 20 30 CFEDMN CCOP(=O)(CCCN(C)[C@H](C)CC#N)OCC ZINC000876690867 642975968 /nfs/dbraw/zinc/97/59/68/642975968.db2.gz TWOKHIKLBLBBQE-GFCCVEGCSA-N 0 1 276.317 2.877 20 30 CFEDMN C#CCCCCCCN1CCN(c2nc(C)ns2)CC1 ZINC000876769122 643002572 /nfs/dbraw/zinc/00/25/72/643002572.db2.gz OUKVCZIESYVYBJ-UHFFFAOYSA-N 0 1 292.452 2.552 20 30 CFEDMN CC(C)(C)OCCNCc1cc(C#N)cnc1Cl ZINC000876987611 643093998 /nfs/dbraw/zinc/09/39/98/643093998.db2.gz CFFCKJDPOODJME-UHFFFAOYSA-N 0 1 267.760 2.511 20 30 CFEDMN C=CCSCCNCc1cc(C#N)cnc1Cl ZINC000877020940 643107206 /nfs/dbraw/zinc/10/72/06/643107206.db2.gz JGRAPDZJLSJUCM-UHFFFAOYSA-N 0 1 267.785 2.615 20 30 CFEDMN C[C@@H]1C[C@H](CC(=O)[C@H](C#N)C(=O)NC2CC2)CC(C)(C)C1 ZINC000245402214 650814004 /nfs/dbraw/zinc/81/40/04/650814004.db2.gz HIGUAUVSAPRQOF-BZPMIXESSA-N 0 1 290.407 2.826 20 30 CFEDMN N#Cc1cnc(Cl)c(CN[C@H]2Cc3cccc(O)c3C2)c1 ZINC000877477091 643294450 /nfs/dbraw/zinc/29/44/50/643294450.db2.gz XAYVMEKMXXTDGU-ZDUSSCGKSA-N 0 1 299.761 2.569 20 30 CFEDMN C#C[C@H](NCc1c(C(F)(F)F)nc2n1CCCC2)C(C)C ZINC000877513504 643319989 /nfs/dbraw/zinc/31/99/89/643319989.db2.gz XHBZEUFQCVUYLY-NSHDSACASA-N 0 1 299.340 2.986 20 30 CFEDMN C#CCCCCCCN1CCOC[C@@H]1CC(F)F ZINC000877520052 643324423 /nfs/dbraw/zinc/32/44/23/643324423.db2.gz YLJQZMUPZPZIML-ZDUSSCGKSA-N 0 1 259.340 2.926 20 30 CFEDMN C#C[C@H](NCc1cc2c(cc[nH]c2=O)o1)C(C)(C)C ZINC000877534179 643337749 /nfs/dbraw/zinc/33/77/49/643337749.db2.gz ALKVUHGRCRWNIW-ZDUSSCGKSA-N 0 1 258.321 2.671 20 30 CFEDMN CCC(C)(C)OCCNCc1cc(C#N)cnc1Cl ZINC000877578499 643375604 /nfs/dbraw/zinc/37/56/04/643375604.db2.gz GNPPSENGHUREOG-UHFFFAOYSA-N 0 1 281.787 2.901 20 30 CFEDMN CO[C@H]1C[C@H](NCc2cc(C#N)cnc2Cl)C12CCC2 ZINC000877584431 643380071 /nfs/dbraw/zinc/38/00/71/643380071.db2.gz FPSJXLFLZPWBKL-STQMWFEESA-N 0 1 291.782 2.654 20 30 CFEDMN N#CC(C(=O)NC1CC1)C(=O)[C@@H]1CC[C@H]2CCCC[C@H]2C1 ZINC000245858043 650838603 /nfs/dbraw/zinc/83/86/03/650838603.db2.gz CTXYJIXFOSJBOF-COMQUAJESA-N 0 1 288.391 2.580 20 30 CFEDMN C#CC[C@H]1CC[N@H+](Cc2ccc(F)c(F)c2[O-])C1 ZINC000877651202 643432419 /nfs/dbraw/zinc/43/24/19/643432419.db2.gz SGSMITBWNKGIDV-JTQLQIEISA-N 0 1 251.276 2.516 20 30 CFEDMN C=C(C)C[C@H](NCc1cccc(Cl)c1O)C(=O)OC ZINC000877690895 643456894 /nfs/dbraw/zinc/45/68/94/643456894.db2.gz WCHDVKJYUOVLEI-LBPRGKRZSA-N 0 1 283.755 2.643 20 30 CFEDMN CN(CCc1cccc(C#N)c1)Cc1cncs1 ZINC000877704960 643472198 /nfs/dbraw/zinc/47/21/98/643472198.db2.gz YPFWUQCSUUQKER-UHFFFAOYSA-N 0 1 257.362 2.689 20 30 CFEDMN N#Cc1cnc(Cl)c(CNCC[C@H](O)C2CCCC2)c1 ZINC000877779494 643555817 /nfs/dbraw/zinc/55/58/17/643555817.db2.gz WWFSWTZBAUVBQV-AWEZNQCLSA-N 0 1 293.798 2.637 20 30 CFEDMN C=CC[C@H](C)N1CCN(C(=O)C(CC)CC)CC1 ZINC000877897214 643628638 /nfs/dbraw/zinc/62/86/38/643628638.db2.gz GZAFWGDINJAIQM-ZDUSSCGKSA-N 0 1 252.402 2.531 20 30 CFEDMN C=CC[C@H](C(=O)OC)N1CCCc2ccccc2C1 ZINC000878084152 643727291 /nfs/dbraw/zinc/72/72/91/643727291.db2.gz BMFOLTRMGQQTFI-OAHLLOKOSA-N 0 1 259.349 2.553 20 30 CFEDMN C=CC[C@@H](C)N1CCN([C@H](C)c2nccs2)CC1 ZINC000878436669 643894232 /nfs/dbraw/zinc/89/42/32/643894232.db2.gz DCVYJJNMYVHGJL-CHWSQXEVSA-N 0 1 265.426 2.786 20 30 CFEDMN Cc1n[nH]c(C)c1[C@H](C)CC(=O)Nc1cc(C#N)ccc1O ZINC000127134987 643908150 /nfs/dbraw/zinc/90/81/50/643908150.db2.gz USSITIUZNJRNON-SECBINFHSA-N 0 1 298.346 2.736 20 30 CFEDMN C=CC[C@H](C)N1CCO[C@@H](COc2ccccc2)C1 ZINC000878500562 643918275 /nfs/dbraw/zinc/91/82/75/643918275.db2.gz APWMAIRFXPQPFN-GOEBONIOSA-N 0 1 261.365 2.731 20 30 CFEDMN C=CC[C@@H](C)N1CCO[C@H](COc2ccccc2)C1 ZINC000878500564 643918586 /nfs/dbraw/zinc/91/85/86/643918586.db2.gz APWMAIRFXPQPFN-ZBFHGGJFSA-N 0 1 261.365 2.731 20 30 CFEDMN C[C@@H]1CN(Cc2cncc3ccccc32)C[C@H](C)N1CC#N ZINC000878772114 644021985 /nfs/dbraw/zinc/02/19/85/644021985.db2.gz FUPYGYNGOGAULC-GASCZTMLSA-N 0 1 294.402 2.653 20 30 CFEDMN CC(=O)c1cc(Cl)cc(C[NH2+][C@H](C)CC#N)c1[O-] ZINC000878818386 644038076 /nfs/dbraw/zinc/03/80/76/644038076.db2.gz PZPPYLJVGYDHNE-MRVPVSSYSA-N 0 1 266.728 2.640 20 30 CFEDMN CC(=O)c1cc(Cl)cc(C[NH2+][C@@H](C)CC#N)c1[O-] ZINC000878818387 644038531 /nfs/dbraw/zinc/03/85/31/644038531.db2.gz PZPPYLJVGYDHNE-QMMMGPOBSA-N 0 1 266.728 2.640 20 30 CFEDMN C#C[C@H]1CCCN([C@H](C)C(=O)N[C@H](C)c2ccccc2)C1 ZINC000878844262 644047554 /nfs/dbraw/zinc/04/75/54/644047554.db2.gz VDXQUVGSNLVUCC-OAGGEKHMSA-N 0 1 284.403 2.598 20 30 CFEDMN C=CC[C@H](C)N1C[C@H](C)O[C@@H](CC(F)(F)F)C1 ZINC000878997724 644105751 /nfs/dbraw/zinc/10/57/51/644105751.db2.gz JPUHOVKTYWMPOI-DCAQKATOSA-N 0 1 251.292 2.993 20 30 CFEDMN N#Cc1cnccc1CN1CCC[C@@H]1[C@H](O)c1ccccc1 ZINC000879245525 644192773 /nfs/dbraw/zinc/19/27/73/644192773.db2.gz KRVHGTXUBZGFSH-QZTJIDSGSA-N 0 1 293.370 2.651 20 30 CFEDMN CN(CCCN(C)[C@@H]1CCC[C@H]1C#N)C(=O)OC(C)(C)C ZINC000879309153 644216463 /nfs/dbraw/zinc/21/64/63/644216463.db2.gz KRACMRITNYUWQA-UONOGXRCSA-N 0 1 295.427 2.867 20 30 CFEDMN CO[C@@H]1CC[C@H](C)N(CC#Cc2ccc(F)cc2)C1 ZINC000879320949 644225819 /nfs/dbraw/zinc/22/58/19/644225819.db2.gz KEPYWGUASURRKC-XJKSGUPXSA-N 0 1 261.340 2.677 20 30 CFEDMN C=C(Br)CN1CC[C@H](O)[C@H]2CCCC[C@@H]21 ZINC000879417335 644263984 /nfs/dbraw/zinc/26/39/84/644263984.db2.gz XAULSMROOZMLSS-SRVKXCTJSA-N 0 1 274.202 2.520 20 30 CFEDMN Cc1cc(=O)[n-]c([C@H](C)[N@H+](C)CCc2cccc(C#N)c2)n1 ZINC000879433146 644270706 /nfs/dbraw/zinc/27/07/06/644270706.db2.gz PTSXDTWHDPHMTL-ZDUSSCGKSA-N 0 1 296.374 2.598 20 30 CFEDMN Cc1cc(=O)[n-]c([C@H](C)[N@@H+](C)CCc2cccc(C#N)c2)n1 ZINC000879433146 644270711 /nfs/dbraw/zinc/27/07/11/644270711.db2.gz PTSXDTWHDPHMTL-ZDUSSCGKSA-N 0 1 296.374 2.598 20 30 CFEDMN Cc1cc(=O)[nH]c([C@H](C)N(C)CCc2cccc(C#N)c2)n1 ZINC000879433146 644270715 /nfs/dbraw/zinc/27/07/15/644270715.db2.gz PTSXDTWHDPHMTL-ZDUSSCGKSA-N 0 1 296.374 2.598 20 30 CFEDMN COC(=O)[C@@H](c1ccc(C#N)cc1)N1C[C@@H]2CC=CC[C@@H]2C1 ZINC000879529823 644308131 /nfs/dbraw/zinc/30/81/31/644308131.db2.gz WESDGWYFWLJTEW-IXDOHACOSA-N 0 1 296.370 2.670 20 30 CFEDMN C=CCNC(=O)CN1CC[C@@H](c2ccccc2F)C1(C)C ZINC000879639851 644359335 /nfs/dbraw/zinc/35/93/35/644359335.db2.gz DGUNGAUSGLVTLV-AWEZNQCLSA-N 0 1 290.382 2.696 20 30 CFEDMN N#Cc1cnccc1CNC1([C@H]2CCCCO2)CCC1 ZINC000879734513 644401838 /nfs/dbraw/zinc/40/18/38/644401838.db2.gz JZDSJYFZAJUUBP-OAHLLOKOSA-N 0 1 271.364 2.535 20 30 CFEDMN CC#CCC[N@H+]1CCC[C@H]2[C@H]1CCN2C(=O)OC(C)(C)C ZINC000879755997 644412889 /nfs/dbraw/zinc/41/28/89/644412889.db2.gz YHFWEQDPJFFHTK-CABCVRRESA-N 0 1 292.423 2.874 20 30 CFEDMN CC(C)(C)OC(=O)N1CC[C@H]2[C@H]1CCC[N@H+]2CCCC#N ZINC000879755455 644413384 /nfs/dbraw/zinc/41/33/84/644413384.db2.gz UAKQMNVUSUXXQH-UONOGXRCSA-N 0 1 293.411 2.764 20 30 CFEDMN CC(C)(C)OC(=O)N1CC[C@H]2[C@H]1CCCN2CCCC#N ZINC000879755455 644413386 /nfs/dbraw/zinc/41/33/86/644413386.db2.gz UAKQMNVUSUXXQH-UONOGXRCSA-N 0 1 293.411 2.764 20 30 CFEDMN C=C(CNC(=O)[C@H]1c2cn[nH]c2CC[C@@H]1C)c1ccccc1 ZINC000879995203 644486830 /nfs/dbraw/zinc/48/68/30/644486830.db2.gz ANURCMJBIOTZCZ-YVEFUNNKSA-N 0 1 295.386 2.905 20 30 CFEDMN CCC#C[C@H](C)N1CCc2ccc(NC(C)=O)cc2C1 ZINC000880031654 644508507 /nfs/dbraw/zinc/50/85/07/644508507.db2.gz SGTPNPWRIXWUOG-ZDUSSCGKSA-N 0 1 270.376 2.805 20 30 CFEDMN C[C@H]1CCc2[nH]ncc2[C@@H]1C(=O)Nc1cccc(CC#N)c1 ZINC000880234941 644596532 /nfs/dbraw/zinc/59/65/32/644596532.db2.gz WNZGYVKSKKFDHE-MEDUHNTESA-N 0 1 294.358 2.780 20 30 CFEDMN C[C@@H]1C[C@H]1C(=O)C(C#N)C(=O)Nc1ccccc1Cl ZINC000128354554 644650455 /nfs/dbraw/zinc/65/04/55/644650455.db2.gz GQGQXJNCADHEHA-OPRDCNLKSA-N 0 1 276.723 2.643 20 30 CFEDMN C#CCC1(O)CCN([C@@H](C)c2nc3ccccc3o2)CC1 ZINC000880481216 644731502 /nfs/dbraw/zinc/73/15/02/644731502.db2.gz ORRRAYJARLPEIU-ZDUSSCGKSA-N 0 1 284.359 2.739 20 30 CFEDMN C#CCC1(O)CCN(Cc2cccc(OC)c2Cl)CC1 ZINC000880482422 644732450 /nfs/dbraw/zinc/73/24/50/644732450.db2.gz IGWLDQDAGPWVNW-UHFFFAOYSA-N 0 1 293.794 2.699 20 30 CFEDMN C=CC(C)(C)CCNC(=O)[C@H]1c2cn[nH]c2CC[C@@H]1C ZINC000880824607 644843408 /nfs/dbraw/zinc/84/34/08/644843408.db2.gz NHJPBTAGTJHRRE-SMDDNHRTSA-N 0 1 275.396 2.794 20 30 CFEDMN CCN1CC[C@H]1CNC(=O)Nc1ccc(C2CC2)c(C#N)c1 ZINC000881118639 644909290 /nfs/dbraw/zinc/90/92/90/644909290.db2.gz DZHJLHMHEJOTJU-HNNXBMFYSA-N 0 1 298.390 2.651 20 30 CFEDMN C=CCCN1CCC[C@H](NC(=O)c2sccc2F)C1 ZINC001007281676 651013590 /nfs/dbraw/zinc/01/35/90/651013590.db2.gz SLWHECIAKYJZAB-NSHDSACASA-N 0 1 282.384 2.658 20 30 CFEDMN C=CCC[C@H](CO)[NH2+]Cc1c([O-])cc(C)cc1Cl ZINC000883138688 645622191 /nfs/dbraw/zinc/62/21/91/645622191.db2.gz MEGNCUBWZOOOHJ-LLVKDONJSA-N 0 1 269.772 2.771 20 30 CFEDMN N#CC(C(=O)[C@H]1CC1(Cl)Cl)c1nc2ccccc2[nH]1 ZINC000097466069 651028832 /nfs/dbraw/zinc/02/88/32/651028832.db2.gz GFASFNHVDIIJEH-HTQZYQBOSA-N 0 1 294.141 2.933 20 30 CFEDMN C#CC1(NCc2cnc(Cl)c(F)c2)CCCC1 ZINC000883361383 645768233 /nfs/dbraw/zinc/76/82/33/645768233.db2.gz BNCLFJFCHPELOI-UHFFFAOYSA-N 0 1 252.720 2.910 20 30 CFEDMN C=C(C)C[C@@H](CO)NCc1nccc(C)c1Br ZINC000883399799 645795421 /nfs/dbraw/zinc/79/54/21/645795421.db2.gz VUQBUHHVBUCCOO-NSHDSACASA-N 0 1 299.212 2.569 20 30 CFEDMN C=C(C)C[C@@H](CO)NCc1ccc([N+](=O)[O-])cc1Cl ZINC000883400136 645796717 /nfs/dbraw/zinc/79/67/17/645796717.db2.gz FMJHLQJYFPCMEC-NSHDSACASA-N 0 1 284.743 2.665 20 30 CFEDMN CC1(C)CCC(C(=O)C(C#N)C(=O)NC2CCCC2)CC1 ZINC000132035467 645865840 /nfs/dbraw/zinc/86/58/40/645865840.db2.gz GNVHQTWTSNTJOU-CQSZACIVSA-N 0 1 290.407 2.970 20 30 CFEDMN C=C(C)CN1CCC[C@@H](NC(=O)C(F)=C2CCCC2)C1 ZINC001007087662 651132141 /nfs/dbraw/zinc/13/21/41/651132141.db2.gz WAAMODRXKWTVJO-CQSZACIVSA-N 0 1 280.387 2.941 20 30 CFEDMN CC(C)C(N)=NOCc1csc(C(C)(C)C)n1 ZINC000133632203 646197416 /nfs/dbraw/zinc/19/74/16/646197416.db2.gz CKCOLQLIEYXXBH-UHFFFAOYSA-N 0 1 255.387 2.885 20 30 CFEDMN Cc1nc(C2CCN(c3ncc(C#N)cc3F)CC2)[nH]c1C ZINC000884705646 646534587 /nfs/dbraw/zinc/53/45/87/646534587.db2.gz CDNWWPBPTXDCMW-UHFFFAOYSA-N 0 1 299.353 2.816 20 30 CFEDMN C#CCN1CCC(N(C)C(=O)c2cc(C)c(C)s2)CC1 ZINC001006385858 646680580 /nfs/dbraw/zinc/68/05/80/646680580.db2.gz ZNDZYJGTNTZPHU-UHFFFAOYSA-N 0 1 290.432 2.535 20 30 CFEDMN C=CCCCOC(=O)C1CCCN(C(C)(C)C)C1=O ZINC000885477695 646694442 /nfs/dbraw/zinc/69/44/42/646694442.db2.gz KNOLFSWIIYEZLQ-GFCCVEGCSA-N 0 1 267.369 2.533 20 30 CFEDMN CCc1nc([C@@H](C)NC[C@@H](O)CC2(C#N)CCC2)cs1 ZINC000886129728 646886904 /nfs/dbraw/zinc/88/69/04/646886904.db2.gz MGLMJXUODWRUHQ-NEPJUHHUSA-N 0 1 293.436 2.801 20 30 CFEDMN COc1ccc(CNCC(C)(C)CC#N)c(F)c1OC ZINC000886142977 646892896 /nfs/dbraw/zinc/89/28/96/646892896.db2.gz PZUIOSSPUKWSJP-UHFFFAOYSA-N 0 1 280.343 2.872 20 30 CFEDMN COc1cncc(CNCc2ccc(SC)c(C#N)c2)c1 ZINC000886277067 646947161 /nfs/dbraw/zinc/94/71/61/646947161.db2.gz FUZFNTGOMNUHFS-UHFFFAOYSA-N 0 1 299.399 2.974 20 30 CFEDMN Cc1ccc(N(CCC#N)C(=O)CN2C[C@@H]3C[C@@H]3C2)cc1C ZINC000886331533 646974115 /nfs/dbraw/zinc/97/41/15/646974115.db2.gz HGMRHKJDECVPHT-IYBDPMFKSA-N 0 1 297.402 2.502 20 30 CFEDMN C#CC[C@@H]1CC[N@H+](CC(=O)N(c2ccccc2)C(C)C)C1 ZINC000886354043 646983582 /nfs/dbraw/zinc/98/35/82/646983582.db2.gz VAKGNULJMHMQIP-MRXNPFEDSA-N 0 1 284.403 2.773 20 30 CFEDMN C#CC[C@@H]1CCN(CC(=O)Nc2cc(C)ccc2C)C1 ZINC000886355326 646984558 /nfs/dbraw/zinc/98/45/58/646984558.db2.gz GLUHISNVIICAKC-OAHLLOKOSA-N 0 1 270.376 2.587 20 30 CFEDMN C#CC[C@H]1CCN(Cc2nnc(-c3ccc(C)cc3)o2)C1 ZINC000886356107 646984669 /nfs/dbraw/zinc/98/46/69/646984669.db2.gz UAEKAKCPWICFNA-AWEZNQCLSA-N 0 1 281.359 2.890 20 30 CFEDMN C#CC[C@@H]1CCN(CC(=O)Nc2ccc(Cl)cc2)C1 ZINC000886358701 646986225 /nfs/dbraw/zinc/98/62/25/646986225.db2.gz ZZQAFCGYQNEGQU-GFCCVEGCSA-N 0 1 276.767 2.624 20 30 CFEDMN C#CC[C@H]1CCN(CC(=O)Nc2ccc(CC)cc2)C1 ZINC000886360695 646987198 /nfs/dbraw/zinc/98/71/98/646987198.db2.gz ZVXJCUFEFCURLT-HNNXBMFYSA-N 0 1 270.376 2.533 20 30 CFEDMN C#CC[C@H]1CCN(Cc2ccn(CCc3ccccc3)n2)C1 ZINC000886365465 646988778 /nfs/dbraw/zinc/98/87/78/646988778.db2.gz JCEZKYZASQPFDJ-SFHVURJKSA-N 0 1 293.414 2.971 20 30 CFEDMN C#CCC1(NCc2occc2Br)CCOCC1 ZINC000886381779 646993880 /nfs/dbraw/zinc/99/38/80/646993880.db2.gz RIXHMDFOOAAFQF-UHFFFAOYSA-N 0 1 298.180 2.704 20 30 CFEDMN COc1cc(CN[C@@H]2CCc3cccnc32)ccc1C#N ZINC000886612380 647067183 /nfs/dbraw/zinc/06/71/83/647067183.db2.gz JWWXGKSAOFMMGZ-OAHLLOKOSA-N 0 1 279.343 2.739 20 30 CFEDMN C#CCC1(NC(=O)[C@H]2CCN2C(C)(C)C)CCCCC1 ZINC000886657366 647092593 /nfs/dbraw/zinc/09/25/93/647092593.db2.gz MMEATVKAEXEUMW-CQSZACIVSA-N 0 1 276.424 2.702 20 30 CFEDMN Cc1csc(C[C@H]2CCC[N@H+](CCO[C@H](C)C#N)C2)n1 ZINC000886691760 647113297 /nfs/dbraw/zinc/11/32/97/647113297.db2.gz LSIJRDBHYXQUTR-ZIAGYGMSSA-N 0 1 293.436 2.635 20 30 CFEDMN C=CCC1(O)CCN(Cc2ccc(C#N)s2)CC1 ZINC000886778889 647134193 /nfs/dbraw/zinc/13/41/93/647134193.db2.gz ZKEWPQQRHDVUGZ-UHFFFAOYSA-N 0 1 262.378 2.523 20 30 CFEDMN C[C@@H](c1ccc(C#N)cc1)N1CC[C@@](CO)(C(F)(F)F)C1 ZINC000886799467 647142448 /nfs/dbraw/zinc/14/24/48/647142448.db2.gz RDPXUCVKABMESL-SMDDNHRTSA-N 0 1 298.308 2.866 20 30 CFEDMN CCOC(=O)[C@@]1(F)CN(CCC(C)(C)C#N)C[C@@H]1CC ZINC000886877421 647166708 /nfs/dbraw/zinc/16/67/08/647166708.db2.gz HEGQGVYDVJEGHX-SWLSCSKDSA-N 0 1 284.375 2.539 20 30 CFEDMN C=C(C)CN1CCC[C@H](NC(=O)C2CC(C)(C)C2)C1 ZINC001007263675 651132535 /nfs/dbraw/zinc/13/25/35/651132535.db2.gz JJFPRWZEUGEBDG-AWEZNQCLSA-N 0 1 264.413 2.579 20 30 CFEDMN COCCOc1ncccc1CN[C@@H](C)CC(C)(C)C#N ZINC000924681920 648025445 /nfs/dbraw/zinc/02/54/45/648025445.db2.gz UFHJHYGTAOVDHJ-ZDUSSCGKSA-N 0 1 291.395 2.525 20 30 CFEDMN COC1(OC)CC[C@H]1NCc1ccc(SC)c(C#N)c1 ZINC000926868045 648639333 /nfs/dbraw/zinc/63/93/33/648639333.db2.gz GRNUDZZTOBTXHO-CQSZACIVSA-N 0 1 292.404 2.521 20 30 CFEDMN Cc1ccc(CN[C@H]2CCCc3c[nH]nc32)cc1C#N ZINC000926960673 648671742 /nfs/dbraw/zinc/67/17/42/648671742.db2.gz GIXORDKXOYSANR-HNNXBMFYSA-N 0 1 266.348 2.757 20 30 CFEDMN C#CCC1(C(=O)NCc2cc(N(C)C)ccn2)CCCCC1 ZINC000927699580 648816967 /nfs/dbraw/zinc/81/69/67/648816967.db2.gz XTOVAAMBZMRCNY-UHFFFAOYSA-N 0 1 299.418 2.738 20 30 CFEDMN N#CC(CCc1ccccc1)C(=O)N1CCC[C@H](C#N)C1 ZINC000928219032 648875911 /nfs/dbraw/zinc/87/59/11/648875911.db2.gz NFBHIYIRXTWHTE-CVEARBPZSA-N 0 1 281.359 2.521 20 30 CFEDMN C[C@@H](Cc1cnc[nH]1)C(=O)Nc1ccc(CCC#N)cc1 ZINC000928401519 648906798 /nfs/dbraw/zinc/90/67/98/648906798.db2.gz ZDBKCFGODSZVPJ-LBPRGKRZSA-N 0 1 282.347 2.683 20 30 CFEDMN CCN1CCCC[C@H]1C(=O)Nc1ccc(CCC#N)cc1 ZINC000928405344 648908499 /nfs/dbraw/zinc/90/84/99/648908499.db2.gz ARVUBOMVTRXFBT-INIZCTEOSA-N 0 1 285.391 2.956 20 30 CFEDMN C#CCN1CCC(NC(=O)[C@]2(C)CC[C@H](C)C2(C)C)CC1 ZINC000928649363 648938824 /nfs/dbraw/zinc/93/88/24/648938824.db2.gz IQZXPGWCOSQIKD-KSSFIOAISA-N 0 1 290.451 2.663 20 30 CFEDMN C#CCN1CCC(NC(=O)CCCC2CCCC2)CC1 ZINC000928656101 648938851 /nfs/dbraw/zinc/93/88/51/648938851.db2.gz KVGBZLHJELOCQJ-UHFFFAOYSA-N 0 1 276.424 2.561 20 30 CFEDMN C#CCN1CCC(NC(=O)[C@@H](F)CC2CCCCC2)CC1 ZINC000928653138 648939145 /nfs/dbraw/zinc/93/91/45/648939145.db2.gz AKZNMORPZKKTTH-INIZCTEOSA-N 0 1 294.414 2.509 20 30 CFEDMN C=CCCN(Cc1n[nH]c(CC)n1)OCc1ccccc1 ZINC000187393109 649000425 /nfs/dbraw/zinc/00/04/25/649000425.db2.gz XVTVQWIIUFLNDG-UHFFFAOYSA-N 0 1 286.379 2.877 20 30 CFEDMN N#Cc1cncc(CN2CCCN(c3ccccc3)CC2)c1 ZINC000929314519 649029523 /nfs/dbraw/zinc/02/95/23/649029523.db2.gz BMGUMRQWUCZADI-UHFFFAOYSA-N 0 1 292.386 2.666 20 30 CFEDMN C#CCN(C/C=C(\C)COC)Cc1ccc(F)cc1 ZINC000929363679 649038861 /nfs/dbraw/zinc/03/88/61/649038861.db2.gz SDDOSDKFWNSKMO-NTEUORMPSA-N 0 1 261.340 2.854 20 30 CFEDMN C=C1CCN(C[C@H](O)COc2ccc3cc[nH]c3c2)CC1 ZINC000929604821 649077016 /nfs/dbraw/zinc/07/70/16/649077016.db2.gz SIMPAMRWRAMAEW-HNNXBMFYSA-N 0 1 286.375 2.560 20 30 CFEDMN N#CC1(CCCCN2CCO[C@H]([C@@H]3CCCO3)C2)CCC1 ZINC000929825922 649131979 /nfs/dbraw/zinc/13/19/79/649131979.db2.gz MTVQVIDJULYEEC-HOTGVXAUSA-N 0 1 292.423 2.730 20 30 CFEDMN N#CC1(CCCCN2CCO[C@H]([C@H]3CCCO3)C2)CCC1 ZINC000929825921 649132100 /nfs/dbraw/zinc/13/21/00/649132100.db2.gz MTVQVIDJULYEEC-CVEARBPZSA-N 0 1 292.423 2.730 20 30 CFEDMN N#Cc1cc(Cl)cc(CN2CC[C@@]3(CCOC3)C2)c1 ZINC000929826973 649132980 /nfs/dbraw/zinc/13/29/80/649132980.db2.gz RGVOSGFWFRBBCI-OAHLLOKOSA-N 0 1 276.767 2.824 20 30 CFEDMN CCOC(=O)[C@H](C)N(C)CCCCC1(C#N)CCC1 ZINC000929973660 649158289 /nfs/dbraw/zinc/15/82/89/649158289.db2.gz KTVNATKLEPPKPY-ZDUSSCGKSA-N 0 1 266.385 2.734 20 30 CFEDMN COC(=O)C[C@@H]1CCCN1Cc1cc(Cl)cc(C#N)c1 ZINC000930058220 649174930 /nfs/dbraw/zinc/17/49/30/649174930.db2.gz LQVQFBJDXCPIPM-AWEZNQCLSA-N 0 1 292.766 2.739 20 30 CFEDMN CC(C)[C@H](NC[C@H](O)CC#N)c1ccccc1Cl ZINC000930224576 649209965 /nfs/dbraw/zinc/20/99/65/649209965.db2.gz MOZIZHJMNMSGTQ-RISCZKNCSA-N 0 1 266.772 2.901 20 30 CFEDMN N#CC[C@]1(O)CC[N@@H+](C[C@@H]2CCC3(CCCCCC3)O2)C1 ZINC000930819231 649331276 /nfs/dbraw/zinc/33/12/76/649331276.db2.gz UXCVYYVHYPXKSH-HOTGVXAUSA-N 0 1 292.423 2.609 20 30 CFEDMN N#CC[C@@H](O)CNC1(c2ccccc2Cl)CCC1 ZINC000930842583 649334283 /nfs/dbraw/zinc/33/42/83/649334283.db2.gz GGTUYWWKFVTDRF-LLVKDONJSA-N 0 1 264.756 2.583 20 30 CFEDMN C[C@H](C[N@@H+]1CCC[C@H](CC#N)C1)C(=O)c1ccc([O-])cc1 ZINC000930922641 649350047 /nfs/dbraw/zinc/35/00/47/649350047.db2.gz CYCLVWWTWIXIOW-ZIAGYGMSSA-N 0 1 286.375 2.837 20 30 CFEDMN C[C@H](C[N@H+]1CCC[C@H](CC#N)C1)C(=O)c1ccc([O-])cc1 ZINC000930922641 649350050 /nfs/dbraw/zinc/35/00/50/649350050.db2.gz CYCLVWWTWIXIOW-ZIAGYGMSSA-N 0 1 286.375 2.837 20 30 CFEDMN N#CC1(CCN2CCC[C@H]2c2nnc[nH]2)CCCCC1 ZINC000931140906 649385441 /nfs/dbraw/zinc/38/54/41/649385441.db2.gz AICQVFHUFWSSEK-ZDUSSCGKSA-N 0 1 273.384 2.806 20 30 CFEDMN COC[C@]1(C)CN(CCCCC2(C#N)CCC2)CCO1 ZINC000931338374 649412162 /nfs/dbraw/zinc/41/21/62/649412162.db2.gz RKMISFVURSGCCT-HNNXBMFYSA-N 0 1 280.412 2.588 20 30 CFEDMN COc1ccc(CN2CCC(c3ncco3)CC2)cc1C#N ZINC000931447581 649429436 /nfs/dbraw/zinc/42/94/36/649429436.db2.gz VSQHJRYXVGEUHG-UHFFFAOYSA-N 0 1 297.358 2.934 20 30 CFEDMN N#Cc1ccccc1OCCN1CCC(c2ncco2)CC1 ZINC000931451725 649430244 /nfs/dbraw/zinc/43/02/44/649430244.db2.gz NXYLETBPEVLKGZ-UHFFFAOYSA-N 0 1 297.358 2.805 20 30 CFEDMN CC(C)(C#N)CCCN1CCc2nc[nH]c2C12CCC2 ZINC000931678334 649469625 /nfs/dbraw/zinc/46/96/25/649469625.db2.gz XRFOZEJWCSVJIU-UHFFFAOYSA-N 0 1 272.396 2.977 20 30 CFEDMN Cc1nc([C@@H]2CC[N@H+]([C@@H](C)c3cccc(C#N)c3)C2)no1 ZINC000931936701 649515627 /nfs/dbraw/zinc/51/56/27/649515627.db2.gz FKCCMIUVPUBWAU-XHDPSFHLSA-N 0 1 282.347 2.800 20 30 CFEDMN C[C@H](CC#N)N(C)C(=O)c1ccc(CN2CCCCC2)o1 ZINC000931942016 649517191 /nfs/dbraw/zinc/51/71/91/649517191.db2.gz NINBDQDFSFCCHJ-CYBMUJFWSA-N 0 1 289.379 2.640 20 30 CFEDMN C=CC1(CC(=O)N[C@H]2CCC[N@H+](C)C2)CCCCC1 ZINC000932070339 649531349 /nfs/dbraw/zinc/53/13/49/649531349.db2.gz GYTNITMQZSRBHL-AWEZNQCLSA-N 0 1 264.413 2.723 20 30 CFEDMN Cn1ccc([C@H]2CCCN(CC#Cc3ccc(F)cc3)C2)n1 ZINC000932133795 649547063 /nfs/dbraw/zinc/54/70/63/649547063.db2.gz UODQHAJLVCPQEX-INIZCTEOSA-N 0 1 297.377 2.790 20 30 CFEDMN CC(C)(C)OC[C@H]1CCCN1Cc1ccc(C#N)o1 ZINC000932170015 649558601 /nfs/dbraw/zinc/55/86/01/649558601.db2.gz ZNBZDORGGTUWBT-GFCCVEGCSA-N 0 1 262.353 2.931 20 30 CFEDMN C#CCN(Cc1cncc(C(F)(F)F)c1)C(C)C ZINC000932388079 649591276 /nfs/dbraw/zinc/59/12/76/649591276.db2.gz SZIUDYXDADFXNO-UHFFFAOYSA-N 0 1 256.271 2.944 20 30 CFEDMN C#CCN(Cc1ccc([N+](=O)[O-])c(F)c1)C(C)C ZINC000932388853 649591699 /nfs/dbraw/zinc/59/16/99/649591699.db2.gz YEGMEAFNCYMBHY-UHFFFAOYSA-N 0 1 250.273 2.578 20 30 CFEDMN C#CC[N@H+](Cc1cccc(NC(C)=O)c1)C(C)(C)C ZINC000932463363 649605423 /nfs/dbraw/zinc/60/54/23/649605423.db2.gz FCGNEBXKLCBGCH-UHFFFAOYSA-N 0 1 258.365 2.879 20 30 CFEDMN C#CCN(CC(=O)N([C@H](C)C1CC1)C1CC1)C(C)(C)C ZINC000932464709 649606238 /nfs/dbraw/zinc/60/62/38/649606238.db2.gz TYGCFAUGNCCAOL-CYBMUJFWSA-N 0 1 276.424 2.510 20 30 CFEDMN C=C(C)[C@H](CO)N[C@@H](CC)c1cc(F)ccc1OC ZINC000932476160 649608287 /nfs/dbraw/zinc/60/82/87/649608287.db2.gz YKRKPMYJVCASIU-KBPBESRZSA-N 0 1 267.344 2.812 20 30 CFEDMN N#Cc1cc(CN2CCC(O)(C3CCC3)CC2)ccc1F ZINC000932820814 649646364 /nfs/dbraw/zinc/64/63/64/649646364.db2.gz SCWYQQSNPCBERH-UHFFFAOYSA-N 0 1 288.366 2.824 20 30 CFEDMN Cn1nccc1CN1CCC(c2ccc(C#N)cc2)CC1 ZINC000933606304 649705630 /nfs/dbraw/zinc/70/56/30/649705630.db2.gz IGYBDIFERDVTHM-UHFFFAOYSA-N 0 1 280.375 2.671 20 30 CFEDMN CN(CCn1cc(Cl)cn1)Cc1cc(C#N)cs1 ZINC000933770238 649720742 /nfs/dbraw/zinc/72/07/42/649720742.db2.gz ITWXPHFFFIWLFL-UHFFFAOYSA-N 0 1 280.784 2.602 20 30 CFEDMN N#CCC[C@H](C#N)CN[C@@H]1CCOC12CCCCC2 ZINC000933876954 649728318 /nfs/dbraw/zinc/72/83/18/649728318.db2.gz PLPRTCGHCVYCCN-ZIAGYGMSSA-N 0 1 261.369 2.511 20 30 CFEDMN C=C(CC)C[N@H+]1CCCSC[C@H]1c1cnn(C)c1 ZINC000933976185 649738368 /nfs/dbraw/zinc/73/83/68/649738368.db2.gz NFTNMPYKCKIMSB-AWEZNQCLSA-N 0 1 265.426 2.866 20 30 CFEDMN C=CC[C@@H]1CCN1CC(=O)N(C)[C@@H](C)CC(C)C ZINC000934465306 649789042 /nfs/dbraw/zinc/78/90/42/649789042.db2.gz KOYQYRJSFLCRNL-UONOGXRCSA-N 0 1 252.402 2.530 20 30 CFEDMN C=CC[C@H]1CCN1Cc1cc(F)cc(C(C)=O)c1O ZINC000934465581 649789324 /nfs/dbraw/zinc/78/93/24/649789324.db2.gz MRSFOSORTZRHNH-ZDUSSCGKSA-N 0 1 263.312 2.884 20 30 CFEDMN C=CC[C@H]1CCN1CC(=O)N[C@@H](C)c1ccccc1OC ZINC000934470048 649790601 /nfs/dbraw/zinc/79/06/01/649790601.db2.gz CAIUFBGJOSGPMH-KBPBESRZSA-N 0 1 288.391 2.523 20 30 CFEDMN C=CC[C@H]1CCN1[C@H](C)C(=O)Nc1cccc(C)c1 ZINC000934473226 649791850 /nfs/dbraw/zinc/79/18/50/649791850.db2.gz UXYNWAQLDYCCDY-HIFRSBDPSA-N 0 1 258.365 2.972 20 30 CFEDMN FC(F)(F)c1n[nH]c(=S)n1N=Cc1ccsc1 ZINC000254308564 651086327 /nfs/dbraw/zinc/08/63/27/651086327.db2.gz BLGKXUNQFZOKHG-UHFFFAOYSA-N 0 1 278.284 2.529 20 30 CFEDMN C=C(C)CN1CCC[C@H](NC(=O)c2cccs2)C1 ZINC001006627884 651127337 /nfs/dbraw/zinc/12/73/37/651127337.db2.gz XZFIIRNSKLGIEU-LBPRGKRZSA-N 0 1 264.394 2.518 20 30 CFEDMN C=C(C)CN1CCC[C@H](NC(=O)c2cccc(C)c2F)C1 ZINC001007384474 651133668 /nfs/dbraw/zinc/13/36/68/651133668.db2.gz BSKUIXOXGYJWAY-AWEZNQCLSA-N 0 1 290.382 2.904 20 30 CFEDMN C=C(C)CN1CCC[C@@H](NC(=O)c2cccc(F)c2C)C1 ZINC001007388207 651134212 /nfs/dbraw/zinc/13/42/12/651134212.db2.gz SCGCRZXSTQPLLK-CQSZACIVSA-N 0 1 290.382 2.904 20 30 CFEDMN C=CCN1CCC[C@@H](NC(=O)Cc2c(C)cccc2C)C1 ZINC001007434748 651135137 /nfs/dbraw/zinc/13/51/37/651135137.db2.gz VYATXVYKBWPGCB-MRXNPFEDSA-N 0 1 286.419 2.613 20 30 CFEDMN C=C(C)CN1CCC[C@@H](NC(=O)[C@@H](C)C2CCC2)C1 ZINC001007595558 651137248 /nfs/dbraw/zinc/13/72/48/651137248.db2.gz LEKQGUBFAAIGPD-DZGCQCFKSA-N 0 1 264.413 2.579 20 30 CFEDMN C=C(C)CN1CCC[C@H](NC(=O)[C@H]2CC[C@@H]3C[C@@H]3CC2)C1 ZINC001008032701 651141154 /nfs/dbraw/zinc/14/11/54/651141154.db2.gz PELWRBSKPRMMME-YVSFHVDLSA-N 0 1 290.451 2.969 20 30 CFEDMN C=C(C)CN1CCC[C@H](NC(=O)[C@]2(C)C[C@H]3C[C@H]3C2)C1 ZINC001008046905 651141500 /nfs/dbraw/zinc/14/15/00/651141500.db2.gz OEQURMJMWPVZRQ-IVSAIRAKSA-N 0 1 276.424 2.579 20 30 CFEDMN C#CCCN1CCC[C@@H](NC(=O)c2occc2C(C)C)C1 ZINC001008291716 651146412 /nfs/dbraw/zinc/14/64/12/651146412.db2.gz KHGAMXMADMJUOI-CQSZACIVSA-N 0 1 288.391 2.621 20 30 CFEDMN C#CCCN1CCC[C@H](NC(=O)c2occc2C(C)C)C1 ZINC001008291714 651146456 /nfs/dbraw/zinc/14/64/56/651146456.db2.gz KHGAMXMADMJUOI-AWEZNQCLSA-N 0 1 288.391 2.621 20 30 CFEDMN C=CCN1CCC[C@@H](NC(=O)C(C2CCC2)C2CCC2)C1 ZINC001008324750 651146467 /nfs/dbraw/zinc/14/64/67/651146467.db2.gz XQRXJLIZWOEOIL-MRXNPFEDSA-N 0 1 290.451 2.969 20 30 CFEDMN C=C(C)CN1CCC[C@@H](NC(=O)c2ccoc2C2CC2)C1 ZINC001008316513 651146505 /nfs/dbraw/zinc/14/65/05/651146505.db2.gz IWTWPRMULOHJKJ-CQSZACIVSA-N 0 1 288.391 2.927 20 30 CFEDMN C=C(C)CN1CCC[C@@H](NC(=O)c2cc(C)cc(F)c2)C1 ZINC001008622868 651151448 /nfs/dbraw/zinc/15/14/48/651151448.db2.gz QTUFEHDSMSPLRN-MRXNPFEDSA-N 0 1 290.382 2.904 20 30 CFEDMN C=C(C)CN1CCC[C@@H](NC(=O)[C@@H](C)c2ccc(C)o2)C1 ZINC001008788346 651153570 /nfs/dbraw/zinc/15/35/70/651153570.db2.gz HJWUZSGADVHLMJ-LSDHHAIUSA-N 0 1 290.407 2.848 20 30 CFEDMN C=CCN1CCC[C@@H](NC(=O)Cc2ccc(Cl)s2)C1 ZINC001008803108 651154051 /nfs/dbraw/zinc/15/40/51/651154051.db2.gz ZHWOMGMSLNECBT-LLVKDONJSA-N 0 1 298.839 2.711 20 30 CFEDMN C=C(C)CN1CCC[C@H](NC(=O)c2ncoc2C(C)C)C1 ZINC001009117969 651155961 /nfs/dbraw/zinc/15/59/61/651155961.db2.gz SCXNRNZTZZOEKB-ZDUSSCGKSA-N 0 1 291.395 2.568 20 30 CFEDMN C=CCN1CCC[C@H](NC(=O)Cc2ccc(Cl)cc2)C1 ZINC001009384433 651160182 /nfs/dbraw/zinc/16/01/82/651160182.db2.gz VXSSIJUBUFIWLM-HNNXBMFYSA-N 0 1 292.810 2.649 20 30 CFEDMN C=C(C)CN1CCC[C@@H](NC(=O)c2ccc3c(c2)CCC3)C1 ZINC001009457631 651160950 /nfs/dbraw/zinc/16/09/50/651160950.db2.gz JHLNLTYZCYZYMT-GOSISDBHSA-N 0 1 298.430 2.946 20 30 CFEDMN C=CCN1CCC[C@H](NC(=O)[C@H](C)c2cccc(F)c2)C1 ZINC001009587350 651161770 /nfs/dbraw/zinc/16/17/70/651161770.db2.gz NDASUDJRNYWKRV-CJNGLKHVSA-N 0 1 290.382 2.696 20 30 CFEDMN C=CCN1CCC[C@@H](NC(=O)c2ccc(C)c3c2CCC3)C1 ZINC001009656332 651163566 /nfs/dbraw/zinc/16/35/66/651163566.db2.gz HBMHPWGJWLXIEQ-OAHLLOKOSA-N 0 1 298.430 2.864 20 30 CFEDMN C=CCN1CC[C@@H](NC(=O)c2nc3ccccc3cc2C)C1 ZINC001015321787 651198445 /nfs/dbraw/zinc/19/84/45/651198445.db2.gz SYKXVAOVKJTWCK-OAHLLOKOSA-N 0 1 295.386 2.533 20 30 CFEDMN C=CCN1CC[C@@H](NC(=O)c2csc3ccccc23)C1 ZINC001015429309 651201060 /nfs/dbraw/zinc/20/10/60/651201060.db2.gz HWVFLGKVNBMRTM-GFCCVEGCSA-N 0 1 286.400 2.891 20 30 CFEDMN C=C(C)CN1CC[C@@H](NC(=O)c2csc(C(C)C)n2)C1 ZINC001015856984 651216158 /nfs/dbraw/zinc/21/61/58/651216158.db2.gz BABIIKWOECNEME-GFCCVEGCSA-N 0 1 293.436 2.647 20 30 CFEDMN C=CCN1CC[C@@H](NC(=O)c2ccc3nc(C)ccc3c2)C1 ZINC001015882945 651217231 /nfs/dbraw/zinc/21/72/31/651217231.db2.gz ABBKOQSMQPGXTI-MRXNPFEDSA-N 0 1 295.386 2.533 20 30 CFEDMN C=CCN1CC[C@@H](NC(=O)c2ccc(C(F)F)cc2F)C1 ZINC001015899029 651217322 /nfs/dbraw/zinc/21/73/22/651217322.db2.gz LAUYVXIASCGDKD-LLVKDONJSA-N 0 1 298.308 2.753 20 30 CFEDMN C=CCN1CC[C@@H](NC(=O)C[C@H]2CCCC(C)(C)C2)C1 ZINC001015995581 651220102 /nfs/dbraw/zinc/22/01/02/651220102.db2.gz WQKBEXZGMQHMEA-HUUCEWRRSA-N 0 1 278.440 2.969 20 30 CFEDMN C=CCN1CC[C@H](NC(=O)[C@H]2CC[C@H](CC)CC2)C1 ZINC001016039072 651221764 /nfs/dbraw/zinc/22/17/64/651221764.db2.gz CFZYMFHPWPWPRK-KKUMJFAQSA-N 0 1 264.413 2.579 20 30 CFEDMN C=CCN1CC[C@H](NC(=O)c2ccc(Cl)cc2Cl)C1 ZINC001016075654 651223321 /nfs/dbraw/zinc/22/33/21/651223321.db2.gz UUIBITBNUZFLNO-NSHDSACASA-N 0 1 299.201 2.984 20 30 CFEDMN C=CCN1CC[C@@H](NC(=O)c2ccc(C(C)C)cc2)C1 ZINC001016075841 651223415 /nfs/dbraw/zinc/22/34/15/651223415.db2.gz AQTKYPJOYMXQAE-MRXNPFEDSA-N 0 1 272.392 2.800 20 30 CFEDMN C=C(C)CN1CC[C@@H](NC(=O)c2cc3[nH]ccc3s2)C1 ZINC001016106444 651225020 /nfs/dbraw/zinc/22/50/20/651225020.db2.gz YPLOCWIJJSNQKA-LLVKDONJSA-N 0 1 289.404 2.610 20 30 CFEDMN C=CCN1CC[C@H](NC(=O)c2c(CC)oc3ccccc32)C1 ZINC001016344000 651230767 /nfs/dbraw/zinc/23/07/67/651230767.db2.gz BEEYSBGBIIHZCN-ZDUSSCGKSA-N 0 1 298.386 2.985 20 30 CFEDMN C=CCN1CC[C@H](NC(=O)[C@@H]2CCCCC2(C)C)C1 ZINC001016361329 651231222 /nfs/dbraw/zinc/23/12/22/651231222.db2.gz YNCAOTMJXRSOFO-KBPBESRZSA-N 0 1 264.413 2.579 20 30 CFEDMN C#CCCN1CC[C@H](NC(=O)c2ccc(C(C)C)s2)C1 ZINC001016364762 651231685 /nfs/dbraw/zinc/23/16/85/651231685.db2.gz WSKFBFNYJYKPHH-ZDUSSCGKSA-N 0 1 290.432 2.699 20 30 CFEDMN C=C1CCC(C(=O)N[C@H]2CC23CCN(CCF)CC3)CC1 ZINC001016808587 651240793 /nfs/dbraw/zinc/24/07/93/651240793.db2.gz XJUUZJGNGUBARR-HNNXBMFYSA-N 0 1 294.414 2.673 20 30 CFEDMN CCC(=O)N1CCC[C@H](CN(C)Cc2ccccc2C#N)C1 ZINC001017012282 651243671 /nfs/dbraw/zinc/24/36/71/651243671.db2.gz SJVLZADLZOWRNS-OAHLLOKOSA-N 0 1 299.418 2.639 20 30 CFEDMN C=CCCN1C[C@H]2CC[C@@H](C1)N2C(=O)c1sccc1C ZINC001017310396 651249709 /nfs/dbraw/zinc/24/97/09/651249709.db2.gz ZBMVQFNPGBLBKX-OKILXGFUSA-N 0 1 290.432 2.921 20 30 CFEDMN C=CCCN1C[C@H]2CC[C@@H](C1)N2C(=O)c1cc(CC)ccn1 ZINC001017582168 651254481 /nfs/dbraw/zinc/25/44/81/651254481.db2.gz IKZTVOWKBDWHPS-IYBDPMFKSA-N 0 1 299.418 2.509 20 30 CFEDMN C=CCCN1C[C@H]2CC[C@@H](C1)N2C(=O)C1(CC)CCC1 ZINC001017823366 651259039 /nfs/dbraw/zinc/25/90/39/651259039.db2.gz XPNJUXGRJDNPII-GASCZTMLSA-N 0 1 276.424 2.818 20 30 CFEDMN C=CCCN1C[C@H]2CC[C@@H](C1)N2C(=O)C1(C)CC=CC1 ZINC001017890632 651260854 /nfs/dbraw/zinc/26/08/54/651260854.db2.gz IJLAIQWQXNXDRK-GASCZTMLSA-N 0 1 274.408 2.594 20 30 CFEDMN C=CCCN1C[C@H]2CC[C@@H](C1)N2C(=O)[C@]12C[C@H]1CCCC2 ZINC001017923559 651262166 /nfs/dbraw/zinc/26/21/66/651262166.db2.gz RKRIIYRDZDDWAN-XLMAVXFVSA-N 0 1 288.435 2.818 20 30 CFEDMN C=C(Cl)CN[C@H]1CCN(C(=O)[C@@H]2CC[C@@H]3C[C@@H]3CC2)C1 ZINC001019178076 651280560 /nfs/dbraw/zinc/28/05/60/651280560.db2.gz UATBQZGVGJYJCF-XQLPTFJDSA-N 0 1 296.842 2.756 20 30 CFEDMN C=C(Cl)CN[C@H]1CCN(C(=O)C2(F)CCCCC2)C1 ZINC001019605456 651288120 /nfs/dbraw/zinc/28/81/20/651288120.db2.gz CDYLQPSZUQTRGD-LBPRGKRZSA-N 0 1 288.794 2.602 20 30 CFEDMN C=C(Cl)CN[C@H]1CCN(C(=O)C23CCC(CC2)CC3)C1 ZINC001019802448 651291808 /nfs/dbraw/zinc/29/18/08/651291808.db2.gz ANRJSRUHZXCCHD-BBBYJDLNSA-N 0 1 296.842 2.900 20 30 CFEDMN CCCCCCC(=O)C(C#N)C(=O)NC1CCCC1 ZINC000119826605 651300817 /nfs/dbraw/zinc/30/08/17/651300817.db2.gz LCCQFFYUQBBDEI-ZDUSSCGKSA-N 0 1 264.369 2.724 20 30 CFEDMN C=C(C)CN1CC[C@H]1CN(C)C(=O)c1ccc(C2CC2)cn1 ZINC001085951328 782213353 /nfs/dbraw/zinc/21/33/53/782213353.db2.gz DDKSESPBSQFSGU-INIZCTEOSA-N 0 1 299.418 2.681 20 30 CFEDMN C=C(C)CN1CC[C@H]1CN(C)C(=O)c1ccc(CF)cc1 ZINC001085993508 782231352 /nfs/dbraw/zinc/23/13/52/782231352.db2.gz MZVPGQOUKFGTTD-INIZCTEOSA-N 0 1 290.382 2.879 20 30 CFEDMN C#CCCN1CC[C@@H]1CN(C)C(=O)[C@H]1CCCC(C)(C)C1 ZINC001085992491 782228923 /nfs/dbraw/zinc/22/89/23/782228923.db2.gz LHCDPYUZBQDTGC-JKSUJKDBSA-N 0 1 290.451 2.759 20 30 CFEDMN C=C(C)CN1CC[C@H]1CN(C)C(=O)c1c(C)cccc1F ZINC001086001558 782235748 /nfs/dbraw/zinc/23/57/48/782235748.db2.gz KDHLGHHTUWUEBD-AWEZNQCLSA-N 0 1 290.382 2.857 20 30 CFEDMN COc1cc(C#N)cnc1-c1c(F)cc(O)cc1F ZINC001241117549 782251915 /nfs/dbraw/zinc/25/19/15/782251915.db2.gz RSBJEXPUHVFXFH-UHFFFAOYSA-N 0 1 262.215 2.613 20 30 CFEDMN C=C(C)CCC(=O)N(CC)CCNCc1cc(C)ns1 ZINC001273404882 782278380 /nfs/dbraw/zinc/27/83/80/782278380.db2.gz OWHWWSASKBKBJD-UHFFFAOYSA-N 0 1 295.452 2.746 20 30 CFEDMN COc1cc(-c2ccc(Cl)c(O)c2)ncc1C#N ZINC001243577116 782287378 /nfs/dbraw/zinc/28/73/78/782287378.db2.gz UDFWRCRCYOFYQY-UHFFFAOYSA-N 0 1 260.680 2.988 20 30 CFEDMN C#CCN1CC[C@H](NC(=O)c2cc(C)ccc2C)[C@H]1CC ZINC001087808885 777702988 /nfs/dbraw/zinc/70/29/88/777702988.db2.gz OEPLYUCMUBEHAV-DLBZAZTESA-N 0 1 284.403 2.519 20 30 CFEDMN C#CCN1CC[C@H](NC(=O)c2cc(C)cc(C)c2)[C@H]1CC ZINC001087809368 777703796 /nfs/dbraw/zinc/70/37/96/777703796.db2.gz OEKQQHWXDFWJFV-DLBZAZTESA-N 0 1 284.403 2.519 20 30 CFEDMN C#CCN1CC[C@H](NC(=O)c2ccoc2C(C)C)[C@H]1CC ZINC001087844241 777719186 /nfs/dbraw/zinc/71/91/86/777719186.db2.gz OHYIUZHTTAYURG-LSDHHAIUSA-N 0 1 288.391 2.619 20 30 CFEDMN C=CCN(CC=C)Cc1c[nH]c(Br)c1 ZINC001233436864 777950556 /nfs/dbraw/zinc/95/05/56/777950556.db2.gz BJMBONBOTHIQBC-UHFFFAOYSA-N 0 1 255.159 2.951 20 30 CFEDMN C=CCN1CC[C@@H](N(C)C(=O)c2cc(C)c(CC)s2)C1 ZINC001033644153 780741779 /nfs/dbraw/zinc/74/17/79/780741779.db2.gz IQNZWFAAHDYYAE-CYBMUJFWSA-N 0 1 292.448 2.951 20 30 CFEDMN C=CCN1CC[C@H](N(C)C(=O)c2cc(C)c(C)s2)C1 ZINC001033643479 780741943 /nfs/dbraw/zinc/74/19/43/780741943.db2.gz YZHXFPFZOXZAIR-ZDUSSCGKSA-N 0 1 278.421 2.697 20 30 CFEDMN C#CCN1CC[C@H](N(CC)C(=O)[C@H]2CCCCC2(C)C)C1 ZINC001034050417 780867717 /nfs/dbraw/zinc/86/77/17/780867717.db2.gz LTGSZXBIUSPONA-JKSUJKDBSA-N 0 1 290.451 2.759 20 30 CFEDMN C=CCN1CCCC[C@H](NC(=O)c2cccnc2C2CC2)C1 ZINC001034288082 780939058 /nfs/dbraw/zinc/93/90/58/780939058.db2.gz DRVAGIGDFIPDOH-HNNXBMFYSA-N 0 1 299.418 2.729 20 30 CFEDMN C=CCCC(=O)N[C@@H]1CCN(CCCCC(F)(F)F)C1 ZINC001266308649 769949172 /nfs/dbraw/zinc/94/91/72/769949172.db2.gz ZOBBVGLAEBXCQY-GFCCVEGCSA-N 0 1 292.345 2.876 20 30 CFEDMN C=C[C@H](CC)CC(=O)NCCN(C)Cc1ccc(C#N)cc1 ZINC001266312097 769949228 /nfs/dbraw/zinc/94/92/28/769949228.db2.gz RKYLGHFLZFCKIJ-OAHLLOKOSA-N 0 1 299.418 2.709 20 30 CFEDMN C=C(C)C(C)(C)C(=O)NC[C@@H](C)N(C)Cc1ccccn1 ZINC001282444975 769958336 /nfs/dbraw/zinc/95/83/36/769958336.db2.gz XWJYZYNZDPHSJM-CQSZACIVSA-N 0 1 289.423 2.620 20 30 CFEDMN C=C[C@H](CC)CC(=O)NC[C@@H](C)N(C)CCC(F)(F)F ZINC001282449219 769965886 /nfs/dbraw/zinc/96/58/86/769965886.db2.gz IMHVGLYPUDMZLR-VXGBXAGGSA-N 0 1 294.361 2.978 20 30 CFEDMN C=CCN1CC[C@H](NC(=O)C/C=C/Cc2ccccc2)C1 ZINC001266325168 769966561 /nfs/dbraw/zinc/96/65/61/769966561.db2.gz KWHKYMKPLAPDMB-LXXRFIIISA-N 0 1 284.403 2.552 20 30 CFEDMN CC#CCN(C)CCNC(=O)CC[C@H](C)c1ccccc1 ZINC001266332279 769973901 /nfs/dbraw/zinc/97/39/01/769973901.db2.gz JGPYUWQSDJMDDF-INIZCTEOSA-N 0 1 286.419 2.642 20 30 CFEDMN CC#CCN(C)[C@H](C)CNC(=O)c1cccc(C(F)F)c1 ZINC001282484409 769984980 /nfs/dbraw/zinc/98/49/80/769984980.db2.gz DHBMBJXTBOZYFB-GFCCVEGCSA-N 0 1 294.345 2.698 20 30 CFEDMN N#C[C@H]1CN(CCc2ccc(C(F)(F)F)cc2)CCC1=O ZINC001209126290 770000298 /nfs/dbraw/zinc/00/02/98/770000298.db2.gz RGHYCEAUMTZCTC-LBPRGKRZSA-N 0 1 296.292 2.662 20 30 CFEDMN C=C(C)CN1CC[C@H](NC(=O)C(C)(C)CC(F)(F)F)C1 ZINC001266349694 770003551 /nfs/dbraw/zinc/00/35/51/770003551.db2.gz LCWFTMOUIPPESE-NSHDSACASA-N 0 1 292.345 2.732 20 30 CFEDMN C=CCCCN1CCN(C(=O)OC(C)(C)C)C[C@H]1COC ZINC001209156535 770006560 /nfs/dbraw/zinc/00/65/60/770006560.db2.gz BXLRQCUTSVDILT-AWEZNQCLSA-N 0 1 298.427 2.520 20 30 CFEDMN CC#CCN1CC[C@@H](NC(=O)[C@H](CCCC)C(C)C)C1 ZINC001266361578 770020760 /nfs/dbraw/zinc/02/07/60/770020760.db2.gz OUIYDVMQMCOINQ-HZPDHXFCSA-N 0 1 278.440 2.663 20 30 CFEDMN CC#CCN(C)CCNC(=O)[C@H](CCC)CC(C)C ZINC001266364752 770031292 /nfs/dbraw/zinc/03/12/92/770031292.db2.gz ADDOUJJBEDURCK-OAHLLOKOSA-N 0 1 266.429 2.520 20 30 CFEDMN C=CCCCCCN1CCN(c2nccc(C)n2)CC1 ZINC001209432798 770086666 /nfs/dbraw/zinc/08/66/66/770086666.db2.gz JVNZQAJQPNYDMB-UHFFFAOYSA-N 0 1 274.412 2.653 20 30 CFEDMN C=CCCCCCCCN1CC(N(C)C(C)=O)C1 ZINC001209439787 770090629 /nfs/dbraw/zinc/09/06/29/770090629.db2.gz ZDPNEPAQTIWLRB-UHFFFAOYSA-N 0 1 252.402 2.676 20 30 CFEDMN C#CCN(CC)CCNC(=O)c1cccc(Cl)c1Cl ZINC001266431273 770137073 /nfs/dbraw/zinc/13/70/73/770137073.db2.gz CQSDXEIEPGOKOC-UHFFFAOYSA-N 0 1 299.201 2.678 20 30 CFEDMN CC#CCN(CC)CCNC(=O)c1cc(C)c(F)c(C)c1 ZINC001266437945 770149393 /nfs/dbraw/zinc/14/93/93/770149393.db2.gz RSJTWWOIQFYKPT-UHFFFAOYSA-N 0 1 290.382 2.518 20 30 CFEDMN C=C(Cl)CN[C@H](CNC(=O)C1CCC=CCC1)C1CC1 ZINC001266442500 770160816 /nfs/dbraw/zinc/16/08/16/770160816.db2.gz YDXKIGSVMLNTHG-OAHLLOKOSA-N 0 1 296.842 2.970 20 30 CFEDMN CC(=O)c1ccc(Nc2cnc(N)cc2C)c(C#N)c1 ZINC001209968457 770176213 /nfs/dbraw/zinc/17/62/13/770176213.db2.gz ACMXYLAWNIOFMT-UHFFFAOYSA-N 0 1 266.304 2.790 20 30 CFEDMN C#CCN1CCC[C@@H]1CNC(=O)C[C@H](C)C1CCCCC1 ZINC001266485780 770201562 /nfs/dbraw/zinc/20/15/62/770201562.db2.gz JDZGRWBJAXMUJL-DOTOQJQBSA-N 0 1 290.451 2.807 20 30 CFEDMN C=C1CCC(CNCc2nn(C)cc2Cl)CC1 ZINC000724549855 770208983 /nfs/dbraw/zinc/20/89/83/770208983.db2.gz LOIRYGVELIFXMY-UHFFFAOYSA-N 0 1 253.777 2.910 20 30 CFEDMN C#CCN1CCN(Cc2ccc3cc(OC)ccc3c2)CC1 ZINC001204516404 770340652 /nfs/dbraw/zinc/34/06/52/770340652.db2.gz BTVDGBOVNJOCEE-UHFFFAOYSA-N 0 1 294.398 2.599 20 30 CFEDMN C[C@@H]1CC(=O)C=C(N=c2cc(Cl)[nH]cc2O)C1 ZINC001210771258 770362062 /nfs/dbraw/zinc/36/20/62/770362062.db2.gz MDUFVLUCJOPJOH-ZETCQYMHSA-N 0 1 252.701 2.735 20 30 CFEDMN CC#CCN(CCNC(=O)C1(C)CCCCCC1)C1CC1 ZINC001266594733 770396311 /nfs/dbraw/zinc/39/63/11/770396311.db2.gz QJOTXGCYTNGQEK-UHFFFAOYSA-N 0 1 290.451 2.951 20 30 CFEDMN CCCO[C@@H]1CCN(Cc2ccc(C#N)c(F)c2)C1 ZINC000706554859 770409041 /nfs/dbraw/zinc/40/90/41/770409041.db2.gz HYEPLYWEHNIIKS-CQSZACIVSA-N 0 1 262.328 2.698 20 30 CFEDMN Cc1noc(Nc2cc(Br)cnc2F)c1C#N ZINC001211264137 770472126 /nfs/dbraw/zinc/47/21/26/770472126.db2.gz CLEMZBOZBSNVCR-UHFFFAOYSA-N 0 1 297.087 2.895 20 30 CFEDMN COc1ncc(-c2cc(F)c(O)cc2F)cc1C#N ZINC001211339367 770486107 /nfs/dbraw/zinc/48/61/07/770486107.db2.gz NKECXKBIAAPDNC-UHFFFAOYSA-N 0 1 262.215 2.613 20 30 CFEDMN CC#CCN1CC=C(CNC(=O)[C@H](CC)CCCC)CC1 ZINC001279492123 770562139 /nfs/dbraw/zinc/56/21/39/770562139.db2.gz GEISRFUEOXPOFW-QGZVFWFLSA-N 0 1 290.451 2.974 20 30 CFEDMN CC#CCN1CC[C@H]2CC[C@@H](C1)N2C(=O)[C@H](C)C(C)(C)C ZINC001039395156 770563807 /nfs/dbraw/zinc/56/38/07/770563807.db2.gz XVGVEPPZRIQRLR-XHSDSOJGSA-N 0 1 290.451 2.757 20 30 CFEDMN C=CCSCCNCc1ccsc1C(=O)OC ZINC000383291363 770629346 /nfs/dbraw/zinc/62/93/46/770629346.db2.gz KEWZLWOOUIDFFS-UHFFFAOYSA-N 0 1 271.407 2.544 20 30 CFEDMN CC/C=C(\C)C(=O)N1CC[C@H](NCc2ccccc2C#N)C1 ZINC001267005647 770800506 /nfs/dbraw/zinc/80/05/06/770800506.db2.gz OZRHIEIZAPZEDY-ZZZKQGFOSA-N 0 1 297.402 2.605 20 30 CFEDMN N#CCC(=O)N=c1sccn1Cc1ccccc1Cl ZINC000588501067 770882368 /nfs/dbraw/zinc/88/23/68/770882368.db2.gz CDHJYSVRJIEVFT-UHFFFAOYSA-N 0 1 291.763 2.592 20 30 CFEDMN CC#CCN(C)CCNC(=O)c1cc(C)c(C)cc1Cl ZINC001267210878 773213006 /nfs/dbraw/zinc/21/30/06/773213006.db2.gz PDZXTPKTQMTWQG-UHFFFAOYSA-N 0 1 292.810 2.642 20 30 CFEDMN CC#CCN(CC)CCNC(=O)c1cc2cc(C)ccc2[nH]1 ZINC001267247303 773257688 /nfs/dbraw/zinc/25/76/88/773257688.db2.gz HTLQCCABJAIRAO-UHFFFAOYSA-N 0 1 297.402 2.551 20 30 CFEDMN CC#CCO[C@H]1CCN(Cc2ccc(Cl)cc2)C1 ZINC001224358730 775166681 /nfs/dbraw/zinc/16/66/81/775166681.db2.gz LARNTTQKGPHFJQ-HNNXBMFYSA-N 0 1 263.768 2.954 20 30 CFEDMN C=CCCCN1CC[C@H]1CNC(=O)c1sc(C)nc1C ZINC001276970331 775179181 /nfs/dbraw/zinc/17/91/81/775179181.db2.gz PGZRCZJXMJFSHX-ZDUSSCGKSA-N 0 1 293.436 2.530 20 30 CFEDMN C=C(Cl)CN[C@@H]1CCCN(C(=O)CCCC)C1 ZINC001207374730 775214504 /nfs/dbraw/zinc/21/45/04/775214504.db2.gz VERWRSYCWMKAEY-GFCCVEGCSA-N 0 1 258.793 2.510 20 30 CFEDMN CN(CCNCc1ccccc1C#N)C(=O)CC1CCCC1 ZINC001267341779 775227680 /nfs/dbraw/zinc/22/76/80/775227680.db2.gz HWSWEJJYJQERHO-UHFFFAOYSA-N 0 1 299.418 2.687 20 30 CFEDMN C=CCC[N@@H+]1CC[C@@H]1CNC(=O)C1(c2ccccc2C)CC1 ZINC001276985869 775229323 /nfs/dbraw/zinc/22/93/23/775229323.db2.gz KMKNMHVIOSOECK-MRXNPFEDSA-N 0 1 298.430 2.793 20 30 CFEDMN C=C(Cl)CNCCN(C)C(=O)c1sccc1Cl ZINC001267375406 775277246 /nfs/dbraw/zinc/27/72/46/775277246.db2.gz HGZUNQXXNZQWFO-UHFFFAOYSA-N 0 1 293.219 2.816 20 30 CFEDMN C=CCCC(=O)N1C[C@H]2CC[C@@H](C1)N2Cc1ccccc1 ZINC001267397026 775313447 /nfs/dbraw/zinc/31/34/47/775313447.db2.gz IXPJNEBUSDRJPX-CALCHBBNSA-N 0 1 284.403 2.828 20 30 CFEDMN C=C[C@@H](CC)CC(=O)N(C)CCNCC=C(Cl)Cl ZINC001267416436 775318890 /nfs/dbraw/zinc/31/88/90/775318890.db2.gz QIVNQFAOKSNFFE-NSHDSACASA-N 0 1 293.238 2.956 20 30 CFEDMN C=C1O[C@H](C)C(=O)C1OCCCCCCCCCO ZINC001217862410 775339665 /nfs/dbraw/zinc/33/96/65/775339665.db2.gz ORJPHSYHCGZZFY-GFCCVEGCSA-N 0 1 270.369 2.945 20 30 CFEDMN C=CCCC(=O)NCC1(NCc2ccc(F)cc2F)CC1 ZINC001277013378 775346491 /nfs/dbraw/zinc/34/64/91/775346491.db2.gz LKGMMQOONZWOLG-UHFFFAOYSA-N 0 1 294.345 2.669 20 30 CFEDMN CC#CCN[C@@H](CNC(=O)C(CC)CC)c1ccccc1 ZINC001267516538 775409613 /nfs/dbraw/zinc/40/96/13/775409613.db2.gz FLDYXOPDUSCTMM-KRWDZBQOSA-N 0 1 286.419 2.893 20 30 CFEDMN C#CCN[C@@H](CNC(=O)C1=CCCCCC1)c1ccccc1 ZINC001267518978 775413547 /nfs/dbraw/zinc/41/35/47/775413547.db2.gz CSGPEMXMHXHQGG-SFHVURJKSA-N 0 1 296.414 2.957 20 30 CFEDMN CC#CCN[C@@H](CNC(=O)[C@@H]1C[C@H]1CCC)c1ccccc1 ZINC001267522214 775418277 /nfs/dbraw/zinc/41/82/77/775418277.db2.gz AGVGPRJHLCBRBG-KURKYZTESA-N 0 1 298.430 2.893 20 30 CFEDMN C=C(Cl)CNC1(CNC(=O)C(C)=C2CCCC2)CC1 ZINC001277037625 775430815 /nfs/dbraw/zinc/43/08/15/775430815.db2.gz YHCNHYVYIHEOEP-UHFFFAOYSA-N 0 1 282.815 2.868 20 30 CFEDMN C=C1O[C@H](CC)C(=O)C1Oc1cc2c(c(F)c1)C(=O)CC2 ZINC001225372916 775434046 /nfs/dbraw/zinc/43/40/46/775434046.db2.gz ZVNJBDNTCPWPOG-CYBMUJFWSA-N 0 1 290.290 2.943 20 30 CFEDMN CC#CCN1CC[C@@H](N(CCC)C(=O)C[C@H]2C=CCC2)C1 ZINC001267539769 775447854 /nfs/dbraw/zinc/44/78/54/775447854.db2.gz QCEAVSVTAVRHCO-DLBZAZTESA-N 0 1 288.435 2.679 20 30 CFEDMN C=CCCC(=O)NCC[C@H]1CCN(CC(=C)Cl)C1 ZINC001267555383 775464434 /nfs/dbraw/zinc/46/44/34/775464434.db2.gz MOTAKJZJYMNZFX-ZDUSSCGKSA-N 0 1 270.804 2.533 20 30 CFEDMN N#Cc1ccc(O[C@@H]2CCC[N@@H+](Cc3ccccc3)C2)cn1 ZINC001225497402 775481679 /nfs/dbraw/zinc/48/16/79/775481679.db2.gz DYCQUXPDJGAOLD-GOSISDBHSA-N 0 1 293.370 2.997 20 30 CFEDMN C#CCN(C)Cc1cc(C)cc(OC(F)(F)F)c1 ZINC001143468724 775502442 /nfs/dbraw/zinc/50/24/42/775502442.db2.gz KJKUKVSKRTWFQH-UHFFFAOYSA-N 0 1 257.255 2.959 20 30 CFEDMN C[C@H](c1ccccn1)N1CC[C@@H](Oc2cccnc2C#N)C1 ZINC001225672849 775551763 /nfs/dbraw/zinc/55/17/63/775551763.db2.gz IMLZLVNCAPLJFV-ZIAGYGMSSA-N 0 1 294.358 2.563 20 30 CFEDMN CCN1CC[C@H](Oc2ccc(C#N)cc2Cl)C1 ZINC001225726146 775574252 /nfs/dbraw/zinc/57/42/52/775574252.db2.gz AVWZNMUVQKQPMP-NSHDSACASA-N 0 1 250.729 2.685 20 30 CFEDMN C=C1O[C@@H](CC)C(=O)C1Oc1ccc(OC)c(F)c1F ZINC001225958614 775647685 /nfs/dbraw/zinc/64/76/85/775647685.db2.gz ZOLUQLDIDCXDHK-QMMMGPOBSA-N 0 1 284.258 2.962 20 30 CFEDMN C#C[C@H](CCCC)Oc1nc(C(F)(F)F)cc(=O)[nH]1 ZINC001225977054 775654882 /nfs/dbraw/zinc/65/48/82/775654882.db2.gz DTLIGNZVPYXOBE-MRVPVSSYSA-N 0 1 274.242 2.772 20 30 CFEDMN C=C1CCC(C(=O)N[C@H](C)[C@H]2CCCN(CCF)C2)CC1 ZINC001025525133 775690094 /nfs/dbraw/zinc/69/00/94/775690094.db2.gz YGTQLKKRFLETLE-ZBFHGGJFSA-N 0 1 296.430 2.919 20 30 CFEDMN C=C1CC(C)(C(=O)N2C[C@H]3CCC[C@@H](C2)N3CCCF)C1 ZINC001039905935 775691467 /nfs/dbraw/zinc/69/14/67/775691467.db2.gz BRDWMZYAUGBSAM-GASCZTMLSA-N 0 1 294.414 2.768 20 30 CFEDMN C=CCN1CCC[C@@H](NC(=O)C[C@H](CC)C(C)C)C1 ZINC001267619914 775703257 /nfs/dbraw/zinc/70/32/57/775703257.db2.gz JTOINUJULLIEOA-LSDHHAIUSA-N 0 1 266.429 2.825 20 30 CFEDMN C=CCN1CCC[C@H](NC(=O)C(CC)(CC)CC)C1 ZINC001267632412 775719308 /nfs/dbraw/zinc/71/93/08/775719308.db2.gz OYIPJNAAAPAPON-AWEZNQCLSA-N 0 1 266.429 2.969 20 30 CFEDMN C[C@@H](C#C[Si](C)(C)C)Oc1n[nH]c2ncccc12 ZINC001226304223 775774338 /nfs/dbraw/zinc/77/43/38/775774338.db2.gz BGQCYZSQNCPYNQ-JTQLQIEISA-N 0 1 259.385 2.606 20 30 CFEDMN C[C@H](C#C[Si](C)(C)C)Oc1n[nH]c2ncccc12 ZINC001226304227 775774945 /nfs/dbraw/zinc/77/49/45/775774945.db2.gz BGQCYZSQNCPYNQ-SNVBAGLBSA-N 0 1 259.385 2.606 20 30 CFEDMN CCCCCCCN1C[C@@H]2C[C@H]1CN2C(=O)C#CC1CC1 ZINC001267706339 775792915 /nfs/dbraw/zinc/79/29/15/775792915.db2.gz KKCZHSVLOMYQOK-IRXDYDNUSA-N 0 1 288.435 2.655 20 30 CFEDMN CC#CCN1CC[C@H](N(C)C(=O)C(C)(C)CC(C)C)C1 ZINC001267776876 775917925 /nfs/dbraw/zinc/91/79/25/775917925.db2.gz NUZYBBUQOSQHNA-HNNXBMFYSA-N 0 1 278.440 2.615 20 30 CFEDMN C=C(Cl)CN[C@@H](CC)CNC(=O)[C@]1(C)CC=CCC1 ZINC001267808051 775948164 /nfs/dbraw/zinc/94/81/64/775948164.db2.gz JTZBJZNCPWHZKW-DZGCQCFKSA-N 0 1 284.831 2.970 20 30 CFEDMN C#C[C@@H](Oc1[nH]c(=O)nc2cnccc21)[C@H](CC)CCCC ZINC001226973912 776040216 /nfs/dbraw/zinc/04/02/16/776040216.db2.gz KIMYXTOPYNZMTB-IUODEOHRSA-N 0 1 299.374 2.915 20 30 CFEDMN C=CC[C@@H](C)Oc1[nH]c(=O)nc2ccc([N+](=O)[O-])cc21 ZINC001227092210 776091291 /nfs/dbraw/zinc/09/12/91/776091291.db2.gz OHERJFKRUBCRRF-MRVPVSSYSA-N 0 1 275.264 2.587 20 30 CFEDMN C=CCc1c([O-])ccc(C(C)=O)c1O[C@@H](C)C[NH+](C)C ZINC001227121044 776106969 /nfs/dbraw/zinc/10/69/69/776106969.db2.gz ZMHJVHBPXLBOEK-NSHDSACASA-N 0 1 277.364 2.652 20 30 CFEDMN COC(=O)C1CCC(Oc2nc3ccc(C#N)cc3[nH]2)CC1 ZINC001227216562 776141948 /nfs/dbraw/zinc/14/19/48/776141948.db2.gz WBWLTUSAURJVCE-UHFFFAOYSA-N 0 1 299.330 2.545 20 30 CFEDMN COC(=O)[C@H]1CCC[C@@H](Oc2nc3ccc(C#N)cc3[nH]2)C1 ZINC001227219479 776142133 /nfs/dbraw/zinc/14/21/33/776142133.db2.gz LJJJXTZPJOHCNU-NWDGAFQWSA-N 0 1 299.330 2.545 20 30 CFEDMN Cc1nn(C)cc1[C@@H](C)Oc1nc2ccc(C#N)cc2[nH]1 ZINC001227218222 776142808 /nfs/dbraw/zinc/14/28/08/776142808.db2.gz BTZYDLUXDCPYGM-SNVBAGLBSA-N 0 1 281.319 2.617 20 30 CFEDMN CC1(C)CC[C@@H](COc2nc3ccc(C#N)cc3[nH]2)O1 ZINC001227221961 776143495 /nfs/dbraw/zinc/14/34/95/776143495.db2.gz UVNXDSOOQPTEJV-NSHDSACASA-N 0 1 271.320 2.771 20 30 CFEDMN Cc1ccc2nc(=O)[nH]c(O[C@H](C)[C@H](C)S)c2c1 ZINC001227352077 776184370 /nfs/dbraw/zinc/18/43/70/776184370.db2.gz ZXICTHZABBHOLT-BDAKNGLRSA-N 0 1 264.350 2.729 20 30 CFEDMN C=C1O[C@H](CC)C(=O)C1Oc1ccc(C(=O)OCC)cc1 ZINC001227443279 776205171 /nfs/dbraw/zinc/20/51/71/776205171.db2.gz VBZHGPODOGGQMS-CYBMUJFWSA-N 0 1 290.315 2.852 20 30 CFEDMN C=CCC[C@H](C)N1CCO[C@@H](CNC(=O)/C(C)=C\CC)C1 ZINC001268018950 776222511 /nfs/dbraw/zinc/22/25/11/776222511.db2.gz WELCMAQPRXNBFN-IBBDDHLBSA-N 0 1 294.439 2.514 20 30 CFEDMN C=C[C@H](CCCCC)Oc1[nH]c(=S)nnc1C ZINC001227599342 776237702 /nfs/dbraw/zinc/23/77/02/776237702.db2.gz ZTUPLNOCRNTZHD-SNVBAGLBSA-N 0 1 253.371 2.982 20 30 CFEDMN C=C(C)CCC(=O)NC1CCN(CCC(F)(F)F)CC1 ZINC001227597327 776238799 /nfs/dbraw/zinc/23/87/99/776238799.db2.gz WUXFQDPQZJELFF-UHFFFAOYSA-N 0 1 292.345 2.876 20 30 CFEDMN CC[C@H](C#Cc1ccccc1)Oc1[nH]c(=S)nnc1C ZINC001227601072 776239396 /nfs/dbraw/zinc/23/93/96/776239396.db2.gz GFAOXKHVQCLTLS-CYBMUJFWSA-N 0 1 285.372 2.678 20 30 CFEDMN C=C[C@H](CCCCC)Oc1c[nH]c(C(=O)OC)cc1=O ZINC001227783674 776289177 /nfs/dbraw/zinc/28/91/77/776289177.db2.gz ODGNAGJUOKCJMC-LLVKDONJSA-N 0 1 279.336 2.675 20 30 CFEDMN C=CC[C@@H](CCCC)Oc1c[nH]c(C(=O)OC)cc1=O ZINC001227786208 776290524 /nfs/dbraw/zinc/29/05/24/776290524.db2.gz PALRGMXQXGOHIU-NSHDSACASA-N 0 1 279.336 2.675 20 30 CFEDMN CC(C)[N@@H+]1CCC[C@H](Oc2cc([O-])ccc2C#N)C1 ZINC001228007226 776360425 /nfs/dbraw/zinc/36/04/25/776360425.db2.gz OHWXVOJQOLTKPV-AWEZNQCLSA-N 0 1 260.337 2.515 20 30 CFEDMN CC(C)[N@H+]1CCC[C@H](Oc2cc([O-])ccc2C#N)C1 ZINC001228007226 776360435 /nfs/dbraw/zinc/36/04/35/776360435.db2.gz OHWXVOJQOLTKPV-AWEZNQCLSA-N 0 1 260.337 2.515 20 30 CFEDMN C#C[C@@H](Oc1[nH]c(=O)ncc1Cl)c1ccccc1 ZINC001228480844 776503082 /nfs/dbraw/zinc/50/30/82/776503082.db2.gz PZEBDAKTHCSBLH-LLVKDONJSA-N 0 1 260.680 2.589 20 30 CFEDMN N#C[C@@H](Oc1[nH]c(=O)ncc1Cl)c1ccccc1F ZINC001228482074 776503318 /nfs/dbraw/zinc/50/33/18/776503318.db2.gz JHRHYDICCGONSS-SNVBAGLBSA-N 0 1 279.658 2.618 20 30 CFEDMN C=CCN1CCC[C@H]1CNC(=O)c1sc(C)cc1C ZINC001027910074 776505415 /nfs/dbraw/zinc/50/54/15/776505415.db2.gz IBJAENISCZBTMA-ZDUSSCGKSA-N 0 1 278.421 2.745 20 30 CFEDMN C=CCN1CCC[C@@H]1CNC(=O)c1ccc2oc(C)nc2c1 ZINC001027960448 776527786 /nfs/dbraw/zinc/52/77/86/776527786.db2.gz AAINLRMGHNSDPV-CQSZACIVSA-N 0 1 299.374 2.516 20 30 CFEDMN C=CCCCC(=O)N(C)[C@@H](C)CNCc1nc(C)cs1 ZINC001268079820 776545627 /nfs/dbraw/zinc/54/56/27/776545627.db2.gz FSHRNBAOPOMVJJ-ZDUSSCGKSA-N 0 1 295.452 2.744 20 30 CFEDMN C=CC[N@@H+]1CCC[C@H]1CNC(=O)c1cc(Cl)ccc1F ZINC001028010848 776554832 /nfs/dbraw/zinc/55/48/32/776554832.db2.gz FFGVLACLQKATLZ-LBPRGKRZSA-N 0 1 296.773 2.859 20 30 CFEDMN C=CCN1CCC[C@H]1CNC(=O)c1cc(Cl)ccc1F ZINC001028010848 776554836 /nfs/dbraw/zinc/55/48/36/776554836.db2.gz FFGVLACLQKATLZ-LBPRGKRZSA-N 0 1 296.773 2.859 20 30 CFEDMN C#C[C@H](C)Oc1nc2cccc(Br)c2[nH]1 ZINC001228681855 776566495 /nfs/dbraw/zinc/56/64/95/776566495.db2.gz MIPARECSROAZDC-ZETCQYMHSA-N 0 1 265.110 2.726 20 30 CFEDMN C=CC[N@H+]1CCC[C@@H]1CNC(=O)[C@@H]1CC[C@@H]2C[C@@H]2CC1 ZINC001028043577 776569475 /nfs/dbraw/zinc/56/94/75/776569475.db2.gz RYSKLGXXRYNVTF-LVQVYYBASA-N 0 1 276.424 2.579 20 30 CFEDMN C=C(C)C[C@@H](C)C(=O)NC1CCN(C[C@H](F)CC)CC1 ZINC001228800812 776618334 /nfs/dbraw/zinc/61/83/34/776618334.db2.gz FWKBIFBQGXTNIB-ZIAGYGMSSA-N 0 1 284.419 2.917 20 30 CFEDMN C=CC[C@@H](Oc1nc(OC)cc(=O)[nH]1)c1ccccc1 ZINC001228918314 776657971 /nfs/dbraw/zinc/65/79/71/776657971.db2.gz OCVHNNVVQYFIQR-GFCCVEGCSA-N 0 1 272.304 2.887 20 30 CFEDMN C=CCN1CCC[C@@H]1CNC(=O)c1cc(C)ccc1F ZINC001028164758 776674394 /nfs/dbraw/zinc/67/43/94/776674394.db2.gz MXEVHSJCXGBZGN-CYBMUJFWSA-N 0 1 276.355 2.514 20 30 CFEDMN CC#CCN(C)CCN(C)C(=O)c1cc(F)cc(Cl)c1 ZINC001268250669 776722426 /nfs/dbraw/zinc/72/24/26/776722426.db2.gz OTVUUXXYLVXXKU-UHFFFAOYSA-N 0 1 296.773 2.506 20 30 CFEDMN C=CC[C@@H](CCCC)Oc1[nH]c(=O)[nH]c(=O)c1F ZINC001229124741 776727352 /nfs/dbraw/zinc/72/73/52/776727352.db2.gz OBNUJYITFZZQCG-QMMMGPOBSA-N 0 1 256.277 2.541 20 30 CFEDMN C=CCCC(=O)N1CC[C@@H]2[C@@H](CCN2CC(=C)Cl)C1 ZINC001268262846 776728780 /nfs/dbraw/zinc/72/87/80/776728780.db2.gz MVYNMLZMMREMPW-UONOGXRCSA-N 0 1 282.815 2.628 20 30 CFEDMN C=CCC[C@@H](C)N1CC(NC(=O)[C@@H](CC)CC(F)F)C1 ZINC001268317185 776747112 /nfs/dbraw/zinc/74/71/12/776747112.db2.gz GLOOXTJLFIRMOG-NEPJUHHUSA-N 0 1 288.382 2.823 20 30 CFEDMN C=CCC[C@H](C)N1CC(NC(=O)C[C@@H]2C=CCCC2)C1 ZINC001268327615 776748701 /nfs/dbraw/zinc/74/87/01/776748701.db2.gz LVCRQBISBLRFEK-LSDHHAIUSA-N 0 1 276.424 2.888 20 30 CFEDMN C=CCC[C@@H](C)N1CC(NC(=O)c2nccc3occc32)C1 ZINC001268349681 776759727 /nfs/dbraw/zinc/75/97/27/776759727.db2.gz HHAUCQXQKWRTFK-GFCCVEGCSA-N 0 1 299.374 2.597 20 30 CFEDMN CN1CCC[C@@H](Oc2cc(C#N)ccc2Cl)C1 ZINC001229247241 776763850 /nfs/dbraw/zinc/76/38/50/776763850.db2.gz CUJVSFCRXGJNSU-LLVKDONJSA-N 0 1 250.729 2.685 20 30 CFEDMN CC[N@H+]1CC[C@H](Oc2cc(C#N)ccc2Cl)C1 ZINC001229247422 776764420 /nfs/dbraw/zinc/76/44/20/776764420.db2.gz GKTVPWUSEAMUTA-NSHDSACASA-N 0 1 250.729 2.685 20 30 CFEDMN CCN1CC[C@H](Oc2cc(C#N)ccc2Cl)C1 ZINC001229247422 776764423 /nfs/dbraw/zinc/76/44/23/776764423.db2.gz GKTVPWUSEAMUTA-NSHDSACASA-N 0 1 250.729 2.685 20 30 CFEDMN C=C(C)C[C@H](Oc1nc(C)[nH]c(=O)c1[N+](=O)[O-])C(=C)C ZINC001229379320 776795363 /nfs/dbraw/zinc/79/53/63/776795363.db2.gz UQLYHPHSLYYKJC-JTQLQIEISA-N 0 1 279.296 2.689 20 30 CFEDMN C=CCC[C@H](CC)Oc1nc(C)[nH]c(=O)c1[N+](=O)[O-] ZINC001229378780 776795626 /nfs/dbraw/zinc/79/56/26/776795626.db2.gz MXKPHXGVTLWSRA-VIFPVBQESA-N 0 1 267.285 2.522 20 30 CFEDMN C#CCN1CCC[C@@H]1CNC(=O)c1cccc2ccccc21 ZINC001028299020 776843523 /nfs/dbraw/zinc/84/35/23/776843523.db2.gz XGAMIFAQXMSVIV-MRXNPFEDSA-N 0 1 292.382 2.667 20 30 CFEDMN CC#CCN1CCC[C@H]1CNC(=O)[C@@H]1CCCC(C)(C)C1 ZINC001028339887 776862014 /nfs/dbraw/zinc/86/20/14/776862014.db2.gz FPYNOLKMPBFQKA-CVEARBPZSA-N 0 1 290.451 2.807 20 30 CFEDMN C=CCN1CCC[C@@H]1CNC(=O)c1coc2ccccc12 ZINC001028350409 776868522 /nfs/dbraw/zinc/86/85/22/776868522.db2.gz DREVCJFRRLIYSW-CYBMUJFWSA-N 0 1 284.359 2.813 20 30 CFEDMN C#C[C@H](Oc1nc2ccc(OC)cc2[nH]1)c1ccncc1 ZINC001229728368 776880610 /nfs/dbraw/zinc/88/06/10/776880610.db2.gz SPJPXIZEVKEZDM-HNNXBMFYSA-N 0 1 279.299 2.720 20 30 CFEDMN CCC1=C(Oc2cc([N+](=O)[O-])c(C)cc2O)C(=O)[C@H](C)O1 ZINC001229749952 776886107 /nfs/dbraw/zinc/88/61/07/776886107.db2.gz ISDOIZGDLHCQOU-QMMMGPOBSA-N 0 1 293.275 2.597 20 30 CFEDMN CCCCCCC[N@H+]1C[C@@H](NC(=O)CCC)[C@H](OC)C1 ZINC001211768602 776899158 /nfs/dbraw/zinc/89/91/58/776899158.db2.gz KIXRGZAUQFRFIY-HUUCEWRRSA-N 0 1 284.444 2.572 20 30 CFEDMN CC#CCN1CCC(NC(=O)[C@H](F)CCCCCC)CC1 ZINC001230025671 776944189 /nfs/dbraw/zinc/94/41/89/776944189.db2.gz WVPWGCAEFIAPSR-MRXNPFEDSA-N 0 1 296.430 2.899 20 30 CFEDMN CC#CCN1CCC(NC(=O)C[C@@H](CC)C(C)C)CC1 ZINC001230090002 776953929 /nfs/dbraw/zinc/95/39/29/776953929.db2.gz DYLWWQAFEQUPLC-OAHLLOKOSA-N 0 1 278.440 2.663 20 30 CFEDMN C=C[C@H](C)Oc1nc2cccc(N3CCN(C)CC3)c2o1 ZINC001230103413 776954617 /nfs/dbraw/zinc/95/46/17/776954617.db2.gz INEJMXSVKPLGPX-LBPRGKRZSA-N 0 1 287.363 2.533 20 30 CFEDMN C=C(C)C(=O)OC[C@H](C)Oc1cc2cn[nH]c2cc1C ZINC001230221935 776960532 /nfs/dbraw/zinc/96/05/32/776960532.db2.gz CDTHEKBIUNSWGC-NSHDSACASA-N 0 1 274.320 2.758 20 30 CFEDMN C=CC[C@@H](CCCC)Oc1nc(C(=O)OC)c[nH]1 ZINC001230282261 776972928 /nfs/dbraw/zinc/97/29/28/776972928.db2.gz SVHFTXNYQVIFMN-JTQLQIEISA-N 0 1 252.314 2.710 20 30 CFEDMN C[N@H+]1CCC[C@@H](Oc2cccc(Br)c2C#N)C1 ZINC001230321339 776979069 /nfs/dbraw/zinc/97/90/69/776979069.db2.gz KHHMIAJANICYFN-SNVBAGLBSA-N 0 1 295.180 2.794 20 30 CFEDMN C=CCN1[C@@H]2CC[C@H]1[C@H](NC(=O)c1ccc(Cl)cc1)C2 ZINC001098262579 776989814 /nfs/dbraw/zinc/98/98/14/776989814.db2.gz CQBBEMNMVULEBE-KFWWJZLASA-N 0 1 290.794 2.861 20 30 CFEDMN C=C(Cl)CNC/C=C\CNC(=O)C(C)(C)C(C)(F)F ZINC001268620690 776999936 /nfs/dbraw/zinc/99/99/36/776999936.db2.gz XVNALHOCXLAIQD-WAYWQWQTSA-N 0 1 294.773 2.682 20 30 CFEDMN C#C[C@@H](Oc1cc2[nH]ncc2cc1[N+](=O)[O-])C(C)C ZINC001230600224 777023426 /nfs/dbraw/zinc/02/34/26/777023426.db2.gz DFPBJEBIXLVCOZ-GFCCVEGCSA-N 0 1 259.265 2.508 20 30 CFEDMN CC#CC[N@H+](C)C[C@H](C)NC(=O)c1cc(C)c(CC)s1 ZINC001268756061 777045931 /nfs/dbraw/zinc/04/59/31/777045931.db2.gz GMVGGEUSENSLRZ-ZDUSSCGKSA-N 0 1 292.448 2.692 20 30 CFEDMN CC#CCN(C)C[C@H](C)NC(=O)c1cc(C)c(CC)s1 ZINC001268756061 777045940 /nfs/dbraw/zinc/04/59/40/777045940.db2.gz GMVGGEUSENSLRZ-ZDUSSCGKSA-N 0 1 292.448 2.692 20 30 CFEDMN C=CCN(CCCNC(=O)/C(C)=C/C)Cc1cccnc1 ZINC001230726080 777052298 /nfs/dbraw/zinc/05/22/98/777052298.db2.gz AXCYCNKICQVPSB-PJQLUOCWSA-N 0 1 287.407 2.542 20 30 CFEDMN C=C(C)CN1CC(CNC(=O)C2(CCCC)CC2)C1 ZINC001268874607 777067870 /nfs/dbraw/zinc/06/78/70/777067870.db2.gz VGEPNTPPZMSBTG-UHFFFAOYSA-N 0 1 264.413 2.581 20 30 CFEDMN C=CC[C@@H](C=C)Oc1[nH]c(=O)nc2ccc(OC)cc21 ZINC001230863285 777077546 /nfs/dbraw/zinc/07/75/46/777077546.db2.gz ZQFPXFBLBZOMAY-SNVBAGLBSA-N 0 1 272.304 2.854 20 30 CFEDMN C[C@@H](CS)Oc1[nH]c(=O)nc2cccc(Cl)c21 ZINC001230887097 777082282 /nfs/dbraw/zinc/08/22/82/777082282.db2.gz VMKLFTXIPUUINL-LURJTMIESA-N 0 1 270.741 2.686 20 30 CFEDMN C#C[C@@H](CCC)Oc1[nH]c(=O)nc2cc(C)ccc21 ZINC001230889327 777083592 /nfs/dbraw/zinc/08/35/92/777083592.db2.gz UKLFAMQQQYCTRO-NSHDSACASA-N 0 1 256.305 2.825 20 30 CFEDMN C=C(C)CN1CC[C@H](NC(=O)[C@@](C)(F)CCCC)C1 ZINC001269039441 777091228 /nfs/dbraw/zinc/09/12/28/777091228.db2.gz WPOWLINRTVTPJN-ZFWWWQNUSA-N 0 1 270.392 2.671 20 30 CFEDMN C=CCCCC(=O)N[C@H]1CCN(Cc2ccc(C#N)cc2)C1 ZINC001269057011 777094313 /nfs/dbraw/zinc/09/43/13/777094313.db2.gz OYOUKGQVPNIADN-KRWDZBQOSA-N 0 1 297.402 2.605 20 30 CFEDMN C=C(C)C(=O)OC[C@H](C)Oc1cc2[nH]ncc2c(F)c1 ZINC001230930856 777096346 /nfs/dbraw/zinc/09/63/46/777096346.db2.gz JIACNKRLUHAHQV-VIFPVBQESA-N 0 1 278.283 2.589 20 30 CFEDMN C=CCN1CC[C@H](NC(=O)C[C@H](CC)c2ccccc2)C1 ZINC001269083327 777098876 /nfs/dbraw/zinc/09/88/76/777098876.db2.gz HWDWGLGDYSEKEJ-RDJZCZTQSA-N 0 1 286.419 2.947 20 30 CFEDMN C=C(Cl)CNC[C@@H](NC(=O)C1(C)CC=CC1)C1CC1 ZINC001269111449 777102269 /nfs/dbraw/zinc/10/22/69/777102269.db2.gz UJMASCQWKAEWOD-CYBMUJFWSA-N 0 1 282.815 2.580 20 30 CFEDMN C=C(Cl)CNC[C@H](NC(=O)C1(C)CC=CC1)C1CC1 ZINC001269111450 777102880 /nfs/dbraw/zinc/10/28/80/777102880.db2.gz UJMASCQWKAEWOD-ZDUSSCGKSA-N 0 1 282.815 2.580 20 30 CFEDMN C=CCC1(C(=O)N[C@@H](CNCC(=C)Cl)C2CC2)CCC1 ZINC001269117083 777103722 /nfs/dbraw/zinc/10/37/22/777103722.db2.gz XGJXZTGTOAXFEG-AWEZNQCLSA-N 0 1 296.842 2.970 20 30 CFEDMN C#C[C@H](CCCC)Oc1nc(Cl)nc2[nH]ncc21 ZINC001231047429 777124768 /nfs/dbraw/zinc/12/47/68/777124768.db2.gz SPFRMFARMZWSAA-MRVPVSSYSA-N 0 1 264.716 2.577 20 30 CFEDMN CCC#C[C@H](C)Oc1[nH]c(=O)nc2cccc(F)c21 ZINC001231072790 777132817 /nfs/dbraw/zinc/13/28/17/777132817.db2.gz CXUNRKDMTMQXFK-VIFPVBQESA-N 0 1 260.268 2.655 20 30 CFEDMN C=CCCCCCN1CC[C@@H]1CNC(=O)c1ccco1 ZINC001269188672 777135640 /nfs/dbraw/zinc/13/56/40/777135640.db2.gz ISXBWXIBPMUIKM-CQSZACIVSA-N 0 1 276.380 2.830 20 30 CFEDMN CCCCCCCN1CC[C@@H]1CNC(=O)c1ccsn1 ZINC001269254515 777150823 /nfs/dbraw/zinc/15/08/23/777150823.db2.gz AYYAEOCWNOAJDD-CYBMUJFWSA-N 0 1 295.452 2.918 20 30 CFEDMN C=C(C)CN1CC[C@H]1CN(C)C(=O)C[C@H](C)CCC ZINC001231129494 777151661 /nfs/dbraw/zinc/15/16/61/777151661.db2.gz CJHHVNPZUWAHIM-CABCVRRESA-N 0 1 266.429 2.922 20 30 CFEDMN C=C(C)C(C)(C)C(=O)NC[C@H]1CCN1CCCCCF ZINC001269273552 777154975 /nfs/dbraw/zinc/15/49/75/777154975.db2.gz ZJGXMHCTTBQILM-CQSZACIVSA-N 0 1 284.419 2.919 20 30 CFEDMN C=CC(C)(C)C(=O)NC[C@H]1CCN1CCc1ccccc1 ZINC001269273568 777155255 /nfs/dbraw/zinc/15/52/55/777155255.db2.gz ZSTGSXYAJJTFSG-MRXNPFEDSA-N 0 1 286.419 2.632 20 30 CFEDMN C=CCCCN1CC[C@H]1CNC(=O)c1nc(Cl)cs1 ZINC001269278267 777157453 /nfs/dbraw/zinc/15/74/53/777157453.db2.gz FYAYZVAKFDLMDA-JTQLQIEISA-N 0 1 299.827 2.567 20 30 CFEDMN CCCCCCCN1CC[C@H]1CN(C)C(=O)c1cocn1 ZINC001231198951 777169365 /nfs/dbraw/zinc/16/93/65/777169365.db2.gz VKPBOVFHTVYMCV-AWEZNQCLSA-N 0 1 293.411 2.791 20 30 CFEDMN C=C(C)C(C)(C)C(=O)NC[C@H](CC)NCc1nccs1 ZINC001269449183 777191298 /nfs/dbraw/zinc/19/12/98/777191298.db2.gz VEOGDPSECDDMCK-LBPRGKRZSA-N 0 1 295.452 2.730 20 30 CFEDMN C=C(Cl)CNC1(CNC(=O)C[C@H]2CC=CCC2)CC1 ZINC001269469808 777194840 /nfs/dbraw/zinc/19/48/40/777194840.db2.gz YSIOWQIUUKKGEQ-ZDUSSCGKSA-N 0 1 282.815 2.724 20 30 CFEDMN N#CC[C@H]1CCC[N@@H+](Cc2cc(C(=O)[O-])ccc2F)C1 ZINC001231459037 777226651 /nfs/dbraw/zinc/22/66/51/777226651.db2.gz RMNSCGHXHUJSHO-LLVKDONJSA-N 0 1 276.311 2.650 20 30 CFEDMN N#CC[C@H]1CCC[N@H+](Cc2cc(C(=O)[O-])ccc2F)C1 ZINC001231459037 777226661 /nfs/dbraw/zinc/22/66/61/777226661.db2.gz RMNSCGHXHUJSHO-LLVKDONJSA-N 0 1 276.311 2.650 20 30 CFEDMN N#Cc1ccc2c(c1)C[N@H+](Cc1ccc(C(=O)[O-])s1)CC2 ZINC001231462676 777227279 /nfs/dbraw/zinc/22/72/79/777227279.db2.gz NCDWAWVINMFRNU-UHFFFAOYSA-N 0 1 298.367 2.876 20 30 CFEDMN N#Cc1ccc2c(c1)C[N@@H+](Cc1ccc(C(=O)[O-])s1)CC2 ZINC001231462676 777227286 /nfs/dbraw/zinc/22/72/86/777227286.db2.gz NCDWAWVINMFRNU-UHFFFAOYSA-N 0 1 298.367 2.876 20 30 CFEDMN C=CCOC(=O)[C@@H](Nc1nccc2c1CCN2)[C@@H](C)CC ZINC001167955758 777253454 /nfs/dbraw/zinc/25/34/54/777253454.db2.gz XSWAUSPWSWHHMX-FZMZJTMJSA-N 0 1 289.379 2.605 20 30 CFEDMN C#CCN(C)Cc1ccc(OC(=O)C(C)C)c(OCC)c1 ZINC001231559527 777259566 /nfs/dbraw/zinc/25/95/66/777259566.db2.gz IQVCMBXWUKIEDU-UHFFFAOYSA-N 0 1 289.375 2.712 20 30 CFEDMN COc1cc(C#N)ccc1CN1CC[C@]2(C1)CCCCO2 ZINC001231616533 777280084 /nfs/dbraw/zinc/28/00/84/777280084.db2.gz DHLUZTHLBHCYBY-KRWDZBQOSA-N 0 1 286.375 2.712 20 30 CFEDMN C#Cc1cccc(CN2CC[C@@](O)(C(F)(F)F)[C@@H](C)C2)c1 ZINC001231655845 777293802 /nfs/dbraw/zinc/29/38/02/777293802.db2.gz BZORXOKPYYVIJX-WFASDCNBSA-N 0 1 297.320 2.803 20 30 CFEDMN C#Cc1cccc(CN2CCC[C@@H]2c2cnccn2)c1 ZINC001231659391 777298515 /nfs/dbraw/zinc/29/85/15/777298515.db2.gz KSACSMNGXBLTAZ-QGZVFWFLSA-N 0 1 263.344 2.795 20 30 CFEDMN C#CCN1CCC(C)(NC(=O)CC2CCCCC2)CC1 ZINC001270207015 777330950 /nfs/dbraw/zinc/33/09/50/777330950.db2.gz AYCIVJHWXVZKAZ-UHFFFAOYSA-N 0 1 276.424 2.561 20 30 CFEDMN CCCOc1ncccc1CN1CCC(CC#N)CC1 ZINC001231863300 777355999 /nfs/dbraw/zinc/35/59/99/777355999.db2.gz USSGOIOCLRGUGB-UHFFFAOYSA-N 0 1 273.380 2.996 20 30 CFEDMN C#CCN1CCN(Cc2ccccc2C(C)C)CC1 ZINC001231877565 777361322 /nfs/dbraw/zinc/36/13/22/777361322.db2.gz KIYNQIFDVBJVFV-UHFFFAOYSA-N 0 1 256.393 2.561 20 30 CFEDMN Cc1cc(F)ncc1CN1[C@@H]2CC[C@H]1C[C@H](C#N)C2 ZINC001231982712 777401346 /nfs/dbraw/zinc/40/13/46/777401346.db2.gz DSAASUNJMOYFFC-DEZZGGKRSA-N 0 1 259.328 2.796 20 30 CFEDMN C[C@@H]1CC[C@@H](CO)CN1Cc1ccc(C#N)c(Cl)c1 ZINC001232111963 777443876 /nfs/dbraw/zinc/44/38/76/777443876.db2.gz MSOAGIZNHBQZON-DGCLKSJQSA-N 0 1 278.783 2.804 20 30 CFEDMN N#Cc1ccc(CN2C[C@H]3[C@H](CF)[C@H]3C2)cc1Cl ZINC001232117199 777444912 /nfs/dbraw/zinc/44/49/12/777444912.db2.gz VKMYCYWDFHSQTA-XYYAHUGASA-N 0 1 264.731 2.859 20 30 CFEDMN CCC1(O)CCN(Cc2ccc(C#N)c(Cl)c2)CC1 ZINC001232115513 777445843 /nfs/dbraw/zinc/44/58/43/777445843.db2.gz RWSUKYZCFSDECE-UHFFFAOYSA-N 0 1 278.783 2.949 20 30 CFEDMN C=C(C)CCN1CC(N(C)C(=O)CCCC2CC2)C1 ZINC001277645389 777514173 /nfs/dbraw/zinc/51/41/73/777514173.db2.gz TUZMXYPFCFCAJK-UHFFFAOYSA-N 0 1 264.413 2.676 20 30 CFEDMN COc1cc(C)c(CN2CCC[C@H](C#N)CC2)cn1 ZINC001232352951 777534921 /nfs/dbraw/zinc/53/49/21/777534921.db2.gz YBVWXKBYQZWSFJ-ZDUSSCGKSA-N 0 1 259.353 2.524 20 30 CFEDMN CC#CCN1CC[C@H](NC(=O)c2ccc(Cl)o2)[C@H]1CC ZINC001087503917 777543840 /nfs/dbraw/zinc/54/38/40/777543840.db2.gz FWCSFQLAFLXOTI-NWDGAFQWSA-N 0 1 294.782 2.539 20 30 CFEDMN N#Cc1ccnc(C[N@H+]2CCCc3ccccc3C2)c1 ZINC001232477968 777574941 /nfs/dbraw/zinc/57/49/41/777574941.db2.gz GENXUAUSGJUUBC-UHFFFAOYSA-N 0 1 263.344 2.902 20 30 CFEDMN N#Cc1ccnc(CN2CCCc3ccccc3C2)c1 ZINC001232477968 777574946 /nfs/dbraw/zinc/57/49/46/777574946.db2.gz GENXUAUSGJUUBC-UHFFFAOYSA-N 0 1 263.344 2.902 20 30 CFEDMN CCOC[C@@]12CCC[C@@H]1C[N@@H+](Cc1cc(C#N)ccn1)C2 ZINC001232476647 777575000 /nfs/dbraw/zinc/57/50/00/777575000.db2.gz VBUYCQPXWFXLOR-WBVHZDCISA-N 0 1 285.391 2.592 20 30 CFEDMN CC#CCN1CC[C@H](NC(=O)C2C(C)(C)C2(C)C)[C@H]1CC ZINC001087533183 777603289 /nfs/dbraw/zinc/60/32/89/777603289.db2.gz NYTFOTGMLGGZOB-UONOGXRCSA-N 0 1 290.451 2.661 20 30 CFEDMN C#CCN1CCC[C@@](C)(CNC(=O)[C@]2(C)CC=CCC2)C1 ZINC001270965905 777616244 /nfs/dbraw/zinc/61/62/44/777616244.db2.gz RESXUOUYRXNKQL-ZWKOTPCHSA-N 0 1 288.435 2.584 20 30 CFEDMN C#CCN1CCC[C@](C)(CNC(=O)[C@]2(C)CC=CCC2)C1 ZINC001270965903 777616452 /nfs/dbraw/zinc/61/64/52/777616452.db2.gz RESXUOUYRXNKQL-QZTJIDSGSA-N 0 1 288.435 2.584 20 30 CFEDMN CN(CCC#N)Cc1cc(F)c(O)c(Br)c1 ZINC001232629838 777625475 /nfs/dbraw/zinc/62/54/75/777625475.db2.gz DZMMBVUHWKECCQ-UHFFFAOYSA-N 0 1 287.132 2.639 20 30 CFEDMN C=C[C@H](CC)CC(=O)N(C)[C@@H](C)CNCC(=C)Cl ZINC001271076762 777644412 /nfs/dbraw/zinc/64/44/12/777644412.db2.gz VTIKRKLPRTXONE-QWHCGFSZSA-N 0 1 272.820 2.778 20 30 CFEDMN N#Cc1ccc([O-])c(C[N@H+]2CC[C@@H](F)C(F)(F)CC2)c1 ZINC001232673412 777636726 /nfs/dbraw/zinc/63/67/26/777636726.db2.gz FOOPUOLNEHYKON-CYBMUJFWSA-N 0 1 284.281 2.833 20 30 CFEDMN N#Cc1ccc([O-])c(C[N@@H+]2C[C@H]3CC[C@@H](C2)C3(F)F)c1 ZINC001232675548 777638888 /nfs/dbraw/zinc/63/88/88/777638888.db2.gz QDMRMWDGEDYRJQ-BETUJISGSA-N 0 1 278.302 2.741 20 30 CFEDMN N#Cc1ccc([O-])c(C[N@H+]2CC[C@@H]3CCC[C@@H]3C2)c1 ZINC001232676086 777638912 /nfs/dbraw/zinc/63/89/12/777638912.db2.gz YKSZFOXBFCGVRE-UONOGXRCSA-N 0 1 256.349 2.886 20 30 CFEDMN N#C[C@@H]1CN(Cc2cc3ccc(Cl)cc3[nH]2)CCC1=O ZINC001232732089 777648937 /nfs/dbraw/zinc/64/89/37/777648937.db2.gz NASWSGVTPBSUCV-LLVKDONJSA-N 0 1 287.750 2.736 20 30 CFEDMN CC#CCN1CC[C@H](NC(=O)c2ccsc2C)[C@H]1CC ZINC001087567043 777659737 /nfs/dbraw/zinc/65/97/37/777659737.db2.gz RWVAPCFRPRAMSL-LSDHHAIUSA-N 0 1 290.432 2.663 20 30 CFEDMN C[N@@H+](Cc1ccc(CCO)cc1)Cc1cccc(C#N)c1 ZINC001232781066 777663409 /nfs/dbraw/zinc/66/34/09/777663409.db2.gz RUHWPZVWNYLFBY-UHFFFAOYSA-N 0 1 280.371 2.725 20 30 CFEDMN C=CCN1CCN(Cc2c[nH]c3cc(Cl)ncc23)CC1 ZINC001232820404 777680826 /nfs/dbraw/zinc/68/08/26/777680826.db2.gz KDAMDMFSDVHMOK-UHFFFAOYSA-N 0 1 290.798 2.520 20 30 CFEDMN C[N@@H+](Cc1ccc(C#N)cc1)Cc1ccc(C(C)(C)O)nc1 ZINC001232829814 777684407 /nfs/dbraw/zinc/68/44/07/777684407.db2.gz PTNUMFCIXVATBA-UHFFFAOYSA-N 0 1 295.386 2.813 20 30 CFEDMN CN(Cc1ccc(C#N)cc1)Cc1ccc(C(C)(C)O)nc1 ZINC001232829814 777684414 /nfs/dbraw/zinc/68/44/14/777684414.db2.gz PTNUMFCIXVATBA-UHFFFAOYSA-N 0 1 295.386 2.813 20 30 CFEDMN C=C1CCC(C(=O)N[C@H]2CCN(CCF)[C@@H]2CC)CC1 ZINC001087713968 777684983 /nfs/dbraw/zinc/68/49/83/777684983.db2.gz XNYRWEUXOQHVCX-LSDHHAIUSA-N 0 1 282.403 2.671 20 30 CFEDMN Cc1cccc(O[C@H]2CC[N@@H+](Cc3ccc(C#N)s3)C2)n1 ZINC001232844995 777692034 /nfs/dbraw/zinc/69/20/34/777692034.db2.gz IHWAIOCZDCOEPC-ZDUSSCGKSA-N 0 1 299.399 2.977 20 30 CFEDMN Cc1cccc(O[C@H]2CCN(Cc3ccc(C#N)s3)C2)n1 ZINC001232844995 777692038 /nfs/dbraw/zinc/69/20/38/777692038.db2.gz IHWAIOCZDCOEPC-ZDUSSCGKSA-N 0 1 299.399 2.977 20 30 CFEDMN CC#CCN1CC[C@H](NC(=O)[C@@H](C)C2CCCC2)[C@H]1CC ZINC001087791693 777699004 /nfs/dbraw/zinc/69/90/04/777699004.db2.gz VDTBWZGPXIBGOE-BHYGNILZSA-N 0 1 290.451 2.805 20 30 CFEDMN C#CCN1CC[C@H](NC(=O)c2coc3ccccc23)[C@H]1CC ZINC001087848487 777721140 /nfs/dbraw/zinc/72/11/40/777721140.db2.gz ZGKJBRSYIWAACE-JKSUJKDBSA-N 0 1 296.370 2.649 20 30 CFEDMN COC1(C)CCN(Cc2ccc(C)cc2C#N)CC1 ZINC001232961704 777738606 /nfs/dbraw/zinc/73/86/06/777738606.db2.gz DFTSUTHRGDGPCK-UHFFFAOYSA-N 0 1 258.365 2.868 20 30 CFEDMN Cc1ccc(CN(C)CCc2ccncc2)c(C#N)c1 ZINC001232966334 777741522 /nfs/dbraw/zinc/74/15/22/777741522.db2.gz LRDQNJYFRKNRNQ-UHFFFAOYSA-N 0 1 265.360 2.936 20 30 CFEDMN COC(=O)[C@H]1CC[C@@H](C)N(Cc2ccc(C)cc2C#N)C1 ZINC001232966657 777743565 /nfs/dbraw/zinc/74/35/65/777743565.db2.gz QODBSBXYUDRAOJ-HIFRSBDPSA-N 0 1 286.375 2.640 20 30 CFEDMN CC(=O)N1CC[C@H](N(Cc2ccc(C)cc2C#N)C(C)C)C1 ZINC001232969071 777744530 /nfs/dbraw/zinc/74/45/30/777744530.db2.gz XHQXARSGCHGERZ-SFHVURJKSA-N 0 1 299.418 2.698 20 30 CFEDMN CC[N@@H+](CCn1ccnc1)Cc1ccc(C)cc1C#N ZINC001232968369 777745168 /nfs/dbraw/zinc/74/51/68/777745168.db2.gz HNHNTORMOBGBGC-UHFFFAOYSA-N 0 1 268.364 2.585 20 30 CFEDMN CCN(CCn1ccnc1)Cc1ccc(C)cc1C#N ZINC001232968369 777745172 /nfs/dbraw/zinc/74/51/72/777745172.db2.gz HNHNTORMOBGBGC-UHFFFAOYSA-N 0 1 268.364 2.585 20 30 CFEDMN C=CCN(C)Cc1cc(I)cs1 ZINC001141864919 777759898 /nfs/dbraw/zinc/75/98/98/777759898.db2.gz QOOYDWVTJXYNAM-UHFFFAOYSA-N 0 1 293.173 2.971 20 30 CFEDMN CSc1nc(CN2CCCC23CC3)ccc1C#N ZINC001141929412 777791105 /nfs/dbraw/zinc/79/11/05/777791105.db2.gz UTMXWMUGBUDLEL-UHFFFAOYSA-N 0 1 259.378 2.804 20 30 CFEDMN C=CCCCN1CCc2cc(C(=O)NC(C)(C)C)[nH]c2C1 ZINC001277758740 777791852 /nfs/dbraw/zinc/79/18/52/777791852.db2.gz WLSNUATXOXXMSG-UHFFFAOYSA-N 0 1 289.423 2.867 20 30 CFEDMN C[C@@H]1CCN(Cc2ccc(N(C)C)c(C#N)c2F)C1 ZINC001233098409 777794331 /nfs/dbraw/zinc/79/43/31/777794331.db2.gz KRZUEPMEBQFWFL-LLVKDONJSA-N 0 1 261.344 2.605 20 30 CFEDMN CCN(Cc1ccc(N(C)C)c(C#N)c1F)C1CC1 ZINC001233096889 777795039 /nfs/dbraw/zinc/79/50/39/777795039.db2.gz NPBHZUYUSCNTHS-UHFFFAOYSA-N 0 1 261.344 2.748 20 30 CFEDMN C[C@H]1CCCN(Cc2ccc(N(C)C)c(C#N)c2F)C1 ZINC001233097143 777795129 /nfs/dbraw/zinc/79/51/29/777795129.db2.gz QTAVTXPWNMFOTG-LBPRGKRZSA-N 0 1 275.371 2.995 20 30 CFEDMN CC#CCN[C@H](CNC(=O)C(C)C)c1ccccc1CC ZINC001271437169 777848998 /nfs/dbraw/zinc/84/89/98/777848998.db2.gz FYFAZNBTXOUZBB-QGZVFWFLSA-N 0 1 286.419 2.675 20 30 CFEDMN COc1cccc2c1C[N@@H+](Cc1ccc(C#N)cc1[O-])CC2 ZINC001233383439 777926009 /nfs/dbraw/zinc/92/60/09/777926009.db2.gz HYRKGGNCOSSJJV-UHFFFAOYSA-N 0 1 294.354 2.831 20 30 CFEDMN N#Cc1ccc(C[N@H+]2CC[C@@H]3CCC[C@H]3C2)c([O-])c1 ZINC001233384507 777926854 /nfs/dbraw/zinc/92/68/54/777926854.db2.gz YCRYHRMHHJMPMH-KBPBESRZSA-N 0 1 256.349 2.886 20 30 CFEDMN N#Cc1ccc(C[N@H+]2CC[C@H](c3ccncc3)C2)c([O-])c1 ZINC001233385704 777927373 /nfs/dbraw/zinc/92/73/73/777927373.db2.gz QWXUNKMYELFBMC-HNNXBMFYSA-N 0 1 279.343 2.648 20 30 CFEDMN N#Cc1ccc(C[N@@H+]2C[C@H]3CC[C@@H](C2)C3(F)F)c([O-])c1 ZINC001233384448 777928293 /nfs/dbraw/zinc/92/82/93/777928293.db2.gz WPVFARAASOMEIQ-BETUJISGSA-N 0 1 278.302 2.741 20 30 CFEDMN C[N@@H+](CCOc1ccccc1)Cc1ccc(C#N)cc1[O-] ZINC001233386489 777928896 /nfs/dbraw/zinc/92/88/96/777928896.db2.gz VXZYYGRGJXCWFH-UHFFFAOYSA-N 0 1 282.343 2.775 20 30 CFEDMN C=C1O[C@H](C)C(=O)C1Oc1ccc(OC(F)F)cc1 ZINC001233649138 778024289 /nfs/dbraw/zinc/02/42/89/778024289.db2.gz JISWQOKFOMAUOI-SSDOTTSWSA-N 0 1 270.231 2.886 20 30 CFEDMN C[C@@H]1C[C@H](N(CCC#N)Cc2ccccc2)CCO1 ZINC001168103891 778046755 /nfs/dbraw/zinc/04/67/55/778046755.db2.gz KGEYCMJCQKTAGW-GDBMZVCRSA-N 0 1 258.365 2.970 20 30 CFEDMN C#CCN1CC[C@@H]2[C@@H]1CCCN2C(=O)[C@H](CC)CCCC ZINC001272006121 778110898 /nfs/dbraw/zinc/11/08/98/778110898.db2.gz SUGQRAVVSSKZBP-IXDOHACOSA-N 0 1 290.451 2.901 20 30 CFEDMN C=C[C@H](CC)Oc1nc2cccc(C(=O)OC)c2[nH]1 ZINC001234039975 778149654 /nfs/dbraw/zinc/14/96/54/778149654.db2.gz UVKTZKVIUFRDME-SECBINFHSA-N 0 1 260.293 2.693 20 30 CFEDMN C#C[C@@H](CCC)Oc1nc2cccc(C(=O)OC)c2[nH]1 ZINC001234042707 778150718 /nfs/dbraw/zinc/15/07/18/778150718.db2.gz ATULMOGYIBUSGE-JTQLQIEISA-N 0 1 272.304 2.530 20 30 CFEDMN C#C[C@@H](CCCC)Oc1nc2cccc(C(=O)OC)c2[n-]1 ZINC001234043542 778151162 /nfs/dbraw/zinc/15/11/62/778151162.db2.gz DGEMIZXMTSAGJB-NSHDSACASA-N 0 1 286.331 2.920 20 30 CFEDMN C#C[C@@H](CCCC)Oc1nc2cccc(C(=O)OC)c2[nH]1 ZINC001234043542 778151165 /nfs/dbraw/zinc/15/11/65/778151165.db2.gz DGEMIZXMTSAGJB-NSHDSACASA-N 0 1 286.331 2.920 20 30 CFEDMN C=C(C)CN1CC[C@H]1CN(C)C(=O)CC(C)(C)C1CC1 ZINC001234098605 778165608 /nfs/dbraw/zinc/16/56/08/778165608.db2.gz DWAVGFGEOOSSME-HNNXBMFYSA-N 0 1 278.440 2.922 20 30 CFEDMN C=CC(C)(C)C(=O)NC1CCN(C[C@@H](F)CC)CC1 ZINC001228631220 778177916 /nfs/dbraw/zinc/17/79/16/778177916.db2.gz HIFBGPCZRQZMSW-LBPRGKRZSA-N 0 1 270.392 2.527 20 30 CFEDMN C=C[C@H](CCC)Oc1[nH]c(=O)nc2cccc(C#N)c21 ZINC001234513500 778241184 /nfs/dbraw/zinc/24/11/84/778241184.db2.gz MMPWRYPCVNSQLQ-LLVKDONJSA-N 0 1 269.304 2.941 20 30 CFEDMN C=CCC(CC=C)C(=O)N(C)C[C@@H]1CCN1CCCF ZINC001234518895 778242273 /nfs/dbraw/zinc/24/22/73/778242273.db2.gz YDILFWQSOOOZLM-HNNXBMFYSA-N 0 1 282.403 2.647 20 30 CFEDMN CC(C)[C@@H](C)Oc1[nH]c(=O)nc2ccc(C#N)cc21 ZINC001234519562 778242701 /nfs/dbraw/zinc/24/27/01/778242701.db2.gz JGBWNXRSIYYUDA-SECBINFHSA-N 0 1 257.293 2.630 20 30 CFEDMN C=CCC[N@@H+]1CC[C@H]1CN(C)C(=O)CC(C)(C)CC ZINC001234536593 778245901 /nfs/dbraw/zinc/24/59/01/778245901.db2.gz FPMAWTQMIGQWHD-AWEZNQCLSA-N 0 1 266.429 2.922 20 30 CFEDMN C=CC[C@@H](C=C)Oc1nc(C)[nH]c(=O)c1Br ZINC001234568336 778253625 /nfs/dbraw/zinc/25/36/25/778253625.db2.gz MKMLSDPNQJCDAI-MRVPVSSYSA-N 0 1 285.141 2.763 20 30 CFEDMN C=CCCN1CC[C@H]1CNC(=O)c1c(C)oc(C)c1C ZINC001038476382 778296816 /nfs/dbraw/zinc/29/68/16/778296816.db2.gz DSIKWKJTADKDPQ-AWEZNQCLSA-N 0 1 276.380 2.585 20 30 CFEDMN CC#CCN1CC[C@H](NC(=O)[C@@H]2C[C@H]2CC(C)(C)C)[C@H]1C ZINC001088576313 778297089 /nfs/dbraw/zinc/29/70/89/778297089.db2.gz IGZZJDPULBCDMT-QXSJWSMHSA-N 0 1 290.451 2.661 20 30 CFEDMN C[C@@H](C#N)N(C)Cc1cc(Br)cc(F)c1O ZINC001235064450 778369114 /nfs/dbraw/zinc/36/91/14/778369114.db2.gz DLJNILHYWDTBDR-ZETCQYMHSA-N 0 1 287.132 2.638 20 30 CFEDMN CC#CCN(C)CCN(C)C(=O)C[C@H]1CCCC[C@@H]1C ZINC001272185553 778369794 /nfs/dbraw/zinc/36/97/94/778369794.db2.gz PAJIUCWBVYNFGM-JKSUJKDBSA-N 0 1 278.440 2.616 20 30 CFEDMN N#C[C@@H]1CCN(Cc2cc(F)cc(Br)c2O)C1 ZINC001235303233 778450336 /nfs/dbraw/zinc/45/03/36/778450336.db2.gz MFZMBPDPZWMOMC-QMMMGPOBSA-N 0 1 299.143 2.639 20 30 CFEDMN N#CCCN1CCCC2(CN(CCCC(F)(F)F)C2)C1 ZINC001277936594 778454364 /nfs/dbraw/zinc/45/43/64/778454364.db2.gz MLUBVCVGXJBSIG-UHFFFAOYSA-N 0 1 289.345 2.640 20 30 CFEDMN C=CCC[C@@H](C)[N@H+]1CC[C@H]1CN(C)C(=O)c1ccsn1 ZINC001235683248 778536041 /nfs/dbraw/zinc/53/60/41/778536041.db2.gz GBANOAIMMQMOFL-OLZOCXBDSA-N 0 1 293.436 2.644 20 30 CFEDMN C=CCN1C[C@@H]2CCN(C(=O)c3ccsc3Cl)[C@@H]2C1 ZINC001076324922 778583351 /nfs/dbraw/zinc/58/33/51/778583351.db2.gz HROOZHPAYDVVIA-CMPLNLGQSA-N 0 1 296.823 2.734 20 30 CFEDMN C=C(C)CN1C[C@@H]2CCN(C(=O)c3ccc(F)s3)[C@@H]2C1 ZINC001076630191 778598622 /nfs/dbraw/zinc/59/86/22/778598622.db2.gz QKXNQOJHYUWFII-NWDGAFQWSA-N 0 1 294.395 2.610 20 30 CFEDMN N#Cc1nc(-c2cc(O)cc(Cl)c2)cc2[nH]cnc21 ZINC001235899051 778598743 /nfs/dbraw/zinc/59/87/43/778598743.db2.gz BGOZLIXWGWWRNH-UHFFFAOYSA-N 0 1 270.679 2.856 20 30 CFEDMN C=C(C)CCN1CC(NC(=O)C[C@@H]2CCC[C@@H]2C)C1 ZINC001030359694 778846304 /nfs/dbraw/zinc/84/63/04/778846304.db2.gz OXDGPCOPYKKHJR-KBPBESRZSA-N 0 1 264.413 2.579 20 30 CFEDMN N#CC[C@@H]1CCCN(Cc2cc3cc[nH]c3cn2)C1 ZINC001231668653 778868262 /nfs/dbraw/zinc/86/82/62/778868262.db2.gz CUHISKFCLWIXAS-LBPRGKRZSA-N 0 1 254.337 2.689 20 30 CFEDMN COc1ccc(CN2CCC[C@H](C#N)C2)c(O)c1Cl ZINC001236811876 778949338 /nfs/dbraw/zinc/94/93/38/778949338.db2.gz QOQKLUPUTIGGME-SNVBAGLBSA-N 0 1 280.755 2.790 20 30 CFEDMN COc1ccc(CN2CCCC[C@@H]2C#N)c(O)c1Cl ZINC001236812259 778949938 /nfs/dbraw/zinc/94/99/38/778949938.db2.gz UJPDLUDEOUZDLX-LLVKDONJSA-N 0 1 280.755 2.932 20 30 CFEDMN C#CCN1CC[C@H](NC(=O)[C@H](C)c2ccc(CC)cc2)[C@H]1C ZINC001088924150 778950891 /nfs/dbraw/zinc/95/08/91/778950891.db2.gz IMSKWTONDXSUNI-RKVPGOIHSA-N 0 1 298.430 2.565 20 30 CFEDMN C[C@@]1(F)CC[N@@H+](Cc2cc(C#N)ccc2[O-])C[C@H]1F ZINC001232673776 778962016 /nfs/dbraw/zinc/96/20/16/778962016.db2.gz NAMYITXJQCNLIG-ZIAGYGMSSA-N 0 1 266.291 2.536 20 30 CFEDMN C=CCN1CC[C@H](NC(=O)c2cc(C)c(CC)o2)[C@H]1C ZINC001088976345 778964556 /nfs/dbraw/zinc/96/45/56/778964556.db2.gz SQQKOVNGTXCZBE-OLZOCXBDSA-N 0 1 276.380 2.529 20 30 CFEDMN C#CCN1CC[C@H](NC(=O)C[C@H]2CCCC(C)(C)C2)[C@H]1C ZINC001088980872 778965864 /nfs/dbraw/zinc/96/58/64/778965864.db2.gz VGGJSCZSZJMXBP-OAGGEKHMSA-N 0 1 290.451 2.805 20 30 CFEDMN C#CCC[N@@H+]1CC[C@H](NC(=O)c2cc(C)cc(C)c2)[C@H]1C ZINC001089003646 778972452 /nfs/dbraw/zinc/97/24/52/778972452.db2.gz BQKDSVTXFBANSK-WBVHZDCISA-N 0 1 284.403 2.519 20 30 CFEDMN CC#CCN1CC[C@H](NC(=O)c2ccccc2Cl)[C@H]1C ZINC001088997722 778972863 /nfs/dbraw/zinc/97/28/63/778972863.db2.gz GWXGEESVYRBOEB-DOMZBBRYSA-N 0 1 290.794 2.556 20 30 CFEDMN C#CCCN1CC[C@H](NC(=O)c2sccc2CC)[C@H]1C ZINC001089057101 778984045 /nfs/dbraw/zinc/98/40/45/778984045.db2.gz IOJDDNSZVIVNSY-OCCSQVGLSA-N 0 1 290.432 2.526 20 30 CFEDMN Cc1ccc(CN2CC[C@]3(CCCO3)C2)c(C#N)c1 ZINC001232963435 779000476 /nfs/dbraw/zinc/00/04/76/779000476.db2.gz GVKTULXVNNHGTP-MRXNPFEDSA-N 0 1 256.349 2.622 20 30 CFEDMN C#CCCN1CC[C@H]1CNC(=O)c1csc2ccccc12 ZINC001038566970 779009531 /nfs/dbraw/zinc/00/95/31/779009531.db2.gz QTABNFCNPYIUEL-ZDUSSCGKSA-N 0 1 298.411 2.729 20 30 CFEDMN CC(C)(C)c1nc2c(ncnc2NCCCCC#N)[nH]1 ZINC001168428904 779014743 /nfs/dbraw/zinc/01/47/43/779014743.db2.gz HHCKIBNIRMLIRK-UHFFFAOYSA-N 0 1 272.356 2.756 20 30 CFEDMN N#C[C@@H]1CN(Cc2ccc3cccccc2-3)CCC1=O ZINC001237192683 779045196 /nfs/dbraw/zinc/04/51/96/779045196.db2.gz JMBXZCWFLRBGJT-OAHLLOKOSA-N 0 1 264.328 2.706 20 30 CFEDMN COC(=O)c1coc(CN=Nc2cc(Cl)ccn2)c1 ZINC000758127286 779060364 /nfs/dbraw/zinc/06/03/64/779060364.db2.gz RCUIUOOREVBWAG-UHFFFAOYSA-N 0 1 279.683 2.561 20 30 CFEDMN C=C1O[C@H](C)C(=O)C1Oc1ccc(C(=O)OCC)c(C)c1 ZINC001233804778 779091270 /nfs/dbraw/zinc/09/12/70/779091270.db2.gz CJIJBRRCCLMEFW-SNVBAGLBSA-N 0 1 290.315 2.770 20 30 CFEDMN Cn1cc(CN2C[C@@H]3C[C@@H]3[C@H](F)C2)c2cc(C#N)ccc21 ZINC001237469385 779115152 /nfs/dbraw/zinc/11/51/52/779115152.db2.gz UTUBVTUNAODIDH-DUVNUKRYSA-N 0 1 283.350 2.840 20 30 CFEDMN CCCCCCCN1CC2(C1)COCC(=O)N2[C@H](C)CC ZINC001272476878 779119942 /nfs/dbraw/zinc/11/99/42/779119942.db2.gz RYMAWNXOMHHTNG-OAHLLOKOSA-N 0 1 296.455 2.669 20 30 CFEDMN CCCCCCOCC(=O)Nc1cc(C#N)ccc1O ZINC000176404747 779124693 /nfs/dbraw/zinc/12/46/93/779124693.db2.gz ALDQDASSAOSGDD-UHFFFAOYSA-N 0 1 276.336 2.799 20 30 CFEDMN C=CCOCC[N@@H+]1CC[C@@H]1CN(C)C(=O)[C@H](C)CCCC ZINC001234051780 779128657 /nfs/dbraw/zinc/12/86/57/779128657.db2.gz WCAMVPHLOVTAKW-HZPDHXFCSA-N 0 1 296.455 2.548 20 30 CFEDMN C=CCOCCN1CC[C@@H]1CN(C)C(=O)[C@H](C)CCCC ZINC001234051780 779128659 /nfs/dbraw/zinc/12/86/59/779128659.db2.gz WCAMVPHLOVTAKW-HZPDHXFCSA-N 0 1 296.455 2.548 20 30 CFEDMN C[C@@H]1CCN(Cc2cn3cc(C#N)ccc3n2)[C@@H](C)C1 ZINC001237614548 779142643 /nfs/dbraw/zinc/14/26/43/779142643.db2.gz QAMIAYSRGUDHJM-OLZOCXBDSA-N 0 1 268.364 2.826 20 30 CFEDMN N#C[C@@H]1CCCN1Cc1cc(Cl)cc(F)c1O ZINC001237619286 779145933 /nfs/dbraw/zinc/14/59/33/779145933.db2.gz MGAAACICWNECKK-JTQLQIEISA-N 0 1 254.692 2.673 20 30 CFEDMN C=CCN1CC[C@@](C)(NC(=O)c2cc(F)c(C)cc2F)C1 ZINC001046391981 779168490 /nfs/dbraw/zinc/16/84/90/779168490.db2.gz HIHGBPCLGOHOCA-MRXNPFEDSA-N 0 1 294.345 2.653 20 30 CFEDMN C=C(C)CCN1CC(NC(=O)Cc2ccc(CC)cc2)C1 ZINC001031027834 779180207 /nfs/dbraw/zinc/18/02/07/779180207.db2.gz UOHXSXPFCOFFGU-UHFFFAOYSA-N 0 1 286.419 2.558 20 30 CFEDMN C[C@@]1(C#N)CCN(Cc2cc(F)c(O)c(Cl)c2)C1 ZINC001237991578 779223077 /nfs/dbraw/zinc/22/30/77/779223077.db2.gz BWFLYXFTJLTMCB-ZDUSSCGKSA-N 0 1 268.719 2.920 20 30 CFEDMN C[C@H]1CN(Cc2ccc(C#N)cc2Cl)CCC[C@H]1O ZINC001238080818 779247900 /nfs/dbraw/zinc/24/79/00/779247900.db2.gz ZTUMQHYGIUROPT-XHDPSFHLSA-N 0 1 278.783 2.804 20 30 CFEDMN C[C@@H]1CN(Cc2ccc(C#N)cc2Cl)CCC[C@H]1O ZINC001238080816 779248772 /nfs/dbraw/zinc/24/87/72/779248772.db2.gz ZTUMQHYGIUROPT-IAQYHMDHSA-N 0 1 278.783 2.804 20 30 CFEDMN Cc1csc(C(C#N)C(=O)C=Cc2nccs2)n1 ZINC001122491407 779253890 /nfs/dbraw/zinc/25/38/90/779253890.db2.gz CDDVYDUCCJCZAR-PKRMOACSSA-N 0 1 275.358 2.798 20 30 CFEDMN C=CCC[C@@H](CC)Oc1nc(F)nc2nc[nH]c21 ZINC001234694221 779266249 /nfs/dbraw/zinc/26/62/49/779266249.db2.gz YHYQBRQFJZNXOM-MRVPVSSYSA-N 0 1 250.277 2.616 20 30 CFEDMN N#Cc1cc(CN2CCC[C@](F)(CO)CC2)ccc1Cl ZINC001238189623 779275045 /nfs/dbraw/zinc/27/50/45/779275045.db2.gz UJKIRSLICBPMPG-OAHLLOKOSA-N 0 1 296.773 2.898 20 30 CFEDMN C=CCN1C(=O)CC[C@@H]2[C@H]1CCN2Cc1ccccc1F ZINC001272594000 779286029 /nfs/dbraw/zinc/28/60/29/779286029.db2.gz ASHNFXCSKFWHRI-HZPDHXFCSA-N 0 1 288.366 2.577 20 30 CFEDMN C=C(C)CN1CC[C@H]1CN(C)C(=O)[C@@H](CC)CC(F)F ZINC001235224563 779330164 /nfs/dbraw/zinc/33/01/64/779330164.db2.gz HMAUEOGWYVCRGN-STQMWFEESA-N 0 1 288.382 2.777 20 30 CFEDMN C#C[C@H]1CCCN(Cc2c(F)cc(C)cc2OC)C1 ZINC001238592325 779346505 /nfs/dbraw/zinc/34/65/05/779346505.db2.gz SJFRSZQMHHCYEK-ZDUSSCGKSA-N 0 1 261.340 2.988 20 30 CFEDMN CCc1cc(CN2CCC[C@H](n3ccnn3)C2)ccc1C#N ZINC001238773346 779388579 /nfs/dbraw/zinc/38/85/79/779388579.db2.gz VMXAKKFDUKEVLW-KRWDZBQOSA-N 0 1 295.390 2.549 20 30 CFEDMN C#CCN(C)Cc1ccccc1CNC(=O)C(CC)CC ZINC001272661988 779429235 /nfs/dbraw/zinc/42/92/35/779429235.db2.gz IBDCVRCWEANYNC-UHFFFAOYSA-N 0 1 286.419 2.804 20 30 CFEDMN CC#CCN(C)C[C@@H]1CCCN1C(=O)[C@H]1CCC(C)(C)C1 ZINC001281957648 779478748 /nfs/dbraw/zinc/47/87/48/779478748.db2.gz SQPVTOHNDFJGEG-HOTGVXAUSA-N 0 1 290.451 2.759 20 30 CFEDMN CCCCCCCCNC(=O)N1CC[C@@H](N)C(F)(F)C1 ZINC001239288768 779501804 /nfs/dbraw/zinc/50/18/04/779501804.db2.gz SJEDLYFMRDCCGB-GFCCVEGCSA-N 0 1 291.386 2.725 20 30 CFEDMN CC#CCN1CC(C)(C)CC[C@@H]1CNC(=O)c1ccccc1 ZINC001089601996 779538658 /nfs/dbraw/zinc/53/86/58/779538658.db2.gz VALPJWRLKGJOSB-QGZVFWFLSA-N 0 1 298.430 2.930 20 30 CFEDMN C=CCN1CC(C)(C)CC[C@@H]1CNC(=O)c1cocc1C ZINC001089680046 779564030 /nfs/dbraw/zinc/56/40/30/779564030.db2.gz FLBHURRTRUSZBC-CQSZACIVSA-N 0 1 290.407 2.994 20 30 CFEDMN CCCCC[C@H](NC)c1nc(-c2ccc(C#N)cn2)no1 ZINC001212281279 779576995 /nfs/dbraw/zinc/57/69/95/779576995.db2.gz QSHOOJAHBFSUIN-ZDUSSCGKSA-N 0 1 285.351 2.844 20 30 CFEDMN CCCCCCCNC(=S)N1C[C@@H](C)N[C@H](C)C1 ZINC001239461892 779577469 /nfs/dbraw/zinc/57/74/69/779577469.db2.gz UTUKJXUUXJTEQH-CHWSQXEVSA-N 0 1 271.474 2.514 20 30 CFEDMN C=CCN1CC(CNC(=O)c2cc3sccc3s2)C1 ZINC001031771724 779599333 /nfs/dbraw/zinc/59/93/33/779599333.db2.gz HCQOGPRUTCQADX-UHFFFAOYSA-N 0 1 292.429 2.810 20 30 CFEDMN CCOc1ccccc1-c1cc2[nH]cnc2c(C#N)n1 ZINC001239557890 779626539 /nfs/dbraw/zinc/62/65/39/779626539.db2.gz RBLQRINPAPERNV-UHFFFAOYSA-N 0 1 264.288 2.895 20 30 CFEDMN C=C(C)CN1CC(CNC(=O)c2ccc(CC)s2)C1 ZINC001031823946 779628495 /nfs/dbraw/zinc/62/84/95/779628495.db2.gz TYFVQAOJGVTTSB-UHFFFAOYSA-N 0 1 278.421 2.548 20 30 CFEDMN C=CCN1CC(CNC(=O)c2ccc(CCCC)cc2)C1 ZINC001031829240 779632321 /nfs/dbraw/zinc/63/23/21/779632321.db2.gz KMLKDBHWGZEKSC-UHFFFAOYSA-N 0 1 286.419 2.877 20 30 CFEDMN C=C(C)CN1CC(CNC(=O)[C@@H]2CCCC[C@@H]2C2CC2)C1 ZINC001031873169 779655674 /nfs/dbraw/zinc/65/56/74/779655674.db2.gz NEQWXEKVUPOUSX-IAGOWNOFSA-N 0 1 290.451 2.827 20 30 CFEDMN C=CCN1CC(CNC(=O)c2coc3cc(C)c(C)cc23)C1 ZINC001031877755 779657343 /nfs/dbraw/zinc/65/73/43/779657343.db2.gz ZGZIEMMLJOBAFR-UHFFFAOYSA-N 0 1 298.386 2.897 20 30 CFEDMN C=C(C)CN1CC(CNC(=O)c2c(C)cc(F)cc2C)C1 ZINC001031893330 779662115 /nfs/dbraw/zinc/66/21/15/779662115.db2.gz QVPMPLHDGZGRCZ-UHFFFAOYSA-N 0 1 290.382 2.680 20 30 CFEDMN C[C@H]1CCN(Cc2ccnc(C#N)c2)CCC1(F)F ZINC001237459988 779688570 /nfs/dbraw/zinc/68/85/70/779688570.db2.gz YHKVDRKGDCGTHU-NSHDSACASA-N 0 1 265.307 2.820 20 30 CFEDMN C=CCCC(=O)NCCNCc1cc(OC)ccc1Cl ZINC001124640688 779698979 /nfs/dbraw/zinc/69/89/79/779698979.db2.gz NWRJNFULFRUQKQ-UHFFFAOYSA-N 0 1 296.798 2.521 20 30 CFEDMN C=CCN1CC(CNC(=O)c2ccc(C)c3ccccc23)C1 ZINC001032011499 779710309 /nfs/dbraw/zinc/71/03/09/779710309.db2.gz JENAYDDJERCFHB-UHFFFAOYSA-N 0 1 294.398 2.996 20 30 CFEDMN C=C(C)CN1CC(CNC(=O)[C@@H]2CCCC[C@H]2CC)C1 ZINC001032088348 779733134 /nfs/dbraw/zinc/73/31/34/779733134.db2.gz HPERYLAFOXOBOQ-HZPDHXFCSA-N 0 1 278.440 2.827 20 30 CFEDMN C=C(Cl)CN[C@H]1CN(C(=O)c2ccoc2C)CC1(C)C ZINC000995419216 779742829 /nfs/dbraw/zinc/74/28/29/779742829.db2.gz YRJLMHOWDZNGER-ZDUSSCGKSA-N 0 1 296.798 2.781 20 30 CFEDMN C=CCN1CC(CNC(=O)c2ccc(C(C)(C)C)cc2)C1 ZINC001032147048 779747290 /nfs/dbraw/zinc/74/72/90/779747290.db2.gz PBJHCWCLFSNUJJ-UHFFFAOYSA-N 0 1 286.419 2.832 20 30 CFEDMN C[C@@H]1CC[C@H](CO)CN1Cc1ccc(Cl)c(C#N)c1 ZINC001238190036 779760608 /nfs/dbraw/zinc/76/06/08/779760608.db2.gz ZYVPOOMBCWOZDZ-YPMHNXCESA-N 0 1 278.783 2.804 20 30 CFEDMN C=C(C)CC[N@H+]1CCO[C@](C)(CNC(=O)[C@@H](C)CCC)C1 ZINC001107823496 779904803 /nfs/dbraw/zinc/90/48/03/779904803.db2.gz ONRWOABUHBROEW-DOTOQJQBSA-N 0 1 296.455 2.596 20 30 CFEDMN C=C(C)CCN1CCO[C@](C)(CNC(=O)[C@@H](C)CCC)C1 ZINC001107823496 779904808 /nfs/dbraw/zinc/90/48/08/779904808.db2.gz ONRWOABUHBROEW-DOTOQJQBSA-N 0 1 296.455 2.596 20 30 CFEDMN C=C(C)CN1C[C@@H]2C[C@H]1CN2C(=O)[C@H]1CCCC2(CC2)C1 ZINC001032404333 779932200 /nfs/dbraw/zinc/93/22/00/779932200.db2.gz XWKIMXMNZBWELE-JYJNAYRXSA-N 0 1 288.435 2.818 20 30 CFEDMN C[C@H]1CCC[C@H]1CC(=O)NCCNCC#Cc1ccccc1 ZINC001127929881 779943773 /nfs/dbraw/zinc/94/37/73/779943773.db2.gz XKVAKICTYSFOKO-WMZOPIPTSA-N 0 1 298.430 2.570 20 30 CFEDMN C=C(Cl)C(C)(C)C(=O)N1C[C@@H]2C[C@H]1C[N@@H+]2CCCC ZINC001032423000 779951126 /nfs/dbraw/zinc/95/11/26/779951126.db2.gz QOYXVDWPNYMYMO-STQMWFEESA-N 0 1 284.831 2.850 20 30 CFEDMN C=C(C)CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1cc(C)nc(C)c1 ZINC001032424654 779951914 /nfs/dbraw/zinc/95/19/14/779951914.db2.gz NAAWAIKAPVOVOM-IRXDYDNUSA-N 0 1 299.418 2.563 20 30 CFEDMN C=C(C)CCC(=O)NC[C@]1(C)CN(CCCCC)CCO1 ZINC001107976675 780051677 /nfs/dbraw/zinc/05/16/77/780051677.db2.gz SLDWISBBVKSHKX-QGZVFWFLSA-N 0 1 296.455 2.740 20 30 CFEDMN C=C(C)CN1C[C@@H]2C[C@H]1CN2C(=O)C[C@H]1CCCC1(F)F ZINC001032587124 780053503 /nfs/dbraw/zinc/05/35/03/780053503.db2.gz NFWYHAGUXMANIT-RDBSUJKOSA-N 0 1 298.377 2.673 20 30 CFEDMN COc1ccc([C@H]2C[C@@H](N(C)CCC#N)CCO2)cc1 ZINC001168628394 780121942 /nfs/dbraw/zinc/12/19/42/780121942.db2.gz DXERAVIAYOWXRH-GOEBONIOSA-N 0 1 274.364 2.761 20 30 CFEDMN Cc1cnc(C#N)c(C2=CCCN(Cc3ccccc3)C2)n1 ZINC001240386106 780129685 /nfs/dbraw/zinc/12/96/85/780129685.db2.gz AJBCIMRJMGHKPZ-UHFFFAOYSA-N 0 1 290.370 2.946 20 30 CFEDMN C=CCN1CC[C@H]2[C@@H]1CCCN2C(=O)c1cccs1 ZINC001049303288 780139636 /nfs/dbraw/zinc/13/96/36/780139636.db2.gz SBSRPFFJIAWAHP-STQMWFEESA-N 0 1 276.405 2.613 20 30 CFEDMN C=CCC(CC=C)C(=O)NCCNCC=C(Cl)Cl ZINC001128084911 780143516 /nfs/dbraw/zinc/14/35/16/780143516.db2.gz FZVQAWJTFCAAMG-UHFFFAOYSA-N 0 1 291.222 2.780 20 30 CFEDMN COc1ccc([C@@H]2C[C@H](N3CC[C@@H](C#N)C3)CCO2)cc1 ZINC001168658605 780212497 /nfs/dbraw/zinc/21/24/97/780212497.db2.gz APLCODXYPFZHNB-LXZKKBNFSA-N 0 1 286.375 2.761 20 30 CFEDMN C=C(C)CN1CC[C@@H](N(C)C(=O)c2ccc(C)s2)C1 ZINC001032874577 780492500 /nfs/dbraw/zinc/49/25/00/780492500.db2.gz SGBYKWYFUSRVOR-CYBMUJFWSA-N 0 1 278.421 2.779 20 30 CFEDMN C=CCN1CC[C@@H](N(C)C(=O)c2csc(C)c2C)C1 ZINC001033107480 780566152 /nfs/dbraw/zinc/56/61/52/780566152.db2.gz MXERBEBELDQKAC-CYBMUJFWSA-N 0 1 278.421 2.697 20 30 CFEDMN COC(=O)c1cc(C#N)ccc1-c1c(F)cc(O)cc1F ZINC001241120325 780648441 /nfs/dbraw/zinc/64/84/41/780648441.db2.gz ZSAIXUXSNJEVOH-UHFFFAOYSA-N 0 1 289.237 2.996 20 30 CFEDMN C#CCCN1CC[C@H](N(C)C(=O)c2occc2C(C)C)C1 ZINC001033355580 780666190 /nfs/dbraw/zinc/66/61/90/780666190.db2.gz LOLWXJPEBNEJQI-AWEZNQCLSA-N 0 1 288.391 2.573 20 30 CFEDMN C=CCN1CC[C@@H](N(C)C(=O)[C@H](C)c2cccs2)C1 ZINC001033415597 780676700 /nfs/dbraw/zinc/67/67/00/780676700.db2.gz GDMLODCXUUROJY-CHWSQXEVSA-N 0 1 278.421 2.570 20 30 CFEDMN C=CCN1CC[C@H](N(C)C(=O)C23CCC(CC2)C3(C)C)C1 ZINC001033488689 780694194 /nfs/dbraw/zinc/69/41/94/780694194.db2.gz XRAHOJRVTGFNMT-CSLYMUCUSA-N 0 1 290.451 2.922 20 30 CFEDMN C=CCN1CC[C@H](N(C)C(=O)c2ccc3ccn(C)c3c2)C1 ZINC001033555416 780713392 /nfs/dbraw/zinc/71/33/92/780713392.db2.gz PLDIKOOSLCNQMR-INIZCTEOSA-N 0 1 297.402 2.511 20 30 CFEDMN C=CCN1CC[C@H](N(C)C(=O)c2ccc3ccncc3c2)C1 ZINC001033557433 780713869 /nfs/dbraw/zinc/71/38/69/780713869.db2.gz LIMXBMOJFDVOCM-KRWDZBQOSA-N 0 1 295.386 2.567 20 30 CFEDMN CC#CCN1CC[C@@H](N(C)C(=O)[C@@H](C)c2ccc(C)cc2)C1 ZINC001033589160 780719575 /nfs/dbraw/zinc/71/95/75/780719575.db2.gz JLITVOWVSJZVRA-FUHWJXTLSA-N 0 1 298.430 2.655 20 30 CFEDMN C=CCN1CC[C@H](N(C)C(=O)c2cc3[nH]ccc3s2)C1 ZINC001033625942 780733697 /nfs/dbraw/zinc/73/36/97/780733697.db2.gz WKMIGOLXCFJOLT-NSHDSACASA-N 0 1 289.404 2.562 20 30 CFEDMN C#CCN1CC[C@H](N(C)C(=O)c2ccc(CC(C)C)cc2)C1 ZINC001033646645 780737821 /nfs/dbraw/zinc/73/78/21/780737821.db2.gz QJWRVDLDIWQZMH-SFHVURJKSA-N 0 1 298.430 2.665 20 30 CFEDMN C=CCN1CC[C@H](N(C)C(=O)[C@H]2CCCCC2(C)C)C1 ZINC001033690383 780754764 /nfs/dbraw/zinc/75/47/64/780754764.db2.gz JAVAPUKFLLOXQF-LSDHHAIUSA-N 0 1 278.440 2.922 20 30 CFEDMN C#CCN1CC[C@@H](N(C)C(=O)CC2CCC(C)(C)CC2)C1 ZINC001033722685 780757456 /nfs/dbraw/zinc/75/74/56/780757456.db2.gz LLOOZVDXQVTPLC-MRXNPFEDSA-N 0 1 290.451 2.759 20 30 CFEDMN C=CCN1CC[C@H](N(C)C(=O)c2coc3ccccc32)C1 ZINC001033709868 780757575 /nfs/dbraw/zinc/75/75/75/780757575.db2.gz KWQMQUJWWQGJSA-ZDUSSCGKSA-N 0 1 284.359 2.765 20 30 CFEDMN C=CCN1CC[C@@H](N(CC)C(=O)c2cccc(C)c2)C1 ZINC001033732181 780767046 /nfs/dbraw/zinc/76/70/46/780767046.db2.gz HQOXCBMIUUAJTE-MRXNPFEDSA-N 0 1 272.392 2.717 20 30 CFEDMN C=CCN1CC[C@@H](N(CC)C(=O)c2cccc(F)c2)C1 ZINC001033732777 780767316 /nfs/dbraw/zinc/76/73/16/780767316.db2.gz MKKOBHALKJCTSY-OAHLLOKOSA-N 0 1 276.355 2.548 20 30 CFEDMN C=C(C)C[N@@H+]1CC[C@@H](N(CC)C(=O)c2ccncc2C)C1 ZINC001033824602 780797437 /nfs/dbraw/zinc/79/74/37/780797437.db2.gz DTAMGJKHIQPQBY-OAHLLOKOSA-N 0 1 287.407 2.503 20 30 CFEDMN C=CC[N@@H+]1CC[C@H](N(CC)C(=O)[C@@H]2CCCC23CC3)C1 ZINC001033869051 780812063 /nfs/dbraw/zinc/81/20/63/780812063.db2.gz KKYXRKSYMAYRHL-GJZGRUSLSA-N 0 1 276.424 2.676 20 30 CFEDMN C=CCN1CC[C@H](N(CC)C(=O)[C@@H]2CCCC23CC3)C1 ZINC001033869051 780812070 /nfs/dbraw/zinc/81/20/70/780812070.db2.gz KKYXRKSYMAYRHL-GJZGRUSLSA-N 0 1 276.424 2.676 20 30 CFEDMN C#CCN1CC[C@H](N(CC)C(=O)[C@H]2CCC=CCCC2)C1 ZINC001033874025 780814488 /nfs/dbraw/zinc/81/44/88/780814488.db2.gz UIHKGEZVQAPGBM-IRXDYDNUSA-N 0 1 288.435 2.679 20 30 CFEDMN C=CCN1CC[C@H](N(CC)C(=O)[C@@H]2CC[C@@H]3C[C@@H]3CC2)C1 ZINC001033909745 780823890 /nfs/dbraw/zinc/82/38/90/780823890.db2.gz ZVMLAUSFGPMBFB-NXOAAHMSSA-N 0 1 290.451 2.922 20 30 CFEDMN CC#CCN1CC[C@@H](N(CC)C(=O)c2ccccc2CC)C1 ZINC001033933201 780831082 /nfs/dbraw/zinc/83/10/82/780831082.db2.gz CCEJISYMVXNWTR-QGZVFWFLSA-N 0 1 298.430 2.809 20 30 CFEDMN C=C1CCC(C(=O)N(CC)[C@H]2CCN(CC#CC)C2)CC1 ZINC001033951416 780836258 /nfs/dbraw/zinc/83/62/58/780836258.db2.gz VNGDSESDVSSQKT-KRWDZBQOSA-N 0 1 288.435 2.679 20 30 CFEDMN C=CCN1CC[C@H](N(CC)C(=O)c2cc3ccccn3c2)C1 ZINC001033976789 780845542 /nfs/dbraw/zinc/84/55/42/780845542.db2.gz MGVQMDFZOMEMDN-KRWDZBQOSA-N 0 1 297.402 2.662 20 30 CFEDMN C=CC[N@@H+]1CC[C@H](N(CC)C(=O)C2Cc3ccccc3C2)C1 ZINC001033964704 780846683 /nfs/dbraw/zinc/84/66/83/780846683.db2.gz LHNDGBLRSRHWGB-SFHVURJKSA-N 0 1 298.430 2.510 20 30 CFEDMN C=CCN1CC[C@H](N(CC)C(=O)C2Cc3ccccc3C2)C1 ZINC001033964704 780846693 /nfs/dbraw/zinc/84/66/93/780846693.db2.gz LHNDGBLRSRHWGB-SFHVURJKSA-N 0 1 298.430 2.510 20 30 CFEDMN CC(=O)[C@H]1CCCN(Cc2ccc(C)c(C#N)c2)C1 ZINC000701840353 780849430 /nfs/dbraw/zinc/84/94/30/780849430.db2.gz JFFMWAOXGWFEAT-HNNXBMFYSA-N 0 1 256.349 2.668 20 30 CFEDMN CC#CCN1CC[C@@H](N(CC)C(=O)c2csc(C)c2)C1 ZINC001033991512 780851020 /nfs/dbraw/zinc/85/10/20/780851020.db2.gz JXLHKHDKXXPXLW-OAHLLOKOSA-N 0 1 290.432 2.616 20 30 CFEDMN C=CCN1CC[C@H](N(CC)C(=O)c2ccc(C3CC3)cn2)C1 ZINC001034034521 780862716 /nfs/dbraw/zinc/86/27/16/780862716.db2.gz FYMIPJNQMQFQTN-INIZCTEOSA-N 0 1 299.418 2.681 20 30 CFEDMN C=CC[N@@H+]1CC[C@H](N(CC)C(=O)c2ccc(CF)cc2)C1 ZINC001034052013 780864124 /nfs/dbraw/zinc/86/41/24/780864124.db2.gz DRPMARWDLHLVLS-INIZCTEOSA-N 0 1 290.382 2.879 20 30 CFEDMN C=CCN1CC[C@H](N(CC)C(=O)c2ccc(CF)cc2)C1 ZINC001034052013 780864134 /nfs/dbraw/zinc/86/41/34/780864134.db2.gz DRPMARWDLHLVLS-INIZCTEOSA-N 0 1 290.382 2.879 20 30 CFEDMN CC#CCN1CCCC[C@H](NC(=O)C2CCCCC2)C1 ZINC001034085279 780882367 /nfs/dbraw/zinc/88/23/67/780882367.db2.gz HLGADJCURSDRCI-INIZCTEOSA-N 0 1 276.424 2.561 20 30 CFEDMN C=CCN1CCCC[C@@H](NC(=O)c2ccccc2F)C1 ZINC001034073486 780882714 /nfs/dbraw/zinc/88/27/14/780882714.db2.gz JTCCTIUEDRCCIC-CYBMUJFWSA-N 0 1 276.355 2.596 20 30 CFEDMN C#C[C@H](NCc1nn(C)c2ccccc12)C(C)(C)C ZINC000702314352 780904767 /nfs/dbraw/zinc/90/47/67/780904767.db2.gz LGGBFACRIQBUEO-HNNXBMFYSA-N 0 1 255.365 2.711 20 30 CFEDMN C=CCN1CCCC[C@H](NC(=O)c2ccoc2C2CC2)C1 ZINC001034367388 780954874 /nfs/dbraw/zinc/95/48/74/780954874.db2.gz MRLOIXHRQRLBPL-AWEZNQCLSA-N 0 1 288.391 2.927 20 30 CFEDMN C#CCN1CCCC[C@H](NC(=O)CC2CCCCCC2)C1 ZINC001034417962 780972841 /nfs/dbraw/zinc/97/28/41/780972841.db2.gz YOIDYGDDSURECA-KRWDZBQOSA-N 0 1 290.451 2.951 20 30 CFEDMN C=CC[N@@H+]1CCCC[C@H](NC(=O)c2csc(C)c2)C1 ZINC001034449524 780977640 /nfs/dbraw/zinc/97/76/40/780977640.db2.gz VLGYORPSSOUMDP-AWEZNQCLSA-N 0 1 278.421 2.827 20 30 CFEDMN C=CCN1CCCC[C@H](NC(=O)c2csc(C)c2)C1 ZINC001034449524 780977645 /nfs/dbraw/zinc/97/76/45/780977645.db2.gz VLGYORPSSOUMDP-AWEZNQCLSA-N 0 1 278.421 2.827 20 30 CFEDMN C#CCN1CCCC[C@H](NC(=O)[C@@H]2CCCC(C)(C)C2)C1 ZINC001034546869 780997372 /nfs/dbraw/zinc/99/73/72/780997372.db2.gz MWMFVSHNNLFCCG-CVEARBPZSA-N 0 1 290.451 2.807 20 30 CFEDMN Cc1[nH]nc2cc(-c3nccc(C#N)c3F)ccc12 ZINC001241638649 781036910 /nfs/dbraw/zinc/03/69/10/781036910.db2.gz QYOCGCGJRDFPIG-UHFFFAOYSA-N 0 1 252.252 2.944 20 30 CFEDMN Cc1[nH]nc2cc(-c3ccc(C#N)c(F)n3)ccc12 ZINC001241638563 781037932 /nfs/dbraw/zinc/03/79/32/781037932.db2.gz HGKITDVEAJDSGX-UHFFFAOYSA-N 0 1 252.252 2.944 20 30 CFEDMN Cc1[nH]nc2cc(-c3cncc(F)c3C#N)ccc12 ZINC001241639716 781038667 /nfs/dbraw/zinc/03/86/67/781038667.db2.gz IRTUKPRRWXJFTP-UHFFFAOYSA-N 0 1 252.252 2.944 20 30 CFEDMN COC(=O)c1ccc(-c2ccc3c(C)[nH]nc3c2)c(C#N)n1 ZINC001241640325 781039552 /nfs/dbraw/zinc/03/95/52/781039552.db2.gz RBLMTVWNOAIJOA-UHFFFAOYSA-N 0 1 292.298 2.592 20 30 CFEDMN Cc1[nH]nc2ccc(-c3nnc(C)c(C)c3C#N)cc12 ZINC001241667147 781059833 /nfs/dbraw/zinc/05/98/33/781059833.db2.gz XNVDGSHSZAYAFJ-UHFFFAOYSA-N 0 1 263.304 2.817 20 30 CFEDMN COc1ncc(-c2ccc3n[nH]c(C)c3c2)cc1C#N ZINC001241668939 781062031 /nfs/dbraw/zinc/06/20/31/781062031.db2.gz PYFUTWINIXOZGT-UHFFFAOYSA-N 0 1 264.288 2.814 20 30 CFEDMN N#CCOc1ccc(-c2ccc3nc[nH]c3c2)nc1 ZINC001241691105 781074826 /nfs/dbraw/zinc/07/48/26/781074826.db2.gz IWBAMAZIZIYPPQ-UHFFFAOYSA-N 0 1 250.261 2.527 20 30 CFEDMN COc1ccc(-c2ccc3nc[nH]c3c2)nc1CC#N ZINC001241690813 781075012 /nfs/dbraw/zinc/07/50/12/781075012.db2.gz DGPXVUDRIWVJCA-UHFFFAOYSA-N 0 1 264.288 2.700 20 30 CFEDMN C#CCN1CCC(C)(NC(=O)[C@@H]2CCCC[C@H]2CC)CC1 ZINC001045607017 781082498 /nfs/dbraw/zinc/08/24/98/781082498.db2.gz PLBKNXXESVDBPS-HZPDHXFCSA-N 0 1 290.451 2.807 20 30 CFEDMN C=CCN1CC2(C1)CCN(C(=O)C(CC)CC)CC2 ZINC001035660119 781152416 /nfs/dbraw/zinc/15/24/16/781152416.db2.gz MSVCUYCWBIKQQE-UHFFFAOYSA-N 0 1 264.413 2.533 20 30 CFEDMN C#CCN1CC2(C1)CCN(C(=O)CCC1CCCC1)CC2 ZINC001035644038 781154848 /nfs/dbraw/zinc/15/48/48/781154848.db2.gz MPLFUFBJISAFMN-UHFFFAOYSA-N 0 1 288.435 2.514 20 30 CFEDMN C=CCN1CC2(C1)CCN(C(=O)[C@@H]1CCCC[C@H]1C)CC2 ZINC001035781263 781167401 /nfs/dbraw/zinc/16/74/01/781167401.db2.gz ORBNBJBFKMRARJ-HZPDHXFCSA-N 0 1 290.451 2.923 20 30 CFEDMN C=CCN1CC2(C1)CCN(C(=O)c1ccc(F)s1)CC2 ZINC001035860285 781180150 /nfs/dbraw/zinc/18/01/50/781180150.db2.gz YPEYWCYOPHAIMF-UHFFFAOYSA-N 0 1 294.395 2.611 20 30 CFEDMN C#Cc1cccc(-c2ccc3nc(C(=O)OC)[nH]c3c2)c1 ZINC001241919053 781181927 /nfs/dbraw/zinc/18/19/27/781181927.db2.gz AKSCPNKPIJBVTI-UHFFFAOYSA-N 0 1 276.295 2.998 20 30 CFEDMN N#Cc1c(C(F)(F)F)ccnc1-c1ccc2nn[nH]c2c1 ZINC001241938749 781191339 /nfs/dbraw/zinc/19/13/39/781191339.db2.gz SKXIIVMNPIFJJR-UHFFFAOYSA-N 0 1 289.220 2.910 20 30 CFEDMN N#Cc1cc2cc(-c3ccc4[nH]nnc4c3)ccc2[nH]1 ZINC001241940444 781194640 /nfs/dbraw/zinc/19/46/40/781194640.db2.gz GLEOFOGZDXADCT-UHFFFAOYSA-N 0 1 259.272 2.978 20 30 CFEDMN N#Cc1cc2cc(-c3ccc4nn[nH]c4c3)ccc2[nH]1 ZINC001241940444 781194644 /nfs/dbraw/zinc/19/46/44/781194644.db2.gz GLEOFOGZDXADCT-UHFFFAOYSA-N 0 1 259.272 2.978 20 30 CFEDMN N#CCc1cc(-c2ccc3[nH]nnc3c2)ccc1C#N ZINC001241940655 781194964 /nfs/dbraw/zinc/19/49/64/781194964.db2.gz MKQGQFFXOCMVBA-UHFFFAOYSA-N 0 1 259.272 2.563 20 30 CFEDMN N#CCc1cc(-c2ccc3nn[nH]c3c2)ccc1C#N ZINC001241940655 781194966 /nfs/dbraw/zinc/19/49/66/781194966.db2.gz MKQGQFFXOCMVBA-UHFFFAOYSA-N 0 1 259.272 2.563 20 30 CFEDMN COc1ccc(-c2ccc3[nH]nnc3c2)cc1CC#N ZINC001241942386 781196971 /nfs/dbraw/zinc/19/69/71/781196971.db2.gz REBKKFFNGIXFEV-UHFFFAOYSA-N 0 1 264.288 2.700 20 30 CFEDMN COc1ccc(-c2ccc3nn[nH]c3c2)cc1CC#N ZINC001241942386 781196976 /nfs/dbraw/zinc/19/69/76/781196976.db2.gz REBKKFFNGIXFEV-UHFFFAOYSA-N 0 1 264.288 2.700 20 30 CFEDMN C#CC1(O)CCN(Cc2ccc(C)cc2Cl)CC1 ZINC000708158902 781266177 /nfs/dbraw/zinc/26/61/77/781266177.db2.gz NBHVHCVFFSZPEM-UHFFFAOYSA-N 0 1 263.768 2.609 20 30 CFEDMN C#CC[N@H+](CCC(C)(C)C(=O)[O-])C1CCCCC1 ZINC000708492488 781290709 /nfs/dbraw/zinc/29/07/09/781290709.db2.gz KFEFRUVNFYJQPO-UHFFFAOYSA-N 0 1 251.370 2.755 20 30 CFEDMN C=C(Cl)CN1CC[C@@H]2CN(C(=O)c3ccoc3)CC[C@@H]21 ZINC001036643137 781342673 /nfs/dbraw/zinc/34/26/73/781342673.db2.gz BNYVDHJXIIROAT-OCCSQVGLSA-N 0 1 294.782 2.569 20 30 CFEDMN C=C(Cl)CN1CC[C@@H]2CN(C(=O)CC(C)C)CC[C@@H]21 ZINC001036627284 781346124 /nfs/dbraw/zinc/34/61/24/781346124.db2.gz KGDYGKGQIKWZIQ-KGLIPLIRSA-N 0 1 284.831 2.708 20 30 CFEDMN COc1cc2[nH]cnc2cc1-c1cncc(C#N)c1 ZINC001242273178 781355250 /nfs/dbraw/zinc/35/52/50/781355250.db2.gz RMSNRGVECLGQIJ-UHFFFAOYSA-N 0 1 250.261 2.505 20 30 CFEDMN C=C(Cl)CN1CC[C@H]2CN(C(=O)CC3CCC3)CC[C@@H]21 ZINC001036677492 781402590 /nfs/dbraw/zinc/40/25/90/781402590.db2.gz CJSBNFNCTXINPY-GJZGRUSLSA-N 0 1 296.842 2.852 20 30 CFEDMN N#Cc1cccc(CN2CCC[C@@H](CF)C2)c1F ZINC000711422915 781430516 /nfs/dbraw/zinc/43/05/16/781430516.db2.gz UMHZVWCOCDUVMQ-NSHDSACASA-N 0 1 250.292 2.879 20 30 CFEDMN N#Cc1cc(-c2ncc(-c3cccnc3)cn2)ccc1O ZINC001242562993 781601237 /nfs/dbraw/zinc/60/12/37/781601237.db2.gz MWZOIJFUVGFRIK-UHFFFAOYSA-N 0 1 274.283 2.783 20 30 CFEDMN C[NH+](C)Cc1c[nH]c2nccc(-c3ccc([O-])c(C#N)c3)c12 ZINC001242565901 781604704 /nfs/dbraw/zinc/60/47/04/781604704.db2.gz WOJNAZKFQQUVCS-UHFFFAOYSA-N 0 1 292.342 2.869 20 30 CFEDMN C=CCN1C[C@@H](C)[C@H](NC(=O)C2(C)CCCCCC2)C1 ZINC001079867703 781624339 /nfs/dbraw/zinc/62/43/39/781624339.db2.gz LQUBXOCYGWYGFM-HUUCEWRRSA-N 0 1 278.440 2.969 20 30 CFEDMN CC#CCN1C[C@@H](C)[C@H](NC(=O)[C@H](C)c2ccc(C)cc2)C1 ZINC001080802832 781679274 /nfs/dbraw/zinc/67/92/74/781679274.db2.gz BFFYDTRLCQEJTC-JFIYKMOQSA-N 0 1 298.430 2.558 20 30 CFEDMN ON=Cc1ccccc1-c1cnc(C(F)(F)F)nc1 ZINC001242663613 781681572 /nfs/dbraw/zinc/68/15/72/781681572.db2.gz KTRIHYPMNRIEHE-UHFFFAOYSA-N 0 1 267.210 2.971 20 30 CFEDMN [O-]/N=C/c1ccc(F)c(-c2ccc3c(c2)C[NH2+]C3)c1 ZINC001242677319 781693910 /nfs/dbraw/zinc/69/39/10/781693910.db2.gz YVRSTXBXMDDLGH-CNHKJKLMSA-N 0 1 256.280 2.904 20 30 CFEDMN Cc1cc(-c2cc(N3CCOCC3)ccn2)ccc1C#N ZINC001242765612 781749820 /nfs/dbraw/zinc/74/98/20/781749820.db2.gz OHSDFMFHVNZTPQ-UHFFFAOYSA-N 0 1 279.343 2.765 20 30 CFEDMN C=CCN1CC(C)(C)CC[C@H]1CNC(=O)CCCC(C)=O ZINC001098901196 781767653 /nfs/dbraw/zinc/76/76/53/781767653.db2.gz YZFISXSGSILGKL-HNNXBMFYSA-N 0 1 294.439 2.539 20 30 CFEDMN C=CCN1CC[C@@H]2CN(C(=O)CC3=CCCCC3)[C@@H]2C1 ZINC001084234944 781782498 /nfs/dbraw/zinc/78/24/98/781782498.db2.gz JTMJMVXAQRNRAT-HZPDHXFCSA-N 0 1 274.408 2.596 20 30 CFEDMN C=C(C)C[N@@H+]1CC[C@@H]2CN(C(=O)[C@H](C)C(C)(C)C)[C@@H]2C1 ZINC001084453444 781795548 /nfs/dbraw/zinc/79/55/48/781795548.db2.gz OCZUPIICOCCPIO-RRFJBIMHSA-N 0 1 278.440 2.777 20 30 CFEDMN C=CCN1CC(C)(C)CC[C@H]1CNC(=O)[C@@H](C)SC ZINC001098920891 781842733 /nfs/dbraw/zinc/84/27/33/781842733.db2.gz DHPBBKYUKFCYPM-OLZOCXBDSA-N 0 1 284.469 2.531 20 30 CFEDMN C=CCN1CC[C@@H]2CN(C(=O)[C@H](C=C)c3ccccc3)[C@@H]2C1 ZINC001084846072 781848201 /nfs/dbraw/zinc/84/82/01/781848201.db2.gz RPNVKOZOMOVQKN-KZNAEPCWSA-N 0 1 296.414 2.675 20 30 CFEDMN C=CCN1CC[C@@H]2CN(C(=O)c3ccoc3C(C)C)[C@@H]2C1 ZINC001084860488 781849070 /nfs/dbraw/zinc/84/90/70/781849070.db2.gz SDEGSGZNZAZZHC-UKRRQHHQSA-N 0 1 288.391 2.735 20 30 CFEDMN C#CCN(Cc1cc(OC)c(OCC)c(OC)c1)C(C)C ZINC001120071618 781905051 /nfs/dbraw/zinc/90/50/51/781905051.db2.gz VRAVIXSOAWQDIP-UHFFFAOYSA-N 0 1 291.391 2.946 20 30 CFEDMN Cc1cc(CNCc2ccc(C(C)(C)C#N)cc2)ncn1 ZINC000594505704 349433673 /nfs/dbraw/zinc/43/36/73/349433673.db2.gz WKQMONBTPGHJQF-UHFFFAOYSA-N 0 1 280.375 2.876 20 30 CFEDMN C[C@H](NC1(c2ccc(C#N)cc2)CCC1)c1ccc(=O)[nH]n1 ZINC000594518317 349440104 /nfs/dbraw/zinc/44/01/04/349440104.db2.gz OPRRPYSEMVOAGE-LBPRGKRZSA-N 0 1 294.358 2.784 20 30 CFEDMN N#Cc1ccc(C2(NCc3ccc(CO)o3)CCC2)cc1 ZINC000594521338 349441156 /nfs/dbraw/zinc/44/11/56/349441156.db2.gz UKYPIRSNGGYSOW-UHFFFAOYSA-N 0 1 282.343 2.813 20 30 CFEDMN N#CCC1CN(C[C@@H](O)Cc2ccc3ccccc3c2)C1 ZINC000594716727 349479077 /nfs/dbraw/zinc/47/90/77/349479077.db2.gz UQMNOHOVQBXRRD-SFHVURJKSA-N 0 1 280.371 2.589 20 30 CFEDMN C[C@H](N[C@@H]1CCCn2nccc21)c1ccc(C#N)cc1 ZINC000595008108 349546089 /nfs/dbraw/zinc/54/60/89/349546089.db2.gz QJMKOKISKMWFHA-SWLSCSKDSA-N 0 1 266.348 2.940 20 30 CFEDMN Cn1ncc(C2CC2)c1CN[C@@H]1CCc2ccc(C#N)cc21 ZINC000595076722 349575598 /nfs/dbraw/zinc/57/55/98/349575598.db2.gz IHWNXZMJEDHWRD-QGZVFWFLSA-N 0 1 292.386 2.946 20 30 CFEDMN CN1CCN([C@@H](C#N)c2ccc(Cl)cc2)CC1(C)C ZINC000595470056 349636956 /nfs/dbraw/zinc/63/69/56/349636956.db2.gz LLAHMRJLOJOULV-AWEZNQCLSA-N 0 1 277.799 2.931 20 30 CFEDMN CC[C@@H](C)c1nc([C@@H](C)Nc2ncc(C#N)cc2F)n[nH]1 ZINC000413268986 529431686 /nfs/dbraw/zinc/43/16/86/529431686.db2.gz SSINNCRIOQPAGT-RKDXNWHRSA-N 0 1 288.330 2.897 20 30 CFEDMN C[C@H]1CN(CCc2ccc(C#N)cc2)C2(CCC2)CO1 ZINC000595562237 349660468 /nfs/dbraw/zinc/66/04/68/349660468.db2.gz GTOPPPGLDVDFJD-AWEZNQCLSA-N 0 1 270.376 2.744 20 30 CFEDMN CN(C(=O)CN1C[C@@H]2CCCC[C@@H]21)C1(C#N)CCCCC1 ZINC000595563799 349661613 /nfs/dbraw/zinc/66/16/13/349661613.db2.gz WMNWPYMBLZPYGE-GJZGRUSLSA-N 0 1 289.423 2.546 20 30 CFEDMN CN(Cc1ccccc1C#N)[C@H](CO)Cc1ccccc1 ZINC000595593726 349667856 /nfs/dbraw/zinc/66/78/56/349667856.db2.gz YSSLFFXEPASNKT-SFHVURJKSA-N 0 1 280.371 2.594 20 30 CFEDMN N#CC[C@H]1CCCN(CCOc2ccc([N+](=O)[O-])cc2)C1 ZINC000595613380 349676156 /nfs/dbraw/zinc/67/61/56/349676156.db2.gz CMCWPKVJVNRMFT-CYBMUJFWSA-N 0 1 289.335 2.599 20 30 CFEDMN CC1CCN(C(=O)CNC(C)(C)c2cccc(C#N)c2)CC1 ZINC000595637312 349684723 /nfs/dbraw/zinc/68/47/23/349684723.db2.gz WXPDRVKHJSGZPD-UHFFFAOYSA-N 0 1 299.418 2.641 20 30 CFEDMN CCCCCNC(=O)CNC(C)(C)c1cccc(C#N)c1 ZINC000595641256 349686799 /nfs/dbraw/zinc/68/67/99/349686799.db2.gz GQXKUDHLXCPUSW-UHFFFAOYSA-N 0 1 287.407 2.689 20 30 CFEDMN N#CC[C@@H]1CCCN(CCc2nc3ccccc3c(=O)[nH]2)C1 ZINC000595619642 349679513 /nfs/dbraw/zinc/67/95/13/349679513.db2.gz DWMVMXBVNZZVPM-ZDUSSCGKSA-N 0 1 296.374 2.504 20 30 CFEDMN CC(C)(C)CN1CCC[C@H](N2CCC[C@@H](CC#N)C2)C1=O ZINC000595620020 349679819 /nfs/dbraw/zinc/67/98/19/349679819.db2.gz JRKAVDCEYLITDN-GJZGRUSLSA-N 0 1 291.439 2.649 20 30 CFEDMN C=CC[C@H]1CCCN(CC(=O)Nc2cccc(C#N)c2)C1 ZINC000595658076 349692009 /nfs/dbraw/zinc/69/20/09/349692009.db2.gz FMLPRAHLHVYZLW-AWEZNQCLSA-N 0 1 283.375 2.785 20 30 CFEDMN C=CC[C@H]1CCCN(CC(=O)NC2(C#N)CCCCC2)C1 ZINC000595661319 349693628 /nfs/dbraw/zinc/69/36/28/349693628.db2.gz YNZRSGADOJMUFW-HNNXBMFYSA-N 0 1 289.423 2.617 20 30 CFEDMN CCC1(CC)CCCN([C@@H](C(N)=O)c2ccc(C#N)cc2)C1 ZINC000595753756 349723602 /nfs/dbraw/zinc/72/36/02/349723602.db2.gz XRJNNKOENYUKDW-MRXNPFEDSA-N 0 1 299.418 2.987 20 30 CFEDMN C[C@H](C(=O)N(CCC#N)c1ccccc1)N1CC[C@H]2C[C@H]2C1 ZINC000595807829 349736920 /nfs/dbraw/zinc/73/69/20/349736920.db2.gz AYWLNJXRQRWUTM-PMPSAXMXSA-N 0 1 297.402 2.664 20 30 CFEDMN COc1cc(C#N)ccc1CN1CCC(c2ccon2)CC1 ZINC000595829612 349744606 /nfs/dbraw/zinc/74/46/06/349744606.db2.gz WTJFGBKHDOGKOC-UHFFFAOYSA-N 0 1 297.358 2.934 20 30 CFEDMN C[C@H](O)[C@H]1CCCN1Cc1ccc(C#N)cc1Cl ZINC000595765931 349727612 /nfs/dbraw/zinc/72/76/12/349727612.db2.gz LZAYNELFQNSUSY-IINYFYTJSA-N 0 1 264.756 2.557 20 30 CFEDMN CN(CCCN1CC[C@](C)(C#N)C1)c1ccccc1 ZINC000595840444 349751342 /nfs/dbraw/zinc/75/13/42/349751342.db2.gz BODLOGJGXCYYQT-MRXNPFEDSA-N 0 1 257.381 2.748 20 30 CFEDMN CO[C@@H](CN1CC[C@](C)(C#N)C1)C1CCCCC1 ZINC000595841546 349751362 /nfs/dbraw/zinc/75/13/62/349751362.db2.gz MAOZXQSQFXDNDZ-LSDHHAIUSA-N 0 1 250.386 2.817 20 30 CFEDMN CO[C@@H](CN1CC[C@@](C)(C#N)C1)C1CCCCC1 ZINC000595841544 349751455 /nfs/dbraw/zinc/75/14/55/349751455.db2.gz MAOZXQSQFXDNDZ-GJZGRUSLSA-N 0 1 250.386 2.817 20 30 CFEDMN COCC[C@@H](c1ccccc1)N1CC[C@](C)(C#N)C1 ZINC000595842865 349752886 /nfs/dbraw/zinc/75/28/86/349752886.db2.gz HWORXODKKZCMNZ-JKSUJKDBSA-N 0 1 258.365 3.000 20 30 CFEDMN CC(C)(C)C(=O)N1CCC[C@H](CN2CC[C@](C)(C#N)C2)C1 ZINC000595842603 349753098 /nfs/dbraw/zinc/75/30/98/349753098.db2.gz TZUXHNPJTHGAQK-RHSMWYFYSA-N 0 1 291.439 2.507 20 30 CFEDMN C=C1C[C@H]2CC[C@@H](C1)N2CC(=O)Nc1ccc(C#N)cc1 ZINC000595845463 349753887 /nfs/dbraw/zinc/75/38/87/349753887.db2.gz ORLBDYPVMTZARS-IYBDPMFKSA-N 0 1 281.359 2.680 20 30 CFEDMN Cc1c(Cl)cnc(N2CCCc3[nH]ncc3C2)c1C#N ZINC000596003991 349775507 /nfs/dbraw/zinc/77/55/07/349775507.db2.gz WMDSJUNLJCXQNM-UHFFFAOYSA-N 0 1 287.754 2.591 20 30 CFEDMN Cc1ccc(C#N)nc1NCCN1CCc2sccc2C1 ZINC000596090033 349792215 /nfs/dbraw/zinc/79/22/15/349792215.db2.gz UIJZNEPCPNJYIL-UHFFFAOYSA-N 0 1 298.415 2.793 20 30 CFEDMN CC[C@H](N[C@H]1CC[C@H](C#N)C1)c1nnc2n1CCCCC2 ZINC000333102527 529672349 /nfs/dbraw/zinc/67/23/49/529672349.db2.gz QCZWENTZGSJJHZ-IHRRRGAJSA-N 0 1 287.411 2.737 20 30 CFEDMN CCn1nccc1CN[C@@H]1CCc2ccc(C#N)cc21 ZINC000596094829 349793568 /nfs/dbraw/zinc/79/35/68/349793568.db2.gz MQFPGINMWJCRCS-MRXNPFEDSA-N 0 1 266.348 2.552 20 30 CFEDMN CC[C@H]1CCCC[N@H+]1CCN=c1[n-]c(C#N)c(Cl)s1 ZINC000596126088 349800571 /nfs/dbraw/zinc/80/05/71/349800571.db2.gz JHLRRLKDKPCKKP-JTQLQIEISA-N 0 1 298.843 2.766 20 30 CFEDMN CC[N@H+]1CC[C@@H](N(C)c2nc(C#N)c(Cl)s2)C[C@@H]1C ZINC000596136379 349803671 /nfs/dbraw/zinc/80/36/71/349803671.db2.gz TZCKCGRSAHXFJM-VHSXEESVSA-N 0 1 298.843 2.977 20 30 CFEDMN CC[N@H+]1CC[C@@H](N(C)c2nc(C#N)c(Cl)s2)[C@H](C)C1 ZINC000596135844 349803888 /nfs/dbraw/zinc/80/38/88/349803888.db2.gz BVFYJVSRPCUBPF-MWLCHTKSSA-N 0 1 298.843 2.835 20 30 CFEDMN CN(CCC#N)C1CCN(c2cccc(F)c2)CC1 ZINC000072826516 346942868 /nfs/dbraw/zinc/94/28/68/346942868.db2.gz VZSZRLVWEIWMCB-UHFFFAOYSA-N 0 1 261.344 2.640 20 30 CFEDMN CCc1nc(CNc2cccc(Cl)c2C#N)n[nH]1 ZINC000295010549 199298477 /nfs/dbraw/zinc/29/84/77/199298477.db2.gz SVFFXIHNCBMCGB-UHFFFAOYSA-N 0 1 261.716 2.504 20 30 CFEDMN Cn1cc(CCN2CCC[C@H]2[C@@H](C#N)c2ccccc2)cn1 ZINC000072898138 346947804 /nfs/dbraw/zinc/94/78/04/346947804.db2.gz KPOZNOHRCIIZTJ-ROUUACIJSA-N 0 1 294.402 2.734 20 30 CFEDMN Cc1ccc(C#N)nc1N[C@@H]1CN(C)Cc2ccccc21 ZINC000596175089 349817926 /nfs/dbraw/zinc/81/79/26/349817926.db2.gz LJUSWADLQRHAMN-MRXNPFEDSA-N 0 1 278.359 2.860 20 30 CFEDMN C=CCOc1cccc(CN[C@H]2c3ccccc3C[C@@H]2O)c1 ZINC000119192337 539345038 /nfs/dbraw/zinc/34/50/38/539345038.db2.gz PKDLVUHOZRCDIJ-OALUTQOASA-N 0 1 295.382 2.999 20 30 CFEDMN C[C@H]1CN(c2nc(C#N)c(Cl)s2)CC[N@H+](C2CC2)C1 ZINC000596255031 349841753 /nfs/dbraw/zinc/84/17/53/349841753.db2.gz IROHCUXBJQLNJJ-SECBINFHSA-N 0 1 296.827 2.589 20 30 CFEDMN Cc1nn(C)cc1[C@@H](C)N[C@@H]1CCc2ccc(C#N)cc21 ZINC000335661692 282299520 /nfs/dbraw/zinc/29/95/20/282299520.db2.gz RGZWTGDOSKJSGY-PIGZYNQJSA-N 0 1 280.375 2.938 20 30 CFEDMN C#CCCCN[C@H](C)c1nc(-c2cccc(F)c2)no1 ZINC000273268094 192093762 /nfs/dbraw/zinc/09/37/62/192093762.db2.gz FUKCWNOTNYAGNO-LLVKDONJSA-N 0 1 273.311 2.940 20 30 CFEDMN Cc1ccc(C(=O)C(C#N)c2nc3ccccc3o2)n1C ZINC000041543003 346352476 /nfs/dbraw/zinc/35/24/76/346352476.db2.gz MEPDMKLKAOPFTD-NSHDSACASA-N 0 1 279.299 2.965 20 30 CFEDMN Cc1ccc(C(=O)[C@H](C#N)c2nc3ccccc3o2)n1C ZINC000041543003 346352478 /nfs/dbraw/zinc/35/24/78/346352478.db2.gz MEPDMKLKAOPFTD-NSHDSACASA-N 0 1 279.299 2.965 20 30 CFEDMN Cc1ccc(C(O)=C(C#N)c2nc3ccccc3o2)n1C ZINC000041543003 346352479 /nfs/dbraw/zinc/35/24/79/346352479.db2.gz MEPDMKLKAOPFTD-NSHDSACASA-N 0 1 279.299 2.965 20 30 CFEDMN Cc1ccc(C(=O)C(C#N)c2cc(C)nc(C)n2)s1 ZINC000041574333 346353312 /nfs/dbraw/zinc/35/33/12/346353312.db2.gz LGNCPPGSIUSRJB-NSHDSACASA-N 0 1 271.345 2.953 20 30 CFEDMN N#Cc1ccccc1N1CCCN(C/C=C/Cl)CC1 ZINC000046086784 346419832 /nfs/dbraw/zinc/41/98/32/346419832.db2.gz ILQHMQGARRRGDQ-XVNBXDOJSA-N 0 1 275.783 2.823 20 30 CFEDMN C=C(C)CN(CC)C(=O)CN(C)CCCc1ccccc1 ZINC000046087640 346419981 /nfs/dbraw/zinc/41/99/81/346419981.db2.gz FSDMCJCZKRXDCB-UHFFFAOYSA-N 0 1 288.435 2.976 20 30 CFEDMN CCCN(CC(=O)N1CCCCC1)Cc1ccc(C#N)cc1 ZINC000047740200 346458207 /nfs/dbraw/zinc/45/82/07/346458207.db2.gz ADFLXDAYGDZGTC-UHFFFAOYSA-N 0 1 299.418 2.783 20 30 CFEDMN C=CCN(CC=C)C(=O)CN(CC)CCc1ccccc1 ZINC000051923718 346508561 /nfs/dbraw/zinc/50/85/61/346508561.db2.gz FYBCCSKBDHZAQQ-UHFFFAOYSA-N 0 1 286.419 2.752 20 30 CFEDMN Cc1noc(C2CCN(Cc3ccc(C#N)cc3)CC2)n1 ZINC000054679278 346574889 /nfs/dbraw/zinc/57/48/89/346574889.db2.gz XJKXXKYCSBNCKX-UHFFFAOYSA-N 0 1 282.347 2.629 20 30 CFEDMN C=CCN(Cc1ccccc1)C(=O)c1cc(C)[nH]n1 ZINC000056916455 346615323 /nfs/dbraw/zinc/61/53/23/346615323.db2.gz AJYKIFKJATWAKC-UHFFFAOYSA-N 0 1 255.321 2.547 20 30 CFEDMN C=CCNC(=O)N1CCC[C@H]1c1nc2ccc(C)cc2[nH]1 ZINC000061794238 346684012 /nfs/dbraw/zinc/68/40/12/346684012.db2.gz XEAAKPOTKDNVES-AWEZNQCLSA-N 0 1 284.363 2.904 20 30 CFEDMN C=CCNC(=O)CN1CCC[C@H]1c1ccc(OCC)cc1 ZINC000061801801 346684202 /nfs/dbraw/zinc/68/42/02/346684202.db2.gz JNIJIHREOARBKO-INIZCTEOSA-N 0 1 288.391 2.524 20 30 CFEDMN C=C(C)CN(CC)CC(=O)N(C)Cc1ccccc1F ZINC000066560240 346768068 /nfs/dbraw/zinc/76/80/68/346768068.db2.gz YEZVHYNTPKZAGN-UHFFFAOYSA-N 0 1 278.371 2.682 20 30 CFEDMN C=C(C)CN(CC)CC(=O)NCCC1=CCCCC1 ZINC000066560073 346768089 /nfs/dbraw/zinc/76/80/89/346768089.db2.gz JXCVCIHKKFETDX-UHFFFAOYSA-N 0 1 264.413 2.891 20 30 CFEDMN C#CCN1CCC(C(=O)N(C)c2cc(C)ccc2C)CC1 ZINC000067210833 346794656 /nfs/dbraw/zinc/79/46/56/346794656.db2.gz RCJKMTUNGAHMHE-UHFFFAOYSA-N 0 1 284.403 2.611 20 30 CFEDMN C=CCNc1nnc(SCCN2CCCCC2)s1 ZINC000078353806 347245316 /nfs/dbraw/zinc/24/53/16/347245316.db2.gz WVNBHKJSBRQWFP-UHFFFAOYSA-N 0 1 284.454 2.714 20 30 CFEDMN COc1ccc(F)cc1C(=O)C(C#N)c1ccccn1 ZINC000078732719 347272191 /nfs/dbraw/zinc/27/21/91/347272191.db2.gz IDCOSMIQSBDZSU-GFCCVEGCSA-N 0 1 270.263 2.719 20 30 CFEDMN Cc1nnc(NC(=O)[C@H]2SCCc3sccc32)[nH]1 ZINC000080023711 347337376 /nfs/dbraw/zinc/33/73/76/347337376.db2.gz RPGAJPKPMSPIRA-VIFPVBQESA-N 0 1 280.378 2.793 20 30 CFEDMN Cc1n[nH]c(NC(=O)[C@H]2SCCc3sccc32)n1 ZINC000080023711 347337381 /nfs/dbraw/zinc/33/73/81/347337381.db2.gz RPGAJPKPMSPIRA-VIFPVBQESA-N 0 1 280.378 2.793 20 30 CFEDMN Cc1[nH]ncc1CNc1ncc(Cl)c(C)c1C#N ZINC000273304786 192106627 /nfs/dbraw/zinc/10/66/27/192106627.db2.gz HNHJCRXBWGVYLL-UHFFFAOYSA-N 0 1 261.716 2.559 20 30 CFEDMN CCO[C@H]1CCCN(Cc2ccc(OC)c(C#N)c2)C1 ZINC000087833286 347499112 /nfs/dbraw/zinc/49/91/12/347499112.db2.gz OPBDMQRABNIZGI-HNNXBMFYSA-N 0 1 274.364 2.568 20 30 CFEDMN C=CCCC[C@@H](C)N1CCN(C(=O)c2ccco2)CC1 ZINC000091506541 347591084 /nfs/dbraw/zinc/59/10/84/347591084.db2.gz WHBABDKPRTXSIA-CQSZACIVSA-N 0 1 276.380 2.782 20 30 CFEDMN Cc1[nH]nc2cc(NC(=O)C3(C#N)CCC3)ccc12 ZINC000091825295 347599992 /nfs/dbraw/zinc/59/99/92/347599992.db2.gz KUEMSKLFSMIMRT-UHFFFAOYSA-N 0 1 254.293 2.504 20 30 CFEDMN N#Cc1ccc(CN2CCC(COc3ccccn3)CC2)o1 ZINC000093659091 347680804 /nfs/dbraw/zinc/68/08/04/347680804.db2.gz QNKGYXWKBSTDGQ-UHFFFAOYSA-N 0 1 297.358 2.837 20 30 CFEDMN CCN1CCC[C@H](Nc2ncc(C#N)cc2Cl)C1 ZINC000112075763 347758394 /nfs/dbraw/zinc/75/83/94/347758394.db2.gz DMAJUVHBEHWOGK-NSHDSACASA-N 0 1 264.760 2.503 20 30 CFEDMN CCO[C@H]1CCCN(Cc2ccc(C#N)c(OC)c2)C1 ZINC000233782625 348217473 /nfs/dbraw/zinc/21/74/73/348217473.db2.gz USGUVDZHABZRNA-HNNXBMFYSA-N 0 1 274.364 2.568 20 30 CFEDMN CCN1CCN(c2cccc(Cl)c2C#N)C[C@H]1C ZINC000250226675 348286715 /nfs/dbraw/zinc/28/67/15/348286715.db2.gz FOLCYJDFLRDPFC-LLVKDONJSA-N 0 1 263.772 2.742 20 30 CFEDMN CCN1CCN(c2cc(Cl)ccc2C#N)C[C@H]1C ZINC000250380091 348287541 /nfs/dbraw/zinc/28/75/41/348287541.db2.gz WUOAMIUCYCETHZ-LLVKDONJSA-N 0 1 263.772 2.742 20 30 CFEDMN C=CCCN(C)[C@H](C)C(=O)N(CCC#N)c1ccccc1 ZINC000276388770 348336528 /nfs/dbraw/zinc/33/65/28/348336528.db2.gz JCXNTMOPEFRFTN-OAHLLOKOSA-N 0 1 285.391 2.830 20 30 CFEDMN CCC[C@@H](CC(C)C)C(=O)NC1(C#N)CCN(C)CC1 ZINC000308085557 348402659 /nfs/dbraw/zinc/40/26/59/348402659.db2.gz GSSKQAPHSBZMCZ-AWEZNQCLSA-N 0 1 279.428 2.553 20 30 CFEDMN C[C@H](NCC#Cc1ccc(Cl)cc1)c1cnn(C)c1 ZINC000273377277 192132006 /nfs/dbraw/zinc/13/20/06/192132006.db2.gz MFFVEXBGSOYEAP-LBPRGKRZSA-N 0 1 273.767 2.776 20 30 CFEDMN CCCCCc1cc(C(=O)N(CC)C[C@H](C)C#N)n[nH]1 ZINC000596822174 349993071 /nfs/dbraw/zinc/99/30/71/349993071.db2.gz FLXFMTVWEIBWSX-GFCCVEGCSA-N 0 1 276.384 2.764 20 30 CFEDMN CCc1nc([C@@H](C)Nc2ncc(Cl)c(C)c2C#N)n[nH]1 ZINC000273409052 192141199 /nfs/dbraw/zinc/14/11/99/192141199.db2.gz XHLDLEOMCJQQDB-MRVPVSSYSA-N 0 1 290.758 2.769 20 30 CFEDMN C[C@H](C#N)C(=O)N1C[C@H](C)N(Cc2ccccc2)[C@@H](C)[C@@H]1C ZINC000404358307 348591535 /nfs/dbraw/zinc/59/15/35/348591535.db2.gz MQSZGDBZLLFBAX-UGUYLWEFSA-N 0 1 299.418 2.656 20 30 CFEDMN C[C@H]1CN(CC2(CC#N)CC2)CCN1Cc1ccccc1 ZINC000396558300 348559336 /nfs/dbraw/zinc/55/93/36/348559336.db2.gz IYZLLEQCFKKIDD-INIZCTEOSA-N 0 1 283.419 2.887 20 30 CFEDMN C[C@H](CC#N)N(C)C(=O)c1cccc(Br)c1O ZINC000531560882 348649348 /nfs/dbraw/zinc/64/93/48/348649348.db2.gz WGRQPIGGWIWVDC-MRVPVSSYSA-N 0 1 297.152 2.529 20 30 CFEDMN C=CCCCC[N@H+]1CCC[C@@H]1C(=O)NCc1ccco1 ZINC000584701224 348706310 /nfs/dbraw/zinc/70/63/10/348706310.db2.gz WHVXLRCZCCNJEE-OAHLLOKOSA-N 0 1 276.380 2.717 20 30 CFEDMN CN(C)[C@@H](CNC(=O)CCCCCC#N)c1ccsc1 ZINC000588149856 348773756 /nfs/dbraw/zinc/77/37/56/348773756.db2.gz ZJAIFWIVUMQWKI-AWEZNQCLSA-N 0 1 293.436 2.941 20 30 CFEDMN Cc1ccc2nc(CNC(=O)CCCCCC#N)[nH]c2c1 ZINC000588160515 348775269 /nfs/dbraw/zinc/77/52/69/348775269.db2.gz ZCPUQLOGAYHMBA-UHFFFAOYSA-N 0 1 284.363 2.962 20 30 CFEDMN CC[C@H](C)c1nc([C@H](C)NC(=O)CCCCCC#N)n[nH]1 ZINC000588720733 348792848 /nfs/dbraw/zinc/79/28/48/348792848.db2.gz YEVFESDFZVPZRO-RYUDHWBXSA-N 0 1 291.399 2.969 20 30 CFEDMN CC(C)(CO)[C@@H](NCc1ccnc(C#N)c1)c1ccccc1 ZINC000589261985 348823545 /nfs/dbraw/zinc/82/35/45/348823545.db2.gz AWYISJGILUCUCD-KRWDZBQOSA-N 0 1 295.386 2.803 20 30 CFEDMN N#Cc1cncc(S(=O)(=O)Nc2ccc(C3CC3)cc2)c1 ZINC000589554937 348838852 /nfs/dbraw/zinc/83/88/52/348838852.db2.gz QNJQVNMYRJDWSP-UHFFFAOYSA-N 0 1 299.355 2.631 20 30 CFEDMN CCn1nccc1C(=O)C(C#N)c1nc(C(C)C)cs1 ZINC000126606899 539683999 /nfs/dbraw/zinc/68/39/99/539683999.db2.gz XDBSDJQBRQBWSR-JTQLQIEISA-N 0 1 288.376 2.973 20 30 CFEDMN COC[C@H]1CC[N@H+]1Cc1ccc(C(C)(C)C#N)cc1 ZINC000590184921 348883582 /nfs/dbraw/zinc/88/35/82/348883582.db2.gz FWUDXTVYXOIFKK-OAHLLOKOSA-N 0 1 258.365 2.708 20 30 CFEDMN N#CC1(CC(=O)Nc2cc(Cl)c(O)cc2F)CC1 ZINC000590377263 348897384 /nfs/dbraw/zinc/89/73/84/348897384.db2.gz DBRZGKDDJCZGPN-UHFFFAOYSA-N 0 1 268.675 2.817 20 30 CFEDMN CC[C@@H]1CN(C)CCN1C(=O)C[C@@H](CC#N)c1ccccc1 ZINC000590522890 348907397 /nfs/dbraw/zinc/90/73/97/348907397.db2.gz DUTXBICDLJTQSN-IAGOWNOFSA-N 0 1 299.418 2.627 20 30 CFEDMN COc1cccc(CNCC(C)(C)CC#N)c1F ZINC000590970453 348974257 /nfs/dbraw/zinc/97/42/57/348974257.db2.gz JBWQHMSFZCMRAT-UHFFFAOYSA-N 0 1 250.317 2.864 20 30 CFEDMN N#CCC[C@@H](C#N)CN1CCSC2(CCC2)CC1 ZINC000591041767 348981663 /nfs/dbraw/zinc/98/16/63/348981663.db2.gz MJKKNHKCVOJJNX-ZDUSSCGKSA-N 0 1 263.410 2.792 20 30 CFEDMN N#C[C@@H]1CC[C@@H](NCc2cccc3c2OC(F)(F)O3)C1 ZINC000591260678 349004293 /nfs/dbraw/zinc/00/42/93/349004293.db2.gz BVRKESVAQBFNKW-MWLCHTKSSA-N 0 1 280.274 2.790 20 30 CFEDMN N#Cc1cc(CN2CCSC[C@H]2C2CCC2)ccn1 ZINC000591378668 349014890 /nfs/dbraw/zinc/01/48/90/349014890.db2.gz RQKCRVAUTLKOBE-HNNXBMFYSA-N 0 1 273.405 2.671 20 30 CFEDMN CN1Cc2ccccc2[C@H](NCc2ccc(C#N)c(F)c2)C1 ZINC000591502219 349027454 /nfs/dbraw/zinc/02/74/54/349027454.db2.gz POKQVLXEOCLFSJ-GOSISDBHSA-N 0 1 295.361 2.974 20 30 CFEDMN N#Cc1cnccc1CN(C[C@H]1CCCO1)C1CCCC1 ZINC000592073378 349079503 /nfs/dbraw/zinc/07/95/03/349079503.db2.gz XKCIOSBBXRJJNZ-QGZVFWFLSA-N 0 1 285.391 2.877 20 30 CFEDMN C[C@@H]1CC(C)(C)C[C@@](CO)(NCc2ccncc2C#N)C1 ZINC000592079646 349080759 /nfs/dbraw/zinc/08/07/59/349080759.db2.gz DKFIVYNQMZXQSB-DYVFJYSZSA-N 0 1 287.407 2.620 20 30 CFEDMN O=C(NCc1nnc[nH]1)[C@@H]1CCSc2ccccc21 ZINC000329616324 539713720 /nfs/dbraw/zinc/71/37/20/539713720.db2.gz FOJKMDLEUHIDER-SNVBAGLBSA-N 0 1 274.349 2.541 20 30 CFEDMN C[C@H](Oc1ccccc1C#N)c1nc([C@@H]2CCCN2)no1 ZINC000592357184 349107536 /nfs/dbraw/zinc/10/75/36/349107536.db2.gz SPINGQYENYAYLO-JQWIXIFHSA-N 0 1 284.319 2.506 20 30 CFEDMN N#CC[C@]1(O)CCN([C@@H]2CCc3c2cccc3Cl)C1 ZINC000592151283 349091083 /nfs/dbraw/zinc/09/10/83/349091083.db2.gz LHSNLHCLEXGYJZ-CABCVRRESA-N 0 1 276.767 2.678 20 30 CFEDMN N#CC[C@@]1(O)CCN(Cc2ccc(C(F)(F)F)cc2)C1 ZINC000592146772 349091812 /nfs/dbraw/zinc/09/18/12/349091812.db2.gz GBDTUAKTGXSYRI-CYBMUJFWSA-N 0 1 284.281 2.556 20 30 CFEDMN N#Cc1cccc([C@@H]2C[C@H]2c2nc([C@H]3CCCN3)no2)c1 ZINC000592356135 349107736 /nfs/dbraw/zinc/10/77/36/349107736.db2.gz XSWCAVQOLDHLFR-BFHYXJOUSA-N 0 1 280.331 2.637 20 30 CFEDMN N#CC[C@]1(O)CCN([C@H]2CCCc3ccc(F)cc32)C1 ZINC000592151892 349092440 /nfs/dbraw/zinc/09/24/40/349092440.db2.gz ROCPQKVFTUSQLC-HOTGVXAUSA-N 0 1 274.339 2.554 20 30 CFEDMN CC(C)Cn1nccc1CNCc1ccc(C#N)c(F)c1 ZINC000592368401 349110252 /nfs/dbraw/zinc/11/02/52/349110252.db2.gz CLALEDRNAZDZHR-UHFFFAOYSA-N 0 1 286.354 2.840 20 30 CFEDMN CC(C)(C)c1ccc(CN2CC[C@@](O)(CC#N)C2)s1 ZINC000592522271 349132932 /nfs/dbraw/zinc/13/29/32/349132932.db2.gz KJGJVIQWCXRIPB-HNNXBMFYSA-N 0 1 278.421 2.896 20 30 CFEDMN COc1cc(CN2CC[C@@](O)(CC#N)C2)cc2ccccc21 ZINC000592525907 349134721 /nfs/dbraw/zinc/13/47/21/349134721.db2.gz URQXDTMNDOWPSC-SFHVURJKSA-N 0 1 296.370 2.699 20 30 CFEDMN COc1cc(CN2CC[C@](O)(CC#N)C2)cc2ccccc21 ZINC000592525906 349134830 /nfs/dbraw/zinc/13/48/30/349134830.db2.gz URQXDTMNDOWPSC-GOSISDBHSA-N 0 1 296.370 2.699 20 30 CFEDMN N#C[C@H](CO)Cc1cccc(-c2cc(C(F)(F)F)n[nH]2)c1 ZINC000592988555 349182096 /nfs/dbraw/zinc/18/20/96/349182096.db2.gz FUQUFWUFBPRKJL-SNVBAGLBSA-N 0 1 295.264 2.770 20 30 CFEDMN N#Cc1cccc(CN2CC[C@@]3(CC3(F)F)C2)c1F ZINC000593119547 349215490 /nfs/dbraw/zinc/21/54/90/349215490.db2.gz ZPEYSEQHKCFZIW-CYBMUJFWSA-N 0 1 266.266 2.928 20 30 CFEDMN CC(=Cc1cccc2c1CCC2)c1nc(C)c(C#N)c(=O)[nH]1 ZINC000593165658 349221951 /nfs/dbraw/zinc/22/19/51/349221951.db2.gz RUEBWYOFMAFWAS-LUAWRHEFSA-N 0 1 291.354 2.999 20 30 CFEDMN C=CCCC(=O)NC1CCN(Cc2cccc(C#N)c2)CC1 ZINC000593352755 349251626 /nfs/dbraw/zinc/25/16/26/349251626.db2.gz ANVRCNYLZNCYQU-UHFFFAOYSA-N 0 1 297.402 2.605 20 30 CFEDMN Cc1c(CNC2(c3ccc(C#N)cc3)CCC2)cnn1C ZINC000594031909 349357634 /nfs/dbraw/zinc/35/76/34/349357634.db2.gz OJEKICUERYXWRD-UHFFFAOYSA-N 0 1 280.375 2.769 20 30 CFEDMN N#CCCCCC(=O)NC[C@@H](c1ccco1)N1CCCC1 ZINC000593947978 349338073 /nfs/dbraw/zinc/33/80/73/349338073.db2.gz PUIJUCAFOWKJST-AWEZNQCLSA-N 0 1 289.379 2.617 20 30 CFEDMN CC[C@@H](N[C@@H](C)C(=O)N(C)CCC#N)c1ccccc1F ZINC000594019779 349354724 /nfs/dbraw/zinc/35/47/24/349354724.db2.gz UHCZKKDCDLTEJT-SWLSCSKDSA-N 0 1 291.370 2.627 20 30 CFEDMN CCO[C@@H]1C[C@@H](NCC2(C#N)CCCC2)[C@H]1SC ZINC000593654559 349304702 /nfs/dbraw/zinc/30/47/02/349304702.db2.gz IAOCSXPZBZPFNK-JHJVBQTASA-N 0 1 268.426 2.569 20 30 CFEDMN C[C@H](O)[C@H](N[C@H]1CCC[C@@H](C#N)C1)c1ccccc1F ZINC000593659006 349305600 /nfs/dbraw/zinc/30/56/00/349305600.db2.gz RIMFLHVPYYYRMB-ZWUHOBOKSA-N 0 1 276.355 2.920 20 30 CFEDMN CCN(Cc1ccc(C#N)s1)[C@@H]1CCCOC1 ZINC000593674103 349307621 /nfs/dbraw/zinc/30/76/21/349307621.db2.gz NRRYDAFCLGEOBT-LLVKDONJSA-N 0 1 250.367 2.621 20 30 CFEDMN Cn1ccnc1[C@H](Cc1ccccc1)N[C@@H]1CC[C@H](C#N)C1 ZINC000593678453 349308548 /nfs/dbraw/zinc/30/85/48/349308548.db2.gz LAEFEWBLUDAQMM-BBWFWOEESA-N 0 1 294.402 2.986 20 30 CFEDMN CN(Cc1cnn(C)c1)Cc1ccc(C2(C#N)CC2)cc1 ZINC000596981141 350011614 /nfs/dbraw/zinc/01/16/14/350011614.db2.gz ZRLCQIMVNMKFSC-UHFFFAOYSA-N 0 1 280.375 2.607 20 30 CFEDMN CCC(C)(C)N1CCN(C(=O)c2ccc(C#N)cc2C)CC1 ZINC000594390314 349413406 /nfs/dbraw/zinc/41/34/06/349413406.db2.gz UUHWKPDAGDDHEL-UHFFFAOYSA-N 0 1 299.418 2.813 20 30 CFEDMN CCc1cccc2cc(CN3CC[C@](O)(CC#N)C3)oc21 ZINC000597158867 350042027 /nfs/dbraw/zinc/04/20/27/350042027.db2.gz ZMGUEAQLZZVHKA-QGZVFWFLSA-N 0 1 284.359 2.846 20 30 CFEDMN Cn1cc(CN2CCC[C@@H](CC#N)C2)c(-c2ccncc2)n1 ZINC000597173523 350043607 /nfs/dbraw/zinc/04/36/07/350043607.db2.gz JOFLUUFPIXLTQY-AWEZNQCLSA-N 0 1 295.390 2.608 20 30 CFEDMN CC(C)(C)c1n[nH]cc1CN1CCC[C@@H](CC#N)C1 ZINC000597174697 350044362 /nfs/dbraw/zinc/04/43/62/350044362.db2.gz SXPURBGNKKRFKX-LBPRGKRZSA-N 0 1 260.385 2.833 20 30 CFEDMN CCN(C)c1ccc(CN2CCC[C@H](CC#N)C2)cn1 ZINC000597178120 350045521 /nfs/dbraw/zinc/04/55/21/350045521.db2.gz VSYCYXKEWTUFAN-CQSZACIVSA-N 0 1 272.396 2.663 20 30 CFEDMN N#C[C@@H]1CCC[C@H](N[C@@H](CO)c2ccc(F)cc2F)C1 ZINC000597235176 350066833 /nfs/dbraw/zinc/06/68/33/350066833.db2.gz FLRIKEIMIIQZAM-GMXABZIVSA-N 0 1 280.318 2.670 20 30 CFEDMN CCCCCc1cc(C(=O)N2CCC[C@](C)(C#N)C2)n[nH]1 ZINC000597498541 350105488 /nfs/dbraw/zinc/10/54/88/350105488.db2.gz JIAYZEDRHSJKGB-MRXNPFEDSA-N 0 1 288.395 2.908 20 30 CFEDMN CCCCCc1cc(C(=O)N(C[C@@H](C)C#N)C2CC2)n[nH]1 ZINC000597438667 350097414 /nfs/dbraw/zinc/09/74/14/350097414.db2.gz QRZULDRNNOUBFM-LBPRGKRZSA-N 0 1 288.395 2.907 20 30 CFEDMN COCCCOCCN(C)CC#Cc1ccc(Cl)cc1 ZINC000091101693 180097988 /nfs/dbraw/zinc/09/79/88/180097988.db2.gz SYLUHLGTSZZWHK-UHFFFAOYSA-N 0 1 295.810 2.676 20 30 CFEDMN N#Cc1cccc([C@@H]2C[C@H]2c2nc(C3(N)CCC3)no2)c1 ZINC000414629197 233308419 /nfs/dbraw/zinc/30/84/19/233308419.db2.gz QBBPGWZAVSDAAD-QWHCGFSZSA-N 0 1 280.331 2.550 20 30 CFEDMN C=CCCSCCNC(=O)c1ccc(F)cc1O ZINC000597967914 350164331 /nfs/dbraw/zinc/16/43/31/350164331.db2.gz BDCOXXJYPONUEY-UHFFFAOYSA-N 0 1 269.341 2.570 20 30 CFEDMN C[C@@H](c1nc(C2(N)CCCC2)no1)c1cccc(C#N)c1 ZINC000414631380 233309806 /nfs/dbraw/zinc/30/98/06/233309806.db2.gz WOSAXURABJBNHM-LLVKDONJSA-N 0 1 282.347 2.821 20 30 CFEDMN N#CCC1CN(C(=O)c2c(O)cc(Cl)cc2Cl)C1 ZINC000598030146 350179113 /nfs/dbraw/zinc/17/91/13/350179113.db2.gz MKCGDUFISIIBME-UHFFFAOYSA-N 0 1 285.130 2.685 20 30 CFEDMN CCN(CC)[C@@H](C(=O)N1CC[C@@](C)(C#N)C1)c1ccccc1 ZINC000598413456 350262824 /nfs/dbraw/zinc/26/28/24/350262824.db2.gz RWDXHAZGLYFCNB-AEFFLSMTSA-N 0 1 299.418 2.832 20 30 CFEDMN C[C@]1(C#N)CCN(C(=O)C(C#N)CCc2ccccc2)C1 ZINC000598415702 350263249 /nfs/dbraw/zinc/26/32/49/350263249.db2.gz VDRODQTYATWCDR-NVXWUHKLSA-N 0 1 281.359 2.521 20 30 CFEDMN COc1nc(C)cc(C)c1CN(C)[C@H]1CC[C@H](C#N)C1 ZINC000598648749 350302326 /nfs/dbraw/zinc/30/23/26/350302326.db2.gz KMKQBZFCUYOWOS-KBPBESRZSA-N 0 1 273.380 2.831 20 30 CFEDMN CC(C)(C#N)C[C@H](O)CN1CC2(CCC2)[C@@H]1c1ccncc1 ZINC000598705471 350314258 /nfs/dbraw/zinc/31/42/58/350314258.db2.gz KFIFHJNACPNZNG-HOTGVXAUSA-N 0 1 299.418 2.909 20 30 CFEDMN Cc1c(C#N)cccc1NC(=O)[C@@H]1C[C@H](C)Cc2cn[nH]c21 ZINC000598942989 350347532 /nfs/dbraw/zinc/34/75/32/350347532.db2.gz RFLAKWQFWKDRKB-QMTHXVAHSA-N 0 1 294.358 2.894 20 30 CFEDMN Cn1cc(C#N)c(=NC(=O)C2CC(C)(C)CC(C)(C)C2)[nH]1 ZINC000598817403 350333933 /nfs/dbraw/zinc/33/39/33/350333933.db2.gz SMPBHIJTQIWIQS-UHFFFAOYSA-N 0 1 288.395 2.505 20 30 CFEDMN CCCC(=O)NC1CCN(Cc2ccc(C)c(C#N)c2)CC1 ZINC000599266102 350403006 /nfs/dbraw/zinc/40/30/06/350403006.db2.gz YLHROOSXIDMVNC-UHFFFAOYSA-N 0 1 299.418 2.747 20 30 CFEDMN Cc1ccc(CN2CC[C@@H](Oc3cccnc3)C2)cc1C#N ZINC000599311205 350413015 /nfs/dbraw/zinc/41/30/15/350413015.db2.gz FQLHDXNAXAVCLA-GOSISDBHSA-N 0 1 293.370 2.915 20 30 CFEDMN COc1cccc(F)c1[C@@H](C)NC[C@H](O)CC1(C#N)CC1 ZINC000599355914 350422256 /nfs/dbraw/zinc/42/22/56/350422256.db2.gz KBRDFWSEGXRKMJ-VXGBXAGGSA-N 0 1 292.354 2.540 20 30 CFEDMN CC(C)(C)OC(=O)[C@]1(C)CCCN1CCCCC#N ZINC000599494794 350445583 /nfs/dbraw/zinc/44/55/83/350445583.db2.gz KLQMNLDWFPYRAS-HNNXBMFYSA-N 0 1 266.385 2.876 20 30 CFEDMN Cc1ccc(CN2CCC[C@H](CC#N)C2)cc1C#N ZINC000599467901 350442449 /nfs/dbraw/zinc/44/24/49/350442449.db2.gz ANLURZVFFCOJRH-CQSZACIVSA-N 0 1 253.349 2.992 20 30 CFEDMN CCC(O)(CC)CN(C)Cc1cn2ccccc2c1C#N ZINC000599673106 350478239 /nfs/dbraw/zinc/47/82/39/350478239.db2.gz JZVUBXVNHHRTRL-UHFFFAOYSA-N 0 1 285.391 2.794 20 30 CFEDMN Cc1nn(C)c(C)c1CN1CCc2c(CC#N)cccc2C1 ZINC000599678764 350480155 /nfs/dbraw/zinc/48/01/55/350480155.db2.gz MFUAUIZCVRGBDN-UHFFFAOYSA-N 0 1 294.402 2.661 20 30 CFEDMN N#CCc1cccc2c1CCN(CCO[C@@H]1CC1(F)F)C2 ZINC000599679365 350480909 /nfs/dbraw/zinc/48/09/09/350480909.db2.gz ZBSLHAQCMFSKRB-OAHLLOKOSA-N 0 1 292.329 2.535 20 30 CFEDMN C/C=C/C[C@@H]1CCCN([C@@H](C(N)=O)c2ccc(C#N)cc2)C1 ZINC000599689278 350483126 /nfs/dbraw/zinc/48/31/26/350483126.db2.gz IMOZFPJPPLQVBI-QGBYBWSUSA-N 0 1 297.402 2.763 20 30 CFEDMN C[C@H](C#N)CNCC1(O)CCC(c2ccccc2)CC1 ZINC000600727067 350602452 /nfs/dbraw/zinc/60/24/52/350602452.db2.gz OAEFARDHPBHCKA-ODIFPOPNSA-N 0 1 272.392 2.825 20 30 CFEDMN Cc1ccc(C[N@@H+]2C[C@H](C(=O)[O-])CC[C@@H]2C)cc1C#N ZINC000600706283 350598011 /nfs/dbraw/zinc/59/80/11/350598011.db2.gz DQFFNDRAVPPOFL-GXTWGEPZSA-N 0 1 272.348 2.552 20 30 CFEDMN Cc1ccc(C[N@@H+]2C[C@@H](C(=O)[O-])CC[C@H]2C)cc1C#N ZINC000600706285 350598374 /nfs/dbraw/zinc/59/83/74/350598374.db2.gz DQFFNDRAVPPOFL-OCCSQVGLSA-N 0 1 272.348 2.552 20 30 CFEDMN Cc1ccc(C[N@@H+]2CCC[C@H](C)[C@H]2C(=O)[O-])cc1C#N ZINC000600711063 350599117 /nfs/dbraw/zinc/59/91/17/350599117.db2.gz XCGWWYLZHZBQTP-WFASDCNBSA-N 0 1 272.348 2.552 20 30 CFEDMN N#Cc1ccc(CNCc2ccc3c(c2)CCCN3)o1 ZINC000600768369 350607869 /nfs/dbraw/zinc/60/78/69/350607869.db2.gz GFMUXVHZPLXPJX-UHFFFAOYSA-N 0 1 267.332 2.799 20 30 CFEDMN N#C[C@H](Sc1nc(-c2ccccc2O)n[nH]1)C1CC1 ZINC000601073763 350659212 /nfs/dbraw/zinc/65/92/12/350659212.db2.gz DVWGVSZDQAGSAI-NSHDSACASA-N 0 1 272.333 2.572 20 30 CFEDMN C[C@@H](N[C@@H](C)c1ccc(C#N)cc1)[C@H](O)C(F)(F)F ZINC000601301288 350719821 /nfs/dbraw/zinc/71/98/21/350719821.db2.gz XGETVHKGACDDKE-SBMIAAHKSA-N 0 1 272.270 2.521 20 30 CFEDMN Cc1[nH]nc2cc(NC(=O)C3(C#N)CC4(CC4)C3)ccc12 ZINC000601400600 350730573 /nfs/dbraw/zinc/73/05/73/350730573.db2.gz UVGHNONYHKQRTO-UHFFFAOYSA-N 0 1 280.331 2.894 20 30 CFEDMN C[C@H]1CCc2[nH]n(Cc3ccc(C#N)cc3)c(=O)c2C1 ZINC000601947430 350814412 /nfs/dbraw/zinc/81/44/12/350814412.db2.gz RRQNHEPWHMIJRY-SMDDNHRTSA-N 0 1 267.332 2.693 20 30 CFEDMN Cc1[nH]n([C@@H](C)COc2ccccc2)c(=O)c1CCC#N ZINC000601947205 350814510 /nfs/dbraw/zinc/81/45/10/350814510.db2.gz SPMPDPRXDSIKMF-WFASDCNBSA-N 0 1 285.347 2.592 20 30 CFEDMN N#Cc1ccc(-n2[nH]c3c(c2=O)CSCC3)cc1Cl ZINC000601947962 350815077 /nfs/dbraw/zinc/81/50/77/350815077.db2.gz HCWNOKKJELXRQY-SNVBAGLBSA-N 0 1 291.763 2.667 20 30 CFEDMN Cc1[nH]n(-c2cccc(F)c2F)c(=O)c1CCC#N ZINC000601950079 350817016 /nfs/dbraw/zinc/81/70/16/350817016.db2.gz UBPUBKWNQRVMJT-SECBINFHSA-N 0 1 263.247 2.607 20 30 CFEDMN CCc1[nH]n(-c2ccc(C#N)c(Cl)c2)c(=O)c1C ZINC000601950050 350817141 /nfs/dbraw/zinc/81/71/41/350817141.db2.gz SXDWTUDPXXVYTO-MRVPVSSYSA-N 0 1 261.712 2.960 20 30 CFEDMN CCCN1CCC[C@@H]1C(=O)Nc1cc(F)cc(C#N)c1 ZINC000601713647 350767447 /nfs/dbraw/zinc/76/74/47/350767447.db2.gz FTXIQYIHCJADMW-CQSZACIVSA-N 0 1 275.327 2.510 20 30 CFEDMN N#CCc1ccc(CN2CCO[C@H](C(F)F)CC2)cc1 ZINC000601974555 350822474 /nfs/dbraw/zinc/82/24/74/350822474.db2.gz KUBDZZVNUZKHAD-AWEZNQCLSA-N 0 1 280.318 2.609 20 30 CFEDMN C[C@@H](c1ccc(C#N)cc1)N1CCO[C@@H](C(F)F)CC1 ZINC000601975292 350822594 /nfs/dbraw/zinc/82/25/94/350822594.db2.gz MXTLGJHQCVCGQK-SMDDNHRTSA-N 0 1 280.318 2.975 20 30 CFEDMN CC[C@](C)(CNCc1cccc(F)c1C#N)OC ZINC000602022744 350834083 /nfs/dbraw/zinc/83/40/83/350834083.db2.gz GZDGTQWLDLXFEK-CQSZACIVSA-N 0 1 250.317 2.602 20 30 CFEDMN CC1(C)CCC[C@@]1(O)CNCc1cccc(F)c1C#N ZINC000602025347 350835210 /nfs/dbraw/zinc/83/52/10/350835210.db2.gz QGTQYBBNSCVBAL-MRXNPFEDSA-N 0 1 276.355 2.728 20 30 CFEDMN CN(CC(=O)Nc1ccc(F)c(C#N)c1)CC(C)(C)C ZINC000602095688 350839834 /nfs/dbraw/zinc/83/98/34/350839834.db2.gz MJSINWRFVIAGLE-UHFFFAOYSA-N 0 1 277.343 2.614 20 30 CFEDMN N#CCC[C@@H](NC(=O)[C@@H]1C[C@H]1c1cnc[nH]1)c1ccccc1 ZINC000602130102 350845428 /nfs/dbraw/zinc/84/54/28/350845428.db2.gz UGCWCBKKFQAYHX-RBSFLKMASA-N 0 1 294.358 2.674 20 30 CFEDMN C[C@H](C(=O)Nc1ccc(OC(C)(C)C)c(C#N)c1)N(C)C ZINC000602159153 350848550 /nfs/dbraw/zinc/84/85/50/350848550.db2.gz YNKTWVINQDEYAR-LLVKDONJSA-N 0 1 289.379 2.624 20 30 CFEDMN CC(C)[C@H]1CN(Cc2cccc(C#N)n2)CCS1 ZINC000602481609 350900895 /nfs/dbraw/zinc/90/08/95/350900895.db2.gz HCHHLSIPNXGXKD-CQSZACIVSA-N 0 1 261.394 2.527 20 30 CFEDMN Cc1csc(CN[C@@H](C)CC2(C#N)CCOCC2)n1 ZINC000602511450 350910116 /nfs/dbraw/zinc/91/01/16/350910116.db2.gz RYCUCJBDWPDNQZ-NSHDSACASA-N 0 1 279.409 2.640 20 30 CFEDMN CCc1cnc(CN[C@@H](C)CC2(C#N)CCOCC2)s1 ZINC000602559938 350924524 /nfs/dbraw/zinc/92/45/24/350924524.db2.gz KJBSOAIBIJUPRA-LBPRGKRZSA-N 0 1 293.436 2.894 20 30 CFEDMN C[C@H](CCC#N)CNCc1nnc(C(C)(C)C)s1 ZINC000602568478 350927368 /nfs/dbraw/zinc/92/73/68/350927368.db2.gz OOTXWXUUGJOZIG-SNVBAGLBSA-N 0 1 266.414 2.865 20 30 CFEDMN CCc1cnccc1[C@@H](C)NCc1cccc(C#N)n1 ZINC000602579730 350932767 /nfs/dbraw/zinc/93/27/67/350932767.db2.gz BJKDVSUICCAPLZ-GFCCVEGCSA-N 0 1 266.348 2.761 20 30 CFEDMN C[C@H](CCC#N)CN1CCO[C@@H](Cc2ccccc2)C1 ZINC000602586120 350936695 /nfs/dbraw/zinc/93/66/95/350936695.db2.gz ZMCLBJMMTXPRCJ-WBVHZDCISA-N 0 1 272.392 2.870 20 30 CFEDMN C[C@@H](CCC#N)C[N@H+]1CCC[C@@H](OCC(F)(F)F)C1 ZINC000602446239 350886345 /nfs/dbraw/zinc/88/63/45/350886345.db2.gz ZMZIFCDWCJKRTB-NWDGAFQWSA-N 0 1 278.318 2.970 20 30 CFEDMN C[C@H](CCC#N)CN(C)CC(=O)Nc1cc(F)cc(F)c1 ZINC000602457366 350890632 /nfs/dbraw/zinc/89/06/32/350890632.db2.gz ALZNTRPOUUTTLT-LLVKDONJSA-N 0 1 295.333 2.775 20 30 CFEDMN Cc1cnc(N2CCN(C[C@@H](C)CCC#N)CC2)s1 ZINC000602474669 350895733 /nfs/dbraw/zinc/89/57/33/350895733.db2.gz RFASJAOFZVWPBT-LBPRGKRZSA-N 0 1 278.425 2.513 20 30 CFEDMN Cc1nc2ccccc2nc1CNCC1(CC#N)CC1 ZINC000602644440 350959271 /nfs/dbraw/zinc/95/92/71/350959271.db2.gz XOYBINBBDOOQFY-UHFFFAOYSA-N 0 1 266.348 2.722 20 30 CFEDMN COC(=O)c1cccc2c1CN(C[C@H](C)CCC#N)CC2 ZINC000602699654 350985422 /nfs/dbraw/zinc/98/54/22/350985422.db2.gz ZBZLENIDPSRQKF-CYBMUJFWSA-N 0 1 286.375 2.771 20 30 CFEDMN CC(C)O[C@@H](CN1CC(CC#N)C1)c1ccccc1 ZINC000602710707 350992996 /nfs/dbraw/zinc/99/29/96/350992996.db2.gz XORQYVFRLUJXEV-INIZCTEOSA-N 0 1 258.365 2.998 20 30 CFEDMN CSC1CCN(Cc2ccc(C#N)s2)CC1 ZINC000602724286 351001617 /nfs/dbraw/zinc/00/16/17/351001617.db2.gz CHUJHTDLEDFZFO-UHFFFAOYSA-N 0 1 252.408 2.947 20 30 CFEDMN C[C@@H](CCC#N)CNCc1nc(-c2ccccc2)no1 ZINC000602618404 350948066 /nfs/dbraw/zinc/94/80/66/350948066.db2.gz RTLZUKPBNMYYNH-LBPRGKRZSA-N 0 1 270.336 2.766 20 30 CFEDMN COCC1(C2CC2)CN(Cc2ccc(C#N)c(C)c2)C1 ZINC000602734484 351006673 /nfs/dbraw/zinc/00/66/73/351006673.db2.gz ZUHMKCIPOCZVFH-UHFFFAOYSA-N 0 1 270.376 2.725 20 30 CFEDMN C=C(C)C[C@H](NCc1cnc(-c2ccccc2)[nH]1)C(=O)OC ZINC000602735456 351007123 /nfs/dbraw/zinc/00/71/23/351007123.db2.gz XPKGYJJPYGUIQK-HNNXBMFYSA-N 0 1 299.374 2.674 20 30 CFEDMN N#CCC1(C[N@H+]2CC[C@@]3(C2)OCc2ccccc23)CC1 ZINC000602811201 351034815 /nfs/dbraw/zinc/03/48/15/351034815.db2.gz LHXUMCGYSDBUBM-KRWDZBQOSA-N 0 1 268.360 2.812 20 30 CFEDMN N#CCC1(CN2CC[C@@]3(C2)OCc2ccccc23)CC1 ZINC000602811201 351034816 /nfs/dbraw/zinc/03/48/16/351034816.db2.gz LHXUMCGYSDBUBM-KRWDZBQOSA-N 0 1 268.360 2.812 20 30 CFEDMN C[C@@H]1CN(CC2(CC#N)CC2)Cc2ccccc2O1 ZINC000602842359 351042775 /nfs/dbraw/zinc/04/27/75/351042775.db2.gz UTSVWOOMSGKHOI-CYBMUJFWSA-N 0 1 256.349 2.963 20 30 CFEDMN C[C@@H]1C(=O)N(C)[C@H](C)[C@@H](C)N1CCCCC(C)(C)C#N ZINC000602846836 351044272 /nfs/dbraw/zinc/04/42/72/351044272.db2.gz HZPJRNGLVZLZTM-MGPQQGTHSA-N 0 1 279.428 2.646 20 30 CFEDMN CC[C@](C)(C(=O)OC)N(CC1CC1)CC1(CC#N)CC1 ZINC000602848973 351044320 /nfs/dbraw/zinc/04/43/20/351044320.db2.gz ZBWUQLUMVUFRBL-OAHLLOKOSA-N 0 1 278.396 2.734 20 30 CFEDMN COc1cccc([C@H](C)N2C[C@H](C)N(CC#N)[C@@H](C)C2)c1 ZINC000602852614 351044801 /nfs/dbraw/zinc/04/48/01/351044801.db2.gz DJEVHMQSSGUZCX-KKUMJFAQSA-N 0 1 287.407 2.674 20 30 CFEDMN CSc1ccccc1CN1C[C@@H](C)N(CC#N)[C@H](C)C1 ZINC000602853389 351046067 /nfs/dbraw/zinc/04/60/67/351046067.db2.gz IBPRHTVOPDCBDV-ZIAGYGMSSA-N 0 1 289.448 2.827 20 30 CFEDMN C[C@H](c1cccc(C#N)c1)N1C[C@H](C)N(CC#N)[C@@H](C)C1 ZINC000602853823 351046190 /nfs/dbraw/zinc/04/61/90/351046190.db2.gz MCCDBLBIZPUGDQ-SOUVJXGZSA-N 0 1 282.391 2.537 20 30 CFEDMN C[C@@H]1CN(C/C=C\c2ccccc2)C[C@@H](C)N1CC#N ZINC000602857819 351046971 /nfs/dbraw/zinc/04/69/71/351046971.db2.gz VJSJATPBSZNARA-PDTSHOSPSA-N 0 1 269.392 2.618 20 30 CFEDMN C[C@H](CC#N)NCCC(=O)Nc1ccccc1Cl ZINC000602864264 351051016 /nfs/dbraw/zinc/05/10/16/351051016.db2.gz RPPROVUHTFOHCX-SNVBAGLBSA-N 0 1 265.744 2.560 20 30 CFEDMN N#CCc1ccc(C[N@H+]2CCC[C@@H]2c2cn[nH]c2)cc1 ZINC000602880828 351056314 /nfs/dbraw/zinc/05/63/14/351056314.db2.gz MQDMRYGEJOSRGV-MRXNPFEDSA-N 0 1 266.348 2.813 20 30 CFEDMN N#Cc1ccc(F)c(CN2CCC[C@@H](n3ccnn3)CC2)c1 ZINC000602887318 351058515 /nfs/dbraw/zinc/05/85/15/351058515.db2.gz HJKBAYJZUYVISX-OAHLLOKOSA-N 0 1 299.353 2.516 20 30 CFEDMN C[C@@H]1CCN(Cc2ccc(C#N)cc2Cl)[C@H](CO)C1 ZINC000602930287 351069232 /nfs/dbraw/zinc/06/92/32/351069232.db2.gz BYLMOBNSIWZXJX-RISCZKNCSA-N 0 1 278.783 2.804 20 30 CFEDMN CN(CCCOCC(F)(F)F)[C@H]1CCC[C@H]1C#N ZINC000602977062 351078074 /nfs/dbraw/zinc/07/80/74/351078074.db2.gz XGGXFYDOHZQUKA-QWRGUYRKSA-N 0 1 264.291 2.579 20 30 CFEDMN Cc1ccccc1NC(=O)CCN(C)[C@H]1CCC[C@@H]1C#N ZINC000602979429 351079952 /nfs/dbraw/zinc/07/99/52/351079952.db2.gz DDXUVZGZJPXFNL-ZBFHGGJFSA-N 0 1 285.391 2.948 20 30 CFEDMN CN(CCC(=O)N(C)c1ccccc1)[C@@H]1CCC[C@H]1C#N ZINC000602980183 351081382 /nfs/dbraw/zinc/08/13/82/351081382.db2.gz MTICYMJHZQOEOO-GOEBONIOSA-N 0 1 285.391 2.664 20 30 CFEDMN Cc1[nH]n(-c2ccc(Cl)cc2)c(=O)c1CCC#N ZINC000603924126 351192025 /nfs/dbraw/zinc/19/20/25/351192025.db2.gz ZLYTUKXNMDRWSL-GFCCVEGCSA-N 0 1 261.712 2.982 20 30 CFEDMN C=CCOc1cccc(NC(=O)NCc2cc(C)[nH]n2)c1 ZINC000603573408 351174185 /nfs/dbraw/zinc/17/41/85/351174185.db2.gz OEMGSNISQXSRHA-UHFFFAOYSA-N 0 1 286.335 2.605 20 30 CFEDMN CCCCc1ccc(C(=O)NC2(C#N)CCN(C)CC2)cc1 ZINC000603884882 351189774 /nfs/dbraw/zinc/18/97/74/351189774.db2.gz BBLQWSDTHHLMOY-UHFFFAOYSA-N 0 1 299.418 2.747 20 30 CFEDMN CC(C)[C@@H](C#N)N1CCN([C@@H](C)c2ccccc2)CC1 ZINC000609538623 351506310 /nfs/dbraw/zinc/50/63/10/351506310.db2.gz MKBYGEBMLJJCJM-DOTOQJQBSA-N 0 1 271.408 2.913 20 30 CFEDMN CCN(CC)Cc1ccc(C(=O)N[C@H](C#N)CC(C)C)o1 ZINC000608823395 351477377 /nfs/dbraw/zinc/47/73/77/351477377.db2.gz DWVYDLONFUWROE-ZDUSSCGKSA-N 0 1 291.395 2.789 20 30 CFEDMN Cc1cc(NC(=O)[C@@H](C)N[C@@H](C)c2cccc(C#N)c2)on1 ZINC000610345855 351557045 /nfs/dbraw/zinc/55/70/45/351557045.db2.gz AJSWXGYHUANTBU-NWDGAFQWSA-N 0 1 298.346 2.533 20 30 CFEDMN COc1ccc(C#N)cc1CN1CCC[C@@H](n2ccnc2)C1 ZINC000610953441 351624421 /nfs/dbraw/zinc/62/44/21/351624421.db2.gz KYJDXVYHSHJTLZ-MRXNPFEDSA-N 0 1 296.374 2.600 20 30 CFEDMN CN(CCCOc1ccc(F)cc1)Cc1ccnc(C#N)c1 ZINC000610992100 351629956 /nfs/dbraw/zinc/62/99/56/351629956.db2.gz YWKQQSYUGUSHSQ-UHFFFAOYSA-N 0 1 299.349 2.993 20 30 CFEDMN CN(Cc1ccnc(C#N)c1)C[C@H]1OCCc2ccccc21 ZINC000610992226 351630419 /nfs/dbraw/zinc/63/04/19/351630419.db2.gz MFMMKHIJRCQSFQ-GOSISDBHSA-N 0 1 293.370 2.699 20 30 CFEDMN C[C@@H](NCC(=O)NC1CCCCC1)c1cccc(C#N)c1 ZINC000611387304 351678366 /nfs/dbraw/zinc/67/83/66/351678366.db2.gz JWGUGDZYFXYTRN-CYBMUJFWSA-N 0 1 285.391 2.658 20 30 CFEDMN C[C@@H](NCC(=O)NC1CCC(C)CC1)c1cccc(C#N)c1 ZINC000611388181 351679729 /nfs/dbraw/zinc/67/97/29/351679729.db2.gz YDPUTBQGIAOUAX-XOYHFGRZSA-N 0 1 299.418 2.904 20 30 CFEDMN Cc1cc(CN[C@@H](C)c2ccc(C#N)cc2F)n[nH]1 ZINC000611587389 351712233 /nfs/dbraw/zinc/71/22/33/351712233.db2.gz BYKNCPWHZBMNQJ-JTQLQIEISA-N 0 1 258.300 2.580 20 30 CFEDMN N#CCc1ccc(CN2CCC[C@H](OC(F)F)C2)cc1 ZINC000612121532 351778165 /nfs/dbraw/zinc/77/81/65/351778165.db2.gz BPNLJFIPNRULJM-AWEZNQCLSA-N 0 1 280.318 2.956 20 30 CFEDMN C[C@@H](NC(=O)c1cnccc1N(C)C)c1cccc(C#N)c1 ZINC000612745474 351858504 /nfs/dbraw/zinc/85/85/04/351858504.db2.gz LWQSSQOOXSOJRQ-GFCCVEGCSA-N 0 1 294.358 2.510 20 30 CFEDMN CC[C@H](CC#N)NC(=O)c1ccc(CN(CC)CC)o1 ZINC000613037956 351893005 /nfs/dbraw/zinc/89/30/05/351893005.db2.gz RQYOODVVFJJIBP-GFCCVEGCSA-N 0 1 277.368 2.543 20 30 CFEDMN Clc1cccc(C#CCN2CC[C@H](n3cccn3)C2)c1 ZINC000291972733 198122047 /nfs/dbraw/zinc/12/20/47/198122047.db2.gz VULDYHHBEVLRAX-INIZCTEOSA-N 0 1 285.778 2.835 20 30 CFEDMN C[C@@H]1CN(C)[C@@H](C)CN1c1nc(C(C)(C)C)ccc1C#N ZINC000613431423 351958284 /nfs/dbraw/zinc/95/82/84/351958284.db2.gz ZOQSRRIGUGEOMP-QWHCGFSZSA-N 0 1 286.423 2.780 20 30 CFEDMN C[C@H](C[S@](C)=O)N(C)Cc1ccc(C(C)(C)C#N)cc1 ZINC000614184072 352058128 /nfs/dbraw/zinc/05/81/28/352058128.db2.gz YUKGTKYXWJQJCD-XCLFUZPHSA-N 0 1 292.448 2.687 20 30 CFEDMN C[NH+](C)Cc1cccc(NC(=O)c2cc([O-])cc(C#N)c2)c1 ZINC000614363287 352085099 /nfs/dbraw/zinc/08/50/99/352085099.db2.gz SZRFBNPPJMTHSY-UHFFFAOYSA-N 0 1 295.342 2.578 20 30 CFEDMN COc1ccc([C@H](C)NCc2ccc(C#N)cn2)cc1OC ZINC000615092228 352152166 /nfs/dbraw/zinc/15/21/66/352152166.db2.gz MUQUKFMOPATEOB-LBPRGKRZSA-N 0 1 297.358 2.821 20 30 CFEDMN N#Cc1cc(CN[C@@H](c2cccnc2)C2CC2)ccn1 ZINC000614991341 352139563 /nfs/dbraw/zinc/13/95/63/352139563.db2.gz MSVONVVAYLHHJS-MRXNPFEDSA-N 0 1 264.332 2.589 20 30 CFEDMN C=CCOc1ccc(CN2CCCc3n[nH]cc3C2)cc1 ZINC000668844398 539849161 /nfs/dbraw/zinc/84/91/61/539849161.db2.gz DKAAPDHDTUEOER-UHFFFAOYSA-N 0 1 283.375 2.923 20 30 CFEDMN C[C@@H](c1cccnc1)N1CC[C@@H](Oc2ccc(C#N)cn2)C1 ZINC000292063701 198149350 /nfs/dbraw/zinc/14/93/50/198149350.db2.gz CDUYPUSTMZSFTL-XJKSGUPXSA-N 0 1 294.358 2.563 20 30 CFEDMN N#Cc1ccccc1CN1CCOC[C@@H](C2CCC2)C1 ZINC000292106766 198164873 /nfs/dbraw/zinc/16/48/73/198164873.db2.gz IOQMABCSUDQJCR-KRWDZBQOSA-N 0 1 270.376 2.807 20 30 CFEDMN CN(Cc1ccc(Cl)cc1C#N)C1(CO)CCC1 ZINC000292133195 198176403 /nfs/dbraw/zinc/17/64/03/198176403.db2.gz LKQSPUOVAQSHBP-UHFFFAOYSA-N 0 1 264.756 2.558 20 30 CFEDMN C[C@@H](N[C@@H](C)c1ccnn1C)c1cccc(C#N)c1 ZINC000618570165 352812906 /nfs/dbraw/zinc/81/29/06/352812906.db2.gz VSVLUHIVEQHKEX-NEPJUHHUSA-N 0 1 254.337 2.704 20 30 CFEDMN C=CCC1(NC(=O)[C@@H](C)Cc2cnc[nH]2)CCCC1 ZINC000619110715 352955935 /nfs/dbraw/zinc/95/59/35/352955935.db2.gz OAXRGEZDBUESMF-LBPRGKRZSA-N 0 1 261.369 2.593 20 30 CFEDMN CC(C)c1nc(CN(Cc2ccc(C#N)cc2)C2CC2)n[nH]1 ZINC000292284026 198230832 /nfs/dbraw/zinc/23/08/32/198230832.db2.gz YDIOPXCMQOSYNC-UHFFFAOYSA-N 0 1 295.390 2.964 20 30 CFEDMN C=C1C[C@H]2CC[C@@H](C1)N2C(=O)c1cn[nH]c1-c1ccccn1 ZINC000620303055 353148595 /nfs/dbraw/zinc/14/85/95/353148595.db2.gz HLFLXEHZTIBFKW-BETUJISGSA-N 0 1 294.358 2.795 20 30 CFEDMN CCC[C@@H](C)[C@H](CO)NCc1ccc(F)cc1C#N ZINC000566304231 290369655 /nfs/dbraw/zinc/36/96/55/290369655.db2.gz MKPJCUWRFNFSER-ABAIWWIYSA-N 0 1 264.344 2.584 20 30 CFEDMN C=CCOc1ccccc1CNCc1cn(C)nc1C ZINC000157712441 188334917 /nfs/dbraw/zinc/33/49/17/188334917.db2.gz TYOQOFWJFRRZMR-UHFFFAOYSA-N 0 1 271.364 2.583 20 30 CFEDMN C=CCC[C@H](NCc1cnnn1C)c1ccccc1 ZINC000158828693 188396213 /nfs/dbraw/zinc/39/62/13/188396213.db2.gz OIVGGKSRAMWXTC-HNNXBMFYSA-N 0 1 256.353 2.612 20 30 CFEDMN C=CC[C@@H]1CCCN(C(=O)[C@@H]2C[C@@H](C)Cc3c[nH]nc32)C1 ZINC000623227562 353596819 /nfs/dbraw/zinc/59/68/19/353596819.db2.gz XOJLVRMOKNSZIW-GZBFAFLISA-N 0 1 287.407 2.890 20 30 CFEDMN C=CCOCCNCc1cc(OCC)c(OC)cc1F ZINC000623487707 353655330 /nfs/dbraw/zinc/65/53/30/353655330.db2.gz NUPCADUSEHFXIZ-UHFFFAOYSA-N 0 1 283.343 2.525 20 30 CFEDMN C=CC(C)(C)CCNC(=O)N[C@H](C)Cc1cc(C)[nH]n1 ZINC000623778733 353723825 /nfs/dbraw/zinc/72/38/25/353723825.db2.gz AGZBGFUAIMZIQS-LLVKDONJSA-N 0 1 278.400 2.551 20 30 CFEDMN C=C[C@@H]1OCCC[C@H]1N[C@@H]1CCCc2scnc21 ZINC000623995024 353778722 /nfs/dbraw/zinc/77/87/22/353778722.db2.gz KVUWLBKFBBLXNY-UTUOFQBUSA-N 0 1 264.394 2.844 20 30 CFEDMN C=CC[C@H]1CCN(Cc2nc(-c3cc(C)ccn3)no2)C1 ZINC000625700962 354089336 /nfs/dbraw/zinc/08/93/36/354089336.db2.gz FYTZLOFBPTVOKG-ZDUSSCGKSA-N 0 1 284.363 2.838 20 30 CFEDMN C=CC[C@@H]1CCN(CC(=O)Nc2cc(C)ccc2OC)C1 ZINC000625702942 354090436 /nfs/dbraw/zinc/09/04/36/354090436.db2.gz KAGRRDYUEVLQSC-CQSZACIVSA-N 0 1 288.391 2.840 20 30 CFEDMN C=CC[C@@H]1CCN(CC(=O)Nc2ccc(Cl)cn2)C1 ZINC000625705396 354092386 /nfs/dbraw/zinc/09/23/86/354092386.db2.gz VCFZIWULRYBONV-LLVKDONJSA-N 0 1 279.771 2.572 20 30 CFEDMN CC#CCN[C@@H]1Cc2ccccc2O[C@H]1C(F)(F)F ZINC000625747691 354099960 /nfs/dbraw/zinc/09/99/60/354099960.db2.gz WYIMZXNLYDAACS-DGCLKSJQSA-N 0 1 269.266 2.534 20 30 CFEDMN C=C(C)CNC(=O)NC[C@@H](c1ccco1)N(CC)CC ZINC000163578694 188611186 /nfs/dbraw/zinc/61/11/86/188611186.db2.gz UEDSWKTYUNGNOZ-ZDUSSCGKSA-N 0 1 279.384 2.538 20 30 CFEDMN C=CCOc1c(Cl)cc(CN(C)CCOC)cc1OC ZINC000628129794 354441402 /nfs/dbraw/zinc/44/14/02/354441402.db2.gz VESOPTIPMPOUCZ-UHFFFAOYSA-N 0 1 299.798 2.992 20 30 CFEDMN C=CC(C)(C)CCNC(=O)c1cn[nH]c1-c1ccccn1 ZINC000628312951 354539504 /nfs/dbraw/zinc/53/95/04/354539504.db2.gz UYUGHFMGDVDKQK-UHFFFAOYSA-N 0 1 284.363 2.804 20 30 CFEDMN C#CC[C@H](NCC(=O)N(C(C)C)C(C)C)c1ccccc1 ZINC000271748420 191303595 /nfs/dbraw/zinc/30/35/95/191303595.db2.gz WZXHKCNBBJBGBD-KRWDZBQOSA-N 0 1 286.419 2.986 20 30 CFEDMN C=CCN1C(=O)N=NC1S[C@H]1CCCC[C@H]1C ZINC000629162729 354762425 /nfs/dbraw/zinc/76/24/25/354762425.db2.gz ZVAHNPNACVNZLG-ZJUUUORDSA-N 0 1 253.371 2.841 20 30 CFEDMN N#CCC[C@@H](C#N)CN1CC2(CCC2)[C@@H]1C1CCOCC1 ZINC000333381368 283052342 /nfs/dbraw/zinc/05/23/42/283052342.db2.gz KNSMGRAUQDGISE-HOCLYGCPSA-N 0 1 287.407 2.711 20 30 CFEDMN C=CCn1cc(-c2ccc(CN(C)C)c(F)c2)cn1 ZINC000629709476 354904325 /nfs/dbraw/zinc/90/43/25/354904325.db2.gz ZBHYJDLSYKWOOT-UHFFFAOYSA-N 0 1 259.328 2.937 20 30 CFEDMN C=C1CC(C)(C(=O)NCCC[N@H+]2CCc3ccccc3C2)C1 ZINC000630713334 355158087 /nfs/dbraw/zinc/15/80/87/355158087.db2.gz AMJFYHQHBZAXEW-UHFFFAOYSA-N 0 1 298.430 2.907 20 30 CFEDMN C=C1CC(C)(C(=O)NCc2nc3ccc(F)cc3[nH]2)C1 ZINC000631562447 355488353 /nfs/dbraw/zinc/48/83/53/355488353.db2.gz FNSJCMIZQYSMGU-UHFFFAOYSA-N 0 1 273.311 2.675 20 30 CFEDMN C=C1CC(C)(C(=O)N2CCC(c3cn[nH]c3C)CC2)C1 ZINC000632936522 355777095 /nfs/dbraw/zinc/77/70/95/355777095.db2.gz ZZZPUILSYBHJDT-UHFFFAOYSA-N 0 1 273.380 2.780 20 30 CFEDMN C=CC[C@H]1CCCN(C(=O)c2n[nH]cc2C(F)(F)F)C1 ZINC000633619513 355948926 /nfs/dbraw/zinc/94/89/26/355948926.db2.gz ZOKWCCMJMRYGFU-VIFPVBQESA-N 0 1 287.285 2.857 20 30 CFEDMN N#Cc1ccc(CN2CCC(CCCO)CC2)c(F)c1 ZINC000273028627 192024800 /nfs/dbraw/zinc/02/48/00/192024800.db2.gz UBQNRNWDXJNSGW-UHFFFAOYSA-N 0 1 276.355 2.682 20 30 CFEDMN C[C@@H]1CC[C@H](NC(=O)[C@@H]2CCc3[nH]nnc3C2)[C@H](C)C1 ZINC000329063238 540230128 /nfs/dbraw/zinc/23/01/28/540230128.db2.gz ZVGQGVANTZQLCB-KKOKHZNYSA-N 0 1 276.384 2.691 20 30 CFEDMN C[C@@H]1CC[C@H](NC(=O)[C@@H]2CCc3nn[nH]c3C2)[C@H](C)C1 ZINC000329063238 540230130 /nfs/dbraw/zinc/23/01/30/540230130.db2.gz ZVGQGVANTZQLCB-KKOKHZNYSA-N 0 1 276.384 2.691 20 30 CFEDMN COc1nccc(CN(Cc2ccc(C#N)cc2)C(C)C)n1 ZINC000294512341 199068146 /nfs/dbraw/zinc/06/81/46/199068146.db2.gz DHKSXXVQPTXXQW-UHFFFAOYSA-N 0 1 296.374 2.767 20 30 CFEDMN C=CCOCCN(C)Cc1cc(F)c(F)c(F)c1 ZINC000294546536 199079868 /nfs/dbraw/zinc/07/98/68/199079868.db2.gz KQTSRLXUPVWEMQ-UHFFFAOYSA-N 0 1 259.271 2.738 20 30 CFEDMN COc1ccc(CN(C)Cc2ccnc(C#N)c2)cc1C ZINC000610992459 540386549 /nfs/dbraw/zinc/38/65/49/540386549.db2.gz HFDMHEVSBRPKQD-UHFFFAOYSA-N 0 1 281.359 2.902 20 30 CFEDMN N#Cc1c(Cl)nsc1N1CCCC[C@H]1c1nnc[nH]1 ZINC000294879334 199228214 /nfs/dbraw/zinc/22/82/14/199228214.db2.gz FACPUKFNWMHOPG-QMMMGPOBSA-N 0 1 294.771 2.518 20 30 CFEDMN Cc1cc(C[N@@H+]2C[C@@H](C(=O)[O-])CC[C@H]2C)ccc1C#N ZINC000422637288 237116251 /nfs/dbraw/zinc/11/62/51/237116251.db2.gz QTOIAMPDVGGFQJ-DOMZBBRYSA-N 0 1 272.348 2.552 20 30 CFEDMN C=CCCc1noc(-c2cc(-c3c(C)nn(C)c3C)n[nH]2)n1 ZINC000297376656 200168607 /nfs/dbraw/zinc/16/86/07/200168607.db2.gz QSXCGRHMBZZQAQ-UHFFFAOYSA-N 0 1 298.350 2.596 20 30 CFEDMN C=CCN(CCn1c(C)csc1=O)Cc1ccccc1 ZINC000298306713 200390244 /nfs/dbraw/zinc/39/02/44/200390244.db2.gz MGYFVIYNMQFYBG-UHFFFAOYSA-N 0 1 288.416 2.906 20 30 CFEDMN C=CCNC(=O)[C@@H](C)N[C@H](C)c1ccccc1OC(F)F ZINC000298489009 200446492 /nfs/dbraw/zinc/44/64/92/200446492.db2.gz IFIHNCRWDCUJDW-GHMZBOCLSA-N 0 1 298.333 2.629 20 30 CFEDMN C=C(C)Cn1c(C(C)C)nnc1N1CCN(CC)[C@H](C)C1 ZINC000670207555 540790932 /nfs/dbraw/zinc/79/09/32/540790932.db2.gz HGSQUPVWADTCFE-CQSZACIVSA-N 0 1 291.443 2.508 20 30 CFEDMN C=CCNC(=O)CN[C@@H](C)c1sc(C(C)(C)C)nc1C ZINC000180028517 189233266 /nfs/dbraw/zinc/23/32/66/189233266.db2.gz WYRNEASGHUUTPG-JTQLQIEISA-N 0 1 295.452 2.702 20 30 CFEDMN N#Cc1cccnc1NCCc1nc2ccc(F)cc2[nH]1 ZINC000301571426 201075793 /nfs/dbraw/zinc/07/57/93/201075793.db2.gz XBJULDASMAAWFI-UHFFFAOYSA-N 0 1 281.294 2.623 20 30 CFEDMN C=CCN(Cc1ccccc1)C(=O)[C@H]1CCc2[nH]cnc2C1 ZINC000666265921 541078962 /nfs/dbraw/zinc/07/89/62/541078962.db2.gz SNYZGTQZLFIKOE-HNNXBMFYSA-N 0 1 295.386 2.729 20 30 CFEDMN N#Cc1cnc2cc[nH]c(-c3ccc(F)c(O)c3)c1-2 ZINC001243046379 781949726 /nfs/dbraw/zinc/94/97/26/781949726.db2.gz DZKSCYBARHBRHV-UHFFFAOYSA-N 0 1 253.236 2.946 20 30 CFEDMN C=CCN(CCc1ccco1)Cc1cnn2c1CCC2 ZINC000667947052 541347465 /nfs/dbraw/zinc/34/74/65/541347465.db2.gz DWPNWWUWFCVDLC-UHFFFAOYSA-N 0 1 271.364 2.653 20 30 CFEDMN C[C@H](NCc1n[nH]c(C(C)(C)C)n1)c1cccc(C#N)c1 ZINC000432775255 240041515 /nfs/dbraw/zinc/04/15/15/240041515.db2.gz HLXXEUUMFPIRLB-NSHDSACASA-N 0 1 283.379 2.825 20 30 CFEDMN Cc1nc2cc(NC(=O)c3ccc(C#N)c(O)c3)ccc2[nH]1 ZINC000442616250 240970831 /nfs/dbraw/zinc/97/08/31/240970831.db2.gz LUOTXHADOWBNFS-UHFFFAOYSA-N 0 1 292.298 2.701 20 30 CFEDMN COc1ccc(CNCc2ccc(C#N)c(C)c2)cc1O ZINC000443961999 241097141 /nfs/dbraw/zinc/09/71/41/241097141.db2.gz IOXOIRURXCLFMI-UHFFFAOYSA-N 0 1 282.343 2.871 20 30 CFEDMN CC(C)[C@H]1CCC[N@@H+](CC(=O)NCc2ccc(C#N)cc2)C1 ZINC000444764024 241187330 /nfs/dbraw/zinc/18/73/30/241187330.db2.gz ADPDAWHEGSIWMI-KRWDZBQOSA-N 0 1 299.418 2.542 20 30 CFEDMN C=C(C)CN(CC)C(=O)c1c(C)n[nH]c1C(F)(F)F ZINC000673734725 541509552 /nfs/dbraw/zinc/50/95/52/541509552.db2.gz XCSDJRSZRNSMFO-UHFFFAOYSA-N 0 1 275.274 2.775 20 30 CFEDMN C=CCC1(NC(=O)[C@@H]2C[C@H]2c2cnc[nH]2)CCCCC1 ZINC000635993830 383681409 /nfs/dbraw/zinc/68/14/09/383681409.db2.gz BHEZLAZCYYCECS-CHWSQXEVSA-N 0 1 273.380 2.908 20 30 CFEDMN CC[C@@H]1CN(CC)CCN1Cc1cc(C#N)cs1 ZINC000449564386 242034133 /nfs/dbraw/zinc/03/41/33/242034133.db2.gz AIKKAWUWYDEQTC-CYBMUJFWSA-N 0 1 263.410 2.536 20 30 CFEDMN Cc1cc(CN2CC[C@@H]([C@@H](O)C(F)(F)F)C2)ccc1C#N ZINC000449673944 242099627 /nfs/dbraw/zinc/09/96/27/242099627.db2.gz RFFPNKCVUWXOEH-ZIAGYGMSSA-N 0 1 298.308 2.612 20 30 CFEDMN Cn1cc(CNCc2ccc(C#N)c(F)c2)c(C(F)F)n1 ZINC000449736635 242124156 /nfs/dbraw/zinc/12/41/56/242124156.db2.gz NLGFTYANFMVOOD-UHFFFAOYSA-N 0 1 294.280 2.658 20 30 CFEDMN CC(C)(C)C[C@H]1CCN([C@H](C(N)=O)c2ccc(C#N)cc2)C1 ZINC000452079937 243035874 /nfs/dbraw/zinc/03/58/74/243035874.db2.gz OELIHXJYZRQNPZ-ZBFHGGJFSA-N 0 1 299.418 2.843 20 30 CFEDMN Cc1cc(C#N)cc(NC(=O)CN2[C@H](C)CC[C@@H]2C)c1 ZINC000456969256 244340739 /nfs/dbraw/zinc/34/07/39/244340739.db2.gz QJCQNBHPPXVZNR-BETUJISGSA-N 0 1 271.364 2.678 20 30 CFEDMN C#CCC1(C(=O)N[C@@H](C)c2n[nH]c(CC)n2)CCCCC1 ZINC000276441890 193332493 /nfs/dbraw/zinc/33/24/93/193332493.db2.gz HSHOWAJNXLLBOG-LBPRGKRZSA-N 0 1 288.395 2.518 20 30 CFEDMN Cc1nc([C@H]2CCCCN2Cc2cccc(C#N)c2F)n[nH]1 ZINC000331892817 204271647 /nfs/dbraw/zinc/27/16/47/204271647.db2.gz GQAMSDNBCQETRB-CQSZACIVSA-N 0 1 299.353 2.851 20 30 CFEDMN C[C@@H]1C[C@@H]2CCCC[C@@H]2N1Cc1ncc(C#N)cn1 ZINC000331925405 204300938 /nfs/dbraw/zinc/30/09/38/204300938.db2.gz HXFVGHTVNBMXAM-XBFCOCLRSA-N 0 1 256.353 2.501 20 30 CFEDMN C=CCN(Cc1cccs1)C(=O)c1cc(CC)[nH]n1 ZINC000032314272 372435585 /nfs/dbraw/zinc/43/55/85/372435585.db2.gz JIQXVESCROPBLX-UHFFFAOYSA-N 0 1 275.377 2.862 20 30 CFEDMN C[C@@H](N[C@@H](C)C(=O)N1CCCCC1)c1cccc(C#N)c1 ZINC000037784445 372707260 /nfs/dbraw/zinc/70/72/60/372707260.db2.gz YBIUYEKOYXFLKA-KGLIPLIRSA-N 0 1 285.391 2.610 20 30 CFEDMN C=CCNC(=O)[C@@H](C)N[C@H](C)c1cccc(Cl)c1 ZINC000037978054 372744998 /nfs/dbraw/zinc/74/49/98/372744998.db2.gz QTURQVBCMNUQID-GHMZBOCLSA-N 0 1 266.772 2.681 20 30 CFEDMN Cc1cccc(N(CCC#N)C(=O)CN2CC[C@@H](C)C2)c1C ZINC000263661339 383685196 /nfs/dbraw/zinc/68/51/96/383685196.db2.gz DPXUZKQRSMOYOB-CQSZACIVSA-N 0 1 299.418 2.892 20 30 CFEDMN Cc1ccc(N(CCC#N)C(=O)CN2CC[C@@H](C)C2)cc1C ZINC000263705716 383686119 /nfs/dbraw/zinc/68/61/19/383686119.db2.gz MGIJHKCYHPTDLS-CQSZACIVSA-N 0 1 299.418 2.892 20 30 CFEDMN N#Cc1c(F)cccc1CN1CC[C@@H]2C[C@H](O)CC[C@H]2C1 ZINC000451704699 383687054 /nfs/dbraw/zinc/68/70/54/383687054.db2.gz XLNZECLPXVURTP-VNHYZAJKSA-N 0 1 288.366 2.680 20 30 CFEDMN N#Cc1c(F)cccc1CN1CC[C@@H]2C[C@@H](O)CC[C@@H]2C1 ZINC000451704697 383687385 /nfs/dbraw/zinc/68/73/85/383687385.db2.gz XLNZECLPXVURTP-NFAWXSAZSA-N 0 1 288.366 2.680 20 30 CFEDMN N#Cc1c(CN2CCCC[C@H]2CCO)cn2ccccc12 ZINC000050105035 373353813 /nfs/dbraw/zinc/35/38/13/373353813.db2.gz MHTHSBXRWYTDMZ-HNNXBMFYSA-N 0 1 283.375 2.548 20 30 CFEDMN CCC(C#N)(CC)C(=O)N1CCC(c2cn[nH]c2C)CC1 ZINC000529315597 383689955 /nfs/dbraw/zinc/68/99/55/383689955.db2.gz MJDANNGJWSTRLJ-UHFFFAOYSA-N 0 1 288.395 2.754 20 30 CFEDMN Cc1ccccc1C(=O)Nc1nc(-c2ccccn2)n[nH]1 ZINC000064372436 373823546 /nfs/dbraw/zinc/82/35/46/373823546.db2.gz CVMMOCQIKJGXGK-UHFFFAOYSA-N 0 1 279.303 2.811 20 30 CFEDMN C=CCN(CC=C)C(=O)CN(C)[C@H](C)c1ccccc1 ZINC000066696333 373945280 /nfs/dbraw/zinc/94/52/80/373945280.db2.gz KNZUEYWGCFXADQ-OAHLLOKOSA-N 0 1 272.392 2.880 20 30 CFEDMN C=CCOc1cccc(NC(=O)CN2CCC(C)CC2)c1 ZINC000066213582 373920405 /nfs/dbraw/zinc/92/04/05/373920405.db2.gz JMMKBFXVNCMGHW-UHFFFAOYSA-N 0 1 288.391 2.922 20 30 CFEDMN Cc1ncsc1CN(C)CCOc1ccccc1C#N ZINC000066562994 373937119 /nfs/dbraw/zinc/93/71/19/373937119.db2.gz RIRAIVIPRRQLQQ-UHFFFAOYSA-N 0 1 287.388 2.834 20 30 CFEDMN CO[C@@H](C)C(=O)Nc1nc(-c2ccccc2Cl)n[nH]1 ZINC000068084197 374021999 /nfs/dbraw/zinc/02/19/99/374021999.db2.gz MQMVWZFDUHEMQW-ZETCQYMHSA-N 0 1 280.715 2.748 20 30 CFEDMN CN(CC(=O)Nc1ccc(C#N)c(Cl)c1)C1CCC1 ZINC000072721915 374279589 /nfs/dbraw/zinc/27/95/89/374279589.db2.gz RSIALUHJLQCSKT-UHFFFAOYSA-N 0 1 277.755 2.634 20 30 CFEDMN C[C@@H](C(=O)N(C)CCC#N)N1CCC[C@@H]1c1cccs1 ZINC000072879274 374297490 /nfs/dbraw/zinc/29/74/90/374297490.db2.gz MVHUAGGVBWYFLQ-QWHCGFSZSA-N 0 1 291.420 2.646 20 30 CFEDMN CCOC[C@H]1CCCN(Cc2ccc(C#N)cc2F)C1 ZINC000072975284 374308354 /nfs/dbraw/zinc/30/83/54/374308354.db2.gz HFFWXVXWKRHBLG-AWEZNQCLSA-N 0 1 276.355 2.946 20 30 CFEDMN C=CCN(CCC(=O)NC)Cc1ccc(Cl)s1 ZINC000073603514 374354590 /nfs/dbraw/zinc/35/45/90/374354590.db2.gz DYKQKTNKTMVBPP-UHFFFAOYSA-N 0 1 272.801 2.526 20 30 CFEDMN CCC[C@@]1(C)CCCN(CC(=O)N[C@@](C)(C#N)C(C)C)C1 ZINC000076146098 374538331 /nfs/dbraw/zinc/53/83/31/374538331.db2.gz OELJKJSJDLLLER-IRXDYDNUSA-N 0 1 293.455 2.943 20 30 CFEDMN C[C@H]1CN2CCCC[C@@H]2CN1C(=O)C1(C#N)CCCCC1 ZINC000083703884 374755456 /nfs/dbraw/zinc/75/54/56/374755456.db2.gz KFTHWHDSDRAINY-LSDHHAIUSA-N 0 1 289.423 2.546 20 30 CFEDMN Cc1ccc(C#N)cc1S(=O)(=O)Nc1ccsc1 ZINC000090867511 375033251 /nfs/dbraw/zinc/03/32/51/375033251.db2.gz SEOOZPRMFULADN-UHFFFAOYSA-N 0 1 278.358 2.729 20 30 CFEDMN Cc1[nH]nc2cc(NC(=O)c3cccc(C#N)c3)ccc12 ZINC000091827101 375064463 /nfs/dbraw/zinc/06/44/63/375064463.db2.gz AKSWNPLPSNUPHQ-UHFFFAOYSA-N 0 1 276.299 2.995 20 30 CFEDMN CCN(Cc1ccc(OC)c(C#N)c1)Cc1ccccn1 ZINC000094915668 375389587 /nfs/dbraw/zinc/38/95/87/375389587.db2.gz ANNRRSFCDNPDCX-UHFFFAOYSA-N 0 1 281.359 2.984 20 30 CFEDMN C=CCN(Cc1cccs1)C[C@H](O)COC(C)C ZINC000096990489 375496292 /nfs/dbraw/zinc/49/62/92/375496292.db2.gz WTZMEHPBGHHGAU-ZDUSSCGKSA-N 0 1 269.410 2.522 20 30 CFEDMN C#CCN1CCC(C(=O)N(C)[C@@H](C)c2cccs2)CC1 ZINC000098092923 375601898 /nfs/dbraw/zinc/60/18/98/375601898.db2.gz ALWJWYQUCQGVGV-ZDUSSCGKSA-N 0 1 290.432 2.613 20 30 CFEDMN Cc1[nH]nc2ncc(CN(C)Cc3cccc(C#N)c3)cc12 ZINC000507204649 247168082 /nfs/dbraw/zinc/16/80/82/247168082.db2.gz RYLLVDZVLKIXBJ-UHFFFAOYSA-N 0 1 291.358 2.770 20 30 CFEDMN Cc1[nH]nc2ncc(CN(C)Cc3ccc(C#N)cc3)cc12 ZINC000507213912 247168949 /nfs/dbraw/zinc/16/89/49/247168949.db2.gz QRKUUNCUBDPYTD-UHFFFAOYSA-N 0 1 291.358 2.770 20 30 CFEDMN COc1cc(CN(C)Cc2ccc(C#N)cc2)ccc1O ZINC000104195411 375773394 /nfs/dbraw/zinc/77/33/94/375773394.db2.gz IPDNLHNZKFKCHA-UHFFFAOYSA-N 0 1 282.343 2.904 20 30 CFEDMN C=CCCC[C@H](C)N1CCN(C(=O)N2CCCC2)CC1 ZINC000678714652 542060129 /nfs/dbraw/zinc/06/01/29/542060129.db2.gz HSOFHUBDOWVELX-HNNXBMFYSA-N 0 1 279.428 2.565 20 30 CFEDMN C=C(C)[C@H](CO)N[C@@H](C)c1ccccc1OC(F)F ZINC000678737069 542062743 /nfs/dbraw/zinc/06/27/43/542062743.db2.gz JPKGEAMRUGIGAD-JQWIXIFHSA-N 0 1 271.307 2.876 20 30 CFEDMN CCOC(=O)CCCN(CCC#N)CC(C)(C)C ZINC000109812776 375824648 /nfs/dbraw/zinc/82/46/48/375824648.db2.gz LXMSDZVIEWWUPE-UHFFFAOYSA-N 0 1 254.374 2.591 20 30 CFEDMN C=CC1CCN([C@@H](C)C(=O)Nc2cccc(C#N)c2)CC1 ZINC000111257761 375835897 /nfs/dbraw/zinc/83/58/97/375835897.db2.gz GRASOUIBCPTBKI-ZDUSSCGKSA-N 0 1 283.375 2.783 20 30 CFEDMN CCOC[C@H]1CCCN(Cc2cc(C#N)ccc2F)C1 ZINC000113936547 376042288 /nfs/dbraw/zinc/04/22/88/376042288.db2.gz GYNITWODCNLWOU-AWEZNQCLSA-N 0 1 276.355 2.946 20 30 CFEDMN CCCN(Cc1ccc(C#N)cc1)Cc1cncnc1 ZINC000119247565 376378349 /nfs/dbraw/zinc/37/83/49/376378349.db2.gz ZARWFPOYVITYIW-UHFFFAOYSA-N 0 1 266.348 2.760 20 30 CFEDMN CCCCn1ncc(C(=O)[C@H](C#N)c2ccccn2)c1C ZINC000121946386 376919100 /nfs/dbraw/zinc/91/91/00/376919100.db2.gz QQZJJOXAVVLVID-CYBMUJFWSA-N 0 1 282.347 2.877 20 30 CFEDMN C=CCC[C@H](O)CN(Cc1ccco1)C[C@@H]1CCCO1 ZINC000123772688 376977330 /nfs/dbraw/zinc/97/73/30/376977330.db2.gz VTZWQFRDIYIFCB-HOCLYGCPSA-N 0 1 279.380 2.588 20 30 CFEDMN COc1ccc(C#N)cc1CN1CCS[C@H](C)[C@@H]1C ZINC000125246264 377133147 /nfs/dbraw/zinc/13/31/47/377133147.db2.gz HAGGXENIVFABFW-NWDGAFQWSA-N 0 1 276.405 2.893 20 30 CFEDMN CC[C@H](C)NC(=O)[C@@H](C)NC1CC(C#N)(c2ccccc2)C1 ZINC000126404836 377226385 /nfs/dbraw/zinc/22/63/85/377226385.db2.gz ITHQFXKJGIEDHK-YULBZUTISA-N 0 1 299.418 2.503 20 30 CFEDMN C=CCC(CC=C)C(=O)Nc1nc(-c2ccco2)n[nH]1 ZINC000130389542 377550068 /nfs/dbraw/zinc/55/00/68/377550068.db2.gz LGPMKNFLGDAYIY-UHFFFAOYSA-N 0 1 272.308 2.772 20 30 CFEDMN C=CCOCCN[C@H]1CCc2c1c(F)ccc2F ZINC000679463264 542192713 /nfs/dbraw/zinc/19/27/13/542192713.db2.gz SKLFIASXGWMZHN-ZDUSSCGKSA-N 0 1 253.292 2.744 20 30 CFEDMN COCC#CCN1CCC[C@H]1/C=C\c1ccccc1 ZINC000679545001 542206238 /nfs/dbraw/zinc/20/62/38/542206238.db2.gz JLWPNBUFZYYWRB-CPFIRTDXSA-N 0 1 255.361 2.814 20 30 CFEDMN COc1cc(CNc2cccc(C#N)c2)cc([N+](=O)[O-])c1O ZINC000132876470 377883697 /nfs/dbraw/zinc/88/36/97/377883697.db2.gz SCDQJCBLCPHDDG-UHFFFAOYSA-N 0 1 299.286 2.793 20 30 CFEDMN C=CCC[C@@H](O)CN1C[C@@H](C)OC[C@H]1c1ccccc1 ZINC000132585225 377855220 /nfs/dbraw/zinc/85/52/20/377855220.db2.gz ZLRJRRJPEAJYKN-OIISXLGYSA-N 0 1 275.392 2.776 20 30 CFEDMN CCN(CCC#N)C(=O)[C@@H](c1ccccc1)N(CC)CC ZINC000133425246 377929135 /nfs/dbraw/zinc/92/91/35/377929135.db2.gz QBQTUXWOFPMQKM-MRXNPFEDSA-N 0 1 287.407 2.832 20 30 CFEDMN CC(C)C(N)=NOCc1ccccc1OC(F)F ZINC000133652248 377947944 /nfs/dbraw/zinc/94/79/44/377947944.db2.gz RJKDNUAIGJFPEV-UHFFFAOYSA-N 0 1 258.268 2.733 20 30 CFEDMN CCN(Cc1ccccc1C)[C@H](C)C(=O)N(C)CCC#N ZINC000133994786 377973797 /nfs/dbraw/zinc/97/37/97/377973797.db2.gz IZWKXWHSVKHSOG-OAHLLOKOSA-N 0 1 287.407 2.578 20 30 CFEDMN CS[C@@H]1CCCCN(C[C@H](C#N)CCC#N)C1 ZINC000134613145 378038419 /nfs/dbraw/zinc/03/84/19/378038419.db2.gz UVIKWSGIGGUHHP-QWHCGFSZSA-N 0 1 251.399 2.647 20 30 CFEDMN C=CCCCN(C)CC(=O)Nc1nnc(CC(C)C)s1 ZINC000137535216 378227219 /nfs/dbraw/zinc/22/72/19/378227219.db2.gz QRAWFDSAAWRYTJ-UHFFFAOYSA-N 0 1 296.440 2.573 20 30 CFEDMN C[C@H](C(=O)Nc1ccccc1C#N)N1C[C@@H]2CCC[C@@H]2C1 ZINC000148075937 378255060 /nfs/dbraw/zinc/25/50/60/378255060.db2.gz ACBHNRMRRNBISI-YUELXQCFSA-N 0 1 283.375 2.617 20 30 CFEDMN CCC[C@@H]1C[C@H](C(=O)N[C@H]2CCc3nc[nH]c3C2)CCO1 ZINC000329321822 378453222 /nfs/dbraw/zinc/45/32/22/378453222.db2.gz JIQMGZCYVRIJHN-FRRDWIJNSA-N 0 1 291.395 2.819 20 30 CFEDMN C[C@H](NC(=O)N[C@@H]1CC[C@@H]2CCCC[C@@H]2C1)c1nnc[nH]1 ZINC000329581974 378465102 /nfs/dbraw/zinc/46/51/02/378465102.db2.gz XFUXEWDVYWLMID-WUHRBBMRSA-N 0 1 291.399 2.728 20 30 CFEDMN C=C(C)COCCNCc1nc2c(s1)C[C@H](C)CC2 ZINC000153012380 378467349 /nfs/dbraw/zinc/46/73/49/378467349.db2.gz ANHRPQFOGDIWJG-GFCCVEGCSA-N 0 1 280.437 2.950 20 30 CFEDMN CC1(C)C[C@@H]1CNC(=O)N1CC[C@@H](n2cc(Cl)cn2)C1 ZINC000329616878 378471273 /nfs/dbraw/zinc/47/12/73/378471273.db2.gz PZQDVHLPQXCJIW-ZYHUDNBSSA-N 0 1 296.802 2.743 20 30 CFEDMN CCc1nc([C@@H](C)NC(=O)N[C@H]2CC[C@H](C)CC2)n[nH]1 ZINC000328915930 378439953 /nfs/dbraw/zinc/43/99/53/378439953.db2.gz KAFKEERDVNMFON-GMTAPVOTSA-N 0 1 279.388 2.510 20 30 CFEDMN C[C@@H]1CC[C@H](C)N1C(=O)N[C@@H]1CCCc2cn[nH]c21 ZINC000330139373 378523835 /nfs/dbraw/zinc/52/38/35/378523835.db2.gz OVABVOFFHKJWMR-JFGNBEQYSA-N 0 1 262.357 2.574 20 30 CFEDMN Cc1ccn2cc(C(=O)N[C@@H]3CCCc4cn[nH]c43)nc2c1 ZINC000330133040 378524768 /nfs/dbraw/zinc/52/47/68/378524768.db2.gz QUADNDRWMPXSFO-GFCCVEGCSA-N 0 1 295.346 2.748 20 30 CFEDMN N#Cc1c(CN2CC[C@@H]3OCCC[C@@H]3C2)cn2ccccc12 ZINC000153146015 378476852 /nfs/dbraw/zinc/47/68/52/378476852.db2.gz SMPLPTGJTMWGPZ-KDOFPFPSSA-N 0 1 295.386 2.812 20 30 CFEDMN N#Cc1c(CN2CC[C@H]3OCCC[C@@H]3C2)cn2ccccc12 ZINC000153145895 378477165 /nfs/dbraw/zinc/47/71/65/378477165.db2.gz SMPLPTGJTMWGPZ-RDTXWAMCSA-N 0 1 295.386 2.812 20 30 CFEDMN Cc1nc(C)c(C(=O)N[C@H]2CCN(Cc3ccccc3)C2)o1 ZINC000329682197 378481341 /nfs/dbraw/zinc/48/13/41/378481341.db2.gz XFUOVINXCULDBW-HNNXBMFYSA-N 0 1 299.374 2.871 20 30 CFEDMN Cc1cccc2nc(CNCc3ccc(C#N)o3)[nH]c21 ZINC000153593306 378498186 /nfs/dbraw/zinc/49/81/86/378498186.db2.gz WNTQDJVATBNFIE-UHFFFAOYSA-N 0 1 266.304 2.626 20 30 CFEDMN CC1(C)C(CNC(=O)N[C@@H]2CCCc3cn[nH]c32)C1(C)C ZINC000329943993 378515803 /nfs/dbraw/zinc/51/58/03/378515803.db2.gz DWMXFCHUZXOZEZ-LLVKDONJSA-N 0 1 290.411 2.973 20 30 CFEDMN O=C(NCC1(C(F)F)CC1)[C@@H]1CCCc2[nH]ncc21 ZINC000329948786 378517032 /nfs/dbraw/zinc/51/70/32/378517032.db2.gz ZKFTUXULBOBDAY-MRVPVSSYSA-N 0 1 269.295 2.831 20 30 CFEDMN C=C(C)C[C@@H](C)C(=O)N1CCCC[C@H]1c1n[nH]c(C)n1 ZINC000330407232 378547707 /nfs/dbraw/zinc/54/77/07/378547707.db2.gz ZHVIXYHQOKRRRL-YPMHNXCESA-N 0 1 276.384 2.769 20 30 CFEDMN Cc1n[nH]c(C(C)C)c1C(=O)NCc1nncn1C(C)C ZINC000330518613 378576362 /nfs/dbraw/zinc/57/63/62/378576362.db2.gz GJIFVRNSMUXOON-UHFFFAOYSA-N 0 1 290.371 2.519 20 30 CFEDMN C#CCN(CC[S@](=O)c1ccccc1)C1CCCC1 ZINC000155770939 378632287 /nfs/dbraw/zinc/63/22/87/378632287.db2.gz JHWCAOYLIQDRMV-LJQANCHMSA-N 0 1 275.417 2.672 20 30 CFEDMN CN(CC#Cc1ccc(F)cc1)C[C@@H]1CCCCO1 ZINC000156303613 378638179 /nfs/dbraw/zinc/63/81/79/378638179.db2.gz RCFYGPHYZMZJFY-INIZCTEOSA-N 0 1 261.340 2.678 20 30 CFEDMN C=CCN(Cc1ccc(OC)cc1)C(=O)c1cc(C)[nH]n1 ZINC000154704791 378589007 /nfs/dbraw/zinc/58/90/07/378589007.db2.gz IRYXZCQIFSJSIJ-UHFFFAOYSA-N 0 1 285.347 2.555 20 30 CFEDMN C[C@H]1CC[C@H](C)N1CC(=O)Nc1ccc(F)c(C#N)c1 ZINC000330993407 378611664 /nfs/dbraw/zinc/61/16/64/378611664.db2.gz ZCDILINKNZWFFR-QWRGUYRKSA-N 0 1 275.327 2.509 20 30 CFEDMN C=CCN(Cc1cccs1)Cc1n[nH]c(CC)n1 ZINC000157473280 378656135 /nfs/dbraw/zinc/65/61/35/378656135.db2.gz FLTXDOJUTVPCTL-UHFFFAOYSA-N 0 1 262.382 2.617 20 30 CFEDMN CC(C)C(=O)N[C@H]1CCCN([C@H](C)c2cccc(C#N)c2)C1 ZINC000331285042 378662845 /nfs/dbraw/zinc/66/28/45/378662845.db2.gz XNWYRHPPJGMMDC-PBHICJAKSA-N 0 1 299.418 2.856 20 30 CFEDMN CC(C)OC(=O)CC[N@@H+](CCC#N)CC(C)(C)C ZINC000157979025 378662976 /nfs/dbraw/zinc/66/29/76/378662976.db2.gz OXKCKJQGVUSOBZ-UHFFFAOYSA-N 0 1 254.374 2.590 20 30 CFEDMN CC(C)OC(=O)CCN(CCC#N)CC(C)(C)C ZINC000157979025 378662979 /nfs/dbraw/zinc/66/29/79/378662979.db2.gz OXKCKJQGVUSOBZ-UHFFFAOYSA-N 0 1 254.374 2.590 20 30 CFEDMN CC(C)C(=O)N[C@@H]1CCCN([C@@H](C)c2cccc(C#N)c2)C1 ZINC000331285044 378663067 /nfs/dbraw/zinc/66/30/67/378663067.db2.gz XNWYRHPPJGMMDC-WMLDXEAASA-N 0 1 299.418 2.856 20 30 CFEDMN CC(C)[C@](C)(C#N)NC(=O)CN1CCC2(CCCC2)CC1 ZINC000158417099 378667955 /nfs/dbraw/zinc/66/79/55/378667955.db2.gz IJWXHSHWUAQGQX-INIZCTEOSA-N 0 1 291.439 2.697 20 30 CFEDMN C=C(C)CN(CC)Cc1cnc2ccc(C#N)cn12 ZINC000158996196 378680685 /nfs/dbraw/zinc/68/06/85/378680685.db2.gz IJUHMZUZSKOCSO-UHFFFAOYSA-N 0 1 254.337 2.604 20 30 CFEDMN CC(C)(C)CN(CCC#N)CCC(=O)OC(C)(C)C ZINC000157246367 378652359 /nfs/dbraw/zinc/65/23/59/378652359.db2.gz RQQXZHPUNGYIIV-UHFFFAOYSA-N 0 1 268.401 2.980 20 30 CFEDMN Cc1n[nH]c([C@@H]2CCCN(Cc3ccc(F)cc3C#N)C2)n1 ZINC000332382812 378756081 /nfs/dbraw/zinc/75/60/81/378756081.db2.gz YZTPOQQHTIVKQL-CYBMUJFWSA-N 0 1 299.353 2.504 20 30 CFEDMN Cc1nnc([C@@H]2CCCN(Cc3ccc(F)cc3C#N)C2)[nH]1 ZINC000332382812 378756092 /nfs/dbraw/zinc/75/60/92/378756092.db2.gz YZTPOQQHTIVKQL-CYBMUJFWSA-N 0 1 299.353 2.504 20 30 CFEDMN N#Cc1cccc(C(=O)CSc2nc(C3CC3)n[nH]2)c1 ZINC000160753219 378797142 /nfs/dbraw/zinc/79/71/42/378797142.db2.gz ZEQKXWCFOIJSKY-UHFFFAOYSA-N 0 1 284.344 2.529 20 30 CFEDMN N#Cc1cccc(C(=O)CSc2n[nH]c(C3CC3)n2)c1 ZINC000160753219 378797150 /nfs/dbraw/zinc/79/71/50/378797150.db2.gz ZEQKXWCFOIJSKY-UHFFFAOYSA-N 0 1 284.344 2.529 20 30 CFEDMN C[C@@H](CC#N)N(C)C[C@@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC000161820723 378873519 /nfs/dbraw/zinc/87/35/19/378873519.db2.gz LAPLQWCDDBQUKG-KBPBESRZSA-N 0 1 295.427 2.867 20 30 CFEDMN CC(C)n1cc(C#N)c(=NC(=O)[C@H]2CCCC(F)(F)C2)[nH]1 ZINC000334266919 379004548 /nfs/dbraw/zinc/00/45/48/379004548.db2.gz ZLSXIUBATQELMG-JTQLQIEISA-N 0 1 296.321 2.522 20 30 CFEDMN Cc1c(CN2CC=C(c3ccc(C#N)cc3)CC2)cnn1C ZINC000334300181 379057277 /nfs/dbraw/zinc/05/72/77/379057277.db2.gz SXRGKKGVSIVFPT-UHFFFAOYSA-N 0 1 292.386 2.890 20 30 CFEDMN C#C[C@@H](C)NCc1ccc(Br)cc1F ZINC000166514735 379058267 /nfs/dbraw/zinc/05/82/67/379058267.db2.gz RFUOWDWURRPWOH-MRVPVSSYSA-N 0 1 256.118 2.700 20 30 CFEDMN C=C[C@@H]1CCCCN1Cc1ccc2c(c1)NC(=O)CO2 ZINC000335313005 379065680 /nfs/dbraw/zinc/06/56/80/379065680.db2.gz IGDIANZIXLJVBJ-CYBMUJFWSA-N 0 1 272.348 2.558 20 30 CFEDMN CC(C)Oc1cccc(C(=O)[C@@H](C#N)c2ccccn2)n1 ZINC000167142292 379069017 /nfs/dbraw/zinc/06/90/17/379069017.db2.gz SQOBUGDJEQOBSN-LBPRGKRZSA-N 0 1 281.315 2.754 20 30 CFEDMN C=C(C)CN(CC)CC(=O)N[C@@H](C)c1ccc(F)cc1 ZINC000048617365 412910325 /nfs/dbraw/zinc/91/03/25/412910325.db2.gz GMYUZERWHKGPPA-ZDUSSCGKSA-N 0 1 278.371 2.901 20 30 CFEDMN CC(C)(C)CCN1C[C@@H](C#N)[C@]2(C1)c1ccccc1NC2=O ZINC000334415203 379259439 /nfs/dbraw/zinc/25/94/39/379259439.db2.gz WWGBDMSDPKCZJC-FZKQIMNGSA-N 0 1 297.402 2.768 20 30 CFEDMN COC(=O)c1cccc2c1CCN([C@@H]1CC[C@@H](C#N)C1)C2 ZINC000334514004 379431188 /nfs/dbraw/zinc/43/11/88/379431188.db2.gz OOOYHDAEXPSMOT-TZMCWYRMSA-N 0 1 284.359 2.524 20 30 CFEDMN CC(C)(C)[C@H]1CC[N@@H+](Cc2ccc(C#N)s2)C[C@H]1O ZINC000334502552 379405827 /nfs/dbraw/zinc/40/58/27/379405827.db2.gz BKBGNIJDWHUXHG-UONOGXRCSA-N 0 1 278.421 2.849 20 30 CFEDMN CC(C)(C)[C@H]1CCN(Cc2ccc(C#N)s2)C[C@H]1O ZINC000334502552 379405831 /nfs/dbraw/zinc/40/58/31/379405831.db2.gz BKBGNIJDWHUXHG-UONOGXRCSA-N 0 1 278.421 2.849 20 30 CFEDMN C[C@H]1C[C@@H](CO)CCN1Cc1ccc(C#N)cc1Cl ZINC000334589473 379585456 /nfs/dbraw/zinc/58/54/56/379585456.db2.gz VNZUOBPMUCDZMP-AAEUAGOBSA-N 0 1 278.783 2.804 20 30 CFEDMN N#Cc1ccc(F)c(CN2CC[C@@H](O)CC23CCC3)c1 ZINC000335607427 379595200 /nfs/dbraw/zinc/59/52/00/379595200.db2.gz DGASCYLBGMLFCD-CQSZACIVSA-N 0 1 274.339 2.577 20 30 CFEDMN Cn1cc(C#N)c(=NC(=O)c2ccc(C3=CCCC3)cc2)[nH]1 ZINC000334595907 379597021 /nfs/dbraw/zinc/59/70/21/379597021.db2.gz IBCAWNPXVHVPGO-UHFFFAOYSA-N 0 1 292.342 2.533 20 30 CFEDMN C=CCCN(CC)CC(=O)Nc1c(F)cccc1F ZINC000172618980 379608742 /nfs/dbraw/zinc/60/87/42/379608742.db2.gz YLUNOZFPCSTYLX-UHFFFAOYSA-N 0 1 268.307 2.801 20 30 CFEDMN C#CCN1CCC(C(=O)Nc2ncc(C(C)C)s2)CC1 ZINC000172674525 379619518 /nfs/dbraw/zinc/61/95/18/379619518.db2.gz RFMNGLQMDFOPHG-UHFFFAOYSA-N 0 1 291.420 2.550 20 30 CFEDMN CC1CCN(Cc2nnc(-c3ccc(C#N)cc3)o2)CC1 ZINC000173494574 379743970 /nfs/dbraw/zinc/74/39/70/379743970.db2.gz XANPZBRBKGZDTK-UHFFFAOYSA-N 0 1 282.347 2.840 20 30 CFEDMN C=C(C)CN1CC[C@]2(C1)CC(=O)c1ccccc1O2 ZINC000334648231 379705632 /nfs/dbraw/zinc/70/56/32/379705632.db2.gz SFBNQOAQNLMBFF-MRXNPFEDSA-N 0 1 257.333 2.672 20 30 CFEDMN Cc1cscc1NS(=O)(=O)c1ccc(C#N)c(F)c1 ZINC000335735752 379804149 /nfs/dbraw/zinc/80/41/49/379804149.db2.gz ARYCJYJCCDAHAT-UHFFFAOYSA-N 0 1 296.348 2.868 20 30 CFEDMN C=C1CCN(C(=O)c2ccc(O)c(Cl)c2)CC1 ZINC000264448823 383740354 /nfs/dbraw/zinc/74/03/54/383740354.db2.gz DIDYVAYWVCVLPY-UHFFFAOYSA-N 0 1 251.713 2.838 20 30 CFEDMN N#Cc1cccc(CN2CCC[C@@]3(CCOC3)C2)c1F ZINC000334689792 379770905 /nfs/dbraw/zinc/77/09/05/379770905.db2.gz OIHZVIGQSGTJNE-MRXNPFEDSA-N 0 1 274.339 2.700 20 30 CFEDMN C[C@@H]1CC[C@H]([N@@H+](C)Cc2cnc3ccc(C#N)cn23)C1 ZINC000335715750 379773786 /nfs/dbraw/zinc/77/37/86/379773786.db2.gz SBKPJUTTXNEBNQ-OCCSQVGLSA-N 0 1 268.364 2.826 20 30 CFEDMN N#Cc1ccc(CN2CCC[C@H](n3cccn3)C2)cc1F ZINC000335752293 379831395 /nfs/dbraw/zinc/83/13/95/379831395.db2.gz GNEZIDBNSANHKN-HNNXBMFYSA-N 0 1 284.338 2.731 20 30 CFEDMN C=CCCCC(=O)NC[C@H](c1ccco1)N1CCCC1 ZINC000175073956 379990015 /nfs/dbraw/zinc/99/00/15/379990015.db2.gz AQUUKIIKXCHTIE-CQSZACIVSA-N 0 1 276.380 2.889 20 30 CFEDMN N#Cc1ccc(C[N@H+]2C[C@H](O)C[C@@H]2c2ccccc2)cc1 ZINC000335249408 380080199 /nfs/dbraw/zinc/08/01/99/380080199.db2.gz PTMADJSNXUIOSD-QZTJIDSGSA-N 0 1 278.355 2.866 20 30 CFEDMN N#C[C@@H]1CC[C@@H](NCc2cn3cc(Cl)ccc3n2)C1 ZINC000336053254 380258915 /nfs/dbraw/zinc/25/89/15/380258915.db2.gz QSWWTZRWHJJPAO-ZYHUDNBSSA-N 0 1 274.755 2.770 20 30 CFEDMN C=C1CCN(C(=O)[C@@H](c2ccccc2)N(C)CC)CC1 ZINC000264475746 383745006 /nfs/dbraw/zinc/74/50/06/383745006.db2.gz KDJLZYQARZHSFX-MRXNPFEDSA-N 0 1 272.392 2.858 20 30 CFEDMN CC#CCN1CC2(CCOCC2)[C@@H]1c1ccccc1 ZINC000336279984 380305204 /nfs/dbraw/zinc/30/52/04/380305204.db2.gz KXQCPDBKUHWCTM-INIZCTEOSA-N 0 1 255.361 2.863 20 30 CFEDMN C[C@@]1(O)CCN(Cc2ccc(C#N)cc2C(F)(F)F)C1 ZINC000336492016 380360326 /nfs/dbraw/zinc/36/03/26/380360326.db2.gz URBPPHPOWZNXIZ-CYBMUJFWSA-N 0 1 284.281 2.534 20 30 CFEDMN N#Cc1cc(Br)ccc1CSc1cn[nH]n1 ZINC000336554247 380457266 /nfs/dbraw/zinc/45/72/66/380457266.db2.gz MLSYKMCLRCIJIR-UHFFFAOYSA-N 0 1 295.165 2.731 20 30 CFEDMN N#Cc1c(F)cccc1CN1CCC[C@@H]([C@H]2CCOC2)C1 ZINC000336541135 380438915 /nfs/dbraw/zinc/43/89/15/380438915.db2.gz SKPXIVQUUKZMBJ-HIFRSBDPSA-N 0 1 288.366 2.946 20 30 CFEDMN N#Cc1cc(F)ccc1CN1CCC[C@@H]([C@H]2CCOC2)C1 ZINC000336543280 380442879 /nfs/dbraw/zinc/44/28/79/380442879.db2.gz QKJVZYIQALQKLN-HIFRSBDPSA-N 0 1 288.366 2.946 20 30 CFEDMN C=C[C@@H]1CCCC[N@@H+]1Cc1cnc2c(c1)c(C)nn2C ZINC000336569040 380480085 /nfs/dbraw/zinc/48/00/85/380480085.db2.gz FAZJFUQDIKLWCF-CQSZACIVSA-N 0 1 270.380 2.817 20 30 CFEDMN C=C[C@@H]1CCCCN1Cc1cnc2c(c1)c(C)nn2C ZINC000336569040 380480091 /nfs/dbraw/zinc/48/00/91/380480091.db2.gz FAZJFUQDIKLWCF-CQSZACIVSA-N 0 1 270.380 2.817 20 30 CFEDMN N#Cc1ccc(F)cc1CN1CCC[C@H]2COCC[C@@H]21 ZINC000336605451 380535977 /nfs/dbraw/zinc/53/59/77/380535977.db2.gz VPDMYOHUDWVHCO-BBRMVZONSA-N 0 1 274.339 2.698 20 30 CFEDMN C=CCCC[C@H](C)NC(=O)Cc1[nH]nc2ccccc21 ZINC000179797644 380581828 /nfs/dbraw/zinc/58/18/28/380581828.db2.gz KCPLDOCPKONHMK-LBPRGKRZSA-N 0 1 271.364 2.966 20 30 CFEDMN CCN(CCC#N)C(=O)CN[C@H](C)c1ccc(C)c(F)c1 ZINC000181337717 380777640 /nfs/dbraw/zinc/77/76/40/380777640.db2.gz SQGJUFACDOZBQO-CYBMUJFWSA-N 0 1 291.370 2.547 20 30 CFEDMN C[C@H](NCC(=O)Nc1ccc(C#N)cc1)c1cccc(O)c1 ZINC000181545190 380821652 /nfs/dbraw/zinc/82/16/52/380821652.db2.gz WRYVLZARHVETEH-LBPRGKRZSA-N 0 1 295.342 2.553 20 30 CFEDMN C=CCN(CC=C)C(=O)[C@@H](C)N[C@@H](C)c1cccc(O)c1 ZINC000181564932 380829060 /nfs/dbraw/zinc/82/90/60/380829060.db2.gz HBBOLGPTBRPYRV-UONOGXRCSA-N 0 1 288.391 2.632 20 30 CFEDMN N#Cc1cccc(C2(NCc3cnc4ccccn34)CC2)c1 ZINC000341240284 380855263 /nfs/dbraw/zinc/85/52/63/380855263.db2.gz TZMSKLIKWYTSLD-UHFFFAOYSA-N 0 1 288.354 2.985 20 30 CFEDMN CC(C)N(CCO)Cc1ccc(Br)cc1C#N ZINC000287542480 380860912 /nfs/dbraw/zinc/86/09/12/380860912.db2.gz ZZSHRWXEKKTAHJ-UHFFFAOYSA-N 0 1 297.196 2.523 20 30 CFEDMN C[C@@H](C(=O)Nc1cccc(C#N)c1)N1C[C@H]2CCCC[C@H]21 ZINC000368001835 380881340 /nfs/dbraw/zinc/88/13/40/380881340.db2.gz RJOIFRMFAXMJFJ-JGGQBBKZSA-N 0 1 283.375 2.760 20 30 CFEDMN C=C(CC)CN1CCNC(=O)C[C@H]1c1ccccc1 ZINC000358494862 380882190 /nfs/dbraw/zinc/88/21/90/380882190.db2.gz GDOBTMRZQCJPJP-HNNXBMFYSA-N 0 1 258.365 2.516 20 30 CFEDMN C[C@H](NCCC(=O)NC(C)(C)C)c1ccc(C#N)cc1F ZINC000358562321 380929912 /nfs/dbraw/zinc/92/99/12/380929912.db2.gz UILFGQLIWHAVFP-NSHDSACASA-N 0 1 291.370 2.653 20 30 CFEDMN CC[C@H](C)N(CCO)Cc1ccc(Cl)cc1C#N ZINC000287625611 380890548 /nfs/dbraw/zinc/89/05/48/380890548.db2.gz ZZPSXWVWMGGWFO-NSHDSACASA-N 0 1 266.772 2.804 20 30 CFEDMN C=CCN(CCc1ccccc1)C(=O)C[N@H+](C)CCC ZINC000358588538 380951024 /nfs/dbraw/zinc/95/10/24/380951024.db2.gz KJDKEVQQFIOHGV-UHFFFAOYSA-N 0 1 274.408 2.586 20 30 CFEDMN C=CCCCNC(=O)N[C@@H](C)c1n[nH]c([C@@H](C)CC)n1 ZINC000279280251 194366761 /nfs/dbraw/zinc/36/67/61/194366761.db2.gz LJWBBBSUFVVGJK-QWRGUYRKSA-N 0 1 279.388 2.645 20 30 CFEDMN C=CCN(Cc1ccccc1)[C@@H](C)c1n[nH]c(C)n1 ZINC000411135740 381010875 /nfs/dbraw/zinc/01/08/75/381010875.db2.gz QWEWTKFQQPJSFO-LBPRGKRZSA-N 0 1 256.353 2.862 20 30 CFEDMN C=CC[C@H](C(=O)N1C[C@@H](C)N(C)[C@@H](C)C1)c1ccccc1 ZINC000358759066 381063309 /nfs/dbraw/zinc/06/33/09/381063309.db2.gz PWDUNPIGIJKSJF-UXLLHSPISA-N 0 1 286.419 2.897 20 30 CFEDMN CO[C@@](C)([C@H](C)NCc1ccc(F)cc1C#N)C1CC1 ZINC000411947548 381065600 /nfs/dbraw/zinc/06/56/00/381065600.db2.gz MJDSHZRBAHSIQW-ZBEGNZNMSA-N 0 1 276.355 2.991 20 30 CFEDMN C[C@]1(C(N)=O)CCCCN1CCC1(C#N)CCCCC1 ZINC000411525193 381032384 /nfs/dbraw/zinc/03/23/84/381032384.db2.gz LOGDXFPHFOZQRM-OAHLLOKOSA-N 0 1 277.412 2.580 20 30 CFEDMN C[C@@H](C[S@](C)=O)N(C)CCC1(C#N)CCCCC1 ZINC000411511240 381032696 /nfs/dbraw/zinc/03/26/96/381032696.db2.gz IHEUGLICJHDVMM-UGSOOPFHSA-N 0 1 270.442 2.549 20 30 CFEDMN C[C@@H]1[C@H](O)CCCN1CC#Cc1ccc(C(F)(F)F)cc1 ZINC000295803384 381084867 /nfs/dbraw/zinc/08/48/67/381084867.db2.gz AVAJBRQRIJOSOE-IUODEOHRSA-N 0 1 297.320 2.902 20 30 CFEDMN C=C[C@@H](CO)N[C@@H](C)c1cc(Cl)ccc1OC ZINC000289630066 381077186 /nfs/dbraw/zinc/07/71/86/381077186.db2.gz FCKUONDZZZIDEC-ONGXEEELSA-N 0 1 255.745 2.546 20 30 CFEDMN C=C[C@H](CO)NCc1ccc(-c2ccc(C)cc2)o1 ZINC000289753737 381137475 /nfs/dbraw/zinc/13/74/75/381137475.db2.gz HRPLXDITTNYHLS-CQSZACIVSA-N 0 1 257.333 2.892 20 30 CFEDMN C#Cc1ccc(CN2CCC[C@@H]([C@H](O)C(F)(F)F)C2)cc1 ZINC000289801857 381167137 /nfs/dbraw/zinc/16/71/37/381167137.db2.gz SKDIPHDECUCPRZ-CABCVRRESA-N 0 1 297.320 2.803 20 30 CFEDMN C=C(Br)CN1CCC2(CCOCC2)[C@@H]1C ZINC000368812954 381141008 /nfs/dbraw/zinc/14/10/08/381141008.db2.gz AWTRGFCSBZJDEY-NSHDSACASA-N 0 1 274.202 2.786 20 30 CFEDMN Cc1cc(S(=O)(=O)Nc2ccc(CC#N)cc2)c(C)o1 ZINC000182777387 381154640 /nfs/dbraw/zinc/15/46/40/381154640.db2.gz PEWXPEHFHUWVEJ-UHFFFAOYSA-N 0 1 290.344 2.763 20 30 CFEDMN CCOC(=O)C[C@H](C)N(C)CC#Cc1cccc(Cl)c1 ZINC000182661655 381133619 /nfs/dbraw/zinc/13/36/19/381133619.db2.gz JUQARMGJBRDWDD-ZDUSSCGKSA-N 0 1 293.794 2.965 20 30 CFEDMN C=CCN(C[C@H](CC)CCCC)[C@@H]1CCS(=O)(=O)C1 ZINC000183638201 381299269 /nfs/dbraw/zinc/29/92/69/381299269.db2.gz IIKBATLFSROXQJ-HUUCEWRRSA-N 0 1 287.469 2.878 20 30 CFEDMN Cc1ccc2nc(CNc3cnccc3C#N)[nH]c2c1 ZINC000354532703 381325062 /nfs/dbraw/zinc/32/50/62/381325062.db2.gz CEXWVVZFZIEDEB-UHFFFAOYSA-N 0 1 263.304 2.750 20 30 CFEDMN CC(C)(C)[C@@H]1CCN(Cc2cccc(C#N)c2F)C[C@H]1O ZINC000347780429 381345329 /nfs/dbraw/zinc/34/53/29/381345329.db2.gz GRXBMSFEPWMAMC-HUUCEWRRSA-N 0 1 290.382 2.926 20 30 CFEDMN CS[C@@H]1CCN(Cc2cn3ccccc3c2C#N)C1 ZINC000296342952 381354369 /nfs/dbraw/zinc/35/43/69/381354369.db2.gz PYNRIXICFIRTKP-CYBMUJFWSA-N 0 1 271.389 2.748 20 30 CFEDMN CN(CC[C@H]1CCCO1)Cc1cn2ccccc2c1C#N ZINC000342580468 381410644 /nfs/dbraw/zinc/41/06/44/381410644.db2.gz DXGOTICFZMTXDV-OAHLLOKOSA-N 0 1 283.375 2.812 20 30 CFEDMN CN(CC[C@@H]1CCCO1)Cc1ccc(C#N)cc1F ZINC000342565866 381400033 /nfs/dbraw/zinc/40/00/33/381400033.db2.gz HUYMNVRMCIMAQM-AWEZNQCLSA-N 0 1 262.328 2.698 20 30 CFEDMN C=C(C)C[C@H](C)C(=O)NCCc1nc2ccc(F)cc2[nH]1 ZINC000184323858 381401435 /nfs/dbraw/zinc/40/14/35/381401435.db2.gz WXKGRBKIDYXPGL-NSHDSACASA-N 0 1 289.354 2.963 20 30 CFEDMN CC[N@@H+](Cc1cc(C#N)n(C)c1)[C@H](C)c1cccnc1 ZINC000290434499 381427427 /nfs/dbraw/zinc/42/74/27/381427427.db2.gz LLZRCERZOBIZJU-CYBMUJFWSA-N 0 1 268.364 2.875 20 30 CFEDMN CCN(Cc1cc(C#N)n(C)c1)[C@H](C)c1cccnc1 ZINC000290434499 381427434 /nfs/dbraw/zinc/42/74/34/381427434.db2.gz LLZRCERZOBIZJU-CYBMUJFWSA-N 0 1 268.364 2.875 20 30 CFEDMN CC(C)c1nc(CN[C@H](C)c2ccc(C#N)c(F)c2)n[nH]1 ZINC000296562955 381450684 /nfs/dbraw/zinc/45/06/84/381450684.db2.gz SJIRUFFRQYZLKP-SNVBAGLBSA-N 0 1 287.342 2.790 20 30 CFEDMN Cc1n[nH]c(C2CCN(Cc3ccc(F)cc3C#N)CC2)n1 ZINC000370377368 381438351 /nfs/dbraw/zinc/43/83/51/381438351.db2.gz QHBSRJHJUXPEPK-UHFFFAOYSA-N 0 1 299.353 2.504 20 30 CFEDMN C=CCOCCCN[C@@H](C)c1cn(-c2ccccc2)nn1 ZINC000348046073 381455616 /nfs/dbraw/zinc/45/56/16/381455616.db2.gz DGNYTEBDDSCPLC-AWEZNQCLSA-N 0 1 286.379 2.511 20 30 CFEDMN CC(=O)c1ccc(C#N)c(N[C@@H]2C[C@@H](C)[N@H+](C3CC3)C2)c1 ZINC000290522348 381463285 /nfs/dbraw/zinc/46/32/85/381463285.db2.gz CNXVWLMJXDRVTA-IAQYHMDHSA-N 0 1 283.375 2.798 20 30 CFEDMN CC(=O)c1ccc(C#N)c(N[C@@H]2C[C@@H](C)N(C3CC3)C2)c1 ZINC000290522348 381463289 /nfs/dbraw/zinc/46/32/89/381463289.db2.gz CNXVWLMJXDRVTA-IAQYHMDHSA-N 0 1 283.375 2.798 20 30 CFEDMN C[C@H]1C[C@H](Nc2c(F)cc(C#N)cc2F)CN1C1CC1 ZINC000290533472 381470081 /nfs/dbraw/zinc/47/00/81/381470081.db2.gz DLPYWMMYGRULHE-ONGXEEELSA-N 0 1 277.318 2.874 20 30 CFEDMN C=C1CCN([C@@H]2CCCN(CC(C)(C)C)C2=O)CC1 ZINC000359608912 381503839 /nfs/dbraw/zinc/50/38/39/381503839.db2.gz GATCWDCWNYYGPW-CQSZACIVSA-N 0 1 264.413 2.676 20 30 CFEDMN C=CCCN(C)CC(=O)NC1(c2ccccc2)CCC1 ZINC000342736229 381509833 /nfs/dbraw/zinc/50/98/33/381509833.db2.gz NXNYGJNGLAGQBL-UHFFFAOYSA-N 0 1 272.392 2.690 20 30 CFEDMN C=CCCN(C)CC(=O)NCc1ccc(Cl)s1 ZINC000342724366 381501157 /nfs/dbraw/zinc/50/11/57/381501157.db2.gz PRCNRKYHPMDOCK-UHFFFAOYSA-N 0 1 272.801 2.526 20 30 CFEDMN C=CCC[C@H](C)NCc1nccc(C(F)(F)F)n1 ZINC000414240533 381572534 /nfs/dbraw/zinc/57/25/34/381572534.db2.gz MAUATBZJXFLROF-VIFPVBQESA-N 0 1 259.275 2.940 20 30 CFEDMN Cn1cc(CNC2(c3ccc(F)cc3)CC2)cc1C#N ZINC000359725538 381580242 /nfs/dbraw/zinc/58/02/42/381580242.db2.gz VWELGJOTFWHFSO-UHFFFAOYSA-N 0 1 269.323 2.815 20 30 CFEDMN CC(C)c1nc([C@H](C)NCc2cc(C#N)cs2)n[nH]1 ZINC000342823888 381569833 /nfs/dbraw/zinc/56/98/33/381569833.db2.gz XXTABRWYMFFTSW-VIFPVBQESA-N 0 1 275.381 2.712 20 30 CFEDMN COCC[C@H](Cc1cccc(F)c1)NC[C@H](C)C#N ZINC000185323921 381598178 /nfs/dbraw/zinc/59/81/78/381598178.db2.gz WFRZYQIZSFTHDN-IUODEOHRSA-N 0 1 264.344 2.523 20 30 CFEDMN Cc1cnn([C@@H]2CCN(Cc3ccc(C#N)s3)C2)c1 ZINC000290975833 381616882 /nfs/dbraw/zinc/61/68/82/381616882.db2.gz SXLSKOLMDZZABF-GFCCVEGCSA-N 0 1 272.377 2.572 20 30 CFEDMN CCN(Cc1cn2ccccc2c1C#N)C[C@H](C)OC ZINC000291114538 381671373 /nfs/dbraw/zinc/67/13/73/381671373.db2.gz AJCKYTVVELFVDJ-ZDUSSCGKSA-N 0 1 271.364 2.668 20 30 CFEDMN CCOc1cc(C(=O)Nc2sc(CC)cc2C#N)on1 ZINC000298558826 381673673 /nfs/dbraw/zinc/67/36/73/381673673.db2.gz MIYMTSQUQXLZNY-UHFFFAOYSA-N 0 1 291.332 2.821 20 30 CFEDMN Cc1nc([C@H](C)Nc2nc(C)c(C#N)cc2Cl)n[nH]1 ZINC000359967018 381702217 /nfs/dbraw/zinc/70/22/17/381702217.db2.gz CZYKWEFDQHMQAV-ZETCQYMHSA-N 0 1 276.731 2.515 20 30 CFEDMN CC#CCCCC(=O)NCCN(C)Cc1ccc(F)cc1 ZINC000185776502 381730097 /nfs/dbraw/zinc/73/00/97/381730097.db2.gz OXYQLGKJYJTAFU-UHFFFAOYSA-N 0 1 290.382 2.567 20 30 CFEDMN C#CCn1ccc(CN(CC)[C@@H]2C[C@@H]2c2ccccc2)n1 ZINC000291280598 381733188 /nfs/dbraw/zinc/73/31/88/381733188.db2.gz YTBYBKGMJBMWPB-QZTJIDSGSA-N 0 1 279.387 2.894 20 30 CFEDMN N#CCCN(CCc1ccc2c(c1)OCCO2)CC1CC1 ZINC000360032531 381740590 /nfs/dbraw/zinc/74/05/90/381740590.db2.gz VUUUJJKKDABKEG-UHFFFAOYSA-N 0 1 286.375 2.626 20 30 CFEDMN C#CCONC(=O)[C@@H](C)c1ccc(CC(C)C)cc1 ZINC000291310407 381744780 /nfs/dbraw/zinc/74/47/80/381744780.db2.gz RNNFLWWQNREJAF-ZDUSSCGKSA-N 0 1 259.349 2.670 20 30 CFEDMN C[C@@H]1[C@@H](Nc2c(F)cc(C#N)cc2F)CCCN1C ZINC000343484601 381745259 /nfs/dbraw/zinc/74/52/59/381745259.db2.gz WFYIFILJYVSPIZ-RNCFNFMXSA-N 0 1 265.307 2.731 20 30 CFEDMN N#Cc1ccc(CN2CC[C@H](COC(F)F)C2)s1 ZINC000348869201 381747095 /nfs/dbraw/zinc/74/70/95/381747095.db2.gz MMAIAUPUCUQCAN-VIFPVBQESA-N 0 1 272.320 2.681 20 30 CFEDMN COC1(CN(C[C@@H](C)C#N)C2CC2)CCCCC1 ZINC000361551230 381842797 /nfs/dbraw/zinc/84/27/97/381842797.db2.gz IQEBONYQZJMWBW-ZDUSSCGKSA-N 0 1 250.386 2.960 20 30 CFEDMN C=CCCC1(C(=O)N2C[C@H]3CCCCN3C[C@@H]2C)CC1 ZINC000361714424 381859439 /nfs/dbraw/zinc/85/94/39/381859439.db2.gz PPLCDTNYNSCSCC-LSDHHAIUSA-N 0 1 276.424 2.818 20 30 CFEDMN N#CC(C(=O)c1coc2cc(F)ccc21)c1ccncn1 ZINC000361791993 381862863 /nfs/dbraw/zinc/86/28/63/381862863.db2.gz HYLIJUCAPLTYPF-NSHDSACASA-N 0 1 281.246 2.852 20 30 CFEDMN N#C[C@H](C(=O)c1coc2cc(F)ccc21)c1ccncn1 ZINC000361791993 381862869 /nfs/dbraw/zinc/86/28/69/381862869.db2.gz HYLIJUCAPLTYPF-NSHDSACASA-N 0 1 281.246 2.852 20 30 CFEDMN Cc1ncccc1O[C@H]1CC[N@@H+](Cc2cccc(C#N)c2)C1 ZINC000372812921 381874865 /nfs/dbraw/zinc/87/48/65/381874865.db2.gz CTASQNLCWTZISI-KRWDZBQOSA-N 0 1 293.370 2.915 20 30 CFEDMN Cc1ncccc1O[C@H]1CCN(Cc2cccc(C#N)c2)C1 ZINC000372812921 381874870 /nfs/dbraw/zinc/87/48/70/381874870.db2.gz CTASQNLCWTZISI-KRWDZBQOSA-N 0 1 293.370 2.915 20 30 CFEDMN C=CC[C@H](CO)N[C@H](C)c1csc(C(C)C)n1 ZINC000186503626 381930403 /nfs/dbraw/zinc/93/04/03/381930403.db2.gz PTISZDFILCEPPE-GHMZBOCLSA-N 0 1 254.399 2.854 20 30 CFEDMN C=CCOCCCN1C[C@H](O)C[C@@H]1c1cc(F)ccc1F ZINC000343740418 381917706 /nfs/dbraw/zinc/91/77/06/381917706.db2.gz MFAQBRDYFVODAA-CZUORRHYSA-N 0 1 297.345 2.665 20 30 CFEDMN C[C@H](NCc1n[nH]c(C(C)(C)C)n1)c1ccc(C#N)cc1 ZINC000293029671 381956129 /nfs/dbraw/zinc/95/61/29/381956129.db2.gz WBOYTHHJLVDSDV-NSHDSACASA-N 0 1 283.379 2.825 20 30 CFEDMN N#Cc1ccc(C2=CCN(Cc3ccnc(N)c3)CC2)cc1 ZINC000373287056 381970807 /nfs/dbraw/zinc/97/08/07/381970807.db2.gz TWUSEMLLUBZTSS-UHFFFAOYSA-N 0 1 290.370 2.655 20 30 CFEDMN CC(C)[C@@H]1CN(CC#Cc2ccccc2)CCCO1 ZINC000292992644 381939148 /nfs/dbraw/zinc/93/91/48/381939148.db2.gz IUGZIYZBTKAUTE-KRWDZBQOSA-N 0 1 257.377 2.785 20 30 CFEDMN C=CCC1(C(=O)NCCN2CC=C(C)CC2)CCC1 ZINC000349970869 382001381 /nfs/dbraw/zinc/00/13/81/382001381.db2.gz JEZZHWHARUNSTQ-UHFFFAOYSA-N 0 1 262.397 2.501 20 30 CFEDMN C[C@@H](C(=O)Nc1ccc(C#N)c(Cl)c1)N1CC[C@@H](C)C1 ZINC000299564691 381984495 /nfs/dbraw/zinc/98/44/95/381984495.db2.gz AJOGWFDLOOLCFR-MNOVXSKESA-N 0 1 291.782 2.880 20 30 CFEDMN C[C@@H](C(=O)Nc1ccc(C#N)c(Cl)c1)N1CC[C@H](C)C1 ZINC000299564693 381985563 /nfs/dbraw/zinc/98/55/63/381985563.db2.gz AJOGWFDLOOLCFR-QWRGUYRKSA-N 0 1 291.782 2.880 20 30 CFEDMN N#C[C@H]1CC[C@H](NCc2ccn(-c3ccccc3)n2)C1 ZINC000349801528 381991249 /nfs/dbraw/zinc/99/12/49/381991249.db2.gz LWKNNPINOXZEAY-KBPBESRZSA-N 0 1 266.348 2.654 20 30 CFEDMN C[C@H](NCC(=O)N1CCCC[C@@H]1C)c1ccc(C#N)cc1 ZINC000299593876 381995069 /nfs/dbraw/zinc/99/50/69/381995069.db2.gz IFOHZVAXNQJXOF-KBPBESRZSA-N 0 1 285.391 2.610 20 30 CFEDMN C=CCCCCNS(=O)(=O)c1c(F)cccc1F ZINC000351584381 382046180 /nfs/dbraw/zinc/04/61/80/382046180.db2.gz WFOBSIJLJMMJTP-UHFFFAOYSA-N 0 1 275.320 2.599 20 30 CFEDMN COc1ccc(CN(C)[C@@H](C)CCC#N)c(OC)c1 ZINC000351608137 382048016 /nfs/dbraw/zinc/04/80/16/382048016.db2.gz LZULQYLHZZRZPH-LBPRGKRZSA-N 0 1 262.353 2.828 20 30 CFEDMN C=CCN(Cc1cccc([N+](=O)[O-])c1)C[C@H](O)C(C)(C)C ZINC000343989787 382052619 /nfs/dbraw/zinc/05/26/19/382052619.db2.gz ZYKDEFSHFNWJIH-HNNXBMFYSA-N 0 1 292.379 2.990 20 30 CFEDMN N#Cc1ccc(N2CC[C@@H](N3CCCC4(CC4)C3)C2=O)cc1 ZINC000186962221 382059454 /nfs/dbraw/zinc/05/94/54/382059454.db2.gz QLOHEOFQLXHLQN-MRXNPFEDSA-N 0 1 295.386 2.540 20 30 CFEDMN C=C(C)CN(C)CC(=O)NCc1cccc(OC(C)C)c1 ZINC000351024870 382021970 /nfs/dbraw/zinc/02/19/70/382021970.db2.gz FQGCYCPHJDYHLS-UHFFFAOYSA-N 0 1 290.407 2.598 20 30 CFEDMN Cc1cccc2nc(Cc3noc([C@]4(C#N)C[C@H]4C)n3)[nH]c21 ZINC000351083189 382026616 /nfs/dbraw/zinc/02/66/16/382026616.db2.gz NRYOPRCSBYXGRH-HWPZZCPQSA-N 0 1 293.330 2.646 20 30 CFEDMN CC#CCCN1CCN(c2nccc3sccc32)CC1 ZINC000343955459 382035247 /nfs/dbraw/zinc/03/52/47/382035247.db2.gz CGSNODZCXHSSOH-UHFFFAOYSA-N 0 1 285.416 2.832 20 30 CFEDMN C=CCC[C@H](NC(=O)[C@H]1C[C@@H]1c1nc[nH]n1)c1ccccc1 ZINC000376257377 382128111 /nfs/dbraw/zinc/12/81/11/382128111.db2.gz IULIPINURMOUNI-KKUMJFAQSA-N 0 1 296.374 2.732 20 30 CFEDMN C=CC[C@@H](C)NC(=O)N1CCC(c2cn[nH]c2C)CC1 ZINC000375191337 382071197 /nfs/dbraw/zinc/07/11/97/382071197.db2.gz FMJLBBCWNXKXCG-LLVKDONJSA-N 0 1 276.384 2.572 20 30 CFEDMN CN(CC(=O)Nc1sccc1C#N)C[C@@H]1CC=CCC1 ZINC000344040244 382087129 /nfs/dbraw/zinc/08/71/29/382087129.db2.gz GXRBDPDWILHAKO-GFCCVEGCSA-N 0 1 289.404 2.846 20 30 CFEDMN C=CCN1CC[C@H](N2CC=C(c3ccccc3C)CC2)C1=O ZINC000375615316 382092087 /nfs/dbraw/zinc/09/20/87/382092087.db2.gz YSJSANPZHZQPTF-SFHVURJKSA-N 0 1 296.414 2.871 20 30 CFEDMN C=CCN1CC[C@@H](N2Cc3ccccc3C3(CCC3)C2)C1=O ZINC000375686633 382096183 /nfs/dbraw/zinc/09/61/83/382096183.db2.gz AOIRKIBFAXPUPA-QGZVFWFLSA-N 0 1 296.414 2.711 20 30 CFEDMN C=CCCCCCN1CCOC[C@H]1[C@H]1CCCO1 ZINC000375740168 382099927 /nfs/dbraw/zinc/09/99/27/382099927.db2.gz DLTISQYENZLNJD-LSDHHAIUSA-N 0 1 253.386 2.613 20 30 CFEDMN Cc1cccc(CN2CCN(c3ccc(C#N)nc3)CC2)c1 ZINC000301509990 382173598 /nfs/dbraw/zinc/17/35/98/382173598.db2.gz DULRTAWJHAQIMZ-UHFFFAOYSA-N 0 1 292.386 2.584 20 30 CFEDMN C=C(C)CN1Cc2ccccc2[C@H](n2cccn2)C1 ZINC000363546683 382238088 /nfs/dbraw/zinc/23/80/88/382238088.db2.gz UFAQYQRWBLPXBI-MRXNPFEDSA-N 0 1 253.349 2.864 20 30 CFEDMN CC[C@@]1(CO)CCCN(Cc2ccc(C#N)cc2F)C1 ZINC000187628943 382230182 /nfs/dbraw/zinc/23/01/82/382230182.db2.gz AFINDLBNLZWVRI-MRXNPFEDSA-N 0 1 276.355 2.682 20 30 CFEDMN C=CCOCCN[C@@H](C)c1c(F)cccc1OC ZINC000301761234 382190657 /nfs/dbraw/zinc/19/06/57/382190657.db2.gz GGAYQENBKKCDPJ-NSHDSACASA-N 0 1 253.317 2.688 20 30 CFEDMN CC(C)(CO)[C@H](NCc1ccc(C#N)cc1)c1cccnc1 ZINC000293719081 382249319 /nfs/dbraw/zinc/24/93/19/382249319.db2.gz TUISZWADPQZHJN-QGZVFWFLSA-N 0 1 295.386 2.803 20 30 CFEDMN Cc1cc2[nH]ncc2cc1Nc1nnc(C)c(C)c1C#N ZINC000302728507 382304002 /nfs/dbraw/zinc/30/40/02/382304002.db2.gz QOIBGUAUFSHYFN-UHFFFAOYSA-N 0 1 278.319 2.893 20 30 CFEDMN C=CCCCN(C)c1nc(C(F)(F)F)nc2[nH]cnc21 ZINC000302907675 382349750 /nfs/dbraw/zinc/34/97/50/382349750.db2.gz XTOLCYDTGJJDLY-UHFFFAOYSA-N 0 1 285.273 2.774 20 30 CFEDMN C=CCN(CCc1ccco1)C(=O)[C@@H]1CCCc2c[nH]nc21 ZINC000364981152 382358672 /nfs/dbraw/zinc/35/86/72/382358672.db2.gz DIMICXRTIFURHT-OAHLLOKOSA-N 0 1 299.374 2.680 20 30 CFEDMN C=CCC[C@H](O)CN1CCO[C@@](C)(c2ccccc2)C1 ZINC000305095301 382422546 /nfs/dbraw/zinc/42/25/46/382422546.db2.gz RVHPEKBNNJTARD-DLBZAZTESA-N 0 1 275.392 2.561 20 30 CFEDMN N#Cc1cccc(C[N@H+]2CC[C@H](C(F)(F)F)[C@@H](CO)C2)c1 ZINC000352670595 382444497 /nfs/dbraw/zinc/44/44/97/382444497.db2.gz HCGBDIWGHBEAHA-KGLIPLIRSA-N 0 1 298.308 2.551 20 30 CFEDMN N#Cc1cccc(CN2CC[C@H](C(F)(F)F)[C@@H](CO)C2)c1 ZINC000352670595 382444501 /nfs/dbraw/zinc/44/45/01/382444501.db2.gz HCGBDIWGHBEAHA-KGLIPLIRSA-N 0 1 298.308 2.551 20 30 CFEDMN CN(Cc1cc(F)ccc1C#N)[C@@H]1[C@H]2CCO[C@H]2C1(C)C ZINC000378111232 382400567 /nfs/dbraw/zinc/40/05/67/382400567.db2.gz MJRGXXCZAKSOQN-BZUAXINKSA-N 0 1 288.366 2.943 20 30 CFEDMN C=CC(C)(C)C(=O)NC[C@H](c1cccs1)N(C)C ZINC000294289120 382495713 /nfs/dbraw/zinc/49/57/13/382495713.db2.gz HWIMUVYVRZUYCB-LLVKDONJSA-N 0 1 266.410 2.679 20 30 CFEDMN Cc1n[nH]cc1CNCc1ccc(C#N)cc1C(F)(F)F ZINC000352841163 382478266 /nfs/dbraw/zinc/47/82/66/382478266.db2.gz NTKCHDRVBZQZAA-UHFFFAOYSA-N 0 1 294.280 2.898 20 30 CFEDMN C=C(C)CN(CCCC(=O)OC)Cc1cnn(C(C)C)c1 ZINC000352900308 382480932 /nfs/dbraw/zinc/48/09/32/382480932.db2.gz GUEPOKYWOXYZIJ-UHFFFAOYSA-N 0 1 293.411 2.795 20 30 CFEDMN CC[C@@H](CC#N)NCc1ccccc1-c1ccnn1C ZINC000352912819 382483099 /nfs/dbraw/zinc/48/30/99/382483099.db2.gz FAYUECAGSODDLA-AWEZNQCLSA-N 0 1 268.364 2.869 20 30 CFEDMN C=C(C)CN(Cc1cnn(C(C)C)c1)[C@H](C)COC ZINC000352916385 382483329 /nfs/dbraw/zinc/48/33/29/382483329.db2.gz RWQRNMCDSDWCBO-CQSZACIVSA-N 0 1 265.401 2.877 20 30 CFEDMN Cc1ccnc(N[C@H]2CN(C)Cc3ccccc32)c1C#N ZINC000378652273 382502207 /nfs/dbraw/zinc/50/22/07/382502207.db2.gz PURLBQDBGFYOHZ-INIZCTEOSA-N 0 1 278.359 2.860 20 30 CFEDMN C=CCN(CCOCC(F)F)Cc1cccc(C#N)c1 ZINC000188916381 382503992 /nfs/dbraw/zinc/50/39/92/382503992.db2.gz PXQZPNWUCMKMFO-UHFFFAOYSA-N 0 1 280.318 2.828 20 30 CFEDMN C=CCN1CC[C@@H](N(C)Cc2cccc(C3CC3)c2)C1=O ZINC000421378170 382514152 /nfs/dbraw/zinc/51/41/52/382514152.db2.gz GGAONJSSDACXNW-QGZVFWFLSA-N 0 1 284.403 2.783 20 30 CFEDMN CC(=O)Nc1ccn([C@H]2CCN(Cc3cccnc3C)C2)n1 ZINC000328626281 382556421 /nfs/dbraw/zinc/55/64/21/382556421.db2.gz LMSWVOPCZQGELB-HNNXBMFYSA-N 0 1 299.378 2.641 20 30 CFEDMN Cc1cc(C[C@H](C)NC(=O)C[C@H]2CCCCC(=O)N2)n[nH]1 ZINC000328643104 382557594 /nfs/dbraw/zinc/55/75/94/382557594.db2.gz GECVZKHZQWMEJE-CMPLNLGQSA-N 0 1 292.383 2.895 20 30 CFEDMN C[C@@H]1C[N@H+](C)C[C@@H]1N[C@@H](CCC#N)c1ccccc1 ZINC000358331418 382572715 /nfs/dbraw/zinc/57/27/15/382572715.db2.gz SQBUZWLCVPMWRD-KBMXLJTQSA-N 0 1 257.381 2.571 20 30 CFEDMN Cc1ccc(C)c([C@@H](C)N(C)CC(=O)NC2(C#N)CCC2)c1 ZINC000346834543 382534211 /nfs/dbraw/zinc/53/42/11/382534211.db2.gz APWBBVAWWHYOIL-OAHLLOKOSA-N 0 1 299.418 2.859 20 30 CFEDMN Cc1cc(C)c(CNCc2cc(C#N)cs2)cn1 ZINC000397047417 382632313 /nfs/dbraw/zinc/63/23/13/382632313.db2.gz ZNMAYUIISQAXAC-UHFFFAOYSA-N 0 1 257.362 2.921 20 30 CFEDMN N#Cc1c(CN2CCC(CF)CC2)cn2ccccc12 ZINC000295228493 382593419 /nfs/dbraw/zinc/59/34/19/382593419.db2.gz YUMDZZHUYFJDII-UHFFFAOYSA-N 0 1 271.339 2.992 20 30 CFEDMN C#C[C@@H](NCc1nc2ccccc2n1CC)C(C)C ZINC000387591266 382600617 /nfs/dbraw/zinc/60/06/17/382600617.db2.gz KAJXAEBNEVCEDR-CYBMUJFWSA-N 0 1 255.365 2.804 20 30 CFEDMN Cn1cc(Br)c(CNCC(C)(C)CCC#N)n1 ZINC000393323602 382623107 /nfs/dbraw/zinc/62/31/07/382623107.db2.gz IEVSZDBCMWTGOP-UHFFFAOYSA-N 0 1 299.216 2.602 20 30 CFEDMN C[C@H]1CSCCN(CC#Cc2ccc(F)cc2)C1 ZINC000190464964 382669796 /nfs/dbraw/zinc/66/97/96/382669796.db2.gz MBXPOWDKUNEKKJ-CYBMUJFWSA-N 0 1 263.381 2.862 20 30 CFEDMN N#C[C@@H](C(=O)c1n[nH]c2c1CCCCC2)c1ccccn1 ZINC000190832925 382681867 /nfs/dbraw/zinc/68/18/67/382681867.db2.gz FBVFARLMBPIYFO-GFCCVEGCSA-N 0 1 280.331 2.564 20 30 CFEDMN N#CC(C(=O)c1n[nH]c2c1CCCCC2)c1ccccn1 ZINC000190832925 382681868 /nfs/dbraw/zinc/68/18/68/382681868.db2.gz FBVFARLMBPIYFO-GFCCVEGCSA-N 0 1 280.331 2.564 20 30 CFEDMN CN(Cc1ccc(CC#N)cc1)Cc1ccccn1 ZINC000398994970 382637287 /nfs/dbraw/zinc/63/72/87/382637287.db2.gz OQSFFGJDKXQKQT-UHFFFAOYSA-N 0 1 251.333 2.780 20 30 CFEDMN Cn1cccc1[C@H]1CCCN1Cc1cc(C#N)n(C)c1 ZINC000191185488 382695098 /nfs/dbraw/zinc/69/50/98/382695098.db2.gz UTHNOKMTHPHWCH-MRXNPFEDSA-N 0 1 268.364 2.572 20 30 CFEDMN Cn1cc(CN2CC[C@]3(C2)OCc2ccccc23)cc1C#N ZINC000191503676 382701224 /nfs/dbraw/zinc/70/12/24/382701224.db2.gz UKMUPCSPSBKKEF-GOSISDBHSA-N 0 1 293.370 2.528 20 30 CFEDMN C=CCN(CCOC)Cc1cn(C)nc1-c1cccs1 ZINC000191762068 382702373 /nfs/dbraw/zinc/70/23/73/382702373.db2.gz ZWVQMNRUVOPYQT-UHFFFAOYSA-N 0 1 291.420 2.783 20 30 CFEDMN C=CCN(CCOC)Cc1ccc(N(C)C(C)C)nc1 ZINC000191759830 382702383 /nfs/dbraw/zinc/70/23/83/382702383.db2.gz MAOQPIFZHNNIOS-UHFFFAOYSA-N 0 1 277.412 2.561 20 30 CFEDMN Cc1ccc(CN(CC#Cc2ccccc2)CCO)cc1 ZINC000192174272 382705235 /nfs/dbraw/zinc/70/52/35/382705235.db2.gz DWHTZXZJTKUQLY-UHFFFAOYSA-N 0 1 279.383 2.841 20 30 CFEDMN Cn1cc(CCN2CCC[C@@H]2[C@H](C#N)c2ccccc2)cn1 ZINC000336856148 382735861 /nfs/dbraw/zinc/73/58/61/382735861.db2.gz KPOZNOHRCIIZTJ-QZTJIDSGSA-N 0 1 294.402 2.734 20 30 CFEDMN C[C@@H](CC#N)N(C)CCCc1ccc2c(c1)CCO2 ZINC000193245768 382717263 /nfs/dbraw/zinc/71/72/63/382717263.db2.gz UXKXLTIXIOTVJF-ZDUSSCGKSA-N 0 1 258.365 2.788 20 30 CFEDMN COc1ccc(C#N)cc1CN1CC[C@@H](OC)C[C@@H]1C ZINC000336827262 382724350 /nfs/dbraw/zinc/72/43/50/382724350.db2.gz UVAUYNLMVJJANK-SWLSCSKDSA-N 0 1 274.364 2.566 20 30 CFEDMN Cc1ccc(CN2CCN(c3ccc(C#N)cn3)CC2)s1 ZINC000193853229 382727140 /nfs/dbraw/zinc/72/71/40/382727140.db2.gz XBLSMGJPKBFWQF-UHFFFAOYSA-N 0 1 298.415 2.645 20 30 CFEDMN CC(C)C[C@H]1COCC[N@H+]1CCCC1(C#N)CCOCC1 ZINC000337134917 382765996 /nfs/dbraw/zinc/76/59/96/382765996.db2.gz BOTOVJZZUKVUFJ-INIZCTEOSA-N 0 1 294.439 2.834 20 30 CFEDMN C=CCN1CC[C@H](N2Cc3ccccc3C(C)(C)C2)C1=O ZINC000337174026 382771638 /nfs/dbraw/zinc/77/16/38/382771638.db2.gz GSTFABAJOJYUBH-INIZCTEOSA-N 0 1 284.403 2.567 20 30 CFEDMN N#Cc1ccc(CN[C@H]2CCCO[C@H]2c2ccncc2)o1 ZINC000337250796 382786003 /nfs/dbraw/zinc/78/60/03/382786003.db2.gz KFUVLVVOKJQJOV-HOTGVXAUSA-N 0 1 283.331 2.556 20 30 CFEDMN C=C[C@@H](CC(=O)NC1(c2nnc[nH]2)CCC1)c1ccccc1 ZINC000194288877 382739686 /nfs/dbraw/zinc/73/96/86/382739686.db2.gz MUMIQRFFVJQQHS-ZDUSSCGKSA-N 0 1 296.374 2.660 20 30 CFEDMN N#Cc1cccc(NC(=O)CCN2Cc3ccccc3C2)c1 ZINC000194579492 382749176 /nfs/dbraw/zinc/74/91/76/382749176.db2.gz ZAQGNKMYNJWJLX-UHFFFAOYSA-N 0 1 291.354 2.903 20 30 CFEDMN C[C@H]1CN(c2ccc(C(F)(F)F)c(C#N)n2)[C@@H](C)CN1C ZINC000336994616 382749812 /nfs/dbraw/zinc/74/98/12/382749812.db2.gz ZHQARXYHWAEZRT-UWVGGRQHSA-N 0 1 298.312 2.501 20 30 CFEDMN Cc1ncncc1[C@H](C)NCc1cccc(C#N)c1 ZINC000576648311 382831108 /nfs/dbraw/zinc/83/11/08/382831108.db2.gz NWFFTKASGLEUIA-NSHDSACASA-N 0 1 252.321 2.508 20 30 CFEDMN N#Cc1ccc(S(=O)(=O)Nc2ccccc2F)s1 ZINC000230333500 382859756 /nfs/dbraw/zinc/85/97/56/382859756.db2.gz XXWPSKXSQMXTJT-UHFFFAOYSA-N 0 1 282.321 2.560 20 30 CFEDMN CO[C@]1(C)CCCN(Cc2ccc(F)c(C#N)c2)C1 ZINC000231119980 382864279 /nfs/dbraw/zinc/86/42/79/382864279.db2.gz JYBTVZSKCHIXSL-OAHLLOKOSA-N 0 1 262.328 2.698 20 30 CFEDMN N#Cc1ccc(C(=O)Nc2cccc(-c3cn[nH]n3)c2)s1 ZINC000442670930 382942224 /nfs/dbraw/zinc/94/22/24/382942224.db2.gz KGNULCKIUKXUHU-UHFFFAOYSA-N 0 1 295.327 2.657 20 30 CFEDMN N#C[C@H]1CC[C@H](NCc2cccnc2OCC(F)(F)F)C1 ZINC000442716720 382948210 /nfs/dbraw/zinc/94/82/10/382948210.db2.gz MXLGDIZKZWZTEZ-JQWIXIFHSA-N 0 1 299.296 2.805 20 30 CFEDMN CCCOc1ncccc1CN[C@H]1CC[C@H](C#N)C1 ZINC000442775110 382954122 /nfs/dbraw/zinc/95/41/22/382954122.db2.gz FRLPHKLSWMVMKF-JSGCOSHPSA-N 0 1 259.353 2.652 20 30 CFEDMN N#CCN(Cc1ccc2nc[nH]c2c1)C1CCCC1 ZINC000536659549 382956955 /nfs/dbraw/zinc/95/69/55/382956955.db2.gz NDUMRGWHVXHDEJ-UHFFFAOYSA-N 0 1 254.337 2.831 20 30 CFEDMN CC[C@H](C)c1nc([C@H](C)N[C@@H]2CC[C@H](C#N)C2)n[nH]1 ZINC000442851523 382961535 /nfs/dbraw/zinc/96/15/35/382961535.db2.gz FCALYYHIOBVHMW-FIQHERPVSA-N 0 1 261.373 2.661 20 30 CFEDMN C[C@H]1C[C@H](C)N(Cc2nnc(-c3cccc(C#N)c3)o2)C1 ZINC000441427733 382914816 /nfs/dbraw/zinc/91/48/16/382914816.db2.gz HUWHUHXORHDCKB-RYUDHWBXSA-N 0 1 282.347 2.839 20 30 CFEDMN COC(=O)c1cccc(CN2CC[C@H](C3CC3)C2)c1C#N ZINC000534278194 382921029 /nfs/dbraw/zinc/92/10/29/382921029.db2.gz JATOVWCRYKSLNP-ZDUSSCGKSA-N 0 1 284.359 2.577 20 30 CFEDMN C=CCOc1ccc(C[N@@H+]2CC[C@H](C)[C@@H](C(=O)[O-])C2)cc1 ZINC000578532545 382930278 /nfs/dbraw/zinc/93/02/78/382930278.db2.gz RWCMMUIXTVSBGN-BBRMVZONSA-N 0 1 289.375 2.794 20 30 CFEDMN C=CCOc1ccc(C[N@@H+]2CC[C@@H](C)[C@H](C(=O)[O-])C2)cc1 ZINC000578532547 382930525 /nfs/dbraw/zinc/93/05/25/382930525.db2.gz RWCMMUIXTVSBGN-CZUORRHYSA-N 0 1 289.375 2.794 20 30 CFEDMN CC[C@H]1CCN(Cc2cccc(C(=O)OC)c2C#N)C1 ZINC000534472267 382931886 /nfs/dbraw/zinc/93/18/86/382931886.db2.gz KUKRRPYRVYKGJG-LBPRGKRZSA-N 0 1 272.348 2.577 20 30 CFEDMN CC(C)C[C@H]1C(=O)NCCN1CCCCC(C)(C)C#N ZINC000444689563 382978129 /nfs/dbraw/zinc/97/81/29/382978129.db2.gz OFBNNQMKSTZXCG-AWEZNQCLSA-N 0 1 279.428 2.553 20 30 CFEDMN C=CC[C@H]1N(Cc2nc(CCOC)no2)CCCC1(C)C ZINC000444785464 382982702 /nfs/dbraw/zinc/98/27/02/382982702.db2.gz YGVZCDAFTXPMTG-CYBMUJFWSA-N 0 1 293.411 2.825 20 30 CFEDMN CCC1(CC)CCN(CC(=O)N[C@@](C)(C#N)C(C)C)C1 ZINC000446719416 382990485 /nfs/dbraw/zinc/99/04/85/382990485.db2.gz OJRUSPYHHNRUPS-HNNXBMFYSA-N 0 1 279.428 2.553 20 30 CFEDMN CC(C)(C)[C@@H]1CN(Cc2ccc(CC#N)cc2)CCO1 ZINC000447844052 383017600 /nfs/dbraw/zinc/01/76/00/383017600.db2.gz KHANFMRPKCRYKO-INIZCTEOSA-N 0 1 272.392 3.000 20 30 CFEDMN C=C[C@](C)(CC)C(=O)N=c1cc(-c2ccc(C)o2)[nH][nH]1 ZINC000447801073 383008582 /nfs/dbraw/zinc/00/85/82/383008582.db2.gz AXAPLRPPQUVSAE-OAHLLOKOSA-N 0 1 273.336 2.941 20 30 CFEDMN C=C(C)[C@H](NC[C@@H]1CN(C)C(=O)O1)c1ccc(F)c(F)c1 ZINC000495660543 383009039 /nfs/dbraw/zinc/00/90/39/383009039.db2.gz BPEQJEJPLVGCBI-RISCZKNCSA-N 0 1 296.317 2.622 20 30 CFEDMN C[C@H]1CCN(CC(=O)N(CCC#N)c2ccccc2)C[C@H]1C ZINC000245909624 383046386 /nfs/dbraw/zinc/04/63/86/383046386.db2.gz MGQCVHPYZSXDCY-JKSUJKDBSA-N 0 1 299.418 2.911 20 30 CFEDMN CC(C)[C@@H](CNC(=O)OC(C)(C)C)CN(C)C[C@@H](C)C#N ZINC000496064598 383059617 /nfs/dbraw/zinc/05/96/17/383059617.db2.gz HBGYCSHEQWBPOJ-KBPBESRZSA-N 0 1 297.443 2.875 20 30 CFEDMN C[C@H]1CCN(Cc2ccc(F)c(C#N)c2)C[C@H]1n1ccnc1 ZINC000245681892 383022438 /nfs/dbraw/zinc/02/24/38/383022438.db2.gz PFXBTFSBZOYYRY-SUMWQHHRSA-N 0 1 298.365 2.977 20 30 CFEDMN C=CCCN1Cc2ccccc2C[C@@H]1C(=O)N1CCCC1 ZINC000338543873 383022620 /nfs/dbraw/zinc/02/26/20/383022620.db2.gz HNAONDCAJYBWCF-QGZVFWFLSA-N 0 1 284.403 2.612 20 30 CFEDMN C=CCNC(=O)CN[C@@]1(c2cccc(C)c2)C[C@@H]1CC ZINC000502506521 383138264 /nfs/dbraw/zinc/13/82/64/383138264.db2.gz DTAYWRZFPRHIQP-YOEHRIQHSA-N 0 1 272.392 2.512 20 30 CFEDMN Cc1cc(C#N)ccc1CN[C@H](CO)c1ccc(F)cc1 ZINC000614406831 383138348 /nfs/dbraw/zinc/13/83/48/383138348.db2.gz AXHCJTYKYKKJQV-QGZVFWFLSA-N 0 1 284.334 2.829 20 30 CFEDMN CC#CCN(Cc1ccc(OC)cc1OC)CC1CC1 ZINC000503203340 383139385 /nfs/dbraw/zinc/13/93/85/383139385.db2.gz LKRMIWOFIKBQAA-UHFFFAOYSA-N 0 1 273.376 2.939 20 30 CFEDMN COCCN(Cc1ccc(O)cc1)Cc1ccc(C#N)cc1 ZINC000615504189 383139763 /nfs/dbraw/zinc/13/97/63/383139763.db2.gz PXONQVLWMGMZKL-UHFFFAOYSA-N 0 1 296.370 2.912 20 30 CFEDMN CC[C@@]1(C)CCCN(CC(=O)N[C@](C)(C#N)C(C)C)C1 ZINC000246815392 383108181 /nfs/dbraw/zinc/10/81/81/383108181.db2.gz ADLKCRDSEANRDU-JKSUJKDBSA-N 0 1 279.428 2.553 20 30 CFEDMN Cc1nnc([C@@H](C)NCCCCC(C)(C)C#N)o1 ZINC000564808907 383172136 /nfs/dbraw/zinc/17/21/36/383172136.db2.gz UFEJJBPDYQWONR-SNVBAGLBSA-N 0 1 250.346 2.749 20 30 CFEDMN N#C[C@@H]1CN(C[C@@H]2CCCC[C@H]2O)C[C@H]1c1ccccc1 ZINC000565049487 383175507 /nfs/dbraw/zinc/17/55/07/383175507.db2.gz QTSQBYONKSBRLL-XWTMOSNGSA-N 0 1 284.403 2.777 20 30 CFEDMN C=CCN1C(=O)N=NC1S[C@@H]1CCC(C)(C)C1 ZINC000566210498 383184779 /nfs/dbraw/zinc/18/47/79/383184779.db2.gz WSMYMEBLTCDZRY-SECBINFHSA-N 0 1 253.371 2.841 20 30 CFEDMN C=C(C)CN(C)C(=O)[C@@H](CC)N(C)Cc1ccccc1 ZINC000339343856 383191403 /nfs/dbraw/zinc/19/14/03/383191403.db2.gz NJINETHTVFDGCI-MRXNPFEDSA-N 0 1 274.408 2.932 20 30 CFEDMN CN1CC[C@H](NC(=O)C2(C#N)CCCC2)[C@H]1c1ccccc1 ZINC000248078983 383210187 /nfs/dbraw/zinc/21/01/87/383210187.db2.gz RNWZVDBGUYFTSC-JKSUJKDBSA-N 0 1 297.402 2.632 20 30 CFEDMN C=CCN1C(=O)N=NC1SC[C@@H]1CCC(F)(F)C1 ZINC000339113810 383153456 /nfs/dbraw/zinc/15/34/56/383153456.db2.gz HRQAWBFNGPLEDF-MRVPVSSYSA-N 0 1 275.324 2.697 20 30 CFEDMN C=CC[C@H](C(=O)N1CCN(C)C(C)(C)C1)c1ccccc1 ZINC000514948874 383156564 /nfs/dbraw/zinc/15/65/64/383156564.db2.gz BIFHUVMEYRKQFY-INIZCTEOSA-N 0 1 286.419 2.899 20 30 CFEDMN CO[C@@](C)(CNC[C@@H](C#N)CCC#N)c1ccccc1 ZINC000514925626 383156866 /nfs/dbraw/zinc/15/68/66/383156866.db2.gz MDPPMWINJUCFEJ-ZBFHGGJFSA-N 0 1 271.364 2.581 20 30 CFEDMN CC1(C)C[C@]1(C#N)NC(=O)c1cccc(C(F)(F)F)c1O ZINC000515071151 383157572 /nfs/dbraw/zinc/15/75/72/383157572.db2.gz QUGIEQPCMYXCRQ-CYBMUJFWSA-N 0 1 298.264 2.833 20 30 CFEDMN CC(C)CCN(CCC#N)C[C@H]1CCCC[C@@H]1O ZINC000562478447 383158689 /nfs/dbraw/zinc/15/86/89/383158689.db2.gz HKJLGSLJSLNTKQ-CABCVRRESA-N 0 1 252.402 2.799 20 30 CFEDMN C[C@@H]1CC[C@H](C)N1CC(=O)N[C@](C)(C#N)C1CCCCC1 ZINC000562580842 383159928 /nfs/dbraw/zinc/15/99/28/383159928.db2.gz WYSMCZUGXOYPSK-JKIFEVAISA-N 0 1 291.439 2.838 20 30 CFEDMN Cc1ccc([C@@H]2OCCC[C@H]2CNCCC#N)cc1 ZINC000562989354 383163856 /nfs/dbraw/zinc/16/38/56/383163856.db2.gz IIXPUUPQSGZYQD-HOTGVXAUSA-N 0 1 258.365 2.966 20 30 CFEDMN C=CCN(CCc1ccccc1)Cc1cnccn1 ZINC000563090207 383165261 /nfs/dbraw/zinc/16/52/61/383165261.db2.gz NGWNDLRMLKQPJE-UHFFFAOYSA-N 0 1 253.349 2.707 20 30 CFEDMN CC(C)c1ncc(CN(C)[C@H]2CC[C@@H](C#N)C2)cn1 ZINC000339154668 383168767 /nfs/dbraw/zinc/16/87/67/383168767.db2.gz AUQQHMXNCMLFQY-OCCSQVGLSA-N 0 1 258.369 2.724 20 30 CFEDMN CC(C)c1ncc(CN(C)[C@H]2CC[C@H](C#N)C2)cn1 ZINC000339154667 383169135 /nfs/dbraw/zinc/16/91/35/383169135.db2.gz AUQQHMXNCMLFQY-JSGCOSHPSA-N 0 1 258.369 2.724 20 30 CFEDMN C=CCOCCN(CCc1ccccn1)Cc1cccnc1 ZINC000339153692 383169221 /nfs/dbraw/zinc/16/92/21/383169221.db2.gz JCOCZGBWRQSMJP-UHFFFAOYSA-N 0 1 297.402 2.724 20 30 CFEDMN C[C@@H](C(=O)N(C)C1(C#N)CCC(C)CC1)N1C[C@H](C)[C@@H]1C ZINC000339570345 383246735 /nfs/dbraw/zinc/24/67/35/383246735.db2.gz XLIRRJXHWFVGEG-WHJSIAKGSA-N 0 1 291.439 2.646 20 30 CFEDMN C=C(C)CN1N=C(c2ccc(OCC)cc2)CC1=O ZINC000634603753 383265559 /nfs/dbraw/zinc/26/55/59/383265559.db2.gz IWHLKTBDKUVWJS-UHFFFAOYSA-N 0 1 258.321 2.598 20 30 CFEDMN C=C(C)C(C)(C)C(=O)NCCN(CC)CCC(F)(F)F ZINC000424809729 383267602 /nfs/dbraw/zinc/26/76/02/383267602.db2.gz WMOHRFQYRYZHMP-UHFFFAOYSA-N 0 1 294.361 2.979 20 30 CFEDMN Cc1nc([C@H](C)Sc2cccc(F)c2C#N)n[nH]1 ZINC000566864313 383219929 /nfs/dbraw/zinc/21/99/29/383219929.db2.gz AFJVJJKVVMKHMA-ZETCQYMHSA-N 0 1 262.313 2.977 20 30 CFEDMN C=C(C)CN(CC)CC(=O)N1[C@H](C)CCC[C@H]1C ZINC000248243303 383220296 /nfs/dbraw/zinc/22/02/96/383220296.db2.gz PLDBXPLGHJDEIN-ZIAGYGMSSA-N 0 1 252.402 2.674 20 30 CFEDMN C=CCN(CC=C)C(=O)CN1C[C@@H](C)[C@@H]1c1ccccc1 ZINC000248343271 383225724 /nfs/dbraw/zinc/22/57/24/383225724.db2.gz KBWOLNZSMIFNAY-CRAIPNDOSA-N 0 1 284.403 2.880 20 30 CFEDMN N#Cc1ccc2ncc(CNc3cc4c(cn3)CCC4)n2c1 ZINC000339555150 383240719 /nfs/dbraw/zinc/24/07/19/383240719.db2.gz ICVLEGDYJAXTGY-UHFFFAOYSA-N 0 1 289.342 2.702 20 30 CFEDMN CCO[C@H]1CCN(Cc2ccccc2C#N)C[C@H]1C ZINC000449497023 383334778 /nfs/dbraw/zinc/33/47/78/383334778.db2.gz JWSSBUJWTAAIHM-CJNGLKHVSA-N 0 1 258.365 2.805 20 30 CFEDMN CCCC(=O)N[C@@H]1CCCN([C@H](C)c2cccc(C#N)c2)C1 ZINC000249273151 383335948 /nfs/dbraw/zinc/33/59/48/383335948.db2.gz LAADRYCNVOIBBX-RHSMWYFYSA-N 0 1 299.418 3.000 20 30 CFEDMN C=CCCC[C@H](C)[N@@H+](C)[C@@H]1CCCCN(C)C1=O ZINC000634743009 383342129 /nfs/dbraw/zinc/34/21/29/383342129.db2.gz GKJNIQKKPCVHEB-UONOGXRCSA-N 0 1 252.402 2.674 20 30 CFEDMN N#Cc1cccc([N+](=O)[O-])c1CN1CC[C@@H]2CCC[C@H]21 ZINC000459419236 383287858 /nfs/dbraw/zinc/28/78/58/383287858.db2.gz BIZUNTRHEGCQNQ-SMDDNHRTSA-N 0 1 271.320 2.841 20 30 CFEDMN CCO[C@H]1CCN(Cc2ccc(C#N)cc2F)C[C@H]1C ZINC000449510617 383346624 /nfs/dbraw/zinc/34/66/24/383346624.db2.gz XLTMUEMERXZAJL-WBMJQRKESA-N 0 1 276.355 2.944 20 30 CFEDMN CC(C)(C#N)CCN1CCOC[C@@H]1CC1CCC1 ZINC000339770884 383311180 /nfs/dbraw/zinc/31/11/80/383311180.db2.gz HYZGTPREZMOROC-AWEZNQCLSA-N 0 1 250.386 2.817 20 30 CFEDMN CCC(=O)Nc1cccc(CNCc2cc(C#N)n(C)c2)c1 ZINC000521950057 383317478 /nfs/dbraw/zinc/31/74/78/383317478.db2.gz AHJMZEQKVLYGDN-UHFFFAOYSA-N 0 1 296.374 2.535 20 30 CFEDMN C=CC(C)(C)C(=O)NCc1nc2cccc(C)c2[nH]1 ZINC000450313730 383390095 /nfs/dbraw/zinc/39/00/95/383390095.db2.gz RUNOXTNSOGDPBR-UHFFFAOYSA-N 0 1 257.337 2.700 20 30 CFEDMN CCc1nccn1[C@@H]1CCCN(CC2(C#N)CCC2)C1 ZINC000450376214 383392651 /nfs/dbraw/zinc/39/26/51/383392651.db2.gz GJYFIPGWCWONJY-CQSZACIVSA-N 0 1 272.396 2.776 20 30 CFEDMN C=CCC[C@H](O)CN1CCC[C@H](C)[C@@H]1C(=O)OC(C)(C)C ZINC000425525087 383383592 /nfs/dbraw/zinc/38/35/92/383383592.db2.gz SNNYQRQUYALGMM-SOUVJXGZSA-N 0 1 297.439 2.756 20 30 CFEDMN C=C(C)CN(C)CC(=O)NCCCC1CCCCC1 ZINC000481319401 383426191 /nfs/dbraw/zinc/42/61/91/383426191.db2.gz OLBGRHNYFMLDMR-UHFFFAOYSA-N 0 1 266.429 2.971 20 30 CFEDMN N#CC1(CN(CCO)[C@@H]2CCc3ccccc32)CCC1 ZINC000450475587 383427703 /nfs/dbraw/zinc/42/77/03/383427703.db2.gz YPBINPALBBQGGS-MRXNPFEDSA-N 0 1 270.376 2.662 20 30 CFEDMN C[C@@]1(NCc2cccc(F)c2C#N)CCO[C@@H]1C1CC1 ZINC000428343621 383453941 /nfs/dbraw/zinc/45/39/41/383453941.db2.gz HAKVTIBXDMMWQV-HZPDHXFCSA-N 0 1 274.339 2.745 20 30 CFEDMN CC#CCCN1CCc2c(ncn2-c2ccc(C)cc2)C1 ZINC000487985846 383485654 /nfs/dbraw/zinc/48/56/54/383485654.db2.gz HPEMVMFVJWTBIR-UHFFFAOYSA-N 0 1 279.387 2.952 20 30 CFEDMN CC#CCN1C[C@@H](c2ccc(Cl)cc2)[C@H](C(=O)OC)C1 ZINC000429139523 383504828 /nfs/dbraw/zinc/50/48/28/383504828.db2.gz VZKBMXVOSDYJHZ-LSDHHAIUSA-N 0 1 291.778 2.552 20 30 CFEDMN N#Cc1ccc(CNC2(c3ccccc3)CCOCC2)nc1 ZINC000569619128 383519030 /nfs/dbraw/zinc/51/90/30/383519030.db2.gz PDMWQAHDSTUEJT-UHFFFAOYSA-N 0 1 293.370 2.749 20 30 CFEDMN C=C(C)C[N@@H+](Cc1cc(C(=O)[O-])nn1C)Cc1ccccc1 ZINC000635313680 383530338 /nfs/dbraw/zinc/53/03/38/383530338.db2.gz MZJOCQVVFNWRMT-UHFFFAOYSA-N 0 1 299.374 2.697 20 30 CFEDMN C=C(C)C[N@H+](Cc1cc(C(=O)[O-])nn1C)Cc1ccccc1 ZINC000635313680 383530343 /nfs/dbraw/zinc/53/03/43/383530343.db2.gz MZJOCQVVFNWRMT-UHFFFAOYSA-N 0 1 299.374 2.697 20 30 CFEDMN CC1=C[C@@H](C)CN([C@@H]2CCN(c3ccc(C#N)cc3)C2=O)C1 ZINC000430285699 383592293 /nfs/dbraw/zinc/59/22/93/383592293.db2.gz RFWNLAMRZFQEIE-CXAGYDPISA-N 0 1 295.386 2.562 20 30 CFEDMN CC(C)(C)c1cnc(C(C#N)C(=O)c2cncnc2)s1 ZINC000430593043 383594782 /nfs/dbraw/zinc/59/47/82/383594782.db2.gz RWLIODXWHTYMDU-JTQLQIEISA-N 0 1 286.360 2.721 20 30 CFEDMN C=CCCCCCN(C)C(=O)[C@@H]1C[C@H]1c1cnc[nH]1 ZINC000635594413 383596599 /nfs/dbraw/zinc/59/65/99/383596599.db2.gz HJMPMPFGDSGCRP-CHWSQXEVSA-N 0 1 261.369 2.718 20 30 CFEDMN CC(C)(C#N)CCCCN1CCO[C@]2(CCSC2)C1 ZINC000570393459 383599548 /nfs/dbraw/zinc/59/95/48/383599548.db2.gz ICEUQNMPSXECSU-OAHLLOKOSA-N 0 1 282.453 2.914 20 30 CFEDMN N#CCc1ccc(CN2CCC[C@@H]2c2ccc(=O)[nH]n2)cc1 ZINC000528788278 383638037 /nfs/dbraw/zinc/63/80/37/383638037.db2.gz LRQNVTWSFLRLTP-MRXNPFEDSA-N 0 1 294.358 2.585 20 30 CFEDMN C=CCCC[C@@H](C)NC(=O)[C@H]1CCN1C1CCCC1 ZINC000635771039 383644250 /nfs/dbraw/zinc/64/42/50/383644250.db2.gz RLJYCCMTHZVFIT-UKRRQHHQSA-N 0 1 264.413 2.864 20 30 CFEDMN COc1cccc(NC(=O)CCN(C)CC(C)(C)C#N)c1 ZINC000433302463 383758604 /nfs/dbraw/zinc/75/86/04/383758604.db2.gz IHSBJQVLESIWEG-UHFFFAOYSA-N 0 1 289.379 2.505 20 30 CFEDMN C=CC[N@H+](Cc1cnc(C(=O)[O-])cn1)CC1CCCCC1 ZINC000530160978 383766703 /nfs/dbraw/zinc/76/67/03/383766703.db2.gz HECOKPCHOYINOF-UHFFFAOYSA-N 0 1 289.379 2.743 20 30 CFEDMN N#Cc1cccc(Cl)c1NCCCCN1CCOCC1 ZINC000264690779 383772371 /nfs/dbraw/zinc/77/23/71/383772371.db2.gz ZHCVIFBJSJGLGL-UHFFFAOYSA-N 0 1 293.798 2.736 20 30 CFEDMN C=CCC[C@@H](O)CN1CCCC[C@@H]1c1nccn1CC ZINC000280968422 195050418 /nfs/dbraw/zinc/05/04/18/195050418.db2.gz KIOQLMKGEMMXBV-HUUCEWRRSA-N 0 1 277.412 2.757 20 30 CFEDMN C=CCCO[C@H](C)C(=O)Nc1cc(C(=O)CC)ccc1O ZINC000436642622 383861763 /nfs/dbraw/zinc/86/17/63/383861763.db2.gz BTTNPLQQIQOQKA-LLVKDONJSA-N 0 1 291.347 2.905 20 30 CFEDMN N#Cc1ccc(CN[C@@H](c2ccccc2)[C@H]2CCOC2)nc1 ZINC000573335169 383913789 /nfs/dbraw/zinc/91/37/89/383913789.db2.gz JJBQDRRTWLHDPQ-WMZOPIPTSA-N 0 1 293.370 2.821 20 30 CFEDMN N#Cc1ccc(CN[C@@H](c2ccccc2)[C@@H]2CCOC2)nc1 ZINC000573335166 383914224 /nfs/dbraw/zinc/91/42/24/383914224.db2.gz JJBQDRRTWLHDPQ-AEFFLSMTSA-N 0 1 293.370 2.821 20 30 CFEDMN C=CC[C@H](C)NC(=O)NC[C@@H](c1ccsc1)N(C)C ZINC000265289114 383887038 /nfs/dbraw/zinc/88/70/38/383887038.db2.gz JZDGFMDWMLEXLY-AAEUAGOBSA-N 0 1 281.425 2.615 20 30 CFEDMN CC(C)(C)OC(=O)[C@]1(C)CCN(Cc2ccc(C#N)o2)C1 ZINC000453627883 383887720 /nfs/dbraw/zinc/88/77/20/383887720.db2.gz VVFNSGAIHMWRHC-MRXNPFEDSA-N 0 1 290.363 2.705 20 30 CFEDMN COc1ccc(C#N)cc1CN1CCC[C@@H]2COCC[C@H]21 ZINC000438524573 384015749 /nfs/dbraw/zinc/01/57/49/384015749.db2.gz RRFBWCNOTVABLN-GDBMZVCRSA-N 0 1 286.375 2.568 20 30 CFEDMN C=CCOc1cccc(NC(=O)[C@@H](C)Cc2cnc[nH]2)c1 ZINC000574052244 384038259 /nfs/dbraw/zinc/03/82/59/384038259.db2.gz YJPMBKSJAZJQAR-LBPRGKRZSA-N 0 1 285.347 2.792 20 30 CFEDMN Cc1cc(C(=O)C(C#N)c2cc(C)nc(C)n2)oc1C ZINC000532622825 384053869 /nfs/dbraw/zinc/05/38/69/384053869.db2.gz DTGSTANGLKBZBX-LBPRGKRZSA-N 0 1 269.304 2.793 20 30 CFEDMN Cc1cc(C(=O)[C@@H](C#N)c2cc(C)nc(C)n2)oc1C ZINC000532622825 384053870 /nfs/dbraw/zinc/05/38/70/384053870.db2.gz DTGSTANGLKBZBX-LBPRGKRZSA-N 0 1 269.304 2.793 20 30 CFEDMN C#CCCOc1ccc(CN[C@@H](C)c2cnn(C)c2)cc1 ZINC000266138434 384090104 /nfs/dbraw/zinc/09/01/04/384090104.db2.gz GFMOZSCZSWIXQZ-AWEZNQCLSA-N 0 1 283.375 2.673 20 30 CFEDMN C[C@H](NCc1ccc(C#N)o1)[C@@H](O)c1cccc(F)c1 ZINC000267193685 384320304 /nfs/dbraw/zinc/32/03/04/384320304.db2.gz MXNFBEVFUXIEJT-ZUZCIYMTSA-N 0 1 274.295 2.502 20 30 CFEDMN C#CCCCCC(=O)N[C@@H](C)c1n[nH]c([C@H](C)CC)n1 ZINC000277680705 384373871 /nfs/dbraw/zinc/37/38/71/384373871.db2.gz CBPRSBNXPFSILD-NEPJUHHUSA-N 0 1 276.384 2.689 20 30 CFEDMN C=CCCCC(=O)N[C@H](C)c1n[nH]c([C@@H](C)CC)n1 ZINC000277762105 384399043 /nfs/dbraw/zinc/39/90/43/384399043.db2.gz IIGXBYHGTWGTKV-WDEREUQCSA-N 0 1 264.373 2.852 20 30 CFEDMN CN(C)c1ccccc1CNCc1ccc(C#N)s1 ZINC000267874447 384482057 /nfs/dbraw/zinc/48/20/57/384482057.db2.gz LPDCCCZPKNDNFG-UHFFFAOYSA-N 0 1 271.389 2.976 20 30 CFEDMN C[C@]1(NCc2ccccc2C#N)CCO[C@@H]1C1CC1 ZINC000374632737 220324543 /nfs/dbraw/zinc/32/45/43/220324543.db2.gz VFHKTUWIKJNYPJ-CVEARBPZSA-N 0 1 256.349 2.605 20 30 CFEDMN C=C(CNC(=O)N[C@@H]1CCCc2cn[nH]c21)c1ccccc1 ZINC000289318640 197295762 /nfs/dbraw/zinc/29/57/62/197295762.db2.gz WZXWHWGMQUDQIV-OAHLLOKOSA-N 0 1 296.374 2.800 20 30 CFEDMN C=CCOc1ccccc1C[N@@H+]1CC[C@@H](C)[C@@H](C(=O)[O-])C1 ZINC000574810473 335049244 /nfs/dbraw/zinc/04/92/44/335049244.db2.gz HMWKBBZKMAHLOK-HIFRSBDPSA-N 0 1 289.375 2.794 20 30 CFEDMN C#C[C@H](C)NCc1cc(Cl)c(OCC)c(OC)c1 ZINC000289323055 197297010 /nfs/dbraw/zinc/29/70/10/197297010.db2.gz FZMJJXNRNLQIEW-JTQLQIEISA-N 0 1 267.756 2.859 20 30 CFEDMN Cc1ccccc1CN1CCN(c2cccnc2C#N)CC1 ZINC000278654366 384593199 /nfs/dbraw/zinc/59/31/99/384593199.db2.gz IMFIRYCKIIDXNB-UHFFFAOYSA-N 0 1 292.386 2.584 20 30 CFEDMN N#CCOc1ccc(CN2CCOC3(CCCC3)C2)cc1 ZINC000268950316 384700354 /nfs/dbraw/zinc/70/03/54/384700354.db2.gz CEKDLNGPRSHHDI-UHFFFAOYSA-N 0 1 286.375 2.734 20 30 CFEDMN C=C(C)[C@H]1OCC[C@H]1C(=O)Nc1cccc(Cl)c1O ZINC000279663325 384714094 /nfs/dbraw/zinc/71/40/94/384714094.db2.gz CPUINWCIYNKDCG-NOZJJQNGSA-N 0 1 281.739 2.965 20 30 CFEDMN C=CC[N@H+](C)C[C@H](O)Cc1ccc2ccccc2c1 ZINC000279829520 384777734 /nfs/dbraw/zinc/77/77/34/384777734.db2.gz YYOXBSBAYKKGAR-QGZVFWFLSA-N 0 1 255.361 2.861 20 30 CFEDMN Cn1cccc1CNC1(c2cccc(C#N)c2)CC1 ZINC000269630809 384811546 /nfs/dbraw/zinc/81/15/46/384811546.db2.gz UERBKZXZWWJWRV-UHFFFAOYSA-N 0 1 251.333 2.676 20 30 CFEDMN C=C(C)COCCNCc1cc(OC)c(O)cc1Cl ZINC000638756830 384891568 /nfs/dbraw/zinc/89/15/68/384891568.db2.gz MANBKUYHEXRBCA-UHFFFAOYSA-N 0 1 285.771 2.737 20 30 CFEDMN C[C@@H](C(=O)N(C)CCC#N)N1Cc2ccccc2C(C)(C)C1 ZINC000270381791 385080663 /nfs/dbraw/zinc/08/06/63/385080663.db2.gz PWRGMRGGCVVULC-AWEZNQCLSA-N 0 1 299.418 2.540 20 30 CFEDMN C#CC[C@H](NCc1ccnn1CC)c1ccccc1 ZINC000270252969 385031845 /nfs/dbraw/zinc/03/18/45/385031845.db2.gz UVNSJZGVYMVRQJ-INIZCTEOSA-N 0 1 253.349 2.757 20 30 CFEDMN C=C[C@H]1CCCC[N@@H+]1Cc1ccc2oc(=O)n(C)c2c1 ZINC000639113326 385210169 /nfs/dbraw/zinc/21/01/69/385210169.db2.gz ZLDUUPLKFQDBEP-ZDUSSCGKSA-N 0 1 272.348 2.672 20 30 CFEDMN C=C[C@H]1CCCCN1Cc1ccc2oc(=O)n(C)c2c1 ZINC000639113326 385210175 /nfs/dbraw/zinc/21/01/75/385210175.db2.gz ZLDUUPLKFQDBEP-ZDUSSCGKSA-N 0 1 272.348 2.672 20 30 CFEDMN C=CCN1CC[C@@H](N2CCC[C@H]2c2ccc(F)cc2)C1=O ZINC000282101649 385211771 /nfs/dbraw/zinc/21/17/71/385211771.db2.gz WDHULNAEOFGIBI-JKSUJKDBSA-N 0 1 288.366 2.750 20 30 CFEDMN COc1ccc(CN[C@@H](C)c2n[nH]c(C(C)C)n2)cc1C#N ZINC000270750324 385213600 /nfs/dbraw/zinc/21/36/00/385213600.db2.gz YCMQIMQHOOWBER-NSHDSACASA-N 0 1 299.378 2.659 20 30 CFEDMN C=CCN1CC[C@H](N[C@H](C)c2cccc(OCC)c2)C1=O ZINC000281180481 195136891 /nfs/dbraw/zinc/13/68/91/195136891.db2.gz LTHSLYZKCJUCLO-CJNGLKHVSA-N 0 1 288.391 2.523 20 30 CFEDMN C=CCN1CC[C@@H](N(C)[C@H](C)c2cccs2)C1=O ZINC000282134156 385222635 /nfs/dbraw/zinc/22/26/35/385222635.db2.gz YZLGPRPAJLTWIL-VXGBXAGGSA-N 0 1 264.394 2.528 20 30 CFEDMN C=CCN1CC[C@@H](N(C)[C@@H](C)c2cccs2)C1=O ZINC000282134154 385222989 /nfs/dbraw/zinc/22/29/89/385222989.db2.gz YZLGPRPAJLTWIL-NWDGAFQWSA-N 0 1 264.394 2.528 20 30 CFEDMN C#CCN(C)Cc1ccc(SC(=O)N(C)C)cc1 ZINC000192230636 533109452 /nfs/dbraw/zinc/10/94/52/533109452.db2.gz RQJOEDZOZLQYNS-UHFFFAOYSA-N 0 1 262.378 2.525 20 30 CFEDMN COc1cc(CN(CCO)Cc2ccccc2)ccc1C#N ZINC000282282759 385270410 /nfs/dbraw/zinc/27/04/10/385270410.db2.gz LDGXVYFFBNPBIH-UHFFFAOYSA-N 0 1 296.370 2.561 20 30 CFEDMN C=C(C)CN(CC)Cc1c(C)nc2sc(C)nn21 ZINC000270990068 385293246 /nfs/dbraw/zinc/29/32/46/385293246.db2.gz HCTZHHKJSDGLRZ-UHFFFAOYSA-N 0 1 264.398 2.806 20 30 CFEDMN N#Cc1ccc(CN[C@@]2(CO)CCCc3ccccc32)s1 ZINC000282374456 385296849 /nfs/dbraw/zinc/29/68/49/385296849.db2.gz OCDUNENFDRFJCA-QGZVFWFLSA-N 0 1 298.411 2.933 20 30 CFEDMN COCCN(CCOCC(C)C)Cc1ccc(C#N)cc1 ZINC000282677066 385367518 /nfs/dbraw/zinc/36/75/18/385367518.db2.gz NCHDEOYLVIJTLG-UHFFFAOYSA-N 0 1 290.407 2.679 20 30 CFEDMN C#CCCN1CCN(Cc2csc(CCCC)n2)CC1 ZINC000272037878 385433035 /nfs/dbraw/zinc/43/30/35/385433035.db2.gz QNFLOZKXQMQASJ-UHFFFAOYSA-N 0 1 291.464 2.627 20 30 CFEDMN COc1ccc(CN[C@@H](C)c2ccc(C#N)cc2)nc1 ZINC000272053039 385436812 /nfs/dbraw/zinc/43/68/12/385436812.db2.gz QTHKTRFXYNOEHX-LBPRGKRZSA-N 0 1 267.332 2.813 20 30 CFEDMN C=CCNC(=O)[C@@H](C)N[C@H](C)c1ccccc1SC ZINC000283517335 385471608 /nfs/dbraw/zinc/47/16/08/385471608.db2.gz MWBUUXYMXMQJQI-VXGBXAGGSA-N 0 1 278.421 2.750 20 30 CFEDMN CC(C)(C)[C@H]1CCN(Cc2ccccc2C#N)C[C@@H]1O ZINC000272336844 385513422 /nfs/dbraw/zinc/51/34/22/385513422.db2.gz ODKFAEVOMDHYHZ-HOTGVXAUSA-N 0 1 272.392 2.787 20 30 CFEDMN CN(CC#Cc1ccc(C(F)(F)F)cc1)C1(CO)CC1 ZINC000285393503 385555097 /nfs/dbraw/zinc/55/50/97/385555097.db2.gz DQEJVADYGOYARR-UHFFFAOYSA-N 0 1 283.293 2.514 20 30 CFEDMN CN(Cc1cc(C#N)ccc1F)C[C@@H]1CCCC[C@H]1O ZINC000272547722 385562125 /nfs/dbraw/zinc/56/21/25/385562125.db2.gz OFUXXASFRVVQJI-XJKSGUPXSA-N 0 1 276.355 2.680 20 30 CFEDMN C=CCN(CCc1ccco1)Cc1ccnn1CC ZINC000272639192 385581265 /nfs/dbraw/zinc/58/12/65/385581265.db2.gz OBZJZDBKSKHJML-UHFFFAOYSA-N 0 1 259.353 2.727 20 30 CFEDMN N#Cc1ccc(CN2CC[C@@H](C(F)(F)F)[C@H](CO)C2)cc1 ZINC000286278070 385582402 /nfs/dbraw/zinc/58/24/02/385582402.db2.gz BQEMUJNUJHYBEU-UONOGXRCSA-N 0 1 298.308 2.551 20 30 CFEDMN N#Cc1cccc(OCCN2CCCc3occc3C2)c1 ZINC000288733667 197154758 /nfs/dbraw/zinc/15/47/58/197154758.db2.gz GUKNIZWXYDBIPX-UHFFFAOYSA-N 0 1 282.343 2.978 20 30 CFEDMN C=CCCCCCCNc1nc2[nH]ncc2c(=O)[nH]1 ZINC000286498831 385635915 /nfs/dbraw/zinc/63/59/15/385635915.db2.gz RXTWGWLYWCJJSS-UHFFFAOYSA-N 0 1 261.329 2.607 20 30 CFEDMN C=CCOCC[N@H+]1CC[C@H](c2ccc3cccnc3n2)C1 ZINC000639793968 385711984 /nfs/dbraw/zinc/71/19/84/385711984.db2.gz XQQASJKWPMMMOK-HNNXBMFYSA-N 0 1 283.375 2.622 20 30 CFEDMN COCCOCc1ccc(CN2CCC(C#N)CC2)cc1 ZINC000347861366 533141952 /nfs/dbraw/zinc/14/19/52/533141952.db2.gz VGKHFRJZFFDYCE-UHFFFAOYSA-N 0 1 288.391 2.585 20 30 CFEDMN CC#CCN[C@H](CCO)c1ccc(Cl)c(F)c1 ZINC000639915726 385768628 /nfs/dbraw/zinc/76/86/28/385768628.db2.gz BCLNYJFKFNTBNW-CYBMUJFWSA-N 0 1 255.720 2.516 20 30 CFEDMN C=CCN(Cc1cc(-c2cnn(C)c2C)no1)C1CC1 ZINC000274334180 385768746 /nfs/dbraw/zinc/76/87/46/385768746.db2.gz MCBCEKKVVANLLL-UHFFFAOYSA-N 0 1 272.352 2.534 20 30 CFEDMN C=CC[C@@H](C)NS(=O)(=O)c1c(Cl)ccc(F)c1F ZINC000287087597 385777980 /nfs/dbraw/zinc/77/79/80/385777980.db2.gz YLEOOKLLWVESJV-SSDOTTSWSA-N 0 1 295.738 2.861 20 30 CFEDMN CC#CCCCC(=O)Nc1ccccc1-c1nnc[nH]1 ZINC000274437283 385798549 /nfs/dbraw/zinc/79/85/49/385798549.db2.gz WTLSPRHFLYMBFW-UHFFFAOYSA-N 0 1 268.320 2.604 20 30 CFEDMN C=C(C)C[C@H](C)C(=O)N[C@H](C)c1n[nH]c(C(C)C)n1 ZINC000274493339 385811633 /nfs/dbraw/zinc/81/16/33/385811633.db2.gz KLOUTJLPIBTRER-WDEREUQCSA-N 0 1 264.373 2.708 20 30 CFEDMN C=C(C)CCN(C)[C@H]1CCN(c2ccccc2F)C1=O ZINC000274779450 385869811 /nfs/dbraw/zinc/86/98/11/385869811.db2.gz KGZOVXGDMBYCKQ-HNNXBMFYSA-N 0 1 276.355 2.829 20 30 CFEDMN C=CC[C@H](C(=O)N[C@H](C)c1n[nH]c(CC)n1)c1ccccc1 ZINC000275318175 385974882 /nfs/dbraw/zinc/97/48/82/385974882.db2.gz KNFJTPRMMWDHBU-OCCSQVGLSA-N 0 1 298.390 2.904 20 30 CFEDMN C#C[C@@H](NC(=O)c1c[nH]c2ccccc2c1=O)C(C)(C)C ZINC000288146664 197014173 /nfs/dbraw/zinc/01/41/73/197014173.db2.gz JITBZSONBAVTTP-CQSZACIVSA-N 0 1 282.343 2.718 20 30 CFEDMN C=CCCCCCCNC(=O)N[C@@H](C)c1n[nH]c(CC)n1 ZINC000288119361 197007607 /nfs/dbraw/zinc/00/76/07/197007607.db2.gz WEVLAANYAAKFAM-LBPRGKRZSA-N 0 1 293.415 2.864 20 30 CFEDMN CC(=O)c1cccc(NC(=O)c2cc(O)cc(C#N)c2)c1 ZINC000681577523 542466272 /nfs/dbraw/zinc/46/62/72/542466272.db2.gz DJRLIHUHCYVSPY-UHFFFAOYSA-N 0 1 280.283 2.719 20 30 CFEDMN C=CC[C@@H](CC)NC(=O)N[C@@H](C)c1n[nH]c(C(C)C)n1 ZINC000281297654 195187071 /nfs/dbraw/zinc/18/70/71/195187071.db2.gz JAVNNNAHMUZAIO-WDEREUQCSA-N 0 1 279.388 2.643 20 30 CFEDMN C=CCN1CC[C@@H](N[C@@H](C)c2ccc(Cl)cc2)C1=O ZINC000281333991 195200022 /nfs/dbraw/zinc/20/00/22/195200022.db2.gz WBBCYJIATQCCSA-SMDDNHRTSA-N 0 1 278.783 2.778 20 30 CFEDMN C=CCN1CC[C@@H](N(C)[C@@H](C)c2cccc(C)c2)C1=O ZINC000281491219 195261723 /nfs/dbraw/zinc/26/17/23/195261723.db2.gz XIXKDFUQRKKYTI-GOEBONIOSA-N 0 1 272.392 2.775 20 30 CFEDMN C=CCN1CC[C@H](N(C)[C@H](C)c2cccc(C)c2)C1=O ZINC000281491225 195262029 /nfs/dbraw/zinc/26/20/29/195262029.db2.gz XIXKDFUQRKKYTI-ZBFHGGJFSA-N 0 1 272.392 2.775 20 30 CFEDMN CCc1cnc(N2CCN(CCCCC#N)CC2)s1 ZINC000336803410 262395833 /nfs/dbraw/zinc/39/58/33/262395833.db2.gz YJJNEPIKXVZCOG-UHFFFAOYSA-N 0 1 278.425 2.521 20 30 CFEDMN C[C@@H](NCC(=O)NC1(C#N)CCC1)c1ccc(Cl)cc1 ZINC000347054045 533345674 /nfs/dbraw/zinc/34/56/74/533345674.db2.gz MILKZWUEQUJXIT-LLVKDONJSA-N 0 1 291.782 2.553 20 30 CFEDMN CC[C@@H](C)CN1CCO[C@H](c2cccc(C#N)c2)C1 ZINC000341805934 130068306 /nfs/dbraw/zinc/06/83/06/130068306.db2.gz CUWKQMIVQRZNFS-CJNGLKHVSA-N 0 1 258.365 2.978 20 30 CFEDMN C[C@@H]1CCN(CC(=O)Nc2cc(Cl)ccc2C#N)[C@H]1C ZINC000248329081 131113596 /nfs/dbraw/zinc/11/35/96/131113596.db2.gz DBBUKGXUZSTCEK-MNOVXSKESA-N 0 1 291.782 2.880 20 30 CFEDMN C=CCCC(=O)NC[C@@H](c1ccc(C)o1)N1CCCC1 ZINC000263764355 131325153 /nfs/dbraw/zinc/32/51/53/131325153.db2.gz DHQQGKQAADLRIZ-AWEZNQCLSA-N 0 1 276.380 2.807 20 30 CFEDMN CC1CCN(CCNc2ncc(C#N)cc2Cl)CC1 ZINC000263791791 131332570 /nfs/dbraw/zinc/33/25/70/131332570.db2.gz NTYVBPXLYSHADV-UHFFFAOYSA-N 0 1 278.787 2.750 20 30 CFEDMN C=CC[C@@H]1N(C(=O)NCc2cc(C)[nH]n2)CCCC1(C)C ZINC000683565229 542699843 /nfs/dbraw/zinc/69/98/43/542699843.db2.gz VCCMRTALOLHDAN-AWEZNQCLSA-N 0 1 290.411 2.994 20 30 CFEDMN Cc1sc(NC(=O)CN(C)CC(C)C)c(C#N)c1C ZINC000267409019 131867203 /nfs/dbraw/zinc/86/72/03/131867203.db2.gz SRDSRFBAULFYRJ-UHFFFAOYSA-N 0 1 279.409 2.763 20 30 CFEDMN C=CCC[C@H](O)CN(C)Cc1cnn(-c2ccccc2)c1 ZINC000268680643 132048262 /nfs/dbraw/zinc/04/82/62/132048262.db2.gz XAJAEHNPIHSWEV-KRWDZBQOSA-N 0 1 285.391 2.631 20 30 CFEDMN C#CCNC(=O)CCN[C@@H](C)c1cccc(Cl)c1Cl ZINC000268778751 132065309 /nfs/dbraw/zinc/06/53/09/132065309.db2.gz BFTFOBPGJIYIAT-JTQLQIEISA-N 0 1 299.201 2.784 20 30 CFEDMN C[C@](C#N)(NC(=O)CN1CCC[C@@H](C2CC2)C1)C1CC1 ZINC000329508935 393540395 /nfs/dbraw/zinc/54/03/95/393540395.db2.gz BCEIPBZEHRIXBB-CZUORRHYSA-N 0 1 275.396 2.757 20 30 CFEDMN CC[C@H]1CN(Cc2ccc(C#N)cc2C)C[C@H](C)O1 ZINC000186228098 393542050 /nfs/dbraw/zinc/54/20/50/393542050.db2.gz IQVMWSJGGYBXBH-BBRMVZONSA-N 0 1 258.365 2.866 20 30 CFEDMN C=CCC[C@@H](NC(=O)N[C@@H](C)c1nnc[nH]1)c1ccccc1 ZINC000183347736 393520322 /nfs/dbraw/zinc/52/03/22/393520322.db2.gz VMXFUWWSDSNWMO-GXTWGEPZSA-N 0 1 299.378 2.872 20 30 CFEDMN CC1=CCN(CCNC(=O)C2(C#N)CCCC2)CC1 ZINC000329191770 393532096 /nfs/dbraw/zinc/53/20/96/393532096.db2.gz QOJJTMVCMPWPOG-UHFFFAOYSA-N 0 1 261.369 2.679 20 30 CFEDMN CCc1nc([C@H](C)NC(=O)[C@@H]2CC(=O)N[C@H](CC)C2)n[nH]1 ZINC000329435096 393534941 /nfs/dbraw/zinc/53/49/41/393534941.db2.gz LPOULXWJVVEQDJ-LPEHRKFASA-N 0 1 293.371 2.530 20 30 CFEDMN CCCCN(CC(=O)Nc1cccc(C#N)c1)C1CC1 ZINC000042373824 393553075 /nfs/dbraw/zinc/55/30/75/393553075.db2.gz DTMJKGQRCHUURA-UHFFFAOYSA-N 0 1 271.364 2.761 20 30 CFEDMN C=C(C)CN(CC)CC(=O)N(C)Cc1ccc(F)cc1 ZINC000048617323 393590217 /nfs/dbraw/zinc/59/02/17/393590217.db2.gz QAUWUFYCXITZIL-UHFFFAOYSA-N 0 1 278.371 2.682 20 30 CFEDMN COCC1(C#N)CCN([C@H]2C[C@H]2c2cccc(F)c2)CC1 ZINC000411771702 393746791 /nfs/dbraw/zinc/74/67/91/393746791.db2.gz UPFDYFKLSGFWDS-HOTGVXAUSA-N 0 1 288.366 2.934 20 30 CFEDMN N#CCc1ccc(CN2CCO[C@@H](C3CCC3)C2)cc1 ZINC000411840216 393754239 /nfs/dbraw/zinc/75/42/39/393754239.db2.gz DVPOUZVEIBHIBF-QGZVFWFLSA-N 0 1 270.376 2.754 20 30 CFEDMN CC[C@@H](C(=O)Nc1ccc(CC#N)cc1Cl)N(C)C ZINC000413825947 393789839 /nfs/dbraw/zinc/78/98/39/393789839.db2.gz ACHNVRGGMDGMMT-ZDUSSCGKSA-N 0 1 279.771 2.685 20 30 CFEDMN C=CCCN[C@@H](C)c1nc(-c2ccccc2OC)no1 ZINC000338571626 393792139 /nfs/dbraw/zinc/79/21/39/393792139.db2.gz QEHBESULUBLYLM-NSHDSACASA-N 0 1 273.336 2.972 20 30 CFEDMN C=C(C)CN(C)[C@H]1CCN([C@H](C)c2ccc(F)cc2)C1=O ZINC000339078109 393816196 /nfs/dbraw/zinc/81/61/96/393816196.db2.gz HWDFDCOLSGMFNQ-CJNGLKHVSA-N 0 1 290.382 2.996 20 30 CFEDMN C=C(C)CN(C)[C@@H]1CCN([C@H](C)c2ccc(F)cc2)C1=O ZINC000339078110 393816522 /nfs/dbraw/zinc/81/65/22/393816522.db2.gz HWDFDCOLSGMFNQ-CZUORRHYSA-N 0 1 290.382 2.996 20 30 CFEDMN C[C@H]1CCN(Cc2cc(C#N)cs2)C[C@H]1n1ccnc1 ZINC000245729128 393825416 /nfs/dbraw/zinc/82/54/16/393825416.db2.gz FACOMTLLLBHBAS-SWLSCSKDSA-N 0 1 286.404 2.899 20 30 CFEDMN CN(CC#Cc1ccc(C(F)(F)F)cc1)[C@@H]1CCOC1 ZINC000427022562 393891420 /nfs/dbraw/zinc/89/14/20/393891420.db2.gz JPZHOAZMZGUORB-CQSZACIVSA-N 0 1 283.293 2.778 20 30 CFEDMN CCOC(=O)CCN(C)CC#Cc1ccc(Cl)cc1 ZINC000427602015 393894328 /nfs/dbraw/zinc/89/43/28/393894328.db2.gz NMOHNWNLFBALEE-UHFFFAOYSA-N 0 1 279.767 2.577 20 30 CFEDMN C=CCN(Cc1cccc(C#N)c1)C[C@H]1CCCO1 ZINC000119660930 393923110 /nfs/dbraw/zinc/92/31/10/393923110.db2.gz TWDNWYWUKVUXFB-MRXNPFEDSA-N 0 1 256.349 2.725 20 30 CFEDMN CO[C@@H]1[C@H]2C[C@H]3CN(Cc4cccc(F)c4C#N)[C@H]1[C@H]3C2 ZINC000428936753 393923133 /nfs/dbraw/zinc/92/31/33/393923133.db2.gz BXCGSDSFPKQFRP-UCQBOQSVSA-N 0 1 286.350 2.553 20 30 CFEDMN C=C1CCN(CCOCC(F)(F)C(F)(F)F)CC1 ZINC000346260614 393924582 /nfs/dbraw/zinc/92/45/82/393924582.db2.gz MCWGHRJSMSSJOG-UHFFFAOYSA-N 0 1 273.245 2.853 20 30 CFEDMN Cc1nc(N(C)Cc2cc(C(C)(C)C)[nH]n2)ccc1C#N ZINC000487747680 394021995 /nfs/dbraw/zinc/02/19/95/394021995.db2.gz HDWQHWJWGHEHFP-UHFFFAOYSA-N 0 1 283.379 2.919 20 30 CFEDMN C#CCOc1ccc(C[N@H+]2CCC[C@H](c3ccn[nH]3)C2)cc1 ZINC000121242201 393952889 /nfs/dbraw/zinc/95/28/89/393952889.db2.gz KBUDODPZQJKSNG-INIZCTEOSA-N 0 1 295.386 2.801 20 30 CFEDMN C=CCOc1ccccc1CN(C)[C@@H]1CCCOC1 ZINC000348712616 393957446 /nfs/dbraw/zinc/95/74/46/393957446.db2.gz VHADUGBRJXKKPP-OAHLLOKOSA-N 0 1 261.365 2.862 20 30 CFEDMN C=CCOc1ccc(CNCc2cnn(C=C)c2)cc1 ZINC000352952303 394022906 /nfs/dbraw/zinc/02/29/06/394022906.db2.gz QCXKOHRHEJQIFO-UHFFFAOYSA-N 0 1 269.348 2.838 20 30 CFEDMN CCn1cncc1CNC1(c2cccc(C#N)c2)CC1 ZINC000417955762 394009594 /nfs/dbraw/zinc/00/95/94/394009594.db2.gz RZVGTEXWFAWAJU-UHFFFAOYSA-N 0 1 266.348 2.554 20 30 CFEDMN C#CCN(Cc1ccc(C#N)cn1)C1CCCCC1 ZINC000491683124 394055657 /nfs/dbraw/zinc/05/56/57/394055657.db2.gz WSJLHJALKAPNNG-UHFFFAOYSA-N 0 1 253.349 2.721 20 30 CFEDMN CO[C@@]1(C)CCCN(CC#Cc2ccc(F)cc2)C1 ZINC000279216622 394065950 /nfs/dbraw/zinc/06/59/50/394065950.db2.gz CJWQSCJXZZZTAP-INIZCTEOSA-N 0 1 261.340 2.678 20 30 CFEDMN Cc1cc(CN2CCC[C@H]2[C@@H](O)C(F)(F)F)ccc1C#N ZINC000487903916 394029297 /nfs/dbraw/zinc/02/92/97/394029297.db2.gz CJPOZCWZUGXZLA-UONOGXRCSA-N 0 1 298.308 2.754 20 30 CFEDMN COC(=O)C[C@@H]1CCCN1Cc1ccc(C#N)cc1Cl ZINC000439451859 394115843 /nfs/dbraw/zinc/11/58/43/394115843.db2.gz MVZBFZQJFIHWNA-ZDUSSCGKSA-N 0 1 292.766 2.739 20 30 CFEDMN CC(C)C[N@H+]1CCCC[C@@H]1CNCc1ccc(C#N)o1 ZINC000130872115 394120390 /nfs/dbraw/zinc/12/03/90/394120390.db2.gz VDPQBPANXZLKMW-CQSZACIVSA-N 0 1 275.396 2.751 20 30 CFEDMN C=CCN1CC[C@H](N2CCCCC[C@H]2c2ccco2)C1=O ZINC000282136593 394121731 /nfs/dbraw/zinc/12/17/31/394121731.db2.gz ZFVANIWOGGDJNX-GJZGRUSLSA-N 0 1 288.391 2.984 20 30 CFEDMN CCCCCCCCOCC(=O)N1CCCN(C)CC1 ZINC000360925856 394160905 /nfs/dbraw/zinc/16/09/05/394160905.db2.gz HMOLUBMYZXYZQW-UHFFFAOYSA-N 0 1 284.444 2.528 20 30 CFEDMN C=CCOc1ccc(CN2CCC(F)(F)[C@@H](CO)C2)cc1 ZINC000361078891 394165026 /nfs/dbraw/zinc/16/50/26/394165026.db2.gz JWZHIELPKYRWTH-CQSZACIVSA-N 0 1 297.345 2.701 20 30 CFEDMN CC(C)(C)[C@H]1CCCN([C@@H](C(N)=O)c2ccc(C#N)cc2)C1 ZINC000361549680 394174623 /nfs/dbraw/zinc/17/46/23/394174623.db2.gz OYCCTPRHRGKDGN-JKSUJKDBSA-N 0 1 299.418 2.843 20 30 CFEDMN C=CCCCCCN(C)CC(=O)Nc1c(C)nn(C)c1C ZINC000150894164 394256052 /nfs/dbraw/zinc/25/60/52/394256052.db2.gz ITBMPQPWVPHKBP-UHFFFAOYSA-N 0 1 292.427 2.654 20 30 CFEDMN CN(CCC1CC1)CC(=O)Nc1cc(Cl)ccc1C#N ZINC000135253705 394215340 /nfs/dbraw/zinc/21/53/40/394215340.db2.gz LCNZADGZIGVLFN-UHFFFAOYSA-N 0 1 291.782 2.882 20 30 CFEDMN CC#CCCN1CCCN(C(=O)c2cccc(C)c2)CC1 ZINC000155091375 394309772 /nfs/dbraw/zinc/30/97/72/394309772.db2.gz IOHUOEZWSVERIS-UHFFFAOYSA-N 0 1 284.403 2.556 20 30 CFEDMN C=C(C)CN(CC)[C@@H](C(=O)N(C)C)c1ccccc1 ZINC000170695258 394371470 /nfs/dbraw/zinc/37/14/70/394371470.db2.gz WNMHRRBBFRBQCB-OAHLLOKOSA-N 0 1 260.381 2.714 20 30 CFEDMN N#Cc1cc(F)ccc1CN1CCC[C@@H]1[C@@H]1CCC[C@@H]1O ZINC000451425983 394376109 /nfs/dbraw/zinc/37/61/09/394376109.db2.gz UTCUREIYXHZRQO-BBWFWOEESA-N 0 1 288.366 2.823 20 30 CFEDMN C[C@H]1CCCN1Cc1nnc(-c2ccc(C#N)cc2)o1 ZINC000174405731 394378443 /nfs/dbraw/zinc/37/84/43/394378443.db2.gz DVRLIQXJONCBPT-NSHDSACASA-N 0 1 268.320 2.593 20 30 CFEDMN Cc1ncc([C@H](C)NCc2ccc(C#N)c(F)c2)c(C)n1 ZINC000453397453 394396607 /nfs/dbraw/zinc/39/66/07/394396607.db2.gz ZNPURRRGYHFZNC-JTQLQIEISA-N 0 1 284.338 2.955 20 30 CFEDMN N#Cc1cnccc1NC[C@@H](c1ccco1)N1CCCCC1 ZINC000545947781 394810087 /nfs/dbraw/zinc/81/00/87/394810087.db2.gz SMNINCRXIVJGRR-INIZCTEOSA-N 0 1 296.374 2.607 20 30 CFEDMN C=CC[C@@H](CC)NC(=O)c1cc(F)cc2nc[nH]c21 ZINC000281697840 542964786 /nfs/dbraw/zinc/96/47/86/542964786.db2.gz LTIKJWSBFYLJDM-SNVBAGLBSA-N 0 1 261.300 2.787 20 30 CFEDMN C[C@@H](c1ccccc1)[N@H+]1CC[C@H](Nc2ccncc2C#N)C1 ZINC000548481252 394934993 /nfs/dbraw/zinc/93/49/93/394934993.db2.gz IGHGEDCGQWCDDT-YOEHRIQHSA-N 0 1 292.386 2.623 20 30 CFEDMN C[C@](O)(CN[C@H](CCC#N)c1ccccc1)C(F)(F)F ZINC000564723173 395081736 /nfs/dbraw/zinc/08/17/36/395081736.db2.gz HHKRPGIDLRAPGR-OLZOCXBDSA-N 0 1 286.297 2.934 20 30 CFEDMN C=CCOc1ccc(Cc2nc([C@@H]3CCCN3)no2)cc1 ZINC000647144728 395174123 /nfs/dbraw/zinc/17/41/23/395174123.db2.gz DZLZYPLYEBEGKE-AWEZNQCLSA-N 0 1 285.347 2.650 20 30 CFEDMN C=C[C@H](CC(=O)N1C[C@H](C)N[C@@H](C)C1)c1ccccc1 ZINC000649272320 395466067 /nfs/dbraw/zinc/46/60/67/395466067.db2.gz UCBBWSIXDREJHB-SOUVJXGZSA-N 0 1 272.392 2.555 20 30 CFEDMN C=CCC1(C(=O)N[C@@H]2CCCN(C)C2)CCCCC1 ZINC000648274340 395533757 /nfs/dbraw/zinc/53/37/57/395533757.db2.gz ZABNTEYULDBSPI-CQSZACIVSA-N 0 1 264.413 2.723 20 30 CFEDMN C=C(C)CN(C)C(=O)NC[C@H](c1cccs1)N(C)C ZINC000182106441 543027333 /nfs/dbraw/zinc/02/73/33/543027333.db2.gz HJZBAZJWKSZNGO-GFCCVEGCSA-N 0 1 281.425 2.568 20 30 CFEDMN CCCc1cc(C(=O)C(C#N)c2nc3ccccc3[nH]2)n[nH]1 ZINC000047359392 397585237 /nfs/dbraw/zinc/58/52/37/397585237.db2.gz SZBHYYYKJXCSKJ-NSHDSACASA-N 0 1 293.330 2.729 20 30 CFEDMN CCCc1cc(C(=O)[C@H](C#N)c2nc3ccccc3[nH]2)n[nH]1 ZINC000047359392 397585239 /nfs/dbraw/zinc/58/52/39/397585239.db2.gz SZBHYYYKJXCSKJ-NSHDSACASA-N 0 1 293.330 2.729 20 30 CFEDMN C=C(C)CN(C)CC(=O)N[C@@H](C)c1ccc(C)c(C)c1 ZINC000181287764 397609441 /nfs/dbraw/zinc/60/94/41/397609441.db2.gz KJGLLPNISYVJIT-HNNXBMFYSA-N 0 1 274.408 2.989 20 30 CFEDMN C=CCCC[N@@H+]1CC[C@H](C(=O)[O-])[C@@H]2CCCC[C@H]21 ZINC000656766442 413196548 /nfs/dbraw/zinc/19/65/48/413196548.db2.gz RVJHKUVFIGVTGG-MELADBBJSA-N 0 1 251.370 2.918 20 30 CFEDMN C=C(CC)C[N@H+]1CC[C@H](C(=O)[O-])[C@@H]2CCCC[C@H]21 ZINC000656768692 413200301 /nfs/dbraw/zinc/20/03/01/413200301.db2.gz WIHSYYRZVUSGFS-MELADBBJSA-N 0 1 251.370 2.918 20 30 CFEDMN C[C@@H]1[C@H](CO)CCN1Cc1ccc(C#N)cc1C(F)(F)F ZINC000356385541 155248702 /nfs/dbraw/zinc/24/87/02/155248702.db2.gz FGXDSCGKLFNAGF-MFKMUULPSA-N 0 1 298.308 2.780 20 30 CFEDMN CN(Cc1cc(C(C)(C)C)[nH]n1)Cc1nc(C#N)cs1 ZINC000356425179 155261287 /nfs/dbraw/zinc/26/12/87/155261287.db2.gz MZZUKUHNFDVVIE-UHFFFAOYSA-N 0 1 289.408 2.667 20 30 CFEDMN CC1(C)CCCN(CCNc2nccc(C#N)c2Cl)C1 ZINC000343101068 154113495 /nfs/dbraw/zinc/11/34/95/154113495.db2.gz MQSBWACUCAGYFH-UHFFFAOYSA-N 0 1 292.814 2.562 20 30 CFEDMN CN(C)C(=O)c1cccc(CNCc2cc(C#N)cs2)c1 ZINC000343151199 154126554 /nfs/dbraw/zinc/12/65/54/154126554.db2.gz ADWYNIHTRDMAFS-UHFFFAOYSA-N 0 1 299.399 2.611 20 30 CFEDMN C[C@H](NCc1ncc(-c2ccc(C#N)cc2)o1)[C@@H]1CCCO1 ZINC000363831597 156196636 /nfs/dbraw/zinc/19/66/36/156196636.db2.gz ZJDNNSPKYKNODK-WFASDCNBSA-N 0 1 297.358 2.870 20 30 CFEDMN C[C@H](NCc1cnc2n1CCCC2)c1ccc(C#N)cc1 ZINC000367368647 156320883 /nfs/dbraw/zinc/32/08/83/156320883.db2.gz VOVPHFPRKDGGFS-ZDUSSCGKSA-N 0 1 280.375 2.942 20 30 CFEDMN Cc1cc([C@H]2CCCN(c3cc(C#N)cc(C)n3)C2)[nH]n1 ZINC000367822549 156394486 /nfs/dbraw/zinc/39/44/86/156394486.db2.gz AMQIQCLJAMJZSW-AWEZNQCLSA-N 0 1 281.363 2.677 20 30 CFEDMN C=CCCn1cc(CN(C)[C@@H]2CCC[C@H](C)C2)nn1 ZINC000653496411 413333070 /nfs/dbraw/zinc/33/30/70/413333070.db2.gz PVSKLIKFDSNINY-DZGCQCFKSA-N 0 1 262.401 2.865 20 30 CFEDMN CC(C)(C)[C@@H](CO)NCc1ncc(-c2ccc(C#N)cc2)o1 ZINC000373885255 157041445 /nfs/dbraw/zinc/04/14/45/157041445.db2.gz IBISSJGCGJXNAR-OAHLLOKOSA-N 0 1 299.374 2.710 20 30 CFEDMN Cc1[nH]ncc1C1CCN(C(=O)c2cc(C#N)oc2C)CC1 ZINC000375979576 157310421 /nfs/dbraw/zinc/31/04/21/157310421.db2.gz JGFWXPFXOJZBGH-UHFFFAOYSA-N 0 1 298.346 2.511 20 30 CFEDMN C=CCCn1cc(CN2CCC[C@@H]2C(C)(C)C)nn1 ZINC000653545892 413360775 /nfs/dbraw/zinc/36/07/75/413360775.db2.gz QJRPOMHXCVTKOH-CQSZACIVSA-N 0 1 262.401 2.865 20 30 CFEDMN C=CCCn1cc(CN2CCC[C@H](CC)CC2)nn1 ZINC000653557152 413366220 /nfs/dbraw/zinc/36/62/20/413366220.db2.gz FCYANAUZQHYIRR-AWEZNQCLSA-N 0 1 262.401 2.866 20 30 CFEDMN C=CCCn1cc(CN2CC[C@H](CC(C)C)C2)nn1 ZINC000653562088 413369051 /nfs/dbraw/zinc/36/90/51/413369051.db2.gz CNYGQUYLWOHMRO-CQSZACIVSA-N 0 1 262.401 2.722 20 30 CFEDMN C=CCCn1cc(CN2CCC[C@@H](CCC)C2)nn1 ZINC000653568573 413374445 /nfs/dbraw/zinc/37/44/45/413374445.db2.gz CCXDQKUDOLDGPH-CQSZACIVSA-N 0 1 262.401 2.866 20 30 CFEDMN CC(C)CN(Cc1c[nH]cn1)Cc1ccc(C#N)cc1 ZINC000350661315 163097721 /nfs/dbraw/zinc/09/77/21/163097721.db2.gz PTKLXXACPPESTI-UHFFFAOYSA-N 0 1 268.364 2.940 20 30 CFEDMN Cc1cccc2oc(CCNCc3nc(C#N)cs3)nc21 ZINC000352794004 163237523 /nfs/dbraw/zinc/23/75/23/163237523.db2.gz HABLYBNSGVHEHY-UHFFFAOYSA-N 0 1 298.371 2.797 20 30 CFEDMN N#Cc1csc(CNC2CCN(c3ccccc3)CC2)n1 ZINC000352830513 163246071 /nfs/dbraw/zinc/24/60/71/163246071.db2.gz AVNAWZIUASTUEU-UHFFFAOYSA-N 0 1 298.415 2.773 20 30 CFEDMN C[C@H](Cc1ccccc1F)NCc1nc(C#N)cs1 ZINC000352836446 163247139 /nfs/dbraw/zinc/24/71/39/163247139.db2.gz UJJONUVGAPSKTK-SNVBAGLBSA-N 0 1 275.352 2.875 20 30 CFEDMN C[C@H](CNCc1nc(C#N)cs1)N(C)c1ccccc1 ZINC000352837563 163247803 /nfs/dbraw/zinc/24/78/03/163247803.db2.gz BKRFJXKCDAENAD-GFCCVEGCSA-N 0 1 286.404 2.629 20 30 CFEDMN C[C@@H](CNCc1nc(C#N)cs1)N(C)c1ccccc1 ZINC000352837564 163248428 /nfs/dbraw/zinc/24/84/28/163248428.db2.gz BKRFJXKCDAENAD-LBPRGKRZSA-N 0 1 286.404 2.629 20 30 CFEDMN N#Cc1csc(CNCCc2c(F)cccc2F)n1 ZINC000352838417 163248437 /nfs/dbraw/zinc/24/84/37/163248437.db2.gz FAORXWGSDJOVJD-UHFFFAOYSA-N 0 1 279.315 2.625 20 30 CFEDMN N#Cc1csc(CNCCCNc2ccccc2F)n1 ZINC000352862713 163255942 /nfs/dbraw/zinc/25/59/42/163255942.db2.gz PEMPXJFINTVXRT-UHFFFAOYSA-N 0 1 290.367 2.746 20 30 CFEDMN COc1cc(CN[C@H](C)c2cncc(F)c2)ccc1C#N ZINC000353211981 163316650 /nfs/dbraw/zinc/31/66/50/163316650.db2.gz PCWOBRRHNOWVLW-LLVKDONJSA-N 0 1 285.322 2.952 20 30 CFEDMN N#Cc1cccc(CNCc2ccc3cc[nH]c3n2)c1 ZINC000353220688 163319771 /nfs/dbraw/zinc/31/97/71/163319771.db2.gz OJYYYAIWNWWTMR-UHFFFAOYSA-N 0 1 262.316 2.724 20 30 CFEDMN C[C@@H](NC(=O)c1cnccc1N(C)C)c1ccc(C#N)cc1 ZINC000353383992 163356098 /nfs/dbraw/zinc/35/60/98/163356098.db2.gz JVANACZEDXPCDK-GFCCVEGCSA-N 0 1 294.358 2.510 20 30 CFEDMN C#CCN[C@@H](c1cncc(Br)c1)C1CC1 ZINC000284685076 196111440 /nfs/dbraw/zinc/11/14/40/196111440.db2.gz HPQKQPKIFXSUBF-GFCCVEGCSA-N 0 1 265.154 2.518 20 30 CFEDMN C=CCCn1cc(CNC2CC(c3ccccc3)C2)nn1 ZINC000657351066 413480742 /nfs/dbraw/zinc/48/07/42/413480742.db2.gz JNTQOVORXVFEKM-UHFFFAOYSA-N 0 1 282.391 2.890 20 30 CFEDMN C=CCOCCNCc1cccc(OC2CC2)c1F ZINC000657429232 413595365 /nfs/dbraw/zinc/59/53/65/413595365.db2.gz HABITDVYYIOAMI-UHFFFAOYSA-N 0 1 265.328 2.659 20 30 CFEDMN C=CC[C@@H]1CC[C@@H](NCc2nnc(CC)s2)C1 ZINC000651813926 413654610 /nfs/dbraw/zinc/65/46/10/413654610.db2.gz CXZYPWNWDSQGMB-GHMZBOCLSA-N 0 1 251.399 2.935 20 30 CFEDMN C#CCOc1ccc(CN[C@@H](c2nccn2C)C2CC2)cc1 ZINC000285457683 196289540 /nfs/dbraw/zinc/28/95/40/196289540.db2.gz JODANVNTHOHCDS-QGZVFWFLSA-N 0 1 295.386 2.673 20 30 CFEDMN N#Cc1ccc(CN2CCC[C@@](O)(C(F)(F)F)CC2)cc1 ZINC000285467537 196293294 /nfs/dbraw/zinc/29/32/94/196293294.db2.gz HHMJZANTBFVAPU-AWEZNQCLSA-N 0 1 298.308 2.838 20 30 CFEDMN CN(CC#Cc1ccccc1)[C@@H](CO)Cc1ccccc1 ZINC000661091101 413748076 /nfs/dbraw/zinc/74/80/76/413748076.db2.gz FSCXJSIXSNYXIT-LJQANCHMSA-N 0 1 279.383 2.574 20 30 CFEDMN C=CC[C@H]1CCCN(CC(=O)NCc2sccc2C)C1 ZINC000661379590 413937478 /nfs/dbraw/zinc/93/74/78/413937478.db2.gz DNQPVJCDHQTMKF-AWEZNQCLSA-N 0 1 292.448 2.961 20 30 CFEDMN C=CC[C@@H]1CCCN(CC(=O)Nc2ccc(OC)cc2)C1 ZINC000661381066 413944242 /nfs/dbraw/zinc/94/42/42/413944242.db2.gz USVUJJMFUJBTKJ-CQSZACIVSA-N 0 1 288.391 2.922 20 30 CFEDMN C=CC[C@H]1CCC[N@@H+]([C@H](C)c2nc(C)cc(=O)[n-]2)C1 ZINC000661385372 413944779 /nfs/dbraw/zinc/94/47/79/413944779.db2.gz NZRGLRZVULMDIL-OLZOCXBDSA-N 0 1 261.369 2.840 20 30 CFEDMN C=CC[C@H]1CCC[N@H+]([C@H](C)c2nc(C)cc(=O)[n-]2)C1 ZINC000661385372 413944789 /nfs/dbraw/zinc/94/47/89/413944789.db2.gz NZRGLRZVULMDIL-OLZOCXBDSA-N 0 1 261.369 2.840 20 30 CFEDMN C=CC[C@@H]1CCC[N@@H+]([C@H](C)c2nc(C)cc(=O)[n-]2)C1 ZINC000661385369 413945465 /nfs/dbraw/zinc/94/54/65/413945465.db2.gz NZRGLRZVULMDIL-CHWSQXEVSA-N 0 1 261.369 2.840 20 30 CFEDMN C=CC[C@@H]1CCC[N@H+]([C@H](C)c2nc(C)cc(=O)[n-]2)C1 ZINC000661385369 413945474 /nfs/dbraw/zinc/94/54/74/413945474.db2.gz NZRGLRZVULMDIL-CHWSQXEVSA-N 0 1 261.369 2.840 20 30 CFEDMN C=C(C)CC[N@H+](C)Cc1ccc(OCC(=O)[O-])cc1 ZINC000652501945 413991767 /nfs/dbraw/zinc/99/17/67/413991767.db2.gz ANUIXFFXHDHMKK-UHFFFAOYSA-N 0 1 263.337 2.548 20 30 CFEDMN C=CCCn1cc(CN2CCC[C@@H](C3CCC3)C2)nn1 ZINC000662042422 414380431 /nfs/dbraw/zinc/38/04/31/414380431.db2.gz GGVJUHJWBKKTGZ-OAHLLOKOSA-N 0 1 274.412 2.866 20 30 CFEDMN C=CCCCC[C@@H](C)[NH2+]Cc1nnc([C@@H]2CCCO2)[n-]1 ZINC000655795765 414441027 /nfs/dbraw/zinc/44/10/27/414441027.db2.gz BEGPTEHUSGWVEQ-OLZOCXBDSA-N 0 1 278.400 2.881 20 30 CFEDMN C=C1C[C@H]2CC[C@@H](C1)N2CC(=O)Nc1ccc(Cl)cn1 ZINC000662085729 414401510 /nfs/dbraw/zinc/40/15/10/414401510.db2.gz JKVDYOKLCFEGOC-BETUJISGSA-N 0 1 291.782 2.857 20 30 CFEDMN C=CC[C@H]1CCCN(C(=O)[C@H]2Cc3ccccc3CN2)C1 ZINC000662857080 414622218 /nfs/dbraw/zinc/62/22/18/414622218.db2.gz CXENYHOJDUCCKJ-WMLDXEAASA-N 0 1 284.403 2.516 20 30 CFEDMN C=CCC[C@@H](O)C[N@H+]1[C@@H](C(=O)[O-])CC[C@H]1c1ccccc1 ZINC000659794821 414556485 /nfs/dbraw/zinc/55/64/85/414556485.db2.gz XQUPXGGEQSCOLK-OWCLPIDISA-N 0 1 289.375 2.604 20 30 CFEDMN C=C1C[C@H]2CC[C@@H](C1)[N@@H+]2[C@H](C(=O)[O-])c1ccccc1 ZINC000659802569 414560736 /nfs/dbraw/zinc/56/07/36/414560736.db2.gz YURPBZMZZHCNOG-ZNMIVQPWSA-N 0 1 257.333 2.995 20 30 CFEDMN C=CC[C@H]1CCCC[C@H]1NC(=O)c1coc(CN)c1 ZINC000662601415 414570414 /nfs/dbraw/zinc/57/04/14/414570414.db2.gz LIQAEOAENKBBCH-SMDDNHRTSA-N 0 1 262.353 2.603 20 30 CFEDMN C=CCCC(C)(C)NS(=O)(=O)c1c(F)cccc1F ZINC000660142921 414669065 /nfs/dbraw/zinc/66/90/65/414669065.db2.gz HUOHQYXPCQEMRI-UHFFFAOYSA-N 0 1 289.347 2.988 20 30 CFEDMN N#Cc1cccc(OCCCN2CCO[C@@H]3CCC[C@@H]32)c1 ZINC000043425358 175040148 /nfs/dbraw/zinc/04/01/48/175040148.db2.gz BEOQZUZUYUBYJM-DLBZAZTESA-N 0 1 286.375 2.580 20 30 CFEDMN C=C(Br)C[N@@H+]1CCc2ccccc2[C@@H]1C(=O)[O-] ZINC000043594336 175075542 /nfs/dbraw/zinc/07/55/42/175075542.db2.gz CTRNNTDKOJLYDK-GFCCVEGCSA-N 0 1 296.164 2.579 20 30 CFEDMN C=C(Br)C[N@H+]1CCc2ccccc2[C@@H]1C(=O)[O-] ZINC000043594336 175075544 /nfs/dbraw/zinc/07/55/44/175075544.db2.gz CTRNNTDKOJLYDK-GFCCVEGCSA-N 0 1 296.164 2.579 20 30 CFEDMN C[C@H](NC(=O)NCC[C@H]1CCC[C@@H](C)C1)c1nnc[nH]1 ZINC000329245859 227377701 /nfs/dbraw/zinc/37/77/01/227377701.db2.gz AKASEOUAAARFEV-GRYCIOLGSA-N 0 1 279.388 2.586 20 30 CFEDMN C[C@H](C#N)C(=O)Nc1ccc2nc([C@H]3CCCO3)[nH]c2c1 ZINC000347070050 226014300 /nfs/dbraw/zinc/01/43/00/226014300.db2.gz NTPLUUCZZQMQLN-NOZJJQNGSA-N 0 1 284.319 2.513 20 30 CFEDMN COc1ccc(CN2CCC(CCC#N)CC2)nc1 ZINC000575178100 335076048 /nfs/dbraw/zinc/07/60/48/335076048.db2.gz IQSALAQQECZITQ-UHFFFAOYSA-N 0 1 259.353 2.606 20 30 CFEDMN N#CCc1ccc(CN2CCOCC23CCC3)cc1 ZINC000334149856 227335579 /nfs/dbraw/zinc/33/55/79/227335579.db2.gz IEHRFODANPNHMZ-UHFFFAOYSA-N 0 1 256.349 2.508 20 30 CFEDMN CO[C@@H](C)CN(C)CC#Cc1ccccc1Cl ZINC000353206562 228068822 /nfs/dbraw/zinc/06/88/22/228068822.db2.gz WQAZWNKZNAXCTG-LBPRGKRZSA-N 0 1 251.757 2.658 20 30 CFEDMN NC(=O)C1(CNC(=O)[C@@H]2CCCN2C2CC2)CCCC1 ZINC000330245145 228077835 /nfs/dbraw/zinc/07/78/35/228077835.db2.gz XNCJKRWTUPEOIS-LBPRGKRZSA-N 0 1 279.384 2.665 20 30 CFEDMN Cc1ccc(CCCN(C[C@H](C)C#N)C2CC2)cn1 ZINC000353622849 228133822 /nfs/dbraw/zinc/13/38/22/228133822.db2.gz KOBZRAWKBRQLIF-CYBMUJFWSA-N 0 1 257.381 2.947 20 30 CFEDMN N#CC1(CN2CCC[C@H](c3nc(C4CC4)n[nH]3)C2)CCC1 ZINC000333635899 228207692 /nfs/dbraw/zinc/20/76/92/228207692.db2.gz BCISJHGDCZBSOC-ZDUSSCGKSA-N 0 1 285.395 2.555 20 30 CFEDMN C[C@@H](C(=O)NC1(C#N)CCCCC1)N1CCC(C)(C)CC1 ZINC000407998837 260162542 /nfs/dbraw/zinc/16/25/42/260162542.db2.gz SZDLPAJNVUEMLJ-AWEZNQCLSA-N 0 1 291.439 2.840 20 30 CFEDMN N#CC1(c2ccccc2)CC(NCc2ccco2)C1 ZINC000086035703 260206019 /nfs/dbraw/zinc/20/60/19/260206019.db2.gz XREYPHNXMKDIRR-UHFFFAOYSA-N 0 1 252.317 2.993 20 30 CFEDMN N#CCCN(CCC(=O)Nc1ccccc1)CC1CC1 ZINC000081044347 260329449 /nfs/dbraw/zinc/32/94/49/260329449.db2.gz MFEXJJHCNZHWEA-UHFFFAOYSA-N 0 1 271.364 2.641 20 30 CFEDMN CCC(CC)CN(CCC#N)C(=O)c1cc(C)[nH]n1 ZINC000104546625 260622921 /nfs/dbraw/zinc/62/29/21/260622921.db2.gz XTUWVDBDYUKRJB-UHFFFAOYSA-N 0 1 262.357 2.510 20 30 CFEDMN CN(C(=O)CCN(CCC#N)CC1CC1)c1ccccc1 ZINC000135119662 260917314 /nfs/dbraw/zinc/91/73/14/260917314.db2.gz KHHHVGKLYBUUKL-UHFFFAOYSA-N 0 1 285.391 2.665 20 30 CFEDMN C=CCCC(=O)Nc1nc(-c2ccc(C)cc2)n[nH]1 ZINC000102467285 261239118 /nfs/dbraw/zinc/23/91/18/261239118.db2.gz KXELSPBPAKXIIY-UHFFFAOYSA-N 0 1 256.309 2.685 20 30 CFEDMN C=CCC[C@H](O)CN1CCC[C@@H]1c1csc(C)n1 ZINC000249453453 261253025 /nfs/dbraw/zinc/25/30/25/261253025.db2.gz MXLZFLBMLBVFCS-GXTWGEPZSA-N 0 1 266.410 2.916 20 30 CFEDMN C=CCNC(=O)[C@@H](C)N1CC[C@@H](c2csc(C)c2)C1 ZINC000364342976 262211439 /nfs/dbraw/zinc/21/14/39/262211439.db2.gz WHAQJNTXPSLKMA-CHWSQXEVSA-N 0 1 278.421 2.537 20 30 CFEDMN C=CCNC(=O)[C@@H](C)N1CC[C@H](c2csc(C)c2)C1 ZINC000364342981 262211680 /nfs/dbraw/zinc/21/16/80/262211680.db2.gz WHAQJNTXPSLKMA-OLZOCXBDSA-N 0 1 278.421 2.537 20 30 CFEDMN C(#Cc1ccccc1)CN1CCC[C@@H](OCC2CC2)C1 ZINC000364587589 262254417 /nfs/dbraw/zinc/25/44/17/262254417.db2.gz DQXVNNIGCDEELH-GOSISDBHSA-N 0 1 269.388 2.929 20 30 CFEDMN C=CCc1cc(CN2CCOCC[C@H]2C)cc(OC)c1O ZINC000367710896 262265935 /nfs/dbraw/zinc/26/59/35/262265935.db2.gz WUOGKVZZWNZMFD-CYBMUJFWSA-N 0 1 291.391 2.740 20 30 CFEDMN CC(C)C1(C)CCN(CC(=O)N[C@](C)(C#N)C2CC2)CC1 ZINC000186196544 262311443 /nfs/dbraw/zinc/31/14/43/262311443.db2.gz BSRFEVUZXXGYBO-QGZVFWFLSA-N 0 1 291.439 2.553 20 30 CFEDMN CC(C)[C@H](CNC(=O)OC(C)(C)C)CN(C)C[C@H](C)C#N ZINC000496064601 262338725 /nfs/dbraw/zinc/33/87/25/262338725.db2.gz HBGYCSHEQWBPOJ-ZIAGYGMSSA-N 0 1 297.443 2.875 20 30 CFEDMN C(#Cc1ccccc1)CN1CCC(OC[C@H]2CCOC2)CC1 ZINC000365268627 262356872 /nfs/dbraw/zinc/35/68/72/262356872.db2.gz ZFMYBOHEDQGRBX-SFHVURJKSA-N 0 1 299.414 2.556 20 30 CFEDMN C[C@H](O)CCCN1CCC[C@H]1[C@H](C#N)c1ccccc1 ZINC000336829262 262398587 /nfs/dbraw/zinc/39/85/87/262398587.db2.gz CBNQIMIDDMYQTG-UAGQMJEPSA-N 0 1 272.392 2.919 20 30 CFEDMN C[C@H](O)CCCN1CCC[C@H]1[C@@H](C#N)c1ccccc1 ZINC000336829264 262398632 /nfs/dbraw/zinc/39/86/32/262398632.db2.gz CBNQIMIDDMYQTG-XIRDDKMYSA-N 0 1 272.392 2.919 20 30 CFEDMN CCC[C@@H](N[C@@H](C)CCC#N)c1nnc2ccccn21 ZINC000411516330 262697094 /nfs/dbraw/zinc/69/70/94/262697094.db2.gz XQNGXYTYXKXFCK-QWHCGFSZSA-N 0 1 271.368 2.852 20 30 CFEDMN N#C[C@@H](CCc1ccccc1)c1nc(C2(N)CCC2)no1 ZINC000414624910 263015131 /nfs/dbraw/zinc/01/51/31/263015131.db2.gz HMNFERHTZQZAPR-CYBMUJFWSA-N 0 1 282.347 2.647 20 30 CFEDMN N#CCSc1cccc(-c2nc(C3(N)CCC3)no2)c1 ZINC000414627196 263016176 /nfs/dbraw/zinc/01/61/76/263016176.db2.gz LKOTZPBMOFUERX-UHFFFAOYSA-N 0 1 286.360 2.690 20 30 CFEDMN CN(CCC#N)[C@H]1CCO[C@H](c2ccc(F)cc2)C1 ZINC000273368407 263016298 /nfs/dbraw/zinc/01/62/98/263016298.db2.gz BPJRREDNAGWEKJ-GJZGRUSLSA-N 0 1 262.328 2.891 20 30 CFEDMN C[C@H](CCC#N)N(C)Cc1cnn(-c2ccccc2)c1 ZINC000276322516 263036181 /nfs/dbraw/zinc/03/61/81/263036181.db2.gz PAIWVHAGKXBTNY-CQSZACIVSA-N 0 1 268.364 2.996 20 30 CFEDMN Cc1cc2[nH]ncc2cc1NC(=O)C1(C#N)CCC1 ZINC000276801229 263038185 /nfs/dbraw/zinc/03/81/85/263038185.db2.gz SDBBAWMHXZGBDX-UHFFFAOYSA-N 0 1 254.293 2.504 20 30 CFEDMN CC(C)c1cc(C(=O)N2CCCC(C)(C)[C@H]2C#N)n[nH]1 ZINC000277457959 263041277 /nfs/dbraw/zinc/04/12/77/263041277.db2.gz GRJTXFRCUVGRGB-CYBMUJFWSA-N 0 1 274.368 2.687 20 30 CFEDMN CC(C)(C)c1n[nH]c(S[C@H]2CC[C@H](C#N)C2)n1 ZINC000278662129 263049528 /nfs/dbraw/zinc/04/95/28/263049528.db2.gz XCKHYFXDDVBODT-IUCAKERBSA-N 0 1 250.371 2.887 20 30 CFEDMN CC(C)(C)c1nc(S[C@H]2CC[C@H](C#N)C2)n[nH]1 ZINC000278662129 263049529 /nfs/dbraw/zinc/04/95/29/263049529.db2.gz XCKHYFXDDVBODT-IUCAKERBSA-N 0 1 250.371 2.887 20 30 CFEDMN C[N@@H+](Cc1nc(=O)c2sccc2[n-]1)[C@H]1CC[C@H](C#N)C1 ZINC000278759491 263050720 /nfs/dbraw/zinc/05/07/20/263050720.db2.gz XTDDAXYBMSUVTB-UWVGGRQHSA-N 0 1 288.376 2.521 20 30 CFEDMN C[C@@H](C(=O)N(C)CCC#N)N1CCC=C(c2ccccc2)C1 ZINC000283998907 263085302 /nfs/dbraw/zinc/08/53/02/263085302.db2.gz DMOHGZPQQRUTFY-HNNXBMFYSA-N 0 1 297.402 2.536 20 30 CFEDMN CC(C)CCN(CCC#N)C[C@@H](O)Cc1ccc(F)cc1 ZINC000292902427 263136343 /nfs/dbraw/zinc/13/63/43/263136343.db2.gz WCQDMKGJMRAZII-KRWDZBQOSA-N 0 1 292.398 2.991 20 30 CFEDMN CCCCCCC[C@@H](C)N[C@H](C(N)=O)c1ccccn1 ZINC000295156409 263173406 /nfs/dbraw/zinc/17/34/06/263173406.db2.gz RRYAWVQKPMXACJ-HIFRSBDPSA-N 0 1 277.412 2.947 20 30 CFEDMN CN(CCCC#N)[C@@H](CO)c1ccc(Cl)cc1 ZINC000296426435 263191461 /nfs/dbraw/zinc/19/14/61/263191461.db2.gz VCDMFCGCBVPEON-ZDUSSCGKSA-N 0 1 252.745 2.609 20 30 CFEDMN C[C@H](CCC#N)Sc1nc(-c2cccnc2)n[nH]1 ZINC000298130201 263215111 /nfs/dbraw/zinc/21/51/11/263215111.db2.gz AMVSPNIQGFCPCI-SECBINFHSA-N 0 1 259.338 2.651 20 30 CFEDMN Oc1ccccc1/C=N/C1CCN(Cc2ccccn2)CC1 ZINC000298682586 263224154 /nfs/dbraw/zinc/22/41/54/263224154.db2.gz WPTYLACXIZIRMO-DEDYPNTBSA-N 0 1 295.386 2.871 20 30 CFEDMN Cc1nc2sccn2c1CN(C)[C@H](C)CCC#N ZINC000298723417 263224463 /nfs/dbraw/zinc/22/44/63/263224463.db2.gz UTLGGGDBRWQSIP-SNVBAGLBSA-N 0 1 262.382 2.828 20 30 CFEDMN Cc1nc2sccn2c1CN(C)[C@@H](C)CCC#N ZINC000298723412 263224603 /nfs/dbraw/zinc/22/46/03/263224603.db2.gz UTLGGGDBRWQSIP-JTQLQIEISA-N 0 1 262.382 2.828 20 30 CFEDMN Cc1ccccc1[C@@H](C)N(C)CC(=O)N[C@](C)(C#N)C1CC1 ZINC000298846637 263227199 /nfs/dbraw/zinc/22/71/99/263227199.db2.gz KGYPFHBSZQTHNR-RDTXWAMCSA-N 0 1 299.418 2.796 20 30 CFEDMN CC[C@](C)(COc1ncccc1Cl)NCCC#N ZINC000299710511 263253067 /nfs/dbraw/zinc/25/30/67/263253067.db2.gz QIFVGVPKCSHBBA-CYBMUJFWSA-N 0 1 267.760 2.786 20 30 CFEDMN CN(CC(C)(C)C#N)C(=O)[C@H]1CCCN1Cc1ccccc1 ZINC000353214392 263273684 /nfs/dbraw/zinc/27/36/84/263273684.db2.gz QYMBNDDQUVFXCY-MRXNPFEDSA-N 0 1 299.418 2.659 20 30 CFEDMN C#CCCN1CCN([C@@H](C)c2ccccc2F)CC1 ZINC000119931456 263279178 /nfs/dbraw/zinc/27/91/78/263279178.db2.gz DGFFJEOINZEULJ-AWEZNQCLSA-N 0 1 260.356 2.528 20 30 CFEDMN C=CC[N@@H+](C)CCc1ncc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000121634498 263296301 /nfs/dbraw/zinc/29/63/01/263296301.db2.gz YKXJHSMUEZHCSV-UHFFFAOYSA-N 0 1 287.319 2.910 20 30 CFEDMN C=CC[C@@H](CO)CNc1cc(C)nc2ccc(F)cc21 ZINC000340888092 263312155 /nfs/dbraw/zinc/31/21/55/263312155.db2.gz RSOLYPHKXTXSRF-GFCCVEGCSA-N 0 1 274.339 2.701 20 30 CFEDMN COCC1(C#N)CCN(Cc2cc(F)ccc2C)CC1 ZINC000341989623 263380851 /nfs/dbraw/zinc/38/08/51/263380851.db2.gz MDFGQFZKONWGBN-UHFFFAOYSA-N 0 1 276.355 2.886 20 30 CFEDMN COCC1(C#N)CCN(CCc2ccc(F)c(F)c2)CC1 ZINC000341990370 263382105 /nfs/dbraw/zinc/38/21/05/263382105.db2.gz MRNIKQFLCSJWDY-UHFFFAOYSA-N 0 1 294.345 2.759 20 30 CFEDMN O=C(N[C@H]1CC=CCC1)c1cc(O)cc([N+](=O)[O-])c1 ZINC000330785263 264053343 /nfs/dbraw/zinc/05/33/43/264053343.db2.gz TWKBJSJQGFRFPY-JTQLQIEISA-N 0 1 262.265 2.714 20 30 CFEDMN CCc1nnsc1C(=O)NCC[N@H+]1CCCC(C)(C)C1 ZINC000330961490 264088937 /nfs/dbraw/zinc/08/89/37/264088937.db2.gz JPVCYBDNCLWXIC-UHFFFAOYSA-N 0 1 296.440 2.527 20 30 CFEDMN CCc1nnsc1C(=O)NCCN1CCCC(C)(C)C1 ZINC000330961490 264088939 /nfs/dbraw/zinc/08/89/39/264088939.db2.gz JPVCYBDNCLWXIC-UHFFFAOYSA-N 0 1 296.440 2.527 20 30 CFEDMN C=CCn1cc(CNC[C@@H](C)c2cc(F)cc(F)c2)nn1 ZINC000425356710 264130125 /nfs/dbraw/zinc/13/01/25/264130125.db2.gz QOFQNNXMRDFRLK-LLVKDONJSA-N 0 1 292.333 2.636 20 30 CFEDMN CC(C)[C@H](NC(=O)c1cccc2nc[nH]c21)C(C)(C)O ZINC000331136531 264135323 /nfs/dbraw/zinc/13/53/23/264135323.db2.gz SCULPIVRVVVLMB-ZDUSSCGKSA-N 0 1 275.352 2.663 20 30 CFEDMN CC1(C)CC[C@@H](CNC(=O)c2cc(O)cc([N+](=O)[O-])c2)O1 ZINC000331194933 264158870 /nfs/dbraw/zinc/15/88/70/264158870.db2.gz RMGIALNWYWJXER-LBPRGKRZSA-N 0 1 294.307 2.563 20 30 CFEDMN C=CC[C@@H](CC)NC(=O)N1CCC[C@H](c2cc(C)[nH]n2)C1 ZINC000333976002 264226428 /nfs/dbraw/zinc/22/64/28/264226428.db2.gz IGQDAUSOOPYNLK-UONOGXRCSA-N 0 1 290.411 2.962 20 30 CFEDMN C=CCCCN(C)[C@H](C(=O)NC1CC1)c1ccccc1 ZINC000076736185 264343842 /nfs/dbraw/zinc/34/38/42/264343842.db2.gz QSEOXBQDDRLVIS-INIZCTEOSA-N 0 1 272.392 2.904 20 30 CFEDMN COC(=O)c1cnc([C@H](C)NCCCC(C)(C)C#N)s1 ZINC000425492977 264360207 /nfs/dbraw/zinc/36/02/07/264360207.db2.gz UNRJWGAFTYSKOR-JTQLQIEISA-N 0 1 295.408 2.910 20 30 CFEDMN C=CCNC(=O)[C@@H](C)N(CC)Cc1c[nH]c2ccccc12 ZINC000190504760 264369067 /nfs/dbraw/zinc/36/90/67/264369067.db2.gz FWRNTDLDXHEOJB-CYBMUJFWSA-N 0 1 285.391 2.681 20 30 CFEDMN N#CCCC1CCN(Cc2ccc(C#N)cc2[N+](=O)[O-])CC1 ZINC000518986395 265280730 /nfs/dbraw/zinc/28/07/30/265280730.db2.gz MLMKKEINSIDXOH-UHFFFAOYSA-N 0 1 298.346 2.982 20 30 CFEDMN Cc1cccc2nc(CCC(=O)N(C)CC(C)(C)C#N)[nH]c21 ZINC000353266326 266036975 /nfs/dbraw/zinc/03/69/75/266036975.db2.gz STLPJRDAUUYVCD-UHFFFAOYSA-N 0 1 298.390 2.812 20 30 CFEDMN C=CCCC1(C(=O)Nc2cc(CN(C)C)ccn2)CC1 ZINC000356293322 266090113 /nfs/dbraw/zinc/09/01/13/266090113.db2.gz CIINRINSYQLTJO-UHFFFAOYSA-N 0 1 273.380 2.828 20 30 CFEDMN C=CCCCC(=O)N[C@@H](Cc1nc[nH]n1)c1ccccc1 ZINC000356559218 266137331 /nfs/dbraw/zinc/13/73/31/266137331.db2.gz WSSUYZXTWXMAHN-AWEZNQCLSA-N 0 1 284.363 2.561 20 30 CFEDMN C=CCCC1(C(=O)N[C@@H](C)c2n[nH]c(C(C)C)n2)CC1 ZINC000356596576 266145631 /nfs/dbraw/zinc/14/56/31/266145631.db2.gz MTNCZGPECWMFFS-NSHDSACASA-N 0 1 276.384 2.852 20 30 CFEDMN C=CCCC1(C(=O)Nc2nc(C3CCC3)n[nH]2)CC1 ZINC000356764949 266171545 /nfs/dbraw/zinc/17/15/45/266171545.db2.gz REAVYCMOQYJMIP-UHFFFAOYSA-N 0 1 260.341 2.757 20 30 CFEDMN C=CCCC1(C(=O)Nc2n[nH]c(C3CCC3)n2)CC1 ZINC000356764949 266171548 /nfs/dbraw/zinc/17/15/48/266171548.db2.gz REAVYCMOQYJMIP-UHFFFAOYSA-N 0 1 260.341 2.757 20 30 CFEDMN C=CCN(C(=O)NC[C@@H](c1ccsc1)N(C)C)C1CC1 ZINC000357571345 266328458 /nfs/dbraw/zinc/32/84/58/266328458.db2.gz PTVWTCOHUHNPDQ-AWEZNQCLSA-N 0 1 293.436 2.711 20 30 CFEDMN C=C[C@H](C)NC(=O)[C@H](c1ccccc1)N(CC)CC ZINC000362603565 267019653 /nfs/dbraw/zinc/01/96/53/267019653.db2.gz YQJUMRQRQCCOAO-ZFWWWQNUSA-N 0 1 260.381 2.760 20 30 CFEDMN C=CCSc1ccccc1C(=O)NCc1cnc[nH]1 ZINC000362746204 267041155 /nfs/dbraw/zinc/04/11/55/267041155.db2.gz GVWBGRBFNUSRTB-UHFFFAOYSA-N 0 1 273.361 2.618 20 30 CFEDMN CCCCCCCC(=O)N[C@H]1CCc2nc[nH]c2C1 ZINC000363037952 267073338 /nfs/dbraw/zinc/07/33/38/267073338.db2.gz QLQVYZLQSIRFTF-LBPRGKRZSA-N 0 1 263.385 2.744 20 30 CFEDMN CCCCCCCC(=O)N[C@@H]1CCc2nc[nH]c2C1 ZINC000363037951 267073684 /nfs/dbraw/zinc/07/36/84/267073684.db2.gz QLQVYZLQSIRFTF-GFCCVEGCSA-N 0 1 263.385 2.744 20 30 CFEDMN C#Cc1ccc(CN2CC[C@H](n3cc(Cl)cn3)C2)cc1 ZINC000368126278 267146708 /nfs/dbraw/zinc/14/67/08/267146708.db2.gz RQWNVHPAOUNMBG-INIZCTEOSA-N 0 1 285.778 2.965 20 30 CFEDMN C#CCN[C@@H](c1ccc(OC)cc1)c1ccc2c(c1)CCO2 ZINC000368766959 267202400 /nfs/dbraw/zinc/20/24/00/267202400.db2.gz VVNWDURKOTYMON-IBGZPJMESA-N 0 1 293.366 2.942 20 30 CFEDMN Fc1ccc(C#CCN2CCC(c3cn[nH]c3)CC2)cc1 ZINC000369425098 267241607 /nfs/dbraw/zinc/24/16/07/267241607.db2.gz JHDUSWPQAMYTSW-UHFFFAOYSA-N 0 1 283.350 2.780 20 30 CFEDMN CC(C)(O)[C@H]1CCCN1CC#Cc1ccccc1Cl ZINC000119171305 267305071 /nfs/dbraw/zinc/30/50/71/267305071.db2.gz VIKQSMBLLGVXIC-OAHLLOKOSA-N 0 1 277.795 2.927 20 30 CFEDMN N#CCCN(C(=O)CN1CCC2(CC2)CC1)c1ccccc1 ZINC000370270816 267306068 /nfs/dbraw/zinc/30/60/68/267306068.db2.gz MUXMBBPPTCAPKG-UHFFFAOYSA-N 0 1 297.402 2.809 20 30 CFEDMN C=CCC[C@H](O)C[N@@H+]1CCC[C@@H](c2ccnc(CC)n2)C1 ZINC000370504693 267325453 /nfs/dbraw/zinc/32/54/53/267325453.db2.gz LAJORNPQUQJWBG-CABCVRRESA-N 0 1 289.423 2.546 20 30 CFEDMN CC[C@@H](C#N)NC(=O)[C@@H]1CCCCN1Cc1cccc(C)c1 ZINC000371164603 267356766 /nfs/dbraw/zinc/35/67/66/267356766.db2.gz OXIORPRLSRSLHV-IRXDYDNUSA-N 0 1 299.418 2.768 20 30 CFEDMN N#Cc1cc(NCC2(C#N)CCC2)nc2ccccc12 ZINC000419025091 268171580 /nfs/dbraw/zinc/17/15/80/268171580.db2.gz RWAISHWQCAYCGO-UHFFFAOYSA-N 0 1 262.316 2.634 20 30 CFEDMN CO[C@@H]1CCN(CC#Cc2ccccc2)CC1(C)C ZINC000295881045 274063937 /nfs/dbraw/zinc/06/39/37/274063937.db2.gz GEAABNXNFIVNNO-MRXNPFEDSA-N 0 1 257.377 2.785 20 30 CFEDMN C[C@@H]1CN(C)CCN1c1ccc(C#N)c(C(F)(F)F)c1 ZINC000227537859 274333762 /nfs/dbraw/zinc/33/37/62/274333762.db2.gz GBTWZAMMOYRZMG-SNVBAGLBSA-N 0 1 283.297 2.717 20 30 CFEDMN C[C@H]1CN(c2c(C#N)cnc3ccccc32)C[C@H](C)N1C ZINC000135266474 274591086 /nfs/dbraw/zinc/59/10/86/274591086.db2.gz ZIGXNIBDDYSBBG-STQMWFEESA-N 0 1 280.375 2.635 20 30 CFEDMN Cc1c(Cl)cnc(N2CCN(C3CCC3)CC2)c1C#N ZINC000273312477 274662845 /nfs/dbraw/zinc/66/28/45/274662845.db2.gz ITJZRCYBYFWSNQ-UHFFFAOYSA-N 0 1 290.798 2.590 20 30 CFEDMN N#Cc1cc(Cl)ccc1N1CCN(C2CCC2)CC1 ZINC000264938913 274919317 /nfs/dbraw/zinc/91/93/17/274919317.db2.gz HMDYRCAVEHOYFN-UHFFFAOYSA-N 0 1 275.783 2.886 20 30 CFEDMN OC[C@H]1CCCCN1CC#Cc1ccc(Cl)cc1 ZINC000159797588 275049822 /nfs/dbraw/zinc/04/98/22/275049822.db2.gz ZCNUNEQZRALBCJ-OAHLLOKOSA-N 0 1 263.768 2.538 20 30 CFEDMN C=C(Br)CN[C@@H]1CCN(C)[C@@H]1c1ccccc1 ZINC000284236851 276855397 /nfs/dbraw/zinc/85/53/97/276855397.db2.gz KPYGWWLCPRVSAZ-ZIAGYGMSSA-N 0 1 295.224 2.930 20 30 CFEDMN C=C(Cl)CN[C@@H](C)[C@@H](c1ccccc1)N1CCOCC1 ZINC000271967949 277811588 /nfs/dbraw/zinc/81/15/88/277811588.db2.gz WDBSKQMZHCSQIH-HOCLYGCPSA-N 0 1 294.826 2.791 20 30 CFEDMN C[C@@H]1CN(c2cccc(Cl)c2C#N)C[C@@H](C)N1C ZINC000126714855 278805579 /nfs/dbraw/zinc/80/55/79/278805579.db2.gz PVESXGHTABJZAM-GHMZBOCLSA-N 0 1 263.772 2.740 20 30 CFEDMN Cc1c(Cl)cnc(N2CCN(C)C[C@@H]2C(C)C)c1C#N ZINC000343431757 280234350 /nfs/dbraw/zinc/23/43/50/280234350.db2.gz GYZJWMYJRMHUPB-CQSZACIVSA-N 0 1 292.814 2.692 20 30 CFEDMN CC(C)(C)C1CCN(CC(=O)N[C@@](C)(C#N)C2CC2)CC1 ZINC000172032681 335090245 /nfs/dbraw/zinc/09/02/45/335090245.db2.gz YNVGKBQWDHLCKS-KRWDZBQOSA-N 0 1 291.439 2.553 20 30 CFEDMN Cc1cc(C)n2c(CNCc3cccc(C#N)c3)cnc2n1 ZINC000155788413 289926030 /nfs/dbraw/zinc/92/60/30/289926030.db2.gz ANSQSPXYQSXREQ-UHFFFAOYSA-N 0 1 291.358 2.508 20 30 CFEDMN CC(C)c1nc(CN2CCCc3cc(C#N)ccc32)n[nH]1 ZINC000565170650 290275722 /nfs/dbraw/zinc/27/57/22/290275722.db2.gz JLNANMDCOWKTJX-UHFFFAOYSA-N 0 1 281.363 2.753 20 30 CFEDMN O=C(NC1CCC(F)(F)CC1)N1CC[C@H](n2cccn2)C1 ZINC000329802720 295376717 /nfs/dbraw/zinc/37/67/17/295376717.db2.gz JKMTWBWWHBJQNO-LBPRGKRZSA-N 0 1 298.337 2.622 20 30 CFEDMN N#Cc1ccc(C[N@@H+]2[C@@H]3CCCC[C@H]3C[C@H]2C(=O)[O-])cc1 ZINC000250244636 303190954 /nfs/dbraw/zinc/19/09/54/303190954.db2.gz JRFQEPHOGLRHHK-XHSDSOJGSA-N 0 1 284.359 2.776 20 30 CFEDMN N#Cc1csc(C[N@H+]2[C@H](C(=O)[O-])C[C@H]3CCCC[C@@H]32)c1 ZINC000263505923 303214848 /nfs/dbraw/zinc/21/48/48/303214848.db2.gz MBVANQYGPXKZRW-XBFCOCLRSA-N 0 1 290.388 2.837 20 30 CFEDMN C=CCCN1CC[C@@H]1CN(C)C(=O)c1ccc(Cl)o1 ZINC001085487563 782080297 /nfs/dbraw/zinc/08/02/97/782080297.db2.gz CCIGBYHDGPRXRV-LLVKDONJSA-N 0 1 282.771 2.655 20 30 CFEDMN C[C@@H](c1nccs1)N1CCN(CCCCC#N)CC1 ZINC000184601396 327830821 /nfs/dbraw/zinc/83/08/21/327830821.db2.gz YWIYGHUJGPSZNO-ZDUSSCGKSA-N 0 1 278.425 2.516 20 30 CFEDMN CC(C)c1ccc(C(=O)NC2(C#N)CCN(C)CC2)cc1 ZINC000040221800 327897986 /nfs/dbraw/zinc/89/79/86/327897986.db2.gz RFDDDJKEUAGFPX-UHFFFAOYSA-N 0 1 285.391 2.528 20 30 CFEDMN N#CCCN(Cc1cccnc1)Cc1ccc2nc[nH]c2c1 ZINC000534327218 328045948 /nfs/dbraw/zinc/04/59/48/328045948.db2.gz FYGRICVEWNKWII-UHFFFAOYSA-N 0 1 291.358 2.874 20 30 CFEDMN C=C(C)CN(Cc1ccccc1)C(=O)[C@@H](C)N1CC(C)C1 ZINC000563393662 328061527 /nfs/dbraw/zinc/06/15/27/328061527.db2.gz WZLUUDXDVBMKIF-MRXNPFEDSA-N 0 1 286.419 2.932 20 30 CFEDMN N#CCC[C@H](C#N)CNCCc1cccc(C(F)(F)F)n1 ZINC000563619640 328077485 /nfs/dbraw/zinc/07/74/85/328077485.db2.gz RJROBRVIINTWJY-LLVKDONJSA-N 0 1 296.296 2.676 20 30 CFEDMN CC[C@@H]1COCCN1CCC1(C#N)CCCCC1 ZINC000411270534 328081665 /nfs/dbraw/zinc/08/16/65/328081665.db2.gz JPHOVJXTRNPHSM-CQSZACIVSA-N 0 1 250.386 2.961 20 30 CFEDMN O=C1CCCN1[C@@H]1CCCN(CC#Cc2ccccc2)CC1 ZINC000412054146 328101510 /nfs/dbraw/zinc/10/15/10/328101510.db2.gz HNWCXKCLUOAKEW-GOSISDBHSA-N 0 1 296.414 2.515 20 30 CFEDMN C[C@H](Cc1cnc[nH]1)C(=O)N[C@H](CCC#N)c1ccccc1 ZINC000571343448 328113306 /nfs/dbraw/zinc/11/33/06/328113306.db2.gz YYNKTURCBACSMF-CZUORRHYSA-N 0 1 296.374 2.750 20 30 CFEDMN N#C[C@@H]1CC[C@@H](N2CCN(c3ccc(Cl)cn3)CC2)C1 ZINC000278649192 328229254 /nfs/dbraw/zinc/22/92/54/328229254.db2.gz PQMLLPBYCZLMMY-TZMCWYRMSA-N 0 1 290.798 2.549 20 30 CFEDMN CN(Cc1ccccc1[N+](=O)[O-])[C@@H]1CC[C@H](C#N)C1 ZINC000278616688 328228397 /nfs/dbraw/zinc/22/83/97/328228397.db2.gz NAVNLXXZEHBVOG-WCQYABFASA-N 0 1 259.309 2.719 20 30 CFEDMN CCOc1ccccc1N1CCN([C@@H]2CC[C@H](C#N)C2)CC1 ZINC000278629927 328229000 /nfs/dbraw/zinc/22/90/00/328229000.db2.gz OBJMSYNLCWHPCQ-JKSUJKDBSA-N 0 1 299.418 2.900 20 30 CFEDMN Cc1nc2cccc(C(=O)NC3(C#N)CCCCC3)c2[nH]1 ZINC000283536926 328244358 /nfs/dbraw/zinc/24/43/58/328244358.db2.gz RYXJNSCFXCOLOE-UHFFFAOYSA-N 0 1 282.347 2.828 20 30 CFEDMN N#CCC[C@H](C#N)CN1CCCN2c3ccccc3C[C@@H]2C1 ZINC000289541704 328255039 /nfs/dbraw/zinc/25/50/39/328255039.db2.gz SZUFZYNYKFYDMR-NVXWUHKLSA-N 0 1 294.402 2.567 20 30 CFEDMN N#CCC[C@@H](C#N)CN1CCCN2c3ccccc3C[C@H]2C1 ZINC000289541707 328255209 /nfs/dbraw/zinc/25/52/09/328255209.db2.gz SZUFZYNYKFYDMR-RDJZCZTQSA-N 0 1 294.402 2.567 20 30 CFEDMN COc1c(C)cnc(CN(C)[C@@H]2CC[C@H](C#N)C2)c1C ZINC000295056331 328284516 /nfs/dbraw/zinc/28/45/16/328284516.db2.gz BKYKZFUTCVTKKI-UONOGXRCSA-N 0 1 273.380 2.831 20 30 CFEDMN C=C(C)CN1CC[C@H]1CN(C)C(=O)c1cscc1C ZINC001085531317 782089194 /nfs/dbraw/zinc/08/91/94/782089194.db2.gz QCQCBWIFSRIGQH-ZDUSSCGKSA-N 0 1 278.421 2.779 20 30 CFEDMN C=C(C)CN1CC[C@@H]1CN(C)C(=O)C1C(C)(C)C1(C)C ZINC001085536890 782091324 /nfs/dbraw/zinc/09/13/24/782091324.db2.gz LRBXZXWIGIHIAB-CYBMUJFWSA-N 0 1 278.440 2.777 20 30 CFEDMN C[C@H](O)C1CCN(CC#Cc2cccc(Cl)c2)CC1 ZINC000119624377 328307041 /nfs/dbraw/zinc/30/70/41/328307041.db2.gz QOJHMDHYDLJQFO-ZDUSSCGKSA-N 0 1 277.795 2.784 20 30 CFEDMN CN(Cc1cccc(C#N)c1)C(=O)c1c(O)cccc1F ZINC000163786326 322378756 /nfs/dbraw/zinc/37/87/56/322378756.db2.gz UHLNMNUMTRHMSF-UHFFFAOYSA-N 0 1 284.290 2.675 20 30 CFEDMN CCn1nnc(C)c1CN[C@@H]1CCCc2cc(C#N)ccc21 ZINC000569440755 322472773 /nfs/dbraw/zinc/47/27/73/322472773.db2.gz HAVHECUJLSFOOY-MRXNPFEDSA-N 0 1 295.390 2.645 20 30 CFEDMN C#CCN1CCC(C(=O)N(c2ccccc2)C(C)C)CC1 ZINC000122546424 328396778 /nfs/dbraw/zinc/39/67/78/328396778.db2.gz LTXKABYJPONIHT-UHFFFAOYSA-N 0 1 284.403 2.773 20 30 CFEDMN C[C@@H](COc1ccc(F)cc1F)NCc1ccc(C#N)o1 ZINC000174302350 323646532 /nfs/dbraw/zinc/64/65/32/323646532.db2.gz IITIHXRXRJMDTK-JTQLQIEISA-N 0 1 292.285 2.987 20 30 CFEDMN Cc1ccc(F)c(NC(=O)c2ccc(C#N)c(O)c2)c1 ZINC000188234463 324010894 /nfs/dbraw/zinc/01/08/94/324010894.db2.gz DXPLAWIRZBIMFS-UHFFFAOYSA-N 0 1 270.263 2.964 20 30 CFEDMN Cc1cccc(N(C)C(=O)c2ccc(C#N)c(O)c2)c1 ZINC000188491651 324015635 /nfs/dbraw/zinc/01/56/35/324015635.db2.gz AIXZTMPTLMJPAX-UHFFFAOYSA-N 0 1 266.300 2.849 20 30 CFEDMN C[C@H]1CC(O)C[C@H](C)N1CC#Cc1ccc(Cl)cc1 ZINC000191187811 328501502 /nfs/dbraw/zinc/50/15/02/328501502.db2.gz NIABHMTXUZCQOR-STQMWFEESA-N 0 1 277.795 2.925 20 30 CFEDMN CN(Cc1ccc(C#N)cn1)[C@@H](CCO)c1ccccc1 ZINC000584068203 325329228 /nfs/dbraw/zinc/32/92/28/325329228.db2.gz ZRVTVYSUNUNVNV-KRWDZBQOSA-N 0 1 281.359 2.509 20 30 CFEDMN CCN(CC)[C@@H](CNC[C@H](C#N)CCC#N)c1ccco1 ZINC000564847498 327011755 /nfs/dbraw/zinc/01/17/55/327011755.db2.gz OEPMGYIQXREXSP-GJZGRUSLSA-N 0 1 288.395 2.696 20 30 CFEDMN C[C@H](C#N)CNC[C@@H](O)CO[C@@H](C)c1ccc(Cl)cc1 ZINC000573083768 327090010 /nfs/dbraw/zinc/09/00/10/327090010.db2.gz FOOPFJAWJMQYKA-TYNCELHUSA-N 0 1 296.798 2.528 20 30 CFEDMN C[C@@H](OC[C@@H](O)CNC[C@H](C)C#N)c1ccc(Cl)cc1 ZINC000573083746 327090042 /nfs/dbraw/zinc/09/00/42/327090042.db2.gz FOOPFJAWJMQYKA-JMSVASOKSA-N 0 1 296.798 2.528 20 30 CFEDMN CC#CCN(C)C[C@H](OC)c1ccc(Cl)cc1 ZINC000559467015 327246888 /nfs/dbraw/zinc/24/68/88/327246888.db2.gz CZMYZCPCYFKFOI-AWEZNQCLSA-N 0 1 251.757 2.983 20 30 CFEDMN C=CCN(CCc1ccco1)[C@H]1CCCN(C(C)C)C1=O ZINC000560032993 327278953 /nfs/dbraw/zinc/27/89/53/327278953.db2.gz VIWVQJHLWKXROF-INIZCTEOSA-N 0 1 290.407 2.710 20 30 CFEDMN C#CCN1CCC(C(=O)N2CCCCC[C@H]2CC)CC1 ZINC000155765182 327396244 /nfs/dbraw/zinc/39/62/44/327396244.db2.gz PVIVNPSZNXYIEX-MRXNPFEDSA-N 0 1 276.424 2.513 20 30 CFEDMN C[C@H](C#N)CN[C@@H](C)[C@@H]1CCCCN1C(=O)OC(C)(C)C ZINC000395259328 328734079 /nfs/dbraw/zinc/73/40/79/328734079.db2.gz WUOXWWDYXPRMLE-RDBSUJKOSA-N 0 1 295.427 2.914 20 30 CFEDMN CO[C@@H](CN1CCC(F)(C#N)CC1)c1ccccc1 ZINC000352456828 328751630 /nfs/dbraw/zinc/75/16/30/328751630.db2.gz BATNCCQSDMJXFV-AWEZNQCLSA-N 0 1 262.328 2.702 20 30 CFEDMN C#Cc1ccc(CN2C[C@H](C)O[C@]3(CCO[C@@H](C)C3)C2)cc1 ZINC000377710071 329026204 /nfs/dbraw/zinc/02/62/04/329026204.db2.gz ZYMKSTLXKWAIPN-BXWFABGCSA-N 0 1 299.414 2.826 20 30 CFEDMN N#CC[C@@H]1CC[C@H](N[C@@H](c2cn[nH]n2)c2ccc(F)cc2)C1 ZINC000582647899 329124544 /nfs/dbraw/zinc/12/45/44/329124544.db2.gz JKQHFXGBQJKZMA-HZUKXOBISA-N 0 1 299.353 2.705 20 30 CFEDMN C=CCNC(=O)CN1C[C@H](C)C[C@H]1c1cccc(F)c1 ZINC000173923167 329150974 /nfs/dbraw/zinc/15/09/74/329150974.db2.gz LCJRJWJYNVKGDN-DOMZBBRYSA-N 0 1 276.355 2.511 20 30 CFEDMN C=CCCCC(=O)NC[C@H](C(CC)CC)N1CCOCC1 ZINC000175193112 329166179 /nfs/dbraw/zinc/16/61/79/329166179.db2.gz AJPQNXASXCKGCK-MRXNPFEDSA-N 0 1 296.455 2.596 20 30 CFEDMN C=CCN(CC=C)C(=O)CN1C[C@@H](C)[C@H]1c1ccccc1 ZINC000177825132 329187418 /nfs/dbraw/zinc/18/74/18/329187418.db2.gz KBWOLNZSMIFNAY-QAPCUYQASA-N 0 1 284.403 2.880 20 30 CFEDMN C=C(C)CN(C)[C@@H](C)C(=O)N[C@H]1CCOc2ccccc21 ZINC000181309549 329230752 /nfs/dbraw/zinc/23/07/52/329230752.db2.gz PUSKITJCFFKNAF-ZFWWWQNUSA-N 0 1 288.391 2.523 20 30 CFEDMN C=CC[C@H](CO)NCc1ncc(-c2ccccc2)s1 ZINC000184284045 329258805 /nfs/dbraw/zinc/25/88/05/329258805.db2.gz FEDQQHCPLXDTAI-CYBMUJFWSA-N 0 1 274.389 2.837 20 30 CFEDMN C#CCN1CCC(c2nc3cccc(C)c3o2)CC1 ZINC000189816171 329389200 /nfs/dbraw/zinc/38/92/00/329389200.db2.gz AVYOGVBMJSADFE-UHFFFAOYSA-N 0 1 254.333 2.949 20 30 CFEDMN CCCN(CCCCC(C)(C)C#N)CC(=O)OC ZINC000233041889 329392963 /nfs/dbraw/zinc/39/29/63/329392963.db2.gz HVNSVBQAULMGSW-UHFFFAOYSA-N 0 1 254.374 2.591 20 30 CFEDMN Cc1cnc([C@@H](C)CNC[C@H](C#N)CCC#N)s1 ZINC000583290659 329434767 /nfs/dbraw/zinc/43/47/67/329434767.db2.gz GAZJISBVTIIGLY-JQWIXIFHSA-N 0 1 262.382 2.588 20 30 CFEDMN N#CC1(c2ccccn2)CCN(CCOCC2CCC2)CC1 ZINC000583861852 329510216 /nfs/dbraw/zinc/51/02/16/329510216.db2.gz FDEHFEZRCWMYNU-UHFFFAOYSA-N 0 1 299.418 2.755 20 30 CFEDMN CC[C@@H](C)NC(=O)[C@@H](C)NC1CC(C#N)(c2ccccc2)C1 ZINC000126404613 329592083 /nfs/dbraw/zinc/59/20/83/329592083.db2.gz ITHQFXKJGIEDHK-PYORFJLXSA-N 0 1 299.418 2.503 20 30 CFEDMN C=C(C)C[C@H](C)C(=O)N1CCNC[C@@H]1c1ccccc1 ZINC000571814896 329922746 /nfs/dbraw/zinc/92/27/46/329922746.db2.gz FOAAHCGWPFSOQP-GOEBONIOSA-N 0 1 272.392 2.762 20 30 CFEDMN COc1cccc([C@H]2C[C@H](NC[C@@H](C#N)CCC#N)C2)c1 ZINC000572264715 329962777 /nfs/dbraw/zinc/96/27/77/329962777.db2.gz KSPSJPTYDJJDLD-FVQBIDKESA-N 0 1 283.375 2.974 20 30 CFEDMN N#CC1(NC(=O)c2cccc(C(F)(F)F)c2O)CCC1 ZINC000572301600 329971156 /nfs/dbraw/zinc/97/11/56/329971156.db2.gz JTBZSMDKDSLOAC-UHFFFAOYSA-N 0 1 284.237 2.587 20 30 CFEDMN C#CCN(Cc1cccc(C(=O)NCC(C)C)c1)C1CC1 ZINC000274201544 330104242 /nfs/dbraw/zinc/10/42/42/330104242.db2.gz RQPUUYKVJZSRKM-UHFFFAOYSA-N 0 1 284.403 2.670 20 30 CFEDMN C=CCOc1ccc(C[N@@H+]2C[C@@H](C(=O)[O-])CC[C@@H]2C)cc1 ZINC000422639945 330150594 /nfs/dbraw/zinc/15/05/94/330150594.db2.gz YJGRZTZXLJUYTI-ZFWWWQNUSA-N 0 1 289.375 2.937 20 30 CFEDMN C[C@@H](N[C@@H]1CC[C@H](C#N)C1)c1nc2ccccc2n1C ZINC000424330141 330342217 /nfs/dbraw/zinc/34/22/17/330342217.db2.gz QIOZTJBLQVPZPH-FRRDWIJNSA-N 0 1 268.364 2.916 20 30 CFEDMN N#C[C@@H]1CC[C@@H](NCC(=O)Nc2ccc(Cl)cc2)C1 ZINC000442781768 330782619 /nfs/dbraw/zinc/78/26/19/330782619.db2.gz QAOGOHFKOQSNJB-ZWNOBZJWSA-N 0 1 277.755 2.560 20 30 CFEDMN N#C[C@@H]1CC[C@@H](NCc2cccc(C(F)(F)F)n2)C1 ZINC000449403645 330922838 /nfs/dbraw/zinc/92/28/38/330922838.db2.gz XGMQUGNIDHNVMT-NXEZZACHSA-N 0 1 269.270 2.882 20 30 CFEDMN C=CC[C@@H](C)[C@H](C)NCc1nn(C)cc1Br ZINC000449483718 330929693 /nfs/dbraw/zinc/92/96/93/330929693.db2.gz JZTJLDLIVZHJGM-ZJUUUORDSA-N 0 1 286.217 2.873 20 30 CFEDMN C=C[C@@H]1OCC[C@H]1NCc1nc2cc(Cl)ccc2n1C ZINC000449516959 330932831 /nfs/dbraw/zinc/93/28/31/330932831.db2.gz DBFDKIXQMJXIFQ-RISCZKNCSA-N 0 1 291.782 2.660 20 30 CFEDMN CC(C)COC1CCN(CC2(C#N)CCC2)CC1 ZINC000450278124 330970298 /nfs/dbraw/zinc/97/02/98/330970298.db2.gz OYQJAWXTHYTZJK-UHFFFAOYSA-N 0 1 250.386 2.817 20 30 CFEDMN C[C@H](NCC1(C#N)CCC1)[C@@H]1COc2ccccc21 ZINC000450740027 330997091 /nfs/dbraw/zinc/99/70/91/330997091.db2.gz SLIQQMXCUJLADL-JSGCOSHPSA-N 0 1 256.349 2.835 20 30 CFEDMN C=C(C)[C@@H](NC[C@@](C)(O)C(C)=O)c1ccc(F)c(F)c1 ZINC000450779241 330999376 /nfs/dbraw/zinc/99/93/76/330999376.db2.gz OMASFIKXGRHEPO-HUUCEWRRSA-N 0 1 283.318 2.512 20 30 CFEDMN C=CCN1C(=O)N=NC1SC[C@@H]1CCCC1(F)F ZINC000450865156 331003653 /nfs/dbraw/zinc/00/36/53/331003653.db2.gz CRUWZSUBMGNPCW-QMMMGPOBSA-N 0 1 275.324 2.697 20 30 CFEDMN CC[C@@H]1[C@@H](CO)CCN1CC#Cc1ccccc1Cl ZINC000451253520 331022029 /nfs/dbraw/zinc/02/20/29/331022029.db2.gz JUPLUFNBBOZTKR-GDBMZVCRSA-N 0 1 277.795 2.784 20 30 CFEDMN CCO[C@H]1CCN(CC#Cc2ccccc2)C[C@H]1C ZINC000451523132 331032377 /nfs/dbraw/zinc/03/23/77/331032377.db2.gz CKVGSYJOUMZACM-WBVHZDCISA-N 0 1 257.377 2.785 20 30 CFEDMN C=C[C@@H]1OCC[C@H]1NCc1cc(-c2cccs2)on1 ZINC000451596041 331035551 /nfs/dbraw/zinc/03/55/51/331035551.db2.gz FFHXMMCHTYKVCZ-NEPJUHHUSA-N 0 1 276.361 2.836 20 30 CFEDMN C(#Cc1ccccc1)CN1CCSC[C@H]1C1CC1 ZINC000451653344 331037959 /nfs/dbraw/zinc/03/79/59/331037959.db2.gz MJWJWDUVVDMLKI-INIZCTEOSA-N 0 1 257.402 2.866 20 30 CFEDMN C=C[C@@H]1OCCC[C@H]1NCc1nc2ccccc2o1 ZINC000451678144 331038736 /nfs/dbraw/zinc/03/87/36/331038736.db2.gz WEEYCTZOLGAMRK-YPMHNXCESA-N 0 1 258.321 2.651 20 30 CFEDMN C=CC(C)(C)CNC(=O)[C@@H]1CCc2[nH]c(C(C)C)nc2C1 ZINC000452772477 331075777 /nfs/dbraw/zinc/07/57/77/331075777.db2.gz FLSLBWIOGMTQOX-GFCCVEGCSA-N 0 1 289.423 2.966 20 30 CFEDMN C=C(C)CCNC(=O)NC[C@H](c1ccco1)N1CCCC1 ZINC000454164568 331140450 /nfs/dbraw/zinc/14/04/50/331140450.db2.gz ZRIICBIGFXMDOA-CQSZACIVSA-N 0 1 291.395 2.682 20 30 CFEDMN C=C(C)CCNC(=O)N1CCC[C@@H](c2cc(C)[nH]n2)C1 ZINC000455325501 331166150 /nfs/dbraw/zinc/16/61/50/331166150.db2.gz NARUDTMCHHTXPA-CYBMUJFWSA-N 0 1 276.384 2.573 20 30 CFEDMN C=CC(C)(C)CNC(=O)c1sccc1CN(C)C ZINC000456117436 331184729 /nfs/dbraw/zinc/18/47/29/331184729.db2.gz OHBZFYPGVLGKIT-UHFFFAOYSA-N 0 1 266.410 2.752 20 30 CFEDMN C=C(CC)CNC(=O)N[C@H](C)c1n[nH]c([C@H](C)CC)n1 ZINC000459082217 331269672 /nfs/dbraw/zinc/26/96/72/331269672.db2.gz FXLKGZIFQNEQMB-GHMZBOCLSA-N 0 1 279.388 2.645 20 30 CFEDMN C[C@H]1CN(c2ccccc2CN2CCC(C#N)CC2)CCO1 ZINC000459331790 331276606 /nfs/dbraw/zinc/27/66/06/331276606.db2.gz WXUJEVCJSPXDRU-HNNXBMFYSA-N 0 1 299.418 2.647 20 30 CFEDMN N#C[C@@H]1CCC[C@@H]1NCCc1ccc(F)c(F)c1 ZINC000459458631 331282466 /nfs/dbraw/zinc/28/24/66/331282466.db2.gz FOJGOSSFIODFAJ-FZMZJTMJSA-N 0 1 250.292 2.789 20 30 CFEDMN C=CCOc1ccc(CN2CC3(C2)CCCOC3)cc1 ZINC000459610438 331290432 /nfs/dbraw/zinc/29/04/32/331290432.db2.gz STVULFBIHSDNNL-UHFFFAOYSA-N 0 1 273.376 2.864 20 30 CFEDMN Fc1ccc(C#CCN2CC3(CCC3)[C@@H]3COC[C@H]32)cc1 ZINC000459682332 331294124 /nfs/dbraw/zinc/29/41/24/331294124.db2.gz SNBJBBBHHZXGMR-IAGOWNOFSA-N 0 1 285.362 2.678 20 30 CFEDMN C=CCC1(C(=O)N2CCN(C)[C@@H](C(C)C)C2)CCC1 ZINC000489342317 332048008 /nfs/dbraw/zinc/04/80/08/332048008.db2.gz WUQLPGFUOFJGNT-CQSZACIVSA-N 0 1 264.413 2.531 20 30 CFEDMN C=C[C@H]1CCCCN1CC(=O)NCCc1ccccc1C ZINC000489395290 332049852 /nfs/dbraw/zinc/04/98/52/332049852.db2.gz CJNXBROQHZUQDM-KRWDZBQOSA-N 0 1 286.419 2.694 20 30 CFEDMN C=C[C@@H]1CCCCN1CC(=O)N(C(C)C)C(C)C ZINC000489485717 332055536 /nfs/dbraw/zinc/05/55/36/332055536.db2.gz YAQMOWMFVPCBCR-CQSZACIVSA-N 0 1 252.402 2.672 20 30 CFEDMN C#CCN1CCC(C(=O)OCc2cccc(CC)c2)CC1 ZINC000490742334 332112102 /nfs/dbraw/zinc/11/21/02/332112102.db2.gz ZISBHDLDGMCZMD-UHFFFAOYSA-N 0 1 285.387 2.637 20 30 CFEDMN C#CCN1CCC(C(=O)OCc2ccc(Cl)s2)CC1 ZINC000490873355 332121498 /nfs/dbraw/zinc/12/14/98/332121498.db2.gz IPZKAFGTEZFSFZ-UHFFFAOYSA-N 0 1 297.807 2.790 20 30 CFEDMN C#CC[N@H+](CC)C[C@]1(C)CCN(C(=O)OC(C)(C)C)C1 ZINC000490994384 332136926 /nfs/dbraw/zinc/13/69/26/332136926.db2.gz CIGXBUPBFPMXDR-INIZCTEOSA-N 0 1 280.412 2.589 20 30 CFEDMN C#CCN(C[C@@H](O)c1cc2ccccc2o1)C1CC1 ZINC000491121710 332152627 /nfs/dbraw/zinc/15/26/27/332152627.db2.gz RYFPRHPPYVGFGY-CQSZACIVSA-N 0 1 255.317 2.564 20 30 CFEDMN C#C[C@H](NCc1c(Cl)nc2ccccn21)C(C)C ZINC000491268163 332178037 /nfs/dbraw/zinc/17/80/37/332178037.db2.gz XYPPIJWOMLNFMN-NSHDSACASA-N 0 1 261.756 2.735 20 30 CFEDMN C#CCN1CCC(C(=O)OCc2ccc(C)cc2C)CC1 ZINC000491666411 332274912 /nfs/dbraw/zinc/27/49/12/332274912.db2.gz WBUMLHJSHVZARR-UHFFFAOYSA-N 0 1 285.387 2.692 20 30 CFEDMN C#C[C@@H](C)N(C)Cc1ccc(OC)c(OC(F)F)c1 ZINC000491678319 332282946 /nfs/dbraw/zinc/28/29/46/332282946.db2.gz TUTIWMCZPGZDNP-SNVBAGLBSA-N 0 1 269.291 2.750 20 30 CFEDMN C#C[C@H](NCC1=CCCOC1)c1ccc(Cl)cc1 ZINC000491694853 332290752 /nfs/dbraw/zinc/29/07/52/332290752.db2.gz GPMFCJCWNPUPSZ-HNNXBMFYSA-N 0 1 261.752 2.951 20 30 CFEDMN C#C[C@H](CC)NCc1cnc(-c2ccccc2OC)nc1 ZINC000491725169 332309214 /nfs/dbraw/zinc/30/92/14/332309214.db2.gz AVIBIKXDTRKLFQ-CQSZACIVSA-N 0 1 281.359 2.654 20 30 CFEDMN C#C[C@@H](CC)NCc1cnc(-c2ccccc2OC)nc1 ZINC000491725166 332309341 /nfs/dbraw/zinc/30/93/41/332309341.db2.gz AVIBIKXDTRKLFQ-AWEZNQCLSA-N 0 1 281.359 2.654 20 30 CFEDMN C#C[C@@H](C)N(C)Cc1c[nH]nc1-c1c(F)cccc1F ZINC000491754010 332329275 /nfs/dbraw/zinc/32/92/75/332329275.db2.gz QYHFOFIAGUSVPO-SNVBAGLBSA-N 0 1 275.302 2.808 20 30 CFEDMN C#C[C@H](C)N(C)C(=O)[C@H](c1ccccc1)N(CC)CC ZINC000491763805 332332714 /nfs/dbraw/zinc/33/27/14/332332714.db2.gz CCIQGHRNDNABSM-HOCLYGCPSA-N 0 1 272.392 2.550 20 30 CFEDMN C#CCNC1(c2ccc(OC(F)(F)F)cc2)CC1 ZINC000491775861 332341403 /nfs/dbraw/zinc/34/14/03/332341403.db2.gz VSXZAKUCZBTMGR-UHFFFAOYSA-N 0 1 255.239 2.797 20 30 CFEDMN C#CCN(CCc1cscn1)Cc1ccccc1 ZINC000491803202 332357189 /nfs/dbraw/zinc/35/71/89/332357189.db2.gz IQNWNJGOLSHFCH-UHFFFAOYSA-N 0 1 256.374 2.821 20 30 CFEDMN C#C[C@H](C)N(C)C(=O)c1cc(-c2ccc(C)c(C)c2)[nH]n1 ZINC000491804525 332358487 /nfs/dbraw/zinc/35/84/87/332358487.db2.gz MLRPUPPXCFLAFF-ZDUSSCGKSA-N 0 1 281.359 2.787 20 30 CFEDMN C#CCN(CCOCC(F)(F)F)Cc1ccccc1 ZINC000491808049 332361115 /nfs/dbraw/zinc/36/11/15/332361115.db2.gz CWKINGGRMSEIFR-UHFFFAOYSA-N 0 1 271.282 2.701 20 30 CFEDMN C#C[C@@H](C)N(C)C(=O)Nc1ccc2nc(C(F)F)[nH]c2c1 ZINC000491811193 332363851 /nfs/dbraw/zinc/36/38/51/332363851.db2.gz BWPXIUWJBUZIMV-MRVPVSSYSA-N 0 1 292.289 2.986 20 30 CFEDMN N#CCC1CCN([C@@H]2CCc3ccccc3NC2=O)CC1 ZINC000336425453 335106145 /nfs/dbraw/zinc/10/61/45/335106145.db2.gz YQYKOTOMKDLFBA-MRXNPFEDSA-N 0 1 283.375 2.566 20 30 CFEDMN C=CCNC(=O)CN1CCC[C@@H](c2ccc(CC)cc2)C1 ZINC000513406316 333017751 /nfs/dbraw/zinc/01/77/51/333017751.db2.gz PLMLAFMCPLVRDM-QGZVFWFLSA-N 0 1 286.419 2.731 20 30 CFEDMN C=CCCOCCN[C@H](C)c1cn2ccccc2n1 ZINC000517071018 333092000 /nfs/dbraw/zinc/09/20/00/333092000.db2.gz HCJGVABCVHBVLY-CYBMUJFWSA-N 0 1 259.353 2.578 20 30 CFEDMN Cc1csc(C(C#N)C(=O)c2cnn(C(C)C)c2)n1 ZINC000191436128 333219812 /nfs/dbraw/zinc/21/98/12/333219812.db2.gz MNPRKWGWITUHNC-NSHDSACASA-N 0 1 274.349 2.719 20 30 CFEDMN C[C@H](C#N)CNCCN(C(=O)OC(C)(C)C)C(C)(C)C ZINC000230973900 333323162 /nfs/dbraw/zinc/32/31/62/333323162.db2.gz SKLIZRGHFLCJRM-GFCCVEGCSA-N 0 1 283.416 2.771 20 30 CFEDMN C=CCN(Cc1cccs1)C(=O)[C@@H](C)[N@@H+](C)CC1CC1 ZINC000077194729 334098067 /nfs/dbraw/zinc/09/80/67/334098067.db2.gz WTGFUQXQAWARCV-CYBMUJFWSA-N 0 1 292.448 2.993 20 30 CFEDMN C=CCC[N@H+]1CCCC[C@H]1CNC(=O)c1ccccc1 ZINC000175171374 335176818 /nfs/dbraw/zinc/17/68/18/335176818.db2.gz HFCHZMBMASBGHE-INIZCTEOSA-N 0 1 272.392 2.847 20 30 CFEDMN CC[C@@H](CC#N)NC[C@@H](O)COc1cccc2ccccc21 ZINC000564341517 334141226 /nfs/dbraw/zinc/14/12/26/334141226.db2.gz CHVLZMMUHBFTIV-JKSUJKDBSA-N 0 1 298.386 2.861 20 30 CFEDMN C=C(C)CNC(=O)NC[C@@H](c1ccc(Cl)cc1)N(C)C ZINC000548610565 334163759 /nfs/dbraw/zinc/16/37/59/334163759.db2.gz UCMRCJXRRUJMCT-AWEZNQCLSA-N 0 1 295.814 2.818 20 30 CFEDMN C=C(C)CN(CC)CC(=O)N[C@@H]1CCC[C@H](C)[C@H]1C ZINC000248257357 334297643 /nfs/dbraw/zinc/29/76/43/334297643.db2.gz VCPPOJCPNGOPCJ-RRFJBIMHSA-N 0 1 266.429 2.825 20 30 CFEDMN CC#CCCN1CCN(C/C=C/c2ccccc2)CC1 ZINC000155084052 334712907 /nfs/dbraw/zinc/71/29/07/334712907.db2.gz SDXYGSPCGPOGFF-DHZHZOJOSA-N 0 1 268.404 2.731 20 30 CFEDMN C=C(C)CN(CC)C(=O)CN1CCS[C@H]2CCCC[C@@H]21 ZINC000177183308 335367809 /nfs/dbraw/zinc/36/78/09/335367809.db2.gz FRLMUOUOXWBYJZ-GJZGRUSLSA-N 0 1 296.480 2.771 20 30 CFEDMN C=C(C)CN(CC)C(=O)CN1CCS[C@@H]2CCCC[C@@H]21 ZINC000177183321 335367942 /nfs/dbraw/zinc/36/79/42/335367942.db2.gz FRLMUOUOXWBYJZ-LSDHHAIUSA-N 0 1 296.480 2.771 20 30 CFEDMN Cc1cc(C[C@H](C)NCCC#N)n(-c2ccccc2)n1 ZINC000579228514 335723825 /nfs/dbraw/zinc/72/38/25/335723825.db2.gz QQFDYNYELROPHF-ZDUSSCGKSA-N 0 1 268.364 2.615 20 30 CFEDMN COC(=O)c1coc(CN2CCC(CCC#N)CC2)c1 ZINC000581009465 335995573 /nfs/dbraw/zinc/99/55/73/335995573.db2.gz OTTDUGXJSYTXCZ-UHFFFAOYSA-N 0 1 276.336 2.582 20 30 CFEDMN C=C(C)C[N@@H+](CC)CCOc1cccc(C(=O)[O-])c1 ZINC000382491424 336091824 /nfs/dbraw/zinc/09/18/24/336091824.db2.gz DXCKZCNIININGF-UHFFFAOYSA-N 0 1 263.337 2.662 20 30 CFEDMN C=CCC[C@H](C(=O)NCCCc1nc[nH]n1)c1ccccc1 ZINC000581614485 336112737 /nfs/dbraw/zinc/11/27/37/336112737.db2.gz MALNZFCPEWMJSA-HNNXBMFYSA-N 0 1 298.390 2.604 20 30 CFEDMN C=C(C)CCN1CC[C@H]1CN(C)C(=O)c1sccc1F ZINC001085583445 782106060 /nfs/dbraw/zinc/10/60/60/782106060.db2.gz INOUERPCCOVILZ-LBPRGKRZSA-N 0 1 296.411 3.000 20 30 CFEDMN C=C(C)CN1CC[C@@H]1CN(C)C(=O)[C@@H]1CCCC12CC2 ZINC001085667146 782128664 /nfs/dbraw/zinc/12/86/64/782128664.db2.gz ALDSWTLLPHKDBD-CABCVRRESA-N 0 1 276.424 2.676 20 30 CFEDMN C=C(C)CN1CC[C@@H]1CN(C)C(=O)[C@H]1CCCC1(C)C ZINC001085773728 782158262 /nfs/dbraw/zinc/15/82/62/782158262.db2.gz LEYRHEOOVBOQHL-HUUCEWRRSA-N 0 1 278.440 2.922 20 30 CFEDMN C[C@@H]1Cc2ccccc2[C@@H]1NC(=O)[C@H]1CCc2[nH]nnc2C1 ZINC000329040888 534081337 /nfs/dbraw/zinc/08/13/37/534081337.db2.gz SQMMRZXTFDWMLY-RSAASHCRSA-N 0 1 296.374 2.800 20 30 CFEDMN C[C@@H]1Cc2ccccc2[C@@H]1NC(=O)[C@H]1CCc2nn[nH]c2C1 ZINC000329040888 534081342 /nfs/dbraw/zinc/08/13/42/534081342.db2.gz SQMMRZXTFDWMLY-RSAASHCRSA-N 0 1 296.374 2.800 20 30 CFEDMN O=C(CC1(O)CCCC1)Nc1ccc2nc[nH]c2c1 ZINC000329887473 534337427 /nfs/dbraw/zinc/33/74/27/534337427.db2.gz XLYCDQYWZPUTDB-UHFFFAOYSA-N 0 1 259.309 2.846 20 30 CFEDMN C=Cn1cc(CN[C@@H](C)c2ccc(C#N)cc2)cn1 ZINC000235534937 519325956 /nfs/dbraw/zinc/32/59/56/519325956.db2.gz JVAAUMOAWFOFQM-LBPRGKRZSA-N 0 1 252.321 2.706 20 30 CFEDMN CC(C)N(CC(=O)N(C)CC1CC1)Cc1ccc(C#N)cc1 ZINC000063750508 519635451 /nfs/dbraw/zinc/63/54/51/519635451.db2.gz ICWLPXUNHPICIU-UHFFFAOYSA-N 0 1 299.418 2.637 20 30 CFEDMN CCC1(CO)CCN(Cc2cn3ccccc3c2C#N)CC1 ZINC000305754630 519844473 /nfs/dbraw/zinc/84/44/73/519844473.db2.gz WLKHYNZBRAYFKT-UHFFFAOYSA-N 0 1 297.402 2.795 20 30 CFEDMN CC1(C)CCN(Cc2nnc(-c3ccc(C#N)cc3)o2)C1 ZINC000174249625 520380290 /nfs/dbraw/zinc/38/02/90/520380290.db2.gz UBXRYZUCMLDGOK-UHFFFAOYSA-N 0 1 282.347 2.840 20 30 CFEDMN CC1(C)CN(Cc2cc(C#N)ccc2F)CCCO1 ZINC000312055066 520477028 /nfs/dbraw/zinc/47/70/28/520477028.db2.gz YVAAXAJDYJGYSW-UHFFFAOYSA-N 0 1 262.328 2.698 20 30 CFEDMN CCN(CC)CC(=O)N(CC(C)C)c1ccc(C#N)cc1 ZINC000338405544 520571710 /nfs/dbraw/zinc/57/17/10/520571710.db2.gz GNSLJBZPSTWWQU-UHFFFAOYSA-N 0 1 287.407 2.889 20 30 CFEDMN Cc1nc2cc(N[C@@H]3CC[C@H](C#N)C3)ccc2n1C ZINC000334756423 534644459 /nfs/dbraw/zinc/64/44/59/534644459.db2.gz HUUFDTMPGRZNSE-NWDGAFQWSA-N 0 1 254.337 2.986 20 30 CFEDMN CC[C@H]1CN(CCCOc2cccc(C#N)c2)C[C@@H](C)O1 ZINC000246133385 523275747 /nfs/dbraw/zinc/27/57/47/523275747.db2.gz ZTMLHFHHSVLZGL-ZBFHGGJFSA-N 0 1 288.391 2.826 20 30 CFEDMN CO[C@@H]1CCN(Cc2cccc(C#N)c2F)CC1(C)C ZINC000336294223 523688813 /nfs/dbraw/zinc/68/88/13/523688813.db2.gz JFSLUTVIFBHOTL-CQSZACIVSA-N 0 1 276.355 2.944 20 30 CFEDMN CN1CCCc2cc(CNCc3ccc(C#N)o3)ccc21 ZINC000174323935 523863427 /nfs/dbraw/zinc/86/34/27/523863427.db2.gz QTOGUJNIFGMIOS-UHFFFAOYSA-N 0 1 281.359 2.823 20 30 CFEDMN N#CC(C(=O)c1ccccc1OC(F)F)c1ccncn1 ZINC000354476939 534740713 /nfs/dbraw/zinc/74/07/13/534740713.db2.gz SNOBATXXIDDADR-JTQLQIEISA-N 0 1 289.241 2.568 20 30 CFEDMN COCCN[C@H](C)c1nc(-c2ccc(C#N)cc2)cs1 ZINC000364942415 523961707 /nfs/dbraw/zinc/96/17/07/523961707.db2.gz GJHKXCOZZHIZJH-LLVKDONJSA-N 0 1 287.388 2.979 20 30 CFEDMN CCc1ccc([C@@H](CO)NCc2cccc(C#N)c2)cc1 ZINC000305254889 524030351 /nfs/dbraw/zinc/03/03/51/524030351.db2.gz KLOQFHVWCRWJJW-GOSISDBHSA-N 0 1 280.371 2.944 20 30 CFEDMN CNC(=O)C[C@H](NCc1cccc(C#N)c1)c1ccccc1 ZINC000360753426 524075738 /nfs/dbraw/zinc/07/57/38/524075738.db2.gz IIYCVXHTPUPJAH-KRWDZBQOSA-N 0 1 293.370 2.525 20 30 CFEDMN C=CCN1CCC(Nc2nnc(C(F)F)s2)CC1 ZINC000269264382 534847970 /nfs/dbraw/zinc/84/79/70/534847970.db2.gz BETSODQWEKPYHG-UHFFFAOYSA-N 0 1 274.340 2.538 20 30 CFEDMN C[C@H](O)C[C@H]1CCCCN1Cc1cccc(C#N)c1F ZINC000222571929 525821339 /nfs/dbraw/zinc/82/13/39/525821339.db2.gz LSCPCDHYSZRJDV-SWLSCSKDSA-N 0 1 276.355 2.823 20 30 CFEDMN CS[C@H]1CCN(Cc2cccc(C#N)c2F)C1 ZINC000336237199 525913453 /nfs/dbraw/zinc/91/34/53/525913453.db2.gz RSQRVHIKOLDXTH-LBPRGKRZSA-N 0 1 250.342 2.635 20 30 CFEDMN C[C@H](c1ccc(C#N)cc1)N1CCCc2c(cnn2C)C1 ZINC000335184931 526043209 /nfs/dbraw/zinc/04/32/09/526043209.db2.gz PZVBFMNQWKRFDW-CYBMUJFWSA-N 0 1 280.375 2.801 20 30 CFEDMN CC#CCN(Cc1cccs1)[C@@H]1C=C[C@H](CO)C1 ZINC000347339655 526362445 /nfs/dbraw/zinc/36/24/45/526362445.db2.gz MQDGQHVLNDOQQG-UONOGXRCSA-N 0 1 261.390 2.510 20 30 CFEDMN N#Cc1c(F)cccc1CN1CCC[C@@H]2COCC[C@@H]21 ZINC000336111900 526522898 /nfs/dbraw/zinc/52/28/98/526522898.db2.gz OOYOAEYLUAFIKS-CJNGLKHVSA-N 0 1 274.339 2.698 20 30 CFEDMN N#Cc1ccc(CN2CCC[C@H](c3cc[nH]n3)C2)cc1F ZINC000191952875 526613150 /nfs/dbraw/zinc/61/31/50/526613150.db2.gz TVBUSXRXYBCICD-AWEZNQCLSA-N 0 1 284.338 2.800 20 30 CFEDMN N#Cc1ccc(CN2CC[C@H](Oc3ccccc3)C2)o1 ZINC000374256912 526616493 /nfs/dbraw/zinc/61/64/93/526616493.db2.gz BLQUIRZBAUVMHF-INIZCTEOSA-N 0 1 268.316 2.805 20 30 CFEDMN N#Cc1ccc(CN2CC[C@]3(CCOC3)C2)c(Cl)c1 ZINC000334804082 526617836 /nfs/dbraw/zinc/61/78/36/526617836.db2.gz BJGVEXQBVGMYTJ-HNNXBMFYSA-N 0 1 276.767 2.824 20 30 CFEDMN N#Cc1ccc(F)cc1CN1CCC[C@@H]1[C@H]1CCC[C@H]1O ZINC000300458149 526641039 /nfs/dbraw/zinc/64/10/39/526641039.db2.gz VMVQCINUYLDVQF-BRWVUGGUSA-N 0 1 288.366 2.823 20 30 CFEDMN C=C(C)C[C@@H](C)C(=O)N[C@@H](c1nnc[nH]1)c1ccccc1 ZINC000344468410 526701373 /nfs/dbraw/zinc/70/13/73/526701373.db2.gz BLCHIVFKDNKXHM-TZMCWYRMSA-N 0 1 284.363 2.613 20 30 CFEDMN Cc1[nH]sc(=Nc2ccn(CCC(C)C)n2)c1C#N ZINC000361075404 526713046 /nfs/dbraw/zinc/71/30/46/526713046.db2.gz UAXDPOIHRKHQIJ-UHFFFAOYSA-N 0 1 275.381 2.731 20 30 CFEDMN N#Cc1ccccc1CN[C@H]1Cc2cccc(O)c2C1 ZINC000336280311 526736710 /nfs/dbraw/zinc/73/67/10/526736710.db2.gz TYHRJJHNGHDURC-HNNXBMFYSA-N 0 1 264.328 2.521 20 30 CFEDMN C#CCCOc1ccc(CN[C@@H](CO)c2ccccc2)cc1 ZINC000116345449 526745677 /nfs/dbraw/zinc/74/56/77/526745677.db2.gz VMNYLPCNVJMLBO-IBGZPJMESA-N 0 1 295.382 2.912 20 30 CFEDMN Cc1nc(C2CCN(Cc3ccc(C#N)cc3)CC2)no1 ZINC000360272086 526783040 /nfs/dbraw/zinc/78/30/40/526783040.db2.gz XQYXZNTVFGBMNZ-UHFFFAOYSA-N 0 1 282.347 2.629 20 30 CFEDMN CC(C)(C)c1cn2c(n1)CC[C@@H]([NH+]=C([O-])NC1CCC1)C2 ZINC000329257948 526813299 /nfs/dbraw/zinc/81/32/99/526813299.db2.gz FDGOKAPQHVYLFY-GFCCVEGCSA-N 0 1 290.411 2.552 20 30 CFEDMN CC(C)(C)c1cn2c(n1)CC[C@@H](NC([O-])=[NH+]C1CCC1)C2 ZINC000329257948 526813303 /nfs/dbraw/zinc/81/33/03/526813303.db2.gz FDGOKAPQHVYLFY-GFCCVEGCSA-N 0 1 290.411 2.552 20 30 CFEDMN C=C1CCN(C(=O)[C@H]2CCc3[nH]c(C(C)C)nc3C2)CC1 ZINC000334614713 526898589 /nfs/dbraw/zinc/89/85/89/526898589.db2.gz FCGJSCMIRVFEFY-ZDUSSCGKSA-N 0 1 287.407 2.817 20 30 CFEDMN C=CCC(C)(C)C(=O)N1CCN(CCOC)[C@@H](CCC)C1 ZINC000344567829 526988299 /nfs/dbraw/zinc/98/82/99/526988299.db2.gz DVTSPCIYGVDVOM-HNNXBMFYSA-N 0 1 296.455 2.548 20 30 CFEDMN C=CCCC[C@@H](C)NC(=O)N1CCNC[C@H]1CCC ZINC000417992525 527263715 /nfs/dbraw/zinc/26/37/15/527263715.db2.gz WNRWHZYMRKNTDL-ZIAGYGMSSA-N 0 1 267.417 2.515 20 30 CFEDMN C=CCC[C@@H](NCc1ccc(C(N)=O)nc1)c1ccco1 ZINC000353531854 527449020 /nfs/dbraw/zinc/44/90/20/527449020.db2.gz PPZMVGUBPNQRMM-CYBMUJFWSA-N 0 1 285.347 2.571 20 30 CFEDMN C=CCN(C)C(=O)c1cc(-c2ccc(C)c(C)c2)[nH]n1 ZINC000353760450 527569541 /nfs/dbraw/zinc/56/95/41/527569541.db2.gz AASQGZZHOBTNRC-UHFFFAOYSA-N 0 1 269.348 2.952 20 30 CFEDMN CCOc1c(F)cccc1C(=O)C(C#N)c1ccncn1 ZINC000354462305 528185097 /nfs/dbraw/zinc/18/50/97/528185097.db2.gz HLBGPDRPNLZNAS-NSHDSACASA-N 0 1 285.278 2.504 20 30 CFEDMN C=C(C)CN1CC[C@H]1CN(C)C(=O)c1ccc2[nH]ccc2c1 ZINC001085790388 782166047 /nfs/dbraw/zinc/16/60/47/782166047.db2.gz IYAKRHFBMQVHHL-INIZCTEOSA-N 0 1 297.402 2.890 20 30 CFEDMN CC(C)c1nc([C@@H](C)NC(=O)[C@@H]2CCC(=O)[C@H](C)C2)n[nH]1 ZINC000329013366 528299004 /nfs/dbraw/zinc/29/90/04/528299004.db2.gz IZOUJOSWYYVINL-GMTAPVOTSA-N 0 1 292.383 2.951 20 30 CFEDMN CC(C)C[C@H]1CCN(CC(=O)Nc2ccc(C#N)cc2)C1 ZINC000174192364 528595912 /nfs/dbraw/zinc/59/59/12/528595912.db2.gz DXWDGTQJOXUOHG-OAHLLOKOSA-N 0 1 285.391 2.865 20 30 CFEDMN CCOC(=O)C[C@@H](C)N(C)CC#Cc1ccccc1Cl ZINC000343598807 528864644 /nfs/dbraw/zinc/86/46/44/528864644.db2.gz CZADFGIBUXVUQX-CYBMUJFWSA-N 0 1 293.794 2.965 20 30 CFEDMN CCN(C([O-])=[NH+][C@@H]1CCc2cnn(C(C)C)c2C1)C1CC1 ZINC000330056581 528903954 /nfs/dbraw/zinc/90/39/54/528903954.db2.gz WCSVQXQFWAJZCF-CYBMUJFWSA-N 0 1 290.411 2.720 20 30 CFEDMN CCC(CC)n1nccc1C(=O)[C@H](C#N)c1ccncn1 ZINC000354468168 528917834 /nfs/dbraw/zinc/91/78/34/528917834.db2.gz LOTYTNMHYAWTDX-GFCCVEGCSA-N 0 1 283.335 2.524 20 30 CFEDMN CCC(CC)n1nccc1C(=O)C(C#N)c1ccncn1 ZINC000354468168 528917840 /nfs/dbraw/zinc/91/78/40/528917840.db2.gz LOTYTNMHYAWTDX-GFCCVEGCSA-N 0 1 283.335 2.524 20 30 CFEDMN CC[C@H](C)N1CCN(C(=O)[C@@H](C)c2cccc(C#N)c2)CC1 ZINC000456520810 536147441 /nfs/dbraw/zinc/14/74/41/536147441.db2.gz KHZBOAJGPZNQQL-GJZGRUSLSA-N 0 1 299.418 2.604 20 30 CFEDMN CCOc1ccc([C@H]2CCCN2CC#CCOC)cc1 ZINC000677132901 545502387 /nfs/dbraw/zinc/50/23/87/545502387.db2.gz YHSJSQNHTFPTOC-QGZVFWFLSA-N 0 1 273.376 2.872 20 30 CFEDMN C=C[C@H](C)NC(=O)[C@@H]1CCCCN1Cc1ccccc1 ZINC000155856496 545573189 /nfs/dbraw/zinc/57/31/89/545573189.db2.gz ZQIRDOWRNNNNGG-HOCLYGCPSA-N 0 1 272.392 2.732 20 30 CFEDMN C=C(C)CN1CC[C@@H]1CN(C)C(=O)[C@@H]1C[C@H]1CCC ZINC001085807141 782171865 /nfs/dbraw/zinc/17/18/65/782171865.db2.gz ZZDXHEBIORDXOO-RBSFLKMASA-N 0 1 264.413 2.531 20 30 CFEDMN C[C@H]1CC(NC(=O)c2ccc(C(F)F)c(F)c2)=NO1 ZINC000935137352 649879383 /nfs/dbraw/zinc/87/93/83/649879383.db2.gz WBAPHAVVUZIJGC-LURJTMIESA-N 0 1 272.226 2.615 20 30 CFEDMN C[C@H]1CC(NC(=O)c2cc(C3CC3)oc2C2CC2)=NO1 ZINC000935137187 649879324 /nfs/dbraw/zinc/87/93/24/649879324.db2.gz UJJDYKVXCCAMHP-QMMMGPOBSA-N 0 1 274.320 2.887 20 30 CFEDMN C=C[C@@H](CC)CC(=O)N[C@H](C)c1n[nH]c(C(C)C)n1 ZINC000935147824 649880369 /nfs/dbraw/zinc/88/03/69/649880369.db2.gz VHOZCOSBKLHGRE-MNOVXSKESA-N 0 1 264.373 2.708 20 30 CFEDMN C=C[C@H](CC)CC(=O)N1CCN(CCOC)[C@H](CCC)C1 ZINC000935172574 649882320 /nfs/dbraw/zinc/88/23/20/649882320.db2.gz VIVQDWCTPSBXKL-HZPDHXFCSA-N 0 1 296.455 2.548 20 30 CFEDMN C=C(C)CN(C)C(=O)c1ccc(CN2CCCCC2)o1 ZINC000935274594 649893467 /nfs/dbraw/zinc/89/34/67/649893467.db2.gz TWZQKUKFAXEHSX-UHFFFAOYSA-N 0 1 276.380 2.914 20 30 CFEDMN CC(C)(C#N)CNC(=O)c1ccc(CN2CCCCC2)o1 ZINC000935319982 649897413 /nfs/dbraw/zinc/89/74/13/649897413.db2.gz GPZXQTQHZSLCCI-UHFFFAOYSA-N 0 1 289.379 2.545 20 30 CFEDMN C=C(C)CN1CC[C@@H]1CN(C)C(=O)c1cc(C)ccc1F ZINC001085841085 782180862 /nfs/dbraw/zinc/18/08/62/782180862.db2.gz XSBVQKXACGVIFA-CQSZACIVSA-N 0 1 290.382 2.857 20 30 CFEDMN C=C(C)CN1CC[C@H]1CN(C)C(=O)c1ccc(C)cc1F ZINC001085834920 782180878 /nfs/dbraw/zinc/18/08/78/782180878.db2.gz XFSKICBHPHZDJB-AWEZNQCLSA-N 0 1 290.382 2.857 20 30 CFEDMN Cc1ccc2c(c1)C(=NNC1=N[C@@H]3CCCC[C@H]3N1)CC2 ZINC000753935448 574056225 /nfs/dbraw/zinc/05/62/25/574056225.db2.gz NUVYSFRLVUPHKB-HZPDHXFCSA-N 0 1 282.391 2.505 20 30 CFEDMN Fc1cccc(Cl)c1C=NNC1=N[C@@H]2CCCC[C@@H]2N1 ZINC000753939836 574057094 /nfs/dbraw/zinc/05/70/94/574057094.db2.gz RGFRQZLWKXWUQJ-BETUJISGSA-N 0 1 294.761 2.673 20 30 CFEDMN CC(C)c1nc(C#N)c(N=NC2C[C@@H](C)N(C3CC3)C2)o1 ZINC000753959168 574059431 /nfs/dbraw/zinc/05/94/31/574059431.db2.gz DUHDKMYSDRTHDC-SNVBAGLBSA-N 0 1 287.367 2.694 20 30 CFEDMN C[C@@H]1CC(N=Nc2cnc3ccccc3n2)CN1C1CC1 ZINC000753960425 574059743 /nfs/dbraw/zinc/05/97/43/574059743.db2.gz RTRHILYVCLINRJ-LLVKDONJSA-N 0 1 281.363 2.654 20 30 CFEDMN C[C@@H](NC(=O)[C@@H](C)C#N)c1nc2ccc(Cl)cc2[nH]1 ZINC000736679742 574065236 /nfs/dbraw/zinc/06/52/36/574065236.db2.gz KOTJNXAWECLZTL-JGVFFNPUSA-N 0 1 276.727 2.553 20 30 CFEDMN CC(C)CN(CCC#N)C[C@H](O)CCc1ccccc1 ZINC000754043380 574065424 /nfs/dbraw/zinc/06/54/24/574065424.db2.gz RCRLTYHAROYGNZ-QGZVFWFLSA-N 0 1 274.408 2.852 20 30 CFEDMN CC[C@@H](C(=O)OCc1ccc(F)cc1C#N)N(CC)CC ZINC000741032223 574072784 /nfs/dbraw/zinc/07/27/84/574072784.db2.gz BJVPWAFRHNKFIF-HNNXBMFYSA-N 0 1 292.354 2.861 20 30 CFEDMN CC[C@@H](C(=O)OCc1ccccc1C#N)N(CC)CC ZINC000741033401 574073074 /nfs/dbraw/zinc/07/30/74/574073074.db2.gz TVYSVLYJYURDCR-HNNXBMFYSA-N 0 1 274.364 2.722 20 30 CFEDMN Cc1cc(C)n(-c2nncn2N=C/C=C/c2ccccc2)n1 ZINC000744747589 574085596 /nfs/dbraw/zinc/08/55/96/574085596.db2.gz TZKQUUWYMKKERZ-LLMQNPFWSA-N 0 1 292.346 2.628 20 30 CFEDMN COCCNC(=S)Nc1ccccc1SCCC#N ZINC000730953477 574104538 /nfs/dbraw/zinc/10/45/38/574104538.db2.gz ZWNBNWXDDOLSMH-UHFFFAOYSA-N 0 1 295.433 2.625 20 30 CFEDMN Cn1c2ccccc2[nH]c1=NN=Cc1cccc([N+](=O)[O-])c1 ZINC000728775788 574108091 /nfs/dbraw/zinc/10/80/91/574108091.db2.gz COHADZRSKNEVDB-UHFFFAOYSA-N 0 1 295.302 2.928 20 30 CFEDMN Cn1c2ccccc2nc1N=NCc1cccc(O)c1 ZINC000728776231 574108734 /nfs/dbraw/zinc/10/87/34/574108734.db2.gz NCSOMNIAZOVADW-UHFFFAOYSA-N 0 1 266.304 2.725 20 30 CFEDMN CCc1nc(CON=C(c2ccccc2)C(F)(F)F)n[nH]1 ZINC000754889433 574127219 /nfs/dbraw/zinc/12/72/19/574127219.db2.gz NLJJJKHZSCIZBD-UHFFFAOYSA-N 0 1 298.268 2.850 20 30 CFEDMN Cc1cc(NN=Cc2cccc3cccnc23)ncn1 ZINC000731936044 574135559 /nfs/dbraw/zinc/13/55/59/574135559.db2.gz YJYHIIMIWIAZDP-UHFFFAOYSA-N 0 1 263.304 2.779 20 30 CFEDMN C[N@@H+](CC1CCCC1)[C@@H](C(=O)[O-])c1ccc(C#N)cc1 ZINC000737411085 574138996 /nfs/dbraw/zinc/13/89/96/574138996.db2.gz YOAZIJLZWUFGJE-OAHLLOKOSA-N 0 1 272.348 2.806 20 30 CFEDMN C#CCN(CC)Cc1cc(=O)oc2cc(O)c(CC)cc12 ZINC000746456702 574149683 /nfs/dbraw/zinc/14/96/83/574149683.db2.gz GAVALELUIUCGBE-UHFFFAOYSA-N 0 1 285.343 2.516 20 30 CFEDMN Cc1cccc(CN(C)Cc2ccc(OCC#N)cc2)n1 ZINC000746464552 574150150 /nfs/dbraw/zinc/15/01/50/574150150.db2.gz DBRKKXPPAZDKHN-UHFFFAOYSA-N 0 1 281.359 2.924 20 30 CFEDMN COCCCOc1cccc(C=NNc2ccccn2)c1 ZINC000746487065 574150926 /nfs/dbraw/zinc/15/09/26/574150926.db2.gz QAQUXHKMBNHHAH-UHFFFAOYSA-N 0 1 285.347 2.943 20 30 CFEDMN C=CCN(C/C=C(\C)C(=O)OC)Cc1ccccc1 ZINC000746499523 574151115 /nfs/dbraw/zinc/15/11/15/574151115.db2.gz MPZGZTOMIQTFEO-GXDHUFHOSA-N 0 1 259.349 2.794 20 30 CFEDMN C=CCN(C/C=C(/C)C(=O)OC)Cc1ccccc1 ZINC000746499524 574151397 /nfs/dbraw/zinc/15/13/97/574151397.db2.gz MPZGZTOMIQTFEO-UVTDQMKNSA-N 0 1 259.349 2.794 20 30 CFEDMN C[C@@H](NC(=O)C(C)(C)C#N)c1nc2ccc(Cl)cc2[nH]1 ZINC000732541711 574160290 /nfs/dbraw/zinc/16/02/90/574160290.db2.gz MXAIZHAOPKRVLK-MRVPVSSYSA-N 0 1 290.754 2.943 20 30 CFEDMN COc1cc([N+](=O)[O-])ccc1N=NCc1ccccc1O ZINC000746679362 574161817 /nfs/dbraw/zinc/16/18/17/574161817.db2.gz FFKAUOHYEHTUFA-UHFFFAOYSA-N 0 1 287.275 2.755 20 30 CFEDMN COc1cc2c(c(C=NNc3ccccn3)c1)O[C@H](C)C2 ZINC000755518365 574167159 /nfs/dbraw/zinc/16/71/59/574167159.db2.gz AGDZRIICMXAFJZ-LLVKDONJSA-N 0 1 283.331 2.860 20 30 CFEDMN Cc1[nH]cnc1C=NNc1cccc(Cl)c1F ZINC000755671920 574176674 /nfs/dbraw/zinc/17/66/74/574176674.db2.gz CACRDDDOZLCVGH-UHFFFAOYSA-N 0 1 252.680 2.957 20 30 CFEDMN Cc1cccn2c(CN=Nc3ccc(F)cn3)cnc12 ZINC000755707608 574179842 /nfs/dbraw/zinc/17/98/42/574179842.db2.gz VTLDUNALKUMPEB-UHFFFAOYSA-N 0 1 269.283 2.623 20 30 CFEDMN Cc1[nH]cnc1C=NNc1cccc(C(F)(F)F)n1 ZINC000755738364 574182951 /nfs/dbraw/zinc/18/29/51/574182951.db2.gz HYNKNYYXVXMKQR-UHFFFAOYSA-N 0 1 269.230 2.578 20 30 CFEDMN Fc1cccc(N=NCc2cn(-c3ccccc3)nn2)c1F ZINC000755751381 574184200 /nfs/dbraw/zinc/18/42/00/574184200.db2.gz XEAUZGVBBMVQCS-UHFFFAOYSA-N 0 1 299.284 2.992 20 30 CFEDMN C[C@H]1CN(C2CC2)CC1N=Nc1ncccc1Cl ZINC000755889624 574194400 /nfs/dbraw/zinc/19/44/00/574194400.db2.gz GVZLTEPHLPLLAI-VIFPVBQESA-N 0 1 264.760 2.617 20 30 CFEDMN Cc1ccnc(NN=Cc2ccc3c(c2)CCO3)c1 ZINC000755900061 574195367 /nfs/dbraw/zinc/19/53/67/574195367.db2.gz JROSFZKFQXOWLP-UHFFFAOYSA-N 0 1 253.305 2.771 20 30 CFEDMN N#CCCCC[N@H+](CCC(=O)[O-])Cc1ccc(F)c(F)c1 ZINC000739069340 574196846 /nfs/dbraw/zinc/19/68/46/574196846.db2.gz PHBILKJGBCFZES-UHFFFAOYSA-N 0 1 296.317 2.935 20 30 CFEDMN Cc1cc(C(C#N)C(=O)[C@@H]2CC23CCCC3)nc(C)n1 ZINC000747480016 574197382 /nfs/dbraw/zinc/19/73/82/574197382.db2.gz QIVNLTVGDBIRKG-OLZOCXBDSA-N 0 1 269.348 2.850 20 30 CFEDMN C[C@@H](C=Nn1cnnc1)c1cccc(Br)c1 ZINC000747623991 574203914 /nfs/dbraw/zinc/20/39/14/574203914.db2.gz GUQQTBHHOPMOPI-VIFPVBQESA-N 0 1 279.141 2.678 20 30 CFEDMN CCC[N@@H+](Cc1ccccc1C#N)[C@@H]1CCN(C(=O)[O-])C1 ZINC000739358244 574209960 /nfs/dbraw/zinc/20/99/60/574209960.db2.gz AGQVONHAVDTNNZ-OAHLLOKOSA-N 0 1 287.363 2.523 20 30 CFEDMN CC(C)[C@H]1CCCC1=NNCCN1CCCCC1 ZINC000747753686 574210390 /nfs/dbraw/zinc/21/03/90/574210390.db2.gz TXOJGXQIAGYQPM-CQSZACIVSA-N 0 1 251.418 2.874 20 30 CFEDMN C=CCCC(N=Nc1cn[nH]c(=O)c1Cl)C1CC1 ZINC000747752075 574210414 /nfs/dbraw/zinc/21/04/14/574210414.db2.gz VFAOSNUXGORBSM-UHFFFAOYSA-N 0 1 266.732 2.980 20 30 CFEDMN OCc1ccc(C=NNc2ccc(C(F)(F)F)cn2)o1 ZINC000739400776 574212010 /nfs/dbraw/zinc/21/20/10/574212010.db2.gz UPCVHDVLBOKEFE-UHFFFAOYSA-N 0 1 285.225 2.632 20 30 CFEDMN OCc1ccc(CN=Nc2cc(F)c(F)cc2F)o1 ZINC000739410829 574212382 /nfs/dbraw/zinc/21/23/82/574212382.db2.gz BZCZTBGCTJKMDO-UHFFFAOYSA-N 0 1 270.210 2.635 20 30 CFEDMN CCC(=NN=c1cc[nH]c(N(C)C)n1)c1ccc(F)cc1 ZINC000739411107 574212386 /nfs/dbraw/zinc/21/23/86/574212386.db2.gz GWVVTQNURJCZGP-UHFFFAOYSA-N 0 1 287.342 2.908 20 30 CFEDMN CCCCCCCCC(=O)NCCc1nc(C)n[nH]1 ZINC000747975517 574223746 /nfs/dbraw/zinc/22/37/46/574223746.db2.gz XFXQXHDXPJPHBU-UHFFFAOYSA-N 0 1 266.389 2.522 20 30 CFEDMN C#CCNC(=O)c1cc(Cl)c2ccccc2c1O ZINC000748038846 574226160 /nfs/dbraw/zinc/22/61/60/574226160.db2.gz QKCGCDNAPNVICL-UHFFFAOYSA-N 0 1 259.692 2.562 20 30 CFEDMN Cc1nc(Cl)cc(NN=Cc2cc(C#N)cs2)n1 ZINC000748076706 574227197 /nfs/dbraw/zinc/22/71/97/574227197.db2.gz ZMVIJNBDWAQIFF-UHFFFAOYSA-N 0 1 277.740 2.818 20 30 CFEDMN C#CCN1CCC[C@H]1COC(=O)c1ccc(CCC)cc1 ZINC000729812591 574232266 /nfs/dbraw/zinc/23/22/66/574232266.db2.gz XUVJPMZHRTXPOH-KRWDZBQOSA-N 0 1 285.387 2.894 20 30 CFEDMN C#CCN1CCC[C@H]1COC(=O)c1ccc(CC)cc1 ZINC000729808675 574233065 /nfs/dbraw/zinc/23/30/65/574233065.db2.gz DZHPPUHTPRPNPU-INIZCTEOSA-N 0 1 271.360 2.503 20 30 CFEDMN C#CCN1CCC[C@H]1COC(=O)CC1CCCCC1 ZINC000729808941 574233300 /nfs/dbraw/zinc/23/33/00/574233300.db2.gz HMQLNVZFOVEGHW-HNNXBMFYSA-N 0 1 263.381 2.598 20 30 CFEDMN C=CCCCCCN(C)C(=O)NCc1cc(CC)[nH]n1 ZINC000740057796 574234045 /nfs/dbraw/zinc/23/40/45/574234045.db2.gz MDVRKCAKAJLTDZ-UHFFFAOYSA-N 0 1 278.400 2.860 20 30 CFEDMN C#CCN1CCC[C@@H]1COC(=O)c1ccc(SC)cc1 ZINC000756544822 574245867 /nfs/dbraw/zinc/24/58/67/574245867.db2.gz WYNJIIVCHYHFSO-CQSZACIVSA-N 0 1 289.400 2.663 20 30 CFEDMN C#CCN1CCC[C@@H]1COC(=O)c1cccc(Cl)c1 ZINC000756546409 574245909 /nfs/dbraw/zinc/24/59/09/574245909.db2.gz ZQOZBWBYOVMYEH-CQSZACIVSA-N 0 1 277.751 2.594 20 30 CFEDMN N#CCCCC[N@@H+]1CCC[C@@H]([C@@H]2CCCN2C(=O)[O-])C1 ZINC000740306353 574245992 /nfs/dbraw/zinc/24/59/92/574245992.db2.gz FJRKLLWQWPMVHW-KGLIPLIRSA-N 0 1 279.384 2.535 20 30 CFEDMN N#CCCCC[N@@H+]1CCCC[C@H]1[C@@H]1CCCN1C(=O)[O-] ZINC000740307184 574246508 /nfs/dbraw/zinc/24/65/08/574246508.db2.gz QAENWRHLUHWWLT-KBPBESRZSA-N 0 1 279.384 2.677 20 30 CFEDMN C#CCN1CCC[C@H]1COC(=O)C1(c2cccc(C)c2)CC1 ZINC000756554299 574247184 /nfs/dbraw/zinc/24/71/84/574247184.db2.gz WVOGGPSVECPORK-KRWDZBQOSA-N 0 1 297.398 2.667 20 30 CFEDMN Fc1ccc(N=NCc2ccc(Br)cn2)nc1 ZINC000733747426 574254893 /nfs/dbraw/zinc/25/48/93/574254893.db2.gz LXDAZPFSPDKEDL-UHFFFAOYSA-N 0 1 295.115 2.824 20 30 CFEDMN CC(N=Nc1cnnc2ccccc12)c1cccnc1 ZINC000733750304 574255255 /nfs/dbraw/zinc/25/52/55/574255255.db2.gz SSZZXWACRHFLFI-UHFFFAOYSA-N 0 1 263.304 2.861 20 30 CFEDMN COC(=O)/C(C)=C/CN(Cc1ccc(C#N)cc1)C1CC1 ZINC000748815419 574268845 /nfs/dbraw/zinc/26/88/45/574268845.db2.gz MVLGCQQSMAFKIB-UKTHLTGXSA-N 0 1 284.359 2.642 20 30 CFEDMN CCc1cccc(NC(=O)CNCc2ccc(C#N)s2)c1 ZINC000749110465 574280293 /nfs/dbraw/zinc/28/02/93/574280293.db2.gz HWYZTQKFVPDZKZ-UHFFFAOYSA-N 0 1 299.399 2.910 20 30 CFEDMN Fc1ccc2c(c1)CCC2=NNCCN1CCCCC1 ZINC000734299051 574280933 /nfs/dbraw/zinc/28/09/33/574280933.db2.gz PMFNGWUPVILOIV-UHFFFAOYSA-N 0 1 275.371 2.552 20 30 CFEDMN c1nn(-c2ccccc2)cc1CN=Nc1ccccn1 ZINC000725727308 574288462 /nfs/dbraw/zinc/28/84/62/574288462.db2.gz MYKOGQPGEKRROV-UHFFFAOYSA-N 0 1 263.304 2.713 20 30 CFEDMN C=CC[C@H](NC(=O)c1[nH]nc2c1CCCC2)c1ccncc1 ZINC000734457785 574288882 /nfs/dbraw/zinc/28/88/82/574288882.db2.gz OTMSVUMHILXAOV-AWEZNQCLSA-N 0 1 296.374 2.731 20 30 CFEDMN CCCCCCCCOCC(=O)N1CCN(C(C)C)CC1 ZINC000741666139 574298135 /nfs/dbraw/zinc/29/81/35/574298135.db2.gz DCOYXEXHXDZMGR-UHFFFAOYSA-N 0 1 298.471 2.916 20 30 CFEDMN N#Cc1cc(CN2CCC[C@@H]2C[C@@H](O)c2ccco2)ccn1 ZINC000749522520 574299019 /nfs/dbraw/zinc/29/90/19/574299019.db2.gz BAGSBUYGBWSVPS-HZPDHXFCSA-N 0 1 297.358 2.634 20 30 CFEDMN C=CCN(Cn1nccc1-c1cccnc1)C(C)C ZINC000725770102 574305726 /nfs/dbraw/zinc/30/57/26/574305726.db2.gz QBCBTPABAAUOHP-UHFFFAOYSA-N 0 1 256.353 2.799 20 30 CFEDMN Cc1ccc(C)c(C=NN=c2cc[nH]c(N(C)C)n2)c1 ZINC000739418021 574308602 /nfs/dbraw/zinc/30/86/02/574308602.db2.gz JHBRQJWYOUPMDS-UHFFFAOYSA-N 0 1 269.352 2.605 20 30 CFEDMN CC(=NN[C@@H](C)CO)c1ccc(N2CCCCC2)c(F)c1 ZINC000749813912 574310686 /nfs/dbraw/zinc/31/06/86/574310686.db2.gz GXBLQFMSXMLWOF-LBPRGKRZSA-N 0 1 293.386 2.510 20 30 CFEDMN CC[C@H](C)CN(C)c1ccc(F)cc1C=NN[C@@H](C)CO ZINC000749817573 574310776 /nfs/dbraw/zinc/31/07/76/574310776.db2.gz KFUFKBFYCVQEGP-STQMWFEESA-N 0 1 295.402 2.612 20 30 CFEDMN C#CCOc1cccc(NC(=O)CN2[C@H](C)CC[C@H]2C)c1 ZINC000742252903 574321583 /nfs/dbraw/zinc/32/15/83/574321583.db2.gz PDEUBCDOQMFOBY-ZIAGYGMSSA-N 0 1 286.375 2.510 20 30 CFEDMN C=CCC[N@H+](CC)[C@@H](C)c1ccc(-c2nn[nH]n2)cc1 ZINC000735413681 574322526 /nfs/dbraw/zinc/32/25/26/574322526.db2.gz XGPYOUOQSORJFF-LBPRGKRZSA-N 0 1 271.368 2.826 20 30 CFEDMN Cc1cccc(F)c1CNCc1cnc2ccc(C#N)cn12 ZINC000742381021 574326100 /nfs/dbraw/zinc/32/61/00/574326100.db2.gz VDSXVUJGBYSZJP-UHFFFAOYSA-N 0 1 294.333 2.943 20 30 CFEDMN CCOCCCC(=O)[C@H](C#N)c1nc2cccc(C)c2[nH]1 ZINC000735791393 574335510 /nfs/dbraw/zinc/33/55/10/574335510.db2.gz XVQNMLXFYRRPJR-LBPRGKRZSA-N 0 1 285.347 2.864 20 30 CFEDMN Cc1cccc2nc([C@@H](C#N)C(=O)C[C@@H]3CCCO3)[nH]c21 ZINC000735792941 574335757 /nfs/dbraw/zinc/33/57/57/574335757.db2.gz PBJUFUFXVSSCHM-RYUDHWBXSA-N 0 1 283.331 2.617 20 30 CFEDMN C=CCCC[N@@H+]1CCN(c2ccc(C(=O)[O-])cc2)C[C@H]1C ZINC000736102114 574349950 /nfs/dbraw/zinc/34/99/50/574349950.db2.gz ALJSWJIYHPLTBG-CQSZACIVSA-N 0 1 288.391 2.862 20 30 CFEDMN C[C@@H](C(=O)C(C#N)C(=O)NC1CCCCC1)C1CCCC1 ZINC000750683466 574350988 /nfs/dbraw/zinc/35/09/88/574350988.db2.gz DXTCSVAALLLZAQ-IUODEOHRSA-N 0 1 290.407 2.970 20 30 CFEDMN Cc1cc(C(C#N)C(=O)CCC2CCC2)nc(C)n1 ZINC000750684749 574351123 /nfs/dbraw/zinc/35/11/23/574351123.db2.gz UARQYEDFTNBKLK-CYBMUJFWSA-N 0 1 257.337 2.850 20 30 CFEDMN CC(=NNCCN1CCCCC1)c1ccc2c(c1)COC2 ZINC000743439510 574364410 /nfs/dbraw/zinc/36/44/10/574364410.db2.gz ZDYWPPKHKUQXFY-UHFFFAOYSA-N 0 1 287.407 2.516 20 30 CFEDMN Cc1nn(C)c(C)c1CN=Nc1cccc(F)c1F ZINC000743443889 574365025 /nfs/dbraw/zinc/36/50/25/574365025.db2.gz WEXZCUFYLHSBKR-UHFFFAOYSA-N 0 1 264.279 2.761 20 30 CFEDMN Cn1nnc2cc(/C=C\C(=O)c3ccc(O)c(F)c3)ccc21 ZINC000751031384 574368583 /nfs/dbraw/zinc/36/85/83/574368583.db2.gz ILGVANXXZDXBNU-UTCJRWHESA-N 0 1 297.289 2.709 20 30 CFEDMN CCCCNN=CC1(CN2CCOCC2)CCCCC1 ZINC000751130327 574369817 /nfs/dbraw/zinc/36/98/17/574369817.db2.gz ISYXJZJBIQJINF-UHFFFAOYSA-N 0 1 281.444 2.645 20 30 CFEDMN Cc1cc(C(C#N)C(=O)CC[C@H]2CC[C@@H](C)O2)nc(C)n1 ZINC000744025599 574375786 /nfs/dbraw/zinc/37/57/86/574375786.db2.gz DYNAFUDDVHOSKM-BNOWGMLFSA-N 0 1 287.363 2.617 20 30 CFEDMN Cc1cc(C(C#N)C(=O)CC[C@H]2CC[C@H](C)O2)nc(C)n1 ZINC000744025602 574375971 /nfs/dbraw/zinc/37/59/71/574375971.db2.gz DYNAFUDDVHOSKM-YUTCNCBUSA-N 0 1 287.363 2.617 20 30 CFEDMN Cc1ccncc1/C=C\C(=O)Nc1cc(C#N)ccc1O ZINC000752680160 574393551 /nfs/dbraw/zinc/39/35/51/574393551.db2.gz MLQFQZFUDHMTCP-HYXAFXHYSA-N 0 1 279.299 2.619 20 30 CFEDMN Cc1ccncc1/C=C/C(=O)Nc1cc(C#N)ccc1O ZINC000752680159 574393577 /nfs/dbraw/zinc/39/35/77/574393577.db2.gz MLQFQZFUDHMTCP-HWKANZROSA-N 0 1 279.299 2.619 20 30 CFEDMN Cc1cc(N)cc(C)c1C=NOCc1cccnc1 ZINC000752732581 574394127 /nfs/dbraw/zinc/39/41/27/574394127.db2.gz BPJYBDHIXMKLKD-UHFFFAOYSA-N 0 1 255.321 2.831 20 30 CFEDMN CCC#C[C@@H](C)N1CCCN(C(=O)OCC(C)C)CC1 ZINC000752853591 574395823 /nfs/dbraw/zinc/39/58/23/574395823.db2.gz CSWICFSWUYHDPK-OAHLLOKOSA-N 0 1 280.412 2.589 20 30 CFEDMN CC(C)CCNC(=S)NN=Cc1cccc(Cl)c1O ZINC000753159880 574399553 /nfs/dbraw/zinc/39/95/53/574399553.db2.gz AMKRBWYKZHXBRW-UHFFFAOYSA-N 0 1 299.827 2.890 20 30 CFEDMN O=c1[nH]ncc(NN=Cc2cccc(Cl)c2O)c1Cl ZINC000753164297 574399654 /nfs/dbraw/zinc/39/96/54/574399654.db2.gz ZKTYMAZIYLPILV-UHFFFAOYSA-N 0 1 299.117 2.641 20 30 CFEDMN Cc1cc(N=NCc2cnc(-c3ccccn3)s2)ncn1 ZINC000753166211 574399684 /nfs/dbraw/zinc/39/96/84/574399684.db2.gz ZTPLKZGFOHBOSX-UHFFFAOYSA-N 0 1 296.359 2.750 20 30 CFEDMN CN(CCC(=O)C(C)(C)C)Cc1cccc(C#N)c1 ZINC000753685483 574408004 /nfs/dbraw/zinc/40/80/04/574408004.db2.gz OROCECMJPMGYCF-UHFFFAOYSA-N 0 1 258.365 2.995 20 30 CFEDMN CCn1nccc1CN=Nc1cc(F)c(F)cc1F ZINC000753700921 574408140 /nfs/dbraw/zinc/40/81/40/574408140.db2.gz OBWYUXPDLSGTLE-UHFFFAOYSA-N 0 1 268.242 2.766 20 30 CFEDMN N#CCCCCNCc1csc(C(F)(F)F)n1 ZINC000892929697 618771631 /nfs/dbraw/zinc/77/16/31/618771631.db2.gz JSXWTGGJERMBKB-UHFFFAOYSA-N 0 1 263.288 2.945 20 30 CFEDMN CCCCCCC[NH2+]Cc1ccc(-c2nn[n-]n2)o1 ZINC000821055877 599394926 /nfs/dbraw/zinc/39/49/26/599394926.db2.gz IUNZVFOUDWHONT-UHFFFAOYSA-N 0 1 263.345 2.520 20 30 CFEDMN CC[N@@H+](CCCC(=O)[O-])[C@H](C)c1ccc(C#N)cc1 ZINC000737101215 600226277 /nfs/dbraw/zinc/22/62/77/600226277.db2.gz YODZJCLHKNCMHB-GFCCVEGCSA-N 0 1 260.337 2.806 20 30 CFEDMN C[N@@H+](Cc1cccc(C#N)c1)Cc1ccccc1C(=O)[O-] ZINC000061953798 600555821 /nfs/dbraw/zinc/55/58/21/600555821.db2.gz SWSVFSUEMYRPGM-UHFFFAOYSA-N 0 1 280.327 2.888 20 30 CFEDMN O=C([O-])[C@@H]1CCC[N@@H+]1CC#Cc1ccc(C(F)(F)F)cc1 ZINC000833189987 601420092 /nfs/dbraw/zinc/42/00/92/601420092.db2.gz FQBVFJKFOJLCQZ-ZDUSSCGKSA-N 0 1 297.276 2.606 20 30 CFEDMN O=C([O-])[C@@H]1CCC[N@H+]1CC#Cc1ccc(C(F)(F)F)cc1 ZINC000833189987 601420093 /nfs/dbraw/zinc/42/00/93/601420093.db2.gz FQBVFJKFOJLCQZ-ZDUSSCGKSA-N 0 1 297.276 2.606 20 30 CFEDMN N#C[C@H](c1ccccc1)[C@@H]1CCC[N@@H+]1CCCC(=O)[O-] ZINC000821320784 601429447 /nfs/dbraw/zinc/42/94/47/601429447.db2.gz YNUXDPVYVOLMNW-CABCVRRESA-N 0 1 272.348 2.623 20 30 CFEDMN CCOc1ccc(C#N)cc1NC(=O)c1[nH]c(C)nc1C ZINC000900360979 620664821 /nfs/dbraw/zinc/66/48/21/620664821.db2.gz VVFRCBJLVSXRFS-UHFFFAOYSA-N 0 1 284.319 2.549 20 30 CFEDMN C[C@H]1CCc2[nH]ncc2[C@H]1C(=O)N(C)c1cccc(C#N)c1 ZINC000900377458 620666897 /nfs/dbraw/zinc/66/68/97/620666897.db2.gz TWOWBLIIPIOPTM-ZBEGNZNMSA-N 0 1 294.358 2.610 20 30 CFEDMN C[C@@H]1CCc2[nH]ncc2[C@@H]1C(=O)N(C)c1cccc(C#N)c1 ZINC000900377455 620666947 /nfs/dbraw/zinc/66/69/47/620666947.db2.gz TWOWBLIIPIOPTM-BDJLRTHQSA-N 0 1 294.358 2.610 20 30 CFEDMN C=CCOc1ccccc1C[N@@H+](CC)CCC(=O)[O-] ZINC000833378992 604596341 /nfs/dbraw/zinc/59/63/41/604596341.db2.gz SPSUYXLCRAJIBA-UHFFFAOYSA-N 0 1 263.337 2.548 20 30 CFEDMN C=CCOc1ccc(C[N@@H+](C)C(C)(C)C(=O)[O-])cc1OC ZINC000833377809 604626601 /nfs/dbraw/zinc/62/66/01/604626601.db2.gz OEHKYSSDPPTASN-UHFFFAOYSA-N 0 1 293.363 2.555 20 30 CFEDMN C[C@@H]1C[N@@H+](Cc2ccccc2C(C)(C)C#N)C[C@@H]1C(=O)[O-] ZINC000828464328 604675238 /nfs/dbraw/zinc/67/52/38/604675238.db2.gz UCEGNDPDIBUNKL-OCCSQVGLSA-N 0 1 286.375 2.640 20 30 CFEDMN C#CC[N@H+](Cc1ccccc1C(=O)[O-])C1CCCC1 ZINC000688845617 604678405 /nfs/dbraw/zinc/67/84/05/604678405.db2.gz FKNMMAUAXMOZPN-UHFFFAOYSA-N 0 1 257.333 2.763 20 30 CFEDMN C=CCCCCC[N@H+](C)[C@H](C(=O)[O-])c1cccnc1 ZINC000833373743 604911354 /nfs/dbraw/zinc/91/13/54/604911354.db2.gz ASABUXHUJWYYLM-AWEZNQCLSA-N 0 1 262.353 2.886 20 30 CFEDMN C#CCCC[N@H+](CC(=O)[O-])Cc1ccc(Cl)cc1 ZINC000833361940 605201500 /nfs/dbraw/zinc/20/15/00/605201500.db2.gz SKTZIMZSNFJCRT-UHFFFAOYSA-N 0 1 265.740 2.640 20 30 CFEDMN C[C@H](CNC(=O)[O-])[N@@H+](C)Cc1ccccc1C(C)(C)C#N ZINC000824966318 605277437 /nfs/dbraw/zinc/27/74/37/605277437.db2.gz DDAGMBJXQVVFTD-GFCCVEGCSA-N 0 1 289.379 2.576 20 30 CFEDMN C[C@]1(C#N)CCC[N@H+](Cc2ccc(C(=O)[O-])cc2)C1 ZINC000820200061 605416110 /nfs/dbraw/zinc/41/61/10/605416110.db2.gz VFUQHZMJGHWNDH-OAHLLOKOSA-N 0 1 258.321 2.510 20 30 CFEDMN C[C@]1(C#N)CCC[N@@H+](Cc2ccc(C(=O)[O-])cc2)C1 ZINC000820200061 605416111 /nfs/dbraw/zinc/41/61/11/605416111.db2.gz VFUQHZMJGHWNDH-OAHLLOKOSA-N 0 1 258.321 2.510 20 30 CFEDMN C#Cc1cccc(N(CC)C(=O)c2[nH]c(C)nc2C)c1 ZINC000900562012 620688240 /nfs/dbraw/zinc/68/82/40/620688240.db2.gz KFZQSBVYOJKYGF-UHFFFAOYSA-N 0 1 267.332 2.675 20 30 CFEDMN C#Cc1cccc(N(C)C(=O)[C@@H]2c3cn[nH]c3CC[C@@H]2C)c1 ZINC000900560719 620688339 /nfs/dbraw/zinc/68/83/39/620688339.db2.gz AGQMBKZZEDRPKJ-SJCJKPOMSA-N 0 1 293.370 2.720 20 30 CFEDMN C=CC1(CC(=O)N[C@@H](C)c2n[nH]c(C)n2)CCCCC1 ZINC000935962250 649966812 /nfs/dbraw/zinc/96/68/12/649966812.db2.gz NBVFNZRUWLFTJN-NSHDSACASA-N 0 1 276.384 2.817 20 30 CFEDMN O=C(C=Cc1ccc(-c2nn[nH]n2)s1)c1ccccc1O ZINC000822929353 606857489 /nfs/dbraw/zinc/85/74/89/606857489.db2.gz SQXWDFHWXDTVIH-ALCCZGGFSA-N 0 1 298.327 2.530 20 30 CFEDMN Cc1nc(-c2nn[nH]n2)c(N=NC(C)CCCC(C)C)o1 ZINC000820242750 606988612 /nfs/dbraw/zinc/98/86/12/606988612.db2.gz QNIUVDXRROTWNZ-UHFFFAOYSA-N 0 1 291.359 2.777 20 30 CFEDMN C#CCCCCCC[N@@H+]1CC[C@H](C)C[C@H]1C(=O)[O-] ZINC000902012627 620957910 /nfs/dbraw/zinc/95/79/10/620957910.db2.gz SHCJKWAQYAENPL-KBPBESRZSA-N 0 1 251.370 2.755 20 30 CFEDMN C#CCCN1CCCN(C(=O)c2cc(C)sc2C)CC1 ZINC000981569873 613005375 /nfs/dbraw/zinc/00/53/75/613005375.db2.gz BYZZMNFUPDBFJN-UHFFFAOYSA-N 0 1 290.432 2.536 20 30 CFEDMN C#CCN(C)[C@@H]1CCN(C(=O)c2ccc(CCCC)cc2)C1 ZINC000971896499 613086081 /nfs/dbraw/zinc/08/60/81/613086081.db2.gz RTTPZFPKSYHAKO-GOSISDBHSA-N 0 1 298.430 2.809 20 30 CFEDMN C#CCN(C)[C@@H]1CCN(C(=O)c2cccc(C(C)C)c2)C1 ZINC000972667931 613086492 /nfs/dbraw/zinc/08/64/92/613086492.db2.gz PKKMESVLCIAORX-QGZVFWFLSA-N 0 1 284.403 2.590 20 30 CFEDMN C#CCN1CCCCC[C@@H]1CNC(=O)c1cc(C)cc(C)c1 ZINC000969126441 613146760 /nfs/dbraw/zinc/14/67/60/613146760.db2.gz CBHYBCAXXHILNE-GOSISDBHSA-N 0 1 298.430 2.911 20 30 CFEDMN C#CCN1CCCCC[C@H]1CNC(=O)[C@@H]1C[C@H]1C(C)(C)C ZINC000968946791 613148443 /nfs/dbraw/zinc/14/84/43/613148443.db2.gz HZLDVXSOWUJMEL-ARFHVFGLSA-N 0 1 290.451 2.663 20 30 CFEDMN C#Cc1ccc(C(=O)N(CC)C2CN(C[C@@H](C)CC)C2)cc1 ZINC000951117483 613167080 /nfs/dbraw/zinc/16/70/80/613167080.db2.gz UMQZOFJEMXVGOV-HNNXBMFYSA-N 0 1 298.430 2.860 20 30 CFEDMN C#CCN1CC[C@@H](NC(=O)C(C)(C)C2CCC2)C(C)(C)C1 ZINC000940919086 613222040 /nfs/dbraw/zinc/22/20/40/613222040.db2.gz WRIHKKGVUQYHLS-OAHLLOKOSA-N 0 1 290.451 2.663 20 30 CFEDMN C#CCN1CC[C@@H](NC(=O)C[C@H]2CC=CCC2)C(C)(C)C1 ZINC000940950345 613225987 /nfs/dbraw/zinc/22/59/87/613225987.db2.gz KMLWCKPFZVSAQQ-JKSUJKDBSA-N 0 1 288.435 2.583 20 30 CFEDMN C#CCN1CC[C@@H](NC(=O)c2ccc(C)cc2C)C(C)(C)C1 ZINC000941200466 613234995 /nfs/dbraw/zinc/23/49/95/613234995.db2.gz FNGAVNRVRPGMBA-QGZVFWFLSA-N 0 1 298.430 2.767 20 30 CFEDMN C#CCN1CC[C@@H](NC(=O)c2coc3ccccc23)C[C@@H]1C ZINC000948094002 613242518 /nfs/dbraw/zinc/24/25/18/613242518.db2.gz DGCRKGHMIFLNPD-UONOGXRCSA-N 0 1 296.370 2.649 20 30 CFEDMN C#CCN1CC[C@@H](NC(=O)c2coc3ccccc23)C[C@H]1C ZINC000948094003 613242992 /nfs/dbraw/zinc/24/29/92/613242992.db2.gz DGCRKGHMIFLNPD-ZIAGYGMSSA-N 0 1 296.370 2.649 20 30 CFEDMN C#CCN1CC[C@@H](NC(=O)c2cscc2Cl)C[C@H]1C ZINC000947427253 613243474 /nfs/dbraw/zinc/24/34/74/613243474.db2.gz YXZDQWATSSCAKH-GHMZBOCLSA-N 0 1 296.823 2.617 20 30 CFEDMN C#CCN1CC[C@@H](NC(=O)c2csc(C)c2C)C[C@H]1C ZINC000947344383 613243606 /nfs/dbraw/zinc/24/36/06/613243606.db2.gz VXJGTLOEFLGLSK-BXUZGUMPSA-N 0 1 290.432 2.581 20 30 CFEDMN C=C(C)CCN1CC(N(CC)C(=O)C2=CCCC2)C1 ZINC000949881381 613244478 /nfs/dbraw/zinc/24/44/78/613244478.db2.gz RBVOGTHFYDUHAF-UHFFFAOYSA-N 0 1 262.397 2.596 20 30 CFEDMN C#CCN1CC[C@@H](NC(=O)c2sc(C)cc2C)C[C@@H]1C ZINC000947351972 613245114 /nfs/dbraw/zinc/24/51/14/613245114.db2.gz IDJMVXUDSCCEBY-GXTWGEPZSA-N 0 1 290.432 2.581 20 30 CFEDMN C=C(C)CCN1CC(N(CC)C(=O)[C@@H]2C[C@H]2CCC)C1 ZINC000951711735 613245613 /nfs/dbraw/zinc/24/56/13/613245613.db2.gz KBHOKTYKMOUXLX-GDBMZVCRSA-N 0 1 278.440 2.922 20 30 CFEDMN C=C(C)CCN1CCN(C(=O)[C@@]2(C)CCC[C@@H]2C)CC1 ZINC000950332954 613259771 /nfs/dbraw/zinc/25/97/71/613259771.db2.gz YJAJAGPMIOKDPZ-RDJZCZTQSA-N 0 1 278.440 2.923 20 30 CFEDMN C=C(C)CCN1CCN(C(=O)[C@@H]2CC[C@@H]3C[C@@H]3CC2)CC1 ZINC000949421944 613260600 /nfs/dbraw/zinc/26/06/00/613260600.db2.gz ZUOVDJYCDHAQBT-OSYLJGHBSA-N 0 1 290.451 2.923 20 30 CFEDMN C=C(C)CCN1CCN(C(=O)[C@H]2CCC[C@@H]2CC)CC1 ZINC000950099367 613260614 /nfs/dbraw/zinc/26/06/14/613260614.db2.gz MROWFNJPXRJUMV-HOTGVXAUSA-N 0 1 278.440 2.923 20 30 CFEDMN C#CCN1CC[C@H](NC(=O)c2ccc(CC)s2)C[C@@H]1C ZINC000947516789 613268303 /nfs/dbraw/zinc/26/83/03/613268303.db2.gz XJQMARDTMZUOPO-STQMWFEESA-N 0 1 290.432 2.526 20 30 CFEDMN C#CCN1CC[C@H](NC(=O)c2ccccc2CC)C(C)(C)C1 ZINC000940984680 613270884 /nfs/dbraw/zinc/27/08/84/613270884.db2.gz NLWBWQONOBQKBK-KRWDZBQOSA-N 0 1 298.430 2.713 20 30 CFEDMN C#CCN1CC[C@H](NC(=O)c2csc(C)c2C)C[C@H]1C ZINC000947344385 613276861 /nfs/dbraw/zinc/27/68/61/613276861.db2.gz VXJGTLOEFLGLSK-RISCZKNCSA-N 0 1 290.432 2.581 20 30 CFEDMN C=C(C)CN1CC([C@H](C)NC(=O)c2cccc(F)c2F)C1 ZINC000970339094 613303490 /nfs/dbraw/zinc/30/34/90/613303490.db2.gz LVDGHIVEEDSMQO-NSHDSACASA-N 0 1 294.345 2.591 20 30 CFEDMN C=C(C)CN1CCCCC[C@@H]1CNC(=O)c1nccs1 ZINC000969087420 613306820 /nfs/dbraw/zinc/30/68/20/613306820.db2.gz ADAWZRGCHUIPIM-CYBMUJFWSA-N 0 1 293.436 2.694 20 30 CFEDMN C=C(C)CN1CCCN(C(=O)C(C)(C)C(C)C)CC1 ZINC000981236596 613307972 /nfs/dbraw/zinc/30/79/72/613307972.db2.gz JAZJEEGQNNHYSL-UHFFFAOYSA-N 0 1 266.429 2.779 20 30 CFEDMN C=C(C)CN1CCCN(C(=O)[C@@H]2CCC[C@H]2CC)CC1 ZINC000981895313 613309371 /nfs/dbraw/zinc/30/93/71/613309371.db2.gz MUSLSXKQBRJXJZ-HZPDHXFCSA-N 0 1 278.440 2.923 20 30 CFEDMN C=C(C)CN1CCCN(C(=O)[C@@H]2C[C@H]2CC(C)C)CC1 ZINC000981989809 613310321 /nfs/dbraw/zinc/31/03/21/613310321.db2.gz IJGMLBAWEWFYES-HZPDHXFCSA-N 0 1 278.440 2.779 20 30 CFEDMN C=C(C)CN1CCCN(C(=O)[C@H]2CCC2(C)C)CC1 ZINC000981792003 613310912 /nfs/dbraw/zinc/31/09/12/613310912.db2.gz BXRTYRXVZPTOBZ-CQSZACIVSA-N 0 1 264.413 2.533 20 30 CFEDMN C=C(C)CN1CCCN(C(=O)c2c[nH]cc2C2CC2)CC1 ZINC000983198552 613311370 /nfs/dbraw/zinc/31/13/70/613311370.db2.gz QGYNESIJMYGJRP-UHFFFAOYSA-N 0 1 287.407 2.616 20 30 CFEDMN C=C(C)CN1CCCN(C(=O)[C@]2(C)CCC[C@H]2C)CC1 ZINC000981896165 613311501 /nfs/dbraw/zinc/31/15/01/613311501.db2.gz GTUZRFYOEYTRGA-NVXWUHKLSA-N 0 1 278.440 2.923 20 30 CFEDMN C=C(C)CN1CCCN(C(=O)c2conc2C(C)C)CC1 ZINC000981317592 613313111 /nfs/dbraw/zinc/31/31/11/613313111.db2.gz XQIYWWCXMUTICP-UHFFFAOYSA-N 0 1 291.395 2.522 20 30 CFEDMN C=C(C)CN1CC[C@H](C)[C@H](NC(=O)C2(F)CCCC2)C1 ZINC000967033426 613333286 /nfs/dbraw/zinc/33/32/86/613333286.db2.gz OYJKMKMEJVRJSI-UONOGXRCSA-N 0 1 282.403 2.671 20 30 CFEDMN C=C(C)CN1C[C@H](NC(=O)c2ccc(F)s2)C(C)(C)C1 ZINC000977640845 613342039 /nfs/dbraw/zinc/34/20/39/613342039.db2.gz NWUOORZAAYCTDY-LBPRGKRZSA-N 0 1 296.411 2.904 20 30 CFEDMN C=C(C)CN1C[C@H](NC(=O)c2ccoc2C)C(C)(C)C1 ZINC000972794355 613342423 /nfs/dbraw/zinc/34/24/23/613342423.db2.gz OEVKECNBEWJLNV-AWEZNQCLSA-N 0 1 276.380 2.604 20 30 CFEDMN C=C(Cl)CN1CCC[C@H](N(C)C(=O)[C@H]2CC23CC3)CC1 ZINC000948810053 613374366 /nfs/dbraw/zinc/37/43/66/613374366.db2.gz YVMRGJITZGMQIV-UONOGXRCSA-N 0 1 296.842 2.852 20 30 CFEDMN C=C(Cl)CN1CCC[C@H](N(C)C(=O)C2(C)CC2)CC1 ZINC000948397593 613374395 /nfs/dbraw/zinc/37/43/95/613374395.db2.gz WZZMXGOBZDKEQY-ZDUSSCGKSA-N 0 1 284.831 2.852 20 30 CFEDMN C=C(Cl)CN[C@@H]1CCN(C(=O)C(C)(C)C2CCC2)C1 ZINC000969482337 613384397 /nfs/dbraw/zinc/38/43/97/613384397.db2.gz NDOMPPFJEGKZJK-CYBMUJFWSA-N 0 1 284.831 2.756 20 30 CFEDMN C=C(Cl)CN[C@@H]1CCN(C(=O)[C@H]2CC23CCCC3)C1 ZINC000970412477 613385134 /nfs/dbraw/zinc/38/51/34/613385134.db2.gz URKROEYQXTTXCL-CHWSQXEVSA-N 0 1 282.815 2.510 20 30 CFEDMN C=C(Cl)CN[C@@H]1CCN(C(=O)[C@H](C)C(C)(C)C)C1 ZINC000969095323 613385256 /nfs/dbraw/zinc/38/52/56/613385256.db2.gz QXGFFGSHUAXMNR-NWDGAFQWSA-N 0 1 272.820 2.612 20 30 CFEDMN C=C(Cl)CN[C@@H]1CCN(C(=O)c2ccc(F)cc2C)C1 ZINC000970532538 613385664 /nfs/dbraw/zinc/38/56/64/613385664.db2.gz AKVZHBLEQPQTLJ-CYBMUJFWSA-N 0 1 296.773 2.691 20 30 CFEDMN C=C(Cl)CN[C@@H]1CCN(C(=O)c2ccc(C)c(C)c2)C1 ZINC000970627126 613385719 /nfs/dbraw/zinc/38/57/19/613385719.db2.gz UXODRXGPEJLXQR-OAHLLOKOSA-N 0 1 292.810 2.860 20 30 CFEDMN C=C(Cl)CN[C@@H]1CCN(C(=O)c2cscc2C)C1 ZINC000968346903 613386107 /nfs/dbraw/zinc/38/61/07/613386107.db2.gz LASVTSRMKGVTEY-LLVKDONJSA-N 0 1 284.812 2.613 20 30 CFEDMN C=C(Cl)CN[C@@H]1CN(C(=O)C(C2CC2)C2CC2)C[C@@H]1C ZINC000939497763 613386365 /nfs/dbraw/zinc/38/63/65/613386365.db2.gz AWTDDJVENHSHKX-IINYFYTJSA-N 0 1 296.842 2.612 20 30 CFEDMN C=C(Cl)CN[C@@H]1CN(C(=O)c2occc2CC)C[C@@H]1C ZINC000939074371 613386423 /nfs/dbraw/zinc/38/64/23/613386423.db2.gz YDPIHWXUULDZNC-GXFFZTMASA-N 0 1 296.798 2.645 20 30 CFEDMN C=C(Cl)CN[C@H]1CN(C(=O)C2CCC=CCC2)C[C@@H]1C ZINC000939775943 613386950 /nfs/dbraw/zinc/38/69/50/613386950.db2.gz JQKFASSGKLPECR-WFASDCNBSA-N 0 1 296.842 2.922 20 30 CFEDMN C=C(Cl)CN[C@H]1CN(C(=O)c2ccc(C)cc2)C[C@@H]1C ZINC000939602745 613387098 /nfs/dbraw/zinc/38/70/98/613387098.db2.gz PEJRRRPJNAALIV-WFASDCNBSA-N 0 1 292.810 2.798 20 30 CFEDMN C=C1CCC(C(=O)N[C@@H]2CN(CC#CC)CC2(C)C)CC1 ZINC000975009328 613410679 /nfs/dbraw/zinc/41/06/79/613410679.db2.gz HNDHXMAYMZPJIK-MRXNPFEDSA-N 0 1 288.435 2.583 20 30 CFEDMN C=CCn1cccc1C(=O)N(CC)C1CN(CCCC)C1 ZINC000950512399 613436155 /nfs/dbraw/zinc/43/61/55/613436155.db2.gz GOBHTKRSZNJLLR-UHFFFAOYSA-N 0 1 289.423 2.621 20 30 CFEDMN C=C[C@](C)(CC)C(=O)N1CCN(CC2CC(C)C2)CC1 ZINC000950051343 613502401 /nfs/dbraw/zinc/50/24/01/613502401.db2.gz MHIKQKILLVRZPQ-VMBOVVBDSA-N 0 1 278.440 2.779 20 30 CFEDMN C=CCCN1CCN(C(=O)CCc2ccccc2C)CC1 ZINC000950714576 613502986 /nfs/dbraw/zinc/50/29/86/613502986.db2.gz BRVVCKZNRORQAS-UHFFFAOYSA-N 0 1 286.419 2.648 20 30 CFEDMN C=CCCN1CCN(C(=O)C[C@@H]2CCCC[C@@H]2C)CC1 ZINC000957867255 613503879 /nfs/dbraw/zinc/50/38/79/613503879.db2.gz HJYCMCICKFCXHH-HOTGVXAUSA-N 0 1 278.440 2.923 20 30 CFEDMN C=CCCN1CCN(C(=O)[C@H]2CC[C@@H]3C[C@@H]3CC2)CC1 ZINC000949416814 613506465 /nfs/dbraw/zinc/50/64/65/613506465.db2.gz GVYNYQZIXGEVTB-MUJYYYPQSA-N 0 1 276.424 2.533 20 30 CFEDMN C=CCCN1CCN(C(=O)[C@H](C)c2ccsc2)CC1 ZINC000950457772 613507391 /nfs/dbraw/zinc/50/73/91/613507391.db2.gz SLGAEUABQRJEMT-CYBMUJFWSA-N 0 1 278.421 2.572 20 30 CFEDMN C=CCCN1CCN(C(=O)c2cc3cc(C)ccc3[nH]2)CC1 ZINC000949593694 613510186 /nfs/dbraw/zinc/51/01/86/613510186.db2.gz GBTCXRYVALIXHY-UHFFFAOYSA-N 0 1 297.402 2.810 20 30 CFEDMN C=CCCN1CCN(C(=O)c2cccc3cnccc32)CC1 ZINC000957659111 613510770 /nfs/dbraw/zinc/51/07/70/613510770.db2.gz BELOMOGUDVOWRA-UHFFFAOYSA-N 0 1 295.386 2.569 20 30 CFEDMN C=CCCN1CCN(C(=O)c2cccc(C)c2Cl)CC1 ZINC000952323612 613510782 /nfs/dbraw/zinc/51/07/82/613510782.db2.gz ZLMMXZHIYLGANN-UHFFFAOYSA-N 0 1 292.810 2.982 20 30 CFEDMN C=CCCN1CCN(C(=O)c2cccc3ncccc32)CC1 ZINC000949551432 613511105 /nfs/dbraw/zinc/51/11/05/613511105.db2.gz NKPJFJBRWSKXED-UHFFFAOYSA-N 0 1 295.386 2.569 20 30 CFEDMN CC#CCN1CC([C@H](C)NC(=O)[C@@H]2CCCC(C)(C)C2)C1 ZINC000970939397 613536282 /nfs/dbraw/zinc/53/62/82/613536282.db2.gz WCFORKVUNVAMLN-LSDHHAIUSA-N 0 1 290.451 2.663 20 30 CFEDMN CC#CCN1CCCCC[C@@H]1CNC(=O)c1cc(C)co1 ZINC000968998517 613545280 /nfs/dbraw/zinc/54/52/80/613545280.db2.gz YCOXHNSOJAHZCP-OAHLLOKOSA-N 0 1 288.391 2.586 20 30 CFEDMN CC#CCN1CCCCC[C@H]1CNC(=O)c1ccc(C)o1 ZINC000968736053 613546464 /nfs/dbraw/zinc/54/64/64/613546464.db2.gz ZFQGLMPLLKZOFQ-HNNXBMFYSA-N 0 1 288.391 2.586 20 30 CFEDMN CC#CCN1CC[C@@H](C)[C@H](NC(=O)c2c(C)cccc2C)C1 ZINC000968345980 613575101 /nfs/dbraw/zinc/57/51/01/613575101.db2.gz QIPGYQPGFYSFIN-RHSMWYFYSA-N 0 1 298.430 2.767 20 30 CFEDMN CC#CCN1CC[C@H](C)[C@@H](NC(=O)C2C(C)(C)C2(C)C)C1 ZINC000965863645 613590793 /nfs/dbraw/zinc/59/07/93/613590793.db2.gz RPWBVCVYXMULMA-KBPBESRZSA-N 0 1 290.451 2.519 20 30 CFEDMN CC#CCN1C[C@@H](NC(=O)c2ccc(C)c(C)c2)C(C)(C)C1 ZINC000977566596 613611504 /nfs/dbraw/zinc/61/15/04/613611504.db2.gz XTXAJXVUVIMBFQ-QGZVFWFLSA-N 0 1 298.430 2.767 20 30 CFEDMN CC#CCN1C[C@H](NC(=O)[C@H]2CCC(C)(C)C2)C(C)(C)C1 ZINC000975013325 613622521 /nfs/dbraw/zinc/62/25/21/613622521.db2.gz ALMFJYFZHAAMHP-GJZGRUSLSA-N 0 1 290.451 2.663 20 30 CFEDMN C=CCN1CC([C@@H](C)NC(=O)[C@H]2CCCCC2(C)C)C1 ZINC000970939873 613662961 /nfs/dbraw/zinc/66/29/61/613662961.db2.gz ZCRCISWFXGYIDM-UKRRQHHQSA-N 0 1 278.440 2.825 20 30 CFEDMN C=CCN1CC([C@@H](C)NC(=O)c2cccc(Cl)c2)C1 ZINC000970784185 613666118 /nfs/dbraw/zinc/66/61/18/613666118.db2.gz PEACNERDXAAEOZ-LLVKDONJSA-N 0 1 278.783 2.576 20 30 CFEDMN C=CCN1CC([C@@H](C)NC(=O)c2csc(Cl)c2)C1 ZINC000970529111 613667574 /nfs/dbraw/zinc/66/75/74/613667574.db2.gz MDWVGBMYYGUOKP-SECBINFHSA-N 0 1 284.812 2.638 20 30 CFEDMN C=CCN1CC([C@@H](C)NC(=O)c2scc(C)c2Cl)C1 ZINC000969740473 613668277 /nfs/dbraw/zinc/66/82/77/613668277.db2.gz WXMWYWJGKQDJIU-SNVBAGLBSA-N 0 1 298.839 2.946 20 30 CFEDMN C=CCN1CC([C@H](C)NC(=O)c2ccc(Cl)cc2C)C1 ZINC000970368387 613671608 /nfs/dbraw/zinc/67/16/08/613671608.db2.gz DGXWDTWGQSDMGM-LBPRGKRZSA-N 0 1 292.810 2.885 20 30 CFEDMN C=CCN1CC([C@H](C)NC(=O)c2csc(C)c2C)C1 ZINC000969745790 613673774 /nfs/dbraw/zinc/67/37/74/613673774.db2.gz ZCGVWZQSKVSOEZ-NSHDSACASA-N 0 1 278.421 2.601 20 30 CFEDMN C=CCN1CCCN(C(=O)C(C)(C)c2cccs2)CC1 ZINC000981735138 613687836 /nfs/dbraw/zinc/68/78/36/613687836.db2.gz BKIUJUHIXXRKOS-UHFFFAOYSA-N 0 1 292.448 2.746 20 30 CFEDMN C=CCN1CCCN(C(=O)[C@@H]2[C@H](C=C(C)C)C2(C)C)CC1 ZINC000981587580 613692453 /nfs/dbraw/zinc/69/24/53/613692453.db2.gz LGHLDWHATGDKBE-HOTGVXAUSA-N 0 1 290.451 2.945 20 30 CFEDMN C=CCN1CCCN(C(=O)[C@@]2(C)CCC[C@H]2C)CC1 ZINC000981898108 613692978 /nfs/dbraw/zinc/69/29/78/613692978.db2.gz HFLCDIBXXKLERJ-ZBFHGGJFSA-N 0 1 264.413 2.533 20 30 CFEDMN C=CCN1CCCN(C(=O)[C@H]2CCCC3(CC3)C2)CC1 ZINC000981156630 613693556 /nfs/dbraw/zinc/69/35/56/613693556.db2.gz HMZGSJSXJMPOMP-HNNXBMFYSA-N 0 1 276.424 2.677 20 30 CFEDMN C=CCN1CCCN(C(=O)[C@H]2CCC[C@H](C)C2)CC1 ZINC000981844592 613694949 /nfs/dbraw/zinc/69/49/49/613694949.db2.gz FDKBKKNTKVUGLE-GJZGRUSLSA-N 0 1 264.413 2.533 20 30 CFEDMN C=CCN1CCCN(C(=O)c2cnc3ccccc3c2)CC1 ZINC000982033685 613699272 /nfs/dbraw/zinc/69/92/72/613699272.db2.gz SNDCCWJKPLYAAQ-UHFFFAOYSA-N 0 1 295.386 2.569 20 30 CFEDMN C=CCN1CC[C@@H](C)[C@@H](NC(=O)C2C(C)(C)C2(C)C)C1 ZINC000965862341 613727199 /nfs/dbraw/zinc/72/71/99/613727199.db2.gz OUYHCKCRROLUDW-OLZOCXBDSA-N 0 1 278.440 2.681 20 30 CFEDMN C=CCN1CC[C@@H](C)[C@@H](NC(=O)C23CCC(CC2)CC3)C1 ZINC000968678932 613727691 /nfs/dbraw/zinc/72/76/91/613727691.db2.gz WEHSJACNKAFLNJ-CTMQZQKCSA-N 0 1 290.451 2.969 20 30 CFEDMN C=CCN1CC[C@@H](C)[C@@H](NC(=O)C2CCC3(CC3)CC2)C1 ZINC000967402018 613727865 /nfs/dbraw/zinc/72/78/65/613727865.db2.gz KZLISXAZMSVPOC-ZBFHGGJFSA-N 0 1 290.451 2.969 20 30 CFEDMN C=CCN1CC[C@@H](C)[C@@H](NC(=O)c2cc[nH]c2CCC)C1 ZINC000967941909 613729812 /nfs/dbraw/zinc/72/98/12/613729812.db2.gz GAWIOBNUZDMRES-CJNGLKHVSA-N 0 1 289.423 2.593 20 30 CFEDMN C=CCN1CC[C@@H](C)[C@@H](NC(=O)c2ccc(Cl)o2)C1 ZINC000965177051 613730180 /nfs/dbraw/zinc/73/01/80/613730180.db2.gz KTJMZQIAHCBBFC-MNOVXSKESA-N 0 1 282.771 2.559 20 30 CFEDMN C=CCN1CC[C@@H](C)[C@H](NC(=O)c2[nH]ccc2C2CC2)C1 ZINC000966636054 613733321 /nfs/dbraw/zinc/73/33/21/613733321.db2.gz UVZXWGFEYXZWSG-IUODEOHRSA-N 0 1 287.407 2.518 20 30 CFEDMN C=CCN1CC[C@@H](C)[C@H](NC(=O)c2ccc(C)cc2F)C1 ZINC000968354288 613734273 /nfs/dbraw/zinc/73/42/73/613734273.db2.gz PXLRADGZWMWOPF-CZUORRHYSA-N 0 1 290.382 2.760 20 30 CFEDMN C=CCN1CC[C@@H](C)[C@H](NC(=O)c2ccc(C)cc2C)C1 ZINC000968610452 613734675 /nfs/dbraw/zinc/73/46/75/613734675.db2.gz QHTUWDVIIWNYFW-RHSMWYFYSA-N 0 1 286.419 2.930 20 30 CFEDMN C=CCN1CC[C@@H](C)[C@H](NC(=O)c2ccnc(C3CC3)c2)C1 ZINC000967265517 613735111 /nfs/dbraw/zinc/73/51/11/613735111.db2.gz VRZQFYQCWYXJHS-CXAGYDPISA-N 0 1 299.418 2.585 20 30 CFEDMN C=CCN1CC[C@@H](C)[C@H](NC(=O)c2ccn3ccccc23)C1 ZINC000967314662 613735165 /nfs/dbraw/zinc/73/51/65/613735165.db2.gz PAPBOTXZIFZRJS-GDBMZVCRSA-N 0 1 297.402 2.566 20 30 CFEDMN C=CCN1CC[C@@H](C)[C@H](NC(=O)c2ccccc2CC)C1 ZINC000968036093 613735590 /nfs/dbraw/zinc/73/55/90/613735590.db2.gz QJYHWPSGFMIBNB-RHSMWYFYSA-N 0 1 286.419 2.875 20 30 CFEDMN C=CCN1CC[C@@H](C)[C@H](NC(=O)c2cccc3cc[nH]c32)C1 ZINC000968344953 613735632 /nfs/dbraw/zinc/73/56/32/613735632.db2.gz FPUMHBSLZZHWBO-CZUORRHYSA-N 0 1 297.402 2.794 20 30 CFEDMN C=CCN1CC[C@H](C)[C@@H](NC(=O)C2(C3CCC3)CCC2)C1 ZINC000967497793 613767028 /nfs/dbraw/zinc/76/70/28/613767028.db2.gz OBESCBJZVFPKGX-HOCLYGCPSA-N 0 1 290.451 2.969 20 30 CFEDMN C=CCN1CC[C@H](C)[C@@H](NC(=O)c2cc(C)c(C)o2)C1 ZINC000965909682 613767958 /nfs/dbraw/zinc/76/79/58/613767958.db2.gz HEQVORLBAQXJCQ-FZMZJTMJSA-N 0 1 276.380 2.523 20 30 CFEDMN C=CCN1CC[C@H](C)[C@@H](NC(=O)c2ccc3c(c2)CCC3)C1 ZINC000968634926 613769223 /nfs/dbraw/zinc/76/92/23/613769223.db2.gz BYQXKCCWEBUUHP-KSSFIOAISA-N 0 1 298.430 2.802 20 30 CFEDMN C=CCN1CC[C@H](C)[C@H](NC(=O)c2cccc(F)c2C)C1 ZINC000966240851 613774276 /nfs/dbraw/zinc/77/42/76/613774276.db2.gz ZNJLNCLFAUXDDS-BLLLJJGKSA-N 0 1 290.382 2.760 20 30 CFEDMN C=CCN1CC[C@H](C)[C@H](NC(=O)c2csc(C)c2)C1 ZINC000968418422 613775493 /nfs/dbraw/zinc/77/54/93/613775493.db2.gz KMPAFFOFSDDHAJ-SMDDNHRTSA-N 0 1 278.421 2.683 20 30 CFEDMN C=CCN1CC[C@H](C)[C@H](NC(=O)c2csc(C)c2C)C1 ZINC000966328527 613775862 /nfs/dbraw/zinc/77/58/62/613775862.db2.gz RBYXFQYPVSCJMN-XHDPSFHLSA-N 0 1 292.448 2.991 20 30 CFEDMN C=CCN1C[C@@H](NC(=O)c2cc(F)cc(F)c2)C(C)(C)C1 ZINC000977552691 613810037 /nfs/dbraw/zinc/81/00/37/613810037.db2.gz OJTCVQROOOPNGS-CQSZACIVSA-N 0 1 294.345 2.591 20 30 CFEDMN C=CCN1C[C@@H](NC(=O)c2cccc(Cl)c2)C(C)(C)C1 ZINC000977507132 613811252 /nfs/dbraw/zinc/81/12/52/613811252.db2.gz CKCPOMBXXUFRJA-CQSZACIVSA-N 0 1 292.810 2.966 20 30 CFEDMN C=CCN1C[C@H](NC(=O)[C@@H]2C[C@@H]3C=C[C@H]2CC3)C(C)(C)C1 ZINC000974621424 613827191 /nfs/dbraw/zinc/82/71/91/613827191.db2.gz WBORLHMDFCFJAG-QXSJWSMHSA-N 0 1 288.435 2.601 20 30 CFEDMN C=CCN1C[C@H](NC(=O)[C@@H](C)c2ccsc2)C(C)(C)C1 ZINC000975024577 613827333 /nfs/dbraw/zinc/82/73/33/613827333.db2.gz CDWTZBKHOVLRPI-JSGCOSHPSA-N 0 1 292.448 2.864 20 30 CFEDMN C=CCN1C[C@H](NC(=O)[C@@H](C)c2cccs2)C(C)(C)C1 ZINC000975029962 613827465 /nfs/dbraw/zinc/82/74/65/613827465.db2.gz PLTPWVOWQLXHAE-JSGCOSHPSA-N 0 1 292.448 2.864 20 30 CFEDMN C=CCN1C[C@H](NC(=O)[C@H]2CC23CCCC3)C(C)(C)C1 ZINC000977447851 613827712 /nfs/dbraw/zinc/82/77/12/613827712.db2.gz MJIVQFIKBIQRCO-KGLIPLIRSA-N 0 1 276.424 2.579 20 30 CFEDMN C=CCN1C[C@H](NC(=O)c2cc[nH]c2CCC)C(C)(C)C1 ZINC000974954664 613828808 /nfs/dbraw/zinc/82/88/08/613828808.db2.gz MJTSNZXZJXBFGT-HNNXBMFYSA-N 0 1 289.423 2.593 20 30 CFEDMN C=CCN1C[C@H](NC(=O)c2cccc(C)c2)C(C)(C)C1 ZINC000972776056 613829114 /nfs/dbraw/zinc/82/91/14/613829114.db2.gz JQLBGXRWRIBWMJ-HNNXBMFYSA-N 0 1 272.392 2.621 20 30 CFEDMN CC(C)C(=O)N[C@H]1CCN(CC#Cc2ccccc2)C[C@H]1C ZINC000941832031 613954374 /nfs/dbraw/zinc/95/43/74/613954374.db2.gz KSKXHVOBBBNTKB-AEFFLSMTSA-N 0 1 298.430 2.521 20 30 CFEDMN C[C@@](C#N)(NC(=O)c1cncc2nc[nH]c21)C1CCCCC1 ZINC000900722826 620705583 /nfs/dbraw/zinc/70/55/83/620705583.db2.gz KOCFBHCBCKJKBU-INIZCTEOSA-N 0 1 297.362 2.550 20 30 CFEDMN Cc1nc([C@H](C)OC(=O)c2ccc(C(C)(C)C#N)cc2)n[nH]1 ZINC000840537682 617963189 /nfs/dbraw/zinc/96/31/89/617963189.db2.gz DHETWXJXADSTBW-JTQLQIEISA-N 0 1 298.346 2.832 20 30 CFEDMN CCCCCCCN([C@@H](C)CS(C)(=O)=O)C1CC1 ZINC000158154432 618032889 /nfs/dbraw/zinc/03/28/89/618032889.db2.gz OOSFKFRMNDZUPF-ZDUSSCGKSA-N 0 1 275.458 2.854 20 30 CFEDMN C=CC[C@H]1CCN1C(=O)[C@@H](C)N1CCc2ccccc2C1 ZINC000890557679 617651261 /nfs/dbraw/zinc/65/12/61/617651261.db2.gz DTXMVHPBKWTZMJ-PBHICJAKSA-N 0 1 284.403 2.610 20 30 CFEDMN CCc1n[nH]c(Sc2cc(C)cc(F)c2C#N)n1 ZINC000891675465 617705423 /nfs/dbraw/zinc/70/54/23/617705423.db2.gz CRJWRDLSZVIZKN-UHFFFAOYSA-N 0 1 262.313 2.838 20 30 CFEDMN CCc1nc(Sc2cc(C)cc(F)c2C#N)n[nH]1 ZINC000891675465 617705426 /nfs/dbraw/zinc/70/54/26/617705426.db2.gz CRJWRDLSZVIZKN-UHFFFAOYSA-N 0 1 262.313 2.838 20 30 CFEDMN CC(=[NH+][N-]c1cc(Cl)ccn1)c1csc(N)n1 ZINC000777906677 617712044 /nfs/dbraw/zinc/71/20/44/617712044.db2.gz ZTKDGYIUWATBEN-UHFFFAOYSA-N 0 1 267.745 2.610 20 30 CFEDMN CCN(CCO)c1ccc(C=NOC/C=C/Cl)c(C)c1 ZINC000811671682 617716213 /nfs/dbraw/zinc/71/62/13/617716213.db2.gz JRVIDIWPFNRTEU-RCYQAAHFSA-N 0 1 296.798 2.917 20 30 CFEDMN Cc1noc([C@H]2CCCN(Cc3csc(C#N)c3)C2)n1 ZINC000891701272 617718014 /nfs/dbraw/zinc/71/80/14/617718014.db2.gz YJVHBRAVZMQMEB-LBPRGKRZSA-N 0 1 288.376 2.691 20 30 CFEDMN C#C[C@H]1CCCCN1C(=O)c1ccc(O)c(Cl)c1 ZINC000890648212 617733495 /nfs/dbraw/zinc/73/34/95/617733495.db2.gz VFTVOOXWHRYPLV-NSHDSACASA-N 0 1 263.724 2.674 20 30 CFEDMN CN(Cc1csc(C#N)c1)C[C@H]1CCCCO1 ZINC000891786326 617753014 /nfs/dbraw/zinc/75/30/14/617753014.db2.gz LNGWCSAPNLHZEL-GFCCVEGCSA-N 0 1 250.367 2.621 20 30 CFEDMN C[N@H+](Cc1cc(C#N)cs1)C[C@H]1CC(C)(C)CO1 ZINC000933769733 617773118 /nfs/dbraw/zinc/77/31/18/617773118.db2.gz FBMRNAFXIGNPOB-GFCCVEGCSA-N 0 1 264.394 2.867 20 30 CFEDMN CN(Cc1cc(C#N)cs1)C[C@H]1CC(C)(C)CO1 ZINC000933769733 617773121 /nfs/dbraw/zinc/77/31/21/617773121.db2.gz FBMRNAFXIGNPOB-GFCCVEGCSA-N 0 1 264.394 2.867 20 30 CFEDMN CN(Cc1cc(C#N)cs1)C[C@H](O)c1cccc(F)c1 ZINC000933775954 617776497 /nfs/dbraw/zinc/77/64/97/617776497.db2.gz PZJMPIAVUUFLAM-HNNXBMFYSA-N 0 1 290.363 2.924 20 30 CFEDMN Cn1c2ccccc2nc1NN=Cc1cnn(C2CCC2)c1 ZINC000901169696 620760886 /nfs/dbraw/zinc/76/08/86/620760886.db2.gz KDNGZVJMABYJAD-UHFFFAOYSA-N 0 1 294.362 2.941 20 30 CFEDMN CCCSCC(C)=NNCCN1CCCCC1 ZINC000901170259 620761430 /nfs/dbraw/zinc/76/14/30/620761430.db2.gz VKPGKXFXUFGPPC-UHFFFAOYSA-N 0 1 257.447 2.581 20 30 CFEDMN c1cc(CN=Nc2cnnc3ccccc23)n(C2CCC2)n1 ZINC000901196795 620763033 /nfs/dbraw/zinc/76/30/33/620763033.db2.gz RUXXJMMZBXAPTB-UHFFFAOYSA-N 0 1 292.346 2.997 20 30 CFEDMN C[C@@H](NCC1(CC#N)CC1)c1cn2c(n1)CCCC2 ZINC000926347191 617944976 /nfs/dbraw/zinc/94/49/76/617944976.db2.gz XOMFABDLYJEUQQ-GFCCVEGCSA-N 0 1 258.369 2.564 20 30 CFEDMN C=CC[C@@H]1CC[N@@H+]1Cc1cc(C(=O)OC)oc1CC ZINC000934464366 618043521 /nfs/dbraw/zinc/04/35/21/618043521.db2.gz FQTXCURUFWEUTG-GFCCVEGCSA-N 0 1 263.337 2.779 20 30 CFEDMN C=CC[C@@H]1CCN1Cc1cc(C(=O)OC)oc1CC ZINC000934464366 618043525 /nfs/dbraw/zinc/04/35/25/618043525.db2.gz FQTXCURUFWEUTG-GFCCVEGCSA-N 0 1 263.337 2.779 20 30 CFEDMN C=CC[C@@H]1CC[N@@H+]1Cc1ccc(C(=O)OC)s1 ZINC000934464364 618043551 /nfs/dbraw/zinc/04/35/51/618043551.db2.gz FNTWWOMYCKBVSX-SNVBAGLBSA-N 0 1 251.351 2.685 20 30 CFEDMN C=CC[C@@H]1CCN1Cc1ccc(C(=O)OC)s1 ZINC000934464364 618043556 /nfs/dbraw/zinc/04/35/56/618043556.db2.gz FNTWWOMYCKBVSX-SNVBAGLBSA-N 0 1 251.351 2.685 20 30 CFEDMN C=CC[C@@H]1CCN1C[C@H](O)c1ccc(F)c(F)c1 ZINC000934471566 618045945 /nfs/dbraw/zinc/04/59/45/618045945.db2.gz UTNBJWIEFRIAMV-RISCZKNCSA-N 0 1 253.292 2.649 20 30 CFEDMN C=CC[C@@H]1CCN1[C@@H](C)C(=O)N1C[C@H](C)C[C@H](C)C1 ZINC000934472349 618047954 /nfs/dbraw/zinc/04/79/54/618047954.db2.gz MAWBGHXUMOFELC-LJISPDSOSA-N 0 1 264.413 2.530 20 30 CFEDMN CC(CC(C)(C)c1ccccc1)[NH+]=Nc1nnc[n-]1 ZINC000807996914 618058181 /nfs/dbraw/zinc/05/81/81/618058181.db2.gz NDGGEQYBRIYBFG-UHFFFAOYSA-N 0 1 257.341 2.960 20 30 CFEDMN C#C[C@H]1CCCCN1Cc1cccc(NC(C)=O)c1 ZINC000934512069 618060298 /nfs/dbraw/zinc/06/02/98/618060298.db2.gz YVIKUDZLTNFVGV-INIZCTEOSA-N 0 1 256.349 2.633 20 30 CFEDMN CN1CCc2cc(/C=C\C(=O)c3ccc(O)cc3O)ccc21 ZINC000255539191 618096627 /nfs/dbraw/zinc/09/66/27/618096627.db2.gz LKNXVYOUZYGJFX-CLTKARDFSA-N 0 1 295.338 2.986 20 30 CFEDMN C#Cc1ccc(NC(=O)C(C)(C)N2CCCCC2)cc1 ZINC000891312987 618120882 /nfs/dbraw/zinc/12/08/82/618120882.db2.gz DPSXOSRTNQCEFO-UHFFFAOYSA-N 0 1 270.376 2.871 20 30 CFEDMN C[C@@H]1CC(NN=C2CCCN3CCCC[C@@H]23)C[C@@H](C)O1 ZINC000901302737 620779979 /nfs/dbraw/zinc/77/99/79/620779979.db2.gz LCNKHHRJHHDWOI-IOASZLSFSA-N 0 1 279.428 2.536 20 30 CFEDMN Cc1cc(N(C)C)ccc1C=NO[C@H]1CCCCO1 ZINC000841633548 618173497 /nfs/dbraw/zinc/17/34/97/618173497.db2.gz UTXNXOZHNUXXDU-HNNXBMFYSA-N 0 1 262.353 2.938 20 30 CFEDMN C#CCC1(NCc2c(F)cccc2[N+](=O)[O-])CCC1 ZINC000933301508 618194864 /nfs/dbraw/zinc/19/48/64/618194864.db2.gz OEGHOOFUQFRGFB-UHFFFAOYSA-N 0 1 262.284 2.770 20 30 CFEDMN COc1ccc(C(C)=NNc2nccn2C)c(C)c1 ZINC000841635495 618198479 /nfs/dbraw/zinc/19/84/79/618198479.db2.gz CQACDZWLDXENOE-UHFFFAOYSA-N 0 1 258.325 2.573 20 30 CFEDMN CC(C)CCSCC(=O)Nc1cc(C#N)ccc1O ZINC000176827623 618207493 /nfs/dbraw/zinc/20/74/93/618207493.db2.gz XVNPZWIEVIHTNL-UHFFFAOYSA-N 0 1 278.377 2.982 20 30 CFEDMN N#Cc1cccc(CNC2([C@@H]3CCCCO3)CC2)c1F ZINC000933375725 618214918 /nfs/dbraw/zinc/21/49/18/618214918.db2.gz MUANKCYYBUOPNF-AWEZNQCLSA-N 0 1 274.339 2.889 20 30 CFEDMN N#Cc1ccc(O)c(NC(=O)/C=C\c2ccco2)c1 ZINC000255629948 618235833 /nfs/dbraw/zinc/23/58/33/618235833.db2.gz AATCYVXJQJJULO-XQRVVYSFSA-N 0 1 254.245 2.509 20 30 CFEDMN C#C[C@H](CC)NCc1ccc(Br)cc1OC ZINC000310011546 618255435 /nfs/dbraw/zinc/25/54/35/618255435.db2.gz ISPVMFSQTIGMSJ-GFCCVEGCSA-N 0 1 282.181 2.959 20 30 CFEDMN CN(C)[C@H](CNCC#Cc1ccccc1)c1ccco1 ZINC000892433824 618266097 /nfs/dbraw/zinc/26/60/97/618266097.db2.gz CMWMBUWABLHADP-MRXNPFEDSA-N 0 1 268.360 2.524 20 30 CFEDMN C[C@@H]1CC(N=Nc2c(F)cc(F)cc2F)CN1C ZINC000901321272 620791427 /nfs/dbraw/zinc/79/14/27/620791427.db2.gz WPHNDERBXNKOKO-SSDOTTSWSA-N 0 1 257.259 2.596 20 30 CFEDMN CCn1cc(CNCc2ccc(CC#N)cc2)c(C)n1 ZINC000895091799 618285503 /nfs/dbraw/zinc/28/55/03/618285503.db2.gz ZLBAANDCQPTSHW-UHFFFAOYSA-N 0 1 268.364 2.567 20 30 CFEDMN C=CC(C)(C)CC(=O)N[C@@H](c1nnc[nH]1)c1ccccc1 ZINC000901348408 620792299 /nfs/dbraw/zinc/79/22/99/620792299.db2.gz NABRPGHGUUWUCF-CQSZACIVSA-N 0 1 284.363 2.613 20 30 CFEDMN C=CCN1CCCC[C@H]1CNC(=O)[C@H]1[C@@H]2CCCC[C@@H]21 ZINC001024373507 618303137 /nfs/dbraw/zinc/30/31/37/618303137.db2.gz MYJCYPGVPORFAW-CAOSSQGBSA-N 0 1 276.424 2.579 20 30 CFEDMN CC#CCN1CCCC[C@@H]1CNC(=O)c1cscc1C ZINC001024377522 618305554 /nfs/dbraw/zinc/30/55/54/618305554.db2.gz WEZXOFQCELSFSV-CQSZACIVSA-N 0 1 290.432 2.664 20 30 CFEDMN CCCCCCNC(=O)C(C#N)C(=O)C[C@@H]1C[C@H]1C1CC1 ZINC000892465111 618307829 /nfs/dbraw/zinc/30/78/29/618307829.db2.gz NUWTYMBZGVQQPO-SOUVJXGZSA-N 0 1 290.407 2.828 20 30 CFEDMN C=CC[N@@H+]1CCCC[C@H]1CNC(=O)c1cccc(F)c1C ZINC001024448378 618316369 /nfs/dbraw/zinc/31/63/69/618316369.db2.gz LCUHJKAWCDKNLL-AWEZNQCLSA-N 0 1 290.382 2.904 20 30 CFEDMN C=CCN1CCCC[C@H]1CNC(=O)c1cccc(F)c1C ZINC001024448378 618316373 /nfs/dbraw/zinc/31/63/73/618316373.db2.gz LCUHJKAWCDKNLL-AWEZNQCLSA-N 0 1 290.382 2.904 20 30 CFEDMN C=CCN1CCCC[C@H]1CNC(=O)c1cccc(C)c1F ZINC001024448726 618318502 /nfs/dbraw/zinc/31/85/02/618318502.db2.gz WQXFGWCVPGAJDF-AWEZNQCLSA-N 0 1 290.382 2.904 20 30 CFEDMN C=CCN1CCCC[C@H]1CNC(=O)[C@H]1CCC(F)(F)C1 ZINC001024473610 618325553 /nfs/dbraw/zinc/32/55/53/618325553.db2.gz GTCYFUCRZLQQEU-STQMWFEESA-N 0 1 286.366 2.579 20 30 CFEDMN C=CCN1CCC[C@@H](NC(=O)Cc2cc(C)cc(C)c2)C1 ZINC001008398872 618330311 /nfs/dbraw/zinc/33/03/11/618330311.db2.gz KBVFJCNFEJMWGY-QGZVFWFLSA-N 0 1 286.419 2.613 20 30 CFEDMN C=CCN1CCCC[C@H]1CNC(=O)[C@H]1CCCC12CC2 ZINC001024507564 618338910 /nfs/dbraw/zinc/33/89/10/618338910.db2.gz WMWPSCRETVYOMW-LSDHHAIUSA-N 0 1 276.424 2.723 20 30 CFEDMN C=C1CC(C)(C(=O)N[C@H]2CCCN(CC=C(C)C)C2)C1 ZINC001008436652 618353568 /nfs/dbraw/zinc/35/35/68/618353568.db2.gz GMEURABGCNORFM-HNNXBMFYSA-N 0 1 276.424 2.890 20 30 CFEDMN C#CCN(CC#C)C(=O)c1cc(Cl)c2ccccc2c1O ZINC000091990888 618357734 /nfs/dbraw/zinc/35/77/34/618357734.db2.gz JQRJQCQNVUTDOA-UHFFFAOYSA-N 0 1 297.741 2.907 20 30 CFEDMN C=CCN1CCC[C@@H](NC(=O)C2CCCCCC2)C1 ZINC001006903254 618360543 /nfs/dbraw/zinc/36/05/43/618360543.db2.gz FAWRFBRGKHCXCL-OAHLLOKOSA-N 0 1 264.413 2.723 20 30 CFEDMN N#CC(C(=O)[C@H]1CCOC2(CCC2)C1)c1ccccn1 ZINC000892482998 618360991 /nfs/dbraw/zinc/36/09/91/618360991.db2.gz ITCUUNHIOITYQA-QWHCGFSZSA-N 0 1 270.332 2.607 20 30 CFEDMN N#C[C@H](C(=O)Nc1ccccc1)C(=O)c1cnc(C2CC2)o1 ZINC000892495743 618386173 /nfs/dbraw/zinc/38/61/73/618386173.db2.gz SSWRTZWLZJZUEI-LBPRGKRZSA-N 0 1 295.298 2.513 20 30 CFEDMN N#CC(C(=O)Nc1ccccc1)C(=O)c1cnc(C2CC2)o1 ZINC000892495743 618386181 /nfs/dbraw/zinc/38/61/81/618386181.db2.gz SSWRTZWLZJZUEI-LBPRGKRZSA-N 0 1 295.298 2.513 20 30 CFEDMN CC(C)NC(=O)C(C#N)C(=O)CCCCc1ccccc1 ZINC000892499550 618394023 /nfs/dbraw/zinc/39/40/23/618394023.db2.gz YDZIRAFKBWSGDT-HNNXBMFYSA-N 0 1 286.375 2.633 20 30 CFEDMN C[C@]1(C#N)CCN(C2CC(OCc3ccccc3)C2)C1 ZINC000931062552 618400545 /nfs/dbraw/zinc/40/05/45/618400545.db2.gz KWCIHLYVNLQHGA-OFLPRAFFSA-N 0 1 270.376 2.970 20 30 CFEDMN Cc1ncoc1CNCCSCc1ccccc1C#N ZINC000894153869 618401210 /nfs/dbraw/zinc/40/12/10/618401210.db2.gz OCMXTXPILMDSLP-UHFFFAOYSA-N 0 1 287.388 2.878 20 30 CFEDMN C#CCN(Cc1ccc(F)cc1)C[C@H](O)c1ccccc1 ZINC000065958304 618403033 /nfs/dbraw/zinc/40/30/33/618403033.db2.gz KFSVSAHNRNVBGZ-SFHVURJKSA-N 0 1 283.346 2.995 20 30 CFEDMN Cc1nccc(NCC(C)(C)CC#N)c1Br ZINC000894160750 618406939 /nfs/dbraw/zinc/40/69/39/618406939.db2.gz VDGMXPQWPXKIKF-UHFFFAOYSA-N 0 1 282.185 2.926 20 30 CFEDMN C=C(C)CN1CCCC[C@H]1CNC(=O)c1csc(C)n1 ZINC001024616016 618422187 /nfs/dbraw/zinc/42/21/87/618422187.db2.gz NVJMHYSHVYDLNZ-ZDUSSCGKSA-N 0 1 293.436 2.612 20 30 CFEDMN C=C1CCC(C(=O)NC[C@@H]2CCCCN2CC#CC)CC1 ZINC001024631295 618427451 /nfs/dbraw/zinc/42/74/51/618427451.db2.gz JTZMWCSSWHIFSS-KRWDZBQOSA-N 0 1 288.435 2.727 20 30 CFEDMN CC#CCN1CCCC[C@H]1CNC(=O)[C@@H]1C[C@H]1CC(C)C ZINC001024664864 618436856 /nfs/dbraw/zinc/43/68/56/618436856.db2.gz YJIAFFONZALSFT-IXDOHACOSA-N 0 1 290.451 2.663 20 30 CFEDMN CCc1oc(C(=O)C(C#N)C(=O)Nc2ccccn2)cc1C ZINC000162683409 618459977 /nfs/dbraw/zinc/45/99/77/618459977.db2.gz NZWFQRAVAZPRPB-LLVKDONJSA-N 0 1 297.314 2.507 20 30 CFEDMN C#CCN1CCCC[C@@H]1CNC(=O)c1cccc(C)c1C ZINC001024786464 618469633 /nfs/dbraw/zinc/46/96/33/618469633.db2.gz JXKINLDWYPAYKT-MRXNPFEDSA-N 0 1 284.403 2.521 20 30 CFEDMN C=CCN1CCCC[C@H]1CNC(=O)c1ccc(C(F)F)o1 ZINC001024781467 618470635 /nfs/dbraw/zinc/47/06/35/618470635.db2.gz UVWCJTIKZXYEFJ-NSHDSACASA-N 0 1 298.333 2.988 20 30 CFEDMN CC(=NNc1ccc(C)cn1)c1ccc2c(c1)CC(=O)N2 ZINC000727259593 618475754 /nfs/dbraw/zinc/47/57/54/618475754.db2.gz KRYGYWBFBSMONZ-UHFFFAOYSA-N 0 1 280.331 2.721 20 30 CFEDMN COc1cc(CN=Nc2ccc(C)cn2)cc2c1OCCO2 ZINC000727260411 618475905 /nfs/dbraw/zinc/47/59/05/618475905.db2.gz VCMUICFLXCDOAZ-UHFFFAOYSA-N 0 1 299.330 2.616 20 30 CFEDMN Cc1ncc(C=NNc2cnc3ccccc3n2)s1 ZINC000727257422 618475942 /nfs/dbraw/zinc/47/59/42/618475942.db2.gz MSKSMNKLCTWKFY-UHFFFAOYSA-N 0 1 269.333 2.841 20 30 CFEDMN CCOc1ccc(O)c(C=NNc2cccc(F)n2)c1 ZINC000795006520 618530231 /nfs/dbraw/zinc/53/02/31/618530231.db2.gz CBTVXWJUPGFQQF-UHFFFAOYSA-N 0 1 275.283 2.771 20 30 CFEDMN C=CCC1(NCc2nnc(C3CC3)s2)CCOCC1 ZINC000895366270 618551957 /nfs/dbraw/zinc/55/19/57/618551957.db2.gz JNHBGRNJSQEBPS-UHFFFAOYSA-N 0 1 279.409 2.630 20 30 CFEDMN Cc1ncoc1CN(C)CCc1cccc(C#N)c1 ZINC000895451769 618594411 /nfs/dbraw/zinc/59/44/11/618594411.db2.gz NBHQFZVVCZQCAY-UHFFFAOYSA-N 0 1 255.321 2.529 20 30 CFEDMN COCc1cc(C#N)ccc1NCc1cc(N(C)C)ccn1 ZINC000895470782 618601811 /nfs/dbraw/zinc/60/18/11/618601811.db2.gz DFAQDNTZZRWHAV-UHFFFAOYSA-N 0 1 296.374 2.778 20 30 CFEDMN C=C(C)CN1CCC[C@@H](NC(=O)[C@H]2CCCC23CC3)C1 ZINC001007619379 618717714 /nfs/dbraw/zinc/71/77/14/618717714.db2.gz RCUJSVAACWZNSE-HUUCEWRRSA-N 0 1 276.424 2.723 20 30 CFEDMN C#CCCN(CC#Cc1ccc(Cl)cc1)CCOC ZINC000852752083 618780639 /nfs/dbraw/zinc/78/06/39/618780639.db2.gz OWTQEFHARGZNBM-UHFFFAOYSA-N 0 1 275.779 2.663 20 30 CFEDMN C=C(C)COCCN[C@@H]1CCc2c1nccc2Cl ZINC000925530001 618882071 /nfs/dbraw/zinc/88/20/71/618882071.db2.gz ALXHPUAFJKXIHU-CYBMUJFWSA-N 0 1 266.772 2.905 20 30 CFEDMN CC(C)c1nc([C@H](C)NCC#Cc2ccccc2)n[nH]1 ZINC000893265935 618916351 /nfs/dbraw/zinc/91/63/51/618916351.db2.gz XOBFONOATHXZOA-ZDUSSCGKSA-N 0 1 268.364 2.630 20 30 CFEDMN C=C(C)CN1CCC[C@H](NC(=O)c2cc(OC)cs2)C1 ZINC001008160945 618924333 /nfs/dbraw/zinc/92/43/33/618924333.db2.gz ZVQFOULXFSOLNN-LBPRGKRZSA-N 0 1 294.420 2.527 20 30 CFEDMN N#Cc1cc(CN2CCC([C@H]3CCOC3)CC2)cs1 ZINC000893521936 619033919 /nfs/dbraw/zinc/03/39/19/619033919.db2.gz UVUYSFZWNIFLOB-AWEZNQCLSA-N 0 1 276.405 2.868 20 30 CFEDMN C[C@H](C#N)CNCCc1cccc(OC(F)(F)F)c1 ZINC000893542993 619054461 /nfs/dbraw/zinc/05/44/61/619054461.db2.gz OWTXGZJDLZDJLW-SNVBAGLBSA-N 0 1 272.270 2.877 20 30 CFEDMN C[C@H](C#N)CN[C@H]1C[C@@H](Oc2ccccc2)C1(C)C ZINC000893544093 619057343 /nfs/dbraw/zinc/05/73/43/619057343.db2.gz JIAVYSKKQVGSHA-VHDGCEQUSA-N 0 1 258.365 2.982 20 30 CFEDMN C[C@@H](CC(C)(C)C#N)N[C@H](c1nnc[nH]1)c1ccccc1 ZINC000893559081 619071533 /nfs/dbraw/zinc/07/15/33/619071533.db2.gz GJXFJWDZSPHOKQ-JSGCOSHPSA-N 0 1 283.379 2.812 20 30 CFEDMN C=C(Br)CN1CCN(C2CCCCC2)CC1 ZINC000162943398 619088030 /nfs/dbraw/zinc/08/80/30/619088030.db2.gz MLYCIRQNZOZNRM-UHFFFAOYSA-N 0 1 287.245 2.845 20 30 CFEDMN N#CC1(CNCCc2ccc(F)c(F)c2)CCC1 ZINC000258944961 619090196 /nfs/dbraw/zinc/09/01/96/619090196.db2.gz QCSSGMBWAGGYKP-UHFFFAOYSA-N 0 1 250.292 2.791 20 30 CFEDMN CCN(Cc1cncc(C#N)c1)[C@H](CO)c1ccccc1 ZINC000931701696 619097915 /nfs/dbraw/zinc/09/79/15/619097915.db2.gz YZIAEXSAIMBGKV-QGZVFWFLSA-N 0 1 281.359 2.509 20 30 CFEDMN COC[C@H]1CCCC[N@@H+](Cc2csc(C#N)c2)C1 ZINC000893643336 619139288 /nfs/dbraw/zinc/13/92/88/619139288.db2.gz SZCWSFUTMUYLJI-LBPRGKRZSA-N 0 1 264.394 2.868 20 30 CFEDMN Cc1cc[nH+]c([N-]N=Cc2c(Cl)nc(Cl)n2C)c1 ZINC000814868123 619361140 /nfs/dbraw/zinc/36/11/40/619361140.db2.gz KWHSDOMGGMIFSM-UHFFFAOYSA-N 0 1 284.150 2.876 20 30 CFEDMN C=CC[N@H+](C)Cc1cc(Br)cc(F)c1[O-] ZINC000894494183 619402378 /nfs/dbraw/zinc/40/23/78/619402378.db2.gz GREMULFAGLDMEH-UHFFFAOYSA-N 0 1 274.133 2.912 20 30 CFEDMN CCOC1CC(N(C)Cc2csc(C#N)c2)C1 ZINC000894510182 619405668 /nfs/dbraw/zinc/40/56/68/619405668.db2.gz JDSZICSTLOVREA-UHFFFAOYSA-N 0 1 250.367 2.619 20 30 CFEDMN C#C[C@@H](N[C@@H]1COC2(CCC2)C1)c1ccc(F)cc1 ZINC000894574356 619422277 /nfs/dbraw/zinc/42/22/77/619422277.db2.gz DGLNORKRPREBAK-LSDHHAIUSA-N 0 1 259.324 2.801 20 30 CFEDMN C=CCOc1cccc(CN[C@@H](C)c2n[nH]c(C)n2)c1 ZINC000894771614 619459784 /nfs/dbraw/zinc/45/97/84/619459784.db2.gz OQPQYIGEOQCQLJ-NSHDSACASA-N 0 1 272.352 2.529 20 30 CFEDMN Cn1cc(CNCc2ccc(C#N)c(F)c2)c(C2CC2)n1 ZINC000894775233 619461294 /nfs/dbraw/zinc/46/12/94/619461294.db2.gz HOWBFALKYCNJSN-UHFFFAOYSA-N 0 1 284.338 2.598 20 30 CFEDMN CC1(C)CC[C@H](CNCc2cccc(F)c2C#N)OC1 ZINC000895529614 619547856 /nfs/dbraw/zinc/54/78/56/619547856.db2.gz SAKDSMUXKNUQCJ-CYBMUJFWSA-N 0 1 276.355 2.992 20 30 CFEDMN C#CC1(O)CCN(Cc2ccc(C(F)F)c(F)c2)CC1 ZINC000895539051 619550199 /nfs/dbraw/zinc/55/01/99/619550199.db2.gz SHIJFHWMPIBZLE-UHFFFAOYSA-N 0 1 283.293 2.723 20 30 CFEDMN C[C@@H](CCC#N)CN1CCn2cnc(C(F)(F)F)c2C1 ZINC000895559158 619555181 /nfs/dbraw/zinc/55/51/81/619555181.db2.gz GCCGOORFXWXBJO-JTQLQIEISA-N 0 1 286.301 2.657 20 30 CFEDMN C#CC[C@@H]1CCN(Cc2c(Cl)n[nH]c2C2CC2)C1 ZINC000895563278 619556368 /nfs/dbraw/zinc/55/63/68/619556368.db2.gz ZBZYIRROENIXMS-SNVBAGLBSA-N 0 1 263.772 2.786 20 30 CFEDMN C=C[C@@H](CC)CC(=O)OCc1nnc(C(C)(C)C)[nH]1 ZINC000909526569 619570378 /nfs/dbraw/zinc/57/03/78/619570378.db2.gz ZYVCNXMNFMFCRJ-JTQLQIEISA-N 0 1 265.357 2.748 20 30 CFEDMN C=C[C@@H](CC)CC(=O)OCc1n[nH]c(C(C)(C)C)n1 ZINC000909526569 619570381 /nfs/dbraw/zinc/57/03/81/619570381.db2.gz ZYVCNXMNFMFCRJ-JTQLQIEISA-N 0 1 265.357 2.748 20 30 CFEDMN C#CCC1(O)CCN(Cc2ccc(C)c(Cl)c2)CC1 ZINC000895669599 619582529 /nfs/dbraw/zinc/58/25/29/619582529.db2.gz HFKKQTOGJCIOSD-UHFFFAOYSA-N 0 1 277.795 2.999 20 30 CFEDMN C#CCN1CCC(Nc2cc(Cl)nc(C3CC3)n2)CC1 ZINC000895809391 619609857 /nfs/dbraw/zinc/60/98/57/619609857.db2.gz UGAXSFIXBIEWNU-UHFFFAOYSA-N 0 1 290.798 2.517 20 30 CFEDMN C#CC[NH+]1CCC(Nc2cc(C(C)(C)C)cc[nH+]2)CC1 ZINC000895812025 619613263 /nfs/dbraw/zinc/61/32/63/619613263.db2.gz YXJDHKFCDCQSTC-UHFFFAOYSA-N 0 1 271.408 2.889 20 30 CFEDMN C=C(C)C[C@@H](C)C(=O)OCc1nc(C(C)C)n[nH]1 ZINC000795530260 619681261 /nfs/dbraw/zinc/68/12/61/619681261.db2.gz OMLDDXBYXHKJGY-SNVBAGLBSA-N 0 1 251.330 2.574 20 30 CFEDMN C=C(C)C[C@@H](C)C(=O)OCc1n[nH]c(C(C)C)n1 ZINC000795530260 619681262 /nfs/dbraw/zinc/68/12/62/619681262.db2.gz OMLDDXBYXHKJGY-SNVBAGLBSA-N 0 1 251.330 2.574 20 30 CFEDMN C=CC[C@H](NC(=O)[C@H]1CCN1C(C)(C)C)c1ccncc1 ZINC000896384304 619726722 /nfs/dbraw/zinc/72/67/22/619726722.db2.gz AEXXVWDUBRNCJB-LSDHHAIUSA-N 0 1 287.407 2.688 20 30 CFEDMN C#CCN(C(=O)c1cc(C2CCCCC2)[nH]n1)C(C)C ZINC000928626576 619828970 /nfs/dbraw/zinc/82/89/70/619828970.db2.gz LZYTUEURZIGRLL-UHFFFAOYSA-N 0 1 273.380 2.941 20 30 CFEDMN C[C@H]1Cc2cc(CNCc3cccc(C#N)n3)ccc2O1 ZINC000896829351 619833435 /nfs/dbraw/zinc/83/34/35/619833435.db2.gz RGXVZXRJIMNEAJ-LBPRGKRZSA-N 0 1 279.343 2.566 20 30 CFEDMN C[C@@H](CCC#N)CN1CCn2nc(C(C)(C)C)cc2C1 ZINC000896942525 619901666 /nfs/dbraw/zinc/90/16/66/619901666.db2.gz GJTGQOYALOHPIK-ZDUSSCGKSA-N 0 1 274.412 2.936 20 30 CFEDMN C#CCN1CCC(NC(=O)C2(C)CCCCCC2)CC1 ZINC000928654350 619937098 /nfs/dbraw/zinc/93/70/98/619937098.db2.gz XYWMRLSQIJIUEC-UHFFFAOYSA-N 0 1 276.424 2.561 20 30 CFEDMN CC#CCN(C)Cc1cc(Cl)c(O)c(OCC)c1 ZINC000897167849 619942499 /nfs/dbraw/zinc/94/24/99/619942499.db2.gz UJBXIYBOGIUPQX-UHFFFAOYSA-N 0 1 267.756 2.899 20 30 CFEDMN C=C(Cl)CN(C)C1CCN(C(=O)[C@H](C)CC)CC1 ZINC000985277447 619942923 /nfs/dbraw/zinc/94/29/23/619942923.db2.gz PMBJTUDAVQROIW-LLVKDONJSA-N 0 1 272.820 2.708 20 30 CFEDMN C#CCN1CCC(NC(=O)[C@H](CCC)c2ccccc2)CC1 ZINC000928660901 619952840 /nfs/dbraw/zinc/95/28/40/619952840.db2.gz JOIZYESIVKJNKU-GOSISDBHSA-N 0 1 298.430 2.784 20 30 CFEDMN C=C(Cl)C[N@H+](C)C1CCN(C(=O)CC(F)(F)F)CC1 ZINC000985308045 619954078 /nfs/dbraw/zinc/95/40/78/619954078.db2.gz YDQDWTOPYVZLKZ-UHFFFAOYSA-N 0 1 298.736 2.614 20 30 CFEDMN C=C(Cl)CN(C)C1CCN(C(=O)CC(F)(F)F)CC1 ZINC000985308045 619954080 /nfs/dbraw/zinc/95/40/80/619954080.db2.gz YDQDWTOPYVZLKZ-UHFFFAOYSA-N 0 1 298.736 2.614 20 30 CFEDMN C[C@H](CCC#N)C[NH2+]CCc1c(F)cc([O-])cc1F ZINC000897305178 619975021 /nfs/dbraw/zinc/97/50/21/619975021.db2.gz PZVHDKMHEWRBOH-SNVBAGLBSA-N 0 1 268.307 2.742 20 30 CFEDMN C=C(Cl)CN[C@@H]1CCN(C(=O)/C=C(\C)C2CC2)[C@@H]1C ZINC000985995428 620057144 /nfs/dbraw/zinc/05/71/44/620057144.db2.gz PAGJZZKGRICLSX-VHYLPNJESA-N 0 1 282.815 2.674 20 30 CFEDMN C=C(Cl)CN[C@@H]1CCN(C(=O)c2cocc2C)[C@H]1C ZINC000986671933 620096474 /nfs/dbraw/zinc/09/64/74/620096474.db2.gz QYEDBJZQPJVMSZ-WCQYABFASA-N 0 1 282.771 2.533 20 30 CFEDMN C=C(Cl)CN[C@H]1CCN(C(=O)c2cc(C)[nH]c2C)[C@@H]1C ZINC000987074992 620112654 /nfs/dbraw/zinc/11/26/54/620112654.db2.gz HOSRLJZMHAGHGU-OCCSQVGLSA-N 0 1 295.814 2.577 20 30 CFEDMN C=C(Cl)CN[C@@H]1C[C@@H](C)N(C(=O)c2ccccc2F)C1 ZINC000987855645 620156848 /nfs/dbraw/zinc/15/68/48/620156848.db2.gz KEALUSHMPFREQD-VXGBXAGGSA-N 0 1 296.773 2.771 20 30 CFEDMN C=C(Cl)CN[C@H]1C[C@H](C)N(C(=O)C2CCCCC2)C1 ZINC000987879682 620157642 /nfs/dbraw/zinc/15/76/42/620157642.db2.gz PTWUYVOFZOROPN-JSGCOSHPSA-N 0 1 284.831 2.898 20 30 CFEDMN C=C(Cl)CN[C@H]1C[C@@H](C)N(C(=O)c2cccc(C)c2)C1 ZINC000987939643 620159369 /nfs/dbraw/zinc/15/93/69/620159369.db2.gz QQHITRBBTZYGNB-HIFRSBDPSA-N 0 1 292.810 2.940 20 30 CFEDMN N#Cc1c(F)cccc1CNC[C@H]1CC[C@H](C2CC2)O1 ZINC000897505087 620195292 /nfs/dbraw/zinc/19/52/92/620195292.db2.gz IRFGXYWSTPINCP-CZUORRHYSA-N 0 1 274.339 2.745 20 30 CFEDMN C=C(Cl)CN[C@H]1C[C@H](C)N(C(=O)c2oc(C)cc2C)C1 ZINC000988526601 620197965 /nfs/dbraw/zinc/19/79/65/620197965.db2.gz FFJJWEHUGJQXGP-AAEUAGOBSA-N 0 1 296.798 2.842 20 30 CFEDMN C=C(Cl)CN[C@@H]1C[C@H](C)N(C(=O)C(F)=C(C)C)C1 ZINC000988591578 620203628 /nfs/dbraw/zinc/20/36/28/620203628.db2.gz RHKMFTDZGRJEAE-WDEREUQCSA-N 0 1 274.767 2.581 20 30 CFEDMN C=C(Cl)CN[C@@H]1C[C@@H](C)N(C(=O)C2CC(C)(C)C2)C1 ZINC000988772510 620222960 /nfs/dbraw/zinc/22/29/60/620222960.db2.gz RVNDWSBYAQAUHZ-DGCLKSJQSA-N 0 1 284.831 2.754 20 30 CFEDMN C#Cc1ccc(CN2CCC3(CC2)CC(=O)C=CO3)cc1 ZINC000897599393 620255358 /nfs/dbraw/zinc/25/53/58/620255358.db2.gz JFKJULFCGCGTLD-UHFFFAOYSA-N 0 1 281.355 2.506 20 30 CFEDMN C[C@H](NCc1nc(C#N)cs1)[C@@H]1COc2ccccc2C1 ZINC000897626050 620262323 /nfs/dbraw/zinc/26/23/23/620262323.db2.gz LFKYSOQLBHWNCR-AAEUAGOBSA-N 0 1 299.399 2.744 20 30 CFEDMN C=CCOc1ccc(CN2C[C@@H](C)[C@H](O)C2)cc1Cl ZINC000897683224 620271418 /nfs/dbraw/zinc/27/14/18/620271418.db2.gz BHQBANYRQJLJIR-BXUZGUMPSA-N 0 1 281.783 2.717 20 30 CFEDMN C[C@@H](c1cccc(C#N)c1)N(C)C(=O)[C@@H]1CCN1C(C)(C)C ZINC000898015355 620323214 /nfs/dbraw/zinc/32/32/14/620323214.db2.gz MRXRWBFIEAVAHL-BBRMVZONSA-N 0 1 299.418 2.950 20 30 CFEDMN C=C(C)CN1CCCN(C(=O)[C@@H](C)C2CCCC2)CC1 ZINC000989454492 620340744 /nfs/dbraw/zinc/34/07/44/620340744.db2.gz NOKYWOSBXPAZCW-HNNXBMFYSA-N 0 1 278.440 2.923 20 30 CFEDMN C=CCN1CCCN(C(=O)c2cc3c(C)cccn3c2)CC1 ZINC000989472025 620374984 /nfs/dbraw/zinc/37/49/84/620374984.db2.gz DBANEIIKHNZKCX-UHFFFAOYSA-N 0 1 297.402 2.582 20 30 CFEDMN C=CCN1CCCN(C(=O)c2cccc3cnccc32)CC1 ZINC000989666367 620384900 /nfs/dbraw/zinc/38/49/00/620384900.db2.gz AEPXPVMQXNZWPX-UHFFFAOYSA-N 0 1 295.386 2.569 20 30 CFEDMN C=C(Cl)CN[C@H]1C[C@@H](C)N(C(=O)c2ccc(C)cc2)C1 ZINC000989714733 620387519 /nfs/dbraw/zinc/38/75/19/620387519.db2.gz NMFLNMSJWXCQNK-HIFRSBDPSA-N 0 1 292.810 2.940 20 30 CFEDMN C=CCN1CCCN(C(=O)C2CC(c3ccccc3)C2)CC1 ZINC000989780293 620392116 /nfs/dbraw/zinc/39/21/16/620392116.db2.gz CYKZSFPWALOXLE-UHFFFAOYSA-N 0 1 298.430 2.901 20 30 CFEDMN C=CCN1CCCN(C(=O)CCc2ccc(C)s2)CC1 ZINC000989804679 620392504 /nfs/dbraw/zinc/39/25/04/620392504.db2.gz JGEGEWPDJCYREM-UHFFFAOYSA-N 0 1 292.448 2.709 20 30 CFEDMN CC[C@H]([NH2+][C@H](C)c1cccc(C#N)c1[O-])C(F)F ZINC000866364443 620393035 /nfs/dbraw/zinc/39/30/35/620393035.db2.gz BQGMUPSFVHZHPH-KCJUWKMLSA-N 0 1 254.280 2.958 20 30 CFEDMN CC[C@@H]([NH2+][C@H](C)c1cccc(C#N)c1[O-])C(F)F ZINC000866364445 620393231 /nfs/dbraw/zinc/39/32/31/620393231.db2.gz BQGMUPSFVHZHPH-LDYMZIIASA-N 0 1 254.280 2.958 20 30 CFEDMN C=C(C)CN1CC[C@H](NC(=O)c2ccc3occc3c2)C1 ZINC001014528131 620414248 /nfs/dbraw/zinc/41/42/48/620414248.db2.gz YSWBEWUGNZGADR-HNNXBMFYSA-N 0 1 284.359 2.813 20 30 CFEDMN CC(C)N1CCC[C@@H]1C(=O)OCCCC(C)(C)C#N ZINC000923887164 620425478 /nfs/dbraw/zinc/42/54/78/620425478.db2.gz FHJYFEVSDOXPMB-CYBMUJFWSA-N 0 1 266.385 2.732 20 30 CFEDMN C=CC(C)(C)CCCNC(=O)c1cncc2nc[nH]c21 ZINC000899193025 620529324 /nfs/dbraw/zinc/52/93/24/620529324.db2.gz OCAPGSKDLGNENJ-UHFFFAOYSA-N 0 1 272.352 2.680 20 30 CFEDMN C#CC[C@@H]1C(C)=NN(c2ncnc3sc(C)c(C)c32)C1=O ZINC000899346211 620547314 /nfs/dbraw/zinc/54/73/14/620547314.db2.gz GCRZZJLFAVEPRV-LLVKDONJSA-N 0 1 298.371 2.670 20 30 CFEDMN C#CC[C@@H]1C(=O)N(c2cccc3c2CCCC3)N=C1C ZINC000899348488 620549229 /nfs/dbraw/zinc/54/92/29/620549229.db2.gz AHBQHOIZZOBMNT-AWEZNQCLSA-N 0 1 266.344 2.927 20 30 CFEDMN C#CCc1c(C)[nH]n(-c2cccc3c2CCCC3)c1=O ZINC000899348488 620549231 /nfs/dbraw/zinc/54/92/31/620549231.db2.gz AHBQHOIZZOBMNT-AWEZNQCLSA-N 0 1 266.344 2.927 20 30 CFEDMN CCn1cc(/C=C\C(=O)c2ccc(OC)cc2O)c(C)n1 ZINC000899362340 620553126 /nfs/dbraw/zinc/55/31/26/620553126.db2.gz QMVWFURCUHEXMG-YVMONPNESA-N 0 1 286.331 2.822 20 30 CFEDMN N#CC1(Cn2cc([C@@H]3CCCCN3)nn2)CCCCC1 ZINC000899726061 620594807 /nfs/dbraw/zinc/59/48/07/620594807.db2.gz YJYDMKNUVPPFIZ-ZDUSSCGKSA-N 0 1 273.384 2.567 20 30 CFEDMN N#CCC[C@@H](C#N)CNCCc1cnc2ccccc2c1 ZINC000901571632 620866650 /nfs/dbraw/zinc/86/66/50/620866650.db2.gz FJSVOABZHQKYGE-HNNXBMFYSA-N 0 1 278.359 2.810 20 30 CFEDMN N#CCC[C@@H](C#N)CNC[C@H]1CCCC2(CCC2)O1 ZINC000901607038 620872450 /nfs/dbraw/zinc/87/24/50/620872450.db2.gz JMTLYKJVCUYJJH-UONOGXRCSA-N 0 1 261.369 2.511 20 30 CFEDMN N#CCC[C@H](C#N)CNC[C@@]1(c2ccccc2)CCCO1 ZINC000901630181 620875151 /nfs/dbraw/zinc/87/51/51/620875151.db2.gz HNBKGQYNLBZCAC-NVXWUHKLSA-N 0 1 283.375 2.725 20 30 CFEDMN C=CCOC[C@H]([NH2+][C@@H](C)c1cc2ccccc2o1)C(=O)[O-] ZINC000901807999 620921175 /nfs/dbraw/zinc/92/11/75/620921175.db2.gz ABLSUMFAPPWOPO-AAEUAGOBSA-N 0 1 289.331 2.739 20 30 CFEDMN C=CCOc1cccc(C[N@@H+]2CC[C@@H](C)C[C@H]2C(=O)[O-])c1 ZINC000902014417 620958859 /nfs/dbraw/zinc/95/88/59/620958859.db2.gz FKIITGJTBUXSFC-CJNGLKHVSA-N 0 1 289.375 2.937 20 30 CFEDMN C=C[C@@H]1CCCC[N@@H+]1Cc1csc(C(=O)[O-])c1 ZINC000902544219 621116949 /nfs/dbraw/zinc/11/69/49/621116949.db2.gz DBHPBCOHXNFDAT-LLVKDONJSA-N 0 1 251.351 2.987 20 30 CFEDMN C=CC[C@@H]1[N@H+](Cc2cc(C(=O)[O-])no2)CCCC1(C)C ZINC000902545863 621124422 /nfs/dbraw/zinc/12/44/22/621124422.db2.gz MWRTYSZHVOJGDC-ZDUSSCGKSA-N 0 1 278.352 2.940 20 30 CFEDMN C=CCCCN(CC)CN1C(=O)[C@@H](C2CC2)[C@@H]1C1CC1 ZINC000902668443 621148146 /nfs/dbraw/zinc/14/81/46/621148146.db2.gz ARYUZAVOCDRZRU-HOTGVXAUSA-N 0 1 276.424 2.879 20 30 CFEDMN C=CCCCN(CC)CN1C(=O)C(C)(C)[C@@H]1[C@H]1CCCO1 ZINC000902669993 621148385 /nfs/dbraw/zinc/14/83/85/621148385.db2.gz WLGHBHXAMDNDSF-CABCVRRESA-N 0 1 294.439 2.648 20 30 CFEDMN COc1ccccc1OCCN[C@@H](C)c1cc(C#N)ccn1 ZINC000902724726 621158139 /nfs/dbraw/zinc/15/81/39/621158139.db2.gz HGDBQEGEJIBBMH-ZDUSSCGKSA-N 0 1 297.358 2.691 20 30 CFEDMN C[C@H](C#N)OCCN1CC[C@H](Oc2ccccc2Cl)C1 ZINC000801933797 621168948 /nfs/dbraw/zinc/16/89/48/621168948.db2.gz GELZIULNLXHCQY-OLZOCXBDSA-N 0 1 294.782 2.722 20 30 CFEDMN CC1=C(C([O-])=C2C(=O)CC(C)(C)CC2=O)CC[N@H+]1C(C)C ZINC000902837641 621188368 /nfs/dbraw/zinc/18/83/68/621188368.db2.gz MLWDNROEVXOQDC-UHFFFAOYSA-N 0 1 291.391 2.518 20 30 CFEDMN CC1=C(C([O-])=C2C(=O)CC(C)(C)CC2=O)CC[N@@H+]1C(C)C ZINC000902837641 621188370 /nfs/dbraw/zinc/18/83/70/621188370.db2.gz MLWDNROEVXOQDC-UHFFFAOYSA-N 0 1 291.391 2.518 20 30 CFEDMN C[C@@H](CC(F)(F)F)N[C@@H](C)c1cc(C#N)ccn1 ZINC000902958357 621214242 /nfs/dbraw/zinc/21/42/42/621214242.db2.gz ZJVMSEGLJWXEST-IUCAKERBSA-N 0 1 257.259 2.945 20 30 CFEDMN C[C@H](NCC1(C#N)CCC1)c1ccccc1-n1ccnn1 ZINC000903035969 621230651 /nfs/dbraw/zinc/23/06/51/621230651.db2.gz XZLWOWDJNDDRTQ-ZDUSSCGKSA-N 0 1 281.363 2.612 20 30 CFEDMN C=CCC[C@@H](NCc1cn(CC)nn1)[C@]1(C)CCCCO1 ZINC000903049612 621241581 /nfs/dbraw/zinc/24/15/81/621241581.db2.gz BINUDYZHGWYJAG-CVEARBPZSA-N 0 1 292.427 2.682 20 30 CFEDMN CC(=O)Nc1ccc([C@@H](C)NCC(C)(C)C#N)cc1 ZINC000903100534 621253060 /nfs/dbraw/zinc/25/30/60/621253060.db2.gz RYJZYXFBUVMGBS-LLVKDONJSA-N 0 1 259.353 2.845 20 30 CFEDMN C[C@@H](Cc1ccc(F)cc1[N+](=O)[O-])NCC1(C#N)CC1 ZINC000903108616 621255905 /nfs/dbraw/zinc/25/59/05/621255905.db2.gz FJQVVYFWGDGCDT-JTQLQIEISA-N 0 1 277.299 2.558 20 30 CFEDMN C[C@H](Cc1ccc(F)cc1[N+](=O)[O-])NCC1(C#N)CC1 ZINC000903108617 621256167 /nfs/dbraw/zinc/25/61/67/621256167.db2.gz FJQVVYFWGDGCDT-SNVBAGLBSA-N 0 1 277.299 2.558 20 30 CFEDMN CC[C@H](NCc1cnn(CCF)c1)c1cccc(C#N)c1 ZINC000903275108 621309746 /nfs/dbraw/zinc/30/97/46/621309746.db2.gz WRKTWHIUUNDIPT-INIZCTEOSA-N 0 1 286.354 2.965 20 30 CFEDMN CCCCCCCC[C@H](CO)N[C@@H]1C[C@H](C)n2ncnc21 ZINC000903318410 621331175 /nfs/dbraw/zinc/33/11/75/621331175.db2.gz KDTQCUAOIFETDD-RRFJBIMHSA-N 0 1 294.443 2.985 20 30 CFEDMN CC[C@H](NCc1cn(C)nc1OC)c1cccc(C#N)c1 ZINC000903347042 621337954 /nfs/dbraw/zinc/33/79/54/621337954.db2.gz YYVJDEGGEBONQK-HNNXBMFYSA-N 0 1 284.363 2.541 20 30 CFEDMN Cc1cc(C#N)cc(C)c1C[N@@H+]1C[C@@H](C(=O)[O-])CC[C@H]1C ZINC000903407357 621362707 /nfs/dbraw/zinc/36/27/07/621362707.db2.gz GRLAIKYUIDFCKW-HIFRSBDPSA-N 0 1 286.375 2.860 20 30 CFEDMN Cc1cc(C#N)cc(C)c1C[N@H+]1C[C@H](C)C[C@@H](C(=O)[O-])C1 ZINC000903407754 621363074 /nfs/dbraw/zinc/36/30/74/621363074.db2.gz LAGWEJAHIURWOU-IAQYHMDHSA-N 0 1 286.375 2.718 20 30 CFEDMN C=CC[C@H](C)[N@H+]1CC[C@@](C(=O)[O-])(c2ccccc2)C1 ZINC000903604557 621401068 /nfs/dbraw/zinc/40/10/68/621401068.db2.gz ZSFYSEUAIBDKLC-BBRMVZONSA-N 0 1 259.349 2.679 20 30 CFEDMN C=CC[C@H]1CC[N@H+](Cc2cc(C(=O)[O-])ccc2OC)C1 ZINC000903607928 621402079 /nfs/dbraw/zinc/40/20/79/621402079.db2.gz VVLOINQHNXGOPQ-LBPRGKRZSA-N 0 1 275.348 2.791 20 30 CFEDMN C[C@H]1CC[N@@H+](CCCCC2(C#N)CCC2)C[C@@H]1C(=O)[O-] ZINC000903703214 621421587 /nfs/dbraw/zinc/42/15/87/621421587.db2.gz VNMZEBAPDUUNOC-KBPBESRZSA-N 0 1 278.396 2.893 20 30 CFEDMN C[C@@H]1CC[N@@H+](CCCCC2(C#N)CCC2)C[C@H]1C(=O)[O-] ZINC000903703217 621422331 /nfs/dbraw/zinc/42/23/31/621422331.db2.gz VNMZEBAPDUUNOC-ZIAGYGMSSA-N 0 1 278.396 2.893 20 30 CFEDMN C[C@@]1(C(=O)[O-])CCC[N@H+]1CCCCC1(C#N)CCC1 ZINC000903707609 621423508 /nfs/dbraw/zinc/42/35/08/621423508.db2.gz ZXESBUQZICMSAM-AWEZNQCLSA-N 0 1 264.369 2.790 20 30 CFEDMN C=CC[C@H](C)[N@H+]1CC[C@@H](c2ncc(C(=O)[O-])s2)C1 ZINC000903929060 621476013 /nfs/dbraw/zinc/47/60/13/621476013.db2.gz VJYLNMDLOMKIEP-VHSXEESVSA-N 0 1 266.366 2.595 20 30 CFEDMN C=CCCC[C@H](N)c1nc(-c2ccc3[nH]cnc3c2)no1 ZINC000904607155 621615783 /nfs/dbraw/zinc/61/57/83/621615783.db2.gz MQGJLPNMSMCZCA-NSHDSACASA-N 0 1 283.335 2.969 20 30 CFEDMN CN(C)Cc1ccc(-c2ccc(OCC#N)cn2)cc1F ZINC000904761342 621632595 /nfs/dbraw/zinc/63/25/95/621632595.db2.gz YZIIMLJFNKQIKD-UHFFFAOYSA-N 0 1 285.322 2.852 20 30 CFEDMN CCCn1cc(/C=C/C(=O)c2cccc(CN(C)C)c2)nn1 ZINC000905078528 621690297 /nfs/dbraw/zinc/69/02/97/621690297.db2.gz USEBGAUDLWJBJU-CMDGGOBGSA-N 0 1 298.390 2.646 20 30 CFEDMN C[C@@H](CC(C)(C)C#N)NCc1cn2ccsc2n1 ZINC000924802944 621743456 /nfs/dbraw/zinc/74/34/56/621743456.db2.gz YQMMYCSJEIEUFJ-JTQLQIEISA-N 0 1 262.382 2.814 20 30 CFEDMN N#CC1(C[C@H](O)CN[C@H]2c3ccccc3CC[C@H]2F)CC1 ZINC000905454849 621776350 /nfs/dbraw/zinc/77/63/50/621776350.db2.gz ZZFFDDQHCPPCCS-IMJJTQAJSA-N 0 1 288.366 2.656 20 30 CFEDMN C=CCNC(=O)[C@@H](C)N[C@H](CC)c1cc(F)ccc1OC ZINC000905861523 621881162 /nfs/dbraw/zinc/88/11/62/621881162.db2.gz HRQBQAHKDDNOLJ-BXUZGUMPSA-N 0 1 294.370 2.566 20 30 CFEDMN C=C[C@H](CC)CC(=O)N1[C@H](C)CN(C)[C@H](C)[C@@H]1C ZINC000905982338 621913703 /nfs/dbraw/zinc/91/37/03/621913703.db2.gz ABQNUDFJHOKLHQ-YIYPIFLZSA-N 0 1 252.402 2.528 20 30 CFEDMN N#Cc1c(F)cccc1-c1cnc([C@@H]2CCCCN2)nc1 ZINC000906175850 621945307 /nfs/dbraw/zinc/94/53/07/621945307.db2.gz BHRQIOAEAWBCLA-HNNXBMFYSA-N 0 1 282.322 2.969 20 30 CFEDMN N#Cc1ccc(-c2cnc([C@H]3CCCCN3)nc2)cc1 ZINC000906163889 621951114 /nfs/dbraw/zinc/95/11/14/621951114.db2.gz HUZXLTAZRSNLJT-OAHLLOKOSA-N 0 1 264.332 2.830 20 30 CFEDMN Cc1cc(C(=O)N[C@@H]2CCCc3cn[nH]c32)cc(C)c1C#N ZINC000907043492 622075511 /nfs/dbraw/zinc/07/55/11/622075511.db2.gz CAXVWPPCNHGQFU-OAHLLOKOSA-N 0 1 294.358 2.706 20 30 CFEDMN Cc1nc(C)c(C(=O)Nc2cc(C#N)ccc2NC2CC2)[nH]1 ZINC000907934239 622178258 /nfs/dbraw/zinc/17/82/58/622178258.db2.gz GLULHZBZMGCIRS-UHFFFAOYSA-N 0 1 295.346 2.725 20 30 CFEDMN CN(CC(=O)Nc1cc(C#N)ccc1NC1CC1)C1CCC1 ZINC000907933987 622178277 /nfs/dbraw/zinc/17/82/77/622178277.db2.gz DHPJBHNKHPYFRK-UHFFFAOYSA-N 0 1 298.390 2.555 20 30 CFEDMN Cc1cc(CC(=O)OCCCCC2(C#N)CCC2)n[nH]1 ZINC000909069339 622307465 /nfs/dbraw/zinc/30/74/65/622307465.db2.gz OIVVPNSVXJMCSR-UHFFFAOYSA-N 0 1 275.352 2.668 20 30 CFEDMN Cn1ccnc1NN=C1CC(C)(C)Oc2ccc(F)cc21 ZINC000819809175 622560923 /nfs/dbraw/zinc/56/09/23/622560923.db2.gz ATYCHYJDXDVOAV-UHFFFAOYSA-N 0 1 288.326 2.937 20 30 CFEDMN C[C@@H]1CCCC[C@@H]1C(=O)[C@H](C#N)C(=O)NC1CCCC1 ZINC000819947404 622580786 /nfs/dbraw/zinc/58/07/86/622580786.db2.gz BHSPUJAZCPHRRD-XBFCOCLRSA-N 0 1 276.380 2.580 20 30 CFEDMN C[C@@H]1CCCCN1NC(=O)C(F)(F)c1ccccc1C#N ZINC000912147490 622648725 /nfs/dbraw/zinc/64/87/25/622648725.db2.gz SVFPMCJRYDDQQE-LLVKDONJSA-N 0 1 293.317 2.556 20 30 CFEDMN C#CCNCC(=O)N([C@H](C)c1ccccc1Cl)C1CC1 ZINC000912330496 622682215 /nfs/dbraw/zinc/68/22/15/622682215.db2.gz CKIKTTRHSOWWJD-GFCCVEGCSA-N 0 1 290.794 2.615 20 30 CFEDMN C=CC1(CC(=O)NCc2n[nH]c(CC)n2)CCCCC1 ZINC000820879883 622780348 /nfs/dbraw/zinc/78/03/48/622780348.db2.gz PPUJYZCBDQRREK-UHFFFAOYSA-N 0 1 276.384 2.510 20 30 CFEDMN Fc1cccc(N2CCCC2)c1CN=Nc1cnccn1 ZINC000912962454 622805806 /nfs/dbraw/zinc/80/58/06/622805806.db2.gz XDCMPHKVQHJJMD-UHFFFAOYSA-N 0 1 285.326 2.662 20 30 CFEDMN C=CC[C@@H]1CCN(C(=O)[C@H]2c3cn[nH]c3CC[C@H]2C)C1 ZINC000912983541 622812394 /nfs/dbraw/zinc/81/23/94/622812394.db2.gz BZHDYPPLSLBHEW-LALPHHSUSA-N 0 1 273.380 2.500 20 30 CFEDMN N#C[C@@H]1CCC[C@H](OC(=O)c2cc3[nH]cnc3cc2F)C1 ZINC000821375990 622908528 /nfs/dbraw/zinc/90/85/28/622908528.db2.gz KPRMKPYDZMWBEM-ZJUUUORDSA-N 0 1 287.294 2.941 20 30 CFEDMN Cc1c(C(=O)NCC#CCN(C)C)oc2c1c(C)ccc2C ZINC000913517704 622910967 /nfs/dbraw/zinc/91/09/67/622910967.db2.gz MJKMBRSUGDUHBG-UHFFFAOYSA-N 0 1 298.386 2.653 20 30 CFEDMN N#CCCCOc1cccc(NCc2cnc[nH]2)c1 ZINC000054765060 622920353 /nfs/dbraw/zinc/92/03/53/622920353.db2.gz BIZGECMEQSXEIB-UHFFFAOYSA-N 0 1 256.309 2.704 20 30 CFEDMN N#CCOc1cccc(NC(=O)c2c(O)cccc2F)c1 ZINC000228838541 623164693 /nfs/dbraw/zinc/16/46/93/623164693.db2.gz MGVNVIUURWABMG-UHFFFAOYSA-N 0 1 286.262 2.686 20 30 CFEDMN C=CCCCCCCNC(=O)C(C)(C)CN1CCOCC1 ZINC000822918495 623202684 /nfs/dbraw/zinc/20/26/84/623202684.db2.gz MXDJMDVDRDVHHA-UHFFFAOYSA-N 0 1 296.455 2.598 20 30 CFEDMN COc1ccccc1NC(=O)C(C#N)C(=O)[C@@H](C)C(C)C ZINC000172021140 623253569 /nfs/dbraw/zinc/25/35/69/623253569.db2.gz XHROYOTZJPNHCF-NWDGAFQWSA-N 0 1 288.347 2.635 20 30 CFEDMN CN(CC#Cc1ccccc1)C[C@](C)(O)c1ccccc1 ZINC000823604399 623357947 /nfs/dbraw/zinc/35/79/47/623357947.db2.gz CKUMRABADAXKHG-IBGZPJMESA-N 0 1 279.383 2.878 20 30 CFEDMN C=CCN(C(=O)CN(C)C1CCC1)c1ccccc1 ZINC000173920782 623373753 /nfs/dbraw/zinc/37/37/53/623373753.db2.gz PLZBUTIGQRMXIR-UHFFFAOYSA-N 0 1 258.365 2.690 20 30 CFEDMN N#CC(C(=O)CCCC1CCCC1)C(=O)N1CCCC1 ZINC000173937011 623378269 /nfs/dbraw/zinc/37/82/69/623378269.db2.gz YDFNPWSCOTUIGB-CQSZACIVSA-N 0 1 276.380 2.678 20 30 CFEDMN C#C[C@H](NCc1ccc(Br)o1)C1CCOCC1 ZINC000827560330 623480027 /nfs/dbraw/zinc/48/00/27/623480027.db2.gz OYDOLKABARNHCR-LBPRGKRZSA-N 0 1 298.180 2.560 20 30 CFEDMN C#C[C@H](NCc1cc2c(cc1OC)C[C@@H](C)O2)C(C)C ZINC000312163673 623497499 /nfs/dbraw/zinc/49/74/99/623497499.db2.gz WQCMZZSPIZAIPN-DOMZBBRYSA-N 0 1 273.376 2.766 20 30 CFEDMN C#CCCOc1ccc(CN(C(C)C)C2COC2)cc1 ZINC000824471932 623510941 /nfs/dbraw/zinc/51/09/41/623510941.db2.gz JMJKZLDYWVHBPH-UHFFFAOYSA-N 0 1 273.376 2.698 20 30 CFEDMN Oc1c(Br)cccc1C=NOCC(F)F ZINC000758899005 623517083 /nfs/dbraw/zinc/51/70/83/623517083.db2.gz BWSRPRCIQLIASC-UHFFFAOYSA-N 0 1 280.068 2.770 20 30 CFEDMN N#CC1CCN(Cc2ccc(O[C@H]3CCOC3)cc2)CC1 ZINC000824645252 623539149 /nfs/dbraw/zinc/53/91/49/623539149.db2.gz BOHKDYDVJVKNPE-KRWDZBQOSA-N 0 1 286.375 2.590 20 30 CFEDMN C#CCN1CC[C@]2(NC(=O)c3cc(C)cc(C)c3)CCC[C@@H]12 ZINC000992443993 623561068 /nfs/dbraw/zinc/56/10/68/623561068.db2.gz ADKIXBWVKGTKLS-IEBWSBKVSA-N 0 1 296.414 2.663 20 30 CFEDMN C=C[C@@H]1OCC[C@H]1NCc1ccnc(Cl)c1Cl ZINC000824860984 623580106 /nfs/dbraw/zinc/58/01/06/623580106.db2.gz CFCHHXSPADAOQP-ZJUUUORDSA-N 0 1 273.163 2.822 20 30 CFEDMN N#Cc1ccc2nc(NC(=O)C3(C4CC4)CCC3)[nH]c2c1 ZINC000913717940 623568118 /nfs/dbraw/zinc/56/81/18/623568118.db2.gz NSWCRYYVOHCHJN-UHFFFAOYSA-N 0 1 280.331 2.953 20 30 CFEDMN C=C[C@@H]1OCC[C@H]1NCc1cc([N+](=O)[O-])ccc1Cl ZINC000824862371 623580005 /nfs/dbraw/zinc/58/00/05/623580005.db2.gz ZBYANEOJHCYSFT-OLZOCXBDSA-N 0 1 282.727 2.681 20 30 CFEDMN C#CCN1CC[C@@]2(NC(=O)c3cccc(C)c3C)CCC[C@@H]12 ZINC000992463849 623580497 /nfs/dbraw/zinc/58/04/97/623580497.db2.gz HFMYFHBTVALWJR-MJGOQNOKSA-N 0 1 296.414 2.663 20 30 CFEDMN C#CCOc1ccc(CNCc2cnn(CCC)c2)cc1 ZINC000824926201 623590190 /nfs/dbraw/zinc/59/01/90/623590190.db2.gz MHMNLSYJXOEZBE-UHFFFAOYSA-N 0 1 283.375 2.595 20 30 CFEDMN CC1(C)CCC(CC(=O)C(C#N)C(=O)N2CCCC2)CC1 ZINC000152159618 623656712 /nfs/dbraw/zinc/65/67/12/623656712.db2.gz WKVLIBQFBFCJLU-CQSZACIVSA-N 0 1 290.407 2.924 20 30 CFEDMN C#CC[N@@H+](Cc1ccc(Br)cc1[O-])C1CC1 ZINC000825520001 623707927 /nfs/dbraw/zinc/70/79/27/623707927.db2.gz QUVYYVFCZHLAOR-UHFFFAOYSA-N 0 1 280.165 2.752 20 30 CFEDMN C#CC[N@H+](Cc1ccc(Br)cc1[O-])C1CC1 ZINC000825520001 623707931 /nfs/dbraw/zinc/70/79/31/623707931.db2.gz QUVYYVFCZHLAOR-UHFFFAOYSA-N 0 1 280.165 2.752 20 30 CFEDMN C#C[C@H](CC)NCc1cncc(Br)c1C ZINC000825878967 623764686 /nfs/dbraw/zinc/76/46/86/623764686.db2.gz XYQVICPUGRVQGO-LLVKDONJSA-N 0 1 267.170 2.654 20 30 CFEDMN C#C[C@@H](NCc1cc(C)c(C(=O)OC)o1)C(C)(C)C ZINC000825940372 623772312 /nfs/dbraw/zinc/77/23/12/623772312.db2.gz VDORKPAYBKMJCR-GFCCVEGCSA-N 0 1 263.337 2.512 20 30 CFEDMN C#C[C@H](NCc1c(C(F)(F)F)cnn1C)C(C)(C)C ZINC000825940144 623772324 /nfs/dbraw/zinc/77/23/24/623772324.db2.gz NQEUUSZQOVMFMP-NSHDSACASA-N 0 1 273.302 2.576 20 30 CFEDMN C#C[C@H](NCc1c(C2CCC2)cnn1C)C(C)(C)C ZINC000825940412 623772456 /nfs/dbraw/zinc/77/24/56/623772456.db2.gz WNSRVPWOTGIARO-HNNXBMFYSA-N 0 1 259.397 2.825 20 30 CFEDMN C=CCN1CCC[C@@H](NC(=O)c2ccccc2C)[C@@H]1C ZINC000992988869 623832602 /nfs/dbraw/zinc/83/26/02/623832602.db2.gz HYHPPYOCUTYIOK-GOEBONIOSA-N 0 1 272.392 2.764 20 30 CFEDMN Cc1c(C(C)N=Nc2cnn(C)c2)cnn1C(C)(C)C ZINC000761866089 623839557 /nfs/dbraw/zinc/83/95/57/623839557.db2.gz PVCPMTKMKSBGHS-UHFFFAOYSA-N 0 1 274.372 2.516 20 30 CFEDMN C#CCCN1CCC[C@H](NC(=O)c2ccc(Cl)o2)[C@H]1C ZINC000993040906 623861890 /nfs/dbraw/zinc/86/18/90/623861890.db2.gz RQMBKBQJBQJUQI-NEPJUHHUSA-N 0 1 294.782 2.539 20 30 CFEDMN C=CCN1CCC[C@H](NC(=O)c2ccc(Cl)o2)[C@H]1C ZINC000993040391 623862147 /nfs/dbraw/zinc/86/21/47/623862147.db2.gz RGRAXLYNQQEXNE-MNOVXSKESA-N 0 1 282.771 2.702 20 30 CFEDMN C=CCCSCCNCc1cc(F)ncc1F ZINC000826915586 623909384 /nfs/dbraw/zinc/90/93/84/623909384.db2.gz PKCMAUVRTSBSRR-UHFFFAOYSA-N 0 1 258.337 2.759 20 30 CFEDMN C=CC[C@@H]1CCCN(Cc2cnn(C)c2Cl)C1 ZINC000826947718 623914073 /nfs/dbraw/zinc/91/40/73/623914073.db2.gz SLTKQXCKQBWOER-LLVKDONJSA-N 0 1 253.777 2.862 20 30 CFEDMN C[C@H]1CC(N=Nc2ccncn2)CN1Cc1ccccc1 ZINC000835000834 623925514 /nfs/dbraw/zinc/92/55/14/623925514.db2.gz APVURNMDUFXOBK-ZDUSSCGKSA-N 0 1 281.363 2.539 20 30 CFEDMN Clc1cnc(N=NC2CN3CCC2CC3)c(Cl)c1 ZINC000915048653 623974862 /nfs/dbraw/zinc/97/48/62/623974862.db2.gz UICCLNROIZAGSI-UHFFFAOYSA-N 0 1 285.178 2.882 20 30 CFEDMN CC(=NNC(=N)N)c1ccc(-c2ccc(F)cc2)s1 ZINC000915048633 623974938 /nfs/dbraw/zinc/97/49/38/623974938.db2.gz IXEKOAVGVUKEFT-UHFFFAOYSA-N 0 1 276.340 2.761 20 30 CFEDMN C#CCN1CCC(NC(=O)N[C@H](CC)c2ccccc2)CC1 ZINC000915244804 624005952 /nfs/dbraw/zinc/00/59/52/624005952.db2.gz WVFYFRPKKGKTEI-QGZVFWFLSA-N 0 1 299.418 2.535 20 30 CFEDMN CC#CCN1CCC[C@@H](NC(=O)c2cscc2C)[C@H]1C ZINC000993197556 624016374 /nfs/dbraw/zinc/01/63/74/624016374.db2.gz DIEKBIRXNXBHPS-UKRRQHHQSA-N 0 1 290.432 2.663 20 30 CFEDMN COc1ccc(N=NCc2ccc(C)nc2)c([N+](=O)[O-])c1 ZINC000764908449 624035874 /nfs/dbraw/zinc/03/58/74/624035874.db2.gz KYVMTJRMFOJIQU-UHFFFAOYSA-N 0 1 286.291 2.753 20 30 CFEDMN C#C[C@H]([NH2+]Cc1c([O-])cccc1Cl)C1CCOCC1 ZINC000827570359 624035889 /nfs/dbraw/zinc/03/58/89/624035889.db2.gz NCSBHFREMRFAFJ-AWEZNQCLSA-N 0 1 279.767 2.564 20 30 CFEDMN Cc1cc(N(C)C)ccc1CN1CC[C@](C)(C#N)C1 ZINC000827650051 624051304 /nfs/dbraw/zinc/05/13/04/624051304.db2.gz MREFWYXVOOORRR-MRXNPFEDSA-N 0 1 257.381 2.797 20 30 CFEDMN C[C@]1(C#N)CCN(Cc2cccc(Cl)c2O)C1 ZINC000827650717 624052194 /nfs/dbraw/zinc/05/21/94/624052194.db2.gz VNVCSUVXFHQKDZ-CYBMUJFWSA-N 0 1 250.729 2.781 20 30 CFEDMN C=CCN1CCC[C@H](NC(=O)c2ccoc2CC)[C@@H]1C ZINC000993264014 624059771 /nfs/dbraw/zinc/05/97/71/624059771.db2.gz LQFWCZYKTHQHIT-JSGCOSHPSA-N 0 1 276.380 2.611 20 30 CFEDMN C=CCN1CCC[C@H](NC(=O)c2c(C)coc2C)[C@@H]1C ZINC000993281105 624061170 /nfs/dbraw/zinc/06/11/70/624061170.db2.gz ORDKDCWHEWTRFJ-JSGCOSHPSA-N 0 1 276.380 2.665 20 30 CFEDMN Cc1cn[nH]c1CSc1nc(C)cc(C)c1C#N ZINC000915566966 624079515 /nfs/dbraw/zinc/07/95/15/624079515.db2.gz GRCRAYIRODLYRS-UHFFFAOYSA-N 0 1 258.350 2.894 20 30 CFEDMN C=CCN1CCC[C@H](NC(=O)C2CC(C)(C)C2)[C@H]1C ZINC000993327224 624100798 /nfs/dbraw/zinc/10/07/98/624100798.db2.gz KUCIPHVYOBJTQV-OCCSQVGLSA-N 0 1 264.413 2.578 20 30 CFEDMN C#CCC[N@@H+](CCOC)Cc1cc(Cl)ccc1[O-] ZINC000827823451 624102499 /nfs/dbraw/zinc/10/24/99/624102499.db2.gz PFQIUZDCCMKYEP-UHFFFAOYSA-N 0 1 267.756 2.517 20 30 CFEDMN C#CCC[N@H+](CCOC)Cc1cc(Cl)ccc1[O-] ZINC000827823451 624102500 /nfs/dbraw/zinc/10/25/00/624102500.db2.gz PFQIUZDCCMKYEP-UHFFFAOYSA-N 0 1 267.756 2.517 20 30 CFEDMN C#CCCN(CCOC)Cc1cc(-c2ccccc2)n[nH]1 ZINC000827823606 624103862 /nfs/dbraw/zinc/10/38/62/624103862.db2.gz QYPPSSMGMGIVKM-UHFFFAOYSA-N 0 1 283.375 2.548 20 30 CFEDMN C#CCCN(CCOC)Cc1c(F)cccc1CC ZINC000827827685 624104956 /nfs/dbraw/zinc/10/49/56/624104956.db2.gz XLNRMTIBGMYMOU-UHFFFAOYSA-N 0 1 263.356 2.860 20 30 CFEDMN C[C@]1(C(=O)Nc2cc(C#N)ccc2O)CC=CCC1 ZINC000827829256 624105116 /nfs/dbraw/zinc/10/51/16/624105116.db2.gz KQCRBRHJYCADGP-HNNXBMFYSA-N 0 1 256.305 2.949 20 30 CFEDMN N#Cc1ccc(O)c(NC(=O)C2(C(F)(F)F)CCC2)c1 ZINC000827830037 624105123 /nfs/dbraw/zinc/10/51/23/624105123.db2.gz TYTGPRJJNVPHOP-UHFFFAOYSA-N 0 1 284.237 2.935 20 30 CFEDMN C=CCN1CCC[C@@H](NC(=O)c2ccc(CC)o2)[C@@H]1C ZINC000993480992 624148261 /nfs/dbraw/zinc/14/82/61/624148261.db2.gz DOVBDEIFSAXXOR-GXTWGEPZSA-N 0 1 276.380 2.611 20 30 CFEDMN CC#CCN1CCC[C@H](NC(=O)C(C)(C)C2CCC2)[C@@H]1C ZINC000993636288 624154876 /nfs/dbraw/zinc/15/48/76/624154876.db2.gz OYXVRKJCZBLFMI-HOCLYGCPSA-N 0 1 290.451 2.805 20 30 CFEDMN CC#CCN1CCC[C@@H](NC(=O)C(C)(C)C2CCC2)[C@H]1C ZINC000993636281 624155055 /nfs/dbraw/zinc/15/50/55/624155055.db2.gz OYXVRKJCZBLFMI-GDBMZVCRSA-N 0 1 290.451 2.805 20 30 CFEDMN C=CCN1CCC[C@@H](NC(=O)c2ccn(CC)c2C)[C@H]1C ZINC000993703755 624163206 /nfs/dbraw/zinc/16/32/06/624163206.db2.gz NCCYDFVXWOQLHU-GDBMZVCRSA-N 0 1 289.423 2.585 20 30 CFEDMN C=CCN1CCC[C@H](NC(=O)C2CCC(=C)CC2)[C@H]1C ZINC000993741181 624163603 /nfs/dbraw/zinc/16/36/03/624163603.db2.gz KBWBQQJRCCUWIE-ZBFHGGJFSA-N 0 1 276.424 2.888 20 30 CFEDMN C=CCN1CCC[C@@H](NC(=O)c2cc(C)cc(F)c2)[C@H]1C ZINC000993832193 624170942 /nfs/dbraw/zinc/17/09/42/624170942.db2.gz BAURKHTUEWYMFX-CZUORRHYSA-N 0 1 290.382 2.903 20 30 CFEDMN C=CCN1CCC[C@H](NC(=O)c2ccc3cc[nH]c3c2)[C@@H]1C ZINC000993904561 624173907 /nfs/dbraw/zinc/17/39/07/624173907.db2.gz PZOHOZFIGNFQAW-BBRMVZONSA-N 0 1 297.402 2.937 20 30 CFEDMN CC#CCN1CCC[C@H](NC(=O)c2csc(C)c2)[C@H]1C ZINC000994004075 624177329 /nfs/dbraw/zinc/17/73/29/624177329.db2.gz ICAFRPZSKFTYCG-HIFRSBDPSA-N 0 1 290.432 2.663 20 30 CFEDMN C=CCN(C[C@@H]1CN(C2CCCCC2)C(=O)O1)C1CC1 ZINC000828132636 624180511 /nfs/dbraw/zinc/18/05/11/624180511.db2.gz LKARQSUNLWEWEC-OAHLLOKOSA-N 0 1 278.396 2.790 20 30 CFEDMN Cn1c2ccccc2nc1NN=Cc1cnn(C(C)(C)C)c1 ZINC000915968095 624195991 /nfs/dbraw/zinc/19/59/91/624195991.db2.gz RUHZDFWRDDDQRF-UHFFFAOYSA-N 0 1 296.378 2.971 20 30 CFEDMN CCOc1ccc(O)c(C=NNc2cc(C)nc(C)n2)c1 ZINC000915970911 624197197 /nfs/dbraw/zinc/19/71/97/624197197.db2.gz SSQZZATWQLNZCJ-UHFFFAOYSA-N 0 1 286.335 2.644 20 30 CFEDMN Cc1[nH]c2ccccc2c1C=NNCCN1CCCCC1 ZINC000915974416 624198671 /nfs/dbraw/zinc/19/86/71/624198671.db2.gz TZEWGILUGQRWQI-UHFFFAOYSA-N 0 1 284.407 2.886 20 30 CFEDMN CCCOc1ccc(C=NNCCN2CCCCC2)cc1 ZINC000915973514 624198823 /nfs/dbraw/zinc/19/88/23/624198823.db2.gz KHCBHFYNDAARDW-UHFFFAOYSA-N 0 1 289.423 2.885 20 30 CFEDMN CCC(=NNCCN1CCCCC1)c1cccs1 ZINC000915975847 624200001 /nfs/dbraw/zinc/20/00/01/624200001.db2.gz XQRBDPUSFABHPG-UHFFFAOYSA-N 0 1 265.426 2.938 20 30 CFEDMN Cc1cc(O)cc2c1C(=O)C(=NNc1ccc(C#N)cc1)O2 ZINC000915962173 624202554 /nfs/dbraw/zinc/20/25/54/624202554.db2.gz NZVNKILGOVXTEX-UHFFFAOYSA-N 0 1 293.282 2.573 20 30 CFEDMN C[C@]1(C(=O)Nc2nc3ccc(C#N)cc3[nH]2)C=CCC1 ZINC000828261412 624215969 /nfs/dbraw/zinc/21/59/69/624215969.db2.gz NIUYXRVCHGXLNU-HNNXBMFYSA-N 0 1 266.304 2.729 20 30 CFEDMN C=CCN(CC=C)C(=O)CN1Cc2ccccc2[C@@H](C)C1 ZINC000916151191 624227260 /nfs/dbraw/zinc/22/72/60/624227260.db2.gz BQXJRJTUENUVET-HNNXBMFYSA-N 0 1 284.403 2.806 20 30 CFEDMN CCCCN(CC)Cc1nc2ccccc2c(=O)n1CC#N ZINC000916639330 624269239 /nfs/dbraw/zinc/26/92/39/624269239.db2.gz RSKDRXLTZKLZBG-UHFFFAOYSA-N 0 1 298.390 2.542 20 30 CFEDMN C#CCN1CCC[C@H](NC(=O)c2ccc(C)cc2C)[C@H]1C ZINC000994342325 624276923 /nfs/dbraw/zinc/27/69/23/624276923.db2.gz AIIKWUMPFJPUMD-WBVHZDCISA-N 0 1 284.403 2.519 20 30 CFEDMN C#CCC[N@@H+]1CCC[C@@H](NC(=O)c2ccc(C)cc2C)[C@H]1C ZINC000994358347 624278499 /nfs/dbraw/zinc/27/84/99/624278499.db2.gz ZZVIZKJMKUENMI-SJLPKXTDSA-N 0 1 298.430 2.909 20 30 CFEDMN CCCCCCNC(=O)C(C#N)C(=O)C(CC)CC ZINC000916875684 624290254 /nfs/dbraw/zinc/29/02/54/624290254.db2.gz HMIJPGIJSDAYFT-ZDUSSCGKSA-N 0 1 266.385 2.828 20 30 CFEDMN C=CCN(CC(=O)N(C)Cc1ccccc1F)C(C)C ZINC000917070797 624307944 /nfs/dbraw/zinc/30/79/44/624307944.db2.gz FOKOQCFBNBNMSO-UHFFFAOYSA-N 0 1 278.371 2.681 20 30 CFEDMN C=CCN(CC(=O)NCCC1=CCCCC1)C(C)C ZINC000917070949 624307981 /nfs/dbraw/zinc/30/79/81/624307981.db2.gz KPYWGRKCIOUCMC-UHFFFAOYSA-N 0 1 264.413 2.890 20 30 CFEDMN C=CCN(CC(=O)N[C@@H]1CCCC[C@H]1C)C(C)C ZINC000917070875 624308198 /nfs/dbraw/zinc/30/81/98/624308198.db2.gz IPSYBXCURCODJQ-ZIAGYGMSSA-N 0 1 252.402 2.578 20 30 CFEDMN C=CCN1CCC[C@@H](NC(=O)c2ccc(CF)cc2)[C@@H]1C ZINC000994498889 624314768 /nfs/dbraw/zinc/31/47/68/624314768.db2.gz UTVWPAAMRJSTJZ-XJKSGUPXSA-N 0 1 290.382 2.925 20 30 CFEDMN C=CCN(CC(=O)NCCO[C@H]1CCCC[C@H]1C)C(C)C ZINC000917168717 624320619 /nfs/dbraw/zinc/32/06/19/624320619.db2.gz XYCNTHMHVZHGCO-CVEARBPZSA-N 0 1 296.455 2.594 20 30 CFEDMN C=CCN(CC(=O)N(C)[C@H]1CCCC[C@@H]1C)C(C)C ZINC000917167989 624320717 /nfs/dbraw/zinc/32/07/17/624320717.db2.gz LARCGHWIJAERDR-GJZGRUSLSA-N 0 1 266.429 2.920 20 30 CFEDMN C=CCN1CCC[C@H](NC(=O)c2c(C)cccc2F)[C@@H]1C ZINC000994515222 624325448 /nfs/dbraw/zinc/32/54/48/624325448.db2.gz CBSZWWRYOIIFAD-ZFWWWQNUSA-N 0 1 290.382 2.903 20 30 CFEDMN Cc1[nH][nH]c(=O)c1Sc1ccc(C#N)c(C(F)(F)F)c1 ZINC000917413291 624340598 /nfs/dbraw/zinc/34/05/98/624340598.db2.gz ZROPSLPDGOMAON-JTQLQIEISA-N 0 1 299.277 2.543 20 30 CFEDMN Cc1cc(F)c(C#N)cc1NC(=O)[C@H]1CCCN1C(C)C ZINC000828985050 624348203 /nfs/dbraw/zinc/34/82/03/624348203.db2.gz ODESXDZVHRDCML-OAHLLOKOSA-N 0 1 289.354 2.817 20 30 CFEDMN C=C[C@H](CC)CC(=O)N1CCc2nc[nH]c2C12CCC2 ZINC000829052245 624361556 /nfs/dbraw/zinc/36/15/56/624361556.db2.gz SZBJPZWJQQCHOC-GFCCVEGCSA-N 0 1 273.380 2.776 20 30 CFEDMN O=C(OCC#Cc1ccccc1)c1cc(-c2ccco2)n[nH]1 ZINC000917950892 624399912 /nfs/dbraw/zinc/39/99/12/624399912.db2.gz LKILXDMILXFBCW-UHFFFAOYSA-N 0 1 292.294 2.878 20 30 CFEDMN C=CCN(CCCS(=O)(=O)c1ccccc1)C(C)C ZINC000918187046 624427118 /nfs/dbraw/zinc/42/71/18/624427118.db2.gz QKBKICNKJRMJSS-UHFFFAOYSA-N 0 1 281.421 2.747 20 30 CFEDMN C#CC[C@H]1CCCN(CC(=O)Nc2cc(C)ccc2C)C1 ZINC000829779130 624534351 /nfs/dbraw/zinc/53/43/51/624534351.db2.gz NRSNHGQWMRPZJP-INIZCTEOSA-N 0 1 284.403 2.977 20 30 CFEDMN C#CC[C@H]1CCCN(Cc2cn(-c3ccccc3)nn2)C1 ZINC000829784961 624537044 /nfs/dbraw/zinc/53/70/44/624537044.db2.gz OHWUFAKXHZDIKM-HNNXBMFYSA-N 0 1 280.375 2.503 20 30 CFEDMN C#CC[C@@H]1CCCN(CC(=O)Nc2c(C)cccc2C)C1 ZINC000829789029 624538045 /nfs/dbraw/zinc/53/80/45/624538045.db2.gz MEUAMOLRILWZFG-MRXNPFEDSA-N 0 1 284.403 2.977 20 30 CFEDMN C#CC[C@@H]1CCCN(CC(=O)Nc2ccc(C)cc2)C1 ZINC000829785743 624538158 /nfs/dbraw/zinc/53/81/58/624538158.db2.gz YUSINXKTDUXWMY-OAHLLOKOSA-N 0 1 270.376 2.669 20 30 CFEDMN CCC/C=C\C(=O)OCC(=O)[C@@H](C#N)c1nc(C)cs1 ZINC000919241715 624545532 /nfs/dbraw/zinc/54/55/32/624545532.db2.gz CWTKIEIXVZMMGU-ISALQUGTSA-N 0 1 292.360 2.527 20 30 CFEDMN CCC/C=C\C(=O)OCC(=O)C(C#N)c1nc(C)cs1 ZINC000919241715 624545539 /nfs/dbraw/zinc/54/55/39/624545539.db2.gz CWTKIEIXVZMMGU-ISALQUGTSA-N 0 1 292.360 2.527 20 30 CFEDMN C#CC1CCN(CCOc2ccccc2C(C)=O)CC1 ZINC000830300879 624703907 /nfs/dbraw/zinc/70/39/07/624703907.db2.gz BVTLXQOTSAMANP-UHFFFAOYSA-N 0 1 271.360 2.613 20 30 CFEDMN C#CC1CCN(CC(=O)N(C)Cc2ccc(CC)cc2)CC1 ZINC000830311422 624704325 /nfs/dbraw/zinc/70/43/25/624704325.db2.gz NHLSSHQYVBBTOI-UHFFFAOYSA-N 0 1 298.430 2.553 20 30 CFEDMN C#CC1CCN([C@@H](C)C(=O)Nc2cc(C)ccc2C)CC1 ZINC000830311845 624706564 /nfs/dbraw/zinc/70/65/64/624706564.db2.gz XLQDMUFGIKKHIC-HNNXBMFYSA-N 0 1 284.403 2.976 20 30 CFEDMN C#CC1CCN(Cc2ccc([N+](=O)[O-])c(F)c2)CC1 ZINC000830345889 624715861 /nfs/dbraw/zinc/71/58/61/624715861.db2.gz XXECJJJUIHBVDX-UHFFFAOYSA-N 0 1 262.284 2.579 20 30 CFEDMN C#CC1CCN(Cc2ccc([N+](=O)[O-])c(OCC)c2)CC1 ZINC000830345862 624716417 /nfs/dbraw/zinc/71/64/17/624716417.db2.gz WWDRNJAMXNVFFP-UHFFFAOYSA-N 0 1 288.347 2.839 20 30 CFEDMN C#CCCN1CCN(Cc2cccc(C(F)(F)F)c2)CC1 ZINC000920415968 624719657 /nfs/dbraw/zinc/71/96/57/624719657.db2.gz OLYYOACEJDVPBZ-UHFFFAOYSA-N 0 1 296.336 2.846 20 30 CFEDMN C[Si](C)(C)c1ccc(CNCc2ccc(C#N)o2)cc1 ZINC000830397309 624730415 /nfs/dbraw/zinc/73/04/15/624730415.db2.gz DFHYXFIRFRFVPO-UHFFFAOYSA-N 0 1 284.435 2.986 20 30 CFEDMN C=C(C)CNC(=S)NC[C@@H](c1ccco1)N(CC)CC ZINC000921270645 624833679 /nfs/dbraw/zinc/83/36/79/624833679.db2.gz ZYMFLMTWIVNSIZ-ZDUSSCGKSA-N 0 1 295.452 2.703 20 30 CFEDMN C#CCNC(=O)[C@@H](C)N1CC2(CC=CC2)[C@@H]1c1ccccc1 ZINC000830746408 624837185 /nfs/dbraw/zinc/83/71/85/624837185.db2.gz XKRPHJQLCWYTPR-WBVHZDCISA-N 0 1 294.398 2.518 20 30 CFEDMN N#Cc1ccc(Br)c(CNC2CC2)c1 ZINC000921471539 624901956 /nfs/dbraw/zinc/90/19/56/624901956.db2.gz HZYVMXTZNZKENZ-UHFFFAOYSA-N 0 1 251.127 2.573 20 30 CFEDMN C#C[C@H]1CCCC[C@@H]1OC(=O)c1ccc2cncn2c1 ZINC000851538233 634418901 /nfs/dbraw/zinc/41/89/01/634418901.db2.gz VOLYODXPLNRNGJ-WFASDCNBSA-N 0 1 268.316 2.683 20 30 CFEDMN C#C[C@@H]1CCCC[C@H]1OC(=O)c1ccc2cncn2c1 ZINC000851538229 634419312 /nfs/dbraw/zinc/41/93/12/634419312.db2.gz VOLYODXPLNRNGJ-IUODEOHRSA-N 0 1 268.316 2.683 20 30 CFEDMN Cc1nn(C)c(C)c1C(=O)/C=C/c1cc(F)c(O)c(F)c1 ZINC000175325466 624947723 /nfs/dbraw/zinc/94/77/23/624947723.db2.gz CFRHDGPBBVLZDW-SNAWJCMRSA-N 0 1 292.285 2.917 20 30 CFEDMN Cn1ncc2c1CC/C(=C\c1cc(F)c(O)c(F)c1)C2=O ZINC000175324243 624947827 /nfs/dbraw/zinc/94/78/27/624947827.db2.gz WWYORPPLBDACLX-RUDMXATFSA-N 0 1 290.269 2.616 20 30 CFEDMN C=C1CCC(CNC(=O)c2n[nH]nc2-c2ccccc2)CC1 ZINC000830994397 624949114 /nfs/dbraw/zinc/94/91/14/624949114.db2.gz KWYPASSTNFMIIC-UHFFFAOYSA-N 0 1 296.374 2.948 20 30 CFEDMN CC[C@H](OC1CCCC1)C(=O)Nc1cc(C#N)ccc1O ZINC000179740816 624976090 /nfs/dbraw/zinc/97/60/90/624976090.db2.gz MFVCGKUWQQPECF-HNNXBMFYSA-N 0 1 288.347 2.940 20 30 CFEDMN N#CC(C(=O)CSC[C@H]1CCCCO1)c1ccccn1 ZINC000171364301 625071957 /nfs/dbraw/zinc/07/19/57/625071957.db2.gz STRIWTKEWCDQPO-CHWSQXEVSA-N 0 1 290.388 2.560 20 30 CFEDMN CCCCCNC(=O)C(C#N)C(=O)CCCCC ZINC000069911277 625244041 /nfs/dbraw/zinc/24/40/41/625244041.db2.gz IUUBVEGIKDFIJM-LBPRGKRZSA-N 0 1 252.358 2.582 20 30 CFEDMN CCCCCNC(=O)C(C#N)C(=O)C1CCCCC1 ZINC000069911275 625243863 /nfs/dbraw/zinc/24/38/63/625243863.db2.gz LEWYALHABRJYTB-CYBMUJFWSA-N 0 1 264.369 2.582 20 30 CFEDMN C#CCOc1ccc(CN2C[C@@H](C)OC[C@@H]2CC)cc1 ZINC000768174249 625873321 /nfs/dbraw/zinc/87/33/21/625873321.db2.gz XIAGOVCTDSPWME-ZBFHGGJFSA-N 0 1 273.376 2.698 20 30 CFEDMN C=C(Cl)CN[C@H]1CN(C(=O)c2cocc2C)CC1(C)C ZINC000996149602 625879652 /nfs/dbraw/zinc/87/96/52/625879652.db2.gz JAGHUJAVUBZLQZ-ZDUSSCGKSA-N 0 1 296.798 2.781 20 30 CFEDMN COc1ccc(CNN=C2CCCc3nc(N)ccc32)cc1 ZINC000834942593 625929926 /nfs/dbraw/zinc/92/99/26/625929926.db2.gz PHEWJGZHSATWGN-UHFFFAOYSA-N 0 1 296.374 2.503 20 30 CFEDMN C[C@H]1C(N=Nc2ccncn2)CCN1Cc1ccccc1 ZINC000835000256 625949659 /nfs/dbraw/zinc/94/96/59/625949659.db2.gz CDWXTTIMLVBQSB-ZDUSSCGKSA-N 0 1 281.363 2.539 20 30 CFEDMN CC1(C)CC(=NNc2ccncn2)c2ccc(F)cc2O1 ZINC000835001329 625950699 /nfs/dbraw/zinc/95/06/99/625950699.db2.gz HDOWARNVMIYVAS-UHFFFAOYSA-N 0 1 286.310 2.993 20 30 CFEDMN CCN(CC)c1ccc(C=NOC(C)C)c(O)c1 ZINC000835003775 625951554 /nfs/dbraw/zinc/95/15/54/625951554.db2.gz BZLGZYDXISSLKD-UHFFFAOYSA-N 0 1 250.342 2.997 20 30 CFEDMN C#CCNN=C([C@H](C)OCc1ccccc1)C(F)(F)F ZINC000835008503 625955089 /nfs/dbraw/zinc/95/50/89/625955089.db2.gz HCTPLVXOMJPFEP-NSHDSACASA-N 0 1 284.281 2.733 20 30 CFEDMN C=C1CCC(CNC(=O)N[C@H](C)Cc2cc(C)[nH]n2)CC1 ZINC000921534871 625979742 /nfs/dbraw/zinc/97/97/42/625979742.db2.gz VKGCMINLANYGEZ-GFCCVEGCSA-N 0 1 290.411 2.695 20 30 CFEDMN N#C[C@@H](NC(=O)c1cc(F)cc2nc[nH]c21)C1CCCC1 ZINC000921542115 625980975 /nfs/dbraw/zinc/98/09/75/625980975.db2.gz PBDBJDWEWUVBAI-CYBMUJFWSA-N 0 1 286.310 2.514 20 30 CFEDMN N#Cc1ccc(CNCc2cnn(C3CCC3)c2)cc1 ZINC000921544109 625981317 /nfs/dbraw/zinc/98/13/17/625981317.db2.gz PTIVENLJKKIBMC-UHFFFAOYSA-N 0 1 266.348 2.770 20 30 CFEDMN C=CCCC[C@H](NC(=O)C1=NC(=O)N(C)C1)c1ccccc1 ZINC000921646421 626039082 /nfs/dbraw/zinc/03/90/82/626039082.db2.gz SNZVTTDBEVJEER-AWEZNQCLSA-N 0 1 299.374 2.953 20 30 CFEDMN C=C(Cl)CN[C@@H]1CCCN(C(=O)c2ccccc2C)C1 ZINC000998436107 626050582 /nfs/dbraw/zinc/05/05/82/626050582.db2.gz IGGOZNHAVIUOPW-CQSZACIVSA-N 0 1 292.810 2.942 20 30 CFEDMN C=C(Cl)CN[C@@H]1CCCN(C(=O)[C@H]2CC=CCC2)C1 ZINC000998506207 626054252 /nfs/dbraw/zinc/05/42/52/626054252.db2.gz NDVQHVLENMWLDZ-UONOGXRCSA-N 0 1 282.815 2.676 20 30 CFEDMN CC[C@](C)(CO)NCc1cc(C#N)ccc1Br ZINC000921667101 626054718 /nfs/dbraw/zinc/05/47/18/626054718.db2.gz AJJIHKRSKDLOTB-CYBMUJFWSA-N 0 1 297.196 2.571 20 30 CFEDMN C=C(Cl)CN[C@@H]1CCCN(C(=O)CC(C)(C)C)C1 ZINC000998536231 626055313 /nfs/dbraw/zinc/05/53/13/626055313.db2.gz OKVIIMMHDACSQF-GFCCVEGCSA-N 0 1 272.820 2.756 20 30 CFEDMN C=C(Cl)CN[C@H]1CCCN(C(=O)CC2CCC2)C1 ZINC000998815607 626061903 /nfs/dbraw/zinc/06/19/03/626061903.db2.gz ADQWNQXECVAUOH-ZDUSSCGKSA-N 0 1 270.804 2.510 20 30 CFEDMN C=C(Cl)CN[C@H]1CCCN(C(=O)c2c(C)coc2C)C1 ZINC000999072847 626065366 /nfs/dbraw/zinc/06/53/66/626065366.db2.gz NHMCTENVHMXCGM-ZDUSSCGKSA-N 0 1 296.798 2.843 20 30 CFEDMN C=C(Cl)CN[C@H]1CCCN(C(=O)C[C@@H]2C[C@H]2C2CC2)C1 ZINC000999759463 626079184 /nfs/dbraw/zinc/07/91/84/626079184.db2.gz CFEIDYPYMFFERK-KKUMJFAQSA-N 0 1 296.842 2.756 20 30 CFEDMN C=C(Cl)CN[C@@H]1CCCN(C(=O)[C@]23C[C@H]2CCC3)C1 ZINC000999746172 626080000 /nfs/dbraw/zinc/08/00/00/626080000.db2.gz QEZXXPJGBOZVBU-UMVBOHGHSA-N 0 1 282.815 2.510 20 30 CFEDMN C=C(Cl)CN[C@@H]1CCCN(C(=O)C2(C)CCCC2)C1 ZINC000999833432 626081965 /nfs/dbraw/zinc/08/19/65/626081965.db2.gz LHYNZRXSMKCFLP-CYBMUJFWSA-N 0 1 284.831 2.900 20 30 CFEDMN C=C(Cl)CN[C@@H]1CCCN(C(=O)[C@H](C)C(F)(F)F)C1 ZINC000999892944 626082375 /nfs/dbraw/zinc/08/23/75/626082375.db2.gz FZKNYKACKKCQRC-VHSXEESVSA-N 0 1 298.736 2.518 20 30 CFEDMN C=C(Cl)CN[C@@H]1CCCN(C(=O)C(C)(C)CC)C1 ZINC001000042061 626086266 /nfs/dbraw/zinc/08/62/66/626086266.db2.gz BZYFYFKRTIOICS-GFCCVEGCSA-N 0 1 272.820 2.756 20 30 CFEDMN C=C(Cl)CN[C@H]1CCCN(C(=O)C(C)(C)C(F)F)C1 ZINC001000145915 626090747 /nfs/dbraw/zinc/09/07/47/626090747.db2.gz VCUIPFFIMSGKHW-JTQLQIEISA-N 0 1 294.773 2.611 20 30 CFEDMN C=C(Cl)CN[C@H](C)c1ccc2c(c1)CCC(=O)N2 ZINC000773003464 626095266 /nfs/dbraw/zinc/09/52/66/626095266.db2.gz DEMHTDSPTLFNLK-SNVBAGLBSA-N 0 1 264.756 2.974 20 30 CFEDMN C=CC[C@H](NCc1cnn(CCF)c1)c1ccncc1 ZINC000921746601 626105342 /nfs/dbraw/zinc/10/53/42/626105342.db2.gz GHBLZZCUFOVYHM-HNNXBMFYSA-N 0 1 274.343 2.655 20 30 CFEDMN CN(C)c1ccccc1CNCc1csc(C#N)c1 ZINC000921761448 626110477 /nfs/dbraw/zinc/11/04/77/626110477.db2.gz XJKUBEUZOFIAIJ-UHFFFAOYSA-N 0 1 271.389 2.976 20 30 CFEDMN CC#CCN1CC=C(CNC(=O)[C@H]2CCC[C@H](C)C2)CC1 ZINC001001111515 626145674 /nfs/dbraw/zinc/14/56/74/626145674.db2.gz QPLIKNLZLWDAPF-RDJZCZTQSA-N 0 1 288.435 2.584 20 30 CFEDMN CC#CCN1CC=C(CNC(=O)[C@H]2CCC[C@H]2CC)CC1 ZINC001001116998 626146066 /nfs/dbraw/zinc/14/60/66/626146066.db2.gz QWGBBKISODELBS-SJORKVTESA-N 0 1 288.435 2.584 20 30 CFEDMN C=CCN(Cc1cccs1)C[C@H](O)c1ccccn1 ZINC000851711903 634483038 /nfs/dbraw/zinc/48/30/38/634483038.db2.gz IDTAEJZGBCDSIT-HNNXBMFYSA-N 0 1 274.389 2.865 20 30 CFEDMN COc1ccc(CNCc2ccc(C#N)cn2)c(C)c1 ZINC000922034831 626199329 /nfs/dbraw/zinc/19/93/29/626199329.db2.gz RPWVEGAOUNFZCS-UHFFFAOYSA-N 0 1 267.332 2.560 20 30 CFEDMN C=CCN1CC[C@H](NC(=O)[C@@H]2CCCCc3ccccc32)C1 ZINC001016351649 626206579 /nfs/dbraw/zinc/20/65/79/626206579.db2.gz CNAUUURGJCDOSU-FUHWJXTLSA-N 0 1 298.430 2.873 20 30 CFEDMN C#Cc1ccc(CNCc2cnn(C3CCC3)c2)cc1 ZINC000922154986 626220148 /nfs/dbraw/zinc/22/01/48/626220148.db2.gz RMFISIFHRPLUHS-UHFFFAOYSA-N 0 1 265.360 2.879 20 30 CFEDMN CC#CCN1CCC(NC(=O)C2CCCCCCC2)CC1 ZINC001003286851 626224915 /nfs/dbraw/zinc/22/49/15/626224915.db2.gz SSDRAVVMKNPLPG-UHFFFAOYSA-N 0 1 290.451 2.951 20 30 CFEDMN C#CCN1CCC(NC(=O)c2cc(C)ccc2C2CC2)CC1 ZINC001003373556 626226252 /nfs/dbraw/zinc/22/62/52/626226252.db2.gz XYXHRLQZXDJCFA-UHFFFAOYSA-N 0 1 296.414 2.700 20 30 CFEDMN CC#CCN1CCC(NC(=O)C2(C3CCC3)CCC2)CC1 ZINC001003392056 626227398 /nfs/dbraw/zinc/22/73/98/626227398.db2.gz VFJJFJUJCKNBKH-UHFFFAOYSA-N 0 1 288.435 2.561 20 30 CFEDMN CCn1cc([C@H](C)NCc2csc(C#N)c2)cn1 ZINC000922168870 626229686 /nfs/dbraw/zinc/22/96/86/626229686.db2.gz OBEZURUOXLNNTC-JTQLQIEISA-N 0 1 260.366 2.687 20 30 CFEDMN C=C1CC(C)(C(=O)NC2CCN(C[C@H](F)CC)CC2)C1 ZINC001003596182 626240938 /nfs/dbraw/zinc/24/09/38/626240938.db2.gz OBIILCSTNVNYSX-CYBMUJFWSA-N 0 1 282.403 2.671 20 30 CFEDMN C[C@@H]1C[C@H](NCc2cc(C#N)ccc2Br)CO1 ZINC000922216437 626242876 /nfs/dbraw/zinc/24/28/76/626242876.db2.gz WXWGFWCJIKSPIG-SKDRFNHKSA-N 0 1 295.180 2.588 20 30 CFEDMN Cc1nocc1CNCc1c(C)cc(C#N)cc1C ZINC000922302267 626264436 /nfs/dbraw/zinc/26/44/36/626264436.db2.gz OMFQTCRTEPBFQU-UHFFFAOYSA-N 0 1 255.321 2.761 20 30 CFEDMN CC#CCN1CCC(NC(=O)[C@@H]2C[C@]2(CC)C(C)C)CC1 ZINC001003877089 626265130 /nfs/dbraw/zinc/26/51/30/626265130.db2.gz GKUDDRFANRDBEJ-FUHWJXTLSA-N 0 1 290.451 2.663 20 30 CFEDMN CC#CCN1CCC(NC(=O)c2ccc(C3CC3)cc2)CC1 ZINC001004188505 626301575 /nfs/dbraw/zinc/30/15/75/626301575.db2.gz GKOPEUKBKLVSJF-UHFFFAOYSA-N 0 1 296.414 2.782 20 30 CFEDMN Cc1ccc(CNCc2ccc(F)nc2C)cc1C#N ZINC000922759989 626359587 /nfs/dbraw/zinc/35/95/87/626359587.db2.gz MSSBQZNCZJJUCS-UHFFFAOYSA-N 0 1 269.323 2.999 20 30 CFEDMN Cc1cc(CNCc2cc(C3CC3)nn2C)ccc1C#N ZINC000922946838 626430232 /nfs/dbraw/zinc/43/02/32/626430232.db2.gz AJKRYYBICRKEJN-UHFFFAOYSA-N 0 1 280.375 2.767 20 30 CFEDMN C#CCC1(NCc2ncnn2C(C)C)CCCCC1 ZINC000922981588 626438957 /nfs/dbraw/zinc/43/89/57/626438957.db2.gz PWKMMXCNTKHLLR-UHFFFAOYSA-N 0 1 260.385 2.675 20 30 CFEDMN C#CCC1(NCc2cc(COC)on2)CCCCC1 ZINC000922982210 626439307 /nfs/dbraw/zinc/43/93/07/626439307.db2.gz YKRPGKYPYBQWDG-UHFFFAOYSA-N 0 1 262.353 2.637 20 30 CFEDMN N#Cc1ccc(CN[C@H]2c3ccccc3CC[C@H]2O)s1 ZINC000922989803 626440585 /nfs/dbraw/zinc/44/05/85/626440585.db2.gz BDHPAMPYHMDQIK-CVEARBPZSA-N 0 1 284.384 2.758 20 30 CFEDMN C#CCN1CCC(N(C)C(=O)[C@H](C)c2cccc(C)c2)CC1 ZINC001006059252 626468680 /nfs/dbraw/zinc/46/86/80/626468680.db2.gz HYNOGYRIOBQPFK-MRXNPFEDSA-N 0 1 298.430 2.655 20 30 CFEDMN Cc1nc([C@@H](C)OC(=O)c2cc(C)c(C#N)c(C)c2)n[nH]1 ZINC000923434343 626472986 /nfs/dbraw/zinc/47/29/86/626472986.db2.gz NSVNFBIJWWIMHA-SNVBAGLBSA-N 0 1 284.319 2.520 20 30 CFEDMN CC#CCN1CCC(N(C)C(=O)[C@@H]2CC23CCCC3)CC1 ZINC001006249699 626481177 /nfs/dbraw/zinc/48/11/77/626481177.db2.gz UFEKTICOGWTTHN-INIZCTEOSA-N 0 1 288.435 2.513 20 30 CFEDMN CC#CCN1CCC(N(C)C(=O)C2(F)CCCCC2)CC1 ZINC001006252491 626481303 /nfs/dbraw/zinc/48/13/03/626481303.db2.gz RRDPVMAPSZZLKJ-UHFFFAOYSA-N 0 1 294.414 2.605 20 30 CFEDMN CC/C(C)=C\C(=O)OCC(=O)[C@H](C#N)c1nc(C)cs1 ZINC000838042343 626484475 /nfs/dbraw/zinc/48/44/75/626484475.db2.gz WPCWKWODINVXEJ-GWZUUTHWSA-N 0 1 292.360 2.527 20 30 CFEDMN CC/C(C)=C\C(=O)OCC(=O)C(C#N)c1nc(C)cs1 ZINC000838042343 626484476 /nfs/dbraw/zinc/48/44/76/626484476.db2.gz WPCWKWODINVXEJ-GWZUUTHWSA-N 0 1 292.360 2.527 20 30 CFEDMN C[C@H](C(=O)C(C#N)C(=O)Nc1ccccc1)C1CCC1 ZINC000838785886 626506678 /nfs/dbraw/zinc/50/66/78/626506678.db2.gz CABUUMZWMLWQCT-FZMZJTMJSA-N 0 1 270.332 2.770 20 30 CFEDMN CCCCCNC(=O)C(C#N)C(=O)[C@@H](CC)CC(F)F ZINC000838788713 626506833 /nfs/dbraw/zinc/50/68/33/626506833.db2.gz VDJIDJRONQYJFW-QWRGUYRKSA-N 0 1 288.338 2.683 20 30 CFEDMN CCCCCCNC(=O)C(C#N)C(=O)[C@@H](C)C1CCC1 ZINC000838788792 626506887 /nfs/dbraw/zinc/50/68/87/626506887.db2.gz VYRJZNMQLUWLAU-JSGCOSHPSA-N 0 1 278.396 2.828 20 30 CFEDMN C#CCCOc1ccc(CN2CC(C)(COC)C2)cc1 ZINC000839145529 626526066 /nfs/dbraw/zinc/52/60/66/626526066.db2.gz NAMIEZSJBJAPEM-UHFFFAOYSA-N 0 1 273.376 2.557 20 30 CFEDMN CC#CCN1CCC(Oc2ccc(Cl)cn2)CC1 ZINC000839203039 626532188 /nfs/dbraw/zinc/53/21/88/626532188.db2.gz SAVGYGYJDSQCLX-UHFFFAOYSA-N 0 1 264.756 2.602 20 30 CFEDMN C#C[C@H](NCc1cnc2ccc(C)cc2c1)[C@H]1CCCO1 ZINC000839564409 626546793 /nfs/dbraw/zinc/54/67/93/626546793.db2.gz RAEVZXGKWXVGQD-FUHWJXTLSA-N 0 1 280.371 2.814 20 30 CFEDMN C=C(Cl)CN[C@H](C)[C@@H](Cc1ccccc1)C(=O)OC ZINC000839596230 626547475 /nfs/dbraw/zinc/54/74/75/626547475.db2.gz TVSURKWGVXPEMK-TZMCWYRMSA-N 0 1 281.783 2.749 20 30 CFEDMN COc1ccc(C(C)=NNc2ncccc2C)c(O)c1 ZINC000790193086 626549085 /nfs/dbraw/zinc/54/90/85/626549085.db2.gz RUUIEMMKCXKCGK-UHFFFAOYSA-N 0 1 271.320 2.940 20 30 CFEDMN N#CCOc1ccc(Cl)cc1CSc1cn[nH]n1 ZINC000757745418 626561584 /nfs/dbraw/zinc/56/15/84/626561584.db2.gz CIQUQAYBHARNNV-UHFFFAOYSA-N 0 1 280.740 2.653 20 30 CFEDMN FC(F)(F)c1ccc(C#CCSc2c[nH]nn2)cc1 ZINC000757747082 626561799 /nfs/dbraw/zinc/56/17/99/626561799.db2.gz ZQDGVTYXHKRDEU-UHFFFAOYSA-N 0 1 283.278 2.967 20 30 CFEDMN Cc1cc(=O)[nH]c(N=NC=CCc2ccc(F)cc2F)n1 ZINC000758069939 626575631 /nfs/dbraw/zinc/57/56/31/626575631.db2.gz OVPQKQUREAOCPO-DDWFUMEVSA-N 0 1 290.273 2.880 20 30 CFEDMN Cc1oc2ccccc2c1C=NNc1cccnn1 ZINC000758108320 626576872 /nfs/dbraw/zinc/57/68/72/626576872.db2.gz BISCIVFLSUWYOO-UHFFFAOYSA-N 0 1 252.277 2.977 20 30 CFEDMN Cc1cc[nH+]c([N-]N=Cc2nc(Cl)cs2)c1 ZINC000758117085 626577386 /nfs/dbraw/zinc/57/73/86/626577386.db2.gz JCNGDQYUQKSFNC-UHFFFAOYSA-N 0 1 252.730 2.946 20 30 CFEDMN Cc1ccnc(NN=Cc2nc(Cl)cs2)c1 ZINC000758117085 626577388 /nfs/dbraw/zinc/57/73/88/626577388.db2.gz JCNGDQYUQKSFNC-UHFFFAOYSA-N 0 1 252.730 2.946 20 30 CFEDMN COC(=O)c1ccc(NN=Cc2ccc(F)cc2F)nc1 ZINC000758125857 626577774 /nfs/dbraw/zinc/57/77/74/626577774.db2.gz BUMGRVINKCTDSH-UHFFFAOYSA-N 0 1 291.257 2.592 20 30 CFEDMN Cc1cc(C(C#N)C(=O)CCCc2ccccn2)nc(C)n1 ZINC000759202908 626636539 /nfs/dbraw/zinc/63/65/39/626636539.db2.gz BTMABVIVXKFVDZ-OAHLLOKOSA-N 0 1 294.358 2.688 20 30 CFEDMN Cc1cc(C(C#N)C(=O)C[C@H](C)c2ccncc2)nc(C)n1 ZINC000759206834 626637215 /nfs/dbraw/zinc/63/72/15/626637215.db2.gz RGEWEHJKRYIIHQ-XHDPSFHLSA-N 0 1 294.358 2.859 20 30 CFEDMN CCCCCCCCN1CCN(c2nc(N)ns2)CC1 ZINC000759351187 626649457 /nfs/dbraw/zinc/64/94/57/626649457.db2.gz HLWYOXRQJFMTCW-UHFFFAOYSA-N 0 1 297.472 2.603 20 30 CFEDMN COc1ccc(NC(=O)C(C#N)C(=O)CC2(C)CC2)cc1 ZINC000759433760 626658505 /nfs/dbraw/zinc/65/85/05/626658505.db2.gz CEJWRDCADGGHDI-ZDUSSCGKSA-N 0 1 286.331 2.533 20 30 CFEDMN Fc1c(Cl)cccc1C=NNc1ncnc2nc[nH]c21 ZINC000759652466 626679622 /nfs/dbraw/zinc/67/96/22/626679622.db2.gz HQQXHAZQUDNAEP-UHFFFAOYSA-N 0 1 290.689 2.591 20 30 CFEDMN Cc1cccc(NC(=O)C(C#N)C(=O)[C@@H]2CC23CCC3)c1 ZINC000759835743 626694628 /nfs/dbraw/zinc/69/46/28/626694628.db2.gz UUOWXGYTQMHAIN-KGLIPLIRSA-N 0 1 282.343 2.833 20 30 CFEDMN N#CC(C(=O)CCc1ccc2[nH]ccc2c1)c1ccncn1 ZINC000760335933 626735570 /nfs/dbraw/zinc/73/55/70/626735570.db2.gz WJRLMKKCFPJOAU-CQSZACIVSA-N 0 1 290.326 2.767 20 30 CFEDMN N#CC(C(=O)CCc1ccc2[nH]ccc2c1)c1ccncn1 ZINC000760335930 626735734 /nfs/dbraw/zinc/73/57/34/626735734.db2.gz WJRLMKKCFPJOAU-AWEZNQCLSA-N 0 1 290.326 2.767 20 30 CFEDMN N#C[C@H](C(=O)[C@@H]1C[C@@]12CCc1ccccc12)c1ccncn1 ZINC000760340822 626737072 /nfs/dbraw/zinc/73/70/72/626737072.db2.gz OGQSPCWSCDNQIB-DHSIGJKJSA-N 0 1 289.338 2.557 20 30 CFEDMN N#C[C@@H](C(=O)CCn1ccc2ccccc21)c1ccncn1 ZINC000760347099 626737416 /nfs/dbraw/zinc/73/74/16/626737416.db2.gz UAJLCVAKZCAYRA-CQSZACIVSA-N 0 1 290.326 2.698 20 30 CFEDMN N#CC(C(=O)CCCOc1cccc(F)c1)c1ccncn1 ZINC000760345275 626737575 /nfs/dbraw/zinc/73/75/75/626737575.db2.gz LCJXKPAUVZVMQV-AWEZNQCLSA-N 0 1 299.305 2.651 20 30 CFEDMN N#CC(C(=O)CCCOCc1ccccc1)c1ccncn1 ZINC000760343669 626737718 /nfs/dbraw/zinc/73/77/18/626737718.db2.gz DAGMWOPRLXFWSQ-OAHLLOKOSA-N 0 1 295.342 2.650 20 30 CFEDMN CC[C@@H](Oc1cccc(C)c1)C(=O)C(C#N)c1ccncn1 ZINC000760347970 626738246 /nfs/dbraw/zinc/73/82/46/626738246.db2.gz YRIIPZMPYPLLDD-GOEBONIOSA-N 0 1 295.342 2.819 20 30 CFEDMN N#C[C@H](C(=O)[C@H]1C[C@H]1c1c(F)cccc1F)c1ccncn1 ZINC000760355743 626739486 /nfs/dbraw/zinc/73/94/86/626739486.db2.gz ZVZSRPFNIBZVHD-VWYCJHECSA-N 0 1 299.280 2.735 20 30 CFEDMN N#CC(C(=O)C[C@@H]1CCOc2ccccc21)c1ccncn1 ZINC000760360242 626740082 /nfs/dbraw/zinc/74/00/82/626740082.db2.gz XDMFKOWEUYSIPV-JSGCOSHPSA-N 0 1 293.326 2.609 20 30 CFEDMN C[C@H]1CC(N=Nc2cccc(C(F)(F)F)n2)CN1C ZINC000761812701 626860368 /nfs/dbraw/zinc/86/03/68/626860368.db2.gz MZHCPNDYCRTDNN-QMMMGPOBSA-N 0 1 272.274 2.592 20 30 CFEDMN C[C@@H]1CC(N=Nc2cnn(C)c2)CN(Cc2ccccc2)C1 ZINC000761868133 626867014 /nfs/dbraw/zinc/86/70/14/626867014.db2.gz WOOLVYLBEQDPQU-CQSZACIVSA-N 0 1 297.406 2.730 20 30 CFEDMN COc1ccc(C)cc1C(C)=NNc1cnn(C)c1 ZINC000761881510 626869438 /nfs/dbraw/zinc/86/94/38/626869438.db2.gz QJGABCVJPOUCJU-UHFFFAOYSA-N 0 1 258.325 2.573 20 30 CFEDMN N#CC(C(=O)Cc1ccco1)c1nc2ccccc2[nH]1 ZINC000763041286 626958574 /nfs/dbraw/zinc/95/85/74/626958574.db2.gz KLVJAHUUCABZTJ-NSHDSACASA-N 0 1 265.272 2.575 20 30 CFEDMN CCCCCC[N@@H+](C)CC(=O)Nc1cc(CC#N)ccn1 ZINC000763910241 627021480 /nfs/dbraw/zinc/02/14/80/627021480.db2.gz VQUSGSNWAKCVNP-UHFFFAOYSA-N 0 1 288.395 2.598 20 30 CFEDMN CCCCCCN(C)CC(=O)Nc1cc(CC#N)ccn1 ZINC000763910241 627021481 /nfs/dbraw/zinc/02/14/81/627021481.db2.gz VQUSGSNWAKCVNP-UHFFFAOYSA-N 0 1 288.395 2.598 20 30 CFEDMN CC#CCCN1CCN(C(=O)OC(C)(C)C)[C@@H](C)[C@@H]1C ZINC000765003523 627112108 /nfs/dbraw/zinc/11/21/08/627112108.db2.gz PCEYHRMHWZZQGI-KBPBESRZSA-N 0 1 280.412 2.730 20 30 CFEDMN CCCCCCCCNC(=O)CN(C)[C@@H]1CCSC1 ZINC000765203486 627122826 /nfs/dbraw/zinc/12/28/26/627122826.db2.gz KUUUBDJENRLRBZ-CQSZACIVSA-N 0 1 286.485 2.900 20 30 CFEDMN CC(C)c1cc(C(=O)N=C2C[C@H](C)ON2)nn1C(C)(C)C ZINC000765378900 627133633 /nfs/dbraw/zinc/13/36/33/627133633.db2.gz DZXMYBFZZNMTOW-JTQLQIEISA-N 0 1 292.383 2.614 20 30 CFEDMN C[C@H]1CC(=NC(=O)c2ccc(Cl)c3cccnc23)NO1 ZINC000765378171 627133898 /nfs/dbraw/zinc/13/38/98/627133898.db2.gz ADAGTUTWPDZAHI-QMMMGPOBSA-N 0 1 289.722 2.740 20 30 CFEDMN Oc1c(Cl)cccc1C=NNCCOCC(F)(F)F ZINC000765592852 627148668 /nfs/dbraw/zinc/14/86/68/627148668.db2.gz FOBRRNSYPFZNLV-UHFFFAOYSA-N 0 1 296.676 2.548 20 30 CFEDMN Clc1ccc(CNN=C2CCN3CCC[C@H]23)cc1 ZINC000765584630 627148749 /nfs/dbraw/zinc/14/87/49/627148749.db2.gz SQGOSOWYHUOJFL-CQSZACIVSA-N 0 1 263.772 2.654 20 30 CFEDMN Cc1nn2c(C=N[N-]c3cc(C)cc[nH+]3)c(C)nc2s1 ZINC000765581860 627148761 /nfs/dbraw/zinc/14/87/61/627148761.db2.gz TUBQGTQYXOQTEG-UHFFFAOYSA-N 0 1 286.364 2.557 20 30 CFEDMN N#C[C@@H]1CCC[C@H](NCc2nnc(-c3ccccc3)[nH]2)C1 ZINC000765942115 627165725 /nfs/dbraw/zinc/16/57/25/627165725.db2.gz YDHLZJDULZYSFK-OCCSQVGLSA-N 0 1 281.363 2.644 20 30 CFEDMN COC(=O)c1coc(C(C)=NNc2ccc(C)cn2)c1 ZINC000766448445 627203951 /nfs/dbraw/zinc/20/39/51/627203951.db2.gz VDSNLTKDAYPQPQ-UHFFFAOYSA-N 0 1 273.292 2.606 20 30 CFEDMN Cc1cc(CN=Nc2ccncc2Cl)ccc1C#N ZINC000766455312 627204241 /nfs/dbraw/zinc/20/42/41/627204241.db2.gz PJNPGLSFXNXCIP-UHFFFAOYSA-N 0 1 270.723 2.783 20 30 CFEDMN C#CCCCN(C)CC(=O)Nc1ccccc1Cl ZINC000766895529 627225000 /nfs/dbraw/zinc/22/50/00/627225000.db2.gz PCEBMKFRIXENQY-UHFFFAOYSA-N 0 1 264.756 2.624 20 30 CFEDMN CON=C(C)c1ccc([O-])c(C[NH+]2CCCCC2)c1 ZINC000767490529 627255281 /nfs/dbraw/zinc/25/52/81/627255281.db2.gz LYBRVHQEHFGVDC-UHFFFAOYSA-N 0 1 262.353 2.749 20 30 CFEDMN COc1cccc(O)c1CN(C)Cc1cccc(C#N)c1 ZINC000768261325 627328663 /nfs/dbraw/zinc/32/86/63/627328663.db2.gz BLNLNZLDLWLTOW-UHFFFAOYSA-N 0 1 282.343 2.904 20 30 CFEDMN Cc1nc(C=NNc2cc(C#N)cc(Cl)n2)cs1 ZINC000768380611 627338775 /nfs/dbraw/zinc/33/87/75/627338775.db2.gz RVNWEDQSVDCVDA-UHFFFAOYSA-N 0 1 277.740 2.818 20 30 CFEDMN CCn1cc(CN(C)Cc2ccc(O[C@H](C)C#N)cc2)cn1 ZINC000769426062 627436659 /nfs/dbraw/zinc/43/66/59/627436659.db2.gz BLOTVOBFNYFNJZ-CQSZACIVSA-N 0 1 298.390 2.826 20 30 CFEDMN N#Cc1ccc(F)c(CNCc2cccc3nccn32)c1 ZINC000769688083 627466026 /nfs/dbraw/zinc/46/60/26/627466026.db2.gz DTPIYOGODPLHKY-UHFFFAOYSA-N 0 1 280.306 2.635 20 30 CFEDMN CN(C)c1ccc(C=NNCc2ccc(C#N)cc2)cc1 ZINC000769823845 627478907 /nfs/dbraw/zinc/47/89/07/627478907.db2.gz ZMFBSRVDTXUTSR-UHFFFAOYSA-N 0 1 278.359 2.748 20 30 CFEDMN C#CCOc1ccc(CN[C@H](CO)c2ccsc2)cc1 ZINC000769931581 627488938 /nfs/dbraw/zinc/48/89/38/627488938.db2.gz AKPMRXIJDDSYFJ-MRXNPFEDSA-N 0 1 287.384 2.583 20 30 CFEDMN C#C[C@@H](C)N(C)Cc1cc(=O)oc2c(C)c(C)ccc12 ZINC000769962550 627492707 /nfs/dbraw/zinc/49/27/07/627492707.db2.gz FLPXDOFVALJYHD-GFCCVEGCSA-N 0 1 269.344 2.863 20 30 CFEDMN C#C[C@@H](C)N(C)Cc1cc(=O)oc2cc(C)ccc12 ZINC000769978450 627493890 /nfs/dbraw/zinc/49/38/90/627493890.db2.gz YGSZBJYAUCACQE-GFCCVEGCSA-N 0 1 255.317 2.555 20 30 CFEDMN Cc1nc(C(=O)Nc2cc(C#N)ccc2O)sc1C ZINC000770589873 627532708 /nfs/dbraw/zinc/53/27/08/627532708.db2.gz UGJGNOFXYCFIMY-UHFFFAOYSA-N 0 1 273.317 2.590 20 30 CFEDMN Cc1nc(-c2ccccc2)[nH]c1C(=O)OC[C@H](C)C#N ZINC000770934388 627560693 /nfs/dbraw/zinc/56/06/93/627560693.db2.gz WIKKQHHTVYOXQJ-SNVBAGLBSA-N 0 1 269.304 2.702 20 30 CFEDMN C[C@H]1CCCN1CCNc1snc(Cl)c1C#N ZINC000771228388 627586516 /nfs/dbraw/zinc/58/65/16/627586516.db2.gz GQCUYHYVHQFBRH-QMMMGPOBSA-N 0 1 270.789 2.564 20 30 CFEDMN Cc1cc(NN=Cc2cn(C)nc2-c2ccccc2)ncn1 ZINC000771559092 627614349 /nfs/dbraw/zinc/61/43/49/627614349.db2.gz CNCZGYLGMZBYKS-UHFFFAOYSA-N 0 1 292.346 2.632 20 30 CFEDMN C=C(C)CN1C[C@@H](C)N(C(=O)OC(C)(C)C)C[C@@H]1C ZINC000772324888 627702026 /nfs/dbraw/zinc/70/20/26/627702026.db2.gz SNUYUPCGFCIEGT-QWHCGFSZSA-N 0 1 268.401 2.892 20 30 CFEDMN C=CCN(Cc1cc(=O)oc2cc(OC)ccc12)C1CC1 ZINC000772384336 627706650 /nfs/dbraw/zinc/70/66/50/627706650.db2.gz XZEKOXRJQMJCRW-UHFFFAOYSA-N 0 1 285.343 2.952 20 30 CFEDMN C#CCOCCOC(=O)c1[nH]c(-c2cccc(C)c2)nc1C ZINC000772674581 627733897 /nfs/dbraw/zinc/73/38/97/627733897.db2.gz SUCKCOBDIMUWQS-UHFFFAOYSA-N 0 1 298.342 2.500 20 30 CFEDMN N#CCOc1ccc(CNCc2ccc(C#N)cc2F)cc1 ZINC000772927141 627759961 /nfs/dbraw/zinc/75/99/61/627759961.db2.gz KQWPVBAEEARLMP-UHFFFAOYSA-N 0 1 295.317 2.890 20 30 CFEDMN CC(C)c1nccnc1N=NC1C[C@@H](C)N(C2CC2)C1 ZINC000773085834 627781162 /nfs/dbraw/zinc/78/11/62/627781162.db2.gz MHKYCPVUNOIKHP-LLVKDONJSA-N 0 1 273.384 2.625 20 30 CFEDMN COc1ccc(CN[C@H](C)c2cncs2)cc1C#N ZINC000773084491 627781452 /nfs/dbraw/zinc/78/14/52/627781452.db2.gz SODXGUIMJAPOFH-SNVBAGLBSA-N 0 1 273.361 2.874 20 30 CFEDMN CC1(C)CCC[C@H]1C(=O)[C@@H](C#N)C(=O)NC1CCCC1 ZINC000773983402 627875924 /nfs/dbraw/zinc/87/59/24/627875924.db2.gz KAWFLTHUOSVRNS-OLZOCXBDSA-N 0 1 276.380 2.580 20 30 CFEDMN C#CCN1CCC[C@@H]1COC(=O)C1=CCCCCC1 ZINC000774064580 627883277 /nfs/dbraw/zinc/88/32/77/627883277.db2.gz WXUQWXFHKFOSQD-OAHLLOKOSA-N 0 1 261.365 2.518 20 30 CFEDMN CO/C(=C\c1ccccc1)C(=O)Nc1cc(C#N)ccc1O ZINC000774083597 627885932 /nfs/dbraw/zinc/88/59/32/627885932.db2.gz ZJOCMWUZXLCRRM-YBEGLDIGSA-N 0 1 294.310 2.890 20 30 CFEDMN CCC(CC)CNN=Cc1cnc(N(C)C)s1 ZINC000774472778 627930463 /nfs/dbraw/zinc/93/04/63/627930463.db2.gz QPBAKTIJYGTYNJ-UHFFFAOYSA-N 0 1 254.403 2.569 20 30 CFEDMN CCC(CC)CNN=Cc1cc(OC)c(O)c([N+](=O)[O-])c1 ZINC000774461810 627930059 /nfs/dbraw/zinc/93/00/59/627930059.db2.gz KMXLPFHGNSXBCV-UHFFFAOYSA-N 0 1 295.339 2.669 20 30 CFEDMN CCCCCCCCC[N@@H+](C)Cc1n[nH]c(=O)[n-]1 ZINC000774566420 627937912 /nfs/dbraw/zinc/93/79/12/627937912.db2.gz OFIGEHANJJLNJJ-UHFFFAOYSA-N 0 1 254.378 2.693 20 30 CFEDMN COC(=O)[C@@H](C)n1cccc1CN=Nc1ccccc1F ZINC000774589064 627939513 /nfs/dbraw/zinc/93/95/13/627939513.db2.gz HJJBNGBQAPMOBV-LLVKDONJSA-N 0 1 289.310 2.807 20 30 CFEDMN N#Cc1ccc(CNCc2n[nH]c(-c3ccccc3)n2)s1 ZINC000774816365 627966558 /nfs/dbraw/zinc/96/65/58/627966558.db2.gz XROKXHKVGFOLKP-UHFFFAOYSA-N 0 1 295.371 2.695 20 30 CFEDMN N#Cc1ccc(CNCc2nc(-c3ccccc3)n[nH]2)s1 ZINC000774816365 627966561 /nfs/dbraw/zinc/96/65/61/627966561.db2.gz XROKXHKVGFOLKP-UHFFFAOYSA-N 0 1 295.371 2.695 20 30 CFEDMN C#C[C@H](C)N(C)Cc1ccc(OC)c(OCCC)c1 ZINC000775178453 627998352 /nfs/dbraw/zinc/99/83/52/627998352.db2.gz KBQSSVRDGKEJFV-ZDUSSCGKSA-N 0 1 261.365 2.938 20 30 CFEDMN C#C[C@H](C)N(C)Cc1c[nH]nc1-c1cccc(OC)c1 ZINC000775184465 627998968 /nfs/dbraw/zinc/99/89/68/627998968.db2.gz VTLVRCGALCVNPD-LBPRGKRZSA-N 0 1 269.348 2.539 20 30 CFEDMN C#C[C@H](NCc1cc2cc(OC)ccc2o1)[C@@H]1CCCO1 ZINC000775342008 628012734 /nfs/dbraw/zinc/01/27/34/628012734.db2.gz PBJHESVIUFQXFY-RDJZCZTQSA-N 0 1 285.343 2.712 20 30 CFEDMN C#C[C@@H](NCc1ccc(OC)c(Cl)c1)[C@@H]1CCCO1 ZINC000775341673 628012831 /nfs/dbraw/zinc/01/28/31/628012831.db2.gz MXAVCYRCQVXPRU-HIFRSBDPSA-N 0 1 279.767 2.619 20 30 CFEDMN C#C[C@H](NCc1cccc2cccnc21)[C@H]1CCCO1 ZINC000775345097 628013286 /nfs/dbraw/zinc/01/32/86/628013286.db2.gz MKEIJVCTLBATNQ-JKSUJKDBSA-N 0 1 266.344 2.505 20 30 CFEDMN C#C[C@H](NCc1cccc(OCCCC#N)c1)[C@@H]1CCCO1 ZINC000775343704 628013509 /nfs/dbraw/zinc/01/35/09/628013509.db2.gz XJENYSICUQHIPS-ROUUACIJSA-N 0 1 298.386 2.640 20 30 CFEDMN C#C[C@H](N[C@H](C)c1ccc(-n2cccn2)cc1)[C@@H]1CCCO1 ZINC000775571159 628039541 /nfs/dbraw/zinc/03/95/41/628039541.db2.gz BDLPYDNLSQEYFT-JLSDUUJJSA-N 0 1 295.386 2.704 20 30 CFEDMN C#C[C@H](N[C@H](CC)c1cccc([N+](=O)[O-])c1)[C@H]1CCCO1 ZINC000775572031 628040892 /nfs/dbraw/zinc/04/08/92/628040892.db2.gz NYXHSSBLHBMXIJ-OWCLPIDISA-N 0 1 288.347 2.816 20 30 CFEDMN C#C[C@H](N[C@@H]1CCc2c1cc(F)cc2F)[C@@H]1CCCO1 ZINC000775573540 628041799 /nfs/dbraw/zinc/04/17/99/628041799.db2.gz HQFUUVDOBUIMFF-XHSDSOJGSA-N 0 1 277.314 2.723 20 30 CFEDMN C#C[C@@H](NCc1cncc2ccccc21)[C@@H]1CCCO1 ZINC000775795236 628069845 /nfs/dbraw/zinc/06/98/45/628069845.db2.gz VLINJVZJIOEUGC-SJORKVTESA-N 0 1 266.344 2.505 20 30 CFEDMN C[C@@H]1CC[C@H](C(=O)C(C#N)C(=O)Nc2ccccc2)C1 ZINC000776515684 628155567 /nfs/dbraw/zinc/15/55/67/628155567.db2.gz IZBYRSVMZRONBT-DYEKYZERSA-N 0 1 270.332 2.770 20 30 CFEDMN Cc1cccc2nc([C@H](C#N)C(=O)[C@@H]3CCO[C@H](C)C3)[nH]c21 ZINC000776523334 628156361 /nfs/dbraw/zinc/15/63/61/628156361.db2.gz SGZIOYKBLJZBIO-JHJVBQTASA-N 0 1 297.358 2.863 20 30 CFEDMN C#CCCN1CCN([C@@H]2CCc3c2cccc3Cl)CC1 ZINC000776593750 628163065 /nfs/dbraw/zinc/16/30/65/628163065.db2.gz YVOMHDPVUNUTBC-QGZVFWFLSA-N 0 1 288.822 2.968 20 30 CFEDMN C=C(C)CN1CCN(C(=O)OC(C)(C)C)[C@@H](C)[C@H]1C ZINC000776606997 628165261 /nfs/dbraw/zinc/16/52/61/628165261.db2.gz QJGCDIKEVKYNQJ-OLZOCXBDSA-N 0 1 268.401 2.892 20 30 CFEDMN C#C[C@@H](NCc1cc(F)cc(Cl)c1)[C@H]1CCCO1 ZINC000776800530 628178608 /nfs/dbraw/zinc/17/86/08/628178608.db2.gz OKXYOHBTTMIUTR-ZIAGYGMSSA-N 0 1 267.731 2.750 20 30 CFEDMN Fc1ccc(CN=Nc2ccc(Br)cn2)cn1 ZINC000777441233 628226060 /nfs/dbraw/zinc/22/60/60/628226060.db2.gz TYWYSBXWZGGBCQ-UHFFFAOYSA-N 0 1 295.115 2.824 20 30 CFEDMN Fc1ccc(C=NNc2cnc3ccccc3n2)cn1 ZINC000777440829 628226181 /nfs/dbraw/zinc/22/61/81/628226181.db2.gz NCKORURNXRCRCI-UHFFFAOYSA-N 0 1 267.267 2.610 20 30 CFEDMN C#CCOc1cccc(Cl)c1CNCCSC ZINC000778152043 628280844 /nfs/dbraw/zinc/28/08/44/628280844.db2.gz PHMKTYPKCRUOLF-UHFFFAOYSA-N 0 1 269.797 2.805 20 30 CFEDMN C#CCOc1cccc(Cl)c1CNCc1cc(C)[nH]n1 ZINC000778169449 628282843 /nfs/dbraw/zinc/28/28/43/628282843.db2.gz RIESSIKYJNTLQV-UHFFFAOYSA-N 0 1 289.766 2.673 20 30 CFEDMN Nc1nc(Cl)cc(NN=Cc2cccc3cccnc23)n1 ZINC000778545559 628314409 /nfs/dbraw/zinc/31/44/09/628314409.db2.gz WUYHGOWSGOGXGT-UHFFFAOYSA-N 0 1 298.737 2.706 20 30 CFEDMN CC[C@@H](C(=O)OCC#Cc1ccccc1)N(CC)CC ZINC000778610500 628320121 /nfs/dbraw/zinc/32/01/21/628320121.db2.gz XLMYFDRUZHLJHV-INIZCTEOSA-N 0 1 273.376 2.702 20 30 CFEDMN C#C[C@H](C)NC(=O)c1cn[nH]c1-c1ccc(Cl)s1 ZINC000779099734 628352371 /nfs/dbraw/zinc/35/23/71/628352371.db2.gz AFAALUKCUHSNMZ-ZETCQYMHSA-N 0 1 279.752 2.543 20 30 CFEDMN C#C[C@@H](C)NC(=O)c1cn[nH]c1-c1ccc(Cl)s1 ZINC000779099732 628352635 /nfs/dbraw/zinc/35/26/35/628352635.db2.gz AFAALUKCUHSNMZ-SSDOTTSWSA-N 0 1 279.752 2.543 20 30 CFEDMN C#CCOc1cccc(Cl)c1CN(CCO)CC1CC1 ZINC000779154195 628356258 /nfs/dbraw/zinc/35/62/58/628356258.db2.gz IFHCATHFVBDDOH-UHFFFAOYSA-N 0 1 293.794 2.556 20 30 CFEDMN C#C[C@@](C)(CC)N[C@@H](C)C(=O)Nc1c(F)cccc1F ZINC000852099051 634652737 /nfs/dbraw/zinc/65/27/37/634652737.db2.gz CMPKEMHGNFCNLQ-BONVTDFDSA-N 0 1 280.318 2.683 20 30 CFEDMN C#C[C@](C)(CC)N[C@@H](C)C(=O)Nc1ccccc1CC ZINC000852099366 634653141 /nfs/dbraw/zinc/65/31/41/634653141.db2.gz KRUAUIUWJICNJZ-SUMWQHHRSA-N 0 1 272.392 2.968 20 30 CFEDMN CC(=NNC1=NC[C@H](C)N1)c1ccc(SC(C)C)cc1 ZINC000779794234 628407101 /nfs/dbraw/zinc/40/71/01/628407101.db2.gz FJUDOHOVLGNDPI-NSHDSACASA-N 0 1 290.436 2.848 20 30 CFEDMN CCC(=NNc1cc[nH+]cc1)c1ccc(OC)cc1 ZINC000779808748 628408549 /nfs/dbraw/zinc/40/85/49/628408549.db2.gz GZIQEAYMXVDPKE-UHFFFAOYSA-N 0 1 255.321 2.738 20 30 CFEDMN CCC(=NNc1cc[nH+]cc1)c1cc(C(=O)[O-])ccc1F ZINC000779810088 628409438 /nfs/dbraw/zinc/40/94/38/628409438.db2.gz UNPTUBLBEWWZPD-UHFFFAOYSA-N 0 1 287.294 2.567 20 30 CFEDMN COc1cccc(N=NC2CCN(Cc3ccccc3)C2)n1 ZINC000779816103 628410217 /nfs/dbraw/zinc/41/02/17/628410217.db2.gz AVFFYKYXRZDETH-UHFFFAOYSA-N 0 1 296.374 2.764 20 30 CFEDMN COc1cccc(NN=C(C)c2scnc2C)n1 ZINC000779820012 628411283 /nfs/dbraw/zinc/41/12/83/628411283.db2.gz ANDABZZOFFZYHA-UHFFFAOYSA-N 0 1 262.338 2.691 20 30 CFEDMN C#C[C@](C)(CC)NCC(=O)Nc1cccc(C)c1C ZINC000852100128 634654129 /nfs/dbraw/zinc/65/41/29/634654129.db2.gz UECGGQIAVCJHRM-MRXNPFEDSA-N 0 1 258.365 2.633 20 30 CFEDMN CCOc1cc(CN=Nc2ccc(OC)cn2)ccc1O ZINC000780267498 628448364 /nfs/dbraw/zinc/44/83/64/628448364.db2.gz MDJSMEDQRFRCLJ-UHFFFAOYSA-N 0 1 287.319 2.641 20 30 CFEDMN COc1ccc(NN=C(C)c2ccccc2OC)nc1 ZINC000780268057 628448409 /nfs/dbraw/zinc/44/84/09/628448409.db2.gz CRPVFKFZHUXNAR-UHFFFAOYSA-N 0 1 271.320 2.935 20 30 CFEDMN COc1ccc(N=NCc2cccc3c2OCCCO3)nc1 ZINC000780269074 628448703 /nfs/dbraw/zinc/44/87/03/628448703.db2.gz PJBAATFMIAZITJ-UHFFFAOYSA-N 0 1 299.330 2.698 20 30 CFEDMN CCCn1cccc1C=NNc1ccc(OC)cn1 ZINC000780274394 628449200 /nfs/dbraw/zinc/44/92/00/628449200.db2.gz ABIKTNFBESWETP-UHFFFAOYSA-N 0 1 258.325 2.748 20 30 CFEDMN C#C[C@](C)(CC)N[C@@H](C)C(=O)Nc1ccc(OCC)cc1 ZINC000852101521 634656362 /nfs/dbraw/zinc/65/63/62/634656362.db2.gz RNTTWQIGPVFGIH-SUMWQHHRSA-N 0 1 288.391 2.804 20 30 CFEDMN Cc1cc([C@@H](C#N)C(=O)c2cccc(Cl)n2)nc(C)n1 ZINC000780304506 628453876 /nfs/dbraw/zinc/45/38/76/628453876.db2.gz UKNRVYKIBSPBRW-SNVBAGLBSA-N 0 1 286.722 2.632 20 30 CFEDMN Cc1cc(C(C#N)C(=O)c2cccc(Cl)n2)nc(C)n1 ZINC000780304506 628453880 /nfs/dbraw/zinc/45/38/80/628453880.db2.gz UKNRVYKIBSPBRW-SNVBAGLBSA-N 0 1 286.722 2.632 20 30 CFEDMN C#C[C@](C)(CC)N[C@@H]1CCCN(c2cccc(F)c2)C1=O ZINC000852102963 634657638 /nfs/dbraw/zinc/65/76/38/634657638.db2.gz USYSTGPRHOLNJV-NVXWUHKLSA-N 0 1 288.366 2.713 20 30 CFEDMN C#C[C@@](C)(CC)N[C@H]1CCN(c2cccc(Cl)c2)C1=O ZINC000852103186 634657845 /nfs/dbraw/zinc/65/78/45/634657845.db2.gz ZTNAZKPLJDLATL-HOCLYGCPSA-N 0 1 290.794 2.837 20 30 CFEDMN N#Cc1ccc(CNCc2cncc3ccccc32)nc1 ZINC000780556710 628476174 /nfs/dbraw/zinc/47/61/74/628476174.db2.gz PVOULQPOGVBMQZ-UHFFFAOYSA-N 0 1 274.327 2.791 20 30 CFEDMN CC1(C)Cc2cc(CNCc3ccc(C#N)cn3)ccc2O1 ZINC000780557011 628476749 /nfs/dbraw/zinc/47/67/49/628476749.db2.gz RSERKZLMPMMGQD-UHFFFAOYSA-N 0 1 293.370 2.957 20 30 CFEDMN C#CCCCCCC(=O)N[C@H](C)c1n[nH]c(C(C)C)n1 ZINC000780684485 628487439 /nfs/dbraw/zinc/48/74/39/628487439.db2.gz OUEHIISHEJUGBH-GFCCVEGCSA-N 0 1 276.384 2.689 20 30 CFEDMN CC(C)c1ccc([C@H](C)NN=Cc2cnc(N)nc2)cc1 ZINC000781589301 628562587 /nfs/dbraw/zinc/56/25/87/628562587.db2.gz HIRJQDONBKIOKB-LBPRGKRZSA-N 0 1 283.379 2.867 20 30 CFEDMN N#Cc1cc(F)c(CN=Nc2cncc(Cl)n2)c(F)c1 ZINC000782198835 628613980 /nfs/dbraw/zinc/61/39/80/628613980.db2.gz LIYHRXFJXZVICL-UHFFFAOYSA-N 0 1 293.664 2.726 20 30 CFEDMN COc1cc(C(C)N=Nc2ncccc2C)ccn1 ZINC000782285032 628623792 /nfs/dbraw/zinc/62/37/92/628623792.db2.gz NBFKAXDNVWHJNQ-UHFFFAOYSA-N 0 1 256.309 2.630 20 30 CFEDMN C#C[C@H](NCc1ccc2nc(C)ccc2c1)[C@@H]1CCCO1 ZINC000782530896 628643157 /nfs/dbraw/zinc/64/31/57/628643157.db2.gz ORZCFOXDXRLOAJ-WMZOPIPTSA-N 0 1 280.371 2.814 20 30 CFEDMN C[C@@H](NCc1ccc(C#N)cn1)c1cc(F)ccc1O ZINC000783299521 628699077 /nfs/dbraw/zinc/69/90/77/628699077.db2.gz DHBHFICISBRVDA-SNVBAGLBSA-N 0 1 271.295 2.649 20 30 CFEDMN CCC(=NNC1=N[C@H]2CCCC[C@@H]2N1)c1cccc(F)c1 ZINC000783522339 628716325 /nfs/dbraw/zinc/71/63/25/628716325.db2.gz QJSXUTULIBSYIY-GJZGRUSLSA-N 0 1 288.370 2.800 20 30 CFEDMN Cc1cc(=O)nc(NN=C[C@H](C)Cc2ccccc2)[nH]1 ZINC000783769964 628744521 /nfs/dbraw/zinc/74/45/21/628744521.db2.gz BZDKIUGZVJMPQV-LLVKDONJSA-N 0 1 270.336 2.767 20 30 CFEDMN CCc1cc(CNc2ncc(Cl)c(C)c2C#N)n[nH]1 ZINC000784161490 628786539 /nfs/dbraw/zinc/78/65/39/628786539.db2.gz UEWLXVOQWADRKN-UHFFFAOYSA-N 0 1 275.743 2.813 20 30 CFEDMN CC(C)(C#N)CCCOC(=O)Cc1n[nH]c2c1CCCC2 ZINC000784811161 628843860 /nfs/dbraw/zinc/84/38/60/628843860.db2.gz GOUUOSQHERGSMM-UHFFFAOYSA-N 0 1 289.379 2.704 20 30 CFEDMN Cc1cc(C=NNc2nnc(-c3ccccc3)n2C)sn1 ZINC000785454355 628884019 /nfs/dbraw/zinc/88/40/19/628884019.db2.gz ZLSGTRRYSIBODW-UHFFFAOYSA-N 0 1 298.375 2.693 20 30 CFEDMN C[C@@H]1CC[C@H](C)N1CC(=O)OCc1ccc(F)c(C#N)c1 ZINC000785736258 628909310 /nfs/dbraw/zinc/90/93/10/628909310.db2.gz VPTKNXVCEQIKRW-TXEJJXNPSA-N 0 1 290.338 2.613 20 30 CFEDMN COc1ccc2c(c1)C(N=Nc1cccnn1)CCS2 ZINC000786039462 628932150 /nfs/dbraw/zinc/93/21/50/628932150.db2.gz HJOMVDLQMNRPFB-UHFFFAOYSA-N 0 1 286.360 2.797 20 30 CFEDMN C=CCCN(C)CN1CC[C@](C)(c2ccccc2)C1=O ZINC000786102934 628936964 /nfs/dbraw/zinc/93/69/64/628936964.db2.gz YHRUWSNMLKJASR-QGZVFWFLSA-N 0 1 272.392 2.642 20 30 CFEDMN C=CCCN(C)CN1C[C@H](c2cccc(F)c2)CC1=O ZINC000786101743 628937143 /nfs/dbraw/zinc/93/71/43/628937143.db2.gz PECHDKVXICEDLH-CQSZACIVSA-N 0 1 276.355 2.607 20 30 CFEDMN Cc1cccc(CNC(=O)C(C#N)C(=O)[C@H](C)C(C)C)c1 ZINC000786542702 628967207 /nfs/dbraw/zinc/96/72/07/628967207.db2.gz VGTFHXIYAAOWTF-HIFRSBDPSA-N 0 1 286.375 2.612 20 30 CFEDMN Cc1cccc(CNC(=O)C(C#N)C(=O)[C@H]2CC23CCC3)c1 ZINC000786543059 628967737 /nfs/dbraw/zinc/96/77/37/628967737.db2.gz RFZZMJFHJPKEDD-HUUCEWRRSA-N 0 1 296.370 2.510 20 30 CFEDMN Cc1cccc(CNC(=O)C(C#N)C(=O)CC(C)(C)C)c1 ZINC000786544990 628967918 /nfs/dbraw/zinc/96/79/18/628967918.db2.gz CQLVQKMGNGZGBD-CQSZACIVSA-N 0 1 286.375 2.756 20 30 CFEDMN C=C[C@@H]1CCCCN1C(=O)c1n[nH]c(C)c1Br ZINC000787681671 629025555 /nfs/dbraw/zinc/02/55/55/629025555.db2.gz QKQSBAQDZSSMJE-SECBINFHSA-N 0 1 298.184 2.661 20 30 CFEDMN C#CCN(Cc1ccc(F)cc1)C[C@@H](O)C(C)(C)C ZINC000787710553 629028132 /nfs/dbraw/zinc/02/81/32/629028132.db2.gz LVBLGIHOSHHIRR-OAHLLOKOSA-N 0 1 263.356 2.668 20 30 CFEDMN CC(C)NC(=O)C(C#N)C(=O)CCCCC(C)(C)C ZINC000805855157 629038760 /nfs/dbraw/zinc/03/87/60/629038760.db2.gz FEDOJPWPMPYUJF-LBPRGKRZSA-N 0 1 266.385 2.826 20 30 CFEDMN CCCCCCCCC(=O)N1CCC2(CN(C)C2)C1 ZINC000788202906 629050299 /nfs/dbraw/zinc/05/02/99/629050299.db2.gz KEDVIXSHMUILAZ-UHFFFAOYSA-N 0 1 266.429 2.901 20 30 CFEDMN Cc1cc[nH+]c([N-]N=C2CCCc3cc(C#N)cnc32)c1 ZINC000788433239 629066178 /nfs/dbraw/zinc/06/61/78/629066178.db2.gz LBNLXJJMBLMFDQ-UHFFFAOYSA-N 0 1 277.331 2.809 20 30 CFEDMN C#CCC1(C(=O)N2C[C@@H](C)N(CC)C[C@H]2C)CCCCC1 ZINC000788453798 629069653 /nfs/dbraw/zinc/06/96/53/629069653.db2.gz FFNRVDBRIWUGNI-HZPDHXFCSA-N 0 1 290.451 2.901 20 30 CFEDMN CC(=NNc1ccccc1[N+](=O)[O-])c1coc(C)n1 ZINC000788929640 629109502 /nfs/dbraw/zinc/10/95/02/629109502.db2.gz XMKOSWQMTFAKKG-UHFFFAOYSA-N 0 1 260.253 2.727 20 30 CFEDMN CC(=NNc1cc(F)c(F)cc1F)c1cc(C)nn1C ZINC000789020931 629117809 /nfs/dbraw/zinc/11/78/09/629117809.db2.gz PWSFIPRXZFOGBJ-UHFFFAOYSA-N 0 1 282.269 2.982 20 30 CFEDMN Cc1ccc2nc(CN=Nc3ccnc(F)c3)cn2c1 ZINC000789036605 629119517 /nfs/dbraw/zinc/11/95/17/629119517.db2.gz GVPBYWXBDXYKFL-UHFFFAOYSA-N 0 1 269.283 2.623 20 30 CFEDMN Oc1c(F)cc(Cl)cc1C=NNCCc1ccccn1 ZINC000789127115 629128773 /nfs/dbraw/zinc/12/87/73/629128773.db2.gz KCHRRHRBTCDFMF-UHFFFAOYSA-N 0 1 293.729 2.746 20 30 CFEDMN C=C(CC)CN(C)[C@@H]1CCN(Cc2ccccc2)C1=O ZINC000789527533 629163797 /nfs/dbraw/zinc/16/37/97/629163797.db2.gz CBPWXTGMZYQQSL-MRXNPFEDSA-N 0 1 272.392 2.686 20 30 CFEDMN CC(C)(C)[C@H](C#N)OC(=O)c1ccc(-c2nnc[nH]2)cc1 ZINC000789804103 629189222 /nfs/dbraw/zinc/18/92/22/629189222.db2.gz GVZBLSWIBZMBKV-LBPRGKRZSA-N 0 1 284.319 2.567 20 30 CFEDMN CCC(CC)CNN=Cc1ccc(N(C)CCOC)nc1 ZINC000790176887 629216381 /nfs/dbraw/zinc/21/63/81/629216381.db2.gz USPJNICMVNSUEM-UHFFFAOYSA-N 0 1 292.427 2.524 20 30 CFEDMN COCCOc1ccccc1C=NNc1ncccc1C ZINC000790185090 629216690 /nfs/dbraw/zinc/21/66/90/629216690.db2.gz AYJWADAXIYPQIC-UHFFFAOYSA-N 0 1 285.347 2.861 20 30 CFEDMN COc1ccc2c(c1)C(N=Nc1ncccc1C)CCO2 ZINC000790187721 629217577 /nfs/dbraw/zinc/21/75/77/629217577.db2.gz ZKHIGAXYMKCYEV-UHFFFAOYSA-N 0 1 283.331 2.997 20 30 CFEDMN CC(=NNc1ncccc1C)c1ccc([S@@](C)=O)cc1 ZINC000790187764 629217588 /nfs/dbraw/zinc/21/75/88/629217588.db2.gz ZQHLISUXSKEQKW-HXUWFJFHSA-N 0 1 287.388 2.964 20 30 CFEDMN CCc1cccc2c1NC(=O)C2=NNc1ncccc1C ZINC000790186719 629217612 /nfs/dbraw/zinc/21/76/12/629217612.db2.gz PZRULJPAQFLFJF-UHFFFAOYSA-N 0 1 280.331 2.721 20 30 CFEDMN COCc1cccc(C=NNc2ncccc2C)c1 ZINC000790191033 629217914 /nfs/dbraw/zinc/21/79/14/629217914.db2.gz PLGWEIJQJPCTGC-UHFFFAOYSA-N 0 1 255.321 2.982 20 30 CFEDMN Cc1cccnc1N=NCc1ccc2c(c1)OCCO2 ZINC000790193794 629218740 /nfs/dbraw/zinc/21/87/40/629218740.db2.gz NDWJWOIJVGRFFC-UHFFFAOYSA-N 0 1 269.304 2.607 20 30 CFEDMN Cc1cccnc1NN=C1CCN(Cc2ccccc2)C1=O ZINC000790191722 629218925 /nfs/dbraw/zinc/21/89/25/629218925.db2.gz XIYMVHLQNVVTRX-UHFFFAOYSA-N 0 1 294.358 2.590 20 30 CFEDMN Cc1ccc[nH+]c1[N-]N=C1COc2ccc(F)cc21 ZINC000790192767 629218944 /nfs/dbraw/zinc/21/89/44/629218944.db2.gz DWHSXNNXVKVZLI-UHFFFAOYSA-N 0 1 257.268 2.738 20 30 CFEDMN C#CCCCC(=O)Nc1cccc2c1OCC[C@H]2N(C)C ZINC000790235607 629221773 /nfs/dbraw/zinc/22/17/73/629221773.db2.gz IIOJEYLDRUGRKW-OAHLLOKOSA-N 0 1 286.375 2.814 20 30 CFEDMN CC(=NNc1nccn1C)c1c(C)nn(C(C)C)c1C ZINC000790303072 629228323 /nfs/dbraw/zinc/22/83/23/629228323.db2.gz QHNXXCQTGSLAAQ-UHFFFAOYSA-N 0 1 274.372 2.650 20 30 CFEDMN N#Cc1ccc(COC(=O)[C@@H]2CCCc3[nH]ncc32)cc1F ZINC000791417890 629312114 /nfs/dbraw/zinc/31/21/14/629312114.db2.gz NSKRRLWSGWKNIL-GFCCVEGCSA-N 0 1 299.305 2.584 20 30 CFEDMN C#C[C@@H](CCC)NC(=O)[C@@H]1CCCCN1Cc1ccccc1 ZINC000791741189 629350601 /nfs/dbraw/zinc/35/06/01/629350601.db2.gz KPNDQWKJRIXRNM-ROUUACIJSA-N 0 1 298.430 2.959 20 30 CFEDMN CCCCCNC(=O)C(C#N)C(=O)[C@@H]1CCC[C@H]1CC ZINC000835057142 629361620 /nfs/dbraw/zinc/36/16/20/629361620.db2.gz RCWMLAVIWOQELA-MGPQQGTHSA-N 0 1 278.396 2.828 20 30 CFEDMN CCC[C@@H]1CCC[C@@H]1C(=O)C(C#N)C(=O)N1CCCC1 ZINC000835059069 629362418 /nfs/dbraw/zinc/36/24/18/629362418.db2.gz WKDQAOICURYSTJ-RDBSUJKOSA-N 0 1 276.380 2.534 20 30 CFEDMN Cc1cc(C(C#N)C(=O)C[C@@H]2CC[C@H]3C[C@H]32)nc(C)n1 ZINC000835058718 629362708 /nfs/dbraw/zinc/36/27/08/629362708.db2.gz BRJIXSPBRIIOBR-FQUUOJAGSA-N 0 1 269.348 2.706 20 30 CFEDMN CC[C@@H]1CCC[C@H]1C(=O)[C@H](C#N)C(=O)NC1CCCCC1 ZINC000835063862 629365738 /nfs/dbraw/zinc/36/57/38/629365738.db2.gz RMOWIRVOHDRGOY-YUELXQCFSA-N 0 1 290.407 2.970 20 30 CFEDMN CC(C)C[C@@H]1C[C@H]1C(=O)C(C#N)C(=O)NC1CCCCC1 ZINC000835063343 629365829 /nfs/dbraw/zinc/36/58/29/629365829.db2.gz KIJSUVLGPYGUKS-YUELXQCFSA-N 0 1 290.407 2.826 20 30 CFEDMN CCc1ccc(NC(=O)C(C#N)C(=O)[C@H]2CC2(F)F)cc1 ZINC000835062911 629366200 /nfs/dbraw/zinc/36/62/00/629366200.db2.gz STGKANMFNOVKML-VXGBXAGGSA-N 0 1 292.285 2.552 20 30 CFEDMN CC(C)CC(CC(C)C)C(=O)C(C#N)C(=O)NC(C)C ZINC000835064997 629366886 /nfs/dbraw/zinc/36/68/86/629366886.db2.gz LKOUQPCTKIKLAT-AWEZNQCLSA-N 0 1 280.412 2.928 20 30 CFEDMN C=CCN(Cc1ccnc(Cl)c1)[C@H](C)COC ZINC000852357866 634732704 /nfs/dbraw/zinc/73/27/04/634732704.db2.gz JIYCTTVETKVXGZ-LLVKDONJSA-N 0 1 254.761 2.758 20 30 CFEDMN CC1(OCC(=O)C(C#N)c2cnc3ccccc3n2)CCC1 ZINC000792104825 629397938 /nfs/dbraw/zinc/39/79/38/629397938.db2.gz RQZVPLQLCNDXQU-LBPRGKRZSA-N 0 1 295.342 2.765 20 30 CFEDMN CC(C)[C@@H](F)C(=O)[C@@H](C#N)c1cnc2ccccc2n1 ZINC000792110478 629397971 /nfs/dbraw/zinc/39/79/71/629397971.db2.gz QGLDISFJEMHAOT-IINYFYTJSA-N 0 1 271.295 2.800 20 30 CFEDMN CCOC(=O)c1csc(C(C#N)C(=O)C=C(C)CC)n1 ZINC000835108249 629413536 /nfs/dbraw/zinc/41/35/36/629413536.db2.gz GKBLHWQEYXWULZ-MBACFSSFSA-N 0 1 292.360 2.852 20 30 CFEDMN CCCCCCCCCN1CCN2C(=O)OC[C@@H]2C1 ZINC000792240804 629413813 /nfs/dbraw/zinc/41/38/13/629413813.db2.gz ODENVIMCECUPLJ-AWEZNQCLSA-N 0 1 268.401 2.873 20 30 CFEDMN CCCCCCCCCN1CCn2c(n[nH]c2=O)C1 ZINC000792287111 629417811 /nfs/dbraw/zinc/41/78/11/629417811.db2.gz MXBHIHWBJPJDLX-UHFFFAOYSA-N 0 1 266.389 2.550 20 30 CFEDMN C[C@@H]1CC(N=Nc2cccc(Cl)n2)CN1C1CC1 ZINC000793161585 629495111 /nfs/dbraw/zinc/49/51/11/629495111.db2.gz KDLSZZRKRHMVDU-SECBINFHSA-N 0 1 264.760 2.760 20 30 CFEDMN CCCn1cc(C=NNc2cccc(Cl)n2)cn1 ZINC000793173810 629498749 /nfs/dbraw/zinc/49/87/49/629498749.db2.gz DAYWIZMDYRLWDI-UHFFFAOYSA-N 0 1 263.732 2.788 20 30 CFEDMN C[C@H]1CN(Cc2ccccc2)CC1N=Nc1ncncc1F ZINC000793211219 629505601 /nfs/dbraw/zinc/50/56/01/629505601.db2.gz JEAGOYQFKOMIBE-LBPRGKRZSA-N 0 1 299.353 2.536 20 30 CFEDMN CC(C)(CC#N)COC(=O)c1cccc(-c2nnc[nH]2)c1 ZINC000793231120 629510472 /nfs/dbraw/zinc/51/04/72/629510472.db2.gz YQRXONPVHRPKIT-UHFFFAOYSA-N 0 1 284.319 2.568 20 30 CFEDMN CC(C)(CCC#N)COC(=O)c1ccc2cncn2c1 ZINC000793324266 629526477 /nfs/dbraw/zinc/52/64/77/629526477.db2.gz HMVXGCDFVOXPEZ-UHFFFAOYSA-N 0 1 271.320 2.821 20 30 CFEDMN CC(C)[C@@H](C)N(C)Cn1cc2c(c(C#N)c1=O)CCCC2 ZINC000793483605 629555024 /nfs/dbraw/zinc/55/50/24/629555024.db2.gz NTOXHFKOKVAPTF-CYBMUJFWSA-N 0 1 287.407 2.533 20 30 CFEDMN N#Cc1ccc(O)c(NC(=O)[C@H]2Cc3ccc(F)cc32)c1 ZINC000793735701 629589576 /nfs/dbraw/zinc/58/95/76/629589576.db2.gz PIELUHHXOXWIHQ-ZDUSSCGKSA-N 0 1 282.274 2.681 20 30 CFEDMN CCc1cccc(F)c1C=NNC1=N[C@@H]2CCCC[C@H]2N1 ZINC000794523092 629654066 /nfs/dbraw/zinc/65/40/66/629654066.db2.gz DBFXHEWLLXDDML-HUUCEWRRSA-N 0 1 288.370 2.582 20 30 CFEDMN Cc1cc2ccccc2nc1NN=Cc1cn(C)cn1 ZINC000794527399 629655399 /nfs/dbraw/zinc/65/53/99/629655399.db2.gz ZCGDDDROHMAPFM-UHFFFAOYSA-N 0 1 265.320 2.723 20 30 CFEDMN CSCCON=C1CCN(Cc2ccccn2)C[C@H]1C ZINC000794574753 629663205 /nfs/dbraw/zinc/66/32/05/629663205.db2.gz OESNUUORHDKELT-CYBMUJFWSA-N 0 1 293.436 2.659 20 30 CFEDMN CC(C)[C@H](NCC1(C#N)CC1)[C@@H](O)c1ccccc1 ZINC000794604688 629667418 /nfs/dbraw/zinc/66/74/18/629667418.db2.gz MUUJKAONAHXJOM-GJZGRUSLSA-N 0 1 258.365 2.638 20 30 CFEDMN CC(C)[C@H](NC[C@@H](C#N)CCC#N)[C@@H](O)c1ccccc1 ZINC000794611864 629668136 /nfs/dbraw/zinc/66/81/36/629668136.db2.gz MDTFLTOCSDOZBW-PVAVHDDUSA-N 0 1 285.391 2.778 20 30 CFEDMN C#CCO[C@@H](C)C(=O)C(C#N)c1ncc(C(C)(C)C)s1 ZINC000835388556 629675288 /nfs/dbraw/zinc/67/52/88/629675288.db2.gz SMLQUCCZNOESLK-WDEREUQCSA-N 0 1 290.388 2.655 20 30 CFEDMN CN(C)Cc1cnc(/C=C\C(=O)c2ccccc2O)s1 ZINC000794700236 629676744 /nfs/dbraw/zinc/67/67/44/629676744.db2.gz HZERSESMPJWLEM-FPLPWBNLSA-N 0 1 288.372 2.806 20 30 CFEDMN C(=NNC1=N[C@H]2CCCC[C@@H]2N1)c1ccc2occc2c1 ZINC000794921886 629705112 /nfs/dbraw/zinc/70/51/12/629705112.db2.gz FELDYBVAYPTPAI-KBPBESRZSA-N 0 1 282.347 2.627 20 30 CFEDMN COc1ccc(NN=C(C)c2ccc3n[nH]cc3c2)nc1 ZINC000794932183 629706433 /nfs/dbraw/zinc/70/64/33/629706433.db2.gz BVMVEMREMSLVSQ-UHFFFAOYSA-N 0 1 281.319 2.803 20 30 CFEDMN Cc1cc(C=NNc2cncnc2)ccc1Br ZINC000794976699 629714174 /nfs/dbraw/zinc/71/41/74/629714174.db2.gz ONSVVLDAZXKEOU-UHFFFAOYSA-N 0 1 291.152 2.994 20 30 CFEDMN C[C@H]1CC(N=Nc2cncnc2)CN(Cc2ccccc2)C1 ZINC000794976928 629714398 /nfs/dbraw/zinc/71/43/98/629714398.db2.gz SMESNXVORICCNP-AWEZNQCLSA-N 0 1 295.390 2.787 20 30 CFEDMN CCCOc1ccc2c(c1)C(N=Nc1cncnc1)CCO2 ZINC000794979176 629715450 /nfs/dbraw/zinc/71/54/50/629715450.db2.gz DAYVXHVZXZYXQL-UHFFFAOYSA-N 0 1 298.346 2.864 20 30 CFEDMN Cc1ccc(CN=Nc2cncnc2)c(Br)c1 ZINC000794979783 629715933 /nfs/dbraw/zinc/71/59/33/629715933.db2.gz SVZBBGAASUWEPG-UHFFFAOYSA-N 0 1 291.152 2.994 20 30 CFEDMN CC(C)N1c2ccccc2C(=NNc2ncccc2F)C1=O ZINC000794993648 629719262 /nfs/dbraw/zinc/71/92/62/629719262.db2.gz NNERLRWWUVACAS-UHFFFAOYSA-N 0 1 298.321 2.792 20 30 CFEDMN C=CCNN=C(C)c1cc(Br)cc(F)c1O ZINC000794999013 629720508 /nfs/dbraw/zinc/72/05/08/629720508.db2.gz SIGFBSINUAIICP-UHFFFAOYSA-N 0 1 287.132 2.793 20 30 CFEDMN Cc1ccc(-c2n[nH]cc2C=NNc2cccc(F)n2)o1 ZINC000795008024 629723384 /nfs/dbraw/zinc/72/33/84/629723384.db2.gz DBHZAPWPGCOFAL-UHFFFAOYSA-N 0 1 285.282 2.958 20 30 CFEDMN N#CC1CCN(c2cc[nH+]c3c([O-])cccc23)CC1 ZINC000795082018 629732509 /nfs/dbraw/zinc/73/25/09/629732509.db2.gz WOYWTQZEFTZMJR-UHFFFAOYSA-N 0 1 253.305 2.680 20 30 CFEDMN N#CC(C(=O)Nc1ccccn1)C(=O)C1CCCCCC1 ZINC000102122782 629814990 /nfs/dbraw/zinc/81/49/90/629814990.db2.gz OJBYSNWAFTXEDK-CYBMUJFWSA-N 0 1 285.347 2.699 20 30 CFEDMN C=CC[C@H](NCc1c(C)cnn1C)c1ccncc1 ZINC000796307264 629901791 /nfs/dbraw/zinc/90/17/91/629901791.db2.gz JAKQZSVAYQITSJ-AWEZNQCLSA-N 0 1 256.353 2.531 20 30 CFEDMN C=C(Br)CN(CCC)CCN1CCCC1 ZINC000796378397 629911116 /nfs/dbraw/zinc/91/11/16/629911116.db2.gz JELLIMDGUDMIJI-UHFFFAOYSA-N 0 1 275.234 2.703 20 30 CFEDMN C=CCNC(=O)C(C#N)C(=O)CC(C)(C)C1CCCCC1 ZINC000796637127 629943509 /nfs/dbraw/zinc/94/35/09/629943509.db2.gz TTZBSGIBFBBZOR-AWEZNQCLSA-N 0 1 290.407 2.994 20 30 CFEDMN CC(C)(CC(=O)[C@@H](C#N)C(=O)NC1CC1)C1CCCCC1 ZINC000796637117 629943865 /nfs/dbraw/zinc/94/38/65/629943865.db2.gz STMPLDKKQRFVLN-CQSZACIVSA-N 0 1 290.407 2.970 20 30 CFEDMN C=CCNC(=O)C(C#N)C(=O)[C@@H]1CCC[C@@H]2CCCC[C@H]12 ZINC000796796439 629969116 /nfs/dbraw/zinc/96/91/16/629969116.db2.gz DPOORFQHZZMQTJ-BYNSBNAKSA-N 0 1 288.391 2.604 20 30 CFEDMN CC[C@H](C)CCC(=O)C(C#N)C(=O)NC1CCCC1 ZINC000796799883 629969170 /nfs/dbraw/zinc/96/91/70/629969170.db2.gz BSHXHVBVWYZBDG-WCQYABFASA-N 0 1 264.369 2.580 20 30 CFEDMN CC[C@@H](C)CCC(=O)C(C#N)C(=O)NC1CCCC1 ZINC000796799880 629969270 /nfs/dbraw/zinc/96/92/70/629969270.db2.gz BSHXHVBVWYZBDG-DGCLKSJQSA-N 0 1 264.369 2.580 20 30 CFEDMN C=CCOCC(=O)C(C#N)c1ncc(C(C)(C)C)s1 ZINC000797571848 630078138 /nfs/dbraw/zinc/07/81/38/630078138.db2.gz RKZULWVLGYRERJ-SNVBAGLBSA-N 0 1 278.377 2.819 20 30 CFEDMN C#CCN1CCC[C@@H]1COC(=O)[C@@H]1[C@H](C)[C@H]1c1ccccc1 ZINC000797554453 630078571 /nfs/dbraw/zinc/07/85/71/630078571.db2.gz VBYCQKUVTLKLNH-NRSFXHEJSA-N 0 1 297.398 2.677 20 30 CFEDMN N#C[C@@H](C(=O)C[C@@H]1CCC(F)(F)C1)C(=O)NC1CCCC1 ZINC000797942411 630128387 /nfs/dbraw/zinc/12/83/87/630128387.db2.gz DXBNDLNWAQVOEA-JQWIXIFHSA-N 0 1 298.333 2.580 20 30 CFEDMN C#CCC[C@H](O)CNc1ccnc2cc(F)c(OC)cc21 ZINC000798419231 630189745 /nfs/dbraw/zinc/18/97/45/630189745.db2.gz DKORKJSJTCVNGM-NSHDSACASA-N 0 1 288.322 2.569 20 30 CFEDMN CCCc1occc1C(=O)C(C#N)C(=O)Nc1ccccn1 ZINC000798817959 630241534 /nfs/dbraw/zinc/24/15/34/630241534.db2.gz JQYJYHUJJIGHPQ-LBPRGKRZSA-N 0 1 297.314 2.588 20 30 CFEDMN CC(C)[C@H](C(=O)O[C@H](C)c1cccc(C#N)c1)N(C)C ZINC000798824308 630242423 /nfs/dbraw/zinc/24/24/23/630242423.db2.gz GLCHQPUFWKZEMZ-IUODEOHRSA-N 0 1 274.364 2.749 20 30 CFEDMN CC(C)[C@H](C(=O)O[C@@H](C)c1cccc(C#N)c1)N(C)C ZINC000798824309 630242620 /nfs/dbraw/zinc/24/26/20/630242620.db2.gz GLCHQPUFWKZEMZ-SWLSCSKDSA-N 0 1 274.364 2.749 20 30 CFEDMN COc1ccccc1CON=C1C[C@@H](C)N(C2CC2)C1 ZINC000799117160 630277955 /nfs/dbraw/zinc/27/79/55/630277955.db2.gz JBUVLKIKILCYEI-GFCCVEGCSA-N 0 1 274.364 2.824 20 30 CFEDMN C=CCN1CC[C@@H](N[C@H](CC)c2ccccc2OC)C1=O ZINC000799156496 630280593 /nfs/dbraw/zinc/28/05/93/630280593.db2.gz WDLVPOKGFZIVPK-HUUCEWRRSA-N 0 1 288.391 2.523 20 30 CFEDMN COC(=O)c1c(F)cccc1N=NCc1ncccc1C ZINC000800818141 630408256 /nfs/dbraw/zinc/40/82/56/630408256.db2.gz JNZFVIBDPYZXMS-UHFFFAOYSA-N 0 1 287.294 2.762 20 30 CFEDMN C[C@H](C#N)OCCN1CCc2cc(F)ccc2[C@@H]1C ZINC000801923061 630488945 /nfs/dbraw/zinc/48/89/45/630488945.db2.gz XWCUHRMCBKCMGL-NEPJUHHUSA-N 0 1 262.328 2.673 20 30 CFEDMN C[C@@H](C#N)OCCN1CCC[C@H]1CC(=O)c1cccs1 ZINC000801933582 630491014 /nfs/dbraw/zinc/49/10/14/630491014.db2.gz AHRKYUVOEYHXHY-STQMWFEESA-N 0 1 292.404 2.714 20 30 CFEDMN C[C@@H](C#N)OCCN[C@@H](C)c1cccc(F)c1F ZINC000801938505 630492307 /nfs/dbraw/zinc/49/23/07/630492307.db2.gz FQDWNRCGLSTYKP-UWVGGRQHSA-N 0 1 254.280 2.544 20 30 CFEDMN N#CC(C(=O)C1=CCOCC1)c1nc2ccccc2s1 ZINC000802036545 630498737 /nfs/dbraw/zinc/49/87/37/630498737.db2.gz ZPPFVWYOBKXVCF-NSHDSACASA-N 0 1 284.340 2.819 20 30 CFEDMN N#CC(C(=O)C1=CCOCC1)c1nc2ccccc2s1 ZINC000802036544 630498939 /nfs/dbraw/zinc/49/89/39/630498939.db2.gz ZPPFVWYOBKXVCF-LLVKDONJSA-N 0 1 284.340 2.819 20 30 CFEDMN CC(C)[C@@H](NCCC#N)[C@@H](O)c1ccc(Cl)cc1 ZINC000852730338 634817251 /nfs/dbraw/zinc/81/72/51/634817251.db2.gz DEUODIIEEFZENH-KGLIPLIRSA-N 0 1 266.772 2.901 20 30 CFEDMN COCCCn1nccc1/C=C/C(=O)c1ccccc1O ZINC000802705858 630539042 /nfs/dbraw/zinc/53/90/42/630539042.db2.gz VIBUAYMKYOBBPR-BQYQJAHWSA-N 0 1 286.331 2.521 20 30 CFEDMN C#CCCN(CCOC)Cc1cccc(OC(C)(C)C)n1 ZINC000852751359 634824124 /nfs/dbraw/zinc/82/41/24/634824124.db2.gz ZCCCIFQZBIVCOX-UHFFFAOYSA-N 0 1 290.407 2.731 20 30 CFEDMN C=CCN1CCN(CN2CC[C@@H](c3ccc(C)cc3)C2)C1=O ZINC000840043613 630674897 /nfs/dbraw/zinc/67/48/97/630674897.db2.gz MDUPXJGQBYJHSL-QGZVFWFLSA-N 0 1 299.418 2.665 20 30 CFEDMN Cc1nsc(NCc2n[nH]c(-c3ccccc3)n2)c1C#N ZINC000804402610 630679826 /nfs/dbraw/zinc/67/98/26/630679826.db2.gz JYJBHIBCTVGIKL-UHFFFAOYSA-N 0 1 296.359 2.720 20 30 CFEDMN Cc1nsc(NCc2nc(-c3ccccc3)n[nH]2)c1C#N ZINC000804402610 630679829 /nfs/dbraw/zinc/67/98/29/630679829.db2.gz JYJBHIBCTVGIKL-UHFFFAOYSA-N 0 1 296.359 2.720 20 30 CFEDMN CCO[C@H]1CC(=NN=c2[nH]c3ccccc3[nH]2)[C@H]1SC ZINC000807945716 630925724 /nfs/dbraw/zinc/92/57/24/630925724.db2.gz HLNKVPMRKPFUJM-QWHCGFSZSA-N 0 1 290.392 2.871 20 30 CFEDMN C(=NN[C@H]1CCSC1)c1cc(-c2ccccc2)[nH]n1 ZINC000808004176 630939624 /nfs/dbraw/zinc/93/96/24/630939624.db2.gz HUEIBZAATGHVRS-LBPRGKRZSA-N 0 1 272.377 2.506 20 30 CFEDMN C(=NNCC1CCCC1)c1ccc(N2CCCC2)nc1 ZINC000808007297 630941092 /nfs/dbraw/zinc/94/10/92/630941092.db2.gz YOBUXNZJAWTBSC-UHFFFAOYSA-N 0 1 272.396 2.796 20 30 CFEDMN Cc1cccc2nc(CNC(=O)C#CC(C)(C)C)[nH]c21 ZINC000837504610 631050284 /nfs/dbraw/zinc/05/02/84/631050284.db2.gz PGLUUXHGQOVMAZ-UHFFFAOYSA-N 0 1 269.348 2.537 20 30 CFEDMN N#CC[C@@H](O)CN1CCC[C@H]1Cc1ccccc1Cl ZINC000809572910 631237857 /nfs/dbraw/zinc/23/78/57/631237857.db2.gz WHCZZFIGISCBMW-UONOGXRCSA-N 0 1 278.783 2.621 20 30 CFEDMN C[C@H](c1ccc(Cl)cc1)N(C)C[C@H](O)CC#N ZINC000809571534 631237952 /nfs/dbraw/zinc/23/79/52/631237952.db2.gz VKDPZXQHITTWHQ-ZWNOBZJWSA-N 0 1 252.745 2.607 20 30 CFEDMN C#Cc1ccc(CNCc2ccc(OC)c([N+](=O)[O-])c2)cc1 ZINC000809610950 631245988 /nfs/dbraw/zinc/24/59/88/631245988.db2.gz KWGJWYWCTCKVOU-UHFFFAOYSA-N 0 1 296.326 2.875 20 30 CFEDMN C#C[C@H](C)N(C)CCN(C(=O)OC(C)(C)C)C(C)(C)C ZINC000809655214 631256994 /nfs/dbraw/zinc/25/69/94/631256994.db2.gz DVNJJCDPWSBQLJ-ZDUSSCGKSA-N 0 1 282.428 2.976 20 30 CFEDMN COc1ccc2c(c1)CCC[C@H]2NCC1(C#N)CC1 ZINC000809658951 631257807 /nfs/dbraw/zinc/25/78/07/631257807.db2.gz BOJLDUACVXBABE-OAHLLOKOSA-N 0 1 256.349 2.966 20 30 CFEDMN C#C[C@H](C)NCc1ccccc1OCc1ccccn1 ZINC000809683105 631260697 /nfs/dbraw/zinc/26/06/97/631260697.db2.gz PLLAMMDIRYGUGX-AWEZNQCLSA-N 0 1 266.344 2.772 20 30 CFEDMN C#C[C@@H](C)NCc1cnn(Cc2ccccc2Cl)c1 ZINC000809684363 631261360 /nfs/dbraw/zinc/26/13/60/631261360.db2.gz ZUKPNZFYOIQBPC-GFCCVEGCSA-N 0 1 273.767 2.696 20 30 CFEDMN C#C[C@H](CC)NCc1cc(OC)cc2c1O[C@@H](C)C2 ZINC000809686552 631262774 /nfs/dbraw/zinc/26/27/74/631262774.db2.gz YEPMMVQUZWQVOD-SMDDNHRTSA-N 0 1 259.349 2.520 20 30 CFEDMN C#CCN(Cc1ccccc1)Cc1cc2c(cc1O)OCO2 ZINC000809716580 631269993 /nfs/dbraw/zinc/26/99/93/631269993.db2.gz PWVRHOAXPXYUON-UHFFFAOYSA-N 0 1 295.338 2.756 20 30 CFEDMN CC#CCN1CCCC[C@H]1COC(=O)NC1CCCC1 ZINC000810033544 631317459 /nfs/dbraw/zinc/31/74/59/631317459.db2.gz FTSISASWZFERTO-HNNXBMFYSA-N 0 1 278.396 2.533 20 30 CFEDMN N#Cc1csc(CNCC2([C@@H](O)c3ccccc3)CC2)n1 ZINC000810150938 631335102 /nfs/dbraw/zinc/33/51/02/631335102.db2.gz PJLSOYQBVSJDFI-HNNXBMFYSA-N 0 1 299.399 2.618 20 30 CFEDMN N#Cc1ccc2c(c1)[C@H](NCc1cccc(F)n1)CC2 ZINC000810227568 631346414 /nfs/dbraw/zinc/34/64/14/631346414.db2.gz GPXRGJSNLKDDSU-OAHLLOKOSA-N 0 1 267.307 2.869 20 30 CFEDMN CO[C@H](CN[C@@H]1CCc2ccc(C#N)cc21)C(F)(F)F ZINC000810231492 631347230 /nfs/dbraw/zinc/34/72/30/631347230.db2.gz DBFOYQJRXPNILJ-CHWSQXEVSA-N 0 1 284.281 2.712 20 30 CFEDMN C=C[C@@H](CC)OC(=O)[C@@]1(F)CCN(C(C)(C)C)C1 ZINC000810655444 631419134 /nfs/dbraw/zinc/41/91/34/631419134.db2.gz PNBDDOJNDCQGTD-SMDDNHRTSA-N 0 1 257.349 2.707 20 30 CFEDMN C=C[C@@H](CC)OC(=O)[C@]1(F)CCN(C(C)(C)C)C1 ZINC000810655442 631419830 /nfs/dbraw/zinc/41/98/30/631419830.db2.gz PNBDDOJNDCQGTD-FZMZJTMJSA-N 0 1 257.349 2.707 20 30 CFEDMN C#CCC(C)(C)COC(=O)[C@]1(F)CCN(C(C)(C)C)C1 ZINC000810660285 631420661 /nfs/dbraw/zinc/42/06/61/631420661.db2.gz IESXNDHHFNHLCW-INIZCTEOSA-N 0 1 283.387 2.792 20 30 CFEDMN CC(C)(C)[C@H](C#N)OC(=O)[C@@]1(F)CCN(C(C)(C)C)C1 ZINC000810666791 631422514 /nfs/dbraw/zinc/42/25/14/631422514.db2.gz UZAUDBXMEYKWTN-XHDPSFHLSA-N 0 1 284.375 2.680 20 30 CFEDMN CC(C)(C)N1CC[C@@](F)(C(=O)OCC(C)(C)CC#N)C1 ZINC000810676495 631425695 /nfs/dbraw/zinc/42/56/95/631425695.db2.gz SPVOZHXWFXHGBB-HNNXBMFYSA-N 0 1 284.375 2.682 20 30 CFEDMN CCCCCCC[C@@H](C)CNC(=O)N1CCNCC1 ZINC000841723965 631459328 /nfs/dbraw/zinc/45/93/28/631459328.db2.gz NUWAXDQPIOUCSF-CQSZACIVSA-N 0 1 269.433 2.598 20 30 CFEDMN CN(CCON=C1CCCOCC1)Cc1ccccc1 ZINC000842040546 631510090 /nfs/dbraw/zinc/51/00/90/631510090.db2.gz ZTAPFWJOMNIGOA-UHFFFAOYSA-N 0 1 276.380 2.692 20 30 CFEDMN CC[C@@H](NCc1nc(C#N)cs1)c1ccccc1O ZINC000842152289 631553820 /nfs/dbraw/zinc/55/38/20/631553820.db2.gz GHMMJYOWGRGIDD-GFCCVEGCSA-N 0 1 273.361 2.961 20 30 CFEDMN C[C@@H](C#N)OCCN1CCC[C@H]1Cc1cc(F)ccc1F ZINC000842161308 631557117 /nfs/dbraw/zinc/55/71/17/631557117.db2.gz NPMZOTPYNTVQGH-WFASDCNBSA-N 0 1 294.345 2.900 20 30 CFEDMN C#C[C@@H](NCc1[nH]ncc1C)c1ccc(Cl)cc1F ZINC000811505950 631573797 /nfs/dbraw/zinc/57/37/97/631573797.db2.gz KNPPRXZPOAKDNI-CYBMUJFWSA-N 0 1 277.730 2.975 20 30 CFEDMN CC[C@H](CC1CCCC1)C(=O)C(C#N)C(=O)NC(C)C ZINC000842288630 631580326 /nfs/dbraw/zinc/58/03/26/631580326.db2.gz KLDATUJELXTUGR-KGLIPLIRSA-N 0 1 278.396 2.826 20 30 CFEDMN CCO[C@H](CC)C(=O)[C@@H](C#N)c1nc2cccc(C)c2[nH]1 ZINC000842308214 631584590 /nfs/dbraw/zinc/58/45/90/631584590.db2.gz SDSLXKMHSHPXOP-DGCLKSJQSA-N 0 1 285.347 2.863 20 30 CFEDMN C[C@H]1C(=NOC[C@H]2CCOC2)CCN1Cc1ccccc1 ZINC000811648902 631592724 /nfs/dbraw/zinc/59/27/24/631592724.db2.gz UHKPBIPZIYNNNK-HOCLYGCPSA-N 0 1 288.391 2.690 20 30 CFEDMN CC(=C[NH+]=Nc1nnc[n-]1)Cc1ccccc1OC(F)F ZINC000811650317 631593127 /nfs/dbraw/zinc/59/31/27/631593127.db2.gz VGZAUXAOTSARJH-MNXMZDCQSA-N 0 1 293.277 2.907 20 30 CFEDMN FC(F)(F)CCN1CCC(=NNC23CC(C2)C3)CC1 ZINC000842546011 631661084 /nfs/dbraw/zinc/66/10/84/631661084.db2.gz BTXASGUAERZRKU-UHFFFAOYSA-N 0 1 275.318 2.533 20 30 CFEDMN C(=NNC12CC(C1)C2)c1cc(-c2ccccc2)[nH]n1 ZINC000842545515 631661364 /nfs/dbraw/zinc/66/13/64/631661364.db2.gz GPHXXAXTQVJEAR-UHFFFAOYSA-N 0 1 252.321 2.553 20 30 CFEDMN CC(=NNc1c(F)cccc1Cl)c1cc(CO)on1 ZINC000812230467 631671438 /nfs/dbraw/zinc/67/14/38/631671438.db2.gz WCTDHULBJXMWOH-UHFFFAOYSA-N 0 1 283.690 2.796 20 30 CFEDMN CCOC(=O)c1ccc(NN=Cc2[nH]cnc2C)cc1C ZINC000812228334 631671669 /nfs/dbraw/zinc/67/16/69/631671669.db2.gz LXHUZJIJMSKUSJ-UHFFFAOYSA-N 0 1 286.335 2.649 20 30 CFEDMN CC(C)OCCON=Cc1ccc(N(C)CCC#N)cc1 ZINC000812238777 631675923 /nfs/dbraw/zinc/67/59/23/631675923.db2.gz GAOLXTGLKRWKLU-UHFFFAOYSA-N 0 1 289.379 2.812 20 30 CFEDMN C#CC[C@H]1CCCN(Cn2cc(C)cnc2=S)C1 ZINC000842629369 631685909 /nfs/dbraw/zinc/68/59/09/631685909.db2.gz LTIWEWAQINSGMS-ZDUSSCGKSA-N 0 1 261.394 2.614 20 30 CFEDMN C#CC1CCN(CN2C[C@H](c3ccc(C)cc3)CC2=O)CC1 ZINC000842633459 631687597 /nfs/dbraw/zinc/68/75/97/631687597.db2.gz IEDVIGZSAXEWPL-GOSISDBHSA-N 0 1 296.414 2.614 20 30 CFEDMN CCC[C@@H](C)CC(=O)C(C#N)C(=O)NCc1ccccc1 ZINC000155463607 650022102 /nfs/dbraw/zinc/02/21/02/650022102.db2.gz SPNOBPPZUSRONJ-UKRRQHHQSA-N 0 1 286.375 2.838 20 30 CFEDMN Cn1c2ccccc2nc1[C@@H](C#N)C(=O)C1(C(F)F)CC1 ZINC000842678159 631702368 /nfs/dbraw/zinc/70/23/68/631702368.db2.gz YFEDIAMELMTCGJ-VIFPVBQESA-N 0 1 289.285 2.795 20 30 CFEDMN CC(C)=CCC[C@H](C)CC(=O)[C@@H](C#N)C(=O)NC1CC1 ZINC000842684568 631705932 /nfs/dbraw/zinc/70/59/32/631705932.db2.gz HWMFYLUOVUJYEY-GXTWGEPZSA-N 0 1 276.380 2.746 20 30 CFEDMN C#CCN(CC(=O)NCCc1ccccc1C)C1CCCC1 ZINC000155760492 650031065 /nfs/dbraw/zinc/03/10/65/650031065.db2.gz GQCZQKHQSBJYDB-UHFFFAOYSA-N 0 1 298.430 2.532 20 30 CFEDMN N#CC(C(=O)CCCC1CC1)C(=O)NC1CCCCC1 ZINC000813060005 631822083 /nfs/dbraw/zinc/82/20/83/631822083.db2.gz NKVNZZUBDPEZPY-AWEZNQCLSA-N 0 1 276.380 2.724 20 30 CFEDMN CO[C@](C)(C(=O)C(C#N)c1cnc2ccccc2n1)C1CC1 ZINC000813090950 631833126 /nfs/dbraw/zinc/83/31/26/631833126.db2.gz TWITYSVECZNGKG-PXAZEXFGSA-N 0 1 295.342 2.621 20 30 CFEDMN C=CCOc1ccc(-c2nc([C@@H](N)C(C)C)no2)cc1 ZINC000843147822 631859112 /nfs/dbraw/zinc/85/91/12/631859112.db2.gz HBRGSZOAGPLCQV-ZDUSSCGKSA-N 0 1 273.336 2.957 20 30 CFEDMN N#C[C@H](C(=O)[C@H]1CCCOC1)c1cc(C(F)(F)F)ccn1 ZINC000813218102 631883016 /nfs/dbraw/zinc/88/30/16/631883016.db2.gz MBGMCIWGMGRNHK-ONGXEEELSA-N 0 1 298.264 2.703 20 30 CFEDMN C#CC[C@@H]1CCCN(Cc2nc3c(s2)CCC3)C1 ZINC000843423884 631953344 /nfs/dbraw/zinc/95/33/44/631953344.db2.gz LJTYTACJBIMXDR-GFCCVEGCSA-N 0 1 260.406 2.867 20 30 CFEDMN FC(F)(F)CCN1CCC(=NOCC2CC2)CC1 ZINC000814244612 632044382 /nfs/dbraw/zinc/04/43/82/632044382.db2.gz CDINWJNRBWXXLW-UHFFFAOYSA-N 0 1 264.291 2.817 20 30 CFEDMN COc1ccncc1CNCc1ccc(O[C@H](C)C#N)cc1 ZINC000814298993 632050677 /nfs/dbraw/zinc/05/06/77/632050677.db2.gz ZYUVTVXQPJLHJH-CYBMUJFWSA-N 0 1 297.358 2.671 20 30 CFEDMN N#Cc1ccc(O)c(NC(=O)/C=C\C2CCCC2)c1 ZINC000843842157 632065693 /nfs/dbraw/zinc/06/56/93/632065693.db2.gz GFVAUZLWTPALBQ-VURMDHGXSA-N 0 1 256.305 2.949 20 30 CFEDMN C#C[C@H](NC(=O)c1[nH]nc2c1CCCCC2)c1ccccc1 ZINC000843964364 632084766 /nfs/dbraw/zinc/08/47/66/632084766.db2.gz AFFZYEQVMIAYBD-HNNXBMFYSA-N 0 1 293.370 2.783 20 30 CFEDMN CCCN(C(=O)C#Cc1ccc(CC)cc1)[C@@H]1CCN(C)C1 ZINC000843987367 632088048 /nfs/dbraw/zinc/08/80/48/632088048.db2.gz FAHMEUYYCFBXDZ-GOSISDBHSA-N 0 1 298.430 2.543 20 30 CFEDMN C=CCCONC(=O)[C@@H]1CC(C)(C)Oc2ccccc21 ZINC000856027122 635703145 /nfs/dbraw/zinc/70/31/45/635703145.db2.gz AGEHHVQENJYJQY-CYBMUJFWSA-N 0 1 275.348 2.955 20 30 CFEDMN C=CCCONC(=O)[C@H]1CC(C)(C)Oc2ccccc21 ZINC000856027123 635703541 /nfs/dbraw/zinc/70/35/41/635703541.db2.gz AGEHHVQENJYJQY-ZDUSSCGKSA-N 0 1 275.348 2.955 20 30 CFEDMN C[C@H]1C(N=Nc2ncccn2)CCCN1Cc1ccccc1 ZINC000814797347 632126254 /nfs/dbraw/zinc/12/62/54/632126254.db2.gz LGNYWSDKKOIMML-AWEZNQCLSA-N 0 1 295.390 2.929 20 30 CFEDMN Cc1nccc(C=NNc2nccc3sccc32)n1 ZINC000814809347 632129790 /nfs/dbraw/zinc/12/97/90/632129790.db2.gz XZDRTWYGYQFGKI-UHFFFAOYSA-N 0 1 269.333 2.841 20 30 CFEDMN CC(=[NH+][N-]c1ncccc1Cl)c1ccc(N)nc1 ZINC000814810554 632129861 /nfs/dbraw/zinc/12/98/61/632129861.db2.gz QBGSNGANJGZGAE-UHFFFAOYSA-N 0 1 261.716 2.548 20 30 CFEDMN CC(C)(C#N)[C@H]1CCCC1=NNCCN1CCCCC1 ZINC000814808893 632129983 /nfs/dbraw/zinc/12/99/83/632129983.db2.gz USLYOYPQNSFWIA-AWEZNQCLSA-N 0 1 276.428 2.768 20 30 CFEDMN CC(C)[C@H]1CC(=NNCCN2CCCCC2)CS1 ZINC000814809117 632130140 /nfs/dbraw/zinc/13/01/40/632130140.db2.gz YQJKQMKDQAMTKQ-CQSZACIVSA-N 0 1 269.458 2.579 20 30 CFEDMN CC(=[NH+][N-]c1c(F)cccc1F)c1ccc(N)nc1 ZINC000814852666 632138971 /nfs/dbraw/zinc/13/89/71/632138971.db2.gz JUTCAYHFODXPHB-UHFFFAOYSA-N 0 1 262.263 2.778 20 30 CFEDMN Cc1cc[nH+]c([N-]N=Cc2ncc(Cl)s2)c1 ZINC000814867672 632142206 /nfs/dbraw/zinc/14/22/06/632142206.db2.gz AWYXFPYOSIHHDW-UHFFFAOYSA-N 0 1 252.730 2.946 20 30 CFEDMN Cc1ccnc(NN=Cc2ncc(Cl)s2)c1 ZINC000814867672 632142212 /nfs/dbraw/zinc/14/22/12/632142212.db2.gz AWYXFPYOSIHHDW-UHFFFAOYSA-N 0 1 252.730 2.946 20 30 CFEDMN CCC(=NN[C@H](C)COC)c1ccc(Cl)c(N)c1 ZINC000814895363 632152690 /nfs/dbraw/zinc/15/26/90/632152690.db2.gz LCMCYUPGQMHYHQ-SECBINFHSA-N 0 1 269.776 2.661 20 30 CFEDMN COc1cccc(CN=Nc2ccc(F)c(F)c2F)n1 ZINC000814945457 632176900 /nfs/dbraw/zinc/17/69/00/632176900.db2.gz CXTCECVWEQPVDY-UHFFFAOYSA-N 0 1 281.237 2.954 20 30 CFEDMN NC(=O)c1ccccc1CN=Nc1ccc(F)c(F)c1F ZINC000814945879 632177776 /nfs/dbraw/zinc/17/77/76/632177776.db2.gz VDKHMZQUAXMNSZ-UHFFFAOYSA-N 0 1 293.248 2.649 20 30 CFEDMN Fc1ccc(N=NCc2cnc3ncccn23)c(F)c1F ZINC000814945870 632177987 /nfs/dbraw/zinc/17/79/87/632177987.db2.gz USTWIYKQKLPCJN-UHFFFAOYSA-N 0 1 291.236 2.593 20 30 CFEDMN CC(=NNC[C@@H](C)O)c1ccc(N2CCCCC2)c(F)c1 ZINC000814960062 632179879 /nfs/dbraw/zinc/17/98/79/632179879.db2.gz NSHAPJNGTPUOEM-GFCCVEGCSA-N 0 1 293.386 2.510 20 30 CFEDMN CCc1nc(C)c(CN(C)C[C@@H](O)c2cccc(C#N)c2)o1 ZINC000844371719 632183038 /nfs/dbraw/zinc/18/30/38/632183038.db2.gz QYAFCNKQUBCTMX-OAHLLOKOSA-N 0 1 299.374 2.583 20 30 CFEDMN CC(N=Nc1cnnn1C)c1ccc(-c2ccccc2)o1 ZINC000814981590 632183824 /nfs/dbraw/zinc/18/38/24/632183824.db2.gz MAGIHZDCSUGLFF-UHFFFAOYSA-N 0 1 281.319 2.911 20 30 CFEDMN Cn1nncc1N=NCc1ccccc1OC1CCCC1 ZINC000814982974 632185420 /nfs/dbraw/zinc/18/54/20/632185420.db2.gz WREHLQZUFWIRSN-UHFFFAOYSA-N 0 1 285.351 2.583 20 30 CFEDMN Cc1c2ccccc2oc1C(C)N=Nc1cnnn1C ZINC000814983397 632185504 /nfs/dbraw/zinc/18/55/04/632185504.db2.gz HVDOKWCYHOXJCY-UHFFFAOYSA-N 0 1 269.308 2.706 20 30 CFEDMN C=CCN(CC=C)C(=O)[C@H](C)N1CCC[C@@]2(CC2(F)F)C1 ZINC000844436920 632210090 /nfs/dbraw/zinc/21/00/90/632210090.db2.gz IZRDPFJAOGZGCR-DZGCQCFKSA-N 0 1 298.377 2.697 20 30 CFEDMN Cc1c(N=NC2CC[N@@H+](C)[C@H](C)C2)cccc1C(=O)[O-] ZINC000844623335 632267124 /nfs/dbraw/zinc/26/71/24/632267124.db2.gz IRSKLMHDJZUZIB-SNVBAGLBSA-N 0 1 275.352 2.575 20 30 CFEDMN C=CCC(F)(F)C(=O)Nc1nc(-c2ccc(C)cc2)n[nH]1 ZINC000815556660 632288931 /nfs/dbraw/zinc/28/89/31/632288931.db2.gz BEDWXUILMDYLRL-UHFFFAOYSA-N 0 1 292.289 2.930 20 30 CFEDMN C=CCC(F)(F)C(=O)NCc1nc2cccc(C)c2[nH]1 ZINC000815892407 632329658 /nfs/dbraw/zinc/32/96/58/632329658.db2.gz PEWIKHHHONVSJT-UHFFFAOYSA-N 0 1 279.290 2.699 20 30 CFEDMN CCc1ccc(C#CC(=O)N2C[C@H](C)N(CC)C[C@@H]2C)cc1 ZINC000815892289 632329688 /nfs/dbraw/zinc/32/96/88/632329688.db2.gz LWQADOFBEARHLO-HOTGVXAUSA-N 0 1 298.430 2.542 20 30 CFEDMN Cc1cccc(NC(=O)C(C#N)C(=O)[C@H](C)C(C)(F)F)c1 ZINC000815907903 632332510 /nfs/dbraw/zinc/33/25/10/632332510.db2.gz NOTGBLCBYJXBGU-CMPLNLGQSA-N 0 1 294.301 2.934 20 30 CFEDMN C=CCOCC[NH2+]Cc1ccc2ccccc2c1[O-] ZINC000816565915 632485541 /nfs/dbraw/zinc/48/55/41/632485541.db2.gz GBGKAMVCTNPPGP-UHFFFAOYSA-N 0 1 257.333 2.838 20 30 CFEDMN C=CCc1cc(CN2C[C@@H](C)[C@H]2C)cc(OC)c1O ZINC000816650132 632505222 /nfs/dbraw/zinc/50/52/22/632505222.db2.gz VJXFQBPRHNRTRX-VXGBXAGGSA-N 0 1 261.365 2.970 20 30 CFEDMN CC(C)(C)OCC(O)=C(C#N)C(=O)C1(c2ccccc2)CC1 ZINC000845846148 632579325 /nfs/dbraw/zinc/57/93/25/632579325.db2.gz RFCDSXAJPDVEOL-AWEZNQCLSA-N 0 1 299.370 2.811 20 30 CFEDMN N#CCCCC(=O)C(C#N)=C(O)C1(c2ccccc2)CC1 ZINC000845845158 632579371 /nfs/dbraw/zinc/57/93/71/632579371.db2.gz VRYNOXGUUBQLIQ-AWEZNQCLSA-N 0 1 280.327 2.690 20 30 CFEDMN CCOc1ccc(O)c(CNCC2(C#N)CCCC2)c1 ZINC000846009677 632613062 /nfs/dbraw/zinc/61/30/62/632613062.db2.gz ASQDKGKTZGONKD-UHFFFAOYSA-N 0 1 274.364 2.964 20 30 CFEDMN C=CC[N@H+](CCn1ccc2cc(Cl)ccc21)CC(=O)[O-] ZINC000846263585 632676434 /nfs/dbraw/zinc/67/64/34/632676434.db2.gz XTAIQIOMZNKRLQ-UHFFFAOYSA-N 0 1 292.766 2.867 20 30 CFEDMN C=CC[N@@H+](CC(=O)[O-])Cc1ccc(C(C)C)nc1C ZINC000846263157 632677087 /nfs/dbraw/zinc/67/70/87/632677087.db2.gz BVYVAFZZGDCMEV-UHFFFAOYSA-N 0 1 262.353 2.586 20 30 CFEDMN C=CC[N@H+](CC[C@H](C)OCc1ccccc1)CC(=O)[O-] ZINC000846263344 632677353 /nfs/dbraw/zinc/67/73/53/632677353.db2.gz IUJHLWRAEVWABK-AWEZNQCLSA-N 0 1 277.364 2.554 20 30 CFEDMN C=C(C)CONC(=O)[C@@H](C)[C@H]1OCCc2sccc21 ZINC000846534303 632724759 /nfs/dbraw/zinc/72/47/59/632724759.db2.gz OYQUKJVAZRKRGJ-GXFFZTMASA-N 0 1 281.377 2.622 20 30 CFEDMN C=C[C@@H](C)ONC(=O)C(C)(C)c1ccc(F)cc1 ZINC000846544913 632732822 /nfs/dbraw/zinc/73/28/22/632732822.db2.gz LGNXKCLFUUSWJL-SNVBAGLBSA-N 0 1 251.301 2.726 20 30 CFEDMN C=C[C@H](C)ONC(=O)C(C)(C)c1ccc(OC)c(OC)c1 ZINC000846545901 632733742 /nfs/dbraw/zinc/73/37/42/632733742.db2.gz JREBGUDPDRCTDC-NSHDSACASA-N 0 1 293.363 2.604 20 30 CFEDMN C=C[C@@H](C)ONC(=O)[C@@H](C)c1cn(C)c2ccccc12 ZINC000846547019 632735695 /nfs/dbraw/zinc/73/56/95/632735695.db2.gz AOXBKSQLICXGFG-NEPJUHHUSA-N 0 1 272.348 2.904 20 30 CFEDMN C=C[C@H](C)ONC(=O)C(C)(C)COCc1ccccc1 ZINC000846552995 632740830 /nfs/dbraw/zinc/74/08/30/632740830.db2.gz VACWCUISVGQVRQ-ZDUSSCGKSA-N 0 1 277.364 2.852 20 30 CFEDMN C#C[C@H]1CCCN(Cc2c(C)cc(C)nc2OC)C1 ZINC000847020009 632883545 /nfs/dbraw/zinc/88/35/45/632883545.db2.gz VBPNBSWHJFNGGG-AWEZNQCLSA-N 0 1 258.365 2.552 20 30 CFEDMN C#C[C@H]1CCCN(Cc2cnn(-c3ccccc3)c2)C1 ZINC000847021856 632886543 /nfs/dbraw/zinc/88/65/43/632886543.db2.gz BYQNNDMMYIUYTP-HNNXBMFYSA-N 0 1 265.360 2.718 20 30 CFEDMN C#C[C@H]1CCCN([C@H](C)C(=O)Nc2cc(C)cc(C)c2)C1 ZINC000847022064 632886934 /nfs/dbraw/zinc/88/69/34/632886934.db2.gz FGZLQSLTQJLJGX-CVEARBPZSA-N 0 1 284.403 2.976 20 30 CFEDMN C#C[C@@H]1CCCN(C[C@H](O)c2ccc(Cl)c(F)c2)C1 ZINC000847021939 632887312 /nfs/dbraw/zinc/88/73/12/632887312.db2.gz QVCFBIKBNQURKK-ABAIWWIYSA-N 0 1 281.758 2.858 20 30 CFEDMN C#C[C@@H]1CCCN(C[C@H](O)c2cccc(Cl)c2)C1 ZINC000847023908 632888514 /nfs/dbraw/zinc/88/85/14/632888514.db2.gz GJRPKKVATJWSLY-DOMZBBRYSA-N 0 1 263.768 2.719 20 30 CFEDMN C#C[C@H]1CCCN(CC(=O)N(C(C)C)C2CCCC2)C1 ZINC000847023939 632888886 /nfs/dbraw/zinc/88/88/86/632888886.db2.gz GRQSCLBZTWSRDI-HNNXBMFYSA-N 0 1 276.424 2.511 20 30 CFEDMN C#C[C@H]1CCCN(CC(=O)N[C@@H](CCC)c2ccccc2)C1 ZINC000847024904 632891114 /nfs/dbraw/zinc/89/11/14/632891114.db2.gz AGDZPDCGLDABEY-WMZOPIPTSA-N 0 1 298.430 2.989 20 30 CFEDMN C#C[C@H]1CCCN(Cc2cc(C(=O)OC)sc2C)C1 ZINC000847024747 632891363 /nfs/dbraw/zinc/89/13/63/632891363.db2.gz KVEQAPQFEOENRT-LBPRGKRZSA-N 0 1 277.389 2.688 20 30 CFEDMN C#C[C@@H]1CCCN(Cc2cc(OC)ccc2OC)C1 ZINC000847025277 632891539 /nfs/dbraw/zinc/89/15/39/632891539.db2.gz VQMUWVMGIRVYBP-CYBMUJFWSA-N 0 1 259.349 2.549 20 30 CFEDMN C#C[C@@H]1CCCN([C@@H](C)C(=O)N(C)C2CCCCC2)C1 ZINC000847029175 632895078 /nfs/dbraw/zinc/89/50/78/632895078.db2.gz LMEMOQUUBUVADF-LSDHHAIUSA-N 0 1 276.424 2.511 20 30 CFEDMN Cc1ccc(N(CCC#N)C(=O)[C@@H](C)Cc2cnc[nH]2)cc1 ZINC000847401523 632983010 /nfs/dbraw/zinc/98/30/10/632983010.db2.gz KRPJRLKRSFOCPV-AWEZNQCLSA-N 0 1 296.374 2.844 20 30 CFEDMN Cc1cc(C)cc([C@H](O)CNCC2(C#N)CCC2)c1 ZINC000819377871 633140079 /nfs/dbraw/zinc/14/00/79/633140079.db2.gz RLWUONZZSGFVAP-OAHLLOKOSA-N 0 1 258.365 2.620 20 30 CFEDMN C[C@@H](COC(=O)c1cc(C#N)cs1)N1CCCCC1 ZINC000847960295 633166683 /nfs/dbraw/zinc/16/66/83/633166683.db2.gz MWOSBUKYKHZDKL-NSHDSACASA-N 0 1 278.377 2.651 20 30 CFEDMN C=CCOc1cccnc1C(=O)OCc1cc(C2CC2)[nH]n1 ZINC000848013503 633186617 /nfs/dbraw/zinc/18/66/17/633186617.db2.gz ZUJFURFQJIATEJ-UHFFFAOYSA-N 0 1 299.330 2.604 20 30 CFEDMN N#Cc1ccsc1C(=O)OCc1cc(C2CC2)[nH]n1 ZINC000848012604 633186776 /nfs/dbraw/zinc/18/67/76/633186776.db2.gz DIOJSOQWZGBYFX-UHFFFAOYSA-N 0 1 273.317 2.577 20 30 CFEDMN C=C(C)CO[N-]C(=O)[C@H](c1ccc(Cl)cc1)[NH+](C)C ZINC000848245022 633223162 /nfs/dbraw/zinc/22/31/62/633223162.db2.gz RHXYTINTOCOQJT-ZDUSSCGKSA-N 0 1 282.771 2.567 20 30 CFEDMN C#C[C@@H]1CCCN(C(=O)[C@H](c2ccccc2)N(CC)CC)C1 ZINC000848285006 633232635 /nfs/dbraw/zinc/23/26/35/633232635.db2.gz PWPIADGKFPNSBK-AEFFLSMTSA-N 0 1 298.430 2.941 20 30 CFEDMN c1ccc(CNN=C2CCCN3CCCC[C@H]23)cc1 ZINC000848403556 633249865 /nfs/dbraw/zinc/24/98/65/633249865.db2.gz XSRRNZNVCDGIBM-MRXNPFEDSA-N 0 1 257.381 2.781 20 30 CFEDMN Fc1ccccc1CCNN=C1CCCN2CCCC[C@@H]12 ZINC000848407405 633250538 /nfs/dbraw/zinc/25/05/38/633250538.db2.gz NRGAQSFQJPUVDP-KRWDZBQOSA-N 0 1 289.398 2.962 20 30 CFEDMN C=CCCN(C)Cn1cc(-c2ccccc2[N+](=O)[O-])cn1 ZINC000848484704 633266492 /nfs/dbraw/zinc/26/64/92/633266492.db2.gz CZANYEUNEXVHGI-UHFFFAOYSA-N 0 1 286.335 2.924 20 30 CFEDMN C#CCOc1ccccc1CN[C@@H](C)c1ccnc(OC)c1 ZINC000848534767 633280682 /nfs/dbraw/zinc/28/06/82/633280682.db2.gz VDVWQPCXJQMVKT-AWEZNQCLSA-N 0 1 296.370 2.953 20 30 CFEDMN Cc1cc(CNC2(c3ccc(C#N)cc3)CCC2)n(C)n1 ZINC000848567763 633291533 /nfs/dbraw/zinc/29/15/33/633291533.db2.gz NMKVTCRLSCSRAC-UHFFFAOYSA-N 0 1 280.375 2.769 20 30 CFEDMN C#C[C@H](NCc1ccc(/C=C\C(=O)OC)o1)C(C)(C)C ZINC000848911879 633396188 /nfs/dbraw/zinc/39/61/88/633396188.db2.gz JZTXKSMOIKMRJA-CMUBDUJZSA-N 0 1 275.348 2.603 20 30 CFEDMN Cc1noc(C2CN(Cc3ccc(C(C)(C)C#N)cc3)C2)n1 ZINC000848915263 633399236 /nfs/dbraw/zinc/39/92/36/633399236.db2.gz USRHHMFREFUNAY-UHFFFAOYSA-N 0 1 296.374 2.779 20 30 CFEDMN C#C[C@@H]1CCCN(Cc2ccc(C)c([N+](=O)[O-])c2)C1 ZINC000848923253 633404754 /nfs/dbraw/zinc/40/47/54/633404754.db2.gz HHXAYEGCIGANQJ-CYBMUJFWSA-N 0 1 258.321 2.748 20 30 CFEDMN C#C[C@H]1CCCN(Cc2cc(OC)ccc2OCOC)C1 ZINC000848923165 633404915 /nfs/dbraw/zinc/40/49/15/633404915.db2.gz AETIMQBCTJHXPO-AWEZNQCLSA-N 0 1 289.375 2.523 20 30 CFEDMN C#C[C@H]1CCCN(Cc2cccc(OC)c2OC)C1 ZINC000848923035 633405244 /nfs/dbraw/zinc/40/52/44/633405244.db2.gz CRCGPNLLKYDUNX-ZDUSSCGKSA-N 0 1 259.349 2.549 20 30 CFEDMN C#C[C@@H]1CCCN(Cc2ccc(OC)c(OC)c2OC)C1 ZINC000848923667 633405905 /nfs/dbraw/zinc/40/59/05/633405905.db2.gz OPLIIPJKTVMWEV-CYBMUJFWSA-N 0 1 289.375 2.558 20 30 CFEDMN C#C[C@H]1CCCN(Cc2cc(OC)c(OC)c(OC)c2)C1 ZINC000848923740 633406261 /nfs/dbraw/zinc/40/62/61/633406261.db2.gz PLIOVMSHGJKFON-ZDUSSCGKSA-N 0 1 289.375 2.558 20 30 CFEDMN O=C(/C=C\c1cn(C2CCC2)nn1)c1ccc(O)c(F)c1 ZINC000849244590 633589005 /nfs/dbraw/zinc/58/90/05/633589005.db2.gz FNLQNSLXWBOICK-ALCCZGGFSA-N 0 1 287.294 2.744 20 30 CFEDMN COc1ccc(C(=O)/C=C/c2cn(C3CCC3)nn2)c(O)c1 ZINC000849247746 633590306 /nfs/dbraw/zinc/59/03/06/633590306.db2.gz XGXNKIPNSSCKBA-VMPITWQZSA-N 0 1 299.330 2.613 20 30 CFEDMN CO[C@H](CNCc1ccc(C2(C#N)CC2)cc1)C(F)(F)F ZINC000850136396 633851520 /nfs/dbraw/zinc/85/15/20/633851520.db2.gz YUDWHDGWLHGPRT-CYBMUJFWSA-N 0 1 298.308 2.909 20 30 CFEDMN Cc1ccc(CNC(C)(C)c2cccc(C#N)c2)nn1 ZINC000850355483 633952551 /nfs/dbraw/zinc/95/25/51/633952551.db2.gz JPWNTJGJVVTPLH-UHFFFAOYSA-N 0 1 266.348 2.682 20 30 CFEDMN C#CCOc1ccc(CN[C@@H]2C[C@@H](O)c3ccccc32)cc1 ZINC000850371836 633962720 /nfs/dbraw/zinc/96/27/20/633962720.db2.gz MMYOIXSRQQHXOA-RTBURBONSA-N 0 1 293.366 2.967 20 30 CFEDMN C#C[C@H](N[C@@H](C)c1cc2cnccc2o1)[C@H]1CCCO1 ZINC000850462424 634003419 /nfs/dbraw/zinc/00/34/19/634003419.db2.gz QBKDOARLMXYTHY-CORIIIEPSA-N 0 1 270.332 2.659 20 30 CFEDMN CCCCCCNC(=O)[C@@H](C#N)C(=O)[C@H]1CCC1(C)C ZINC000850751588 634079365 /nfs/dbraw/zinc/07/93/65/634079365.db2.gz DNUDEZYUYKZDEH-QWHCGFSZSA-N 0 1 278.396 2.828 20 30 CFEDMN CCCCCNC(=O)C(C#N)C(=O)[C@@H]1CCCC2(CC2)C1 ZINC000850752810 634079491 /nfs/dbraw/zinc/07/94/91/634079491.db2.gz TWWLWNPMBOBQJQ-KGLIPLIRSA-N 0 1 290.407 2.972 20 30 CFEDMN N#CC(C(=O)NC1CCCC1)C(=O)[C@H]1CCCC2(CC2)C1 ZINC000850767663 634083783 /nfs/dbraw/zinc/08/37/83/634083783.db2.gz FGGOKKHJRPYNCG-GXTWGEPZSA-N 0 1 288.391 2.724 20 30 CFEDMN Cc1cccc2nc([C@H](C#N)C(=O)[C@H](C)CC#N)[nH]c21 ZINC000850850329 634109863 /nfs/dbraw/zinc/10/98/63/634109863.db2.gz UTSFCIUQRKPDKT-GHMZBOCLSA-N 0 1 266.304 2.597 20 30 CFEDMN Cc1ccc(N=NCc2c(C3CCC3)cnn2C)nc1 ZINC000853300740 634962127 /nfs/dbraw/zinc/96/21/27/634962127.db2.gz ARCCRRGCGAMMHJ-UHFFFAOYSA-N 0 1 269.352 2.837 20 30 CFEDMN Cc1ccc(NN=Cc2cccc(OC3CC3)c2F)nn1 ZINC000853304256 634963172 /nfs/dbraw/zinc/96/31/72/634963172.db2.gz GFXPXJTUNLBSBM-UHFFFAOYSA-N 0 1 286.310 2.911 20 30 CFEDMN C[C@@H]1CCCCN1N=Cc1cc(-c2cccnc2)[nH]n1 ZINC000853381257 634988072 /nfs/dbraw/zinc/98/80/72/634988072.db2.gz YWSJIIZYLLSFTN-GFCCVEGCSA-N 0 1 269.352 2.680 20 30 CFEDMN CCc1nc(C)c(C(C)N=Nc2ccncc2F)s1 ZINC000853402159 634995026 /nfs/dbraw/zinc/99/50/26/634995026.db2.gz PHEQPBGKTJRLLQ-UHFFFAOYSA-N 0 1 278.356 2.806 20 30 CFEDMN C[C@@H]1C(N=Nc2ccncc2F)CCN1Cc1ccccc1 ZINC000853403153 634995085 /nfs/dbraw/zinc/99/50/85/634995085.db2.gz RWGGKXGDNLDSTC-CYBMUJFWSA-N 0 1 298.365 2.705 20 30 CFEDMN C#CCCCOc1cccnc1N[C@@H]1C[C@H](C)[N@H+](C2CC2)C1 ZINC000853435284 634998638 /nfs/dbraw/zinc/99/86/38/634998638.db2.gz JMPBSXWTNAEGFK-LSDHHAIUSA-N 0 1 299.418 2.911 20 30 CFEDMN C=CC[C@@H]1CCCN(CN2C(=O)CC3(CCCC3)C2=O)C1 ZINC000853536769 635031437 /nfs/dbraw/zinc/03/14/37/635031437.db2.gz XTLIUARYODWFAW-CQSZACIVSA-N 0 1 290.407 2.551 20 30 CFEDMN C=C1C[C@H]2CC[C@@H](C1)N2CN1C(=O)[C@H]2CCCCC[C@H]21 ZINC000853598116 635045787 /nfs/dbraw/zinc/04/57/87/635045787.db2.gz LDJWJKFQSRLHEH-XUWVNRHRSA-N 0 1 274.408 2.918 20 30 CFEDMN C=C(Cl)CONC(=O)C(C)(C)c1ccccc1 ZINC000853664535 635066616 /nfs/dbraw/zinc/06/66/16/635066616.db2.gz PHKXEQLIUICQBU-UHFFFAOYSA-N 0 1 253.729 2.765 20 30 CFEDMN CC(C)(C)N1CC[C@H]1CNc1snc(Cl)c1C#N ZINC000853746200 635091974 /nfs/dbraw/zinc/09/19/74/635091974.db2.gz GGHMBFBIGKPBFY-QMMMGPOBSA-N 0 1 284.816 2.953 20 30 CFEDMN CC(C)C#CC(=O)NC[C@@H](c1cccs1)N1CCCC1 ZINC000854309247 635283890 /nfs/dbraw/zinc/28/38/90/635283890.db2.gz LTDVKWCTTZTDFN-AWEZNQCLSA-N 0 1 290.432 2.661 20 30 CFEDMN C=CCCCCCCCCNC(=O)C1=NC(=O)N(C)C1 ZINC000854473579 635312645 /nfs/dbraw/zinc/31/26/45/635312645.db2.gz BKDFVJXROLOEDG-UHFFFAOYSA-N 0 1 279.384 2.772 20 30 CFEDMN C=CCCONC(=O)C(C)(C)c1ccc(F)cc1 ZINC000856031516 635706448 /nfs/dbraw/zinc/70/64/48/635706448.db2.gz SGGLYIJOKCDJCZ-UHFFFAOYSA-N 0 1 251.301 2.727 20 30 CFEDMN C=CCCC(C)(C)NC(=O)Cc1n[nH]c2c1CCCC2 ZINC000856374421 635799226 /nfs/dbraw/zinc/79/92/26/635799226.db2.gz ZYSCPMXZMJGQMG-UHFFFAOYSA-N 0 1 275.396 2.692 20 30 CFEDMN CCCC[C@H](C(=O)[C@H](C#N)C(=O)NC(C)C)C(C)C ZINC000857010060 635904233 /nfs/dbraw/zinc/90/42/33/635904233.db2.gz CJUIVUVUQKWKKY-STQMWFEESA-N 0 1 266.385 2.682 20 30 CFEDMN Cc1csc(C(C#N)C(=O)C=Cc2ccco2)n1 ZINC000047358171 650232637 /nfs/dbraw/zinc/23/26/37/650232637.db2.gz DUGFCZUJGMTXRT-SGUJLRQBSA-N 0 1 258.302 2.934 20 30 CFEDMN CCCCCCCNC(=O)N(C)Cc1cnc[nH]1 ZINC000858114722 636131997 /nfs/dbraw/zinc/13/19/97/636131997.db2.gz RKYKJOKXQFCYLM-UHFFFAOYSA-N 0 1 252.362 2.522 20 30 CFEDMN C#CC[C@@H](CCOC)NCc1csc(C2CC2)n1 ZINC000858334072 636193990 /nfs/dbraw/zinc/19/39/90/636193990.db2.gz RHTCAMKSBAHXCD-LBPRGKRZSA-N 0 1 264.394 2.539 20 30 CFEDMN C=CCN(CC(=O)N[C@H](C)c1ccccc1)C(C)C ZINC000859080770 636445300 /nfs/dbraw/zinc/44/53/00/636445300.db2.gz QZEIOBXQWJRTRT-CQSZACIVSA-N 0 1 260.381 2.760 20 30 CFEDMN C#CCOCCNC(C)(C)c1nc2ccccc2s1 ZINC000859468298 636574444 /nfs/dbraw/zinc/57/44/44/636574444.db2.gz BZBJWGGQARWKGD-UHFFFAOYSA-N 0 1 274.389 2.771 20 30 CFEDMN Cc1ccc(COC(=O)[C@@H]2CCCc3[nH]ncc32)cc1C#N ZINC000859592639 636615384 /nfs/dbraw/zinc/61/53/84/636615384.db2.gz XHQUQXFPQFGNSM-CQSZACIVSA-N 0 1 295.342 2.753 20 30 CFEDMN C=CCN(CC=C)Cc1cc(=O)oc2cc(O)ccc12 ZINC000194356846 636775292 /nfs/dbraw/zinc/77/52/92/636775292.db2.gz SYSPWYCPGRAOJG-UHFFFAOYSA-N 0 1 271.316 2.673 20 30 CFEDMN N#Cc1ccc(O)c(NC(=O)[C@@H]2CCCC23CC3)c1 ZINC000860445380 636886717 /nfs/dbraw/zinc/88/67/17/636886717.db2.gz RRGALZSGLDNNNP-NSHDSACASA-N 0 1 256.305 2.783 20 30 CFEDMN CC[C@H](NC(=O)C(C#N)C(=O)C12CC(C1)C2)c1ccccc1 ZINC000860693330 636948188 /nfs/dbraw/zinc/94/81/88/636948188.db2.gz GBGIHBLUVCCYGO-PGMGQSNYSA-N 0 1 296.370 2.763 20 30 CFEDMN CCO[C@@H](C(=O)C(C#N)c1cnc2ccccc2n1)C(C)C ZINC000860701402 636949773 /nfs/dbraw/zinc/94/97/73/636949773.db2.gz ADYAGKHGQAFFND-SJKOYZFVSA-N 0 1 297.358 2.867 20 30 CFEDMN CCO[C@@H](C(=O)C(C#N)c1cnc2ccccc2n1)C(C)C ZINC000860701403 636950079 /nfs/dbraw/zinc/95/00/79/636950079.db2.gz ADYAGKHGQAFFND-YVEFUNNKSA-N 0 1 297.358 2.867 20 30 CFEDMN CCCCCCCNC(=O)CCSc1nnc(C)[nH]1 ZINC000862358271 637333030 /nfs/dbraw/zinc/33/30/30/637333030.db2.gz AGSFTDVQDCJEBZ-UHFFFAOYSA-N 0 1 284.429 2.682 20 30 CFEDMN C#C[C@H](CC)NCc1cc(F)c(N(C)C)cc1F ZINC000862364006 637336043 /nfs/dbraw/zinc/33/60/43/637336043.db2.gz YTRXOEQHIRYLCA-LLVKDONJSA-N 0 1 252.308 2.532 20 30 CFEDMN C#C[C@@H](NCc1cc(OCC)c(OC)cc1F)C(C)C ZINC000862363721 637336290 /nfs/dbraw/zinc/33/62/90/637336290.db2.gz SGXZTPKTJSVJRC-CQSZACIVSA-N 0 1 279.355 2.980 20 30 CFEDMN C#CC1CCN(Cc2cc(F)c(N(C)C)cc2F)CC1 ZINC000862400228 637357284 /nfs/dbraw/zinc/35/72/84/637357284.db2.gz QRYPJLXDITZPHW-UHFFFAOYSA-N 0 1 278.346 2.876 20 30 CFEDMN C#C[C@H]1CCC[N@@H+](Cc2c([O-])cccc2Br)C1 ZINC000862402583 637360992 /nfs/dbraw/zinc/36/09/92/637360992.db2.gz PPVCWNGFDDLCHO-NSHDSACASA-N 0 1 294.192 3.000 20 30 CFEDMN C#C[C@H]1CCC[N@H+](Cc2c([O-])cccc2Br)C1 ZINC000862402583 637360999 /nfs/dbraw/zinc/36/09/99/637360999.db2.gz PPVCWNGFDDLCHO-NSHDSACASA-N 0 1 294.192 3.000 20 30 CFEDMN C=CC[C@H]1CCN(Cc2cn(C)nc2Br)C1 ZINC000862441502 637380146 /nfs/dbraw/zinc/38/01/46/637380146.db2.gz SAUGPJOWELNTEN-JTQLQIEISA-N 0 1 284.201 2.581 20 30 CFEDMN C#CC[C@@H]1CCN(C(=O)c2cc(-c3ccc(F)cc3)[nH]n2)C1 ZINC000862562277 637429074 /nfs/dbraw/zinc/42/90/74/637429074.db2.gz WYJNQPIJPCERTO-GFCCVEGCSA-N 0 1 297.333 2.701 20 30 CFEDMN Cc1cnccc1NN=C1COc2cc(C)c(C)cc21 ZINC000863157706 637571005 /nfs/dbraw/zinc/57/10/05/637571005.db2.gz GJLNCXYXSOJSRU-UHFFFAOYSA-N 0 1 267.332 2.637 20 30 CFEDMN COc1cc(C)c(C(C)=NNc2ccncc2C)cc1OC ZINC000863157228 637571101 /nfs/dbraw/zinc/57/11/01/637571101.db2.gz JLAUJHIDFHSVMV-UHFFFAOYSA-N 0 1 299.374 2.974 20 30 CFEDMN Cc1cnccc1NN=Cc1cnc(C2CC2)s1 ZINC000863157374 637571301 /nfs/dbraw/zinc/57/13/01/637571301.db2.gz LXQAFKXJCDIWJD-UHFFFAOYSA-N 0 1 258.350 2.592 20 30 CFEDMN CC(=NNc1ccncc1C)c1ccc(C(C)(C)O)cc1 ZINC000863157753 637571543 /nfs/dbraw/zinc/57/15/43/637571543.db2.gz HEPSFLJPLUOLJG-UHFFFAOYSA-N 0 1 283.375 2.875 20 30 CFEDMN CC(=[NH+][N-]c1ccncc1C)c1ccccc1N(C)C ZINC000863157610 637571958 /nfs/dbraw/zinc/57/19/58/637571958.db2.gz QDMQXUQPJKMCIM-UHFFFAOYSA-N 0 1 268.364 2.714 20 30 CFEDMN C[C@@H]1CC(N=Nc2cccc(F)c2Cl)c2ncnn21 ZINC000863158714 637573178 /nfs/dbraw/zinc/57/31/78/637573178.db2.gz MYWXCUJRRIALEY-SSDOTTSWSA-N 0 1 279.706 2.852 20 30 CFEDMN COc1cc(C)c(CN=Nc2cccc(C)n2)c(C)n1 ZINC000863159736 637574512 /nfs/dbraw/zinc/57/45/12/637574512.db2.gz CUTXWRZMZIELCQ-UHFFFAOYSA-N 0 1 270.336 2.856 20 30 CFEDMN CC(=Nn1cccn1)c1ccc([O-])c(C[NH+]2CCCCC2)c1 ZINC000863165725 637577839 /nfs/dbraw/zinc/57/78/39/637577839.db2.gz MEXUUBDVFLOEMK-UHFFFAOYSA-N 0 1 298.390 2.847 20 30 CFEDMN Cn1nc2c(c1/C=C/C(=O)c1ccc(O)cc1O)CCCC2 ZINC000865221249 638227434 /nfs/dbraw/zinc/22/74/34/638227434.db2.gz WKODRNLAMVQCRQ-CMDGGOBGSA-N 0 1 298.342 2.606 20 30 CFEDMN N#Cc1ccc(CNCc2ccnn2CC2CCC2)cc1 ZINC000865415166 638321791 /nfs/dbraw/zinc/32/17/91/638321791.db2.gz HASDXWZZLLSLPN-UHFFFAOYSA-N 0 1 280.375 2.845 20 30 CFEDMN CC(C)N1CCN(c2cc(C(F)(F)F)cc(C#N)n2)CC1 ZINC000865435025 638332421 /nfs/dbraw/zinc/33/24/21/638332421.db2.gz XJYAMKIWBGOMPA-UHFFFAOYSA-N 0 1 298.312 2.502 20 30 CFEDMN CCc1cc(CNc2cc(C(F)(F)F)cc(C#N)n2)n[nH]1 ZINC000865536590 638404308 /nfs/dbraw/zinc/40/43/08/638404308.db2.gz DNCBAKRQSQAXKJ-UHFFFAOYSA-N 0 1 295.268 2.870 20 30 CFEDMN Cc1ccncc1CNCc1cc(C#N)ccc1N(C)C ZINC000865589320 638445049 /nfs/dbraw/zinc/44/50/49/638445049.db2.gz FIZSKFGBRZJTLB-UHFFFAOYSA-N 0 1 280.375 2.618 20 30 CFEDMN C#CC[C@@H](COC)NCc1ccc(OC(F)F)cc1F ZINC000865646098 638485261 /nfs/dbraw/zinc/48/52/61/638485261.db2.gz GAPZUSWURNOERY-NSHDSACASA-N 0 1 287.281 2.555 20 30 CFEDMN CC(C)(NCc1ccccc1C#N)[C@H]1CCCCO1 ZINC000865745431 638548722 /nfs/dbraw/zinc/54/87/22/638548722.db2.gz HUULWAHULLHMOK-OAHLLOKOSA-N 0 1 258.365 2.996 20 30 CFEDMN Cc1nc(CN[C@H]2Cc3ccc(C#N)cc3C2)cs1 ZINC000865848061 638611082 /nfs/dbraw/zinc/61/10/82/638611082.db2.gz KOTXTZQYZMJLNQ-AWEZNQCLSA-N 0 1 269.373 2.580 20 30 CFEDMN C=CCCOCC[NH2+]Cc1cc(Cl)ccc1[O-] ZINC000120837745 638674818 /nfs/dbraw/zinc/67/48/18/638674818.db2.gz DFOQABBMOPSLDR-UHFFFAOYSA-N 0 1 255.745 2.728 20 30 CFEDMN Cc1cc(C[C@H](C)[NH2+][C@@H](C)c2cccc(C#N)c2[O-])n[nH]1 ZINC000866307224 638793992 /nfs/dbraw/zinc/79/39/92/638793992.db2.gz UWSTWRKIHVGKRQ-JQWIXIFHSA-N 0 1 284.363 2.577 20 30 CFEDMN Cn1cc(C(F)F)c(CN[C@H]2CCC[C@@H](C#N)C2)n1 ZINC000866565746 638846413 /nfs/dbraw/zinc/84/64/13/638846413.db2.gz QCWUWUIQYOBDST-ZJUUUORDSA-N 0 1 268.311 2.530 20 30 CFEDMN C#CCOc1ccc([C@H](C)N[C@H](C)c2ccnn2C)cc1 ZINC000866612443 638854463 /nfs/dbraw/zinc/85/44/63/638854463.db2.gz IYWPLJLDUWATOJ-UONOGXRCSA-N 0 1 283.375 2.844 20 30 CFEDMN N#C[C@H]1CC[C@@H](NCc2noc3cc(F)ccc32)C1 ZINC000866614002 638854688 /nfs/dbraw/zinc/85/46/88/638854688.db2.gz WNODMGXIVGVKKY-GXSJLCMTSA-N 0 1 259.284 2.749 20 30 CFEDMN CCCCN(C(=O)[C@@H]1NCCc2cc(C#N)ccc21)C1CC1 ZINC000867927824 638905989 /nfs/dbraw/zinc/90/59/89/638905989.db2.gz PKUNAFLQAZEKFF-QGZVFWFLSA-N 0 1 297.402 2.536 20 30 CFEDMN CC[C@H](C)CN(CC)C(=O)[C@H]1NCCc2cc(C#N)ccc21 ZINC000867942488 638907479 /nfs/dbraw/zinc/90/74/79/638907479.db2.gz SKJSBIAVKUOUPN-GUYCJALGSA-N 0 1 299.418 2.640 20 30 CFEDMN C[C@H]1CCCCCN1C(=O)[C@@H]1NCCc2cc(C#N)ccc21 ZINC000867948336 638908281 /nfs/dbraw/zinc/90/82/81/638908281.db2.gz SVEILWCKSVTDTI-SUMWQHHRSA-N 0 1 297.402 2.536 20 30 CFEDMN CC(C)CC[C@H](C)NC(=O)[C@@H]1NCCc2cc(C#N)ccc21 ZINC000867952909 638908410 /nfs/dbraw/zinc/90/84/10/638908410.db2.gz IPCHTXVHSVRHQS-SUMWQHHRSA-N 0 1 299.418 2.686 20 30 CFEDMN CC(C)[C@]1(C)C[C@@H]1C(=O)NOc1cccc(C#N)c1 ZINC000870691194 639773287 /nfs/dbraw/zinc/77/32/87/639773287.db2.gz GWEOOJNBXLDAPV-HIFRSBDPSA-N 0 1 258.321 2.650 20 30 CFEDMN C=C(Cl)CSc1nc(O)cc(=O)n1C1CCCC1 ZINC000192708430 650587221 /nfs/dbraw/zinc/58/72/21/650587221.db2.gz MKXFUKLAMJVPBF-UHFFFAOYSA-N 0 1 286.784 2.909 20 30 CFEDMN C[C@H](CC(=O)Nc1nc2ccc(C#N)cc2[nH]1)C1CC1 ZINC000871070273 641184801 /nfs/dbraw/zinc/18/48/01/641184801.db2.gz ITCSGPJXYNKLMG-SECBINFHSA-N 0 1 268.320 2.809 20 30 CFEDMN CO[C@H]1CCCC[C@H]1C(=O)Nc1nc2ccc(C#N)cc2[nH]1 ZINC000871071786 641184865 /nfs/dbraw/zinc/18/48/65/641184865.db2.gz FENCRWSRPOOWRC-RISCZKNCSA-N 0 1 298.346 2.578 20 30 CFEDMN N#Cc1ccc2nc(NC(=O)CC[C@@H]3CCCCO3)[nH]c2c1 ZINC000871070298 641184930 /nfs/dbraw/zinc/18/49/30/641184930.db2.gz JFLKSSRQQFOEKB-LBPRGKRZSA-N 0 1 298.346 2.722 20 30 CFEDMN COC1CCC(C(=O)Nc2nc3ccc(C#N)cc3[nH]2)CC1 ZINC000871071774 641185069 /nfs/dbraw/zinc/18/50/69/641185069.db2.gz DYQZGDDRILQPCG-UHFFFAOYSA-N 0 1 298.346 2.578 20 30 CFEDMN N#Cc1ccc2nc(NC(=O)CCC3CCC3)[nH]c2c1 ZINC000871071161 641185106 /nfs/dbraw/zinc/18/51/06/641185106.db2.gz ANCAHMLBTZBYFL-UHFFFAOYSA-N 0 1 268.320 2.953 20 30 CFEDMN N#Cc1ccc2nc(NC(=O)C3CC4(CSC4)C3)[nH]c2c1 ZINC000871072823 641186191 /nfs/dbraw/zinc/18/61/91/641186191.db2.gz WYLWBWOGWTVNTE-UHFFFAOYSA-N 0 1 298.371 2.516 20 30 CFEDMN CO[C@@H]1CCC[C@@H](C(=O)Nc2nc3ccc(C#N)cc3[nH]2)C1 ZINC000871073053 641186516 /nfs/dbraw/zinc/18/65/16/641186516.db2.gz QUOFQIDSHNNILE-VXGBXAGGSA-N 0 1 298.346 2.578 20 30 CFEDMN N#Cc1ccc2nc(NC(=O)[C@H]3CCCC34CC4)[nH]c2c1 ZINC000871073019 641186878 /nfs/dbraw/zinc/18/68/78/641186878.db2.gz ZSSOPQPLKBGEGK-LLVKDONJSA-N 0 1 280.331 2.953 20 30 CFEDMN CCC[C@H](OCC)C(=O)Nc1nc2ccc(C#N)cc2[nH]1 ZINC000871072264 641187062 /nfs/dbraw/zinc/18/70/62/641187062.db2.gz PMKDRXRJIVDJBM-ZDUSSCGKSA-N 0 1 286.335 2.578 20 30 CFEDMN N#Cc1ccc2nc(NC(=O)CCC(F)(F)F)[nH]c2c1 ZINC000871073282 641188251 /nfs/dbraw/zinc/18/82/51/641188251.db2.gz WITJFSXFXJWFKD-UHFFFAOYSA-N 0 1 282.225 2.716 20 30 CFEDMN C#CCN1CCC(N(C)C(=O)C2(C)C(C)(C)C2(C)C)CC1 ZINC001006479545 650686934 /nfs/dbraw/zinc/68/69/34/650686934.db2.gz ZNMIKWLGMKQTEL-UHFFFAOYSA-N 0 1 290.451 2.615 20 30 CFEDMN C[C@H]1C(N=Nc2ncc(Cl)cc2Cl)CCN1C ZINC000872332592 641758309 /nfs/dbraw/zinc/75/83/09/641758309.db2.gz PTLNBFOWNKMTPB-ZETCQYMHSA-N 0 1 273.167 2.880 20 30 CFEDMN C(CN1CCCCC1)NN=C1CCOC2(CCCC2)C1 ZINC000872343598 641760502 /nfs/dbraw/zinc/76/05/02/641760502.db2.gz HWUHNJLTTAFFKG-UHFFFAOYSA-N 0 1 279.428 2.541 20 30 CFEDMN C[C@H]1C(N=Nc2cc(F)c(F)c(F)c2)CCN1C ZINC000872355566 641764951 /nfs/dbraw/zinc/76/49/51/641764951.db2.gz YAWGIBIEELIJAF-ZETCQYMHSA-N 0 1 257.259 2.596 20 30 CFEDMN Cc1scc(C=NNC2=N[C@H]3CCCC[C@H]3N2)c1C ZINC000872359764 641767149 /nfs/dbraw/zinc/76/71/49/641767149.db2.gz OQVGXDCGFAWWFX-BETUJISGSA-N 0 1 276.409 2.559 20 30 CFEDMN C=C(Br)Cn1c(C)nc2c1CCCC2 ZINC000124065246 641773730 /nfs/dbraw/zinc/77/37/30/641773730.db2.gz MCTTYOVEJMKOQL-UHFFFAOYSA-N 0 1 255.159 2.979 20 30 CFEDMN C[C@@H]1C(N=Nc2cc(C(F)(F)F)ccn2)CCN1C ZINC000872378916 641782016 /nfs/dbraw/zinc/78/20/16/641782016.db2.gz KUGBWIBMZBWBQY-MRVPVSSYSA-N 0 1 272.274 2.592 20 30 CFEDMN Cn1ncc2c1CCCC2=NNc1nc2ccncc2s1 ZINC000872414702 641801255 /nfs/dbraw/zinc/80/12/55/641801255.db2.gz ZBELQVKIGZLYJP-UHFFFAOYSA-N 0 1 298.375 2.577 20 30 CFEDMN CCC(=[NH+][N-]c1cc(C)nc(N)n1)c1ccc(N(C)C)cc1 ZINC000872420320 641805681 /nfs/dbraw/zinc/80/56/81/641805681.db2.gz DHKZANZCSUBMMA-UHFFFAOYSA-N 0 1 298.394 2.659 20 30 CFEDMN Cc1cc(=NN=Cc2ccccc2C(C)C)nc(N)[nH]1 ZINC000872421758 641806746 /nfs/dbraw/zinc/80/67/46/641806746.db2.gz XALQGULASCJDQR-UHFFFAOYSA-N 0 1 269.352 2.937 20 30 CFEDMN CC(=NN=c1cc(C)[nH]c(N)n1)c1ccc2c(c1)CCCO2 ZINC000872421440 641806830 /nfs/dbraw/zinc/80/68/30/641806830.db2.gz KIXUALTZMBMEQT-UHFFFAOYSA-N 0 1 297.362 2.528 20 30 CFEDMN CC(C)c1cc([C@H]2CCCN(c3cc(C#N)cnn3)C2)[nH]n1 ZINC000872649284 641886563 /nfs/dbraw/zinc/88/65/63/641886563.db2.gz WGFPWSMEPPKMFF-ZDUSSCGKSA-N 0 1 296.378 2.579 20 30 CFEDMN COc1cc(C)cc(CN(C)[C@H]2CCC[C@@H]2C#N)c1O ZINC000872682359 641894887 /nfs/dbraw/zinc/89/48/87/641894887.db2.gz PAJYFBGTEKPWEU-OCCSQVGLSA-N 0 1 274.364 2.833 20 30 CFEDMN C=CC[C@H](NCc1ccc(C(=O)OC)n1C)c1ccncc1 ZINC000873050101 641995839 /nfs/dbraw/zinc/99/58/39/641995839.db2.gz KEMDHUUFEJDSNG-HNNXBMFYSA-N 0 1 299.374 2.614 20 30 CFEDMN CN1Cc2ccccc2[C@@H]1CNCc1cccc(F)c1C#N ZINC000873152252 642032305 /nfs/dbraw/zinc/03/23/05/642032305.db2.gz HWBFZPKXMKOLFS-SFHVURJKSA-N 0 1 295.361 2.974 20 30 CFEDMN COc1cc(-c2nc3ccc(C#N)cc3[nH]2)cc(O)c1O ZINC000194102318 650717004 /nfs/dbraw/zinc/71/70/04/650717004.db2.gz AMRCZVFBGSXCAE-UHFFFAOYSA-N 0 1 281.271 2.521 20 30 CFEDMN C#CCN(Cc1ccc(F)cc1)C[C@H](O)CCC=C ZINC000124446547 642093331 /nfs/dbraw/zinc/09/33/31/642093331.db2.gz HIFLSHDKMBZRQS-MRXNPFEDSA-N 0 1 261.340 2.588 20 30 CFEDMN CCCCCNC(=O)C(C#N)C(=O)[C@@H](CC)CCC ZINC000873497116 642223269 /nfs/dbraw/zinc/22/32/69/642223269.db2.gz HOUAVTKBAHLFDA-STQMWFEESA-N 0 1 266.385 2.828 20 30 CFEDMN CN(CC(=O)Nc1cccc(OCC#N)c1)CC(C)(C)C ZINC000874069851 642333748 /nfs/dbraw/zinc/33/37/48/642333748.db2.gz LNQHWQRAIKRCQV-UHFFFAOYSA-N 0 1 289.379 2.505 20 30 CFEDMN CN(C)c1ccc(C#N)cc1CN(C)Cc1cccc(O)c1 ZINC000876511413 642900046 /nfs/dbraw/zinc/90/00/46/642900046.db2.gz HSTDIYVBRFAXQM-UHFFFAOYSA-N 0 1 295.386 2.962 20 30 CFEDMN C#CCN(CC)Cc1ccc2ccc(F)c(F)c2n1 ZINC000876640074 642954197 /nfs/dbraw/zinc/95/41/97/642954197.db2.gz YEWCJVOJRDTTPD-UHFFFAOYSA-N 0 1 260.287 2.968 20 30 CFEDMN C=C(Cl)CNC(=O)[C@@H](N)c1ccc(C(F)(F)F)cc1 ZINC000876669250 642965606 /nfs/dbraw/zinc/96/56/06/642965606.db2.gz GRNNXCBBYUZBDN-JTQLQIEISA-N 0 1 292.688 2.574 20 30 CFEDMN N#CCC[N@H+](Cc1ccc(F)c(F)c1[O-])CC1CC1 ZINC000876691120 642975725 /nfs/dbraw/zinc/97/57/25/642975725.db2.gz BEPFUPIZWOONCV-UHFFFAOYSA-N 0 1 266.291 2.796 20 30 CFEDMN N#Cc1cnc(Cl)c(CN2CCC[C@H]3COCC[C@@H]32)c1 ZINC000876802888 643014908 /nfs/dbraw/zinc/01/49/08/643014908.db2.gz SSFATQBEXXMQIC-JSGCOSHPSA-N 0 1 291.782 2.608 20 30 CFEDMN N#Cc1cnc(Cl)c(CNC[C@@H](O)C2CCCCC2)c1 ZINC000877005790 643101424 /nfs/dbraw/zinc/10/14/24/643101424.db2.gz VTVMVAILXSHNCX-CQSZACIVSA-N 0 1 293.798 2.637 20 30 CFEDMN CO[C@H]1C[C@H](NCc2cc(C#N)cnc2Cl)C1(C)C ZINC000877076876 643138405 /nfs/dbraw/zinc/13/84/05/643138405.db2.gz SKFNOUCFKRWENP-RYUDHWBXSA-N 0 1 279.771 2.510 20 30 CFEDMN C[C@H](C#N)Oc1ccc(CN2C[C@H](C)OC(C)(C)C2)cc1 ZINC000245571740 650824338 /nfs/dbraw/zinc/82/43/38/650824338.db2.gz XWSLWEIXHDBWDX-KGLIPLIRSA-N 0 1 288.391 2.977 20 30 CFEDMN CC1(C)CC[C@H](CNCc2cc(C#N)cnc2Cl)O1 ZINC000877439494 643272687 /nfs/dbraw/zinc/27/26/87/643272687.db2.gz MLAMRCBFTDUDPK-GFCCVEGCSA-N 0 1 279.771 2.654 20 30 CFEDMN CC[C@@](C)(CNCc1cc(C#N)cnc1Cl)OC ZINC000877564768 643364300 /nfs/dbraw/zinc/36/43/00/643364300.db2.gz LAFLTVMFZRNWQP-ZDUSSCGKSA-N 0 1 267.760 2.511 20 30 CFEDMN CO[C@H]1C[C@@H](NCc2cc(C#N)cnc2Cl)C12CCC2 ZINC000877584428 643380127 /nfs/dbraw/zinc/38/01/27/643380127.db2.gz FPSJXLFLZPWBKL-OLZOCXBDSA-N 0 1 291.782 2.654 20 30 CFEDMN CC(C)(C)Oc1cccc(CN2CC[C@@](O)(CC#N)C2)c1 ZINC000877605320 643393625 /nfs/dbraw/zinc/39/36/25/643393625.db2.gz AHNNYHXNCGOFBN-KRWDZBQOSA-N 0 1 288.391 2.714 20 30 CFEDMN CCCOc1ccc(CN2CC[C@@](O)(CC#N)C2)cc1C ZINC000877606261 643393948 /nfs/dbraw/zinc/39/39/48/643393948.db2.gz VHZFBFDZAAUJEJ-KRWDZBQOSA-N 0 1 288.391 2.634 20 30 CFEDMN N#Cc1cccc(CN2CCC[C@]3(CC3(F)F)C2)n1 ZINC000877615257 643400701 /nfs/dbraw/zinc/40/07/01/643400701.db2.gz SRFHFYKREADIAU-ZDUSSCGKSA-N 0 1 263.291 2.574 20 30 CFEDMN C#C[C@@H]1CCC[N@H+](Cc2ccc(F)c(F)c2[O-])C1 ZINC000877616564 643402601 /nfs/dbraw/zinc/40/26/01/643402601.db2.gz DXHTZQGBJDPSSX-SNVBAGLBSA-N 0 1 251.276 2.516 20 30 CFEDMN C#C[C@@H]1CCC[N@H+](Cc2ccccc2OCCCCO)C1 ZINC000877617516 643403775 /nfs/dbraw/zinc/40/37/75/643403775.db2.gz QBUSWPLTYAVPIB-MRXNPFEDSA-N 0 1 287.403 2.683 20 30 CFEDMN C=CC[C@H]1CCN(Cc2cc(OC)cnc2F)C1 ZINC000877649923 643430573 /nfs/dbraw/zinc/43/05/73/643430573.db2.gz LOJZFKVSUXSTAZ-NSHDSACASA-N 0 1 250.317 2.627 20 30 CFEDMN C#CCCCCCC[NH2+]C(C)(C)c1nc(C)cc(=O)[n-]1 ZINC000877648535 643430933 /nfs/dbraw/zinc/43/09/33/643430933.db2.gz PMWVLLRBTFQKNK-UHFFFAOYSA-N 0 1 275.396 2.899 20 30 CFEDMN Cc1ncc(CN(C)CCc2cccc(C#N)c2)o1 ZINC000877704175 643470321 /nfs/dbraw/zinc/47/03/21/643470321.db2.gz FBSFKQZGMMCSJK-UHFFFAOYSA-N 0 1 255.321 2.529 20 30 CFEDMN N#Cc1cnc(Cl)c(CNC[C@@H]2C[C@H]3CCC[C@H]3O2)c1 ZINC000877806115 643568267 /nfs/dbraw/zinc/56/82/67/643568267.db2.gz NCQMVNQTRZYZGC-KWCYVHTRSA-N 0 1 291.782 2.654 20 30 CFEDMN CC(C)CN(CCC#N)C[C@@H]1CC2(CCC2)CO1 ZINC000878120796 643747538 /nfs/dbraw/zinc/74/75/38/643747538.db2.gz BPSFSVKIQOJJOC-AWEZNQCLSA-N 0 1 250.386 2.817 20 30 CFEDMN CN(C(=O)OC(C)(C)C)[C@@H]1CCN(CC2(CC#N)CC2)C1 ZINC000878169543 643774884 /nfs/dbraw/zinc/77/48/84/643774884.db2.gz QNIFVVNDPFPODU-CYBMUJFWSA-N 0 1 293.411 2.621 20 30 CFEDMN C#CCCCCC[NH2+]C(C)(C)c1nc(C)cc(=O)[n-]1 ZINC000878687884 643991355 /nfs/dbraw/zinc/99/13/55/643991355.db2.gz WPCCXWOGCUMANF-UHFFFAOYSA-N 0 1 261.369 2.509 20 30 CFEDMN COc1ccc(N(C)CC[N@@H+](C)CC2(CC#N)CC2)cc1 ZINC000878804991 644033318 /nfs/dbraw/zinc/03/33/18/644033318.db2.gz FLHHKNYTVADBOD-UHFFFAOYSA-N 0 1 287.407 2.757 20 30 CFEDMN C[C@H](CC#N)NC[C@@H](O)CO[C@H](C)c1ccc(Cl)cc1 ZINC000878817426 644037082 /nfs/dbraw/zinc/03/70/82/644037082.db2.gz SWFIIEGSKQPEAR-LALPHHSUSA-N 0 1 296.798 2.670 20 30 CFEDMN CCN(C[C@H](C)C#N)C[C@@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC000246879559 650886944 /nfs/dbraw/zinc/88/69/44/650886944.db2.gz BNTFIZFUAHFHCT-KGLIPLIRSA-N 0 1 295.427 2.725 20 30 CFEDMN N#Cc1ccccc1NC1CCN(CCOC(F)F)CC1 ZINC000878961734 644090232 /nfs/dbraw/zinc/09/02/32/644090232.db2.gz FSIDUKHBQNJQLT-UHFFFAOYSA-N 0 1 295.333 2.674 20 30 CFEDMN C=C(CC)CN1CCc2cccc(NC(C)=O)c2C1 ZINC000879237027 644184346 /nfs/dbraw/zinc/18/43/46/644184346.db2.gz CWGARJWOHNYBLE-UHFFFAOYSA-N 0 1 258.365 2.969 20 30 CFEDMN N#Cc1ccc(C[N@@H+]2CCC[C@H]2[C@H](O)c2ccccc2)nc1 ZINC000879241623 644187360 /nfs/dbraw/zinc/18/73/60/644187360.db2.gz AMJFHNGUMWKNLH-ZWKOTPCHSA-N 0 1 293.370 2.651 20 30 CFEDMN CN(CC[C@@H](O)c1ccccc1)[C@H]1CCC[C@@H]1C#N ZINC000879308565 644217235 /nfs/dbraw/zinc/21/72/35/644217235.db2.gz CRSMHUVYUCEKJL-OWCLPIDISA-N 0 1 258.365 2.734 20 30 CFEDMN CCC#C[C@@H](C)N1Cc2cccnc2N2CCC[C@H]2C1 ZINC000879691464 644383754 /nfs/dbraw/zinc/38/37/54/644383754.db2.gz ZMPNZBJRGWWKLW-ZBFHGGJFSA-N 0 1 269.392 2.668 20 30 CFEDMN C=CC(C)(C)CC(=O)NCCN(CC)CCC(F)(F)F ZINC000879752216 644413203 /nfs/dbraw/zinc/41/32/03/644413203.db2.gz NVNYRAMHEJRCEF-UHFFFAOYSA-N 0 1 294.361 2.979 20 30 CFEDMN C=C[C@@H]1CCCCN1C(=O)[C@H]1c2cn[nH]c2CC[C@H]1C ZINC000879801848 644430582 /nfs/dbraw/zinc/43/05/82/644430582.db2.gz VPOCQOCKXBPIIA-LALPHHSUSA-N 0 1 273.380 2.643 20 30 CFEDMN C=C[C@@H]1CCCCN1C(=O)[C@@H]1c2cn[nH]c2CC[C@@H]1C ZINC000879801850 644431386 /nfs/dbraw/zinc/43/13/86/644431386.db2.gz VPOCQOCKXBPIIA-ZOWXZIJZSA-N 0 1 273.380 2.643 20 30 CFEDMN C=CC[N@@H+](CC(=O)[O-])Cc1ccc(Br)c(C)c1 ZINC000092469245 650920612 /nfs/dbraw/zinc/92/06/12/650920612.db2.gz YJGJSOFGLNPODU-UHFFFAOYSA-N 0 1 298.180 2.830 20 30 CFEDMN N#Cc1ccc(O)c(NC(=O)/C=C/c2ccc(O)cc2)c1 ZINC000128120407 644476678 /nfs/dbraw/zinc/47/66/78/644476678.db2.gz MDYYCGWAPFIDKB-XBXARRHUSA-N 0 1 280.283 2.621 20 30 CFEDMN CCC#C[C@@H](C)N1CCc2ccc(NC(C)=O)cc2C1 ZINC000880031653 644508220 /nfs/dbraw/zinc/50/82/20/644508220.db2.gz SGTPNPWRIXWUOG-CYBMUJFWSA-N 0 1 270.376 2.805 20 30 CFEDMN CCCCCCCC(=O)NC[C@H]1CN(CC(C)C)CCO1 ZINC000248248128 650928212 /nfs/dbraw/zinc/92/82/12/650928212.db2.gz RFWZCPXMFXYETC-INIZCTEOSA-N 0 1 298.471 2.820 20 30 CFEDMN C=CCN1CC[C@H](c2nc(C)c(C(=O)OCC)s2)C1 ZINC000880324066 644655659 /nfs/dbraw/zinc/65/56/59/644655659.db2.gz YOKFUVZCFRZRRJ-NSHDSACASA-N 0 1 280.393 2.604 20 30 CFEDMN N#Cc1ccc(CN2CCC3(CCCCO3)CC2)o1 ZINC000880457950 644717695 /nfs/dbraw/zinc/71/76/95/644717695.db2.gz CCQCKPZCSFZOFJ-UHFFFAOYSA-N 0 1 260.337 2.686 20 30 CFEDMN C=CCCCCCNC(=O)[C@H]1c2cn[nH]c2CC[C@@H]1C ZINC000880618747 644789561 /nfs/dbraw/zinc/78/95/61/644789561.db2.gz YCHJWBTXVZYUCR-SWLSCSKDSA-N 0 1 275.396 2.938 20 30 CFEDMN CCCCCCCC[C@@H](C)C(=O)NCc1n[nH]c(=O)n1C ZINC000880649567 644797247 /nfs/dbraw/zinc/79/72/47/644797247.db2.gz CUOKPCJLTQQAAX-GFCCVEGCSA-N 0 1 296.415 2.524 20 30 CFEDMN C=CCCSCCNC(=O)[C@@H]1c2cn[nH]c2CC[C@H]1C ZINC000880669019 644801691 /nfs/dbraw/zinc/80/16/91/644801691.db2.gz BHFWQJDHTMOHMI-RISCZKNCSA-N 0 1 293.436 2.501 20 30 CFEDMN CN(Cc1cnc[nH]1)C(=O)Nc1ccc(C2CC2)c(C#N)c1 ZINC000881120916 644910294 /nfs/dbraw/zinc/91/02/94/644910294.db2.gz VOZXAVBXHDUNER-UHFFFAOYSA-N 0 1 295.346 2.823 20 30 CFEDMN C=C(C)CN1CCC[C@H](NC(=O)c2ccsc2C)C1 ZINC001007278093 650988939 /nfs/dbraw/zinc/98/89/39/650988939.db2.gz BGXXCJVALULMGA-ZDUSSCGKSA-N 0 1 278.421 2.827 20 30 CFEDMN C=CCN1C(=O)N=NC1SC[C@H]1CCCC(C)(C)O1 ZINC000882137981 645216310 /nfs/dbraw/zinc/21/63/10/645216310.db2.gz ARRXHYJFUIPECQ-SNVBAGLBSA-N 0 1 283.397 2.610 20 30 CFEDMN C=CCCC[C@@H](NC(=O)c1ncn[nH]1)c1ccccc1 ZINC000882239177 645251424 /nfs/dbraw/zinc/25/14/24/645251424.db2.gz RLBHSNIGXKSRCX-CYBMUJFWSA-N 0 1 270.336 2.632 20 30 CFEDMN C=CCCC[C@@H](NC(=O)c1nc[nH]n1)c1ccccc1 ZINC000882239177 645251427 /nfs/dbraw/zinc/25/14/27/645251427.db2.gz RLBHSNIGXKSRCX-CYBMUJFWSA-N 0 1 270.336 2.632 20 30 CFEDMN COc1ccc(C(=O)/C=C/c2cncs2)c(O)c1 ZINC000130114308 645454397 /nfs/dbraw/zinc/45/43/97/645454397.db2.gz CPTPRXQQNLTSIS-HWKANZROSA-N 0 1 261.302 2.753 20 30 CFEDMN C#Cc1ccc(CNCc2cnc(CCOC)s2)cc1 ZINC000883132369 645618595 /nfs/dbraw/zinc/61/85/95/645618595.db2.gz PCQQMGMVISOYJM-UHFFFAOYSA-N 0 1 286.400 2.603 20 30 CFEDMN C=CCC[C@@H](NCc1cscn1)[C@@H]1CCCO1 ZINC000883182554 645645635 /nfs/dbraw/zinc/64/56/35/645645635.db2.gz FSDMJFGPRJMYSV-OLZOCXBDSA-N 0 1 252.383 2.747 20 30 CFEDMN C=CCC[C@H](NCc1ncnn1C(C)(C)C)[C@H]1CCCO1 ZINC000883220193 645672918 /nfs/dbraw/zinc/67/29/18/645672918.db2.gz GBPXLKLYSBITRR-UONOGXRCSA-N 0 1 292.427 2.637 20 30 CFEDMN C=CCC[C@H](NCc1nccn1CC)[C@@H]1CCCO1 ZINC000883226099 645676356 /nfs/dbraw/zinc/67/63/56/645676356.db2.gz SEZBSYGEZITEDC-KBPBESRZSA-N 0 1 263.385 2.506 20 30 CFEDMN C#CC1(NCc2ccnn2CC2CCC2)CCCC1 ZINC000883361644 645768363 /nfs/dbraw/zinc/76/83/63/645768363.db2.gz IHDMWYYRWZCVJL-UHFFFAOYSA-N 0 1 257.381 2.719 20 30 CFEDMN C=CCC[C@@H](N[C@H]1CC(=O)N(CC2CC2)C1)c1ccco1 ZINC000883395016 645793147 /nfs/dbraw/zinc/79/31/47/645793147.db2.gz LNPIYPMETLHYAH-LSDHHAIUSA-N 0 1 288.391 2.887 20 30 CFEDMN C=CCN(Cc1cccs1)C(=O)NC[C@@H]1CCN1CC ZINC000883893981 646027627 /nfs/dbraw/zinc/02/76/27/646027627.db2.gz VTVMMQIBSVFMKY-ZDUSSCGKSA-N 0 1 293.436 2.540 20 30 CFEDMN C[C@H](NCc1ccc(C#N)cc1)c1ccc(F)cn1 ZINC000133934862 646257029 /nfs/dbraw/zinc/25/70/29/646257029.db2.gz WPHJJXXRANNVPH-NSHDSACASA-N 0 1 255.296 2.943 20 30 CFEDMN Cc1n[nH]c(CN=Nc2ccc(C(F)(F)F)cn2)c1C ZINC000884379072 646332893 /nfs/dbraw/zinc/33/28/93/646332893.db2.gz MZUAJJRCZDSCPN-UHFFFAOYSA-N 0 1 283.257 2.886 20 30 CFEDMN Cc1[nH]nc(CN=Nc2ccc(C(F)(F)F)cn2)c1C ZINC000884379072 646332897 /nfs/dbraw/zinc/33/28/97/646332897.db2.gz MZUAJJRCZDSCPN-UHFFFAOYSA-N 0 1 283.257 2.886 20 30 CFEDMN C=CC[C@@H]1CCN(C(=O)[C@H](N)Cc2cc3ccccc3o2)C1 ZINC000884429517 646352237 /nfs/dbraw/zinc/35/22/37/646352237.db2.gz LORWIJUTTQVGTD-CZUORRHYSA-N 0 1 298.386 2.727 20 30 CFEDMN Cc1cc(N)cc(C)c1C(C)N=Nc1ccnc(N(C)C)n1 ZINC000884431845 646353791 /nfs/dbraw/zinc/35/37/91/646353791.db2.gz JQFKAMSRMXBIFH-UHFFFAOYSA-N 0 1 298.394 2.578 20 30 CFEDMN Fc1cccc(CC=CN=NC2=N[C@@H]3CCCC[C@H]3N2)c1 ZINC000884442914 646360032 /nfs/dbraw/zinc/36/00/32/646360032.db2.gz ULFKWDSKUALRHG-MEAMROTESA-N 0 1 286.354 2.685 20 30 CFEDMN C#CCN1CCC[C@@H](Nc2cc(C(F)(F)F)ccn2)C1 ZINC000884611766 646486339 /nfs/dbraw/zinc/48/63/39/646486339.db2.gz UDWHMKFFYQWXPE-GFCCVEGCSA-N 0 1 283.297 2.610 20 30 CFEDMN C#CCN1CCC[C@@H](Nc2cccc(C(F)(F)F)n2)C1 ZINC000884611854 646487168 /nfs/dbraw/zinc/48/71/68/646487168.db2.gz WPRJRQVAFXCPIU-LLVKDONJSA-N 0 1 283.297 2.610 20 30 CFEDMN Cc1nc(C2CCN(c3ncccc3C#N)CC2)[nH]c1C ZINC000884707209 646535409 /nfs/dbraw/zinc/53/54/09/646535409.db2.gz BXCITKZJLHIWIK-UHFFFAOYSA-N 0 1 281.363 2.677 20 30 CFEDMN C[C@H]1CCc2[nH]ncc2[C@@H]1C(=O)OCCC(C)(C)C#N ZINC000885257794 646650265 /nfs/dbraw/zinc/65/02/65/646650265.db2.gz DLPKSZYGNROUBU-GXFFZTMASA-N 0 1 275.352 2.559 20 30 CFEDMN C[C@H]1CCc2[nH]ncc2[C@@H]1C(=O)OCc1ccccc1C#N ZINC000885260508 646651556 /nfs/dbraw/zinc/65/15/56/646651556.db2.gz QTXZICSHCQQAIF-MEDUHNTESA-N 0 1 295.342 2.691 20 30 CFEDMN C[C@@H]1CCc2[nH]ncc2[C@H]1C(=O)OCc1ccc(C#N)cc1 ZINC000885261586 646651611 /nfs/dbraw/zinc/65/16/11/646651611.db2.gz XANFPQOWAYETCT-BZNIZROVSA-N 0 1 295.342 2.691 20 30 CFEDMN C=CCn1ncc2ccc(NC(=O)[C@@H](CC)N(C)C)cc21 ZINC000885572536 646709525 /nfs/dbraw/zinc/70/95/25/646709525.db2.gz KURFIIOUVZNNCM-CQSZACIVSA-N 0 1 286.379 2.501 20 30 CFEDMN CC(C)CCN(CCC#N)C[C@H](O)CC1(C#N)CCC1 ZINC000886031008 646829377 /nfs/dbraw/zinc/82/93/77/646829377.db2.gz ZJCCKOIRAWJOCS-OAHLLOKOSA-N 0 1 277.412 2.693 20 30 CFEDMN C#C[C@H](NC/C=C/c1cccc(F)c1)[C@H]1CCCO1 ZINC000886070914 646853481 /nfs/dbraw/zinc/85/34/81/646853481.db2.gz XXGBPMVBULGMCO-YOSLTCIPSA-N 0 1 259.324 2.609 20 30 CFEDMN C=CCNC(=O)c1ccc(NCc2n[nH]c(C)c2C)cc1 ZINC000886140725 646891809 /nfs/dbraw/zinc/89/18/09/646891809.db2.gz OMABYDLYRXMEAP-UHFFFAOYSA-N 0 1 284.363 2.554 20 30 CFEDMN C#CCN1CCC[C@@H](NCc2c(Cl)cncc2Cl)C1 ZINC000886209946 646922976 /nfs/dbraw/zinc/92/29/76/646922976.db2.gz ZEIYQCCUZGRLBX-LLVKDONJSA-N 0 1 298.217 2.576 20 30 CFEDMN CC1(C)CN(C[C@@H](O)CC2(C#N)CCC2)[C@@H]1c1cccnc1 ZINC000886289609 646956383 /nfs/dbraw/zinc/95/63/83/646956383.db2.gz ZEIRAUDYYKNHNT-JKSUJKDBSA-N 0 1 299.418 2.909 20 30 CFEDMN C#CC[C@H]1CC[N@H+]([C@@H](C)C(=O)Nc2cccc(C)c2)C1 ZINC000886353408 646982899 /nfs/dbraw/zinc/98/28/99/646982899.db2.gz IPJCEAFHKDZPBU-GJZGRUSLSA-N 0 1 270.376 2.667 20 30 CFEDMN C#CC[C@H]1CCN([C@@H](C)C(=O)Nc2ccc(C)cc2F)C1 ZINC000886355017 646984587 /nfs/dbraw/zinc/98/45/87/646984587.db2.gz AWFVOYVJRNGPGM-KBPBESRZSA-N 0 1 288.366 2.806 20 30 CFEDMN C#CC[C@@H]1CCN(CC(=O)Nc2cccc(Cl)c2C)C1 ZINC000886356350 646985193 /nfs/dbraw/zinc/98/51/93/646985193.db2.gz YIDKAXMLCXINQG-CYBMUJFWSA-N 0 1 290.794 2.932 20 30 CFEDMN C#CC[C@H]1CCN(CC(=O)Nc2ccc(C)c(C)c2)C1 ZINC000886359459 646987083 /nfs/dbraw/zinc/98/70/83/646987083.db2.gz CHKHXZIHXIJGDH-HNNXBMFYSA-N 0 1 270.376 2.587 20 30 CFEDMN C#CCC1(NCc2ncc(CSC)s2)CCOCC1 ZINC000886378806 646993425 /nfs/dbraw/zinc/99/34/25/646993425.db2.gz BKQMFIZKNRZKJQ-UHFFFAOYSA-N 0 1 296.461 2.668 20 30 CFEDMN N#CCCNC[C@H](O)Cn1c2ccccc2c2ccccc21 ZINC000886460961 647006177 /nfs/dbraw/zinc/00/61/77/647006177.db2.gz DDIHOPLONDDCOC-AWEZNQCLSA-N 0 1 293.370 2.659 20 30 CFEDMN COc1ccc(CN[C@H]2CCc3cccnc32)cc1C#N ZINC000886553351 647044511 /nfs/dbraw/zinc/04/45/11/647044511.db2.gz KZXWBHYMNMBVBG-HNNXBMFYSA-N 0 1 279.343 2.739 20 30 CFEDMN C=CCC1(O)CCN(C[C@@H](O)c2cccc(Cl)c2)CC1 ZINC000886766556 647131310 /nfs/dbraw/zinc/13/13/10/647131310.db2.gz MBKBKWZJAJZNAO-OAHLLOKOSA-N 0 1 295.810 2.776 20 30 CFEDMN C[C@@H](C(=O)Nc1ccc(C#N)c(Cl)c1)N(C)CCCF ZINC000887139831 647227417 /nfs/dbraw/zinc/22/74/17/647227417.db2.gz GFCITNYBUBCVKM-JTQLQIEISA-N 0 1 297.761 2.830 20 30 CFEDMN C#CCN(C(=O)c1ccn[nH]1)[C@@H]1CCCc2ccccc21 ZINC000887234056 647244906 /nfs/dbraw/zinc/24/49/06/647244906.db2.gz KLPZTPOAZPCPFU-MRXNPFEDSA-N 0 1 279.343 2.563 20 30 CFEDMN C#CCN(C(=O)c1cnc(C)[nH]1)[C@@H]1CCCc2ccccc21 ZINC000887234371 647245508 /nfs/dbraw/zinc/24/55/08/647245508.db2.gz SXUDQFKIJOMCOG-QGZVFWFLSA-N 0 1 293.370 2.871 20 30 CFEDMN C=C1CCC(C(=O)NCCN2CCc3ccccc3C2)CC1 ZINC000887945299 647442940 /nfs/dbraw/zinc/44/29/40/647442940.db2.gz AFUHYIBRSWJSRS-UHFFFAOYSA-N 0 1 298.430 2.907 20 30 CFEDMN CN1CCC(C#N)(NC(=O)CCCCc2ccccc2)CC1 ZINC000889742719 647667021 /nfs/dbraw/zinc/66/70/21/647667021.db2.gz YJRXZAIHLPRBEN-UHFFFAOYSA-N 0 1 299.418 2.504 20 30 CFEDMN C=CCCC(=O)Nc1nc2cccc(C(=O)OCC)c2[nH]1 ZINC000890474400 647807719 /nfs/dbraw/zinc/80/77/19/647807719.db2.gz MMGDOUAETIVALD-UHFFFAOYSA-N 0 1 287.319 2.644 20 30 CFEDMN C[C@@H](CC(C)(C)C#N)NCc1nccn1C(F)F ZINC000924836048 648056239 /nfs/dbraw/zinc/05/62/39/648056239.db2.gz OTCBIVKYIHWTJI-VIFPVBQESA-N 0 1 256.300 2.696 20 30 CFEDMN C#CCSCCN[C@H]1COCc2cccc(Cl)c21 ZINC000925451215 648172518 /nfs/dbraw/zinc/17/25/18/648172518.db2.gz AWDNADQDBQVXHY-ZDUSSCGKSA-N 0 1 281.808 2.867 20 30 CFEDMN C=CCNC(=O)CN[C@H](C)c1csc(C(F)(F)F)c1 ZINC000925978513 648378898 /nfs/dbraw/zinc/37/88/98/648378898.db2.gz CSDWKLDQIPAEOK-MRVPVSSYSA-N 0 1 292.326 2.720 20 30 CFEDMN C[C@H](CC(C)(C)C#N)NCc1nn(C)c2ccccc12 ZINC000926172321 648423596 /nfs/dbraw/zinc/42/35/96/648423596.db2.gz UNVJNFXSYOFWST-GFCCVEGCSA-N 0 1 270.380 2.991 20 30 CFEDMN C=C[C@@H]1OCCC[C@H]1N[C@H]1CCCc2oc(C)nc21 ZINC000926534261 648522575 /nfs/dbraw/zinc/52/25/75/648522575.db2.gz SGZZQIJAARSECY-AGIUHOORSA-N 0 1 262.353 2.684 20 30 CFEDMN CC(C)(C)OC(=O)N1CC[C@H](NCC(C)(C)C#N)C1(C)C ZINC000926875176 648641967 /nfs/dbraw/zinc/64/19/67/648641967.db2.gz WGXWIZNBLFKEFN-LBPRGKRZSA-N 0 1 295.427 2.914 20 30 CFEDMN CCN(CC)[C@H](C(=O)N1CCC[C@H](C#N)C1)c1ccccc1 ZINC000928224979 648878734 /nfs/dbraw/zinc/87/87/34/648878734.db2.gz VEABJHOWZWKEGB-WBVHZDCISA-N 0 1 299.418 2.832 20 30 CFEDMN N#CCCc1ccc(NC(=O)[C@@H]2C[C@H]2c2cnc[nH]2)cc1 ZINC000928400788 648907042 /nfs/dbraw/zinc/90/70/42/648907042.db2.gz HZCPQTBYGDDBDO-ZIAGYGMSSA-N 0 1 280.331 2.608 20 30 CFEDMN C=CCCC[C@H](C(=O)NC[C@@H]1CCN1C)c1ccccc1 ZINC000928571552 648925871 /nfs/dbraw/zinc/92/58/71/648925871.db2.gz OXDZPGZNQCHKLD-IRXDYDNUSA-N 0 1 286.419 2.947 20 30 CFEDMN C#CCN(C(=O)c1cccc(Br)c1O)C(C)C ZINC000928627120 648937637 /nfs/dbraw/zinc/93/76/37/648937637.db2.gz XCNKXGVCIZHYBA-UHFFFAOYSA-N 0 1 296.164 2.639 20 30 CFEDMN C#CCN1CCC(NC(=O)c2ccccc2C(C)C)CC1 ZINC000928648067 648938664 /nfs/dbraw/zinc/93/86/64/648938664.db2.gz FEDPGGMKBXDMPO-UHFFFAOYSA-N 0 1 284.403 2.637 20 30 CFEDMN C#CCN1CCC(NC(=O)C(C)(C)C2CCCCC2)CC1 ZINC000928655400 648938957 /nfs/dbraw/zinc/93/89/57/648938957.db2.gz VSWPISSDEFZDRZ-UHFFFAOYSA-N 0 1 290.451 2.807 20 30 CFEDMN C#CCN1CCC(NC(=O)CC(C)(C)c2ccccc2)CC1 ZINC000928657592 648939135 /nfs/dbraw/zinc/93/91/35/648939135.db2.gz PDDYNANMKVDNDC-UHFFFAOYSA-N 0 1 298.430 2.568 20 30 CFEDMN C#CCN1CCC(NC(=O)CC2CCC(C)(C)CC2)CC1 ZINC000928655232 648939155 /nfs/dbraw/zinc/93/91/55/648939155.db2.gz SDRDNQVMYMMDDU-UHFFFAOYSA-N 0 1 290.451 2.807 20 30 CFEDMN C#CCN1CCC(NC(=O)CCCCCCCC)CC1 ZINC000928659703 648939835 /nfs/dbraw/zinc/93/98/35/648939835.db2.gz YAYWALWKGGSWPB-UHFFFAOYSA-N 0 1 278.440 2.951 20 30 CFEDMN C=CCN(C/C(C)=C\C(=O)OC)Cc1cccs1 ZINC000929140117 648988282 /nfs/dbraw/zinc/98/82/82/648988282.db2.gz FMUXWZMSDWOQPS-XFXZXTDPSA-N 0 1 265.378 2.855 20 30 CFEDMN C#Cc1cccc(NC(=O)CN(C)C[C@@H]2C[C@H]2CC)c1 ZINC000929290045 649025195 /nfs/dbraw/zinc/02/51/95/649025195.db2.gz KEZRJMWJTYPMJQ-CABCVRRESA-N 0 1 270.376 2.584 20 30 CFEDMN C=CCN(C/C(C)=C/C(=O)OC)Cc1cccc(C#N)c1 ZINC000929364246 649039180 /nfs/dbraw/zinc/03/91/80/649039180.db2.gz NOWPONITGBLVAP-NTEUORMPSA-N 0 1 284.359 2.666 20 30 CFEDMN N#Cc1cc(Cl)cc(C[N@@H+]2CCCC[C@H]2CCO)c1 ZINC000929519871 649065502 /nfs/dbraw/zinc/06/55/02/649065502.db2.gz NIYMSARYHQRPQK-HNNXBMFYSA-N 0 1 278.783 2.949 20 30 CFEDMN N#Cc1cc(Cl)cc(CN2CCCC[C@H]2CCO)c1 ZINC000929519871 649065505 /nfs/dbraw/zinc/06/55/05/649065505.db2.gz NIYMSARYHQRPQK-HNNXBMFYSA-N 0 1 278.783 2.949 20 30 CFEDMN N#CC[C@@H](O)CN1CCc2ccccc2[C@H]1c1ccccc1 ZINC000929602902 649075977 /nfs/dbraw/zinc/07/59/77/649075977.db2.gz IMNKJOHVULAGGV-IEBWSBKVSA-N 0 1 292.382 2.909 20 30 CFEDMN N#Cc1cncc(CN2CCC[C@H]2C[C@H](O)c2ccco2)c1 ZINC000929830158 649133800 /nfs/dbraw/zinc/13/38/00/649133800.db2.gz AUJOKTARJAWUKS-HOTGVXAUSA-N 0 1 297.358 2.634 20 30 CFEDMN Cc1cc(C#N)cc(C)c1CN1CCO[C@H](C)[C@@H]1C ZINC000929847218 649138129 /nfs/dbraw/zinc/13/81/29/649138129.db2.gz MDPUCMSNNPEBKD-UONOGXRCSA-N 0 1 258.365 2.784 20 30 CFEDMN N#Cc1cncc(CN2CCC(c3cccnc3)CC2)c1 ZINC000930159989 649195149 /nfs/dbraw/zinc/19/51/49/649195149.db2.gz KDMIXAANAFXBFX-UHFFFAOYSA-N 0 1 278.359 2.728 20 30 CFEDMN N#CC[C@@H](O)CN[C@@H](c1ccccc1F)C1CCCC1 ZINC000930233471 649211062 /nfs/dbraw/zinc/21/10/62/649211062.db2.gz QXBLOSYFSXPRJN-CZUORRHYSA-N 0 1 276.355 2.921 20 30 CFEDMN CC[C@@H]1CN(CC2CCC(C#N)CC2)C[C@@H](C)[S@@]1=O ZINC000930455495 649252163 /nfs/dbraw/zinc/25/21/63/649252163.db2.gz PFLYKRYFHZOEJH-AAJDHPIRSA-N 0 1 282.453 2.548 20 30 CFEDMN N#Cc1cncc(CN2CCSC[C@H]2C2CCC2)c1 ZINC000930744997 649319499 /nfs/dbraw/zinc/31/94/99/649319499.db2.gz RKVMFCAEVXLOLK-HNNXBMFYSA-N 0 1 273.405 2.671 20 30 CFEDMN CCOC(=O)/C=C\CN(C)[C@@H](C)c1cccc(C#N)c1 ZINC000930763672 649322491 /nfs/dbraw/zinc/32/24/91/649322491.db2.gz GZQNALWLPWVKDY-XURPKSDJSA-N 0 1 272.348 2.670 20 30 CFEDMN C[C@@H]1C(=O)N(C)[C@H](C)[C@H](C)[N@H+]1CCCCC1(C#N)CCC1 ZINC000930810561 649328163 /nfs/dbraw/zinc/32/81/63/649328163.db2.gz WJVHXULIMHPKBB-QLFBSQMISA-N 0 1 291.439 2.790 20 30 CFEDMN C[C@@H]1C(=O)N(C)[C@H](C)[C@H](C)N1CCCCC1(C#N)CCC1 ZINC000930810561 649328168 /nfs/dbraw/zinc/32/81/68/649328168.db2.gz WJVHXULIMHPKBB-QLFBSQMISA-N 0 1 291.439 2.790 20 30 CFEDMN C=CC[C@H]1CCCC[C@H]1NCc1nnc(OC)s1 ZINC000930918927 649349137 /nfs/dbraw/zinc/34/91/37/649349137.db2.gz DVTIRBIJHVFYGV-WDEREUQCSA-N 0 1 267.398 2.771 20 30 CFEDMN C[C@H](C[N@@H+]1CCC[C@@H](CC#N)C1)C(=O)c1ccc([O-])cc1 ZINC000930922639 649350145 /nfs/dbraw/zinc/35/01/45/649350145.db2.gz CYCLVWWTWIXIOW-KGLIPLIRSA-N 0 1 286.375 2.837 20 30 CFEDMN C[C@H](C[N@H+]1CCC[C@@H](CC#N)C1)C(=O)c1ccc([O-])cc1 ZINC000930922639 649350147 /nfs/dbraw/zinc/35/01/47/649350147.db2.gz CYCLVWWTWIXIOW-KGLIPLIRSA-N 0 1 286.375 2.837 20 30 CFEDMN C=CCCCCN1CCc2nc[nH]c2C12CCOCC2 ZINC000931108135 649380583 /nfs/dbraw/zinc/38/05/83/649380583.db2.gz SNCFUERVWIUPSU-UHFFFAOYSA-N 0 1 275.396 2.630 20 30 CFEDMN CC(C)(C#N)CCCCN1CCC[C@H]1c1nnc[nH]1 ZINC000931139749 649385491 /nfs/dbraw/zinc/38/54/91/649385491.db2.gz ANRVWOFPCGTBIM-LBPRGKRZSA-N 0 1 261.373 2.662 20 30 CFEDMN C#CC1(O)CCN([C@@H](C)c2cccc(Cl)c2)CC1 ZINC000931144978 649386764 /nfs/dbraw/zinc/38/67/64/649386764.db2.gz LTDRTTBRBAXOTI-LBPRGKRZSA-N 0 1 263.768 2.861 20 30 CFEDMN C=CCCc1ccccc1NC(=O)NCc1n[nH]c(C)n1 ZINC000931291391 649402213 /nfs/dbraw/zinc/40/22/13/649402213.db2.gz QJSBTZKBXZYKJN-UHFFFAOYSA-N 0 1 285.351 2.553 20 30 CFEDMN Cc1n[nH]cc1C[N@H+](C)Cc1c(C)cc(C#N)cc1C ZINC000931414949 649421247 /nfs/dbraw/zinc/42/12/47/649421247.db2.gz HMBRDIBXUFCVCA-UHFFFAOYSA-N 0 1 268.364 2.839 20 30 CFEDMN Cc1n[nH]cc1CN(C)Cc1c(C)cc(C#N)cc1C ZINC000931414949 649421248 /nfs/dbraw/zinc/42/12/48/649421248.db2.gz HMBRDIBXUFCVCA-UHFFFAOYSA-N 0 1 268.364 2.839 20 30 CFEDMN Cc1cc(C#N)cc(C)c1CN(C)[C@@H]1CCCCN(C)C1=O ZINC000931472081 649436110 /nfs/dbraw/zinc/43/61/10/649436110.db2.gz OQSVSSXAIVQASV-QGZVFWFLSA-N 0 1 299.418 2.618 20 30 CFEDMN Cc1nc([C@H]2CC[N@@H+](Cc3c(C)cc(C#N)cc3C)C2)no1 ZINC000931936626 649515859 /nfs/dbraw/zinc/51/58/59/649515859.db2.gz QFZKQNMQSAHHIG-HNNXBMFYSA-N 0 1 296.374 2.856 20 30 CFEDMN CC(C)(C)OC[C@@H]1CCCN1Cc1cncc(C#N)c1 ZINC000932169085 649557949 /nfs/dbraw/zinc/55/79/49/649557949.db2.gz NFYSBOMDFGJHKE-HNNXBMFYSA-N 0 1 273.380 2.733 20 30 CFEDMN C#CCN(Cc1n[nH]c(C)n1)[C@H]1CCCc2ccccc21 ZINC000933420683 649692658 /nfs/dbraw/zinc/69/26/58/649692658.db2.gz PWNALUQQUQVZBB-INIZCTEOSA-N 0 1 280.375 2.626 20 30 CFEDMN Cc1cc(CN2CCC(c3ccc(C#N)cc3)CC2)nn1C ZINC000933607523 649705639 /nfs/dbraw/zinc/70/56/39/649705639.db2.gz RHECLJZOCGOOKN-UHFFFAOYSA-N 0 1 294.402 2.980 20 30 CFEDMN CCc1nc(CN2CCC(c3ccc(C#N)cc3)CC2)n[nH]1 ZINC000933611771 649706103 /nfs/dbraw/zinc/70/61/03/649706103.db2.gz NVMGBNWZAIXVAL-UHFFFAOYSA-N 0 1 295.390 2.618 20 30 CFEDMN N#Cc1ccc([C@@H]2CN(CCC3CC3)CCO2)cc1 ZINC000933626642 649707756 /nfs/dbraw/zinc/70/77/56/649707756.db2.gz FBSMPGNHTHKORY-INIZCTEOSA-N 0 1 256.349 2.732 20 30 CFEDMN N#Cc1ccc([C@H]2CN(CCC3CC3)CCO2)cc1 ZINC000933626645 649707846 /nfs/dbraw/zinc/70/78/46/649707846.db2.gz FBSMPGNHTHKORY-MRXNPFEDSA-N 0 1 256.349 2.732 20 30 CFEDMN C[N@@H+](CC[C@@H]1COC(C)(C)O1)Cc1cc(C#N)cs1 ZINC000933771959 649720902 /nfs/dbraw/zinc/72/09/02/649720902.db2.gz WGLROYQSDOIUMV-GFCCVEGCSA-N 0 1 280.393 2.593 20 30 CFEDMN C=CCCCC[N@@H+]1CCC[C@@H]1c1ncc(OC)c(=O)[n-]1 ZINC000934279055 649768327 /nfs/dbraw/zinc/76/83/27/649768327.db2.gz JYQPCSPMPUTZRK-GFCCVEGCSA-N 0 1 277.368 2.684 20 30 CFEDMN C=CC[C@H]1CCN1[C@H](C)C(=O)N[C@H](C)c1ccccc1 ZINC000934458603 649788229 /nfs/dbraw/zinc/78/82/29/649788229.db2.gz ALCAHLCRZIERBP-FMKPAKJESA-N 0 1 272.392 2.903 20 30 CFEDMN C=CC[C@H]1CCN1CC(=O)N[C@@H](C)c1ccc(F)cc1 ZINC000934470721 649790333 /nfs/dbraw/zinc/79/03/33/649790333.db2.gz QDRSNNDVKXWRDQ-WFASDCNBSA-N 0 1 276.355 2.653 20 30 CFEDMN C=CC[C@@H]1CCN1[C@@H](C)C(=O)N1CCCC[C@H]1CC ZINC000934470969 649790650 /nfs/dbraw/zinc/79/06/50/649790650.db2.gz IVOSAKSLTBJVMJ-RRFJBIMHSA-N 0 1 264.413 2.816 20 30 CFEDMN C=CC[C@@H]1CCN1[C@H](C)C(=O)Nc1ccccc1C ZINC000934472043 649791018 /nfs/dbraw/zinc/79/10/18/649791018.db2.gz LHRXSJIMOIDXAE-ZIAGYGMSSA-N 0 1 258.365 2.972 20 30 CFEDMN C=CC[C@H]1CCN1[C@H](C)C(=O)NCCc1ccc(F)cc1 ZINC000934472021 649791188 /nfs/dbraw/zinc/79/11/88/649791188.db2.gz LBJBRPIZDLZRIX-CJNGLKHVSA-N 0 1 290.382 2.523 20 30 CFEDMN C=CCCCN(CC)CC(=O)Nc1nnc(C(C)C)s1 ZINC000934646723 649811939 /nfs/dbraw/zinc/81/19/39/649811939.db2.gz OAODSPVPMAJTNU-UHFFFAOYSA-N 0 1 296.440 2.888 20 30 CFEDMN N#CCC[C@H](C#N)C[N@H+]1CCCC[C@@H]([C@H]2CCOC2)C1 ZINC000934842653 649840953 /nfs/dbraw/zinc/84/09/53/649840953.db2.gz NMYCWUXMTYXREQ-OAGGEKHMSA-N 0 1 275.396 2.569 20 30 CFEDMN C=CCN1CCC[C@@H](NC(=O)CC2=CCCCC2)C1 ZINC001006938774 651129709 /nfs/dbraw/zinc/12/97/09/651129709.db2.gz MOMRGRDJSFPBPI-OAHLLOKOSA-N 0 1 262.397 2.644 20 30 CFEDMN C=C(C)CN1CCC[C@H](NC(=O)c2ccoc2Cl)C1 ZINC001007223812 651132427 /nfs/dbraw/zinc/13/24/27/651132427.db2.gz WZIGJXMUKLCENU-NSHDSACASA-N 0 1 282.771 2.703 20 30 CFEDMN C=C(C)CN1CCC[C@H](NC(=O)[C@@H]2C[C@@H]3C=C[C@H]2CC3)C1 ZINC001007380272 651133523 /nfs/dbraw/zinc/13/35/23/651133523.db2.gz PDLJMHIKTZGIPS-LTIDMASMSA-N 0 1 288.435 2.745 20 30 CFEDMN C=CCN1CCC[C@@H](NC(=O)c2cccc3c2CCCC3)C1 ZINC001007399638 651133919 /nfs/dbraw/zinc/13/39/19/651133919.db2.gz HEKYRQLBUOEZEV-MRXNPFEDSA-N 0 1 298.430 2.946 20 30 CFEDMN C=CCC[N@@H+]1CCC[C@@H](NC(=O)c2ccc(F)c(F)c2)C1 ZINC001007504360 651135811 /nfs/dbraw/zinc/13/58/11/651135811.db2.gz WNEMDAIAPUTXHH-CYBMUJFWSA-N 0 1 294.345 2.735 20 30 CFEDMN C=CCN1CCC[C@@H](NC(=O)c2cc(C)c(F)cc2F)C1 ZINC001007604388 651137104 /nfs/dbraw/zinc/13/71/04/651137104.db2.gz NVVGXERMOJWJFO-GFCCVEGCSA-N 0 1 294.345 2.653 20 30 CFEDMN C=C(C)CN1CCC[C@H](NC(=O)c2cc3cnccc3o2)C1 ZINC001007784903 651138403 /nfs/dbraw/zinc/13/84/03/651138403.db2.gz GSBKGSZCSYLZSI-AWEZNQCLSA-N 0 1 299.374 2.598 20 30 CFEDMN C=C(C)CN1CCC[C@@H](NC(=O)c2cc3cnccc3o2)C1 ZINC001007784905 651138712 /nfs/dbraw/zinc/13/87/12/651138712.db2.gz GSBKGSZCSYLZSI-CQSZACIVSA-N 0 1 299.374 2.598 20 30 CFEDMN C=CCN1CCC[C@H](NC(=O)c2cccc3cccnc32)C1 ZINC001007816717 651139383 /nfs/dbraw/zinc/13/93/83/651139383.db2.gz ISMAJIWYPLZMGC-HNNXBMFYSA-N 0 1 295.386 2.615 20 30 CFEDMN C=CCN1CCC[C@@H](NC(=O)[C@H](c2ccccc2)C2CC2)C1 ZINC001007934144 651140579 /nfs/dbraw/zinc/14/05/79/651140579.db2.gz NUMOCUMXEWKSAL-QZTJIDSGSA-N 0 1 298.430 2.947 20 30 CFEDMN C=CCN1CCC[C@H](NC(=O)[C@@H]2CC[C@@H]3C[C@@H]3CC2)C1 ZINC001008030418 651141259 /nfs/dbraw/zinc/14/12/59/651141259.db2.gz JCROTHCSTWFVOB-JONQDZQNSA-N 0 1 276.424 2.579 20 30 CFEDMN C=CCN1CCC[C@@H](NC(=O)Cc2cc3ccccc3o2)C1 ZINC001008121223 651142998 /nfs/dbraw/zinc/14/29/98/651142998.db2.gz IDEOSOANVSRKFP-OAHLLOKOSA-N 0 1 298.386 2.742 20 30 CFEDMN C=CCN1CCC[C@H](NC(=O)c2ccn(C(C)C)c2C)C1 ZINC001008269826 651145795 /nfs/dbraw/zinc/14/57/95/651145795.db2.gz PLNSSNANQPULDN-HNNXBMFYSA-N 0 1 289.423 2.758 20 30 CFEDMN C=CCN1CCC[C@@H](NC(=O)c2ccoc2C2CC2)C1 ZINC001008309806 651146423 /nfs/dbraw/zinc/14/64/23/651146423.db2.gz LVDXVESJQLHEJR-CYBMUJFWSA-N 0 1 274.364 2.537 20 30 CFEDMN C=C(C)CN1CCC[C@@H](NC(=O)c2cccc(F)c2F)C1 ZINC001008338833 651146596 /nfs/dbraw/zinc/14/65/96/651146596.db2.gz GGMNGTXYORIDNE-GFCCVEGCSA-N 0 1 294.345 2.735 20 30 CFEDMN C=CCN1CCC[C@H](NC(=O)Cc2cccc(Cl)c2)C1 ZINC001008376992 651147244 /nfs/dbraw/zinc/14/72/44/651147244.db2.gz FZQPORSDPOQSBY-HNNXBMFYSA-N 0 1 292.810 2.649 20 30 CFEDMN C=CCN1CCC[C@@H](NC(=O)Cc2cc(C)ccc2C)C1 ZINC001008397615 651147910 /nfs/dbraw/zinc/14/79/10/651147910.db2.gz CZPFTNMNANWUJN-QGZVFWFLSA-N 0 1 286.419 2.613 20 30 CFEDMN C=CCN1CCC[C@H](NC(=O)c2c(C)cccc2C)C1 ZINC001008619028 651151686 /nfs/dbraw/zinc/15/16/86/651151686.db2.gz ZYRFTGPMQKVZKF-HNNXBMFYSA-N 0 1 272.392 2.684 20 30 CFEDMN C=C(C)CN1CCC[C@H](NC(=O)c2ccc(Cl)cn2)C1 ZINC001009284804 651157675 /nfs/dbraw/zinc/15/76/75/651157675.db2.gz AOHITDSFNDQJSV-ZDUSSCGKSA-N 0 1 293.798 2.505 20 30 CFEDMN C=CCN1CCC[C@H](NC(=O)[C@@H](C)c2ccc(C)cc2)C1 ZINC001009259982 651157884 /nfs/dbraw/zinc/15/78/84/651157884.db2.gz LUFUGEVIRLYMHG-RDJZCZTQSA-N 0 1 286.419 2.865 20 30 CFEDMN C=CCN1CCC[C@@H](NC(=O)c2ccc(CC)cc2)C1 ZINC001009383920 651160329 /nfs/dbraw/zinc/16/03/29/651160329.db2.gz JUJUGJUIJKEYGD-MRXNPFEDSA-N 0 1 272.392 2.629 20 30 CFEDMN CCOc1ccccc1NC(=O)C(C#N)C(=O)[C@@H](C)CC ZINC000113141112 651184710 /nfs/dbraw/zinc/18/47/10/651184710.db2.gz SSDBSLOFJUGDFC-RYUDHWBXSA-N 0 1 288.347 2.779 20 30 CFEDMN C=CCN1CC[C@@H](NC(=O)C[C@@H]2C[C@H]2c2ccccc2)C1 ZINC001014471903 651186304 /nfs/dbraw/zinc/18/63/04/651186304.db2.gz XIWFLFOWPNCQPC-BBWFWOEESA-N 0 1 284.403 2.557 20 30 CFEDMN C=C(C)CN1CC[C@@H](NC(=O)c2cccc(C)c2F)C1 ZINC001014517675 651187032 /nfs/dbraw/zinc/18/70/32/651187032.db2.gz SYEVQGUEZYGDLR-CYBMUJFWSA-N 0 1 276.355 2.514 20 30 CFEDMN C=C(C)CN1CC[C@H](NC(=O)c2cc3ccsc3[nH]2)C1 ZINC001015454289 651201348 /nfs/dbraw/zinc/20/13/48/651201348.db2.gz BPVWYDXAAFBLGM-LBPRGKRZSA-N 0 1 289.404 2.610 20 30 CFEDMN C=C(C)CN1CC[C@@H](NC(=O)c2cc(F)ccc2Cl)C1 ZINC001015747705 651212155 /nfs/dbraw/zinc/21/21/55/651212155.db2.gz UWIVIUNWEVWOCX-GFCCVEGCSA-N 0 1 296.773 2.859 20 30 CFEDMN C=C(C)CN1CC[C@@H](NC(=O)c2cc(Cl)cs2)C1 ZINC001015789487 651214419 /nfs/dbraw/zinc/21/44/19/651214419.db2.gz ZIGZVSXSURLDFH-LLVKDONJSA-N 0 1 284.812 2.782 20 30 CFEDMN C=CCN1CC[C@@H](NC(=O)[C@@H]2C[C@H]2c2ccc(C)s2)C1 ZINC001015818585 651215542 /nfs/dbraw/zinc/21/55/42/651215542.db2.gz PWAMOERTDZEDSY-MGPQQGTHSA-N 0 1 290.432 2.537 20 30 CFEDMN C=CCN1CC[C@H](NC(=O)c2ccc3c(c2)C=CCC3)C1 ZINC001015829767 651215613 /nfs/dbraw/zinc/21/56/13/651215613.db2.gz GZPDXRPSXBZSRR-KRWDZBQOSA-N 0 1 282.387 2.636 20 30 CFEDMN C=CCN1CC[C@@H](NC(=O)[C@@H](C)c2cc3ccccc3o2)C1 ZINC001015966900 651218683 /nfs/dbraw/zinc/21/86/83/651218683.db2.gz ROBHQRVGVDKJDF-DZGCQCFKSA-N 0 1 298.386 2.913 20 30 CFEDMN C=CCN1CC[C@H](NC(=O)c2cccc(C3CCC3)c2)C1 ZINC001015987293 651220025 /nfs/dbraw/zinc/22/00/25/651220025.db2.gz HPIDDZJTHGSOOC-KRWDZBQOSA-N 0 1 284.403 2.944 20 30 CFEDMN C=CCN1CC[C@H](NC(=O)C[C@H]2CCCC(C)(C)C2)C1 ZINC001015995579 651220317 /nfs/dbraw/zinc/22/03/17/651220317.db2.gz WQKBEXZGMQHMEA-CABCVRRESA-N 0 1 278.440 2.969 20 30 CFEDMN C=CCN1CC[C@@H](NC(=O)c2cccc(C(F)F)c2)C1 ZINC001016048317 651222199 /nfs/dbraw/zinc/22/21/99/651222199.db2.gz DDLJTDRPNZXMNX-CYBMUJFWSA-N 0 1 280.318 2.614 20 30 CFEDMN C=CCN1CC[C@H](NC(=O)C[C@H]2CCCc3ccccc32)C1 ZINC001016059923 651222582 /nfs/dbraw/zinc/22/25/82/651222582.db2.gz WYPCHNZKEDRAFJ-SJORKVTESA-N 0 1 298.430 2.873 20 30 CFEDMN C=CCN1CC[C@@H](NC(=O)c2cc(Cl)cc(Cl)c2)C1 ZINC001016087738 651224447 /nfs/dbraw/zinc/22/44/47/651224447.db2.gz JXJVZUMUUXZDNK-CYBMUJFWSA-N 0 1 299.201 2.984 20 30 CFEDMN C=CCN1CC[C@H](NC(=O)c2cccc(Cl)c2Cl)C1 ZINC001016087546 651224476 /nfs/dbraw/zinc/22/44/76/651224476.db2.gz HTYOCDPQPYMDKK-JTQLQIEISA-N 0 1 299.201 2.984 20 30 CFEDMN C=CCN1CC[C@@H](NC(=O)c2cc(C)c(F)cc2Cl)C1 ZINC001016122991 651224908 /nfs/dbraw/zinc/22/49/08/651224908.db2.gz KOYZOOPBLQPAPO-LLVKDONJSA-N 0 1 296.773 2.778 20 30 CFEDMN C=CCN1CC[C@H](NC(=O)C2(C)CCC(C)CC2)C1 ZINC001016375729 651232297 /nfs/dbraw/zinc/23/22/97/651232297.db2.gz YHLHTVVHKNMCBK-BBBYJDLNSA-N 0 1 264.413 2.579 20 30 CFEDMN C=C(C)CN1C[C@H]2CC[C@@H](C1)N2C(=O)/C=C/c1ccco1 ZINC001017303724 651249030 /nfs/dbraw/zinc/24/90/30/651249030.db2.gz BZAWTLAJAHNIMY-LAELXIFRSA-N 0 1 286.375 2.544 20 30 CFEDMN C=C(C)CN1C[C@H]2CC[C@@H](C1)N2C(=O)C[C@H]1C=CCCC1 ZINC001017653400 651254944 /nfs/dbraw/zinc/25/49/44/651254944.db2.gz RDKKUFCIBNKDDQ-YESZJQIVSA-N 0 1 288.435 2.984 20 30 CFEDMN C#CCCN1C[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1CCC[C@@H]1CC ZINC001017902023 651260946 /nfs/dbraw/zinc/26/09/46/651260946.db2.gz IIZNCAPLKLGZQH-NXOAAHMSSA-N 0 1 288.435 2.511 20 30 CFEDMN C=CCCN1C[C@H]2CC[C@@H](C1)N2C(=O)c1occc1CC ZINC001017899815 651261088 /nfs/dbraw/zinc/26/10/88/651261088.db2.gz IGSHKPWOMHDHCD-GASCZTMLSA-N 0 1 288.391 2.707 20 30 CFEDMN C=CCCN1C[C@H]2CC[C@@H](C1)N2C(=O)c1occc1Cl ZINC001017902019 651261245 /nfs/dbraw/zinc/26/12/45/651261245.db2.gz IGOKAAAOWWCJPW-TXEJJXNPSA-N 0 1 294.782 2.798 20 30 CFEDMN C#CCCN1C[C@H]2CC[C@@H](C1)N2C(=O)c1ccc(C)cc1C ZINC001018231432 651267389 /nfs/dbraw/zinc/26/73/89/651267389.db2.gz KRDJLKJGLTUCIY-CALCHBBNSA-N 0 1 296.414 2.616 20 30 CFEDMN C=C(Cl)CN[C@H]1CCN(C(=O)C2CCC3(CC3)CC2)C1 ZINC001019157305 651280014 /nfs/dbraw/zinc/28/00/14/651280014.db2.gz FXODMBVFAPOKOW-AWEZNQCLSA-N 0 1 296.842 2.900 20 30 CFEDMN C=C(Cl)CN[C@H]1CCN(C(=O)[C@H]2CC[C@@H]3C[C@@H]3CC2)C1 ZINC001019178075 651280530 /nfs/dbraw/zinc/28/05/30/651280530.db2.gz UATBQZGVGJYJCF-XGUBFFRZSA-N 0 1 296.842 2.756 20 30 CFEDMN C=C(Cl)CN[C@H]1CCN(C(=O)c2ccccc2CC)C1 ZINC001019301953 651282915 /nfs/dbraw/zinc/28/29/15/651282915.db2.gz KRAQJWQCLBYJCH-AWEZNQCLSA-N 0 1 292.810 2.806 20 30 CFEDMN C=C1CCC(C(=O)N2CC[C@H](NCc3ccccn3)C2)CC1 ZINC001019330923 651283241 /nfs/dbraw/zinc/28/32/41/651283241.db2.gz DLXVCBYGAUFPHZ-KRWDZBQOSA-N 0 1 299.418 2.519 20 30 CFEDMN C=C(Cl)CN[C@H]1CCN(C(=O)[C@@H]2CCC(C)(C)C2)C1 ZINC001019337308 651283335 /nfs/dbraw/zinc/28/33/35/651283335.db2.gz DPOBBUVKRUWZDI-OLZOCXBDSA-N 0 1 284.831 2.756 20 30 CFEDMN C=C(C)CN1CC[C@H]1CN(C)C(=O)c1csc(C)c1 ZINC001085874732 782192510 /nfs/dbraw/zinc/19/25/10/782192510.db2.gz IMYHXQOQZFZXQU-AWEZNQCLSA-N 0 1 278.421 2.779 20 30 CFEDMN C=CCC[N@@H+]1CC[C@@H]1CN(C)C(=O)[C@H]1CC12CCCC2 ZINC001085910243 782201763 /nfs/dbraw/zinc/20/17/63/782201763.db2.gz BONYKPBJGMRROD-HUUCEWRRSA-N 0 1 276.424 2.676 20 30 CFEDMN C=CCCN1CC[C@H]1CN(C)C(=O)c1oc(CC)cc1C ZINC001085927041 782204814 /nfs/dbraw/zinc/20/48/14/782204814.db2.gz MEZKFHZWAAZQGU-AWEZNQCLSA-N 0 1 290.407 2.873 20 30 CFEDMN C=C(C)CN1CC[C@H]1CN(C)C(=O)c1ccc2c(c1)CCC2 ZINC001085963267 782220307 /nfs/dbraw/zinc/22/03/07/782220307.db2.gz BZDCVOJNIXQVTK-SFHVURJKSA-N 0 1 298.430 2.898 20 30 CFEDMN C=CCC(C)(C)C(=O)NC[C@]1(C)CN(CCCC)CCO1 ZINC001108246154 782277135 /nfs/dbraw/zinc/27/71/35/782277135.db2.gz DXLJVJYVCMUIST-QGZVFWFLSA-N 0 1 296.455 2.596 20 30 CFEDMN CN[C@H]1CCN1Cc1ccc(C#Cc2ccccc2)s1 ZINC001236166544 778722203 /nfs/dbraw/zinc/72/22/03/778722203.db2.gz GVRZIJDBNXFYHR-QGZVFWFLSA-N 0 1 282.412 2.899 20 30 CFEDMN CC#CCN1CCCC[C@@H](NC(=O)[C@H]2CCC(C)(C)C2)C1 ZINC001034391534 780958938 /nfs/dbraw/zinc/95/89/38/780958938.db2.gz XTXKFFHSLICPIC-JKSUJKDBSA-N 0 1 290.451 2.807 20 30 CFEDMN C#CCN1CC[C@@H](N(CC)C(=O)c2cccc(C3CC3)c2)C1 ZINC001034050300 780867838 /nfs/dbraw/zinc/86/78/38/780867838.db2.gz IZLHXHMXFMGEEO-GOSISDBHSA-N 0 1 296.414 2.734 20 30 CFEDMN C=CCN1CCCC[C@@H](NC(=O)C(F)=C2CCCC2)C1 ZINC001034162504 780912391 /nfs/dbraw/zinc/91/23/91/780912391.db2.gz STJLPPGVISBCRQ-CQSZACIVSA-N 0 1 280.387 2.941 20 30 CFEDMN C=CCN1CCC[C@H](NC(=O)[C@H](CC)CC(C)C)C1 ZINC001266246011 769824415 /nfs/dbraw/zinc/82/44/15/769824415.db2.gz JGIFTPVIZZCHBO-CABCVRRESA-N 0 1 266.429 2.825 20 30 CFEDMN C=CCN1CCC[C@H](NC(=O)[C@@H](CC)CC(C)C)C1 ZINC001266246012 769825520 /nfs/dbraw/zinc/82/55/20/769825520.db2.gz JGIFTPVIZZCHBO-GJZGRUSLSA-N 0 1 266.429 2.825 20 30 CFEDMN CC/C=C\CCN1CCC(C#N)(C(=O)OCC)CC1 ZINC001208730160 769929926 /nfs/dbraw/zinc/92/99/26/769929926.db2.gz RKMPAQKROBDBJZ-WAYWQWQTSA-N 0 1 264.369 2.512 20 30 CFEDMN C=C(C)CN1CC[C@@H]1CNC(=O)[C@@H]1CCCC(C)(C)C1 ZINC001039054737 769962913 /nfs/dbraw/zinc/96/29/13/769962913.db2.gz WELMKHZQHKMYMD-HUUCEWRRSA-N 0 1 278.440 2.969 20 30 CFEDMN CC#CCN(C)CCNC(=O)[C@]1(C)CC[C@H](C)C1(C)C ZINC001266332207 769973459 /nfs/dbraw/zinc/97/34/59/769973459.db2.gz GPJKGAMDKFZNCV-YOEHRIQHSA-N 0 1 278.440 2.520 20 30 CFEDMN CCCCN(CC#N)c1[nH]ccc2ncc(C#N)c1-2 ZINC001167132869 770078986 /nfs/dbraw/zinc/07/89/86/770078986.db2.gz YOJVPNQSGFMYPA-UHFFFAOYSA-N 0 1 253.309 2.565 20 30 CFEDMN C=CCCCCCN1CC(N2C[C@H](C)O[C@@H](C)C2)C1 ZINC001209431480 770084495 /nfs/dbraw/zinc/08/44/95/770084495.db2.gz PDZPDZBIRQJLCN-GJZGRUSLSA-N 0 1 266.429 2.526 20 30 CFEDMN C#CCCCC(=O)NC[C@H]1CCCN1Cc1ccsc1 ZINC001266460958 770182769 /nfs/dbraw/zinc/18/27/69/770182769.db2.gz GWHTYSCULOCZRP-OAHLLOKOSA-N 0 1 290.432 2.632 20 30 CFEDMN C=C(C)CCN1C[C@H]2CC[C@@H](C1)N2C(=O)CSC(C)C ZINC001266478195 770196058 /nfs/dbraw/zinc/19/60/58/770196058.db2.gz FTNUCDZLGDOPSU-GASCZTMLSA-N 0 1 296.480 2.769 20 30 CFEDMN C#CCN1CCC[C@H]1CNC(=O)[C@@H](CC)CC1CCCC1 ZINC001266485575 770201144 /nfs/dbraw/zinc/20/11/44/770201144.db2.gz FFOOWMWHNGMCAZ-IRXDYDNUSA-N 0 1 290.451 2.807 20 30 CFEDMN COc1cc(CN2CCC3SC(=O)C=C3C2)ccc1C ZINC001140156216 770215122 /nfs/dbraw/zinc/21/51/22/770215122.db2.gz DFGNGZHTWJCPSC-HNNXBMFYSA-N 0 1 289.400 2.778 20 30 CFEDMN CC#CC[N@@H+](CCNC(=O)c1occc1C(C)C)C1CC1 ZINC001266606821 770414986 /nfs/dbraw/zinc/41/49/86/770414986.db2.gz GBMLYLKMGJOXFY-UHFFFAOYSA-N 0 1 288.391 2.621 20 30 CFEDMN CC#CCN(CCNC(=O)c1occc1C(C)C)C1CC1 ZINC001266606821 770414987 /nfs/dbraw/zinc/41/49/87/770414987.db2.gz GBMLYLKMGJOXFY-UHFFFAOYSA-N 0 1 288.391 2.621 20 30 CFEDMN CC#CCN(CCNC(=O)C[C@@H]1CCCC[C@H]1C)C1CC1 ZINC001266621568 770451486 /nfs/dbraw/zinc/45/14/86/770451486.db2.gz GJXYZNVRIOOZNB-CVEARBPZSA-N 0 1 290.451 2.807 20 30 CFEDMN Cn1cncc1Nc1sc2c(c1C#N)CCCC2 ZINC001211245350 770463244 /nfs/dbraw/zinc/46/32/44/770463244.db2.gz JASCLVRBTLOBFH-UHFFFAOYSA-N 0 1 258.350 2.976 20 30 CFEDMN C=CCCC(=O)N(C)CCNCc1cccc(F)c1Cl ZINC001266654494 770490641 /nfs/dbraw/zinc/49/06/41/770490641.db2.gz GAHPTEHIKGVRGK-UHFFFAOYSA-N 0 1 298.789 2.993 20 30 CFEDMN C=CC(C)(C)CC(=O)N1CCC[C@H]2CN(CCF)CC[C@@H]21 ZINC001266658464 770491866 /nfs/dbraw/zinc/49/18/66/770491866.db2.gz DJABAKCIOVDIGJ-GJZGRUSLSA-N 0 1 296.430 2.871 20 30 CFEDMN C#CCN1CCC(C(=O)N2CCCCC[C@H]2C(C)C)CC1 ZINC001266687716 770531068 /nfs/dbraw/zinc/53/10/68/770531068.db2.gz NYCAXPRTHPYHJV-KRWDZBQOSA-N 0 1 290.451 2.759 20 30 CFEDMN C=CCN1CC[C@H]2CC[C@@H](C1)N2C(=O)C1(C(F)F)CCC1 ZINC001039423696 770644744 /nfs/dbraw/zinc/64/47/44/770644744.db2.gz HPPOFECEKPDUCS-OLZOCXBDSA-N 0 1 298.377 2.673 20 30 CFEDMN CC#CCN1CCCC[C@H]1CNC(=O)C=C(CC)CC ZINC001266840399 770665875 /nfs/dbraw/zinc/66/58/75/770665875.db2.gz UBGJALDVJIEOKY-INIZCTEOSA-N 0 1 276.424 2.727 20 30 CFEDMN N#Cc1ccc(O)c(NC(=O)/C=C\c2ccc(O)cc2)c1 ZINC000588466273 770763144 /nfs/dbraw/zinc/76/31/44/770763144.db2.gz MDYYCGWAPFIDKB-YWEYNIOJSA-N 0 1 280.283 2.621 20 30 CFEDMN C#CCN(C)CCNC(=O)c1csc2cc(C)ccc21 ZINC001267197720 773202496 /nfs/dbraw/zinc/20/24/96/773202496.db2.gz RJWSNSXIYYBOOR-UHFFFAOYSA-N 0 1 286.400 2.505 20 30 CFEDMN CC#CCN(CC)CCNC(=O)[C@@H]1CCCC[C@@H]1C1CC1 ZINC001267246469 773256613 /nfs/dbraw/zinc/25/66/13/773256613.db2.gz ARJSECTXDWPNCU-IAGOWNOFSA-N 0 1 290.451 2.664 20 30 CFEDMN C#CC[N@@H+](CC)CCNC(=O)C[C@@H](C)c1ccccc1C ZINC001267251137 775104195 /nfs/dbraw/zinc/10/41/95/775104195.db2.gz WFUBCUDHCIFAIX-MRXNPFEDSA-N 0 1 286.419 2.560 20 30 CFEDMN C#CCN(CC)CCNC(=O)C[C@@H](C)c1ccccc1C ZINC001267251137 775104199 /nfs/dbraw/zinc/10/41/99/775104199.db2.gz WFUBCUDHCIFAIX-MRXNPFEDSA-N 0 1 286.419 2.560 20 30 CFEDMN C/C=C(\C)C(=O)NC[C@@H]1CCCN1Cc1ccc(C#N)cc1 ZINC001267264758 775121631 /nfs/dbraw/zinc/12/16/31/775121631.db2.gz WFCBNKNCRASUGJ-ZTWVHDNBSA-N 0 1 297.402 2.605 20 30 CFEDMN CC#CCN1CCC[C@@H]1CNC(=O)[C@@H](C)C(CC)CC ZINC001267269574 775130184 /nfs/dbraw/zinc/13/01/84/775130184.db2.gz BDNXHVRBMRNYBH-GOEBONIOSA-N 0 1 278.440 2.663 20 30 CFEDMN CC#CCN1CCC[C@H]1CNC(=O)C1(CCCC)CC1 ZINC001267273246 775136596 /nfs/dbraw/zinc/13/65/96/775136596.db2.gz CXTRAGWBPCNJCK-HNNXBMFYSA-N 0 1 276.424 2.561 20 30 CFEDMN C=C[C@H](C(=O)NC[C@@H]1CCCN1CC#CC)c1ccccc1 ZINC001267283382 775153172 /nfs/dbraw/zinc/15/31/72/775153172.db2.gz WVYDNNFVWGMCQA-ROUUACIJSA-N 0 1 296.414 2.560 20 30 CFEDMN C=C(C)CN1CC[C@@H]1CNC(=O)[C@@H](C)c1cccc(F)c1 ZINC001276977091 775208271 /nfs/dbraw/zinc/20/82/71/775208271.db2.gz GQRFCUWFKKCUKY-XJKSGUPXSA-N 0 1 290.382 2.696 20 30 CFEDMN C=CC[N@H+](CC(=O)[O-])CC1C2CC3CC(C2)CC1C3 ZINC000693869015 775216866 /nfs/dbraw/zinc/21/68/66/775216866.db2.gz URTJRTFNNZKZGO-UHFFFAOYSA-N 0 1 263.381 2.631 20 30 CFEDMN C#CCC1(C(=O)NC[C@@H]2CC[N@@H+]2CCCC)CCCCC1 ZINC001276985631 775228181 /nfs/dbraw/zinc/22/81/81/775228181.db2.gz FWSQPEUPRBJKRB-INIZCTEOSA-N 0 1 290.451 2.951 20 30 CFEDMN C#CCCN1CC[C@H]1CNC(=O)c1c(C)oc2ccccc21 ZINC001038285274 775228462 /nfs/dbraw/zinc/22/84/62/775228462.db2.gz YVXPYLMCRMBMTJ-AWEZNQCLSA-N 0 1 296.370 2.569 20 30 CFEDMN C#CCN[C@H](CNC(=O)[C@@]1(C)CC=CCC1)c1ccccc1 ZINC001267362527 775253622 /nfs/dbraw/zinc/25/36/22/775253622.db2.gz RYMJWCOPTDWBOC-MJGOQNOKSA-N 0 1 296.414 2.813 20 30 CFEDMN C(#CC1CC1)CO[C@H]1CCN2Cc3ccccc3N=C12 ZINC001224850913 775291001 /nfs/dbraw/zinc/29/10/01/775291001.db2.gz SQJDCCBNBLALJB-INIZCTEOSA-N 0 1 266.344 2.735 20 30 CFEDMN C#CCCCCC(=O)N1C[C@H]2CC[C@@H](C1)N2CC=C(C)C ZINC001267400821 775312124 /nfs/dbraw/zinc/31/21/24/775312124.db2.gz DZGGWAOLTUBHAO-CALCHBBNSA-N 0 1 288.435 2.821 20 30 CFEDMN C=C1O[C@@H](C)C(=O)C1OCCCCCCCCCO ZINC001217862415 775339270 /nfs/dbraw/zinc/33/92/70/775339270.db2.gz ORJPHSYHCGZZFY-LBPRGKRZSA-N 0 1 270.369 2.945 20 30 CFEDMN CCCCCCC[C@H](CC)OCC(=O)N1CCNCC1 ZINC001217890394 775352661 /nfs/dbraw/zinc/35/26/61/775352661.db2.gz HKLRAXQMHWHEMV-HNNXBMFYSA-N 0 1 284.444 2.574 20 30 CFEDMN CC#CCCCC(=O)N(CCC)[C@H]1CCN(CC#CC)C1 ZINC001267474180 775372664 /nfs/dbraw/zinc/37/26/64/775372664.db2.gz HALSWSHHOBOHKZ-KRWDZBQOSA-N 0 1 288.435 2.516 20 30 CFEDMN C#CCN1CC[C@@H](N(CCC)C(=O)CCC2(C)CC2)C1 ZINC001267489064 775386713 /nfs/dbraw/zinc/38/67/13/775386713.db2.gz SWASSTYFUAZSNI-OAHLLOKOSA-N 0 1 276.424 2.513 20 30 CFEDMN C=CCCC(=O)N[C@@H]1CCCC[C@H]1NCc1nccs1 ZINC001225275846 775386938 /nfs/dbraw/zinc/38/69/38/775386938.db2.gz SOZLQFSEIGKFCF-CHWSQXEVSA-N 0 1 293.436 2.626 20 30 CFEDMN C#CCN[C@@H](CNC(=O)CC)c1ccc(C(C)C)cc1 ZINC001267512705 775405382 /nfs/dbraw/zinc/40/53/82/775405382.db2.gz SCZDZGPYQAHYQL-INIZCTEOSA-N 0 1 272.392 2.600 20 30 CFEDMN C=C(Cl)CN1CC[C@@H](CCNC(=O)/C(C)=C\C)C1 ZINC001267513397 775406638 /nfs/dbraw/zinc/40/66/38/775406638.db2.gz JDYNUQBKXRTLIR-XFVCYKSVSA-N 0 1 270.804 2.533 20 30 CFEDMN C#CCN[C@H](CNC(=O)C1=CCCCCC1)c1ccccc1 ZINC001267518976 775414288 /nfs/dbraw/zinc/41/42/88/775414288.db2.gz CSGPEMXMHXHQGG-GOSISDBHSA-N 0 1 296.414 2.957 20 30 CFEDMN CC#CCN[C@@H](CNC(=O)[C@@H]1C[C@H]1CC)c1ccccc1 ZINC001267523905 775420831 /nfs/dbraw/zinc/42/08/31/775420831.db2.gz YYLBJAWILFUTAA-OIISXLGYSA-N 0 1 284.403 2.503 20 30 CFEDMN C=C1O[C@@H](CC)C(=O)C1Oc1cc2c(c(F)c1)C(=O)CC2 ZINC001225372918 775434252 /nfs/dbraw/zinc/43/42/52/775434252.db2.gz ZVNJBDNTCPWPOG-ZDUSSCGKSA-N 0 1 290.290 2.943 20 30 CFEDMN C[C@@H](c1ccccn1)N1CC[C@@H](Oc2ccc(C#N)nc2)C1 ZINC001225500487 775482848 /nfs/dbraw/zinc/48/28/48/775482848.db2.gz WBUVMTCBISAFKM-XJKSGUPXSA-N 0 1 294.358 2.563 20 30 CFEDMN N#Cc1cccc(CN2CCC[C@](O)(CF)CC2)c1Cl ZINC001140808249 775500403 /nfs/dbraw/zinc/50/04/03/775500403.db2.gz NMVPPIGQCJOMJH-OAHLLOKOSA-N 0 1 296.773 2.898 20 30 CFEDMN CC[C@H](C)O[C@H]1CCN(Cc2ccccc2C#N)C1 ZINC001204623801 775523878 /nfs/dbraw/zinc/52/38/78/775523878.db2.gz ZAZFJLULDFZBJO-BBRMVZONSA-N 0 1 258.365 2.948 20 30 CFEDMN C[C@@H](c1ccccn1)N1CC[C@@H](Oc2cccnc2C#N)C1 ZINC001225672845 775552229 /nfs/dbraw/zinc/55/22/29/775552229.db2.gz IMLZLVNCAPLJFV-UONOGXRCSA-N 0 1 294.358 2.563 20 30 CFEDMN C=C[C@H](CCCCCC)Oc1nc(C(=O)OC)cc(=O)[nH]1 ZINC001225731304 775575724 /nfs/dbraw/zinc/57/57/24/775575724.db2.gz XVONYJCEDCLBJK-LLVKDONJSA-N 0 1 294.351 2.873 20 30 CFEDMN CN1CCC[C@@H](Oc2ccc(C#N)cc2Cl)C1 ZINC001225727148 775575791 /nfs/dbraw/zinc/57/57/91/775575791.db2.gz LPSPYULHSGRFIK-LLVKDONJSA-N 0 1 250.729 2.685 20 30 CFEDMN CC#CCN1CCC(NC(=O)CCC2CCCC2)CC1 ZINC001225883750 775621935 /nfs/dbraw/zinc/62/19/35/775621935.db2.gz IZYMYOFGOAWDRW-UHFFFAOYSA-N 0 1 276.424 2.561 20 30 CFEDMN CC[C@H](C#Cc1ccccc1)Oc1[nH]c(=O)ncc1F ZINC001225884931 775623504 /nfs/dbraw/zinc/62/35/04/775623504.db2.gz JALZXFXYVTUGMX-GFCCVEGCSA-N 0 1 272.279 2.530 20 30 CFEDMN C=CC[C@@H](C=C)Oc1nc(C(F)(F)F)cc(=O)[nH]1 ZINC001225978730 775654786 /nfs/dbraw/zinc/65/47/86/775654786.db2.gz XIQYHGLFPRFVBY-SSDOTTSWSA-N 0 1 260.215 2.711 20 30 CFEDMN C=CCC1(C(=O)N[C@H]2CCCN(CC(=C)C)C2)CCC1 ZINC001267630018 775715630 /nfs/dbraw/zinc/71/56/30/775715630.db2.gz VJUXGYZYKOFAMC-HNNXBMFYSA-N 0 1 276.424 2.890 20 30 CFEDMN C[C@H](Oc1n[nH]c2ncccc12)c1ccccc1C#N ZINC001226304228 775774550 /nfs/dbraw/zinc/77/45/50/775774550.db2.gz BHQBOVUUAAQUID-JTQLQIEISA-N 0 1 264.288 2.970 20 30 CFEDMN C=CC[C@H]1CCN(C(=O)c2c3[nH]cnc3ccc2F)C1 ZINC001167721042 775776091 /nfs/dbraw/zinc/77/60/91/775776091.db2.gz YZACWUFTZURBEV-JTQLQIEISA-N 0 1 273.311 2.740 20 30 CFEDMN C=C(C)CN1CC(CNC(=O)Cc2ccccc2Cl)C1 ZINC001267698977 775788759 /nfs/dbraw/zinc/78/87/59/775788759.db2.gz SIPZKZCOXQBGHY-UHFFFAOYSA-N 0 1 292.810 2.507 20 30 CFEDMN C#CC[C@H](CC)Oc1[nH]c(=O)nc2ccc(F)cc21 ZINC001226407897 775809207 /nfs/dbraw/zinc/80/92/07/775809207.db2.gz ANXJGCYYHMRJEA-JTQLQIEISA-N 0 1 260.268 2.655 20 30 CFEDMN C#C[C@@H]1CCC[C@@H]1Oc1cc(N)nc2ccccc21 ZINC001226422952 775815573 /nfs/dbraw/zinc/81/55/73/775815573.db2.gz OXPXGUPYAZVQSA-RISCZKNCSA-N 0 1 252.317 2.998 20 30 CFEDMN Cc1c(C#N)c(O[C@H]2CCC[N@H+](C)C2)nc2ccccc12 ZINC001226444185 775824073 /nfs/dbraw/zinc/82/40/73/775824073.db2.gz FQRIGURPOJYCAE-ZDUSSCGKSA-N 0 1 281.359 2.888 20 30 CFEDMN Cc1c(C#N)c(O[C@@H]2CN3CCC2CC3)nc2ccccc12 ZINC001226444978 775824771 /nfs/dbraw/zinc/82/47/71/775824771.db2.gz QHPCNYNMWZBUPO-QGZVFWFLSA-N 0 1 293.370 2.888 20 30 CFEDMN C#CCN1CC[C@@H](N(C)C(=O)CCCCC(C)(C)C)C1 ZINC001267764742 775896484 /nfs/dbraw/zinc/89/64/84/775896484.db2.gz YLUPCLRKSMKBAE-OAHLLOKOSA-N 0 1 278.440 2.759 20 30 CFEDMN N#Cc1cccc(OCCCN2CCC[C@@H](F)C2)c1 ZINC000689879881 775908221 /nfs/dbraw/zinc/90/82/21/775908221.db2.gz CGUCFPYEBMWSAJ-CQSZACIVSA-N 0 1 262.328 2.761 20 30 CFEDMN CC#CCN1CC[C@H](N(CC)C(=O)CC2CCCCC2)C1 ZINC001267780776 775923889 /nfs/dbraw/zinc/92/38/89/775923889.db2.gz VHCFMVAFRKPYEF-KRWDZBQOSA-N 0 1 290.451 2.903 20 30 CFEDMN C=CCN1CC[C@H](N(C)C(=O)C2(CC=C)CCCC2)C1 ZINC001267780112 775924398 /nfs/dbraw/zinc/92/43/98/775924398.db2.gz ZFINDPZJANYABO-HNNXBMFYSA-N 0 1 276.424 2.842 20 30 CFEDMN C=CCN1CC[C@H](N(CC)C(=O)[C@H](C)c2ccsc2)C1 ZINC001267789395 775932525 /nfs/dbraw/zinc/93/25/25/775932525.db2.gz HMTMBSYOIJHWGL-HIFRSBDPSA-N 0 1 292.448 2.960 20 30 CFEDMN C=C1O[C@H](C)C(=O)C1Oc1ccc([N+](=O)[O-])cc1Cl ZINC001226762575 775952672 /nfs/dbraw/zinc/95/26/72/775952672.db2.gz VUZBHFUTMMWNQT-ZCFIWIBFSA-N 0 1 283.667 2.846 20 30 CFEDMN C=C[C@H](Oc1nc2[nH]cnc2c(=S)[nH]1)c1ccccc1 ZINC001226782144 775963241 /nfs/dbraw/zinc/96/32/41/775963241.db2.gz PMVGKZSZCIPBBL-JTQLQIEISA-N 0 1 284.344 2.948 20 30 CFEDMN C=CC[C@@H](C=C)Oc1nc(=O)[nH]c(C)c1Br ZINC001226787662 775965338 /nfs/dbraw/zinc/96/53/38/775965338.db2.gz KQGKOPDFFYKQCE-MRVPVSSYSA-N 0 1 285.141 2.763 20 30 CFEDMN C[C@@]1(CO)CCCN(Cc2ccc(F)cc2C#N)CC1 ZINC001141164125 775970356 /nfs/dbraw/zinc/97/03/56/775970356.db2.gz LDTMNSKVUGAOOR-MRXNPFEDSA-N 0 1 276.355 2.682 20 30 CFEDMN C#C[C@H]1CCC[C@H]1Oc1[nH]c(=O)nc2ccccc21 ZINC001226977870 776043174 /nfs/dbraw/zinc/04/31/74/776043174.db2.gz VNUFLXAJGJKRBM-GXFFZTMASA-N 0 1 254.289 2.516 20 30 CFEDMN C#C[C@](C)(CC)NCc1ccc(F)cc1[N+](=O)[O-] ZINC000692718293 776053810 /nfs/dbraw/zinc/05/38/10/776053810.db2.gz ZMEFWBZRLOYUQL-CYBMUJFWSA-N 0 1 250.273 2.625 20 30 CFEDMN C#CCCCCCC(=O)N1CCC[C@@H]1CNCC(=C)Cl ZINC001267960917 776122635 /nfs/dbraw/zinc/12/26/35/776122635.db2.gz RJMVAXUUIFSXMS-OAHLLOKOSA-N 0 1 296.842 2.903 20 30 CFEDMN CC#CCN1CCC(NC(=O)CC2(C)CCCC2)CC1 ZINC001227192583 776132054 /nfs/dbraw/zinc/13/20/54/776132054.db2.gz RTPIKAJFZYVPFN-UHFFFAOYSA-N 0 1 276.424 2.561 20 30 CFEDMN C=CC(C)(C)CC(=O)NC1CCN(C[C@H](F)CC)CC1 ZINC001227561714 776229755 /nfs/dbraw/zinc/22/97/55/776229755.db2.gz CRANFZVANIFEHI-CYBMUJFWSA-N 0 1 284.419 2.917 20 30 CFEDMN C=C(C)CCC(=O)NC1CCN(C/C=C/Cl)CC1 ZINC001227607390 776241209 /nfs/dbraw/zinc/24/12/09/776241209.db2.gz QLEGXTQBASADOG-FPYGCLRLSA-N 0 1 270.804 2.676 20 30 CFEDMN C=C(C)CCC(=O)NC[C@H]1CN(CC(CC)CC)CCO1 ZINC001268025384 776293471 /nfs/dbraw/zinc/29/34/71/776293471.db2.gz PTFWHSBRUCUOQU-INIZCTEOSA-N 0 1 296.455 2.596 20 30 CFEDMN C=C1O[C@@H](CC)C(=O)C1OCc1ccccc1[N+](=O)[O-] ZINC001222760603 776294842 /nfs/dbraw/zinc/29/48/42/776294842.db2.gz SFSLAIXIWOZONG-LBPRGKRZSA-N 0 1 277.276 2.721 20 30 CFEDMN C=C1O[C@H](CC)C(=O)C1Oc1ccc(F)c(OC)c1F ZINC001227891718 776319113 /nfs/dbraw/zinc/31/91/13/776319113.db2.gz NKEPIMVCCTYSSR-SECBINFHSA-N 0 1 284.258 2.962 20 30 CFEDMN C=CCc1ccc(O[C@@H]2CCC[N@@H+](C)C2)c(OC)c1 ZINC001227926749 776332462 /nfs/dbraw/zinc/33/24/62/776332462.db2.gz KFVGHQGPNJNBQG-CQSZACIVSA-N 0 1 261.365 2.897 20 30 CFEDMN C=C(C)CN1CC[C@H]1CNC(=O)[C@H]1CCc2ccccc2C1 ZINC001038755236 776370301 /nfs/dbraw/zinc/37/03/01/776370301.db2.gz MUMKDVRRBRCEHZ-ROUUACIJSA-N 0 1 298.430 2.558 20 30 CFEDMN CC#CCN1CCC(NC(=O)CCc2ccc(C)cc2)CC1 ZINC001228210689 776422610 /nfs/dbraw/zinc/42/26/10/776422610.db2.gz BOGBZVYGGUIHTR-UHFFFAOYSA-N 0 1 298.430 2.532 20 30 CFEDMN C=C(Cl)CNC[C@@H](C)N(C)C(=O)[C@@]1(C)C=CCC1 ZINC001268079085 776543633 /nfs/dbraw/zinc/54/36/33/776543633.db2.gz OTYOKHQQQUPLFX-OCCSQVGLSA-N 0 1 270.804 2.532 20 30 CFEDMN C=C(Cl)CNC[C@H](C)N(C)C(=O)[C@@]1(C)C=CCC1 ZINC001268079084 776544036 /nfs/dbraw/zinc/54/40/36/776544036.db2.gz OTYOKHQQQUPLFX-JSGCOSHPSA-N 0 1 270.804 2.532 20 30 CFEDMN C=C[C@H](C)Oc1nc(C(F)(F)F)cc(O)c1[N+](=O)[O-] ZINC001228862140 776636888 /nfs/dbraw/zinc/63/68/88/776636888.db2.gz LAXQUIFMYFCFAO-YFKPBYRVSA-N 0 1 278.186 2.668 20 30 CFEDMN C[C@H](Oc1nnc2c[nH]ccc1-2)c1ccccc1C#N ZINC001228994610 776682933 /nfs/dbraw/zinc/68/29/33/776682933.db2.gz HHDOBMUWJNYGDW-JTQLQIEISA-N 0 1 264.288 2.970 20 30 CFEDMN C=C1O[C@@H](C)C(=O)C1Oc1cc(Cl)cc(Cl)n1 ZINC001229046817 776700105 /nfs/dbraw/zinc/70/01/05/776700105.db2.gz DEQGGLCJGCQTBE-YFKPBYRVSA-N 0 1 274.103 2.987 20 30 CFEDMN C=CCCCC(=O)N[C@H](C)[C@H](C)NCc1ccc(F)cn1 ZINC001282184673 776710821 /nfs/dbraw/zinc/71/08/21/776710821.db2.gz JMVCHGKZKXRJRK-QWHCGFSZSA-N 0 1 293.386 2.560 20 30 CFEDMN C=CCN1CCC[C@H]1CNC(=O)c1ccc2cccnc2c1 ZINC001028210119 776711572 /nfs/dbraw/zinc/71/15/72/776711572.db2.gz LTSKSKQODFLAPX-INIZCTEOSA-N 0 1 295.386 2.615 20 30 CFEDMN C=CCN1CCC[C@H](NC(=O)[C@H](C=C)c2ccccc2)C1 ZINC001268236183 776714548 /nfs/dbraw/zinc/71/45/48/776714548.db2.gz COGPNVOXBZMGIY-DLBZAZTESA-N 0 1 284.403 2.723 20 30 CFEDMN C=C[C@H](CCCCC)Oc1nc(C)[nH]c(=O)c1[N+](=O)[O-] ZINC001229382468 776797055 /nfs/dbraw/zinc/79/70/55/776797055.db2.gz TWENXAHEVSDOFE-SNVBAGLBSA-N 0 1 281.312 2.913 20 30 CFEDMN CC#C[C@@H](CC)Oc1[nH]c(=O)nc2c(C)cccc21 ZINC001229407425 776802423 /nfs/dbraw/zinc/80/24/23/776802423.db2.gz KUDIDTPGTBALSG-LLVKDONJSA-N 0 1 256.305 2.825 20 30 CFEDMN Cc1nc2[nH]cnc2c(O[C@H](C)CC(C)(C)S)n1 ZINC001229438838 776810985 /nfs/dbraw/zinc/81/09/85/776810985.db2.gz XMFILPLAEWPIMJ-SSDOTTSWSA-N 0 1 266.370 2.527 20 30 CFEDMN CC#CCN1CCC(NC(=O)[C@H](C)CC(C)(C)C)CC1 ZINC001229494235 776829711 /nfs/dbraw/zinc/82/97/11/776829711.db2.gz UOHWBQAMHKKYAM-CQSZACIVSA-N 0 1 278.440 2.663 20 30 CFEDMN C=C(C)CN1CCC[C@@H]1CNC(=O)c1ccc(C(F)F)o1 ZINC001028290885 776830546 /nfs/dbraw/zinc/83/05/46/776830546.db2.gz XMSICYZREDBRFD-LLVKDONJSA-N 0 1 298.333 2.988 20 30 CFEDMN C=C(C)CN1CCC[C@H]1CNC(=O)c1sc(C)nc1C ZINC001028305587 776847001 /nfs/dbraw/zinc/84/70/01/776847001.db2.gz RRALPHUVXOBJBM-ZDUSSCGKSA-N 0 1 293.436 2.530 20 30 CFEDMN C#CCN1CCC[C@H]1CNC(=O)c1ccc(CC(C)C)cc1 ZINC001028307074 776851597 /nfs/dbraw/zinc/85/15/97/776851597.db2.gz UGTSJJSJWVEIGE-SFHVURJKSA-N 0 1 298.430 2.713 20 30 CFEDMN C#CCCCC(=O)NCCN[C@H](C)c1ccc(F)cc1F ZINC001126355647 776854172 /nfs/dbraw/zinc/85/41/72/776854172.db2.gz DUUXWEVENZKOBI-GFCCVEGCSA-N 0 1 294.345 2.535 20 30 CFEDMN CC#CCN1CCC[C@H]1CNC(=O)[C@H]1CCCC(C)(C)C1 ZINC001028339888 776863183 /nfs/dbraw/zinc/86/31/83/776863183.db2.gz FPYNOLKMPBFQKA-HOTGVXAUSA-N 0 1 290.451 2.807 20 30 CFEDMN C=C1O[C@H](C)C(=O)C1Oc1c(F)ccc(F)c1OC ZINC001229655435 776866069 /nfs/dbraw/zinc/86/60/69/776866069.db2.gz KZWOYEJCRWDMGJ-ZCFIWIBFSA-N 0 1 270.231 2.572 20 30 CFEDMN C=C1O[C@@H](C)C(=O)C1Oc1c(F)ccc(F)c1OC ZINC001229655434 776866314 /nfs/dbraw/zinc/86/63/14/776866314.db2.gz KZWOYEJCRWDMGJ-LURJTMIESA-N 0 1 270.231 2.572 20 30 CFEDMN C=C(C)CN1CCC[C@@H]1CNC(=O)c1ccc(F)s1 ZINC001028345713 776867483 /nfs/dbraw/zinc/86/74/83/776867483.db2.gz OANMODZCJRTACU-LLVKDONJSA-N 0 1 282.384 2.658 20 30 CFEDMN C=C(C)C(=O)OC[C@@H](C)Oc1ccc(F)cc1CN(C)C ZINC001229855552 776904940 /nfs/dbraw/zinc/90/49/40/776904940.db2.gz ZTBDPRCUXCDPJX-GFCCVEGCSA-N 0 1 295.354 2.774 20 30 CFEDMN C=C(C)CN1CC(CNC(=O)CC2CCCCC2)C1 ZINC001268510327 776911029 /nfs/dbraw/zinc/91/10/29/776911029.db2.gz LCFGLDZSCCQEQI-UHFFFAOYSA-N 0 1 264.413 2.581 20 30 CFEDMN C=C(C)CCC(=O)NC/C=C\CNCc1cnc(C)s1 ZINC001268544170 776926531 /nfs/dbraw/zinc/92/65/31/776926531.db2.gz AWPKSZMTLQYYGI-PLNGDYQASA-N 0 1 293.436 2.570 20 30 CFEDMN CCc1[nH]c(CNCc2cccc(C#N)c2)cc1C(=O)OC ZINC000894172947 776960791 /nfs/dbraw/zinc/96/07/91/776960791.db2.gz VBZJAGLHJDXFCU-UHFFFAOYSA-N 0 1 297.358 2.525 20 30 CFEDMN C=C1O[C@@H](C)C(=O)C1Oc1cc(F)c(C(C)=O)cc1OC ZINC001230269221 776967828 /nfs/dbraw/zinc/96/78/28/776967828.db2.gz YFYQWZOKHCOFKO-QMMMGPOBSA-N 0 1 294.278 2.635 20 30 CFEDMN C=CC[C@@H](Oc1nc(C(=O)OC)c[n-]1)c1ccccc1 ZINC001230281713 776970321 /nfs/dbraw/zinc/97/03/21/776970321.db2.gz FEPIUMUCHNBRHV-CYBMUJFWSA-N 0 1 272.304 2.893 20 30 CFEDMN CC[N@H+]1CC[C@H](Oc2cccc(Br)c2C#N)C1 ZINC001230322627 776979644 /nfs/dbraw/zinc/97/96/44/776979644.db2.gz YLHNZXJBARHCLC-JTQLQIEISA-N 0 1 295.180 2.794 20 30 CFEDMN C=C[C@@](C)(CC)C(=O)N[C@@H](C)CNCc1ncc(C)s1 ZINC001268702807 777025189 /nfs/dbraw/zinc/02/51/89/777025189.db2.gz DPJVOFWBBGXHKQ-NHYWBVRUSA-N 0 1 295.452 2.648 20 30 CFEDMN C=CCCCN1CC[C@H]1CN(C)C(=O)c1cccs1 ZINC001230646274 777034468 /nfs/dbraw/zinc/03/44/68/777034468.db2.gz KPDHHAAUUKYPFI-ZDUSSCGKSA-N 0 1 278.421 2.861 20 30 CFEDMN C=CCCCN1CC[C@@H]1CN(C)C(=O)c1cccs1 ZINC001230646273 777034327 /nfs/dbraw/zinc/03/43/27/777034327.db2.gz KPDHHAAUUKYPFI-CYBMUJFWSA-N 0 1 278.421 2.861 20 30 CFEDMN CC[C@@H]1CN(Cc2csc(C#N)c2)CCCO1 ZINC000894243462 777059489 /nfs/dbraw/zinc/05/94/89/777059489.db2.gz JEAJYVOOGKUIGE-GFCCVEGCSA-N 0 1 250.367 2.621 20 30 CFEDMN CC[C@H]1CN(Cc2csc(C#N)c2)CCCO1 ZINC000894243463 777059721 /nfs/dbraw/zinc/05/97/21/777059721.db2.gz JEAJYVOOGKUIGE-LBPRGKRZSA-N 0 1 250.367 2.621 20 30 CFEDMN C#CCCCCC(=O)NCC1CN(Cc2ccc(C)cc2)C1 ZINC001268822790 777062461 /nfs/dbraw/zinc/06/24/61/777062461.db2.gz KSBFCHNVJHCNRJ-UHFFFAOYSA-N 0 1 298.430 2.737 20 30 CFEDMN C#CCCCC(=O)N[C@@H]1CCN(C/C=C\c2ccccc2)C1 ZINC001269121610 777106235 /nfs/dbraw/zinc/10/62/35/777106235.db2.gz GNWHGZUDUOZWNY-IBWPDUFMSA-N 0 1 296.414 2.694 20 30 CFEDMN O=C1C=C[C@@H](Oc2nc3cc(Cl)nc(Cl)c3[nH]2)C1 ZINC001231050547 777125308 /nfs/dbraw/zinc/12/53/08/777125308.db2.gz UGYYONLJHSGBLU-ZCFIWIBFSA-N 0 1 284.102 2.541 20 30 CFEDMN Cc1cc[nH]c2nc(O[C@@H](C)C#C[Si](C)(C)C)nc1-2 ZINC001231063878 777129847 /nfs/dbraw/zinc/12/98/47/777129847.db2.gz TXPWMKUOZLFARU-NSHDSACASA-N 0 1 273.412 2.914 20 30 CFEDMN C#C[C@H]1CCC[C@H]1Oc1[nH]c(=O)nc2cccc(F)c21 ZINC001231074089 777133122 /nfs/dbraw/zinc/13/31/22/777133122.db2.gz KQTGBAUPXDQMGP-JOYOIKCWSA-N 0 1 272.279 2.655 20 30 CFEDMN CCc1ccccc1CN1CC[C@@H]1CNC(=O)C#CC(C)C ZINC001269230147 777145619 /nfs/dbraw/zinc/14/56/19/777145619.db2.gz WROCDUUYOMDJAH-GOSISDBHSA-N 0 1 298.430 2.599 20 30 CFEDMN C=C(C)CCC(=O)N(C)[C@@H]1CCN(C[C@@H](F)CC)C1 ZINC001269246406 777150220 /nfs/dbraw/zinc/15/02/20/777150220.db2.gz XOPZBCNKMKWTQP-UONOGXRCSA-N 0 1 270.392 2.624 20 30 CFEDMN C=C(C)CN1CC[C@H]1CNC(=O)C[C@@H](C)CC(C)C ZINC001269330863 777172905 /nfs/dbraw/zinc/17/29/05/777172905.db2.gz GIBPGHYYEUMDOX-GJZGRUSLSA-N 0 1 266.429 2.825 20 30 CFEDMN C#CCCN1CC[C@@H]1CNC(=O)CCCC1CCCC1 ZINC001269350894 777177294 /nfs/dbraw/zinc/17/72/94/777177294.db2.gz LFNGBGGJIZZTDE-MRXNPFEDSA-N 0 1 276.424 2.561 20 30 CFEDMN C=C(Cl)CNC1(CNC(=O)C[C@H]2C=CCCC2)CC1 ZINC001269432642 777189204 /nfs/dbraw/zinc/18/92/04/777189204.db2.gz KBRUNJNGGBICFH-ZDUSSCGKSA-N 0 1 282.815 2.724 20 30 CFEDMN C=CCCCC[N@H+](C)Cc1cc(C(=O)[O-])ccc1O ZINC001231566121 777260467 /nfs/dbraw/zinc/26/04/67/777260467.db2.gz RELZFQUKUZHBKG-UHFFFAOYSA-N 0 1 263.337 2.879 20 30 CFEDMN N#C[C@@H]1CCN(Cc2c(O)ccc3ccccc32)C1 ZINC001231589351 777269155 /nfs/dbraw/zinc/26/91/55/777269155.db2.gz CPSOWJRDIKLGIC-LBPRGKRZSA-N 0 1 252.317 2.891 20 30 CFEDMN C[C@H](C#N)N(C)Cc1n[nH]c2cc(Br)ccc21 ZINC001231615815 777280878 /nfs/dbraw/zinc/28/08/78/777280878.db2.gz QMRRBJTWGDWGOS-MRVPVSSYSA-N 0 1 293.168 2.669 20 30 CFEDMN COc1cc(C#N)ccc1CN1CCC[C@@H](C#N)CC1 ZINC001231619987 777280917 /nfs/dbraw/zinc/28/09/17/777280917.db2.gz NOVWNNLABXNSQZ-CYBMUJFWSA-N 0 1 269.348 2.693 20 30 CFEDMN C#Cc1cccc(CN2CC[C@@](O)(C(F)(F)F)[C@H](C)C2)c1 ZINC001231655834 777293779 /nfs/dbraw/zinc/29/37/79/777293779.db2.gz BZORXOKPYYVIJX-DOMZBBRYSA-N 0 1 297.320 2.803 20 30 CFEDMN C#Cc1cccc(CN2CCc3cc(O)ccc3C2)c1 ZINC001231654804 777294694 /nfs/dbraw/zinc/29/46/94/777294694.db2.gz FECMCSFTVXZZDM-UHFFFAOYSA-N 0 1 263.340 2.932 20 30 CFEDMN C#Cc1cccc(CN(C)Cc2cnc3ccccn23)c1 ZINC001231658248 777296457 /nfs/dbraw/zinc/29/64/57/777296457.db2.gz SMSRYBPTQNSKBW-UHFFFAOYSA-N 0 1 275.355 2.948 20 30 CFEDMN N#CCCNC(=O)c1cccc2nc(-c3cccs3)[nH]c21 ZINC000427615924 777302053 /nfs/dbraw/zinc/30/20/53/777302053.db2.gz RFDRZGHWZHEJED-UHFFFAOYSA-N 0 1 296.355 2.935 20 30 CFEDMN Cc1ccc(O)c(CN2CCc3ccc(C#N)cc3C2)n1 ZINC001231669745 777303687 /nfs/dbraw/zinc/30/36/87/777303687.db2.gz NNBHGAUWABYETO-UHFFFAOYSA-N 0 1 279.343 2.526 20 30 CFEDMN C=C1O[C@H](CC)C(=O)C1Oc1ccc([N+](=O)[O-])c(F)c1 ZINC001225916817 777335724 /nfs/dbraw/zinc/33/57/24/777335724.db2.gz WHEAFDWCPBWQNM-LLVKDONJSA-N 0 1 281.239 2.722 20 30 CFEDMN C=C[C@@H](CC)CC(=O)NC1(C)CCN(CCF)CC1 ZINC001270242398 777338579 /nfs/dbraw/zinc/33/85/79/777338579.db2.gz BBWTZQAPHSUZEW-ZDUSSCGKSA-N 0 1 270.392 2.529 20 30 CFEDMN COc1cc(N(C)C)ccc1C[N@H+]1CCC[C@H](C#N)CC1 ZINC001231853062 777352541 /nfs/dbraw/zinc/35/25/41/777352541.db2.gz DPYZEEGEHUOEFG-AWEZNQCLSA-N 0 1 287.407 2.887 20 30 CFEDMN C=CC(C)(C)C(=O)NC[C@H](C)CN[C@H](C)c1ncc(C)o1 ZINC001270478140 777391295 /nfs/dbraw/zinc/39/12/95/777391295.db2.gz MODHCSSGDGTWJO-DGCLKSJQSA-N 0 1 293.411 2.598 20 30 CFEDMN C=CCCCCCN1CCO[C@H](CNC(=O)C=C(C)C)C1 ZINC001270619091 777423779 /nfs/dbraw/zinc/42/37/79/777423779.db2.gz AMXCMEZUGSVGAQ-MRXNPFEDSA-N 0 1 294.439 2.516 20 30 CFEDMN C=CCC[C@@H](C)N1CCO[C@H](CNC(=O)CCC(C)C)C1 ZINC001270621335 777424883 /nfs/dbraw/zinc/42/48/83/777424883.db2.gz XXOQCVRTTQBCGC-HZPDHXFCSA-N 0 1 296.455 2.594 20 30 CFEDMN N#C[C@H]1CCCN(Cc2cc3ccncc3[nH]2)CC1 ZINC001232094164 777438058 /nfs/dbraw/zinc/43/80/58/777438058.db2.gz LBTRLVMWQUZLJV-LBPRGKRZSA-N 0 1 254.337 2.689 20 30 CFEDMN N#Cc1ccc(CN2CCCC[C@@H]2CO)cc1Cl ZINC001232110673 777442441 /nfs/dbraw/zinc/44/24/41/777442441.db2.gz RIQMRJRKYWAPHH-CYBMUJFWSA-N 0 1 264.756 2.558 20 30 CFEDMN N#Cc1ccc(CN2CC[C@@H]3COC[C@@H]3C2)cc1Cl ZINC001232112153 777444527 /nfs/dbraw/zinc/44/45/27/777444527.db2.gz PWYSAWVAPUPPGQ-KGLIPLIRSA-N 0 1 276.767 2.680 20 30 CFEDMN C#C[C@H]1CCC[N@H+](Cc2cc(Cl)c(OC)cc2O)C1 ZINC001232269762 777501614 /nfs/dbraw/zinc/50/16/14/777501614.db2.gz JYXAYTVBJXIJIR-NSHDSACASA-N 0 1 279.767 2.899 20 30 CFEDMN C#C[C@H]1CCC[N@@H+](Cc2cc(Cl)c(OC)cc2[O-])C1 ZINC001232269762 777501618 /nfs/dbraw/zinc/50/16/18/777501618.db2.gz JYXAYTVBJXIJIR-NSHDSACASA-N 0 1 279.767 2.899 20 30 CFEDMN C#C[C@H]1CCC[N@H+](Cc2cc(Cl)c(OC)cc2[O-])C1 ZINC001232269762 777501622 /nfs/dbraw/zinc/50/16/22/777501622.db2.gz JYXAYTVBJXIJIR-NSHDSACASA-N 0 1 279.767 2.899 20 30 CFEDMN COCc1ccc(CN2CCC3SC(=O)C=C3C2)cc1 ZINC001232299639 777509195 /nfs/dbraw/zinc/50/91/95/777509195.db2.gz GUDBIYFKOJEJLN-OAHLLOKOSA-N 0 1 289.400 2.607 20 30 CFEDMN N#Cc1ccc(F)c(N(C(=N)N)c2ccc(F)cc2)c1 ZINC001167990885 777520931 /nfs/dbraw/zinc/52/09/31/777520931.db2.gz BEXGRMCPDSLZGP-UHFFFAOYSA-N 0 1 272.258 2.868 20 30 CFEDMN COc1ccc(CN2[C@@H]3CC[C@H]2C[C@H](C#N)C3)c(C)n1 ZINC001232336665 777526449 /nfs/dbraw/zinc/52/64/49/777526449.db2.gz SSJKEAGWKADBMM-XMQYKBBCSA-N 0 1 271.364 2.665 20 30 CFEDMN C#CCN(C)Cc1ccccc1CNC(=O)/C(C)=C\CC ZINC001280314918 777562126 /nfs/dbraw/zinc/56/21/26/777562126.db2.gz FFPBTCYKPOIZRW-DHDCSXOGSA-N 0 1 284.403 2.724 20 30 CFEDMN CCN(Cc1ccc(OC)cc1)Cc1cc(C#N)ccn1 ZINC001232480444 777576275 /nfs/dbraw/zinc/57/62/75/777576275.db2.gz XCTXSQBUAUKALR-UHFFFAOYSA-N 0 1 281.359 2.984 20 30 CFEDMN CN(C)c1ccc(CN(C)Cc2cc(C#N)ccn2)cc1 ZINC001232480386 777576520 /nfs/dbraw/zinc/57/65/20/777576520.db2.gz VAWWXRNWYATRPF-UHFFFAOYSA-N 0 1 280.375 2.651 20 30 CFEDMN CC#CCN1CC[C@H](NC(=O)c2cscc2C)[C@H]1CC ZINC001087534772 777610480 /nfs/dbraw/zinc/61/04/80/777610480.db2.gz JDFLIKTUGCWVBR-LSDHHAIUSA-N 0 1 290.432 2.663 20 30 CFEDMN N#Cc1ccc([O-])c(C[N@H+]2CCC[C@H]2c2cccnc2)c1 ZINC001232673713 777636908 /nfs/dbraw/zinc/63/69/08/777636908.db2.gz LRPMVTWEYXNNKZ-INIZCTEOSA-N 0 1 279.343 2.996 20 30 CFEDMN CC(C)[N@@H+](CCCCCO)Cc1cc(C#N)ccc1[O-] ZINC001232677975 777637842 /nfs/dbraw/zinc/63/78/42/777637842.db2.gz NKARCEUIQHBZJS-UHFFFAOYSA-N 0 1 276.380 2.637 20 30 CFEDMN C=C(C)C(C)(C)C(=O)N(C)[C@H](C)CNCc1ocnc1C ZINC001271060703 777639768 /nfs/dbraw/zinc/63/97/68/777639768.db2.gz YMCJNWCAPRHNGH-GFCCVEGCSA-N 0 1 293.411 2.522 20 30 CFEDMN C=CCC1(C(=O)N(C)[C@@H](C)CNCC(=C)Cl)CCC1 ZINC001271092641 777648345 /nfs/dbraw/zinc/64/83/45/777648345.db2.gz KSUNAYKCAGHMNS-ZDUSSCGKSA-N 0 1 284.831 2.922 20 30 CFEDMN C=CCN1CC[C@H](NC(=O)c2ccc(CC)o2)[C@H]1CC ZINC001087626684 777669048 /nfs/dbraw/zinc/66/90/48/777669048.db2.gz NCELXXRDUWCQIX-UONOGXRCSA-N 0 1 276.380 2.611 20 30 CFEDMN CC#CCN1CC[C@H](NC(=O)[C@@H]2C[C@H]2C(C)(C)C)[C@H]1CC ZINC001087654198 777671841 /nfs/dbraw/zinc/67/18/41/777671841.db2.gz OZLDWLOPIZMLBO-LVQVYYBASA-N 0 1 290.451 2.661 20 30 CFEDMN COc1cc(O)cc(CN2CCC[C@@H](C#N)CC2)c1 ZINC001232804861 777675559 /nfs/dbraw/zinc/67/55/59/777675559.db2.gz LYTCRTOQSXKLCY-GFCCVEGCSA-N 0 1 260.337 2.526 20 30 CFEDMN CC#CCN1CC[C@H](NC(=O)C(C)(C)C2CCC2)[C@H]1CC ZINC001087675708 777676488 /nfs/dbraw/zinc/67/64/88/777676488.db2.gz ZPXGKMYJTFHUFK-JKSUJKDBSA-N 0 1 290.451 2.805 20 30 CFEDMN CCCO[C@@H]1CCN(Cc2ccc(C#N)s2)C1 ZINC001232843787 777689780 /nfs/dbraw/zinc/68/97/80/777689780.db2.gz COKRUEMBPPXKAO-LLVKDONJSA-N 0 1 250.367 2.621 20 30 CFEDMN C=CC(C)(C)C(=O)N1C[C@H]2CC[C@@H](C1)N2CC=C(C)C ZINC001029422256 777701736 /nfs/dbraw/zinc/70/17/36/777701736.db2.gz ZMGYAZNUOSTZIZ-GASCZTMLSA-N 0 1 276.424 2.840 20 30 CFEDMN C[C@@H]1CCN(Cc2cc(F)ccc2C#N)CC[C@]1(C)O ZINC001232889004 777710516 /nfs/dbraw/zinc/71/05/16/777710516.db2.gz YQMZHFLMVSXYQA-WBMJQRKESA-N 0 1 276.355 2.680 20 30 CFEDMN C=CCN1CC[C@H](NC(=O)c2scnc2Cl)[C@H]1CC ZINC001087831347 777712484 /nfs/dbraw/zinc/71/24/84/777712484.db2.gz GWQLLOAVALUKPX-VHSXEESVSA-N 0 1 299.827 2.565 20 30 CFEDMN C#CCN1CC[C@H](NC(=O)[C@@]2(C)CC=C(C)CC2)[C@H]1CC ZINC001087837350 777714987 /nfs/dbraw/zinc/71/49/87/777714987.db2.gz FYWIGEJNFBIQSC-JZXOWHBKSA-N 0 1 288.435 2.725 20 30 CFEDMN C#CCN1CC[C@H](NC(=O)[C@@H](C)c2ccccc2C)[C@H]1CC ZINC001087837912 777715746 /nfs/dbraw/zinc/71/57/46/777715746.db2.gz JBKDQQQMROKWQL-RYQLBKOJSA-N 0 1 298.430 2.701 20 30 CFEDMN CC#CC[C@@H](CC)Oc1[nH]c(=O)nc2ccccc21 ZINC001226977124 777716433 /nfs/dbraw/zinc/71/64/33/777716433.db2.gz MYJCEYULUDINOE-LLVKDONJSA-N 0 1 256.305 2.906 20 30 CFEDMN Cc1ccc(CN2CCC(C(C)(C)C(N)=O)CC2)c(C#N)c1 ZINC001232967550 777742316 /nfs/dbraw/zinc/74/23/16/777742316.db2.gz QBAAPOYBHDCSRT-UHFFFAOYSA-N 0 1 299.418 2.590 20 30 CFEDMN Cc1ccc(CN2CCC(n3cccn3)CC2)c(C#N)c1 ZINC001232967475 777743373 /nfs/dbraw/zinc/74/33/73/777743373.db2.gz NIGLXSIEOHMHFL-UHFFFAOYSA-N 0 1 280.375 2.900 20 30 CFEDMN CCOC[C@@]12CCC[C@@H]1CN(Cc1[nH]ccc1C#N)C2 ZINC001233043902 777774455 /nfs/dbraw/zinc/77/44/55/777774455.db2.gz NTEIWKAAVRKMKD-ZBFHGGJFSA-N 0 1 273.380 2.525 20 30 CFEDMN Cc1cc(C#N)ccc1CN1CCOC[C@@H]1C(C)C ZINC001233082376 777791605 /nfs/dbraw/zinc/79/16/05/777791605.db2.gz KJYSHMMZZOPZLL-MRXNPFEDSA-N 0 1 258.365 2.724 20 30 CFEDMN Cc1cc(C#N)ccc1CN1CCN(c2cccnc2)CC1 ZINC001233080604 777791835 /nfs/dbraw/zinc/79/18/35/777791835.db2.gz PXNKLTSPKWZJOR-UHFFFAOYSA-N 0 1 292.386 2.584 20 30 CFEDMN CN(C)c1ccc(CN2CCC[C@H](CF)C2)c(F)c1C#N ZINC001233100710 777794874 /nfs/dbraw/zinc/79/48/74/777794874.db2.gz MKFHSZJDQRJHLM-GFCCVEGCSA-N 0 1 293.361 2.945 20 30 CFEDMN C[C@@H](CC(F)(F)CN)c1nc(-c2cccc(C#N)c2)no1 ZINC001211895882 777862069 /nfs/dbraw/zinc/86/20/69/777862069.db2.gz OSNQIKBKFHWQRH-VIFPVBQESA-N 0 1 292.289 2.696 20 30 CFEDMN Cc1ncc(CN2CCC[C@@H](Oc3ccc(C#N)cc3)C2)o1 ZINC001233368208 777915222 /nfs/dbraw/zinc/91/52/22/777915222.db2.gz CRAPNWCUPAYVAW-MRXNPFEDSA-N 0 1 297.358 2.898 20 30 CFEDMN N#Cc1ccc(C[N@H+]2CC[C@H](c3ccccn3)C2)c([O-])c1 ZINC001233386010 777926501 /nfs/dbraw/zinc/92/65/01/777926501.db2.gz BCSXGNIHADFJQH-AWEZNQCLSA-N 0 1 279.343 2.648 20 30 CFEDMN N#Cc1ccc(C[N@H+]2CCC[C@@H]2c2ccncc2)c([O-])c1 ZINC001233386126 777927567 /nfs/dbraw/zinc/92/75/67/777927567.db2.gz HCIWXMKRLFVIPC-MRXNPFEDSA-N 0 1 279.343 2.996 20 30 CFEDMN C#CCCCC(=O)N(C)C[C@H]1CC[N@H+]1Cc1ccccc1 ZINC001233966825 778125868 /nfs/dbraw/zinc/12/58/68/778125868.db2.gz QQGDWADEGBLRFJ-QGZVFWFLSA-N 0 1 284.403 2.523 20 30 CFEDMN C#CCCCC(=O)N(C)C[C@H]1CCN1Cc1ccccc1 ZINC001233966825 778125871 /nfs/dbraw/zinc/12/58/71/778125871.db2.gz QQGDWADEGBLRFJ-QGZVFWFLSA-N 0 1 284.403 2.523 20 30 CFEDMN C=C(C)CN1CC[C@H]1CN(C)C(=O)[C@H](C)CCCC ZINC001234040183 778149456 /nfs/dbraw/zinc/14/94/56/778149456.db2.gz UOSHBUVTCLBEDA-CABCVRRESA-N 0 1 266.429 2.922 20 30 CFEDMN C=C(Cl)CN[C@@H]1CCN(C(=O)c2c(C)coc2C)[C@@H]1C ZINC000986233094 778159637 /nfs/dbraw/zinc/15/96/37/778159637.db2.gz UBOXMTNQJUUZCV-DGCLKSJQSA-N 0 1 296.798 2.842 20 30 CFEDMN Cc1ccccc1CN1CC[C@H]1CN(C)C(=O)C#CC(C)C ZINC001234117800 778170041 /nfs/dbraw/zinc/17/00/41/778170041.db2.gz CYOYPKLBIOJRRQ-SFHVURJKSA-N 0 1 298.430 2.687 20 30 CFEDMN C=CCCC(C)(C)CNC(=O)N1CCN(C)C(C)(C)C1 ZINC001234236955 778190773 /nfs/dbraw/zinc/19/07/73/778190773.db2.gz LONIVPMAGQEODV-UHFFFAOYSA-N 0 1 281.444 2.714 20 30 CFEDMN C=CC[N@@H+]1CC[C@H]1CN(C)C(=O)CCO[C@@H](C)CC(C)C ZINC001234255312 778194234 /nfs/dbraw/zinc/19/42/34/778194234.db2.gz LMXNDXUZMGJEDV-HOTGVXAUSA-N 0 1 296.455 2.546 20 30 CFEDMN C=CCN1CC[C@H]1CN(C)C(=O)CCO[C@@H](C)CC(C)C ZINC001234255312 778194239 /nfs/dbraw/zinc/19/42/39/778194239.db2.gz LMXNDXUZMGJEDV-HOTGVXAUSA-N 0 1 296.455 2.546 20 30 CFEDMN C=C[C@H](CC)CC(=O)NC1CCN(C[C@H](F)CC)CC1 ZINC001228809936 778199066 /nfs/dbraw/zinc/19/90/66/778199066.db2.gz NIHWTPHZCQAQRV-ZIAGYGMSSA-N 0 1 284.419 2.917 20 30 CFEDMN C=C(C)CN1CC[C@H](NC(=O)c2sccc2F)[C@H]1C ZINC001088554500 778234999 /nfs/dbraw/zinc/23/49/99/778234999.db2.gz NEOFTCHLIHCZOG-PWSUYJOCSA-N 0 1 282.384 2.656 20 30 CFEDMN C#CCN1CC=C(CCNC(=O)C(CC)(CC)CC)CC1 ZINC001161567745 778237087 /nfs/dbraw/zinc/23/70/87/778237087.db2.gz XVTREWHIHQUNPB-UHFFFAOYSA-N 0 1 290.451 2.974 20 30 CFEDMN CC(C)[C@@H](C)Oc1[nH]c(=O)nc2cccc(C#N)c21 ZINC001234511126 778240867 /nfs/dbraw/zinc/24/08/67/778240867.db2.gz JUCVVLKCGMCSMN-SECBINFHSA-N 0 1 257.293 2.630 20 30 CFEDMN CC#CC[C@@H](CC)Oc1nc(C)[nH]c(=O)c1Br ZINC001234567102 778253132 /nfs/dbraw/zinc/25/31/32/778253132.db2.gz CNVDRXKWDHPLCR-SECBINFHSA-N 0 1 299.168 2.824 20 30 CFEDMN C=C(C)CCC(=O)N(C)C[C@@H]1CCN1CCOCC(C)C ZINC001234614172 778266533 /nfs/dbraw/zinc/26/65/33/778266533.db2.gz NYIKQFAAVQRVGN-INIZCTEOSA-N 0 1 296.455 2.548 20 30 CFEDMN C=C1O[C@H](C)C(=O)C1Oc1cc(Cl)cc(C(=O)OC)c1 ZINC001234624220 778268358 /nfs/dbraw/zinc/26/83/58/778268358.db2.gz XWVHOICSDDKGSI-SSDOTTSWSA-N 0 1 296.706 2.725 20 30 CFEDMN C=CC[C@H](CCC)Oc1nc(F)nc2nc[nH]c21 ZINC001234689627 778288899 /nfs/dbraw/zinc/28/88/99/778288899.db2.gz ICNRKGLVWBMLGI-MRVPVSSYSA-N 0 1 250.277 2.616 20 30 CFEDMN C=C(Cl)CN[C@H](C)CN(C)C(=O)C(C)(C)C(=C)C ZINC001277899887 778309605 /nfs/dbraw/zinc/30/96/05/778309605.db2.gz JJXSZLCKPSPQRC-GFCCVEGCSA-N 0 1 272.820 2.778 20 30 CFEDMN C[N@H+]1C[C@H]2CCC[C@@H](C1)[C@H]2Oc1ccccc1C=N[O-] ZINC001234823492 778303398 /nfs/dbraw/zinc/30/33/98/778303398.db2.gz ANAGECHRNUGLMU-FOLVSLTJSA-N 0 1 274.364 2.604 20 30 CFEDMN C[N@@H+]1C[C@H]2CCC[C@@H](C1)[C@H]2Oc1ccccc1C=N[O-] ZINC001234823492 778303405 /nfs/dbraw/zinc/30/34/05/778303405.db2.gz ANAGECHRNUGLMU-FOLVSLTJSA-N 0 1 274.364 2.604 20 30 CFEDMN C=CC(C)(C)C(=O)N(C)C[C@@H](C)NCc1nc(C)cs1 ZINC001277907311 778327677 /nfs/dbraw/zinc/32/76/77/778327677.db2.gz LUOBOPKDEVFOBV-LLVKDONJSA-N 0 1 295.452 2.600 20 30 CFEDMN C=C1O[C@H](C)C(=O)C1Oc1cc(Cl)c(OC)cc1OC ZINC001234941817 778335353 /nfs/dbraw/zinc/33/53/53/778335353.db2.gz INRCCCVGJHFOFT-SSDOTTSWSA-N 0 1 298.722 2.955 20 30 CFEDMN C#CCN(C)CCN(C)C(=O)C1(CC(C)C)CCCC1 ZINC001272138124 778361694 /nfs/dbraw/zinc/36/16/94/778361694.db2.gz QGDBASKFXCDLPM-UHFFFAOYSA-N 0 1 278.440 2.616 20 30 CFEDMN CC#CCN(C)CCN(C)C(=O)c1ccc2ccccc2c1 ZINC001272158696 778364932 /nfs/dbraw/zinc/36/49/32/778364932.db2.gz SASDSYBQNOLXTJ-UHFFFAOYSA-N 0 1 294.398 2.867 20 30 CFEDMN C[C@H](C#N)N(C)Cc1cc(Br)cc(F)c1O ZINC001235064447 778368715 /nfs/dbraw/zinc/36/87/15/778368715.db2.gz DLJNILHYWDTBDR-SSDOTTSWSA-N 0 1 287.132 2.638 20 30 CFEDMN C=C1O[C@H](CC)C(=O)C1O[C@H](C)c1nccs1 ZINC001224009364 778391325 /nfs/dbraw/zinc/39/13/25/778391325.db2.gz WXRYBXQCYJAYPM-RKDXNWHRSA-N 0 1 253.323 2.830 20 30 CFEDMN C=C(C)C[N@@H+]1CC[C@@H]1CN(C)C(=O)[C@@H](CC)CC(F)F ZINC001235224562 778420944 /nfs/dbraw/zinc/42/09/44/778420944.db2.gz HMAUEOGWYVCRGN-QWHCGFSZSA-N 0 1 288.382 2.777 20 30 CFEDMN C=C(C)CN1CC[C@@H]1CN(C)C(=O)[C@@H](CC)CC(F)F ZINC001235224562 778420947 /nfs/dbraw/zinc/42/09/47/778420947.db2.gz HMAUEOGWYVCRGN-QWHCGFSZSA-N 0 1 288.382 2.777 20 30 CFEDMN CC(C)N1CC(Nc2ccc3c(ccnc3C#N)c2)C1 ZINC001168317021 778428081 /nfs/dbraw/zinc/42/80/81/778428081.db2.gz DPMULTIQEAQWJU-UHFFFAOYSA-N 0 1 266.348 2.611 20 30 CFEDMN C=CCN1CC[C@H](NC(=O)c2cc(F)ccc2CC)[C@H]1C ZINC001088703735 778445590 /nfs/dbraw/zinc/44/55/90/778445590.db2.gz VFRZNOYKTNEVTA-WBMJQRKESA-N 0 1 290.382 2.767 20 30 CFEDMN CCCC[C@@H](CC)CN1CCO[C@H]2CN(CCC#N)C[C@@H]21 ZINC001277936871 778456121 /nfs/dbraw/zinc/45/61/21/778456121.db2.gz SGHAZPAWCHMRIM-IKGGRYGDSA-N 0 1 293.455 2.501 20 30 CFEDMN CCOc1cc(O)cc(CN2CCC[C@H](CC#N)C2)c1 ZINC001235397547 778474642 /nfs/dbraw/zinc/47/46/42/778474642.db2.gz GKVLPIOUIQCGSO-CYBMUJFWSA-N 0 1 274.364 2.917 20 30 CFEDMN CC[C@H]1OC(C)=C(OCCCO[C@@H]2CCCCO2)C1=O ZINC001224532833 778563956 /nfs/dbraw/zinc/56/39/56/778563956.db2.gz ZGQIDNHRCFUQEG-CHWSQXEVSA-N 0 1 284.352 2.546 20 30 CFEDMN C=CC[N@@H+]1C[C@@H]2CCN(C(=O)C[C@H]3CCCC3(F)F)[C@@H]2C1 ZINC001076174153 778574561 /nfs/dbraw/zinc/57/45/61/778574561.db2.gz AQUCJJYWUXQABM-BFHYXJOUSA-N 0 1 298.377 2.531 20 30 CFEDMN C=CC[N@@H+]1C[C@@H]2CCN(C(=O)[C@@H](C)Cc3ccccc3)[C@@H]2C1 ZINC001076595750 778598103 /nfs/dbraw/zinc/59/81/03/778598103.db2.gz MPGTZPJRUZQGME-RYQLBKOJSA-N 0 1 298.430 2.584 20 30 CFEDMN CN1CCN(c2ccc(-c3ccccc3CS)cn2)CC1 ZINC001235974129 778635129 /nfs/dbraw/zinc/63/51/29/778635129.db2.gz BYMNLQLZIFOGHL-UHFFFAOYSA-N 0 1 299.443 2.930 20 30 CFEDMN COc1cc(-c2c(F)cc(F)c(O)c2F)ncc1C#N ZINC001235985089 778639354 /nfs/dbraw/zinc/63/93/54/778639354.db2.gz IXPRKEHOJDACBK-UHFFFAOYSA-N 0 1 280.205 2.752 20 30 CFEDMN N#Cc1ncc(F)cc1-c1c(F)cc(F)c(O)c1F ZINC001235997594 778647306 /nfs/dbraw/zinc/64/73/06/778647306.db2.gz FROTYFVWWBSIJA-UHFFFAOYSA-N 0 1 268.169 2.882 20 30 CFEDMN N#CCc1cc(-c2c(F)cc(F)c(O)c2F)ccn1 ZINC001236002098 778649370 /nfs/dbraw/zinc/64/93/70/778649370.db2.gz JYKYMCZRLSIMIA-UHFFFAOYSA-N 0 1 264.206 2.938 20 30 CFEDMN COc1ccc(C#N)cc1-c1nccc2c1CCN2 ZINC001236537653 778869262 /nfs/dbraw/zinc/86/92/62/778869262.db2.gz BGBUGXYRODQFNK-UHFFFAOYSA-N 0 1 251.289 2.597 20 30 CFEDMN N#C[C@H]1CCN(Cc2cc3ccccc3cc2O)C1 ZINC001236833959 778959621 /nfs/dbraw/zinc/95/96/21/778959621.db2.gz RJSRDRLHMXEKJL-GFCCVEGCSA-N 0 1 252.317 2.891 20 30 CFEDMN C=CCN1CC[C@H](NC(=O)c2ccc3ccn(C)c3c2)[C@H]1C ZINC001088958040 778961375 /nfs/dbraw/zinc/96/13/75/778961375.db2.gz IUZIPFOMXSCXCZ-CJNGLKHVSA-N 0 1 297.402 2.557 20 30 CFEDMN C=C(C)CCC(=O)N1CCC(c2cc(C)[nH]n2)CC1 ZINC001120714571 778962705 /nfs/dbraw/zinc/96/27/05/778962705.db2.gz LLNJODTZYMYCPV-UHFFFAOYSA-N 0 1 261.369 2.780 20 30 CFEDMN CC#CCN1CC[C@H](NC(=O)C2CCC(C)(C)CC2)[C@H]1C ZINC001089066786 778985925 /nfs/dbraw/zinc/98/59/25/778985925.db2.gz AEUFHZCOPAMVJF-ZBFHGGJFSA-N 0 1 290.451 2.805 20 30 CFEDMN C=CCN1CC[C@H](NC(=O)C2(C)CCC(C)CC2)[C@H]1C ZINC001089067909 778987312 /nfs/dbraw/zinc/98/73/12/778987312.db2.gz BKTPNULYNSZNQV-DGNOSDGRSA-N 0 1 278.440 2.968 20 30 CFEDMN CCCCCCCN1CCN[C@@H](C(F)(F)F)C1 ZINC001236983709 778991042 /nfs/dbraw/zinc/99/10/42/778991042.db2.gz VSFHHKREAJJLGA-LLVKDONJSA-N 0 1 252.324 2.793 20 30 CFEDMN CCCCCCCN1CCN[C@H](C(F)(F)F)C1 ZINC001236983710 778991190 /nfs/dbraw/zinc/99/11/90/778991190.db2.gz VSFHHKREAJJLGA-NSHDSACASA-N 0 1 252.324 2.793 20 30 CFEDMN N#C[C@@H]1CN(Cc2ccc(C3CCC3)cc2)CCC1=O ZINC001237110132 779013115 /nfs/dbraw/zinc/01/31/15/779013115.db2.gz HAGAWYMLQLBYCG-MRXNPFEDSA-N 0 1 268.360 2.869 20 30 CFEDMN C#Cc1ccc(C(=O)NC2CN(CCC3CCCC3)C2)cc1 ZINC001030775712 779018604 /nfs/dbraw/zinc/01/86/04/779018604.db2.gz YCINRCWTCPOFOI-UHFFFAOYSA-N 0 1 296.414 2.662 20 30 CFEDMN CN(Cc1cccc(C#N)c1)Cc1ccccc1OCCO ZINC001237208406 779049702 /nfs/dbraw/zinc/04/97/02/779049702.db2.gz JASBADNNZJMELF-UHFFFAOYSA-N 0 1 296.370 2.561 20 30 CFEDMN C=C1CC(C)(C(=O)NC2CN(CC3CC(C)(C)C3)C2)C1 ZINC001030924430 779104494 /nfs/dbraw/zinc/10/44/94/779104494.db2.gz QVTUQUUYVGFQPW-UHFFFAOYSA-N 0 1 276.424 2.579 20 30 CFEDMN C=CCN1CCN(Cc2ccc(F)c3cccnc23)CC1 ZINC001237432872 779106985 /nfs/dbraw/zinc/10/69/85/779106985.db2.gz XIRPRBKNTMJQKD-UHFFFAOYSA-N 0 1 285.366 2.678 20 30 CFEDMN CCN(Cc1cccc(OC)c1)Cc1ccnc(C#N)c1 ZINC001237461859 779112252 /nfs/dbraw/zinc/11/22/52/779112252.db2.gz BEZMOIPAPMXCQF-UHFFFAOYSA-N 0 1 281.359 2.984 20 30 CFEDMN N#Cc1cc(CN2CCC3(CCC(=O)CC3)CC2)ccn1 ZINC001237469487 779114750 /nfs/dbraw/zinc/11/47/50/779114750.db2.gz VYDJWDSOIDLLHE-UHFFFAOYSA-N 0 1 283.375 2.679 20 30 CFEDMN C[C@H]1CC[C@H](CCC(=O)Nc2cc(C#N)ccc2O)O1 ZINC000176410115 779129599 /nfs/dbraw/zinc/12/95/99/779129599.db2.gz BMLTUJLBBGWVDK-CMPLNLGQSA-N 0 1 274.320 2.550 20 30 CFEDMN C[C@]1(C#N)CCN([C@@H]2CCc3cc(F)ccc3C2)C1 ZINC001168444173 779135785 /nfs/dbraw/zinc/13/57/85/779135785.db2.gz FYOCAAUVWIZKSR-HZPDHXFCSA-N 0 1 258.340 2.919 20 30 CFEDMN N#Cc1ccc2nc(CN3CC[C@@H]4CCC[C@@H]4C3)cn2c1 ZINC001237603533 779140537 /nfs/dbraw/zinc/14/05/37/779140537.db2.gz CJEMIKVFPVKDEN-LSDHHAIUSA-N 0 1 280.375 2.828 20 30 CFEDMN N#Cc1ccc2nc(CN3CCC34CCCC4)cn2c1 ZINC001237603740 779140738 /nfs/dbraw/zinc/14/07/38/779140738.db2.gz GARSGQJVSKPQEV-UHFFFAOYSA-N 0 1 266.348 2.724 20 30 CFEDMN CCc1[nH]ncc1CN(CCC#N)Cc1ccccc1 ZINC001237651015 779155777 /nfs/dbraw/zinc/15/57/77/779155777.db2.gz YCJVRRPNOMZMRV-UHFFFAOYSA-N 0 1 268.364 2.888 20 30 CFEDMN N#Cc1cc(Cl)cc(CN2CCC[C@@](F)(CO)CC2)c1 ZINC001237747211 779173354 /nfs/dbraw/zinc/17/33/54/779173354.db2.gz SHPVTSZSOODSRG-HNNXBMFYSA-N 0 1 296.773 2.898 20 30 CFEDMN CC1(C#N)CN(Cc2cc(F)cc(Cl)c2O)C1 ZINC001237807902 779184385 /nfs/dbraw/zinc/18/43/85/779184385.db2.gz NWBINNLSIKGJHR-UHFFFAOYSA-N 0 1 254.692 2.530 20 30 CFEDMN N#Cc1ccc(CN2CCCC[C@@H](O)C2)c(Cl)c1 ZINC001238079665 779248672 /nfs/dbraw/zinc/24/86/72/779248672.db2.gz GOIVLDVMHLFWPF-CYBMUJFWSA-N 0 1 264.756 2.558 20 30 CFEDMN Cc1cc(C(=O)[O-])ccc1C[N@H+]1CCC[C@H](CC#N)C1 ZINC001238149934 779263403 /nfs/dbraw/zinc/26/34/03/779263403.db2.gz SLWVDFGSXNUYEC-CYBMUJFWSA-N 0 1 272.348 2.819 20 30 CFEDMN C=CCN1CC[C@H]1CN(C)C(=O)C[C@@H]1CCC(F)(F)C1 ZINC001235142794 779318676 /nfs/dbraw/zinc/31/86/76/779318676.db2.gz QWBLYWFQMNPRIQ-STQMWFEESA-N 0 1 286.366 2.531 20 30 CFEDMN C#C[C@@H]1CCCN(Cc2cc(C)cnc2SC)C1 ZINC001238718892 779375208 /nfs/dbraw/zinc/37/52/08/779375208.db2.gz VJUWRIAPDILTQU-CYBMUJFWSA-N 0 1 260.406 2.957 20 30 CFEDMN CCc1cc(C[N@H+]2CCCC3(COC3)C2)ccc1C#N ZINC001238761738 779383650 /nfs/dbraw/zinc/38/36/50/779383650.db2.gz WJUJFBWUSOCLTL-UHFFFAOYSA-N 0 1 270.376 2.733 20 30 CFEDMN CCc1cc(CN2CCC(C#N)CC2)ccc1C#N ZINC001238767701 779385380 /nfs/dbraw/zinc/38/53/80/779385380.db2.gz YTBKLYHRNUHNSX-UHFFFAOYSA-N 0 1 253.349 2.856 20 30 CFEDMN C#CCN1CC(C)(C)CC[C@H]1CNC(=O)CCC1(C)CC1 ZINC001099291589 779413595 /nfs/dbraw/zinc/41/35/95/779413595.db2.gz KMYYKHNHYNRHBJ-HNNXBMFYSA-N 0 1 290.451 2.807 20 30 CFEDMN CCCCCCCCNC(=O)N1C[C@@H](C)N[C@@H](C)C1 ZINC001239287964 779502061 /nfs/dbraw/zinc/50/20/61/779502061.db2.gz JOQSYZODCUVWRP-OKILXGFUSA-N 0 1 269.433 2.739 20 30 CFEDMN CCCCCCCCOC(=O)N1CCNC[C@@H]1C ZINC001239331605 779520998 /nfs/dbraw/zinc/52/09/98/779520998.db2.gz NIHKDIVTLDAKHD-ZDUSSCGKSA-N 0 1 256.390 2.777 20 30 CFEDMN C#CCN1CC(C)(C)CC[C@@H]1CNC(=O)C1C=CC=CC=C1 ZINC001089648168 779553146 /nfs/dbraw/zinc/55/31/46/779553146.db2.gz HJVOPSDVCWQWMD-QGZVFWFLSA-N 0 1 298.430 2.525 20 30 CFEDMN CCOc1ccc(-c2cc3[nH]cnc3c(C#N)n2)cc1 ZINC001239562505 779630187 /nfs/dbraw/zinc/63/01/87/779630187.db2.gz SBHULSNFTAHELZ-UHFFFAOYSA-N 0 1 264.288 2.895 20 30 CFEDMN CC#CCN(C)C[C@@H]1CCCN1C(=O)c1ccc(C)cc1C ZINC001281967418 779632202 /nfs/dbraw/zinc/63/22/02/779632202.db2.gz DZRLCFXTKIFUJH-KRWDZBQOSA-N 0 1 298.430 2.863 20 30 CFEDMN COc1ccc(CN2CC[C@](C)(C#N)C2)c(O)c1Cl ZINC001236809189 779641858 /nfs/dbraw/zinc/64/18/58/779641858.db2.gz KDZPSSDPQITTHU-CQSZACIVSA-N 0 1 280.755 2.790 20 30 CFEDMN C=C(C)CN1CC(CNC(=O)c2ccn(C(C)C)c2C)C1 ZINC001031917035 779672069 /nfs/dbraw/zinc/67/20/69/779672069.db2.gz MEJWYKYQKIZGHI-UHFFFAOYSA-N 0 1 289.423 2.615 20 30 CFEDMN C=C(C)CN1CC(CNC(=O)c2c(C)cccc2C)C1 ZINC001032000643 779703031 /nfs/dbraw/zinc/70/30/31/779703031.db2.gz RMQGFOHSXATAIZ-UHFFFAOYSA-N 0 1 272.392 2.541 20 30 CFEDMN N#Cc1nc(-c2cccc(F)c2F)cc2[nH]cnc21 ZINC001239703508 779718024 /nfs/dbraw/zinc/71/80/24/779718024.db2.gz ALFULKZJLHEXHN-UHFFFAOYSA-N 0 1 256.215 2.775 20 30 CFEDMN C=C(C)CN1CC(CNC(=O)c2cccc(C)c2Cl)C1 ZINC001032059127 779725767 /nfs/dbraw/zinc/72/57/67/779725767.db2.gz KGVUSIFGEHWZFZ-UHFFFAOYSA-N 0 1 292.810 2.886 20 30 CFEDMN C=C(C)CN1CC(CNC(=O)c2cc(CC)c(CC)o2)C1 ZINC001032131684 779745001 /nfs/dbraw/zinc/74/50/01/779745001.db2.gz RZJUTZOJNUDNJF-UHFFFAOYSA-N 0 1 290.407 2.642 20 30 CFEDMN C=C(C)CN1CC(CNC(=O)c2c(F)cccc2Cl)C1 ZINC001032143183 779746197 /nfs/dbraw/zinc/74/61/97/779746197.db2.gz PEEWOHGMLPZAKC-UHFFFAOYSA-N 0 1 296.773 2.717 20 30 CFEDMN C=CCN1CC(CNC(=O)c2ccccc2C2CCC2)C1 ZINC001032158750 779749755 /nfs/dbraw/zinc/74/97/55/779749755.db2.gz NXELJGCPMLXXKK-UHFFFAOYSA-N 0 1 284.403 2.802 20 30 CFEDMN C=CCN1CC(CNC(=O)c2cc(C)n(C(C)C)c2C)C1 ZINC001032175995 779750362 /nfs/dbraw/zinc/75/03/62/779750362.db2.gz IQHMJQZHKWXMBV-UHFFFAOYSA-N 0 1 289.423 2.533 20 30 CFEDMN C#CCCN1CC(CNC(=O)c2ccc(C(C)C)s2)C1 ZINC001032212877 779768648 /nfs/dbraw/zinc/76/86/48/779768648.db2.gz RDRAQYRUIMBCQT-UHFFFAOYSA-N 0 1 290.432 2.556 20 30 CFEDMN CN1CCC(C#N)(NC(=O)/C(F)=C/C2CCCCC2)CC1 ZINC001127794204 779858716 /nfs/dbraw/zinc/85/87/16/779858716.db2.gz VPQINZGZACNPSZ-KAMYIIQDSA-N 0 1 293.386 2.524 20 30 CFEDMN N#Cc1c(F)cc(-c2cncc3nc[nH]c32)cc1F ZINC001239920472 779859307 /nfs/dbraw/zinc/85/93/07/779859307.db2.gz KHFDQAMPXRHIRD-UHFFFAOYSA-N 0 1 256.215 2.775 20 30 CFEDMN CCCCCCCN1CCO[C@](C)(CNC(=O)CC)C1 ZINC001107666914 779876509 /nfs/dbraw/zinc/87/65/09/779876509.db2.gz FPZBCDXXJGEXTD-MRXNPFEDSA-N 0 1 284.444 2.574 20 30 CFEDMN C=CCCCCCN1CCO[C@](C)(CNC(=O)CCC)C1 ZINC001107688367 779880566 /nfs/dbraw/zinc/88/05/66/779880566.db2.gz BIFDILYYJHLGDQ-QGZVFWFLSA-N 0 1 296.455 2.740 20 30 CFEDMN C=CCC[C@H](C)[N@H+]1CCO[C@](C)(CNC(=O)C=C(C)C)C1 ZINC001107709643 779885475 /nfs/dbraw/zinc/88/54/75/779885475.db2.gz GSPARIZDQMWZIX-DOTOQJQBSA-N 0 1 294.439 2.514 20 30 CFEDMN C=CCCC(=O)NC[C@]1(C)CN(CCCC(C)C)CCO1 ZINC001107802759 779901382 /nfs/dbraw/zinc/90/13/82/779901382.db2.gz YXRUFDAIZOETDF-QGZVFWFLSA-N 0 1 296.455 2.596 20 30 CFEDMN C=C(C)CCN1CCO[C@](C)(CNC(=O)C[C@@H](C)CC)C1 ZINC001107901476 779934049 /nfs/dbraw/zinc/93/40/49/779934049.db2.gz QRPDMPVNWREKGZ-DOTOQJQBSA-N 0 1 296.455 2.596 20 30 CFEDMN C[C@@H]1CCC[C@@H]1CC(=O)NCCNCc1ccccc1C#N ZINC001127927027 779944127 /nfs/dbraw/zinc/94/41/27/779944127.db2.gz AAPWLFADVNPUES-HUUCEWRRSA-N 0 1 299.418 2.590 20 30 CFEDMN CN(Cc1cccc(C#N)c1)Cc1cccn2ccnc12 ZINC001142960388 779961342 /nfs/dbraw/zinc/96/13/42/779961342.db2.gz NEMQWXGFRNAIMF-UHFFFAOYSA-N 0 1 276.343 2.838 20 30 CFEDMN C=C(C)CN1C[C@@H]2C[C@H]1CN2C(=O)[C@@H](C)C(C)(C)C ZINC001032476891 779971310 /nfs/dbraw/zinc/97/13/10/779971310.db2.gz ZRFMBWAPBSBEFY-RDBSUJKOSA-N 0 1 264.413 2.530 20 30 CFEDMN Cc1nc2c[nH]cc(-c3ccc(C#N)c(F)c3)c-2n1 ZINC001240160765 779979824 /nfs/dbraw/zinc/97/98/24/779979824.db2.gz JFKCEQCHHYBPKE-UHFFFAOYSA-N 0 1 252.252 2.944 20 30 CFEDMN Cc1nc2c(cncc2-c2ccc(C#N)c(F)c2)[nH]1 ZINC001240160765 779979830 /nfs/dbraw/zinc/97/98/30/779979830.db2.gz JFKCEQCHHYBPKE-UHFFFAOYSA-N 0 1 252.252 2.944 20 30 CFEDMN COc1ccc([C@@H]2C[C@@H](N[C@@H](C)CC#N)CCO2)cc1 ZINC001168609473 780043383 /nfs/dbraw/zinc/04/33/83/780043383.db2.gz HIIVSRWCBADUJJ-NOLJZWGESA-N 0 1 274.364 2.807 20 30 CFEDMN C=C(C)CCC(=O)NC[C@@]1(C)CN(CCCCC)CCO1 ZINC001107976674 780051398 /nfs/dbraw/zinc/05/13/98/780051398.db2.gz SLDWISBBVKSHKX-KRWDZBQOSA-N 0 1 296.455 2.740 20 30 CFEDMN C=C(C)CCC(=O)NC[C@@]1(C)CN(CCC(=C)C)CCO1 ZINC001107976794 780051709 /nfs/dbraw/zinc/05/17/09/780051709.db2.gz WOUNGLXMSUVTBK-KRWDZBQOSA-N 0 1 294.439 2.516 20 30 CFEDMN N#Cc1c[nH]c2ccnc(-c3cccc4n[nH]cc43)c12 ZINC001240311588 780068546 /nfs/dbraw/zinc/06/85/46/780068546.db2.gz PMIRVABLAVMCPX-UHFFFAOYSA-N 0 1 259.272 2.978 20 30 CFEDMN C=CCCN1C[C@@H]2C[C@H]1CN2C(=O)[C@@H](F)c1ccccc1 ZINC001032653371 780117999 /nfs/dbraw/zinc/11/79/99/780117999.db2.gz SPINRYTUMCAYNK-JYJNAYRXSA-N 0 1 288.366 2.558 20 30 CFEDMN N#Cc1ccnc(C2=CCCN(Cc3ccccc3)C2)n1 ZINC001240385394 780129024 /nfs/dbraw/zinc/12/90/24/780129024.db2.gz QHYFGWXQNRIXDI-UHFFFAOYSA-N 0 1 276.343 2.638 20 30 CFEDMN C=CCCN1C[C@@H]2C[C@H]1CN2C(=O)c1cc(C)c(CC)o1 ZINC001032728260 780155498 /nfs/dbraw/zinc/15/54/98/780155498.db2.gz TUZHOFIUXKDBQH-KBPBESRZSA-N 0 1 288.391 2.625 20 30 CFEDMN C=CCCN1C[C@@H]2C[C@H]1CN2C(=O)c1ccoc1CCC ZINC001032730811 780157536 /nfs/dbraw/zinc/15/75/36/780157536.db2.gz QUFDASLACGITSU-KBPBESRZSA-N 0 1 288.391 2.707 20 30 CFEDMN C=CCN1C[C@]2(CC1=O)CCCCN2Cc1cncc(C)c1 ZINC001272838509 780169932 /nfs/dbraw/zinc/16/99/32/780169932.db2.gz CHOYXGPDBILOLK-GOSISDBHSA-N 0 1 299.418 2.533 20 30 CFEDMN C=CCCN1C[C@@H]2C[C@H]1CN2C(=O)c1cccc(Cl)c1 ZINC001032747853 780175157 /nfs/dbraw/zinc/17/51/57/780175157.db2.gz NBZZNAJRBXRMOG-GJZGRUSLSA-N 0 1 290.794 2.815 20 30 CFEDMN N#CCc1cc(N[C@H]2CCNc3ccccc32)ccn1 ZINC001168649323 780190676 /nfs/dbraw/zinc/19/06/76/780190676.db2.gz NNYQQXUVQLVBNI-INIZCTEOSA-N 0 1 264.332 2.538 20 30 CFEDMN C=C(C)CN1C[C@@H]2C[C@H]1CN2C(=O)[C@H](C)Cc1ccccc1 ZINC001032793928 780236717 /nfs/dbraw/zinc/23/67/17/780236717.db2.gz KNEBKKJAYNLXDA-NJAFHUGGSA-N 0 1 298.430 2.726 20 30 CFEDMN C=C(C)CN1C[C@@H]2C[C@H]1CN2C(=O)C1CC(C(C)(C)C)C1 ZINC001032812004 780283475 /nfs/dbraw/zinc/28/34/75/780283475.db2.gz WBAJKGONZOKGNR-CKUJCDMFSA-N 0 1 290.451 2.920 20 30 CFEDMN N#Cc1c[nH]c2ccnc(-c3cnc(C4CC4)nc3)c12 ZINC001240684599 780357296 /nfs/dbraw/zinc/35/72/96/780357296.db2.gz NVIHKKREUCZCHB-UHFFFAOYSA-N 0 1 261.288 2.769 20 30 CFEDMN C=C(C)CNC(=O)[C@H]1CC12CCN(Cc1ccoc1)CC2 ZINC001272982971 780439490 /nfs/dbraw/zinc/43/94/90/780439490.db2.gz HYWATIOYTZNVAF-OAHLLOKOSA-N 0 1 288.391 2.574 20 30 CFEDMN C=CCN1CC[C@@H](N(C)C(=O)C(C)=C2CCCC2)C1 ZINC001032994051 780526357 /nfs/dbraw/zinc/52/63/57/780526357.db2.gz SEJZKNOLNYXEJL-OAHLLOKOSA-N 0 1 262.397 2.596 20 30 CFEDMN C=C(C)CN1CC[C@@H](N(C)C(=O)c2cc(C)c(C)o2)C1 ZINC001033001222 780527927 /nfs/dbraw/zinc/52/79/27/780527927.db2.gz BPOPGFNKBCXXKS-CQSZACIVSA-N 0 1 276.380 2.619 20 30 CFEDMN CC#CCN1CC[C@H](N(C)C(=O)c2ccc3occc3c2)C1 ZINC001033098029 780559373 /nfs/dbraw/zinc/55/93/73/780559373.db2.gz DGWHGICKAIFOTQ-INIZCTEOSA-N 0 1 296.370 2.602 20 30 CFEDMN CC(C)=CC(=O)NCC1(NCC#Cc2ccccc2)CCC1 ZINC001273040013 780560278 /nfs/dbraw/zinc/56/02/78/780560278.db2.gz ATBXDBUGHIHHOD-UHFFFAOYSA-N 0 1 296.414 2.633 20 30 CFEDMN C=CCN1CC[C@@H](N(C)C(=O)[C@@H]2CCC(C)=C(C)C2)C1 ZINC001033104914 780563999 /nfs/dbraw/zinc/56/39/99/780563999.db2.gz BWFBGHHEWZHUDT-HZPDHXFCSA-N 0 1 276.424 2.842 20 30 CFEDMN C=CCN1CC[C@H](N(C)C(=O)[C@@H]2CCC=CCCC2)C1 ZINC001033180402 780607768 /nfs/dbraw/zinc/60/77/68/780607768.db2.gz CYGSODJZLQAODB-CVEARBPZSA-N 0 1 276.424 2.842 20 30 CFEDMN C=CCN1CC[C@@H](N(C)C(=O)[C@@H]2CCCc3ccccc32)C1 ZINC001033186050 780608277 /nfs/dbraw/zinc/60/82/77/780608277.db2.gz RTHONDSAXHCFLL-SJLPKXTDSA-N 0 1 298.430 2.825 20 30 CFEDMN C=CCN1CC[C@H](N(C)C(=O)c2cc(Cl)ccc2F)C1 ZINC001033242593 780630219 /nfs/dbraw/zinc/63/02/19/780630219.db2.gz MRVQRPDMQPOBGG-LBPRGKRZSA-N 0 1 296.773 2.811 20 30 CFEDMN CC#CCN1CC[C@@H](N(C)C(=O)C2(C3CCC3)CCC2)C1 ZINC001033312083 780646760 /nfs/dbraw/zinc/64/67/60/780646760.db2.gz KYMAVKPSRGYDEA-MRXNPFEDSA-N 0 1 288.435 2.513 20 30 CFEDMN C=C(C)CN1CC[C@@H](N(C)C(=O)c2ccoc2C2CC2)C1 ZINC001033363583 780665720 /nfs/dbraw/zinc/66/57/20/780665720.db2.gz JSNWGCKTEMTOFA-CQSZACIVSA-N 0 1 288.391 2.879 20 30 CFEDMN C=CCN1CC[C@H](N(C)C(=O)c2ccc3[nH]ccc3c2)C1 ZINC001033384458 780672836 /nfs/dbraw/zinc/67/28/36/780672836.db2.gz PEKFNEGIVWWBBP-HNNXBMFYSA-N 0 1 283.375 2.500 20 30 CFEDMN C=CCN1CC[C@@H](N(C)C(=O)c2cccc(Cl)c2F)C1 ZINC001033386385 780673491 /nfs/dbraw/zinc/67/34/91/780673491.db2.gz UOQBLKIJGSVJGE-LLVKDONJSA-N 0 1 296.773 2.811 20 30 CFEDMN C=CCN1CC[C@@H](N(C)C(=O)c2ccc(C)c(Cl)c2)C1 ZINC001033386003 780673943 /nfs/dbraw/zinc/67/39/43/780673943.db2.gz YAHZDZWINVZIRC-CQSZACIVSA-N 0 1 292.810 2.981 20 30 CFEDMN C=CCN1CC[C@@H](N(C)C(=O)c2ccc(C=C)cc2)C1 ZINC001033444681 780682998 /nfs/dbraw/zinc/68/29/98/780682998.db2.gz YJLZQKOVACGEPE-MRXNPFEDSA-N 0 1 270.376 2.662 20 30 CFEDMN C=CCN1CC[C@@H](N(C)C(=O)C2CCC(F)(F)CC2)C1 ZINC001033449195 780685003 /nfs/dbraw/zinc/68/50/03/780685003.db2.gz LIOMEJUFOMFFLY-CYBMUJFWSA-N 0 1 286.366 2.531 20 30 CFEDMN N#Cc1cc(-c2cc(N3CCCC3)ccn2)ccn1 ZINC001241182960 780687859 /nfs/dbraw/zinc/68/78/59/780687859.db2.gz FSJICVMUEAVUNX-UHFFFAOYSA-N 0 1 250.305 2.615 20 30 CFEDMN C#CCN1CC[C@@H](N(C)C(=O)[C@H](C)c2ccc(CC)cc2)C1 ZINC001033515667 780701567 /nfs/dbraw/zinc/70/15/67/780701567.db2.gz YEPLGSJOIRXMRQ-CRAIPNDOSA-N 0 1 298.430 2.518 20 30 CFEDMN C=CCN1CC[C@H](N(C)C(=O)c2ccoc2CCC)C1 ZINC001033582749 780716747 /nfs/dbraw/zinc/71/67/47/780716747.db2.gz QJZDJRPQTMRNOE-ZDUSSCGKSA-N 0 1 276.380 2.564 20 30 CFEDMN C=CCN1CC[C@@H](N(C)C(=O)[C@H](C)c2ccc(C)cc2)C1 ZINC001033590145 780722090 /nfs/dbraw/zinc/72/20/90/780722090.db2.gz NRAUMAPQCIRFLB-NVXWUHKLSA-N 0 1 286.419 2.817 20 30 CFEDMN C=CCN1CC[C@@H](N(C)C(=O)c2cccc(Cl)c2)C1 ZINC001033607501 780728368 /nfs/dbraw/zinc/72/83/68/780728368.db2.gz XSWYUEMPDYLVAX-CQSZACIVSA-N 0 1 278.783 2.672 20 30 CFEDMN C=C(C)CN1CC[C@@H](N(C)C(=O)c2c(F)cccc2F)C1 ZINC001033611845 780730865 /nfs/dbraw/zinc/73/08/65/780730865.db2.gz CFKAFTYRXZPPPO-GFCCVEGCSA-N 0 1 294.345 2.687 20 30 CFEDMN C=CCN1CC[C@@H](N(C)C(=O)c2cc3ccccc3o2)C1 ZINC001033635330 780736857 /nfs/dbraw/zinc/73/68/57/780736857.db2.gz HWYFANPHUHQDDP-CQSZACIVSA-N 0 1 284.359 2.765 20 30 CFEDMN CC#CCN1CC[C@@H](N(C)C(=O)[C@]2(C)CC=C(C)CC2)C1 ZINC001033677505 780747557 /nfs/dbraw/zinc/74/75/57/780747557.db2.gz BJVZLKUJMYXCFZ-SJLPKXTDSA-N 0 1 288.435 2.679 20 30 CFEDMN C=CCN1CC[C@@H](N(C)C(=O)[C@@H](C)c2ccccc2C)C1 ZINC001033682348 780748376 /nfs/dbraw/zinc/74/83/76/780748376.db2.gz BTTMLMSQUQAOAO-JKSUJKDBSA-N 0 1 286.419 2.817 20 30 CFEDMN C=CCN1CC[C@H](N(C)C(=O)[C@@]2(C)CCc3ccccc32)C1 ZINC001033699073 780753821 /nfs/dbraw/zinc/75/38/21/780753821.db2.gz JZJSHGMKGBOHSI-LPHOPBHVSA-N 0 1 298.430 2.609 20 30 CFEDMN C#CCN1CC[C@H](N(C)C(=O)CC2CCC(C)(C)CC2)C1 ZINC001033722684 780757531 /nfs/dbraw/zinc/75/75/31/780757531.db2.gz LLOOZVDXQVTPLC-INIZCTEOSA-N 0 1 290.451 2.759 20 30 CFEDMN C=CCN1CC[C@@H](N(CC)C(=O)c2sccc2C)C1 ZINC001033732079 780767170 /nfs/dbraw/zinc/76/71/70/780767170.db2.gz HPQKJZNFDILUQW-CYBMUJFWSA-N 0 1 278.421 2.779 20 30 CFEDMN C=CCN1CC[C@H](N(CC)C(=O)c2sccc2C)C1 ZINC001033732082 780768282 /nfs/dbraw/zinc/76/82/82/780768282.db2.gz HPQKJZNFDILUQW-ZDUSSCGKSA-N 0 1 278.421 2.779 20 30 CFEDMN C#CC[N@@H+]1CC[C@H](N(CC)C(=O)[C@@H]2C[C@H]2CC(C)(C)C)C1 ZINC001033833567 780802502 /nfs/dbraw/zinc/80/25/02/780802502.db2.gz ITNHTFILNYLTOR-HRCADAONSA-N 0 1 290.451 2.615 20 30 CFEDMN C#CCN1CC[C@H](N(CC)C(=O)[C@@H]2C[C@H]2CC(C)(C)C)C1 ZINC001033833567 780802514 /nfs/dbraw/zinc/80/25/14/780802514.db2.gz ITNHTFILNYLTOR-HRCADAONSA-N 0 1 290.451 2.615 20 30 CFEDMN C=CCN1CC[C@H](N(CC)C(=O)c2cccc(F)c2C)C1 ZINC001033841386 780802579 /nfs/dbraw/zinc/80/25/79/780802579.db2.gz WUCLEIZKOAMHPA-AWEZNQCLSA-N 0 1 290.382 2.857 20 30 CFEDMN C=CCN1CC[C@@H](N(CC)C(=O)c2ccc(F)c(F)c2)C1 ZINC001033856183 780807865 /nfs/dbraw/zinc/80/78/65/780807865.db2.gz RUKOLMYSAOOJCF-CYBMUJFWSA-N 0 1 294.345 2.687 20 30 CFEDMN C#CCN1CC[C@H](N(CC)C(=O)[C@@H]2CCC(C)=C(C)C2)C1 ZINC001033849820 780807956 /nfs/dbraw/zinc/80/79/56/780807956.db2.gz JKMYXFOQQVNGAG-SJORKVTESA-N 0 1 288.435 2.679 20 30 CFEDMN C=CCN1CC[C@@H](N(CC)C(=O)c2cc(C(C)C)on2)C1 ZINC001033917452 780826914 /nfs/dbraw/zinc/82/69/14/780826914.db2.gz SXWFIVNFIFTFLA-CYBMUJFWSA-N 0 1 291.395 2.520 20 30 CFEDMN C=CCN1CC[C@@H](N(CC)C(=O)[C@@H]2C[C@H]2CC(C)C)C1 ZINC001033961088 780845031 /nfs/dbraw/zinc/84/50/31/780845031.db2.gz OOCHLXOPHOYFCR-BZUAXINKSA-N 0 1 278.440 2.777 20 30 CFEDMN CC#CCN1CC[C@@H](N(CC)C(=O)[C@@H]2C[C@H]2CC(C)C)C1 ZINC001033961655 780845306 /nfs/dbraw/zinc/84/53/06/780845306.db2.gz WTMFLQMHURBHCV-BRWVUGGUSA-N 0 1 290.451 2.615 20 30 CFEDMN CC(=O)C1CCN(Cc2ccc(C)c(C#N)c2)CC1 ZINC000701840329 780848885 /nfs/dbraw/zinc/84/88/85/780848885.db2.gz HIDIMNHJCSAJLI-UHFFFAOYSA-N 0 1 256.349 2.668 20 30 CFEDMN COc1cc(C#N)ccc1-c1ccc2[nH]nnc2c1 ZINC001241404445 780853628 /nfs/dbraw/zinc/85/36/28/780853628.db2.gz OMAIHUJVRRSPDK-UHFFFAOYSA-N 0 1 250.261 2.505 20 30 CFEDMN COc1cc(C#N)ccc1-c1ccc2nn[nH]c2c1 ZINC001241404445 780853630 /nfs/dbraw/zinc/85/36/30/780853630.db2.gz OMAIHUJVRRSPDK-UHFFFAOYSA-N 0 1 250.261 2.505 20 30 CFEDMN C#CCC[N@@H+]1CC[C@@H](N(CC)C(=O)c2cc(C)cc(C)c2)C1 ZINC001034025158 780864237 /nfs/dbraw/zinc/86/42/37/780864237.db2.gz DVZRXNOLEWKWGO-GOSISDBHSA-N 0 1 298.430 2.863 20 30 CFEDMN CC#CCN1CC[C@H](N(CC)C(=O)C2CCC=CCC2)C1 ZINC001034041603 780865321 /nfs/dbraw/zinc/86/53/21/780865321.db2.gz IQEHPNGDBADYQX-KRWDZBQOSA-N 0 1 288.435 2.679 20 30 CFEDMN CC#CCN1CCCC[C@@H](NC(=O)CC2CCCCC2)C1 ZINC001034087318 780884022 /nfs/dbraw/zinc/88/40/22/780884022.db2.gz IZRUYFPKHHETGU-QGZVFWFLSA-N 0 1 290.451 2.951 20 30 CFEDMN CC#CCN1CCCC[C@@H](NC(=O)c2cc(C)oc2C)C1 ZINC001034102179 780887160 /nfs/dbraw/zinc/88/71/60/780887160.db2.gz OUMHWNCQSQYOAA-OAHLLOKOSA-N 0 1 288.391 2.504 20 30 CFEDMN C=CCN1CCCC[C@@H](NC(=O)c2ccc(Cl)o2)C1 ZINC001034101489 780894110 /nfs/dbraw/zinc/89/41/10/780894110.db2.gz MCLFGASSYJZSSW-LLVKDONJSA-N 0 1 282.771 2.703 20 30 CFEDMN CC#CCN1CCCC[C@H](NC(=O)c2ccsc2C)C1 ZINC001034209367 780923399 /nfs/dbraw/zinc/92/33/99/780923399.db2.gz UMIUIEOBTUOSMD-AWEZNQCLSA-N 0 1 290.432 2.664 20 30 CFEDMN C#CCN1CCCC[C@H](NC(=O)[C@@H]2C[C@H]2CC(C)(C)C)C1 ZINC001034214401 780924785 /nfs/dbraw/zinc/92/47/85/780924785.db2.gz LNYGHQYMOAFZHF-HRCADAONSA-N 0 1 290.451 2.663 20 30 CFEDMN C=CCN1CCCC[C@@H](NC(=O)c2conc2C(C)C)C1 ZINC001034241900 780931125 /nfs/dbraw/zinc/93/11/25/780931125.db2.gz SBCKGHKCFQIAGG-CYBMUJFWSA-N 0 1 291.395 2.568 20 30 CFEDMN CC#CCN1CCCC[C@H](NC(=O)C[C@@H]2C=CCCC2)C1 ZINC001034266478 780935356 /nfs/dbraw/zinc/93/53/56/780935356.db2.gz OKFNQKQDJDARHP-SJORKVTESA-N 0 1 288.435 2.727 20 30 CFEDMN CC#CCN1CCCC[C@@H](NC(=O)[C@@H]2C[C@H]2C(C)(C)C)C1 ZINC001034301583 780941431 /nfs/dbraw/zinc/94/14/31/780941431.db2.gz JMGDQVVANBHQIM-BZUAXINKSA-N 0 1 290.451 2.663 20 30 CFEDMN Cc1cnc(C#N)c(C2=CCN(Cc3ccccc3)CC2)n1 ZINC001241502464 780946827 /nfs/dbraw/zinc/94/68/27/780946827.db2.gz JEMNMVJPQOQJCN-UHFFFAOYSA-N 0 1 290.370 2.946 20 30 CFEDMN C#CCN1CCCC[C@@H](NC(=O)C2(C)CCCCC2)C1 ZINC001034387443 780962348 /nfs/dbraw/zinc/96/23/48/780962348.db2.gz ZHDWHPWXZJIGIM-OAHLLOKOSA-N 0 1 276.424 2.561 20 30 CFEDMN C#CCN1CCCC[C@H](NC(=O)c2ccc(C=C)cc2)C1 ZINC001034420575 780972728 /nfs/dbraw/zinc/97/27/28/780972728.db2.gz WEBQQDOVGKZCRN-KRWDZBQOSA-N 0 1 282.387 2.547 20 30 CFEDMN C#CCN1CCCC[C@H](NC(=O)[C@H]2CC[C@H](CC)CC2)C1 ZINC001034497374 780983728 /nfs/dbraw/zinc/98/37/28/780983728.db2.gz SPJCLKACQKZSGZ-ULQDDVLXSA-N 0 1 290.451 2.807 20 30 CFEDMN C=CCN1CCCC[C@H](NC(=O)c2ccc(F)cc2F)C1 ZINC001034509989 780988684 /nfs/dbraw/zinc/98/86/84/780988684.db2.gz BDYRMHLVXVWVAM-ZDUSSCGKSA-N 0 1 294.345 2.735 20 30 CFEDMN C#CCN1CCCC[C@H](NC(=O)[C@]2(C)CC=C(C)CC2)C1 ZINC001034535170 780994134 /nfs/dbraw/zinc/99/41/34/780994134.db2.gz CGYJHQALJRUOFC-FUHWJXTLSA-N 0 1 288.435 2.727 20 30 CFEDMN C#CCN1CCCC[C@H](NC(=O)c2coc3ccccc23)C1 ZINC001034548168 780997047 /nfs/dbraw/zinc/99/70/47/780997047.db2.gz AROGVJYHILVWEQ-AWEZNQCLSA-N 0 1 296.370 2.650 20 30 CFEDMN C=CCN1CCCC[C@H](NC(=O)c2c(C)nsc2C)C1 ZINC001034545004 780997421 /nfs/dbraw/zinc/99/74/21/780997421.db2.gz RQLRKGWYFBWCET-ZDUSSCGKSA-N 0 1 293.436 2.530 20 30 CFEDMN COc1nc(-c2ccc3c(C)[nH]nc3c2)c(F)cc1C#N ZINC001241638857 781037621 /nfs/dbraw/zinc/03/76/21/781037621.db2.gz LQTGMLLROHJBGC-UHFFFAOYSA-N 0 1 282.278 2.953 20 30 CFEDMN Cc1[nH]nc2cc(-c3ccc(OCC#N)cn3)ccc12 ZINC001241639866 781039405 /nfs/dbraw/zinc/03/94/05/781039405.db2.gz VAURZWGNDNHINL-UHFFFAOYSA-N 0 1 264.288 2.836 20 30 CFEDMN COC(=O)c1cc(C#N)cnc1-c1ccc2n[nH]c(C)c2c1 ZINC001241669141 781062444 /nfs/dbraw/zinc/06/24/44/781062444.db2.gz WNGWEVUYGSSVPZ-UHFFFAOYSA-N 0 1 292.298 2.592 20 30 CFEDMN COCCOc1ccc(-c2cc3[nH]cnc3c(C#N)n2)cc1 ZINC001241744527 781105875 /nfs/dbraw/zinc/10/58/75/781105875.db2.gz FNLHSFNVGIJUPH-UHFFFAOYSA-N 0 1 294.314 2.522 20 30 CFEDMN C=C(Cl)CN1CCC2(C1)CCN(C(=O)C1CCC1)CC2 ZINC001035147585 781115009 /nfs/dbraw/zinc/11/50/09/781115009.db2.gz LBSSPDVZXAVXFN-UHFFFAOYSA-N 0 1 296.842 2.854 20 30 CFEDMN CCCCCCCNC(=O)[C@](C)(N)c1ccccc1 ZINC000705908780 781151264 /nfs/dbraw/zinc/15/12/64/781151264.db2.gz KFDVTCKATWSYAF-MRXNPFEDSA-N 0 1 262.397 2.947 20 30 CFEDMN C=CCN1CC2(C1)CCN(C(=O)c1cc(C)oc1C)CC2 ZINC001035646703 781154742 /nfs/dbraw/zinc/15/47/42/781154742.db2.gz AXYGLJUIPAMWEA-UHFFFAOYSA-N 0 1 288.391 2.620 20 30 CFEDMN C=CCN1CC2(C1)CCN(C(=O)CC1=CCCCC1)CC2 ZINC001035674008 781155236 /nfs/dbraw/zinc/15/52/36/781155236.db2.gz RQPUVNSKQNOBPH-UHFFFAOYSA-N 0 1 288.435 2.987 20 30 CFEDMN C=CCN1CC2(C1)CCN(C(=O)C(F)=C1CCCC1)CC2 ZINC001035685281 781157787 /nfs/dbraw/zinc/15/77/87/781157787.db2.gz OLKFLGXIGDFVGS-UHFFFAOYSA-N 0 1 292.398 2.894 20 30 CFEDMN C=CCN1CC2(C1)CCN(C(=O)[C@@H]1CC[C@@H]3C[C@@H]3C1)CC2 ZINC001035735872 781163063 /nfs/dbraw/zinc/16/30/63/781163063.db2.gz NOORNGAGDMKHTQ-BZUAXINKSA-N 0 1 288.435 2.533 20 30 CFEDMN C=CCN1CC2(C1)CCN(C(=O)C[C@@H]1CC[C@H](C)C1)CC2 ZINC001035770210 781166091 /nfs/dbraw/zinc/16/60/91/781166091.db2.gz CUCQDQGZEOQNQB-JKSUJKDBSA-N 0 1 290.451 2.923 20 30 CFEDMN C=CCN1CC2(C1)CCN(C(=O)[C@@H]1C[C@H]1CCC)CC2 ZINC001035792456 781169741 /nfs/dbraw/zinc/16/97/41/781169741.db2.gz XIZDDWLOEVFMJQ-HUUCEWRRSA-N 0 1 276.424 2.533 20 30 CFEDMN C=CCN1CC2(C1)CCN(C(=O)C(C)(CC)CC)CC2 ZINC001035854787 781179373 /nfs/dbraw/zinc/17/93/73/781179373.db2.gz DLNMQRFMIHIASU-UHFFFAOYSA-N 0 1 278.440 2.923 20 30 CFEDMN N#Cc1c[nH]c2ccc(-c3ccc4[nH]nnc4c3)cc12 ZINC001241940946 781194574 /nfs/dbraw/zinc/19/45/74/781194574.db2.gz UFGAVJLGOIPTIA-UHFFFAOYSA-N 0 1 259.272 2.978 20 30 CFEDMN N#Cc1c[nH]c2ccc(-c3ccc4nn[nH]c4c3)cc12 ZINC001241940946 781194578 /nfs/dbraw/zinc/19/45/78/781194578.db2.gz UFGAVJLGOIPTIA-UHFFFAOYSA-N 0 1 259.272 2.978 20 30 CFEDMN N#CCc1cc(-c2ccc3[nH]nnc3c2)ccc1F ZINC001241941255 781195719 /nfs/dbraw/zinc/19/57/19/781195719.db2.gz HEVCCUVJJFCMJT-UHFFFAOYSA-N 0 1 252.252 2.830 20 30 CFEDMN N#CCc1cc(-c2ccc3nn[nH]c3c2)ccc1F ZINC001241941255 781195723 /nfs/dbraw/zinc/19/57/23/781195723.db2.gz HEVCCUVJJFCMJT-UHFFFAOYSA-N 0 1 252.252 2.830 20 30 CFEDMN CCOC(=O)c1cc2[nH]c(-c3cccnc3C#N)ccc-2n1 ZINC001242308238 781385350 /nfs/dbraw/zinc/38/53/50/781385350.db2.gz BCTLFJGEQNZHIN-UHFFFAOYSA-N 0 1 292.298 2.673 20 30 CFEDMN Cc1cc(-c2cc(N3CCCC3)ccn2)cnc1C#N ZINC001242354760 781429397 /nfs/dbraw/zinc/42/93/97/781429397.db2.gz LNXZWIQOOCMGMJ-UHFFFAOYSA-N 0 1 264.332 2.924 20 30 CFEDMN N#Cc1ccc(CN2CCC[C@H](CF)C2)c(F)c1 ZINC000711418609 781430790 /nfs/dbraw/zinc/43/07/90/781430790.db2.gz HEOJLUJJNALMQR-GFCCVEGCSA-N 0 1 250.292 2.879 20 30 CFEDMN C=CCCCC(=O)NC[C@@]1(C)CN(CCC(C)C)CCO1 ZINC001108173673 781433777 /nfs/dbraw/zinc/43/37/77/781433777.db2.gz VZMYIDUWMKNHMO-KRWDZBQOSA-N 0 1 296.455 2.596 20 30 CFEDMN N#Cc1nc(-c2cccc3cc[nH]c32)cc2[nH]cnc21 ZINC001242359651 781433905 /nfs/dbraw/zinc/43/39/05/781433905.db2.gz ZQOFJOVIAUVLIX-UHFFFAOYSA-N 0 1 259.272 2.978 20 30 CFEDMN ON=Cc1ccccc1-c1cnn(C(F)(F)F)c1 ZINC001242465516 781520429 /nfs/dbraw/zinc/52/04/29/781520429.db2.gz FHYGQVLCEAIAEL-UHFFFAOYSA-N 0 1 255.199 2.835 20 30 CFEDMN COC(=O)c1ccc(-c2ccc(O)c(C#N)c2)c(C#N)c1 ZINC001242563689 781602375 /nfs/dbraw/zinc/60/23/75/781602375.db2.gz IKCCWGHZMGDTDB-UHFFFAOYSA-N 0 1 278.267 2.589 20 30 CFEDMN C[NH+](C)CCOc1cccc(-c2ccc([O-])c(C#N)c2)c1 ZINC001242565441 781604975 /nfs/dbraw/zinc/60/49/75/781604975.db2.gz DAARFAFEWNCRNP-UHFFFAOYSA-N 0 1 282.343 2.871 20 30 CFEDMN CC#CCN1C[C@@H](C)[C@H](NC(=O)[C@@H]2CCC(C)=C(C)C2)C1 ZINC001079751398 781618038 /nfs/dbraw/zinc/61/80/38/781618038.db2.gz TYVNEYSLPQRMRS-BRWVUGGUSA-N 0 1 288.435 2.583 20 30 CFEDMN C=CC[N@@H+]1C[C@@H](C)[C@H](NC(=O)[C@H]2CCCc3ccccc32)C1 ZINC001079963558 781629154 /nfs/dbraw/zinc/62/91/54/781629154.db2.gz ISGIKETUZIQGJB-FHLIZLRMSA-N 0 1 298.430 2.729 20 30 CFEDMN CC#CCN1C[C@@H](C)[C@H](NC(=O)C2CCCCCCC2)C1 ZINC001080099356 781636450 /nfs/dbraw/zinc/63/64/50/781636450.db2.gz GPXOZXQMLIRHFO-NVXWUHKLSA-N 0 1 290.451 2.807 20 30 CFEDMN C=C1CCC(C(=O)N[C@@H]2CN(C[C@H](F)CC)C[C@H]2C)CC1 ZINC001080391547 781655225 /nfs/dbraw/zinc/65/52/25/781655225.db2.gz NWMRNQPVUQGOJU-FVQBIDKESA-N 0 1 296.430 2.917 20 30 CFEDMN C=CCN1C[C@@H](C)[C@H](NC(=O)c2csc(Cl)c2)C1 ZINC001080560525 781667409 /nfs/dbraw/zinc/66/74/09/781667409.db2.gz OUNLRZYNCGDLHC-MWLCHTKSSA-N 0 1 284.812 2.638 20 30 CFEDMN C=C(C)CN1C[C@@H](C)[C@H](NC(=O)c2c(F)cccc2F)C1 ZINC001080840050 781678249 /nfs/dbraw/zinc/67/82/49/781678249.db2.gz NLFJUAHFJDOACK-BXUZGUMPSA-N 0 1 294.345 2.591 20 30 CFEDMN C#CCN1C[C@@H](C)[C@H](NC(=O)c2ccc3ccccc3c2)C1 ZINC001080836471 781679531 /nfs/dbraw/zinc/67/95/31/781679531.db2.gz KCTYZQPBMVGBCD-RDTXWAMCSA-N 0 1 292.382 2.523 20 30 CFEDMN C=CCN1C[C@@H](C)[C@H](NC(=O)c2ccc(F)cc2Cl)C1 ZINC001080885222 781684036 /nfs/dbraw/zinc/68/40/36/781684036.db2.gz FATWNLYZGIVMKP-QMTHXVAHSA-N 0 1 296.773 2.715 20 30 CFEDMN C=CCN1C[C@@H](C)[C@H](NC(=O)C2(c3cccc(C)c3)CC2)C1 ZINC001081001523 781687813 /nfs/dbraw/zinc/68/78/13/781687813.db2.gz MTLHCUZDGNMCHN-NVXWUHKLSA-N 0 1 298.430 2.649 20 30 CFEDMN CC#CCN1C[C@@H](C)[C@H](NC(=O)[C@@H]2CCCC(C)(C)C2)C1 ZINC001081014053 781689686 /nfs/dbraw/zinc/68/96/86/781689686.db2.gz QBHSASBVOAGMSF-BZUAXINKSA-N 0 1 290.451 2.663 20 30 CFEDMN C=C[C@H](C)[C@H](C)C(=O)NCCCNC/C(Cl)=C/Cl ZINC001164222968 781695727 /nfs/dbraw/zinc/69/57/27/781695727.db2.gz OYVLKAZALMBPRJ-QGXQPGLJSA-N 0 1 293.238 2.860 20 30 CFEDMN C=CCN1C[C@@H](C)[C@H](NC(=O)c2cc3c(cccc3C)o2)C1 ZINC001081018714 781696626 /nfs/dbraw/zinc/69/66/26/781696626.db2.gz KOZRCFFJWAHRLC-UKRRQHHQSA-N 0 1 298.386 2.977 20 30 CFEDMN C=C(Cl)CN[C@@H]1CN(C(=O)[C@@]2(C)CC=CCC2)C[C@H]1C ZINC001082530338 781732343 /nfs/dbraw/zinc/73/23/43/781732343.db2.gz SAOHUUOYFCFPSU-XPKDYRNWSA-N 0 1 296.842 2.922 20 30 CFEDMN C=C[C@](C)(CC)C(=O)N1C[C@@H](C)[C@H](NCC(=C)Cl)C1 ZINC001082721795 781740939 /nfs/dbraw/zinc/74/09/39/781740939.db2.gz KBCQSNTXUSJTSY-UXIGCNINSA-N 0 1 284.831 2.778 20 30 CFEDMN N#Cc1c[nH]c2ccnc(-c3cc(O)ccc3F)c12 ZINC001242761455 781745358 /nfs/dbraw/zinc/74/53/58/781745358.db2.gz HOLTUDUJEKVGEP-UHFFFAOYSA-N 0 1 253.236 2.946 20 30 CFEDMN C=C(C)CN1CC[C@@H]2CN(C(=O)c3cc(C)cs3)[C@@H]2C1 ZINC001084329276 781789089 /nfs/dbraw/zinc/78/90/89/781789089.db2.gz SRZOBBHQVJNLOM-ZIAGYGMSSA-N 0 1 290.432 2.779 20 30 CFEDMN CCCCCCCOC(=O)N1CC[C@H]2[C@@H]1CC[N@H+]2C ZINC001278353642 781789347 /nfs/dbraw/zinc/78/93/47/781789347.db2.gz MSDHROPOSPVLSN-KBPBESRZSA-N 0 1 268.401 2.872 20 30 CFEDMN C=CCN1CC[C@@H]2CN(C(=O)[C@@H]3C[C@H]3CC(C)(C)C)[C@@H]2C1 ZINC001084356586 781790600 /nfs/dbraw/zinc/79/06/00/781790600.db2.gz PZMUXKBLEWJGHT-QKPAOTATSA-N 0 1 290.451 2.777 20 30 CFEDMN C=CCN1CC[C@@H]2CN(C(=O)C(C)(C)C3CCCC3)[C@@H]2C1 ZINC001084413983 781793305 /nfs/dbraw/zinc/79/33/05/781793305.db2.gz QFTXHFCNXQNNBX-GDBMZVCRSA-N 0 1 290.451 2.922 20 30 CFEDMN C=CCN1CC[C@@H]2CN(C(=O)[C@@H]3CCCC3(C)C)[C@@H]2C1 ZINC001084587520 781807655 /nfs/dbraw/zinc/80/76/55/781807655.db2.gz BRYDLALHQCKIJV-QLFBSQMISA-N 0 1 276.424 2.531 20 30 CFEDMN C#CCN1CCC(N(C)C(=O)[C@@H]2CCCC[C@@H]2CC)CC1 ZINC001006212292 781818370 /nfs/dbraw/zinc/81/83/70/781818370.db2.gz SYWZTKNBCWTWOB-DOTOQJQBSA-N 0 1 290.451 2.759 20 30 CFEDMN C=CCN1CC[C@@H]2CN(C(=O)c3cccc4cc[nH]c43)[C@@H]2C1 ZINC001084677914 781819779 /nfs/dbraw/zinc/81/97/79/781819779.db2.gz MOZADNPYRJWJBG-GDBMZVCRSA-N 0 1 295.386 2.500 20 30 CFEDMN C=CCN1CC[C@@H]2CN(C(=O)c3cccc(Cl)c3)[C@@H]2C1 ZINC001084791520 781836405 /nfs/dbraw/zinc/83/64/05/781836405.db2.gz GQDFJXDZWQLZAP-UKRRQHHQSA-N 0 1 290.794 2.672 20 30 CFEDMN C=CCN1CC[C@@H]2CN(C(=O)C[C@H](C)c3ccccc3)[C@@H]2C1 ZINC001084813235 781842060 /nfs/dbraw/zinc/84/20/60/781842060.db2.gz STWDTZSMSKWKKD-CGTJXYLNSA-N 0 1 298.430 2.899 20 30 CFEDMN C=CCN1CC[C@@H]2CN(C(=O)c3ccc4c(c3)CCC4)[C@@H]2C1 ZINC001084822584 781843283 /nfs/dbraw/zinc/84/32/83/781843283.db2.gz HCABDBPIVFYGJX-QZTJIDSGSA-N 0 1 296.414 2.508 20 30 CFEDMN C[C@]1(C#N)CCCN(C[C@H]2C[C@@H]3[C@H](C2)C3(F)F)C1 ZINC001119728425 781858726 /nfs/dbraw/zinc/85/87/26/781858726.db2.gz FXUCMFWFOQJBKC-YVECIDJPSA-N 0 1 254.324 2.903 20 30 CFEDMN C=C[C@@H](CC(=O)NC(C)(C)c1c[nH]nn1)c1ccccc1 ZINC000820443828 781869356 /nfs/dbraw/zinc/86/93/56/781869356.db2.gz IQEMYLKRRAQRBM-LBPRGKRZSA-N 0 1 284.363 2.516 20 30 CFEDMN CC[C@@H]([NH2+]C[C@@H]1CCN(C2CC2)C1)c1cccc(C#N)c1[O-] ZINC000822658691 781907139 /nfs/dbraw/zinc/90/71/39/781907139.db2.gz QGOSUIWHDLKOIV-SUMWQHHRSA-N 0 1 299.418 2.789 20 30 CFEDMN C[C@@H](N[C@H]1c2ccccc2C[C@@H]1O)c1cccc(C#N)c1 ZINC000594517122 349439363 /nfs/dbraw/zinc/43/93/63/349439363.db2.gz VJYLLERWYYPSRU-UUWFMWQGSA-N 0 1 278.355 2.867 20 30 CFEDMN N#CC1(Cn2cc([C@@H](N)c3ccc(F)cc3)nn2)CCCC1 ZINC000594657605 349470247 /nfs/dbraw/zinc/47/02/47/349470247.db2.gz CRUPEHOJEJJDEY-HNNXBMFYSA-N 0 1 299.353 2.549 20 30 CFEDMN CCc1ccc(C)nc1NCc1nc(C#N)cs1 ZINC000594741614 349485740 /nfs/dbraw/zinc/48/57/40/349485740.db2.gz AAGHJQKOHZWLEQ-UHFFFAOYSA-N 0 1 258.350 2.893 20 30 CFEDMN Cn1ncc(C2CCC2)c1CNCc1cccc(C#N)c1 ZINC000594915885 349504934 /nfs/dbraw/zinc/50/49/34/349504934.db2.gz WROCQSLYDDIXCS-UHFFFAOYSA-N 0 1 280.375 2.849 20 30 CFEDMN Cn1ncc(C2CCC2)c1CNCc1ccc(C#N)cc1 ZINC000594926131 349512148 /nfs/dbraw/zinc/51/21/48/349512148.db2.gz SINUZEHPKLRINX-UHFFFAOYSA-N 0 1 280.375 2.849 20 30 CFEDMN CC(C)n1ccnc1CNCCOc1ccc(C#N)cc1 ZINC000594929849 349513774 /nfs/dbraw/zinc/51/37/74/349513774.db2.gz OPUFWAAMSSNUIM-UHFFFAOYSA-N 0 1 284.363 2.504 20 30 CFEDMN Cc1c(Cl)c(CNCCc2ccc(C#N)cc2)nn1C ZINC000594954125 349527082 /nfs/dbraw/zinc/52/70/82/349527082.db2.gz BWFSGEKENSZCOR-UHFFFAOYSA-N 0 1 288.782 2.586 20 30 CFEDMN C[C@@H](O)[C@H](NCc1cc(C#N)cs1)c1ccccc1 ZINC000595008425 349547487 /nfs/dbraw/zinc/54/74/87/349547487.db2.gz SIHRNVIFVKCBAT-ABAIWWIYSA-N 0 1 272.373 2.831 20 30 CFEDMN C[C@H](NCCc1ccc(C#N)cc1)c1cscn1 ZINC000595056735 349568374 /nfs/dbraw/zinc/56/83/74/349568374.db2.gz VOCUNBFPWPKXPE-NSHDSACASA-N 0 1 257.362 2.908 20 30 CFEDMN C=CCCCN(C)Cc1nc2cc(C(=O)OC)ccc2[nH]1 ZINC000595321654 349601680 /nfs/dbraw/zinc/60/16/80/349601680.db2.gz MXAGUNGLXRDMBS-UHFFFAOYSA-N 0 1 287.363 2.748 20 30 CFEDMN Cc1n[nH]c([C@H]2CCCN([C@@H](C#N)c3ccccc3)C2)n1 ZINC000595346226 349607897 /nfs/dbraw/zinc/60/78/97/349607897.db2.gz HITRCZLMTXESCG-GJZGRUSLSA-N 0 1 281.363 2.557 20 30 CFEDMN Cc1nnc([C@H]2CCCN([C@@H](C#N)c3ccccc3)C2)[nH]1 ZINC000595346226 349607898 /nfs/dbraw/zinc/60/78/98/349607898.db2.gz HITRCZLMTXESCG-GJZGRUSLSA-N 0 1 281.363 2.557 20 30 CFEDMN N#Cc1nc(C2CC2)oc1N1CCN(CC2CC=CC2)CC1 ZINC000595356238 349609860 /nfs/dbraw/zinc/60/98/60/349609860.db2.gz GTCFOKMNNZMCQN-UHFFFAOYSA-N 0 1 298.390 2.512 20 30 CFEDMN N#Cc1ccc(CN2CCC[C@@H](c3ccccn3)C2)nc1 ZINC000595499187 349642717 /nfs/dbraw/zinc/64/27/17/349642717.db2.gz CTPVLMYIMQQCJI-OAHLLOKOSA-N 0 1 278.359 2.728 20 30 CFEDMN CC[C@]1(O)CCN(Cc2ccc(C#N)cc2OC(F)F)C1 ZINC000425923481 529442084 /nfs/dbraw/zinc/44/20/84/529442084.db2.gz GGEWLGPHURYHKL-HNNXBMFYSA-N 0 1 296.317 2.506 20 30 CFEDMN C[C@H](C(=O)NC1(C#N)CCCCC1)N1C[C@@H]2CCCC[C@@H]21 ZINC000595561229 349660674 /nfs/dbraw/zinc/66/06/74/349660674.db2.gz HZNNFRHDGHYSME-ILXRZTDVSA-N 0 1 289.423 2.592 20 30 CFEDMN N#Cc1ccc(CN(C2CC2)C2(CO)CCC2)c(F)c1 ZINC000595537274 349653862 /nfs/dbraw/zinc/65/38/62/349653862.db2.gz BXQDGXCLABEEOQ-UHFFFAOYSA-N 0 1 274.339 2.577 20 30 CFEDMN N#CC[C@@H]1CCCN(CCCn2c3ccccc3[nH]c2=O)C1 ZINC000595614923 349677433 /nfs/dbraw/zinc/67/74/33/349677433.db2.gz JPZKRAWEPVLGAI-AWEZNQCLSA-N 0 1 298.390 2.758 20 30 CFEDMN C[C@H]1CCCN(C(=O)CNC(C)(C)c2cccc(C#N)c2)C1 ZINC000595641143 349686489 /nfs/dbraw/zinc/68/64/89/349686489.db2.gz CBUOZVSTLBTNEF-AWEZNQCLSA-N 0 1 299.418 2.641 20 30 CFEDMN CC(C)[C@H](C)NC(=O)CNC(C)(C)c1cccc(C#N)c1 ZINC000595641390 349686893 /nfs/dbraw/zinc/68/68/93/349686893.db2.gz KLNGVYFUFZRNAZ-ZDUSSCGKSA-N 0 1 287.407 2.544 20 30 CFEDMN C[C@]1(C2CC2)CN(Cc2ccc(CC#N)cc2)CCO1 ZINC000595627365 349683055 /nfs/dbraw/zinc/68/30/55/349683055.db2.gz XRLXCJAONLVGLI-QGZVFWFLSA-N 0 1 270.376 2.754 20 30 CFEDMN C[C@@H]1CCC[N@@H+](Cc2cn3ccccc3c2C#N)[C@@H]1CCO ZINC000595698604 349707568 /nfs/dbraw/zinc/70/75/68/349707568.db2.gz NGQFPSUDWCTPIR-RHSMWYFYSA-N 0 1 297.402 2.794 20 30 CFEDMN N#Cc1ccc(CN2CCC[C@](O)(C3CC3)C2)c(Cl)c1 ZINC000595749814 349723014 /nfs/dbraw/zinc/72/30/14/349723014.db2.gz LBSWTOLMBVVPGE-MRXNPFEDSA-N 0 1 290.794 2.949 20 30 CFEDMN N#Cc1ccc([C@H](C(N)=O)N2CCC[C@H](C3CCC3)C2)cc1 ZINC000595837038 349749836 /nfs/dbraw/zinc/74/98/36/349749836.db2.gz OAUDBNAAFDXHDH-DLBZAZTESA-N 0 1 297.402 2.597 20 30 CFEDMN C=C1C[C@H]2CC[C@@H](C1)N2Cc1occc1C(=O)OC ZINC000595841149 349751585 /nfs/dbraw/zinc/75/15/85/349751585.db2.gz ISBLJLVSKPSLIG-TXEJJXNPSA-N 0 1 261.321 2.749 20 30 CFEDMN C[C@@]1(C#N)CCN(CCCCC2CCOCC2)C1 ZINC000595843780 349753070 /nfs/dbraw/zinc/75/30/70/349753070.db2.gz NLUYLOQTCATMNG-HNNXBMFYSA-N 0 1 250.386 2.819 20 30 CFEDMN C[C@]1(C#N)CCN(CCCOCc2ccccc2)C1 ZINC000595845195 349753915 /nfs/dbraw/zinc/75/39/15/349753915.db2.gz ZGVRUNDQEAYXSG-MRXNPFEDSA-N 0 1 258.365 2.829 20 30 CFEDMN N#Cc1nc(NCCOC2CCCCC2)sc1Cl ZINC000596084952 349790644 /nfs/dbraw/zinc/79/06/44/349790644.db2.gz PVHXRCRIBSKIGF-UHFFFAOYSA-N 0 1 285.800 2.851 20 30 CFEDMN N#Cc1cccc(Cl)c1N[C@@H]1CC[N@H+](C2CC2)C1 ZINC000596087251 349791417 /nfs/dbraw/zinc/79/14/17/349791417.db2.gz GZWSLRBAQRBVTJ-LLVKDONJSA-N 0 1 261.756 2.860 20 30 CFEDMN N#Cc1cccc(Cl)c1N[C@@H]1CCN(C2CC2)C1 ZINC000596087251 349791419 /nfs/dbraw/zinc/79/14/19/349791419.db2.gz GZWSLRBAQRBVTJ-LLVKDONJSA-N 0 1 261.756 2.860 20 30 CFEDMN C[C@@H](CN=c1[n-]c(C#N)c(Cl)s1)[N@H+]1CCCC[C@@H]1C ZINC000596073032 349787214 /nfs/dbraw/zinc/78/72/14/349787214.db2.gz DHBDIUPVARRQPT-UWVGGRQHSA-N 0 1 298.843 2.765 20 30 CFEDMN CSCC[C@H](C)N(C)CC(=O)Nc1cccc(C#N)c1 ZINC000126358261 187234031 /nfs/dbraw/zinc/23/40/31/187234031.db2.gz QROXOFKNRGTYQN-LBPRGKRZSA-N 0 1 291.420 2.570 20 30 CFEDMN Cc1ncsc1NC(=O)[C@H]1CCCc2[nH]ncc21 ZINC000329547437 282234676 /nfs/dbraw/zinc/23/46/76/282234676.db2.gz DRRKCTAKGYNKCQ-QMMMGPOBSA-N 0 1 262.338 2.883 20 30 CFEDMN CCCC(O)(CCC)CNc1nc(C#N)c(Cl)s1 ZINC000596137206 349804736 /nfs/dbraw/zinc/80/47/36/349804736.db2.gz XLAWRWCPQVFNKV-UHFFFAOYSA-N 0 1 287.816 2.833 20 30 CFEDMN CCc1nccn1[C@H]1CCCN(C([O-])=[NH+]C2CC(C)C2)C1 ZINC000330019353 529760898 /nfs/dbraw/zinc/76/08/98/529760898.db2.gz UYKWPWSSCXKPQP-RUXDESIVSA-N 0 1 290.411 2.795 20 30 CFEDMN C[C@@H](CCN=c1[n-]c(C#N)c(Cl)s1)[NH+]1CCCCC1 ZINC000596193405 349823118 /nfs/dbraw/zinc/82/31/18/349823118.db2.gz MFFLDCIYOIIOFC-JTQLQIEISA-N 0 1 298.843 2.766 20 30 CFEDMN N#Cc1[n-]c(=NC[C@H]2CCCC[N@H+]2C2CC2)sc1Cl ZINC000596211893 349827776 /nfs/dbraw/zinc/82/77/76/349827776.db2.gz YLJHGEMEGXFFJO-SNVBAGLBSA-N 0 1 296.827 2.519 20 30 CFEDMN CN1CC[C@H](NCC2(C#N)CC2)[C@H]1c1ccc(F)c(F)c1 ZINC000352115497 529806364 /nfs/dbraw/zinc/80/63/64/529806364.db2.gz LRLKJYRXZITGEU-LSDHHAIUSA-N 0 1 291.345 2.603 20 30 CFEDMN CO[C@](C)([C@@H](C)Nc1nc(C#N)c(Cl)s1)C1CC1 ZINC000596271823 349849401 /nfs/dbraw/zinc/84/94/01/349849401.db2.gz CPEVGRUEPOKDEF-JMCQJSRRSA-N 0 1 285.800 2.706 20 30 CFEDMN CN(Cc1cnc[nH]1)c1nc(C(C)(C)C)ccc1C#N ZINC000596304687 349857436 /nfs/dbraw/zinc/85/74/36/349857436.db2.gz BNWMMWVNMLAUAV-UHFFFAOYSA-N 0 1 269.352 2.610 20 30 CFEDMN Cc1cc([C@H]2CCCN2CCCSCC#N)no1 ZINC000074981013 347046588 /nfs/dbraw/zinc/04/65/88/347046588.db2.gz SGCLBQWWAMPCIY-CYBMUJFWSA-N 0 1 265.382 2.767 20 30 CFEDMN CN(Cc1cc(C(C)(C)C)[nH]n1)c1ncc(C#N)cc1F ZINC000413265913 529976967 /nfs/dbraw/zinc/97/69/67/529976967.db2.gz OBOYNCSOEKCQDQ-UHFFFAOYSA-N 0 1 287.342 2.749 20 30 CFEDMN CN(Cc1cc[nH]n1)C([O-])=[NH+]CC1(C)Cc2ccccc2C1 ZINC000329114092 529981374 /nfs/dbraw/zinc/98/13/74/529981374.db2.gz SEMRLFPSZLEOKV-UHFFFAOYSA-N 0 1 298.390 2.561 20 30 CFEDMN COc1ccc(CN2CCC(CF)CC2)cc1C#N ZINC000295135107 199364407 /nfs/dbraw/zinc/36/44/07/199364407.db2.gz YRMNNRHLHVECGN-UHFFFAOYSA-N 0 1 262.328 2.748 20 30 CFEDMN CC(C)[C@@](C)(C#N)NC(=O)CN1CCC[C@@H]1c1ccccc1 ZINC000029443144 346281272 /nfs/dbraw/zinc/28/12/72/346281272.db2.gz ITVOVSONROMBCC-SJLPKXTDSA-N 0 1 299.418 2.878 20 30 CFEDMN C=CC[C@H]1CCCN(Cc2c(Cl)cnn2C)C1 ZINC000668493914 539535073 /nfs/dbraw/zinc/53/50/73/539535073.db2.gz SKMNNZZZTXMICJ-NSHDSACASA-N 0 1 253.777 2.862 20 30 CFEDMN Cc1nc2ccc(NC(=O)C3(C#N)CCCC3)cc2[nH]1 ZINC000042060194 346360094 /nfs/dbraw/zinc/36/00/94/346360094.db2.gz NLMDHQWVZCSYTG-UHFFFAOYSA-N 0 1 268.320 2.894 20 30 CFEDMN CC(C)(C)C[N@@H+](CC(=O)[O-])Cc1cc(C#N)cs1 ZINC000596656925 349970101 /nfs/dbraw/zinc/97/01/01/349970101.db2.gz OUVADCIPAKPFGM-UHFFFAOYSA-N 0 1 266.366 2.552 20 30 CFEDMN CC(C)COCCC(=O)Nc1nc(-c2ccccn2)n[nH]1 ZINC000053527554 346549448 /nfs/dbraw/zinc/54/94/48/346549448.db2.gz AEEPZLGPNGLJSE-UHFFFAOYSA-N 0 1 289.339 2.517 20 30 CFEDMN C#CCN1CCC(C(=O)N(Cc2ccccc2)C(C)C)CC1 ZINC000067144684 346793844 /nfs/dbraw/zinc/79/38/44/346793844.db2.gz XSVIDNJQXMUVLB-UHFFFAOYSA-N 0 1 298.430 2.769 20 30 CFEDMN N#Cc1ccsc1NC(=O)CNC1(c2ccccc2)CC1 ZINC000077377894 347190109 /nfs/dbraw/zinc/19/01/09/347190109.db2.gz CIQCNBHSKMHRDP-UHFFFAOYSA-N 0 1 297.383 2.837 20 30 CFEDMN CCN(CCC#N)C[C@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC000081039850 347400341 /nfs/dbraw/zinc/40/03/41/347400341.db2.gz ZWBVGJUNXUITDU-CQSZACIVSA-N 0 1 295.427 2.869 20 30 CFEDMN CC[C@H](O)CN(Cc1ccc(C#N)o1)Cc1ccccc1 ZINC000093687946 347681573 /nfs/dbraw/zinc/68/15/73/347681573.db2.gz IQZUJARMGKWLHH-HNNXBMFYSA-N 0 1 284.359 2.924 20 30 CFEDMN CC[C@@H](O)CN(Cc1ccc(C#N)o1)Cc1ccccc1 ZINC000093687953 347681775 /nfs/dbraw/zinc/68/17/75/347681775.db2.gz IQZUJARMGKWLHH-OAHLLOKOSA-N 0 1 284.359 2.924 20 30 CFEDMN N#CC1(NC(=O)c2cc(Cl)c3ccccc3c2O)CC1 ZINC000094150801 347692891 /nfs/dbraw/zinc/69/28/91/347692891.db2.gz WZMHQACDAAGBQV-UHFFFAOYSA-N 0 1 286.718 2.985 20 30 CFEDMN CCN1CCC[C@@H](Nc2ncc(C#N)cc2Cl)C1 ZINC000112075766 347758817 /nfs/dbraw/zinc/75/88/17/347758817.db2.gz DMAJUVHBEHWOGK-LLVKDONJSA-N 0 1 264.760 2.503 20 30 CFEDMN OCCCN(CC#Cc1ccccc1)Cc1ccccc1 ZINC000197537103 539581150 /nfs/dbraw/zinc/58/11/50/539581150.db2.gz LQVIOTHJEGXNEC-UHFFFAOYSA-N 0 1 279.383 2.923 20 30 CFEDMN CCO[C@@H]1CCCN(Cc2cc(C#N)cs2)C1 ZINC000155436640 347986416 /nfs/dbraw/zinc/98/64/16/347986416.db2.gz NYIQOZRZGRABMT-GFCCVEGCSA-N 0 1 250.367 2.621 20 30 CFEDMN C#CCC(C)(C)C(=O)NC[C@@H](c1cccc(F)c1)N(C)C ZINC000184930132 348128072 /nfs/dbraw/zinc/12/80/72/348128072.db2.gz MQHORJKTGSCWTN-HNNXBMFYSA-N 0 1 290.382 2.594 20 30 CFEDMN N#Cc1csc(CN[C@H]2CC(=O)N(c3ccccc3)C2)c1 ZINC000177691375 348117334 /nfs/dbraw/zinc/11/73/34/348117334.db2.gz ADWWIOLYQPQHEC-ZDUSSCGKSA-N 0 1 297.383 2.515 20 30 CFEDMN C#C[C@@H](CC)NCc1cc(Cl)ccc1[N+](=O)[O-] ZINC000229959626 348204076 /nfs/dbraw/zinc/20/40/76/348204076.db2.gz AXCUODVKRYWVOP-NSHDSACASA-N 0 1 252.701 2.750 20 30 CFEDMN C=CCOc1ccccc1C[N@@H+]1C[C@H]2COC[C@]2(C)C1 ZINC000668594824 539604946 /nfs/dbraw/zinc/60/49/46/539604946.db2.gz HIVPSBMSMZNTPG-RDJZCZTQSA-N 0 1 273.376 2.720 20 30 CFEDMN C=CCCCCC[N@@H+]1C[C@@H]2CCC[C@H]2[C@H]1C(=O)[O-] ZINC000300257034 348367047 /nfs/dbraw/zinc/36/70/47/348367047.db2.gz KTUNZTCHFFJVBJ-MJBXVCDLSA-N 0 1 251.370 2.918 20 30 CFEDMN N#Cc1csc(CN[C@@]2(CO)CCc3ccccc32)c1 ZINC000305166267 348381305 /nfs/dbraw/zinc/38/13/05/348381305.db2.gz ORDUFEPXOXJJGL-MRXNPFEDSA-N 0 1 284.384 2.543 20 30 CFEDMN C[C@@H](NCC#Cc1ccc(Cl)cc1)c1cnn(C)c1 ZINC000273377273 192132144 /nfs/dbraw/zinc/13/21/44/192132144.db2.gz MFFVEXBGSOYEAP-GFCCVEGCSA-N 0 1 273.767 2.776 20 30 CFEDMN CCN(Cc1cccc(C#N)c1F)[C@@H]1CCCOC1 ZINC000402849009 348583338 /nfs/dbraw/zinc/58/33/38/348583338.db2.gz RQZHRVNQWNHGGK-CQSZACIVSA-N 0 1 262.328 2.698 20 30 CFEDMN CCN(Cc1cc(C#N)ccc1OC)[C@@H]1CCCOC1 ZINC000402827425 348583346 /nfs/dbraw/zinc/58/33/46/348583346.db2.gz JZANMGVQAAHYNG-OAHLLOKOSA-N 0 1 274.364 2.568 20 30 CFEDMN CC[C@@H]1CN(CCOc2cccc(C#N)c2)[C@H](CC)CO1 ZINC000403874304 348587329 /nfs/dbraw/zinc/58/73/29/348587329.db2.gz MEUTWBSLSFUIID-HZPDHXFCSA-N 0 1 288.391 2.826 20 30 CFEDMN CC[C@@H]1COC(C)(C)CN1Cc1ccc(C#N)cc1 ZINC000403902147 348587971 /nfs/dbraw/zinc/58/79/71/348587971.db2.gz KLNYBJRZHDXHQF-OAHLLOKOSA-N 0 1 258.365 2.948 20 30 CFEDMN CC[C@@H]1CO[C@@H](CC)CN1Cc1ccc(C#N)cc1 ZINC000403898224 348588263 /nfs/dbraw/zinc/58/82/63/348588263.db2.gz ULGSZESYXFAKEI-CVEARBPZSA-N 0 1 258.365 2.948 20 30 CFEDMN C[C@@H]1CN(CC2(CC#N)CC2)CCN1Cc1ccccc1 ZINC000396558304 348559383 /nfs/dbraw/zinc/55/93/83/348559383.db2.gz IYZLLEQCFKKIDD-MRXNPFEDSA-N 0 1 283.419 2.887 20 30 CFEDMN C=CC(C)(C)CNC(=O)N1CCC(c2cn[nH]c2C)CC1 ZINC000580401066 348673230 /nfs/dbraw/zinc/67/32/30/348673230.db2.gz JIFUXWVUKWFPDB-UHFFFAOYSA-N 0 1 290.411 2.819 20 30 CFEDMN CC(C)[C@](C)(C#N)NC(=O)[C@H](C)N1CCC2(CCC2)CC1 ZINC000586783391 348751269 /nfs/dbraw/zinc/75/12/69/348751269.db2.gz SLODUKGRAQRION-HOCLYGCPSA-N 0 1 291.439 2.695 20 30 CFEDMN CC(C)(C)c1ccc(C#N)c(N[C@H]2CCc3[nH]cnc3C2)n1 ZINC000589606170 348842166 /nfs/dbraw/zinc/84/21/66/348842166.db2.gz GEVFDTMFHOGVLY-LBPRGKRZSA-N 0 1 295.390 2.943 20 30 CFEDMN CO[C@H]1CCCN(Cc2cccc(F)c2C#N)CC1 ZINC000589990838 348868170 /nfs/dbraw/zinc/86/81/70/348868170.db2.gz OSLHWMOONKAANW-ZDUSSCGKSA-N 0 1 262.328 2.698 20 30 CFEDMN C[C@H](c1ccncc1)N1CC[C@@H](Oc2ccc(C#N)cn2)C1 ZINC000590005505 348869037 /nfs/dbraw/zinc/86/90/37/348869037.db2.gz VRGAATJVXIEWCS-CZUORRHYSA-N 0 1 294.358 2.563 20 30 CFEDMN COc1ccc(F)c(CNCc2ccc(C#N)cc2)c1 ZINC000590182151 348883838 /nfs/dbraw/zinc/88/38/38/348883838.db2.gz KSIOMVRBDMVYKW-UHFFFAOYSA-N 0 1 270.307 2.996 20 30 CFEDMN COc1cccc2c1CN([C@@H]1CC[C@H](C#N)C1)CC2 ZINC000590760002 348944918 /nfs/dbraw/zinc/94/49/18/348944918.db2.gz COZIODVRKIMPAY-GXTWGEPZSA-N 0 1 256.349 2.746 20 30 CFEDMN N#Cc1ccc2c(c1)CCC[C@@H]2NCc1n[nH]c(C2CC2)n1 ZINC000590779084 348948130 /nfs/dbraw/zinc/94/81/30/348948130.db2.gz GKUYWHVGDGABRI-HNNXBMFYSA-N 0 1 293.374 2.721 20 30 CFEDMN CCN(Cc1cnccn1)[C@@H](C)c1ccc(C#N)cc1 ZINC000590951424 348971279 /nfs/dbraw/zinc/97/12/79/348971279.db2.gz HJHQZMLKXLDBQT-ZDUSSCGKSA-N 0 1 266.348 2.931 20 30 CFEDMN CC(C)(C#N)CNCCC(=O)Nc1ccc(Cl)cc1 ZINC000591759351 349041868 /nfs/dbraw/zinc/04/18/68/349041868.db2.gz ITZPCXWLNFTCGS-UHFFFAOYSA-N 0 1 279.771 2.808 20 30 CFEDMN N#CCc1ccc(NC(=O)c2cc(O)cc([N+](=O)[O-])c2)cc1 ZINC000427908906 539708284 /nfs/dbraw/zinc/70/82/84/539708284.db2.gz PGXSTZFCAZJUPY-UHFFFAOYSA-N 0 1 297.270 2.619 20 30 CFEDMN Cc1cc(N2CC[C@@](O)(CC#N)C2)c2cc(F)ccc2n1 ZINC000591976975 349068559 /nfs/dbraw/zinc/06/85/59/349068559.db2.gz YQJUROWWTRUYHA-INIZCTEOSA-N 0 1 285.322 2.537 20 30 CFEDMN N#Cc1c(F)cccc1N1CCN(CC2=CCCC2)CC1 ZINC000592054688 349076411 /nfs/dbraw/zinc/07/64/11/349076411.db2.gz BOQFBTQXABQXNL-UHFFFAOYSA-N 0 1 285.366 2.930 20 30 CFEDMN COCC[C@@H]1CCCCN(Cc2ccncc2C#N)C1 ZINC000592106027 349083083 /nfs/dbraw/zinc/08/30/83/349083083.db2.gz NICGOWKYAGVRBX-AWEZNQCLSA-N 0 1 273.380 2.592 20 30 CFEDMN C[C@@H]1CCC[C@@H](C)N1C(=O)CN1CCC(CCC#N)CC1 ZINC000592135866 349088664 /nfs/dbraw/zinc/08/86/64/349088664.db2.gz IXMOJGCMUASUKJ-HUUCEWRRSA-N 0 1 291.439 2.792 20 30 CFEDMN N#Cc1ccc(-c2nc([C@H]3CCCN3)no2)cc1Cl ZINC000592356813 349107637 /nfs/dbraw/zinc/10/76/37/349107637.db2.gz BXYOPENVKYCWEF-LLVKDONJSA-N 0 1 274.711 2.686 20 30 CFEDMN N#CC[C@@]1(O)CCN([C@H]2CCc3c2cccc3Cl)C1 ZINC000592151286 349091675 /nfs/dbraw/zinc/09/16/75/349091675.db2.gz LHSNLHCLEXGYJZ-LSDHHAIUSA-N 0 1 276.767 2.678 20 30 CFEDMN N#CC[C@@]1(O)CCN([C@@H]2CCCc3ccc(F)cc32)C1 ZINC000592151896 349092356 /nfs/dbraw/zinc/09/23/56/349092356.db2.gz ROCPQKVFTUSQLC-HZPDHXFCSA-N 0 1 274.339 2.554 20 30 CFEDMN C[C@H](CN1CC[C@@](O)(CC#N)C1)c1cccc(Cl)c1 ZINC000592153794 349092566 /nfs/dbraw/zinc/09/25/66/349092566.db2.gz OXNSUZQJOZLJTL-DOMZBBRYSA-N 0 1 278.783 2.794 20 30 CFEDMN CCc1nc(C(C)C)ccc1CN1CC[C@](O)(CC#N)C1 ZINC000592153829 349092685 /nfs/dbraw/zinc/09/26/85/349092685.db2.gz PHNHMYWRESIXNI-QGZVFWFLSA-N 0 1 287.407 2.618 20 30 CFEDMN CCO[C@@H]1C[C@@H](NCc2cccc(C#N)c2F)[C@@H]1SC ZINC000592172691 349094462 /nfs/dbraw/zinc/09/44/62/349094462.db2.gz IUKVZSKSOAGKGV-NFAWXSAZSA-N 0 1 294.395 2.696 20 30 CFEDMN CCN(CC)Cc1ccc(C(=O)NC2(C#N)CCCC2)o1 ZINC000592480862 349127307 /nfs/dbraw/zinc/12/73/07/349127307.db2.gz MTDFACKMNSFCFF-UHFFFAOYSA-N 0 1 289.379 2.688 20 30 CFEDMN C[C@H](CCO)N(C)Cc1ccc(Br)cc1C#N ZINC000593107896 349210501 /nfs/dbraw/zinc/21/05/01/349210501.db2.gz KCFWCZPOOOIFQR-SNVBAGLBSA-N 0 1 297.196 2.523 20 30 CFEDMN N#Cc1ccc(CN2CCC23CCCC3)c([N+](=O)[O-])c1 ZINC000593040164 349192625 /nfs/dbraw/zinc/19/26/25/349192625.db2.gz ZGLGSULSEJNSRR-UHFFFAOYSA-N 0 1 271.320 2.985 20 30 CFEDMN C[C@H](CO)C1CCN(Cc2ccc(C#N)cc2F)CC1 ZINC000593083676 349204836 /nfs/dbraw/zinc/20/48/36/349204836.db2.gz KYUCFCRXAWCIGR-GFCCVEGCSA-N 0 1 276.355 2.538 20 30 CFEDMN CN(CCN1CCCCC1)c1c(F)cc(C#N)cc1F ZINC000593514839 349287876 /nfs/dbraw/zinc/28/78/76/349287876.db2.gz AZNJOHVOZLGFHT-UHFFFAOYSA-N 0 1 279.334 2.759 20 30 CFEDMN CC[C@H](C#N)C(=O)NC[C@@H](c1cccs1)N1CCCC1 ZINC000593392171 349259356 /nfs/dbraw/zinc/25/93/56/349259356.db2.gz PPEACZWZFRRMAS-OLZOCXBDSA-N 0 1 291.420 2.551 20 30 CFEDMN N#CCCCCC(=O)NC[C@H](c1ccco1)N1CCCC1 ZINC000593947979 349337847 /nfs/dbraw/zinc/33/78/47/349337847.db2.gz PUIJUCAFOWKJST-CQSZACIVSA-N 0 1 289.379 2.617 20 30 CFEDMN N#Cc1ccc(CN2CCCc3ccccc3C2)nc1 ZINC000593958336 349340194 /nfs/dbraw/zinc/34/01/94/349340194.db2.gz JTIIVWPPUQFIHZ-UHFFFAOYSA-N 0 1 263.344 2.902 20 30 CFEDMN N#Cc1csc(C[N@@H+]2CC[C@@]3(CC3(F)F)C2)c1 ZINC000593697632 349312526 /nfs/dbraw/zinc/31/25/26/349312526.db2.gz NHXDFGZXZABVGS-LLVKDONJSA-N 0 1 254.305 2.851 20 30 CFEDMN N#Cc1csc(CN2CC[C@@]3(CC3(F)F)C2)c1 ZINC000593697632 349312528 /nfs/dbraw/zinc/31/25/28/349312528.db2.gz NHXDFGZXZABVGS-LLVKDONJSA-N 0 1 254.305 2.851 20 30 CFEDMN C=CCCC[N@H+](C)Cc1cc(C(=O)[O-])ccc1[N+](=O)[O-] ZINC000593738953 349317984 /nfs/dbraw/zinc/31/79/84/349317984.db2.gz QQGKMVBHUPNESU-UHFFFAOYSA-N 0 1 278.308 2.691 20 30 CFEDMN CN(C)[C@@H](CNC(=O)CCCCC#N)c1cccc(F)c1 ZINC000594225921 349395933 /nfs/dbraw/zinc/39/59/33/349395933.db2.gz FSTHXAPBYBIMCK-HNNXBMFYSA-N 0 1 291.370 2.629 20 30 CFEDMN N#CC1CCN(C(=O)c2cccc(C(F)(F)F)c2O)CC1 ZINC000594256908 349401391 /nfs/dbraw/zinc/40/13/91/349401391.db2.gz XSFBAEUGHQTBNN-UHFFFAOYSA-N 0 1 298.264 2.787 20 30 CFEDMN Cn1nccc1CNCc1ccc(C(C)(C)C#N)cc1 ZINC000594495406 349429917 /nfs/dbraw/zinc/42/99/17/349429917.db2.gz RUODPXYJDRIUMZ-UHFFFAOYSA-N 0 1 268.364 2.511 20 30 CFEDMN CC1(C)COCCN1Cc1ccc(C2(C#N)CC2)cc1 ZINC000596992245 350013699 /nfs/dbraw/zinc/01/36/99/350013699.db2.gz UBFVFXMDURUDBP-UHFFFAOYSA-N 0 1 270.376 2.853 20 30 CFEDMN C[C@@H]1OCCN(Cc2ccc(C3(C#N)CC3)cc2)[C@H]1C ZINC000597011419 350016030 /nfs/dbraw/zinc/01/60/30/350016030.db2.gz WXXWZDAYWYKMQP-KBPBESRZSA-N 0 1 270.376 2.851 20 30 CFEDMN CC(C)[N@H+]1CCCN(C(=O)CC2(C#N)CCCCC2)CC1 ZINC000597126139 350033327 /nfs/dbraw/zinc/03/33/27/350033327.db2.gz NTNYUVVSMVLFAE-UHFFFAOYSA-N 0 1 291.439 2.793 20 30 CFEDMN N#CC[C@H]1CCCN(Cc2ccc(N3CCCC3)nc2)C1 ZINC000597173286 350043779 /nfs/dbraw/zinc/04/37/79/350043779.db2.gz HUQLVDHSMGPPKT-OAHLLOKOSA-N 0 1 284.407 2.807 20 30 CFEDMN CC(C)(C#N)c1ccc(CN2CC(CC#N)C2)cc1 ZINC000597202707 350054447 /nfs/dbraw/zinc/05/44/47/350054447.db2.gz ACUXTYGLMUOGMC-UHFFFAOYSA-N 0 1 253.349 2.833 20 30 CFEDMN N#Cc1ccc2ncc(CN3CCC[C@H](CCF)C3)n2c1 ZINC000597211332 350057943 /nfs/dbraw/zinc/05/79/43/350057943.db2.gz MTKQELUYSISDQX-CYBMUJFWSA-N 0 1 286.354 2.778 20 30 CFEDMN CCO[C@@H]1C[C@H](NCC2(C#N)CCCCC2)[C@H]1SC ZINC000597215473 350059145 /nfs/dbraw/zinc/05/91/45/350059145.db2.gz CQLONJYRSLVHAP-BFHYXJOUSA-N 0 1 282.453 2.959 20 30 CFEDMN CN(c1ccccc1)[C@H]1CCN(Cc2ccc(C#N)o2)C1 ZINC000597225028 350062563 /nfs/dbraw/zinc/06/25/63/350062563.db2.gz XRWIJIASBYRVKP-HNNXBMFYSA-N 0 1 281.359 2.862 20 30 CFEDMN C[C@H](CC#N)C(=O)NC[C@@H](c1ccc(Cl)cc1)N(C)C ZINC000597333385 350084934 /nfs/dbraw/zinc/08/49/34/350084934.db2.gz LLRJZJACIXYTJG-RISCZKNCSA-N 0 1 293.798 2.609 20 30 CFEDMN C[C@H](CC#N)C(=O)NC[C@H](c1ccc(Cl)cc1)N(C)C ZINC000597333383 350085054 /nfs/dbraw/zinc/08/50/54/350085054.db2.gz LLRJZJACIXYTJG-BXUZGUMPSA-N 0 1 293.798 2.609 20 30 CFEDMN Cn1cc(CNCc2cnccc2C(C)(C)C)cc1C#N ZINC000414495875 233272062 /nfs/dbraw/zinc/27/20/62/233272062.db2.gz HTBKROQVIBOODU-UHFFFAOYSA-N 0 1 282.391 2.879 20 30 CFEDMN C[C@H](CC#N)C(=O)Nc1ccc2nc(C(F)F)[nH]c2c1 ZINC000597446313 350098595 /nfs/dbraw/zinc/09/85/95/350098595.db2.gz MLHHKANLEGWHGN-SSDOTTSWSA-N 0 1 278.262 2.989 20 30 CFEDMN N#Cc1cccc(/C=C/c2nc(C3(N)CCCC3)no2)c1 ZINC000414619346 233303757 /nfs/dbraw/zinc/30/37/57/233303757.db2.gz NXMPAECGKQHZRU-VOTSOKGWSA-N 0 1 280.331 2.840 20 30 CFEDMN Fc1ccc(C#CCN2CC[C@@H](C(F)F)C2)cc1 ZINC000677736805 539775026 /nfs/dbraw/zinc/77/50/26/539775026.db2.gz ZNVULMGOGMDMIC-GFCCVEGCSA-N 0 1 253.267 2.764 20 30 CFEDMN CCN(C(=O)c1cc(-c2ccc(F)cc2)[nH]n1)[C@@H](C)C#N ZINC000598354498 350244765 /nfs/dbraw/zinc/24/47/65/350244765.db2.gz YKESNBZPNDKSEN-JTQLQIEISA-N 0 1 286.310 2.590 20 30 CFEDMN C[C@]1(C#N)CCN(C(=O)c2cn[nH]c2-c2ccccc2F)C1 ZINC000598411297 350261596 /nfs/dbraw/zinc/26/15/96/350261596.db2.gz NJDUFESKWPAGIF-MRXNPFEDSA-N 0 1 298.321 2.592 20 30 CFEDMN C[C@]1(C#N)CCN(C(=O)c2cc(-c3ccc(F)cc3)[nH]n2)C1 ZINC000598412391 350262064 /nfs/dbraw/zinc/26/20/64/350262064.db2.gz SJHCMVDYZXZCNZ-MRXNPFEDSA-N 0 1 298.321 2.592 20 30 CFEDMN CCN(CC)[C@H](C(=O)N1CC[C@](C)(C#N)C1)c1ccccc1 ZINC000598413457 350262584 /nfs/dbraw/zinc/26/25/84/350262584.db2.gz RWDXHAZGLYFCNB-FUHWJXTLSA-N 0 1 299.418 2.832 20 30 CFEDMN CC(C)(C#N)C[C@H](O)CN1CC[C@@H]1c1ccc(F)cc1 ZINC000598626965 350296741 /nfs/dbraw/zinc/29/67/41/350296741.db2.gz MQFOZYXGQMPSDO-LSDHHAIUSA-N 0 1 276.355 2.873 20 30 CFEDMN C#CCN(CC)C(=O)Nc1ccc2nc(C(F)F)[nH]c2c1 ZINC000271356041 191094174 /nfs/dbraw/zinc/09/41/74/191094174.db2.gz DUUPBOZVACXEML-UHFFFAOYSA-N 0 1 292.289 2.988 20 30 CFEDMN CC(C)(C#N)C[C@H](O)CN1CC(C)(CC(F)(F)F)C1 ZINC000598706732 350314452 /nfs/dbraw/zinc/31/44/52/350314452.db2.gz UZEXAMWBIKJBRD-JTQLQIEISA-N 0 1 278.318 2.561 20 30 CFEDMN CC(C)(C#N)C[C@@H](O)CNc1ccc2cnccc2c1 ZINC000598729252 350320825 /nfs/dbraw/zinc/32/08/25/350320825.db2.gz HSKVIDPTQALMHF-OAHLLOKOSA-N 0 1 269.348 2.947 20 30 CFEDMN CC(C)CCN(CCC#N)C[C@H](O)CC(C)(C)C#N ZINC000598595062 350289276 /nfs/dbraw/zinc/28/92/76/350289276.db2.gz MLVGBTZHBOILFX-CQSZACIVSA-N 0 1 265.401 2.549 20 30 CFEDMN C[C@@H]1[C@@H](C)N(C(=O)CC2(C#N)CCCCC2)[C@@H](C)CN1C ZINC000598846429 350338779 /nfs/dbraw/zinc/33/87/79/350338779.db2.gz IEMHPYXSRTWYKF-RRFJBIMHSA-N 0 1 291.439 2.790 20 30 CFEDMN Cc1c(C#N)cccc1NC(=O)[C@@H]1C[C@@H](C)Cc2cn[nH]c21 ZINC000598942987 350347364 /nfs/dbraw/zinc/34/73/64/350347364.db2.gz RFLAKWQFWKDRKB-IINYFYTJSA-N 0 1 294.358 2.894 20 30 CFEDMN C[C@@H]1Cc2cn[nH]c2[C@@H](C(=O)Nc2cccc(CC#N)c2)C1 ZINC000598941157 350347384 /nfs/dbraw/zinc/34/73/84/350347384.db2.gz KQTXWLGWKYSZNI-ABAIWWIYSA-N 0 1 294.358 2.780 20 30 CFEDMN CCN(CC)C(=O)[C@@H]1CCCN1Cc1ccc(C)c(C#N)c1 ZINC000599282806 350405872 /nfs/dbraw/zinc/40/58/72/350405872.db2.gz LWEWZMLDRBDNSD-KRWDZBQOSA-N 0 1 299.418 2.700 20 30 CFEDMN Cc1ccc(CN2CC[C@H]([C@H](O)C(F)(F)F)C2)cc1C#N ZINC000599435006 350437321 /nfs/dbraw/zinc/43/73/21/350437321.db2.gz OUFLXTMFVIAQFQ-JSGCOSHPSA-N 0 1 298.308 2.612 20 30 CFEDMN COC(=O)[C@H]1CN(CCC(C)(C)C#N)Cc2ccccc21 ZINC000599667898 350475957 /nfs/dbraw/zinc/47/59/57/350475957.db2.gz UAMADTXSBWMRMY-HNNXBMFYSA-N 0 1 286.375 2.699 20 30 CFEDMN COC(=O)[C@@H]1CN(CCC(C)(C)C#N)Cc2ccccc21 ZINC000599667900 350475977 /nfs/dbraw/zinc/47/59/77/350475977.db2.gz UAMADTXSBWMRMY-OAHLLOKOSA-N 0 1 286.375 2.699 20 30 CFEDMN C=CC1CCN(CC(=O)N[C@@H]2CCC[C@@H](C)[C@H]2C)CC1 ZINC000600683130 350596236 /nfs/dbraw/zinc/59/62/36/350596236.db2.gz MNZQWQBPWKHUBT-IIAWOOMASA-N 0 1 278.440 2.825 20 30 CFEDMN Cc1ccc(C[N@H+]2CCC[C@@H](CC(=O)[O-])C2)cc1C#N ZINC000600703559 350598312 /nfs/dbraw/zinc/59/83/12/350598312.db2.gz XGBPRZFGOMYRFQ-ZDUSSCGKSA-N 0 1 272.348 2.553 20 30 CFEDMN N#Cc1cnc(N2CCN(C3CCC3)CC2)c2sccc21 ZINC000601116941 350672457 /nfs/dbraw/zinc/67/24/57/350672457.db2.gz SEWZOXHUUAUHKG-UHFFFAOYSA-N 0 1 298.415 2.842 20 30 CFEDMN N#C[C@H](Sc1nc(-c2ccccc2)n[nH]1)C1CC1 ZINC000601071913 350658581 /nfs/dbraw/zinc/65/85/81/350658581.db2.gz CGVPEEDBACHBPU-NSHDSACASA-N 0 1 256.334 2.866 20 30 CFEDMN CCc1n[nH]c(S[C@@H](C#N)CCc2ccccc2)n1 ZINC000601074319 350658987 /nfs/dbraw/zinc/65/89/87/350658987.db2.gz OPTKHENVVQHMFM-GFCCVEGCSA-N 0 1 272.377 2.984 20 30 CFEDMN CCc1nc(S[C@@H](C#N)CCc2ccccc2)n[nH]1 ZINC000601074319 350658993 /nfs/dbraw/zinc/65/89/93/350658993.db2.gz OPTKHENVVQHMFM-GFCCVEGCSA-N 0 1 272.377 2.984 20 30 CFEDMN C[C@H]1C[C@H](Nc2ncc(C#N)c3ccsc32)C[N@H+]1C1CC1 ZINC000601127869 350675882 /nfs/dbraw/zinc/67/58/82/350675882.db2.gz TUDQWUVCLSLOAP-JQWIXIFHSA-N 0 1 298.415 2.627 20 30 CFEDMN CCN1CCN(c2ncc(C#N)c3ccsc32)C[C@H]1C ZINC000601135195 350678287 /nfs/dbraw/zinc/67/82/87/350678287.db2.gz RVOKZVKTQHOVHH-LLVKDONJSA-N 0 1 286.404 2.698 20 30 CFEDMN Cc1cc(C#N)cc(N[C@@H](C)c2n[nH]c(C(C)C)n2)n1 ZINC000601136816 350679093 /nfs/dbraw/zinc/67/90/93/350679093.db2.gz YBIVLECAANECRG-JTQLQIEISA-N 0 1 270.340 2.676 20 30 CFEDMN Cc1cccc(-c2nc(=NCCCC#N)s[nH]2)c1 ZINC000601141650 350680776 /nfs/dbraw/zinc/68/07/76/350680776.db2.gz NJRQSUQWWAXXIE-UHFFFAOYSA-N 0 1 258.350 2.651 20 30 CFEDMN Cc1[nH]ncc1CN(C)c1nc(C)c(C#N)cc1Cl ZINC000601182719 350690781 /nfs/dbraw/zinc/69/07/81/350690781.db2.gz YVFXINVHPNNBRL-UHFFFAOYSA-N 0 1 275.743 2.583 20 30 CFEDMN C[C@@H](N[C@@H](C)c1ccc(C#N)cc1)[C@@H](O)C(F)(F)F ZINC000601301289 350719708 /nfs/dbraw/zinc/71/97/08/350719708.db2.gz XGETVHKGACDDKE-YGOYTEALSA-N 0 1 272.270 2.521 20 30 CFEDMN N#C[C@H]1CC[C@H](N2CCN(c3cccc(F)c3)CC2)C1 ZINC000601314433 350721779 /nfs/dbraw/zinc/72/17/79/350721779.db2.gz GMZHBYBNTRCLFB-BBRMVZONSA-N 0 1 273.355 2.640 20 30 CFEDMN Cc1[nH]n(-c2cc(F)cc(F)c2F)c(=O)c1CCC#N ZINC000601948445 350815607 /nfs/dbraw/zinc/81/56/07/350815607.db2.gz GTYULGWTOMIZGV-SECBINFHSA-N 0 1 281.237 2.746 20 30 CFEDMN CCCCCc1cc(C(=O)N(C)[C@@H]2CCC[C@H]2C#N)n[nH]1 ZINC000601809859 350781190 /nfs/dbraw/zinc/78/11/90/350781190.db2.gz ZWCLQROLYZWNQP-SWLSCSKDSA-N 0 1 288.395 2.907 20 30 CFEDMN C[C@@H](c1cccc(C#N)c1)N1CCO[C@H](C(F)F)CC1 ZINC000601976432 350822324 /nfs/dbraw/zinc/82/23/24/350822324.db2.gz PXPRNBJYJFGOHF-FZMZJTMJSA-N 0 1 280.318 2.975 20 30 CFEDMN C[C@H](c1cccc(C#N)c1)N1CCO[C@@H](C(F)F)CC1 ZINC000601976431 350822538 /nfs/dbraw/zinc/82/25/38/350822538.db2.gz PXPRNBJYJFGOHF-BXUZGUMPSA-N 0 1 280.318 2.975 20 30 CFEDMN CN(CCC1(C#N)CCCCC1)[C@H]1CCCCN(C)C1=O ZINC000601974532 350822715 /nfs/dbraw/zinc/82/27/15/350822715.db2.gz JYDJFDTUOWQGKS-HNNXBMFYSA-N 0 1 291.439 2.793 20 30 CFEDMN CC[C@@](C)(C#N)C(=O)N[C@@H]1CCN(Cc2cccc(C)c2)C1 ZINC000601851665 350792185 /nfs/dbraw/zinc/79/21/85/350792185.db2.gz VZQGRHQTXQKBIA-AEFFLSMTSA-N 0 1 299.418 2.625 20 30 CFEDMN Cc1[nH]n(Cc2cccc(C)c2)c(=O)c1CCC#N ZINC000601937353 350809377 /nfs/dbraw/zinc/80/93/77/350809377.db2.gz AIHXXXCYCCAIHG-AWEZNQCLSA-N 0 1 255.321 2.633 20 30 CFEDMN Cc1nc(C#N)c(N2N=C3CCCCCC[C@H]3C2=O)o1 ZINC000601941574 350810886 /nfs/dbraw/zinc/81/08/86/350810886.db2.gz XGPYYROPHYDUGR-SNVBAGLBSA-N 0 1 272.308 2.528 20 30 CFEDMN Cc1[nH]n(Cc2ccc(Cl)cc2)c(=O)c1CCC#N ZINC000601941281 350811203 /nfs/dbraw/zinc/81/12/03/350811203.db2.gz WOYIRVXNZJEHTK-CYBMUJFWSA-N 0 1 275.739 2.978 20 30 CFEDMN Cc1[nH]n([C@H](C)c2ccccc2)c(=O)c1CCC#N ZINC000601941008 350811233 /nfs/dbraw/zinc/81/12/33/350811233.db2.gz WMOUJRGRDRWXMN-TZMCWYRMSA-N 0 1 255.321 2.886 20 30 CFEDMN Cc1[nH]n(Cc2ccc(F)cc2F)c(=O)c1CCC#N ZINC000601941683 350811445 /nfs/dbraw/zinc/81/14/45/350811445.db2.gz ZTBUTDXTEBYDPV-LBPRGKRZSA-N 0 1 277.274 2.603 20 30 CFEDMN CC[C@@H](C)c1cc(=O)n(Cc2cccc(C#N)c2)[nH]1 ZINC000601945927 350813376 /nfs/dbraw/zinc/81/33/76/350813376.db2.gz VXWOEMJUMHDPNX-LLVKDONJSA-N 0 1 255.321 2.693 20 30 CFEDMN CC[C@@H](C)C[C@@H](CO)NCc1cccc(F)c1C#N ZINC000602020648 350833959 /nfs/dbraw/zinc/83/39/59/350833959.db2.gz QLPRWDKZTITAII-YPMHNXCESA-N 0 1 264.344 2.584 20 30 CFEDMN CCC[C@H](CNCc1cccc(F)c1C#N)OCC ZINC000602027727 350834866 /nfs/dbraw/zinc/83/48/66/350834866.db2.gz JKOFJZLELMJICX-CYBMUJFWSA-N 0 1 264.344 2.992 20 30 CFEDMN Cc1[nH]ncc1CN(C)C(=O)C[C@@H](CC#N)c1ccccc1 ZINC000602172444 350849394 /nfs/dbraw/zinc/84/93/94/350849394.db2.gz LFYUWFONLIMQCG-OAHLLOKOSA-N 0 1 296.374 2.764 20 30 CFEDMN CC(C)COCCCNCc1cccc(F)c1C#N ZINC000601996234 350826105 /nfs/dbraw/zinc/82/61/05/350826105.db2.gz IIKYBLDQSZSUCX-UHFFFAOYSA-N 0 1 264.344 2.850 20 30 CFEDMN Cc1csc(CCNCc2cccc(F)c2C#N)n1 ZINC000602007094 350828794 /nfs/dbraw/zinc/82/87/94/350828794.db2.gz VKSJRIRPOUKZON-UHFFFAOYSA-N 0 1 275.352 2.795 20 30 CFEDMN COC(=O)c1csc(CN2CCC(CC#N)CC2)c1 ZINC000602597460 350940510 /nfs/dbraw/zinc/94/05/10/350940510.db2.gz QSUZZZHLHFFLLM-UHFFFAOYSA-N 0 1 278.377 2.660 20 30 CFEDMN COc1ncc(CN[C@@H](C)c2cccc(C#N)c2)s1 ZINC000602564435 350926242 /nfs/dbraw/zinc/92/62/42/350926242.db2.gz GBHWEBJXCQNOEC-JTQLQIEISA-N 0 1 273.361 2.874 20 30 CFEDMN C=C(C)CN(CC)Cc1ccc(C(=O)OCC)[nH]1 ZINC000602427755 350878340 /nfs/dbraw/zinc/87/83/40/350878340.db2.gz ACQIMYLDGTXMHV-UHFFFAOYSA-N 0 1 250.342 2.589 20 30 CFEDMN C[C@H](CCC#N)CN1CCN(C(=O)C2CCCCC2)CC1 ZINC000602453466 350889393 /nfs/dbraw/zinc/88/93/93/350889393.db2.gz YYPIRZGVRXFDFM-OAHLLOKOSA-N 0 1 291.439 2.651 20 30 CFEDMN N#Cc1cccc(CN2CCC[C@@H](Oc3ccccc3)C2)n1 ZINC000602454018 350889574 /nfs/dbraw/zinc/88/95/74/350889574.db2.gz NGTRWJVHABWANK-GOSISDBHSA-N 0 1 293.370 2.997 20 30 CFEDMN N#Cc1cccc(CN2CCCO[C@H](c3ccccc3)C2)n1 ZINC000602460020 350890564 /nfs/dbraw/zinc/89/05/64/350890564.db2.gz QWVHQQWVFWEGFS-SFHVURJKSA-N 0 1 293.370 2.917 20 30 CFEDMN C[C@H](NCc1cccc(C#N)n1)[C@@H]1OCCc2sccc21 ZINC000602672786 350972017 /nfs/dbraw/zinc/97/20/17/350972017.db2.gz ZWUQSIINJNJHNW-ZBEGNZNMSA-N 0 1 299.399 2.807 20 30 CFEDMN N#Cc1cccc(CN2CCC3(CC3(F)F)CC2)n1 ZINC000602697657 350985061 /nfs/dbraw/zinc/98/50/61/350985061.db2.gz GYWIKGYTNLCODW-UHFFFAOYSA-N 0 1 263.291 2.574 20 30 CFEDMN N#CC[C@@]1(O)CCN(Cc2ccc(F)c3ccccc23)C1 ZINC000602696925 350985101 /nfs/dbraw/zinc/98/51/01/350985101.db2.gz MGAVITLGXHVGJL-QGZVFWFLSA-N 0 1 284.334 2.829 20 30 CFEDMN COc1ccc2c(c1)CC[C@@H]2NCC1(C#N)CCC1 ZINC000602699794 350986052 /nfs/dbraw/zinc/98/60/52/350986052.db2.gz RJKFBSZBGXTZDG-HNNXBMFYSA-N 0 1 256.349 2.966 20 30 CFEDMN C[C@H](CCC#N)CN1C[C@@H](C)O[C@](C)(C(F)F)C1 ZINC000602714632 350996025 /nfs/dbraw/zinc/99/60/25/350996025.db2.gz HVVUVCMWNSGYEZ-WZRBSPASSA-N 0 1 260.328 2.671 20 30 CFEDMN N#Cc1cccc(CN2CCC([C@H]3CCCCO3)CC2)n1 ZINC000602714434 350996058 /nfs/dbraw/zinc/99/60/58/350996058.db2.gz ABIHOTILKBRRAJ-QGZVFWFLSA-N 0 1 285.391 2.734 20 30 CFEDMN CC[C@H](CC(F)(F)F)NCc1cccc(C#N)n1 ZINC000602618170 350948297 /nfs/dbraw/zinc/94/82/97/350948297.db2.gz QJZDYASBNHHTEN-SECBINFHSA-N 0 1 257.259 2.774 20 30 CFEDMN CCO[C@H](CNCc1cccc(C#N)n1)c1ccccc1 ZINC000602635606 350955649 /nfs/dbraw/zinc/95/56/49/350955649.db2.gz AKEHHURKFPXOMM-QGZVFWFLSA-N 0 1 281.359 2.821 20 30 CFEDMN CC[N@@H+](C[C@@H]1CCc2ncnn21)[C@H](C)c1ccc(C#N)cc1 ZINC000602765560 351017389 /nfs/dbraw/zinc/01/73/89/351017389.db2.gz VJDPNHXVSMOAMU-CJNGLKHVSA-N 0 1 295.390 2.720 20 30 CFEDMN COc1ccc(CN(C)CC2(CC#N)CC2)cc1O ZINC000602789785 351025693 /nfs/dbraw/zinc/02/56/93/351025693.db2.gz YWYLHFURVCUNDK-UHFFFAOYSA-N 0 1 260.337 2.526 20 30 CFEDMN Cn1nccc1[C@@H]1CCCCN1CC1(CC#N)CC1 ZINC000602823289 351037388 /nfs/dbraw/zinc/03/73/88/351037388.db2.gz CBNFFNMXPJCDMF-AWEZNQCLSA-N 0 1 258.369 2.641 20 30 CFEDMN C[C@@H]1C(=O)N(C)[C@H](C)[C@H](C)N1CCCCC(C)(C)C#N ZINC000602846834 351043924 /nfs/dbraw/zinc/04/39/24/351043924.db2.gz HZPJRNGLVZLZTM-HZSPNIEDSA-N 0 1 279.428 2.646 20 30 CFEDMN Cc1cc(C#N)ccc1CN1CCC[C@H]1c1cn[nH]c1 ZINC000602879469 351056538 /nfs/dbraw/zinc/05/65/38/351056538.db2.gz FTKUHMASEZJJHQ-INIZCTEOSA-N 0 1 266.348 2.927 20 30 CFEDMN C[N@H+](Cc1cccc(C#N)c1)C[C@H]1CC(C)(C)CO1 ZINC000602757893 351014785 /nfs/dbraw/zinc/01/47/85/351014785.db2.gz AZUKBOKZYYMBOO-OAHLLOKOSA-N 0 1 258.365 2.805 20 30 CFEDMN Cc1n[nH]cc1CN(C)Cc1ccc(C#N)cc1C ZINC000602940476 351069810 /nfs/dbraw/zinc/06/98/10/351069810.db2.gz GKWBMQIRUPWOPP-UHFFFAOYSA-N 0 1 254.337 2.530 20 30 CFEDMN CN(CCC(=O)Nc1ccccc1F)[C@H]1CCC[C@@H]1C#N ZINC000602975716 351075111 /nfs/dbraw/zinc/07/51/11/351075111.db2.gz GIXGBKSQASFMBX-DOMZBBRYSA-N 0 1 289.354 2.778 20 30 CFEDMN CN(CCC(=O)Nc1ccccc1)[C@@H]1CCC[C@@H]1C#N ZINC000602976250 351076945 /nfs/dbraw/zinc/07/69/45/351076945.db2.gz NDVOUGLCEWZARZ-UKRRQHHQSA-N 0 1 271.364 2.639 20 30 CFEDMN CN(CCC(=O)Nc1ccc(C#N)cc1)[C@@H]1CCC[C@@H]1C#N ZINC000602979559 351080893 /nfs/dbraw/zinc/08/08/93/351080893.db2.gz FWNNAXOVYLGVLX-GDBMZVCRSA-N 0 1 296.374 2.511 20 30 CFEDMN Cc1nc(C#N)n(Cc2c(C)cc(C)nc2C)c1C ZINC000603349036 351144911 /nfs/dbraw/zinc/14/49/11/351144911.db2.gz UFGBVQWNFGRMIO-UHFFFAOYSA-N 0 1 254.337 2.740 20 30 CFEDMN C=CCN(CC1CCCCC1)C(=O)NCc1cc(C)[nH]n1 ZINC000606696219 351289224 /nfs/dbraw/zinc/28/92/24/351289224.db2.gz XNNJWAHYNJESPY-UHFFFAOYSA-N 0 1 290.411 2.996 20 30 CFEDMN C=CCN(Cc1ccccc1)C(=O)NCc1cc(C)[nH]n1 ZINC000606695795 351289400 /nfs/dbraw/zinc/28/94/00/351289400.db2.gz ILCRAOQHEYMKOF-UHFFFAOYSA-N 0 1 284.363 2.616 20 30 CFEDMN CC#CCN[C@](C)(CO)c1cccc(C(F)(F)F)c1 ZINC000607734979 351357763 /nfs/dbraw/zinc/35/77/63/351357763.db2.gz BEILYGWEGLTEBT-CYBMUJFWSA-N 0 1 271.282 2.526 20 30 CFEDMN CC(C)(C)CN(CCO)Cc1cc(C#N)ccc1F ZINC000609317358 351496211 /nfs/dbraw/zinc/49/62/11/351496211.db2.gz XBVOHGCKVJZOOA-UHFFFAOYSA-N 0 1 264.344 2.538 20 30 CFEDMN CN1CCC(C#N)(NC(=O)CC/C=C\c2ccccc2)CC1 ZINC000609988408 351529588 /nfs/dbraw/zinc/52/95/88/351529588.db2.gz HENNORHGHRJPRU-UITAMQMPSA-N 0 1 297.402 2.584 20 30 CFEDMN C[C@@H](NC(=O)[C@H]1CCCc2[nH]ncc21)c1cccc(C#N)c1 ZINC000610712195 351595738 /nfs/dbraw/zinc/59/57/38/351595738.db2.gz YQKVQCAVPSHGBT-RISCZKNCSA-N 0 1 294.358 2.579 20 30 CFEDMN CC(=O)Nc1cccc2c1CCN(CCC(C)(C)C#N)C2 ZINC000611191696 351651020 /nfs/dbraw/zinc/65/10/20/351651020.db2.gz ODJRFEDHZXERTH-UHFFFAOYSA-N 0 1 285.391 2.943 20 30 CFEDMN Cc1ccc(CN(C)CCOc2cccc(C#N)c2)nc1 ZINC000610957998 351625153 /nfs/dbraw/zinc/62/51/53/351625153.db2.gz XXSRQICYLNTHKZ-UHFFFAOYSA-N 0 1 281.359 2.773 20 30 CFEDMN Cc1ccc(CN(C)Cc2ccnc(C#N)c2)s1 ZINC000610992605 351630360 /nfs/dbraw/zinc/63/03/60/351630360.db2.gz UOMUAGTXOMZQEJ-UHFFFAOYSA-N 0 1 257.362 2.955 20 30 CFEDMN CC(C)(C)OC1CCN(Cc2ccnc(C#N)c2)CC1 ZINC000610993874 351631121 /nfs/dbraw/zinc/63/11/21/351631121.db2.gz GLFZWXWEYHZXFV-UHFFFAOYSA-N 0 1 273.380 2.733 20 30 CFEDMN CC(C)[C@@H]1CN(Cc2ccnc(C#N)c2)CCS1 ZINC000610993976 351631258 /nfs/dbraw/zinc/63/12/58/351631258.db2.gz PKXYQNCNYJMPAF-AWEZNQCLSA-N 0 1 261.394 2.527 20 30 CFEDMN C[C@@H]1CCN(CCC(=O)Nc2ccc(C#N)cc2)C[C@H]1F ZINC000611502005 351699364 /nfs/dbraw/zinc/69/93/64/351699364.db2.gz LQZYZYQORBVZPF-IUODEOHRSA-N 0 1 289.354 2.567 20 30 CFEDMN CC1(C#N)CCN(Cc2ccc(C(=O)NC3CC3)cc2)CC1 ZINC000611561388 351708519 /nfs/dbraw/zinc/70/85/19/351708519.db2.gz IQNIZFVEMNJDRA-UHFFFAOYSA-N 0 1 297.402 2.704 20 30 CFEDMN COc1ccnc(CN[C@@H](C)c2cccc(C#N)c2)c1 ZINC000612118653 351778259 /nfs/dbraw/zinc/77/82/59/351778259.db2.gz SAAMUPGZQSUOLQ-LBPRGKRZSA-N 0 1 267.332 2.813 20 30 CFEDMN Cc1ccncc1[C@@H](C)NCc1ccnc(C#N)c1 ZINC000611939255 351753610 /nfs/dbraw/zinc/75/36/10/351753610.db2.gz PXLVAQHNOVMERT-GFCCVEGCSA-N 0 1 252.321 2.508 20 30 CFEDMN Cc1nn(-c2ccncc2)cc1CN1CCC[C@](C)(C#N)C1 ZINC000612406072 351816413 /nfs/dbraw/zinc/81/64/13/351816413.db2.gz HSCSGQUDXVNAMT-QGZVFWFLSA-N 0 1 295.390 2.701 20 30 CFEDMN Cc1cc(C#N)ccc1CSc1nc2n[nH]cc2c(=O)[nH]1 ZINC000614392122 352087971 /nfs/dbraw/zinc/08/79/71/352087971.db2.gz COLCCLPIOKSGBR-UHFFFAOYSA-N 0 1 297.343 2.531 20 30 CFEDMN CCN1C[C@@H](C)[N@H+](Cc2ccc(C#N)cc2C)C[C@@H]1C ZINC000614403444 352089882 /nfs/dbraw/zinc/08/98/82/352089882.db2.gz YJPTWRINYDDEKO-LSDHHAIUSA-N 0 1 271.408 2.781 20 30 CFEDMN CCC[C@@H](C)N1CCN(c2oc(C3CC3)nc2C#N)CC1 ZINC000614524349 352100782 /nfs/dbraw/zinc/10/07/82/352100782.db2.gz NDOIPEIATJURRL-GFCCVEGCSA-N 0 1 288.395 2.734 20 30 CFEDMN C=CCNC(=O)[C@H](C)N[C@H](C)c1ccccc1OC(C)C ZINC000614573391 352104725 /nfs/dbraw/zinc/10/47/25/352104725.db2.gz DLIUUCJGXSJLPV-KGLIPLIRSA-N 0 1 290.407 2.815 20 30 CFEDMN CSc1cc(NC(=O)c2ccc(C#N)c(O)c2)ccn1 ZINC000615430280 352192455 /nfs/dbraw/zinc/19/24/55/352192455.db2.gz CUENQQTWRDBBST-UHFFFAOYSA-N 0 1 285.328 2.633 20 30 CFEDMN N#C[C@@]1(F)CCN(Cc2cnc(-c3ccccc3)[nH]2)C1 ZINC000615650109 352224179 /nfs/dbraw/zinc/22/41/79/352224179.db2.gz FFKSEIYTHCIOEM-HNNXBMFYSA-N 0 1 270.311 2.514 20 30 CFEDMN N#C[C@]1(F)CCN(Cc2cnc(-c3ccccc3)[nH]2)C1 ZINC000615650110 352224456 /nfs/dbraw/zinc/22/44/56/352224456.db2.gz FFKSEIYTHCIOEM-OAHLLOKOSA-N 0 1 270.311 2.514 20 30 CFEDMN C=CCC1(NC(=O)[C@H]2CCc3[nH]cnc3C2)CCCCC1 ZINC000615960928 352267346 /nfs/dbraw/zinc/26/73/46/352267346.db2.gz JBDAXUQOWDEBDO-ZDUSSCGKSA-N 0 1 287.407 2.910 20 30 CFEDMN CC(C)n1cc(CNCc2ccc(OCC#N)cc2)cn1 ZINC000171841657 539859388 /nfs/dbraw/zinc/85/93/88/539859388.db2.gz IKUCFDHQTUIZPJ-UHFFFAOYSA-N 0 1 284.363 2.656 20 30 CFEDMN C=C(Cl)CN[C@@H](C)c1ccc2c(c1)CC(=O)N2C ZINC000271541381 191202455 /nfs/dbraw/zinc/20/24/55/191202455.db2.gz UHDZGNYHAXPCFC-JTQLQIEISA-N 0 1 264.756 2.609 20 30 CFEDMN N#Cc1ccc(CN2CC[C@@H](C(F)F)C2)cc1F ZINC000616768806 352427471 /nfs/dbraw/zinc/42/74/71/352427471.db2.gz PEYYSWDMUAPSBF-LLVKDONJSA-N 0 1 254.255 2.784 20 30 CFEDMN C=CC[C@@H]1CCCC[C@H]1NC(=O)c1[nH]nc(C)c1C ZINC000617040356 352475796 /nfs/dbraw/zinc/47/57/96/352475796.db2.gz SSYDMHJPTMWSBZ-CHWSQXEVSA-N 0 1 261.369 2.891 20 30 CFEDMN C=CC[C@@H]1CCCC[C@@H]1NC(=O)[C@@H]1CCc2[nH]cnc2C1 ZINC000617044055 352479197 /nfs/dbraw/zinc/47/91/97/352479197.db2.gz IDCAELNTRUBEFJ-MCIONIFRSA-N 0 1 287.407 2.766 20 30 CFEDMN C=CC[C@H]1CCCN(C(=O)c2ccc3cncn3c2)C1 ZINC000617778654 352642594 /nfs/dbraw/zinc/64/25/94/352642594.db2.gz LIWYBWGQAHHCDJ-ZDUSSCGKSA-N 0 1 269.348 2.763 20 30 CFEDMN C=CC[C@H]1CCCN(C(=O)c2cc(C(C)C)[nH]n2)C1 ZINC000617785858 352646460 /nfs/dbraw/zinc/64/64/60/352646460.db2.gz OUVCNDLENOVXIP-LBPRGKRZSA-N 0 1 261.369 2.961 20 30 CFEDMN C=Cn1cc(CN[C@H]2CCc3cc(C#N)ccc32)cn1 ZINC000618741414 352875933 /nfs/dbraw/zinc/87/59/33/352875933.db2.gz FYFCGJYITISKOD-INIZCTEOSA-N 0 1 264.332 2.632 20 30 CFEDMN CC(C)[C@H](C#N)N1CCN([C@H]2CCc3ccccc32)CC1 ZINC000618752651 352876870 /nfs/dbraw/zinc/87/68/70/352876870.db2.gz OJWJRQNALMHHFF-ROUUACIJSA-N 0 1 283.419 2.840 20 30 CFEDMN CCN(Cc1ccc(Br)cc1C#N)[C@H](C)CO ZINC000292174419 198191625 /nfs/dbraw/zinc/19/16/25/198191625.db2.gz MBCVDBZDMVNJQV-SNVBAGLBSA-N 0 1 297.196 2.523 20 30 CFEDMN N#CCCN1CCN(Cc2ccc(C3CCC3)cc2)CC1 ZINC000618752764 352877061 /nfs/dbraw/zinc/87/70/61/352877061.db2.gz YXBVNRAIITXYEQ-UHFFFAOYSA-N 0 1 283.419 2.985 20 30 CFEDMN N#Cc1cc(CN2CCOC[C@H](C3CCC3)C2)ccc1F ZINC000292223426 198208707 /nfs/dbraw/zinc/20/87/07/198208707.db2.gz VDNZHHPNDXPKRN-MRXNPFEDSA-N 0 1 288.366 2.946 20 30 CFEDMN C[C@H](NCc1ccc(C#N)c(Cl)c1)c1ccnn1C ZINC000619755124 353063457 /nfs/dbraw/zinc/06/34/57/353063457.db2.gz UHTFQVOBNDSAGS-JTQLQIEISA-N 0 1 274.755 2.796 20 30 CFEDMN CCn1nccc1CNCc1ccc(C#N)c(Cl)c1 ZINC000619748449 353063786 /nfs/dbraw/zinc/06/37/86/353063786.db2.gz LRXBVTVMLGTVDC-UHFFFAOYSA-N 0 1 274.755 2.718 20 30 CFEDMN CC(C)N1CCN([C@@H](C#N)c2ccc(Cl)cc2)CC1 ZINC000619784814 353066801 /nfs/dbraw/zinc/06/68/01/353066801.db2.gz UWSCFOGBRNWVFZ-HNNXBMFYSA-N 0 1 277.799 2.931 20 30 CFEDMN C[C@H](NCC(=O)N1[C@H](C)CCC[C@@H]1C)c1ccc(C#N)cc1 ZINC000271657532 191263364 /nfs/dbraw/zinc/26/33/64/191263364.db2.gz KMBPMLANQOLTEK-ZNMIVQPWSA-N 0 1 299.418 2.998 20 30 CFEDMN C=C[C@@](C)(CC)C(=O)NC[C@@H]1CCN1Cc1ccccc1 ZINC000620782663 353232518 /nfs/dbraw/zinc/23/25/18/353232518.db2.gz OFPDWAUEJVDWTJ-WMZOPIPTSA-N 0 1 286.419 2.979 20 30 CFEDMN C=CCN(C)Cc1cnc2ccc(Br)cn12 ZINC000154759843 188159939 /nfs/dbraw/zinc/15/99/39/188159939.db2.gz XNYLIHDQGCDHTH-UHFFFAOYSA-N 0 1 280.169 2.715 20 30 CFEDMN C=CCC(C)(C)C(=O)NC[C@@H]1CCN1Cc1ccccc1 ZINC000620777398 353231227 /nfs/dbraw/zinc/23/12/27/353231227.db2.gz DWVJVAJUCPJUPD-INIZCTEOSA-N 0 1 286.419 2.979 20 30 CFEDMN C=CCCC(C)(C)NC(=O)CN1CCC(C)CC1 ZINC000620858653 353242621 /nfs/dbraw/zinc/24/26/21/353242621.db2.gz MYKSQNDWWJURTQ-UHFFFAOYSA-N 0 1 252.402 2.579 20 30 CFEDMN C=C(C)CN(CC)C(=O)CN[C@H](C)c1ccc(OC)cc1 ZINC000271677958 191272063 /nfs/dbraw/zinc/27/20/63/191272063.db2.gz OIQXOCRGXBPWKA-CQSZACIVSA-N 0 1 290.407 2.770 20 30 CFEDMN C=CCN(CC=C)Cc1cn(C)nc1-c1ccncc1 ZINC000158140607 188359399 /nfs/dbraw/zinc/35/93/99/188359399.db2.gz WVWVHBRFYZNRMN-UHFFFAOYSA-N 0 1 268.364 2.656 20 30 CFEDMN C=C[C@@H](C)NCc1cc(OCC)c(OC)cc1F ZINC000623445128 353647037 /nfs/dbraw/zinc/64/70/37/353647037.db2.gz DDQFFGLCEDVMMH-SNVBAGLBSA-N 0 1 253.317 2.897 20 30 CFEDMN C=C(C)CN(CC)C(=O)CN[C@@H](C)c1ccc(C#N)cc1 ZINC000271720856 191289750 /nfs/dbraw/zinc/28/97/50/191289750.db2.gz XSCHHGSQSCNQEJ-AWEZNQCLSA-N 0 1 285.391 2.633 20 30 CFEDMN C=CC[C@H]1CCN(CC(=O)Nc2ccccc2OC)C1 ZINC000625700152 354087879 /nfs/dbraw/zinc/08/78/79/354087879.db2.gz HXILCPCQISPPSW-ZDUSSCGKSA-N 0 1 274.364 2.532 20 30 CFEDMN C=CC[C@@H]1CC[N@@H+](CC(=O)N2CCCc3ccccc32)C1 ZINC000625699232 354088333 /nfs/dbraw/zinc/08/83/33/354088333.db2.gz BNAALRCTAXCAAG-OAHLLOKOSA-N 0 1 284.403 2.864 20 30 CFEDMN C=CC[C@H]1CCN(CCCS(=O)(=O)c2ccccc2)C1 ZINC000625700768 354088663 /nfs/dbraw/zinc/08/86/63/354088663.db2.gz LQQKGJBKOIFXBM-HNNXBMFYSA-N 0 1 293.432 2.748 20 30 CFEDMN C=CC[C@H]1CCN(Cc2nc(CC(F)(F)F)no2)C1 ZINC000625701373 354088831 /nfs/dbraw/zinc/08/88/31/354088831.db2.gz QLVROAYQUZRLIY-VIFPVBQESA-N 0 1 275.274 2.572 20 30 CFEDMN C=CC[C@@H]1CCN(Cc2nncn2-c2ccccc2)C1 ZINC000625701244 354088880 /nfs/dbraw/zinc/08/88/80/354088880.db2.gz HXSQNQFOVHXRJG-CQSZACIVSA-N 0 1 268.364 2.665 20 30 CFEDMN C=CC[C@H]1CCN(CC(=O)N(CC(F)(F)F)C(C)C)C1 ZINC000625701898 354089308 /nfs/dbraw/zinc/08/93/08/354089308.db2.gz UJJGMMXZIKRWRV-LBPRGKRZSA-N 0 1 292.345 2.684 20 30 CFEDMN C=CC[C@H]1CC[N@@H+](Cc2nc(=O)c3sccc3[n-]2)C1 ZINC000625705647 354092448 /nfs/dbraw/zinc/09/24/48/354092448.db2.gz WWOZSGYFJDUXJS-JTQLQIEISA-N 0 1 275.377 2.795 20 30 CFEDMN C=CCC1(NCc2nc(N(C)C)no2)CCCCC1 ZINC000625935215 354148730 /nfs/dbraw/zinc/14/87/30/354148730.db2.gz RGVDLMFOFAIAJN-UHFFFAOYSA-N 0 1 264.373 2.504 20 30 CFEDMN C=CC[C@@H]1CCN(C(=O)Nc2cnn(-c3ccncc3)c2)C1 ZINC000626410513 354263303 /nfs/dbraw/zinc/26/33/03/354263303.db2.gz KSCGAUPZJVOHQT-CYBMUJFWSA-N 0 1 297.362 2.697 20 30 CFEDMN C=CC(C)(C)CCNC(=O)Nc1cnn(-c2ccncc2)c1 ZINC000626410813 354263485 /nfs/dbraw/zinc/26/34/85/354263485.db2.gz XZPHTGUWKHRLQA-UHFFFAOYSA-N 0 1 299.378 2.991 20 30 CFEDMN C=CC(C)(C)CCNC(=O)c1cccc(-c2nnc[nH]2)c1 ZINC000628314936 354540518 /nfs/dbraw/zinc/54/05/18/354540518.db2.gz SDAJWQSPMINAFR-UHFFFAOYSA-N 0 1 284.363 2.804 20 30 CFEDMN C=CCOc1c(Cl)cc(CNCCF)cc1OC ZINC000628258588 354508103 /nfs/dbraw/zinc/50/81/03/354508103.db2.gz KDRBAYKDANUIDT-UHFFFAOYSA-N 0 1 273.735 2.973 20 30 CFEDMN CCc1nc[nH]c1C(=O)Nc1cc(C#N)ccc1NC1CC1 ZINC000823554117 781933431 /nfs/dbraw/zinc/93/34/31/781933431.db2.gz YAPUWKQLSFSAIS-UHFFFAOYSA-N 0 1 295.346 2.670 20 30 CFEDMN N#CC1(CN[C@@H]2c3ccccc3CC23CCOCC3)CC1 ZINC000336189677 283046437 /nfs/dbraw/zinc/04/64/37/283046437.db2.gz JRVDFAXZRXGNMK-MRXNPFEDSA-N 0 1 282.387 2.974 20 30 CFEDMN C=CCN1C(=O)N=NC1SCC1CC(C)(C)C1 ZINC000629161072 354762624 /nfs/dbraw/zinc/76/26/24/354762624.db2.gz GBPVNUZHJQGJKG-UHFFFAOYSA-N 0 1 253.371 2.698 20 30 CFEDMN C=CC[C@H]1CC[N@H+](Cc2ccc(C(=O)[O-])s2)C1 ZINC000629366201 354789603 /nfs/dbraw/zinc/78/96/03/354789603.db2.gz JGHZTACINRPCGJ-JTQLQIEISA-N 0 1 251.351 2.844 20 30 CFEDMN N#C[C@]1(C(=O)N2CCC(c3cnc[nH]3)CC2)CC12CCCC2 ZINC000333499647 283070879 /nfs/dbraw/zinc/07/08/79/283070879.db2.gz CKHONVHYDXTMNF-KRWDZBQOSA-N 0 1 298.390 2.590 20 30 CFEDMN C=C1CC(C)(C(=O)NCc2ccc3nc[nH]c3c2)C1 ZINC000633294629 355859697 /nfs/dbraw/zinc/85/96/97/355859697.db2.gz DDWQFHHSQFAPCO-UHFFFAOYSA-N 0 1 255.321 2.535 20 30 CFEDMN C=CCCC(C)(C)CNC(=O)N(C)Cc1cnc[nH]1 ZINC000633410467 355894736 /nfs/dbraw/zinc/89/47/36/355894736.db2.gz NEMBUVZLTFXSQX-UHFFFAOYSA-N 0 1 264.373 2.544 20 30 CFEDMN N#Cc1cccc(C(=O)Nc2ncc(C(F)(F)F)[nH]2)c1 ZINC000334350100 283204883 /nfs/dbraw/zinc/20/48/83/283204883.db2.gz VGTGXYCRFCZVFO-UHFFFAOYSA-N 0 1 280.209 2.552 20 30 CFEDMN N#Cc1csc(C(=O)Nc2nc3ccc(F)cc3[nH]2)c1 ZINC000488957001 283246789 /nfs/dbraw/zinc/24/67/89/283246789.db2.gz SDDXLJMOHSOASB-UHFFFAOYSA-N 0 1 286.291 2.887 20 30 CFEDMN CS[C@@H]1CCN(Cc2cc(C#N)ccc2F)C1 ZINC000294385308 199019994 /nfs/dbraw/zinc/01/99/94/199019994.db2.gz IZQLINUVYQXWEB-GFCCVEGCSA-N 0 1 250.342 2.635 20 30 CFEDMN C=C(C)[C@@H]1OCC[C@@H]1C[NH2+]Cc1c(F)ccc([O-])c1F ZINC000294499639 199063588 /nfs/dbraw/zinc/06/35/88/199063588.db2.gz BKILMLGVSMVLAN-BMIGLBTASA-N 0 1 283.318 2.741 20 30 CFEDMN C=CC(C)(C)C(=O)NC[C@@H](c1ccco1)N(CC)CC ZINC000294606356 199104373 /nfs/dbraw/zinc/10/43/73/199104373.db2.gz DFTZCWOTRFISAZ-ZDUSSCGKSA-N 0 1 278.396 2.991 20 30 CFEDMN C=CCC[C@@H](C)NCc1ncc(C(F)(F)F)cn1 ZINC000294724689 199153142 /nfs/dbraw/zinc/15/31/42/199153142.db2.gz CUCMKRCFKSPQBN-SECBINFHSA-N 0 1 259.275 2.940 20 30 CFEDMN C=CCn1c([C@H](C)CC)nnc1N1CCN(CC)[C@H](C)C1 ZINC000669811962 540574854 /nfs/dbraw/zinc/57/48/54/540574854.db2.gz LYDJYAFPPHVEDT-ZIAGYGMSSA-N 0 1 291.443 2.508 20 30 CFEDMN C=CCC[C@H](O)CN1CC[C@](F)(c2ccccc2)C1 ZINC000669943036 540624068 /nfs/dbraw/zinc/62/40/68/540624068.db2.gz SZQQRAPGTYNPJN-JKSUJKDBSA-N 0 1 263.356 2.884 20 30 CFEDMN C=CCCCCCCCCNC(=O)N(C)Cc1nnc[nH]1 ZINC000298067150 200326383 /nfs/dbraw/zinc/32/63/83/200326383.db2.gz USLBHLZQVQZSDO-UHFFFAOYSA-N 0 1 293.415 2.863 20 30 CFEDMN COCCCN(CC#Cc1ccc(Cl)cc1)CCOC ZINC000177040311 189023534 /nfs/dbraw/zinc/02/35/34/189023534.db2.gz YMDWDTPUKFUUKO-UHFFFAOYSA-N 0 1 295.810 2.676 20 30 CFEDMN CCN(CC(=O)Nc1sc(C)c(C)c1C#N)C(C)C ZINC000177087962 189028067 /nfs/dbraw/zinc/02/80/67/189028067.db2.gz KTYXMZMZXALJQY-UHFFFAOYSA-N 0 1 279.409 2.905 20 30 CFEDMN C=CCNC(=O)CN[C@@H]1CCSc2c(Cl)cccc21 ZINC000347349797 540715519 /nfs/dbraw/zinc/71/55/19/540715519.db2.gz VUHRMQNBOWUFGH-GFCCVEGCSA-N 0 1 296.823 2.769 20 30 CFEDMN C=CC[C@@H](Cc1ccccc1)NC(=O)CCc1cnc[nH]1 ZINC000412838804 540807432 /nfs/dbraw/zinc/80/74/32/540807432.db2.gz KSNMWOQWYUBIEK-HNNXBMFYSA-N 0 1 283.375 2.646 20 30 CFEDMN C#CCCCCC(=O)NC[C@H](c1ccc(F)cc1)N(C)C ZINC000179791206 189220490 /nfs/dbraw/zinc/22/04/90/189220490.db2.gz YUOAJCLEYFIMQJ-MRXNPFEDSA-N 0 1 290.382 2.738 20 30 CFEDMN C#CCCCCC(=O)NCc1ccc(F)c(CN(C)C)c1 ZINC000180179872 189241190 /nfs/dbraw/zinc/24/11/90/189241190.db2.gz NFHWQILCRQDYEM-UHFFFAOYSA-N 0 1 290.382 2.697 20 30 CFEDMN CN(CCc1nccs1)Cc1ccc(C#N)s1 ZINC000180180235 189242136 /nfs/dbraw/zinc/24/21/36/189242136.db2.gz MVAQARMROLZOJK-UHFFFAOYSA-N 0 1 263.391 2.751 20 30 CFEDMN C=CCNC(=O)CN[C@@H](C)c1cc(C)ccc1OC(F)F ZINC000180027418 189233210 /nfs/dbraw/zinc/23/32/10/189233210.db2.gz IQCTVYNGMWKNBQ-NSHDSACASA-N 0 1 298.333 2.549 20 30 CFEDMN C#CCCCCC(=O)NCc1nc2ccc(F)cc2[nH]1 ZINC000180310775 189249365 /nfs/dbraw/zinc/24/93/65/189249365.db2.gz PXBJUNWFXQABDI-UHFFFAOYSA-N 0 1 273.311 2.512 20 30 CFEDMN COc1ccccc1[C@@H](CNc1ccc(C#N)nc1)N(C)C ZINC000301579057 201078935 /nfs/dbraw/zinc/07/89/35/201078935.db2.gz NCRKCMBUMSJBCR-MRXNPFEDSA-N 0 1 296.374 2.677 20 30 CFEDMN N#Cc1ccc(NC[C@H](c2ccco2)N2CCCCC2)nn1 ZINC000301829527 201222973 /nfs/dbraw/zinc/22/29/73/201222973.db2.gz GWSPFIYTPUZYEU-CQSZACIVSA-N 0 1 297.362 2.580 20 30 CFEDMN C=C[C@@](C)(O)C(=O)Nc1ccc2nc(CCCC)[nH]c2c1 ZINC000667370982 541223794 /nfs/dbraw/zinc/22/37/94/541223794.db2.gz RMQYLSNWZCAYFX-MRXNPFEDSA-N 0 1 287.363 2.781 20 30 CFEDMN C=CCCn1cc(CN2C[C@@H](C(C)C)[C@H]2C(C)C)nn1 ZINC000668220103 541406527 /nfs/dbraw/zinc/40/65/27/541406527.db2.gz DBVIVFAGPNWNIP-JKSUJKDBSA-N 0 1 276.428 2.967 20 30 CFEDMN CC(=Cc1ccc(C#N)cc1F)c1nc(C)c(C#N)c(=O)[nH]1 ZINC000435335644 240303515 /nfs/dbraw/zinc/30/35/15/240303515.db2.gz JYUJCEMYAMBGCN-WEVVVXLNSA-N 0 1 294.289 2.521 20 30 CFEDMN Cc1cc(CN[C@@H](C)C(=O)N2CCCC[C@@H]2C)ccc1C#N ZINC000443970728 241100252 /nfs/dbraw/zinc/10/02/52/241100252.db2.gz SHBGDFXHVOVVMV-GJZGRUSLSA-N 0 1 299.418 2.746 20 30 CFEDMN CC(C)[C@@H]1CCC[N@@H+](CC(=O)NCc2ccc(C#N)cc2)C1 ZINC000444764025 241187289 /nfs/dbraw/zinc/18/72/89/241187289.db2.gz ADPDAWHEGSIWMI-QGZVFWFLSA-N 0 1 299.418 2.542 20 30 CFEDMN CCc1nnc(SCc2ccc(C#N)c(C)c2)[nH]1 ZINC000447310875 241364843 /nfs/dbraw/zinc/36/48/43/241364843.db2.gz CKQRADQLOVEAKW-UHFFFAOYSA-N 0 1 258.350 2.840 20 30 CFEDMN CCc1n[nH]c(SCc2ccc(C#N)c(C)c2)n1 ZINC000447310875 241364850 /nfs/dbraw/zinc/36/48/50/241364850.db2.gz CKQRADQLOVEAKW-UHFFFAOYSA-N 0 1 258.350 2.840 20 30 CFEDMN CC[C@@H](C)N1CCN(Cc2cc(C#N)cs2)CC1 ZINC000449626100 242073903 /nfs/dbraw/zinc/07/39/03/242073903.db2.gz CTDIZFKCDVRNBX-GFCCVEGCSA-N 0 1 263.410 2.536 20 30 CFEDMN COc1ccc(CN2CCSC[C@H]2C2CC2)cc1C#N ZINC000449529368 242005248 /nfs/dbraw/zinc/00/52/48/242005248.db2.gz WOMBKWDZPFNPJK-HNNXBMFYSA-N 0 1 288.416 2.894 20 30 CFEDMN Cc1c(C#N)c(N2CCN(C(C)C)CC2)nc2ccccc12 ZINC000450247386 242324497 /nfs/dbraw/zinc/32/44/97/242324497.db2.gz NPIIIQPWNNRTIS-UHFFFAOYSA-N 0 1 294.402 2.945 20 30 CFEDMN C=CCC[C@H](NC(=O)[C@H](C)N(C)C)c1ccccc1 ZINC000676477397 541755960 /nfs/dbraw/zinc/75/59/60/541755960.db2.gz IDPNEXHBOMVUQM-ZFWWWQNUSA-N 0 1 260.381 2.760 20 30 CFEDMN CN(CC#Cc1ccc(F)cc1)CCOC(C)(C)C ZINC000676633000 541773485 /nfs/dbraw/zinc/77/34/85/541773485.db2.gz RVCBMUUSPVKAQX-UHFFFAOYSA-N 0 1 263.356 2.924 20 30 CFEDMN C=CCCN(C)Cc1nnc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000276400563 193316198 /nfs/dbraw/zinc/31/61/98/193316198.db2.gz KNOAUVPHCVNUHC-UHFFFAOYSA-N 0 1 288.307 2.653 20 30 CFEDMN C=CCCN(C)[C@@H](C)C(=O)Nc1nc(C)c(C)s1 ZINC000276492800 193355093 /nfs/dbraw/zinc/35/50/93/193355093.db2.gz VBYZBXNKTKNQNA-JTQLQIEISA-N 0 1 267.398 2.595 20 30 CFEDMN CCC#C[C@H](C)N1CCN(c2cccc(OC)c2)CC1 ZINC000677046723 541812871 /nfs/dbraw/zinc/81/28/71/541812871.db2.gz HFZQMFBORJRLKN-HNNXBMFYSA-N 0 1 272.392 2.619 20 30 CFEDMN CN(Cc1ccc(C#N)cc1)Cc1cc(=O)[nH]c(C2CC2)n1 ZINC000459300219 245128210 /nfs/dbraw/zinc/12/82/10/245128210.db2.gz VJAKDZBMBAGHQQ-UHFFFAOYSA-N 0 1 294.358 2.563 20 30 CFEDMN COCCC1(C)CN(Cc2ccc(C#N)c(C)c2)C1 ZINC000459642087 245257860 /nfs/dbraw/zinc/25/78/60/245257860.db2.gz YSFKTHPEMIFCNE-UHFFFAOYSA-N 0 1 258.365 2.725 20 30 CFEDMN Cc1cccc(NC(=O)C[C@@H](C)NCC2(C#N)CC2)c1C ZINC000574384774 335014810 /nfs/dbraw/zinc/01/48/10/335014810.db2.gz KKUATXOXKUZWDD-CYBMUJFWSA-N 0 1 285.391 2.914 20 30 CFEDMN CCN1CCN([C@@H](C#N)c2cccc(Cl)c2)CC1 ZINC000019934414 372211492 /nfs/dbraw/zinc/21/14/92/372211492.db2.gz XABKOBXZGYBNEN-AWEZNQCLSA-N 0 1 263.772 2.542 20 30 CFEDMN N#CCSc1nc(-c2ccc(Cl)cc2)n[nH]1 ZINC000028831316 372371560 /nfs/dbraw/zinc/37/15/60/372371560.db2.gz MOJRUKKOWIMDLO-UHFFFAOYSA-N 0 1 250.714 2.741 20 30 CFEDMN C[C@H](N[C@@H](C)c1cccc(C#N)c1)C(=O)N1CCCCC1 ZINC000037784444 372708339 /nfs/dbraw/zinc/70/83/39/372708339.db2.gz YBIUYEKOYXFLKA-KBPBESRZSA-N 0 1 285.391 2.610 20 30 CFEDMN C=C(C)CN(CC)C(=O)[C@H](C)N1CCc2ccccc2C1 ZINC000042242171 372893057 /nfs/dbraw/zinc/89/30/57/372893057.db2.gz CQKSVQMHKTXHPZ-HNNXBMFYSA-N 0 1 286.419 2.858 20 30 CFEDMN C[C@@H](c1ccc(S(C)(=O)=O)cc1)N(C)CCCCC#N ZINC000263833376 383688555 /nfs/dbraw/zinc/68/85/55/383688555.db2.gz WEEXQCKEQCZPIE-ZDUSSCGKSA-N 0 1 294.420 2.777 20 30 CFEDMN CCC1CCN([C@@H](C)C(=O)N[C@@](C)(C#N)C(C)C)CC1 ZINC000048596243 373205822 /nfs/dbraw/zinc/20/58/22/373205822.db2.gz RUUVNYSUGMRPAF-BBRMVZONSA-N 0 1 279.428 2.551 20 30 CFEDMN CC[C@H](CC#N)N[C@@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC000054184048 373504783 /nfs/dbraw/zinc/50/47/83/373504783.db2.gz BLZGFAYUUBRAMD-CHWSQXEVSA-N 0 1 281.400 2.668 20 30 CFEDMN CCCN1CCN(c2cc(Cl)ccc2C#N)CC1 ZINC000062789849 373765494 /nfs/dbraw/zinc/76/54/94/373765494.db2.gz QVVTWYNTUGTLIA-UHFFFAOYSA-N 0 1 263.772 2.744 20 30 CFEDMN CC[C@H](C)NC(=O)CN(Cc1ccc(C#N)cc1)C(C)C ZINC000063751106 373814951 /nfs/dbraw/zinc/81/49/51/373814951.db2.gz QSBFILSZUDHPKU-AWEZNQCLSA-N 0 1 287.407 2.683 20 30 CFEDMN COCC1(N(C)CC#Cc2cccc(Cl)c2)CC1 ZINC000677728134 541895298 /nfs/dbraw/zinc/89/52/98/541895298.db2.gz BJLHDDAAMIHZRT-UHFFFAOYSA-N 0 1 263.768 2.802 20 30 CFEDMN C=CCOc1ccccc1C[N@@H+]1CCC[C@@H](C(=O)[O-])C1 ZINC000066115124 373911552 /nfs/dbraw/zinc/91/15/52/373911552.db2.gz KAYCITHSIJGZBM-CQSZACIVSA-N 0 1 275.348 2.548 20 30 CFEDMN COCC1CCN(Cc2ccc(C#N)cc2F)CC1 ZINC000070081035 374124161 /nfs/dbraw/zinc/12/41/61/374124161.db2.gz WSKNOMMQKUFDHU-UHFFFAOYSA-N 0 1 262.328 2.556 20 30 CFEDMN C=CCNC(=O)[C@H](C)N(C)CC(C)(C)c1ccc(C)cc1 ZINC000072759411 374284760 /nfs/dbraw/zinc/28/47/60/374284760.db2.gz YVRGURAGIDXPRM-HNNXBMFYSA-N 0 1 288.435 2.895 20 30 CFEDMN C[C@@H]1CCCCN1Cc1nnc(-c2ccc(C#N)cc2)o1 ZINC000075617506 374495370 /nfs/dbraw/zinc/49/53/70/374495370.db2.gz LCUVQDNLCRNXQV-GFCCVEGCSA-N 0 1 282.347 2.983 20 30 CFEDMN CCCNc1ccc(C#N)cc1NC(=O)CN(CC)CC ZINC000081731495 374713495 /nfs/dbraw/zinc/71/34/95/374713495.db2.gz SDSUHCRWUUIMTH-UHFFFAOYSA-N 0 1 288.395 2.660 20 30 CFEDMN CCOC(=O)[C@@H]1CCC[C@@H]1NCc1cccc(F)c1C#N ZINC000451782166 383705533 /nfs/dbraw/zinc/70/55/33/383705533.db2.gz KCGSXLPESUUTDD-DOMZBBRYSA-N 0 1 290.338 2.519 20 30 CFEDMN CN(Cc1cc(C#N)ccc1F)[C@@H](CO)CC(C)(C)C ZINC000451781936 383705709 /nfs/dbraw/zinc/70/57/09/383705709.db2.gz QDZZWOIMPPZCQJ-CQSZACIVSA-N 0 1 278.371 2.926 20 30 CFEDMN CN(Cc1ccc(F)cc1C#N)[C@H](CO)CC(C)(C)C ZINC000451783193 383705785 /nfs/dbraw/zinc/70/57/85/383705785.db2.gz RQUCQKYWPSRCOA-HNNXBMFYSA-N 0 1 278.371 2.926 20 30 CFEDMN Cc1[nH]nc2cc(NC(=O)c3ccc(C#N)cc3)ccc12 ZINC000091835316 375064104 /nfs/dbraw/zinc/06/41/04/375064104.db2.gz PIUHGEBNLPOYHB-UHFFFAOYSA-N 0 1 276.299 2.995 20 30 CFEDMN N#Cc1ccc(CN(CCc2ccccc2)[C@@H]2CCOC2)o1 ZINC000091902348 375068948 /nfs/dbraw/zinc/06/89/48/375068948.db2.gz FRXWJWGTXKLQGH-MRXNPFEDSA-N 0 1 296.370 2.985 20 30 CFEDMN C=CCOc1ccc(CN2CCc3cn[nH]c3C2)cc1 ZINC000678273948 541994960 /nfs/dbraw/zinc/99/49/60/541994960.db2.gz XJEBOXRRZFBWSW-UHFFFAOYSA-N 0 1 269.348 2.533 20 30 CFEDMN CCC1(CO)CCN(Cc2cc(C#N)cs2)CC1 ZINC000093592435 375269181 /nfs/dbraw/zinc/26/91/81/375269181.db2.gz LMDBGGHMKAHTPJ-UHFFFAOYSA-N 0 1 264.394 2.604 20 30 CFEDMN COCc1ccc(C(=O)C(C#N)c2nc3ccccc3[nH]2)o1 ZINC000097261611 375546232 /nfs/dbraw/zinc/54/62/32/375546232.db2.gz OESFSDDPUIWTPC-LLVKDONJSA-N 0 1 295.298 2.792 20 30 CFEDMN C#CCN1CCC[C@H](c2nc(-c3cccc(F)c3)no2)C1 ZINC000102401572 375672419 /nfs/dbraw/zinc/67/24/19/375672419.db2.gz ZSRQHZFUKXCHBP-ZDUSSCGKSA-N 0 1 285.322 2.688 20 30 CFEDMN CCC#C[C@@H](C)N1CCC[C@@H](c2nncn2C2CC2)C1 ZINC000678717901 542061536 /nfs/dbraw/zinc/06/15/36/542061536.db2.gz ASVYBGJUAGKGBO-ZIAGYGMSSA-N 0 1 272.396 2.594 20 30 CFEDMN Cc1oc(NC(=O)[C@H](C)N(C)CC2CCC2)c(C#N)c1C ZINC000111299221 375836503 /nfs/dbraw/zinc/83/65/03/375836503.db2.gz LIHFHNXDWIDWRW-NSHDSACASA-N 0 1 289.379 2.827 20 30 CFEDMN C=C(C)[C@@H](CO)N[C@H](CC)c1cc(F)ccc1F ZINC000678784276 542069143 /nfs/dbraw/zinc/06/91/43/542069143.db2.gz ZTEZHPZSDBNXQJ-ZIAGYGMSSA-N 0 1 255.308 2.943 20 30 CFEDMN CC(C)[C@](C)(C#N)NC(=O)[C@H](C)N1CCCC(C)(C)C1 ZINC000112702829 375950349 /nfs/dbraw/zinc/95/03/49/375950349.db2.gz LFKWIIMMOQCNMO-BBRMVZONSA-N 0 1 279.428 2.551 20 30 CFEDMN C#CCCCCC(=O)NC[C@H](c1ccco1)N1CCCC1 ZINC000119490314 376423338 /nfs/dbraw/zinc/42/33/38/376423338.db2.gz WMQCRSFVBADLRI-OAHLLOKOSA-N 0 1 288.391 2.726 20 30 CFEDMN CCN(Cc1ncc(-c2ccc(C#N)cc2)o1)CC(C)(C)O ZINC000120075285 376539900 /nfs/dbraw/zinc/53/99/00/376539900.db2.gz SLIFYHMQDQPFLO-UHFFFAOYSA-N 0 1 299.374 2.806 20 30 CFEDMN COc1cc(C#N)ccc1CN1CC[C@@H](OCC(C)C)C1 ZINC000121213834 376783895 /nfs/dbraw/zinc/78/38/95/376783895.db2.gz RZFSVPDELHNSMX-MRXNPFEDSA-N 0 1 288.391 2.814 20 30 CFEDMN N#Cc1ccc(CN2CCC[C@H](c3cc[nH]n3)C2)s1 ZINC000121262296 376793604 /nfs/dbraw/zinc/79/36/04/376793604.db2.gz MMJYDBBOBAQTAQ-NSHDSACASA-N 0 1 272.377 2.722 20 30 CFEDMN C=CCN(C)[C@H](CC)C(=O)Nc1ccc(OC)cc1 ZINC000121371227 376815397 /nfs/dbraw/zinc/81/53/97/376815397.db2.gz UZPACTHPAULCMP-CQSZACIVSA-N 0 1 262.353 2.530 20 30 CFEDMN Cc1cccc(C(=O)C(C#N)c2nc3ccccc3n2C)n1 ZINC000122890967 376939746 /nfs/dbraw/zinc/93/97/46/376939746.db2.gz FWLKEXOTVHCMDQ-GFCCVEGCSA-N 0 1 290.326 2.767 20 30 CFEDMN C=CCOc1ccc(C[N@@H+](C)C[C@@H]2CCCO2)cc1OC ZINC000124633266 377072487 /nfs/dbraw/zinc/07/24/87/377072487.db2.gz UJLCCWHFUHGPTH-HNNXBMFYSA-N 0 1 291.391 2.871 20 30 CFEDMN C[C@@H]1C[C@H](NC2CC(C#N)(c3ccccc3)C2)C[N@@H+]1C1CC1 ZINC000127603376 377290230 /nfs/dbraw/zinc/29/02/30/377290230.db2.gz ACRYBZNZIUUPAX-IGGSBBPBSA-N 0 1 295.430 2.825 20 30 CFEDMN C=CCOc1ccc(CN2CCN(C3CC3)CC2)cc1 ZINC000127877159 377305449 /nfs/dbraw/zinc/30/54/49/377305449.db2.gz LQFFRDZUUDHKSQ-UHFFFAOYSA-N 0 1 272.392 2.531 20 30 CFEDMN CCN1CCCC[C@@H]1C(=O)N[C@H](C)c1ccc(C#N)cc1 ZINC000264294299 383721268 /nfs/dbraw/zinc/72/12/68/383721268.db2.gz QIEDFXFUVRMZAP-CZUORRHYSA-N 0 1 285.391 2.610 20 30 CFEDMN N#Cc1ccc(CN2CCC[C@@H](n3cccn3)C2)s1 ZINC000130262462 377530177 /nfs/dbraw/zinc/53/01/77/377530177.db2.gz YMUXUCQOKISHGO-GFCCVEGCSA-N 0 1 272.377 2.653 20 30 CFEDMN C=CCN(CC=C)C(=O)c1cc(-c2cccs2)[nH]n1 ZINC000131683760 377746090 /nfs/dbraw/zinc/74/60/90/377746090.db2.gz SOSJOMXLCMRSHK-UHFFFAOYSA-N 0 1 273.361 2.952 20 30 CFEDMN C=CC1CCN(C(=O)NCc2nc3cccc(C)c3[nH]2)CC1 ZINC000132287358 377823018 /nfs/dbraw/zinc/82/30/18/377823018.db2.gz RQNKIXWKBONFGU-UHFFFAOYSA-N 0 1 298.390 2.979 20 30 CFEDMN C=CCCN(C)CC(=O)Nc1ccccc1Br ZINC000132350651 377830204 /nfs/dbraw/zinc/83/02/04/377830204.db2.gz BJBHPOIVFKDQCS-UHFFFAOYSA-N 0 1 297.196 2.896 20 30 CFEDMN CCCCc1nc2ccc(NC(=O)CC#N)cc2[nH]1 ZINC000133822809 377961617 /nfs/dbraw/zinc/96/16/17/377961617.db2.gz FKIJMKBOVSKINH-UHFFFAOYSA-N 0 1 256.309 2.758 20 30 CFEDMN N#CCSCCCN1CCc2ccc(F)cc2C1 ZINC000133985494 377973943 /nfs/dbraw/zinc/97/39/43/377973943.db2.gz QEGUOMWDROXWKN-UHFFFAOYSA-N 0 1 264.369 2.831 20 30 CFEDMN CN(C)c1ccc(CNCc2ccc(C#N)o2)cc1 ZINC000135133036 378087655 /nfs/dbraw/zinc/08/76/55/378087655.db2.gz NIHGTEIFIVTISF-UHFFFAOYSA-N 0 1 255.321 2.507 20 30 CFEDMN N#Cc1ccc(CN[C@@]2(CO)CCc3ccccc32)s1 ZINC000135894275 378168695 /nfs/dbraw/zinc/16/86/95/378168695.db2.gz GZDXKDVSPBWFLG-MRXNPFEDSA-N 0 1 284.384 2.543 20 30 CFEDMN CCc1nc([C@H](C)NC(=O)N[C@@H]2CCC[C@H](C)[C@@H]2C)n[nH]1 ZINC000328936809 378442963 /nfs/dbraw/zinc/44/29/63/378442963.db2.gz QXQDADKPILFHOV-FIQHERPVSA-N 0 1 293.415 2.756 20 30 CFEDMN O=C(N[C@H]1CCCc2cn[nH]c21)C1(C2CC2)CCOCC1 ZINC000329603624 378468014 /nfs/dbraw/zinc/46/80/14/378468014.db2.gz GLFZTRLOJHZXFL-ZDUSSCGKSA-N 0 1 289.379 2.950 20 30 CFEDMN O=C(N[C@@H]1CCC(=O)NC12CCC2)[C@@H]1CCC[N@H+]1C1CC1 ZINC000328725884 378418091 /nfs/dbraw/zinc/41/80/91/378418091.db2.gz ZINUTHGEJKRVEJ-QWHCGFSZSA-N 0 1 291.395 2.611 20 30 CFEDMN O=C(N[C@@H]1CCC(=O)NC12CCC2)[C@@H]1CCCN1C1CC1 ZINC000328725884 378418101 /nfs/dbraw/zinc/41/81/01/378418101.db2.gz ZINUTHGEJKRVEJ-QWHCGFSZSA-N 0 1 291.395 2.611 20 30 CFEDMN CS[C@@H]1CCC[C@H](NC(=O)[C@@H]2CCc3[nH]nnc3C2)C1 ZINC000328774603 378423722 /nfs/dbraw/zinc/42/37/22/378423722.db2.gz KIBBYWGSESCLHY-OUAUKWLOSA-N 0 1 294.424 2.540 20 30 CFEDMN CS[C@@H]1CCC[C@H](NC(=O)[C@@H]2CCc3nn[nH]c3C2)C1 ZINC000328774603 378423727 /nfs/dbraw/zinc/42/37/27/378423727.db2.gz KIBBYWGSESCLHY-OUAUKWLOSA-N 0 1 294.424 2.540 20 30 CFEDMN O=C(N[C@@H]1CCCc2cn[nH]c21)c1ccc2c(c1)COC2 ZINC000330131498 378524400 /nfs/dbraw/zinc/52/44/00/378524400.db2.gz PRIRTFCHOQESAP-CQSZACIVSA-N 0 1 283.331 2.822 20 30 CFEDMN C[C@@H]1CCN(C(=O)N[C@@H]2CCc3nc[nH]c3C2)C[C@@H](C)C1 ZINC000329695015 378482274 /nfs/dbraw/zinc/48/22/74/378482274.db2.gz BDXVWXHTWWWAPG-FRRDWIJNSA-N 0 1 290.411 2.549 20 30 CFEDMN CC[C@@H]1CCC[C@H](NC(=O)N[C@@H]2CCc3nc[nH]c3C2)C1 ZINC000329710160 378486541 /nfs/dbraw/zinc/48/65/41/378486541.db2.gz LZRIOPOFAXXFFD-FRRDWIJNSA-N 0 1 290.411 2.739 20 30 CFEDMN C[C@@H]1CCC[C@H](N(C)C(=O)N[C@@H]2CCc3nc[nH]c3C2)C1 ZINC000329736582 378489319 /nfs/dbraw/zinc/48/93/19/378489319.db2.gz LMXFLZINSJWNLU-UPJWGTAASA-N 0 1 290.411 2.692 20 30 CFEDMN CC1CCC(N(C)C([O-])=[NH+][C@H]2CCc3c[nH]nc3C2)CC1 ZINC000329872312 378507906 /nfs/dbraw/zinc/50/79/06/378507906.db2.gz DBEBOPOEKKEQCS-QRMWWUJWSA-N 0 1 290.411 2.692 20 30 CFEDMN C#CCN(Cc1cn2ccccc2n1)C1CCCC1 ZINC000155812413 378632557 /nfs/dbraw/zinc/63/25/57/378632557.db2.gz GGKJXKMSWDIEOH-UHFFFAOYSA-N 0 1 253.349 2.712 20 30 CFEDMN C#CCN(CC(=O)N(C)Cc1cccs1)C1CCCC1 ZINC000155887637 378634229 /nfs/dbraw/zinc/63/42/29/378634229.db2.gz BWKUOKONBSVYNP-UHFFFAOYSA-N 0 1 290.432 2.584 20 30 CFEDMN C=C(C)C[C@H](C)C(=O)N1CCNC[C@H]1c1ccccc1 ZINC000571814897 383730178 /nfs/dbraw/zinc/73/01/78/383730178.db2.gz FOAAHCGWPFSOQP-HOCLYGCPSA-N 0 1 272.392 2.762 20 30 CFEDMN CO[C@@H]1CCC[C@H]1CNC(=O)c1c(C)n[nH]c1C(C)C ZINC000330643573 378593396 /nfs/dbraw/zinc/59/33/96/378593396.db2.gz DBPMJNAVQORALQ-NWDGAFQWSA-N 0 1 279.384 2.961 20 30 CFEDMN CC#CCN1CCCN(c2ccc(C(F)(F)F)cn2)CC1 ZINC000157470404 378655544 /nfs/dbraw/zinc/65/55/44/378655544.db2.gz AXVMINWSVGWLJV-UHFFFAOYSA-N 0 1 297.324 2.636 20 30 CFEDMN C=CCOc1cccc(CN2CCC(C(=O)OC)CC2)c1 ZINC000159195797 378692846 /nfs/dbraw/zinc/69/28/46/378692846.db2.gz OLLNGOBSRYTRAD-UHFFFAOYSA-N 0 1 289.375 2.636 20 30 CFEDMN N#CCCCCN1CCO[C@@]2(CCc3ccccc32)C1 ZINC000159443353 378710159 /nfs/dbraw/zinc/71/01/59/378710159.db2.gz CUZAXRVANFGVOL-KRWDZBQOSA-N 0 1 270.376 2.854 20 30 CFEDMN C[C@H]1CC[C@H](C)N1Cc1nnc(-c2cccc(C#N)c2)o1 ZINC000332125646 378728230 /nfs/dbraw/zinc/72/82/30/378728230.db2.gz MITROFHFZQKWKQ-RYUDHWBXSA-N 0 1 282.347 2.981 20 30 CFEDMN CN(C)[C@@H](CNc1nc(Cl)c(C#N)s1)c1ccco1 ZINC000278483482 194005148 /nfs/dbraw/zinc/00/51/48/194005148.db2.gz FZAPDFBOWOQKPV-QMMMGPOBSA-N 0 1 296.783 2.976 20 30 CFEDMN C[C@H](NC[C@@H](C#N)CCC#N)c1ccccc1-n1cccn1 ZINC000160842760 378804479 /nfs/dbraw/zinc/80/44/79/378804479.db2.gz DYFQMLARANCENQ-LSDHHAIUSA-N 0 1 293.374 2.966 20 30 CFEDMN CN(CCC1CCOCC1)Cc1cc(F)ccc1C#N ZINC000162022236 378889347 /nfs/dbraw/zinc/88/93/47/378889347.db2.gz OACUSZCXCPMWKO-UHFFFAOYSA-N 0 1 276.355 2.946 20 30 CFEDMN C[C@H]1CCCCN1Cc1cnc2ccc(C#N)cn12 ZINC000334322200 379091368 /nfs/dbraw/zinc/09/13/68/379091368.db2.gz XRKYBKOWGFVLFJ-LBPRGKRZSA-N 0 1 254.337 2.580 20 30 CFEDMN CC(C)(C)[C@H]1CCN(Cc2cc(C#N)cs2)C[C@@H]1O ZINC000334315474 379079217 /nfs/dbraw/zinc/07/92/17/379079217.db2.gz QWEWEZSLCBRVLM-KBPBESRZSA-N 0 1 278.421 2.849 20 30 CFEDMN C#CC[C@H](N[C@@H](C)c1ccnn1C)c1ccccc1 ZINC000278820726 194169054 /nfs/dbraw/zinc/16/90/54/194169054.db2.gz SKBVYPHSLWWVRG-ZFWWWQNUSA-N 0 1 253.349 2.835 20 30 CFEDMN C=C(C)CN(CC)CC(=O)NCc1cccc(Cl)c1 ZINC000048617501 412909854 /nfs/dbraw/zinc/90/98/54/412909854.db2.gz NRJAWPUWSXXNDE-UHFFFAOYSA-N 0 1 280.799 2.854 20 30 CFEDMN C[C@@H](NC1(c2cccc(C#N)c2)CC1)c1ccnn1C ZINC000278898614 194203456 /nfs/dbraw/zinc/20/34/56/194203456.db2.gz ZDMHIHRKHLPYMP-GFCCVEGCSA-N 0 1 266.348 2.632 20 30 CFEDMN CC(C)(C)n1cc(C#N)c(=NC(=O)[C@H]2CCC(C)(C)C2)[nH]1 ZINC000334455833 379329894 /nfs/dbraw/zinc/32/98/94/379329894.db2.gz GOOSWWUKHJOZQD-NSHDSACASA-N 0 1 288.395 2.696 20 30 CFEDMN CCn1nc(C)c(CNCc2ccc(OCC#N)cc2)c1C ZINC000171769275 379395804 /nfs/dbraw/zinc/39/58/04/379395804.db2.gz AGCXPRYRMZYFQA-UHFFFAOYSA-N 0 1 298.390 2.712 20 30 CFEDMN C#CCN1CCC(O)(c2ccccc2C(F)(F)F)CC1 ZINC000278952031 194226120 /nfs/dbraw/zinc/22/61/20/194226120.db2.gz YWIUSVYSZLQHQF-UHFFFAOYSA-N 0 1 283.293 2.622 20 30 CFEDMN N#CCCC1CCN(C(=O)c2cccc3[nH]cnc32)CC1 ZINC000335500918 379410122 /nfs/dbraw/zinc/41/01/22/379410122.db2.gz OERPCOQFWHSDDY-UHFFFAOYSA-N 0 1 282.347 2.719 20 30 CFEDMN Cn1cc(CN[C@@H]2CSc3ccccc32)cc1C#N ZINC000334551275 379511422 /nfs/dbraw/zinc/51/14/22/379511422.db2.gz XDLHEJCHTDJKGX-CQSZACIVSA-N 0 1 269.373 2.833 20 30 CFEDMN Cc1cccc(Cl)c1NS(=O)(=O)c1ccc(C#N)o1 ZINC000335728179 379793382 /nfs/dbraw/zinc/79/33/82/379793382.db2.gz JAZXDUATHLVJQV-UHFFFAOYSA-N 0 1 296.735 2.914 20 30 CFEDMN Cc1cc(C#N)cc(NC(=O)N[C@H](C)C2=CC[N@@H+](C)CC2)c1 ZINC000334730621 379839016 /nfs/dbraw/zinc/83/90/16/379839016.db2.gz KKCHPSXKCWIVII-CYBMUJFWSA-N 0 1 298.390 2.639 20 30 CFEDMN Cc1cc(C)cc(OCCNCc2ccc(C#N)o2)c1 ZINC000174301651 379860799 /nfs/dbraw/zinc/86/07/99/379860799.db2.gz MLHPGJGLYWETQI-UHFFFAOYSA-N 0 1 270.332 2.937 20 30 CFEDMN CC[C@H]1CN(Cc2cc(C#N)cs2)CCCO1 ZINC000335816155 379936650 /nfs/dbraw/zinc/93/66/50/379936650.db2.gz UXIQOUZQZKNPBU-LBPRGKRZSA-N 0 1 250.367 2.621 20 30 CFEDMN N#Cc1cccc(C[N@@H+]2CC[C@H](O)C23CCCC3)c1F ZINC000335885242 380050481 /nfs/dbraw/zinc/05/04/81/380050481.db2.gz JCDARXIZOBZZIU-AWEZNQCLSA-N 0 1 274.339 2.577 20 30 CFEDMN CO[C@@H]1CC[N@@H+](Cc2cccc(C#N)c2F)[C@@H](C)C1 ZINC000335918776 380106523 /nfs/dbraw/zinc/10/65/23/380106523.db2.gz VSDVNIYVKJWWIT-SMDDNHRTSA-N 0 1 262.328 2.697 20 30 CFEDMN CO[C@@H]1CCN(Cc2cccc(C#N)c2F)[C@@H](C)C1 ZINC000335918776 380106527 /nfs/dbraw/zinc/10/65/27/380106527.db2.gz VSDVNIYVKJWWIT-SMDDNHRTSA-N 0 1 262.328 2.697 20 30 CFEDMN C#CCSCCNCc1ncc(C(C)(C)C)s1 ZINC000279034970 194258631 /nfs/dbraw/zinc/25/86/31/194258631.db2.gz BYFIZLBYYJWUJD-UHFFFAOYSA-N 0 1 268.451 2.897 20 30 CFEDMN C/C=C(\C)C(=O)N1CCCN(Cc2ccc(C#N)cc2)CC1 ZINC000176265338 380205859 /nfs/dbraw/zinc/20/58/59/380205859.db2.gz ZHRHPHUJELGOBA-CRKCGEKBSA-N 0 1 297.402 2.559 20 30 CFEDMN CC(C)n1cc(C#N)c(=NC(=O)[C@@H]2CCC(C)(C)C2)[nH]1 ZINC000335980138 380190889 /nfs/dbraw/zinc/19/08/89/380190889.db2.gz MRSOMFNLFAFMOM-LLVKDONJSA-N 0 1 274.368 2.522 20 30 CFEDMN C[C@H]1C[N@H+]2CCCC[C@H]2CN1C(=O)Nc1ccc(C#N)cc1 ZINC000335992138 380206864 /nfs/dbraw/zinc/20/68/64/380206864.db2.gz SQIZRKFIINUVFV-BBRMVZONSA-N 0 1 298.390 2.649 20 30 CFEDMN C[C@H]1CN2CCCC[C@H]2CN1C(=O)Nc1ccc(C#N)cc1 ZINC000335992138 380206865 /nfs/dbraw/zinc/20/68/65/380206865.db2.gz SQIZRKFIINUVFV-BBRMVZONSA-N 0 1 298.390 2.649 20 30 CFEDMN N#Cc1ccc(F)cc1CN1CCC[C@@H]([C@@H]2CCOC2)C1 ZINC000336530491 380421892 /nfs/dbraw/zinc/42/18/92/380421892.db2.gz SNHNNYRCCNEYBZ-HUUCEWRRSA-N 0 1 288.366 2.946 20 30 CFEDMN Cc1c(C#N)cccc1NC(=O)[C@@H]1CCCc2[nH]ncc21 ZINC000178638852 380473938 /nfs/dbraw/zinc/47/39/38/380473938.db2.gz DFBUZHLPNVMMJW-GFCCVEGCSA-N 0 1 280.331 2.648 20 30 CFEDMN COCC(C)(C)NCc1ccc(Br)cc1C#N ZINC000336717651 380607607 /nfs/dbraw/zinc/60/76/07/380607607.db2.gz UQVOKHOXLKRPNW-UHFFFAOYSA-N 0 1 297.196 2.835 20 30 CFEDMN C=CC[N@H+](CCCCC(=O)[O-])Cc1ccc(OC)cc1 ZINC000181548638 380823597 /nfs/dbraw/zinc/82/35/97/380823597.db2.gz ONLUCWFDHKVMTF-UHFFFAOYSA-N 0 1 277.364 2.938 20 30 CFEDMN COc1cc(C#N)ccc1CN1CCC[C@](C)(OC)C1 ZINC000279199050 194329340 /nfs/dbraw/zinc/32/93/40/194329340.db2.gz ANCXZCZPOHVBHG-INIZCTEOSA-N 0 1 274.364 2.568 20 30 CFEDMN C=C(CC)CN1CCN(c2cccc(OCC)n2)CC1 ZINC000358494311 380881904 /nfs/dbraw/zinc/88/19/04/380881904.db2.gz BZWQZODJMKCPRC-UHFFFAOYSA-N 0 1 275.396 2.569 20 30 CFEDMN Cc1cc([C@@H]2CCCN(c3nccc(C)c3C#N)C2)[nH]n1 ZINC000368200441 380955106 /nfs/dbraw/zinc/95/51/06/380955106.db2.gz PFPDEAWUTVOMMU-CYBMUJFWSA-N 0 1 281.363 2.677 20 30 CFEDMN Cc1cc(NC[C@H](c2ccco2)N(C)C)cc(C#N)n1 ZINC000341351999 380959569 /nfs/dbraw/zinc/95/95/69/380959569.db2.gz VPKLHHCGGFPPQK-CQSZACIVSA-N 0 1 270.336 2.570 20 30 CFEDMN C[C@@H](NCc1cccn1C)c1ccc(C#N)cc1F ZINC000358568636 380933859 /nfs/dbraw/zinc/93/38/59/380933859.db2.gz LMQOUBREOKIXEJ-LLVKDONJSA-N 0 1 257.312 2.887 20 30 CFEDMN CCCCOC1CCN(Cc2ccc(C#N)o2)CC1 ZINC000354007123 381016803 /nfs/dbraw/zinc/01/68/03/381016803.db2.gz BOXKFMWKQPMWQU-UHFFFAOYSA-N 0 1 262.353 2.932 20 30 CFEDMN C=CCNC(=O)CNC(C)(c1ccccc1)c1ccccc1 ZINC000182193351 381016977 /nfs/dbraw/zinc/01/69/77/381016977.db2.gz YSCSQOYFDNDVMZ-UHFFFAOYSA-N 0 1 294.398 2.842 20 30 CFEDMN CC(C)C(=O)NCCN(C)CCC1(C#N)CCCCC1 ZINC000411452338 381029590 /nfs/dbraw/zinc/02/95/90/381029590.db2.gz ZQODWYRXQJNUNN-UHFFFAOYSA-N 0 1 279.428 2.555 20 30 CFEDMN CCC[C@@H](C#N)N(C)C(=O)[C@H](C)N(C)Cc1ccccc1 ZINC000410829608 380992832 /nfs/dbraw/zinc/99/28/32/380992832.db2.gz RHZBCOPQYPWHEA-HOCLYGCPSA-N 0 1 287.407 2.658 20 30 CFEDMN N#Cc1ccc(C[N@H+]2CC[C@@]3(C2)CCCOC3)cc1F ZINC000368504204 381049725 /nfs/dbraw/zinc/04/97/25/381049725.db2.gz PHVRMUXDXNBLCP-MRXNPFEDSA-N 0 1 274.339 2.700 20 30 CFEDMN COC[C@H]1CCN1Cc1cccc(OCCCC#N)c1 ZINC000354058832 381051735 /nfs/dbraw/zinc/05/17/35/381051735.db2.gz LMFBLTUTMNGTLW-OAHLLOKOSA-N 0 1 274.364 2.590 20 30 CFEDMN N#Cc1ccc(CN2CCC(c3ccncc3)CC2)o1 ZINC000289697141 381107977 /nfs/dbraw/zinc/10/79/77/381107977.db2.gz FXZAVROLOVRNRU-UHFFFAOYSA-N 0 1 267.332 2.926 20 30 CFEDMN Cc1cc(S(=O)(=O)Nc2ccc(C#N)cc2)c(C)o1 ZINC000182767295 381153825 /nfs/dbraw/zinc/15/38/25/381153825.db2.gz IBPXRVUNOADEJS-UHFFFAOYSA-N 0 1 276.317 2.569 20 30 CFEDMN N#Cc1cc(Cl)ccc1CN[C@H]1CCO[C@@H]1C1CC1 ZINC000368904639 381159638 /nfs/dbraw/zinc/15/96/38/381159638.db2.gz LHFLRFHIUIEABF-LSDHHAIUSA-N 0 1 276.767 2.869 20 30 CFEDMN CC[C@H](C)N1CCN(c2nc(Cl)c(C#N)s2)CC1 ZINC000295932344 381165797 /nfs/dbraw/zinc/16/57/97/381165797.db2.gz HGZPQPNLLVZVNC-VIFPVBQESA-N 0 1 284.816 2.589 20 30 CFEDMN CCN(CCC#N)C(=O)CN[C@H](C)c1cc2ccccc2o1 ZINC000182645134 381129047 /nfs/dbraw/zinc/12/90/47/381129047.db2.gz DRWMSIZHPWYGLB-CYBMUJFWSA-N 0 1 299.374 2.846 20 30 CFEDMN Cc1cc(NCCN2CCc3sccc3C2)cc(C#N)n1 ZINC000341846260 381198224 /nfs/dbraw/zinc/19/82/24/381198224.db2.gz WLUZFUWJYSGTSC-UHFFFAOYSA-N 0 1 298.415 2.793 20 30 CFEDMN C=CCCC1(C(=O)N2CCN(C3CCCC3)CC2)CC1 ZINC000354321664 381202946 /nfs/dbraw/zinc/20/29/46/381202946.db2.gz YVHJTDQRJAXTOP-UHFFFAOYSA-N 0 1 276.424 2.820 20 30 CFEDMN C=CCCCC(=O)N1CCC(c2cc(C)[nH]n2)CC1 ZINC000354432423 381263584 /nfs/dbraw/zinc/26/35/84/381263584.db2.gz YCQYXSCEZMGHPJ-UHFFFAOYSA-N 0 1 261.369 2.780 20 30 CFEDMN N#CC(C(=O)c1ncccc1C(F)(F)F)c1ccccn1 ZINC000183482365 381277742 /nfs/dbraw/zinc/27/77/42/381277742.db2.gz UKOQBLVPIKOUDF-VIFPVBQESA-N 0 1 291.232 2.985 20 30 CFEDMN N#C[C@H](C(=O)c1ncccc1C(F)(F)F)c1ccccn1 ZINC000183482365 381277746 /nfs/dbraw/zinc/27/77/46/381277746.db2.gz UKOQBLVPIKOUDF-VIFPVBQESA-N 0 1 291.232 2.985 20 30 CFEDMN C=CCCC[C@@H](C)NC(=O)NCCCc1cn[nH]c1C ZINC000183501423 381279391 /nfs/dbraw/zinc/27/93/91/381279391.db2.gz RFPJICPAJUZIKY-GFCCVEGCSA-N 0 1 278.400 2.695 20 30 CFEDMN C=CCCC[C@H](C)NC(=O)NCCCc1cn[nH]c1C ZINC000183501403 381280210 /nfs/dbraw/zinc/28/02/10/381280210.db2.gz RFPJICPAJUZIKY-LBPRGKRZSA-N 0 1 278.400 2.695 20 30 CFEDMN N#CC(C(=O)c1ccc(Cl)s1)c1ccncn1 ZINC000354457092 381283312 /nfs/dbraw/zinc/28/33/12/381283312.db2.gz CJJXSWXUSPKKBU-ZETCQYMHSA-N 0 1 263.709 2.682 20 30 CFEDMN C#C[C@H](NCc1cnc(C(C)(C)C)nc1)C(C)(C)C ZINC000290162946 381324892 /nfs/dbraw/zinc/32/48/92/381324892.db2.gz MBRDBIWTVSVOID-ZDUSSCGKSA-N 0 1 259.397 2.912 20 30 CFEDMN CC[C@@H](CC#N)NC(=O)[C@H]1CCCCN1Cc1ccccc1 ZINC000183859617 381330600 /nfs/dbraw/zinc/33/06/00/381330600.db2.gz VMMAIOPTUZCCOT-DLBZAZTESA-N 0 1 299.418 2.850 20 30 CFEDMN CC(C)c1nc(CN[C@@H](C)c2ccc(C#N)c(F)c2)n[nH]1 ZINC000296562950 381450138 /nfs/dbraw/zinc/45/01/38/381450138.db2.gz SJIRUFFRQYZLKP-JTQLQIEISA-N 0 1 287.342 2.790 20 30 CFEDMN COC[C@@H](NCCOc1ccccc1C#N)c1ccco1 ZINC000184575639 381436736 /nfs/dbraw/zinc/43/67/36/381436736.db2.gz RFKXFNOTSMRLIE-CQSZACIVSA-N 0 1 286.331 2.507 20 30 CFEDMN CC(C)[C@](C)(C#N)NC(=O)[C@@H](C)N1CCCC2(CCC2)C1 ZINC000348173650 381467606 /nfs/dbraw/zinc/46/76/06/381467606.db2.gz ALZZYCSIESNGPT-ZBFHGGJFSA-N 0 1 291.439 2.695 20 30 CFEDMN C[C@H]1C[C@@H](Nc2c(F)cc(C#N)cc2F)CN1C1CC1 ZINC000290533467 381469633 /nfs/dbraw/zinc/46/96/33/381469633.db2.gz DLPYWMMYGRULHE-GXSJLCMTSA-N 0 1 277.318 2.874 20 30 CFEDMN C=CCCN(C)[C@H](C)C(=O)Nc1cc(F)ccc1C ZINC000342730428 381505856 /nfs/dbraw/zinc/50/58/56/381505856.db2.gz GUDSPVHKIYNTPB-GFCCVEGCSA-N 0 1 264.344 2.969 20 30 CFEDMN Fc1ccc(C#CCN2CCCO[C@@H]3CCC[C@@H]32)cc1 ZINC000370834808 381508939 /nfs/dbraw/zinc/50/89/39/381508939.db2.gz ZMSWCLIVIRLCCK-DLBZAZTESA-N 0 1 273.351 2.821 20 30 CFEDMN C=C[C@@](C)(CC)C(=O)N1CC(N(C)Cc2ccccc2)C1 ZINC000342751154 381517571 /nfs/dbraw/zinc/51/75/71/381517571.db2.gz CODPCFRJZJXKAL-SFHVURJKSA-N 0 1 286.419 2.932 20 30 CFEDMN C=C(C)CN(C)[C@H]1CCCN(CC(C)(C)C)C1=O ZINC000359594821 381493754 /nfs/dbraw/zinc/49/37/54/381493754.db2.gz DIEXIAYNHLMNAH-ZDUSSCGKSA-N 0 1 252.402 2.531 20 30 CFEDMN CC#CCCCC(=O)NC[C@@H](c1cccc(F)c1)N(C)C ZINC000184930250 381497164 /nfs/dbraw/zinc/49/71/64/381497164.db2.gz XZVQWTNWFHTXMZ-INIZCTEOSA-N 0 1 290.382 2.738 20 30 CFEDMN CC[C@H](C)N1CCN(C(=O)/C=C/c2ccc(C#N)cc2)CC1 ZINC000296764048 381533428 /nfs/dbraw/zinc/53/34/28/381533428.db2.gz BXDOVIFWMKHOHJ-HVHJFMEUSA-N 0 1 297.402 2.514 20 30 CFEDMN C=CCC[C@@H](C)NCc1nccc(C(F)(F)F)n1 ZINC000414240532 381573109 /nfs/dbraw/zinc/57/31/09/381573109.db2.gz MAUATBZJXFLROF-SECBINFHSA-N 0 1 259.275 2.940 20 30 CFEDMN C[C@@H](c1ccsc1)N1CCN(c2ccnc(C#N)c2)CC1 ZINC000342829306 381573609 /nfs/dbraw/zinc/57/36/09/381573609.db2.gz DBZOCWOLYJBZMX-ZDUSSCGKSA-N 0 1 298.415 2.898 20 30 CFEDMN C#CCN(Cc1ccccc1N1CCO[C@@H](C)C1)C1CC1 ZINC000297833666 381574041 /nfs/dbraw/zinc/57/40/41/381574041.db2.gz ZYNMKOXDVCXXRM-HNNXBMFYSA-N 0 1 284.403 2.509 20 30 CFEDMN CC(C)C[C@H](CO)N(C)Cc1ccc(F)cc1C#N ZINC000185340741 381603690 /nfs/dbraw/zinc/60/36/90/381603690.db2.gz UCWOTUOLMKGKDK-OAHLLOKOSA-N 0 1 264.344 2.536 20 30 CFEDMN C=CC[C@@H](Cc1ccccc1)NCc1csnn1 ZINC000414528059 381593810 /nfs/dbraw/zinc/59/38/10/381593810.db2.gz AAZRXZAMGLLTQD-ZDUSSCGKSA-N 0 1 259.378 2.815 20 30 CFEDMN CN(Cc1ccc(C#N)cc1OC(F)F)C[C@@H]1CCCO1 ZINC000355068614 381594356 /nfs/dbraw/zinc/59/43/56/381594356.db2.gz YJMKAFDOEHNKPI-ZDUSSCGKSA-N 0 1 296.317 2.770 20 30 CFEDMN CC(C)(CCC#N)CN1CC(CO)(c2ccccc2)C1 ZINC000414557340 381595095 /nfs/dbraw/zinc/59/50/95/381595095.db2.gz ZQFALQMIQINNFR-UHFFFAOYSA-N 0 1 272.392 2.562 20 30 CFEDMN Cc1cnn([C@H]2CCN(Cc3ccc(C#N)s3)C2)c1 ZINC000290975834 381617760 /nfs/dbraw/zinc/61/77/60/381617760.db2.gz SXLSKOLMDZZABF-LBPRGKRZSA-N 0 1 272.377 2.572 20 30 CFEDMN N#Cc1ccc(CN2CC[C@@H](n3cc4ccccc4n3)C2)o1 ZINC000371662600 381673977 /nfs/dbraw/zinc/67/39/77/381673977.db2.gz ZHYZIRHKRAXAKK-CQSZACIVSA-N 0 1 292.342 2.948 20 30 CFEDMN C=CCCC(=O)NC1(C#N)CCN(Cc2ccccc2)CC1 ZINC000371541939 381654224 /nfs/dbraw/zinc/65/42/24/381654224.db2.gz GLXPJXHMQHCHHT-UHFFFAOYSA-N 0 1 297.402 2.627 20 30 CFEDMN COc1cc(CN2CC(C3CCC3)C2)ccc1C#N ZINC000348713362 381682483 /nfs/dbraw/zinc/68/24/83/381682483.db2.gz WMZXYRSLSMYFMD-UHFFFAOYSA-N 0 1 256.349 2.799 20 30 CFEDMN C=CCCOCCNCc1cc(F)ccc1OC ZINC000291294446 381738168 /nfs/dbraw/zinc/73/81/68/381738168.db2.gz WAHJHRAXYZJWGI-UHFFFAOYSA-N 0 1 253.317 2.517 20 30 CFEDMN C[C@H]1[C@H](Nc2c(F)cc(C#N)cc2F)CCCN1C ZINC000343484603 381744789 /nfs/dbraw/zinc/74/47/89/381744789.db2.gz WFYIFILJYVSPIZ-TVQRCGJNSA-N 0 1 265.307 2.731 20 30 CFEDMN Cn1ccnc1-c1cccc(CNCc2ccc(C#N)o2)c1 ZINC000360055713 381754617 /nfs/dbraw/zinc/75/46/17/381754617.db2.gz HFNUCDWVDMNYQR-UHFFFAOYSA-N 0 1 292.342 2.842 20 30 CFEDMN C#CC[C@H](C)NC(=O)[C@@H]1CCCCN1Cc1ccccc1 ZINC000360463967 381781584 /nfs/dbraw/zinc/78/15/84/381781584.db2.gz ALWCYKXVSPWKOJ-RDJZCZTQSA-N 0 1 284.403 2.569 20 30 CFEDMN Cc1ccnc(N[C@@H](c2nnc[nH]2)c2ccccc2)c1C#N ZINC000372261923 381781840 /nfs/dbraw/zinc/78/18/40/381781840.db2.gz PBBMBCDNIIDBTA-CQSZACIVSA-N 0 1 290.330 2.581 20 30 CFEDMN CCC[C@@H]1CN(C(=O)[C@@H](C)C#N)CCN1Cc1ccccc1 ZINC000343538814 381782357 /nfs/dbraw/zinc/78/23/57/381782357.db2.gz WBISBLKERQDTMC-DOTOQJQBSA-N 0 1 299.418 2.659 20 30 CFEDMN Cc1cc(C2CCN(c3ccc(C#N)c(C)n3)CC2)[nH]n1 ZINC000292017141 381787583 /nfs/dbraw/zinc/78/75/83/381787583.db2.gz SKQJKNWCILDJDQ-UHFFFAOYSA-N 0 1 281.363 2.677 20 30 CFEDMN CCCc1nsc(NCC2CCC(C#N)CC2)n1 ZINC000360085932 381763262 /nfs/dbraw/zinc/76/32/62/381763262.db2.gz BHKVXFYPQSYDFA-UHFFFAOYSA-N 0 1 264.398 2.654 20 30 CFEDMN Cc1cccc2nc(CN[C@@H]3CCC[C@H](C#N)C3)cn21 ZINC000185885160 381767408 /nfs/dbraw/zinc/76/74/08/381767408.db2.gz KCFNBAAAHNSQTJ-UONOGXRCSA-N 0 1 268.364 2.815 20 30 CFEDMN Cc1nsc(N2CCN(CC3(C)CCC3)CC2)c1C#N ZINC000291654367 381768196 /nfs/dbraw/zinc/76/81/96/381768196.db2.gz UWCVEIOEELGFKZ-UHFFFAOYSA-N 0 1 290.436 2.635 20 30 CFEDMN COC(=O)c1cccc(CNCc2ccc(C#N)s2)c1 ZINC000348925721 381769219 /nfs/dbraw/zinc/76/92/19/381769219.db2.gz XRGISYLHPGLDEM-UHFFFAOYSA-N 0 1 286.356 2.696 20 30 CFEDMN C[C@@H](c1ccc(C#N)cc1)N1CCC(F)(F)[C@H](CO)C1 ZINC000291818033 381773319 /nfs/dbraw/zinc/77/33/19/381773319.db2.gz NUJRXXCLHFUJSK-FZMZJTMJSA-N 0 1 280.318 2.569 20 30 CFEDMN CN(C)Cc1cnc(/C=C\c2ccc(C#N)cn2)s1 ZINC000349115033 381825764 /nfs/dbraw/zinc/82/57/64/381825764.db2.gz WIXSWVOFCIJJLG-WAYWQWQTSA-N 0 1 270.361 2.642 20 30 CFEDMN CN(C)Cc1cnc(/C=C/c2ccncc2C#N)s1 ZINC000349115926 381826596 /nfs/dbraw/zinc/82/65/96/381826596.db2.gz YEJMZDJCWASLDJ-ONEGZZNKSA-N 0 1 270.361 2.642 20 30 CFEDMN C=CCNC(=O)[C@@H](C)N(CC)Cc1ccc(Cl)cc1 ZINC000343564312 381801833 /nfs/dbraw/zinc/80/18/33/381801833.db2.gz INOKOZSSWLFSKN-GFCCVEGCSA-N 0 1 280.799 2.853 20 30 CFEDMN C=CCCC1(C(=O)N2C[C@H](C)N(CC)C[C@@H]2C)CC1 ZINC000361827060 381865516 /nfs/dbraw/zinc/86/55/16/381865516.db2.gz BLJABCCAFWRVFE-KBPBESRZSA-N 0 1 264.413 2.674 20 30 CFEDMN C=CCOCCN(C)[C@H](C)c1ccc([S@](C)=O)cc1 ZINC000292923917 381904003 /nfs/dbraw/zinc/90/40/03/381904003.db2.gz YGMOZCNVVQGPMH-YJYMSZOUSA-N 0 1 281.421 2.619 20 30 CFEDMN N#CCc1ccc(CN2CCCN(CC(F)F)CC2)cc1 ZINC000343719603 381905913 /nfs/dbraw/zinc/90/59/13/381905913.db2.gz KWUTZUKVSBHMNV-UHFFFAOYSA-N 0 1 293.361 2.525 20 30 CFEDMN C[C@@H](c1cnn(C)c1)N(C)Cc1ccc(CC#N)cc1 ZINC000343816004 381960789 /nfs/dbraw/zinc/96/07/89/381960789.db2.gz MAGBXWRZWHMGLS-ZDUSSCGKSA-N 0 1 268.364 2.679 20 30 CFEDMN Cc1csc([C@@H](C#N)C(=O)c2cnccc2C)n1 ZINC000357013473 381962468 /nfs/dbraw/zinc/96/24/68/381962468.db2.gz MESGXAZPWJYGFB-JTQLQIEISA-N 0 1 257.318 2.645 20 30 CFEDMN Cc1csc(C(C#N)C(=O)c2cnccc2C)n1 ZINC000357013473 381962474 /nfs/dbraw/zinc/96/24/74/381962474.db2.gz MESGXAZPWJYGFB-JTQLQIEISA-N 0 1 257.318 2.645 20 30 CFEDMN CC(C)[C@]1(CO)CCCN(Cc2ccccc2C#N)C1 ZINC000293050224 381967381 /nfs/dbraw/zinc/96/73/81/381967381.db2.gz MTQZQWAYRQKKCU-QGZVFWFLSA-N 0 1 272.392 2.789 20 30 CFEDMN CC(C)[C@H]1CN(Cc2cc(C#N)ccc2F)CCCO1 ZINC000293161468 382013292 /nfs/dbraw/zinc/01/32/92/382013292.db2.gz OUNNMTNROJAHHF-MRXNPFEDSA-N 0 1 276.355 2.944 20 30 CFEDMN Cn1ccnc1[C@@H]1CCCN1CCCC(C)(C)C#N ZINC000375027906 382064816 /nfs/dbraw/zinc/06/48/16/382064816.db2.gz BERDXCFTIGALRA-ZDUSSCGKSA-N 0 1 260.385 2.887 20 30 CFEDMN C=C(C)CCN(CC)CC(=O)Nc1cccc(OC)c1 ZINC000351862234 382067920 /nfs/dbraw/zinc/06/79/20/382067920.db2.gz TXSYTGSRJIWGHG-UHFFFAOYSA-N 0 1 276.380 2.922 20 30 CFEDMN C=C(C)CN(C)CC(=O)N(C(C)C)C1CCCC1 ZINC000351139769 382030795 /nfs/dbraw/zinc/03/07/95/382030795.db2.gz GGPCIMADVCSJKE-UHFFFAOYSA-N 0 1 252.402 2.674 20 30 CFEDMN C=CCC(F)(F)C(=O)N[C@H]1CCN(C)[C@@H]1c1ccccc1 ZINC000293407490 382112631 /nfs/dbraw/zinc/11/26/31/382112631.db2.gz KCWMCIPIZATJOG-UONOGXRCSA-N 0 1 294.345 2.759 20 30 CFEDMN N#Cc1c(CN2CC[C@]3(C2)CCCOC3)cn2ccccc12 ZINC000375273142 382076229 /nfs/dbraw/zinc/07/62/29/382076229.db2.gz XPPJRJJSVQYJHM-SFHVURJKSA-N 0 1 295.386 2.813 20 30 CFEDMN N#Cc1c(C[N@H+]2CCC[C@H]3COCC[C@H]32)cn2ccccc12 ZINC000362455769 382079650 /nfs/dbraw/zinc/07/96/50/382079650.db2.gz TXHATMUMPOLLMZ-WMLDXEAASA-N 0 1 295.386 2.812 20 30 CFEDMN C=CCCCCCN1CCOC[C@@H]1[C@@H]1CCCO1 ZINC000375740165 382100225 /nfs/dbraw/zinc/10/02/25/382100225.db2.gz DLTISQYENZLNJD-CABCVRRESA-N 0 1 253.386 2.613 20 30 CFEDMN Cc1cncc(CN(C)CCOCc2ccc(C#N)cc2)c1 ZINC000344111231 382135146 /nfs/dbraw/zinc/13/51/46/382135146.db2.gz KCWCFXWOEKJADU-UHFFFAOYSA-N 0 1 295.386 2.910 20 30 CFEDMN CC1(C2CC2)CCN([C@H](C(N)=O)c2ccc(C#N)cc2)CC1 ZINC000352187067 382213003 /nfs/dbraw/zinc/21/30/03/382213003.db2.gz BQSDZUHPVDBWAY-INIZCTEOSA-N 0 1 297.402 2.597 20 30 CFEDMN CCCC(=O)N[C@@H]1CCCN([C@@H](C)c2cccc(C#N)c2)C1 ZINC000187666200 382239279 /nfs/dbraw/zinc/23/92/79/382239279.db2.gz LAADRYCNVOIBBX-WMLDXEAASA-N 0 1 299.418 3.000 20 30 CFEDMN CC[C@H](NCc1snnc1C)c1ccc(C#N)cc1 ZINC000293758345 382265820 /nfs/dbraw/zinc/26/58/20/382265820.db2.gz RVCKKXCYIFFHDJ-ZDUSSCGKSA-N 0 1 272.377 2.959 20 30 CFEDMN N#CCCCCN[C@H](c1ncc[nH]1)c1ccc(F)cc1 ZINC000187950332 382307557 /nfs/dbraw/zinc/30/75/57/382307557.db2.gz DFZKMLLXQDNDCJ-AWEZNQCLSA-N 0 1 272.327 2.922 20 30 CFEDMN CC(C)(C#N)CCN1CCCC[C@H]1[C@H](O)C(F)(F)F ZINC000345761376 382311985 /nfs/dbraw/zinc/31/19/85/382311985.db2.gz VVHKJPONJUQIJW-QWRGUYRKSA-N 0 1 278.318 2.704 20 30 CFEDMN CC(C)(C)Oc1ccc(C(=O)C(C#N)c2ccncn2)nc1 ZINC000346000646 382326697 /nfs/dbraw/zinc/32/66/97/382326697.db2.gz YWYPTBUIGGLTSD-LBPRGKRZSA-N 0 1 296.330 2.539 20 30 CFEDMN N#Cc1ccc(C(=O)Nc2cccc(F)c2)cc1O ZINC000188208702 382366722 /nfs/dbraw/zinc/36/67/22/382366722.db2.gz DUNPJIZHFVBYDI-UHFFFAOYSA-N 0 1 256.236 2.655 20 30 CFEDMN C=C[C@@H](CO)NCc1ccc(-c2ccccc2F)o1 ZINC000352465659 382347362 /nfs/dbraw/zinc/34/73/62/382347362.db2.gz MSYXRJCEKRXRGW-NSHDSACASA-N 0 1 261.296 2.722 20 30 CFEDMN C[C@H](C(=O)Nc1ccccc1C#N)N1CC[C@@H](C2CC2)C1 ZINC000378317986 382434086 /nfs/dbraw/zinc/43/40/86/382434086.db2.gz MERQSRPLKNPSJA-IUODEOHRSA-N 0 1 283.375 2.617 20 30 CFEDMN N#Cc1ccc2ncc(CN3CC4(CCC4)[C@H]3C3CC3)n2c1 ZINC000378144222 382407781 /nfs/dbraw/zinc/40/77/81/382407781.db2.gz YWMKBKNYWLSLLO-QGZVFWFLSA-N 0 1 292.386 2.970 20 30 CFEDMN CCc1ccc(CNCc2cccc(C#N)c2)cn1 ZINC000352748454 382464205 /nfs/dbraw/zinc/46/42/05/382464205.db2.gz IRWFEASQOCJAQN-UHFFFAOYSA-N 0 1 251.333 2.805 20 30 CFEDMN N#C[C@@H](c1ccccc1)[C@@H]1CCCN1C[C@H]1C[C@@H](O)C1 ZINC000420911368 382494782 /nfs/dbraw/zinc/49/47/82/382494782.db2.gz GIKDFEVGVRRZMP-ORQFMDKSSA-N 0 1 270.376 2.529 20 30 CFEDMN C=CCCCCN[C@@H](C)c1ncc(C(=O)OC)s1 ZINC000314609365 382526172 /nfs/dbraw/zinc/52/61/72/382526172.db2.gz FHBHZIFIUYEBGV-JTQLQIEISA-N 0 1 268.382 2.937 20 30 CFEDMN CC(=O)Nc1ccn([C@@H]2CCN(Cc3ccc(C)o3)C2)n1 ZINC000328645344 382560261 /nfs/dbraw/zinc/56/02/61/382560261.db2.gz ZOXQCGMVFHXVTA-CYBMUJFWSA-N 0 1 288.351 2.839 20 30 CFEDMN C[C@@H]1C[N@H+](C)C[C@H]1N[C@H](CCC#N)c1ccccc1 ZINC000358331417 382572582 /nfs/dbraw/zinc/57/25/82/382572582.db2.gz SQBUZWLCVPMWRD-FVQBIDKESA-N 0 1 257.381 2.571 20 30 CFEDMN CCn1cc(CN[C@H]2CCc3ccc(C#N)cc32)cn1 ZINC000353276596 382532639 /nfs/dbraw/zinc/53/26/39/382532639.db2.gz MGTDQNJHMFYOFW-INIZCTEOSA-N 0 1 266.348 2.552 20 30 CFEDMN CC1(C)C[C@H](O)CCN(Cc2ccc(C#N)cc2F)C1 ZINC000295208452 382584910 /nfs/dbraw/zinc/58/49/10/382584910.db2.gz LCXPMDVEUBKHMK-CQSZACIVSA-N 0 1 276.355 2.680 20 30 CFEDMN Cn1cc(CN[C@H]2CCCc3occc32)cc1C#N ZINC000189580126 382626562 /nfs/dbraw/zinc/62/65/62/382626562.db2.gz OKUMYOZPWORJLK-AWEZNQCLSA-N 0 1 255.321 2.657 20 30 CFEDMN CC1(C)CN(CCOc2ccc(C#N)cc2)CC(C)(C)O1 ZINC000189648444 382632195 /nfs/dbraw/zinc/63/21/95/382632195.db2.gz PTDGNMSQYGXOLE-UHFFFAOYSA-N 0 1 288.391 2.826 20 30 CFEDMN N#Cc1ccc(C(=O)Nc2nc3c(s2)CCCC3)cc1O ZINC000189931725 382645891 /nfs/dbraw/zinc/64/58/91/382645891.db2.gz UAEUHHAQUYYATF-UHFFFAOYSA-N 0 1 299.355 2.851 20 30 CFEDMN C[C@H]1CSCCN(Cc2ccc(C#N)cc2F)C1 ZINC000190480375 382670386 /nfs/dbraw/zinc/67/03/86/382670386.db2.gz SCUSPBMXOLFAAQ-LLVKDONJSA-N 0 1 264.369 2.882 20 30 CFEDMN CCCCCNC(=O)[C@H](C)N1CCC(CCC#N)CC1 ZINC000399297114 382638075 /nfs/dbraw/zinc/63/80/75/382638075.db2.gz KTKSLDJXHFDKCY-AWEZNQCLSA-N 0 1 279.428 2.697 20 30 CFEDMN C=CC[N@H+](CCOC)Cc1ccc(OC)c(OCC)c1 ZINC000191758726 382702439 /nfs/dbraw/zinc/70/24/39/382702439.db2.gz QNQMPMBUFUUCHW-UHFFFAOYSA-N 0 1 279.380 2.728 20 30 CFEDMN C=CCN(CCOC)Cc1ccc(OC)c(OCC)c1 ZINC000191758726 382702440 /nfs/dbraw/zinc/70/24/40/382702440.db2.gz QNQMPMBUFUUCHW-UHFFFAOYSA-N 0 1 279.380 2.728 20 30 CFEDMN C=CC[N@H+](CCOC)Cc1c[nH]nc1-c1ccc(F)cc1 ZINC000191758286 382702483 /nfs/dbraw/zinc/70/24/83/382702483.db2.gz YOYNALYHLPLGBD-UHFFFAOYSA-N 0 1 289.354 2.850 20 30 CFEDMN C=CCN(CCOC)Cc1c[nH]nc1-c1ccc(F)cc1 ZINC000191758286 382702484 /nfs/dbraw/zinc/70/24/84/382702484.db2.gz YOYNALYHLPLGBD-UHFFFAOYSA-N 0 1 289.354 2.850 20 30 CFEDMN CC(=Cc1cc(C)c(O)c(C)c1)c1nc(C)c(C#N)c(=O)[nH]1 ZINC000193610051 382721533 /nfs/dbraw/zinc/72/15/33/382721533.db2.gz UYMABKYNGXROBA-XFFZJAGNSA-N 0 1 295.342 2.833 20 30 CFEDMN C=CCN1CC[C@@H](N(Cc2ccc(F)cc2)C(C)C)C1=O ZINC000337132967 382765522 /nfs/dbraw/zinc/76/55/22/382765522.db2.gz KPAYBKLHQCILET-MRXNPFEDSA-N 0 1 290.382 2.823 20 30 CFEDMN C=CCN1CC[C@@H]([N@@H+](C)CCCCc2ccccc2)C1=O ZINC000337135815 382766032 /nfs/dbraw/zinc/76/60/32/382766032.db2.gz MRIQUFNWFNZJJV-QGZVFWFLSA-N 0 1 286.419 2.728 20 30 CFEDMN C=CCN1CC[C@H](NC2(c3ccc(Cl)cc3)CC2)C1=O ZINC000337177550 382772454 /nfs/dbraw/zinc/77/24/54/382772454.db2.gz JTBNUECRFSQEQN-AWEZNQCLSA-N 0 1 290.794 2.706 20 30 CFEDMN C[C@@H](NC[C@@](C)(O)C(F)(F)F)c1ccc(C#N)cc1F ZINC000337206443 382776590 /nfs/dbraw/zinc/77/65/90/382776590.db2.gz MNPCIOMVYDQONJ-PRHODGIISA-N 0 1 290.260 2.661 20 30 CFEDMN C[C@H](C(=O)Nc1cccc(C#N)c1)N1CCC[C@@H](C)C1 ZINC000215965229 382781431 /nfs/dbraw/zinc/78/14/31/382781431.db2.gz UZFVICQWFIDXFY-CHWSQXEVSA-N 0 1 271.364 2.617 20 30 CFEDMN C=CCN1CC[C@H](N(C)Cc2ccc(Cl)cc2C)C1=O ZINC000337238015 382783046 /nfs/dbraw/zinc/78/30/46/382783046.db2.gz YYQBEFIDPSHUEK-HNNXBMFYSA-N 0 1 292.810 2.867 20 30 CFEDMN C=CCN1CC[C@H](N(C)C/C(C)=C\c2ccccc2)C1=O ZINC000337237459 382783096 /nfs/dbraw/zinc/78/30/96/382783096.db2.gz MBGGEOUCDXWXNP-REZBVGGZSA-N 0 1 284.403 2.809 20 30 CFEDMN N#Cc1ccccc1CN[C@H]1CCC[C@H]1OC(F)F ZINC000337276246 382791940 /nfs/dbraw/zinc/79/19/40/382791940.db2.gz FBQWEJKDSILNPL-QWHCGFSZSA-N 0 1 266.291 2.808 20 30 CFEDMN C=CC[C@H](CC)NC(=O)c1ccc(-c2nnc[nH]2)cc1 ZINC000337103387 382761530 /nfs/dbraw/zinc/76/15/30/382761530.db2.gz XYDKUHVANGPICY-ZDUSSCGKSA-N 0 1 270.336 2.556 20 30 CFEDMN COc1cc(CNCc2ccc3c(n2)CCC3)ccc1C#N ZINC000576682173 382832128 /nfs/dbraw/zinc/83/21/28/382832128.db2.gz CDJNZAWZRMWCDT-UHFFFAOYSA-N 0 1 293.370 2.740 20 30 CFEDMN C=C[C@H](CO)NCc1cc(Cl)c(OCCC)c(OC)c1 ZINC000289676138 197442916 /nfs/dbraw/zinc/44/29/16/197442916.db2.gz CCFZGCLFJWXVTO-GFCCVEGCSA-N 0 1 299.798 2.774 20 30 CFEDMN N#Cc1ccc(CN(CCC2CCCCC2)CC(N)=O)cc1 ZINC000337823331 382868977 /nfs/dbraw/zinc/86/89/77/382868977.db2.gz VYBBPGWKSIGLBP-UHFFFAOYSA-N 0 1 299.418 2.816 20 30 CFEDMN C=CCCOCCNCc1cc(OC)c(OC)cc1F ZINC000578075298 382889496 /nfs/dbraw/zinc/88/94/96/382889496.db2.gz VTWWMCHSNQWSOQ-UHFFFAOYSA-N 0 1 283.343 2.525 20 30 CFEDMN COC[C@H]1CCN(CC#Cc2ccccc2Cl)C1 ZINC000441166859 382898387 /nfs/dbraw/zinc/89/83/87/382898387.db2.gz KRIMXZSJEXJTFO-ZDUSSCGKSA-N 0 1 263.768 2.660 20 30 CFEDMN CCN(C(=O)c1ccc(C#N)c(O)c1)c1ccc(OC)cc1 ZINC000442641308 382940417 /nfs/dbraw/zinc/94/04/17/382940417.db2.gz AIEDZEKAJXQCPB-UHFFFAOYSA-N 0 1 296.326 2.939 20 30 CFEDMN C=C(C)CN[C@H](CO)c1ccccc1OC(F)(F)F ZINC000280237704 194760301 /nfs/dbraw/zinc/76/03/01/194760301.db2.gz AUHIMSHQSRSTLH-LLVKDONJSA-N 0 1 275.270 2.784 20 30 CFEDMN C[C@H](NC(=O)OC(C)(C)C)[C@H]1CCN(CC2(C#N)CC2)C1 ZINC000494955141 382945538 /nfs/dbraw/zinc/94/55/38/382945538.db2.gz RMIAYKWPIWUMQR-STQMWFEESA-N 0 1 293.411 2.525 20 30 CFEDMN Cc1c(C#N)cccc1C(=O)N1CCC(c2cnc[nH]2)CC1 ZINC000338230396 382958953 /nfs/dbraw/zinc/95/89/53/382958953.db2.gz ZRQMCLNPQNOETG-UHFFFAOYSA-N 0 1 294.358 2.610 20 30 CFEDMN N#C[C@H]1CC[C@H](NCc2ccn(C3CCCC3)n2)C1 ZINC000442846283 382961060 /nfs/dbraw/zinc/96/10/60/382961060.db2.gz JJFKZVILLYZTHP-STQMWFEESA-N 0 1 258.369 2.780 20 30 CFEDMN CC(C)(C)OC(=O)C(C)(C)CCNC[C@@H](C#N)CCC#N ZINC000578858513 382961276 /nfs/dbraw/zinc/96/12/76/382961276.db2.gz MVUPEFWXBNIVCS-CYBMUJFWSA-N 0 1 293.411 2.778 20 30 CFEDMN C=C(C)CN1CC[C@H](OC)C[C@@H]1CNC(=O)OC(C)(C)C ZINC000495103897 382962073 /nfs/dbraw/zinc/96/20/73/382962073.db2.gz GXNWRBXARZJUES-KGLIPLIRSA-N 0 1 298.427 2.567 20 30 CFEDMN C[C@H]1C[C@H](CNC(=O)OC(C)(C)C)CN1CC1(C#N)CC1 ZINC000494714286 382922326 /nfs/dbraw/zinc/92/23/26/382922326.db2.gz ZCICHRDCNQMYRW-QWHCGFSZSA-N 0 1 293.411 2.525 20 30 CFEDMN C[C@@H](O)CN(CC#Cc1ccccc1)Cc1ccccc1 ZINC000578577537 382933780 /nfs/dbraw/zinc/93/37/80/382933780.db2.gz UUYLEHNQFICFKF-QGZVFWFLSA-N 0 1 279.383 2.921 20 30 CFEDMN CC[C@H](CC#N)NC(=O)c1cccc(Br)c1O ZINC000545155180 382975563 /nfs/dbraw/zinc/97/55/63/382975563.db2.gz GIRCBAHTGJTEMJ-MRVPVSSYSA-N 0 1 297.152 2.577 20 30 CFEDMN Cn1cc(C(C)(C)NCC#Cc2cccc(Cl)c2)cn1 ZINC000545292579 382976761 /nfs/dbraw/zinc/97/67/61/382976761.db2.gz IYVYLMYWGLYTJC-UHFFFAOYSA-N 0 1 287.794 2.950 20 30 CFEDMN COC(=O)[C@@H]1C[C@H](C)CCN1CCCCC(C)(C)C#N ZINC000444691030 382978387 /nfs/dbraw/zinc/97/83/87/382978387.db2.gz WTMDTFCHQUYSRO-KGLIPLIRSA-N 0 1 280.412 2.980 20 30 CFEDMN C[C@H](C#N)CN(C)C[C@]1(C)CCN(C(=O)OC(C)(C)C)C1 ZINC000495335256 382981189 /nfs/dbraw/zinc/98/11/89/382981189.db2.gz FIMHERDMFYOFNN-CJNGLKHVSA-N 0 1 295.427 2.725 20 30 CFEDMN C=CCN(CC=C)C(=O)[C@H](C)N[C@H](c1cccnc1)C1CC1 ZINC000445809295 382984874 /nfs/dbraw/zinc/98/48/74/382984874.db2.gz VTGOOIOSUJPENR-YOEHRIQHSA-N 0 1 299.418 2.711 20 30 CFEDMN C[C@@H]1CN(Cc2ccc(CC#N)cc2)[C@@H](C)[C@@H](C)O1 ZINC000446075247 382987750 /nfs/dbraw/zinc/98/77/50/382987750.db2.gz XAIPREACHXDRBW-HZSPNIEDSA-N 0 1 258.365 2.750 20 30 CFEDMN N#Cc1ccc([C@H](C(N)=O)N2CC[C@@H](C3CCCC3)C2)cc1 ZINC000579223538 382993906 /nfs/dbraw/zinc/99/39/06/382993906.db2.gz ZOVPJCPGXLSAIA-IAGOWNOFSA-N 0 1 297.402 2.597 20 30 CFEDMN CN(Cc1cc(C(C)(C)C)[nH]n1)C[C@@H](C#N)CCC#N ZINC000447404737 382997243 /nfs/dbraw/zinc/99/72/43/382997243.db2.gz LMRMEXMRRSQEHB-GFCCVEGCSA-N 0 1 273.384 2.583 20 30 CFEDMN C[C@H](NCCOc1ccc(C#N)cc1)c1ccncc1F ZINC000338361311 383004213 /nfs/dbraw/zinc/00/42/13/383004213.db2.gz YQBHKPUXNXVLLP-LBPRGKRZSA-N 0 1 285.322 2.822 20 30 CFEDMN CC(C)CN(CC(C)C)C(=O)CN1CCC(CC#N)CC1 ZINC000541949774 382967621 /nfs/dbraw/zinc/96/76/21/382967621.db2.gz XSDTVNVEVFQLFS-UHFFFAOYSA-N 0 1 293.455 2.753 20 30 CFEDMN CC[C@@]1(O)CCN(CC#Cc2ccc(C(F)(F)F)cc2)C1 ZINC000495198276 382969971 /nfs/dbraw/zinc/96/99/71/382969971.db2.gz AJWBDDMGIFRANQ-OAHLLOKOSA-N 0 1 297.320 2.904 20 30 CFEDMN N#CCC1CCN(CC(=O)NCCC2=CCCCC2)CC1 ZINC000542878903 382970211 /nfs/dbraw/zinc/97/02/11/382970211.db2.gz LKKLGWXAXZODKN-UHFFFAOYSA-N 0 1 289.423 2.619 20 30 CFEDMN CN(CC1CCCCC1)C(=O)CN1CCC(CC#N)CC1 ZINC000542883123 382970234 /nfs/dbraw/zinc/97/02/34/382970234.db2.gz JKNCCKOSJCDUGG-UHFFFAOYSA-N 0 1 291.439 2.651 20 30 CFEDMN C[C@@H]1CCC[C@@H](NC(=O)CN2CCC(CC#N)CC2)[C@@H]1C ZINC000542878555 382970649 /nfs/dbraw/zinc/97/06/49/382970649.db2.gz GFGAOMARDWNMLI-IIAWOOMASA-N 0 1 291.439 2.553 20 30 CFEDMN CCN(C)[C@H](C(=O)N(CC)C[C@H](C)C#N)c1ccccc1 ZINC000245820671 383038600 /nfs/dbraw/zinc/03/86/00/383038600.db2.gz MAFKOMPTCOYORG-ZBFHGGJFSA-N 0 1 287.407 2.688 20 30 CFEDMN C#CCN1CCC(C(=O)N2[C@H](C)C[C@@H]3CCCC[C@H]32)CC1 ZINC000246186281 383065994 /nfs/dbraw/zinc/06/59/94/383065994.db2.gz SLLNPVZAFMKUQX-HYVNUMGLSA-N 0 1 288.435 2.511 20 30 CFEDMN COC(=O)C(C)(C)CCN(CCC#N)CC(C)(C)C ZINC000338548612 383022403 /nfs/dbraw/zinc/02/24/03/383022403.db2.gz VCOKHVQVJWAYPW-UHFFFAOYSA-N 0 1 268.401 2.837 20 30 CFEDMN C=CCC[C@H](O)C[N@H+]1C[C@H](C2CCCCC2)C[C@@H]1C(=O)[O-] ZINC000579497165 383025199 /nfs/dbraw/zinc/02/51/99/383025199.db2.gz JKARMQSBGVBZMA-OWCLPIDISA-N 0 1 295.423 2.669 20 30 CFEDMN C[C@H](CC#N)N(C)CC[C@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC000496921322 383126924 /nfs/dbraw/zinc/12/69/24/383126924.db2.gz ODSKNXPMJCHQEX-KGLIPLIRSA-N 0 1 295.427 2.867 20 30 CFEDMN Cc1cccc2nc([C@@H](C#N)C(=O)Nc3ccccn3)[nH]c21 ZINC000505449510 383142347 /nfs/dbraw/zinc/14/23/47/383142347.db2.gz PYTDNXXUBGZARV-LLVKDONJSA-N 0 1 291.314 2.512 20 30 CFEDMN C[C@H](C#N)CNC1CC(c2cc(F)cc(F)c2)C1 ZINC000582387452 383087041 /nfs/dbraw/zinc/08/70/41/383087041.db2.gz WVHUMAINMLMCHT-FDMSEYEVSA-N 0 1 250.292 2.960 20 30 CFEDMN C=CCOc1ccccc1CN(CCOC)C1CC1 ZINC000507161515 383145165 /nfs/dbraw/zinc/14/51/65/383145165.db2.gz RFRRMZPXFYKQLS-UHFFFAOYSA-N 0 1 261.365 2.862 20 30 CFEDMN CC#CCN(C)CCOc1ccccc1Br ZINC000565112279 383175330 /nfs/dbraw/zinc/17/53/30/383175330.db2.gz JBNWWOGZDMCAOX-UHFFFAOYSA-N 0 1 282.181 2.783 20 30 CFEDMN C=CCC[C@@H](O)C[N@@H+](Cc1ccccc1)C[C@@H](C)C(=O)[O-] ZINC000565106746 383175612 /nfs/dbraw/zinc/17/56/12/383175612.db2.gz LVUCZTCEUFOATL-GDBMZVCRSA-N 0 1 291.391 2.536 20 30 CFEDMN CCN(CC/C=C\c1cncc(OC)c1)C[C@@H](C)C#N ZINC000565478199 383179055 /nfs/dbraw/zinc/17/90/55/383179055.db2.gz MVDVIXPDEPKJLC-VSKVDJIOSA-N 0 1 273.380 2.975 20 30 CFEDMN C=C(C)CN(Cc1cnn(C(C)C)c1)C[C@@H](O)CC ZINC000339193991 383183228 /nfs/dbraw/zinc/18/32/28/383183228.db2.gz PHTFEZBUIKSNEX-HNNXBMFYSA-N 0 1 265.401 2.613 20 30 CFEDMN N#CCc1ccc(NC(=O)c2cccc3cn[nH]c32)cc1 ZINC000247777301 383195635 /nfs/dbraw/zinc/19/56/35/383195635.db2.gz XWASQFFROUVPAF-UHFFFAOYSA-N 0 1 276.299 2.881 20 30 CFEDMN C=C(C)CN(CC)CC(=O)NC1C2CC3CC(C2)CC1C3 ZINC000514853305 383155632 /nfs/dbraw/zinc/15/56/32/383155632.db2.gz URLQSPVXSHUXHO-UHFFFAOYSA-N 0 1 290.451 2.825 20 30 CFEDMN C=CC[N@H+](C)[C@@H](C(=O)[O-])c1cccc(Br)c1 ZINC000516187595 383162217 /nfs/dbraw/zinc/16/22/17/383162217.db2.gz GDOAKLUMJAAGMS-LLVKDONJSA-N 0 1 284.153 2.693 20 30 CFEDMN CC(C)(CO)[C@H](CNC[C@@H](C#N)CCC#N)c1ccccc1 ZINC000562997826 383164457 /nfs/dbraw/zinc/16/44/57/383164457.db2.gz XOTLTWYIRUUWRR-NVXWUHKLSA-N 0 1 299.418 2.822 20 30 CFEDMN C[C@H](O)[C@@](C)(CNC[C@H](C#N)CCC#N)Cc1ccccc1 ZINC000520582991 383264224 /nfs/dbraw/zinc/26/42/24/383264224.db2.gz GHCPHINXKGZTMV-RYQLBKOJSA-N 0 1 299.418 2.649 20 30 CFEDMN C=C(C)CN(CC)CC(=O)N[C@H]1CCCC[C@H]1C ZINC000248249928 383221730 /nfs/dbraw/zinc/22/17/30/383221730.db2.gz RYVDQWXIASLEOW-KGLIPLIRSA-N 0 1 252.402 2.579 20 30 CFEDMN C[C@H]1CCN(CC(=O)Nc2ccc(C#N)c(Cl)c2)[C@H]1C ZINC000248357001 383227116 /nfs/dbraw/zinc/22/71/16/383227116.db2.gz PAACLIKJNTYRDB-QWRGUYRKSA-N 0 1 291.782 2.880 20 30 CFEDMN C[C@@H]1CSCCN(Cc2ccc(C#N)cc2[N+](=O)[O-])C1 ZINC000567988904 383340097 /nfs/dbraw/zinc/34/00/97/383340097.db2.gz RZMIGDXOLPWQLY-NSHDSACASA-N 0 1 291.376 2.651 20 30 CFEDMN C[C@@H]1CN2CCCC[C@H]2CN1c1ncc2c(c1C#N)CCC2 ZINC000425228432 383344139 /nfs/dbraw/zinc/34/41/39/383344139.db2.gz KDWTUZMTBGXTMU-HIFRSBDPSA-N 0 1 296.418 2.505 20 30 CFEDMN C[C@@H]1C[C@@H](O)C[C@H](C)N1CC#Cc1cccc(Cl)c1 ZINC000248747217 383287348 /nfs/dbraw/zinc/28/73/48/383287348.db2.gz FRRSIXDEWRSTSS-YWVIFJGQSA-N 0 1 277.795 2.925 20 30 CFEDMN Cn1cc(CN2CCS[C@H]3CCCC[C@H]32)cc1C#N ZINC000248906651 383306844 /nfs/dbraw/zinc/30/68/44/383306844.db2.gz WQOSAAVGWGDCGF-CABCVRRESA-N 0 1 275.421 2.757 20 30 CFEDMN N#CCc1ccccc1NC(=O)[C@H]1CCCc2[nH]ncc21 ZINC000567750793 383311330 /nfs/dbraw/zinc/31/13/30/383311330.db2.gz IREMJPWGDSPXFG-LBPRGKRZSA-N 0 1 280.331 2.534 20 30 CFEDMN CCN(C[C@H](C)C#N)C[C@@H](O)[C@@H](C)c1ccccc1 ZINC000450330224 383391054 /nfs/dbraw/zinc/39/10/54/383391054.db2.gz SPPHXCPNXCGLOK-IJEWVQPXSA-N 0 1 260.381 2.633 20 30 CFEDMN COC(=O)[C@H]1CCN(CC#Cc2ccc(Cl)cc2)[C@@H]1C ZINC000469831778 383372048 /nfs/dbraw/zinc/37/20/48/383372048.db2.gz SXZFGJXCKRTHOH-DOMZBBRYSA-N 0 1 291.778 2.575 20 30 CFEDMN C=CCn1cc(CNC2CC3(C2)CCCCC3)nn1 ZINC000425348426 383374745 /nfs/dbraw/zinc/37/47/45/383374745.db2.gz DXYFVMQONBLMGV-UHFFFAOYSA-N 0 1 260.385 2.667 20 30 CFEDMN C=C(C)CN(C)CC(=O)NCCc1c(C)cc(C)cc1C ZINC000481266676 383424298 /nfs/dbraw/zinc/42/42/98/383424298.db2.gz DEQQJPXWPBGZLI-UHFFFAOYSA-N 0 1 288.435 2.778 20 30 CFEDMN CN(Cc1cccc(F)c1C#N)C[C@@H]1CCCOC1 ZINC000428212211 383425200 /nfs/dbraw/zinc/42/52/00/383425200.db2.gz ZNZLAYWTVHACGZ-LBPRGKRZSA-N 0 1 262.328 2.556 20 30 CFEDMN CO[C@@H]1CN(Cc2ccc(F)c(C#N)c2)CC[C@H]1C ZINC000253341499 383450216 /nfs/dbraw/zinc/45/02/16/383450216.db2.gz YTADVOAWIBKGLS-IAQYHMDHSA-N 0 1 262.328 2.554 20 30 CFEDMN C[C@]1(NCc2cccc(F)c2C#N)CCO[C@H]1C1CC1 ZINC000428343620 383454108 /nfs/dbraw/zinc/45/41/08/383454108.db2.gz HAKVTIBXDMMWQV-HOTGVXAUSA-N 0 1 274.339 2.745 20 30 CFEDMN C=CCOc1ccc(CN2C[C@H](O)C3(CC3)C2)cc1Cl ZINC000428379587 383460442 /nfs/dbraw/zinc/46/04/42/383460442.db2.gz WPXMTDFPOUDVCH-HNNXBMFYSA-N 0 1 293.794 2.862 20 30 CFEDMN Cc1nc(CN(CC(C)C)c2ccc(C#N)cc2)n[nH]1 ZINC000428389300 383464007 /nfs/dbraw/zinc/46/40/07/383464007.db2.gz ZBQPJSNKIRLEPM-UHFFFAOYSA-N 0 1 269.352 2.647 20 30 CFEDMN Cc1cccc2nc(CCC(=O)N[C@]3(C#N)CC3(C)C)[nH]c21 ZINC000427882385 383417150 /nfs/dbraw/zinc/41/71/50/383417150.db2.gz ATRFCLOQDQQHFR-KRWDZBQOSA-N 0 1 296.374 2.612 20 30 CFEDMN C=CC[C@H](C(=O)N1CCN(C)[C@H](C)[C@@H]1C)c1ccccc1 ZINC000428021161 383420356 /nfs/dbraw/zinc/42/03/56/383420356.db2.gz HNDCXRQOULZYNA-VYDXJSESSA-N 0 1 286.419 2.897 20 30 CFEDMN C=CCN(Cc1cccs1)C(=O)[C@@H]1C[C@H]1c1cnc[nH]1 ZINC000635184639 383501066 /nfs/dbraw/zinc/50/10/66/383501066.db2.gz BABXDMBKOJEZSC-CHWSQXEVSA-N 0 1 287.388 2.790 20 30 CFEDMN C=CCOCCCN1[C@H](C)CN(C(=O)C(C)(C)C)C[C@@H]1C ZINC000429385444 383526101 /nfs/dbraw/zinc/52/61/01/383526101.db2.gz KZWBKUHAYVVCNB-GASCZTMLSA-N 0 1 296.455 2.546 20 30 CFEDMN N#CC1(C[C@@H](O)CN2CCc3ccc(Cl)cc3C2)CC1 ZINC000528426120 383531478 /nfs/dbraw/zinc/53/14/78/383531478.db2.gz DFPINQFOZSDXHS-OAHLLOKOSA-N 0 1 290.794 2.753 20 30 CFEDMN C=CCN1CC[C@H](N(C)C[C@@H]2CCCCC2(F)F)C1=O ZINC000450898011 383541109 /nfs/dbraw/zinc/54/11/09/383541109.db2.gz AYGYCPUMYZZQTE-STQMWFEESA-N 0 1 286.366 2.531 20 30 CFEDMN COc1cc2c(c(CNCC3(CC#N)CC3)c1)O[C@H](C)C2 ZINC000430061587 383587845 /nfs/dbraw/zinc/58/78/45/383587845.db2.gz QUOOIUHFAWJKOH-GFCCVEGCSA-N 0 1 286.375 2.802 20 30 CFEDMN Cc1cc(F)ccc1CN(C)Cc1cc(C#N)n(C)c1 ZINC000488567980 383562354 /nfs/dbraw/zinc/56/23/54/383562354.db2.gz ZSSRZPOVCIEEOA-UHFFFAOYSA-N 0 1 271.339 2.976 20 30 CFEDMN CCC[C@@H](C)[C@H](CO)NCc1cccc(F)c1C#N ZINC000570573027 383614759 /nfs/dbraw/zinc/61/47/59/383614759.db2.gz FIYHXBVQTSGZDM-ABAIWWIYSA-N 0 1 264.344 2.584 20 30 CFEDMN CO[C@@H]1C[C@H](NCc2ccc(F)cc2C#N)C1(C)C ZINC000451504579 383630675 /nfs/dbraw/zinc/63/06/75/383630675.db2.gz QZXSXJWCCFULLP-UONOGXRCSA-N 0 1 262.328 2.600 20 30 CFEDMN Cc1nc2ccc(C(=O)[C@H](C#N)c3ccncn3)cc2s1 ZINC000433198727 383756522 /nfs/dbraw/zinc/75/65/22/383756522.db2.gz HKCIHNGNIVIZJO-LLVKDONJSA-N 0 1 294.339 2.885 20 30 CFEDMN Cc1nc2ccc(C(=O)C(C#N)c3ccncn3)cc2s1 ZINC000433198727 383756524 /nfs/dbraw/zinc/75/65/24/383756524.db2.gz HKCIHNGNIVIZJO-LLVKDONJSA-N 0 1 294.339 2.885 20 30 CFEDMN C[C@H]1CN(CCCNc2ccc(F)cc2C#N)C[C@H](C)O1 ZINC000264692174 383772565 /nfs/dbraw/zinc/77/25/65/383772565.db2.gz ZNJLEJPKZWCPAX-STQMWFEESA-N 0 1 291.370 2.609 20 30 CFEDMN C=C(CNC(=O)[C@@H]1CCN1C1CCCC1)c1ccccc1 ZINC000635928818 383664052 /nfs/dbraw/zinc/66/40/52/383664052.db2.gz AHAAIGGDAHNRKI-KRWDZBQOSA-N 0 1 284.403 2.833 20 30 CFEDMN CCC(C#N)(CC)C(=O)N[C@@H]1CCN(C)[C@@H]1c1ccccc1 ZINC000528911590 383674808 /nfs/dbraw/zinc/67/48/08/383674808.db2.gz AKCNADLETUKDDC-HZPDHXFCSA-N 0 1 299.418 2.878 20 30 CFEDMN C=C(C)CN(CC)C(=O)CNC1(c2ccccc2C)CC1 ZINC000645979019 383810559 /nfs/dbraw/zinc/81/05/59/383810559.db2.gz OXJQJRWGPCBOSX-UHFFFAOYSA-N 0 1 286.419 2.998 20 30 CFEDMN CN(CCCCC#N)[C@H]1CCN(c2ccccc2F)C1=O ZINC000264843868 383789493 /nfs/dbraw/zinc/78/94/93/383789493.db2.gz JSGVGDHMOIFPAO-HNNXBMFYSA-N 0 1 289.354 2.557 20 30 CFEDMN N#CCCCCN1CCN(c2cccc(F)c2F)CC1 ZINC000265209183 383860393 /nfs/dbraw/zinc/86/03/93/383860393.db2.gz LTBLOGOBYIASQV-UHFFFAOYSA-N 0 1 279.334 2.781 20 30 CFEDMN C=CC1CCN(C(=O)c2cn[nH]c2-c2ccccn2)CC1 ZINC000573144066 383880985 /nfs/dbraw/zinc/88/09/85/383880985.db2.gz NMMBPYGBWUCSRC-UHFFFAOYSA-N 0 1 282.347 2.510 20 30 CFEDMN CNc1ccc(C#N)cc1NC(=O)c1c(O)cccc1F ZINC000436675919 383870714 /nfs/dbraw/zinc/87/07/14/383870714.db2.gz NAWANOGQJOANLB-UHFFFAOYSA-N 0 1 285.278 2.697 20 30 CFEDMN CC1=C[C@H](C)CN(Cc2ccc(C#N)cc2[N+](=O)[O-])C1 ZINC000573123401 383875790 /nfs/dbraw/zinc/87/57/90/383875790.db2.gz GWXOLVBBOACXPI-NSHDSACASA-N 0 1 271.320 2.864 20 30 CFEDMN C=CCCCCCN(C)C(=O)c1conc1C(C)(C)N ZINC000573338163 383913583 /nfs/dbraw/zinc/91/35/83/383913583.db2.gz FQWUCUCQBQWAKG-UHFFFAOYSA-N 0 1 279.384 2.687 20 30 CFEDMN C[C@@H]1CCC[C@](C#N)(NC(=O)c2cccc3n[nH]cc32)C1 ZINC000265356342 383900898 /nfs/dbraw/zinc/90/08/98/383900898.db2.gz LHSMRTLUNIMHDN-BZNIZROVSA-N 0 1 282.347 2.765 20 30 CFEDMN C=C1CCN(CCOc2ccc(C#N)cc2OC)CC1 ZINC000265793606 384000612 /nfs/dbraw/zinc/00/06/12/384000612.db2.gz ACPGYDZPOQCCIC-UHFFFAOYSA-N 0 1 272.348 2.598 20 30 CFEDMN CCO[C@H]1C[C@H]([N@@H+](C)Cc2ccc(C#N)cn2)C1(C)C ZINC000573665347 383968536 /nfs/dbraw/zinc/96/85/36/383968536.db2.gz PZRLWKZMYKGBBJ-GJZGRUSLSA-N 0 1 273.380 2.589 20 30 CFEDMN CCO[C@H]1C[C@H](N(C)Cc2ccc(C#N)cn2)C1(C)C ZINC000573665347 383968542 /nfs/dbraw/zinc/96/85/42/383968542.db2.gz PZRLWKZMYKGBBJ-GJZGRUSLSA-N 0 1 273.380 2.589 20 30 CFEDMN C[C@@H]1CCC[C@H](CO)N1Cc1ccc(C#N)cc1Cl ZINC000439444142 384035911 /nfs/dbraw/zinc/03/59/11/384035911.db2.gz AQXKDBHWZHLLOM-BXUZGUMPSA-N 0 1 278.783 2.947 20 30 CFEDMN C[C@@H]1C[C@H](C)N(CC(=O)Nc2cc(Cl)ccc2C#N)C1 ZINC000532970835 384088007 /nfs/dbraw/zinc/08/80/07/384088007.db2.gz ZSNRXDQMIWSJAP-MNOVXSKESA-N 0 1 291.782 2.880 20 30 CFEDMN N#Cc1ccc(CN2CCC[C@@H](c3ccncc3)C2)nc1 ZINC000574766795 384143813 /nfs/dbraw/zinc/14/38/13/384143813.db2.gz RYLXOVYXTSTUKQ-MRXNPFEDSA-N 0 1 278.359 2.728 20 30 CFEDMN CCn1cc(CN[C@@H](C)c2cccc(C#N)c2)cn1 ZINC000266584534 384203879 /nfs/dbraw/zinc/20/38/79/384203879.db2.gz MGJWTORSQBUSED-LBPRGKRZSA-N 0 1 254.337 2.625 20 30 CFEDMN C=CCN(Cc1cccs1)C(=O)c1oc(CN)cc1C ZINC000637890240 384254186 /nfs/dbraw/zinc/25/41/86/384254186.db2.gz SSISNNVANFKFTK-UHFFFAOYSA-N 0 1 290.388 2.937 20 30 CFEDMN CCC#C[C@@H](C)N1CC[C@H](OCc2c(C)noc2C)C1 ZINC000680819735 542368708 /nfs/dbraw/zinc/36/87/08/542368708.db2.gz AOVFRUQPKYMHTN-DOMZBBRYSA-N 0 1 276.380 2.684 20 30 CFEDMN C=C[C@H](CO)NCc1ccccc1OC1CCCC1 ZINC000641772064 384338158 /nfs/dbraw/zinc/33/81/58/384338158.db2.gz GGEUFIKKDLSFJA-CQSZACIVSA-N 0 1 261.365 2.645 20 30 CFEDMN C=CC[C@H](C)NC(=O)[C@H](N)c1ccc(C(F)(F)F)cc1 ZINC000638011341 384352982 /nfs/dbraw/zinc/35/29/82/384352982.db2.gz WMFYDJZBWLZJTH-JOYOIKCWSA-N 0 1 286.297 2.786 20 30 CFEDMN CC#CC[C@@H](CO)NCc1ccc(C)cc1Br ZINC000641767276 384333675 /nfs/dbraw/zinc/33/36/75/384333675.db2.gz IDQZMRPSGHSKDW-ZDUSSCGKSA-N 0 1 296.208 2.621 20 30 CFEDMN CC#CC[C@@H](CO)NCc1c(Cl)oc2ccccc21 ZINC000641767527 384334103 /nfs/dbraw/zinc/33/41/03/384334103.db2.gz LRVZPYDHASKIAO-NSHDSACASA-N 0 1 277.751 2.950 20 30 CFEDMN N#Cc1ccc(CN2CC[C@@H](CC(F)(F)F)C2)o1 ZINC000278451193 384579340 /nfs/dbraw/zinc/57/93/40/384579340.db2.gz XVWXALLVEZIBBP-VIFPVBQESA-N 0 1 258.243 2.926 20 30 CFEDMN C=CC(C)(C)CCNC(=O)[C@H]1NCCc2ccccc21 ZINC000638455130 384672394 /nfs/dbraw/zinc/67/23/94/384672394.db2.gz RFYMNDSXHMMGJA-HNNXBMFYSA-N 0 1 272.392 2.592 20 30 CFEDMN C#CCN(Cc1ccc(Cl)cc1-n1cncn1)C1CC1 ZINC000279810926 384770661 /nfs/dbraw/zinc/77/06/61/384770661.db2.gz FJVUAQSCCDGKSO-UHFFFAOYSA-N 0 1 286.766 2.518 20 30 CFEDMN C=C(C)COCCNCc1nc2ccccc2nc1C ZINC000638757776 384892817 /nfs/dbraw/zinc/89/28/17/384892817.db2.gz NXGOGZKVLUFHJE-UHFFFAOYSA-N 0 1 271.364 2.621 20 30 CFEDMN C=C[C@](C)(CCOC)c1nc(-c2ccn3cncc3c2)no1 ZINC000289257208 197276873 /nfs/dbraw/zinc/27/68/73/197276873.db2.gz QMXOWRZJHOOWHD-MRXNPFEDSA-N 0 1 298.346 2.865 20 30 CFEDMN C=CCOCCN1C[C@@H](C(F)(F)F)[C@H](C(F)(F)F)C1 ZINC000645089891 385180753 /nfs/dbraw/zinc/18/07/53/385180753.db2.gz WCCLKOASIVFXTH-RKDXNWHRSA-N 0 1 291.235 2.862 20 30 CFEDMN C=C[C@@H]1CCCC[N@@H+]1Cc1ccc2oc(=O)n(C)c2c1 ZINC000639113325 385209881 /nfs/dbraw/zinc/20/98/81/385209881.db2.gz ZLDUUPLKFQDBEP-CYBMUJFWSA-N 0 1 272.348 2.672 20 30 CFEDMN C=C[C@@H]1CCCCN1Cc1ccc2oc(=O)n(C)c2c1 ZINC000639113325 385209884 /nfs/dbraw/zinc/20/98/84/385209884.db2.gz ZLDUUPLKFQDBEP-CYBMUJFWSA-N 0 1 272.348 2.672 20 30 CFEDMN C=C[C@@H](CC(=O)N1CCN(C)CC1(C)C)c1ccccc1 ZINC000270862470 385251024 /nfs/dbraw/zinc/25/10/24/385251024.db2.gz AHVKPMOVTDHODN-HNNXBMFYSA-N 0 1 286.419 2.899 20 30 CFEDMN CCC1(CO)CCN(Cc2ccccc2C#N)CC1 ZINC000270887211 385258364 /nfs/dbraw/zinc/25/83/64/385258364.db2.gz MERSZNWNBXAJKJ-UHFFFAOYSA-N 0 1 258.365 2.543 20 30 CFEDMN Cc1cc([C@H]2CCCN(c3nc(C)cc(C)c3C#N)C2)[nH]n1 ZINC000282280737 385270769 /nfs/dbraw/zinc/27/07/69/385270769.db2.gz POEGSZXYAMRGKE-AWEZNQCLSA-N 0 1 295.390 2.986 20 30 CFEDMN C#CCN(CC)Cc1cc(CC=C)c(O)c(OC)c1 ZINC000271139673 385348753 /nfs/dbraw/zinc/34/87/53/385348753.db2.gz OHYXSVNEARWSKP-UHFFFAOYSA-N 0 1 259.349 2.584 20 30 CFEDMN N#CCN(Cc1cnc(-c2ccccc2)[nH]1)C1CC1 ZINC000271148157 385351014 /nfs/dbraw/zinc/35/10/14/385351014.db2.gz SRPAICGUEBDCKC-UHFFFAOYSA-N 0 1 252.321 2.565 20 30 CFEDMN COc1ccc(CN[C@H](C)c2ccc(C#N)cc2)nc1 ZINC000272053035 385436748 /nfs/dbraw/zinc/43/67/48/385436748.db2.gz QTHKTRFXYNOEHX-GFCCVEGCSA-N 0 1 267.332 2.813 20 30 CFEDMN N#Cc1ccccc1OCCN1CCCc2occc2C1 ZINC000288882909 197185318 /nfs/dbraw/zinc/18/53/18/197185318.db2.gz RGYBMKKBLOQONQ-UHFFFAOYSA-N 0 1 282.343 2.978 20 30 CFEDMN N#Cc1cc(CN2CCC[C@H]2[C@@H]2CCCO2)ccc1F ZINC000283950112 385518318 /nfs/dbraw/zinc/51/83/18/385518318.db2.gz ALUODQVOXXPZCS-HOTGVXAUSA-N 0 1 274.339 2.841 20 30 CFEDMN C=CCOCCN[C@H](C)c1cc(OC)c(OC)cc1F ZINC000272581134 385567656 /nfs/dbraw/zinc/56/76/56/385567656.db2.gz QLCREQTUZJEWSD-LLVKDONJSA-N 0 1 283.343 2.696 20 30 CFEDMN CN(Cc1ccc(C#N)cc1F)C[C@@H]1CCCC[C@H]1O ZINC000272591147 385571169 /nfs/dbraw/zinc/57/11/69/385571169.db2.gz TVFGQTCTZOMQFK-GOEBONIOSA-N 0 1 276.355 2.680 20 30 CFEDMN C#CC(C)(C)[N@@H+](C)C[C@@H](O)c1ccccc1Cl ZINC000286374340 385600962 /nfs/dbraw/zinc/60/09/62/385600962.db2.gz YWMLMLUJBUVSQF-CYBMUJFWSA-N 0 1 251.757 2.717 20 30 CFEDMN Cc1ccc(C#N)cc1NC(=O)N[C@@H](C)C1=CC[N@@H+](C)CC1 ZINC000272658228 385583860 /nfs/dbraw/zinc/58/38/60/385583860.db2.gz GWWDFFZLCOBHHN-ZDUSSCGKSA-N 0 1 298.390 2.639 20 30 CFEDMN CC[N@H+]1CCN(c2nc(C(F)(F)F)ccc2C#N)[C@@H](C)C1 ZINC000286299742 385584997 /nfs/dbraw/zinc/58/49/97/385584997.db2.gz JKCXGERXNHSXPO-JTQLQIEISA-N 0 1 298.312 2.502 20 30 CFEDMN CCN1CCN(c2nc(C(F)(F)F)ccc2C#N)[C@@H](C)C1 ZINC000286299742 385585000 /nfs/dbraw/zinc/58/50/00/385585000.db2.gz JKCXGERXNHSXPO-JTQLQIEISA-N 0 1 298.312 2.502 20 30 CFEDMN C=CC[C@H](C(=O)N[C@@H](C)c1n[nH]c(C)n1)c1ccccc1 ZINC000286445276 385622096 /nfs/dbraw/zinc/62/20/96/385622096.db2.gz ROGULVQNKFVUGD-FZMZJTMJSA-N 0 1 284.363 2.650 20 30 CFEDMN C=CCS(=O)(=O)CCN[C@@H](C)c1ccc(Cl)s1 ZINC000272814854 385623215 /nfs/dbraw/zinc/62/32/15/385623215.db2.gz DRJYPHJWDMEHHC-VIFPVBQESA-N 0 1 293.841 2.653 20 30 CFEDMN C=CC[C@@H]1CCCN(CC(=O)N(CC)CC(F)(F)F)C1 ZINC000639799074 385716062 /nfs/dbraw/zinc/71/60/62/385716062.db2.gz VPRGVPQWLPOIBQ-GFCCVEGCSA-N 0 1 292.345 2.685 20 30 CFEDMN C#CCN(Cc1ccc(OCc2nccn2C)cc1)C1CC1 ZINC000274197732 385738704 /nfs/dbraw/zinc/73/87/04/385738704.db2.gz QYMNSQOMZKQGTB-UHFFFAOYSA-N 0 1 295.386 2.597 20 30 CFEDMN CC#CCCCC(=O)Nc1ncc(C(F)(F)F)[nH]1 ZINC000274497113 385811552 /nfs/dbraw/zinc/81/15/52/385811552.db2.gz RVZNLJFZHWACCH-UHFFFAOYSA-N 0 1 259.231 2.561 20 30 CFEDMN C=CCN(CC=C)[C@@H](CNC(=O)CCCC(C)=O)C(C)C ZINC000274662981 385844607 /nfs/dbraw/zinc/84/46/07/385844607.db2.gz HCBNORJOEVYCJV-INIZCTEOSA-N 0 1 294.439 2.561 20 30 CFEDMN C=CCC1(C(=O)N[C@H]2CCCc3cn[nH]c32)CCC1 ZINC000276687079 386015754 /nfs/dbraw/zinc/01/57/54/386015754.db2.gz GNRBVMYXMKUKMX-LBPRGKRZSA-N 0 1 259.353 2.650 20 30 CFEDMN C=CCCCCCCCCNC(=O)c1n[nH]cc1[N+](=O)[O-] ZINC000288497317 197095050 /nfs/dbraw/zinc/09/50/50/197095050.db2.gz YYZDAOBLKQPZBF-UHFFFAOYSA-N 0 1 294.355 2.964 20 30 CFEDMN Cn1cc(CN2CCC[C@@H]2c2ccc[nH]2)cc1C#N ZINC000276750717 386032736 /nfs/dbraw/zinc/03/27/36/386032736.db2.gz KZUGDZNVLWEDPK-OAHLLOKOSA-N 0 1 254.337 2.562 20 30 CFEDMN Cc1ccc2c(c1C)OC[C@@H]2NCc1cc(C#N)n(C)c1 ZINC000277000554 386104668 /nfs/dbraw/zinc/10/46/68/386104668.db2.gz ZHYDNQZVWIGZKC-INIZCTEOSA-N 0 1 281.359 2.737 20 30 CFEDMN C[C@@H](C#N)Sc1nc(C=Cc2ccccc2)n[nH]1 ZINC000344257554 533166479 /nfs/dbraw/zinc/16/64/79/533166479.db2.gz KZOAHOVMJCLVGD-DMEOUFDRSA-N 0 1 256.334 2.979 20 30 CFEDMN C=CCCCCNC(=O)Nc1cnn(-c2ccncc2)c1 ZINC000681179669 542422024 /nfs/dbraw/zinc/42/20/24/542422024.db2.gz PUAVVLYJJZDFGV-UHFFFAOYSA-N 0 1 285.351 2.745 20 30 CFEDMN C=CCN1CC[C@@H](N(C)[C@H](C)c2cccc(C)c2)C1=O ZINC000281491217 195262378 /nfs/dbraw/zinc/26/23/78/195262378.db2.gz XIXKDFUQRKKYTI-GDBMZVCRSA-N 0 1 272.392 2.775 20 30 CFEDMN C=CC[C@H](C)NC(=O)NC[C@@H](c1ccc(F)cc1)N(C)C ZINC000116972155 260020110 /nfs/dbraw/zinc/02/01/10/260020110.db2.gz IQPVHNSDICUZFU-WFASDCNBSA-N 0 1 293.386 2.692 20 30 CFEDMN CC1(CO)CCN(CC#Cc2cccc(Cl)c2)CC1 ZINC000186949246 260024335 /nfs/dbraw/zinc/02/43/35/260024335.db2.gz GQRCPRUCCANXRO-UHFFFAOYSA-N 0 1 277.795 2.786 20 30 CFEDMN C=CCN1CC[C@@H](N([C@H](C)c2ccccc2)C2CC2)C1=O ZINC000281638247 195317457 /nfs/dbraw/zinc/31/74/57/195317457.db2.gz BVGQACLMNJNDOS-RHSMWYFYSA-N 0 1 284.403 2.999 20 30 CFEDMN C=CCN1CC[C@@H](N([C@@H](C)c2ccccc2)C2CC2)C1=O ZINC000281638251 195317525 /nfs/dbraw/zinc/31/75/25/195317525.db2.gz BVGQACLMNJNDOS-WMLDXEAASA-N 0 1 284.403 2.999 20 30 CFEDMN C=CCCCC(=O)N1CCC[C@H](c2cc(C)[nH]n2)C1 ZINC000283108145 195794146 /nfs/dbraw/zinc/79/41/46/195794146.db2.gz HAYRWNFQTBUWGO-ZDUSSCGKSA-N 0 1 261.369 2.780 20 30 CFEDMN CN1Cc2ccccc2[C@H](Nc2cccc(C#N)n2)C1 ZINC000366759789 130224426 /nfs/dbraw/zinc/22/44/26/130224426.db2.gz NVPJSLYVQHEBDO-OAHLLOKOSA-N 0 1 264.332 2.552 20 30 CFEDMN CCCC(=O)NC[C@@H]1CCCN(CC#Cc2ccccc2)C1 ZINC000191982763 130344075 /nfs/dbraw/zinc/34/40/75/130344075.db2.gz AZSWLAXQAYVEGD-SFHVURJKSA-N 0 1 298.430 2.666 20 30 CFEDMN C=CC[N@@H+](CCOC)CCOc1cc(C)cc(C)c1 ZINC000683041503 542633933 /nfs/dbraw/zinc/63/39/33/542633933.db2.gz YKPGYDFTDUMTNW-UHFFFAOYSA-N 0 1 263.381 2.817 20 30 CFEDMN Cc1cnc(CCN(C)CC#Cc2ccccc2)s1 ZINC000192130060 130378589 /nfs/dbraw/zinc/37/85/89/130378589.db2.gz QYMJOJQUIJETEB-UHFFFAOYSA-N 0 1 270.401 2.978 20 30 CFEDMN CC(C)C(=O)NC[C@H]1CCCN(Cc2ccccc2C#N)C1 ZINC000263780030 131329056 /nfs/dbraw/zinc/32/90/56/131329056.db2.gz VISZZKOOHURYSQ-OAHLLOKOSA-N 0 1 299.418 2.542 20 30 CFEDMN N#Cc1c(Cl)nsc1NCCN1CCCCC1 ZINC000263994720 131375693 /nfs/dbraw/zinc/37/56/93/131375693.db2.gz HVSWYODSEITBPU-UHFFFAOYSA-N 0 1 270.789 2.566 20 30 CFEDMN Cc1nc([C@@H]2CCCN(c3cccc(F)c3C#N)C2)n[nH]1 ZINC000268399454 132003861 /nfs/dbraw/zinc/00/38/61/132003861.db2.gz PLJUBGLTQOWWJX-LLVKDONJSA-N 0 1 285.326 2.508 20 30 CFEDMN Cc1nnc([C@@H]2CCCN(c3cccc(F)c3C#N)C2)[nH]1 ZINC000268399454 132003863 /nfs/dbraw/zinc/00/38/63/132003863.db2.gz PLJUBGLTQOWWJX-LLVKDONJSA-N 0 1 285.326 2.508 20 30 CFEDMN Cc1nc([C@H]2CCCN(c3cccc(F)c3C#N)C2)n[nH]1 ZINC000268399456 132003952 /nfs/dbraw/zinc/00/39/52/132003952.db2.gz PLJUBGLTQOWWJX-NSHDSACASA-N 0 1 285.326 2.508 20 30 CFEDMN Cc1nnc([C@H]2CCCN(c3cccc(F)c3C#N)C2)[nH]1 ZINC000268399456 132003953 /nfs/dbraw/zinc/00/39/53/132003953.db2.gz PLJUBGLTQOWWJX-NSHDSACASA-N 0 1 285.326 2.508 20 30 CFEDMN C=C(Cl)CN1CC[C@@H](C(=O)N(C)c2ccccc2)C1 ZINC000374046130 393479411 /nfs/dbraw/zinc/47/94/11/393479411.db2.gz QZDOEOZIXDVTNR-CYBMUJFWSA-N 0 1 278.783 2.724 20 30 CFEDMN CC1(C)CCC[C@]1(O)CNC(=O)[C@@H]1CCCc2[nH]ncc21 ZINC000329512641 393540077 /nfs/dbraw/zinc/54/00/77/393540077.db2.gz NMOHIRHXIAPZOQ-BZNIZROVSA-N 0 1 291.395 2.727 20 30 CFEDMN CCCNC(=O)[C@H]1CCC[N@@H+](Cc2ccc(C#N)cc2C)C1 ZINC000186191781 393541757 /nfs/dbraw/zinc/54/17/57/393541757.db2.gz NBORKGSDVKTXBM-KRWDZBQOSA-N 0 1 299.418 2.605 20 30 CFEDMN C=CCC(CC=C)C(=O)N[C@@H]1CCCc2cn[nH]c21 ZINC000374453248 393497249 /nfs/dbraw/zinc/49/72/49/393497249.db2.gz RRBATPFNTFJYLK-CYBMUJFWSA-N 0 1 259.353 2.672 20 30 CFEDMN COc1ccc(C#N)cc1C[N@@H+](C)CCCSC ZINC000305935395 393504217 /nfs/dbraw/zinc/50/42/17/393504217.db2.gz FBNPJBLJXCRKBY-UHFFFAOYSA-N 0 1 264.394 2.752 20 30 CFEDMN C=CCC[C@@H](NC(=O)N[C@H](C)c1nnc[nH]1)c1ccccc1 ZINC000183347759 393519729 /nfs/dbraw/zinc/51/97/29/393519729.db2.gz VMXFUWWSDSNWMO-TZMCWYRMSA-N 0 1 299.378 2.872 20 30 CFEDMN C=C(C)CN(CC)Cc1cc(-c2cnn(C)c2C)no1 ZINC000184422636 393527983 /nfs/dbraw/zinc/52/79/83/393527983.db2.gz QBYJPHIASIBELO-UHFFFAOYSA-N 0 1 274.368 2.782 20 30 CFEDMN CC(=O)c1cccc(NC(=O)c2ccc(C#N)c(O)c2)c1 ZINC000188213955 393562683 /nfs/dbraw/zinc/56/26/83/393562683.db2.gz KIVNPLBXHJFPJY-UHFFFAOYSA-N 0 1 280.283 2.719 20 30 CFEDMN CC(C)n1cc(C#N)c(=NC(=O)[C@@H]2CC[C@@H](C)[C@@H](C)C2)[nH]1 ZINC000410539951 393629540 /nfs/dbraw/zinc/62/95/40/393629540.db2.gz LBUODHOHARCRKG-FRRDWIJNSA-N 0 1 288.395 2.768 20 30 CFEDMN C=C(C)C(C)(C)C(=O)N1CCC(c2cnc[nH]2)CC1 ZINC000335101106 393641783 /nfs/dbraw/zinc/64/17/83/393641783.db2.gz UYJJCSKOZVUFLT-UHFFFAOYSA-N 0 1 261.369 2.718 20 30 CFEDMN Cc1ccsc1CN1CCN(c2ccc(C#N)cn2)CC1 ZINC000193853445 393665334 /nfs/dbraw/zinc/66/53/34/393665334.db2.gz HQKFSUAGLOXNMB-UHFFFAOYSA-N 0 1 298.415 2.645 20 30 CFEDMN O[C@@H]1C[C@@H](c2ccccc2)N(CC#Cc2ccccc2)C1 ZINC000411923452 393758214 /nfs/dbraw/zinc/75/82/14/393758214.db2.gz KPCPZGZMNRHNMJ-MOPGFXCFSA-N 0 1 277.367 2.846 20 30 CFEDMN C[C@@H]1CN(C)CCN1c1ccc(C(F)(F)F)cc1C#N ZINC000227537550 393772459 /nfs/dbraw/zinc/77/24/59/393772459.db2.gz AFODXXMDLURLEZ-SNVBAGLBSA-N 0 1 283.297 2.717 20 30 CFEDMN C[C@H]1OCCN(Cc2ccc(N(C)CCC#N)cc2)[C@H]1C ZINC000093418405 393799415 /nfs/dbraw/zinc/79/94/15/393799415.db2.gz PSFXBOCPLBVBIP-LSDHHAIUSA-N 0 1 287.407 2.646 20 30 CFEDMN CCC[C@H](N[C@H]1CC[C@H](C#N)C1)c1nnc2ccccn21 ZINC000339084465 393816798 /nfs/dbraw/zinc/81/67/98/393816798.db2.gz XNSJMJOOEUTSKG-IHRRRGAJSA-N 0 1 283.379 2.852 20 30 CFEDMN C=C(C)CN(C)[C@@H]1CCN([C@@H](C)c2ccc(F)cc2)C1=O ZINC000339078111 393816873 /nfs/dbraw/zinc/81/68/73/393816873.db2.gz HWDFDCOLSGMFNQ-XJKSGUPXSA-N 0 1 290.382 2.996 20 30 CFEDMN COCC1(C#N)CCN(Cc2ccc(F)c(C)c2)CC1 ZINC000342846358 393871890 /nfs/dbraw/zinc/87/18/90/393871890.db2.gz ZUNKJKPOTLUYEZ-UHFFFAOYSA-N 0 1 276.355 2.886 20 30 CFEDMN COCC1(C#N)CCN(Cc2ccc(C)s2)CC1 ZINC000342834593 393871922 /nfs/dbraw/zinc/87/19/22/393871922.db2.gz GDMKUYOLZBAUKH-UHFFFAOYSA-N 0 1 264.394 2.809 20 30 CFEDMN C=C(C)CN(CC)CC(=O)N(CC(C)C)C1CC1 ZINC000114712620 393901426 /nfs/dbraw/zinc/90/14/26/393901426.db2.gz HLAFDWPJFUICQI-UHFFFAOYSA-N 0 1 252.402 2.531 20 30 CFEDMN C=C(C)CN1CCCN(C(=O)c2ccc(F)cc2F)CC1 ZINC000114732056 393902734 /nfs/dbraw/zinc/90/27/34/393902734.db2.gz NLQRAFPFRUAUHO-UHFFFAOYSA-N 0 1 294.345 2.689 20 30 CFEDMN Cc1cc(C[N@@H+]2CCC[C@@H](C)[C@H]2C(=O)[O-])ccc1C#N ZINC000424424745 393846257 /nfs/dbraw/zinc/84/62/57/393846257.db2.gz XBHKNIXOPIAGCK-ABAIWWIYSA-N 0 1 272.348 2.552 20 30 CFEDMN N#Cc1c(F)cccc1CN1CC[C@]2(C1)CCCOC2 ZINC000428980629 393929924 /nfs/dbraw/zinc/92/99/24/393929924.db2.gz WECOASTUXIQDGP-INIZCTEOSA-N 0 1 274.339 2.700 20 30 CFEDMN COc1cc(C#N)ccc1C[N@H+]1CCS[C@@H](C)[C@@H]1C ZINC000121000007 393945742 /nfs/dbraw/zinc/94/57/42/393945742.db2.gz ICPBRZDXLPWRIR-RYUDHWBXSA-N 0 1 276.405 2.893 20 30 CFEDMN COc1cc(C#N)ccc1CN1CCS[C@@H](C)[C@@H]1C ZINC000121000007 393945744 /nfs/dbraw/zinc/94/57/44/393945744.db2.gz ICPBRZDXLPWRIR-RYUDHWBXSA-N 0 1 276.405 2.893 20 30 CFEDMN COC[C@H](N[C@H]1CC[C@H](C#N)C1)c1ccc(F)c(F)c1 ZINC000349344692 393968295 /nfs/dbraw/zinc/96/82/95/393968295.db2.gz TULIRKZLGWZBHL-WBIUFABUSA-N 0 1 280.318 2.934 20 30 CFEDMN C=C(C)COCCN[C@H](c1ccccc1)c1cncnc1 ZINC000349532395 393971444 /nfs/dbraw/zinc/97/14/44/393971444.db2.gz CIRUEFHDEVJQRO-QGZVFWFLSA-N 0 1 283.375 2.748 20 30 CFEDMN CC[C@H]1C[N@@H+](Cc2ccc(N(C)CCC#N)cc2)CCO1 ZINC000125581372 394010288 /nfs/dbraw/zinc/01/02/88/394010288.db2.gz YNWBUWREGIIDEB-KRWDZBQOSA-N 0 1 287.407 2.647 20 30 CFEDMN CC[C@H]1CN(Cc2ccc(N(C)CCC#N)cc2)CCO1 ZINC000125581372 394010292 /nfs/dbraw/zinc/01/02/92/394010292.db2.gz YNWBUWREGIIDEB-KRWDZBQOSA-N 0 1 287.407 2.647 20 30 CFEDMN C=CCCN(C)C(=O)[C@H](c1ccccc1)N(C)CC ZINC000276140113 394048789 /nfs/dbraw/zinc/04/87/89/394048789.db2.gz NGKXYWMXXQSCBG-HNNXBMFYSA-N 0 1 260.381 2.714 20 30 CFEDMN C#CCN1CCC(C(=O)O[C@@H](C)c2cccc(C#N)c2)CC1 ZINC000491362017 394048889 /nfs/dbraw/zinc/04/88/89/394048889.db2.gz OVPOFGPBWLAOCF-AWEZNQCLSA-N 0 1 296.370 2.508 20 30 CFEDMN C=CCN1C(=O)N=NC1SC[C@@H]1CCc2ccccc21 ZINC000355449329 394066247 /nfs/dbraw/zinc/06/62/47/394066247.db2.gz PACNKKIFFVWJBB-LBPRGKRZSA-N 0 1 287.388 2.992 20 30 CFEDMN CCCN1C(=O)N=NC1SCc1cc(F)ccc1C#N ZINC000130124026 394102674 /nfs/dbraw/zinc/10/26/74/394102674.db2.gz AMVGHOPNGNMDDJ-UHFFFAOYSA-N 0 1 292.339 2.697 20 30 CFEDMN CCN(CC(=O)Nc1cc(C#N)ccc1NC1CC1)C1CC1 ZINC000286002103 394177394 /nfs/dbraw/zinc/17/73/94/394177394.db2.gz QINMUGUMRBQHAD-UHFFFAOYSA-N 0 1 298.390 2.555 20 30 CFEDMN C=C(C)COCCN[C@@H](C)c1ccc(C#N)cc1F ZINC000358556520 394109692 /nfs/dbraw/zinc/10/96/92/394109692.db2.gz MHWGLYNXHOBRCE-LBPRGKRZSA-N 0 1 262.328 2.941 20 30 CFEDMN C[C@@H](c1ccc(C#N)cc1)N(C)Cc1cnc(N(C)C)nc1 ZINC000130907923 394121937 /nfs/dbraw/zinc/12/19/37/394121937.db2.gz DVGQPVICJZIUCZ-ZDUSSCGKSA-N 0 1 295.390 2.607 20 30 CFEDMN CCC1(C)CCN([C@@H](C(N)=O)c2ccc(C#N)cc2)CC1 ZINC000360285748 394147693 /nfs/dbraw/zinc/14/76/93/394147693.db2.gz LPNLMQVUYVFTCF-OAHLLOKOSA-N 0 1 285.391 2.597 20 30 CFEDMN CC(C)(CCC#N)CNC(=O)c1c[nH]c2ccccc2c1=O ZINC000360423529 394151414 /nfs/dbraw/zinc/15/14/14/394151414.db2.gz IVNJQLDQZMUPIY-UHFFFAOYSA-N 0 1 297.358 2.588 20 30 CFEDMN N#Cc1ccc(CNC[C@H](c2ccco2)N2CCCC2)o1 ZINC000135124309 394210853 /nfs/dbraw/zinc/21/08/53/394210853.db2.gz SNJUZXBZAMUIEV-OAHLLOKOSA-N 0 1 285.347 2.671 20 30 CFEDMN CC[C@H](C)N1CCN(C(=O)/C=C\c2cccc(C#N)c2)CC1 ZINC000493410563 394235476 /nfs/dbraw/zinc/23/54/76/394235476.db2.gz ABOVDVMAFZOXJM-LZNQSLFOSA-N 0 1 297.402 2.514 20 30 CFEDMN Fc1ccc(C#CCN2CCC(c3cnccn3)CC2)cc1 ZINC000366914285 394249010 /nfs/dbraw/zinc/24/90/10/394249010.db2.gz WFEWALMNMWFKQG-UHFFFAOYSA-N 0 1 295.361 2.847 20 30 CFEDMN C=CCC1(C(=O)N2C[C@@H](C)N(CC)C[C@@H]2C)CCC1 ZINC000362492951 394186337 /nfs/dbraw/zinc/18/63/37/394186337.db2.gz QTAUNWDJLAQDGK-KGLIPLIRSA-N 0 1 264.413 2.674 20 30 CFEDMN C[C@@H](c1ccc(C#N)cc1)N1CCC(F)(F)[C@@H](CO)C1 ZINC000291818037 394265096 /nfs/dbraw/zinc/26/50/96/394265096.db2.gz NUJRXXCLHFUJSK-SMDDNHRTSA-N 0 1 280.318 2.569 20 30 CFEDMN CC[C@@H]1CN(CC)CCN1C(=O)/C=C/c1ccc(C#N)cc1 ZINC000493533613 394271891 /nfs/dbraw/zinc/27/18/91/394271891.db2.gz XGYLGMZONJQRAH-OAGJVSPASA-N 0 1 297.402 2.514 20 30 CFEDMN N#Cc1cccc(CN(CCO)Cc2cccc(F)c2)c1 ZINC000494283050 394348548 /nfs/dbraw/zinc/34/85/48/394348548.db2.gz SJLFPMTVHCZSSN-UHFFFAOYSA-N 0 1 284.334 2.692 20 30 CFEDMN Cc1ccsc1[C@H](CO)NCc1ccc(F)c(C#N)c1 ZINC000494657170 394361669 /nfs/dbraw/zinc/36/16/69/394361669.db2.gz YSZSJWDYTWGIFT-AWEZNQCLSA-N 0 1 290.363 2.891 20 30 CFEDMN CCN(CC(=O)Nc1ccccc1SCC#N)C(C)C ZINC000173275693 394375425 /nfs/dbraw/zinc/37/54/25/394375425.db2.gz UUCSPRKSDGFDIX-UHFFFAOYSA-N 0 1 291.420 2.971 20 30 CFEDMN COC(=O)c1cccc(CN2CCC[C@@H]2C(C)C)c1C#N ZINC000535979683 394551014 /nfs/dbraw/zinc/55/10/14/394551014.db2.gz BCFLFOXGTXDLDX-MRXNPFEDSA-N 0 1 286.375 2.965 20 30 CFEDMN CN1Cc2ccccc2[C@@H](NCc2cc(C#N)cs2)C1 ZINC000536023065 394551315 /nfs/dbraw/zinc/55/13/15/394551315.db2.gz KWOBJRXMOSNKGC-INIZCTEOSA-N 0 1 283.400 2.896 20 30 CFEDMN CCN(CCC1CC1)Cc1cccc(C(=O)OC)c1C#N ZINC000544895064 394774352 /nfs/dbraw/zinc/77/43/52/394774352.db2.gz FPZJZKDLGORNGD-UHFFFAOYSA-N 0 1 286.375 2.967 20 30 CFEDMN Cc1csc(C(C#N)C(=O)c2cn(C)nc2C2CC2)n1 ZINC000685782913 542944016 /nfs/dbraw/zinc/94/40/16/542944016.db2.gz MSUVRUFPDKIJEH-SNVBAGLBSA-N 0 1 286.360 2.553 20 30 CFEDMN C=CC[C@H](CC)NC(=O)c1cc(F)cc2nc[nH]c21 ZINC000281697839 542965100 /nfs/dbraw/zinc/96/51/00/542965100.db2.gz LTIKJWSBFYLJDM-JTQLQIEISA-N 0 1 261.300 2.787 20 30 CFEDMN C=C(C)[C@@H](CO)Sc1nc(C=Cc2ccc(C)o2)n[nH]1 ZINC000649456063 395501067 /nfs/dbraw/zinc/50/10/67/395501067.db2.gz OZDOBWDCBMONDZ-NNNHXZLVSA-N 0 1 291.376 2.906 20 30 CFEDMN CN(CC(=O)Nc1cccc(C#N)c1)C1CC(C)(C)C1 ZINC000395388240 397554426 /nfs/dbraw/zinc/55/44/26/397554426.db2.gz WBTKSAZIJQZTEC-UHFFFAOYSA-N 0 1 271.364 2.617 20 30 CFEDMN O=C(Nc1nc(-c2ccccn2)n[nH]1)c1ccccc1 ZINC000047343296 397585307 /nfs/dbraw/zinc/58/53/07/397585307.db2.gz LDGAAMMSVIUSAT-UHFFFAOYSA-N 0 1 265.276 2.503 20 30 CFEDMN C[C@@H]1CN(CC#Cc2ccc(Cl)cc2)CCCO1 ZINC000177108528 397607972 /nfs/dbraw/zinc/60/79/72/397607972.db2.gz DYICUMIGOKJSQI-CYBMUJFWSA-N 0 1 263.768 2.802 20 30 CFEDMN CN(Cc1cc(C(C)(C)C)[nH]n1)c1ccnc(C#N)c1 ZINC000343054478 154098283 /nfs/dbraw/zinc/09/82/83/154098283.db2.gz PLWDIAMTLGNTMT-UHFFFAOYSA-N 0 1 269.352 2.610 20 30 CFEDMN N#Cc1cccc(C#N)c1NCCc1ccc2cn[nH]c2c1 ZINC000343079317 154106384 /nfs/dbraw/zinc/10/63/84/154106384.db2.gz OEZOXXPXZZXYMO-UHFFFAOYSA-N 0 1 287.326 2.961 20 30 CFEDMN Cc1cc(N(C)Cc2cc(C(C)(C)C)[nH]n2)cc(C#N)n1 ZINC000343093317 154110486 /nfs/dbraw/zinc/11/04/86/154110486.db2.gz HTCOVAIQWVSBPN-UHFFFAOYSA-N 0 1 283.379 2.919 20 30 CFEDMN CCN(CCNc1cc(C#N)ccn1)CCC(F)(F)F ZINC000343202531 154141731 /nfs/dbraw/zinc/14/17/31/154141731.db2.gz FGQKLQVUIAKQFW-UHFFFAOYSA-N 0 1 286.301 2.639 20 30 CFEDMN N#Cc1ccc(C(=O)Nc2cc(Cl)c(O)cc2F)cn1 ZINC000345630888 154224071 /nfs/dbraw/zinc/22/40/71/154224071.db2.gz LLCQYSYIPAVRSQ-UHFFFAOYSA-N 0 1 291.669 2.704 20 30 CFEDMN N#Cc1cc(CN2CCCC[C@@H]2Cn2cccn2)ccc1F ZINC000362822998 156093552 /nfs/dbraw/zinc/09/35/52/156093552.db2.gz OAHOBFBGZZCULK-MRXNPFEDSA-N 0 1 298.365 2.949 20 30 CFEDMN N#Cc1cccc(CN2CCCC[C@@H]2CN2CCCC2=O)c1 ZINC000363521713 156177688 /nfs/dbraw/zinc/17/76/88/156177688.db2.gz KNWPEQGVFFPUNE-QGZVFWFLSA-N 0 1 297.402 2.535 20 30 CFEDMN C=CC[C@@H]1CCCC[C@@H]1NC(=O)NCc1cn[nH]c1C ZINC000663690124 413321325 /nfs/dbraw/zinc/32/13/25/413321325.db2.gz QDHLULPBAVVNMK-OCCSQVGLSA-N 0 1 276.384 2.652 20 30 CFEDMN CO[C@H]1CCC[N@@H+](Cc2ccc(C#N)cc2F)CC1 ZINC000374690564 157151043 /nfs/dbraw/zinc/15/10/43/157151043.db2.gz AIXUQSDZZOFLLT-AWEZNQCLSA-N 0 1 262.328 2.698 20 30 CFEDMN CC(=O)N1CCC[C@H]1[C@H]1CCCN1Cc1ccccc1C#N ZINC000375787881 157284215 /nfs/dbraw/zinc/28/42/15/157284215.db2.gz HNQWMQVKLCUXCG-MSOLQXFVSA-N 0 1 297.402 2.534 20 30 CFEDMN Cc1[nH]ncc1C1CCN(C(=O)c2cccc(C#N)c2)CC1 ZINC000375952371 157307656 /nfs/dbraw/zinc/30/76/56/157307656.db2.gz CPLKTUFCFRCSEH-UHFFFAOYSA-N 0 1 294.358 2.610 20 30 CFEDMN C=CCCn1cc(CN2C3CCCC2CCC3)nn1 ZINC000653559703 413369317 /nfs/dbraw/zinc/36/93/17/413369317.db2.gz OWNGLWWSBIJDRY-UHFFFAOYSA-N 0 1 260.385 2.761 20 30 CFEDMN C=CCCn1cc(CN2CC[C@@H](C(C)(C)C)C2)nn1 ZINC000653613512 413404344 /nfs/dbraw/zinc/40/43/44/413404344.db2.gz ONKLTJOSRPBMFE-CYBMUJFWSA-N 0 1 262.401 2.722 20 30 CFEDMN C=CCCn1cc(CN2C[C@H](C)CC(C)(C)C2)nn1 ZINC000653612866 413405634 /nfs/dbraw/zinc/40/56/34/413405634.db2.gz JZEZDPKPXFJQOI-CYBMUJFWSA-N 0 1 262.401 2.722 20 30 CFEDMN N#Cc1csc(CN[C@@H](CO)c2cccc(F)c2)c1 ZINC000344340133 162015968 /nfs/dbraw/zinc/01/59/68/162015968.db2.gz KUKRLCQHXUPLQD-AWEZNQCLSA-N 0 1 276.336 2.582 20 30 CFEDMN N#Cc1csc(CN[C@@H](CO)c2ccc(F)cc2)c1 ZINC000344376763 162030478 /nfs/dbraw/zinc/03/04/78/162030478.db2.gz GPMHKXLOGDLQRM-AWEZNQCLSA-N 0 1 276.336 2.582 20 30 CFEDMN N#Cc1cc(C(=O)Nc2cc(Cl)c(O)cc2F)ccn1 ZINC000345613368 162264145 /nfs/dbraw/zinc/26/41/45/162264145.db2.gz AHMVOBTZQXFGJX-UHFFFAOYSA-N 0 1 291.669 2.704 20 30 CFEDMN Cc1cccc2nc(CNC(=O)c3ccc(C#N)s3)[nH]c21 ZINC000345857910 162265377 /nfs/dbraw/zinc/26/53/77/162265377.db2.gz XVAJYTVGNPSLTQ-UHFFFAOYSA-N 0 1 296.355 2.735 20 30 CFEDMN Cc1cccc2nc(CNC(=O)c3cc(C#N)cs3)[nH]c21 ZINC000345960142 162287225 /nfs/dbraw/zinc/28/72/25/162287225.db2.gz OWORNULJAXIHBO-UHFFFAOYSA-N 0 1 296.355 2.735 20 30 CFEDMN CCc1nn(C)cc1CN[C@H](C)c1ccc(C#N)c(F)c1 ZINC000346126778 162323425 /nfs/dbraw/zinc/32/34/25/162323425.db2.gz GVNPNJQQTXEWRP-LLVKDONJSA-N 0 1 286.354 2.844 20 30 CFEDMN C=CCCn1cc(CN(C2CCC2)C2CCC2)nn1 ZINC000653695908 413450890 /nfs/dbraw/zinc/45/08/90/413450890.db2.gz DMXXOIBUFGZSEI-UHFFFAOYSA-N 0 1 260.385 2.761 20 30 CFEDMN N#Cc1csc(CN[C@H]2C[C@H]2Cc2ccccc2)n1 ZINC000352809046 163238577 /nfs/dbraw/zinc/23/85/77/163238577.db2.gz FOZGYKDIDRALFM-OCCSQVGLSA-N 0 1 269.373 2.736 20 30 CFEDMN C[C@@H](NCc1nc(C#N)cs1)[C@@H]1COc2ccccc21 ZINC000352820413 163242909 /nfs/dbraw/zinc/24/29/09/163242909.db2.gz CTVJEEWHZBPUAY-MFKMUULPSA-N 0 1 285.372 2.669 20 30 CFEDMN Cc1csc(CCCCNCc2nc(C#N)cs2)n1 ZINC000352825421 163243125 /nfs/dbraw/zinc/24/31/25/163243125.db2.gz SNCJWIGNBUKWHH-UHFFFAOYSA-N 0 1 292.433 2.892 20 30 CFEDMN C[C@@H](CNCc1nc(C#N)cs1)Oc1ccccc1F ZINC000352844735 163251151 /nfs/dbraw/zinc/25/11/51/163251151.db2.gz QVFCNRKOFIODLY-JTQLQIEISA-N 0 1 291.351 2.711 20 30 CFEDMN N#Cc1ccccc1CN1CC[C@@H](COC(F)F)C1 ZINC000353023579 163290647 /nfs/dbraw/zinc/29/06/47/163290647.db2.gz NMDYUSUFTSJNPZ-LLVKDONJSA-N 0 1 266.291 2.619 20 30 CFEDMN COc1cc(CNCc2cnn3ccccc23)ccc1C#N ZINC000353036527 163292107 /nfs/dbraw/zinc/29/21/07/163292107.db2.gz RMVYBCUTSFYRQV-UHFFFAOYSA-N 0 1 292.342 2.504 20 30 CFEDMN N#Cc1ccc(CNCc2ccc3cc[nH]c3n2)s1 ZINC000353223272 163319415 /nfs/dbraw/zinc/31/94/15/163319415.db2.gz SHKWBWSUDDFZQB-UHFFFAOYSA-N 0 1 268.345 2.786 20 30 CFEDMN COc1cc(CNCc2cn(C(C)C)nc2C)ccc1C#N ZINC000353226743 163321762 /nfs/dbraw/zinc/32/17/62/163321762.db2.gz OCYLTBNFPZARQI-UHFFFAOYSA-N 0 1 298.390 2.943 20 30 CFEDMN N#Cc1ccc2c(c1)[C@@H](NCc1cnn3ccccc13)CC2 ZINC000353657933 163419650 /nfs/dbraw/zinc/41/96/50/163419650.db2.gz JWHCNIBLOZEGOL-KRWDZBQOSA-N 0 1 288.354 2.983 20 30 CFEDMN CC[C@@H](NCc1cc(C)nn1C)c1ccc(C#N)cc1 ZINC000284331522 196032658 /nfs/dbraw/zinc/03/26/58/196032658.db2.gz MGYFZQFKTSGDRE-MRXNPFEDSA-N 0 1 268.364 2.841 20 30 CFEDMN N#Cc1ccc(CN2CCC3(CCOCC3)CC2)o1 ZINC000284859539 196146075 /nfs/dbraw/zinc/14/60/75/196146075.db2.gz DBTKVPCOSLKJTD-UHFFFAOYSA-N 0 1 260.337 2.544 20 30 CFEDMN C=CCCn1cc(CNCCc2ccc(F)cc2C)nn1 ZINC000657396300 413551460 /nfs/dbraw/zinc/55/14/60/413551460.db2.gz JGNQKWLDZBDENH-UHFFFAOYSA-N 0 1 288.370 2.634 20 30 CFEDMN C=CC[C@@H]1CCCC[C@@H]1NC(=O)N[C@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000660858007 413618863 /nfs/dbraw/zinc/61/88/63/413618863.db2.gz AMAAJMCWTSLZCU-WCVJEAGWSA-N 0 1 293.455 2.903 20 30 CFEDMN C#CCOc1ccc(CN[C@H](c2nccn2C)C2CC2)cc1 ZINC000285457680 196289818 /nfs/dbraw/zinc/28/98/18/196289818.db2.gz JODANVNTHOHCDS-KRWDZBQOSA-N 0 1 295.386 2.673 20 30 CFEDMN C=CC[N@H+](CCN(C)c1ccccc1)[C@H](C)COC ZINC000661241746 413845166 /nfs/dbraw/zinc/84/51/66/413845166.db2.gz AXDXOSXEZTZFGU-OAHLLOKOSA-N 0 1 262.397 2.646 20 30 CFEDMN C=CCC1(CNC(=O)N[C@@H]2CCC[N@H+](C)C2)CCCC1 ZINC000652417848 413933959 /nfs/dbraw/zinc/93/39/59/413933959.db2.gz IWUWBUPLGYERIN-CQSZACIVSA-N 0 1 279.428 2.516 20 30 CFEDMN C=C[C@@H](C(=O)[O-])[N@@H+](CC)Cc1c[nH]c2ccccc12 ZINC000652444585 413952787 /nfs/dbraw/zinc/95/27/87/413952787.db2.gz DPQYJFRNKXGLTQ-AWEZNQCLSA-N 0 1 258.321 2.629 20 30 CFEDMN C=CCCCC[N@@H+]1Cc2ccccc2C[C@H]1C(=O)[O-] ZINC000652452174 413960689 /nfs/dbraw/zinc/96/06/89/413960689.db2.gz AWUXPEGNHVPGSI-HNNXBMFYSA-N 0 1 259.349 2.854 20 30 CFEDMN C=C(C)C(C)(C)C(=O)N1CCN(C(C)(C)CC)CC1 ZINC000655269559 414165003 /nfs/dbraw/zinc/16/50/03/414165003.db2.gz PRCQGTIJFBLYGY-UHFFFAOYSA-N 0 1 266.429 2.922 20 30 CFEDMN C=CCOCCN[C@@H](CO)c1cccc(Cl)c1Cl ZINC000662052486 414387392 /nfs/dbraw/zinc/38/73/92/414387392.db2.gz RTUHUHHPKRNUDX-LBPRGKRZSA-N 0 1 290.190 2.819 20 30 CFEDMN C=CCCC1(CNC(=O)c2ccnc(CN)c2)CCCC1 ZINC000659334202 414502862 /nfs/dbraw/zinc/50/28/62/414502862.db2.gz FYXVFEAPQJFYGZ-UHFFFAOYSA-N 0 1 287.407 2.797 20 30 CFEDMN C=C1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1cc(C(=O)[O-])oc1C ZINC000659802615 414561766 /nfs/dbraw/zinc/56/17/66/414561766.db2.gz ZVEFDYQDVVJDRK-BETUJISGSA-N 0 1 261.321 2.969 20 30 CFEDMN C=CCCCCCNC(=O)[C@@](C)(N)c1ccccc1 ZINC000575136613 335071554 /nfs/dbraw/zinc/07/15/54/335071554.db2.gz DZKNBLGGPZLBRP-INIZCTEOSA-N 0 1 260.381 2.723 20 30 CFEDMN CCn1cc([C@H](C)NCc2cccc(C#N)c2)cn1 ZINC000044499028 175184887 /nfs/dbraw/zinc/18/48/87/175184887.db2.gz UYHJEDMIUPNNRI-LBPRGKRZSA-N 0 1 254.337 2.625 20 30 CFEDMN N#CCc1ccccc1NC(=O)c1ccc2cncn2c1 ZINC000344333001 225032811 /nfs/dbraw/zinc/03/28/11/225032811.db2.gz DRHGNISXZLYYQR-UHFFFAOYSA-N 0 1 276.299 2.653 20 30 CFEDMN N#CCCCN(Cc1cccs1)[C@H]1C=C[C@H](CO)C1 ZINC000347321884 226131497 /nfs/dbraw/zinc/13/14/97/226131497.db2.gz AUQSBFAXQUUYRW-KBPBESRZSA-N 0 1 276.405 2.791 20 30 CFEDMN CCn1c(C(O)=C(C#N)c2ccncn2)cc2ccccc21 ZINC000354472676 227007688 /nfs/dbraw/zinc/00/76/88/227007688.db2.gz PHCRZFPCQGGSAA-CYBMUJFWSA-N 0 1 290.326 2.941 20 30 CFEDMN Cc1nnsc1CNC(=O)[C@H]1CCCN1C1CCCC1 ZINC000329102718 227297797 /nfs/dbraw/zinc/29/77/97/227297797.db2.gz FRSOLORRHXNHIK-GFCCVEGCSA-N 0 1 294.424 2.710 20 30 CFEDMN O=C(N[C@@H](CO)c1ccsc1)[C@@H]1CCCc2[nH]ncc21 ZINC000329999468 228011725 /nfs/dbraw/zinc/01/17/25/228011725.db2.gz UUUUKAQEUVMWLF-MFKMUULPSA-N 0 1 291.376 2.581 20 30 CFEDMN C[C@H](NC(=O)[C@@H]1CCCC[N@@H+]1C1CCCC1)c1nnc[nH]1 ZINC000330297936 228105875 /nfs/dbraw/zinc/10/58/75/228105875.db2.gz LGQMVUVXGXKZMX-AAEUAGOBSA-N 0 1 291.399 2.619 20 30 CFEDMN C[C@H](NC(=O)[C@@H]1CCCC[N@H+]1C1CCCC1)c1nnc[nH]1 ZINC000330297936 228105878 /nfs/dbraw/zinc/10/58/78/228105878.db2.gz LGQMVUVXGXKZMX-AAEUAGOBSA-N 0 1 291.399 2.619 20 30 CFEDMN C[C@H](NC(=O)[C@@H]1CCCC[N@@H+]1C1CCCC1)c1nnc[n-]1 ZINC000330297936 228105881 /nfs/dbraw/zinc/10/58/81/228105881.db2.gz LGQMVUVXGXKZMX-AAEUAGOBSA-N 0 1 291.399 2.619 20 30 CFEDMN C[C@H](NC(=O)[C@@H]1CCCC[N@H+]1C1CCCC1)c1nnc[n-]1 ZINC000330297936 228105884 /nfs/dbraw/zinc/10/58/84/228105884.db2.gz LGQMVUVXGXKZMX-AAEUAGOBSA-N 0 1 291.399 2.619 20 30 CFEDMN O=C(NC[C@H](O)C1CCCCC1)[C@H]1CCCN1C1CC1 ZINC000330212740 228068021 /nfs/dbraw/zinc/06/80/21/228068021.db2.gz DVCNKKKORYISPE-CABCVRRESA-N 0 1 280.412 2.511 20 30 CFEDMN COC1CC(N(C)CC#Cc2ccccc2Cl)C1 ZINC000352195542 228195207 /nfs/dbraw/zinc/19/52/07/228195207.db2.gz RMHODDNYEOPGNG-UHFFFAOYSA-N 0 1 263.768 2.801 20 30 CFEDMN C=CCN(CCc1ccco1)Cc1cc(C)nc(C)n1 ZINC000660223439 420503516 /nfs/dbraw/zinc/50/35/16/420503516.db2.gz CWPOUXNSALZTPZ-UHFFFAOYSA-N 0 1 271.364 2.917 20 30 CFEDMN Cc1ccc(-c2n[nH]c(NC(=O)COCC3CC3)n2)cc1 ZINC000060614831 260231163 /nfs/dbraw/zinc/23/11/63/260231163.db2.gz QQRURHWYDIXVCC-UHFFFAOYSA-N 0 1 286.335 2.795 20 30 CFEDMN N#CCCN1CCC[C@H](c2nc(C3CCCCC3)n[nH]2)C1 ZINC000408129591 260271462 /nfs/dbraw/zinc/27/14/62/260271462.db2.gz ATJUGQBBGMIJIS-AWEZNQCLSA-N 0 1 287.411 2.945 20 30 CFEDMN N#CCCN1CCC[C@H](c2n[nH]c(C3CCCCC3)n2)C1 ZINC000408129591 260271464 /nfs/dbraw/zinc/27/14/64/260271464.db2.gz ATJUGQBBGMIJIS-AWEZNQCLSA-N 0 1 287.411 2.945 20 30 CFEDMN C=C(CC)CNCc1c(Br)c(C)nn1C ZINC000313505606 260299766 /nfs/dbraw/zinc/29/97/66/260299766.db2.gz YMQYXNDAXLQZOO-UHFFFAOYSA-N 0 1 272.190 2.547 20 30 CFEDMN Cc1nnc(NC(=O)[C@@H]2CSc3ccccc32)[nH]1 ZINC000083774587 260356169 /nfs/dbraw/zinc/35/61/69/260356169.db2.gz UTJFJOKXTARQRW-SECBINFHSA-N 0 1 260.322 2.591 20 30 CFEDMN CC(C)C(N)=NOCc1cc(-c2ccccc2)on1 ZINC000133646061 260907139 /nfs/dbraw/zinc/90/71/39/260907139.db2.gz UQTNFJHHYSEONS-UHFFFAOYSA-N 0 1 259.309 2.786 20 30 CFEDMN CC[C@@H](CC#N)NC(=O)[C@H](c1ccccc1)N(CC)CC ZINC000183964343 262002921 /nfs/dbraw/zinc/00/29/21/262002921.db2.gz JCLLQVGHXMAAIC-HOTGVXAUSA-N 0 1 287.407 2.878 20 30 CFEDMN CCCOc1ccc(CN[C@H](CC)CC#N)c(O)c1 ZINC000184095024 262009209 /nfs/dbraw/zinc/00/92/09/262009209.db2.gz GXJCWQHWFAEGMF-CYBMUJFWSA-N 0 1 262.353 2.963 20 30 CFEDMN N#CCc1ccc(NC(=O)c2cn[nH]c2C2CC2)cc1 ZINC000184192837 262012089 /nfs/dbraw/zinc/01/20/89/262012089.db2.gz OWLBPKHFEPAKQT-UHFFFAOYSA-N 0 1 266.304 2.605 20 30 CFEDMN COc1ccc2c(c1)nc(CN[C@@H]1CCC[C@@H](C#N)C1)n2C ZINC000193301198 262219932 /nfs/dbraw/zinc/21/99/32/262219932.db2.gz IEHGNUHMASKXPT-CHWSQXEVSA-N 0 1 298.390 2.754 20 30 CFEDMN COc1ccc2c(c1)nc(CN[C@H]1CCC[C@@H](C#N)C1)n2C ZINC000193301209 262219939 /nfs/dbraw/zinc/21/99/39/262219939.db2.gz IEHGNUHMASKXPT-OLZOCXBDSA-N 0 1 298.390 2.754 20 30 CFEDMN C=C(C)CN(CC)C(=O)[C@H](C)[N@@H+](C)CC1CCC1 ZINC000111296495 262260230 /nfs/dbraw/zinc/26/02/30/262260230.db2.gz OBPHNNOVMKVFSE-ZDUSSCGKSA-N 0 1 252.402 2.531 20 30 CFEDMN C=CC[C@@H](CO)NCc1csc(-c2ccc(F)cc2)n1 ZINC000184272189 262275335 /nfs/dbraw/zinc/27/53/35/262275335.db2.gz PQWIESLGXUMXNS-ZDUSSCGKSA-N 0 1 292.379 2.976 20 30 CFEDMN N#C[C@@H]1CCC[C@H](N[C@@H](c2nnc[nH]2)c2ccccc2)C1 ZINC000365150918 262280569 /nfs/dbraw/zinc/28/05/69/262280569.db2.gz SQYYJWRNCPKHFC-VHDGCEQUSA-N 0 1 281.363 2.566 20 30 CFEDMN C=CC1CCN(C(=O)N[C@H](C)C[N@H+]2CCC[C@@H](C)C2)CC1 ZINC000111838600 262377521 /nfs/dbraw/zinc/37/75/21/262377521.db2.gz FHCYEOKBJIQRRJ-HUUCEWRRSA-N 0 1 293.455 2.714 20 30 CFEDMN C=CCC[N@@H+]1C[C@H](C2CCCCC2)C[C@H]1C(=O)[O-] ZINC000518797669 262388814 /nfs/dbraw/zinc/38/88/14/262388814.db2.gz GCPVKSPIFXWIJO-KGLIPLIRSA-N 0 1 251.370 2.918 20 30 CFEDMN CC(C)(C#N)CCCN1CCN(Cc2cscn2)CC1 ZINC000336824571 262398398 /nfs/dbraw/zinc/39/83/98/262398398.db2.gz VGDYTYKYBDJJAE-UHFFFAOYSA-N 0 1 292.452 2.591 20 30 CFEDMN CC1(C)CCCN(Cc2cc(O)ccc2[N+](=O)[O-])[C@@H]1C#N ZINC000339128072 262601174 /nfs/dbraw/zinc/60/11/74/262601174.db2.gz OWQKQQHBCZBSED-CQSZACIVSA-N 0 1 289.335 2.815 20 30 CFEDMN C=CC[C@H](Cc1ccccc1)NC(=O)c1[nH]nc2c1CCC2 ZINC000412840027 262744234 /nfs/dbraw/zinc/74/42/34/262744234.db2.gz NAEYOUJGQSOMDY-CQSZACIVSA-N 0 1 295.386 2.816 20 30 CFEDMN Cc1ccc(-c2cc(C(=O)N(C)[C@@H](C)CC#N)n[nH]2)cc1 ZINC000264020170 262858401 /nfs/dbraw/zinc/85/84/01/262858401.db2.gz GCTHJMFAAJFGHI-LBPRGKRZSA-N 0 1 282.347 2.759 20 30 CFEDMN CN(CCC#N)c1ccc(CN2CCO[C@H]3CCC[C@H]32)cc1 ZINC000271109926 262993030 /nfs/dbraw/zinc/99/30/30/262993030.db2.gz CUHIMKSEEXWWHE-MSOLQXFVSA-N 0 1 299.418 2.790 20 30 CFEDMN CN(CCC(C)(C)C#N)Cc1ccc([S@](C)=O)cc1 ZINC000272036316 263001394 /nfs/dbraw/zinc/00/13/94/263001394.db2.gz QCHGPNOYAWUWIH-IBGZPJMESA-N 0 1 278.421 2.796 20 30 CFEDMN N#CCCCNCc1ccc([N+](=O)[O-])cc1Cl ZINC000273095121 263012484 /nfs/dbraw/zinc/01/24/84/263012484.db2.gz UJEMNBOGWLXAHL-UHFFFAOYSA-N 0 1 253.689 2.642 20 30 CFEDMN N#C[C@]1(c2nc(C3(N)CCCC3)no2)CC12CCCC2 ZINC000414627146 263015698 /nfs/dbraw/zinc/01/56/98/263015698.db2.gz LBKRHFXANMUDOL-AWEZNQCLSA-N 0 1 272.352 2.523 20 30 CFEDMN CN(CCC#N)[C@@H]1CCO[C@@H](c2ccc(F)cc2)C1 ZINC000273368409 263016148 /nfs/dbraw/zinc/01/61/48/263016148.db2.gz BPJRREDNAGWEKJ-HUUCEWRRSA-N 0 1 262.328 2.891 20 30 CFEDMN C=CCOc1ccc(Cc2nc(C3(N)CCC3)no2)cc1 ZINC000414631024 263017465 /nfs/dbraw/zinc/01/74/65/263017465.db2.gz VYJQXCGHVVRIBW-UHFFFAOYSA-N 0 1 285.347 2.563 20 30 CFEDMN CN1c2ccc(CN3CCC(C)(C#N)CC3)cc2CCC1=O ZINC000274882523 263031401 /nfs/dbraw/zinc/03/14/01/263031401.db2.gz ZVZFJRZGCODPAJ-UHFFFAOYSA-N 0 1 297.402 2.721 20 30 CFEDMN C=C(CC)CNS(=O)(=O)c1c(Cl)ccc(F)c1F ZINC000452047727 263032855 /nfs/dbraw/zinc/03/28/55/263032855.db2.gz ZLWLYZLRRGQTLC-UHFFFAOYSA-N 0 1 295.738 2.863 20 30 CFEDMN Cc1cc2[nH]ncc2cc1NC(=O)C1(C#N)CCCC1 ZINC000276703103 263037921 /nfs/dbraw/zinc/03/79/21/263037921.db2.gz KVKRTUBOYUSVDO-UHFFFAOYSA-N 0 1 268.320 2.894 20 30 CFEDMN CN(C)c1ccc(C(N)=NOCCCCCF)cc1 ZINC000284418518 263086779 /nfs/dbraw/zinc/08/67/79/263086779.db2.gz OBEQPOPJARUPSU-UHFFFAOYSA-N 0 1 267.348 2.529 20 30 CFEDMN N#CCCCC(=O)NC[C@H](c1ccco1)N1CCCCC1 ZINC000291054710 263119602 /nfs/dbraw/zinc/11/96/02/263119602.db2.gz ZTSIMJAWZVVIOF-CQSZACIVSA-N 0 1 289.379 2.617 20 30 CFEDMN N#CCCOCCSc1nc(-c2ccccc2F)n[nH]1 ZINC000292644895 263133420 /nfs/dbraw/zinc/13/34/20/263133420.db2.gz JRCMRHPJRBHQKM-UHFFFAOYSA-N 0 1 292.339 2.633 20 30 CFEDMN N#CCCN(CCC#N)Cc1cc(Cl)c(F)cc1O ZINC000293697925 263147487 /nfs/dbraw/zinc/14/74/87/263147487.db2.gz SWGBAZOOXZUHAJ-UHFFFAOYSA-N 0 1 281.718 2.814 20 30 CFEDMN C[C@](C#N)(NC(=O)CN1CCC[C@H]1c1ccccc1)C1CC1 ZINC000294152241 263156760 /nfs/dbraw/zinc/15/67/60/263156760.db2.gz ACYFMACRBOZWBU-FUHWJXTLSA-N 0 1 297.402 2.632 20 30 CFEDMN Cc1ccccc1N1CCN([C@H](C)CCC#N)CC1 ZINC000297919775 263212039 /nfs/dbraw/zinc/21/20/39/263212039.db2.gz QHTPPFDDVGXSPH-OAHLLOKOSA-N 0 1 257.381 2.809 20 30 CFEDMN C#CCCCCC(=O)NC[C@H](C)N1CCc2ccccc2C1 ZINC000119573093 263275863 /nfs/dbraw/zinc/27/58/63/263275863.db2.gz IZXCQYOESYFWTC-INIZCTEOSA-N 0 1 298.430 2.743 20 30 CFEDMN N#CCC[C@H](Nc1ncnc2[nH]cnc21)c1ccccc1 ZINC000164315573 263279147 /nfs/dbraw/zinc/27/91/47/263279147.db2.gz VBSUAIHCAIIWAK-LBPRGKRZSA-N 0 1 278.319 2.810 20 30 CFEDMN CC#CCN(C)C(=O)[C@H](c1ccccc1)N(CC)CC ZINC000341065215 263320464 /nfs/dbraw/zinc/32/04/64/263320464.db2.gz FMXFMYYZTXSZJY-INIZCTEOSA-N 0 1 272.392 2.551 20 30 CFEDMN C=C(C)CN(CC)C(=O)CN[C@@H](C)c1cccc(OC)c1 ZINC000341207218 263326099 /nfs/dbraw/zinc/32/60/99/263326099.db2.gz JSMZYFRYWNVCDF-AWEZNQCLSA-N 0 1 290.407 2.770 20 30 CFEDMN COCC1(C#N)CCN(Cc2cccs2)CC1 ZINC000342000369 263374782 /nfs/dbraw/zinc/37/47/82/263374782.db2.gz WHZNUMLGSGVJMZ-UHFFFAOYSA-N 0 1 250.367 2.500 20 30 CFEDMN CC(C)C[C@@H](N)c1noc(C2(C#N)CCCCC2)n1 ZINC000342031364 263385893 /nfs/dbraw/zinc/38/58/93/263385893.db2.gz WWWZSZARMTYABN-LLVKDONJSA-N 0 1 262.357 2.841 20 30 CFEDMN CC(C)(C)c1n[nH]cc1CN1CCC(C)(C#N)CC1 ZINC000334330997 263585048 /nfs/dbraw/zinc/58/50/48/263585048.db2.gz OZWLJSUJDSMVHY-UHFFFAOYSA-N 0 1 260.385 2.833 20 30 CFEDMN O=C(NC1CCC(F)(F)CC1)N[C@@H]1CCCc2cn[nH]c21 ZINC000328859122 263881969 /nfs/dbraw/zinc/88/19/69/263881969.db2.gz DSIKNUMSRASTHW-LLVKDONJSA-N 0 1 298.337 2.869 20 30 CFEDMN Cc1nc(CC(C)C)sc1C(=O)N[C@@H](C)c1nnc[nH]1 ZINC000330635567 264001544 /nfs/dbraw/zinc/00/15/44/264001544.db2.gz MUEXVSFSRVIUBL-VIFPVBQESA-N 0 1 293.396 2.834 20 30 CFEDMN Cc1cnc(C(=O)Nc2cnn(C(C)(C)C)c2)c(O)c1 ZINC000330863870 264057413 /nfs/dbraw/zinc/05/74/13/264057413.db2.gz AZLAUCHIGUWJRP-UHFFFAOYSA-N 0 1 274.324 2.683 20 30 CFEDMN CCC[N@@H+]1CCC[C@H]1CNC(=O)c1ccc([O-])cc1F ZINC000331242387 264177239 /nfs/dbraw/zinc/17/72/39/264177239.db2.gz QZOZSEQZYJEPMK-NSHDSACASA-N 0 1 280.343 2.710 20 30 CFEDMN CCC[N@H+]1CCC[C@H]1CNC(=O)c1ccc([O-])cc1F ZINC000331242387 264177241 /nfs/dbraw/zinc/17/72/41/264177241.db2.gz QZOZSEQZYJEPMK-NSHDSACASA-N 0 1 280.343 2.710 20 30 CFEDMN Cc1cccc([C@H](C)NC(=O)N(C)Cc2nnc[nH]2)c1C ZINC000331359008 264209079 /nfs/dbraw/zinc/20/90/79/264209079.db2.gz VXKQLVVNMQMSTN-LBPRGKRZSA-N 0 1 287.367 2.529 20 30 CFEDMN CN(CC#Cc1ccc(OC(F)(F)F)cc1)[C@H]1CCOC1 ZINC000160068610 264223474 /nfs/dbraw/zinc/22/34/74/264223474.db2.gz RZYHFRIDAOPLFI-ZDUSSCGKSA-N 0 1 299.292 2.657 20 30 CFEDMN C=C(C)CN(Cc1ccc(CO)o1)C[C@H](OC)C1CC1 ZINC000425460487 264333222 /nfs/dbraw/zinc/33/32/22/264333222.db2.gz SDOBSTDPCDCPGQ-INIZCTEOSA-N 0 1 279.380 2.575 20 30 CFEDMN C=CCNC(=O)CN(C)[C@@H](C)Cc1ccc(Cl)cc1 ZINC000076733276 264343057 /nfs/dbraw/zinc/34/30/57/264343057.db2.gz ZMFUJAHOWSMBRB-LBPRGKRZSA-N 0 1 280.799 2.505 20 30 CFEDMN C=CCOc1ccc(C[N@@H+]2CC[C@@H](C(=O)OC)[C@@H]2C)cc1 ZINC000347276481 265127257 /nfs/dbraw/zinc/12/72/57/265127257.db2.gz LDUQINUHLRDQDK-XJKSGUPXSA-N 0 1 289.375 2.635 20 30 CFEDMN C=C(C)CN(CC)[C@H]1CCCN(c2ccc(C#N)cc2)C1=O ZINC000182629464 265559065 /nfs/dbraw/zinc/55/90/65/265559065.db2.gz XOSPHWAVWGUQSI-KRWDZBQOSA-N 0 1 297.402 2.952 20 30 CFEDMN C=CCCC1(C(=O)N[C@H](C)c2n[nH]c(C(C)C)n2)CC1 ZINC000356596574 266145175 /nfs/dbraw/zinc/14/51/75/266145175.db2.gz MTNCZGPECWMFFS-LLVKDONJSA-N 0 1 276.384 2.852 20 30 CFEDMN CCC(CC)C[N@H+](CCC#N)CCCc1nc(C)no1 ZINC000357723208 266351518 /nfs/dbraw/zinc/35/15/18/266351518.db2.gz AIQJFUBNVDUFTK-UHFFFAOYSA-N 0 1 278.400 2.963 20 30 CFEDMN CCC(CC)CN(CCC#N)CCCc1nc(C)no1 ZINC000357723208 266351521 /nfs/dbraw/zinc/35/15/21/266351521.db2.gz AIQJFUBNVDUFTK-UHFFFAOYSA-N 0 1 278.400 2.963 20 30 CFEDMN CC(C)c1nnc(-c2ccccc2NC(=O)[C@@H](C)C#N)[nH]1 ZINC000357807896 266369521 /nfs/dbraw/zinc/36/95/21/266369521.db2.gz MOBBXWRFSDOMLS-JTQLQIEISA-N 0 1 283.335 2.693 20 30 CFEDMN C=CCN(CC=C)C(=O)CN(C)Cc1cccc(C)c1C ZINC000357970206 266391642 /nfs/dbraw/zinc/39/16/42/266391642.db2.gz BJHCONZLBZLSAF-UHFFFAOYSA-N 0 1 286.419 2.936 20 30 CFEDMN COc1cc(CNCc2cccc(F)c2)ccc1C#N ZINC000234928053 266827113 /nfs/dbraw/zinc/82/71/13/266827113.db2.gz DQNPWFSIFDYIFY-UHFFFAOYSA-N 0 1 270.307 2.996 20 30 CFEDMN C=C[C@@H](C)NC(=O)c1n[nH]c2ccc(Br)cc21 ZINC000362589873 267014319 /nfs/dbraw/zinc/01/43/19/267014319.db2.gz ASVLAUBWIOAIAQ-SSDOTTSWSA-N 0 1 294.152 2.630 20 30 CFEDMN CC(C)(O)CCN1CCC[C@H]1[C@@H](C#N)c1ccccc1 ZINC000362860206 267055032 /nfs/dbraw/zinc/05/50/32/267055032.db2.gz RNZADUZMJPVWPV-HOTGVXAUSA-N 0 1 272.392 2.919 20 30 CFEDMN C[C@@H]1CN(c2cccc(C#N)n2)CCN1Cc1ccccc1 ZINC000396421380 267062824 /nfs/dbraw/zinc/06/28/24/267062824.db2.gz UVRJPBWAGUKAOO-OAHLLOKOSA-N 0 1 292.386 2.664 20 30 CFEDMN C=CCCCCCN1CCN(C(=O)C(C)C)CC1 ZINC000362954849 267067027 /nfs/dbraw/zinc/06/70/27/267067027.db2.gz NDXBRYBLRMTOSS-UHFFFAOYSA-N 0 1 252.402 2.533 20 30 CFEDMN CCCN1C(=O)N=NC1S[C@@H](C#N)C1CCCCC1 ZINC000115185666 267091544 /nfs/dbraw/zinc/09/15/44/267091544.db2.gz KFXZFRSSQGDRKZ-NSHDSACASA-N 0 1 280.397 2.958 20 30 CFEDMN CC#CCCN1Cc2ccccc2[C@@H](n2cccn2)C1 ZINC000368486709 267176303 /nfs/dbraw/zinc/17/63/03/267176303.db2.gz OVYKJGSMEDCUTE-KRWDZBQOSA-N 0 1 265.360 2.702 20 30 CFEDMN CC[C@H](C)[C@@H](C)NCc1c(C#N)cccc1[N+](=O)[O-] ZINC000459381535 267205029 /nfs/dbraw/zinc/20/50/29/267205029.db2.gz CMMJWVKNKYGQDE-WDEREUQCSA-N 0 1 261.325 2.991 20 30 CFEDMN N#CCCCN1CC=C(c2ccc(C#N)cc2)CC1 ZINC000371335961 267392566 /nfs/dbraw/zinc/39/25/66/267392566.db2.gz OBOLYLRCMWHXHQ-UHFFFAOYSA-N 0 1 251.333 2.951 20 30 CFEDMN CC(C)CN1CCN(c2c(Cl)cccc2C#N)CC1 ZINC000301617014 273513428 /nfs/dbraw/zinc/51/34/28/273513428.db2.gz ALFPJFBQPVXFIK-UHFFFAOYSA-N 0 1 277.799 2.990 20 30 CFEDMN CN(C)[C@@H](CNc1ncc2c(c1C#N)CCC2)c1ccco1 ZINC000425199613 273805601 /nfs/dbraw/zinc/80/56/01/273805601.db2.gz IKLLHRYWIMNVCP-HNNXBMFYSA-N 0 1 296.374 2.750 20 30 CFEDMN COC1CCN(CC#Cc2ccc(Cl)cc2)CC1 ZINC000267338596 274016237 /nfs/dbraw/zinc/01/62/37/274016237.db2.gz DBWUTTVYLCYGOZ-UHFFFAOYSA-N 0 1 263.768 2.802 20 30 CFEDMN CO[C@H]1CCN(CC#Cc2ccc(F)cc2)[C@@H](C)C1 ZINC000281691246 274079899 /nfs/dbraw/zinc/07/98/99/274079899.db2.gz NALSYKHAXPOLNM-BBRMVZONSA-N 0 1 261.340 2.677 20 30 CFEDMN C=C[C@H](CO)N[C@@H](C)c1cc(Cl)ccc1OCC ZINC000289729102 275752337 /nfs/dbraw/zinc/75/23/37/275752337.db2.gz JZRGXQPMRLLEKM-CMPLNLGQSA-N 0 1 269.772 2.936 20 30 CFEDMN CC1(C)CC[C@@H]1N[C@@H](C(N)=O)c1ccc(C#N)cc1 ZINC000332450578 276115949 /nfs/dbraw/zinc/11/59/49/276115949.db2.gz MGIQLBWBLNCJCU-QWHCGFSZSA-N 0 1 257.337 2.913 20 30 CFEDMN CCN(CCc1nccs1)Cc1ccc(C#N)o1 ZINC000093764518 276134693 /nfs/dbraw/zinc/13/46/93/276134693.db2.gz BUSYHXKXSZJSLW-UHFFFAOYSA-N 0 1 261.350 2.672 20 30 CFEDMN CN(C)[C@H](CNc1nc2c(cc1C#N)CCC2)c1ccco1 ZINC000298730035 276867241 /nfs/dbraw/zinc/86/72/41/276867241.db2.gz OFJWNALRKXDHBJ-OAHLLOKOSA-N 0 1 296.374 2.750 20 30 CFEDMN CC(C)(C)c1cn2c(n1)CC[C@@H]([NH+]=C([O-])N1CCCC1)C2 ZINC000329296283 277270251 /nfs/dbraw/zinc/27/02/51/277270251.db2.gz STPDYLNIKPYUSB-GFCCVEGCSA-N 0 1 290.411 2.505 20 30 CFEDMN C[C@@H]1C[C@H](C)N(CC(=O)N(CCC#N)c2ccccc2)C1 ZINC000354204548 278006197 /nfs/dbraw/zinc/00/61/97/278006197.db2.gz FOUCSPVUYLMDOZ-CABCVRRESA-N 0 1 285.391 2.664 20 30 CFEDMN C[C@@H](NCC1(C#N)CC1)c1ccccc1-n1cccn1 ZINC000343581660 278339789 /nfs/dbraw/zinc/33/97/89/278339789.db2.gz MZINDCKXIBOIHO-CYBMUJFWSA-N 0 1 266.348 2.827 20 30 CFEDMN C[C@@H]1[C@H](C)CN(Cc2c(C#N)cccc2[N+](=O)[O-])[C@H]1C ZINC000419351760 279099251 /nfs/dbraw/zinc/09/92/51/279099251.db2.gz JQCIEMRHUFHWNL-UTUOFQBUSA-N 0 1 273.336 2.943 20 30 CFEDMN C[C@H]1SCCN(Cc2ccc(C#N)s2)[C@H]1C ZINC000127804458 280090925 /nfs/dbraw/zinc/09/09/25/280090925.db2.gz RJRIOMXKLSBCGO-VHSXEESVSA-N 0 1 252.408 2.946 20 30 CFEDMN CC[C@@H]1CCCN(C([O-])=[NH+][C@H]2CCn3ccnc3C2)CC1 ZINC000330280404 280274683 /nfs/dbraw/zinc/27/46/83/280274683.db2.gz SIZYAVIIIPTTCR-KGLIPLIRSA-N 0 1 290.411 2.624 20 30 CFEDMN N#Cc1cc(F)ccc1CN[C@@H](CO)C1CCCCC1 ZINC000541055619 281598201 /nfs/dbraw/zinc/59/82/01/281598201.db2.gz VFPWWEBTYQYLDW-INIZCTEOSA-N 0 1 276.355 2.728 20 30 CFEDMN CC(C)N(Cc1cc(C#N)n(C)c1)Cc1ccccn1 ZINC000562318066 282074725 /nfs/dbraw/zinc/07/47/25/282074725.db2.gz PZHAWTNHMLWCBB-UHFFFAOYSA-N 0 1 268.364 2.702 20 30 CFEDMN C[C@H](c1ccc(C#N)cc1)N1CCC(O)(C(F)F)CC1 ZINC000334658144 290218739 /nfs/dbraw/zinc/21/87/39/290218739.db2.gz ZSPZDSRNRJLFFC-LLVKDONJSA-N 0 1 280.318 2.711 20 30 CFEDMN O=C(N[C@@H]1C[C@@H]1C1CCCCC1)[C@H]1CCc2[nH]nnc2C1 ZINC000329060041 295385889 /nfs/dbraw/zinc/38/58/89/295385889.db2.gz YYHJHUWZSCOTRP-OUCADQQQSA-N 0 1 288.395 2.835 20 30 CFEDMN O=C(N[C@@H]1C[C@@H]1C1CCCCC1)[C@H]1CCc2nn[nH]c2C1 ZINC000329060041 295385890 /nfs/dbraw/zinc/38/58/90/295385890.db2.gz YYHJHUWZSCOTRP-OUCADQQQSA-N 0 1 288.395 2.835 20 30 CFEDMN N#Cc1ccc(CN2CCOCC23CCCC3)cc1 ZINC000270597131 303190653 /nfs/dbraw/zinc/19/06/53/303190653.db2.gz GETYRUXVJSOTGZ-UHFFFAOYSA-N 0 1 256.349 2.703 20 30 CFEDMN C=C(C)CCN1CC[C@H]1CN(C)C(=O)c1scnc1C ZINC001085497597 782081408 /nfs/dbraw/zinc/08/14/08/782081408.db2.gz HZKFQIJOMZQILM-ZDUSSCGKSA-N 0 1 293.436 2.564 20 30 CFEDMN C[C@H](c1ccccc1F)N(C)CCOCCC#N ZINC000293395875 328095650 /nfs/dbraw/zinc/09/56/50/328095650.db2.gz HDKPHOPXIDIFEF-GFCCVEGCSA-N 0 1 250.317 2.749 20 30 CFEDMN C[C@@H](Cc1cnc[nH]1)C(=O)N[C@H](CCC#N)c1ccccc1 ZINC000571343449 328113299 /nfs/dbraw/zinc/11/32/99/328113299.db2.gz YYNKTURCBACSMF-XJKSGUPXSA-N 0 1 296.374 2.750 20 30 CFEDMN N#C[C@@H]1CC[C@@H](N2CCN(c3ccccc3)CC2)C1 ZINC000260581929 328131284 /nfs/dbraw/zinc/13/12/84/328131284.db2.gz YZCVMZQUEOYGJW-GDBMZVCRSA-N 0 1 255.365 2.501 20 30 CFEDMN C=CCOc1ccc(CN2CCCc3c(cnn3C)C2)cc1 ZINC000414472106 328184937 /nfs/dbraw/zinc/18/49/37/328184937.db2.gz NOUDWWIYBOBKMF-UHFFFAOYSA-N 0 1 297.402 2.933 20 30 CFEDMN Cn1c(CNCCCC#N)nc2cc(Cl)ccc21 ZINC000273098866 328203963 /nfs/dbraw/zinc/20/39/63/328203963.db2.gz VHDNZCHKSHYTQQ-UHFFFAOYSA-N 0 1 262.744 2.620 20 30 CFEDMN Cc1ccc2nc(CN[C@H]3CCC[C@@H](C#N)C3)cn2c1 ZINC000278395823 328225119 /nfs/dbraw/zinc/22/51/19/328225119.db2.gz FDQIGJKCSDEGBN-KGLIPLIRSA-N 0 1 268.364 2.815 20 30 CFEDMN Cc1ccc2nc(CN[C@@H]3CCC[C@H](C#N)C3)cn2c1 ZINC000278395825 328225124 /nfs/dbraw/zinc/22/51/24/328225124.db2.gz FDQIGJKCSDEGBN-UONOGXRCSA-N 0 1 268.364 2.815 20 30 CFEDMN N#C[C@H]1CCC[C@@H](NCc2nc3cc([N+](=O)[O-])ccc3[nH]2)C1 ZINC000278592955 328227876 /nfs/dbraw/zinc/22/78/76/328227876.db2.gz FCCLVSVBFVIGJT-WDEREUQCSA-N 0 1 299.334 2.643 20 30 CFEDMN Cc1cccc(N2CCN([C@H]3CC[C@@H](C#N)C3)CC2)c1 ZINC000278699956 328229953 /nfs/dbraw/zinc/22/99/53/328229953.db2.gz SWYWHTXAXQKVFO-WBVHZDCISA-N 0 1 269.392 2.809 20 30 CFEDMN N#C[C@@H]1CC[C@@H](Sc2nc(-c3cccnc3)n[nH]2)C1 ZINC000295840025 328287315 /nfs/dbraw/zinc/28/73/15/328287315.db2.gz WUNUWJYERUUZKK-MWLCHTKSSA-N 0 1 271.349 2.651 20 30 CFEDMN CCO[C@H]1C[C@@H]1NCc1ccc(C#N)cc1C(F)(F)F ZINC000571486129 322584908 /nfs/dbraw/zinc/58/49/08/322584908.db2.gz QEUZFAMXPOGCKI-STQMWFEESA-N 0 1 284.281 2.844 20 30 CFEDMN C[C@H](NCc1ccc(C#N)s1)C(=O)Nc1ccccc1 ZINC000176968440 323687520 /nfs/dbraw/zinc/68/75/20/323687520.db2.gz APLINTUREFKDIS-NSHDSACASA-N 0 1 285.372 2.737 20 30 CFEDMN CN(C(=O)c1ccc(C#N)c(O)c1)c1ccc(F)cc1 ZINC000188345473 324013665 /nfs/dbraw/zinc/01/36/65/324013665.db2.gz DLKMMZGENUABHA-UHFFFAOYSA-N 0 1 270.263 2.680 20 30 CFEDMN Cc1ncncc1[C@H](C)NCc1ccc(C#N)s1 ZINC000582251883 325189854 /nfs/dbraw/zinc/18/98/54/325189854.db2.gz MHBCWMGCUKXQMV-VIFPVBQESA-N 0 1 258.350 2.569 20 30 CFEDMN COC(=O)c1cccc(CN2CC(C)(C)C[C@@H]2C)c1C#N ZINC000583190274 325267351 /nfs/dbraw/zinc/26/73/51/325267351.db2.gz MZELJYAWCORKPS-LBPRGKRZSA-N 0 1 286.375 2.965 20 30 CFEDMN CCN(C(=O)[C@H](C)N1CC(C)C1)[C@H](C)c1ccc(C#N)cc1 ZINC000584061199 325327890 /nfs/dbraw/zinc/32/78/90/325327890.db2.gz DQBSFRIHZBMOKH-CABCVRRESA-N 0 1 299.418 2.808 20 30 CFEDMN CCN(C(=O)[C@@H](C)N1CC(C)C1)[C@H](C)c1ccc(C#N)cc1 ZINC000584061201 325328534 /nfs/dbraw/zinc/32/85/34/325328534.db2.gz DQBSFRIHZBMOKH-HUUCEWRRSA-N 0 1 299.418 2.808 20 30 CFEDMN C#CCC(C)(C)C(=O)NC[C@@H](c1ccco1)N1CCCC1 ZINC000184906081 328541165 /nfs/dbraw/zinc/54/11/65/328541165.db2.gz VMIGPQLWWGXCQF-AWEZNQCLSA-N 0 1 288.391 2.582 20 30 CFEDMN C=CCN(C)[C@H](C)C(=O)N(CC)C1CCCCC1 ZINC000121176795 330397102 /nfs/dbraw/zinc/39/71/02/330397102.db2.gz OINVPNWTSPFLKR-CYBMUJFWSA-N 0 1 252.402 2.674 20 30 CFEDMN C=CCCCC[N@@H+]1Cc2ccccc2C[C@@H]1C(=O)NCC ZINC000584168936 327055610 /nfs/dbraw/zinc/05/56/10/327055610.db2.gz BJGFGYDBZIGPBZ-QGZVFWFLSA-N 0 1 286.419 2.906 20 30 CFEDMN C=CCCCCN1Cc2ccccc2C[C@@H]1C(=O)NCC ZINC000584168936 327055612 /nfs/dbraw/zinc/05/56/12/327055612.db2.gz BJGFGYDBZIGPBZ-QGZVFWFLSA-N 0 1 286.419 2.906 20 30 CFEDMN C=C[C@H](CC(=O)N1CCN(C)C(C)(C)C1)c1ccccc1 ZINC000559259040 327151468 /nfs/dbraw/zinc/15/14/68/327151468.db2.gz QRMJNXLSJCMPFI-OAHLLOKOSA-N 0 1 286.419 2.899 20 30 CFEDMN CN(C)[C@H](CNC(=O)C(C)(C)C#N)c1ccc(Cl)cc1 ZINC000531067726 327238680 /nfs/dbraw/zinc/23/86/80/327238680.db2.gz RDVGAPXXGVGOPT-CYBMUJFWSA-N 0 1 293.798 2.609 20 30 CFEDMN CC#CCN(C)CCCC(=O)Nc1ccccc1C(C)=O ZINC000577884656 327285677 /nfs/dbraw/zinc/28/56/77/327285677.db2.gz ULPTZOBKFBBTBY-UHFFFAOYSA-N 0 1 286.375 2.563 20 30 CFEDMN C=CCCCCN[C@@H](C)c1nnnn1-c1ccccc1 ZINC000564509275 327364498 /nfs/dbraw/zinc/36/44/98/327364498.db2.gz OJYGAUDQORCHNU-ZDUSSCGKSA-N 0 1 271.368 2.669 20 30 CFEDMN C=CCOc1cccc(NC(=O)CN2CC[C@H](C)C2)c1 ZINC000561174620 327371272 /nfs/dbraw/zinc/37/12/72/327371272.db2.gz AYPLLKODPYSCKT-ZDUSSCGKSA-N 0 1 274.364 2.532 20 30 CFEDMN C=C[C@H]1CCCCN1CCOCC(F)(F)C(F)F ZINC000489441689 332052520 /nfs/dbraw/zinc/05/25/20/332052520.db2.gz AAHVTMXFYIACKZ-JTQLQIEISA-N 0 1 269.282 2.944 20 30 CFEDMN Cc1ccnc(-c2n[nH]c([C@H](C)N[C@@H]3CC[C@H](C#N)C3)n2)c1 ZINC000569911772 327555523 /nfs/dbraw/zinc/55/55/23/327555523.db2.gz OZBDKMZIZJCCGO-RWMBFGLXSA-N 0 1 296.378 2.518 20 30 CFEDMN CN1CCC(C#N)(NC(=O)C[C@H]2CCCCC2(C)C)CC1 ZINC000532776913 328809763 /nfs/dbraw/zinc/80/97/63/328809763.db2.gz MOPUBWMVLNLKBC-CQSZACIVSA-N 0 1 291.439 2.697 20 30 CFEDMN C=CCCCCCN(C)C(=O)N[C@H]1CCc2nc[nH]c2C1 ZINC000378067981 329038536 /nfs/dbraw/zinc/03/85/36/329038536.db2.gz JUXNAPROOWYOGS-ZDUSSCGKSA-N 0 1 290.411 2.655 20 30 CFEDMN C=CCN(CCn1ccc([N+](=O)[O-])n1)Cc1cccs1 ZINC000176196419 329172441 /nfs/dbraw/zinc/17/24/41/329172441.db2.gz MKLIWMWDSMTFPL-UHFFFAOYSA-N 0 1 292.364 2.541 20 30 CFEDMN C=CCCCC(=O)NCCc1nc2ccc(F)cc2[nH]1 ZINC000176155920 329174168 /nfs/dbraw/zinc/17/41/68/329174168.db2.gz YNCJWRHSJKXXJA-UHFFFAOYSA-N 0 1 275.327 2.717 20 30 CFEDMN CC(C)CCN(CCC#N)CCC(=O)OC(C)(C)C ZINC000177031695 329178306 /nfs/dbraw/zinc/17/83/06/329178306.db2.gz ZYMKSLJYBUHTCN-UHFFFAOYSA-N 0 1 268.401 2.980 20 30 CFEDMN C=C(C)CN(C)CC(=O)NCc1cccc(OCCC)c1 ZINC000181332303 329231998 /nfs/dbraw/zinc/23/19/98/329231998.db2.gz ATVNBJWVDPPVEZ-UHFFFAOYSA-N 0 1 290.407 2.600 20 30 CFEDMN C[C@H]1CCC[C@H](CO)N1CC#Cc1cccc(Cl)c1 ZINC000181383976 329232168 /nfs/dbraw/zinc/23/21/68/329232168.db2.gz XKMNSBHNFCORHG-XJKSGUPXSA-N 0 1 277.795 2.927 20 30 CFEDMN CC(C)(C#N)CCCN1CCCC[C@@H]1c1nnc[nH]1 ZINC000182681723 329243829 /nfs/dbraw/zinc/24/38/29/329243829.db2.gz SMRDGJARPWEFLY-GFCCVEGCSA-N 0 1 261.373 2.662 20 30 CFEDMN C=CCN(Cc1ccccc1)C(=O)[C@H](C)N1CC(C)C1 ZINC000583100354 329315950 /nfs/dbraw/zinc/31/59/50/329315950.db2.gz MXYKXNFLQLBDGM-HNNXBMFYSA-N 0 1 272.392 2.541 20 30 CFEDMN CCOc1ncccc1CN[C@H]1CCC[C@H](C#N)C1 ZINC000185711713 329330459 /nfs/dbraw/zinc/33/04/59/329330459.db2.gz RKMLBLQRXGUCAS-JSGCOSHPSA-N 0 1 259.353 2.652 20 30 CFEDMN CC#CCCCC(=O)N1CCN(C)CC12CCCCC2 ZINC000185947634 329333157 /nfs/dbraw/zinc/33/31/57/329333157.db2.gz YNGVREHDPSUXNN-UHFFFAOYSA-N 0 1 276.424 2.657 20 30 CFEDMN COc1ccc(C#N)cc1CN1CCC(CC#N)CC1 ZINC000397310865 329349726 /nfs/dbraw/zinc/34/97/26/329349726.db2.gz SLSQQUUPXMHNPM-UHFFFAOYSA-N 0 1 269.348 2.693 20 30 CFEDMN COc1cc(C)nc(CN2CCC(CC#N)CC2)c1 ZINC000397360152 329351161 /nfs/dbraw/zinc/35/11/61/329351161.db2.gz IRLLGRHTUAUEKX-UHFFFAOYSA-N 0 1 259.353 2.524 20 30 CFEDMN C#C[C@H](C)NCc1cc(OC)c(OC)cc1SC ZINC000123129799 329555780 /nfs/dbraw/zinc/55/57/80/329555780.db2.gz UJWUHPOTKCBCGX-JTQLQIEISA-N 0 1 265.378 2.537 20 30 CFEDMN CN(C(=O)CN1CCCCCC1)C1(C#N)CCCCC1 ZINC000061744739 329681194 /nfs/dbraw/zinc/68/11/94/329681194.db2.gz BTNYWAAOYANUFZ-UHFFFAOYSA-N 0 1 277.412 2.547 20 30 CFEDMN C=CC[N@@H+](Cc1ccc(OC)cc1)[C@@H](CC)C(=O)[O-] ZINC000263137958 330045523 /nfs/dbraw/zinc/04/55/23/330045523.db2.gz NXJSDMROHBWUAA-AWEZNQCLSA-N 0 1 263.337 2.546 20 30 CFEDMN C=CC[C@H](CO)CN=c1nc(-c2ccccc2C)[nH]s1 ZINC000527947020 330294313 /nfs/dbraw/zinc/29/43/13/330294313.db2.gz NFABQYWXFULVIS-LBPRGKRZSA-N 0 1 289.404 2.532 20 30 CFEDMN C=CCOc1ccc(CN[C@@H](CC)C(=O)NC)cc1Cl ZINC000449778249 330949753 /nfs/dbraw/zinc/94/97/53/330949753.db2.gz RNKMCZIDVOELOJ-ZDUSSCGKSA-N 0 1 296.798 2.519 20 30 CFEDMN C=C(C)CN(CCCC(=O)CC)Cc1ccc(CO)o1 ZINC000450983989 331010165 /nfs/dbraw/zinc/01/01/65/331010165.db2.gz SZEIKHYHJYQHLA-UHFFFAOYSA-N 0 1 279.380 2.909 20 30 CFEDMN N#CC1(CN2CCC[C@@](CO)(Cc3ccccc3)C2)CCC1 ZINC000451051167 331013529 /nfs/dbraw/zinc/01/35/29/331013529.db2.gz RPRDQSPATLIDEW-LJQANCHMSA-N 0 1 298.430 2.997 20 30 CFEDMN C[C@H]([N@@H+](C)CC#Cc1ccccc1Cl)C(C)(C)O ZINC000451364077 331025928 /nfs/dbraw/zinc/02/59/28/331025928.db2.gz CDJWTFSORXNLQU-LBPRGKRZSA-N 0 1 265.784 2.783 20 30 CFEDMN CCO[C@H]1CCN(CC#Cc2ccc(F)cc2)C[C@@H]1C ZINC000451538382 331033070 /nfs/dbraw/zinc/03/30/70/331033070.db2.gz JFJGJHUREMCHOX-YOEHRIQHSA-N 0 1 275.367 2.924 20 30 CFEDMN C=C[C@@H]1OCC[C@H]1N[C@@H](C)c1c(F)cccc1F ZINC000451610237 331036784 /nfs/dbraw/zinc/03/67/84/331036784.db2.gz XWQYXGLVNZAYDX-BIMULSAOSA-N 0 1 253.292 2.959 20 30 CFEDMN N#CCC[C@@H](C#N)CN1CCCc2ccccc2CC1 ZINC000451734781 331040627 /nfs/dbraw/zinc/04/06/27/331040627.db2.gz CKFKPWQGWQYUGE-HNNXBMFYSA-N 0 1 267.376 2.921 20 30 CFEDMN CC(C)OCCOC1CCN(CC2(C#N)CCC2)CC1 ZINC000451948934 331048011 /nfs/dbraw/zinc/04/80/11/331048011.db2.gz AWBHBJXRAPYZTG-UHFFFAOYSA-N 0 1 280.412 2.586 20 30 CFEDMN COC(=O)[C@H]1CN(CC2(C#N)CCC2)C[C@@H]1c1ccccc1 ZINC000452011772 331050488 /nfs/dbraw/zinc/05/04/88/331050488.db2.gz XBYNBJXZUWUJFU-CVEARBPZSA-N 0 1 298.386 2.569 20 30 CFEDMN CC1(C)CN(CC#Cc2ccc(F)cc2)[C@@H]2COC[C@@H]21 ZINC000452121551 331054991 /nfs/dbraw/zinc/05/49/91/331054991.db2.gz SVAGSIIUWSXMBX-JKSUJKDBSA-N 0 1 273.351 2.534 20 30 CFEDMN C=C(C)CCNC(=O)[C@@H]1CCCC[N@H+]1C1CCCC1 ZINC000452719534 331073465 /nfs/dbraw/zinc/07/34/65/331073465.db2.gz TYVULQSJTUGCAQ-HNNXBMFYSA-N 0 1 264.413 2.866 20 30 CFEDMN C=CC[C@@H](CO)N[C@@H](C)c1ncc(-c2ccccc2)n1C ZINC000453188863 331098994 /nfs/dbraw/zinc/09/89/94/331098994.db2.gz AGGOWAAENGHMON-ZFWWWQNUSA-N 0 1 285.391 2.675 20 30 CFEDMN C=CC(C)(C)CN[C@H](c1cn[nH]n1)c1ccc(F)cc1 ZINC000453302714 331113524 /nfs/dbraw/zinc/11/35/24/331113524.db2.gz ALGQYDLASINLLA-AWEZNQCLSA-N 0 1 274.343 2.835 20 30 CFEDMN C=C[C@@H]1OCC[C@H]1N[C@H](C)c1nc2ccccc2n1C ZINC000453360507 331122394 /nfs/dbraw/zinc/12/23/94/331122394.db2.gz OKYSHJAHZBTOPV-KYOSRNDESA-N 0 1 271.364 2.567 20 30 CFEDMN C=C(C)CCNC(=O)NC[C@@H](c1ccco1)N1CCCC1 ZINC000454164567 331140453 /nfs/dbraw/zinc/14/04/53/331140453.db2.gz ZRIICBIGFXMDOA-AWEZNQCLSA-N 0 1 291.395 2.682 20 30 CFEDMN C=CC(C)(C)CNC(=O)NC[C@H](c1ccsc1)N(C)C ZINC000454235498 331142542 /nfs/dbraw/zinc/14/25/42/331142542.db2.gz GJDBLCIQWJMRTG-CYBMUJFWSA-N 0 1 295.452 2.862 20 30 CFEDMN C=CCC1(NC(=O)CN(C)[C@H]2CCSC2)CCCCC1 ZINC000456363753 331191068 /nfs/dbraw/zinc/19/10/68/331191068.db2.gz IRTQHNVRUXCINW-AWEZNQCLSA-N 0 1 296.480 2.819 20 30 CFEDMN C=C(C)C[C@H](C)C(=O)N1CCN([C@H](C)CC)CC1 ZINC000456521035 331195040 /nfs/dbraw/zinc/19/50/40/331195040.db2.gz BXUPJGRFOBNRSX-UONOGXRCSA-N 0 1 252.402 2.531 20 30 CFEDMN C=C(C)CCNC(=O)N[C@@H](C)c1n[nH]c([C@H](C)CC)n1 ZINC000459003155 331265776 /nfs/dbraw/zinc/26/57/76/331265776.db2.gz ONYAFRDLQSMURW-MNOVXSKESA-N 0 1 279.388 2.645 20 30 CFEDMN C=C(CC)CNC(=O)N[C@@H](C)c1n[nH]c([C@@H](C)CC)n1 ZINC000459082219 331269665 /nfs/dbraw/zinc/26/96/65/331269665.db2.gz FXLKGZIFQNEQMB-QWRGUYRKSA-N 0 1 279.388 2.645 20 30 CFEDMN C=CC[N@H+](CCc1ccco1)CCn1cc(Cl)cn1 ZINC000459407720 331280236 /nfs/dbraw/zinc/28/02/36/331280236.db2.gz WCWVIYZSHYYMCP-UHFFFAOYSA-N 0 1 279.771 2.860 20 30 CFEDMN CC#CCCN1CCN(Cc2ccccc2Cl)CC1 ZINC000462322559 331319497 /nfs/dbraw/zinc/31/94/97/331319497.db2.gz ALJGZJJMCXEFQR-UHFFFAOYSA-N 0 1 276.811 2.871 20 30 CFEDMN C=CCn1cccc1C(=O)Nc1c(C)n[nH]c1C(F)F ZINC000488803506 332026266 /nfs/dbraw/zinc/02/62/66/332026266.db2.gz TWXHRUCKBXQEMH-UHFFFAOYSA-N 0 1 280.278 2.896 20 30 CFEDMN CC#CCCCC(=O)Nc1nc2ccc(F)cc2[nH]1 ZINC000488932621 332034225 /nfs/dbraw/zinc/03/42/25/332034225.db2.gz AHZBUTXJKYBYQX-UHFFFAOYSA-N 0 1 259.284 2.834 20 30 CFEDMN C=CCCCCCN1CCNC(=O)[C@@H]1CC(C)C ZINC000488975737 332036269 /nfs/dbraw/zinc/03/62/69/332036269.db2.gz IFGILOMAFLZUAF-AWEZNQCLSA-N 0 1 252.402 2.579 20 30 CFEDMN C=C[C@H]1CCCCN1CC(=O)N(CC)CCCC ZINC000489428582 332051427 /nfs/dbraw/zinc/05/14/27/332051427.db2.gz NILVCMPKYNEGNN-AWEZNQCLSA-N 0 1 252.402 2.676 20 30 CFEDMN C=C[C@@H]1CCCCN1CC(=O)N(C1CC1)C1CCCC1 ZINC000489483643 332055771 /nfs/dbraw/zinc/05/57/71/332055771.db2.gz SYIBGUKRMKJAKD-CQSZACIVSA-N 0 1 276.424 2.961 20 30 CFEDMN C=C(C)CNC(=O)c1ccc(CN2CCSCC2)cc1 ZINC000490037342 332077807 /nfs/dbraw/zinc/07/78/07/332077807.db2.gz SBYGMPRATFXLGS-UHFFFAOYSA-N 0 1 290.432 2.541 20 30 CFEDMN C#CCn1ccc(CN(CC)CCCc2ccc(C)nc2)n1 ZINC000490720794 332108903 /nfs/dbraw/zinc/10/89/03/332108903.db2.gz TZVMECFADAKMTR-UHFFFAOYSA-N 0 1 296.418 2.674 20 30 CFEDMN C#CCN(Cc1ccccc1)Cc1ccc(C(=O)NC)cc1 ZINC000491181361 332161581 /nfs/dbraw/zinc/16/15/81/332161581.db2.gz SKSJRATWGUFHSO-UHFFFAOYSA-N 0 1 292.382 2.682 20 30 CFEDMN C#CCN(C(=O)c1cccc2[nH]c(C)nc21)C1CCCC1 ZINC000491191276 332162636 /nfs/dbraw/zinc/16/26/36/332162636.db2.gz BVUGSGLAEIGBGA-UHFFFAOYSA-N 0 1 281.359 2.889 20 30 CFEDMN C#CCN(C[C@H](O)c1ccc(Cl)c(F)c1)C1CC1 ZINC000491275588 332178853 /nfs/dbraw/zinc/17/88/53/332178853.db2.gz FKVKDIQAJMQMLB-AWEZNQCLSA-N 0 1 267.731 2.610 20 30 CFEDMN C#CCN1CCC(C(=O)O[C@@H](C)c2ccccc2C)CC1 ZINC000491406288 332206159 /nfs/dbraw/zinc/20/61/59/332206159.db2.gz NEYFQQZCXSHNAU-HNNXBMFYSA-N 0 1 285.387 2.944 20 30 CFEDMN C#C[C@H](NCc1cc(OC)c(OC)cc1F)C(C)C ZINC000491620355 332246248 /nfs/dbraw/zinc/24/62/48/332246248.db2.gz FYVQSZDKTVPCFP-ZDUSSCGKSA-N 0 1 265.328 2.590 20 30 CFEDMN C#C[C@H](C)N(C)C(=O)c1cc(C2CCCCC2)[nH]n1 ZINC000491771190 332337945 /nfs/dbraw/zinc/33/79/45/332337945.db2.gz OIMPCACXMRNISA-NSHDSACASA-N 0 1 259.353 2.551 20 30 CFEDMN C#CCN(CC)Cc1cn(C)nc1-c1ccc(F)cc1 ZINC000491771688 332338147 /nfs/dbraw/zinc/33/81/47/332338147.db2.gz SCKVJPPKTKZJEY-UHFFFAOYSA-N 0 1 271.339 2.681 20 30 CFEDMN C#C[C@@H](C)N(C)Cc1cc(OC)c(OCC)c(OC)c1 ZINC000491780424 332344724 /nfs/dbraw/zinc/34/47/24/332344724.db2.gz DJAZTBMRCHZIRI-GFCCVEGCSA-N 0 1 277.364 2.556 20 30 CFEDMN C#CCN(Cc1c[nH]c2nccnc12)Cc1ccccc1 ZINC000491804160 332358094 /nfs/dbraw/zinc/35/80/94/332358094.db2.gz KNEOEGRZSSZDNS-UHFFFAOYSA-N 0 1 276.343 2.545 20 30 CFEDMN C#C[C@H](C)N(C)C(=O)Nc1ccc2nc(C(F)F)[nH]c2c1 ZINC000491811196 332363877 /nfs/dbraw/zinc/36/38/77/332363877.db2.gz BWPXIUWJBUZIMV-QMMMGPOBSA-N 0 1 292.289 2.986 20 30 CFEDMN C=C(C)COCCNCc1nc(CCC)cs1 ZINC000494180385 332465557 /nfs/dbraw/zinc/46/55/57/332465557.db2.gz UKHBQFYKMMWMRV-UHFFFAOYSA-N 0 1 254.399 2.778 20 30 CFEDMN C=C(C)[C@H](NC[C@H]1CN(C)C(=O)O1)c1ccc(F)c(F)c1 ZINC000495660542 332526547 /nfs/dbraw/zinc/52/65/47/332526547.db2.gz BPEQJEJPLVGCBI-FZMZJTMJSA-N 0 1 296.317 2.622 20 30 CFEDMN CC(C)(C)OC(=O)N1CCC[C@H](NCC2(C#N)CCC2)C1 ZINC000496833540 332561704 /nfs/dbraw/zinc/56/17/04/332561704.db2.gz BMMVWIIFRIOFJM-ZDUSSCGKSA-N 0 1 293.411 2.669 20 30 CFEDMN CC[C@@H](CC#N)NCC(C)(C)NC(=O)OC(C)(C)C ZINC000310008704 333052804 /nfs/dbraw/zinc/05/28/04/333052804.db2.gz JGKAYGINMKCXMD-NSHDSACASA-N 0 1 269.389 2.572 20 30 CFEDMN C=CCOc1cccc(C[N@H+](C)Cc2cnn(C)c2C)c1 ZINC000516907230 333086101 /nfs/dbraw/zinc/08/61/01/333086101.db2.gz DYAZZZHTVVZSTM-UHFFFAOYSA-N 0 1 285.391 2.925 20 30 CFEDMN C=CCOc1cccc(CN(C)Cc2cnn(C)c2C)c1 ZINC000516907230 333086102 /nfs/dbraw/zinc/08/61/02/333086102.db2.gz DYAZZZHTVVZSTM-UHFFFAOYSA-N 0 1 285.391 2.925 20 30 CFEDMN C=C(C)C[C@H](C)C(=O)N1CCN(CCOC)[C@@H](CCC)C1 ZINC000185971268 333152622 /nfs/dbraw/zinc/15/26/22/333152622.db2.gz LKFPVCOGZZEMSX-HOTGVXAUSA-N 0 1 296.455 2.548 20 30 CFEDMN C#CCN(CCOCC(F)F)Cc1ccc(F)cc1 ZINC000188914351 333176026 /nfs/dbraw/zinc/17/60/26/333176026.db2.gz VCGAKEZLOSYIEP-UHFFFAOYSA-N 0 1 271.282 2.543 20 30 CFEDMN CC(C)(C)CN(CCC#N)C[C@@H](O)CC(F)(F)F ZINC000189371784 333191319 /nfs/dbraw/zinc/19/13/19/333191319.db2.gz HIWGTLNJGFUVRS-JTQLQIEISA-N 0 1 266.307 2.561 20 30 CFEDMN C=CCCCCCN1CCN(c2nc(CC)ns2)CC1 ZINC000193364747 333248900 /nfs/dbraw/zinc/24/89/00/333248900.db2.gz YXOKBRVRISNXQP-UHFFFAOYSA-N 0 1 294.468 2.969 20 30 CFEDMN C=CC[C@H](C)NC(=O)c1cccc(Br)c1O ZINC000522665819 333295649 /nfs/dbraw/zinc/29/56/49/333295649.db2.gz XDGIWGDXCZUBLF-QMMMGPOBSA-N 0 1 284.153 2.849 20 30 CFEDMN C#C[C@H](CC)NCc1cccc(OC)c1OC(F)F ZINC000229890426 333310977 /nfs/dbraw/zinc/31/09/77/333310977.db2.gz HTWZXHPDBSTADH-LLVKDONJSA-N 0 1 269.291 2.798 20 30 CFEDMN C[C@H](CCC(=O)NC1(C#N)CCN(C)CC1)c1ccccc1 ZINC000540104939 333709621 /nfs/dbraw/zinc/70/96/21/333709621.db2.gz VRXKXNLXUIGXMH-OAHLLOKOSA-N 0 1 299.418 2.674 20 30 CFEDMN C[C@@H]1CCC[C@H](NC(=O)CN2CCC(CC#N)CC2)[C@@H]1C ZINC000542878553 333847422 /nfs/dbraw/zinc/84/74/22/333847422.db2.gz GFGAOMARDWNMLI-FMKPAKJESA-N 0 1 291.439 2.553 20 30 CFEDMN C[C@@H](C(=O)N(C)C1CCCCC1)N1CCC(CC#N)CC1 ZINC000543810400 333901176 /nfs/dbraw/zinc/90/11/76/333901176.db2.gz PVFWQGDPQGTQGV-AWEZNQCLSA-N 0 1 291.439 2.792 20 30 CFEDMN CC(C)(C#N)CCN1CCC([C@@](C)(O)C(F)(F)F)CC1 ZINC000545931761 334007488 /nfs/dbraw/zinc/00/74/88/334007488.db2.gz DLYLEQLUWUOXRX-CYBMUJFWSA-N 0 1 292.345 2.952 20 30 CFEDMN Cn1cc(C(C)(C)NCC#Cc2ccc(Cl)cc2)cn1 ZINC000546704623 334047105 /nfs/dbraw/zinc/04/71/05/334047105.db2.gz GGBXRRLXEUUGSS-UHFFFAOYSA-N 0 1 287.794 2.950 20 30 CFEDMN C=CCNC(=O)CN(C)CC(C)(C)c1ccc(C)cc1 ZINC000075861571 334054950 /nfs/dbraw/zinc/05/49/50/334054950.db2.gz IJQDFWNCUALAEW-UHFFFAOYSA-N 0 1 274.408 2.507 20 30 CFEDMN Cc1c(-c2cc(CN3CCC(CC#N)CC3)on2)cnn1C ZINC000547347360 334081818 /nfs/dbraw/zinc/08/18/18/334081818.db2.gz WVDZZIWEJRAHQU-UHFFFAOYSA-N 0 1 299.378 2.509 20 30 CFEDMN C[C@@H](C(=O)N(CCC#N)c1ccccc1)[N@@H+](C)CC1CC1 ZINC000077194547 334098169 /nfs/dbraw/zinc/09/81/69/334098169.db2.gz HPYLZROKVXZTPE-AWEZNQCLSA-N 0 1 285.391 2.664 20 30 CFEDMN C=CCC[N@H+]1CCCC[C@@H]1CNC(=O)c1ccccc1 ZINC000175171353 335176734 /nfs/dbraw/zinc/17/67/34/335176734.db2.gz HFCHZMBMASBGHE-MRXNPFEDSA-N 0 1 272.392 2.847 20 30 CFEDMN Cn1cc(-c2ccccc2CNC[C@H](C#N)CCC#N)cn1 ZINC000564345589 334149932 /nfs/dbraw/zinc/14/99/32/334149932.db2.gz DBUWZFHZYYBOGJ-AWEZNQCLSA-N 0 1 293.374 2.620 20 30 CFEDMN N#C[C@@H]1CC[C@H](N2CCN(Cc3ccsc3)CC2)C1 ZINC000549746830 334203641 /nfs/dbraw/zinc/20/36/41/334203641.db2.gz CZJKGBCGMGVXAC-HIFRSBDPSA-N 0 1 275.421 2.558 20 30 CFEDMN CCc1oc(CN2CCC(CC#N)CC2)cc1C(=O)OC ZINC000549779101 334204815 /nfs/dbraw/zinc/20/48/15/334204815.db2.gz SUUXSXMUOXDULM-UHFFFAOYSA-N 0 1 290.363 2.754 20 30 CFEDMN C=CCN(C[C@H](CC)CCCC)[C@H]1CCS(=O)(=O)C1 ZINC000248867448 334320157 /nfs/dbraw/zinc/32/01/57/334320157.db2.gz IIKBATLFSROXQJ-CABCVRRESA-N 0 1 287.469 2.878 20 30 CFEDMN N#CC1(CN[C@@H]2Cc3[nH]c4ccccc4c3C2)CC1 ZINC000569103960 334855308 /nfs/dbraw/zinc/85/53/08/334855308.db2.gz OEOWAZVSLZMWOI-NSHDSACASA-N 0 1 251.333 2.528 20 30 CFEDMN CN(Cc1ccc(CC#N)cc1)Cc1cccnc1 ZINC000343420230 335204267 /nfs/dbraw/zinc/20/42/67/335204267.db2.gz MVCDQZSHCNUGJM-UHFFFAOYSA-N 0 1 251.333 2.780 20 30 CFEDMN CC[C@H](CC#N)NCCC(=O)Nc1cccc(F)c1C ZINC000577003414 335277429 /nfs/dbraw/zinc/27/74/29/335277429.db2.gz RNWFXAFHGLSWIV-GFCCVEGCSA-N 0 1 277.343 2.745 20 30 CFEDMN C=C(C)CN1CC[C@H]1CN(C)C(=O)C1CC(C)(C)C1 ZINC001085578424 782104966 /nfs/dbraw/zinc/10/49/66/782104966.db2.gz NJVMGYZSUKTSGZ-AWEZNQCLSA-N 0 1 264.413 2.531 20 30 CFEDMN C=C(C)CN1CC[C@H]1CN(C)C(=O)[C@@H]1CCCC12CC2 ZINC001085667147 782128821 /nfs/dbraw/zinc/12/88/21/782128821.db2.gz ALDSWTLLPHKDBD-GJZGRUSLSA-N 0 1 276.424 2.676 20 30 CFEDMN C#CCCN1CC[C@H]1CN(C)C(=O)C1CCC2(CC2)CC1 ZINC001085727987 782145303 /nfs/dbraw/zinc/14/53/03/782145303.db2.gz MJMSKGBLWQRIHO-INIZCTEOSA-N 0 1 288.435 2.513 20 30 CFEDMN O=C(Nc1scnc1C1CC1)[C@@H]1CCc2[nH]nnc2C1 ZINC000329073236 534334206 /nfs/dbraw/zinc/33/42/06/534334206.db2.gz ZYQXDUHKVJEEOC-MRVPVSSYSA-N 0 1 289.364 2.532 20 30 CFEDMN O=C(Nc1scnc1C1CC1)[C@@H]1CCc2nn[nH]c2C1 ZINC000329073236 534334212 /nfs/dbraw/zinc/33/42/12/534334212.db2.gz ZYQXDUHKVJEEOC-MRVPVSSYSA-N 0 1 289.364 2.532 20 30 CFEDMN O=C(CCc1cnc[nH]1)Nc1cnc2c(c1)CCCC2 ZINC000330024750 534336681 /nfs/dbraw/zinc/33/66/81/534336681.db2.gz JZLMZWRDQGQNKX-UHFFFAOYSA-N 0 1 270.336 2.904 20 30 CFEDMN CCN(CC#N)C(=O)c1cc(-c2ccccc2Cl)[nH]n1 ZINC000049426734 520298066 /nfs/dbraw/zinc/29/80/66/520298066.db2.gz VFZOQOUZUWZXFF-UHFFFAOYSA-N 0 1 288.738 2.716 20 30 CFEDMN CCN(CC(=O)Nc1oc(C)c(C)c1C#N)CC1CCC1 ZINC000361483029 520372949 /nfs/dbraw/zinc/37/29/49/520372949.db2.gz ZYRVWOBTPNZOAT-UHFFFAOYSA-N 0 1 289.379 2.829 20 30 CFEDMN CC1(C)CCN([C@H]2CCN(c3ccc(C#N)cc3)C2=O)CC1 ZINC000339259893 520382655 /nfs/dbraw/zinc/38/26/55/520382655.db2.gz SAFFFDBXKDESNL-INIZCTEOSA-N 0 1 297.402 2.786 20 30 CFEDMN Cc1nc2cc(N[C@@H]3CC[C@@H](C#N)C3)ccc2n1C ZINC000334756425 534643343 /nfs/dbraw/zinc/64/33/43/534643343.db2.gz HUUFDTMPGRZNSE-VXGBXAGGSA-N 0 1 254.337 2.986 20 30 CFEDMN CC[C@H](O)[C@@H]1CCCCN1Cc1cccc(C#N)c1F ZINC000340926351 522826089 /nfs/dbraw/zinc/82/60/89/522826089.db2.gz SBMPPPHIUQBZRK-GJZGRUSLSA-N 0 1 276.355 2.823 20 30 CFEDMN CN(CCOCC1CC1)Cc1ccc(C#N)c(F)c1 ZINC000192067324 522892797 /nfs/dbraw/zinc/89/27/97/522892797.db2.gz QWHYDGRZRRBAOI-UHFFFAOYSA-N 0 1 262.328 2.556 20 30 CFEDMN CN(Cc1ccc(F)cc1C#N)C[C@@H]1CCCC[C@H]1O ZINC000305816745 523255533 /nfs/dbraw/zinc/25/55/33/523255533.db2.gz OSEARVCGMOALEF-XJKSGUPXSA-N 0 1 276.355 2.680 20 30 CFEDMN CC[C@H]1CN(CC)CCN1C(=O)Nc1cccc(C#N)c1 ZINC000334940001 523273209 /nfs/dbraw/zinc/27/32/09/523273209.db2.gz IXRZOGKZUAHKQH-HNNXBMFYSA-N 0 1 286.379 2.506 20 30 CFEDMN CC[C@H]1CN(Cc2cc(C#N)ccc2OC)CCCO1 ZINC000312173293 523283228 /nfs/dbraw/zinc/28/32/28/523283228.db2.gz LRZMRRJLJUMQQT-HNNXBMFYSA-N 0 1 274.364 2.568 20 30 CFEDMN CC[C@H]1CN(Cc2ccc(F)c(C#N)c2)CCCO1 ZINC000311262041 523287000 /nfs/dbraw/zinc/28/70/00/523287000.db2.gz WFYMBZUHKRRGRF-AWEZNQCLSA-N 0 1 262.328 2.698 20 30 CFEDMN COc1ccc(C#N)cc1CN1CCC(n2ccnc2)CC1 ZINC000156432446 523523633 /nfs/dbraw/zinc/52/36/33/523523633.db2.gz IBNLCZMOQGDXGS-UHFFFAOYSA-N 0 1 296.374 2.600 20 30 CFEDMN N#CCc1ccc(CN(CCCO)Cc2ccccn2)cc1 ZINC000347116741 534717518 /nfs/dbraw/zinc/71/75/18/534717518.db2.gz XBIRTQBOYWVSMI-UHFFFAOYSA-N 0 1 295.386 2.532 20 30 CFEDMN N#CCc1ccc(CN[C@@H](CO)c2ccc(F)cc2)cc1 ZINC000343697380 534720449 /nfs/dbraw/zinc/72/04/49/534720449.db2.gz SGXGRWVIHNFPPB-KRWDZBQOSA-N 0 1 284.334 2.715 20 30 CFEDMN CO[C@@H]1CCCN(Cc2cc(F)ccc2C#N)CC1 ZINC000363682887 523596729 /nfs/dbraw/zinc/59/67/29/523596729.db2.gz BEHYLTUEUDFWQI-OAHLLOKOSA-N 0 1 262.328 2.698 20 30 CFEDMN CC[C@@]1(C)COCCN1CCCOc1cccc(C#N)c1 ZINC000340862984 523722284 /nfs/dbraw/zinc/72/22/84/523722284.db2.gz AILBEVKDTQNYDJ-KRWDZBQOSA-N 0 1 288.391 2.828 20 30 CFEDMN CO[C@H]1CN(Cc2cccc(C#N)c2F)CC[C@@H]1C ZINC000221125423 524007828 /nfs/dbraw/zinc/00/78/28/524007828.db2.gz FOBCYBYSQZQFOJ-FZMZJTMJSA-N 0 1 262.328 2.554 20 30 CFEDMN COc1ccc(CNCc2ccc(C#N)cc2)c(F)c1 ZINC000229742360 524072744 /nfs/dbraw/zinc/07/27/44/524072744.db2.gz AFXUQLNNOPMXMZ-UHFFFAOYSA-N 0 1 270.307 2.996 20 30 CFEDMN C[C@@H]1CCCCCN1CC(=O)Nc1ccc(C#N)cc1 ZINC000070409571 524084084 /nfs/dbraw/zinc/08/40/84/524084084.db2.gz HWZXOHZIQYXPPW-CYBMUJFWSA-N 0 1 271.364 2.761 20 30 CFEDMN C=CCC[C@H](O)CN[C@](C)(CC)c1nccs1 ZINC000268522997 534806510 /nfs/dbraw/zinc/80/65/10/534806510.db2.gz GGWVUPYPVVPIMS-WCQYABFASA-N 0 1 254.399 2.685 20 30 CFEDMN C[C@H]1C[C@H](c2cccnc2)N(Cc2cc(C#N)n(C)c2)C1 ZINC000191493223 524946267 /nfs/dbraw/zinc/94/62/67/524946267.db2.gz LOHJICMZIBQKBF-SUMWQHHRSA-N 0 1 280.375 2.875 20 30 CFEDMN Cc1nn(C)cc1CN(C)[C@@H](C)c1cccc(C#N)c1 ZINC000425364396 534831994 /nfs/dbraw/zinc/83/19/94/534831994.db2.gz GCKHMDYGXAPNBU-ZDUSSCGKSA-N 0 1 268.364 2.793 20 30 CFEDMN C[C@H](NCc1cccc(C(N)=O)c1)c1cccc(C#N)c1 ZINC000037270505 525456792 /nfs/dbraw/zinc/45/67/92/525456792.db2.gz DPCBRGYRSSZUCZ-LBPRGKRZSA-N 0 1 279.343 2.508 20 30 CFEDMN Cc1n[nH]c(C(F)F)c1NC(=O)c1cc(C#N)cs1 ZINC000334963703 525470233 /nfs/dbraw/zinc/47/02/33/525470233.db2.gz AIZZASIHUDGLNW-UHFFFAOYSA-N 0 1 282.275 2.841 20 30 CFEDMN C[C@H](NCc1cncc(F)c1)c1ccc(C#N)cc1 ZINC000230938572 525478226 /nfs/dbraw/zinc/47/82/26/525478226.db2.gz LVVYDSQORZIAML-NSHDSACASA-N 0 1 255.296 2.943 20 30 CFEDMN C[C@H](N[C@@H](C)c1ccc(C#N)cc1)c1ccnn1C ZINC000235528494 525528729 /nfs/dbraw/zinc/52/87/29/525528729.db2.gz KSYZIUIWNKTIAI-RYUDHWBXSA-N 0 1 254.337 2.704 20 30 CFEDMN Cc1c(C#N)cccc1C(=O)Nc1ncc(C(F)(F)F)[nH]1 ZINC000338415698 525545486 /nfs/dbraw/zinc/54/54/86/525545486.db2.gz KAOPNTQONSOSMH-UHFFFAOYSA-N 0 1 294.236 2.861 20 30 CFEDMN C[C@H](O)C1CCN(Cc2ccc(C#N)cc2Cl)CC1 ZINC000221120061 525701658 /nfs/dbraw/zinc/70/16/58/525701658.db2.gz BNIDKWGJPWTMIJ-NSHDSACASA-N 0 1 278.783 2.804 20 30 CFEDMN C#CCCN1CC[C@H]1CN(C)C(=O)c1ccc(CCC)cc1 ZINC001085792507 782163885 /nfs/dbraw/zinc/16/38/85/782163885.db2.gz MAMZYCKNDJXOPD-SFHVURJKSA-N 0 1 298.430 2.809 20 30 CFEDMN C[C@@H](O)[C@H]1CCCCN1Cc1ccc(C#N)cc1Cl ZINC000336403493 525858403 /nfs/dbraw/zinc/85/84/03/525858403.db2.gz NKKIJNZLXZSHSV-IAQYHMDHSA-N 0 1 278.783 2.947 20 30 CFEDMN N#Cc1c(F)cccc1CN1CC[C@@H](O)C12CCCC2 ZINC000336130625 526522845 /nfs/dbraw/zinc/52/28/45/526522845.db2.gz OKQTXCMVZYPGBR-OAHLLOKOSA-N 0 1 274.339 2.577 20 30 CFEDMN N#Cc1c(F)cccc1CN1CC[C@H](C2CCOCC2)C1 ZINC000336110720 526523246 /nfs/dbraw/zinc/52/32/46/526523246.db2.gz KXMOSRFZWHEFGU-AWEZNQCLSA-N 0 1 288.366 2.946 20 30 CFEDMN N#Cc1cc(C(=O)Nc2cccc(Cl)c2O)ccn1 ZINC000193691421 526546224 /nfs/dbraw/zinc/54/62/24/526546224.db2.gz VGLRPRXLTPFHDL-UHFFFAOYSA-N 0 1 273.679 2.565 20 30 CFEDMN C=C(C)CN(CC[C@H](C)F)Cc1ccc(CO)o1 ZINC000352814880 526553615 /nfs/dbraw/zinc/55/36/15/526553615.db2.gz KDZUYSCGPDAOEP-LBPRGKRZSA-N 0 1 255.333 2.898 20 30 CFEDMN C=C(C)CN(Cc1ccc(CO)o1)C[C@@H]1CC[C@H](C)O1 ZINC000352813538 526560216 /nfs/dbraw/zinc/56/02/16/526560216.db2.gz DHAOHJTZJVXWBF-KBPBESRZSA-N 0 1 279.380 2.718 20 30 CFEDMN N#Cc1ccc(CN2CC[C@@](O)(C3CC3)C2)c(Cl)c1 ZINC000336430996 526617033 /nfs/dbraw/zinc/61/70/33/526617033.db2.gz PFPKJHMSUACACM-HNNXBMFYSA-N 0 1 276.767 2.558 20 30 CFEDMN N#Cc1ccc(CN[C@H](CO)c2ccc(F)cc2)cc1F ZINC000361745396 526627243 /nfs/dbraw/zinc/62/72/43/526627243.db2.gz IKVMLBAQIYYUSK-MRXNPFEDSA-N 0 1 288.297 2.660 20 30 CFEDMN N#Cc1ccc(NC(=O)CN2CCCC3(CCC3)C2)cc1 ZINC000366339425 526650376 /nfs/dbraw/zinc/65/03/76/526650376.db2.gz KTQKKHFSLOSDRL-UHFFFAOYSA-N 0 1 283.375 2.763 20 30 CFEDMN N#Cc1ccc2c(c1)[C@@H](NCc1ccc(F)cn1)CC2 ZINC000334843369 526692408 /nfs/dbraw/zinc/69/24/08/526692408.db2.gz LPNQQDHQDPOWJU-INIZCTEOSA-N 0 1 267.307 2.869 20 30 CFEDMN C=CCOCC(=O)N1CCC[C@H]1c1nc2ccc(C)cc2[nH]1 ZINC000354817134 526695178 /nfs/dbraw/zinc/69/51/78/526695178.db2.gz WGEMUYDIGCYRNR-HNNXBMFYSA-N 0 1 299.374 2.737 20 30 CFEDMN N#Cc1csc(CN[C@H](c2nnc[nH]2)c2ccccc2)c1 ZINC000361163734 526783625 /nfs/dbraw/zinc/78/36/25/526783625.db2.gz BYRLIVLRTDWMQY-AWEZNQCLSA-N 0 1 295.371 2.617 20 30 CFEDMN CC(C)(C)c1nc(CNc2ccc(F)cc2C#N)n[nH]1 ZINC000413421062 526847273 /nfs/dbraw/zinc/84/72/73/526847273.db2.gz QFUBOKSKESWFIZ-UHFFFAOYSA-N 0 1 273.315 2.725 20 30 CFEDMN C=CCOc1ccccc1CN1CCSC[C@H]1CCO ZINC000355082132 526933757 /nfs/dbraw/zinc/93/37/57/526933757.db2.gz PPRZVESKFPJIAT-OAHLLOKOSA-N 0 1 293.432 2.551 20 30 CFEDMN C=CCC(C)(C)CNC(=O)c1n[nH]nc1-c1ccccc1 ZINC000352527048 527013832 /nfs/dbraw/zinc/01/38/32/527013832.db2.gz VRYZJIYYTIIBSU-UHFFFAOYSA-N 0 1 284.363 2.804 20 30 CFEDMN C=CCC(C)(C)CNC(=O)c1ccc(-c2nnc[nH]2)cc1 ZINC000352495891 527015192 /nfs/dbraw/zinc/01/51/92/527015192.db2.gz PPVHDVITNLUEEG-UHFFFAOYSA-N 0 1 284.363 2.804 20 30 CFEDMN C=CC[C@H](C)NC(=O)[C@H]1CCc2[nH]c(C(C)C)nc2C1 ZINC000356117305 527136411 /nfs/dbraw/zinc/13/64/11/527136411.db2.gz XBGZUYBKJUVOAG-RYUDHWBXSA-N 0 1 275.396 2.719 20 30 CFEDMN C=CCCC[C@H](C)NC(=O)N1CCNC[C@@H]1CCC ZINC000417992522 527286943 /nfs/dbraw/zinc/28/69/43/527286943.db2.gz WNRWHZYMRKNTDL-KBPBESRZSA-N 0 1 267.417 2.515 20 30 CFEDMN C=C[C@@H](C)NC(=O)[C@H](CC)N(C)Cc1ccccc1 ZINC000355057788 527411725 /nfs/dbraw/zinc/41/17/25/527411725.db2.gz LLEWPLNPAYZRII-HIFRSBDPSA-N 0 1 260.381 2.588 20 30 CFEDMN C=C[C@H](C)NC(=O)[C@H](CC)N(C)Cc1ccccc1 ZINC000355057793 527566971 /nfs/dbraw/zinc/56/69/71/527566971.db2.gz LLEWPLNPAYZRII-ZFWWWQNUSA-N 0 1 260.381 2.588 20 30 CFEDMN CC(C)CCC1CCN(CC(=O)NC2(C#N)CCC2)CC1 ZINC000347056692 527700330 /nfs/dbraw/zinc/70/03/30/527700330.db2.gz OXISFVOZFTWDJA-UHFFFAOYSA-N 0 1 291.439 2.697 20 30 CFEDMN CC1=CCN(CCNC(=O)c2cn(C)nc2C(C)C)CC1 ZINC000329115963 528114651 /nfs/dbraw/zinc/11/46/51/528114651.db2.gz SYVSDDLKSSLTGR-UHFFFAOYSA-N 0 1 290.411 2.500 20 30 CFEDMN CCCN(Cc1nnc(-c2ccc(C#N)cc2)o1)C1CC1 ZINC000173662264 528155387 /nfs/dbraw/zinc/15/53/87/528155387.db2.gz UGBHXOHHLNUSDL-UHFFFAOYSA-N 0 1 282.347 2.983 20 30 CFEDMN CC(C)C[C@H](N)c1noc(-c2ccc(C#N)s2)n1 ZINC000414617749 528555276 /nfs/dbraw/zinc/55/52/76/528555276.db2.gz LSDLXKJLHHBFSB-VIFPVBQESA-N 0 1 262.338 2.716 20 30 CFEDMN CC(C)C[C@H](N)c1noc(-c2cc(C#N)cc(N(C)C)c2)n1 ZINC000414626353 528556121 /nfs/dbraw/zinc/55/61/21/528556121.db2.gz QCVPRMLSYGOHAF-AWEZNQCLSA-N 0 1 299.378 2.720 20 30 CFEDMN CCOC(=O)CC(C)(C)CCN(CC)CCC#N ZINC000347052896 528662031 /nfs/dbraw/zinc/66/20/31/528662031.db2.gz LQNNVLSCEFOKAT-UHFFFAOYSA-N 0 1 254.374 2.591 20 30 CFEDMN CC(C)Cn1ccnc1CNC(=O)[C@H]1CCCN1C1CC1 ZINC000330298331 528727056 /nfs/dbraw/zinc/72/70/56/528727056.db2.gz HHUQCPVIBKBALO-CQSZACIVSA-N 0 1 290.411 2.622 20 30 CFEDMN CC[C@H]1OCCC[C@@H]1C(=O)Nc1nc(C2CCC2)n[nH]1 ZINC000330263053 529333179 /nfs/dbraw/zinc/33/31/79/529333179.db2.gz WAUGUEVZHVHXLU-WDEREUQCSA-N 0 1 278.356 2.865 20 30 CFEDMN CC[C@H]1OCCC[C@@H]1C(=O)Nc1n[nH]c(C2CCC2)n1 ZINC000330263053 529333181 /nfs/dbraw/zinc/33/31/81/529333181.db2.gz WAUGUEVZHVHXLU-WDEREUQCSA-N 0 1 278.356 2.865 20 30 CFEDMN CC(C)Oc1ccc(C#N)cc1NC(=O)CCc1cnc[nH]1 ZINC000192184172 534972335 /nfs/dbraw/zinc/97/23/35/534972335.db2.gz GQUOXXUBEHJXNL-UHFFFAOYSA-N 0 1 298.346 2.640 20 30 CFEDMN CSc1ccc(C=NNC2=N[C@@H]3CCCC[C@@H]3N2)cc1 ZINC000753933170 574055303 /nfs/dbraw/zinc/05/53/03/574055303.db2.gz CXVQWFKMOJIKST-OKILXGFUSA-N 0 1 288.420 2.602 20 30 CFEDMN Cc1cc(C)c(C=NNC2=N[C@@H]3CCCC[C@H]3N2)c(C)c1 ZINC000753929082 574055316 /nfs/dbraw/zinc/05/53/16/574055316.db2.gz NWHQXMHJMJJZOU-HZPDHXFCSA-N 0 1 284.407 2.806 20 30 CFEDMN CSc1ccc(C=NNC2=N[C@H]3CCCC[C@@H]3N2)cc1 ZINC000753933167 574055533 /nfs/dbraw/zinc/05/55/33/574055533.db2.gz CXVQWFKMOJIKST-KBPBESRZSA-N 0 1 288.420 2.602 20 30 CFEDMN C(=NNC1=N[C@H]2CCCC[C@@H]2N1)c1cc2ccccc2o1 ZINC000753935860 574056435 /nfs/dbraw/zinc/05/64/35/574056435.db2.gz PQYBZSXMEVCQAQ-KBPBESRZSA-N 0 1 282.347 2.627 20 30 CFEDMN Fc1cc(C=NNC2=N[C@@H]3CCCC[C@H]3N2)ccc1Cl ZINC000753937882 574056839 /nfs/dbraw/zinc/05/68/39/574056839.db2.gz HPEGEUUQVYCKQP-CHWSQXEVSA-N 0 1 294.761 2.673 20 30 CFEDMN COc1ccccc1CC=CN=NC1=N[C@@H]2CCCC[C@H]2N1 ZINC000753940307 574057297 /nfs/dbraw/zinc/05/72/97/574057297.db2.gz UCRYWKQNETVSOM-SKCRJKJISA-N 0 1 298.390 2.554 20 30 CFEDMN C[C@H]1CC(N=Nc2ccccc2[N+](=O)[O-])CN1C1CC1 ZINC000753968466 574060569 /nfs/dbraw/zinc/06/05/69/574060569.db2.gz XDLVIZXOYVOAIC-JTQLQIEISA-N 0 1 274.324 2.619 20 30 CFEDMN C=CCCCN(C)CN1C[C@@H](c2cccc(F)c2)CC1=O ZINC000736589613 574061422 /nfs/dbraw/zinc/06/14/22/574061422.db2.gz KPEVULBILVKZCI-HNNXBMFYSA-N 0 1 290.382 2.997 20 30 CFEDMN C=CCCCN(C)CN1C[C@H](c2cccc(F)c2)CC1=O ZINC000736589614 574061451 /nfs/dbraw/zinc/06/14/51/574061451.db2.gz KPEVULBILVKZCI-OAHLLOKOSA-N 0 1 290.382 2.997 20 30 CFEDMN C#CC[N@H+](CC1CCN(C(=O)[O-])CC1)C1CCCCC1 ZINC000738462060 574066774 /nfs/dbraw/zinc/06/67/74/574066774.db2.gz WCUUOSRVMPCPDL-UHFFFAOYSA-N 0 1 278.396 2.644 20 30 CFEDMN CC[C@@H](C(=O)OCc1ccc(C#N)cc1F)N(CC)CC ZINC000741033229 574072767 /nfs/dbraw/zinc/07/27/67/574072767.db2.gz RPJOSSSRVQAHHS-HNNXBMFYSA-N 0 1 292.354 2.861 20 30 CFEDMN CC[C@H]1CCC[N@H+]([C@H](C(=O)[O-])c2ccc(C#N)cc2)C1 ZINC000736939223 574086548 /nfs/dbraw/zinc/08/65/48/574086548.db2.gz LOHQRTXAPFYVQG-WFASDCNBSA-N 0 1 272.348 2.806 20 30 CFEDMN N#Cc1cc(CN[C@H](CCO)c2cccs2)ccc1F ZINC000754388717 574093360 /nfs/dbraw/zinc/09/33/60/574093360.db2.gz QPLPMLLWCRDODT-CQSZACIVSA-N 0 1 290.363 2.972 20 30 CFEDMN Brc1ccc(N=NCc2cc[nH]c2)cn1 ZINC000745202725 574106648 /nfs/dbraw/zinc/10/66/48/574106648.db2.gz BDAHCTREFPIWCL-UHFFFAOYSA-N 0 1 265.114 2.618 20 30 CFEDMN Fc1ccc(NN=Cc2ccc3c(c2)CCO3)nc1 ZINC000731321682 574116849 /nfs/dbraw/zinc/11/68/49/574116849.db2.gz NRZSVHTYKNQJTH-UHFFFAOYSA-N 0 1 257.268 2.602 20 30 CFEDMN FC(F)CNN=Cc1ccccc1N1CCCCC1 ZINC000740617427 574127927 /nfs/dbraw/zinc/12/79/27/574127927.db2.gz JDIZRVCPDDWGBK-UHFFFAOYSA-N 0 1 267.323 2.866 20 30 CFEDMN Cc1ccc(-c2n[nH]cc2C=NNc2cc(C)ncn2)cc1 ZINC000731934603 574135071 /nfs/dbraw/zinc/13/50/71/574135071.db2.gz DONHYWWXDUVORQ-UHFFFAOYSA-N 0 1 292.346 2.930 20 30 CFEDMN Cc1ccc(CN=Nc2ccccc2S(C)(=O)=O)s1 ZINC000731932824 574135292 /nfs/dbraw/zinc/13/52/92/574135292.db2.gz CTNQEVGNZPGJFZ-UHFFFAOYSA-N 0 1 294.401 2.906 20 30 CFEDMN COc1cccc2cc(C=NN=c3cc(C)[nH]cn3)oc21 ZINC000731935134 574135786 /nfs/dbraw/zinc/13/57/86/574135786.db2.gz PFIOASUDESJWON-UHFFFAOYSA-N 0 1 282.303 2.986 20 30 CFEDMN CCCCCC[C@](C)(NC(=O)C(C)C#N)C(=O)OCC ZINC000746228688 574141172 /nfs/dbraw/zinc/14/11/72/574141172.db2.gz DHTAKWNCKKVZAG-DOMZBBRYSA-N 0 1 282.384 2.554 20 30 CFEDMN CC/C(=C\C(=O)NC1(C#N)CCN(C)CC1)c1ccccc1 ZINC000728960944 574142383 /nfs/dbraw/zinc/14/23/83/574142383.db2.gz QUAFVMYMAYSZPL-FYWRMAATSA-N 0 1 297.402 2.584 20 30 CFEDMN C[N@@H+](Cc1cccc(C#N)c1)[C@H](C(=O)[O-])c1ccc(F)cc1 ZINC000737487170 574144062 /nfs/dbraw/zinc/14/40/62/574144062.db2.gz IWJIJMSEQHLJIX-INIZCTEOSA-N 0 1 298.317 2.955 20 30 CFEDMN Oc1c(Cl)cccc1C=NOCc1cccnc1 ZINC000746588182 574156828 /nfs/dbraw/zinc/15/68/28/574156828.db2.gz LAOJIYWMZVRKRF-UHFFFAOYSA-N 0 1 262.696 2.991 20 30 CFEDMN CCn1cc(CN=Nc2ccc([N+](=O)[O-])cc2Cl)cn1 ZINC000732532542 574160286 /nfs/dbraw/zinc/16/02/86/574160286.db2.gz MBSWFDHSMOATDC-UHFFFAOYSA-N 0 1 293.714 2.911 20 30 CFEDMN COc1ccc(CNCc2n[nH]c3ccccc32)cc1C#N ZINC000746740615 574165399 /nfs/dbraw/zinc/16/53/99/574165399.db2.gz GKYXXKWPBWUGIS-UHFFFAOYSA-N 0 1 292.342 2.733 20 30 CFEDMN Oc1ccc(C=NNc2ccc(C(F)(F)F)cn2)nc1 ZINC000755489786 574165536 /nfs/dbraw/zinc/16/55/36/574165536.db2.gz XLLYGVODIMBNKJ-UHFFFAOYSA-N 0 1 282.225 2.647 20 30 CFEDMN C(=N[N-]c1cccc[nH+]1)c1cnc([C@H]2CCCO2)s1 ZINC000755520295 574167177 /nfs/dbraw/zinc/16/71/77/574167177.db2.gz VYQQYBVWVSOGSG-LLVKDONJSA-N 0 1 274.349 2.836 20 30 CFEDMN Fc1ccc(N=NCc2ccc3c[nH]nc3c2)nc1 ZINC000755705228 574179076 /nfs/dbraw/zinc/17/90/76/574179076.db2.gz GVYJEYOUALCEFP-UHFFFAOYSA-N 0 1 255.256 2.543 20 30 CFEDMN CC(C)(C)C[N@@H+](CCC#N)C[C@H]1CCCN(C(=O)[O-])C1 ZINC000738697580 574181165 /nfs/dbraw/zinc/18/11/65/574181165.db2.gz GVHRWYRUKVBCAO-CYBMUJFWSA-N 0 1 281.400 2.638 20 30 CFEDMN Cc1cc(NN=Cc2c[nH]nc2-c2ccccc2F)ncn1 ZINC000755728668 574181873 /nfs/dbraw/zinc/18/18/73/574181873.db2.gz UABDRGWLLULWNR-UHFFFAOYSA-N 0 1 296.309 2.760 20 30 CFEDMN Cc1csc(CN=Nc2cnnc3ccccc23)n1 ZINC000755733035 574182414 /nfs/dbraw/zinc/18/24/14/574182414.db2.gz BJCDOZSZWLFWGT-UHFFFAOYSA-N 0 1 269.333 2.841 20 30 CFEDMN COc1nc(Cl)c(C=NNc2cc(C)ccn2)s1 ZINC000755769270 574185669 /nfs/dbraw/zinc/18/56/69/574185669.db2.gz CIJQMYVXHIQGGX-UHFFFAOYSA-N 0 1 282.756 2.955 20 30 CFEDMN CC(=NNc1cc(Cl)nc(C)n1)c1ccoc1 ZINC000755891922 574194916 /nfs/dbraw/zinc/19/49/16/574194916.db2.gz OAXHGYNOGVQSKB-UHFFFAOYSA-N 0 1 250.689 2.868 20 30 CFEDMN N#CC(C(=O)[C@H]1CC12CCCC2)c1nnc2n1CCCCC2 ZINC000747479256 574197474 /nfs/dbraw/zinc/19/74/74/574197474.db2.gz KFNZXZWBKNUHBH-CHWSQXEVSA-N 0 1 298.390 2.761 20 30 CFEDMN CCC[N@@H+](Cc1cccc(C#N)c1)[C@H]1CCN(C(=O)[O-])C1 ZINC000739359394 574210123 /nfs/dbraw/zinc/21/01/23/574210123.db2.gz LBGKNFGBIGXHNI-HNNXBMFYSA-N 0 1 287.363 2.523 20 30 CFEDMN C#CCCCCCC(=O)N[C@@H](c1nnc[nH]1)c1ccccc1 ZINC000756126592 574211709 /nfs/dbraw/zinc/21/17/09/574211709.db2.gz YRHQJVQNJZJPQH-MRXNPFEDSA-N 0 1 296.374 2.594 20 30 CFEDMN C(=NNc1cnc2ccccc2n1)c1cnn2ccccc12 ZINC000729638772 574225616 /nfs/dbraw/zinc/22/56/16/574225616.db2.gz DQHVSSJTNKAJNU-UHFFFAOYSA-N 0 1 288.314 2.724 20 30 CFEDMN CCc1oc2ccccc2c1CN=Nc1nccn(C)c1=O ZINC000748079320 574227619 /nfs/dbraw/zinc/22/76/19/574227619.db2.gz GGKSDNJYMVJXML-UHFFFAOYSA-N 0 1 296.330 2.535 20 30 CFEDMN C=CCC[N@@H+]1CCC[C@H](NC(=O)OC(C)(C)C)C1 ZINC000739901423 574228303 /nfs/dbraw/zinc/22/83/03/574228303.db2.gz ASHBTIWPLBCTHZ-LBPRGKRZSA-N 0 1 254.374 2.552 20 30 CFEDMN C#CCN1CCC[C@@H]1COC(=O)CCc1ccc(C)cc1 ZINC000729809576 574233154 /nfs/dbraw/zinc/23/31/54/574233154.db2.gz LXWIWPKRMZHEOX-QGZVFWFLSA-N 0 1 285.387 2.568 20 30 CFEDMN C#CCN1CCC[C@H]1COC(=O)c1ccc(C)c(Cl)c1 ZINC000729811946 574233263 /nfs/dbraw/zinc/23/32/63/574233263.db2.gz HMJSHLRMLNWIAB-AWEZNQCLSA-N 0 1 291.778 2.903 20 30 CFEDMN COc1cccc(O)c1CNCc1ccc(C#N)cc1F ZINC000729854655 574234349 /nfs/dbraw/zinc/23/43/49/574234349.db2.gz DUZJNBDMCAHROS-UHFFFAOYSA-N 0 1 286.306 2.701 20 30 CFEDMN CCCNN=C(C)c1ccc(N2CCCC2)cc1O ZINC000748248259 574243277 /nfs/dbraw/zinc/24/32/77/574243277.db2.gz CAABHRCDOKJGSY-UHFFFAOYSA-N 0 1 261.369 2.716 20 30 CFEDMN C#CCN1CCC[C@@H]1COC(=O)c1ccc(OCC=C)cc1 ZINC000756541523 574244961 /nfs/dbraw/zinc/24/49/61/574244961.db2.gz CHLBGKKIMMCBPE-MRXNPFEDSA-N 0 1 299.370 2.506 20 30 CFEDMN C#CCN1CCC[C@H]1COC(=O)c1cccc(Cl)c1 ZINC000756546340 574245828 /nfs/dbraw/zinc/24/58/28/574245828.db2.gz ZQOZBWBYOVMYEH-AWEZNQCLSA-N 0 1 277.751 2.594 20 30 CFEDMN C#CCN1CCC[C@H]1COC(=O)[C@H](C)c1ccccc1F ZINC000756550149 574246405 /nfs/dbraw/zinc/24/64/05/574246405.db2.gz CJLPLGWTYPCVDP-KGLIPLIRSA-N 0 1 289.350 2.570 20 30 CFEDMN C#CCN1CCC[C@@H]1COC(=O)CCc1cccc(C)c1 ZINC000756554338 574246952 /nfs/dbraw/zinc/24/69/52/574246952.db2.gz YCZSTLHCEDOXEF-QGZVFWFLSA-N 0 1 285.387 2.568 20 30 CFEDMN N#Cc1ccc(O)c(NC(=O)c2ccc3c(c2)COC3)c1 ZINC000748412187 574251373 /nfs/dbraw/zinc/25/13/73/574251373.db2.gz LPCNJPUJJUJCHY-UHFFFAOYSA-N 0 1 280.283 2.546 20 30 CFEDMN C=CCCCC(=O)Nc1ccccc1N1CCN(C)CC1 ZINC000748520151 574256158 /nfs/dbraw/zinc/25/61/58/574256158.db2.gz WTWDFMPPGVKNSV-UHFFFAOYSA-N 0 1 287.407 2.733 20 30 CFEDMN Cc1nc[nH]c1C=NN=c1[nH]c2ccccc2s1 ZINC000755464886 574258362 /nfs/dbraw/zinc/25/83/62/574258362.db2.gz RZQJJSVNTAPIGR-UHFFFAOYSA-N 0 1 257.322 2.774 20 30 CFEDMN C#CCN1CCC(C(=O)N2CCCc3c(C)cccc32)CC1 ZINC000733944611 574264729 /nfs/dbraw/zinc/26/47/29/574264729.db2.gz KRPKGPOSGHKOFA-UHFFFAOYSA-N 0 1 296.414 2.619 20 30 CFEDMN C(=NNCCN1CCCCC1)c1nccc2ccccc21 ZINC000740761236 574266076 /nfs/dbraw/zinc/26/60/76/574266076.db2.gz ZRIUBTPMVCPKRC-UHFFFAOYSA-N 0 1 282.391 2.644 20 30 CFEDMN Oc1c(F)cc(C=NNc2ccncc2Cl)cc1F ZINC000756842356 574266699 /nfs/dbraw/zinc/26/66/99/574266699.db2.gz NTIHLZVFDJGVGP-UHFFFAOYSA-N 0 1 283.665 2.587 20 30 CFEDMN CCC(=NNc1ccncc1Cl)c1c(C)nn(C)c1C ZINC000756839806 574266907 /nfs/dbraw/zinc/26/69/07/574266907.db2.gz UCRLOCWRFGUPLV-UHFFFAOYSA-N 0 1 291.786 2.733 20 30 CFEDMN COc1ccc(CN=Nc2ccncc2Cl)cc1C ZINC000756840236 574267011 /nfs/dbraw/zinc/26/70/11/574267011.db2.gz UWPJAFZPGXPIHW-UHFFFAOYSA-N 0 1 275.739 2.920 20 30 CFEDMN CN1Cc2ccccc2[C@H](/N=C/c2cccc(O)c2O)C1 ZINC000756841164 574267297 /nfs/dbraw/zinc/26/72/97/574267297.db2.gz LNHKVMFNRZCBIY-QANDDYDISA-N 0 1 282.343 2.703 20 30 CFEDMN CC#CCOC(=O)c1ccc(-c2nnc(C3CC3)[nH]2)cc1 ZINC000748897155 574273543 /nfs/dbraw/zinc/27/35/43/574273543.db2.gz ITNDGQOLIULGJU-UHFFFAOYSA-N 0 1 281.315 2.529 20 30 CFEDMN C=CCOC(=O)c1ccc(-c2nnc(C3CC3)[nH]2)cc1 ZINC000748898239 574273552 /nfs/dbraw/zinc/27/35/52/574273552.db2.gz KZXZJJDTWVVIMZ-UHFFFAOYSA-N 0 1 269.304 2.692 20 30 CFEDMN C[C@H](C(=O)OCc1cccc(C#N)c1)N1[C@H](C)CC[C@H]1C ZINC000741015727 574277852 /nfs/dbraw/zinc/27/78/52/574277852.db2.gz DMSFQWGWXYAQAR-MGPQQGTHSA-N 0 1 286.375 2.863 20 30 CFEDMN N#Cc1cc(CN2CCC[C@@H]2C[C@H](O)c2ccco2)ccn1 ZINC000749522511 574299087 /nfs/dbraw/zinc/29/90/87/574299087.db2.gz BAGSBUYGBWSVPS-CVEARBPZSA-N 0 1 297.358 2.634 20 30 CFEDMN Cc1ncc2c(n1)CCC[C@H]2NCc1cccc(C#N)c1 ZINC000734851690 574304720 /nfs/dbraw/zinc/30/47/20/574304720.db2.gz GJIIYZYJNXYEMZ-MRXNPFEDSA-N 0 1 278.359 2.824 20 30 CFEDMN C[C@H](c1ccc(C#N)cc1)[N@H+]1CC[C@H](CN(C)C(=O)[O-])C1 ZINC000739054353 574333407 /nfs/dbraw/zinc/33/34/07/574333407.db2.gz QLLGCKYCUSSKOO-TZMCWYRMSA-N 0 1 287.363 2.551 20 30 CFEDMN Cc1cccc2nc([C@@H](C#N)C(=O)CC3CCOCC3)[nH]c21 ZINC000735789142 574335343 /nfs/dbraw/zinc/33/53/43/574335343.db2.gz KDHOABZUODWVGW-ZDUSSCGKSA-N 0 1 297.358 2.864 20 30 CFEDMN Cc1noc(C)c1[C@H](C)C(=O)C(C#N)c1cc(C)nc(C)n1 ZINC000750390616 574337525 /nfs/dbraw/zinc/33/75/25/574337525.db2.gz AIOXBQPRRNFRED-TVQRCGJNSA-N 0 1 298.346 2.678 20 30 CFEDMN CC(C)c1nc(-c2nn[n-]n2)c(N=NCC2CCCC2)o1 ZINC000735938889 574342502 /nfs/dbraw/zinc/34/25/02/574342502.db2.gz GOMXSINRQYRLTJ-UHFFFAOYSA-N 0 1 289.343 2.566 20 30 CFEDMN CC(C)c1nc(-c2nn[nH]n2)c(N=NCC2CCCC2)o1 ZINC000735938889 574342505 /nfs/dbraw/zinc/34/25/05/574342505.db2.gz GOMXSINRQYRLTJ-UHFFFAOYSA-N 0 1 289.343 2.566 20 30 CFEDMN Fc1ccc2c(c1)C(N=Nc1cccnn1)CCS2 ZINC000735977479 574346175 /nfs/dbraw/zinc/34/61/75/574346175.db2.gz ZOKAKONDYBHIBM-UHFFFAOYSA-N 0 1 274.324 2.928 20 30 CFEDMN C[C@H](C(=O)C(C#N)C(=O)NCc1ccccc1)C1CCCC1 ZINC000750684103 574351201 /nfs/dbraw/zinc/35/12/01/574351201.db2.gz MEKDCAHLXDDCNF-XJKSGUPXSA-N 0 1 298.386 2.838 20 30 CFEDMN C(=NNCCN1CCCCC1)c1ccccc1C1CC1 ZINC000751130741 574369838 /nfs/dbraw/zinc/36/98/38/574369838.db2.gz MTCGUYDRPYUHOR-UHFFFAOYSA-N 0 1 271.408 2.973 20 30 CFEDMN Cc1cc(C(C#N)C(=O)[C@H]2[C@@H]3CCCC[C@@H]32)nc(C)n1 ZINC000751152406 574370092 /nfs/dbraw/zinc/37/00/92/574370092.db2.gz JXVDSFJHDWVAGQ-COMQUAJESA-N 0 1 269.348 2.706 20 30 CFEDMN COC(=O)c1ccccc1C=NNc1ccccc1[N+](=O)[O-] ZINC000751338968 574374779 /nfs/dbraw/zinc/37/47/79/574374779.db2.gz ZAHCWOAKFAKWSF-UHFFFAOYSA-N 0 1 299.286 2.827 20 30 CFEDMN N#CCOc1ccccc1C(=O)Nc1ccc2nc[nH]c2c1 ZINC000743936851 574375603 /nfs/dbraw/zinc/37/56/03/574375603.db2.gz GNSUOENRNIWCKY-UHFFFAOYSA-N 0 1 292.298 2.718 20 30 CFEDMN COc1cc(C)c(C=NNc2ccccn2)cc1OC ZINC000751523029 574378269 /nfs/dbraw/zinc/37/82/69/574378269.db2.gz SPIZOYRUBOLONE-UHFFFAOYSA-N 0 1 271.320 2.853 20 30 CFEDMN Cn1c2ccccc2nc1C(C#N)C(=O)CCOCC1CC1 ZINC000751824116 574383350 /nfs/dbraw/zinc/38/33/50/574383350.db2.gz YCYWDMQVMVSBSJ-CYBMUJFWSA-N 0 1 297.358 2.566 20 30 CFEDMN C=CCCCCCN(C)CN1CC2(CC1=O)CCOCC2 ZINC000753099579 574398487 /nfs/dbraw/zinc/39/84/87/574398487.db2.gz CHRPYIUVGZVEFO-UHFFFAOYSA-N 0 1 294.439 2.651 20 30 CFEDMN CC[N@@H+](Cc1ccc(C(=O)[O-])c(F)c1)C[C@H](C)C#N ZINC000233466862 601620667 /nfs/dbraw/zinc/62/06/67/601620667.db2.gz NWTWTUJRDKALFE-SNVBAGLBSA-N 0 1 264.300 2.505 20 30 CFEDMN CC[N@H+](Cc1ccc(C(=O)[O-])c(F)c1)C[C@H](C)C#N ZINC000233466862 601620668 /nfs/dbraw/zinc/62/06/68/601620668.db2.gz NWTWTUJRDKALFE-SNVBAGLBSA-N 0 1 264.300 2.505 20 30 CFEDMN O=C([C@H]1CCN1C1CCCC1)N(O)Cc1ccc(F)cc1 ZINC000900095377 620636933 /nfs/dbraw/zinc/63/69/33/620636933.db2.gz AVTFSNJNILCZIS-OAHLLOKOSA-N 0 1 292.354 2.560 20 30 CFEDMN CC(C)(C)c1cc(C(=O)N(O)Cc2ccc(F)cc2)[nH]n1 ZINC000900095401 620636953 /nfs/dbraw/zinc/63/69/53/620636953.db2.gz BSKJXUFCWKZMPM-UHFFFAOYSA-N 0 1 291.326 2.878 20 30 CFEDMN C[C@@H](c1ccc(C#N)cc1)[N@H+]1CCC[C@@H](CC(=O)[O-])C1 ZINC000226421183 597081692 /nfs/dbraw/zinc/08/16/92/597081692.db2.gz GQNRXULVHHHQPI-JSGCOSHPSA-N 0 1 272.348 2.806 20 30 CFEDMN C=CCN1CCC[C@H](NC(=O)C[C@H]2CCC(F)(F)C2)C1 ZINC001007461000 651135596 /nfs/dbraw/zinc/13/55/96/651135596.db2.gz VWGVHTAIHGXLHG-OLZOCXBDSA-N 0 1 286.366 2.579 20 30 CFEDMN C[N@@H+](Cc1ccccc1O)[C@@H](C(=O)[O-])c1cccc(C#N)c1 ZINC000830860211 601316931 /nfs/dbraw/zinc/31/69/31/601316931.db2.gz ONCKSXBEXAEWNB-MRXNPFEDSA-N 0 1 296.326 2.522 20 30 CFEDMN C[C@@H]1C[N@@H+]([C@H](C(=O)[O-])c2cccc(C#N)c2)C[C@H](C)S1 ZINC000828414383 601321580 /nfs/dbraw/zinc/32/15/80/601321580.db2.gz YRONXIXEXRGRPA-WDMOLILDSA-N 0 1 290.388 2.510 20 30 CFEDMN CC1(C)C[N@H+]([C@@H](C(=O)[O-])c2ccc(C#N)cc2)CCS1 ZINC000828074993 601328679 /nfs/dbraw/zinc/32/86/79/601328679.db2.gz YKKNGESWLOFVCU-CYBMUJFWSA-N 0 1 290.388 2.511 20 30 CFEDMN C#C[C@@H](CC)NC(=O)c1cccc2nc(C(F)F)[nH]c21 ZINC000935630631 649924524 /nfs/dbraw/zinc/92/45/24/649924524.db2.gz LHWXTBATIZNDFT-QMMMGPOBSA-N 0 1 277.274 2.642 20 30 CFEDMN C[C@@H](c1ccc(C#N)cc1)[N@H+]1CCSC[C@H]1CC(=O)[O-] ZINC000251780794 601919547 /nfs/dbraw/zinc/91/95/47/601919547.db2.gz SQFYXHJWFPZAFZ-SMDDNHRTSA-N 0 1 290.388 2.511 20 30 CFEDMN N#Cc1ccc([C@@H](C(=O)[O-])[N@H+]2CCC3(CCC3)C2)cc1 ZINC000833071847 602240621 /nfs/dbraw/zinc/24/06/21/602240621.db2.gz LVBFUDZCGJRJDK-AWEZNQCLSA-N 0 1 270.332 2.560 20 30 CFEDMN C[N@H+](Cc1cc(F)ccc1C#N)[C@H](C(=O)[O-])c1ccccc1 ZINC000830806950 602327226 /nfs/dbraw/zinc/32/72/26/602327226.db2.gz ZMCKJVFWMJHVFS-INIZCTEOSA-N 0 1 298.317 2.955 20 30 CFEDMN C[N@@H+](Cc1cc(F)ccc1C#N)[C@H](C(=O)[O-])c1ccccc1 ZINC000830806950 602327229 /nfs/dbraw/zinc/32/72/29/602327229.db2.gz ZMCKJVFWMJHVFS-INIZCTEOSA-N 0 1 298.317 2.955 20 30 CFEDMN C[C@H](c1ccc(C#N)cc1)[N@@H+](C)CC(C)(C)CNC(=O)[O-] ZINC000825622427 603627581 /nfs/dbraw/zinc/62/75/81/603627581.db2.gz CMUGXTNLNMDZKE-GFCCVEGCSA-N 0 1 289.379 2.845 20 30 CFEDMN C#CCN(C(=O)[C@H]1C[C@H](C)Cc2c[nH]nc21)C1CCCCC1 ZINC000900413384 620672208 /nfs/dbraw/zinc/67/22/08/620672208.db2.gz WESULJYUQAUPKJ-CJNGLKHVSA-N 0 1 299.418 2.870 20 30 CFEDMN C/C(=C\C[N@@H+]1CC=C(c2ccc(C#N)cc2)CC1)C(=O)[O-] ZINC000833383489 604491204 /nfs/dbraw/zinc/49/12/04/604491204.db2.gz NZZHNMUGSZWRLL-AWNIVKPZSA-N 0 1 282.343 2.678 20 30 CFEDMN C[C@@H]1CC[C@@H](C)[N@@H+](Cc2cccc(C(=O)[O-])c2C#N)C1 ZINC000833602032 604609294 /nfs/dbraw/zinc/60/92/94/604609294.db2.gz HFPLGLXETZAPDK-VXGBXAGGSA-N 0 1 272.348 2.877 20 30 CFEDMN CC(C)(C#N)c1ccccc1C[N@H+]1CCCC[C@@H]1C(=O)[O-] ZINC000819901864 604674331 /nfs/dbraw/zinc/67/43/31/604674331.db2.gz ZQWGLOFBOFNBBI-OAHLLOKOSA-N 0 1 286.375 2.927 20 30 CFEDMN C=CC[N@H+](CCc1ccco1)CC1CCN(C(=O)[O-])CC1 ZINC000833787992 605561346 /nfs/dbraw/zinc/56/13/46/605561346.db2.gz JZUOLYCFTBZGPE-UHFFFAOYSA-N 0 1 292.379 2.700 20 30 CFEDMN C#CCCCCC(=O)OC[C@@H]1CCN1Cc1ccccc1 ZINC000851467727 634382262 /nfs/dbraw/zinc/38/22/62/634382262.db2.gz CCTZNDOEJCHVNH-KRWDZBQOSA-N 0 1 285.387 2.998 20 30 CFEDMN C=C(C)C[N@H+](CC)Cc1cc(C(=O)[O-])ccc1F ZINC000382507345 605829063 /nfs/dbraw/zinc/82/90/63/605829063.db2.gz YSBSUTUBANBTHC-UHFFFAOYSA-N 0 1 251.301 2.922 20 30 CFEDMN CC(C)(C#N)CCC[N@H+]1CCCCC[C@@H]1C(=O)[O-] ZINC000087600124 605846898 /nfs/dbraw/zinc/84/68/98/605846898.db2.gz ZLHXVHOTTVTQBC-GFCCVEGCSA-N 0 1 252.358 2.646 20 30 CFEDMN C#CCCN1CCCN(C(=O)c2sc(C)cc2C)CC1 ZINC000981251289 613007350 /nfs/dbraw/zinc/00/73/50/613007350.db2.gz YEKKHEGKXCFNAF-UHFFFAOYSA-N 0 1 290.432 2.536 20 30 CFEDMN C#CCCN1C[C@@H](NC(=O)C2(F)CCCCC2)C(C)(C)C1 ZINC000977418274 613031023 /nfs/dbraw/zinc/03/10/23/613031023.db2.gz JRMNOGXNRIVHTF-CQSZACIVSA-N 0 1 294.414 2.509 20 30 CFEDMN C#CCCN1C[C@H](NC(=O)c2ccc(C)s2)C(C)(C)C1 ZINC000972765324 613038392 /nfs/dbraw/zinc/03/83/92/613038392.db2.gz IECIHSRMUPHNHY-AWEZNQCLSA-N 0 1 290.432 2.520 20 30 CFEDMN C#CCN(C)[C@@H]1CCN(C(=O)c2ccccc2C2CCC2)C1 ZINC000980287411 613087161 /nfs/dbraw/zinc/08/71/61/613087161.db2.gz YQFMDIRFAPUWJM-MRXNPFEDSA-N 0 1 296.414 2.734 20 30 CFEDMN C#CCN(C)[C@H]1CCN(C(=O)c2ccccc2C2(C)CC2)C1 ZINC000972317911 613095742 /nfs/dbraw/zinc/09/57/42/613095742.db2.gz RQNSNKZAIMZWPS-HNNXBMFYSA-N 0 1 296.414 2.518 20 30 CFEDMN C#CCN1CC[C@@H](NC(=O)[C@@H]2CCCC2(C)C)C(C)(C)C1 ZINC000940962233 613228736 /nfs/dbraw/zinc/22/87/36/613228736.db2.gz WGLKPWVORBYEFI-LSDHHAIUSA-N 0 1 290.451 2.663 20 30 CFEDMN C#CCN1CC[C@@H](NC(=O)c2cc3ccccc3o2)[C@H](C)C1 ZINC000944632369 613233856 /nfs/dbraw/zinc/23/38/56/613233856.db2.gz BAULMZOKDTWPKL-UKRRQHHQSA-N 0 1 296.370 2.506 20 30 CFEDMN C#CCN1CC[C@@H](NC(=O)c2cc3ccccc3o2)C[C@@H]1C ZINC000948002814 613233970 /nfs/dbraw/zinc/23/39/70/613233970.db2.gz WTUSEPONRUPYTL-DZGCQCFKSA-N 0 1 296.370 2.649 20 30 CFEDMN C=C(C)CCN1CCN(C(=O)[C@@H](C)C2CCCC2)CC1 ZINC000957283982 613258404 /nfs/dbraw/zinc/25/84/04/613258404.db2.gz HSIJRVQQZSQPMJ-HNNXBMFYSA-N 0 1 278.440 2.923 20 30 CFEDMN C=C(C)CCN1CCN(C(=O)C[C@H](C)c2ccco2)CC1 ZINC000957353552 613258711 /nfs/dbraw/zinc/25/87/11/613258711.db2.gz FJVDKUPBPLGBTR-HNNXBMFYSA-N 0 1 290.407 2.884 20 30 CFEDMN C#CCN1CC[C@H](NC(=O)C[C@@H]2CC=CCC2)C(C)(C)C1 ZINC000940950342 613259336 /nfs/dbraw/zinc/25/93/36/613259336.db2.gz KMLWCKPFZVSAQQ-CVEARBPZSA-N 0 1 288.435 2.583 20 30 CFEDMN C=C(C)CCN1CCN(C(=O)[C@@H]2C[C@H]2CCC)CC1 ZINC000950385681 613259954 /nfs/dbraw/zinc/25/99/54/613259954.db2.gz GIXRDEDWBCTJHB-HUUCEWRRSA-N 0 1 264.413 2.533 20 30 CFEDMN C=C(C)CCN1CCN(C(=O)[C@H]2CCC[C@@H](C)C2)CC1 ZINC000949929320 613260416 /nfs/dbraw/zinc/26/04/16/613260416.db2.gz AFZGCCJHZOYOED-CVEARBPZSA-N 0 1 278.440 2.923 20 30 CFEDMN C=C(C)CCN1CCN(C(=O)c2cc(C)ccc2F)CC1 ZINC000950725386 613261021 /nfs/dbraw/zinc/26/10/21/613261021.db2.gz JPUGJSIVIWSGDY-UHFFFAOYSA-N 0 1 290.382 2.858 20 30 CFEDMN C#CCN1CC[C@H](NC(=O)c2cc(Cl)cs2)C[C@@H]1C ZINC000947774967 613266388 /nfs/dbraw/zinc/26/63/88/613266388.db2.gz JIFPVHZVMWHDSQ-JQWIXIFHSA-N 0 1 296.823 2.617 20 30 CFEDMN C#CCN1CC[C@H](NC(=O)c2ccccc2Cl)C[C@H]1C ZINC000947958591 613271703 /nfs/dbraw/zinc/27/17/03/613271703.db2.gz RICMPQCKTWHKKP-OLZOCXBDSA-N 0 1 290.794 2.556 20 30 CFEDMN C#CCN1C[C@H](NC(=O)[C@@H]2CCCCC2(C)C)C(C)(C)C1 ZINC000977635096 613297986 /nfs/dbraw/zinc/29/79/86/613297986.db2.gz KLVUCMIVDOCQCR-GJZGRUSLSA-N 0 1 290.451 2.663 20 30 CFEDMN C=C(C)CN1CC([C@@H](C)NC(=O)c2ccoc2Cl)C1 ZINC000969561459 613300687 /nfs/dbraw/zinc/30/06/87/613300687.db2.gz OOTAHMMMMCFKHK-SNVBAGLBSA-N 0 1 282.771 2.559 20 30 CFEDMN C=C(C)CN1CCCCC[C@@H]1CNC(=O)c1ccns1 ZINC000968879280 613306569 /nfs/dbraw/zinc/30/65/69/613306569.db2.gz CWXIBISZGQTNHS-CYBMUJFWSA-N 0 1 293.436 2.694 20 30 CFEDMN C=C(C)CN1CCCN(C(=O)[C@@H]2CCC2(C)C)CC1 ZINC000981792000 613309693 /nfs/dbraw/zinc/30/96/93/613309693.db2.gz BXRTYRXVZPTOBZ-AWEZNQCLSA-N 0 1 264.413 2.533 20 30 CFEDMN C=C(C)CN1CCCN(C(=O)[C@@H]2C[C@H]2C2CCCC2)CC1 ZINC000983227596 613310351 /nfs/dbraw/zinc/31/03/51/613310351.db2.gz WUXFJEBVVCZHNM-DLBZAZTESA-N 0 1 290.451 2.923 20 30 CFEDMN C=C(C)CN1CCCN(C(=O)c2cc3ccccn3c2)CC1 ZINC000982072428 613311897 /nfs/dbraw/zinc/31/18/97/613311897.db2.gz WOFFMLJQPAENGJ-UHFFFAOYSA-N 0 1 297.402 2.663 20 30 CFEDMN C=C(C)CN1CC[C@@H](C)[C@H](NC(=O)c2c(C)coc2C)C1 ZINC000965984448 613325193 /nfs/dbraw/zinc/32/51/93/613325193.db2.gz DOLBJPBFUCIIAY-IUODEOHRSA-N 0 1 290.407 2.913 20 30 CFEDMN C=C(C)CN1CC[C@@H](C)[C@H](NC(=O)c2occc2C)C1 ZINC000965176324 613326603 /nfs/dbraw/zinc/32/66/03/613326603.db2.gz IZEONEPAJFFALC-TZMCWYRMSA-N 0 1 276.380 2.604 20 30 CFEDMN C=C(C)CN1CC[C@H](C)[C@@H](NC(=O)c2ccc(C)o2)C1 ZINC000964908122 613332996 /nfs/dbraw/zinc/33/29/96/613332996.db2.gz UJZDBKZOQTYBCP-JSGCOSHPSA-N 0 1 276.380 2.604 20 30 CFEDMN C=C(C)CN1C[C@@H](NC(=O)c2cc(C)c(C)o2)C(C)(C)C1 ZINC000973039940 613338607 /nfs/dbraw/zinc/33/86/07/613338607.db2.gz OGBWBSRYMOVTNB-OAHLLOKOSA-N 0 1 290.407 2.913 20 30 CFEDMN C=C(Cl)CN1CC[C@H]([C@H]2CCCN(C(=O)C(C)C)C2)C1 ZINC000961135143 613379543 /nfs/dbraw/zinc/37/95/43/613379543.db2.gz IXOSDPADACMOMU-GJZGRUSLSA-N 0 1 298.858 2.955 20 30 CFEDMN C=C(Cl)CN[C@@H]1CCN(C(=O)CCc2ccccc2)C1 ZINC000970554783 613384658 /nfs/dbraw/zinc/38/46/58/613384658.db2.gz IMIOBSCSUQYZLC-OAHLLOKOSA-N 0 1 292.810 2.562 20 30 CFEDMN C=C(Cl)CN[C@@H]1CCN(C(=O)c2c(C)oc(C)c2C)C1 ZINC000969257358 613385422 /nfs/dbraw/zinc/38/54/22/613385422.db2.gz BDSCWEHAYBHYNM-CYBMUJFWSA-N 0 1 296.798 2.761 20 30 CFEDMN C=C(Cl)CN[C@@H]1CCN(C(=O)c2cc[nH]c2C(C)C)C1 ZINC000969663684 613385552 /nfs/dbraw/zinc/38/55/52/613385552.db2.gz DBFBYKWZVGCQBU-GFCCVEGCSA-N 0 1 295.814 2.695 20 30 CFEDMN C=C(Cl)CN[C@@H]1CCN(C(=O)c2sccc2C)C1 ZINC000966317589 613386317 /nfs/dbraw/zinc/38/63/17/613386317.db2.gz IAFWKIXFHNFGGT-LLVKDONJSA-N 0 1 284.812 2.613 20 30 CFEDMN C=C(Cl)CN[C@@H]1CN(C(=O)c2csc(C)c2)C[C@H]1C ZINC000939308597 613386425 /nfs/dbraw/zinc/38/64/25/613386425.db2.gz QNKSCEGTLRKHGQ-NOZJJQNGSA-N 0 1 298.839 2.859 20 30 CFEDMN C=C(Cl)CN[C@H]1CN(C(=O)C2(C(C)C)CC2)C[C@H]1C ZINC000939091069 613386863 /nfs/dbraw/zinc/38/68/63/613386863.db2.gz FBPFAQLJVOXZON-YPMHNXCESA-N 0 1 284.831 2.612 20 30 CFEDMN C=CC(C)(C)C(=O)N1CC2(C1)CCCN(C/C=C\Cl)C2 ZINC000981933942 613429417 /nfs/dbraw/zinc/42/94/17/613429417.db2.gz ZWOFESBULJZWLH-VURMDHGXSA-N 0 1 296.842 2.876 20 30 CFEDMN C=CC(C)(C)C(=O)N1CCN(CCCC2CCC2)CC1 ZINC000949666749 613433360 /nfs/dbraw/zinc/43/33/60/613433360.db2.gz BIQCODAONDPMLI-UHFFFAOYSA-N 0 1 278.440 2.923 20 30 CFEDMN C=C[C@](C)(CC)C(=O)N1CCN(C[C@@H](C)CC)CC1 ZINC000950051837 613502182 /nfs/dbraw/zinc/50/21/82/613502182.db2.gz WSYOQQYYYZXDBC-GOEBONIOSA-N 0 1 266.429 2.779 20 30 CFEDMN C=CCCN1CCN(C(=O)C2(C3CCC3)CCC2)CC1 ZINC000949512720 613502275 /nfs/dbraw/zinc/50/22/75/613502275.db2.gz CTPFODIKHMAXHD-UHFFFAOYSA-N 0 1 276.424 2.677 20 30 CFEDMN C=CCCN1CCN(C(=O)C(C)(C)C(C)(C)C)CC1 ZINC000949670736 613502282 /nfs/dbraw/zinc/50/22/82/613502282.db2.gz UIRFRUXEHZQQNN-UHFFFAOYSA-N 0 1 266.429 2.779 20 30 CFEDMN C=CCCN1CCN(C(=O)[C@@H](C)c2cccc(F)c2)CC1 ZINC000957715308 613505561 /nfs/dbraw/zinc/50/55/61/613505561.db2.gz HUAJEAUBAHALFU-AWEZNQCLSA-N 0 1 290.382 2.650 20 30 CFEDMN C=CCCN1CCN(C(=O)[C@@H]2CCC(C)(C)C2)CC1 ZINC000950359468 613506093 /nfs/dbraw/zinc/50/60/93/613506093.db2.gz HAQMZIRCYOFOFH-CQSZACIVSA-N 0 1 264.413 2.533 20 30 CFEDMN C=CCCN1CCN(C(=O)[C@@H]2CCCC2(C)C)CC1 ZINC000949728634 613506172 /nfs/dbraw/zinc/50/61/72/613506172.db2.gz CPKBXNDJOWUSSO-AWEZNQCLSA-N 0 1 264.413 2.533 20 30 CFEDMN C=CCCN1CCN(C(=O)[C@@H]2C[C@@]2(CC)C(C)C)CC1 ZINC000956971146 613506681 /nfs/dbraw/zinc/50/66/81/613506681.db2.gz UKOICMLTSKINFC-RDJZCZTQSA-N 0 1 278.440 2.779 20 30 CFEDMN CC#CCN1CC([C@H](C)NC(=O)c2ccc3occc3c2)C1 ZINC000969724614 613538586 /nfs/dbraw/zinc/53/85/86/613538586.db2.gz GDTDEPIALUSIPQ-ZDUSSCGKSA-N 0 1 296.370 2.506 20 30 CFEDMN CC#CCN1CCCC2(CN(C(=O)CC3CCCC3)C2)C1 ZINC000981593219 613541829 /nfs/dbraw/zinc/54/18/29/613541829.db2.gz SYBFAFATLLKPAT-UHFFFAOYSA-N 0 1 288.435 2.514 20 30 CFEDMN CC#CCN1CCCCC[C@@H]1CNC(=O)c1ccsc1 ZINC000968744931 613544923 /nfs/dbraw/zinc/54/49/23/613544923.db2.gz QLKXEJKDMSBEBB-OAHLLOKOSA-N 0 1 290.432 2.746 20 30 CFEDMN CC#CCN1CC[C@@H](C)[C@@H](NC(=O)c2cc(C)cc(C)c2)C1 ZINC000968588594 613572296 /nfs/dbraw/zinc/57/22/96/613572296.db2.gz MMONCHBBCTVKCC-AEFFLSMTSA-N 0 1 298.430 2.767 20 30 CFEDMN CC#CCN1CC[C@@H](C)[C@@H](NC(=O)c2ccc(C)cc2C)C1 ZINC000968601328 613572533 /nfs/dbraw/zinc/57/25/33/613572533.db2.gz BKKPAESCTONSES-QAPCUYQASA-N 0 1 298.430 2.767 20 30 CFEDMN CC#CCN1CC[C@H](C)[C@@H](NC(=O)c2cccc(C)c2C)C1 ZINC000968607391 613591189 /nfs/dbraw/zinc/59/11/89/613591189.db2.gz SQFPNBXILVIGOM-YJBOKZPZSA-N 0 1 298.430 2.767 20 30 CFEDMN CC#CCN1CC[C@H](C)[C@H](NC(=O)C2=CCCCCC2)C1 ZINC000965945856 613593088 /nfs/dbraw/zinc/59/30/88/613593088.db2.gz CIWVMLSJMYPWBH-DOTOQJQBSA-N 0 1 288.435 2.727 20 30 CFEDMN CC#CCN1C[C@@H](NC(=O)CC2=CCCCC2)C(C)(C)C1 ZINC000972967207 613608421 /nfs/dbraw/zinc/60/84/21/613608421.db2.gz DZUKGKOFWFPORG-MRXNPFEDSA-N 0 1 288.435 2.727 20 30 CFEDMN C=CCN1CC([C@@H](C)NC(=O)C2CCC(C3CC3)CC2)C1 ZINC000970821578 613662246 /nfs/dbraw/zinc/66/22/46/613662246.db2.gz RTVCYOFWWMNAJD-IUDNXUCKSA-N 0 1 290.451 2.825 20 30 CFEDMN C=CCN1CC([C@@H](C)NC(=O)c2c(C)cc(C)cc2C)C1 ZINC000970850035 613663635 /nfs/dbraw/zinc/66/36/35/613663635.db2.gz XCYOGIFEHLWONJ-OAHLLOKOSA-N 0 1 286.419 2.848 20 30 CFEDMN C=CCN1CC([C@@H](C)NC(=O)c2ccc(C(F)F)cc2)C1 ZINC000970593419 613664602 /nfs/dbraw/zinc/66/46/02/613664602.db2.gz LOCXIFKNLBRYBM-LLVKDONJSA-N 0 1 294.345 2.860 20 30 CFEDMN C=CCN1CC([C@@H](C)NC(=O)c2cc3ccc(C)cc3[nH]2)C1 ZINC000970232761 613664654 /nfs/dbraw/zinc/66/46/54/613664654.db2.gz XCNFOWQTSFQHRZ-CYBMUJFWSA-N 0 1 297.402 2.712 20 30 CFEDMN C=CCN1CC([C@@H](C)NC(=O)c2ccc(C)c(C)c2)C1 ZINC000970836905 613665127 /nfs/dbraw/zinc/66/51/27/613665127.db2.gz BICMPKMHAIYEEZ-CQSZACIVSA-N 0 1 272.392 2.540 20 30 CFEDMN C=CCN1CC([C@@H](C)NC(=O)c2cccc(C)c2C)C1 ZINC000970830907 613665978 /nfs/dbraw/zinc/66/59/78/613665978.db2.gz WHRWWMZROZPXHA-CQSZACIVSA-N 0 1 272.392 2.540 20 30 CFEDMN C=CCN1CC([C@@H](C)NC(=O)c2sccc2CC)C1 ZINC000970921039 613668389 /nfs/dbraw/zinc/66/83/89/613668389.db2.gz OPDAMZMXCBGTEN-LLVKDONJSA-N 0 1 278.421 2.547 20 30 CFEDMN C=CCN1CC([C@H](C)NC(=O)[C@@H]2CCCc3ccccc32)C1 ZINC000969960398 613668663 /nfs/dbraw/zinc/66/86/63/613668663.db2.gz FAIMGMIGDZLQFN-KBXCAEBGSA-N 0 1 298.430 2.729 20 30 CFEDMN C=CCN1CC([C@H](C)NC(=O)c2cc(CC)c(C)s2)C1 ZINC000970844907 613671121 /nfs/dbraw/zinc/67/11/21/613671121.db2.gz BTUREPXXIAHXHX-NSHDSACASA-N 0 1 292.448 2.855 20 30 CFEDMN C=CCN1CC([C@H](C)NC(=O)c2ccccc2C2(C)CC2)C1 ZINC000970415259 613672201 /nfs/dbraw/zinc/67/22/01/613672201.db2.gz UHLYQCUMHVSYST-AWEZNQCLSA-N 0 1 298.430 2.974 20 30 CFEDMN C=CCN1CCCCC[C@H]1CNC(=O)c1scnc1C ZINC000968759279 613687362 /nfs/dbraw/zinc/68/73/62/613687362.db2.gz YTZNYKXYSSYOAA-ZDUSSCGKSA-N 0 1 293.436 2.612 20 30 CFEDMN C=CCN1CCCN(C(=O)C2CCC3(CC3)CC2)CC1 ZINC000981629148 613688381 /nfs/dbraw/zinc/68/83/81/613688381.db2.gz DQAJTNVNOHHHFG-UHFFFAOYSA-N 0 1 276.424 2.677 20 30 CFEDMN C=CCN1CCCN(C(=O)[C@@H]2CCC[C@H]2CC)CC1 ZINC000981895810 613691576 /nfs/dbraw/zinc/69/15/76/613691576.db2.gz UXIWWSPJEIEYLI-HUUCEWRRSA-N 0 1 264.413 2.533 20 30 CFEDMN C=CCN1CCCN(C(=O)[C@@H]2CCCC[C@H]2C)CC1 ZINC000981841365 613691770 /nfs/dbraw/zinc/69/17/70/613691770.db2.gz LGKIGIABQMSBGZ-HUUCEWRRSA-N 0 1 264.413 2.533 20 30 CFEDMN C=CCN1CCCN(C(=O)[C@@H]2C[C@@H]2C2CCCC2)CC1 ZINC000983198518 613693068 /nfs/dbraw/zinc/69/30/68/613693068.db2.gz PREURKSSGFELRC-HZPDHXFCSA-N 0 1 276.424 2.533 20 30 CFEDMN C=CCN1CCCN(C(=O)[C@H](C)c2ccccc2F)CC1 ZINC000982265878 613693312 /nfs/dbraw/zinc/69/33/12/613693312.db2.gz LNFVCEYQNFKMPL-CQSZACIVSA-N 0 1 290.382 2.650 20 30 CFEDMN C=CCN1CCCN(C(=O)c2c(C)cccc2Cl)CC1 ZINC000981876491 613695259 /nfs/dbraw/zinc/69/52/59/613695259.db2.gz RWEHEIYPWBKZDL-UHFFFAOYSA-N 0 1 292.810 2.982 20 30 CFEDMN C=CCN1CCCN(C(=O)c2cc(Cl)ccc2C)CC1 ZINC000982265601 613696241 /nfs/dbraw/zinc/69/62/41/613696241.db2.gz CLCAESJPYIOACV-UHFFFAOYSA-N 0 1 292.810 2.982 20 30 CFEDMN C=CCN1CCCN(C(=O)c2cc(C)cc(Cl)c2)CC1 ZINC000981623086 613696656 /nfs/dbraw/zinc/69/66/56/613696656.db2.gz NTNDQDSYHLGGBZ-UHFFFAOYSA-N 0 1 292.810 2.982 20 30 CFEDMN C=CCN1CCCN(C(=O)c2ccc(C=C)cc2)CC1 ZINC000982016305 613697405 /nfs/dbraw/zinc/69/74/05/613697405.db2.gz XXLRKGWYABFCBB-UHFFFAOYSA-N 0 1 270.376 2.664 20 30 CFEDMN C=CCN1CC[C@@H](C)[C@@H](NC(=O)c2ccc(C)c(C)c2)C1 ZINC000968607264 613729664 /nfs/dbraw/zinc/72/96/64/613729664.db2.gz QLICTEKQBBZTLE-PBHICJAKSA-N 0 1 286.419 2.930 20 30 CFEDMN C=CCN1CC[C@@H](C)[C@H](NC(=O)c2cc(C)cc(C)c2)C1 ZINC000968587655 613733647 /nfs/dbraw/zinc/73/36/47/613733647.db2.gz DLPVVSHTVCBQQD-NVXWUHKLSA-N 0 1 286.419 2.930 20 30 CFEDMN C=CCN1CC[C@@H](C)[C@H](NC(=O)c2cc3ccccc3[nH]2)C1 ZINC000968627624 613734572 /nfs/dbraw/zinc/73/45/72/613734572.db2.gz KLUQJRRUTPMEMN-CXAGYDPISA-N 0 1 297.402 2.794 20 30 CFEDMN C=CCN1CC[C@@H](C)[C@H](NC(=O)c2ccc(F)c(C)c2)C1 ZINC000968060675 613734635 /nfs/dbraw/zinc/73/46/35/613734635.db2.gz PXAXDWYHFUHYAR-MLGOLLRUSA-N 0 1 290.382 2.760 20 30 CFEDMN C=CCN1CC[C@@H](C)[C@H](NC(=O)c2ccc(C)c(C)c2)C1 ZINC000968607265 613734655 /nfs/dbraw/zinc/73/46/55/613734655.db2.gz QLICTEKQBBZTLE-RHSMWYFYSA-N 0 1 286.419 2.930 20 30 CFEDMN C=CCN1CC[C@@H](C)[C@H](NC(=O)c2cccc(F)c2F)C1 ZINC000968061498 613735001 /nfs/dbraw/zinc/73/50/01/613735001.db2.gz SMASOZNEYMQPSA-BXUZGUMPSA-N 0 1 294.345 2.591 20 30 CFEDMN C=CCN1CC[C@@H](C)[C@H](NC(=O)c2cccnc2C2CC2)C1 ZINC000967227986 613735715 /nfs/dbraw/zinc/73/57/15/613735715.db2.gz GPDQNBLCWQVEOX-CZUORRHYSA-N 0 1 299.418 2.585 20 30 CFEDMN C=CCN1CC[C@H](C)[C@@H](NC(=O)c2ccc(F)cc2C)C1 ZINC000968569067 613769232 /nfs/dbraw/zinc/76/92/32/613769232.db2.gz HDVWNXQBANQDAI-LRDDRELGSA-N 0 1 290.382 2.760 20 30 CFEDMN C=CCN1CC[C@H](C)[C@H](NC(=O)CC2=CCCCC2)C1 ZINC000965601639 613772016 /nfs/dbraw/zinc/77/20/16/613772016.db2.gz XRZRSRRAGSMYAU-GOEBONIOSA-N 0 1 276.424 2.890 20 30 CFEDMN C=CCN1CC[C@H](C)[C@H](NC(=O)c2c(C)oc(C)c2C)C1 ZINC000967282921 613772472 /nfs/dbraw/zinc/77/24/72/613772472.db2.gz CXYCUVLACGIJNU-XHDPSFHLSA-N 0 1 290.407 2.831 20 30 CFEDMN C=CCN1CC[C@H](C)[C@H](NC(=O)c2ccc3cc[nH]c3c2)C1 ZINC000968364020 613774244 /nfs/dbraw/zinc/77/42/44/613774244.db2.gz CNEHLLQNVWRDEX-SUMWQHHRSA-N 0 1 297.402 2.794 20 30 CFEDMN C=CCN1C[C@@H](NC(=O)C2CC3(CCC3)C2)C(C)(C)C1 ZINC000974906070 613805937 /nfs/dbraw/zinc/80/59/37/613805937.db2.gz VXIKVIGQROALIR-CQSZACIVSA-N 0 1 276.424 2.579 20 30 CFEDMN C=CCN1C[C@@H](NC(=O)c2cccc(C)c2)C(C)(C)C1 ZINC000972776058 613811262 /nfs/dbraw/zinc/81/12/62/613811262.db2.gz JQLBGXRWRIBWMJ-OAHLLOKOSA-N 0 1 272.392 2.621 20 30 CFEDMN C=CCN1C[C@@H](NC(=O)c2csc(C)c2C)C(C)(C)C1 ZINC000974619691 613812345 /nfs/dbraw/zinc/81/23/45/613812345.db2.gz IODPZLVTTGJXKR-CQSZACIVSA-N 0 1 292.448 2.991 20 30 CFEDMN C=CCN1C[C@@H](NC(=O)c2occc2Cl)C(C)(C)C1 ZINC000975000662 613812927 /nfs/dbraw/zinc/81/29/27/613812927.db2.gz JMJHBRBSWDIORT-LLVKDONJSA-N 0 1 282.771 2.559 20 30 CFEDMN C=CCN1C[C@H](NC(=O)c2cc(C)oc2C)C(C)(C)C1 ZINC000972799291 613828793 /nfs/dbraw/zinc/82/87/93/613828793.db2.gz XCRMQTWNQPINAD-AWEZNQCLSA-N 0 1 276.380 2.523 20 30 CFEDMN CCC(=O)N[C@@H]1CCN(CC#Cc2ccccc2)CC1(C)C ZINC000940498497 614898609 /nfs/dbraw/zinc/89/86/09/614898609.db2.gz WXHXZHJJDMZIPM-QGZVFWFLSA-N 0 1 298.430 2.665 20 30 CFEDMN C=CC[C@H]1CCN1C(=O)c1cccc(Br)c1O ZINC000890557072 617650060 /nfs/dbraw/zinc/65/00/60/617650060.db2.gz RJNQPXAKSJBNCK-VIFPVBQESA-N 0 1 296.164 2.945 20 30 CFEDMN C=CC[N@H+]1CC[C@]2(NC(=O)c3cc(CC)ccn3)CCC[C@@H]12 ZINC000990867263 620741649 /nfs/dbraw/zinc/74/16/49/620741649.db2.gz AFIYBUHCIGYSKF-SJLPKXTDSA-N 0 1 299.418 2.557 20 30 CFEDMN CCN(C[C@@H](C)C#N)C[C@H]1C[C@@H](NC(=O)OC(C)(C)C)C1 ZINC000891716807 617725200 /nfs/dbraw/zinc/72/52/00/617725200.db2.gz WURUCHGNMVPWEF-MELADBBJSA-N 0 1 295.427 2.771 20 30 CFEDMN C[N@H+](Cc1cc(C#N)cs1)C[C@@H]1CC(C)(C)CO1 ZINC000933769735 617772786 /nfs/dbraw/zinc/77/27/86/617772786.db2.gz FBMRNAFXIGNPOB-LBPRGKRZSA-N 0 1 264.394 2.867 20 30 CFEDMN CN(Cc1cc(C#N)cs1)C[C@@H]1CC(C)(C)CO1 ZINC000933769735 617772787 /nfs/dbraw/zinc/77/27/87/617772787.db2.gz FBMRNAFXIGNPOB-LBPRGKRZSA-N 0 1 264.394 2.867 20 30 CFEDMN C=C(C)CN(C)[C@@H]1CCCN(c2ccc(C)cc2)C1=O ZINC000778231626 617811770 /nfs/dbraw/zinc/81/17/70/617811770.db2.gz GVUKBOUHICJLRK-MRXNPFEDSA-N 0 1 272.392 2.998 20 30 CFEDMN CC(=NNCCOC(C)C)c1ccc(F)cc1N(C)C ZINC000778551366 617864903 /nfs/dbraw/zinc/86/49/03/617864903.db2.gz KEQMIPIGJLDCEU-UHFFFAOYSA-N 0 1 281.375 2.630 20 30 CFEDMN CC(C)(C)CCC(=O)C(C#N)C(=O)NC1CCCCC1 ZINC000121669688 617885371 /nfs/dbraw/zinc/88/53/71/617885371.db2.gz YEMAUQOERIMJJC-ZDUSSCGKSA-N 0 1 278.396 2.970 20 30 CFEDMN CO[C@@H]1CC[C@@H]1N(C)CC#Cc1ccccc1Cl ZINC000934105362 617901859 /nfs/dbraw/zinc/90/18/59/617901859.db2.gz NXISCSBKQLRTCZ-LSDHHAIUSA-N 0 1 263.768 2.801 20 30 CFEDMN Cn1cc(C=NNc2nc3ccccc3n2C)c(C2CC2)n1 ZINC000901170226 620761205 /nfs/dbraw/zinc/76/12/05/620761205.db2.gz TWAZTFPOIJHBRB-UHFFFAOYSA-N 0 1 294.362 2.630 20 30 CFEDMN C=CCCCN(CC)C(=O)[C@@H]1c2cn[nH]c2CC[C@H]1C ZINC000890809899 617908510 /nfs/dbraw/zinc/90/85/10/617908510.db2.gz HBOLHJBJXLRJIH-DOMZBBRYSA-N 0 1 275.396 2.890 20 30 CFEDMN C=CCCCN(CC)C(=O)c1[nH]nc2ccccc21 ZINC000890815415 617912437 /nfs/dbraw/zinc/91/24/37/617912437.db2.gz GMNODKRLUBKSOI-UHFFFAOYSA-N 0 1 257.337 2.991 20 30 CFEDMN C=C[C@@H](CC)CC(=O)Nc1cc(CN(C)C)ccn1 ZINC000934160662 617925713 /nfs/dbraw/zinc/92/57/13/617925713.db2.gz XAVNOPNXTJDYQO-LBPRGKRZSA-N 0 1 261.369 2.684 20 30 CFEDMN C[C@@H]1CN(C(C)(C)C/N=C\c2ccccc2O)C[C@@H](C)O1 ZINC000255066733 617940575 /nfs/dbraw/zinc/94/05/75/617940575.db2.gz ZOPVPYKMCRYXOE-SDKMPEEESA-N 0 1 290.407 2.699 20 30 CFEDMN C=C(Cl)CN1CC[C@H](CCNC(=O)OC(C)(C)C)C1 ZINC000932693667 617942092 /nfs/dbraw/zinc/94/20/92/617942092.db2.gz ABVWIRUNMAPZGL-LBPRGKRZSA-N 0 1 288.819 2.976 20 30 CFEDMN COC(=O)c1ccc(/C=C\C(=O)c2cc(F)ccc2O)o1 ZINC000255087291 617955279 /nfs/dbraw/zinc/95/52/79/617955279.db2.gz XWWLKZNQFTXBPG-UTCJRWHESA-N 0 1 290.246 2.807 20 30 CFEDMN Cc1cccnc1N=NCc1cnn(C2CCC2)c1 ZINC000901233095 620768508 /nfs/dbraw/zinc/76/85/08/620768508.db2.gz HWACODNDOYEYHO-UHFFFAOYSA-N 0 1 255.325 2.758 20 30 CFEDMN C=CC[C@@H]1CCN1CC(=O)N1CCC[C@@H]2CCCC[C@@H]21 ZINC000934471637 618047138 /nfs/dbraw/zinc/04/71/38/618047138.db2.gz MMOBSKAQXRGIOO-XHSDSOJGSA-N 0 1 276.424 2.818 20 30 CFEDMN C=CC[C@@H]1CCN1[C@H](C)C(=O)N1C[C@H](C)C[C@@H](C)C1 ZINC000934472348 618047675 /nfs/dbraw/zinc/04/76/75/618047675.db2.gz MAWBGHXUMOFELC-KBUPBQIOSA-N 0 1 264.413 2.530 20 30 CFEDMN C=C1CCC(C(=O)Nc2ccn(-c3ccncc3)n2)CC1 ZINC000888981757 618101038 /nfs/dbraw/zinc/10/10/38/618101038.db2.gz UTACOPMVWFJBKU-UHFFFAOYSA-N 0 1 282.347 2.952 20 30 CFEDMN Cc1nc(Br)c(C=NOCC2CCC2)[nH]1 ZINC000901266340 620778082 /nfs/dbraw/zinc/77/80/82/620778082.db2.gz OLJPCNVRXQHMHN-UHFFFAOYSA-N 0 1 272.146 2.631 20 30 CFEDMN C[C@@H]1CCC[C@@](C#N)(NC(=O)c2cccc(F)c2O)C1 ZINC000933016636 618140941 /nfs/dbraw/zinc/14/09/41/618140941.db2.gz LTIJFCYFYVXWBW-MEBBXXQBSA-N 0 1 276.311 2.734 20 30 CFEDMN C#CCOc1ccc(C[N@@H+]2CCC[C@H](OCC)C2)cc1 ZINC000155427004 618148223 /nfs/dbraw/zinc/14/82/23/618148223.db2.gz DDAJNYYMDPIGLR-KRWDZBQOSA-N 0 1 273.376 2.700 20 30 CFEDMN C[C@H](N[C@H](CCCC#N)c1ccccc1)c1cnnn1C ZINC000926478992 618151516 /nfs/dbraw/zinc/15/15/16/618151516.db2.gz GQHUXCNCNMEABR-DZGCQCFKSA-N 0 1 283.379 2.901 20 30 CFEDMN C#Cc1ccc(NC(=O)N2CCN(CC)C[C@@H]2CC)cc1 ZINC000934927410 618158904 /nfs/dbraw/zinc/15/89/04/618158904.db2.gz NLLYFDDHYNQDTP-INIZCTEOSA-N 0 1 285.391 2.616 20 30 CFEDMN C#CCNCC(=O)N[C@H](CC(C)(C)C)c1ccccc1 ZINC000092492276 618181415 /nfs/dbraw/zinc/18/14/15/618181415.db2.gz HKEAQPZYBIBNKX-OAHLLOKOSA-N 0 1 272.392 2.503 20 30 CFEDMN CCO[C@H]1CCCN(Cc2csc(C#N)c2)C1 ZINC000891400354 618186373 /nfs/dbraw/zinc/18/63/73/618186373.db2.gz APOXKAUEEKJUFV-LBPRGKRZSA-N 0 1 250.367 2.621 20 30 CFEDMN C#CCC1(NCc2nc3cc([N+](=O)[O-])ccc3o2)CCC1 ZINC000933299075 618193778 /nfs/dbraw/zinc/19/37/78/618193778.db2.gz ONYYULNDFXXPJD-UHFFFAOYSA-N 0 1 285.303 2.772 20 30 CFEDMN C[C@H]1CC(NN=Cc2ccc(F)c(F)c2O)C[C@H](C)O1 ZINC000901298387 620785030 /nfs/dbraw/zinc/78/50/30/620785030.db2.gz DPTOOQHQUYDSJY-IUCAKERBSA-N 0 1 284.306 2.550 20 30 CFEDMN COc1ccc(C(=O)Nc2cc(C#N)ccc2O)cc1 ZINC000176817518 618205247 /nfs/dbraw/zinc/20/52/47/618205247.db2.gz JHQVDAFBBYSMRQ-UHFFFAOYSA-N 0 1 268.272 2.525 20 30 CFEDMN CC(C)CCO[C@@H](C)C(=O)Nc1cc(C#N)ccc1O ZINC000176818124 618205260 /nfs/dbraw/zinc/20/52/60/618205260.db2.gz UHIVQIPLOCOQPV-NSHDSACASA-N 0 1 276.336 2.654 20 30 CFEDMN Cc1ccc(CC(=O)Nc2cc(C#N)ccc2O)cc1 ZINC000176818948 618205412 /nfs/dbraw/zinc/20/54/12/618205412.db2.gz WIBOSMDQCAJAJP-UHFFFAOYSA-N 0 1 266.300 2.754 20 30 CFEDMN C#C[C@H](CC)NCc1cccc(Br)c1OC ZINC000309721490 618234199 /nfs/dbraw/zinc/23/41/99/618234199.db2.gz WDONZZAWMMGIHU-LLVKDONJSA-N 0 1 282.181 2.959 20 30 CFEDMN C=C(C)CN1CCC[C@@H](NC(=O)c2ccccc2C)C1 ZINC001006633638 618248784 /nfs/dbraw/zinc/24/87/84/618248784.db2.gz WSGOVLOMQGAEMG-OAHLLOKOSA-N 0 1 272.392 2.765 20 30 CFEDMN C[C@@H]1CC(=NNc2ccc(Cl)cc2F)c2ncnn21 ZINC000901318601 620790609 /nfs/dbraw/zinc/79/06/09/620790609.db2.gz VYOGXJNBOWVIOZ-SSDOTTSWSA-N 0 1 279.706 2.852 20 30 CFEDMN Cc1ncc2c(n1)CCC[C@@H]2NCc1ccc(C#N)s1 ZINC000749110614 618262355 /nfs/dbraw/zinc/26/23/55/618262355.db2.gz MFGVORVYPAJPSF-AWEZNQCLSA-N 0 1 284.388 2.885 20 30 CFEDMN N#Cc1ccc(O)c(NC(=O)/C=C\c2ccnc(Cl)c2)c1 ZINC000255696334 618265614 /nfs/dbraw/zinc/26/56/14/618265614.db2.gz TXCNZHDGSAFDGY-RQOWECAXSA-N 0 1 299.717 2.964 20 30 CFEDMN CN(C)Cc1ccc(NC(=O)C2(C#N)CCC2)cc1F ZINC000749248976 618279324 /nfs/dbraw/zinc/27/93/24/618279324.db2.gz XISAUXHPZWQEKK-UHFFFAOYSA-N 0 1 275.327 2.520 20 30 CFEDMN C=CC(C)(C)CC(=O)N[C@H](c1nnc[nH]1)c1ccccc1 ZINC000901348407 620792076 /nfs/dbraw/zinc/79/20/76/620792076.db2.gz NABRPGHGUUWUCF-AWEZNQCLSA-N 0 1 284.363 2.613 20 30 CFEDMN Cn1ncc(CNCc2ccc(CC#N)cc2)c1C1CC1 ZINC000895091833 618285416 /nfs/dbraw/zinc/28/54/16/618285416.db2.gz ZQAGCZGYFCUWDF-UHFFFAOYSA-N 0 1 280.375 2.653 20 30 CFEDMN C=CCN1CCCC[C@@H]1CNC(=O)c1ccccc1F ZINC001024305342 618288541 /nfs/dbraw/zinc/28/85/41/618288541.db2.gz OEHTYNSVJCZCMI-CYBMUJFWSA-N 0 1 276.355 2.596 20 30 CFEDMN C=CCN1CCCC[C@@H]1CNC(=O)c1ccc(C)s1 ZINC001024307108 618289664 /nfs/dbraw/zinc/28/96/64/618289664.db2.gz MSWJAUZZLJLVGD-CYBMUJFWSA-N 0 1 278.421 2.827 20 30 CFEDMN C=C(C)CN1CCCC[C@H]1CNC(=O)c1cccs1 ZINC001024311909 618292678 /nfs/dbraw/zinc/29/26/78/618292678.db2.gz CCRBEEIOYDMNGC-ZDUSSCGKSA-N 0 1 278.421 2.909 20 30 CFEDMN CC#CCN1CCCC[C@H]1CNC(=O)C1CCCCCC1 ZINC001024359370 618300578 /nfs/dbraw/zinc/30/05/78/618300578.db2.gz XJQALVPHEPOFON-KRWDZBQOSA-N 0 1 290.451 2.951 20 30 CFEDMN C=C(C)CN1CCCC[C@@H]1CNC(=O)c1cnc(C)s1 ZINC001024358171 618301810 /nfs/dbraw/zinc/30/18/10/618301810.db2.gz BHCSBCUUPXAVNM-CYBMUJFWSA-N 0 1 293.436 2.612 20 30 CFEDMN C#CCN(Cc1ccc(F)cc1)C[C@H](O)Cc1ccccc1 ZINC000195725136 618339099 /nfs/dbraw/zinc/33/90/99/618339099.db2.gz NKYLDHZNNQNBDW-LJQANCHMSA-N 0 1 297.373 2.865 20 30 CFEDMN C=CC[N@H+](CC(=O)[O-])Cc1ccc(OC(F)(F)F)cc1 ZINC000092465989 618347145 /nfs/dbraw/zinc/34/71/45/618347145.db2.gz ZMYWZKKAZVRNKI-UHFFFAOYSA-N 0 1 289.253 2.658 20 30 CFEDMN O=[N+]([O-])c1ccc(O)cc1C=NNC1CCC(F)(F)CC1 ZINC000901345521 620797904 /nfs/dbraw/zinc/79/79/04/620797904.db2.gz UGMPEKBREPIFOI-UHFFFAOYSA-N 0 1 299.277 2.802 20 30 CFEDMN C=CCN1CCCC[C@H]1CNC(=O)c1ccc(C)c(F)c1 ZINC001024541340 618355416 /nfs/dbraw/zinc/35/54/16/618355416.db2.gz IVNGSUWWBLQZBE-HNNXBMFYSA-N 0 1 290.382 2.904 20 30 CFEDMN N#C[C@@H](C(=O)c1ncsc1C1CC1)c1ccccn1 ZINC000892483680 618362713 /nfs/dbraw/zinc/36/27/13/618362713.db2.gz UOWHAYXZIHBEPD-SNVBAGLBSA-N 0 1 269.329 2.906 20 30 CFEDMN N#CC(C(=O)c1ncsc1C1CC1)c1ccccn1 ZINC000892483680 618362722 /nfs/dbraw/zinc/36/27/22/618362722.db2.gz UOWHAYXZIHBEPD-SNVBAGLBSA-N 0 1 269.329 2.906 20 30 CFEDMN C=CC(C)(C)CC(=O)N(C)[C@H](c1nnc[nH]1)c1ccccc1 ZINC000909474570 618393757 /nfs/dbraw/zinc/39/37/57/618393757.db2.gz GJGZIBJNCQKQAB-HNNXBMFYSA-N 0 1 298.390 2.955 20 30 CFEDMN C#CCN1CCCC[C@@H]1CNC(=O)c1ccc(C=C)cc1 ZINC001024671917 618437136 /nfs/dbraw/zinc/43/71/36/618437136.db2.gz NRSHBSFTVZCJPC-QGZVFWFLSA-N 0 1 282.387 2.547 20 30 CFEDMN C=CC[N@H+]1CCCC[C@@H]1CNC(=O)c1cccc2cc[nH]c21 ZINC001024664258 618437247 /nfs/dbraw/zinc/43/72/47/618437247.db2.gz PXZAJGPRKGGGBN-OAHLLOKOSA-N 0 1 297.402 2.938 20 30 CFEDMN C=CCN1CCCC[C@H]1CNC(=O)c1cc(C)cc(F)c1 ZINC001024671944 618438672 /nfs/dbraw/zinc/43/86/72/618438672.db2.gz OKSCSPGHXUXOGP-INIZCTEOSA-N 0 1 290.382 2.904 20 30 CFEDMN C#CCN1CCCC[C@@H]1CNC(=O)c1ccc(C2CC2)cc1 ZINC001024809671 618475115 /nfs/dbraw/zinc/47/51/15/618475115.db2.gz VGPBAGJJYTVGER-GOSISDBHSA-N 0 1 296.414 2.782 20 30 CFEDMN Cc1ccc(NN=Cc2nc(-c3ccccc3)no2)nc1 ZINC000727260188 618475726 /nfs/dbraw/zinc/47/57/26/618475726.db2.gz SFNOZHOKNDJSCG-UHFFFAOYSA-N 0 1 279.303 2.886 20 30 CFEDMN Cc1nc2ccccn2c1CN=Nc1ccc(C)cn1 ZINC000727260072 618475784 /nfs/dbraw/zinc/47/57/84/618475784.db2.gz OUOVUQRLEHSZKY-UHFFFAOYSA-N 0 1 265.320 2.792 20 30 CFEDMN C#CCOc1ccccc1C=NNc1ccc(C)cn1 ZINC000727260433 618476194 /nfs/dbraw/zinc/47/61/94/618476194.db2.gz VTZXESGPJMSOQP-UHFFFAOYSA-N 0 1 265.316 2.848 20 30 CFEDMN CSCc1n[nH]c(CNc2ccc(C#N)cc2Cl)n1 ZINC000895218111 618480814 /nfs/dbraw/zinc/48/08/14/618480814.db2.gz FTNYBKVSWMWGEL-UHFFFAOYSA-N 0 1 293.783 2.805 20 30 CFEDMN CSCc1nnc(CNc2ccc(C#N)cc2Cl)[nH]1 ZINC000895218111 618480821 /nfs/dbraw/zinc/48/08/21/618480821.db2.gz FTNYBKVSWMWGEL-UHFFFAOYSA-N 0 1 293.783 2.805 20 30 CFEDMN CC(C)(C)OC(=O)N[C@H]1C[C@@H](CN2CC[C@](C)(C#N)C2)C1 ZINC000895450231 618592893 /nfs/dbraw/zinc/59/28/93/618592893.db2.gz DPCSYWWGZXKAIJ-DVOMOZLQSA-N 0 1 293.411 2.525 20 30 CFEDMN CCn1cc(CN[C@H](C)c2ccc(C#N)cc2)c(C)n1 ZINC000892521152 618606255 /nfs/dbraw/zinc/60/62/55/618606255.db2.gz KWKLUQKETSIXKH-GFCCVEGCSA-N 0 1 268.364 2.934 20 30 CFEDMN N#CC(C(=O)C[C@@H]1C[C@H]1C1CC1)c1nnc2n1CCCCC2 ZINC000892550766 618629056 /nfs/dbraw/zinc/62/90/56/618629056.db2.gz SRCWDHXGTQOZLL-IHRRRGAJSA-N 0 1 298.390 2.617 20 30 CFEDMN C[C@@H]1CN(Cc2ccc(OCC#N)cc2)[C@@H](C)[C@H](C)O1 ZINC000782624346 618649217 /nfs/dbraw/zinc/64/92/17/618649217.db2.gz UYNVAYYONUACEV-RDBSUJKOSA-N 0 1 274.364 2.587 20 30 CFEDMN N#CC(C(=O)Cc1cccc(F)c1F)c1ccccn1 ZINC000181009958 618682964 /nfs/dbraw/zinc/68/29/64/618682964.db2.gz DGIHDSKSIHRBFP-NSHDSACASA-N 0 1 272.254 2.779 20 30 CFEDMN C=C(C)CN1CCC[C@H](NC(=O)[C@@H]2CCC(F)(F)C2)C1 ZINC001007469781 618686951 /nfs/dbraw/zinc/68/69/51/618686951.db2.gz PWLAOHQCLOZQPW-OLZOCXBDSA-N 0 1 286.366 2.579 20 30 CFEDMN N#Cc1ccc(N[C@@H]2CCN(C3CC3)C2)c(Cl)c1 ZINC000062791132 618702223 /nfs/dbraw/zinc/70/22/23/618702223.db2.gz AWRQUANQWPLOLU-LLVKDONJSA-N 0 1 261.756 2.860 20 30 CFEDMN C=CCC1(C(=O)O[C@H](C)c2n[nH]c(C)n2)CCCC1 ZINC000840582008 618765836 /nfs/dbraw/zinc/76/58/36/618765836.db2.gz ILXBBYNGMZVPCU-SNVBAGLBSA-N 0 1 263.341 2.854 20 30 CFEDMN C=CCCC[C@@H](C(=O)OCc1c[nH]nn1)c1ccccc1 ZINC000892996194 618795742 /nfs/dbraw/zinc/79/57/42/618795742.db2.gz UJPSMIKGSYVGIJ-OAHLLOKOSA-N 0 1 285.347 2.988 20 30 CFEDMN N#Cc1cc(Cl)cc(CN2CCC[C@H](O)CC2)c1 ZINC000930589158 618876278 /nfs/dbraw/zinc/87/62/78/618876278.db2.gz JMKDQBZVVWFALW-AWEZNQCLSA-N 0 1 264.756 2.558 20 30 CFEDMN CCCN1CC[C@@H](Nc2snc(Cl)c2C#N)C1 ZINC000853905672 618882953 /nfs/dbraw/zinc/88/29/53/618882953.db2.gz DQTSEOJGKCFQFA-MRVPVSSYSA-N 0 1 270.789 2.564 20 30 CFEDMN COC1(C)CCN(Cc2csc(C#N)c2)CC1 ZINC000893426659 618988219 /nfs/dbraw/zinc/98/82/19/618988219.db2.gz HQOCJJWUIAMECD-UHFFFAOYSA-N 0 1 250.367 2.621 20 30 CFEDMN CN(C)c1nc(C(F)(F)F)ccc1CNCCCC#N ZINC000893516928 619031845 /nfs/dbraw/zinc/03/18/45/619031845.db2.gz ZYBXHGKQPLWIRW-UHFFFAOYSA-N 0 1 286.301 2.560 20 30 CFEDMN C=CCN(C[C@H](C)CC(C)(C)C)[C@@H]1CCS(=O)(=O)C1 ZINC000878241295 619258511 /nfs/dbraw/zinc/25/85/11/619258511.db2.gz DKVVHHKHUPYYBQ-ZIAGYGMSSA-N 0 1 287.469 2.734 20 30 CFEDMN CC(Cc1ccc(F)cc1)=NNCCN1CCCCC1 ZINC000814808516 619259389 /nfs/dbraw/zinc/25/93/89/619259389.db2.gz ODNSEGRLPIXKGT-UHFFFAOYSA-N 0 1 277.387 2.820 20 30 CFEDMN CC(C)NC(=O)C(C#N)C(=O)CCC1CCCCC1 ZINC000048542681 619353947 /nfs/dbraw/zinc/35/39/47/619353947.db2.gz FLBJUFYKQFAQHU-CYBMUJFWSA-N 0 1 264.369 2.580 20 30 CFEDMN CC(C)Oc1ccc(NCc2cnc[nH]2)cc1C#N ZINC000894424794 619381209 /nfs/dbraw/zinc/38/12/09/619381209.db2.gz MTVYNCDAUHDWGN-UHFFFAOYSA-N 0 1 256.309 2.681 20 30 CFEDMN C[C@@H](CC(C)(C)C#N)NCC(=O)Nc1cccc(F)c1 ZINC000894501864 619405262 /nfs/dbraw/zinc/40/52/62/619405262.db2.gz IHOHUXGKJJRHOI-NSHDSACASA-N 0 1 277.343 2.682 20 30 CFEDMN C#C[C@H]([NH2+]Cc1ncc(Br)cc1[O-])C(C)(C)C ZINC000894517111 619407653 /nfs/dbraw/zinc/40/76/53/619407653.db2.gz FCNZSTAHRUTVLB-LBPRGKRZSA-N 0 1 297.196 2.687 20 30 CFEDMN C=CC[C@H]1CCCN(c2nc(Cl)nc3[nH]cnc32)C1 ZINC000894522257 619410026 /nfs/dbraw/zinc/41/00/26/619410026.db2.gz FUYSWZHJKGBLDO-VIFPVBQESA-N 0 1 277.759 2.799 20 30 CFEDMN C#C[C@H](N[C@@H](C)COCCOC)c1ccc(Cl)cc1 ZINC000894554011 619418045 /nfs/dbraw/zinc/41/80/45/619418045.db2.gz WTFKAUUSAOYGMF-WFASDCNBSA-N 0 1 281.783 2.655 20 30 CFEDMN C#CCOc1ccc(CNCc2cn(CC)nc2C)cc1 ZINC000894737164 619453183 /nfs/dbraw/zinc/45/31/83/619453183.db2.gz QICTYNYMPVFFBI-UHFFFAOYSA-N 0 1 283.375 2.513 20 30 CFEDMN C#C[C@@H](NCc1ccc(OC)c(OC)c1F)C(C)C ZINC000894738364 619455190 /nfs/dbraw/zinc/45/51/90/619455190.db2.gz SMUJOKYKYJNREE-GFCCVEGCSA-N 0 1 265.328 2.590 20 30 CFEDMN Cc1nc([C@@H](C)NCc2ccc(C3(C#N)CC3)cc2)n[nH]1 ZINC000894775950 619461777 /nfs/dbraw/zinc/46/17/77/619461777.db2.gz BCPIZQKHWJJUDJ-LLVKDONJSA-N 0 1 281.363 2.519 20 30 CFEDMN CC(C)(C#N)CCCOC(=O)c1ccc2cncn2c1 ZINC000792554094 619480389 /nfs/dbraw/zinc/48/03/89/619480389.db2.gz VRZFMQXOHGCFEP-UHFFFAOYSA-N 0 1 271.320 2.821 20 30 CFEDMN CCN(Cc1c(O)ccc2ccncc21)C[C@H](C)C#N ZINC000726960954 619511552 /nfs/dbraw/zinc/51/15/52/619511552.db2.gz IMTFNPVLDFOLEW-GFCCVEGCSA-N 0 1 269.348 2.922 20 30 CFEDMN C=CCC[C@@H](NCc1cc(F)cc(F)c1O)C(=O)OCC ZINC000894917021 619512364 /nfs/dbraw/zinc/51/23/64/619512364.db2.gz MRLUKEAMBGNLSG-CYBMUJFWSA-N 0 1 299.317 2.658 20 30 CFEDMN C#CCN(CC(=O)NCc1cccs1)C1CCCCC1 ZINC000049442253 619533391 /nfs/dbraw/zinc/53/33/91/619533391.db2.gz YTVJOYJHIHHQNC-UHFFFAOYSA-N 0 1 290.432 2.632 20 30 CFEDMN C#CC[C@@H](CO)N[C@H](C)c1ccc(-c2ccccc2)cn1 ZINC000895490798 619540725 /nfs/dbraw/zinc/54/07/25/619540725.db2.gz SPMFCPLULWCGAV-PBHICJAKSA-N 0 1 280.371 2.783 20 30 CFEDMN C=C(C)C[C@H](NCc1cc(F)cc(F)c1O)C(=O)OCC ZINC000895591951 619565492 /nfs/dbraw/zinc/56/54/92/619565492.db2.gz IVAGJECUGZRWHY-ZDUSSCGKSA-N 0 1 299.317 2.658 20 30 CFEDMN C#CCC1(O)CCN(Cc2ccc([C@H]3C[C@@H]3C)o2)CC1 ZINC000895674614 619579670 /nfs/dbraw/zinc/57/96/70/619579670.db2.gz AGDHJLSPNRCLOJ-ZFWWWQNUSA-N 0 1 273.376 2.753 20 30 CFEDMN C#CCC1(O)CC[NH+](Cc2c([O-])cc(C)cc2Cl)CC1 ZINC000895669709 619582539 /nfs/dbraw/zinc/58/25/39/619582539.db2.gz JBJJOCNHSZXOHQ-UHFFFAOYSA-N 0 1 293.794 2.704 20 30 CFEDMN C=CCC1(O)CCN(Cc2ccnn2CC2CCC2)CC1 ZINC000895827172 619612836 /nfs/dbraw/zinc/61/28/36/619612836.db2.gz LDBABALNIHXOOO-UHFFFAOYSA-N 0 1 289.423 2.586 20 30 CFEDMN N#Cc1cnc(Cl)c(CN2CC[C@@H]([C@H]3CCCO3)C2)c1 ZINC000895844726 619617904 /nfs/dbraw/zinc/61/79/04/619617904.db2.gz OMCRGCDLWOQABN-TZMCWYRMSA-N 0 1 291.782 2.608 20 30 CFEDMN C=CCC1(O)CCN(Cc2ccc(SC)o2)CC1 ZINC000895834485 619619805 /nfs/dbraw/zinc/61/98/05/619619805.db2.gz LYKMHSZZGZNLAU-UHFFFAOYSA-N 0 1 267.394 2.905 20 30 CFEDMN CC(C)(O)C1CCN(Cc2csc(C#N)c2)CC1 ZINC000895848620 619622415 /nfs/dbraw/zinc/62/24/15/619622415.db2.gz KELLXXCVSMDYDR-UHFFFAOYSA-N 0 1 264.394 2.603 20 30 CFEDMN C=CCC1(O)CCN(Cc2ccnn2C2CCC2)CC1 ZINC000896059135 619663400 /nfs/dbraw/zinc/66/34/00/619663400.db2.gz WKVBJLQYOQTBBX-UHFFFAOYSA-N 0 1 275.396 2.511 20 30 CFEDMN N#C[C@H]1CCCN(C[C@H]2CCN(c3ccccc3)C2)C1 ZINC000896502258 619751216 /nfs/dbraw/zinc/75/12/16/619751216.db2.gz WFBYMAOLNFHZFB-HZPDHXFCSA-N 0 1 269.392 2.748 20 30 CFEDMN COC(C)(C)[C@H](C)NCc1cc(C#N)cnc1Cl ZINC000896607243 619773615 /nfs/dbraw/zinc/77/36/15/619773615.db2.gz BWJKCIUUTUCNEZ-VIFPVBQESA-N 0 1 267.760 2.510 20 30 CFEDMN C=C[C@@H](CC)CC(=O)Nc1nc(-c2ccc(C)o2)n[nH]1 ZINC000896696418 619792827 /nfs/dbraw/zinc/79/28/27/619792827.db2.gz IXEGSCVOJRLETB-JTQLQIEISA-N 0 1 274.324 2.914 20 30 CFEDMN CC(C)(/C=C/Cl)NCc1cnc2ccc(C#N)cn12 ZINC000896748505 619805096 /nfs/dbraw/zinc/80/50/96/619805096.db2.gz WJKJQHXWORWLHL-AATRIKPKSA-N 0 1 274.755 2.827 20 30 CFEDMN C[C@@H]1Cc2cc(CNCc3cccc(C#N)n3)ccc2O1 ZINC000896829350 619832985 /nfs/dbraw/zinc/83/29/85/619832985.db2.gz RGXVZXRJIMNEAJ-GFCCVEGCSA-N 0 1 279.343 2.566 20 30 CFEDMN COc1ccc(CNCc2scnc2C)cc1C#N ZINC000087824278 619834910 /nfs/dbraw/zinc/83/49/10/619834910.db2.gz YPUZNABQOVVCMI-UHFFFAOYSA-N 0 1 273.361 2.622 20 30 CFEDMN N#Cc1cc(CN2CCC(O)(C3CCC3)CC2)cs1 ZINC000897033794 619916520 /nfs/dbraw/zinc/91/65/20/619916520.db2.gz DCZAGHYTCUUELZ-UHFFFAOYSA-N 0 1 276.405 2.747 20 30 CFEDMN CC#CCN(C)Cc1cc(Cl)cc(OC)c1O ZINC000897166607 619942617 /nfs/dbraw/zinc/94/26/17/619942617.db2.gz ABBHZGCOZXMZNK-UHFFFAOYSA-N 0 1 253.729 2.509 20 30 CFEDMN C#CCN(Cc1cncc(Br)c1C)C(C)C ZINC000897171440 619943851 /nfs/dbraw/zinc/94/38/51/619943851.db2.gz ZIDIPLZOQSJIAD-UHFFFAOYSA-N 0 1 281.197 2.996 20 30 CFEDMN CC(C)(C)CN(CCC#N)C(=O)[C@H]1CCN1C(C)(C)C ZINC000897198952 619948038 /nfs/dbraw/zinc/94/80/38/619948038.db2.gz MTBPLSUOYNELBR-CYBMUJFWSA-N 0 1 279.428 2.648 20 30 CFEDMN CC1(C)CCN(CCNc2ncc(C#N)cc2Cl)C1 ZINC000897249124 619958695 /nfs/dbraw/zinc/95/86/95/619958695.db2.gz MRGTZVNBVPPKTF-UHFFFAOYSA-N 0 1 278.787 2.750 20 30 CFEDMN C=C(Cl)CN(C)C1CCN(C(=O)C2CC=CC2)CC1 ZINC000985352251 619963333 /nfs/dbraw/zinc/96/33/33/619963333.db2.gz PYTZTGBWHPCVQW-UHFFFAOYSA-N 0 1 282.815 2.628 20 30 CFEDMN C=C(Cl)CN(C)C1CCN(C(=O)[C@H]2[C@@H]3CCC[C@@H]32)CC1 ZINC000985357462 619964257 /nfs/dbraw/zinc/96/42/57/619964257.db2.gz KHTRJWUEPCXTRK-FICVDOATSA-N 0 1 296.842 2.708 20 30 CFEDMN C[C@@H](N[C@H](C)c1cccc(C#N)c1)c1ccnnc1 ZINC000925186654 620012116 /nfs/dbraw/zinc/01/21/16/620012116.db2.gz YULZTPPETRTTTI-VXGBXAGGSA-N 0 1 252.321 2.760 20 30 CFEDMN C=C(Cl)CN[C@@H]1CN(C(=O)/C(C)=C\C)CC1(C)C ZINC000995618035 625745648 /nfs/dbraw/zinc/74/56/48/625745648.db2.gz KLAIZKGVROWFLT-XTOZHPGHSA-N 0 1 270.804 2.532 20 30 CFEDMN C=C(Cl)CN(C)C1CCN(C(=O)[C@@H]2C[C@H]2C(C)C)CC1 ZINC000985723446 620026325 /nfs/dbraw/zinc/02/63/25/620026325.db2.gz DQYSEVVLPCQIFN-LSDHHAIUSA-N 0 1 298.858 2.954 20 30 CFEDMN C=C(Cl)CN[C@H]1CCN(C(=O)c2cccc(F)c2)[C@@H]1C ZINC000985926054 620053030 /nfs/dbraw/zinc/05/30/30/620053030.db2.gz PCPWXXFUZXRMAS-RISCZKNCSA-N 0 1 296.773 2.771 20 30 CFEDMN C=C(Cl)CN[C@H]1CCN(C(=O)c2cc(C)oc2C)[C@H]1C ZINC000985958735 620054513 /nfs/dbraw/zinc/05/45/13/620054513.db2.gz SVPQWGSTSOFQEC-FZMZJTMJSA-N 0 1 296.798 2.842 20 30 CFEDMN C=C(Cl)CN[C@@H]1CCN(C(=O)CCc2ccoc2)[C@H]1C ZINC000986125774 620069377 /nfs/dbraw/zinc/06/93/77/620069377.db2.gz DLHMHOMVSHTGAB-GXTWGEPZSA-N 0 1 296.798 2.544 20 30 CFEDMN C=C(Cl)CN[C@H]1CCN(C(=O)C(F)=C(C)C)[C@@H]1C ZINC000986150884 620073716 /nfs/dbraw/zinc/07/37/16/620073716.db2.gz QTBDCCFVVXZHLA-MNOVXSKESA-N 0 1 274.767 2.581 20 30 CFEDMN C=CCC[C@@H](CO)NCc1cc([N+](=O)[O-])ccc1Cl ZINC000320989971 620079224 /nfs/dbraw/zinc/07/92/24/620079224.db2.gz IXXKBAKWRYNUSC-NSHDSACASA-N 0 1 284.743 2.665 20 30 CFEDMN C=C(Cl)CN[C@@H]1CCN(C(=O)C2(F)CCCC2)[C@@H]1C ZINC000986444917 620081801 /nfs/dbraw/zinc/08/18/01/620081801.db2.gz FXFQPAUTZUKREQ-VXGBXAGGSA-N 0 1 288.794 2.600 20 30 CFEDMN C=C(Cl)CN[C@@H]1CCN(C(=O)c2cc(C)[nH]c2C)[C@H]1C ZINC000987074990 620112320 /nfs/dbraw/zinc/11/23/20/620112320.db2.gz HOSRLJZMHAGHGU-GXTWGEPZSA-N 0 1 295.814 2.577 20 30 CFEDMN C=C(Cl)CN[C@H]1C[C@H](C)N(C(=O)c2ccc(C)o2)C1 ZINC000987951022 620159301 /nfs/dbraw/zinc/15/93/01/620159301.db2.gz KIYGJIUHNZPOPK-JQWIXIFHSA-N 0 1 282.771 2.533 20 30 CFEDMN C=C(Cl)CN[C@H]1C[C@H](C)N(C(=O)c2cc(C)oc2C)C1 ZINC000988061571 620161021 /nfs/dbraw/zinc/16/10/21/620161021.db2.gz XYCLGFKTKFWQIL-GWCFXTLKSA-N 0 1 296.798 2.842 20 30 CFEDMN C=C(Cl)CN[C@@H]1C[C@@H](C)N(C(=O)Cc2ccccc2)C1 ZINC000989056973 620230477 /nfs/dbraw/zinc/23/04/77/620230477.db2.gz UPROLHBNNOKZHM-UKRRQHHQSA-N 0 1 292.810 2.561 20 30 CFEDMN C=C(Cl)CN[C@@H]1C[C@H](C)N(C(=O)c2cocc2C)C1 ZINC000989291281 620243203 /nfs/dbraw/zinc/24/32/03/620243203.db2.gz NUTBANIKUVCPPH-NWDGAFQWSA-N 0 1 282.771 2.533 20 30 CFEDMN Cc1cc(O)c(CNCc2nc(C#N)cs2)cc1C ZINC000897632802 620264492 /nfs/dbraw/zinc/26/44/92/620264492.db2.gz QBWIFLSWAGJBLH-UHFFFAOYSA-N 0 1 273.361 2.627 20 30 CFEDMN C=CCN1CCCN(C(=O)c2c(C)cc(C)cc2C)CC1 ZINC000989615211 620383692 /nfs/dbraw/zinc/38/36/92/620383692.db2.gz BAFSSITVZIMPSH-UHFFFAOYSA-N 0 1 286.419 2.946 20 30 CFEDMN C=CCN1CCCN(C(=O)[C@]2(C)CC=C(C)CC2)CC1 ZINC000989713383 620387365 /nfs/dbraw/zinc/38/73/65/620387365.db2.gz VROXKOGZEJDKJY-QGZVFWFLSA-N 0 1 276.424 2.843 20 30 CFEDMN C=CCN1CCCN(C(=O)[C@@H]2CCCCC2(C)C)CC1 ZINC000989763589 620389981 /nfs/dbraw/zinc/38/99/81/620389981.db2.gz QHERVNPNAQZKOR-HNNXBMFYSA-N 0 1 278.440 2.923 20 30 CFEDMN CCC(=O)N[C@]12CCC[C@H]1N(CC#Cc1ccccc1)CC2 ZINC000989866550 620395529 /nfs/dbraw/zinc/39/55/29/620395529.db2.gz GRUQYFNJRMIZAQ-MJGOQNOKSA-N 0 1 296.414 2.561 20 30 CFEDMN CCC(=O)N[C@]12CCC[C@@H]1N(CC#Cc1ccccc1)CC2 ZINC000989866548 620395701 /nfs/dbraw/zinc/39/57/01/620395701.db2.gz GRUQYFNJRMIZAQ-HKUYNNGSSA-N 0 1 296.414 2.561 20 30 CFEDMN C=CCN1CC[C@]2(NC(=O)c3cc(C)cs3)CCC[C@H]12 ZINC000990592898 620433408 /nfs/dbraw/zinc/43/34/08/620433408.db2.gz YVEITBDMLPDQBK-GOEBONIOSA-N 0 1 290.432 2.969 20 30 CFEDMN C=CC(C)(C)NCc1cc2c(C)nn(C)c2nc1Cl ZINC000898457643 620466743 /nfs/dbraw/zinc/46/67/43/620466743.db2.gz QLYPQODGKHIFMP-UHFFFAOYSA-N 0 1 278.787 2.984 20 30 CFEDMN C=CCCC(C)(C)NC(=O)[C@@H]1CCN1C(C)(C)C ZINC000898989006 620513195 /nfs/dbraw/zinc/51/31/95/620513195.db2.gz QBLGWIJDAOQCNF-LBPRGKRZSA-N 0 1 252.402 2.720 20 30 CFEDMN C#CCCc1cc(=O)n(C2CCC(F)(F)CC2)[nH]1 ZINC000899364634 620551283 /nfs/dbraw/zinc/55/12/83/620551283.db2.gz CERZJNUPOWURDI-UHFFFAOYSA-N 0 1 254.280 2.566 20 30 CFEDMN O=C(/C=C/c1cnn(C2CCC2)c1)c1ccc(O)cc1O ZINC000899362558 620553641 /nfs/dbraw/zinc/55/36/41/620553641.db2.gz XBAZFBSHTDKTOA-QPJJXVBHSA-N 0 1 284.315 2.915 20 30 CFEDMN C=CCN1C(=O)N=NC1SC[C@@H]1CCCC2(CCC2)O1 ZINC000901507957 620840175 /nfs/dbraw/zinc/84/01/75/620840175.db2.gz JNQILIRGLJAXDT-NSHDSACASA-N 0 1 295.408 2.754 20 30 CFEDMN C=CC[N@@H+](CC(=O)[O-])C[C@H](C)c1cc(F)cc(F)c1 ZINC000901586232 620862466 /nfs/dbraw/zinc/86/24/66/620862466.db2.gz MBOPMCKHLMZRFU-JTQLQIEISA-N 0 1 269.291 2.641 20 30 CFEDMN C=CC[N@H+](CC(=O)[O-])Cc1cc2ccc(C)cc2[nH]1 ZINC000901587212 620863156 /nfs/dbraw/zinc/86/31/56/620863156.db2.gz VMDXRTWQUNYMOT-UHFFFAOYSA-N 0 1 258.321 2.549 20 30 CFEDMN C=CC[N@@H+](CC(=O)[O-])Cc1cc2ccc(C)cc2[nH]1 ZINC000901587212 620863159 /nfs/dbraw/zinc/86/31/59/620863159.db2.gz VMDXRTWQUNYMOT-UHFFFAOYSA-N 0 1 258.321 2.549 20 30 CFEDMN C=CC[N@H+](CC(=O)[O-])Cc1cn(CC)nc1-c1ccccc1 ZINC000901587107 620863288 /nfs/dbraw/zinc/86/32/88/620863288.db2.gz UNTHSQUBBKMSIR-UHFFFAOYSA-N 0 1 299.374 2.643 20 30 CFEDMN C=CC[N@@H+](CC(=O)[O-])Cc1cn(CC)nc1-c1ccccc1 ZINC000901587107 620863289 /nfs/dbraw/zinc/86/32/89/620863289.db2.gz UNTHSQUBBKMSIR-UHFFFAOYSA-N 0 1 299.374 2.643 20 30 CFEDMN C=CC[N@@H+](CC(=O)[O-])C/C(C)=C\c1ccccc1COC ZINC000901585810 620869930 /nfs/dbraw/zinc/86/99/30/620869930.db2.gz ISSCUSPXCDQXCP-UVTDQMKNSA-N 0 1 289.375 2.809 20 30 CFEDMN COC1(CNC[C@@H](C#N)CCC#N)CCCCCC1 ZINC000901702526 620898373 /nfs/dbraw/zinc/89/83/73/620898373.db2.gz UTSLIMZVJLYZAT-CQSZACIVSA-N 0 1 263.385 2.759 20 30 CFEDMN Cn1cc(CNc2nc3ccc(C#N)cc3[nH]2)c(C2CC2)n1 ZINC000902155992 620988607 /nfs/dbraw/zinc/98/86/07/620988607.db2.gz HERWMRHABICNPX-UHFFFAOYSA-N 0 1 292.346 2.658 20 30 CFEDMN C=CCCC[C@@H](C)[NH2+]C1CCN(CCCC(=O)[O-])CC1 ZINC000902262339 621009416 /nfs/dbraw/zinc/00/94/16/621009416.db2.gz IGZFRODEEGRVDV-CQSZACIVSA-N 0 1 282.428 2.650 20 30 CFEDMN C=C1C[C@H]2CC[C@@H](C1)N2CN1CCN(C2CCCC2)C1=O ZINC000902321791 621026849 /nfs/dbraw/zinc/02/68/49/621026849.db2.gz XDVAMCHTQLIPOP-IYBDPMFKSA-N 0 1 289.423 2.807 20 30 CFEDMN C[C@H](NCC[N@@H+](C)Cc1ccccc1)c1cc(C#N)ccn1 ZINC000902759785 621166618 /nfs/dbraw/zinc/16/66/18/621166618.db2.gz FHBYQWGXYHXJJI-HNNXBMFYSA-N 0 1 294.402 2.736 20 30 CFEDMN CC[C@@H](NCC(=O)NC1CCCC1)c1cccc(C#N)c1 ZINC000902863112 621196716 /nfs/dbraw/zinc/19/67/16/621196716.db2.gz UVJSSBCRKABPHN-MRXNPFEDSA-N 0 1 285.391 2.658 20 30 CFEDMN C=CCOCCN[C@H](C)c1ccc(C(F)(F)F)cn1 ZINC000902944707 621207522 /nfs/dbraw/zinc/20/75/22/621207522.db2.gz KOAFWLVWPAMEBL-SNVBAGLBSA-N 0 1 274.286 2.954 20 30 CFEDMN C[C@H](CC(F)(F)F)N[C@@H](C)c1cc(C#N)ccn1 ZINC000902958355 621214230 /nfs/dbraw/zinc/21/42/30/621214230.db2.gz ZJVMSEGLJWXEST-BDAKNGLRSA-N 0 1 257.259 2.945 20 30 CFEDMN C=CCC[C@@H](NCc1cnn(CC)n1)[C@@]1(C)CCCCO1 ZINC000903063513 621238198 /nfs/dbraw/zinc/23/81/98/621238198.db2.gz DKAYHABDDQCQGP-HZPDHXFCSA-N 0 1 292.427 2.682 20 30 CFEDMN C=CCC[C@H](NCc1nc(C#N)cs1)[C@H]1CCCO1 ZINC000903265132 621305093 /nfs/dbraw/zinc/30/50/93/621305093.db2.gz XWZRFYFAOWLDCU-QWHCGFSZSA-N 0 1 277.393 2.618 20 30 CFEDMN C[C@@H]1CCC[N@@H+](CC2CCC(C#N)CC2)[C@@H]1C(=O)[O-] ZINC000903408031 621363253 /nfs/dbraw/zinc/36/32/53/621363253.db2.gz MURBSXXJMPEHAG-RYSNWHEDSA-N 0 1 264.369 2.501 20 30 CFEDMN C[C@H]1C[N@@H+](Cc2cc(Cl)cc(C#N)c2)CC[C@H]1C(=O)[O-] ZINC000903408152 621363285 /nfs/dbraw/zinc/36/32/85/621363285.db2.gz FCYRPSCEBXAPKB-IINYFYTJSA-N 0 1 292.766 2.754 20 30 CFEDMN CCC[N@@H+](CCCCC1(C#N)CCC1)CC(=O)[O-] ZINC000903697948 621420644 /nfs/dbraw/zinc/42/06/44/621420644.db2.gz OZTKSKQWCZSBFH-UHFFFAOYSA-N 0 1 252.358 2.647 20 30 CFEDMN C[C@@]1(C(=O)[O-])CC[N@@H+](CCCCC2(C#N)CCC2)C1 ZINC000903700845 621421318 /nfs/dbraw/zinc/42/13/18/621421318.db2.gz HZLVGAWHBFGORE-CQSZACIVSA-N 0 1 264.369 2.647 20 30 CFEDMN CC[N@@H+](CCCCC1(C#N)CCC1)[C@@H](C)C(=O)[O-] ZINC000903702439 621421564 /nfs/dbraw/zinc/42/15/64/621421564.db2.gz BZLNEBFJQHQUOE-LBPRGKRZSA-N 0 1 252.358 2.646 20 30 CFEDMN C=CC[C@@H]1CCC[N@H+](CCC2(C(=O)[O-])CCC2)C1 ZINC000903703053 621421810 /nfs/dbraw/zinc/42/18/10/621421810.db2.gz PPALZFQDTXULLV-CYBMUJFWSA-N 0 1 251.370 2.920 20 30 CFEDMN C[C@@H]1CC[N@@H+](CCCCC2(C#N)CCC2)C[C@@H]1C(=O)[O-] ZINC000903703215 621421838 /nfs/dbraw/zinc/42/18/38/621421838.db2.gz VNMZEBAPDUUNOC-KGLIPLIRSA-N 0 1 278.396 2.893 20 30 CFEDMN C[N@@H+](CCC1(C(=O)[O-])CCC1)Cc1cc(C#N)cs1 ZINC000903707488 621423812 /nfs/dbraw/zinc/42/38/12/621423812.db2.gz AZSPOAVJZFTOGJ-UHFFFAOYSA-N 0 1 278.377 2.697 20 30 CFEDMN C=C(C)C[N@H+](CC)[C@@H](CCc1ccccc1)C(=O)[O-] ZINC000903885792 621464456 /nfs/dbraw/zinc/46/44/56/621464456.db2.gz SGGAHEBMMUOTBO-HNNXBMFYSA-N 0 1 261.365 2.970 20 30 CFEDMN C=C(Br)C[N@@H+]1[C@H](C)C[C@H](C)[C@H](C(=O)[O-])[C@H]1C ZINC000903952463 621488407 /nfs/dbraw/zinc/48/84/07/621488407.db2.gz YUUFFNKMPNAJPS-IANFPDNMSA-N 0 1 290.201 2.715 20 30 CFEDMN CC[C@@H](C(=O)N(O)Cc1cccc2ccccc21)N(C)C ZINC000904170942 621541233 /nfs/dbraw/zinc/54/12/33/621541233.db2.gz HEPYXBCXORAQDH-INIZCTEOSA-N 0 1 286.375 2.898 20 30 CFEDMN CN(CC(=O)N(O)Cc1ccc(F)cc1)CC(C)(C)C ZINC000904178080 621543373 /nfs/dbraw/zinc/54/33/73/621543373.db2.gz YJAJUCWXFWZXBP-UHFFFAOYSA-N 0 1 282.359 2.521 20 30 CFEDMN CCCCCCN(O)C(=O)c1cc(C(F)F)[nH]n1 ZINC000904206928 621543869 /nfs/dbraw/zinc/54/38/69/621543869.db2.gz MLCFHYIKEBUDMT-UHFFFAOYSA-N 0 1 261.272 2.759 20 30 CFEDMN CCOc1ccc(O)c(/C=N\Cc2cc(N(C)C)ccn2)c1 ZINC000905002421 621680018 /nfs/dbraw/zinc/68/00/18/621680018.db2.gz OJEJZKPYEGQUHY-WQRHYEAKSA-N 0 1 299.374 2.871 20 30 CFEDMN C=CCN(CC=C)C(=O)c1n[nH]c(C)c1C(F)(F)F ZINC000905046397 621685719 /nfs/dbraw/zinc/68/57/19/621685719.db2.gz OUMWDQRHIFJKLP-UHFFFAOYSA-N 0 1 273.258 2.551 20 30 CFEDMN CC1/C(=C\c2ncc(C(C)(C)C)s2)C(=O)c2ncnn21 ZINC000905087808 621693180 /nfs/dbraw/zinc/69/31/80/621693180.db2.gz ZPDITURUUBXORZ-MOIHINDBSA-N 0 1 288.376 2.873 20 30 CFEDMN COc1ccc(N=NCc2cn(C)nc2C2CCCC2)nc1 ZINC000905461819 621778716 /nfs/dbraw/zinc/77/87/16/621778716.db2.gz DMQKFAFTOAWXPK-UHFFFAOYSA-N 0 1 299.378 2.927 20 30 CFEDMN Cc1c(Br)cccc1CCNCCC#N ZINC000905560098 621791588 /nfs/dbraw/zinc/79/15/88/621791588.db2.gz IGTFWSOXDJDVCV-UHFFFAOYSA-N 0 1 267.170 2.803 20 30 CFEDMN CC1(c2ccccc2)CN(C[C@H](O)CC2(C#N)CCC2)C1 ZINC000905967726 621906849 /nfs/dbraw/zinc/90/68/49/621906849.db2.gz WIGQZBIJGUYCRU-MRXNPFEDSA-N 0 1 284.403 2.705 20 30 CFEDMN CC[C@@H](C#N)N(C)C(=O)c1ccc(CN2CCCCC2)o1 ZINC000906007480 621917717 /nfs/dbraw/zinc/91/77/17/621917717.db2.gz VCTYPKXKKAJBMN-ZDUSSCGKSA-N 0 1 289.379 2.640 20 30 CFEDMN Cc1cc(C(=O)N[C@H]2CCCc3cn[nH]c32)cc(C)c1C#N ZINC000907043489 622075557 /nfs/dbraw/zinc/07/55/57/622075557.db2.gz CAXVWPPCNHGQFU-HNNXBMFYSA-N 0 1 294.358 2.706 20 30 CFEDMN Cc1nc(C)c(C(=O)Nc2ccccc2O[C@H](C)C#N)[nH]1 ZINC000907262094 622106736 /nfs/dbraw/zinc/10/67/36/622106736.db2.gz LBJXKLIHZNEADN-SECBINFHSA-N 0 1 284.319 2.570 20 30 CFEDMN Cc1nc(C)c(C(=O)Nc2ccccc2O[C@@H](C)C#N)[nH]1 ZINC000907262095 622106883 /nfs/dbraw/zinc/10/68/83/622106883.db2.gz LBJXKLIHZNEADN-VIFPVBQESA-N 0 1 284.319 2.570 20 30 CFEDMN C[C@@H](NC(=O)C(F)(F)c1ccccc1C#N)C(F)(F)F ZINC000908227093 622203983 /nfs/dbraw/zinc/20/39/83/622203983.db2.gz VTYXTVPUADVKGD-SSDOTTSWSA-N 0 1 292.207 2.717 20 30 CFEDMN N#CCCC[C@H](NC(=O)Cc1cnc[nH]1)c1ccccc1 ZINC000908382050 622224012 /nfs/dbraw/zinc/22/40/12/622224012.db2.gz FNFBYVOMVZJBJJ-HNNXBMFYSA-N 0 1 282.347 2.504 20 30 CFEDMN C[C@H](C#N)C(=O)Nc1ccc2oc(CN3CCCC3)nc2c1 ZINC000908411810 622228215 /nfs/dbraw/zinc/22/82/15/622228215.db2.gz RQOOJRQZRIHFRN-LLVKDONJSA-N 0 1 298.346 2.522 20 30 CFEDMN C=CCCC(=O)[C@H]1CCCN1C(=O)c1cc(CCC)[nH]n1 ZINC000908645669 622253573 /nfs/dbraw/zinc/25/35/73/622253573.db2.gz LXBFWXWGPMOAHO-CQSZACIVSA-N 0 1 289.379 2.502 20 30 CFEDMN N#C[C@@]1(C(=O)Nc2cccc3[nH]nnc32)CC2CCC1CC2 ZINC000908704573 622266598 /nfs/dbraw/zinc/26/65/98/622266598.db2.gz SKRPEGQMYYBIOZ-PRDDCLIZSA-N 0 1 295.346 2.616 20 30 CFEDMN CC(C)c1nc([C@H]2CCCCN2c2ccnc(C#N)c2)n[nH]1 ZINC000912160099 622659298 /nfs/dbraw/zinc/65/92/98/622659298.db2.gz GVDABSYOVJPQHG-CQSZACIVSA-N 0 1 296.378 2.926 20 30 CFEDMN CC[C@@H](CC#N)OC(=O)c1cc2[nH]cnc2cc1F ZINC000820764906 622752836 /nfs/dbraw/zinc/75/28/36/622752836.db2.gz BDHYINBPXOIWKV-QMMMGPOBSA-N 0 1 261.256 2.551 20 30 CFEDMN N#CC(=C(O)C=C[C@H]1CCCO1)c1cnc2ccccc2n1 ZINC000820853561 622774849 /nfs/dbraw/zinc/77/48/49/622774849.db2.gz XLPZVJYIHMPHLL-NAISLTENSA-N 0 1 293.326 2.541 20 30 CFEDMN N#CC(C(=O)C=C[C@H]1CCCO1)c1cnc2ccccc2n1 ZINC000820853561 622774858 /nfs/dbraw/zinc/77/48/58/622774858.db2.gz XLPZVJYIHMPHLL-NAISLTENSA-N 0 1 293.326 2.541 20 30 CFEDMN C#CC[C@@H](CO)NCc1ccc(-c2ccc(F)cc2C)o1 ZINC000821207221 622868466 /nfs/dbraw/zinc/86/84/66/622868466.db2.gz MLCIPVYYHBBSAQ-AWEZNQCLSA-N 0 1 287.334 2.868 20 30 CFEDMN CCCC[C@@H](ON=C(C)C)C(=O)O[C@@H](C)c1n[nH]c(C)n1 ZINC000840454094 622882776 /nfs/dbraw/zinc/88/27/76/622882776.db2.gz DFPCXULWIFERNA-CMPLNLGQSA-N 0 1 296.371 2.689 20 30 CFEDMN CC(C)C[C@H](C(=O)Nc1cc(C#N)ccc1O)n1ccnc1 ZINC000821349181 622902280 /nfs/dbraw/zinc/90/22/80/622902280.db2.gz MSRAQNPUCCMRFS-CQSZACIVSA-N 0 1 298.346 2.686 20 30 CFEDMN C=CCc1cc(OC)cc(CN2C[C@H](C)OC[C@H]2C)c1O ZINC000163954357 622932218 /nfs/dbraw/zinc/93/22/18/622932218.db2.gz NTEMIHIAWOEURC-OLZOCXBDSA-N 0 1 291.391 2.739 20 30 CFEDMN C#CCN(Cc1ccccc1)C[C@@H](O)c1cccc(OC)c1 ZINC000157539888 623039132 /nfs/dbraw/zinc/03/91/32/623039132.db2.gz MBMJLTFNAKMLFW-LJQANCHMSA-N 0 1 295.382 2.864 20 30 CFEDMN C=C[C@H](CC)CC(=O)N(C)[C@H](c1nnc[nH]1)c1ccccc1 ZINC000822190699 623057466 /nfs/dbraw/zinc/05/74/66/623057466.db2.gz KHIHVXSQOKWMIZ-CJNGLKHVSA-N 0 1 298.390 2.955 20 30 CFEDMN Cc1ccc(NC2CCC(C#N)CC2)c(N(C)C)n1 ZINC000877123169 623096180 /nfs/dbraw/zinc/09/61/80/623096180.db2.gz PXYBREYNDFNJNA-UHFFFAOYSA-N 0 1 258.369 2.950 20 30 CFEDMN CCS[C@H](C(=O)C(C#N)C(=O)NC1CCCC1)C(C)C ZINC000171367064 623219305 /nfs/dbraw/zinc/21/93/05/623219305.db2.gz XKABEZPWJDUHST-JSGCOSHPSA-N 0 1 296.436 2.532 20 30 CFEDMN CCCCCCCCCN1C[C@@H](C)O[C@@H](CO)C1 ZINC000230013122 623240504 /nfs/dbraw/zinc/24/05/04/623240504.db2.gz KOHSJPRXFXUUGD-HUUCEWRRSA-N 0 1 257.418 2.819 20 30 CFEDMN Cc1nn(C)cc1[C@@H](C)NCc1ccc(O[C@@H](C)C#N)cc1 ZINC000171764824 623242414 /nfs/dbraw/zinc/24/24/14/623242414.db2.gz VPYNNEWJZFYABW-QWHCGFSZSA-N 0 1 298.390 2.870 20 30 CFEDMN C#CCCOc1ccc(CN[C@@H](C)c2cn(C)nc2C)cc1 ZINC000172119008 623262492 /nfs/dbraw/zinc/26/24/92/623262492.db2.gz WIMUCLPJOCDBMX-AWEZNQCLSA-N 0 1 297.402 2.981 20 30 CFEDMN C#CCN(CC)Cc1c[nH]c(C(=O)OCc2ccccc2)c1 ZINC000823419005 623313493 /nfs/dbraw/zinc/31/34/93/623313493.db2.gz NSPLRKJBGCMOQY-UHFFFAOYSA-N 0 1 296.370 2.827 20 30 CFEDMN C#CC[C@H]1CCCN(C(=O)c2cc(F)cc(F)c2O)C1 ZINC000823505670 623336049 /nfs/dbraw/zinc/33/60/49/623336049.db2.gz DYAZWOXIBPSCGY-JTQLQIEISA-N 0 1 279.286 2.546 20 30 CFEDMN COc1ccc(CNCc2ccc(OC)c(C#N)c2)cc1O ZINC000174333104 623409174 /nfs/dbraw/zinc/40/91/74/623409174.db2.gz AGJPTRKLYLYVPL-UHFFFAOYSA-N 0 1 298.342 2.571 20 30 CFEDMN C=C[C@H](C)ONC(=O)Cc1csc(C2CCCC2)n1 ZINC000824232984 623473505 /nfs/dbraw/zinc/47/35/05/623473505.db2.gz OLSVEVCNPARWEP-JTQLQIEISA-N 0 1 280.393 2.966 20 30 CFEDMN C#CCC[N@H+](CCOC)Cc1cc(Cl)c(F)cc1[O-] ZINC000827827378 623485512 /nfs/dbraw/zinc/48/55/12/623485512.db2.gz TVRFZXROMQWRND-UHFFFAOYSA-N 0 1 285.746 2.656 20 30 CFEDMN CC(C)N(Cc1ccc(O[C@@H](C)C#N)cc1)C1COC1 ZINC000824471948 623511169 /nfs/dbraw/zinc/51/11/69/623511169.db2.gz JVLVFTVVURKJGU-ZDUSSCGKSA-N 0 1 274.364 2.587 20 30 CFEDMN CCC(CC)CC(=O)[C@@H](C#N)C(=O)NC1CCCCC1 ZINC000151592579 623535588 /nfs/dbraw/zinc/53/55/88/623535588.db2.gz WBUKBRNSWCFNSJ-CQSZACIVSA-N 0 1 278.396 2.970 20 30 CFEDMN C[C@@H]1CC[C@@H](CC(=O)[C@@H](C#N)C(=O)NC2CCCC2)C1 ZINC000151716069 623558186 /nfs/dbraw/zinc/55/81/86/623558186.db2.gz STSWHJPTIZNCEX-YRGRVCCFSA-N 0 1 276.380 2.580 20 30 CFEDMN C#CCN1CC[C@]2(NC(=O)c3cccc(C)c3C)CCC[C@@H]12 ZINC000992463846 623580176 /nfs/dbraw/zinc/58/01/76/623580176.db2.gz HFMYFHBTVALWJR-IEBWSBKVSA-N 0 1 296.414 2.663 20 30 CFEDMN C#CCN1CC[C@]2(NC(=O)c3ccc(C)c(C)c3)CCC[C@@H]12 ZINC000992468503 623587169 /nfs/dbraw/zinc/58/71/69/623587169.db2.gz PPQILFXLTGWVFR-IEBWSBKVSA-N 0 1 296.414 2.663 20 30 CFEDMN C#CCOc1ccc(CNCc2cccc(OCC)n2)cc1 ZINC000824925657 623590755 /nfs/dbraw/zinc/59/07/55/623590755.db2.gz BZPDAWOQIVJRSR-UHFFFAOYSA-N 0 1 296.370 2.782 20 30 CFEDMN CC1(C)CCCC[C@H]1CC(=O)[C@@H](C#N)C(=O)NC1CC1 ZINC000152347761 623683009 /nfs/dbraw/zinc/68/30/09/623683009.db2.gz ZIZMZJVPARPABI-WCQYABFASA-N 0 1 276.380 2.580 20 30 CFEDMN CC1(C)CCCC[C@@H]1CC(=O)[C@H](C#N)C(=O)NC1CC1 ZINC000152347835 623683077 /nfs/dbraw/zinc/68/30/77/623683077.db2.gz ZIZMZJVPARPABI-YPMHNXCESA-N 0 1 276.380 2.580 20 30 CFEDMN C#CCC(C)(C)C(=O)Nc1ccc2c(C)[nH]nc2c1 ZINC000185005902 625671954 /nfs/dbraw/zinc/67/19/54/625671954.db2.gz XDYJSYRYIPGZGW-UHFFFAOYSA-N 0 1 255.321 2.859 20 30 CFEDMN C#C[C@@H](C)[N@H+](C)Cc1ccc(Br)cc1[O-] ZINC000825710172 623744797 /nfs/dbraw/zinc/74/47/97/623744797.db2.gz HUPCXDGSTCOFSR-SECBINFHSA-N 0 1 268.154 2.608 20 30 CFEDMN C#C[C@@H](C)[N@@H+](C)Cc1ccc(Br)cc1[O-] ZINC000825710172 623744806 /nfs/dbraw/zinc/74/48/06/623744806.db2.gz HUPCXDGSTCOFSR-SECBINFHSA-N 0 1 268.154 2.608 20 30 CFEDMN C#C[C@H](CC)NCc1cccc(F)c1OC(F)F ZINC000825878503 623765020 /nfs/dbraw/zinc/76/50/20/623765020.db2.gz PQCYIBLOVVBKTB-SNVBAGLBSA-N 0 1 257.255 2.929 20 30 CFEDMN C#C[C@@H](NCc1cc(C(F)(F)F)nn1C)C(C)(C)C ZINC000825939592 623772338 /nfs/dbraw/zinc/77/23/38/623772338.db2.gz CLYGZTSHTMXDDR-SNVBAGLBSA-N 0 1 273.302 2.576 20 30 CFEDMN N#CC1(C[NH2+]Cc2ccc(Br)cc2[O-])CCC1 ZINC000826130471 623796351 /nfs/dbraw/zinc/79/63/51/623796351.db2.gz IPSAWVBXBLHQSS-UHFFFAOYSA-N 0 1 295.180 2.938 20 30 CFEDMN N#CC1(CNCc2ccc(Br)cc2O)CCC1 ZINC000826130471 623796354 /nfs/dbraw/zinc/79/63/54/623796354.db2.gz IPSAWVBXBLHQSS-UHFFFAOYSA-N 0 1 295.180 2.938 20 30 CFEDMN CC#CCN1CCC[C@@H](NC(=O)CC2CCCC2)[C@@H]1C ZINC000992990093 623832764 /nfs/dbraw/zinc/83/27/64/623832764.db2.gz XKWCMIWVQAOADV-GOEBONIOSA-N 0 1 276.424 2.559 20 30 CFEDMN C#CC[N@@H+]1CCC[C@H](NC(=O)CC2CCCCC2)[C@H]1C ZINC000993006971 623840127 /nfs/dbraw/zinc/84/01/27/623840127.db2.gz VZOUEZSLXAMKCA-ZBFHGGJFSA-N 0 1 276.424 2.559 20 30 CFEDMN C#CCN1CCC[C@H](NC(=O)CC2CCCCC2)[C@H]1C ZINC000993006971 623840134 /nfs/dbraw/zinc/84/01/34/623840134.db2.gz VZOUEZSLXAMKCA-ZBFHGGJFSA-N 0 1 276.424 2.559 20 30 CFEDMN C=CCN1CCC[C@H](NC(=O)c2cccc(C)c2)[C@H]1C ZINC000993060280 623878042 /nfs/dbraw/zinc/87/80/42/623878042.db2.gz WHRDDWOTSXIJBA-ZBFHGGJFSA-N 0 1 272.392 2.764 20 30 CFEDMN C=CCN1CCC[C@@H](NC(=O)c2cccc(C)c2)[C@H]1C ZINC000993060277 623878104 /nfs/dbraw/zinc/87/81/04/623878104.db2.gz WHRDDWOTSXIJBA-GDBMZVCRSA-N 0 1 272.392 2.764 20 30 CFEDMN CC(C)C(=O)N[C@H]1CCCN(Cc2cccc(C#N)c2)[C@H]1C ZINC000993067320 623883555 /nfs/dbraw/zinc/88/35/55/623883555.db2.gz IAHJUPCCQRFKPK-YOEHRIQHSA-N 0 1 299.418 2.683 20 30 CFEDMN CC#CCN1CCC[C@@H](NC(=O)C2CCCCCC2)[C@@H]1C ZINC000993140953 623945091 /nfs/dbraw/zinc/94/50/91/623945091.db2.gz NZAIPVSSVOIHQD-DOTOQJQBSA-N 0 1 290.451 2.949 20 30 CFEDMN CC(=NOC[C@H]1CCOC1)c1ccccc1N(C)C ZINC000788031848 623951044 /nfs/dbraw/zinc/95/10/44/623951044.db2.gz ZFTIKPHINNBFCJ-ZDUSSCGKSA-N 0 1 262.353 2.530 20 30 CFEDMN CC(=NOC[C@H]1CCOC1)c1ccc(N(C)C)cc1 ZINC000788035251 623980824 /nfs/dbraw/zinc/98/08/24/623980824.db2.gz YVUCBKDEOLWAMU-ZDUSSCGKSA-N 0 1 262.353 2.530 20 30 CFEDMN Cc1csc(C(C#N)C(=O)c2ccc3[nH]cnc3c2)n1 ZINC000915100305 623981838 /nfs/dbraw/zinc/98/18/38/623981838.db2.gz REVNHGMXNQOOGZ-SNVBAGLBSA-N 0 1 282.328 2.818 20 30 CFEDMN Cc1csc(C(C#N)C(=O)c2ccc(Cl)nc2)n1 ZINC000915100340 623981884 /nfs/dbraw/zinc/98/18/84/623981884.db2.gz UOIHMPZOIYFLLM-SECBINFHSA-N 0 1 277.736 2.990 20 30 CFEDMN Cc1csc([C@H](C#N)C(=O)c2ccc(Cl)nc2)n1 ZINC000915100340 623981885 /nfs/dbraw/zinc/98/18/85/623981885.db2.gz UOIHMPZOIYFLLM-SECBINFHSA-N 0 1 277.736 2.990 20 30 CFEDMN C#C[C@@H](NCc1cc(F)c(F)cc1F)C1CCOCC1 ZINC000827565436 624033382 /nfs/dbraw/zinc/03/33/82/624033382.db2.gz LZKMLVIGZDYKSR-OAHLLOKOSA-N 0 1 283.293 2.622 20 30 CFEDMN C#C[C@H]([NH2+]Cc1cc(Cl)ccc1[O-])C1CCOCC1 ZINC000827570673 624036369 /nfs/dbraw/zinc/03/63/69/624036369.db2.gz PUIFLURBZGFZDL-AWEZNQCLSA-N 0 1 279.767 2.564 20 30 CFEDMN C=C(C)CN1CCC[C@@H](NC(=O)c2cc(C)sn2)[C@@H]1C ZINC000993262501 624059662 /nfs/dbraw/zinc/05/96/62/624059662.db2.gz UITCQZWYEDBIDT-QWHCGFSZSA-N 0 1 293.436 2.610 20 30 CFEDMN CCSc1ccccc1C(=O)NC1=NO[C@H](C)C1 ZINC000765377441 624070690 /nfs/dbraw/zinc/07/06/90/624070690.db2.gz GTDOZTOGUFXROU-SECBINFHSA-N 0 1 264.350 2.651 20 30 CFEDMN C=CCN1CCC[C@@H](NC(=O)c2ccsc2C)[C@H]1C ZINC000993323027 624097147 /nfs/dbraw/zinc/09/71/47/624097147.db2.gz FDDQXFWFWDSYJR-BXUZGUMPSA-N 0 1 278.421 2.825 20 30 CFEDMN C=CCN1CCC[C@@H](NC(=O)C2CC(C)(C)C2)[C@H]1C ZINC000993327229 624100784 /nfs/dbraw/zinc/10/07/84/624100784.db2.gz KUCIPHVYOBJTQV-TZMCWYRMSA-N 0 1 264.413 2.578 20 30 CFEDMN C#CCC[N@@H+](CCOC)Cc1c([O-])cc(C)cc1Cl ZINC000827826745 624103733 /nfs/dbraw/zinc/10/37/33/624103733.db2.gz LJOJKBNFQGLCDZ-UHFFFAOYSA-N 0 1 281.783 2.826 20 30 CFEDMN C#CCC[N@H+](CCOC)Cc1c([O-])cc(C)cc1Cl ZINC000827826745 624103736 /nfs/dbraw/zinc/10/37/36/624103736.db2.gz LJOJKBNFQGLCDZ-UHFFFAOYSA-N 0 1 281.783 2.826 20 30 CFEDMN C=CC[N@@H+]1CCC[C@@H](NC(=O)c2cc3occc3[nH]2)[C@H]1C ZINC000993379543 624128587 /nfs/dbraw/zinc/12/85/87/624128587.db2.gz KLAMUAQXRDQWCR-VXGBXAGGSA-N 0 1 287.363 2.530 20 30 CFEDMN C=CCN1CCC[C@@H](NC(=O)c2cc3occc3[nH]2)[C@H]1C ZINC000993379543 624128588 /nfs/dbraw/zinc/12/85/88/624128588.db2.gz KLAMUAQXRDQWCR-VXGBXAGGSA-N 0 1 287.363 2.530 20 30 CFEDMN CC(=O)Nc1ccccc1CNCc1ccc(C#N)cc1 ZINC000090736022 624145276 /nfs/dbraw/zinc/14/52/76/624145276.db2.gz XKZHNXKUYWMHOU-UHFFFAOYSA-N 0 1 279.343 2.806 20 30 CFEDMN CC#CCN1CCC[C@H](NC(=O)C23CCC(CC2)C3)[C@@H]1C ZINC000993479725 624146237 /nfs/dbraw/zinc/14/62/37/624146237.db2.gz BEKBCTHJTGPAHH-VUGNNNGISA-N 0 1 288.435 2.559 20 30 CFEDMN C=C(C)CN1CCC[C@@H](NC(=O)C2(F)CCCC2)[C@H]1C ZINC000993501476 624147963 /nfs/dbraw/zinc/14/79/63/624147963.db2.gz LCUWGJWMTLENBP-ZIAGYGMSSA-N 0 1 282.403 2.814 20 30 CFEDMN C=CCN1CCC[C@@H](NC(=O)C23CCC(CC2)C3)[C@H]1C ZINC000993502510 624148058 /nfs/dbraw/zinc/14/80/58/624148058.db2.gz IZCMLJFQWJWBSZ-HCEZTOJASA-N 0 1 276.424 2.722 20 30 CFEDMN C=CCN1CCC[C@H](NC(=O)c2c(C)oc(C)c2C)[C@@H]1C ZINC000993581422 624150614 /nfs/dbraw/zinc/15/06/14/624150614.db2.gz CCRQOYBBODDFIU-WFASDCNBSA-N 0 1 290.407 2.974 20 30 CFEDMN C#CCN1CCC[C@@H](NC(=O)C2CCCCCCC2)[C@@H]1C ZINC000993569142 624152099 /nfs/dbraw/zinc/15/20/99/624152099.db2.gz GBGADUSKGZWONF-DOTOQJQBSA-N 0 1 290.451 2.949 20 30 CFEDMN C#CCN1CCC[C@@H](NC(=O)C2CCCCCCC2)[C@H]1C ZINC000993569145 624152142 /nfs/dbraw/zinc/15/21/42/624152142.db2.gz GBGADUSKGZWONF-NVXWUHKLSA-N 0 1 290.451 2.949 20 30 CFEDMN C=CCN1CCC[C@H](NC(=O)c2cc3ncccc3o2)[C@@H]1C ZINC000993603619 624153514 /nfs/dbraw/zinc/15/35/14/624153514.db2.gz NGIANZFVQLKENJ-STQMWFEESA-N 0 1 299.374 2.597 20 30 CFEDMN CC#CCN1CCC[C@@H](NC(=O)Cc2cccc(C)c2)[C@H]1C ZINC000993715108 624161042 /nfs/dbraw/zinc/16/10/42/624161042.db2.gz MMFADPTWYYNWDA-SJLPKXTDSA-N 0 1 298.430 2.530 20 30 CFEDMN CC#CCN1CCC[C@@H](NC(=O)C2(C)CCCCC2)[C@H]1C ZINC000993748281 624164502 /nfs/dbraw/zinc/16/45/02/624164502.db2.gz XZDUSSDIRREEEN-HZPDHXFCSA-N 0 1 290.451 2.949 20 30 CFEDMN C=C(Cl)CN[C@H]1CN(C(=O)c2ccc(C)o2)CC1(C)C ZINC000995435959 625700158 /nfs/dbraw/zinc/70/01/58/625700158.db2.gz MMCXYBWXDWKFCZ-ZDUSSCGKSA-N 0 1 296.798 2.781 20 30 CFEDMN CC#CCN1CCC[C@@H](NC(=O)c2csc(C)c2)[C@H]1C ZINC000994004076 624177181 /nfs/dbraw/zinc/17/71/81/624177181.db2.gz ICAFRPZSKFTYCG-UKRRQHHQSA-N 0 1 290.432 2.663 20 30 CFEDMN C=CCN1CCC[C@H](NC(=O)c2ncoc2C(C)C)[C@@H]1C ZINC000994168013 624181366 /nfs/dbraw/zinc/18/13/66/624181366.db2.gz NGSWTEXVFUYCOP-STQMWFEESA-N 0 1 291.395 2.567 20 30 CFEDMN Cn1c(NN=Cc2cccs2)nnc1-c1ccccc1 ZINC000915967972 624195893 /nfs/dbraw/zinc/19/58/93/624195893.db2.gz NJFASBDIRQAHAX-UHFFFAOYSA-N 0 1 283.360 2.990 20 30 CFEDMN CC(=NNc1nc2ccccc2n1C)c1cc(O)ccc1O ZINC000915967747 624196136 /nfs/dbraw/zinc/19/61/36/624196136.db2.gz NNOWLSTYAJQUDH-UHFFFAOYSA-N 0 1 296.330 2.821 20 30 CFEDMN C[C@H]1C[C@H]1c1ccc(C=NNCCN2CCCCC2)o1 ZINC000915974569 624198902 /nfs/dbraw/zinc/19/89/02/624198902.db2.gz INYQRFWUIMYQDJ-DZGCQCFKSA-N 0 1 275.396 2.812 20 30 CFEDMN C[C@@]1(C(=O)Nc2nc3ccc(C#N)cc3[nH]2)C=CCC1 ZINC000828261414 624215661 /nfs/dbraw/zinc/21/56/61/624215661.db2.gz NIUYXRVCHGXLNU-OAHLLOKOSA-N 0 1 266.304 2.729 20 30 CFEDMN N#Cc1ccc2nc(NC(=O)[C@H]3[C@H]4[C@@H]3[C@@H]3CC[C@H]4C3)[nH]c2c1 ZINC000828260264 624216093 /nfs/dbraw/zinc/21/60/93/624216093.db2.gz CVVWORIJAPXTDC-RJTWHSRJSA-N 0 1 292.342 2.665 20 30 CFEDMN CC1(CCC(=O)Nc2nc3ccc(C#N)cc3[nH]2)CC1 ZINC000828261180 624216170 /nfs/dbraw/zinc/21/61/70/624216170.db2.gz MLFPLEUYBHPTBW-UHFFFAOYSA-N 0 1 268.320 2.953 20 30 CFEDMN C=CCN1CCC[C@H](NC(=O)c2ncccc2Cl)[C@@H]1C ZINC000994269662 624268572 /nfs/dbraw/zinc/26/85/72/624268572.db2.gz DQZBJILEIXGEOR-AAEUAGOBSA-N 0 1 293.798 2.504 20 30 CFEDMN C#CCN1CCC[C@@H](NC(=O)c2cc(C)ccc2C)[C@@H]1C ZINC000994298386 624275049 /nfs/dbraw/zinc/27/50/49/624275049.db2.gz RAQWCLPSVMBBLO-DOTOQJQBSA-N 0 1 284.403 2.519 20 30 CFEDMN C=CCN1CCC[C@H](NC(=O)c2ccc(C3CC3)cn2)[C@@H]1C ZINC000994324240 624276020 /nfs/dbraw/zinc/27/60/20/624276020.db2.gz FORCUONBZBXCMM-BBRMVZONSA-N 0 1 299.418 2.728 20 30 CFEDMN C#CCN1CCC[C@@H](NC(=O)c2ccc(C)cc2C)[C@@H]1C ZINC000994342303 624276874 /nfs/dbraw/zinc/27/68/74/624276874.db2.gz AIIKWUMPFJPUMD-DOTOQJQBSA-N 0 1 284.403 2.519 20 30 CFEDMN C#CCN1CCC[C@H](NC(=O)c2ccc(C)cc2C)[C@@H]1C ZINC000994342319 624277083 /nfs/dbraw/zinc/27/70/83/624277083.db2.gz AIIKWUMPFJPUMD-RDJZCZTQSA-N 0 1 284.403 2.519 20 30 CFEDMN C#CCN1CCC[C@H](NC(=O)c2c(C)cc(C)cc2C)[C@H]1C ZINC000994360534 624277324 /nfs/dbraw/zinc/27/73/24/624277324.db2.gz AWLSQVYCMWXOJX-SJORKVTESA-N 0 1 298.430 2.828 20 30 CFEDMN CCCCCCNC(=O)C(C#N)C(=O)CSC(C)C ZINC000916875172 624290080 /nfs/dbraw/zinc/29/00/80/624290080.db2.gz UZVVEDGZTSPHKZ-LBPRGKRZSA-N 0 1 284.425 2.533 20 30 CFEDMN CCOc1ccccc1NC(=O)C(C#N)C(=O)CC1CC1 ZINC000916925945 624291958 /nfs/dbraw/zinc/29/19/58/624291958.db2.gz VPABNOAEQLKQCG-LBPRGKRZSA-N 0 1 286.331 2.533 20 30 CFEDMN C=CCN(CC(=O)N[C@H](C)c1ccccc1OC)C(C)C ZINC000917070505 624306668 /nfs/dbraw/zinc/30/66/68/624306668.db2.gz CQQVLTYNLBHDJM-CQSZACIVSA-N 0 1 290.407 2.769 20 30 CFEDMN C=CCN(CC(=O)NCc1ccc(Cl)cc1)C(C)C ZINC000917167164 624320749 /nfs/dbraw/zinc/32/07/49/624320749.db2.gz XXEGXRSVHUCQDO-UHFFFAOYSA-N 0 1 280.799 2.853 20 30 CFEDMN C(=NNc1ccccn1)c1cccc2c1OCCCO2 ZINC000917536138 624356646 /nfs/dbraw/zinc/35/66/46/624356646.db2.gz LGPXTLCXSVSELT-UHFFFAOYSA-N 0 1 269.304 2.689 20 30 CFEDMN CC(=NNc1ncnc2nc[nH]c21)c1cc2ccccc2o1 ZINC000917555857 624359532 /nfs/dbraw/zinc/35/95/32/624359532.db2.gz YYEYBIOVCUKVNX-UHFFFAOYSA-N 0 1 292.302 2.935 20 30 CFEDMN C#CCN(C)Cc1cc(Br)ccc1C ZINC000829159252 624388755 /nfs/dbraw/zinc/38/87/55/624388755.db2.gz ODXPUVHTGAIAKS-UHFFFAOYSA-N 0 1 252.155 2.823 20 30 CFEDMN C=CCOCCOC(=O)c1ccc(CN2CCCCC2)o1 ZINC000923834275 624416470 /nfs/dbraw/zinc/41/64/70/624416470.db2.gz XPDKGKCEIKRGGR-UHFFFAOYSA-N 0 1 293.363 2.625 20 30 CFEDMN CCCCCCCC[C@H](C)C(=O)NCc1c[nH]nn1 ZINC000829546621 624454690 /nfs/dbraw/zinc/45/46/90/624454690.db2.gz PTYRIGPJLKUBJS-LBPRGKRZSA-N 0 1 266.389 2.808 20 30 CFEDMN C[C@H]1CC(=NC(=O)c2ccc(SC(F)(F)F)o2)NO1 ZINC000867062858 624455562 /nfs/dbraw/zinc/45/55/62/624455562.db2.gz KMOUTIMVCZFHND-YFKPBYRVSA-N 0 1 294.254 2.744 20 30 CFEDMN C[C@@H]1CC(NC(=O)c2cc3ccnc(Cl)c3s2)=NO1 ZINC000867063353 624470404 /nfs/dbraw/zinc/47/04/04/624470404.db2.gz WFMVSEYESUKXAO-ZCFIWIBFSA-N 0 1 295.751 2.802 20 30 CFEDMN C#CC[C@@H]1CCCN(CC(=O)N2CCCc3ccccc32)C1 ZINC000829769193 624528804 /nfs/dbraw/zinc/52/88/04/624528804.db2.gz QEGITOQWRXFNJY-MRXNPFEDSA-N 0 1 296.414 2.701 20 30 CFEDMN C#CC[C@H]1CCCN(CC(=O)c2cc(C)n(C)c2C)C1 ZINC000829773621 624528996 /nfs/dbraw/zinc/52/89/96/624528996.db2.gz GXPICCPZISMVDE-HNNXBMFYSA-N 0 1 272.392 2.560 20 30 CFEDMN C#CC[C@@H]1CCCN(Cc2cccc(C(=O)OC)c2C#N)C1 ZINC000829805147 624546424 /nfs/dbraw/zinc/54/64/24/624546424.db2.gz PQHYZYKJQKBNIN-CQSZACIVSA-N 0 1 296.370 2.580 20 30 CFEDMN C#CCN1CCC(NC(=O)[C@@]2(C)CCC(C)=C(C)C2)CC1 ZINC000830162096 624650896 /nfs/dbraw/zinc/65/08/96/624650896.db2.gz FCFQIFLJTFYFAR-SFHVURJKSA-N 0 1 288.435 2.727 20 30 CFEDMN C#CCN1CCC(NC(=O)CC2(C=C)CCCCC2)CC1 ZINC000830162322 624651241 /nfs/dbraw/zinc/65/12/41/624651241.db2.gz IKROXJONTMBFBW-UHFFFAOYSA-N 0 1 288.435 2.727 20 30 CFEDMN C#CC1CCN(Cc2nc3cc(F)ccc3o2)CC1 ZINC000830330064 624709864 /nfs/dbraw/zinc/70/98/64/624709864.db2.gz PIUMPKIHWZGACX-UHFFFAOYSA-N 0 1 258.296 2.812 20 30 CFEDMN C#CCCOc1ccc(C=NNc2ccccn2)cc1 ZINC000920364561 624714522 /nfs/dbraw/zinc/71/45/22/624714522.db2.gz FZHJQROTBKEFQZ-UHFFFAOYSA-N 0 1 265.316 2.930 20 30 CFEDMN C#CC1CCN(Cc2ccc(C(=O)OC)c(Cl)c2)CC1 ZINC000830351703 624718661 /nfs/dbraw/zinc/71/86/61/624718661.db2.gz UXHBHOPYTQVROZ-UHFFFAOYSA-N 0 1 291.778 2.972 20 30 CFEDMN CCO[C@@H]1C[C@@H](NCc2ccc(F)cc2C#N)[C@@H]1SC ZINC000830428575 624743972 /nfs/dbraw/zinc/74/39/72/624743972.db2.gz IFNMXOPFIAMQRT-KFWWJZLASA-N 0 1 294.395 2.696 20 30 CFEDMN C#C[C@@H]1CCCC[C@@H]1OC(=O)c1ccc(-c2nnc[nH]2)cc1 ZINC000851536316 634415910 /nfs/dbraw/zinc/41/59/10/634415910.db2.gz GPYPOOAQSRHKCN-DOMZBBRYSA-N 0 1 295.342 2.821 20 30 CFEDMN C#C[C@@H]1CCCC[C@H]1OC(=O)c1cccc(-c2nnc[nH]2)c1 ZINC000851536288 634415924 /nfs/dbraw/zinc/41/59/24/634415924.db2.gz GKVHIIWAKDNOEH-IUODEOHRSA-N 0 1 295.342 2.821 20 30 CFEDMN C#C[C@H]1CCCC[C@@H]1OC(=O)c1cccc(-c2nnc[nH]2)c1 ZINC000851536290 634416330 /nfs/dbraw/zinc/41/63/30/634416330.db2.gz GKVHIIWAKDNOEH-WFASDCNBSA-N 0 1 295.342 2.821 20 30 CFEDMN Cc1ccc(C(=O)Nc2cc(C#N)ccc2O)c(F)c1 ZINC000175419316 624951960 /nfs/dbraw/zinc/95/19/60/624951960.db2.gz APIZROYQYKFGIF-UHFFFAOYSA-N 0 1 270.263 2.964 20 30 CFEDMN COc1ccc(F)cc1C(=O)Nc1cc(C#N)ccc1O ZINC000179728228 624975334 /nfs/dbraw/zinc/97/53/34/624975334.db2.gz WUBJVMMURKGGDA-UHFFFAOYSA-N 0 1 286.262 2.664 20 30 CFEDMN C=C(C)C[N@@H+](C)Cc1cc(=O)oc2cc([O-])ccc12 ZINC000181326298 625107772 /nfs/dbraw/zinc/10/77/72/625107772.db2.gz OSTPNSLVSPWJOE-UHFFFAOYSA-N 0 1 259.305 2.507 20 30 CFEDMN C=C(C)C[N@H+](C)Cc1cc(=O)oc2cc([O-])ccc12 ZINC000181326298 625107775 /nfs/dbraw/zinc/10/77/75/625107775.db2.gz OSTPNSLVSPWJOE-UHFFFAOYSA-N 0 1 259.305 2.507 20 30 CFEDMN CC[C@H](C#N)C(=O)N1CCC[C@@H](c2cc(C(C)C)[nH]n2)C1 ZINC000831884000 625166970 /nfs/dbraw/zinc/16/69/70/625166970.db2.gz DKIKYFSWHGMODG-CHWSQXEVSA-N 0 1 288.395 2.789 20 30 CFEDMN C=C(Cl)CN[C@H]1CN(C(=O)[C@]23C[C@H]2CCC3)CC1(C)C ZINC000996064202 625872146 /nfs/dbraw/zinc/87/21/46/625872146.db2.gz MPFXDBJSVJUFMF-DVOMOZLQSA-N 0 1 296.842 2.756 20 30 CFEDMN C=C(Cl)CN[C@@H]1CN(C(=O)[C@@H](F)C(C)C)CC1(C)C ZINC000996153398 625879713 /nfs/dbraw/zinc/87/97/13/625879713.db2.gz HYGVQDDDLBGXNS-NEPJUHHUSA-N 0 1 290.810 2.560 20 30 CFEDMN C=C(C)CN1CC[C@H](NC(=O)c2ccc3ccn(C)c3c2)C1 ZINC001015944974 625884362 /nfs/dbraw/zinc/88/43/62/625884362.db2.gz SAUKDONSSWGNQJ-INIZCTEOSA-N 0 1 297.402 2.559 20 30 CFEDMN C=C(Cl)CN[C@H]1CN(C(=O)[C@@H]2C[C@H]2C2CC2)CC1(C)C ZINC000996396912 625901604 /nfs/dbraw/zinc/90/16/04/625901604.db2.gz XSXYRXBPHOXTFJ-MJBXVCDLSA-N 0 1 296.842 2.612 20 30 CFEDMN C#CCOc1ccc(CN[C@H](C)c2cc(C)nn2C)cc1 ZINC000834888325 625910451 /nfs/dbraw/zinc/91/04/51/625910451.db2.gz GELOTBAFEUNWTJ-CQSZACIVSA-N 0 1 283.375 2.591 20 30 CFEDMN Fc1cnccc1CN=Nc1nccnc1C1CCC1 ZINC000834978757 625942857 /nfs/dbraw/zinc/94/28/57/625942857.db2.gz BMJNHLJBNRTKKA-UHFFFAOYSA-N 0 1 271.299 2.724 20 30 CFEDMN CC(C)ON=C1CCN(Cc2ccc(C#N)cc2)CC1 ZINC000835003860 625952872 /nfs/dbraw/zinc/95/28/72/625952872.db2.gz ATIMBZTYKHIBTG-UHFFFAOYSA-N 0 1 271.364 2.935 20 30 CFEDMN CC1(C)OCC[C@H]1NN=Cc1cc(Cl)cc(F)c1O ZINC000835016616 625962214 /nfs/dbraw/zinc/96/22/14/625962214.db2.gz MDCKKEFTGTUFLT-LLVKDONJSA-N 0 1 286.734 2.676 20 30 CFEDMN Fc1cccc2c1CC[C@H]2NN=C1CCN2CCC[C@H]12 ZINC000835019267 625965474 /nfs/dbraw/zinc/96/54/74/625965474.db2.gz ATEXQVIWDKFMMZ-GDBMZVCRSA-N 0 1 273.355 2.627 20 30 CFEDMN N#C[C@H](NC(=O)c1cc(F)cc2nc[nH]c21)C1CCCC1 ZINC000921542130 625980929 /nfs/dbraw/zinc/98/09/29/625980929.db2.gz PBDBJDWEWUVBAI-ZDUSSCGKSA-N 0 1 286.310 2.514 20 30 CFEDMN Cc1nc2cccc(C(=O)N[C@H](C#N)C3CCCC3)c2[nH]1 ZINC000921550201 625985049 /nfs/dbraw/zinc/98/50/49/625985049.db2.gz SVFPHBLFVRJILV-CQSZACIVSA-N 0 1 282.347 2.684 20 30 CFEDMN CCCON=C1CCN(CCC(F)(F)F)CC1 ZINC000842555626 625988351 /nfs/dbraw/zinc/98/83/51/625988351.db2.gz YGZKNUPZRIQFBL-UHFFFAOYSA-N 0 1 252.280 2.817 20 30 CFEDMN C=C(Cl)CN[C@@H]1CCCN(C(=O)c2ccc(C)o2)C1 ZINC000998483988 626052993 /nfs/dbraw/zinc/05/29/93/626052993.db2.gz BVOMSNOHXVPWRP-GFCCVEGCSA-N 0 1 282.771 2.535 20 30 CFEDMN C#CCOc1ccccc1CNCc1cnn(C2CCC2)c1 ZINC000921744753 626104275 /nfs/dbraw/zinc/10/42/75/626104275.db2.gz YSKNIBUAIIHESS-UHFFFAOYSA-N 0 1 295.386 2.910 20 30 CFEDMN C=C(Cl)CN[C@H]1CCCN(C(=O)[C@H]2CC23CCC3)C1 ZINC001000324697 626108890 /nfs/dbraw/zinc/10/88/90/626108890.db2.gz OVKROSXMVHHRBN-QWHCGFSZSA-N 0 1 282.815 2.510 20 30 CFEDMN C=CCN1CC[C@@H](NC(=O)c2csc3c2CCCC3)C1 ZINC001016198119 626110082 /nfs/dbraw/zinc/11/00/82/626110082.db2.gz NOCVQGGDZJNKHY-GFCCVEGCSA-N 0 1 290.432 2.617 20 30 CFEDMN CC[C@@H](COC)NCc1cc(C#N)ccc1Br ZINC000921765893 626113831 /nfs/dbraw/zinc/11/38/31/626113831.db2.gz PYPPBFDGXDVHBE-LBPRGKRZSA-N 0 1 297.196 2.835 20 30 CFEDMN C=C(Cl)CN[C@H]1CCCN(C(=O)[C@@H]2C[C@H]2C2CCC2)C1 ZINC001000434720 626118398 /nfs/dbraw/zinc/11/83/98/626118398.db2.gz XIEUYAJXSXJRIC-SOUVJXGZSA-N 0 1 296.842 2.756 20 30 CFEDMN C=CC[N@H+](CC[C@@H]1CCc2ccccc21)CC(=O)[O-] ZINC000851705315 634479067 /nfs/dbraw/zinc/47/90/67/634479067.db2.gz HOJKEYCCMHMMBA-AWEZNQCLSA-N 0 1 259.349 2.679 20 30 CFEDMN C=CCN1CC[C@H](NC(=O)c2ccc3[nH]c(C)c(C)c3c2)C1 ZINC001016227286 626133596 /nfs/dbraw/zinc/13/35/96/626133596.db2.gz WSWQRNTYTBRTGH-HNNXBMFYSA-N 0 1 297.402 2.775 20 30 CFEDMN C=CC[N@H+](CC[C@H]1CCc2ccccc21)CC(=O)[O-] ZINC000851705316 634479415 /nfs/dbraw/zinc/47/94/15/634479415.db2.gz HOJKEYCCMHMMBA-CQSZACIVSA-N 0 1 259.349 2.679 20 30 CFEDMN C[C@]1(NCc2cc(C#N)ccc2Br)CCOC1 ZINC000921935079 626180302 /nfs/dbraw/zinc/18/03/02/626180302.db2.gz VRGYFCCFKRRGNJ-ZDUSSCGKSA-N 0 1 295.180 2.589 20 30 CFEDMN C[C@H]1OCC[C@@H]1NCc1cc(C#N)ccc1Br ZINC000921949220 626184307 /nfs/dbraw/zinc/18/43/07/626184307.db2.gz IIKONJXZANMGNF-RNCFNFMXSA-N 0 1 295.180 2.588 20 30 CFEDMN COC(=O)c1ccc(CNCC(C)(C)CC#N)c(F)c1 ZINC000922178571 626231828 /nfs/dbraw/zinc/23/18/28/626231828.db2.gz PPZZQLOISIVUGC-UHFFFAOYSA-N 0 1 278.327 2.642 20 30 CFEDMN C=C1CC(C)(C(=O)NC2CCN(C/C=C\Cl)CC2)C1 ZINC001003582590 626240371 /nfs/dbraw/zinc/24/03/71/626240371.db2.gz IDXIBVSGNIJLNE-UTCJRWHESA-N 0 1 282.815 2.676 20 30 CFEDMN C=C(C)CN1CC[C@@H](NC(=O)c2c(C)cccc2F)C1 ZINC001016409393 626240485 /nfs/dbraw/zinc/24/04/85/626240485.db2.gz VWBNRIPPKOUGBK-CYBMUJFWSA-N 0 1 276.355 2.514 20 30 CFEDMN C#CCN1CCC(NC(=O)C[C@@H]2CCCC(C)(C)C2)CC1 ZINC001003976419 626275884 /nfs/dbraw/zinc/27/58/84/626275884.db2.gz RPFGHJMCBOKFIS-HNNXBMFYSA-N 0 1 290.451 2.807 20 30 CFEDMN C#CCN1CCC(NC(=O)c2c(C)csc2Cl)CC1 ZINC001004057671 626280265 /nfs/dbraw/zinc/28/02/65/626280265.db2.gz ABDGJGMVJSZPCY-UHFFFAOYSA-N 0 1 296.823 2.537 20 30 CFEDMN COc1cccc(CNCc2ccc(C)c(C#N)c2)n1 ZINC000922759816 626359776 /nfs/dbraw/zinc/35/97/76/626359776.db2.gz UXSAZJQLEYIOQB-UHFFFAOYSA-N 0 1 267.332 2.560 20 30 CFEDMN CC#CCN1CCC(N(C)C(=O)C[C@H]2CCC[C@@H]2C)CC1 ZINC001005433496 626415278 /nfs/dbraw/zinc/41/52/78/626415278.db2.gz OCHLPLFJWVXHAT-JKSUJKDBSA-N 0 1 290.451 2.759 20 30 CFEDMN C#CCN1CCC(N(C)C(=O)[C@H]2CCC[C@H]2CCC)CC1 ZINC001005629153 626418552 /nfs/dbraw/zinc/41/85/52/626418552.db2.gz PPBHSQUPXYCQRA-WBVHZDCISA-N 0 1 290.451 2.759 20 30 CFEDMN N#Cc1csc(CNCC[C@@H]2OCCc3ccccc32)n1 ZINC000922957664 626432871 /nfs/dbraw/zinc/43/28/71/626432871.db2.gz FDZNZWNZJZEHIU-HNNXBMFYSA-N 0 1 299.399 2.808 20 30 CFEDMN CC#CCN1CCC(N(C)C(=O)C2CC3(CCC3)C2)CC1 ZINC001005851134 626438480 /nfs/dbraw/zinc/43/84/80/626438480.db2.gz HJSRMRBIQDWTQN-UHFFFAOYSA-N 0 1 288.435 2.513 20 30 CFEDMN C#CCC1(NCc2csc([N+](=O)[O-])c2)CCC1 ZINC000922999754 626441111 /nfs/dbraw/zinc/44/11/11/626441111.db2.gz FHHWZRYUZKOHCN-UHFFFAOYSA-N 0 1 250.323 2.692 20 30 CFEDMN CC#CCN1CCC(N(C)C(=O)[C@@H]2CCC[C@H]2CC)CC1 ZINC001005948745 626453469 /nfs/dbraw/zinc/45/34/69/626453469.db2.gz PJTONXRNGIWLNO-NVXWUHKLSA-N 0 1 290.451 2.759 20 30 CFEDMN C=CCN1CC[C@H](NC(=O)c2ccc(CC)c(CC)c2)C1 ZINC001016444128 626482242 /nfs/dbraw/zinc/48/22/42/626482242.db2.gz SKNLNCICRXBJRO-KRWDZBQOSA-N 0 1 286.419 2.802 20 30 CFEDMN C=CCN1CC[C@@H](NC(=O)[C@@]2(C)CCc3ccccc3C2)C1 ZINC001016447517 626482781 /nfs/dbraw/zinc/48/27/81/626482781.db2.gz NITUKANVZRNLQV-MJGOQNOKSA-N 0 1 298.430 2.558 20 30 CFEDMN C#Cc1cccc(N(C)C(=O)c2cc(F)cc3[nH]cnc32)c1 ZINC000103102189 626499238 /nfs/dbraw/zinc/49/92/38/626499238.db2.gz WYYAXWJWYCZJTN-UHFFFAOYSA-N 0 1 293.301 2.960 20 30 CFEDMN N#CC(C(=O)C=C[C@@H]1CCCO1)c1nc(C2CC2)cs1 ZINC000842942133 626522974 /nfs/dbraw/zinc/52/29/74/626522974.db2.gz GJFDHDYPJIVIIB-ABZJQCSKSA-N 0 1 288.372 2.932 20 30 CFEDMN N#C[C@H](C(=O)C=C[C@@H]1CCCO1)c1nc(C2CC2)cs1 ZINC000842942133 626522975 /nfs/dbraw/zinc/52/29/75/626522975.db2.gz GJFDHDYPJIVIIB-ABZJQCSKSA-N 0 1 288.372 2.932 20 30 CFEDMN C[C@H](C#N)Oc1ccc(CN2CC3(CC(F)C3)C2)cc1 ZINC000839139843 626528340 /nfs/dbraw/zinc/52/83/40/626528340.db2.gz LQRVODHUAFEYCQ-GFCCVEGCSA-N 0 1 274.339 2.911 20 30 CFEDMN CCc1ccc(NC(=O)[C@H](C#N)C(=O)c2cscn2)cc1 ZINC000103330102 626531277 /nfs/dbraw/zinc/53/12/77/626531277.db2.gz FAEMHKXWWSCCJF-GFCCVEGCSA-N 0 1 299.355 2.667 20 30 CFEDMN CCc1ccc(NC(=O)C(C#N)C(=O)c2cscn2)cc1 ZINC000103330102 626531278 /nfs/dbraw/zinc/53/12/78/626531278.db2.gz FAEMHKXWWSCCJF-GFCCVEGCSA-N 0 1 299.355 2.667 20 30 CFEDMN C=C(Cl)CNC1(C(=O)NCCCC)CCCCC1 ZINC000839520046 626538122 /nfs/dbraw/zinc/53/81/22/626538122.db2.gz GQEVPYVGIUFQDH-UHFFFAOYSA-N 0 1 272.820 2.948 20 30 CFEDMN C#C[C@H](NCc1c(C)nn(CC(C)C)c1OCC)C(C)C ZINC000809685505 626548649 /nfs/dbraw/zinc/54/86/49/626548649.db2.gz XCKAAZKEUOCVDO-INIZCTEOSA-N 0 1 291.439 2.994 20 30 CFEDMN Cn1cc(/C=C/C(=O)c2ccc3ccccc3c2O)nn1 ZINC000757471316 626553112 /nfs/dbraw/zinc/55/31/12/626553112.db2.gz AVBWCVDATCAMQE-VQHVLOKHSA-N 0 1 279.299 2.570 20 30 CFEDMN CCC(=NNc1ccc(F)cc1F)c1ccn(C)n1 ZINC000758068320 626575646 /nfs/dbraw/zinc/57/56/46/626575646.db2.gz FISMLAHGMKPTEM-UHFFFAOYSA-N 0 1 264.279 2.925 20 30 CFEDMN Oc1cc(Cl)c(CN=Nc2cccnn2)cc1Cl ZINC000758110351 626576809 /nfs/dbraw/zinc/57/68/09/626576809.db2.gz NSBMFOMYKWFEQY-UHFFFAOYSA-N 0 1 283.118 2.935 20 30 CFEDMN O=[N+]([O-])c1cc(C=NNC2CC2)ccc1N1CCCCC1 ZINC000758132427 626578570 /nfs/dbraw/zinc/57/85/70/626578570.db2.gz FAGVAQOAVGBOHR-UHFFFAOYSA-N 0 1 288.351 2.671 20 30 CFEDMN C[C@@H]1CCN(Cn2cccc(C#N)c2=O)[C@@H]2CCCC[C@@H]12 ZINC000758202615 626582140 /nfs/dbraw/zinc/58/21/40/626582140.db2.gz AEVMSSFSHQZECH-VNQPRFMTSA-N 0 1 285.391 2.578 20 30 CFEDMN CC1CC(C#N)(C(=O)Nc2ccc(CN(C)C)c(F)c2)C1 ZINC000758261635 626586079 /nfs/dbraw/zinc/58/60/79/626586079.db2.gz MVFROQAXLQWYJF-UHFFFAOYSA-N 0 1 289.354 2.766 20 30 CFEDMN N#Cc1ccc2nc(-c3cn(-c4ccccc4)nn3)[nH]c2c1 ZINC000758439037 626593884 /nfs/dbraw/zinc/59/38/84/626593884.db2.gz IMIYYROOKALEBI-UHFFFAOYSA-N 0 1 286.298 2.682 20 30 CFEDMN CC[C@H](C(=O)OCc1cc(F)ccc1C#N)N(CC)CC ZINC000759360488 626649796 /nfs/dbraw/zinc/64/97/96/626649796.db2.gz ALQFISBCJFUVEL-OAHLLOKOSA-N 0 1 292.354 2.861 20 30 CFEDMN N#Cc1cnc(NC(=O)c2ccc(O)c(Cl)c2)s1 ZINC000759625699 626677282 /nfs/dbraw/zinc/67/72/82/626677282.db2.gz DOEJAPBIHFXPKE-UHFFFAOYSA-N 0 1 279.708 2.626 20 30 CFEDMN COc1cccc(NC(=O)C(C#N)C(=O)[C@@H]2CC23CCC3)c1 ZINC000759832922 626694566 /nfs/dbraw/zinc/69/45/66/626694566.db2.gz IYFOMQJBHFCDNR-KBPBESRZSA-N 0 1 298.342 2.533 20 30 CFEDMN N#CC(C(=O)Nc1ccccc1)C(=O)[C@H]1CC12CCC2 ZINC000759836479 626694769 /nfs/dbraw/zinc/69/47/69/626694769.db2.gz WXADFPFAIRWDHG-CHWSQXEVSA-N 0 1 268.316 2.524 20 30 CFEDMN CCC#C[C@H](C)N1CC[C@H](N(C)C(=O)OC(C)(C)C)C1 ZINC000759857220 626698056 /nfs/dbraw/zinc/69/80/56/626698056.db2.gz SXKXBRXBCGOXJE-KBPBESRZSA-N 0 1 280.412 2.730 20 30 CFEDMN CCCC[C@H](CC)CC=Nn1c(=O)c(C)n[nH]c1=S ZINC000760249980 626724370 /nfs/dbraw/zinc/72/43/70/626724370.db2.gz OOSMMXRVBOALKH-NSHDSACASA-N 0 1 282.413 2.676 20 30 CFEDMN Fc1ccc(NN=Cc2cccc(-n3cccn3)c2)nc1 ZINC000760252210 626724438 /nfs/dbraw/zinc/72/44/38/626724438.db2.gz BLXOQJGMGGCJNZ-UHFFFAOYSA-N 0 1 281.294 2.852 20 30 CFEDMN N#Cc1ccc2[nH]cc(CN=Nc3ccncc3Cl)c2c1 ZINC000760260146 626725877 /nfs/dbraw/zinc/72/58/77/626725877.db2.gz KYUOFNNHIMGZCR-UHFFFAOYSA-N 0 1 295.733 2.956 20 30 CFEDMN N#CC(C(=O)C[C@H]1CCc2ccccc2C1)c1ccncn1 ZINC000760336300 626735842 /nfs/dbraw/zinc/73/58/42/626735842.db2.gz XRRWOBPFBWFLQF-XJKSGUPXSA-N 0 1 291.354 2.848 20 30 CFEDMN N#C[C@H](C(=O)[C@H]1C[C@@]12CCc1ccccc12)c1ccncn1 ZINC000760340826 626737144 /nfs/dbraw/zinc/73/71/44/626737144.db2.gz OGQSPCWSCDNQIB-JCKWVBRZSA-N 0 1 289.338 2.557 20 30 CFEDMN N#CC(C(=O)CCc1cc(F)ccc1F)c1ccncn1 ZINC000760343690 626737570 /nfs/dbraw/zinc/73/75/70/626737570.db2.gz DLMABMFJZVRAHT-GFCCVEGCSA-N 0 1 287.269 2.564 20 30 CFEDMN CC[C@H](Oc1ccccc1C)C(=O)C(C#N)c1ccncn1 ZINC000760358161 626739360 /nfs/dbraw/zinc/73/93/60/626739360.db2.gz NKZWSZZLEVSGGY-ZFWWWQNUSA-N 0 1 295.342 2.819 20 30 CFEDMN CC(C)CC1CCN(CC(=O)N[C@@](C)(C#N)C(C)C)CC1 ZINC000760931450 626785656 /nfs/dbraw/zinc/78/56/56/626785656.db2.gz BMPNPFGZKZTGQE-KRWDZBQOSA-N 0 1 293.455 2.799 20 30 CFEDMN C[C@@H]1CC(N=Nc2cc(F)c(F)cc2F)CN1C ZINC000761810117 626860001 /nfs/dbraw/zinc/86/00/01/626860001.db2.gz QPSKBFSWFQCICK-SSDOTTSWSA-N 0 1 257.259 2.596 20 30 CFEDMN Cc1cccc(CN=Nc2cnn(C)c2)c1OC(F)F ZINC000761867038 626866872 /nfs/dbraw/zinc/86/68/72/626866872.db2.gz AGXRLUIPJFZBOU-UHFFFAOYSA-N 0 1 280.278 2.776 20 30 CFEDMN C#CCN1CCC[C@@H]1COC(=O)[C@@H](C)C(CC)CC ZINC000762063283 626885410 /nfs/dbraw/zinc/88/54/10/626885410.db2.gz UQQBLJYDAKGYRR-DZGCQCFKSA-N 0 1 265.397 2.700 20 30 CFEDMN C=CC[C@@H](NC(=O)CN1CCC(C)CC1)c1ccncc1 ZINC000762219542 626904482 /nfs/dbraw/zinc/90/44/82/626904482.db2.gz AOMPNWZLAAFOFP-MRXNPFEDSA-N 0 1 287.407 2.547 20 30 CFEDMN COc1ccc(CN=Nc2ccc(F)cn2)s1 ZINC000763175267 626968671 /nfs/dbraw/zinc/96/86/71/626968671.db2.gz HIFDXSNDBSXYJH-UHFFFAOYSA-N 0 1 251.286 2.737 20 30 CFEDMN C[C@H]1CC(=NC(=O)c2ccc(Oc3ccccc3)o2)NO1 ZINC000763257418 626973729 /nfs/dbraw/zinc/97/37/29/626973729.db2.gz CFIWKNJTRWVJMN-JTQLQIEISA-N 0 1 286.287 2.924 20 30 CFEDMN Cc1nc(-c2ccccc2)ccc1C(=O)NC1=NO[C@@H](C)C1 ZINC000763261352 626974274 /nfs/dbraw/zinc/97/42/74/626974274.db2.gz QYSJMRBMAMUHKD-NSHDSACASA-N 0 1 295.342 2.909 20 30 CFEDMN CC(=NNc1ncnc2nc[nH]c21)c1cc(C)ccc1F ZINC000763357029 626982563 /nfs/dbraw/zinc/98/25/63/626982563.db2.gz WHCWFGYWWSVYFX-UHFFFAOYSA-N 0 1 284.298 2.637 20 30 CFEDMN Cc1cc(C(C#N)C(=O)C2Cc3ccccc3C2)nc(C)n1 ZINC000763928142 627022963 /nfs/dbraw/zinc/02/29/63/627022963.db2.gz BAPZQNMFWMOOPK-INIZCTEOSA-N 0 1 291.354 2.685 20 30 CFEDMN C#CCN1CCC[C@H]1COC(=O)c1cc(C)c(F)c(C)c1 ZINC000764626005 627077585 /nfs/dbraw/zinc/07/75/85/627077585.db2.gz PLIBTPGXXSRJLM-HNNXBMFYSA-N 0 1 289.350 2.697 20 30 CFEDMN C#CC[N@@H+](Cc1cc(Br)ccc1[O-])C1CC1 ZINC000764678008 627083466 /nfs/dbraw/zinc/08/34/66/627083466.db2.gz ZBZWLZNFOAGHBY-UHFFFAOYSA-N 0 1 280.165 2.752 20 30 CFEDMN C#CC[N@H+](Cc1cc(Br)ccc1[O-])C1CC1 ZINC000764678008 627083469 /nfs/dbraw/zinc/08/34/69/627083469.db2.gz ZBZWLZNFOAGHBY-UHFFFAOYSA-N 0 1 280.165 2.752 20 30 CFEDMN CC#CCCN1CCN(C(=O)OC(C)(C)C)CC1(C)C ZINC000764974745 627109980 /nfs/dbraw/zinc/10/99/80/627109980.db2.gz HNJWTVNEDLHJTK-UHFFFAOYSA-N 0 1 280.412 2.731 20 30 CFEDMN CC#CCCN1C[C@H](C)N(C(=O)OC(C)(C)C)C[C@H]1C ZINC000764980766 627110391 /nfs/dbraw/zinc/11/03/91/627110391.db2.gz FWCNUSDYLUKNDS-KGLIPLIRSA-N 0 1 280.412 2.730 20 30 CFEDMN C#CCCOC(=O)[C@@H]1CCCN(Cc2cccc(F)c2)C1 ZINC000765483804 627141442 /nfs/dbraw/zinc/14/14/42/627141442.db2.gz YSJLUBRGMXKBFW-OAHLLOKOSA-N 0 1 289.350 2.604 20 30 CFEDMN CCN1C[C@H](C)N(C(=O)/C=C\c2ccccc2C#N)C[C@@H]1C ZINC000765932572 627164680 /nfs/dbraw/zinc/16/46/80/627164680.db2.gz NELDPHORCSIDLS-KZZSIXTMSA-N 0 1 297.402 2.513 20 30 CFEDMN N#C[C@@H]1CCC[C@@H](NCc2nnc(-c3ccccc3)[nH]2)C1 ZINC000765942116 627165812 /nfs/dbraw/zinc/16/58/12/627165812.db2.gz YDHLZJDULZYSFK-TZMCWYRMSA-N 0 1 281.363 2.644 20 30 CFEDMN CC1(C=Nn2c(=O)c3ccccc3[nH]c2=S)CCC1 ZINC000766002377 627170257 /nfs/dbraw/zinc/17/02/57/627170257.db2.gz OBNNSFAOOAPFRI-UHFFFAOYSA-N 0 1 273.361 2.709 20 30 CFEDMN CC(C)O[C@@H]1C[C@@H](NC[C@@H](C#N)CCC#N)C1(C)C ZINC000766039940 627173648 /nfs/dbraw/zinc/17/36/48/627173648.db2.gz ZLXXCIVDNPPOCU-MGPQQGTHSA-N 0 1 263.385 2.612 20 30 CFEDMN C[C@@H]1CCC[C@H](N(C)Cn2cc3c(c(C#N)c2=O)CCC3)C1 ZINC000766611469 627211217 /nfs/dbraw/zinc/21/12/17/627211217.db2.gz GBSUTDTUQZVXLE-HIFRSBDPSA-N 0 1 299.418 2.677 20 30 CFEDMN C[C@@H]1CCC[C@@H](C)[N@@H+](Cn2cc3c(c(C#N)c2=O)CCC3)C1 ZINC000766636643 627212289 /nfs/dbraw/zinc/21/22/89/627212289.db2.gz IGRUDOUGIHUSBN-ZIAGYGMSSA-N 0 1 299.418 2.677 20 30 CFEDMN C[C@@H]1CCC[C@@H](C)N(Cn2cc3c(c(C#N)c2=O)CCC3)C1 ZINC000766636643 627212291 /nfs/dbraw/zinc/21/22/91/627212291.db2.gz IGRUDOUGIHUSBN-ZIAGYGMSSA-N 0 1 299.418 2.677 20 30 CFEDMN C#CCCCN1CCN(C(=O)CCC2CCCCC2)CC1 ZINC000766895738 627225267 /nfs/dbraw/zinc/22/52/67/627225267.db2.gz RWGOCZUGQXVCDF-UHFFFAOYSA-N 0 1 290.451 2.905 20 30 CFEDMN C[C@@H](C#N)CN=NC1C[C@H](C)CN(Cc2ccccc2)C1 ZINC000767388409 627247376 /nfs/dbraw/zinc/24/73/76/627247376.db2.gz SSCJCDNARGWQCF-GJZGRUSLSA-N 0 1 284.407 2.634 20 30 CFEDMN C#C[C@@H](OC(=O)c1[nH]c(-c2ccccc2)nc1C)C1CC1 ZINC000767529829 627259199 /nfs/dbraw/zinc/25/91/99/627259199.db2.gz UTKBETDSDGIYAW-CQSZACIVSA-N 0 1 280.327 2.954 20 30 CFEDMN C#C[C@H](NCc1ccc(C)c(Cl)c1)[C@@H]1CCCO1 ZINC000767684955 627274386 /nfs/dbraw/zinc/27/43/86/627274386.db2.gz REKAMPYIDVGJBS-GJZGRUSLSA-N 0 1 263.768 2.919 20 30 CFEDMN Fc1cc2[nH]c([N-]N=Cc3cncs3)[nH+]c2cc1F ZINC000767767742 627284220 /nfs/dbraw/zinc/28/42/20/627284220.db2.gz NXQLWPPHDZLPCH-UHFFFAOYSA-N 0 1 279.275 2.744 20 30 CFEDMN Fc1cc2nc(NN=Cc3cncs3)[nH]c2cc1F ZINC000767767742 627284223 /nfs/dbraw/zinc/28/42/23/627284223.db2.gz NXQLWPPHDZLPCH-UHFFFAOYSA-N 0 1 279.275 2.744 20 30 CFEDMN COc1ccc(N=NC(C)c2cncs2)c([N+](=O)[O-])c1 ZINC000767801769 627286497 /nfs/dbraw/zinc/28/64/97/627286497.db2.gz ULYQQPKMMOPGKQ-UHFFFAOYSA-N 0 1 292.320 2.896 20 30 CFEDMN COc1ccc(NN=C(C)c2ccncc2)c([N+](=O)[O-])c1 ZINC000767801767 627286656 /nfs/dbraw/zinc/28/66/56/627286656.db2.gz UJQIJKQWELPYQJ-UHFFFAOYSA-N 0 1 286.291 2.835 20 30 CFEDMN C#C[C@@H](CC)OC(=O)c1cc(-c2ccc(C)o2)n[nH]1 ZINC000768058448 627309950 /nfs/dbraw/zinc/30/99/50/627309950.db2.gz HYNLUKRHDFVKOT-JTQLQIEISA-N 0 1 258.277 2.547 20 30 CFEDMN C#CCN(CC)Cc1ccc(OCC=C)c(OC)c1 ZINC000769111480 627403722 /nfs/dbraw/zinc/40/37/22/627403722.db2.gz OXXMIFFOSSWZJI-UHFFFAOYSA-N 0 1 259.349 2.715 20 30 CFEDMN Cc1cc(NN=Cc2cn(C)nc2-c2cccs2)ncn1 ZINC000769587292 627458536 /nfs/dbraw/zinc/45/85/36/627458536.db2.gz VLDWPOUKEVOBCD-UHFFFAOYSA-N 0 1 298.375 2.693 20 30 CFEDMN O=[N+]([O-])c1cc(NN=C2CCn3cccc32)ccc1F ZINC000769828972 627479615 /nfs/dbraw/zinc/47/96/15/627479615.db2.gz MPMYQGOQEOWWJE-UHFFFAOYSA-N 0 1 274.255 2.755 20 30 CFEDMN CCCCCCCC(=O)N1CCN(C)[C@@H](C)[C@H]1C ZINC000771409315 627602487 /nfs/dbraw/zinc/60/24/87/627602487.db2.gz XYEBVHCOLNVICB-UONOGXRCSA-N 0 1 254.418 2.898 20 30 CFEDMN CN1CCN(c2ccc(/C=C/C(=O)c3ccco3)cc2)CC1 ZINC000771526163 627611115 /nfs/dbraw/zinc/61/11/15/627611115.db2.gz UXFTUBCUSZHTMA-RMKNXTFCSA-N 0 1 296.370 2.928 20 30 CFEDMN C[C@@H](CC#N)N=NC1C[C@@H](C)N(Cc2ccccc2)C1 ZINC000771885990 627642763 /nfs/dbraw/zinc/64/27/63/627642763.db2.gz MRQCXQSUBLVRFY-UONOGXRCSA-N 0 1 270.380 2.529 20 30 CFEDMN C#CCN1CCC(C(=O)OCCCc2cccc(C)c2)CC1 ZINC000772124339 627675713 /nfs/dbraw/zinc/67/57/13/627675713.db2.gz WUWSDFJRQOTRGZ-UHFFFAOYSA-N 0 1 299.414 2.816 20 30 CFEDMN CCOCCN(C)Cc1cc(Cl)ccc1OCC#N ZINC000772374431 627705593 /nfs/dbraw/zinc/70/55/93/627705593.db2.gz JTAHDJHSYJRJTI-UHFFFAOYSA-N 0 1 282.771 2.711 20 30 CFEDMN Cc1cc(Br)cc(CN=Nc2cnn(C)c2)c1 ZINC000773075828 627779257 /nfs/dbraw/zinc/77/92/57/627779257.db2.gz ZDNKNPKNOSSTIH-UHFFFAOYSA-N 0 1 293.168 2.937 20 30 CFEDMN Cc1ncsc1C=NNc1nccnc1C(C)C ZINC000773086458 627782078 /nfs/dbraw/zinc/78/20/78/627782078.db2.gz REQOTSFSAXYEMY-UHFFFAOYSA-N 0 1 261.354 2.811 20 30 CFEDMN C#CCOc1ccc([C@H](C)NCc2cc(C)ncn2)cc1 ZINC000773106132 627784581 /nfs/dbraw/zinc/78/45/81/627784581.db2.gz KFTFLASNNMKZKU-AWEZNQCLSA-N 0 1 281.359 2.648 20 30 CFEDMN COc1cc(C(C)=NOC2CCCC2)cc([N+](=O)[O-])c1O ZINC000774602489 627941190 /nfs/dbraw/zinc/94/11/90/627941190.db2.gz KQJWEDGRYGAIOD-UHFFFAOYSA-N 0 1 294.307 2.992 20 30 CFEDMN Cn1cnc2cc(CNCc3cc(C#N)ccc3F)ccc21 ZINC000774815754 627966265 /nfs/dbraw/zinc/96/62/65/627966265.db2.gz HMLJBMNGALDSDE-UHFFFAOYSA-N 0 1 294.333 2.874 20 30 CFEDMN CC(C)CO[C@@H]1C[C@H](NCc2nc(C#N)cs2)C1(C)C ZINC000810146441 627978885 /nfs/dbraw/zinc/97/88/85/627978885.db2.gz QTKUOTSFGDNHKW-QWHCGFSZSA-N 0 1 293.436 2.944 20 30 CFEDMN C#C[C@@H](NCc1ccc(F)c(Cl)c1)[C@H]1CCCO1 ZINC000775342468 628012473 /nfs/dbraw/zinc/01/24/73/628012473.db2.gz RQGGUDHYRJZLAO-ZIAGYGMSSA-N 0 1 267.731 2.750 20 30 CFEDMN C#CCOc1ccc([C@H](C)N[C@H](C#C)[C@@H]2CCCO2)cc1 ZINC000775571088 628039135 /nfs/dbraw/zinc/03/91/35/628039135.db2.gz AAYKYEINWPOEFA-QGTPRVQTSA-N 0 1 283.371 2.530 20 30 CFEDMN C#C[C@H](N[C@@H](C)c1ccc2c(c1)COC2)[C@H]1CCCO1 ZINC000775571962 628040339 /nfs/dbraw/zinc/04/03/39/628040339.db2.gz NJUCQGUFWGZQPO-AFAVFJNCSA-N 0 1 271.360 2.548 20 30 CFEDMN C#C[C@H](N[C@H]1CCc2c1cccc2F)[C@H]1CCCO1 ZINC000775573286 628041255 /nfs/dbraw/zinc/04/12/55/628041255.db2.gz GOLBHRAQSPYKAA-HRCADAONSA-N 0 1 259.324 2.583 20 30 CFEDMN C#C[C@H](N[C@@H](C)c1ccc(F)c(F)c1)[C@H]1CCCO1 ZINC000775573365 628041269 /nfs/dbraw/zinc/04/12/69/628041269.db2.gz HPOPOVMOYIDGOX-NZVBXONLSA-N 0 1 265.303 2.796 20 30 CFEDMN C#C[C@H](N[C@@H]1CCCc2cc(C#N)ccc21)[C@H]1CCCO1 ZINC000775574062 628041351 /nfs/dbraw/zinc/04/13/51/628041351.db2.gz NJPKGPGPJKQVPJ-RCCFBDPRSA-N 0 1 280.371 2.706 20 30 CFEDMN C#C[C@H](N[C@H]1CCCc2cc(C#N)ccc21)[C@H]1CCCO1 ZINC000775574061 628041538 /nfs/dbraw/zinc/04/15/38/628041538.db2.gz NJPKGPGPJKQVPJ-OKZBNKHCSA-N 0 1 280.371 2.706 20 30 CFEDMN C#C[C@H](N[C@H]1CCCc2ccc(OC)cc21)[C@@H]1CCCO1 ZINC000775573235 628041697 /nfs/dbraw/zinc/04/16/97/628041697.db2.gz XTQPUMKCSXZQED-BZSNNMDCSA-N 0 1 285.387 2.843 20 30 CFEDMN C#C[C@H](N[C@@H](C)c1cccc(OCC)c1)[C@@H]1CCCO1 ZINC000775575869 628042861 /nfs/dbraw/zinc/04/28/61/628042861.db2.gz ZWHSHMHQNJOEIE-JQFCIGGWSA-N 0 1 273.376 2.917 20 30 CFEDMN C#C[C@@H](NCCOc1ccc(SC)cc1)[C@H]1CCCO1 ZINC000775797126 628069932 /nfs/dbraw/zinc/06/99/32/628069932.db2.gz APLSQLSSKPTKBH-HZPDHXFCSA-N 0 1 291.416 2.558 20 30 CFEDMN C#C[C@H](N[C@@H](CCOC)c1ccccc1)[C@H]1CCCO1 ZINC000775795256 628070078 /nfs/dbraw/zinc/07/00/78/628070078.db2.gz VRBGEWOQENIMBQ-YESZJQIVSA-N 0 1 273.376 2.535 20 30 CFEDMN Fc1cc(Cl)cc(C=NNCCN2CCCCC2)c1 ZINC000776723766 628170710 /nfs/dbraw/zinc/17/07/10/628170710.db2.gz LLGCJKBTDQQRPL-UHFFFAOYSA-N 0 1 283.778 2.889 20 30 CFEDMN C[C@H]1CC(=NC(=O)c2cc3ccc(F)cc3s2)NO1 ZINC000777437239 628225225 /nfs/dbraw/zinc/22/52/25/628225225.db2.gz WNMGXMBBAHJWND-ZETCQYMHSA-N 0 1 278.308 2.893 20 30 CFEDMN C[C@@H]1CC(=NOCCC(F)(F)F)CN1C1CC1 ZINC000777462696 628228304 /nfs/dbraw/zinc/22/83/04/628228304.db2.gz HVUCEVQREYZXTH-MRVPVSSYSA-N 0 1 250.264 2.568 20 30 CFEDMN CCC#C[C@@H](C)[N@H+]1CC[C@](O)(c2ccc(F)cc2)C1 ZINC000777737268 628250402 /nfs/dbraw/zinc/25/04/02/628250402.db2.gz VSOSGQZCMHDBAB-CZUORRHYSA-N 0 1 261.340 2.521 20 30 CFEDMN C[C@H]1CC(N=Nc2cc(Cl)ccn2)CN1C1CC1 ZINC000777906235 628263861 /nfs/dbraw/zinc/26/38/61/628263861.db2.gz GXTCUXMJORVGBB-VIFPVBQESA-N 0 1 264.760 2.760 20 30 CFEDMN Cc1ncc(CN=Nc2cc(Cl)ccn2)s1 ZINC000777906663 628264550 /nfs/dbraw/zinc/26/45/50/628264550.db2.gz KCPZWUGRVRCGQK-UHFFFAOYSA-N 0 1 252.730 2.946 20 30 CFEDMN C#CCOc1cccc(Cl)c1CN[C@@H](C)C[C@@H](C)O ZINC000778176156 628284109 /nfs/dbraw/zinc/28/41/09/628284109.db2.gz AJDSBFUXGROZDY-NWDGAFQWSA-N 0 1 281.783 2.601 20 30 CFEDMN C#CCN1CCC[C@H]1COC(=O)[C@@H](CC=C)c1ccccc1 ZINC000778633606 628321425 /nfs/dbraw/zinc/32/14/25/628321425.db2.gz GYKWYOWKTLEKNT-ROUUACIJSA-N 0 1 297.398 2.987 20 30 CFEDMN C#CCCCCCOC(=O)[C@H](C)N1CCCCCC1 ZINC000778708973 628327170 /nfs/dbraw/zinc/32/71/70/628327170.db2.gz CRYGRFXLEXQOLC-HNNXBMFYSA-N 0 1 265.397 2.988 20 30 CFEDMN CC(C)(C(=O)OCC#Cc1ccc(F)cc1)N1CCCC1 ZINC000805614367 628329253 /nfs/dbraw/zinc/32/92/53/628329253.db2.gz OMJHFAKUYJPPKC-UHFFFAOYSA-N 0 1 289.350 2.595 20 30 CFEDMN C#CCOc1ccc(CN2CC[C@H](C)[C@@H](F)C2)cc1 ZINC000779151117 628355933 /nfs/dbraw/zinc/35/59/33/628355933.db2.gz VKUFETKNJIUBJU-BBRMVZONSA-N 0 1 261.340 2.879 20 30 CFEDMN C#C[C@@](C)(CC)N[C@@H](CC)C(=O)Nc1ccc(OC)cc1 ZINC000852099197 634653082 /nfs/dbraw/zinc/65/30/82/634653082.db2.gz GQHDDLFGYRXKNX-RDJZCZTQSA-N 0 1 288.391 2.804 20 30 CFEDMN C[C@@H]1CC(N=Nc2ccncc2)CN1Cc1ccccc1 ZINC000779811227 628409704 /nfs/dbraw/zinc/40/97/04/628409704.db2.gz NDSYZLUEENNANY-CQSZACIVSA-N 0 1 280.375 2.566 20 30 CFEDMN COc1cccc(NN=C2CCc3c2cccc3F)n1 ZINC000779819282 628410754 /nfs/dbraw/zinc/41/07/54/628410754.db2.gz MEFIIAUXMSWJPP-UHFFFAOYSA-N 0 1 271.295 2.992 20 30 CFEDMN C#C[C@](C)(CC)NCC(=O)Nc1c(C)cccc1Cl ZINC000852099747 634654765 /nfs/dbraw/zinc/65/47/65/634654765.db2.gz AQDLTPDXRNACGT-OAHLLOKOSA-N 0 1 278.783 2.978 20 30 CFEDMN CC1(C)C[C@H](NN=Cc2cc(F)c(O)c(F)c2)CCO1 ZINC000780246866 628444339 /nfs/dbraw/zinc/44/43/39/628444339.db2.gz LRGGOJJTMYIYKD-SNVBAGLBSA-N 0 1 284.306 2.552 20 30 CFEDMN C#C[C@@](C)(CC)NCC(=O)Nc1cc(C)cc(C)c1 ZINC000852101587 634656127 /nfs/dbraw/zinc/65/61/27/634656127.db2.gz SDTNCCDEGYRZSZ-INIZCTEOSA-N 0 1 258.365 2.633 20 30 CFEDMN Cc1cc([C@H](C#N)C(=O)c2cccc(Cl)n2)nc(C)n1 ZINC000780304505 628453968 /nfs/dbraw/zinc/45/39/68/628453968.db2.gz UKNRVYKIBSPBRW-JTQLQIEISA-N 0 1 286.722 2.632 20 30 CFEDMN Cc1cc(C(C#N)C(=O)c2cccc(Cl)n2)nc(C)n1 ZINC000780304505 628453970 /nfs/dbraw/zinc/45/39/70/628453970.db2.gz UKNRVYKIBSPBRW-JTQLQIEISA-N 0 1 286.722 2.632 20 30 CFEDMN C#C[C@](C)(CC)N[C@@H]1CCN(c2ccccc2Cl)C1=O ZINC000852102724 634657730 /nfs/dbraw/zinc/65/77/30/634657730.db2.gz OWPXFNLPOVMEEM-CZUORRHYSA-N 0 1 290.794 2.837 20 30 CFEDMN N#Cc1ccc(CNCc2cccc(OC(F)F)c2)nc1 ZINC000780556287 628475841 /nfs/dbraw/zinc/47/58/41/628475841.db2.gz WJIPFQCTLSPUID-UHFFFAOYSA-N 0 1 289.285 2.844 20 30 CFEDMN N#Cc1ccc(CNCc2cnc(-c3ccccc3)[nH]2)nc1 ZINC000780556662 628475930 /nfs/dbraw/zinc/47/59/30/628475930.db2.gz OZTKTGMQWJZHCQ-UHFFFAOYSA-N 0 1 289.342 2.633 20 30 CFEDMN Fc1cc(N=NC2CCN(Cc3ccccc3)C2)ccn1 ZINC000781130513 628524519 /nfs/dbraw/zinc/52/45/19/628524519.db2.gz WOYPQNNYWQBFGT-UHFFFAOYSA-N 0 1 284.338 2.895 20 30 CFEDMN N#CCOc1ccc(CN2CCC[C@H](OC(F)F)C2)cc1 ZINC000781353442 628542500 /nfs/dbraw/zinc/54/25/00/628542500.db2.gz JQOAFUYHMJFGCK-AWEZNQCLSA-N 0 1 296.317 2.793 20 30 CFEDMN C[C@]1(C(=O)C(C#N)c2nc3ccccc3o2)CCCOC1 ZINC000781448722 628548750 /nfs/dbraw/zinc/54/87/50/628548750.db2.gz PKTWJQCGGGUPJR-BZNIZROVSA-N 0 1 284.315 2.821 20 30 CFEDMN COc1ccc(NN=Cc2ncccc2C)c([N+](=O)[O-])c1 ZINC000781597861 628564166 /nfs/dbraw/zinc/56/41/66/628564166.db2.gz ZQVAJNKAZBOHTD-UHFFFAOYSA-N 0 1 286.291 2.753 20 30 CFEDMN CC1(C)CC[C@H](C(=O)C(C#N)C(=O)NC2CCCC2)C1 ZINC000781768274 628579531 /nfs/dbraw/zinc/57/95/31/628579531.db2.gz DLINLJHBKJNTDI-WCQYABFASA-N 0 1 276.380 2.580 20 30 CFEDMN C#C[C@@H](NCc1ccc2nc(C)ccc2c1)[C@H]1CCCO1 ZINC000782530894 628643382 /nfs/dbraw/zinc/64/33/82/628643382.db2.gz ORZCFOXDXRLOAJ-SJLPKXTDSA-N 0 1 280.371 2.814 20 30 CFEDMN C#CCCN1CC[C@H]1CN(C)C(=O)c1csc(Cl)c1 ZINC001085854073 782187667 /nfs/dbraw/zinc/18/76/67/782187667.db2.gz OZNYZOIPSWDJDM-LBPRGKRZSA-N 0 1 296.823 2.571 20 30 CFEDMN CC(=[NH+][N-]c1ccc(C)nn1)c1ccc(N)cc1Cl ZINC000782903993 628662666 /nfs/dbraw/zinc/66/26/66/628662666.db2.gz RUJFQQNLUWPOTE-UHFFFAOYSA-N 0 1 275.743 2.857 20 30 CFEDMN Cc1nc2c(s1)[C@@H](NCc1ccc(C#N)cn1)CCC2 ZINC000783300497 628698720 /nfs/dbraw/zinc/69/87/20/628698720.db2.gz NRYYBQPESVYJMO-ZDUSSCGKSA-N 0 1 284.388 2.885 20 30 CFEDMN CC(=O)Nc1ccc([C@@H](C)NCc2ccc(C#N)cn2)cc1 ZINC000783301566 628698918 /nfs/dbraw/zinc/69/89/18/628698918.db2.gz YPGGXVIORDRYPU-GFCCVEGCSA-N 0 1 294.358 2.762 20 30 CFEDMN CON=C(C)c1cc(Br)cc(F)c1O ZINC000783824332 628748109 /nfs/dbraw/zinc/74/81/09/628748109.db2.gz QJMIKJRCQWNODD-UHFFFAOYSA-N 0 1 262.078 2.664 20 30 CFEDMN Cc1nn(-c2ccncc2)cc1C=NOC1CCCC1 ZINC000783859083 628750864 /nfs/dbraw/zinc/75/08/64/628750864.db2.gz IVBTTYXBCKRDKV-UHFFFAOYSA-N 0 1 270.336 2.869 20 30 CFEDMN C=CCCN(OCc1ccccc1)C(=O)CN(CC)CC ZINC000783873151 628752375 /nfs/dbraw/zinc/75/23/75/628752375.db2.gz JJTIYTSVOADYJK-UHFFFAOYSA-N 0 1 290.407 2.865 20 30 CFEDMN C=CCCCCCOC(=O)C(C)(C)NC(=O)C(F)(F)F ZINC000784974815 628857718 /nfs/dbraw/zinc/85/77/18/628857718.db2.gz UYGAQHUTXIEFDA-UHFFFAOYSA-N 0 1 295.301 2.733 20 30 CFEDMN C#CCOCCN(C)Cc1ccc(Cl)c(F)c1 ZINC000785477551 628886826 /nfs/dbraw/zinc/88/68/26/628886826.db2.gz FMUKJIVVWVUUME-UHFFFAOYSA-N 0 1 255.720 2.561 20 30 CFEDMN C=C[C@@H]1CCCCN1C[C@@H](O)c1cc(OC)ccc1OC ZINC000785997212 628929074 /nfs/dbraw/zinc/92/90/74/628929074.db2.gz KBVZPIYIZBGXNH-CZUORRHYSA-N 0 1 291.391 2.778 20 30 CFEDMN CCCC(C)(C)CC(=O)[C@H](C#N)C(=O)NC1CCCC1 ZINC000786323077 628948286 /nfs/dbraw/zinc/94/82/86/628948286.db2.gz NDWJKEVVUWPJNY-ZDUSSCGKSA-N 0 1 278.396 2.970 20 30 CFEDMN C#C[C@H](N[C@H](C)[C@@H](OC)c1ccccc1)[C@@H]1CCCO1 ZINC000786915986 628984478 /nfs/dbraw/zinc/98/44/78/628984478.db2.gz GJCPLSDZDSOHEU-BSWAZPDLSA-N 0 1 273.376 2.533 20 30 CFEDMN CC(=O)C(C#N)C(=O)N[C@@H](C)c1ccc(Cl)cc1Cl ZINC000787051901 628990571 /nfs/dbraw/zinc/99/05/71/628990571.db2.gz VQXCQSCWJQLONB-CPCISQLKSA-N 0 1 299.157 2.899 20 30 CFEDMN CCc1ccc(C(=O)Nc2cc(C#N)ccc2O)c(O)c1 ZINC000787155653 628996752 /nfs/dbraw/zinc/99/67/52/628996752.db2.gz SPIMYAATJRWXEU-UHFFFAOYSA-N 0 1 282.299 2.784 20 30 CFEDMN N#CCCCCCC(=O)C(C#N)C(=O)NC1CCCCC1 ZINC000805854450 629038088 /nfs/dbraw/zinc/03/80/88/629038088.db2.gz VVUAIYYQZYEGDT-CQSZACIVSA-N 0 1 289.379 2.618 20 30 CFEDMN CC(C)NC(=O)C(C#N)C(=O)CCCCC(C)(C)C ZINC000805855156 629038994 /nfs/dbraw/zinc/03/89/94/629038994.db2.gz FEDOJPWPMPYUJF-GFCCVEGCSA-N 0 1 266.385 2.826 20 30 CFEDMN C=CCCN1CC[C@@H]1CN(C)C(=O)c1cc(C(C)C)no1 ZINC001085854428 782187789 /nfs/dbraw/zinc/18/77/89/782187789.db2.gz YIECKSBYNHHZLK-CYBMUJFWSA-N 0 1 291.395 2.520 20 30 CFEDMN Cc1cc(N=NCc2ncc(C(F)(F)F)s2)ncn1 ZINC000788429051 629065490 /nfs/dbraw/zinc/06/54/90/629065490.db2.gz FYVJZPQCMYXVSG-UHFFFAOYSA-N 0 1 287.270 2.706 20 30 CFEDMN N#Cc1cnc2c(c1)CCCC2=NNc1ccncc1Cl ZINC000788432968 629066231 /nfs/dbraw/zinc/06/62/31/629066231.db2.gz ILFKCTVNQJIYMM-UHFFFAOYSA-N 0 1 297.749 2.576 20 30 CFEDMN COc1cc(NN=Cc2[nH]cnc2C)ccc1Cl ZINC000788472592 629072416 /nfs/dbraw/zinc/07/24/16/629072416.db2.gz XIABWYXGDKBJLE-UHFFFAOYSA-N 0 1 264.716 2.826 20 30 CFEDMN O=c1[nH]c(N=NCCC2CCOCC2)nc2ccccc21 ZINC000788718245 629094142 /nfs/dbraw/zinc/09/41/42/629094142.db2.gz NLOAWPMIEOGXOM-UHFFFAOYSA-N 0 1 286.335 2.550 20 30 CFEDMN Cc1cc2[nH]ncc2cc1N=Cc1ccc(O)c(O)c1O ZINC000790100415 629210913 /nfs/dbraw/zinc/21/09/13/629210913.db2.gz UFTVQAZZPUSCKG-UHFFFAOYSA-N 0 1 283.287 2.739 20 30 CFEDMN CC(=NNc1ncccc1C)c1ccc2c(c1)OCCO2 ZINC000790186720 629217392 /nfs/dbraw/zinc/21/73/92/629217392.db2.gz QBUNSYYEXYWMOV-UHFFFAOYSA-N 0 1 283.331 2.997 20 30 CFEDMN Cc1cccn2c(CN=Nc3ncccc3C)cnc12 ZINC000790188379 629217633 /nfs/dbraw/zinc/21/76/33/629217633.db2.gz YCDMJXYAAVLBTM-UHFFFAOYSA-N 0 1 265.320 2.792 20 30 CFEDMN COc1ccc(CN=Nc2ncccc2C)cc1OC ZINC000790190917 629218162 /nfs/dbraw/zinc/21/81/62/629218162.db2.gz NLKUWJUDEOIQJV-UHFFFAOYSA-N 0 1 271.320 2.853 20 30 CFEDMN CC(=NNc1ncccc1C)c1cc(O)cc(O)c1 ZINC000790194083 629218415 /nfs/dbraw/zinc/21/84/15/629218415.db2.gz VFHYULHWEISCAM-UHFFFAOYSA-N 0 1 257.293 2.637 20 30 CFEDMN C=CCN(C(C)C)[C@H]1CCN(c2ccccc2OC)C1=O ZINC000790267291 629224035 /nfs/dbraw/zinc/22/40/35/629224035.db2.gz UMUGETNTEYNLRD-HNNXBMFYSA-N 0 1 288.391 2.697 20 30 CFEDMN Cn1ccnc1N=NCc1ccc2c(c1)CC(C)(C)O2 ZINC000790300072 629227305 /nfs/dbraw/zinc/22/73/05/629227305.db2.gz PDLWVLCSLNYAEW-UHFFFAOYSA-N 0 1 270.336 2.580 20 30 CFEDMN C=CCNCc1cnn(Cc2ccccc2)c1Cl ZINC000790503508 629244003 /nfs/dbraw/zinc/24/40/03/629244003.db2.gz ZMEHAQUSIDIKDX-UHFFFAOYSA-N 0 1 261.756 2.860 20 30 CFEDMN N#CC[C@@H]1CCCN(C[C@H](O)c2cccc(Cl)c2)C1 ZINC000852318820 634720236 /nfs/dbraw/zinc/72/02/36/634720236.db2.gz CCFOJIHDNYSDIG-WFASDCNBSA-N 0 1 278.783 2.999 20 30 CFEDMN N#CC[C@@H]1CCCN(C[C@H](O)c2ccccc2Cl)C1 ZINC000852320062 634720669 /nfs/dbraw/zinc/72/06/69/634720669.db2.gz VOZXYWMRMWTYRS-WFASDCNBSA-N 0 1 278.783 2.999 20 30 CFEDMN C#CCO[C@H](C)C(=O)C(C#N)c1nc2ccccc2s1 ZINC000835039277 629333707 /nfs/dbraw/zinc/33/37/07/629333707.db2.gz CQFUFLQJCFWCRA-MNOVXSKESA-N 0 1 284.340 2.511 20 30 CFEDMN C#C[C@H](NC/C=C\c1ccc(N(C)C)cc1)[C@H]1CCCO1 ZINC000835047994 629346629 /nfs/dbraw/zinc/34/66/29/629346629.db2.gz XPQFTUMMDPBUIY-QGNVGDHZSA-N 0 1 284.403 2.536 20 30 CFEDMN CN(C)c1ccc(/C=C\CNCC(C)(C)C#N)cc1 ZINC000835048239 629346671 /nfs/dbraw/zinc/34/66/71/629346671.db2.gz OIHWLUOWXRILBJ-WAYWQWQTSA-N 0 1 257.381 2.905 20 30 CFEDMN C#C[C@@H](CCC)NC(=O)[C@@H](c1ccccc1)N(CC)CC ZINC000791741945 629350731 /nfs/dbraw/zinc/35/07/31/629350731.db2.gz OYQAQAWIYGAGEV-DLBZAZTESA-N 0 1 286.419 2.988 20 30 CFEDMN CCCCCCNC(=O)C(C#N)C(=O)C[C@@H]1CC[C@@H]2C[C@@H]21 ZINC000835056379 629360007 /nfs/dbraw/zinc/36/00/07/629360007.db2.gz FGZAXXJFHFVKPQ-CBBWQLFWSA-N 0 1 290.407 2.828 20 30 CFEDMN CC(C)CCCC(=O)C(C#N)C(=O)Nc1ccccn1 ZINC000835076465 629374055 /nfs/dbraw/zinc/37/40/55/629374055.db2.gz JLHQZJDLBKWGQJ-LBPRGKRZSA-N 0 1 273.336 2.555 20 30 CFEDMN N#CC(C(=O)CCn1cccn1)c1nccc2ccccc21 ZINC000792096805 629396964 /nfs/dbraw/zinc/39/69/64/629396964.db2.gz RTRRTDMLLIXGKJ-HNNXBMFYSA-N 0 1 290.326 2.698 20 30 CFEDMN C#CCN(C)C[C@H](O)COc1ccc(C(C)(C)C)cc1C ZINC000792301215 629419203 /nfs/dbraw/zinc/41/92/03/629419203.db2.gz CZISDOSNZOSHKV-INIZCTEOSA-N 0 1 289.419 2.597 20 30 CFEDMN C#CCN1CCCN(c2cccc(Cl)c2C)CC1 ZINC000792885317 629461782 /nfs/dbraw/zinc/46/17/82/629461782.db2.gz BYVIJQXGQSIFEJ-UHFFFAOYSA-N 0 1 262.784 2.794 20 30 CFEDMN Cc1cccc2nc([C@H](C#N)C(=O)CSC3CC3)[nH]c21 ZINC000835174891 629489067 /nfs/dbraw/zinc/48/90/67/629489067.db2.gz WSYSTEXFEBURDL-LLVKDONJSA-N 0 1 285.372 2.943 20 30 CFEDMN COCCN(C)c1ccc(C=NN[C@H](C)C(C)(C)C)cn1 ZINC000793114818 629489257 /nfs/dbraw/zinc/48/92/57/629489257.db2.gz NUHPQJMSIAHZFO-CYBMUJFWSA-N 0 1 292.427 2.522 20 30 CFEDMN COc1ccc(C=NNc2cccc(Cl)n2)cc1O ZINC000793160787 629494884 /nfs/dbraw/zinc/49/48/84/629494884.db2.gz DPSJDOUFZBZUDP-UHFFFAOYSA-N 0 1 277.711 2.895 20 30 CFEDMN CCc1cc(CNC(=O)C[C@@H](CC#N)c2ccccc2)n[nH]1 ZINC000793499216 629556898 /nfs/dbraw/zinc/55/68/98/629556898.db2.gz PCHYZWUURYWAIZ-CQSZACIVSA-N 0 1 296.374 2.676 20 30 CFEDMN CC[C@H]1[C@@H](C)CCN1Cn1cc2c(c(C#N)c1=O)CCCC2 ZINC000793515701 629559562 /nfs/dbraw/zinc/55/95/62/629559562.db2.gz KPNUHGZPSIMDJK-GUYCJALGSA-N 0 1 299.418 2.677 20 30 CFEDMN Cc1cc([C@H](C)N[C@@H]2CCc3cc(C#N)ccc32)n(C)n1 ZINC000793564661 629572724 /nfs/dbraw/zinc/57/27/24/629572724.db2.gz IOLOYLYVNOUAGP-BLLLJJGKSA-N 0 1 280.375 2.938 20 30 CFEDMN Cc1ccc2nc(N=Cc3ccc(O)c(O)c3O)[nH]c2c1 ZINC000793666535 629584179 /nfs/dbraw/zinc/58/41/79/629584179.db2.gz GGHHLMWWQZKIIT-UHFFFAOYSA-N 0 1 283.287 2.739 20 30 CFEDMN CN(C)c1nccc(N=NCc2ccc(C(F)F)cc2)n1 ZINC000794514697 629652173 /nfs/dbraw/zinc/65/21/73/629652173.db2.gz MWBXBHSIPKLSCJ-UHFFFAOYSA-N 0 1 291.305 2.926 20 30 CFEDMN FC(F)c1ccc(C=NNC2=N[C@@H]3CCCC[C@@H]3N2)cc1 ZINC000794524796 629654625 /nfs/dbraw/zinc/65/46/25/629654625.db2.gz VMRRPWIPJPGHFK-BETUJISGSA-N 0 1 292.333 2.818 20 30 CFEDMN Oc1c(Cl)cccc1C=NNCCC(F)(F)F ZINC000794553760 629660743 /nfs/dbraw/zinc/66/07/43/629660743.db2.gz YOPFPQUKZJMEND-UHFFFAOYSA-N 0 1 266.650 2.922 20 30 CFEDMN CSCCON=C1CCN(Cc2ccccn2)C[C@@H]1C ZINC000794574754 629663022 /nfs/dbraw/zinc/66/30/22/629663022.db2.gz OESNUUORHDKELT-ZDUSSCGKSA-N 0 1 293.436 2.659 20 30 CFEDMN CC(C)[C@@H](NCC1(C#N)CC1)[C@H](O)c1ccccc1 ZINC000794604691 629667384 /nfs/dbraw/zinc/66/73/84/629667384.db2.gz MUUJKAONAHXJOM-HUUCEWRRSA-N 0 1 258.365 2.638 20 30 CFEDMN CC(C)[C@H](NC[C@@H](C#N)CCC#N)[C@H](O)c1ccccc1 ZINC000794611863 629668148 /nfs/dbraw/zinc/66/81/48/629668148.db2.gz MDTFLTOCSDOZBW-HYVNUMGLSA-N 0 1 285.391 2.778 20 30 CFEDMN Cc1nn(-c2ccccc2)c(N)c1C=NOCC(C)C ZINC000794921633 629704201 /nfs/dbraw/zinc/70/42/01/629704201.db2.gz BRZRCIYUDDUXTB-UHFFFAOYSA-N 0 1 272.352 2.769 20 30 CFEDMN CC(=NNC1=NC[C@@H](C)N1)c1cccc(CC(C)C)c1 ZINC000794927448 629705914 /nfs/dbraw/zinc/70/59/14/629705914.db2.gz NENJJVWALYDEBN-GFCCVEGCSA-N 0 1 272.396 2.546 20 30 CFEDMN CCc1cccc2c1OCCC2=NNc1nccn1C ZINC000794935856 629706857 /nfs/dbraw/zinc/70/68/57/629706857.db2.gz LOXRGGBDRCZHJA-UHFFFAOYSA-N 0 1 270.336 2.581 20 30 CFEDMN COc1ccc(Cl)cc1CN=Nc1cncnc1 ZINC000794976579 629714187 /nfs/dbraw/zinc/71/41/87/629714187.db2.gz MPGKIWLLZICUSX-UHFFFAOYSA-N 0 1 262.700 2.585 20 30 CFEDMN FC(F)Oc1ccc(C=NNc2cncnc2)cc1 ZINC000794976642 629714204 /nfs/dbraw/zinc/71/42/04/629714204.db2.gz OMOYKKIGTFFDCY-UHFFFAOYSA-N 0 1 264.235 2.524 20 30 CFEDMN c1ccc2c(c1)CSCC2=NNc1cncnc1 ZINC000794977026 629714466 /nfs/dbraw/zinc/71/44/66/629714466.db2.gz WGNCCFSQYWCQJK-UHFFFAOYSA-N 0 1 256.334 2.540 20 30 CFEDMN CCCOc1cccc(C=NNc2cncnc2)c1 ZINC000794978586 629714953 /nfs/dbraw/zinc/71/49/53/629714953.db2.gz JZZZOKDKNSEIOD-UHFFFAOYSA-N 0 1 256.309 2.711 20 30 CFEDMN CC(=NNc1cncnc1)c1c(C)nn(C(C)C)c1C ZINC000794979424 629716016 /nfs/dbraw/zinc/71/60/16/629716016.db2.gz HCLQBMBXCUCMBQ-UHFFFAOYSA-N 0 1 272.356 2.707 20 30 CFEDMN Fc1cccc(NN=Cc2ccc(-c3cc[nH]n3)o2)n1 ZINC000795006436 629722493 /nfs/dbraw/zinc/72/24/93/629722493.db2.gz ICSRPXGEXJFQFX-UHFFFAOYSA-N 0 1 271.255 2.650 20 30 CFEDMN COc1cccc(CN=Nc2cccc(F)n2)c1F ZINC000795008382 629723294 /nfs/dbraw/zinc/72/32/94/629723294.db2.gz GOXNEQOJOGWYMA-UHFFFAOYSA-N 0 1 263.247 2.814 20 30 CFEDMN Fc1cccc(NN=Cc2ccc3c[nH]nc3c2)n1 ZINC000795008906 629723371 /nfs/dbraw/zinc/72/33/71/629723371.db2.gz SNCAMBSYJXCZJS-UHFFFAOYSA-N 0 1 255.256 2.543 20 30 CFEDMN CCc1ncc(CN=Nc2cccc(F)n2)s1 ZINC000795008893 629723713 /nfs/dbraw/zinc/72/37/13/629723713.db2.gz RSOHCVUPQHCUNM-UHFFFAOYSA-N 0 1 250.302 2.686 20 30 CFEDMN C#C[C@H](NC/C=C\c1ccc(F)c(F)c1)[C@@H]1CCCO1 ZINC000796354238 629907687 /nfs/dbraw/zinc/90/76/87/629907687.db2.gz XOTVOOIYCOSOTM-WLYXZUNZSA-N 0 1 277.314 2.748 20 30 CFEDMN C=CCN(CC(=O)Nc1ccc(Cl)nc1)C(C)(C)C ZINC000852554801 634777669 /nfs/dbraw/zinc/77/76/69/634777669.db2.gz WROUTTSZTHQYNZ-UHFFFAOYSA-N 0 1 281.787 2.960 20 30 CFEDMN CC1(C)CC(CC(=O)C(C#N)C(=O)NCc2ccccc2)C1 ZINC000796745143 629958564 /nfs/dbraw/zinc/95/85/64/629958564.db2.gz GGACZOHPULIRND-OAHLLOKOSA-N 0 1 298.386 2.838 20 30 CFEDMN CC[C@@H](C)CCC(=O)C(C#N)C(=O)NC1CCCCC1 ZINC000796790778 629968507 /nfs/dbraw/zinc/96/85/07/629968507.db2.gz VIHHLRCXYQEKDT-TZMCWYRMSA-N 0 1 278.396 2.970 20 30 CFEDMN CC(C)NC(=O)[C@H](C#N)C(=O)[C@@H]1CCC[C@H]2CCCC[C@@H]21 ZINC000796791725 629968606 /nfs/dbraw/zinc/96/86/06/629968606.db2.gz GMXTUDZIIMYBKH-LXTVHRRPSA-N 0 1 290.407 2.826 20 30 CFEDMN C#CCOc1ccccc1CN[C@@H]1CCCc2n[nH]cc21 ZINC000796816050 629971387 /nfs/dbraw/zinc/97/13/87/629971387.db2.gz IRUMJYVOJOOTAB-OAHLLOKOSA-N 0 1 281.359 2.589 20 30 CFEDMN CC(C)c1c(Cl)ncnc1N=NC1C[C@H](C)N(C)C1 ZINC000797404400 630061320 /nfs/dbraw/zinc/06/13/20/630061320.db2.gz NLTCRYIYQDBNJO-VIFPVBQESA-N 0 1 281.791 2.745 20 30 CFEDMN CCc1occc1C(=O)Nc1cc(C#N)ccc1O ZINC000797748118 630098524 /nfs/dbraw/zinc/09/85/24/630098524.db2.gz HBJSNFWAPIRNAH-UHFFFAOYSA-N 0 1 256.261 2.672 20 30 CFEDMN C#C[C@@H](NC(=O)[C@H]1CCCCN1Cc1ccccc1)C(C)C ZINC000799046305 630270114 /nfs/dbraw/zinc/27/01/14/630270114.db2.gz HMHYUWMZQAFSIG-QZTJIDSGSA-N 0 1 298.430 2.815 20 30 CFEDMN C#C[C@@H](NC(=O)c1cccc(Br)c1O)C(C)C ZINC000799047274 630270741 /nfs/dbraw/zinc/27/07/41/630270741.db2.gz ZVTOWDITSIUMPF-LLVKDONJSA-N 0 1 296.164 2.542 20 30 CFEDMN C=C1C[C@H]2CC[C@@H](C1)N2[C@@H](C)C(=O)OCCCC ZINC000852685757 634806145 /nfs/dbraw/zinc/80/61/45/634806145.db2.gz JRLHTZJLMNEMRI-MELADBBJSA-N 0 1 251.370 2.901 20 30 CFEDMN C[C@H](C#N)OCCN[C@@H](c1ccccc1)c1ccccn1 ZINC000801929445 630490066 /nfs/dbraw/zinc/49/00/66/630490066.db2.gz NYCCBSCJYOKKEX-PBHICJAKSA-N 0 1 281.359 2.689 20 30 CFEDMN Cc1ccc(CN=Nc2cnn(C)c2)c(-c2cnn(C)c2)c1 ZINC000802712772 630539445 /nfs/dbraw/zinc/53/94/45/630539445.db2.gz VAKLFXZUACCAKK-UHFFFAOYSA-N 0 1 294.362 2.575 20 30 CFEDMN C=CCN1CCN(CN2CCC[C@@]3(CC=CCC3)C2)C1=O ZINC000839998111 630602645 /nfs/dbraw/zinc/60/26/45/630602645.db2.gz PNVSEDNIBGACND-KRWDZBQOSA-N 0 1 289.423 2.690 20 30 CFEDMN CC(C)[C@H](C(=O)OCC#Cc1ccccc1Cl)N(C)C ZINC000803493342 630623110 /nfs/dbraw/zinc/62/31/10/630623110.db2.gz LKLARFCNYJIRBY-OAHLLOKOSA-N 0 1 293.794 2.821 20 30 CFEDMN CC(C)[C@H](C(=O)OCCCCC(C)(C)C#N)N(C)C ZINC000803493283 630623201 /nfs/dbraw/zinc/62/32/01/630623201.db2.gz KOJYPADGQGNWBN-CYBMUJFWSA-N 0 1 268.401 2.836 20 30 CFEDMN C=CCCCCCN(C)CN1C[C@H](C)[C@H](C)C1=O ZINC000840005848 630628916 /nfs/dbraw/zinc/62/89/16/630628916.db2.gz FIDKSECXQLVRIK-KBPBESRZSA-N 0 1 252.402 2.737 20 30 CFEDMN C[C@H](C[C@H](O)c1cccs1)NC[C@@H](C#N)CCC#N ZINC000843107460 630665781 /nfs/dbraw/zinc/66/57/81/630665781.db2.gz OHIIAGOIWWACDW-UPJWGTAASA-N 0 1 277.393 2.593 20 30 CFEDMN C=CCC1(CNC(=O)NCc2cc(CC)[nH]n2)CCCC1 ZINC000836315434 630790764 /nfs/dbraw/zinc/79/07/64/630790764.db2.gz DNKKTAQTRKQSNE-UHFFFAOYSA-N 0 1 290.411 2.908 20 30 CFEDMN CN(Cc1c(O)ccc2ccncc21)CC(C)(C)C#N ZINC000840072602 630835479 /nfs/dbraw/zinc/83/54/79/630835479.db2.gz HPOMNRCKWPFPBP-UHFFFAOYSA-N 0 1 269.348 2.922 20 30 CFEDMN CC(=NNc1cc(C)ccn1)c1cnnn1-c1ccccc1 ZINC000807977715 630928867 /nfs/dbraw/zinc/92/88/67/630928867.db2.gz XWTZGUGHPFIIEJ-UHFFFAOYSA-N 0 1 292.346 2.807 20 30 CFEDMN COc1ccc(NN=Cc2c[nH]c(C(F)(F)F)c2)nc1 ZINC000807983785 630930596 /nfs/dbraw/zinc/93/05/96/630930596.db2.gz XJKVYTYTADCBFR-UHFFFAOYSA-N 0 1 284.241 2.883 20 30 CFEDMN Cc1ncsc1C=NNc1nccnc1C1CCC1 ZINC000807990628 630932421 /nfs/dbraw/zinc/93/24/21/630932421.db2.gz BRODGNVKHPZLSC-UHFFFAOYSA-N 0 1 273.365 2.955 20 30 CFEDMN Oc1c(F)cc(C=NNCC2CCCC2)cc1F ZINC000808005985 630940150 /nfs/dbraw/zinc/94/01/50/630940150.db2.gz MGGYZKBDDMVUEZ-UHFFFAOYSA-N 0 1 254.280 2.784 20 30 CFEDMN CC(C)C(=O)CCN1CCC(C#N)(c2ccccn2)CC1 ZINC000808756796 631045054 /nfs/dbraw/zinc/04/50/54/631045054.db2.gz XIXAHJPMSYFCTP-UHFFFAOYSA-N 0 1 285.391 2.554 20 30 CFEDMN CC1(CC(=O)[C@H](C#N)C(=O)Nc2ccccn2)CCCC1 ZINC000808978196 631061396 /nfs/dbraw/zinc/06/13/96/631061396.db2.gz FYYINIUERCGLKI-LBPRGKRZSA-N 0 1 285.347 2.699 20 30 CFEDMN C#CCCCCC(=O)OCc1cc(O)ccc1[N+](=O)[O-] ZINC000837613928 631086235 /nfs/dbraw/zinc/08/62/35/631086235.db2.gz ZELWMAPLHZTQBW-UHFFFAOYSA-N 0 1 277.276 2.537 20 30 CFEDMN CC(C)[C@H](C(=O)OCCC1(C#N)CCCCC1)N(C)C ZINC000840520947 631162140 /nfs/dbraw/zinc/16/21/40/631162140.db2.gz RVHSJEFTMKXGDH-CQSZACIVSA-N 0 1 280.412 2.980 20 30 CFEDMN N#CC[C@@H](O)CN(Cc1ccc(C(F)(F)F)cc1)C1CC1 ZINC000809571558 631237119 /nfs/dbraw/zinc/23/71/19/631237119.db2.gz WNVRSWORGIWFJB-CQSZACIVSA-N 0 1 298.308 2.944 20 30 CFEDMN C=CC1CCN(Cc2cnc(C3OCCO3)s2)CC1 ZINC000809575232 631239098 /nfs/dbraw/zinc/23/90/98/631239098.db2.gz WKXHWGGKOZQKJZ-UHFFFAOYSA-N 0 1 280.393 2.587 20 30 CFEDMN C#Cc1ccc(CN2C[C@@H](CC)N(C(C)=O)C[C@H]2CC)cc1 ZINC000809582745 631242072 /nfs/dbraw/zinc/24/20/72/631242072.db2.gz CHGTYBLTQWHPRI-RTBURBONSA-N 0 1 298.430 2.889 20 30 CFEDMN C#Cc1ccc(CN2CCC([C@@H](O)C(F)(F)F)CC2)cc1 ZINC000809585965 631242167 /nfs/dbraw/zinc/24/21/67/631242167.db2.gz FFQKQFJBNUONFO-OAHLLOKOSA-N 0 1 297.320 2.803 20 30 CFEDMN C#Cc1ccc(CNCc2ccccc2[N+](=O)[O-])cc1 ZINC000809606700 631245017 /nfs/dbraw/zinc/24/50/17/631245017.db2.gz APWJWLXKCCZDII-UHFFFAOYSA-N 0 1 266.300 2.866 20 30 CFEDMN C#Cc1ccc(CNCc2cccnc2OCC)cc1 ZINC000809632883 631251610 /nfs/dbraw/zinc/25/16/10/631251610.db2.gz ZFOCOUAQLNXIKH-UHFFFAOYSA-N 0 1 266.344 2.751 20 30 CFEDMN C#CCOc1ccc(CNc2nccn2CC)cc1 ZINC000840886625 631252096 /nfs/dbraw/zinc/25/20/96/631252096.db2.gz JKTXMRFGIXARPC-UHFFFAOYSA-N 0 1 255.321 2.527 20 30 CFEDMN C#Cc1ccc(CN2CCC[C@@H](OC(F)F)C2)cc1 ZINC000809637659 631253015 /nfs/dbraw/zinc/25/30/15/631253015.db2.gz YNRQSCWWYBYBIW-CQSZACIVSA-N 0 1 265.303 2.872 20 30 CFEDMN C#Cc1ccc(CNCc2nn(C)c3ccccc23)cc1 ZINC000809640079 631254010 /nfs/dbraw/zinc/25/40/10/631254010.db2.gz TWSUSLPFIKHNCH-UHFFFAOYSA-N 0 1 275.355 2.844 20 30 CFEDMN C[C@H](O)c1ncc(CN[C@@H]2CCc3cc(C#N)ccc32)s1 ZINC000809656249 631256522 /nfs/dbraw/zinc/25/65/22/631256522.db2.gz SSUJIPAPOZDCAM-ZUZCIYMTSA-N 0 1 299.399 2.845 20 30 CFEDMN C[C@H](O)c1ncc(CN[C@H]2CCc3cc(C#N)ccc32)s1 ZINC000809656245 631257005 /nfs/dbraw/zinc/25/70/05/631257005.db2.gz SSUJIPAPOZDCAM-BONVTDFDSA-N 0 1 299.399 2.845 20 30 CFEDMN C#C[C@@H](C)NCc1ccc(-c2ccccc2C(=O)OC)o1 ZINC000809683028 631260253 /nfs/dbraw/zinc/26/02/53/631260253.db2.gz MNNKKFBMCAEPDA-GFCCVEGCSA-N 0 1 283.327 2.845 20 30 CFEDMN C#C[C@@H](C)NCc1ccccc1OCc1ccncc1 ZINC000809683289 631260519 /nfs/dbraw/zinc/26/05/19/631260519.db2.gz XVNUWPRARVFLCR-CQSZACIVSA-N 0 1 266.344 2.772 20 30 CFEDMN C#C[C@@H](C)NCc1cccc(OCC)c1OC(F)F ZINC000809682866 631260813 /nfs/dbraw/zinc/26/08/13/631260813.db2.gz GNWXNLUWCZKYJI-SNVBAGLBSA-N 0 1 269.291 2.798 20 30 CFEDMN C#C[C@H](C)NCc1c(C)nn(Cc2ccc(OC)cc2)c1C ZINC000809683460 631261777 /nfs/dbraw/zinc/26/17/77/631261777.db2.gz BVQBLURDCUMOIP-ZDUSSCGKSA-N 0 1 297.402 2.668 20 30 CFEDMN C#C[C@@H](C)NCc1cn(-c2ccc(Cl)cc2)nc1C ZINC000809683580 631261940 /nfs/dbraw/zinc/26/19/40/631261940.db2.gz GVWOOQJMKVTYPA-LLVKDONJSA-N 0 1 273.767 2.945 20 30 CFEDMN C#C[C@H](NCc1cc(OC)cc2c1O[C@@H](C)C2)C(C)C ZINC000809685637 631262507 /nfs/dbraw/zinc/26/25/07/631262507.db2.gz GTMTZJPAQPYGQO-LRDDRELGSA-N 0 1 273.376 2.766 20 30 CFEDMN C#C[C@H](NCc1nc2ccc(Cl)cc2n1C)C(C)C ZINC000809685847 631262616 /nfs/dbraw/zinc/26/26/16/631262616.db2.gz VAAKHOHWDZHSPS-LBPRGKRZSA-N 0 1 275.783 2.974 20 30 CFEDMN C#C[C@H](NCc1cc([N+](=O)[O-])ccc1OC(F)F)C(C)C ZINC000809685386 631262961 /nfs/dbraw/zinc/26/29/61/631262961.db2.gz QGULNLBXYCEZGW-LBPRGKRZSA-N 0 1 298.289 2.944 20 30 CFEDMN C#C[C@@H](NCc1cc(C(=O)OC)c(CC)o1)C(C)(C)C ZINC000809782133 631287887 /nfs/dbraw/zinc/28/78/87/631287887.db2.gz ITPRVIHPMSNEGD-CQSZACIVSA-N 0 1 277.364 2.766 20 30 CFEDMN C#C[C@@H](NCc1ccc(SC)s1)[C@@H]1CCCO1 ZINC000810152848 631335120 /nfs/dbraw/zinc/33/51/20/631335120.db2.gz DPWJGOFTFHJMTF-NEPJUHHUSA-N 0 1 267.419 2.740 20 30 CFEDMN C#C[C@@H](NCc1ccc(SC)s1)[C@H]1CCCO1 ZINC000810152851 631335255 /nfs/dbraw/zinc/33/52/55/631335255.db2.gz DPWJGOFTFHJMTF-VXGBXAGGSA-N 0 1 267.419 2.740 20 30 CFEDMN C[C@H](C[C@@H](O)c1ccccc1)NCc1nc(C#N)cs1 ZINC000810152494 631335840 /nfs/dbraw/zinc/33/58/40/631335840.db2.gz SALIYZUCTFIPRA-BXUZGUMPSA-N 0 1 287.388 2.617 20 30 CFEDMN Cn1c2ccccc2nc1C(C#N)C(=O)C1(CCF)CC1 ZINC000810519948 631380488 /nfs/dbraw/zinc/38/04/88/631380488.db2.gz ONACYIWFCDSTCI-LLVKDONJSA-N 0 1 285.322 2.889 20 30 CFEDMN CC(C)(C)[C@@H](C#N)OC(=O)[C@@]1(F)CCN(C(C)(C)C)C1 ZINC000810666787 631422986 /nfs/dbraw/zinc/42/29/86/631422986.db2.gz UZAUDBXMEYKWTN-IAQYHMDHSA-N 0 1 284.375 2.680 20 30 CFEDMN Cc1cccc(F)c1NN=C1C[C@@H](C)n2ncnc21 ZINC000841634857 631438609 /nfs/dbraw/zinc/43/86/09/631438609.db2.gz VYYOIKRVHGXYMI-SECBINFHSA-N 0 1 259.288 2.507 20 30 CFEDMN C#CCC1(OC(=O)[C@@H](CC)N(CC)CC)CCC1 ZINC000810748558 631439058 /nfs/dbraw/zinc/43/90/58/631439058.db2.gz GNIFNDPPTDYBBO-CYBMUJFWSA-N 0 1 251.370 2.596 20 30 CFEDMN CCn1cncc1C=NNc1cc(C(F)(F)F)ccn1 ZINC000841639875 631441138 /nfs/dbraw/zinc/44/11/38/631441138.db2.gz HOJCOXPOYQDFEO-UHFFFAOYSA-N 0 1 283.257 2.763 20 30 CFEDMN Cc1cc(CN=Nc2cnnn2C)ccc1C(F)(F)F ZINC000841640729 631441157 /nfs/dbraw/zinc/44/11/57/631441157.db2.gz POMWOFFGEOEBJY-UHFFFAOYSA-N 0 1 283.257 2.588 20 30 CFEDMN CC(C)(C)CC(=NNC1=NCCN1)c1ccc(F)cc1 ZINC000841660581 631446257 /nfs/dbraw/zinc/44/62/57/631446257.db2.gz ZUOOLOFRIHJWBS-UHFFFAOYSA-N 0 1 276.359 2.515 20 30 CFEDMN CC(C)(C)N1CC[C@](F)(C(=O)OC2(CC#N)CCC2)C1 ZINC000810856761 631461668 /nfs/dbraw/zinc/46/16/68/631461668.db2.gz ZPQYZLAWEAKKQR-OAHLLOKOSA-N 0 1 282.359 2.578 20 30 CFEDMN Cc1cc(CNCc2ccc(C#N)c(Cl)c2)n(C)n1 ZINC000841885417 631487091 /nfs/dbraw/zinc/48/70/91/631487091.db2.gz WUOLFUCXHJGILI-UHFFFAOYSA-N 0 1 274.755 2.543 20 30 CFEDMN C[C@@H](CC(=O)N(C)c1ccccc1)NCC1(C#N)CCC1 ZINC000841899087 631491626 /nfs/dbraw/zinc/49/16/26/631491626.db2.gz SFCIRQXGOJXWCK-AWEZNQCLSA-N 0 1 285.391 2.711 20 30 CFEDMN C[C@]1(CNC[C@H](C#N)CCC#N)CC1(Cl)Cl ZINC000842154350 631554350 /nfs/dbraw/zinc/55/43/50/631554350.db2.gz SMPFIIQPFPQURW-VHSXEESVSA-N 0 1 260.168 2.603 20 30 CFEDMN C=CCNC(=O)C(C#N)C(=O)[C@@H](CC)CC1CCCC1 ZINC000842289483 631579839 /nfs/dbraw/zinc/57/98/39/631579839.db2.gz QKQQRLZXXAEKGS-KBPBESRZSA-N 0 1 276.380 2.604 20 30 CFEDMN C[C@@H]1C(=NOC[C@H]2CCOC2)CCN1Cc1ccccc1 ZINC000811648903 631592166 /nfs/dbraw/zinc/59/21/66/631592166.db2.gz UHKPBIPZIYNNNK-ZBFHGGJFSA-N 0 1 288.391 2.690 20 30 CFEDMN O=C([O-])c1ccc2c(c1)CCCCC2=NNc1cc[nH+]cc1 ZINC000811647689 631592618 /nfs/dbraw/zinc/59/26/18/631592618.db2.gz WZUREXMSSFDPFW-UHFFFAOYSA-N 0 1 295.342 2.744 20 30 CFEDMN C[C@@H](COc1ccccc1)NN=Cc1cnccc1N(C)C ZINC000811665792 631601277 /nfs/dbraw/zinc/60/12/77/631601277.db2.gz UOLREHBTUPDEJK-AWEZNQCLSA-N 0 1 298.390 2.539 20 30 CFEDMN C[C@H](COc1ccccc1)NN=Cc1cnccc1N(C)C ZINC000811665794 631601579 /nfs/dbraw/zinc/60/15/79/631601579.db2.gz UOLREHBTUPDEJK-CQSZACIVSA-N 0 1 298.390 2.539 20 30 CFEDMN Cc1ccc(O)c(C(=O)/C=C\c2nc(C#N)cs2)c1 ZINC000811694793 631606821 /nfs/dbraw/zinc/60/68/21/631606821.db2.gz ZZGZSEGCBDQNEZ-PLNGDYQASA-N 0 1 270.313 2.925 20 30 CFEDMN C=CCCN(C)CN1CC[C@@H](Cc2ccccc2)C1=O ZINC000811765874 631619340 /nfs/dbraw/zinc/61/93/40/631619340.db2.gz KMQZXNYKCTVQPX-INIZCTEOSA-N 0 1 272.392 2.543 20 30 CFEDMN C#CC[C@H]1CCCN(CN2C(=O)C[C@H]2c2ccccc2)C1 ZINC000842628766 631685669 /nfs/dbraw/zinc/68/56/69/631685669.db2.gz FRFVLYHMANTQCZ-RDJZCZTQSA-N 0 1 282.387 2.653 20 30 CFEDMN C#CC[C@H]1CCCN(CN2C[C@H](C3CCCC3)CC2=O)C1 ZINC000842629135 631686032 /nfs/dbraw/zinc/68/60/32/631686032.db2.gz JVTSHUUQDPZBDI-DOTOQJQBSA-N 0 1 288.435 2.718 20 30 CFEDMN CCC[C@H](C)CC(=O)C(C#N)C(=O)NCc1ccccc1 ZINC000155463886 650022015 /nfs/dbraw/zinc/02/20/15/650022015.db2.gz SPNOBPPZUSRONJ-ZFWWWQNUSA-N 0 1 286.375 2.838 20 30 CFEDMN CCCCCNC(=O)C(C#N)C(=O)C1CC2(CCC2)C1 ZINC000842683570 631706108 /nfs/dbraw/zinc/70/61/08/631706108.db2.gz NNYVEDRNGVSPML-ZDUSSCGKSA-N 0 1 276.380 2.582 20 30 CFEDMN CCC[C@@H](C)CC(=O)C(C#N)C(=O)Nc1ccccn1 ZINC000155497863 650022848 /nfs/dbraw/zinc/02/28/48/650022848.db2.gz CFOSANPCWJGXBC-NEPJUHHUSA-N 0 1 273.336 2.555 20 30 CFEDMN C#Cc1cccc(CNCc2ccnn2CC(C)C)c1 ZINC000842712994 631715162 /nfs/dbraw/zinc/71/51/62/631715162.db2.gz WCUNHOFCQSFQHS-UHFFFAOYSA-N 0 1 267.376 2.810 20 30 CFEDMN CC(=[NH+][N-]c1ncnc2sccc21)c1csc(N)n1 ZINC000812443891 631718972 /nfs/dbraw/zinc/71/89/72/631718972.db2.gz ROLMABVVAORRHO-UHFFFAOYSA-N 0 1 290.377 2.566 20 30 CFEDMN CCc1cc(CNc2nc(C)c(C#N)cc2Cl)n[nH]1 ZINC000812458382 631721503 /nfs/dbraw/zinc/72/15/03/631721503.db2.gz AZVCPVRGNCJTMZ-UHFFFAOYSA-N 0 1 275.743 2.813 20 30 CFEDMN COC1(C(=O)C(C#N)c2ncc(C(C)(C)C)s2)CC1 ZINC000842783814 631740487 /nfs/dbraw/zinc/74/04/87/631740487.db2.gz CXJCAQYJWNLZTG-VIFPVBQESA-N 0 1 278.377 2.796 20 30 CFEDMN CCCCCCCC(=O)N1[C@H](C)CN(C)C[C@@H]1C ZINC000155566052 650026085 /nfs/dbraw/zinc/02/60/85/650026085.db2.gz ALZBNASKACFGMR-OKILXGFUSA-N 0 1 254.418 2.898 20 30 CFEDMN C#C[C@H](NC(=O)c1ccc(F)cc1O)c1ccc(F)cc1 ZINC000812750324 631767716 /nfs/dbraw/zinc/76/77/16/631767716.db2.gz SATKTMHODFUWQV-AWEZNQCLSA-N 0 1 287.265 2.775 20 30 CFEDMN N#CCC1CCN(C(=O)c2c(Cl)[nH]nc2C2CC2)CC1 ZINC000867312616 631792330 /nfs/dbraw/zinc/79/23/30/631792330.db2.gz HUACICIYKWYSQQ-UHFFFAOYSA-N 0 1 292.770 2.706 20 30 CFEDMN CCC[C@@H]1C[C@H]1C(=O)C(C#N)C(=O)NC1CCCCC1 ZINC000813059706 631822805 /nfs/dbraw/zinc/82/28/05/631822805.db2.gz GKXQEALTGZUZBR-BNOWGMLFSA-N 0 1 276.380 2.580 20 30 CFEDMN CO[C@](C)(C(=O)C(C#N)c1cnc2ccccc2n1)C1CC1 ZINC000813090951 631832504 /nfs/dbraw/zinc/83/25/04/631832504.db2.gz TWITYSVECZNGKG-SJCJKPOMSA-N 0 1 295.342 2.621 20 30 CFEDMN N#CCCNCC[C@@H](O)c1ccc(Cl)c(Cl)c1 ZINC000843092577 631832775 /nfs/dbraw/zinc/83/27/75/631832775.db2.gz BTAIHFAGQPVVON-GFCCVEGCSA-N 0 1 273.163 2.920 20 30 CFEDMN COc1ccc(O)c([C@@H](C)NCc2ccc(C#N)o2)c1 ZINC000813331425 631904298 /nfs/dbraw/zinc/90/42/98/631904298.db2.gz OOELWLLEZSFFKC-SNVBAGLBSA-N 0 1 272.304 2.716 20 30 CFEDMN CC(C)Cn1nccc1/C=C\C(=O)c1ccc(O)cc1O ZINC000843270051 631914320 /nfs/dbraw/zinc/91/43/20/631914320.db2.gz SXWNFCPNTUQHQL-UTCJRWHESA-N 0 1 286.331 2.846 20 30 CFEDMN C#CC[C@H]1CCCN(Cc2c(C)nc3sc(C)nn23)C1 ZINC000843423330 631952309 /nfs/dbraw/zinc/95/23/09/631952309.db2.gz CHIMNGOUYLJQCA-ZDUSSCGKSA-N 0 1 288.420 2.643 20 30 CFEDMN C#CC1CCN(Cc2nc3ccccc3n2CC)CC1 ZINC000843429110 631956153 /nfs/dbraw/zinc/95/61/53/631956153.db2.gz VCJHOSBITMJKKA-UHFFFAOYSA-N 0 1 267.376 2.901 20 30 CFEDMN CC1(C)Oc2ccsc2[C@H](N[C@H]2CC[C@@H](C#N)C2)[C@H]1O ZINC000813875363 631970903 /nfs/dbraw/zinc/97/09/03/631970903.db2.gz KIBFBTMBMOLKGL-IUCKATPISA-N 0 1 292.404 2.603 20 30 CFEDMN C#CC[C@@H]1CCCN(C(=O)c2c(C)n[nH]c2C(C)C)C1 ZINC000843998937 632091551 /nfs/dbraw/zinc/09/15/51/632091551.db2.gz JQTQIWGMTUHHBH-CYBMUJFWSA-N 0 1 273.380 2.717 20 30 CFEDMN CCCCCCCN1CCC[C@@H](CS(C)(=O)=O)C1 ZINC000814641315 632101241 /nfs/dbraw/zinc/10/12/41/632101241.db2.gz AWDKDVJBNFGRRC-CQSZACIVSA-N 0 1 275.458 2.713 20 30 CFEDMN Cc1sc2ncnc(N=NCc3cncnc3)c2c1C ZINC000814725999 632114178 /nfs/dbraw/zinc/11/41/78/632114178.db2.gz IBIANZWVPFBJDD-UHFFFAOYSA-N 0 1 284.348 2.544 20 30 CFEDMN FC(F)(F)[C@H]1CC(N=Nc2ccccn2)CCO1 ZINC000814731947 632115302 /nfs/dbraw/zinc/11/53/02/632115302.db2.gz QIVALNUUURQKHH-SECBINFHSA-N 0 1 259.231 2.591 20 30 CFEDMN CCc1nocc1C=NNc1nc2cc(F)c(F)cc2[nH]1 ZINC000814795783 632125429 /nfs/dbraw/zinc/12/54/29/632125429.db2.gz GFXJKGPMIWNWFV-UHFFFAOYSA-N 0 1 291.261 2.838 20 30 CFEDMN CCc1nocc1C=N[N-]c1[nH]c2cc(F)c(F)cc2[nH+]1 ZINC000814795783 632125431 /nfs/dbraw/zinc/12/54/31/632125431.db2.gz GFXJKGPMIWNWFV-UHFFFAOYSA-N 0 1 291.261 2.838 20 30 CFEDMN CCC(N=Nc1ccc(S(C)(=O)=O)cc1)c1ccco1 ZINC000814802518 632127387 /nfs/dbraw/zinc/12/73/87/632127387.db2.gz LGURYAQJDHINJI-UHFFFAOYSA-N 0 1 292.360 2.909 20 30 CFEDMN COc1cc([N+](=O)[O-])ccc1N=NC1COc2ccccc21 ZINC000814823727 632132729 /nfs/dbraw/zinc/13/27/29/632132729.db2.gz SYWJUOUDZXOBIU-UHFFFAOYSA-N 0 1 299.286 2.812 20 30 CFEDMN C=C(Br)CNCc1c[nH]nc1-c1ccc(C)o1 ZINC000105453660 632135397 /nfs/dbraw/zinc/13/53/97/632135397.db2.gz CPZGIXACMCUIDV-UHFFFAOYSA-N 0 1 296.168 2.976 20 30 CFEDMN CC(=NNCc1cnc2ccccc2c1)c1ccc(N)nc1 ZINC000814876634 632145832 /nfs/dbraw/zinc/14/58/32/632145832.db2.gz GMDJLANEIUVNOE-UHFFFAOYSA-N 0 1 291.358 2.726 20 30 CFEDMN C[C@@H](CC#N)NN=C1CC[C@H]2CNc3cccc1c32 ZINC000814883094 632147584 /nfs/dbraw/zinc/14/75/84/632147584.db2.gz ADGVBSPZCIZKOO-QWRGUYRKSA-N 0 1 254.337 2.585 20 30 CFEDMN COc1cccc(NN=Cc2ccc(Br)o2)n1 ZINC000814900410 632155266 /nfs/dbraw/zinc/15/52/66/632155266.db2.gz SDUSMLJRAITEGQ-UHFFFAOYSA-N 0 1 296.124 2.892 20 30 CFEDMN C#CCON=C1CCCN(Cc2ccccc2)[C@H]1C ZINC000814936328 632173266 /nfs/dbraw/zinc/17/32/66/632173266.db2.gz LAPFFRIOSZSRFQ-AWEZNQCLSA-N 0 1 256.349 2.677 20 30 CFEDMN CCc1nn(C)cc1CN=Nc1ccc(F)c(F)c1F ZINC000814946217 632177641 /nfs/dbraw/zinc/17/76/41/632177641.db2.gz HOCZEHTZUFXFAW-UHFFFAOYSA-N 0 1 282.269 2.846 20 30 CFEDMN CC(=NNc1cnnn1C)c1cccc(OC(F)(F)F)c1 ZINC000814981398 632183980 /nfs/dbraw/zinc/18/39/80/632183980.db2.gz GJDMTSKYCNKUPR-UHFFFAOYSA-N 0 1 299.256 2.550 20 30 CFEDMN C#CCN(C[C@H](O)c1cccc2ccccc21)C1CC1 ZINC000815092691 632200131 /nfs/dbraw/zinc/20/01/31/632200131.db2.gz OLHJDBYBTLNMBP-SFHVURJKSA-N 0 1 265.356 2.971 20 30 CFEDMN C#C[C@@H](NCc1ccc(C(C)C)nc1C)[C@@H]1CCCO1 ZINC000815093448 632200526 /nfs/dbraw/zinc/20/05/26/632200526.db2.gz KJYVXTJUNOJINL-WBVHZDCISA-N 0 1 272.392 2.784 20 30 CFEDMN C=C(C)CON=CC1(CN2CCOCC2)CCCCC1 ZINC000844619327 632264889 /nfs/dbraw/zinc/26/48/89/632264889.db2.gz XNZOMTVLOKYIRM-UHFFFAOYSA-N 0 1 280.412 2.848 20 30 CFEDMN Cc1c(N=NC2C[C@@H](C)[N@H+](C3CC3)C2)cccc1C(=O)[O-] ZINC000844622710 632266906 /nfs/dbraw/zinc/26/69/06/632266906.db2.gz BXEHWTBYFCAVTC-SNVBAGLBSA-N 0 1 287.363 2.718 20 30 CFEDMN C=C[C@@H](C)ON=Cc1ccccc1N1CCO[C@H](C)C1 ZINC000844625559 632268816 /nfs/dbraw/zinc/26/88/16/632268816.db2.gz RZPSFAFRPPYLGD-ZIAGYGMSSA-N 0 1 274.364 2.837 20 30 CFEDMN C=C(C)COC(=O)[C@H]1CCCCN1C1CCCC1 ZINC000815446499 632276360 /nfs/dbraw/zinc/27/63/60/632276360.db2.gz XLUSQHRVXCSSEF-CQSZACIVSA-N 0 1 251.370 2.903 20 30 CFEDMN CCc1ccc(C#CC(=O)N2C[C@@H](C)N(CC)C[C@@H]2C)cc1 ZINC000815892288 632329577 /nfs/dbraw/zinc/32/95/77/632329577.db2.gz LWQADOFBEARHLO-CVEARBPZSA-N 0 1 298.430 2.542 20 30 CFEDMN Cc1cc(C(C#N)C(=O)[C@@H]2C[C@@H]3C=C[C@H]2CC3)nc(C)n1 ZINC000845444445 632435761 /nfs/dbraw/zinc/43/57/61/632435761.db2.gz VCHDLQSWYVSYJP-BARDWOONSA-N 0 1 281.359 2.872 20 30 CFEDMN C#CCOc1cccc(Cl)c1CN1CCC[C@H](O)CC1 ZINC000816667227 632508468 /nfs/dbraw/zinc/50/84/68/632508468.db2.gz HDSZCCKYKNRZGN-ZDUSSCGKSA-N 0 1 293.794 2.699 20 30 CFEDMN C#CCOc1cccc(Cl)c1CN1CCC[C@@H](O)CC1 ZINC000816667226 632509115 /nfs/dbraw/zinc/50/91/15/632509115.db2.gz HDSZCCKYKNRZGN-CYBMUJFWSA-N 0 1 293.794 2.699 20 30 CFEDMN C#CCCCC(=O)C(C#N)=C(O)C1(c2ccccc2)CC1 ZINC000845844609 632578232 /nfs/dbraw/zinc/57/82/32/632578232.db2.gz IGFWYAVJDGKKQX-OAHLLOKOSA-N 0 1 279.339 2.800 20 30 CFEDMN CC[C@H](C)OCC(O)=C(C#N)C(=O)C1(c2ccccc2)CC1 ZINC000845841692 632578608 /nfs/dbraw/zinc/57/86/08/632578608.db2.gz PGVSRHLIGSPLCZ-DZGCQCFKSA-N 0 1 299.370 2.811 20 30 CFEDMN COC(C)(C)CC(=O)C(C#N)=C(O)C1(c2ccccc2)CC1 ZINC000845844917 632579316 /nfs/dbraw/zinc/57/93/16/632579316.db2.gz KQXSIMSIJTWJBK-AWEZNQCLSA-N 0 1 299.370 2.811 20 30 CFEDMN N#CC(C(=O)[C@@H]1CC12CC2)=C(O)C1(c2ccccc2)CC1 ZINC000845844861 632579661 /nfs/dbraw/zinc/57/96/61/632579661.db2.gz UUIWTNZWBMTQFJ-KBPBESRZSA-N 0 1 279.339 2.796 20 30 CFEDMN C=CC1CCN(CN2CCC(CC)(CC)C2=O)CC1 ZINC000817359886 632612167 /nfs/dbraw/zinc/61/21/67/632612167.db2.gz HARPAGXVTQRONI-UHFFFAOYSA-N 0 1 264.413 2.881 20 30 CFEDMN Cc1ncc2c(n1)CCC[C@@H]2NCc1ccc(C#N)c(F)c1 ZINC000817407432 632621782 /nfs/dbraw/zinc/62/17/82/632621782.db2.gz OELNQFJGGUTGLK-INIZCTEOSA-N 0 1 296.349 2.963 20 30 CFEDMN C#Cc1ccc(CN2C[C@@H](C)OCC23CCC3)cc1 ZINC000846066964 632627210 /nfs/dbraw/zinc/62/72/10/632627210.db2.gz KDZJRSDMTBGUBH-CQSZACIVSA-N 0 1 255.361 2.811 20 30 CFEDMN CCCCCCN(C)CC(=O)N1CCc2c1cccc2C#N ZINC000817641329 632681002 /nfs/dbraw/zinc/68/10/02/632681002.db2.gz XBIZFYLKQPPDPA-UHFFFAOYSA-N 0 1 299.418 2.959 20 30 CFEDMN Cn1c2ccccc2nc1[C@H](C#N)C(=O)[C@@]1(C)CC1(F)F ZINC000817714620 632690152 /nfs/dbraw/zinc/69/01/52/632690152.db2.gz VIIJMCFETNLPLO-YMTOWFKASA-N 0 1 289.285 2.795 20 30 CFEDMN CCOc1ccccc1NC(=O)C(C#N)C(=O)[C@H]1CC12CC2 ZINC000817714389 632690218 /nfs/dbraw/zinc/69/02/18/632690218.db2.gz SEGUPQOXOOEPEH-NWDGAFQWSA-N 0 1 298.342 2.533 20 30 CFEDMN C=C(C)CONC(=O)[C@@H](C)c1c(F)cccc1F ZINC000846535744 632725342 /nfs/dbraw/zinc/72/53/42/632725342.db2.gz LRVPZURXAWPIHU-VIFPVBQESA-N 0 1 255.264 2.692 20 30 CFEDMN C=C[C@@H](C)O[N-]C(=O)[C@H](c1cccc(Cl)c1)[NH+](C)C ZINC000846545952 632734547 /nfs/dbraw/zinc/73/45/47/632734547.db2.gz QWNMWJPAYGHWIF-MFKMUULPSA-N 0 1 282.771 2.565 20 30 CFEDMN C=C[C@H](C)ONC(=O)[C@@H]1CCc2c1cccc2Cl ZINC000846547096 632735005 /nfs/dbraw/zinc/73/50/05/632735005.db2.gz AYURZGUXLJKOLM-JOYOIKCWSA-N 0 1 265.740 2.992 20 30 CFEDMN C=C[C@@H](C)ONC(=O)[C@@H]1CCc2c1cccc2Cl ZINC000846547092 632735155 /nfs/dbraw/zinc/73/51/55/632735155.db2.gz AYURZGUXLJKOLM-BXKDBHETSA-N 0 1 265.740 2.992 20 30 CFEDMN C=C[C@H](C)NCc1cc(C(OC)OC)ccc1F ZINC000818194694 632810299 /nfs/dbraw/zinc/81/02/99/632810299.db2.gz NRNKNXCXFJOSFF-JTQLQIEISA-N 0 1 253.317 2.781 20 30 CFEDMN c1cc2n(c1)CCC2=NNc1nc2ccccc2[nH]1 ZINC000818218209 632814453 /nfs/dbraw/zinc/81/44/53/632814453.db2.gz ZTAINOMXMILLMM-UHFFFAOYSA-N 0 1 251.293 2.584 20 30 CFEDMN COC(OC)c1ccc(F)c(CN[C@@H]2CC[C@H](C#N)C2)c1 ZINC000818231809 632817729 /nfs/dbraw/zinc/81/77/29/632817729.db2.gz YRNLFUTWBHVHQA-SMDDNHRTSA-N 0 1 292.354 2.899 20 30 CFEDMN CC(=O)C1CCN([C@H](C)c2cccc(C#N)c2)CC1 ZINC000846943762 632854663 /nfs/dbraw/zinc/85/46/63/632854663.db2.gz MUTBDKRZMPRGES-GFCCVEGCSA-N 0 1 256.349 2.920 20 30 CFEDMN C#C[C@@H]1CCCN(CC(=O)N[C@H]2CCCc3ccccc32)C1 ZINC000847022377 632886468 /nfs/dbraw/zinc/88/64/68/632886468.db2.gz HBRNNESURVPTIL-QAPCUYQASA-N 0 1 296.414 2.525 20 30 CFEDMN C#C[C@@H]1CCCN([C@H](C)C(=O)N[C@@H](C)c2ccccc2C)C1 ZINC000847021894 632886774 /nfs/dbraw/zinc/88/67/74/632886774.db2.gz CTFJDORSYDJBOM-GVDBMIGSSA-N 0 1 298.430 2.906 20 30 CFEDMN C#C[C@@H]1CCCN(CC(=O)N(Cc2ccccc2)C2CC2)C1 ZINC000847025737 632891522 /nfs/dbraw/zinc/89/15/22/632891522.db2.gz WMQJNYXXCUGOQX-MRXNPFEDSA-N 0 1 296.414 2.523 20 30 CFEDMN C#C[C@H]1CCCN(CCOc2ccccc2C(C)=O)C1 ZINC000847026773 632891820 /nfs/dbraw/zinc/89/18/20/632891820.db2.gz GUYYZQYZFVSOHF-HNNXBMFYSA-N 0 1 271.360 2.613 20 30 CFEDMN C#C[C@@H]1CCCN(CC(=O)N(C)Cc2ccc(CC)cc2)C1 ZINC000847028676 632893729 /nfs/dbraw/zinc/89/37/29/632893729.db2.gz JYRRBQVSDFOUPW-QGZVFWFLSA-N 0 1 298.430 2.553 20 30 CFEDMN C#C[C@H]1CCCN([C@H](C)C(=O)Nc2cccc(C)c2C)C1 ZINC000847028613 632894787 /nfs/dbraw/zinc/89/47/87/632894787.db2.gz JNRHAGVLUOIDIW-CVEARBPZSA-N 0 1 284.403 2.976 20 30 CFEDMN C#C[C@H]1CCCN([C@@H](C)C(=O)N(C)C2CCCCC2)C1 ZINC000847029172 632894868 /nfs/dbraw/zinc/89/48/68/632894868.db2.gz LMEMOQUUBUVADF-GJZGRUSLSA-N 0 1 276.424 2.511 20 30 CFEDMN C#C[C@@H]1CCCN([C@@H](C)C(=O)Nc2cccc(C)c2)C1 ZINC000847031849 632896198 /nfs/dbraw/zinc/89/61/98/632896198.db2.gz VBUCDLRYGWSCOS-LSDHHAIUSA-N 0 1 270.376 2.667 20 30 CFEDMN C#C[C@H]1CCCN([C@H](C)C(=O)N(CC)c2ccccc2)C1 ZINC000847032980 632896993 /nfs/dbraw/zinc/89/69/93/632896993.db2.gz ZQCXXXAUBBNAIS-CVEARBPZSA-N 0 1 284.403 2.773 20 30 CFEDMN C#CCNC1(c2cccc(OC(F)(F)F)c2)CC1 ZINC000847070981 632910343 /nfs/dbraw/zinc/91/03/43/632910343.db2.gz SOGQDVPEDGCLES-UHFFFAOYSA-N 0 1 255.239 2.797 20 30 CFEDMN N#Cc1ccc([C@H](O)CNCc2nc(C3CC3)cs2)cc1 ZINC000819171388 632995587 /nfs/dbraw/zinc/99/55/87/632995587.db2.gz HWVQJUOFYSPRCS-OAHLLOKOSA-N 0 1 299.399 2.715 20 30 CFEDMN C#CCOc1ccccc1OC(=O)c1[nH]nc2c1CCCC2 ZINC000107416773 633213325 /nfs/dbraw/zinc/21/33/25/633213325.db2.gz JLFOANZYYHBZSE-UHFFFAOYSA-N 0 1 296.326 2.520 20 30 CFEDMN C#CC1CCN(C(=O)c2cccc(C(F)(F)F)c2O)CC1 ZINC000848238440 633222472 /nfs/dbraw/zinc/22/24/72/633222472.db2.gz SAWKDZUDGUOPOZ-UHFFFAOYSA-N 0 1 297.276 2.896 20 30 CFEDMN C=C[C@H](C)O[N-]C(=O)[C@H](c1ccc(Cl)cc1)[NH+](C)C ZINC000848244783 633222852 /nfs/dbraw/zinc/22/28/52/633222852.db2.gz DRQPOEUZMKPBEO-GWCFXTLKSA-N 0 1 282.771 2.565 20 30 CFEDMN Cc1cc2c(c(C)c1)C(=NNC1=N[C@@H]3CCCC[C@H]3N1)CC2 ZINC000848407478 633250505 /nfs/dbraw/zinc/25/05/05/633250505.db2.gz PZGPAFJVYFJJPJ-HUUCEWRRSA-N 0 1 296.418 2.814 20 30 CFEDMN c1cn(CCCNN=C2CC[C@H]3CNc4cccc2c43)cn1 ZINC000848416419 633253713 /nfs/dbraw/zinc/25/37/13/633253713.db2.gz KXEIHGSLYMQXFA-ZDUSSCGKSA-N 0 1 295.390 2.570 20 30 CFEDMN C#C[C@H]1CCCN(Cn2nc(C)c3cc([N+](=O)[O-])ccc32)C1 ZINC000848493537 633265784 /nfs/dbraw/zinc/26/57/84/633265784.db2.gz NYANDBWVCHKLCE-ZDUSSCGKSA-N 0 1 298.346 2.556 20 30 CFEDMN Cc1ncncc1[C@@H](C)NCc1ccc(C#N)cc1 ZINC000848520370 633273888 /nfs/dbraw/zinc/27/38/88/633273888.db2.gz YIMGYWOQVCLHGK-LLVKDONJSA-N 0 1 252.321 2.508 20 30 CFEDMN O=C(/C=C/c1cc2n(n1)CCCC2)c1ccc(O)c(F)c1 ZINC000848640040 633307130 /nfs/dbraw/zinc/30/71/30/633307130.db2.gz HBVOSGKJRVWISP-FNORWQNLSA-N 0 1 286.306 2.960 20 30 CFEDMN C#C[C@@H]1CCCN(C/C=C\c2ccccc2[N+](=O)[O-])C1 ZINC000848924460 633407275 /nfs/dbraw/zinc/40/72/75/633407275.db2.gz SUKLMQQYYWWTPJ-DEBLGDTFSA-N 0 1 270.332 2.953 20 30 CFEDMN C#C[C@@H]1CCCN(Cc2cnn(Cc3ccc(F)cc3)c2)C1 ZINC000848924427 633407843 /nfs/dbraw/zinc/40/78/43/633407843.db2.gz SESAOURRLVUBJL-OAHLLOKOSA-N 0 1 297.377 2.916 20 30 CFEDMN C#CC[C@H]1CCC[N@H+](Cc2ccccc2CC(=O)[O-])C1 ZINC000849344140 633622629 /nfs/dbraw/zinc/62/26/29/633622629.db2.gz CHDIWEGSWHYSHO-AWEZNQCLSA-N 0 1 271.360 2.549 20 30 CFEDMN C#CC[C@H]1CCC[N@H+]([C@@H](C(=O)[O-])c2ccsc2)C1 ZINC000849344268 633622698 /nfs/dbraw/zinc/62/26/98/633622698.db2.gz HDPPOOUAHKJYMS-WCQYABFASA-N 0 1 263.362 2.609 20 30 CFEDMN C#CC[C@H]1CCC[N@H+]([C@@H](C(=O)[O-])c2ccccc2)C1 ZINC000849344089 633623089 /nfs/dbraw/zinc/62/30/89/633623089.db2.gz BINDFKXFSOEAMY-DZGCQCFKSA-N 0 1 257.333 2.548 20 30 CFEDMN C#CC[C@@H]1CCC[N@H+]([C@@H](C(=O)[O-])c2ccccc2F)C1 ZINC000849344287 633623111 /nfs/dbraw/zinc/62/31/11/633623111.db2.gz HSZAHHPBABSKOW-IUODEOHRSA-N 0 1 275.323 2.687 20 30 CFEDMN CCCCCCCNC(=O)N[C@H]1CCc2nc[nH]c2C1 ZINC000858113414 636130516 /nfs/dbraw/zinc/13/05/16/636130516.db2.gz IAQHHNXQQIFRJC-LBPRGKRZSA-N 0 1 278.400 2.537 20 30 CFEDMN C=C(Cl)CNCc1ccc(O[C@H](C)COC)cc1 ZINC000850143340 633854853 /nfs/dbraw/zinc/85/48/53/633854853.db2.gz FFTARIWFLHHINY-GFCCVEGCSA-N 0 1 269.772 2.942 20 30 CFEDMN C#C[C@@H](NCc1cc2c(cccc2C)[nH]1)[C@H]1CCCO1 ZINC000850250995 633913157 /nfs/dbraw/zinc/91/31/57/633913157.db2.gz JFSHBXSUUFLPEX-NVXWUHKLSA-N 0 1 268.360 2.747 20 30 CFEDMN N#CCC1(C[NH2+]Cc2c([O-])cccc2Br)CC1 ZINC000858161224 636144644 /nfs/dbraw/zinc/14/46/44/636144644.db2.gz HYSVZWQHYDDVQC-UHFFFAOYSA-N 0 1 295.180 2.938 20 30 CFEDMN CO[C@@H](C(=O)C(C#N)c1cnc2ccccc2n1)C1CCC1 ZINC000850984648 634167478 /nfs/dbraw/zinc/16/74/78/634167478.db2.gz AELBMCNZNYSVMD-SJKOYZFVSA-N 0 1 295.342 2.621 20 30 CFEDMN CCCn1nccc1/C=C/C(=O)c1ccc(OC)cc1O ZINC000853006809 634872620 /nfs/dbraw/zinc/87/26/20/634872620.db2.gz KQQUNPGAVPKEDM-QPJJXVBHSA-N 0 1 286.331 2.903 20 30 CFEDMN C=CC1CCN(Cn2ncc3cc([N+](=O)[O-])ccc32)CC1 ZINC000111166687 634937675 /nfs/dbraw/zinc/93/76/75/634937675.db2.gz GCKQVFDHLPYBFJ-UHFFFAOYSA-N 0 1 286.335 2.800 20 30 CFEDMN FC(F)(F)c1ccc(NN=Cc2cc3n(n2)CCC3)nc1 ZINC000853262651 634954764 /nfs/dbraw/zinc/95/47/64/634954764.db2.gz FGDRBCCDSSZGCH-UHFFFAOYSA-N 0 1 295.268 2.689 20 30 CFEDMN CC1(C)CCC[C@@H]1NN=Cc1ccnn1-c1ccncc1 ZINC000853342009 634977009 /nfs/dbraw/zinc/97/70/09/634977009.db2.gz YLFXVDUYQXIOAN-HNNXBMFYSA-N 0 1 283.379 2.770 20 30 CFEDMN Cc1nn(-c2ccncc2)cc1C=NN1CCCC[C@H]1C ZINC000853380180 634987199 /nfs/dbraw/zinc/98/71/99/634987199.db2.gz PKIYURZXUNOUSR-CYBMUJFWSA-N 0 1 283.379 2.784 20 30 CFEDMN C[C@@H]1CCCCN1N=Cc1cc(O)ccc1[N+](=O)[O-] ZINC000853379381 634987422 /nfs/dbraw/zinc/98/74/22/634987422.db2.gz ICXXOWMTWJIITI-SNVBAGLBSA-N 0 1 263.297 2.509 20 30 CFEDMN C[C@H]1CCCCN1N=C1C(=O)Nc2cc(O)c(Cl)cc21 ZINC000853384926 634989652 /nfs/dbraw/zinc/98/96/52/634989652.db2.gz OHSYYMQSUVCRCD-QMMMGPOBSA-N 0 1 293.754 2.576 20 30 CFEDMN Cc1nnc(NN=Cc2ccc(C)cc2Cl)n1C ZINC000853431400 634997630 /nfs/dbraw/zinc/99/76/30/634997630.db2.gz ZDSLXIRMUVVJHL-UHFFFAOYSA-N 0 1 263.732 2.531 20 30 CFEDMN C[C@H]1CC(N=Nc2ccc(Cl)cn2)CN1C1CC1 ZINC000853437714 634999033 /nfs/dbraw/zinc/99/90/33/634999033.db2.gz SEBPBJYFMFNOCE-VIFPVBQESA-N 0 1 264.760 2.760 20 30 CFEDMN C#CCCCOc1cccnc1NCCN1CC=CCC1 ZINC000853560662 635036461 /nfs/dbraw/zinc/03/64/61/635036461.db2.gz QHOJWVGUCNQUKU-UHFFFAOYSA-N 0 1 285.391 2.548 20 30 CFEDMN N#Cc1ccc(-c2ccn(CN3CC[C@H]4C[C@H]4C3)n2)cc1 ZINC000853581477 635042367 /nfs/dbraw/zinc/04/23/67/635042367.db2.gz VOCBVRGSYGEWPU-HOTGVXAUSA-N 0 1 278.359 2.721 20 30 CFEDMN Cc1ccn(CN2CCC[C@@H]3CCCC[C@@H]32)c(=O)c1C#N ZINC000853634093 635054319 /nfs/dbraw/zinc/05/43/19/635054319.db2.gz KWEWLDYLVBFEFN-HOCLYGCPSA-N 0 1 285.391 2.641 20 30 CFEDMN C=CC[C@@H]1CCCN(C(=O)c2cc(C3CC3)[nH]n2)C1 ZINC000855438301 635550918 /nfs/dbraw/zinc/55/09/18/635550918.db2.gz FGTXGCGRHGJYJB-LLVKDONJSA-N 0 1 259.353 2.715 20 30 CFEDMN C=CCCONC(=O)C(C)(C)c1ccccc1OC ZINC000856031356 635706211 /nfs/dbraw/zinc/70/62/11/635706211.db2.gz MGZCBCIDJBTDAC-UHFFFAOYSA-N 0 1 263.337 2.597 20 30 CFEDMN C=CCCONC(=O)C(C)(C)c1ccc(OC)c(OC)c1 ZINC000856032993 635707997 /nfs/dbraw/zinc/70/79/97/635707997.db2.gz VDCRXIRBFFPLLZ-UHFFFAOYSA-N 0 1 293.363 2.605 20 30 CFEDMN C[C@H](NC[C@@H](O)CC(C)(C)C#N)c1c(F)cccc1F ZINC000856732935 635842953 /nfs/dbraw/zinc/84/29/53/635842953.db2.gz HXWGPKIFWMXQLN-QWRGUYRKSA-N 0 1 282.334 2.916 20 30 CFEDMN CCCCCCCCN(C)[C@H](C)CS(C)(=O)=O ZINC000158113720 650221997 /nfs/dbraw/zinc/22/19/97/650221997.db2.gz JIMVDRGKMWMYCO-CYBMUJFWSA-N 0 1 263.447 2.712 20 30 CFEDMN Cc1ccc(O[C@H]2CCN(Cc3ccc(C#N)s3)C2)nc1 ZINC000858013015 636114905 /nfs/dbraw/zinc/11/49/05/636114905.db2.gz OUERVGNYWBOLTN-ZDUSSCGKSA-N 0 1 299.399 2.977 20 30 CFEDMN CCC#C[C@H](C)N1CC[C@@H](Oc2ccc(C)cn2)C1 ZINC000858040260 636117602 /nfs/dbraw/zinc/11/76/02/636117602.db2.gz CQNRSHIIBGQBEC-LSDHHAIUSA-N 0 1 258.365 2.645 20 30 CFEDMN C#CC[C@H](COC)NCc1cc(O)cc(C(F)(F)F)c1 ZINC000858335220 636195481 /nfs/dbraw/zinc/19/54/81/636195481.db2.gz PJSPSMBQUGGGDV-GFCCVEGCSA-N 0 1 287.281 2.539 20 30 CFEDMN C#CC[C@@H](COC)NCc1cc(C(F)(F)F)ccc1F ZINC000858334702 636195890 /nfs/dbraw/zinc/19/58/90/636195890.db2.gz FVQTUKNDGTXMBF-LBPRGKRZSA-N 0 1 289.272 2.972 20 30 CFEDMN COC(=O)C1=CC[C@@H](N[C@H](C)c2ccc(C#N)cc2F)C1 ZINC000858473589 636260425 /nfs/dbraw/zinc/26/04/25/636260425.db2.gz PDCCFOCKFMVJGT-ZWNOBZJWSA-N 0 1 288.322 2.610 20 30 CFEDMN C=CC[C@@H]1CC[C@@H](NC(c2ccnn2C)c2ccnn2C)C1 ZINC000858585618 636300451 /nfs/dbraw/zinc/30/04/51/636300451.db2.gz LGZORGLSQQBPCD-ZIAGYGMSSA-N 0 1 299.422 2.577 20 30 CFEDMN CC[C@H]1CO[C@H](C)CN1CCCOc1ccc(C#N)cc1 ZINC000048068818 650254375 /nfs/dbraw/zinc/25/43/75/650254375.db2.gz HUVSCJHVFSFZFO-ZBFHGGJFSA-N 0 1 288.391 2.826 20 30 CFEDMN CSCCCCCCC(=O)C(C#N)C(=O)N1CCCC1 ZINC000860461164 636891021 /nfs/dbraw/zinc/89/10/21/636891021.db2.gz FSWQVCQKFAMOHS-CYBMUJFWSA-N 0 1 296.436 2.631 20 30 CFEDMN Cc1cc(C(C#N)C(=O)C[C@@H](C)C(F)(F)F)nc(C)n1 ZINC000860465603 636891496 /nfs/dbraw/zinc/89/14/96/636891496.db2.gz KZQOPNDEHRCGFH-GMSGAONNSA-N 0 1 285.269 2.858 20 30 CFEDMN C#CCN1CCC[C@H]1COC(=O)CC1CCC(F)(F)CC1 ZINC000860529941 636905270 /nfs/dbraw/zinc/90/52/70/636905270.db2.gz OHWBBMLVJGIFFI-AWEZNQCLSA-N 0 1 299.361 2.843 20 30 CFEDMN C=CCC[C@H](C(=O)OCCN1CCC1)c1ccccc1 ZINC000861389753 637187118 /nfs/dbraw/zinc/18/71/18/637187118.db2.gz XFRFSVZDBZOMTI-INIZCTEOSA-N 0 1 273.376 2.985 20 30 CFEDMN Cc1nccnc1[C@H](C)NCc1ccc(OCC#N)cc1 ZINC000188180573 650317911 /nfs/dbraw/zinc/31/79/11/650317911.db2.gz KURSBKRFLRAIPO-ZDUSSCGKSA-N 0 1 282.347 2.538 20 30 CFEDMN Cc1c(F)nccc1CN(C)C[C@@H](O)c1cccc(C#N)c1 ZINC000862401493 637358958 /nfs/dbraw/zinc/35/89/58/637358958.db2.gz POSIYDRXRGRVJH-MRXNPFEDSA-N 0 1 299.349 2.566 20 30 CFEDMN C#CC[C@@H](CCOC)[NH2+]Cc1cc(Cl)c(C)cc1[O-] ZINC000862548558 637421109 /nfs/dbraw/zinc/42/11/09/637421109.db2.gz IDVIGJZZKTZOHM-ZDUSSCGKSA-N 0 1 281.783 2.872 20 30 CFEDMN O=c1[n-]c(N=NC[C@@H]2CC23CC3)nc2ccccc21 ZINC000863101162 637554973 /nfs/dbraw/zinc/55/49/73/637554973.db2.gz LAOFZTICKDKYLS-VIFPVBQESA-N 0 1 254.293 2.533 20 30 CFEDMN O=c1[nH]c(N=NC[C@@H]2CC23CC3)nc2ccccc21 ZINC000863101162 637554979 /nfs/dbraw/zinc/55/49/79/637554979.db2.gz LAOFZTICKDKYLS-VIFPVBQESA-N 0 1 254.293 2.533 20 30 CFEDMN CC(C)(O)CNN=Cc1c(Cl)cccc1N1CCCC1 ZINC000863138136 637568241 /nfs/dbraw/zinc/56/82/41/637568241.db2.gz AULIODWZJQVDQW-UHFFFAOYSA-N 0 1 295.814 2.635 20 30 CFEDMN Cc1cccc(NN=Cc2nc(C(C)(C)C)no2)n1 ZINC000863159701 637573762 /nfs/dbraw/zinc/57/37/62/637573762.db2.gz CBRIVLDLZYLSIT-UHFFFAOYSA-N 0 1 259.313 2.517 20 30 CFEDMN Cc1cccc([N-]N=Cc2nccn2CC(F)(F)F)[nH+]1 ZINC000863160134 637574402 /nfs/dbraw/zinc/57/44/02/637574402.db2.gz RSWFURWKNMYBNY-UHFFFAOYSA-N 0 1 283.257 2.595 20 30 CFEDMN CC(C)CC=Nn1c(=O)c2ccccc2[nH]c1=S ZINC000863967739 637823074 /nfs/dbraw/zinc/82/30/74/637823074.db2.gz UTYIUUFWPPFYGA-UHFFFAOYSA-N 0 1 261.350 2.565 20 30 CFEDMN C=CCN(CC=C)C(=O)c1c(Cl)[nH]nc1C1CC1 ZINC000864413742 637968934 /nfs/dbraw/zinc/96/89/34/637968934.db2.gz RWYUZKMRKAITLI-UHFFFAOYSA-N 0 1 265.744 2.755 20 30 CFEDMN CC(C)(C)c1nc[nH]c1C(=O)Nc1cccc(OCC#N)c1 ZINC000864901613 638118524 /nfs/dbraw/zinc/11/85/24/638118524.db2.gz KEYCYCLXZMBVGI-UHFFFAOYSA-N 0 1 298.346 2.862 20 30 CFEDMN C=CCCC[N@H+](C)CC(=O)Nc1cccnc1Cl ZINC000076735433 650400244 /nfs/dbraw/zinc/40/02/44/650400244.db2.gz LGFOFQOAHCTGER-UHFFFAOYSA-N 0 1 267.760 2.572 20 30 CFEDMN C=CCCCN(C)CC(=O)Nc1cccnc1Cl ZINC000076735433 650400246 /nfs/dbraw/zinc/40/02/46/650400246.db2.gz LGFOFQOAHCTGER-UHFFFAOYSA-N 0 1 267.760 2.572 20 30 CFEDMN C[C@@H]1CCC[C@H](C(=O)C(C#N)C(=O)NCc2ccccc2)C1 ZINC000076825994 650406306 /nfs/dbraw/zinc/40/63/06/650406306.db2.gz OARXGZSOVQVEIP-VNQPRFMTSA-N 0 1 298.386 2.838 20 30 CFEDMN C=CCCOCCNCc1cccnc1Br ZINC000865511337 638387019 /nfs/dbraw/zinc/38/70/19/638387019.db2.gz BDCXLQYBHOBKGZ-UHFFFAOYSA-N 0 1 285.185 2.526 20 30 CFEDMN Cc1cncc(CNCc2cc(C#N)ccc2N(C)C)c1 ZINC000865511724 638387704 /nfs/dbraw/zinc/38/77/04/638387704.db2.gz FBOYJEADPIYVTM-UHFFFAOYSA-N 0 1 280.375 2.618 20 30 CFEDMN C#CCN(CCC(=O)CC)[C@@H]1CCc2ccccc21 ZINC000190198049 650418947 /nfs/dbraw/zinc/41/89/47/650418947.db2.gz METVVFIBHHXSFD-QGZVFWFLSA-N 0 1 255.361 2.978 20 30 CFEDMN C=C(C)CNCc1cc(Br)cnc1OC ZINC000865558555 638422086 /nfs/dbraw/zinc/42/20/86/638422086.db2.gz SJAOXRDEDMCABL-UHFFFAOYSA-N 0 1 271.158 2.518 20 30 CFEDMN C[C@@H]1[C@H](C)N(c2cc(C(F)(F)F)cc(C#N)n2)CCN1C ZINC000865654337 638491770 /nfs/dbraw/zinc/49/17/70/638491770.db2.gz NKPRZIKRNPWWHH-ZJUUUORDSA-N 0 1 298.312 2.501 20 30 CFEDMN C[C@@H](C#N)Oc1ccc(CN[C@@H]2CCCn3nccc32)cc1 ZINC000865871302 638629443 /nfs/dbraw/zinc/62/94/43/638629443.db2.gz GVMHEXBPWPMGMD-XJKSGUPXSA-N 0 1 296.374 2.799 20 30 CFEDMN C#CCCOc1ccc(CN[C@@H]2CCCn3nccc32)cc1 ZINC000865872770 638630570 /nfs/dbraw/zinc/63/05/70/638630570.db2.gz UQUPDPLZSTVQQQ-QGZVFWFLSA-N 0 1 295.386 2.910 20 30 CFEDMN CN1CCN(c2cc(C(F)(F)F)cc(C#N)n2)CC1(C)C ZINC000865914703 638654864 /nfs/dbraw/zinc/65/48/64/638654864.db2.gz UPTBQJKVBHRHEX-UHFFFAOYSA-N 0 1 298.312 2.502 20 30 CFEDMN C#CCCCOC(=O)c1ccc(-c2nnc(C3CC3)[nH]2)cc1 ZINC000120932533 638763190 /nfs/dbraw/zinc/76/31/90/638763190.db2.gz SVQHUIPOGAKHKB-UHFFFAOYSA-N 0 1 295.342 2.919 20 30 CFEDMN CCCN1CCC([NH2+][C@@H](C)c2cccc(C#N)c2[O-])CC1 ZINC000866218708 638773032 /nfs/dbraw/zinc/77/30/32/638773032.db2.gz WINJDYBHJAYFMI-ZDUSSCGKSA-N 0 1 287.407 2.789 20 30 CFEDMN C[C@H](N[C@@H](C)C(F)(F)F)c1cccc(C#N)c1O ZINC000866358539 638803382 /nfs/dbraw/zinc/80/33/82/638803382.db2.gz JKWLUMXOFNUNGW-YUMQZZPRSA-N 0 1 258.243 2.865 20 30 CFEDMN C=CCOCCCN[C@H]1c2ccccc2OC[C@@H]1F ZINC000866389376 638812346 /nfs/dbraw/zinc/81/23/46/638812346.db2.gz FXXBKTFFFNQJQK-ZFWWWQNUSA-N 0 1 265.328 2.641 20 30 CFEDMN N#Cc1ccc2c(c1)[C@H](NCc1ccnc(F)c1)CC2 ZINC000866473775 638827201 /nfs/dbraw/zinc/82/72/01/638827201.db2.gz HCIXONPTUYUFFU-OAHLLOKOSA-N 0 1 267.307 2.869 20 30 CFEDMN CC(C)CN(C(=O)[C@H]1NCCc2cc(C#N)ccc21)C(C)C ZINC000867927153 638906081 /nfs/dbraw/zinc/90/60/81/638906081.db2.gz CEVPCEBMRSDGGJ-KRWDZBQOSA-N 0 1 299.418 2.638 20 30 CFEDMN C[C@@H](N(C)C(=O)[C@@H]1NCCc2cc(C#N)ccc21)C(C)(C)C ZINC000867948349 638908006 /nfs/dbraw/zinc/90/80/06/638908006.db2.gz TYKGMRSCHZEELK-MLGOLLRUSA-N 0 1 299.418 2.638 20 30 CFEDMN C[C@@H]1CCCCCN1C(=O)[C@@H]1NCCc2cc(C#N)ccc21 ZINC000867948333 638908098 /nfs/dbraw/zinc/90/80/98/638908098.db2.gz SVEILWCKSVTDTI-CXAGYDPISA-N 0 1 297.402 2.536 20 30 CFEDMN C=C(C)CONC(=O)C(C)(C)c1cccc(OC)c1 ZINC000869153777 639050746 /nfs/dbraw/zinc/05/07/46/639050746.db2.gz WKGOEHIEXWGWKQ-UHFFFAOYSA-N 0 1 263.337 2.597 20 30 CFEDMN N#CC[C@@H]1CCCN(C(=O)c2c(Cl)[nH]nc2C2CC2)C1 ZINC000869231264 639089402 /nfs/dbraw/zinc/08/94/02/639089402.db2.gz PRCVKVSQSQNNOX-VIFPVBQESA-N 0 1 292.770 2.706 20 30 CFEDMN CCN(C[C@@H](C)C#N)C[C@@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC000078047628 650472576 /nfs/dbraw/zinc/47/25/76/650472576.db2.gz BNTFIZFUAHFHCT-KBPBESRZSA-N 0 1 295.427 2.725 20 30 CFEDMN Cc1cc(C(C#N)C(=O)[C@@H]2C[C@H]2C(C)(C)C)nc(C)n1 ZINC000870134980 639528059 /nfs/dbraw/zinc/52/80/59/639528059.db2.gz QNBFBPDRKGANJO-JHJVBQTASA-N 0 1 271.364 2.952 20 30 CFEDMN C[C@@H]1C[C@H](C(=O)C(C#N)c2nc3ccccc3o2)[C@@H](C)O1 ZINC000870162808 639530265 /nfs/dbraw/zinc/53/02/65/639530265.db2.gz NMELFPTVUAHVDY-WISYIIOYSA-N 0 1 284.315 2.818 20 30 CFEDMN COc1ccc(CNCc2cncc(C)c2)cc1C#N ZINC000123180712 639706672 /nfs/dbraw/zinc/70/66/72/639706672.db2.gz OLZZEFMGRKTJSD-UHFFFAOYSA-N 0 1 267.332 2.560 20 30 CFEDMN C#Cc1cccc(N(C)C(=O)c2c(O)cccc2F)c1 ZINC000123184589 639707884 /nfs/dbraw/zinc/70/78/84/639707884.db2.gz CXMDHAKNUBNGCB-UHFFFAOYSA-N 0 1 269.275 2.789 20 30 CFEDMN N#Cc1cccc(ONC(=O)[C@@H]2CC23CCSCC3)c1 ZINC000870690047 639772668 /nfs/dbraw/zinc/77/26/68/639772668.db2.gz HTXYUMWQTIQRJE-ZDUSSCGKSA-N 0 1 288.372 2.502 20 30 CFEDMN CC(C)(CC(F)(F)F)C(=O)NOc1cccc(C#N)c1 ZINC000870690807 639773525 /nfs/dbraw/zinc/77/35/25/639773525.db2.gz UTWWOGCMCWBCSF-UHFFFAOYSA-N 0 1 286.253 2.947 20 30 CFEDMN CC1=C(C(=O)Nc2nc3ccc(C#N)cc3[nH]2)CCC1 ZINC000871071608 641184635 /nfs/dbraw/zinc/18/46/35/641184635.db2.gz DJJKKVIDCMVDBQ-UHFFFAOYSA-N 0 1 266.304 2.873 20 30 CFEDMN CCOC1(C(=O)Nc2nc3ccc(C#N)cc3[nH]2)CCCC1 ZINC000871072642 641186047 /nfs/dbraw/zinc/18/60/47/641186047.db2.gz MVSFRQFOFIMUTA-UHFFFAOYSA-N 0 1 298.346 2.722 20 30 CFEDMN CC[C@H](SC)C(=O)Nc1nc2ccc(C#N)cc2[nH]1 ZINC000871073389 641187632 /nfs/dbraw/zinc/18/76/32/641187632.db2.gz ZSWDRNNTVQMKEO-NSHDSACASA-N 0 1 274.349 2.515 20 30 CFEDMN CC1(C)CC[C@@H]1C(=O)Nc1nc2ccc(C#N)cc2[nH]1 ZINC000871073364 641187915 /nfs/dbraw/zinc/18/79/15/641187915.db2.gz ZBQKSFLUJYDPJE-SNVBAGLBSA-N 0 1 268.320 2.809 20 30 CFEDMN N#Cc1ccc2nc(NC(=O)CCCC3CC3)[nH]c2c1 ZINC000871073276 641188423 /nfs/dbraw/zinc/18/84/23/641188423.db2.gz VXVXBUMCOZBLPW-UHFFFAOYSA-N 0 1 268.320 2.953 20 30 CFEDMN C[C@@H](C(=O)Nc1nc2ccc(C#N)cc2[nH]1)C1CCC1 ZINC000871073381 641188566 /nfs/dbraw/zinc/18/85/66/641188566.db2.gz ZLTJJCSTLMJLCM-SECBINFHSA-N 0 1 268.320 2.809 20 30 CFEDMN N#CCC[C@@H](C#N)CNCCSCCC(F)(F)F ZINC000871920526 641512867 /nfs/dbraw/zinc/51/28/67/641512867.db2.gz CZZUCNPQIIMUBS-JTQLQIEISA-N 0 1 279.331 2.705 20 30 CFEDMN C=C[C@@H]1OCC[C@H]1N[C@@H](C)c1cc(O)ccc1F ZINC000872076419 641609216 /nfs/dbraw/zinc/60/92/16/641609216.db2.gz LEFFJYHGQFZGMV-FZZIBODNSA-N 0 1 251.301 2.525 20 30 CFEDMN C=CCC(C)(C)c1noc(-c2oc(CN)cc2C)n1 ZINC000872182758 641696631 /nfs/dbraw/zinc/69/66/31/641696631.db2.gz PNVVMNQIWYWPCT-UHFFFAOYSA-N 0 1 261.325 2.950 20 30 CFEDMN C=C(C)[C@@H](NC[C@@H](O)CC(C)(C)O)c1ccc(F)c(F)c1 ZINC000872206140 641701200 /nfs/dbraw/zinc/70/12/00/641701200.db2.gz PBNSOSCEKXJGQZ-SWLSCSKDSA-N 0 1 299.361 2.694 20 30 CFEDMN CCCCCCCCN1CCOC[C@]12CCOC2 ZINC000193713842 650686991 /nfs/dbraw/zinc/68/69/91/650686991.db2.gz JRTRCJWQPKOVMV-OAHLLOKOSA-N 0 1 255.402 2.838 20 30 CFEDMN CC1(C)[C@H]2[C@H](CCCN2CC#Cc2ccccc2)[C@@H]1O ZINC000872261043 641724344 /nfs/dbraw/zinc/72/43/44/641724344.db2.gz YPZQQLRGQADFLM-BBWFWOEESA-N 0 1 269.388 2.519 20 30 CFEDMN N#CCC[C@H](C#N)CN1CCC[C@H](OC2CCC2)CC1 ZINC000872274753 641733495 /nfs/dbraw/zinc/73/34/95/641733495.db2.gz BLCOXMSLPMJJQT-ZBFHGGJFSA-N 0 1 275.396 2.854 20 30 CFEDMN CCCn1cc(CN=Nc2cc(F)c(F)cc2F)nn1 ZINC000872352219 641763345 /nfs/dbraw/zinc/76/33/45/641763345.db2.gz JSIPPBKXUKQRQC-UHFFFAOYSA-N 0 1 283.257 2.551 20 30 CFEDMN CCCC(=NNC1=N[C@H]2CCCC[C@@H]2N1)c1cc(C)ccn1 ZINC000872359673 641766990 /nfs/dbraw/zinc/76/69/90/641766990.db2.gz LTPDGRIHMTYIAA-KBPBESRZSA-N 0 1 299.422 2.754 20 30 CFEDMN CC(C)(C)c1csc(C=NNc2cncnc2)n1 ZINC000872372618 641778092 /nfs/dbraw/zinc/77/80/92/641778092.db2.gz FPNGTAQFDYSDIJ-UHFFFAOYSA-N 0 1 261.354 2.677 20 30 CFEDMN COc1cc(C)ccc1C(C)N=Nc1cc(C)nc(N)n1 ZINC000872420172 641804575 /nfs/dbraw/zinc/80/45/75/641804575.db2.gz LTGBTKSMTAMKML-UHFFFAOYSA-N 0 1 285.351 2.520 20 30 CFEDMN Cc1cc(N=NCc2cnc(C3CCC3)s2)nc(N)n1 ZINC000872420650 641805667 /nfs/dbraw/zinc/80/56/67/641805667.db2.gz KJRVVJGYWZODSE-UHFFFAOYSA-N 0 1 288.380 2.537 20 30 CFEDMN CCOc1ccc(C(C)=NN=c2cc(C)[nH]c(N)n2)cc1 ZINC000872420509 641806041 /nfs/dbraw/zinc/80/60/41/641806041.db2.gz QOZITJGGDUIXAU-UHFFFAOYSA-N 0 1 285.351 2.602 20 30 CFEDMN CCCC(N)=NOCCCc1cccc(OC)c1 ZINC000124151830 641859086 /nfs/dbraw/zinc/85/90/86/641859086.db2.gz QAIRFMJNRRWACH-UHFFFAOYSA-N 0 1 250.342 2.717 20 30 CFEDMN Cc1ccn(CN(C)C[C@H](C)C(C)(C)C)c(=O)c1C#N ZINC000872817786 641946141 /nfs/dbraw/zinc/94/61/41/641946141.db2.gz BWHUFJBOYDYJIB-ZDUSSCGKSA-N 0 1 275.396 2.600 20 30 CFEDMN C=CC(C)(C)CCCNC(=O)N[C@@H]1CCc2nc[nH]c2C1 ZINC000873018033 641986613 /nfs/dbraw/zinc/98/66/13/641986613.db2.gz OSXJTDJNKVPMJY-GFCCVEGCSA-N 0 1 290.411 2.559 20 30 CFEDMN C#CC[C@@H](NCc1ccc(C(=O)OC)n1C)c1ccccc1 ZINC000873098686 642012928 /nfs/dbraw/zinc/01/29/28/642012928.db2.gz UHHJSCKYTJLRLQ-MRXNPFEDSA-N 0 1 296.370 2.666 20 30 CFEDMN Cc1nccnc1[C@@H](C)NCc1ccc(O[C@H](C)C#N)cc1 ZINC000873187606 642055441 /nfs/dbraw/zinc/05/54/41/642055441.db2.gz XUFTZSHJDFVISX-TZMCWYRMSA-N 0 1 296.374 2.927 20 30 CFEDMN CCC[C@H](CC)C(=O)C(C#N)C(=O)NC1CCCCC1 ZINC000873498765 642224120 /nfs/dbraw/zinc/22/41/20/642224120.db2.gz YBPVERMJGSBHKP-JSGCOSHPSA-N 0 1 278.396 2.970 20 30 CFEDMN C#CCOc1cccc(NC(=O)[C@@H]2CCN2C2CCCC2)c1 ZINC000874445639 642387531 /nfs/dbraw/zinc/38/75/31/642387531.db2.gz DSEIICUVJBESMG-KRWDZBQOSA-N 0 1 298.386 2.654 20 30 CFEDMN CC[C@@](C)(C#N)NC(=O)C(F)(F)c1cc(F)cc(F)c1 ZINC000875483242 642628085 /nfs/dbraw/zinc/62/80/85/642628085.db2.gz UEZUNGQNFVWHBK-LBPRGKRZSA-N 0 1 288.244 2.865 20 30 CFEDMN CCC[C@H](C#N)NC(=O)C(F)(F)c1cc(F)cc(F)c1 ZINC000875497691 642631157 /nfs/dbraw/zinc/63/11/57/642631157.db2.gz DHKQNSYSSHPGLU-LLVKDONJSA-N 0 1 288.244 2.865 20 30 CFEDMN Cc1ccc(C(=O)C(C#N)c2nc3ccccc3n2C)nc1 ZINC000125905992 642847556 /nfs/dbraw/zinc/84/75/56/642847556.db2.gz HIKPDZRRNJNHHS-GFCCVEGCSA-N 0 1 290.326 2.767 20 30 CFEDMN C#CCCCCCCN1CCN(c2nccs2)CC1 ZINC000876558001 642921198 /nfs/dbraw/zinc/92/11/98/642921198.db2.gz NOTBPWOPJPPNSE-UHFFFAOYSA-N 0 1 277.437 2.849 20 30 CFEDMN N#Cc1cnc(Cl)c(C[N@H+]2CC[C@@H](C3CC3)C2)c1 ZINC000876780471 643006358 /nfs/dbraw/zinc/00/63/58/643006358.db2.gz GSCSSCMNWVDQTH-GFCCVEGCSA-N 0 1 261.756 2.839 20 30 CFEDMN N#Cc1cnc(Cl)c(CN2CC[C@@H](C3CC3)C2)c1 ZINC000876780471 643006362 /nfs/dbraw/zinc/00/63/62/643006362.db2.gz GSCSSCMNWVDQTH-GFCCVEGCSA-N 0 1 261.756 2.839 20 30 CFEDMN COc1ccc(CNCc2ccc(C)o2)cc1C#N ZINC000087824176 650806216 /nfs/dbraw/zinc/80/62/16/650806216.db2.gz TZWYLLXENFPSPJ-UHFFFAOYSA-N 0 1 256.305 2.758 20 30 CFEDMN CCc1ccc([C@H]2CNCCN2C(=O)C#CC(C)(C)C)cc1 ZINC000876838991 643034353 /nfs/dbraw/zinc/03/43/53/643034353.db2.gz OXOGEQOIEDMDBT-QGZVFWFLSA-N 0 1 298.430 2.771 20 30 CFEDMN CCCN(CC(C)C)C(=O)[C@H]1NCCc2cc(C#N)ccc21 ZINC000877031709 643111013 /nfs/dbraw/zinc/11/10/13/643111013.db2.gz TXWAUJWXCMZHCN-KRWDZBQOSA-N 0 1 299.418 2.640 20 30 CFEDMN CCCC[C@H](COC)NCc1cc(C#N)cnc1Cl ZINC000877050695 643121847 /nfs/dbraw/zinc/12/18/47/643121847.db2.gz NKCCJXXSPGJVKI-CYBMUJFWSA-N 0 1 281.787 2.901 20 30 CFEDMN C#CCCCCCCN1CCOC[C@@H]1[C@@H]1CCCC1=O ZINC000877465441 643286153 /nfs/dbraw/zinc/28/61/53/643286153.db2.gz XFZMEGADWUDJEU-JKSUJKDBSA-N 0 1 277.408 2.640 20 30 CFEDMN CC(C)(C)OC(=O)N[C@H]1C[C@@H](NCC2(C#N)CC2)C1(C)C ZINC000877495054 643307564 /nfs/dbraw/zinc/30/75/64/643307564.db2.gz XUKHVPLZCFRZBQ-NEPJUHHUSA-N 0 1 293.411 2.572 20 30 CFEDMN CN(C)c1ccc(C#N)cc1CN(C)Cc1ccc(O)cc1 ZINC000877526349 643329979 /nfs/dbraw/zinc/32/99/79/643329979.db2.gz AFTVGZYTQQHHQP-UHFFFAOYSA-N 0 1 295.386 2.962 20 30 CFEDMN C#C[C@@H](NC1CC(n2cccn2)C1)c1ccc(F)cc1 ZINC000877543888 643345605 /nfs/dbraw/zinc/34/56/05/643345605.db2.gz JIKXQQCENAFRLJ-UYSNPLJNSA-N 0 1 269.323 2.690 20 30 CFEDMN C#CCCCCCCNCc1nn(C)cc1Cl ZINC000877564771 643364363 /nfs/dbraw/zinc/36/43/63/643364363.db2.gz LEGKJQVBQZEDOQ-UHFFFAOYSA-N 0 1 253.777 2.747 20 30 CFEDMN C[C@@H](CCC#N)CN1Cc2cccnc2N2CCC[C@@H]2C1 ZINC000877713696 643478830 /nfs/dbraw/zinc/47/88/30/643478830.db2.gz LOZGUAVXZHAHDA-GOEBONIOSA-N 0 1 284.407 2.806 20 30 CFEDMN C=CC[C@H](C)N1CCN(C(=O)c2ccc(C)cc2)CC1 ZINC000878209692 643793867 /nfs/dbraw/zinc/79/38/67/643793867.db2.gz HBIUPCWWBJZNJF-HNNXBMFYSA-N 0 1 272.392 2.717 20 30 CFEDMN C#CCCCCCN(CC(=O)OCC)C1CCC1 ZINC000878438368 643895780 /nfs/dbraw/zinc/89/57/80/643895780.db2.gz BBPNUGPKDTZSGT-UHFFFAOYSA-N 0 1 251.370 2.598 20 30 CFEDMN C#CCN(C)C[C@H](O)c1ccc(Cl)c(Cl)c1 ZINC000878501152 643918236 /nfs/dbraw/zinc/91/82/36/643918236.db2.gz MFWHHLCFPWDJPR-LBPRGKRZSA-N 0 1 258.148 2.592 20 30 CFEDMN C[C@@H]1CCC[C@@H](C(=O)C(C#N)C(=O)NC2CCCCC2)C1 ZINC000246652450 650878126 /nfs/dbraw/zinc/87/81/26/650878126.db2.gz WRPNXTIHAOFXDK-NFAWXSAZSA-N 0 1 290.407 2.970 20 30 CFEDMN C#CCCCCC[N@H+]1CCOc2cc(O)ccc2C1 ZINC000878609022 643956647 /nfs/dbraw/zinc/95/66/47/643956647.db2.gz LKKIXQYFZGYHFY-UHFFFAOYSA-N 0 1 259.349 2.780 20 30 CFEDMN N#Cc1ccc(CN2CCC[C@H](c3cccnc3)C2)o1 ZINC000878754661 644014582 /nfs/dbraw/zinc/01/45/82/644014582.db2.gz OOJJJEBDPREZMT-AWEZNQCLSA-N 0 1 267.332 2.926 20 30 CFEDMN C[C@@H]1CN(Cc2ccc(CF)cc2)C[C@H](C)N1CC#N ZINC000878772835 644022262 /nfs/dbraw/zinc/02/22/62/644022262.db2.gz SGCNLSOCGLUHMJ-OKILXGFUSA-N 0 1 275.371 2.574 20 30 CFEDMN C[C@H](CC#N)NC[C@@H](O)CO[C@@H](C)c1ccc(Cl)cc1 ZINC000878817427 644037529 /nfs/dbraw/zinc/03/75/29/644037529.db2.gz SWFIIEGSKQPEAR-TYNCELHUSA-N 0 1 296.798 2.670 20 30 CFEDMN Cc1nc(C)c(CN2CCC(c3ccc(C#N)cn3)CC2)o1 ZINC000879023348 644115056 /nfs/dbraw/zinc/11/50/56/644115056.db2.gz KJCRLQXKJJVYNZ-UHFFFAOYSA-N 0 1 296.374 2.938 20 30 CFEDMN Cc1nc(C(C)C)ncc1C(=O)Nc1cc(C#N)ccc1O ZINC000879066010 644131014 /nfs/dbraw/zinc/13/10/14/644131014.db2.gz LSLPCUCVZPNDRK-UHFFFAOYSA-N 0 1 296.330 2.738 20 30 CFEDMN CN(CCCOc1ccc(C#N)cc1)[C@H]1CCC[C@@H]1C#N ZINC000879308530 644217439 /nfs/dbraw/zinc/21/74/39/644217439.db2.gz PYAXWYJEMJQPTL-WBVHZDCISA-N 0 1 283.375 2.951 20 30 CFEDMN C=CC[C@H](C)N1CCc2nnn(C3CC(C)C3)c2C1 ZINC000879330988 644235508 /nfs/dbraw/zinc/23/55/08/644235508.db2.gz SSFGZMASLJUWBU-CPCZMJQVSA-N 0 1 260.385 2.572 20 30 CFEDMN C=CC(C)(C)CC(=O)N1C[C@@H](C)N(CC)C[C@H]1C ZINC000879346995 644240244 /nfs/dbraw/zinc/24/02/44/644240244.db2.gz NCBOCKYYZFNFQL-CHWSQXEVSA-N 0 1 252.402 2.530 20 30 CFEDMN C=C(C)CN1CCC[C@@H](NC(=O)c2c(C)coc2C)C1 ZINC001007253791 650905788 /nfs/dbraw/zinc/90/57/88/650905788.db2.gz CBNCTYHFVZHKSI-CQSZACIVSA-N 0 1 276.380 2.667 20 30 CFEDMN C=CCCCCNC(=O)[C@H]1c2cn[nH]c2CC[C@H]1C ZINC000879514655 644298410 /nfs/dbraw/zinc/29/84/10/644298410.db2.gz MDSCEWBMYLXPMJ-BXUZGUMPSA-N 0 1 261.369 2.548 20 30 CFEDMN N#Cc1ccc(F)cc1CN1CC[C@H]2CSC[C@@H]2C1 ZINC000879559832 644320812 /nfs/dbraw/zinc/32/08/12/644320812.db2.gz PSJGBNMCDVAJKP-JSGCOSHPSA-N 0 1 276.380 2.882 20 30 CFEDMN CCc1nn(C)cc1/C=C/C(=O)c1cc(F)ccc1O ZINC000092208803 650916003 /nfs/dbraw/zinc/91/60/03/650916003.db2.gz QTIIGSTXIMCRDZ-GQCTYLIASA-N 0 1 274.295 2.723 20 30 CFEDMN C=C(C)CN(CC)C(=O)CN1CC[C@](C)(C(F)(F)F)C1 ZINC000880000913 644491299 /nfs/dbraw/zinc/49/12/99/644491299.db2.gz ZUSDGOSCJBEASI-ZDUSSCGKSA-N 0 1 292.345 2.685 20 30 CFEDMN C[C@H]1CN(CCC(C)(C)C#N)CC[C@H](C(F)(F)F)O1 ZINC000880063377 644519174 /nfs/dbraw/zinc/51/91/74/644519174.db2.gz ZZYHULBSVKEBRF-WDEREUQCSA-N 0 1 278.318 2.968 20 30 CFEDMN N#Cc1ccc(CN[C@@]2(c3ccccc3)C[C@@H](O)C2)cc1 ZINC000880223130 644588839 /nfs/dbraw/zinc/58/88/39/644588839.db2.gz UBABPFBKVZVYSM-HDICACEKSA-N 0 1 278.355 2.698 20 30 CFEDMN C[C@H]1CCc2[nH]ncc2[C@H]1C(=O)Nc1cccc(CC#N)c1 ZINC000880234944 644596258 /nfs/dbraw/zinc/59/62/58/644596258.db2.gz WNZGYVKSKKFDHE-ZBEGNZNMSA-N 0 1 294.358 2.780 20 30 CFEDMN N#Cc1ccc(CN2CC[C@@H](CF)C2)c(OC(F)F)c1 ZINC000880293961 644632974 /nfs/dbraw/zinc/63/29/74/644632974.db2.gz GIJWOGOSLPPIMN-NSHDSACASA-N 0 1 284.281 2.951 20 30 CFEDMN C=CCC1(C(=O)NC[C@H]2CCN2CC)CCCCC1 ZINC000882494752 645344025 /nfs/dbraw/zinc/34/40/25/645344025.db2.gz ULVLQPAWNCBHIC-CQSZACIVSA-N 0 1 264.413 2.723 20 30 CFEDMN C=CCC[C@H](C(=O)NC[C@H]1CCN1CC)c1ccccc1 ZINC000882492413 645344137 /nfs/dbraw/zinc/34/41/37/645344137.db2.gz RNLBHQKUUTZCGS-SJORKVTESA-N 0 1 286.419 2.947 20 30 CFEDMN C=C(Br)CN(C[C@@H](C)O)C1CCCCC1 ZINC000303974040 651010548 /nfs/dbraw/zinc/01/05/48/651010548.db2.gz HMNGPKXLUAZKFF-LLVKDONJSA-N 0 1 276.218 2.911 20 30 CFEDMN C#CC[C@@H](CO)NCc1cc(Cl)ccc1OCC1CC1 ZINC000883125121 645614443 /nfs/dbraw/zinc/61/44/43/645614443.db2.gz ZPJUTZICWAATIY-HNNXBMFYSA-N 0 1 293.794 2.603 20 30 CFEDMN C=CCC[C@@H](CO)NCc1c(Cl)n(C)nc1C(C)C ZINC000883138439 645622084 /nfs/dbraw/zinc/62/20/84/645622084.db2.gz CVJLUWLGWBSBCB-NSHDSACASA-N 0 1 285.819 2.614 20 30 CFEDMN C=CCC[C@@H](NCc1nccc(OC)c1F)[C@H]1CCCO1 ZINC000883236328 645685533 /nfs/dbraw/zinc/68/55/33/645685533.db2.gz YXOUGFVTKCRYAA-TZMCWYRMSA-N 0 1 294.370 2.833 20 30 CFEDMN C=CCC[C@@H](NCc1nonc1C)[C@@H]1Cc2ccccc2O1 ZINC000883244650 645692197 /nfs/dbraw/zinc/69/21/97/645692197.db2.gz SJHYTFDFFVWGDL-PBHICJAKSA-N 0 1 299.374 2.806 20 30 CFEDMN C=CCCCCCNC(=O)[C@H](N)Cc1c[nH]c2ccccc12 ZINC000884390540 646336454 /nfs/dbraw/zinc/33/64/54/646336454.db2.gz YPLQTYOFNWHTFR-MRXNPFEDSA-N 0 1 299.418 2.900 20 30 CFEDMN C=C(Cl)CNC(=O)c1ccc(CN(CC)CC)o1 ZINC000134810819 646389251 /nfs/dbraw/zinc/38/92/51/646389251.db2.gz YYIGDPONVFEUOP-UHFFFAOYSA-N 0 1 270.760 2.604 20 30 CFEDMN C#Cc1ccc(NC(=O)CN(CC)C2CC2)c(Cl)c1 ZINC000885671808 646734361 /nfs/dbraw/zinc/73/43/61/646734361.db2.gz XNKHWVASCCNJNS-UHFFFAOYSA-N 0 1 276.767 2.744 20 30 CFEDMN Cc1n[nH]c(CN[C@H]2CCc3cc(C#N)ccc32)c1C ZINC000886098129 646865786 /nfs/dbraw/zinc/86/57/86/646865786.db2.gz JJNQFFZYZWWGFG-HNNXBMFYSA-N 0 1 266.348 2.675 20 30 CFEDMN CCc1nc([C@H](C)NC[C@@H](O)CC2(C#N)CCC2)cs1 ZINC000886129730 646886486 /nfs/dbraw/zinc/88/64/86/646886486.db2.gz MGLMJXUODWRUHQ-RYUDHWBXSA-N 0 1 293.436 2.801 20 30 CFEDMN Cc1ccc(N(CCC#N)C(=O)[C@@H](C)N2C[C@@H]3C[C@@H]3C2)cc1 ZINC000886333210 646975139 /nfs/dbraw/zinc/97/51/39/646975139.db2.gz FESTZUCSOBOIIG-OAGGEKHMSA-N 0 1 297.402 2.582 20 30 CFEDMN C#CC[C@@H]1CC[N@H+](CC(=O)N2CCC[C@@H]3CCCC[C@H]32)C1 ZINC000886354155 646982867 /nfs/dbraw/zinc/98/28/67/646982867.db2.gz XIYYMRDLDXLVDZ-IXDOHACOSA-N 0 1 288.435 2.513 20 30 CFEDMN C#CC[C@@H]1CC[N@H+](CC(=O)N2CCC[C@H]3CCCC[C@@H]32)C1 ZINC000886354156 646982988 /nfs/dbraw/zinc/98/29/88/646982988.db2.gz XIYYMRDLDXLVDZ-ZACQAIPSSA-N 0 1 288.435 2.513 20 30 CFEDMN C#CC[C@H]1CC[N@H+](CC(=O)N(CC)C2CCCCC2)C1 ZINC000886353399 646983028 /nfs/dbraw/zinc/98/30/28/646983028.db2.gz IOMRZVCISUUHBO-HNNXBMFYSA-N 0 1 276.424 2.513 20 30 CFEDMN C#CC[C@H]1CC[N@H+]([C@H](C)C(=O)N(CC)c2ccccc2)C1 ZINC000886353451 646983547 /nfs/dbraw/zinc/98/35/47/646983547.db2.gz JQPABIYNQLSHPH-CVEARBPZSA-N 0 1 284.403 2.773 20 30 CFEDMN C#CC[C@H]1CCN(Cc2cc(F)ccc2[N+](=O)[O-])C1 ZINC000886356249 646985142 /nfs/dbraw/zinc/98/51/42/646985142.db2.gz WURGJUDWYYYVFA-NSHDSACASA-N 0 1 262.284 2.579 20 30 CFEDMN C#CC[C@@H]1CC[N@@H+](Cc2cc(F)cc(C(C)=O)c2[O-])C1 ZINC000886360283 646987140 /nfs/dbraw/zinc/98/71/40/646987140.db2.gz SWCWJRDIMOKLLK-GFCCVEGCSA-N 0 1 275.323 2.579 20 30 CFEDMN C#CC[C@@H]1CC[N@H+](Cc2cc(F)cc(C(C)=O)c2[O-])C1 ZINC000886360283 646987142 /nfs/dbraw/zinc/98/71/42/646987142.db2.gz SWCWJRDIMOKLLK-GFCCVEGCSA-N 0 1 275.323 2.579 20 30 CFEDMN C#CC[C@@H]1CCN(CC(=O)Nc2cc(C)cc(C)c2)C1 ZINC000886359502 646987152 /nfs/dbraw/zinc/98/71/52/646987152.db2.gz DFEQPOBYVNTUCH-OAHLLOKOSA-N 0 1 270.376 2.587 20 30 CFEDMN C#CC[C@H]1CCN(Cc2cccnc2C(F)(F)F)C1 ZINC000886365905 646989773 /nfs/dbraw/zinc/98/97/73/646989773.db2.gz RWOUGEAOWRZGGM-NSHDSACASA-N 0 1 268.282 2.946 20 30 CFEDMN C[C@@H]1CCN(CC(=O)NC2(C#N)CCC2)[C@@H]1c1ccccc1 ZINC000886543738 647041303 /nfs/dbraw/zinc/04/13/03/647041303.db2.gz UUPRMSVVCZJJEN-PBHICJAKSA-N 0 1 297.402 2.632 20 30 CFEDMN C[C@H](c1ccc(C#N)cc1)N1CC[C@@](CO)(C(F)(F)F)C1 ZINC000886799464 647142515 /nfs/dbraw/zinc/14/25/15/647142515.db2.gz RDPXUCVKABMESL-BXUZGUMPSA-N 0 1 298.308 2.866 20 30 CFEDMN C[C@H](c1cccc(C#N)c1)N1CC[C@](CO)(C(F)(F)F)C1 ZINC000886808531 647148147 /nfs/dbraw/zinc/14/81/47/647148147.db2.gz KWDGMFGASZUMNQ-RISCZKNCSA-N 0 1 298.308 2.866 20 30 CFEDMN Cn1nc2c(c1-c1nc3ccc(C#N)cc3[nH]1)CSCC2 ZINC000887307502 647265356 /nfs/dbraw/zinc/26/53/56/647265356.db2.gz BYDKEYIHVVKTPQ-UHFFFAOYSA-N 0 1 295.371 2.624 20 30 CFEDMN C=C1CCC(C(=O)N2C[C@H](C)N(CC)C[C@H]2C)CC1 ZINC000889788408 647671331 /nfs/dbraw/zinc/67/13/31/647671331.db2.gz DEJBDGNVUSOWSQ-UONOGXRCSA-N 0 1 264.413 2.674 20 30 CFEDMN C=C1CCC(C(=O)N2C[C@@H](C)N(CC)C[C@H]2C)CC1 ZINC000889788409 647671758 /nfs/dbraw/zinc/67/17/58/647671758.db2.gz DEJBDGNVUSOWSQ-ZIAGYGMSSA-N 0 1 264.413 2.674 20 30 CFEDMN C[C@@H](CC(C)(C)C#N)N[C@@H](C)c1nnc2ccccn21 ZINC000924588910 648002114 /nfs/dbraw/zinc/00/21/14/648002114.db2.gz MVIPKVQPRVNLTE-RYUDHWBXSA-N 0 1 271.368 2.708 20 30 CFEDMN C[C@@H](NCc1cc(C#N)ccc1F)C1(Cl)CC1 ZINC000925472223 648177211 /nfs/dbraw/zinc/17/72/11/648177211.db2.gz CJVHCCIXECILFO-SECBINFHSA-N 0 1 252.720 2.947 20 30 CFEDMN C=CCNC(=O)CN[C@@H](C)c1c(C)oc2ccccc21 ZINC000925979084 648378552 /nfs/dbraw/zinc/37/85/52/648378552.db2.gz IXHDFDIFVVDKKJ-NSHDSACASA-N 0 1 272.348 2.694 20 30 CFEDMN C=CCCCCCCCN[C@@H](C)c1cnn(C)n1 ZINC000926446081 648490237 /nfs/dbraw/zinc/49/02/37/648490237.db2.gz YSOYHPGGKRLTHH-ZDUSSCGKSA-N 0 1 250.390 2.992 20 30 CFEDMN C=C[C@@H]1OCCC[C@H]1N[C@H](C)c1cn2c(n1)CCCC2 ZINC000926530058 648520109 /nfs/dbraw/zinc/52/01/09/648520109.db2.gz CPVWLBHONVUPDK-NFAWXSAZSA-N 0 1 275.396 2.604 20 30 CFEDMN CC(C)(C)OC(=O)NCC1CC(NCC2(C#N)CCC2)C1 ZINC000926626487 648553981 /nfs/dbraw/zinc/55/39/81/648553981.db2.gz ILEHRPHVQHKWOG-UHFFFAOYSA-N 0 1 293.411 2.573 20 30 CFEDMN N#C[C@@H]1CCCN(C(=O)c2cn[nH]c2-c2ccccc2F)C1 ZINC000928220572 648875872 /nfs/dbraw/zinc/87/58/72/648875872.db2.gz KGOPBDGAFMVPHG-NSHDSACASA-N 0 1 298.321 2.592 20 30 CFEDMN Cc1nc(C)c(C(=O)Nc2ccc(CCC#N)cc2)[nH]1 ZINC000928401729 648907006 /nfs/dbraw/zinc/90/70/06/648907006.db2.gz JYLBCUQSDIYBHT-UHFFFAOYSA-N 0 1 268.320 2.735 20 30 CFEDMN C#CCN1CCC(NC(=O)C2(CC=C)CCCCC2)CC1 ZINC000928651673 648938679 /nfs/dbraw/zinc/93/86/79/648938679.db2.gz ZVFRIDIEOWSHEV-UHFFFAOYSA-N 0 1 288.435 2.727 20 30 CFEDMN C#CCN1CCC(NC(=O)C[C@H](C)c2ccccc2C)CC1 ZINC000928655620 648939099 /nfs/dbraw/zinc/93/90/99/648939099.db2.gz UPNVWLXEBLSNKG-INIZCTEOSA-N 0 1 298.430 2.702 20 30 CFEDMN C#CCN1CCC(NC(=O)[C@@H](c2ccccc2)C(C)C)CC1 ZINC000928656141 648939170 /nfs/dbraw/zinc/93/91/70/648939170.db2.gz MPJTVDRBZABNBM-GOSISDBHSA-N 0 1 298.430 2.640 20 30 CFEDMN CC(C)(C)C(=O)N1CCN(CC2CCC(C#N)CC2)CC1 ZINC000929170621 648994143 /nfs/dbraw/zinc/99/41/43/648994143.db2.gz QEACEPJGFRFGOV-UHFFFAOYSA-N 0 1 291.439 2.507 20 30 CFEDMN C[C@@H]1C[N@@H+](CCCCC2(C#N)CCC2)[C@H](C)CO1 ZINC000929183054 648996930 /nfs/dbraw/zinc/99/69/30/648996930.db2.gz RTLSMVNJPJDUBI-ZIAGYGMSSA-N 0 1 250.386 2.960 20 30 CFEDMN C[C@@H]1CN(CCCCC2(C#N)CCC2)[C@H](C)CO1 ZINC000929183054 648996933 /nfs/dbraw/zinc/99/69/33/648996933.db2.gz RTLSMVNJPJDUBI-ZIAGYGMSSA-N 0 1 250.386 2.960 20 30 CFEDMN CN(C)CC#CCNC(=O)Nc1ccccc1C(C)(C)C ZINC000929191573 648998742 /nfs/dbraw/zinc/99/87/42/648998742.db2.gz NIMVIDVKUICDED-UHFFFAOYSA-N 0 1 287.407 2.671 20 30 CFEDMN C=CCN(CCc1nnc(C)o1)Cc1ccccc1F ZINC000929328717 649032341 /nfs/dbraw/zinc/03/23/41/649032341.db2.gz UUFHPIBFDDXSAM-UHFFFAOYSA-N 0 1 275.327 2.748 20 30 CFEDMN CCO[C@H]1C[C@H](N(C)Cc2cncc(C#N)c2)C12CCC2 ZINC000929840350 649137188 /nfs/dbraw/zinc/13/71/88/649137188.db2.gz DMTGMWPZAREASB-HOTGVXAUSA-N 0 1 285.391 2.733 20 30 CFEDMN N#Cc1cncc(CN2CCC[C@H](C[C@@H]3CCOC3)C2)c1 ZINC000930180802 649199695 /nfs/dbraw/zinc/19/96/95/649199695.db2.gz XSIDACWLLLLONT-CABCVRRESA-N 0 1 285.391 2.592 20 30 CFEDMN CCC[C@H](NC[C@H](O)CC#N)c1ccc(F)cc1F ZINC000930233383 649211150 /nfs/dbraw/zinc/21/11/50/649211150.db2.gz PBRRBZYHFKVSOK-RISCZKNCSA-N 0 1 268.307 2.670 20 30 CFEDMN COc1ccccc1[C@H](CC(C)C)NC[C@H](O)CC#N ZINC000930232726 649211375 /nfs/dbraw/zinc/21/13/75/649211375.db2.gz HKNUWMPGDFNUBX-HIFRSBDPSA-N 0 1 276.380 2.647 20 30 CFEDMN C#CCCCCCC[N@@H+]1CCC[C@@H](c2n[n-]c(=O)o2)C1 ZINC000930306684 649226937 /nfs/dbraw/zinc/22/69/37/649226937.db2.gz KRUTVAQYOBDWJU-CYBMUJFWSA-N 0 1 277.368 2.538 20 30 CFEDMN Cc1cc(C#N)cc(C)c1CN(C(C)C)C1COC1 ZINC000930597120 649283805 /nfs/dbraw/zinc/28/38/05/649283805.db2.gz ZPTHZZLNOSMSAL-UHFFFAOYSA-N 0 1 258.365 2.784 20 30 CFEDMN C[C@@H]1[C@@H](CO)CCCN1Cc1cc(Cl)cc(C#N)c1 ZINC000930741196 649318371 /nfs/dbraw/zinc/31/83/71/649318371.db2.gz ZITAUDIZYSCQDZ-BXUZGUMPSA-N 0 1 278.783 2.804 20 30 CFEDMN C[C@H]1C[C@@H](CO)CN(Cc2cc(Cl)cc(C#N)c2)C1 ZINC000930748838 649319018 /nfs/dbraw/zinc/31/90/18/649319018.db2.gz MDBQEYACDADUFL-SMDDNHRTSA-N 0 1 278.783 2.662 20 30 CFEDMN C[C@H](c1cccc(C#N)c1)N(C)Cc1ccc(N)nc1 ZINC000930763630 649322541 /nfs/dbraw/zinc/32/25/41/649322541.db2.gz GUFLKQWIRZLHKK-GFCCVEGCSA-N 0 1 266.348 2.728 20 30 CFEDMN C[C@@H]1[C@H](C)[N@@H+](CCCCC2(C#N)CCC2)[C@@H](C)C(=O)N1C ZINC000930810559 649328216 /nfs/dbraw/zinc/32/82/16/649328216.db2.gz WJVHXULIMHPKBB-ILXRZTDVSA-N 0 1 291.439 2.790 20 30 CFEDMN C[C@@H]1[C@H](C)N(CCCCC2(C#N)CCC2)[C@@H](C)C(=O)N1C ZINC000930810559 649328218 /nfs/dbraw/zinc/32/82/18/649328218.db2.gz WJVHXULIMHPKBB-ILXRZTDVSA-N 0 1 291.439 2.790 20 30 CFEDMN CC(C)CN(CCC#N)C(=O)c1cccc(F)c1O ZINC000930901496 649346399 /nfs/dbraw/zinc/34/63/99/649346399.db2.gz FQFIAQVJLYESLI-UHFFFAOYSA-N 0 1 264.300 2.543 20 30 CFEDMN C[C@@H](C1CC1)N1CCN(c2ccsc2C#N)CC1 ZINC000930928662 649351457 /nfs/dbraw/zinc/35/14/57/649351457.db2.gz HKGYXHDWFSIHOC-NSHDSACASA-N 0 1 261.394 2.540 20 30 CFEDMN Cc1cc(CNC(C)(C)c2cccc(C#N)c2)c(C)nn1 ZINC000930930505 649351916 /nfs/dbraw/zinc/35/19/16/649351916.db2.gz KPHGSRWNAHWDNN-UHFFFAOYSA-N 0 1 280.375 2.990 20 30 CFEDMN C=CC[N@@H+](C[C@@H]1CC[C@H](C(F)(F)F)O1)[C@@H](C)COC ZINC000930930422 649352339 /nfs/dbraw/zinc/35/23/39/649352339.db2.gz HJJJOFQSHRIICF-SDDRHHMPSA-N 0 1 281.318 2.619 20 30 CFEDMN C[C@@H]1CN(Cc2cc(Cl)cc(C#N)c2)C[C@@H](C)C1O ZINC000930994642 649361706 /nfs/dbraw/zinc/36/17/06/649361706.db2.gz AHSILGRYSJIYJS-GHMZBOCLSA-N 0 1 278.783 2.660 20 30 CFEDMN CC[C@H](C#N)NC(=O)c1cccc2nc(C(F)F)[nH]c21 ZINC000931331097 649410294 /nfs/dbraw/zinc/41/02/94/649410294.db2.gz NZOGLDQSYYUVEW-SSDOTTSWSA-N 0 1 278.262 2.532 20 30 CFEDMN CC[C@@H](C)[C@H](C(=O)OC)N(C)CCc1cccc(C#N)c1 ZINC000931511065 649444450 /nfs/dbraw/zinc/44/44/50/649444450.db2.gz WUXAQZKDPGKELL-CZUORRHYSA-N 0 1 288.391 2.620 20 30 CFEDMN CC(C)N1CCC[C@H]1C(=O)Nc1ccc(F)c(C#N)c1 ZINC000931826753 649495621 /nfs/dbraw/zinc/49/56/21/649495621.db2.gz GOSLSDSQKSZPJB-AWEZNQCLSA-N 0 1 275.327 2.509 20 30 CFEDMN CC(C)(C)OC(=O)N[C@H]1CCCN([C@@H]2CC[C@H](C#N)C2)C1 ZINC000931983803 649520767 /nfs/dbraw/zinc/52/07/67/649520767.db2.gz MOHMPYKJVFECSE-MELADBBJSA-N 0 1 293.411 2.668 20 30 CFEDMN CC(C)(C)OC(=O)N[C@H]1CCCN([C@@H]2CC[C@@H](C#N)C2)C1 ZINC000931983793 649521072 /nfs/dbraw/zinc/52/10/72/649521072.db2.gz MOHMPYKJVFECSE-HZSPNIEDSA-N 0 1 293.411 2.668 20 30 CFEDMN Cn1ccc([C@@H]2CCCN(CC#Cc3ccc(F)cc3)C2)n1 ZINC000932133797 649546547 /nfs/dbraw/zinc/54/65/47/649546547.db2.gz UODQHAJLVCPQEX-MRXNPFEDSA-N 0 1 297.377 2.790 20 30 CFEDMN N#C[C@H]1CCCN(CCCCCN2CCC[C@H](C#N)C2)C1 ZINC000932153592 649552050 /nfs/dbraw/zinc/55/20/50/649552050.db2.gz ZJUMVJFMCBHUSE-IAGOWNOFSA-N 0 1 288.439 2.628 20 30 CFEDMN C#CCCCCCN1CCn2nc(C(F)(F)F)cc2C1 ZINC000932592947 649625738 /nfs/dbraw/zinc/62/57/38/649625738.db2.gz FCVLVWNTICYUDD-UHFFFAOYSA-N 0 1 285.313 2.911 20 30 CFEDMN CC#CCCN1CCC(C(=O)OCC)(C(F)(F)F)CC1 ZINC000932656549 649634525 /nfs/dbraw/zinc/63/45/25/649634525.db2.gz VZFLEYCNXPYNFM-UHFFFAOYSA-N 0 1 291.313 2.607 20 30 CFEDMN C=C[C@@H](CC)CC(=O)Nc1ccn(-c2ccncc2)n1 ZINC000932813226 649645458 /nfs/dbraw/zinc/64/54/58/649645458.db2.gz HEKCHGAHSNXNMY-LBPRGKRZSA-N 0 1 270.336 2.808 20 30 CFEDMN CC(C)N1CCC[C@H]1C(=O)N[C@](C)(C#N)C1CCCCC1 ZINC000932887133 649657632 /nfs/dbraw/zinc/65/76/32/649657632.db2.gz QMIRCRSURKHFNU-DOTOQJQBSA-N 0 1 291.439 2.838 20 30 CFEDMN N#CCN(C(=O)c1cc(F)cc(F)c1O)C1CCCC1 ZINC000933241501 649681549 /nfs/dbraw/zinc/68/15/49/649681549.db2.gz MDOXPMUIXKLORX-UHFFFAOYSA-N 0 1 280.274 2.579 20 30 CFEDMN C=CCCCN1CCO[C@@H](c2ccc(C#N)cc2)C1 ZINC000933629576 649708107 /nfs/dbraw/zinc/70/81/07/649708107.db2.gz SMPGYDYBIOJFRK-MRXNPFEDSA-N 0 1 256.349 2.898 20 30 CFEDMN CC[C@@H](C)CN1CCO[C@@H](c2ccc(C#N)cc2)C1 ZINC000933630069 649708547 /nfs/dbraw/zinc/70/85/47/649708547.db2.gz VWBBSLGXWLGKMT-CZUORRHYSA-N 0 1 258.365 2.978 20 30 CFEDMN C[C@@H](c1cccc(C#N)c1)N1CCC2(CC1)CC(=O)C=CO2 ZINC000933646098 649709530 /nfs/dbraw/zinc/70/95/30/649709530.db2.gz GHKHAIYHABVSJY-AWEZNQCLSA-N 0 1 296.370 2.957 20 30 CFEDMN C[C@]12CN(Cc3ccncc3C#N)C[C@H]1[C@H]1C=C[C@@H]2C1 ZINC000933704200 649715618 /nfs/dbraw/zinc/71/56/18/649715618.db2.gz UNEDQNJKHSIUEP-NKKGCODLSA-N 0 1 265.360 2.597 20 30 CFEDMN C=C(C)CONC(=O)Nc1ccnc(N2CCCCC2)c1 ZINC000934084210 649746202 /nfs/dbraw/zinc/74/62/02/649746202.db2.gz FALTXEPLBJCPBX-UHFFFAOYSA-N 0 1 290.367 2.701 20 30 CFEDMN C=CC[C@@H]1CCN1Cc1cc(=O)[nH]c(-c2ccccc2)n1 ZINC000934460927 649788241 /nfs/dbraw/zinc/78/82/41/649788241.db2.gz TYKCRVAELMBANB-OAHLLOKOSA-N 0 1 281.359 3.000 20 30 CFEDMN C=CC[C@@H]1CCN1Cc1cc(C(=O)OC)sc1C ZINC000934464149 649788697 /nfs/dbraw/zinc/78/86/97/649788697.db2.gz CKGDIPSBXWJBBK-GFCCVEGCSA-N 0 1 265.378 2.994 20 30 CFEDMN C=CC[C@H]1CCN1[C@H](C)C(=O)NCc1ccc(C)cc1 ZINC000934471194 649790547 /nfs/dbraw/zinc/79/05/47/649790547.db2.gz IBOLJRCFSIEHEW-ZBFHGGJFSA-N 0 1 272.392 2.650 20 30 CFEDMN C=CC[C@H]1CCN1CC(=O)N[C@@H]1CCCc2ccccc21 ZINC000934471844 649790931 /nfs/dbraw/zinc/79/09/31/649790931.db2.gz NGKUBKLWKLIRSW-DOTOQJQBSA-N 0 1 284.403 2.831 20 30 CFEDMN C=CC[C@H]1CCN1[C@H](C)C(=O)NC1CCC(C)CC1 ZINC000934472210 649791300 /nfs/dbraw/zinc/79/13/00/649791300.db2.gz ZZURHNOTKVRBBW-JYVUQVBGSA-N 0 1 264.413 2.720 20 30 CFEDMN C=CC[C@H]1CCN1[C@@H](C)C(=O)N(C)C1CCCCC1 ZINC000934472898 649791571 /nfs/dbraw/zinc/79/15/71/649791571.db2.gz RBQMFRJVUYHNGG-ZFWWWQNUSA-N 0 1 264.413 2.816 20 30 CFEDMN CCC#C[C@H](C)N1Cc2ncccc2N2CCC[C@H]2C1 ZINC000934490215 649794472 /nfs/dbraw/zinc/79/44/72/649794472.db2.gz FFDBBOAERIBVLY-GJZGRUSLSA-N 0 1 269.392 2.668 20 30 CFEDMN C#C[C@@H]1CCCCN1Cc1ccc(OC(C)=O)cc1 ZINC000934515537 649796371 /nfs/dbraw/zinc/79/63/71/649796371.db2.gz VPBZEGGOZWBIPS-OAHLLOKOSA-N 0 1 257.333 2.600 20 30 CFEDMN C=CCCCN(CC)Cc1n[nH]c(C)c1C(=O)OCC ZINC000934644682 649810985 /nfs/dbraw/zinc/81/09/85/649810985.db2.gz GKXUHEIWJSUDDN-UHFFFAOYSA-N 0 1 279.384 2.683 20 30 CFEDMN Cc1cccc(C2=CCN(C[C@H](O)CC#N)CC2)c1C ZINC000934841385 649839488 /nfs/dbraw/zinc/83/94/88/649839488.db2.gz OSOPDYNZEBVQLQ-MRXNPFEDSA-N 0 1 270.376 2.667 20 30 CFEDMN C=C(C)CN1CCC[C@@H](NC(=O)c2ccoc2Cl)C1 ZINC001007223811 651132528 /nfs/dbraw/zinc/13/25/28/651132528.db2.gz WZIGJXMUKLCENU-LLVKDONJSA-N 0 1 282.771 2.703 20 30 CFEDMN C=C(C)CN1CCC[C@H](NC(=O)c2cc(C)cs2)C1 ZINC001007302130 651132803 /nfs/dbraw/zinc/13/28/03/651132803.db2.gz ZOOANSUROUMALJ-ZDUSSCGKSA-N 0 1 278.421 2.827 20 30 CFEDMN C=C(C)CN1CCC[C@@H](NC(=O)[C@@]2(C)CC=CCC2)C1 ZINC001007408846 651133943 /nfs/dbraw/zinc/13/39/43/651133943.db2.gz AXNSIQQGPMJBDR-WBVHZDCISA-N 0 1 276.424 2.890 20 30 CFEDMN C=C(C)CN1CCC[C@H](NC(=O)[C@@]2(C)CC=CCC2)C1 ZINC001007408845 651134033 /nfs/dbraw/zinc/13/40/33/651134033.db2.gz AXNSIQQGPMJBDR-RDJZCZTQSA-N 0 1 276.424 2.890 20 30 CFEDMN C=CCN1CCC[C@H](NC(=O)[C@@H]2C[C@H]2c2ccsc2)C1 ZINC001007652864 651137743 /nfs/dbraw/zinc/13/77/43/651137743.db2.gz YSXJCCXMIAKUED-SOUVJXGZSA-N 0 1 290.432 2.618 20 30 CFEDMN C=CCN1CCC[C@H](NC(=O)c2c[nH]c3ccccc23)C1 ZINC001007807865 651139504 /nfs/dbraw/zinc/13/95/04/651139504.db2.gz BICXQRYMPCCJEK-ZDUSSCGKSA-N 0 1 283.375 2.548 20 30 CFEDMN C#CCCN1CCC[C@H](NC(=O)c2ccc(CC)s2)C1 ZINC001007846730 651140101 /nfs/dbraw/zinc/14/01/01/651140101.db2.gz WLBFINNKXFODMD-ZDUSSCGKSA-N 0 1 290.432 2.528 20 30 CFEDMN C=CCN1CCC[C@H](NC(=O)c2ccc(C)c(F)c2)C1 ZINC001007866555 651140115 /nfs/dbraw/zinc/14/01/15/651140115.db2.gz QPXTYCOZUJXMNE-AWEZNQCLSA-N 0 1 276.355 2.514 20 30 CFEDMN C#Cc1ccc(C(=O)N[C@H]2CCCN(CC=C(C)C)C2)cc1 ZINC001008149506 651142930 /nfs/dbraw/zinc/14/29/30/651142930.db2.gz QPKUHCSYUIHNGS-SFHVURJKSA-N 0 1 296.414 2.828 20 30 CFEDMN C=C(C)CN1CCC[C@H](NC(=O)c2coc(C(F)F)c2)C1 ZINC001008317125 651146159 /nfs/dbraw/zinc/14/61/59/651146159.db2.gz NXLFZDGUYZUDQC-LBPRGKRZSA-N 0 1 298.333 2.988 20 30 CFEDMN C=CCN1CCC[C@H](NC(=O)c2ccc(C(C)C)cn2)C1 ZINC001008531929 651150546 /nfs/dbraw/zinc/15/05/46/651150546.db2.gz NGXSFECVEZQYJG-HNNXBMFYSA-N 0 1 287.407 2.585 20 30 CFEDMN C=CCN1CCC[C@@H](NC(=O)c2ccc(C)c(F)c2F)C1 ZINC001008628676 651151407 /nfs/dbraw/zinc/15/14/07/651151407.db2.gz KHUSOICFNLISPM-GFCCVEGCSA-N 0 1 294.345 2.653 20 30 CFEDMN C=CCN1CCC[C@H](NC(=O)[C@@H](C)c2cccc(C)c2)C1 ZINC001008691593 651153025 /nfs/dbraw/zinc/15/30/25/651153025.db2.gz YUHYZHKUNWHBBI-RDJZCZTQSA-N 0 1 286.419 2.865 20 30 CFEDMN C=CCN1CCC[C@@H](NC(=O)[C@H](C)c2ccccc2)C1 ZINC001009271222 651157687 /nfs/dbraw/zinc/15/76/87/651157687.db2.gz VJXCQXMKSWYZIW-GDBMZVCRSA-N 0 1 272.392 2.557 20 30 CFEDMN C=CCN1CCC[C@H](NC(=O)c2cc3ccccc3[nH]2)C1 ZINC001009448868 651160799 /nfs/dbraw/zinc/16/07/99/651160799.db2.gz OAFCVPKEROVZSR-AWEZNQCLSA-N 0 1 283.375 2.548 20 30 CFEDMN C=CCN1CCC[C@@H](NC(=O)c2coc3ccccc23)C1 ZINC001009729199 651164186 /nfs/dbraw/zinc/16/41/86/651164186.db2.gz PCLWWMYXJHAEOC-CYBMUJFWSA-N 0 1 284.359 2.813 20 30 CFEDMN C=C(C)CN1CC[C@H](NC(=O)c2ccc3nc(C)oc3c2)C1 ZINC001014801996 651192086 /nfs/dbraw/zinc/19/20/86/651192086.db2.gz SEWZULFNCBEMKF-AWEZNQCLSA-N 0 1 299.374 2.516 20 30 CFEDMN C=C(C)CN1CC[C@H](NC(=O)C(C)(C)c2cccs2)C1 ZINC001015501313 651202117 /nfs/dbraw/zinc/20/21/17/651202117.db2.gz ZFWPNHBLVYIRKL-ZDUSSCGKSA-N 0 1 292.448 2.792 20 30 CFEDMN C=C(C)CN1CC[C@@H](NC(=O)c2nccc3ccccc32)C1 ZINC001015627978 651206492 /nfs/dbraw/zinc/20/64/92/651206492.db2.gz BQBOPXDGGBNGBR-OAHLLOKOSA-N 0 1 295.386 2.615 20 30 CFEDMN C=C(C)CN1CC[C@H](NC(=O)c2ccc(C(C)C)cn2)C1 ZINC001015704408 651209820 /nfs/dbraw/zinc/20/98/20/651209820.db2.gz AZMUCLMJNNMZJX-HNNXBMFYSA-N 0 1 287.407 2.585 20 30 CFEDMN C=C(C)CN1CC[C@H](NC(=O)c2ccsc2Cl)C1 ZINC001015795327 651213966 /nfs/dbraw/zinc/21/39/66/651213966.db2.gz ULOFMGJVUZTSOO-JTQLQIEISA-N 0 1 284.812 2.782 20 30 CFEDMN C=C(C)CN1CC[C@H](NC(=O)c2cc([C@@H](C)CC)no2)C1 ZINC001015811785 651215066 /nfs/dbraw/zinc/21/50/66/651215066.db2.gz NCEZRKUSIPBNLE-STQMWFEESA-N 0 1 291.395 2.568 20 30 CFEDMN C=C(C)CN1CC[C@@H](NC(=O)C23CCC(CC2)C3(C)C)C1 ZINC001015812405 651215088 /nfs/dbraw/zinc/21/50/88/651215088.db2.gz WRQUNDVDEUMNRX-SWKXRBFHSA-N 0 1 290.451 2.969 20 30 CFEDMN C=CCN1CC[C@H](NC(=O)[C@@]2(c3ccccc3)CC2(C)C)C1 ZINC001015893092 651217017 /nfs/dbraw/zinc/21/70/17/651217017.db2.gz IGGZQBJBLXNBJX-LPHOPBHVSA-N 0 1 298.430 2.731 20 30 CFEDMN C=CCN1CC[C@@H](NC(=O)c2[nH]c3ccc(C)cc3c2C)C1 ZINC001015927371 651218013 /nfs/dbraw/zinc/21/80/13/651218013.db2.gz JBXXSDGLNYCOBU-CQSZACIVSA-N 0 1 297.402 2.775 20 30 CFEDMN C=CCN1CC[C@H](NC(=O)[C@H](C)c2ccc(Cl)s2)C1 ZINC001015962166 651218589 /nfs/dbraw/zinc/21/85/89/651218589.db2.gz FHIANKVABPHGQN-MNOVXSKESA-N 0 1 298.839 2.882 20 30 CFEDMN C=CCN1CC[C@@H](NC(=O)c2ccccc2C(F)(F)F)C1 ZINC001016055057 651222880 /nfs/dbraw/zinc/22/28/80/651222880.db2.gz JCQZFGMYWVZNAZ-LLVKDONJSA-N 0 1 298.308 2.696 20 30 CFEDMN C=C(C)CN1CC[C@H](NC(=O)c2cc3c(s2)CCC3)C1 ZINC001016174667 651227087 /nfs/dbraw/zinc/22/70/87/651227087.db2.gz RCZZYKOHIZJLJG-ZDUSSCGKSA-N 0 1 290.432 2.617 20 30 CFEDMN C=CCN1CC[C@H](NC(=O)C2(c3ccccc3)CCCC2)C1 ZINC001016185810 651227501 /nfs/dbraw/zinc/22/75/01/651227501.db2.gz WNYKYVZMZBRITQ-KRWDZBQOSA-N 0 1 298.430 2.875 20 30 CFEDMN C=C(C)CN1CC[C@H](NC(=O)c2cc(Cl)cn2CC)C1 ZINC001016273508 651229259 /nfs/dbraw/zinc/22/92/59/651229259.db2.gz WKUBTNFCJNWHLS-ZDUSSCGKSA-N 0 1 295.814 2.542 20 30 CFEDMN C=CCN1CC[C@H](NC(=O)C2CC(c3ccccc3)C2)C1 ZINC001016382231 651232918 /nfs/dbraw/zinc/23/29/18/651232918.db2.gz RQPKASQTYGRGJF-JCYILVPMSA-N 0 1 284.403 2.557 20 30 CFEDMN C=CCCN1CC[C@@H](NC(=O)c2cnc(C(C)C)s2)C1 ZINC001016443422 651234417 /nfs/dbraw/zinc/23/44/17/651234417.db2.gz LUAAZDFUAZXTBO-GFCCVEGCSA-N 0 1 293.436 2.647 20 30 CFEDMN C=C(Cl)CN1CCC2(C[C@H]2NC(=O)[C@H](C)C2CC2)CC1 ZINC001016561673 651237318 /nfs/dbraw/zinc/23/73/18/651237318.db2.gz BTJVTNOLNHJJLO-TZMCWYRMSA-N 0 1 296.842 2.756 20 30 CFEDMN C=C(Cl)CN1CCC2(C[C@@H]2NC(=O)C2CC(C)C2)CC1 ZINC001016567251 651237737 /nfs/dbraw/zinc/23/77/37/651237737.db2.gz OOGQNFHFUIIKCL-UBHUBRDASA-N 0 1 296.842 2.756 20 30 CFEDMN C#CCCN1C[C@H]2CC[C@@H](C1)N2C(=O)C1CCCCCC1 ZINC001017408918 651251324 /nfs/dbraw/zinc/25/13/24/651251324.db2.gz SCTPJBLTKRJMBZ-CALCHBBNSA-N 0 1 288.435 2.655 20 30 CFEDMN C=CCCN1C[C@H]2CC[C@@H](C1)N2C(=O)c1ccncc1CC ZINC001017688084 651256211 /nfs/dbraw/zinc/25/62/11/651256211.db2.gz YXWLJSYVIAPHQW-IYBDPMFKSA-N 0 1 299.418 2.509 20 30 CFEDMN C#CCCN1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1CCC[C@@H]1CC ZINC001017902021 651261227 /nfs/dbraw/zinc/26/12/27/651261227.db2.gz IIZNCAPLKLGZQH-MWDXBVQZSA-N 0 1 288.435 2.511 20 30 CFEDMN C=C(Cl)CN[C@H]1CCN(C(=O)c2ccc(F)c(C)c2)C1 ZINC001019310125 651282731 /nfs/dbraw/zinc/28/27/31/651282731.db2.gz AAZWVGOBWDGPSM-ZDUSSCGKSA-N 0 1 296.773 2.691 20 30 CFEDMN C=C(Cl)CN[C@H]1CCN(C(=O)[C@H](C)c2ccc(C)o2)C1 ZINC001019480891 651286204 /nfs/dbraw/zinc/28/62/04/651286204.db2.gz LAFYSQGHEABXOE-OLZOCXBDSA-N 0 1 296.798 2.635 20 30 CFEDMN CNc1cc(C(=O)C(C#N)c2ccccn2)cc(Cl)n1 ZINC000118912312 651294737 /nfs/dbraw/zinc/29/47/37/651294737.db2.gz BTIWORVOKYTKJR-JTQLQIEISA-N 0 1 286.722 2.662 20 30 CFEDMN C=C(C)CC[N@@H+]1CC[C@@H]1CN(C)C(=O)[C@@H]1C[C@H]1C1CCC1 ZINC001085867498 782190278 /nfs/dbraw/zinc/19/02/78/782190278.db2.gz NFZAHIHDJRPBSG-IXDOHACOSA-N 0 1 290.451 2.922 20 30 CFEDMN Cc1nc(N2CCN(CC(C)C)CC2)c(Cl)cc1C#N ZINC000336829865 719340396 /nfs/dbraw/zinc/34/03/96/719340396.db2.gz DSYNOPPEMAADAA-UHFFFAOYSA-N 0 1 292.814 2.693 20 30 CFEDMN N#Cc1cnc(N2CCN(C3CCCC3)CC2)c(Cl)c1 ZINC000263739136 721853631 /nfs/dbraw/zinc/85/36/31/721853631.db2.gz DTIBYJIOOJXHMM-UHFFFAOYSA-N 0 1 290.798 2.671 20 30 CFEDMN C=CCCN1CC[C@@H]1CN(C)C(=O)c1cnoc1C(C)C ZINC001085905509 782198880 /nfs/dbraw/zinc/19/88/80/782198880.db2.gz HQYALOJMUVFXKR-CYBMUJFWSA-N 0 1 291.395 2.520 20 30 CFEDMN C=CCCN1CC[C@H]1CN(C)C(=O)c1scnc1Cl ZINC001085975276 782222781 /nfs/dbraw/zinc/22/27/81/782222781.db2.gz RUTZBCVCMLDICO-JTQLQIEISA-N 0 1 299.827 2.519 20 30 CFEDMN C#CCCN1CC[C@H]1CN(C)C(=O)C12CCC(CC1)CC2 ZINC001085983629 782228351 /nfs/dbraw/zinc/22/83/51/782228351.db2.gz KZHFSFBXRUEAEA-PQUAAJSLSA-N 0 1 288.435 2.513 20 30 CFEDMN N#Cc1cnc2ccc(-c3cc(F)cc(F)c3O)cn12 ZINC001243504990 782239772 /nfs/dbraw/zinc/23/97/72/782239772.db2.gz DBWFRHDQVMIJFO-UHFFFAOYSA-N 0 1 271.226 2.857 20 30 CFEDMN COc1c(F)ccc(-c2cc3[nH]cnc3c(C#N)n2)c1F ZINC001243506350 782241930 /nfs/dbraw/zinc/24/19/30/782241930.db2.gz VAPZSCNBOVZLKP-UHFFFAOYSA-N 0 1 286.241 2.783 20 30 CFEDMN Cc1nnc(-c2ccc(Cl)c(O)c2)c(C#N)c1C ZINC001243576012 782285892 /nfs/dbraw/zinc/28/58/92/782285892.db2.gz DQUXEPXQDDTOSL-UHFFFAOYSA-N 0 1 259.696 2.991 20 30 CFEDMN COc1cnc(-c2ccc(Cl)c(O)c2)c(C#N)c1 ZINC001243576433 782286471 /nfs/dbraw/zinc/28/64/71/782286471.db2.gz GVOVFUGNHZCGPP-UHFFFAOYSA-N 0 1 260.680 2.988 20 30 CFEDMN C[C@@]1(F)CCN(CCc2ccc(C#N)cc2)C[C@@H]1F ZINC001208921084 769966343 /nfs/dbraw/zinc/96/63/43/769966343.db2.gz XODQLXRWOIYFQP-LSDHHAIUSA-N 0 1 264.319 2.873 20 30 CFEDMN C=CCN1CCCC[C@@H]1CNC(=O)C(C)(C)C(C)C ZINC001266842964 770666799 /nfs/dbraw/zinc/66/67/99/770666799.db2.gz YCSCQZNICPOETH-CQSZACIVSA-N 0 1 266.429 2.825 20 30 CFEDMN C#CCN1CC[C@H](NC(=O)[C@@H]2CCCCC2(C)C)[C@H]1CC ZINC001087843095 777718667 /nfs/dbraw/zinc/71/86/67/777718667.db2.gz CTUPOHZRMBLUAP-HRCADAONSA-N 0 1 290.451 2.805 20 30 CFEDMN C=CCN1CC[C@H](NC(=O)c2c(C)nsc2C)[C@H]1CC ZINC001087842572 777718795 /nfs/dbraw/zinc/71/87/95/777718795.db2.gz ZOAHOCXCWUWUKL-QWHCGFSZSA-N 0 1 293.436 2.529 20 30 CFEDMN C=CC[C@H](CCCC)Oc1[nH]c(=S)nnc1C ZINC001227599847 777857627 /nfs/dbraw/zinc/85/76/27/777857627.db2.gz AXFLFQQORLGDRT-SNVBAGLBSA-N 0 1 253.371 2.982 20 30 CFEDMN CC#CCN1CCCC[C@H](NC(=O)[C@@H]2CCC(C)(C)C2)C1 ZINC001034391531 780959457 /nfs/dbraw/zinc/95/94/57/780959457.db2.gz XTXKFFHSLICPIC-CVEARBPZSA-N 0 1 290.451 2.807 20 30 CFEDMN C=CCN1CC[C@H](N(C)C(=O)C(C)(C)c2ccccc2)C1 ZINC001033648568 780743048 /nfs/dbraw/zinc/74/30/48/780743048.db2.gz QIESLEKZTJHPDM-INIZCTEOSA-N 0 1 286.419 2.683 20 30 CFEDMN C=CCN1CC[C@@H](N(CC)C(=O)c2oc(CC)cc2C)C1 ZINC001034012299 780855345 /nfs/dbraw/zinc/85/53/45/780855345.db2.gz FDGNVGDGOHSINE-CQSZACIVSA-N 0 1 290.407 2.873 20 30 CFEDMN CC#CCN1CC[C@@H](N(CC)C(=O)[C@H]2CC23CCCC3)C1 ZINC001034019263 780855855 /nfs/dbraw/zinc/85/58/55/780855855.db2.gz TWDPVDDASSAVSA-HZPDHXFCSA-N 0 1 288.435 2.513 20 30 CFEDMN C=C(C)CN(CC)c1nc(Cl)nc2[nH]c(C)nc21 ZINC001167050222 769846505 /nfs/dbraw/zinc/84/65/05/769846505.db2.gz XRIMUNKFOSDCIS-UHFFFAOYSA-N 0 1 265.748 2.717 20 30 CFEDMN C=CCOC(=O)N[C@H]1CCCN(C[C@H](C)C(F)(F)F)C1 ZINC001208897323 769957547 /nfs/dbraw/zinc/95/75/47/769957547.db2.gz DQRJCTVDJZFHMM-QWRGUYRKSA-N 0 1 294.317 2.561 20 30 CFEDMN C=CC(C)(C)C(=O)N1CC[C@@]2(CCN(C/C=C\Cl)C2)C1 ZINC001041538711 769958226 /nfs/dbraw/zinc/95/82/26/769958226.db2.gz BRNBNWQISMHHJQ-KQQSKNTNSA-N 0 1 296.842 2.876 20 30 CFEDMN N#Cc1ccc(CCN2CCC(=O)[C@@H]3CCCC[C@H]32)cc1 ZINC001208921078 769966171 /nfs/dbraw/zinc/96/61/71/769966171.db2.gz XNCPMVASGXGICH-IAGOWNOFSA-N 0 1 282.387 2.934 20 30 CFEDMN C=C/C(C)=C\CC(=O)N1CCC[C@@H](NCC(=C)Cl)C1 ZINC001209053931 769988767 /nfs/dbraw/zinc/98/87/67/769988767.db2.gz XYZIBBPQBLYLOC-YRBHFNIASA-N 0 1 282.815 2.842 20 30 CFEDMN CC#CCN(C)[C@H](C)CNC(=O)C12CC(C(C)(C)C)(C1)C2 ZINC001282505364 769997755 /nfs/dbraw/zinc/99/77/55/769997755.db2.gz XRZQCCSHVVVPNA-RWBZWWBESA-N 0 1 290.451 2.663 20 30 CFEDMN C=CCCCCN1CC(C)(NC(=O)OC(C)(C)C)C1 ZINC001209204707 770013186 /nfs/dbraw/zinc/01/31/86/770013186.db2.gz IIBBKPDPWKRSPX-UHFFFAOYSA-N 0 1 268.401 2.942 20 30 CFEDMN CC#CCN(CC)CCNC(=O)c1oc(C(F)F)cc1C ZINC001266396328 770077119 /nfs/dbraw/zinc/07/71/19/770077119.db2.gz DZPQLELYVKPZNH-UHFFFAOYSA-N 0 1 298.333 2.601 20 30 CFEDMN N#Cc1ccccc1CN1CC[C@H](OCCCCF)C1 ZINC001209988759 770185230 /nfs/dbraw/zinc/18/52/30/770185230.db2.gz XZFBFBIZLFERQH-INIZCTEOSA-N 0 1 276.355 2.899 20 30 CFEDMN C#CCN1CCC[C@@H]1CNC(=O)C/C=C\c1ccc(C)cc1 ZINC001266497177 770210537 /nfs/dbraw/zinc/21/05/37/770210537.db2.gz BTFIKIBRLQVMHG-WLPBJKJWSA-N 0 1 296.414 2.612 20 30 CFEDMN C=C[C@](C)(CC)C(=O)NC[C@H]1CCN(C/C=C\Cl)C1 ZINC001266534788 770288042 /nfs/dbraw/zinc/28/80/42/770288042.db2.gz YFOIDALHFWUCHE-VEXXYJEVSA-N 0 1 284.831 2.779 20 30 CFEDMN COc1ccc2nc(N)n(-c3ccc(C#N)c(C)c3)c2c1 ZINC001210802913 770375721 /nfs/dbraw/zinc/37/57/21/770375721.db2.gz KXYLUXCXZURRRJ-UHFFFAOYSA-N 0 1 278.315 2.796 20 30 CFEDMN CC#CCN(CCNC(=O)C1C[C@@H](C)C[C@H](C)C1)C1CC1 ZINC001266621527 770452231 /nfs/dbraw/zinc/45/22/31/770452231.db2.gz DTMAEVZQJUKJRI-GJZGRUSLSA-N 0 1 290.451 2.663 20 30 CFEDMN O=C(/C=C\c1cc(F)c(O)c(F)c1)c1ccncc1 ZINC000588386408 770471136 /nfs/dbraw/zinc/47/11/36/770471136.db2.gz NWUAIPZZZSHRLU-UPHRSURJSA-N 0 1 261.227 2.962 20 30 CFEDMN C=CCN1CC[C@H]2CC[C@@H](C1)N2C(=O)c1ccc(Cl)o1 ZINC001039331558 770500261 /nfs/dbraw/zinc/50/02/61/770500261.db2.gz SURVTPHCIZHDEK-NEPJUHHUSA-N 0 1 294.782 2.798 20 30 CFEDMN N#C[C@@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1C(=O)[O-] ZINC001140503806 770781110 /nfs/dbraw/zinc/78/11/10/770781110.db2.gz NPNTXFCWCJXKNB-DEZZGGKRSA-N 0 1 270.332 2.651 20 30 CFEDMN N#Cc1ccc(O)c(NC(=O)/C=C\c2cccc(O)c2)c1 ZINC000588537095 770952196 /nfs/dbraw/zinc/95/21/96/770952196.db2.gz QIPMGYQYPWSKTD-ALCCZGGFSA-N 0 1 280.283 2.621 20 30 CFEDMN N#Cc1ccc(Cl)c(CN2CCC[C@@H](CCO)C2)c1 ZINC001140602879 773200252 /nfs/dbraw/zinc/20/02/52/773200252.db2.gz RZPMLHBNHJVWKW-LBPRGKRZSA-N 0 1 278.783 2.806 20 30 CFEDMN Cc1cc(N(C)C)ncc1NCc1ccccc1C#N ZINC001167635758 773203719 /nfs/dbraw/zinc/20/37/19/773203719.db2.gz QMINJMBKGOJIAR-UHFFFAOYSA-N 0 1 266.348 2.940 20 30 CFEDMN C=C(C)CCN1CC[C@@H]1CNC(=O)c1oc(C)cc1C ZINC001038142393 775108504 /nfs/dbraw/zinc/10/85/04/775108504.db2.gz ZNESRCWVKUBUNX-CQSZACIVSA-N 0 1 276.380 2.667 20 30 CFEDMN C#CCN(CC)CCNC(=O)c1c(Cl)cccc1Cl ZINC001267255515 775108560 /nfs/dbraw/zinc/10/85/60/775108560.db2.gz JLLJRFCRVZJOQJ-UHFFFAOYSA-N 0 1 299.201 2.678 20 30 CFEDMN C=CC(C)(C)CC(=O)NC[C@@H]1CCCN1C[C@H](F)CC ZINC001267267953 775125362 /nfs/dbraw/zinc/12/53/62/775125362.db2.gz USLOOIWTQHUSBT-KGLIPLIRSA-N 0 1 284.419 2.917 20 30 CFEDMN C#CCN1CCC[C@@H]1CNC(=O)CCC1CCCCCC1 ZINC001267277251 775142760 /nfs/dbraw/zinc/14/27/60/775142760.db2.gz VESVLBBOIJFDFT-QGZVFWFLSA-N 0 1 290.451 2.951 20 30 CFEDMN CCCCC(=O)NC[C@@H]1CCN(CC#Cc2ccccc2)C1 ZINC001267289902 775158917 /nfs/dbraw/zinc/15/89/17/775158917.db2.gz VBJXUPUMEFXQPO-SFHVURJKSA-N 0 1 298.430 2.666 20 30 CFEDMN C=C1O[C@@H](CC)C(=O)C1OCCc1ccsc1 ZINC001224535872 775213757 /nfs/dbraw/zinc/21/37/57/775213757.db2.gz SWTCFKGZGOWCPY-NSHDSACASA-N 0 1 252.335 2.917 20 30 CFEDMN C=CCC[N@@H+]1CC[C@H]1CNC(=O)C1(c2ccccc2C)CC1 ZINC001276985868 775229650 /nfs/dbraw/zinc/22/96/50/775229650.db2.gz KMKNMHVIOSOECK-INIZCTEOSA-N 0 1 298.430 2.793 20 30 CFEDMN C#CCCCCC(=O)N(C)CCNCC=C(Cl)Cl ZINC001267365452 775254637 /nfs/dbraw/zinc/25/46/37/775254637.db2.gz YEIPVSCWCIBLDO-UHFFFAOYSA-N 0 1 291.222 2.547 20 30 CFEDMN C#CCN[C@H](CNC(=O)C[C@H]1C=CCCC1)c1ccccc1 ZINC001267521622 775418080 /nfs/dbraw/zinc/41/80/80/775418080.db2.gz UQRDMFOKYQJDFG-FUHWJXTLSA-N 0 1 296.414 2.813 20 30 CFEDMN C=C1O[C@@H](C)C(=O)C1Oc1cc(Cl)ccc1C(=O)OC ZINC001225382144 775436849 /nfs/dbraw/zinc/43/68/49/775436849.db2.gz GILGTKNRCAMSDT-ZETCQYMHSA-N 0 1 296.706 2.725 20 30 CFEDMN C=CCN1CC[C@H](N(CCC)C(=O)C2CC3(CC3)C2)C1 ZINC001267546030 775455481 /nfs/dbraw/zinc/45/54/81/775455481.db2.gz HJBBFKIHMMANFK-HNNXBMFYSA-N 0 1 276.424 2.676 20 30 CFEDMN C=C1O[C@H](C)C(=O)C1Oc1ccc(C(F)(F)F)nc1 ZINC001225505855 775486281 /nfs/dbraw/zinc/48/62/81/775486281.db2.gz WJKZGBFIJANUND-ZCFIWIBFSA-N 0 1 273.210 2.699 20 30 CFEDMN CC#CC[N@@H+]1CCC[C@@H]1[C@H]1CCCCN1C(=O)/C(C)=C/C ZINC001025215738 775571764 /nfs/dbraw/zinc/57/17/64/775571764.db2.gz CGKNHZOFQSBNCR-KZIQZQBPSA-N 0 1 288.435 2.821 20 30 CFEDMN C=C(Cl)CN1CCC[C@H]([C@H](C)NC(=O)C2CCC2)C1 ZINC001025316762 775597587 /nfs/dbraw/zinc/59/75/87/775597587.db2.gz LRXUVKGVFUTMDQ-JSGCOSHPSA-N 0 1 284.831 2.756 20 30 CFEDMN C=C(Cl)CN1CCC[C@@H]([C@@H](C)NC(=O)C2CCC2)C1 ZINC001025316764 775597858 /nfs/dbraw/zinc/59/78/58/775597858.db2.gz LRXUVKGVFUTMDQ-TZMCWYRMSA-N 0 1 284.831 2.756 20 30 CFEDMN C=C1O[C@@H](C)C(=O)C1Oc1ccc(C(C)=O)c(F)c1 ZINC001225965301 775650190 /nfs/dbraw/zinc/65/01/90/775650190.db2.gz AVLBJUFPFLAHOA-QMMMGPOBSA-N 0 1 264.252 2.626 20 30 CFEDMN C=CCN1CCC[C@@H](NC(=O)CCO[C@@H](C)CC(C)C)C1 ZINC001267614131 775677294 /nfs/dbraw/zinc/67/72/94/775677294.db2.gz BUCYLRRBIXVRGC-JKSUJKDBSA-N 0 1 296.455 2.594 20 30 CFEDMN C=CCN1CCC[C@@H](NC(=O)[C@@H](C)CCCC)C1 ZINC001267615016 775678257 /nfs/dbraw/zinc/67/82/57/775678257.db2.gz YWKRGAMCWWUADQ-UONOGXRCSA-N 0 1 252.402 2.579 20 30 CFEDMN C=CCN1CC(CNC(=O)CCCC2CCCCC2)C1 ZINC001267698300 775787944 /nfs/dbraw/zinc/78/79/44/775787944.db2.gz CZOTYNBHFWFCDR-UHFFFAOYSA-N 0 1 278.440 2.971 20 30 CFEDMN CCC#C[C@H](C)Oc1[nH]c(=O)nc2ccc(F)cc21 ZINC001226410093 775811113 /nfs/dbraw/zinc/81/11/13/775811113.db2.gz ZCPXXZVVEPTFEH-VIFPVBQESA-N 0 1 260.268 2.655 20 30 CFEDMN CC(C)(C)c1ccc(C#N)c(O[C@@H]2CN3CCC2CC3)n1 ZINC001226547326 775868463 /nfs/dbraw/zinc/86/84/63/775868463.db2.gz SJUZWQLWDHJXFJ-CQSZACIVSA-N 0 1 285.391 2.724 20 30 CFEDMN CN1CCC[C@H](Oc2nc(C(C)(C)C)ccc2C#N)C1 ZINC001226546713 775869037 /nfs/dbraw/zinc/86/90/37/775869037.db2.gz NWXPANAQOVGYDS-ZDUSSCGKSA-N 0 1 273.380 2.724 20 30 CFEDMN C#CCN1CC[C@H](N(C)C(=O)CCCCC(C)(C)C)C1 ZINC001267764741 775896413 /nfs/dbraw/zinc/89/64/13/775896413.db2.gz YLUPCLRKSMKBAE-HNNXBMFYSA-N 0 1 278.440 2.759 20 30 CFEDMN N#Cc1ccc(OCCCN2CCC[C@H](F)C2)cc1 ZINC000689880251 775908537 /nfs/dbraw/zinc/90/85/37/775908537.db2.gz DOQYQEWIOGISBU-AWEZNQCLSA-N 0 1 262.328 2.761 20 30 CFEDMN C#CCN1CC[C@@H](N(CC)C(=O)CCC2CCCC2)C1 ZINC001267780799 775924144 /nfs/dbraw/zinc/92/41/44/775924144.db2.gz VMNQOCRLGOZVLU-MRXNPFEDSA-N 0 1 276.424 2.513 20 30 CFEDMN C=C[C@@H](CCC)Oc1nc[nH]c(=O)c1Br ZINC001226723604 775937746 /nfs/dbraw/zinc/93/77/46/775937746.db2.gz YKXMSZITVAIHKZ-ZETCQYMHSA-N 0 1 273.130 2.678 20 30 CFEDMN C=CCCN1CC[C@@H]1CNC(=O)c1ccc2nc(C)oc2c1 ZINC001038366918 775940635 /nfs/dbraw/zinc/94/06/35/775940635.db2.gz MYIHJPUQXKCUGZ-CQSZACIVSA-N 0 1 299.374 2.516 20 30 CFEDMN N#CC[C@@H](Oc1nc2[nH]cnc2c(=S)[nH]1)c1ccccc1 ZINC001226786309 775963671 /nfs/dbraw/zinc/96/36/71/775963671.db2.gz PGQZSRCJYXJBHU-SNVBAGLBSA-N 0 1 297.343 2.675 20 30 CFEDMN C=CCN1CC[C@@H]2CN(C(=O)C3(CCC)CCC3)[C@@H]2C1 ZINC001221750804 775974358 /nfs/dbraw/zinc/97/43/58/775974358.db2.gz VAFWWVNMOAZDSS-HUUCEWRRSA-N 0 1 276.424 2.676 20 30 CFEDMN C=C[C@H](CCC)Oc1n[nH]c(=O)cc1Br ZINC001226850828 775989907 /nfs/dbraw/zinc/98/99/07/775989907.db2.gz WZAVIYXIFOUNNF-SSDOTTSWSA-N 0 1 273.130 2.678 20 30 CFEDMN C#C[C@@H]1CCC[C@@H]1Oc1[nH]c(=O)nc2ccccc21 ZINC001226977872 776043803 /nfs/dbraw/zinc/04/38/03/776043803.db2.gz VNUFLXAJGJKRBM-MFKMUULPSA-N 0 1 254.289 2.516 20 30 CFEDMN C=C(Cl)CN[C@@H]1CN(C(=O)CCCCC)C[C@@H]1C ZINC001281373923 776074308 /nfs/dbraw/zinc/07/43/08/776074308.db2.gz LOPJQCBQQMQBQO-WCQYABFASA-N 0 1 272.820 2.756 20 30 CFEDMN C=C[C@H](CCC)Oc1[nH]c(=O)nc2ccc([N+](=O)[O-])cc21 ZINC001227095470 776093076 /nfs/dbraw/zinc/09/30/76/776093076.db2.gz JOXLNFGNETWUMJ-SNVBAGLBSA-N 0 1 289.291 2.977 20 30 CFEDMN CC[C@H](C#Cc1ccccc1)Oc1[nH]c(=O)nc2[nH]ccc21 ZINC001227274106 776167955 /nfs/dbraw/zinc/16/79/55/776167955.db2.gz LNJZYEXYICVCDG-CYBMUJFWSA-N 0 1 293.326 2.873 20 30 CFEDMN C#CC[C@H](CC)Oc1[nH]c(=O)nc2ccc(C)cc21 ZINC001227348551 776181282 /nfs/dbraw/zinc/18/12/82/776181282.db2.gz ZFIKZQAVJGJIKP-NSHDSACASA-N 0 1 256.305 2.825 20 30 CFEDMN Cc1nc2ccc(F)cn2c1Nc1ccc(N)c(C#N)c1 ZINC001213434140 776219939 /nfs/dbraw/zinc/21/99/39/776219939.db2.gz XUEYNNDBAXBUSZ-UHFFFAOYSA-N 0 1 281.294 2.979 20 30 CFEDMN C=C(C)[C@@H]1CC[C@@H](C)C[C@H]1Oc1nc(=O)[nH]c2c1COC2 ZINC001227686688 776257517 /nfs/dbraw/zinc/25/75/17/776257517.db2.gz UWWPHURYZOJURZ-UHIISALHSA-N 0 1 290.363 2.972 20 30 CFEDMN C=C[C@H](CCC)Oc1nc(=O)[nH]c2c1CO[C@@H]2C ZINC001227715814 776268502 /nfs/dbraw/zinc/26/85/02/776268502.db2.gz HAHGAAUXUMMMHY-RKDXNWHRSA-N 0 1 250.298 2.507 20 30 CFEDMN C#CCC1(C(=O)NC2CCN(C/C=C\Cl)CC2)CCC1 ZINC001227762433 776284973 /nfs/dbraw/zinc/28/49/73/776284973.db2.gz FULWDUOCVHAYAL-WMZJFQQLSA-N 0 1 294.826 2.513 20 30 CFEDMN C=CC[C@H](Oc1c[nH]c(C(=O)OC)cc1=O)c1ccccc1 ZINC001227785534 776288755 /nfs/dbraw/zinc/28/87/55/776288755.db2.gz IBOAUOMIZPRLQX-HNNXBMFYSA-N 0 1 299.326 2.858 20 30 CFEDMN C=CCc1ccc(O[C@H]2CCC[N@@H+](C)C2)c(OC)c1 ZINC001227926748 776331931 /nfs/dbraw/zinc/33/19/31/776331931.db2.gz KFVGHQGPNJNBQG-AWEZNQCLSA-N 0 1 261.365 2.897 20 30 CFEDMN N#Cc1cnc2cc(NCc3ccc4c(c3)CCO4)c[nH]c1-2 ZINC001167782438 776338384 /nfs/dbraw/zinc/33/83/84/776338384.db2.gz VCSIMVPBADNRJL-UHFFFAOYSA-N 0 1 290.326 2.982 20 30 CFEDMN C#CC[N@H+](C)[C@@H]1CCCN(C(=O)C2(C3CCC3)CCC2)C1 ZINC001027509500 776340789 /nfs/dbraw/zinc/34/07/89/776340789.db2.gz CHVUZMKNBYOZGO-MRXNPFEDSA-N 0 1 288.435 2.513 20 30 CFEDMN N#Cc1cccc(C2(N[C@@H]3CCCc4n[nH]cc43)CC2)c1 ZINC000335942823 776352965 /nfs/dbraw/zinc/35/29/65/776352965.db2.gz LWNJKPCKBCGZRN-OAHLLOKOSA-N 0 1 278.359 2.938 20 30 CFEDMN C[NH+](C)[C@H]1CC[C@H](Oc2cc([O-])ccc2C#N)CC1 ZINC001228006427 776359804 /nfs/dbraw/zinc/35/98/04/776359804.db2.gz AWXBPUOLFFOTJN-MQMHXKEQSA-N 0 1 260.337 2.515 20 30 CFEDMN CCCCCCNC(=O)C(C#N)C(=O)CSC(C)(C)C ZINC000125682069 776416267 /nfs/dbraw/zinc/41/62/67/776416267.db2.gz FBETYHNXUAFZEQ-GFCCVEGCSA-N 0 1 298.452 2.923 20 30 CFEDMN C=C(C)C[N@H+]1CCC[C@@H]1CNC(=O)C1C(C)(C)C1(C)C ZINC001027811510 776459587 /nfs/dbraw/zinc/45/95/87/776459587.db2.gz IMDAKQBDYAIINZ-CYBMUJFWSA-N 0 1 278.440 2.825 20 30 CFEDMN C=CC[C@H](Oc1nc(O)cc(=O)[nH]1)c1ccccc1 ZINC001228388293 776479400 /nfs/dbraw/zinc/47/94/00/776479400.db2.gz GZXDLILBTQPYDW-NSHDSACASA-N 0 1 258.277 2.584 20 30 CFEDMN CC#CCN1CCC[C@H]1CNC(=O)c1csc(C)c1C ZINC001027906188 776503946 /nfs/dbraw/zinc/50/39/46/776503946.db2.gz KVKVIIAEVCBKGG-AWEZNQCLSA-N 0 1 290.432 2.582 20 30 CFEDMN N#C[C@H](Oc1nc(Cl)nc2nc[nH]c21)c1ccccc1 ZINC001228510029 776509352 /nfs/dbraw/zinc/50/93/52/776509352.db2.gz SMXSUNKEJATZRY-VIFPVBQESA-N 0 1 285.694 2.650 20 30 CFEDMN C=C(C)C[N@H+]1CCC[C@@H]1CNC(=O)c1nc(C)sc1C ZINC001027962136 776530262 /nfs/dbraw/zinc/53/02/62/776530262.db2.gz MHPCJYTYQFKDOJ-CYBMUJFWSA-N 0 1 293.436 2.530 20 30 CFEDMN C=CCC(CC=C)Oc1nc(C2CC2)[nH]c(=O)c1[N+](=O)[O-] ZINC001228605406 776537439 /nfs/dbraw/zinc/53/74/39/776537439.db2.gz GGVYVKIRXGIGIB-UHFFFAOYSA-N 0 1 291.307 2.867 20 30 CFEDMN C=CCN1CCC[C@@H]1CNC(=O)c1cc(C)sc1C ZINC001028008631 776553333 /nfs/dbraw/zinc/55/33/33/776553333.db2.gz CHSOWUAXORWVMK-CYBMUJFWSA-N 0 1 278.421 2.745 20 30 CFEDMN C#CCN1CCC[C@@H]1CNC(=O)c1csc2ccccc12 ZINC001028058012 776576235 /nfs/dbraw/zinc/57/62/35/776576235.db2.gz UOULHSOWEBPPEP-CYBMUJFWSA-N 0 1 298.411 2.729 20 30 CFEDMN C=C(C)C[C@H](C)C(=O)NC1CCN(C[C@@H](F)CC)CC1 ZINC001228800809 776618117 /nfs/dbraw/zinc/61/81/17/776618117.db2.gz FWKBIFBQGXTNIB-KBPBESRZSA-N 0 1 284.419 2.917 20 30 CFEDMN CCC(=O)Nc1cc(N[C@H]2CC[C@H](C#N)CC2)ccn1 ZINC001167847560 776632785 /nfs/dbraw/zinc/63/27/85/776632785.db2.gz MALUAMHFHHLLSZ-HAQNSBGRSA-N 0 1 272.352 2.924 20 30 CFEDMN C=CCCCC(=O)NC1CCN(CCC(F)(F)F)CC1 ZINC001228928142 776660923 /nfs/dbraw/zinc/66/09/23/776660923.db2.gz WMADCHNQJCLPIX-UHFFFAOYSA-N 0 1 292.345 2.876 20 30 CFEDMN C=C1O[C@@H](C)C(=O)C1O[C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC001223429497 776666439 /nfs/dbraw/zinc/66/64/39/776666439.db2.gz LGPGLLNUWSMXET-IUCAKERBSA-N 0 1 277.276 2.892 20 30 CFEDMN C=CCN1CCC[C@@H]1CNC(=O)c1cc(F)cc(Cl)c1 ZINC001028159123 776668973 /nfs/dbraw/zinc/66/89/73/776668973.db2.gz AAPUVNKFWNTXOT-CQSZACIVSA-N 0 1 296.773 2.859 20 30 CFEDMN C=CCN1CCC[C@H]1CNC(=O)c1ccc(C)cc1F ZINC001028158178 776669050 /nfs/dbraw/zinc/66/90/50/776669050.db2.gz YJNQANNAVBTGMZ-ZDUSSCGKSA-N 0 1 276.355 2.514 20 30 CFEDMN C=C(C)CN1CCC[C@@H]1CNC(=O)c1cc(C(C)C)no1 ZINC001028180102 776681963 /nfs/dbraw/zinc/68/19/63/776681963.db2.gz WCEFAXDGMTYNIZ-CYBMUJFWSA-N 0 1 291.395 2.568 20 30 CFEDMN C=CCN1CCC[C@H]1CNC(=O)c1csc(C(C)C)n1 ZINC001028205112 776707848 /nfs/dbraw/zinc/70/78/48/776707848.db2.gz HETBJFJTPRLFBL-LBPRGKRZSA-N 0 1 293.436 2.647 20 30 CFEDMN C=CCn1cc(CN2CCc3c(C)cccc3C2)cn1 ZINC001139766825 776724233 /nfs/dbraw/zinc/72/42/33/776724233.db2.gz WHZXMGJAPXWPHY-UHFFFAOYSA-N 0 1 267.376 2.936 20 30 CFEDMN CC#CC[C@@H](CC)Oc1[nH]c(=O)nc2cc(OC)ccc21 ZINC001229136509 776728518 /nfs/dbraw/zinc/72/85/18/776728518.db2.gz CFJMLUDZLHEZHV-LLVKDONJSA-N 0 1 286.331 2.915 20 30 CFEDMN N#Cc1ccc(Cl)c(O[C@H]2CN3CCC2CC3)c1 ZINC001229248163 776764368 /nfs/dbraw/zinc/76/43/68/776764368.db2.gz KIMMHKINQKZPMI-AWEZNQCLSA-N 0 1 262.740 2.685 20 30 CFEDMN C#C[C@H](CCC)Oc1[nH]c(=O)nc2c(C)cccc12 ZINC001229407820 776803080 /nfs/dbraw/zinc/80/30/80/776803080.db2.gz PTIGFQIGWOFARH-LLVKDONJSA-N 0 1 256.305 2.825 20 30 CFEDMN CC#CCN1CCC[C@@H]1CNC(=O)c1ccc(C)c(C)c1 ZINC001028296934 776841884 /nfs/dbraw/zinc/84/18/84/776841884.db2.gz DJUWGAVFYZBRPS-QGZVFWFLSA-N 0 1 284.403 2.521 20 30 CFEDMN CC#CCN1CCC[C@H]1CNC(=O)c1ccc(C)c(C)c1 ZINC001028296933 776842266 /nfs/dbraw/zinc/84/22/66/776842266.db2.gz DJUWGAVFYZBRPS-KRWDZBQOSA-N 0 1 284.403 2.521 20 30 CFEDMN C=CCN1CCC[C@H]1CNC(=O)c1cc2ccccc2o1 ZINC001028301006 776846151 /nfs/dbraw/zinc/84/61/51/776846151.db2.gz MAGSLIOHCXBWIT-AWEZNQCLSA-N 0 1 284.359 2.813 20 30 CFEDMN C#CCCCC(=O)NCCN[C@@H](C)c1ccc(F)cc1F ZINC001126355648 776855915 /nfs/dbraw/zinc/85/59/15/776855915.db2.gz DUUXWEVENZKOBI-LBPRGKRZSA-N 0 1 294.345 2.535 20 30 CFEDMN CC#CCN1CCC[C@H]1CNC(=O)[C@@H]1CCCCC1(C)C ZINC001028339741 776862190 /nfs/dbraw/zinc/86/21/90/776862190.db2.gz BPVSKVHCRNZXPP-HOTGVXAUSA-N 0 1 290.451 2.807 20 30 CFEDMN CC#CCN1CCC[C@@H]1CNC(=O)[C@H]1CCCC(C)(C)C1 ZINC001028339890 776862280 /nfs/dbraw/zinc/86/22/80/776862280.db2.gz FPYNOLKMPBFQKA-JKSUJKDBSA-N 0 1 290.451 2.807 20 30 CFEDMN C=CCC[C@H](C)N1CC(NC(=O)[C@@H](C)c2ccccc2)C1 ZINC001268475198 776864420 /nfs/dbraw/zinc/86/44/20/776864420.db2.gz YXORDEVJUXWLKC-GJZGRUSLSA-N 0 1 286.419 2.945 20 30 CFEDMN C=CCC[C@@H](C)N1CC(NC(=O)C[C@H](C)n2cccc2)C1 ZINC001268475192 776864649 /nfs/dbraw/zinc/86/46/49/776864649.db2.gz YWHVAKNTDXMGSB-CABCVRRESA-N 0 1 289.423 2.594 20 30 CFEDMN C=C(Cl)CNCCN(CC)C(=O)c1cnoc1C(C)C ZINC001268487858 776886706 /nfs/dbraw/zinc/88/67/06/776886706.db2.gz LHXZMVVBVNFBFQ-UHFFFAOYSA-N 0 1 299.802 2.602 20 30 CFEDMN C=C(Cl)CNC/C=C\CNC(=O)C[C@@H]1CC=CCC1 ZINC001268576042 776952107 /nfs/dbraw/zinc/95/21/07/776952107.db2.gz TXMKFCSIGYRSTK-GEXIGZQTSA-N 0 1 282.815 2.747 20 30 CFEDMN C=C(Cl)CNC/C=C\CNC(=O)C(C)(C)CCC ZINC001268585892 776961594 /nfs/dbraw/zinc/96/15/94/776961594.db2.gz RUBRFAYXESIBQZ-SREVYHEPSA-N 0 1 272.820 2.827 20 30 CFEDMN C=CCCCC(=O)N[C@H](C)CNCc1c(F)cccc1F ZINC001268659864 777012540 /nfs/dbraw/zinc/01/25/40/777012540.db2.gz IXQICSGIWIJHPU-GFCCVEGCSA-N 0 1 296.361 2.915 20 30 CFEDMN C=CCCCCCN1CC[C@@H]1CN(C)C(=O)C(F)F ZINC001230578449 777018437 /nfs/dbraw/zinc/01/84/37/777018437.db2.gz KQYYVEZSDCBARM-GFCCVEGCSA-N 0 1 274.355 2.531 20 30 CFEDMN C=CCN1CC[C@H]1CN(C)C(=O)CCC1CCCC1 ZINC001230671962 777041038 /nfs/dbraw/zinc/04/10/38/777041038.db2.gz ZURNKCYUQAAISX-HNNXBMFYSA-N 0 1 264.413 2.676 20 30 CFEDMN C=CCCCCC[N@@H+]1CC[C@@H]1CN(C)C(=O)CSC ZINC001230714986 777049627 /nfs/dbraw/zinc/04/96/27/777049627.db2.gz NPWAAKCEZWNQJJ-CQSZACIVSA-N 0 1 284.469 2.629 20 30 CFEDMN C=CCN1CC(CNC(=O)C[C@@H](C)c2cccc(F)c2)C1 ZINC001268879417 777069106 /nfs/dbraw/zinc/06/91/06/777069106.db2.gz PZRPZSPUZUMMLH-CYBMUJFWSA-N 0 1 290.382 2.553 20 30 CFEDMN C=C[C@]1(C)CC[C@H](Oc2nncc3n[nH]cc32)C(C)(C)O1 ZINC001230901773 777088449 /nfs/dbraw/zinc/08/84/49/777088449.db2.gz UETAMWMMMSBYMP-SWLSCSKDSA-N 0 1 288.351 2.634 20 30 CFEDMN C=CCN1CC[C@H](NC(=O)C(CCC)CCC)C1 ZINC001269056712 777093552 /nfs/dbraw/zinc/09/35/52/777093552.db2.gz IYHPPKHFTKRNQE-AWEZNQCLSA-N 0 1 252.402 2.579 20 30 CFEDMN C=C1O[C@H](CC)C(=O)C1Oc1cccc(C(=O)OC)c1F ZINC001230975878 777106539 /nfs/dbraw/zinc/10/65/39/777106539.db2.gz UREZPVMRNVCLGW-SNVBAGLBSA-N 0 1 294.278 2.601 20 30 CFEDMN C=C1O[C@H](C)C(=O)C1Oc1ccc(Cl)c(OC)c1 ZINC001230981376 777109462 /nfs/dbraw/zinc/10/94/62/777109462.db2.gz NUSVJKITUHLLQV-SSDOTTSWSA-N 0 1 268.696 2.947 20 30 CFEDMN C=CCCCN1CC[C@@H]1CN(C)C(=O)c1cnc(C)s1 ZINC001231069425 777131922 /nfs/dbraw/zinc/13/19/22/777131922.db2.gz DGGHPEQQNOLYKX-CYBMUJFWSA-N 0 1 293.436 2.564 20 30 CFEDMN CCCCCCCN1CC[C@H]1CNC(=O)c1ccsn1 ZINC001269254516 777150977 /nfs/dbraw/zinc/15/09/77/777150977.db2.gz AYYAEOCWNOAJDD-ZDUSSCGKSA-N 0 1 295.452 2.918 20 30 CFEDMN C=CCC(C)(C)C(=O)NC[C@H](CC)NCc1conc1C ZINC001269477380 777196087 /nfs/dbraw/zinc/19/60/87/777196087.db2.gz NFVCYIXJJSULJW-AWEZNQCLSA-N 0 1 293.411 2.570 20 30 CFEDMN C=CC[C@@H](C)Oc1[nH]c(=O)nc2c(OC)cccc12 ZINC001231348074 777198756 /nfs/dbraw/zinc/19/87/56/777198756.db2.gz CLHYYKXFDXPHCZ-SECBINFHSA-N 0 1 260.293 2.687 20 30 CFEDMN N#Cc1cc(F)cc(CN2CCC[C@@H](CF)C2)c1 ZINC000711416935 777202067 /nfs/dbraw/zinc/20/20/67/777202067.db2.gz AONBCWPKISGARD-NSHDSACASA-N 0 1 250.292 2.879 20 30 CFEDMN C=CCCCN1CC(N(C)C(=O)[C@@H]2C[C@H]2C(C)(C)C)C1 ZINC001269820770 777253748 /nfs/dbraw/zinc/25/37/48/777253748.db2.gz QKRVDXUHFUBRIR-HUUCEWRRSA-N 0 1 278.440 2.777 20 30 CFEDMN C=C(C)CCN1CC(N(C)C(=O)C[C@H](C)c2ccco2)C1 ZINC001269876664 777264190 /nfs/dbraw/zinc/26/41/90/777264190.db2.gz WBPDECNHRGADNX-AWEZNQCLSA-N 0 1 290.407 2.882 20 30 CFEDMN OCC1CN(Cc2ccccc2C#Cc2ccccc2)C1 ZINC001231578679 777264432 /nfs/dbraw/zinc/26/44/32/777264432.db2.gz QOQKYJYTRGYRED-UHFFFAOYSA-N 0 1 277.367 2.511 20 30 CFEDMN N#C[C@H]1CCN(Cc2c(O)ccc3ccccc32)C1 ZINC001231589349 777268109 /nfs/dbraw/zinc/26/81/09/777268109.db2.gz CPSOWJRDIKLGIC-GFCCVEGCSA-N 0 1 252.317 2.891 20 30 CFEDMN CCCOC1CCN(Cc2ccc(C#N)cc2OC)CC1 ZINC001231618282 777279718 /nfs/dbraw/zinc/27/97/18/777279718.db2.gz DSNYZPNWIRCTRA-UHFFFAOYSA-N 0 1 288.391 2.958 20 30 CFEDMN COc1cc(C#N)ccc1CN1[C@@H]2CC[C@H]1C[C@H](C#N)C2 ZINC001231619443 777279835 /nfs/dbraw/zinc/27/98/35/777279835.db2.gz BBHYNVJIQJQGMB-MKZZRHPPSA-N 0 1 281.359 2.833 20 30 CFEDMN COc1cc(C#N)ccc1CN1CC[C@H]2CCCO[C@@H]2C1 ZINC001231616766 777279863 /nfs/dbraw/zinc/27/98/63/777279863.db2.gz KJASOZQIDVEKCO-RHSMWYFYSA-N 0 1 286.375 2.568 20 30 CFEDMN COc1cc(C#N)ccc1CN1CCC[C@H](C#N)CC1 ZINC001231619988 777279967 /nfs/dbraw/zinc/27/99/67/777279967.db2.gz NOVWNNLABXNSQZ-ZDUSSCGKSA-N 0 1 269.348 2.693 20 30 CFEDMN CCc1ccc(CN2[C@@H]3CC[C@H]2C[C@H](C#N)C3)nc1 ZINC001231642431 777290934 /nfs/dbraw/zinc/29/09/34/777290934.db2.gz YFTBZCVFPRHARM-MKZZRHPPSA-N 0 1 255.365 2.911 20 30 CFEDMN C#Cc1cccc(CN2CC[C@](O)(C(F)(F)F)[C@H](C)C2)c1 ZINC001231655843 777293704 /nfs/dbraw/zinc/29/37/04/777293704.db2.gz BZORXOKPYYVIJX-IUODEOHRSA-N 0 1 297.320 2.803 20 30 CFEDMN C#Cc1cccc(CN2CCC(O)(C(F)(F)F)CC2)c1 ZINC001231657951 777295448 /nfs/dbraw/zinc/29/54/48/777295448.db2.gz PBKUCKUQKMCWNG-UHFFFAOYSA-N 0 1 283.293 2.557 20 30 CFEDMN C#Cc1cccc(CN2CCCC[C@@](O)(C(F)(F)F)C2)c1 ZINC001231657866 777296710 /nfs/dbraw/zinc/29/67/10/777296710.db2.gz NSAZQWISRJPDFE-HNNXBMFYSA-N 0 1 297.320 2.947 20 30 CFEDMN C=C1O[C@@H](C)C(=O)C1Oc1cnc(Cl)c(C)c1 ZINC001225826337 777300896 /nfs/dbraw/zinc/30/08/96/777300896.db2.gz YLCYHVMMOBMTQP-ZETCQYMHSA-N 0 1 253.685 2.642 20 30 CFEDMN COc1cc(N(C)C)ccc1C[N@H+]1CCC[C@@H](CC#N)C1 ZINC001231853428 777352421 /nfs/dbraw/zinc/35/24/21/777352421.db2.gz KGEFRQDTAILUGD-AWEZNQCLSA-N 0 1 287.407 2.887 20 30 CFEDMN COc1cc(N(C)C)ccc1CN1CCC[C@@H](CC#N)C1 ZINC001231853428 777352426 /nfs/dbraw/zinc/35/24/26/777352426.db2.gz KGEFRQDTAILUGD-AWEZNQCLSA-N 0 1 287.407 2.887 20 30 CFEDMN N#C[C@@H]1CCCN(Cc2cccc3c2OCCO3)CC1 ZINC001231885875 777367028 /nfs/dbraw/zinc/36/70/28/777367028.db2.gz RKYLQBFENPEXJU-CYBMUJFWSA-N 0 1 272.348 2.583 20 30 CFEDMN N#C[C@@H]1CCCN(Cc2cc3ccncc3[nH]2)CC1 ZINC001232094163 777438589 /nfs/dbraw/zinc/43/85/89/777438589.db2.gz LBTRLVMWQUZLJV-GFCCVEGCSA-N 0 1 254.337 2.689 20 30 CFEDMN N#Cc1ccc(CN2CCCC[C@H](O)C2)cc1Cl ZINC001232111187 777442869 /nfs/dbraw/zinc/44/28/69/777442869.db2.gz BFOWUEGPKVKRBO-ZDUSSCGKSA-N 0 1 264.756 2.558 20 30 CFEDMN COC[C@H]1CCCN1Cc1ccc(C#N)c(Cl)c1 ZINC001232112386 777442982 /nfs/dbraw/zinc/44/29/82/777442982.db2.gz UWGPWCWUQJZPPN-CYBMUJFWSA-N 0 1 264.756 2.822 20 30 CFEDMN CCOc1ncc(CN2CCC(CC#N)CC2)cc1C ZINC001232306452 777513819 /nfs/dbraw/zinc/51/38/19/777513819.db2.gz XTMCRABOKWSQBO-UHFFFAOYSA-N 0 1 273.380 2.914 20 30 CFEDMN C=CCC[C@@H](C)N1CC(N(C)C(=O)C(C)(C)CC)C1 ZINC001277652191 777533127 /nfs/dbraw/zinc/53/31/27/777533127.db2.gz ONUZDWSKOYPYGX-CYBMUJFWSA-N 0 1 266.429 2.920 20 30 CFEDMN C=CCCCN1CC(N(C)C(=O)[C@@]23C[C@@H]2CCCC3)C1 ZINC001277659506 777546131 /nfs/dbraw/zinc/54/61/31/777546131.db2.gz HUWXEMNJCOSOAE-YOEHRIQHSA-N 0 1 276.424 2.676 20 30 CFEDMN C[C@H](C#N)C(=O)N1C[C@H]2CC[C@@H](C1)N2[C@@H](C)c1ccccc1 ZINC001029242971 777549785 /nfs/dbraw/zinc/54/97/85/777549785.db2.gz PSXRTORQQFHVNZ-WTTBNOFXSA-N 0 1 297.402 2.582 20 30 CFEDMN N#Cc1ccnc(CN2CCC3(CC(F)C3)CC2)c1 ZINC001232477515 777574364 /nfs/dbraw/zinc/57/43/64/777574364.db2.gz MIWFPMXJAOAONI-UHFFFAOYSA-N 0 1 259.328 2.667 20 30 CFEDMN C=C(Cl)CNC[C@H](C)N(C)C(=O)C[C@@H](C)CC ZINC001270948211 777611741 /nfs/dbraw/zinc/61/17/41/777611741.db2.gz QHLLYPXEGPOFCX-JQWIXIFHSA-N 0 1 260.809 2.612 20 30 CFEDMN COc1ccc(CNCc2cc(C)ccn2)cc1C#N ZINC000328187397 777619028 /nfs/dbraw/zinc/61/90/28/777619028.db2.gz PBKHRNLLRFDRAV-UHFFFAOYSA-N 0 1 267.332 2.560 20 30 CFEDMN N#Cc1ccc([O-])c(C[N@H+]2CCc3cccc(O)c3C2)c1 ZINC001232677534 777638214 /nfs/dbraw/zinc/63/82/14/777638214.db2.gz FTCYSOFERUOUQT-UHFFFAOYSA-N 0 1 280.327 2.528 20 30 CFEDMN COc1cccc2c1C[N@@H+](Cc1cc(C#N)ccc1[O-])CC2 ZINC001232674360 777638683 /nfs/dbraw/zinc/63/86/83/777638683.db2.gz YAGZPVGKAFEKNP-UHFFFAOYSA-N 0 1 294.354 2.831 20 30 CFEDMN C=CCN1CCC(F)(F)[C@@H](CNC(=O)C(CC)CC)C1 ZINC001271086377 777646385 /nfs/dbraw/zinc/64/63/85/777646385.db2.gz LTKFUGJHHSYKID-ZDUSSCGKSA-N 0 1 288.382 2.682 20 30 CFEDMN C#CCN1CC[C@H](NC(=O)[C@@H]2C[C@H]2CC(C)(C)C)[C@H]1CC ZINC001087578244 777661855 /nfs/dbraw/zinc/66/18/55/777661855.db2.gz JZVWXYYTYZZINI-XUWVNRHRSA-N 0 1 290.451 2.661 20 30 CFEDMN C=CCN1CC[C@H](NC(=O)c2cc3cnccc3o2)[C@H]1CC ZINC001087642391 777670511 /nfs/dbraw/zinc/67/05/11/777670511.db2.gz MQKAPZRJHLZXNT-UONOGXRCSA-N 0 1 299.374 2.597 20 30 CFEDMN C[C@]1(CO)CCC[N@@H+](Cc2ccc(C#N)s2)CC1 ZINC001232842202 777690449 /nfs/dbraw/zinc/69/04/49/777690449.db2.gz NZIFGKLCGDQPES-AWEZNQCLSA-N 0 1 264.394 2.604 20 30 CFEDMN N#Cc1ccc(CN2CC[C@H]3CCCO[C@H]3C2)s1 ZINC001232844490 777691806 /nfs/dbraw/zinc/69/18/06/777691806.db2.gz RCQNQZPESWVGQE-RISCZKNCSA-N 0 1 262.378 2.621 20 30 CFEDMN CC[N@H+]1CCN(Cc2ccc(C#N)s2)C(C)(C)C1 ZINC001232845087 777692239 /nfs/dbraw/zinc/69/22/39/777692239.db2.gz MYBMSCMRCAEJOI-UHFFFAOYSA-N 0 1 263.410 2.536 20 30 CFEDMN CCN1CCN(Cc2ccc(C#N)s2)C(C)(C)C1 ZINC001232845087 777692242 /nfs/dbraw/zinc/69/22/42/777692242.db2.gz MYBMSCMRCAEJOI-UHFFFAOYSA-N 0 1 263.410 2.536 20 30 CFEDMN C=CCN1CC[C@H](NC(=O)c2ncoc2C(C)C)[C@H]1CC ZINC001087786954 777698332 /nfs/dbraw/zinc/69/83/32/777698332.db2.gz ASRXSCIUFMWOJB-QWHCGFSZSA-N 0 1 291.395 2.567 20 30 CFEDMN C[C@H]1CCN(Cc2cc(F)ccc2C#N)CC[C@]1(C)O ZINC001232889002 777709316 /nfs/dbraw/zinc/70/93/16/777709316.db2.gz YQMZHFLMVSXYQA-LRDDRELGSA-N 0 1 276.355 2.680 20 30 CFEDMN CCN(Cc1cccc(OC)c1)Cc1cccc(C#N)n1 ZINC001232925805 777721246 /nfs/dbraw/zinc/72/12/46/777721246.db2.gz QQCVDMKUIPCLBW-UHFFFAOYSA-N 0 1 281.359 2.984 20 30 CFEDMN COC(=O)[C@@]1(C)CCCN(Cc2ccc(C)cc2C#N)C1 ZINC001232967380 777743623 /nfs/dbraw/zinc/74/36/23/777743623.db2.gz KGIDVPBSQKJZFY-KRWDZBQOSA-N 0 1 286.375 2.642 20 30 CFEDMN Cc1ccc(CN2CCC[C@]23CCOC3)c(C#N)c1 ZINC001232967828 777745146 /nfs/dbraw/zinc/74/51/46/777745146.db2.gz XWBWKVTUPUHWIT-MRXNPFEDSA-N 0 1 256.349 2.622 20 30 CFEDMN Cc1cc(C#N)ccc1CN1CCc2cc(CO)ccc2C1 ZINC001233080478 777791072 /nfs/dbraw/zinc/79/10/72/777791072.db2.gz MWYUXTLJRNCTTG-UHFFFAOYSA-N 0 1 292.382 2.917 20 30 CFEDMN C[C@H]1CCN(Cc2ccc(N(C)C)c(C#N)c2F)C1 ZINC001233098664 777795657 /nfs/dbraw/zinc/79/56/57/777795657.db2.gz KRZUEPMEBQFWFL-NSHDSACASA-N 0 1 261.344 2.605 20 30 CFEDMN N#C[C@@H]1C[C@H]2CC[C@@H](C1)N2Cc1[nH]nc2cc(F)ccc21 ZINC001233123073 777801538 /nfs/dbraw/zinc/80/15/38/777801538.db2.gz HLHHZROMLMUOHV-UOJUARBOSA-N 0 1 284.338 2.969 20 30 CFEDMN N#Cc1ccc(CN2CCC([NH+]3CCCCC3)CC2)c([O-])c1 ZINC001233383275 777925458 /nfs/dbraw/zinc/92/54/58/777925458.db2.gz CMFXZCZXSOAOPI-UHFFFAOYSA-N 0 1 299.418 2.714 20 30 CFEDMN COCC[C@@H]1CCCC[N@H+]1Cc1ccc(C#N)cc1[O-] ZINC001233386040 777926726 /nfs/dbraw/zinc/92/67/26/777926726.db2.gz DACNKVGCRVBMJH-HNNXBMFYSA-N 0 1 274.364 2.655 20 30 CFEDMN N#Cc1ccc(C[N@H+]2CCC[C@H]2c2ccccn2)c([O-])c1 ZINC001233386218 777926819 /nfs/dbraw/zinc/92/68/19/777926819.db2.gz KJZZXEOKEVHKGD-INIZCTEOSA-N 0 1 279.343 2.996 20 30 CFEDMN C[C@@H]1C[N@@H+](Cc2ccc(C#N)cc2[O-])CCC1(F)F ZINC001233383895 777927096 /nfs/dbraw/zinc/92/70/96/777927096.db2.gz ZWMXJOKOAMORHS-SNVBAGLBSA-N 0 1 266.291 2.741 20 30 CFEDMN N#Cc1ccc(CN2CCCC[C@H]2C[NH+]2CCCC2)c([O-])c1 ZINC001233386021 777928077 /nfs/dbraw/zinc/92/80/77/777928077.db2.gz BUMSGTMQHTYSHF-KRWDZBQOSA-N 0 1 299.418 2.714 20 30 CFEDMN C=C1O[C@H](C)C(=O)C1Oc1ccc(F)c(OC)c1F ZINC001227889635 777952679 /nfs/dbraw/zinc/95/26/79/777952679.db2.gz KRJLMKVWHFNQNL-ZCFIWIBFSA-N 0 1 270.231 2.572 20 30 CFEDMN N#C[C@H]1CN(Cc2ccc3nc(Cl)ccc3c2)CCC1=O ZINC001233445301 777954519 /nfs/dbraw/zinc/95/45/19/777954519.db2.gz ZGPWDLKVJXXSOW-ZDUSSCGKSA-N 0 1 299.761 2.803 20 30 CFEDMN C[C@H](Oc1n[nH]c(=O)cc1Cl)c1ccccc1C#N ZINC001233589506 778000460 /nfs/dbraw/zinc/00/04/60/778000460.db2.gz JWQZVSCUVXSXPB-QMMMGPOBSA-N 0 1 275.695 2.847 20 30 CFEDMN N#CCc1cccc(NS(=O)(=O)c2ccsc2)c1 ZINC000714360494 778006982 /nfs/dbraw/zinc/00/69/82/778006982.db2.gz VFFGREXBHHPYHA-UHFFFAOYSA-N 0 1 278.358 2.615 20 30 CFEDMN C=CCN1CCN(Cc2cc(C)c(C)s2)CC1 ZINC001233684328 778038659 /nfs/dbraw/zinc/03/86/59/778038659.db2.gz HRVRFRVLKDDYTD-UHFFFAOYSA-N 0 1 250.411 2.669 20 30 CFEDMN C=C1O[C@@H](CC)C(=O)C1Oc1nnc(Cl)cc1OCC ZINC001233684538 778039936 /nfs/dbraw/zinc/03/99/36/778039936.db2.gz BOYYNOORWSVHNW-QMMMGPOBSA-N 0 1 298.726 2.517 20 30 CFEDMN C=C(C)CN1CC[C@H](NC(=O)c2sccc2C)[C@H]1C ZINC001088446837 778097771 /nfs/dbraw/zinc/09/77/71/778097771.db2.gz CMUSBLCUAQPZQG-OLZOCXBDSA-N 0 1 278.421 2.825 20 30 CFEDMN C=CC[C@@H](C)Oc1nc2cccc(C(=O)OC)c2[nH]1 ZINC001234039532 778149570 /nfs/dbraw/zinc/14/95/70/778149570.db2.gz PHRORBLYJNXWJX-SECBINFHSA-N 0 1 260.293 2.693 20 30 CFEDMN C#CC[C@H](CC)Oc1nc2cccc(C(=O)OC)c2[n-]1 ZINC001234044426 778150767 /nfs/dbraw/zinc/15/07/67/778150767.db2.gz JZJWCMHCSCRNGD-JTQLQIEISA-N 0 1 272.304 2.530 20 30 CFEDMN C#CC[C@H](CC)Oc1nc2cccc(C(=O)OC)c2[nH]1 ZINC001234044426 778150774 /nfs/dbraw/zinc/15/07/74/778150774.db2.gz JZJWCMHCSCRNGD-JTQLQIEISA-N 0 1 272.304 2.530 20 30 CFEDMN CC#CC[C@@H](CC)Oc1nc2cccc(C(=O)OC)c2[nH]1 ZINC001234045248 778152098 /nfs/dbraw/zinc/15/20/98/778152098.db2.gz SIOGSGJLBYASRX-LLVKDONJSA-N 0 1 286.331 2.920 20 30 CFEDMN C=C(C)CN1CC[C@@H]1CN(C)C(=O)CC(C)(C)C1CC1 ZINC001234098606 778165843 /nfs/dbraw/zinc/16/58/43/778165843.db2.gz DWAVGFGEOOSSME-OAHLLOKOSA-N 0 1 278.440 2.922 20 30 CFEDMN C=C(C)CCC(=O)N(C)C[C@@H](C)NCc1ncc(C)s1 ZINC001277834689 778172964 /nfs/dbraw/zinc/17/29/64/778172964.db2.gz FVQNXGXWJLHPIN-GFCCVEGCSA-N 0 1 295.452 2.744 20 30 CFEDMN C=CC[N@@H+]1CC[C@@H]1CN(C)C(=O)CCO[C@H](C)CC(C)C ZINC001234255314 778194109 /nfs/dbraw/zinc/19/41/09/778194109.db2.gz LMXNDXUZMGJEDV-HZPDHXFCSA-N 0 1 296.455 2.546 20 30 CFEDMN C=CCN1CC[C@@H]1CN(C)C(=O)CCO[C@H](C)CC(C)C ZINC001234255314 778194112 /nfs/dbraw/zinc/19/41/12/778194112.db2.gz LMXNDXUZMGJEDV-HZPDHXFCSA-N 0 1 296.455 2.546 20 30 CFEDMN COc1cc(/C=C\C(C)=O)ccc1O[C@H]1CCC[N@@H+](C)C1 ZINC001234336135 778210878 /nfs/dbraw/zinc/21/08/78/778210878.db2.gz PDNSKAMYVMJXJW-XHPSBEMXSA-N 0 1 289.375 2.770 20 30 CFEDMN COc1cc(/C=C/C(C)=O)ccc1O[C@@H]1CCC[N@@H+](C)C1 ZINC001234336134 778210940 /nfs/dbraw/zinc/21/09/40/778210940.db2.gz PDNSKAMYVMJXJW-LQYUOIDQSA-N 0 1 289.375 2.770 20 30 CFEDMN C=C(C)CN1CC[C@@H]1CN(C)C(=O)[C@@]1(C)CC=CCC1 ZINC001234525347 778244069 /nfs/dbraw/zinc/24/40/69/778244069.db2.gz BDTNYSMRTRUVPC-WBVHZDCISA-N 0 1 276.424 2.842 20 30 CFEDMN C=CC(C)(C)CC(=O)N(C)C[C@H]1CCN1CC(=C)C ZINC001234537359 778247267 /nfs/dbraw/zinc/24/72/67/778247267.db2.gz NEHOJNFULFJGRJ-CQSZACIVSA-N 0 1 264.413 2.698 20 30 CFEDMN C=C[C@@H](CCC)Oc1nc(C)[nH]c(=O)c1Br ZINC001234567571 778253425 /nfs/dbraw/zinc/25/34/25/778253425.db2.gz HXSVFPFZEFUNDE-QMMMGPOBSA-N 0 1 287.157 2.987 20 30 CFEDMN C=C(C)CCC(=O)N(C)C[C@H]1CCN1CCOCC(C)C ZINC001234614173 778266142 /nfs/dbraw/zinc/26/61/42/778266142.db2.gz NYIKQFAAVQRVGN-MRXNPFEDSA-N 0 1 296.455 2.548 20 30 CFEDMN C=C[C@H](CCCC)Oc1nc(F)nc2nc[nH]c21 ZINC001234690365 778289116 /nfs/dbraw/zinc/28/91/16/778289116.db2.gz AHEMNLNXWWNQNY-MRVPVSSYSA-N 0 1 250.277 2.616 20 30 CFEDMN C#C[C@H](Oc1ccccc1C=NO)c1ccncc1 ZINC001234819053 778301881 /nfs/dbraw/zinc/30/18/81/778301881.db2.gz GQROAIVTJPXICN-AWEZNQCLSA-N 0 1 252.273 2.643 20 30 CFEDMN CC(C)c1c(C#N)cccc1O[C@@H]1C[C@@H]2CC(=O)C[C@H]1N2C ZINC001234855426 778312220 /nfs/dbraw/zinc/31/22/20/778312220.db2.gz AMMSPCUSLUEZPU-YSVLISHTSA-N 0 1 298.386 2.865 20 30 CFEDMN C=C(C)C(=O)N1C[C@@H](C)N(Cc2ccccc2)C[C@@H]1C ZINC001142508156 778394983 /nfs/dbraw/zinc/39/49/83/778394983.db2.gz KAPDDGMCWNEJLI-CABCVRRESA-N 0 1 272.392 2.684 20 30 CFEDMN C#CCN1CC[C@H](NC(=O)Cc2cccc(C(C)C)c2)[C@H]1C ZINC001088704214 778445418 /nfs/dbraw/zinc/44/54/18/778445418.db2.gz LBMWIZGIWCSJEN-QAPCUYQASA-N 0 1 298.430 2.565 20 30 CFEDMN C[C@@H](C#N)N(C)Cc1cc(F)cc(Br)c1O ZINC001235306297 778451914 /nfs/dbraw/zinc/45/19/14/778451914.db2.gz SSNQWWHQGCYDRU-ZETCQYMHSA-N 0 1 287.132 2.638 20 30 CFEDMN CC#CCN1CC[C@H](NC(=O)c2cc(C)sc2C)[C@H]1C ZINC001088714442 778452651 /nfs/dbraw/zinc/45/26/51/778452651.db2.gz IYWATTBHYQZZAH-DOMZBBRYSA-N 0 1 290.432 2.581 20 30 CFEDMN C=CCCC(=O)NCCCN(C)Cc1ccc(C#N)s1 ZINC001235437224 778490812 /nfs/dbraw/zinc/49/08/12/778490812.db2.gz WNLRPOXQPROHDI-UHFFFAOYSA-N 0 1 291.420 2.524 20 30 CFEDMN C=CCC(C)(C)C(=O)N(C)C[C@H](C)NCc1cnc(C)o1 ZINC001277953841 778518537 /nfs/dbraw/zinc/51/85/37/778518537.db2.gz HCTXUARZPJAGOL-LBPRGKRZSA-N 0 1 293.411 2.522 20 30 CFEDMN C[C@H](NCCNC(=O)C#CC(C)(C)C)c1ccccc1F ZINC001126907083 778538140 /nfs/dbraw/zinc/53/81/40/778538140.db2.gz FULZZSWIHHYRLU-ZDUSSCGKSA-N 0 1 290.382 2.642 20 30 CFEDMN N#C[C@@H]1CCCCN1Cc1nc2ccc(F)cc2[nH]1 ZINC001235697589 778542589 /nfs/dbraw/zinc/54/25/89/778542589.db2.gz RFKNQXBLOOBBOK-NSHDSACASA-N 0 1 258.300 2.580 20 30 CFEDMN C[C@@H](CC(=O)Nc1cccc(Cl)c1)NCCC#N ZINC000346749893 778586563 /nfs/dbraw/zinc/58/65/63/778586563.db2.gz WPLHQAFCJVBCHY-JTQLQIEISA-N 0 1 265.744 2.560 20 30 CFEDMN C=CCN1C[C@@H]2CCN(C(=O)c3ccoc3CCC)[C@@H]2C1 ZINC001076459074 778590275 /nfs/dbraw/zinc/59/02/75/778590275.db2.gz YKGUIGURIBYHHN-DZGCQCFKSA-N 0 1 288.391 2.564 20 30 CFEDMN C#CCN1C[C@@H]2CCN(C(=O)c3ccc(C(C)C)cc3)[C@@H]2C1 ZINC001076492544 778593359 /nfs/dbraw/zinc/59/33/59/778593359.db2.gz SOOAXBDYKNXCHG-ZWKOTPCHSA-N 0 1 296.414 2.590 20 30 CFEDMN CCOc1ccccc1NC(=O)C(C#N)C(=O)CC(C)C ZINC000128903849 778636520 /nfs/dbraw/zinc/63/65/20/778636520.db2.gz LSENILQGXXSHQO-LBPRGKRZSA-N 0 1 288.347 2.779 20 30 CFEDMN CS(=O)(=O)c1ccc(-c2ccccc2C=NO)cc1F ZINC001236121324 778702100 /nfs/dbraw/zinc/70/21/00/778702100.db2.gz LMJVHERXFUJEKZ-UHFFFAOYSA-N 0 1 293.319 2.704 20 30 CFEDMN C#CCN1CC(C)(C)CC[C@@H]1CNC(=O)/C=C/C(C)(C)C ZINC001098976612 778868234 /nfs/dbraw/zinc/86/82/34/778868234.db2.gz WIJXZFPCTILXHM-BOLDSZDNSA-N 0 1 290.451 2.829 20 30 CFEDMN COc1ccc(C#N)cc1-c1cncc2[nH]c(C)nc21 ZINC001236547615 778874480 /nfs/dbraw/zinc/87/44/80/778874480.db2.gz YLAYMGSXVNNVNW-UHFFFAOYSA-N 0 1 264.288 2.814 20 30 CFEDMN COc1ccc(C#N)cc1-c1c[nH]cc2nc(C)nc1-2 ZINC001236547615 778874483 /nfs/dbraw/zinc/87/44/83/778874483.db2.gz YLAYMGSXVNNVNW-UHFFFAOYSA-N 0 1 264.288 2.814 20 30 CFEDMN C#CC[N@H+](C)Cc1ccc(OCC)c(Br)c1 ZINC001236668202 778908396 /nfs/dbraw/zinc/90/83/96/778908396.db2.gz VXJMVJAXUUYYEY-UHFFFAOYSA-N 0 1 282.181 2.913 20 30 CFEDMN C#CCN(C)Cc1ccc(OCC)c(Br)c1 ZINC001236668202 778908403 /nfs/dbraw/zinc/90/84/03/778908403.db2.gz VXJMVJAXUUYYEY-UHFFFAOYSA-N 0 1 282.181 2.913 20 30 CFEDMN C=CCN1CC(C)(C)CC[C@@H]1CNC(=O)[C@H](CC)SC ZINC001099022866 778921042 /nfs/dbraw/zinc/92/10/42/778921042.db2.gz JNHBSXIRYSPTLF-KGLIPLIRSA-N 0 1 298.496 2.921 20 30 CFEDMN C=CCN1CC[C@H](NC(=O)c2ccc(C)cc2F)[C@H]1C ZINC001088880027 778932696 /nfs/dbraw/zinc/93/26/96/778932696.db2.gz RGVBYKRBJJBYRI-DOMZBBRYSA-N 0 1 276.355 2.513 20 30 CFEDMN C[C@]1(F)CC[N@@H+](Cc2cc(C#N)ccc2[O-])C[C@H]1F ZINC001232673774 778961665 /nfs/dbraw/zinc/96/16/65/778961665.db2.gz NAMYITXJQCNLIG-KGLIPLIRSA-N 0 1 266.291 2.536 20 30 CFEDMN N#C[C@@H]1CN(Cc2nc3ccccc3cc2Cl)CCC1=O ZINC001236880680 778971208 /nfs/dbraw/zinc/97/12/08/778971208.db2.gz MBNFQGBSUXUPPQ-GFCCVEGCSA-N 0 1 299.761 2.803 20 30 CFEDMN C=C(C)C[N@@H+]1CC[C@H](NC(=O)Cc2ccccc2C)[C@H]1C ZINC001089030513 778978915 /nfs/dbraw/zinc/97/89/15/778978915.db2.gz INWJIJYILVJXFX-WBVHZDCISA-N 0 1 286.419 2.693 20 30 CFEDMN C=C(C)CN1CC[C@H](NC(=O)c2scnc2Cl)[C@H]1C ZINC001089043322 778979928 /nfs/dbraw/zinc/97/99/28/778979928.db2.gz WKJJBQFVDRBBQU-ZJUUUORDSA-N 0 1 299.827 2.565 20 30 CFEDMN C=CCN1CC[C@H](NC(=O)c2ccoc2C(C)C)[C@H]1C ZINC001089067873 778985514 /nfs/dbraw/zinc/98/55/14/778985514.db2.gz AEOUHEPAGRYXDH-OCCSQVGLSA-N 0 1 276.380 2.782 20 30 CFEDMN C=CCC[C@@H]1CCCN1C(=O)CCSc1nnc(C)[nH]1 ZINC001120814057 778985681 /nfs/dbraw/zinc/98/56/81/778985681.db2.gz UXYFEPHJPCHQCK-GFCCVEGCSA-N 0 1 294.424 2.553 20 30 CFEDMN N#CC[C@@H](Oc1n[nH]c(=O)cc1Cl)c1ccccc1 ZINC001233586419 779056313 /nfs/dbraw/zinc/05/63/13/779056313.db2.gz FVBZMMOJCNJMAJ-LLVKDONJSA-N 0 1 275.695 2.869 20 30 CFEDMN C#CCN1CCN(Cc2cccc(C(C)C)c2)CC1 ZINC001237460967 779112861 /nfs/dbraw/zinc/11/28/61/779112861.db2.gz CIFQLJZSHFFKBP-UHFFFAOYSA-N 0 1 256.393 2.561 20 30 CFEDMN C[C@@H]1CN(Cc2cn(C)c3ccc(C#N)cc23)C[C@@H]1F ZINC001237463535 779114003 /nfs/dbraw/zinc/11/40/03/779114003.db2.gz AXVIJZCZAJEDPW-ABAIWWIYSA-N 0 1 271.339 2.840 20 30 CFEDMN CN(C)c1ccc(CN(C)Cc2ccnc(C#N)c2)cc1 ZINC001237468956 779115184 /nfs/dbraw/zinc/11/51/84/779115184.db2.gz NVORJYHIKWYJJT-UHFFFAOYSA-N 0 1 280.375 2.651 20 30 CFEDMN N#Cc1ccc(O)c(NC(=O)CC[C@H]2CCCCO2)c1 ZINC000176393410 779122237 /nfs/dbraw/zinc/12/22/37/779122237.db2.gz BOPSPRQLDPFOCH-GFCCVEGCSA-N 0 1 274.320 2.552 20 30 CFEDMN Cc1noc(C)c1[C@@H](C)C(=O)Nc1cc(C#N)ccc1O ZINC000176400429 779123754 /nfs/dbraw/zinc/12/37/54/779123754.db2.gz UKKKDUCXUVBXAN-MRVPVSSYSA-N 0 1 285.303 2.611 20 30 CFEDMN N#Cc1ccc(O)c(NC(=O)c2ccc(Cl)o2)c1 ZINC000176399620 779123802 /nfs/dbraw/zinc/12/38/02/779123802.db2.gz TVWRFMCXXBXLHP-UHFFFAOYSA-N 0 1 262.652 2.763 20 30 CFEDMN C[C@@H]1CCN(Cc2cc(C#N)c(F)cc2F)CC[C@@]1(C)O ZINC001237524905 779126985 /nfs/dbraw/zinc/12/69/85/779126985.db2.gz NTAAGBHCJMOCOQ-BDJLRTHQSA-N 0 1 294.345 2.819 20 30 CFEDMN COCCN(Cc1cc(C#N)c(F)cc1F)C(C)C ZINC001237525396 779127158 /nfs/dbraw/zinc/12/71/58/779127158.db2.gz FDJVNSXHPIVIEJ-UHFFFAOYSA-N 0 1 268.307 2.693 20 30 CFEDMN CN(Cc1ccn2nccc2c1)Cc1cccc(C#N)c1 ZINC001237543994 779130800 /nfs/dbraw/zinc/13/08/00/779130800.db2.gz CYYBRWSDXBOCHY-UHFFFAOYSA-N 0 1 276.343 2.838 20 30 CFEDMN N#C[C@@H]1CN(Cc2cccc(-c3ccccc3)n2)CCC1=O ZINC001237547687 779131380 /nfs/dbraw/zinc/13/13/80/779131380.db2.gz WCHBLRRWDJGLCV-OAHLLOKOSA-N 0 1 291.354 2.663 20 30 CFEDMN CC[C@@H]1CCCCN1Cc1cn2cc(C#N)ccc2n1 ZINC001237606809 779140673 /nfs/dbraw/zinc/14/06/73/779140673.db2.gz OPDYTSQSHQKAFH-OAHLLOKOSA-N 0 1 268.364 2.970 20 30 CFEDMN N#Cc1ccc2nc(CN3CCC[C@@H](F)CC3)cn2c1 ZINC001237609383 779141650 /nfs/dbraw/zinc/14/16/50/779141650.db2.gz QKRHLQQYIPJPDG-CYBMUJFWSA-N 0 1 272.327 2.530 20 30 CFEDMN COCC[C@H]1CCCCN1Cc1cn2cc(C#N)ccc2n1 ZINC001237615159 779142637 /nfs/dbraw/zinc/14/26/37/779142637.db2.gz UHDKBJIVOHMGSG-MRXNPFEDSA-N 0 1 298.390 2.597 20 30 CFEDMN C=C(C)CN1CC[C@]2(CCCN2CCC(F)(F)F)C1=O ZINC001272502663 779149602 /nfs/dbraw/zinc/14/96/02/779149602.db2.gz RXRBJVLYDIZNJW-CYBMUJFWSA-N 0 1 290.329 2.582 20 30 CFEDMN C#C[C@H]1CCCN(Cc2cc(C3CC3)cnc2OC)C1 ZINC001238027431 779237462 /nfs/dbraw/zinc/23/74/62/779237462.db2.gz AXBVFSQZJOXXDU-ZDUSSCGKSA-N 0 1 270.376 2.813 20 30 CFEDMN C[C@@H]1CCN(Cc2ccc(C#N)cc2Cl)C[C@@]1(C)O ZINC001238081923 779249219 /nfs/dbraw/zinc/24/92/19/779249219.db2.gz CQXYQVFJAGZLSF-IAQYHMDHSA-N 0 1 278.783 2.804 20 30 CFEDMN CCN(CCn1ccnc1)Cc1ccc(C#N)cc1Cl ZINC001238084316 779249801 /nfs/dbraw/zinc/24/98/01/779249801.db2.gz GPKGHLFGFVUFEC-UHFFFAOYSA-N 0 1 288.782 2.930 20 30 CFEDMN C[C@@H]1CCN(Cc2ccc(Cl)c(C#N)c2)CC[C@@H]1O ZINC001238189679 779274859 /nfs/dbraw/zinc/27/48/59/779274859.db2.gz VRDHIEDXYJURGP-ABAIWWIYSA-N 0 1 278.783 2.804 20 30 CFEDMN COC[C@H]1CCN(Cc2ccc(Cl)c(C#N)c2)C1 ZINC001238189849 779275121 /nfs/dbraw/zinc/27/51/21/779275121.db2.gz XTXGIJULFRYJKO-LBPRGKRZSA-N 0 1 264.756 2.680 20 30 CFEDMN Cn1c(Cl)cnc1C(C#N)C(=O)[C@@]1(C)C=CCC1 ZINC001123233209 779362379 /nfs/dbraw/zinc/36/23/79/779362379.db2.gz GKMGYDWRPATICU-ZANVPECISA-N 0 1 263.728 2.606 20 30 CFEDMN CCc1cc(CN2CCC[C@@H](n3ccnn3)C2)ccc1C#N ZINC001238773349 779387885 /nfs/dbraw/zinc/38/78/85/779387885.db2.gz VMXAKKFDUKEVLW-QGZVFWFLSA-N 0 1 295.390 2.549 20 30 CFEDMN CCc1cc(CN2CCC(C(C)=O)CC2)ccc1C#N ZINC001238779597 779390654 /nfs/dbraw/zinc/39/06/54/779390654.db2.gz WWSTWEHLXSUGCI-UHFFFAOYSA-N 0 1 270.376 2.922 20 30 CFEDMN C=C(C)CCN1CC(NC(=O)Cc2ccc(C)c(C)c2)C1 ZINC001031357244 779437671 /nfs/dbraw/zinc/43/76/71/779437671.db2.gz JCJFQLAYTHZRKG-UHFFFAOYSA-N 0 1 286.419 2.613 20 30 CFEDMN C=C(C)c1cccc(C(C)(C)NC(=O)N2CCN[C@H]3C[C@H]32)c1 ZINC001239281179 779500528 /nfs/dbraw/zinc/50/05/28/779500528.db2.gz PDGCSVLTZXFMBI-JKSUJKDBSA-N 0 1 299.418 2.711 20 30 CFEDMN C#CCN1CC(C)(C)CC[C@H]1CNC(=O)C[C@@H](C)C1CC1 ZINC001099358392 779515962 /nfs/dbraw/zinc/51/59/62/779515962.db2.gz GKTYGTSGZDWJAF-ZBFHGGJFSA-N 0 1 290.451 2.663 20 30 CFEDMN C=C(C)CN1CC(CNC(=O)c2ccc([C@H]3C[C@H]3C)o2)C1 ZINC001031665258 779522654 /nfs/dbraw/zinc/52/26/54/779522654.db2.gz XIDFCQUCSBSJTK-OCCSQVGLSA-N 0 1 288.391 2.641 20 30 CFEDMN CCCCCCCOC(=O)N1CCNC[C@@H]1CC ZINC001239333925 779523828 /nfs/dbraw/zinc/52/38/28/779523828.db2.gz JNVGOIRPJNYNEA-ZDUSSCGKSA-N 0 1 256.390 2.777 20 30 CFEDMN C=CCN1CC(CNC(=O)c2cc(C(F)F)ccc2F)C1 ZINC001031672366 779524640 /nfs/dbraw/zinc/52/46/40/779524640.db2.gz DWNXMYZRBWUKIS-UHFFFAOYSA-N 0 1 298.308 2.611 20 30 CFEDMN C=CCN1CC(CNC(=O)c2coc3ccc(CC)cc23)C1 ZINC001031674923 779525328 /nfs/dbraw/zinc/52/53/28/779525328.db2.gz WCFBTCQFWXBAJP-UHFFFAOYSA-N 0 1 298.386 2.843 20 30 CFEDMN C#CCN1CC(C)(C)CC[C@H]1CNC(=O)C1C=CC=CC=C1 ZINC001089648167 779553279 /nfs/dbraw/zinc/55/32/79/779553279.db2.gz HJVOPSDVCWQWMD-KRWDZBQOSA-N 0 1 298.430 2.525 20 30 CFEDMN CCCCCCCCCNC(=S)N1CCNC[C@@H]1C ZINC001239432622 779563837 /nfs/dbraw/zinc/56/38/37/779563837.db2.gz DYAHEKFZSZMQAT-AWEZNQCLSA-N 0 1 285.501 2.905 20 30 CFEDMN CCCCCCCNC(=S)N1CCNC[C@H]1CCC ZINC001239445024 779570626 /nfs/dbraw/zinc/57/06/26/779570626.db2.gz FVDJFVFGTWLXLI-CQSZACIVSA-N 0 1 285.501 2.905 20 30 CFEDMN COc1ncc(-c2ccc(/C=N/O)c(F)c2)cc1F ZINC001239517841 779601832 /nfs/dbraw/zinc/60/18/32/779601832.db2.gz COXSKSMIEJMPMP-REZTVBANSA-N 0 1 264.231 2.844 20 30 CFEDMN C=CCN1CC(CNC(=O)c2cc3ccccc3cc2F)C1 ZINC001031839907 779637572 /nfs/dbraw/zinc/63/75/72/779637572.db2.gz UWXYLKJMJFZVHV-UHFFFAOYSA-N 0 1 298.361 2.827 20 30 CFEDMN C=CCN1CC(CNC(=O)[C@H]2CCC[C@@H]2c2ccccc2)C1 ZINC001031836815 779637611 /nfs/dbraw/zinc/63/76/11/779637611.db2.gz RGFVVBIHUZNBJK-MSOLQXFVSA-N 0 1 298.430 2.804 20 30 CFEDMN C=C1CCC(C(=O)NCC2CN(CC=C(C)C)C2)CC1 ZINC001031950057 779681523 /nfs/dbraw/zinc/68/15/23/779681523.db2.gz RINKVMBOJGTHKH-UHFFFAOYSA-N 0 1 276.424 2.747 20 30 CFEDMN C=C(C)CN1CC(CNC(=O)C2[C@@H]3CCCCCC[C@@H]23)C1 ZINC001032005275 779706212 /nfs/dbraw/zinc/70/62/12/779706212.db2.gz GZSYWAGRQXIKBB-HZPDHXFCSA-N 0 1 290.451 2.827 20 30 CFEDMN C=C(C)CN1CC(CNC(=O)[C@@H]2C[C@H]2c2ccccc2C)C1 ZINC001032045760 779721679 /nfs/dbraw/zinc/72/16/79/779721679.db2.gz JTPDBDJBBPUOKF-ZWKOTPCHSA-N 0 1 298.430 2.723 20 30 CFEDMN C=C(C)CN1CC(CNC(=O)c2csc(C(C)C)n2)C1 ZINC001032053083 779722815 /nfs/dbraw/zinc/72/28/15/779722815.db2.gz NNKJUXPPGYYTKN-UHFFFAOYSA-N 0 1 293.436 2.504 20 30 CFEDMN C=CCN1CC(CNC(=O)c2cccc(C(C)(C)C)c2)C1 ZINC001032062643 779726709 /nfs/dbraw/zinc/72/67/09/779726709.db2.gz YQWNWEREHRTFKU-UHFFFAOYSA-N 0 1 286.419 2.832 20 30 CFEDMN C=C(C)CN1CC(CNC(=O)c2oc3ccccc3c2C)C1 ZINC001032170586 779752968 /nfs/dbraw/zinc/75/29/68/779752968.db2.gz IMVYCEDXQUSRDJ-UHFFFAOYSA-N 0 1 298.386 2.979 20 30 CFEDMN C[C@H]1CN(Cc2ccc(Cl)c(C#N)c2)CC[C@@]1(C)O ZINC001238188594 779760648 /nfs/dbraw/zinc/76/06/48/779760648.db2.gz FZNAMNFEMSQAOM-XHDPSFHLSA-N 0 1 278.783 2.804 20 30 CFEDMN COc1cccc(-c2cc3[nH]cnc3c(C#N)n2)c1OC ZINC001239813227 779793131 /nfs/dbraw/zinc/79/31/31/779793131.db2.gz UMZVEOZYASHFFX-UHFFFAOYSA-N 0 1 280.287 2.514 20 30 CFEDMN N#Cc1c(F)cc(-c2cc3[nH]cnc3cn2)cc1F ZINC001239913031 779856354 /nfs/dbraw/zinc/85/63/54/779856354.db2.gz VUZSUDKIVKASPS-UHFFFAOYSA-N 0 1 256.215 2.775 20 30 CFEDMN N#Cc1c[nH]c2ccnc(-c3cnc(C#N)c(F)c3)c12 ZINC001238988379 779872792 /nfs/dbraw/zinc/87/27/92/779872792.db2.gz HIYGRWRGRGNQMQ-UHFFFAOYSA-N 0 1 263.235 2.507 20 30 CFEDMN N#Cc1ncc(-c2cc3nc[nH]c3cc2F)cc1F ZINC001238992702 779874228 /nfs/dbraw/zinc/87/42/28/779874228.db2.gz IMTGVJCSOXDSBN-UHFFFAOYSA-N 0 1 256.215 2.775 20 30 CFEDMN C=CCC[C@H](C)[N@H+]1CCO[C@@](C)(CNC(=O)C=C(C)C)C1 ZINC001107709645 779885751 /nfs/dbraw/zinc/88/57/51/779885751.db2.gz GSPARIZDQMWZIX-RDJZCZTQSA-N 0 1 294.439 2.514 20 30 CFEDMN CCCCCCCN1CCO[C@@](C)(CNC(=O)C(C)C)C1 ZINC001107749940 779893657 /nfs/dbraw/zinc/89/36/57/779893657.db2.gz FSAGHKBGRWUJSR-KRWDZBQOSA-N 0 1 298.471 2.820 20 30 CFEDMN COc1ccc(F)c(-c2cc3[nH]cnc3c(C#N)n2)c1 ZINC001240115117 779943892 /nfs/dbraw/zinc/94/38/92/779943892.db2.gz HJKWNFOBHZAXEO-UHFFFAOYSA-N 0 1 268.251 2.644 20 30 CFEDMN C[C@H]1CCC[C@H]1CC(=O)NCCNCc1ccccc1C#N ZINC001127927026 779944267 /nfs/dbraw/zinc/94/42/67/779944267.db2.gz AAPWLFADVNPUES-GJZGRUSLSA-N 0 1 299.418 2.590 20 30 CFEDMN C=C(Cl)C(C)(C)C(=O)N1C[C@@H]2C[C@H]1C[N@H+]2CC1CCC1 ZINC001032422726 779951156 /nfs/dbraw/zinc/95/11/56/779951156.db2.gz INFOFJZRMZXRSZ-KBPBESRZSA-N 0 1 296.842 2.850 20 30 CFEDMN C=CC(C)(C)CC(=O)NC[C@@]1(C)C[N@@H+](CCCC)CCO1 ZINC001107971772 780026819 /nfs/dbraw/zinc/02/68/19/780026819.db2.gz YJOAMJFGKWCUBK-KRWDZBQOSA-N 0 1 296.455 2.596 20 30 CFEDMN C=CC(C)(C)CC(=O)NC[C@@]1(C)CN(CCCC)CCO1 ZINC001107971772 780026827 /nfs/dbraw/zinc/02/68/27/780026827.db2.gz YJOAMJFGKWCUBK-KRWDZBQOSA-N 0 1 296.455 2.596 20 30 CFEDMN C=C(C)CN1C[C@@H]2C[C@H]1CN2C(=O)[C@@H]1CCCC(F)(F)C1 ZINC001032622878 780081417 /nfs/dbraw/zinc/08/14/17/780081417.db2.gz ADQKRYYLMKMUSL-RDBSUJKOSA-N 0 1 298.377 2.673 20 30 CFEDMN C=CCCN1C[C@@H]2C[C@H]1CN2C(=O)c1cc(Cl)cs1 ZINC001032664926 780124165 /nfs/dbraw/zinc/12/41/65/780124165.db2.gz FTMQPPNLILQFMK-RYUDHWBXSA-N 0 1 296.823 2.876 20 30 CFEDMN C=CCCN1C[C@@H]2C[C@H]1CN2C(=O)C(C)(C)c1ccccc1 ZINC001032772968 780207766 /nfs/dbraw/zinc/20/77/66/780207766.db2.gz HFYPPRWCNHMWTR-IRXDYDNUSA-N 0 1 298.430 2.825 20 30 CFEDMN C=CCCN1C[C@@H]2C[C@H]1CN2C(=O)c1ccc(CF)cc1 ZINC001032808070 780262109 /nfs/dbraw/zinc/26/21/09/780262109.db2.gz IYYDSVRHHKZPTH-HOTGVXAUSA-N 0 1 288.366 2.631 20 30 CFEDMN C=C(C)CCC(=O)NCCNCc1ccccc1Cl ZINC001128405062 780426661 /nfs/dbraw/zinc/42/66/61/780426661.db2.gz MDUPXMFXQOPJOU-UHFFFAOYSA-N 0 1 280.799 2.902 20 30 CFEDMN C=C(C)CNC(=O)[C@@H]1CC12CCN(Cc1ccoc1)CC2 ZINC001272982970 780439376 /nfs/dbraw/zinc/43/93/76/780439376.db2.gz HYWATIOYTZNVAF-HNNXBMFYSA-N 0 1 288.391 2.574 20 30 CFEDMN C=CCN1CC[C@@H](NC(=O)C2[C@H]3CCCCCC[C@H]23)C1 ZINC001032841679 780452870 /nfs/dbraw/zinc/45/28/70/780452870.db2.gz UBSHMNWKDYGXTO-ILXRZTDVSA-N 0 1 276.424 2.579 20 30 CFEDMN Cc1nc(-c2ccc(N3CCN(C)CC3)cc2)ccc1C#N ZINC001240848192 780474519 /nfs/dbraw/zinc/47/45/19/780474519.db2.gz AXNGBTOHWGECEI-UHFFFAOYSA-N 0 1 292.386 2.681 20 30 CFEDMN C=C(C)CN1CC[C@H](N(C)C(=O)c2sccc2C)C1 ZINC001032867839 780490941 /nfs/dbraw/zinc/49/09/41/780490941.db2.gz XEOKQLSIJZCRJS-ZDUSSCGKSA-N 0 1 278.421 2.779 20 30 CFEDMN CC#CCN1CC[C@@H](N(C)C(=O)c2ccc3occc3c2)C1 ZINC001033098031 780558792 /nfs/dbraw/zinc/55/87/92/780558792.db2.gz DGWHGICKAIFOTQ-MRXNPFEDSA-N 0 1 296.370 2.602 20 30 CFEDMN C=CCC(C)(C)C(=O)N[C@H](C)CCNCc1cc(C)on1 ZINC001273043807 780562593 /nfs/dbraw/zinc/56/25/93/780562593.db2.gz HMCLXVCBKOLAHS-GFCCVEGCSA-N 0 1 293.411 2.570 20 30 CFEDMN C#CCCN1CC[C@H](N(C)C(=O)c2sccc2Cl)C1 ZINC001033104984 780565479 /nfs/dbraw/zinc/56/54/79/780565479.db2.gz XIXUAAJEZADGJA-NSHDSACASA-N 0 1 296.823 2.571 20 30 CFEDMN C=CCN1CC[C@@H](N(C)C(=O)c2sc(C)cc2C)C1 ZINC001033122371 780576729 /nfs/dbraw/zinc/57/67/29/780576729.db2.gz LHOHYANVERWIMC-CYBMUJFWSA-N 0 1 278.421 2.697 20 30 CFEDMN C=CCN1CC[C@@H](N(C)C(=O)[C@@H]2C[C@H]2c2ccsc2)C1 ZINC001033192320 780609758 /nfs/dbraw/zinc/60/97/58/780609758.db2.gz YRGGECRMEYZACC-QLFBSQMISA-N 0 1 290.432 2.570 20 30 CFEDMN C=CCN1CC[C@H](N(C)C(=O)c2ccc(CC)s2)C1 ZINC001033238599 780627749 /nfs/dbraw/zinc/62/77/49/780627749.db2.gz RPCVOQDLAFAARS-LBPRGKRZSA-N 0 1 278.421 2.643 20 30 CFEDMN C=CCN1CC[C@H](N(C)C(=O)c2c(C)oc(C)c2C)C1 ZINC001033246045 780631014 /nfs/dbraw/zinc/63/10/14/780631014.db2.gz KWECLTNRCWDHBQ-AWEZNQCLSA-N 0 1 276.380 2.537 20 30 CFEDMN CC#CCN1CC[C@H](N(C)C(=O)C2CCCCCCC2)C1 ZINC001033252957 780632768 /nfs/dbraw/zinc/63/27/68/780632768.db2.gz KNNFCYKVZWAOBZ-KRWDZBQOSA-N 0 1 290.451 2.903 20 30 CFEDMN C=CCN1CC[C@H](N(C)C(=O)C2(C3CCC3)CCC2)C1 ZINC001033299950 780644663 /nfs/dbraw/zinc/64/46/63/780644663.db2.gz HDSCTMLDVANRCY-HNNXBMFYSA-N 0 1 276.424 2.676 20 30 CFEDMN C=CCN1CC[C@@H](N(C)C(=O)c2cccc3ncccc32)C1 ZINC001033311100 780647195 /nfs/dbraw/zinc/64/71/95/780647195.db2.gz FCKPJMPCXJVZLL-CQSZACIVSA-N 0 1 295.386 2.567 20 30 CFEDMN C=CCC(F)(F)C(=O)Nc1ccc(F)c(-c2nc[nH]n2)c1 ZINC001128589183 780654868 /nfs/dbraw/zinc/65/48/68/780654868.db2.gz GIMZKMXGTCJHNP-UHFFFAOYSA-N 0 1 296.252 2.761 20 30 CFEDMN C=CCN1CC[C@@H](N(C)C(=O)c2ccn(C(C)C)c2C)C1 ZINC001033349633 780664219 /nfs/dbraw/zinc/66/42/19/780664219.db2.gz GBQXYPIZRGOWBN-OAHLLOKOSA-N 0 1 289.423 2.710 20 30 CFEDMN C=CCN1CC[C@@H](N(C)C(=O)[C@H]2C[C@@H]2c2ccccc2)C1 ZINC001033485851 780692128 /nfs/dbraw/zinc/69/21/28/780692128.db2.gz OMJYYJVDCZVTOS-ZACQAIPSSA-N 0 1 284.403 2.509 20 30 CFEDMN C=CCN1CC[C@H](N(C)C(=O)c2ccc(C(F)F)cc2)C1 ZINC001033507742 780696126 /nfs/dbraw/zinc/69/61/26/780696126.db2.gz HXLNSXBGVNAWQI-AWEZNQCLSA-N 0 1 294.345 2.957 20 30 CFEDMN C=CCN1CC[C@@H](N(C)C(=O)c2ccc(C(F)F)cc2)C1 ZINC001033507744 780696379 /nfs/dbraw/zinc/69/63/79/780696379.db2.gz HXLNSXBGVNAWQI-CQSZACIVSA-N 0 1 294.345 2.957 20 30 CFEDMN C=CCN1CC[C@@H](N(C)C(=O)[C@@H](C)c2ccccc2F)C1 ZINC001033512969 780698741 /nfs/dbraw/zinc/69/87/41/780698741.db2.gz NNBSWRBVNVLCSX-UONOGXRCSA-N 0 1 290.382 2.648 20 30 CFEDMN C=CCN1CC[C@@H](N(C)C(=O)[C@H](C)c2cc(C)oc2C)C1 ZINC001033511687 780698829 /nfs/dbraw/zinc/69/88/29/780698829.db2.gz BWGCZXLDNKLDPM-UKRRQHHQSA-N 0 1 290.407 2.719 20 30 CFEDMN C=CCN1CC[C@H](N(C)C(=O)[C@@H](C)c2cc(C)oc2C)C1 ZINC001033511691 780699051 /nfs/dbraw/zinc/69/90/51/780699051.db2.gz BWGCZXLDNKLDPM-ZFWWWQNUSA-N 0 1 290.407 2.719 20 30 CFEDMN C=CCN1CC[C@@H](N(C)C(=O)[C@H](C)c2ccc(C)s2)C1 ZINC001033581377 780717083 /nfs/dbraw/zinc/71/70/83/780717083.db2.gz JXIUBJBNLNASFR-ZIAGYGMSSA-N 0 1 292.448 2.879 20 30 CFEDMN C=CCN1CC[C@H](N(C)C(=O)[C@H]2CC[C@H](CC)CC2)C1 ZINC001033601643 780724883 /nfs/dbraw/zinc/72/48/83/780724883.db2.gz QRXDMGISKSTIDH-JYJNAYRXSA-N 0 1 278.440 2.922 20 30 CFEDMN C=CCN1CC[C@H](N(C)C(=O)C2CCC(C)(C)CC2)C1 ZINC001033695189 780751616 /nfs/dbraw/zinc/75/16/16/780751616.db2.gz YUMIRUNMORVBRY-HNNXBMFYSA-N 0 1 278.440 2.922 20 30 CFEDMN C=CCN1CC[C@@H](N(C)C(=O)c2ccoc2C(C)C)C1 ZINC001033695061 780752877 /nfs/dbraw/zinc/75/28/77/780752877.db2.gz WIMORPZGSIHYMB-CYBMUJFWSA-N 0 1 276.380 2.735 20 30 CFEDMN C=CCN1CC[C@@H](N(C)C(=O)[C@H]2CCCCC2(C)C)C1 ZINC001033690382 780753645 /nfs/dbraw/zinc/75/36/45/780753645.db2.gz JAVAPUKFLLOXQF-HUUCEWRRSA-N 0 1 278.440 2.922 20 30 CFEDMN C=CCN1CC[C@@H](N(C)C(=O)[C@@]2(C)CCc3ccccc32)C1 ZINC001033699072 780754547 /nfs/dbraw/zinc/75/45/47/780754547.db2.gz JZJSHGMKGBOHSI-APWZRJJASA-N 0 1 298.430 2.609 20 30 CFEDMN C#CCN1CC[C@@H](N(C)C(=O)C[C@@H]2CCCCC2(C)C)C1 ZINC001033711188 780758609 /nfs/dbraw/zinc/75/86/09/780758609.db2.gz MWVZXNRHORCIDV-JKSUJKDBSA-N 0 1 290.451 2.759 20 30 CFEDMN COC(=O)c1ccc(C#N)cc1-c1c(F)ccc(O)c1F ZINC001241293988 780765132 /nfs/dbraw/zinc/76/51/32/780765132.db2.gz HFIRFUPKRDNDLI-UHFFFAOYSA-N 0 1 289.237 2.996 20 30 CFEDMN C=CCN1CC[C@H](N(CC)C(=O)c2cscc2C)C1 ZINC001033785343 780785544 /nfs/dbraw/zinc/78/55/44/780785544.db2.gz HXNHYPNUVSBEFT-ZDUSSCGKSA-N 0 1 278.421 2.779 20 30 CFEDMN C#CCN1CC[C@@H](N(CC)C(=O)C2CCCCCC2)C1 ZINC001033776040 780787550 /nfs/dbraw/zinc/78/75/50/780787550.db2.gz WPTCPSAMHGLJBL-MRXNPFEDSA-N 0 1 276.424 2.513 20 30 CFEDMN C=CCN1CC[C@@H](N(CC)C(=O)C2=CCCCCC2)C1 ZINC001033810397 780794784 /nfs/dbraw/zinc/79/47/84/780794784.db2.gz KNPSLXUKIJSZCM-MRXNPFEDSA-N 0 1 276.424 2.986 20 30 CFEDMN C#CCN1CC[C@@H](N(CC)C(=O)[C@H]2CCC(C)=C(C)C2)C1 ZINC001033849817 780806835 /nfs/dbraw/zinc/80/68/35/780806835.db2.gz JKMYXFOQQVNGAG-DLBZAZTESA-N 0 1 288.435 2.679 20 30 CFEDMN C=CCN1CC[C@@H](N(CC)C(=O)c2[nH]ccc2C2CC2)C1 ZINC001033858365 780809031 /nfs/dbraw/zinc/80/90/31/780809031.db2.gz UUZLJKBSKGWPQX-CQSZACIVSA-N 0 1 287.407 2.615 20 30 CFEDMN C=CCN1CC[C@@H](N(CC)C(=O)[C@@H]2C[C@H]2C(C)(C)C)C1 ZINC001033900301 780821799 /nfs/dbraw/zinc/82/17/99/780821799.db2.gz KUOFHKJOOGPDGF-RBSFLKMASA-N 0 1 278.440 2.777 20 30 CFEDMN C=CCN1CC[C@H](N(CC)C(=O)[C@@H]2C[C@H]2C(C)(C)C)C1 ZINC001033900303 780823046 /nfs/dbraw/zinc/82/30/46/780823046.db2.gz KUOFHKJOOGPDGF-RRFJBIMHSA-N 0 1 278.440 2.777 20 30 CFEDMN C=CCN1CC[C@H](N(CC)C(=O)c2ccccc2CC)C1 ZINC001033944822 780839230 /nfs/dbraw/zinc/83/92/30/780839230.db2.gz YTMDFRNFNNKLRQ-INIZCTEOSA-N 0 1 286.419 2.971 20 30 CFEDMN C=CC[N@@H+]1CC[C@@H](N(CC)C(=O)c2cccc(F)c2F)C1 ZINC001033938558 780839446 /nfs/dbraw/zinc/83/94/46/780839446.db2.gz YLTGDKUETFCAER-GFCCVEGCSA-N 0 1 294.345 2.687 20 30 CFEDMN C=CCN1CC[C@@H](N(CC)C(=O)c2cccc(F)c2F)C1 ZINC001033938558 780839456 /nfs/dbraw/zinc/83/94/56/780839456.db2.gz YLTGDKUETFCAER-GFCCVEGCSA-N 0 1 294.345 2.687 20 30 CFEDMN C=CCN1CC[C@H](N(CC)C(=O)c2csc(C)c2)C1 ZINC001033989040 780849503 /nfs/dbraw/zinc/84/95/03/780849503.db2.gz JULIQDYGDOICNJ-AWEZNQCLSA-N 0 1 278.421 2.779 20 30 CFEDMN CC#CCN1CC[C@@H](N(CC)C(=O)c2ccc(C)cc2C)C1 ZINC001034029368 780858765 /nfs/dbraw/zinc/85/87/65/780858765.db2.gz OWEYKCSRZGODFI-QGZVFWFLSA-N 0 1 298.430 2.863 20 30 CFEDMN CC#CCN1CC[C@H](N(CC)C(=O)c2ccc(C)c(C)c2)C1 ZINC001034032063 780860074 /nfs/dbraw/zinc/86/00/74/780860074.db2.gz LCMWTXXMFALRGI-SFHVURJKSA-N 0 1 298.430 2.863 20 30 CFEDMN CC#CCN1CC[C@H](N(CC)C(=O)c2ccc(CC)cc2)C1 ZINC001034037497 780861684 /nfs/dbraw/zinc/86/16/84/780861684.db2.gz XWVQVLYNJAMOLY-SFHVURJKSA-N 0 1 298.430 2.809 20 30 CFEDMN C#CCC[N@@H+]1CC[C@@H](N(CC)C(=O)c2cc(C)ccc2C)C1 ZINC001034025370 780864070 /nfs/dbraw/zinc/86/40/70/780864070.db2.gz GPKZEEFONRPSPE-QGZVFWFLSA-N 0 1 298.430 2.863 20 30 CFEDMN C#CCC[N@@H+]1CC[C@H](N(CC)C(=O)c2cc(C)ccc2C)C1 ZINC001034025369 780864604 /nfs/dbraw/zinc/86/46/04/780864604.db2.gz GPKZEEFONRPSPE-KRWDZBQOSA-N 0 1 298.430 2.863 20 30 CFEDMN C#CCC[N@@H+]1CC[C@H](N(CC)C(=O)c2cc(C)cc(C)c2)C1 ZINC001034025159 780865703 /nfs/dbraw/zinc/86/57/03/780865703.db2.gz DVZRXNOLEWKWGO-SFHVURJKSA-N 0 1 298.430 2.863 20 30 CFEDMN COc1cc2[nH]cnc2cc1-c1ccc(C#N)nc1 ZINC001241428129 780875363 /nfs/dbraw/zinc/87/53/63/780875363.db2.gz FWVVULFAZPLXMR-UHFFFAOYSA-N 0 1 250.261 2.505 20 30 CFEDMN CN(C)Cc1ccc(-c2ccc(C#N)nc2)cc1F ZINC001241434848 780880942 /nfs/dbraw/zinc/88/09/42/780880942.db2.gz IKJVUTHSGDBHEG-UHFFFAOYSA-N 0 1 255.296 2.821 20 30 CFEDMN Cn1ncc2c1cccc2-c1nccc2[nH]cc(C#N)c21 ZINC001241449807 780904234 /nfs/dbraw/zinc/90/42/34/780904234.db2.gz KFGQBDVIXALCSY-UHFFFAOYSA-N 0 1 273.299 2.988 20 30 CFEDMN CC#CCN1CCCC[C@@H](NC(=O)Cc2ccc(C)cc2)C1 ZINC001034299030 780941133 /nfs/dbraw/zinc/94/11/33/780941133.db2.gz ZXOVTIRENVBCAP-GOSISDBHSA-N 0 1 298.430 2.532 20 30 CFEDMN C#CCN1CCCC[C@H](NC(=O)C2CCC3(CC3)CC2)C1 ZINC001034316383 780944814 /nfs/dbraw/zinc/94/48/14/780944814.db2.gz USFOACFZBMXXBL-INIZCTEOSA-N 0 1 288.435 2.561 20 30 CFEDMN C=CCCN1CCO[C@](C)(CNC(=O)CC(C)=C(C)C)C1 ZINC001108125029 780947199 /nfs/dbraw/zinc/94/71/99/780947199.db2.gz WRHYPIVPEGWVST-QGZVFWFLSA-N 0 1 294.439 2.516 20 30 CFEDMN Cc1ccc2n[nH]cc2c1-c1cc2[nH]cnc2c(C#N)n1 ZINC001241518258 780956842 /nfs/dbraw/zinc/95/68/42/780956842.db2.gz LRJWNWZHLBWUBD-UHFFFAOYSA-N 0 1 274.287 2.681 20 30 CFEDMN C=CC[N@H+]1CCCC[C@@H](NC(=O)C2CCC(=C)CC2)C1 ZINC001034378496 780961066 /nfs/dbraw/zinc/96/10/66/780961066.db2.gz TXDLKIJJGVYZLM-MRXNPFEDSA-N 0 1 276.424 2.890 20 30 CFEDMN CC#CCN1CCCC[C@H](NC(=O)[C@H](C)C2CCCC2)C1 ZINC001034480513 780982026 /nfs/dbraw/zinc/98/20/26/780982026.db2.gz LEPCKVCMCKIQBN-WBVHZDCISA-N 0 1 290.451 2.807 20 30 CFEDMN C#CCN1CCCC[C@@H](NC(=O)[C@H]2CC[C@H](CC)CC2)C1 ZINC001034497373 780983418 /nfs/dbraw/zinc/98/34/18/780983418.db2.gz SPJCLKACQKZSGZ-BRWVUGGUSA-N 0 1 290.451 2.807 20 30 CFEDMN CC#CCN1CCCC[C@@H](NC(=O)c2cc(C)ccc2C)C1 ZINC001034508163 780987959 /nfs/dbraw/zinc/98/79/59/780987959.db2.gz UANAOKAOYXWBKR-QGZVFWFLSA-N 0 1 298.430 2.911 20 30 CFEDMN C#CCN1CCCC[C@H](NC(=O)c2ccc(C3CC3)cc2)C1 ZINC001034541078 780995889 /nfs/dbraw/zinc/99/58/89/780995889.db2.gz MKPVSZFNEFQYMD-SFHVURJKSA-N 0 1 296.414 2.782 20 30 CFEDMN COc1cnc(-c2ccc3c(C)[nH]nc3c2)c(C#N)c1 ZINC001241636231 781034644 /nfs/dbraw/zinc/03/46/44/781034644.db2.gz BXTCJWZHPSTUPS-UHFFFAOYSA-N 0 1 264.288 2.814 20 30 CFEDMN Cc1[nH]nc2cc(-c3nnc(C)c(C)c3C#N)ccc12 ZINC001241637011 781036289 /nfs/dbraw/zinc/03/62/89/781036289.db2.gz PYEIDDASBNFJDL-UHFFFAOYSA-N 0 1 263.304 2.817 20 30 CFEDMN COc1cc(C#N)nc(-c2ccc3c(C)[nH]nc3c2)c1 ZINC001241639012 781039382 /nfs/dbraw/zinc/03/93/82/781039382.db2.gz YOEJYDYKEMDNIK-UHFFFAOYSA-N 0 1 264.288 2.814 20 30 CFEDMN COc1ccc(C#N)c(-c2ccc3c(C)[nH]nc3c2)n1 ZINC001241642524 781042221 /nfs/dbraw/zinc/04/22/21/781042221.db2.gz PASJPNDPDAFAHR-UHFFFAOYSA-N 0 1 264.288 2.814 20 30 CFEDMN Cc1[nH]nc2ccc(-c3ncc(C#N)cc3C#N)cc12 ZINC001241666424 781059191 /nfs/dbraw/zinc/05/91/91/781059191.db2.gz FOGZPBFURWGQNB-UHFFFAOYSA-N 0 1 259.272 2.677 20 30 CFEDMN Cc1[nH]nc2ccc(-c3nccc(F)c3C#N)cc12 ZINC001241667583 781060359 /nfs/dbraw/zinc/06/03/59/781060359.db2.gz PKBWISSIARHCJT-UHFFFAOYSA-N 0 1 252.252 2.944 20 30 CFEDMN COC(=O)c1ccc(-c2ccc3n[nH]c(C)c3c2)c(C#N)n1 ZINC001241669615 781062497 /nfs/dbraw/zinc/06/24/97/781062497.db2.gz UESJSAQFDFWJRZ-UHFFFAOYSA-N 0 1 292.298 2.592 20 30 CFEDMN N#Cc1c[nH]c2nccc(-c3ccc4nc[nH]c4c3)c12 ZINC001241696435 781077879 /nfs/dbraw/zinc/07/78/79/781077879.db2.gz GTNWGWJUVVIYMZ-UHFFFAOYSA-N 0 1 259.272 2.978 20 30 CFEDMN C=CCN1CC2(C1)CCN(C(=O)c1ccc(F)cc1)CC2 ZINC001035639617 781153517 /nfs/dbraw/zinc/15/35/17/781153517.db2.gz HNEMLSJCXZXHPG-UHFFFAOYSA-N 0 1 288.366 2.550 20 30 CFEDMN C=CCN1CC2(C1)CCN(C(=O)c1cccc(C)c1)CC2 ZINC001035642461 781154308 /nfs/dbraw/zinc/15/43/08/781154308.db2.gz UFLPFSYQZQMTBW-UHFFFAOYSA-N 0 1 284.403 2.719 20 30 CFEDMN C=CCN1CC2(C1)CCN(C(=O)C(C)=C1CCCC1)CC2 ZINC001035678944 781156062 /nfs/dbraw/zinc/15/60/62/781156062.db2.gz SXXGKRBLNPIFRG-UHFFFAOYSA-N 0 1 288.435 2.987 20 30 CFEDMN C=CCN1CC2(C1)CCN(C(=O)c1cc(C)cs1)CC2 ZINC001035700917 781160402 /nfs/dbraw/zinc/16/04/02/781160402.db2.gz MBPBOBYOAGLOQJ-UHFFFAOYSA-N 0 1 290.432 2.781 20 30 CFEDMN C=CCN1CC2(C1)CCN(C(=O)C[C@@H]1C[C@H]1C1CC1)CC2 ZINC001035757939 781164147 /nfs/dbraw/zinc/16/41/47/781164147.db2.gz NWZHHJFQTYHKSH-HOTGVXAUSA-N 0 1 288.435 2.533 20 30 CFEDMN C=CCN1CC2(C1)CCN(C(=O)C[C@H]1CC=CCC1)CC2 ZINC001035768225 781166255 /nfs/dbraw/zinc/16/62/55/781166255.db2.gz CNOFMVAXRDPNRF-INIZCTEOSA-N 0 1 288.435 2.843 20 30 CFEDMN C=CCN1CC2(C1)CCN(C(=O)[C@@H]1CCC[C@H]1CC)CC2 ZINC001035786844 781168874 /nfs/dbraw/zinc/16/88/74/781168874.db2.gz FSMBQXLJBLTHGQ-HZPDHXFCSA-N 0 1 290.451 2.923 20 30 CFEDMN C=CCN1CC2(C1)CCN(C(=O)[C@H]1CCC(C)(C)C1)CC2 ZINC001035792021 781169966 /nfs/dbraw/zinc/16/99/66/781169966.db2.gz YFJQYMHKDWIHKS-HNNXBMFYSA-N 0 1 290.451 2.923 20 30 CFEDMN C=CCN1CC2(C1)CCN(C(=O)[C@H]1CC[C@H](C)C1)CC2 ZINC001035813671 781174405 /nfs/dbraw/zinc/17/44/05/781174405.db2.gz WFJCYARXYSQYGW-GJZGRUSLSA-N 0 1 276.424 2.533 20 30 CFEDMN N#Cc1cc(C(F)(F)F)cnc1-c1ccc2nn[nH]c2c1 ZINC001241938562 781192303 /nfs/dbraw/zinc/19/23/03/781192303.db2.gz OXMIWJCQJIUXPK-UHFFFAOYSA-N 0 1 289.220 2.910 20 30 CFEDMN C[C@H](CO)[C@H]1CCCCN1Cc1ccc(F)cc1C#N ZINC000711304994 781407141 /nfs/dbraw/zinc/40/71/41/781407141.db2.gz WXFPNUOUHXXFPV-MLGOLLRUSA-N 0 1 276.355 2.680 20 30 CFEDMN N#Cc1cc2nc(-c3cccc(F)c3O)ccc2[nH]1 ZINC001242349644 781421364 /nfs/dbraw/zinc/42/13/64/781421364.db2.gz UVRNUCPCIUHMED-UHFFFAOYSA-N 0 1 253.236 2.946 20 30 CFEDMN C=CCCN1CCO[C@](C)(CNC(=O)C(C)(C)CCC)C1 ZINC001108177310 781455070 /nfs/dbraw/zinc/45/50/70/781455070.db2.gz UAHWGPZMEBRROT-QGZVFWFLSA-N 0 1 296.455 2.596 20 30 CFEDMN Cc1cc(C#N)ccc1-c1cc2[nH]nnc2cc1F ZINC001242473554 781529270 /nfs/dbraw/zinc/52/92/70/781529270.db2.gz DDETVEIHIZVREA-UHFFFAOYSA-N 0 1 252.252 2.944 20 30 CFEDMN Cc1cc(C#N)ccc1-c1ccc(N2CCN(C)CC2)cn1 ZINC001242476431 781530676 /nfs/dbraw/zinc/53/06/76/781530676.db2.gz PVJCRBYBNSTXCS-UHFFFAOYSA-N 0 1 292.386 2.681 20 30 CFEDMN Cc1ccc(C#N)cc1-c1cc(N2CCOCC2)ccn1 ZINC001242539968 781579646 /nfs/dbraw/zinc/57/96/46/781579646.db2.gz DIQVZGSVOSXHII-UHFFFAOYSA-N 0 1 279.343 2.765 20 30 CFEDMN CN1CCN(c2ccc(-c3ccc(O)c(C#N)c3)cc2)CC1 ZINC001242564997 781603068 /nfs/dbraw/zinc/60/30/68/781603068.db2.gz GEXFBQGKNNGKMR-UHFFFAOYSA-N 0 1 293.370 2.683 20 30 CFEDMN C=CCN1C[C@@H](C)[C@H](NC(=O)c2cc3cc(C)ccc3o2)C1 ZINC001080996389 781691281 /nfs/dbraw/zinc/69/12/81/781691281.db2.gz SGHKDDVFBOIDLA-UKRRQHHQSA-N 0 1 298.386 2.977 20 30 CFEDMN C=C[C@H](COC)N[C@H](CC)c1cccc(OC)c1OC ZINC001118994317 781738789 /nfs/dbraw/zinc/73/87/89/781738789.db2.gz TYNXXRNIQCKHMJ-TZMCWYRMSA-N 0 1 279.380 2.946 20 30 CFEDMN C=C(Cl)CN[C@@H]1CN(C(=O)[C@H]2CCC2(C)C)C[C@H]1C ZINC001082695472 781739621 /nfs/dbraw/zinc/73/96/21/781739621.db2.gz SCWVHFUXTLIONX-RAIGVLPGSA-N 0 1 284.831 2.612 20 30 CFEDMN C#CCN1CC(C)(C)CC[C@H]1CNC(=O)CCCCC ZINC001098901082 781766518 /nfs/dbraw/zinc/76/65/18/781766518.db2.gz XMLKKMQEBMOJHG-HNNXBMFYSA-N 0 1 278.440 2.807 20 30 CFEDMN C=C(C)CN1CC[C@@H]2CN(C(=O)c3ccc(C)s3)[C@@H]2C1 ZINC001084157835 781772335 /nfs/dbraw/zinc/77/23/35/781772335.db2.gz GJLCVAFFCIDMMD-ZIAGYGMSSA-N 0 1 290.432 2.779 20 30 CFEDMN C=CCN1CC[C@@H]2CN(C(=O)C(C)=C3CCCC3)[C@@H]2C1 ZINC001084271284 781785247 /nfs/dbraw/zinc/78/52/47/781785247.db2.gz PCTKJOILSDBGKN-HZPDHXFCSA-N 0 1 274.408 2.596 20 30 CFEDMN C=CCN1CC[C@@H]2CN(C(=O)c3csc(C)c3C)[C@@H]2C1 ZINC001084370166 781792125 /nfs/dbraw/zinc/79/21/25/781792125.db2.gz MJGHDAJWUNKAGV-UKRRQHHQSA-N 0 1 290.432 2.697 20 30 CFEDMN C=CCN1CC[C@@H]2CN(C(=O)c3ccc(C(C)C)nc3)[C@@H]2C1 ZINC001084405431 781794525 /nfs/dbraw/zinc/79/45/25/781794525.db2.gz MZWZBBHFQATFJZ-NVXWUHKLSA-N 0 1 299.418 2.537 20 30 CFEDMN C=CCN1CC[C@@H]2CN(C(=O)[C@H]3C[C@@H]3c3ccccc3)[C@@H]2C1 ZINC001084706076 781825362 /nfs/dbraw/zinc/82/53/62/781825362.db2.gz DWMIEOMLTMNCJL-ZJPYXAASSA-N 0 1 296.414 2.509 20 30 CFEDMN CC#CCN1CC(C)(C)CC[C@@H]1CNC(=O)[C@@H](C)CC ZINC001098915501 781832080 /nfs/dbraw/zinc/83/20/80/781832080.db2.gz JNBJCUZRSSRXOJ-LSDHHAIUSA-N 0 1 278.440 2.663 20 30 CFEDMN C=CCN1CC(C)(C)CC[C@H]1CNC(=O)[C@H](C)SC ZINC001098920893 781841603 /nfs/dbraw/zinc/84/16/03/781841603.db2.gz DHPBBKYUKFCYPM-STQMWFEESA-N 0 1 284.469 2.531 20 30 CFEDMN C=CCN1CC[C@@H]2CN(C(=O)c3cccc4c3CCC4)[C@@H]2C1 ZINC001084862875 781848984 /nfs/dbraw/zinc/84/89/84/781848984.db2.gz HZSXFVLZGXHEBE-CRAIPNDOSA-N 0 1 296.414 2.508 20 30 CFEDMN C#C[C@H](CCCCC)Oc1nc(Cl)nc2[nH]ncc21 ZINC001231047312 781896758 /nfs/dbraw/zinc/89/67/58/781896758.db2.gz PAEYTVWCKBAHQA-SECBINFHSA-N 0 1 278.743 2.967 20 30 CFEDMN COCC1(C)CN(Cc2ccc(C(C)(C)C#N)cc2)C1 ZINC000594607487 349460856 /nfs/dbraw/zinc/46/08/56/349460856.db2.gz VWAWEGIMXSFYDZ-UHFFFAOYSA-N 0 1 272.392 2.956 20 30 CFEDMN CN(Cc1cn(-c2ccccc2C#N)nn1)C1CCCCC1 ZINC000594652887 349468524 /nfs/dbraw/zinc/46/85/24/349468524.db2.gz VKSKULWQGFCFIC-UHFFFAOYSA-N 0 1 295.390 2.903 20 30 CFEDMN N#CC1(Cn2cc([C@H](N)c3ccc(F)cc3)nn2)CCCC1 ZINC000594657613 349470385 /nfs/dbraw/zinc/47/03/85/349470385.db2.gz CRUPEHOJEJJDEY-OAHLLOKOSA-N 0 1 299.353 2.549 20 30 CFEDMN CCCn1nccc1CN[C@H]1CCc2cc(C#N)ccc21 ZINC000594937323 349518571 /nfs/dbraw/zinc/51/85/71/349518571.db2.gz HZMKGCDXHZETKB-KRWDZBQOSA-N 0 1 280.375 2.942 20 30 CFEDMN C#CCCCCc1nc(-c2ccc3[nH]cnc3c2)no1 ZINC000273859334 192338584 /nfs/dbraw/zinc/33/85/84/192338584.db2.gz JGCVRAGLGCAFKL-UHFFFAOYSA-N 0 1 266.304 2.959 20 30 CFEDMN C=CCCSCCNCc1cn2cccc(F)c2n1 ZINC000594960134 349530340 /nfs/dbraw/zinc/53/03/40/349530340.db2.gz KMGOAKVOKSQBNF-UHFFFAOYSA-N 0 1 279.384 2.872 20 30 CFEDMN COc1cncc(CNC(C)(C)c2cccc(C#N)c2)c1 ZINC000594970072 349535827 /nfs/dbraw/zinc/53/58/27/349535827.db2.gz SFYQAVXGTSIQMQ-UHFFFAOYSA-N 0 1 281.359 2.987 20 30 CFEDMN CC(C)(NCc1cnc2n1CCC2)c1cccc(C#N)c1 ZINC000594970601 349536193 /nfs/dbraw/zinc/53/61/93/349536193.db2.gz ZOVFQJWLDULNTF-UHFFFAOYSA-N 0 1 280.375 2.726 20 30 CFEDMN N#Cc1ccc(CNC[C@@H]2C[C@H](c3ccccc3)CO2)o1 ZINC000594975102 349537096 /nfs/dbraw/zinc/53/70/96/349537096.db2.gz PYBPOCFKAIVRDS-YOEHRIQHSA-N 0 1 282.343 2.814 20 30 CFEDMN COc1cc(CN[C@@H](c2ccccc2)[C@H](C)O)ccc1C#N ZINC000595007639 349546689 /nfs/dbraw/zinc/54/66/89/349546689.db2.gz PGNDWGSQQDCMSO-SCLBCKFNSA-N 0 1 296.370 2.779 20 30 CFEDMN COc1cc([N+](=O)[O-])ccc1[C@@H](C)NCCCC#N ZINC000595033709 349557155 /nfs/dbraw/zinc/55/71/55/349557155.db2.gz SKKDCGPCRWADMG-SNVBAGLBSA-N 0 1 263.297 2.558 20 30 CFEDMN CO[C@@H](CNCc1nc(C#N)cs1)C1CCCCC1 ZINC000594994474 349542274 /nfs/dbraw/zinc/54/22/74/349542274.db2.gz GBYXKYDNVNLSCP-ZDUSSCGKSA-N 0 1 279.409 2.700 20 30 CFEDMN N#CC1(CN[C@H](c2nnc[nH]2)c2ccccc2)CCCCC1 ZINC000595090098 349576974 /nfs/dbraw/zinc/57/69/74/349576974.db2.gz CQVPWMXVXZIJPU-HNNXBMFYSA-N 0 1 295.390 2.958 20 30 CFEDMN C[C@H]1c2cccn2CCN1CCc1ccc(C#N)cc1 ZINC000595287072 349590611 /nfs/dbraw/zinc/59/06/11/349590611.db2.gz KUIVPOWYCZJFNK-AWEZNQCLSA-N 0 1 265.360 2.979 20 30 CFEDMN CCN(C[C@H](C)C#N)C[C@H]1CCCN(C(=O)C(C)(C)C)C1 ZINC000595297701 349595917 /nfs/dbraw/zinc/59/59/17/349595917.db2.gz JLSVQZIOSIVEEB-HUUCEWRRSA-N 0 1 293.455 2.753 20 30 CFEDMN CCC(CC)CN(CCC#N)C[C@@H](OC)[C@H]1CCOC1 ZINC000595348554 349609042 /nfs/dbraw/zinc/60/90/42/349609042.db2.gz SPEHZPUOBGUSCZ-JKSUJKDBSA-N 0 1 282.428 2.690 20 30 CFEDMN CN1CCN([C@H](C#N)c2ccc(Cl)cc2)CC1(C)C ZINC000595470057 349637095 /nfs/dbraw/zinc/63/70/95/349637095.db2.gz LLAHMRJLOJOULV-CQSZACIVSA-N 0 1 277.799 2.931 20 30 CFEDMN Cc1noc([C@@H]2CCCN2CCc2ccc(C#N)cc2)n1 ZINC000595485024 349640229 /nfs/dbraw/zinc/64/02/29/349640229.db2.gz UKOXBRWZOGGKNS-HNNXBMFYSA-N 0 1 282.347 2.629 20 30 CFEDMN CC[C@]1(CO)CCCN(Cc2cccc(C#N)c2F)C1 ZINC000426519077 529425858 /nfs/dbraw/zinc/42/58/58/529425858.db2.gz ADQMRBSVACNIBS-INIZCTEOSA-N 0 1 276.355 2.682 20 30 CFEDMN CN(C)[C@@H](CNC(=O)C1(C#N)CCCC1)c1cccs1 ZINC000069181174 346884684 /nfs/dbraw/zinc/88/46/84/346884684.db2.gz HTKBPVVVEMJIGN-LBPRGKRZSA-N 0 1 291.420 2.551 20 30 CFEDMN C[C@@H]1C[N@@H+](CCc2ccc(C#N)cc2)CC2(CCC2)O1 ZINC000595566027 349662279 /nfs/dbraw/zinc/66/22/79/349662279.db2.gz FUCOEQYOOULSKP-CQSZACIVSA-N 0 1 270.376 2.744 20 30 CFEDMN Cc1cc(CN2CCO[C@@](C)(C3CC3)C2)ccc1C#N ZINC000595627101 349682641 /nfs/dbraw/zinc/68/26/41/349682641.db2.gz VIRKMLDKINWKFO-QGZVFWFLSA-N 0 1 270.376 2.868 20 30 CFEDMN CC(C)CCN1CCN(c2ccsc2C#N)CC1 ZINC000595633538 349683724 /nfs/dbraw/zinc/68/37/24/349683724.db2.gz ZMBFIZDQJACAGL-UHFFFAOYSA-N 0 1 263.410 2.788 20 30 CFEDMN C=CC[C@H]1CCCN(Cc2ccoc2C(=O)OC)C1 ZINC000595661385 349693235 /nfs/dbraw/zinc/69/32/35/349693235.db2.gz ZVXKIPMFJJTVCY-LBPRGKRZSA-N 0 1 263.337 2.854 20 30 CFEDMN C[C@@]12COC[C@]1(C)CN(Cc1ccc(F)c(C#N)c1)C2 ZINC000595689527 349702319 /nfs/dbraw/zinc/70/23/19/349702319.db2.gz QXUVJMZFLYKFPY-IYBDPMFKSA-N 0 1 274.339 2.556 20 30 CFEDMN C[C@@]12COC[C@@H]1CN(Cc1ccc(C#N)cc1Cl)C2 ZINC000595755647 349723736 /nfs/dbraw/zinc/72/37/36/349723736.db2.gz CDNWDHDXQUJBBG-DZGCQCFKSA-N 0 1 276.767 2.680 20 30 CFEDMN C[C@H](C(=O)N(CCC#N)c1ccccc1)N1CC[C@@H]2C[C@@H]2C1 ZINC000595807825 349736840 /nfs/dbraw/zinc/73/68/40/349736840.db2.gz AYWLNJXRQRWUTM-BZUAXINKSA-N 0 1 297.402 2.664 20 30 CFEDMN N#Cc1c(CN2CC[C@H]3C[C@H]3C2)cn2ccccc12 ZINC000595810036 349737831 /nfs/dbraw/zinc/73/78/31/349737831.db2.gz VXPONFSUADWQKQ-STQMWFEESA-N 0 1 251.333 2.653 20 30 CFEDMN COc1cccc(CCCN2CC[C@@](C)(C#N)C2)c1 ZINC000595838344 349749542 /nfs/dbraw/zinc/74/95/42/349749542.db2.gz AQDPJBLYMWXVFB-INIZCTEOSA-N 0 1 258.365 2.863 20 30 CFEDMN C[C@@]1(C#N)CCN(CCCOCCc2ccccc2)C1 ZINC000595839341 349750533 /nfs/dbraw/zinc/75/05/33/349750533.db2.gz IARDZMWVAIFUME-KRWDZBQOSA-N 0 1 272.392 2.871 20 30 CFEDMN CO[C@H](CN1CC[C@](C)(C#N)C1)C1CCCCC1 ZINC000595841545 349751479 /nfs/dbraw/zinc/75/14/79/349751479.db2.gz MAOZXQSQFXDNDZ-HUUCEWRRSA-N 0 1 250.386 2.817 20 30 CFEDMN COCC[C@@H](c1ccccc1)N1CC[C@@](C)(C#N)C1 ZINC000595842863 349752557 /nfs/dbraw/zinc/75/25/57/349752557.db2.gz HWORXODKKZCMNZ-HOTGVXAUSA-N 0 1 258.365 3.000 20 30 CFEDMN C=C1C[C@H]2CC[C@@H](C1)N2CC(=O)Nc1cccc(C#N)c1 ZINC000595845639 349754148 /nfs/dbraw/zinc/75/41/48/349754148.db2.gz RRVNHCOPNDDZRY-IYBDPMFKSA-N 0 1 281.359 2.680 20 30 CFEDMN Cc1ccccc1[C@@H](N)C(=O)NCC1(C#N)CCCCC1 ZINC000595944738 349771949 /nfs/dbraw/zinc/77/19/49/349771949.db2.gz WRWROHBECDRUPJ-OAHLLOKOSA-N 0 1 285.391 2.585 20 30 CFEDMN C#CC[C@@H](NCc1cnn(C)c1C)c1ccccc1 ZINC000270224180 190622769 /nfs/dbraw/zinc/62/27/69/190622769.db2.gz PTFKNOLEYCREMP-MRXNPFEDSA-N 0 1 253.349 2.583 20 30 CFEDMN C=C(C)CN(CC)CC(=O)N[C@@H]1CCOc2ccccc21 ZINC000072817380 346941524 /nfs/dbraw/zinc/94/15/24/346941524.db2.gz FBJXPKHOCAFPQX-OAHLLOKOSA-N 0 1 288.391 2.524 20 30 CFEDMN CC(C)c1nc(CNc2snc(Cl)c2C#N)n[nH]1 ZINC000295067998 199329033 /nfs/dbraw/zinc/32/90/33/199329033.db2.gz ZMUBQNWEKAZRJA-UHFFFAOYSA-N 0 1 282.760 2.522 20 30 CFEDMN Cc1cc(C(C#N)C(=O)[C@H]2CCCC23CC3)nc(C)n1 ZINC000528918172 383677337 /nfs/dbraw/zinc/67/73/37/383677337.db2.gz OEVXFCYZRSCBOG-QWHCGFSZSA-N 0 1 269.348 2.850 20 30 CFEDMN CC[C@@H](Nc1nc(C#N)c(Cl)s1)[C@@H]1CCCCO1 ZINC000596296988 349855747 /nfs/dbraw/zinc/85/57/47/349855747.db2.gz ORNUQUTXDRKQRS-SCZZXKLOSA-N 0 1 285.800 2.850 20 30 CFEDMN CN(CC(=O)Nc1ccc2nc[nH]c2c1)[C@H]1CCSC1 ZINC000329111131 529852738 /nfs/dbraw/zinc/85/27/38/529852738.db2.gz GPGPCAMLDSIIRB-NSHDSACASA-N 0 1 290.392 2.588 20 30 CFEDMN N#Cc1ccc(C(=O)Nc2nc(-c3ccco3)n[nH]2)cc1 ZINC000073973450 346987375 /nfs/dbraw/zinc/98/73/75/346987375.db2.gz BYZVFVSTUKMJBJ-UHFFFAOYSA-N 0 1 279.259 2.573 20 30 CFEDMN CC1(C)CCC(O)(CNc2nc(C#N)c(Cl)s2)CC1 ZINC000596512306 349926126 /nfs/dbraw/zinc/92/61/26/349926126.db2.gz DBMDWPSZPRYTLS-UHFFFAOYSA-N 0 1 299.827 2.833 20 30 CFEDMN CC1CCN(Cc2nnc(-c3cccc(C#N)c3)o2)CC1 ZINC000075617118 347087352 /nfs/dbraw/zinc/08/73/52/347087352.db2.gz MUUILCFZTIYHPA-UHFFFAOYSA-N 0 1 282.347 2.840 20 30 CFEDMN N#Cc1ccnc(NC[C@H]2CCN2Cc2ccccc2)c1 ZINC000596553440 349939922 /nfs/dbraw/zinc/93/99/22/349939922.db2.gz SOSOXSGLAKCQKE-MRXNPFEDSA-N 0 1 278.359 2.640 20 30 CFEDMN Cc1ccc(C#N)nc1NC[C@H]1CCN1Cc1ccccc1 ZINC000596559446 349941315 /nfs/dbraw/zinc/94/13/15/349941315.db2.gz YPRMFXAAPIYRCM-QGZVFWFLSA-N 0 1 292.386 2.948 20 30 CFEDMN C=CCN(C(=O)CN(C)[C@H]1CCSC1)c1ccccc1 ZINC000089937043 539518035 /nfs/dbraw/zinc/51/80/35/539518035.db2.gz SXHFFYLJBBVQBD-HNNXBMFYSA-N 0 1 290.432 2.643 20 30 CFEDMN C=CCNC(=O)[C@H](C)Sc1nc2ccc(Cl)cc2[nH]1 ZINC000016827670 346239200 /nfs/dbraw/zinc/23/92/00/346239200.db2.gz IOKUPEKCHZDEDQ-QMMMGPOBSA-N 0 1 295.795 2.999 20 30 CFEDMN Cc1cc(-c2noc([C@H](C)CC#N)n2)cc2nc[nH]c21 ZINC000596588139 349950264 /nfs/dbraw/zinc/95/02/64/349950264.db2.gz UXXDSHRWXUOVID-MRVPVSSYSA-N 0 1 267.292 2.939 20 30 CFEDMN C=CCN(CC=C)C(=O)CN(C)CCCc1ccccc1 ZINC000046087664 346420183 /nfs/dbraw/zinc/42/01/83/346420183.db2.gz COLYTVTXHYKCFI-UHFFFAOYSA-N 0 1 286.419 2.752 20 30 CFEDMN Cc1ccc([C@@H](C)N(C)CC(=O)N[C@@](C)(C#N)C2CC2)cc1 ZINC000047959691 346461523 /nfs/dbraw/zinc/46/15/23/346461523.db2.gz QQECZFIFVLLTPV-KDOFPFPSSA-N 0 1 299.418 2.796 20 30 CFEDMN C[C@@H](NCC1(C#N)CCCCC1)c1cnccc1N ZINC000596653186 349969655 /nfs/dbraw/zinc/96/96/55/349969655.db2.gz SLFQUPNEKJZBEM-GFCCVEGCSA-N 0 1 258.369 2.619 20 30 CFEDMN N#CCCCN1CCC(C(=O)c2ccccc2)CC1 ZINC000055102396 346582221 /nfs/dbraw/zinc/58/22/21/346582221.db2.gz ORBIGORYAUZGGH-UHFFFAOYSA-N 0 1 256.349 2.885 20 30 CFEDMN C[C@H]1CCCC[C@H]1OCCN1CCC(C#N)CC1 ZINC000057875754 346639286 /nfs/dbraw/zinc/63/92/86/346639286.db2.gz VONNKDFXXZGFNF-DZGCQCFKSA-N 0 1 250.386 2.817 20 30 CFEDMN CCN(CC)CC(=O)N(CCC#N)c1ccc(C)cc1 ZINC000066405750 346758640 /nfs/dbraw/zinc/75/86/40/346758640.db2.gz UROUHJYDVLPNAT-UHFFFAOYSA-N 0 1 273.380 2.584 20 30 CFEDMN C=CCOc1ccc(C[N@@H+]2CCC[C@@H](C(=O)[O-])C2)cc1 ZINC000066115128 346747784 /nfs/dbraw/zinc/74/77/84/346747784.db2.gz GCHDCLFXEBOOEQ-CQSZACIVSA-N 0 1 275.348 2.548 20 30 CFEDMN N#Cc1cc(F)ccc1CN1CCC2(C1)CCOCC2 ZINC000076157043 347126982 /nfs/dbraw/zinc/12/69/82/347126982.db2.gz YLCRUZVGBOCEDK-UHFFFAOYSA-N 0 1 274.339 2.700 20 30 CFEDMN COCC#CCN(C)Cc1csc2ccccc12 ZINC000677133214 539555157 /nfs/dbraw/zinc/55/51/57/539555157.db2.gz NIOMWCBDJORSEG-UHFFFAOYSA-N 0 1 259.374 2.983 20 30 CFEDMN CC#CCN(Cc1ccccc1)C[C@H](O)c1ccco1 ZINC000084134882 347457577 /nfs/dbraw/zinc/45/75/77/347457577.db2.gz JQBVFFDCHRYLPD-INIZCTEOSA-N 0 1 269.344 2.839 20 30 CFEDMN N#CCC1(CN2CCN(c3ccccc3)CC2)CC1 ZINC000088259225 347500467 /nfs/dbraw/zinc/50/04/67/347500467.db2.gz HBYJJTZWRBZALO-UHFFFAOYSA-N 0 1 255.365 2.502 20 30 CFEDMN CCOC(=O)CCN(Cc1cc(C#N)cs1)C1CC1 ZINC000092532441 347631690 /nfs/dbraw/zinc/63/16/90/347631690.db2.gz MSHFCFAFAUQKHM-UHFFFAOYSA-N 0 1 278.377 2.537 20 30 CFEDMN CCOC(=O)CC[C@@H]1CCCN(Cc2ccc(C#N)o2)C1 ZINC000092093841 347609478 /nfs/dbraw/zinc/60/94/78/347609478.db2.gz POTKMGNFJHLUKK-ZDUSSCGKSA-N 0 1 290.363 2.707 20 30 CFEDMN CC(C)C[C@@H]1CCCN(CC(=O)N[C@@](C)(C#N)C(C)C)C1 ZINC000119251385 347800817 /nfs/dbraw/zinc/80/08/17/347800817.db2.gz TUSFVUMLOHKUBU-RDJZCZTQSA-N 0 1 293.455 2.799 20 30 CFEDMN C=CC[C@@H](C)NC(=O)NC[C@H](c1cccs1)N(C)C ZINC000116973695 347790241 /nfs/dbraw/zinc/79/02/41/347790241.db2.gz XSDUBKKIIKZPJI-VXGBXAGGSA-N 0 1 281.425 2.615 20 30 CFEDMN C#CCC(C)(C)C(=O)NC[C@H](c1cccc(F)c1)N(C)C ZINC000184930152 348128446 /nfs/dbraw/zinc/12/84/46/348128446.db2.gz MQHORJKTGSCWTN-OAHLLOKOSA-N 0 1 290.382 2.594 20 30 CFEDMN C=C[C@@H](CC(=O)NCc1cn[nH]c1C)c1ccccc1 ZINC000179117815 348121222 /nfs/dbraw/zinc/12/12/22/348121222.db2.gz SDPDGZFYXALSLN-ZDUSSCGKSA-N 0 1 269.348 2.694 20 30 CFEDMN CCN1CCN(c2nc(C(F)(F)F)ccc2C#N)C[C@H]1C ZINC000250366962 348287587 /nfs/dbraw/zinc/28/75/87/348287587.db2.gz UYXJDGHYIDPDAM-SNVBAGLBSA-N 0 1 298.312 2.502 20 30 CFEDMN COc1ccccc1O[C@@H]1CCCN(CCCC#N)C1 ZINC000286457459 348347517 /nfs/dbraw/zinc/34/75/17/348347517.db2.gz MWHHKGMUVVKUQA-CQSZACIVSA-N 0 1 274.364 2.842 20 30 CFEDMN CN(C)[C@@H](CNc1ncc(C#N)cc1F)c1ccsc1 ZINC000413048667 233011328 /nfs/dbraw/zinc/01/13/28/233011328.db2.gz SRAGEQVYSYVDFA-ZDUSSCGKSA-N 0 1 290.367 2.869 20 30 CFEDMN CC[C@@H]1CN(CCCOc2cccc(C#N)c2)[C@@H](C)CO1 ZINC000403836542 348587302 /nfs/dbraw/zinc/58/73/02/348587302.db2.gz OOWHSJGCPYKTDH-GOEBONIOSA-N 0 1 288.391 2.826 20 30 CFEDMN CC[C@@H]1COC(C)(C)CN1Cc1cccc(C#N)c1 ZINC000403955897 348588436 /nfs/dbraw/zinc/58/84/36/348588436.db2.gz ZPTXFKILEZMZBL-OAHLLOKOSA-N 0 1 258.365 2.948 20 30 CFEDMN CC[C@@H]1CN(Cc2ccc(C#N)cc2)[C@@H](CC)CO1 ZINC000403898234 348588541 /nfs/dbraw/zinc/58/85/41/348588541.db2.gz ULGSZESYXFAKEI-JKSUJKDBSA-N 0 1 258.365 2.948 20 30 CFEDMN C=CCn1c(C)cc(C(=O)CN(C)C2CCOCC2)c1C ZINC000531016507 348648713 /nfs/dbraw/zinc/64/87/13/348648713.db2.gz GPJQHIGFZAUENC-UHFFFAOYSA-N 0 1 290.407 2.584 20 30 CFEDMN C=CCC[C@H](O)CN[C@H](COCC(C)C)c1ccco1 ZINC000273466639 192162955 /nfs/dbraw/zinc/16/29/55/192162955.db2.gz DYLXKCBRWAXSMT-LSDHHAIUSA-N 0 1 281.396 2.910 20 30 CFEDMN Cc1nc([C@@H](C)Nc2nc(C(C)(C)C)ccc2C#N)n[nH]1 ZINC000588082456 348771354 /nfs/dbraw/zinc/77/13/54/348771354.db2.gz ATCQLJPEVXEUCB-SECBINFHSA-N 0 1 284.367 2.850 20 30 CFEDMN CN1CCN(C(=O)CCCCCC#N)C2(CCCCC2)C1 ZINC000588629040 348788568 /nfs/dbraw/zinc/78/85/68/348788568.db2.gz WMMFOMQAJGYWOB-UHFFFAOYSA-N 0 1 291.439 2.937 20 30 CFEDMN CN(Cc1ccccc1)C1CN(C(=O)CCCCCC#N)C1 ZINC000588765613 348795092 /nfs/dbraw/zinc/79/50/92/348795092.db2.gz XUYVNQAJHDYZRY-UHFFFAOYSA-N 0 1 299.418 2.803 20 30 CFEDMN CC[C@@](C)(C#N)C(=O)NCc1nc2ccc(Cl)cc2[nH]1 ZINC000586779384 348751224 /nfs/dbraw/zinc/75/12/24/348751224.db2.gz WMNDMCBQCSOPEZ-AWEZNQCLSA-N 0 1 290.754 2.772 20 30 CFEDMN CC(C)[C@@H](C#N)N1CCN(C[C@@H]2C[C@H]2c2ccccc2)CC1 ZINC000589742363 348854447 /nfs/dbraw/zinc/85/44/47/348854447.db2.gz MDWKUTRTXBXXDB-GBESFXJTSA-N 0 1 297.446 2.956 20 30 CFEDMN Cc1[nH]nc2cc(NC(=O)CC3(C#N)CC3)ccc12 ZINC000590320532 348893217 /nfs/dbraw/zinc/89/32/17/348893217.db2.gz JVKYNZLJTGYSTQ-UHFFFAOYSA-N 0 1 254.293 2.504 20 30 CFEDMN N#C[C@H]1CC[C@@H](N2CC(c3nc4ccccc4[nH]3)C2)C1 ZINC000590167683 348881948 /nfs/dbraw/zinc/88/19/48/348881948.db2.gz LTLHLTKPMFGCBW-WCQYABFASA-N 0 1 266.348 2.654 20 30 CFEDMN CCc1c(-c2ccncc2)n[nH]c1NC(=O)CC1(C#N)CC1 ZINC000590215321 348885472 /nfs/dbraw/zinc/88/54/72/348885472.db2.gz WFLVFUKTOVDVRB-UHFFFAOYSA-N 0 1 295.346 2.666 20 30 CFEDMN CC(C)c1nc(CN[C@@H]2CCCc3cc(C#N)ccc32)n[nH]1 ZINC000590779105 348947956 /nfs/dbraw/zinc/94/79/56/348947956.db2.gz QXWGEGPMEZUDAI-OAHLLOKOSA-N 0 1 295.390 2.967 20 30 CFEDMN COC(=O)c1cccc(CN2CC[C@H](C3CCC3)C2)c1C#N ZINC000591063025 348983058 /nfs/dbraw/zinc/98/30/58/348983058.db2.gz GYNFXTAMLUGYBW-AWEZNQCLSA-N 0 1 298.386 2.967 20 30 CFEDMN N#Cc1cccc([N+](=O)[O-])c1CN1CCC[C@@H]1C1CC1 ZINC000590951897 348971367 /nfs/dbraw/zinc/97/13/67/348971367.db2.gz OAFWCLNUAGTWPR-CQSZACIVSA-N 0 1 271.320 2.841 20 30 CFEDMN Cc1c(F)cccc1NC(=O)CCNCC(C)(C)C#N ZINC000591759266 349042010 /nfs/dbraw/zinc/04/20/10/349042010.db2.gz HHUUVFBASCVSNJ-UHFFFAOYSA-N 0 1 277.343 2.602 20 30 CFEDMN COCC#CCN1CCCC[C@@H]1CCC(=O)OC(C)(C)C ZINC000591849918 349050831 /nfs/dbraw/zinc/05/08/31/349050831.db2.gz YMQKESOCGZMSSP-OAHLLOKOSA-N 0 1 295.423 2.613 20 30 CFEDMN CCN(CCNC[C@@H](C#N)CCC#N)c1cccc(C)c1 ZINC000591723172 349039172 /nfs/dbraw/zinc/03/91/72/349039172.db2.gz JGOZVDFNPGDNNR-MRXNPFEDSA-N 0 1 284.407 2.854 20 30 CFEDMN N#Cc1cnccc1CN1CC[C@@H](c2ccccc2)C1 ZINC000592068115 349078460 /nfs/dbraw/zinc/07/84/60/349078460.db2.gz GRMJHDUTNHIWQD-MRXNPFEDSA-N 0 1 263.344 2.943 20 30 CFEDMN COCCN(Cc1ccncc1C#N)[C@H]1CC[C@H](C)C1 ZINC000592115261 349084966 /nfs/dbraw/zinc/08/49/66/349084966.db2.gz XGTUDDRZERVGQE-BBRMVZONSA-N 0 1 273.380 2.590 20 30 CFEDMN CCN(Cc1ccncc1C#N)[C@H]1CCOC(C)(C)C1 ZINC000592122866 349086593 /nfs/dbraw/zinc/08/65/93/349086593.db2.gz RRUGJGQBRCSYGV-HNNXBMFYSA-N 0 1 273.380 2.733 20 30 CFEDMN N#Cc1cc(F)cc(C2(c3nc([C@H]4CCCN4)no3)CC2)c1 ZINC000592356174 349107562 /nfs/dbraw/zinc/10/75/62/349107562.db2.gz FEYSFRIEWRJGDE-CYBMUJFWSA-N 0 1 298.321 2.585 20 30 CFEDMN N#CCn1c(-c2nc(C3(N)CCC3)no2)cc2ccccc21 ZINC000592354834 349107612 /nfs/dbraw/zinc/10/76/12/349107612.db2.gz JBUHSYGFKBZCLS-UHFFFAOYSA-N 0 1 293.330 2.553 20 30 CFEDMN N#CCCOCCNC1(c2ccccc2Cl)CC1 ZINC000592138217 349089539 /nfs/dbraw/zinc/08/95/39/349089539.db2.gz WQWSIQNWRFDURC-UHFFFAOYSA-N 0 1 264.756 2.849 20 30 CFEDMN CC(C)(C#N)c1ccc(-c2nc([C@@H]3CCCN3)no2)cc1 ZINC000592357216 349107674 /nfs/dbraw/zinc/10/76/74/349107674.db2.gz UZHWJEFABBVHCH-ZDUSSCGKSA-N 0 1 282.347 2.962 20 30 CFEDMN C[C@H](c1ccc(OC(F)F)cc1)N1CC[C@](O)(CC#N)C1 ZINC000592148249 349091641 /nfs/dbraw/zinc/09/16/41/349091641.db2.gz XAIRWFOZHWJAPK-IAQYHMDHSA-N 0 1 296.317 2.699 20 30 CFEDMN CC(C)(C)OC(=O)C1(C)CCN(CCCC#N)CC1 ZINC000592158101 349093672 /nfs/dbraw/zinc/09/36/72/349093672.db2.gz WNUVURINTCLISE-UHFFFAOYSA-N 0 1 266.385 2.734 20 30 CFEDMN N#CC[C@@H](Cc1nc([C@H]2CCCN2)no1)c1ccccc1 ZINC000592356191 349108123 /nfs/dbraw/zinc/10/81/23/349108123.db2.gz GLTNUVORKCFRBM-UONOGXRCSA-N 0 1 282.347 2.734 20 30 CFEDMN COc1ccccc1C1(N[C@@H]2CC[C@H](C#N)C2)CC1 ZINC000592394692 349114406 /nfs/dbraw/zinc/11/44/06/349114406.db2.gz RBOAAFPWMRRBDS-QWHCGFSZSA-N 0 1 256.349 2.966 20 30 CFEDMN N#C[C@@H]1CC[C@@H](N[C@@H](CCO)c2ccccc2F)C1 ZINC000592404002 349117779 /nfs/dbraw/zinc/11/77/79/349117779.db2.gz UGCZTNZGUZHWOI-JMSVASOKSA-N 0 1 262.328 2.531 20 30 CFEDMN Cc1cc2cc(CN3CC[C@@](O)(CC#N)C3)oc2cc1C ZINC000592522677 349132225 /nfs/dbraw/zinc/13/22/25/349132225.db2.gz POFXIRPSBDNDSR-KRWDZBQOSA-N 0 1 284.359 2.900 20 30 CFEDMN Cc1c(C#N)c(=NC(=O)c2cccc(C3CCC3)c2)[nH]n1C ZINC000592651025 349145803 /nfs/dbraw/zinc/14/58/03/349145803.db2.gz SMIATYQORRBFDK-UHFFFAOYSA-N 0 1 294.358 2.542 20 30 CFEDMN CC(C)c1cc(C(=O)N2CCC(CCC#N)CC2)n[nH]1 ZINC000592819672 349168853 /nfs/dbraw/zinc/16/88/53/349168853.db2.gz VYQKAKSWFDVGII-UHFFFAOYSA-N 0 1 274.368 2.689 20 30 CFEDMN N#Cc1ccc(CN2CC[C@]3(CC3(F)F)C2)cc1F ZINC000593115269 349212170 /nfs/dbraw/zinc/21/21/70/349212170.db2.gz BVLCSTQXGBDRJY-ZDUSSCGKSA-N 0 1 266.266 2.928 20 30 CFEDMN C=CCC[C@@H](O)CN1[C@H](C)CC[C@@H]1C(=O)OC(C)(C)C ZINC000593047724 349193544 /nfs/dbraw/zinc/19/35/44/349193544.db2.gz BJIUEHIXTGFRGO-MGPQQGTHSA-N 0 1 283.412 2.508 20 30 CFEDMN CC#CCCN1[C@@H](C)CC[C@H]1C(=O)OC(C)(C)C ZINC000593049639 349194140 /nfs/dbraw/zinc/19/41/40/349194140.db2.gz WHCUAUYHIYKWRX-STQMWFEESA-N 0 1 251.370 2.594 20 30 CFEDMN CC(C)c1cc(C(=O)N2Cc3cccc(C#N)c3C2)n[nH]1 ZINC000593890173 349333060 /nfs/dbraw/zinc/33/30/60/349333060.db2.gz AGWWVRXCDAOSLO-UHFFFAOYSA-N 0 1 280.331 2.561 20 30 CFEDMN CC1(C#N)CCN(CCc2noc3ccccc32)CC1 ZINC000593973076 349343471 /nfs/dbraw/zinc/34/34/71/349343471.db2.gz ZSILHZFWGRZRLC-UHFFFAOYSA-N 0 1 269.348 2.996 20 30 CFEDMN CC[C@H](C#N)N(C)C(=O)[C@@H](c1ccccc1)N(CC)CC ZINC000594096260 349376484 /nfs/dbraw/zinc/37/64/84/349376484.db2.gz ABJXMKINLHFTPO-HZPDHXFCSA-N 0 1 287.407 2.830 20 30 CFEDMN Cc1ncncc1[C@@H](C)N[C@H]1CCc2cc(C#N)ccc21 ZINC000594500340 349432008 /nfs/dbraw/zinc/43/20/08/349432008.db2.gz OXABDEKENIQTDP-PXAZEXFGSA-N 0 1 278.359 2.995 20 30 CFEDMN CCCCCc1cc(C(=O)N(C)C2(C#N)CCC2)n[nH]1 ZINC000596911446 350004776 /nfs/dbraw/zinc/00/47/76/350004776.db2.gz QOLNFRUDWPELAE-UHFFFAOYSA-N 0 1 274.368 2.661 20 30 CFEDMN Cc1[nH]ncc1C1CCN(C(=O)CCCCC#N)CC1 ZINC000594356142 349410592 /nfs/dbraw/zinc/41/05/92/349410592.db2.gz HMXLDPKIXSCTJO-UHFFFAOYSA-N 0 1 274.368 2.508 20 30 CFEDMN C[C@@H](Cc1cnc[nH]1)C(=O)N(C)[C@@H](C)c1cccc(C#N)c1 ZINC000594371123 349411719 /nfs/dbraw/zinc/41/17/19/349411719.db2.gz CNMGDUYVQQDFCU-STQMWFEESA-N 0 1 296.374 2.680 20 30 CFEDMN CCC(C)(C)N1CCN(C(=O)C2(C#N)CCCCC2)CC1 ZINC000594390308 349413462 /nfs/dbraw/zinc/41/34/62/349413462.db2.gz UOPCTWUDYHRIEU-UHFFFAOYSA-N 0 1 291.439 2.793 20 30 CFEDMN Cc1nn(C(C)C)cc1CN1CCC[C@H](CC#N)C1 ZINC000597177012 350045066 /nfs/dbraw/zinc/04/50/66/350045066.db2.gz LMYWQMYFTYBZIB-CQSZACIVSA-N 0 1 260.385 2.898 20 30 CFEDMN N#C[C@H]1CCCC[C@H]1NCc1ccc2[nH]cnc2c1 ZINC000597199229 350053544 /nfs/dbraw/zinc/05/35/44/350053544.db2.gz SXZDTYIZVWOYBF-CHWSQXEVSA-N 0 1 254.337 2.735 20 30 CFEDMN N#C[C@H]1CCCC[C@H]1NCc1ccc2nc[nH]c2c1 ZINC000597199229 350053548 /nfs/dbraw/zinc/05/35/48/350053548.db2.gz SXZDTYIZVWOYBF-CHWSQXEVSA-N 0 1 254.337 2.735 20 30 CFEDMN Cc1ccc2cc(CN3CC(CC#N)C3)ccc2n1 ZINC000597203550 350054093 /nfs/dbraw/zinc/05/40/93/350054093.db2.gz KNEIITMCNFJXKQ-UHFFFAOYSA-N 0 1 251.333 2.889 20 30 CFEDMN CCN1C[C@@H](C)N(C(=O)CC2(C#N)CCCCC2)C[C@H]1C ZINC000597466851 350100665 /nfs/dbraw/zinc/10/06/65/350100665.db2.gz INTRVEPAPBGPCM-HUUCEWRRSA-N 0 1 291.439 2.792 20 30 CFEDMN CC[C@@H]1CN(C(=O)[C@@H](C)CC#N)CCN1Cc1ccccc1 ZINC000597503214 350106079 /nfs/dbraw/zinc/10/60/79/350106079.db2.gz BBNIZYAINPCPRM-DOTOQJQBSA-N 0 1 299.418 2.659 20 30 CFEDMN C[C@@H](CC#N)C(=O)Nc1cc(F)cc(Cl)c1O ZINC000597520874 350107903 /nfs/dbraw/zinc/10/79/03/350107903.db2.gz MIYXIZVXNAHGLO-LURJTMIESA-N 0 1 256.664 2.673 20 30 CFEDMN C[C@@H]1CN(Cc2ccc(C#N)o2)CCN1Cc1ccccc1 ZINC000414513968 233277928 /nfs/dbraw/zinc/27/79/28/233277928.db2.gz QKSPDEYOBVGYQY-OAHLLOKOSA-N 0 1 295.386 2.858 20 30 CFEDMN N#CCCCCC(=O)Nc1c(=O)[nH][nH]c1-c1ccccc1 ZINC000597696687 350124997 /nfs/dbraw/zinc/12/49/97/350124997.db2.gz XBVFFGFTRWKJPC-UHFFFAOYSA-N 0 1 284.319 2.805 20 30 CFEDMN CC(C)(C#N)C[C@H](O)CN1CC(C)(C)[C@H]1c1cccnc1 ZINC000598629188 350297633 /nfs/dbraw/zinc/29/76/33/350297633.db2.gz YZCKCHMBDWMIFQ-LSDHHAIUSA-N 0 1 287.407 2.765 20 30 CFEDMN CC(C)(C#N)C[C@H](O)CN1CCO[C@H](C2CCCCC2)C1 ZINC000598604661 350291829 /nfs/dbraw/zinc/29/18/29/350291829.db2.gz OZWAKINUSTWLKD-HOTGVXAUSA-N 0 1 294.439 2.568 20 30 CFEDMN Cc1ccc(C#N)cc1NC(=O)[C@H]1C[C@H](C)Cc2cn[nH]c21 ZINC000598932649 350347711 /nfs/dbraw/zinc/34/77/11/350347711.db2.gz OVUJEUOFBKBMIH-YGRLFVJLSA-N 0 1 294.358 2.894 20 30 CFEDMN Cc1cccc2c1C[C@@H](NCc1ccc(C#N)o1)CO2 ZINC000598988189 350354819 /nfs/dbraw/zinc/35/48/19/350354819.db2.gz YZGUESWNWSWEGS-GFCCVEGCSA-N 0 1 268.316 2.553 20 30 CFEDMN Cc1c(CN(C)Cc2ccc(C)c(C#N)c2)cnn1C ZINC000599393730 350430369 /nfs/dbraw/zinc/43/03/69/350430369.db2.gz RWQLDIJPDFXGSI-UHFFFAOYSA-N 0 1 268.364 2.541 20 30 CFEDMN N#Cc1ccc(N2CCC[C@@H](N(C3CC3)C3CC3)C2=O)cc1 ZINC000599599560 350463256 /nfs/dbraw/zinc/46/32/56/350463256.db2.gz LQONPKVXTMKZSA-QGZVFWFLSA-N 0 1 295.386 2.680 20 30 CFEDMN C=CCC1(NCc2oncc2C(=O)OC)CCCCC1 ZINC000599608839 350463263 /nfs/dbraw/zinc/46/32/63/350463263.db2.gz CAGWFVBMBQQQCJ-UHFFFAOYSA-N 0 1 278.352 2.830 20 30 CFEDMN N#CC1(C[C@@H](O)CN2CC[C@@H]2c2ccc(F)cc2)CC1 ZINC000599465765 350441019 /nfs/dbraw/zinc/44/10/19/350441019.db2.gz QPGFQQMZRNULAV-HUUCEWRRSA-N 0 1 274.339 2.627 20 30 CFEDMN COC(=O)[C@@H]1CC[N@@H+](CC#Cc2ccccc2)[C@@H]2CCC[C@@H]21 ZINC000599657188 350474795 /nfs/dbraw/zinc/47/47/95/350474795.db2.gz WRMXPMJMXCTHOJ-KZNAEPCWSA-N 0 1 297.398 2.702 20 30 CFEDMN COC(=O)[C@@H]1CCN(CC#Cc2ccccc2)[C@@H]2CCC[C@@H]21 ZINC000599657188 350474797 /nfs/dbraw/zinc/47/47/97/350474797.db2.gz WRMXPMJMXCTHOJ-KZNAEPCWSA-N 0 1 297.398 2.702 20 30 CFEDMN C[C@H](CCC#N)N1CCc2c(CC#N)cccc2C1 ZINC000599677816 350479919 /nfs/dbraw/zinc/47/99/19/350479919.db2.gz LWGYTEWBJZKWFB-CYBMUJFWSA-N 0 1 253.349 2.803 20 30 CFEDMN CN(Cc1ccc(F)cc1C#N)C[C@H]1CCCOC1 ZINC000107690596 186186249 /nfs/dbraw/zinc/18/62/49/186186249.db2.gz LDSPSONGCJUOMT-GFCCVEGCSA-N 0 1 262.328 2.556 20 30 CFEDMN Cc1ccc(C[N@@H+]2C[C@H](C(=O)[O-])CC[C@H]2C)cc1C#N ZINC000600706286 350598089 /nfs/dbraw/zinc/59/80/89/350598089.db2.gz DQFFNDRAVPPOFL-TZMCWYRMSA-N 0 1 272.348 2.552 20 30 CFEDMN Cc1ccc(C[N@@H+]2CCC[C@@H](C)[C@H]2C(=O)[O-])cc1C#N ZINC000600711049 350599044 /nfs/dbraw/zinc/59/90/44/350599044.db2.gz XCGWWYLZHZBQTP-DOMZBBRYSA-N 0 1 272.348 2.552 20 30 CFEDMN N#CC1(CNC[C@@H](O)Cc2ccc(F)cc2)CCCCC1 ZINC000600755923 350606353 /nfs/dbraw/zinc/60/63/53/350606353.db2.gz QCANHUCUIZEMBI-INIZCTEOSA-N 0 1 290.382 2.793 20 30 CFEDMN C[C@@H](NCc1ccc(C2(C#N)CC2)cc1)[C@@H](O)C(F)(F)F ZINC000601152536 350682649 /nfs/dbraw/zinc/68/26/49/350682649.db2.gz FKHFGCORRWMMDZ-ZWNOBZJWSA-N 0 1 298.308 2.643 20 30 CFEDMN C[C@H](NCc1ccc(C2(C#N)CC2)cc1)[C@H](O)C(F)(F)F ZINC000601152531 350682971 /nfs/dbraw/zinc/68/29/71/350682971.db2.gz FKHFGCORRWMMDZ-GWCFXTLKSA-N 0 1 298.308 2.643 20 30 CFEDMN CC[C@@H]1CN(C)CCN1c1ncc(C#N)c2ccsc21 ZINC000601169244 350687406 /nfs/dbraw/zinc/68/74/06/350687406.db2.gz KKOWMEFYOVIZBV-GFCCVEGCSA-N 0 1 286.404 2.698 20 30 CFEDMN CCCCNc1cc(C)nc(N2CCC[C@H](CC#N)C2)n1 ZINC000601190791 350692921 /nfs/dbraw/zinc/69/29/21/350692921.db2.gz FSAKVAATUWEVHK-CQSZACIVSA-N 0 1 287.411 2.549 20 30 CFEDMN CCCCNc1cc(C)nc(N2CCC[C@@H](CC#N)C2)n1 ZINC000601190790 350692971 /nfs/dbraw/zinc/69/29/71/350692971.db2.gz FSAKVAATUWEVHK-AWEZNQCLSA-N 0 1 287.411 2.549 20 30 CFEDMN Cc1[nH]n(-c2cc(C#N)ccc2Br)c(=O)c1C ZINC000601945822 350813864 /nfs/dbraw/zinc/81/38/64/350813864.db2.gz BHCFYVAQWMLXQI-SSDOTTSWSA-N 0 1 292.136 2.679 20 30 CFEDMN C[C@@H]1CCc2[nH]n(Cc3ccc(C#N)cc3)c(=O)c2C1 ZINC000601947425 350814263 /nfs/dbraw/zinc/81/42/63/350814263.db2.gz RRQNHEPWHMIJRY-BXUZGUMPSA-N 0 1 267.332 2.693 20 30 CFEDMN N#CC1(C[C@@H](O)CN2CC3(CCC3)[C@H]2c2ccncc2)CC1 ZINC000601960683 350819604 /nfs/dbraw/zinc/81/96/04/350819604.db2.gz SAUWQYMUSZTVFS-HZPDHXFCSA-N 0 1 297.402 2.663 20 30 CFEDMN C[C@@H](c1ccc(C#N)cc1)N(C)[C@@H]1CCCCN(C)C1=O ZINC000601970842 350821659 /nfs/dbraw/zinc/82/16/59/350821659.db2.gz QNJXAAFTPNTFPK-XJKSGUPXSA-N 0 1 285.391 2.562 20 30 CFEDMN Cc1cc(C#N)ccc1CN1CCO[C@H](C(F)F)CC1 ZINC000601975120 350822365 /nfs/dbraw/zinc/82/23/65/350822365.db2.gz LQIOGYVILHINQZ-AWEZNQCLSA-N 0 1 280.318 2.723 20 30 CFEDMN CN(C(=O)c1cc(-c2ccccc2)[nH]n1)[C@H]1CCC[C@@H]1C#N ZINC000601823099 350786578 /nfs/dbraw/zinc/78/65/78/350786578.db2.gz WTPWNDZJOLAKIT-CJNGLKHVSA-N 0 1 294.358 2.841 20 30 CFEDMN CC[C@@](C)(C#N)C(=O)N[C@H]1CCN(Cc2cccc(C)c2)C1 ZINC000601851668 350791850 /nfs/dbraw/zinc/79/18/50/350791850.db2.gz VZQGRHQTXQKBIA-WMZOPIPTSA-N 0 1 299.418 2.625 20 30 CFEDMN Cc1[nH]n(-c2cc(C)ccc2F)c(=O)c1CCC#N ZINC000601944456 350812568 /nfs/dbraw/zinc/81/25/68/350812568.db2.gz HBPKIELHRQGWMH-NSHDSACASA-N 0 1 259.284 2.777 20 30 CFEDMN C[C@H]1CCc2[nH]n(Cc3cccc(C#N)c3)c(=O)c2C1 ZINC000601944564 350812619 /nfs/dbraw/zinc/81/26/19/350812619.db2.gz LNPMEFWBIXTWJC-FZMZJTMJSA-N 0 1 267.332 2.693 20 30 CFEDMN Cc1[nH]n(-c2cc(C#N)ccc2Br)c(=O)c1C ZINC000601945824 350813783 /nfs/dbraw/zinc/81/37/83/350813783.db2.gz BHCFYVAQWMLXQI-ZETCQYMHSA-N 0 1 292.136 2.679 20 30 CFEDMN C[C@@H](CNCc1cccc(F)c1C#N)C(=O)OC(C)(C)C ZINC000602027997 350835080 /nfs/dbraw/zinc/83/50/80/350835080.db2.gz LFZNEAGFRPUKNB-NSHDSACASA-N 0 1 292.354 2.765 20 30 CFEDMN CC[C@H](C)[C@H](CNCc1cccc(F)c1C#N)OC ZINC000602024437 350835220 /nfs/dbraw/zinc/83/52/20/350835220.db2.gz MRQCWZBOTWSTNB-NHYWBVRUSA-N 0 1 264.344 2.848 20 30 CFEDMN C[C@@H](CC1(C#N)CCOCC1)NCc1cn2ccccc2n1 ZINC000602505383 350908242 /nfs/dbraw/zinc/90/82/42/350908242.db2.gz XUVXMJHBPDEZBF-AWEZNQCLSA-N 0 1 298.390 2.523 20 30 CFEDMN CCOC(=O)c1ccc(CN[C@@H](C)c2ccc(C#N)cc2)[nH]1 ZINC000602508359 350909415 /nfs/dbraw/zinc/90/94/15/350909415.db2.gz BJKQLGMZDDPTET-LBPRGKRZSA-N 0 1 297.358 2.914 20 30 CFEDMN C=C(CNCc1cc(C(=O)OCC)no1)c1ccccc1 ZINC000602528017 350915160 /nfs/dbraw/zinc/91/51/60/350915160.db2.gz LXBLTAYFTULIBY-UHFFFAOYSA-N 0 1 286.331 2.654 20 30 CFEDMN N#Cc1cccc(CN[C@@H]2CCc3ccc(F)cc32)n1 ZINC000602541060 350918431 /nfs/dbraw/zinc/91/84/31/350918431.db2.gz ZDFOCFHQEGICCQ-MRXNPFEDSA-N 0 1 267.307 2.869 20 30 CFEDMN CCOC(=O)c1ccc(CN[C@H](C)c2cccc(C#N)c2)[nH]1 ZINC000602567823 350927630 /nfs/dbraw/zinc/92/76/30/350927630.db2.gz OKJMMWGFFROMMC-GFCCVEGCSA-N 0 1 297.358 2.914 20 30 CFEDMN N#Cc1cccc(CN[C@H](c2cccnc2)C2CC2)n1 ZINC000602581882 350933424 /nfs/dbraw/zinc/93/34/24/350933424.db2.gz TXVXMVYIVXNSAG-INIZCTEOSA-N 0 1 264.332 2.589 20 30 CFEDMN N#Cc1cccc(CN[C@@H](c2cccnc2)C2CC2)n1 ZINC000602581885 350933645 /nfs/dbraw/zinc/93/36/45/350933645.db2.gz TXVXMVYIVXNSAG-MRXNPFEDSA-N 0 1 264.332 2.589 20 30 CFEDMN C[C@@H](CCC#N)CN1CCO[C@H](c2ccccc2)C1 ZINC000602437432 350882890 /nfs/dbraw/zinc/88/28/90/350882890.db2.gz XJUIILJSUKFPPA-HOCLYGCPSA-N 0 1 258.365 3.000 20 30 CFEDMN Cc1cccc(CN(C)Cc2cccc(C#N)n2)c1 ZINC000602440857 350883599 /nfs/dbraw/zinc/88/35/99/350883599.db2.gz LYBRNJROFJWWSE-UHFFFAOYSA-N 0 1 251.333 2.894 20 30 CFEDMN COCC[N@@H+](CCC[C@@H]1CCO1)Cc1ccc(C#N)cc1 ZINC000602445924 350885854 /nfs/dbraw/zinc/88/58/54/350885854.db2.gz YRWSJWNRVRSTNW-QGZVFWFLSA-N 0 1 288.391 2.576 20 30 CFEDMN C[C@H](C#N)CN(C)C[C@H]1CCN(c2ccccc2)C1 ZINC000602447231 350887394 /nfs/dbraw/zinc/88/73/94/350887394.db2.gz LSPDBYAKDYQLLR-HUUCEWRRSA-N 0 1 257.381 2.604 20 30 CFEDMN C[C@H](CCC#N)CN1CCC[C@H]1C(=O)OC(C)(C)C ZINC000602464116 350891681 /nfs/dbraw/zinc/89/16/81/350891681.db2.gz JUHTWOOOICRNMO-OLZOCXBDSA-N 0 1 266.385 2.732 20 30 CFEDMN C[C@@H](CCC#N)CN[C@@H](C)c1nc(C(C)(C)C)no1 ZINC000602641459 350958014 /nfs/dbraw/zinc/95/80/14/350958014.db2.gz FGPYCDHXLKLXNA-QWRGUYRKSA-N 0 1 264.373 2.958 20 30 CFEDMN C[C@@H](CCC#N)CN1CCc2nnn(C3CC(C)C3)c2C1 ZINC000602739995 351010065 /nfs/dbraw/zinc/01/00/65/351010065.db2.gz PHJCDJGTXVSARX-HSBZDZAISA-N 0 1 287.411 2.547 20 30 CFEDMN CSC[C@H]1CCCN(Cc2cccc(C#N)n2)C1 ZINC000602670564 350969803 /nfs/dbraw/zinc/96/98/03/350969803.db2.gz PNCUGDLMSORSEA-LBPRGKRZSA-N 0 1 261.394 2.528 20 30 CFEDMN C[C@H](CC1(C#N)CCOCC1)N[C@@H]1C[C@H](C)n2ccnc21 ZINC000602681730 350975853 /nfs/dbraw/zinc/97/58/53/350975853.db2.gz LEPHKJUWWROFHO-HZSPNIEDSA-N 0 1 288.395 2.577 20 30 CFEDMN N#CC[C@@]1(O)CCN(Cc2ccc(CC(F)(F)F)cc2)C1 ZINC000602697395 350984510 /nfs/dbraw/zinc/98/45/10/350984510.db2.gz PHHXLRIHMBFBRY-CQSZACIVSA-N 0 1 298.308 2.642 20 30 CFEDMN C=CCCSCCNCc1cc(C2CC2)no1 ZINC000602711650 350993884 /nfs/dbraw/zinc/99/38/84/350993884.db2.gz UDWIOKGWQUJHNR-UHFFFAOYSA-N 0 1 252.383 2.951 20 30 CFEDMN CC[C@H](C)[C@H](CN1Cc2ccc(C#N)cc2C1)OC ZINC000602712945 350994767 /nfs/dbraw/zinc/99/47/67/350994767.db2.gz WRAIYGDGRYNIMC-LRDDRELGSA-N 0 1 258.365 2.935 20 30 CFEDMN C[C@H](CCC#N)CN1C[C@@H](CC(F)(F)F)O[C@@H](C)C1 ZINC000602716999 350997079 /nfs/dbraw/zinc/99/70/79/350997079.db2.gz KDXJVTSHHPHORT-GRYCIOLGSA-N 0 1 278.318 2.968 20 30 CFEDMN N#CCCCNCc1c(C(F)(F)F)nc2n1CCCC2 ZINC000602605239 350942336 /nfs/dbraw/zinc/94/23/36/350942336.db2.gz VYVFMMGBGBZMJM-UHFFFAOYSA-N 0 1 286.301 2.632 20 30 CFEDMN N#Cc1ccc2ncc(CN3CCC(CCF)CC3)n2c1 ZINC000602734231 351006401 /nfs/dbraw/zinc/00/64/01/351006401.db2.gz OSIZCBFPXUVXCP-UHFFFAOYSA-N 0 1 286.354 2.778 20 30 CFEDMN C[C@H](C#N)CN[C@@H]1C[C@@H](OC(C)(C)C)C12CCC2 ZINC000602608908 350944511 /nfs/dbraw/zinc/94/45/11/350944511.db2.gz ZCBMMBGYPNZCHS-JHJVBQTASA-N 0 1 250.386 2.862 20 30 CFEDMN CCC1(CC)CN(C[C@H](C)CCC#N)CC[S@@]1=O ZINC000602619515 350949165 /nfs/dbraw/zinc/94/91/65/350949165.db2.gz OMTVCMWSLZSNEK-ACJLOTCBSA-N 0 1 270.442 2.549 20 30 CFEDMN COCC[N@@H+](CCc1ccccc1)CC1(CC#N)CC1 ZINC000602765382 351017244 /nfs/dbraw/zinc/01/72/44/351017244.db2.gz KRPFWZDAQAYBPI-UHFFFAOYSA-N 0 1 272.392 2.871 20 30 CFEDMN N#C[C@@H](Cc1ccccc1)Sc1nc(C2CC2)n[nH]1 ZINC000602813774 351035685 /nfs/dbraw/zinc/03/56/85/351035685.db2.gz YOCNOFVAUSNQLG-GFCCVEGCSA-N 0 1 270.361 2.909 20 30 CFEDMN CCC[C@@]1(C(=O)OCC)CCCN1CC1(CC#N)CC1 ZINC000602818679 351036994 /nfs/dbraw/zinc/03/69/94/351036994.db2.gz MZYUNVVRIBMDAQ-INIZCTEOSA-N 0 1 278.396 2.878 20 30 CFEDMN CCc1nc([C@H](C)Nc2snc(Cl)c2C#N)n[nH]1 ZINC000271425279 191129389 /nfs/dbraw/zinc/12/93/89/191129389.db2.gz VRCRGJPEVNMCLX-YFKPBYRVSA-N 0 1 282.760 2.522 20 30 CFEDMN C[C@H]1CN(Cc2ccc3ncccc3c2)C[C@H](C)N1CC#N ZINC000602853561 351045889 /nfs/dbraw/zinc/04/58/89/351045889.db2.gz KAKHBOOHESSARI-GJZGRUSLSA-N 0 1 294.402 2.653 20 30 CFEDMN C[C@@H]1CN(CCCCC(F)(F)F)C[C@@H](C)N1CC#N ZINC000602853819 351046425 /nfs/dbraw/zinc/04/64/25/351046425.db2.gz MAPFMJMQZOGBRI-VXGBXAGGSA-N 0 1 277.334 2.637 20 30 CFEDMN C[C@H](c1ccc(F)cc1)N1C[C@@H](C)N(CC#N)[C@H](C)C1 ZINC000602856522 351047552 /nfs/dbraw/zinc/04/75/52/351047552.db2.gz MWERVQINUGZHGF-MGPQQGTHSA-N 0 1 275.371 2.805 20 30 CFEDMN N#Cc1cccc(CN2CCC[C@H]2c2cn[nH]c2)c1 ZINC000602879836 351056036 /nfs/dbraw/zinc/05/60/36/351056036.db2.gz GDTGYYMRYUGQHF-HNNXBMFYSA-N 0 1 252.321 2.618 20 30 CFEDMN Cc1noc(C)c1CN1CCC(c2ccc(C#N)cn2)CC1 ZINC000602906979 351062394 /nfs/dbraw/zinc/06/23/94/351062394.db2.gz JPUKWZKBYJWOIU-UHFFFAOYSA-N 0 1 296.374 2.938 20 30 CFEDMN N#Cc1ccc(C2CCN(Cc3cccnc3)CC2)nc1 ZINC000602909707 351063365 /nfs/dbraw/zinc/06/33/65/351063365.db2.gz LXKFSZDQYFMRCC-UHFFFAOYSA-N 0 1 278.359 2.728 20 30 CFEDMN CN(CCC(=O)Nc1ccccc1F)[C@H]1CCC[C@H]1C#N ZINC000602975719 351077201 /nfs/dbraw/zinc/07/72/01/351077201.db2.gz GIXGBKSQASFMBX-WFASDCNBSA-N 0 1 289.354 2.778 20 30 CFEDMN CN(C[C@H](O)CC1CCCC1)[C@H]1CCC[C@H]1C#N ZINC000602979742 351081419 /nfs/dbraw/zinc/08/14/19/351081419.db2.gz HSZNHWOABSNYLH-ZNMIVQPWSA-N 0 1 250.386 2.552 20 30 CFEDMN CC(C)Cc1ccc(C(=O)NC2(C#N)CCN(C)CC2)cc1 ZINC000603885018 351189927 /nfs/dbraw/zinc/18/99/27/351189927.db2.gz RGPQHQZGERFGMR-UHFFFAOYSA-N 0 1 299.418 2.603 20 30 CFEDMN C=CCSCCNC(=O)c1ccc(CN(CC)CC)o1 ZINC000604487380 351214586 /nfs/dbraw/zinc/21/45/86/351214586.db2.gz JSENSMMEBVACCL-UHFFFAOYSA-N 0 1 296.436 2.770 20 30 CFEDMN CC(C)(C)c1nc(CNC2CCN(CC#N)CC2)cs1 ZINC000609335120 351496828 /nfs/dbraw/zinc/49/68/28/351496828.db2.gz VGBFANVBIHYROO-UHFFFAOYSA-N 0 1 292.452 2.518 20 30 CFEDMN N#Cc1ccc(NCc2nc3ccc(Cl)cc3[nH]2)nc1 ZINC000609496715 351504410 /nfs/dbraw/zinc/50/44/10/351504410.db2.gz OSYJFGCNBVJJTN-UHFFFAOYSA-N 0 1 283.722 2.517 20 30 CFEDMN N#Cc1ccc(CNc2cnn(-c3ccncc3)c2)cc1 ZINC000608982674 351482714 /nfs/dbraw/zinc/48/27/14/351482714.db2.gz FPYVGUPDNDZOTQ-UHFFFAOYSA-N 0 1 275.315 2.751 20 30 CFEDMN CN1CCC(C#N)(NC(=O)CC/C=C/c2ccccc2)CC1 ZINC000609988409 351529524 /nfs/dbraw/zinc/52/95/24/351529524.db2.gz HENNORHGHRJPRU-WEVVVXLNSA-N 0 1 297.402 2.584 20 30 CFEDMN Cc1cc(NC2CCN(CC#N)CC2)c2cc(F)ccc2n1 ZINC000610807805 351610892 /nfs/dbraw/zinc/61/08/92/351610892.db2.gz DOUHALZNCGLHTB-UHFFFAOYSA-N 0 1 298.365 2.504 20 30 CFEDMN CCC[C@H](C)NC(=O)[C@H](C)N[C@@H](C)c1cccc(C#N)c1 ZINC000610345870 351557103 /nfs/dbraw/zinc/55/71/03/351557103.db2.gz BBVXYQCAAPYFMG-IHRRRGAJSA-N 0 1 287.407 2.902 20 30 CFEDMN Cc1cc(NC(=O)[C@H](C)N[C@@H](C)c2cccc(C#N)c2)on1 ZINC000610345856 351557178 /nfs/dbraw/zinc/55/71/78/351557178.db2.gz AJSWXGYHUANTBU-RYUDHWBXSA-N 0 1 298.346 2.533 20 30 CFEDMN CCC(CC)C(=O)N1CCN(CC(C)(C)CCC#N)CC1 ZINC000611254844 351658556 /nfs/dbraw/zinc/65/85/56/351658556.db2.gz JFBTZFYSQBAGBS-UHFFFAOYSA-N 0 1 293.455 2.897 20 30 CFEDMN N#Cc1ccc(CN2CCC[C@@H](n3ccnc3)C2)s1 ZINC000611268117 351660686 /nfs/dbraw/zinc/66/06/86/351660686.db2.gz OOSNXYFNUUAZND-GFCCVEGCSA-N 0 1 272.377 2.653 20 30 CFEDMN COc1ccc(CN2CCC[C@H](n3ccnc3)C2)cc1C#N ZINC000610992575 351630109 /nfs/dbraw/zinc/63/01/09/351630109.db2.gz RURUXFNNHBAFCN-INIZCTEOSA-N 0 1 296.374 2.600 20 30 CFEDMN N#Cc1cc(CN2CCS[C@@H]3CCCC[C@@H]32)ccn1 ZINC000610994514 351631466 /nfs/dbraw/zinc/63/14/66/351631466.db2.gz IPQHPSSTFFGYFN-LSDHHAIUSA-N 0 1 273.405 2.813 20 30 CFEDMN N#Cc1cccc(CN2CCC3(CCOC3)CC2)c1F ZINC000611374281 351677151 /nfs/dbraw/zinc/67/71/51/351677151.db2.gz SCTHLEMEGMDHIP-UHFFFAOYSA-N 0 1 274.339 2.700 20 30 CFEDMN C[C@H](NCC(=O)N[C@H]1CCCC[C@H]1C)c1cccc(C#N)c1 ZINC000611389239 351679198 /nfs/dbraw/zinc/67/91/98/351679198.db2.gz QVUCVAASWNLTJZ-KEYYUXOJSA-N 0 1 299.418 2.904 20 30 CFEDMN CC(C)N(C(=O)CN[C@@H](C)c1cccc(C#N)c1)C(C)C ZINC000611387605 351679215 /nfs/dbraw/zinc/67/92/15/351679215.db2.gz DEDLTOLTNTYFTM-AWEZNQCLSA-N 0 1 287.407 2.854 20 30 CFEDMN Cc1cc(CN[C@H](C)c2ccc(C#N)c(F)c2)[nH]n1 ZINC000611465863 351693331 /nfs/dbraw/zinc/69/33/31/351693331.db2.gz WPIZONILKPVQQO-SNVBAGLBSA-N 0 1 258.300 2.580 20 30 CFEDMN Cc1cc(CN[C@H](C)c2ccc(C#N)c(F)c2)n[nH]1 ZINC000611465863 351693335 /nfs/dbraw/zinc/69/33/35/351693335.db2.gz WPIZONILKPVQQO-SNVBAGLBSA-N 0 1 258.300 2.580 20 30 CFEDMN CC[C@@H](c1ccncc1)N(C)Cc1ccnc(C#N)c1 ZINC000611281984 351663494 /nfs/dbraw/zinc/66/34/94/351663494.db2.gz VLOWBMNWSONPKZ-INIZCTEOSA-N 0 1 266.348 2.931 20 30 CFEDMN N#Cc1ccc(OCCN2CCC[C@H](OC(F)F)C2)cc1 ZINC000611578738 351710990 /nfs/dbraw/zinc/71/09/90/351710990.db2.gz RIKDPIVDWXPQMC-AWEZNQCLSA-N 0 1 296.317 2.641 20 30 CFEDMN N#CCc1ccc(CN2CCC[C@@H](OC(F)F)C2)cc1 ZINC000612121533 351778253 /nfs/dbraw/zinc/77/82/53/351778253.db2.gz BPNLJFIPNRULJM-CQSZACIVSA-N 0 1 280.318 2.956 20 30 CFEDMN N#Cc1ccc(CN2CCN(CCc3ccccc3)CC2)o1 ZINC000122314750 187026448 /nfs/dbraw/zinc/02/64/48/187026448.db2.gz QQIMSLYRNKIIRN-UHFFFAOYSA-N 0 1 295.386 2.512 20 30 CFEDMN Cc1cccc(NC(=O)C[C@@H](C)NCC(C)(C)C#N)c1 ZINC000612585411 351839481 /nfs/dbraw/zinc/83/94/81/351839481.db2.gz BJTDRKCTXFTVIA-CYBMUJFWSA-N 0 1 273.380 2.852 20 30 CFEDMN C#CCN(CC)C[C@@H](O)c1ccc(C(F)(F)F)cc1 ZINC000291958150 198116847 /nfs/dbraw/zinc/11/68/47/198116847.db2.gz RCTLPVTWCNWKBG-CYBMUJFWSA-N 0 1 271.282 2.694 20 30 CFEDMN Cc1cc(C#N)ccc1CN[C@@H](CO)c1ccsc1 ZINC000614405805 352090716 /nfs/dbraw/zinc/09/07/16/352090716.db2.gz HPBMSIXAGZEGIH-HNNXBMFYSA-N 0 1 272.373 2.751 20 30 CFEDMN C=CCCc1ccccc1NC(=O)[C@@H]1CCCc2n[nH]nc21 ZINC000614479432 352098444 /nfs/dbraw/zinc/09/84/44/352098444.db2.gz JLCLSWRIDKZTSV-CYBMUJFWSA-N 0 1 296.374 2.982 20 30 CFEDMN C[C@H]1CCN(Cc2ccc(C(C)(C)C#N)cc2)[C@H](C(N)=O)C1 ZINC000614597580 352106365 /nfs/dbraw/zinc/10/63/65/352106365.db2.gz ZMMQCAKWPHIXOG-BBRMVZONSA-N 0 1 299.418 2.574 20 30 CFEDMN C[C@@H](NCc1ccc(C#N)cn1)c1cccc(C#N)c1 ZINC000615093033 352152690 /nfs/dbraw/zinc/15/26/90/352152690.db2.gz JIZPMIHFFZFWQP-GFCCVEGCSA-N 0 1 262.316 2.676 20 30 CFEDMN COCCN(CCC#N)C[C@@H]1C(C)=CCC[C@H]1C ZINC000615504234 352199688 /nfs/dbraw/zinc/19/96/88/352199688.db2.gz UAUYXIAVALCRJZ-HUUCEWRRSA-N 0 1 250.386 2.841 20 30 CFEDMN CC(C)CCn1nccc1NC(=O)c1ccc(C#N)c(O)c1 ZINC000615423309 352192112 /nfs/dbraw/zinc/19/21/12/352192112.db2.gz XONAKUHRNASNIZ-UHFFFAOYSA-N 0 1 298.346 2.759 20 30 CFEDMN CCc1ccccc1CN1CCN([C@H](C#N)C(C)C)CC1 ZINC000614992009 352139524 /nfs/dbraw/zinc/13/95/24/352139524.db2.gz VZYNIBQYCLCHQG-GOSISDBHSA-N 0 1 285.435 2.915 20 30 CFEDMN C#CC[C@H](N[C@H](C)c1cnn(C)c1)c1ccccc1 ZINC000271546038 191203756 /nfs/dbraw/zinc/20/37/56/191203756.db2.gz RKUSLNRPGOLENG-CJNGLKHVSA-N 0 1 253.349 2.835 20 30 CFEDMN C=CC[C@H]1CCCC[C@H]1NC(=O)c1[nH]nc2c1CCC2 ZINC000617036987 352473647 /nfs/dbraw/zinc/47/36/47/352473647.db2.gz HAPDLDROBJJCGE-WCQYABFASA-N 0 1 273.380 2.763 20 30 CFEDMN C=CC[C@@H]1CCCN(C(=O)c2ccc3cncn3c2)C1 ZINC000617778653 352642606 /nfs/dbraw/zinc/64/26/06/352642606.db2.gz LIWYBWGQAHHCDJ-CYBMUJFWSA-N 0 1 269.348 2.763 20 30 CFEDMN C=CC[C@@H]1CCCN(C(=O)c2ccc(-c3nnc[nH]3)cc2)C1 ZINC000617780378 352643960 /nfs/dbraw/zinc/64/39/60/352643960.db2.gz UQNNYWOFHBPNTJ-CYBMUJFWSA-N 0 1 296.374 2.900 20 30 CFEDMN N#Cc1ccc(CN2CCC23CCOCC3)c(Cl)c1 ZINC000618316878 352751737 /nfs/dbraw/zinc/75/17/37/352751737.db2.gz XNXKFRGRFHIFQC-UHFFFAOYSA-N 0 1 276.767 2.967 20 30 CFEDMN Cn1nc(CN[C@H]2CCC[C@@H](C#N)C2)c2ccccc21 ZINC000618575460 352816451 /nfs/dbraw/zinc/81/64/51/352816451.db2.gz GXOWQRNAQMSGDQ-OLZOCXBDSA-N 0 1 268.364 2.745 20 30 CFEDMN CN(C)c1ncc(CN[C@@H]2CCc3cc(C#N)ccc32)s1 ZINC000618742411 352876101 /nfs/dbraw/zinc/87/61/01/352876101.db2.gz YHPCXSHQBVNHQY-OAHLLOKOSA-N 0 1 298.415 2.858 20 30 CFEDMN C=CCC1(NC(=O)[C@H]2CCCc3[nH]ncc32)CCCC1 ZINC000619108425 352955403 /nfs/dbraw/zinc/95/54/03/352955403.db2.gz VOUASIHEMASGOL-LBPRGKRZSA-N 0 1 273.380 2.835 20 30 CFEDMN CC[N@H+]1CCN(C(=O)c2ccc(C(C)(C)C#N)cc2)C[C@H]1C ZINC000619441046 353024383 /nfs/dbraw/zinc/02/43/83/353024383.db2.gz IPYOMTSWFDFUME-CQSZACIVSA-N 0 1 299.418 2.654 20 30 CFEDMN CCN1CCN(C(=O)c2ccc(C(C)(C)C#N)cc2)C[C@H]1C ZINC000619441046 353024386 /nfs/dbraw/zinc/02/43/86/353024386.db2.gz IPYOMTSWFDFUME-CQSZACIVSA-N 0 1 299.418 2.654 20 30 CFEDMN C=CCN(C)C(=O)NC[C@@H](c1ccc(C)o1)N1CCCC1 ZINC000154340076 188136661 /nfs/dbraw/zinc/13/66/61/188136661.db2.gz PLXXHHIGWZDHFV-AWEZNQCLSA-N 0 1 291.395 2.552 20 30 CFEDMN C=CCN(C)Cc1ccc(OC)cc1OC(F)F ZINC000154773691 188160551 /nfs/dbraw/zinc/16/05/51/188160551.db2.gz IEKSNWKEJHNJHL-UHFFFAOYSA-N 0 1 257.280 2.914 20 30 CFEDMN C=C(C)CN(CC)[C@@H](C)C(=O)NCc1ccccc1OC ZINC000155138630 188185949 /nfs/dbraw/zinc/18/59/49/188185949.db2.gz GCHMSWUOSHMWRF-AWEZNQCLSA-N 0 1 290.407 2.598 20 30 CFEDMN CC(C)(C)c1nc(CSc2ccc(C#N)cn2)n[nH]1 ZINC000292466635 198298832 /nfs/dbraw/zinc/29/88/32/198298832.db2.gz PMKCKRYJSJLJCM-UHFFFAOYSA-N 0 1 273.365 2.661 20 30 CFEDMN CC#CCN1CCC[C@H]1c1ccc2c(c1)OCCO2 ZINC000157401454 188314902 /nfs/dbraw/zinc/31/49/02/188314902.db2.gz XGQCEMWNPWDEBK-AWEZNQCLSA-N 0 1 257.333 2.618 20 30 CFEDMN C=CCN(Cc1cncc(Cl)c1)[C@@H](C)COC ZINC000621314219 353321940 /nfs/dbraw/zinc/32/19/40/353321940.db2.gz NVZLCZBNYPYRQP-NSHDSACASA-N 0 1 254.761 2.758 20 30 CFEDMN C=C(C)CN(CC)C(=O)[C@@H]1C[C@@H](C)Cc2c[nH]nc21 ZINC000623176061 353590966 /nfs/dbraw/zinc/59/09/66/353590966.db2.gz COKIAJFZWLNVKZ-WCQYABFASA-N 0 1 261.369 2.500 20 30 CFEDMN C=CC[C@H](CO)CNCc1c(F)ccc(F)c1Cl ZINC000623483401 353654356 /nfs/dbraw/zinc/65/43/56/353654356.db2.gz DLLPMGKASOZVDB-VIFPVBQESA-N 0 1 275.726 2.892 20 30 CFEDMN C=CC[C@@H](CO)NCc1c(F)ccc(F)c1Cl ZINC000623491285 353656170 /nfs/dbraw/zinc/65/61/70/353656170.db2.gz MORFDSNBJSOWMW-QMMMGPOBSA-N 0 1 261.699 2.645 20 30 CFEDMN C=CC(C)(C)CCNC(=O)NCc1ccc2cncn2c1 ZINC000624189897 353829738 /nfs/dbraw/zinc/82/97/38/353829738.db2.gz CIBHPWCBHUBGKC-UHFFFAOYSA-N 0 1 286.379 2.736 20 30 CFEDMN C=C(C)CN(Cc1ccc(CO)o1)C[C@H](OCC)C1CC1 ZINC000625424557 354043656 /nfs/dbraw/zinc/04/36/56/354043656.db2.gz WGASUCCUJWPGEQ-KRWDZBQOSA-N 0 1 293.407 2.965 20 30 CFEDMN C=CC[C@H]1CCN(Cc2nc(-c3ccoc3)no2)C1 ZINC000625702610 354089814 /nfs/dbraw/zinc/08/98/14/354089814.db2.gz ZVHOURJRXJODAZ-NSHDSACASA-N 0 1 259.309 2.728 20 30 CFEDMN C=CCN(CC=C)C(=O)[C@H](C)N1CCCC(F)(F)CC1 ZINC000625766981 354103469 /nfs/dbraw/zinc/10/34/69/354103469.db2.gz CSUCEQJKBUYLTG-ZDUSSCGKSA-N 0 1 286.366 2.697 20 30 CFEDMN C=CCC(CC=C)C(=O)NCc1ccc2c(=N)[nH]oc2c1 ZINC000627800604 354406462 /nfs/dbraw/zinc/40/64/62/354406462.db2.gz WSMAPYRLRFHRIW-UHFFFAOYSA-N 0 1 285.347 2.625 20 30 CFEDMN C=CC[N@H+](C[C@@H]1CCCC[C@H]1CC)[C@@H]1CCS(=O)(=O)C1 ZINC000628152093 354448939 /nfs/dbraw/zinc/44/89/39/354448939.db2.gz LTIRYFVCJIECCK-OWCLPIDISA-N 0 1 299.480 2.878 20 30 CFEDMN C=CCN(C[C@@H]1CCCC[C@H]1CC)[C@@H]1CCS(=O)(=O)C1 ZINC000628152093 354448940 /nfs/dbraw/zinc/44/89/40/354448940.db2.gz LTIRYFVCJIECCK-OWCLPIDISA-N 0 1 299.480 2.878 20 30 CFEDMN C=CC[C@@H]1CCN(Cc2cn(-c3ccccc3C)nn2)C1 ZINC000628407147 354579911 /nfs/dbraw/zinc/57/99/11/354579911.db2.gz ZYEFBPCBXHGDOO-OAHLLOKOSA-N 0 1 282.391 2.974 20 30 CFEDMN C=CC[C@H]1CCN(C(=O)c2cccc(-c3nnc[nH]3)c2)C1 ZINC000628490343 354605870 /nfs/dbraw/zinc/60/58/70/354605870.db2.gz WIRWMVSRWIWJQG-LBPRGKRZSA-N 0 1 282.347 2.510 20 30 CFEDMN C=CC[C@H]1CC[N@H+](Cc2ccsc2C(=O)[O-])C1 ZINC000629365952 354789785 /nfs/dbraw/zinc/78/97/85/354789785.db2.gz BKXCMUWROBOAJA-JTQLQIEISA-N 0 1 251.351 2.844 20 30 CFEDMN C=CCCCC[N@@H+]1CC[C@H](C(=O)[O-])[C@@H]2CCC[C@H]21 ZINC000629374609 354792865 /nfs/dbraw/zinc/79/28/65/354792865.db2.gz TVWSXGXCICKSJV-MELADBBJSA-N 0 1 251.370 2.918 20 30 CFEDMN C=C(C)CN(CC)C(=O)CN1CC[C@@H](OCCC(C)C)C1 ZINC000177386397 540057342 /nfs/dbraw/zinc/05/73/42/540057342.db2.gz QCSCRYBAGPEFGT-MRXNPFEDSA-N 0 1 296.455 2.548 20 30 CFEDMN C=C1CC(C)(C(=O)NC[C@@H](c2ccc(F)cc2)N(C)C)C1 ZINC000630784022 355176261 /nfs/dbraw/zinc/17/62/61/355176261.db2.gz RHBFBGLHEDQWHL-HNNXBMFYSA-N 0 1 290.382 2.901 20 30 CFEDMN Cc1ccc2nc(CNC(=O)C[C@@H]3CCOC3)[nH]c2c1 ZINC000329798213 540114204 /nfs/dbraw/zinc/11/42/04/540114204.db2.gz HRAURMHTJDDNTL-NSHDSACASA-N 0 1 273.336 2.754 20 30 CFEDMN CCc1nc([C@@H](C)N[C@@H](C)c2cccc(C#N)c2)n[nH]1 ZINC000271861019 191374246 /nfs/dbraw/zinc/37/42/46/191374246.db2.gz KLNSDHMPHLEEKD-WDEREUQCSA-N 0 1 269.352 2.651 20 30 CFEDMN C=CCCOCCNCc1ccncc1Br ZINC000631101135 355291502 /nfs/dbraw/zinc/29/15/02/355291502.db2.gz JHHQMGUMBQIZNT-UHFFFAOYSA-N 0 1 285.185 2.526 20 30 CFEDMN C=CCOc1ccc(CN[C@@H](C)[C@@H](O)C(F)(F)F)cc1 ZINC000631233387 355364871 /nfs/dbraw/zinc/36/48/71/355364871.db2.gz ZYOFFKODZALGDB-GXFFZTMASA-N 0 1 289.297 2.653 20 30 CFEDMN C=CCCC(C)(C)CN=c1nc(COC)[n-]s1 ZINC000631450154 355441295 /nfs/dbraw/zinc/44/12/95/355441295.db2.gz HOWVNTXHERVSJO-UHFFFAOYSA-N 0 1 255.387 2.511 20 30 CFEDMN C=CCCC(C)(C)CN[C@H](c1nnc[nH]1)c1cccnc1 ZINC000631679549 355545369 /nfs/dbraw/zinc/54/53/69/355545369.db2.gz IAUUHSIDWBSMGK-AWEZNQCLSA-N 0 1 285.395 2.871 20 30 CFEDMN C=CCC[C@H](NC1CN(c2ccncn2)C1)c1ccco1 ZINC000631748020 355574028 /nfs/dbraw/zinc/57/40/28/355574028.db2.gz VIWNQXXKPQKQMU-AWEZNQCLSA-N 0 1 284.363 2.555 20 30 CFEDMN C=C1CC(C)(C(=O)N[C@H](C)c2n[nH]c([C@H](C)CC)n2)C1 ZINC000632753510 355737876 /nfs/dbraw/zinc/73/78/76/355737876.db2.gz HQSMWUUHEOJDQP-GHMZBOCLSA-N 0 1 276.384 2.852 20 30 CFEDMN C=CCc1cccc(C(C)C)c1NC(=O)Cc1nc[nH]n1 ZINC000632752145 355737925 /nfs/dbraw/zinc/73/79/25/355737925.db2.gz ROWGLVRFILVZBE-UHFFFAOYSA-N 0 1 284.363 2.838 20 30 CFEDMN Cc1csc(C(C#N)C(=O)c2cnn(CC3CC3)c2)n1 ZINC000633894237 356029017 /nfs/dbraw/zinc/02/90/17/356029017.db2.gz FXSIFAVDYBUHOA-GFCCVEGCSA-N 0 1 286.360 2.548 20 30 CFEDMN N#Cc1ccc(N2CCN(C3CC3)CC2)c(C(F)(F)F)c1 ZINC000265544386 283160343 /nfs/dbraw/zinc/16/03/43/283160343.db2.gz FJNPTCYTUSKEKQ-UHFFFAOYSA-N 0 1 295.308 2.861 20 30 CFEDMN N#Cc1cnc(CN2CCC[C@H]3CCCC[C@H]32)nc1 ZINC000332213293 283230003 /nfs/dbraw/zinc/23/00/03/283230003.db2.gz JOVGYCFYRLEBMQ-ZIAGYGMSSA-N 0 1 256.353 2.503 20 30 CFEDMN C=C(C)[C@H]1OCC[C@H]1C[NH2+]Cc1c(F)ccc([O-])c1F ZINC000294499658 199063522 /nfs/dbraw/zinc/06/35/22/199063522.db2.gz BKILMLGVSMVLAN-ZUZCIYMTSA-N 0 1 283.318 2.741 20 30 CFEDMN CC(C)(C[C@H]1CCCN(Cc2ccccc2C#N)C1)C(N)=O ZINC000294694564 199138065 /nfs/dbraw/zinc/13/80/65/199138065.db2.gz CNVGZPFLBRXSTQ-CQSZACIVSA-N 0 1 299.418 2.672 20 30 CFEDMN C=CCN(CC=C)C(=O)[C@H](C)N[C@@H](C)c1ccsc1 ZINC000669828418 540583200 /nfs/dbraw/zinc/58/32/00/540583200.db2.gz MKLFTTCAGDHQTR-STQMWFEESA-N 0 1 278.421 2.988 20 30 CFEDMN C=C(C)CN(CC)C(=O)CSc1nc(C(C)(C)C)n[nH]1 ZINC000298109666 200335567 /nfs/dbraw/zinc/33/55/67/200335567.db2.gz XRMAAGLOLHPLMB-UHFFFAOYSA-N 0 1 296.440 2.619 20 30 CFEDMN C=CCNC(=O)[C@@H](C)N(CCC)Cc1ccc(F)cc1 ZINC000298247552 200371201 /nfs/dbraw/zinc/37/12/01/200371201.db2.gz SXWPIZQBBHRVSN-CYBMUJFWSA-N 0 1 278.371 2.728 20 30 CFEDMN CCn1ccc(CN(C)CC#Cc2ccccc2)c1 ZINC000683029205 540735992 /nfs/dbraw/zinc/73/59/92/540735992.db2.gz HALHIKPNQWTRTF-UHFFFAOYSA-N 0 1 252.361 2.992 20 30 CFEDMN C=C(C)CN(Cc1ccccc1)C(=O)Cc1ccn[nH]1 ZINC000352211826 540885256 /nfs/dbraw/zinc/88/52/56/540885256.db2.gz WGBLKCZLFRAUBS-UHFFFAOYSA-N 0 1 269.348 2.557 20 30 CFEDMN Cc1cccc(OCCN(C)Cc2ccc(C#N)o2)c1 ZINC000179771973 189219515 /nfs/dbraw/zinc/21/95/15/189219515.db2.gz IRCSTCAZCWDNCH-UHFFFAOYSA-N 0 1 270.332 2.971 20 30 CFEDMN C=C[C@@H](CC(=O)N1CCC2(CN(C)C2)C1)c1ccccc1 ZINC000670377489 540957797 /nfs/dbraw/zinc/95/77/97/540957797.db2.gz NRQUCOJJNCXRBR-HNNXBMFYSA-N 0 1 284.403 2.510 20 30 CFEDMN C=CCNC(=O)CN[C@H]1CCSc2ccc(Cl)cc21 ZINC000180035801 189234090 /nfs/dbraw/zinc/23/40/90/189234090.db2.gz HFXZUDKRKVXKQM-LBPRGKRZSA-N 0 1 296.823 2.769 20 30 CFEDMN C=CCC[C@H](O)CN(C)Cc1cc(F)c(F)c(F)c1 ZINC000180508723 189259849 /nfs/dbraw/zinc/25/98/49/189259849.db2.gz YFVZVSQFJXIKEP-NSHDSACASA-N 0 1 273.298 2.863 20 30 CFEDMN COCCn1cc(CN(C)[C@@H](C)c2cccc(C#N)c2)cn1 ZINC000425368413 239032168 /nfs/dbraw/zinc/03/21/68/239032168.db2.gz WRSYGJDFZLKWTE-AWEZNQCLSA-N 0 1 298.390 2.594 20 30 CFEDMN C=CCC[C@H](CO)N[C@H](C)c1nc(C)sc1C ZINC000321413805 541328732 /nfs/dbraw/zinc/32/87/32/541328732.db2.gz JQBLCMLCXUHPLC-BXKDBHETSA-N 0 1 254.399 2.738 20 30 CFEDMN CC(=O)Nc1ccc(CNCc2ccc(C#N)c(C)c2)cn1 ZINC000433202154 240125579 /nfs/dbraw/zinc/12/55/79/240125579.db2.gz ZFDOHOAOAVNYLH-UHFFFAOYSA-N 0 1 294.358 2.510 20 30 CFEDMN CC(=Cc1ccc(C#N)c(C)c1)c1nc(C)c(C#N)c(=O)[nH]1 ZINC000435340780 240303774 /nfs/dbraw/zinc/30/37/74/240303774.db2.gz NBDXKYQWQUTBGK-YRNVUSSQSA-N 0 1 290.326 2.691 20 30 CFEDMN Cc1cccnc1CNCc1ccc(C#N)c(C)c1 ZINC000443985893 241102229 /nfs/dbraw/zinc/10/22/29/241102229.db2.gz JYZYLFYOAKFQME-UHFFFAOYSA-N 0 1 251.333 2.860 20 30 CFEDMN Cc1ncsc1CNCc1ccc(C#N)c(C)c1 ZINC000443991954 241104750 /nfs/dbraw/zinc/10/47/50/241104750.db2.gz XLYXZQSARLKTEP-UHFFFAOYSA-N 0 1 257.362 2.921 20 30 CFEDMN C[C@H](O)[C@H]1C[C@H](C)CCN1Cc1ccc(C#N)cc1F ZINC000443326995 241053573 /nfs/dbraw/zinc/05/35/73/241053573.db2.gz MBIXHIFOQLGBOF-BFQNTYOBSA-N 0 1 276.355 2.679 20 30 CFEDMN CC(C)[C@H]1CCCN(CC(=O)Nc2ccc(C#N)cc2)C1 ZINC000444774119 241190789 /nfs/dbraw/zinc/19/07/89/241190789.db2.gz VAHJSKZGPMIPPO-HNNXBMFYSA-N 0 1 285.391 2.865 20 30 CFEDMN OCC[C@H]1CCCN(CC#Cc2ccc(Cl)cc2)C1 ZINC000674251430 541551524 /nfs/dbraw/zinc/55/15/24/541551524.db2.gz SJOSOBMKLJOAGX-OAHLLOKOSA-N 0 1 277.795 2.786 20 30 CFEDMN Cc1cc(CN2CC[C@H]([C@H](O)C(F)(F)F)C2)ccc1C#N ZINC000449673941 242100662 /nfs/dbraw/zinc/10/06/62/242100662.db2.gz RFFPNKCVUWXOEH-KBPBESRZSA-N 0 1 298.308 2.612 20 30 CFEDMN CCc1ccc(CNCc2ccc(C#N)c(F)c2)cn1 ZINC000449735291 242125056 /nfs/dbraw/zinc/12/50/56/242125056.db2.gz HAMYOBBNYZKUBL-UHFFFAOYSA-N 0 1 269.323 2.945 20 30 CFEDMN COC[C@@H]1CCCCN1Cc1ccc(C#N)cc1OC ZINC000452039810 243021732 /nfs/dbraw/zinc/02/17/32/243021732.db2.gz PBPGIBIVMJEWIV-HNNXBMFYSA-N 0 1 274.364 2.568 20 30 CFEDMN C=CCC[C@@H](NC(=O)[C@H](C)N(C)C)c1ccccc1 ZINC000676477396 541756162 /nfs/dbraw/zinc/75/61/62/541756162.db2.gz IDPNEXHBOMVUQM-DZGCQCFKSA-N 0 1 260.381 2.760 20 30 CFEDMN COC(=O)[C@@H]1C[C@@H]2CCCC[C@H]2N1Cc1ccc(C#N)cc1 ZINC000247858040 284167649 /nfs/dbraw/zinc/16/76/49/284167649.db2.gz UXGNNXNHRJWXHK-BBWFWOEESA-N 0 1 298.386 2.864 20 30 CFEDMN C=CCCN(C)CC(=O)Nc1cccc2c1N=S=N2 ZINC000276438785 193331243 /nfs/dbraw/zinc/33/12/43/193331243.db2.gz OGTJUPSGQXAQJS-UHFFFAOYSA-N 0 1 276.365 2.859 20 30 CFEDMN COc1ccc(C#N)cc1CN1CC2(CCC2)[C@@H]2COC[C@@H]21 ZINC000459671304 245266818 /nfs/dbraw/zinc/26/68/18/245266818.db2.gz KFJGXYQINDCSMI-CVEARBPZSA-N 0 1 298.386 2.568 20 30 CFEDMN C[C@H](NCC(=O)Nc1sccc1C#N)c1ccccc1 ZINC000003566845 371809269 /nfs/dbraw/zinc/80/92/69/371809269.db2.gz BKHDRNVEQLLUGH-NSHDSACASA-N 0 1 285.372 2.909 20 30 CFEDMN CCC#C[C@H](C)N1CCCN(C(=O)c2cccc(C)c2)CC1 ZINC000677477774 541864553 /nfs/dbraw/zinc/86/45/53/541864553.db2.gz XCIIOTPXSDBUMF-KRWDZBQOSA-N 0 1 298.430 2.945 20 30 CFEDMN C=CCN(CC=C)C(=O)c1cc(-c2ccccc2)[nH]n1 ZINC000029630552 372384819 /nfs/dbraw/zinc/38/48/19/372384819.db2.gz WVONUQKODSVAMW-UHFFFAOYSA-N 0 1 267.332 2.891 20 30 CFEDMN CC[C@H]1CCCCN1CC(=O)Nc1cccc(C#N)c1 ZINC000031945940 372423862 /nfs/dbraw/zinc/42/38/62/372423862.db2.gz FZKTYKWSUAIKDZ-HNNXBMFYSA-N 0 1 271.364 2.761 20 30 CFEDMN C[C@@H](N[C@@H](C)c1ccc(C#N)cc1)C(=O)N1CCCCC1 ZINC000037749553 372697626 /nfs/dbraw/zinc/69/76/26/372697626.db2.gz DHWPPFUKVWXUCS-UONOGXRCSA-N 0 1 285.391 2.610 20 30 CFEDMN N#Cc1cccc(CNCc2cccc3c2OCCO3)c1 ZINC000037748843 372695821 /nfs/dbraw/zinc/69/58/21/372695821.db2.gz RJRBGGRTXZRCDV-UHFFFAOYSA-N 0 1 280.327 2.619 20 30 CFEDMN N#C[C@H](C(=O)[C@@H]1CC[C@@H]1c1ccc(F)cc1)c1ccncn1 ZINC000528988317 383684904 /nfs/dbraw/zinc/68/49/04/383684904.db2.gz VCKKJKRRABJEND-KFWWJZLASA-N 0 1 295.317 2.986 20 30 CFEDMN N#C[C@H](C(=O)[C@@H]1C[C@H]1c1ccsc1)c1ccncn1 ZINC000528988021 383685032 /nfs/dbraw/zinc/68/50/32/383685032.db2.gz SIYFHQNLIDCMBL-TUAOUCFPSA-N 0 1 269.329 2.518 20 30 CFEDMN CCN(CC(=O)NCC(C)C)[C@H](C)c1ccc(C#N)cc1 ZINC000042741606 372952611 /nfs/dbraw/zinc/95/26/11/372952611.db2.gz IDMPEAQLZONJOV-CQSZACIVSA-N 0 1 287.407 2.713 20 30 CFEDMN CC[C@@H](C)N1CCN(c2ccc(C#N)cc2F)CC1 ZINC000055079963 373538686 /nfs/dbraw/zinc/53/86/86/373538686.db2.gz SLTAVAWJALWLEF-GFCCVEGCSA-N 0 1 261.344 2.618 20 30 CFEDMN C[C@@H]1C[C@H](C)CCN(C(=O)N[C@@H]2CCc3nc[nH]c3C2)C1 ZINC000329695016 297348099 /nfs/dbraw/zinc/34/80/99/297348099.db2.gz BDXVWXHTWWWAPG-JHJVBQTASA-N 0 1 290.411 2.549 20 30 CFEDMN C=CCN(CCc1cncn1C)Cc1ccccc1F ZINC000289535766 197392939 /nfs/dbraw/zinc/39/29/39/197392939.db2.gz GWMBBQQCUMQVHC-UHFFFAOYSA-N 0 1 273.355 2.790 20 30 CFEDMN Cc1cccc2c1OC[C@H](NCc1ccc(C#N)o1)C2 ZINC000289523279 197389043 /nfs/dbraw/zinc/38/90/43/197389043.db2.gz IUMWGUBHIRQMNR-CYBMUJFWSA-N 0 1 268.316 2.553 20 30 CFEDMN CCN(CC)CC(=O)N(CCC#N)c1cccc(Cl)c1 ZINC000070925108 374204886 /nfs/dbraw/zinc/20/48/86/374204886.db2.gz CQRWPCLYOXQGPX-UHFFFAOYSA-N 0 1 293.798 2.928 20 30 CFEDMN C=C(C)[C@@H](CO)N1CC[C@H](Oc2ccccc2Cl)C1 ZINC000678049499 541942105 /nfs/dbraw/zinc/94/21/05/541942105.db2.gz KXEUWYOMDIAICY-GXTWGEPZSA-N 0 1 281.783 2.730 20 30 CFEDMN CCN1C[C@H](C)N(C(=O)/C=C/c2ccc(C#N)cc2)C[C@H]1C ZINC000492263916 246237402 /nfs/dbraw/zinc/23/74/02/246237402.db2.gz UPDNDKXKLAVNJJ-SPZIKGKASA-N 0 1 297.402 2.513 20 30 CFEDMN CN(CCCc1ccccc1)C[C@@H](C#N)CCC#N ZINC000076494306 374551744 /nfs/dbraw/zinc/55/17/44/374551744.db2.gz VOBMQRVLNVHVPY-MRXNPFEDSA-N 0 1 255.365 2.995 20 30 CFEDMN O=C(Nc1nc(-c2ccco2)n[nH]1)[C@H]1Cc2ccccc2O1 ZINC000076653313 374556515 /nfs/dbraw/zinc/55/65/15/374556515.db2.gz FOJVVYHGYYGAFT-GFCCVEGCSA-N 0 1 296.286 2.656 20 30 CFEDMN CCC(C#N)(CC)C(=O)NCc1ccc2nc[nH]c2c1 ZINC000529451242 383701303 /nfs/dbraw/zinc/70/13/03/383701303.db2.gz KHWBQVNYGNPGDE-UHFFFAOYSA-N 0 1 270.336 2.509 20 30 CFEDMN CCOC[C@H]1CCN(Cc2cn3ccccc3c2C#N)C1 ZINC000081544976 374703042 /nfs/dbraw/zinc/70/30/42/374703042.db2.gz YLUHSFKHPYPEHT-AWEZNQCLSA-N 0 1 283.375 2.669 20 30 CFEDMN CCOC[C@H]1CCN(Cc2cc(C#N)ccc2F)C1 ZINC000081521251 374704082 /nfs/dbraw/zinc/70/40/82/374704082.db2.gz BLANSLMFGYALMF-ZDUSSCGKSA-N 0 1 262.328 2.556 20 30 CFEDMN N#CCNC(=O)CN1CCCCC[C@@H]1/C=C/c1ccccc1 ZINC000084868283 374793294 /nfs/dbraw/zinc/79/32/94/374793294.db2.gz ZUOUNFDERMBRSM-SXSDINLZSA-N 0 1 297.402 2.584 20 30 CFEDMN C[C@H]1CN(CC(C)(C)CCC#N)CCN1CC(F)(F)F ZINC000092103424 375090320 /nfs/dbraw/zinc/09/03/20/375090320.db2.gz OJDHOLHMRVJKLV-LBPRGKRZSA-N 0 1 291.361 2.885 20 30 CFEDMN C=CCN(Cc1cccc([N+](=O)[O-])c1)CC1=CCCOC1 ZINC000092646379 375133765 /nfs/dbraw/zinc/13/37/65/375133765.db2.gz KXCFGAHLPBKDKI-UHFFFAOYSA-N 0 1 288.347 2.930 20 30 CFEDMN N#Cc1ccc(CN2CCC[C@@H](c3nccs3)C2)o1 ZINC000092788651 375155355 /nfs/dbraw/zinc/15/53/55/375155355.db2.gz RFJAEGCXKFFZBP-LLVKDONJSA-N 0 1 273.361 2.987 20 30 CFEDMN CC(C)Oc1cncc(C(=O)C(C#N)c2ccccn2)c1 ZINC000093244573 375200288 /nfs/dbraw/zinc/20/02/88/375200288.db2.gz HOUCXGCSFLQYBE-CQSZACIVSA-N 0 1 281.315 2.754 20 30 CFEDMN CCOCCN(C)CC#Cc1ccc(Cl)cc1 ZINC000093312118 375206032 /nfs/dbraw/zinc/20/60/32/375206032.db2.gz ITNLKZTWXAOHEG-UHFFFAOYSA-N 0 1 251.757 2.660 20 30 CFEDMN CN(CCC#N)c1ccc(CN2CCOCC23CCC3)cc1 ZINC000093510374 375259634 /nfs/dbraw/zinc/25/96/34/375259634.db2.gz XMQBPSPWFUXUJO-UHFFFAOYSA-N 0 1 299.418 2.791 20 30 CFEDMN CCCN1CCC[C@H]1C(=O)Nc1ccc(F)c(C#N)c1 ZINC000102879281 375698787 /nfs/dbraw/zinc/69/87/87/375698787.db2.gz QWDORDZPWZPWMJ-AWEZNQCLSA-N 0 1 275.327 2.510 20 30 CFEDMN N#Cc1ccsc1NC(=O)C[N@H+]1CCC[C@H]1C1CCC1 ZINC000102925926 375701340 /nfs/dbraw/zinc/70/13/40/375701340.db2.gz LRVJMSOMJORIPM-ZDUSSCGKSA-N 0 1 289.404 2.823 20 30 CFEDMN N#Cc1ccsc1NC(=O)CN1CCC[C@H]1C1CCC1 ZINC000102925926 375701344 /nfs/dbraw/zinc/70/13/44/375701344.db2.gz LRVJMSOMJORIPM-ZDUSSCGKSA-N 0 1 289.404 2.823 20 30 CFEDMN CCN1CCCC[C@@H]1C(=O)Nc1ccc(CC#N)cc1 ZINC000104141045 375768853 /nfs/dbraw/zinc/76/88/53/375768853.db2.gz AJFHGOGMEUTUSK-OAHLLOKOSA-N 0 1 271.364 2.566 20 30 CFEDMN COCC#CCN[C@@H](C)c1ccccc1OC(C)C ZINC000678746691 542064892 /nfs/dbraw/zinc/06/48/92/542064892.db2.gz ZDKSUCUYMOLICI-AWEZNQCLSA-N 0 1 261.365 2.774 20 30 CFEDMN COCC#CCN[C@H](C)c1ccc(OCC2CC2)c(F)c1 ZINC000678796210 542071238 /nfs/dbraw/zinc/07/12/38/542071238.db2.gz OSNOWKSXKDGTOC-CYBMUJFWSA-N 0 1 291.366 2.915 20 30 CFEDMN C=CCCC(=O)NC[C@@H]1CCC[N@H+]1Cc1ccccc1 ZINC000114643582 376076650 /nfs/dbraw/zinc/07/66/50/376076650.db2.gz ROWZJYUXMIQRKG-INIZCTEOSA-N 0 1 272.392 2.733 20 30 CFEDMN C=CC[C@@H](C)NC(=O)NC[C@H](c1ccco1)N1CCCC1 ZINC000116933187 376215719 /nfs/dbraw/zinc/21/57/19/376215719.db2.gz IXQWRCLGLLCVEE-ZIAGYGMSSA-N 0 1 291.395 2.680 20 30 CFEDMN COc1ccc(OCCN(C)Cc2ccc(C#N)o2)cc1 ZINC000119355774 376401080 /nfs/dbraw/zinc/40/10/80/376401080.db2.gz AQDMZCJBSAWHRY-UHFFFAOYSA-N 0 1 286.331 2.671 20 30 CFEDMN C[C@@H](NCC(=O)Nc1ccc(F)cc1)c1ccc(C#N)cc1 ZINC000119326251 376395276 /nfs/dbraw/zinc/39/52/76/376395276.db2.gz QHZSSRBWLBWKEM-GFCCVEGCSA-N 0 1 297.333 2.987 20 30 CFEDMN CN(Cc1ccc(F)cc1C#N)[C@@H]1[C@H]2CCO[C@@H]2C1(C)C ZINC000120121143 376550227 /nfs/dbraw/zinc/55/02/27/376550227.db2.gz DKPJDACUSAYALE-OAGGEKHMSA-N 0 1 288.366 2.943 20 30 CFEDMN C=CCN1CCC[C@H]1c1n[nH]c(-c2ccccc2)n1 ZINC000120268806 376583469 /nfs/dbraw/zinc/58/34/69/376583469.db2.gz QXEOFKXRYJNJGB-ZDUSSCGKSA-N 0 1 254.337 2.795 20 30 CFEDMN COc1cc(C#N)ccc1CN1CCC[C@H](n2cccn2)C1 ZINC000120795289 376694316 /nfs/dbraw/zinc/69/43/16/376694316.db2.gz CFTIZGHPBHQWEF-INIZCTEOSA-N 0 1 296.374 2.600 20 30 CFEDMN C=CCCCCCNC(=O)c1ccc2cncn2c1 ZINC000574648936 335037284 /nfs/dbraw/zinc/03/72/84/335037284.db2.gz BNMPZOGEWUMIIN-UHFFFAOYSA-N 0 1 257.337 2.811 20 30 CFEDMN Cc1ccsc1CN1CCN(c2ncccc2C#N)CC1 ZINC000122949624 376942216 /nfs/dbraw/zinc/94/22/16/376942216.db2.gz IZBLJPJNADIIFF-UHFFFAOYSA-N 0 1 298.415 2.645 20 30 CFEDMN C[C@@]1(O)CCCN(CC#Cc2ccc(Cl)cc2)C1 ZINC000124577386 377065145 /nfs/dbraw/zinc/06/51/45/377065145.db2.gz DYRUYDWQSJJENA-OAHLLOKOSA-N 0 1 263.768 2.538 20 30 CFEDMN CC(C)C(N)=NOCc1cccc(OC(F)F)c1 ZINC000128419781 377337474 /nfs/dbraw/zinc/33/74/74/377337474.db2.gz UIAQIZRXSUOYTO-UHFFFAOYSA-N 0 1 258.268 2.733 20 30 CFEDMN C=CCOc1cccc(CN2CCN(C3CC3)CC2)c1 ZINC000127902588 377308008 /nfs/dbraw/zinc/30/80/08/377308008.db2.gz KZFPRSQFEAIBIK-UHFFFAOYSA-N 0 1 272.392 2.531 20 30 CFEDMN C=C(C)CN(CC)[C@@H](C(=O)NC1CC1)c1ccccc1 ZINC000127971511 377309536 /nfs/dbraw/zinc/30/95/36/377309536.db2.gz IWIOTJUWGSKMCS-MRXNPFEDSA-N 0 1 272.392 2.904 20 30 CFEDMN C=CCC[C@@H](O)C[N@@H+]1CCN(Cc2ccccc2)C[C@H]1C ZINC000128699685 377353216 /nfs/dbraw/zinc/35/32/16/377353216.db2.gz LWVJYJVHOOKYCZ-SJLPKXTDSA-N 0 1 288.435 2.520 20 30 CFEDMN Cc1cc(C#N)ccc1C(=O)[C@H](C#N)c1ccccn1 ZINC000129404967 377423298 /nfs/dbraw/zinc/42/32/98/377423298.db2.gz UFNDPERNGBUTGT-CQSZACIVSA-N 0 1 261.284 2.752 20 30 CFEDMN CC#CCN(CC)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000129298430 377408687 /nfs/dbraw/zinc/40/86/87/377408687.db2.gz UJEDCUKEIBJKHU-KRWDZBQOSA-N 0 1 256.393 2.606 20 30 CFEDMN CC#CCN(CC)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000129298220 377409116 /nfs/dbraw/zinc/40/91/16/377409116.db2.gz UJEDCUKEIBJKHU-QGZVFWFLSA-N 0 1 256.393 2.606 20 30 CFEDMN C=CCN(CC1CCCCCC1)[C@H]1CCS(=O)(=O)C1 ZINC000130187560 377518867 /nfs/dbraw/zinc/51/88/67/377518867.db2.gz QPQQLIOYOLSJAJ-HNNXBMFYSA-N 0 1 285.453 2.632 20 30 CFEDMN COc1ccc(C#N)cc1CN(C)C[C@H]1CCCCO1 ZINC000130421396 377554634 /nfs/dbraw/zinc/55/46/34/377554634.db2.gz QLNHIPACRGLMDP-OAHLLOKOSA-N 0 1 274.364 2.568 20 30 CFEDMN Cc1ccc2nc([C@H]3CCCN(CC#N)C3)[nH]c2c1 ZINC000130787647 377613683 /nfs/dbraw/zinc/61/36/83/377613683.db2.gz CHJJTVRAWDFNBR-LBPRGKRZSA-N 0 1 254.337 2.574 20 30 CFEDMN C=CCNC(=O)CN(CCC)Cc1ccc(C)cc1 ZINC000679636031 542217871 /nfs/dbraw/zinc/21/78/71/542217871.db2.gz LRWUBVCHFGIVIZ-UHFFFAOYSA-N 0 1 260.381 2.509 20 30 CFEDMN C=CCN(CCc1ccccc1)C(=O)CN(CC)C1CC1 ZINC000131616432 377738494 /nfs/dbraw/zinc/73/84/94/377738494.db2.gz HBLHNNRQGFVICY-UHFFFAOYSA-N 0 1 286.419 2.728 20 30 CFEDMN CCCCN(CC)CC(=O)Nc1oc(C)c(C)c1C#N ZINC000134267549 377997285 /nfs/dbraw/zinc/99/72/85/377997285.db2.gz JVSFBUJJGHGGCD-UHFFFAOYSA-N 0 1 277.368 2.829 20 30 CFEDMN COc1ccc(CN2CCC(c3cc[nH]n3)CC2)cc1C#N ZINC000135021661 378075263 /nfs/dbraw/zinc/07/52/63/378075263.db2.gz GZLDOQZGYUZOKW-UHFFFAOYSA-N 0 1 296.374 2.670 20 30 CFEDMN C=CCCCCCN(C)CC(=O)Nc1cc(C)on1 ZINC000150894565 378279742 /nfs/dbraw/zinc/27/97/42/378279742.db2.gz UAXLQGSVAFMKNO-UHFFFAOYSA-N 0 1 265.357 2.600 20 30 CFEDMN C=CCCCCCN(C)[C@H](C)C(=O)Nc1cc(C)no1 ZINC000150897595 378280142 /nfs/dbraw/zinc/28/01/42/378280142.db2.gz WHNDOGCENQKYDX-CYBMUJFWSA-N 0 1 279.384 2.988 20 30 CFEDMN C=CCCCN(C)CC(=O)Nc1nnc(C(C)(C)C)s1 ZINC000137536137 378227261 /nfs/dbraw/zinc/22/72/61/378227261.db2.gz GMSLFOUFSBTHKN-UHFFFAOYSA-N 0 1 296.440 2.672 20 30 CFEDMN C=CCOc1cccc(NC(=O)CN(CC)C2CC2)c1 ZINC000151696472 378350236 /nfs/dbraw/zinc/35/02/36/378350236.db2.gz HMQKICLYVAJPJH-UHFFFAOYSA-N 0 1 274.364 2.674 20 30 CFEDMN CCc1nc([C@H](C)NC(=O)N[C@@H]2CCC[C@@H](C)C2)n[nH]1 ZINC000328935905 378442419 /nfs/dbraw/zinc/44/24/19/378442419.db2.gz QNRJQFUAEILAKG-OUAUKWLOSA-N 0 1 279.388 2.510 20 30 CFEDMN CCc1nc([C@H](C)NC(=O)N[C@H]2CCCC2(C)C)n[nH]1 ZINC000328951718 378442475 /nfs/dbraw/zinc/44/24/75/378442475.db2.gz XJBYHTMHMJYRIH-UWVGGRQHSA-N 0 1 279.388 2.510 20 30 CFEDMN C=CCN(C)C(=O)c1cc(-c2ccc(Cl)cc2)[nH]n1 ZINC000152903244 378457620 /nfs/dbraw/zinc/45/76/20/378457620.db2.gz DVGIBLSZABWJDV-UHFFFAOYSA-N 0 1 275.739 2.988 20 30 CFEDMN C[C@@H]1CCCC[C@H]1OCC(=O)NC1(c2nnc[nH]2)CCC1 ZINC000329359188 378457914 /nfs/dbraw/zinc/45/79/14/378457914.db2.gz XKGKATJEVRURKM-VXGBXAGGSA-N 0 1 292.383 2.736 20 30 CFEDMN CC(C)[N@H+]1C[C@@H](C)[C@H](NC(=O)c2ocnc2C2CC2)C1 ZINC000329611266 378469050 /nfs/dbraw/zinc/46/90/50/378469050.db2.gz CFGBDHONUCNYCN-ZYHUDNBSSA-N 0 1 277.368 2.585 20 30 CFEDMN C[C@@H]1CCC[N@@H+](CCNC(=O)c2c[nH]c3cccnc23)C1 ZINC000328778780 378424247 /nfs/dbraw/zinc/42/42/47/378424247.db2.gz LYMXTXYOWNTKBI-GFCCVEGCSA-N 0 1 286.379 2.599 20 30 CFEDMN C[C@@H]1C[N@H+](C2CC2)C[C@@H]1NC(=O)C[C@H]1CCCCNC1=O ZINC000328778775 378424469 /nfs/dbraw/zinc/42/44/69/378424469.db2.gz DSJHKBYVRRPHDD-BZPMIXESSA-N 0 1 293.411 2.572 20 30 CFEDMN CS[C@@H]1CCC[C@H](NC(=O)[C@H]2CCc3[nH]nnc3C2)C1 ZINC000328774601 378424494 /nfs/dbraw/zinc/42/44/94/378424494.db2.gz KIBBYWGSESCLHY-GARJFASQSA-N 0 1 294.424 2.540 20 30 CFEDMN CS[C@@H]1CCC[C@H](NC(=O)[C@H]2CCc3nn[nH]c3C2)C1 ZINC000328774601 378424501 /nfs/dbraw/zinc/42/45/01/378424501.db2.gz KIBBYWGSESCLHY-GARJFASQSA-N 0 1 294.424 2.540 20 30 CFEDMN C[C@@H]1C[C@@H](C(=O)Nc2ccc3[nH]nnc3c2)CCC1=O ZINC000328928775 378440566 /nfs/dbraw/zinc/44/05/66/378440566.db2.gz GTFHCVRZRKHJJE-BDAKNGLRSA-N 0 1 272.308 2.551 20 30 CFEDMN C[C@@H]1CCSCCN1C(=O)N[C@H]1CCCc2cn[nH]c21 ZINC000330036555 378521959 /nfs/dbraw/zinc/52/19/59/378521959.db2.gz COFYWJZAGNFUJR-PWSUYJOCSA-N 0 1 294.424 2.529 20 30 CFEDMN Cc1[nH]ncc1CNC(=O)Nc1cnc2c(c1)CCCC2 ZINC000329692742 378482390 /nfs/dbraw/zinc/48/23/90/378482390.db2.gz AOVLXUZNSQEFHV-UHFFFAOYSA-N 0 1 285.351 2.518 20 30 CFEDMN NC(=O)C1CCC(NC(=O)[C@H]2CCCc3[nH]ncc32)CC1 ZINC000329832102 378502658 /nfs/dbraw/zinc/50/26/58/378502658.db2.gz KUDSQTQNBUSLHP-ILDUYXDCSA-N 0 1 290.367 2.880 20 30 CFEDMN Cc1ncoc1C(=O)N[C@@H]1C[C@@H](C)N(Cc2ccccc2)C1 ZINC000329850685 378505300 /nfs/dbraw/zinc/50/53/00/378505300.db2.gz SMJDKJWBVGXIHP-IUODEOHRSA-N 0 1 299.374 2.951 20 30 CFEDMN CCC[C@@H]1CCCN(C([O-])=[NH+][C@@H]2CCc3c[nH]nc3C2)C1 ZINC000329885537 378507778 /nfs/dbraw/zinc/50/77/78/378507778.db2.gz UUIZYCISPAGRPX-TZMCWYRMSA-N 0 1 290.411 2.693 20 30 CFEDMN O=C(NC[C@@H]1CCCC[N@H+]1C1CC1)C1CCC(O)CC1 ZINC000329946016 378515928 /nfs/dbraw/zinc/51/59/28/378515928.db2.gz GCNVMCDXXLUZSX-BLZCZZARSA-N 0 1 280.412 2.511 20 30 CFEDMN C=C[C@@H]1CCCC[N@H+]1Cc1cc([O-])ccc1[N+](=O)[O-] ZINC000330455152 378560591 /nfs/dbraw/zinc/56/05/91/378560591.db2.gz MVEXMLNHXMHZOK-GFCCVEGCSA-N 0 1 262.309 2.841 20 30 CFEDMN C=C[C@@H]1CCCC[N@@H+]1Cc1cc([O-])ccc1[N+](=O)[O-] ZINC000330455152 378560600 /nfs/dbraw/zinc/56/06/00/378560600.db2.gz MVEXMLNHXMHZOK-GFCCVEGCSA-N 0 1 262.309 2.841 20 30 CFEDMN N#Cc1ccc(C(=O)Nc2[nH]nc3c2cccc3Cl)nc1 ZINC000154356137 378560671 /nfs/dbraw/zinc/56/06/71/378560671.db2.gz SMNKWSJKWXDAKZ-UHFFFAOYSA-N 0 1 297.705 2.735 20 30 CFEDMN C=C[C@H]1CCCC[N@H+]1Cc1cc([O-])ccc1[N+](=O)[O-] ZINC000330455156 378561344 /nfs/dbraw/zinc/56/13/44/378561344.db2.gz MVEXMLNHXMHZOK-LBPRGKRZSA-N 0 1 262.309 2.841 20 30 CFEDMN C=C[C@H]1CCCC[N@@H+]1Cc1cc([O-])ccc1[N+](=O)[O-] ZINC000330455156 378561347 /nfs/dbraw/zinc/56/13/47/378561347.db2.gz MVEXMLNHXMHZOK-LBPRGKRZSA-N 0 1 262.309 2.841 20 30 CFEDMN CCc1nnc(SCCCC2(C#N)CCOCC2)[nH]1 ZINC000330712515 378595715 /nfs/dbraw/zinc/59/57/15/378595715.db2.gz QVRVPNNWCYWBTP-UHFFFAOYSA-N 0 1 280.397 2.560 20 30 CFEDMN CCc1n[nH]c(SCCCC2(C#N)CCOCC2)n1 ZINC000330712515 378595724 /nfs/dbraw/zinc/59/57/24/378595724.db2.gz QVRVPNNWCYWBTP-UHFFFAOYSA-N 0 1 280.397 2.560 20 30 CFEDMN CC#CCN1CCC[C@H]1c1cc(OC)ccc1OC ZINC000157451550 378655752 /nfs/dbraw/zinc/65/57/52/378655752.db2.gz RBKJWDWILMHROU-HNNXBMFYSA-N 0 1 259.349 2.864 20 30 CFEDMN C[C@@H]1CCC[C@@](C#N)(NC(=O)c2cccc3nc[nH]c32)C1 ZINC000159578344 378718944 /nfs/dbraw/zinc/71/89/44/378718944.db2.gz IURPDDZKGBDQJR-BDJLRTHQSA-N 0 1 282.347 2.765 20 30 CFEDMN N#Cc1ccc(CN2CC[C@@]3(O)CCCC[C@@H]3C2)c(F)c1 ZINC000160442178 378772564 /nfs/dbraw/zinc/77/25/64/378772564.db2.gz ZTWDTWGVISTJJF-WBVHZDCISA-N 0 1 288.366 2.824 20 30 CFEDMN C=CCN(C)C(=O)[C@H](c1ccccc1)N(CC)CC ZINC000161477465 378849857 /nfs/dbraw/zinc/84/98/57/378849857.db2.gz LJUAGZDMUJGETO-HNNXBMFYSA-N 0 1 260.381 2.714 20 30 CFEDMN C#CCOc1ccc(CN(C)Cc2ccco2)cc1 ZINC000162164436 378897496 /nfs/dbraw/zinc/89/74/96/378897496.db2.gz RNOFGTVMJXIEAX-UHFFFAOYSA-N 0 1 255.317 2.924 20 30 CFEDMN N#Cc1ccc(CN2CCC[C@H](CO)CC2)c(Cl)c1 ZINC000334193393 378907815 /nfs/dbraw/zinc/90/78/15/378907815.db2.gz IMNSWLUUVRRWDT-LBPRGKRZSA-N 0 1 278.783 2.806 20 30 CFEDMN N#Cc1cccc(CN2CCC[C@H]2[C@H]2CCCO2)c1F ZINC000335316151 379072844 /nfs/dbraw/zinc/07/28/44/379072844.db2.gz IIFGQDQHAMGCDK-LSDHHAIUSA-N 0 1 274.339 2.841 20 30 CFEDMN CN1CCC[N@@H+](Cc2ccccc2C(C)(C)C#N)CC1 ZINC000335377419 379188452 /nfs/dbraw/zinc/18/84/52/379188452.db2.gz ZREZZGDOLHXYKI-UHFFFAOYSA-N 0 1 271.408 2.625 20 30 CFEDMN C=CC[C@H]1N(Cc2ncnn2CC)CCCC1(C)C ZINC000278819101 194169624 /nfs/dbraw/zinc/16/96/24/194169624.db2.gz IDLSJLASTUIWRV-CYBMUJFWSA-N 0 1 262.401 2.865 20 30 CFEDMN COc1cccc([C@H](C)N2CCN(CCCC#N)CC2)c1 ZINC000171706123 379380985 /nfs/dbraw/zinc/38/09/85/379380985.db2.gz QVBHCJZZIFWOKK-HNNXBMFYSA-N 0 1 287.407 2.678 20 30 CFEDMN C#CCCOc1ccc(CNCc2ccoc2)cc1 ZINC000172115236 379496969 /nfs/dbraw/zinc/49/69/69/379496969.db2.gz CXPZMTADYRSQLA-UHFFFAOYSA-N 0 1 255.317 2.972 20 30 CFEDMN C[C@@H]1C[C@H](CO)C[N@@H+](Cc2ccc(C#N)cc2Cl)C1 ZINC000335557363 379507889 /nfs/dbraw/zinc/50/78/89/379507889.db2.gz UXMBMSMYUNLLAD-YPMHNXCESA-N 0 1 278.783 2.662 20 30 CFEDMN C[C@@H]1C[C@H](CO)CN(Cc2ccc(C#N)cc2Cl)C1 ZINC000335557363 379507899 /nfs/dbraw/zinc/50/78/99/379507899.db2.gz UXMBMSMYUNLLAD-YPMHNXCESA-N 0 1 278.783 2.662 20 30 CFEDMN C[C@H]1C[C@@H](CO)C[N@@H+](Cc2ccc(C#N)cc2Cl)C1 ZINC000335557362 379508648 /nfs/dbraw/zinc/50/86/48/379508648.db2.gz UXMBMSMYUNLLAD-WCQYABFASA-N 0 1 278.783 2.662 20 30 CFEDMN C[C@H]1C[C@@H](CO)CN(Cc2ccc(C#N)cc2Cl)C1 ZINC000335557362 379508658 /nfs/dbraw/zinc/50/86/58/379508658.db2.gz UXMBMSMYUNLLAD-WCQYABFASA-N 0 1 278.783 2.662 20 30 CFEDMN C[C@H]1CN(Cc2ccc(CC#N)cc2)CC(C)(C)O1 ZINC000334589313 379583387 /nfs/dbraw/zinc/58/33/87/379583387.db2.gz RVYDMABPNYJPHD-ZDUSSCGKSA-N 0 1 258.365 2.752 20 30 CFEDMN CC#CCN1CC[C@@H](C(F)(F)F)C2(CCOCC2)C1 ZINC000334636699 379676822 /nfs/dbraw/zinc/67/68/22/379676822.db2.gz FFKWMNKUXSOWOX-GFCCVEGCSA-N 0 1 275.314 2.691 20 30 CFEDMN C=C1CCN(C(=O)c2cc(-c3ccccc3)[nH]n2)CC1 ZINC000264452369 383741260 /nfs/dbraw/zinc/74/12/60/383741260.db2.gz DVELYSIVCNDHPV-UHFFFAOYSA-N 0 1 267.332 2.869 20 30 CFEDMN N#Cc1cccc(CN2CCC(c3c[nH]cn3)CC2)c1F ZINC000335910523 380092875 /nfs/dbraw/zinc/09/28/75/380092875.db2.gz WNKYANGPXNAWME-UHFFFAOYSA-N 0 1 284.338 2.800 20 30 CFEDMN N#Cc1cccc(-c2nnc(CN3CCC4(CCC4)C3)o2)c1 ZINC000571970118 383743146 /nfs/dbraw/zinc/74/31/46/383743146.db2.gz QHOCXGSDHHAJGI-UHFFFAOYSA-N 0 1 294.358 2.984 20 30 CFEDMN Cc1ncc(C(=O)N2CCC[C@@H]2[C@@H](C#N)c2ccccc2)[nH]1 ZINC000336131148 380272166 /nfs/dbraw/zinc/27/21/66/380272166.db2.gz GSEXHXUDBHEKEJ-GOEBONIOSA-N 0 1 294.358 2.630 20 30 CFEDMN Cc1cc(CC(=O)Nc2ccc(C(C)(C)C#N)cc2)n[nH]1 ZINC000176377759 380224428 /nfs/dbraw/zinc/22/44/28/380224428.db2.gz ZMKGHILJRZWPNO-UHFFFAOYSA-N 0 1 282.347 2.701 20 30 CFEDMN Cc1ccc2nc(CNC(=O)c3cc(C#N)cs3)[nH]c2c1 ZINC000177129534 380307721 /nfs/dbraw/zinc/30/77/21/380307721.db2.gz STEAXDFQGMWFSQ-UHFFFAOYSA-N 0 1 296.355 2.735 20 30 CFEDMN C[C@@H]1[C@@H](C)CCN1CC(=O)Nc1ccc(C#N)c(Cl)c1 ZINC000177878829 380389159 /nfs/dbraw/zinc/38/91/59/380389159.db2.gz PAACLIKJNTYRDB-WDEREUQCSA-N 0 1 291.782 2.880 20 30 CFEDMN C[C@H](C(=O)N[C@@H]1CCCc2cn[nH]c21)c1cccc(C#N)c1 ZINC000336564966 380474303 /nfs/dbraw/zinc/47/43/03/380474303.db2.gz MVBVFKPXQVPULT-XHDPSFHLSA-N 0 1 294.358 2.579 20 30 CFEDMN Cc1cnn([C@@H]2CCN(Cc3ccc(C#N)c(F)c3)C2)c1 ZINC000336601793 380530585 /nfs/dbraw/zinc/53/05/85/380530585.db2.gz OYMNYQRKFUBGPV-OAHLLOKOSA-N 0 1 284.338 2.649 20 30 CFEDMN Cc1[nH]nc2cc(NC(=O)Cc3ccc(C#N)cc3)ccc12 ZINC000180338329 380646448 /nfs/dbraw/zinc/64/64/48/380646448.db2.gz BMGCWXQCEVVIME-UHFFFAOYSA-N 0 1 290.326 2.924 20 30 CFEDMN CCn1cc([C@H](C)NCc2ccc(OCC#N)cc2)cn1 ZINC000180560327 380675666 /nfs/dbraw/zinc/67/56/66/380675666.db2.gz NIHLYRQCXJHJEC-ZDUSSCGKSA-N 0 1 284.363 2.656 20 30 CFEDMN Cc1nc(N[C@H]2CCN(C3CC3)C2)c(Cl)cc1C#N ZINC000336815697 380676574 /nfs/dbraw/zinc/67/65/74/380676574.db2.gz IRACMABHDXIGQS-NSHDSACASA-N 0 1 276.771 2.564 20 30 CFEDMN C=CCCC[C@@H](C)NC(=O)N[C@@H](C)Cc1cc(C)[nH]n1 ZINC000180964921 380718369 /nfs/dbraw/zinc/71/83/69/380718369.db2.gz RSFFEFPXEUBUIH-NEPJUHHUSA-N 0 1 278.400 2.693 20 30 CFEDMN C=CCCC[C@H](C)NC(=O)N[C@H](C)Cc1cc(C)[nH]n1 ZINC000180964865 380718778 /nfs/dbraw/zinc/71/87/78/380718778.db2.gz RSFFEFPXEUBUIH-NWDGAFQWSA-N 0 1 278.400 2.693 20 30 CFEDMN Cc1[nH]ncc1CNc1ccccc1O[C@@H](C)C#N ZINC000181128890 380745118 /nfs/dbraw/zinc/74/51/18/380745118.db2.gz HCPLEWLXAYFCOA-JTQLQIEISA-N 0 1 256.309 2.621 20 30 CFEDMN C=CCNC(=O)CN[C@@H](c1ccc(F)cc1F)C(C)(C)C ZINC000181620346 380842839 /nfs/dbraw/zinc/84/28/39/380842839.db2.gz ZBYBLICCZJWLRF-HNNXBMFYSA-N 0 1 296.361 2.944 20 30 CFEDMN CC1=CCN(CCNC(=O)Nc2ccc(CC#N)cc2)CC1 ZINC000358438977 380848732 /nfs/dbraw/zinc/84/87/32/380848732.db2.gz PFJYJPFRFJPRIJ-UHFFFAOYSA-N 0 1 298.390 2.526 20 30 CFEDMN C=CCCCNC(=O)[C@@H](c1ccccc1)N(C)CC ZINC000279262387 194356686 /nfs/dbraw/zinc/35/66/86/194356686.db2.gz UBXVFSFMWJCBHD-OAHLLOKOSA-N 0 1 260.381 2.762 20 30 CFEDMN C=C(CC)CN(C)Cc1cc(C(=O)OC)c(C)o1 ZINC000358496816 380883939 /nfs/dbraw/zinc/88/39/39/380883939.db2.gz JJUJTQHVZGKQSJ-UHFFFAOYSA-N 0 1 251.326 2.773 20 30 CFEDMN Cc1nc([C@H]2CCCCN2Cc2ccc(C#N)cc2F)n[nH]1 ZINC000408473323 380930778 /nfs/dbraw/zinc/93/07/78/380930778.db2.gz LXDPEYNTJIUTML-OAHLLOKOSA-N 0 1 299.353 2.851 20 30 CFEDMN CCN1C[C@@H](C)N(Cc2cc(C#N)cs2)C[C@H]1C ZINC000353860378 380909932 /nfs/dbraw/zinc/90/99/32/380909932.db2.gz DRWCMCLTMWYFAL-VXGBXAGGSA-N 0 1 263.410 2.534 20 30 CFEDMN Cn1ccnc1CN[C@H](CCCC#N)c1ccccc1 ZINC000353916912 380954002 /nfs/dbraw/zinc/95/40/02/380954002.db2.gz RTXHCUNGTGQSOI-OAHLLOKOSA-N 0 1 268.364 2.945 20 30 CFEDMN C=CCC(C)(C)C(=O)N1C[C@@H](C)N(CC)C[C@H]1C ZINC000410638544 380985269 /nfs/dbraw/zinc/98/52/69/380985269.db2.gz QJBANHVJCLKCCR-CHWSQXEVSA-N 0 1 252.402 2.530 20 30 CFEDMN C[C@H](CC#N)N(C)CCCCC(=O)OC(C)(C)C ZINC000182003545 380962694 /nfs/dbraw/zinc/96/26/94/380962694.db2.gz QQKXTSJYEGGTDI-GFCCVEGCSA-N 0 1 254.374 2.732 20 30 CFEDMN COC(=O)[C@@H]1CCN(Cc2ccc(C#N)cc2Cl)[C@H]1C ZINC000347229662 381015298 /nfs/dbraw/zinc/01/52/98/381015298.db2.gz XNQKVSFFZJTUFW-GXFFZTMASA-N 0 1 292.766 2.595 20 30 CFEDMN C[C@@H]1[C@H](C)OCCN1CCC1(C#N)CCCCC1 ZINC000411330734 381023462 /nfs/dbraw/zinc/02/34/62/381023462.db2.gz SWWMGIKTKKQVKE-KGLIPLIRSA-N 0 1 250.386 2.960 20 30 CFEDMN C=C[C@@H](CO)N[C@@H](C)c1cc(C)ccc1OC(F)F ZINC000289574291 381051175 /nfs/dbraw/zinc/05/11/75/381051175.db2.gz BCPPQSDFJNKKNJ-QWRGUYRKSA-N 0 1 271.307 2.794 20 30 CFEDMN COC[C@H]1CN(CCC2(C#N)CCCCC2)C[C@H](C)O1 ZINC000411603498 381035822 /nfs/dbraw/zinc/03/58/22/381035822.db2.gz DUILEDLRDBWKGQ-LSDHHAIUSA-N 0 1 280.412 2.586 20 30 CFEDMN C[C@@]1(F)CCN(CCCOc2cccc(C#N)c2)C1 ZINC000347358288 381097185 /nfs/dbraw/zinc/09/71/85/381097185.db2.gz SGGSAFQEZUUGBV-OAHLLOKOSA-N 0 1 262.328 2.761 20 30 CFEDMN COC1([C@@H](C)NCc2cccc(F)c2C#N)CCC1 ZINC000412027043 381103020 /nfs/dbraw/zinc/10/30/20/381103020.db2.gz UQERXRYWDCWTMG-LLVKDONJSA-N 0 1 262.328 2.745 20 30 CFEDMN C=C[C@H](CO)N[C@@H](CC)c1ccccc1OC(F)F ZINC000289703316 381111733 /nfs/dbraw/zinc/11/17/33/381111733.db2.gz ITLIKGTXSYEJID-PWSUYJOCSA-N 0 1 271.307 2.876 20 30 CFEDMN C=CC[C@H](C(=O)NCc1n[nH]c(C(C)C)n1)c1ccccc1 ZINC000295846302 381112266 /nfs/dbraw/zinc/11/22/66/381112266.db2.gz VYNNPNFPEZXDAH-AWEZNQCLSA-N 0 1 298.390 2.904 20 30 CFEDMN C[C@@H](N[C@@H](C)c1cc2ccccc2o1)C(=O)N(C)CCC#N ZINC000182638131 381126092 /nfs/dbraw/zinc/12/60/92/381126092.db2.gz AAISAUOAWRNPQN-QWHCGFSZSA-N 0 1 299.374 2.844 20 30 CFEDMN CO[C@@H]1CC[N@@H+](Cc2cc(C#N)ccc2F)CC1(C)C ZINC000295950543 381176176 /nfs/dbraw/zinc/17/61/76/381176176.db2.gz JGHFLQMYAJAJPX-OAHLLOKOSA-N 0 1 276.355 2.944 20 30 CFEDMN CO[C@@H]1CCN(Cc2cc(C#N)ccc2F)CC1(C)C ZINC000295950543 381176178 /nfs/dbraw/zinc/17/61/78/381176178.db2.gz JGHFLQMYAJAJPX-OAHLLOKOSA-N 0 1 276.355 2.944 20 30 CFEDMN COc1cc(C[N@H+]2CC[C@H](C3CC3)C2)ccc1C#N ZINC000369111467 381195523 /nfs/dbraw/zinc/19/55/23/381195523.db2.gz HDXOCHCKGODCIC-HNNXBMFYSA-N 0 1 256.349 2.799 20 30 CFEDMN CC1(C)CN(Cc2cccc(C#N)c2)[C@@H]1[C@@H]1CCCO1 ZINC000289922804 381218525 /nfs/dbraw/zinc/21/85/25/381218525.db2.gz UTGXEEIZHJBHEE-JKSUJKDBSA-N 0 1 270.376 2.948 20 30 CFEDMN C#CCN1CCC(c2noc3cc(F)ccc32)CC1 ZINC000289889364 381205121 /nfs/dbraw/zinc/20/51/21/381205121.db2.gz RUMKVZQQRDSZGU-UHFFFAOYSA-N 0 1 258.296 2.780 20 30 CFEDMN C=CCCCCCN(C)Cc1ccccc1S(N)(=O)=O ZINC000289919039 381215798 /nfs/dbraw/zinc/21/57/98/381215798.db2.gz OLBUPSUWIMOMEO-UHFFFAOYSA-N 0 1 296.436 2.512 20 30 CFEDMN C=CCCOCCN[C@@H](COC)c1ccc(F)c(F)c1 ZINC000183397449 381266925 /nfs/dbraw/zinc/26/69/25/381266925.db2.gz XOOZHUSJEKDBQQ-HNNXBMFYSA-N 0 1 285.334 2.835 20 30 CFEDMN C=CCc1ccccc1OC[C@@H](O)CN1CCC(=C)CC1 ZINC000342217599 381221883 /nfs/dbraw/zinc/22/18/83/381221883.db2.gz WQVWUGTVYSTWDG-KRWDZBQOSA-N 0 1 287.403 2.807 20 30 CFEDMN C=C[C@@H](CO)N[C@@H](C)c1cc(Cl)c(OC)cc1OC ZINC000289933625 381222694 /nfs/dbraw/zinc/22/26/94/381222694.db2.gz VQWDLEFEUWRYGQ-UWVGGRQHSA-N 0 1 285.771 2.555 20 30 CFEDMN C=CCCCN(C)C(=O)c1cn[nH]c1-c1ccccn1 ZINC000354452882 381277301 /nfs/dbraw/zinc/27/73/01/381277301.db2.gz MJVSAIKWXKEIBF-UHFFFAOYSA-N 0 1 270.336 2.510 20 30 CFEDMN CC#CCC[N@@H+](C)[C@@H](CO)c1ccc(Cl)cc1 ZINC000296167833 381284062 /nfs/dbraw/zinc/28/40/62/381284062.db2.gz HQMVCSVBFSYLRI-AWEZNQCLSA-N 0 1 251.757 2.719 20 30 CFEDMN CC[C@@H](NCc1n[nH]c(C2CC2)n1)c1ccc(C#N)cc1 ZINC000296335444 381351157 /nfs/dbraw/zinc/35/11/57/381351157.db2.gz HNQRMCRLGAPWEJ-CQSZACIVSA-N 0 1 281.363 2.795 20 30 CFEDMN CCCCCCCN1CC[C@H](OC)C[C@H]1C(=O)OC ZINC000370229700 381409952 /nfs/dbraw/zinc/40/99/52/381409952.db2.gz DIEIZGLZAOJFPO-KBPBESRZSA-N 0 1 271.401 2.609 20 30 CFEDMN C=CCCN(C)Cc1nnc(-c2cccc(C#N)c2)o1 ZINC000342727164 381503498 /nfs/dbraw/zinc/50/34/98/381503498.db2.gz AZQURCJDNOFKDG-UHFFFAOYSA-N 0 1 268.320 2.616 20 30 CFEDMN CC[C@@H](C)N1CCN(C(=O)/C=C/c2cccc(C#N)c2)CC1 ZINC000296732233 381522920 /nfs/dbraw/zinc/52/29/20/381522920.db2.gz ABOVDVMAFZOXJM-MVGZEHJDSA-N 0 1 297.402 2.514 20 30 CFEDMN C#CCC(C)(C)C(=O)NC[C@H](C)N1CCc2ccccc2C1 ZINC000185064252 381525617 /nfs/dbraw/zinc/52/56/17/381525617.db2.gz IBWFVUBCSWKCRA-HNNXBMFYSA-N 0 1 298.430 2.599 20 30 CFEDMN CC#CCCCC(=O)NC[C@H](C)N1CCc2ccccc2C1 ZINC000185064317 381526024 /nfs/dbraw/zinc/52/60/24/381526024.db2.gz QVAGLGJHJDYVJC-INIZCTEOSA-N 0 1 298.430 2.743 20 30 CFEDMN Cc1c(C#N)cccc1NC(=O)c1cccc2cn[nH]c21 ZINC000355020249 381567918 /nfs/dbraw/zinc/56/79/18/381567918.db2.gz LUUPPNLKBBLGHU-UHFFFAOYSA-N 0 1 276.299 2.995 20 30 CFEDMN CC(C)c1nc([C@H](C)NCc2ccc(C#N)cc2F)n[nH]1 ZINC000342828107 381572160 /nfs/dbraw/zinc/57/21/60/381572160.db2.gz XWPBPWRYEDACER-JTQLQIEISA-N 0 1 287.342 2.790 20 30 CFEDMN CC(C)(CCC#N)CNCc1nccc(C(F)(F)F)n1 ZINC000414510652 381591064 /nfs/dbraw/zinc/59/10/64/381591064.db2.gz WBIQFYGCFWNQCL-UHFFFAOYSA-N 0 1 286.301 2.915 20 30 CFEDMN N#Cc1ccc(SCCN2C[C@H]3CC[C@@H](C2)O3)cc1 ZINC000359749282 381592938 /nfs/dbraw/zinc/59/29/38/381592938.db2.gz VAIRJMIUGUHQPF-OKILXGFUSA-N 0 1 274.389 2.514 20 30 CFEDMN N#Cc1ccc(CN2CCC([C@H]3CCOC3)CC2)c(F)c1 ZINC000371741949 381690098 /nfs/dbraw/zinc/69/00/98/381690098.db2.gz BNOOLEYSEJBYKJ-INIZCTEOSA-N 0 1 288.366 2.946 20 30 CFEDMN CC(C)(O)CN(Cc1ccccc1)CC1(C#N)CC1 ZINC000343406606 381691423 /nfs/dbraw/zinc/69/14/23/381691423.db2.gz VOGQZWASUYJGEX-UHFFFAOYSA-N 0 1 258.365 2.563 20 30 CFEDMN C=CCN(Cc1ccccc1)C(=O)NCc1cn[nH]c1C ZINC000298667510 381705628 /nfs/dbraw/zinc/70/56/28/381705628.db2.gz HFQIAOOKHVGMES-UHFFFAOYSA-N 0 1 284.363 2.616 20 30 CFEDMN C=CCN(CC=C)C(=O)NC[C@H](c1cccs1)N(C)C ZINC000298675692 381707154 /nfs/dbraw/zinc/70/71/54/381707154.db2.gz VOIHHRDGECKBQD-CYBMUJFWSA-N 0 1 293.436 2.734 20 30 CFEDMN C#CCC(C)(C)C(=O)Nc1ccc(-c2nnc[nH]2)cc1F ZINC000298763765 381741526 /nfs/dbraw/zinc/74/15/26/381741526.db2.gz VJAGJOOHHVOTFH-UHFFFAOYSA-N 0 1 286.310 2.599 20 30 CFEDMN C[C@H]1C[C@@H](O)CCN1CC#Cc1cccc(Cl)c1 ZINC000292288296 381798213 /nfs/dbraw/zinc/79/82/13/381798213.db2.gz CGWYIWGZIWLOSY-WFASDCNBSA-N 0 1 263.768 2.537 20 30 CFEDMN COC1(CN(C[C@H](C)C#N)C2CC2)CCCCC1 ZINC000361551219 381842549 /nfs/dbraw/zinc/84/25/49/381842549.db2.gz IQEBONYQZJMWBW-CYBMUJFWSA-N 0 1 250.386 2.960 20 30 CFEDMN CC[C@H](C(=O)NCC1(C#N)CCC1)N(C)Cc1ccccc1 ZINC000416344833 381887491 /nfs/dbraw/zinc/88/74/91/381887491.db2.gz DTNLFERIIIXHKU-MRXNPFEDSA-N 0 1 299.418 2.707 20 30 CFEDMN CN(Cc1ccc(C#N)c(F)c1)C[C@@H]1CCCCO1 ZINC000361691038 381857511 /nfs/dbraw/zinc/85/75/11/381857511.db2.gz ADDONRSTQBJLRF-AWEZNQCLSA-N 0 1 262.328 2.698 20 30 CFEDMN C=CCCC1(C(=O)N2C[C@@H](C)N(CC)C[C@H]2C)CC1 ZINC000361827068 381865822 /nfs/dbraw/zinc/86/58/22/381865822.db2.gz BLJABCCAFWRVFE-ZIAGYGMSSA-N 0 1 264.413 2.674 20 30 CFEDMN C#CC[C@@H](NCc1n[nH]c(C(C)(C)C)n1)c1ccccc1 ZINC000292866393 381873091 /nfs/dbraw/zinc/87/30/91/381873091.db2.gz HDHOFRDEQGFSTN-CQSZACIVSA-N 0 1 282.391 2.956 20 30 CFEDMN Cc1cc([C@H]2CCC[N@@H+](CC#Cc3ccccc3)C2)n[nH]1 ZINC000372814981 381873471 /nfs/dbraw/zinc/87/34/71/381873471.db2.gz PROHYHXCPJEDOM-KRWDZBQOSA-N 0 1 279.387 2.949 20 30 CFEDMN Cc1cc([C@H]2CCCN(CC#Cc3ccccc3)C2)n[nH]1 ZINC000372814981 381873476 /nfs/dbraw/zinc/87/34/76/381873476.db2.gz PROHYHXCPJEDOM-KRWDZBQOSA-N 0 1 279.387 2.949 20 30 CFEDMN Cc1cc([C@H]2CCCN(CC#Cc3ccccc3)C2)[nH]n1 ZINC000372814981 381873488 /nfs/dbraw/zinc/87/34/88/381873488.db2.gz PROHYHXCPJEDOM-KRWDZBQOSA-N 0 1 279.387 2.949 20 30 CFEDMN Cc1cc([C@@H]2CCC[N@@H+](CC#Cc3ccccc3)C2)n[nH]1 ZINC000372814983 381874453 /nfs/dbraw/zinc/87/44/53/381874453.db2.gz PROHYHXCPJEDOM-QGZVFWFLSA-N 0 1 279.387 2.949 20 30 CFEDMN Cc1cc([C@@H]2CCCN(CC#Cc3ccccc3)C2)n[nH]1 ZINC000372814983 381874458 /nfs/dbraw/zinc/87/44/58/381874458.db2.gz PROHYHXCPJEDOM-QGZVFWFLSA-N 0 1 279.387 2.949 20 30 CFEDMN Cc1cc([C@@H]2CCCN(CC#Cc3ccccc3)C2)[nH]n1 ZINC000372814983 381874462 /nfs/dbraw/zinc/87/44/62/381874462.db2.gz PROHYHXCPJEDOM-QGZVFWFLSA-N 0 1 279.387 2.949 20 30 CFEDMN C=C(C)[C@H](N[C@H]1CCOC1)c1ccc(F)c(F)c1 ZINC000186454319 381914779 /nfs/dbraw/zinc/91/47/79/381914779.db2.gz FYXKYANKEJZSBU-FZMZJTMJSA-N 0 1 253.292 2.961 20 30 CFEDMN C#CCN1CCC(C(=O)N(CC)c2ccccc2F)CC1 ZINC000299445921 381944331 /nfs/dbraw/zinc/94/43/31/381944331.db2.gz QRKDFBXPTWKHBK-UHFFFAOYSA-N 0 1 288.366 2.524 20 30 CFEDMN CN(CC#Cc1ccc(C(F)(F)F)cc1)CC1(CO)CC1 ZINC000186764861 382007028 /nfs/dbraw/zinc/00/70/28/382007028.db2.gz IHZRCQCNMMOLAI-UHFFFAOYSA-N 0 1 297.320 2.761 20 30 CFEDMN CCN1C[C@@H](C)N(C(=O)[C@H](C)c2cccc(C#N)c2)[C@@H](C)C1 ZINC000362277779 381987575 /nfs/dbraw/zinc/98/75/75/381987575.db2.gz HUGIDGYQJJEMRI-QLFBSQMISA-N 0 1 299.418 2.603 20 30 CFEDMN CC(C)[C@@H]1CN(CC#Cc2ccc(F)cc2)CCCO1 ZINC000293239897 382044063 /nfs/dbraw/zinc/04/40/63/382044063.db2.gz SSLYMUNSWJAAQW-KRWDZBQOSA-N 0 1 275.367 2.924 20 30 CFEDMN C=C(C)[C@@H](NCc1n[nH]c(C)n1)c1ccc(F)c(F)c1 ZINC000293246330 382046828 /nfs/dbraw/zinc/04/68/28/382046828.db2.gz RFKUCWXNTMJMOF-CQSZACIVSA-N 0 1 278.306 2.798 20 30 CFEDMN Cn1nccc1C1C[C@H]2CC[C@@H](C1)N2C[C@H](C#N)CCC#N ZINC000374767797 382054375 /nfs/dbraw/zinc/05/43/75/382054375.db2.gz OXIOUXPSALCKQV-HNSVSWJLSA-N 0 1 297.406 2.574 20 30 CFEDMN C[C@@H]1CN(CC(=O)Nc2cccc(C#N)c2)CC(C)(C)C1 ZINC000344015993 382070349 /nfs/dbraw/zinc/07/03/49/382070349.db2.gz DQDJNKDTEPQDJQ-ZDUSSCGKSA-N 0 1 285.391 2.865 20 30 CFEDMN C=C[C@@H](C)NC(=O)NC[C@H](c1ccc(C)o1)N1CCCC1 ZINC000362381356 382037905 /nfs/dbraw/zinc/03/79/05/382037905.db2.gz XHXIIIOCEZQZKF-TZMCWYRMSA-N 0 1 291.395 2.599 20 30 CFEDMN C=C[C@H](C)NC(=O)NC[C@@H](c1ccc(C)o1)N1CCCC1 ZINC000362381354 382038462 /nfs/dbraw/zinc/03/84/62/382038462.db2.gz XHXIIIOCEZQZKF-JSGCOSHPSA-N 0 1 291.395 2.599 20 30 CFEDMN C=CCC[C@H](NC(=O)[C@H]1C[C@H]1c1nc[nH]n1)c1ccccc1 ZINC000376257323 382127808 /nfs/dbraw/zinc/12/78/08/382127808.db2.gz IULIPINURMOUNI-ILXRZTDVSA-N 0 1 296.374 2.732 20 30 CFEDMN C=CCC[C@H](N[C@@H]1CC(=O)N([C@H]2C[C@@H]2C)C1)c1ccco1 ZINC000375852632 382107882 /nfs/dbraw/zinc/10/78/82/382107882.db2.gz NYSQQVRVFOBETF-XGUBFFRZSA-N 0 1 288.391 2.886 20 30 CFEDMN N#Cc1c(C[N@H+]2CCC[C@@H]3COCC[C@@H]32)cn2ccccc12 ZINC000362455755 382079248 /nfs/dbraw/zinc/07/92/48/382079248.db2.gz TXHATMUMPOLLMZ-PBHICJAKSA-N 0 1 295.386 2.812 20 30 CFEDMN CCn1nc(C)c(CNCc2ccc(C#N)s2)c1C ZINC000344048106 382093886 /nfs/dbraw/zinc/09/38/86/382093886.db2.gz ADCYRGCZXJHGIF-UHFFFAOYSA-N 0 1 274.393 2.743 20 30 CFEDMN CC(C)Oc1ccc(C#N)cc1NCc1n[nH]c(C2CC2)n1 ZINC000187403974 382174132 /nfs/dbraw/zinc/17/41/32/382174132.db2.gz BEYHCJOCMNREHD-UHFFFAOYSA-N 0 1 297.362 2.953 20 30 CFEDMN C=CCN(C)C(=O)c1[nH]nc2ccc(Br)cc21 ZINC000187646057 382235756 /nfs/dbraw/zinc/23/57/56/382235756.db2.gz UBSHJPVIKHCVHR-UHFFFAOYSA-N 0 1 294.152 2.583 20 30 CFEDMN C=CCC(C)(C)CNC(=O)c1cccc(-c2nnc[nH]2)c1 ZINC000293851885 382306358 /nfs/dbraw/zinc/30/63/58/382306358.db2.gz VBLWBSOEODNLFD-UHFFFAOYSA-N 0 1 284.363 2.804 20 30 CFEDMN C=CCC(CC=C)C(=O)N1C[C@@H](C)N(CC)C[C@@H]1C ZINC000345896574 382321139 /nfs/dbraw/zinc/32/11/39/382321139.db2.gz ADUHRGMILDZTMH-KGLIPLIRSA-N 0 1 264.413 2.696 20 30 CFEDMN CCOC1CC2(C1)CCN(Cc1ccc(C#N)o1)C2 ZINC000377697796 382324085 /nfs/dbraw/zinc/32/40/85/382324085.db2.gz JAYSBBCEWYPODI-UHFFFAOYSA-N 0 1 260.337 2.542 20 30 CFEDMN C#CCN(C(=O)c1c(O)cccc1F)C1CCCC1 ZINC000188033277 382328757 /nfs/dbraw/zinc/32/87/57/382328757.db2.gz GQTANHBWHZNSCA-UHFFFAOYSA-N 0 1 261.296 2.549 20 30 CFEDMN C[C@H]1CC[C@](CO)(N(C)Cc2ccc(F)cc2C#N)C1 ZINC000188031665 382328971 /nfs/dbraw/zinc/32/89/71/382328971.db2.gz SABGUDSBSYDZLO-LRDDRELGSA-N 0 1 276.355 2.680 20 30 CFEDMN Cc1noc(C2(C)CCN(Cc3cccc(C#N)c3)CC2)n1 ZINC000357805855 382331476 /nfs/dbraw/zinc/33/14/76/382331476.db2.gz NUIXMHRWDHVXQV-UHFFFAOYSA-N 0 1 296.374 2.803 20 30 CFEDMN COc1ccc(C#N)cc1CN1CC[C@@H](n2cc(C)cn2)C1 ZINC000377761896 382336901 /nfs/dbraw/zinc/33/69/01/382336901.db2.gz MJMLSRKKHVTEMV-MRXNPFEDSA-N 0 1 296.374 2.519 20 30 CFEDMN Cc1c[nH]cc1C(=O)[C@H](C#N)c1nc2cccc(C)c2[nH]1 ZINC000345365367 382299359 /nfs/dbraw/zinc/29/93/59/382299359.db2.gz AMXGFOBWTFTEIX-NSHDSACASA-N 0 1 278.315 2.998 20 30 CFEDMN CCN(CCCN1CCC(F)(C#N)CC1)CC(F)(F)F ZINC000352483288 382356956 /nfs/dbraw/zinc/35/69/56/382356956.db2.gz ICRUBDRXZGZJFS-UHFFFAOYSA-N 0 1 295.324 2.588 20 30 CFEDMN Cc1ccccc1NC(=O)CCN1CCC(F)(C#N)CC1 ZINC000352484101 382357664 /nfs/dbraw/zinc/35/76/64/382357664.db2.gz LMENYBATZBMMDF-UHFFFAOYSA-N 0 1 289.354 2.651 20 30 CFEDMN CC(=O)c1ccc(NC(=O)c2ccc(C#N)c(O)c2)cc1 ZINC000188234357 382373016 /nfs/dbraw/zinc/37/30/16/382373016.db2.gz GAHWKSYHTYCNBO-UHFFFAOYSA-N 0 1 280.283 2.719 20 30 CFEDMN N#Cc1c(F)ccc(CN[C@@H]2C[C@H]3CC[C@@H]2O3)c1Cl ZINC000365463881 382397767 /nfs/dbraw/zinc/39/77/67/382397767.db2.gz JLMQREHINJBHLI-WQAKAFBOSA-N 0 1 280.730 2.760 20 30 CFEDMN Cc1cc([C@H]2CCCN(c3c(C#N)cccc3C#N)C2)[nH]n1 ZINC000365464131 382397781 /nfs/dbraw/zinc/39/77/81/382397781.db2.gz SSJQZIXYGMIOFI-HNNXBMFYSA-N 0 1 291.358 2.845 20 30 CFEDMN N#CCCCCNc1nc(C2CCCC2)ns1 ZINC000420580212 382410737 /nfs/dbraw/zinc/41/07/37/382410737.db2.gz DZDWZKPMYBNEES-UHFFFAOYSA-N 0 1 250.371 2.723 20 30 CFEDMN C=CCN(CCc1ccco1)Cc1ccnc(C)n1 ZINC000352835600 382478331 /nfs/dbraw/zinc/47/83/31/382478331.db2.gz YJTKPOVPDBWGOT-UHFFFAOYSA-N 0 1 257.337 2.609 20 30 CFEDMN C=CCCN(C)C(=O)[C@H]1CCc2[nH]c(C(C)C)nc2C1 ZINC000346819091 382529222 /nfs/dbraw/zinc/52/92/22/382529222.db2.gz DSOARVVEGICIEI-LBPRGKRZSA-N 0 1 275.396 2.673 20 30 CFEDMN C[C@H](N(C)Cc1ccc(C#N)cc1Cl)C(C)(C)O ZINC000382972389 382538644 /nfs/dbraw/zinc/53/86/44/382538644.db2.gz RBBYOYWCLKEDOT-JTQLQIEISA-N 0 1 266.772 2.803 20 30 CFEDMN CC(C)(C#N)CCCCN1CC[S@@](=O)C(C)(C)CC1 ZINC000322164642 382540236 /nfs/dbraw/zinc/54/02/36/382540236.db2.gz NAQGVCWUVRTMKB-LJQANCHMSA-N 0 1 284.469 2.939 20 30 CFEDMN CCc1nc(CNc2cc(Cl)ccc2C#N)n[nH]1 ZINC000294891799 382541549 /nfs/dbraw/zinc/54/15/49/382541549.db2.gz HEQSTFIHAOMZFC-UHFFFAOYSA-N 0 1 261.716 2.504 20 30 CFEDMN Cc1c(Cl)cnc(NCc2n[nH]c(C(C)C)n2)c1C#N ZINC000294950105 382545984 /nfs/dbraw/zinc/54/59/84/382545984.db2.gz LYUNDSVFULQFBN-UHFFFAOYSA-N 0 1 290.758 2.769 20 30 CFEDMN C#CCOc1ccc(CNCc2ccc(C)o2)cc1 ZINC000294960502 382552118 /nfs/dbraw/zinc/55/21/18/382552118.db2.gz IHENQXVEJLNRKU-UHFFFAOYSA-N 0 1 255.317 2.890 20 30 CFEDMN N#Cc1ccsc1C(=O)Nc1cccc(-c2cn[nH]n2)c1 ZINC000346874465 382554180 /nfs/dbraw/zinc/55/41/80/382554180.db2.gz FKTXFODBVKZIFI-UHFFFAOYSA-N 0 1 295.327 2.657 20 30 CFEDMN CC(C)c1nc2c([nH]1)CC[C@@H](C(=O)Nc1cn[nH]c1)C2 ZINC000328618520 382554626 /nfs/dbraw/zinc/55/46/26/382554626.db2.gz DUQQZNCBUOQMSQ-SECBINFHSA-N 0 1 273.340 2.649 20 30 CFEDMN O=C(NC1(c2nnc[nH]2)CCC1)[C@H]1CCCC(F)(F)C1 ZINC000328653710 382559506 /nfs/dbraw/zinc/55/95/06/382559506.db2.gz LGAQVOQNSPSGDN-VIFPVBQESA-N 0 1 284.310 2.966 20 30 CFEDMN COc1ccc(C#N)cc1CN1CC[C@H](SC)C1 ZINC000382859549 382537880 /nfs/dbraw/zinc/53/78/80/382537880.db2.gz AQBJXQPHOJHJCY-ZDUSSCGKSA-N 0 1 262.378 2.504 20 30 CFEDMN COc1cnccc1[C@H](C)NCc1ccc(C#N)cc1 ZINC000189546753 382622632 /nfs/dbraw/zinc/62/26/32/382622632.db2.gz NUYNBPLEYBTFBB-LBPRGKRZSA-N 0 1 267.332 2.813 20 30 CFEDMN CCc1nnc(SCc2ccc(C#N)c(F)c2)[nH]1 ZINC000190988714 382687446 /nfs/dbraw/zinc/68/74/46/382687446.db2.gz CRNAKKSYPKQVTO-UHFFFAOYSA-N 0 1 262.313 2.670 20 30 CFEDMN CCc1n[nH]c(SCc2ccc(C#N)c(F)c2)n1 ZINC000190988714 382687447 /nfs/dbraw/zinc/68/74/47/382687447.db2.gz CRNAKKSYPKQVTO-UHFFFAOYSA-N 0 1 262.313 2.670 20 30 CFEDMN C[C@H](C#N)CN[C@H]1CC[C@@H](C)N(C(=O)OC(C)(C)C)C1 ZINC000398984266 382636738 /nfs/dbraw/zinc/63/67/38/382636738.db2.gz AACKQECGVSHMQE-UPJWGTAASA-N 0 1 281.400 2.524 20 30 CFEDMN Cn1cc(CNC2(c3cccc(F)c3)CC2)cc1C#N ZINC000191161777 382693827 /nfs/dbraw/zinc/69/38/27/382693827.db2.gz PCRJULNPEIKWFU-UHFFFAOYSA-N 0 1 269.323 2.815 20 30 CFEDMN CO[C@]1(C)C[C@@H]([N@@H+](C)Cc2cc(C#N)n(C)c2)C1(C)C ZINC000191434659 382700340 /nfs/dbraw/zinc/70/03/40/382700340.db2.gz POGHMMLOVIDMAI-GDBMZVCRSA-N 0 1 275.396 2.532 20 30 CFEDMN C=CCN(C/C=C/c1ccccc1[N+](=O)[O-])CCOC ZINC000191757173 382702297 /nfs/dbraw/zinc/70/22/97/382702297.db2.gz CSFZIUYBYGXUHI-SOFGYWHQSA-N 0 1 276.336 2.742 20 30 CFEDMN COc1cc(C=C(C)c2nc(C)c(C#N)c(=O)[nH]2)ccc1C ZINC000193611286 382721505 /nfs/dbraw/zinc/72/15/05/382721505.db2.gz MEEMHXRGNKCRPL-YRNVUSSQSA-N 0 1 295.342 2.828 20 30 CFEDMN CCN(CC)C(=O)CN(CC)[C@@H](C)c1ccc(C#N)cc1 ZINC000193760578 382724610 /nfs/dbraw/zinc/72/46/10/382724610.db2.gz TWWSXLIBXDVUNH-AWEZNQCLSA-N 0 1 287.407 2.810 20 30 CFEDMN C=CCN(CCc1ccco1)Cc1cnc(OC)nc1C ZINC000337176417 382771929 /nfs/dbraw/zinc/77/19/29/382771929.db2.gz IWUMQRKLOZYAGO-UHFFFAOYSA-N 0 1 287.363 2.617 20 30 CFEDMN C=CCN1CC[C@H](N(CC(=C)C)Cc2ccccc2)C1=O ZINC000337253709 382786496 /nfs/dbraw/zinc/78/64/96/382786496.db2.gz SEPCJZHPQSQEFX-KRWDZBQOSA-N 0 1 284.403 2.852 20 30 CFEDMN C=C(C)COCCNCc1cccc(O)c1Cl ZINC000336904816 382739924 /nfs/dbraw/zinc/73/99/24/382739924.db2.gz WKPHOTLXILEPOJ-UHFFFAOYSA-N 0 1 255.745 2.728 20 30 CFEDMN C[C@](CO)(NCc1cc(C#N)cs1)c1ccccc1 ZINC000224162576 382809464 /nfs/dbraw/zinc/80/94/64/382809464.db2.gz DSANVNIVSGXXAG-OAHLLOKOSA-N 0 1 272.373 2.617 20 30 CFEDMN C[C@@H]1CCN(CC(=O)Nc2cccc(C#N)c2)[C@@H](C)C1 ZINC000225719872 382820593 /nfs/dbraw/zinc/82/05/93/382820593.db2.gz XDZCCTCQXKFYML-OLZOCXBDSA-N 0 1 271.364 2.617 20 30 CFEDMN N#Cc1ccc(NC(=O)CN2CCC[C@@H]3CCC[C@H]32)cc1 ZINC000228012884 382843303 /nfs/dbraw/zinc/84/33/03/382843303.db2.gz ONPKNMFKCCMCJC-GOEBONIOSA-N 0 1 283.375 2.761 20 30 CFEDMN N#Cc1c(Cl)cccc1NCCN1CCSCC1 ZINC000230938384 382863801 /nfs/dbraw/zinc/86/38/01/382863801.db2.gz GJQCPZGYMCYEHD-UHFFFAOYSA-N 0 1 281.812 2.672 20 30 CFEDMN Cc1c(C#N)cccc1C(=O)N1C[C@H]2CCCCN2C[C@@H]1C ZINC000337852694 382871434 /nfs/dbraw/zinc/87/14/34/382871434.db2.gz JVTZLVMWGLPZFT-XJKSGUPXSA-N 0 1 297.402 2.566 20 30 CFEDMN COc1cc(CN[C@H](C)c2ccccn2)ccc1C#N ZINC000234950567 382875724 /nfs/dbraw/zinc/87/57/24/382875724.db2.gz PHPULGWHSCIDBC-GFCCVEGCSA-N 0 1 267.332 2.813 20 30 CFEDMN COc1cc(CNCc2cnccc2C)ccc1C#N ZINC000234931896 382875726 /nfs/dbraw/zinc/87/57/26/382875726.db2.gz YAUIYWDNXGOPIU-UHFFFAOYSA-N 0 1 267.332 2.560 20 30 CFEDMN N#CCNC(=O)CN1CCCCC[C@@H]1/C=C\c1ccccc1 ZINC000441185471 382899799 /nfs/dbraw/zinc/89/97/99/382899799.db2.gz ZUOUNFDERMBRSM-QXPKXGMISA-N 0 1 297.402 2.584 20 30 CFEDMN CC[C@@]1(C)CN(Cc2ccc(CC#N)cc2)CCO1 ZINC000442880804 382963844 /nfs/dbraw/zinc/96/38/44/382963844.db2.gz FULZFPHBMZQDAP-INIZCTEOSA-N 0 1 258.365 2.754 20 30 CFEDMN N#CCC1CCN(CC(=O)NCCC2CCCCC2)CC1 ZINC000541018702 382964904 /nfs/dbraw/zinc/96/49/04/382964904.db2.gz CUMHAOAPIZWEHR-UHFFFAOYSA-N 0 1 291.439 2.699 20 30 CFEDMN CC1CCC(N(C)C(=O)CN2CCC(CC#N)CC2)CC1 ZINC000541022938 382964982 /nfs/dbraw/zinc/96/49/82/382964982.db2.gz OWQQFRDQOYRSFD-UHFFFAOYSA-N 0 1 291.439 2.649 20 30 CFEDMN C=C(CC)CN1CCC[C@@H](OCC(F)(F)F)C1 ZINC000540201902 382962421 /nfs/dbraw/zinc/96/24/21/382962421.db2.gz APMXVVIOTAVDQZ-LLVKDONJSA-N 0 1 251.292 2.996 20 30 CFEDMN N#C[C@H]1CC[C@@H](NCc2ccncc2OCC(F)(F)F)C1 ZINC000442866135 382962644 /nfs/dbraw/zinc/96/26/44/382962644.db2.gz KGELCXPBBZDIEP-CMPLNLGQSA-N 0 1 299.296 2.805 20 30 CFEDMN COC(=O)c1cccc(CN2CC[C@@H](C3CC3)C2)c1C#N ZINC000534278193 382921101 /nfs/dbraw/zinc/92/11/01/382921101.db2.gz JATOVWCRYKSLNP-CYBMUJFWSA-N 0 1 284.359 2.577 20 30 CFEDMN COC(=O)c1cccc(CN(C)[C@@H](C)C2(C)CC2)c1C#N ZINC000534468387 382931793 /nfs/dbraw/zinc/93/17/93/382931793.db2.gz CBBRVIJXUCYVDO-LBPRGKRZSA-N 0 1 286.375 2.965 20 30 CFEDMN C[C@H](C(=O)N(C)C1CCCCC1)N1CCC(CC#N)CC1 ZINC000543810401 382973427 /nfs/dbraw/zinc/97/34/27/382973427.db2.gz PVFWQGDPQGTQGV-CQSZACIVSA-N 0 1 291.439 2.792 20 30 CFEDMN C=C(C)CN1CCC([C@@](C)(O)C(F)(F)F)CC1 ZINC000545224443 382977049 /nfs/dbraw/zinc/97/70/49/382977049.db2.gz ADBNEDANFMVILV-LLVKDONJSA-N 0 1 251.292 2.588 20 30 CFEDMN COC(=O)[C@H]1C[C@H](C)CCN1CCCCC(C)(C)C#N ZINC000444691032 382977631 /nfs/dbraw/zinc/97/76/31/382977631.db2.gz WTMDTFCHQUYSRO-ZIAGYGMSSA-N 0 1 280.412 2.980 20 30 CFEDMN C=C(C)CN(CC)C(=O)CN1CC[C@H](CC(F)(F)F)C1 ZINC000444704182 382978187 /nfs/dbraw/zinc/97/81/87/382978187.db2.gz KYSZNQIGMLMUQM-GFCCVEGCSA-N 0 1 292.345 2.685 20 30 CFEDMN C=CC[C@H]1N(CC(=O)NCC(F)(F)F)CCCC1(C)C ZINC000444791964 382982422 /nfs/dbraw/zinc/98/24/22/382982422.db2.gz NYZVVIISCWRYLV-LLVKDONJSA-N 0 1 292.345 2.732 20 30 CFEDMN C=C(C)C[C@H](C)C(=O)N=c1cc(-c2ccc(C)o2)[nH][nH]1 ZINC000447798880 383006650 /nfs/dbraw/zinc/00/66/50/383006650.db2.gz BUHVQAFVGONFPP-JTQLQIEISA-N 0 1 273.336 2.941 20 30 CFEDMN COCCN(CCCC(C)(C)C#N)Cc1cncs1 ZINC000447834798 383015543 /nfs/dbraw/zinc/01/55/43/383015543.db2.gz RUWCBLIHADKVCB-UHFFFAOYSA-N 0 1 281.425 2.921 20 30 CFEDMN CC#CCCNC(=O)[C@@H]1CCCCN1Cc1ccccc1 ZINC000541747526 382966072 /nfs/dbraw/zinc/96/60/72/382966072.db2.gz JQOUWRSPDDDKEW-KRWDZBQOSA-N 0 1 284.403 2.571 20 30 CFEDMN C=CCN(CC=C)C(=O)CN1CCS[C@H]2CCCC[C@H]21 ZINC000246123060 383062779 /nfs/dbraw/zinc/06/27/79/383062779.db2.gz LMZHXNGGNJSICS-CABCVRRESA-N 0 1 294.464 2.547 20 30 CFEDMN COC(=O)c1cccc(CN2C[C@@H](C)C[C@@H]2C)c1C#N ZINC000550389960 383024618 /nfs/dbraw/zinc/02/46/18/383024618.db2.gz YPEYOOFHRIFENE-RYUDHWBXSA-N 0 1 272.348 2.575 20 30 CFEDMN N#CCCN1CCN(Cc2ccccc2C2CC2)CC1 ZINC000593968935 383124326 /nfs/dbraw/zinc/12/43/26/383124326.db2.gz OMUCZTREQGUVSC-UHFFFAOYSA-N 0 1 269.392 2.595 20 30 CFEDMN C=CCCCCCN(C)Cc1c(C)nnn1CC ZINC000449029580 383143200 /nfs/dbraw/zinc/14/32/00/383143200.db2.gz OZLVXPKQDHUZHN-UHFFFAOYSA-N 0 1 250.390 2.785 20 30 CFEDMN C=CCCCN(C)CN1CCN(C(=O)OC(C)(C)C)C1=O ZINC000496336855 383089339 /nfs/dbraw/zinc/08/93/39/383089339.db2.gz CAJQNPQPDRKQAZ-UHFFFAOYSA-N 0 1 297.399 2.515 20 30 CFEDMN C=C(C)C[N@H+]1C[C@H](C2CCCCC2)C[C@@H]1C(=O)[O-] ZINC000583511759 383090704 /nfs/dbraw/zinc/09/07/04/383090704.db2.gz WRKBGKSTJSHCML-ZIAGYGMSSA-N 0 1 251.370 2.918 20 30 CFEDMN N#CCC[C@@H](C#N)CNCCc1cc(C(F)(F)F)ccn1 ZINC000584459879 383105492 /nfs/dbraw/zinc/10/54/92/383105492.db2.gz LHENDPWOSHVVHF-NSHDSACASA-N 0 1 296.296 2.676 20 30 CFEDMN N#Cc1c(CN2CC[C@@H]3OCCC[C@H]3C2)cn2ccccc12 ZINC000246830424 383110141 /nfs/dbraw/zinc/11/01/41/383110141.db2.gz SMPLPTGJTMWGPZ-KSSFIOAISA-N 0 1 295.386 2.812 20 30 CFEDMN C=CCOCCN(Cc1cccs1)[C@H]1C=C[C@H](CO)C1 ZINC000339197093 383182966 /nfs/dbraw/zinc/18/29/66/383182966.db2.gz FYYTXXZVHOOBLL-GJZGRUSLSA-N 0 1 293.432 2.690 20 30 CFEDMN CCN(CCCN(C)c1ccccc1)C[C@H](C)C#N ZINC000566156679 383184800 /nfs/dbraw/zinc/18/48/00/383184800.db2.gz IFFPKUKKIKRFQS-OAHLLOKOSA-N 0 1 259.397 2.994 20 30 CFEDMN N#CCCCN[C@H]1CCc2cc(F)c(F)c(F)c21 ZINC000449234739 383185056 /nfs/dbraw/zinc/18/50/56/383185056.db2.gz QYROILMYHUDMTB-JTQLQIEISA-N 0 1 254.255 2.985 20 30 CFEDMN C=C(C)CN(CC)C(=O)[C@@H](C)N1CC[C@@H](OCC(C)C)C1 ZINC000247700295 383192609 /nfs/dbraw/zinc/19/26/09/383192609.db2.gz UNJBJKLQNAXIGF-HZPDHXFCSA-N 0 1 296.455 2.546 20 30 CFEDMN CC[C@@H](CC#N)NC[C@@H](O)COc1c(C)ccc(C)c1C ZINC000566628864 383196015 /nfs/dbraw/zinc/19/60/15/383196015.db2.gz UVTNBQFSYJKTPR-JKSUJKDBSA-N 0 1 290.407 2.633 20 30 CFEDMN COC(=O)c1cccc(CN2CCCC23CCC3)c1C#N ZINC000518680350 383205851 /nfs/dbraw/zinc/20/58/51/383205851.db2.gz JOKNVYAYDFIHTO-UHFFFAOYSA-N 0 1 284.359 2.863 20 30 CFEDMN N#C[C@@H]1CC[C@@H](N[C@H](CO)c2cccc(Cl)c2F)C1 ZINC000339157519 383169690 /nfs/dbraw/zinc/16/96/90/383169690.db2.gz ZOMZLSYXMORCPM-GIPNMCIBSA-N 0 1 282.746 2.794 20 30 CFEDMN N#Cc1csc(CNC[C@@H]2CSc3ccccc32)n1 ZINC000449356291 383236076 /nfs/dbraw/zinc/23/60/76/383236076.db2.gz BRKIWECXLMFEBY-SNVBAGLBSA-N 0 1 287.413 2.994 20 30 CFEDMN C=CCCCCN1CCN(C(=O)c2ccc(O)cc2)CC1 ZINC000519863885 383243168 /nfs/dbraw/zinc/24/31/68/383243168.db2.gz JQDPIGJSBRQKQN-UHFFFAOYSA-N 0 1 288.391 2.506 20 30 CFEDMN C[C@@H](C(=O)N(C)CCC#N)N1CCC[C@H]1c1cccs1 ZINC000249110799 383327777 /nfs/dbraw/zinc/32/77/77/383327777.db2.gz MVHUAGGVBWYFLQ-STQMWFEESA-N 0 1 291.420 2.646 20 30 CFEDMN CC(C)[C@@H]1CCN(Cc2c(C#N)cccc2[N+](=O)[O-])C1 ZINC000459342093 383285810 /nfs/dbraw/zinc/28/58/10/383285810.db2.gz KJMYYZLAJDEMFU-CYBMUJFWSA-N 0 1 273.336 2.944 20 30 CFEDMN CC1(C)COc2c1cccc2C(=O)C(C#N)c1ccncn1 ZINC000521389284 383294400 /nfs/dbraw/zinc/29/44/00/383294400.db2.gz HKANFDACNOYXMM-LBPRGKRZSA-N 0 1 293.326 2.637 20 30 CFEDMN CO[C@@H]1CN(Cc2ccc(C#N)cc2F)CC[C@H]1C ZINC000251441611 383388385 /nfs/dbraw/zinc/38/83/85/383388385.db2.gz BFGYVRWFWWCIHS-IAQYHMDHSA-N 0 1 262.328 2.554 20 30 CFEDMN C=C[C@@H]1CCCCN1Cc1cc2c(c(OC)c1)OCO2 ZINC000426550768 383405443 /nfs/dbraw/zinc/40/54/43/383405443.db2.gz CUXMLBAIXKLRCO-CYBMUJFWSA-N 0 1 275.348 2.964 20 30 CFEDMN C=C(CC)C[N@H+]1CC[C@@](C(=O)[O-])(c2ccccc2)C1 ZINC000568522845 383412221 /nfs/dbraw/zinc/41/22/21/383412221.db2.gz FRCQZYUBPUERKE-INIZCTEOSA-N 0 1 259.349 2.681 20 30 CFEDMN C=CCCN(C)CC(=O)N[C@H](C)CCCC(C)C ZINC000467286025 383351342 /nfs/dbraw/zinc/35/13/42/383351342.db2.gz OHQJBFNCHALLEA-CQSZACIVSA-N 0 1 254.418 2.825 20 30 CFEDMN C=CC[N@H+](Cc1ccc(OC)cc1)CC1(C(=O)[O-])CC1 ZINC000568060468 383351535 /nfs/dbraw/zinc/35/15/35/383351535.db2.gz DYRXNZGPYVDPAZ-UHFFFAOYSA-N 0 1 275.348 2.548 20 30 CFEDMN C[C@]1(NCc2cccc(F)c2C#N)CCO[C@@H]1C1CC1 ZINC000428343619 383454790 /nfs/dbraw/zinc/45/47/90/383454790.db2.gz HAKVTIBXDMMWQV-CVEARBPZSA-N 0 1 274.339 2.745 20 30 CFEDMN Cc1n[nH]c([C@H]2CCCN(Cc3cccc(F)c3C#N)C2)n1 ZINC000428347617 383456092 /nfs/dbraw/zinc/45/60/92/383456092.db2.gz NNSYFDJKUNGTHR-ZDUSSCGKSA-N 0 1 299.353 2.504 20 30 CFEDMN Cc1nnc([C@H]2CCCN(Cc3cccc(F)c3C#N)C2)[nH]1 ZINC000428347617 383456095 /nfs/dbraw/zinc/45/60/95/383456095.db2.gz NNSYFDJKUNGTHR-ZDUSSCGKSA-N 0 1 299.353 2.504 20 30 CFEDMN C=CCn1c(CC(C)C)n[n-]c1=[NH+]c1cccc(OC)c1 ZINC000569038051 383462458 /nfs/dbraw/zinc/46/24/58/383462458.db2.gz XDJNZHCWPRTZMM-UHFFFAOYSA-N 0 1 286.379 2.837 20 30 CFEDMN C=CCN(C)Cc1nc2c(s1)CN(C(C)C)CC2 ZINC000428381149 383462790 /nfs/dbraw/zinc/46/27/90/383462790.db2.gz FPQARXNHAQXINB-UHFFFAOYSA-N 0 1 265.426 2.527 20 30 CFEDMN C[C@H](c1ccccc1)[C@H](O)CN(CCC#N)CC1CC1 ZINC000450462293 383419894 /nfs/dbraw/zinc/41/98/94/383419894.db2.gz FQOLBEFUCOKJJJ-RHSMWYFYSA-N 0 1 272.392 2.777 20 30 CFEDMN Cc1cc(CN[C@H](C)c2ccc(C#N)cc2)nc(C)n1 ZINC000340615717 383488254 /nfs/dbraw/zinc/48/82/54/383488254.db2.gz FTAAHBUKERBPDL-GFCCVEGCSA-N 0 1 266.348 2.816 20 30 CFEDMN C[C@@H]1CC[C@@H](N(C)CC(=O)Nc2sccc2C#N)C1 ZINC000429579570 383550039 /nfs/dbraw/zinc/55/00/39/383550039.db2.gz RCGREUWCXQLGSJ-ZYHUDNBSSA-N 0 1 277.393 2.679 20 30 CFEDMN Cc1nn(C)cc1[C@@H](C)NCc1ccc(C#N)c(C)c1 ZINC000488132516 383498681 /nfs/dbraw/zinc/49/86/81/383498681.db2.gz WNQLAYMXDPRUNW-GFCCVEGCSA-N 0 1 268.364 2.759 20 30 CFEDMN Cc1nn(C)cc1[C@H](C)NCc1ccc(C#N)c(C)c1 ZINC000488132517 383498752 /nfs/dbraw/zinc/49/87/52/383498752.db2.gz WNQLAYMXDPRUNW-LBPRGKRZSA-N 0 1 268.364 2.759 20 30 CFEDMN CN(CC#Cc1ccccc1Cl)C1(CO)CCC1 ZINC000429251191 383507397 /nfs/dbraw/zinc/50/73/97/383507397.db2.gz CAYXVSQVHBXPNU-UHFFFAOYSA-N 0 1 263.768 2.538 20 30 CFEDMN C=CC[C@@H]1[N@@H+](Cc2cc(C(=O)[O-])nn2C)CCCC1(C)C ZINC000635312540 383531110 /nfs/dbraw/zinc/53/11/10/383531110.db2.gz CHFHKUVMBXSIDF-AWEZNQCLSA-N 0 1 291.395 2.685 20 30 CFEDMN C=CCOc1ccccc1-c1nc(C2(N)CCC2)no1 ZINC000261882057 383575093 /nfs/dbraw/zinc/57/50/93/383575093.db2.gz WKXHCVAFWNHQPY-UHFFFAOYSA-N 0 1 271.320 2.639 20 30 CFEDMN CC(C)(C)c1cnc(C(C#N)C(=O)c2cncnc2)s1 ZINC000430593044 383594578 /nfs/dbraw/zinc/59/45/78/383594578.db2.gz RWLIODXWHTYMDU-SNVBAGLBSA-N 0 1 286.360 2.721 20 30 CFEDMN Cn1nccc1C(=O)C(C#N)c1ncc(C(C)(C)C)s1 ZINC000430583199 383594643 /nfs/dbraw/zinc/59/46/43/383594643.db2.gz MOLCGCFDKWAVGL-VIFPVBQESA-N 0 1 288.376 2.664 20 30 CFEDMN C=CCCCCCNC(=O)NCCCc1cn[nH]c1C ZINC000570407869 383601810 /nfs/dbraw/zinc/60/18/10/383601810.db2.gz OBQZGWNXIPNEMV-UHFFFAOYSA-N 0 1 278.400 2.696 20 30 CFEDMN CC(=Cc1ccc(F)cc1)c1nc(C)c(C#N)c(=O)[nH]1 ZINC000570469168 383606821 /nfs/dbraw/zinc/60/68/21/383606821.db2.gz AJUDCIWZKSBFSX-VQHVLOKHSA-N 0 1 269.279 2.650 20 30 CFEDMN COc1ccc(C#N)cc1CN1CC[C@H](OC)C(C)(C)C1 ZINC000451567865 383648585 /nfs/dbraw/zinc/64/85/85/383648585.db2.gz QTGBJLWYUWFKQP-INIZCTEOSA-N 0 1 288.391 2.814 20 30 CFEDMN C[C@H](NCCOc1ccc(C#N)cc1)c1ncccc1F ZINC000528826770 383648570 /nfs/dbraw/zinc/64/85/70/383648570.db2.gz YEGDTIDAERGFPP-LBPRGKRZSA-N 0 1 285.322 2.822 20 30 CFEDMN CCC[C@H](C)[C@@H](CO)NCc1cccc(F)c1C#N ZINC000570573031 383614769 /nfs/dbraw/zinc/61/47/69/383614769.db2.gz FIYHXBVQTSGZDM-XHDPSFHLSA-N 0 1 264.344 2.584 20 30 CFEDMN C=CC[C@H](Cc1ccccc1)NC(=O)[C@@H](C)Cc1cnc[nH]1 ZINC000570695922 383627271 /nfs/dbraw/zinc/62/72/71/383627271.db2.gz GHJRFZAFCMPTQM-GOEBONIOSA-N 0 1 297.402 2.892 20 30 CFEDMN C[C@@H]1CC(F)(F)CCN1C[C@H](O)c1ccc(C#N)cc1 ZINC000528771560 383632849 /nfs/dbraw/zinc/63/28/49/383632849.db2.gz XXBOVEWAZRZMPU-RISCZKNCSA-N 0 1 280.318 2.711 20 30 CFEDMN CC(C)[C@@H]1CN(C(=O)[C@@H](C)C#N)CCN1Cc1ccccc1 ZINC000529802258 383755446 /nfs/dbraw/zinc/75/54/46/383755446.db2.gz GALWMBCDPYGQKI-RDJZCZTQSA-N 0 1 299.418 2.515 20 30 CFEDMN C=CCOc1ccccc1CNCc1cccn(CC)c1=O ZINC000433197890 383756119 /nfs/dbraw/zinc/75/61/19/383756119.db2.gz URQAKRXSRGRBNY-UHFFFAOYSA-N 0 1 298.386 2.723 20 30 CFEDMN C[N@@H+](CC1CCN(C(=O)C(C)(C)C)CC1)CC(C)(C)C#N ZINC000433289864 383757529 /nfs/dbraw/zinc/75/75/29/383757529.db2.gz RIPYKFCIQRMCSI-UHFFFAOYSA-N 0 1 293.455 2.753 20 30 CFEDMN Cc1ccccc1[C@@H](CO)NCc1cc(C#N)cs1 ZINC000530640291 383780136 /nfs/dbraw/zinc/78/01/36/383780136.db2.gz IIZNBOCSRKQROF-OAHLLOKOSA-N 0 1 272.373 2.751 20 30 CFEDMN C=CCCCCN(C)Cc1nc(-c2cccnc2)no1 ZINC000571032591 383661016 /nfs/dbraw/zinc/66/10/16/383661016.db2.gz MUGXKWAQLZJGFN-UHFFFAOYSA-N 0 1 272.352 2.920 20 30 CFEDMN C=CCN(CCOC)CCc1c(F)cccc1F ZINC000645890255 383781409 /nfs/dbraw/zinc/78/14/09/383781409.db2.gz RYJCCOMGMISJQI-UHFFFAOYSA-N 0 1 255.308 2.642 20 30 CFEDMN CC[C@H](O)[C@H]1CCCCN1Cc1cc(C#N)ccc1F ZINC000265163861 383849088 /nfs/dbraw/zinc/84/90/88/383849088.db2.gz CGJKRXHSFWQLIA-CVEARBPZSA-N 0 1 276.355 2.823 20 30 CFEDMN C=CCN(CCC#N)C(=O)c1ccc(O)c(Cl)c1 ZINC000436838699 383897808 /nfs/dbraw/zinc/89/78/08/383897808.db2.gz NJEASSVXYHEWPH-UHFFFAOYSA-N 0 1 264.712 2.587 20 30 CFEDMN C[C@H]1CCC[C@@](C#N)(NC(=O)c2cccc3n[nH]cc32)C1 ZINC000265356343 383901031 /nfs/dbraw/zinc/90/10/31/383901031.db2.gz LHSMRTLUNIMHDN-MEDUHNTESA-N 0 1 282.347 2.765 20 30 CFEDMN C=CCCCN(C)C(=O)c1cc(C)cc2c[nH]nc21 ZINC000265662619 383971062 /nfs/dbraw/zinc/97/10/62/383971062.db2.gz XOYSPTDPILTEAD-UHFFFAOYSA-N 0 1 257.337 2.910 20 30 CFEDMN C[C@@H]1CCCC[C@H]1NC(=O)CN1CCC(CCC#N)CC1 ZINC000573917567 384011283 /nfs/dbraw/zinc/01/12/83/384011283.db2.gz YNGDTMXLIVRGTD-GDBMZVCRSA-N 0 1 291.439 2.697 20 30 CFEDMN CN(Cc1ccc(C#N)cc1[N+](=O)[O-])[C@@H]1CC1(C)C ZINC000574043152 384034580 /nfs/dbraw/zinc/03/45/80/384034580.db2.gz JRDCXMAZPPGCBF-CYBMUJFWSA-N 0 1 259.309 2.697 20 30 CFEDMN Cc1n[nH]c(C(=O)N[C@H](CCC#N)c2ccccc2)c1C ZINC000439663201 384038430 /nfs/dbraw/zinc/03/84/30/384038430.db2.gz BGQTWBRHNUMIET-CQSZACIVSA-N 0 1 282.347 2.801 20 30 CFEDMN C=CCNC(=O)CN(Cc1cccc(F)c1)C1CCCC1 ZINC000532652600 384056958 /nfs/dbraw/zinc/05/69/58/384056958.db2.gz GECWKZIOSAUPIR-UHFFFAOYSA-N 0 1 290.382 2.873 20 30 CFEDMN COc1cc(CN[C@H](C)c2ccncc2OC)ccc1C#N ZINC000440636244 384118089 /nfs/dbraw/zinc/11/80/89/384118089.db2.gz KHMLMXNHVIWLTH-GFCCVEGCSA-N 0 1 297.358 2.821 20 30 CFEDMN C=CCN1C(=O)N=NC1SCc1ccc(C)c(OC)c1 ZINC000641466645 384200623 /nfs/dbraw/zinc/20/06/23/384200623.db2.gz ZJCUEENMYKLGQO-UHFFFAOYSA-N 0 1 291.376 2.779 20 30 CFEDMN C#CCN(CC)CCc1nc(-c2ccc(Cl)cc2)no1 ZINC000266922818 384263187 /nfs/dbraw/zinc/26/31/87/384263187.db2.gz MPILNUFUAKBFFJ-UHFFFAOYSA-N 0 1 289.766 2.888 20 30 CFEDMN CC#CC(=O)Nc1cccc(CN2CCSCC2)c1C ZINC000277339246 384271223 /nfs/dbraw/zinc/27/12/23/384271223.db2.gz DKQWGAXFXIXGMI-UHFFFAOYSA-N 0 1 288.416 2.506 20 30 CFEDMN CC#CC[C@H](CO)NCc1ccc(-c2ccccc2)o1 ZINC000641768543 384335508 /nfs/dbraw/zinc/33/55/08/384335508.db2.gz BXWQHYPHLLKUAY-OAHLLOKOSA-N 0 1 269.344 2.811 20 30 CFEDMN C#CCN(CC)Cc1ccc(OC(F)F)c(OC)c1 ZINC000267313253 384355628 /nfs/dbraw/zinc/35/56/28/384355628.db2.gz NDBURULRRMTHAK-UHFFFAOYSA-N 0 1 269.291 2.752 20 30 CFEDMN CC#CC[C@H](CO)NCc1ccc(-c2ccncc2)cc1F ZINC000641767693 384333213 /nfs/dbraw/zinc/33/32/13/384333213.db2.gz OIVRMANXSIRQER-QGZVFWFLSA-N 0 1 298.361 2.752 20 30 CFEDMN CC#CC[C@@H](CO)NCc1ccc(Oc2ccccc2)o1 ZINC000641767967 384333396 /nfs/dbraw/zinc/33/33/96/384333396.db2.gz STGQIRGXQPTZBL-AWEZNQCLSA-N 0 1 285.343 2.936 20 30 CFEDMN C=CCCCC(=O)N[C@H](C)c1n[nH]c([C@H](C)CC)n1 ZINC000277762094 384398802 /nfs/dbraw/zinc/39/88/02/384398802.db2.gz IIGXBYHGTWGTKV-GHMZBOCLSA-N 0 1 264.373 2.852 20 30 CFEDMN C[C@@H](O)C1CCN(CC#Cc2ccc(Cl)cc2)CC1 ZINC000267424654 384387910 /nfs/dbraw/zinc/38/79/10/384387910.db2.gz XGGZSOYDEROZPS-CYBMUJFWSA-N 0 1 277.795 2.784 20 30 CFEDMN C[C@H]1CN(CC(=O)Nc2cc(Cl)ccc2C#N)C[C@H]1C ZINC000267783024 384463878 /nfs/dbraw/zinc/46/38/78/384463878.db2.gz IEAVVSMKXSWUMU-PHIMTYICSA-N 0 1 291.782 2.738 20 30 CFEDMN C[C@@H]1CN(CC(=O)Nc2cc(Cl)ccc2C#N)C[C@H]1C ZINC000267783022 384464198 /nfs/dbraw/zinc/46/41/98/384464198.db2.gz IEAVVSMKXSWUMU-GHMZBOCLSA-N 0 1 291.782 2.738 20 30 CFEDMN C#C[C@H](C)NCc1c(C)nn(-c2ccc(F)cc2)c1C ZINC000289392917 197326301 /nfs/dbraw/zinc/32/63/01/197326301.db2.gz NTQOQOPRCCYROD-NSHDSACASA-N 0 1 271.339 2.740 20 30 CFEDMN CC1(C)CN(Cc2ccc(C#N)cc2)[C@@H]1[C@H]1CCCO1 ZINC000289369559 197315647 /nfs/dbraw/zinc/31/56/47/197315647.db2.gz AQNBOEMXKZKSBU-HZPDHXFCSA-N 0 1 270.376 2.948 20 30 CFEDMN CC1(C)CN(Cc2ccc(C#N)cc2)[C@H]1[C@@H]1CCCO1 ZINC000289369557 197314764 /nfs/dbraw/zinc/31/47/64/197314764.db2.gz AQNBOEMXKZKSBU-HOTGVXAUSA-N 0 1 270.376 2.948 20 30 CFEDMN N#Cc1ccc(CN2CCc3ccccc3[C@@H]2CO)cc1 ZINC000268181560 384556733 /nfs/dbraw/zinc/55/67/33/384556733.db2.gz WGGFGNGKQAXXBK-SFHVURJKSA-N 0 1 278.355 2.650 20 30 CFEDMN C[C@@H]1CN(C2CC2)C[C@@H]1Nc1ncc(C#N)cc1Cl ZINC000268187777 384559758 /nfs/dbraw/zinc/55/97/58/384559758.db2.gz UZPLGTCZPRJLTR-RNCFNFMXSA-N 0 1 276.771 2.501 20 30 CFEDMN C=CCN(C[C@@H]1CC(C)=C[C@@H](C)C1)[C@@H]1CCS(=O)(=O)C1 ZINC000278489089 384586403 /nfs/dbraw/zinc/58/64/03/384586403.db2.gz BHLLRFVPMAYVBX-VNQPRFMTSA-N 0 1 297.464 2.654 20 30 CFEDMN C=CCN(C[C@@H]1CC(C)=C[C@H](C)C1)[C@H]1CCS(=O)(=O)C1 ZINC000278489082 384587321 /nfs/dbraw/zinc/58/73/21/384587321.db2.gz BHLLRFVPMAYVBX-BPUTZDHNSA-N 0 1 297.464 2.654 20 30 CFEDMN C#CCn1ccc(CN(CC)CCc2ccccc2F)n1 ZINC000279826644 384778115 /nfs/dbraw/zinc/77/81/15/384778115.db2.gz ZBWKVWAOZZSMNO-UHFFFAOYSA-N 0 1 285.366 2.720 20 30 CFEDMN C=CCC[C@H](NC(=O)[C@H]1CCCN1C)c1ccccc1 ZINC000269405725 384755767 /nfs/dbraw/zinc/75/57/67/384755767.db2.gz NFYKRFBDYDQEFD-JKSUJKDBSA-N 0 1 272.392 2.904 20 30 CFEDMN CN(C)c1ncc(CNC2(c3cccc(C#N)c3)CC2)s1 ZINC000269605202 384801625 /nfs/dbraw/zinc/80/16/25/384801625.db2.gz JWMGDXJPKGYMKX-UHFFFAOYSA-N 0 1 298.415 2.860 20 30 CFEDMN CC[N@H+](CC#Cc1cccc(Cl)c1)CCOC ZINC000269610620 384803753 /nfs/dbraw/zinc/80/37/53/384803753.db2.gz YMSNSVQQOVXDDG-UHFFFAOYSA-N 0 1 251.757 2.660 20 30 CFEDMN CCN(CC#Cc1cccc(Cl)c1)CCOC ZINC000269610620 384803762 /nfs/dbraw/zinc/80/37/62/384803762.db2.gz YMSNSVQQOVXDDG-UHFFFAOYSA-N 0 1 251.757 2.660 20 30 CFEDMN CC#CCN[C@@H](C)c1ccc(Br)cn1 ZINC000279918809 384812751 /nfs/dbraw/zinc/81/27/51/384812751.db2.gz ABDCFFQSEHDAIZ-VIFPVBQESA-N 0 1 253.143 2.518 20 30 CFEDMN COCC#CCN1CCC(c2ccc(F)cc2C)CC1 ZINC000644703256 385010136 /nfs/dbraw/zinc/01/01/36/385010136.db2.gz UOELTTGQFHYDAV-UHFFFAOYSA-N 0 1 275.367 2.963 20 30 CFEDMN C=CCc1cc(CN[C@@H](C)c2cn[nH]c2)cc(OC)c1O ZINC000270198841 385012262 /nfs/dbraw/zinc/01/22/62/385012262.db2.gz LWVFDXAPXMNWAB-NSHDSACASA-N 0 1 287.363 2.703 20 30 CFEDMN COc1cc(C#N)ccc1OCCN1CC=C(C)CC1 ZINC000270384960 385083077 /nfs/dbraw/zinc/08/30/77/385083077.db2.gz WXWRSEBLDAJOJW-UHFFFAOYSA-N 0 1 272.348 2.598 20 30 CFEDMN C=CCCCNC(=O)NC[C@H](c1cccc(F)c1)N(C)C ZINC000280663681 385105822 /nfs/dbraw/zinc/10/58/22/385105822.db2.gz OQTORRUGBBFERU-OAHLLOKOSA-N 0 1 293.386 2.694 20 30 CFEDMN C=C[C@H](CC(=O)N[C@@H](C)c1n[nH]c(CC)n1)c1ccccc1 ZINC000270595420 385158948 /nfs/dbraw/zinc/15/89/48/385158948.db2.gz CEHMCPLKSSIODN-QWHCGFSZSA-N 0 1 298.390 2.904 20 30 CFEDMN CC(C)c1nc([C@H](C)NCc2cccc(C#N)c2)n[nH]1 ZINC000270742381 385211528 /nfs/dbraw/zinc/21/15/28/385211528.db2.gz VNAGKADXCNRGRG-NSHDSACASA-N 0 1 269.352 2.651 20 30 CFEDMN C=C(C)CN(Cc1ccc(CO)o1)C[C@H](CCC)OC ZINC000639162973 385266097 /nfs/dbraw/zinc/26/60/97/385266097.db2.gz VPMHLPIXZRMZIU-AWEZNQCLSA-N 0 1 281.396 2.965 20 30 CFEDMN C#CCN(CC)C(=O)c1c(O)cc(Cl)cc1Cl ZINC000270928508 385273804 /nfs/dbraw/zinc/27/38/04/385273804.db2.gz TUEMLYRLTAOTPW-UHFFFAOYSA-N 0 1 272.131 2.794 20 30 CFEDMN C#CCCCSc1nc([O-])cc(=O)n1C1CCCC1 ZINC000270961242 385283560 /nfs/dbraw/zinc/28/35/60/385283560.db2.gz XSLKXTCPTMLCEV-UHFFFAOYSA-N 0 1 278.377 2.570 20 30 CFEDMN C#CCCN1CCN([C@@H](C)c2ccc(F)c(F)c2)CC1 ZINC000272009544 385425051 /nfs/dbraw/zinc/42/50/51/385425051.db2.gz JYPHGXZQZODDHN-ZDUSSCGKSA-N 0 1 278.346 2.667 20 30 CFEDMN CCc1nc([C@H](C)N[C@@H](C)c2ccc(OCC#N)cc2)n[nH]1 ZINC000271827272 385393593 /nfs/dbraw/zinc/39/35/93/385393593.db2.gz DFEWHABHTPJCHZ-RYUDHWBXSA-N 0 1 299.378 2.681 20 30 CFEDMN C#CCC(C)(C)c1nc(-c2ccn3cncc3c2)no1 ZINC000289005068 197211845 /nfs/dbraw/zinc/21/18/45/197211845.db2.gz DOBZJKACOGRDHQ-UHFFFAOYSA-N 0 1 266.304 2.685 20 30 CFEDMN C=CCCCCNC(=O)c1cccc2nc(C)[nH]c21 ZINC000283240875 385449930 /nfs/dbraw/zinc/44/99/30/385449930.db2.gz UBRAAIOJZNIIFW-UHFFFAOYSA-N 0 1 257.337 2.957 20 30 CFEDMN C=CCN(CCc1ccco1)C(=O)c1cc(C(C)C)[nH]n1 ZINC000272422564 385533553 /nfs/dbraw/zinc/53/35/53/385533553.db2.gz GQQJQGWBJWUCSX-UHFFFAOYSA-N 0 1 287.363 2.997 20 30 CFEDMN C#CCCCN1CCc2c(ncn2-c2ccccc2)C1 ZINC000272575159 385567289 /nfs/dbraw/zinc/56/72/89/385567289.db2.gz RFQSURDGTSBRQW-UHFFFAOYSA-N 0 1 265.360 2.644 20 30 CFEDMN C=CCS(=O)(=O)CCN[C@H]1CCc2cc(Cl)ccc21 ZINC000272798713 385619328 /nfs/dbraw/zinc/61/93/28/385619328.db2.gz AWVFDXVNCMSSAJ-AWEZNQCLSA-N 0 1 299.823 2.518 20 30 CFEDMN C=CCS(=O)(=O)CCN[C@@H](C)c1ccc(CCC)cc1 ZINC000272832405 385627478 /nfs/dbraw/zinc/62/74/78/385627478.db2.gz HZHXXKQBGJMMHE-AWEZNQCLSA-N 0 1 295.448 2.891 20 30 CFEDMN C=C(C)CN(Cc1ccc(CO)o1)C[C@H]1CC(C)(C)CO1 ZINC000639641143 385627834 /nfs/dbraw/zinc/62/78/34/385627834.db2.gz HTWOQETXRSRBOS-MRXNPFEDSA-N 0 1 293.407 2.965 20 30 CFEDMN C=CCS(=O)(=O)CCN[C@H](C)c1ccc(C)c(C)c1 ZINC000272886667 385641869 /nfs/dbraw/zinc/64/18/69/385641869.db2.gz RRVUXBPJDDREBE-CQSZACIVSA-N 0 1 281.421 2.555 20 30 CFEDMN C[C@H](NCCCC#N)c1cc(Br)ncc1F ZINC000273808242 385695594 /nfs/dbraw/zinc/69/55/94/385695594.db2.gz AHWCIYNQERNCJR-QMMMGPOBSA-N 0 1 286.148 2.938 20 30 CFEDMN C=C(C)C[C@H](C)C(=O)N[C@@H](C)c1n[nH]c(C(C)C)n1 ZINC000274493338 385811515 /nfs/dbraw/zinc/81/15/15/385811515.db2.gz KLOUTJLPIBTRER-QWRGUYRKSA-N 0 1 264.373 2.708 20 30 CFEDMN N#Cc1cccc(C2(NCc3cncc(F)c3)CC2)c1 ZINC000275072181 385926765 /nfs/dbraw/zinc/92/67/65/385926765.db2.gz XBYNMCNWHWOBGN-UHFFFAOYSA-N 0 1 267.307 2.871 20 30 CFEDMN C=C(C)CCN1CCN(C(=O)c2cc3ccccc3[nH]2)CC1 ZINC000274750490 385862943 /nfs/dbraw/zinc/86/29/43/385862943.db2.gz AQVQSSSTJQJIGV-UHFFFAOYSA-N 0 1 297.402 2.892 20 30 CFEDMN C=CCCN(C)[C@H](C)C(=O)N(CC)c1ccccc1 ZINC000276377735 385987373 /nfs/dbraw/zinc/98/73/73/385987373.db2.gz HTPHGAJECLTBEO-CQSZACIVSA-N 0 1 260.381 2.936 20 30 CFEDMN Cc1cc(C2CCN(CC#Cc3ccccc3)CC2)n[nH]1 ZINC000277018368 386109691 /nfs/dbraw/zinc/10/96/91/386109691.db2.gz QSIKWFSSAGIHKB-UHFFFAOYSA-N 0 1 279.387 2.949 20 30 CFEDMN C=CCCS(=O)(=O)Nc1ncsc1C(C)C ZINC000288269201 197040633 /nfs/dbraw/zinc/04/06/33/197040633.db2.gz QFFAXYJOFOKONO-UHFFFAOYSA-N 0 1 260.384 2.584 20 30 CFEDMN CCC#C[C@@H](C)N1CC[C@@]2(C1)OCc1ccccc12 ZINC000681168066 542421274 /nfs/dbraw/zinc/42/12/74/542421274.db2.gz KUHWVZKLWBBPAP-PBHICJAKSA-N 0 1 255.361 2.920 20 30 CFEDMN CCn1nccc1C(=O)[C@@H](C#N)c1nc2cccc(C)c2[nH]1 ZINC000681357654 542443364 /nfs/dbraw/zinc/44/33/64/542443364.db2.gz FRNFFRHGYCWMNM-LLVKDONJSA-N 0 1 293.330 2.578 20 30 CFEDMN N#C[C@@H]1CC[C@@H](NCc2nccn2CCc2ccccc2)C1 ZINC000574870240 335053608 /nfs/dbraw/zinc/05/36/08/335053608.db2.gz MFUZAWMEYWLCEX-IAGOWNOFSA-N 0 1 294.402 2.908 20 30 CFEDMN CN(C)[C@@H](CNC(=O)CCCC#N)c1ccc(Cl)cc1 ZINC000575037644 335057525 /nfs/dbraw/zinc/05/75/25/335057525.db2.gz SBEWQCRZUDQGBL-AWEZNQCLSA-N 0 1 293.798 2.753 20 30 CFEDMN C=CCCCCNC(=O)c1cc(F)cc2nc[nH]c21 ZINC000274719479 542540885 /nfs/dbraw/zinc/54/08/85/542540885.db2.gz SAIOBEIKFCCKHN-UHFFFAOYSA-N 0 1 261.300 2.788 20 30 CFEDMN C=CC[C@@H](CC)NC(=O)c1sccc1CN(C)C ZINC000281781882 195379906 /nfs/dbraw/zinc/37/99/06/195379906.db2.gz RPYOKPGYUQDUHI-GFCCVEGCSA-N 0 1 266.410 2.894 20 30 CFEDMN COc1cc(CNCc2sc(C)nc2C)ccc1C#N ZINC000281631892 195315525 /nfs/dbraw/zinc/31/55/25/195315525.db2.gz IHDWTIBWVRTJHI-UHFFFAOYSA-N 0 1 287.388 2.930 20 30 CFEDMN C=CCOCCNCc1nc2ccc(OC)cc2s1 ZINC000682730424 542585451 /nfs/dbraw/zinc/58/54/51/542585451.db2.gz BCHMIFALEIUBAW-UHFFFAOYSA-N 0 1 278.377 2.597 20 30 CFEDMN Oc1ccc2c(c1)CCN(CC#Cc1ccccc1)CC2 ZINC000683015403 542627732 /nfs/dbraw/zinc/62/77/32/542627732.db2.gz FXILUQWDCCFERO-UHFFFAOYSA-N 0 1 277.367 2.845 20 30 CFEDMN C#CCCCC(=O)NC[C@@H](c1ccc(C)o1)N1CCCC1 ZINC000192014796 130351224 /nfs/dbraw/zinc/35/12/24/130351224.db2.gz QPLUFMPGQDWLAW-HNNXBMFYSA-N 0 1 288.391 2.645 20 30 CFEDMN C[C@@H](C(=O)Nc1ccccc1C#N)N1CC[C@@H](C)[C@@H]1C ZINC000248345642 131114797 /nfs/dbraw/zinc/11/47/97/131114797.db2.gz MZWMZYJYMHWQKH-AGIUHOORSA-N 0 1 271.364 2.616 20 30 CFEDMN CN(CC(=O)Nc1sccc1C#N)CC(C)(C)C ZINC000263762381 131325005 /nfs/dbraw/zinc/32/50/05/131325005.db2.gz IESVZUAWYIBOCX-UHFFFAOYSA-N 0 1 265.382 2.536 20 30 CFEDMN C[C@@H]1CCCCN1CCNc1ncc(C#N)cc1Cl ZINC000263797295 131333281 /nfs/dbraw/zinc/33/32/81/131333281.db2.gz PDKJEEBORSHRTI-LLVKDONJSA-N 0 1 278.787 2.893 20 30 CFEDMN N#Cc1ccc(OC2CCN(Cc3ccccn3)CC2)cc1 ZINC000264137464 131399546 /nfs/dbraw/zinc/39/95/46/131399546.db2.gz PPXCUGIQLZLHGH-UHFFFAOYSA-N 0 1 293.370 2.997 20 30 CFEDMN C[C@@H](N[C@@H](C)c1cnn(C)c1)c1cccc(C#N)c1 ZINC000268929277 132089601 /nfs/dbraw/zinc/08/96/01/132089601.db2.gz LTYNEFIEUWDUFY-NEPJUHHUSA-N 0 1 254.337 2.704 20 30 CFEDMN C[C@H]1CCCC[N@H+]1CCNCc1ccc(C#N)cc1F ZINC000269429592 132169654 /nfs/dbraw/zinc/16/96/54/132169654.db2.gz PBGVRGIAOWRVSP-ZDUSSCGKSA-N 0 1 275.371 2.661 20 30 CFEDMN Cc1cc(C)n([C@@H](C)C(=O)NCCN2CC=C(C)CC2)n1 ZINC000329505888 393540648 /nfs/dbraw/zinc/54/06/48/393540648.db2.gz AKTRLCIUEZUBQT-HNNXBMFYSA-N 0 1 290.411 2.669 20 30 CFEDMN CCCCCCCS(=O)(=O)N[C@@H]1CCCc2cn[nH]c21 ZINC000374205931 393487923 /nfs/dbraw/zinc/48/79/23/393487923.db2.gz RNABHVDADMAPLJ-CYBMUJFWSA-N 0 1 299.440 2.677 20 30 CFEDMN Cc1cc(C#N)ccc1CN1CCCN(CC(F)F)CC1 ZINC000186316098 393543385 /nfs/dbraw/zinc/54/33/85/393543385.db2.gz RFURPHDSNIOJOT-UHFFFAOYSA-N 0 1 293.361 2.640 20 30 CFEDMN C=C(Br)CN1CC[C@@H](C2CCOCC2)C1 ZINC000374362589 393495203 /nfs/dbraw/zinc/49/52/03/393495203.db2.gz RHAFBAQTMCYFGW-GFCCVEGCSA-N 0 1 274.202 2.644 20 30 CFEDMN CC(C)[C@]1(C)C[C@@H]1C(=O)N[C@H]1CCc2nc[nH]c2C1 ZINC000329616072 393543781 /nfs/dbraw/zinc/54/37/81/393543781.db2.gz PSUTZHDNJMQYTL-RWSFTLGLSA-N 0 1 261.369 2.906 20 30 CFEDMN CCC1(C(=O)Nc2nc(C3CCC3)n[nH]2)CCOCC1 ZINC000329448074 393534677 /nfs/dbraw/zinc/53/46/77/393534677.db2.gz CZAOAILYKWQPFG-UHFFFAOYSA-N 0 1 278.356 2.867 20 30 CFEDMN CCC1(C(=O)Nc2n[nH]c(C3CCC3)n2)CCOCC1 ZINC000329448074 393534682 /nfs/dbraw/zinc/53/46/82/393534682.db2.gz CZAOAILYKWQPFG-UHFFFAOYSA-N 0 1 278.356 2.867 20 30 CFEDMN CO[C@H]1CN(CC#Cc2ccc(F)cc2)CC[C@@H]1C ZINC000189250553 393571377 /nfs/dbraw/zinc/57/13/77/393571377.db2.gz HEAWCIUNNQUWIG-BBRMVZONSA-N 0 1 261.340 2.534 20 30 CFEDMN CO[C@H]1CN(CC#Cc2ccc(F)cc2)CC[C@H]1C ZINC000189250530 393571999 /nfs/dbraw/zinc/57/19/99/393571999.db2.gz HEAWCIUNNQUWIG-CJNGLKHVSA-N 0 1 261.340 2.534 20 30 CFEDMN N#C[C@@H]1CC[C@H](N2CCCN(C(=O)c3ccccc3)CC2)C1 ZINC000334239537 393584318 /nfs/dbraw/zinc/58/43/18/393584318.db2.gz URUFNYJKRCSCAS-WBVHZDCISA-N 0 1 297.402 2.527 20 30 CFEDMN N#C[C@H]1CC[C@@H](N2CCCN(C(=O)c3ccccc3)CC2)C1 ZINC000334239534 393584490 /nfs/dbraw/zinc/58/44/90/393584490.db2.gz URUFNYJKRCSCAS-DOTOQJQBSA-N 0 1 297.402 2.527 20 30 CFEDMN CCCN(Cc1ccc(C#N)cc1)[C@@H]1CCN(C2CC2)C1=O ZINC000411162090 393677673 /nfs/dbraw/zinc/67/76/73/393677673.db2.gz CLOBPKPOKGUEMR-QGZVFWFLSA-N 0 1 297.402 2.534 20 30 CFEDMN C=C(C)C(C)(C)C(=O)N1C[C@H]2CCCCN2C[C@H]1C ZINC000335093152 393640741 /nfs/dbraw/zinc/64/07/41/393640741.db2.gz HTSWPKDDQKYOQI-ZIAGYGMSSA-N 0 1 264.413 2.674 20 30 CFEDMN N#CCN1CCC[C@H]1c1nc2ccc(Cl)cc2[nH]1 ZINC000335712180 393692491 /nfs/dbraw/zinc/69/24/91/393692491.db2.gz PKDUTBSBNVJEJM-LBPRGKRZSA-N 0 1 260.728 2.877 20 30 CFEDMN C[C@H](CCC#N)N1CC[C@]2(C1)CC(=O)c1ccccc1O2 ZINC000411976620 393758778 /nfs/dbraw/zinc/75/87/78/393758778.db2.gz DPMXUONZPBDUQV-CXAGYDPISA-N 0 1 284.359 2.789 20 30 CFEDMN C=CC[C@H](Cc1ccccc1)NC(=O)c1[nH]nc(C)c1C ZINC000412840499 393774902 /nfs/dbraw/zinc/77/49/02/393774902.db2.gz NJKAFCUFMCPHJC-OAHLLOKOSA-N 0 1 283.375 2.944 20 30 CFEDMN Cc1cnn(CCCCCN(C[C@@H](C)C#N)C2CC2)c1 ZINC000338383346 393785302 /nfs/dbraw/zinc/78/53/02/393785302.db2.gz QRRNNJCEDAXIMN-AWEZNQCLSA-N 0 1 274.412 2.986 20 30 CFEDMN C=CC[C@@H](Cc1ccccc1)NC(=O)C(C)(C)c1cnc[nH]1 ZINC000413984808 393793243 /nfs/dbraw/zinc/79/32/43/393793243.db2.gz IVRYGSFRHLVVMW-HNNXBMFYSA-N 0 1 297.402 2.991 20 30 CFEDMN C=CCN(CCOCCC#N)Cc1cccc([N+](=O)[O-])c1 ZINC000338935307 393805450 /nfs/dbraw/zinc/80/54/50/393805450.db2.gz XVZGMHGAPCLLHA-UHFFFAOYSA-N 0 1 289.335 2.513 20 30 CFEDMN N#C[C@@H](NC(=O)c1cccc2n[nH]cc21)c1ccccc1F ZINC000342852795 393871896 /nfs/dbraw/zinc/87/18/96/393871896.db2.gz RXSKMHTXQZUUSW-OAHLLOKOSA-N 0 1 294.289 2.697 20 30 CFEDMN CC(C)[C@@H](CO)N(Cc1ccccc1)CC1(C#N)CC1 ZINC000343316543 393883559 /nfs/dbraw/zinc/88/35/59/393883559.db2.gz SSLDUVAQFWFFSW-MRXNPFEDSA-N 0 1 272.392 2.809 20 30 CFEDMN CC(C)[C@H](CO)N(Cc1ccccc1)CC1(C#N)CC1 ZINC000343316539 393883691 /nfs/dbraw/zinc/88/36/91/393883691.db2.gz SSLDUVAQFWFFSW-INIZCTEOSA-N 0 1 272.392 2.809 20 30 CFEDMN N#CC1(CN2CC[C@@H](COCc3ccccc3)C2)CC1 ZINC000343315433 393883819 /nfs/dbraw/zinc/88/38/19/393883819.db2.gz QETLZXBMCQAAGH-MRXNPFEDSA-N 0 1 270.376 2.829 20 30 CFEDMN Cc1cc(C[N@@H+]2CCC[C@@H](C)[C@@H]2C(=O)[O-])ccc1C#N ZINC000424424746 393845926 /nfs/dbraw/zinc/84/59/26/393845926.db2.gz XBHKNIXOPIAGCK-IAQYHMDHSA-N 0 1 272.348 2.552 20 30 CFEDMN Cc1cc(C[N@@H+]2CCC[C@H](C)[C@H]2C(=O)[O-])ccc1C#N ZINC000424424747 393846091 /nfs/dbraw/zinc/84/60/91/393846091.db2.gz XBHKNIXOPIAGCK-NHYWBVRUSA-N 0 1 272.348 2.552 20 30 CFEDMN C=CCOCCNc1ccnc2cc(F)c(OC)cc21 ZINC000684579099 542830972 /nfs/dbraw/zinc/83/09/72/542830972.db2.gz AZBDBDBZAGVMRT-UHFFFAOYSA-N 0 1 276.311 2.997 20 30 CFEDMN Cc1cccc2nc([C@@H](C#N)C(=O)c3cncc(F)c3)[nH]c21 ZINC000346231062 393923878 /nfs/dbraw/zinc/92/38/78/393923878.db2.gz WYWOXWAUKJUISX-LBPRGKRZSA-N 0 1 294.289 2.896 20 30 CFEDMN CC[C@@H](C#N)S(=O)(=O)Nc1ccc(C(=O)C(C)C)cc1 ZINC000416960944 393947166 /nfs/dbraw/zinc/94/71/66/393947166.db2.gz OWHQCCPGOHNIBG-ZDUSSCGKSA-N 0 1 294.376 2.569 20 30 CFEDMN CCN(Cc1cn(-c2ccncc2)nc1C)C[C@H](C)C#N ZINC000346171831 393922671 /nfs/dbraw/zinc/92/26/71/393922671.db2.gz BLAAKNYRFDJIDV-CYBMUJFWSA-N 0 1 283.379 2.557 20 30 CFEDMN C=CCC[C@H](O)CN1CCc2cc(OC)c(F)cc2C1 ZINC000348792692 393958440 /nfs/dbraw/zinc/95/84/40/393958440.db2.gz CMDUGYMUVVLYHE-AWEZNQCLSA-N 0 1 279.355 2.520 20 30 CFEDMN N#Cc1ccc(CN2CCCC[C@@H]2c2nnc[nH]2)c(F)c1 ZINC000121667736 393958697 /nfs/dbraw/zinc/95/86/97/393958697.db2.gz GWNZXMOSMWYZPO-CQSZACIVSA-N 0 1 285.326 2.543 20 30 CFEDMN N#C[C@@H](NC(=O)c1n[nH]c2ccccc21)c1ccc(F)cc1 ZINC000348845262 393959804 /nfs/dbraw/zinc/95/98/04/393959804.db2.gz YBYOENWUOJDABW-CQSZACIVSA-N 0 1 294.289 2.697 20 30 CFEDMN C[C@@H]1CC[N@H+]([C@@H]2CCN(c3ccc(C#N)cc3)C2=O)C[C@@H]1C ZINC000122507516 393969795 /nfs/dbraw/zinc/96/97/95/393969795.db2.gz VYMUALCTMGBZLO-JKIFEVAISA-N 0 1 297.402 2.641 20 30 CFEDMN CC[C@@](C)(C#N)C(=O)N1CCN(CC2CCCCC2)CC1 ZINC000351642444 394005590 /nfs/dbraw/zinc/00/55/90/394005590.db2.gz VBESYWMEUVASKP-KRWDZBQOSA-N 0 1 291.439 2.651 20 30 CFEDMN CC[C@@H]1CCN(CC(=O)Nc2ccc(C#N)c(Cl)c2)C1 ZINC000125714619 394011974 /nfs/dbraw/zinc/01/19/74/394011974.db2.gz COQBHKJHSIMKMA-LLVKDONJSA-N 0 1 291.782 2.882 20 30 CFEDMN C#C[C@H](NC(=O)C(C)(F)F)c1ccc(Cl)cc1F ZINC000491178801 394046425 /nfs/dbraw/zinc/04/64/25/394046425.db2.gz BONFXFDHRXUOKH-JTQLQIEISA-N 0 1 275.657 2.925 20 30 CFEDMN CC1(C)CN(CC#Cc2cccc(Cl)c2)CC[C@@H]1O ZINC000275454593 394046709 /nfs/dbraw/zinc/04/67/09/394046709.db2.gz MERSJXJIAJTTCM-HNNXBMFYSA-N 0 1 277.795 2.784 20 30 CFEDMN C#CCN1CCC(C(=O)N(C)c2cccc(CC)c2)CC1 ZINC000491555164 394053347 /nfs/dbraw/zinc/05/33/47/394053347.db2.gz PEYCNFFKXWOISH-UHFFFAOYSA-N 0 1 284.403 2.557 20 30 CFEDMN CCN1C[C@@H](C)N(C(=O)/C=C\c2ccc(C#N)cc2)[C@@H](C)C1 ZINC000493195394 394176345 /nfs/dbraw/zinc/17/63/45/394176345.db2.gz VBGUTYPQWSNYKX-MHSLGGLXSA-N 0 1 297.402 2.513 20 30 CFEDMN C=CCN1CC[C@@H]([N@@H+]2CCC[C@@H]2c2cccc(C)c2)C1=O ZINC000281990109 394106370 /nfs/dbraw/zinc/10/63/70/394106370.db2.gz MTXUHUOXBWGHNV-IAGOWNOFSA-N 0 1 284.403 2.919 20 30 CFEDMN CN(CCCn1ccnc1)Cc1ccc(C#N)cc1Cl ZINC000439441118 394115403 /nfs/dbraw/zinc/11/54/03/394115403.db2.gz PBAJEMQNVIASNW-UHFFFAOYSA-N 0 1 288.782 2.930 20 30 CFEDMN COC(=O)[C@]1(C)CCN(Cc2ccc(C#N)cc2Cl)C1 ZINC000439454177 394115643 /nfs/dbraw/zinc/11/56/43/394115643.db2.gz RHTDVWGPKHATMU-OAHLLOKOSA-N 0 1 292.766 2.597 20 30 CFEDMN C=CCN1CC[C@@H]([N@@H+](CC)[C@@H](C)c2ccc(C#N)cc2)C1=O ZINC000282054895 394117192 /nfs/dbraw/zinc/11/71/92/394117192.db2.gz RSMNDGQXFGIHBP-WMLDXEAASA-N 0 1 297.402 2.728 20 30 CFEDMN C=CCN1CC[C@@H](N(CC)[C@@H](C)c2ccc(C#N)cc2)C1=O ZINC000282054895 394117194 /nfs/dbraw/zinc/11/71/94/394117194.db2.gz RSMNDGQXFGIHBP-WMLDXEAASA-N 0 1 297.402 2.728 20 30 CFEDMN C=CCN1CC[C@H](N(C)[C@@H](CC)c2ccc(F)cc2)C1=O ZINC000282084467 394121050 /nfs/dbraw/zinc/12/10/50/394121050.db2.gz UVXKIHWJEPJZHT-HOTGVXAUSA-N 0 1 290.382 2.996 20 30 CFEDMN CC(C)[N@H+]1CCC[C@H](NC(=O)/C=C\c2cccc(C#N)c2)C1 ZINC000493025435 394128625 /nfs/dbraw/zinc/12/86/25/394128625.db2.gz OXROXPTZFVRXND-JJEJIETFSA-N 0 1 297.402 2.560 20 30 CFEDMN CCCN(C)CC(=O)Nc1cccc(OCCCC#N)c1 ZINC000359332072 394129882 /nfs/dbraw/zinc/12/98/82/394129882.db2.gz NPLAIFDKCVLIIV-UHFFFAOYSA-N 0 1 289.379 2.649 20 30 CFEDMN N#CCCCC(=O)Nc1nc(-c2cc3ccccc3o2)n[nH]1 ZINC000360442434 394152096 /nfs/dbraw/zinc/15/20/96/394152096.db2.gz CQMURWLKXDBVCW-UHFFFAOYSA-N 0 1 295.302 2.850 20 30 CFEDMN C=CCOc1ccccc1CN1CCC(F)(F)[C@H](CO)C1 ZINC000361077241 394164847 /nfs/dbraw/zinc/16/48/47/394164847.db2.gz GRHUQRHUWUHYGV-AWEZNQCLSA-N 0 1 297.345 2.701 20 30 CFEDMN CC#CCN1CCC[C@@H]1c1cc(OC)c(OC)c(OC)c1 ZINC000361123032 394166667 /nfs/dbraw/zinc/16/66/67/394166667.db2.gz LQBOPWGWHYOEOP-CQSZACIVSA-N 0 1 289.375 2.873 20 30 CFEDMN C=C[C@H](CO)N[C@@H](C)c1cc(Br)ccc1F ZINC000289945660 394225069 /nfs/dbraw/zinc/22/50/69/394225069.db2.gz WEOIZDBTKLBCDW-WCBMZHEXSA-N 0 1 288.160 2.786 20 30 CFEDMN CC[C@@H](C)N1CCN(C(=O)/C=C\c2cccc(C#N)c2)CC1 ZINC000493410564 394235673 /nfs/dbraw/zinc/23/56/73/394235673.db2.gz ABOVDVMAFZOXJM-ZPIQOJFGSA-N 0 1 297.402 2.514 20 30 CFEDMN CC(C)n1nccc1CNCc1ccc(C#N)s1 ZINC000421348731 394194068 /nfs/dbraw/zinc/19/40/68/394194068.db2.gz HARLINNKPIUCSA-UHFFFAOYSA-N 0 1 260.366 2.687 20 30 CFEDMN Fc1ccc(C#CCN2CCC[C@H](c3cc[nH]n3)C2)cc1 ZINC000156257327 394331177 /nfs/dbraw/zinc/33/11/77/394331177.db2.gz BKSYDHBUPAFTOI-HNNXBMFYSA-N 0 1 283.350 2.780 20 30 CFEDMN C=C[C@@H]1OCCC[C@H]1[NH2+]Cc1cccc([O-])c1Cl ZINC000449549394 394281118 /nfs/dbraw/zinc/28/11/18/394281118.db2.gz XPCLDSAGXPTWPG-YPMHNXCESA-N 0 1 267.756 2.869 20 30 CFEDMN CC(C)[C@@]1(CO)CCCN(CC#Cc2ccc(F)cc2)C1 ZINC000293193645 394281805 /nfs/dbraw/zinc/28/18/05/394281805.db2.gz WPRNLSKBPRURLX-SFHVURJKSA-N 0 1 289.394 2.908 20 30 CFEDMN Cc1cccc2nc(CNC(=O)c3ccc(C#N)cc3)[nH]c21 ZINC000154929824 394305998 /nfs/dbraw/zinc/30/59/98/394305998.db2.gz GXODFOYQGQXWEH-UHFFFAOYSA-N 0 1 290.326 2.673 20 30 CFEDMN CCCCCCCN(C)CC(=O)Nc1cc(C)on1 ZINC000172648470 394373901 /nfs/dbraw/zinc/37/39/01/394373901.db2.gz CXBFZPGBYSRYFQ-UHFFFAOYSA-N 0 1 267.373 2.824 20 30 CFEDMN C=C(C)CN(Cc1ccccc1)C(=O)CCc1cnc[nH]1 ZINC000280866114 542932360 /nfs/dbraw/zinc/93/23/60/542932360.db2.gz WJBXCXKMBSJSIR-UHFFFAOYSA-N 0 1 283.375 2.947 20 30 CFEDMN C=CCOc1cccc(C[N@@H+]2CC[C@@H](C)[C@H](C(=O)[O-])C2)c1 ZINC000647460671 395342672 /nfs/dbraw/zinc/34/26/72/395342672.db2.gz HJRAQMPAOKTPDS-CZUORRHYSA-N 0 1 289.375 2.794 20 30 CFEDMN C=C(C)[C@@H](CO)Sc1nc(-c2ccc(C)cc2)n[nH]1 ZINC000649415417 395489825 /nfs/dbraw/zinc/48/98/25/395489825.db2.gz FJRAFACQHQVGPC-GFCCVEGCSA-N 0 1 275.377 2.809 20 30 CFEDMN C=CCC[C@@H](O)CN1CCN(c2ccccc2F)C[C@@H]1C ZINC000191633428 543079493 /nfs/dbraw/zinc/07/94/93/543079493.db2.gz USBKAHSQDHWKOW-LSDHHAIUSA-N 0 1 292.398 2.663 20 30 CFEDMN C#C[C@@H](C)N(C)Cc1ccc(OC(=O)CC)c(OCC)c1 ZINC000491783854 397581834 /nfs/dbraw/zinc/58/18/34/397581834.db2.gz OFUMDYNEZTZDPQ-CYBMUJFWSA-N 0 1 289.375 2.854 20 30 CFEDMN C=CCOc1cccc(C[N@@H+](CC(=O)[O-])CC2CC2)c1 ZINC000650796624 413168573 /nfs/dbraw/zinc/16/85/73/413168573.db2.gz YRXFANGWTWWKDC-UHFFFAOYSA-N 0 1 275.348 2.548 20 30 CFEDMN N#Cc1ccc(CN2CCC[C@@H](CO)C2)c(C(F)(F)F)c1 ZINC000356053766 155151556 /nfs/dbraw/zinc/15/15/56/155151556.db2.gz AZQZSSAZXHJNLE-GFCCVEGCSA-N 0 1 298.308 2.781 20 30 CFEDMN N#Cc1c[nH]c2ccnc(-c3cccc(CO)c3F)c12 ZINC001243138295 782008583 /nfs/dbraw/zinc/00/85/83/782008583.db2.gz FMVONBBYFWFNNG-UHFFFAOYSA-N 0 1 267.263 2.733 20 30 CFEDMN Cc1ccc(C#N)c(NCCc2ccc3cn[nH]c3c2)n1 ZINC000343058181 154100211 /nfs/dbraw/zinc/10/02/11/154100211.db2.gz FMDUSAGOTWTGPQ-UHFFFAOYSA-N 0 1 277.331 2.793 20 30 CFEDMN Cc1nsc(N(C)Cc2cc(C(C)(C)C)[nH]n2)c1C#N ZINC000343089386 154110921 /nfs/dbraw/zinc/11/09/21/154110921.db2.gz CRZYSXARBNNTMH-UHFFFAOYSA-N 0 1 289.408 2.980 20 30 CFEDMN C[C@H](CNCc1cc(C#N)cs1)[N@@H+]1CCCC[C@H]1C ZINC000343275328 154164144 /nfs/dbraw/zinc/16/41/44/154164144.db2.gz HMXNZUUVUZMXON-CHWSQXEVSA-N 0 1 277.437 2.972 20 30 CFEDMN C[C@H](NCC1=CCCOC1)c1ccc(C#N)cc1F ZINC000348209179 154363092 /nfs/dbraw/zinc/36/30/92/154363092.db2.gz WRXQXLOSVSLROL-NSHDSACASA-N 0 1 260.312 2.695 20 30 CFEDMN C[C@H]1CCCC[C@@H]1C(=O)N=c1[nH]n(C(C)(C)C)cc1C#N ZINC000335110903 299771411 /nfs/dbraw/zinc/77/14/11/299771411.db2.gz PSKHLGOTCXUUJR-AAEUAGOBSA-N 0 1 288.395 2.696 20 30 CFEDMN C[C@H](CNCc1ccc(C#N)cc1F)C(F)(F)F ZINC000359139996 156001189 /nfs/dbraw/zinc/00/11/89/156001189.db2.gz KABPUBLFUUVQIC-MRVPVSSYSA-N 0 1 260.234 2.985 20 30 CFEDMN CC[C@H]1CO[C@@H](C)CN1Cc1ccc(C#N)c(C)c1 ZINC000362960539 156128806 /nfs/dbraw/zinc/12/88/06/156128806.db2.gz OVYJVYCAAYMLMX-BBRMVZONSA-N 0 1 258.365 2.866 20 30 CFEDMN C=CCCn1cc(CN(C)[C@H](C)C(C)(C)C)nn1 ZINC000653491575 413332250 /nfs/dbraw/zinc/33/22/50/413332250.db2.gz BYIAFNFPMSGMFP-GFCCVEGCSA-N 0 1 250.390 2.721 20 30 CFEDMN C=CCCn1cc(CN([C@@H](C)C(C)C)C2CC2)nn1 ZINC000653496633 413333651 /nfs/dbraw/zinc/33/36/51/413333651.db2.gz ZWVRZBWQJCAJTP-ZDUSSCGKSA-N 0 1 262.401 2.863 20 30 CFEDMN N#Cc1ccc(CN2CCC[C@@](CO)(c3ccccc3)C2)o1 ZINC000375007916 157183618 /nfs/dbraw/zinc/18/36/18/157183618.db2.gz IAGSQIOZKDRFBN-GOSISDBHSA-N 0 1 296.370 2.677 20 30 CFEDMN C=C(C)CN(Cc1ccc(CO)o1)C[C@H](OC)C1CCC1 ZINC000660536224 413374152 /nfs/dbraw/zinc/37/41/52/413374152.db2.gz FPBRJMAGBMKFPR-KRWDZBQOSA-N 0 1 293.407 2.965 20 30 CFEDMN C=CCCNC(=O)NC[C@H](c1ccc(C)o1)N1CCCC1 ZINC000660531178 413375363 /nfs/dbraw/zinc/37/53/63/413375363.db2.gz PSLFCAMQZCSEPS-CQSZACIVSA-N 0 1 291.395 2.600 20 30 CFEDMN C=CCCn1cc(CN2CC[C@@]3(CC[C@H](C)C3)C2)nn1 ZINC000653612430 413405960 /nfs/dbraw/zinc/40/59/60/413405960.db2.gz PGHGCIZATIFMPC-GOEBONIOSA-N 0 1 274.412 2.866 20 30 CFEDMN C=CCCn1cc(CN(C)[C@@H]2CCCC[C@@H]2C)nn1 ZINC000653632342 413415817 /nfs/dbraw/zinc/41/58/17/413415817.db2.gz QDOLVHRXDIVFBC-DZGCQCFKSA-N 0 1 262.401 2.865 20 30 CFEDMN C=CCCn1cc(CNCC2(c3ccccc3)CC2)nn1 ZINC000657301546 413417500 /nfs/dbraw/zinc/41/75/00/413417500.db2.gz HXYXHBSSQLDONO-UHFFFAOYSA-N 0 1 282.391 2.676 20 30 CFEDMN C=CCCn1cc(CNCCc2ccc(Cl)s2)nn1 ZINC000657312684 413433786 /nfs/dbraw/zinc/43/37/86/413433786.db2.gz DRZUTEKAUJANHB-UHFFFAOYSA-N 0 1 296.827 2.901 20 30 CFEDMN N#Cc1csc(CN[C@@H](CCO)c2ccccc2)c1 ZINC000344457062 162049578 /nfs/dbraw/zinc/04/95/78/162049578.db2.gz IMGOQNGDPZRYBK-HNNXBMFYSA-N 0 1 272.373 2.833 20 30 CFEDMN CN(C(=O)CNCc1cc(C#N)cs1)C1CCCCC1 ZINC000344628816 162085660 /nfs/dbraw/zinc/08/56/60/162085660.db2.gz JAQIAMBPFQCNRI-UHFFFAOYSA-N 0 1 291.420 2.500 20 30 CFEDMN CCN1C[C@H](C)N(c2ccc(C#N)cc2F)C[C@@H]1C ZINC000345174067 162193998 /nfs/dbraw/zinc/19/39/98/162193998.db2.gz MYDVILUMTDIHNX-RYUDHWBXSA-N 0 1 261.344 2.616 20 30 CFEDMN C[C@H](N[C@@H](CO)CC(F)(F)F)c1ccc(C#N)c(F)c1 ZINC000346216459 162353606 /nfs/dbraw/zinc/35/36/06/162353606.db2.gz SYUHHBFXXPJLTP-GZMMTYOYSA-N 0 1 290.260 2.661 20 30 CFEDMN C=CCCn1cc(CN(CC)[C@@H]2CCOC(C)(C)C2)nn1 ZINC000653679314 413445714 /nfs/dbraw/zinc/44/57/14/413445714.db2.gz XMMGCKRRFLABNR-OAHLLOKOSA-N 0 1 292.427 2.634 20 30 CFEDMN N#Cc1ccc(CN2CCC(Oc3ccccn3)CC2)cc1 ZINC000350616265 163093529 /nfs/dbraw/zinc/09/35/29/163093529.db2.gz PQNHJGBKAKIBNV-UHFFFAOYSA-N 0 1 293.370 2.997 20 30 CFEDMN CC(C)[C@@H]1CN(CCCOc2cccc(C#N)c2)CCO1 ZINC000351246432 163121520 /nfs/dbraw/zinc/12/15/20/163121520.db2.gz CWQYTTFWHDHBEW-KRWDZBQOSA-N 0 1 288.391 2.684 20 30 CFEDMN C[C@H]1CC[C@H](N(CCO)Cc2ccc(F)cc2C#N)C1 ZINC000351633699 163161340 /nfs/dbraw/zinc/16/13/40/163161340.db2.gz ZXXTZXXCDMXKDU-LRDDRELGSA-N 0 1 276.355 2.680 20 30 CFEDMN C[C@@H](CCc1ccco1)NCc1nc(C#N)cs1 ZINC000352836834 163247651 /nfs/dbraw/zinc/24/76/51/163247651.db2.gz XQQMDJZAZPNFDD-JTQLQIEISA-N 0 1 261.350 2.719 20 30 CFEDMN N#Cc1csc(CNC2(Cc3ccccc3)CC2)n1 ZINC000352890117 163261671 /nfs/dbraw/zinc/26/16/71/163261671.db2.gz JDOSGQITCVMVHN-UHFFFAOYSA-N 0 1 269.373 2.880 20 30 CFEDMN N#Cc1ccc(CN2CC[C@H](COC(F)F)C2)c(F)c1 ZINC000353030060 163290227 /nfs/dbraw/zinc/29/02/27/163290227.db2.gz RPDJXUQXGVKGTI-NSHDSACASA-N 0 1 284.281 2.758 20 30 CFEDMN N#Cc1ccccc1CN1CCC[C@H]1[C@@H]1CCCO1 ZINC000284968518 196166853 /nfs/dbraw/zinc/16/68/53/196166853.db2.gz XNCSJSKBVNLUPH-HOTGVXAUSA-N 0 1 256.349 2.702 20 30 CFEDMN C=CCCn1cc(CN2C[C@H]3[C@@H]4CC[C@@H](C4)[C@@]3(C)C2)nn1 ZINC000653755152 413481784 /nfs/dbraw/zinc/48/17/84/413481784.db2.gz MGHDRYCEOUFXRO-YQFWSFKMSA-N 0 1 286.423 2.722 20 30 CFEDMN COCC#CCN(C)[C@H](C)c1nc2ccc(Cl)cc2[nH]1 ZINC000660710474 413508719 /nfs/dbraw/zinc/50/87/19/413508719.db2.gz OLVDPFPQMAFQKO-LLVKDONJSA-N 0 1 291.782 2.859 20 30 CFEDMN C=CC[C@@H]1CCCN(C(=O)N[C@@H]2CCCc3cn[nH]c32)C1 ZINC000664471522 413792899 /nfs/dbraw/zinc/79/28/99/413792899.db2.gz UAZLYGKEWURQQQ-TZMCWYRMSA-N 0 1 288.395 2.785 20 30 CFEDMN C=CCN(Cc1cncc(Br)c1)[C@@H](C)COC ZINC000661240949 413841299 /nfs/dbraw/zinc/84/12/99/413841299.db2.gz UJHTUZLECDBZFH-NSHDSACASA-N 0 1 299.212 2.867 20 30 CFEDMN C=C[C@H](C(=O)[O-])[N@@H+](CC)Cc1c[nH]c2ccccc12 ZINC000652444586 413953526 /nfs/dbraw/zinc/95/35/26/413953526.db2.gz DPQYJFRNKXGLTQ-CQSZACIVSA-N 0 1 258.321 2.629 20 30 CFEDMN C=CC[C@H]1CCCN(CC(=O)Nc2cccc(OC)c2)C1 ZINC000661378260 413936238 /nfs/dbraw/zinc/93/62/38/413936238.db2.gz BHSSJBARHJRVGP-AWEZNQCLSA-N 0 1 288.391 2.922 20 30 CFEDMN C=CCCCCNC(=O)N[C@H]1CCC[N@H+]2CCCC[C@H]12 ZINC000654533712 413895643 /nfs/dbraw/zinc/89/56/43/413895643.db2.gz MRPREPWXHNIMCL-LSDHHAIUSA-N 0 1 279.428 2.659 20 30 CFEDMN C=CCCC[C@H](C)[N@@H+]1C[C@@H](C(=O)[O-])[C@H](C2CC2)C1 ZINC000652513043 413997483 /nfs/dbraw/zinc/99/74/83/413997483.db2.gz UTQXROOPZDLERC-FPMFFAJLSA-N 0 1 251.370 2.774 20 30 CFEDMN C[C@@H]1CN(CC#Cc2cccc(Cl)c2)C[C@]1(C)CO ZINC000662141287 414427684 /nfs/dbraw/zinc/42/76/84/414427684.db2.gz FWIIKUHEDAVRJV-CZUORRHYSA-N 0 1 277.795 2.642 20 30 CFEDMN C=C[C@H](CO)N[C@@H](C)C(=O)Nc1ccccc1[C@H](C)CC ZINC000662167507 414441655 /nfs/dbraw/zinc/44/16/55/414441655.db2.gz GXVUCRKQOMTBFQ-HZSPNIEDSA-N 0 1 290.407 2.664 20 30 CFEDMN C=CCCCC[C@H](C)[NH2+]Cc1nnc([C@@H]2CCCO2)[n-]1 ZINC000655795767 414442217 /nfs/dbraw/zinc/44/22/17/414442217.db2.gz BEGPTEHUSGWVEQ-STQMWFEESA-N 0 1 278.400 2.881 20 30 CFEDMN C=CCN1CC[C@@H](N[C@@]2(c3ccccc3)CC2(C)C)C1=O ZINC000662341196 414512201 /nfs/dbraw/zinc/51/22/01/414512201.db2.gz QSZMMIQFONOJEV-CRAIPNDOSA-N 0 1 284.403 2.688 20 30 CFEDMN C=C(CC)C[N@H+]1C[C@H](C(=O)[O-])[C@@H](c2ccccc2)C1 ZINC000659797183 414556992 /nfs/dbraw/zinc/55/69/92/414556992.db2.gz QZIUPRMFMRLSPR-CABCVRRESA-N 0 1 259.349 2.753 20 30 CFEDMN C=CCN(CCc1cn[nH]n1)Cc1ccc(Cl)s1 ZINC000659817452 414567588 /nfs/dbraw/zinc/56/75/88/414567588.db2.gz JHXSLXUJQJEKND-UHFFFAOYSA-N 0 1 282.800 2.750 20 30 CFEDMN C=CC[C@@H](Cc1ccccc1)n1cc(CNCC)nn1 ZINC000656457960 414581735 /nfs/dbraw/zinc/58/17/35/414581735.db2.gz USCNNQSJZDRWJI-INIZCTEOSA-N 0 1 270.380 2.748 20 30 CFEDMN O=C(/C=C/c1ccccc1[N+](=O)[O-])c1ccc(O)cc1O ZINC000038876412 174158025 /nfs/dbraw/zinc/15/80/25/174158025.db2.gz PZNSXDODRVGONW-VMPITWQZSA-N 0 1 285.255 2.902 20 30 CFEDMN C=CCC(C)(C)c1noc([C@H]2CCCc3nn[nH]c32)n1 ZINC000663162469 414657267 /nfs/dbraw/zinc/65/72/67/414657267.db2.gz WBKHGCHKJMDLDR-VIFPVBQESA-N 0 1 273.340 2.510 20 30 CFEDMN C=CCN1C(=O)N=NC1SC[C@H]1CCC(F)(F)C1 ZINC000339113811 262602255 /nfs/dbraw/zinc/60/22/55/262602255.db2.gz HRQAWBFNGPLEDF-QMMMGPOBSA-N 0 1 275.324 2.697 20 30 CFEDMN N#Cc1cccc(OCCCN2CCO[C@H]3CCC[C@@H]32)c1 ZINC000043425357 175040191 /nfs/dbraw/zinc/04/01/91/175040191.db2.gz BEOQZUZUYUBYJM-IRXDYDNUSA-N 0 1 286.375 2.580 20 30 CFEDMN N#Cc1ccccc1C[N@@H+]1CCC[C@H](CCC(=O)[O-])C1 ZINC000043585438 175070874 /nfs/dbraw/zinc/07/08/74/175070874.db2.gz MSMKXPMPEBXTKT-CYBMUJFWSA-N 0 1 272.348 2.635 20 30 CFEDMN C=C(Br)C[N@@H+]1CCc2ccccc2[C@H]1C(=O)[O-] ZINC000043594338 175075447 /nfs/dbraw/zinc/07/54/47/175075447.db2.gz CTRNNTDKOJLYDK-LBPRGKRZSA-N 0 1 296.164 2.579 20 30 CFEDMN C=C(Br)C[N@H+]1CCc2ccccc2[C@H]1C(=O)[O-] ZINC000043594338 175075449 /nfs/dbraw/zinc/07/54/49/175075449.db2.gz CTRNNTDKOJLYDK-LBPRGKRZSA-N 0 1 296.164 2.579 20 30 CFEDMN CCn1cc([C@@H](C)NCc2ccc(C#N)cc2)cn1 ZINC000044499018 175184476 /nfs/dbraw/zinc/18/44/76/175184476.db2.gz QUTFDAVNTLLWCQ-GFCCVEGCSA-N 0 1 254.337 2.625 20 30 CFEDMN C=C(C)CN(C)Cc1cc(F)cc2c1OCOC2 ZINC000171629163 335072909 /nfs/dbraw/zinc/07/29/09/335072909.db2.gz GCXGKMQANHKHDB-UHFFFAOYSA-N 0 1 251.301 2.700 20 30 CFEDMN C[C@@H](CN(CC1(C#N)CC1)[C@@H](C)CO)c1ccccc1 ZINC000347466998 226164113 /nfs/dbraw/zinc/16/41/13/226164113.db2.gz ZWKNCWDUGBJHDH-GJZGRUSLSA-N 0 1 272.392 2.777 20 30 CFEDMN N#CC(C(=O)c1nccc2ccccc21)c1ccncn1 ZINC000354470545 227006763 /nfs/dbraw/zinc/00/67/63/227006763.db2.gz SLIWHFILQAUZDV-CYBMUJFWSA-N 0 1 274.283 2.515 20 30 CFEDMN Cc1scc(C(=O)C(C#N)c2ccncn2)c1C ZINC000354473579 227008337 /nfs/dbraw/zinc/00/83/37/227008337.db2.gz PWTYULTYCQADOH-JTQLQIEISA-N 0 1 257.318 2.645 20 30 CFEDMN N#CC(C(=O)c1cncc2ccccc21)c1ccncn1 ZINC000354476600 227008371 /nfs/dbraw/zinc/00/83/71/227008371.db2.gz ZRFPGLYZHOSSNE-CYBMUJFWSA-N 0 1 274.283 2.515 20 30 CFEDMN C[C@@H]1CC(C)(C)C[C@](CO)(NCc2nc(C#N)cs2)C1 ZINC000352842641 227316345 /nfs/dbraw/zinc/31/63/45/227316345.db2.gz VBUPAKJHFMPTHP-IAQYHMDHSA-N 0 1 293.436 2.682 20 30 CFEDMN O=C(Nc1ccc2[nH]nnc2c1)[C@H]1CCC(F)(F)C1 ZINC000330053557 228027595 /nfs/dbraw/zinc/02/75/95/228027595.db2.gz QPSVTYZGKSRJNG-ZETCQYMHSA-N 0 1 266.251 2.981 20 30 CFEDMN Cn1nccc1-c1ccccc1CN1CCC(F)(C#N)CC1 ZINC000353463399 228106346 /nfs/dbraw/zinc/10/63/46/228106346.db2.gz RCMVCAGAYLKHAP-UHFFFAOYSA-N 0 1 298.365 2.915 20 30 CFEDMN CCn1cc(-c2[nH]ncc2C(=O)N[C@H]2C=CCCC2)cn1 ZINC000330227714 228073121 /nfs/dbraw/zinc/07/31/21/228073121.db2.gz CDSVRLPQQWLRTD-LBPRGKRZSA-N 0 1 285.351 2.706 20 30 CFEDMN C[C@@H]1CCC[C@H](N(C)C([O-])=[NH+][C@@H]2CCn3ccnc3C2)C1 ZINC000330256256 228082469 /nfs/dbraw/zinc/08/24/69/228082469.db2.gz BQITZYKUOKAAIK-MCIONIFRSA-N 0 1 290.411 2.622 20 30 CFEDMN O=C(Nc1cccc(-c2c[nH]nn2)c1)[C@@H]1CCCN1C1CC1 ZINC000330262377 228084698 /nfs/dbraw/zinc/08/46/98/228084698.db2.gz UXLMVANNGSHQHL-HNNXBMFYSA-N 0 1 297.362 2.687 20 30 CFEDMN Cc1nc([C@H]2CCCCN2Cc2ccc(CC#N)cc2)n[nH]1 ZINC000331855088 228133648 /nfs/dbraw/zinc/13/36/48/228133648.db2.gz AMGBCXIYMCRCJG-MRXNPFEDSA-N 0 1 295.390 2.906 20 30 CFEDMN Cc1cccc2nc([C@@H](C#N)C(=O)c3c[nH]c(C#N)c3)[nH]c21 ZINC000353637740 228136454 /nfs/dbraw/zinc/13/64/54/228136454.db2.gz MCDRZGXVECIARU-LBPRGKRZSA-N 0 1 289.298 2.561 20 30 CFEDMN Cc1ncc(C(=O)N2CCC[C@@H]2[C@H](C#N)c2ccccc2)[nH]1 ZINC000336131147 228193713 /nfs/dbraw/zinc/19/37/13/228193713.db2.gz GSEXHXUDBHEKEJ-GDBMZVCRSA-N 0 1 294.358 2.630 20 30 CFEDMN C=CC[C@@H](C)NC(=O)NC[C@H](c1cccc(F)c1)N(C)C ZINC000117025902 260020069 /nfs/dbraw/zinc/02/00/69/260020069.db2.gz UOSHPUIFUOTRJQ-IUODEOHRSA-N 0 1 293.386 2.692 20 30 CFEDMN C=CC[C@@H](C)NC(=O)NC[C@@H](c1cccc(F)c1)N(C)C ZINC000117025898 260020154 /nfs/dbraw/zinc/02/01/54/260020154.db2.gz UOSHPUIFUOTRJQ-DOMZBBRYSA-N 0 1 293.386 2.692 20 30 CFEDMN N#Cc1ccc(CNCCOCC2CCCC2)c(F)c1 ZINC000313275159 260275581 /nfs/dbraw/zinc/27/55/81/260275581.db2.gz WBISWOCTUMRJOG-UHFFFAOYSA-N 0 1 276.355 2.994 20 30 CFEDMN CC#CCN1CCC(C(=O)c2ccc(C)cc2)CC1 ZINC000157749813 260860070 /nfs/dbraw/zinc/86/00/70/260860070.db2.gz KSJHBQNJBFTUNC-UHFFFAOYSA-N 0 1 255.361 2.913 20 30 CFEDMN N#CCC[C@H](NC(=O)c1[nH]nc2c1CCC2)c1ccccc1 ZINC000153157498 261074341 /nfs/dbraw/zinc/07/43/41/261074341.db2.gz NRPWRMKZYNIYTG-AWEZNQCLSA-N 0 1 294.358 2.673 20 30 CFEDMN CCCN(Cc1ccc(C#N)cc1)C[C@@H](O)C(F)(F)F ZINC000185182284 262044945 /nfs/dbraw/zinc/04/49/45/262044945.db2.gz IETOCANHCUWHFD-CYBMUJFWSA-N 0 1 286.297 2.693 20 30 CFEDMN C=C(C)CNCc1cc(O)ccc1Br ZINC000119623798 262168423 /nfs/dbraw/zinc/16/84/23/262168423.db2.gz JPBDRCBIQGDYAB-UHFFFAOYSA-N 0 1 256.143 2.820 20 30 CFEDMN N#C[C@H]1CCC[C@H](NCC(=O)Nc2ccc(Cl)cc2)C1 ZINC000192757709 262210427 /nfs/dbraw/zinc/21/04/27/262210427.db2.gz DLVIMCJKIVIBNX-FZMZJTMJSA-N 0 1 291.782 2.950 20 30 CFEDMN C=CC1CCN(CC(=O)NCc2ccccc2C)CC1 ZINC000111258674 262258877 /nfs/dbraw/zinc/25/88/77/262258877.db2.gz NLZKFVCYAWGLSI-UHFFFAOYSA-N 0 1 272.392 2.509 20 30 CFEDMN C=CC1CCN(CC(=O)NCc2ccc(C)c(F)c2)CC1 ZINC000111259171 262259038 /nfs/dbraw/zinc/25/90/38/262259038.db2.gz OTEBIHMHGZEDLY-UHFFFAOYSA-N 0 1 290.382 2.648 20 30 CFEDMN CC#CCN1CCC(c2nc(-c3ccccc3)no2)CC1 ZINC000160587586 262285699 /nfs/dbraw/zinc/28/56/99/262285699.db2.gz SKBHZSMMRMYLGP-UHFFFAOYSA-N 0 1 281.359 2.939 20 30 CFEDMN Cc1c(F)cccc1NC(=O)c1ccc(C#N)c(O)c1 ZINC000188596177 262323406 /nfs/dbraw/zinc/32/34/06/262323406.db2.gz UNDRWEHJNJDKHD-UHFFFAOYSA-N 0 1 270.263 2.964 20 30 CFEDMN C=CC1CCN(C(=O)[C@H](C)N2CCc3ccccc3C2)CC1 ZINC000111632054 262353693 /nfs/dbraw/zinc/35/36/93/262353693.db2.gz FICZOXWKTIHLII-HNNXBMFYSA-N 0 1 298.430 2.858 20 30 CFEDMN C(#Cc1ccccc1)CN1CCCO[C@@H]2CCC[C@@H]21 ZINC000365252475 262355224 /nfs/dbraw/zinc/35/52/24/262355224.db2.gz BPJRSQOGNKDMPP-DLBZAZTESA-N 0 1 255.361 2.682 20 30 CFEDMN Cc1cn[nH]c1CN1CCC[C@@H]1[C@H](C#N)c1ccccc1 ZINC000365594078 262372445 /nfs/dbraw/zinc/37/24/45/262372445.db2.gz FJDADAWATIEAHI-NVXWUHKLSA-N 0 1 280.375 2.990 20 30 CFEDMN CC1(C#N)CCN(C(=O)c2cc(-c3ccccc3)[nH]n2)CC1 ZINC000272518739 263005729 /nfs/dbraw/zinc/00/57/29/263005729.db2.gz KQWCLUNGPWQKMY-UHFFFAOYSA-N 0 1 294.358 2.843 20 30 CFEDMN N#CCc1ccc(-c2nc(C3(N)CCCC3)no2)cc1 ZINC000414616814 263010547 /nfs/dbraw/zinc/01/05/47/263010547.db2.gz KGCAGXZKCHRQLJ-UHFFFAOYSA-N 0 1 268.320 2.531 20 30 CFEDMN COCC[C@@H](NCCC(C)(C)C#N)c1ccco1 ZINC000273302635 263015269 /nfs/dbraw/zinc/01/52/69/263015269.db2.gz ROFUQALWZSFOPG-GFCCVEGCSA-N 0 1 250.342 2.887 20 30 CFEDMN COC[C@@H](NCCC(C)(C)C#N)c1ccc(C)o1 ZINC000273489585 263017327 /nfs/dbraw/zinc/01/73/27/263017327.db2.gz KDUAIRWUNZRXTJ-GFCCVEGCSA-N 0 1 250.342 2.805 20 30 CFEDMN C=CCOc1ccccc1C[N@@H+]1CC[C@](C)(C(=O)[O-])C1 ZINC000414648294 263020966 /nfs/dbraw/zinc/02/09/66/263020966.db2.gz AVNUDKNLAQWPMW-INIZCTEOSA-N 0 1 275.348 2.548 20 30 CFEDMN C=C(CC)CN(CC)CC(=O)N1CCCCCC1 ZINC000353191406 263052661 /nfs/dbraw/zinc/05/26/61/263052661.db2.gz KBNSMFUKPWKUAT-UHFFFAOYSA-N 0 1 252.402 2.677 20 30 CFEDMN C=CCOc1ccc(C[N@H+](CC(=O)[O-])[C@H](C)CC)cc1 ZINC000414687207 263031917 /nfs/dbraw/zinc/03/19/17/263031917.db2.gz WNXOALNJHCHWJL-CYBMUJFWSA-N 0 1 277.364 2.937 20 30 CFEDMN C=CCCCN1CCc2c(nnn2-c2ccccc2)C1 ZINC000366598563 263068734 /nfs/dbraw/zinc/06/87/34/263068734.db2.gz RZJZRWVMGHMUOT-UHFFFAOYSA-N 0 1 268.364 2.592 20 30 CFEDMN CC(C)(C#N)CCN1CC[C@H](n2cc(Cl)cn2)C1 ZINC000289853254 263112393 /nfs/dbraw/zinc/11/23/93/263112393.db2.gz KTIKPWAIDBQPSZ-LBPRGKRZSA-N 0 1 266.776 2.723 20 30 CFEDMN Cc1csc(C(C#N)C(=O)c2ccnc3ccncc32)n1 ZINC000340363651 263119190 /nfs/dbraw/zinc/11/91/90/263119190.db2.gz KCDKRZRKFGYDQI-NSHDSACASA-N 0 1 294.339 2.885 20 30 CFEDMN Cc1csc([C@@H](C#N)C(=O)c2ccnc3ccncc32)n1 ZINC000340363651 263119191 /nfs/dbraw/zinc/11/91/91/263119191.db2.gz KCDKRZRKFGYDQI-NSHDSACASA-N 0 1 294.339 2.885 20 30 CFEDMN CCc1c(NC(=O)CCCC#N)[nH]nc1-c1ccncc1 ZINC000292240315 263129886 /nfs/dbraw/zinc/12/98/86/263129886.db2.gz GJKKBAGLKCKILB-UHFFFAOYSA-N 0 1 283.335 2.666 20 30 CFEDMN N#CC1CCN(C[C@@H](O)c2cc3ccccc3o2)CC1 ZINC000293048352 263137549 /nfs/dbraw/zinc/13/75/49/263137549.db2.gz KIYVPFUJQQHIEZ-CQSZACIVSA-N 0 1 270.332 2.702 20 30 CFEDMN Cc1ccc2nc([C@@H]3CCCN3CCOCCC#N)[nH]c2c1 ZINC000295687074 263181171 /nfs/dbraw/zinc/18/11/71/263181171.db2.gz CXJALQJRSBLNKZ-INIZCTEOSA-N 0 1 298.390 2.939 20 30 CFEDMN CC(C)[C@@](C)(C#N)NC(=O)CNc1ccc2cnccc2c1 ZINC000296890345 263197936 /nfs/dbraw/zinc/19/79/36/263197936.db2.gz OMVVYXNBSKHQPH-QGZVFWFLSA-N 0 1 296.374 2.701 20 30 CFEDMN CN(CCCC#N)C[C@@H](O)c1cccc(Br)c1 ZINC000298043148 263214101 /nfs/dbraw/zinc/21/41/01/263214101.db2.gz DKWMKEYUQWSHSD-CYBMUJFWSA-N 0 1 297.196 2.718 20 30 CFEDMN CN(CCCC#N)C[C@H](O)c1cccc(Br)c1 ZINC000298043150 263214232 /nfs/dbraw/zinc/21/42/32/263214232.db2.gz DKWMKEYUQWSHSD-ZDUSSCGKSA-N 0 1 297.196 2.718 20 30 CFEDMN C=CCOc1ccccc1CNC[C@@](C)(O)C(F)(F)F ZINC000340598684 263218679 /nfs/dbraw/zinc/21/86/79/263218679.db2.gz XBMKQTMEXVXVGB-CYBMUJFWSA-N 0 1 289.297 2.654 20 30 CFEDMN N#CC1(NC(=O)c2cccc3n[nH]cc32)CCCCC1 ZINC000299619862 263249683 /nfs/dbraw/zinc/24/96/83/263249683.db2.gz DNSOUUUJVZEYLX-UHFFFAOYSA-N 0 1 268.320 2.519 20 30 CFEDMN Cc1ccc2nc([C@@H]3CCCN(CCC#N)C3)[nH]c2c1 ZINC000299654739 263251019 /nfs/dbraw/zinc/25/10/19/263251019.db2.gz LGBSNLXAEAWFHA-CYBMUJFWSA-N 0 1 268.364 2.964 20 30 CFEDMN C=C(C)CN(CC)[C@@H](C)C(=O)Nc1ccccc1[N+](=O)[O-] ZINC000120112129 263281069 /nfs/dbraw/zinc/28/10/69/263281069.db2.gz RLBZTVZIDRRFMO-LBPRGKRZSA-N 0 1 291.351 2.820 20 30 CFEDMN C=CCCC[N@H+](C)CC(=O)Nc1ccccc1OCC ZINC000121070473 263290309 /nfs/dbraw/zinc/29/03/09/263290309.db2.gz GMFABCQUQPRQFM-UHFFFAOYSA-N 0 1 276.380 2.922 20 30 CFEDMN C=CCCCN(C)CC(=O)Nc1ccccc1OCC ZINC000121070473 263290310 /nfs/dbraw/zinc/29/03/10/263290310.db2.gz GMFABCQUQPRQFM-UHFFFAOYSA-N 0 1 276.380 2.922 20 30 CFEDMN C=CCCC[C@H](C)N1CCN(C(=O)C(C)C)CC1 ZINC000340762693 263304755 /nfs/dbraw/zinc/30/47/55/263304755.db2.gz YHZVSRLRRSWQBE-AWEZNQCLSA-N 0 1 252.402 2.531 20 30 CFEDMN C=CC[C@H](CO)CNc1ccnc2cc(F)ccc21 ZINC000340889243 263311924 /nfs/dbraw/zinc/31/19/24/263311924.db2.gz FGCCALHYBBLPAT-NSHDSACASA-N 0 1 260.312 2.970 20 30 CFEDMN COCC1(C#N)CCN([C@H](C)c2cccc(C#N)c2)CC1 ZINC000341981163 263369683 /nfs/dbraw/zinc/36/96/83/263369683.db2.gz FAGFJCIGLOQXBE-CQSZACIVSA-N 0 1 283.375 2.871 20 30 CFEDMN C=CCCN(C)C(=O)c1cc(-c2ccc(F)cc2)[nH]n1 ZINC000341979141 263370002 /nfs/dbraw/zinc/37/00/02/263370002.db2.gz DMAJOKIPACYZKZ-UHFFFAOYSA-N 0 1 273.311 2.864 20 30 CFEDMN N#CC1(c2nc(C3(N)CCCC3)no2)CCCCC1 ZINC000342028005 263380587 /nfs/dbraw/zinc/38/05/87/263380587.db2.gz QXIXDMHFBGKAMU-UHFFFAOYSA-N 0 1 260.341 2.523 20 30 CFEDMN C[C@H](NC(=O)c1coc(C2CCCCC2)n1)c1nnc[nH]1 ZINC000328700831 263846946 /nfs/dbraw/zinc/84/69/46/263846946.db2.gz WKCRLCFPJRTBQW-VIFPVBQESA-N 0 1 289.339 2.906 20 30 CFEDMN CCc1nc([C@H](C)NC(=O)N[C@@H]2CC[C@H](C)C[C@@H]2C)n[nH]1 ZINC000328956800 263898445 /nfs/dbraw/zinc/89/84/45/263898445.db2.gz ZJQKDBYCZWJMDK-FIQHERPVSA-N 0 1 293.415 2.756 20 30 CFEDMN CC(C)c1nc([C@H](C)NC(=O)[C@H]2CCSC2)n[nH]1 ZINC000328916748 263901376 /nfs/dbraw/zinc/90/13/76/263901376.db2.gz KIJQHHISCULFNR-IUCAKERBSA-N 0 1 268.386 2.699 20 30 CFEDMN C#Cc1ccc(NC(=O)N2CCN([C@@H](C)CC)CC2)cc1 ZINC000934928607 649856614 /nfs/dbraw/zinc/85/66/14/649856614.db2.gz SRUDUMYENPSYOD-AWEZNQCLSA-N 0 1 285.391 2.616 20 30 CFEDMN Cc1ccc(NC(=O)CN[C@@H]2CC[C@H](C#N)C2)c(Cl)c1 ZINC000425341626 264009388 /nfs/dbraw/zinc/00/93/88/264009388.db2.gz DTFPBDYGROZDJC-NWDGAFQWSA-N 0 1 291.782 2.869 20 30 CFEDMN Cc1[nH]ncc1CNC(=O)N[C@@H]1CCCC[C@@H]1C(C)C ZINC000330987643 264104118 /nfs/dbraw/zinc/10/41/18/264104118.db2.gz LROKYCPQHLJGLA-ZIAGYGMSSA-N 0 1 278.400 2.937 20 30 CFEDMN CC(C)C[C@@H]1OCCC[C@@H]1[NH+]=C([O-])NCCn1cccc1 ZINC000331062320 264111039 /nfs/dbraw/zinc/11/10/39/264111039.db2.gz UZGIKMMYAJINBO-GJZGRUSLSA-N 0 1 293.411 2.585 20 30 CFEDMN CCc1occc1C(=O)NC[C@@H]1CN(CC(C)C)CCO1 ZINC000331195388 264158635 /nfs/dbraw/zinc/15/86/35/264158635.db2.gz TWDLDUZATRUBLP-CYBMUJFWSA-N 0 1 294.395 2.503 20 30 CFEDMN CC(C)(C)n1cnc(NC(=O)c2c(O)cccc2F)n1 ZINC000331245255 264178911 /nfs/dbraw/zinc/17/89/11/264178911.db2.gz RJGBMNVQNKXIOO-UHFFFAOYSA-N 0 1 278.287 2.514 20 30 CFEDMN CC(C)c1occc1C(=O)N[C@@H](CO)CN1CCCCC1 ZINC000331321635 264189807 /nfs/dbraw/zinc/18/98/07/264189807.db2.gz FGYUBUNUIAMNAH-CYBMUJFWSA-N 0 1 294.395 2.554 20 30 CFEDMN CC(C)C1CCC(CNC(=O)N(C)Cc2nnc[nH]2)CC1 ZINC000331353607 264207646 /nfs/dbraw/zinc/20/76/46/264207646.db2.gz PCAUYHMGSYAEGH-UHFFFAOYSA-N 0 1 293.415 2.613 20 30 CFEDMN C=C(C)C(C)(C)C(=O)NCc1ccc2cncn2c1 ZINC000424889631 264339481 /nfs/dbraw/zinc/33/94/81/264339481.db2.gz HXORLLWQHCQMAZ-UHFFFAOYSA-N 0 1 257.337 2.553 20 30 CFEDMN C=CCNC(=O)[C@H](C)N(CC)Cc1c[nH]c2ccccc12 ZINC000190504739 264369375 /nfs/dbraw/zinc/36/93/75/264369375.db2.gz FWRNTDLDXHEOJB-ZDUSSCGKSA-N 0 1 285.391 2.681 20 30 CFEDMN Cc1c([C@H](C)NCc2cc(C#N)cs2)cnn1C ZINC000093492343 265183784 /nfs/dbraw/zinc/18/37/84/265183784.db2.gz LUERBCRBLKYTCQ-VIFPVBQESA-N 0 1 260.366 2.513 20 30 CFEDMN C=CCN1CCC(Nc2cc(C(C)=O)ccc2C#N)CC1 ZINC000273174468 265613171 /nfs/dbraw/zinc/61/31/71/265613171.db2.gz FVJNUIAZNACBIM-UHFFFAOYSA-N 0 1 283.375 2.823 20 30 CFEDMN C=CC[NH+]1CCC(N[C@@H](C)c2cc(C)ccn2)CC1 ZINC000353504135 266039224 /nfs/dbraw/zinc/03/92/24/266039224.db2.gz QDTFOAUNVWOMQT-AWEZNQCLSA-N 0 1 259.397 2.691 20 30 CFEDMN CC(C)(CCC#N)CNC(=O)c1cn[nH]c1-c1ccccn1 ZINC000356467728 266119628 /nfs/dbraw/zinc/11/96/28/266119628.db2.gz CCQXBBZKRSWKGR-UHFFFAOYSA-N 0 1 297.362 2.531 20 30 CFEDMN CN1CCN(C(=O)C[C@H](CC#N)c2ccccc2)C(C)(C)C1 ZINC000356599558 266146501 /nfs/dbraw/zinc/14/65/01/266146501.db2.gz VYVLVPDJLYUYPP-INIZCTEOSA-N 0 1 299.418 2.627 20 30 CFEDMN N#C[C@H](c1ccccc1)[C@H]1CCCN1CCn1ccnc1 ZINC000362727377 267039598 /nfs/dbraw/zinc/03/95/98/267039598.db2.gz RRUQNGDNKZXOPB-IAGOWNOFSA-N 0 1 280.375 2.655 20 30 CFEDMN C=CCOc1ccc(CN2CCOCC[C@@H]2C)cc1OC ZINC000367712069 267112316 /nfs/dbraw/zinc/11/23/16/267112316.db2.gz ZBCQAEZZQBVWCY-AWEZNQCLSA-N 0 1 291.391 2.871 20 30 CFEDMN C=C(Cl)CN[C@@H](C)[C@H]1CN(Cc2ccccc2)CCO1 ZINC000368466149 267175329 /nfs/dbraw/zinc/17/53/29/267175329.db2.gz KPGNCWZFHMWLMI-GOEBONIOSA-N 0 1 294.826 2.618 20 30 CFEDMN CC(C)(O)[C@@H]1CCCN1CC#Cc1ccccc1Cl ZINC000119171213 267305468 /nfs/dbraw/zinc/30/54/68/267305468.db2.gz VIKQSMBLLGVXIC-HNNXBMFYSA-N 0 1 277.795 2.927 20 30 CFEDMN CC1(C#N)CCN(Cc2c[nH]nc2-c2cccnc2)CC1 ZINC000370361070 267311984 /nfs/dbraw/zinc/31/19/84/267311984.db2.gz YWMRZTUXOYJNNH-UHFFFAOYSA-N 0 1 281.363 2.597 20 30 CFEDMN C=C(C)CN(CC)[C@H](C)C(=O)N[C@@H]1CCCC[C@@H]1C ZINC000120112626 267382181 /nfs/dbraw/zinc/38/21/81/267382181.db2.gz PJWVWQCZZQXZLM-RRFJBIMHSA-N 0 1 266.429 2.968 20 30 CFEDMN CC(C)[C@@](C)(C#N)NC(=O)CN1CC[C@H](C)C2(CCC2)C1 ZINC000376604365 268000004 /nfs/dbraw/zinc/00/00/04/268000004.db2.gz OTGPHXHNUOJSKG-GOEBONIOSA-N 0 1 291.439 2.553 20 30 CFEDMN CO[C@H]1CCN(CC#Cc2ccc(F)cc2)CC1(C)C ZINC000295903655 274079989 /nfs/dbraw/zinc/07/99/89/274079989.db2.gz HCGQBSUBHMKZSP-INIZCTEOSA-N 0 1 275.367 2.924 20 30 CFEDMN C[C@@H]1CCN(Cc2ccc(C#N)cc2C(F)(F)F)[C@@H]1CO ZINC000356425819 274302698 /nfs/dbraw/zinc/30/26/98/274302698.db2.gz NNFLRBSJPDFGAS-QMTHXVAHSA-N 0 1 298.308 2.780 20 30 CFEDMN C[C@@H]1CN(C2CC2)C[C@H]1Nc1ncc(C#N)cc1Cl ZINC000268187775 274344673 /nfs/dbraw/zinc/34/46/73/274344673.db2.gz UZPLGTCZPRJLTR-NOZJJQNGSA-N 0 1 276.771 2.501 20 30 CFEDMN Cn1cncc1CNCC#Cc1ccc(C(F)(F)F)cc1 ZINC000177715331 274900133 /nfs/dbraw/zinc/90/01/33/274900133.db2.gz WSDJIXZQDBKCGK-UHFFFAOYSA-N 0 1 293.292 2.580 20 30 CFEDMN OC[C@H]1CCCN1CC#Cc1ccc(C(F)(F)F)cc1 ZINC000267331219 275049921 /nfs/dbraw/zinc/04/99/21/275049921.db2.gz ADRBZKWVVBOABD-CQSZACIVSA-N 0 1 283.293 2.514 20 30 CFEDMN O[C@H]1CCCN(CC#Cc2ccc(C(F)(F)F)cc2)CC1 ZINC000293139954 275058642 /nfs/dbraw/zinc/05/86/42/275058642.db2.gz NKUOJTYNJKRUGI-HNNXBMFYSA-N 0 1 297.320 2.904 20 30 CFEDMN CC(C)C[C@H](CNc1ccc(C#N)cc1)N1CCOCC1 ZINC000301064850 275596718 /nfs/dbraw/zinc/59/67/18/275596718.db2.gz GLXNBDPCEDLLNW-QGZVFWFLSA-N 0 1 287.407 2.717 20 30 CFEDMN C[C@@H](N[C@@H](CO)CC(F)(F)F)c1ccc(C#N)cc1 ZINC000344279327 278366762 /nfs/dbraw/zinc/36/67/62/278366762.db2.gz FAPWPUGQYOLMEL-BXKDBHETSA-N 0 1 272.270 2.522 20 30 CFEDMN CCOC(=O)C1CCN([C@H](C)c2ccc(C#N)cc2)CC1 ZINC000118390333 279533523 /nfs/dbraw/zinc/53/35/23/279533523.db2.gz KUWQIUKSAANGAT-CYBMUJFWSA-N 0 1 286.375 2.894 20 30 CFEDMN Cc1cc(CNC2CCN(c3ccc(C#N)cc3)CC2)no1 ZINC000560528568 282032435 /nfs/dbraw/zinc/03/24/35/282032435.db2.gz IPNRFHXKPICQQX-UHFFFAOYSA-N 0 1 296.374 2.613 20 30 CFEDMN N#Cc1c2c(cnc1N1CCc3cnccc31)CCC2 ZINC000563705255 290169459 /nfs/dbraw/zinc/16/94/59/290169459.db2.gz HTEVALUIZUJGGL-UHFFFAOYSA-N 0 1 262.316 2.531 20 30 CFEDMN CC(C)c1nc([C@@H](C)Nc2ncc3c(c2C#N)CCC3)n[nH]1 ZINC000564877181 290244964 /nfs/dbraw/zinc/24/49/64/290244964.db2.gz YVTQNBKQYWKLRQ-SNVBAGLBSA-N 0 1 296.378 2.857 20 30 CFEDMN N#Cc1ccc(CN2CC[C@H]2Cc2ccccc2)nc1 ZINC000566415063 290380201 /nfs/dbraw/zinc/38/02/01/290380201.db2.gz XWSBYRCHSPHHMZ-KRWDZBQOSA-N 0 1 263.344 2.770 20 30 CFEDMN C=C(C)CN1CC[C@H]1CN(C)C(=O)c1ccc(F)cc1 ZINC001085457019 782059716 /nfs/dbraw/zinc/05/97/16/782059716.db2.gz YYLFYILNOQTPJR-HNNXBMFYSA-N 0 1 276.355 2.548 20 30 CFEDMN C=C(C)CN1CC[C@H]1CN(C)C(=O)c1cccc(F)c1 ZINC001085463927 782064253 /nfs/dbraw/zinc/06/42/53/782064253.db2.gz QOXBGLNQPDOGJX-HNNXBMFYSA-N 0 1 276.355 2.548 20 30 CFEDMN Cc1cnc([C@@H](C)N2CCC(CCC#N)CC2)cn1 ZINC000570713383 327613497 /nfs/dbraw/zinc/61/34/97/327613497.db2.gz LXNRPNZYNGSPOX-CYBMUJFWSA-N 0 1 258.369 2.862 20 30 CFEDMN C=C(C)CCN1CC[C@@H]1CN(C)C(=O)c1cnc(C)s1 ZINC001085511146 782084241 /nfs/dbraw/zinc/08/42/41/782084241.db2.gz LYYNCJYUKQKSOL-CYBMUJFWSA-N 0 1 293.436 2.564 20 30 CFEDMN N#CCc1ccnc(NC(=O)c2cc(Cl)ccc2O)c1 ZINC000531674111 328022793 /nfs/dbraw/zinc/02/27/93/328022793.db2.gz ZBNXPGORXJZTHS-UHFFFAOYSA-N 0 1 287.706 2.759 20 30 CFEDMN CC[C@H](C(=O)Nc1ccc(Cl)cc1CC#N)N(C)C ZINC000563394687 328061676 /nfs/dbraw/zinc/06/16/76/328061676.db2.gz BRWWRXKPICOHFG-CYBMUJFWSA-N 0 1 279.771 2.685 20 30 CFEDMN CC(C)(CNCCC#N)Oc1cc(F)cc(F)c1 ZINC000563531054 328072159 /nfs/dbraw/zinc/07/21/59/328072159.db2.gz XEHJTFACKYCXKH-UHFFFAOYSA-N 0 1 254.280 2.625 20 30 CFEDMN C=C(C)Cn1c(CC)n[n-]c1=[NH+]c1cccc(OC)c1 ZINC000571491654 328125748 /nfs/dbraw/zinc/12/57/48/328125748.db2.gz CQTWSWXZMSYGQF-UHFFFAOYSA-N 0 1 272.352 2.591 20 30 CFEDMN CC(=O)Nc1cccc(CN2CCC(C)(C#N)CC2)c1 ZINC000272646900 328200289 /nfs/dbraw/zinc/20/02/89/328200289.db2.gz YPGXQLPLDDSOKH-UHFFFAOYSA-N 0 1 271.364 2.771 20 30 CFEDMN C=CCN(Cc1ccccc1F)C[C@H](O)C(C)C ZINC000340275208 328252835 /nfs/dbraw/zinc/25/28/35/328252835.db2.gz AWGXSDWDDQBCCT-HNNXBMFYSA-N 0 1 251.345 2.831 20 30 CFEDMN CC#CCCN1CCN([C@H](C)c2ccsc2)CC1 ZINC000185451978 329273639 /nfs/dbraw/zinc/27/36/39/329273639.db2.gz HEHDYQPCMKDQOP-CQSZACIVSA-N 0 1 262.422 2.840 20 30 CFEDMN N#CCCCNCc1c(Cl)cccc1N1CCOCC1 ZINC000293165594 328274669 /nfs/dbraw/zinc/27/46/69/328274669.db2.gz GASDPERCKCUJEX-UHFFFAOYSA-N 0 1 293.798 2.570 20 30 CFEDMN N#CCc1ccnc(NC(=O)c2ccc(Cl)cc2O)c1 ZINC000531928615 328319171 /nfs/dbraw/zinc/31/91/71/328319171.db2.gz WAUQIONHDCPMBM-UHFFFAOYSA-N 0 1 287.706 2.759 20 30 CFEDMN CCO[C@@H]1C[C@@H]1NCc1ccc(C#N)cc1C(F)(F)F ZINC000571486128 322584893 /nfs/dbraw/zinc/58/48/93/322584893.db2.gz QEUZFAMXPOGCKI-QWHCGFSZSA-N 0 1 284.281 2.844 20 30 CFEDMN CNC(=O)c1cccc(CN[C@H](C)c2ccc(C#N)cc2)c1 ZINC000173893325 323637587 /nfs/dbraw/zinc/63/75/87/323637587.db2.gz AERYEYNFVMTUBT-CYBMUJFWSA-N 0 1 293.370 2.769 20 30 CFEDMN N#Cc1ccc(CNCc2ccccc2Cn2cccn2)o1 ZINC000174252336 323645697 /nfs/dbraw/zinc/64/56/97/323645697.db2.gz KWAACBQJNWKGIK-UHFFFAOYSA-N 0 1 292.342 2.686 20 30 CFEDMN Cc1c(C#N)cccc1NC(=O)c1cn[nH]c1C1CC1 ZINC000190770995 324042792 /nfs/dbraw/zinc/04/27/92/324042792.db2.gz MUPNNPWARLQBQT-UHFFFAOYSA-N 0 1 266.304 2.720 20 30 CFEDMN COc1cc2c(cc1CNCC1(CC#N)CC1)O[C@H](C)C2 ZINC000584209009 327067087 /nfs/dbraw/zinc/06/70/87/327067087.db2.gz XLIABCHYBBEWAT-GFCCVEGCSA-N 0 1 286.375 2.802 20 30 CFEDMN C=CCCOCCN[C@H](C)c1nc2ccccc2n1C ZINC000091406749 327102439 /nfs/dbraw/zinc/10/24/39/327102439.db2.gz TYFSSDSQJXXLHA-CYBMUJFWSA-N 0 1 273.380 2.817 20 30 CFEDMN N#CCCCCN1CCN(c2ccc(Cl)cn2)CC1 ZINC000102398181 327227020 /nfs/dbraw/zinc/22/70/20/327227020.db2.gz AMUXEVLTMMOQOB-UHFFFAOYSA-N 0 1 278.787 2.551 20 30 CFEDMN N#CCCC1CCN(Cc2cnc(C3CC3)nc2)CC1 ZINC000564990021 327341323 /nfs/dbraw/zinc/34/13/23/327341323.db2.gz ARZPUXAZDGBKMV-UHFFFAOYSA-N 0 1 270.380 2.870 20 30 CFEDMN COc1ccc(C[C@@H](C)NC[C@H](C)C#N)c(C)c1OC ZINC000561956407 327434508 /nfs/dbraw/zinc/43/45/08/327434508.db2.gz GUQLKNUQOKXVQS-VXGBXAGGSA-N 0 1 276.380 2.693 20 30 CFEDMN C[C@H](CNCC1(C#N)CC1)c1cc(F)cc(F)c1 ZINC000562522507 327488320 /nfs/dbraw/zinc/48/83/20/327488320.db2.gz KZODDGSOYQJSNH-SNVBAGLBSA-N 0 1 250.292 2.962 20 30 CFEDMN CN1CCC(C#N)(NC(=O)C[C@@H]2CCCCC2(C)C)CC1 ZINC000532776911 328809667 /nfs/dbraw/zinc/80/96/67/328809667.db2.gz MOPUBWMVLNLKBC-AWEZNQCLSA-N 0 1 291.439 2.697 20 30 CFEDMN C=CCCCCCNC(=O)c1ccc(CN(C)C)nc1 ZINC000582251086 328849591 /nfs/dbraw/zinc/84/95/91/328849591.db2.gz KZQZBYIKGVMRIQ-UHFFFAOYSA-N 0 1 275.396 2.619 20 30 CFEDMN C#C[C@H](C)NCc1ccc(-c2ccncc2)cc1F ZINC000377400670 329014114 /nfs/dbraw/zinc/01/41/14/329014114.db2.gz QXIHZUBFZAYOEX-LBPRGKRZSA-N 0 1 254.308 2.999 20 30 CFEDMN C=C(C)CN(C)[C@H](C)C(=O)Nc1ccc(OCC)cc1 ZINC000181281809 329229283 /nfs/dbraw/zinc/22/92/83/329229283.db2.gz XYYKNYQSPXVHLB-CYBMUJFWSA-N 0 1 276.380 2.920 20 30 CFEDMN C=C(C)CN(C)[C@H](C)C(=O)N[C@H]1CCCC[C@@H]1C ZINC000181302652 329230585 /nfs/dbraw/zinc/23/05/85/329230585.db2.gz XTTWCNWKLGFBEU-MJBXVCDLSA-N 0 1 252.402 2.578 20 30 CFEDMN C=C(C)CN(C)[C@@H](C)C(=O)N[C@H](C)c1ccccc1OC ZINC000181309323 329230886 /nfs/dbraw/zinc/23/08/86/329230886.db2.gz WXJNGUPGJSWPKJ-KGLIPLIRSA-N 0 1 290.407 2.769 20 30 CFEDMN C=C(C)CN[C@@H](c1cnn(C)c1)c1ccc(F)cc1 ZINC000184590791 329260333 /nfs/dbraw/zinc/26/03/33/329260333.db2.gz SALLWBKXKDGGCC-OAHLLOKOSA-N 0 1 259.328 2.814 20 30 CFEDMN C=CCOc1ccc(C(=O)Nc2nc(C3CCC3)n[nH]2)cc1 ZINC000184621144 329261340 /nfs/dbraw/zinc/26/13/40/329261340.db2.gz YHBPHIKFOAUHKD-UHFFFAOYSA-N 0 1 298.346 2.889 20 30 CFEDMN C=CCOc1ccc(C(=O)Nc2n[nH]c(C3CCC3)n2)cc1 ZINC000184621144 329261342 /nfs/dbraw/zinc/26/13/42/329261342.db2.gz YHBPHIKFOAUHKD-UHFFFAOYSA-N 0 1 298.346 2.889 20 30 CFEDMN C=C[C@](C)(CC)C(=O)N1CCN(CCOC)[C@H](CCC)C1 ZINC000188557976 329369843 /nfs/dbraw/zinc/36/98/43/329369843.db2.gz UROHTKYTIYNXGO-NVXWUHKLSA-N 0 1 296.455 2.548 20 30 CFEDMN COc1cc(C)nc(CN2CCC(CCC#N)CC2)c1 ZINC000399281556 329449857 /nfs/dbraw/zinc/44/98/57/329449857.db2.gz BIZBMBWVZHONBS-UHFFFAOYSA-N 0 1 273.380 2.914 20 30 CFEDMN COCCCOc1cccc(CN2CCC(C#N)CC2)c1 ZINC000123778881 329562833 /nfs/dbraw/zinc/56/28/33/329562833.db2.gz YFNOVSPLYQFHSE-UHFFFAOYSA-N 0 1 288.391 2.837 20 30 CFEDMN C=CCOc1ccc(C[N@@H+]2CCC[C@@H]2C(=O)[O-])cc1Cl ZINC000263388792 330053623 /nfs/dbraw/zinc/05/36/23/330053623.db2.gz DSNTWCXAVVWTFI-CYBMUJFWSA-N 0 1 295.766 2.954 20 30 CFEDMN C=CCOc1ccc(C[N@@H+]2C[C@@H](C(=O)[O-])CC[C@H]2C)cc1 ZINC000422639943 330150608 /nfs/dbraw/zinc/15/06/08/330150608.db2.gz YJGRZTZXLJUYTI-HIFRSBDPSA-N 0 1 289.375 2.937 20 30 CFEDMN C=CCOc1ccc(C[N@@H+]2C[C@H](C(=O)[O-])CC[C@@H]2C)cc1 ZINC000422639942 330150627 /nfs/dbraw/zinc/15/06/27/330150627.db2.gz YJGRZTZXLJUYTI-DZGCQCFKSA-N 0 1 289.375 2.937 20 30 CFEDMN C=CCn1cc(CNC2CC(c3ccccc3C)C2)nn1 ZINC000424292794 330335240 /nfs/dbraw/zinc/33/52/40/330335240.db2.gz HJDPJRHILQWGGI-UHFFFAOYSA-N 0 1 282.391 2.808 20 30 CFEDMN COC[C@@H](N[C@@H]1CC[C@H](C#N)C1)c1ccc(F)c(F)c1 ZINC000424332568 330342716 /nfs/dbraw/zinc/34/27/16/330342716.db2.gz TULIRKZLGWZBHL-JVLSTEMRSA-N 0 1 280.318 2.934 20 30 CFEDMN C=C[C@](C)(CCOC)c1nc(C2(N)CCCCC2)no1 ZINC000424338419 330343841 /nfs/dbraw/zinc/34/38/41/330343841.db2.gz ACRLMPRSAFQEHI-CQSZACIVSA-N 0 1 279.384 2.668 20 30 CFEDMN C=CCN(C)[C@@H](C)C(=O)N1CCC[C@@H]1c1cccs1 ZINC000121151871 330395955 /nfs/dbraw/zinc/39/59/55/330395955.db2.gz GNDRYEKXOFRJJP-QWHCGFSZSA-N 0 1 278.421 2.918 20 30 CFEDMN CO[C@](C)(CNC[C@@H](C#N)CCC#N)c1ccccc1 ZINC000514925623 330467384 /nfs/dbraw/zinc/46/73/84/330467384.db2.gz MDPPMWINJUCFEJ-GDBMZVCRSA-N 0 1 271.364 2.581 20 30 CFEDMN Cc1cccc(C)c1NC(=O)CN[C@@H]1CC[C@@H](C#N)C1 ZINC000442634020 330777617 /nfs/dbraw/zinc/77/76/17/330777617.db2.gz LTDIRVAHAIPGJO-ZIAGYGMSSA-N 0 1 271.364 2.524 20 30 CFEDMN CC(C)(C#N)CCCC[N@H+]1CCC[C@@H](c2n[n-]c(=O)o2)C1 ZINC000450898053 331005711 /nfs/dbraw/zinc/00/57/11/331005711.db2.gz BFAHHGFBKICTHO-GFCCVEGCSA-N 0 1 292.383 2.675 20 30 CFEDMN CC(C)(C#N)CCCC[N@H+]1CCCC[C@@H]1c1n[nH]c(=O)[n-]1 ZINC000450986578 331010284 /nfs/dbraw/zinc/01/02/84/331010284.db2.gz PZPRANUWSBLPSS-GFCCVEGCSA-N 0 1 291.399 2.757 20 30 CFEDMN C=CCNC(=O)CN[C@H](c1ccc(F)c(Cl)c1)C1CC1 ZINC000451356206 331025575 /nfs/dbraw/zinc/02/55/75/331025575.db2.gz QXYDNRXFPCUTJP-HNNXBMFYSA-N 0 1 296.773 2.822 20 30 CFEDMN C[C@@H]([N@@H+](C)CC#Cc1ccccc1Cl)C(C)(C)O ZINC000451364075 331025931 /nfs/dbraw/zinc/02/59/31/331025931.db2.gz CDJWTFSORXNLQU-GFCCVEGCSA-N 0 1 265.784 2.783 20 30 CFEDMN C=C[C@@H]1OCC[C@H]1NCc1cc(-c2ccccc2)no1 ZINC000451595557 331035546 /nfs/dbraw/zinc/03/55/46/331035546.db2.gz DHVYJSDFHAEFNL-ZBFHGGJFSA-N 0 1 270.332 2.775 20 30 CFEDMN CC#CCCNCc1cc(OC)ccc1Br ZINC000163417287 331037141 /nfs/dbraw/zinc/03/71/41/331037141.db2.gz JRHYOTOVRRGTQN-UHFFFAOYSA-N 0 1 282.181 2.961 20 30 CFEDMN C=C[C@@H]1OCCC[C@H]1NCc1nc2cc(F)ccc2o1 ZINC000451676072 331038514 /nfs/dbraw/zinc/03/85/14/331038514.db2.gz RQYJFPYQWWIJAX-YPMHNXCESA-N 0 1 276.311 2.790 20 30 CFEDMN C=C[C@@H]1OCCC[C@H]1NCc1c(F)cccc1F ZINC000451682278 331038997 /nfs/dbraw/zinc/03/89/97/331038997.db2.gz ORNWYGPFENGIFS-KGLIPLIRSA-N 0 1 253.292 2.788 20 30 CFEDMN C=CCC1(C(=O)N[C@@H](C)c2n[nH]c(C)n2)CCCCC1 ZINC000451749980 331041095 /nfs/dbraw/zinc/04/10/95/331041095.db2.gz SMYYMDNZJHACJB-NSHDSACASA-N 0 1 276.384 2.817 20 30 CFEDMN Cc1ccc(CN(C)[C@H](C)C(=O)NC2(C#N)CCC2)cc1C ZINC000452050770 331052214 /nfs/dbraw/zinc/05/22/14/331052214.db2.gz XNDPXZVKGQOEDZ-OAHLLOKOSA-N 0 1 299.418 2.686 20 30 CFEDMN C[C@H]1C[C@H](O)CN(CC#Cc2ccc(C(F)(F)F)cc2)C1 ZINC000452069972 331052735 /nfs/dbraw/zinc/05/27/35/331052735.db2.gz RCNOIIXUQHASPP-WFASDCNBSA-N 0 1 297.320 2.760 20 30 CFEDMN Cc1nc(C(C)C)ccc1C(=O)C(C#N)c1ccncn1 ZINC000453757615 331137963 /nfs/dbraw/zinc/13/79/63/331137963.db2.gz WMAGHVJNSJTCFA-CYBMUJFWSA-N 0 1 280.331 2.794 20 30 CFEDMN Cc1nc(C(C)C)ccc1C(=O)[C@H](C#N)c1ccncn1 ZINC000453757615 331137964 /nfs/dbraw/zinc/13/79/64/331137964.db2.gz WMAGHVJNSJTCFA-CYBMUJFWSA-N 0 1 280.331 2.794 20 30 CFEDMN C=C(C)CCNC(=O)NC[C@@H](c1cccs1)N(C)C ZINC000455313819 331165638 /nfs/dbraw/zinc/16/56/38/331165638.db2.gz QYGCHJSFFQQUGZ-LBPRGKRZSA-N 0 1 281.425 2.616 20 30 CFEDMN C=CCCc1ccccc1NC(=O)NCc1n[nH]c(CC)n1 ZINC000455381094 331168011 /nfs/dbraw/zinc/16/80/11/331168011.db2.gz IZIORFSLMFPWLW-UHFFFAOYSA-N 0 1 299.378 2.807 20 30 CFEDMN Cc1cccc2nc(CNC(=O)NCC(C)(C)CC#N)[nH]c21 ZINC000458602101 331253954 /nfs/dbraw/zinc/25/39/54/331253954.db2.gz BKIJRNDAHIFGLT-UHFFFAOYSA-N 0 1 299.378 2.610 20 30 CFEDMN C=C(C)CCNC(=O)N[C@H](C)c1n[nH]c([C@@H](C)CC)n1 ZINC000459003158 331265820 /nfs/dbraw/zinc/26/58/20/331265820.db2.gz ONYAFRDLQSMURW-WDEREUQCSA-N 0 1 279.388 2.645 20 30 CFEDMN Cn1cncc1CCN1CCC[C@H]1[C@H](C#N)c1ccccc1 ZINC000459363610 331278161 /nfs/dbraw/zinc/27/81/61/331278161.db2.gz RQGIQOZDGSXAIL-MSOLQXFVSA-N 0 1 294.402 2.734 20 30 CFEDMN C=C(C)C[N@H+](CCc1cn[nH]c1)Cc1cnn(C(C)C)c1 ZINC000459460676 331282622 /nfs/dbraw/zinc/28/26/22/331282622.db2.gz IYJPLGUUWIVXCZ-UHFFFAOYSA-N 0 1 287.411 2.808 20 30 CFEDMN Cc1ccccc1NC(=O)CCN[C@@H]1CCC[C@H]1C#N ZINC000459464482 331283030 /nfs/dbraw/zinc/28/30/30/331283030.db2.gz MJKIKPYQQWPMRQ-DZGCQCFKSA-N 0 1 271.364 2.606 20 30 CFEDMN C=CCN1CC[C@@H](N2Cc3sccc3CC2(C)C)C1=O ZINC000459578509 331288922 /nfs/dbraw/zinc/28/89/22/331288922.db2.gz IJTMEMPTYDRWDX-CYBMUJFWSA-N 0 1 290.432 2.672 20 30 CFEDMN C=CCOc1cccc(CN2CC(C)(COC)C2)c1 ZINC000459622070 331290912 /nfs/dbraw/zinc/29/09/12/331290912.db2.gz OXAFTMYQYSOTKE-UHFFFAOYSA-N 0 1 261.365 2.720 20 30 CFEDMN COc1ccc(F)cc1CNCC(C)(C)CC#N ZINC000459684411 331294379 /nfs/dbraw/zinc/29/43/79/331294379.db2.gz CJMASHIESSGPOG-UHFFFAOYSA-N 0 1 250.317 2.864 20 30 CFEDMN CC(C)(CC#N)CNCc1ccc([N+](=O)[O-])cc1F ZINC000459727377 331296109 /nfs/dbraw/zinc/29/61/09/331296109.db2.gz GJXGZBKPMDVFTE-UHFFFAOYSA-N 0 1 265.288 2.763 20 30 CFEDMN C=CCc1cc(CN2C[C@@H]3C[C@H]2CS3)cc(OC)c1O ZINC000459749727 331298125 /nfs/dbraw/zinc/29/81/25/331298125.db2.gz IQPHOYZGXHNNNJ-KBPBESRZSA-N 0 1 291.416 2.819 20 30 CFEDMN C=C(CNC(=O)c1ccc(CN(C)C)nc1)c1ccccc1 ZINC000488914962 332033657 /nfs/dbraw/zinc/03/36/57/332033657.db2.gz RSCHBPRUAMOWJS-UHFFFAOYSA-N 0 1 295.386 2.586 20 30 CFEDMN C=C[C@@H]1CCCCN1CC(=O)NCc1ccc(Cl)cc1 ZINC000489409008 332050549 /nfs/dbraw/zinc/05/05/49/332050549.db2.gz WYQZUTQBDJVKKW-OAHLLOKOSA-N 0 1 292.810 2.997 20 30 CFEDMN C#CCN1CCC(C(=O)N2CCC[C@@H](C(C)C)CC2)CC1 ZINC000490671674 332101854 /nfs/dbraw/zinc/10/18/54/332101854.db2.gz UDRYEMWGUXROCA-MRXNPFEDSA-N 0 1 290.451 2.616 20 30 CFEDMN C#CCN1CCC(C(=O)OCc2ccccc2CC)CC1 ZINC000490715107 332107697 /nfs/dbraw/zinc/10/76/97/332107697.db2.gz UGWLQANXFOZKCZ-UHFFFAOYSA-N 0 1 285.387 2.637 20 30 CFEDMN C#CCn1ccc(CN(CCOC)C[C@H](C)CC(C)C)n1 ZINC000490803433 332116939 /nfs/dbraw/zinc/11/69/39/332116939.db2.gz MTTQHUAIWRFNAO-MRXNPFEDSA-N 0 1 291.439 2.647 20 30 CFEDMN C#CCN1CCC(C(=O)N2CCC[C@@H]2CCCCC)CC1 ZINC000490804169 332117130 /nfs/dbraw/zinc/11/71/30/332117130.db2.gz UQONPAXKZPGCEI-KRWDZBQOSA-N 0 1 290.451 2.903 20 30 CFEDMN C#CCN1CCC(c2nc(-c3ccc(C#C)cc3)no2)CC1 ZINC000491038162 332141298 /nfs/dbraw/zinc/14/12/98/332141298.db2.gz HRNGMTUWZIQHSL-UHFFFAOYSA-N 0 1 291.354 2.531 20 30 CFEDMN C#CCN(CC)C(=O)c1cc(-c2ccc(C)cc2C)[nH]n1 ZINC000491039924 332141736 /nfs/dbraw/zinc/14/17/36/332141736.db2.gz RBACCEPZXJVSRI-UHFFFAOYSA-N 0 1 281.359 2.789 20 30 CFEDMN C#C[C@@H](NCc1cnc(-c2ccccc2OC)nc1)C(C)C ZINC000491338560 332192563 /nfs/dbraw/zinc/19/25/63/332192563.db2.gz JNDJTBJSWLJABR-MRXNPFEDSA-N 0 1 295.386 2.900 20 30 CFEDMN C#CCN1CCC[C@@H]1c1nc2ccc(Cl)cc2[nH]1 ZINC000491453851 332214786 /nfs/dbraw/zinc/21/47/86/332214786.db2.gz UDLLHNVCZLXDFU-CYBMUJFWSA-N 0 1 259.740 2.986 20 30 CFEDMN C#C[C@@H](C)N(C)Cc1cccc(C(=O)NCC(C)C)c1 ZINC000491464808 332216832 /nfs/dbraw/zinc/21/68/32/332216832.db2.gz UACFHRXUQPFHQH-CQSZACIVSA-N 0 1 272.392 2.526 20 30 CFEDMN C#C[C@H](CC)NCc1c(C(C)C)nc2sc(C)nn12 ZINC000491555456 332237423 /nfs/dbraw/zinc/23/74/23/332237423.db2.gz RFOCBKJFMOATDW-LLVKDONJSA-N 0 1 276.409 2.724 20 30 CFEDMN C#CCn1ccc(CN(CC)CCc2ncc(C)cc2C)n1 ZINC000491631729 332254232 /nfs/dbraw/zinc/25/42/32/332254232.db2.gz YVTMFRMVIQDVKB-UHFFFAOYSA-N 0 1 296.418 2.593 20 30 CFEDMN C#CCN(Cc1ccc(OCOCC)cc1)C1CC1 ZINC000491676425 332281898 /nfs/dbraw/zinc/28/18/98/332281898.db2.gz WLBJFSMDCHRQEO-UHFFFAOYSA-N 0 1 259.349 2.657 20 30 CFEDMN C#C[C@@H](NC(=O)c1ccc2cncn2c1)c1ccc(F)cc1 ZINC000491723362 332308216 /nfs/dbraw/zinc/30/82/16/332308216.db2.gz AYHHXRSVMAEVOD-MRXNPFEDSA-N 0 1 293.301 2.578 20 30 CFEDMN C#CCn1ccc(CN(CC)CC(C)(C)CCC#N)n1 ZINC000491744476 332322566 /nfs/dbraw/zinc/32/25/66/332322566.db2.gz MCRFNZONAOCTID-UHFFFAOYSA-N 0 1 272.396 2.668 20 30 CFEDMN C#C[C@@H](NCc1cnn(CC(F)(F)F)c1)C(C)(C)C ZINC000491777135 332342595 /nfs/dbraw/zinc/34/25/95/332342595.db2.gz ZDHMMZNSZSZKOS-LLVKDONJSA-N 0 1 273.302 2.583 20 30 CFEDMN C#CCN(Cc1c[nH]nc1-c1cccs1)C1CC1 ZINC000491808734 332361637 /nfs/dbraw/zinc/36/16/37/332361637.db2.gz VZXROMKFEIEJRG-UHFFFAOYSA-N 0 1 257.362 2.736 20 30 CFEDMN Cc1cccc2nc(CCC(=O)N(C)[C@@H](C)CC#N)[nH]c21 ZINC000176238896 333040451 /nfs/dbraw/zinc/04/04/51/333040451.db2.gz AYBKYTPTKLIJGO-LBPRGKRZSA-N 0 1 284.363 2.565 20 30 CFEDMN CC[C@H](C)C[N@@H+](CC)CC(=O)NC1(C#N)CCCCC1 ZINC000177860493 333064215 /nfs/dbraw/zinc/06/42/15/333064215.db2.gz FTSZBLWUSVPICD-AWEZNQCLSA-N 0 1 279.428 2.697 20 30 CFEDMN CC[C@@H](CC#N)NC[C@@H](O)Cc1cccc(Cl)c1 ZINC000516935915 333086818 /nfs/dbraw/zinc/08/68/18/333086818.db2.gz NFQYZNUFXMTOLI-KBPBESRZSA-N 0 1 266.772 2.525 20 30 CFEDMN C[C@H](NC[C@H](C#N)CCC#N)[C@@H]1Oc2ccccc2[C@H]1C ZINC000517058017 333091431 /nfs/dbraw/zinc/09/14/31/333091431.db2.gz YYLVAPBMAOEPBQ-XJIUQZFPSA-N 0 1 283.375 2.973 20 30 CFEDMN N#CCC[C@@H](C#N)CNCCSCc1ccccc1C#N ZINC000517557061 333102600 /nfs/dbraw/zinc/10/26/00/333102600.db2.gz VTFFPJQOYLFFIR-AWEZNQCLSA-N 0 1 298.415 2.825 20 30 CFEDMN C=CCN(CCOC)Cc1cc2c(c(Cl)c1)OCO2 ZINC000521238378 333116146 /nfs/dbraw/zinc/11/61/46/333116146.db2.gz YGDMIUCCWGLOHI-UHFFFAOYSA-N 0 1 283.755 2.703 20 30 CFEDMN C#CCN1CCC(C(=O)N([C@H](C)CC)[C@H](C)CC)CC1 ZINC000184939217 333133528 /nfs/dbraw/zinc/13/35/28/333133528.db2.gz BIDQPRQNDAZPQG-HUUCEWRRSA-N 0 1 278.440 2.757 20 30 CFEDMN CC[C@@H]1Cc2ccccc2CN1CC(=O)N(CC)CCC#N ZINC000185805025 333149161 /nfs/dbraw/zinc/14/91/61/333149161.db2.gz SLQJWFVJBLRXIK-QGZVFWFLSA-N 0 1 299.418 2.585 20 30 CFEDMN CC(C)c1nc(CN(CC#N)C2CC2)c2ccccn21 ZINC000575874290 335127024 /nfs/dbraw/zinc/12/70/24/335127024.db2.gz WNWSVUBLQLKRFO-UHFFFAOYSA-N 0 1 268.364 2.946 20 30 CFEDMN N#CC1CCN(C(=O)c2cc(-c3cccs3)[nH]n2)CC1 ZINC000195403838 333252323 /nfs/dbraw/zinc/25/23/23/333252323.db2.gz SOMMPZNBASNMPQ-UHFFFAOYSA-N 0 1 286.360 2.514 20 30 CFEDMN C#C[C@@H](CC)NCc1ccc(OC)c(OC)c1Cl ZINC000229894633 333310929 /nfs/dbraw/zinc/31/09/29/333310929.db2.gz BRMFQURKCOJQSO-NSHDSACASA-N 0 1 267.756 2.859 20 30 CFEDMN C=CCn1c(C2CCCC2)n[n-]c1=[NH+]c1c(C)n[nH]c1C ZINC000576030950 335143356 /nfs/dbraw/zinc/14/33/56/335143356.db2.gz VWHYCJLTOLZEEX-UHFFFAOYSA-N 0 1 286.383 2.627 20 30 CFEDMN CCC(C#N)(CC)C(=O)N=c1cc(-c2ccc(C)o2)[nH][nH]1 ZINC000529514456 333492198 /nfs/dbraw/zinc/49/21/98/333492198.db2.gz IIJCMIPRYCGINI-UHFFFAOYSA-N 0 1 286.335 2.669 20 30 CFEDMN C#CCN1CCC(C(=O)N(CC)c2cccc(F)c2)CC1 ZINC000067161423 333634576 /nfs/dbraw/zinc/63/45/76/333634576.db2.gz NWKRTNIANBPBOL-UHFFFAOYSA-N 0 1 288.366 2.524 20 30 CFEDMN CN(C)Cc1ccsc1C(=O)N1CCC(CC#N)CC1 ZINC000541981263 333804944 /nfs/dbraw/zinc/80/49/44/333804944.db2.gz PCDBPZPLDASLQD-UHFFFAOYSA-N 0 1 291.420 2.576 20 30 CFEDMN N#CCN(C(=O)c1cc(-c2ccoc2)[nH]n1)C1CCCC1 ZINC000576148424 335160521 /nfs/dbraw/zinc/16/05/21/335160521.db2.gz FPRFVLUFJNZTQG-UHFFFAOYSA-N 0 1 284.319 2.578 20 30 CFEDMN C=C(C)CN(CC)C(=O)C[N@H+]1CCC[C@H]2CCC[C@@H]21 ZINC000075768932 334050783 /nfs/dbraw/zinc/05/07/83/334050783.db2.gz JOUMCWCWKIXSQU-CABCVRRESA-N 0 1 264.413 2.676 20 30 CFEDMN Cc1cc(-c2noc(C3(C#N)CCC3)n2)cc2nc[nH]c21 ZINC000547144224 334069067 /nfs/dbraw/zinc/06/90/67/334069067.db2.gz GOIAAGAVCZKXAZ-UHFFFAOYSA-N 0 1 279.303 2.867 20 30 CFEDMN CC[C@@H](CC1CCCC1)C(=O)NC1(C#N)CCN(C)CC1 ZINC000576254670 335178503 /nfs/dbraw/zinc/17/85/03/335178503.db2.gz GHLIYDWBYNJAIC-HNNXBMFYSA-N 0 1 291.439 2.697 20 30 CFEDMN C[C@H](CC#N)N(C)C[C@@]1(C)CCN(C(=O)OC(C)(C)C)C1 ZINC000248662179 334312159 /nfs/dbraw/zinc/31/21/59/334312159.db2.gz GJMLAOGQVHJISO-CZUORRHYSA-N 0 1 295.427 2.867 20 30 CFEDMN C[C@](C#N)(NC(=O)c1ccc2cncn2c1)C1CCCCC1 ZINC000555888415 334491253 /nfs/dbraw/zinc/49/12/53/334491253.db2.gz QNABGMGBZFFMHZ-QGZVFWFLSA-N 0 1 296.374 2.927 20 30 CFEDMN CCN(CCNC[C@@H](C#N)CCC#N)c1ccccc1C ZINC000564842622 334523486 /nfs/dbraw/zinc/52/34/86/334523486.db2.gz FDDGUKNEYCBBEA-MRXNPFEDSA-N 0 1 284.407 2.854 20 30 CFEDMN CCC(CC)CN(CCC#N)C(=O)[C@H](C)Cc1cnc[nH]1 ZINC000576357775 335194073 /nfs/dbraw/zinc/19/40/73/335194073.db2.gz SNPBKQYRXWCVJU-CYBMUJFWSA-N 0 1 290.411 2.767 20 30 CFEDMN C=C(C)CC[N@H+]1CC[C@@](C(=O)[O-])(c2ccccc2)C1 ZINC000576881579 335259707 /nfs/dbraw/zinc/25/97/07/335259707.db2.gz VBKRCLCOPSRERA-INIZCTEOSA-N 0 1 259.349 2.681 20 30 CFEDMN Cc1ccc(NC(=O)C[C@@H](C)NC[C@@H](C)C#N)c(C)c1 ZINC000183833158 335908672 /nfs/dbraw/zinc/90/86/72/335908672.db2.gz VCNIUSFPYCWQPE-GXTWGEPZSA-N 0 1 273.380 2.770 20 30 CFEDMN N#CC1(CNCCC(=O)Nc2cccc(Cl)c2)CCC1 ZINC000581998278 336188069 /nfs/dbraw/zinc/18/80/69/336188069.db2.gz CYWRVGSPSCISJW-UHFFFAOYSA-N 0 1 291.782 2.952 20 30 CFEDMN C#CCCN1CC[C@@H]1CN(C)C(=O)c1csc(C)c1C ZINC001085616323 782117009 /nfs/dbraw/zinc/11/70/09/782117009.db2.gz JUXYICPRSVOHPY-CQSZACIVSA-N 0 1 290.432 2.535 20 30 CFEDMN N#CCc1cnc(F)c(-c2ccc(O)c(F)c2F)c1 ZINC001243341704 782146301 /nfs/dbraw/zinc/14/63/01/782146301.db2.gz WXLNXEDSYJOSGP-UHFFFAOYSA-N 0 1 264.206 2.938 20 30 CFEDMN C[C@]1(C#N)CCCN(C(=O)c2cnc(-c3ccccc3)[nH]2)C1 ZINC000612371428 500944935 /nfs/dbraw/zinc/94/49/35/500944935.db2.gz LXNGFSZDFPGERD-QGZVFWFLSA-N 0 1 294.358 2.843 20 30 CFEDMN C[C@H](NCC(=O)NC1(C#N)CCC1)c1cccc(Cl)c1 ZINC000347012548 533820961 /nfs/dbraw/zinc/82/09/61/533820961.db2.gz SJHOCGSQLQUHPD-NSHDSACASA-N 0 1 291.782 2.553 20 30 CFEDMN CC(C)(C)[C@H]1CCN(Cc2ccc(C#N)c(F)c2)C[C@@H]1O ZINC000361866481 518978531 /nfs/dbraw/zinc/97/85/31/518978531.db2.gz BDTMRRMOSHWZED-HOCLYGCPSA-N 0 1 290.382 2.926 20 30 CFEDMN CC1(C)CN(Cc2ccc(F)c(C#N)c2)[C@@H]2COC[C@@H]21 ZINC000336291979 520479008 /nfs/dbraw/zinc/47/90/08/520479008.db2.gz XTSDEJYLUAEOOM-DZGCQCFKSA-N 0 1 274.339 2.554 20 30 CFEDMN Cc1occc1CN1CC[C@@H](Oc2ccc(C#N)cn2)C1 ZINC000414455144 534571654 /nfs/dbraw/zinc/57/16/54/534571654.db2.gz ROBDUPMBKDIKLT-OAHLLOKOSA-N 0 1 283.331 2.508 20 30 CFEDMN CCN1CCC[C@H](Nc2nccc(C#N)c2Cl)C1 ZINC000233498244 521649662 /nfs/dbraw/zinc/64/96/62/521649662.db2.gz HWKGDASWIIIBEU-NSHDSACASA-N 0 1 264.760 2.503 20 30 CFEDMN CC[C@H]1CCCC[C@H]1C(=O)N=c1[nH]n(C(C)C)cc1C#N ZINC000361762482 523053392 /nfs/dbraw/zinc/05/33/92/523053392.db2.gz BEVGQXKSJJQBGH-GXTWGEPZSA-N 0 1 288.395 2.912 20 30 CFEDMN COCCCN(C)Cc1ccc(C#N)cc1Cl ZINC000162902342 523228310 /nfs/dbraw/zinc/22/83/10/523228310.db2.gz ZZYDAHXVOZZSOC-UHFFFAOYSA-N 0 1 252.745 2.680 20 30 CFEDMN CO[C@H]1CCN(Cc2cccc(C#N)c2F)CC1(C)C ZINC000336294222 523996618 /nfs/dbraw/zinc/99/66/18/523996618.db2.gz JFSLUTVIFBHOTL-AWEZNQCLSA-N 0 1 276.355 2.944 20 30 CFEDMN CO[C@H]1CCN(Cc2cn3ccccc3c2C#N)C[C@H]1C ZINC000336276074 523996750 /nfs/dbraw/zinc/99/67/50/523996750.db2.gz GWESALMFZHREGO-DYVFJYSZSA-N 0 1 283.375 2.668 20 30 CFEDMN C[C@@H](C(=O)Nc1ccc2[nH]nnc2c1)c1cccc(C#N)c1 ZINC000360327679 524265216 /nfs/dbraw/zinc/26/52/16/524265216.db2.gz MAYVEAUZCJUTKG-SNVBAGLBSA-N 0 1 291.314 2.572 20 30 CFEDMN COc1ccnc(NCc2c(F)cc(C#N)cc2F)c1 ZINC000192753246 524849697 /nfs/dbraw/zinc/84/96/97/524849697.db2.gz XIGPUBJOPNWHAK-UHFFFAOYSA-N 0 1 275.258 2.852 20 30 CFEDMN C[C@@H](NC[C@](C)(O)C(F)(F)F)c1ccc(C#N)cc1F ZINC000337206442 525505981 /nfs/dbraw/zinc/50/59/81/525505981.db2.gz MNPCIOMVYDQONJ-PELKAZGASA-N 0 1 290.260 2.661 20 30 CFEDMN C[C@@H](NCc1ccc(C#N)o1)c1ccc2n[nH]cc2c1 ZINC000353103212 525517708 /nfs/dbraw/zinc/51/77/08/525517708.db2.gz QYVCANVMALGCLG-SNVBAGLBSA-N 0 1 266.304 2.878 20 30 CFEDMN C[C@@H]1[C@@H](C)CCCN1CC(=O)Nc1ccc(C#N)cc1 ZINC000050564743 525640266 /nfs/dbraw/zinc/64/02/66/525640266.db2.gz ZVFUQSDHWLMOGO-QWHCGFSZSA-N 0 1 271.364 2.617 20 30 CFEDMN C=CCN(CCc1ccco1)Cc1cnc(C)cn1 ZINC000352702041 526327206 /nfs/dbraw/zinc/32/72/06/526327206.db2.gz QFVKFDQVDMJLPE-UHFFFAOYSA-N 0 1 257.337 2.609 20 30 CFEDMN C=CCN(Cc1ccc([N+](=O)[O-])c(OC)c1)C1CC1 ZINC000352781800 526341499 /nfs/dbraw/zinc/34/14/99/526341499.db2.gz ZVAHALAFVCMKFP-UHFFFAOYSA-N 0 1 262.309 2.754 20 30 CFEDMN C=CCN(Cc1[nH]ncc1C)Cc1cccc([N+](=O)[O-])c1 ZINC000356059939 526380239 /nfs/dbraw/zinc/38/02/39/526380239.db2.gz IBCYDPYSZHSPCK-UHFFFAOYSA-N 0 1 286.335 2.815 20 30 CFEDMN C=C(C)CCN1CCN(C(=O)Cc2ccc(C)cc2)CC1 ZINC000352131470 526446185 /nfs/dbraw/zinc/44/61/85/526446185.db2.gz RNBQJMCUEXMIAC-UHFFFAOYSA-N 0 1 286.419 2.648 20 30 CFEDMN C=C(C)CN(CC)CC(=O)NCc1sccc1C ZINC000114712430 526546815 /nfs/dbraw/zinc/54/68/15/526546815.db2.gz FVKZGVIXRBWXKZ-UHFFFAOYSA-N 0 1 266.410 2.571 20 30 CFEDMN C=C(C)CN(CC)Cc1cc(C(=O)OCC)co1 ZINC000353362522 526547404 /nfs/dbraw/zinc/54/74/04/526547404.db2.gz HDGFOTINIUKLES-UHFFFAOYSA-N 0 1 251.326 2.854 20 30 CFEDMN C=C(C)CN(Cc1ccccc1)C(=O)c1ccn[nH]1 ZINC000347854776 526566776 /nfs/dbraw/zinc/56/67/76/526566776.db2.gz ARSJLNAWJFTRCK-UHFFFAOYSA-N 0 1 255.321 2.628 20 30 CFEDMN CN(Cc1cc(C(C)(C)C)[nH]n1)c1ncccc1C#N ZINC000444865483 536456630 /nfs/dbraw/zinc/45/66/30/536456630.db2.gz OFIPROYQNUOYQH-UHFFFAOYSA-N 0 1 269.352 2.610 20 30 CFEDMN N#Cc1ccc(CN2CCC(c3c[nH]cn3)CC2)cc1F ZINC000334193743 526611396 /nfs/dbraw/zinc/61/13/96/526611396.db2.gz SLXLZYQNSJXUBZ-UHFFFAOYSA-N 0 1 284.338 2.800 20 30 CFEDMN N#Cc1ccc(CNCc2ccc3ncccc3c2)o1 ZINC000192977723 526622692 /nfs/dbraw/zinc/62/26/92/526622692.db2.gz BYLBPIOEVMICCE-UHFFFAOYSA-N 0 1 263.300 2.989 20 30 CFEDMN N#Cc1cccc(CN2CC[C@@H](O)CC23CCC3)c1F ZINC000334970574 526705442 /nfs/dbraw/zinc/70/54/42/526705442.db2.gz ZXBFZMYPWUOFBW-CQSZACIVSA-N 0 1 274.339 2.577 20 30 CFEDMN Cn1nc2c(c1CNCc1ccc(C#N)s1)CCCC2 ZINC000361061409 527557935 /nfs/dbraw/zinc/55/79/35/527557935.db2.gz QHEMGXRNMZDNFP-UHFFFAOYSA-N 0 1 286.404 2.522 20 30 CFEDMN CCOc1c(F)cccc1C(=O)C(C#N)c1ccncn1 ZINC000354462304 528184100 /nfs/dbraw/zinc/18/41/00/528184100.db2.gz HLBGPDRPNLZNAS-LLVKDONJSA-N 0 1 285.278 2.504 20 30 CFEDMN CCOC(=O)c1ccc(C(=O)C(C#N)c2ccccn2)cc1 ZINC000355091878 528207701 /nfs/dbraw/zinc/20/77/01/528207701.db2.gz AIPPJRBMBGJFOQ-CQSZACIVSA-N 0 1 294.310 2.748 20 30 CFEDMN CCCN1CCN(c2cc(C(F)(F)F)cnc2C#N)CC1 ZINC000413026474 528248820 /nfs/dbraw/zinc/24/88/20/528248820.db2.gz VMFKQFVSFVFAFX-UHFFFAOYSA-N 0 1 298.312 2.504 20 30 CFEDMN CC(C)[C@H](C)N(C([O-])=[NH+][C@H]1CCn2ccnc2C1)C1CC1 ZINC000330278891 528950777 /nfs/dbraw/zinc/95/07/77/528950777.db2.gz QFQNDTODZZFCHX-STQMWFEESA-N 0 1 290.411 2.621 20 30 CFEDMN CC[C@H](C)c1nc([C@H](C)NC(=O)[C@@H]2CCCO2)n[nH]1 ZINC000330187669 529276479 /nfs/dbraw/zinc/27/64/79/529276479.db2.gz KOQINARLNNNYAT-GUBZILKMSA-N 0 1 266.345 2.515 20 30 CFEDMN C=C[C@@H](C)NC(=O)[C@@H]1CCCCN1Cc1ccccc1 ZINC000155856599 545573291 /nfs/dbraw/zinc/57/32/91/545573291.db2.gz ZQIRDOWRNNNNGG-ZBFHGGJFSA-N 0 1 272.392 2.732 20 30 CFEDMN C=C(C)CN1CC[C@@H]1CN(C)C(=O)[C@H]1CCC(C)(C)C1 ZINC001085803677 782169116 /nfs/dbraw/zinc/16/91/16/782169116.db2.gz UKSWFLAFWPXPMU-LSDHHAIUSA-N 0 1 278.440 2.922 20 30 CFEDMN C=C(C)CN1CC[C@H]1CN(C)C(=O)c1cccc2cc[nH]c21 ZINC001085830296 782178753 /nfs/dbraw/zinc/17/87/53/782178753.db2.gz VQRJARQQRRHZNI-HNNXBMFYSA-N 0 1 297.402 2.890 20 30 CFEDMN N#Cc1ccc(O)c(NC(=O)C[C@@H]2CC=CCC2)c1 ZINC000935108194 649876511 /nfs/dbraw/zinc/87/65/11/649876511.db2.gz NEHJLSJFTDOZCQ-LLVKDONJSA-N 0 1 256.305 2.949 20 30 CFEDMN Cc1ccc(C#N)cc1C(=O)N[C@H](C)c1n[nH]c(C(C)C)n1 ZINC000935143972 649880004 /nfs/dbraw/zinc/88/00/04/649880004.db2.gz BXOWRPXFFAYKEB-LLVKDONJSA-N 0 1 297.362 2.599 20 30 CFEDMN Cc1cc([C@H](C#N)C(=O)[C@@H]2Cc3ccccc32)nc(C)n1 ZINC000744026465 574049936 /nfs/dbraw/zinc/04/99/36/574049936.db2.gz NOSAIMFKXPPMBK-CABCVRRESA-N 0 1 277.327 2.610 20 30 CFEDMN Cc1ccc([C@H](C)C(=O)[C@H](C#N)c2cc(C)nc(C)n2)o1 ZINC000744026223 574049970 /nfs/dbraw/zinc/04/99/70/574049970.db2.gz KXDORRKMLSGDHR-WCQYABFASA-N 0 1 283.331 2.975 20 30 CFEDMN CC(C)C[N@H+](CCC#N)Cc1ccc(F)cc1C(=O)[O-] ZINC000736438550 574053472 /nfs/dbraw/zinc/05/34/72/574053472.db2.gz UCQUTXJXTHNVDW-UHFFFAOYSA-N 0 1 278.327 2.896 20 30 CFEDMN CC(C)C[N@@H+](CCC#N)Cc1ccc(F)cc1C(=O)[O-] ZINC000736438550 574053475 /nfs/dbraw/zinc/05/34/75/574053475.db2.gz UCQUTXJXTHNVDW-UHFFFAOYSA-N 0 1 278.327 2.896 20 30 CFEDMN Cc1ccc2[nH]cc(C=NNC3=N[C@@H]4CCCC[C@H]4N3)c2c1 ZINC000753929078 574055577 /nfs/dbraw/zinc/05/55/77/574055577.db2.gz NSHLLHTWGIUPEO-HZPDHXFCSA-N 0 1 295.390 2.670 20 30 CFEDMN Fc1cc(C=NNC2=N[C@@H]3CCCC[C@@H]3N2)ccc1Cl ZINC000753937881 574056758 /nfs/dbraw/zinc/05/67/58/574056758.db2.gz HPEGEUUQVYCKQP-BETUJISGSA-N 0 1 294.761 2.673 20 30 CFEDMN Fc1cccc(Cl)c1C=NNC1=N[C@@H]2CCCC[C@H]2N1 ZINC000753939837 574057258 /nfs/dbraw/zinc/05/72/58/574057258.db2.gz RGFRQZLWKXWUQJ-CHWSQXEVSA-N 0 1 294.761 2.673 20 30 CFEDMN CCC[C@H](C)N(C)Cc1nc2ccccc2c(=O)n1CC#N ZINC000744388177 574072391 /nfs/dbraw/zinc/07/23/91/574072391.db2.gz NNBMKZVNLYKFAR-ZDUSSCGKSA-N 0 1 298.390 2.540 20 30 CFEDMN C#C[C@H](CC)NC(=O)c1cn[nH]c1-c1ccc(Cl)s1 ZINC000754371907 574091320 /nfs/dbraw/zinc/09/13/20/574091320.db2.gz UGZRPBOXEHNGKP-MRVPVSSYSA-N 0 1 293.779 2.933 20 30 CFEDMN C#CCOc1ccc(NC(=O)c2cccc3cn[nH]c32)cc1 ZINC000731012681 574107086 /nfs/dbraw/zinc/10/70/86/574107086.db2.gz VOROWOWIUDAQEX-UHFFFAOYSA-N 0 1 291.310 2.827 20 30 CFEDMN Cc1ncccc1C=NN=c1[nH]c2ccccc2[nH]1 ZINC000728778120 574108500 /nfs/dbraw/zinc/10/85/00/574108500.db2.gz PAZKMKQVNHOODZ-UHFFFAOYSA-N 0 1 251.293 2.712 20 30 CFEDMN CCc1ccc(C=NNc2ccc(-n3cccn3)nn2)s1 ZINC000731151670 574110872 /nfs/dbraw/zinc/11/08/72/574110872.db2.gz ONPRRRFSUNYXMJ-UHFFFAOYSA-N 0 1 298.375 2.732 20 30 CFEDMN Cc1ccc(NN=Cc2ccnc3ccccc23)nn1 ZINC000731316583 574116095 /nfs/dbraw/zinc/11/60/95/574116095.db2.gz CKYZAIMJGYETLN-UHFFFAOYSA-N 0 1 263.304 2.779 20 30 CFEDMN C=CCN(Cn1nccc1-c1ccncc1)C(C)C ZINC000731444938 574120658 /nfs/dbraw/zinc/12/06/58/574120658.db2.gz GMJKBQYRGZVANN-UHFFFAOYSA-N 0 1 256.353 2.799 20 30 CFEDMN C#CCN(CC(=O)N(C)[C@H]1CCCC[C@H]1C)C1CCCC1 ZINC000756911727 574133434 /nfs/dbraw/zinc/13/34/34/574133434.db2.gz DJZZBUVMANGHJP-WBVHZDCISA-N 0 1 290.451 2.901 20 30 CFEDMN Cc1cc(NN=Cc2cc3c(c(Cl)c2)OCO3)ncn1 ZINC000731935723 574136064 /nfs/dbraw/zinc/13/60/64/574136064.db2.gz NVNFFSIKEHLTAK-UHFFFAOYSA-N 0 1 290.710 2.613 20 30 CFEDMN C#C[C@H](NCc1ccc2nc(C)sc2c1)[C@@H]1CCCO1 ZINC000755208671 574146577 /nfs/dbraw/zinc/14/65/77/574146577.db2.gz BWSRMTMWYFYCQE-ZFWWWQNUSA-N 0 1 286.400 2.875 20 30 CFEDMN COc1ccc(CNCc2cnn(C(C)(C)C)c2)cc1C#N ZINC000746733119 574164796 /nfs/dbraw/zinc/16/47/96/574164796.db2.gz AJJUQVSHABXHND-UHFFFAOYSA-N 0 1 298.390 2.808 20 30 CFEDMN Cc1[nH]cnc1C=NN=c1ccc2ccccc2[nH]1 ZINC000755487098 574165496 /nfs/dbraw/zinc/16/54/96/574165496.db2.gz DLEORAKLAMNNLU-UHFFFAOYSA-N 0 1 251.293 2.712 20 30 CFEDMN C[C@@H]1CCCC[C@@H]1CC(=O)C(C#N)C(=O)Nc1ccccn1 ZINC000747020806 574175643 /nfs/dbraw/zinc/17/56/43/574175643.db2.gz JBNPBSKDNCLJGI-MCIONIFRSA-N 0 1 299.374 2.945 20 30 CFEDMN C(=NNCCN1CCCCC1)c1coc(-c2ccccc2)n1 ZINC000755657719 574175736 /nfs/dbraw/zinc/17/57/36/574175736.db2.gz QOJANOMJBPQCBV-UHFFFAOYSA-N 0 1 298.390 2.751 20 30 CFEDMN CCc1nn(C)c(CC)c1CN=Nc1ccc(C)cn1 ZINC000755688994 574178173 /nfs/dbraw/zinc/17/81/73/574178173.db2.gz IDJDCMNGUBAHDM-UHFFFAOYSA-N 0 1 271.368 2.694 20 30 CFEDMN Cc1cc(C=NNCCN2CCCCC2)ccc1F ZINC000729141789 574178856 /nfs/dbraw/zinc/17/88/56/574178856.db2.gz FYCVAIWHXNLREI-UHFFFAOYSA-N 0 1 263.360 2.544 20 30 CFEDMN CCN(CC)c1ccc(/C=N\CC(=O)OC(C)C)c(O)c1 ZINC000729150048 574179744 /nfs/dbraw/zinc/17/97/44/574179744.db2.gz QDOOLFRZJRLKFU-YVLHZVERSA-N 0 1 292.379 2.609 20 30 CFEDMN Cc1cc(N=NCc2c(O)cccc2Cl)ncn1 ZINC000755728922 574182154 /nfs/dbraw/zinc/18/21/54/574182154.db2.gz XXPHCHDHEVIONP-UHFFFAOYSA-N 0 1 262.700 2.590 20 30 CFEDMN CC[C@H](OC)C(=O)C(C#N)c1nc(C(C)C)cs1 ZINC000747199125 574186986 /nfs/dbraw/zinc/18/69/86/574186986.db2.gz PJFJXOMUGCUETG-KOLCDFICSA-N 0 1 266.366 2.868 20 30 CFEDMN C[C@@H]1CN(C2CC2)CC1N=Nc1ncccc1C(F)(F)F ZINC000755893540 574194720 /nfs/dbraw/zinc/19/47/20/574194720.db2.gz WAPBNHVLBFTXHA-SECBINFHSA-N 0 1 298.312 2.982 20 30 CFEDMN C[C@H]1CN(C2CC2)CC1N=Nc1cc(F)c(F)cc1F ZINC000755893857 574194784 /nfs/dbraw/zinc/19/47/84/574194784.db2.gz SFKIZRXYKZIPKV-QMMMGPOBSA-N 0 1 283.297 2.986 20 30 CFEDMN CCOC(=O)c1ccc(C=N[N-]c2cc(C)cc[nH+]2)o1 ZINC000755900957 574195493 /nfs/dbraw/zinc/19/54/93/574195493.db2.gz AMTCCOTZSLKEJR-UHFFFAOYSA-N 0 1 273.292 2.606 20 30 CFEDMN COc1cc(C=NNc2cc(C)ccn2)ccc1OCC#N ZINC000755900533 574195533 /nfs/dbraw/zinc/19/55/33/574195533.db2.gz LEDNVVATRGPJRY-UHFFFAOYSA-N 0 1 296.330 2.747 20 30 CFEDMN CC(=NNc1cc(C)ccn1)c1cc(O)ccc1O ZINC000755901367 574195732 /nfs/dbraw/zinc/19/57/32/574195732.db2.gz USIAOQKYRHKPLU-UHFFFAOYSA-N 0 1 257.293 2.637 20 30 CFEDMN COc1ccc(C=NNc2cc(C)ccn2)c(OC)c1 ZINC000755904589 574196005 /nfs/dbraw/zinc/19/60/05/574196005.db2.gz ZFYDVAAWZSGVNR-UHFFFAOYSA-N 0 1 271.320 2.853 20 30 CFEDMN Cc1cc(C)c(C=NN=c2cc[nH]c(N(C)C)n2)c(C)c1 ZINC000739418237 574212753 /nfs/dbraw/zinc/21/27/53/574212753.db2.gz KZXBANDGZSRCBH-UHFFFAOYSA-N 0 1 283.379 2.914 20 30 CFEDMN CC(=NN=c1cc[nH]c(N(C)C)n1)c1ccc(F)cc1C ZINC000739418449 574212963 /nfs/dbraw/zinc/21/29/63/574212963.db2.gz SWTUOCKGWQMGRJ-UHFFFAOYSA-N 0 1 287.342 2.826 20 30 CFEDMN Oc1cccc(C=NNc2cccc(C(F)(F)F)n2)c1O ZINC000739426458 574213250 /nfs/dbraw/zinc/21/32/50/574213250.db2.gz MIZNGVKDKIWRTN-UHFFFAOYSA-N 0 1 297.236 2.958 20 30 CFEDMN C=CCOc1ccc(CN=Nc2ccnc(N(C)C)n2)cc1 ZINC000739421469 574213390 /nfs/dbraw/zinc/21/33/90/574213390.db2.gz JJAYWQPHCLCYTL-UHFFFAOYSA-N 0 1 297.362 2.553 20 30 CFEDMN C#CCOc1ccc(CNCc2ccoc2C)cc1 ZINC000733325525 574221597 /nfs/dbraw/zinc/22/15/97/574221597.db2.gz QIVKVFQXTIGJDC-UHFFFAOYSA-N 0 1 255.317 2.890 20 30 CFEDMN C#CCN1CCC[C@H]1COC(=O)c1ccc(Cl)cc1 ZINC000729810364 574233086 /nfs/dbraw/zinc/23/30/86/574233086.db2.gz VUHRBIKPGWVZBT-AWEZNQCLSA-N 0 1 277.751 2.594 20 30 CFEDMN C#CCN1CCC[C@@H]1COC(=O)c1ccc(C)c(Cl)c1 ZINC000729811947 574233285 /nfs/dbraw/zinc/23/32/85/574233285.db2.gz HMJSHLRMLNWIAB-CQSZACIVSA-N 0 1 291.778 2.903 20 30 CFEDMN CC(=NNc1ccc(C)nn1)c1ccccc1[N+](=O)[O-] ZINC000729936751 574238977 /nfs/dbraw/zinc/23/89/77/574238977.db2.gz XAGJFPDKNPMNOO-UHFFFAOYSA-N 0 1 271.280 2.529 20 30 CFEDMN C#CCN1CCC[C@H]1COC(=O)[C@H](C)c1cccc(C)c1 ZINC000756542389 574244804 /nfs/dbraw/zinc/24/48/04/574244804.db2.gz LSFBEYPCNANXAY-WBVHZDCISA-N 0 1 285.387 2.739 20 30 CFEDMN C#CCN1CCC[C@@H]1COC(=O)c1cccc(C(F)F)c1 ZINC000756542204 574245009 /nfs/dbraw/zinc/24/50/09/574245009.db2.gz GGABIUCKGXYYIX-CQSZACIVSA-N 0 1 293.313 2.879 20 30 CFEDMN C#CCN1CCC[C@H]1COC(=O)c1ccccc1OCC=C ZINC000756543378 574245017 /nfs/dbraw/zinc/24/50/17/574245017.db2.gz QMTNAFPZUROOLC-HNNXBMFYSA-N 0 1 299.370 2.506 20 30 CFEDMN C#CCN1CCC[C@@H]1COC(=O)C1CCCCCC1 ZINC000756542312 574245078 /nfs/dbraw/zinc/24/50/78/574245078.db2.gz HBFQXSFTNBAPBR-OAHLLOKOSA-N 0 1 263.381 2.598 20 30 CFEDMN N#CCCCC[N@@H+]1CCC[C@H]([C@H]2CCCN2C(=O)[O-])C1 ZINC000740306357 574245964 /nfs/dbraw/zinc/24/59/64/574245964.db2.gz FJRKLLWQWPMVHW-UONOGXRCSA-N 0 1 279.384 2.535 20 30 CFEDMN COc1ccc(C(=O)Nc2cc(C#N)ccc2O)c(C)c1 ZINC000748410466 574251593 /nfs/dbraw/zinc/25/15/93/574251593.db2.gz NDWIKRWMYUYHPQ-UHFFFAOYSA-N 0 1 282.299 2.833 20 30 CFEDMN CC(=NNCCN1CCCCC1)c1sccc1C ZINC000733747169 574254871 /nfs/dbraw/zinc/25/48/71/574254871.db2.gz KSPXDWCUHAYHRP-UHFFFAOYSA-N 0 1 265.426 2.856 20 30 CFEDMN CC(N=Nc1cnnc2ccccc12)c1ccncc1 ZINC000733750122 574255229 /nfs/dbraw/zinc/25/52/29/574255229.db2.gz MTZBYKONWNQJSW-UHFFFAOYSA-N 0 1 263.304 2.861 20 30 CFEDMN Clc1cnccc1N=NCc1ccc2c(c1)CCO2 ZINC000756842376 574267263 /nfs/dbraw/zinc/26/72/63/574267263.db2.gz OWSOYMMFSOAPAX-UHFFFAOYSA-N 0 1 273.723 2.538 20 30 CFEDMN C#CCOc1ccccc1CN=Nc1ccncc1Cl ZINC000756842960 574267288 /nfs/dbraw/zinc/26/72/88/574267288.db2.gz ZOYQYDHLSOFQFT-UHFFFAOYSA-N 0 1 285.734 2.615 20 30 CFEDMN CC(N=Nc1ccncc1Cl)c1ccc(C#N)cc1 ZINC000756842015 574267366 /nfs/dbraw/zinc/26/73/66/574267366.db2.gz IEXNLCOGPBKRSG-UHFFFAOYSA-N 0 1 270.723 2.865 20 30 CFEDMN C=CCOCC(=O)C(C#N)c1nc(-c2ccncc2)cs1 ZINC000734083292 574272648 /nfs/dbraw/zinc/27/26/48/574272648.db2.gz LRANFSXVZFPCHF-LBPRGKRZSA-N 0 1 299.355 2.584 20 30 CFEDMN C#CCN(Cc1cc([N+](=O)[O-])ccc1OC)C1CCCC1 ZINC000756911877 574272708 /nfs/dbraw/zinc/27/27/08/574272708.db2.gz JCTWRNTWWNAFKH-UHFFFAOYSA-N 0 1 288.347 2.981 20 30 CFEDMN C[C@H](C(=O)OCc1ccccc1C#N)N1[C@H](C)CC[C@@H]1C ZINC000741019264 574278396 /nfs/dbraw/zinc/27/83/96/574278396.db2.gz VMFQLIZTTINTDR-HZSPNIEDSA-N 0 1 286.375 2.863 20 30 CFEDMN CC[C@@H](C(=O)OCc1cc(C#N)ccc1F)N(CC)CC ZINC000741033609 574278725 /nfs/dbraw/zinc/27/87/25/574278725.db2.gz WFHIULNJUOJGIS-HNNXBMFYSA-N 0 1 292.354 2.861 20 30 CFEDMN C[C@@H]1C[N@@H+](Cc2ccccn2)CCC1=NNC1CCCC1 ZINC000734365878 574283937 /nfs/dbraw/zinc/28/39/37/574283937.db2.gz WHLFMLNLRAZMKT-CQSZACIVSA-N 0 1 286.423 2.812 20 30 CFEDMN C[C@@H]1CN(Cc2ccccn2)CCC1=NNC1CCCC1 ZINC000734365878 574283939 /nfs/dbraw/zinc/28/39/39/574283939.db2.gz WHLFMLNLRAZMKT-CQSZACIVSA-N 0 1 286.423 2.812 20 30 CFEDMN CCCCCCCCC(=O)NC(C)(C)c1c[nH]nn1 ZINC000734566858 574293739 /nfs/dbraw/zinc/29/37/39/574293739.db2.gz CIUOFFGIYRYZMY-UHFFFAOYSA-N 0 1 266.389 2.907 20 30 CFEDMN Fc1ccc(NN=Cc2cnc3[nH]cccc2-3)nc1 ZINC000741763689 574301439 /nfs/dbraw/zinc/30/14/39/574301439.db2.gz WLUAKGDANAIXSA-UHFFFAOYSA-N 0 1 255.256 2.543 20 30 CFEDMN Cc1nc(Cl)cc(NN=Cc2cnn3ccccc23)n1 ZINC000741765225 574301526 /nfs/dbraw/zinc/30/15/26/574301526.db2.gz AMACSNAGOMRTQW-UHFFFAOYSA-N 0 1 286.726 2.532 20 30 CFEDMN Cc1nn(C)c(Cl)c1C=NNc1cc(Cl)nc(C)n1 ZINC000741766380 574301942 /nfs/dbraw/zinc/30/19/42/574301942.db2.gz KVVXYVSIXIMVGD-UHFFFAOYSA-N 0 1 299.165 2.580 20 30 CFEDMN CC#CCN1CCCC[C@@H]1[C@H](C)NC(=O)OC(C)(C)C ZINC000741777859 574302693 /nfs/dbraw/zinc/30/26/93/574302693.db2.gz MLRNOAJZVPTCJR-UONOGXRCSA-N 0 1 280.412 2.777 20 30 CFEDMN Oc1c(F)cc(C=NNc2ccc(F)cn2)cc1F ZINC000749859745 574313097 /nfs/dbraw/zinc/31/30/97/574313097.db2.gz SUIAKDFVRQDRSX-UHFFFAOYSA-N 0 1 267.210 2.651 20 30 CFEDMN CC[C@H](NC(=O)CCc1cnc[nH]1)C1CCOCC1 ZINC000329297792 574313595 /nfs/dbraw/zinc/31/35/95/574313595.db2.gz UEWUUSITXJICKH-ZDUSSCGKSA-N 0 1 265.357 2.504 20 30 CFEDMN CCCCCC[C@H](C)C(=O)NC1(C#N)CCN(C)CC1 ZINC000742066964 574314710 /nfs/dbraw/zinc/31/47/10/574314710.db2.gz BMZVDGZXSBDRRE-AWEZNQCLSA-N 0 1 279.428 2.697 20 30 CFEDMN C=CCCCN(C)CN1C(=O)[C@@H]2CCCCC[C@H]21 ZINC000749953065 574317871 /nfs/dbraw/zinc/31/78/71/574317871.db2.gz AWXRQFPGCMMZND-ZIAGYGMSSA-N 0 1 250.386 2.633 20 30 CFEDMN CCn1ccnc1C=NNc1ccc([N+](=O)[O-])cc1Cl ZINC000755689578 574318658 /nfs/dbraw/zinc/31/86/58/574318658.db2.gz QTGQOUNJYMQLGX-UHFFFAOYSA-N 0 1 293.714 2.911 20 30 CFEDMN COc1ccc(CNCC#Cc2ccccc2)cc1C#N ZINC000742371841 574325073 /nfs/dbraw/zinc/32/50/73/574325073.db2.gz GZCJFIWTLSOWMX-UHFFFAOYSA-N 0 1 276.339 2.708 20 30 CFEDMN C[C@@H](c1ccc(C#N)cc1)[N@H+]1CC[C@@H](CN(C)C(=O)[O-])C1 ZINC000739054350 574333298 /nfs/dbraw/zinc/33/32/98/574333298.db2.gz QLLGCKYCUSSKOO-JSGCOSHPSA-N 0 1 287.363 2.551 20 30 CFEDMN Brc1cc(C=NNc2cccnn2)cs1 ZINC000735976121 574346320 /nfs/dbraw/zinc/34/63/20/574346320.db2.gz CLEZNXNZFDLGNX-UHFFFAOYSA-N 0 1 283.154 2.747 20 30 CFEDMN C[C@H](C(=O)C(C#N)C(=O)Nc1ccccn1)C1CCCC1 ZINC000750691262 574350949 /nfs/dbraw/zinc/35/09/49/574350949.db2.gz YKVHIRIEXPBALJ-AAEUAGOBSA-N 0 1 285.347 2.555 20 30 CFEDMN C[C@H](C(=O)C(C#N)c1nc2ccccc2o1)c1cnn(C)c1 ZINC000750689286 574351026 /nfs/dbraw/zinc/35/10/26/574351026.db2.gz HRFVXBAQCSVOPK-JQWIXIFHSA-N 0 1 294.314 2.541 20 30 CFEDMN C=CCOc1ccccc1C[NH2+]Cc1ccc(C(=O)[O-])o1 ZINC000736114502 574351666 /nfs/dbraw/zinc/35/16/66/574351666.db2.gz URLGHOHWSZKGJJ-UHFFFAOYSA-N 0 1 287.315 2.832 20 30 CFEDMN Cc1ccnc(N=NC(C)c2cnc(C)nc2C)c1 ZINC000755900798 574363926 /nfs/dbraw/zinc/36/39/26/574363926.db2.gz PDJOVJRHXVICJK-UHFFFAOYSA-N 0 1 255.325 2.633 20 30 CFEDMN COc1cc(CN=Nc2cccc(F)c2F)cc(O)c1O ZINC000743443373 574364763 /nfs/dbraw/zinc/36/47/63/574364763.db2.gz XBFYQMNCJBQGMK-UHFFFAOYSA-N 0 1 294.257 2.831 20 30 CFEDMN CO[C@@H](CN[C@@H](C)c1ccc(C#N)cc1)C(F)(F)F ZINC000743477354 574366020 /nfs/dbraw/zinc/36/60/20/574366020.db2.gz QSCLTJQKIOCVBX-CABZTGNLSA-N 0 1 272.270 2.786 20 30 CFEDMN O=[N+]([O-])c1ccc(O)cc1C=NN=c1[nH]c2ccccc2[nH]1 ZINC000751131922 574369944 /nfs/dbraw/zinc/36/99/44/574369944.db2.gz VITRDEJCNYPUJY-UHFFFAOYSA-N 0 1 297.274 2.623 20 30 CFEDMN C[C@@H]1CN(C)CC1N=Nc1cccc(Cl)c1F ZINC000752165307 574388771 /nfs/dbraw/zinc/38/87/71/574388771.db2.gz VJCGOAAAKHRRFY-MRVPVSSYSA-N 0 1 255.724 2.829 20 30 CFEDMN Cc1cc(N)cc(C)c1C=NNCc1ccc(C#N)cc1 ZINC000752733817 574394240 /nfs/dbraw/zinc/39/42/40/574394240.db2.gz GTHGPZLZPDASTB-UHFFFAOYSA-N 0 1 278.359 2.881 20 30 CFEDMN O=C([O-])C[C@H]1CCC[N@@H+](CC#Cc2ccc(Cl)cc2)C1 ZINC000819375616 597082734 /nfs/dbraw/zinc/08/27/34/597082734.db2.gz RUXUOEKAQCUBBF-CQSZACIVSA-N 0 1 291.778 2.878 20 30 CFEDMN N#CCC[N@@H+](Cc1cccc(C(=O)[O-])c1)CC1CC1 ZINC000821324463 598211425 /nfs/dbraw/zinc/21/14/25/598211425.db2.gz FWBQTGAFBCKWRY-UHFFFAOYSA-N 0 1 258.321 2.510 20 30 CFEDMN N#CCC[N@H+](Cc1cccc(C(=O)[O-])c1)CC1CC1 ZINC000821324463 598211426 /nfs/dbraw/zinc/21/14/26/598211426.db2.gz FWBQTGAFBCKWRY-UHFFFAOYSA-N 0 1 258.321 2.510 20 30 CFEDMN C=C[C@H](CC)CC(=O)N[C@@H](Cc1nc[nH]n1)c1ccccc1 ZINC000935481010 649911922 /nfs/dbraw/zinc/91/19/22/649911922.db2.gz VLHNKISAIPXJAG-HIFRSBDPSA-N 0 1 298.390 2.807 20 30 CFEDMN C[N@@H+](Cc1cccc(O)c1)[C@@H](C(=O)[O-])c1ccc(C#N)cc1 ZINC000830851540 601169486 /nfs/dbraw/zinc/16/94/86/601169486.db2.gz CJCNDWGRAYBZLU-MRXNPFEDSA-N 0 1 296.326 2.522 20 30 CFEDMN C[N@@H+](Cc1cccc(O)c1)[C@H](C(=O)[O-])c1ccc(C#N)cc1 ZINC000830851539 601169733 /nfs/dbraw/zinc/16/97/33/601169733.db2.gz CJCNDWGRAYBZLU-INIZCTEOSA-N 0 1 296.326 2.522 20 30 CFEDMN C[N@@H+](CC1CCCC1)[C@@H](C(=O)[O-])c1cccc(C#N)c1 ZINC000830714728 601312593 /nfs/dbraw/zinc/31/25/93/601312593.db2.gz XFRZUYPVHWGPPU-OAHLLOKOSA-N 0 1 272.348 2.806 20 30 CFEDMN CC1(C)CCC[N@H+]([C@H](C(=O)[O-])c2cccc(C#N)c2)C1 ZINC000828065281 601317219 /nfs/dbraw/zinc/31/72/19/601317219.db2.gz WVWMLUSYNQQIHF-AWEZNQCLSA-N 0 1 272.348 2.806 20 30 CFEDMN C=CC[N@H+](Cc1cc(C(=O)[O-])oc1CC)C(C)C ZINC000825682155 601413039 /nfs/dbraw/zinc/41/30/39/601413039.db2.gz QADQBYVCEZKRRA-UHFFFAOYSA-N 0 1 251.326 2.937 20 30 CFEDMN C[C@@H](C[N@@H+](C)CC#Cc1ccc(C(F)(F)F)cc1)C(=O)[O-] ZINC000827443031 601419273 /nfs/dbraw/zinc/41/92/73/601419273.db2.gz VWIQKHKWUQYTNM-NSHDSACASA-N 0 1 299.292 2.709 20 30 CFEDMN C[C@H](C[N@@H+](CC#Cc1ccc(Cl)cc1)C1CC1)C(=O)[O-] ZINC000827450109 601446877 /nfs/dbraw/zinc/44/68/77/601446877.db2.gz RUFZRLJQSVFKFF-GFCCVEGCSA-N 0 1 291.778 2.877 20 30 CFEDMN C[C@H](c1ccc(C#N)cc1)[N@H+]1CCSC[C@H]1CC(=O)[O-] ZINC000251780792 601919419 /nfs/dbraw/zinc/91/94/19/601919419.db2.gz SQFYXHJWFPZAFZ-BXUZGUMPSA-N 0 1 290.388 2.511 20 30 CFEDMN C[N@H+](Cc1cc(F)ccc1C#N)[C@@H](C(=O)[O-])c1ccccc1 ZINC000830806952 602327363 /nfs/dbraw/zinc/32/73/63/602327363.db2.gz ZMCKJVFWMJHVFS-MRXNPFEDSA-N 0 1 298.317 2.955 20 30 CFEDMN C[N@@H+](Cc1cc(F)ccc1C#N)[C@@H](C(=O)[O-])c1ccccc1 ZINC000830806952 602327366 /nfs/dbraw/zinc/32/73/66/602327366.db2.gz ZMCKJVFWMJHVFS-MRXNPFEDSA-N 0 1 298.317 2.955 20 30 CFEDMN C[N@@H+](Cc1ccccc1C#N)C1CCC(NC(=O)[O-])CC1 ZINC000828386999 603783946 /nfs/dbraw/zinc/78/39/46/603783946.db2.gz FBIWLGOFDAGHHP-UHFFFAOYSA-N 0 1 287.363 2.569 20 30 CFEDMN C=C1CCC(C(=O)Nc2nc(-c3ccncc3)n[nH]2)CC1 ZINC000900416673 620672822 /nfs/dbraw/zinc/67/28/22/620672822.db2.gz CDXZJVMKUKZYMC-UHFFFAOYSA-N 0 1 283.335 2.552 20 30 CFEDMN C=CCOc1ccc(C[N@@H+](CC)CCC(=O)[O-])cc1 ZINC000833377671 604596335 /nfs/dbraw/zinc/59/63/35/604596335.db2.gz HYUYZJGBEKNHDC-UHFFFAOYSA-N 0 1 263.337 2.548 20 30 CFEDMN C[C@@H]1C[NH+](Cc2cccc(C(=O)[O-])c2C#N)C[C@@H](C)S1 ZINC000833629700 604610369 /nfs/dbraw/zinc/61/03/69/604610369.db2.gz LLRQKJOELIZHLI-GHMZBOCLSA-N 0 1 290.388 2.582 20 30 CFEDMN CC(C)C[N@@H+](CCC(=O)[O-])Cc1cccc(C#N)c1F ZINC000833486214 604617304 /nfs/dbraw/zinc/61/73/04/604617304.db2.gz CGIBXLUXDIGOIT-UHFFFAOYSA-N 0 1 278.327 2.630 20 30 CFEDMN C[C@H]1C[N@@H+](Cc2ccccc2C(C)(C)C#N)C[C@H]1C(=O)[O-] ZINC000828464323 604675081 /nfs/dbraw/zinc/67/50/81/604675081.db2.gz UCEGNDPDIBUNKL-GXTWGEPZSA-N 0 1 286.375 2.640 20 30 CFEDMN C=C(C)C[N@H+](CC)Cc1cc(C(=O)[O-])cc(C(=O)OC)c1 ZINC000833369191 605199552 /nfs/dbraw/zinc/19/95/52/605199552.db2.gz JEMOPXGQDHEPIL-UHFFFAOYSA-N 0 1 291.347 2.569 20 30 CFEDMN C=C(C)CN1CCC[C@H](NC(=O)[C@@H](C)C2CCCC2)C1 ZINC001009150124 651156855 /nfs/dbraw/zinc/15/68/55/651156855.db2.gz BIPXYIOOFZOKQD-HOCLYGCPSA-N 0 1 278.440 2.969 20 30 CFEDMN C#CCC[N@H+](C)[C@H](C(=O)[O-])c1cccc(Br)c1 ZINC000833362142 605211817 /nfs/dbraw/zinc/21/18/17/605211817.db2.gz ASRWVDZJVCKZKQ-LBPRGKRZSA-N 0 1 296.164 2.530 20 30 CFEDMN CC(C)(C#N)CC[N@@H+](CCc1ccccc1)CC(=O)[O-] ZINC000833408530 605245885 /nfs/dbraw/zinc/24/58/85/605245885.db2.gz UCCPAORDELMVKX-UHFFFAOYSA-N 0 1 274.364 2.556 20 30 CFEDMN C#CCCN1CCC[C@@H](NC(=O)c2ccc(Cl)s2)C1 ZINC001009419251 651160774 /nfs/dbraw/zinc/16/07/74/651160774.db2.gz SKEHUFFPNBNSIH-LLVKDONJSA-N 0 1 296.823 2.619 20 30 CFEDMN C=C(C)C[N@H+](C)Cc1ccc(O[C@@H](C)C(=O)[O-])cc1 ZINC000833368884 605490105 /nfs/dbraw/zinc/49/01/05/605490105.db2.gz WPHQALMSJFDITD-LBPRGKRZSA-N 0 1 263.337 2.546 20 30 CFEDMN C#Cc1cccc(N(C)C(=O)[C@H]2C[C@@H](C)Cc3cn[nH]c32)c1 ZINC000900563294 620688715 /nfs/dbraw/zinc/68/87/15/620688715.db2.gz RWLWVJZHIFYIQF-LRDDRELGSA-N 0 1 293.370 2.720 20 30 CFEDMN C=CCCN1CCC[C@@H](NC(=O)c2ccc(F)s2)C1 ZINC001009704932 651164002 /nfs/dbraw/zinc/16/40/02/651164002.db2.gz YKEHJSLVORVSER-LLVKDONJSA-N 0 1 282.384 2.658 20 30 CFEDMN CCC[C@@H](C)C(CC)N=Nc1oc(C)nc1-c1nn[nH]n1 ZINC000821014078 606237456 /nfs/dbraw/zinc/23/74/56/606237456.db2.gz BNXPPKCATBTHQW-MRVPVSSYSA-N 0 1 291.359 2.777 20 30 CFEDMN CCCCCN=Nc1oc(C(C)(C)C)nc1-c1nn[nH]n1 ZINC000825266728 607887572 /nfs/dbraw/zinc/88/75/72/607887572.db2.gz GZQNFXISQWZTAX-UHFFFAOYSA-N 0 1 291.359 2.740 20 30 CFEDMN C=C(Cl)CN[C@@H]1CCN(C(=O)C(C)(C)C(=C)Cl)C1 ZINC000968795023 613384401 /nfs/dbraw/zinc/38/44/01/613384401.db2.gz BUCRSKSQPCMJMF-LLVKDONJSA-N 0 1 291.222 2.708 20 30 CFEDMN C#CCCN1CC[C@H](C)[C@@H](NC(=O)c2sccc2C)C1 ZINC000964683152 613023803 /nfs/dbraw/zinc/02/38/03/613023803.db2.gz HSEMBVAQTBXVPC-JSGCOSHPSA-N 0 1 290.432 2.520 20 30 CFEDMN C#CCN1CCCCC[C@@H]1CNC(=O)[C@@H]1CCCC1(C)C ZINC000968990909 613146109 /nfs/dbraw/zinc/14/61/09/613146109.db2.gz QYPWNOMWRKBADS-CVEARBPZSA-N 0 1 290.451 2.807 20 30 CFEDMN C#CCN1CCCCC[C@@H]1CNC(=O)c1cc(C)oc1C ZINC000968750740 613146722 /nfs/dbraw/zinc/14/67/22/613146722.db2.gz SISYGFJSWYKFQF-OAHLLOKOSA-N 0 1 288.391 2.504 20 30 CFEDMN C#CCN1CCCCC[C@H]1CNC(=O)[C@H]1CC12CCCC2 ZINC000969103142 613148205 /nfs/dbraw/zinc/14/82/05/613148205.db2.gz BMQZOVUIEMLLMA-JKSUJKDBSA-N 0 1 288.435 2.561 20 30 CFEDMN C#CCN1CCCCC[C@H]1CNC(=O)c1cscc1C ZINC000968804445 613150134 /nfs/dbraw/zinc/15/01/34/613150134.db2.gz URAFCUCOOWJXPB-AWEZNQCLSA-N 0 1 290.432 2.664 20 30 CFEDMN C#CCN1CCCCC[C@H]1CNC(=O)c1sccc1C ZINC000968715668 613150195 /nfs/dbraw/zinc/15/01/95/613150195.db2.gz BYRVIPWICSRXNG-AWEZNQCLSA-N 0 1 290.432 2.664 20 30 CFEDMN C#CCN1CC[C@@H](NC(=O)C[C@@H]2CC=CCC2)C(C)(C)C1 ZINC000940950344 613225387 /nfs/dbraw/zinc/22/53/87/613225387.db2.gz KMLWCKPFZVSAQQ-HZPDHXFCSA-N 0 1 288.435 2.583 20 30 CFEDMN C#CCN1CC[C@@H](NC(=O)c2ccsc2Cl)C[C@@H]1C ZINC000947778695 613240053 /nfs/dbraw/zinc/24/00/53/613240053.db2.gz IFAJZVPGSIJWNX-WDEREUQCSA-N 0 1 296.823 2.617 20 30 CFEDMN C=C(C)CCN1CCN(C(=O)C2(C(F)F)CCC2)CC1 ZINC000949827415 613256759 /nfs/dbraw/zinc/25/67/59/613256759.db2.gz CHLUOOHQMMMWHX-UHFFFAOYSA-N 0 1 286.366 2.532 20 30 CFEDMN C=C(C)CCN1CCN(C(=O)[C@@H]2CC[C@@H]3C[C@@H]3C2)CC1 ZINC000948983851 613259286 /nfs/dbraw/zinc/25/92/86/613259286.db2.gz MYZSNNBYONLNSU-BZUAXINKSA-N 0 1 276.424 2.533 20 30 CFEDMN C=C(C)CCN1CCN(C(=O)[C@H](C)C2CCCC2)CC1 ZINC000957283983 613259875 /nfs/dbraw/zinc/25/98/75/613259875.db2.gz HSIJRVQQZSQPMJ-OAHLLOKOSA-N 0 1 278.440 2.923 20 30 CFEDMN C=C(C)CCN1CCN(C(=O)[C@H]2CCCC[C@H]2C)CC1 ZINC000949929985 613260291 /nfs/dbraw/zinc/26/02/91/613260291.db2.gz GQKJTUCATFBHMF-CVEARBPZSA-N 0 1 278.440 2.923 20 30 CFEDMN C=C(C)CCN1CCN(C(=O)c2[nH]ccc2C2CC2)CC1 ZINC000948694997 613260819 /nfs/dbraw/zinc/26/08/19/613260819.db2.gz ZCQCXHWSLJAWLZ-UHFFFAOYSA-N 0 1 287.407 2.616 20 30 CFEDMN C#CCN1CC[C@H](NC(=O)[C@@]2(C)CC=CCC2)C(C)(C)C1 ZINC000940763516 613262669 /nfs/dbraw/zinc/26/26/69/613262669.db2.gz GKSPAYKCPICOEM-YJBOKZPZSA-N 0 1 288.435 2.583 20 30 CFEDMN C#CCN1CC[C@H](NC(=O)[C@H]2CCC(C)(C)C2)C(C)(C)C1 ZINC000941008416 613263445 /nfs/dbraw/zinc/26/34/45/613263445.db2.gz PKKUBFNLLJTWAS-GJZGRUSLSA-N 0 1 290.451 2.663 20 30 CFEDMN C#CCN1CC[C@H](NC(=O)c2c(C)cccc2C)C(C)(C)C1 ZINC000941052563 613264458 /nfs/dbraw/zinc/26/44/58/613264458.db2.gz RJUOOENLEPGQHE-INIZCTEOSA-N 0 1 298.430 2.767 20 30 CFEDMN C#CCN1CC[C@H](NC(=O)c2ccoc2C(C)C)C[C@@H]1C ZINC000948072706 613273080 /nfs/dbraw/zinc/27/30/80/613273080.db2.gz BIHYNRAXUDOVFP-KBPBESRZSA-N 0 1 288.391 2.619 20 30 CFEDMN C#CCN1CC[C@H](NC(=O)c2sccc2Cl)C[C@H]1C ZINC000947327834 613278975 /nfs/dbraw/zinc/27/89/75/613278975.db2.gz JUJHKGDXBCGPQU-MNOVXSKESA-N 0 1 296.823 2.617 20 30 CFEDMN C#CCN1CC[C@H](NC(=O)c2sc(C)cc2C)C[C@@H]1C ZINC000947351973 613279049 /nfs/dbraw/zinc/27/90/49/613279049.db2.gz IDJMVXUDSCCEBY-JSGCOSHPSA-N 0 1 290.432 2.581 20 30 CFEDMN C#CCN1C[C@@H](NC(=O)[C@H](C)c2ccccc2C)C(C)(C)C1 ZINC000977608826 613282212 /nfs/dbraw/zinc/28/22/12/613282212.db2.gz ADKUVNBGYWFJAF-NVXWUHKLSA-N 0 1 298.430 2.558 20 30 CFEDMN C#CCN1C[C@H](NC(=O)[C@@H]2C[C@H]2CC(C)(C)C)C(C)(C)C1 ZINC000974586404 613298502 /nfs/dbraw/zinc/29/85/02/613298502.db2.gz FAKIPIBCQLIIJK-ZNMIVQPWSA-N 0 1 290.451 2.519 20 30 CFEDMN C=C(C)CN1CC([C@H](C)NC(=O)c2coc(C(F)F)c2)C1 ZINC000970335132 613303815 /nfs/dbraw/zinc/30/38/15/613303815.db2.gz KULXEJYFXLGRJJ-JTQLQIEISA-N 0 1 298.333 2.843 20 30 CFEDMN C=C(C)CN1CCCCC[C@@H]1CNC(=O)c1cncs1 ZINC000968773719 613306915 /nfs/dbraw/zinc/30/69/15/613306915.db2.gz FATQMZZDDQOORL-CYBMUJFWSA-N 0 1 293.436 2.694 20 30 CFEDMN C=C(C)CN1CCCN(C(=O)c2cccnc2C2CC2)CC1 ZINC000981546198 613312542 /nfs/dbraw/zinc/31/25/42/613312542.db2.gz PBGWGZYGHLAUEE-UHFFFAOYSA-N 0 1 299.418 2.683 20 30 CFEDMN C=C(C)CN1CCCN(C(=O)c2cccc(F)c2C)CC1 ZINC000981215016 613312835 /nfs/dbraw/zinc/31/28/35/613312835.db2.gz OSSDIAMIXMHTNP-UHFFFAOYSA-N 0 1 290.382 2.858 20 30 CFEDMN C=C(C)CN1CC[C@@H](C)[C@H](NC(=O)C2(F)CCCC2)C1 ZINC000967033429 613325586 /nfs/dbraw/zinc/32/55/86/613325586.db2.gz OYJKMKMEJVRJSI-ZIAGYGMSSA-N 0 1 282.403 2.671 20 30 CFEDMN C=C(C)CN1CC[C@H](C)[C@H](NC(=O)c2ccoc2C)C1 ZINC000964936114 613334169 /nfs/dbraw/zinc/33/41/69/613334169.db2.gz NEXIZSNXBJNNSM-SWLSCSKDSA-N 0 1 276.380 2.604 20 30 CFEDMN C=C(C)CN1CCc2ccccc2[C@H]1CNC(=O)[C@@H]1C[C@H]1C ZINC000948951032 613337572 /nfs/dbraw/zinc/33/75/72/613337572.db2.gz RGBKIZQXQPZKIB-ZTFGCOKTSA-N 0 1 298.430 2.934 20 30 CFEDMN C=C(Cl)CN1CCC[C@H](N(C)C(=O)[C@@H]2CC23CC3)CC1 ZINC000948810051 613374323 /nfs/dbraw/zinc/37/43/23/613374323.db2.gz YVMRGJITZGMQIV-KBPBESRZSA-N 0 1 296.842 2.852 20 30 CFEDMN C=C(Cl)CN[C@@H]1CCN(C(=O)C2(CC)CCC2)C1 ZINC000969626964 613384391 /nfs/dbraw/zinc/38/43/91/613384391.db2.gz LAZUNYQOWXFHLM-GFCCVEGCSA-N 0 1 270.804 2.510 20 30 CFEDMN C=C(Cl)CN[C@@H]1CCN(C(=O)CC2=CCCCC2)C1 ZINC000967751408 613384568 /nfs/dbraw/zinc/38/45/68/613384568.db2.gz UCTKESHPOXTSQN-CQSZACIVSA-N 0 1 282.815 2.820 20 30 CFEDMN C=C(Cl)CN[C@@H]1CCN(C(=O)CCc2cccs2)C1 ZINC000970681387 613384617 /nfs/dbraw/zinc/38/46/17/613384617.db2.gz HSOVMTPQNRGYOK-GFCCVEGCSA-N 0 1 298.839 2.624 20 30 CFEDMN C=C(Cl)CN[C@@H]1CCN(C(=O)[C@H](C)C2CCCC2)C1 ZINC000970451703 613385148 /nfs/dbraw/zinc/38/51/48/613385148.db2.gz STBXNTQLMLWOHI-TZMCWYRMSA-N 0 1 284.831 2.756 20 30 CFEDMN C=C(Cl)CN[C@@H]1CCN(C(=O)c2oc(CC)cc2C)C1 ZINC000970487811 613386139 /nfs/dbraw/zinc/38/61/39/613386139.db2.gz OSHDETKNAPLVAW-GFCCVEGCSA-N 0 1 296.798 2.707 20 30 CFEDMN C=C1CC(C)(C(=O)N(C)[C@@H]2CCCN(CCF)CC2)C1 ZINC000948753196 613392944 /nfs/dbraw/zinc/39/29/44/613392944.db2.gz GWOIINLBWVMFRJ-CQSZACIVSA-N 0 1 282.403 2.625 20 30 CFEDMN C=C[C@H](C(=O)N1CCN(CCC2CC2)CC1)c1ccccc1 ZINC000957744123 613481775 /nfs/dbraw/zinc/48/17/75/613481775.db2.gz KZWQGVUOXFEYKE-SFHVURJKSA-N 0 1 298.430 2.901 20 30 CFEDMN C=CCCN1CCN(C(=O)[C@@H](C)c2ccc(C)cc2)CC1 ZINC000957371079 613505210 /nfs/dbraw/zinc/50/52/10/613505210.db2.gz ZAQOTIVJUNQDBH-INIZCTEOSA-N 0 1 286.419 2.819 20 30 CFEDMN C=CCCN1CCN(C(=O)[C@@H](C)c2ccsc2)CC1 ZINC000950457773 613505263 /nfs/dbraw/zinc/50/52/63/613505263.db2.gz SLGAEUABQRJEMT-ZDUSSCGKSA-N 0 1 278.421 2.572 20 30 CFEDMN C=CCCN1CCN(C(=O)c2ccc(C)c3c2CCC3)CC1 ZINC000957812608 613510180 /nfs/dbraw/zinc/51/01/80/613510180.db2.gz XJNJWXPGLDNJIB-UHFFFAOYSA-N 0 1 298.430 2.818 20 30 CFEDMN C=CCCN1CCN(C(=O)c2ccc(F)c(Cl)c2)CC1 ZINC000949941345 613510413 /nfs/dbraw/zinc/51/04/13/613510413.db2.gz WAAWEDBEXRWHND-UHFFFAOYSA-N 0 1 296.773 2.813 20 30 CFEDMN C=CCCN1CCN(C(=O)c2cncc3ccccc32)CC1 ZINC000957766077 613512517 /nfs/dbraw/zinc/51/25/17/613512517.db2.gz ZTARPSJJPICCFW-UHFFFAOYSA-N 0 1 295.386 2.569 20 30 CFEDMN C=CCCN1CCN(C(=O)c2coc3ccccc23)CC1 ZINC000957908853 613512633 /nfs/dbraw/zinc/51/26/33/613512633.db2.gz RQAIVWNWSRGSLE-UHFFFAOYSA-N 0 1 284.359 2.767 20 30 CFEDMN CC#CCN1CC([C@H](C)NC(=O)[C@H]2CCC(C)=C(C)C2)C1 ZINC000969735834 613536944 /nfs/dbraw/zinc/53/69/44/613536944.db2.gz WSXMVUUBUDQXNS-HOTGVXAUSA-N 0 1 288.435 2.583 20 30 CFEDMN CC#CCN1CCCC2(CN(C(=O)CCC3CCC3)C2)C1 ZINC000981697682 613542401 /nfs/dbraw/zinc/54/24/01/613542401.db2.gz DOANZLMLXVWHJX-UHFFFAOYSA-N 0 1 288.435 2.514 20 30 CFEDMN CC#CCN1CC[C@@H](C)[C@@H](NC(=O)c2ccc(CC)cc2)C1 ZINC000968606304 613572812 /nfs/dbraw/zinc/57/28/12/613572812.db2.gz GQYWLBHANYYQCQ-QAPCUYQASA-N 0 1 298.430 2.713 20 30 CFEDMN CC#CCN1CC[C@@H](C)[C@H](NC(=O)C(C)(C)C2CCC2)C1 ZINC000967492527 613574412 /nfs/dbraw/zinc/57/44/12/613574412.db2.gz CMCUCAFAAZIIQY-GDBMZVCRSA-N 0 1 290.451 2.663 20 30 CFEDMN CC#CCN1CC[C@H](C)[C@H](NC(=O)C2CCC=CCC2)C1 ZINC000968663912 613593256 /nfs/dbraw/zinc/59/32/56/613593256.db2.gz BZALRKBHVGOLFY-DOTOQJQBSA-N 0 1 288.435 2.583 20 30 CFEDMN CC#CCN1C[C@@H](NC(=O)C2CCCCCC2)C(C)(C)C1 ZINC000972852124 613607968 /nfs/dbraw/zinc/60/79/68/613607968.db2.gz NFXGUEWVANRETC-MRXNPFEDSA-N 0 1 290.451 2.807 20 30 CFEDMN CC#CCN1C[C@@H](NC(=O)C2C(C)(C)C2(C)C)C(C)(C)C1 ZINC000972999138 613608253 /nfs/dbraw/zinc/60/82/53/613608253.db2.gz SUWCUPXYIUCWJO-CYBMUJFWSA-N 0 1 290.451 2.519 20 30 CFEDMN CC#CCN1C[C@@H](NC(=O)[C@@H]2C[C@H]2C(C)(C)C)C(C)(C)C1 ZINC000974807840 613609069 /nfs/dbraw/zinc/60/90/69/613609069.db2.gz NGGXLPAONRQOEG-RBSFLKMASA-N 0 1 290.451 2.519 20 30 CFEDMN C=CCN1CC([C@@H](C)NC(=O)c2cc(C)cc(C)c2)C1 ZINC000970800702 613663985 /nfs/dbraw/zinc/66/39/85/613663985.db2.gz LRTNEJVFEWXQDU-CQSZACIVSA-N 0 1 272.392 2.540 20 30 CFEDMN C=CCN1CC([C@H](C)NC(=O)C2CCC3(CC3)CC2)C1 ZINC000970169404 613668113 /nfs/dbraw/zinc/66/81/13/613668113.db2.gz NEQPLMLSYQTFKF-ZDUSSCGKSA-N 0 1 276.424 2.579 20 30 CFEDMN C=CCN1CC([C@H](C)NC(=O)C2CCCCCC2)C1 ZINC000969370992 613668326 /nfs/dbraw/zinc/66/83/26/613668326.db2.gz BVHOFHSSKCQPMI-ZDUSSCGKSA-N 0 1 264.413 2.579 20 30 CFEDMN C=CCN1CC([C@H](C)NC(=O)C2[C@H]3CCCCCC[C@H]23)C1 ZINC000970476359 613668609 /nfs/dbraw/zinc/66/86/09/613668609.db2.gz MNACELQXIMRODU-BPUTZDHNSA-N 0 1 290.451 2.825 20 30 CFEDMN C=CCN1CC([C@H](C)NC(=O)c2cc(C)ccc2C)C1 ZINC000970799150 613670413 /nfs/dbraw/zinc/67/04/13/613670413.db2.gz ASTICSALAONHFA-AWEZNQCLSA-N 0 1 272.392 2.540 20 30 CFEDMN C=CCN1CC([C@H](C)NC(=O)c2cc3ccc(C)cc3[nH]2)C1 ZINC000970232762 613671008 /nfs/dbraw/zinc/67/10/08/613671008.db2.gz XCNFOWQTSFQHRZ-ZDUSSCGKSA-N 0 1 297.402 2.712 20 30 CFEDMN C=CCN1CC([C@H](C)NC(=O)c2cc3c(cccc3C)o2)C1 ZINC000970947808 613671029 /nfs/dbraw/zinc/67/10/29/613671029.db2.gz MTBWRLBTYMLZFI-ZDUSSCGKSA-N 0 1 298.386 2.977 20 30 CFEDMN C=CCN1CC([C@H](C)NC(=O)c2cc(Cl)cs2)C1 ZINC000970528922 613671219 /nfs/dbraw/zinc/67/12/19/613671219.db2.gz KFWQKGYZDCFJEU-VIFPVBQESA-N 0 1 284.812 2.638 20 30 CFEDMN C=CCN1CC([C@H](C)NC(=O)c2ccc(Cl)cc2)C1 ZINC000970779451 613671348 /nfs/dbraw/zinc/67/13/48/613671348.db2.gz NMJMFRVGKYUFEM-NSHDSACASA-N 0 1 278.783 2.576 20 30 CFEDMN C=CCN1CC([C@H](C)NC(=O)c2ccc(C)cc2C)C1 ZINC000970833574 613671516 /nfs/dbraw/zinc/67/15/16/613671516.db2.gz PPDPOCNIWIXKFF-AWEZNQCLSA-N 0 1 272.392 2.540 20 30 CFEDMN C=CCN1CCCN(C(=O)Cc2cc(C)ccc2C)CC1 ZINC000981868554 613690100 /nfs/dbraw/zinc/69/01/00/613690100.db2.gz ZYCWHCFCLZUCJN-UHFFFAOYSA-N 0 1 286.419 2.566 20 30 CFEDMN C=CCN1CCCN(C(=O)c2c(C)cc(F)cc2C)CC1 ZINC000981737803 613695625 /nfs/dbraw/zinc/69/56/25/613695625.db2.gz LWQZHIJIEGELOV-UHFFFAOYSA-N 0 1 290.382 2.776 20 30 CFEDMN C=CCN1CC[C@@H](C)[C@H](NC(=O)c2cc(C)c(C)o2)C1 ZINC000965909681 613733688 /nfs/dbraw/zinc/73/36/88/613733688.db2.gz HEQVORLBAQXJCQ-BXUZGUMPSA-N 0 1 276.380 2.523 20 30 CFEDMN C=CCN1CC[C@@H](C)[C@H](NC(=O)c2cc[nH]c2CCC)C1 ZINC000967941910 613734472 /nfs/dbraw/zinc/73/44/72/613734472.db2.gz GAWIOBNUZDMRES-CZUORRHYSA-N 0 1 289.423 2.593 20 30 CFEDMN C=CCN1CC[C@@H](C)[C@H](NC(=O)c2cccc3c2CCC3)C1 ZINC000968695981 613735143 /nfs/dbraw/zinc/73/51/43/613735143.db2.gz XVVRFJSAMXACOO-RDTXWAMCSA-N 0 1 298.430 2.802 20 30 CFEDMN C=CCN1CC[C@H](C)[C@@H](NC(=O)c2c(C)oc(C)c2C)C1 ZINC000967282920 613768214 /nfs/dbraw/zinc/76/82/14/613768214.db2.gz CXYCUVLACGIJNU-NHYWBVRUSA-N 0 1 290.407 2.831 20 30 CFEDMN C=CCN1CC[C@H](C)[C@@H](NC(=O)[C@H]2CC[C@H](C)CC2)C1 ZINC000968560198 613768223 /nfs/dbraw/zinc/76/82/23/613768223.db2.gz BLIVNHULHXCHIX-VGWMRTNUSA-N 0 1 278.440 2.825 20 30 CFEDMN C=CCN1CC[C@H](C)[C@H](NC(=O)C2CCCCCC2)C1 ZINC000965562730 613771940 /nfs/dbraw/zinc/77/19/40/613771940.db2.gz UVGUCYDLGXUVKY-GOEBONIOSA-N 0 1 278.440 2.969 20 30 CFEDMN C=CCN1CC[C@H](C)[C@H](NC(=O)c2c(F)cccc2F)C1 ZINC000968584316 613772613 /nfs/dbraw/zinc/77/26/13/613772613.db2.gz WIYOAAFGKXOXLP-SMDDNHRTSA-N 0 1 294.345 2.591 20 30 CFEDMN C=CCN1CC[C@H](C)[C@H](NC(=O)c2ccc(C=C)cc2)C1 ZINC000968340733 613773811 /nfs/dbraw/zinc/77/38/11/613773811.db2.gz UNIIHQXKYHYXGR-WMLDXEAASA-N 0 1 284.403 2.956 20 30 CFEDMN C=CCN1CC[C@H](C)[C@H](NC(=O)c2ccc3[nH]ccc3c2)C1 ZINC000968106903 613774189 /nfs/dbraw/zinc/77/41/89/613774189.db2.gz NCRFATXNACUYDH-SUMWQHHRSA-N 0 1 297.402 2.794 20 30 CFEDMN C=CCN1CC[C@H](C)[C@H](NC(=O)c2cscc2C)C1 ZINC000965862857 613775828 /nfs/dbraw/zinc/77/58/28/613775828.db2.gz QKWSFTNDYXGSJD-SMDDNHRTSA-N 0 1 278.421 2.683 20 30 CFEDMN C=CCN1C[C@H](NC(=O)C23CCC(CC2)C3)C(C)(C)C1 ZINC000974734879 613826427 /nfs/dbraw/zinc/82/64/27/613826427.db2.gz XMGMZLUDTBEDMJ-UUCFBXCCSA-N 0 1 276.424 2.579 20 30 CFEDMN C=CCN1C[C@H](NC(=O)c2c(C)cccc2C)C(C)(C)C1 ZINC000975068188 613828349 /nfs/dbraw/zinc/82/83/49/613828349.db2.gz VFDNPMFMBMYGLT-HNNXBMFYSA-N 0 1 286.419 2.930 20 30 CFEDMN C=CCN1C[C@H](NC(=O)c2csc(C)c2)C(C)(C)C1 ZINC000977351259 613829892 /nfs/dbraw/zinc/82/98/92/613829892.db2.gz SDVKWAVXURZNAI-ZDUSSCGKSA-N 0 1 278.421 2.683 20 30 CFEDMN CC(C)C(=O)N[C@@H]1CCN(Cc2ccccc2C#N)[C@H](C)C1 ZINC000947069786 613926589 /nfs/dbraw/zinc/92/65/89/613926589.db2.gz CIXFUPCAEHFRMY-RHSMWYFYSA-N 0 1 299.418 2.683 20 30 CFEDMN C=C1CCC(C(=O)Nc2ccc3[nH]nnc3c2)CC1 ZINC000889505845 617909916 /nfs/dbraw/zinc/90/99/16/617909916.db2.gz DJWMIBOLLCMCSP-UHFFFAOYSA-N 0 1 256.309 2.643 20 30 CFEDMN C=CC[C@@H]1CCN1[C@@H]1CCCN(c2ccc(C#N)cc2)C1=O ZINC000934462916 618041761 /nfs/dbraw/zinc/04/17/61/618041761.db2.gz VISJHBMXMPGHIM-NVXWUHKLSA-N 0 1 295.386 2.704 20 30 CFEDMN Oc1cc(Cl)c(C=NN[C@H]2CCCOC2)cc1Cl ZINC000780262602 618079508 /nfs/dbraw/zinc/07/95/08/618079508.db2.gz PAVUOMSMYDGWIO-VIFPVBQESA-N 0 1 289.162 2.802 20 30 CFEDMN N#CC(C(=O)CC1CCCCC1)C(=O)NCc1ccccc1 ZINC000049486792 617606182 /nfs/dbraw/zinc/60/61/82/617606182.db2.gz XDEJHAOKIUINKM-INIZCTEOSA-N 0 1 298.386 2.982 20 30 CFEDMN C=CC[C@@H]1CCN1C(=O)c1sccc1CN(C)C ZINC000890559885 617650977 /nfs/dbraw/zinc/65/09/77/617650977.db2.gz RCWYGECYWWOHSC-GFCCVEGCSA-N 0 1 264.394 2.600 20 30 CFEDMN N#CCCc1ccc(NC(=O)N2C[C@H]3CCC[C@@H](C2)N3)cc1 ZINC000926192302 617663285 /nfs/dbraw/zinc/66/32/85/617663285.db2.gz DULOGMUMIDTFSG-IYBDPMFKSA-N 0 1 298.390 2.501 20 30 CFEDMN C#Cc1ccc(CNCC(=C)Br)cc1 ZINC000308518686 617688851 /nfs/dbraw/zinc/68/88/51/617688851.db2.gz NUVJKRVXMNWAIS-UHFFFAOYSA-N 0 1 250.139 2.666 20 30 CFEDMN C#C[C@H](N[C@@H](C)c1cc2ccccc2[nH]1)[C@@H]1CCCO1 ZINC000926211458 617718994 /nfs/dbraw/zinc/71/89/94/617718994.db2.gz UKWHPWVVWAJSCA-JDFRZJQESA-N 0 1 268.360 2.999 20 30 CFEDMN CCN(Cc1ncc(Br)cc1O)C[C@H](C)C#N ZINC000891716824 617725637 /nfs/dbraw/zinc/72/56/37/617725637.db2.gz XKURMZVXOLGOCR-SECBINFHSA-N 0 1 298.184 2.531 20 30 CFEDMN N#Cc1cc(CN2CCC[C@@H](c3cc[nH]n3)C2)cs1 ZINC000891723531 617729975 /nfs/dbraw/zinc/72/99/75/617729975.db2.gz OGNXFZRDRDXDRB-GFCCVEGCSA-N 0 1 272.377 2.722 20 30 CFEDMN Cc1ccc(CN2CCC3(CC2)CC(=O)C=CO3)cc1F ZINC000933645567 617738755 /nfs/dbraw/zinc/73/87/55/617738755.db2.gz SSTLYKLAJQTMNU-UHFFFAOYSA-N 0 1 289.350 2.972 20 30 CFEDMN C[C@@H](CCC#N)N1CC[C@@H](c2nccc(C(F)(F)F)n2)C1 ZINC000933714252 617758639 /nfs/dbraw/zinc/75/86/39/617758639.db2.gz UPYXFWSQYUIPMV-WDEREUQCSA-N 0 1 298.312 2.977 20 30 CFEDMN COC(=O)c1ccc(CN2CCC(C#N)CC2)cc1C ZINC000891852601 617786351 /nfs/dbraw/zinc/78/63/51/617786351.db2.gz NTZLJDLORPFFJS-UHFFFAOYSA-N 0 1 272.348 2.517 20 30 CFEDMN N#Cc1cc(CN2CCC[C@H](n3ccnc3)C2)cs1 ZINC000891905374 617817564 /nfs/dbraw/zinc/81/75/64/617817564.db2.gz PXCSMKJJKAMBKN-ZDUSSCGKSA-N 0 1 272.377 2.653 20 30 CFEDMN CC(=NNc1ccccn1)c1cnn(C2CCC2)c1 ZINC000901139717 620756371 /nfs/dbraw/zinc/75/63/71/620756371.db2.gz TWMFYPMLXCEINX-UHFFFAOYSA-N 0 1 255.325 2.839 20 30 CFEDMN COC(=O)C[C@@H](NCc1ccc(F)cc1C#N)C(C)(C)C ZINC000934031028 617872908 /nfs/dbraw/zinc/87/29/08/617872908.db2.gz HUYBGJDUKHEHTG-CQSZACIVSA-N 0 1 292.354 2.765 20 30 CFEDMN C#CCC1(C(=O)N2C[C@H](C)N(C)C[C@H]2C)CCCCC1 ZINC000788236941 617873017 /nfs/dbraw/zinc/87/30/17/617873017.db2.gz QHEDUBNFCHUAGM-LSDHHAIUSA-N 0 1 276.424 2.511 20 30 CFEDMN O=C(/C=C\c1cc(O)ccc1[N+](=O)[O-])c1cccnc1 ZINC000255426799 617890995 /nfs/dbraw/zinc/89/09/95/617890995.db2.gz PCZWXLKMMGECIK-UTCJRWHESA-N 0 1 270.244 2.592 20 30 CFEDMN CCCN(CCN1CCCC1)c1snc(Cl)c1C#N ZINC000804809159 617891749 /nfs/dbraw/zinc/89/17/49/617891749.db2.gz QJDRWCXFVIFHRA-UHFFFAOYSA-N 0 1 298.843 2.980 20 30 CFEDMN C#CCN(Cc1ccccc1)C(=O)c1cc(CCC)[nH]n1 ZINC000804832207 617905379 /nfs/dbraw/zinc/90/53/79/617905379.db2.gz IUXVALPPXKOKGZ-UHFFFAOYSA-N 0 1 281.359 2.638 20 30 CFEDMN COC(=O)CCC1CCN(Cc2csc(C#N)c2)CC1 ZINC000892021985 617915790 /nfs/dbraw/zinc/91/57/90/617915790.db2.gz QCKSXWOJKGDWDZ-UHFFFAOYSA-N 0 1 292.404 2.785 20 30 CFEDMN CC(=NNC1=NC[C@H](C)N1)c1csc2ccccc12 ZINC000901214789 620765944 /nfs/dbraw/zinc/76/59/44/620765944.db2.gz DPEMFBNBRQNICO-VIFPVBQESA-N 0 1 272.377 2.563 20 30 CFEDMN Cc1ccccc1C(N=Nc1ccnn1C)C1CC1 ZINC000901219572 620767169 /nfs/dbraw/zinc/76/71/69/620767169.db2.gz DBKCTOZNNMDBAC-UHFFFAOYSA-N 0 1 254.337 2.955 20 30 CFEDMN C=CCCCCCCNc1cc(-n2cccn2)nc(N)n1 ZINC000804851141 618009006 /nfs/dbraw/zinc/00/90/06/618009006.db2.gz KDHFWOKPABTFTP-UHFFFAOYSA-N 0 1 286.383 2.793 20 30 CFEDMN Cc1nc(Br)c(C=NNCC2CCCC2)[nH]1 ZINC000901239067 620769842 /nfs/dbraw/zinc/76/98/42/620769842.db2.gz LATOVXQNDNTOCE-UHFFFAOYSA-N 0 1 285.189 2.594 20 30 CFEDMN CC#CC[N@H+]1CC[C@H]2[C@H](CCCN2C(=O)c2ccccc2)C1 ZINC001021506869 618034424 /nfs/dbraw/zinc/03/44/24/618034424.db2.gz UHEXEFCYVMUEHA-MSOLQXFVSA-N 0 1 296.414 2.636 20 30 CFEDMN C=CC[C@@H]1CC[N@H+]1C[C@H](C)C(=O)c1ccc([O-])cc1 ZINC000934459072 618039692 /nfs/dbraw/zinc/03/96/92/618039692.db2.gz ADTZATINOYUZPU-GXTWGEPZSA-N 0 1 259.349 2.861 20 30 CFEDMN C=CC[C@@H]1CC[N@@H+]1C[C@H](C)C(=O)c1ccc([O-])cc1 ZINC000934459072 618039696 /nfs/dbraw/zinc/03/96/96/618039696.db2.gz ADTZATINOYUZPU-GXTWGEPZSA-N 0 1 259.349 2.861 20 30 CFEDMN C=C1CCC(C(=O)N2CCN(CC)C[C@H]2CC)CC1 ZINC000891330608 618132071 /nfs/dbraw/zinc/13/20/71/618132071.db2.gz LPWQAQXDJOBNRX-OAHLLOKOSA-N 0 1 264.413 2.676 20 30 CFEDMN Cc1cncc(/C=C\C(=O)Nc2cc(C#N)ccc2O)c1 ZINC000255266252 618152470 /nfs/dbraw/zinc/15/24/70/618152470.db2.gz RTQZBHXMLUWFME-HYXAFXHYSA-N 0 1 279.299 2.619 20 30 CFEDMN N#CCc1ccc(CN2CCOC[C@H]2CC2CC2)cc1 ZINC000933213021 618170782 /nfs/dbraw/zinc/17/07/82/618170782.db2.gz KBKPRZKNEOQDHN-QGZVFWFLSA-N 0 1 270.376 2.754 20 30 CFEDMN CCn1cnc2c1CCN(CCCCC(C)(C)C#N)C2 ZINC000933254146 618177363 /nfs/dbraw/zinc/17/73/63/618177363.db2.gz NGSLZXHFZKGABV-UHFFFAOYSA-N 0 1 274.412 2.981 20 30 CFEDMN C#CCC1(NCc2cn(CC3CC3)nn2)CCCCC1 ZINC000933265818 618179840 /nfs/dbraw/zinc/17/98/40/618179840.db2.gz KSOBAXJVVDFZAD-UHFFFAOYSA-N 0 1 272.396 2.504 20 30 CFEDMN C#CCC1(NCc2nnc(C3CC3)n2C2CC2)CCC1 ZINC000933299440 618194014 /nfs/dbraw/zinc/19/40/14/618194014.db2.gz SJQDOLQQFARLPU-UHFFFAOYSA-N 0 1 270.380 2.526 20 30 CFEDMN C=CCN(CC=C)C[C@@H](O)c1ccc(F)c(F)c1 ZINC000051087912 618198564 /nfs/dbraw/zinc/19/85/64/618198564.db2.gz AGPIMMJPSXHRMY-CQSZACIVSA-N 0 1 253.292 2.672 20 30 CFEDMN C[C@@H]1CC(NN=Cc2ccc(F)c(F)c2O)C[C@@H](C)O1 ZINC000901298389 620785248 /nfs/dbraw/zinc/78/52/48/620785248.db2.gz DPTOOQHQUYDSJY-RKDXNWHRSA-N 0 1 284.306 2.550 20 30 CFEDMN N#Cc1ccc(O)c(NC(=O)c2ccc(Cl)nc2)c1 ZINC000176813977 618204939 /nfs/dbraw/zinc/20/49/39/618204939.db2.gz JWWLKPKSXWVTLU-UHFFFAOYSA-N 0 1 273.679 2.565 20 30 CFEDMN Cc1cccc(OCC(=O)Nc2cc(C#N)ccc2O)c1 ZINC000176817709 618205354 /nfs/dbraw/zinc/20/53/54/618205354.db2.gz QZRPGVSESARCDC-UHFFFAOYSA-N 0 1 282.299 2.590 20 30 CFEDMN Clc1ccsc1C=NNC1=N[C@H]2CCCC[C@@H]2N1 ZINC000782255601 618213648 /nfs/dbraw/zinc/21/36/48/618213648.db2.gz VNFSRNYARLTTOC-UWVGGRQHSA-N 0 1 282.800 2.595 20 30 CFEDMN COc1ccc(CN(CCC#N)CC(C)C)c(O)c1OC ZINC000891465748 618222262 /nfs/dbraw/zinc/22/22/62/618222262.db2.gz WLUUNRUOCOPXQL-UHFFFAOYSA-N 0 1 292.379 2.781 20 30 CFEDMN C=CC[N@@H+](CC1CCCCC1)CN1CCOC1=S ZINC000112200307 618250478 /nfs/dbraw/zinc/25/04/78/618250478.db2.gz MBASFZVVFDNJQH-UHFFFAOYSA-N 0 1 268.426 2.629 20 30 CFEDMN C=CCN(CC1CCCCC1)CN1CCOC1=S ZINC000112200307 618250480 /nfs/dbraw/zinc/25/04/80/618250480.db2.gz MBASFZVVFDNJQH-UHFFFAOYSA-N 0 1 268.426 2.629 20 30 CFEDMN C[C@H]1CSCCN(Cc2csc(C#N)c2)C1 ZINC000894010828 618267794 /nfs/dbraw/zinc/26/77/94/618267794.db2.gz ZFHAKRQDUWKIHB-SNVBAGLBSA-N 0 1 252.408 2.805 20 30 CFEDMN CC(C)(C)n1cc(C=NNc2cc(F)ccc2F)nn1 ZINC000901319606 620791116 /nfs/dbraw/zinc/79/11/16/620791116.db2.gz AHWLGKQOEFFPIS-UHFFFAOYSA-N 0 1 279.294 2.757 20 30 CFEDMN CC1(C)CCC[C@@H](C(=O)C(C#N)C(=O)NC2CCCC2)C1 ZINC000179384849 618268934 /nfs/dbraw/zinc/26/89/34/618268934.db2.gz RTWCCFQCVCWRLG-TZMCWYRMSA-N 0 1 290.407 2.970 20 30 CFEDMN C[C@@H](CNC(=O)OC(C)(C)C)NCC#Cc1ccccc1 ZINC000894023150 618278064 /nfs/dbraw/zinc/27/80/64/618278064.db2.gz LGDRBTVOUHNCRW-AWEZNQCLSA-N 0 1 288.391 2.541 20 30 CFEDMN C#C[C@H](N[C@H]1CCCc2sccc21)[C@H]1CCCO1 ZINC000775574534 618280547 /nfs/dbraw/zinc/28/05/47/618280547.db2.gz PYIQXMZGFGRNSZ-MELADBBJSA-N 0 1 261.390 2.896 20 30 CFEDMN C=C(C)C[N@H+]1CCCC[C@H]1CNC(=O)c1cccc(F)c1 ZINC001024308315 618291394 /nfs/dbraw/zinc/29/13/94/618291394.db2.gz DUIJXUUROZHXKJ-INIZCTEOSA-N 0 1 290.382 2.986 20 30 CFEDMN C=CCN1CCCC[C@@H]1CNC(=O)c1ccsc1 ZINC001024319280 618293471 /nfs/dbraw/zinc/29/34/71/618293471.db2.gz ZEVQOHSYEDQWBJ-CYBMUJFWSA-N 0 1 264.394 2.518 20 30 CFEDMN C=C(C)C[N@H+]1CCCC[C@H]1CNC(=O)c1ccc(C)nc1 ZINC001024333178 618294867 /nfs/dbraw/zinc/29/48/67/618294867.db2.gz NCVITMJHBCFMCC-INIZCTEOSA-N 0 1 287.407 2.550 20 30 CFEDMN C=CC[N@@H+]1CCCC[C@@H]1CNC(=O)c1ccoc1CC ZINC001024415029 618308826 /nfs/dbraw/zinc/30/88/26/618308826.db2.gz NIKZQOKSIJFQII-CYBMUJFWSA-N 0 1 276.380 2.612 20 30 CFEDMN C=CCN1CCCC[C@@H]1CNC(=O)c1ccoc1CC ZINC001024415029 618308834 /nfs/dbraw/zinc/30/88/34/618308834.db2.gz NIKZQOKSIJFQII-CYBMUJFWSA-N 0 1 276.380 2.612 20 30 CFEDMN C=CCN1CCCC[C@@H]1CNC(=O)c1c(C)coc1C ZINC001024425640 618311511 /nfs/dbraw/zinc/31/15/11/618311511.db2.gz GVGIRVQYMPKMPU-CQSZACIVSA-N 0 1 276.380 2.667 20 30 CFEDMN C#CC[N@@H+]1CCCC[C@H]1CNC(=O)[C@@H]1C[C@H]1CC(C)(C)C ZINC001024448159 618316134 /nfs/dbraw/zinc/31/61/34/618316134.db2.gz DPZSSIYVUHCCQI-HRCADAONSA-N 0 1 290.451 2.663 20 30 CFEDMN C#CCN1CCCC[C@H]1CNC(=O)[C@@H]1C[C@H]1CC(C)(C)C ZINC001024448159 618316141 /nfs/dbraw/zinc/31/61/41/618316141.db2.gz DPZSSIYVUHCCQI-HRCADAONSA-N 0 1 290.451 2.663 20 30 CFEDMN C=CCN1CCCC[C@@H]1CNC(=O)[C@H]1CCC(F)(F)C1 ZINC001024473607 618325412 /nfs/dbraw/zinc/32/54/12/618325412.db2.gz GTCYFUCRZLQQEU-QWHCGFSZSA-N 0 1 286.366 2.579 20 30 CFEDMN C=CCN1CCCC[C@H]1CNC(=O)c1nc(C)sc1C ZINC001024505258 618338279 /nfs/dbraw/zinc/33/82/79/618338279.db2.gz XYEMOUDHQYOGFF-ZDUSSCGKSA-N 0 1 293.436 2.530 20 30 CFEDMN Cc1c(C(=O)Nc2cc(C#N)ccc2O)cccc1[N+](=O)[O-] ZINC000179735802 618343177 /nfs/dbraw/zinc/34/31/77/618343177.db2.gz PIOREPVGYIUJAV-UHFFFAOYSA-N 0 1 297.270 2.733 20 30 CFEDMN C#CCN1CCCC[C@@H]1CNC(=O)c1ccccc1CCC ZINC001024545065 618358859 /nfs/dbraw/zinc/35/88/59/618358859.db2.gz CYSLVLCFTARNKA-QGZVFWFLSA-N 0 1 298.430 2.857 20 30 CFEDMN C=CCN1CCCC[C@@H]1CNC(=O)c1cc2ncccc2o1 ZINC001024557735 618368201 /nfs/dbraw/zinc/36/82/01/618368201.db2.gz BAFMKWIPTJTKRC-CYBMUJFWSA-N 0 1 299.374 2.598 20 30 CFEDMN CC#CCCCC(=O)N(C)[C@@H](c1nnc[nH]1)c1ccccc1 ZINC000909482666 618409272 /nfs/dbraw/zinc/40/92/72/618409272.db2.gz UFMJNJUSHJIQNT-MRXNPFEDSA-N 0 1 296.374 2.546 20 30 CFEDMN C=CCCCC(=O)N(C)[C@H](c1nnc[nH]1)c1ccccc1 ZINC000909489221 618415668 /nfs/dbraw/zinc/41/56/68/618415668.db2.gz RJEVVRDDICZMJC-HNNXBMFYSA-N 0 1 284.363 2.709 20 30 CFEDMN C=CCN1CCCC[C@@H]1CNC(=O)C1CCC(F)CC1 ZINC001024638865 618427780 /nfs/dbraw/zinc/42/77/80/618427780.db2.gz ZZGZNOZQHLPAAR-YMAMQOFZSA-N 0 1 282.403 2.671 20 30 CFEDMN CCN1C(=O)N=NC1SCCCCC1(C#N)CCC1 ZINC000901403466 620806444 /nfs/dbraw/zinc/80/64/44/620806444.db2.gz WWAZAJUHYWZBAS-UHFFFAOYSA-N 0 1 280.397 2.960 20 30 CFEDMN C=CCN1CCCC[C@@H]1CNC(=O)c1ncoc1C(C)C ZINC001024750029 618461968 /nfs/dbraw/zinc/46/19/68/618461968.db2.gz KCEUJOMKUUSBEI-CYBMUJFWSA-N 0 1 291.395 2.568 20 30 CFEDMN C#CCN1CCCC[C@@H]1CNC(=O)c1cc(C)cc(C)c1 ZINC001024777300 618469173 /nfs/dbraw/zinc/46/91/73/618469173.db2.gz JJKISWLGCVEDDZ-QGZVFWFLSA-N 0 1 284.403 2.521 20 30 CFEDMN C(=NNc1cnc2ccccc2n1)c1cscn1 ZINC000727257110 618474584 /nfs/dbraw/zinc/47/45/84/618474584.db2.gz FDWQZCZDAGHVIN-UHFFFAOYSA-N 0 1 255.306 2.532 20 30 CFEDMN CCCN1c2ccccc2C(=N[N-]c2ccc(C)c[nH+]2)C1=O ZINC000727259651 618475512 /nfs/dbraw/zinc/47/55/12/618475512.db2.gz JPQPLIJVSJWCIF-UHFFFAOYSA-N 0 1 294.358 2.963 20 30 CFEDMN CC#CCN1CCCC[C@@H]1CNC(=O)C1CCC=CCC1 ZINC001024805739 618475871 /nfs/dbraw/zinc/47/58/71/618475871.db2.gz ZPJGIKDHZNMWQK-QGZVFWFLSA-N 0 1 288.435 2.727 20 30 CFEDMN C#C[C@@H](NCc1cc(C)cnc1Cl)C1CCOCC1 ZINC000895436798 618584698 /nfs/dbraw/zinc/58/46/98/618584698.db2.gz UQQKIDUVHABKKK-CQSZACIVSA-N 0 1 278.783 2.561 20 30 CFEDMN C=CCN1CCC[C@H](NC(=O)c2ccc3occc3c2)C1 ZINC001007389603 618675471 /nfs/dbraw/zinc/67/54/71/618675471.db2.gz ABEHHOBVJGYVTE-HNNXBMFYSA-N 0 1 284.359 2.813 20 30 CFEDMN C#CCOc1ccccc1CN[C@H](C)c1cccnc1 ZINC000020127951 618799064 /nfs/dbraw/zinc/79/90/64/618799064.db2.gz MCPCZXZHCBEGGW-CQSZACIVSA-N 0 1 266.344 2.944 20 30 CFEDMN N#C[C@H](C(=O)CCF)c1cc(C(F)(F)F)ccn1 ZINC000893061753 618817391 /nfs/dbraw/zinc/81/73/91/618817391.db2.gz OSZKMXJXZHCRBE-QMMMGPOBSA-N 0 1 260.190 2.636 20 30 CFEDMN CC(=O)OC[C@H](C)N[C@@H](CCC#N)c1ccccc1 ZINC000893195047 618876229 /nfs/dbraw/zinc/87/62/29/618876229.db2.gz QVFGWTMELZKPIG-WFASDCNBSA-N 0 1 260.337 2.573 20 30 CFEDMN C=C1CCN(C(=O)NCc2nc3ccc(C)cc3[nH]2)CC1 ZINC000893361578 618931603 /nfs/dbraw/zinc/93/16/03/618931603.db2.gz LIMRMDZUFSQLIS-UHFFFAOYSA-N 0 1 284.363 2.733 20 30 CFEDMN CC1(C#N)CCN(Cc2cn3ccnc3s2)CC1 ZINC000893471717 619010969 /nfs/dbraw/zinc/01/09/69/619010969.db2.gz VZMFTLFXIAECEX-UHFFFAOYSA-N 0 1 260.366 2.521 20 30 CFEDMN N#Cc1cc(CN2CCOCC3(CCC3)C2)cs1 ZINC000893581996 619078530 /nfs/dbraw/zinc/07/85/30/619078530.db2.gz DGHWXSNIXAKSRP-UHFFFAOYSA-N 0 1 262.378 2.622 20 30 CFEDMN C#C[C@H](NCc1cc(C)nc2c1CCCC2)[C@@H]1CCCO1 ZINC000893676872 619153834 /nfs/dbraw/zinc/15/38/34/619153834.db2.gz PCYMDSUOWKECRF-WMZOPIPTSA-N 0 1 284.403 2.539 20 30 CFEDMN CC(=NN[C@H](C)c1ccccc1)c1ccc(N)nc1 ZINC000814814989 619261126 /nfs/dbraw/zinc/26/11/26/619261126.db2.gz IFLVBBZZRUFADO-LLVKDONJSA-N 0 1 254.337 2.739 20 30 CFEDMN Cc1cc(N=NC2COc3cccc(Cl)c32)ncn1 ZINC000814846299 619263741 /nfs/dbraw/zinc/26/37/41/619263741.db2.gz MJYJRVPDFKUQOX-UHFFFAOYSA-N 0 1 274.711 2.647 20 30 CFEDMN Cc1cc(NN=C2COc3cccc(Cl)c32)ncn1 ZINC000814846299 619263743 /nfs/dbraw/zinc/26/37/43/619263743.db2.gz MJYJRVPDFKUQOX-UHFFFAOYSA-N 0 1 274.711 2.647 20 30 CFEDMN Cc1nccc(N[C@@H]2CC[C@H](C#N)C2)c1Br ZINC000894274100 619301434 /nfs/dbraw/zinc/30/14/34/619301434.db2.gz YPLJPBZSFARNBO-VHSXEESVSA-N 0 1 280.169 2.679 20 30 CFEDMN Cc1ncc2c(n1)CCC[C@@H]2NCc1cc(C#N)cs1 ZINC000748098967 619335155 /nfs/dbraw/zinc/33/51/55/619335155.db2.gz ADPMJYUAVHQIJQ-AWEZNQCLSA-N 0 1 284.388 2.885 20 30 CFEDMN CO[C@H]1CC[C@@H](C)N(Cc2ccc(C#N)s2)C1 ZINC000879326230 619336557 /nfs/dbraw/zinc/33/65/57/619336557.db2.gz QLDYMAWIYHAQRM-MNOVXSKESA-N 0 1 250.367 2.619 20 30 CFEDMN C#C[C@H](C)NCc1ccc(Br)cc1NC(C)=O ZINC000894383413 619360717 /nfs/dbraw/zinc/36/07/17/619360717.db2.gz JQXROHKZJINEGU-VIFPVBQESA-N 0 1 295.180 2.519 20 30 CFEDMN C#C[C@H](C)[N@@H+](C)Cc1cc(Br)cc(F)c1[O-] ZINC000894574072 619421830 /nfs/dbraw/zinc/42/18/30/619421830.db2.gz MMVCOOYMPPVKCN-QMMMGPOBSA-N 0 1 286.144 2.747 20 30 CFEDMN C=CC[C@H](N[C@H](C)c1ccnnc1)c1ccncc1 ZINC000925075861 619422173 /nfs/dbraw/zinc/42/21/73/619422173.db2.gz SASXZKAHTJVBOG-DOMZBBRYSA-N 0 1 254.337 2.840 20 30 CFEDMN N#CC1(CNc2nc(Cl)nc3nc[nH]c32)CCCCC1 ZINC000894581260 619423681 /nfs/dbraw/zinc/42/36/81/619423681.db2.gz NDFHMMAMBBBPSS-UHFFFAOYSA-N 0 1 290.758 2.844 20 30 CFEDMN C=C1C[C@H]2CC[C@@H](C1)N2c1nc(Cl)nc2[nH]cnc21 ZINC000894609917 619427169 /nfs/dbraw/zinc/42/71/69/619427169.db2.gz HDZGKWWRCLOJAC-DTORHVGOSA-N 0 1 275.743 2.694 20 30 CFEDMN CC(C)[C@H]1CN(Cc2csc(C#N)c2)CCCO1 ZINC000894657968 619434579 /nfs/dbraw/zinc/43/45/79/619434579.db2.gz YWRWAPNDBXEGAT-CQSZACIVSA-N 0 1 264.394 2.867 20 30 CFEDMN C#CCOc1ccc(CNCc2ccc(OCC)o2)cc1 ZINC000894737476 619453230 /nfs/dbraw/zinc/45/32/30/619453230.db2.gz ZPVMQZIXPOKCAV-UHFFFAOYSA-N 0 1 285.343 2.980 20 30 CFEDMN CC1(C#N)CN(Cc2cc(Br)cc(F)c2O)C1 ZINC000894971410 619519060 /nfs/dbraw/zinc/51/90/60/619519060.db2.gz XHEYNGJMPHVJPU-UHFFFAOYSA-N 0 1 299.143 2.639 20 30 CFEDMN CCc1cccc(NC(=O)CN[C@H]2CCC[C@@H](C#N)C2)c1 ZINC000895039614 619531039 /nfs/dbraw/zinc/53/10/39/619531039.db2.gz NJOHCDKMIPSPOG-CABCVRRESA-N 0 1 285.391 2.859 20 30 CFEDMN C=C1CCC(C(=O)Nc2nc(-c3ccco3)n[nH]2)CC1 ZINC000895614163 619568009 /nfs/dbraw/zinc/56/80/09/619568009.db2.gz KBTCQDZXKYTGCP-UHFFFAOYSA-N 0 1 272.308 2.750 20 30 CFEDMN C=C[C@H](CC)CC(=O)OCc1nnc(C(C)(C)C)[nH]1 ZINC000909526570 619570409 /nfs/dbraw/zinc/57/04/09/619570409.db2.gz ZYVCNXMNFMFCRJ-SNVBAGLBSA-N 0 1 265.357 2.748 20 30 CFEDMN C=C[C@H](CC)CC(=O)OCc1n[nH]c(C(C)(C)C)n1 ZINC000909526570 619570411 /nfs/dbraw/zinc/57/04/11/619570411.db2.gz ZYVCNXMNFMFCRJ-SNVBAGLBSA-N 0 1 265.357 2.748 20 30 CFEDMN C#CCN1CCC(Nc2nc(C(C)(C)C)ccc2C#N)CC1 ZINC000895808869 619609567 /nfs/dbraw/zinc/60/95/67/619609567.db2.gz VBOQYLVIUATBQC-UHFFFAOYSA-N 0 1 296.418 2.760 20 30 CFEDMN C#CCN1CCC(Nc2nc(C)ccc2Cl)CC1 ZINC000895807920 619612320 /nfs/dbraw/zinc/61/23/20/619612320.db2.gz FCGXYTYRRMOXTP-UHFFFAOYSA-N 0 1 263.772 2.553 20 30 CFEDMN CC(C)c1nnc(CN[C@@H]2Cc3ccc(C#N)cc3C2)s1 ZINC000895860564 619620764 /nfs/dbraw/zinc/62/07/64/619620764.db2.gz CLERDJBPWMZVMJ-CQSZACIVSA-N 0 1 298.415 2.790 20 30 CFEDMN C=CCC1(O)CCN(Cc2cnn(C3CCC3)c2)CC1 ZINC000896059101 619663268 /nfs/dbraw/zinc/66/32/68/619663268.db2.gz VHXAMMYLONXJCL-UHFFFAOYSA-N 0 1 275.396 2.511 20 30 CFEDMN N#C[C@@H]1CCCN(Cc2cnc(-c3ccccc3)[nH]2)C1 ZINC000896500819 619750350 /nfs/dbraw/zinc/75/03/50/619750350.db2.gz AJQOHYOLDPQVBX-ZDUSSCGKSA-N 0 1 266.348 2.812 20 30 CFEDMN N#C[C@@H]1CCCN(Cc2cc(Cl)c(F)cc2O)C1 ZINC000896502169 619751206 /nfs/dbraw/zinc/75/12/06/619751206.db2.gz DERZBFSSFMUUDT-VIFPVBQESA-N 0 1 268.719 2.920 20 30 CFEDMN Cc1cc(N)nc(N2CCC(c3ccc(C#N)cc3)CC2)n1 ZINC000896865392 619850815 /nfs/dbraw/zinc/85/08/15/619850815.db2.gz WYFRUGZWHVHDGD-UHFFFAOYSA-N 0 1 293.374 2.623 20 30 CFEDMN C[N@@H+](CCCC/N=C/c1cc([N+](=O)[O-])ccc1[O-])C1CC1 ZINC000840710739 619916347 /nfs/dbraw/zinc/91/63/47/619916347.db2.gz RUOWCEHWJSSWCS-LFIBNONCSA-N 0 1 291.351 2.594 20 30 CFEDMN C=C1CCC(C(=O)N[C@@H](C)Cc2cc(C)[nH]n2)CC1 ZINC000897054618 619921228 /nfs/dbraw/zinc/92/12/28/619921228.db2.gz IYQCGUJWJJAGGT-NSHDSACASA-N 0 1 261.369 2.512 20 30 CFEDMN C#CCN1CCC(NC(=O)C/C=C\c2ccc(C)cc2)CC1 ZINC000928656317 619942145 /nfs/dbraw/zinc/94/21/45/619942145.db2.gz RZFYUTIBYCELQH-PLNGDYQASA-N 0 1 296.414 2.612 20 30 CFEDMN C#CCN(Cc1ccc(N(C)C(C)C)nc1)C(C)C ZINC000897170791 619943909 /nfs/dbraw/zinc/94/39/09/619943909.db2.gz ICCPUCIYAPEWOA-UHFFFAOYSA-N 0 1 259.397 2.770 20 30 CFEDMN C#CCN1CCC(NC(=O)C[C@@H](C)CC(C)(C)C)CC1 ZINC000928657515 619945260 /nfs/dbraw/zinc/94/52/60/619945260.db2.gz LRYKRSVWIYPEGK-CQSZACIVSA-N 0 1 278.440 2.663 20 30 CFEDMN N#C[C@H]1CCC[C@H]([NH2+]CCc2c(F)cc([O-])cc2F)C1 ZINC000897305589 619973850 /nfs/dbraw/zinc/97/38/50/619973850.db2.gz XYZKOLDHKFPECF-QWRGUYRKSA-N 0 1 280.318 2.885 20 30 CFEDMN C[C@H](N[C@@H](C)c1cccc(C#N)c1)c1ccnnc1 ZINC000925186652 620012301 /nfs/dbraw/zinc/01/23/01/620012301.db2.gz YULZTPPETRTTTI-RYUDHWBXSA-N 0 1 252.321 2.760 20 30 CFEDMN C=C(Cl)CN[C@H]1CCN(C(=O)C2CCCCC2)[C@@H]1C ZINC000985887675 620049107 /nfs/dbraw/zinc/04/91/07/620049107.db2.gz HQWGQKBCEPKPGC-OCCSQVGLSA-N 0 1 284.831 2.898 20 30 CFEDMN C=C(Cl)CN[C@H]1CCN(C(=O)c2ccccc2F)[C@@H]1C ZINC000985898060 620049816 /nfs/dbraw/zinc/04/98/16/620049816.db2.gz KVEUPPGNXPEDCT-RISCZKNCSA-N 0 1 296.773 2.771 20 30 CFEDMN C=C(Cl)CN[C@H]1CCN(C(=O)c2cc[nH]c2CC)[C@@H]1C ZINC000986225970 620076756 /nfs/dbraw/zinc/07/67/56/620076756.db2.gz VIDJKKNXPHMHQI-RISCZKNCSA-N 0 1 295.814 2.522 20 30 CFEDMN C=C(Cl)CN[C@H]1CCN(C(=O)c2cc(C)co2)[C@H]1C ZINC000986654898 620096208 /nfs/dbraw/zinc/09/62/08/620096208.db2.gz DUVISXDIJNEIQU-RYUDHWBXSA-N 0 1 282.771 2.533 20 30 CFEDMN C=CC[C@H]1CCN(C(=O)c2n[nH]c(C)c2Br)C1 ZINC000862542687 620114801 /nfs/dbraw/zinc/11/48/01/620114801.db2.gz XCZSQBWJKFGLOP-VIFPVBQESA-N 0 1 298.184 2.519 20 30 CFEDMN C=C(Cl)CN[C@H]1C[C@@H](C)N(C(=O)c2ccoc2C)C1 ZINC000987998278 620159986 /nfs/dbraw/zinc/15/99/86/620159986.db2.gz WTYUWNIUAMHDCJ-PWSUYJOCSA-N 0 1 282.771 2.533 20 30 CFEDMN C=C(Cl)CN[C@@H]1C[C@@H](C)N(C(=O)c2cc(C)oc2C)C1 ZINC000988061574 620161167 /nfs/dbraw/zinc/16/11/67/620161167.db2.gz XYCLGFKTKFWQIL-ZWNOBZJWSA-N 0 1 296.798 2.842 20 30 CFEDMN COc1cc(F)cc(N=NC(C)c2cn(C)c(C)n2)c1 ZINC000800813546 620196077 /nfs/dbraw/zinc/19/60/77/620196077.db2.gz AHGDGCMBOVPZFU-UHFFFAOYSA-N 0 1 276.315 2.712 20 30 CFEDMN C/C=C(/C)C(=O)N1C[C@H](NCc2ccccc2C#N)C[C@H]1C ZINC000988511958 620196343 /nfs/dbraw/zinc/19/63/43/620196343.db2.gz KRCIUPWIRAYEAN-QDWYOYRESA-N 0 1 297.402 2.603 20 30 CFEDMN C=C(Cl)CN[C@H]1C[C@@H](C)N(C(=O)c2coc(C)c2)C1 ZINC000988696366 620215711 /nfs/dbraw/zinc/21/57/11/620215711.db2.gz BKMGRZAXOCTDCL-MFKMUULPSA-N 0 1 282.771 2.533 20 30 CFEDMN C=C(Cl)CN[C@H]1C[C@@H](C)N(C(=O)Cc2ccccc2)C1 ZINC000989056972 620230419 /nfs/dbraw/zinc/23/04/19/620230419.db2.gz UPROLHBNNOKZHM-HIFRSBDPSA-N 0 1 292.810 2.561 20 30 CFEDMN C=C(Cl)CN[C@@H]1C[C@H](C)N(C(=O)c2cc(C)co2)C1 ZINC000989302958 620243988 /nfs/dbraw/zinc/24/39/88/620243988.db2.gz PEIAEQVTBSFYKI-NWDGAFQWSA-N 0 1 282.771 2.533 20 30 CFEDMN C[C@H](CCC#N)CN1CCO[C@@H](c2ccc(C#N)cc2)C1 ZINC000897596579 620254661 /nfs/dbraw/zinc/25/46/61/620254661.db2.gz RAJXTVFTEYGXLF-RHSMWYFYSA-N 0 1 283.375 2.871 20 30 CFEDMN C[C@@H](NCc1nc(C#N)cs1)[C@H]1COc2ccccc2C1 ZINC000897626051 620262763 /nfs/dbraw/zinc/26/27/63/620262763.db2.gz LFKYSOQLBHWNCR-DGCLKSJQSA-N 0 1 299.399 2.744 20 30 CFEDMN COc1cccc(O)c1CN(C)Cc1cc(C#N)cs1 ZINC000897625238 620262864 /nfs/dbraw/zinc/26/28/64/620262864.db2.gz HVOCBQGNRWCJGH-UHFFFAOYSA-N 0 1 288.372 2.966 20 30 CFEDMN C=C(Cl)CN[C@H]1C[C@@H](C)N(C(=O)C2CC3(CC3)C2)C1 ZINC000989438289 620274716 /nfs/dbraw/zinc/27/47/16/620274716.db2.gz KIZAAMYHIYDJBE-YPMHNXCESA-N 0 1 282.815 2.508 20 30 CFEDMN C=CCCN1CCCN(C(=O)c2scnc2Cl)CC1 ZINC000989678827 620385432 /nfs/dbraw/zinc/38/54/32/620385432.db2.gz BJIQFPFTNBYNLU-UHFFFAOYSA-N 0 1 299.827 2.521 20 30 CFEDMN C=C(C)CN1CCCN(C(=O)C2CCC=CCC2)CC1 ZINC000989688514 620386255 /nfs/dbraw/zinc/38/62/55/620386255.db2.gz VQSVRSNOVLHADI-UHFFFAOYSA-N 0 1 276.424 2.843 20 30 CFEDMN C=C(Cl)CN[C@H]1C[C@H](C)N(C(=O)c2ccc(C)cc2)C1 ZINC000989714735 620387664 /nfs/dbraw/zinc/38/76/64/620387664.db2.gz NMFLNMSJWXCQNK-ZFWWWQNUSA-N 0 1 292.810 2.940 20 30 CFEDMN C=CCN1CCCN(C(=O)C2CC(C(C)(C)C)C2)CC1 ZINC000989771106 620391499 /nfs/dbraw/zinc/39/14/99/620391499.db2.gz ZLMMLBQQIOYHBN-UHFFFAOYSA-N 0 1 278.440 2.779 20 30 CFEDMN Cc1cc(COC(=O)[C@@H]2CCCN2C(C)C)ccc1C#N ZINC000923887111 620425588 /nfs/dbraw/zinc/42/55/88/620425588.db2.gz DYIUQEILXHVFQV-INIZCTEOSA-N 0 1 286.375 2.783 20 30 CFEDMN C=CCN1CC[C@@]2(NC(=O)c3cc(C)cs3)CCC[C@@H]12 ZINC000990592900 620433545 /nfs/dbraw/zinc/43/35/45/620433545.db2.gz YVEITBDMLPDQBK-ZBFHGGJFSA-N 0 1 290.432 2.969 20 30 CFEDMN C=CC(C)(C)[NH2+]Cc1ncc(Br)cc1[O-] ZINC000898461399 620467316 /nfs/dbraw/zinc/46/73/16/620467316.db2.gz BQTFKZLCFSOCAI-UHFFFAOYSA-N 0 1 271.158 2.604 20 30 CFEDMN CC(C)N(Cc1cn(-c2cccc(C#N)c2)nn1)C(C)C ZINC000899713057 620594247 /nfs/dbraw/zinc/59/42/47/620594247.db2.gz WOGKULDXLJBBLN-UHFFFAOYSA-N 0 1 283.379 2.758 20 30 CFEDMN Cc1cc(C#N)cc(C)c1C(=O)N1CCN(C)[C@@H](C(C)C)C1 ZINC000899861582 620606779 /nfs/dbraw/zinc/60/67/79/620606779.db2.gz VTDDRCXVRUKBCA-MRXNPFEDSA-N 0 1 299.418 2.587 20 30 CFEDMN C=CC[N@@H+](CC(=O)[O-])C/C(C)=C/c1cccc([N+](=O)[O-])c1 ZINC000901585295 620869802 /nfs/dbraw/zinc/86/98/02/620869802.db2.gz CSSYDPUNYOPPGK-XYOKQWHBSA-N 0 1 290.319 2.571 20 30 CFEDMN Cc1noc(C(C)C)c1NS(=O)(=O)CCC(C)(C)C#N ZINC000901763045 620915674 /nfs/dbraw/zinc/91/56/74/620915674.db2.gz SDQLRSLORMPZFX-UHFFFAOYSA-N 0 1 299.396 2.788 20 30 CFEDMN C#Cc1ccc(C[N@H+]2C[C@H]3CCCC[C@@]3(C(=O)[O-])C2)cc1 ZINC000901917860 620935719 /nfs/dbraw/zinc/93/57/19/620935719.db2.gz MPJPEMWOWHZZHI-SJLPKXTDSA-N 0 1 283.371 2.745 20 30 CFEDMN C=CCCN(C)CN1C[C@H](c2ccc(F)cc2)CC1=O ZINC000902236163 621003906 /nfs/dbraw/zinc/00/39/06/621003906.db2.gz UYJUYSXUGDAHRI-CQSZACIVSA-N 0 1 276.355 2.607 20 30 CFEDMN C#CC[C@@H]1CCC[N@H+](Cc2cc(C(=O)[O-])c(CC)o2)C1 ZINC000902442955 621081536 /nfs/dbraw/zinc/08/15/36/621081536.db2.gz KPFRBXPZBBPFNK-GFCCVEGCSA-N 0 1 275.348 2.776 20 30 CFEDMN C=CCOc1ccccc1C[N@@H+]1C[C@@H](C)[C@H](CC(=O)[O-])C1 ZINC000902556554 621121615 /nfs/dbraw/zinc/12/16/15/621121615.db2.gz LKMAKTWGGHBHGX-UKRRQHHQSA-N 0 1 289.375 2.794 20 30 CFEDMN C=CCCCN(CC)Cn1nc(C)c([N+](=O)[O-])c1C ZINC000902669655 621148678 /nfs/dbraw/zinc/14/86/78/621148678.db2.gz PCKBHHDIACTIET-UHFFFAOYSA-N 0 1 266.345 2.654 20 30 CFEDMN COCc1ccccc1CN[C@@H](C)c1cc(C#N)ccn1 ZINC000902733172 621160792 /nfs/dbraw/zinc/16/07/92/621160792.db2.gz OBPGNIZSXRIMHQ-ZDUSSCGKSA-N 0 1 281.359 2.950 20 30 CFEDMN C[C@@H](N[C@@H](C)COCC(F)(F)F)c1cc(C#N)ccn1 ZINC000902777196 621171065 /nfs/dbraw/zinc/17/10/65/621171065.db2.gz TZTVLNZWWIZMDO-VHSXEESVSA-N 0 1 287.285 2.571 20 30 CFEDMN CC[C@H](NCc1cc(C)ncn1)c1cccc(C#N)c1 ZINC000902888327 621200040 /nfs/dbraw/zinc/20/00/40/621200040.db2.gz SKHLOJXPIPTMFD-INIZCTEOSA-N 0 1 266.348 2.898 20 30 CFEDMN C[C@H](NCC1(C#N)CC1)c1cc(Cl)ccc1O ZINC000903105915 621255306 /nfs/dbraw/zinc/25/53/06/621255306.db2.gz IMXBWZAEUPOANS-VIFPVBQESA-N 0 1 250.729 3.000 20 30 CFEDMN C[C@H]([NH2+]CC1(C#N)CC1)c1cc(Cl)ccc1[O-] ZINC000903105915 621255308 /nfs/dbraw/zinc/25/53/08/621255308.db2.gz IMXBWZAEUPOANS-VIFPVBQESA-N 0 1 250.729 3.000 20 30 CFEDMN C=C[C@H](CO)N[C@@H]1CCCc2c(OC)ccc(Cl)c21 ZINC000903204163 621285208 /nfs/dbraw/zinc/28/52/08/621285208.db2.gz QTKICBABAZESSK-ZWNOBZJWSA-N 0 1 281.783 2.863 20 30 CFEDMN C[C@@H]1CCC[N@@H+](Cc2cc(Cl)cc(C#N)c2)[C@H]1C(=O)[O-] ZINC000903407718 621363160 /nfs/dbraw/zinc/36/31/60/621363160.db2.gz KIKUYZMGLXEYCR-QMTHXVAHSA-N 0 1 292.766 2.897 20 30 CFEDMN N#CC1CCC(C[N@@H+]2CCCC[C@H]2CC(=O)[O-])CC1 ZINC000903408950 621363711 /nfs/dbraw/zinc/36/37/11/621363711.db2.gz OKMNDPRWKGPALV-RUXDESIVSA-N 0 1 264.369 2.646 20 30 CFEDMN Cc1cc(C#N)cc(C)c1C[N@H+]1CCC[C@@H](CC(=O)[O-])C1 ZINC000903401163 621368523 /nfs/dbraw/zinc/36/85/23/621368523.db2.gz CXFMPWYHUJUPIX-AWEZNQCLSA-N 0 1 286.375 2.862 20 30 CFEDMN Cc1cc(C#N)cc(C)c1C[N@H+]1CCCC[C@@H]1C(=O)[O-] ZINC000903402756 621369202 /nfs/dbraw/zinc/36/92/02/621369202.db2.gz WTIGPKNZDGFVRP-OAHLLOKOSA-N 0 1 272.348 2.614 20 30 CFEDMN C=CC[N@H+](CC(=O)[O-])C[C@H]1CCC[C@@H](c2ccccc2)O1 ZINC000903595235 621403764 /nfs/dbraw/zinc/40/37/64/621403764.db2.gz CSSGMQHPUWGHBE-CVEARBPZSA-N 0 1 289.375 2.869 20 30 CFEDMN C[C@]1(C(=O)[O-])CCC[N@H+]1CCCCC1(C#N)CCC1 ZINC000903707611 621423742 /nfs/dbraw/zinc/42/37/42/621423742.db2.gz ZXESBUQZICMSAM-CQSZACIVSA-N 0 1 264.369 2.790 20 30 CFEDMN CCCCCCN(O)C(=O)[C@H]1CCCc2[nH]ncc21 ZINC000904204922 621550712 /nfs/dbraw/zinc/55/07/12/621550712.db2.gz VUBBSWHUONLYFB-NSHDSACASA-N 0 1 265.357 2.628 20 30 CFEDMN CC(C)(Cc1ccc(C#N)cc1)NC(=O)C(F)(F)F ZINC000905007945 621681350 /nfs/dbraw/zinc/68/13/50/621681350.db2.gz DEHYPZZNFFXGDE-UHFFFAOYSA-N 0 1 270.254 2.558 20 30 CFEDMN Cc1nocc1/C=C\C(=O)c1cccc(CN(C)C)c1 ZINC000905078827 621690155 /nfs/dbraw/zinc/69/01/55/621690155.db2.gz WSNMFXNFZUYUFR-FPLPWBNLSA-N 0 1 270.332 2.941 20 30 CFEDMN CC1/C(=C\c2cnc(C3CCC3)s2)C(=O)c2ncnn21 ZINC000905087037 621692973 /nfs/dbraw/zinc/69/29/73/621692973.db2.gz VFIDJDHIGPEABG-ITXLNXHTSA-N 0 1 286.360 2.843 20 30 CFEDMN C=CC[N@@H+](CC(=O)[O-])Cc1ccccc1N1CCCCC1 ZINC000905714598 621826651 /nfs/dbraw/zinc/82/66/51/621826651.db2.gz NXVOUPFQIJTPAZ-UHFFFAOYSA-N 0 1 288.391 2.750 20 30 CFEDMN C=CC[N@H+](CC(=O)[O-])Cc1ccccc1N1CCCCC1 ZINC000905714598 621826655 /nfs/dbraw/zinc/82/66/55/621826655.db2.gz NXVOUPFQIJTPAZ-UHFFFAOYSA-N 0 1 288.391 2.750 20 30 CFEDMN C=CCCCCn1cc(CN(C)C(C)(C)C)nn1 ZINC000905791871 621863202 /nfs/dbraw/zinc/86/32/02/621863202.db2.gz HBBWFYFEWKBGBT-UHFFFAOYSA-N 0 1 250.390 2.865 20 30 CFEDMN CC[C@H](C#N)N(C)C(=O)c1ccc(CN2CCCCC2)o1 ZINC000906007477 621917683 /nfs/dbraw/zinc/91/76/83/621917683.db2.gz VCTYPKXKKAJBMN-CYBMUJFWSA-N 0 1 289.379 2.640 20 30 CFEDMN N#Cc1cc(-c2cnc([C@H]3CCCCN3)nc2)ccc1O ZINC000906170952 621943118 /nfs/dbraw/zinc/94/31/18/621943118.db2.gz PPJFYLLHHMHYGA-CQSZACIVSA-N 0 1 280.331 2.535 20 30 CFEDMN C[C@@H]1CN([C@@H]2C[C@H]2c2cccc(F)c2)C[C@@H](C)N1CC#N ZINC000906590318 622008553 /nfs/dbraw/zinc/00/85/53/622008553.db2.gz OZJRAPLYEJVGFD-UTJXIGIESA-N 0 1 287.382 2.600 20 30 CFEDMN CC(C)(C)C1CCC(C#N)(NC(=O)Cc2cnc[nH]2)CC1 ZINC000907439587 622123031 /nfs/dbraw/zinc/12/30/31/622123031.db2.gz VICPEDSFGWCNRI-UHFFFAOYSA-N 0 1 288.395 2.567 20 30 CFEDMN C[C@H](NC(=O)C(F)(F)c1ccccc1C#N)C(F)(F)F ZINC000908227094 622204060 /nfs/dbraw/zinc/20/40/60/622204060.db2.gz VTYXTVPUADVKGD-ZETCQYMHSA-N 0 1 292.207 2.717 20 30 CFEDMN C=CCCC(=O)[C@@H]1CCCN1C(=O)c1cc(CCC)[nH]n1 ZINC000908645663 622253582 /nfs/dbraw/zinc/25/35/82/622253582.db2.gz LXBFWXWGPMOAHO-AWEZNQCLSA-N 0 1 289.379 2.502 20 30 CFEDMN CCC[C@H](C)CC(=O)[C@H](C#N)C(=O)NC1CCCC1 ZINC000155491361 622271547 /nfs/dbraw/zinc/27/15/47/622271547.db2.gz MNPXKCLYISBIHY-AAEUAGOBSA-N 0 1 264.369 2.580 20 30 CFEDMN C#CCCC[N@H+](C)[C@H](C(=O)[O-])c1cc(F)c(F)c(F)c1 ZINC000833361982 625563401 /nfs/dbraw/zinc/56/34/01/625563401.db2.gz UXADRXWIQVVRIC-ZDUSSCGKSA-N 0 1 285.265 2.575 20 30 CFEDMN CC#CC(=O)N1CCc2nc[nH]c2[C@@H]1c1ccc(Cl)cc1 ZINC000911245928 622514483 /nfs/dbraw/zinc/51/44/83/622514483.db2.gz FKFNYDBIJMXUDQ-INIZCTEOSA-N 0 1 299.761 2.561 20 30 CFEDMN C[C@@H](NN=Cc1ccc(N(C)C)cc1)c1ccncc1 ZINC000819814820 622562284 /nfs/dbraw/zinc/56/22/84/622562284.db2.gz FONBFZJRPNRVGI-CYBMUJFWSA-N 0 1 268.364 2.832 20 30 CFEDMN CCCCCNC(=O)C(C#N)C(=O)[C@@H]1CCCC[C@@H]1C ZINC000819942306 622578745 /nfs/dbraw/zinc/57/87/45/622578745.db2.gz ZAMIVWSIRYBXJJ-BFHYXJOUSA-N 0 1 278.396 2.828 20 30 CFEDMN C[C@@H](OC(=O)c1cc2[nH]cnc2cc1F)C(C)(C)C#N ZINC000820362973 622656750 /nfs/dbraw/zinc/65/67/50/622656750.db2.gz JXZGXANPKWNPFF-MRVPVSSYSA-N 0 1 275.283 2.797 20 30 CFEDMN C=C1CN(C(=O)c2cc(-c3ccc(C)c(C)c3)[nH]n2)C1 ZINC000912448487 622718506 /nfs/dbraw/zinc/71/85/06/622718506.db2.gz VBPUKSSRTXYZOF-UHFFFAOYSA-N 0 1 267.332 2.706 20 30 CFEDMN C=CC1(CC(=O)NCc2n[nH]c(C3CC3)n2)CCCCC1 ZINC000821078503 622842716 /nfs/dbraw/zinc/84/27/16/622842716.db2.gz DGAFTRUGXOCOMY-UHFFFAOYSA-N 0 1 288.395 2.825 20 30 CFEDMN CC#CCN1CC2CCC1(CNC(=O)OC(C)(C)C)CC2 ZINC000821260495 622879199 /nfs/dbraw/zinc/87/91/99/622879199.db2.gz NJLCDCRDUKJRQV-UHFFFAOYSA-N 0 1 292.423 2.779 20 30 CFEDMN C#CCCCC(=O)N1CCc2nc[nH]c2[C@@H]1c1ccccc1 ZINC000913512191 622909220 /nfs/dbraw/zinc/90/92/20/622909220.db2.gz UATQSAIHSVRMKL-SFHVURJKSA-N 0 1 293.370 2.687 20 30 CFEDMN C=C[C@H](CC)CC(=O)NCc1ccc2nc[nH]c2c1 ZINC000821380494 622909738 /nfs/dbraw/zinc/90/97/38/622909738.db2.gz AHAGDNBLNBZTKR-LLVKDONJSA-N 0 1 257.337 2.781 20 30 CFEDMN C=CCc1cc(OC)cc(CN2C[C@@H](C)OC[C@H]2C)c1O ZINC000163954253 622932290 /nfs/dbraw/zinc/93/22/90/622932290.db2.gz NTEMIHIAWOEURC-CHWSQXEVSA-N 0 1 291.391 2.739 20 30 CFEDMN C=CCc1cc(OC)cc(CN2CCOC[C@H]2CC)c1O ZINC000164359167 622949844 /nfs/dbraw/zinc/94/98/44/622949844.db2.gz CHQCNZYHGDJQTL-OAHLLOKOSA-N 0 1 291.391 2.740 20 30 CFEDMN C=C[C@H](CC)CC(=O)N1CCN([C@H](C)CC)CC1 ZINC000821848485 622993025 /nfs/dbraw/zinc/99/30/25/622993025.db2.gz STKQSHUCOVHDOG-ZIAGYGMSSA-N 0 1 252.402 2.531 20 30 CFEDMN C=C[C@@H](CC)CC(=O)N(C)[C@@H](c1nnc[nH]1)c1ccccc1 ZINC000822190701 623057839 /nfs/dbraw/zinc/05/78/39/623057839.db2.gz KHIHVXSQOKWMIZ-XJKSGUPXSA-N 0 1 298.390 2.955 20 30 CFEDMN CN(Cc1ccccc1C#N)C[C@](C)(O)c1ccccc1 ZINC000822517269 623119502 /nfs/dbraw/zinc/11/95/02/623119502.db2.gz WBUNWOWMPRJRCN-SFHVURJKSA-N 0 1 280.371 2.898 20 30 CFEDMN C#CCCCOC(=O)c1cc(-c2ccc(C)o2)n[nH]1 ZINC000170711804 623174412 /nfs/dbraw/zinc/17/44/12/623174412.db2.gz UKPYPVRDEUMOSQ-UHFFFAOYSA-N 0 1 258.277 2.548 20 30 CFEDMN C#C[C@@H](CC)NCc1ccccc1Br ZINC000229517911 623209828 /nfs/dbraw/zinc/20/98/28/623209828.db2.gz WUSIMWHSRUZRAX-NSHDSACASA-N 0 1 252.155 2.951 20 30 CFEDMN N#CC(C(=O)CSC[C@@H]1CCCCO1)c1ccccn1 ZINC000171364289 623219282 /nfs/dbraw/zinc/21/92/82/623219282.db2.gz STRIWTKEWCDQPO-QWHCGFSZSA-N 0 1 290.388 2.560 20 30 CFEDMN CCCCCCCCN(CC)[C@@H]1CCS(=O)(=O)C1 ZINC000172649054 623296390 /nfs/dbraw/zinc/29/63/90/623296390.db2.gz MOBZVXUOLNYADE-CQSZACIVSA-N 0 1 275.458 2.856 20 30 CFEDMN CN(CC#Cc1ccccc1)C[C@@](C)(O)c1ccccc1 ZINC000823604400 623357555 /nfs/dbraw/zinc/35/75/55/623357555.db2.gz CKUMRABADAXKHG-LJQANCHMSA-N 0 1 279.383 2.878 20 30 CFEDMN CCC[C@@H](C)C(=O)C(C#N)C(=O)Nc1ccccc1OC ZINC000173977514 623378973 /nfs/dbraw/zinc/37/89/73/623378973.db2.gz LDQSXOCDTUADJP-NEPJUHHUSA-N 0 1 288.347 2.779 20 30 CFEDMN C=C(Cl)CNC[C@@H]1CCCN1C(=O)OC(C)(C)C ZINC000232503984 623419986 /nfs/dbraw/zinc/41/99/86/623419986.db2.gz WHWVVEGNGIWBHX-NSHDSACASA-N 0 1 274.792 2.728 20 30 CFEDMN C#CCC1(C(=O)O[C@@H](C)c2n[nH]c(C)n2)CCCCC1 ZINC000840483918 623429950 /nfs/dbraw/zinc/42/99/50/623429950.db2.gz FMFPKFUWHBPILF-NSHDSACASA-N 0 1 275.352 2.691 20 30 CFEDMN CCCCCNC(=O)C(C#N)C(=O)C[C@@H]1CC[C@H](C)C1 ZINC000151545796 623486804 /nfs/dbraw/zinc/48/68/04/623486804.db2.gz PIOBXNKQSZKSIL-BFHYXJOUSA-N 0 1 278.396 2.828 20 30 CFEDMN C#C[C@@H](NCc1cc2c(cc1OC)C[C@@H](C)O2)C(C)C ZINC000312163674 623497426 /nfs/dbraw/zinc/49/74/26/623497426.db2.gz WQCMZZSPIZAIPN-IUODEOHRSA-N 0 1 273.376 2.766 20 30 CFEDMN CC(C)(C)C[C@@H]1CCC[N@H+]1Cn1cccc(C#N)c1=O ZINC000758203914 623502363 /nfs/dbraw/zinc/50/23/63/623502363.db2.gz NDVXIUMTECPTSW-AWEZNQCLSA-N 0 1 273.380 2.578 20 30 CFEDMN CC(C)(C)C[C@@H]1CCCN1Cn1cccc(C#N)c1=O ZINC000758203914 623502368 /nfs/dbraw/zinc/50/23/68/623502368.db2.gz NDVXIUMTECPTSW-AWEZNQCLSA-N 0 1 273.380 2.578 20 30 CFEDMN C=C[C@@H]1OCCC[C@H]1[NH2+]Cc1cc(Cl)ccc1[O-] ZINC000824953389 623594004 /nfs/dbraw/zinc/59/40/04/623594004.db2.gz JALOWDGHZUMBNO-OCCSQVGLSA-N 0 1 267.756 2.869 20 30 CFEDMN CCCC(CC)N=Nc1oc(C(C)C)nc1-c1nn[nH]n1 ZINC000825232278 623654839 /nfs/dbraw/zinc/65/48/39/623654839.db2.gz FTLFUTRPFNLAQU-UHFFFAOYSA-N 0 1 291.359 2.956 20 30 CFEDMN Cc1ccc([C@@H](CNC(=O)C#CC(C)C)N2CCCC2)o1 ZINC000825279224 623663281 /nfs/dbraw/zinc/66/32/81/623663281.db2.gz SCKMYFPOXZITBD-OAHLLOKOSA-N 0 1 288.391 2.501 20 30 CFEDMN CC(C)CC1CCN(CC(=O)N[C@](C)(C#N)C2CC2)CC1 ZINC000760927728 623695955 /nfs/dbraw/zinc/69/59/55/623695955.db2.gz UCUANQALVQRBJN-QGZVFWFLSA-N 0 1 291.439 2.553 20 30 CFEDMN CCn1nccc1/C=C/C(=O)c1ccc(OC)cc1O ZINC000152668170 623750668 /nfs/dbraw/zinc/75/06/68/623750668.db2.gz WUXITDJPMLANTM-QPJJXVBHSA-N 0 1 272.304 2.513 20 30 CFEDMN C#C[C@@H](NCc1c(C(F)(F)F)cnn1C)C(C)(C)C ZINC000825940143 623772366 /nfs/dbraw/zinc/77/23/66/623772366.db2.gz NQEUUSZQOVMFMP-LLVKDONJSA-N 0 1 273.302 2.576 20 30 CFEDMN C#C[C@H]1CCC[N@H+](Cc2ccc(Br)cc2O)C1 ZINC000826533975 623807666 /nfs/dbraw/zinc/80/76/66/623807666.db2.gz BPPVNOQZPATKDE-NSHDSACASA-N 0 1 294.192 3.000 20 30 CFEDMN C#C[C@H]1CCC[N@@H+](Cc2ccc(Br)cc2[O-])C1 ZINC000826533975 623807674 /nfs/dbraw/zinc/80/76/74/623807674.db2.gz BPPVNOQZPATKDE-NSHDSACASA-N 0 1 294.192 3.000 20 30 CFEDMN C#C[C@H]1CCC[N@H+](Cc2ccc(Br)cc2[O-])C1 ZINC000826533975 623807682 /nfs/dbraw/zinc/80/76/82/623807682.db2.gz BPPVNOQZPATKDE-NSHDSACASA-N 0 1 294.192 3.000 20 30 CFEDMN N#Cc1ccc(O)c(NC(=O)c2cc3c([nH]2)CCCC3)c1 ZINC000826604891 623823095 /nfs/dbraw/zinc/82/30/95/623823095.db2.gz SBQREWRFPMDBOD-UHFFFAOYSA-N 0 1 281.315 2.723 20 30 CFEDMN C=C(C)C[N@@H+]1CCC[C@@H](NC(=O)Cc2cccs2)[C@@H]1C ZINC000992981476 623827631 /nfs/dbraw/zinc/82/76/31/623827631.db2.gz LEISEDVGJGPFTG-DZGCQCFKSA-N 0 1 292.448 2.836 20 30 CFEDMN C#CC[N@@H+]1CCC[C@@H](NC(=O)CC2CCCCC2)[C@H]1C ZINC000993006968 623840070 /nfs/dbraw/zinc/84/00/70/623840070.db2.gz VZOUEZSLXAMKCA-GDBMZVCRSA-N 0 1 276.424 2.559 20 30 CFEDMN C#CCN1CCC[C@@H](NC(=O)CC2CCCCC2)[C@H]1C ZINC000993006968 623840080 /nfs/dbraw/zinc/84/00/80/623840080.db2.gz VZOUEZSLXAMKCA-GDBMZVCRSA-N 0 1 276.424 2.559 20 30 CFEDMN C#CC1CCN(c2cc[nH+]c3c([O-])cccc23)CC1 ZINC000826710407 623851886 /nfs/dbraw/zinc/85/18/86/623851886.db2.gz LPIGNOWQKQEEKW-UHFFFAOYSA-N 0 1 252.317 2.790 20 30 CFEDMN C=C(C)C[N@@H+]1CCC[C@@H](NC(=O)c2ccccc2O)[C@H]1C ZINC000993073190 623888402 /nfs/dbraw/zinc/88/84/02/623888402.db2.gz QCOCLJYNTYMZOC-UKRRQHHQSA-N 0 1 288.391 2.551 20 30 CFEDMN C=CCC(F)(F)C(=O)Nc1cc(C(F)(F)F)n[nH]1 ZINC000826971099 623916584 /nfs/dbraw/zinc/91/65/84/623916584.db2.gz VFXCIURJSLHJHI-UHFFFAOYSA-N 0 1 269.173 2.578 20 30 CFEDMN N#CCC1CN(Cc2cccc(Br)c2O)C1 ZINC000826990863 623920047 /nfs/dbraw/zinc/92/00/47/623920047.db2.gz OWZKYKUWARPSOP-UHFFFAOYSA-N 0 1 281.153 2.500 20 30 CFEDMN C#C[C@H](NCc1nn(CC)c2ccccc12)C1CCOCC1 ZINC000827560513 624032318 /nfs/dbraw/zinc/03/23/18/624032318.db2.gz QUWVVHCWHDJLDK-INIZCTEOSA-N 0 1 297.402 2.574 20 30 CFEDMN C#C[C@H](NCc1cc(F)c(F)cc1F)C1CCOCC1 ZINC000827565435 624033663 /nfs/dbraw/zinc/03/36/63/624033663.db2.gz LZKMLVIGZDYKSR-HNNXBMFYSA-N 0 1 283.293 2.622 20 30 CFEDMN C#C[C@H](NCc1nc2ccccc2n1CC)C1CCOCC1 ZINC000827570795 624036600 /nfs/dbraw/zinc/03/66/00/624036600.db2.gz QVXBDGNMBWWZOW-HNNXBMFYSA-N 0 1 297.402 2.574 20 30 CFEDMN CCCCc1nc(C=NOC[C@@H]2CCOC2)c(Cl)[nH]1 ZINC000788040781 624047582 /nfs/dbraw/zinc/04/75/82/624047582.db2.gz ZKJXEIPZFISGGP-SNVBAGLBSA-N 0 1 285.775 2.793 20 30 CFEDMN C=CCN1CCC[C@H](NC(=O)c2c(C)coc2C)[C@H]1C ZINC000993281108 624061103 /nfs/dbraw/zinc/06/11/03/624061103.db2.gz ORDKDCWHEWTRFJ-OCCSQVGLSA-N 0 1 276.380 2.665 20 30 CFEDMN C#CCCN(CCOC)Cc1ccc([C@H]2C[C@H]2C)o1 ZINC000827823589 624103572 /nfs/dbraw/zinc/10/35/72/624103572.db2.gz QQSZUQOQXMSTAO-HIFRSBDPSA-N 0 1 261.365 2.875 20 30 CFEDMN CC(C)N1CCC[C@H]1C(=O)Nc1cc(F)cc(C#N)c1 ZINC000827860356 624113684 /nfs/dbraw/zinc/11/36/84/624113684.db2.gz XFAXUNDJZZGIEW-AWEZNQCLSA-N 0 1 275.327 2.509 20 30 CFEDMN CN(Cc1ccncc1C#N)[C@@H]1CCc2ccccc2C1 ZINC000827925137 624128966 /nfs/dbraw/zinc/12/89/66/624128966.db2.gz PVJOJSCVUHHFHY-GOSISDBHSA-N 0 1 277.371 2.943 20 30 CFEDMN Oc1ccc(Cl)cc1/C=N\CCN1CCSCC1 ZINC000732714060 624129589 /nfs/dbraw/zinc/12/95/89/624129589.db2.gz QSYXSUTZNJAJRP-GDNBJRDFSA-N 0 1 284.812 2.513 20 30 CFEDMN C=CCN1CCC[C@H](NC(=O)c2[nH]ccc2C2CC2)[C@H]1C ZINC000993410678 624135864 /nfs/dbraw/zinc/13/58/64/624135864.db2.gz PBHXTXZKXSJIOT-DOMZBBRYSA-N 0 1 287.407 2.661 20 30 CFEDMN C=CCN1CCC[C@@H](NC(=O)c2conc2C(C)C)[C@H]1C ZINC000993419857 624139633 /nfs/dbraw/zinc/13/96/33/624139633.db2.gz WWFBXEMFDUWWFM-TZMCWYRMSA-N 0 1 291.395 2.567 20 30 CFEDMN C=CCN1CCC[C@@H](NC(=O)c2c(C)oc(C)c2C)[C@@H]1C ZINC000993581420 624151116 /nfs/dbraw/zinc/15/11/16/624151116.db2.gz CCRQOYBBODDFIU-SWLSCSKDSA-N 0 1 290.407 2.974 20 30 CFEDMN C=CCN1CCC[C@@H](NC(=O)c2cc3cnccc3o2)[C@@H]1C ZINC000993537291 624151171 /nfs/dbraw/zinc/15/11/71/624151171.db2.gz NCPGFPWNVYMMJH-GXTWGEPZSA-N 0 1 299.374 2.597 20 30 CFEDMN CC#CCN1CCC[C@@H](NC(=O)Cc2ccc(C)cc2)[C@@H]1C ZINC000993551742 624151813 /nfs/dbraw/zinc/15/18/13/624151813.db2.gz CVALROAJTHJEIT-FUHWJXTLSA-N 0 1 298.430 2.530 20 30 CFEDMN C#Cc1ccc(CN2Cc3cnn(C)c3CC(C)(C)C2)cc1 ZINC000828018052 624154600 /nfs/dbraw/zinc/15/46/00/624154600.db2.gz DBMMMWHMANSCTI-UHFFFAOYSA-N 0 1 293.414 2.986 20 30 CFEDMN C=CCN1CCC[C@H](NC(=O)c2nccc3occc32)[C@@H]1C ZINC000993619613 624154883 /nfs/dbraw/zinc/15/48/83/624154883.db2.gz GZRLMTYZICWVAH-JSGCOSHPSA-N 0 1 299.374 2.597 20 30 CFEDMN C=CCN1CCC[C@H](NC(=O)C2(C)CCCC2)[C@@H]1C ZINC000993654213 624156216 /nfs/dbraw/zinc/15/62/16/624156216.db2.gz LYFCNLPACMCWTO-KBPBESRZSA-N 0 1 264.413 2.722 20 30 CFEDMN C=CCN1CCC[C@@H](NC(=O)c2cc(F)ccc2C)[C@H]1C ZINC000993654309 624156315 /nfs/dbraw/zinc/15/63/15/624156315.db2.gz FLTBBBJQOYFOQY-CZUORRHYSA-N 0 1 290.382 2.903 20 30 CFEDMN C=CCN1CCC[C@H](NC(=O)C2(C)CCCC2)[C@H]1C ZINC000993654215 624156728 /nfs/dbraw/zinc/15/67/28/624156728.db2.gz LYFCNLPACMCWTO-KGLIPLIRSA-N 0 1 264.413 2.722 20 30 CFEDMN C=CCN1CCC[C@H](NC(=O)c2cc(C(C)C)on2)[C@@H]1C ZINC000993670374 624157835 /nfs/dbraw/zinc/15/78/35/624157835.db2.gz SLKOFCYILOKPJM-STQMWFEESA-N 0 1 291.395 2.567 20 30 CFEDMN C=CCN1CCC[C@@H](NC(=O)c2cc[nH]c2C2CC2)[C@H]1C ZINC000993710240 624159528 /nfs/dbraw/zinc/15/95/28/624159528.db2.gz GMSNKKJLLBBZGC-IUODEOHRSA-N 0 1 287.407 2.661 20 30 CFEDMN C=CCN1CCC[C@@H](NC(=O)c2cccc(F)c2F)[C@@H]1C ZINC000993715966 624161267 /nfs/dbraw/zinc/16/12/67/624161267.db2.gz NDBJIJGPHNTKGY-SMDDNHRTSA-N 0 1 294.345 2.734 20 30 CFEDMN C=CCN1CCC[C@H](NC(=O)c2occc2Cl)[C@H]1C ZINC000993769595 624167513 /nfs/dbraw/zinc/16/75/13/624167513.db2.gz DGSBODBIDGSZIM-PWSUYJOCSA-N 0 1 282.771 2.702 20 30 CFEDMN C=CCN1CCC[C@@H](NC(=O)c2cncc(Cl)c2)[C@H]1C ZINC000994011726 624177216 /nfs/dbraw/zinc/17/72/16/624177216.db2.gz UODOLEFOAGWUMI-BXUZGUMPSA-N 0 1 293.798 2.504 20 30 CFEDMN C=CCN1CCC[C@H](NC(=O)c2cc(C)c(CC)o2)[C@@H]1C ZINC000994209679 624183400 /nfs/dbraw/zinc/18/34/00/624183400.db2.gz NYZVWTKOIFGSJP-KBPBESRZSA-N 0 1 290.407 2.919 20 30 CFEDMN C[C@H]1C[C@@H]1c1ccc(C=NNCCN2CCCCC2)o1 ZINC000915974573 624199988 /nfs/dbraw/zinc/19/99/88/624199988.db2.gz INYQRFWUIMYQDJ-ZFWWWQNUSA-N 0 1 275.396 2.812 20 30 CFEDMN Cc1ccsc1C=Nn1c(=S)[nH]nc1C(F)(F)F ZINC000916305362 624238252 /nfs/dbraw/zinc/23/82/52/624238252.db2.gz PSEPXDUVNFLXJD-UHFFFAOYSA-N 0 1 292.311 2.838 20 30 CFEDMN COc1cc2c(cc1C=NNc1ccccn1)O[C@@H](C)C2 ZINC000916541335 624252380 /nfs/dbraw/zinc/25/23/80/624252380.db2.gz PYCCVXNKJQNLBU-NSHDSACASA-N 0 1 283.331 2.860 20 30 CFEDMN N#Cc1cc2ccccc2nc1NCc1n[nH]c(C2CC2)n1 ZINC000828515182 624260175 /nfs/dbraw/zinc/26/01/75/624260175.db2.gz BFBDANIYEAEYNO-UHFFFAOYSA-N 0 1 290.330 2.714 20 30 CFEDMN CCOCC(=O)C(C#N)c1nc2ccccc2s1 ZINC000916627214 624266383 /nfs/dbraw/zinc/26/63/83/624266383.db2.gz GQYNVSNMMXMSIG-SECBINFHSA-N 0 1 260.318 2.509 20 30 CFEDMN C=CCN1CCC[C@@H](NC(=O)c2ccc(C3CC3)cn2)[C@@H]1C ZINC000994324246 624276245 /nfs/dbraw/zinc/27/62/45/624276245.db2.gz FORCUONBZBXCMM-XJKSGUPXSA-N 0 1 299.418 2.728 20 30 CFEDMN C#CCN1CCC[C@H](NC(=O)c2c(C)cc(C)cc2C)[C@@H]1C ZINC000994360531 624276836 /nfs/dbraw/zinc/27/68/36/624276836.db2.gz AWLSQVYCMWXOJX-IRXDYDNUSA-N 0 1 298.430 2.828 20 30 CFEDMN C#CCC[N@@H+]1CCC[C@H](NC(=O)c2ccc(C)cc2C)[C@@H]1C ZINC000994358350 624278462 /nfs/dbraw/zinc/27/84/62/624278462.db2.gz ZZVIZKJMKUENMI-WMZOPIPTSA-N 0 1 298.430 2.909 20 30 CFEDMN C=CCN1CCC[C@H](NC(=O)c2cccn2C(C)C)[C@@H]1C ZINC000994427034 624294618 /nfs/dbraw/zinc/29/46/18/624294618.db2.gz UQJZITTZDKLTLV-GJZGRUSLSA-N 0 1 289.423 2.838 20 30 CFEDMN CC#CCN1CCC[C@@H](NC(=O)C2CCC=CCC2)[C@@H]1C ZINC000994452272 624302299 /nfs/dbraw/zinc/30/22/99/624302299.db2.gz PIEUFZROJDACEH-DOTOQJQBSA-N 0 1 288.435 2.725 20 30 CFEDMN C#CCNC(=O)CN1CCC[C@@H]1c1ccc(C(C)(C)C)cc1 ZINC000917063289 624304514 /nfs/dbraw/zinc/30/45/14/624304514.db2.gz MTJIGLLTAAZNOW-QGZVFWFLSA-N 0 1 298.430 2.870 20 30 CFEDMN C=CCN(CC(=O)N[C@H](C)c1cccs1)C(C)C ZINC000917070812 624307961 /nfs/dbraw/zinc/30/79/61/624307961.db2.gz GELRVFOFKPUSLP-GFCCVEGCSA-N 0 1 266.410 2.822 20 30 CFEDMN C=CCN1CCC[C@H](NC(=O)c2c(C)cccc2F)[C@H]1C ZINC000994515211 624325101 /nfs/dbraw/zinc/32/51/01/624325101.db2.gz CBSZWWRYOIIFAD-HIFRSBDPSA-N 0 1 290.382 2.903 20 30 CFEDMN CCc1ccc(C(C)=NNc2ncnc3nc[nH]c32)s1 ZINC000917555772 624359662 /nfs/dbraw/zinc/35/96/62/624359662.db2.gz OMGSWFHAOWNQIC-UHFFFAOYSA-N 0 1 286.364 2.813 20 30 CFEDMN C[C@@H](O)[C@@H]1CCCN(Cc2cc(Cl)cc(C#N)c2)C1 ZINC000930059819 624526014 /nfs/dbraw/zinc/52/60/14/624526014.db2.gz GOSDIAVCKXBOEM-BXUZGUMPSA-N 0 1 278.783 2.804 20 30 CFEDMN C#CC[C@@H]1CCCN(Cc2nnc(-c3ccco3)o2)C1 ZINC000829768565 624527159 /nfs/dbraw/zinc/52/71/59/624527159.db2.gz GEDHUZRSRQTULY-GFCCVEGCSA-N 0 1 271.320 2.565 20 30 CFEDMN C#CC[C@H]1CCCN(Cc2ccsc2C(=O)OC)C1 ZINC000829784689 624536635 /nfs/dbraw/zinc/53/66/35/624536635.db2.gz LPDAPPWLBRSLBB-LBPRGKRZSA-N 0 1 277.389 2.770 20 30 CFEDMN Cc1ccc2nc([C@@H]3CCCN3CCO[C@@H](C)C#N)[nH]c2c1 ZINC000829868932 624572815 /nfs/dbraw/zinc/57/28/15/624572815.db2.gz VTAGOGPHUSARND-BBRMVZONSA-N 0 1 298.390 2.937 20 30 CFEDMN N#CC[C@]1(O)CCN([C@H]2CCc3cc(Cl)ccc32)C1 ZINC000829998026 624597041 /nfs/dbraw/zinc/59/70/41/624597041.db2.gz GOCJNFUVYPFFHE-GJZGRUSLSA-N 0 1 276.767 2.678 20 30 CFEDMN C#CC1CCN([C@@H](C)C(=O)Nc2ccccc2C)CC1 ZINC000830306006 624704424 /nfs/dbraw/zinc/70/44/24/624704424.db2.gz ZMQFBZZUZBWGLY-AWEZNQCLSA-N 0 1 270.376 2.667 20 30 CFEDMN C#CC1CCN(Cc2nc(C)c3ccccc3n2)CC1 ZINC000830338065 624713575 /nfs/dbraw/zinc/71/35/75/624713575.db2.gz PZVCXVGYIRVXQH-UHFFFAOYSA-N 0 1 265.360 2.783 20 30 CFEDMN CC(C)(C)c1ncc(C=NNCCN2CCCCC2)s1 ZINC000920375767 624716176 /nfs/dbraw/zinc/71/61/76/624716176.db2.gz YDCLOVIBJQOVMO-UHFFFAOYSA-N 0 1 294.468 2.850 20 30 CFEDMN Fc1cccc2c1CCC2=NNCCN1CCCCC1 ZINC000921258146 624831381 /nfs/dbraw/zinc/83/13/81/624831381.db2.gz MTEXXXMVVGCCQI-UHFFFAOYSA-N 0 1 275.371 2.552 20 30 CFEDMN Fc1cc(C=NNc2ncnc3nc[nH]c32)ccc1Cl ZINC000921258587 624831955 /nfs/dbraw/zinc/83/19/55/624831955.db2.gz XRDFAPYVJWJJOT-UHFFFAOYSA-N 0 1 290.689 2.591 20 30 CFEDMN Cc1ccc2c(c1)CCC2=NNCCN1CCCCC1 ZINC000921258357 624831980 /nfs/dbraw/zinc/83/19/80/624831980.db2.gz RROUTHKTVDTSHF-UHFFFAOYSA-N 0 1 271.408 2.721 20 30 CFEDMN C[N@@H+](Cc1ccc(C#N)cc1)[C@@H](C(=O)[O-])c1ccccc1F ZINC000830811194 624882551 /nfs/dbraw/zinc/88/25/51/624882551.db2.gz RRUIZELQFMXKNO-MRXNPFEDSA-N 0 1 298.317 2.955 20 30 CFEDMN C=C1CCC(CNC(=O)[C@@H]2c3cn[nH]c3CC[C@@H]2C)CC1 ZINC000830980882 624945805 /nfs/dbraw/zinc/94/58/05/624945805.db2.gz ZROZJCUATMXZGO-LRDDRELGSA-N 0 1 287.407 2.938 20 30 CFEDMN Cc1nn(C)cc1C(=O)/C=C/c1cc(F)c(O)c(F)c1 ZINC000175324789 624947794 /nfs/dbraw/zinc/94/77/94/624947794.db2.gz ZBBZMKDXHAQMOF-ONEGZZNKSA-N 0 1 278.258 2.608 20 30 CFEDMN CCCCCCCCNC(=O)[C@H]1CCCc2n[nH]nc21 ZINC000831172543 624968457 /nfs/dbraw/zinc/96/84/57/624968457.db2.gz KTMJTQUNVYSCDD-LBPRGKRZSA-N 0 1 278.400 2.701 20 30 CFEDMN Cc1cccc(CNCc2ccc(O[C@@H](C)C#N)cc2)n1 ZINC000237702465 624971525 /nfs/dbraw/zinc/97/15/25/624971525.db2.gz CZPHORTVQQFBIY-AWEZNQCLSA-N 0 1 281.359 2.971 20 30 CFEDMN N#Cc1ccc(O)c(NC(=O)C(C2CC2)C2CC2)c1 ZINC000179731587 624975226 /nfs/dbraw/zinc/97/52/26/624975226.db2.gz DWWZCZUTFBEEAP-UHFFFAOYSA-N 0 1 256.305 2.639 20 30 CFEDMN CCc1nn(C)cc1/C=C/C(=O)c1ccc(O)c(F)c1 ZINC000179741327 624976038 /nfs/dbraw/zinc/97/60/38/624976038.db2.gz BYADOOSWIGUTOC-AATRIKPKSA-N 0 1 274.295 2.723 20 30 CFEDMN CCCCCCCN1CCCC[C@@H]1CS(C)(=O)=O ZINC000831782068 625123679 /nfs/dbraw/zinc/12/36/79/625123679.db2.gz BAJMITKKCXMEFG-CQSZACIVSA-N 0 1 275.458 2.856 20 30 CFEDMN C=C(Cl)CN[C@H]1CN(C(=O)/C=C(/C)C2CC2)CC1(C)C ZINC000995506018 625730531 /nfs/dbraw/zinc/73/05/31/625730531.db2.gz REOXYGXXCJXEAF-JOHMGYAOSA-N 0 1 296.842 2.922 20 30 CFEDMN C=C(Cl)CN[C@@H]1CN(C(=O)/C=C/C2CC2)CC1(C)C ZINC000995601254 625743095 /nfs/dbraw/zinc/74/30/95/625743095.db2.gz UYYJAOWJOOWNGC-KTRBRXNASA-N 0 1 282.815 2.532 20 30 CFEDMN C=C(Cl)CN[C@@H]1CN(C(=O)C(F)=C(C)C)CC1(C)C ZINC000995659169 625766039 /nfs/dbraw/zinc/76/60/39/625766039.db2.gz JOIBDMGGRPVRPZ-LLVKDONJSA-N 0 1 288.794 2.829 20 30 CFEDMN CCCCCCNC(=O)C(C#N)C(=O)[C@@H](C)C(C)C ZINC000073088140 625772708 /nfs/dbraw/zinc/77/27/08/625772708.db2.gz YBHWUMJFPIMTGC-STQMWFEESA-N 0 1 266.385 2.684 20 30 CFEDMN C=C(Cl)CN[C@H]1CN(C(=O)CC(C)(F)F)CC1(C)C ZINC000996244081 625886620 /nfs/dbraw/zinc/88/66/20/625886620.db2.gz FNDSHQSLLZWMPW-JTQLQIEISA-N 0 1 294.773 2.611 20 30 CFEDMN Cc1n[nH]cc1CN=Nc1ccc(F)c(F)c1F ZINC000814946311 625928939 /nfs/dbraw/zinc/92/89/39/625928939.db2.gz JORIXNHGWLHQNM-UHFFFAOYSA-N 0 1 254.215 2.581 20 30 CFEDMN Cc1cccc(C=NNCCN2CCCCC2)c1F ZINC000834941904 625930121 /nfs/dbraw/zinc/93/01/21/625930121.db2.gz FMTMPHKZYCYCEG-UHFFFAOYSA-N 0 1 263.360 2.544 20 30 CFEDMN C#C[C@H](C)N(C)Cc1cc(Cl)c2c(c1)OCCO2 ZINC000769963579 625934422 /nfs/dbraw/zinc/93/44/22/625934422.db2.gz WUNCGLQYYUQFFS-JTQLQIEISA-N 0 1 265.740 2.565 20 30 CFEDMN Nc1ccc2c(c1)CCCC2=NOCc1cccnc1 ZINC000834965595 625935411 /nfs/dbraw/zinc/93/54/11/625935411.db2.gz DYGYYGDYOVXDSE-UHFFFAOYSA-N 0 1 267.332 2.921 20 30 CFEDMN C[C@@H](COc1ccccc1)NN=C1CCc2cc(N)ccc21 ZINC000834978566 625943013 /nfs/dbraw/zinc/94/30/13/625943013.db2.gz IGRIBVIUXUISAS-ZDUSSCGKSA-N 0 1 295.386 2.976 20 30 CFEDMN CC(C)OCCON=C1CCCc2cc(N)ccc21 ZINC000834979276 625943753 /nfs/dbraw/zinc/94/37/53/625943753.db2.gz MALGOWLORPUDKV-UHFFFAOYSA-N 0 1 262.353 2.751 20 30 CFEDMN CC(C)ON=Cc1cccc(Br)c1O ZINC000835004116 625952663 /nfs/dbraw/zinc/95/26/63/625952663.db2.gz HJUFBHWQZXUZEQ-UHFFFAOYSA-N 0 1 258.115 2.914 20 30 CFEDMN CC(C)[N@@H+]1CC(N=Nc2ccc(C(=O)[O-])cc2F)[C@H](C)C1 ZINC000835012651 625958644 /nfs/dbraw/zinc/95/86/44/625958644.db2.gz RORXRBNCYMNCKF-SNVBAGLBSA-N 0 1 293.342 2.652 20 30 CFEDMN CC1(C)OCC[C@@H]1NN=Cc1cccc(Cl)c1O ZINC000835017231 625963005 /nfs/dbraw/zinc/96/30/05/625963005.db2.gz LJXVPXGJMKZDJT-NSHDSACASA-N 0 1 268.744 2.537 20 30 CFEDMN N#C[C@@H](NC(=O)c1ccc(O)c(Cl)c1)C1CCCC1 ZINC000921538147 625980717 /nfs/dbraw/zinc/98/07/17/625980717.db2.gz AEOYRCSAGSLRCX-GFCCVEGCSA-N 0 1 278.739 2.858 20 30 CFEDMN C=CCN1CC[C@H](NC(=O)C[C@@H]2CCc3ccccc3C2)C1 ZINC001016101097 626040503 /nfs/dbraw/zinc/04/05/03/626040503.db2.gz NNKHRYVYWMMLMG-QAPCUYQASA-N 0 1 298.430 2.558 20 30 CFEDMN C=C(Cl)CN[C@H]1CCCN(C(=O)c2cccc(C)c2)C1 ZINC000998441211 626051057 /nfs/dbraw/zinc/05/10/57/626051057.db2.gz RTUWAOHBPQBTCE-HNNXBMFYSA-N 0 1 292.810 2.942 20 30 CFEDMN C=C(Cl)CN[C@H]1CCCN(C(=O)[C@@H]2CC=CCC2)C1 ZINC000998506205 626053908 /nfs/dbraw/zinc/05/39/08/626053908.db2.gz NDVQHVLENMWLDZ-KGLIPLIRSA-N 0 1 282.815 2.676 20 30 CFEDMN C=C(Cl)CN[C@H]1CCCN(C(=O)c2cc(C)oc2C)C1 ZINC000998505860 626054083 /nfs/dbraw/zinc/05/40/83/626054083.db2.gz LUYIKWIKBSCBIX-ZDUSSCGKSA-N 0 1 296.798 2.843 20 30 CFEDMN C=C(Cl)CN[C@@H]1CCCN(C(=O)C2CC3(CC3)C2)C1 ZINC001000162955 626091439 /nfs/dbraw/zinc/09/14/39/626091439.db2.gz VZIJIFYCLAFUEM-CYBMUJFWSA-N 0 1 282.815 2.510 20 30 CFEDMN Cc1ncc2c(n1)CCC[C@H]2NCc1csc(C#N)c1 ZINC000921749288 626105909 /nfs/dbraw/zinc/10/59/09/626105909.db2.gz NTNMGHPXCCHGGB-CQSZACIVSA-N 0 1 284.388 2.885 20 30 CFEDMN C#CCN1CC=C(CNC(=O)[C@@H]2CCC=CCCC2)CC1 ZINC001000841395 626132211 /nfs/dbraw/zinc/13/22/11/626132211.db2.gz MZKBIMDQXZUQFK-QGZVFWFLSA-N 0 1 286.419 2.504 20 30 CFEDMN C=CCCC[C@@H](C)NC(=O)NCc1cc(N(C)C)ccn1 ZINC000921818440 626142299 /nfs/dbraw/zinc/14/22/99/626142299.db2.gz ZUORCXFIBFDVHD-CYBMUJFWSA-N 0 1 290.411 2.692 20 30 CFEDMN C=CC[N@@H+]1CC=C(CNC(=O)C2CC(C(C)(C)C)C2)CC1 ZINC001001485404 626159646 /nfs/dbraw/zinc/15/96/46/626159646.db2.gz YGZKLRODAIJOJI-UHFFFAOYSA-N 0 1 290.451 2.993 20 30 CFEDMN C=C(C)COCCNCc1c(Cl)n[nH]c1C1CC1 ZINC000921846885 626163412 /nfs/dbraw/zinc/16/34/12/626163412.db2.gz GXKBFRCSDHVDMZ-UHFFFAOYSA-N 0 1 269.776 2.623 20 30 CFEDMN CC#CCN1CCC(NC(=O)CC2CCCCC2)CC1 ZINC001002300620 626173485 /nfs/dbraw/zinc/17/34/85/626173485.db2.gz JWUXRPWJPLVQHP-UHFFFAOYSA-N 0 1 276.424 2.561 20 30 CFEDMN C=C(C)CN1CC[C@@H](NC(=O)[C@@]2(C)CC=C(C)CC2)C1 ZINC001016308195 626178732 /nfs/dbraw/zinc/17/87/32/626178732.db2.gz CDICMDXQVIMMAZ-WBVHZDCISA-N 0 1 276.424 2.890 20 30 CFEDMN CC#CCN1CCC(NC(=O)c2sc(C)cc2C)CC1 ZINC001002919393 626203730 /nfs/dbraw/zinc/20/37/30/626203730.db2.gz UZDNILKPFDHJSQ-UHFFFAOYSA-N 0 1 290.432 2.582 20 30 CFEDMN COc1cc(CNCc2ccnn2C2CCC2)ccc1C#N ZINC000922141427 626216555 /nfs/dbraw/zinc/21/65/55/626216555.db2.gz PTMBKEWZKCSOAW-UHFFFAOYSA-N 0 1 296.374 2.778 20 30 CFEDMN C#CCN1CCC(NC(=O)Cc2cccc(C(C)C)c2)CC1 ZINC001003246515 626224074 /nfs/dbraw/zinc/22/40/74/626224074.db2.gz WKAARDOADRLBHU-UHFFFAOYSA-N 0 1 298.430 2.566 20 30 CFEDMN N#C[C@H]1CC[C@@H](NCc2c(Cl)n[nH]c2C2CC2)C1 ZINC000922196806 626237818 /nfs/dbraw/zinc/23/78/18/626237818.db2.gz CDJPVVWVTQRJAH-WCBMZHEXSA-N 0 1 264.760 2.722 20 30 CFEDMN N#CC[C@@H](NCc1cc(F)cc(F)c1O)C(F)(F)F ZINC000922650404 626333621 /nfs/dbraw/zinc/33/36/21/626333621.db2.gz PIWJGGULRWEISX-SECBINFHSA-N 0 1 280.196 2.605 20 30 CFEDMN C#CCN1CCC(NC(=O)c2ccc(CC)c(CC)c2)CC1 ZINC001004298354 626339110 /nfs/dbraw/zinc/33/91/10/626339110.db2.gz NCGRBZDICFMTCG-UHFFFAOYSA-N 0 1 298.430 2.639 20 30 CFEDMN C#CCN(Cc1ccc(N)nc1)[C@H]1CCc2ccccc21 ZINC000929333247 626406870 /nfs/dbraw/zinc/40/68/70/626406870.db2.gz FZWYNYQDRHPQJR-KRWDZBQOSA-N 0 1 277.371 2.787 20 30 CFEDMN COc1cccc(NN=Cc2cccc(O)c2Cl)n1 ZINC000814900188 626410946 /nfs/dbraw/zinc/41/09/46/626410946.db2.gz IAMXIJVSKWVNHP-UHFFFAOYSA-N 0 1 277.711 2.895 20 30 CFEDMN C#CCN1CCC(N(C)C(=O)c2csc(C)c2C)CC1 ZINC001005445987 626415264 /nfs/dbraw/zinc/41/52/64/626415264.db2.gz CZXDFFXGCXLMSJ-UHFFFAOYSA-N 0 1 290.432 2.535 20 30 CFEDMN CC#CCN1CCC(N(C)C(=O)C[C@@H]2C=CCCC2)CC1 ZINC001005578977 626417954 /nfs/dbraw/zinc/41/79/54/626417954.db2.gz ILCRMKQKZWLHDT-MRXNPFEDSA-N 0 1 288.435 2.679 20 30 CFEDMN C#CCC1(NCc2cn(C3CCC3)nn2)CCCCC1 ZINC000922981596 626438923 /nfs/dbraw/zinc/43/89/23/626438923.db2.gz QETMFOQXPCQMQD-UHFFFAOYSA-N 0 1 272.396 2.819 20 30 CFEDMN C#CCC1(NCc2cn(-c3ccccc3C)nn2)CCC1 ZINC000922997432 626440961 /nfs/dbraw/zinc/44/09/61/626440961.db2.gz IKZWFXSTHWCMIT-UHFFFAOYSA-N 0 1 280.375 2.611 20 30 CFEDMN CC#CCN1CCC(N(C)C(=O)[C@@H]2C[C@@]2(C)C(C)C)CC1 ZINC001006229999 626480995 /nfs/dbraw/zinc/48/09/95/626480995.db2.gz XBKWWWLARVXBHP-WMZOPIPTSA-N 0 1 290.451 2.615 20 30 CFEDMN CC#CCN1CCC(N(C)C(=O)[C@H](C)C2CCCC2)CC1 ZINC001006279110 626481930 /nfs/dbraw/zinc/48/19/30/626481930.db2.gz NDFFJYQOHVJXBV-OAHLLOKOSA-N 0 1 290.451 2.759 20 30 CFEDMN C#CCN1CCC(N(C)C(=O)c2ccccc2Cl)CC1 ZINC001006327740 626483044 /nfs/dbraw/zinc/48/30/44/626483044.db2.gz VHHOJZBKRKMNBF-UHFFFAOYSA-N 0 1 290.794 2.510 20 30 CFEDMN CC(C)CCCCC(=O)C(C#N)C(=O)Nc1ccccn1 ZINC000838790552 626507043 /nfs/dbraw/zinc/50/70/43/626507043.db2.gz HBGVTKAMSWLBOC-ZDUSSCGKSA-N 0 1 287.363 2.945 20 30 CFEDMN C=CCOCCN[C@@H]1COCc2cccc(Cl)c21 ZINC000788735733 626508812 /nfs/dbraw/zinc/50/88/12/626508812.db2.gz QXOKSBSRJGLUJO-CYBMUJFWSA-N 0 1 267.756 2.704 20 30 CFEDMN Cc1cccc(CNC(=O)C(C#N)C(=O)[C@H](C)C2CCC2)c1 ZINC000838866962 626512084 /nfs/dbraw/zinc/51/20/84/626512084.db2.gz YRCUCFAYSICFCK-CJNGLKHVSA-N 0 1 298.386 2.756 20 30 CFEDMN N#C[C@@H]1CCCC[C@H]1OC(=O)c1ccc(-c2nnc[nH]2)cc1 ZINC000839085076 626524040 /nfs/dbraw/zinc/52/40/40/626524040.db2.gz WBOJBDWJBNOIAL-UONOGXRCSA-N 0 1 296.330 2.711 20 30 CFEDMN C/C=C(/CC)C(=O)OCC(=O)[C@@H](C#N)c1nc(C)cs1 ZINC000789226713 626539309 /nfs/dbraw/zinc/53/93/09/626539309.db2.gz ICCPQQHORDCGFT-NEOSZVFXSA-N 0 1 292.360 2.527 20 30 CFEDMN C/C=C(/CC)C(=O)OCC(=O)C(C#N)c1nc(C)cs1 ZINC000789226713 626539310 /nfs/dbraw/zinc/53/93/10/626539310.db2.gz ICCPQQHORDCGFT-NEOSZVFXSA-N 0 1 292.360 2.527 20 30 CFEDMN C#Cc1ccc(CN2CCOC[C@H]2CC(C)C)cc1 ZINC000809574869 626540888 /nfs/dbraw/zinc/54/08/88/626540888.db2.gz SJLXOADLFVXSLX-QGZVFWFLSA-N 0 1 257.377 2.915 20 30 CFEDMN C=C(Cl)CN[C@@H](C)[C@H](Cc1ccccc1)C(=O)OC ZINC000839596186 626547494 /nfs/dbraw/zinc/54/74/94/626547494.db2.gz TVSURKWGVXPEMK-JSGCOSHPSA-N 0 1 281.783 2.749 20 30 CFEDMN C#C[C@@H](NCc1c(C)nn(CC(C)C)c1OCC)C(C)C ZINC000809685506 626548595 /nfs/dbraw/zinc/54/85/95/626548595.db2.gz XCKAAZKEUOCVDO-MRXNPFEDSA-N 0 1 291.439 2.994 20 30 CFEDMN Fc1c(Cl)cccc1NN=Cc1cn2cccnc2n1 ZINC000757574625 626555662 /nfs/dbraw/zinc/55/56/62/626555662.db2.gz GZGZHWQOENEXMD-UHFFFAOYSA-N 0 1 289.701 2.968 20 30 CFEDMN O=[N+]([O-])c1ccc(O)cc1C=NOCc1ccc(F)cc1 ZINC000758145314 626579279 /nfs/dbraw/zinc/57/92/79/626579279.db2.gz WMBLFFPENMFKHA-UHFFFAOYSA-N 0 1 290.250 2.990 20 30 CFEDMN Cc1ccn(CN(C)C[C@H](C)c2ccccc2)c(=O)c1C#N ZINC000758215449 626583144 /nfs/dbraw/zinc/58/31/44/626583144.db2.gz JSWUHGYDCROJRA-HNNXBMFYSA-N 0 1 295.386 2.721 20 30 CFEDMN CCC[C@H]1[C@H](C)CCCN1Cn1cccc(C#N)c1=O ZINC000758232278 626584132 /nfs/dbraw/zinc/58/41/32/626584132.db2.gz POQDJIZQRWVBDU-HIFRSBDPSA-N 0 1 273.380 2.578 20 30 CFEDMN C#CCNC(=S)Nc1ccccc1SCCC#N ZINC000758233297 626584247 /nfs/dbraw/zinc/58/42/47/626584247.db2.gz FECJOPPEBSRSMQ-UHFFFAOYSA-N 0 1 275.402 2.612 20 30 CFEDMN C[C@@H]1[C@@H](c2ccccc2)CCN1Cn1cccc(C#N)c1=O ZINC000758237124 626584697 /nfs/dbraw/zinc/58/46/97/626584697.db2.gz OLNSCRFGZJOLCP-PBHICJAKSA-N 0 1 293.370 2.555 20 30 CFEDMN CC(C)c1ncc(CN=Nc2ccnc(N(C)C)n2)s1 ZINC000758377962 626590475 /nfs/dbraw/zinc/59/04/75/626590475.db2.gz HJGAUNIHPDIZMO-UHFFFAOYSA-N 0 1 290.396 2.569 20 30 CFEDMN Cc1cc(N=NCc2ccc(F)c3cccnc23)ncn1 ZINC000759197617 626635411 /nfs/dbraw/zinc/63/54/11/626635411.db2.gz WNRHSYHHWPRIKR-UHFFFAOYSA-N 0 1 281.294 2.918 20 30 CFEDMN N#CC(C(=O)Nc1ccccc1)C(=O)[C@@H]1CC12CCC2 ZINC000759836482 626694621 /nfs/dbraw/zinc/69/46/21/626694621.db2.gz WXADFPFAIRWDHG-STQMWFEESA-N 0 1 268.316 2.524 20 30 CFEDMN N#C[C@@H](C(=O)Cc1c(F)cccc1Cl)c1ccncn1 ZINC000760359710 626739799 /nfs/dbraw/zinc/73/97/99/626739799.db2.gz UKDVPMMGHKAEKV-SNVBAGLBSA-N 0 1 289.697 2.688 20 30 CFEDMN Cc1ccc2c(C=NNc3nccn3C)c[nH]c2c1 ZINC000790301118 626789922 /nfs/dbraw/zinc/78/99/22/626789922.db2.gz CAMARQWCNDSAAT-UHFFFAOYSA-N 0 1 253.309 2.656 20 30 CFEDMN Cc1ccnc(N=NCc2ccc3c(c2)ncn3C)c1 ZINC000761266547 626819860 /nfs/dbraw/zinc/81/98/60/626819860.db2.gz IOILLEADXOXPRN-UHFFFAOYSA-N 0 1 265.320 2.723 20 30 CFEDMN Cc1ccc(F)cc1C=NNc1ccc(-n2ccnc2)nn1 ZINC000761859758 626865336 /nfs/dbraw/zinc/86/53/36/626865336.db2.gz AIACICKYDHALOM-UHFFFAOYSA-N 0 1 296.309 2.556 20 30 CFEDMN Cc1cc(-n2c(C)cc(C=NNc3cnn(C)c3)c2C)no1 ZINC000761859932 626865560 /nfs/dbraw/zinc/86/55/60/626865560.db2.gz DADDOWWSIBHGHR-UHFFFAOYSA-N 0 1 298.350 2.570 20 30 CFEDMN CC(=NNc1cnn(C)c1)c1ccc(OC(F)F)cc1 ZINC000761866848 626866591 /nfs/dbraw/zinc/86/65/91/626866591.db2.gz KYSIMUDWBDZPAY-UHFFFAOYSA-N 0 1 280.278 2.858 20 30 CFEDMN CC(=NNc1cnn(C)c1)c1ccccc1OC(F)F ZINC000761866964 626866652 /nfs/dbraw/zinc/86/66/52/626866652.db2.gz UDJRGQRDWFNTOJ-UHFFFAOYSA-N 0 1 280.278 2.858 20 30 CFEDMN Cn1cc(N=NC2CCc3ccc(Cl)cc32)cn1 ZINC000761882119 626869112 /nfs/dbraw/zinc/86/91/12/626869112.db2.gz XRZXFMPFDKUMFF-UHFFFAOYSA-N 0 1 260.728 2.836 20 30 CFEDMN Cn1cc(N=NCc2cccc(OCC(F)(F)F)c2)cn1 ZINC000761880611 626869261 /nfs/dbraw/zinc/86/92/61/626869261.db2.gz HWMSYUUGXVIBKY-UHFFFAOYSA-N 0 1 298.268 2.807 20 30 CFEDMN C#CCCc1noc(-c2cc(-c3ccc(OC)cc3)n[nH]2)n1 ZINC000762010828 626880364 /nfs/dbraw/zinc/88/03/64/626880364.db2.gz RBHQNWRKZAATDC-UHFFFAOYSA-N 0 1 294.314 2.701 20 30 CFEDMN COC(CCN1CCC[C@H]1[C@@H](C#N)c1ccccc1)OC ZINC000851793451 634532615 /nfs/dbraw/zinc/53/26/15/634532615.db2.gz DQXJYCIDNCWYFJ-HOTGVXAUSA-N 0 1 288.391 2.767 20 30 CFEDMN CCOc1cccc(CNCc2ccc(C#N)cc2)n1 ZINC000763405588 626985880 /nfs/dbraw/zinc/98/58/80/626985880.db2.gz DKJFQNKRTVCTSJ-UHFFFAOYSA-N 0 1 267.332 2.642 20 30 CFEDMN CC[C@@H](C(=O)[C@H](C#N)C(=O)NC1CC1)C1CCC(C)CC1 ZINC000764757738 627091005 /nfs/dbraw/zinc/09/10/05/627091005.db2.gz BKOOOPVVWAENRX-VHMBPLKRSA-N 0 1 290.407 2.826 20 30 CFEDMN CC[C@@H](C(=O)[C@@H](C#N)C(=O)NC1CC1)C1CCC(C)CC1 ZINC000764757715 627091234 /nfs/dbraw/zinc/09/12/34/627091234.db2.gz BKOOOPVVWAENRX-BBNOBNGHSA-N 0 1 290.407 2.826 20 30 CFEDMN COc1cc2ccccc2cc1C(=O)NC1=NO[C@@H](C)C1 ZINC000765375400 627133202 /nfs/dbraw/zinc/13/32/02/627133202.db2.gz HNKFKTAVFYXVMK-JTQLQIEISA-N 0 1 284.315 2.701 20 30 CFEDMN N#C[C@H]1CCC[C@@H](NCc2nnc(-c3ccccc3)[nH]2)C1 ZINC000765942113 627165917 /nfs/dbraw/zinc/16/59/17/627165917.db2.gz YDHLZJDULZYSFK-GXTWGEPZSA-N 0 1 281.363 2.644 20 30 CFEDMN CC(C)(C)[C@H]1CC[N@@H+](Cn2cc3c(c(C#N)c2=O)CCC3)C1 ZINC000766634680 627212502 /nfs/dbraw/zinc/21/25/02/627212502.db2.gz OZOOHILEWDJUTI-AWEZNQCLSA-N 0 1 299.418 2.534 20 30 CFEDMN CC(C)(C)[C@H]1CCN(Cn2cc3c(c(C#N)c2=O)CCC3)C1 ZINC000766634680 627212504 /nfs/dbraw/zinc/21/25/04/627212504.db2.gz OZOOHILEWDJUTI-AWEZNQCLSA-N 0 1 299.418 2.534 20 30 CFEDMN COc1ccc(C(=O)C(C#N)c2ccccn2)nc1Cl ZINC000766840949 627222285 /nfs/dbraw/zinc/22/22/85/627222285.db2.gz NRULALLIRFYSCD-SECBINFHSA-N 0 1 287.706 2.629 20 30 CFEDMN C#Cc1cccc(NC(=S)N[C@H](C)Cc2cc(C)[nH]n2)c1 ZINC000767710276 627278742 /nfs/dbraw/zinc/27/87/42/627278742.db2.gz PAKPDIZPJCZJNQ-LLVKDONJSA-N 0 1 298.415 2.617 20 30 CFEDMN c1c(CN=Nc2ccccn2)[nH]nc1-c1ccccc1 ZINC000767760950 627282934 /nfs/dbraw/zinc/28/29/34/627282934.db2.gz LJZJZXBAZKCMLN-UHFFFAOYSA-N 0 1 263.304 2.918 20 30 CFEDMN C(=NNc1ccccn1)c1cc(-c2ccccc2)[nH]n1 ZINC000767760950 627282937 /nfs/dbraw/zinc/28/29/37/627282937.db2.gz LJZJZXBAZKCMLN-UHFFFAOYSA-N 0 1 263.304 2.918 20 30 CFEDMN FC(F)(F)CON=Cc1cc(-c2ccccc2)[nH]n1 ZINC000767791951 627285708 /nfs/dbraw/zinc/28/57/08/627285708.db2.gz ZLOWCZFHQRUBAV-UHFFFAOYSA-N 0 1 269.226 2.990 20 30 CFEDMN COc1ccc(NN=Cc2ccccc2O)c([N+](=O)[O-])c1 ZINC000767797215 627286310 /nfs/dbraw/zinc/28/63/10/627286310.db2.gz PXYQOFGNAZWBJI-UHFFFAOYSA-N 0 1 287.275 2.755 20 30 CFEDMN COC(=O)c1ccc(NN=Cc2cc(C)oc2C)nc1 ZINC000767900664 627293249 /nfs/dbraw/zinc/29/32/49/627293249.db2.gz KJLOLHCEGHNQTP-UHFFFAOYSA-N 0 1 273.292 2.524 20 30 CFEDMN N#Cc1cc(Cl)nc(NN=Cc2ccccc2C#N)c1 ZINC000768374746 627337859 /nfs/dbraw/zinc/33/78/59/627337859.db2.gz JZNLHPVECLQTHJ-UHFFFAOYSA-N 0 1 281.706 2.924 20 30 CFEDMN COc1cc(O)c(CN(CCC#N)CC(C)C)cc1OC ZINC000768440998 627342391 /nfs/dbraw/zinc/34/23/91/627342391.db2.gz CDNXKELJZPNGCM-UHFFFAOYSA-N 0 1 292.379 2.781 20 30 CFEDMN CC(=NNCC[NH+]1CCCCC1)c1ccc([O-])c(Cl)c1 ZINC000768772901 627371008 /nfs/dbraw/zinc/37/10/08/627371008.db2.gz LADJHHWNHHEWJY-UHFFFAOYSA-N 0 1 295.814 2.845 20 30 CFEDMN CCCCCCCC(=O)N1C[C@H](C)N(C)C[C@@H]1C ZINC000768840641 627378301 /nfs/dbraw/zinc/37/83/01/627378301.db2.gz GHTLMKUTDWGUSS-KBPBESRZSA-N 0 1 254.418 2.898 20 30 CFEDMN C=C(Br)CN1CCC[C@@]1(C)CCCO ZINC000769160094 627408061 /nfs/dbraw/zinc/40/80/61/627408061.db2.gz AOBDJGRJJLHFAS-NSHDSACASA-N 0 1 262.191 2.522 20 30 CFEDMN C#CCN(Cc1cn2cccc(F)c2n1)C1CCCC1 ZINC000769530958 627452071 /nfs/dbraw/zinc/45/20/71/627452071.db2.gz PWMGPLIUIQGPOG-UHFFFAOYSA-N 0 1 271.339 2.851 20 30 CFEDMN Cc1ccc(N=NCc2cn(C)nc2C(C)(C)C)nc1 ZINC000769575052 627457816 /nfs/dbraw/zinc/45/78/16/627457816.db2.gz NTTBBXWYINLPEC-UHFFFAOYSA-N 0 1 271.368 2.867 20 30 CFEDMN C#CCCN1CCN([C@H](C)c2cccc(F)c2)CC1 ZINC000769929406 627488698 /nfs/dbraw/zinc/48/86/98/627488698.db2.gz VJVLWPJSQXDOCY-CQSZACIVSA-N 0 1 260.356 2.528 20 30 CFEDMN CCn1c2ccccc2nc1CN[C@H]1CC[C@@H](C#N)C1 ZINC000769945672 627490451 /nfs/dbraw/zinc/49/04/51/627490451.db2.gz RRWOIJXIYAPYNP-OLZOCXBDSA-N 0 1 268.364 2.838 20 30 CFEDMN C#CCOCCNC(C)(C)c1ccccc1Br ZINC000851905665 634582717 /nfs/dbraw/zinc/58/27/17/634582717.db2.gz HISXWMQANRUFIH-UHFFFAOYSA-N 0 1 296.208 2.924 20 30 CFEDMN Cc1nc(-c2ccccc2)[nH]c1C(=O)OC[C@@H](C)C#N ZINC000770934387 627560748 /nfs/dbraw/zinc/56/07/48/627560748.db2.gz WIKKQHHTVYOXQJ-JTQLQIEISA-N 0 1 269.304 2.702 20 30 CFEDMN CSC=CC(=O)[C@@H](C#N)c1nc2cccc(C)c2[nH]1 ZINC000771612354 627618102 /nfs/dbraw/zinc/61/81/02/627618102.db2.gz LTHWASVJLWBEPA-VQCYPWCPSA-N 0 1 271.345 2.924 20 30 CFEDMN C#CCOCCN[C@H](CC)c1nc(C(F)(F)F)cs1 ZINC000851925779 634593758 /nfs/dbraw/zinc/59/37/58/634593758.db2.gz AVIJGSUDFLQNJT-SECBINFHSA-N 0 1 292.326 2.852 20 30 CFEDMN CS[C@H](C)CCC(=O)Nc1cc(C#N)ccc1O ZINC000773523127 627833059 /nfs/dbraw/zinc/83/30/59/627833059.db2.gz LVFQHXPTXPDJFG-SECBINFHSA-N 0 1 264.350 2.734 20 30 CFEDMN C#CCN1CCC[C@H]1COC(=O)/C(C)=C/C(C)(C)C ZINC000774063180 627883534 /nfs/dbraw/zinc/88/35/34/627883534.db2.gz RQSQOSPZPXJLDV-CMPYXILNSA-N 0 1 263.381 2.620 20 30 CFEDMN C=CC[C@H](N[C@@H](C)c1ccnn1C)c1ccncc1 ZINC000774194689 627901113 /nfs/dbraw/zinc/90/11/13/627901113.db2.gz YQCGSHHDQYQOBU-JSGCOSHPSA-N 0 1 256.353 2.783 20 30 CFEDMN CC[C@@H](C#N)Oc1cccc(CN[C@@H](C)c2ccnn2C)c1 ZINC000774246415 627908064 /nfs/dbraw/zinc/90/80/64/627908064.db2.gz ZEHNXTGZNYMVDG-ZFWWWQNUSA-N 0 1 298.390 2.952 20 30 CFEDMN CCOCCON=C(C)c1ccccc1N(C)C ZINC000774423493 627923881 /nfs/dbraw/zinc/92/38/81/627923881.db2.gz WVMHQBSONHOZPW-UHFFFAOYSA-N 0 1 250.342 2.530 20 30 CFEDMN C[C@H]1CC(=NOC2CCOCC2)CN1Cc1ccccc1 ZINC000774444740 627926983 /nfs/dbraw/zinc/92/69/83/627926983.db2.gz NVPPLIQAQRNCAL-AWEZNQCLSA-N 0 1 288.391 2.832 20 30 CFEDMN C[C@H](NC[C@H](C#N)CCC#N)c1ccc(N(C)C)cc1 ZINC000774481064 627931538 /nfs/dbraw/zinc/93/15/38/627931538.db2.gz HPCWYZIAEWBJIV-KBPBESRZSA-N 0 1 270.380 2.847 20 30 CFEDMN Cc1cc(CN2CCCC[C@H]2C2OCCO2)ccc1C#N ZINC000774874526 627976005 /nfs/dbraw/zinc/97/60/05/627976005.db2.gz DBZFCHSDMKFQFT-INIZCTEOSA-N 0 1 286.375 2.594 20 30 CFEDMN C#CC[C@@H](NCc1cnn(C=C)c1)c1ccccc1 ZINC000774995461 627983777 /nfs/dbraw/zinc/98/37/77/627983777.db2.gz DXKBNOSTSZGPBG-MRXNPFEDSA-N 0 1 251.333 2.838 20 30 CFEDMN C#C[C@@H](C)N(C)Cc1ccc(OCCC)c(OC)c1 ZINC000775180337 627998376 /nfs/dbraw/zinc/99/83/76/627998376.db2.gz WOJGRBUFFXNPKQ-CYBMUJFWSA-N 0 1 261.365 2.938 20 30 CFEDMN C#CCn1ccc(CN(CC)CCCC2CCC2)n1 ZINC000851996355 634620876 /nfs/dbraw/zinc/62/08/76/634620876.db2.gz NSBXHTWQNVHPCR-UHFFFAOYSA-N 0 1 259.397 2.919 20 30 CFEDMN C#C[C@@H](NCc1coc2ccccc12)[C@H]1CCCO1 ZINC000775343641 628012771 /nfs/dbraw/zinc/01/27/71/628012771.db2.gz XEFITFCPIIPTMR-GDBMZVCRSA-N 0 1 255.317 2.703 20 30 CFEDMN C#C[C@@H](NCc1cccc(CCC)c1)[C@@H]1CCCO1 ZINC000775344991 628013405 /nfs/dbraw/zinc/01/34/05/628013405.db2.gz LEEDRRCJDLMGDI-SJORKVTESA-N 0 1 257.377 2.910 20 30 CFEDMN C#C[C@H](NCc1ccc(N2CCCCC2)cc1)[C@H]1CCCO1 ZINC000775346624 628014233 /nfs/dbraw/zinc/01/42/33/628014233.db2.gz WCYBAMMHKGMHNS-RBUKOAKNSA-N 0 1 298.430 2.947 20 30 CFEDMN C#CC[C@@H](NCc1ccnc(C#N)c1)c1ccccc1 ZINC000775399381 628020700 /nfs/dbraw/zinc/02/07/00/628020700.db2.gz GCHGDDGWSWPFDG-QGZVFWFLSA-N 0 1 261.328 2.807 20 30 CFEDMN C#CC[C@H](NCC(=O)NC(C1CC1)C1CC1)c1ccccc1 ZINC000775401676 628021024 /nfs/dbraw/zinc/02/10/24/628021024.db2.gz XPHJNQTUAPSNMG-KRWDZBQOSA-N 0 1 296.414 2.645 20 30 CFEDMN CCCCCCNC(=O)CNC1(c2cccc(C#N)c2)CC1 ZINC000775430879 628025345 /nfs/dbraw/zinc/02/53/45/628025345.db2.gz RIRKSHULXAUUFI-UHFFFAOYSA-N 0 1 299.418 2.833 20 30 CFEDMN C#C[C@H](N[C@H](C)c1ccccc1OC)[C@H]1CCCO1 ZINC000775571728 628039552 /nfs/dbraw/zinc/03/95/52/628039552.db2.gz KEDHNFRRRYBHFC-IVMMDQJWSA-N 0 1 259.349 2.527 20 30 CFEDMN C#C[C@H](N[C@H](C)c1ccc(C)nc1C)[C@@H]1CCCO1 ZINC000775571764 628039674 /nfs/dbraw/zinc/03/96/74/628039674.db2.gz LHMMHZHNNKUQBI-KBMXLJTQSA-N 0 1 258.365 2.530 20 30 CFEDMN C#C[C@H](N[C@@H](CC)c1cccc([N+](=O)[O-])c1)[C@@H]1CCCO1 ZINC000775572030 628040357 /nfs/dbraw/zinc/04/03/57/628040357.db2.gz NYXHSSBLHBMXIJ-JYJNAYRXSA-N 0 1 288.347 2.816 20 30 CFEDMN C#C[C@H](N[C@H](C)c1sc(C)nc1C)[C@@H]1CCCO1 ZINC000775572950 628040410 /nfs/dbraw/zinc/04/04/10/628040410.db2.gz DRCZIFINGXAOLO-WXHSDQCUSA-N 0 1 264.394 2.591 20 30 CFEDMN C#C[C@H](N[C@@H](C)c1ccc(F)cc1N(C)C)[C@@H]1CCCO1 ZINC000775573425 628041486 /nfs/dbraw/zinc/04/14/86/628041486.db2.gz YLBVKYYITUKSBS-NUTKFTJISA-N 0 1 290.382 2.723 20 30 CFEDMN C#C[C@H](N[C@H]1CCCc2nc(C)sc21)[C@@H]1CCCO1 ZINC000775573479 628041543 /nfs/dbraw/zinc/04/15/43/628041543.db2.gz ZBGVTKOWXNNTND-UBHSHLNASA-N 0 1 276.405 2.599 20 30 CFEDMN C#C[C@H](N[C@@H](CC)c1cccc(OC)c1)[C@@H]1CCCO1 ZINC000775573309 628041787 /nfs/dbraw/zinc/04/17/87/628041787.db2.gz GXIXIUBKEYDKCC-ULQDDVLXSA-N 0 1 273.376 2.917 20 30 CFEDMN C#C[C@H](N[C@@H](C)c1ccc(OC)c(F)c1)[C@@H]1CCCO1 ZINC000775575104 628042128 /nfs/dbraw/zinc/04/21/28/628042128.db2.gz UYIRMXGTFDXAIA-PJODQICGSA-N 0 1 277.339 2.666 20 30 CFEDMN C#C[C@H](N[C@@H](C)c1ccc(F)c(OC)c1)[C@@H]1CCCO1 ZINC000775574188 628042495 /nfs/dbraw/zinc/04/24/95/628042495.db2.gz OHEIYCMKFRHVRQ-CQDKDKBSSA-N 0 1 277.339 2.666 20 30 CFEDMN C=C(C)CCN1CCN(C(=O)OC(C)(C)C)[C@H](C)C1 ZINC000775630254 628047454 /nfs/dbraw/zinc/04/74/54/628047454.db2.gz DLMWDJIFZQCPNU-CYBMUJFWSA-N 0 1 268.401 2.894 20 30 CFEDMN N#CC1(CN2CCCC[C@H]2[C@@H](O)c2ccccc2)CC1 ZINC000775987501 628092377 /nfs/dbraw/zinc/09/23/77/628092377.db2.gz WTSCZRDOYPKSKO-HOTGVXAUSA-N 0 1 270.376 2.878 20 30 CFEDMN N#CC1(CN2CCCC[C@@H]2[C@H](O)c2ccccc2)CC1 ZINC000775987502 628092578 /nfs/dbraw/zinc/09/25/78/628092578.db2.gz WTSCZRDOYPKSKO-HZPDHXFCSA-N 0 1 270.376 2.878 20 30 CFEDMN C#C[C@@H](NCc1c(C)nn(C(C)(C)C)c1C)[C@@H]1CCCO1 ZINC000776003125 628093251 /nfs/dbraw/zinc/09/32/51/628093251.db2.gz VNAIXXULKRYITQ-CVEARBPZSA-N 0 1 289.423 2.525 20 30 CFEDMN C=CCNC(=O)C(C#N)C(=O)[C@@H](CC)CCCCC ZINC000776076378 628099299 /nfs/dbraw/zinc/09/92/99/628099299.db2.gz FWFPTOINOBEBRQ-QWHCGFSZSA-N 0 1 264.369 2.604 20 30 CFEDMN COC(=O)c1ccccc1N=NCc1cccc(OC)c1 ZINC000776189329 628114253 /nfs/dbraw/zinc/11/42/53/628114253.db2.gz GESBNMNNMJQYSF-UHFFFAOYSA-N 0 1 284.315 2.928 20 30 CFEDMN COC(=O)c1ccccc1N=NCc1cccc2nccn21 ZINC000776189622 628114458 /nfs/dbraw/zinc/11/44/58/628114458.db2.gz NSMMLKKOJZFIAP-UHFFFAOYSA-N 0 1 294.314 2.567 20 30 CFEDMN COC(=O)c1ccccc1N=NCc1cccc(O)c1 ZINC000776189524 628114561 /nfs/dbraw/zinc/11/45/61/628114561.db2.gz KQNPRMCTCUGMAY-UHFFFAOYSA-N 0 1 270.288 2.625 20 30 CFEDMN COC(=O)c1ccccc1N=NCc1ccccc1OC ZINC000776189592 628114588 /nfs/dbraw/zinc/11/45/88/628114588.db2.gz MXFQGVZTYHEGJH-UHFFFAOYSA-N 0 1 284.315 2.928 20 30 CFEDMN COC(=O)c1ccccc1N=NC(C)c1nccs1 ZINC000776189605 628114636 /nfs/dbraw/zinc/11/46/36/628114636.db2.gz NGKHZQKZESGSNZ-UHFFFAOYSA-N 0 1 275.333 2.766 20 30 CFEDMN C#CCN(Cc1ccccc1)[C@H](C)c1n[nH]c(CC)n1 ZINC000852044065 634634392 /nfs/dbraw/zinc/63/43/92/634634392.db2.gz DJDBAIUNXVSDQE-CYBMUJFWSA-N 0 1 268.364 2.564 20 30 CFEDMN COc1ccc(N=NCc2ccc(F)nc2)c([N+](=O)[O-])c1 ZINC000777444534 628226484 /nfs/dbraw/zinc/22/64/84/628226484.db2.gz YYXSJZBXSSDKJJ-UHFFFAOYSA-N 0 1 290.254 2.584 20 30 CFEDMN Brc1cccc(C=NNc2ccccn2)n1 ZINC000777878759 628260638 /nfs/dbraw/zinc/26/06/38/628260638.db2.gz KYZWDBDPZZVOBX-UHFFFAOYSA-N 0 1 277.125 2.685 20 30 CFEDMN Cc1cc[nH+]c([N-]N=Cc2cccc(Br)n2)c1 ZINC000777889094 628261692 /nfs/dbraw/zinc/26/16/92/628261692.db2.gz SGSXVEVCPVWJPC-UHFFFAOYSA-N 0 1 291.152 2.994 20 30 CFEDMN Cc1ccnc(NN=Cc2cccc(Br)n2)c1 ZINC000777889094 628261695 /nfs/dbraw/zinc/26/16/95/628261695.db2.gz SGSXVEVCPVWJPC-UHFFFAOYSA-N 0 1 291.152 2.994 20 30 CFEDMN COc1ccc(O)c(C=NNc2cc(Cl)ccn2)c1 ZINC000777906084 628263800 /nfs/dbraw/zinc/26/38/00/628263800.db2.gz STGODPZDZPWOFB-UHFFFAOYSA-N 0 1 277.711 2.895 20 30 CFEDMN Cc1ccc(O)c(C=NNc2cc(Cl)ccn2)n1 ZINC000777905551 628264083 /nfs/dbraw/zinc/26/40/83/628264083.db2.gz LVHJKMXDXFJHRP-UHFFFAOYSA-N 0 1 262.700 2.590 20 30 CFEDMN N#Cc1ccc2ncc(C=NNc3cc(Cl)ccn3)n2c1 ZINC000777907087 628264336 /nfs/dbraw/zinc/26/43/36/628264336.db2.gz QZNSRJYYRQHAEZ-UHFFFAOYSA-N 0 1 296.721 2.700 20 30 CFEDMN C#CCOc1cccc(Cl)c1CNCCCC#N ZINC000778177447 628284118 /nfs/dbraw/zinc/28/41/18/628284118.db2.gz RGVWJMGLOSIMAM-UHFFFAOYSA-N 0 1 262.740 2.745 20 30 CFEDMN C#CCOc1cccc(Cl)c1CNCC1(CO)CCC1 ZINC000778177875 628284261 /nfs/dbraw/zinc/28/42/61/628284261.db2.gz YQXGSUDUCDKFMS-UHFFFAOYSA-N 0 1 293.794 2.604 20 30 CFEDMN C#Cc1cccc(NC(=O)CN(C)CCCC(C)C)c1 ZINC000778359901 628299090 /nfs/dbraw/zinc/29/90/90/628299090.db2.gz WZYGEXDKWZBNNI-UHFFFAOYSA-N 0 1 272.392 2.974 20 30 CFEDMN Cc1c(C(C)N=Nc2ccc(F)cc2F)cnn1C ZINC000778533972 628313116 /nfs/dbraw/zinc/31/31/16/628313116.db2.gz MDSJTXAABBIXRD-UHFFFAOYSA-N 0 1 264.279 2.843 20 30 CFEDMN Nc1nc(Cl)cc(NN=Cc2cncc3ccccc23)n1 ZINC000778546343 628314082 /nfs/dbraw/zinc/31/40/82/628314082.db2.gz CYRNYJHIUKWANW-UHFFFAOYSA-N 0 1 298.737 2.706 20 30 CFEDMN C=CC[C@@H](C(=O)OCc1n[nH]c(C)n1)c1ccccc1 ZINC000778678092 628323847 /nfs/dbraw/zinc/32/38/47/628323847.db2.gz HMOLDDMWSFGRMK-CYBMUJFWSA-N 0 1 271.320 2.516 20 30 CFEDMN CC[C@@H](C(=O)O[C@H](C)C(C)(C)C#N)N(CC)CC ZINC000778690891 628325193 /nfs/dbraw/zinc/32/51/93/628325193.db2.gz VREAAVQOYAYETC-NEPJUHHUSA-N 0 1 254.374 2.588 20 30 CFEDMN C#CCC(C)(C)COC(=O)[C@@H](CC)N(CC)CC ZINC000778708933 628326760 /nfs/dbraw/zinc/32/67/60/628326760.db2.gz BXYFCJKGGZHHHN-CYBMUJFWSA-N 0 1 253.386 2.700 20 30 CFEDMN C#C[C@@](C)(CC)N[C@@H](C)C(=O)Nc1ccccc1C ZINC000852098656 634652012 /nfs/dbraw/zinc/65/20/12/634652012.db2.gz SAOZEIDOHKNZCI-BBRMVZONSA-N 0 1 258.365 2.714 20 30 CFEDMN CC(=CN=NC1=NC[C@H](C)N1)Cc1ccc(Cl)cc1 ZINC000779794356 628407320 /nfs/dbraw/zinc/40/73/20/628407320.db2.gz HAJUMHPMQRTCGH-FBPWGSIGSA-N 0 1 276.771 2.666 20 30 CFEDMN COc1cccc(N=NCc2sccc2NC(C)=O)n1 ZINC000779818477 628410730 /nfs/dbraw/zinc/41/07/30/628410730.db2.gz RFQKHZJYPDPKLL-UHFFFAOYSA-N 0 1 290.348 2.556 20 30 CFEDMN CCc1nc(CN=Nc2cccc(OC)n2)cs1 ZINC000779821085 628411270 /nfs/dbraw/zinc/41/12/70/628411270.db2.gz SEAOHBMUXBYGER-UHFFFAOYSA-N 0 1 262.338 2.555 20 30 CFEDMN C#C[C@](C)(CC)N[C@@H](C)C(=O)N(CCC#N)c1ccccc1 ZINC000852100036 634654211 /nfs/dbraw/zinc/65/42/11/634654211.db2.gz FOGDXBFUTVRVAZ-MAUKXSAKSA-N 0 1 297.402 2.713 20 30 CFEDMN C#C[C@@](C)(CC)NCC(=O)Nc1ccc(C)cc1C ZINC000852099633 634654328 /nfs/dbraw/zinc/65/43/28/634654328.db2.gz OBVKRBJUVUMSJV-INIZCTEOSA-N 0 1 258.365 2.633 20 30 CFEDMN C#C[C@](C)(CC)N[C@H](C)C(=O)Nc1ccccc1OCC ZINC000852100296 634654379 /nfs/dbraw/zinc/65/43/79/634654379.db2.gz VURFCTBQRGGLOB-CXAGYDPISA-N 0 1 288.391 2.804 20 30 CFEDMN C#C[C@](C)(CC)NCC(=O)Nc1ccc(C)cc1C ZINC000852099634 634654482 /nfs/dbraw/zinc/65/44/82/634654482.db2.gz OBVKRBJUVUMSJV-MRXNPFEDSA-N 0 1 258.365 2.633 20 30 CFEDMN C#C[C@](C)(CC)N[C@H](C)C(=O)Nc1ccc(C)c(F)c1 ZINC000852100066 634654525 /nfs/dbraw/zinc/65/45/25/634654525.db2.gz SUFMDUUJMYFCDR-MLGOLLRUSA-N 0 1 276.355 2.853 20 30 CFEDMN C#C[C@@](C)(CC)NCC(=O)Nc1cc(Cl)ccc1F ZINC000852100593 634654715 /nfs/dbraw/zinc/65/47/15/634654715.db2.gz IMJBZBXXZQNZCU-AWEZNQCLSA-N 0 1 282.746 2.809 20 30 CFEDMN COc1ccc(NN=C(C)c2ccc3c(c2)OCCO3)nc1 ZINC000780274670 628449304 /nfs/dbraw/zinc/44/93/04/628449304.db2.gz HJYPCWCINRTFTI-UHFFFAOYSA-N 0 1 299.330 2.698 20 30 CFEDMN COc1ccc(NN=C2CCc3ccc(OC)cc32)nc1 ZINC000780275088 628449506 /nfs/dbraw/zinc/44/95/06/628449506.db2.gz OLFNLXVXCMHZBB-UHFFFAOYSA-N 0 1 283.331 2.861 20 30 CFEDMN C#C[C@@](C)(CC)NCC(=O)Nc1ccc(Cl)cc1C ZINC000852102009 634656662 /nfs/dbraw/zinc/65/66/62/634656662.db2.gz JJVLQTGNOPLJIA-HNNXBMFYSA-N 0 1 278.783 2.978 20 30 CFEDMN Cc1cccc(C)c1CNCc1ccc(C#N)cn1 ZINC000780555050 628475479 /nfs/dbraw/zinc/47/54/79/628475479.db2.gz MIIHKFCKOUTPNU-UHFFFAOYSA-N 0 1 251.333 2.860 20 30 CFEDMN N#Cc1ccc(C[NH2+]Cc2cc(Cl)ccc2[O-])nc1 ZINC000780558220 628476471 /nfs/dbraw/zinc/47/64/71/628476471.db2.gz MGPNSXKTOJVSEY-UHFFFAOYSA-N 0 1 273.723 2.602 20 30 CFEDMN C[C@@H](NCCOC1CCC1)c1ccc(C#N)cc1F ZINC000781423412 628547578 /nfs/dbraw/zinc/54/75/78/628547578.db2.gz VCJKUIMTUPACFT-LLVKDONJSA-N 0 1 262.328 2.917 20 30 CFEDMN Cc1ccc([C@@H](O)CN[C@@H](C)c2ccc(C#N)cc2F)o1 ZINC000781423420 628547598 /nfs/dbraw/zinc/54/75/98/628547598.db2.gz QBZXORDLTKYDRR-NHYWBVRUSA-N 0 1 288.322 2.983 20 30 CFEDMN CCCCCCCCC(=O)N1CCN(CCO)C(C)(C)C1 ZINC000781683388 628572708 /nfs/dbraw/zinc/57/27/08/628572708.db2.gz ZRMVREMEAHSEOR-UHFFFAOYSA-N 0 1 298.471 2.652 20 30 CFEDMN CCCCCNC(=O)C(C#N)C(=O)[C@H]1CCC(C)(C)C1 ZINC000781763966 628578769 /nfs/dbraw/zinc/57/87/69/628578769.db2.gz AIOOLLAJZGAUSE-STQMWFEESA-N 0 1 278.396 2.828 20 30 CFEDMN CC1(C)CC[C@@H](C(=O)C(C#N)C(=O)NCc2ccccc2)C1 ZINC000781763297 628578978 /nfs/dbraw/zinc/57/89/78/628578978.db2.gz WGQZZQGGDWMULO-HUUCEWRRSA-N 0 1 298.386 2.838 20 30 CFEDMN C#CCNC(=O)CN[C@@H](c1ccc(Cl)cc1F)C(C)C ZINC000782101751 628604882 /nfs/dbraw/zinc/60/48/82/628604882.db2.gz SHYZIPOEDQCHGT-OAHLLOKOSA-N 0 1 296.773 2.515 20 30 CFEDMN CN(C)c1nccc(N=NCc2sccc2Cl)n1 ZINC000782230949 628617884 /nfs/dbraw/zinc/61/78/84/628617884.db2.gz FVCLABJTWIZWJP-UHFFFAOYSA-N 0 1 281.772 2.704 20 30 CFEDMN Clc1csc(C=NNC2=N[C@H]3CCCC[C@@H]3N2)c1 ZINC000782253331 628619499 /nfs/dbraw/zinc/61/94/99/628619499.db2.gz DXNOYWQWMGPQPF-QWRGUYRKSA-N 0 1 282.800 2.595 20 30 CFEDMN Cc1cc(N=NC(C)c2ccc(N)cc2Cl)ncn1 ZINC000782902952 628662579 /nfs/dbraw/zinc/66/25/79/628662579.db2.gz MGLCZKDUNOXMHV-UHFFFAOYSA-N 0 1 275.743 2.857 20 30 CFEDMN C#CCOc1ccc([C@@H](C)NCc2ccc(C#N)cn2)cc1 ZINC000783293395 628697825 /nfs/dbraw/zinc/69/78/25/628697825.db2.gz GOOFTQLRCJRWAS-CQSZACIVSA-N 0 1 291.354 2.816 20 30 CFEDMN C#CCN1CCC[C@@H]1COC(=O)CCCc1ccsc1 ZINC000783374375 628702347 /nfs/dbraw/zinc/70/23/47/628702347.db2.gz MYBDWIAPUJXAAS-OAHLLOKOSA-N 0 1 291.416 2.712 20 30 CFEDMN C#CCOc1ccc(CN2C[C@H](C)O[C@H](C)[C@H]2C)cc1 ZINC000783737563 628739622 /nfs/dbraw/zinc/73/96/22/628739622.db2.gz NOKWRTWUKJYOBM-RRFJBIMHSA-N 0 1 273.376 2.696 20 30 CFEDMN Cc1cc(=O)nc(NN=C[C@@H](C)Cc2ccccc2)[nH]1 ZINC000783769966 628744234 /nfs/dbraw/zinc/74/42/34/628744234.db2.gz BZDKIUGZVJMPQV-NSHDSACASA-N 0 1 270.336 2.767 20 30 CFEDMN C#CCOCCN[C@@H](C)c1nc2ccccc2n1C(F)F ZINC000784078356 628773576 /nfs/dbraw/zinc/77/35/76/628773576.db2.gz BISACLOBSJGDBN-NSHDSACASA-N 0 1 293.317 2.732 20 30 CFEDMN CC(C)[C@H](F)C(=O)C(C#N)C(=O)Nc1ccc(Cl)cc1 ZINC000784490508 628820983 /nfs/dbraw/zinc/82/09/83/628820983.db2.gz GAROTXKQDSZISB-NEPJUHHUSA-N 0 1 296.729 2.981 20 30 CFEDMN CC[C@@H](C)CCCCC(=O)C(C#N)C(=O)NC(C)C ZINC000784829722 628844401 /nfs/dbraw/zinc/84/44/01/628844401.db2.gz YQYAIWHDLOGVQV-CHWSQXEVSA-N 0 1 266.385 2.826 20 30 CFEDMN Cc1cccc(CNC(=O)C(C#N)C(=O)CC2CCCC2)c1 ZINC000786552100 628968473 /nfs/dbraw/zinc/96/84/73/628968473.db2.gz JWOXKUFKJKUXOM-MRXNPFEDSA-N 0 1 298.386 2.900 20 30 CFEDMN CC(C)(C)CCCCC(=O)C(C#N)C(=O)N1CCCC1 ZINC000805850876 629030793 /nfs/dbraw/zinc/03/07/93/629030793.db2.gz IKMLYQLMRHAAJI-ZDUSSCGKSA-N 0 1 278.396 2.924 20 30 CFEDMN NC(=O)c1ccccc1CN=Nc1ccc2ccccc2n1 ZINC000788697826 629093341 /nfs/dbraw/zinc/09/33/41/629093341.db2.gz JIEPSTQJMBYPTI-UHFFFAOYSA-N 0 1 290.326 2.780 20 30 CFEDMN Cc1cc(C=NNc2cc(C)nc(C)n2)cc(Cl)n1 ZINC000788712429 629093710 /nfs/dbraw/zinc/09/37/10/629093710.db2.gz UKXZVWIWWSMQFE-UHFFFAOYSA-N 0 1 275.743 2.896 20 30 CFEDMN CC(=NNCCc1ccccn1)c1ccc(N(C)C)cc1 ZINC000789112152 629127832 /nfs/dbraw/zinc/12/78/32/629127832.db2.gz CFCQADYCAFMCAU-UHFFFAOYSA-N 0 1 282.391 2.704 20 30 CFEDMN C#CCN(CC#C)CC[C@@H](C)OCc1ccccc1 ZINC000789325624 629147440 /nfs/dbraw/zinc/14/74/40/629147440.db2.gz BTQKGPUYTXEBOU-MRXNPFEDSA-N 0 1 255.361 2.550 20 30 CFEDMN CC(C)[C@H](C(=O)OCCC#Cc1ccccc1)N(C)C ZINC000789804120 629189280 /nfs/dbraw/zinc/18/92/80/629189280.db2.gz ZEBAKXMYRJAOFV-MRXNPFEDSA-N 0 1 273.376 2.558 20 30 CFEDMN Clc1cnccc1N=NCc1nccn1-c1ccccc1 ZINC000790166745 629215189 /nfs/dbraw/zinc/21/51/89/629215189.db2.gz AJKMZQKTGBKGIJ-UHFFFAOYSA-N 0 1 297.749 2.789 20 30 CFEDMN Clc1sccc1C=NNC1=N[C@H]2CCCC[C@@H]2N1 ZINC000790172849 629215913 /nfs/dbraw/zinc/21/59/13/629215913.db2.gz XNNCXBQFGWDGLI-UWVGGRQHSA-N 0 1 282.800 2.595 20 30 CFEDMN COc1cc(CN=Nc2ncccc2C)cc(OC)c1O ZINC000790185880 629217279 /nfs/dbraw/zinc/21/72/79/629217279.db2.gz KMHTYLLMASKVJB-UHFFFAOYSA-N 0 1 287.319 2.559 20 30 CFEDMN CC(=NNc1ncccc1C)c1ccc2c(c1)OCO2 ZINC000790190258 629218223 /nfs/dbraw/zinc/21/82/23/629218223.db2.gz HWNDRTLNMKJJDP-UHFFFAOYSA-N 0 1 269.304 2.955 20 30 CFEDMN COc1cc(C)nc(CN=Nc2ncccc2C)c1 ZINC000790193250 629218932 /nfs/dbraw/zinc/21/89/32/629218932.db2.gz ZTVIRIZQYGWKJV-UHFFFAOYSA-N 0 1 256.309 2.548 20 30 CFEDMN Cc1ccc(OC(F)F)c(CN=Nc2nccn2C)c1 ZINC000790300275 629227484 /nfs/dbraw/zinc/22/74/84/629227484.db2.gz QKJGBFWIIZIXKT-UHFFFAOYSA-N 0 1 280.278 2.776 20 30 CFEDMN Cc1ccc(OC(F)F)c(C=N[N-]c2[nH+]ccn2C)c1 ZINC000790300275 629227487 /nfs/dbraw/zinc/22/74/87/629227487.db2.gz QKJGBFWIIZIXKT-UHFFFAOYSA-N 0 1 280.278 2.776 20 30 CFEDMN Cc1[nH]c2ccccc2c1C=NNc1nccn1C ZINC000790300669 629227590 /nfs/dbraw/zinc/22/75/90/629227590.db2.gz XSVWQSPKGLXFHA-UHFFFAOYSA-N 0 1 253.309 2.656 20 30 CFEDMN CC(C)Oc1ccccc1C=N[N-]c1[nH+]ccn1C ZINC000790299875 629227802 /nfs/dbraw/zinc/22/78/02/629227802.db2.gz JFYJLEUYYARUQW-UHFFFAOYSA-N 0 1 258.325 2.653 20 30 CFEDMN Cn1cc[nH+]c1[N-]N=Cc1ccc(F)c(C#N)c1Cl ZINC000790300048 629227829 /nfs/dbraw/zinc/22/78/29/629227829.db2.gz OMAUOVOCSADPJQ-UHFFFAOYSA-N 0 1 277.690 2.530 20 30 CFEDMN Cn1cc[nH+]c1[N-]N=Cc1ccccc1OCC(F)(F)F ZINC000790306003 629229827 /nfs/dbraw/zinc/22/98/27/629229827.db2.gz SKYLNQCMXFKIFR-UHFFFAOYSA-N 0 1 298.268 2.807 20 30 CFEDMN CCCC1CCC(N(C)Cn2cccc(C#N)c2=O)CC1 ZINC000790481618 629241872 /nfs/dbraw/zinc/24/18/72/629241872.db2.gz XHJPNHLVAVVUTF-UHFFFAOYSA-N 0 1 287.407 2.968 20 30 CFEDMN N#C[C@H](C(=O)Cc1cccc(C(F)F)c1)c1ccncn1 ZINC000790794202 629263084 /nfs/dbraw/zinc/26/30/84/629263084.db2.gz YCRJCAPZJLBERV-LBPRGKRZSA-N 0 1 287.269 2.833 20 30 CFEDMN N#CC[C@@H]1CCCN(C[C@H]2CN(c3ccccc3)C(=O)O2)C1 ZINC000852319714 634720684 /nfs/dbraw/zinc/72/06/84/634720684.db2.gz RCTSLWWXTNCYBZ-HOCLYGCPSA-N 0 1 299.374 2.637 20 30 CFEDMN C#CCCOc1ccc(CN(C)Cc2cnn(C)c2C)cc1 ZINC000790937878 629272961 /nfs/dbraw/zinc/27/29/61/629272961.db2.gz HVIPQJULKHHVEY-UHFFFAOYSA-N 0 1 297.402 2.763 20 30 CFEDMN C=CC[C@@H](NCc1cccc(OC)n1)c1ccncc1 ZINC000790964702 629274794 /nfs/dbraw/zinc/27/47/94/629274794.db2.gz GDTAQZPNKPCZIL-OAHLLOKOSA-N 0 1 269.348 2.892 20 30 CFEDMN C#C[C@@H](NCc1ccc(OCC2CC2)cc1)[C@@H]1CCCO1 ZINC000790991978 629278483 /nfs/dbraw/zinc/27/84/83/629278483.db2.gz SIBSEVBITYKSIM-MSOLQXFVSA-N 0 1 285.387 2.746 20 30 CFEDMN Cn1c2ccccc2nc1C(C#N)C(=O)CSC1CC1 ZINC000835038154 629331844 /nfs/dbraw/zinc/33/18/44/629331844.db2.gz UVZMMUVTMANPOF-NSHDSACASA-N 0 1 285.372 2.645 20 30 CFEDMN Cc1csc([C@@H](C#N)C(=O)CCCC(=O)C2CC2)n1 ZINC000835038086 629332362 /nfs/dbraw/zinc/33/23/62/629332362.db2.gz UKHZHQUHDZNLCZ-NSHDSACASA-N 0 1 276.361 2.777 20 30 CFEDMN CCCCCNC(=O)C(C#N)C(=O)[C@@H]1C[C@H]1CC(C)C ZINC000835057506 629361048 /nfs/dbraw/zinc/36/10/48/629361048.db2.gz UVUNMLWULTXQGO-MGPQQGTHSA-N 0 1 278.396 2.684 20 30 CFEDMN CC[C@@H]1CCC[C@@H]1C(=O)C(C#N)C(=O)NCc1ccccc1 ZINC000835061270 629363054 /nfs/dbraw/zinc/36/30/54/629363054.db2.gz KGFWDQSHMQDSRU-OWCLPIDISA-N 0 1 298.386 2.838 20 30 CFEDMN CC[C@@H]1CCC[C@@H]1C(=O)[C@@H](C#N)C(=O)NC1CCCC1 ZINC000835074547 629371691 /nfs/dbraw/zinc/37/16/91/629371691.db2.gz SSZWXPHBIUTRMI-KWCYVHTRSA-N 0 1 276.380 2.580 20 30 CFEDMN C=C[C@@H]1OCC[C@H]1C(=O)C(C#N)c1nc2ccccc2o1 ZINC000835077837 629374166 /nfs/dbraw/zinc/37/41/66/629374166.db2.gz XETYEPIQANYHPZ-MDZLAQPJSA-N 0 1 282.299 2.595 20 30 CFEDMN C=CCN(C[C@H](O)c1ccc(F)cc1F)[C@H](C)COC ZINC000852358535 634732301 /nfs/dbraw/zinc/73/23/01/634732301.db2.gz VWSNLFRTGOUHMK-ABAIWWIYSA-N 0 1 285.334 2.521 20 30 CFEDMN C=CCN(C[C@H](O)c1c(F)cccc1F)[C@@H](C)COC ZINC000852357805 634732578 /nfs/dbraw/zinc/73/25/78/634732578.db2.gz HWPBLFHXHQXGKF-FZMZJTMJSA-N 0 1 285.334 2.521 20 30 CFEDMN N#CC(C(=O)[C@H]1C[C@@]12CCOC2)c1nccc2ccccc21 ZINC000792099854 629397276 /nfs/dbraw/zinc/39/72/76/629397276.db2.gz JRKQMVVGVKDZSK-HDMKZQKVSA-N 0 1 292.338 2.838 20 30 CFEDMN N#C[C@H](C(=O)CC[C@@H]1CCCO1)c1cnc2ccccc2n1 ZINC000792111530 629399053 /nfs/dbraw/zinc/39/90/53/629399053.db2.gz TWYLPIDBHHEXFJ-STQMWFEESA-N 0 1 295.342 2.765 20 30 CFEDMN C[C@H](C#N)CN(C)Cc1c(O)ccc(Cl)c1F ZINC000792167302 629404095 /nfs/dbraw/zinc/40/40/95/629404095.db2.gz LARKCQZTMOOVID-MRVPVSSYSA-N 0 1 256.708 2.776 20 30 CFEDMN N#C[C@@H](OC(=O)c1ccc2cncn2c1)C1CCCCC1 ZINC000792552461 629433081 /nfs/dbraw/zinc/43/30/81/629433081.db2.gz KJWUTANHZJQFKT-OAHLLOKOSA-N 0 1 283.331 2.964 20 30 CFEDMN C=C[C@@H]1OCC[C@H]1C(=O)[C@@H](C#N)c1nc2cccc(C)c2[nH]1 ZINC000835171035 629488011 /nfs/dbraw/zinc/48/80/11/629488011.db2.gz COOSGLSAPRZHOL-BZPMIXESSA-N 0 1 295.342 2.639 20 30 CFEDMN Cc1cccc2nc([C@@H](C#N)C(=O)CSC3CC3)[nH]c21 ZINC000835174892 629488781 /nfs/dbraw/zinc/48/87/81/629488781.db2.gz WSYSTEXFEBURDL-NSHDSACASA-N 0 1 285.372 2.943 20 30 CFEDMN Cc1cccc2[nH]c([C@H](C#N)C(=O)[C@H]3CC3(F)F)nc21 ZINC000835175002 629488846 /nfs/dbraw/zinc/48/88/46/629488846.db2.gz XYPUJFYEIFCZSN-RKDXNWHRSA-N 0 1 275.258 2.703 20 30 CFEDMN COCCN(C)c1ccc(C=NN[C@@H](C)C(C)(C)C)cn1 ZINC000793114820 629489252 /nfs/dbraw/zinc/48/92/52/629489252.db2.gz NUHPQJMSIAHZFO-ZDUSSCGKSA-N 0 1 292.427 2.522 20 30 CFEDMN Cc1nc(C)c(CN=Nc2cccc(Cl)n2)o1 ZINC000793174067 629498684 /nfs/dbraw/zinc/49/86/84/629498684.db2.gz HXYMKIUFQAGYED-UHFFFAOYSA-N 0 1 250.689 2.786 20 30 CFEDMN C#CCC(C)(C)COC(=O)c1cccc(-c2nnc[nH]2)c1 ZINC000793189096 629502127 /nfs/dbraw/zinc/50/21/27/629502127.db2.gz DNEYWHSSWKUQJK-UHFFFAOYSA-N 0 1 283.331 2.678 20 30 CFEDMN C#CCOc1ccccc1CN1CCC(F)(F)CC1 ZINC000793353046 629529436 /nfs/dbraw/zinc/52/94/36/629529436.db2.gz QDAAYQMCMOZBGR-UHFFFAOYSA-N 0 1 265.303 2.930 20 30 CFEDMN CC[C@@H]1C[C@H](C)CN1Cn1cc2c(c(C#N)c1=O)CCCC2 ZINC000793503391 629557866 /nfs/dbraw/zinc/55/78/66/629557866.db2.gz ICGYERNOYALTMV-DZGCQCFKSA-N 0 1 299.418 2.677 20 30 CFEDMN C=CC(C)(C)C(=O)OC[C@H]1CCCN1Cc1ccco1 ZINC000835245388 629559525 /nfs/dbraw/zinc/55/95/25/629559525.db2.gz BLBDUSGFSDSRTD-CYBMUJFWSA-N 0 1 277.364 2.999 20 30 CFEDMN Cc1cc([C@@H](C)N[C@@H]2CCc3cc(C#N)ccc32)n(C)n1 ZINC000793564663 629572869 /nfs/dbraw/zinc/57/28/69/629572869.db2.gz IOLOYLYVNOUAGP-MLGOLLRUSA-N 0 1 280.375 2.938 20 30 CFEDMN FC(F)c1ccc(C=NNc2ncnc3nc[nH]c32)cc1 ZINC000794494117 629651238 /nfs/dbraw/zinc/65/12/38/629651238.db2.gz JQZUDJWLOCOHMS-UHFFFAOYSA-N 0 1 288.261 2.737 20 30 CFEDMN CC(C)n1nccc1CN=Nc1cnnc2ccccc12 ZINC000794512215 629652258 /nfs/dbraw/zinc/65/22/58/629652258.db2.gz QMQXRRJMXJEIDW-UHFFFAOYSA-N 0 1 280.335 2.853 20 30 CFEDMN Cc1cnn(C)c1C=NN=c1ccc2ccccc2[nH]1 ZINC000794858383 629696109 /nfs/dbraw/zinc/69/61/09/629696109.db2.gz HQHKSZSBTVITLQ-UHFFFAOYSA-N 0 1 265.320 2.723 20 30 CFEDMN CC(N=Nc1ccncc1Cl)c1ccc2n[nH]cc2c1 ZINC000794919137 629704355 /nfs/dbraw/zinc/70/43/55/629704355.db2.gz PPIWUHRIFCJPFL-UHFFFAOYSA-N 0 1 285.738 2.869 20 30 CFEDMN COc1ccc(N=NC(C)c2ccc3[nH]c(=O)oc3c2)nc1 ZINC000794932737 629706407 /nfs/dbraw/zinc/70/64/07/629706407.db2.gz JUXHQULWXILQNL-UHFFFAOYSA-N 0 1 298.302 2.773 20 30 CFEDMN CC(C)n1nccc1/C=C\C(=O)c1ccc(O)cc1O ZINC000794941761 629707437 /nfs/dbraw/zinc/70/74/37/629707437.db2.gz XJARONLFWNNEPW-UTCJRWHESA-N 0 1 272.304 2.771 20 30 CFEDMN CC(C)N1CC(=NNCc2ccccc2N(C)C)[C@@H](C)C1 ZINC000794956084 629709172 /nfs/dbraw/zinc/70/91/72/629709172.db2.gz MZBMRFVELTUNGQ-AWEZNQCLSA-N 0 1 288.439 2.558 20 30 CFEDMN Fc1cccc2[nH]cc(C=NNc3cncnc3)c21 ZINC000794970899 629713105 /nfs/dbraw/zinc/71/31/05/629713105.db2.gz FFSLRIPUJOSRRG-UHFFFAOYSA-N 0 1 255.256 2.543 20 30 CFEDMN C[C@H]1CC(N=Nc2cncnc2)CN1Cc1ccccc1 ZINC000794976204 629713776 /nfs/dbraw/zinc/71/37/76/629713776.db2.gz GVKJRHZUOFIRSU-ZDUSSCGKSA-N 0 1 281.363 2.539 20 30 CFEDMN CC1(C)CC(=NNc2cncnc2)c2ccccc21 ZINC000794977131 629714608 /nfs/dbraw/zinc/71/46/08/629714608.db2.gz XWHXVTKVUACVNV-UHFFFAOYSA-N 0 1 252.321 2.974 20 30 CFEDMN Clc1ccc(-n2cc(CN=Nc3cncnc3)cn2)cc1 ZINC000794978685 629714970 /nfs/dbraw/zinc/71/49/70/629714970.db2.gz QIMQKTNSNLKWHG-UHFFFAOYSA-N 0 1 298.737 2.762 20 30 CFEDMN CC(=NNc1cccc(F)n1)c1cnc(C)s1 ZINC000795006564 629722818 /nfs/dbraw/zinc/72/28/18/629722818.db2.gz CPIFZUJTYHVFIY-UHFFFAOYSA-N 0 1 250.302 2.822 20 30 CFEDMN Fc1cccc(NN=C2CCOc3ccccc32)n1 ZINC000795006969 629722993 /nfs/dbraw/zinc/72/29/93/629722993.db2.gz VEPRRGGKUIUTQJ-UHFFFAOYSA-N 0 1 257.268 2.819 20 30 CFEDMN O=[N+]([O-])c1ccc(C=NNc2cccc(F)n2)cc1 ZINC000795008846 629723572 /nfs/dbraw/zinc/72/35/72/629723572.db2.gz PFQLQPLLBIQWHB-UHFFFAOYSA-N 0 1 260.228 2.575 20 30 CFEDMN C#C[C@H](C)N(C)c1ccnc2cc(F)c(OC)cc21 ZINC000795172009 629741783 /nfs/dbraw/zinc/74/17/83/629741783.db2.gz FEGGUCRITKCOOX-JTQLQIEISA-N 0 1 258.296 2.840 20 30 CFEDMN C[C@@H](CC(=O)C(C#N)C(=O)N1CCCC1)C1CCCCC1 ZINC000102117584 629753458 /nfs/dbraw/zinc/75/34/58/629753458.db2.gz IHYNYHPARCYHBI-DZGCQCFKSA-N 0 1 290.407 2.924 20 30 CFEDMN C=C[C@](C)(CC)C(=O)OCc1nc(C(C)C)n[nH]1 ZINC000795530041 629794773 /nfs/dbraw/zinc/79/47/73/629794773.db2.gz IUOUABZRTSEGMO-CYBMUJFWSA-N 0 1 251.330 2.574 20 30 CFEDMN C=C[C@](C)(CC)C(=O)OCc1n[nH]c(C(C)C)n1 ZINC000795530041 629794775 /nfs/dbraw/zinc/79/47/75/629794775.db2.gz IUOUABZRTSEGMO-CYBMUJFWSA-N 0 1 251.330 2.574 20 30 CFEDMN CO[C@H]1C[C@@H](N(C)Cc2cc(Cl)ccc2OCC#N)C1 ZINC000796225450 629892420 /nfs/dbraw/zinc/89/24/20/629892420.db2.gz CQHXTOZTEUIHFC-OKILXGFUSA-N 0 1 294.782 2.852 20 30 CFEDMN C=CCN1CCCC[C@H]1COC(=O)N1CCC[C@H](C)C1 ZINC000796571548 629936573 /nfs/dbraw/zinc/93/65/73/629936573.db2.gz MZCDNPTXSKGXNF-GJZGRUSLSA-N 0 1 280.412 2.895 20 30 CFEDMN C=CCC[C@@H](NCC(=O)N(CC)CC)c1ccco1 ZINC000796704252 629952971 /nfs/dbraw/zinc/95/29/71/629952971.db2.gz MSJSRCSPTZEBKP-CYBMUJFWSA-N 0 1 264.369 2.745 20 30 CFEDMN Cc1cc(C(C#N)C(=O)C2CC(C)(C)C2)nc(C)n1 ZINC000796775143 629964038 /nfs/dbraw/zinc/96/40/38/629964038.db2.gz JFEQNZPFXVRKSY-GFCCVEGCSA-N 0 1 257.337 2.706 20 30 CFEDMN CCCCCNC(=O)C(C#N)C(=O)CC[C@@H](C)CC ZINC000796779952 629965373 /nfs/dbraw/zinc/96/53/73/629965373.db2.gz QLKQLVPUEOMGAE-QWHCGFSZSA-N 0 1 266.385 2.828 20 30 CFEDMN CC(C)NC(=O)[C@H](C#N)C(=O)[C@@H]1CCC[C@@H]2CCCC[C@@H]12 ZINC000796791723 629968349 /nfs/dbraw/zinc/96/83/49/629968349.db2.gz GMXTUDZIIMYBKH-GBJTYRQASA-N 0 1 290.407 2.826 20 30 CFEDMN C=CC[N@@H+](CC(=O)[N-]OCc1ccccc1)C(C)(C)C ZINC000852554113 634778055 /nfs/dbraw/zinc/77/80/55/634778055.db2.gz CMGKEFWVNFUSGK-UHFFFAOYSA-N 0 1 276.380 2.521 20 30 CFEDMN C=CCN(CC(=O)Nc1ccc(O)cc1)C(C)(C)C ZINC000852552727 634778198 /nfs/dbraw/zinc/77/81/98/634778198.db2.gz CZKMAMUUDDVEKZ-UHFFFAOYSA-N 0 1 262.353 2.617 20 30 CFEDMN C=CCOC(=O)[C@H]1CN(Cc2ccccc2)CCC1(F)F ZINC000796837865 629976482 /nfs/dbraw/zinc/97/64/82/629976482.db2.gz DOXKLEURDYVJMJ-CQSZACIVSA-N 0 1 295.329 2.873 20 30 CFEDMN C=CCNC(=O)CN[C@@H](C)c1cc(C)c(OC)c(Cl)c1 ZINC000796897936 629986735 /nfs/dbraw/zinc/98/67/35/629986735.db2.gz MRFRNRUSZBJLGP-NSHDSACASA-N 0 1 296.798 2.610 20 30 CFEDMN CC[C@@](C)(C#N)C(=O)Nc1ccc(CN(C)C)c(F)c1 ZINC000796946927 629994058 /nfs/dbraw/zinc/99/40/58/629994058.db2.gz GKJGTQPJAOFCAO-HNNXBMFYSA-N 0 1 277.343 2.766 20 30 CFEDMN CC[C@](C)(C#N)C(=O)O[C@@H]1CCN(Cc2ccccc2)C1 ZINC000797037628 630006696 /nfs/dbraw/zinc/00/66/96/630006696.db2.gz FYCCZPDRHJKHCG-NVXWUHKLSA-N 0 1 286.375 2.744 20 30 CFEDMN C=CCN(Cc1ccc([N+](=O)[O-])cc1OC)C(C)C ZINC000797516254 630076746 /nfs/dbraw/zinc/07/67/46/630076746.db2.gz FLQKKATWTXPBTB-UHFFFAOYSA-N 0 1 264.325 3.000 20 30 CFEDMN C=CC[C@H](CCc1ccccc1)OC(=O)CCc1nc[nH]n1 ZINC000797564217 630081112 /nfs/dbraw/zinc/08/11/12/630081112.db2.gz GANBPKVNHQGXCX-OAHLLOKOSA-N 0 1 299.374 2.858 20 30 CFEDMN CCCc1occc1C(=O)C(C#N)C(=O)Nc1ccccn1 ZINC000798817955 630241262 /nfs/dbraw/zinc/24/12/62/630241262.db2.gz JQYJYHUJJIGHPQ-GFCCVEGCSA-N 0 1 297.314 2.588 20 30 CFEDMN N#CC(C(=O)Nc1ccccn1)C(=O)c1ccoc1C1CC1 ZINC000798817669 630241615 /nfs/dbraw/zinc/24/16/15/630241615.db2.gz DPPJOEVURAEJHG-LBPRGKRZSA-N 0 1 295.298 2.513 20 30 CFEDMN COc1ccccc1CON=C1C[N@H+](C2CC2)C[C@@H]1C ZINC000799116704 630277454 /nfs/dbraw/zinc/27/74/54/630277454.db2.gz AAKVJLXCPPZIAQ-LBPRGKRZSA-N 0 1 274.364 2.682 20 30 CFEDMN COc1ccccc1CON=C1CN(C2CC2)C[C@@H]1C ZINC000799116704 630277456 /nfs/dbraw/zinc/27/74/56/630277456.db2.gz AAKVJLXCPPZIAQ-LBPRGKRZSA-N 0 1 274.364 2.682 20 30 CFEDMN C=CCN1CC[C@@H](N[C@@H](CC)c2ccccc2OC)C1=O ZINC000799156498 630280841 /nfs/dbraw/zinc/28/08/41/630280841.db2.gz WDLVPOKGFZIVPK-LSDHHAIUSA-N 0 1 288.391 2.523 20 30 CFEDMN N#Cc1ccc(CNCc2cc(C(F)(F)F)n[nH]2)cc1 ZINC000799333792 630299913 /nfs/dbraw/zinc/29/99/13/630299913.db2.gz HNRUFYAIHVCUOU-UHFFFAOYSA-N 0 1 280.253 2.590 20 30 CFEDMN CC(=NNCCN1CCCCC1)c1coc(C(C)C)n1 ZINC000799477133 630312000 /nfs/dbraw/zinc/31/20/00/630312000.db2.gz HWWRQWKZHQSQPQ-UHFFFAOYSA-N 0 1 278.400 2.598 20 30 CFEDMN Cc1ccc(F)c(N=NCc2ncc(Cl)n2C)c1 ZINC000799483783 630313381 /nfs/dbraw/zinc/31/33/81/630313381.db2.gz NCCRRDWNPLTASS-UHFFFAOYSA-N 0 1 266.707 2.967 20 30 CFEDMN CCOC(=O)c1cc(C=NNc2ncccc2C)[nH]c1C ZINC000799484755 630313942 /nfs/dbraw/zinc/31/39/42/630313942.db2.gz CTYQSSQYFSPJAJ-UHFFFAOYSA-N 0 1 286.335 2.649 20 30 CFEDMN N#CC(C(=O)NC1CCCC1)C(=O)[C@H]1CCCC(F)(F)C1 ZINC000800385714 630376497 /nfs/dbraw/zinc/37/64/97/630376497.db2.gz DKOOQDXBEOIOIR-CMPLNLGQSA-N 0 1 298.333 2.580 20 30 CFEDMN C[C@H]1CC[C@H](C=Nn2c(=O)c3ccccc3[nH]c2=S)C1 ZINC000800809302 630406246 /nfs/dbraw/zinc/40/62/46/630406246.db2.gz IPRDEAGSBLAZPM-QWRGUYRKSA-N 0 1 287.388 2.955 20 30 CFEDMN CC(=NNc1ccc(Cl)nc1)c1cn(C)c(C)n1 ZINC000800813805 630407457 /nfs/dbraw/zinc/40/74/57/630407457.db2.gz JWGVJKMHOMRHIC-UHFFFAOYSA-N 0 1 263.732 2.613 20 30 CFEDMN C=CCN(Cc1ccc([N+](=O)[O-])c(F)c1)C1CC1 ZINC000801526438 630453202 /nfs/dbraw/zinc/45/32/02/630453202.db2.gz PHJCXSIDLJYGBC-UHFFFAOYSA-N 0 1 250.273 2.884 20 30 CFEDMN C=C(Br)CNC(=O)c1cccc2nc(C)[nH]c21 ZINC000801845088 630477110 /nfs/dbraw/zinc/47/71/10/630477110.db2.gz JLDVJSQWKAYFLG-UHFFFAOYSA-N 0 1 294.152 2.510 20 30 CFEDMN CC(C)(C)c1cnc(C(C#N)C(=O)C2=CCOCC2)s1 ZINC000802249821 630519096 /nfs/dbraw/zinc/51/90/96/630519096.db2.gz GSVPCMUQXKIBBK-NSHDSACASA-N 0 1 290.388 2.964 20 30 CFEDMN CC(C)(C)c1cnc([C@@H](C#N)C(=O)C2=CCOCC2)s1 ZINC000802249821 630519100 /nfs/dbraw/zinc/51/91/00/630519100.db2.gz GSVPCMUQXKIBBK-NSHDSACASA-N 0 1 290.388 2.964 20 30 CFEDMN COCCCn1nccc1/C=C\C(=O)c1ccccc1O ZINC000802705859 630538811 /nfs/dbraw/zinc/53/88/11/630538811.db2.gz VIBUAYMKYOBBPR-FPLPWBNLSA-N 0 1 286.331 2.521 20 30 CFEDMN C=CCCCCCN(C)CN1C[C@@H](C)[C@@H](C)C1=O ZINC000840005853 630629105 /nfs/dbraw/zinc/62/91/05/630629105.db2.gz FIDKSECXQLVRIK-ZIAGYGMSSA-N 0 1 252.402 2.737 20 30 CFEDMN CCc1cc(CNc2nc(Cl)c(C#N)s2)n[nH]1 ZINC000804451356 630682600 /nfs/dbraw/zinc/68/26/00/630682600.db2.gz HDGBRAWNOTZSSV-UHFFFAOYSA-N 0 1 267.745 2.566 20 30 CFEDMN CCN1C[C@@H](C)N(c2nc(Cl)c(C#N)s2)C[C@@H]1C ZINC000804586578 630761103 /nfs/dbraw/zinc/76/11/03/630761103.db2.gz IRWHCZAICZYZEZ-DTWKUNHWSA-N 0 1 284.816 2.587 20 30 CFEDMN CN(Cc1cc2c(cc1O)CCC2)CC(C)(C)C#N ZINC000840075267 630834377 /nfs/dbraw/zinc/83/43/77/630834377.db2.gz XRSXDBGDFCUKNU-UHFFFAOYSA-N 0 1 258.365 2.862 20 30 CFEDMN CCC(=NNc1ccc([N+](=O)[O-])cc1C)c1nccn1C ZINC000807990617 630932476 /nfs/dbraw/zinc/93/24/76/630932476.db2.gz AZPVINROGRFJHB-UHFFFAOYSA-N 0 1 287.323 2.863 20 30 CFEDMN CC(=NN[C@H]1CCSC1)c1ccc(F)cc1N(C)C ZINC000808002189 630937698 /nfs/dbraw/zinc/93/76/98/630937698.db2.gz WDJOTLCGJOFIBO-LBPRGKRZSA-N 0 1 281.400 2.711 20 30 CFEDMN CCN(C)c1ccc(C=NNCC2CCCC2)cn1 ZINC000808006540 630940251 /nfs/dbraw/zinc/94/02/51/630940251.db2.gz VIIVSIGRCGWEER-UHFFFAOYSA-N 0 1 260.385 2.651 20 30 CFEDMN C#CCCOc1ccc(CNCc2ccc(OC)nc2)cc1 ZINC000113318779 635532594 /nfs/dbraw/zinc/53/25/94/635532594.db2.gz LISIVIOXVSBXGM-UHFFFAOYSA-N 0 1 296.370 2.782 20 30 CFEDMN CC(C)(C)C#CC(=O)N[C@H]1CCCN(Cc2ccccc2)C1 ZINC000837340629 631005855 /nfs/dbraw/zinc/00/58/55/631005855.db2.gz MWJHYCHVPBEEBB-KRWDZBQOSA-N 0 1 298.430 2.817 20 30 CFEDMN C#C[C@H](N[C@@H]1CCc2c1ccc(OC)c2F)[C@H]1CCCO1 ZINC000808715174 631032980 /nfs/dbraw/zinc/03/29/80/631032980.db2.gz SKTZWYWTRQXGNO-RRFJBIMHSA-N 0 1 289.350 2.592 20 30 CFEDMN CC1(CC(=O)[C@@H](C#N)C(=O)NC2CCCC2)CCCC1 ZINC000808977925 631061600 /nfs/dbraw/zinc/06/16/00/631061600.db2.gz AREZCNDNMUJWBO-CYBMUJFWSA-N 0 1 276.380 2.724 20 30 CFEDMN CC[C@@H](C)c1nc([C@H](C)NC(=O)C#CC(C)(C)C)n[nH]1 ZINC000837573468 631072271 /nfs/dbraw/zinc/07/22/71/631072271.db2.gz CROABMXXXLNRMY-MNOVXSKESA-N 0 1 276.384 2.545 20 30 CFEDMN Cc1ccc2nc(NC(=O)C#CC(C)(C)C)[nH]c2c1 ZINC000837666225 631102417 /nfs/dbraw/zinc/10/24/17/631102417.db2.gz QDPFCMCKVHITAR-UHFFFAOYSA-N 0 1 255.321 2.859 20 30 CFEDMN C=CC1CCN(Cc2cnc([C@@H](C)O)s2)CC1 ZINC000809574518 631239071 /nfs/dbraw/zinc/23/90/71/631239071.db2.gz LUZHUSRUQUUVHL-SNVBAGLBSA-N 0 1 252.383 2.594 20 30 CFEDMN C=CC[C@H](NCc1cnc([C@@H](C)O)s1)c1ccncc1 ZINC000809621101 631248578 /nfs/dbraw/zinc/24/85/78/631248578.db2.gz VGFQCUOMGVRCFN-RISCZKNCSA-N 0 1 289.404 2.998 20 30 CFEDMN C#CCCCNCc1nc2ccccn2c1Br ZINC000809624943 631249729 /nfs/dbraw/zinc/24/97/29/631249729.db2.gz UVPZNLMEGQZDPZ-UHFFFAOYSA-N 0 1 292.180 2.600 20 30 CFEDMN C#C[C@@H](NCc1ncccc1C(F)(F)F)C(C)C ZINC000809685430 631262287 /nfs/dbraw/zinc/26/22/87/631262287.db2.gz SXPSTZBCWOIOOD-LLVKDONJSA-N 0 1 256.271 2.848 20 30 CFEDMN Cc1nonc1CNC1CCC(C#N)(c2ccccc2)CC1 ZINC000809744519 631277236 /nfs/dbraw/zinc/27/72/36/631277236.db2.gz OSJCKWYUDNJOOW-UHFFFAOYSA-N 0 1 296.374 2.872 20 30 CFEDMN N#Cc1csc(CNCCCOc2ccccc2F)n1 ZINC000810126228 631328115 /nfs/dbraw/zinc/32/81/15/631328115.db2.gz ULATYFJDSGGHIO-UHFFFAOYSA-N 0 1 291.351 2.713 20 30 CFEDMN CCCCCNC(=O)C(C#N)C(=O)C1(F)CCCCC1 ZINC000810528416 631382182 /nfs/dbraw/zinc/38/21/82/631382182.db2.gz UNYYBIMNNAVPTN-GFCCVEGCSA-N 0 1 282.359 2.674 20 30 CFEDMN N#C[C@H](C(=O)NC1CCCCC1)C(=O)C1(F)CCCCC1 ZINC000810529866 631382555 /nfs/dbraw/zinc/38/25/55/631382555.db2.gz PYTVCPFBJMNXAO-ZDUSSCGKSA-N 0 1 294.370 2.817 20 30 CFEDMN N#C[C@@H](C(=O)NC1CCCCC1)C(=O)C1(F)CCCCC1 ZINC000810529865 631382694 /nfs/dbraw/zinc/38/26/94/631382694.db2.gz PYTVCPFBJMNXAO-CYBMUJFWSA-N 0 1 294.370 2.817 20 30 CFEDMN CC(C)(C)[C@H](C#N)OC(=O)[C@]1(F)CCN(C(C)(C)C)C1 ZINC000810666789 631422692 /nfs/dbraw/zinc/42/26/92/631422692.db2.gz UZAUDBXMEYKWTN-NHYWBVRUSA-N 0 1 284.375 2.680 20 30 CFEDMN CC(C)(C)N1CC[C@](F)(C(=O)OCC(C)(C)CC#N)C1 ZINC000810676500 631425321 /nfs/dbraw/zinc/42/53/21/631425321.db2.gz SPVOZHXWFXHGBB-OAHLLOKOSA-N 0 1 284.375 2.682 20 30 CFEDMN Cc1cc(C=NNc2ccc(C(F)(F)F)cn2)nn1C ZINC000841602167 631428180 /nfs/dbraw/zinc/42/81/80/631428180.db2.gz AUZPQDPZMZNFFN-UHFFFAOYSA-N 0 1 283.257 2.588 20 30 CFEDMN COCCCCN(C)Cn1ccc(-c2ccc(C#N)cc2)n1 ZINC000841690260 631452607 /nfs/dbraw/zinc/45/26/07/631452607.db2.gz DNKNYTIYBIXMRB-UHFFFAOYSA-N 0 1 298.390 2.738 20 30 CFEDMN C#CC[C@@H](NC(=O)N1CCNC[C@H]1CCC)c1ccccc1 ZINC000841865612 631484228 /nfs/dbraw/zinc/48/42/28/631484228.db2.gz UQERRENCVZQFTE-IAGOWNOFSA-N 0 1 299.418 2.535 20 30 CFEDMN N#CC1(CN[C@@H]2CCN(c3ccccc3)C2)CCC1 ZINC000841899887 631491354 /nfs/dbraw/zinc/49/13/54/631491354.db2.gz YLQHEIXLOQFTFR-CQSZACIVSA-N 0 1 255.365 2.549 20 30 CFEDMN CC[C@@H](CC1CCCC1)C(=O)C(C#N)C(=O)NC1CC1 ZINC000842288754 631580403 /nfs/dbraw/zinc/58/04/03/631580403.db2.gz JUDQHXHKNUQNQG-GXTWGEPZSA-N 0 1 276.380 2.580 20 30 CFEDMN C#CCN1CCC(C(=O)N2CCCC(CC)(CC)C2)CC1 ZINC000855821365 635660912 /nfs/dbraw/zinc/66/09/12/635660912.db2.gz CNWQCWJQEPTPMA-UHFFFAOYSA-N 0 1 290.451 2.760 20 30 CFEDMN CC(C)CC(=NNCCN1CCCCC1)c1ccncc1 ZINC000842523865 631651842 /nfs/dbraw/zinc/65/18/42/631651842.db2.gz BGDITYOELPHHGN-UHFFFAOYSA-N 0 1 288.439 2.907 20 30 CFEDMN Cc1cccnc1N=NCc1ccnn1CC(C)C ZINC000842531104 631653401 /nfs/dbraw/zinc/65/34/01/631653401.db2.gz GWPRWGMQKNTMNB-UHFFFAOYSA-N 0 1 257.341 2.689 20 30 CFEDMN c1cc2c3c(c1)C(=NNC14CC(C1)C4)CC[C@H]3CN2 ZINC000842543658 631660110 /nfs/dbraw/zinc/66/01/10/631660110.db2.gz LFWRMMAYZABCOX-CSJGVYOVSA-N 0 1 253.349 2.836 20 30 CFEDMN COc1ncc(C=NNc2nccnc2C(C)C)s1 ZINC000812230545 631671192 /nfs/dbraw/zinc/67/11/92/631671192.db2.gz YXCUJTIVDUCIQD-UHFFFAOYSA-N 0 1 277.353 2.511 20 30 CFEDMN CC(=NOC1CCC1)c1ccc(N2CCOCC2)cc1 ZINC000812235682 631673547 /nfs/dbraw/zinc/67/35/47/631673547.db2.gz NRKFXQBCUDRLIB-UHFFFAOYSA-N 0 1 274.364 2.816 20 30 CFEDMN C#CC1CCN(Cn2ccc(-c3ccccc3)n2)CC1 ZINC000842634307 631688297 /nfs/dbraw/zinc/68/82/97/631688297.db2.gz SZQXQOCAGNIAGA-UHFFFAOYSA-N 0 1 265.360 2.853 20 30 CFEDMN COC1(C(=O)[C@H](C#N)c2nc3ccccc3s2)CC1 ZINC000842682511 631705822 /nfs/dbraw/zinc/70/58/22/631705822.db2.gz YWQAROJAMKPGHJ-VIFPVBQESA-N 0 1 272.329 2.652 20 30 CFEDMN COCC1(CC(=O)[C@@H](C#N)c2nc3cccc(C)c3[nH]2)CC1 ZINC000842721709 631717459 /nfs/dbraw/zinc/71/74/59/631717459.db2.gz IZPRKSCCSWYIOT-GFCCVEGCSA-N 0 1 297.358 2.864 20 30 CFEDMN COC1(C(=O)C(C#N)c2nc(C(C)C)cs2)CC1 ZINC000842728218 631719955 /nfs/dbraw/zinc/71/99/55/631719955.db2.gz BZPIRRIBYJJKQZ-VIFPVBQESA-N 0 1 264.350 2.622 20 30 CFEDMN C#C[C@H](N[C@@H]1CCCc2ccc(O)cc21)[C@@H]1CCCO1 ZINC000812731708 631764123 /nfs/dbraw/zinc/76/41/23/631764123.db2.gz RCNJQJMZEDLFRP-BBWFWOEESA-N 0 1 271.360 2.540 20 30 CFEDMN C#C[C@H](N[C@H]1CCCc2c(O)cccc21)[C@@H]1CCCO1 ZINC000812731464 631764724 /nfs/dbraw/zinc/76/47/24/631764724.db2.gz LREUFRQYZTVUFA-ZOBUZTSGSA-N 0 1 271.360 2.540 20 30 CFEDMN C#C[C@H](N[C@H]1CCCc2ccc(O)cc21)[C@@H]1CCCO1 ZINC000812731710 631764758 /nfs/dbraw/zinc/76/47/58/631764758.db2.gz RCNJQJMZEDLFRP-ULQDDVLXSA-N 0 1 271.360 2.540 20 30 CFEDMN C#C[C@H](NC(=O)c1n[nH]c2ccccc21)c1ccc(F)cc1 ZINC000812752238 631767621 /nfs/dbraw/zinc/76/76/21/631767621.db2.gz ZMVCMTGDVIXGEE-AWEZNQCLSA-N 0 1 293.301 2.806 20 30 CFEDMN N#CC(C(=O)C1=CCOCC1)c1nc(C2CC2)cs1 ZINC000842942592 631788098 /nfs/dbraw/zinc/78/80/98/631788098.db2.gz BZVYVMPMUAUPIN-LLVKDONJSA-N 0 1 274.345 2.543 20 30 CFEDMN CCC[C@@H]1C[C@H]1C(=O)C(C#N)C(=O)Nc1ccccc1 ZINC000813060168 631822433 /nfs/dbraw/zinc/82/24/33/631822433.db2.gz RTWOWKHIOYKRRY-BNOWGMLFSA-N 0 1 270.332 2.770 20 30 CFEDMN C#CCN(CC(=O)N[C@@H]1CCCC[C@H]1C)C1CCCC1 ZINC000155784308 650031591 /nfs/dbraw/zinc/03/15/91/650031591.db2.gz AXRCSLDBVTXJBF-GDBMZVCRSA-N 0 1 276.424 2.559 20 30 CFEDMN CC(C)C[C@@](C)(C#N)NC(=O)[C@]1(F)CCN(C(C)(C)C)C1 ZINC000813061491 631822650 /nfs/dbraw/zinc/82/26/50/631822650.db2.gz JAJVQJMCXUVQFW-HOTGVXAUSA-N 0 1 297.418 2.643 20 30 CFEDMN C#CCN(CC(=O)N1[C@H](C)CCC[C@@H]1C)C1CCCC1 ZINC000155839849 650033979 /nfs/dbraw/zinc/03/39/79/650033979.db2.gz LUBXLRHKXLMEOG-GASCZTMLSA-N 0 1 276.424 2.654 20 30 CFEDMN N#CC(C(=O)C1=COCCC1)c1cc(C(F)(F)F)ccn1 ZINC000813216966 631882682 /nfs/dbraw/zinc/88/26/82/631882682.db2.gz ISCRXLUUABLBDW-NSHDSACASA-N 0 1 296.248 2.971 20 30 CFEDMN COc1ccc(O)c([C@H](C)NCc2ccc(C#N)o2)c1 ZINC000813331422 631904183 /nfs/dbraw/zinc/90/41/83/631904183.db2.gz OOELWLLEZSFFKC-JTQLQIEISA-N 0 1 272.304 2.716 20 30 CFEDMN O=C(/C=C\c1cnn(CC(F)F)c1)c1ccccc1O ZINC000814190986 632028912 /nfs/dbraw/zinc/02/89/12/632028912.db2.gz XPLKBGFCRNHCBZ-WAYWQWQTSA-N 0 1 278.258 2.750 20 30 CFEDMN Fc1cccc(N=NCc2cnn(CC(F)F)c2)c1F ZINC000814222665 632040964 /nfs/dbraw/zinc/04/09/64/632040964.db2.gz RGKGIKRFWJYGFG-UHFFFAOYSA-N 0 1 286.232 2.872 20 30 CFEDMN Oc1c(Br)cccc1C=NOCC1CC1 ZINC000814243130 632043647 /nfs/dbraw/zinc/04/36/47/632043647.db2.gz HDDIKANJWIZHSP-UHFFFAOYSA-N 0 1 270.126 2.915 20 30 CFEDMN COc1cc(C(C)=NOCCC2CC2)cc([N+](=O)[O-])c1O ZINC000814246352 632044311 /nfs/dbraw/zinc/04/43/11/632044311.db2.gz JBLQQGUXAONOOX-UHFFFAOYSA-N 0 1 294.307 2.850 20 30 CFEDMN CC(N=Nc1cccc([N+](=O)[O-])c1)c1cccc(CO)c1 ZINC000814694536 632109883 /nfs/dbraw/zinc/10/98/83/632109883.db2.gz OMIMUWSNLPFKDC-UHFFFAOYSA-N 0 1 285.303 2.923 20 30 CFEDMN Brc1ccc(CN=Nc2ccccn2)o1 ZINC000814732118 632115272 /nfs/dbraw/zinc/11/52/72/632115272.db2.gz YOFRYKYNJUYMNQ-UHFFFAOYSA-N 0 1 266.098 2.883 20 30 CFEDMN Cc1cc(N=NCc2cccnc2Cl)nc(C)n1 ZINC000814807060 632129173 /nfs/dbraw/zinc/12/91/73/632129173.db2.gz DHSIQUKDMJTOPS-UHFFFAOYSA-N 0 1 261.716 2.588 20 30 CFEDMN c1ccc2c(c1)[nH]c1c2CC(=NNCCN2CCCCC2)C1 ZINC000814808587 632129611 /nfs/dbraw/zinc/12/96/11/632129611.db2.gz PRTMXZUUSOPGOI-UHFFFAOYSA-N 0 1 296.418 2.698 20 30 CFEDMN Nc1ccc2c(c1)C(=[NH+][N-]c1ccc(F)cn1)CCC2 ZINC000814842308 632137053 /nfs/dbraw/zinc/13/70/53/632137053.db2.gz BJIAMZZPTOKJGR-UHFFFAOYSA-N 0 1 270.311 2.955 20 30 CFEDMN COc1ccc2c(c1OC)OCC2=NNc1cc(C)ccn1 ZINC000814868407 632143352 /nfs/dbraw/zinc/14/33/52/632143352.db2.gz QZYWHVLSFOHZLG-UHFFFAOYSA-N 0 1 299.330 2.616 20 30 CFEDMN Cc1cccnc1NN=Cc1ncc(Cl)s1 ZINC000814911685 632161528 /nfs/dbraw/zinc/16/15/28/632161528.db2.gz QWWMBGOQJZKHRC-UHFFFAOYSA-N 0 1 252.730 2.946 20 30 CFEDMN Cc1ccc[nH+]c1[N-]N=Cc1ncc(Cl)s1 ZINC000814911685 632161533 /nfs/dbraw/zinc/16/15/33/632161533.db2.gz QWWMBGOQJZKHRC-UHFFFAOYSA-N 0 1 252.730 2.946 20 30 CFEDMN Fc1cc2c(c(F)c1)C(=NN=c1nc[nH]cc1Cl)CO2 ZINC000814910202 632160894 /nfs/dbraw/zinc/16/08/94/632160894.db2.gz WTFAIWZQNKVNJZ-UHFFFAOYSA-N 0 1 296.664 2.617 20 30 CFEDMN C[C@H]1C(N=Nc2cnn(C)c2)CCCN1Cc1ccccc1 ZINC000814915369 632163679 /nfs/dbraw/zinc/16/36/79/632163679.db2.gz URYWKODDYXHJII-AWEZNQCLSA-N 0 1 297.406 2.873 20 30 CFEDMN Cn1ncc(C=NNc2cccc(F)c2[N+](=O)[O-])c1Cl ZINC000814919568 632165455 /nfs/dbraw/zinc/16/54/55/632165455.db2.gz WEYAQOIQWSPNJB-UHFFFAOYSA-N 0 1 297.677 2.567 20 30 CFEDMN CC(C)c1c(Cl)ncnc1N=NCc1cocn1 ZINC000814921867 632165955 /nfs/dbraw/zinc/16/59/55/632165955.db2.gz HDJRMJCGHFOXLF-UHFFFAOYSA-N 0 1 265.704 2.687 20 30 CFEDMN Nc1ccc2c(c1)C(=NNCCc1ccccn1)CCC2 ZINC000814925070 632167140 /nfs/dbraw/zinc/16/71/40/632167140.db2.gz OONUEUWNAUPAPP-UHFFFAOYSA-N 0 1 280.375 2.537 20 30 CFEDMN NC(=O)c1ccc(CN=Nc2ccc(F)c(F)c2F)cc1 ZINC000814945420 632176895 /nfs/dbraw/zinc/17/68/95/632176895.db2.gz BWRKJVPQKGKCSE-UHFFFAOYSA-N 0 1 293.248 2.649 20 30 CFEDMN CC(=NNc1ccc(F)c(F)c1F)c1cc(C)nn1C ZINC000814945856 632177885 /nfs/dbraw/zinc/17/78/85/632177885.db2.gz UAHXGCKQJBBVCI-UHFFFAOYSA-N 0 1 282.269 2.982 20 30 CFEDMN Cc1ccc2cc(C(C)N=Nc3cnnn3C)oc2c1 ZINC000814983507 632185375 /nfs/dbraw/zinc/18/53/75/632185375.db2.gz LPBFKOWYVMSELC-UHFFFAOYSA-N 0 1 269.308 2.706 20 30 CFEDMN CC(C)CN(CCC#N)C[C@H](O)Cc1ccc(F)cc1 ZINC000815052518 632191838 /nfs/dbraw/zinc/19/18/38/632191838.db2.gz RHZDNGIDTPXOMP-MRXNPFEDSA-N 0 1 278.371 2.601 20 30 CFEDMN C#C[C@@H](NCc1cc(C)cc(Cl)c1)[C@H]1CCCO1 ZINC000815136171 632213419 /nfs/dbraw/zinc/21/34/19/632213419.db2.gz QCZHMZKKFHWWRV-HUUCEWRRSA-N 0 1 263.768 2.919 20 30 CFEDMN CC(C)CC(=NNC1=NC[C@H](C)N1)c1ccc(F)cc1 ZINC000844589947 632256429 /nfs/dbraw/zinc/25/64/29/632256429.db2.gz MBYJXHHVXWPZBG-NSHDSACASA-N 0 1 276.359 2.513 20 30 CFEDMN COc1cccc2c1OC(C)(C)CC2=NNc1ccncn1 ZINC000844600736 632260646 /nfs/dbraw/zinc/26/06/46/632260646.db2.gz OFOFJDBYLRPSOV-UHFFFAOYSA-N 0 1 298.346 2.863 20 30 CFEDMN Cc1c(N=NC2C[N@@H+](C(C)C)C[C@@H]2C)cccc1C(=O)[O-] ZINC000844625360 632268807 /nfs/dbraw/zinc/26/88/07/632268807.db2.gz ZZIYGQJWKWZXOK-NSHDSACASA-N 0 1 289.379 2.821 20 30 CFEDMN CC#CCCOC(=O)[C@@H]1CCCCN1C1CCCC1 ZINC000815445662 632274618 /nfs/dbraw/zinc/27/46/18/632274618.db2.gz FRNZZRSZTFLCLJ-HNNXBMFYSA-N 0 1 263.381 2.740 20 30 CFEDMN C=CCS(=O)(=O)CCN[C@H](C)c1cccc(C2CC2)c1 ZINC000815615326 632297854 /nfs/dbraw/zinc/29/78/54/632297854.db2.gz NQAZMNKQTUWLAU-CYBMUJFWSA-N 0 1 293.432 2.815 20 30 CFEDMN CCc1ccc(C#CC(=O)Nc2cc(Cl)[nH]n2)cc1 ZINC000815856430 632326405 /nfs/dbraw/zinc/32/64/05/632326405.db2.gz LHELVDBTJNBICX-UHFFFAOYSA-N 0 1 273.723 2.616 20 30 CFEDMN CCCCCCNC(=O)C(C#N)C(=O)[C@H](C)C(C)(F)F ZINC000815904874 632331009 /nfs/dbraw/zinc/33/10/09/632331009.db2.gz SEPXYNXWEZLKDF-WDEREUQCSA-N 0 1 288.338 2.683 20 30 CFEDMN Cc1cccc2nc([C@@H](C#N)C(=O)CC3(C#N)CC3)[nH]c21 ZINC000815955294 632339796 /nfs/dbraw/zinc/33/97/96/632339796.db2.gz WFZFAQUACWCDGW-NSHDSACASA-N 0 1 278.315 2.741 20 30 CFEDMN N#CC(C(=O)C[C@H]1CCCO1)=C(O)C1(c2ccccc2)CC1 ZINC000845840086 632578135 /nfs/dbraw/zinc/57/81/35/632578135.db2.gz ZMANEZCCZBWLAG-CABCVRRESA-N 0 1 297.354 2.565 20 30 CFEDMN CCO[C@H](CC)C(O)=C(C#N)C(=O)C1(c2ccccc2)CC1 ZINC000845840036 632578794 /nfs/dbraw/zinc/57/87/94/632578794.db2.gz YNAYKZHJOBVVQO-HUUCEWRRSA-N 0 1 299.370 2.811 20 30 CFEDMN CC(=O)CCCC(=O)C(C#N)=C(O)C1(c2ccccc2)CC1 ZINC000845847023 632579679 /nfs/dbraw/zinc/57/96/79/632579679.db2.gz XNXZFAWCWPJTFV-HNNXBMFYSA-N 0 1 297.354 2.755 20 30 CFEDMN Cc1nc2c(F)cccc2cc1C(=O)NC1=NO[C@@H](C)C1 ZINC000845901051 632595379 /nfs/dbraw/zinc/59/53/79/632595379.db2.gz XRFDHHLQRISTHP-QMMMGPOBSA-N 0 1 287.294 2.534 20 30 CFEDMN Nc1ccc2c(c1)C(=NNCC(F)F)CCCC2 ZINC000817326582 632602187 /nfs/dbraw/zinc/60/21/87/632602187.db2.gz ZCXZFNFATLWWSC-UHFFFAOYSA-N 0 1 253.296 2.554 20 30 CFEDMN N#CC1(CN[C@@H]2CCN(c3ccccc3)C2)CCCC1 ZINC000846011655 632613800 /nfs/dbraw/zinc/61/38/00/632613800.db2.gz XHTJDDLRYOEQDM-OAHLLOKOSA-N 0 1 269.392 2.939 20 30 CFEDMN Cc1ncc2c(n1)CCC[C@H]2NCc1ccc(C#N)c(F)c1 ZINC000817407433 632622034 /nfs/dbraw/zinc/62/20/34/632622034.db2.gz OELNQFJGGUTGLK-MRXNPFEDSA-N 0 1 296.349 2.963 20 30 CFEDMN C=CC[N@@H+](CC(=O)[O-])Cc1cnc2ccc(C)cc2c1 ZINC000846262171 632677132 /nfs/dbraw/zinc/67/71/32/632677132.db2.gz BZNUNTNPVBCJOI-UHFFFAOYSA-N 0 1 270.332 2.616 20 30 CFEDMN N#CC(C(=O)NC1CCCCC1)C(=O)[C@@H]1CC[C@@H]2C[C@@H]2C1 ZINC000817713264 632689852 /nfs/dbraw/zinc/68/98/52/632689852.db2.gz BDADVNIPTAOLJA-BHPKHCPMSA-N 0 1 288.391 2.580 20 30 CFEDMN N#CC(C(=O)Nc1ccccc1Cl)C(=O)[C@@H]1CC12CC2 ZINC000817713935 632690137 /nfs/dbraw/zinc/69/01/37/632690137.db2.gz IQJGWINSGTUJGM-ZJUUUORDSA-N 0 1 288.734 2.787 20 30 CFEDMN N#CC(C(=O)[C@@H]1CC[C@H]2C[C@H]2C1)c1nnc2n1CCCCC2 ZINC000817714060 632690298 /nfs/dbraw/zinc/69/02/98/632690298.db2.gz ZNFJUMFGFKSXFU-RFQIPJPRSA-N 0 1 298.390 2.617 20 30 CFEDMN C=C(C)CONC(=O)[C@@H]1CC(C)(C)Oc2ccccc21 ZINC000846533802 632724020 /nfs/dbraw/zinc/72/40/20/632724020.db2.gz FGFFCXVGOCIFGH-CYBMUJFWSA-N 0 1 275.348 2.955 20 30 CFEDMN C=C(C)CONC(=O)[C@@H]1CCSc2ccccc21 ZINC000846536970 632726312 /nfs/dbraw/zinc/72/63/12/632726312.db2.gz DYODFFSINWDZMD-GFCCVEGCSA-N 0 1 263.362 2.890 20 30 CFEDMN C=C[C@@H](C)ONC(=O)Cc1nc(-c2cccs2)oc1C ZINC000846542989 632731522 /nfs/dbraw/zinc/73/15/22/632731522.db2.gz FAXTWKBUSYEEHT-SECBINFHSA-N 0 1 292.360 2.876 20 30 CFEDMN C=C[C@H](C)ONC(=O)C(C)(C)c1cccc(F)c1 ZINC000846546035 632734421 /nfs/dbraw/zinc/73/44/21/632734421.db2.gz RXOVSGNPMOSKES-JTQLQIEISA-N 0 1 251.301 2.726 20 30 CFEDMN C=C[C@H](C)ONC(=O)[C@H](CC)c1ccc(OC)cc1 ZINC000846548161 632736442 /nfs/dbraw/zinc/73/64/42/632736442.db2.gz IBSQHPPVCXOPQO-SMDDNHRTSA-N 0 1 263.337 2.811 20 30 CFEDMN C=C[C@@H](C)ONC(=O)[C@H](CC)c1ccc(OC)cc1 ZINC000846548151 632736641 /nfs/dbraw/zinc/73/66/41/632736641.db2.gz IBSQHPPVCXOPQO-BXUZGUMPSA-N 0 1 263.337 2.811 20 30 CFEDMN Cc1cc(C#N)ccc1NC[C@@H]1CN(CC(C)C)CCO1 ZINC000846745111 632781774 /nfs/dbraw/zinc/78/17/74/632781774.db2.gz ASVSTWKGIPSQNM-MRXNPFEDSA-N 0 1 287.407 2.635 20 30 CFEDMN C=CCCn1cc(CN2CCC3(CCCC3)C2)nn1 ZINC000846809499 632805601 /nfs/dbraw/zinc/80/56/01/632805601.db2.gz QAYTVHIUFNWBGI-UHFFFAOYSA-N 0 1 260.385 2.620 20 30 CFEDMN C=CCn1cc(CN[C@H](C)c2c(C)cc(C)cc2O)nn1 ZINC000818347551 632836358 /nfs/dbraw/zinc/83/63/58/632836358.db2.gz RVTGNUIJTKKGOT-CYBMUJFWSA-N 0 1 286.379 2.637 20 30 CFEDMN C#C[C@@H]1CCCN(Cc2ccc(C(=O)OC)c(Cl)c2)C1 ZINC000847017282 632882054 /nfs/dbraw/zinc/88/20/54/632882054.db2.gz BEKJDZJBJQMGEL-GFCCVEGCSA-N 0 1 291.778 2.972 20 30 CFEDMN C#C[C@@H]1CCCN([C@H](C)C(=O)NC[C@H](C)c2ccccc2)C1 ZINC000847025694 632890393 /nfs/dbraw/zinc/89/03/93/632890393.db2.gz CVBFSPFCBHHYME-GVDBMIGSSA-N 0 1 298.430 2.640 20 30 CFEDMN C#C[C@H]1CCCN([C@@H](C)C(=O)Nc2ccccc2CC)C1 ZINC000847025090 632891237 /nfs/dbraw/zinc/89/12/37/632891237.db2.gz UYRXOHZLORPXOV-GJZGRUSLSA-N 0 1 284.403 2.921 20 30 CFEDMN C#C[C@H]1CCCN([C@H](C)C(=O)N(C)C2CCCCC2)C1 ZINC000847029171 632894406 /nfs/dbraw/zinc/89/44/06/632894406.db2.gz LMEMOQUUBUVADF-CABCVRRESA-N 0 1 276.424 2.511 20 30 CFEDMN C#C[C@H]1CCCN([C@@H](C)C(=O)Nc2ccc(C)c(C)c2)C1 ZINC000847029901 632894935 /nfs/dbraw/zinc/89/49/35/632894935.db2.gz OECFFJRLTQZODI-HOTGVXAUSA-N 0 1 284.403 2.976 20 30 CFEDMN C#C[C@H]1CCCN([C@@H](C)C(=O)Nc2ccccc2C)C1 ZINC000847031071 632895659 /nfs/dbraw/zinc/89/56/59/632895659.db2.gz SHEPUAGDDJLRBV-GJZGRUSLSA-N 0 1 270.376 2.667 20 30 CFEDMN C#C[C@@H]1CCCN([C@@H](C)C(=O)N(CC)c2ccccc2)C1 ZINC000847032984 632896354 /nfs/dbraw/zinc/89/63/54/632896354.db2.gz ZQCXXXAUBBNAIS-JKSUJKDBSA-N 0 1 284.403 2.773 20 30 CFEDMN C=C(Br)CNC[C@H](O)c1cccc(Cl)c1 ZINC000818978909 632912093 /nfs/dbraw/zinc/91/20/93/632912093.db2.gz CICUUSKXHIUACP-NSHDSACASA-N 0 1 290.588 2.872 20 30 CFEDMN C=C(Br)CNC[C@@H](O)c1ccc(C)cc1 ZINC000818979610 632920309 /nfs/dbraw/zinc/92/03/09/632920309.db2.gz RVAVBNRRSVXBCB-GFCCVEGCSA-N 0 1 270.170 2.527 20 30 CFEDMN C=C(Br)CNC[C@H](O)[C@H](C)c1ccccc1 ZINC000818978886 632920437 /nfs/dbraw/zinc/92/04/37/632920437.db2.gz BAEDHMVNGMSIQJ-YPMHNXCESA-N 0 1 284.197 2.649 20 30 CFEDMN N#CCCN[C@H]1CCCN(c2ccc(OC(F)F)cc2)C1 ZINC000819120370 632974745 /nfs/dbraw/zinc/97/47/45/632974745.db2.gz PMVLSAUORCYOCX-LBPRGKRZSA-N 0 1 295.333 2.760 20 30 CFEDMN CC(C)(C#N)CNC[C@@H](O)c1cccc(Cl)c1 ZINC000819218805 633024017 /nfs/dbraw/zinc/02/40/17/633024017.db2.gz KTCDJEHRJWHTGP-GFCCVEGCSA-N 0 1 252.745 2.513 20 30 CFEDMN O=C([O-])c1ccccc1N=NC1CCC[N@H+]2CCCC[C@@H]12 ZINC000848401656 633249552 /nfs/dbraw/zinc/24/95/52/633249552.db2.gz FDEKBTSTWAGXSK-HNNXBMFYSA-N 0 1 287.363 2.801 20 30 CFEDMN Fc1ccccc1CCNN=C1CCCN2CCCC[C@H]12 ZINC000848407409 633250204 /nfs/dbraw/zinc/25/02/04/633250204.db2.gz NRGAQSFQJPUVDP-QGZVFWFLSA-N 0 1 289.398 2.962 20 30 CFEDMN C#C[C@H]1CCCN(Cn2cc(-c3ccccc3)cn2)C1 ZINC000848493230 633266319 /nfs/dbraw/zinc/26/63/19/633266319.db2.gz KNZNZDGTEXWEPQ-HNNXBMFYSA-N 0 1 265.360 2.853 20 30 CFEDMN C=CCC[C@H](NC[C@H]1CN(C2CC2)C(=O)O1)c1ccco1 ZINC000848569111 633292140 /nfs/dbraw/zinc/29/21/40/633292140.db2.gz CBYXNGOUNZGJTG-KBPBESRZSA-N 0 1 290.363 2.860 20 30 CFEDMN O=C(/C=C\c1cc2n(n1)CCCC2)c1ccc(O)cc1O ZINC000848639792 633306089 /nfs/dbraw/zinc/30/60/89/633306089.db2.gz DPMQTNDLZGIZPT-DAXSKMNVSA-N 0 1 284.315 2.527 20 30 CFEDMN COc1ccc(C(=O)/C=C\c2cc3n(n2)CCCC3)c(O)c1 ZINC000848640623 633306547 /nfs/dbraw/zinc/30/65/47/633306547.db2.gz QIPVPIIEMXRMPF-YVMONPNESA-N 0 1 298.342 2.830 20 30 CFEDMN C#C[C@@H]1CCCN(Cc2cc(OC)cc3c2O[C@H](C)C3)C1 ZINC000848923182 633404692 /nfs/dbraw/zinc/40/46/92/633404692.db2.gz ALWQWVKVEPWRHW-ZIAGYGMSSA-N 0 1 285.387 2.864 20 30 CFEDMN C#C[C@H]1CCCN(Cc2ccnn2-c2ccccc2OC)C1 ZINC000848923594 633405760 /nfs/dbraw/zinc/40/57/60/633405760.db2.gz GTOASSZVTSGQRD-HNNXBMFYSA-N 0 1 295.386 2.726 20 30 CFEDMN Cc1ccc(C(=O)/C=C\c2cc3n(n2)CCC3)c(O)c1 ZINC000849245769 633589022 /nfs/dbraw/zinc/58/90/22/633589022.db2.gz CDDDLSWDOIDLJA-ALCCZGGFSA-N 0 1 268.316 2.739 20 30 CFEDMN O=C(/C=C\c1ccnn1CC1CC1)c1ccc(O)cc1O ZINC000849247070 633590077 /nfs/dbraw/zinc/59/00/77/633590077.db2.gz PFLCKNKAMDQCOM-UTCJRWHESA-N 0 1 284.315 2.600 20 30 CFEDMN C=CCC(C)(C)C(=O)O[C@@H](C)c1n[nH]c(CC)n1 ZINC000849782181 633717024 /nfs/dbraw/zinc/71/70/24/633717024.db2.gz VEQSNLIPVMVGBD-VIFPVBQESA-N 0 1 251.330 2.574 20 30 CFEDMN C=CCCn1cc(CNCC(CC)(CC)SC)nn1 ZINC000850165519 633865382 /nfs/dbraw/zinc/86/53/82/633865382.db2.gz IMJAOEPWQYDWEO-UHFFFAOYSA-N 0 1 282.457 2.866 20 30 CFEDMN C#Cc1cccc(CNCc2ccnn2CCC)c1 ZINC000850320898 633941438 /nfs/dbraw/zinc/94/14/38/633941438.db2.gz HRXMGOWPMILMOP-UHFFFAOYSA-N 0 1 253.349 2.564 20 30 CFEDMN Cc1cc(CNC(C)(C)c2cccc(C#N)c2)n(C)n1 ZINC000850354823 633951873 /nfs/dbraw/zinc/95/18/73/633951873.db2.gz BBWQRDVDCYOHHV-UHFFFAOYSA-N 0 1 268.364 2.625 20 30 CFEDMN Cc1cc(C(C#N)C(=O)CCCc2cccnc2)nc(C)n1 ZINC000850754979 634080658 /nfs/dbraw/zinc/08/06/58/634080658.db2.gz BTXLNCORCGWYOG-OAHLLOKOSA-N 0 1 294.358 2.688 20 30 CFEDMN N#CC(C(=O)NC1CC1)C(=O)[C@H]1CC[C@H](C2CCC2)CC1 ZINC000850760451 634081767 /nfs/dbraw/zinc/08/17/67/634081767.db2.gz ZNSNSHIGKBLVMD-UMVBOHGHSA-N 0 1 288.391 2.580 20 30 CFEDMN C[C@@H](CC(C)(C)C#N)OC(=O)c1ccc(-c2nnc[nH]2)cc1 ZINC000851206745 634271346 /nfs/dbraw/zinc/27/13/46/634271346.db2.gz OXYBZEJQLQHQIA-NSHDSACASA-N 0 1 298.346 2.957 20 30 CFEDMN C#CCOCCSc1nc(C=Cc2ccc(C)o2)n[nH]1 ZINC000853016190 634876803 /nfs/dbraw/zinc/87/68/03/634876803.db2.gz RRSZDQBGNWOZED-VOTSOKGWSA-N 0 1 289.360 2.618 20 30 CFEDMN Cc1cc(=O)nc(NN=C2CCC[C@@H]2Cc2ccccn2)[nH]1 ZINC000853254427 634953303 /nfs/dbraw/zinc/95/33/03/634953303.db2.gz VAIGJURKDRCDKR-GFCCVEGCSA-N 0 1 297.362 2.696 20 30 CFEDMN CC(=NNCCN1CCCCC1)c1ccc(C(F)F)nc1 ZINC000853291898 634960863 /nfs/dbraw/zinc/96/08/63/634960863.db2.gz PXOQMDCFSNTDNU-UHFFFAOYSA-N 0 1 296.365 2.819 20 30 CFEDMN CCOc1ccc(CN=Nc2cnn(C)c2)c(C)c1 ZINC000853339540 634976029 /nfs/dbraw/zinc/97/60/29/634976029.db2.gz SNQCJVHMHAYBLX-UHFFFAOYSA-N 0 1 258.325 2.573 20 30 CFEDMN Cn1ncc(C2CC2)c1C=NNc1ccc(Cl)cn1 ZINC000853435438 634998842 /nfs/dbraw/zinc/99/88/42/634998842.db2.gz OXODVOOBAUGTAJ-UHFFFAOYSA-N 0 1 275.743 2.792 20 30 CFEDMN C=CC[N@H+](Cc1c([O-])ccc2ccncc21)[C@H](C)COC ZINC000853532780 635029734 /nfs/dbraw/zinc/02/97/34/635029734.db2.gz MPJIKQADOVMUDB-CYBMUJFWSA-N 0 1 286.375 2.963 20 30 CFEDMN C=CC[N@@H+](Cc1c([O-])ccc2ccncc21)[C@H](C)COC ZINC000853532780 635029736 /nfs/dbraw/zinc/02/97/36/635029736.db2.gz MPJIKQADOVMUDB-CYBMUJFWSA-N 0 1 286.375 2.963 20 30 CFEDMN C=C1C[C@H]2CC[C@@H](C1)N2CN1CC2(CCCC2)OC1=O ZINC000853598830 635045965 /nfs/dbraw/zinc/04/59/65/635045965.db2.gz XAPSVWLCYZYMER-OKILXGFUSA-N 0 1 276.380 2.892 20 30 CFEDMN C=C1C[C@H]2CC[C@@H](C1)N2CN1C(=O)[C@H](C2CC2)[C@H]1C1CC1 ZINC000853598475 635046361 /nfs/dbraw/zinc/04/63/61/635046361.db2.gz RQSBDPTXJDJWSG-YYIAUSFCSA-N 0 1 286.419 2.774 20 30 CFEDMN C=C1C[C@H]2CC[C@@H](C1)N2CN1C(=O)[C@@H]2CCCCC[C@H]21 ZINC000853598114 635046429 /nfs/dbraw/zinc/04/64/29/635046429.db2.gz LDJWJKFQSRLHEH-QKPAOTATSA-N 0 1 274.408 2.918 20 30 CFEDMN C=C1CCC(C(=O)OCc2nc(C(C)C)n[nH]2)CC1 ZINC000885649672 635162412 /nfs/dbraw/zinc/16/24/12/635162412.db2.gz GGFBRZLLMGQWBE-UHFFFAOYSA-N 0 1 263.341 2.718 20 30 CFEDMN C=C1CCC(C(=O)OCc2n[nH]c(C(C)C)n2)CC1 ZINC000885649672 635162423 /nfs/dbraw/zinc/16/24/23/635162423.db2.gz GGFBRZLLMGQWBE-UHFFFAOYSA-N 0 1 263.341 2.718 20 30 CFEDMN C=C1CCC(C(=O)O[C@@H](C)c2n[nH]c(CC)n2)CC1 ZINC000885649781 635168599 /nfs/dbraw/zinc/16/85/99/635168599.db2.gz JUFYDXODCWXTDE-JTQLQIEISA-N 0 1 263.341 2.718 20 30 CFEDMN C=CCCCN1CC(C)(c2nnc(C3CCOCC3)o2)C1 ZINC000854074984 635206253 /nfs/dbraw/zinc/20/62/53/635206253.db2.gz KANGCZFYBKPJKP-UHFFFAOYSA-N 0 1 291.395 2.503 20 30 CFEDMN C#CCOc1ccc(CNCC(=C)Br)cc1 ZINC000113336133 635553786 /nfs/dbraw/zinc/55/37/86/635553786.db2.gz SVAOVUXXAVHRPI-UHFFFAOYSA-N 0 1 280.165 2.697 20 30 CFEDMN C#CCOc1ccc(CNCc2cccc3c2OCO3)cc1 ZINC000113326273 635554063 /nfs/dbraw/zinc/55/40/63/635554063.db2.gz YCLYUSOFDJQICR-UHFFFAOYSA-N 0 1 295.338 2.717 20 30 CFEDMN C=CCC1(NC(=O)Cc2n[nH]c3c2CCCC3)CCCC1 ZINC000855927819 635691246 /nfs/dbraw/zinc/69/12/46/635691246.db2.gz ARIBOUBBOSBLRL-UHFFFAOYSA-N 0 1 287.407 2.836 20 30 CFEDMN C=CCCONC(=O)[C@@H](C)c1c(F)cccc1F ZINC000856034544 635710173 /nfs/dbraw/zinc/71/01/73/635710173.db2.gz PMUALVDVWLWHJY-VIFPVBQESA-N 0 1 255.264 2.692 20 30 CFEDMN CCOc1cncc(CNCc2ccc(OCC#N)cc2)c1 ZINC000856769133 635852322 /nfs/dbraw/zinc/85/23/22/635852322.db2.gz HVKDDSFTIYFPFR-UHFFFAOYSA-N 0 1 297.358 2.672 20 30 CFEDMN N#Cc1ccc([C@@H](O)CN2CC(Cc3ccsc3)C2)cc1 ZINC000857212291 635947729 /nfs/dbraw/zinc/94/77/29/635947729.db2.gz JKANXRKQNUYYLQ-KRWDZBQOSA-N 0 1 298.411 2.828 20 30 CFEDMN C=CC[C@H]1CCN(Cc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])C1 ZINC000859445793 636566645 /nfs/dbraw/zinc/56/66/45/636566645.db2.gz OVFURVCDCIVGMN-NSHDSACASA-N 0 1 291.307 2.901 20 30 CFEDMN CCCCCCNC(=O)[C@H](C#N)C(=O)[C@H]1CCCC12CC2 ZINC000860463897 636891033 /nfs/dbraw/zinc/89/10/33/636891033.db2.gz JSIPPALXTCNTQK-ZIAGYGMSSA-N 0 1 290.407 2.972 20 30 CFEDMN CCCCCCNC(=O)[C@H](C#N)C(=O)[C@@H]1CCCC12CC2 ZINC000860463895 636891417 /nfs/dbraw/zinc/89/14/17/636891417.db2.gz JSIPPALXTCNTQK-KGLIPLIRSA-N 0 1 290.407 2.972 20 30 CFEDMN CCCCCNC(=O)C(C#N)C(=O)C[C@H](C)C(F)(F)F ZINC000860463959 636891506 /nfs/dbraw/zinc/89/15/06/636891506.db2.gz LARMMZXKBGXHES-VHSXEESVSA-N 0 1 292.301 2.590 20 30 CFEDMN CCCC[C@@H](CC)CC(=O)[C@@H](C#N)C(=O)NC(C)C ZINC000117532465 636895973 /nfs/dbraw/zinc/89/59/73/636895973.db2.gz RCKUHXKPMQPLPZ-CHWSQXEVSA-N 0 1 266.385 2.826 20 30 CFEDMN C[C@@H]1CCCCN1CC(N)=NOCc1ccc(F)c(F)c1 ZINC000117868781 637028746 /nfs/dbraw/zinc/02/87/46/637028746.db2.gz AXMGGTQXJUHBCK-LLVKDONJSA-N 0 1 297.349 2.628 20 30 CFEDMN CC(C)CN(CCC#N)Cc1cccc2n[nH]cc21 ZINC000862212517 637288741 /nfs/dbraw/zinc/28/87/41/637288741.db2.gz JEKVLAJXXCJGBW-UHFFFAOYSA-N 0 1 256.353 2.935 20 30 CFEDMN O=[N+]([O-])c1ccc(N=NC2CN3C[C@@H]2CCC3)c(Cl)c1 ZINC000863089502 637552221 /nfs/dbraw/zinc/55/22/21/637552221.db2.gz WWTBEGZDWDABAV-VIFPVBQESA-N 0 1 294.742 2.742 20 30 CFEDMN CC(=[NH+][N-]c1ccnc(C)c1)c1ccc(N(C)C)cc1 ZINC000863158946 637572641 /nfs/dbraw/zinc/57/26/41/637572641.db2.gz XBACOTRJGWBSHH-UHFFFAOYSA-N 0 1 268.364 2.714 20 30 CFEDMN Cc1cccc(N=NCc2cnn(C(C)(C)C)c2)n1 ZINC000863162144 637575760 /nfs/dbraw/zinc/57/57/60/637575760.db2.gz VKJPMJLXEDOPCP-UHFFFAOYSA-N 0 1 257.341 2.788 20 30 CFEDMN CCCCCCCN[C@@H](C(N)=O)c1ccc(C#N)cc1 ZINC000863375705 637645435 /nfs/dbraw/zinc/64/54/35/637645435.db2.gz AUKZYPZQWUXHOE-OAHLLOKOSA-N 0 1 273.380 2.645 20 30 CFEDMN N#CC(C(=O)C[C@H]1CCCCO1)c1nc2ccccc2[nH]1 ZINC000119839999 637855732 /nfs/dbraw/zinc/85/57/32/637855732.db2.gz CSSOBYGPLRIMKH-NEPJUHHUSA-N 0 1 283.331 2.698 20 30 CFEDMN C=C(C)C[C@@H]([NH2+]Cc1ncc(C(C)(C)C)s1)C(=O)[O-] ZINC000864530007 638013761 /nfs/dbraw/zinc/01/37/61/638013761.db2.gz QMCPENMJYLHLEP-SNVBAGLBSA-N 0 1 282.409 2.950 20 30 CFEDMN C#CCN1CCC(N(C)C(=O)[C@@H](C)c2ccccc2C)CC1 ZINC001006435878 650402184 /nfs/dbraw/zinc/40/21/84/650402184.db2.gz UEUFNSHBTWWAFM-INIZCTEOSA-N 0 1 298.430 2.655 20 30 CFEDMN COc1ccc(C(=O)/C=C/c2cn(C3CC3)cn2)c(O)c1 ZINC000865220549 638226068 /nfs/dbraw/zinc/22/60/68/638226068.db2.gz LXXPMWTZLJPSMX-FARCUNLSSA-N 0 1 284.315 2.828 20 30 CFEDMN C[C@H](C#N)Oc1ccc(CNc2ccc3nn[nH]c3c2)cc1 ZINC000120479550 638249441 /nfs/dbraw/zinc/24/94/41/638249441.db2.gz SKIDJDOLQVPHHO-LLVKDONJSA-N 0 1 293.330 2.861 20 30 CFEDMN C[C@H](C#N)Oc1ccc(CNc2ccc3n[nH]nc3c2)cc1 ZINC000120479550 638249446 /nfs/dbraw/zinc/24/94/46/638249446.db2.gz SKIDJDOLQVPHHO-LLVKDONJSA-N 0 1 293.330 2.861 20 30 CFEDMN CC(C)n1cc(CNc2nc3ccc(C#N)cc3[nH]2)cn1 ZINC000865295667 638262756 /nfs/dbraw/zinc/26/27/56/638262756.db2.gz JPXPEIIHGNIUNC-UHFFFAOYSA-N 0 1 280.335 2.824 20 30 CFEDMN CC[C@@H]([NH2+][C@@H](C)c1cccc(C#N)c1[O-])C(F)F ZINC000866364442 638804911 /nfs/dbraw/zinc/80/49/11/638804911.db2.gz BQGMUPSFVHZHPH-GZMMTYOYSA-N 0 1 254.280 2.958 20 30 CFEDMN C[C@H]([NH2+]Cc1nn(C)cc1Cl)c1cccc(C#N)c1[O-] ZINC000866366919 638805937 /nfs/dbraw/zinc/80/59/37/638805937.db2.gz DBQFKSXKERBEJB-VIFPVBQESA-N 0 1 290.754 2.502 20 30 CFEDMN C[C@H](N(C)C(=O)[C@@H]1NCCc2cc(C#N)ccc21)C(C)(C)C ZINC000867948347 638908163 /nfs/dbraw/zinc/90/81/63/638908163.db2.gz TYKGMRSCHZEELK-BLLLJJGKSA-N 0 1 299.418 2.638 20 30 CFEDMN N#CC[C@H]1CCCN(C(=O)c2c(Cl)[nH]nc2C2CC2)C1 ZINC000869231257 639089864 /nfs/dbraw/zinc/08/98/64/639089864.db2.gz PRCVKVSQSQNNOX-SECBINFHSA-N 0 1 292.770 2.706 20 30 CFEDMN C=CCCC(C)(C)CNC(=O)Cc1n[nH]c2c1CCCC2 ZINC000870284026 639579441 /nfs/dbraw/zinc/57/94/41/639579441.db2.gz SZKOUDBGHDTPCM-UHFFFAOYSA-N 0 1 289.423 2.940 20 30 CFEDMN Cc1ccc(N(CCC#N)C(=O)[C@H](C)N2CCCC2)cc1 ZINC000078605664 650518748 /nfs/dbraw/zinc/51/87/48/650518748.db2.gz DQZOQOIMBJMJDS-HNNXBMFYSA-N 0 1 285.391 2.726 20 30 CFEDMN C[C@@H](CC(=O)Nc1nc2ccc(C#N)cc2[nH]1)C1CC1 ZINC000871070274 641184859 /nfs/dbraw/zinc/18/48/59/641184859.db2.gz ITCSGPJXYNKLMG-VIFPVBQESA-N 0 1 268.320 2.809 20 30 CFEDMN C[C@@H](CC(=O)Nc1nc2ccc(C#N)cc2[nH]1)[C@@H]1CCCO1 ZINC000871072676 641186632 /nfs/dbraw/zinc/18/66/32/641186632.db2.gz NQCNEGGKYKDDAI-HZMBPMFUSA-N 0 1 298.346 2.578 20 30 CFEDMN C=C1CC(C)(C(=O)Nc2nc3ccc(C#N)cc3[nH]2)C1 ZINC000871072280 641187025 /nfs/dbraw/zinc/18/70/25/641187025.db2.gz QCMBZTIOQHSEHK-UHFFFAOYSA-N 0 1 266.304 2.729 20 30 CFEDMN N#Cc1ccc2nc(NC(=O)[C@@H]3C[C@H]3C3CCC3)[nH]c2c1 ZINC000871073268 641188551 /nfs/dbraw/zinc/18/85/51/641188551.db2.gz VSDGITGKOBXPBJ-NWDGAFQWSA-N 0 1 280.331 2.809 20 30 CFEDMN N#CC(C(=O)Nc1ccc(Cl)cc1)C(=O)c1ccco1 ZINC000193390827 650649144 /nfs/dbraw/zinc/64/91/44/650649144.db2.gz IFTYSYNQWXJKEZ-LLVKDONJSA-N 0 1 288.690 2.894 20 30 CFEDMN CCCC(=O)C(C#N)C(=O)Nc1ccc(Cl)cc1 ZINC000193398792 650650881 /nfs/dbraw/zinc/65/08/81/650650881.db2.gz HFTOIFWBANJMQL-NSHDSACASA-N 0 1 264.712 2.787 20 30 CFEDMN C#CCOc1ccc(NC(=O)c2c(O)cccc2F)cc1 ZINC000123703087 641364206 /nfs/dbraw/zinc/36/42/06/641364206.db2.gz VUWCXUHVSXACOA-UHFFFAOYSA-N 0 1 285.274 2.796 20 30 CFEDMN C=CCNC(=O)N1CCC[C@H](c2cc(C(C)C)[nH]n2)C1 ZINC000871624158 641371504 /nfs/dbraw/zinc/37/15/04/641371504.db2.gz SGYSWTPGBGROCB-LBPRGKRZSA-N 0 1 276.384 2.608 20 30 CFEDMN C#C[C@H](CC)N[C@H](CC)C(=O)Nc1ccc(C)cc1 ZINC000871883129 641499079 /nfs/dbraw/zinc/49/90/79/641499079.db2.gz CWCDRQRWQCMUJE-UKRRQHHQSA-N 0 1 258.365 2.714 20 30 CFEDMN N#CCC[C@@H](C#N)CNCc1cccc2ncccc12 ZINC000871936200 641517712 /nfs/dbraw/zinc/51/77/12/641517712.db2.gz ZMYRLKPBCJCIEU-ZDUSSCGKSA-N 0 1 264.332 2.768 20 30 CFEDMN Cc1[nH]n(C[C@@H]2CCCC2(F)F)c(=O)c1CCC#N ZINC000871964247 641535448 /nfs/dbraw/zinc/53/54/48/641535448.db2.gz ZZIGJSYWJHHDNO-QWRGUYRKSA-N 0 1 269.295 2.560 20 30 CFEDMN C=CCCOCCN[C@H](C)c1cccc(O)c1F ZINC000872052429 641585982 /nfs/dbraw/zinc/58/59/82/641585982.db2.gz RVBUNFGLEBOLAD-LLVKDONJSA-N 0 1 253.317 2.775 20 30 CFEDMN COc1ccc(N=NCc2ncc(C)c(OC)c2C)nc1 ZINC000872368399 641774293 /nfs/dbraw/zinc/77/42/93/641774293.db2.gz VFIQRAFTQJOFIA-UHFFFAOYSA-N 0 1 286.335 2.557 20 30 CFEDMN CC(C)c1c(Cl)ncnc1N=NC1CCN(C)[C@@H]1C ZINC000872371173 641776664 /nfs/dbraw/zinc/77/66/64/641776664.db2.gz IESYVIPFSNPWFB-SECBINFHSA-N 0 1 281.791 2.745 20 30 CFEDMN CCNc1ccccc1C=NOC(C)(C)C(=O)OCC ZINC000872381309 641784187 /nfs/dbraw/zinc/78/41/87/641784187.db2.gz ZXSRLAARAADJMT-UHFFFAOYSA-N 0 1 278.352 2.811 20 30 CFEDMN C[C@@H]1C(N=Nc2cc(Cl)nc(Cl)c2)CCN1C ZINC000872382289 641784200 /nfs/dbraw/zinc/78/42/00/641784200.db2.gz NOMBAUVMZHMHNC-SSDOTTSWSA-N 0 1 273.167 2.880 20 30 CFEDMN Cn1nc2c(c1C=NNc1ccc(Cl)cn1)CCCC2 ZINC000872390118 641787779 /nfs/dbraw/zinc/78/77/79/641787779.db2.gz BLIFOILKCBCEGB-UHFFFAOYSA-N 0 1 289.770 2.793 20 30 CFEDMN COc1cccc2c1CCCC2=NN=c1cc(C)[nH]c(N)n1 ZINC000872420856 641805351 /nfs/dbraw/zinc/80/53/51/641805351.db2.gz PFYYGEIFMRSNIV-UHFFFAOYSA-N 0 1 297.362 2.528 20 30 CFEDMN CC(C)c1cc([C@H]2CCCN(c3ccc(C#N)nn3)C2)[nH]n1 ZINC000872649291 641887003 /nfs/dbraw/zinc/88/70/03/641887003.db2.gz WNYAFWDABMTUFY-LBPRGKRZSA-N 0 1 296.378 2.579 20 30 CFEDMN N#Cc1c(F)cccc1CNC[C@@H]1C[C@@H]2CCC[C@H]2O1 ZINC000873155957 642038857 /nfs/dbraw/zinc/03/88/57/642038857.db2.gz QCJHUYGGUKWPAP-DETPVDSQSA-N 0 1 274.339 2.745 20 30 CFEDMN C#C[C@H]1CC[C@H](NC(=O)c2cccc3nc(C)[nH]c32)CC1 ZINC000874861665 642533076 /nfs/dbraw/zinc/53/30/76/642533076.db2.gz JXEUIRIPEUQMJS-JOCQHMNTSA-N 0 1 281.359 2.793 20 30 CFEDMN Cc1cc(F)c(C#N)cc1NC(=O)c1cn[nH]c1C1CC1 ZINC000874901804 642546741 /nfs/dbraw/zinc/54/67/41/642546741.db2.gz XNQRRLRINDSMEE-UHFFFAOYSA-N 0 1 284.294 2.859 20 30 CFEDMN C[C@@H](CCC#N)CN(C)Cc1nc2ccccc2c(=O)[nH]1 ZINC000876531283 642907660 /nfs/dbraw/zinc/90/76/60/642907660.db2.gz BDVWBNWKLZANCR-LBPRGKRZSA-N 0 1 284.363 2.707 20 30 CFEDMN N#Cc1cccc(CN2CCC[C@H]2C[C@H](O)c2ccco2)n1 ZINC000876808886 643017620 /nfs/dbraw/zinc/01/76/20/643017620.db2.gz VOZDGDVZTJTIBX-HOTGVXAUSA-N 0 1 297.358 2.634 20 30 CFEDMN CCCCCCCNC(=O)[C@@H](N)c1cccc(OC)c1 ZINC000876988394 643094485 /nfs/dbraw/zinc/09/44/85/643094485.db2.gz DLSCKGRKBVFBEE-HNNXBMFYSA-N 0 1 278.396 2.782 20 30 CFEDMN C=CC(C)(C)CCCNC(=O)[C@@H](N)c1ccccc1 ZINC000877303807 643227079 /nfs/dbraw/zinc/22/70/79/643227079.db2.gz NCZHNEQJMIETSN-AWEZNQCLSA-N 0 1 260.381 2.795 20 30 CFEDMN CC[C@H](C)[C@@H](CNCc1cc(C#N)cnc1Cl)OC ZINC000877559521 643359701 /nfs/dbraw/zinc/35/97/01/643359701.db2.gz YBFITSFHWHHCNU-GXFFZTMASA-N 0 1 281.787 2.757 20 30 CFEDMN C#CCCCCCCN1CC[S@](=O)C(C)(C)CC1 ZINC000877569863 643367714 /nfs/dbraw/zinc/36/77/14/643367714.db2.gz BVMRYGNHRKPFEZ-SFHVURJKSA-N 0 1 269.454 2.803 20 30 CFEDMN CCCC[C@@](C)(CO)NCc1cc(C#N)cnc1Cl ZINC000877606173 643392979 /nfs/dbraw/zinc/39/29/79/643392979.db2.gz SCANLODIXQWKNB-AWEZNQCLSA-N 0 1 281.787 2.637 20 30 CFEDMN N#Cc1c(F)cccc1CN1CC[C@@H]2CSC[C@H]2C1 ZINC000877741200 643511631 /nfs/dbraw/zinc/51/16/31/643511631.db2.gz XUPCTOVFIKDXGN-CHWSQXEVSA-N 0 1 276.380 2.882 20 30 CFEDMN C#Cc1cccc(NC(=O)CN(C)CCCC2CC2)c1 ZINC000877975213 643674489 /nfs/dbraw/zinc/67/44/89/643674489.db2.gz HHUGEGWGFIIFNO-UHFFFAOYSA-N 0 1 270.376 2.728 20 30 CFEDMN C#Cc1cccc(NC(=O)CN(C)[C@H](C)CC=C)c1 ZINC000877974726 643675241 /nfs/dbraw/zinc/67/52/41/643675241.db2.gz BCTATCIPPSWKCJ-CYBMUJFWSA-N 0 1 256.349 2.503 20 30 CFEDMN COc1ncc(CN2CCC(C#N)CC2)c2ccccc21 ZINC000878015810 643693027 /nfs/dbraw/zinc/69/30/27/643693027.db2.gz DHBYBGPNEQIPES-UHFFFAOYSA-N 0 1 281.359 2.979 20 30 CFEDMN C[C@@H]1CCc2[nH]ncc2[C@@H]1C(=O)Nc1cccc(C#N)c1 ZINC000878026411 643700488 /nfs/dbraw/zinc/70/04/88/643700488.db2.gz WBQZFQBAOUIEJH-MEBBXXQBSA-N 0 1 280.331 2.586 20 30 CFEDMN C#CCCCCC[N@@H+]1CCC[C@@H]1C(=O)NCc1ccco1 ZINC000878101886 643735431 /nfs/dbraw/zinc/73/54/31/643735431.db2.gz MDBKMSJANFDETM-MRXNPFEDSA-N 0 1 288.391 2.554 20 30 CFEDMN C#CCCCCC[N@@H+](CC(N)=O)[C@H](C)c1ccccc1 ZINC000878269366 643816374 /nfs/dbraw/zinc/81/63/74/643816374.db2.gz LRJAZCDKEBSTCE-OAHLLOKOSA-N 0 1 272.392 2.729 20 30 CFEDMN COC(=O)c1cc(CN2CCC(C)(C#N)CC2)ccc1C ZINC000878389446 643868684 /nfs/dbraw/zinc/86/86/84/643868684.db2.gz IIVGREMNTHQXOO-UHFFFAOYSA-N 0 1 286.375 2.907 20 30 CFEDMN CC(C)n1cccc1C(=O)Nc1cc(C#N)ccc1O ZINC000127127742 643906769 /nfs/dbraw/zinc/90/67/69/643906769.db2.gz QSPKFQMMLBYSSD-UHFFFAOYSA-N 0 1 269.304 2.899 20 30 CFEDMN CCOc1ccc(CN2C[C@@H](C)N(CC#N)[C@H](C)C2)cc1 ZINC000878776414 644023370 /nfs/dbraw/zinc/02/33/70/644023370.db2.gz VRJHPLKXOOZSRV-HUUCEWRRSA-N 0 1 287.407 2.503 20 30 CFEDMN C=CC1CCN(C(=O)[C@H]2c3cn[nH]c3CC[C@H]2C)CC1 ZINC000878804608 644033825 /nfs/dbraw/zinc/03/38/25/644033825.db2.gz XFKMWBKOHUEEFV-IAQYHMDHSA-N 0 1 273.380 2.500 20 30 CFEDMN C[C@H](CC#N)NC[C@@H](O)Cc1ccc(C(F)(F)F)cc1 ZINC000878821380 644039098 /nfs/dbraw/zinc/03/90/98/644039098.db2.gz XZVBPXVHLGAWDU-MFKMUULPSA-N 0 1 286.297 2.501 20 30 CFEDMN C=CCCC[C@H](C(=O)N(C)Cc1nnc[nH]1)c1ccccc1 ZINC000878907331 644070264 /nfs/dbraw/zinc/07/02/64/644070264.db2.gz CYLHTHIELAPCRK-HNNXBMFYSA-N 0 1 298.390 2.903 20 30 CFEDMN C=CC[C@@H](C(=O)OC)N1CCC2(CCSCC2)CC1 ZINC000879199879 644172130 /nfs/dbraw/zinc/17/21/30/644172130.db2.gz AWFGEWABBAQCLA-ZDUSSCGKSA-N 0 1 283.437 2.713 20 30 CFEDMN Cc1c(C#N)cccc1NC(=O)[C@H]1c2cn[nH]c2CC[C@@H]1C ZINC000879218774 644179838 /nfs/dbraw/zinc/17/98/38/644179838.db2.gz RKBJHWAHSUZQIQ-MGPLVRAMSA-N 0 1 294.358 2.894 20 30 CFEDMN N#Cc1cc(F)ccc1C[N@@H+]1CC[C@H](O)[C@H]2CCCC[C@@H]21 ZINC000879416672 644262845 /nfs/dbraw/zinc/26/28/45/644262845.db2.gz HTWWDOSGAXMEIZ-ULQDDVLXSA-N 0 1 288.366 2.823 20 30 CFEDMN N#Cc1cc(F)ccc1CN1CC[C@H](O)[C@H]2CCCC[C@@H]21 ZINC000879416672 644262854 /nfs/dbraw/zinc/26/28/54/644262854.db2.gz HTWWDOSGAXMEIZ-ULQDDVLXSA-N 0 1 288.366 2.823 20 30 CFEDMN C=C(Br)CN1CC[C@H](O)[C@@H]2CCCC[C@H]21 ZINC000879417337 644264818 /nfs/dbraw/zinc/26/48/18/644264818.db2.gz XAULSMROOZMLSS-UTUOFQBUSA-N 0 1 274.202 2.520 20 30 CFEDMN N#Cc1ccc(F)cc1CN1CC[C@@H]2CSC[C@H]2C1 ZINC000879559834 644320158 /nfs/dbraw/zinc/32/01/58/644320158.db2.gz PSJGBNMCDVAJKP-TZMCWYRMSA-N 0 1 276.380 2.882 20 30 CFEDMN C=C[C@@H]1CCCCN1C(=O)[C@@H]1c2cn[nH]c2CC[C@H]1C ZINC000879801847 644430422 /nfs/dbraw/zinc/43/04/22/644430422.db2.gz VPOCQOCKXBPIIA-JMSVASOKSA-N 0 1 273.380 2.643 20 30 CFEDMN C=C(C)CN(CC)C(=O)CN1CC[C@@](C)(C(F)(F)F)C1 ZINC000880000912 644490945 /nfs/dbraw/zinc/49/09/45/644490945.db2.gz ZUSDGOSCJBEASI-CYBMUJFWSA-N 0 1 292.345 2.685 20 30 CFEDMN C[C@@H]1CCc2[nH]ncc2[C@H]1C(=O)NCC(C)(C)CCC#N ZINC000880005660 644496488 /nfs/dbraw/zinc/49/64/88/644496488.db2.gz OXYCEHGABDNAFZ-RISCZKNCSA-N 0 1 288.395 2.522 20 30 CFEDMN CC(=O)Nc1ccc2c(c1)CN(CC1(CC#N)CC1)CC2 ZINC000880034551 644509103 /nfs/dbraw/zinc/50/91/03/644509103.db2.gz YTFHIFXFIKURDZ-UHFFFAOYSA-N 0 1 283.375 2.697 20 30 CFEDMN COc1cc2c(cc1OC)[C@H](C)N(CCCC#N)CC2 ZINC000880088630 644527348 /nfs/dbraw/zinc/52/73/48/644527348.db2.gz OVGSTAQDSOOHAW-LBPRGKRZSA-N 0 1 274.364 2.927 20 30 CFEDMN C=CCC(C)(C)CNC(=O)[C@@H]1c2cn[nH]c2CC[C@@H]1C ZINC000880112228 644535387 /nfs/dbraw/zinc/53/53/87/644535387.db2.gz KZBRHNGUKFZSMB-FZMZJTMJSA-N 0 1 275.396 2.794 20 30 CFEDMN CC(C)(O)[C@H]1CCN(CC#Cc2ccccc2Cl)C1 ZINC000880145415 644553150 /nfs/dbraw/zinc/55/31/50/644553150.db2.gz GGGHACIDDQMFHD-AWEZNQCLSA-N 0 1 277.795 2.784 20 30 CFEDMN FC[C@@H]1CCN(CC#Cc2ccc(Cl)cc2)C1 ZINC000880293325 644632454 /nfs/dbraw/zinc/63/24/54/644632454.db2.gz HPWIBQWAXAUZDR-ZDUSSCGKSA-N 0 1 251.732 2.983 20 30 CFEDMN C#CCC1(O)CCN([C@@H](C)c2cccc([N+](=O)[O-])c2)CC1 ZINC000880478120 644730133 /nfs/dbraw/zinc/73/01/33/644730133.db2.gz ULIVBQOMMKHPTE-ZDUSSCGKSA-N 0 1 288.347 2.506 20 30 CFEDMN Cc1ccc(C(=O)N2CCN(C)[C@H](C(C)(C)C)C2)cc1C#N ZINC000880611835 644787969 /nfs/dbraw/zinc/78/79/69/644787969.db2.gz DMIFTVXIPBJOFI-INIZCTEOSA-N 0 1 299.418 2.669 20 30 CFEDMN C=C(C)CN1CC[C@@H]1CN(C)C(=O)c1cc2ccccn2c1 ZINC001085854661 782188976 /nfs/dbraw/zinc/18/89/76/782188976.db2.gz DUDKLBKGGXQADH-QGZVFWFLSA-N 0 1 297.402 2.662 20 30 CFEDMN C=CC(C)(C)CCNC(=O)[C@@H]1c2cn[nH]c2CC[C@H]1C ZINC000880824606 644843769 /nfs/dbraw/zinc/84/37/69/644843769.db2.gz NHJPBTAGTJHRRE-RISCZKNCSA-N 0 1 275.396 2.794 20 30 CFEDMN C=CCCCCCN(C)C(=O)c1nnc2ccccc2c1O ZINC000128718838 644875521 /nfs/dbraw/zinc/87/55/21/644875521.db2.gz JUAJBWAESNZZKP-UHFFFAOYSA-N 0 1 299.374 2.742 20 30 CFEDMN C(#Cc1ccccc1)CNCc1ccc(C2OCCO2)cc1 ZINC000883011686 645560936 /nfs/dbraw/zinc/56/09/36/645560936.db2.gz GDOMYIHAKMXDDR-UHFFFAOYSA-N 0 1 293.366 2.873 20 30 CFEDMN C#Cc1ccc(CNCc2cnc(C3CC3)nc2)cc1 ZINC000883132486 645618632 /nfs/dbraw/zinc/61/86/32/645618632.db2.gz SNPMEVUZUYIINL-UHFFFAOYSA-N 0 1 263.344 2.625 20 30 CFEDMN CC#CC[C@@H](CO)NCc1cc(C(F)(F)F)ccc1F ZINC000883156870 645630573 /nfs/dbraw/zinc/63/05/73/645630573.db2.gz CUDGSRJNHCBRMF-LBPRGKRZSA-N 0 1 289.272 2.708 20 30 CFEDMN CCC[C@@H]1C[N@@H+](CCCOc2ccc(C#N)cc2)CCO1 ZINC000131232350 645665649 /nfs/dbraw/zinc/66/56/49/645665649.db2.gz LNKJFWFNDPOZGF-QGZVFWFLSA-N 0 1 288.391 2.828 20 30 CFEDMN CCC[C@@H]1CN(CCCOc2ccc(C#N)cc2)CCO1 ZINC000131232350 645665653 /nfs/dbraw/zinc/66/56/53/645665653.db2.gz LNKJFWFNDPOZGF-QGZVFWFLSA-N 0 1 288.391 2.828 20 30 CFEDMN C=CCC[C@H](COc1ccccc1)NCc1ccn(C)n1 ZINC000883208921 645665882 /nfs/dbraw/zinc/66/58/82/645665882.db2.gz QPYNXZJSPUKXSQ-MRXNPFEDSA-N 0 1 285.391 2.924 20 30 CFEDMN C=CCC[C@@H](NCc1ccn(CC)n1)[C@H]1CCCO1 ZINC000883228753 645678050 /nfs/dbraw/zinc/67/80/50/645678050.db2.gz SXUWDCDFAWSELJ-HUUCEWRRSA-N 0 1 263.385 2.506 20 30 CFEDMN C=CCC[C@@H](NCc1ncccn1)[C@@H]1Cc2ccccc2O1 ZINC000883235508 645684410 /nfs/dbraw/zinc/68/44/10/645684410.db2.gz FDLYKDDAOFWAAU-WBVHZDCISA-N 0 1 295.386 2.905 20 30 CFEDMN C#CC1(NCc2cc3c(cc[nH]c3=O)o2)CCCC1 ZINC000883361927 645768437 /nfs/dbraw/zinc/76/84/37/645768437.db2.gz PCTFNMVRJNKZNU-UHFFFAOYSA-N 0 1 256.305 2.569 20 30 CFEDMN C#CC1(NCc2cccc(OC)c2OC)CCCC1 ZINC000883362397 645769695 /nfs/dbraw/zinc/76/96/95/645769695.db2.gz CBASLGVECDPAJR-UHFFFAOYSA-N 0 1 259.349 2.739 20 30 CFEDMN C[C@H](C(=O)OCc1ccc(C#N)cc1)N1CCCCCC1 ZINC000132597775 645938324 /nfs/dbraw/zinc/93/83/24/645938324.db2.gz KFUCQDXRDUYAOP-CQSZACIVSA-N 0 1 286.375 2.866 20 30 CFEDMN CC#CCN1CCC(N(C)C(=O)c2cc(C)cc(C)c2)CC1 ZINC001006338098 645994516 /nfs/dbraw/zinc/99/45/16/645994516.db2.gz OYZVCKLFKZGVIA-UHFFFAOYSA-N 0 1 298.430 2.863 20 30 CFEDMN C=C(C)COCCNCc1c(Cl)nc2ccccn21 ZINC000134501224 646352300 /nfs/dbraw/zinc/35/23/00/646352300.db2.gz ZFHORHROBYXSGU-UHFFFAOYSA-N 0 1 279.771 2.670 20 30 CFEDMN CC(=NNc1cnn(C)c1)c1c(C)cc(O)cc1C ZINC000884455525 646367980 /nfs/dbraw/zinc/36/79/80/646367980.db2.gz NDCANFFPADNODB-UHFFFAOYSA-N 0 1 258.325 2.579 20 30 CFEDMN Cc1nc(C2CCN(c3cnccc3C#N)CC2)[nH]c1C ZINC000884705862 646534515 /nfs/dbraw/zinc/53/45/15/646534515.db2.gz JRAXCLUJJKRBRN-UHFFFAOYSA-N 0 1 281.363 2.677 20 30 CFEDMN Cc1nc(C2CCN(c3cccc(C#N)n3)CC2)[nH]c1C ZINC000884707570 646534577 /nfs/dbraw/zinc/53/45/77/646534577.db2.gz QTVZXDDNAKZJMP-UHFFFAOYSA-N 0 1 281.363 2.677 20 30 CFEDMN Cc1nc(C2CCN(c3nc(C)ccc3C#N)CC2)[nH]c1C ZINC000884707001 646534931 /nfs/dbraw/zinc/53/49/31/646534931.db2.gz VLBPQMJYUJXUMB-UHFFFAOYSA-N 0 1 295.390 2.986 20 30 CFEDMN Cc1nc(C2CCN(c3cc(C#N)cc(C)n3)CC2)[nH]c1C ZINC000884705611 646534973 /nfs/dbraw/zinc/53/49/73/646534973.db2.gz BATHWYKDABETAI-UHFFFAOYSA-N 0 1 295.390 2.986 20 30 CFEDMN Cc1nc(C2CCN(c3cc(C#N)ccn3)CC2)[nH]c1C ZINC000884708146 646536060 /nfs/dbraw/zinc/53/60/60/646536060.db2.gz OLPCIGLLRRLNTC-UHFFFAOYSA-N 0 1 281.363 2.677 20 30 CFEDMN C#CCCCCCOC(=O)[C@@H]1c2cn[nH]c2CC[C@@H]1C ZINC000885255641 646648579 /nfs/dbraw/zinc/64/85/79/646648579.db2.gz XKSQUAPZFWUBBQ-WFASDCNBSA-N 0 1 274.364 2.812 20 30 CFEDMN CN(Cc1ccc(F)cc1F)C[C@H](O)CC1(C#N)CCC1 ZINC000885952188 646780576 /nfs/dbraw/zinc/78/05/76/646780576.db2.gz YXYFTHRSNPTXQJ-CQSZACIVSA-N 0 1 294.345 2.841 20 30 CFEDMN C=CCN(Cc1cccc(C#N)c1)C[C@](C)(O)C(F)F ZINC000885967819 646789407 /nfs/dbraw/zinc/78/94/07/646789407.db2.gz ZCJFRKFMNHRUCU-HNNXBMFYSA-N 0 1 280.318 2.562 20 30 CFEDMN CN(Cc1cc(Cl)cn1C)C[C@H](O)CC1(C#N)CCC1 ZINC000886038935 646835421 /nfs/dbraw/zinc/83/54/21/646835421.db2.gz FHAYXZVYGFGMIW-CQSZACIVSA-N 0 1 295.814 2.555 20 30 CFEDMN C#CC[C@H](NCc1[nH]nc(C)c1C)c1ccccc1 ZINC000886049922 646842817 /nfs/dbraw/zinc/84/28/17/646842817.db2.gz YFMMKPFOBVWGBT-HNNXBMFYSA-N 0 1 253.349 2.881 20 30 CFEDMN Cc1n[nH]c(CNCc2ccc(C#N)c(Cl)c2)c1C ZINC000886107504 646875696 /nfs/dbraw/zinc/87/56/96/646875696.db2.gz SSEUBDCLZDCYTM-UHFFFAOYSA-N 0 1 274.755 2.841 20 30 CFEDMN C#Cc1cccc(NS(=O)(=O)c2cccc(C)c2C#N)c1 ZINC000137225732 646888941 /nfs/dbraw/zinc/88/89/41/646888941.db2.gz NVQXBUOBVOJOSY-UHFFFAOYSA-N 0 1 296.351 2.649 20 30 CFEDMN COc1ccc(CNCc2ccc(SC)c(C#N)c2)cn1 ZINC000886277008 646947413 /nfs/dbraw/zinc/94/74/13/646947413.db2.gz CXCQFLVCGRISGT-UHFFFAOYSA-N 0 1 299.399 2.974 20 30 CFEDMN C#CC[C@@H]1CC[N@@H+](Cc2cc(-c3ccco3)on2)C1 ZINC000886354179 646982935 /nfs/dbraw/zinc/98/29/35/646982935.db2.gz XQOPUBWRANRGAN-GFCCVEGCSA-N 0 1 256.305 2.780 20 30 CFEDMN C#CC[C@@H]1CCN(Cc2cc(-c3ccco3)on2)C1 ZINC000886354179 646982937 /nfs/dbraw/zinc/98/29/37/646982937.db2.gz XQOPUBWRANRGAN-GFCCVEGCSA-N 0 1 256.305 2.780 20 30 CFEDMN C#CC[C@H]1CCN(Cc2nnc(-c3ccc(OC)cc3)o2)C1 ZINC000886354276 646983841 /nfs/dbraw/zinc/98/38/41/646983841.db2.gz YZFVDPVVQJYPIR-ZDUSSCGKSA-N 0 1 297.358 2.590 20 30 CFEDMN C#CC[C@H]1CCN(CC(=O)Nc2cccc(C)c2C)C1 ZINC000886356282 646984983 /nfs/dbraw/zinc/98/49/83/646984983.db2.gz XLAJDJXHPHSSTQ-HNNXBMFYSA-N 0 1 270.376 2.587 20 30 CFEDMN C#CC[C@H]1CCN(Cc2ccn(-c3ccc(F)cc3)n2)C1 ZINC000886357509 646985001 /nfs/dbraw/zinc/98/50/01/646985001.db2.gz IEOKVXXKRURJJW-AWEZNQCLSA-N 0 1 283.350 2.857 20 30 CFEDMN C#CC[C@H]1CCN([C@H](C)C(=O)Nc2cc(F)ccc2C)C1 ZINC000886356331 646985442 /nfs/dbraw/zinc/98/54/42/646985442.db2.gz YCHNDBWJSQIVSO-KGLIPLIRSA-N 0 1 288.366 2.806 20 30 CFEDMN C#CC[C@H]1CCN([C@H](C(=O)OC)c2ccccc2C)C1 ZINC000886364133 646988642 /nfs/dbraw/zinc/98/86/42/646988642.db2.gz PLFGEKNSCCHCEX-HOCLYGCPSA-N 0 1 271.360 2.554 20 30 CFEDMN C#CC[C@@H]1CCN([C@@H](C(=O)OC)c2ccccc2C)C1 ZINC000886364131 646988879 /nfs/dbraw/zinc/98/88/79/646988879.db2.gz PLFGEKNSCCHCEX-GDBMZVCRSA-N 0 1 271.360 2.554 20 30 CFEDMN C=CCN1CCN(CC=C)[C@H](Cc2ccc(F)cc2)C1 ZINC000886374854 646993317 /nfs/dbraw/zinc/99/33/17/646993317.db2.gz ORXZRSWVHPOXFB-QGZVFWFLSA-N 0 1 274.383 2.726 20 30 CFEDMN C#CCC1([NH2+]Cc2cc(Cl)ccc2[O-])CCOCC1 ZINC000886381687 646994141 /nfs/dbraw/zinc/99/41/41/646994141.db2.gz NTOYEMRMMUIIDA-UHFFFAOYSA-N 0 1 279.767 2.708 20 30 CFEDMN C=CCC1(O)CCN(Cc2ncc(C)c(OC)c2C)CC1 ZINC000886764146 647130287 /nfs/dbraw/zinc/13/02/87/647130287.db2.gz MJKKNLKGGKOGPA-UHFFFAOYSA-N 0 1 290.407 2.610 20 30 CFEDMN N#Cc1cc(F)ccc1CN1CC[C@@H]([C@@H]2CCCO2)C1 ZINC000886833205 647156371 /nfs/dbraw/zinc/15/63/71/647156371.db2.gz UZJSEOHAUDDUOB-CJNGLKHVSA-N 0 1 274.339 2.698 20 30 CFEDMN C=CCN(CC=C)C(=O)CN[C@@H]1CCc2c1cccc2F ZINC000886924207 647177535 /nfs/dbraw/zinc/17/75/35/647177535.db2.gz PQSLUYBKYXBFGK-MRXNPFEDSA-N 0 1 288.366 2.603 20 30 CFEDMN C#CCC1(NCc2ccc(Cl)cc2C#N)CCOCC1 ZINC000887121950 647218903 /nfs/dbraw/zinc/21/89/03/647218903.db2.gz DLHPBXWSDQDERG-UHFFFAOYSA-N 0 1 288.778 2.874 20 30 CFEDMN C=CCSCCN[C@H]1CCCc2oc(C)nc21 ZINC000925350996 648158496 /nfs/dbraw/zinc/15/84/96/648158496.db2.gz KBARTFXTCOQCGJ-NSHDSACASA-N 0 1 252.383 2.869 20 30 CFEDMN C=CCCCCCCCN[C@H](C)c1cnn(C)n1 ZINC000926446080 648489960 /nfs/dbraw/zinc/48/99/60/648489960.db2.gz YSOYHPGGKRLTHH-CYBMUJFWSA-N 0 1 250.390 2.992 20 30 CFEDMN C=C[C@@H]1OCC[C@H]1N[C@H]1COCc2cccc(Cl)c21 ZINC000926528639 648519206 /nfs/dbraw/zinc/51/92/06/648519206.db2.gz ZRXFDCJCJUTNCM-RDBSUJKOSA-N 0 1 279.767 2.844 20 30 CFEDMN C[C@@H](N[C@@H]1CC[C@H](C#N)C1)c1cn2c(n1)CCCC2 ZINC000926615950 648552116 /nfs/dbraw/zinc/55/21/16/648552116.db2.gz QKGARQUVXVVIGN-FRRDWIJNSA-N 0 1 258.369 2.562 20 30 CFEDMN C[C@@H](NCC1(C#N)CCC1)C1(Br)CC1 ZINC000926623144 648553019 /nfs/dbraw/zinc/55/30/19/648553019.db2.gz BALKEDKANQFEKO-SECBINFHSA-N 0 1 257.175 2.586 20 30 CFEDMN C[C@@H](NC1CCN(c2ccccc2C#N)CC1)c1ncco1 ZINC000926785398 648614946 /nfs/dbraw/zinc/61/49/46/648614946.db2.gz KHIGMWQUHXJXEJ-CYBMUJFWSA-N 0 1 296.374 2.866 20 30 CFEDMN C[C@H](NC1CCN(c2ccccc2C#N)CC1)c1ncco1 ZINC000926785402 648615122 /nfs/dbraw/zinc/61/51/22/648615122.db2.gz KHIGMWQUHXJXEJ-ZDUSSCGKSA-N 0 1 296.374 2.866 20 30 CFEDMN C[C@H](CC(C)(C)C#N)NCc1cc(C2CC2)n(C)n1 ZINC000927108648 648714021 /nfs/dbraw/zinc/71/40/21/648714021.db2.gz SAXRJDMRSNXVDE-LLVKDONJSA-N 0 1 260.385 2.715 20 30 CFEDMN CCN(CC)[C@@H](C(=O)N1CCC[C@@H](C#N)C1)c1ccccc1 ZINC000928224976 648878549 /nfs/dbraw/zinc/87/85/49/648878549.db2.gz VEABJHOWZWKEGB-DOTOQJQBSA-N 0 1 299.418 2.832 20 30 CFEDMN CCN1CCCC[C@@H]1C(=O)Nc1ccc(CCC#N)cc1 ZINC000928405345 648908647 /nfs/dbraw/zinc/90/86/47/648908647.db2.gz ARVUBOMVTRXFBT-MRXNPFEDSA-N 0 1 285.391 2.956 20 30 CFEDMN C#CCN1CCC(NC(=O)c2cccc(C3CCC3)c2)CC1 ZINC000928653146 648939077 /nfs/dbraw/zinc/93/90/77/648939077.db2.gz AUFXBGPXESPHKX-UHFFFAOYSA-N 0 1 296.414 2.782 20 30 CFEDMN Cc1n[nH]c(C(=O)NC(C)(C)Cc2ccc(C#N)cc2)c1C ZINC000928700716 648943513 /nfs/dbraw/zinc/94/35/13/648943513.db2.gz NGGDDGTYMSIOAL-UHFFFAOYSA-N 0 1 296.374 2.649 20 30 CFEDMN C[C@@H]1CN(CCCCC2(C#N)CCC2)C[C@H](C)O1 ZINC000929123725 648984367 /nfs/dbraw/zinc/98/43/67/648984367.db2.gz DNOCRGKGOVVJFE-OKILXGFUSA-N 0 1 250.386 2.960 20 30 CFEDMN C[N@H+](Cc1ccc(C(C)(C)C)cc1)C[C@H](O)CC#N ZINC000929210493 649003747 /nfs/dbraw/zinc/00/37/47/649003747.db2.gz OSLIJYZAVVDROS-OAHLLOKOSA-N 0 1 260.381 2.690 20 30 CFEDMN CN(Cc1ccc(C(C)(C)C)cc1)C[C@H](O)CC#N ZINC000929210493 649003751 /nfs/dbraw/zinc/00/37/51/649003751.db2.gz OSLIJYZAVVDROS-OAHLLOKOSA-N 0 1 260.381 2.690 20 30 CFEDMN C[C@H](C#N)CN(C)C[C@@H]1CN(C(=O)OC(C)(C)C)C[C@H]1C ZINC000929471169 649055167 /nfs/dbraw/zinc/05/51/67/649055167.db2.gz DYEXFMIIVZEHID-MGPQQGTHSA-N 0 1 295.427 2.581 20 30 CFEDMN C[C@@H](C#N)CN(C)C[C@@H]1CC[C@H](NC(=O)OC(C)(C)C)C1 ZINC000929472143 649056346 /nfs/dbraw/zinc/05/63/46/649056346.db2.gz MZICLRPCRDHXGE-MJBXVCDLSA-N 0 1 295.427 2.771 20 30 CFEDMN C#Cc1cccc(NC(=O)N2CCN(C)C[C@@H]2CC(C)C)c1 ZINC000929487002 649059302 /nfs/dbraw/zinc/05/93/02/649059302.db2.gz YJLJEAOZZUYMCJ-KRWDZBQOSA-N 0 1 299.418 2.862 20 30 CFEDMN CN(CCC#N)C[C@@H]1CC[C@H](NC(=O)OC(C)(C)C)C1 ZINC000929808529 649127985 /nfs/dbraw/zinc/12/79/85/649127985.db2.gz HUUNGHSPDLVDFV-OLZOCXBDSA-N 0 1 281.400 2.525 20 30 CFEDMN N#Cc1cc(Cl)cc(CN2CC[C@]3(CCOC3)C2)c1 ZINC000929826972 649132635 /nfs/dbraw/zinc/13/26/35/649132635.db2.gz RGVOSGFWFRBBCI-HNNXBMFYSA-N 0 1 276.767 2.824 20 30 CFEDMN N#CC[C@@H](O)CNC1(c2ccc(Cl)c(Cl)c2)CC1 ZINC000929894634 649146248 /nfs/dbraw/zinc/14/62/48/649146248.db2.gz SXGZPNZMHPJCTL-SNVBAGLBSA-N 0 1 285.174 2.847 20 30 CFEDMN Cc1cc(CN[C@H](C)c2cccc(C#N)c2)c(C)nn1 ZINC000930214145 649208045 /nfs/dbraw/zinc/20/80/45/649208045.db2.gz RVBHFKUAKBALBQ-GFCCVEGCSA-N 0 1 266.348 2.816 20 30 CFEDMN Cc1c(CN(C)Cc2c(C)cc(C#N)cc2C)cnn1C ZINC000930269783 649219755 /nfs/dbraw/zinc/21/97/55/649219755.db2.gz ZDEDHGFTPHGMBM-UHFFFAOYSA-N 0 1 282.391 2.849 20 30 CFEDMN Cc1cc(C#N)cc(C)c1CN1CCCc2c(cnn2C)C1 ZINC000930710799 649312400 /nfs/dbraw/zinc/31/24/00/649312400.db2.gz CIFOEOXQICWRII-UHFFFAOYSA-N 0 1 294.402 2.857 20 30 CFEDMN C[C@H]1[C@@H](CO)CCCN1Cc1cc(Cl)cc(C#N)c1 ZINC000930741199 649318858 /nfs/dbraw/zinc/31/88/58/649318858.db2.gz ZITAUDIZYSCQDZ-SMDDNHRTSA-N 0 1 278.783 2.804 20 30 CFEDMN N#CC[C@@H](O)CN1CC2(CC=CC2)[C@@H]1c1ccccc1 ZINC000930823992 649332659 /nfs/dbraw/zinc/33/26/59/649332659.db2.gz ARSPFUSNZYWGDT-CVEARBPZSA-N 0 1 268.360 2.654 20 30 CFEDMN N#Cc1cc(Cl)cc(CN2CCC(C3(O)CC3)CC2)c1 ZINC000930848067 649334921 /nfs/dbraw/zinc/33/49/21/649334921.db2.gz XPYGJRKEDUTHFX-UHFFFAOYSA-N 0 1 290.794 2.949 20 30 CFEDMN C[C@@H](c1ccc(F)nc1)N(C)C[C@@H](O)c1cccc(C#N)c1 ZINC000930846332 649335113 /nfs/dbraw/zinc/33/51/13/649335113.db2.gz YYQBKLZVPFRLTO-BLLLJJGKSA-N 0 1 299.349 2.819 20 30 CFEDMN C[C@H]1CN(Cc2cc(Cl)cc(C#N)c2)C[C@H](C)C1O ZINC000930994646 649361782 /nfs/dbraw/zinc/36/17/82/649361782.db2.gz AHSILGRYSJIYJS-QWRGUYRKSA-N 0 1 278.783 2.660 20 30 CFEDMN C[C@@]12COC[C@@H]1CN(Cc1cc(Cl)cc(C#N)c1)C2 ZINC000931015698 649365130 /nfs/dbraw/zinc/36/51/30/649365130.db2.gz UEUQIPUKUSBBAA-DZGCQCFKSA-N 0 1 276.767 2.680 20 30 CFEDMN N#CC1CCC(CN2CCO[C@@H](CC(F)(F)F)C2)CC1 ZINC000931072233 649375204 /nfs/dbraw/zinc/37/52/04/649375204.db2.gz HOJVUMJAFIJRCN-BPCQOVAHSA-N 0 1 290.329 2.970 20 30 CFEDMN C#CC1(O)CCN(CCc2c(Cl)cccc2Cl)CC1 ZINC000931149491 649387415 /nfs/dbraw/zinc/38/74/15/649387415.db2.gz KLQUEXYOOZIEBX-UHFFFAOYSA-N 0 1 298.213 2.996 20 30 CFEDMN N#Cc1cncc(CN[C@@H](c2ccccn2)C2CCC2)c1 ZINC000931174522 649391341 /nfs/dbraw/zinc/39/13/41/649391341.db2.gz ZQPIKVRGENUIQJ-QGZVFWFLSA-N 0 1 278.359 2.979 20 30 CFEDMN CO[C@@H](CN1CCC[C@@H](C#N)C1)C1CCCCC1 ZINC000932150961 649551516 /nfs/dbraw/zinc/55/15/16/649551516.db2.gz FPUOFEFAMOQFGT-ZFWWWQNUSA-N 0 1 250.386 2.817 20 30 CFEDMN C#CCN(CC(=O)N(C)Cc1ccc(F)cc1)C(C)(C)C ZINC000932464493 649606222 /nfs/dbraw/zinc/60/62/22/649606222.db2.gz CQHVZGTVMOANHV-UHFFFAOYSA-N 0 1 290.382 2.518 20 30 CFEDMN C=CC1CCN(C(=O)c2cc(F)cc(F)c2O)CC1 ZINC000932505012 649612249 /nfs/dbraw/zinc/61/22/49/649612249.db2.gz XPQKJHWOEFNYKP-UHFFFAOYSA-N 0 1 267.275 2.709 20 30 CFEDMN C#CC(C)(C)NC(=O)c1cccc2nc(C(F)F)[nH]c21 ZINC000932753784 649641055 /nfs/dbraw/zinc/64/10/55/649641055.db2.gz KGVWSPIAAUDLII-UHFFFAOYSA-N 0 1 277.274 2.642 20 30 CFEDMN C=CC1(CC(=O)NCc2cc(C)[nH]n2)CCCCC1 ZINC000932786413 649642534 /nfs/dbraw/zinc/64/25/34/649642534.db2.gz HHDBNBVAXADCON-UHFFFAOYSA-N 0 1 261.369 2.861 20 30 CFEDMN N#Cc1ccccc1CN1CCC(O)(C2CCC2)CC1 ZINC000932818924 649645892 /nfs/dbraw/zinc/64/58/92/649645892.db2.gz KGKGWWLWPOAUNH-UHFFFAOYSA-N 0 1 270.376 2.685 20 30 CFEDMN C=CCCCCCN1CCOC[C@@H]1[C@H]1CC[C@H](COC)O1 ZINC000933202090 649679317 /nfs/dbraw/zinc/67/93/17/649679317.db2.gz RXLBSVNQDJHQSW-BRWVUGGUSA-N 0 1 297.439 2.628 20 30 CFEDMN CC(C)CNC(=O)CN1CCC(c2ccc(C#N)cc2)CC1 ZINC000933614157 649706492 /nfs/dbraw/zinc/70/64/92/649706492.db2.gz KAUYJLMGZHFMSF-UHFFFAOYSA-N 0 1 299.418 2.510 20 30 CFEDMN N#Cc1ccc(C2CCN(C[C@H](O)C(F)(F)F)CC2)cc1 ZINC000933612874 649706772 /nfs/dbraw/zinc/70/67/72/649706772.db2.gz SGUNCRZJZIHHLW-AWEZNQCLSA-N 0 1 298.308 2.661 20 30 CFEDMN N#Cc1ccc([C@H]2CN(CC3CCC3)CCO2)cc1 ZINC000933627037 649707927 /nfs/dbraw/zinc/70/79/27/649707927.db2.gz HMVSHZMWXDGVHG-MRXNPFEDSA-N 0 1 256.349 2.732 20 30 CFEDMN C[C@@H](C1CC1)N1CCO[C@@H](c2ccc(C#N)cc2)C1 ZINC000933631649 649709005 /nfs/dbraw/zinc/70/90/05/649709005.db2.gz KMEVFVSLBGFLEK-BLLLJJGKSA-N 0 1 256.349 2.730 20 30 CFEDMN Cc1cccc(C)c1CN(C)CC(=O)N[C@@](C)(C#N)C1CC1 ZINC000933767135 649719978 /nfs/dbraw/zinc/71/99/78/649719978.db2.gz GPRQJAMRPFBRAS-SFHVURJKSA-N 0 1 299.418 2.544 20 30 CFEDMN Cc1cccc(C)c1CN(C)CC(=O)N[C@](C)(C#N)C1CC1 ZINC000933767134 649720171 /nfs/dbraw/zinc/72/01/71/649720171.db2.gz GPRQJAMRPFBRAS-GOSISDBHSA-N 0 1 299.418 2.544 20 30 CFEDMN CN(Cc1cc(C#N)cs1)Cc1n[nH]c(C(C)(C)C)n1 ZINC000933771369 649720747 /nfs/dbraw/zinc/72/07/47/649720747.db2.gz FVSPAPAUTVEKNN-UHFFFAOYSA-N 0 1 289.408 2.667 20 30 CFEDMN CN(CCC(=O)NC1CCCC1)Cc1cc(C#N)cs1 ZINC000933777249 649720967 /nfs/dbraw/zinc/72/09/67/649720967.db2.gz IOFCXFPSFBYJHL-UHFFFAOYSA-N 0 1 291.420 2.500 20 30 CFEDMN C=CC[C@@H]1CCN1Cc1cc(C(=O)OC)cs1 ZINC000934461315 649788246 /nfs/dbraw/zinc/78/82/46/649788246.db2.gz MDHYIYYGWBCOBX-LLVKDONJSA-N 0 1 251.351 2.685 20 30 CFEDMN C=CC[C@@H]1CCN1[C@@H](C)C(=O)NCc1ccc(C)cc1 ZINC000934471190 649790670 /nfs/dbraw/zinc/79/06/70/649790670.db2.gz IBOLJRCFSIEHEW-GOEBONIOSA-N 0 1 272.392 2.650 20 30 CFEDMN C=CC[C@@H]1CCN1[C@@H](C)C(=O)Nc1cccc(C)c1 ZINC000934473224 649791503 /nfs/dbraw/zinc/79/15/03/649791503.db2.gz UXYNWAQLDYCCDY-DZGCQCFKSA-N 0 1 258.365 2.972 20 30 CFEDMN C[C@]1(C2CC2)COCCN1Cc1ccc(OCC#N)cc1 ZINC000934481285 649793326 /nfs/dbraw/zinc/79/33/26/649793326.db2.gz GMZQDBDCONBCNB-QGZVFWFLSA-N 0 1 286.375 2.590 20 30 CFEDMN C=CCCCN(CC)Cc1noc2c1COCC2 ZINC000934643508 649810995 /nfs/dbraw/zinc/81/09/95/649810995.db2.gz UNYKRFDSQCHHFR-UHFFFAOYSA-N 0 1 250.342 2.535 20 30 CFEDMN Cc1ccc(C)c(C2CCN(CC(=O)NCCC#N)CC2)c1 ZINC000934800172 649832821 /nfs/dbraw/zinc/83/28/21/649832821.db2.gz XQXSCPXMFJYNKF-UHFFFAOYSA-N 0 1 299.418 2.513 20 30 CFEDMN Cc1ccc(C=Nn2c(=S)[nH]nc2-c2ccco2)o1 ZINC000254840975 651096705 /nfs/dbraw/zinc/09/67/05/651096705.db2.gz RANHPQOHQCZVTN-UHFFFAOYSA-N 0 1 274.305 2.984 20 30 CFEDMN C=CCN1CCC[C@@H](NC(=O)[C@@H]2CCCC3(CC3)C2)C1 ZINC001007330086 651133195 /nfs/dbraw/zinc/13/31/95/651133195.db2.gz XFEHQSRZHMUHKE-HUUCEWRRSA-N 0 1 276.424 2.723 20 30 CFEDMN C=CCN1CCC[C@@H](NC(=O)C[C@@H]2CCC(F)(F)C2)C1 ZINC001007461001 651135963 /nfs/dbraw/zinc/13/59/63/651135963.db2.gz VWGVHTAIHGXLHG-QWHCGFSZSA-N 0 1 286.366 2.579 20 30 CFEDMN C=CCN1CCC[C@H](NC(=O)c2ccc3nc(C)oc3c2)C1 ZINC001007533323 651136789 /nfs/dbraw/zinc/13/67/89/651136789.db2.gz YVFCMVRZMVNECF-AWEZNQCLSA-N 0 1 299.374 2.516 20 30 CFEDMN C=C(C)CN1CCC[C@H](NC(=O)[C@H](C)C2CCC2)C1 ZINC001007595559 651137099 /nfs/dbraw/zinc/13/70/99/651137099.db2.gz LEKQGUBFAAIGPD-HIFRSBDPSA-N 0 1 264.413 2.579 20 30 CFEDMN C=C(C)CN1CCC[C@@H](NC(=O)[C@@H]2CCCC2(C)C)C1 ZINC001008226029 651145214 /nfs/dbraw/zinc/14/52/14/651145214.db2.gz QFWUODSGDNOLTE-CABCVRRESA-N 0 1 278.440 2.969 20 30 CFEDMN C=C(C)CN1CCC[C@@H](NC(=O)c2ccn(CC)c2C)C1 ZINC001008271403 651145701 /nfs/dbraw/zinc/14/57/01/651145701.db2.gz VTVKUEWLWPTOTB-OAHLLOKOSA-N 0 1 289.423 2.587 20 30 CFEDMN C=C(C)CN1CCC[C@@H](NC(=O)c2ccc3cc[nH]c3c2)C1 ZINC001008677032 651152095 /nfs/dbraw/zinc/15/20/95/651152095.db2.gz GPIBURFAXMVCJN-MRXNPFEDSA-N 0 1 297.402 2.938 20 30 CFEDMN C=C(C)CN1CCC[C@H](NC(=O)c2csc(Cl)n2)C1 ZINC001009092449 651155787 /nfs/dbraw/zinc/15/57/87/651155787.db2.gz AFGJYXRFGPTKDI-JTQLQIEISA-N 0 1 299.827 2.567 20 30 CFEDMN C=C(C)CN1CCC[C@@H](NC(=O)c2csc(Cl)n2)C1 ZINC001009092461 651155948 /nfs/dbraw/zinc/15/59/48/651155948.db2.gz AFGJYXRFGPTKDI-SNVBAGLBSA-N 0 1 299.827 2.567 20 30 CFEDMN C=C(C)CN1CCC[C@H](NC(=O)[C@@H]2C[C@H]2c2ccccc2)C1 ZINC001009242932 651158129 /nfs/dbraw/zinc/15/81/29/651158129.db2.gz GHZRGQGVOJERRE-OKZBNKHCSA-N 0 1 298.430 2.947 20 30 CFEDMN C=CCN1CCC[C@H](NC(=O)[C@H](C)c2ccc(C)cc2)C1 ZINC001009259986 651158145 /nfs/dbraw/zinc/15/81/45/651158145.db2.gz LUFUGEVIRLYMHG-WBVHZDCISA-N 0 1 286.419 2.865 20 30 CFEDMN C=C(C)CN1CCC[C@@H](NC(=O)c2c(F)cccc2F)C1 ZINC001009326494 651159351 /nfs/dbraw/zinc/15/93/51/651159351.db2.gz USJUUHDVCDPWMZ-GFCCVEGCSA-N 0 1 294.345 2.735 20 30 CFEDMN C=C(C)CN1CCC[C@@H](NC(=O)c2ccc(F)cc2F)C1 ZINC001009396646 651160340 /nfs/dbraw/zinc/16/03/40/651160340.db2.gz YMFXEOWMXYZSGQ-CYBMUJFWSA-N 0 1 294.345 2.735 20 30 CFEDMN C=CCN1CCC[C@@H](NC(=O)c2cc3ccccc3[nH]2)C1 ZINC001009448870 651161267 /nfs/dbraw/zinc/16/12/67/651161267.db2.gz OAFCVPKEROVZSR-CQSZACIVSA-N 0 1 283.375 2.548 20 30 CFEDMN C=CCN1CCC[C@@H](NC(=O)c2cncc3ccccc32)C1 ZINC001009601938 651162798 /nfs/dbraw/zinc/16/27/98/651162798.db2.gz ITILKSUTDADUJW-OAHLLOKOSA-N 0 1 295.386 2.615 20 30 CFEDMN C=CCN1CCC[C@H](NC(=O)[C@H]2CCCC(C)(C)C2)C1 ZINC001009670750 651163293 /nfs/dbraw/zinc/16/32/93/651163293.db2.gz ZTAKMJJNCPJBDE-GJZGRUSLSA-N 0 1 278.440 2.969 20 30 CFEDMN C=C(C)CN1CCC[C@@H](NC(=O)c2ccc(CF)cc2)C1 ZINC001009671732 651163602 /nfs/dbraw/zinc/16/36/02/651163602.db2.gz JKIAOUCMCGOMMG-MRXNPFEDSA-N 0 1 290.382 2.926 20 30 CFEDMN C=CCN1CCC[C@H](NC(=O)C2(C)C(C)(C)C2(C)C)C1 ZINC001009749475 651164107 /nfs/dbraw/zinc/16/41/07/651164107.db2.gz LVZBTPYHVIHFAO-ZDUSSCGKSA-N 0 1 278.440 2.825 20 30 CFEDMN C=CCN1CC[C@H](NC(=O)C[C@@H]2C[C@H]2c2ccccc2)C1 ZINC001014471910 651186280 /nfs/dbraw/zinc/18/62/80/651186280.db2.gz XIWFLFOWPNCQPC-ULQDDVLXSA-N 0 1 284.403 2.557 20 30 CFEDMN C=CCN1CC[C@@H](NC(=O)c2ccccc2C(C)C)C1 ZINC001014648095 651190515 /nfs/dbraw/zinc/19/05/15/651190515.db2.gz NNLNEZFNFBXPAQ-CQSZACIVSA-N 0 1 272.392 2.800 20 30 CFEDMN C=CCN1CC[C@H](NC(=O)c2coc3c2cccc3C)C1 ZINC001014737517 651191247 /nfs/dbraw/zinc/19/12/47/651191247.db2.gz RFEJXXYDPDWGIX-ZDUSSCGKSA-N 0 1 284.359 2.731 20 30 CFEDMN C=CCN1CC[C@H](NC(=O)C(C)(C)C2CCCC2)C1 ZINC001014749629 651191339 /nfs/dbraw/zinc/19/13/39/651191339.db2.gz MWGJKLMPUPSMJY-AWEZNQCLSA-N 0 1 264.413 2.579 20 30 CFEDMN C=C(C)CN1CC[C@H](NC(=O)c2c(C)oc(C)c2C)C1 ZINC001015176013 651197214 /nfs/dbraw/zinc/19/72/14/651197214.db2.gz KIZKBZRFENSHDH-AWEZNQCLSA-N 0 1 276.380 2.585 20 30 CFEDMN C=C(C)CN1CC[C@H](NC(=O)c2cc(Cl)ccc2F)C1 ZINC001015181760 651197390 /nfs/dbraw/zinc/19/73/90/651197390.db2.gz YWKXBDMTJYGHSN-LBPRGKRZSA-N 0 1 296.773 2.859 20 30 CFEDMN C=C(C)CN1CC[C@H](NC(=O)c2nccc3ccccc32)C1 ZINC001015627975 651206442 /nfs/dbraw/zinc/20/64/42/651206442.db2.gz BQBOPXDGGBNGBR-HNNXBMFYSA-N 0 1 295.386 2.615 20 30 CFEDMN C=CCN1CC[C@@H](NC(=O)C(C2CCC2)C2CCC2)C1 ZINC001015618963 651206720 /nfs/dbraw/zinc/20/67/20/651206720.db2.gz DGMQVVKUUWKGBK-OAHLLOKOSA-N 0 1 276.424 2.579 20 30 CFEDMN C=C(C)CN1CC[C@H](NC(=O)c2c(F)ccc(C)c2F)C1 ZINC001015656642 651208038 /nfs/dbraw/zinc/20/80/38/651208038.db2.gz QGRBDDZLNAIQJB-LBPRGKRZSA-N 0 1 294.345 2.653 20 30 CFEDMN C=CCN1CC[C@@H](NC(=O)c2ccc(C(C)C)nc2C)C1 ZINC001015717459 651209724 /nfs/dbraw/zinc/20/97/24/651209724.db2.gz UTEHBFSRDUDIIF-CQSZACIVSA-N 0 1 287.407 2.504 20 30 CFEDMN C=CCN1CC[C@@H](NC(=O)c2ccc3c(c2)C=CCC3)C1 ZINC001015829768 651215947 /nfs/dbraw/zinc/21/59/47/651215947.db2.gz GZPDXRPSXBZSRR-QGZVFWFLSA-N 0 1 282.387 2.636 20 30 CFEDMN C=CCN1CC[C@@H](NC(=O)c2cccc(-c3ccoc3)c2)C1 ZINC001015961049 651218360 /nfs/dbraw/zinc/21/83/60/651218360.db2.gz CDVOBGXZWXMKBG-QGZVFWFLSA-N 0 1 296.370 2.937 20 30 CFEDMN C=C(C)CN1CC[C@H](NC(=O)c2cc(C)c(CC)o2)C1 ZINC001015985325 651219212 /nfs/dbraw/zinc/21/92/12/651219212.db2.gz UWGOVBQKEWBDOJ-ZDUSSCGKSA-N 0 1 276.380 2.531 20 30 CFEDMN C=CCN1CC[C@H](NC(=O)C[C@@H]2CCCC(C)(C)C2)C1 ZINC001015995580 651220480 /nfs/dbraw/zinc/22/04/80/651220480.db2.gz WQKBEXZGMQHMEA-GJZGRUSLSA-N 0 1 278.440 2.969 20 30 CFEDMN C=CCN1CC[C@@H](NC(=O)C(C)(C)c2ccc(C)cc2)C1 ZINC001016020431 651221423 /nfs/dbraw/zinc/22/14/23/651221423.db2.gz TZWDACGCFRHLSG-MRXNPFEDSA-N 0 1 286.419 2.649 20 30 CFEDMN C=C(C)CN1CC[C@H](NC(=O)c2cccc(Cl)c2)C1 ZINC001016068168 651222965 /nfs/dbraw/zinc/22/29/65/651222965.db2.gz IYNGLYIGFNWQMQ-AWEZNQCLSA-N 0 1 278.783 2.720 20 30 CFEDMN C=CCN1CC[C@@H](NC(=O)c2c(C)csc2Cl)C1 ZINC001016109155 651225315 /nfs/dbraw/zinc/22/53/15/651225315.db2.gz AEPKUZGKAZDTHG-SNVBAGLBSA-N 0 1 284.812 2.700 20 30 CFEDMN C=CCN1CC[C@H](NC(=O)Cc2coc3cc(C)ccc23)C1 ZINC001016182218 651227117 /nfs/dbraw/zinc/22/71/17/651227117.db2.gz NPRWYSNMKCZTGS-HNNXBMFYSA-N 0 1 298.386 2.660 20 30 CFEDMN C=CCN1CC[C@H](NC(=O)c2c(C)cc(C)cc2C)C1 ZINC001016185213 651227357 /nfs/dbraw/zinc/22/73/57/651227357.db2.gz BQRNHIYCALDLGI-HNNXBMFYSA-N 0 1 272.392 2.602 20 30 CFEDMN C=C(C)CN1CC[C@@H](NC(=O)C(C)(C)c2ccccc2)C1 ZINC001016204212 651227971 /nfs/dbraw/zinc/22/79/71/651227971.db2.gz AMAIJUZJQKJRRC-MRXNPFEDSA-N 0 1 286.419 2.731 20 30 CFEDMN C=CCN1CC[C@H](NC(=O)c2ccccc2CC(C)C)C1 ZINC001016374383 651232382 /nfs/dbraw/zinc/23/23/82/651232382.db2.gz IAEYKSCZKDSODU-INIZCTEOSA-N 0 1 286.419 2.875 20 30 CFEDMN C=C(C)CN1C[C@H]2CC[C@@H](C1)N2C(=O)CC(C)(C)C ZINC001017357843 651250866 /nfs/dbraw/zinc/25/08/66/651250866.db2.gz PTFXDXWWCSUQSC-OKILXGFUSA-N 0 1 264.413 2.674 20 30 CFEDMN C=C(C)CN1C[C@H]2CC[C@@H](C1)N2C(=O)C[C@@H]1C[C@H]1C1CC1 ZINC001017747260 651256656 /nfs/dbraw/zinc/25/66/56/651256656.db2.gz ACCGHXRNGJIPEU-NXOAAHMSSA-N 0 1 288.435 2.674 20 30 CFEDMN C=CCCN1C[C@H]2CC[C@@H](C1)N2C(=O)c1cc(C)c(C)cn1 ZINC001017757123 651257424 /nfs/dbraw/zinc/25/74/24/651257424.db2.gz UYYLGOUBIPJAJY-IYBDPMFKSA-N 0 1 299.418 2.563 20 30 CFEDMN C=CCCN1C[C@H]2CC[C@@H](C1)N2C(=O)c1csc(C)c1 ZINC001018066910 651264716 /nfs/dbraw/zinc/26/47/16/651264716.db2.gz NYOHLGFORSAYEV-GASCZTMLSA-N 0 1 290.432 2.921 20 30 CFEDMN COc1ccccc1NC(=O)C(C#N)C(=O)CCC1CC1 ZINC000115904684 651277431 /nfs/dbraw/zinc/27/74/31/651277431.db2.gz LGBBBWUUSCRFPA-GFCCVEGCSA-N 0 1 286.331 2.533 20 30 CFEDMN CCCCCCNC(=O)C(C#N)C(=O)CCC1CC1 ZINC000115902549 651277723 /nfs/dbraw/zinc/27/77/23/651277723.db2.gz JATIABMLQCMNKC-ZDUSSCGKSA-N 0 1 264.369 2.582 20 30 CFEDMN C=C(Cl)CN[C@H]1CCN(C(=O)[C@H](C)c2cccs2)C1 ZINC001019371574 651284254 /nfs/dbraw/zinc/28/42/54/651284254.db2.gz JBXQFBHLTRDQKK-NEPJUHHUSA-N 0 1 298.839 2.795 20 30 CFEDMN C=C(Cl)CN[C@H]1CCN(C(=O)c2cc(C)cc(F)c2)C1 ZINC001019419538 651284502 /nfs/dbraw/zinc/28/45/02/651284502.db2.gz GMGBGJSISKOEBM-AWEZNQCLSA-N 0 1 296.773 2.691 20 30 CFEDMN C=C(Cl)CN[C@H]1CCN(C(=O)C[C@H](C)c2ccco2)C1 ZINC001019666208 651288980 /nfs/dbraw/zinc/28/89/80/651288980.db2.gz BBZIRUSFBMIIOU-AAEUAGOBSA-N 0 1 296.798 2.716 20 30 CFEDMN C=C(Cl)CN[C@H]1CCN(C(=O)C(C)(C)C(C)(F)F)C1 ZINC001019710884 651289977 /nfs/dbraw/zinc/28/99/77/651289977.db2.gz ZQHXSSSOCBCKNH-JTQLQIEISA-N 0 1 294.773 2.611 20 30 CFEDMN C=C(Cl)CN[C@H]1CCN(C(=O)Cc2ccc(C)s2)C1 ZINC001019809620 651291906 /nfs/dbraw/zinc/29/19/06/651291906.db2.gz LWOOZLLCSYHNOM-LBPRGKRZSA-N 0 1 298.839 2.542 20 30 CFEDMN C=C(C)CN1CC[C@@H]1CN(C)C(=O)c1c[nH]cc1C1CC1 ZINC001085900748 782197096 /nfs/dbraw/zinc/19/70/96/782197096.db2.gz OLPRJHGQYHNJGH-CQSZACIVSA-N 0 1 287.407 2.615 20 30 CFEDMN C#CCCN1CC[C@H]1CN(C)C(=O)c1cccc(Cl)c1 ZINC001085940386 782210358 /nfs/dbraw/zinc/21/03/58/782210358.db2.gz FZKVRJHLCIUPGR-HNNXBMFYSA-N 0 1 290.794 2.510 20 30 CFEDMN C=C(C)CN1CC[C@@H]1CN(C)C(=O)[C@@H]1CC2CCC1CC2 ZINC001085989242 782227225 /nfs/dbraw/zinc/22/72/25/782227225.db2.gz MBZLHZPJDQBHNF-BHUNQDJPSA-N 0 1 290.451 2.922 20 30 CFEDMN N#Cc1cc(-c2c(F)cc(O)cc2F)nc(C2CC2)n1 ZINC001241119854 782252541 /nfs/dbraw/zinc/25/25/41/782252541.db2.gz UCVJEADTYASDBO-UHFFFAOYSA-N 0 1 273.242 2.876 20 30 CFEDMN COc1ncc(-c2c(F)ccc(O)c2F)cc1C#N ZINC001241293439 782281375 /nfs/dbraw/zinc/28/13/75/782281375.db2.gz XKSCZFGFADPBCP-UHFFFAOYSA-N 0 1 262.215 2.613 20 30 CFEDMN C[N@@H+]1CC=C(c2ncc3c(c2C#N)CCCC3)CC1 ZINC001241316814 782289264 /nfs/dbraw/zinc/28/92/64/782289264.db2.gz DSCMMZFYBXTVFD-UHFFFAOYSA-N 0 1 253.349 2.551 20 30 CFEDMN CN1CC=C(c2ncc3c(c2C#N)CCCC3)CC1 ZINC001241316814 782289271 /nfs/dbraw/zinc/28/92/71/782289271.db2.gz DSCMMZFYBXTVFD-UHFFFAOYSA-N 0 1 253.349 2.551 20 30 CFEDMN Cc1cc(N)ncc1Nc1nc(Cl)ccc1C#N ZINC001209965100 770175232 /nfs/dbraw/zinc/17/52/32/770175232.db2.gz LPPZTPIDTDENOC-UHFFFAOYSA-N 0 1 259.700 2.636 20 30 CFEDMN C#CCN1CCC[C@H]1CNC(=O)C(C)(C)CC(C)(C)C ZINC001266495178 770206028 /nfs/dbraw/zinc/20/60/28/770206028.db2.gz IKYPESXIZAYRPJ-AWEZNQCLSA-N 0 1 278.440 2.663 20 30 CFEDMN C#CCCN1C[C@H]2CC[C@@H](C1)N2C(=O)[C@H](CC)CCC ZINC001266496793 770209524 /nfs/dbraw/zinc/20/95/24/770209524.db2.gz ZEOZJQZLYRYMIQ-OAGGEKHMSA-N 0 1 276.424 2.511 20 30 CFEDMN Cn1cncc1Nc1c(F)cc(C#N)cc1Cl ZINC001211251621 770466892 /nfs/dbraw/zinc/46/68/92/770466892.db2.gz LAANOUUNLQFZOO-UHFFFAOYSA-N 0 1 250.664 2.828 20 30 CFEDMN C=C(C)C[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)[C@@H](C)CC ZINC001039335685 770504147 /nfs/dbraw/zinc/50/41/47/770504147.db2.gz JKZLQPYCPYAOFD-ZNMIVQPWSA-N 0 1 264.413 2.674 20 30 CFEDMN C=C(C)CN1CCC[C@@H]1CNC(=O)c1cc(C)c(CC)o1 ZINC001028257358 776762270 /nfs/dbraw/zinc/76/22/70/776762270.db2.gz XWGDTAUYPXIEFF-CQSZACIVSA-N 0 1 290.407 2.921 20 30 CFEDMN C=C(C)CN1CC[C@@H](N(CC)C(=O)c2occc2CC)C1 ZINC001033946735 780834630 /nfs/dbraw/zinc/83/46/30/780834630.db2.gz WRELWTLIIHCYMW-OAHLLOKOSA-N 0 1 290.407 2.955 20 30 CFEDMN COc1ncc(-c2cc(/C=N/O)ccc2F)s1 ZINC001241414728 780859331 /nfs/dbraw/zinc/85/93/31/780859331.db2.gz GOSZNDRVLREJPJ-LHHJGKSTSA-N 0 1 252.270 2.766 20 30 CFEDMN C=C(C)C(C)(C)C(=O)N[C@H]1CCN(CCC(F)(F)F)C1 ZINC001266333441 769976196 /nfs/dbraw/zinc/97/61/96/769976196.db2.gz NCRDRYAIYUSWGI-NSHDSACASA-N 0 1 292.345 2.732 20 30 CFEDMN CC#CCN(C)CCNC(=O)[C@@H](CCC)CC(C)C ZINC001266364751 770032744 /nfs/dbraw/zinc/03/27/44/770032744.db2.gz ADDOUJJBEDURCK-HNNXBMFYSA-N 0 1 266.429 2.520 20 30 CFEDMN C=CCCCCC[NH+]1CCC([N-]C(=O)C(F)(F)F)CC1 ZINC001209429015 770081787 /nfs/dbraw/zinc/08/17/87/770081787.db2.gz RNMAHCYNWGZRKS-UHFFFAOYSA-N 0 1 292.345 2.876 20 30 CFEDMN C=CCCCCCCN1CCC(C#N)(C(=O)OC)CC1 ZINC001209438303 770089105 /nfs/dbraw/zinc/08/91/05/770089105.db2.gz IYHFGWRUMXEKQC-UHFFFAOYSA-N 0 1 278.396 2.902 20 30 CFEDMN C=CCCCCCCN1CC(N2C[C@@H](C)O[C@@H](C)C2)C1 ZINC001209438316 770091517 /nfs/dbraw/zinc/09/15/17/770091517.db2.gz JIVHBQLZPIEKAZ-IYBDPMFKSA-N 0 1 280.456 2.916 20 30 CFEDMN C=CCCCCCCCN1CCOC[C@@H]1CC(=O)OC ZINC001209442023 770093278 /nfs/dbraw/zinc/09/32/78/770093278.db2.gz NQYCWQQEDXXTQE-HNNXBMFYSA-N 0 1 283.412 2.777 20 30 CFEDMN CC#CCN(CC)CCNC(=O)[C@]1(C)CCC(C)=C(C)C1 ZINC001266440202 770158728 /nfs/dbraw/zinc/15/87/28/770158728.db2.gz KMWAUJMCTRMLBD-GOSISDBHSA-N 0 1 290.451 2.974 20 30 CFEDMN N#Cc1ccccc1CN1CC[C@@H](OCCCCF)C1 ZINC001209988762 770185596 /nfs/dbraw/zinc/18/55/96/770185596.db2.gz XZFBFBIZLFERQH-MRXNPFEDSA-N 0 1 276.355 2.899 20 30 CFEDMN Cc1cc(Nc2cc(C#N)c(F)cc2O)cnc1C#N ZINC001210206735 770235783 /nfs/dbraw/zinc/23/57/83/770235783.db2.gz ARZVJPLIZFGNCI-UHFFFAOYSA-N 0 1 268.251 2.722 20 30 CFEDMN CC#CCN(CCNC(=O)C[C@H]1CCCC[C@H]1C)C1CC1 ZINC001266621570 770451569 /nfs/dbraw/zinc/45/15/69/770451569.db2.gz GJXYZNVRIOOZNB-HZPDHXFCSA-N 0 1 290.451 2.807 20 30 CFEDMN CC#CCN(CCNC(=O)C[C@H]1CCCC[C@@H]1C)C1CC1 ZINC001266621571 770451839 /nfs/dbraw/zinc/45/18/39/770451839.db2.gz GJXYZNVRIOOZNB-JKSUJKDBSA-N 0 1 290.451 2.807 20 30 CFEDMN CC#CCN(CCNC(=O)C[C@@H]1CCCC[C@@H]1C)C1CC1 ZINC001266621569 770451928 /nfs/dbraw/zinc/45/19/28/770451928.db2.gz GJXYZNVRIOOZNB-HOTGVXAUSA-N 0 1 290.451 2.807 20 30 CFEDMN C=CC(C)(C)CC(=O)N1CCC[C@H]2CN(CCF)CC[C@H]21 ZINC001266658466 770490375 /nfs/dbraw/zinc/49/03/75/770490375.db2.gz DJABAKCIOVDIGJ-LSDHHAIUSA-N 0 1 296.430 2.871 20 30 CFEDMN N#Cc1ccc(CC2CCN(Cc3ccncn3)CC2)cc1 ZINC001140347841 770536782 /nfs/dbraw/zinc/53/67/82/770536782.db2.gz YCUDOALXHMIHAE-UHFFFAOYSA-N 0 1 292.386 2.803 20 30 CFEDMN C=C(Cl)CNCCN(C)C(=O)[C@H]1CCCC[C@@H]1C ZINC001266819233 770643887 /nfs/dbraw/zinc/64/38/87/770643887.db2.gz CIAVSHWKIZQSSU-AAEUAGOBSA-N 0 1 272.820 2.613 20 30 CFEDMN C=C(Cl)CNCCN(C)C(=O)[C@H]1CCC[C@H](C)C1 ZINC001266820323 770644761 /nfs/dbraw/zinc/64/47/61/770644761.db2.gz UXDIMXDNXOZSLR-AAEUAGOBSA-N 0 1 272.820 2.613 20 30 CFEDMN CC#CCN1CCCC[C@H]1CNC(=O)CCC1(C)CC1 ZINC001266857254 770684876 /nfs/dbraw/zinc/68/48/76/770684876.db2.gz KWZVIDLPDCRDFT-HNNXBMFYSA-N 0 1 276.424 2.561 20 30 CFEDMN C#CCN1CCCC[C@@H]1CNC(=O)[C@@H](CC)CC(C)C ZINC001266857707 770685896 /nfs/dbraw/zinc/68/58/96/770685896.db2.gz OLWZCZJDOVLEKA-JKSUJKDBSA-N 0 1 278.440 2.663 20 30 CFEDMN C=C(C)CCN1CC[C@H]1CNC(=O)c1sccc1F ZINC001038225362 770719505 /nfs/dbraw/zinc/71/95/05/770719505.db2.gz NONUEFOEKVBLNK-NSHDSACASA-N 0 1 282.384 2.658 20 30 CFEDMN C[C@@H](CNC(=O)CCCC1CC1)NCC#Cc1ccccc1 ZINC001266964140 770773177 /nfs/dbraw/zinc/77/31/77/770773177.db2.gz LBHTZKDDIOWOIZ-INIZCTEOSA-N 0 1 298.430 2.713 20 30 CFEDMN C=C[C@H](CC)CC(=O)NC[C@@H](C)NCC#Cc1ccccc1 ZINC001266964922 770774263 /nfs/dbraw/zinc/77/42/63/770774263.db2.gz SBNAAGPVQIENJY-IAGOWNOFSA-N 0 1 298.430 2.735 20 30 CFEDMN N#CCS(=O)(=O)Nc1cc(Cl)c(Cl)c(Cl)c1 ZINC000404214004 773206577 /nfs/dbraw/zinc/20/65/77/773206577.db2.gz XJWWIJBQBBGDHZ-UHFFFAOYSA-N 0 1 299.566 2.912 20 30 CFEDMN CC#CCN(CC)CCNC(=O)CC1(C)CCCCC1 ZINC001267244578 773255424 /nfs/dbraw/zinc/25/54/24/773255424.db2.gz IRNVANJOHUCJEA-UHFFFAOYSA-N 0 1 278.440 2.808 20 30 CFEDMN C=CCCC(=O)NC[C@H]1CCCN1Cc1ccsc1 ZINC001267263538 775118674 /nfs/dbraw/zinc/11/86/74/775118674.db2.gz KQHMFQOSXFCBQN-CQSZACIVSA-N 0 1 278.421 2.795 20 30 CFEDMN C/C=C(/C)C(=O)NC[C@H]1CCCN1Cc1ccc(C#N)cc1 ZINC001267264753 775121746 /nfs/dbraw/zinc/12/17/46/775121746.db2.gz WFCBNKNCRASUGJ-MFWALYKBSA-N 0 1 297.402 2.605 20 30 CFEDMN COc1cc(C#N)ccc1COC1CCN(CCF)CC1 ZINC001224188400 775122807 /nfs/dbraw/zinc/12/28/07/775122807.db2.gz CWEMTTHHQWBDSR-UHFFFAOYSA-N 0 1 292.354 2.517 20 30 CFEDMN C=CC(C)(C)CC(=O)NC[C@H]1CCCN1C[C@@H](F)CC ZINC001267267954 775126811 /nfs/dbraw/zinc/12/68/11/775126811.db2.gz USLOOIWTQHUSBT-UONOGXRCSA-N 0 1 284.419 2.917 20 30 CFEDMN CC#CCN1CCC[C@H]1CNC(=O)[C@@H](C)C(CC)CC ZINC001267269576 775130488 /nfs/dbraw/zinc/13/04/88/775130488.db2.gz BDNXHVRBMRNYBH-HOCLYGCPSA-N 0 1 278.440 2.663 20 30 CFEDMN Cc1cc(Nc2cc(C#N)c(F)cc2O)ccc1CO ZINC001211588325 775131959 /nfs/dbraw/zinc/13/19/59/775131959.db2.gz OIGQFWZTKVRHLC-UHFFFAOYSA-N 0 1 272.279 2.947 20 30 CFEDMN COCCCCO[C@@H]1CCN(Cc2ccccc2C#N)C1 ZINC001224317776 775155813 /nfs/dbraw/zinc/15/58/13/775155813.db2.gz POPXCPLLJYASBQ-QGZVFWFLSA-N 0 1 288.391 2.576 20 30 CFEDMN C=C(C)CN1CC[C@@H]1CNC(=O)[C@@H]1C[C@H]1CC(C)(C)C ZINC001038269830 775172220 /nfs/dbraw/zinc/17/22/20/775172220.db2.gz RRPMVYQSEPOKQE-RRFJBIMHSA-N 0 1 278.440 2.825 20 30 CFEDMN Cc1ccc2nc(N)n(-c3ccc(C#N)cc3F)c2c1 ZINC000168446798 775197084 /nfs/dbraw/zinc/19/70/84/775197084.db2.gz BAMIGNIRMJJSPF-UHFFFAOYSA-N 0 1 266.279 2.927 20 30 CFEDMN CC#CCN(CCNC(=O)C1(C)C(C)(C)C1(C)C)C1CC1 ZINC001267338499 775222988 /nfs/dbraw/zinc/22/29/88/775222988.db2.gz NCCWGFBYLJITBX-UHFFFAOYSA-N 0 1 290.451 2.663 20 30 CFEDMN C#CCN[C@H](CNC(=O)C(C)C)c1ccc(C(C)C)cc1 ZINC001267347014 775235687 /nfs/dbraw/zinc/23/56/87/775235687.db2.gz ZZYNEWNOAPMEIQ-QGZVFWFLSA-N 0 1 286.419 2.846 20 30 CFEDMN N#Cc1cccc(CN2CC3(CC[N@H+]3C3CCCC3)C2)c1F ZINC001277007121 775309894 /nfs/dbraw/zinc/30/98/94/775309894.db2.gz LBPYRWGWBQPHEW-UHFFFAOYSA-N 0 1 299.393 2.900 20 30 CFEDMN C=C(Cl)CNCCN(C)C(=O)c1ccc(CC)s1 ZINC001267398399 775313329 /nfs/dbraw/zinc/31/33/29/775313329.db2.gz KLEXYSHZYNVWGF-UHFFFAOYSA-N 0 1 286.828 2.725 20 30 CFEDMN N#CC1(CO[C@H]2CCN3Cc4ccccc4N=C23)CC1 ZINC001224948921 775314005 /nfs/dbraw/zinc/31/40/05/775314005.db2.gz VZJDRFCUOPWXHX-AWEZNQCLSA-N 0 1 267.332 2.625 20 30 CFEDMN C=C(Cl)CNCCN(C)C(=O)[C@H]1CCC[C@H]1CC ZINC001267425406 775321791 /nfs/dbraw/zinc/32/17/91/775321791.db2.gz WQSUEWFDEFLDPD-OLZOCXBDSA-N 0 1 272.820 2.613 20 30 CFEDMN C=CCN1CC[C@@H](N(CCC)C(=O)[C@H](CC)SC)C1 ZINC001267453321 775331410 /nfs/dbraw/zinc/33/14/10/775331410.db2.gz BREPSEVLTPSGAP-KGLIPLIRSA-N 0 1 284.469 2.627 20 30 CFEDMN N#Cc1ccc(CCNc2cccn3cncc23)cc1 ZINC001167679349 775342458 /nfs/dbraw/zinc/34/24/58/775342458.db2.gz NHKFVFMKCZZVFW-UHFFFAOYSA-N 0 1 262.316 2.861 20 30 CFEDMN Cc1cc(N(C)C)ncc1NCCc1ccc(C#N)cc1 ZINC001167679317 775343129 /nfs/dbraw/zinc/34/31/29/775343129.db2.gz PZQOPHJYOVCLHF-UHFFFAOYSA-N 0 1 280.375 2.982 20 30 CFEDMN C=C(C)CN1C[C@@H]2CCN(C(=O)c3ccc(C)s3)[C@@H]2C1 ZINC001075496584 775386061 /nfs/dbraw/zinc/38/60/61/775386061.db2.gz CQTIGDXQDMPXEH-UONOGXRCSA-N 0 1 290.432 2.779 20 30 CFEDMN C=CCCC(=O)N[C@@H]1CCCC[C@H]1NCc1cscn1 ZINC001225307579 775403100 /nfs/dbraw/zinc/40/31/00/775403100.db2.gz LLXZCPSEYLYXNC-ZIAGYGMSSA-N 0 1 293.436 2.626 20 30 CFEDMN CC#CCN[C@@H](CNC(=O)C1=CCCC1)c1ccccc1 ZINC001267518302 775412904 /nfs/dbraw/zinc/41/29/04/775412904.db2.gz ZWBSCDRDNMIDKS-KRWDZBQOSA-N 0 1 282.387 2.567 20 30 CFEDMN CC#CCN[C@H](CNC(=O)CCC(F)F)c1ccccc1 ZINC001267519764 775415517 /nfs/dbraw/zinc/41/55/17/775415517.db2.gz HBUKMYLKVDYKGN-CQSZACIVSA-N 0 1 294.345 2.502 20 30 CFEDMN C=C1O[C@H](C)C(=O)C1Oc1cc(Cl)ccc1C(=O)OC ZINC001225382142 775437046 /nfs/dbraw/zinc/43/70/46/775437046.db2.gz GILGTKNRCAMSDT-SSDOTTSWSA-N 0 1 296.706 2.725 20 30 CFEDMN CCC(C)(C)c1ccccc1O[C@@H]1CNC[C@H]1C#N ZINC001218200248 775497718 /nfs/dbraw/zinc/49/77/18/775497718.db2.gz FONWJOQRDXYUEU-IUODEOHRSA-N 0 1 258.365 2.865 20 30 CFEDMN C=C[C@]1(C)CC[C@H](C(C)(C)Oc2[nH]c(=O)ncc2F)O1 ZINC001225881707 775622693 /nfs/dbraw/zinc/62/26/93/775622693.db2.gz LMPDXEPRHNNIQQ-QMTHXVAHSA-N 0 1 282.315 2.602 20 30 CFEDMN C=C1O[C@@H](CC)C(=O)C1Oc1ccc([N+](=O)[O-])cc1F ZINC001225942653 775642341 /nfs/dbraw/zinc/64/23/41/775642341.db2.gz SDTFKMPERODIOF-JTQLQIEISA-N 0 1 281.239 2.722 20 30 CFEDMN N#C[C@H](Oc1cccc2[nH]nnc21)c1ccccc1 ZINC001225990956 775659026 /nfs/dbraw/zinc/65/90/26/775659026.db2.gz OUNJWTFISCBXOU-ZDUSSCGKSA-N 0 1 250.261 2.602 20 30 CFEDMN C[C@H](CC(C)(C)S)Oc1cccc2[nH]nnc21 ZINC001225991809 775660142 /nfs/dbraw/zinc/66/01/42/775660142.db2.gz KONDQHAUQVBTCE-MRVPVSSYSA-N 0 1 251.355 2.824 20 30 CFEDMN C=CCN1CCC[C@@H](NC(=O)CC[C@H](C)CC)C1 ZINC001267619407 775702465 /nfs/dbraw/zinc/70/24/65/775702465.db2.gz KRKCFJOREUPVJL-ZIAGYGMSSA-N 0 1 252.402 2.579 20 30 CFEDMN C=CCC[C@H](C)N1CC(NC(=O)C(CC)CC)C1 ZINC001267636614 775724209 /nfs/dbraw/zinc/72/42/09/775724209.db2.gz KILFNTKPXUONDB-LBPRGKRZSA-N 0 1 252.402 2.578 20 30 CFEDMN C=C(C)CCN1CC(NC(=O)CC(CC)CC)C1 ZINC001267662994 775761302 /nfs/dbraw/zinc/76/13/02/775761302.db2.gz GLFMRDNPUFTQOF-UHFFFAOYSA-N 0 1 252.402 2.579 20 30 CFEDMN CC(C)c1ccc(C#N)c(O[C@H]2CCCN(C)C2)n1 ZINC001226357323 775788791 /nfs/dbraw/zinc/78/87/91/775788791.db2.gz ZKSNKHZQYJYKTH-ZDUSSCGKSA-N 0 1 259.353 2.550 20 30 CFEDMN C=CCCCCCN1C[C@@H]2C[C@H]1CN2C(=O)[C@@H](F)CC ZINC001267711306 775799010 /nfs/dbraw/zinc/79/90/10/775799010.db2.gz RFDNAJFIIWOKGM-KKUMJFAQSA-N 0 1 282.403 2.766 20 30 CFEDMN C#C[C@@H]1CCC[C@@H]1Oc1[nH]c(=O)nc2ccc(F)cc21 ZINC001226408589 775808581 /nfs/dbraw/zinc/80/85/81/775808581.db2.gz LTVBKTIKOOJOHF-RNCFNFMXSA-N 0 1 272.279 2.655 20 30 CFEDMN C#CC[C@@H](CC)Oc1[nH]c(=O)nc2nc(Cl)ccc21 ZINC001226556388 775873504 /nfs/dbraw/zinc/87/35/04/775873504.db2.gz MJVUBGGVPXBFGU-MRVPVSSYSA-N 0 1 277.711 2.565 20 30 CFEDMN C=CCN1CC[C@@H](NC(=O)[C@@H](C)CCCCCC)C1 ZINC001267751267 775880758 /nfs/dbraw/zinc/88/07/58/775880758.db2.gz PZKHQEOMEJISOL-LSDHHAIUSA-N 0 1 266.429 2.969 20 30 CFEDMN C=CCN1CC[C@H](N(C)C(=O)[C@@H](CC)CCCC)C1 ZINC001267756457 775886137 /nfs/dbraw/zinc/88/61/37/775886137.db2.gz FWHKJJUKIOPDFH-GJZGRUSLSA-N 0 1 266.429 2.922 20 30 CFEDMN CC#CC[C@@H](CC)Oc1nc[nH]c(=O)c1Br ZINC001226722115 775938655 /nfs/dbraw/zinc/93/86/55/775938655.db2.gz OJZQBBLFLKJVOF-MRVPVSSYSA-N 0 1 285.141 2.516 20 30 CFEDMN C[C@H](CC(C)(C)S)Oc1nc2[nH]cnc2c(=S)[nH]1 ZINC001226781400 775961524 /nfs/dbraw/zinc/96/15/24/775961524.db2.gz GHFNRSLLCCKAOO-ZCFIWIBFSA-N 0 1 284.410 2.507 20 30 CFEDMN C#C[C@H](CCCC)Oc1nc(=O)[nH]c(C)c1Cl ZINC001227112361 776103309 /nfs/dbraw/zinc/10/33/09/776103309.db2.gz ZZKHWXVMKHRGOY-SECBINFHSA-N 0 1 254.717 2.715 20 30 CFEDMN C[C@H](Oc1nc2ccc(C#N)cc2[nH]1)c1cccnc1 ZINC001227216948 776141597 /nfs/dbraw/zinc/14/15/97/776141597.db2.gz YKUAGQQVBMHDDY-JTQLQIEISA-N 0 1 264.288 2.970 20 30 CFEDMN N#Cc1ccc2nc(OC[C@@H]3Cc4ccccc4O3)[nH]c2c1 ZINC001227216154 776142335 /nfs/dbraw/zinc/14/23/35/776142335.db2.gz OZZHEUKHOGWLNH-ZDUSSCGKSA-N 0 1 291.310 2.817 20 30 CFEDMN CC1(C)C[C@H](Oc2nc3ccc(C#N)cc3[nH]2)CCO1 ZINC001227221378 776144355 /nfs/dbraw/zinc/14/43/55/776144355.db2.gz YTYKFJOYNXANKH-LLVKDONJSA-N 0 1 271.320 2.771 20 30 CFEDMN CC[C@H](C#Cc1ccccc1)Oc1ncnc2nc[nH]c21 ZINC001227533362 776222856 /nfs/dbraw/zinc/22/28/56/776222856.db2.gz ALPNAUMDLLJHLB-CYBMUJFWSA-N 0 1 278.315 2.562 20 30 CFEDMN C=CC(C)(C)CC(=O)NC1CCN(C[C@@H](F)CC)CC1 ZINC001227561715 776229698 /nfs/dbraw/zinc/22/96/98/776229698.db2.gz CRANFZVANIFEHI-ZDUSSCGKSA-N 0 1 284.419 2.917 20 30 CFEDMN C=C[C@]1(C)CC[C@@H](C(C)(C)Oc2[nH]c(=S)nnc2C)O1 ZINC001227598166 776237726 /nfs/dbraw/zinc/23/77/26/776237726.db2.gz GTVHFXLHYAAQQE-IINYFYTJSA-N 0 1 295.408 2.750 20 30 CFEDMN CCCCCCCN1CC[C@H]2C[C@]21C(=O)NCC(F)F ZINC001277225945 776247188 /nfs/dbraw/zinc/24/71/88/776247188.db2.gz ZXBDRNMRVKQAJO-SWLSCSKDSA-N 0 1 288.382 2.803 20 30 CFEDMN CCCCCCCCCN1CCc2n[nH]c(C(N)=O)c2C1 ZINC001277232933 776262752 /nfs/dbraw/zinc/26/27/52/776262752.db2.gz FJFRDXNPJXBWND-UHFFFAOYSA-N 0 1 292.427 2.617 20 30 CFEDMN C=C[C@H](CCC)Oc1nc(=O)[nH]c2c1CO[C@H]2C ZINC001227715812 776268479 /nfs/dbraw/zinc/26/84/79/776268479.db2.gz HAHGAAUXUMMMHY-DTWKUNHWSA-N 0 1 250.298 2.507 20 30 CFEDMN Cc1nc(O[C@H]2CCCN(C)C2)c(C#N)c(C)c1Cl ZINC001227827888 776300584 /nfs/dbraw/zinc/30/05/84/776300584.db2.gz JUZVFOUAGVRQCR-NSHDSACASA-N 0 1 279.771 2.697 20 30 CFEDMN CCN1CCC[C@H](Oc2c(F)cc(C#N)cc2F)C1 ZINC001228080460 776387672 /nfs/dbraw/zinc/38/76/72/776387672.db2.gz QRVVBIMFQDFSJA-NSHDSACASA-N 0 1 266.291 2.700 20 30 CFEDMN CCN1CCC[C@@H](Oc2c(F)cc(C#N)cc2F)C1 ZINC001228080458 776388464 /nfs/dbraw/zinc/38/84/64/776388464.db2.gz QRVVBIMFQDFSJA-LLVKDONJSA-N 0 1 266.291 2.700 20 30 CFEDMN C=C(C)CN1CCC[C@H]1CNC(=O)c1cc(C)cs1 ZINC001027873597 776486578 /nfs/dbraw/zinc/48/65/78/776486578.db2.gz GSWWACLRGNJRHR-ZDUSSCGKSA-N 0 1 278.421 2.827 20 30 CFEDMN CC#CCN1CCC[C@H]1CNC(=O)[C@@H]1CCC(C)=C(C)C1 ZINC001027904254 776501922 /nfs/dbraw/zinc/50/19/22/776501922.db2.gz SNONYPZISHKYHA-SJORKVTESA-N 0 1 288.435 2.727 20 30 CFEDMN C#C[C@H](Oc1[nH]c(=O)ncc1Cl)c1ccccc1 ZINC001228480845 776504094 /nfs/dbraw/zinc/50/40/94/776504094.db2.gz PZEBDAKTHCSBLH-NSHDSACASA-N 0 1 260.680 2.589 20 30 CFEDMN C=CCN1CCC[C@@H]1CNC(=O)c1cc(F)c(C)cc1F ZINC001027948233 776522019 /nfs/dbraw/zinc/52/20/19/776522019.db2.gz CNZBSZIXDSANPA-GFCCVEGCSA-N 0 1 294.345 2.653 20 30 CFEDMN C=CCN1CCC[C@H]1CNC(=O)c1cscc1Cl ZINC001027950334 776523807 /nfs/dbraw/zinc/52/38/07/776523807.db2.gz BZMWOCVESWXZJY-JTQLQIEISA-N 0 1 284.812 2.782 20 30 CFEDMN C=CCN1CCC[C@H]1CNC(=O)c1cc(C)c(F)cc1F ZINC001027960680 776527928 /nfs/dbraw/zinc/52/79/28/776527928.db2.gz GJJBNNBRGIRGJK-LBPRGKRZSA-N 0 1 294.345 2.653 20 30 CFEDMN C#C[C@@H](CCCC)Oc1nc(C2CC2)[nH]c(=O)c1[N+](=O)[O-] ZINC001228609283 776538365 /nfs/dbraw/zinc/53/83/65/776538365.db2.gz CGERWYFPYBXCJJ-JTQLQIEISA-N 0 1 291.307 2.539 20 30 CFEDMN C=CCN1CCC[C@H]1CNC(=O)c1cc(F)ccc1CC ZINC001027996166 776546341 /nfs/dbraw/zinc/54/63/41/776546341.db2.gz FRUHCVVVBUCAQK-HNNXBMFYSA-N 0 1 290.382 2.768 20 30 CFEDMN N#Cc1ccc(COC2CCN(CCF)CC2)s1 ZINC001223289150 776559131 /nfs/dbraw/zinc/55/91/31/776559131.db2.gz SXDBMHBCHODENX-UHFFFAOYSA-N 0 1 268.357 2.570 20 30 CFEDMN CC#CCN1CCC[C@@H]1CNC(=O)C1CCC2(CC2)CC1 ZINC001028031066 776565442 /nfs/dbraw/zinc/56/54/42/776565442.db2.gz CDFHXROCJKEZPI-MRXNPFEDSA-N 0 1 288.435 2.561 20 30 CFEDMN N#Cc1cnc(NCCN2CCSCC2)c2ccccc12 ZINC001167832836 776566785 /nfs/dbraw/zinc/56/67/85/776566785.db2.gz PQUXKSJFQYHOJG-UHFFFAOYSA-N 0 1 298.415 2.567 20 30 CFEDMN C#CCN1CCC[C@H]1CNC(=O)c1csc2ccccc12 ZINC001028058013 776575642 /nfs/dbraw/zinc/57/56/42/776575642.db2.gz UOULHSOWEBPPEP-ZDUSSCGKSA-N 0 1 298.411 2.729 20 30 CFEDMN C=C[C@H](C)[C@@H](C)C(=O)NC1CCN(C/C=C\Cl)CC1 ZINC001228749282 776596874 /nfs/dbraw/zinc/59/68/74/776596874.db2.gz RJKARNDAFSUMTH-SDIVBXRLSA-N 0 1 284.831 2.778 20 30 CFEDMN C=CCN1CCC[C@@H]1CNC(=O)c1occc1C(C)C ZINC001028095195 776612407 /nfs/dbraw/zinc/61/24/07/776612407.db2.gz DVJNJFMXTHONPO-CYBMUJFWSA-N 0 1 276.380 2.783 20 30 CFEDMN CCCCCCCNC(=O)N1CCCC2(CN(C)C2)C1 ZINC001277329717 776617045 /nfs/dbraw/zinc/61/70/45/776617045.db2.gz AQRMHFFOGJTEDA-UHFFFAOYSA-N 0 1 281.444 2.694 20 30 CFEDMN C=C[C@@H](C)Oc1[nH]c(=O)nc2ccc(Cl)cc21 ZINC001228911078 776654499 /nfs/dbraw/zinc/65/44/99/776654499.db2.gz AAOXLEPJAODFQN-SSDOTTSWSA-N 0 1 250.685 2.942 20 30 CFEDMN C=CCN1CCC[C@H]1CNC(=O)c1cc(F)cc(Cl)c1 ZINC001028159121 776668876 /nfs/dbraw/zinc/66/88/76/776668876.db2.gz AAPUVNKFWNTXOT-AWEZNQCLSA-N 0 1 296.773 2.859 20 30 CFEDMN C=CCN1CCC[C@H]1CNC(=O)c1cc(C)cc(F)c1 ZINC001028159956 776671150 /nfs/dbraw/zinc/67/11/50/776671150.db2.gz YRSUGFHPBDHIAI-HNNXBMFYSA-N 0 1 276.355 2.514 20 30 CFEDMN C=C[C@H](CC(=O)OC(C)(C)C)Oc1nnc2c[nH]ccc1-2 ZINC001228989308 776679819 /nfs/dbraw/zinc/67/98/19/776679819.db2.gz GCVXVPLXLYUPGB-SNVBAGLBSA-N 0 1 289.335 2.623 20 30 CFEDMN C=C1O[C@@H](CC)C(=O)C1Oc1cc(Cl)c(Cl)nn1 ZINC001228993861 776681051 /nfs/dbraw/zinc/68/10/51/776681051.db2.gz WRVBUCXPUOJUKA-ZETCQYMHSA-N 0 1 289.118 2.772 20 30 CFEDMN N#C[C@@H](Oc1nnc2c[nH]ccc1-2)c1ccccc1F ZINC001228994884 776682941 /nfs/dbraw/zinc/68/29/41/776682941.db2.gz KMVKDDHZDXZRLF-CYBMUJFWSA-N 0 1 268.251 2.741 20 30 CFEDMN C=CCN1CCC[C@@H]1CNC(=O)c1csc(Cl)c1 ZINC001028181304 776683694 /nfs/dbraw/zinc/68/36/94/776683694.db2.gz QVPADQWOAYXMIW-LLVKDONJSA-N 0 1 284.812 2.782 20 30 CFEDMN C=CCN1CCC[C@@H]1CNC(=O)C12CCC(CC1)C2(C)C ZINC001028186586 776689627 /nfs/dbraw/zinc/68/96/27/776689627.db2.gz OGIPUTULYLPEGP-SWKXRBFHSA-N 0 1 290.451 2.969 20 30 CFEDMN C=C[C@](C)(CC)C(=O)NC1CCN(C/C=C\Cl)CC1 ZINC001229017490 776690865 /nfs/dbraw/zinc/69/08/65/776690865.db2.gz TYONNRFGCOOANA-WUKHSURWSA-N 0 1 284.831 2.922 20 30 CFEDMN C=C[C@](C)(CC)C(=O)NC1CCN(C[C@@H](F)CC)CC1 ZINC001229048944 776701189 /nfs/dbraw/zinc/70/11/89/776701189.db2.gz QKOPNYHQPRDDMX-XJKSGUPXSA-N 0 1 284.419 2.917 20 30 CFEDMN C=CCN1CCC[C@@H]1CNC(=O)c1csc(C(C)C)n1 ZINC001028205110 776708106 /nfs/dbraw/zinc/70/81/06/776708106.db2.gz HETBJFJTPRLFBL-GFCCVEGCSA-N 0 1 293.436 2.647 20 30 CFEDMN C=C(C)CCC(=O)N(C)CCN(C)Cc1cnccc1C ZINC001268239347 776716191 /nfs/dbraw/zinc/71/61/91/776716191.db2.gz MONLWFLSDYXONM-UHFFFAOYSA-N 0 1 289.423 2.637 20 30 CFEDMN C=CCN1CCC[C@H]1CNC(=O)c1ccccc1Cl ZINC001028278463 776793262 /nfs/dbraw/zinc/79/32/62/776793262.db2.gz OEDNGRORBXKXJC-LBPRGKRZSA-N 0 1 278.783 2.720 20 30 CFEDMN C#CCN1CCC[C@H]1CNC(=O)c1ccc(C(C)(C)C)cc1 ZINC001028279424 776795517 /nfs/dbraw/zinc/79/55/17/776795517.db2.gz NAHZITUUEIPAGF-KRWDZBQOSA-N 0 1 298.430 2.812 20 30 CFEDMN C#CC[C@H](CC)Oc1[nH]c(=O)nc2c(C)cccc12 ZINC001229408859 776803951 /nfs/dbraw/zinc/80/39/51/776803951.db2.gz YXCSKNIIZOVUFI-NSHDSACASA-N 0 1 256.305 2.825 20 30 CFEDMN C#C[C@@H]1CCC[C@@H]1Oc1[nH]c(=O)nc2c(C)cccc12 ZINC001229409002 776805260 /nfs/dbraw/zinc/80/52/60/776805260.db2.gz ZAIJMPQGBISGQH-YPMHNXCESA-N 0 1 268.316 2.825 20 30 CFEDMN C#C[C@@H]1CCC[C@H]1Oc1[nH]c(=O)nc2c(C)cccc12 ZINC001229408991 776805279 /nfs/dbraw/zinc/80/52/79/776805279.db2.gz ZAIJMPQGBISGQH-DGCLKSJQSA-N 0 1 268.316 2.825 20 30 CFEDMN C#CCN1CCC(NC(=O)[C@H](C)[C@H](C)C(C)(C)C)CC1 ZINC001229584011 776852368 /nfs/dbraw/zinc/85/23/68/776852368.db2.gz ROLHRIFBQJPRCV-KGLIPLIRSA-N 0 1 278.440 2.519 20 30 CFEDMN C=CCN1CCC[C@@H]1CNC(=O)c1cc(Cl)cn1CC ZINC001028322112 776856254 /nfs/dbraw/zinc/85/62/54/776856254.db2.gz XJILQWIDQBLVMA-CYBMUJFWSA-N 0 1 295.814 2.542 20 30 CFEDMN C=CC[N@H+]1CCC[C@@H]1CNC(=O)[C@H]1CC2CCC1CC2 ZINC001028334527 776859585 /nfs/dbraw/zinc/85/95/85/776859585.db2.gz CFGFABSJEMPZJI-FJBKBRRZSA-N 0 1 276.424 2.579 20 30 CFEDMN C=C(C)C[N@H+]1CCC[C@@H]1CNC(=O)c1cccc2c1CCC2 ZINC001028341705 776865585 /nfs/dbraw/zinc/86/55/85/776865585.db2.gz RTAZSRWBJNCYIT-MRXNPFEDSA-N 0 1 298.430 2.946 20 30 CFEDMN C=C1O[C@@H](CC)C(=O)C1Oc1ccc([N+](=O)[O-])nc1Cl ZINC001229920671 776918519 /nfs/dbraw/zinc/91/85/19/776918519.db2.gz WGRIYGVKOJYSFQ-ZETCQYMHSA-N 0 1 298.682 2.631 20 30 CFEDMN CC#CCN1CCC(NC(=O)C[C@H](CC)C(C)C)CC1 ZINC001230090001 776954490 /nfs/dbraw/zinc/95/44/90/776954490.db2.gz DYLWWQAFEQUPLC-HNNXBMFYSA-N 0 1 278.440 2.663 20 30 CFEDMN CC#CCN1CCC(NC(=O)C[C@H](C)c2ccccc2)CC1 ZINC001230189201 776958074 /nfs/dbraw/zinc/95/80/74/776958074.db2.gz WEYBHZXVOTWWMR-INIZCTEOSA-N 0 1 298.430 2.784 20 30 CFEDMN CC#CCN1CCC(NC(=O)CCCC2CCCC2)CC1 ZINC001230393697 776989635 /nfs/dbraw/zinc/98/96/35/776989635.db2.gz KMRHZOBQCLBBIO-UHFFFAOYSA-N 0 1 290.451 2.951 20 30 CFEDMN CC#C[C@H](CC)Oc1cc2[nH]ncc2cc1[N+](=O)[O-] ZINC001230602297 777023276 /nfs/dbraw/zinc/02/32/76/777023276.db2.gz ZJWCTSLZVNSKLT-JTQLQIEISA-N 0 1 259.265 2.652 20 30 CFEDMN C#C[C@H]1CCC[C@H]1Oc1cc2[nH]ncc2cc1[N+](=O)[O-] ZINC001230600150 777023303 /nfs/dbraw/zinc/02/33/03/777023303.db2.gz CGENNKOJTAYRNS-TVQRCGJNSA-N 0 1 271.276 2.652 20 30 CFEDMN C#C[C@@H](CC(C)C)Oc1cc2[nH]ncc2cc1[N+](=O)[O-] ZINC001230600191 777024200 /nfs/dbraw/zinc/02/42/00/777024200.db2.gz CTQOBMKUPCIUAI-NSHDSACASA-N 0 1 273.292 2.898 20 30 CFEDMN C=C(Cl)CNC[C@H](C)NC(=O)CC(C)=C(C)C ZINC001268699320 777024234 /nfs/dbraw/zinc/02/42/34/777024234.db2.gz HKGAUYORYINXPY-LBPRGKRZSA-N 0 1 258.793 2.580 20 30 CFEDMN C=C(Cl)CNC[C@H](C)NC(=O)[C@@]1(C)CC=C(C)CC1 ZINC001268717087 777030303 /nfs/dbraw/zinc/03/03/03/777030303.db2.gz QRTJAUMZPOUHET-ZFWWWQNUSA-N 0 1 284.831 2.970 20 30 CFEDMN CC#CCN(C)C[C@@H](C)NC(=O)CC1(c2ccccc2)CC1 ZINC001268731800 777037556 /nfs/dbraw/zinc/03/75/56/777037556.db2.gz BZNOLGDDLHDQKQ-MRXNPFEDSA-N 0 1 298.430 2.568 20 30 CFEDMN CC#CCN(C)C[C@@H](C)NC(=O)C[C@@H]1CCc2ccccc21 ZINC001268752195 777044253 /nfs/dbraw/zinc/04/42/53/777044253.db2.gz OZUDKQJRYNVXPM-WBVHZDCISA-N 0 1 298.430 2.566 20 30 CFEDMN C#CCN(C)C[C@H](C)NC(=O)C(C)(C)C1CCCCC1 ZINC001268750175 777044644 /nfs/dbraw/zinc/04/46/44/777044644.db2.gz IZDNBOLQLJHROL-AWEZNQCLSA-N 0 1 278.440 2.663 20 30 CFEDMN C=CCCCCC[N@@H+]1CC[C@H]1CN(C)C(=O)CSC ZINC001230714985 777048969 /nfs/dbraw/zinc/04/89/69/777048969.db2.gz NPWAAKCEZWNQJJ-AWEZNQCLSA-N 0 1 284.469 2.629 20 30 CFEDMN C=C1O[C@H](C)C(=O)C1Oc1cc(Cl)nc(Cl)c1 ZINC001225603727 777075786 /nfs/dbraw/zinc/07/57/86/777075786.db2.gz DETQEVQEDPKKSG-RXMQYKEDSA-N 0 1 274.103 2.987 20 30 CFEDMN C#CCCCC(=O)N1C[C@@H]2C[C@H]1CN2CC1=CCCCC1 ZINC001268939922 777076262 /nfs/dbraw/zinc/07/62/62/777076262.db2.gz WDAGETKAZFAJFI-IRXDYDNUSA-N 0 1 286.419 2.575 20 30 CFEDMN C=C[C@@H](C)Oc1[nH]c(=O)nc2cccc(Cl)c21 ZINC001230885620 777082404 /nfs/dbraw/zinc/08/24/04/777082404.db2.gz MFKOSRKWDWNAJK-SSDOTTSWSA-N 0 1 250.685 2.942 20 30 CFEDMN CCC#C[C@@H](C)Oc1[nH]c(=O)nc2cc(C)ccc21 ZINC001230888385 777083386 /nfs/dbraw/zinc/08/33/86/777083386.db2.gz LOLJVFNMZLHFLL-LLVKDONJSA-N 0 1 256.305 2.825 20 30 CFEDMN C#C[C@H](Oc1[nH]c(=O)nc2cc(C)ccc21)C(C)C ZINC001230889027 777083524 /nfs/dbraw/zinc/08/35/24/777083524.db2.gz RIVDTFMBKKQXSJ-ZDUSSCGKSA-N 0 1 256.305 2.680 20 30 CFEDMN CCC(=O)NCCCN(C)CC#Cc1cccc(Cl)c1 ZINC001230968584 777104349 /nfs/dbraw/zinc/10/43/49/777104349.db2.gz CREQPQMFSWMBRS-UHFFFAOYSA-N 0 1 292.810 2.540 20 30 CFEDMN C=CCCCC(=O)N[C@@H]1CCN(Cc2ccc(F)cc2)C1 ZINC001269159543 777124968 /nfs/dbraw/zinc/12/49/68/777124968.db2.gz JSUOXFCISJYCIA-MRXNPFEDSA-N 0 1 290.382 2.873 20 30 CFEDMN CC#CC[C@H](CC)Oc1nc(Cl)nc2[nH]ncc21 ZINC001231047285 777125263 /nfs/dbraw/zinc/12/52/63/777125263.db2.gz OANKQKPWKVPNPR-QMMMGPOBSA-N 0 1 264.716 2.577 20 30 CFEDMN C[C@H](C#C[Si](C)(C)C)Oc1nc(Cl)nc2[nH]ncc21 ZINC001231047168 777125285 /nfs/dbraw/zinc/12/52/85/777125285.db2.gz LMMMYSMOMGZEAV-MRVPVSSYSA-N 0 1 294.818 2.654 20 30 CFEDMN C#C[C@@H](CC(C)C)Oc1[nH]c(=O)nc2cccc(F)c21 ZINC001231073127 777132343 /nfs/dbraw/zinc/13/23/43/777132343.db2.gz FUBDMZYQSXTVQU-JTQLQIEISA-N 0 1 274.295 2.901 20 30 CFEDMN C=CCCC(=O)N(C)C[C@@H]1CCN1Cc1ccc(C)cc1 ZINC001231112557 777143607 /nfs/dbraw/zinc/14/36/07/777143607.db2.gz CSUXALKFDBZSNX-KRWDZBQOSA-N 0 1 286.419 2.994 20 30 CFEDMN C=CC[C@H](Oc1nc(C)cc(O)c1[N+](=O)[O-])C(C)C ZINC001231265116 777180960 /nfs/dbraw/zinc/18/09/60/777180960.db2.gz YMWDWYFHSKXWTJ-NSHDSACASA-N 0 1 266.297 2.983 20 30 CFEDMN C=C(C)C(=O)Nc1ccc(OC2C(=C)O[C@H](C)C2=O)cc1 ZINC001231315449 777189584 /nfs/dbraw/zinc/18/95/84/777189584.db2.gz QWGJTRAVDNHXGG-SNVBAGLBSA-N 0 1 287.315 2.799 20 30 CFEDMN C#C[C@@H]1CCC[C@H]1Oc1[nH]c(=O)nc2c(OC)cccc12 ZINC001231347438 777197478 /nfs/dbraw/zinc/19/74/78/777197478.db2.gz LBVOKVSFVHBZLI-ZYHUDNBSSA-N 0 1 284.315 2.525 20 30 CFEDMN C=CCCCC(=O)N(C)C1CN([C@H](C)CCC=C)C1 ZINC001269837729 777255982 /nfs/dbraw/zinc/25/59/82/777255982.db2.gz BATPQPCSOKBSIE-CQSZACIVSA-N 0 1 264.413 2.840 20 30 CFEDMN C=C(C)CCN1CC(N(C)C(=O)C[C@@H](C)c2ccco2)C1 ZINC001269876665 777264070 /nfs/dbraw/zinc/26/40/70/777264070.db2.gz WBPDECNHRGADNX-CQSZACIVSA-N 0 1 290.407 2.882 20 30 CFEDMN C#Cc1cccc(CN2CCC[C@@H](NC(=O)OCC=C)C2)c1 ZINC001231664899 777301009 /nfs/dbraw/zinc/30/10/09/777301009.db2.gz YXWCOPCHJUEXDW-QGZVFWFLSA-N 0 1 298.386 2.545 20 30 CFEDMN C=C(C)C[N@H+](CC)Cc1ccc(OC)c(C(=O)[O-])c1 ZINC001231754425 777326004 /nfs/dbraw/zinc/32/60/04/777326004.db2.gz XOQNGMMSVPIBBX-UHFFFAOYSA-N 0 1 263.337 2.791 20 30 CFEDMN CC(C)Oc1ncccc1CN1CCC(S)CC1 ZINC001231758933 777326915 /nfs/dbraw/zinc/32/69/15/777326915.db2.gz HRAOPNHXKMGTLV-UHFFFAOYSA-N 0 1 266.410 2.763 20 30 CFEDMN CN(CCC#N)c1ccc(C[N@H+]2C[C@@H]3C[C@@H]3[C@H](F)C2)cc1 ZINC001231816126 777342635 /nfs/dbraw/zinc/34/26/35/777342635.db2.gz JRFRVBRVGOSPCI-BHYGNILZSA-N 0 1 287.382 2.826 20 30 CFEDMN CN(CCC#N)c1ccc(CN2C[C@@H]3C[C@@H]3[C@H](F)C2)cc1 ZINC001231816126 777342637 /nfs/dbraw/zinc/34/26/37/777342637.db2.gz JRFRVBRVGOSPCI-BHYGNILZSA-N 0 1 287.382 2.826 20 30 CFEDMN CN(CCC#N)c1ccc(C[N@H+]2C[C@@H]3C[C@@H]3[C@@H](F)C2)cc1 ZINC001231816129 777343385 /nfs/dbraw/zinc/34/33/85/777343385.db2.gz JRFRVBRVGOSPCI-XIRDDKMYSA-N 0 1 287.382 2.826 20 30 CFEDMN CN(CCC#N)c1ccc(CN2C[C@@H]3C[C@@H]3[C@@H](F)C2)cc1 ZINC001231816129 777343390 /nfs/dbraw/zinc/34/33/90/777343390.db2.gz JRFRVBRVGOSPCI-XIRDDKMYSA-N 0 1 287.382 2.826 20 30 CFEDMN C=CCC[C@@H](C)N1CC(N(C)C(=O)[C@H]2[C@@H]3CCC[C@@H]32)C1 ZINC001277575483 777345049 /nfs/dbraw/zinc/34/50/49/777345049.db2.gz LGVXOUPLRMHJGZ-OJLVUWQFSA-N 0 1 276.424 2.530 20 30 CFEDMN C=C[C@@H](CC)CC(=O)N1CC[C@H]2CC[C@@H](C1)N2CCF ZINC001270491352 777393551 /nfs/dbraw/zinc/39/35/51/777393551.db2.gz KGALSUBNXAUUQU-ZNMIVQPWSA-N 0 1 282.403 2.624 20 30 CFEDMN CCCC[C@@H](CC)CN1CCC12CN(C(=O)[C@H](C)C#N)C2 ZINC001270501367 777394346 /nfs/dbraw/zinc/39/43/46/777394346.db2.gz KKILVNVQOFWHKB-HUUCEWRRSA-N 0 1 291.439 2.649 20 30 CFEDMN CCCC[C@H](CC)CN1C[C@H]2C[C@@H](C1)N2C(=O)[C@@H](C)C#N ZINC001270501578 777394433 /nfs/dbraw/zinc/39/44/33/777394433.db2.gz NCZAJRAIPNKYEG-YHUYYLMFSA-N 0 1 291.439 2.648 20 30 CFEDMN N#C[C@H]1CCCN(Cc2cc3ncccc3[nH]2)CC1 ZINC001232065281 777427028 /nfs/dbraw/zinc/42/70/28/777427028.db2.gz QVCXGZQIZWRYFN-LBPRGKRZSA-N 0 1 254.337 2.689 20 30 CFEDMN N#C[C@@H]1CN(Cc2c(F)cc(F)cc2Cl)CCC1=O ZINC001232102254 777441942 /nfs/dbraw/zinc/44/19/42/777441942.db2.gz RQHAJIINKHWHQO-MRVPVSSYSA-N 0 1 284.693 2.533 20 30 CFEDMN C[C@H]1CN(Cc2ccc(C#N)c(Cl)c2)CC[C@]1(C)O ZINC001232111108 777442745 /nfs/dbraw/zinc/44/27/45/777442745.db2.gz AJDYNHKNXLRPQP-NHYWBVRUSA-N 0 1 278.783 2.804 20 30 CFEDMN C[C@@H](CC(C)(C)S)Oc1n[nH]c2ncccc12 ZINC001226304807 777499422 /nfs/dbraw/zinc/49/94/22/777499422.db2.gz GCKJBTZYZMYYAY-QMMMGPOBSA-N 0 1 251.355 2.824 20 30 CFEDMN C=CCN1CC2(C1)CCN(C(=O)[C@H](C)CCC)CC2 ZINC001270837766 777511280 /nfs/dbraw/zinc/51/12/80/777511280.db2.gz MWEINXKBHDSSTG-CQSZACIVSA-N 0 1 264.413 2.533 20 30 CFEDMN CCOc1ncc(CN2CCC[C@@H](C#N)CC2)cc1C ZINC001232305223 777512065 /nfs/dbraw/zinc/51/20/65/777512065.db2.gz COAGACDFNRZGQV-CQSZACIVSA-N 0 1 273.380 2.914 20 30 CFEDMN Cc1ncc(CN(CCC#N)Cc2ccccc2)[nH]1 ZINC001232458692 777566361 /nfs/dbraw/zinc/56/63/61/777566361.db2.gz QRWVRZJOSXDNQU-UHFFFAOYSA-N 0 1 254.337 2.634 20 30 CFEDMN N#Cc1ccnc(CN2CCC(Cc3ccncc3)CC2)c1 ZINC001232480180 777576465 /nfs/dbraw/zinc/57/64/65/777576465.db2.gz MNDTZPXCAWURPB-UHFFFAOYSA-N 0 1 292.386 2.803 20 30 CFEDMN C=C(Br)CN1C[C@H]2CSC[C@@]2(C)C1 ZINC000725464934 777643622 /nfs/dbraw/zinc/64/36/22/777643622.db2.gz GLHRLXQWYDUAQL-VHSXEESVSA-N 0 1 262.216 2.580 20 30 CFEDMN CC(C)[N@@H+](Cc1cc(C#N)ccc1[O-])C1CCN(C)CC1 ZINC001232681105 777640767 /nfs/dbraw/zinc/64/07/67/777640767.db2.gz KZOYSNAMEYAJJB-UHFFFAOYSA-N 0 1 287.407 2.568 20 30 CFEDMN C=CCC[C@@H](C)N1CC(N(C)C(=O)C[C@@H](C)C2CC2)C1 ZINC001277706584 777648763 /nfs/dbraw/zinc/64/87/63/777648763.db2.gz AQBUAJJTKRUVIO-ZIAGYGMSSA-N 0 1 278.440 2.920 20 30 CFEDMN C#CCN1CC[C@H](NC(=O)[C@H]2CCC(C)=C(C)C2)[C@H]1CC ZINC001087584171 777663657 /nfs/dbraw/zinc/66/36/57/777663657.db2.gz QTVAJXVMUSHSCQ-YESZJQIVSA-N 0 1 288.435 2.725 20 30 CFEDMN C=CCN1CC[C@H](NC(=O)c2cc3ncccc3o2)[C@H]1CC ZINC001087661507 777674207 /nfs/dbraw/zinc/67/42/07/777674207.db2.gz NUCBTGYLEGEKKF-GXTWGEPZSA-N 0 1 299.374 2.597 20 30 CFEDMN CC(C)(O)CN(Cc1ccccc1)Cc1cccc(C#N)n1 ZINC001232926293 777721947 /nfs/dbraw/zinc/72/19/47/777721947.db2.gz HLRJRHMUMRNGMG-UHFFFAOYSA-N 0 1 295.386 2.726 20 30 CFEDMN Cc1ccc(CN2CCC3(CCCC(=O)N3)CC2)c(C#N)c1 ZINC001232965193 777741075 /nfs/dbraw/zinc/74/10/75/777741075.db2.gz QAQONBKABCHZSN-UHFFFAOYSA-N 0 1 297.402 2.501 20 30 CFEDMN Cc1ccc(CN2C[C@@H]3CCCC(=O)[C@@H]3C2)c(C#N)c1 ZINC001232969499 777744368 /nfs/dbraw/zinc/74/43/68/777744368.db2.gz QQDSWQNKFAQHFL-GOEBONIOSA-N 0 1 268.360 2.668 20 30 CFEDMN C=C1O[C@@H](C)C(=O)C1Oc1ccnc(C(F)(F)F)c1 ZINC001227073986 777757577 /nfs/dbraw/zinc/75/75/77/777757577.db2.gz RVRGCNRTGSOHCB-LURJTMIESA-N 0 1 273.210 2.699 20 30 CFEDMN Cc1cc(C#N)ccc1CN1CC2(C1)C[C@H](F)CS2 ZINC001233082182 777791808 /nfs/dbraw/zinc/79/18/08/777791808.db2.gz CRCXFNOMCHAOIE-AWEZNQCLSA-N 0 1 276.380 2.896 20 30 CFEDMN Cc1cc(C#N)ccc1CN1CCC2SC(=O)C=C2C1 ZINC001233080429 777791858 /nfs/dbraw/zinc/79/18/58/777791858.db2.gz YAVKTCIQMSBKEK-HNNXBMFYSA-N 0 1 284.384 2.641 20 30 CFEDMN C#C[C@H](CCCCC)Oc1[nH]c(=O)nc2[nH]ccc21 ZINC001227271140 777799388 /nfs/dbraw/zinc/79/93/88/777799388.db2.gz QSJLWKIZFCVXBS-SNVBAGLBSA-N 0 1 259.309 2.624 20 30 CFEDMN C=CCCC(=O)NC[C@H](NCC#CC)c1ccccc1CC ZINC001271437506 777850074 /nfs/dbraw/zinc/85/00/74/777850074.db2.gz HYPBJHNWJMDBRB-SFHVURJKSA-N 0 1 298.430 2.985 20 30 CFEDMN CC[NH+](CC)C1CCN(Cc2ccc(C#N)cc2[O-])CC1 ZINC001233386573 777929112 /nfs/dbraw/zinc/92/91/12/777929112.db2.gz ZEVJGHJBPMTSTN-UHFFFAOYSA-N 0 1 287.407 2.570 20 30 CFEDMN COC(C)(C)[C@@H]1CCC[N@H+]1Cc1ccc(C#N)cc1[O-] ZINC001233386555 777929344 /nfs/dbraw/zinc/92/93/44/777929344.db2.gz YLUCVKPLZPQEPV-HNNXBMFYSA-N 0 1 274.364 2.653 20 30 CFEDMN N#C[C@@H]1CN(Cc2ccc3nc(Cl)ccc3c2)CCC1=O ZINC001233445300 777953359 /nfs/dbraw/zinc/95/33/59/777953359.db2.gz ZGPWDLKVJXXSOW-CYBMUJFWSA-N 0 1 299.761 2.803 20 30 CFEDMN N#CCC1CN(Cc2ccc(C(F)(F)F)cc2O)C1 ZINC001233451667 777958340 /nfs/dbraw/zinc/95/83/40/777958340.db2.gz UULRQYUQVJFNNZ-UHFFFAOYSA-N 0 1 270.254 2.756 20 30 CFEDMN CCC1=C(Oc2[nH]nc3c2cccc3F)C(=O)[C@@H](C)O1 ZINC001233613489 778013632 /nfs/dbraw/zinc/01/36/32/778013632.db2.gz YQADHRPESRGVKZ-SSDOTTSWSA-N 0 1 276.267 2.690 20 30 CFEDMN C#CCCCCC(=O)N(C)C[C@H]1CCN1Cc1ccccc1 ZINC001233762563 778067518 /nfs/dbraw/zinc/06/75/18/778067518.db2.gz SLRFHOVNIFMFNS-GOSISDBHSA-N 0 1 298.430 2.913 20 30 CFEDMN C=C(C)C[N@@H+]1CC[C@H]1CN(C)C(=O)[C@@H](C)CCCC ZINC001234040184 778147483 /nfs/dbraw/zinc/14/74/83/778147483.db2.gz UOSHBUVTCLBEDA-GJZGRUSLSA-N 0 1 266.429 2.922 20 30 CFEDMN C=C(C)CN1CC[C@H]1CN(C)C(=O)[C@@H](C)CCCC ZINC001234040184 778147484 /nfs/dbraw/zinc/14/74/84/778147484.db2.gz UOSHBUVTCLBEDA-GJZGRUSLSA-N 0 1 266.429 2.922 20 30 CFEDMN CC#C[C@@H](CC)Oc1nc2cccc(C(=O)OC)c2[n-]1 ZINC001234046202 778151638 /nfs/dbraw/zinc/15/16/38/778151638.db2.gz ZMMVNFCTHWCUCA-SNVBAGLBSA-N 0 1 272.304 2.530 20 30 CFEDMN CC#C[C@@H](CC)Oc1nc2cccc(C(=O)OC)c2[nH]1 ZINC001234046202 778151643 /nfs/dbraw/zinc/15/16/43/778151643.db2.gz ZMMVNFCTHWCUCA-SNVBAGLBSA-N 0 1 272.304 2.530 20 30 CFEDMN C=C1O[C@@H](CC)C(=O)C1Oc1cnc(OC)c(Cl)c1 ZINC001234045137 778151745 /nfs/dbraw/zinc/15/17/45/778151745.db2.gz AWBZFLISUKVRTL-JTQLQIEISA-N 0 1 283.711 2.732 20 30 CFEDMN C=CCN1CC[C@H]1CN(C)C(=O)CC1(C)CCCC1 ZINC001234078342 778158741 /nfs/dbraw/zinc/15/87/41/778158741.db2.gz NIKGXXSNEMEWDM-AWEZNQCLSA-N 0 1 264.413 2.676 20 30 CFEDMN C[C@H]1CCC[C@H]1Oc1[nH]c(=O)nc2cccc(C#N)c21 ZINC001234511601 778241423 /nfs/dbraw/zinc/24/14/23/778241423.db2.gz RSOAIJXIHSJLNE-JOYOIKCWSA-N 0 1 269.304 2.774 20 30 CFEDMN N#Cc1ccc2nc(=O)[nH]c(O[C@@H]3CCCC[C@@H]3F)c2c1 ZINC001234530687 778244675 /nfs/dbraw/zinc/24/46/75/778244675.db2.gz KXUHJFIGQPEYPJ-WCQYABFASA-N 0 1 287.294 2.867 20 30 CFEDMN C=C(C)CN1CC[C@@H]1CN(C)C(=O)C(C)(C)C(=C)Cl ZINC001234555552 778251959 /nfs/dbraw/zinc/25/19/59/778251959.db2.gz WMZQOFDSEPGGPA-CYBMUJFWSA-N 0 1 284.831 2.874 20 30 CFEDMN C=CCN1CC[C@@H]1CN(C)C(=O)Cc1c(C)cccc1C ZINC001234613353 778265778 /nfs/dbraw/zinc/26/57/78/778265778.db2.gz GRUDESXJRCQGFJ-MRXNPFEDSA-N 0 1 286.419 2.565 20 30 CFEDMN C=CCN1CC[C@H](NC(=O)c2cccc(F)c2C)[C@H]1C ZINC001088583319 778303070 /nfs/dbraw/zinc/30/30/70/778303070.db2.gz MZNKSOZHUJVBPY-DOMZBBRYSA-N 0 1 276.355 2.513 20 30 CFEDMN N=C(Nc1cccc(C2=NCCC2)c1)c1nccs1 ZINC001168284220 778396106 /nfs/dbraw/zinc/39/61/06/778396106.db2.gz QVNCHWWDJGXYKC-UHFFFAOYSA-N 0 1 270.361 2.763 20 30 CFEDMN C=C(C)CN1CC[C@H](NC(=O)c2cc3cnccc3o2)[C@H]1C ZINC001088708131 778448698 /nfs/dbraw/zinc/44/86/98/778448698.db2.gz GXKBQZIUOQMGQU-OCCSQVGLSA-N 0 1 299.374 2.597 20 30 CFEDMN CC#CCN1CC[C@H](NC(=O)C2CCC3(CC3)CC2)[C@H]1C ZINC001088751513 778467852 /nfs/dbraw/zinc/46/78/52/778467852.db2.gz SCKTXIBPKKWHIV-ZBFHGGJFSA-N 0 1 288.435 2.559 20 30 CFEDMN C=CCN1CC[C@H](NC(=O)c2ccc(C)nc2C2CC2)[C@H]1C ZINC001088776765 778486838 /nfs/dbraw/zinc/48/68/38/778486838.db2.gz NYDNEPDWVLAQLI-CJNGLKHVSA-N 0 1 299.418 2.646 20 30 CFEDMN C=CCCC(=O)NCCCN(C)Cc1c(C)nsc1C ZINC001235435847 778490669 /nfs/dbraw/zinc/49/06/69/778490669.db2.gz ADKLUSURUPFLFV-UHFFFAOYSA-N 0 1 295.452 2.664 20 30 CFEDMN CC(C)N(C)CC(=O)Nc1c(C#N)oc2ccccc21 ZINC001142583023 778510364 /nfs/dbraw/zinc/51/03/64/778510364.db2.gz SGRCXLXHPPRNEV-UHFFFAOYSA-N 0 1 271.320 2.583 20 30 CFEDMN C=CC[C@@H](NC(=O)[C@@H]1CC2CCN1CC2)c1ccccc1 ZINC001142637179 778537726 /nfs/dbraw/zinc/53/77/26/778537726.db2.gz ATJGTFXKDJRQCV-SJORKVTESA-N 0 1 284.403 2.904 20 30 CFEDMN N#C[C@H]1CCCCN1Cc1nc2ccc(F)cc2[nH]1 ZINC001235697586 778542355 /nfs/dbraw/zinc/54/23/55/778542355.db2.gz RFKNQXBLOOBBOK-LLVKDONJSA-N 0 1 258.300 2.580 20 30 CFEDMN C#CCN(C)Cc1cccc(CNC(=O)OC(C)(C)C)c1 ZINC001235848082 778579183 /nfs/dbraw/zinc/57/91/83/778579183.db2.gz YEVOSXKDVNFYQO-UHFFFAOYSA-N 0 1 288.391 2.776 20 30 CFEDMN C=C(C)CCN1CC[C@@H]1CNC(=O)c1ccc(Cl)o1 ZINC001038065429 778592565 /nfs/dbraw/zinc/59/25/65/778592565.db2.gz TVKPPKVEXJLIII-LLVKDONJSA-N 0 1 282.771 2.703 20 30 CFEDMN Cc1cnc(-c2c(F)cc(F)c(O)c2F)c(/C=N/O)c1 ZINC001235991773 778643775 /nfs/dbraw/zinc/64/37/75/778643775.db2.gz XLLAVIKFIOOTIO-BLLMUTORSA-N 0 1 282.221 2.988 20 30 CFEDMN C=C1O[C@@H](CC)C(=O)C1OCCc1cccs1 ZINC001224785289 778682795 /nfs/dbraw/zinc/68/27/95/778682795.db2.gz FFHMFTWGQFDAOC-NSHDSACASA-N 0 1 252.335 2.917 20 30 CFEDMN C=C1CC(C)(C(=O)N[C@H]2CCN(Cc3cccnc3)[C@@H]2C)C1 ZINC001088840048 778706709 /nfs/dbraw/zinc/70/67/09/778706709.db2.gz SDPRDMYYLCADJA-ZBFHGGJFSA-N 0 1 299.418 2.517 20 30 CFEDMN CCCCCCCCC(=O)C(C#N)C(=O)NC1CC1 ZINC000129345510 778712932 /nfs/dbraw/zinc/71/29/32/778712932.db2.gz ULMWNJQVAPKPLF-ZDUSSCGKSA-N 0 1 264.369 2.724 20 30 CFEDMN C[C@@H]1CCN(Cc2ccc(C#N)c(Cl)c2)CC[C@H]1O ZINC001232112547 778899246 /nfs/dbraw/zinc/89/92/46/778899246.db2.gz XNVCAUHZSOIVJK-IAQYHMDHSA-N 0 1 278.783 2.804 20 30 CFEDMN N#Cc1ccc(CN2CC[C@@]3(CCCO3)C2)cc1Cl ZINC001232112529 778899419 /nfs/dbraw/zinc/89/94/19/778899419.db2.gz XCGDKZOGGQBYOZ-HNNXBMFYSA-N 0 1 276.767 2.967 20 30 CFEDMN C=C(C)CCN1CC(NC(=O)Cc2cccc(CC)c2)C1 ZINC001030544290 778906053 /nfs/dbraw/zinc/90/60/53/778906053.db2.gz HRVJMQVYSYLKHB-UHFFFAOYSA-N 0 1 286.419 2.558 20 30 CFEDMN N#CCC[C@@H](C#N)CNCc1ccnc2ccccc12 ZINC001120558299 778920610 /nfs/dbraw/zinc/92/06/10/778920610.db2.gz DTKGBFJYBYTPTN-ZDUSSCGKSA-N 0 1 264.332 2.768 20 30 CFEDMN COc1ccc(CN2CCCC[C@H]2C#N)c(O)c1Cl ZINC001236812260 778950114 /nfs/dbraw/zinc/95/01/14/778950114.db2.gz UJPDLUDEOUZDLX-NSHDSACASA-N 0 1 280.755 2.932 20 30 CFEDMN C=C(C)CN1CC[C@H](NC(=O)c2ncoc2C(C)C)[C@H]1C ZINC001088961867 778962437 /nfs/dbraw/zinc/96/24/37/778962437.db2.gz BCYNJJLWGPZTFK-OLZOCXBDSA-N 0 1 291.395 2.567 20 30 CFEDMN C=CCN1CC[C@H](NC(=O)c2oc(CC)cc2C)[C@H]1C ZINC001088979970 778965983 /nfs/dbraw/zinc/96/59/83/778965983.db2.gz PLPLBOBRLHCZLT-OCCSQVGLSA-N 0 1 276.380 2.529 20 30 CFEDMN CC#CCN1CC[C@H](NC(=O)c2coc3ccccc23)[C@H]1C ZINC001089075882 778989629 /nfs/dbraw/zinc/98/96/29/778989629.db2.gz YCWFEVZKHPQALF-CJNGLKHVSA-N 0 1 296.370 2.649 20 30 CFEDMN C=C(C)CCN1CC(NC(=O)C[C@@H]2CC[C@@H](C)C2)C1 ZINC001030808415 779033412 /nfs/dbraw/zinc/03/34/12/779033412.db2.gz WQFGMALZRNMADT-ZIAGYGMSSA-N 0 1 264.413 2.579 20 30 CFEDMN C=C(C)CCN1CC(NC(=O)C[C@H]2CC[C@@H](C)C2)C1 ZINC001030808410 779033490 /nfs/dbraw/zinc/03/34/90/779033490.db2.gz WQFGMALZRNMADT-KGLIPLIRSA-N 0 1 264.413 2.579 20 30 CFEDMN N#CC[C@H](Oc1n[nH]c(=O)cc1Cl)c1ccccc1 ZINC001233586431 779055574 /nfs/dbraw/zinc/05/55/74/779055574.db2.gz FVBZMMOJCNJMAJ-NSHDSACASA-N 0 1 275.695 2.869 20 30 CFEDMN C=C1CC(C)(C(=O)NC2CN(CCC3CCCC3)C2)C1 ZINC001030924079 779105003 /nfs/dbraw/zinc/10/50/03/779105003.db2.gz ITQWILIHPSIUEZ-UHFFFAOYSA-N 0 1 276.424 2.723 20 30 CFEDMN Cn1cc(CN2CC(C)(C)C2)c2cc(C#N)ccc21 ZINC001237467035 779115263 /nfs/dbraw/zinc/11/52/63/779115263.db2.gz QRPWBGVXVFSELA-UHFFFAOYSA-N 0 1 253.349 2.892 20 30 CFEDMN C=CCCCCCN(C)C(=O)c1ccc2n1CCN[C@@H]2C ZINC001121881805 779123173 /nfs/dbraw/zinc/12/31/73/779123173.db2.gz RMVAQDKPEPRHQE-CQSZACIVSA-N 0 1 289.423 2.971 20 30 CFEDMN Cc1cccc(C)c1NCC(=O)Nc1cc(C#N)ccc1O ZINC000176402926 779124718 /nfs/dbraw/zinc/12/47/18/779124718.db2.gz BHAOVXXVCORYHZ-UHFFFAOYSA-N 0 1 295.342 2.931 20 30 CFEDMN C[C@@H]1CN(Cc2cc(C#N)c(F)cc2F)CCC[C@]1(C)O ZINC001237524564 779126105 /nfs/dbraw/zinc/12/61/05/779126105.db2.gz KFAIGWYMFLJWMC-BZNIZROVSA-N 0 1 294.345 2.819 20 30 CFEDMN C[C@]1(CO)CCCN(Cc2cc(C#N)c(F)cc2F)CC1 ZINC001237524902 779127363 /nfs/dbraw/zinc/12/73/63/779127363.db2.gz NSIYNGNVUKXLGA-INIZCTEOSA-N 0 1 294.345 2.821 20 30 CFEDMN CCCCCCCCCCN1CC2(C1)COCC(=O)N2C ZINC001272482800 779128334 /nfs/dbraw/zinc/12/83/34/779128334.db2.gz XUIULBOCQDBPIO-UHFFFAOYSA-N 0 1 296.455 2.670 20 30 CFEDMN C=CC[N@@H+]1CC[C@@](C)(NC(=O)c2sc(C)cc2C)C1 ZINC001046348538 779156464 /nfs/dbraw/zinc/15/64/64/779156464.db2.gz NPAODYSAQSHHOB-OAHLLOKOSA-N 0 1 278.421 2.745 20 30 CFEDMN C=CCN1CC[C@@](C)(NC(=O)c2sc(C)cc2C)C1 ZINC001046348538 779156470 /nfs/dbraw/zinc/15/64/70/779156470.db2.gz NPAODYSAQSHHOB-OAHLLOKOSA-N 0 1 278.421 2.745 20 30 CFEDMN N#Cc1cc(Cl)cc(CN2CCC[C@](O)(CF)CC2)c1 ZINC001237747123 779173539 /nfs/dbraw/zinc/17/35/39/779173539.db2.gz RLKQNWNMORHBCB-OAHLLOKOSA-N 0 1 296.773 2.898 20 30 CFEDMN N#Cc1cc(Cl)cc(CN2C[C@H]3[C@H](CF)[C@H]3C2)c1 ZINC001237752980 779175879 /nfs/dbraw/zinc/17/58/79/779175879.db2.gz HGMRSYCUHSZFFV-ZSOGYDGISA-N 0 1 264.731 2.859 20 30 CFEDMN N#Cc1csc(C(=O)C(C#N)C(=O)Nc2ccccc2)c1 ZINC000176460187 779177397 /nfs/dbraw/zinc/17/73/97/779177397.db2.gz MSDLSAASVWNAOZ-GFCCVEGCSA-N 0 1 295.323 2.581 20 30 CFEDMN N#CCC1CN(Cc2ccccc2C2CCOCC2)C1 ZINC001237897426 779202191 /nfs/dbraw/zinc/20/21/91/779202191.db2.gz DSVJZRKRIKKFCV-UHFFFAOYSA-N 0 1 270.376 2.926 20 30 CFEDMN CC1=C(OCCCOc2ccccc2)C(=O)[C@H](C)O1 ZINC001205106846 779225727 /nfs/dbraw/zinc/22/57/27/779225727.db2.gz RBNOIYWZHMSVLK-NSHDSACASA-N 0 1 262.305 2.691 20 30 CFEDMN N#Cc1ccc(CN2CCCC[C@](O)(CF)C2)c(Cl)c1 ZINC001238080819 779248021 /nfs/dbraw/zinc/24/80/21/779248021.db2.gz ZUDNAKIUWKQPED-HNNXBMFYSA-N 0 1 296.773 2.898 20 30 CFEDMN C[C@@]1(C#N)CCN(Cc2cc(Cl)c(O)cc2F)C1 ZINC001238153391 779260344 /nfs/dbraw/zinc/26/03/44/779260344.db2.gz BQYZNCJQIMNMFO-ZDUSSCGKSA-N 0 1 268.719 2.920 20 30 CFEDMN N#Cc1cc(CN2CCC[C@H](CO)CC2)ccc1Cl ZINC001238189207 779273726 /nfs/dbraw/zinc/27/37/26/779273726.db2.gz OJAGSDANUSZFPG-LBPRGKRZSA-N 0 1 278.783 2.806 20 30 CFEDMN C[C@]1(O)CCCN(Cc2ccc(Cl)c(C#N)c2)C1 ZINC001238193923 779276434 /nfs/dbraw/zinc/27/64/34/779276434.db2.gz HSTFYSBGEPMFGE-AWEZNQCLSA-N 0 1 264.756 2.558 20 30 CFEDMN N#C[C@H]1CN(Cc2cccc(-c3cccs3)n2)CCC1=O ZINC001238220944 779284152 /nfs/dbraw/zinc/28/41/52/779284152.db2.gz UFUJOFUGDUZOIQ-LBPRGKRZSA-N 0 1 297.383 2.725 20 30 CFEDMN C=CCN1CC[C@@H]1CN(C)C(=O)C[C@@H]1CCC(F)(F)C1 ZINC001235142786 779318583 /nfs/dbraw/zinc/31/85/83/779318583.db2.gz QWBLYWFQMNPRIQ-QWHCGFSZSA-N 0 1 286.366 2.531 20 30 CFEDMN N#C[C@@H]1CN(Cc2ccc(F)c(C3CC3)c2)CCC1=O ZINC001238511839 779335537 /nfs/dbraw/zinc/33/55/37/779335537.db2.gz OZGBDRXNIUNOCD-CYBMUJFWSA-N 0 1 272.323 2.618 20 30 CFEDMN CC#CCN1CC[C@](C)(NC(=O)c2cc(C)cc(C)c2)C1 ZINC001046797218 779377418 /nfs/dbraw/zinc/37/74/18/779377418.db2.gz VYIHBAUVEBUBMK-SFHVURJKSA-N 0 1 284.403 2.521 20 30 CFEDMN CCc1cc(CN2CCC3SC(=O)C=C3C2)ccc1C#N ZINC001238760913 779384594 /nfs/dbraw/zinc/38/45/94/779384594.db2.gz QVEMEHNFCFWJSU-INIZCTEOSA-N 0 1 298.411 2.895 20 30 CFEDMN C=CCN1CC[C@@](C)(NC(=O)c2cc(CC)c(C)s2)C1 ZINC001046817574 779386933 /nfs/dbraw/zinc/38/69/33/779386933.db2.gz DSDNZFIFYOZYMP-MRXNPFEDSA-N 0 1 292.448 2.999 20 30 CFEDMN CCc1cc(CN2CCC[C@@H](n3cncn3)C2)ccc1C#N ZINC001238779602 779391462 /nfs/dbraw/zinc/39/14/62/779391462.db2.gz WXARJFICFWEAQJ-QGZVFWFLSA-N 0 1 295.390 2.549 20 30 CFEDMN C=C(C)C[N@H+]1CC[C@@](C)(NC(=O)c2ccc(CF)cc2)C1 ZINC001046866989 779399235 /nfs/dbraw/zinc/39/92/35/779399235.db2.gz QJMFSLCOPMCELH-QGZVFWFLSA-N 0 1 290.382 2.926 20 30 CFEDMN C=CCN1CC[C@@](C)(NC(=O)C23CC(C(C)(C)C)(C2)C3)C1 ZINC001046862650 779399356 /nfs/dbraw/zinc/39/93/56/779399356.db2.gz OMKXAKZYNXHNHV-WWDZGPRUSA-N 0 1 290.451 2.969 20 30 CFEDMN C=C[C@](C)(CC)C(=O)N1CCC2(C1)CCN(CCF)CC2 ZINC001040830154 779470300 /nfs/dbraw/zinc/47/03/00/779470300.db2.gz KUBFPTVLJVQHQU-MRXNPFEDSA-N 0 1 296.430 2.873 20 30 CFEDMN CC#CCN(C)C[C@@H]1CCCN1C(=O)[C@@H]1CCC(C)(C)C1 ZINC001281957647 779477854 /nfs/dbraw/zinc/47/78/54/779477854.db2.gz SQPVTOHNDFJGEG-CVEARBPZSA-N 0 1 290.451 2.759 20 30 CFEDMN CCCCCCCCOC(=O)N1CCNC2(CC2)C1 ZINC001239334231 779524146 /nfs/dbraw/zinc/52/41/46/779524146.db2.gz GKCLOPAHOJLWQM-UHFFFAOYSA-N 0 1 268.401 2.921 20 30 CFEDMN C=CCOC(=O)N1CCNC[C@H]1c1ccc(Cl)cc1 ZINC001239334298 779525613 /nfs/dbraw/zinc/52/56/13/779525613.db2.gz VLUPBTVIQZPOPT-ZDUSSCGKSA-N 0 1 280.755 2.609 20 30 CFEDMN C=C(C)CN1CC(CNC(=O)c2c(C)oc3ccccc32)C1 ZINC001031692890 779530519 /nfs/dbraw/zinc/53/05/19/779530519.db2.gz CEXKMTFDGJYYGY-UHFFFAOYSA-N 0 1 298.386 2.979 20 30 CFEDMN C=C(C)CN1CC(CNC(=O)c2cc(F)ccc2CC)C1 ZINC001031813134 779621362 /nfs/dbraw/zinc/62/13/62/779621362.db2.gz MMWFQGFAOZOJQT-UHFFFAOYSA-N 0 1 290.382 2.626 20 30 CFEDMN C=CCN1CC(CNC(=O)c2csc3ccccc23)C1 ZINC001031882731 779659868 /nfs/dbraw/zinc/65/98/68/779659868.db2.gz IMCBOXBQGUKXTE-UHFFFAOYSA-N 0 1 286.400 2.749 20 30 CFEDMN C=C(C)CN1CC(CNC(=O)c2ccc(CCC)cc2)C1 ZINC001031936787 779677844 /nfs/dbraw/zinc/67/78/44/779677844.db2.gz KRTNQFFMFMAKQW-UHFFFAOYSA-N 0 1 286.419 2.877 20 30 CFEDMN C=C(C)CN1CC(CNC(=O)c2c(F)ccc(C)c2F)C1 ZINC001031950320 779680749 /nfs/dbraw/zinc/68/07/49/779680749.db2.gz CJPWZOWREBNNBJ-UHFFFAOYSA-N 0 1 294.345 2.511 20 30 CFEDMN N#Cc1ccccc1CNCCNC(=O)CC1=CCCCC1 ZINC001124810458 779723039 /nfs/dbraw/zinc/72/30/39/779723039.db2.gz QEKHCHLPLRSANE-UHFFFAOYSA-N 0 1 297.402 2.655 20 30 CFEDMN C[C@H]1CN(Cc2ccc(Cl)c(C#N)c2)CC[C@]1(C)O ZINC001238188587 779760555 /nfs/dbraw/zinc/76/05/55/779760555.db2.gz FZNAMNFEMSQAOM-NHYWBVRUSA-N 0 1 278.783 2.804 20 30 CFEDMN N#Cc1cc(CN2CC[C@H]3OCC[C@H]3C2)ccc1Cl ZINC001238198558 779762415 /nfs/dbraw/zinc/76/24/15/779762415.db2.gz LLNFPTBRTMEQFC-SWLSCSKDSA-N 0 1 276.767 2.822 20 30 CFEDMN C=CCN1CC(CNC(=O)[C@H]2CCCCc3ccccc32)C1 ZINC001032211052 779766627 /nfs/dbraw/zinc/76/66/27/779766627.db2.gz YCSCDXVKKKOKIB-SFHVURJKSA-N 0 1 298.430 2.731 20 30 CFEDMN C#CCSCC(=O)Nc1ccc2nc(C(F)F)[nH]c2c1 ZINC001127721501 779807013 /nfs/dbraw/zinc/80/70/13/779807013.db2.gz DPOMOIJWIWGNTA-UHFFFAOYSA-N 0 1 295.314 2.805 20 30 CFEDMN COc1ccc([C@@H](C)[C@@H](C)NCCC#N)cc1OC ZINC000355129860 779845827 /nfs/dbraw/zinc/84/58/27/779845827.db2.gz IXXLQNRBHSBXLD-NWDGAFQWSA-N 0 1 262.353 2.699 20 30 CFEDMN N#Cc1c(F)cc(-c2nccc3[nH]cnc32)cc1F ZINC001239913576 779857525 /nfs/dbraw/zinc/85/75/25/779857525.db2.gz WKPODDVFWOMOGV-UHFFFAOYSA-N 0 1 256.215 2.775 20 30 CFEDMN N#Cc1c(F)cc(-c2[nH]ccc3ncnc2-3)cc1F ZINC001239913576 779857530 /nfs/dbraw/zinc/85/75/30/779857530.db2.gz WKPODDVFWOMOGV-UHFFFAOYSA-N 0 1 256.215 2.775 20 30 CFEDMN C=CCCCN1CCO[C@](C)(CNC(=O)/C(C)=C\CC)C1 ZINC001107784690 779897948 /nfs/dbraw/zinc/89/79/48/779897948.db2.gz YLTRJAOYZDJJSJ-BAPRJRNISA-N 0 1 294.439 2.516 20 30 CFEDMN C=C(C)CCN1C[C@@H]2C[C@H]1CN2C(=O)c1ccoc1Cl ZINC001032376915 779908826 /nfs/dbraw/zinc/90/88/26/779908826.db2.gz YJJAEKJBDRQSFM-RYUDHWBXSA-N 0 1 294.782 2.798 20 30 CFEDMN C=C(C)CCN1C[C@@H]2C[C@H]1CN2C(=O)c1ccoc1CC ZINC001032382881 779913822 /nfs/dbraw/zinc/91/38/22/779913822.db2.gz NRXCSMXGFSOLJI-KBPBESRZSA-N 0 1 288.391 2.707 20 30 CFEDMN C=C(C)c1cccc(C(C)(C)NC(=O)N2CCNC2)c1 ZINC001239307390 779919427 /nfs/dbraw/zinc/91/94/27/779919427.db2.gz RNCYFLJHWXIXKC-UHFFFAOYSA-N 0 1 273.380 2.527 20 30 CFEDMN C=C(C)CCN1CCO[C@@](C)(CNC(=O)C[C@H](C)CC)C1 ZINC001107901479 779934030 /nfs/dbraw/zinc/93/40/30/779934030.db2.gz QRPDMPVNWREKGZ-WBVHZDCISA-N 0 1 296.455 2.596 20 30 CFEDMN C=CCCN1CCO[C@@](C)(CNC(=O)[C@@H](C)CCCC)C1 ZINC001107911968 779936949 /nfs/dbraw/zinc/93/69/49/779936949.db2.gz CLIJJIYSMUPHKL-RDJZCZTQSA-N 0 1 296.455 2.596 20 30 CFEDMN C=C(C)CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@]1(C)CC=CCC1 ZINC001032420732 779949339 /nfs/dbraw/zinc/94/93/39/779949339.db2.gz ASLBGXQGVHRHSA-XYJFISCASA-N 0 1 288.435 2.984 20 30 CFEDMN C=C(C)CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@@]1(C)CC=CCC1 ZINC001032420731 779950068 /nfs/dbraw/zinc/95/00/68/779950068.db2.gz ASLBGXQGVHRHSA-BQFCYCMXSA-N 0 1 288.435 2.984 20 30 CFEDMN CC(=O)NCc1ccc(-c2nccc3[nH]cc(C#N)c32)cc1 ZINC001240146993 779968603 /nfs/dbraw/zinc/96/86/03/779968603.db2.gz BMHCQUPRHMIYAQ-UHFFFAOYSA-N 0 1 290.326 2.738 20 30 CFEDMN C=C(C)CN1CC[C@@]2(CCCN2Cc2cc(C)ccn2)C1=O ZINC001272783230 779996707 /nfs/dbraw/zinc/99/67/07/779996707.db2.gz QAIDVUDVCYYWTF-SFHVURJKSA-N 0 1 299.418 2.533 20 30 CFEDMN N#Cc1nc(-c2cccc(-n3cccn3)c2)cc2[nH]cnc21 ZINC001240245092 780025435 /nfs/dbraw/zinc/02/54/35/780025435.db2.gz IPYRITNELIOWTF-UHFFFAOYSA-N 0 1 286.298 2.682 20 30 CFEDMN C=CC(C)(C)C(=O)N1C[C@@H]2C[C@H]1CN2CC1CC(F)(F)C1 ZINC001032562079 780037646 /nfs/dbraw/zinc/03/76/46/780037646.db2.gz KDUBYPBZLIROSR-STQMWFEESA-N 0 1 298.377 2.529 20 30 CFEDMN C=CCCN1C[C@@H]2C[C@H]1CN2C(=O)C1(C)CCCCC1 ZINC001032603890 780066693 /nfs/dbraw/zinc/06/66/93/780066693.db2.gz NRECCSJHDUECHF-GJZGRUSLSA-N 0 1 276.424 2.818 20 30 CFEDMN C=C1CCC(C(=O)N2C[C@@H]3C[C@H]2CN3CC[C@H](C)F)CC1 ZINC001032605638 780067905 /nfs/dbraw/zinc/06/79/05/780067905.db2.gz DVRVKDLMBCUTFO-BPUTZDHNSA-N 0 1 294.414 2.766 20 30 CFEDMN C=CCCN1C[C@@H]2C[C@H]1CN2C(=O)c1ccc(C)cc1F ZINC001032646262 780112207 /nfs/dbraw/zinc/11/22/07/780112207.db2.gz GTQDVZAQWJTQQM-KBPBESRZSA-N 0 1 288.366 2.609 20 30 CFEDMN C=C(C)CN1C[C@@H]2C[C@H]1CN2C(=O)Cc1ccc(CC)cc1 ZINC001032654273 780116493 /nfs/dbraw/zinc/11/64/93/780116493.db2.gz UUBOZGTTYSUNFL-ROUUACIJSA-N 0 1 298.430 2.653 20 30 CFEDMN Cc1cnc(C2=CCCN(Cc3ccccc3)C2)c(C#N)n1 ZINC001240385919 780129287 /nfs/dbraw/zinc/12/92/87/780129287.db2.gz QQOAQEOAJDMLMK-UHFFFAOYSA-N 0 1 290.370 2.946 20 30 CFEDMN COc1ccc(F)c(F)c1-c1cc2nc[nH]c2c(C#N)n1 ZINC001240432368 780160868 /nfs/dbraw/zinc/16/08/68/780160868.db2.gz CSSYWFMBWOCVAV-UHFFFAOYSA-N 0 1 286.241 2.783 20 30 CFEDMN C=CCCN1C[C@@H]2C[C@H]1CN2C(=O)C(C)(C)C(C)(F)F ZINC001032755259 780182418 /nfs/dbraw/zinc/18/24/18/780182418.db2.gz QGWWOBUYJNGBHQ-RYUDHWBXSA-N 0 1 286.366 2.529 20 30 CFEDMN C=CC[C@H](N[C@H](C)c1ccc(=O)[nH]n1)c1ccncc1 ZINC001117112742 780364812 /nfs/dbraw/zinc/36/48/12/780364812.db2.gz OAAJZFDRXRQLPF-RISCZKNCSA-N 0 1 270.336 2.545 20 30 CFEDMN N#Cc1nc(-c2cccc3[nH]ccc32)cc2[nH]cnc21 ZINC001240709600 780380637 /nfs/dbraw/zinc/38/06/37/780380637.db2.gz XUWOMYJLUYMDNV-UHFFFAOYSA-N 0 1 259.272 2.978 20 30 CFEDMN N#Cc1cnc(CN[C@@H]2Cc3cccc(Cl)c3C2)s1 ZINC001168704420 780433398 /nfs/dbraw/zinc/43/33/98/780433398.db2.gz NBIUAHOUMJZYGW-SNVBAGLBSA-N 0 1 289.791 2.925 20 30 CFEDMN CN1CCN(c2ccc(-c3ccc(CC#N)nc3)cc2)CC1 ZINC001240851988 780477584 /nfs/dbraw/zinc/47/75/84/780477584.db2.gz HSSNMEVJSUAUQJ-UHFFFAOYSA-N 0 1 292.386 2.566 20 30 CFEDMN C=CCN1CC[C@H](N(C)C(=O)[C@@H]2CCCC3(CC3)C2)C1 ZINC001033075307 780555147 /nfs/dbraw/zinc/55/51/47/780555147.db2.gz FSUZDSVPZSPSNC-CABCVRRESA-N 0 1 276.424 2.676 20 30 CFEDMN C=CCN1CC[C@H](N(C)C(=O)c2csc(C)c2C)C1 ZINC001033107481 780566839 /nfs/dbraw/zinc/56/68/39/780566839.db2.gz MXERBEBELDQKAC-ZDUSSCGKSA-N 0 1 278.421 2.697 20 30 CFEDMN C=CCN1CC[C@@H](N(C)C(=O)[C@@H]2CCC=CCCC2)C1 ZINC001033180405 780606962 /nfs/dbraw/zinc/60/69/62/780606962.db2.gz CYGSODJZLQAODB-HZPDHXFCSA-N 0 1 276.424 2.842 20 30 CFEDMN C=CCN1CC[C@H](N(C)C(=O)[C@H]2CCC=CCCC2)C1 ZINC001033180403 780607620 /nfs/dbraw/zinc/60/76/20/780607620.db2.gz CYGSODJZLQAODB-HOTGVXAUSA-N 0 1 276.424 2.842 20 30 CFEDMN C=CCN1CC[C@H](N(C)C(=O)c2cc(C)sc2C)C1 ZINC001033238959 780626824 /nfs/dbraw/zinc/62/68/24/780626824.db2.gz UBPRSJOHFPVTFQ-ZDUSSCGKSA-N 0 1 278.421 2.697 20 30 CFEDMN C=CCN1CC[C@@H](N(C)C(=O)c2ccc(Cl)cc2F)C1 ZINC001033247923 780632446 /nfs/dbraw/zinc/63/24/46/780632446.db2.gz KGTWJWDSQIGIGC-GFCCVEGCSA-N 0 1 296.773 2.811 20 30 CFEDMN C=CCN1CC[C@@H](N(C)C(=O)[C@@H]2CCCCC2(F)F)C1 ZINC001033292979 780641805 /nfs/dbraw/zinc/64/18/05/780641805.db2.gz IPCVBBYBSWFTSN-OLZOCXBDSA-N 0 1 286.366 2.531 20 30 CFEDMN C=CCN1CC[C@@H](N(C)C(=O)c2cc3ccc(C)cc3[nH]2)C1 ZINC001033307525 780646989 /nfs/dbraw/zinc/64/69/89/780646989.db2.gz XPDTUCTWLLHOTN-OAHLLOKOSA-N 0 1 297.402 2.809 20 30 CFEDMN C=CCN1CC[C@@H](N(C)C(=O)C(C2CCC2)C2CCC2)C1 ZINC001033362783 780663498 /nfs/dbraw/zinc/66/34/98/780663498.db2.gz XIVRVJCWIBMJPH-MRXNPFEDSA-N 0 1 290.451 2.922 20 30 CFEDMN C=CCN1CC[C@H](N(C)C(=O)c2ccccc2CC)C1 ZINC001033362546 780664408 /nfs/dbraw/zinc/66/44/08/780664408.db2.gz MFPPKAMWVMEGQR-HNNXBMFYSA-N 0 1 272.392 2.581 20 30 CFEDMN C=CCN1CC[C@@H](N(C)C(=O)c2ccc(Cl)c(C)c2)C1 ZINC001033382167 780668964 /nfs/dbraw/zinc/66/89/64/780668964.db2.gz AGWKXARKSLMORF-CQSZACIVSA-N 0 1 292.810 2.981 20 30 CFEDMN C=CCN1CC[C@@H](N(C)C(=O)c2ccc3[nH]ccc3c2)C1 ZINC001033384462 780671645 /nfs/dbraw/zinc/67/16/45/780671645.db2.gz PEKFNEGIVWWBBP-OAHLLOKOSA-N 0 1 283.375 2.500 20 30 CFEDMN C=CCN1CC[C@@H](N(C)C(=O)[C@@H]2CCCC(F)(F)C2)C1 ZINC001033412852 780676627 /nfs/dbraw/zinc/67/66/27/780676627.db2.gz JKDMQJMYTJLVIY-CHWSQXEVSA-N 0 1 286.366 2.531 20 30 CFEDMN C=CCN1CC[C@H](N(C)C(=O)c2cc[nH]c2C2CCC2)C1 ZINC001033418786 780677315 /nfs/dbraw/zinc/67/73/15/780677315.db2.gz CTIQCCSZWVPCSX-AWEZNQCLSA-N 0 1 287.407 2.615 20 30 CFEDMN C=CC[N@@H+]1CC[C@H](N(C)C(=O)c2ccc3cc[nH]c3c2)C1 ZINC001033456691 780687619 /nfs/dbraw/zinc/68/76/19/780687619.db2.gz YEXJSQAOBNNKDD-HNNXBMFYSA-N 0 1 283.375 2.500 20 30 CFEDMN C=CCN1CC[C@H](N(C)C(=O)c2ccc3cc[nH]c3c2)C1 ZINC001033456691 780687621 /nfs/dbraw/zinc/68/76/21/780687621.db2.gz YEXJSQAOBNNKDD-HNNXBMFYSA-N 0 1 283.375 2.500 20 30 CFEDMN C#CCCN1CC[C@@H](N(C)C(=O)c2cc(Cl)cs2)C1 ZINC001033473124 780694003 /nfs/dbraw/zinc/69/40/03/780694003.db2.gz FQRVJKITAHQXBE-GFCCVEGCSA-N 0 1 296.823 2.571 20 30 CFEDMN C=CCN1CC[C@H](N(C)C(=O)[C@@H](C)c2ccccc2F)C1 ZINC001033512965 780699158 /nfs/dbraw/zinc/69/91/58/780699158.db2.gz NNBSWRBVNVLCSX-KBPBESRZSA-N 0 1 290.382 2.648 20 30 CFEDMN C=CC[N@@H+]1CC[C@H](N(C)C(=O)C[C@@H]2CCc3ccccc32)C1 ZINC001033519836 780702367 /nfs/dbraw/zinc/70/23/67/780702367.db2.gz WYSFIVIGYDMYID-IRXDYDNUSA-N 0 1 298.430 2.825 20 30 CFEDMN CC#CCN1CC[C@H](N(C)C(=O)c2cccc(C(C)C)c2)C1 ZINC001033559080 780712546 /nfs/dbraw/zinc/71/25/46/780712546.db2.gz PFKHFURYOTZZQT-SFHVURJKSA-N 0 1 298.430 2.980 20 30 CFEDMN C=CCN1CC[C@@H](N(C)C(=O)c2cc3sccc3[nH]2)C1 ZINC001033552492 780712701 /nfs/dbraw/zinc/71/27/01/780712701.db2.gz DHDXUIXZGZOYCS-LLVKDONJSA-N 0 1 289.404 2.562 20 30 CFEDMN C=CCN1CC[C@@H](N(C)C(=O)c2cc(C)cc(C)c2)C1 ZINC001033612014 780729963 /nfs/dbraw/zinc/72/99/63/780729963.db2.gz BKLJKGRBTTWZGV-MRXNPFEDSA-N 0 1 272.392 2.636 20 30 CFEDMN C=CCN1CC[C@@H](N(C)C(=O)c2ccc(C(F)F)o2)C1 ZINC001033621566 780732246 /nfs/dbraw/zinc/73/22/46/780732246.db2.gz AKKBNNRWSDSAFW-SNVBAGLBSA-N 0 1 284.306 2.550 20 30 CFEDMN C#CCN1CC[C@@H](N(C)C(=O)c2cccc3ccccc32)C1 ZINC001033628149 780737102 /nfs/dbraw/zinc/73/71/02/780737102.db2.gz MBWGQHGTZYCPGR-MRXNPFEDSA-N 0 1 292.382 2.619 20 30 CFEDMN C#CCN1CC[C@H](N(C)C(=O)c2cccc3ccccc32)C1 ZINC001033628147 780737886 /nfs/dbraw/zinc/73/78/86/780737886.db2.gz MBWGQHGTZYCPGR-INIZCTEOSA-N 0 1 292.382 2.619 20 30 CFEDMN CC#CCN1CC[C@H](N(C)C(=O)c2c(C)cc(C)cc2C)C1 ZINC001033642553 780739977 /nfs/dbraw/zinc/73/99/77/780739977.db2.gz QDEPHLJVDROEOI-KRWDZBQOSA-N 0 1 298.430 2.781 20 30 CFEDMN C=CCN1CC[C@@H](N(C)C(=O)[C@@H]2CCCCC2(C)C)C1 ZINC001033690379 780754411 /nfs/dbraw/zinc/75/44/11/780754411.db2.gz JAVAPUKFLLOXQF-CABCVRRESA-N 0 1 278.440 2.922 20 30 CFEDMN C=CCc1ccnc(C2=CCN(C)CC2)c1C(OC)OC ZINC001241310881 780771951 /nfs/dbraw/zinc/77/19/51/780771951.db2.gz NJGCZHFKOKSFJJ-UHFFFAOYSA-N 0 1 288.391 2.820 20 30 CFEDMN CN1CC=C(c2cc(C#N)cc(C(F)(F)F)n2)CC1 ZINC001241310697 780772907 /nfs/dbraw/zinc/77/29/07/780772907.db2.gz JVQSFGXVSBSTNT-UHFFFAOYSA-N 0 1 267.254 2.691 20 30 CFEDMN C=CC[N@@H+]1CC[C@@H](N(CC)C(=O)c2cc(C)oc2C)C1 ZINC001033751131 780777399 /nfs/dbraw/zinc/77/73/99/780777399.db2.gz ZFNJAVICEPGEEQ-CQSZACIVSA-N 0 1 276.380 2.619 20 30 CFEDMN C=CCN1CC[C@@H](N(CC)C(=O)c2cc(C)oc2C)C1 ZINC001033751131 780777406 /nfs/dbraw/zinc/77/74/06/780777406.db2.gz ZFNJAVICEPGEEQ-CQSZACIVSA-N 0 1 276.380 2.619 20 30 CFEDMN C=CCN1CC[C@H](N(CC)C(=O)c2cc[nH]c2CCC)C1 ZINC001033931594 780829025 /nfs/dbraw/zinc/82/90/25/780829025.db2.gz NQVKXJYNSXPNHA-AWEZNQCLSA-N 0 1 289.423 2.690 20 30 CFEDMN C=CCN1CC[C@H](N(CC)C(=O)c2occc2Cl)C1 ZINC001033944114 780838232 /nfs/dbraw/zinc/83/82/32/780838232.db2.gz DKRJDQQAKBNYAE-NSHDSACASA-N 0 1 282.771 2.655 20 30 CFEDMN COc1cc(C#N)ccc1-c1cncc2[nH]c(C)nc21 ZINC001241408643 780854911 /nfs/dbraw/zinc/85/49/11/780854911.db2.gz YJNFIZUMKIWXPL-UHFFFAOYSA-N 0 1 264.288 2.814 20 30 CFEDMN COc1cc(C#N)ccc1-c1c[nH]cc2nc(C)nc1-2 ZINC001241408643 780854914 /nfs/dbraw/zinc/85/49/14/780854914.db2.gz YJNFIZUMKIWXPL-UHFFFAOYSA-N 0 1 264.288 2.814 20 30 CFEDMN C#CCN1CC[C@@H](N(CC)C(=O)c2cccc(C(C)C)c2)C1 ZINC001034006706 780857071 /nfs/dbraw/zinc/85/70/71/780857071.db2.gz CVRXAUQGNRILHO-GOSISDBHSA-N 0 1 298.430 2.980 20 30 CFEDMN CC#CCN1CC[C@H](N(CC)C(=O)c2cccc(C)c2C)C1 ZINC001034030186 780858725 /nfs/dbraw/zinc/85/87/25/780858725.db2.gz XIJCCQKBYIAIBC-KRWDZBQOSA-N 0 1 298.430 2.863 20 30 CFEDMN C/C(=N\O)c1ccc(-c2ccc(-c3nn[nH]n3)cc2)cc1 ZINC001241446387 780900465 /nfs/dbraw/zinc/90/04/65/780900465.db2.gz FEOPKYGOZUJJKS-VCHYOVAHSA-N 0 1 279.303 2.732 20 30 CFEDMN CC#CCN1CCCC[C@@H](NC(=O)C=C2CCCCC2)C1 ZINC001034126959 780901495 /nfs/dbraw/zinc/90/14/95/780901495.db2.gz GDNYZPMMIGBHNM-QGZVFWFLSA-N 0 1 288.435 2.871 20 30 CFEDMN C#CCN1CCCC[C@H](NC(=O)C2CCCCCC2)C1 ZINC001034143461 780906549 /nfs/dbraw/zinc/90/65/49/780906549.db2.gz XVBYDTHJPDOCOK-INIZCTEOSA-N 0 1 276.424 2.561 20 30 CFEDMN C=CCN1CCCC[C@@H](NC(=O)c2cscc2C)C1 ZINC001034165239 780914197 /nfs/dbraw/zinc/91/41/97/780914197.db2.gz VTSYQCGIDUJTMN-CYBMUJFWSA-N 0 1 278.421 2.827 20 30 CFEDMN C#CCN1CCCC[C@@H](NC(=O)[C@H]2CCC=CCCC2)C1 ZINC001034266067 780935731 /nfs/dbraw/zinc/93/57/31/780935731.db2.gz NDEVPOQPUCIERU-DLBZAZTESA-N 0 1 288.435 2.727 20 30 CFEDMN CC#CCN1CCCC[C@H](NC(=O)Cc2ccc(C)cc2)C1 ZINC001034299032 780940716 /nfs/dbraw/zinc/94/07/16/780940716.db2.gz ZXOVTIRENVBCAP-SFHVURJKSA-N 0 1 298.430 2.532 20 30 CFEDMN C#CCN1CCCC[C@@H](NC(=O)c2cc(C)sc2C)C1 ZINC001034301515 780942362 /nfs/dbraw/zinc/94/23/62/780942362.db2.gz MRCUWMATDKEHLJ-CQSZACIVSA-N 0 1 290.432 2.582 20 30 CFEDMN C#CCN1CCCC[C@@H](NC(=O)C2CCC3(CC3)CC2)C1 ZINC001034316384 780944561 /nfs/dbraw/zinc/94/45/61/780944561.db2.gz USFOACFZBMXXBL-MRXNPFEDSA-N 0 1 288.435 2.561 20 30 CFEDMN CC#CCN1CCCC[C@H](NC(=O)C2(C3CC3)CCC2)C1 ZINC001034331603 780947643 /nfs/dbraw/zinc/94/76/43/780947643.db2.gz RPIVRSBWFZOZHA-INIZCTEOSA-N 0 1 288.435 2.561 20 30 CFEDMN C=C(C)C[N@H+]1CCCC[C@H](NC(=O)C2(C)CC=CC2)C1 ZINC001034376230 780961689 /nfs/dbraw/zinc/96/16/89/780961689.db2.gz KXHIYAYGIKZEDS-HNNXBMFYSA-N 0 1 276.424 2.890 20 30 CFEDMN CC#CCN1CCCC[C@H](NC(=O)[C@@H](C)C2CCCC2)C1 ZINC001034480512 780982393 /nfs/dbraw/zinc/98/23/93/780982393.db2.gz LEPCKVCMCKIQBN-RDJZCZTQSA-N 0 1 290.451 2.807 20 30 CFEDMN CC#CCN1CCCC[C@@H](NC(=O)[C@H](C)C2CCCC2)C1 ZINC001034480511 780982538 /nfs/dbraw/zinc/98/25/38/780982538.db2.gz LEPCKVCMCKIQBN-NVXWUHKLSA-N 0 1 290.451 2.807 20 30 CFEDMN CN1CCC=C(c2nc(-c3ccncc3)ccc2C#N)C1 ZINC001241567281 780982635 /nfs/dbraw/zinc/98/26/35/780982635.db2.gz UFWHOXLIPDXJCE-UHFFFAOYSA-N 0 1 276.343 2.734 20 30 CFEDMN CN1CCC=C(c2ncc(C#N)c3ccsc32)C1 ZINC001241569387 780984358 /nfs/dbraw/zinc/98/43/58/780984358.db2.gz WYLLVGITLFGYJH-UHFFFAOYSA-N 0 1 255.346 2.887 20 30 CFEDMN C#CCN1CCCC[C@@H](NC(=O)c2cc(C)cc(C)c2)C1 ZINC001034504674 780987426 /nfs/dbraw/zinc/98/74/26/780987426.db2.gz BYGYPJVHCZOSBX-QGZVFWFLSA-N 0 1 284.403 2.521 20 30 CFEDMN C=CCN1CCCC[C@@H](NC(=O)c2c(C)cccc2F)C1 ZINC001034550913 780994465 /nfs/dbraw/zinc/99/44/65/780994465.db2.gz CBOUXXPDAAINEI-CQSZACIVSA-N 0 1 290.382 2.904 20 30 CFEDMN C#CCN1CCCC[C@H](NC(=O)[C@H]2CCCC(C)(C)C2)C1 ZINC001034546870 780997351 /nfs/dbraw/zinc/99/73/51/780997351.db2.gz MWMFVSHNNLFCCG-HOTGVXAUSA-N 0 1 290.451 2.807 20 30 CFEDMN Cc1[nH]nc2cc(-c3ncc(C#N)cc3C#N)ccc12 ZINC001241636571 781034735 /nfs/dbraw/zinc/03/47/35/781034735.db2.gz JTQFERKILLAORJ-UHFFFAOYSA-N 0 1 259.272 2.677 20 30 CFEDMN C=CC[C@H]1CC[N@H+](Cc2ccccc2CC(=O)[O-])C1 ZINC000703688661 781048401 /nfs/dbraw/zinc/04/84/01/781048401.db2.gz PAOIHLQLXBPOLT-ZDUSSCGKSA-N 0 1 259.349 2.712 20 30 CFEDMN CCc1nc(C#N)c(C#N)nc1-c1ccc2n[nH]c(C)c2c1 ZINC001241669743 781063727 /nfs/dbraw/zinc/06/37/27/781063727.db2.gz ZJAXZWWSDHAZBA-UHFFFAOYSA-N 0 1 288.314 2.634 20 30 CFEDMN COc1cc(-c2ccc3[nH]cnc3c2)ncc1C#N ZINC001241681163 781069808 /nfs/dbraw/zinc/06/98/08/781069808.db2.gz QUGXHUOXNGOYBR-UHFFFAOYSA-N 0 1 250.261 2.505 20 30 CFEDMN N#Cc1cc2c(nc1-c1ccc3[nH]cnc3c1)CCOC2 ZINC001241692626 781076488 /nfs/dbraw/zinc/07/64/88/781076488.db2.gz PCZJHGDIHXVDEX-UHFFFAOYSA-N 0 1 276.299 2.569 20 30 CFEDMN COC(=O)c1cc(C#N)cc(-c2ccc3nc[nH]c3c2)c1 ZINC001241697927 781079838 /nfs/dbraw/zinc/07/98/38/781079838.db2.gz PCQSCFSBWJNJKG-UHFFFAOYSA-N 0 1 277.283 2.888 20 30 CFEDMN COC(=O)c1ccc2[nH]cc(CN3CCC(C#N)CC3)c2c1 ZINC001143226812 781093286 /nfs/dbraw/zinc/09/32/86/781093286.db2.gz LJBXMOIKXRJRFG-UHFFFAOYSA-N 0 1 297.358 2.690 20 30 CFEDMN COc1ccc(CNCc2cccnc2C)cc1C#N ZINC000705590001 781141745 /nfs/dbraw/zinc/14/17/45/781141745.db2.gz NZXHOAUWSANOPT-UHFFFAOYSA-N 0 1 267.332 2.560 20 30 CFEDMN C=CCN1CC2(C1)CCN(C(=O)c1ccsc1C)CC2 ZINC001035700221 781160112 /nfs/dbraw/zinc/16/01/12/781160112.db2.gz AUUSBBAGONHRNF-UHFFFAOYSA-N 0 1 290.432 2.781 20 30 CFEDMN C=CCN1CC2(C1)CCN(C(=O)[C@@H]1CCC[C@H](F)C1)CC2 ZINC001035707707 781160342 /nfs/dbraw/zinc/16/03/42/781160342.db2.gz QMZMDTQELFYHNI-CABCVRRESA-N 0 1 294.414 2.625 20 30 CFEDMN C=CCN1CC2(C1)CCN(C(=O)[C@H]1CCCC13CC3)CC2 ZINC001035732306 781161690 /nfs/dbraw/zinc/16/16/90/781161690.db2.gz YJOVUONDBOESER-OAHLLOKOSA-N 0 1 288.435 2.677 20 30 CFEDMN C=CCN1CC2(C1)CCN(C(=O)[C@H]1CCCC[C@H]1C)CC2 ZINC001035781261 781168118 /nfs/dbraw/zinc/16/81/18/781168118.db2.gz ORBNBJBFKMRARJ-CVEARBPZSA-N 0 1 290.451 2.923 20 30 CFEDMN C=CCN1CC2(C1)CCN(C(=O)[C@H]1CCC[C@@H]1CC)CC2 ZINC001035786843 781168662 /nfs/dbraw/zinc/16/86/62/781168662.db2.gz FSMBQXLJBLTHGQ-HOTGVXAUSA-N 0 1 290.451 2.923 20 30 CFEDMN C=C[C@](C)(CC)C(=O)N1CCC2(CN(CC#CC)C2)CC1 ZINC001035785153 781168904 /nfs/dbraw/zinc/16/89/04/781168904.db2.gz OPSJIGNGQVFFCR-QGZVFWFLSA-N 0 1 288.435 2.536 20 30 CFEDMN C=CCN1CC2(C1)CCN(C(=O)C1(CC)CCC1)CC2 ZINC001035775715 781170937 /nfs/dbraw/zinc/17/09/37/781170937.db2.gz XSMFFKQJGXTMTH-UHFFFAOYSA-N 0 1 276.424 2.677 20 30 CFEDMN C#CCN1CC2(C1)CCN(C(=O)C(CC)(CC)CC)CC2 ZINC001035830040 781175410 /nfs/dbraw/zinc/17/54/10/781175410.db2.gz YZDIEWZOEZWIOV-UHFFFAOYSA-N 0 1 290.451 2.760 20 30 CFEDMN C=CCN1CC2(C1)CCN(C(=O)CCc1ccccc1)CC2 ZINC001035840608 781176952 /nfs/dbraw/zinc/17/69/52/781176952.db2.gz OVVQYHANJCSDPT-UHFFFAOYSA-N 0 1 298.430 2.730 20 30 CFEDMN Cc1cc(-c2cc3[nH]cnc3c(C#N)n2)ccc1N(C)C ZINC001242237616 781340097 /nfs/dbraw/zinc/34/00/97/781340097.db2.gz NNLGEZCGVFXLMJ-UHFFFAOYSA-N 0 1 277.331 2.871 20 30 CFEDMN C#Cc1ccc(-c2nc3nc[nH]c3c(C(F)(F)F)n2)cc1 ZINC001242293283 781372765 /nfs/dbraw/zinc/37/27/65/781372765.db2.gz DDGSUQZPHJSELW-UHFFFAOYSA-N 0 1 288.232 2.972 20 30 CFEDMN COc1ccc(-c2cccc(F)c2O)nc1CC#N ZINC001242350104 781422747 /nfs/dbraw/zinc/42/27/47/781422747.db2.gz HVNAOEXROURIKQ-UHFFFAOYSA-N 0 1 258.252 2.668 20 30 CFEDMN C=C(Cl)CN1CC[C@H]2CN(C(=O)C=C3CCC3)CC[C@H]21 ZINC001036688838 781425286 /nfs/dbraw/zinc/42/52/86/781425286.db2.gz YRZYKJYQHRTPIR-LSDHHAIUSA-N 0 1 294.826 2.772 20 30 CFEDMN COc1cc(-c2nccc3[nH]cc(C#N)c32)c(OC)cn1 ZINC001242426056 781490446 /nfs/dbraw/zinc/49/04/46/781490446.db2.gz YEUQGGJOXOIWKF-UHFFFAOYSA-N 0 1 280.287 2.514 20 30 CFEDMN Cc1cc(C#N)ccc1-c1cc2[nH]cnc2c(C#N)n1 ZINC001242470030 781525826 /nfs/dbraw/zinc/52/58/26/781525826.db2.gz CHTWROLDKWTAOR-UHFFFAOYSA-N 0 1 259.272 2.677 20 30 CFEDMN Cc1cc(C#N)ccc1-c1cccc(N2CCN(C)CC2)n1 ZINC001242469649 781525925 /nfs/dbraw/zinc/52/59/25/781525925.db2.gz JBTGPHVHTFJGJP-UHFFFAOYSA-N 0 1 292.386 2.681 20 30 CFEDMN CC(=O)C=C(C)Nc1cc(Br)ccn1 ZINC001163737735 781564351 /nfs/dbraw/zinc/56/43/51/781564351.db2.gz HEJLETJJYIVJRA-ALCCZGGFSA-N 0 1 255.115 2.749 20 30 CFEDMN CCOC(=O)c1cccc([N+](=O)[O-])c1NC(C)=CC(C)=O ZINC001163739588 781564506 /nfs/dbraw/zinc/56/45/06/781564506.db2.gz UISVJMIRDTXQOH-HJWRWDBZSA-N 0 1 292.291 2.676 20 30 CFEDMN CC(=O)CC(C)=Nc1ncccc1C1CCOCC1 ZINC001163738157 781564767 /nfs/dbraw/zinc/56/47/67/781564767.db2.gz RSVFGBXINWGGCI-KHPPLWFESA-N 0 1 260.337 2.880 20 30 CFEDMN Cc1cc(NC2CC2)nc(-c2ccc(O)c(C#N)c2)n1 ZINC001242562157 781599699 /nfs/dbraw/zinc/59/96/99/781599699.db2.gz JAHLMAPETBPRHY-UHFFFAOYSA-N 0 1 266.304 2.604 20 30 CFEDMN N#Cc1cc(-c2nccc(NCC3CC3)n2)ccc1O ZINC001242562423 781600557 /nfs/dbraw/zinc/60/05/57/781600557.db2.gz XQZYFWKZRMZONR-UHFFFAOYSA-N 0 1 266.304 2.543 20 30 CFEDMN C=CCN1C[C@@H](C)[C@H](NC(=O)c2c(C)cc(F)cc2C)C1 ZINC001080247701 781643457 /nfs/dbraw/zinc/64/34/57/781643457.db2.gz MXXIMMMONLLIFO-UKRRQHHQSA-N 0 1 290.382 2.679 20 30 CFEDMN C=CCN1C[C@@H](C)[C@H](NC(=O)c2ccccc2C2(C)CC2)C1 ZINC001080427966 781658623 /nfs/dbraw/zinc/65/86/23/781658623.db2.gz IJIMDQBARKZRCK-RHSMWYFYSA-N 0 1 298.430 2.974 20 30 CFEDMN C=CCN1C[C@@H](C)[C@H](NC(=O)c2ccc(Cl)c(F)c2)C1 ZINC001080499129 781663396 /nfs/dbraw/zinc/66/33/96/781663396.db2.gz IXACZZKWNKBKNS-QMTHXVAHSA-N 0 1 296.773 2.715 20 30 CFEDMN C=CCN1C[C@@H](C)[C@H](NC(=O)c2c(F)cccc2Cl)C1 ZINC001080829691 781681559 /nfs/dbraw/zinc/68/15/59/781681559.db2.gz NVOFEVMWJLECHM-ZWNOBZJWSA-N 0 1 296.773 2.715 20 30 CFEDMN C=CCN1C[C@@H](C)[C@H](NC(=O)c2coc3ccccc23)C1 ZINC001081039139 781694584 /nfs/dbraw/zinc/69/45/84/781694584.db2.gz FECFVIRAKXSYLG-IUODEOHRSA-N 0 1 284.359 2.669 20 30 CFEDMN C=C(Cl)CN[C@@H]1CN(C(=O)[C@@H]2CC=CCC2)C[C@H]1C ZINC001082421362 781727045 /nfs/dbraw/zinc/72/70/45/781727045.db2.gz XMFRKDZVVNOBPF-MRVWCRGKSA-N 0 1 282.815 2.532 20 30 CFEDMN C=CCO[C@H]1CCN(c2ccncc2C(F)(F)F)C1 ZINC001118926476 781731816 /nfs/dbraw/zinc/73/18/16/781731816.db2.gz NAQMIGRIFZXEFB-JTQLQIEISA-N 0 1 272.270 2.882 20 30 CFEDMN C=C(Cl)CN[C@@H]1CN(C(=O)C[C@H](C)C2CC2)C[C@H]1C ZINC001082946138 781753304 /nfs/dbraw/zinc/75/33/04/781753304.db2.gz UBILCRQAKSGTOH-MISXGVKJSA-N 0 1 284.831 2.612 20 30 CFEDMN C=C(C)CN1CC[C@@H]2CN(C(=O)[C@]3(C)CC=CCC3)[C@@H]2C1 ZINC001084368531 781790559 /nfs/dbraw/zinc/79/05/59/781790559.db2.gz FYPOCHMFNIWIBP-JFIYKMOQSA-N 0 1 288.435 2.842 20 30 CFEDMN C=CCN1CC[C@@H]2CN(C(=O)Cc3c(C)cccc3C)[C@@H]2C1 ZINC001084378949 781792256 /nfs/dbraw/zinc/79/22/56/781792256.db2.gz OEZDLOXYDHEDFU-SJLPKXTDSA-N 0 1 298.430 2.565 20 30 CFEDMN C=CCN1CC[C@@H]2CN(C(=O)CCc3ccc(C)cc3)[C@@H]2C1 ZINC001084503433 781799004 /nfs/dbraw/zinc/79/90/04/781799004.db2.gz BRQKSYZGPHKRNV-QZTJIDSGSA-N 0 1 298.430 2.646 20 30 CFEDMN C=C(C)CN1CC[C@@H]2CN(C(=O)C3(C)CC(F)(F)C3)[C@@H]2C1 ZINC001084768525 781831933 /nfs/dbraw/zinc/83/19/33/781831933.db2.gz QGFWGASFTXUSEB-CHWSQXEVSA-N 0 1 298.377 2.531 20 30 CFEDMN C=CC[N@@H+]1CC[C@@H]2CN(C(=O)[C@H](C)c3ccccc3)[C@@H]2C1 ZINC001084784289 781835286 /nfs/dbraw/zinc/83/52/86/781835286.db2.gz JESGHLPDSCLGES-DJIMGWMZSA-N 0 1 284.403 2.509 20 30 CFEDMN C=CCN1CC[C@@H]2CN(C(=O)[C@H](C)c3ccccc3)[C@@H]2C1 ZINC001084784289 781835293 /nfs/dbraw/zinc/83/52/93/781835293.db2.gz JESGHLPDSCLGES-DJIMGWMZSA-N 0 1 284.403 2.509 20 30 CFEDMN CC[C@H]([NH2+]C[C@@H]1CCN(C2CC2)C1)c1cccc(C#N)c1[O-] ZINC000822658690 781906102 /nfs/dbraw/zinc/90/61/02/781906102.db2.gz QGOSUIWHDLKOIV-GUYCJALGSA-N 0 1 299.418 2.789 20 30 CFEDMN N#Cc1ccc(CNC[C@@H]2CCC3(CCCC3)O2)o1 ZINC000594524313 349441711 /nfs/dbraw/zinc/44/17/11/349441711.db2.gz YFXASKNXJHZEIJ-AWEZNQCLSA-N 0 1 260.337 2.733 20 30 CFEDMN N#Cc1csc(CNC[C@@H]2CCC3(CCCC3)O2)n1 ZINC000594523318 349441882 /nfs/dbraw/zinc/44/18/82/349441882.db2.gz PSGYWMADJGZMIL-LBPRGKRZSA-N 0 1 277.393 2.596 20 30 CFEDMN N#CC1(Cc2nc([C@@H]3CCCN3)no2)CCCCC1 ZINC000594685308 349474084 /nfs/dbraw/zinc/47/40/84/349474084.db2.gz ULULHBHJSOTIAK-NSHDSACASA-N 0 1 260.341 2.511 20 30 CFEDMN COc1ncccc1CNCc1ccc(C2(C#N)CC2)cc1 ZINC000594914012 349503856 /nfs/dbraw/zinc/50/38/56/349503856.db2.gz BAKGJJIJDCHRPW-UHFFFAOYSA-N 0 1 293.370 2.935 20 30 CFEDMN N#Cc1ccc2c(c1)CC[C@@H]2NCc1ccnn1CC1CC1 ZINC000594937386 349518549 /nfs/dbraw/zinc/51/85/49/349518549.db2.gz INLUTUUBWZGWCY-SFHVURJKSA-N 0 1 292.386 2.942 20 30 CFEDMN N#Cc1ccc(CNCc2cnn3c2CCC3)cc1Cl ZINC000594940090 349520063 /nfs/dbraw/zinc/52/00/63/349520063.db2.gz GTZWAXJQWASNLC-UHFFFAOYSA-N 0 1 286.766 2.644 20 30 CFEDMN N#CCC1(CNCc2ccc(F)c(F)c2F)CC1 ZINC000594938091 349519113 /nfs/dbraw/zinc/51/91/13/349519113.db2.gz SDXVTDKMCCSSQO-UHFFFAOYSA-N 0 1 254.255 2.887 20 30 CFEDMN N#CCCCNCc1cccc(F)c1OC(F)F ZINC000594943741 349522463 /nfs/dbraw/zinc/52/24/63/349522463.db2.gz PGNCHJUYIRFURW-UHFFFAOYSA-N 0 1 258.243 2.820 20 30 CFEDMN N#Cc1ccc(C2(NCc3cnn4c3CCC4)CCC2)cc1 ZINC000594948864 349525179 /nfs/dbraw/zinc/52/51/79/349525179.db2.gz COSDTRQCVDWEJS-UHFFFAOYSA-N 0 1 292.386 2.870 20 30 CFEDMN N#Cc1cccc(OCCN(Cc2ccncc2)C2CC2)c1 ZINC000124857927 187157738 /nfs/dbraw/zinc/15/77/38/187157738.db2.gz GWCSCCBMRXRCJH-UHFFFAOYSA-N 0 1 293.370 2.997 20 30 CFEDMN C=CCCSCCNCc1ncc(COC)s1 ZINC000594959751 349530493 /nfs/dbraw/zinc/53/04/93/349530493.db2.gz BSCGLNIMVATDOU-UHFFFAOYSA-N 0 1 272.439 2.688 20 30 CFEDMN N#Cc1cccnc1N1CCN(CCCC2CCC2)CC1 ZINC000595289970 349592419 /nfs/dbraw/zinc/59/24/19/349592419.db2.gz RWPLFBUSSPMNTN-UHFFFAOYSA-N 0 1 284.407 2.656 20 30 CFEDMN CC[C@@H](CC(F)F)CN1CCN([C@@H](C#N)C(C)C)CC1 ZINC000595396014 349616327 /nfs/dbraw/zinc/61/63/27/349616327.db2.gz BLJCRLTVDNPRRC-KBPBESRZSA-N 0 1 287.398 2.834 20 30 CFEDMN CC[C@]1(C)CN(CCc2ccc(C#N)cc2)CCO1 ZINC000595457152 349632675 /nfs/dbraw/zinc/63/26/75/349632675.db2.gz AJFIBGUQOCRQPK-MRXNPFEDSA-N 0 1 258.365 2.602 20 30 CFEDMN C[C@@H](C(=O)Nc1cccc(C#N)c1)[N@H+]1C[C@@H]2CCCC[C@@H]21 ZINC000595567533 349662373 /nfs/dbraw/zinc/66/23/73/349662373.db2.gz RJOIFRMFAXMJFJ-NOLJZWGESA-N 0 1 283.375 2.760 20 30 CFEDMN C[C@@H](C(=O)Nc1cccc(C#N)c1)N1C[C@@H]2CCCC[C@@H]21 ZINC000595567533 349662376 /nfs/dbraw/zinc/66/23/76/349662376.db2.gz RJOIFRMFAXMJFJ-NOLJZWGESA-N 0 1 283.375 2.760 20 30 CFEDMN C[C@@H](C(=O)N(C)C1CCCCC1)N1CCC[C@@H](CC#N)C1 ZINC000595609766 349674666 /nfs/dbraw/zinc/67/46/66/349674666.db2.gz OVNJHBYTSOKSIH-GJZGRUSLSA-N 0 1 291.439 2.792 20 30 CFEDMN N#CC[C@H]1CCCN(Cc2ccc3c(c2)OCCO3)C1 ZINC000595620435 349679958 /nfs/dbraw/zinc/67/99/58/349679958.db2.gz NNXHYKPLWHMUHP-CYBMUJFWSA-N 0 1 272.348 2.583 20 30 CFEDMN C=CCN(Cc1ccc(OC)c([N+](=O)[O-])c1)[C@@H](C)COC ZINC000595647898 349689103 /nfs/dbraw/zinc/68/91/03/349689103.db2.gz RXGDXPNHUJJZNB-LBPRGKRZSA-N 0 1 294.351 2.626 20 30 CFEDMN N#Cc1ccc(CN2CC[C@@H](Oc3ccccc3)C2)nc1 ZINC000595831770 349745808 /nfs/dbraw/zinc/74/58/08/349745808.db2.gz SCHRXYSIQWNDKU-QGZVFWFLSA-N 0 1 279.343 2.607 20 30 CFEDMN CC(C)(C)C(=O)N1CCC[C@@H](CN2CC[C@@](C)(C#N)C2)C1 ZINC000595842605 349752422 /nfs/dbraw/zinc/75/24/22/349752422.db2.gz TZUXHNPJTHGAQK-YOEHRIQHSA-N 0 1 291.439 2.507 20 30 CFEDMN C[C@@H]1CN(Cc2ccc(C#N)cc2Cl)C[C@@]1(C)CO ZINC000595871111 349758298 /nfs/dbraw/zinc/75/82/98/349758298.db2.gz IBOUECPMPAGASX-ABAIWWIYSA-N 0 1 278.783 2.662 20 30 CFEDMN CC(C)(C)OC(=O)C1(CNC[C@@H](C#N)CCC#N)CCC1 ZINC000596070734 349786425 /nfs/dbraw/zinc/78/64/25/349786425.db2.gz SUOZTQGALWXJKL-CYBMUJFWSA-N 0 1 291.395 2.532 20 30 CFEDMN C=CC[C@H](CO)NCc1cccc(F)c1Br ZINC000294986776 199285914 /nfs/dbraw/zinc/28/59/14/199285914.db2.gz GTRIBCDCXJVYOW-SNVBAGLBSA-N 0 1 288.160 2.615 20 30 CFEDMN C=C(C)CN1CCN(c2ccccc2OCC)CC1 ZINC000072816389 346941346 /nfs/dbraw/zinc/94/13/46/346941346.db2.gz HCRNQHGMIIFUGC-UHFFFAOYSA-N 0 1 260.381 2.783 20 30 CFEDMN CCc1ncc(CN[C@H](C)c2ccc(C#N)cc2)cn1 ZINC000414257660 529757068 /nfs/dbraw/zinc/75/70/68/529757068.db2.gz FMWPXAQDWOXDPP-GFCCVEGCSA-N 0 1 266.348 2.761 20 30 CFEDMN CCN1C[C@@H](C)N(c2nc(C#N)c(Cl)s2)C[C@@H]1C ZINC000596177508 349818695 /nfs/dbraw/zinc/81/86/95/349818695.db2.gz MLXZYYRMTNSYJS-DTWKUNHWSA-N 0 1 284.816 2.587 20 30 CFEDMN CCC[N@@H+](CC)C[C@@H](C)Nc1nc(C#N)c(Cl)s1 ZINC000596241810 349838185 /nfs/dbraw/zinc/83/81/85/349838185.db2.gz LKLSEDHGOQJCGV-SECBINFHSA-N 0 1 286.832 2.622 20 30 CFEDMN CCC[N@H+](CC)C[C@@H](C)N=c1[n-]c(C#N)c(Cl)s1 ZINC000596241810 349838189 /nfs/dbraw/zinc/83/81/89/349838189.db2.gz LKLSEDHGOQJCGV-SECBINFHSA-N 0 1 286.832 2.622 20 30 CFEDMN CCC[N@@H+](CC)C[C@@H](C)N=c1[n-]c(C#N)c(Cl)s1 ZINC000596241810 349838193 /nfs/dbraw/zinc/83/81/93/349838193.db2.gz LKLSEDHGOQJCGV-SECBINFHSA-N 0 1 286.832 2.622 20 30 CFEDMN CC[C@@H](C)[C@@H](CNc1nc(C#N)c(Cl)s1)OC ZINC000596249663 349840682 /nfs/dbraw/zinc/84/06/82/349840682.db2.gz JQFREQIZFROXJM-VXNVDRBHSA-N 0 1 273.789 2.563 20 30 CFEDMN CN1CCC[C@@H]1C(=O)N[C@H](CCCC#N)c1ccccc1 ZINC000352181200 530056445 /nfs/dbraw/zinc/05/64/45/530056445.db2.gz ZYFHNHWDBKMHIC-HZPDHXFCSA-N 0 1 285.391 2.632 20 30 CFEDMN CN1CCC[C@H]1C(=O)N[C@@H](C#N)c1ccc(C(C)(C)C)cc1 ZINC000114076081 530062497 /nfs/dbraw/zinc/06/24/97/530062497.db2.gz PXZSQOYOURRHRR-HOTGVXAUSA-N 0 1 299.418 2.759 20 30 CFEDMN N#Cc1ccc(F)c(CN2CCC(CF)CC2)c1 ZINC000295113889 199352260 /nfs/dbraw/zinc/35/22/60/199352260.db2.gz IWBCCPXCQUQQIL-UHFFFAOYSA-N 0 1 250.292 2.879 20 30 CFEDMN C=CCOc1ccc(CN(C)Cc2cnc[nH]2)cc1OC ZINC000668423394 539473345 /nfs/dbraw/zinc/47/33/45/539473345.db2.gz WZNUIXJZXJIEPC-UHFFFAOYSA-N 0 1 287.363 2.615 20 30 CFEDMN CCC(CC)(CNCCC#N)C(=O)OC(C)(C)C ZINC000573713266 334960336 /nfs/dbraw/zinc/96/03/36/334960336.db2.gz NUNKLFBQDUARLL-UHFFFAOYSA-N 0 1 254.374 2.638 20 30 CFEDMN CN(C)[C@H](C/N=C/c1cccc(O)c1O)c1cccs1 ZINC000022729198 346250273 /nfs/dbraw/zinc/25/02/73/346250273.db2.gz IIOZAERNHUZAPC-GFQQVXNGSA-N 0 1 290.388 2.881 20 30 CFEDMN Oc1cccc(/C=N/CCN2CCc3ccccc3C2)c1O ZINC000026431729 346265310 /nfs/dbraw/zinc/26/53/10/346265310.db2.gz QFOWEFVUUHYWHT-XDHOZWIPSA-N 0 1 296.370 2.575 20 30 CFEDMN Cn1ncc2c1CC(C)(C)CN(Cc1cccc(C#N)c1)C2 ZINC000596598942 349952493 /nfs/dbraw/zinc/95/24/93/349952493.db2.gz ONCXJASDKRTUED-UHFFFAOYSA-N 0 1 294.402 2.876 20 30 CFEDMN N#Cc1ccc(N2CCCN(C/C=C/Cl)CC2)cc1 ZINC000046085947 346419746 /nfs/dbraw/zinc/41/97/46/346419746.db2.gz PHPBXYKZCFWSQO-LREOWRDNSA-N 0 1 275.783 2.823 20 30 CFEDMN CCCN(CC(=O)NC1CCCC1)Cc1ccc(C#N)cc1 ZINC000047740606 346458362 /nfs/dbraw/zinc/45/83/62/346458362.db2.gz ABPYUPFBGWUIBN-UHFFFAOYSA-N 0 1 299.418 2.829 20 30 CFEDMN CC(C)(C)N1CCCN(C(=O)c2sccc2C#N)CC1 ZINC000052050597 346511634 /nfs/dbraw/zinc/51/16/34/346511634.db2.gz COBVXGTWQDHNKM-UHFFFAOYSA-N 0 1 291.420 2.566 20 30 CFEDMN CCN(Cc1nnc(-c2cccc(C#N)c2)o1)CC1CC1 ZINC000075739336 347096979 /nfs/dbraw/zinc/09/69/79/347096979.db2.gz AZZDDKCXNSKCRH-UHFFFAOYSA-N 0 1 282.347 2.840 20 30 CFEDMN C=C(C)CN(CC)CC(=O)N(C)C1CCCCC1 ZINC000052890378 346531430 /nfs/dbraw/zinc/53/14/30/346531430.db2.gz CIFIPKBSGTUIIA-UHFFFAOYSA-N 0 1 252.402 2.676 20 30 CFEDMN C=CCNC(=O)CN(CC)[C@H](C)c1ccc(F)cc1 ZINC000053087969 346538289 /nfs/dbraw/zinc/53/82/89/346538289.db2.gz WKDHRGWPIJQPAC-GFCCVEGCSA-N 0 1 264.344 2.511 20 30 CFEDMN CC(C)(C)CCN1CCN(C(=O)c2cccc(C#N)c2)CC1 ZINC000056042752 346602431 /nfs/dbraw/zinc/60/24/31/346602431.db2.gz CDQCKJWJKBBQEP-UHFFFAOYSA-N 0 1 299.418 2.752 20 30 CFEDMN CC(C)N(CCCCC#N)Cc1nc2ccccc2c(=O)[nH]1 ZINC000057590837 346631424 /nfs/dbraw/zinc/63/14/24/346631424.db2.gz CKZQVVZAMVJMOU-UHFFFAOYSA-N 0 1 298.390 2.827 20 30 CFEDMN CC[C@H](OC)C(=O)Nc1nc(-c2ccc(C)cc2)n[nH]1 ZINC000066043924 346746999 /nfs/dbraw/zinc/74/69/99/346746999.db2.gz VHKJRCPMXKNEEE-NSHDSACASA-N 0 1 274.324 2.793 20 30 CFEDMN N#CCCCN1CCC[C@@H]1c1cccc2c1OCCO2 ZINC000066899556 346783479 /nfs/dbraw/zinc/78/34/79/346783479.db2.gz JWXWRTDCHQCUFR-CQSZACIVSA-N 0 1 272.348 2.898 20 30 CFEDMN N#CC1(C(=O)Nc2cccc(Cl)c2O)CCC1 ZINC000077012711 347164267 /nfs/dbraw/zinc/16/42/67/347164267.db2.gz TZJPGWAMXLLFCB-UHFFFAOYSA-N 0 1 250.685 2.678 20 30 CFEDMN COCC#CCN1CCS[C@H](C)[C@@H]1c1ccccc1 ZINC000677133144 539555096 /nfs/dbraw/zinc/55/50/96/539555096.db2.gz JTJFJTBVBHJEOT-GDBMZVCRSA-N 0 1 275.417 2.815 20 30 CFEDMN COCC#CCN1CCC[C@H]1Cc1ccccc1Cl ZINC000677133390 539556120 /nfs/dbraw/zinc/55/61/20/539556120.db2.gz TTXIOEPTLUYFDJ-HNNXBMFYSA-N 0 1 277.795 2.997 20 30 CFEDMN C=C(C)CN(CC)CC(=O)NC12CC3CC(CC(C3)C1)C2 ZINC000078282518 347236966 /nfs/dbraw/zinc/23/69/66/347236966.db2.gz ZFDHHWADEOSVHM-UHFFFAOYSA-N 0 1 290.451 2.969 20 30 CFEDMN CC(C)(C)CCN1CCN(C(=O)C2(C#N)CCCC2)CC1 ZINC000079262592 347294709 /nfs/dbraw/zinc/29/47/09/347294709.db2.gz KFEYHJQQCSATNO-UHFFFAOYSA-N 0 1 291.439 2.651 20 30 CFEDMN CCOc1ccccc1N1CCN(CCCCC#N)CC1 ZINC000078647144 347267264 /nfs/dbraw/zinc/26/72/64/347267264.db2.gz CPUMEPBHLHUXNS-UHFFFAOYSA-N 0 1 287.407 2.901 20 30 CFEDMN CCN(CCC#N)CC1CCN(C(=O)OC(C)(C)C)CC1 ZINC000081054567 347401676 /nfs/dbraw/zinc/40/16/76/347401676.db2.gz LHKZPJJKOPJADL-UHFFFAOYSA-N 0 1 295.427 2.869 20 30 CFEDMN C[C@H](CC#N)NC(=O)c1ccc(Nc2ccncc2)cc1 ZINC000081305776 347412444 /nfs/dbraw/zinc/41/24/44/347412444.db2.gz FDJKYBWNUGSHLE-GFCCVEGCSA-N 0 1 280.331 2.857 20 30 CFEDMN N#Cc1ccc(CN2CCC[C@H](c3ncc[nH]3)C2)c(F)c1 ZINC000080961586 347389714 /nfs/dbraw/zinc/38/97/14/347389714.db2.gz JCMLQIIARLZJQJ-AWEZNQCLSA-N 0 1 284.338 2.800 20 30 CFEDMN C[C@@H](O)[C@@H]1CCCN(CC#Cc2ccc(Cl)cc2)C1 ZINC000089928338 347531799 /nfs/dbraw/zinc/53/17/99/347531799.db2.gz HZEPJYHDUYRZLD-UKRRQHHQSA-N 0 1 277.795 2.784 20 30 CFEDMN N#Cc1ccc(CN(CCO)[C@@H]2CCc3ccccc32)o1 ZINC000093387709 347672179 /nfs/dbraw/zinc/67/21/79/347672179.db2.gz LUSJMUJBYHHEGF-QGZVFWFLSA-N 0 1 282.343 2.633 20 30 CFEDMN CN(Cc1ccc(C#N)o1)[C@@H](CCO)c1ccccc1 ZINC000093442496 347673885 /nfs/dbraw/zinc/67/38/85/347673885.db2.gz DAHTWAYRULQUDI-INIZCTEOSA-N 0 1 270.332 2.707 20 30 CFEDMN N#Cc1cccc(N2N=C3CCCCC[C@@H]3C2=O)c1 ZINC000107892472 347737070 /nfs/dbraw/zinc/73/70/70/347737070.db2.gz CHKCFMUTNVQVJY-ZDUSSCGKSA-N 0 1 253.305 2.841 20 30 CFEDMN N#Cc1cccc(-n2[nH]c3c(c2=O)CCCCC3)c1 ZINC000107892472 347737072 /nfs/dbraw/zinc/73/70/72/347737072.db2.gz CHKCFMUTNVQVJY-ZDUSSCGKSA-N 0 1 253.305 2.841 20 30 CFEDMN CC(C)C[C@H]1CCCN(CC(=O)N[C@@](C)(C#N)C(C)C)C1 ZINC000119251529 347800920 /nfs/dbraw/zinc/80/09/20/347800920.db2.gz TUSFVUMLOHKUBU-WBVHZDCISA-N 0 1 293.455 2.799 20 30 CFEDMN CCO[C@H]1CCCN(Cc2ccc(C#N)cc2OC)C1 ZINC000121013473 347809703 /nfs/dbraw/zinc/80/97/03/347809703.db2.gz UGUOMXUOFQMKPH-HNNXBMFYSA-N 0 1 274.364 2.568 20 30 CFEDMN C=C(C)CN(CC)Cc1cnn(CC(F)(F)F)c1 ZINC000505848032 539583584 /nfs/dbraw/zinc/58/35/84/539583584.db2.gz KZCWCNIYWIXETM-UHFFFAOYSA-N 0 1 261.291 2.843 20 30 CFEDMN O=C(NO)[C@@H]1CCCC[C@H]1c1nc2ccc(Cl)cc2[nH]1 ZINC000671996938 539578586 /nfs/dbraw/zinc/57/85/86/539578586.db2.gz XEFLTMXWJNUDEU-NXEZZACHSA-N 0 1 293.754 2.996 20 30 CFEDMN N#Cc1ccc(CN2CCC[C@H](CCO)C2)c(Cl)c1 ZINC000163668435 348034279 /nfs/dbraw/zinc/03/42/79/348034279.db2.gz STALOMGARVSODE-GFCCVEGCSA-N 0 1 278.783 2.806 20 30 CFEDMN CC[C@H]1CO[C@@H](C)CN1Cc1ccc(C#N)cc1C ZINC000165451884 348039173 /nfs/dbraw/zinc/03/91/73/348039173.db2.gz RACXUWDGLJPHPX-BBRMVZONSA-N 0 1 258.365 2.866 20 30 CFEDMN C[C@](CO)(NCc1ccc(C#N)cc1)c1ccccc1 ZINC000169252152 348050893 /nfs/dbraw/zinc/05/08/93/348050893.db2.gz SPONYJIREGLIDP-QGZVFWFLSA-N 0 1 266.344 2.556 20 30 CFEDMN CCO[C@@H]1CCCN(Cc2ccc(C#N)c(OC)c2)C1 ZINC000233755318 348217505 /nfs/dbraw/zinc/21/75/05/348217505.db2.gz USGUVDZHABZRNA-OAHLLOKOSA-N 0 1 274.364 2.568 20 30 CFEDMN N#Cc1ccc(CN(CCO)CCc2ccccc2)c(F)c1 ZINC000304065742 348376805 /nfs/dbraw/zinc/37/68/05/348376805.db2.gz SZDNBFPDQQINMF-UHFFFAOYSA-N 0 1 298.361 2.734 20 30 CFEDMN N#Cc1ccccc1CN(CCO)CCc1ccccc1 ZINC000304061842 348377063 /nfs/dbraw/zinc/37/70/63/348377063.db2.gz PYMFLHZSHCIPRI-UHFFFAOYSA-N 0 1 280.371 2.595 20 30 CFEDMN C#C[C@@H](NCc1nc2c(s1)CN(C(C)C)CC2)C(C)C ZINC000367722627 348515012 /nfs/dbraw/zinc/51/50/12/348515012.db2.gz BCAXLXWEZARTFV-CYBMUJFWSA-N 0 1 291.464 2.657 20 30 CFEDMN CCN(Cc1cccc(C#N)c1F)[C@H]1CCCOC1 ZINC000402849004 348583390 /nfs/dbraw/zinc/58/33/90/348583390.db2.gz RQZHRVNQWNHGGK-AWEZNQCLSA-N 0 1 262.328 2.698 20 30 CFEDMN CC[C@@H]1CN(Cc2ccc(C#N)cc2)[C@H](CC)CO1 ZINC000403898232 348588624 /nfs/dbraw/zinc/58/86/24/348588624.db2.gz ULGSZESYXFAKEI-HZPDHXFCSA-N 0 1 258.365 2.948 20 30 CFEDMN COc1ccc(CN2CCC[C@@H](CC#N)C2)cc1OC ZINC000397685386 348563531 /nfs/dbraw/zinc/56/35/31/348563531.db2.gz NBMYDYPKKOLXFC-ZDUSSCGKSA-N 0 1 274.364 2.829 20 30 CFEDMN COc1cc(F)cc(C[C@H](C)NC[C@H](C#N)CCC#N)c1 ZINC000570955697 348666469 /nfs/dbraw/zinc/66/64/69/348666469.db2.gz WFQMBAJRMQEZNK-STQMWFEESA-N 0 1 289.354 2.798 20 30 CFEDMN Cc1cc(C)c(C#N)c(NCc2n[nH]c(C(C)(C)C)n2)n1 ZINC000413419373 233070370 /nfs/dbraw/zinc/07/03/70/233070370.db2.gz NKWZANJMERIWPZ-UHFFFAOYSA-N 0 1 284.367 2.598 20 30 CFEDMN CN(C)c1ccnc(NC(=O)CCCCCC#N)c1 ZINC000588676333 348791762 /nfs/dbraw/zinc/79/17/62/348791762.db2.gz FJGXATLWFQVKGQ-UHFFFAOYSA-N 0 1 260.341 2.560 20 30 CFEDMN CC[C@@H](C)c1nc([C@@H](C)NC(=O)CCCCCC#N)n[nH]1 ZINC000588720735 348793292 /nfs/dbraw/zinc/79/32/92/348793292.db2.gz YEVFESDFZVPZRO-VXGBXAGGSA-N 0 1 291.399 2.969 20 30 CFEDMN Cc1ccc(C#N)c(Nc2cnn(-c3ccncc3)c2)n1 ZINC000587802908 348762709 /nfs/dbraw/zinc/76/27/09/348762709.db2.gz FLNFHWBMEGCEQC-UHFFFAOYSA-N 0 1 276.303 2.586 20 30 CFEDMN Cc1cc(C(=O)N=c2[nH]n(C(C)(C)C)cc2C#N)cs1 ZINC000588936868 348804921 /nfs/dbraw/zinc/80/49/21/348804921.db2.gz HLUWERVEBCVQPZ-UHFFFAOYSA-N 0 1 288.376 2.554 20 30 CFEDMN Cn1cnc(CN[C@@H](CCCC#N)c2ccccc2)c1 ZINC000590068592 348872359 /nfs/dbraw/zinc/87/23/59/348872359.db2.gz DADLSCRBDDAGLX-INIZCTEOSA-N 0 1 268.364 2.945 20 30 CFEDMN CN(CCCOc1ccc([N+](=O)[O-])cc1)CC(C)(C)C#N ZINC000590123661 348876460 /nfs/dbraw/zinc/87/64/60/348876460.db2.gz DLFFUDOMLICQCG-UHFFFAOYSA-N 0 1 291.351 2.845 20 30 CFEDMN N#C[C@H]1CC[C@H](N2CC(c3nc4ccccc4[nH]3)C2)C1 ZINC000590167681 348881775 /nfs/dbraw/zinc/88/17/75/348881775.db2.gz LTLHLTKPMFGCBW-AAEUAGOBSA-N 0 1 266.348 2.654 20 30 CFEDMN C[C@@H]1Cc2cn[nH]c2[C@@H](C(=O)Nc2cccc(C#N)c2)C1 ZINC000590416130 348899526 /nfs/dbraw/zinc/89/95/26/348899526.db2.gz XXBUCFDZJULNFZ-YGRLFVJLSA-N 0 1 280.331 2.586 20 30 CFEDMN C[C@H]1Cc2cn[nH]c2[C@H](C(=O)Nc2cccc(C#N)c2)C1 ZINC000590416128 348899614 /nfs/dbraw/zinc/89/96/14/348899614.db2.gz XXBUCFDZJULNFZ-IINYFYTJSA-N 0 1 280.331 2.586 20 30 CFEDMN N#CC1(CCN2CCc3cn[nH]c3C2)CCCCC1 ZINC000591019689 348979259 /nfs/dbraw/zinc/97/92/59/348979259.db2.gz VCIZOUFYCNBMFV-UHFFFAOYSA-N 0 1 258.369 2.632 20 30 CFEDMN N#Cc1cnc(NC[C@@H]2CCCCN2C2CC2)c(F)c1 ZINC000591159107 348994831 /nfs/dbraw/zinc/99/48/31/348994831.db2.gz CKZURPSTPIXWHZ-ZDUSSCGKSA-N 0 1 274.343 2.521 20 30 CFEDMN CCO[C@@H]1C[C@@H](NCc2ccc(C#N)cc2F)[C@H]1SC ZINC000590956301 348972281 /nfs/dbraw/zinc/97/22/81/348972281.db2.gz KDCNXPFVXKNNNN-RBSFLKMASA-N 0 1 294.395 2.696 20 30 CFEDMN CCn1cncc1CNCc1ccc(C#N)c(Cl)c1 ZINC000591356700 349011689 /nfs/dbraw/zinc/01/16/89/349011689.db2.gz MCGZSVWWFBWGOJ-UHFFFAOYSA-N 0 1 274.755 2.718 20 30 CFEDMN CC(C)C[C@@H](N)c1noc(Cc2cccc(C#N)c2)n1 ZINC000592353114 349106830 /nfs/dbraw/zinc/10/68/30/349106830.db2.gz URGFWVAQCVJVQZ-CYBMUJFWSA-N 0 1 270.336 2.578 20 30 CFEDMN C[C@H](Cc1ccc(O)cc1)N(C)Cc1ccncc1C#N ZINC000592075278 349080310 /nfs/dbraw/zinc/08/03/10/349080310.db2.gz JPSTXDOUTQCNLG-CYBMUJFWSA-N 0 1 281.359 2.722 20 30 CFEDMN C[C@@H]1CC(C)(C)C[C@](CO)(NCc2ccncc2C#N)C1 ZINC000592079627 349080756 /nfs/dbraw/zinc/08/07/56/349080756.db2.gz DKFIVYNQMZXQSB-CXAGYDPISA-N 0 1 287.407 2.620 20 30 CFEDMN CCO[C@H]1C[C@@H](NCc2ccncc2C#N)C12CCCC2 ZINC000592120832 349085873 /nfs/dbraw/zinc/08/58/73/349085873.db2.gz BPZJFEHTPQCGEI-CVEARBPZSA-N 0 1 285.391 2.781 20 30 CFEDMN CCN(C[C@H](C)C#N)C(=O)CNC1(c2ccccc2C)CC1 ZINC000592139976 349090170 /nfs/dbraw/zinc/09/01/70/349090170.db2.gz QNXZRZACWPNTPD-CQSZACIVSA-N 0 1 299.418 2.582 20 30 CFEDMN CC(C)COc1ccccc1CN1CC[C@@](O)(CC#N)C1 ZINC000592151772 349092691 /nfs/dbraw/zinc/09/26/91/349092691.db2.gz REWBSODLUYNLLP-KRWDZBQOSA-N 0 1 288.391 2.572 20 30 CFEDMN N#Cc1cccc(/C=C\c2nc([C@H]3CCCN3)no2)c1 ZINC000592357165 349107895 /nfs/dbraw/zinc/10/78/95/349107895.db2.gz RSQNEXIRJIZBMA-FMFIFOJESA-N 0 1 266.304 2.536 20 30 CFEDMN C=C(C)CCN1CCc2cccc(C(=O)OC)c2C1 ZINC000592165121 349094508 /nfs/dbraw/zinc/09/45/08/349094508.db2.gz QMIXEQSUKWDSHW-UHFFFAOYSA-N 0 1 259.349 2.798 20 30 CFEDMN CC(C)[C@@H]1N(Cc2cnc3c(C#N)cnn3c2)CC12CCC2 ZINC000592514410 349129831 /nfs/dbraw/zinc/12/98/31/349129831.db2.gz BHNXIIJPFWWROU-HNNXBMFYSA-N 0 1 295.390 2.611 20 30 CFEDMN CCCCOc1ccccc1CN1CC[C@@](O)(CC#N)C1 ZINC000592523136 349132481 /nfs/dbraw/zinc/13/24/81/349132481.db2.gz WFXUKOQBNJKIQC-KRWDZBQOSA-N 0 1 288.391 2.716 20 30 CFEDMN Cc1cc(CN2CC[C@@](O)(CC#N)C2)ccc1C(F)(F)F ZINC000592526381 349134674 /nfs/dbraw/zinc/13/46/74/349134674.db2.gz YJYDPIKATQUINF-AWEZNQCLSA-N 0 1 298.308 2.864 20 30 CFEDMN C=CCCCN(C)Cc1ccc(C#N)cc1[N+](=O)[O-] ZINC000593014144 349186963 /nfs/dbraw/zinc/18/69/63/349186963.db2.gz USWSNAURCXDTRM-UHFFFAOYSA-N 0 1 259.309 2.864 20 30 CFEDMN CC(C)Oc1ccnc(CN2CCC(CC#N)CC2)c1 ZINC000593022952 349188602 /nfs/dbraw/zinc/18/86/02/349188602.db2.gz LWWAKRNSBSGACD-UHFFFAOYSA-N 0 1 273.380 2.994 20 30 CFEDMN CCc1c(NC(=O)[C@H](C#N)CC)[nH]nc1-c1ccncc1 ZINC000593451153 349273435 /nfs/dbraw/zinc/27/34/35/349273435.db2.gz SLVNHDZXEPEUTA-JTQLQIEISA-N 0 1 283.335 2.522 20 30 CFEDMN CC[C@H](C#N)C(=O)NC[C@@H](c1ccc(Cl)cc1)N(C)C ZINC000593501460 349285887 /nfs/dbraw/zinc/28/58/87/349285887.db2.gz ZTZHOPMQCZURQY-RISCZKNCSA-N 0 1 293.798 2.609 20 30 CFEDMN CCCCCNC(=O)CNC1(c2ccc(C#N)cc2)CCC1 ZINC000594032112 349357303 /nfs/dbraw/zinc/35/73/03/349357303.db2.gz DKSVIBHMQXVAAO-UHFFFAOYSA-N 0 1 299.418 2.833 20 30 CFEDMN N#CC1(CNC(=O)c2cc3[nH]cnc3cc2F)CCCC1 ZINC000593897844 349333510 /nfs/dbraw/zinc/33/35/10/349333510.db2.gz IZDZNXHQAFJSJL-UHFFFAOYSA-N 0 1 286.310 2.516 20 30 CFEDMN N#Cc1ccc(CN2CCC[C@H](Oc3ccccc3)C2)nc1 ZINC000593958554 349340298 /nfs/dbraw/zinc/34/02/98/349340298.db2.gz SJIWHOZAUIYLID-SFHVURJKSA-N 0 1 293.370 2.997 20 30 CFEDMN CC(C)[C@@H](C)NC(=O)CNC1(c2ccc(C#N)cc2)CCC1 ZINC000594032980 349358203 /nfs/dbraw/zinc/35/82/03/349358203.db2.gz UHSFDGQTGSCBAT-CQSZACIVSA-N 0 1 299.418 2.688 20 30 CFEDMN C[C@H](O)[C@H](N[C@H]1CCC[C@H](C#N)C1)c1ccccc1F ZINC000593659002 349305610 /nfs/dbraw/zinc/30/56/10/349305610.db2.gz RIMFLHVPYYYRMB-QCQGSNGOSA-N 0 1 276.355 2.920 20 30 CFEDMN C=C(C)C[N@H+](CC)Cc1cc(C(=O)[O-])ccc1[N+](=O)[O-] ZINC000593732455 349316099 /nfs/dbraw/zinc/31/60/99/349316099.db2.gz NIZYCJNAABCSIW-UHFFFAOYSA-N 0 1 278.308 2.691 20 30 CFEDMN C[C@@H](O)CN(Cc1ccc(C#N)cc1Cl)C1CC1 ZINC000594063056 349367148 /nfs/dbraw/zinc/36/71/48/349367148.db2.gz IEHZBXKJYJHMFV-SNVBAGLBSA-N 0 1 264.756 2.557 20 30 CFEDMN C[C@H](CC#N)C(=O)Nc1ccc2nc([C@H]3CCCO3)[nH]c2c1 ZINC000596966777 350009866 /nfs/dbraw/zinc/00/98/66/350009866.db2.gz BYZRZYJNLXDJND-QMTHXVAHSA-N 0 1 298.346 2.903 20 30 CFEDMN CN(Cc1cn[nH]c1)Cc1ccc(C2(C#N)CC2)cc1 ZINC000597009800 350015302 /nfs/dbraw/zinc/01/53/02/350015302.db2.gz LHHIONNNLROEIO-UHFFFAOYSA-N 0 1 266.348 2.597 20 30 CFEDMN Cc1c(CN(C)Cc2ccc(C3(C#N)CC3)cc2)cnn1C ZINC000597117922 350032620 /nfs/dbraw/zinc/03/26/20/350032620.db2.gz ZFJAOTMRTXTSQE-UHFFFAOYSA-N 0 1 294.402 2.916 20 30 CFEDMN Cn1cc(CN2CCC[C@H](CC#N)C2)c(-c2ccncc2)n1 ZINC000597173524 350043497 /nfs/dbraw/zinc/04/34/97/350043497.db2.gz JOFLUUFPIXLTQY-CQSZACIVSA-N 0 1 295.390 2.608 20 30 CFEDMN N#CC[C@H]1CCCN(Cc2ccc(-c3cc[nH]n3)o2)C1 ZINC000597176109 350044403 /nfs/dbraw/zinc/04/44/03/350044403.db2.gz FLSVUTWLPNLFEY-GFCCVEGCSA-N 0 1 270.336 2.795 20 30 CFEDMN COc1cc(C)c(CN2CCC[C@@H](CC#N)C2)c(C)n1 ZINC000597177841 350045127 /nfs/dbraw/zinc/04/51/27/350045127.db2.gz RHCMQGLANRVFNU-AWEZNQCLSA-N 0 1 273.380 2.833 20 30 CFEDMN C[C@@]1(C#N)CCN(C[C@@H]2CCOc3ccccc32)C1 ZINC000597232904 350066642 /nfs/dbraw/zinc/06/66/42/350066642.db2.gz YDJGHOBFHNVKKN-BBRMVZONSA-N 0 1 256.349 2.788 20 30 CFEDMN CCN1C[C@H](C)N(C(=O)CC2(C#N)CCCCC2)C[C@H]1C ZINC000597466849 350100834 /nfs/dbraw/zinc/10/08/34/350100834.db2.gz INTRVEPAPBGPCM-CABCVRRESA-N 0 1 291.439 2.792 20 30 CFEDMN C[C@@H](CC#N)C(=O)Nc1ccc2nc(C(F)F)[nH]c2c1 ZINC000597446314 350098330 /nfs/dbraw/zinc/09/83/30/350098330.db2.gz MLHHKANLEGWHGN-ZETCQYMHSA-N 0 1 278.262 2.989 20 30 CFEDMN CC[C@H](C)N1CCN(C(=O)CC2(C#N)CCCCC2)CC1 ZINC000597738070 350130435 /nfs/dbraw/zinc/13/04/35/350130435.db2.gz REXMHBIKXJSATG-HNNXBMFYSA-N 0 1 291.439 2.793 20 30 CFEDMN CC[C@H](CSC)N(C)CC(=O)Nc1cccc(C#N)c1 ZINC000091099845 180098204 /nfs/dbraw/zinc/09/82/04/180098204.db2.gz DYNPMLYSMZDRJM-CQSZACIVSA-N 0 1 291.420 2.570 20 30 CFEDMN Cc1n[nH]c(C(=O)NC(C)(C)c2cccc(C#N)c2)c1C ZINC000597949719 350161175 /nfs/dbraw/zinc/16/11/75/350161175.db2.gz WFAAITLEHWXTAA-UHFFFAOYSA-N 0 1 282.347 2.563 20 30 CFEDMN C[C@H](C#N)N(C(=O)c1cnc(-c2ccccc2)[nH]1)C1CC1 ZINC000598129503 350204099 /nfs/dbraw/zinc/20/40/99/350204099.db2.gz VHCVRJOKASQASY-LLVKDONJSA-N 0 1 280.331 2.593 20 30 CFEDMN CCN(C(=O)c1cc(C2CCCCC2)[nH]n1)[C@H](C)C#N ZINC000598359489 350247919 /nfs/dbraw/zinc/24/79/19/350247919.db2.gz VLKRJPAFNLOGSR-LLVKDONJSA-N 0 1 274.368 2.832 20 30 CFEDMN COCC#CCSc1nc(C=Cc2ccc(C)o2)n[nH]1 ZINC000677806957 539787740 /nfs/dbraw/zinc/78/77/40/539787740.db2.gz VTUVBJZPJUYOFG-FPLPWBNLSA-N 0 1 289.360 2.618 20 30 CFEDMN Cc1nc(C)c(C(=O)Nc2cccc(OCCCC#N)c2)[nH]1 ZINC000598664633 350306619 /nfs/dbraw/zinc/30/66/19/350306619.db2.gz IBQIVHIAUCLSAS-UHFFFAOYSA-N 0 1 298.346 2.961 20 30 CFEDMN Cc1ccc(F)c(CN(C)C[C@H](O)CC(C)(C)C#N)c1 ZINC000598613242 350293518 /nfs/dbraw/zinc/29/35/18/350293518.db2.gz IXTLYGQQAUDSTL-CQSZACIVSA-N 0 1 278.371 2.867 20 30 CFEDMN Cc1csc(C2(NC[C@@H](O)CC(C)(C)C#N)CCC2)n1 ZINC000598611299 350293920 /nfs/dbraw/zinc/29/39/20/350293920.db2.gz HIBOVWLAGXMNCX-LBPRGKRZSA-N 0 1 293.436 2.721 20 30 CFEDMN COCC#CCN1C[C@H](C)C[C@@H]1c1cccc(F)c1 ZINC000677819796 539794333 /nfs/dbraw/zinc/79/43/33/539794333.db2.gz AKWAOFYRPSWXGN-CZUORRHYSA-N 0 1 261.340 2.858 20 30 CFEDMN OCCN(CC#Cc1ccc(F)cc1)CCc1ccccc1 ZINC000132869292 539797334 /nfs/dbraw/zinc/79/73/34/539797334.db2.gz BOSVPTNZJCQAIH-UHFFFAOYSA-N 0 1 297.373 2.714 20 30 CFEDMN C=CC[C@@H]1CCN(Cc2nc3cc([N+](=O)[O-])ccc3[nH]2)C1 ZINC000599528064 350450798 /nfs/dbraw/zinc/45/07/98/350450798.db2.gz AUBOSAVJCMROCP-LLVKDONJSA-N 0 1 286.335 2.869 20 30 CFEDMN N#Cc1ccc(N2CCC[C@H](N(C3CC3)C3CC3)C2=O)cc1 ZINC000599599559 350463208 /nfs/dbraw/zinc/46/32/08/350463208.db2.gz LQONPKVXTMKZSA-KRWDZBQOSA-N 0 1 295.386 2.680 20 30 CFEDMN N#CCCOCCN1CCc2cc(C(F)(F)F)ccc2C1 ZINC000599636835 350470073 /nfs/dbraw/zinc/47/00/73/350470073.db2.gz PZWMUKCQYSLWQY-UHFFFAOYSA-N 0 1 298.308 2.994 20 30 CFEDMN Cc1ccc(C[N@H+]2CCC[C@H](CC(=O)[O-])C2)cc1C#N ZINC000600703558 350598279 /nfs/dbraw/zinc/59/82/79/350598279.db2.gz XGBPRZFGOMYRFQ-CYBMUJFWSA-N 0 1 272.348 2.553 20 30 CFEDMN CN(CC(=O)N[C@H]1CCCc2cc(C#N)ccc21)C1CCC1 ZINC000600830167 350617703 /nfs/dbraw/zinc/61/77/03/350617703.db2.gz RIKNUBMFXASXOT-KRWDZBQOSA-N 0 1 297.402 2.536 20 30 CFEDMN C=CCSCCNCc1ccncc1Br ZINC000601105130 350669358 /nfs/dbraw/zinc/66/93/58/350669358.db2.gz AQLFQKRBWVVKSB-UHFFFAOYSA-N 0 1 287.226 2.853 20 30 CFEDMN COc1cncc(CNCc2ccc(C#N)c(F)c2)c1C ZINC000601125471 350675247 /nfs/dbraw/zinc/67/52/47/350675247.db2.gz HBAFTNGWFJVKKF-UHFFFAOYSA-N 0 1 285.322 2.699 20 30 CFEDMN CC[C@@H](C)c1cc(=O)n(Cc2ccc(C#N)cc2)[nH]1 ZINC000601947918 350815620 /nfs/dbraw/zinc/81/56/20/350815620.db2.gz UXYRNVCGEBWWIB-LLVKDONJSA-N 0 1 255.321 2.693 20 30 CFEDMN C[C@@H](C(=O)Nc1cc(F)cc(C#N)c1)N1[C@H](C)CC[C@H]1C ZINC000601715679 350768122 /nfs/dbraw/zinc/76/81/22/350768122.db2.gz OBLTYLCZHDEPNP-UTUOFQBUSA-N 0 1 289.354 2.897 20 30 CFEDMN C[C@@H](c1cccc(C#N)c1)N(C)[C@H]1CCCCN(C)C1=O ZINC000601971907 350821828 /nfs/dbraw/zinc/82/18/28/350821828.db2.gz XFXOSSYOOFZYMD-BBRMVZONSA-N 0 1 285.391 2.562 20 30 CFEDMN N#CCCN[C@H]1[C@@H]2Cc3cc(Br)ccc3[C@@H]21 ZINC000601969700 350821937 /nfs/dbraw/zinc/82/19/37/350821937.db2.gz RZGHLPQPODNAJH-AGIUHOORSA-N 0 1 277.165 2.590 20 30 CFEDMN CN(C(=O)C(C#N)CCc1ccccc1)[C@H]1CCC[C@@H]1C#N ZINC000601824386 350787178 /nfs/dbraw/zinc/78/71/78/350787178.db2.gz ZAVQJQKXPLWTJW-IKGGRYGDSA-N 0 1 295.386 2.910 20 30 CFEDMN CC[C@@](C)(C#N)C(=O)N[C@@H]1CCN(Cc2ccc(C)cc2)C1 ZINC000601880312 350797313 /nfs/dbraw/zinc/79/73/13/350797313.db2.gz FMMJABGUHJWBFW-AEFFLSMTSA-N 0 1 299.418 2.625 20 30 CFEDMN C[C@H]1CCC2=NN(c3cccc(C#N)c3)C(=O)[C@@H]2C1 ZINC000601933346 350806870 /nfs/dbraw/zinc/80/68/70/350806870.db2.gz XIWGEWZYBJQNFJ-GXFFZTMASA-N 0 1 253.305 2.697 20 30 CFEDMN C[C@H]1CCc2[nH]n(-c3cccc(C#N)c3)c(=O)c2C1 ZINC000601933346 350806874 /nfs/dbraw/zinc/80/68/74/350806874.db2.gz XIWGEWZYBJQNFJ-GXFFZTMASA-N 0 1 253.305 2.697 20 30 CFEDMN Cc1[nH]n(Cc2cccc(C)c2)c(=O)c1CCC#N ZINC000601937355 350809335 /nfs/dbraw/zinc/80/93/35/350809335.db2.gz AIHXXXCYCCAIHG-CQSZACIVSA-N 0 1 255.321 2.633 20 30 CFEDMN Cc1nc(C#N)c(N2N=C3CCCCCC[C@@H]3C2=O)o1 ZINC000601941573 350811458 /nfs/dbraw/zinc/81/14/58/350811458.db2.gz XGPYYROPHYDUGR-JTQLQIEISA-N 0 1 272.308 2.528 20 30 CFEDMN C[C@H]1CCc2[nH]n(Cc3cccc(C#N)c3)c(=O)c2C1 ZINC000601944567 350812637 /nfs/dbraw/zinc/81/26/37/350812637.db2.gz LNPMEFWBIXTWJC-SMDDNHRTSA-N 0 1 267.332 2.693 20 30 CFEDMN C[C@H](NCc1cccc(F)c1C#N)[C@H]1CCCCO1 ZINC000602015769 350832214 /nfs/dbraw/zinc/83/22/14/350832214.db2.gz PBCQUZPXKPLCFP-XHDPSFHLSA-N 0 1 262.328 2.745 20 30 CFEDMN N#Cc1c(F)cccc1CNCC1(CO)CC2(CCC2)C1 ZINC000602017882 350832972 /nfs/dbraw/zinc/83/29/72/350832972.db2.gz TZIPJWRLJLKGPC-UHFFFAOYSA-N 0 1 288.366 2.730 20 30 CFEDMN C[C@H]1CCC[C@@H](CNCc2cccc(F)c2C#N)O1 ZINC000602027985 350835027 /nfs/dbraw/zinc/83/50/27/350835027.db2.gz KYMPDNQOFWJGBV-AAEUAGOBSA-N 0 1 262.328 2.745 20 30 CFEDMN C[C@H](c1ccccc1)[C@@H](O)CNCc1cccc(F)c1C#N ZINC000602029365 350835920 /nfs/dbraw/zinc/83/59/20/350835920.db2.gz VHBMXHPCVCTDTB-ACJLOTCBSA-N 0 1 298.361 2.952 20 30 CFEDMN C[C@@H](c1ccccc1)[C@H](O)CNCc1cccc(F)c1C#N ZINC000602029367 350836195 /nfs/dbraw/zinc/83/61/95/350836195.db2.gz VHBMXHPCVCTDTB-SCLBCKFNSA-N 0 1 298.361 2.952 20 30 CFEDMN C[C@H](NC(=O)[C@@H]1CCN1C1CCCC1)c1ccc(C#N)cc1 ZINC000602052721 350836937 /nfs/dbraw/zinc/83/69/37/350836937.db2.gz NQPSPRUIKBHHSY-GUYCJALGSA-N 0 1 297.402 2.752 20 30 CFEDMN N#CCc1ccc(NC(=O)[C@@H]2CCN2C2CCCC2)cc1 ZINC000602046590 350836952 /nfs/dbraw/zinc/83/69/52/350836952.db2.gz TWJBMZYOMNHVGK-INIZCTEOSA-N 0 1 283.375 2.708 20 30 CFEDMN CC[C@H](C)[C@@](C)(O)CNCc1cccc(F)c1C#N ZINC000602005600 350828255 /nfs/dbraw/zinc/82/82/55/350828255.db2.gz JVOKIKOYJMQPID-NHYWBVRUSA-N 0 1 264.344 2.584 20 30 CFEDMN COC(=O)c1ccc2c(c1)CN(C[C@H](C)CCC#N)C2 ZINC000602477445 350898425 /nfs/dbraw/zinc/89/84/25/350898425.db2.gz WZXGKZFAYDRUFH-GFCCVEGCSA-N 0 1 272.348 2.729 20 30 CFEDMN CCOc1ccc(CNCc2cccc(C#N)n2)cc1 ZINC000602521846 350912862 /nfs/dbraw/zinc/91/28/62/350912862.db2.gz SMQNLXZNQNWJKI-UHFFFAOYSA-N 0 1 267.332 2.642 20 30 CFEDMN N#Cc1cccc(CN[C@@H](CCCO)c2ccccc2)n1 ZINC000602553824 350922691 /nfs/dbraw/zinc/92/26/91/350922691.db2.gz VTGKQZOJILAJOU-KRWDZBQOSA-N 0 1 281.359 2.557 20 30 CFEDMN COc1cccc2c1CC[C@H]2NCc1cccc(C#N)n1 ZINC000602568808 350927810 /nfs/dbraw/zinc/92/78/10/350927810.db2.gz NGFQIRQENFISAJ-MRXNPFEDSA-N 0 1 279.343 2.739 20 30 CFEDMN COCC[N@@H+](CCc1ccccc1)Cc1cccc(C#N)n1 ZINC000602445904 350885841 /nfs/dbraw/zinc/88/58/41/350885841.db2.gz YQTQISJXAIHIQQ-UHFFFAOYSA-N 0 1 295.386 2.644 20 30 CFEDMN CO[C@@H](CN(CCC#N)CCC(C)C)C1CCOCC1 ZINC000602464793 350892783 /nfs/dbraw/zinc/89/27/83/350892783.db2.gz GSBPNZRWACBNQW-INIZCTEOSA-N 0 1 282.428 2.690 20 30 CFEDMN N#Cc1cccc(CN2CCC(c3ccncc3)CC2)n1 ZINC000602658182 350963221 /nfs/dbraw/zinc/96/32/21/350963221.db2.gz CXWCEQVLVWKITQ-UHFFFAOYSA-N 0 1 278.359 2.728 20 30 CFEDMN C[C@@H](NCc1cccc(C#N)n1)[C@@H]1OCCc2sccc21 ZINC000602672781 350971807 /nfs/dbraw/zinc/97/18/07/350971807.db2.gz ZWUQSIINJNJHNW-BZNIZROVSA-N 0 1 299.399 2.807 20 30 CFEDMN COC(=O)c1cnc([C@H](C)NC[C@H](C)CCC#N)s1 ZINC000602692833 350981765 /nfs/dbraw/zinc/98/17/65/350981765.db2.gz BYSKZSUUSBHPBX-ZJUUUORDSA-N 0 1 281.381 2.520 20 30 CFEDMN Cc1nc2ccccc2nc1CN[C@@H]1CC[C@H](C#N)C1 ZINC000602696343 350983808 /nfs/dbraw/zinc/98/38/08/350983808.db2.gz YRJHRWCIADQICM-QWHCGFSZSA-N 0 1 266.348 2.720 20 30 CFEDMN CO[C@@H](CNCC1(C#N)CCCC1)Cc1ccccc1 ZINC000602700501 350986841 /nfs/dbraw/zinc/98/68/41/350986841.db2.gz UCFDYWNNLSWERK-MRXNPFEDSA-N 0 1 272.392 2.918 20 30 CFEDMN CC[C@@H](C)[C@@H](CN1Cc2ccc(C#N)cc2C1)OC ZINC000602712946 350995070 /nfs/dbraw/zinc/99/50/70/350995070.db2.gz WRAIYGDGRYNIMC-MLGOLLRUSA-N 0 1 258.365 2.935 20 30 CFEDMN C[C@H](CCC#N)CN1C[C@@H](C)O[C@@](C)(C(F)F)C1 ZINC000602714629 350995895 /nfs/dbraw/zinc/99/58/95/350995895.db2.gz HVVUVCMWNSGYEZ-NQBHXWOUSA-N 0 1 260.328 2.671 20 30 CFEDMN N#Cc1csc(CN2CC[C@H](OCc3ccccn3)C2)c1 ZINC000602717294 350997824 /nfs/dbraw/zinc/99/78/24/350997824.db2.gz ZLORSQUKEMNYSX-HNNXBMFYSA-N 0 1 299.399 2.806 20 30 CFEDMN N#Cc1ccc(C2(NCc3ccns3)CCOCC2)cc1 ZINC000602726185 351002020 /nfs/dbraw/zinc/00/20/20/351002020.db2.gz VZGVGWCONXEOAS-UHFFFAOYSA-N 0 1 299.399 2.810 20 30 CFEDMN N#Cc1cccc(CN2CC[C@H](COc3ccccc3)C2)n1 ZINC000602605763 350942696 /nfs/dbraw/zinc/94/26/96/350942696.db2.gz LIBRFZWYAHKDRA-HNNXBMFYSA-N 0 1 293.370 2.854 20 30 CFEDMN COc1cc(CN[C@@H]2CCc3cc(C#N)ccc32)sn1 ZINC000602639445 350957577 /nfs/dbraw/zinc/95/75/77/350957577.db2.gz JDSLKEBRJZPBES-CQSZACIVSA-N 0 1 285.372 2.800 20 30 CFEDMN Cc1ccccc1CN1CCN(CC2(CC#N)CC2)CC1 ZINC000602760067 351015681 /nfs/dbraw/zinc/01/56/81/351015681.db2.gz VXQJOXHZAMUVOT-UHFFFAOYSA-N 0 1 283.419 2.807 20 30 CFEDMN N#CCC1(C[N@H+]2CC[C@]3(C2)OCc2ccccc23)CC1 ZINC000602811204 351034829 /nfs/dbraw/zinc/03/48/29/351034829.db2.gz LHXUMCGYSDBUBM-QGZVFWFLSA-N 0 1 268.360 2.812 20 30 CFEDMN N#CCC1(CN2CC[C@]3(C2)OCc2ccccc23)CC1 ZINC000602811204 351034833 /nfs/dbraw/zinc/03/48/33/351034833.db2.gz LHXUMCGYSDBUBM-QGZVFWFLSA-N 0 1 268.360 2.812 20 30 CFEDMN N#CCC1(CN[C@@H](CCO)c2ccccc2F)CC1 ZINC000602852039 351045118 /nfs/dbraw/zinc/04/51/18/351045118.db2.gz NIFCYPCONMATAA-AWEZNQCLSA-N 0 1 262.328 2.533 20 30 CFEDMN C[C@@H](CC#N)NCCC(=O)Nc1ccccc1Cl ZINC000602864261 351051062 /nfs/dbraw/zinc/05/10/62/351051062.db2.gz RPPROVUHTFOHCX-JTQLQIEISA-N 0 1 265.744 2.560 20 30 CFEDMN CSc1ccccc1NC(=O)CCN[C@@H](C)CC#N ZINC000602868256 351051878 /nfs/dbraw/zinc/05/18/78/351051878.db2.gz INDVMBYUELWNTG-NSHDSACASA-N 0 1 277.393 2.629 20 30 CFEDMN COC[C@@H](NCC1(CC#N)CC1)c1cccc(OC)c1 ZINC000602881081 351056548 /nfs/dbraw/zinc/05/65/48/351056548.db2.gz CHUQQPXBKRANEI-OAHLLOKOSA-N 0 1 274.364 2.666 20 30 CFEDMN CN1CCN(C(=O)c2cccc(CC#N)c2)C[C@@H]1C(C)(C)C ZINC000603144504 351110731 /nfs/dbraw/zinc/11/07/31/351110731.db2.gz ZMEBSJXXEDUMMM-MRXNPFEDSA-N 0 1 299.418 2.555 20 30 CFEDMN CN(CCC(=O)NCC1CCCCC1)[C@@H]1CCC[C@@H]1C#N ZINC000602976262 351076869 /nfs/dbraw/zinc/07/68/69/351076869.db2.gz NIYDHBITZOIYDG-HZPDHXFCSA-N 0 1 291.439 2.697 20 30 CFEDMN CO[C@H](CN(C)[C@@H]1CCC[C@H]1C#N)C1CCCC1 ZINC000602981610 351082971 /nfs/dbraw/zinc/08/29/71/351082971.db2.gz GQRWIFIVKQLFAX-RRFJBIMHSA-N 0 1 250.386 2.816 20 30 CFEDMN CO[C@H](Cc1ccccc1)CN(C)[C@@H]1CCC[C@@H]1C#N ZINC000602981664 351083528 /nfs/dbraw/zinc/08/35/28/351083528.db2.gz HRTZFSGAGBQUPV-BRWVUGGUSA-N 0 1 272.392 2.868 20 30 CFEDMN N#Cc1cccc(NC(=O)c2cc(-c3ccoc3)n[nH]2)c1 ZINC000603683090 351178333 /nfs/dbraw/zinc/17/83/33/351178333.db2.gz AZBAJZWIMZQNHX-UHFFFAOYSA-N 0 1 278.271 2.794 20 30 CFEDMN C=CC[C@@H](C)NC(=O)c1ccc(CN(CC)CC)o1 ZINC000604880061 351228763 /nfs/dbraw/zinc/22/87/63/351228763.db2.gz OUMGXBJNCPJGMV-GFCCVEGCSA-N 0 1 264.369 2.816 20 30 CFEDMN C=CCCCCCN(C)C(=O)NCc1cc(C)[nH]n1 ZINC000606924819 351304101 /nfs/dbraw/zinc/30/41/01/351304101.db2.gz FFVVXYQCOHHTNJ-UHFFFAOYSA-N 0 1 264.373 2.606 20 30 CFEDMN CCN(CC)Cc1ccc(C(=O)Nc2ccncc2C#N)o1 ZINC000609786262 351520057 /nfs/dbraw/zinc/52/00/57/351520057.db2.gz UQPDJVWZPXTNJQ-UHFFFAOYSA-N 0 1 298.346 2.640 20 30 CFEDMN CC(C)[C@@H](C#N)N1CCN(C[C@@H](C)c2ccccc2)CC1 ZINC000609739049 351517596 /nfs/dbraw/zinc/51/75/96/351517596.db2.gz RGVVGPHPXOYYHO-SJLPKXTDSA-N 0 1 285.435 2.956 20 30 CFEDMN CCCCNC(=O)[C@@H](C)N[C@@H](C)c1cccc(C#N)c1 ZINC000610346015 351557198 /nfs/dbraw/zinc/55/71/98/351557198.db2.gz HOCMIUHSIPPSBH-QWHCGFSZSA-N 0 1 273.380 2.514 20 30 CFEDMN N#Cc1cc(CN2CC[C@@H](C(F)F)C2)ccc1F ZINC000611179643 351648846 /nfs/dbraw/zinc/64/88/46/351648846.db2.gz GYQQRLRFIWBNPW-SNVBAGLBSA-N 0 1 254.255 2.784 20 30 CFEDMN N#CCCCOc1cccc(CN2CCc3cn[nH]c3C2)c1 ZINC000611273677 351662491 /nfs/dbraw/zinc/66/24/91/351662491.db2.gz NZACUIQKQCSJQF-UHFFFAOYSA-N 0 1 296.374 2.651 20 30 CFEDMN COc1ccc(CN[C@H](C)c2cccc(C#N)c2)nc1 ZINC000611433300 351689076 /nfs/dbraw/zinc/68/90/76/351689076.db2.gz YFULCDRXQCUCQH-GFCCVEGCSA-N 0 1 267.332 2.813 20 30 CFEDMN CC(C)CSCCCN1CCN([C@@H](C#N)C(C)C)CC1 ZINC000611432031 351689384 /nfs/dbraw/zinc/68/93/84/351689384.db2.gz KLLUCMQVWQVGLV-INIZCTEOSA-N 0 1 297.512 2.931 20 30 CFEDMN CNC(=O)[C@H](CC(C)C)N[C@@H](C)c1ccc(C#N)c(F)c1 ZINC000611476972 351695791 /nfs/dbraw/zinc/69/57/91/351695791.db2.gz ANNUOKSROGEVOO-NHYWBVRUSA-N 0 1 291.370 2.509 20 30 CFEDMN C=CCN(Cc1cccc([N+](=O)[O-])c1)[C@H]1CCCOC1 ZINC000611290089 351664462 /nfs/dbraw/zinc/66/44/62/351664462.db2.gz RCNWDRHAGNATJO-HNNXBMFYSA-N 0 1 276.336 2.762 20 30 CFEDMN N#CCc1ccc(CN2CC3(C2)CC(F)(F)C3)cc1 ZINC000612110462 351776705 /nfs/dbraw/zinc/77/67/05/351776705.db2.gz OIHXWXYYGOYQID-UHFFFAOYSA-N 0 1 262.303 2.984 20 30 CFEDMN C[C@@H](c1cccc(C#N)c1)N1CCC(F)(F)[C@H](CO)C1 ZINC000291950938 198115556 /nfs/dbraw/zinc/11/55/56/198115556.db2.gz UPMXCMYGVZQPOD-FZMZJTMJSA-N 0 1 280.318 2.569 20 30 CFEDMN CC(C)N1CCN(c2nc(C(C)(C)C)ccc2C#N)CC1 ZINC000613411269 351953105 /nfs/dbraw/zinc/95/31/05/351953105.db2.gz CKCFKWBDUGSIPY-UHFFFAOYSA-N 0 1 286.423 2.781 20 30 CFEDMN C[C@@H]1[C@@H](C)N(c2nc(C(C)(C)C)ccc2C#N)CCN1C ZINC000613430974 351958479 /nfs/dbraw/zinc/95/84/79/351958479.db2.gz JOMSPOMNSVTALJ-CHWSQXEVSA-N 0 1 286.423 2.780 20 30 CFEDMN C=C(C)[C@@H](CC(=O)Nc1n[nH]c2cc(O)ccc21)OCC ZINC000615137389 352159491 /nfs/dbraw/zinc/15/94/91/352159491.db2.gz HRBLIHRRBSULAX-CYBMUJFWSA-N 0 1 289.335 2.578 20 30 CFEDMN C=CCC1(NC(=O)[C@H]2CCCc3n[nH]nc32)CCCCC1 ZINC000615961975 352267593 /nfs/dbraw/zinc/26/75/93/352267593.db2.gz VFQJFPRQFKKROR-LBPRGKRZSA-N 0 1 288.395 2.620 20 30 CFEDMN CC(=O)Nc1cccc2c1CCN([C@@H](C)CCC#N)C2 ZINC000616014926 352273627 /nfs/dbraw/zinc/27/36/27/352273627.db2.gz VULJQNYRIYNJRJ-LBPRGKRZSA-N 0 1 271.364 2.695 20 30 CFEDMN C#CCOc1ccccc1CN[C@H](C)c1cnc(C)nc1C ZINC000271492522 191171865 /nfs/dbraw/zinc/17/18/65/191171865.db2.gz PFCCNPVGZHHLOW-CYBMUJFWSA-N 0 1 295.386 2.956 20 30 CFEDMN C=CC[C@@H]1CCCC[C@H]1NC(=O)c1ccc2[nH]nnc2c1 ZINC000617038522 352474838 /nfs/dbraw/zinc/47/48/38/352474838.db2.gz YLQSWODNTBHUJC-DGCLKSJQSA-N 0 1 284.363 2.823 20 30 CFEDMN C=CC[C@@H]1CCCC[C@@H]1NC(=O)CN(C)[C@H]1CCSC1 ZINC000617041639 352476657 /nfs/dbraw/zinc/47/66/57/352476657.db2.gz GYYBZWHVIHTRGV-ILXRZTDVSA-N 0 1 296.480 2.675 20 30 CFEDMN N#Cc1ccccc1CN1CCOC[C@H](C2CCC2)C1 ZINC000292106771 198165361 /nfs/dbraw/zinc/16/53/61/198165361.db2.gz IOQMABCSUDQJCR-QGZVFWFLSA-N 0 1 270.376 2.807 20 30 CFEDMN C=CCN(C(=O)c1cccc2[nH]c(C)nc21)[C@H](C)COC ZINC000617582777 352597652 /nfs/dbraw/zinc/59/76/52/352597652.db2.gz VDKGOCDZKHVRBP-LLVKDONJSA-N 0 1 287.363 2.534 20 30 CFEDMN C[C@H](N[C@@H](C)c1cccc(C#N)c1)c1ccnn1C ZINC000618570168 352812870 /nfs/dbraw/zinc/81/28/70/352812870.db2.gz VSVLUHIVEQHKEX-RYUDHWBXSA-N 0 1 254.337 2.704 20 30 CFEDMN N#C[C@H]1CCC[C@H](NC2(C(=O)Nc3ccccc3)CC2)C1 ZINC000618578542 352817213 /nfs/dbraw/zinc/81/72/13/352817213.db2.gz COYHGYYRMXOBMQ-ZFWWWQNUSA-N 0 1 283.375 2.830 20 30 CFEDMN N#C[C@@H]1CCC[C@H](NC2(C(=O)Nc3ccccc3)CC2)C1 ZINC000618578527 352817368 /nfs/dbraw/zinc/81/73/68/352817368.db2.gz COYHGYYRMXOBMQ-HIFRSBDPSA-N 0 1 283.375 2.830 20 30 CFEDMN N#Cc1ccc(CN[C@@H]2CCc3cc(C#N)ccc32)o1 ZINC000618742323 352875923 /nfs/dbraw/zinc/87/59/23/352875923.db2.gz WHUCVZZTZDFGQB-MRXNPFEDSA-N 0 1 263.300 2.800 20 30 CFEDMN C[C@@H](N[C@H]1CCc2cc(C#N)ccc21)c1ccnn1C ZINC000618804792 352883933 /nfs/dbraw/zinc/88/39/33/352883933.db2.gz CUIJDZZEURHUMF-ABAIWWIYSA-N 0 1 266.348 2.630 20 30 CFEDMN Cc1nn(C)cc1CNCc1ccc(C#N)c(Cl)c1 ZINC000619748596 353063585 /nfs/dbraw/zinc/06/35/85/353063585.db2.gz OLLQCQAIQHSWED-UHFFFAOYSA-N 0 1 274.755 2.543 20 30 CFEDMN N#Cc1ccc(CNCc2ccccn2)cc1Cl ZINC000619748913 353063756 /nfs/dbraw/zinc/06/37/56/353063756.db2.gz RUYLKJNYLOLMRP-UHFFFAOYSA-N 0 1 257.724 2.896 20 30 CFEDMN C[C@@H](NCC(=O)Nc1ccc(C#N)cc1)c1ccsc1 ZINC000619783409 353066845 /nfs/dbraw/zinc/06/68/45/353066845.db2.gz RNKRRAZNGRAENH-LLVKDONJSA-N 0 1 285.372 2.909 20 30 CFEDMN C[C@@]1(C#N)CCC[N@@H+](CCCC2(C#N)CCOCC2)C1 ZINC000619621201 353041312 /nfs/dbraw/zinc/04/13/12/353041312.db2.gz JDSXMIPWOHKIBT-HNNXBMFYSA-N 0 1 275.396 2.713 20 30 CFEDMN C[C@@]1(C#N)CCCN(CCCC2(C#N)CCOCC2)C1 ZINC000619621201 353041313 /nfs/dbraw/zinc/04/13/13/353041313.db2.gz JDSXMIPWOHKIBT-HNNXBMFYSA-N 0 1 275.396 2.713 20 30 CFEDMN C=C(C)CN(CC)[C@@H]1CCN(c2sccc2C#N)C1=O ZINC000152518189 188024892 /nfs/dbraw/zinc/02/48/92/188024892.db2.gz QYEHCGNOBDWROM-CYBMUJFWSA-N 0 1 289.404 2.623 20 30 CFEDMN C=CCC[C@@H](O)CN(C)Cc1nc2ccccc2o1 ZINC000153807616 188104359 /nfs/dbraw/zinc/10/43/59/188104359.db2.gz SYRMNDFXOCUXON-GFCCVEGCSA-N 0 1 260.337 2.587 20 30 CFEDMN CC(C)(C)c1nc(CSc2cc(C#N)ccn2)n[nH]1 ZINC000292431736 198286036 /nfs/dbraw/zinc/28/60/36/198286036.db2.gz LTBSJKSZKIJSEM-UHFFFAOYSA-N 0 1 273.365 2.661 20 30 CFEDMN C#Cc1cccc(N(C)Cc2n[nH]c(C(C)C)n2)c1 ZINC000292421811 198283024 /nfs/dbraw/zinc/28/30/24/198283024.db2.gz LETMHJZQYRZSLG-UHFFFAOYSA-N 0 1 254.337 2.546 20 30 CFEDMN CC#CCCCC(=O)NC[C@@H]1CCN1Cc1ccccc1 ZINC000620774031 353231137 /nfs/dbraw/zinc/23/11/37/353231137.db2.gz WSENEBLJMSQWHM-KRWDZBQOSA-N 0 1 284.403 2.571 20 30 CFEDMN C=CCCC(C)(C)NC(=O)c1[nH]nc2c1CCCC2 ZINC000620863207 353242469 /nfs/dbraw/zinc/24/24/69/353242469.db2.gz JVEZZIDBCNBTDN-UHFFFAOYSA-N 0 1 261.369 2.763 20 30 CFEDMN C=C[C@@H](CC(=O)N1CCN(CC2CC2)CC1)c1ccccc1 ZINC000156122387 188244060 /nfs/dbraw/zinc/24/40/60/188244060.db2.gz PVWZUVSCMZFDQI-KRWDZBQOSA-N 0 1 298.430 2.901 20 30 CFEDMN CN(CCc1nccs1)Cc1cc(C#N)ccc1F ZINC000157991708 188352159 /nfs/dbraw/zinc/35/21/59/188352159.db2.gz WXZVVEBGDWGMES-UHFFFAOYSA-N 0 1 275.352 2.828 20 30 CFEDMN C=CCN(CC=C)CCOc1ccc(C#N)cc1OC ZINC000158169946 188361874 /nfs/dbraw/zinc/36/18/74/188361874.db2.gz BQVYGCQVPYQMBJ-UHFFFAOYSA-N 0 1 272.348 2.620 20 30 CFEDMN N#Cc1ccc(F)cc1CN1CC[C@@H](O)C12CCCC2 ZINC000292740195 198395062 /nfs/dbraw/zinc/39/50/62/198395062.db2.gz NDJYXFYJMWDUNN-OAHLLOKOSA-N 0 1 274.339 2.577 20 30 CFEDMN C=CCOCCN[C@H](C)c1cc(-c2ccccc2)n(C)n1 ZINC000623957222 353769160 /nfs/dbraw/zinc/76/91/60/353769160.db2.gz AWZPCXGSFRCEPR-CQSZACIVSA-N 0 1 285.391 2.940 20 30 CFEDMN C=C[C@@H]1OCCC[C@H]1N[C@@H](C)c1nc(C)cs1 ZINC000623994747 353778656 /nfs/dbraw/zinc/77/86/56/353778656.db2.gz BOZFJJMOCAKKNO-TUAOUCFPSA-N 0 1 252.383 2.836 20 30 CFEDMN C=CC[C@@H]1CC[N@H+](CC(=O)N(CC)Cc2ccccc2)C1 ZINC000625699392 354088319 /nfs/dbraw/zinc/08/83/19/354088319.db2.gz DOODEUHMNOXAIC-MRXNPFEDSA-N 0 1 286.419 2.933 20 30 CFEDMN C=CC[C@H]1CCN(Cc2nnc(C3CC3)n2C2CC2)C1 ZINC000625700613 354089471 /nfs/dbraw/zinc/08/94/71/354089471.db2.gz CWIJSMIWURACAN-LBPRGKRZSA-N 0 1 272.396 2.888 20 30 CFEDMN C=CC[C@@H]1CCN(CC(=O)Nc2ccc(F)c(F)c2)C1 ZINC000625702256 354090042 /nfs/dbraw/zinc/09/00/42/354090042.db2.gz WBSRSNUYOLPWMX-LLVKDONJSA-N 0 1 280.318 2.801 20 30 CFEDMN C=CCN(CC=C)C(=O)[C@@H](C)N1CCCC(F)(F)CC1 ZINC000625766980 354103642 /nfs/dbraw/zinc/10/36/42/354103642.db2.gz CSUCEQJKBUYLTG-CYBMUJFWSA-N 0 1 286.366 2.697 20 30 CFEDMN C=CC[C@@H]1CCN(Cc2c(C)nc3sc(C)nn23)C1 ZINC000628405203 354579456 /nfs/dbraw/zinc/57/94/56/354579456.db2.gz GKFIEIZGHAQYIO-GFCCVEGCSA-N 0 1 276.409 2.806 20 30 CFEDMN C=CC[C@H]1CCN(Cc2cn(-c3ccc(F)cc3)nn2)C1 ZINC000628406949 354580402 /nfs/dbraw/zinc/58/04/02/354580402.db2.gz VKTXRASKORAFQD-ZDUSSCGKSA-N 0 1 286.354 2.804 20 30 CFEDMN C=CCOc1ccccc1C[N@H+]1CC[C@@H](C(=O)[O-])[C@@H](C)C1 ZINC000629772845 354927899 /nfs/dbraw/zinc/92/78/99/354927899.db2.gz YEKZPKCPAZAFQU-DZGCQCFKSA-N 0 1 289.375 2.794 20 30 CFEDMN C=C1CCN(C(=O)c2cc(-c3ccccc3O)[nH]n2)CC1 ZINC000629958254 354962999 /nfs/dbraw/zinc/96/29/99/354962999.db2.gz QBPUZKVUBPOLKJ-UHFFFAOYSA-N 0 1 283.331 2.575 20 30 CFEDMN C=C[C@H]1CCCCN1C(=O)c1cc(-c2ccccc2O)[nH]n1 ZINC000629987168 354975968 /nfs/dbraw/zinc/97/59/68/354975968.db2.gz IWWMJHGJCXLJHF-LBPRGKRZSA-N 0 1 297.358 2.963 20 30 CFEDMN COCC#CCN1CCC[C@@H]1/C=C\c1ccccc1 ZINC000679545004 540085407 /nfs/dbraw/zinc/08/54/07/540085407.db2.gz JLWPNBUFZYYWRB-WFTPILKQSA-N 0 1 255.361 2.814 20 30 CFEDMN N#Cc1c(Cl)nsc1N1CC[C@@H](N2CCCCC2)C1 ZINC000264614942 283074180 /nfs/dbraw/zinc/07/41/80/283074180.db2.gz QJNCDCLNCONADW-SNVBAGLBSA-N 0 1 296.827 2.733 20 30 CFEDMN N#Cc1c(Cl)nsc1N1CC[C@H](N2CCCCC2)C1 ZINC000264614940 283074206 /nfs/dbraw/zinc/07/42/06/283074206.db2.gz QJNCDCLNCONADW-JTQLQIEISA-N 0 1 296.827 2.733 20 30 CFEDMN C=CCOc1cccc(CN[C@H](C)[C@@H](O)C(F)(F)F)c1 ZINC000631232725 355364447 /nfs/dbraw/zinc/36/44/47/355364447.db2.gz UOGGAHAFAIHOGC-ZWNOBZJWSA-N 0 1 289.297 2.653 20 30 CFEDMN N#Cc1cnc(CN2CCC[C@H]2C2CCCC2)nc1 ZINC000331767383 283230094 /nfs/dbraw/zinc/23/00/94/283230094.db2.gz BFXVAEQGWFLJOV-AWEZNQCLSA-N 0 1 256.353 2.503 20 30 CFEDMN CC#CCCCC(=O)N1CCC(c2cc(C)[nH]n2)CC1 ZINC000274540727 192641796 /nfs/dbraw/zinc/64/17/96/192641796.db2.gz SJLNOHZZGFFXIC-UHFFFAOYSA-N 0 1 273.380 2.618 20 30 CFEDMN Cc1cnccc1CN(C)Cc1ccc(C#N)cc1 ZINC000294517007 199069723 /nfs/dbraw/zinc/06/97/23/199069723.db2.gz DUOAWVQXKHDLBZ-UHFFFAOYSA-N 0 1 251.333 2.894 20 30 CFEDMN C=CCC(C)(C)C(=O)Nc1ncc(C(F)(F)F)[nH]1 ZINC000294843748 199209158 /nfs/dbraw/zinc/20/91/58/199209158.db2.gz FNFZXBOVEADSMD-UHFFFAOYSA-N 0 1 261.247 2.969 20 30 CFEDMN C=CCOc1cccc(CNCc2n[nH]c(C3CC3)n2)c1 ZINC000294937265 199259194 /nfs/dbraw/zinc/25/91/94/199259194.db2.gz ZYKFIYYBABUNQO-UHFFFAOYSA-N 0 1 284.363 2.537 20 30 CFEDMN C=CCN(CCc1ccco1)C(=O)c1cc(CCC)[nH]n1 ZINC000679325682 540607577 /nfs/dbraw/zinc/60/75/77/540607577.db2.gz CZORBTOGNDVLJV-UHFFFAOYSA-N 0 1 287.363 2.826 20 30 CFEDMN CCC#C[C@H](C)N[C@H](C)c1ccc(S(=O)(=O)CC)cc1 ZINC000671256277 540609795 /nfs/dbraw/zinc/60/97/95/540609795.db2.gz VTTMECNXKAZASS-UONOGXRCSA-N 0 1 293.432 2.933 20 30 CFEDMN C=C(C)CN(CC)C(=O)CN[C@H](C)c1ccsc1 ZINC000669938736 540622374 /nfs/dbraw/zinc/62/23/74/540622374.db2.gz WOYRJVVBVGGRGS-GFCCVEGCSA-N 0 1 266.410 2.823 20 30 CFEDMN C=CCC[C@@H](O)CN1CC[C@@](F)(c2ccccc2)C1 ZINC000669943033 540624310 /nfs/dbraw/zinc/62/43/10/540624310.db2.gz SZQQRAPGTYNPJN-CVEARBPZSA-N 0 1 263.356 2.884 20 30 CFEDMN N#Cc1ccc(CNCc2ccc(N3CCCC3)nc2)s1 ZINC000176946245 189016586 /nfs/dbraw/zinc/01/65/86/189016586.db2.gz CXTOEWNVQSVFLP-UHFFFAOYSA-N 0 1 298.415 2.905 20 30 CFEDMN C=CCC1(C(=O)Nc2cc(N(C)C)ccn2)CCC1 ZINC000682933524 540730084 /nfs/dbraw/zinc/73/00/84/540730084.db2.gz AGBYGGVDAGDKOR-UHFFFAOYSA-N 0 1 259.353 2.833 20 30 CFEDMN N#Cc1ccc([C@H](O)CN(Cc2ccccn2)C2CC2)cc1 ZINC000177987334 189083550 /nfs/dbraw/zinc/08/35/50/189083550.db2.gz IQGKHTBNSYQKMX-GOSISDBHSA-N 0 1 293.370 2.651 20 30 CFEDMN C[C@@H](C(=O)Nc1cccc(C#Cc2ccccc2)c1)N(C)C ZINC000674244964 540788568 /nfs/dbraw/zinc/78/85/68/540788568.db2.gz VBUHPEJVLAWQTG-HNNXBMFYSA-N 0 1 292.382 2.975 20 30 CFEDMN C=CCSCCN[C@H](C(=O)NC1CC1)c1ccccc1 ZINC000180218459 189244645 /nfs/dbraw/zinc/24/46/45/189244645.db2.gz JWZYUFZYTDNVOH-HNNXBMFYSA-N 0 1 290.432 2.515 20 30 CFEDMN N#Cc1ccccc1OCCN(Cc1ccccn1)C1CC1 ZINC000180855733 189279697 /nfs/dbraw/zinc/27/96/97/189279697.db2.gz PXPSNLLOMJHSHO-UHFFFAOYSA-N 0 1 293.370 2.997 20 30 CFEDMN CN1CC[C@H](Nc2ncccc2C#N)[C@H]1c1ccc(F)cc1 ZINC000301853865 201234182 /nfs/dbraw/zinc/23/41/82/201234182.db2.gz QKFFPDWWJXTVFD-JKSUJKDBSA-N 0 1 296.349 2.950 20 30 CFEDMN C=CCN(CCOC)Cc1cc(COC)cs1 ZINC000668054840 541375783 /nfs/dbraw/zinc/37/57/83/541375783.db2.gz INGMHGCQEBAZTL-UHFFFAOYSA-N 0 1 255.383 2.529 20 30 CFEDMN CCOC(=O)CC1(NCc2ccccc2C#N)CCCC1 ZINC000434612721 240249706 /nfs/dbraw/zinc/24/97/06/240249706.db2.gz VTDDGXONPBFBQT-UHFFFAOYSA-N 0 1 286.375 2.914 20 30 CFEDMN CCOc1ncccc1CNCc1ccc(C#N)c(C)c1 ZINC000443987255 241102851 /nfs/dbraw/zinc/10/28/51/241102851.db2.gz MBTZNYFJDKZYBR-UHFFFAOYSA-N 0 1 281.359 2.950 20 30 CFEDMN CC(C)[C@@H]1CCCN(CC(=O)Nc2ccc(C#N)cc2)C1 ZINC000444774120 241190296 /nfs/dbraw/zinc/19/02/96/241190296.db2.gz VAHJSKZGPMIPPO-OAHLLOKOSA-N 0 1 285.391 2.865 20 30 CFEDMN CN(Cc1cc(C#N)n(C)c1)Cc1cc(C(C)(C)C)[nH]n1 ZINC000447092470 241353334 /nfs/dbraw/zinc/35/33/34/241353334.db2.gz ZTCFWPBBFKOKRJ-UHFFFAOYSA-N 0 1 285.395 2.549 20 30 CFEDMN CO[C@@H]1C[C@H](N(C)Cc2ccc(C#N)o2)C12CCC2 ZINC000449628012 242076010 /nfs/dbraw/zinc/07/60/10/242076010.db2.gz BKDBUCPVNHXXOQ-UONOGXRCSA-N 0 1 260.337 2.541 20 30 CFEDMN COC[C@@H]1CCCCN1Cc1ccc(C#N)s1 ZINC000449758958 242141564 /nfs/dbraw/zinc/14/15/64/242141564.db2.gz IJEMCQIWOJZNKM-NSHDSACASA-N 0 1 250.367 2.621 20 30 CFEDMN Cc1cc(C[C@@H](C)Nc2cccc(C#N)c2[N+](=O)[O-])[nH]n1 ZINC000450396233 242395888 /nfs/dbraw/zinc/39/58/88/242395888.db2.gz STMGYYLYSFYSTH-SECBINFHSA-N 0 1 285.307 2.541 20 30 CFEDMN C=C[C@@](C)(CC)C(=O)N[C@@H](C)c1n[nH]c(C(C)C)n1 ZINC000275925002 193163597 /nfs/dbraw/zinc/16/35/97/193163597.db2.gz BJFADPIPONVUKF-HZMBPMFUSA-N 0 1 264.373 2.708 20 30 CFEDMN N#Cc1cccc(CN2CCCC[C@@H]2CC(N)=O)c1F ZINC000330641038 203068494 /nfs/dbraw/zinc/06/84/94/203068494.db2.gz ILUBLNASAIIMOV-CYBMUJFWSA-N 0 1 275.327 2.977 20 30 CFEDMN C=C[C@@](C)(CC)C(=O)Nc1ccn(-c2ccncc2)n1 ZINC000276048632 193197686 /nfs/dbraw/zinc/19/76/86/193197686.db2.gz XLVPUVOOTPEHQN-HNNXBMFYSA-N 0 1 270.336 2.808 20 30 CFEDMN C=CCCCCCN[C@@H](c1nnc[nH]1)c1cccnc1 ZINC000574338946 335012211 /nfs/dbraw/zinc/01/22/11/335012211.db2.gz HPQRZMBVOSSPSK-CQSZACIVSA-N 0 1 271.368 2.625 20 30 CFEDMN CCN1CCCC[C@H]1C(=O)Nc1cc(C)cc(C#N)c1 ZINC000456933177 244329808 /nfs/dbraw/zinc/32/98/08/244329808.db2.gz BCYTXQVHCWCDQB-HNNXBMFYSA-N 0 1 271.364 2.680 20 30 CFEDMN C=CCCN(C)C(=O)c1c[nH]c2c(C)cccc2c1=O ZINC000276182036 193235242 /nfs/dbraw/zinc/23/52/42/193235242.db2.gz ASGKSEBGVYGXHM-UHFFFAOYSA-N 0 1 270.332 2.897 20 30 CFEDMN C#CCN(CCc1ccnn1CC)Cc1ccc(F)cc1 ZINC000276293488 193275370 /nfs/dbraw/zinc/27/53/70/193275370.db2.gz IGIVEWDSMMKRGO-UHFFFAOYSA-N 0 1 285.366 2.720 20 30 CFEDMN C=CCN(CCc1ccnn1C)Cc1ccccc1F ZINC000276363485 193301041 /nfs/dbraw/zinc/30/10/41/193301041.db2.gz ZGNZMHDVTDNZNG-UHFFFAOYSA-N 0 1 273.355 2.790 20 30 CFEDMN C=CCCN(C)CC(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000276438835 193331159 /nfs/dbraw/zinc/33/11/59/193331159.db2.gz OINMVWXKIAFMNL-UHFFFAOYSA-N 0 1 297.742 2.695 20 30 CFEDMN C=C(C)[C@H](CO)Sc1nc2ccc(OC)cc2[nH]1 ZINC000677130434 541825327 /nfs/dbraw/zinc/82/53/27/541825327.db2.gz FRDHPKIEHVWECJ-LBPRGKRZSA-N 0 1 264.350 2.601 20 30 CFEDMN C=C(C)[C@H](CO)Sc1nc(-c2cc(F)cc(F)c2)n[nH]1 ZINC000677132534 541825832 /nfs/dbraw/zinc/82/58/32/541825832.db2.gz CUQSWKBGJFQKDG-NSHDSACASA-N 0 1 297.330 2.779 20 30 CFEDMN N#Cc1ccc(CN2CCN(Cc3ccccc3)CC2)cc1 ZINC000020027661 372219778 /nfs/dbraw/zinc/21/97/78/372219778.db2.gz WQPLCBHHGVGUJT-UHFFFAOYSA-N 0 1 291.398 2.876 20 30 CFEDMN C=C(C)CN(CC)C(=O)[C@@H](C)Sc1nc(C2CC2)n[nH]1 ZINC000028759477 372369319 /nfs/dbraw/zinc/36/93/19/372369319.db2.gz QJTDQTAYLVRZDV-SNVBAGLBSA-N 0 1 294.424 2.587 20 30 CFEDMN C=C(C)CN(CC)C(=O)[C@@H](C)Sc1n[nH]c(C2CC2)n1 ZINC000028759477 372369326 /nfs/dbraw/zinc/36/93/26/372369326.db2.gz QJTDQTAYLVRZDV-SNVBAGLBSA-N 0 1 294.424 2.587 20 30 CFEDMN CCC[C@H](C)N(C)CC(=O)Nc1ccc(C#N)cc1 ZINC000030269519 372391128 /nfs/dbraw/zinc/39/11/28/372391128.db2.gz DQMPKTMVPWGKLZ-LBPRGKRZSA-N 0 1 259.353 2.617 20 30 CFEDMN CCc1cccc(OCCN2CCC(C#N)CC2)c1 ZINC000032110724 372429279 /nfs/dbraw/zinc/42/92/79/372429279.db2.gz BHGYRYVJSCJIEK-UHFFFAOYSA-N 0 1 258.365 2.863 20 30 CFEDMN C=CCC[C@H](O)CN1CCN(c2ccccc2Cl)CC1 ZINC000033629726 372498139 /nfs/dbraw/zinc/49/81/39/372498139.db2.gz JAVZWEVEIHSLTK-AWEZNQCLSA-N 0 1 294.826 2.789 20 30 CFEDMN CCCN1CCN(c2c(C#N)cnc3ccccc32)CC1 ZINC000036913244 372610377 /nfs/dbraw/zinc/61/03/77/372610377.db2.gz DFUXIKATEJTUQC-UHFFFAOYSA-N 0 1 280.375 2.638 20 30 CFEDMN C[C@@H](N[C@@H](C)C(=O)NC1CCCC1)c1ccc(C#N)cc1 ZINC000037749626 372698730 /nfs/dbraw/zinc/69/87/30/372698730.db2.gz JNJLBZCQDYXSGV-OLZOCXBDSA-N 0 1 285.391 2.656 20 30 CFEDMN C[C@H](NCC(=O)NC1CCCCC1)c1ccc(C#N)cc1 ZINC000037749617 372698815 /nfs/dbraw/zinc/69/88/15/372698815.db2.gz NDOBZJSFAWJXER-ZDUSSCGKSA-N 0 1 285.391 2.658 20 30 CFEDMN C[C@@H](N[C@@H](C)c1ccc(C#N)cc1)C(=O)NC1CCCC1 ZINC000037749627 372698857 /nfs/dbraw/zinc/69/88/57/372698857.db2.gz JNJLBZCQDYXSGV-QWHCGFSZSA-N 0 1 285.391 2.656 20 30 CFEDMN C[C@H](NCc1ccc(C#N)cc1)C(=O)Nc1ccccc1 ZINC000037749238 372696128 /nfs/dbraw/zinc/69/61/28/372696128.db2.gz QINAESRCLKDIPW-ZDUSSCGKSA-N 0 1 279.343 2.675 20 30 CFEDMN N#C[C@H](C(=O)[C@H]1CC[C@H]1c1ccc(F)cc1)c1ccncn1 ZINC000528988319 383684930 /nfs/dbraw/zinc/68/49/30/383684930.db2.gz VCKKJKRRABJEND-KKUMJFAQSA-N 0 1 295.317 2.986 20 30 CFEDMN Cc1ccoc1C(=O)C(C#N)c1nc2ccccc2[nH]1 ZINC000041495813 372844145 /nfs/dbraw/zinc/84/41/45/372844145.db2.gz OIPNOJUPYLTDGS-SNVBAGLBSA-N 0 1 265.272 2.954 20 30 CFEDMN Cc1csc(C(C#N)C(=O)c2cccc([N+](=O)[O-])c2)n1 ZINC000041520576 372846394 /nfs/dbraw/zinc/84/63/94/372846394.db2.gz IOEVZIHWOMVBAP-NSHDSACASA-N 0 1 287.300 2.850 20 30 CFEDMN Cc1csc([C@@H](C#N)C(=O)c2cccc([N+](=O)[O-])c2)n1 ZINC000041520576 372846404 /nfs/dbraw/zinc/84/64/04/372846404.db2.gz IOEVZIHWOMVBAP-NSHDSACASA-N 0 1 287.300 2.850 20 30 CFEDMN Cc1cccc(N(CCC#N)C(=O)CN2CC[C@H](C)C2)c1C ZINC000263661334 383686078 /nfs/dbraw/zinc/68/60/78/383686078.db2.gz DPXUZKQRSMOYOB-AWEZNQCLSA-N 0 1 299.418 2.892 20 30 CFEDMN CCN(CCCOc1cccc(C#N)c1)C[C@@H](C)C#N ZINC000042447147 372924584 /nfs/dbraw/zinc/92/45/84/372924584.db2.gz MGHYDXFGHRJTGO-AWEZNQCLSA-N 0 1 271.364 2.809 20 30 CFEDMN N#Cc1ccc(CN2CCCSCC2)c(F)c1 ZINC000042443870 372924987 /nfs/dbraw/zinc/92/49/87/372924987.db2.gz ZSYIBQBYMGOPRB-UHFFFAOYSA-N 0 1 250.342 2.636 20 30 CFEDMN C=CCSCCNCc1cn(-c2ccccc2C)nn1 ZINC000289879002 197515610 /nfs/dbraw/zinc/51/56/10/197515610.db2.gz XAEXVOJYIWNGMY-UHFFFAOYSA-N 0 1 288.420 2.585 20 30 CFEDMN N#Cc1c(F)cccc1CN1CC[C@@H]2C[C@H](O)CC[C@@H]2C1 ZINC000451704698 383687202 /nfs/dbraw/zinc/68/72/02/383687202.db2.gz XLNZECLPXVURTP-UMVBOHGHSA-N 0 1 288.366 2.680 20 30 CFEDMN CC[C@H](C)c1nc([C@H](C)NC(=O)C(C#N)(CC)CC)n[nH]1 ZINC000529158546 383687579 /nfs/dbraw/zinc/68/75/79/383687579.db2.gz AWBFLRCXCDZXPW-QWRGUYRKSA-N 0 1 291.399 2.825 20 30 CFEDMN CC(C)c1ccc(CN2CCN(CCC#N)CC2)cc1 ZINC000046171489 373045539 /nfs/dbraw/zinc/04/55/39/373045539.db2.gz MRRNCIFFXMMWEC-UHFFFAOYSA-N 0 1 271.408 2.841 20 30 CFEDMN CN(CCC(=O)N(C)CCC#N)Cc1ccccc1Cl ZINC000048878838 373229686 /nfs/dbraw/zinc/22/96/86/373229686.db2.gz RFDJOLOFPJZBDW-UHFFFAOYSA-N 0 1 293.798 2.534 20 30 CFEDMN N#CCCCCN1CCN(Cc2cccs2)CC1 ZINC000057620987 373604214 /nfs/dbraw/zinc/60/42/14/373604214.db2.gz COBFSSSORSLWHL-UHFFFAOYSA-N 0 1 263.410 2.560 20 30 CFEDMN Cc1cc(SCCN2C[C@H]3CC[C@@H](C2)O3)ccc1C#N ZINC000571444164 383694509 /nfs/dbraw/zinc/69/45/09/383694509.db2.gz HBJREEYRNHXLMG-GASCZTMLSA-N 0 1 288.416 2.822 20 30 CFEDMN C=CCOc1cccc(NC(=O)c2cn[nH]c2C)c1 ZINC000064312727 373821227 /nfs/dbraw/zinc/82/12/27/373821227.db2.gz YKNFSKUBVJXTAK-UHFFFAOYSA-N 0 1 257.293 2.535 20 30 CFEDMN C=CCN1CCCC[C@H]1CNC(=O)OC(C)(C)C ZINC000065237447 373850999 /nfs/dbraw/zinc/85/09/99/373850999.db2.gz UOLPSXLFFZCVCV-LBPRGKRZSA-N 0 1 254.374 2.552 20 30 CFEDMN C#CCN1CCC(C(=O)N2CCC[C@H]2C2CCCC2)CC1 ZINC000066921567 373963116 /nfs/dbraw/zinc/96/31/16/373963116.db2.gz MJQNWHLWXWZIQT-KRWDZBQOSA-N 0 1 288.435 2.513 20 30 CFEDMN C#CCN1CCC(C(=O)N(C)c2cccc(C)c2C)CC1 ZINC000067210836 373972839 /nfs/dbraw/zinc/97/28/39/373972839.db2.gz DCZYKHAWSMIFBM-UHFFFAOYSA-N 0 1 284.403 2.611 20 30 CFEDMN CC[C@H](C)N(C)CC(=O)N(CCC#N)c1ccccc1 ZINC000068449594 374030538 /nfs/dbraw/zinc/03/05/38/374030538.db2.gz GYTKEUNZHAXBLN-AWEZNQCLSA-N 0 1 273.380 2.664 20 30 CFEDMN C#Cc1ccc(CN(CCOC)Cc2cccnc2)cc1 ZINC000289519501 197387732 /nfs/dbraw/zinc/38/77/32/197387732.db2.gz VHBILBLYWYCBER-UHFFFAOYSA-N 0 1 280.371 2.712 20 30 CFEDMN C[C@@H]1CCCN(CC(=O)N(CCC#N)c2ccccc2)C1 ZINC000069874692 374105388 /nfs/dbraw/zinc/10/53/88/374105388.db2.gz DUXWIUHDMABEII-OAHLLOKOSA-N 0 1 285.391 2.665 20 30 CFEDMN COCC#CCNC1(c2cccc(C(F)(F)F)c2)CC1 ZINC000677818605 541909653 /nfs/dbraw/zinc/90/96/53/541909653.db2.gz CWJBLJRSUXEKKG-UHFFFAOYSA-N 0 1 283.293 2.934 20 30 CFEDMN C[C@@H]1CCC[C@H](C)N1CC(=O)N(C)C1(C#N)CCCCC1 ZINC000075021107 374456172 /nfs/dbraw/zinc/45/61/72/374456172.db2.gz AFDCQJYJHHHOGA-GASCZTMLSA-N 0 1 291.439 2.934 20 30 CFEDMN C=C(C)CN(CC)C(=O)CN(C)CCc1cccs1 ZINC000075966007 374514585 /nfs/dbraw/zinc/51/45/85/374514585.db2.gz GBHNKBFHWKRFMI-UHFFFAOYSA-N 0 1 280.437 2.647 20 30 CFEDMN C=CCc1cc(CNCc2ccccn2)cc(OC)c1O ZINC000076274865 374543671 /nfs/dbraw/zinc/54/36/71/374543671.db2.gz KTNHZPXSLRODJX-UHFFFAOYSA-N 0 1 284.359 2.814 20 30 CFEDMN C=CCCCN(C)CC(=O)Nc1ccccc1OC ZINC000076738178 374556455 /nfs/dbraw/zinc/55/64/55/374556455.db2.gz DEYWMZKSVBZGLS-UHFFFAOYSA-N 0 1 262.353 2.532 20 30 CFEDMN O=C(Nc1nc(-c2ccco2)n[nH]1)[C@@H]1Cc2ccccc2O1 ZINC000076653315 374557410 /nfs/dbraw/zinc/55/74/10/374557410.db2.gz FOJVVYHGYYGAFT-LBPRGKRZSA-N 0 1 296.286 2.656 20 30 CFEDMN CCN(CCC#N)C(=O)CN(C)[C@@H](C)c1ccc(C)cc1 ZINC000077023513 374559750 /nfs/dbraw/zinc/55/97/50/374559750.db2.gz IECROBUKTMICEM-HNNXBMFYSA-N 0 1 287.407 2.750 20 30 CFEDMN CC(C)(C)CN(CCC#N)CCC(=O)N1CCCCC1 ZINC000078642955 374569123 /nfs/dbraw/zinc/56/91/23/374569123.db2.gz PKBJOOUUMUPFKN-UHFFFAOYSA-N 0 1 279.428 2.651 20 30 CFEDMN CCOC[C@@H]1CCN(Cc2ccc(C#N)cc2F)C1 ZINC000081521246 374702696 /nfs/dbraw/zinc/70/26/96/374702696.db2.gz RYVLGKGVJFGQRV-CYBMUJFWSA-N 0 1 262.328 2.556 20 30 CFEDMN COc1ccc(CN[C@@H](C)c2cccnc2)cc1C#N ZINC000087822537 374831073 /nfs/dbraw/zinc/83/10/73/374831073.db2.gz LVUZIEVQOYCQTM-LBPRGKRZSA-N 0 1 267.332 2.813 20 30 CFEDMN N#CCNC(=O)CN1CCCCC[C@H]1/C=C/c1ccccc1 ZINC000084868281 374792904 /nfs/dbraw/zinc/79/29/04/374792904.db2.gz ZUOUNFDERMBRSM-DVQDXYAYSA-N 0 1 297.402 2.584 20 30 CFEDMN C[C@H]1CC[C@H](C)N(CC(=O)Nc2cccc(C#N)c2)C1 ZINC000088704462 374858764 /nfs/dbraw/zinc/85/87/64/374858764.db2.gz HXINUHRRQUQQNS-STQMWFEESA-N 0 1 271.364 2.617 20 30 CFEDMN C[C@@H]1CC[C@H](C)N(CC(=O)Nc2cccc(C#N)c2)C1 ZINC000088704461 374859483 /nfs/dbraw/zinc/85/94/83/374859483.db2.gz HXINUHRRQUQQNS-OLZOCXBDSA-N 0 1 271.364 2.617 20 30 CFEDMN C=CCO[N-]C(=O)[C@H]1CCC[N@@H+]1Cc1ccc(Cl)cc1 ZINC000529469291 383705484 /nfs/dbraw/zinc/70/54/84/383705484.db2.gz QUYWDVMKCKRUDF-CQSZACIVSA-N 0 1 294.782 2.538 20 30 CFEDMN CCn1cncc1CN[C@H](C)c1ccc(C#N)cc1 ZINC000090170778 374996843 /nfs/dbraw/zinc/99/68/43/374996843.db2.gz HNQCQBLGAGVTJY-GFCCVEGCSA-N 0 1 254.337 2.625 20 30 CFEDMN CCc1nn(C)cc1CN[C@H](C)c1cccc(C#N)c1 ZINC000092409998 375110201 /nfs/dbraw/zinc/11/02/01/375110201.db2.gz QYHKRBQOXLGCDP-GFCCVEGCSA-N 0 1 268.364 2.705 20 30 CFEDMN CC(C)CO[C@H]1CCN(Cc2cc(C#N)cs2)C1 ZINC000091964696 375074993 /nfs/dbraw/zinc/07/49/93/375074993.db2.gz CRTBTHXWHIYWQY-ZDUSSCGKSA-N 0 1 264.394 2.867 20 30 CFEDMN CN(Cc1cc(C#N)cs1)C[C@H]1CCCCO1 ZINC000092428733 375111282 /nfs/dbraw/zinc/11/12/82/375111282.db2.gz APVHXCSAJRCTOP-GFCCVEGCSA-N 0 1 250.367 2.621 20 30 CFEDMN Cc1cccnc1CN(C)Cc1cccc(C#N)c1 ZINC000093158028 375193340 /nfs/dbraw/zinc/19/33/40/375193340.db2.gz XUQBNVHGFFQZNN-UHFFFAOYSA-N 0 1 251.333 2.894 20 30 CFEDMN CN(Cc1ccc(C#N)cc1)Cc1cc(O)ccc1[N+](=O)[O-] ZINC000507245874 247170041 /nfs/dbraw/zinc/17/00/41/247170041.db2.gz FIVJVZMUMLRXGM-UHFFFAOYSA-N 0 1 297.314 2.804 20 30 CFEDMN CCC#C[C@H](C)N1CCC[C@@H](c2nncn2C2CC2)C1 ZINC000678717900 542060994 /nfs/dbraw/zinc/06/09/94/542060994.db2.gz ASVYBGJUAGKGBO-UONOGXRCSA-N 0 1 272.396 2.594 20 30 CFEDMN N#C[C@H](NC(=O)c1n[nH]c2ccccc21)c1ccccc1F ZINC000108802296 375818196 /nfs/dbraw/zinc/81/81/96/375818196.db2.gz MPJROVVYDKSMGW-AWEZNQCLSA-N 0 1 294.289 2.697 20 30 CFEDMN COC(=O)CCN(CCCC#N)Cc1ccc(F)c(F)c1 ZINC000111255921 375835637 /nfs/dbraw/zinc/83/56/37/375835637.db2.gz UMNUNTDCFHDFFY-UHFFFAOYSA-N 0 1 296.317 2.634 20 30 CFEDMN N#Cc1ccsc1C(=O)Nc1cccc(-c2nnc[nH]2)c1 ZINC000114393611 376063358 /nfs/dbraw/zinc/06/33/58/376063358.db2.gz CULPTZAMBCLWPC-UHFFFAOYSA-N 0 1 295.327 2.657 20 30 CFEDMN C=CCCC(=O)NC[C@H]1CCC[N@H+]1Cc1ccccc1 ZINC000114643585 376076953 /nfs/dbraw/zinc/07/69/53/376076953.db2.gz ROWZJYUXMIQRKG-MRXNPFEDSA-N 0 1 272.392 2.733 20 30 CFEDMN CCCC(=O)N[C@@H]1CCCN([C@@H](C)c2ccc(C#N)cc2)C1 ZINC000118396480 376293471 /nfs/dbraw/zinc/29/34/71/376293471.db2.gz OTBPYKAHZKCQPV-WMLDXEAASA-N 0 1 299.418 3.000 20 30 CFEDMN CN(Cc1ccc(F)cc1C#N)[C@@H]1[C@@H]2CCO[C@@H]2C1(C)C ZINC000120121452 376549784 /nfs/dbraw/zinc/54/97/84/376549784.db2.gz DKPJDACUSAYALE-XHSDSOJGSA-N 0 1 288.366 2.943 20 30 CFEDMN CC[N@@H+](CC(=O)Nc1ccc(C#N)cc1)[C@@H](C)C(C)C ZINC000120264104 376581665 /nfs/dbraw/zinc/58/16/65/376581665.db2.gz XWMUNHBDUGNNLM-ZDUSSCGKSA-N 0 1 273.380 2.863 20 30 CFEDMN CN(CCc1ccccn1)Cc1ccc(C#N)s1 ZINC000120811255 376698433 /nfs/dbraw/zinc/69/84/33/376698433.db2.gz IIUDKEZHJNTJOQ-UHFFFAOYSA-N 0 1 257.362 2.689 20 30 CFEDMN N#CC(C(=O)c1ccn(C2CCCC2)n1)c1ccccn1 ZINC000121506047 376846241 /nfs/dbraw/zinc/84/62/41/376846241.db2.gz RFOOGSRWQYWHQH-CYBMUJFWSA-N 0 1 280.331 2.883 20 30 CFEDMN COc1cc(C#N)ccc1C[N@@H+](C)[C@H]1CCSC1 ZINC000121597123 376867047 /nfs/dbraw/zinc/86/70/47/376867047.db2.gz ZOKVRVPHVNVEIR-ZDUSSCGKSA-N 0 1 262.378 2.504 20 30 CFEDMN Cc1occc1C(=O)[C@H](C#N)c1nc2ccccc2n1C ZINC000122214197 376924759 /nfs/dbraw/zinc/92/47/59/376924759.db2.gz ZQRVHFUEVPYTBN-LBPRGKRZSA-N 0 1 279.299 2.965 20 30 CFEDMN Cc1occc1C(=O)C(C#N)c1nc2ccccc2n1C ZINC000122214197 376924761 /nfs/dbraw/zinc/92/47/61/376924761.db2.gz ZQRVHFUEVPYTBN-LBPRGKRZSA-N 0 1 279.299 2.965 20 30 CFEDMN C#C[C@@H](C)NCc1cc(Cl)c2c(c1)OCCCO2 ZINC000123010069 376945162 /nfs/dbraw/zinc/94/51/62/376945162.db2.gz SHHAKEZWBZZSBB-SNVBAGLBSA-N 0 1 265.740 2.613 20 30 CFEDMN N#Cc1ccc(N2CC[C@@H](N3CCC4(CCC4)C3)C2=O)cc1 ZINC000123145176 376948102 /nfs/dbraw/zinc/94/81/02/376948102.db2.gz NFTGFQLEJAOUCG-MRXNPFEDSA-N 0 1 295.386 2.540 20 30 CFEDMN C=CCC[C@@H](O)CN1C[C@@H](C)O[C@@H](c2ccccc2)C1 ZINC000123851068 376988307 /nfs/dbraw/zinc/98/83/07/376988307.db2.gz FSCODNZUXHOUEI-DJIMGWMZSA-N 0 1 275.392 2.776 20 30 CFEDMN C[C@]1(O)CCCN(CC#Cc2cccc(Cl)c2)C1 ZINC000124475995 377054732 /nfs/dbraw/zinc/05/47/32/377054732.db2.gz XUYWAPNUJDQINZ-HNNXBMFYSA-N 0 1 263.768 2.538 20 30 CFEDMN COc1ccc(C#N)cc1CN1CCS[C@@H](C)[C@H]1C ZINC000125245680 377133086 /nfs/dbraw/zinc/13/30/86/377133086.db2.gz HAGGXENIVFABFW-NEPJUHHUSA-N 0 1 276.405 2.893 20 30 CFEDMN CCCCc1nc(CON=C(N)C(C)C)cs1 ZINC000128438029 377337929 /nfs/dbraw/zinc/33/79/29/377337929.db2.gz GMPBLSFMPDHXAP-UHFFFAOYSA-N 0 1 255.387 2.931 20 30 CFEDMN C[C@H]1C[C@H](NC2CC(C#N)(c3ccccc3)C2)C[N@@H+]1C1CC1 ZINC000127603607 377289396 /nfs/dbraw/zinc/28/93/96/377289396.db2.gz ACRYBZNZIUUPAX-DLCANAPRSA-N 0 1 295.430 2.825 20 30 CFEDMN N#CCCCNCc1cc(Br)cc2c1OCC2 ZINC000129169431 377394492 /nfs/dbraw/zinc/39/44/92/377394492.db2.gz KDJQDTXMOUNNIF-UHFFFAOYSA-N 0 1 295.180 2.777 20 30 CFEDMN CCN1CCCC[C@H]1C(=O)N[C@@H](C)c1ccc(C#N)cc1 ZINC000264294294 383721598 /nfs/dbraw/zinc/72/15/98/383721598.db2.gz QIEDFXFUVRMZAP-BBRMVZONSA-N 0 1 285.391 2.610 20 30 CFEDMN C=C(C)COCCNCc1ccc(Br)cn1 ZINC000131382567 377704643 /nfs/dbraw/zinc/70/46/43/377704643.db2.gz OONSRZKKWFZXHV-UHFFFAOYSA-N 0 1 285.185 2.526 20 30 CFEDMN C#CCN(Cc1cc(OC)c(OC)cc1OC)C(C)(C)C ZINC000132056204 377798102 /nfs/dbraw/zinc/79/81/02/377798102.db2.gz NTDDZCLTVDNCSX-UHFFFAOYSA-N 0 1 291.391 2.946 20 30 CFEDMN C=CCCN1CCN(c2oc(-c3ccco3)nc2C#N)CC1 ZINC000132468011 377843815 /nfs/dbraw/zinc/84/38/15/377843815.db2.gz SIJFMEQOYPRQQJ-UHFFFAOYSA-N 0 1 298.346 2.504 20 30 CFEDMN CCN(CC(=O)N(CC)C[C@H](C)C#N)Cc1ccccc1 ZINC000132584054 377855485 /nfs/dbraw/zinc/85/54/85/377855485.db2.gz TZTPZSWYLUIVFR-OAHLLOKOSA-N 0 1 287.407 2.517 20 30 CFEDMN CCN(CCC#N)C(=O)c1cn[nH]c1-c1ccccc1F ZINC000133269056 377917877 /nfs/dbraw/zinc/91/78/77/377917877.db2.gz IDIDJUDRPXVSDS-UHFFFAOYSA-N 0 1 286.310 2.592 20 30 CFEDMN CCc1nnc(N[C@H](C)Cc2cc(C)n[nH]2)c(C#N)c1CC ZINC000133492581 377934288 /nfs/dbraw/zinc/93/42/88/377934288.db2.gz ICCCJDLLPLXURS-SNVBAGLBSA-N 0 1 298.394 2.548 20 30 CFEDMN Cc1cc(C[C@@H](C)Nc2ccc(C#N)cc2[N+](=O)[O-])[nH]n1 ZINC000133510353 377935200 /nfs/dbraw/zinc/93/52/00/377935200.db2.gz KEWRNLYLHSCSIA-SECBINFHSA-N 0 1 285.307 2.541 20 30 CFEDMN CN(Cc1cc(F)ccc1C#N)[C@H](CO)C(C)(C)C ZINC000134375671 378006332 /nfs/dbraw/zinc/00/63/32/378006332.db2.gz BZWDDQXNDNDRJG-CQSZACIVSA-N 0 1 264.344 2.536 20 30 CFEDMN C=CCNC(=O)[C@H](C)N(CC)Cc1ccccc1C ZINC000133994153 377974110 /nfs/dbraw/zinc/97/41/10/377974110.db2.gz BJDBHOYIPPIRMX-AWEZNQCLSA-N 0 1 260.381 2.508 20 30 CFEDMN CC(C)CCN(CCC#N)C(=O)[C@@H]1CCCc2[nH]ncc21 ZINC000134275878 377997972 /nfs/dbraw/zinc/99/79/72/377997972.db2.gz SYZWEFQYJKSNME-CYBMUJFWSA-N 0 1 288.395 2.618 20 30 CFEDMN C[C@@H](C(=O)Nc1ccccc1C#N)N(C)CCC1CC1 ZINC000135267385 378107383 /nfs/dbraw/zinc/10/73/83/378107383.db2.gz XXBHSPVYYBOJFP-LBPRGKRZSA-N 0 1 271.364 2.617 20 30 CFEDMN C#CCOc1ccc([C@H](C)NCc2cccnc2OC)cc1 ZINC000151145628 378300927 /nfs/dbraw/zinc/30/09/27/378300927.db2.gz ZINCMXKDRWHAIH-AWEZNQCLSA-N 0 1 296.370 2.953 20 30 CFEDMN O=C(N[C@@H]1CCCc2cn[nH]c21)[C@H]1CCCSC1 ZINC000329594358 378466480 /nfs/dbraw/zinc/46/64/80/378466480.db2.gz UZAXPUIXJMYIOB-WDEREUQCSA-N 0 1 265.382 2.887 20 30 CFEDMN C=C(C)COCCNCc1nc2c(s1)C[C@@H](C)CC2 ZINC000153012492 378466594 /nfs/dbraw/zinc/46/65/94/378466594.db2.gz ANHRPQFOGDIWJG-LBPRGKRZSA-N 0 1 280.437 2.950 20 30 CFEDMN CCC[C@@H]1C[C@@H]1NC(=O)N1CC[C@@H](n2cc(Cl)cn2)C1 ZINC000329611853 378468914 /nfs/dbraw/zinc/46/89/14/378468914.db2.gz OFOXJYDFGIDTAD-RTXFEEFZSA-N 0 1 296.802 2.886 20 30 CFEDMN Cc1cc([C@@H]2CCCN(C(=O)NC[C@H]3CC3(C)C)C2)n[nH]1 ZINC000328757495 378420804 /nfs/dbraw/zinc/42/08/04/378420804.db2.gz VBZGCWXUXVMEMQ-CHWSQXEVSA-N 0 1 290.411 2.858 20 30 CFEDMN C=C(C)CN(CC)[C@@H]1CCN(c2ccccc2F)C1=O ZINC000152517490 378423474 /nfs/dbraw/zinc/42/34/74/378423474.db2.gz JLFYKXPLTJTCSX-OAHLLOKOSA-N 0 1 276.355 2.829 20 30 CFEDMN CC(C)C[C@@H]1CCN(C(=O)N[C@@H]2CCc3nc[nH]c3C2)C1 ZINC000329636617 378474301 /nfs/dbraw/zinc/47/43/01/378474301.db2.gz YGZNYNCNJIZZAH-QWHCGFSZSA-N 0 1 290.411 2.549 20 30 CFEDMN C[C@H](NC(=O)N[C@H]1CCc2nc[nH]c2C1)C1CCCCC1 ZINC000329704737 378484393 /nfs/dbraw/zinc/48/43/93/378484393.db2.gz IXNGJGQLOCUVRN-AAEUAGOBSA-N 0 1 290.411 2.739 20 30 CFEDMN Cc1noc2ncc(NC(=O)C[N@@H+]3[C@H](C)CC[C@@H]3C)cc12 ZINC000329826659 378501871 /nfs/dbraw/zinc/50/18/71/378501871.db2.gz CLEGIFLYHHQUBT-AOOOYVTPSA-N 0 1 288.351 2.992 20 30 CFEDMN Cc1noc2ncc(NC(=O)CN3[C@H](C)CC[C@@H]3C)cc12 ZINC000329826659 378501875 /nfs/dbraw/zinc/50/18/75/378501875.db2.gz CLEGIFLYHHQUBT-AOOOYVTPSA-N 0 1 288.351 2.992 20 30 CFEDMN O=C(N[C@@H]1CC[N@H+](C2CC2)C1)c1coc(C2CCCC2)n1 ZINC000329963887 378518540 /nfs/dbraw/zinc/51/85/40/378518540.db2.gz QFSPSQITJWPEJQ-GFCCVEGCSA-N 0 1 289.379 2.874 20 30 CFEDMN O=C(N[C@@H]1CCN(C2CC2)C1)c1coc(C2CCCC2)n1 ZINC000329963887 378518545 /nfs/dbraw/zinc/51/85/45/378518545.db2.gz QFSPSQITJWPEJQ-GFCCVEGCSA-N 0 1 289.379 2.874 20 30 CFEDMN CC#CCCN1CCO[C@]2(CCc3ccccc32)C1 ZINC000157034501 378649215 /nfs/dbraw/zinc/64/92/15/378649215.db2.gz FWLNYLMAMODZLI-QGZVFWFLSA-N 0 1 255.361 2.574 20 30 CFEDMN C=CCC(CC=C)C(=O)N[C@H](C)Cc1cc(C)[nH]n1 ZINC000161453219 378848292 /nfs/dbraw/zinc/84/82/92/378848292.db2.gz IDIFCJWEUWJSFZ-LLVKDONJSA-N 0 1 261.369 2.534 20 30 CFEDMN C=CCCC(=O)Nc1ccc2nc(N(C)C)[nH]c2c1 ZINC000278507759 194018288 /nfs/dbraw/zinc/01/82/88/194018288.db2.gz BBVSBBTXJZZDFX-UHFFFAOYSA-N 0 1 258.325 2.534 20 30 CFEDMN C=C(C)COc1cccc(NC(=O)[C@H](CC)N(C)C)c1 ZINC000161697085 378865315 /nfs/dbraw/zinc/86/53/15/378865315.db2.gz XMKGLTZOWNEHJY-HNNXBMFYSA-N 0 1 276.380 2.920 20 30 CFEDMN CC#CCCCC(=O)Nc1ccc2nc(N(C)C)[nH]c2c1 ZINC000278565397 194046397 /nfs/dbraw/zinc/04/63/97/194046397.db2.gz IFEOYBFFCDMXIS-UHFFFAOYSA-N 0 1 284.363 2.761 20 30 CFEDMN C#CCNC1(c2ccc(Br)cc2)CC1 ZINC000170871890 379179948 /nfs/dbraw/zinc/17/99/48/379179948.db2.gz BATBDIXBAWSYTR-UHFFFAOYSA-N 0 1 250.139 2.661 20 30 CFEDMN Cc1nc2c(cccc2C(=O)N2CCC(C)(C#N)CC2)[nH]1 ZINC000334394062 379218546 /nfs/dbraw/zinc/21/85/46/379218546.db2.gz JJOPJDTVUCMOFW-UHFFFAOYSA-N 0 1 282.347 2.637 20 30 CFEDMN C=C[C@H]1CCCCN1Cc1cnc2n[nH]c(C)c2c1 ZINC000334389103 379209941 /nfs/dbraw/zinc/20/99/41/379209941.db2.gz RJEJJKCTZKHJGS-ZDUSSCGKSA-N 0 1 256.353 2.807 20 30 CFEDMN COC(=O)c1cccc2c1CCN([C@H]1CC[C@H](C#N)C1)C2 ZINC000334514001 379430105 /nfs/dbraw/zinc/43/01/05/379430105.db2.gz OOOYHDAEXPSMOT-JSGCOSHPSA-N 0 1 284.359 2.524 20 30 CFEDMN CC(C)(C)n1cc(CNCc2ccc(OCC#N)cc2)cn1 ZINC000171769496 379397369 /nfs/dbraw/zinc/39/73/69/379397369.db2.gz UHRGKLVGOULQRW-UHFFFAOYSA-N 0 1 298.390 2.830 20 30 CFEDMN C#CCCOc1ccc(CNCc2ccnc(OC)c2)cc1 ZINC000172113358 379495728 /nfs/dbraw/zinc/49/57/28/379495728.db2.gz PGBJGZNMUQYWEP-UHFFFAOYSA-N 0 1 296.370 2.782 20 30 CFEDMN C[C@@H]1CN(Cc2ccc(CC#N)cc2)CC(C)(C)O1 ZINC000334589309 379583545 /nfs/dbraw/zinc/58/35/45/379583545.db2.gz RVYDMABPNYJPHD-CYBMUJFWSA-N 0 1 258.365 2.752 20 30 CFEDMN C=C(C)CN1CC[C@@]2(C1)CC(=O)c1ccccc1O2 ZINC000334648229 379706239 /nfs/dbraw/zinc/70/62/39/379706239.db2.gz SFBNQOAQNLMBFF-INIZCTEOSA-N 0 1 257.333 2.672 20 30 CFEDMN CO[C@H](CNCc1ccc(C#N)o1)c1ccccc1 ZINC000174297543 379860237 /nfs/dbraw/zinc/86/02/37/379860237.db2.gz CXYOYNOYXLJMLN-OAHLLOKOSA-N 0 1 256.305 2.629 20 30 CFEDMN CCN(CC)[C@@H](CNCc1ccc(C#N)o1)c1ccco1 ZINC000174321236 379863684 /nfs/dbraw/zinc/86/36/84/379863684.db2.gz CEDVAQACFFZHCV-HNNXBMFYSA-N 0 1 287.363 2.917 20 30 CFEDMN C[C@@H]1CN(C(=O)c2ccc(C(C)(C)C#N)cc2)[C@@H](C)CN1C ZINC000335782152 379878056 /nfs/dbraw/zinc/87/80/56/379878056.db2.gz YKBDVFWQVYHGDN-KGLIPLIRSA-N 0 1 299.418 2.652 20 30 CFEDMN C[C@@H]1CN2CCCC[C@H]2CN1C(=O)Nc1cccc(C#N)c1 ZINC000335847009 379985786 /nfs/dbraw/zinc/98/57/86/379985786.db2.gz CRFKWPYZWBURLY-CJNGLKHVSA-N 0 1 298.390 2.649 20 30 CFEDMN N#Cc1ccc(F)cc1CN1CC[C@H]([C@@H]2CCOC2)C1 ZINC000335855519 380000855 /nfs/dbraw/zinc/00/08/55/380000855.db2.gz GMKHXAKXFFXQHB-UONOGXRCSA-N 0 1 274.339 2.556 20 30 CFEDMN C=CCNC(=O)CN1CC[C@@H](C)[C@H]1c1cccc(F)c1 ZINC000175150215 380006881 /nfs/dbraw/zinc/00/68/81/380006881.db2.gz HYPZTPSANHCEOZ-WBMJQRKESA-N 0 1 276.355 2.511 20 30 CFEDMN Cc1noc(C)c1CN[C@@H]1CCc2ccc(C#N)cc21 ZINC000336004136 380222813 /nfs/dbraw/zinc/22/28/13/380222813.db2.gz BWDNEHZFTDDZSA-MRXNPFEDSA-N 0 1 267.332 2.940 20 30 CFEDMN CN(C)Cc1ccnc(NC(=O)C2(C#N)CCCCC2)c1 ZINC000176899674 380281329 /nfs/dbraw/zinc/28/13/29/380281329.db2.gz WRDIWNQEZWQXKD-UHFFFAOYSA-N 0 1 286.379 2.556 20 30 CFEDMN C[C@H](NCc1cc(C#N)cs1)C(=O)Nc1ccccc1 ZINC000177699646 380371068 /nfs/dbraw/zinc/37/10/68/380371068.db2.gz HJRDVRPFZSMHTP-NSHDSACASA-N 0 1 285.372 2.737 20 30 CFEDMN CC(C)[C@H]1CN(Cc2ccccc2)CCN1C(=O)[C@H](C)C#N ZINC000529701386 383749017 /nfs/dbraw/zinc/74/90/17/383749017.db2.gz FXLPMPQPRJYLBF-NVXWUHKLSA-N 0 1 299.418 2.515 20 30 CFEDMN C=CCCC[C@H](C)NC(=O)N[C@@H](C)Cc1cc(C)[nH]n1 ZINC000180964886 380718845 /nfs/dbraw/zinc/71/88/45/380718845.db2.gz RSFFEFPXEUBUIH-RYUDHWBXSA-N 0 1 278.400 2.693 20 30 CFEDMN N#Cc1ccc(C[NH+]2CCC(NCc3ccco3)CC2)cc1 ZINC000181393176 380785300 /nfs/dbraw/zinc/78/53/00/380785300.db2.gz QPSIWICEDMYVAK-UHFFFAOYSA-N 0 1 295.386 2.905 20 30 CFEDMN C=CC[C@@H](C)NC(=O)N(C)CCCN(C)Cc1ccco1 ZINC000287401883 380824028 /nfs/dbraw/zinc/82/40/28/380824028.db2.gz KTHLWFPLOJYATK-CQSZACIVSA-N 0 1 293.411 2.708 20 30 CFEDMN C[C@]1(F)CCCN(CCOc2ccc(C#N)cc2)C1 ZINC000295354752 380805689 /nfs/dbraw/zinc/80/56/89/380805689.db2.gz IXBURHBNIGNSCB-HNNXBMFYSA-N 0 1 262.328 2.761 20 30 CFEDMN C[C@H](NCc1cccnc1N(C)C)c1cccc(C#N)c1 ZINC000181494624 380807140 /nfs/dbraw/zinc/80/71/40/380807140.db2.gz TUKHPEDOMXAYDU-ZDUSSCGKSA-N 0 1 280.375 2.870 20 30 CFEDMN Cc1oncc1CN1CCCN(c2ccccc2C#N)CC1 ZINC000181680858 380863840 /nfs/dbraw/zinc/86/38/40/380863840.db2.gz RSWMRICUMLYQNL-UHFFFAOYSA-N 0 1 296.374 2.567 20 30 CFEDMN C=C(C)CN(CC)C(=O)[C@@H](C)N[C@@H](C)c1cccc(O)c1 ZINC000181564976 380829236 /nfs/dbraw/zinc/82/92/36/380829236.db2.gz ICSPYIRVZZBHQC-UONOGXRCSA-N 0 1 290.407 2.856 20 30 CFEDMN C=CCC(C)(C)C(=O)N1C[C@@H](C)N(CC)C[C@@H]1C ZINC000410638547 380985205 /nfs/dbraw/zinc/98/52/05/380985205.db2.gz QJBANHVJCLKCCR-OLZOCXBDSA-N 0 1 252.402 2.530 20 30 CFEDMN CC[C@@H]1CCC[C@H]1C(=O)N=c1[nH]n(C(C)C)cc1C#N ZINC000410541874 380982329 /nfs/dbraw/zinc/98/23/29/380982329.db2.gz PGZWHVYQSFCMPB-DGCLKSJQSA-N 0 1 274.368 2.522 20 30 CFEDMN C[C@@H](NCCOCC1CC1)c1ccc(C#N)cc1F ZINC000358569971 380937610 /nfs/dbraw/zinc/93/76/10/380937610.db2.gz MWQJLMAAUKJZNQ-LLVKDONJSA-N 0 1 262.328 2.775 20 30 CFEDMN C[C@H](NCCOCC(F)(F)F)c1ccc(C#N)cc1F ZINC000358575302 380941225 /nfs/dbraw/zinc/94/12/25/380941225.db2.gz SBWBBZVHAJKIMY-VIFPVBQESA-N 0 1 290.260 2.927 20 30 CFEDMN C=CCN(Cc1ccc(OC)cc1)[C@@H](C)c1n[nH]c(C)n1 ZINC000411179321 381014881 /nfs/dbraw/zinc/01/48/81/381014881.db2.gz OJCWGNZOIYWYFU-LBPRGKRZSA-N 0 1 286.379 2.871 20 30 CFEDMN CN(CC(=O)Nc1nncs1)CC1CCCCC1 ZINC000049237771 412937713 /nfs/dbraw/zinc/93/77/13/412937713.db2.gz BNINNCFHYCJHFD-UHFFFAOYSA-N 0 1 268.386 2.638 20 30 CFEDMN CCC[C@@H](N[C@H](C)CCC#N)c1nnc2ccccn21 ZINC000411516326 381031726 /nfs/dbraw/zinc/03/17/26/381031726.db2.gz XQNGXYTYXKXFCK-CHWSQXEVSA-N 0 1 271.368 2.852 20 30 CFEDMN C[C@@H](CCC#N)N1CCO[C@H](C2CCCCC2)C1 ZINC000411532466 381032217 /nfs/dbraw/zinc/03/22/17/381032217.db2.gz ZFEUCZCEINDNHO-ZFWWWQNUSA-N 0 1 250.386 2.960 20 30 CFEDMN C=CCNC(=O)CN[C@@H](C)c1ccc(SCC)cc1 ZINC000182121515 380995996 /nfs/dbraw/zinc/99/59/96/380995996.db2.gz NOCAPQCMMSTEOJ-LBPRGKRZSA-N 0 1 278.421 2.751 20 30 CFEDMN COCC1(C)CCN(Cc2ccc(F)c(C#N)c2)CC1 ZINC000358749300 381054162 /nfs/dbraw/zinc/05/41/62/381054162.db2.gz YKRLRRZAPQKGAS-UHFFFAOYSA-N 0 1 276.355 2.946 20 30 CFEDMN Cc1nsc(N2CCN(CC3CCCC3)CC2)c1C#N ZINC000289582404 381055556 /nfs/dbraw/zinc/05/55/56/381055556.db2.gz WPJVTVKQHYVLIG-UHFFFAOYSA-N 0 1 290.436 2.635 20 30 CFEDMN C[C@@H]1CCN(CC(=O)Nc2cccc(C#N)c2)CC1(C)C ZINC000354032275 381033112 /nfs/dbraw/zinc/03/31/12/381033112.db2.gz XUEXCFGYWIKHFX-CYBMUJFWSA-N 0 1 285.391 2.865 20 30 CFEDMN COC[C@@H]1CN(CCC2(C#N)CCCCC2)C[C@@H](C)O1 ZINC000411603495 381034361 /nfs/dbraw/zinc/03/43/61/381034361.db2.gz DUILEDLRDBWKGQ-CABCVRRESA-N 0 1 280.412 2.586 20 30 CFEDMN CC(C)[C@](C)(C#N)NC(=O)[C@@H](C)N1CC[C@H](C)C(C)(C)C1 ZINC000354042430 381040818 /nfs/dbraw/zinc/04/08/18/381040818.db2.gz NDTNQAVKRBCBQB-VBQJREDUSA-N 0 1 293.455 2.797 20 30 CFEDMN CC[C@@H]1CN(C(C)=O)[C@H](CC)CN1Cc1cccc(C#N)c1 ZINC000354117944 381090187 /nfs/dbraw/zinc/09/01/87/381090187.db2.gz UIXPNCGVLAOJGM-QZTJIDSGSA-N 0 1 299.418 2.780 20 30 CFEDMN C=C[C@H](CO)NCc1cnc(-c2ccc(C)cc2)s1 ZINC000289676762 381099698 /nfs/dbraw/zinc/09/96/98/381099698.db2.gz CESSYTAOBSAFHE-CYBMUJFWSA-N 0 1 274.389 2.755 20 30 CFEDMN CC[C@@H](C)N1CCN(c2cc(C(C)=O)ccc2C#N)CC1 ZINC000296024412 381216487 /nfs/dbraw/zinc/21/64/87/381216487.db2.gz OPHPELHAMFENKA-CYBMUJFWSA-N 0 1 285.391 2.681 20 30 CFEDMN Cc1nnc([C@@H]2CC23CCN(Cc2ccc(C#N)o2)CC3)o1 ZINC000369416568 381253337 /nfs/dbraw/zinc/25/33/37/381253337.db2.gz HKOFJJOABOZBCU-AWEZNQCLSA-N 0 1 298.346 2.612 20 30 CFEDMN CCn1cc([C@H](C)NCc2ccc(C#N)c(OC)c2)cn1 ZINC000289931309 381223678 /nfs/dbraw/zinc/22/36/78/381223678.db2.gz VMNGDGLKSIYJCO-LBPRGKRZSA-N 0 1 284.363 2.634 20 30 CFEDMN N#Cc1ccccc1CSCCN[C@@H]1CCn2ccnc21 ZINC000296063970 381239100 /nfs/dbraw/zinc/23/91/00/381239100.db2.gz RSRSDQXJTRYLDD-OAHLLOKOSA-N 0 1 298.415 2.723 20 30 CFEDMN N#Cc1cccc(OCCC[N@H+]2CCC[C@H]3OCC[C@H]32)c1 ZINC000369555745 381287015 /nfs/dbraw/zinc/28/70/15/381287015.db2.gz GHUHTKPGJAPFNV-IAGOWNOFSA-N 0 1 286.375 2.580 20 30 CFEDMN CC[C@H](C(=O)N=c1[nH]n(C)cc1C#N)C1CCC(C)CC1 ZINC000359311892 381341395 /nfs/dbraw/zinc/34/13/95/381341395.db2.gz BGLKMSTUCLWJNM-YIZWMMSDSA-N 0 1 288.395 2.505 20 30 CFEDMN C=CCCN(C)C(=O)c1cc(-c2ccccc2)[nH]n1 ZINC000342486170 381355848 /nfs/dbraw/zinc/35/58/48/381355848.db2.gz HZHDMKXCYOIOBG-UHFFFAOYSA-N 0 1 255.321 2.725 20 30 CFEDMN C#C[C@@H](NCc1nc2ccccc2n1C)C(C)(C)C ZINC000290262572 381362604 /nfs/dbraw/zinc/36/26/04/381362604.db2.gz WXGYZWPFCJQREX-CQSZACIVSA-N 0 1 255.365 2.711 20 30 CFEDMN C#C[C@@H](NCc1cc(OC)ccc1OCOC)C(C)(C)C ZINC000290280893 381367889 /nfs/dbraw/zinc/36/78/89/381367889.db2.gz ZBJRLGQIELAPKB-MRXNPFEDSA-N 0 1 291.391 2.815 20 30 CFEDMN N#Cc1cc(NC(=O)c2cn[nH]c2C2CC2)ccc1F ZINC000184371724 381406698 /nfs/dbraw/zinc/40/66/98/381406698.db2.gz DCBCTAFCNZWPAZ-UHFFFAOYSA-N 0 1 270.267 2.550 20 30 CFEDMN CCCCCCCN1CC[C@@H](OC)C[C@H]1C(=O)OC ZINC000370229701 381409781 /nfs/dbraw/zinc/40/97/81/381409781.db2.gz DIEIZGLZAOJFPO-KGLIPLIRSA-N 0 1 271.401 2.609 20 30 CFEDMN CC#CCCCC(=O)NCc1nc2ccc(F)cc2[nH]1 ZINC000184304193 381399652 /nfs/dbraw/zinc/39/96/52/381399652.db2.gz KNBUTUUPIVFECW-UHFFFAOYSA-N 0 1 273.311 2.512 20 30 CFEDMN C=CCOc1ccccc1C(=O)Nc1nc(C2CCC2)n[nH]1 ZINC000184575100 381436983 /nfs/dbraw/zinc/43/69/83/381436983.db2.gz UKAVQUOLZAKBJN-UHFFFAOYSA-N 0 1 298.346 2.889 20 30 CFEDMN C=CCOc1ccccc1C(=O)Nc1n[nH]c(C2CCC2)n1 ZINC000184575100 381436991 /nfs/dbraw/zinc/43/69/91/381436991.db2.gz UKAVQUOLZAKBJN-UHFFFAOYSA-N 0 1 298.346 2.889 20 30 CFEDMN N#Cc1cc(CN[C@@H](CO)c2cccc(F)c2)ccc1F ZINC000359524262 381449759 /nfs/dbraw/zinc/44/97/59/381449759.db2.gz WJSQTVVDPNTEGQ-INIZCTEOSA-N 0 1 288.297 2.660 20 30 CFEDMN CC(C)(CCC#N)CN[C@@H](c1ncc[nH]1)c1cccnc1 ZINC000348203844 381472078 /nfs/dbraw/zinc/47/20/78/381472078.db2.gz DNLCYZAZMMCOLD-CQSZACIVSA-N 0 1 283.379 2.814 20 30 CFEDMN C=CCOCCCN1CCO[C@H](CCc2ccccc2)C1 ZINC000348063984 381461126 /nfs/dbraw/zinc/46/11/26/381461126.db2.gz XCOXLDWCPUJYBM-GOSISDBHSA-N 0 1 289.419 2.913 20 30 CFEDMN C=CCCN(C)CC(=O)NCCSc1ccc(C)cc1 ZINC000342731650 381505757 /nfs/dbraw/zinc/50/57/57/381505757.db2.gz LYJSSRYYMUTRRQ-UHFFFAOYSA-N 0 1 292.448 2.711 20 30 CFEDMN C=CCCN(C)[C@H](C)C(=O)Nc1c(F)cccc1F ZINC000342730789 381505962 /nfs/dbraw/zinc/50/59/62/381505962.db2.gz ZHDGAJMRBOHDIF-SNVBAGLBSA-N 0 1 268.307 2.800 20 30 CFEDMN N#Cc1ccc(SCc2n[nH]c(C3CC3)n2)cc1 ZINC000342701121 381487909 /nfs/dbraw/zinc/48/79/09/381487909.db2.gz RUBNQROWPBLAPX-UHFFFAOYSA-N 0 1 256.334 2.846 20 30 CFEDMN N#C[C@@H](c1cccc(Cl)c1)N1CCN(CCCF)CC1 ZINC000348314139 381501453 /nfs/dbraw/zinc/50/14/53/381501453.db2.gz HEFSAHVFOFNOHG-HNNXBMFYSA-N 0 1 295.789 2.882 20 30 CFEDMN CC[C@H](C)N1CCN(C(=O)/C=C/c2cccc(C#N)c2)CC1 ZINC000296732228 381523053 /nfs/dbraw/zinc/52/30/53/381523053.db2.gz ABOVDVMAFZOXJM-KIUWMYQTSA-N 0 1 297.402 2.514 20 30 CFEDMN C#CCC(C)(C)C(=O)N[C@@H]1CCCN(Cc2ccccc2)C1 ZINC000185053441 381524717 /nfs/dbraw/zinc/52/47/17/381524717.db2.gz NPGXPMDZEHULSI-QGZVFWFLSA-N 0 1 298.430 2.817 20 30 CFEDMN C=CCCN(C)CC(=O)Nc1ccc(C)c(F)c1 ZINC000342765060 381525055 /nfs/dbraw/zinc/52/50/55/381525055.db2.gz MIVQSGFLSZQJHW-UHFFFAOYSA-N 0 1 250.317 2.581 20 30 CFEDMN C=CCC(CC=C)C(=O)N1CCCC[C@H]1c1n[nH]c(C)n1 ZINC000370964888 381525433 /nfs/dbraw/zinc/52/54/33/381525433.db2.gz HZRGPMGLCCIVCG-AWEZNQCLSA-N 0 1 288.395 2.935 20 30 CFEDMN C=C(C)C[C@H](C)C(=O)NCCN1CCc2ccccc2C1 ZINC000185091128 381533581 /nfs/dbraw/zinc/53/35/81/381533581.db2.gz HCIYVAJAMLHCHL-HNNXBMFYSA-N 0 1 286.419 2.763 20 30 CFEDMN C[C@H](N[C@@H]1CCCC(F)(F)[C@H]1O)c1ccc(C#N)cc1F ZINC000414309577 381577686 /nfs/dbraw/zinc/57/76/86/381577686.db2.gz YBOKIDLJZSUVMS-FZZIBODNSA-N 0 1 298.308 2.897 20 30 CFEDMN COC(=O)c1cnc([C@H](C)NCC(C)(C)CCC#N)s1 ZINC000414160850 381565566 /nfs/dbraw/zinc/56/55/66/381565566.db2.gz JNRXMWSZDWJMOG-JTQLQIEISA-N 0 1 295.408 2.910 20 30 CFEDMN CCN(Cc1cc(C#N)ccc1F)C[C@H](C)OC ZINC000291225654 381713377 /nfs/dbraw/zinc/71/33/77/381713377.db2.gz LWTJKWIXUDNUPK-NSHDSACASA-N 0 1 250.317 2.554 20 30 CFEDMN C=CCN(CC=C)C(=O)NC[C@@H](c1ccsc1)N(C)C ZINC000298647079 381698639 /nfs/dbraw/zinc/69/86/39/381698639.db2.gz GBXOMTACWLLKNL-AWEZNQCLSA-N 0 1 293.436 2.734 20 30 CFEDMN N#Cc1cc(CN2CCC(c3cn[nH]c3)CC2)ccc1F ZINC000371958623 381727491 /nfs/dbraw/zinc/72/74/91/381727491.db2.gz FGXLJCORDABNKR-UHFFFAOYSA-N 0 1 284.338 2.800 20 30 CFEDMN C[C@H]1[C@@H](Nc2c(F)cc(C#N)cc2F)CCCN1C ZINC000343484605 381744443 /nfs/dbraw/zinc/74/44/43/381744443.db2.gz WFYIFILJYVSPIZ-ZANVPECISA-N 0 1 265.307 2.731 20 30 CFEDMN C[C@H]1[C@H](Nc2ncc(C#N)cc2Cl)CCCN1C ZINC000343483951 381744921 /nfs/dbraw/zinc/74/49/21/381744921.db2.gz VGXSJXSEIDFKSX-JOYOIKCWSA-N 0 1 264.760 2.501 20 30 CFEDMN C#CC[C@@H](NCC(=O)N1CCCC[C@@H]1C)c1ccccc1 ZINC000298930701 381784121 /nfs/dbraw/zinc/78/41/21/381784121.db2.gz NVGFCAADOXNECA-DOTOQJQBSA-N 0 1 284.403 2.742 20 30 CFEDMN Cc1c(C#N)cccc1NC(=O)[C@H]1CCCc2cn[nH]c21 ZINC000372335585 381793591 /nfs/dbraw/zinc/79/35/91/381793591.db2.gz YJDMNLMAOSMMJK-ZDUSSCGKSA-N 0 1 280.331 2.648 20 30 CFEDMN CC[C@](C)(C#N)C(=O)N(C)Cc1cc(C(C)(C)C)[nH]n1 ZINC000355543561 381780870 /nfs/dbraw/zinc/78/08/70/381780870.db2.gz HIEPZEFWLFHNIM-OAHLLOKOSA-N 0 1 276.384 2.605 20 30 CFEDMN C=CCN1CC[C@@H](N(C)Cc2ccc(Cl)c(C)c2)C1=O ZINC000343602383 381832366 /nfs/dbraw/zinc/83/23/66/381832366.db2.gz LABINCKGJVVUIY-OAHLLOKOSA-N 0 1 292.810 2.867 20 30 CFEDMN CN(CC#Cc1ccccc1)[C@@H](CC(N)=O)c1ccccc1 ZINC000361470516 381835219 /nfs/dbraw/zinc/83/52/19/381835219.db2.gz UBGQJDJEGJUBQB-SFHVURJKSA-N 0 1 292.382 2.587 20 30 CFEDMN C=CCCCCNC(=O)c1cn[nH]c1-c1ccccn1 ZINC000355750299 381801254 /nfs/dbraw/zinc/80/12/54/381801254.db2.gz LPWCBJAJKHUBMD-UHFFFAOYSA-N 0 1 270.336 2.558 20 30 CFEDMN C#CCN1CCC(C(=O)N(C)[C@@H](C)c2ccc(C)cc2)CC1 ZINC000299150886 381843413 /nfs/dbraw/zinc/84/34/13/381843413.db2.gz MGYNVGSYIWEJTN-INIZCTEOSA-N 0 1 298.430 2.860 20 30 CFEDMN Cc1nc(N[C@H]2CN(C3CC3)C[C@@H]2C)c(Cl)cc1C#N ZINC000292552972 381809695 /nfs/dbraw/zinc/80/96/95/381809695.db2.gz JAIHJSSFFSEABK-XPTSAGLGSA-N 0 1 290.798 2.810 20 30 CFEDMN CCN(CC(=O)N[C@@H]1CCCc2cc(C#N)ccc21)C1CC1 ZINC000416099845 381877887 /nfs/dbraw/zinc/87/78/87/381877887.db2.gz LUUXLDKOKDFYMJ-QGZVFWFLSA-N 0 1 297.402 2.536 20 30 CFEDMN C=CCN(C/C=C\c1ccccc1[N+](=O)[O-])CCOC ZINC000361641612 381853061 /nfs/dbraw/zinc/85/30/61/381853061.db2.gz CSFZIUYBYGXUHI-VURMDHGXSA-N 0 1 276.336 2.742 20 30 CFEDMN C[C@H](NCCCOc1cccc(C#N)c1)c1ccon1 ZINC000349236613 381857100 /nfs/dbraw/zinc/85/71/00/381857100.db2.gz DQHPZXGHOFKUDT-LBPRGKRZSA-N 0 1 271.320 2.666 20 30 CFEDMN CC[C@H](C(=O)N[C@H](C#N)C(C)C)N(C)Cc1ccccc1 ZINC000343637165 381860059 /nfs/dbraw/zinc/86/00/59/381860059.db2.gz XTEHUKMQJNGFQA-HZPDHXFCSA-N 0 1 287.407 2.561 20 30 CFEDMN CC(C)(C#N)c1ccc(C(=O)[C@H](C#N)c2ccncn2)cc1 ZINC000361792206 381862515 /nfs/dbraw/zinc/86/25/15/381862515.db2.gz KPXJCKKGHKDRFB-CQSZACIVSA-N 0 1 290.326 2.768 20 30 CFEDMN CC(C)(C#N)c1ccc(C(=O)C(C#N)c2ccncn2)cc1 ZINC000361792206 381862524 /nfs/dbraw/zinc/86/25/24/381862524.db2.gz KPXJCKKGHKDRFB-CQSZACIVSA-N 0 1 290.326 2.768 20 30 CFEDMN Cn1cc(C(=O)C(C#N)c2ccncn2)c2cc(F)ccc21 ZINC000361792639 381862813 /nfs/dbraw/zinc/86/28/13/381862813.db2.gz OQLVBPVQTOYSGL-LBPRGKRZSA-N 0 1 294.289 2.597 20 30 CFEDMN C#CC(C)(C)N(C)Cc1cccc(Br)n1 ZINC000292910453 381897502 /nfs/dbraw/zinc/89/75/02/381897502.db2.gz RSEQNJCOLQBRBA-UHFFFAOYSA-N 0 1 267.170 2.688 20 30 CFEDMN N#Cc1ccc(N2CCC(NCc3cscn3)CC2)cc1 ZINC000373041147 381914418 /nfs/dbraw/zinc/91/44/18/381914418.db2.gz YCXDLKOZQHYAAU-UHFFFAOYSA-N 0 1 298.415 2.773 20 30 CFEDMN Cn1ccnc1[C@@H]1CCC[N@@H+](Cc2ccc(C#N)cc2F)C1 ZINC000373108244 381927866 /nfs/dbraw/zinc/92/78/66/381927866.db2.gz ASHYASXMHZCJOY-OAHLLOKOSA-N 0 1 298.365 2.810 20 30 CFEDMN C=CCCC[C@H](C)NC(=O)N1CCN(C2CCC2)CC1 ZINC000343810420 381957369 /nfs/dbraw/zinc/95/73/69/381957369.db2.gz CNEJJPBLSDUYNB-AWEZNQCLSA-N 0 1 279.428 2.611 20 30 CFEDMN CCCCCNC(=O)CN[C@@H](C)c1ccc(C#N)cc1 ZINC000299509629 381967550 /nfs/dbraw/zinc/96/75/50/381967550.db2.gz CDIPZMSYMPZUEJ-ZDUSSCGKSA-N 0 1 273.380 2.515 20 30 CFEDMN N#CCC[C@H](C#N)CN1CCC[C@@H](C[C@H]2CCOC2)C1 ZINC000373143703 381936317 /nfs/dbraw/zinc/93/63/17/381936317.db2.gz XYJCQOFKMJYBRL-ARFHVFGLSA-N 0 1 275.396 2.569 20 30 CFEDMN COc1cc(C#N)ccc1CN1CCCO[C@H](C(C)C)C1 ZINC000292989305 381937060 /nfs/dbraw/zinc/93/70/60/381937060.db2.gz IKNKGDQKGKCURL-KRWDZBQOSA-N 0 1 288.391 2.814 20 30 CFEDMN CC[C@H](NCc1cccc(F)c1C#N)[C@H]1CCCO1 ZINC000362286287 381990615 /nfs/dbraw/zinc/99/06/15/381990615.db2.gz RCQJPRATTQXTQR-LSDHHAIUSA-N 0 1 262.328 2.745 20 30 CFEDMN C[C@@H](NCC(=O)N1CCCC[C@H]1C)c1ccc(C#N)cc1 ZINC000299593901 381994871 /nfs/dbraw/zinc/99/48/71/381994871.db2.gz IFOHZVAXNQJXOF-ZIAGYGMSSA-N 0 1 285.391 2.610 20 30 CFEDMN C=CCSc1ccccc1C(=O)Nc1n[nH]c(CC)n1 ZINC000362416418 382059053 /nfs/dbraw/zinc/05/90/53/382059053.db2.gz GNZHTVZLXPMWIV-UHFFFAOYSA-N 0 1 288.376 2.898 20 30 CFEDMN C=CCSc1ccccc1C(=O)Nc1nc(CC)n[nH]1 ZINC000362416418 382059058 /nfs/dbraw/zinc/05/90/58/382059058.db2.gz GNZHTVZLXPMWIV-UHFFFAOYSA-N 0 1 288.376 2.898 20 30 CFEDMN C=C(C)CCN(C)CC(=O)Nc1cc(OC)cc(OC)c1 ZINC000351756230 382062082 /nfs/dbraw/zinc/06/20/82/382062082.db2.gz KJXLSZAGXWWAGW-UHFFFAOYSA-N 0 1 292.379 2.540 20 30 CFEDMN C=CCN(CC=C)Cc1ccccc1C(=O)N(C)C ZINC000417749932 382063308 /nfs/dbraw/zinc/06/33/08/382063308.db2.gz WIENSCPCGCVKHK-UHFFFAOYSA-N 0 1 258.365 2.562 20 30 CFEDMN Cc1cc(-c2noc([C@@]3(C#N)C[C@@H]3C)n2)cc2nc[nH]c21 ZINC000351083510 382025907 /nfs/dbraw/zinc/02/59/07/382025907.db2.gz NXFYHHXILCKKNE-BJOHPYRUSA-N 0 1 279.303 2.723 20 30 CFEDMN C=C(C)CN1CCN(c2nccc3sccc32)CC1 ZINC000343956385 382035291 /nfs/dbraw/zinc/03/52/91/382035291.db2.gz DJGWPMNWBBBZCJ-UHFFFAOYSA-N 0 1 273.405 2.994 20 30 CFEDMN Cc1ccc(CN[C@@H]2CCCc3cc(C#N)ccc32)nn1 ZINC000418145758 382127765 /nfs/dbraw/zinc/12/77/65/382127765.db2.gz NSBGZUGGKYVCAB-QGZVFWFLSA-N 0 1 278.359 2.824 20 30 CFEDMN C=C[C@](C)(CC)C(=O)N1C[C@@H](C)N(CC)C[C@@H]1C ZINC000344068112 382104820 /nfs/dbraw/zinc/10/48/20/382104820.db2.gz ZLWIFLSWTVHVBT-VNHYZAJKSA-N 0 1 252.402 2.530 20 30 CFEDMN C#CCC[N@@H+]1CCC[C@@H]1c1cc(OC)c(OC)c(OC)c1 ZINC000362456648 382078949 /nfs/dbraw/zinc/07/89/49/382078949.db2.gz UFRALCHNDYFGAH-CQSZACIVSA-N 0 1 289.375 2.873 20 30 CFEDMN C[C@H]1CCCC[N@H+]1CCNc1ccc(F)cc1C#N ZINC000301332125 382150642 /nfs/dbraw/zinc/15/06/42/382150642.db2.gz BSFFQDLYGRMSPX-LBPRGKRZSA-N 0 1 261.344 2.984 20 30 CFEDMN CN(Cc1ccc(Cl)cc1C#N)C[C@@H]1CCC[C@@H]1O ZINC000187332127 382157216 /nfs/dbraw/zinc/15/72/16/382157216.db2.gz GAUPXBPMOIMUOT-WFASDCNBSA-N 0 1 278.783 2.804 20 30 CFEDMN CC(C)(C)[C@@H]1CCN(CC(=O)Nc2sccc2C#N)C1 ZINC000344209127 382201140 /nfs/dbraw/zinc/20/11/40/382201140.db2.gz LBULKWMUUOHFAV-GFCCVEGCSA-N 0 1 291.420 2.926 20 30 CFEDMN CC[C@]1(C)CCN(CC(=O)Nc2ccc(C#N)cc2)C1 ZINC000344256947 382234473 /nfs/dbraw/zinc/23/44/73/382234473.db2.gz TWDXRDJOKWXFGF-MRXNPFEDSA-N 0 1 271.364 2.619 20 30 CFEDMN COCCN(Cc1nc(C#N)cs1)[C@@H]1CCC[C@@H]1C ZINC000419308575 382279408 /nfs/dbraw/zinc/27/94/08/382279408.db2.gz PDQZGJYLSLMIML-WCQYABFASA-N 0 1 279.409 2.652 20 30 CFEDMN N#Cc1ccccc1CN1CCOCC2(CCCC2)C1 ZINC000364333115 382308839 /nfs/dbraw/zinc/30/88/39/382308839.db2.gz AKDBYFIPCZMDNQ-UHFFFAOYSA-N 0 1 270.376 2.951 20 30 CFEDMN C[C@@H]1CCCCN(CC(=O)Nc2ccc(C#N)cc2)C1 ZINC000187957210 382309949 /nfs/dbraw/zinc/30/99/49/382309949.db2.gz KWCLSTQKMGOGOD-CYBMUJFWSA-N 0 1 271.364 2.619 20 30 CFEDMN COCCCCN(C)Cc1cn2ccccc2c1C#N ZINC000419390516 382313779 /nfs/dbraw/zinc/31/37/79/382313779.db2.gz VFBJHSBRVREPCX-UHFFFAOYSA-N 0 1 271.364 2.669 20 30 CFEDMN C=C(C)CC[N@@H+]1C[C@@H]2[C@H](C1)OCCN2Cc1ccccc1 ZINC000352413109 382317951 /nfs/dbraw/zinc/31/79/51/382317951.db2.gz LVUGUCWXPJCULH-MSOLQXFVSA-N 0 1 286.419 2.538 20 30 CFEDMN C[C@H](NC(=O)C(C#N)c1ncc(C(C)(C)C)s1)C1CC1 ZINC000419842291 382323394 /nfs/dbraw/zinc/32/33/94/382323394.db2.gz VLUJMUHPCWTKTK-ONGXEEELSA-N 0 1 291.420 2.962 20 30 CFEDMN CC(C)NC(=O)C(C#N)c1ncc(C(C)(C)C)s1 ZINC000419831304 382323537 /nfs/dbraw/zinc/32/35/37/382323537.db2.gz HLDPBOVGCDHTEK-VIFPVBQESA-N 0 1 265.382 2.572 20 30 CFEDMN C=C[C@H](CO)NCc1ccc(-c2ccncc2)cc1F ZINC000352452337 382340416 /nfs/dbraw/zinc/34/04/16/382340416.db2.gz DYROPQWCALQNFS-OAHLLOKOSA-N 0 1 272.323 2.524 20 30 CFEDMN Cc1cccc2nc([C@@H](C#N)C(=O)c3ccoc3)[nH]c21 ZINC000345373768 382299751 /nfs/dbraw/zinc/29/97/51/382299751.db2.gz MGOOVMMHRPMYJV-NSHDSACASA-N 0 1 265.272 2.954 20 30 CFEDMN CC(C)[C@@H]1CN(Cc2ccc(C#N)s2)CCCO1 ZINC000294128046 382426557 /nfs/dbraw/zinc/42/65/57/382426557.db2.gz UGIKXNLNKZMYLY-AWEZNQCLSA-N 0 1 264.394 2.867 20 30 CFEDMN N#Cc1ccc(CN2CCC(OCC3CC3)CC2)o1 ZINC000378342669 382440697 /nfs/dbraw/zinc/44/06/97/382440697.db2.gz PXOLWQVEPNTUDR-UHFFFAOYSA-N 0 1 260.337 2.542 20 30 CFEDMN C=CCC[C@@H](CCC)N1CCO[C@@H](c2nncn2CC)C1 ZINC000365530547 382409339 /nfs/dbraw/zinc/40/93/39/382409339.db2.gz WFAOACJDJLQYAA-HUUCEWRRSA-N 0 1 292.427 2.806 20 30 CFEDMN N#Cc1ccc(C(=O)Nc2cccc3[nH]ccc32)cc1O ZINC000188414611 382409612 /nfs/dbraw/zinc/40/96/12/382409612.db2.gz MOIGAYJWOFKHAW-UHFFFAOYSA-N 0 1 277.283 2.997 20 30 CFEDMN CCc1c(C)sc(NC(=O)c2cc(OC)no2)c1C#N ZINC000346663670 382461131 /nfs/dbraw/zinc/46/11/31/382461131.db2.gz PZLCLBWZVOBTFA-UHFFFAOYSA-N 0 1 291.332 2.740 20 30 CFEDMN CC1(O)C[C@H]2CC[C@@H](C1)N2Cc1ccc(C#N)cc1F ZINC000366646756 382538627 /nfs/dbraw/zinc/53/86/27/382538627.db2.gz WOBINQIRCXJQOR-MZBDJJRSSA-N 0 1 274.339 2.575 20 30 CFEDMN C=CCCC(=O)N[C@H]1CCN(C)[C@@H]1c1ccc(F)cc1 ZINC000366840247 382552120 /nfs/dbraw/zinc/55/21/20/382552120.db2.gz GBEPLZPMMWUPIY-GOEBONIOSA-N 0 1 276.355 2.653 20 30 CFEDMN CC(=O)Nc1ccn([C@H]2CCN(Cc3occc3C)C2)n1 ZINC000328622831 382556050 /nfs/dbraw/zinc/55/60/50/382556050.db2.gz IRZWCMVQLGGPEZ-ZDUSSCGKSA-N 0 1 288.351 2.839 20 30 CFEDMN CC(C)CCN(CCC#N)C(=O)[C@H]1CCCc2c[nH]nc21 ZINC000367044293 382556092 /nfs/dbraw/zinc/55/60/92/382556092.db2.gz FGMHSXRYBZJCCE-AWEZNQCLSA-N 0 1 288.395 2.618 20 30 CFEDMN CC(=O)Nc1ccn([C@@H]2CCN(Cc3ccco3)C2)n1 ZINC000328619888 382557135 /nfs/dbraw/zinc/55/71/35/382557135.db2.gz GIEYRLRHEBDRSM-GFCCVEGCSA-N 0 1 274.324 2.531 20 30 CFEDMN Cn1cc(CNCc2ccc(F)c(Cl)c2)cc1C#N ZINC000189592044 382628101 /nfs/dbraw/zinc/62/81/01/382628101.db2.gz LKVPJPFECABKJO-UHFFFAOYSA-N 0 1 277.730 2.979 20 30 CFEDMN C[C@H]1CC(O)C[C@H](C)N1CC#Cc1cccc(Cl)c1 ZINC000191149545 382693180 /nfs/dbraw/zinc/69/31/80/382693180.db2.gz FRRSIXDEWRSTSS-STQMWFEESA-N 0 1 277.795 2.925 20 30 CFEDMN C=CCN(C/C=C/c1ccccc1OC)CCOC ZINC000191762750 382702490 /nfs/dbraw/zinc/70/24/90/382702490.db2.gz NRCFPOPZFZMPQL-VQHVLOKHSA-N 0 1 261.365 2.843 20 30 CFEDMN C=CCCCCCN1CCN(c2nccnc2C#N)C[C@@H]1C ZINC000193387021 382719425 /nfs/dbraw/zinc/71/94/25/382719425.db2.gz RWLLDYZJDHUXOC-HNNXBMFYSA-N 0 1 299.422 2.605 20 30 CFEDMN CCOC(=O)[C@]1(C(C)C)CC[N@@H+](Cc2ccc(C#N)o2)C1 ZINC000195194845 382763680 /nfs/dbraw/zinc/76/36/80/382763680.db2.gz IHIWJQQZRGEIBS-MRXNPFEDSA-N 0 1 290.363 2.562 20 30 CFEDMN C=CCN1CC[C@@H](N(C)Cc2ccc(CCC)cc2)C1=O ZINC000337225280 382780183 /nfs/dbraw/zinc/78/01/83/382780183.db2.gz OHYXXDKDTXGAOB-QGZVFWFLSA-N 0 1 286.419 2.858 20 30 CFEDMN C=CCN1CC[C@H](N(C)CCc2ccc(CC)cc2)C1=O ZINC000337224718 382780295 /nfs/dbraw/zinc/78/02/95/382780295.db2.gz NSKBQFZOXZGKMQ-KRWDZBQOSA-N 0 1 286.419 2.510 20 30 CFEDMN CC(C)O[C@@H]1CCN(Cc2ccc(C#N)s2)C1 ZINC000576823918 382837374 /nfs/dbraw/zinc/83/73/74/382837374.db2.gz XOPGQEFWFFJSAB-LLVKDONJSA-N 0 1 250.367 2.619 20 30 CFEDMN C[C@H]1C[N@@H+](C)CCN1c1ccc(C(F)(F)F)cc1C#N ZINC000227537557 382837555 /nfs/dbraw/zinc/83/75/55/382837555.db2.gz AFODXXMDLURLEZ-JTQLQIEISA-N 0 1 283.297 2.717 20 30 CFEDMN C[C@H]1CN(C)CCN1c1ccc(C(F)(F)F)cc1C#N ZINC000227537557 382837559 /nfs/dbraw/zinc/83/75/59/382837559.db2.gz AFODXXMDLURLEZ-JTQLQIEISA-N 0 1 283.297 2.717 20 30 CFEDMN C=CCN(Cc1cccc([N+](=O)[O-])c1)CC1(C)COC1 ZINC000441279456 382905483 /nfs/dbraw/zinc/90/54/83/382905483.db2.gz UGNQJRFQLRCPPN-UHFFFAOYSA-N 0 1 276.336 2.619 20 30 CFEDMN C=C(Cl)CN[C@@H]1CCC[C@@H]1NC(=O)OC(C)(C)C ZINC000494397923 382912758 /nfs/dbraw/zinc/91/27/58/382912758.db2.gz AWSDQLIRDZCIFL-MNOVXSKESA-N 0 1 274.792 2.774 20 30 CFEDMN C=C(C)CCNC(=O)N1CCC(c2cn[nH]c2C)CC1 ZINC000577820813 382871589 /nfs/dbraw/zinc/87/15/89/382871589.db2.gz ZQSVPYRGNHIQJF-UHFFFAOYSA-N 0 1 276.384 2.573 20 30 CFEDMN COc1cc(CN2CCSC[C@H]2C)ccc1C#N ZINC000234991601 382876008 /nfs/dbraw/zinc/87/60/08/382876008.db2.gz PHROPSCPGKLCPX-LLVKDONJSA-N 0 1 262.378 2.504 20 30 CFEDMN C=CCNC(=O)[C@H](C)N(C)C/C(C)=C/c1ccccc1 ZINC000494268814 382910926 /nfs/dbraw/zinc/91/09/26/382910926.db2.gz RTRYNRDAPQENTM-ZQHYZAEZSA-N 0 1 272.392 2.712 20 30 CFEDMN C/C(=C\c1ccccc1)CN(C)[C@@H](C)C(=O)N(C)CCC#N ZINC000494262957 382911357 /nfs/dbraw/zinc/91/13/57/382911357.db2.gz UCSVILNFMYIIFA-MDJJKAFGSA-N 0 1 299.418 2.782 20 30 CFEDMN Cc1cc(C)c(NC(=O)CN[C@@H]2CC[C@H](C#N)C2)c(C)c1 ZINC000442645787 382941300 /nfs/dbraw/zinc/94/13/00/382941300.db2.gz JDJGNAFQXXBOBK-LSDHHAIUSA-N 0 1 285.391 2.832 20 30 CFEDMN C=CCCCC(=O)Nc1cccc(-c2cn[nH]n2)c1 ZINC000442672760 382944746 /nfs/dbraw/zinc/94/47/46/382944746.db2.gz QXMCUPDAZKSTCF-UHFFFAOYSA-N 0 1 256.309 2.767 20 30 CFEDMN N#Cc1ccc(CN2CCC[C@]3(CCSC3)C2)nc1 ZINC000578904027 382964412 /nfs/dbraw/zinc/96/44/12/382964412.db2.gz FNPXOQDYHCVQQA-HNNXBMFYSA-N 0 1 273.405 2.672 20 30 CFEDMN N#Cc1ccc(CN2CCC[C@@]3(CCSC3)C2)nc1 ZINC000578904028 382964505 /nfs/dbraw/zinc/96/45/05/382964505.db2.gz FNPXOQDYHCVQQA-OAHLLOKOSA-N 0 1 273.405 2.672 20 30 CFEDMN CC1CCC(N(CCC#N)C[C@H]2CCCO2)CC1 ZINC000441463812 382916110 /nfs/dbraw/zinc/91/61/10/382916110.db2.gz LJUOWEGQLUPORJ-YMAMQOFZSA-N 0 1 250.386 2.960 20 30 CFEDMN C=CCOc1ccc(C[N@@H+]2CC[C@H](C)[C@H](C(=O)[O-])C2)cc1 ZINC000578532548 382930854 /nfs/dbraw/zinc/93/08/54/382930854.db2.gz RWCMMUIXTVSBGN-XJKSGUPXSA-N 0 1 289.375 2.794 20 30 CFEDMN CC[C@]1(C)CCN(Cc2cccc(C(=O)OC)c2C#N)C1 ZINC000534472273 382930943 /nfs/dbraw/zinc/93/09/43/382930943.db2.gz KWQAWVQQZTWELX-QGZVFWFLSA-N 0 1 286.375 2.967 20 30 CFEDMN CC(=O)N1CCN(CCCCC(C)(C)C#N)C(C)(C)C1 ZINC000444673445 382976691 /nfs/dbraw/zinc/97/66/91/382976691.db2.gz MQIYKOOFNDRSPK-UHFFFAOYSA-N 0 1 279.428 2.649 20 30 CFEDMN CCC[C@]1(C)C(=O)NCCN1CCCCC(C)(C)C#N ZINC000444685906 382977843 /nfs/dbraw/zinc/97/78/43/382977843.db2.gz BJISKQINYKTFQN-MRXNPFEDSA-N 0 1 279.428 2.697 20 30 CFEDMN C[C@@H](C#N)CN(C)C[C@]1(C)CCN(C(=O)OC(C)(C)C)C1 ZINC000495335255 382980575 /nfs/dbraw/zinc/98/05/75/382980575.db2.gz FIMHERDMFYOFNN-BBRMVZONSA-N 0 1 295.427 2.725 20 30 CFEDMN C=CCN(CC=C)C(=O)[C@@H](C)N[C@@H](c1cccnc1)C1CC1 ZINC000445809293 382985039 /nfs/dbraw/zinc/98/50/39/382985039.db2.gz VTGOOIOSUJPENR-RHSMWYFYSA-N 0 1 299.418 2.711 20 30 CFEDMN N#C[C@H]1CCC[C@@H](NCc2nccn2CC(F)(F)F)C1 ZINC000447534268 382997275 /nfs/dbraw/zinc/99/72/75/382997275.db2.gz VYPKHTMDTVQDSF-WDEREUQCSA-N 0 1 286.301 2.617 20 30 CFEDMN C[N@@H+](CCOc1ccccc1)CCOc1cccc(C#N)c1 ZINC000338381116 383013619 /nfs/dbraw/zinc/01/36/19/383013619.db2.gz WUFPLRLLUARPSE-UHFFFAOYSA-N 0 1 296.370 2.948 20 30 CFEDMN C[C@@H](NC(=O)[C@H](C)N1CCC(CC#N)CC1)c1ccccc1 ZINC000541949655 382967509 /nfs/dbraw/zinc/96/75/09/382967509.db2.gz ZTSXXAFTCYXDND-CABCVRRESA-N 0 1 299.418 2.878 20 30 CFEDMN N#CCC1CCN([C@@H](C(=O)NC2CC2)c2ccccc2)CC1 ZINC000541951768 382967700 /nfs/dbraw/zinc/96/77/00/382967700.db2.gz KECLYMJACYIUTH-QGZVFWFLSA-N 0 1 297.402 2.632 20 30 CFEDMN CC(=O)c1ccccc1OCCN1CCC(CC#N)CC1 ZINC000542882183 382970350 /nfs/dbraw/zinc/97/03/50/382970350.db2.gz ZXBSNOZQTCDFHF-UHFFFAOYSA-N 0 1 286.375 2.894 20 30 CFEDMN N#CCC1CCN(CC#Cc2ccc(F)cc2)CC1 ZINC000542879156 382970765 /nfs/dbraw/zinc/97/07/65/382970765.db2.gz NZMWBTWTWBORBG-UHFFFAOYSA-N 0 1 256.324 2.803 20 30 CFEDMN C[C@H](C(=O)Nc1ccccc1CC#N)N1CCCCCC1 ZINC000580221343 383078175 /nfs/dbraw/zinc/07/81/75/383078175.db2.gz OVPKWVVMKCADLF-CQSZACIVSA-N 0 1 285.391 2.956 20 30 CFEDMN C=CCCCNC(=O)NCCN(C)Cc1ccc(F)cc1 ZINC000447959945 383034862 /nfs/dbraw/zinc/03/48/62/383034862.db2.gz UXMBGJOMCSQELE-UHFFFAOYSA-N 0 1 293.386 2.523 20 30 CFEDMN CCN(C)[C@@H](C(=O)N(CC)C[C@H](C)C#N)c1ccccc1 ZINC000245820667 383038614 /nfs/dbraw/zinc/03/86/14/383038614.db2.gz MAFKOMPTCOYORG-GDBMZVCRSA-N 0 1 287.407 2.688 20 30 CFEDMN C[C@@H]1CN(c2ccc(C(F)(F)F)c(C#N)n2)C[C@H](C)N1C ZINC000338786694 383051053 /nfs/dbraw/zinc/05/10/53/383051053.db2.gz PGSUPAMOBOARSO-AOOOYVTPSA-N 0 1 298.312 2.501 20 30 CFEDMN Cc1nc2cccc(C(=O)NCC#Cc3ccccc3)c2[nH]1 ZINC000338506312 383019060 /nfs/dbraw/zinc/01/90/60/383019060.db2.gz OYHUKQXYPITPOW-UHFFFAOYSA-N 0 1 289.338 2.653 20 30 CFEDMN N#Cc1cccc(NC(=O)CN2CC[C@H](CC3CC3)C2)c1 ZINC000550049558 383019314 /nfs/dbraw/zinc/01/93/14/383019314.db2.gz PSXKRMKOGJAEJA-OAHLLOKOSA-N 0 1 283.375 2.619 20 30 CFEDMN C=C(Cl)CN[C@@H](CNC(=O)OC(C)(C)C)C1CC1 ZINC000496693518 383123540 /nfs/dbraw/zinc/12/35/40/383123540.db2.gz INOXNUGENIPVSK-NSHDSACASA-N 0 1 274.792 2.632 20 30 CFEDMN N#CCC[C@@H](C#N)CN[C@@H]1C[C@H]1c1cccc(F)c1 ZINC000582159142 383086144 /nfs/dbraw/zinc/08/61/44/383086144.db2.gz TWANNVDQFAWKJK-TUKIKUTGSA-N 0 1 257.312 2.715 20 30 CFEDMN C[C@@H]1Cc2ccccc2[C@@H]1NC[C@H](C#N)CCC#N ZINC000582355234 383086905 /nfs/dbraw/zinc/08/69/05/383086905.db2.gz BNXIPYDAAKZUJV-DVOMOZLQSA-N 0 1 253.349 2.953 20 30 CFEDMN C=C(C)C[N@H+]1C[C@@H](C2CCCCC2)C[C@H]1C(=O)[O-] ZINC000583511756 383089711 /nfs/dbraw/zinc/08/97/11/383089711.db2.gz WRKBGKSTJSHCML-KBPBESRZSA-N 0 1 251.370 2.918 20 30 CFEDMN CCN(CCCN(C)C(=O)OC(C)(C)C)C[C@@H](C)C#N ZINC000496395773 383096477 /nfs/dbraw/zinc/09/64/77/383096477.db2.gz GQPOVKIHIBWJHR-ZDUSSCGKSA-N 0 1 283.416 2.725 20 30 CFEDMN CCN(CCC#N)CC/C=C\c1cncc(OC)c1 ZINC000564899447 383174314 /nfs/dbraw/zinc/17/43/14/383174314.db2.gz ZYEZWFOLGUBMFC-DAXSKMNVSA-N 0 1 259.353 2.729 20 30 CFEDMN CC[C@H](CC#N)NCCC(=O)Nc1ccccc1C ZINC000565172265 383176950 /nfs/dbraw/zinc/17/69/50/383176950.db2.gz QIWCWTBBGDUPTR-CYBMUJFWSA-N 0 1 259.353 2.606 20 30 CFEDMN CC[C@@H](CC#N)N[C@H](C)Cc1ccccc1[N+](=O)[O-] ZINC000449243527 383186084 /nfs/dbraw/zinc/18/60/84/383186084.db2.gz LLGKRGAIDLMUEK-YPMHNXCESA-N 0 1 261.325 2.808 20 30 CFEDMN CC#CCN(C)C[C@@H](O)COc1cccc2ccccc21 ZINC000555759159 383148879 /nfs/dbraw/zinc/14/88/79/383148879.db2.gz FXLDZRALHKYHMM-MRXNPFEDSA-N 0 1 283.371 2.535 20 30 CFEDMN CO[C@H]1C[C@@H](N(C)CC#Cc2ccccc2Cl)C1 ZINC000510094205 383149021 /nfs/dbraw/zinc/14/90/21/383149021.db2.gz RMHODDNYEOPGNG-OKILXGFUSA-N 0 1 263.768 2.801 20 30 CFEDMN CO[C@H]1C[C@@H](N(C)CC#Cc2cccc(Cl)c2)C1 ZINC000510081469 383150069 /nfs/dbraw/zinc/15/00/69/383150069.db2.gz AETVWOCZUBWXHU-GASCZTMLSA-N 0 1 263.768 2.801 20 30 CFEDMN N#CCCCC(=O)Nc1nc(-c2ccc(Cl)cc2)n[nH]1 ZINC000562275650 383156047 /nfs/dbraw/zinc/15/60/47/383156047.db2.gz WNKQDXFALXNESU-UHFFFAOYSA-N 0 1 289.726 2.757 20 30 CFEDMN C=CC[N@H+](C)Cc1nc2ccccc2c(C)c1C(=O)[O-] ZINC000515069053 383157828 /nfs/dbraw/zinc/15/78/28/383157828.db2.gz XARQWHAXZHGNQL-UHFFFAOYSA-N 0 1 270.332 2.859 20 30 CFEDMN CC(C)(C)c1[nH]n(CC[C@H]2CCOC2)c(=O)c1CCC#N ZINC000516167835 383162267 /nfs/dbraw/zinc/16/22/67/383162267.db2.gz DLKREHYMDRPRQD-LBPRGKRZSA-N 0 1 291.395 2.769 20 30 CFEDMN CC(C)(C)c1[nH]n(CC[C@@H]2CCOC2)c(=O)c1CCC#N ZINC000516167834 383162548 /nfs/dbraw/zinc/16/25/48/383162548.db2.gz DLKREHYMDRPRQD-GFCCVEGCSA-N 0 1 291.395 2.769 20 30 CFEDMN Cn1ccnc1[C@@H](NCc1ccc(CC#N)cc1)C1CC1 ZINC000516467800 383164334 /nfs/dbraw/zinc/16/43/34/383164334.db2.gz UJQXYDSINYOVFW-INIZCTEOSA-N 0 1 280.375 2.727 20 30 CFEDMN CC(C)(CO)[C@H](NCc1ccc(C#N)cn1)c1ccccc1 ZINC000520423971 383255193 /nfs/dbraw/zinc/25/51/93/383255193.db2.gz SFAWNJRLAZGSHK-QGZVFWFLSA-N 0 1 295.386 2.803 20 30 CFEDMN N#Cc1ccc(CN2CCS[C@@H]3CCCC[C@H]32)nc1 ZINC000567444499 383275968 /nfs/dbraw/zinc/27/59/68/383275968.db2.gz XXMPRDBLOIXECV-HUUCEWRRSA-N 0 1 273.405 2.813 20 30 CFEDMN C=C(C)CN(CC)CC(=O)N[C@@H]1CCC[C@@H](C)[C@@H]1C ZINC000248257351 383221823 /nfs/dbraw/zinc/22/18/23/383221823.db2.gz VCPPOJCPNGOPCJ-QLFBSQMISA-N 0 1 266.429 2.825 20 30 CFEDMN C=C(C)CN(CC)[C@H](C)C(=O)N[C@@H]1CCCC[C@H]1C ZINC000249510756 383349152 /nfs/dbraw/zinc/34/91/52/383349152.db2.gz PJWVWQCZZQXZLM-RBSFLKMASA-N 0 1 266.429 2.968 20 30 CFEDMN C[C@@H]1CN2CCCC[C@@H]2CN1c1ncc2c(c1C#N)CCC2 ZINC000425228436 383344338 /nfs/dbraw/zinc/34/43/38/383344338.db2.gz KDWTUZMTBGXTMU-UKRRQHHQSA-N 0 1 296.418 2.505 20 30 CFEDMN COC(=O)c1ccc(CN2CCC(CCC#N)CC2)o1 ZINC000567790176 383315846 /nfs/dbraw/zinc/31/58/46/383315846.db2.gz QTAQUXIKSHELCE-UHFFFAOYSA-N 0 1 276.336 2.582 20 30 CFEDMN CCOC(=O)C(C)(C)N(C)CCCC(C)(C)C#N ZINC000339788914 383318718 /nfs/dbraw/zinc/31/87/18/383318718.db2.gz JBWMXYKHGRKLMC-UHFFFAOYSA-N 0 1 254.374 2.590 20 30 CFEDMN COc1cc(CN[C@@H]2COCc3ccccc32)ccc1C#N ZINC000521986968 383319721 /nfs/dbraw/zinc/31/97/21/383319721.db2.gz YJOPLVXSZHGBAO-QGZVFWFLSA-N 0 1 294.354 2.928 20 30 CFEDMN C=CCC[C@H](NCc1ccc2nc[nH]c2c1)C(=O)OCC ZINC000568473153 383405449 /nfs/dbraw/zinc/40/54/49/383405449.db2.gz JIZZLGGMFOYLNN-AWEZNQCLSA-N 0 1 287.363 2.550 20 30 CFEDMN C=CCCN(C)CC(=O)NCCc1ccc(C(C)C)cc1 ZINC000467285270 383350763 /nfs/dbraw/zinc/35/07/63/383350763.db2.gz CIPVWWZBDDOIFW-UHFFFAOYSA-N 0 1 288.435 2.977 20 30 CFEDMN C=C[C@@H]1OCC[C@H]1NCc1cscc1Br ZINC000449523696 383353227 /nfs/dbraw/zinc/35/32/27/383353227.db2.gz YBAGHXNHQSEKOG-MNOVXSKESA-N 0 1 288.210 2.944 20 30 CFEDMN N#Cc1ccc(C(=O)Nc2cccc(F)c2F)cc1O ZINC000336169342 128129330 /nfs/dbraw/zinc/12/93/30/128129330.db2.gz JLACYYRQCBSEFK-UHFFFAOYSA-N 0 1 274.226 2.794 20 30 CFEDMN C=CCC[C@H](CO)NCc1ncc(C(C)C)s1 ZINC000449695480 383361017 /nfs/dbraw/zinc/36/10/17/383361017.db2.gz FDTOFVOYFUFCFP-LLVKDONJSA-N 0 1 254.399 2.683 20 30 CFEDMN C=CC(C)(C)CNC(=O)c1cc2[nH]cnc2cc1F ZINC000425315529 383365179 /nfs/dbraw/zinc/36/51/79/383365179.db2.gz OQQUXEPCPKOLDR-UHFFFAOYSA-N 0 1 261.300 2.644 20 30 CFEDMN C=CCC1(C(=O)N[C@@H](C)Cc2cc(C)[nH]n2)CCCC1 ZINC000450154706 383383483 /nfs/dbraw/zinc/38/34/83/383383483.db2.gz DRVCTXIGUHZYDW-LBPRGKRZSA-N 0 1 275.396 2.902 20 30 CFEDMN C=C(C)CN(C)CC(=O)N(CCCC)CCCC ZINC000481240727 383424520 /nfs/dbraw/zinc/42/45/20/383424520.db2.gz SITGAPZVXNSHCA-UHFFFAOYSA-N 0 1 254.418 2.923 20 30 CFEDMN CN(Cc1cccc(F)c1C#N)C[C@H]1CCCC[C@H]1O ZINC000428317541 383450969 /nfs/dbraw/zinc/45/09/69/383450969.db2.gz CUVRBWGSZVDHQU-CZUORRHYSA-N 0 1 276.355 2.680 20 30 CFEDMN N#CC1(CN2CC[C@H](Nc3ccccc3)C2)CCC1 ZINC000450550158 383457268 /nfs/dbraw/zinc/45/72/68/383457268.db2.gz LXVSAXFDTWBFOC-HNNXBMFYSA-N 0 1 255.365 2.867 20 30 CFEDMN C=CCN(C[C@H](C)C1CCCCC1)[C@H]1CCS(=O)(=O)C1 ZINC000569142201 383472772 /nfs/dbraw/zinc/47/27/72/383472772.db2.gz GBGLNRWHLGGMAI-HOCLYGCPSA-N 0 1 299.480 2.878 20 30 CFEDMN Cc1c2cc(C#N)ccc2sc1C(=O)NCc1cnc[nH]1 ZINC000340585218 383478228 /nfs/dbraw/zinc/47/82/28/383478228.db2.gz SKQRVXLGCKJJMT-UHFFFAOYSA-N 0 1 296.355 2.735 20 30 CFEDMN C=CCN(C)C(=O)c1cc(-c2ccc(C)cc2C)[nH]n1 ZINC000427940954 383419181 /nfs/dbraw/zinc/41/91/81/383419181.db2.gz DLNQGYRLQPXGTN-UHFFFAOYSA-N 0 1 269.348 2.952 20 30 CFEDMN Cc1cc(CN[C@@H](CO)c2ccsc2)ccc1C#N ZINC000488003327 383486708 /nfs/dbraw/zinc/48/67/08/383486708.db2.gz RLYVTTHKQPWSNN-HNNXBMFYSA-N 0 1 272.373 2.751 20 30 CFEDMN C=C(C)[C@@H](NC[C@](C)(O)C(C)=O)c1ccc(F)c(F)c1 ZINC000450779239 383489027 /nfs/dbraw/zinc/48/90/27/383489027.db2.gz OMASFIKXGRHEPO-CABCVRRESA-N 0 1 283.318 2.512 20 30 CFEDMN CC(=O)c1cccc(C(=O)C(C#N)c2cc(C)nc(C)n2)c1 ZINC000340884031 383498489 /nfs/dbraw/zinc/49/84/89/383498489.db2.gz UQHQEDSSZYZUII-HNNXBMFYSA-N 0 1 293.326 2.786 20 30 CFEDMN N#Cc1c(F)cccc1CSc1nc(C2CC2)n[nH]1 ZINC000488241103 383506694 /nfs/dbraw/zinc/50/66/94/383506694.db2.gz CVCSUTZEWLXVTM-UHFFFAOYSA-N 0 1 274.324 2.985 20 30 CFEDMN N#Cc1c(F)cccc1CSc1n[nH]c(C2CC2)n1 ZINC000488241103 383506698 /nfs/dbraw/zinc/50/66/98/383506698.db2.gz CVCSUTZEWLXVTM-UHFFFAOYSA-N 0 1 274.324 2.985 20 30 CFEDMN CCC1(CO)CCN(Cc2cccc(C#N)c2F)CC1 ZINC000341134721 383579001 /nfs/dbraw/zinc/57/90/01/383579001.db2.gz XYZOWINJQPGDJB-UHFFFAOYSA-N 0 1 276.355 2.682 20 30 CFEDMN Cc1cc(CN2C[C@H](C)O[C@@H](C)[C@H]2C)ccc1C#N ZINC000488998152 383589609 /nfs/dbraw/zinc/58/96/09/383589609.db2.gz WFPSGXWVVJJDPN-MJBXVCDLSA-N 0 1 258.365 2.864 20 30 CFEDMN C=CC[N@@H+](CC1CCCCC1)[C@@H](C(=O)[O-])C1CC1 ZINC000570457084 383605987 /nfs/dbraw/zinc/60/59/87/383605987.db2.gz ZLAJLSXMRILYOA-CQSZACIVSA-N 0 1 251.370 2.918 20 30 CFEDMN N#Cc1c(F)cccc1CN1CCC[C@@H]1[C@@H]1CCC[C@H]1O ZINC000451415657 383609994 /nfs/dbraw/zinc/60/99/94/383609994.db2.gz FOTFAMJDKMVJTE-IAOVAPTHSA-N 0 1 288.366 2.823 20 30 CFEDMN C=C(C)CN(Cc1ccccc1)C(=O)[C@@H](C)N(C)C ZINC000635874222 383657961 /nfs/dbraw/zinc/65/79/61/383657961.db2.gz DCHQWMVWSQIZPT-CQSZACIVSA-N 0 1 260.381 2.541 20 30 CFEDMN C=CCN(Cc1cccs1)C(=O)C[N@@H+]1CC[C@H](C)C1 ZINC000570584476 383617407 /nfs/dbraw/zinc/61/74/07/383617407.db2.gz VCENBTBHJSTFLJ-ZDUSSCGKSA-N 0 1 278.421 2.605 20 30 CFEDMN C=CCN(Cc1cccs1)C(=O)CN1CC[C@H](C)C1 ZINC000570584476 383617412 /nfs/dbraw/zinc/61/74/12/383617412.db2.gz VCENBTBHJSTFLJ-ZDUSSCGKSA-N 0 1 278.421 2.605 20 30 CFEDMN C[C@@H]1[C@H](C(=O)C(C#N)C(=O)Nc2ccccc2)[C@H]1C1CC1 ZINC000528915156 383676138 /nfs/dbraw/zinc/67/61/38/383676138.db2.gz AKWIVHHUWXOIBP-HPEDKQMDSA-N 0 1 282.343 2.626 20 30 CFEDMN Cc1ccccc1NC(=O)CC[N@H+](C)CC(C)(C)C#N ZINC000433290895 383757753 /nfs/dbraw/zinc/75/77/53/383757753.db2.gz ULVFKAICFZSWGE-UHFFFAOYSA-N 0 1 273.380 2.805 20 30 CFEDMN Cc1ccccc1NC(=O)CCN(C)CC(C)(C)C#N ZINC000433290895 383757757 /nfs/dbraw/zinc/75/77/57/383757757.db2.gz ULVFKAICFZSWGE-UHFFFAOYSA-N 0 1 273.380 2.805 20 30 CFEDMN CN(CCCOc1ccc2c(c1)OCO2)CC(C)(C)C#N ZINC000433308981 383758768 /nfs/dbraw/zinc/75/87/68/383758768.db2.gz WBRBAXYSVKVWRG-UHFFFAOYSA-N 0 1 290.363 2.666 20 30 CFEDMN N#Cc1csc(C[N@@H+]2[C@@H]3CCCC[C@H]3C[C@H]2C(=O)[O-])c1 ZINC000263505924 383672701 /nfs/dbraw/zinc/67/27/01/383672701.db2.gz MBVANQYGPXKZRW-YUTCNCBUSA-N 0 1 290.388 2.837 20 30 CFEDMN CC(C)(C)CN(CCC#N)C[C@H]1CCCC[C@@H]1O ZINC000572768504 383814796 /nfs/dbraw/zinc/81/47/96/383814796.db2.gz BWCKDVGHFLUJNV-KGLIPLIRSA-N 0 1 252.402 2.799 20 30 CFEDMN C=C[C@](C)(O)CC(=O)Nc1[nH]nc(-c2ccc(C)o2)c1C ZINC000280979508 195056757 /nfs/dbraw/zinc/05/67/57/195056757.db2.gz LCSCSJDQCIPOCU-HNNXBMFYSA-N 0 1 289.335 2.552 20 30 CFEDMN CN1CCN(C(=O)C[C@@H](CC#N)c2ccccc2)CC1(C)C ZINC000572540807 383791512 /nfs/dbraw/zinc/79/15/12/383791512.db2.gz JOERXOOMVNGUEU-MRXNPFEDSA-N 0 1 299.418 2.627 20 30 CFEDMN C=C(C)C[C@@H](C)C(=O)N1CCN(C)[C@H](C(C)(C)C)C1 ZINC000640622704 383854808 /nfs/dbraw/zinc/85/48/08/383854808.db2.gz MDDWLRKYALAMFG-KGLIPLIRSA-N 0 1 266.429 2.777 20 30 CFEDMN C=CCOCCCC(=O)Nc1cc(C(=O)CC)ccc1O ZINC000436648674 383863113 /nfs/dbraw/zinc/86/31/13/383863113.db2.gz UOROSVMAOHXVHF-UHFFFAOYSA-N 0 1 291.347 2.906 20 30 CFEDMN N#Cc1ccc(CNC[C@H]2CSc3ccccc3O2)o1 ZINC000573119734 383876610 /nfs/dbraw/zinc/87/66/10/383876610.db2.gz LPBJFWDVXVRZAK-ZDUSSCGKSA-N 0 1 286.356 2.794 20 30 CFEDMN C=CCN(CC=C)C(=O)[C@H](C)N1CC[C@H]1Cc1ccccc1 ZINC000437828387 383912216 /nfs/dbraw/zinc/91/22/16/383912216.db2.gz LMHUAYGJBJKOEY-WMZOPIPTSA-N 0 1 298.430 2.893 20 30 CFEDMN Cc1ccccc1CN1CCN(c2cccc(C#N)n2)CC1 ZINC000265512628 383937670 /nfs/dbraw/zinc/93/76/70/383937670.db2.gz KNEKGUYCUGIIIF-UHFFFAOYSA-N 0 1 292.386 2.584 20 30 CFEDMN COc1ccc(C#N)cc1CN1CCC[C@H]2COCC[C@@H]21 ZINC000438524575 384016330 /nfs/dbraw/zinc/01/63/30/384016330.db2.gz RRFBWCNOTVABLN-HOCLYGCPSA-N 0 1 286.375 2.568 20 30 CFEDMN CC(C)CN(C(=O)CN1CC[C@H](C)C1)c1ccc(C#N)cc1 ZINC000574782127 384147288 /nfs/dbraw/zinc/14/72/88/384147288.db2.gz RGKULBSWJLUSFN-HNNXBMFYSA-N 0 1 299.418 2.889 20 30 CFEDMN CC[C@@H](C)c1nc([C@H](C)Nc2cccc(C#N)n2)n[nH]1 ZINC000277460993 384308059 /nfs/dbraw/zinc/30/80/59/384308059.db2.gz QNDVFDZJORJFED-ZJUUUORDSA-N 0 1 270.340 2.758 20 30 CFEDMN C#CCCCCC(=O)N[C@H](C)c1n[nH]c([C@@H](C)CC)n1 ZINC000277680711 384373791 /nfs/dbraw/zinc/37/37/91/384373791.db2.gz CBPRSBNXPFSILD-NWDGAFQWSA-N 0 1 276.384 2.689 20 30 CFEDMN CC[C@H](C)c1nc([C@H](C)NC(=O)c2cccc(C#N)c2)n[nH]1 ZINC000277723013 384386591 /nfs/dbraw/zinc/38/65/91/384386591.db2.gz FXTFZVIACBKHPO-QWRGUYRKSA-N 0 1 297.362 2.681 20 30 CFEDMN C#CCN1CCC(c2nc(-c3cc(C)oc3C)no2)CC1 ZINC000277937172 384444505 /nfs/dbraw/zinc/44/45/05/384444505.db2.gz KPLWLKNAAAGEAR-UHFFFAOYSA-N 0 1 285.347 2.759 20 30 CFEDMN C=CCCCN1CCOC[C@H]1C[C@@H](O)c1cccs1 ZINC000267904952 384487129 /nfs/dbraw/zinc/48/71/29/384487129.db2.gz KMWRPNVHVBKVJH-ZIAGYGMSSA-N 0 1 281.421 2.839 20 30 CFEDMN C=CCN1CC[C@H](N(CC)Cc2ccccc2C)C1=O ZINC000281153331 195126844 /nfs/dbraw/zinc/12/68/44/195126844.db2.gz BKOHZVFMRIHBIQ-INIZCTEOSA-N 0 1 272.392 2.604 20 30 CFEDMN CCC[C@H](C)N(C)CC(=O)Nc1oc(C)c(C)c1C#N ZINC000269509840 384773285 /nfs/dbraw/zinc/77/32/85/384773285.db2.gz OFDRGGYXFFZZSJ-JTQLQIEISA-N 0 1 277.368 2.827 20 30 CFEDMN CCn1nccc1CNC1(c2cccc(C#N)c2)CC1 ZINC000269897780 384897259 /nfs/dbraw/zinc/89/72/59/384897259.db2.gz XYTIWPGZXMZAHF-UHFFFAOYSA-N 0 1 266.348 2.554 20 30 CFEDMN C=CCCOCCNCc1cc(OC)c(O)cc1Cl ZINC000638811949 384941958 /nfs/dbraw/zinc/94/19/58/384941958.db2.gz OFRVWZLJLQEPOK-UHFFFAOYSA-N 0 1 285.771 2.737 20 30 CFEDMN C=CCCC(C)(C)CNC(=O)[C@@H](N)c1cccc(OC)c1 ZINC000638865887 384998176 /nfs/dbraw/zinc/99/81/76/384998176.db2.gz NCWHINNYRCVXBP-HNNXBMFYSA-N 0 1 290.407 2.804 20 30 CFEDMN C=C(C)C(C)(C)C(=O)Nc1cnn(-c2ccncc2)c1 ZINC000644620119 384962040 /nfs/dbraw/zinc/96/20/40/384962040.db2.gz LFWNLLUODNOVRQ-UHFFFAOYSA-N 0 1 270.336 2.808 20 30 CFEDMN N#C[C@@H]1CC[C@H]([NH+]2CCC(C(=O)c3ccc([O-])cc3)CC2)C1 ZINC000645092111 385183362 /nfs/dbraw/zinc/18/33/62/385183362.db2.gz JRMZIOVWNBQOLO-CJNGLKHVSA-N 0 1 298.386 2.979 20 30 CFEDMN C=CCN1CC[C@@H](N(C)Cc2ccc(C)cc2C)C1=O ZINC000281260858 385189965 /nfs/dbraw/zinc/18/99/65/385189965.db2.gz NCTMAQMIZVZSPK-MRXNPFEDSA-N 0 1 272.392 2.522 20 30 CFEDMN COCC#CCNC(C)(C)c1cc(Cl)ccc1OC ZINC000644951038 385143110 /nfs/dbraw/zinc/14/31/10/385143110.db2.gz SOKDTRIEFNRMLK-UHFFFAOYSA-N 0 1 281.783 2.823 20 30 CFEDMN C#Cc1cccc(NC(=O)N[C@H](C)c2n[nH]c(C(C)C)n2)c1 ZINC000270747616 385213475 /nfs/dbraw/zinc/21/34/75/385213475.db2.gz ODDHCMFJPMIEEY-LLVKDONJSA-N 0 1 297.362 2.792 20 30 CFEDMN Cc1cc([C@@H]2CCCN(c3nc(C)cc(C)c3C#N)C2)[nH]n1 ZINC000282280742 385269976 /nfs/dbraw/zinc/26/99/76/385269976.db2.gz POEGSZXYAMRGKE-CQSZACIVSA-N 0 1 295.390 2.986 20 30 CFEDMN C#CCCCN1CCN(c2cc(F)ccc2F)CC1 ZINC000271004019 385298909 /nfs/dbraw/zinc/29/89/09/385298909.db2.gz GPNXYUGKQURBAR-UHFFFAOYSA-N 0 1 264.319 2.500 20 30 CFEDMN C#CCN(CC)Cc1c[nH]nc1-c1ccc(OC)cc1 ZINC000271126392 385344371 /nfs/dbraw/zinc/34/43/71/385344371.db2.gz HMKUXUHSAQYLIJ-UHFFFAOYSA-N 0 1 269.348 2.540 20 30 CFEDMN C=CCN(CCc1ccccc1)Cc1cnc(N(C)C)nc1 ZINC000271131209 385345416 /nfs/dbraw/zinc/34/54/16/385345416.db2.gz KHFDXYMBKCBHDN-UHFFFAOYSA-N 0 1 296.418 2.773 20 30 CFEDMN CC(C)c1nc([C@H](C)NC(=O)C2(C#N)CCCCC2)n[nH]1 ZINC000271161976 385357978 /nfs/dbraw/zinc/35/79/78/385357978.db2.gz RRBIRUKIFCJIED-NSHDSACASA-N 0 1 289.383 2.579 20 30 CFEDMN CCc1nc([C@H](C)N[C@H](C)c2ccc(C#N)cc2)n[nH]1 ZINC000271912364 385399402 /nfs/dbraw/zinc/39/94/02/385399402.db2.gz YEMRSTDOTISLGH-MNOVXSKESA-N 0 1 269.352 2.651 20 30 CFEDMN Cc1n[nH]cc1CN[C@@H](C)c1ccc(C#N)c(F)c1 ZINC000271967777 385413908 /nfs/dbraw/zinc/41/39/08/385413908.db2.gz SYTHMJOOCBRSEQ-VIFPVBQESA-N 0 1 258.300 2.580 20 30 CFEDMN N#Cc1sc(N[C@H]2CCCc3cn[nH]c32)nc1Cl ZINC000283765305 385497074 /nfs/dbraw/zinc/49/70/74/385497074.db2.gz NRWVMFKJQMBIAX-ZETCQYMHSA-N 0 1 279.756 2.881 20 30 CFEDMN CC(C)(C)[C@H]1CCN(Cc2ccc(C#N)cc2F)C[C@H]1O ZINC000272357371 385517862 /nfs/dbraw/zinc/51/78/62/385517862.db2.gz RQAWTKBWHCCWKL-GOEBONIOSA-N 0 1 290.382 2.926 20 30 CFEDMN N#Cc1ccc(N2CCN([C@@H]3C=CCCCCC3)CC2)nc1 ZINC000283953634 385517951 /nfs/dbraw/zinc/51/79/51/385517951.db2.gz HQLVDASHPFILPD-QGZVFWFLSA-N 0 1 296.418 2.964 20 30 CFEDMN C=CCCCCC[N@H+](C)[C@H]1CCN(C2CCC2)C1=O ZINC000639496649 385560809 /nfs/dbraw/zinc/56/08/09/385560809.db2.gz VQEXCGIGOZDOCR-HNNXBMFYSA-N 0 1 264.413 2.818 20 30 CFEDMN C#CCN(Cc1cccc(OCCCOC)c1)C1CC1 ZINC000274062131 385711523 /nfs/dbraw/zinc/71/15/23/385711523.db2.gz DOGKDAPTXZAWIM-UHFFFAOYSA-N 0 1 273.376 2.700 20 30 CFEDMN C=CCOCC[N@H+]1CC[C@@H](c2ccc3cccnc3n2)C1 ZINC000639793969 385712721 /nfs/dbraw/zinc/71/27/21/385712721.db2.gz XQQASJKWPMMMOK-OAHLLOKOSA-N 0 1 283.375 2.622 20 30 CFEDMN C=CCCCCCCNC(=O)CCSc1nnc(C)[nH]1 ZINC000286986231 385756809 /nfs/dbraw/zinc/75/68/09/385756809.db2.gz JSEMWVSIXJLYIY-UHFFFAOYSA-N 0 1 296.440 2.848 20 30 CFEDMN C=C(C)CCN1CCN(c2ncc(C)s2)CC1 ZINC000274796047 385873702 /nfs/dbraw/zinc/87/37/02/385873702.db2.gz PKBSWUFSGSBOQO-UHFFFAOYSA-N 0 1 251.399 2.540 20 30 CFEDMN C=C(C)CCN1CCOC[C@@H]1C[C@@H](O)c1cccs1 ZINC000274817135 385876871 /nfs/dbraw/zinc/87/68/71/385876871.db2.gz XBJRVTYXPHRXIN-UONOGXRCSA-N 0 1 281.421 2.839 20 30 CFEDMN C#CCC(CC#C)C(=O)Nc1[nH]nc(-c2ccc(C)o2)c1C ZINC000288079677 197000429 /nfs/dbraw/zinc/00/04/29/197000429.db2.gz HETRDXPOSDUKCZ-UHFFFAOYSA-N 0 1 295.342 2.888 20 30 CFEDMN C=CC[C@@H](CC)NCc1csc(N(CC)C(C)=O)n1 ZINC000281222283 195156057 /nfs/dbraw/zinc/15/60/57/195156057.db2.gz DEPYPQCXSOPMCF-GFCCVEGCSA-N 0 1 281.425 2.960 20 30 CFEDMN C=CC[C@@H](C(=O)N1CCN(CC)[C@H](C)C1)c1ccccc1 ZINC000681738126 542483165 /nfs/dbraw/zinc/48/31/65/542483165.db2.gz GEYVQNLPTDGOIP-NVXWUHKLSA-N 0 1 286.419 2.899 20 30 CFEDMN C=CCN1CC[C@@H](N[C@@H](C)c2ccccc2SC)C1=O ZINC000281594987 195301862 /nfs/dbraw/zinc/30/18/62/195301862.db2.gz FGJNZILGFUUUEF-GXTWGEPZSA-N 0 1 290.432 2.846 20 30 CFEDMN CO[C@](C)([C@H](C)NCc1cccc(F)c1C#N)C1CC1 ZINC000411968286 533355649 /nfs/dbraw/zinc/35/56/49/533355649.db2.gz JJXMKJDTKNOIDV-MEDUHNTESA-N 0 1 276.355 2.991 20 30 CFEDMN CC[C@@H](C)CN1CCO[C@@H](c2cccc(C#N)c2)C1 ZINC000341805936 130068548 /nfs/dbraw/zinc/06/85/48/130068548.db2.gz CUWKQMIVQRZNFS-CZUORRHYSA-N 0 1 258.365 2.978 20 30 CFEDMN COCC#CCN1CC[C@@H](C(F)(F)F)C(C)(C)C1 ZINC000683036109 542632916 /nfs/dbraw/zinc/63/29/16/542632916.db2.gz DIVJMTBIDUNMSF-LLVKDONJSA-N 0 1 263.303 2.547 20 30 CFEDMN C=CC[C@H]1N(C(=O)NCc2cc(C)[nH]n2)CCCC1(C)C ZINC000683565230 542699779 /nfs/dbraw/zinc/69/97/79/542699779.db2.gz VCCMRTALOLHDAN-CQSZACIVSA-N 0 1 290.411 2.994 20 30 CFEDMN C[C@@H](N[C@@H](C)c1cccc(C#N)c1)c1cnn(C)c1 ZINC000268929280 132090218 /nfs/dbraw/zinc/09/02/18/132090218.db2.gz LTYNEFIEUWDUFY-NWDGAFQWSA-N 0 1 254.337 2.704 20 30 CFEDMN C=C(C)CN1CCC(Nc2nnc(C(F)F)s2)CC1 ZINC000269403508 132165806 /nfs/dbraw/zinc/16/58/06/132165806.db2.gz XMLMCCUOGPTCJR-UHFFFAOYSA-N 0 1 288.367 2.928 20 30 CFEDMN C#CCCN[C@H](c1nnc[nH]1)c1cccc(C(F)(F)F)c1 ZINC000372634204 393452812 /nfs/dbraw/zinc/45/28/12/393452812.db2.gz VVZOAAPAQYEAGX-LBPRGKRZSA-N 0 1 294.280 2.526 20 30 CFEDMN C=CCN1CC[C@H](N(CC)[C@@H]2CCCc3cccnc32)C1=O ZINC000374084209 393482918 /nfs/dbraw/zinc/48/29/18/393482918.db2.gz OSWCBWATQDGIGR-CVEARBPZSA-N 0 1 299.418 2.568 20 30 CFEDMN N#Cc1cccc(Nc2cccc(N3CCC[NH+]=C3[O-])c2)n1 ZINC000301827158 393478889 /nfs/dbraw/zinc/47/88/89/393478889.db2.gz JLWUMVIBVMHZQO-UHFFFAOYSA-N 0 1 293.330 2.617 20 30 CFEDMN O=C(Nc1ccc2nc[nH]c2c1)[C@@H]1[C@H]2CCCO[C@H]21 ZINC000329511902 393540508 /nfs/dbraw/zinc/54/05/08/393540508.db2.gz NHXHLZMEQOWEMY-OASPWFOLSA-N 0 1 257.293 2.576 20 30 CFEDMN CC(=O)c1ccc2c(c1)CCN(CCCC#N)CC2 ZINC000374331795 393493829 /nfs/dbraw/zinc/49/38/29/393493829.db2.gz QJGXPMHOYCXFTF-UHFFFAOYSA-N 0 1 256.349 2.594 20 30 CFEDMN C=C(C)CN(CC)[C@@H]1CCCN(c2ccc(C#N)cc2)C1=O ZINC000182629434 393511339 /nfs/dbraw/zinc/51/13/39/393511339.db2.gz XOSPHWAVWGUQSI-QGZVFWFLSA-N 0 1 297.402 2.952 20 30 CFEDMN Cc1ccc(C#N)c(N[C@@H]2CN(C)Cc3ccccc32)n1 ZINC000378341153 393545045 /nfs/dbraw/zinc/54/50/45/393545045.db2.gz STGSFLGVMDRSNG-MRXNPFEDSA-N 0 1 278.359 2.860 20 30 CFEDMN C[C@@H](NCc1cccc(C#N)c1)C(=O)Nc1ccccc1 ZINC000037502358 393532518 /nfs/dbraw/zinc/53/25/18/393532518.db2.gz RNIOXJJGOLHEBR-CYBMUJFWSA-N 0 1 279.343 2.675 20 30 CFEDMN [O-]C(=[NH+][C@@H]1CCn2ccnc2C1)N1CC[C@H]1c1ccccc1 ZINC000330170225 393551513 /nfs/dbraw/zinc/55/15/13/393551513.db2.gz BSANKONHZCJYIT-CABCVRRESA-N 0 1 296.374 2.559 20 30 CFEDMN CC(C)[C@@H]1CCCN1C(=O)N[C@@H]1CCCc2cn[nH]c21 ZINC000330122152 393551629 /nfs/dbraw/zinc/55/16/29/393551629.db2.gz HFARDXGCAAYDRG-OLZOCXBDSA-N 0 1 276.384 2.822 20 30 CFEDMN COc1ccc(NC(=O)c2ccc(C#N)c(O)c2)c(OC)c1 ZINC000188216245 393562567 /nfs/dbraw/zinc/56/25/67/393562567.db2.gz YOLQWWAQSPYNAB-UHFFFAOYSA-N 0 1 298.298 2.533 20 30 CFEDMN C=CCN(CCC(=O)CC)Cc1cccc(C#N)c1 ZINC000190201865 393578479 /nfs/dbraw/zinc/57/84/79/393578479.db2.gz IMUPQOVXOAUXPI-UHFFFAOYSA-N 0 1 256.349 2.915 20 30 CFEDMN CC(C)n1cc(C#N)c(=NC(=O)[C@@H]2CC[C@@H](C)[C@H](C)C2)[nH]1 ZINC000410539953 393629435 /nfs/dbraw/zinc/62/94/35/393629435.db2.gz LBUODHOHARCRKG-JHJVBQTASA-N 0 1 288.395 2.768 20 30 CFEDMN C[C@H](N[C@H]1CCc2ccc(C#N)cc21)c1cnn(C)c1 ZINC000336191106 393722583 /nfs/dbraw/zinc/72/25/83/393722583.db2.gz UOSDQUPLRWUOQI-ZBEGNZNMSA-N 0 1 266.348 2.630 20 30 CFEDMN Cc1cnn(CCCCCN(C[C@H](C)C#N)C2CC2)c1 ZINC000338383347 393786010 /nfs/dbraw/zinc/78/60/10/393786010.db2.gz QRRNNJCEDAXIMN-CQSZACIVSA-N 0 1 274.412 2.986 20 30 CFEDMN C=CCOCCN1CCN(Cc2ccccc2Cl)CC1 ZINC000339022465 393810864 /nfs/dbraw/zinc/81/08/64/393810864.db2.gz OKYXAQOVMSGXOE-UHFFFAOYSA-N 0 1 294.826 2.660 20 30 CFEDMN N#CCCOCCN1CC[C@@H](c2c(F)cccc2F)C1 ZINC000339097322 393817748 /nfs/dbraw/zinc/81/77/48/393817748.db2.gz UDKVZTLKHZWUPJ-GFCCVEGCSA-N 0 1 280.318 2.684 20 30 CFEDMN C=CCCOCCCCC(=O)N1C[C@H](C)N(CC)C[C@H]1C ZINC000343045568 393878536 /nfs/dbraw/zinc/87/85/36/393878536.db2.gz NDCCETVATINVQO-JKSUJKDBSA-N 0 1 296.455 2.691 20 30 CFEDMN CCCN(CC#N)C(=O)c1cc(-c2cccs2)[nH]n1 ZINC000098022396 393842174 /nfs/dbraw/zinc/84/21/74/393842174.db2.gz ATGZLQDWUYEMDP-UHFFFAOYSA-N 0 1 274.349 2.514 20 30 CFEDMN C=CCOc1ccc(CN(C)Cc2cnc[nH]2)cc1 ZINC000684616185 542837631 /nfs/dbraw/zinc/83/76/31/542837631.db2.gz MKGIUZMITSLYQG-UHFFFAOYSA-N 0 1 257.337 2.607 20 30 CFEDMN CO[C@H]1[C@H]2[C@H]3C[C@@H]1C[C@H]3CN2Cc1cccc(F)c1C#N ZINC000428936750 393923162 /nfs/dbraw/zinc/92/31/62/393923162.db2.gz BXCGSDSFPKQFRP-AVVLXZEZSA-N 0 1 286.350 2.553 20 30 CFEDMN CC[C@H](C#N)S(=O)(=O)Nc1ccc2nc(C)sc2c1 ZINC000416939033 393946053 /nfs/dbraw/zinc/94/60/53/393946053.db2.gz GHIDCNXKOHOJGZ-SNVBAGLBSA-N 0 1 295.389 2.649 20 30 CFEDMN N#CCSCCCN1CCN(c2cccs2)CC1 ZINC000121442775 393955976 /nfs/dbraw/zinc/95/59/76/393955976.db2.gz AMZGHBYMBVKLEH-UHFFFAOYSA-N 0 1 281.450 2.517 20 30 CFEDMN N#CC1(F)CCN(Cc2cccc3cc[nH]c32)CC1 ZINC000348706366 393956305 /nfs/dbraw/zinc/95/63/05/393956305.db2.gz HKNCFJQWBIBXMM-UHFFFAOYSA-N 0 1 257.312 2.996 20 30 CFEDMN CC(C)(C#N)c1ccccc1CSc1cn[nH]n1 ZINC000121798050 393960221 /nfs/dbraw/zinc/96/02/21/393960221.db2.gz LWCBPOSUNWJYMF-UHFFFAOYSA-N 0 1 258.350 2.898 20 30 CFEDMN Cc1ccc(CN(C)Cc2ccc(C#N)cc2)nc1 ZINC000122129579 393964924 /nfs/dbraw/zinc/96/49/24/393964924.db2.gz VDKMTVHSZDKDEQ-UHFFFAOYSA-N 0 1 251.333 2.894 20 30 CFEDMN C[C@H](N[C@@H]1c2ccccc2C[C@@H]1O)c1ccc(C#N)cc1 ZINC000269240167 394003014 /nfs/dbraw/zinc/00/30/14/394003014.db2.gz HPJBUHHMUFZSAC-UYHISHBKSA-N 0 1 278.355 2.867 20 30 CFEDMN C#C[C@H](CC)NCc1cccc(OC)c1OC(C)C ZINC000491672086 394055503 /nfs/dbraw/zinc/05/55/03/394055503.db2.gz GTESIHRKZQXTJM-CQSZACIVSA-N 0 1 261.365 2.984 20 30 CFEDMN C=C(C)CN(CC)Cc1cc2c(cc1OC)OCO2 ZINC000355387418 394064262 /nfs/dbraw/zinc/06/42/62/394064262.db2.gz SGYVAAOSKIXLEZ-UHFFFAOYSA-N 0 1 263.337 2.822 20 30 CFEDMN C=CCN1CC[C@@H](N(C)[C@@H](C)c2ccc(F)cc2)C1=O ZINC000281921577 394094451 /nfs/dbraw/zinc/09/44/51/394094451.db2.gz HHRJDGADWAEDPD-SWLSCSKDSA-N 0 1 276.355 2.605 20 30 CFEDMN C=C(C)COCCN[C@H](C)c1ccc(C#N)cc1F ZINC000358556514 394109643 /nfs/dbraw/zinc/10/96/43/394109643.db2.gz MHWGLYNXHOBRCE-GFCCVEGCSA-N 0 1 262.328 2.941 20 30 CFEDMN CN(Cc1ccc(C#N)cc1Cl)C[C@H]1CCC[C@@H]1O ZINC000439450635 394115535 /nfs/dbraw/zinc/11/55/35/394115535.db2.gz KIMVQVLRBMXZQY-HIFRSBDPSA-N 0 1 278.783 2.804 20 30 CFEDMN COC(=O)CCN(Cc1ccc(C#N)cc1Cl)C(C)C ZINC000439436658 394115958 /nfs/dbraw/zinc/11/59/58/394115958.db2.gz IYHYKESGPLXTJU-UHFFFAOYSA-N 0 1 294.782 2.985 20 30 CFEDMN COc1ccc(C#N)cc1C[N@H+](C)CCCn1cc[nH+]c1C ZINC000130829705 394120729 /nfs/dbraw/zinc/12/07/29/394120729.db2.gz IZAPLVPLMUKKDF-UHFFFAOYSA-N 0 1 298.390 2.594 20 30 CFEDMN C=CCN1CC[C@@H](N2CCCCC[C@H]2c2ccco2)C1=O ZINC000282136612 394121818 /nfs/dbraw/zinc/12/18/18/394121818.db2.gz ZFVANIWOGGDJNX-LSDHHAIUSA-N 0 1 288.391 2.984 20 30 CFEDMN CC[C@](C)(C#N)C(=O)N[C@H]1CCCN(Cc2ccccc2)C1 ZINC000285320458 394140646 /nfs/dbraw/zinc/14/06/46/394140646.db2.gz XIELCMPSOPZRGG-FUHWJXTLSA-N 0 1 299.418 2.707 20 30 CFEDMN COC(=O)[C@H]1C[C@@H](C)CCN1CCCC(C)(C)C#N ZINC000360539853 394154081 /nfs/dbraw/zinc/15/40/81/394154081.db2.gz JXCJHXYBSNIGSV-QWHCGFSZSA-N 0 1 266.385 2.590 20 30 CFEDMN C=C(C)COc1cccc(NC(=O)[C@@H]2C[C@H]2c2nc[nH]n2)c1 ZINC000361036074 394163680 /nfs/dbraw/zinc/16/36/80/394163680.db2.gz QUVJPSXXUFQRTB-ZIAGYGMSSA-N 0 1 298.346 2.502 20 30 CFEDMN C=C[C@@H](CO)N[C@H](C)c1cc(Br)ccc1F ZINC000289945657 394224568 /nfs/dbraw/zinc/22/45/68/394224568.db2.gz WEOIZDBTKLBCDW-SCZZXKLOSA-N 0 1 288.160 2.786 20 30 CFEDMN C=C[C@H](CO)N[C@H](C)c1cc(Br)ccc1F ZINC000289945655 394224908 /nfs/dbraw/zinc/22/49/08/394224908.db2.gz WEOIZDBTKLBCDW-PSASIEDQSA-N 0 1 288.160 2.786 20 30 CFEDMN Cc1cccc(NS(=O)(=O)c2cccc(C)c2C#N)c1 ZINC000137185535 394237522 /nfs/dbraw/zinc/23/75/22/394237522.db2.gz DCECQCXSHOLXIC-UHFFFAOYSA-N 0 1 286.356 2.976 20 30 CFEDMN C=CCC[C@H](NC[C@@H](O)C(F)(F)F)c1ccco1 ZINC000286055296 394185215 /nfs/dbraw/zinc/18/52/15/394185215.db2.gz LENBPXHHAYQRPS-GXSJLCMTSA-N 0 1 263.259 2.800 20 30 CFEDMN C[C@@H](NCC1(C#N)CCC1)[C@H]1COc2ccccc21 ZINC000450740029 394331644 /nfs/dbraw/zinc/33/16/44/394331644.db2.gz SLIQQMXCUJLADL-TZMCWYRMSA-N 0 1 256.349 2.835 20 30 CFEDMN C=CCOc1cccc(CNC2(CF)CCOCC2)c1 ZINC000449447185 394277546 /nfs/dbraw/zinc/27/75/46/394277546.db2.gz XYHJVKZLSQXUGJ-UHFFFAOYSA-N 0 1 279.355 2.860 20 30 CFEDMN CC(C)(C)CN(CCC#N)C(=O)[C@@H]1CCCc2c[nH]nc21 ZINC000372217578 394308108 /nfs/dbraw/zinc/30/81/08/394308108.db2.gz LYGWWEPZRYLYQT-CYBMUJFWSA-N 0 1 288.395 2.618 20 30 CFEDMN C[C@@]1(F)CCCN(CCC(=O)Nc2cccc(C#N)c2)C1 ZINC000451117098 394359190 /nfs/dbraw/zinc/35/91/90/394359190.db2.gz UBRMRZDGLPYWML-MRXNPFEDSA-N 0 1 289.354 2.711 20 30 CFEDMN N#Cc1cc(F)c(N2CCCN(C3CC3)CC2)c(F)c1 ZINC000171831473 394372481 /nfs/dbraw/zinc/37/24/81/394372481.db2.gz WKNJCSFIIBLFGE-UHFFFAOYSA-N 0 1 277.318 2.511 20 30 CFEDMN N#Cc1[n-]c(=NC[C@H]2CC[N@H+]2C2CCCC2)sc1Cl ZINC000528207328 394402534 /nfs/dbraw/zinc/40/25/34/394402534.db2.gz CDHSHQIOAUAZQK-SNVBAGLBSA-N 0 1 296.827 2.519 20 30 CFEDMN Cc1nsc(NC[C@@H]2CCN2C2CCCC2)c1C#N ZINC000528213515 394403459 /nfs/dbraw/zinc/40/34/59/394403459.db2.gz ZHDYKNUSQCUROX-LBPRGKRZSA-N 0 1 276.409 2.752 20 30 CFEDMN CC[C@H]1C[C@@H](C)CN1Cc1cccc(C(=O)OC)c1C#N ZINC000535963234 394550964 /nfs/dbraw/zinc/55/09/64/394550964.db2.gz LKGGLYSOIGKMOW-OCCSQVGLSA-N 0 1 286.375 2.965 20 30 CFEDMN C[C@@H](c1ccc(C#N)cc1)[N@H+]1CCN(C)C(C)(C)C1 ZINC000556089490 394989992 /nfs/dbraw/zinc/98/99/92/394989992.db2.gz YKJUMOWOESKZLP-ZDUSSCGKSA-N 0 1 257.381 2.645 20 30 CFEDMN CC[C@H]1C[N@@H+](C)CCN1c1ccc(C(F)(F)F)c(C#N)n1 ZINC000558982094 395080688 /nfs/dbraw/zinc/08/06/88/395080688.db2.gz ZTISUVRASISLAG-JTQLQIEISA-N 0 1 298.312 2.502 20 30 CFEDMN CC[C@H]1CN(C)CCN1c1ccc(C(F)(F)F)c(C#N)n1 ZINC000558982094 395080692 /nfs/dbraw/zinc/08/06/92/395080692.db2.gz ZTISUVRASISLAG-JTQLQIEISA-N 0 1 298.312 2.502 20 30 CFEDMN C=CCNC(=O)CN1CCCC[C@H]1Cc1ccccc1F ZINC000649795216 395571290 /nfs/dbraw/zinc/57/12/90/395571290.db2.gz GWZVFKWXEULOTP-HNNXBMFYSA-N 0 1 290.382 2.525 20 30 CFEDMN C=CCCCCCN1CC(C)(C)O[C@@H]2COC[C@H]21 ZINC000649913253 395590574 /nfs/dbraw/zinc/59/05/74/395590574.db2.gz DFHSVILGVDHEAZ-ZIAGYGMSSA-N 0 1 253.386 2.611 20 30 CFEDMN C=CCOc1cccc(NC(=O)CCc2cnc[nH]2)c1 ZINC000189229605 543067912 /nfs/dbraw/zinc/06/79/12/543067912.db2.gz XGJYLZKRNLNIKW-UHFFFAOYSA-N 0 1 271.320 2.546 20 30 CFEDMN C=CCN(Cc1cccs1)C(=O)CCc1cnc[nH]1 ZINC000192491071 543083287 /nfs/dbraw/zinc/08/32/87/543083287.db2.gz WQAFEBBUEGYNPV-UHFFFAOYSA-N 0 1 275.377 2.619 20 30 CFEDMN C[C@H]1COCCN(CC#Cc2ccc(Cl)cc2)C1 ZINC000334166832 413104641 /nfs/dbraw/zinc/10/46/41/413104641.db2.gz AFNIBCOSEJAWLF-CYBMUJFWSA-N 0 1 263.768 2.660 20 30 CFEDMN Cc1cccc(NC(=O)CN(C)CCCCC#N)c1C ZINC000198681112 397614144 /nfs/dbraw/zinc/61/41/44/397614144.db2.gz SJUPCJVJLACJAA-UHFFFAOYSA-N 0 1 273.380 2.868 20 30 CFEDMN CCN(Cc1nc(C#N)cs1)[C@H]1CCOC(C)(C)C1 ZINC000356258803 155199995 /nfs/dbraw/zinc/19/99/95/155199995.db2.gz MKEUKAZSCZCGDQ-LBPRGKRZSA-N 0 1 279.409 2.794 20 30 CFEDMN C[C@H]1CCN(Cc2ccc(C#N)cc2C(F)(F)F)[C@H]1CO ZINC000356425817 155261241 /nfs/dbraw/zinc/26/12/41/155261241.db2.gz NNFLRBSJPDFGAS-HZMBPMFUSA-N 0 1 298.308 2.780 20 30 CFEDMN CN(Cc1ccc(F)cc1C#N)[C@@H]1[C@H]2CCO[C@H]2C1(C)C ZINC000363916635 156205450 /nfs/dbraw/zinc/20/54/50/156205450.db2.gz DKPJDACUSAYALE-BZUAXINKSA-N 0 1 288.366 2.943 20 30 CFEDMN N#Cc1ccc(CN2CCC[C@](CO)(c3ccccc3)C2)o1 ZINC000375007917 157183642 /nfs/dbraw/zinc/18/36/42/157183642.db2.gz IAGSQIOZKDRFBN-SFHVURJKSA-N 0 1 296.370 2.677 20 30 CFEDMN N#Cc1ccc(CN2CCCC[C@H]2Cn2cccn2)cc1F ZINC000375975321 157311099 /nfs/dbraw/zinc/31/10/99/157311099.db2.gz RBGFCPHSWCNNSI-INIZCTEOSA-N 0 1 298.365 2.949 20 30 CFEDMN C=CCCn1cc(CN(C2CC2)C2CCCC2)nn1 ZINC000653554370 413366478 /nfs/dbraw/zinc/36/64/78/413366478.db2.gz AAFWXDBGVGANSD-UHFFFAOYSA-N 0 1 260.385 2.761 20 30 CFEDMN C=CCN1C(=O)N=NC1SC[C@@H]1CC[C@H]2C[C@H]2C1 ZINC000657252099 413366171 /nfs/dbraw/zinc/36/61/71/413366171.db2.gz SAMAVIYMXRVFJB-OUAUKWLOSA-N 0 1 265.382 2.698 20 30 CFEDMN C[C@H]1CCCc2[nH+]cc(C([O-])=C(C#N)c3ccccn3)n21 ZINC000651263357 413384287 /nfs/dbraw/zinc/38/42/87/413384287.db2.gz LMAPSJAEBYLQJD-RYUDHWBXSA-N 0 1 280.331 2.665 20 30 CFEDMN C=CCCn1cc(CN[C@H]2CCCO[C@H]2CC(C)C)nn1 ZINC000653622478 413409451 /nfs/dbraw/zinc/40/94/51/413409451.db2.gz FULNRSSZNUYAOR-HOTGVXAUSA-N 0 1 292.427 2.538 20 30 CFEDMN CN(CC[C@@H]1CCCO1)Cc1ccc(F)cc1C#N ZINC000342609796 161670540 /nfs/dbraw/zinc/67/05/40/161670540.db2.gz VWRVQPLZGWRLFZ-HNNXBMFYSA-N 0 1 262.328 2.698 20 30 CFEDMN C[C@H](NCc1ccc(C(N)=O)cc1)c1ccc(C#N)c(F)c1 ZINC000346070627 162310925 /nfs/dbraw/zinc/31/09/25/162310925.db2.gz OBIYEIHEBJFVOK-NSHDSACASA-N 0 1 297.333 2.647 20 30 CFEDMN C[C@@H](NCc1cccnc1)c1ccc(C#N)c(F)c1 ZINC000346105336 162319056 /nfs/dbraw/zinc/31/90/56/162319056.db2.gz QQIFDFUJSJJHDW-LLVKDONJSA-N 0 1 255.296 2.943 20 30 CFEDMN C[C@@H](N[C@@H](CO)CC(F)(F)F)c1ccc(C#N)c(F)c1 ZINC000346216478 162353891 /nfs/dbraw/zinc/35/38/91/162353891.db2.gz SYUHHBFXXPJLTP-LDYMZIIASA-N 0 1 290.260 2.661 20 30 CFEDMN CC(=O)c1ccc(C#N)c(N[C@H]2CCCN(C)[C@H]2C)c1 ZINC000347874418 162793539 /nfs/dbraw/zinc/79/35/39/162793539.db2.gz JBXODNSDBVCXAC-NHYWBVRUSA-N 0 1 271.364 2.655 20 30 CFEDMN COc1ccc(C)cc1CCNCc1nc(C#N)cs1 ZINC000352825430 163244036 /nfs/dbraw/zinc/24/40/36/163244036.db2.gz SORUEAXFYHAJAG-UHFFFAOYSA-N 0 1 287.388 2.664 20 30 CFEDMN CCC1(CC)[C@H](NCc2nc(C#N)cs2)[C@@H](C)[C@@H]1OC ZINC000352833839 163247591 /nfs/dbraw/zinc/24/75/91/163247591.db2.gz IDRJRIWSLICRIY-HONMWMINSA-N 0 1 293.436 2.944 20 30 CFEDMN N#Cc1csc(CNC[C@@H]2CCN(c3ccccc3)C2)n1 ZINC000352857072 163253127 /nfs/dbraw/zinc/25/31/27/163253127.db2.gz XPWOBFIJPZKUEY-ZDUSSCGKSA-N 0 1 298.415 2.631 20 30 CFEDMN Cc1cnc([C@@H](C)CNCc2nc(C#N)cs2)s1 ZINC000352906371 163266785 /nfs/dbraw/zinc/26/67/85/163266785.db2.gz VLXVCZISGFFBNQ-QMMMGPOBSA-N 0 1 278.406 2.673 20 30 CFEDMN COc1cc(CN[C@@H]2CCc3ccc(C#N)cc32)ccn1 ZINC000353253246 163328148 /nfs/dbraw/zinc/32/81/48/163328148.db2.gz KXRZWRRUEPIJJB-MRXNPFEDSA-N 0 1 279.343 2.739 20 30 CFEDMN C=CCCn1cc(CN2CC(C)(C)[C@@H]3CCC[C@@H]32)nn1 ZINC000653705781 413457135 /nfs/dbraw/zinc/45/71/35/413457135.db2.gz ISONMCHTDWMWAO-CABCVRRESA-N 0 1 274.412 2.865 20 30 CFEDMN COc1ccc(/C=C/C(=O)c2ccc(O)cc2O)cc1O ZINC000005733641 170135412 /nfs/dbraw/zinc/13/54/12/170135412.db2.gz WGVFVBIJKULVHA-QHHAFSJGSA-N 0 1 286.283 2.708 20 30 CFEDMN C#CCOc1ccc([C@H](C)NCc2cc(C)nn2C)cc1 ZINC000284310418 196027898 /nfs/dbraw/zinc/02/78/98/196027898.db2.gz LHLVEYVCWHNTOP-AWEZNQCLSA-N 0 1 283.375 2.591 20 30 CFEDMN N#Cc1ccc(F)c(CN2CCC[C@@H]2[C@H]2CCCO2)c1 ZINC000284831572 196139549 /nfs/dbraw/zinc/13/95/49/196139549.db2.gz QKLAGNHEILXBGD-HZPDHXFCSA-N 0 1 274.339 2.841 20 30 CFEDMN N#Cc1ccc(F)c(CN2CCC[C@H]2[C@@H]2CCCO2)c1 ZINC000284831567 196140275 /nfs/dbraw/zinc/14/02/75/196140275.db2.gz QKLAGNHEILXBGD-HOTGVXAUSA-N 0 1 274.339 2.841 20 30 CFEDMN C=CC[C@@H]1CCCC[C@H]1NC(=O)NCc1cc(C)[nH]n1 ZINC000660716738 413513455 /nfs/dbraw/zinc/51/34/55/413513455.db2.gz YDMZDXSTZDJVSM-TZMCWYRMSA-N 0 1 276.384 2.652 20 30 CFEDMN C=CCCn1cc(CNCCc2cc3ccccc3[nH]2)nn1 ZINC000657410789 413569988 /nfs/dbraw/zinc/56/99/88/413569988.db2.gz FYINKLRHGHCPCR-UHFFFAOYSA-N 0 1 295.390 2.668 20 30 CFEDMN C=C(C)COCCNCc1cc(F)c(OC)cc1OC ZINC000651734541 413601008 /nfs/dbraw/zinc/60/10/08/413601008.db2.gz MYGLZSLSMMOTRI-UHFFFAOYSA-N 0 1 283.343 2.525 20 30 CFEDMN C=CCOc1ccc(CNCc2cnc3n2CCC3)cc1 ZINC000657461760 413637591 /nfs/dbraw/zinc/63/75/91/413637591.db2.gz ZHUPSAJMHWZMJJ-UHFFFAOYSA-N 0 1 283.375 2.684 20 30 CFEDMN C=CC[C@H]1CC[C@@H](NCc2nn(C)cc2Cl)C1 ZINC000651822169 413664706 /nfs/dbraw/zinc/66/47/06/413664706.db2.gz NAJIKMWFGODSPP-WDEREUQCSA-N 0 1 253.777 2.908 20 30 CFEDMN C=CCC1(CNC(=O)[C@H]2CCCCN2C)CCCC1 ZINC000654083969 413685900 /nfs/dbraw/zinc/68/59/00/413685900.db2.gz VVVLWLFKIIIZOV-CQSZACIVSA-N 0 1 264.413 2.723 20 30 CFEDMN C=CCCn1cc(CN[C@@H]2C[C@H]2CC(C)(C)C)nn1 ZINC000657501473 413694018 /nfs/dbraw/zinc/69/40/18/413694018.db2.gz VOKYYVOLCAPYJW-GXTWGEPZSA-N 0 1 262.401 2.769 20 30 CFEDMN C#CCN(CCO[C@@H]1CCCCO1)Cc1ccccc1 ZINC000285529598 196317746 /nfs/dbraw/zinc/31/77/46/196317746.db2.gz FJHDZHUJWRYOSC-QGZVFWFLSA-N 0 1 273.376 2.665 20 30 CFEDMN C=CC[N@@H+](Cc1cccs1)CC1(C(=O)[O-])CC1 ZINC000652379493 413916438 /nfs/dbraw/zinc/91/64/38/413916438.db2.gz PEGCKCYCALIMIL-UHFFFAOYSA-N 0 1 251.351 2.601 20 30 CFEDMN C=CC[C@@H]1CCCN([C@@H](C)c2nc(COC)no2)C1 ZINC000661383509 413940663 /nfs/dbraw/zinc/94/06/63/413940663.db2.gz DLGAVIYKINOJKC-NWDGAFQWSA-N 0 1 265.357 2.565 20 30 CFEDMN C=CC[C@H]1CCCN(Cc2nc(CC)cc(=O)[nH]2)C1 ZINC000661381479 413943377 /nfs/dbraw/zinc/94/33/77/413943377.db2.gz LTOSWBDUCSBKSO-LBPRGKRZSA-N 0 1 261.369 2.533 20 30 CFEDMN C=CC[C@H]1CCC[N@@H+](Cc2nc(CC)cc(=O)[n-]2)C1 ZINC000661381479 413943384 /nfs/dbraw/zinc/94/33/84/413943384.db2.gz LTOSWBDUCSBKSO-LBPRGKRZSA-N 0 1 261.369 2.533 20 30 CFEDMN C=CC[C@H]1CCC[N@H+](Cc2nc(CC)cc(=O)[n-]2)C1 ZINC000661381479 413943386 /nfs/dbraw/zinc/94/33/86/413943386.db2.gz LTOSWBDUCSBKSO-LBPRGKRZSA-N 0 1 261.369 2.533 20 30 CFEDMN C=CC[C@H]1CCCN(Cc2cc(=O)n3ccsc3n2)C1 ZINC000661381300 413944275 /nfs/dbraw/zinc/94/42/75/413944275.db2.gz ZSSUYWZBKVCRJO-LBPRGKRZSA-N 0 1 289.404 2.544 20 30 CFEDMN C=CC[C@@H]1CCCN(Cc2nc3ccc(OC)nc3[nH]2)C1 ZINC000661381518 413945027 /nfs/dbraw/zinc/94/50/27/413945027.db2.gz MMVHCFVYKDVHKT-GFCCVEGCSA-N 0 1 286.379 2.755 20 30 CFEDMN CC1(C)Cc2cccc(C(=O)C(C#N)c3ccncn3)c2O1 ZINC000654987620 414052258 /nfs/dbraw/zinc/05/22/58/414052258.db2.gz GDRHNGFUJWOPRF-CYBMUJFWSA-N 0 1 293.326 2.680 20 30 CFEDMN C=CCN(Cc1nc2ccc(OC)nc2[nH]1)C(C)(C)C ZINC000661760701 414203233 /nfs/dbraw/zinc/20/32/33/414203233.db2.gz XATWGDBSFFWVST-UHFFFAOYSA-N 0 1 274.368 2.753 20 30 CFEDMN C=CCC1(NCc2nc(C(F)F)no2)CCCC1 ZINC000661851456 414257728 /nfs/dbraw/zinc/25/77/28/414257728.db2.gz VJDPRNBCJMSNBI-UHFFFAOYSA-N 0 1 257.284 2.986 20 30 CFEDMN C=CCOCCCN[C@@H](c1ncc[nH]1)c1ccccc1 ZINC000658206054 414281269 /nfs/dbraw/zinc/28/12/69/414281269.db2.gz LIJNNPICWXRSKH-OAHLLOKOSA-N 0 1 271.364 2.681 20 30 CFEDMN C=CC[C@H]1CCCC[C@@H]1NC(=O)NCCN1CC=CCC1 ZINC000665388512 414317961 /nfs/dbraw/zinc/31/79/61/414317961.db2.gz PSKWHSXURJITDN-HOTGVXAUSA-N 0 1 291.439 2.682 20 30 CFEDMN C[C@H]1CN(CC#Cc2cccc(Cl)c2)C[C@]1(C)CO ZINC000662141290 414426901 /nfs/dbraw/zinc/42/69/01/414426901.db2.gz FWIIKUHEDAVRJV-XJKSGUPXSA-N 0 1 277.795 2.642 20 30 CFEDMN C=C[C@H](CO)NCc1cc(Cl)ccc1OCC1CC1 ZINC000662168459 414439825 /nfs/dbraw/zinc/43/98/25/414439825.db2.gz HFYHOZLGXQSFOY-CQSZACIVSA-N 0 1 281.783 2.765 20 30 CFEDMN C=C1C[C@H]2CC[C@@H](C1)N2CC(=O)Nc1ccccc1OC ZINC000662085891 414401218 /nfs/dbraw/zinc/40/12/18/414401218.db2.gz LWLWERFFTPDSDQ-OKILXGFUSA-N 0 1 286.375 2.817 20 30 CFEDMN C=CC[C@H]1CCCN([C@@H]2CC(=O)N(c3ccccc3)C2=O)C1 ZINC000656478417 414589863 /nfs/dbraw/zinc/58/98/63/414589863.db2.gz OBBBSYZNCSQVLA-GOEBONIOSA-N 0 1 298.386 2.607 20 30 CFEDMN C=CC[C@H]1CCCN(C(=O)[C@@H](N)c2ccc(C)cc2)C1 ZINC000662857084 414621577 /nfs/dbraw/zinc/62/15/77/414621577.db2.gz CXIKVIDAUVTGSN-HOCLYGCPSA-N 0 1 272.392 2.810 20 30 CFEDMN Cc1nccc(CN[C@@H](C)c2ccc(C#N)cc2)n1 ZINC000038037368 174037559 /nfs/dbraw/zinc/03/75/59/174037559.db2.gz ZQXSELVKFXNRBS-NSHDSACASA-N 0 1 252.321 2.508 20 30 CFEDMN C=CCC(C)(C)c1noc([C@@H]2CCCc3nn[nH]c32)n1 ZINC000663162468 414657345 /nfs/dbraw/zinc/65/73/45/414657345.db2.gz WBKHGCHKJMDLDR-SECBINFHSA-N 0 1 273.340 2.510 20 30 CFEDMN C#CCN(CCCn1ccnc1)Cc1ccccc1OCC ZINC000071114538 176034425 /nfs/dbraw/zinc/03/44/25/176034425.db2.gz BLKBUMRXPCNEMM-UHFFFAOYSA-N 0 1 297.402 2.807 20 30 CFEDMN CCn1c(C(O)=C(C#N)c2ccncn2)cc2ccccc21 ZINC000354472677 227008441 /nfs/dbraw/zinc/00/84/41/227008441.db2.gz PHCRZFPCQGGSAA-ZDUSSCGKSA-N 0 1 290.326 2.941 20 30 CFEDMN Cc1cc2cc[nH]c2cc1NC(=O)[C@@H]1CCc2[nH]nnc2C1 ZINC000329042753 227269861 /nfs/dbraw/zinc/26/98/61/227269861.db2.gz OSJNOBZWVOCOGS-LLVKDONJSA-N 0 1 295.346 2.988 20 30 CFEDMN Cc1cc2cc[nH]c2cc1NC(=O)[C@@H]1CCc2nn[nH]c2C1 ZINC000329042753 227269866 /nfs/dbraw/zinc/26/98/66/227269866.db2.gz OSJNOBZWVOCOGS-LLVKDONJSA-N 0 1 295.346 2.988 20 30 CFEDMN Cc1nc(CCNC(=O)[C@@H]2CCCc3[nH]ncc32)c(C)o1 ZINC000329049609 227273971 /nfs/dbraw/zinc/27/39/71/227273971.db2.gz WBBCJBMVTYZOED-LLVKDONJSA-N 0 1 288.351 2.634 20 30 CFEDMN Cc1n[nH]c(CCNC(=O)[C@]2(C)CCCc3ccccc32)n1 ZINC000329077079 227284437 /nfs/dbraw/zinc/28/44/37/227284437.db2.gz BCBXNFKQGJVZCT-QGZVFWFLSA-N 0 1 298.390 2.906 20 30 CFEDMN C[C@H](F)CCN1CCN([C@H](C#N)c2ccccc2)CC1 ZINC000351889250 228002064 /nfs/dbraw/zinc/00/20/64/228002064.db2.gz LFJQHWFSGYHHME-GOEBONIOSA-N 0 1 275.371 2.617 20 30 CFEDMN Cc1nc(CC2CC2)oc1C(=O)NCCN1CCCCC1 ZINC000330002232 228013602 /nfs/dbraw/zinc/01/36/02/228013602.db2.gz AXRAJNHICUMNSP-UHFFFAOYSA-N 0 1 291.395 2.726 20 30 CFEDMN O=C(C[C@@H]1CCOC1)NCc1nc2ccc(F)cc2[nH]1 ZINC000330058385 228028546 /nfs/dbraw/zinc/02/85/46/228028546.db2.gz YVZURSPHHJCJOT-VIFPVBQESA-N 0 1 277.299 2.585 20 30 CFEDMN O=C(Nc1ccc2nc[nH]c2c1)[C@H]1CCCOCC1 ZINC000330272921 228088238 /nfs/dbraw/zinc/08/82/38/228088238.db2.gz YJRNMNFQTRXTKW-JTQLQIEISA-N 0 1 259.309 2.968 20 30 CFEDMN Cc1ncc(C(=O)N2CCC[C@H]2[C@@H](C#N)c2ccccc2)[nH]1 ZINC000336131149 228193534 /nfs/dbraw/zinc/19/35/34/228193534.db2.gz GSEXHXUDBHEKEJ-HOCLYGCPSA-N 0 1 294.358 2.630 20 30 CFEDMN C=CCN(CCc1ccco1)[C@H](C)c1n[nH]c(CC)n1 ZINC000660226479 420502080 /nfs/dbraw/zinc/50/20/80/420502080.db2.gz XJCLLYDLUAEZMP-GFCCVEGCSA-N 0 1 274.368 2.752 20 30 CFEDMN N#Cc1cc2c(nc1-c1ccc(O)c(F)c1)CCC2 ZINC001240783931 782030898 /nfs/dbraw/zinc/03/08/98/782030898.db2.gz ZWCILSCYNHAGLV-UHFFFAOYSA-N 0 1 254.264 2.954 20 30 CFEDMN CC[C@]1(CO)CCCN(CC#Cc2ccc(F)cc2)C1 ZINC000187537550 260039651 /nfs/dbraw/zinc/03/96/51/260039651.db2.gz ZTRVNMAANWQYDY-KRWDZBQOSA-N 0 1 275.367 2.662 20 30 CFEDMN C=CCC1(CNC(=O)[C@@H](C)Cc2cnc[nH]2)CCCC1 ZINC000517755986 260187488 /nfs/dbraw/zinc/18/74/88/260187488.db2.gz CBZNRMMQBVHEGB-ZDUSSCGKSA-N 0 1 275.396 2.841 20 30 CFEDMN C=CC[N@H+](CCOc1cccc(C(=O)OC)c1)C1CC1 ZINC000357529174 260228521 /nfs/dbraw/zinc/22/85/21/260228521.db2.gz LVCPHVWNBVOKCA-UHFFFAOYSA-N 0 1 275.348 2.502 20 30 CFEDMN C=C(Cl)CN[C@@H](C)c1ccc(OCC#N)cc1 ZINC000164632361 261356267 /nfs/dbraw/zinc/35/62/67/261356267.db2.gz JBJWVIWIFDWHRI-NSHDSACASA-N 0 1 250.729 2.992 20 30 CFEDMN C[C@@H](C[S@@](C)=O)[N@@H+](C)Cc1ccccc1C(C)(C)C#N ZINC000184573105 262023800 /nfs/dbraw/zinc/02/38/00/262023800.db2.gz BXMBMBLIBZRWBX-RNODOKPDSA-N 0 1 292.448 2.687 20 30 CFEDMN C[C@@H](C[S@@](C)=O)N(C)Cc1ccccc1C(C)(C)C#N ZINC000184573105 262023802 /nfs/dbraw/zinc/02/38/02/262023802.db2.gz BXMBMBLIBZRWBX-RNODOKPDSA-N 0 1 292.448 2.687 20 30 CFEDMN Cn1cc([C@H](NCCCC#N)c2ccc(F)cc2)cn1 ZINC000185439567 262054419 /nfs/dbraw/zinc/05/44/19/262054419.db2.gz GKOBBLOSSFQDKV-OAHLLOKOSA-N 0 1 272.327 2.542 20 30 CFEDMN C#CCC(C)(C)C(=O)NCc1ccc(F)c(CN(C)C)c1 ZINC000185577058 262060070 /nfs/dbraw/zinc/06/00/70/262060070.db2.gz NYZYZAJPKZSCHH-UHFFFAOYSA-N 0 1 290.382 2.553 20 30 CFEDMN C=CC[C@@H](CO)N[C@H](C)c1csc(C(C)C)n1 ZINC000186503598 262095441 /nfs/dbraw/zinc/09/54/41/262095441.db2.gz PTISZDFILCEPPE-MNOVXSKESA-N 0 1 254.399 2.854 20 30 CFEDMN C=CCNC(=O)[C@@H](C)N1CCC(c2ccc(F)cc2)CC1 ZINC000364410257 262233797 /nfs/dbraw/zinc/23/37/97/262233797.db2.gz UMQWESOUSWCQAX-CYBMUJFWSA-N 0 1 290.382 2.696 20 30 CFEDMN C=CC[C@@H](CO)NCc1ccc(F)cc1Br ZINC000184267621 262275634 /nfs/dbraw/zinc/27/56/34/262275634.db2.gz NVERXSOKNIKTHE-NSHDSACASA-N 0 1 288.160 2.615 20 30 CFEDMN C=CC[C@H](CO)NCc1ccc(F)cc1Br ZINC000184267639 262275674 /nfs/dbraw/zinc/27/56/74/262275674.db2.gz NVERXSOKNIKTHE-LLVKDONJSA-N 0 1 288.160 2.615 20 30 CFEDMN C(#Cc1ccccc1)CN1CCC[C@@H](n2cccn2)C1 ZINC000365245882 262354505 /nfs/dbraw/zinc/35/45/05/262354505.db2.gz XRDZZEPJHQBXAA-QGZVFWFLSA-N 0 1 265.360 2.572 20 30 CFEDMN C=C(C)CN(Cc1ccccc1)C[C@H]1CN(C)C(=O)O1 ZINC000497056495 262363896 /nfs/dbraw/zinc/36/38/96/262363896.db2.gz RYHRYEAHRWBZIA-OAHLLOKOSA-N 0 1 274.364 2.515 20 30 CFEDMN C[C@H]1CC[S@](=O)CCN1CCCCC(C)(C)C#N ZINC000365600365 262373078 /nfs/dbraw/zinc/37/30/78/262373078.db2.gz OVVLUAQMIFLYEW-UGSOOPFHSA-N 0 1 270.442 2.549 20 30 CFEDMN N#CCCCCN1CCOC[C@@H]1C[C@H](O)c1ccccc1 ZINC000268701519 262956492 /nfs/dbraw/zinc/95/64/92/262956492.db2.gz RJFJXXJEVRDILI-IRXDYDNUSA-N 0 1 288.391 2.505 20 30 CFEDMN CCC(N)=NOCc1ccc(C#N)cc1Br ZINC000272241778 263003042 /nfs/dbraw/zinc/00/30/42/263003042.db2.gz RDEOICLDGYYWCY-UHFFFAOYSA-N 0 1 282.141 2.520 20 30 CFEDMN CC1(C#N)CCN(CCOc2ccc([N+](=O)[O-])cc2)CC1 ZINC000272529163 263005924 /nfs/dbraw/zinc/00/59/24/263005924.db2.gz IEJTYWJTKCLUDT-UHFFFAOYSA-N 0 1 289.335 2.599 20 30 CFEDMN CCc1nn(C)c(CC)c1CN1CCC(C)(C#N)CC1 ZINC000272584336 263007319 /nfs/dbraw/zinc/00/73/19/263007319.db2.gz YRDTWXZNIGYCRW-UHFFFAOYSA-N 0 1 274.412 2.671 20 30 CFEDMN CN(C)Cc1ccsc1C(=O)N1CCC(C)(C#N)CC1 ZINC000272890714 263009439 /nfs/dbraw/zinc/00/94/39/263009439.db2.gz ATSDUCLOMAQNJB-UHFFFAOYSA-N 0 1 291.420 2.576 20 30 CFEDMN C=C[C@](C)(CCOC)c1nc([C@@H](N)CC(C)C)no1 ZINC000414613281 263009464 /nfs/dbraw/zinc/00/94/64/263009464.db2.gz FXFILANCFOFRRD-SMDDNHRTSA-N 0 1 267.373 2.596 20 30 CFEDMN C=C(C)[C@H]1OCC[C@H]1c1nc([C@@H](N)CC(C)C)no1 ZINC000414620138 263013581 /nfs/dbraw/zinc/01/35/81/263013581.db2.gz PPMNGZYXZKHLFT-GRYCIOLGSA-N 0 1 265.357 2.564 20 30 CFEDMN Cc1ccn2cc(CN[C@H]3CCC[C@H](C#N)C3)nc2c1 ZINC000274176108 263021619 /nfs/dbraw/zinc/02/16/19/263021619.db2.gz DAMXSXCBVFBIDQ-KBPBESRZSA-N 0 1 268.364 2.815 20 30 CFEDMN Cc1ccn2cc(CN[C@@H]3CCC[C@@H](C#N)C3)nc2c1 ZINC000274176119 263021625 /nfs/dbraw/zinc/02/16/25/263021625.db2.gz DAMXSXCBVFBIDQ-ZIAGYGMSSA-N 0 1 268.364 2.815 20 30 CFEDMN C=CCOc1ccc(C[N@@H+]2CCCC[C@@H]2C(=O)[O-])cc1 ZINC000414685502 263032055 /nfs/dbraw/zinc/03/20/55/263032055.db2.gz SZKGBRZMOOSOKH-OAHLLOKOSA-N 0 1 275.348 2.691 20 30 CFEDMN CN(Cc1cc(Br)cn1C)[C@H]1CC[C@@H](C#N)C1 ZINC000278752980 263050741 /nfs/dbraw/zinc/05/07/41/263050741.db2.gz XEPXBCQJWCGYOY-PWSUYJOCSA-N 0 1 296.212 2.912 20 30 CFEDMN N#CC1(C(=O)Nc2ccc(F)c(-c3nc[nH]n3)c2)CCCC1 ZINC000279167408 263053461 /nfs/dbraw/zinc/05/34/61/263053461.db2.gz GQGFSKOVCWPGJT-UHFFFAOYSA-N 0 1 299.309 2.633 20 30 CFEDMN Cn1nccc1[C@H]1CCCCN1CCC(C)(C)C#N ZINC000281466550 263069343 /nfs/dbraw/zinc/06/93/43/263069343.db2.gz RMUONDZKQRQBRP-CQSZACIVSA-N 0 1 260.385 2.887 20 30 CFEDMN N#CCSCCCN1CCCC[C@@H]1c1cc[nH]n1 ZINC000285443430 263092951 /nfs/dbraw/zinc/09/29/51/263092951.db2.gz RYPXESZTWJVYKT-CYBMUJFWSA-N 0 1 264.398 2.584 20 30 CFEDMN C[C@H](NCCCSCC#N)c1c(F)cncc1F ZINC000285594505 263094391 /nfs/dbraw/zinc/09/43/91/263094391.db2.gz IYDMZSURXLUYLN-VIFPVBQESA-N 0 1 271.336 2.657 20 30 CFEDMN CC(C)(C#N)C(=O)Nc1cc(Cl)c(O)cc1F ZINC000286954753 263100428 /nfs/dbraw/zinc/10/04/28/263100428.db2.gz QDVDPICCPDSCFA-UHFFFAOYSA-N 0 1 256.664 2.673 20 30 CFEDMN CC(C)C(N)=NOCc1ccc(Br)cc1C#N ZINC000288166538 263103740 /nfs/dbraw/zinc/10/37/40/263103740.db2.gz AAUOJWUOFQGWAE-UHFFFAOYSA-N 0 1 296.168 2.766 20 30 CFEDMN CCN1CCN(C(=O)c2ccc(C(C)(C)C#N)cc2)[C@H](C)C1 ZINC000288463533 263104608 /nfs/dbraw/zinc/10/46/08/263104608.db2.gz OJSGENFPDKGXNX-CQSZACIVSA-N 0 1 299.418 2.654 20 30 CFEDMN CCC(N)=NOC[C@H](OC(C)C)c1ccccc1 ZINC000292126855 263128673 /nfs/dbraw/zinc/12/86/73/263128673.db2.gz RYCUWPQPZIQNKC-ZDUSSCGKSA-N 0 1 250.342 2.852 20 30 CFEDMN COC(=O)c1ccc2c(c1)CN([C@@H]1CC[C@@H](C#N)C1)CC2 ZINC000292716203 263134131 /nfs/dbraw/zinc/13/41/31/263134131.db2.gz AFFVXCGFLVSVSS-MLGOLLRUSA-N 0 1 284.359 2.524 20 30 CFEDMN C=CCN(CCC#N)Cc1cnc(-c2ccccc2)[nH]1 ZINC000292850997 263135794 /nfs/dbraw/zinc/13/57/94/263135794.db2.gz UDBHKXHQEFGCNI-UHFFFAOYSA-N 0 1 266.348 2.978 20 30 CFEDMN CN(Cc1ccc([S@](C)=O)cc1)[C@@H]1CC[C@@H](C#N)C1 ZINC000292888960 263136234 /nfs/dbraw/zinc/13/62/34/263136234.db2.gz UYNAZAUSQQPTQD-LPMFXHHGSA-N 0 1 276.405 2.548 20 30 CFEDMN C[C@@H](C#N)CN(C)Cc1cc(Cl)c(F)cc1O ZINC000295495439 263178251 /nfs/dbraw/zinc/17/82/51/263178251.db2.gz XZPIKNSEQZCFAL-QMMMGPOBSA-N 0 1 256.708 2.776 20 30 CFEDMN CN(C)Cc1ccsc1C(=O)N[C@H]1CC[C@@H](CC#N)C1 ZINC000296785423 263196558 /nfs/dbraw/zinc/19/65/58/263196558.db2.gz DUEOVMGUUKWLSV-AAEUAGOBSA-N 0 1 291.420 2.622 20 30 CFEDMN Cc1ccc(N2CCN([C@@H](C)CCC#N)CC2)cc1 ZINC000298995705 263228607 /nfs/dbraw/zinc/22/86/07/263228607.db2.gz QBYMZQBLTIQLLE-HNNXBMFYSA-N 0 1 257.381 2.809 20 30 CFEDMN C[C@@H](CCC#N)N[C@H](c1cnn(C)c1)c1ccc(F)cc1 ZINC000299266857 263236733 /nfs/dbraw/zinc/23/67/33/263236733.db2.gz KPLAJSWRBGFAJU-LRDDRELGSA-N 0 1 286.354 2.930 20 30 CFEDMN C[C@H](CCC#N)N[C@H](c1cnn(C)c1)c1ccc(F)cc1 ZINC000299266859 263236772 /nfs/dbraw/zinc/23/67/72/263236772.db2.gz KPLAJSWRBGFAJU-WBMJQRKESA-N 0 1 286.354 2.930 20 30 CFEDMN C=C(C)CN(CC)[C@H](C)C(=O)Nc1ccccc1[N+](=O)[O-] ZINC000120112289 263280980 /nfs/dbraw/zinc/28/09/80/263280980.db2.gz RLBZTVZIDRRFMO-GFCCVEGCSA-N 0 1 291.351 2.820 20 30 CFEDMN CC[C@@H]1CCCC[C@H]1[N@@H+](C)CC(=O)N[C@@](C)(C#N)C1CC1 ZINC000120862410 263286947 /nfs/dbraw/zinc/28/69/47/263286947.db2.gz OMIIROBDVBSXQK-UNEWFSDZSA-N 0 1 291.439 2.695 20 30 CFEDMN C=CCCC[N@H+](C)CC(=O)N1CCc2sccc2C1 ZINC000121062196 263290130 /nfs/dbraw/zinc/29/01/30/263290130.db2.gz BGBXJXYYZRRONK-UHFFFAOYSA-N 0 1 278.421 2.531 20 30 CFEDMN C=CCCC[N@H+](C)[C@@H](C)C(=O)N(C)Cc1ccccc1 ZINC000121099724 263290191 /nfs/dbraw/zinc/29/01/91/263290191.db2.gz JOBFWMQAQWZTEB-HNNXBMFYSA-N 0 1 274.408 2.932 20 30 CFEDMN C=CCN(C)[C@H](C)C(=O)N(C)Cc1c(F)cccc1Cl ZINC000121493560 263294808 /nfs/dbraw/zinc/29/48/08/263294808.db2.gz ZTLOSLBJSZCJKD-LLVKDONJSA-N 0 1 298.789 2.944 20 30 CFEDMN CC#CCN(C)C(=O)c1cn[nH]c1-c1ccc(Cl)s1 ZINC000341011816 263316279 /nfs/dbraw/zinc/31/62/79/263316279.db2.gz BCPUEWFKKUJPSK-UHFFFAOYSA-N 0 1 293.779 2.887 20 30 CFEDMN COCC1(C#N)CCN(CCO[C@@H]2CCCC[C@H]2C)CC1 ZINC000341978600 263370051 /nfs/dbraw/zinc/37/00/51/263370051.db2.gz AOLSIWHFAYMGMU-HZPDHXFCSA-N 0 1 294.439 2.834 20 30 CFEDMN Cc1nc2cccc(C(=O)NC[C@](C)(O)C(C)C)c2[nH]1 ZINC000330419824 263934725 /nfs/dbraw/zinc/93/47/25/263934725.db2.gz COEDURCNJXQOFN-HNNXBMFYSA-N 0 1 275.352 2.583 20 30 CFEDMN Cc1ccc(C(=O)N[C@@H]2CC[N@@H+](C)[C@@H](C)C2)cc1[N+](=O)[O-] ZINC000330914872 264092383 /nfs/dbraw/zinc/09/23/83/264092383.db2.gz SXTZBGWZPFWVCD-WCQYABFASA-N 0 1 291.351 2.691 20 30 CFEDMN C=CC(C)(C)C(=O)N[C@H](C)c1n[nH]c([C@H](C)CC)n1 ZINC000331318152 264188610 /nfs/dbraw/zinc/18/86/10/264188610.db2.gz JVFHKJCLSOJOTP-NXEZZACHSA-N 0 1 264.373 2.708 20 30 CFEDMN C=CC(C)(C)C(=O)N[C@@H](C)c1n[nH]c([C@@H](C)CC)n1 ZINC000331318153 264189257 /nfs/dbraw/zinc/18/92/57/264189257.db2.gz JVFHKJCLSOJOTP-UWVGGRQHSA-N 0 1 264.373 2.708 20 30 CFEDMN C=CC[C@@H](CC)NC(=O)N1CCC[C@@H](c2cc(C)[nH]n2)C1 ZINC000333976003 264226533 /nfs/dbraw/zinc/22/65/33/264226533.db2.gz IGQDAUSOOPYNLK-ZIAGYGMSSA-N 0 1 290.411 2.962 20 30 CFEDMN C=CCC(C)(C)C(=O)N1CCN([C@H](C)CC)CC1 ZINC000456530898 264242867 /nfs/dbraw/zinc/24/28/67/264242867.db2.gz ZFCAJMABGRVIOP-CYBMUJFWSA-N 0 1 252.402 2.531 20 30 CFEDMN C=CC[C@H](C)NC(=O)NCCN(CC)CCC(F)(F)F ZINC000425999931 264304378 /nfs/dbraw/zinc/30/43/78/264304378.db2.gz QQWOZJYZHMBVGX-NSHDSACASA-N 0 1 295.349 2.525 20 30 CFEDMN C=CCCCN(C)Cc1nc(N)c2ccccc2n1 ZINC000076736658 264343175 /nfs/dbraw/zinc/34/31/75/264343175.db2.gz YAYICESDVKGBEN-UHFFFAOYSA-N 0 1 256.353 2.610 20 30 CFEDMN CCOCCOCCN(C)CC#Cc1cccc(Cl)c1 ZINC000190258456 264395874 /nfs/dbraw/zinc/39/58/74/264395874.db2.gz ASGJSLPXTPOWEB-UHFFFAOYSA-N 0 1 295.810 2.676 20 30 CFEDMN CC[C@H](C(=O)N[C@@H]1CC[C@H](C#N)C1)N(C)Cc1ccccc1 ZINC000424966999 264402005 /nfs/dbraw/zinc/40/20/05/264402005.db2.gz OXSNWCIWZGYWGX-GVDBMIGSSA-N 0 1 299.418 2.705 20 30 CFEDMN C#CCSCCNCc1ccc([N+](=O)[O-])cc1Cl ZINC000183805994 264624263 /nfs/dbraw/zinc/62/42/63/264624263.db2.gz ZKTTVNCPHSSJEC-UHFFFAOYSA-N 0 1 284.768 2.704 20 30 CFEDMN C[C@H](C#N)C(=O)Nc1ccc2nc(-c3ccccn3)[nH]c2c1 ZINC000349098197 265168498 /nfs/dbraw/zinc/16/84/98/265168498.db2.gz MTFMRBYCULWUEM-SNVBAGLBSA-N 0 1 291.314 2.723 20 30 CFEDMN C=CC[C@@H](C)N[C@H](C)c1ncc(C(=O)OC)s1 ZINC000314645047 265174183 /nfs/dbraw/zinc/17/41/83/265174183.db2.gz ALJAGRWFGVHTNU-RKDXNWHRSA-N 0 1 254.355 2.545 20 30 CFEDMN CC[C@H](C(=O)NCC1(CC#N)CC1)N(C)Cc1ccccc1 ZINC000356379535 266105305 /nfs/dbraw/zinc/10/53/05/266105305.db2.gz UIJXBBZKAJHFJT-MRXNPFEDSA-N 0 1 299.418 2.707 20 30 CFEDMN C=CCCC1(C(=O)N[C@H]2CCCc3cn[nH]c32)CC1 ZINC000356458567 266118272 /nfs/dbraw/zinc/11/82/72/266118272.db2.gz LMUUGMGKUPWTCK-LBPRGKRZSA-N 0 1 259.353 2.650 20 30 CFEDMN C[C@@H]1[C@H](C)N(C(=O)C[C@@H](CC#N)c2ccccc2)CCN1C ZINC000356650047 266154229 /nfs/dbraw/zinc/15/42/29/266154229.db2.gz HLKJQLICOOOQBW-HLLBOEOZSA-N 0 1 299.418 2.625 20 30 CFEDMN CC(C)c1nnc(-c2ccccc2NC(=O)[C@H](C)C#N)[nH]1 ZINC000357807897 266369140 /nfs/dbraw/zinc/36/91/40/266369140.db2.gz MOBBXWRFSDOMLS-SNVBAGLBSA-N 0 1 283.335 2.693 20 30 CFEDMN CCn1cc(CN[C@@H]2CCc3ccc(C#N)cc32)cn1 ZINC000353276598 266467060 /nfs/dbraw/zinc/46/70/60/266467060.db2.gz MGTDQNJHMFYOFW-MRXNPFEDSA-N 0 1 266.348 2.552 20 30 CFEDMN C=C[C@@H](C)NC(=O)c1ccc(CN2CCSCC2)cc1 ZINC000362586157 267012066 /nfs/dbraw/zinc/01/20/66/267012066.db2.gz GIRYAQQKYFMQIX-CYBMUJFWSA-N 0 1 290.432 2.540 20 30 CFEDMN C=C[C@@H](C)NC(=O)c1ccc(Nc2ccncc2)cc1 ZINC000362616064 267023896 /nfs/dbraw/zinc/02/38/96/267023896.db2.gz UWYKEXPFHVTZEQ-GFCCVEGCSA-N 0 1 267.332 2.551 20 30 CFEDMN CC(C)NC(=O)CCN1CCC[C@@H]1[C@H](C#N)c1ccccc1 ZINC000363174312 267078768 /nfs/dbraw/zinc/07/87/68/267078768.db2.gz VRECERRCBDUNSQ-IAGOWNOFSA-N 0 1 299.418 2.673 20 30 CFEDMN C=CCOc1ccc(CN2CCOCC[C@H]2C)cc1OC ZINC000367712070 267112389 /nfs/dbraw/zinc/11/23/89/267112389.db2.gz ZBCQAEZZQBVWCY-CQSZACIVSA-N 0 1 291.391 2.871 20 30 CFEDMN CC(C)(C#N)CCCCN1CCC[C@](F)(CO)C1 ZINC000367864753 267122606 /nfs/dbraw/zinc/12/26/06/267122606.db2.gz LNVDQEYYSILRIE-CQSZACIVSA-N 0 1 256.365 2.503 20 30 CFEDMN C=CCN(CC)CC(=O)N1CCc2[nH]c3ccccc3c2C1 ZINC000368799009 267206028 /nfs/dbraw/zinc/20/60/28/267206028.db2.gz VCDQDAFMTPXIBU-UHFFFAOYSA-N 0 1 297.402 2.561 20 30 CFEDMN C=C(Cl)CN1CCC[C@H](C(=O)N2CCCCCC2)C1 ZINC000368993665 267216303 /nfs/dbraw/zinc/21/63/03/267216303.db2.gz UTKIJIPJNYJLQU-AWEZNQCLSA-N 0 1 284.831 2.854 20 30 CFEDMN C=C(Cl)CN1CCC[C@@H](C(=O)N2CCCCCC2)C1 ZINC000368993666 267216655 /nfs/dbraw/zinc/21/66/55/267216655.db2.gz UTKIJIPJNYJLQU-CQSZACIVSA-N 0 1 284.831 2.854 20 30 CFEDMN C=CCN(C(=O)[C@H]1CCc2[nH]c(C(C)C)nc2C1)C1CC1 ZINC000369639246 267256893 /nfs/dbraw/zinc/25/68/93/267256893.db2.gz MCWJHWCIWWWLLY-LBPRGKRZSA-N 0 1 287.407 2.815 20 30 CFEDMN CC(C)[C@](C)(C#N)NC(=O)CN1C[C@@H]2CCCCCC[C@@H]21 ZINC000370545434 267328008 /nfs/dbraw/zinc/32/80/08/267328008.db2.gz FCMVJOUZPGCQJY-ZOBUZTSGSA-N 0 1 291.439 2.695 20 30 CFEDMN N#CC1(NC(=O)CN2C[C@@H]3CCCCC[C@@H]32)CCCCC1 ZINC000371134739 267353280 /nfs/dbraw/zinc/35/32/80/267353280.db2.gz UYOUQTDHMNXKHN-GJZGRUSLSA-N 0 1 289.423 2.594 20 30 CFEDMN N#Cc1cccc(CC(=O)Nc2ccc3nc[nH]c3c2)c1 ZINC000531148157 268277722 /nfs/dbraw/zinc/27/77/22/268277722.db2.gz UAOFDEOHPHJCRY-UHFFFAOYSA-N 0 1 276.299 2.616 20 30 CFEDMN N#Cc1cccc([N+](=O)[O-])c1CN1CC[C@@H](C2CC2)C1 ZINC000459366046 268291270 /nfs/dbraw/zinc/29/12/70/268291270.db2.gz CRQJBBILVDJGCK-CYBMUJFWSA-N 0 1 271.320 2.698 20 30 CFEDMN Cc1c(CN(C)Cc2ccc(C#N)c(C)c2)cnn1C ZINC000515981014 270376369 /nfs/dbraw/zinc/37/63/69/270376369.db2.gz GBKQNCHEQUTSPL-UHFFFAOYSA-N 0 1 268.364 2.541 20 30 CFEDMN CCN1CCN(c2ccc(C(F)(F)F)cc2C#N)CC1 ZINC000036926926 273666298 /nfs/dbraw/zinc/66/62/98/273666298.db2.gz MKVBWQXKDAXGLS-UHFFFAOYSA-N 0 1 283.297 2.719 20 30 CFEDMN OC[C@@H]1CCCCN1CC#Cc1ccc(C(F)(F)F)cc1 ZINC000267404737 275048678 /nfs/dbraw/zinc/04/86/78/275048678.db2.gz QKQXPPIAJCYQMO-HNNXBMFYSA-N 0 1 297.320 2.904 20 30 CFEDMN C=C[C@H](CO)N[C@H]1CC2(CCC2)Oc2ccccc21 ZINC000353565838 275752317 /nfs/dbraw/zinc/75/23/17/275752317.db2.gz KTJPEHGBFCUQOF-OCCSQVGLSA-N 0 1 259.349 2.569 20 30 CFEDMN CN1Cc2ccccc2[C@@H](Nc2cnccc2C#N)C1 ZINC000378371778 277210974 /nfs/dbraw/zinc/21/09/74/277210974.db2.gz SCVWPQOAUWIOGH-INIZCTEOSA-N 0 1 264.332 2.552 20 30 CFEDMN CO[C@H]1CCCC[C@H]1NCc1cccc(F)c1C#N ZINC000428427192 277737861 /nfs/dbraw/zinc/73/78/61/277737861.db2.gz QLYHXIFTKMODPM-CABCVRRESA-N 0 1 262.328 2.745 20 30 CFEDMN C[C@H](N[C@H](CO)CC(F)(F)F)c1ccc(C#N)cc1 ZINC000344279328 278279289 /nfs/dbraw/zinc/27/92/89/278279289.db2.gz FAPWPUGQYOLMEL-CABZTGNLSA-N 0 1 272.270 2.522 20 30 CFEDMN CC[C@@H]1CCCN([C@H](C(N)=O)c2ccc(C#N)cc2)CC1 ZINC000117343934 280279251 /nfs/dbraw/zinc/27/92/51/280279251.db2.gz HWUUCDDMKFWGJO-CJNGLKHVSA-N 0 1 285.391 2.597 20 30 CFEDMN N#Cc1c(F)cccc1N1CCN([C@H]2C=CCCC2)CC1 ZINC000066494227 280469441 /nfs/dbraw/zinc/46/94/41/280469441.db2.gz JZIHZOZUDIMPIX-AWEZNQCLSA-N 0 1 285.366 2.928 20 30 CFEDMN CCCCCNC(=O)[C@@H](C)N[C@@H](C)c1ccc(C#N)cc1 ZINC000037502341 289822809 /nfs/dbraw/zinc/82/28/09/289822809.db2.gz DBPTYQIKMUQBCZ-UONOGXRCSA-N 0 1 287.407 2.904 20 30 CFEDMN CC(=Cc1scnc1C1CC1)c1nc(C)c(C#N)c(=O)[nH]1 ZINC000562461560 290045167 /nfs/dbraw/zinc/04/51/67/290045167.db2.gz VTAAPDIFHNZFIK-YVMONPNESA-N 0 1 298.371 2.844 20 30 CFEDMN N#Cc1ccc(-c2nc(C3(N)CCC3)no2)cc1Cl ZINC000564451560 290210170 /nfs/dbraw/zinc/21/01/70/290210170.db2.gz QIQWWKSEMIDNNR-UHFFFAOYSA-N 0 1 274.711 2.600 20 30 CFEDMN O=C(N[C@@H]1CCCc2cn[nH]c21)[C@@H]1CCCOCC1 ZINC000330217214 295380425 /nfs/dbraw/zinc/38/04/25/295380425.db2.gz IGPKRJFMRFCFMB-ZYHUDNBSSA-N 0 1 263.341 2.560 20 30 CFEDMN COc1c(F)cc(-c2cc3[nH]cnc3c(C#N)n2)cc1F ZINC001243221464 782079793 /nfs/dbraw/zinc/07/97/93/782079793.db2.gz KKLISQVWLDAMQA-UHFFFAOYSA-N 0 1 286.241 2.783 20 30 CFEDMN CC(C)(CO)[C@@H](CNC[C@H](C#N)CCC#N)c1ccccc1 ZINC000562997827 327739828 /nfs/dbraw/zinc/73/98/28/327739828.db2.gz XOTLTWYIRUUWRR-RDJZCZTQSA-N 0 1 299.418 2.822 20 30 CFEDMN N#CCCNCCc1cccc(OCC(F)(F)F)c1 ZINC000563002249 327741518 /nfs/dbraw/zinc/74/15/18/327741518.db2.gz DYZIKPSHKOTBFP-UHFFFAOYSA-N 0 1 272.270 2.673 20 30 CFEDMN C=CCCOCCNCc1conc1Cc1ccccc1 ZINC000339324673 328006264 /nfs/dbraw/zinc/00/62/64/328006264.db2.gz BQGBUHIDUPUHNR-UHFFFAOYSA-N 0 1 286.375 2.948 20 30 CFEDMN C[C@@H](C(=O)N1C[C@H](C)C[C@H](C)C1)N1CCC(CC#N)CC1 ZINC000541019598 328040664 /nfs/dbraw/zinc/04/06/64/328040664.db2.gz JNMFGCUSSHTRPJ-ZNMIVQPWSA-N 0 1 291.439 2.505 20 30 CFEDMN C#CCN1CCC(C(=O)N(C)[C@H]2CCCC[C@@H]2CC)CC1 ZINC000160907956 328093925 /nfs/dbraw/zinc/09/39/25/328093925.db2.gz RSFYQEZKCYTUKB-RDJZCZTQSA-N 0 1 290.451 2.759 20 30 CFEDMN C#CCN1CCC(C(=O)N(C)[C@@H]2CCCC[C@H]2CC)CC1 ZINC000160908092 328094019 /nfs/dbraw/zinc/09/40/19/328094019.db2.gz RSFYQEZKCYTUKB-NVXWUHKLSA-N 0 1 290.451 2.759 20 30 CFEDMN C#CCN1CCC(C(=O)N(C)[C@H]2CCCC[C@H]2CC)CC1 ZINC000160907829 328094060 /nfs/dbraw/zinc/09/40/60/328094060.db2.gz RSFYQEZKCYTUKB-WBVHZDCISA-N 0 1 290.451 2.759 20 30 CFEDMN CCOc1ccc(NC(=O)CCN[C@H](CC)CC#N)cc1 ZINC000571414793 328120173 /nfs/dbraw/zinc/12/01/73/328120173.db2.gz ZKNVIGISTGHIQV-CYBMUJFWSA-N 0 1 289.379 2.696 20 30 CFEDMN N#CC1(CNC(=O)c2cccc(C(F)(F)F)c2O)CCC1 ZINC000571461145 328123437 /nfs/dbraw/zinc/12/34/37/328123437.db2.gz OWTIDHPLRWJBBC-UHFFFAOYSA-N 0 1 298.264 2.835 20 30 CFEDMN CC[C@H](CC#N)NCCC(=O)Nc1cccc(Cl)c1 ZINC000582674013 329123291 /nfs/dbraw/zinc/12/32/91/329123291.db2.gz CKUDAQPQBFYGRC-GFCCVEGCSA-N 0 1 279.771 2.950 20 30 CFEDMN C[C@H](C#N)CN(C)C(=O)c1c(O)cc(Cl)cc1Cl ZINC000267491089 328178660 /nfs/dbraw/zinc/17/86/60/328178660.db2.gz GBBLPJKDYPIYBG-SSDOTTSWSA-N 0 1 287.146 2.931 20 30 CFEDMN C[C@@H](C#N)C[N@H+](C)Cc1cc(Cl)cc([N+](=O)[O-])c1[O-] ZINC000271138955 328195420 /nfs/dbraw/zinc/19/54/20/328195420.db2.gz UCMOJYAYMRYWAK-QMMMGPOBSA-N 0 1 283.715 2.545 20 30 CFEDMN C[C@@H](C#N)C[N@@H+](C)Cc1cc(Cl)cc([N+](=O)[O-])c1[O-] ZINC000271138955 328195421 /nfs/dbraw/zinc/19/54/21/328195421.db2.gz UCMOJYAYMRYWAK-QMMMGPOBSA-N 0 1 283.715 2.545 20 30 CFEDMN C[C@@H](NCc1ccc(OCC#N)cc1)c1ccc(F)cn1 ZINC000271533286 328196886 /nfs/dbraw/zinc/19/68/86/328196886.db2.gz XBEZWXHKQOCWNY-GFCCVEGCSA-N 0 1 285.322 2.974 20 30 CFEDMN CN(Cc1cnn(-c2ccccc2)c1)[C@H]1CC[C@@H](C#N)C1 ZINC000278529144 328226380 /nfs/dbraw/zinc/22/63/80/328226380.db2.gz DVNNRWDGSMCUEC-PBHICJAKSA-N 0 1 280.375 2.996 20 30 CFEDMN CN(Cc1ccccc1[N+](=O)[O-])[C@@H]1CC[C@@H](C#N)C1 ZINC000278616683 328228360 /nfs/dbraw/zinc/22/83/60/328228360.db2.gz NAVNLXXZEHBVOG-DGCLKSJQSA-N 0 1 259.309 2.719 20 30 CFEDMN CO[C@H]1COC[C@@H]1/N=C/c1cc(Cl)cc(Cl)c1O ZINC000290569925 328259544 /nfs/dbraw/zinc/25/95/44/328259544.db2.gz OHSGNURGVHHREV-YXZYOMLGSA-N 0 1 290.146 2.532 20 30 CFEDMN COc1ccc(Cl)cc1CN(C)CCOCCC#N ZINC000293452795 328276207 /nfs/dbraw/zinc/27/62/07/328276207.db2.gz KQUAKSUSNLCJFP-UHFFFAOYSA-N 0 1 282.771 2.711 20 30 CFEDMN C=CC[C@H](CO)CNCc1csc(C(C)(C)C)n1 ZINC000341253279 328405057 /nfs/dbraw/zinc/40/50/57/328405057.db2.gz BGXTYEONUOIWRE-NSHDSACASA-N 0 1 268.426 2.715 20 30 CFEDMN CC(=Cc1ccc(F)cc1)c1nc(C)c(C#N)c(=O)[nH]1 ZINC000193613999 324075019 /nfs/dbraw/zinc/07/50/19/324075019.db2.gz AJUDCIWZKSBFSX-CLFYSBASSA-N 0 1 269.279 2.650 20 30 CFEDMN N#Cc1ccc(CN2CCC(Cc3cccnc3)CC2)nc1 ZINC000577883744 324793438 /nfs/dbraw/zinc/79/34/38/324793438.db2.gz NNXDSQMBPSJTMK-UHFFFAOYSA-N 0 1 292.386 2.803 20 30 CFEDMN N#Cc1ccc(CN2C3CCC2CC3)c([N+](=O)[O-])c1 ZINC000578327016 324839832 /nfs/dbraw/zinc/83/98/32/324839832.db2.gz NRSHXQGNXMWMIV-UHFFFAOYSA-N 0 1 257.293 2.593 20 30 CFEDMN CC1(C)CC[C@@H]1NCc1c(C#N)cccc1[N+](=O)[O-] ZINC000580901100 325074139 /nfs/dbraw/zinc/07/41/39/325074139.db2.gz KFXIWCBNRXAAEY-ZDUSSCGKSA-N 0 1 259.309 2.745 20 30 CFEDMN Cc1cc(C[N@H+]2CCC[C@@H](CC(=O)[O-])C2)ccc1C#N ZINC000582713249 325228184 /nfs/dbraw/zinc/22/81/84/325228184.db2.gz JSPYMVFKDXRINT-ZDUSSCGKSA-N 0 1 272.348 2.553 20 30 CFEDMN CCN(CC)[C@H](CNC[C@@H](C#N)CCC#N)c1ccco1 ZINC000564847568 327011653 /nfs/dbraw/zinc/01/16/53/327011653.db2.gz OEPMGYIQXREXSP-HUUCEWRRSA-N 0 1 288.395 2.696 20 30 CFEDMN C[C@@H](OC[C@H](O)CNC[C@H](C)C#N)c1ccc(Cl)cc1 ZINC000573083762 327090016 /nfs/dbraw/zinc/09/00/16/327090016.db2.gz FOOPFJAWJMQYKA-LALPHHSUSA-N 0 1 296.798 2.528 20 30 CFEDMN N#CCCCNCc1cc(Br)ccc1F ZINC000041044096 327214793 /nfs/dbraw/zinc/21/47/93/327214793.db2.gz JMEFFHYBIZWHTA-UHFFFAOYSA-N 0 1 271.133 2.982 20 30 CFEDMN C=C(C)CCNCc1csc(N(C(C)=O)C2CC2)n1 ZINC000449477556 327247155 /nfs/dbraw/zinc/24/71/55/327247155.db2.gz PLUJMAMHSXYWRM-UHFFFAOYSA-N 0 1 279.409 2.714 20 30 CFEDMN CC#CCN(C)Cc1ccc(C(=O)OC(C)C)cc1 ZINC000555762163 327249209 /nfs/dbraw/zinc/24/92/09/327249209.db2.gz ZHIOTMSOKLDLBK-UHFFFAOYSA-N 0 1 259.349 2.707 20 30 CFEDMN CC[N@@H+](CC(=O)N(CCC#N)c1ccc(F)cc1)C1CC1 ZINC000560456727 327309453 /nfs/dbraw/zinc/30/94/53/327309453.db2.gz FHGYTPIORRENLU-UHFFFAOYSA-N 0 1 289.354 2.557 20 30 CFEDMN CCN(CC(=O)N(CCC#N)c1ccc(F)cc1)C1CC1 ZINC000560456727 327309455 /nfs/dbraw/zinc/30/94/55/327309455.db2.gz FHGYTPIORRENLU-UHFFFAOYSA-N 0 1 289.354 2.557 20 30 CFEDMN N#CC1(CNC[C@H](O)Cc2ccc(C(F)(F)F)cc2)CC1 ZINC000582416022 328984169 /nfs/dbraw/zinc/98/41/69/328984169.db2.gz RSIJGEJYOIVPKW-CYBMUJFWSA-N 0 1 298.308 2.502 20 30 CFEDMN C=CCNC(=O)[C@H](C)N1CCC(c2cccc(F)c2)CC1 ZINC000377990134 329036545 /nfs/dbraw/zinc/03/65/45/329036545.db2.gz HILJYFHTNDFQAZ-ZDUSSCGKSA-N 0 1 290.382 2.696 20 30 CFEDMN CCOC(=O)CN(CCCC(C)(C)C#N)CC(C)C ZINC000174834574 329163711 /nfs/dbraw/zinc/16/37/11/329163711.db2.gz CYHQNJIPBMEBFZ-UHFFFAOYSA-N 0 1 268.401 2.837 20 30 CFEDMN C=C(C)CN(C)CC(=O)N(Cc1ccc(C)o1)C1CC1 ZINC000181256299 329228227 /nfs/dbraw/zinc/22/82/27/329228227.db2.gz YGJLSYVKOWWCFZ-UHFFFAOYSA-N 0 1 276.380 2.587 20 30 CFEDMN C=C(C)CN(C)[C@H](C)C(=O)NCc1ccccc1Cl ZINC000181281752 329229191 /nfs/dbraw/zinc/22/91/91/329229191.db2.gz JRJHFCBWOQICOY-GFCCVEGCSA-N 0 1 280.799 2.853 20 30 CFEDMN C=CC[C@@H](CO)NCc1csc(-c2cccs2)n1 ZINC000184285207 329258701 /nfs/dbraw/zinc/25/87/01/329258701.db2.gz SGTUWJDYFOKEHW-JTQLQIEISA-N 0 1 280.418 2.898 20 30 CFEDMN CCOc1ncccc1CN[C@@H]1CCC[C@@H](C#N)C1 ZINC000185711732 329330419 /nfs/dbraw/zinc/33/04/19/329330419.db2.gz RKMLBLQRXGUCAS-TZMCWYRMSA-N 0 1 259.353 2.652 20 30 CFEDMN C=CCCC[C@@H](C)NC(=O)c1ccc(-c2nnc[nH]2)cc1 ZINC000186317136 329340762 /nfs/dbraw/zinc/34/07/62/329340762.db2.gz MYPIEUXEQLXLOT-GFCCVEGCSA-N 0 1 284.363 2.946 20 30 CFEDMN COc1ccc(CN2CCC(CC#N)CC2)cc1[N+](=O)[O-] ZINC000397185004 329346123 /nfs/dbraw/zinc/34/61/23/329346123.db2.gz ZZYFDRPVBRYZTB-UHFFFAOYSA-N 0 1 289.335 2.729 20 30 CFEDMN COc1ccc(CN2CCC(CC#N)CC2)cc1C#N ZINC000397329201 329350083 /nfs/dbraw/zinc/35/00/83/329350083.db2.gz YUWSBCMICSCLKR-UHFFFAOYSA-N 0 1 269.348 2.693 20 30 CFEDMN C=C(C)CN(CC)C(=O)c1c[nH]c2ccccc2c1=O ZINC000063683319 329391536 /nfs/dbraw/zinc/39/15/36/329391536.db2.gz JBZDTTKPYJYPNO-UHFFFAOYSA-N 0 1 270.332 2.566 20 30 CFEDMN C=CCOc1ccc(C[N@H+](C)[C@@H](C)C(=O)[O-])cc1Cl ZINC000263406911 330054441 /nfs/dbraw/zinc/05/44/41/330054441.db2.gz KEHLIIIQKZQYFJ-JTQLQIEISA-N 0 1 283.755 2.810 20 30 CFEDMN C#CCN(Cc1cc(OC)c(OCC)c(OC)c1)C1CC1 ZINC000274180687 330103607 /nfs/dbraw/zinc/10/36/07/330103607.db2.gz YAVQDWRYYCMEMI-UHFFFAOYSA-N 0 1 289.375 2.700 20 30 CFEDMN C=C(C)[C@H](N[C@H](C)CC(=O)NC)c1ccc(F)c(F)c1 ZINC000274783195 330107545 /nfs/dbraw/zinc/10/75/45/330107545.db2.gz PSQYQJXOGSNLEJ-BMIGLBTASA-N 0 1 282.334 2.696 20 30 CFEDMN C=C(C)[C@@H](N[C@@H](C)CC(=O)NC)c1ccc(F)c(F)c1 ZINC000274783198 330107779 /nfs/dbraw/zinc/10/77/79/330107779.db2.gz PSQYQJXOGSNLEJ-ZUZCIYMTSA-N 0 1 282.334 2.696 20 30 CFEDMN C=CCOc1ccccc1C[N@H+]1C[C@@H](C)C[C@H](C(=O)[O-])C1 ZINC000422632066 330150516 /nfs/dbraw/zinc/15/05/16/330150516.db2.gz GAEPTYPCRDZWMC-ZFWWWQNUSA-N 0 1 289.375 2.794 20 30 CFEDMN C=CCn1cc(CN[C@@H]2C[C@@H](OC(C)(C)C)C2(C)C)nn1 ZINC000424294274 330335546 /nfs/dbraw/zinc/33/55/46/330335546.db2.gz KEBWJOREMCUZAJ-ZIAGYGMSSA-N 0 1 292.427 2.536 20 30 CFEDMN C=CCn1cc(CN[C@H]2C[C@@H](OC(C)(C)C)C2(C)C)nn1 ZINC000424294273 330335622 /nfs/dbraw/zinc/33/56/22/330335622.db2.gz KEBWJOREMCUZAJ-UONOGXRCSA-N 0 1 292.427 2.536 20 30 CFEDMN C=CCn1cc(CN[C@H]2C[C@H](OC(C)(C)C)C2(C)C)nn1 ZINC000424294271 330335639 /nfs/dbraw/zinc/33/56/39/330335639.db2.gz KEBWJOREMCUZAJ-KBPBESRZSA-N 0 1 292.427 2.536 20 30 CFEDMN C=CCn1cc(CN[C@H]2C[C@@H](OCC)C2(CC)CC)nn1 ZINC000424290377 330338368 /nfs/dbraw/zinc/33/83/68/330338368.db2.gz BOFTVCLVZVNULW-LSDHHAIUSA-N 0 1 292.427 2.538 20 30 CFEDMN C=CCOc1ccc(C[N@@H+]2CCC[C@H](C)[C@H]2C(=O)[O-])cc1 ZINC000424413862 330350534 /nfs/dbraw/zinc/35/05/34/330350534.db2.gz GIOAFOBRVUXBJD-BBRMVZONSA-N 0 1 289.375 2.937 20 30 CFEDMN COc1cc(CNC2CC(C#N)(c3ccccc3)C2)ccn1 ZINC000158480397 330832344 /nfs/dbraw/zinc/83/23/44/330832344.db2.gz WNEBRYGMNZRMDS-UHFFFAOYSA-N 0 1 293.370 2.804 20 30 CFEDMN C=CCN(CC=C)C(=O)[C@H](C)N[C@@H](c1cccnc1)C1CC1 ZINC000445809294 330837763 /nfs/dbraw/zinc/83/77/63/330837763.db2.gz VTGOOIOSUJPENR-WMLDXEAASA-N 0 1 299.418 2.711 20 30 CFEDMN C=C[C@@H]1OCC[C@H]1NCc1ccc(OC)c(OC)c1Cl ZINC000449519155 330933274 /nfs/dbraw/zinc/93/32/74/330933274.db2.gz LYLWXUVANPHFFC-NEPJUHHUSA-N 0 1 297.782 2.790 20 30 CFEDMN C=C[C@@H]1OCCC[C@H]1NCc1ncc(CC)s1 ZINC000449549462 330935942 /nfs/dbraw/zinc/93/59/42/330935942.db2.gz YEUXMWMIUCPXMW-NEPJUHHUSA-N 0 1 252.383 2.529 20 30 CFEDMN C=CCOc1ccc(CN[C@H](CC)C(=O)NC)cc1Cl ZINC000449778248 330949686 /nfs/dbraw/zinc/94/96/86/330949686.db2.gz RNKMCZIDVOELOJ-CYBMUJFWSA-N 0 1 296.798 2.519 20 30 CFEDMN C[C@H](NCC1(C#N)CCC1)c1ccc(-n2ccnn2)cc1 ZINC000450686547 330993638 /nfs/dbraw/zinc/99/36/38/330993638.db2.gz CHPJDEBHMRGBPW-ZDUSSCGKSA-N 0 1 281.363 2.612 20 30 CFEDMN C=CCC(C)(C)C(=O)N=c1cc(-c2ccc(C)o2)[nH][nH]1 ZINC000451231665 331021330 /nfs/dbraw/zinc/02/13/30/331021330.db2.gz TYJAICUNTUQHIT-UHFFFAOYSA-N 0 1 273.336 2.941 20 30 CFEDMN C[C@H]1CN(CCCC#N)C2(CCCC2)C[N@@H+]1CCCC#N ZINC000451348580 331025218 /nfs/dbraw/zinc/02/52/18/331025218.db2.gz XXQAGCLGLRFYAH-INIZCTEOSA-N 0 1 288.439 2.913 20 30 CFEDMN C=C[C@@H]1OCC[C@H]1NCc1ccn(CCc2ccccc2)n1 ZINC000451609302 331036648 /nfs/dbraw/zinc/03/66/48/331036648.db2.gz CSYNYTMJPDNARL-MSOLQXFVSA-N 0 1 297.402 2.559 20 30 CFEDMN C=C[C@@H]1OCC[C@H]1NCC(=O)Nc1c(C)cccc1Cl ZINC000451612147 331036981 /nfs/dbraw/zinc/03/69/81/331036981.db2.gz ZMVIWEOMFPRGPC-OLZOCXBDSA-N 0 1 294.782 2.520 20 30 CFEDMN COc1ccc2c(c1)CN(CCCSCC#N)CCO2 ZINC000451644854 331037659 /nfs/dbraw/zinc/03/76/59/331037659.db2.gz WFQXAZQPMMKMFW-UHFFFAOYSA-N 0 1 292.404 2.536 20 30 CFEDMN C=CCCCCCN1CCCC[C@H]1CS(C)(=O)=O ZINC000451654341 331037929 /nfs/dbraw/zinc/03/79/29/331037929.db2.gz VAYDHVWLDLSGBM-AWEZNQCLSA-N 0 1 273.442 2.632 20 30 CFEDMN C=CCNC(=O)CN1CCC[C@@H]1c1ccc(F)cc1C ZINC000451972381 331049013 /nfs/dbraw/zinc/04/90/13/331049013.db2.gz OELSPKWTVINGHB-OAHLLOKOSA-N 0 1 276.355 2.573 20 30 CFEDMN Cc1ccc(CN(C)[C@@H](C)C(=O)NC2(C#N)CCC2)cc1C ZINC000452050769 331052097 /nfs/dbraw/zinc/05/20/97/331052097.db2.gz XNDPXZVKGQOEDZ-HNNXBMFYSA-N 0 1 299.418 2.686 20 30 CFEDMN C=C(C)C[C@@H](C)C(=O)N1CCN(CC)C[C@@H]1CC ZINC000456387000 331191947 /nfs/dbraw/zinc/19/19/47/331191947.db2.gz SDJWDOVEUIFHLH-KGLIPLIRSA-N 0 1 252.402 2.531 20 30 CFEDMN C[C@@H](C(=O)NCC(C)(C)CC#N)N(C)Cc1ccccc1 ZINC000457994404 331239847 /nfs/dbraw/zinc/23/98/47/331239847.db2.gz OEGISXBWFPSSEW-AWEZNQCLSA-N 0 1 287.407 2.563 20 30 CFEDMN Cc1ccc2nc(CNC(=O)NCC(C)(C)CC#N)[nH]c2c1 ZINC000458482248 331251926 /nfs/dbraw/zinc/25/19/26/331251926.db2.gz NKQQRNCHRVXISY-UHFFFAOYSA-N 0 1 299.378 2.610 20 30 CFEDMN C[C@@H]1CN(c2ccccc2CN2CCC(C#N)CC2)CCO1 ZINC000459331791 331276597 /nfs/dbraw/zinc/27/65/97/331276597.db2.gz WXUJEVCJSPXDRU-OAHLLOKOSA-N 0 1 299.418 2.647 20 30 CFEDMN CCOc1ccccc1OCCN[C@@H]1CCC[C@@H]1C#N ZINC000459468124 331283238 /nfs/dbraw/zinc/28/32/38/331283238.db2.gz QURMIOKYZDXZHJ-ZIAGYGMSSA-N 0 1 274.364 2.746 20 30 CFEDMN CCc1cccc(OCCN[C@H]2CCC[C@H]2C#N)c1 ZINC000459469523 331283390 /nfs/dbraw/zinc/28/33/90/331283390.db2.gz RNLYVYDYOLZELP-HOCLYGCPSA-N 0 1 258.365 2.910 20 30 CFEDMN N#C[C@@H]1CCC[C@H]1NCCC(=O)Nc1cccc(Cl)c1 ZINC000459473957 331283673 /nfs/dbraw/zinc/28/36/73/331283673.db2.gz YEMSWYAJRDISQP-SMDDNHRTSA-N 0 1 291.782 2.950 20 30 CFEDMN C=CCOc1ccc(CN2C[C@@H]3C[C@H]2CS3)cc1OC ZINC000459743416 331297687 /nfs/dbraw/zinc/29/76/87/331297687.db2.gz CIGMNBDZWAGOHW-KBPBESRZSA-N 0 1 291.416 2.950 20 30 CFEDMN C=C[C@](C)(CCOC)C(=O)Nc1nc2ccc(F)cc2[nH]1 ZINC000488894521 332032642 /nfs/dbraw/zinc/03/26/42/332032642.db2.gz IFRWINRKEYWHAX-OAHLLOKOSA-N 0 1 291.326 2.869 20 30 CFEDMN C=C[C@@H]1CCCCN1CC(=O)N(C)Cc1ccccc1 ZINC000489423300 332051204 /nfs/dbraw/zinc/05/12/04/332051204.db2.gz GUELSNFZMPHSFW-MRXNPFEDSA-N 0 1 272.392 2.686 20 30 CFEDMN C=C[C@H]1CCCCN1CC(=O)N(C)Cc1ccccc1 ZINC000489423299 332051290 /nfs/dbraw/zinc/05/12/90/332051290.db2.gz GUELSNFZMPHSFW-INIZCTEOSA-N 0 1 272.392 2.686 20 30 CFEDMN C=C[C@@H]1CCCCN1CC(=O)N1C[C@H](C)C[C@@H](C)C1 ZINC000489432563 332051801 /nfs/dbraw/zinc/05/18/01/332051801.db2.gz GHJPMSLYTSWZSB-RBSFLKMASA-N 0 1 264.413 2.531 20 30 CFEDMN C=C[C@H]1CCCCN1Cc1cc(-c2cnn(C)c2C)no1 ZINC000489443880 332052974 /nfs/dbraw/zinc/05/29/74/332052974.db2.gz YCXPMSRLUKDDRN-ZDUSSCGKSA-N 0 1 286.379 2.924 20 30 CFEDMN C=C[C@@H]1CCCCN1CCc1nc2ccccc2c(=O)[nH]1 ZINC000489468755 332054508 /nfs/dbraw/zinc/05/45/08/332054508.db2.gz BYRRPAGOFZYJGL-CYBMUJFWSA-N 0 1 283.375 2.918 20 30 CFEDMN C=C[C@@H]1CCCCN1CC(=O)N(C)[C@@H](C)CC(C)C ZINC000489470408 332054568 /nfs/dbraw/zinc/05/45/68/332054568.db2.gz CIAFCRMXUWAGBV-LSDHHAIUSA-N 0 1 266.429 2.920 20 30 CFEDMN CCc1ccc([C@H](C#N)NC(=O)CN2CCC(C)CC2)cc1 ZINC000489962708 332074797 /nfs/dbraw/zinc/07/47/97/332074797.db2.gz JWOUXVQRMPLFGW-KRWDZBQOSA-N 0 1 299.418 2.662 20 30 CFEDMN C#CCN1CCC(C(=O)N2CCC[C@H]2CC(C)(C)C)CC1 ZINC000490590906 332093744 /nfs/dbraw/zinc/09/37/44/332093744.db2.gz YYSIUIQENMERCE-INIZCTEOSA-N 0 1 290.451 2.759 20 30 CFEDMN C#CCN1CCC(C(=O)O[C@H](C)CCCC=C)CC1 ZINC000490893997 332126500 /nfs/dbraw/zinc/12/65/00/332126500.db2.gz YSBRDBWVBLRELH-CQSZACIVSA-N 0 1 263.381 2.620 20 30 CFEDMN C#CCNC(=O)c1cccc(CN(C)Cc2ccccc2)c1 ZINC000490932772 332130408 /nfs/dbraw/zinc/13/04/08/332130408.db2.gz AIYUBENDQYMTMF-UHFFFAOYSA-N 0 1 292.382 2.682 20 30 CFEDMN C#CCN1CCC(C(=O)OC[C@@H]2CCCCC2(F)F)CC1 ZINC000491619450 332245148 /nfs/dbraw/zinc/24/51/48/332245148.db2.gz BBOBYNLXMVSGLN-AWEZNQCLSA-N 0 1 299.361 2.700 20 30 CFEDMN C#C[C@@H](NC1CCOCC1)c1ccc(Cl)cc1F ZINC000491660906 332271098 /nfs/dbraw/zinc/27/10/98/332271098.db2.gz OWKRRBPWWWMBIF-CQSZACIVSA-N 0 1 267.731 2.922 20 30 CFEDMN C#C[C@@H](CC)NCc1nc2cc(Cl)ccc2n1C ZINC000491804157 332358111 /nfs/dbraw/zinc/35/81/11/332358111.db2.gz KMWQJKIBRMOWCJ-NSHDSACASA-N 0 1 261.756 2.728 20 30 CFEDMN C#CCn1ccnc1C=NNc1nc2ccccc2cc1C ZINC000491809557 332362287 /nfs/dbraw/zinc/36/22/87/332362287.db2.gz XRXTUWOJGQXJIT-UHFFFAOYSA-N 0 1 289.342 2.819 20 30 CFEDMN C=C(C)[C@@H](NC[C@H]1CN(C)C(=O)O1)c1ccc(F)c(F)c1 ZINC000495660544 332526492 /nfs/dbraw/zinc/52/64/92/332526492.db2.gz BPEQJEJPLVGCBI-SMDDNHRTSA-N 0 1 296.317 2.622 20 30 CFEDMN CC#CCN1CCC(F)(c2cccc(OC)c2)CC1 ZINC000500156753 332600928 /nfs/dbraw/zinc/60/09/28/332600928.db2.gz RWRIUPVRVNZDAG-UHFFFAOYSA-N 0 1 261.340 2.979 20 30 CFEDMN C=CCNC(=O)CN[C@]1(c2cccc(C)c2)C[C@@H]1CC ZINC000502506167 332663736 /nfs/dbraw/zinc/66/37/36/332663736.db2.gz DTAYWRZFPRHIQP-WMLDXEAASA-N 0 1 272.392 2.512 20 30 CFEDMN C#CCN1CCC(C(=O)N2CCC[C@](C)(CCC)C2)CC1 ZINC000173645312 332976915 /nfs/dbraw/zinc/97/69/15/332976915.db2.gz MYGYJCFWCWCDMO-SFHVURJKSA-N 0 1 290.451 2.760 20 30 CFEDMN Cc1cccc2nc(CCC(=O)N(C)[C@H](C)CC#N)[nH]c21 ZINC000176238917 333040386 /nfs/dbraw/zinc/04/03/86/333040386.db2.gz AYBKYTPTKLIJGO-GFCCVEGCSA-N 0 1 284.363 2.565 20 30 CFEDMN C#CCN(Cc1cc(-c2cnn(C)c2C)no1)C1CCCC1 ZINC000184614584 333130483 /nfs/dbraw/zinc/13/04/83/333130483.db2.gz FYNQFCXCHUGBOD-UHFFFAOYSA-N 0 1 298.390 2.761 20 30 CFEDMN C#CCN1CCC(C(=O)N([C@@H](C)CC)[C@@H](C)CC)CC1 ZINC000184939196 333133434 /nfs/dbraw/zinc/13/34/34/333133434.db2.gz BIDQPRQNDAZPQG-GJZGRUSLSA-N 0 1 278.440 2.757 20 30 CFEDMN C#CCN[C@H](C)c1ccc(Br)cc1OC ZINC000190450780 333207025 /nfs/dbraw/zinc/20/70/25/333207025.db2.gz YMBQYZDDERVFJD-SECBINFHSA-N 0 1 268.154 2.742 20 30 CFEDMN CC(C)(C)OC(=O)[C@@H]1CCN(CC#Cc2ccccc2)C1 ZINC000192059937 333229032 /nfs/dbraw/zinc/22/90/32/333229032.db2.gz QSRZOBZJCCTIQX-MRXNPFEDSA-N 0 1 285.387 2.702 20 30 CFEDMN C=C(C)CN(CC)C(=O)CN(C)[C@H]1C[C@@H](OCC)C1(C)C ZINC000524621195 333369186 /nfs/dbraw/zinc/36/91/86/333369186.db2.gz YGSFFIYMMJFXTK-LSDHHAIUSA-N 0 1 296.455 2.546 20 30 CFEDMN CN1CCC(C#N)(NC(=O)C[C@@H]2CCCC(C)(C)C2)CC1 ZINC000540106683 333709744 /nfs/dbraw/zinc/70/97/44/333709744.db2.gz PSRMZQWRTRDDFP-AWEZNQCLSA-N 0 1 291.439 2.697 20 30 CFEDMN CC#CCC[N@H+]1CCC[C@H](CC(=O)OC(C)(C)C)C1 ZINC000545904411 334005378 /nfs/dbraw/zinc/00/53/78/334005378.db2.gz IHJLGVFEYDOSDP-CQSZACIVSA-N 0 1 265.397 2.844 20 30 CFEDMN C=C(C)CN(CC)C(=O)[C@@H](C)N(C)Cc1ccccc1 ZINC000078605559 334137159 /nfs/dbraw/zinc/13/71/59/334137159.db2.gz LKBQBBQRERMZJJ-OAHLLOKOSA-N 0 1 274.408 2.932 20 30 CFEDMN C=CCOCCN1C[C@H](C2CCCCC2)C[C@@H]1C(=O)OC ZINC000549861001 334207201 /nfs/dbraw/zinc/20/72/01/334207201.db2.gz VQWRPXTUGRGLOF-HZPDHXFCSA-N 0 1 295.423 2.633 20 30 CFEDMN C=CCCCN(C)[C@@H]1CCN(c2c(F)cccc2F)C1=O ZINC000088523488 334339252 /nfs/dbraw/zinc/33/92/52/334339252.db2.gz GEJDTVIWGHUDMN-CQSZACIVSA-N 0 1 294.345 2.968 20 30 CFEDMN N#CC(C(=O)c1cnc([C@H]2CCCO2)s1)c1ccccn1 ZINC000089966711 334354441 /nfs/dbraw/zinc/35/44/41/334354441.db2.gz UGHDNAFMVWPSID-ZYHUDNBSSA-N 0 1 299.355 2.880 20 30 CFEDMN C#CCN1CCC(C(=O)N(C)C2CCC(C)(C)CC2)CC1 ZINC000152718231 334510291 /nfs/dbraw/zinc/51/02/91/334510291.db2.gz OCNQOZKYSWZLRM-UHFFFAOYSA-N 0 1 290.451 2.759 20 30 CFEDMN C[C@@H](CC#N)N(C)C(=O)c1cccc(C(F)(F)F)c1O ZINC000565181284 334543197 /nfs/dbraw/zinc/54/31/97/334543197.db2.gz MRLKNFRHOQKUGA-QMMMGPOBSA-N 0 1 286.253 2.785 20 30 CFEDMN Cc1cccc2nc(CCC(=O)N3CCC(C#N)CC3)[nH]c21 ZINC000175949105 335219925 /nfs/dbraw/zinc/21/99/25/335219925.db2.gz AIDBOKJDEFFFTJ-UHFFFAOYSA-N 0 1 296.374 2.566 20 30 CFEDMN C[C@H](N[C@@H]1CC[C@H](C#N)C1)c1cn2ccccc2n1 ZINC000577413515 335350419 /nfs/dbraw/zinc/35/04/19/335350419.db2.gz XIWKNKVBOGZAMW-RWMBFGLXSA-N 0 1 254.337 2.677 20 30 CFEDMN C[C@@H]1CCCN(CC#Cc2cccc(Cl)c2)[C@H]1CO ZINC000346271574 335363101 /nfs/dbraw/zinc/36/31/01/335363101.db2.gz FQXIFPCJQDIZJO-CJNGLKHVSA-N 0 1 277.795 2.784 20 30 CFEDMN C=C(C)COCCNCc1ncc(C(C)C)s1 ZINC000183915000 335912741 /nfs/dbraw/zinc/91/27/41/335912741.db2.gz RZFZSCFIUQFMOJ-UHFFFAOYSA-N 0 1 254.399 2.949 20 30 CFEDMN CC[C@H](NCc1ccc(CC#N)cc1)c1nccn1C ZINC000581071396 336004219 /nfs/dbraw/zinc/00/42/19/336004219.db2.gz LPBVGIGXOXQELK-HNNXBMFYSA-N 0 1 268.364 2.727 20 30 CFEDMN C=CCCCCCNC(=O)NCc1n[nH]c(C(C)(C)C)n1 ZINC000581139651 336014656 /nfs/dbraw/zinc/01/46/56/336014656.db2.gz FFCZXOGJSMJPGW-UHFFFAOYSA-N 0 1 293.415 2.648 20 30 CFEDMN C=CCCC[N@H+](C)[C@H](C(=O)[O-])c1ccc(F)cc1 ZINC000581375014 336064391 /nfs/dbraw/zinc/06/43/91/336064391.db2.gz LELFHOYECYLDDU-ZDUSSCGKSA-N 0 1 251.301 2.849 20 30 CFEDMN C=C(C)CN1CC[C@H]1CN(C)C(=O)C1=CCCCCC1 ZINC001085564970 782098508 /nfs/dbraw/zinc/09/85/08/782098508.db2.gz ZLCMTRZKIZBYRJ-INIZCTEOSA-N 0 1 276.424 2.986 20 30 CFEDMN C#CCCN1CC[C@H]1CN(C)C(=O)[C@H]1CCC(C)=C(C)C1 ZINC001085614200 782114357 /nfs/dbraw/zinc/11/43/57/782114357.db2.gz IGBLQROAGCEXMU-IRXDYDNUSA-N 0 1 288.435 2.679 20 30 CFEDMN C#CCN(CC)Cc1ccc(OC)c(Br)c1 ZINC000749194460 574284069 /nfs/dbraw/zinc/28/40/69/574284069.db2.gz FNGBPBFHDZZDIK-UHFFFAOYSA-N 0 1 282.181 2.913 20 30 CFEDMN Cc1cccc(NC(=O)C(C#N)C(=O)[C@@H]2[C@H](C)[C@H]2C2CC2)c1 ZINC000528918170 500984647 /nfs/dbraw/zinc/98/46/47/500984647.db2.gz HYRAMMCQGIRQIO-BQDHKBFISA-N 0 1 296.370 2.935 20 30 CFEDMN C[C@@H]1C[C@H](C(=O)Nc2ccc3nc[nH]c3c2)CC(=O)N1 ZINC000329030569 533776675 /nfs/dbraw/zinc/77/66/75/533776675.db2.gz AVIQRZCTOLBGRW-BDAKNGLRSA-N 0 1 272.308 2.906 20 30 CFEDMN COC(=O)c1ccc(CN(C)[C@@H](C)c2cccc(C#N)c2)[nH]1 ZINC000425364137 534098961 /nfs/dbraw/zinc/09/89/61/534098961.db2.gz FNESGKBUSCKVJO-LBPRGKRZSA-N 0 1 297.358 2.866 20 30 CFEDMN C[C@H](C#N)Sc1nc(C=Cc2ccccc2)n[nH]1 ZINC000344257556 534290612 /nfs/dbraw/zinc/29/06/12/534290612.db2.gz KZOAHOVMJCLVGD-GQYWMQPJSA-N 0 1 256.334 2.979 20 30 CFEDMN CC(=O)Nc1cccc(CNCc2cccc(C#N)c2)c1 ZINC000069831622 519739922 /nfs/dbraw/zinc/73/99/22/519739922.db2.gz VUJHKDJNZMPIRD-UHFFFAOYSA-N 0 1 279.343 2.806 20 30 CFEDMN CC(C)n1cc(C#N)c(=NC(=O)[C@@H]2CCCC2(C)C)[nH]1 ZINC000336085992 519931976 /nfs/dbraw/zinc/93/19/76/519931976.db2.gz RUKOWQGJYKPXEI-LBPRGKRZSA-N 0 1 274.368 2.522 20 30 CFEDMN CCN(CC(=O)Nc1sccc1C#N)CC1CCC1 ZINC000361480668 520373516 /nfs/dbraw/zinc/37/35/16/520373516.db2.gz DOWDMISGROAUOZ-UHFFFAOYSA-N 0 1 277.393 2.680 20 30 CFEDMN CCN1CCC[C@@H](Nc2nccc(C#N)c2Cl)C1 ZINC000233468646 521626280 /nfs/dbraw/zinc/62/62/80/521626280.db2.gz HWKGDASWIIIBEU-LLVKDONJSA-N 0 1 264.760 2.503 20 30 CFEDMN COC(=O)C(C)(C)CCN(C)Cc1cc(C#N)ccc1F ZINC000338546817 522750164 /nfs/dbraw/zinc/75/01/64/522750164.db2.gz PXVYAGNOQYAPMX-UHFFFAOYSA-N 0 1 292.354 2.718 20 30 CFEDMN COCCN(CC=C(C)C)Cc1ccc(C#N)cc1 ZINC000063754061 523689174 /nfs/dbraw/zinc/68/91/74/523689174.db2.gz BWWIIBPUJYPSTJ-UHFFFAOYSA-N 0 1 258.365 2.973 20 30 CFEDMN CC[C@H](C(=O)N=c1[nH]n(C(C)C)cc1C#N)c1ccccc1 ZINC000361913403 523769629 /nfs/dbraw/zinc/76/96/29/523769629.db2.gz JAWWFHTVKQEIHM-HNNXBMFYSA-N 0 1 296.374 2.890 20 30 CFEDMN CO[C@@]1(C)CCCN(Cc2cccc(C#N)c2F)C1 ZINC000230264947 523808472 /nfs/dbraw/zinc/80/84/72/523808472.db2.gz UTSGLGVBONVUIU-HNNXBMFYSA-N 0 1 262.328 2.698 20 30 CFEDMN COc1ccc(CN(C)CCC(F)(F)F)cc1C#N ZINC000088420168 524001959 /nfs/dbraw/zinc/00/19/59/524001959.db2.gz XZVUBNIUTFLKFE-UHFFFAOYSA-N 0 1 272.270 2.951 20 30 CFEDMN COc1ccc(CN[C@@H]2CCc3ccc(C#N)cc32)cn1 ZINC000353425465 524086879 /nfs/dbraw/zinc/08/68/79/524086879.db2.gz KIHHQZLCXJXORG-MRXNPFEDSA-N 0 1 279.343 2.739 20 30 CFEDMN O=C(CC[C@@H]1CCCO1)N[C@@H]1CCCc2cn[nH]c21 ZINC000330100651 534766031 /nfs/dbraw/zinc/76/60/31/534766031.db2.gz DPGJXSJURYMLPB-NWDGAFQWSA-N 0 1 263.341 2.703 20 30 CFEDMN C[C@@H](C(=O)Nc1cccc(C#N)c1)N1CCC2(CC2)CC1 ZINC000366681166 524267461 /nfs/dbraw/zinc/26/74/61/524267461.db2.gz MSPAHMLYSOBATM-ZDUSSCGKSA-N 0 1 283.375 2.761 20 30 CFEDMN C[C@H]1CCN(Cc2ccc(C#N)c(F)c2)C[C@@H]1n1ccnc1 ZINC000192119306 524295181 /nfs/dbraw/zinc/29/51/81/524295181.db2.gz YDZKTOAMDDDMQG-GUYCJALGSA-N 0 1 298.365 2.977 20 30 CFEDMN C[C@@H]1CC[C@@H](C)N(CC(=O)Nc2ccc(C#N)cc2)C1 ZINC000088704547 524572948 /nfs/dbraw/zinc/57/29/48/524572948.db2.gz JYMFLDTWRWUHFU-CHWSQXEVSA-N 0 1 271.364 2.617 20 30 CFEDMN C[C@@H](Cn1cccn1)NCc1ccc(C#N)cc1Cl ZINC000162645709 524954606 /nfs/dbraw/zinc/95/46/06/524954606.db2.gz BTDOSHCSYWHWOC-NSHDSACASA-N 0 1 274.755 2.586 20 30 CFEDMN C=CCN(CCc1ccccc1)C(=O)NCc1cn[nH]c1C ZINC000263860691 534838109 /nfs/dbraw/zinc/83/81/09/534838109.db2.gz WSDVFFLQSPPEPV-UHFFFAOYSA-N 0 1 298.390 2.658 20 30 CFEDMN C[C@@H](N[C@@H](C)c1cccnc1)C(=O)Nc1ccccc1C#N ZINC000194722476 525616597 /nfs/dbraw/zinc/61/65/97/525616597.db2.gz WJWSHFYLLSIWAT-QWHCGFSZSA-N 0 1 294.358 2.631 20 30 CFEDMN C[C@H](CC(C)(C)C)C(=O)N=c1[nH]n(C(C)(C)C)cc1C#N ZINC000361861661 526255750 /nfs/dbraw/zinc/25/57/50/526255750.db2.gz FGCWGRDJOXLBPX-LLVKDONJSA-N 0 1 290.411 2.942 20 30 CFEDMN C=CC[N@H+](CCCC(=O)[O-])Cc1ccc(OC)cc1 ZINC000116366890 526273612 /nfs/dbraw/zinc/27/36/12/526273612.db2.gz JYUCNFPFDQVCRL-UHFFFAOYSA-N 0 1 263.337 2.548 20 30 CFEDMN C=CCN(CCc1cn[nH]c1)Cc1ccccc1F ZINC000347747736 526329006 /nfs/dbraw/zinc/32/90/06/526329006.db2.gz DMBQNNZZBKZNDB-UHFFFAOYSA-N 0 1 259.328 2.780 20 30 CFEDMN N#Cc1ccc(C(=O)N2CCc3cccc(F)c32)cc1O ZINC000336170861 526593826 /nfs/dbraw/zinc/59/38/26/526593826.db2.gz FDNDTLAINUHFGJ-UHFFFAOYSA-N 0 1 282.274 2.606 20 30 CFEDMN C=C(C)CNC(=O)c1cc(Br)cc2nc[nH]c21 ZINC000335922282 526622076 /nfs/dbraw/zinc/62/20/76/526622076.db2.gz PGVATMLJLGPROM-UHFFFAOYSA-N 0 1 294.152 2.631 20 30 CFEDMN N#Cc1ccc(CNCc2ccc(Cn3cccn3)cc2)o1 ZINC000174250922 526622635 /nfs/dbraw/zinc/62/26/35/526622635.db2.gz MYXAWATZBVBOQA-UHFFFAOYSA-N 0 1 292.342 2.686 20 30 CFEDMN N#Cc1ccc(CN[C@H](CCO)c2ccccc2)c(F)c1 ZINC000305760262 526626837 /nfs/dbraw/zinc/62/68/37/526626837.db2.gz DHRFNCVRRMWQKT-QGZVFWFLSA-N 0 1 284.334 2.911 20 30 CFEDMN N#Cc1ccc(CN[C@H](CO)c2ccccc2)cc1F ZINC000192149230 526627030 /nfs/dbraw/zinc/62/70/30/526627030.db2.gz NMTLNMQZBCSTCR-MRXNPFEDSA-N 0 1 270.307 2.521 20 30 CFEDMN N#Cc1cccc(CN(CCC2CCCCC2)CC(N)=O)c1 ZINC000059958030 526702497 /nfs/dbraw/zinc/70/24/97/526702497.db2.gz AHBAPAPECJMTAG-UHFFFAOYSA-N 0 1 299.418 2.816 20 30 CFEDMN N#Cc1cccc(CN2CCCSCC2)c1F ZINC000223571656 526703804 /nfs/dbraw/zinc/70/38/04/526703804.db2.gz CBUFMTJQDXPBHB-UHFFFAOYSA-N 0 1 250.342 2.636 20 30 CFEDMN N#Cc1cccc(CNCc2ccnc(OC(F)F)c2)c1 ZINC000341263787 526709406 /nfs/dbraw/zinc/70/94/06/526709406.db2.gz DWJSHYXOOHHUFN-UHFFFAOYSA-N 0 1 289.285 2.844 20 30 CFEDMN N#Cc1cccc(NC(=O)CN2CCCC3(CCC3)C2)c1 ZINC000366340537 526716533 /nfs/dbraw/zinc/71/65/33/526716533.db2.gz HIRSPDHSSBABJF-UHFFFAOYSA-N 0 1 283.375 2.763 20 30 CFEDMN C#CCCOc1ccc(CNCc2c(C)nn(C)c2C)cc1 ZINC000113331972 526743768 /nfs/dbraw/zinc/74/37/68/526743768.db2.gz XAUCDSRRQVQTBQ-UHFFFAOYSA-N 0 1 297.402 2.729 20 30 CFEDMN C#CCN1CCC(c2nc(-c3ccccc3OC)no2)CC1 ZINC000109455720 526937258 /nfs/dbraw/zinc/93/72/58/526937258.db2.gz LKUBZAJJYSLDJO-UHFFFAOYSA-N 0 1 297.358 2.558 20 30 CFEDMN C=CCCC[C@@H](C)NC(=O)c1csc(=NC2CC2)[nH]1 ZINC000345024546 527270686 /nfs/dbraw/zinc/27/06/86/527270686.db2.gz IUKUDVZVDCHAST-SNVBAGLBSA-N 0 1 279.409 2.614 20 30 CFEDMN CC(C)[C@](C)(C#N)NC(=O)CN1CCC(C)(C2CC2)CC1 ZINC000352201323 527927981 /nfs/dbraw/zinc/92/79/81/527927981.db2.gz RJYHCMOARZSVDX-KRWDZBQOSA-N 0 1 291.439 2.553 20 30 CFEDMN C=C1CCC(C(=O)N(C)C[C@H]2CCN2CCCF)CC1 ZINC001085798057 782165950 /nfs/dbraw/zinc/16/59/50/782165950.db2.gz HJKDOKLDQFTZHB-OAHLLOKOSA-N 0 1 282.403 2.625 20 30 CFEDMN C=C1CCC(C(=O)N(C)C[C@@H]2CCN2CCCF)CC1 ZINC001085798056 782166512 /nfs/dbraw/zinc/16/65/12/782166512.db2.gz HJKDOKLDQFTZHB-HNNXBMFYSA-N 0 1 282.403 2.625 20 30 CFEDMN CCN(Cc1cncn1C)[C@H](C)c1ccc(C#N)cc1 ZINC000177258780 528873225 /nfs/dbraw/zinc/87/32/25/528873225.db2.gz LJXZYPSRBBEYLT-CYBMUJFWSA-N 0 1 268.364 2.875 20 30 CFEDMN COc1cc(C#N)ccc1CN1CC2(CCC2)[C@@H]2COC[C@@H]21 ZINC000459672302 536877727 /nfs/dbraw/zinc/87/77/27/536877727.db2.gz LFBWBPVSDOFUED-CVEARBPZSA-N 0 1 298.386 2.568 20 30 CFEDMN CCOc1ccc([C@@H]2CCCN2CC#CCOC)cc1 ZINC000677132900 545502304 /nfs/dbraw/zinc/50/23/04/545502304.db2.gz YHSJSQNHTFPTOC-KRWDZBQOSA-N 0 1 273.376 2.872 20 30 CFEDMN C=C(C)CN1CC[C@H]1CN(C)C(=O)[C@@H]1C[C@H]1CCC ZINC001085807140 782171352 /nfs/dbraw/zinc/17/13/52/782171352.db2.gz ZZDXHEBIORDXOO-QLFBSQMISA-N 0 1 264.413 2.531 20 30 CFEDMN C=C(C)CN1CC[C@@H]1CN(C)C(=O)C1CCC(F)CC1 ZINC001085801249 782171737 /nfs/dbraw/zinc/17/17/37/782171737.db2.gz NKBGNHLGKWFHHL-YMAMQOFZSA-N 0 1 282.403 2.624 20 30 CFEDMN C[C@@H]1CC(NC(=O)c2ccsc2C(F)F)=NO1 ZINC000935137178 649879114 /nfs/dbraw/zinc/87/91/14/649879114.db2.gz TXQQSGGKUZGKML-RXMQYKEDSA-N 0 1 260.265 2.538 20 30 CFEDMN C=C[C@H](CC)CC(=O)N1C[C@@H](C)N(CC)C[C@H]1C ZINC000935166675 649882481 /nfs/dbraw/zinc/88/24/81/649882481.db2.gz RIUQSGVDCRPISB-MGPQQGTHSA-N 0 1 252.402 2.530 20 30 CFEDMN CC(C)(C#N)CNC(=O)c1cccc2nc(C(F)F)[nH]c21 ZINC000935319961 649897458 /nfs/dbraw/zinc/89/74/58/649897458.db2.gz FVKSATGCOUDDBC-UHFFFAOYSA-N 0 1 292.289 2.780 20 30 CFEDMN C[C@H](C(=O)C(C#N)C(=O)NC1CCCCC1)c1ccco1 ZINC000744026899 574049810 /nfs/dbraw/zinc/04/98/10/574049810.db2.gz BAMNJEOBPYYDSU-AAEUAGOBSA-N 0 1 288.347 2.541 20 30 CFEDMN Cc1cc([C@@H](C#N)C(=O)[C@@H]2Cc3ccccc32)nc(C)n1 ZINC000744026467 574049856 /nfs/dbraw/zinc/04/98/56/574049856.db2.gz NOSAIMFKXPPMBK-HUUCEWRRSA-N 0 1 277.327 2.610 20 30 CFEDMN CCn1nccc1CN[C@H](C)c1ccc(OCC#N)cc1 ZINC000753850112 574051291 /nfs/dbraw/zinc/05/12/91/574051291.db2.gz ZJPUTOAPLKSBSQ-CYBMUJFWSA-N 0 1 284.363 2.656 20 30 CFEDMN N=C(N)NN=Cc1ccc(Sc2ccccc2)cc1 ZINC000753924007 574055086 /nfs/dbraw/zinc/05/50/86/574055086.db2.gz PMQPXKVFQGMCLT-UHFFFAOYSA-N 0 1 270.361 2.655 20 30 CFEDMN CC(=NNC1=N[C@@H]2CCCC[C@@H]2N1)c1cc(C)ccc1C ZINC000753937421 574056785 /nfs/dbraw/zinc/05/67/85/574056785.db2.gz XGASNHGQSNUYKD-IYBDPMFKSA-N 0 1 284.407 2.887 20 30 CFEDMN C[C@@H](C#N)Oc1ccc(C=NNc2ccccn2)cc1 ZINC000727684713 574060406 /nfs/dbraw/zinc/06/04/06/574060406.db2.gz YDWZJKNJHJOVHC-LBPRGKRZSA-N 0 1 266.304 2.818 20 30 CFEDMN CC(C)[C@H](C(=O)OCc1ccc(C#N)cc1)N1CCCC1 ZINC000741012822 574070027 /nfs/dbraw/zinc/07/00/27/574070027.db2.gz ABUVPHHBQBUMPZ-MRXNPFEDSA-N 0 1 286.375 2.722 20 30 CFEDMN Fc1cc(C=NNCCN2CCCCC2)cc(F)c1F ZINC000727970213 574075233 /nfs/dbraw/zinc/07/52/33/574075233.db2.gz UCGZNRAWMNNCSE-UHFFFAOYSA-N 0 1 285.313 2.513 20 30 CFEDMN C=C(C)C[N@H+]1CCCC[C@H]1[C@H]1CCCN1C(=O)[O-] ZINC000738485744 574089501 /nfs/dbraw/zinc/08/95/01/574089501.db2.gz QFJFPWWFFCBTHA-QWHCGFSZSA-N 0 1 252.358 2.559 20 30 CFEDMN C#CCOc1cccc(OC(=O)c2[nH]nc3c2CCCC3)c1 ZINC000730696793 574091876 /nfs/dbraw/zinc/09/18/76/574091876.db2.gz LOCBIIDIGIINSL-UHFFFAOYSA-N 0 1 296.326 2.520 20 30 CFEDMN OCC[C@@H](NCC#Cc1ccc(F)cc1)c1cccs1 ZINC000754382723 574092741 /nfs/dbraw/zinc/09/27/41/574092741.db2.gz MYWHKLXYHYTVSA-OAHLLOKOSA-N 0 1 289.375 2.952 20 30 CFEDMN C#CCC(C)(C)C(=O)N[C@H](C)c1n[nH]c([C@@H](C)CC)n1 ZINC000754419694 574095429 /nfs/dbraw/zinc/09/54/29/574095429.db2.gz IDRDJCKXPXYOGB-WDEREUQCSA-N 0 1 276.384 2.545 20 30 CFEDMN CC(=NNCCN1CCCCC1)c1ccc(F)cc1C ZINC000731314008 574116057 /nfs/dbraw/zinc/11/60/57/574116057.db2.gz VTJBIQNMYRCCHL-UHFFFAOYSA-N 0 1 277.387 2.934 20 30 CFEDMN COc1ccc(O)c(C(C)=NNc2ccc(F)cn2)c1 ZINC000731317826 574116213 /nfs/dbraw/zinc/11/62/13/574116213.db2.gz FAMZOHLILHLZCU-UHFFFAOYSA-N 0 1 275.283 2.771 20 30 CFEDMN CC(N=Nc1ccc(F)cn1)c1cc(F)ccc1O ZINC000731321894 574116524 /nfs/dbraw/zinc/11/65/24/574116524.db2.gz UHXKWYKTLUCMGI-UHFFFAOYSA-N 0 1 263.247 2.902 20 30 CFEDMN CC(=NNc1ccc(F)cn1)c1cccc(C#N)c1 ZINC000731322136 574116589 /nfs/dbraw/zinc/11/65/89/574116589.db2.gz YWNNUIADZNACEF-UHFFFAOYSA-N 0 1 254.268 2.928 20 30 CFEDMN CCOc1ccc(O)c(CN=Nc2ccc(F)cn2)c1 ZINC000731322026 574116606 /nfs/dbraw/zinc/11/66/06/574116606.db2.gz VWGWZSIOGZLOHE-UHFFFAOYSA-N 0 1 275.283 2.771 20 30 CFEDMN C=C[C@@H](CC(=O)OCc1n[nH]c(CC)n1)c1ccccc1 ZINC000754864628 574125888 /nfs/dbraw/zinc/12/58/88/574125888.db2.gz FSZCPKKSJASJRF-LBPRGKRZSA-N 0 1 285.347 2.770 20 30 CFEDMN CCC(C)(C)CC(=O)[C@H](C#N)C(=O)Nc1ccccn1 ZINC000745949412 574128859 /nfs/dbraw/zinc/12/88/59/574128859.db2.gz JNYLQCQFMLYWJR-NSHDSACASA-N 0 1 273.336 2.555 20 30 CFEDMN CC(=NNc1ccccc1S(C)(=O)=O)c1cccs1 ZINC000731933916 574135074 /nfs/dbraw/zinc/13/50/74/574135074.db2.gz QCGWPJKQXGFJHX-UHFFFAOYSA-N 0 1 294.401 2.988 20 30 CFEDMN C[N@@H+](CC1CCCC1)[C@H](C(=O)[O-])c1ccc(C#N)cc1 ZINC000737411082 574138821 /nfs/dbraw/zinc/13/88/21/574138821.db2.gz YOAZIJLZWUFGJE-HNNXBMFYSA-N 0 1 272.348 2.806 20 30 CFEDMN CC(=NNc1nc2ccccc2n1C)c1cncc(F)c1 ZINC000737430065 574140721 /nfs/dbraw/zinc/14/07/21/574140721.db2.gz JRHXBFLOTJITRY-UHFFFAOYSA-N 0 1 283.310 2.944 20 30 CFEDMN C=CC1CCN([C@@H]2CC(=O)N(c3ccc(C)cc3)C2=O)CC1 ZINC000732227291 574147694 /nfs/dbraw/zinc/14/76/94/574147694.db2.gz BFMFKFJMAQESES-MRXNPFEDSA-N 0 1 298.386 2.525 20 30 CFEDMN C#CCN(C/C=C(\C)C(=O)OC)[C@H]1CCc2ccccc21 ZINC000746503477 574152044 /nfs/dbraw/zinc/15/20/44/574152044.db2.gz RVDHIEDQYPONJG-WKOYGUFESA-N 0 1 283.371 2.728 20 30 CFEDMN COc1cc([N+](=O)[O-])ccc1NN=C(C)c1nccs1 ZINC000732622392 574163146 /nfs/dbraw/zinc/16/31/46/574163146.db2.gz RAWYPNGBEYSFOB-UHFFFAOYSA-N 0 1 292.320 2.896 20 30 CFEDMN Cc1cc(=O)nc(NN=C[C@@H]2CCc3ccccc32)[nH]1 ZINC000755463827 574163624 /nfs/dbraw/zinc/16/36/24/574163624.db2.gz MOXWUVILXLNTAS-LBPRGKRZSA-N 0 1 268.320 2.618 20 30 CFEDMN Cc1nc[nH]c1C=NNC(=S)Nc1cccc(C)c1C ZINC000755489593 574165462 /nfs/dbraw/zinc/16/54/62/574165462.db2.gz GTDBCARPSWUWHN-UHFFFAOYSA-N 0 1 287.392 2.655 20 30 CFEDMN CCCCCCCCC(=O)NCCN1CCSCC1 ZINC000732776733 574170959 /nfs/dbraw/zinc/17/09/59/574170959.db2.gz DSAYPAFLPRVHGW-UHFFFAOYSA-N 0 1 286.485 2.902 20 30 CFEDMN CN(C)c1ncc(CN=Nc2ncccc2Cl)s1 ZINC000755654422 574175685 /nfs/dbraw/zinc/17/56/85/574175685.db2.gz JNSRIWJEICQXMM-UHFFFAOYSA-N 0 1 281.772 2.704 20 30 CFEDMN Cc1cc(N)cc(C)c1C=[NH+][N-]c1cncc(Cl)n1 ZINC000752724201 574175710 /nfs/dbraw/zinc/17/57/10/574175710.db2.gz ULBHLNAVWXXLLU-UHFFFAOYSA-N 0 1 275.743 2.775 20 30 CFEDMN Cn1cc(C=NNCCN2CCCCC2)c2ccccc21 ZINC000755657946 574175856 /nfs/dbraw/zinc/17/58/56/574175856.db2.gz SPLKDLNKDSVVTI-UHFFFAOYSA-N 0 1 284.407 2.588 20 30 CFEDMN CCc1nn(C)c(CC)c1CN=Nc1ccc(F)cn1 ZINC000755706848 574179667 /nfs/dbraw/zinc/17/96/67/574179667.db2.gz OQXXJYJOCMLSCN-UHFFFAOYSA-N 0 1 275.331 2.525 20 30 CFEDMN C=CCOCC(=O)C(C#N)c1nc(C(C)C)cs1 ZINC000747198061 574187102 /nfs/dbraw/zinc/18/71/02/574187102.db2.gz SRBJGSZAXHCDFW-JTQLQIEISA-N 0 1 264.350 2.645 20 30 CFEDMN CN1CCCc2cc(C=NO[C@H]3CCCCO3)ccc21 ZINC000755824826 574190425 /nfs/dbraw/zinc/19/04/25/574190425.db2.gz SUSZPZHTXUMCGW-INIZCTEOSA-N 0 1 274.364 2.946 20 30 CFEDMN Cc1cc[nH+]c([N-]N=Cc2nccn2CC(F)(F)F)c1 ZINC000755899756 574195509 /nfs/dbraw/zinc/19/55/09/574195509.db2.gz FQNKJYHEMQWUJK-UHFFFAOYSA-N 0 1 283.257 2.595 20 30 CFEDMN Cc1cc[nH+]c([N-]N=Cc2ccc(Br)cn2)c1 ZINC000755900587 574195707 /nfs/dbraw/zinc/19/57/07/574195707.db2.gz LOFAQDVIFNNDMN-UHFFFAOYSA-N 0 1 291.152 2.994 20 30 CFEDMN Cc1ccnc(NN=Cc2ccc(Br)cn2)c1 ZINC000755900587 574195709 /nfs/dbraw/zinc/19/57/09/574195709.db2.gz LOFAQDVIFNNDMN-UHFFFAOYSA-N 0 1 291.152 2.994 20 30 CFEDMN N#CC(C(=O)[C@@H]1CC12CCCC2)c1nnc2n1CCCCC2 ZINC000747479259 574197557 /nfs/dbraw/zinc/19/75/57/574197557.db2.gz KFNZXZWBKNUHBH-STQMWFEESA-N 0 1 298.390 2.761 20 30 CFEDMN N#CC(C(=O)[C@@H]1CC12CCCC2)c1nnc2n1CCCCC2 ZINC000747479257 574197576 /nfs/dbraw/zinc/19/75/76/574197576.db2.gz KFNZXZWBKNUHBH-OLZOCXBDSA-N 0 1 298.390 2.761 20 30 CFEDMN CCCCCCNC(=O)C(C#N)C(=O)[C@@H]1CC12CCCC2 ZINC000747477905 574197595 /nfs/dbraw/zinc/19/75/95/574197595.db2.gz DDJOYFJPGVOBOI-KBPBESRZSA-N 0 1 290.407 2.972 20 30 CFEDMN CN(C)c1nc(=NN=C2CCCc3cc(F)ccc32)cc[nH]1 ZINC000747633264 574204207 /nfs/dbraw/zinc/20/42/07/574204207.db2.gz UZMPNKHEQYSNJL-UHFFFAOYSA-N 0 1 299.353 2.834 20 30 CFEDMN C=C(C)CN1C[C@H](C)N(C(=O)OC(C)(C)C)[C@@H](C)C1 ZINC000733196552 574210290 /nfs/dbraw/zinc/21/02/90/574210290.db2.gz LRMSKWVSCMCYLK-STQMWFEESA-N 0 1 268.401 2.892 20 30 CFEDMN CN(C)c1nccc(N=NCc2ccc(Cl)cc2)n1 ZINC000739412445 574212514 /nfs/dbraw/zinc/21/25/14/574212514.db2.gz ZPOYDYQEJZBNJZ-UHFFFAOYSA-N 0 1 275.743 2.642 20 30 CFEDMN FC(F)(F)c1cccc(NN=Cc2ccccn2)n1 ZINC000739421171 574213487 /nfs/dbraw/zinc/21/34/87/574213487.db2.gz FKCCJCYDIGNOCN-UHFFFAOYSA-N 0 1 266.226 2.941 20 30 CFEDMN C#CCN1CCC(C(=O)N2C[C@H](C)Cc3ccccc32)CC1 ZINC000729422613 574214606 /nfs/dbraw/zinc/21/46/06/574214606.db2.gz DJTRULWYGJMQNG-OAHLLOKOSA-N 0 1 296.414 2.557 20 30 CFEDMN N#Cc1ccc(O)c(NC(=O)[C@H]2Cc3ccccc3S2)c1 ZINC000748005570 574224256 /nfs/dbraw/zinc/22/42/56/574224256.db2.gz VXZYUKPKACPLHC-OAHLLOKOSA-N 0 1 296.351 2.919 20 30 CFEDMN C=CCc1cc(OCC)cc(C[N@H+]2CCCOCC2)c1O ZINC000748067728 574227248 /nfs/dbraw/zinc/22/72/48/574227248.db2.gz GFBCXQYYRYBIRZ-UHFFFAOYSA-N 0 1 291.391 2.742 20 30 CFEDMN CC(=NNc1ccc(C)nn1)c1cc(F)ccc1F ZINC000729936503 574239082 /nfs/dbraw/zinc/23/90/82/574239082.db2.gz STAQIHPXIIQRST-UHFFFAOYSA-N 0 1 262.263 2.899 20 30 CFEDMN C#CCN1CCC[C@@H]1COC(=O)Cc1cc2ccccc2o1 ZINC000756543374 574244761 /nfs/dbraw/zinc/24/47/61/574244761.db2.gz MMJIPDXAJUXSKG-OAHLLOKOSA-N 0 1 297.354 2.616 20 30 CFEDMN C#CCN1CCC[C@@H]1COC(=O)c1ccccc1Cl ZINC000756543978 574245788 /nfs/dbraw/zinc/24/57/88/574245788.db2.gz SSPFVBZCIAVZTI-GFCCVEGCSA-N 0 1 277.751 2.594 20 30 CFEDMN C#CCN1CCC[C@H]1COC(=O)[C@H]1CCCc2ccccc21 ZINC000756544892 574245855 /nfs/dbraw/zinc/24/58/55/574245855.db2.gz SFFZTPDMXCNZGW-WMZOPIPTSA-N 0 1 297.398 2.747 20 30 CFEDMN C#CCN1CCC[C@@H]1COC(=O)[C@H](C)c1cccc(F)c1 ZINC000756556782 574247011 /nfs/dbraw/zinc/24/70/11/574247011.db2.gz XJVZQBKJTFHDOF-CZUORRHYSA-N 0 1 289.350 2.570 20 30 CFEDMN C#CCN1CCC[C@H]1COC(=O)[C@@H](C)c1cccc(F)c1 ZINC000756556772 574247339 /nfs/dbraw/zinc/24/73/39/574247339.db2.gz XJVZQBKJTFHDOF-BBRMVZONSA-N 0 1 289.350 2.570 20 30 CFEDMN CCc1cccc(OCC(=O)Nc2cc(C#N)ccc2O)c1 ZINC000748410629 574251355 /nfs/dbraw/zinc/25/13/55/574251355.db2.gz NVGYUJXRBHEWSK-UHFFFAOYSA-N 0 1 296.326 2.844 20 30 CFEDMN CC[NH+](CC)Cc1cc(C(C)=NNCC(F)F)ccc1[O-] ZINC000740615815 574257959 /nfs/dbraw/zinc/25/79/59/574257959.db2.gz CHIQAGVVCRUQGD-UHFFFAOYSA-N 0 1 299.365 2.813 20 30 CFEDMN C=C(C)[C@H](CC(=O)Nc1cc(C#N)ccc1O)OCC ZINC000756787229 574262747 /nfs/dbraw/zinc/26/27/47/574262747.db2.gz HUIZTLQRYOPTRG-AWEZNQCLSA-N 0 1 274.320 2.574 20 30 CFEDMN COc1ccc(CN=Nc2ccncc2Cl)cc1 ZINC000756842528 574267383 /nfs/dbraw/zinc/26/73/83/574267383.db2.gz UERDHFBHSRRXLK-UHFFFAOYSA-N 0 1 261.712 2.612 20 30 CFEDMN C#CCN(CC(=O)N[C@@H]1CCC[C@H](C)[C@@H]1C)C1CCCC1 ZINC000756911564 574272540 /nfs/dbraw/zinc/27/25/40/574272540.db2.gz VKBLOMYZTOOVJB-YQQAZPJKSA-N 0 1 290.451 2.805 20 30 CFEDMN CC(C)[C@@H](C(=O)OCCCCC#N)N1CCCCC1 ZINC000741010353 574277719 /nfs/dbraw/zinc/27/77/19/574277719.db2.gz DZXBAPZGDLBFFY-AWEZNQCLSA-N 0 1 266.385 2.734 20 30 CFEDMN CC(C)[C@H](C(=O)OCCCCC#N)N1CCCCC1 ZINC000741010354 574277867 /nfs/dbraw/zinc/27/78/67/574277867.db2.gz DZXBAPZGDLBFFY-CQSZACIVSA-N 0 1 266.385 2.734 20 30 CFEDMN CCC[C@H](C)CC(=O)[C@H](C#N)C(=O)NC1CCCCC1 ZINC000749048858 574277980 /nfs/dbraw/zinc/27/79/80/574277980.db2.gz PPGUXWLPDCTJAB-JSGCOSHPSA-N 0 1 278.396 2.970 20 30 CFEDMN C[C@H](C(=O)OCc1ccccc1C#N)N1[C@H](C)CC[C@H]1C ZINC000741019267 574278291 /nfs/dbraw/zinc/27/82/91/574278291.db2.gz VMFQLIZTTINTDR-MGPQQGTHSA-N 0 1 286.375 2.863 20 30 CFEDMN CC(=NNc1ccc(-n2cccn2)nn1)c1ccsc1 ZINC000749103989 574279851 /nfs/dbraw/zinc/27/98/51/574279851.db2.gz HEZVKZVDJYKDTR-UHFFFAOYSA-N 0 1 284.348 2.560 20 30 CFEDMN C=CCCC(=O)Nc1ccc(CN(C)C)c(F)c1 ZINC000749248875 574286771 /nfs/dbraw/zinc/28/67/71/574286771.db2.gz WFLKUPREWXXVNZ-UHFFFAOYSA-N 0 1 250.317 2.792 20 30 CFEDMN C=C(C)CN(CC)C(=O)NCc1n[nH]c(-c2ccccc2)n1 ZINC000741410343 574289210 /nfs/dbraw/zinc/28/92/10/574289210.db2.gz JXBCYMKIDONJKN-UHFFFAOYSA-N 0 1 299.378 2.579 20 30 CFEDMN C=C(C)CN(CC)C(=O)NCc1nc(-c2ccccc2)n[nH]1 ZINC000741410343 574289211 /nfs/dbraw/zinc/28/92/11/574289211.db2.gz JXBCYMKIDONJKN-UHFFFAOYSA-N 0 1 299.378 2.579 20 30 CFEDMN C=C(Cl)CN1CCC(CCC(=O)OCC)CC1 ZINC000749552880 574300393 /nfs/dbraw/zinc/30/03/93/574300393.db2.gz YEWODRJGSJTPMA-UHFFFAOYSA-N 0 1 259.777 2.794 20 30 CFEDMN Fc1ccc(F)c2c1CCC2=NNCCN1CCCCC1 ZINC000749611393 574302252 /nfs/dbraw/zinc/30/22/52/574302252.db2.gz BMPHFLVGHWSESZ-UHFFFAOYSA-N 0 1 293.361 2.691 20 30 CFEDMN Cc1ncc2c(n1)CCC[C@@H]2NCc1ccc(C#N)cc1 ZINC000734852563 574304712 /nfs/dbraw/zinc/30/47/12/574304712.db2.gz WIKVOINBBKLLKD-INIZCTEOSA-N 0 1 278.359 2.824 20 30 CFEDMN C=CCCC[N@@H+](CC=C)Cc1cccc(-c2nn[nH]n2)c1 ZINC000735413683 574322509 /nfs/dbraw/zinc/32/25/09/574322509.db2.gz XHKIJNAFXXRBSS-UHFFFAOYSA-N 0 1 283.379 2.821 20 30 CFEDMN O=c1c2ccccc2[nH]c(=S)n1N=Cc1cccs1 ZINC000725858290 574334397 /nfs/dbraw/zinc/33/43/97/574334397.db2.gz IUVDIRWUVKKHLY-UHFFFAOYSA-N 0 1 287.369 2.629 20 30 CFEDMN Cc1cccc2nc([C@H](C#N)C(=O)CC3CC3)[nH]c21 ZINC000735791444 574335619 /nfs/dbraw/zinc/33/56/19/574335619.db2.gz YRJPVZCAHNUBMV-LLVKDONJSA-N 0 1 253.305 2.848 20 30 CFEDMN C[C@H](C#N)C[N@H+](C)[C@H](C(=O)[O-])c1cccc(Cl)c1 ZINC000736203911 574354375 /nfs/dbraw/zinc/35/43/75/574354375.db2.gz WKJVYHMMYQMGRR-SKDRFNHKSA-N 0 1 266.728 2.557 20 30 CFEDMN C[C@H](C#N)C[N@@H+](C)[C@H](C(=O)[O-])c1cccc(Cl)c1 ZINC000736203911 574354376 /nfs/dbraw/zinc/35/43/76/574354376.db2.gz WKJVYHMMYQMGRR-SKDRFNHKSA-N 0 1 266.728 2.557 20 30 CFEDMN CC(C)=C(C)C(=O)OCC(=O)[C@@H](C#N)c1nc(C)cs1 ZINC000750940864 574364212 /nfs/dbraw/zinc/36/42/12/574364212.db2.gz MGAWIPQSYBQDAS-LLVKDONJSA-N 0 1 292.360 2.527 20 30 CFEDMN CC(C)=C(C)C(=O)OCC(=O)C(C#N)c1nc(C)cs1 ZINC000750940864 574364215 /nfs/dbraw/zinc/36/42/15/574364215.db2.gz MGAWIPQSYBQDAS-LLVKDONJSA-N 0 1 292.360 2.527 20 30 CFEDMN Clc1ccc(NN=Cc2cc(-c3cccnc3)[nH]n2)cn1 ZINC000743452141 574365353 /nfs/dbraw/zinc/36/53/53/574365353.db2.gz RIYCBMAQOFVBGI-UHFFFAOYSA-N 0 1 298.737 2.966 20 30 CFEDMN C[C@@H]1CN(C)CC1N=Nc1ccc([N+](=O)[O-])cc1Cl ZINC000752165334 574388707 /nfs/dbraw/zinc/38/87/07/574388707.db2.gz QEKMUYYWKGMLME-MRVPVSSYSA-N 0 1 282.731 2.598 20 30 CFEDMN C[C@@H]1CN(C)CC1N=Nc1ccc(Cl)cc1[N+](=O)[O-] ZINC000752165022 574388756 /nfs/dbraw/zinc/38/87/56/574388756.db2.gz SBSQQIMSZNUOMK-MRVPVSSYSA-N 0 1 282.731 2.598 20 30 CFEDMN CN1CCc2cc(C=[NH+][N-]c3cncc(Cl)n3)ccc21 ZINC000752722578 574393840 /nfs/dbraw/zinc/39/38/40/574393840.db2.gz CGFRODIWBRJJQX-UHFFFAOYSA-N 0 1 287.754 2.568 20 30 CFEDMN COC(=O)c1cc(CN=Nc2cc(F)c(F)cc2F)c[nH]1 ZINC000753167090 574399749 /nfs/dbraw/zinc/39/97/49/574399749.db2.gz VHWTVIGKEFLFEH-UHFFFAOYSA-N 0 1 297.236 2.665 20 30 CFEDMN C#C[C@H](CC)NCc1ccc(Cl)cc1[N+](=O)[O-] ZINC000229967020 618650376 /nfs/dbraw/zinc/65/03/76/618650376.db2.gz VWURWDKYRSWXDG-LLVKDONJSA-N 0 1 252.701 2.750 20 30 CFEDMN N#Cc1ccc([C@H](C(=O)[O-])[N@H+]2CCC3(CCCC3)C2)cc1 ZINC000833072099 601040287 /nfs/dbraw/zinc/04/02/87/601040287.db2.gz OKFUIOFLVBRPEA-OAHLLOKOSA-N 0 1 284.359 2.950 20 30 CFEDMN CC[N@@H+](C/C=C(/C)C(=O)[O-])[C@@H](C)c1ccc(C#N)cc1 ZINC000829692645 601052109 /nfs/dbraw/zinc/05/21/09/601052109.db2.gz MQBGNNUTTFTZCM-SUIFULHWSA-N 0 1 272.348 2.972 20 30 CFEDMN CCC(CC)C[N@H+](C/C=C(\C)C(=O)[O-])CCC#N ZINC000828858914 601176769 /nfs/dbraw/zinc/17/67/69/601176769.db2.gz GIILNYBNRASXLO-KPKJPENVSA-N 0 1 252.358 2.669 20 30 CFEDMN C[N@@H+](Cc1ccccc1O)[C@H](C(=O)[O-])c1cccc(C#N)c1 ZINC000830860209 601316749 /nfs/dbraw/zinc/31/67/49/601316749.db2.gz ONCKSXBEXAEWNB-INIZCTEOSA-N 0 1 296.326 2.522 20 30 CFEDMN CC[C@H](C)C[N@@H+](C)[C@@H](C(=O)[O-])c1cccc(C#N)c1 ZINC000828747250 601317807 /nfs/dbraw/zinc/31/78/07/601317807.db2.gz MKZCXQREEZJJFE-SMDDNHRTSA-N 0 1 260.337 2.662 20 30 CFEDMN C=CCCC[N@H+](C)[C@H](C(=O)[O-])c1cccc(C#N)c1 ZINC000825671605 601318501 /nfs/dbraw/zinc/31/85/01/601318501.db2.gz WTUBISDBWPCYKO-AWEZNQCLSA-N 0 1 258.321 2.582 20 30 CFEDMN CC[N@H+](CC#Cc1ccc(C(F)(F)F)cc1)CCC(=O)[O-] ZINC000829618814 601414346 /nfs/dbraw/zinc/41/43/46/601414346.db2.gz IZTVEINFTSVPDN-UHFFFAOYSA-N 0 1 299.292 2.854 20 30 CFEDMN C[C@H](C[N@@H+](C)CC#Cc1ccc(C(F)(F)F)cc1)C(=O)[O-] ZINC000827443030 601419648 /nfs/dbraw/zinc/41/96/48/601419648.db2.gz VWIQKHKWUQYTNM-LLVKDONJSA-N 0 1 299.292 2.709 20 30 CFEDMN C=CCN1CCC[C@@H](NC(=O)[C@@H]2CCCCC2(F)F)C1 ZINC001008066999 651142278 /nfs/dbraw/zinc/14/22/78/651142278.db2.gz RNOWCFCQRMOXOE-OLZOCXBDSA-N 0 1 286.366 2.579 20 30 CFEDMN CCCCCCC[N@H+]1CCSC[C@@H]1CC(=O)[O-] ZINC000118004246 601893465 /nfs/dbraw/zinc/89/34/65/601893465.db2.gz HLFRYLUXCFDAHK-LBPRGKRZSA-N 0 1 259.415 2.849 20 30 CFEDMN C=C[C@H]1CCCCN1C(=O)c1cc(F)cc(F)c1O ZINC000935696945 649930183 /nfs/dbraw/zinc/93/01/83/649930183.db2.gz IFKIATZBHLOFHI-JTQLQIEISA-N 0 1 267.275 2.851 20 30 CFEDMN CC[C@]1(C)CC[N@H+]([C@H](C(=O)[O-])c2cccc(C#N)c2)C1 ZINC000829051016 602239651 /nfs/dbraw/zinc/23/96/51/602239651.db2.gz ZCIWUKBFHFDJAR-GOEBONIOSA-N 0 1 272.348 2.806 20 30 CFEDMN CC(C)CC[N@@H+](CCC#N)C[C@@H]1CCCN(C(=O)[O-])C1 ZINC000824238179 603567812 /nfs/dbraw/zinc/56/78/12/603567812.db2.gz BIIAIKVJYUWRKH-AWEZNQCLSA-N 0 1 281.400 2.638 20 30 CFEDMN CCC(CC)C[N@@H+](CCC#N)C[C@@H]1CCN(C(=O)[O-])C1 ZINC000826571688 603568882 /nfs/dbraw/zinc/56/88/82/603568882.db2.gz LLFJIYKKZUGKHH-AWEZNQCLSA-N 0 1 281.400 2.638 20 30 CFEDMN C[C@H]1CCC[N@@H+](CCCC(C)(C)C#N)[C@@H]1CNC(=O)[O-] ZINC000825926066 603721136 /nfs/dbraw/zinc/72/11/36/603721136.db2.gz UMKXIFNHKYPNIS-QWHCGFSZSA-N 0 1 281.400 2.684 20 30 CFEDMN CC(C)[C@@H](CC[N@@H+](C)Cc1cccc(C#N)c1)NC(=O)[O-] ZINC000824105228 603822958 /nfs/dbraw/zinc/82/29/58/603822958.db2.gz QIBDWMLUKJMDRK-OAHLLOKOSA-N 0 1 289.379 2.672 20 30 CFEDMN C=CCN1CCC[C@@H](NC(=O)[C@@H]2CCC(C)(C)C2)C1 ZINC001008447222 651148613 /nfs/dbraw/zinc/14/86/13/651148613.db2.gz HZSJEJZEXHSYAK-ZIAGYGMSSA-N 0 1 264.413 2.579 20 30 CFEDMN C/C(=C/C[N@@H+]1CC=C(c2ccc(C#N)cc2)CC1)C(=O)[O-] ZINC000833383493 604491111 /nfs/dbraw/zinc/49/11/11/604491111.db2.gz NZZHNMUGSZWRLL-MLPAPPSSSA-N 0 1 282.343 2.678 20 30 CFEDMN CC(C)(C#N)c1ccccc1C[N@@H+](CC(=O)[O-])C1CC1 ZINC000826081365 604674201 /nfs/dbraw/zinc/67/42/01/604674201.db2.gz QCNBOYJVDLVNPM-UHFFFAOYSA-N 0 1 272.348 2.537 20 30 CFEDMN CC(C)(C#N)CC[N@H+]1[C@@H]2CCCC[C@H]2C[C@H]1C(=O)[O-] ZINC000250359977 604994509 /nfs/dbraw/zinc/99/45/09/604994509.db2.gz FLLIRYRAOQKIPA-XQQFMLRXSA-N 0 1 264.369 2.644 20 30 CFEDMN C=C(C)C[N@H+](C)[C@@H](C)C(=O)Nc1cc(C(=O)[O-])ccc1C ZINC000833368659 605390263 /nfs/dbraw/zinc/39/02/63/605390263.db2.gz OXJZMFUZBNHLMK-LBPRGKRZSA-N 0 1 290.363 2.528 20 30 CFEDMN C#Cc1cccc(N(C)C(=O)[C@@H]2C[C@H](C)Cc3cn[nH]c32)c1 ZINC000900563297 620688807 /nfs/dbraw/zinc/68/88/07/620688807.db2.gz RWLWVJZHIFYIQF-MLGOLLRUSA-N 0 1 293.370 2.720 20 30 CFEDMN C#CCOc1ccc(C[N@@H+]2CCCCC[C@H]2C(=O)[O-])cc1 ZINC000833367107 605928174 /nfs/dbraw/zinc/92/81/74/605928174.db2.gz PFFPADHYRQOTFM-INIZCTEOSA-N 0 1 287.359 2.528 20 30 CFEDMN C#CCCN1CCCN(C(=O)c2occc2C(C)C)CC1 ZINC000981813903 613006813 /nfs/dbraw/zinc/00/68/13/613006813.db2.gz SXWDLRXNHPGPNN-UHFFFAOYSA-N 0 1 288.391 2.574 20 30 CFEDMN C#CCCN1CCCN(C(=O)c2sccc2Cl)CC1 ZINC000981219485 613007384 /nfs/dbraw/zinc/00/73/84/613007384.db2.gz MRJJJJKFZCJCMA-UHFFFAOYSA-N 0 1 296.823 2.573 20 30 CFEDMN C#CCN1CCCCC[C@@H]1CNC(=O)C1CCC=CCC1 ZINC000969144921 613145549 /nfs/dbraw/zinc/14/55/49/613145549.db2.gz WURFASFCXIGLBJ-QGZVFWFLSA-N 0 1 288.435 2.727 20 30 CFEDMN C#CCN1CCCCC[C@@H]1CNC(=O)c1ccccc1CC ZINC000969002047 613146548 /nfs/dbraw/zinc/14/65/48/613146548.db2.gz JCIKBCMWHQFONH-QGZVFWFLSA-N 0 1 298.430 2.857 20 30 CFEDMN C#CCN1CCCCC[C@@H]1CNC(=O)c1ccc(C)cc1C ZINC000969137411 613146700 /nfs/dbraw/zinc/14/67/00/613146700.db2.gz ZLMMNGMJJCUCSF-QGZVFWFLSA-N 0 1 298.430 2.911 20 30 CFEDMN C#CCN1CCCCC[C@@H]1CNC(=O)c1ccc(Cl)o1 ZINC000968756255 613147061 /nfs/dbraw/zinc/14/70/61/613147061.db2.gz QANPKODBJUNZRV-GFCCVEGCSA-N 0 1 294.782 2.541 20 30 CFEDMN C#CCN1CCCCC[C@@H]1CNC(=O)c1occc1Cl ZINC000969013708 613148172 /nfs/dbraw/zinc/14/81/72/613148172.db2.gz DZKHMARQKULSKY-GFCCVEGCSA-N 0 1 294.782 2.541 20 30 CFEDMN C#CCN1CC[C@@H](NC(=O)[C@@H](C)C2CCCC2)C(C)(C)C1 ZINC000941158664 613229037 /nfs/dbraw/zinc/22/90/37/613229037.db2.gz SBZCTHXBHCONLB-GOEBONIOSA-N 0 1 290.451 2.663 20 30 CFEDMN C#CCN1CC[C@@H](NC(=O)c2cscc2C)C(C)(C)C1 ZINC000940658709 613243156 /nfs/dbraw/zinc/24/31/56/613243156.db2.gz QOKPMDXOVATPGV-CQSZACIVSA-N 0 1 290.432 2.520 20 30 CFEDMN C=C(C)CCN1CC(N(CC)C(=O)[C@@H]2CC23CCC3)C1 ZINC000952375203 613245129 /nfs/dbraw/zinc/24/51/29/613245129.db2.gz KIVAWFCBJWTHGU-HNNXBMFYSA-N 0 1 276.424 2.676 20 30 CFEDMN C=C(C)CCN1CC(N(CC)C(=O)[C@H]2C[C@@]2(C)CC)C1 ZINC000957067469 613246194 /nfs/dbraw/zinc/24/61/94/613246194.db2.gz LOKKECUBHZWQPW-NVXWUHKLSA-N 0 1 278.440 2.922 20 30 CFEDMN C=C(C)CCN1CC(N(CC)C(=O)[C@H]2C[C@H]2C(C)C)C1 ZINC000957059949 613246280 /nfs/dbraw/zinc/24/62/80/613246280.db2.gz WVCSVLXSFUAUSB-HOTGVXAUSA-N 0 1 278.440 2.777 20 30 CFEDMN C=C(C)CCN1CCN(C(=O)CC(C2CC2)C2CC2)CC1 ZINC000957790375 613256880 /nfs/dbraw/zinc/25/68/80/613256880.db2.gz SWWBZPVWQATOMR-UHFFFAOYSA-N 0 1 290.451 2.923 20 30 CFEDMN C=C(C)CCN1CCN(C(=O)C(C)(CC)CC)CC1 ZINC000957707236 613257236 /nfs/dbraw/zinc/25/72/36/613257236.db2.gz ZFXUAXOCCBZPHW-UHFFFAOYSA-N 0 1 266.429 2.923 20 30 CFEDMN C=C(C)CCN1CCN(C(=O)[C@H]2CC[C@H](C)CC2)CC1 ZINC000957398618 613259125 /nfs/dbraw/zinc/25/91/25/613259125.db2.gz ZKFCOUUKJMOBLE-WKILWMFISA-N 0 1 278.440 2.923 20 30 CFEDMN C#CCN1CC[C@H](NC(=O)c2cccc(C)c2C)C(C)(C)C1 ZINC000941192823 613269792 /nfs/dbraw/zinc/26/97/92/613269792.db2.gz AATLWYZKCXSLKZ-KRWDZBQOSA-N 0 1 298.430 2.767 20 30 CFEDMN C#CCN1CC[C@H](NC(=O)c2sccc2Cl)C[C@@H]1C ZINC000947327835 613279040 /nfs/dbraw/zinc/27/90/40/613279040.db2.gz JUJHKGDXBCGPQU-QWRGUYRKSA-N 0 1 296.823 2.617 20 30 CFEDMN C#CCN1C[C@@H](NC(=O)[C@H]2CCC(C)=C(C)C2)C(C)(C)C1 ZINC000974641989 613282340 /nfs/dbraw/zinc/28/23/40/613282340.db2.gz XZEYMDJQDMGGCF-JKSUJKDBSA-N 0 1 288.435 2.583 20 30 CFEDMN C=C(C)CN1CC([C@@H](C)NC(=O)c2cc(C)c(CC)o2)C1 ZINC000970722903 613299850 /nfs/dbraw/zinc/29/98/50/613299850.db2.gz SFIKYUKBIPGWQF-CYBMUJFWSA-N 0 1 290.407 2.777 20 30 CFEDMN C=C(C)CN1CC([C@H](C)NC(=O)c2ccc(F)s2)C1 ZINC000970962338 613303264 /nfs/dbraw/zinc/30/32/64/613303264.db2.gz PNGQDSRYIKRKKB-JTQLQIEISA-N 0 1 282.384 2.513 20 30 CFEDMN C=C(C)CN1CCCN(C(=O)[C@@H]2CCCC[C@H]2C)CC1 ZINC000981844938 613309402 /nfs/dbraw/zinc/30/94/02/613309402.db2.gz HURJNTCFGDMZHY-HZPDHXFCSA-N 0 1 278.440 2.923 20 30 CFEDMN C=C(C)CN1CCCN(C(=O)[C@]2(C)C[C@H]3C[C@H]3C2)CC1 ZINC000981679846 613310302 /nfs/dbraw/zinc/31/03/02/613310302.db2.gz UXNUDYNLAPIGIH-SCAQPMJSSA-N 0 1 276.424 2.533 20 30 CFEDMN C=C(C)CN1CCCN(C(=O)[C@H](C)c2ccsc2)CC1 ZINC000981941444 613310573 /nfs/dbraw/zinc/31/05/73/613310573.db2.gz QEJPEMKSNGRFSB-CQSZACIVSA-N 0 1 292.448 2.962 20 30 CFEDMN C=C(C)CN1CCCN(C(=O)[C@]2(C)CC=CCC2)CC1 ZINC000981235629 613311459 /nfs/dbraw/zinc/31/14/59/613311459.db2.gz NDUSQEUZMUNZDU-QGZVFWFLSA-N 0 1 276.424 2.843 20 30 CFEDMN C=C(C)CN1CCCN(C(=O)c2cc(C)cc(F)c2)CC1 ZINC000982014970 613311791 /nfs/dbraw/zinc/31/17/91/613311791.db2.gz RERCOSNPZHEFHG-UHFFFAOYSA-N 0 1 290.382 2.858 20 30 CFEDMN C=C(C)CN1CCCN(C(=O)c2cccc3[nH]ccc32)CC1 ZINC000982015020 613312530 /nfs/dbraw/zinc/31/25/30/613312530.db2.gz SYHRLIBOGYTLKY-UHFFFAOYSA-N 0 1 297.402 2.892 20 30 CFEDMN C=C(C)CN1CC[C@@H](C)[C@H](NC(=O)c2ccsc2)C1 ZINC000964934817 613326133 /nfs/dbraw/zinc/32/61/33/613326133.db2.gz LALMSYCAXJXHJF-TZMCWYRMSA-N 0 1 278.421 2.764 20 30 CFEDMN C=C(C)CN1CC[C@H](C)[C@H](NC(=O)c2ccc(CC)o2)C1 ZINC000966971989 613334305 /nfs/dbraw/zinc/33/43/05/613334305.db2.gz BELVXOVGSNCDLC-DZGCQCFKSA-N 0 1 290.407 2.858 20 30 CFEDMN C=C(C)CN1CC[C@H](C)[C@H](NC(=O)c2cocc2C)C1 ZINC000967707787 613334469 /nfs/dbraw/zinc/33/44/69/613334469.db2.gz LXLXIGBKQGHDLM-SWLSCSKDSA-N 0 1 276.380 2.604 20 30 CFEDMN C=C(C)CN1C[C@@H](NC(=O)c2ccoc2C)C(C)(C)C1 ZINC000972794356 613338363 /nfs/dbraw/zinc/33/83/63/613338363.db2.gz OEVKECNBEWJLNV-CQSZACIVSA-N 0 1 276.380 2.604 20 30 CFEDMN C=C(Cl)CN1CC[C@H]([C@@H]2CCCN(C(=O)C(C)C)C2)C1 ZINC000961135137 613379755 /nfs/dbraw/zinc/37/97/55/613379755.db2.gz IXOSDPADACMOMU-CABCVRRESA-N 0 1 298.858 2.955 20 30 CFEDMN C=C(Cl)CN[C@@H]1CCN(C(=O)[C@H]2CCC(C)(C)C2)C1 ZINC000969866880 613385238 /nfs/dbraw/zinc/38/52/38/613385238.db2.gz DPOBBUVKRUWZDI-QWHCGFSZSA-N 0 1 284.831 2.756 20 30 CFEDMN C=C(Cl)CN[C@@H]1CCN(C(=O)[C@H]2CCCC3(CC3)C2)C1 ZINC000968656488 613385452 /nfs/dbraw/zinc/38/54/52/613385452.db2.gz UQQCONZYNJIQSO-UONOGXRCSA-N 0 1 296.842 2.900 20 30 CFEDMN C=C(Cl)CN[C@@H]1CCN(C(=O)c2cc[nH]c2CCC)C1 ZINC000969665419 613385544 /nfs/dbraw/zinc/38/55/44/613385544.db2.gz QGYZNTJJMCCDIT-GFCCVEGCSA-N 0 1 295.814 2.524 20 30 CFEDMN C=C(Cl)CN[C@@H]1CCN(C(=O)c2cc(C)sc2C)C1 ZINC000969232517 613385550 /nfs/dbraw/zinc/38/55/50/613385550.db2.gz TVJGGTNNEUOQIP-GFCCVEGCSA-N 0 1 298.839 2.922 20 30 CFEDMN C=C(Cl)CN[C@H]1CN(C(=O)c2ccc(C)cc2)C[C@H]1C ZINC000939602742 613387074 /nfs/dbraw/zinc/38/70/74/613387074.db2.gz PEJRRRPJNAALIV-DOMZBBRYSA-N 0 1 292.810 2.798 20 30 CFEDMN C=C1CCC(C(=O)N2CC[C@@H](NCc3ccccn3)C2)CC1 ZINC000969830037 613406074 /nfs/dbraw/zinc/40/60/74/613406074.db2.gz DLXVCBYGAUFPHZ-QGZVFWFLSA-N 0 1 299.418 2.519 20 30 CFEDMN C=C1CCC(C(=O)N[C@@H]2[C@H]3CN(C[C@@H](F)CC)C[C@H]32)CC1 ZINC000961683716 613413580 /nfs/dbraw/zinc/41/35/80/613413580.db2.gz AFXUDAIWNYPWHY-CAOSSQGBSA-N 0 1 294.414 2.527 20 30 CFEDMN C=CC(C)(C)C(=O)N1CC2(C1)CCCN(C[C@@H](F)CC)C2 ZINC000981936870 613429523 /nfs/dbraw/zinc/42/95/23/613429523.db2.gz CXQRSALMTOYABD-AWEZNQCLSA-N 0 1 296.430 2.871 20 30 CFEDMN C=CCCN1CCN(C(=O)C2(c3cccc(C)c3)CC2)CC1 ZINC000957786452 613502423 /nfs/dbraw/zinc/50/24/23/613502423.db2.gz UORIGXWVHQOBDL-UHFFFAOYSA-N 0 1 298.430 2.747 20 30 CFEDMN C=CCCN1CCN(C(=O)C2CCC(C)(C)CC2)CC1 ZINC000957829331 613502460 /nfs/dbraw/zinc/50/24/60/613502460.db2.gz DIRMHMCZQBYWGP-UHFFFAOYSA-N 0 1 278.440 2.923 20 30 CFEDMN C=CCCN1CCN(C(=O)CCc2cccc(C)c2)CC1 ZINC000949523568 613503152 /nfs/dbraw/zinc/50/31/52/613503152.db2.gz ZQUTXFGFUMJFQT-UHFFFAOYSA-N 0 1 286.419 2.648 20 30 CFEDMN C=CCCN1CCN(C(=O)C[C@H]2CCCC2(F)F)CC1 ZINC000949859641 613504779 /nfs/dbraw/zinc/50/47/79/613504779.db2.gz WOGKTYQQOFPODR-CYBMUJFWSA-N 0 1 286.366 2.532 20 30 CFEDMN C=CCCN1CCN(C(=O)[C@@H](C)CC2CCCC2)CC1 ZINC000951169259 613505140 /nfs/dbraw/zinc/50/51/40/613505140.db2.gz HBXFDIOAABEHOP-HNNXBMFYSA-N 0 1 278.440 2.923 20 30 CFEDMN C=CCCN1CCN(C(=O)[C@@H](C=C)c2ccccc2)CC1 ZINC000957743890 613505504 /nfs/dbraw/zinc/50/55/04/613505504.db2.gz BOMVJHFQQMMYFF-KRWDZBQOSA-N 0 1 284.403 2.677 20 30 CFEDMN C=CCCN1CCN(C(=O)[C@H]2CC[C@H](CC)CC2)CC1 ZINC000957395885 613506065 /nfs/dbraw/zinc/50/60/65/613506065.db2.gz DEQDFJKDSZROAK-WKILWMFISA-N 0 1 278.440 2.923 20 30 CFEDMN C=CCCN1CCN(C(=O)[C@H](C)c2cc(C)oc2C)CC1 ZINC000951769020 613507408 /nfs/dbraw/zinc/50/74/08/613507408.db2.gz MQRIUAYSEXMCLI-CQSZACIVSA-N 0 1 290.407 2.720 20 30 CFEDMN C=CCCN1CCN(C(=O)[C@@H]2CC[C@@H]3C[C@@H]3CC2)CC1 ZINC000949416815 613508372 /nfs/dbraw/zinc/50/83/72/613508372.db2.gz GVYNYQZIXGEVTB-PHZGNYQRSA-N 0 1 276.424 2.533 20 30 CFEDMN C=CCCN1CCN(C(=O)c2c[nH]c3ccccc23)CC1 ZINC000949142950 613509533 /nfs/dbraw/zinc/50/95/33/613509533.db2.gz FKHIMTFZOBUVRI-UHFFFAOYSA-N 0 1 283.375 2.502 20 30 CFEDMN C=CCCN1CCN(C(=O)c2ccc(C)c(C)c2)CC1 ZINC000957530875 613510235 /nfs/dbraw/zinc/51/02/35/613510235.db2.gz UBAIMOCTDTUPOP-UHFFFAOYSA-N 0 1 272.392 2.637 20 30 CFEDMN C=CCCN1CCN(C(=O)c2cc3ccc(C)cc3[nH]2)CC1 ZINC000949532568 613510380 /nfs/dbraw/zinc/51/03/80/613510380.db2.gz SIKVVHDCVTYGQD-UHFFFAOYSA-N 0 1 297.402 2.810 20 30 CFEDMN C=CCCN1CCN(C(=O)c2ccc3c(c2)C=CCC3)CC1 ZINC000951702939 613510851 /nfs/dbraw/zinc/51/08/51/613510851.db2.gz GPVFAFZGKGUMLC-UHFFFAOYSA-N 0 1 296.414 2.980 20 30 CFEDMN CC#CCN1CCCC2(CN(C(=O)C3CCCCC3)C2)C1 ZINC000981592996 613541536 /nfs/dbraw/zinc/54/15/36/613541536.db2.gz NFCQTWBJSNVNBA-UHFFFAOYSA-N 0 1 288.435 2.514 20 30 CFEDMN CC#CCN1C[C@H](NC(=O)c2ccc(C)cc2C)C(C)(C)C1 ZINC000977565158 613623051 /nfs/dbraw/zinc/62/30/51/613623051.db2.gz VQKSPEVKJSKBAM-KRWDZBQOSA-N 0 1 298.430 2.767 20 30 CFEDMN C=CCN1CC([C@@H](C)NC(=O)C23CCC(CC2)CC3)C1 ZINC000970911194 613661422 /nfs/dbraw/zinc/66/14/22/613661422.db2.gz SQFMZESHGDWTDR-TUBUQKNSSA-N 0 1 276.424 2.579 20 30 CFEDMN C=CCN1CC([C@@H](C)NC(=O)c2c[nH]c3ccc(C)cc23)C1 ZINC000970939148 613663906 /nfs/dbraw/zinc/66/39/06/613663906.db2.gz UYDWNBIJCNETSZ-CYBMUJFWSA-N 0 1 297.402 2.712 20 30 CFEDMN C=CCN1CC([C@@H](C)NC(=O)c2ccc3c(c2)CCCC3)C1 ZINC000970843741 613665416 /nfs/dbraw/zinc/66/54/16/613665416.db2.gz VQAZUWZJHWGFBU-CQSZACIVSA-N 0 1 298.430 2.802 20 30 CFEDMN C=CCN1CC([C@@H](C)NC(=O)c2ccc3c(c2)C=CCC3)C1 ZINC000970571308 613665529 /nfs/dbraw/zinc/66/55/29/613665529.db2.gz JGCYZYZZASDHME-CQSZACIVSA-N 0 1 296.414 2.882 20 30 CFEDMN C=CCN1CC([C@H](C)NC(=O)c2c(C)cc(F)cc2C)C1 ZINC000970262730 613670123 /nfs/dbraw/zinc/67/01/23/613670123.db2.gz UKDBBSLXHQDESW-ZDUSSCGKSA-N 0 1 290.382 2.679 20 30 CFEDMN C=CCN1CC([C@H](C)NC(=O)c2ccn(C(C)C)c2C)C1 ZINC000970315279 613672020 /nfs/dbraw/zinc/67/20/20/613672020.db2.gz WSBAMDFTYDABRF-ZDUSSCGKSA-N 0 1 289.423 2.614 20 30 CFEDMN C=CCN1CCCN(C(=O)C[C@@H]2CC[C@H](C)C2)CC1 ZINC000981782426 613690226 /nfs/dbraw/zinc/69/02/26/613690226.db2.gz YGYGYAHAWPEIIU-LSDHHAIUSA-N 0 1 264.413 2.533 20 30 CFEDMN C=CCN1CCCN(C(=O)[C@@H]2CCC[C@@H]2CC)CC1 ZINC000981895811 613691733 /nfs/dbraw/zinc/69/17/33/613691733.db2.gz UXIWWSPJEIEYLI-LSDHHAIUSA-N 0 1 264.413 2.533 20 30 CFEDMN C=CCN1CCCN(C(=O)[C@@H]2C[C@H]2c2ccsc2)CC1 ZINC000981447670 613692725 /nfs/dbraw/zinc/69/27/25/613692725.db2.gz ZIIZGJBFKFKIIF-LSDHHAIUSA-N 0 1 290.432 2.572 20 30 CFEDMN C=CCN1CCCN(C(=O)c2cccc3ncccc32)CC1 ZINC000981717107 613698219 /nfs/dbraw/zinc/69/82/19/613698219.db2.gz ACLYAFHSTACXHK-UHFFFAOYSA-N 0 1 295.386 2.569 20 30 CFEDMN C=CCN1CC[C@@H](C)[C@@H](NC(=O)c2cc[nH]c2C(C)C)C1 ZINC000967963588 613729697 /nfs/dbraw/zinc/72/96/97/613729697.db2.gz DRSIISHAHDXGOE-HIFRSBDPSA-N 0 1 289.423 2.764 20 30 CFEDMN C=CCN1CC[C@@H](C)[C@@H](NC(=O)c2ccc(C=C)cc2)C1 ZINC000968340731 613730161 /nfs/dbraw/zinc/73/01/61/613730161.db2.gz UNIIHQXKYHYXGR-PBHICJAKSA-N 0 1 284.403 2.956 20 30 CFEDMN C=CCN1CC[C@@H](C)[C@@H](NC(=O)c2cccc3[nH]ccc32)C1 ZINC000968345676 613730587 /nfs/dbraw/zinc/73/05/87/613730587.db2.gz NZWRYEXLHBKPDX-DYVFJYSZSA-N 0 1 297.402 2.794 20 30 CFEDMN C=CCN1CC[C@@H](C)[C@H](NC(=O)C2=CCCCCC2)C1 ZINC000965946712 613732040 /nfs/dbraw/zinc/73/20/40/613732040.db2.gz QXRDSQFGSRBQOJ-GDBMZVCRSA-N 0 1 276.424 2.890 20 30 CFEDMN C=CCN1CC[C@@H](C)[C@H](NC(=O)Cc2ccc(C)s2)C1 ZINC000968678760 613732733 /nfs/dbraw/zinc/73/27/33/613732733.db2.gz URLMLGWXJHGNTL-IUODEOHRSA-N 0 1 292.448 2.612 20 30 CFEDMN C=CCN1CC[C@@H](C)[C@H](NC(=O)c2c(C)cccc2C)C1 ZINC000968339795 613733685 /nfs/dbraw/zinc/73/36/85/613733685.db2.gz KABQYXGFYGCAPJ-CZUORRHYSA-N 0 1 286.419 2.930 20 30 CFEDMN C=CCN1CC[C@@H](C)[C@H](NC(=O)c2oc(CC)cc2C)C1 ZINC000968549819 613737191 /nfs/dbraw/zinc/73/71/91/613737191.db2.gz YLYSUPVAEPXONK-IUODEOHRSA-N 0 1 290.407 2.777 20 30 CFEDMN C=CCN1CC[C@H](C)[C@@H](NC(=O)c2ccc(F)c(F)c2)C1 ZINC000966719910 613769753 /nfs/dbraw/zinc/76/97/53/613769753.db2.gz GBYMHQPNZIXHEB-NHYWBVRUSA-N 0 1 294.345 2.591 20 30 CFEDMN C=CCN1CC[C@H](C)[C@H](NC(=O)c2cc(F)ccc2C)C1 ZINC000967524074 613773207 /nfs/dbraw/zinc/77/32/07/613773207.db2.gz LBMWUOHQWAOVNJ-XJKSGUPXSA-N 0 1 290.382 2.760 20 30 CFEDMN C=CCN1CC[C@H](C)[C@H](NC(=O)c2ccc(C)cc2C)C1 ZINC000968610453 613773219 /nfs/dbraw/zinc/77/32/19/613773219.db2.gz QHTUWDVIIWNYFW-WMLDXEAASA-N 0 1 286.419 2.930 20 30 CFEDMN C=CCN1CC[C@H](C)[C@H](NC(=O)c2ccc(F)c(F)c2)C1 ZINC000966719911 613773835 /nfs/dbraw/zinc/77/38/35/613773835.db2.gz GBYMHQPNZIXHEB-XHDPSFHLSA-N 0 1 294.345 2.591 20 30 CFEDMN C=CCN1CC[C@H](C)[C@H](NC(=O)c2cccc3c2CCC3)C1 ZINC000968695978 613774059 /nfs/dbraw/zinc/77/40/59/613774059.db2.gz XVVRFJSAMXACOO-KBXCAEBGSA-N 0 1 298.430 2.802 20 30 CFEDMN C=CCN1C[C@@H](NC(=O)C2(C3CC3)CCC2)C(C)(C)C1 ZINC000974882813 613806107 /nfs/dbraw/zinc/80/61/07/613806107.db2.gz LBUIRGJUYOITKR-CQSZACIVSA-N 0 1 276.424 2.579 20 30 CFEDMN C=CCN1C[C@@H](NC(=O)[C@@]2(C)CC=CCC2)C(C)(C)C1 ZINC000974610808 613808384 /nfs/dbraw/zinc/80/83/84/613808384.db2.gz DRQOHVXULZBMKG-PBHICJAKSA-N 0 1 276.424 2.745 20 30 CFEDMN C=CCN1C[C@@H](NC(=O)c2cc(C)c(C)s2)C(C)(C)C1 ZINC000977566696 613809343 /nfs/dbraw/zinc/80/93/43/613809343.db2.gz MOCGNEMVNVHKNU-CQSZACIVSA-N 0 1 292.448 2.991 20 30 CFEDMN C=CCN1C[C@@H](NC(=O)c2coc(C(F)F)c2)C(C)(C)C1 ZINC000974988261 613811780 /nfs/dbraw/zinc/81/17/80/613811780.db2.gz WBVDYOMWXLQTJX-GFCCVEGCSA-N 0 1 298.333 2.843 20 30 CFEDMN C=CCN1C[C@H](NC(=O)C2CCC(=C)CC2)C(C)(C)C1 ZINC000974987920 613826558 /nfs/dbraw/zinc/82/65/58/613826558.db2.gz NSNDHXVTKTUPCW-HNNXBMFYSA-N 0 1 276.424 2.745 20 30 CFEDMN C=CCN1C[C@H](NC(=O)C(C)=C2CCCC2)C(C)(C)C1 ZINC000973019062 613826587 /nfs/dbraw/zinc/82/65/87/613826587.db2.gz ONYICKPDTPVGQM-HNNXBMFYSA-N 0 1 276.424 2.890 20 30 CFEDMN C=CCN1C[C@H](NC(=O)[C@@H](C)c2ccccc2)C(C)(C)C1 ZINC000977495814 613827327 /nfs/dbraw/zinc/82/73/27/613827327.db2.gz GMAVHOZJZKCMOA-HOCLYGCPSA-N 0 1 286.419 2.803 20 30 CFEDMN CC(C)C(=O)N[C@@H]1CN(Cc2cccc(C#N)c2)CC[C@@H]1C ZINC000965248154 613937070 /nfs/dbraw/zinc/93/70/70/613937070.db2.gz RWEYVDUPEFCJDU-WMLDXEAASA-N 0 1 299.418 2.541 20 30 CFEDMN CC(C)[C@H](C)C(=O)N1CC[C@@H](NCc2ccccc2C#N)C1 ZINC000970153700 614198861 /nfs/dbraw/zinc/19/88/61/614198861.db2.gz BGHWNAMYXRCACG-WMLDXEAASA-N 0 1 299.418 2.541 20 30 CFEDMN C=CCONC(=O)C(C)(C)c1cccc(Cl)c1 ZINC000837047285 630945533 /nfs/dbraw/zinc/94/55/33/630945533.db2.gz DCQAUDDYFGJATP-UHFFFAOYSA-N 0 1 253.729 2.851 20 30 CFEDMN COc1cccc(N=NCc2ccc(Cl)nc2)n1 ZINC000779821284 617854326 /nfs/dbraw/zinc/85/43/26/617854326.db2.gz XPOHVINSVXXFJE-UHFFFAOYSA-N 0 1 262.700 2.585 20 30 CFEDMN C=CC[C@@H]1CCN1C[C@@](C)(O)C(F)(F)C(F)(F)F ZINC000934462621 618041007 /nfs/dbraw/zinc/04/10/07/618041007.db2.gz RLQKVJKUQSZOGA-RKDXNWHRSA-N 0 1 273.245 2.585 20 30 CFEDMN O=[N+]([O-])c1ccc(CNCC#Cc2ccccc2)cc1 ZINC000051814169 618079303 /nfs/dbraw/zinc/07/93/03/618079303.db2.gz KDXXUUOAUYHVBE-UHFFFAOYSA-N 0 1 266.300 2.736 20 30 CFEDMN C=CC[C@H]1CCN1C(=O)c1n[nH]c(CC)c1Br ZINC000890551681 617642128 /nfs/dbraw/zinc/64/21/28/617642128.db2.gz DDXUWQBGGBMZNZ-QMMMGPOBSA-N 0 1 298.184 2.525 20 30 CFEDMN C=CC[C@@H]1CCN1C(=O)c1n[nH]c(CC)c1Br ZINC000890551678 617642221 /nfs/dbraw/zinc/64/22/21/617642221.db2.gz DDXUWQBGGBMZNZ-MRVPVSSYSA-N 0 1 298.184 2.525 20 30 CFEDMN C=CC[C@H]1CCN1C(=O)c1c(C)n[nH]c1C(F)(F)F ZINC000890558311 617650661 /nfs/dbraw/zinc/65/06/61/617650661.db2.gz ARYKAGSEEGBBFV-QMMMGPOBSA-N 0 1 273.258 2.528 20 30 CFEDMN C=CC[C@H]1CCN1C(=O)c1cc(-c2ccccc2)[nH]n1 ZINC000890566766 617658014 /nfs/dbraw/zinc/65/80/14/617658014.db2.gz MTICAPHPWBUCGX-ZDUSSCGKSA-N 0 1 267.332 2.867 20 30 CFEDMN C=CC[N@H+](Cc1ncc(Br)cc1[O-])C(C)C ZINC000891674026 617703772 /nfs/dbraw/zinc/70/37/72/617703772.db2.gz FAMSXTRNSNCMGM-UHFFFAOYSA-N 0 1 285.185 2.946 20 30 CFEDMN C=CC[N@@H+](Cc1ncc(Br)cc1[O-])C(C)C ZINC000891674026 617703776 /nfs/dbraw/zinc/70/37/76/617703776.db2.gz FAMSXTRNSNCMGM-UHFFFAOYSA-N 0 1 285.185 2.946 20 30 CFEDMN CC(C)N(CCC#N)C[C@H]1C[C@@H](NC(=O)OC(C)(C)C)C1 ZINC000891694216 617714468 /nfs/dbraw/zinc/71/44/68/617714468.db2.gz LUGGZKABZRIPNV-OKILXGFUSA-N 0 1 295.427 2.914 20 30 CFEDMN CN(CCOC1CCC1)Cc1cc(C#N)cs1 ZINC000933772241 617775177 /nfs/dbraw/zinc/77/51/77/617775177.db2.gz NQGIRFNZMLCXDQ-UHFFFAOYSA-N 0 1 250.367 2.621 20 30 CFEDMN C[C@H]1CC[C@H](CN(C)Cc2cc(C#N)cs2)O1 ZINC000933773276 617775822 /nfs/dbraw/zinc/77/58/22/617775822.db2.gz IULOVIXYDUCDRO-CMPLNLGQSA-N 0 1 250.367 2.619 20 30 CFEDMN C[C@H]1CCCCN1CCNc1cc(C#N)sc1[N+](=O)[O-] ZINC000891837202 617779185 /nfs/dbraw/zinc/77/91/85/617779185.db2.gz CZVREGCABQMTQK-JTQLQIEISA-N 0 1 294.380 2.814 20 30 CFEDMN Cn1cc(C=NNc2nc3ccccc3[nH]2)c(C2CC2)n1 ZINC000901128656 620754191 /nfs/dbraw/zinc/75/41/91/620754191.db2.gz JBKZNKKGYAIGIQ-UHFFFAOYSA-N 0 1 280.335 2.620 20 30 CFEDMN CCCCCCCC(=O)N[C@@H](C)c1n[nH]c(C)n1 ZINC000804815661 617897150 /nfs/dbraw/zinc/89/71/50/617897150.db2.gz XHCBEVLBOYONPA-JTQLQIEISA-N 0 1 252.362 2.651 20 30 CFEDMN C=CCCCN(CC)C(=O)[C@H]1c2cn[nH]c2CC[C@@H]1C ZINC000890809903 617908482 /nfs/dbraw/zinc/90/84/82/617908482.db2.gz HBOLHJBJXLRJIH-SWLSCSKDSA-N 0 1 275.396 2.890 20 30 CFEDMN C=CCCCN(CC)C(=O)c1cc(C(F)F)[nH]n1 ZINC000890811131 617909049 /nfs/dbraw/zinc/90/90/49/617909049.db2.gz RNDHZLQMWCCWKD-UHFFFAOYSA-N 0 1 257.284 2.776 20 30 CFEDMN C=CCCCN(CC)C(=O)c1c[nH]c2ccccc2c1=O ZINC000890814945 617911464 /nfs/dbraw/zinc/91/14/64/617911464.db2.gz OAAIQIFFCLLHIC-UHFFFAOYSA-N 0 1 284.359 2.956 20 30 CFEDMN CC[C@H](C)CON=Cc1[nH]c(C)nc1Br ZINC000901245664 620770924 /nfs/dbraw/zinc/77/09/24/620770924.db2.gz FOPPVGIMWQREDE-ZETCQYMHSA-N 0 1 274.162 2.877 20 30 CFEDMN C=CC[C@@H]1CCN1[C@H]1CCN(C2CCCCC2)C1=O ZINC000934459411 618039230 /nfs/dbraw/zinc/03/92/30/618039230.db2.gz JYLWKAVHIINLCQ-HIFRSBDPSA-N 0 1 262.397 2.570 20 30 CFEDMN C=CC[C@H]1CCN1C[C@@H](O)c1ccc(F)c(F)c1 ZINC000934471568 618045634 /nfs/dbraw/zinc/04/56/34/618045634.db2.gz UTNBJWIEFRIAMV-SMDDNHRTSA-N 0 1 253.292 2.649 20 30 CFEDMN C=CC[C@H]1CCN1[C@H](C)C(=O)N(C)Cc1cccc(F)c1 ZINC000934470138 618045920 /nfs/dbraw/zinc/04/59/20/618045920.db2.gz BJQILOYPWZHCLZ-CJNGLKHVSA-N 0 1 290.382 2.823 20 30 CFEDMN C=CC[C@@H]1CC[N@@H+]1CCOc1cccc([N+](=O)[O-])c1 ZINC000934470625 618046109 /nfs/dbraw/zinc/04/61/09/618046109.db2.gz OWLHSHDXTSWIPI-GFCCVEGCSA-N 0 1 262.309 2.624 20 30 CFEDMN C=CC[C@@H]1CCN1[C@H](C)C(=O)NC[C@H](C)c1ccccc1 ZINC000934472235 618047610 /nfs/dbraw/zinc/04/76/10/618047610.db2.gz PWHWADRRBQSHPZ-ZMSDIMECSA-N 0 1 286.419 2.945 20 30 CFEDMN C=CC[C@@H]1CCN1[C@H](C)C(=O)N1C[C@@H](C)C[C@H](C)C1 ZINC000934472347 618047907 /nfs/dbraw/zinc/04/79/07/618047907.db2.gz MAWBGHXUMOFELC-BYNSBNAKSA-N 0 1 264.413 2.530 20 30 CFEDMN CCCCCCC[C@H](C)CNC(=O)c1cnn[nH]1 ZINC000121881056 618095499 /nfs/dbraw/zinc/09/54/99/618095499.db2.gz LZMLFEYECIAZBA-NSHDSACASA-N 0 1 252.362 2.531 20 30 CFEDMN Cn1cc(C=NN=c2[nH]c3ccncc3s2)c(C2CC2)n1 ZINC000901270592 620778793 /nfs/dbraw/zinc/77/87/93/620778793.db2.gz CTBQLYGQWTYJIE-UHFFFAOYSA-N 0 1 298.375 2.748 20 30 CFEDMN Cn1cc(C=[NH+][N-]c2nc3ccncc3s2)c(C2CC2)n1 ZINC000901270592 620778794 /nfs/dbraw/zinc/77/87/94/620778794.db2.gz CTBQLYGQWTYJIE-UHFFFAOYSA-N 0 1 298.375 2.748 20 30 CFEDMN C#CCNCC(=O)N(C)[C@@H](C)c1ccc(Cl)cc1Cl ZINC000092492776 618181204 /nfs/dbraw/zinc/18/12/04/618181204.db2.gz POSQERYOZMOOBT-JTQLQIEISA-N 0 1 299.201 2.736 20 30 CFEDMN C#CCC1(N[C@@H](C)c2nc3ccccc3c(=O)[nH]2)CCC1 ZINC000933300152 618194382 /nfs/dbraw/zinc/19/43/82/618194382.db2.gz RXIIMIIKUPQMTM-LBPRGKRZSA-N 0 1 281.359 2.932 20 30 CFEDMN C=C1CCC(C(=O)NC[C@@H]2CCCN(CCF)C2)CC1 ZINC001023573246 618200491 /nfs/dbraw/zinc/20/04/91/618200491.db2.gz WJHWNVDVPVUBJY-AWEZNQCLSA-N 0 1 282.403 2.531 20 30 CFEDMN N#Cc1cccc(CNC2([C@H]3CCCCO3)CC2)c1F ZINC000933375728 618214871 /nfs/dbraw/zinc/21/48/71/618214871.db2.gz MUANKCYYBUOPNF-CQSZACIVSA-N 0 1 274.339 2.889 20 30 CFEDMN C=C(C)C[N@@H+](CC)Cc1ncc(Br)cc1[O-] ZINC000891456916 618221818 /nfs/dbraw/zinc/22/18/18/618221818.db2.gz MNQWXNWJAIBTDL-UHFFFAOYSA-N 0 1 285.185 2.948 20 30 CFEDMN C=C(C)C[N@H+](CC)Cc1ncc(Br)cc1[O-] ZINC000891456916 618221820 /nfs/dbraw/zinc/22/18/20/618221820.db2.gz MNQWXNWJAIBTDL-UHFFFAOYSA-N 0 1 285.185 2.948 20 30 CFEDMN C=C(Cl)CNCc1c[nH]nc1-c1ccsc1 ZINC000309634421 618222727 /nfs/dbraw/zinc/22/27/27/618222727.db2.gz LXPUVITYGKDOOM-UHFFFAOYSA-N 0 1 253.758 2.980 20 30 CFEDMN N#CC(C(=O)c1cnc(C2CC2)o1)c1nc2ccccc2[nH]1 ZINC000892420306 618234811 /nfs/dbraw/zinc/23/48/11/618234811.db2.gz QTCQCDDYDWZNRH-SNVBAGLBSA-N 0 1 292.298 2.918 20 30 CFEDMN Cn1c2ccccc2nc1C(C#N)C(=O)C1(C2CC2)CC1 ZINC000892420485 618235032 /nfs/dbraw/zinc/23/50/32/618235032.db2.gz SSKCTZSIHKHAKO-LBPRGKRZSA-N 0 1 279.343 2.940 20 30 CFEDMN Cn1c2ccccc2nc1C(C#N)C(=O)C1(C2CC2)CC1 ZINC000892420484 618235112 /nfs/dbraw/zinc/23/51/12/618235112.db2.gz SSKCTZSIHKHAKO-GFCCVEGCSA-N 0 1 279.343 2.940 20 30 CFEDMN O=C(/C=C/c1cnn2ccccc12)c1ccccc1O ZINC000176953787 618246806 /nfs/dbraw/zinc/24/68/06/618246806.db2.gz HZRJIVZBNIEPHJ-CMDGGOBGSA-N 0 1 264.284 2.936 20 30 CFEDMN C[C@H](NC1(c2cccc(C#N)c2)CC1)c1ccnnc1 ZINC000925926565 618247005 /nfs/dbraw/zinc/24/70/05/618247005.db2.gz QRIWCHXCFWNTMF-LBPRGKRZSA-N 0 1 264.332 2.688 20 30 CFEDMN C[C@@H](NC1(c2cccc(C#N)c2)CC1)c1ccnnc1 ZINC000925926562 618247069 /nfs/dbraw/zinc/24/70/69/618247069.db2.gz QRIWCHXCFWNTMF-GFCCVEGCSA-N 0 1 264.332 2.688 20 30 CFEDMN CCN(Cc1cc(F)cc(F)c1O)C[C@H](C)C#N ZINC000893995649 618262021 /nfs/dbraw/zinc/26/20/21/618262021.db2.gz SIFVXCAUPYUIHW-SECBINFHSA-N 0 1 254.280 2.652 20 30 CFEDMN Cn1nc2c(c1CN=Nc1cc(F)ccc1F)CCC2 ZINC000901320844 620791185 /nfs/dbraw/zinc/79/11/85/620791185.db2.gz RAEOCLFSJRZYJH-UHFFFAOYSA-N 0 1 276.290 2.633 20 30 CFEDMN C=CC[N@@H+]1CCCC[C@@H]1CNC(=O)c1ccc(Cl)o1 ZINC001024334107 618294280 /nfs/dbraw/zinc/29/42/80/618294280.db2.gz YPLBFCYLAGXJHS-LLVKDONJSA-N 0 1 282.771 2.703 20 30 CFEDMN C=CCN1CCCC[C@@H]1CNC(=O)c1ccc(Cl)o1 ZINC001024334107 618294282 /nfs/dbraw/zinc/29/42/82/618294282.db2.gz YPLBFCYLAGXJHS-LLVKDONJSA-N 0 1 282.771 2.703 20 30 CFEDMN C=C(C)C[N@H+]1CCCC[C@H]1CNC(=O)c1occc1C ZINC001024330918 618294659 /nfs/dbraw/zinc/29/46/59/618294659.db2.gz BCAWJVBWGODTLO-AWEZNQCLSA-N 0 1 276.380 2.748 20 30 CFEDMN C=C(C)CN1CCCC[C@H]1CNC(=O)c1occc1C ZINC001024330918 618294661 /nfs/dbraw/zinc/29/46/61/618294661.db2.gz BCAWJVBWGODTLO-AWEZNQCLSA-N 0 1 276.380 2.748 20 30 CFEDMN CC#CCN1CCCC[C@@H]1CNC(=O)C1=CCCCCC1 ZINC001024410725 618313038 /nfs/dbraw/zinc/31/30/38/618313038.db2.gz JTXDWXSZSIKMRV-QGZVFWFLSA-N 0 1 288.435 2.871 20 30 CFEDMN C#CCN1CCCC[C@H]1CNC(=O)[C@@H]1CCCC2(CC2)C1 ZINC001024437719 618317049 /nfs/dbraw/zinc/31/70/49/618317049.db2.gz ACIVVCDXTFUSDJ-CVEARBPZSA-N 0 1 288.435 2.561 20 30 CFEDMN C#CC1CCN(Cc2[nH]cc(C(=O)OC)c2C2CC2)CC1 ZINC000895117007 618318443 /nfs/dbraw/zinc/31/84/43/618318443.db2.gz ZAPNMJSNHKTRCY-UHFFFAOYSA-N 0 1 286.375 2.524 20 30 CFEDMN C=CCN1CCCC[C@H]1CNC(=O)c1ccc(F)c(F)c1 ZINC001024480390 618329668 /nfs/dbraw/zinc/32/96/68/618329668.db2.gz ISDZCONKOKNQOT-ZDUSSCGKSA-N 0 1 294.345 2.735 20 30 CFEDMN N#Cc1ccc(O)c(NC(=O)c2cccnc2Cl)c1 ZINC000179737693 618343031 /nfs/dbraw/zinc/34/30/31/618343031.db2.gz JYIHGMZKGJJICW-UHFFFAOYSA-N 0 1 273.679 2.565 20 30 CFEDMN N#Cc1ccc(O)c(NC(=O)Cc2cccs2)c1 ZINC000179737603 618343364 /nfs/dbraw/zinc/34/33/64/618343364.db2.gz XSJHDDVDJJRKBN-UHFFFAOYSA-N 0 1 258.302 2.507 20 30 CFEDMN C=CC[N@@H+](CC(=O)[O-])Cc1cccc(OCCC)c1 ZINC000092468897 618346487 /nfs/dbraw/zinc/34/64/87/618346487.db2.gz VUYUNWUGYZCOGV-UHFFFAOYSA-N 0 1 263.337 2.548 20 30 CFEDMN N#CC(C(=O)C[C@H]1CCC2(CCC2)O1)c1ccccn1 ZINC000892483245 618360250 /nfs/dbraw/zinc/36/02/50/618360250.db2.gz LNQORONLDACWCJ-OLZOCXBDSA-N 0 1 270.332 2.750 20 30 CFEDMN N#C[C@H](C(=O)C[C@@H]1C[C@H]1C1CC1)C(=O)NC1CCCCC1 ZINC000892496476 618387402 /nfs/dbraw/zinc/38/74/02/618387402.db2.gz YXIOTRICWSWYQU-AEGPPILISA-N 0 1 288.391 2.580 20 30 CFEDMN C=CC(C)(C)CC(=O)C(C#N)C(=O)NC1CCCCC1 ZINC000892496538 618387791 /nfs/dbraw/zinc/38/77/91/618387791.db2.gz ZYKKEAOZKJGUFX-CYBMUJFWSA-N 0 1 276.380 2.746 20 30 CFEDMN C=CC[N@H+](CC(=O)[O-])Cc1ccc(Cl)cc1F ZINC000162563361 618390689 /nfs/dbraw/zinc/39/06/89/618390689.db2.gz OGHXPNPXZISJFI-UHFFFAOYSA-N 0 1 257.692 2.552 20 30 CFEDMN Cc1cc(C)c(/C=C/CN[C@H]2CCCN(O)C2=O)cc1C ZINC000895156950 618403426 /nfs/dbraw/zinc/40/34/26/618403426.db2.gz JFHQKBCQIIUOSI-NBUZRDOWSA-N 0 1 288.391 2.595 20 30 CFEDMN C=CCc1cc(C[N@H+]2CCO[C@H](CC)C2)c(O)c(OC)c1 ZINC000178849153 618422129 /nfs/dbraw/zinc/42/21/29/618422129.db2.gz BHPSXQTUHUOZTA-OAHLLOKOSA-N 0 1 291.391 2.740 20 30 CFEDMN C=CCc1cc(CN2CCO[C@H](CC)C2)c(O)c(OC)c1 ZINC000178849153 618422136 /nfs/dbraw/zinc/42/21/36/618422136.db2.gz BHPSXQTUHUOZTA-OAHLLOKOSA-N 0 1 291.391 2.740 20 30 CFEDMN C=C1CCC(C(=O)NC[C@H]2CCCCN2CC#CC)CC1 ZINC001024631296 618427318 /nfs/dbraw/zinc/42/73/18/618427318.db2.gz JTZMWCSSWHIFSS-QGZVFWFLSA-N 0 1 288.435 2.727 20 30 CFEDMN C=CCN1CCCC[C@@H]1CNC(=O)[C@@]12C[C@@H]1CCCC2 ZINC001024645070 618431788 /nfs/dbraw/zinc/43/17/88/618431788.db2.gz CZSKUYRBIDJSHG-UXLLHSPISA-N 0 1 276.424 2.723 20 30 CFEDMN C=CC[N@@H+](CC(=O)[O-])Cc1ccc(Cl)cc1C ZINC000235785422 618437431 /nfs/dbraw/zinc/43/74/31/618437431.db2.gz MQHWXGHRYPXTMY-UHFFFAOYSA-N 0 1 253.729 2.721 20 30 CFEDMN CC#CCN1CCCC[C@H]1CNC(=O)c1c(C)cccc1C ZINC001024672641 618438540 /nfs/dbraw/zinc/43/85/40/618438540.db2.gz BGMVTHNTPKPFJK-KRWDZBQOSA-N 0 1 298.430 2.911 20 30 CFEDMN C=CCCCCCNCc1ncc(C(=O)OC)s1 ZINC000895189478 618451556 /nfs/dbraw/zinc/45/15/56/618451556.db2.gz WBNQWFVRGHTFIY-UHFFFAOYSA-N 0 1 268.382 2.766 20 30 CFEDMN O=C(OCC#CC1CCCCC1)c1ccc([N+](=O)[O-])[nH]1 ZINC000814094093 618453479 /nfs/dbraw/zinc/45/34/79/618453479.db2.gz ZGPJJSPFRRTPNS-UHFFFAOYSA-N 0 1 276.292 2.663 20 30 CFEDMN C#CCNCC(=O)N[C@@H](c1ccc(C(C)C)cc1)C(C)C ZINC000727238603 618464969 /nfs/dbraw/zinc/46/49/69/618464969.db2.gz IJOWEXBUOYTHGB-GOSISDBHSA-N 0 1 286.419 2.846 20 30 CFEDMN C=CCN1CCCC[C@H]1CNC(=O)c1ccc(F)cc1F ZINC001024786684 618469639 /nfs/dbraw/zinc/46/96/39/618469639.db2.gz NQFVQFAGDRLTEQ-ZDUSSCGKSA-N 0 1 294.345 2.735 20 30 CFEDMN O=[N+]([O-])c1ccccc1CN=Nc1cnc2ccccc2n1 ZINC000727258767 618475697 /nfs/dbraw/zinc/47/56/97/618475697.db2.gz UFQSPZDQMHVBLA-UHFFFAOYSA-N 0 1 293.286 2.984 20 30 CFEDMN C#CCOc1ccc(C=NNc2ccc(C)cn2)cc1 ZINC000727259281 618475766 /nfs/dbraw/zinc/47/57/66/618475766.db2.gz AWJVNRKKBFMPOB-UHFFFAOYSA-N 0 1 265.316 2.848 20 30 CFEDMN CC(=O)Nc1ccc(C=NNc2ccc(C)cn2)cc1 ZINC000727259608 618476074 /nfs/dbraw/zinc/47/60/74/618476074.db2.gz ICUQCYPEXGLGCD-UHFFFAOYSA-N 0 1 268.320 2.794 20 30 CFEDMN C(=NNCCN1CCCCC1)c1ccc2occc2c1 ZINC000794895064 618476626 /nfs/dbraw/zinc/47/66/26/618476626.db2.gz BRSKJLQVBZXQJO-UHFFFAOYSA-N 0 1 271.364 2.842 20 30 CFEDMN C[C@@H](CC(C)(C)C#N)N[C@@H](CO)c1ccc(F)cc1F ZINC000895458625 618596361 /nfs/dbraw/zinc/59/63/61/618596361.db2.gz GQJLPMDNQDZBPP-HZMBPMFUSA-N 0 1 282.334 2.916 20 30 CFEDMN C[C@@H](C#N)OCCN(C)[C@@H](C)c1ccccc1F ZINC000310708010 618608257 /nfs/dbraw/zinc/60/82/57/618608257.db2.gz JCPKYEHUBXNARY-RYUDHWBXSA-N 0 1 250.317 2.747 20 30 CFEDMN C[C@@H]1CN(Cc2ccc(OCC#N)cc2)[C@H](C)[C@@H](C)O1 ZINC000782624345 618649266 /nfs/dbraw/zinc/64/92/66/618649266.db2.gz UYNVAYYONUACEV-MGPQQGTHSA-N 0 1 274.364 2.587 20 30 CFEDMN N#CC(C(=O)CC[C@H]1CC1(Cl)Cl)c1ccncn1 ZINC000850948823 618669299 /nfs/dbraw/zinc/66/92/99/618669299.db2.gz WUEBBSRCIAHCAO-DTWKUNHWSA-N 0 1 284.146 2.627 20 30 CFEDMN C#CCCN1CCN(Cc2cccc(SC)c2)CC1 ZINC000851873070 618737794 /nfs/dbraw/zinc/73/77/94/618737794.db2.gz PPSYXOIZNSDPHO-UHFFFAOYSA-N 0 1 274.433 2.549 20 30 CFEDMN C=C(Cl)CN1CCC[C@@H](CCC(=O)OCC)C1 ZINC000162297279 618837593 /nfs/dbraw/zinc/83/75/93/618837593.db2.gz CQGIKBCDKRLZGH-LBPRGKRZSA-N 0 1 259.777 2.794 20 30 CFEDMN C=CCN1CCC[C@@H](NC(=O)[C@H]2CCc3ccccc3C2)C1 ZINC001008665249 618960024 /nfs/dbraw/zinc/96/00/24/618960024.db2.gz LFKHTEQVDKIEEP-ZWKOTPCHSA-N 0 1 298.430 2.558 20 30 CFEDMN C=CCN1CCC[C@@H](NC(=O)[C@H](C)C2CCCC2)C1 ZINC001009156262 618981695 /nfs/dbraw/zinc/98/16/95/618981695.db2.gz VXXDKECZWAZHLP-UKRRQHHQSA-N 0 1 264.413 2.579 20 30 CFEDMN C=C(C)CN1CCC[C@@H](NC(=O)c2cc(C)oc2C)C1 ZINC001006704475 618995760 /nfs/dbraw/zinc/99/57/60/618995760.db2.gz QJGYPPGNKSZSMD-CQSZACIVSA-N 0 1 276.380 2.667 20 30 CFEDMN C=CC[N@H+]1CCC[C@H](NC(=O)c2cccc(C3CC3)c2)C1 ZINC001009650252 619006536 /nfs/dbraw/zinc/00/65/36/619006536.db2.gz UEGAASFDOZOJGF-KRWDZBQOSA-N 0 1 284.403 2.944 20 30 CFEDMN C=CCN1CCC[C@H](NC(=O)c2cccc(C3CC3)c2)C1 ZINC001009650252 619006539 /nfs/dbraw/zinc/00/65/39/619006539.db2.gz UEGAASFDOZOJGF-KRWDZBQOSA-N 0 1 284.403 2.944 20 30 CFEDMN C#CCOc1ccc(CN2CCOC3(CCCC3)C2)cc1 ZINC000093589125 619038168 /nfs/dbraw/zinc/03/81/68/619038168.db2.gz NNYXXKOTYOSKTN-UHFFFAOYSA-N 0 1 285.387 2.844 20 30 CFEDMN C[C@H](c1ccc(C#N)cc1)N1CCc2sc(CN)nc2C1 ZINC000925749252 619053534 /nfs/dbraw/zinc/05/35/34/619053534.db2.gz WHBHTZSMFFMFES-LLVKDONJSA-N 0 1 298.415 2.593 20 30 CFEDMN CC[C@H](CC#N)N[C@H](C)[C@@H]1COc2ccccc2C1 ZINC000893606836 619090798 /nfs/dbraw/zinc/09/07/98/619090798.db2.gz RXZFBEDWWNZFRT-VHDGCEQUSA-N 0 1 258.365 2.908 20 30 CFEDMN Cc1cc2c[nH]nc2c(C(=O)N(CCC#N)CC(C)C)c1 ZINC000726530315 619250539 /nfs/dbraw/zinc/25/05/39/619250539.db2.gz GSICNZFFPXKWHZ-UHFFFAOYSA-N 0 1 284.363 2.883 20 30 CFEDMN COc1ncccc1CNCc1ccc(O[C@@H](C)C#N)cc1 ZINC000237122962 619271913 /nfs/dbraw/zinc/27/19/13/619271913.db2.gz IWGCIGBLLDKSLJ-ZDUSSCGKSA-N 0 1 297.358 2.671 20 30 CFEDMN Cc1nccn1CCC[N@H+](C)Cc1csc(C#N)c1 ZINC000894476574 619395669 /nfs/dbraw/zinc/39/56/69/619395669.db2.gz PVSVKGFSPNWMEP-UHFFFAOYSA-N 0 1 274.393 2.647 20 30 CFEDMN C#C[C@H](N[C@H](C)COCCOC)c1ccc(Cl)cc1 ZINC000894554008 619418064 /nfs/dbraw/zinc/41/80/64/619418064.db2.gz WTFKAUUSAOYGMF-DOMZBBRYSA-N 0 1 281.783 2.655 20 30 CFEDMN CCCCCCCC(=O)NCc1nc(CSC)n[nH]1 ZINC000894607938 619426626 /nfs/dbraw/zinc/42/66/26/619426626.db2.gz BDYABRDGKDFBBH-UHFFFAOYSA-N 0 1 284.429 2.644 20 30 CFEDMN CCCCCCCC(=O)NCc1nnc(CSC)[nH]1 ZINC000894607938 619426627 /nfs/dbraw/zinc/42/66/27/619426627.db2.gz BDYABRDGKDFBBH-UHFFFAOYSA-N 0 1 284.429 2.644 20 30 CFEDMN CC1(C)C[C@@H](O)CC[N@@H+](Cc2csc(C#N)c2)C1 ZINC000894755413 619458309 /nfs/dbraw/zinc/45/83/09/619458309.db2.gz POKVXUVMUAZQIP-LBPRGKRZSA-N 0 1 264.394 2.603 20 30 CFEDMN CC1(C)C[C@@H](O)CCN(Cc2csc(C#N)c2)C1 ZINC000894755413 619458310 /nfs/dbraw/zinc/45/83/10/619458310.db2.gz POKVXUVMUAZQIP-LBPRGKRZSA-N 0 1 264.394 2.603 20 30 CFEDMN C=C(CC)C[NH2+]Cc1ncc(Br)cc1[O-] ZINC000894776052 619461650 /nfs/dbraw/zinc/46/16/50/619461650.db2.gz SETMTJZBYGPGKW-UHFFFAOYSA-N 0 1 271.158 2.606 20 30 CFEDMN Cc1nc(Cl)cc(NN=Cc2ccc(Cl)nc2)n1 ZINC000748788092 619501746 /nfs/dbraw/zinc/50/17/46/619501746.db2.gz AGSIQIWABXHYKZ-UHFFFAOYSA-N 0 1 282.134 2.933 20 30 CFEDMN COc1ccc(N=NCc2oc(C)nc2C)c([N+](=O)[O-])c1 ZINC000793034533 619505070 /nfs/dbraw/zinc/50/50/70/619505070.db2.gz OSCYAWZFEFHSKH-UHFFFAOYSA-N 0 1 290.279 2.654 20 30 CFEDMN C=CC[C@@H]1CCN(Cc2ccnc(OC)c2F)C1 ZINC000895556782 619554873 /nfs/dbraw/zinc/55/48/73/619554873.db2.gz BPEIBFUUZDTWIO-LLVKDONJSA-N 0 1 250.317 2.627 20 30 CFEDMN C#CCC1(O)CCN(Cc2cc(F)cc(OCC)c2)CC1 ZINC000895671861 619582867 /nfs/dbraw/zinc/58/28/67/619582867.db2.gz ZJRROYXCROFUJR-UHFFFAOYSA-N 0 1 291.366 2.575 20 30 CFEDMN C[C@@H]1[C@H](Nc2ncc(C#N)c3ccsc32)CC[N@H+]1C ZINC000895736501 619597614 /nfs/dbraw/zinc/59/76/14/619597614.db2.gz JUILDARGBQQIOJ-BXKDBHETSA-N 0 1 272.377 2.672 20 30 CFEDMN C=C1CCN(C(=O)NC[C@H]2CCN2Cc2ccccc2)CC1 ZINC000895899866 619630133 /nfs/dbraw/zinc/63/01/33/619630133.db2.gz RVTGNYPLRHLXHN-QGZVFWFLSA-N 0 1 299.418 2.623 20 30 CFEDMN C=C1CCC(C(=O)NCc2n[nH]c(-c3ccccc3)n2)CC1 ZINC000896043105 619662134 /nfs/dbraw/zinc/66/21/34/619662134.db2.gz JWPIFAFFQDGYDN-UHFFFAOYSA-N 0 1 296.374 2.834 20 30 CFEDMN C=C1CCC(C(=O)NCc2nc(-c3ccccc3)n[nH]2)CC1 ZINC000896043105 619662135 /nfs/dbraw/zinc/66/21/35/619662135.db2.gz JWPIFAFFQDGYDN-UHFFFAOYSA-N 0 1 296.374 2.834 20 30 CFEDMN CO[C@H]1CC[C@H](C)N(Cc2csc(C#N)c2)C1 ZINC000896076466 619667109 /nfs/dbraw/zinc/66/71/09/619667109.db2.gz QQJQVULWJNJWOD-JQWIXIFHSA-N 0 1 250.367 2.619 20 30 CFEDMN C=C(C)C[C@H](C)C(=O)OCc1nc(C(C)C)n[nH]1 ZINC000795530257 619681144 /nfs/dbraw/zinc/68/11/44/619681144.db2.gz OMLDDXBYXHKJGY-JTQLQIEISA-N 0 1 251.330 2.574 20 30 CFEDMN C=C(C)C[C@H](C)C(=O)OCc1n[nH]c(C(C)C)n1 ZINC000795530257 619681148 /nfs/dbraw/zinc/68/11/48/619681148.db2.gz OMLDDXBYXHKJGY-JTQLQIEISA-N 0 1 251.330 2.574 20 30 CFEDMN C=CC[C@@H](NC(=O)[C@@H]1CCN1C(C)(C)C)c1ccncc1 ZINC000896384299 619726576 /nfs/dbraw/zinc/72/65/76/619726576.db2.gz AEXXVWDUBRNCJB-CABCVRRESA-N 0 1 287.407 2.688 20 30 CFEDMN COCCCC1(CN2CCC[C@@H](C#N)C2)CCC1 ZINC000896501326 619750717 /nfs/dbraw/zinc/75/07/17/619750717.db2.gz PGVXPKVCQJDGCB-AWEZNQCLSA-N 0 1 250.386 2.819 20 30 CFEDMN N#C[C@@H]1CCCN(C[C@@H]2CCN(c3ccccc3)C2)C1 ZINC000896502256 619751180 /nfs/dbraw/zinc/75/11/80/619751180.db2.gz WFBYMAOLNFHZFB-HOTGVXAUSA-N 0 1 269.392 2.748 20 30 CFEDMN N#CC[C@@H](NCc1cccc(Cl)c1O)C(F)(F)F ZINC000896698577 619793512 /nfs/dbraw/zinc/79/35/12/619793512.db2.gz JLTCVAFWBDTCCQ-SECBINFHSA-N 0 1 278.661 2.980 20 30 CFEDMN Cc1cc(C[C@@H](C)NC(=O)c2c(C)cc(C#N)cc2C)n[nH]1 ZINC000896819380 619828919 /nfs/dbraw/zinc/82/89/19/619828919.db2.gz PBIPVOXLRJNUKC-GFCCVEGCSA-N 0 1 296.374 2.568 20 30 CFEDMN CCC(CC)CC(=O)[C@@H](C#N)C(=O)NC1CCCC1 ZINC000151715504 619843456 /nfs/dbraw/zinc/84/34/56/619843456.db2.gz DKCPPCMVMQBDQV-CYBMUJFWSA-N 0 1 264.369 2.580 20 30 CFEDMN C[C@@H]1CC[C@H](CC(=O)[C@@H](C#N)C(=O)NC2CCCC2)C1 ZINC000151715921 619843722 /nfs/dbraw/zinc/84/37/22/619843722.db2.gz STSWHJPTIZNCEX-MBNYWOFBSA-N 0 1 276.380 2.580 20 30 CFEDMN CCOC(=O)c1ccc(CNCc2ccc(C)c(C#N)c2)[nH]1 ZINC000896881000 619856433 /nfs/dbraw/zinc/85/64/33/619856433.db2.gz ZDURLZSETXERBU-UHFFFAOYSA-N 0 1 297.358 2.661 20 30 CFEDMN N#Cc1cccc(CN2CCC(F)(C3CC3)CC2)n1 ZINC000896945266 619902230 /nfs/dbraw/zinc/90/22/30/619902230.db2.gz BUTPQEQMEIIRKW-UHFFFAOYSA-N 0 1 259.328 2.667 20 30 CFEDMN C#CCN1CCC(NC(=O)C[C@H](C)CCC=C(C)C)CC1 ZINC000928648725 619907619 /nfs/dbraw/zinc/90/76/19/619907619.db2.gz ARZGADMCLLTDCS-MRXNPFEDSA-N 0 1 290.451 2.973 20 30 CFEDMN CC#CCN(C)Cc1c[nH]nc1-c1c(F)cccc1F ZINC000897166877 619942306 /nfs/dbraw/zinc/94/23/06/619942306.db2.gz DQKQHJXKPIRXGS-UHFFFAOYSA-N 0 1 275.302 2.810 20 30 CFEDMN CC#CCN(C)Cc1ccc2c(c1)COC(C)(C)O2 ZINC000897167734 619942404 /nfs/dbraw/zinc/94/24/04/619942404.db2.gz QAYRPMXSFTWHLZ-UHFFFAOYSA-N 0 1 259.349 2.787 20 30 CFEDMN CC#CCN(C)Cc1c[nH]nc1-c1ccccc1F ZINC000897166966 619942648 /nfs/dbraw/zinc/94/26/48/619942648.db2.gz FOSXRYBIFVNLMZ-UHFFFAOYSA-N 0 1 257.312 2.671 20 30 CFEDMN C=C1CCC(C(=O)N[C@@H](C)c2n[nH]c(C(C)C)n2)CC1 ZINC000897257341 619961009 /nfs/dbraw/zinc/96/10/09/619961009.db2.gz ORWUANUJGQKCJJ-NSHDSACASA-N 0 1 276.384 2.852 20 30 CFEDMN C=CCCC[C@H](C)NC(=O)[C@H]1CCN1C(C)(C)C ZINC000897315597 619983147 /nfs/dbraw/zinc/98/31/47/619983147.db2.gz KMHDNMWGLCNUGI-QWHCGFSZSA-N 0 1 252.402 2.720 20 30 CFEDMN C=CCN(CCc1ccco1)C(=O)[C@@H]1CCN1C(C)(C)C ZINC000897337973 620001267 /nfs/dbraw/zinc/00/12/67/620001267.db2.gz IMZPGNQGVHDKJN-HNNXBMFYSA-N 0 1 290.407 2.710 20 30 CFEDMN C=C(Cl)CN(C)C1CCN(C(=O)c2cocc2C)CC1 ZINC000985581444 620005332 /nfs/dbraw/zinc/00/53/32/620005332.db2.gz KGDJZGGODVMFIO-UHFFFAOYSA-N 0 1 296.798 2.877 20 30 CFEDMN C=C(Cl)CN[C@@H]1CCN(C(=O)c2ccccc2C)[C@@H]1C ZINC000985908480 620051302 /nfs/dbraw/zinc/05/13/02/620051302.db2.gz LHICSSADZLPHND-UKRRQHHQSA-N 0 1 292.810 2.940 20 30 CFEDMN C=C(Cl)CN[C@H]1CCN(C(=O)c2ccoc2C)[C@H]1C ZINC000985935256 620053476 /nfs/dbraw/zinc/05/34/76/620053476.db2.gz OKZRFLXQOCZOAB-GWCFXTLKSA-N 0 1 282.771 2.533 20 30 CFEDMN C=C(Cl)CN[C@H]1CCN(C(=O)CCc2ccco2)[C@H]1C ZINC000985956686 620054508 /nfs/dbraw/zinc/05/45/08/620054508.db2.gz NNLIXHNELRIEMY-JSGCOSHPSA-N 0 1 296.798 2.544 20 30 CFEDMN C=C(Cl)CN[C@@H]1CCN(C(=O)c2coc(C)c2)[C@@H]1C ZINC000986198143 620075388 /nfs/dbraw/zinc/07/53/88/620075388.db2.gz NKDWTBUZMRLXPX-DGCLKSJQSA-N 0 1 282.771 2.533 20 30 CFEDMN C=C(Cl)CN[C@@H]1CCN(C(=O)CC2(C)CC2)[C@H]1C ZINC000986579484 620091355 /nfs/dbraw/zinc/09/13/55/620091355.db2.gz CZXPSMAONGHVNP-NWDGAFQWSA-N 0 1 270.804 2.508 20 30 CFEDMN C=C(Cl)CN[C@H]1CCN(C(=O)c2occc2CC)[C@@H]1C ZINC000986847531 620100445 /nfs/dbraw/zinc/10/04/45/620100445.db2.gz PNSPHXISXCAQGD-YPMHNXCESA-N 0 1 296.798 2.787 20 30 CFEDMN C[C@@H](NCc1cccc(C#N)n1)c1ccc2c(c1)CCO2 ZINC000897417942 620112585 /nfs/dbraw/zinc/11/25/85/620112585.db2.gz HCOPRFJUVCOFFK-GFCCVEGCSA-N 0 1 279.343 2.739 20 30 CFEDMN C=C(Cl)CN[C@@H]1C[C@H](C)N(C(=O)c2cccc(F)c2)C1 ZINC000987908985 620158465 /nfs/dbraw/zinc/15/84/65/620158465.db2.gz RGSHWDWWCDDUEV-SMDDNHRTSA-N 0 1 296.773 2.771 20 30 CFEDMN C=C(Cl)CN[C@@H]1C[C@@H](C)N(C(=O)c2cccc(F)c2)C1 ZINC000987908976 620158606 /nfs/dbraw/zinc/15/86/06/620158606.db2.gz RGSHWDWWCDDUEV-BXUZGUMPSA-N 0 1 296.773 2.771 20 30 CFEDMN C=C(Cl)CN[C@H]1C[C@H](C)N(C(=O)Cc2ccsc2)C1 ZINC000987914995 620158622 /nfs/dbraw/zinc/15/86/22/620158622.db2.gz HUVQYOVNKJMBNO-AAEUAGOBSA-N 0 1 298.839 2.622 20 30 CFEDMN C=C(Cl)CN[C@@H]1C[C@H](C)N(C(=O)c2ccc(C)o2)C1 ZINC000987951020 620159390 /nfs/dbraw/zinc/15/93/90/620159390.db2.gz KIYGJIUHNZPOPK-CMPLNLGQSA-N 0 1 282.771 2.533 20 30 CFEDMN C=C(Cl)CN[C@H]1C[C@H](C)N(C(=O)CC(C)(C)C)C1 ZINC000988048151 620160718 /nfs/dbraw/zinc/16/07/18/620160718.db2.gz HHJDEMORFKTDQU-RYUDHWBXSA-N 0 1 272.820 2.754 20 30 CFEDMN C=C(Cl)CN[C@@H]1C[C@H](C)N(C(=O)/C=C(/C)C2CC2)C1 ZINC000988196160 620162682 /nfs/dbraw/zinc/16/26/82/620162682.db2.gz CIOSZMNLWZRYIQ-WFTZOSOSSA-N 0 1 282.815 2.674 20 30 CFEDMN C=C(Cl)CN[C@H]1C[C@@H](C)N(C(=O)CCC2CCC2)C1 ZINC000988516695 620197227 /nfs/dbraw/zinc/19/72/27/620197227.db2.gz YZXLPNDULMMLNB-OCCSQVGLSA-N 0 1 284.831 2.898 20 30 CFEDMN C=C(Cl)CN[C@@H]1C[C@H](C)N(C(=O)Cc2ccccc2)C1 ZINC000989056970 620230508 /nfs/dbraw/zinc/23/05/08/620230508.db2.gz UPROLHBNNOKZHM-DZGCQCFKSA-N 0 1 292.810 2.561 20 30 CFEDMN C=C(Cl)CN[C@H]1C[C@@H](C)N(C(=O)CC2(C)CC2)C1 ZINC000989211766 620237401 /nfs/dbraw/zinc/23/74/01/620237401.db2.gz YBCUNMTVRUJHCR-NEPJUHHUSA-N 0 1 270.804 2.508 20 30 CFEDMN C#CCN1CCC(NC(=O)Nc2c(C)cc(C)cc2C)CC1 ZINC000929122256 620241859 /nfs/dbraw/zinc/24/18/59/620241859.db2.gz NTZVIRDTFGADLJ-UHFFFAOYSA-N 0 1 299.418 2.831 20 30 CFEDMN Cc1cc(C#N)cc(C)c1C(=O)Nc1nc(C2CCC2)n[nH]1 ZINC000897867581 620295252 /nfs/dbraw/zinc/29/52/52/620295252.db2.gz WTNBQIOZFXJCNS-UHFFFAOYSA-N 0 1 295.346 2.813 20 30 CFEDMN Cc1cc(C#N)cc(C)c1C(=O)Nc1n[nH]c(C2CCC2)n1 ZINC000897867581 620295253 /nfs/dbraw/zinc/29/52/53/620295253.db2.gz WTNBQIOZFXJCNS-UHFFFAOYSA-N 0 1 295.346 2.813 20 30 CFEDMN C=C1CCC(C(=O)N2CCN([C@H](C)CC)CC2)CC1 ZINC000897919017 620304299 /nfs/dbraw/zinc/30/42/99/620304299.db2.gz CTNLXKUPYOIKQH-CQSZACIVSA-N 0 1 264.413 2.676 20 30 CFEDMN C[C@H](c1cccc(C#N)c1)N(C)C(=O)[C@@H]1CCN1C(C)(C)C ZINC000898015358 620323241 /nfs/dbraw/zinc/32/32/41/620323241.db2.gz MRXRWBFIEAVAHL-CJNGLKHVSA-N 0 1 299.418 2.950 20 30 CFEDMN C=C(C)CN1CCCN(C(=O)C(C)(C)C(F)(F)F)CC1 ZINC000989527626 620380335 /nfs/dbraw/zinc/38/03/35/620380335.db2.gz RSBHWALEPMZOCI-UHFFFAOYSA-N 0 1 292.345 2.685 20 30 CFEDMN C=CCN1CCCN(C(=O)[C@H](C)Cc2ccccc2)CC1 ZINC000989714545 620387584 /nfs/dbraw/zinc/38/75/84/620387584.db2.gz NWCAIDSBHJNCSI-MRXNPFEDSA-N 0 1 286.419 2.586 20 30 CFEDMN C=C(C)CN1CCCN(C(=O)c2ccc(CF)cc2)CC1 ZINC000989760986 620390250 /nfs/dbraw/zinc/39/02/50/620390250.db2.gz MXJKJMPKTYEYEE-UHFFFAOYSA-N 0 1 290.382 2.880 20 30 CFEDMN C#CCCN1CC[C@@H](NC(=O)c2cscc2C(F)F)C1 ZINC001014477095 620405225 /nfs/dbraw/zinc/40/52/25/620405225.db2.gz GKOIZWWULSFCKG-SNVBAGLBSA-N 0 1 298.358 2.513 20 30 CFEDMN C=C1CCC(C(=O)N2C[C@@H](C)N(CC)[C@@H](C)C2)CC1 ZINC000898383934 620457032 /nfs/dbraw/zinc/45/70/32/620457032.db2.gz JEYHBZKRWZQESM-OKILXGFUSA-N 0 1 264.413 2.674 20 30 CFEDMN C=CC[C@@H](C(=O)N1CC(N2CCCC2)C1)c1ccccc1 ZINC000898603307 620481339 /nfs/dbraw/zinc/48/13/39/620481339.db2.gz LMIRKASCNHRPQQ-QGZVFWFLSA-N 0 1 284.403 2.653 20 30 CFEDMN C#CC[C@@H]1C(=O)N(c2ccccc2OC(F)(F)F)N=C1C ZINC000899352409 620547579 /nfs/dbraw/zinc/54/75/79/620547579.db2.gz IHPOYUYMAFOKTK-JTQLQIEISA-N 0 1 296.248 2.947 20 30 CFEDMN C#CCc1c(C)[nH]n(-c2ccccc2OC(F)(F)F)c1=O ZINC000899352409 620547581 /nfs/dbraw/zinc/54/75/81/620547581.db2.gz IHPOYUYMAFOKTK-JTQLQIEISA-N 0 1 296.248 2.947 20 30 CFEDMN C#CCCc1cc(=O)n([C@H]2CCc3c2cccc3F)[nH]1 ZINC000899356808 620550681 /nfs/dbraw/zinc/55/06/81/620550681.db2.gz UAYSSFJTZGQJLX-HNNXBMFYSA-N 0 1 270.307 2.815 20 30 CFEDMN CCn1cnc(/C=C\C(=O)c2cccc(CN(C)C)c2)c1 ZINC000899377803 620554464 /nfs/dbraw/zinc/55/44/64/620554464.db2.gz GYAJMELADHXXAA-HJWRWDBZSA-N 0 1 283.375 2.861 20 30 CFEDMN CC(C)N(Cc1cn(-c2ccccc2C#N)nn1)C(C)C ZINC000899712435 620593899 /nfs/dbraw/zinc/59/38/99/620593899.db2.gz OLOXCIQEKWUBCM-UHFFFAOYSA-N 0 1 283.379 2.758 20 30 CFEDMN C=CC[N@@H+](CC(=O)[O-])C[C@H](C)Cc1ccc(OC)c(F)c1 ZINC000901587524 620863275 /nfs/dbraw/zinc/86/32/75/620863275.db2.gz ZJSJUGNVHRDMAM-GFCCVEGCSA-N 0 1 295.354 2.586 20 30 CFEDMN C=CCC[C@@H]([NH2+]Cc1nc2c(s1)CCCC2)C(=O)[O-] ZINC000901690331 620895726 /nfs/dbraw/zinc/89/57/26/620895726.db2.gz NYCWACJXDUCTKY-LLVKDONJSA-N 0 1 280.393 2.531 20 30 CFEDMN C#CCCOc1ccc(C[N@H+](CCC(=O)[O-])C2CC2)cc1 ZINC000901971420 620948152 /nfs/dbraw/zinc/94/81/52/620948152.db2.gz KLSBMAJZPNSSSV-UHFFFAOYSA-N 0 1 287.359 2.528 20 30 CFEDMN C#CCCCCCC[N@@H+]1CC[C@H](C)C[C@@H]1C(=O)[O-] ZINC000902012629 620958034 /nfs/dbraw/zinc/95/80/34/620958034.db2.gz SHCJKWAQYAENPL-UONOGXRCSA-N 0 1 251.370 2.755 20 30 CFEDMN C#CCCOc1ccc(C[N@H+](CC(=O)[O-])C2CCC2)cc1 ZINC000902045398 620963143 /nfs/dbraw/zinc/96/31/43/620963143.db2.gz RGXOUBSKZXKLRI-UHFFFAOYSA-N 0 1 287.359 2.528 20 30 CFEDMN C=CC(C)(C)CCC[NH2+]C1CCN(CCCC(=O)[O-])CC1 ZINC000902280439 621013485 /nfs/dbraw/zinc/01/34/85/621013485.db2.gz GMVVKCGKLJBXPC-UHFFFAOYSA-N 0 1 296.455 2.898 20 30 CFEDMN C=C(C)C[N@H+](C)Cc1ccnc2c(C(=O)[O-])cccc12 ZINC000902489726 621113169 /nfs/dbraw/zinc/11/31/69/621113169.db2.gz NSMAXOSLVKNQPY-UHFFFAOYSA-N 0 1 270.332 2.941 20 30 CFEDMN CO[C@H](CN[C@H](C)c1cc(C#N)ccn1)c1ccccc1 ZINC000902758098 621166087 /nfs/dbraw/zinc/16/60/87/621166087.db2.gz CNMUWVDSDDXLRD-CXAGYDPISA-N 0 1 281.359 2.992 20 30 CFEDMN CO[C@@H](CN[C@@H](C)c1cc(C#N)ccn1)c1ccccc1 ZINC000902758105 621166121 /nfs/dbraw/zinc/16/61/21/621166121.db2.gz CNMUWVDSDDXLRD-GUYCJALGSA-N 0 1 281.359 2.992 20 30 CFEDMN C[C@@H](NCC[N@@H+](C)Cc1ccccc1)c1cc(C#N)ccn1 ZINC000902759786 621166501 /nfs/dbraw/zinc/16/65/01/621166501.db2.gz FHBYQWGXYHXJJI-OAHLLOKOSA-N 0 1 294.402 2.736 20 30 CFEDMN C[C@H](CC(=O)Nc1cccnc1Cl)NCC(C)(C)C#N ZINC000903099966 621252855 /nfs/dbraw/zinc/25/28/55/621252855.db2.gz DPQUGNWZTJGHSB-SNVBAGLBSA-N 0 1 294.786 2.591 20 30 CFEDMN C#C[C@H](N[C@@H](C)c1cnn(CC2CCC2)c1)[C@H]1CCCO1 ZINC000903152830 621269075 /nfs/dbraw/zinc/26/90/75/621269075.db2.gz PXHBFAZOMYNLAL-RRQGHBQHSA-N 0 1 287.407 2.515 20 30 CFEDMN C[C@H]1CCC[N@@H+](Cc2cc(Cl)cc(C#N)c2)[C@@H]1C(=O)[O-] ZINC000903407716 621363016 /nfs/dbraw/zinc/36/30/16/621363016.db2.gz KIKUYZMGLXEYCR-HZMBPMFUSA-N 0 1 292.766 2.897 20 30 CFEDMN C[C@H]1C[C@@H](C(=O)[O-])C[N@@H+](Cc2cc(Cl)cc(C#N)c2)C1 ZINC000903409385 621364283 /nfs/dbraw/zinc/36/42/83/621364283.db2.gz YPEMYVVWKCHJCW-GXFFZTMASA-N 0 1 292.766 2.754 20 30 CFEDMN C[C@@H]1C[C@H](C(=O)[O-])C[N@@H+](Cc2cc(Cl)cc(C#N)c2)C1 ZINC000903409386 621364409 /nfs/dbraw/zinc/36/44/09/621364409.db2.gz YPEMYVVWKCHJCW-MFKMUULPSA-N 0 1 292.766 2.754 20 30 CFEDMN C#CC[C@@H]1CCC[N@H+](Cc2cc(C(=O)[O-])ccc2OC)C1 ZINC000903602220 621399892 /nfs/dbraw/zinc/39/98/92/621399892.db2.gz MSBKLCAOMHGTAX-CYBMUJFWSA-N 0 1 287.359 2.629 20 30 CFEDMN C=CC[N@H+](Cc1cc(C(=O)[O-])ccc1OC)C1CC1 ZINC000903594143 621403077 /nfs/dbraw/zinc/40/30/77/621403077.db2.gz DPVDTBJEWAPVEC-UHFFFAOYSA-N 0 1 261.321 2.544 20 30 CFEDMN C=CCCCC[N@H+]1CCOc2cc(C(=O)[O-])ccc2C1 ZINC000903957514 621479114 /nfs/dbraw/zinc/47/91/14/621479114.db2.gz SRPJKSHRRMMGRI-UHFFFAOYSA-N 0 1 275.348 2.936 20 30 CFEDMN C=C(Br)C[N@@H+]1[C@H](C)C[C@H](C)[C@@H](C(=O)[O-])[C@@H]1C ZINC000903952462 621488100 /nfs/dbraw/zinc/48/81/00/621488100.db2.gz YUUFFNKMPNAJPS-CDEVMZEPSA-N 0 1 290.201 2.715 20 30 CFEDMN CN1CCC[C@@H]1C(=O)N(O)Cc1cccc2ccccc21 ZINC000904173094 621541892 /nfs/dbraw/zinc/54/18/92/621541892.db2.gz NAGVJHYUUPQODB-MRXNPFEDSA-N 0 1 284.359 2.652 20 30 CFEDMN Cc1ccc(C#N)cc1-c1nc([C@@H](N)C(C)C)no1 ZINC000904499022 621604379 /nfs/dbraw/zinc/60/43/79/621604379.db2.gz ACHAKLKUVYHYMI-LBPRGKRZSA-N 0 1 256.309 2.573 20 30 CFEDMN CC(C)n1cc(/C=C\C(=O)c2cccc(CN(C)C)c2)nn1 ZINC000905077793 621689748 /nfs/dbraw/zinc/68/97/48/621689748.db2.gz FOEPQQHZZPAWAH-HJWRWDBZSA-N 0 1 298.390 2.817 20 30 CFEDMN CCn1cc(/C=C/C(=O)c2cccc(CN(C)C)c2)cn1 ZINC000905078855 621690464 /nfs/dbraw/zinc/69/04/64/621690464.db2.gz XROSFHVJYVHXAH-CMDGGOBGSA-N 0 1 283.375 2.861 20 30 CFEDMN C=C(CC)C[N@@H+](C)[C@@H](C(=O)[O-])c1cccc(OC)c1 ZINC000905372556 621755830 /nfs/dbraw/zinc/75/58/30/621755830.db2.gz SOQFXICZVKRXHH-CQSZACIVSA-N 0 1 263.337 2.719 20 30 CFEDMN COc1cc(F)cc(N=NC2C[C@H]3CCC[N@H+](C2)C3)c1 ZINC000905453715 621775789 /nfs/dbraw/zinc/77/57/89/621775789.db2.gz BSUIBQMYAVZLBD-LLVKDONJSA-N 0 1 277.343 2.718 20 30 CFEDMN COc1cc(F)cc(N=NC2C[C@H]3CCCN(C2)C3)c1 ZINC000905453715 621775793 /nfs/dbraw/zinc/77/57/93/621775793.db2.gz BSUIBQMYAVZLBD-LLVKDONJSA-N 0 1 277.343 2.718 20 30 CFEDMN FC(F)(F)c1cc(N=NC2C[C@H]3CCC[N@H+](C2)C3)ccn1 ZINC000905492469 621785416 /nfs/dbraw/zinc/78/54/16/621785416.db2.gz KUPAMQFGACBWDR-SNVBAGLBSA-N 0 1 298.312 2.984 20 30 CFEDMN FC(F)(F)c1cc(N=NC2C[C@H]3CCCN(C2)C3)ccn1 ZINC000905492469 621785417 /nfs/dbraw/zinc/78/54/17/621785417.db2.gz KUPAMQFGACBWDR-SNVBAGLBSA-N 0 1 298.312 2.984 20 30 CFEDMN CC(C)(C)c1coc(C=NNc2ccnc3cccnc32)n1 ZINC000905497646 621785571 /nfs/dbraw/zinc/78/55/71/621785571.db2.gz NKRXVGSWSKZUEY-UHFFFAOYSA-N 0 1 295.346 2.783 20 30 CFEDMN C=CCCC[N@H+](CC)Cc1ccc(OCC(=O)[O-])cc1 ZINC000905796985 621865409 /nfs/dbraw/zinc/86/54/09/621865409.db2.gz ANCOMDCYTISQIK-UHFFFAOYSA-N 0 1 277.364 2.938 20 30 CFEDMN CC1(c2ccccc2)CN(C[C@@H](O)CC2(C#N)CCC2)C1 ZINC000905967716 621906744 /nfs/dbraw/zinc/90/67/44/621906744.db2.gz WIGQZBIJGUYCRU-INIZCTEOSA-N 0 1 284.403 2.705 20 30 CFEDMN C=CCC(F)(F)C(=O)N1CCN(C)C2(CCCCC2)C1 ZINC000908572453 622247427 /nfs/dbraw/zinc/24/74/27/622247427.db2.gz WOULKFKNDKWNLJ-UHFFFAOYSA-N 0 1 286.366 2.675 20 30 CFEDMN C=CCC1(C(=O)Nc2cccc3[nH]nnc32)CCC1 ZINC000908699396 622263557 /nfs/dbraw/zinc/26/35/57/622263557.db2.gz OGGWFPBVUZZKGX-UHFFFAOYSA-N 0 1 256.309 2.643 20 30 CFEDMN CC[C@H](C)N1CCN(C(=O)c2cc(C)c(C#N)c(C)c2)CC1 ZINC000909262649 622334007 /nfs/dbraw/zinc/33/40/07/622334007.db2.gz VHPYISIJVUERAD-HNNXBMFYSA-N 0 1 299.418 2.731 20 30 CFEDMN C[C@H](NN=Cc1ccc2c(c1)CCN2C)c1ccncc1 ZINC000819816248 622563275 /nfs/dbraw/zinc/56/32/75/622563275.db2.gz HVBIFAFFJAMQNI-ZDUSSCGKSA-N 0 1 280.375 2.759 20 30 CFEDMN C[C@H](NN=C1CCc2cc(N)ccc21)c1ccncc1 ZINC000819817666 622564377 /nfs/dbraw/zinc/56/43/77/622564377.db2.gz DBJYOXYZUWIXIL-NSHDSACASA-N 0 1 266.348 2.665 20 30 CFEDMN Cc1cccc2nc([C@H](C#N)C(=O)C=C[C@@H]3CCCO3)[nH]c21 ZINC000820086330 622609340 /nfs/dbraw/zinc/60/93/40/622609340.db2.gz ZFJQEILKZMJAPB-AHYBDNRGSA-N 0 1 295.342 2.783 20 30 CFEDMN C=C[C@H](CC)CC(=O)Nc1n[nH]c2cc(O)ccc21 ZINC000820176029 622621414 /nfs/dbraw/zinc/62/14/14/622621414.db2.gz WDYRPRPTTNJXCV-SECBINFHSA-N 0 1 259.309 2.809 20 30 CFEDMN Cc1cc(C(=O)NC[C@@H]2CC[N@H+]2C(C)(C)C)cc(C)c1C#N ZINC000912284386 622675105 /nfs/dbraw/zinc/67/51/05/622675105.db2.gz QYSRRCMVCNFCDW-HNNXBMFYSA-N 0 1 299.418 2.778 20 30 CFEDMN C=CCC1(NC(=O)c2cccc3nc(CO)[nH]c32)CCCC1 ZINC000912522008 622738979 /nfs/dbraw/zinc/73/89/79/622738979.db2.gz LCYOPLXHUWYLOZ-UHFFFAOYSA-N 0 1 299.374 2.674 20 30 CFEDMN Fc1cc2[nH]c(=NN=Cc3ccco3)[nH]c2cc1F ZINC000912817848 622783341 /nfs/dbraw/zinc/78/33/41/622783341.db2.gz YKLXRBGWNQZZBE-UHFFFAOYSA-N 0 1 262.219 2.880 20 30 CFEDMN CCCCCCCCCNC(=O)C1=NC(=O)N(C)C1 ZINC000820930254 622795752 /nfs/dbraw/zinc/79/57/52/622795752.db2.gz MTZILDPKYVMAMJ-UHFFFAOYSA-N 0 1 267.373 2.606 20 30 CFEDMN N#C[C@H]1CCC[C@@H](OC(=O)c2cc3[nH]cnc3cc2F)C1 ZINC000821375989 622908561 /nfs/dbraw/zinc/90/85/61/622908561.db2.gz KPRMKPYDZMWBEM-VHSXEESVSA-N 0 1 287.294 2.941 20 30 CFEDMN CC(C)C#CC(=O)N1CCc2nc[nH]c2[C@@H]1c1ccccc1 ZINC000913511431 622909054 /nfs/dbraw/zinc/90/90/54/622909054.db2.gz UCRKBWZTRYMQOB-SFHVURJKSA-N 0 1 293.370 2.543 20 30 CFEDMN CC(C)c1ccc([C@@H]2C[C@H]2C(=O)NCC#CCN(C)C)cc1 ZINC000913519075 622911147 /nfs/dbraw/zinc/91/11/47/622911147.db2.gz MJHCMMGROUIYNM-ZWKOTPCHSA-N 0 1 298.430 2.595 20 30 CFEDMN C=C[C@H](CC)CC(=O)N1CCN(CC)C[C@H]1CC ZINC000821782009 622974440 /nfs/dbraw/zinc/97/44/40/622974440.db2.gz RQJWYDHFYOKWQF-ZIAGYGMSSA-N 0 1 252.402 2.531 20 30 CFEDMN Cc1cc2ncn(CN3CCC(C#N)CC3)c2cc1C ZINC000057824171 623016478 /nfs/dbraw/zinc/01/64/78/623016478.db2.gz PUYJPLCIDHXPCV-UHFFFAOYSA-N 0 1 268.364 2.846 20 30 CFEDMN N#CC(C(=O)Cc1ccccc1F)c1ccccn1 ZINC000046439917 623075412 /nfs/dbraw/zinc/07/54/12/623075412.db2.gz JQHMOMQKNNJHEP-GFCCVEGCSA-N 0 1 254.264 2.640 20 30 CFEDMN CCCCCCCCN(C1CC1)[C@H]1CCS(=O)(=O)C1 ZINC000158058391 623087963 /nfs/dbraw/zinc/08/79/63/623087963.db2.gz YKTHQGSBJWTEHC-HNNXBMFYSA-N 0 1 287.469 2.998 20 30 CFEDMN C=CCNC(=O)C(C#N)C(=O)[C@@H](CC)CC1CCCC1 ZINC000842289487 623111419 /nfs/dbraw/zinc/11/14/19/623111419.db2.gz QKQQRLZXXAEKGS-UONOGXRCSA-N 0 1 276.380 2.604 20 30 CFEDMN CCN(Cc1cc2c(cc1O)CCC2)C[C@@H](C)C#N ZINC000171065560 623202559 /nfs/dbraw/zinc/20/25/59/623202559.db2.gz BIYCAJBXGAHUPJ-LBPRGKRZSA-N 0 1 258.365 2.862 20 30 CFEDMN COc1ccc(CNCc2ccc(OCC#N)cc2)cc1O ZINC000171769651 623241833 /nfs/dbraw/zinc/24/18/33/623241833.db2.gz LLSKBKYBZIJTMW-UHFFFAOYSA-N 0 1 298.342 2.593 20 30 CFEDMN COc1cccc(NC(=O)C(C#N)C(=O)[C@H](C)C(C)C)c1 ZINC000172020544 623254213 /nfs/dbraw/zinc/25/42/13/623254213.db2.gz XDTYTJJVBZPISJ-RISCZKNCSA-N 0 1 288.347 2.635 20 30 CFEDMN C=CC1(CC(=O)N2CC[C@H](c3nc[nH]n3)C2)CCCCC1 ZINC000823188424 623257325 /nfs/dbraw/zinc/25/73/25/623257325.db2.gz IAJRQFKFMQCZEU-ZDUSSCGKSA-N 0 1 288.395 2.647 20 30 CFEDMN C#CCN(CC(=O)N(CC)CC(=C)C)C1CCCCC1 ZINC000062364719 623266565 /nfs/dbraw/zinc/26/65/65/623266565.db2.gz MTAFKSBEWOQKNU-UHFFFAOYSA-N 0 1 276.424 2.679 20 30 CFEDMN C=C(Cl)CN[C@@H]1CN(C(=O)[C@@H]2CC2(C)C)CC1(C)C ZINC000995682047 625785949 /nfs/dbraw/zinc/78/59/49/625785949.db2.gz UWDVNFAZGSAURT-NWDGAFQWSA-N 0 1 284.831 2.612 20 30 CFEDMN Cc1csc([C@H](C#N)C(=O)CCC2CCOCC2)n1 ZINC000173898462 623373769 /nfs/dbraw/zinc/37/37/69/623373769.db2.gz HVYPBIXEYQUKBC-GFCCVEGCSA-N 0 1 278.377 2.835 20 30 CFEDMN C#CCSCCNCc1nc(C(C)(C)C)cs1 ZINC000231947623 623376787 /nfs/dbraw/zinc/37/67/87/623376787.db2.gz YHZRTODRYNYXJI-UHFFFAOYSA-N 0 1 268.451 2.897 20 30 CFEDMN CN(CC(=O)OC(C)(C)C)CC1CCC(C#N)CC1 ZINC000929463689 623441313 /nfs/dbraw/zinc/44/13/13/623441313.db2.gz ZPOHIGZLLVVOSL-UHFFFAOYSA-N 0 1 266.385 2.590 20 30 CFEDMN C=CCN1CCC[C@H](NC(=O)C(F)=C2CCCC2)C1 ZINC001007089163 623452458 /nfs/dbraw/zinc/45/24/58/623452458.db2.gz AXOUZHLMYPCKIQ-ZDUSSCGKSA-N 0 1 266.360 2.551 20 30 CFEDMN C#CCN1CC[C@@]2(NC(=O)c3ccoc3C3CC3)CCC[C@@H]12 ZINC000992140487 623467115 /nfs/dbraw/zinc/46/71/15/623467115.db2.gz WDCLRSYHANFJLF-QAPCUYQASA-N 0 1 298.386 2.517 20 30 CFEDMN C#C[C@H](NCc1cc2c(cc1OC)C[C@H](C)O2)C(C)C ZINC000312163676 623497039 /nfs/dbraw/zinc/49/70/39/623497039.db2.gz WQCMZZSPIZAIPN-WFASDCNBSA-N 0 1 273.376 2.766 20 30 CFEDMN C#CCCCC(=O)NC[C@H](c1ccc(Cl)cc1)N(C)C ZINC000757985110 623497483 /nfs/dbraw/zinc/49/74/83/623497483.db2.gz HVLHTCYAULXYIK-OAHLLOKOSA-N 0 1 292.810 2.862 20 30 CFEDMN N#C[C@@H]1CC[C@H](NCc2cc(F)cnc2Cl)C1 ZINC000824542853 623520917 /nfs/dbraw/zinc/52/09/17/623520917.db2.gz CMSAPBKFIKSMFP-KCJUWKMLSA-N 0 1 253.708 2.656 20 30 CFEDMN C=C(C)CN1CC[C@@H](NC(=O)c2ccc(C)c(F)c2)C1 ZINC001015168624 623529566 /nfs/dbraw/zinc/52/95/66/623529566.db2.gz ZUKDCNJVZPCVHE-CQSZACIVSA-N 0 1 276.355 2.514 20 30 CFEDMN C#CCN(Cc1ccnn1CC1CC1)C1CCCC1 ZINC000824902585 623584798 /nfs/dbraw/zinc/58/47/98/623584798.db2.gz YWIDGVJUAZGMPL-UHFFFAOYSA-N 0 1 257.381 2.671 20 30 CFEDMN C#Cc1cccc(CNCc2ccccc2OCCOC)c1 ZINC000825226526 623653576 /nfs/dbraw/zinc/65/35/76/623653576.db2.gz IGOCLGKXSFAVKW-UHFFFAOYSA-N 0 1 295.382 2.983 20 30 CFEDMN N#CC1(c2ccc(CN3CCCC4(C3)OCCO4)cc2)CC1 ZINC000825450553 623695807 /nfs/dbraw/zinc/69/58/07/623695807.db2.gz IFNYFCUWYYMRJF-UHFFFAOYSA-N 0 1 298.386 2.581 20 30 CFEDMN C[C@H]1CC(N=Nc2ccc(Cl)cc2[N+](=O)[O-])CN1C ZINC000761812334 623812198 /nfs/dbraw/zinc/81/21/98/623812198.db2.gz NRJBWBQLYZMGNX-QMMMGPOBSA-N 0 1 282.731 2.740 20 30 CFEDMN C=CCN1CCC[C@@H](NC(=O)c2sccc2C)[C@H]1C ZINC000992943668 623812991 /nfs/dbraw/zinc/81/29/91/623812991.db2.gz HDFMPIXBJDULLH-CHWSQXEVSA-N 0 1 278.421 2.825 20 30 CFEDMN CC(C)(C)C(=O)CCCC(=O)Nc1cc(C#N)ccc1O ZINC000826603358 623822366 /nfs/dbraw/zinc/82/23/66/623822366.db2.gz GFFVIGPXXGWZHG-UHFFFAOYSA-N 0 1 288.347 2.988 20 30 CFEDMN C=CCN1CCC[C@H](NC(=O)c2ccc(C)s2)[C@H]1C ZINC000992984832 623828297 /nfs/dbraw/zinc/82/82/97/623828297.db2.gz STWRUHWHQGNHTD-OLZOCXBDSA-N 0 1 278.421 2.825 20 30 CFEDMN C=CCN1CCC[C@@H](NC(=O)c2ccsc2)[C@@H]1C ZINC000993008174 623838972 /nfs/dbraw/zinc/83/89/72/623838972.db2.gz AFOYVZOOTGRLLA-WCQYABFASA-N 0 1 264.394 2.517 20 30 CFEDMN C=C(C)C[N@@H+]1CCC[C@H](NC(=O)c2ccc(C)o2)[C@H]1C ZINC000993006753 623841335 /nfs/dbraw/zinc/84/13/35/623841335.db2.gz VBOOSHNOVQDBTL-KGLIPLIRSA-N 0 1 276.380 2.747 20 30 CFEDMN C=C(C)CN1CCC[C@H](NC(=O)c2ccc(C)o2)[C@H]1C ZINC000993006753 623841339 /nfs/dbraw/zinc/84/13/39/623841339.db2.gz VBOOSHNOVQDBTL-KGLIPLIRSA-N 0 1 276.380 2.747 20 30 CFEDMN C#CCOc1ccccc1CN1CCC[C@H](CC#N)C1 ZINC000826862027 623895966 /nfs/dbraw/zinc/89/59/66/623895966.db2.gz RHCKZPLCCCIKHM-OAHLLOKOSA-N 0 1 268.360 2.824 20 30 CFEDMN CCO[C@@H]1C[C@H](N(C)Cc2cncc(C#N)c2)C12CCC2 ZINC000929840352 623911604 /nfs/dbraw/zinc/91/16/04/623911604.db2.gz DMTGMWPZAREASB-JKSUJKDBSA-N 0 1 285.391 2.733 20 30 CFEDMN Cc1nn(-c2ccccc2)c(N)c1C=NOC(C)C ZINC000835003023 623926953 /nfs/dbraw/zinc/92/69/53/623926953.db2.gz UVOAMFBPTWRAQM-UHFFFAOYSA-N 0 1 258.325 2.522 20 30 CFEDMN C=C(C)CN1CCC[C@@H](NC(=O)c2cnc(C)s2)[C@@H]1C ZINC000993135665 623943207 /nfs/dbraw/zinc/94/32/07/623943207.db2.gz XBKBCBABUQEKJZ-WCQYABFASA-N 0 1 293.436 2.610 20 30 CFEDMN CC(N=Nc1ccc(S(C)(=O)=O)cc1)c1ccccc1 ZINC000914834470 623944248 /nfs/dbraw/zinc/94/42/48/623944248.db2.gz HFVHJFUGWRDESP-UHFFFAOYSA-N 0 1 288.372 2.926 20 30 CFEDMN C[C@H]1CN(Cc2ccccc2)CC1=NOC[C@H]1CCOC1 ZINC000788033657 623964360 /nfs/dbraw/zinc/96/43/60/623964360.db2.gz JZYKOLMCVBVGAB-HOCLYGCPSA-N 0 1 288.391 2.547 20 30 CFEDMN C[C@@H]1CC(=NOC[C@@H]2CCOC2)CN1Cc1ccccc1 ZINC000788034658 623973462 /nfs/dbraw/zinc/97/34/62/623973462.db2.gz VAOINZNHGAHCFP-GDBMZVCRSA-N 0 1 288.391 2.690 20 30 CFEDMN COc1ccccc1NC(=O)C(C#N)=C([O-])c1ccc(C)o1 ZINC000193470189 624024405 /nfs/dbraw/zinc/02/44/05/624024405.db2.gz YRMMXNPCKVHEGO-LLVKDONJSA-N 0 1 298.298 2.558 20 30 CFEDMN COc1ccccc1NC(=O)C(C#N)C(=O)c1ccc(C)o1 ZINC000193470189 624024413 /nfs/dbraw/zinc/02/44/13/624024413.db2.gz YRMMXNPCKVHEGO-LLVKDONJSA-N 0 1 298.298 2.558 20 30 CFEDMN C#C[C@@H](NCc1cccc(O)c1Cl)C1CCOCC1 ZINC000827555431 624029765 /nfs/dbraw/zinc/02/97/65/624029765.db2.gz UALNYPSVYMNJOH-CYBMUJFWSA-N 0 1 279.767 2.564 20 30 CFEDMN CCCCCCCCCCC(=O)N[C@H]1CNC[C@@H]1C#N ZINC000834489104 625693970 /nfs/dbraw/zinc/69/39/70/625693970.db2.gz JQWFCPAVSJHTBM-GJZGRUSLSA-N 0 1 279.428 2.745 20 30 CFEDMN C=CCN1CCC[C@H](NC(=O)c2ccoc2CC)[C@H]1C ZINC000993264017 624060026 /nfs/dbraw/zinc/06/00/26/624060026.db2.gz LQFWCZYKTHQHIT-OCCSQVGLSA-N 0 1 276.380 2.611 20 30 CFEDMN C=C(C)CN1CC[C@@H](NC(=O)c2ccc3[nH]ccc3c2)C1 ZINC001015640047 624065419 /nfs/dbraw/zinc/06/54/19/624065419.db2.gz SYBBDOLJCKWIFX-OAHLLOKOSA-N 0 1 283.375 2.548 20 30 CFEDMN C=CCN1CCC[C@@H](NC(=O)c2cc3occc3[nH]2)[C@@H]1C ZINC000993379538 624128757 /nfs/dbraw/zinc/12/87/57/624128757.db2.gz KLAMUAQXRDQWCR-NWDGAFQWSA-N 0 1 287.363 2.530 20 30 CFEDMN C=CCN1CCC[C@@H](NC(=O)c2cccnc2C2CC2)[C@H]1C ZINC000993528859 624150635 /nfs/dbraw/zinc/15/06/35/624150635.db2.gz MUZXKFWWVGQZFX-CZUORRHYSA-N 0 1 299.418 2.728 20 30 CFEDMN C=CCN1CCC[C@H](NC(=O)c2cc[nH]c2C(C)C)[C@H]1C ZINC000993707942 624159445 /nfs/dbraw/zinc/15/94/45/624159445.db2.gz UPDIFINHPXNPNO-HIFRSBDPSA-N 0 1 289.423 2.907 20 30 CFEDMN C=CCN1CCC[C@H](NC(=O)c2coc(C(F)F)c2)[C@H]1C ZINC000993717643 624160941 /nfs/dbraw/zinc/16/09/41/624160941.db2.gz QQHXPNNOWRYFFM-PWSUYJOCSA-N 0 1 298.333 2.986 20 30 CFEDMN C=CCN1CCC[C@H](NC(=O)c2cc[nH]c2CCC)[C@H]1C ZINC000993701668 624162283 /nfs/dbraw/zinc/16/22/83/624162283.db2.gz JAJFVYKNWIBNQF-HIFRSBDPSA-N 0 1 289.423 2.736 20 30 CFEDMN C=CCN1CCC[C@H](NC(=O)c2ccoc2C2CC2)[C@@H]1C ZINC000993702615 624162340 /nfs/dbraw/zinc/16/23/40/624162340.db2.gz JABHOIOXZDTOQQ-WFASDCNBSA-N 0 1 288.391 2.926 20 30 CFEDMN C=CCN1CCC[C@@H](NC(=O)c2ccn(CC)c2C)[C@@H]1C ZINC000993703769 624163403 /nfs/dbraw/zinc/16/34/03/624163403.db2.gz NCCYDFVXWOQLHU-GOEBONIOSA-N 0 1 289.423 2.585 20 30 CFEDMN CC#CCN1CCC[C@H](NC(=O)CC2CC(C)(C)C2)[C@@H]1C ZINC000993740457 624163408 /nfs/dbraw/zinc/16/34/08/624163408.db2.gz HPFZKRDPIPQSRG-HOCLYGCPSA-N 0 1 290.451 2.805 20 30 CFEDMN C=CCN1CCC[C@H](NC(=O)c2cc(C)ccc2F)[C@@H]1C ZINC000993857224 624171179 /nfs/dbraw/zinc/17/11/79/624171179.db2.gz DEGFNRHGWXGVNT-BBRMVZONSA-N 0 1 290.382 2.903 20 30 CFEDMN C=CCN1CCC[C@H](NC(=O)c2cc3ccccn3c2)[C@@H]1C ZINC000993908749 624174106 /nfs/dbraw/zinc/17/41/06/624174106.db2.gz VIIVIQNPWMJHKP-YOEHRIQHSA-N 0 1 297.402 2.708 20 30 CFEDMN Clc1ccc(C=NNCCN2CCCCC2)s1 ZINC000915974174 624198735 /nfs/dbraw/zinc/19/87/35/624198735.db2.gz FIWFIFJKZSYHDS-UHFFFAOYSA-N 0 1 271.817 2.811 20 30 CFEDMN C=CCOc1cccc(C=NNCCN2CCCCC2)c1 ZINC000915973956 624198616 /nfs/dbraw/zinc/19/86/16/624198616.db2.gz OPVZKZAKOHFSET-UHFFFAOYSA-N 0 1 287.407 2.661 20 30 CFEDMN FC(F)Oc1ccc(C=NNCCN2CCCCC2)cc1 ZINC000915973181 624198880 /nfs/dbraw/zinc/19/88/80/624198880.db2.gz CIGWPQLSFSFXSF-UHFFFAOYSA-N 0 1 297.349 2.697 20 30 CFEDMN COc1ccc(C(C)=NNCCN2CCCCC2)cc1F ZINC000915974795 624199850 /nfs/dbraw/zinc/19/98/50/624199850.db2.gz LQFRFBDJXZGYFT-UHFFFAOYSA-N 0 1 293.386 2.634 20 30 CFEDMN CC(=NNCCN1CCCCC1)c1ccc(F)cc1F ZINC000915974910 624199873 /nfs/dbraw/zinc/19/98/73/624199873.db2.gz MAJNONLXNZZDBY-UHFFFAOYSA-N 0 1 281.350 2.764 20 30 CFEDMN CC(C)Oc1ccc(C=NNCCN2CCCCC2)cc1 ZINC000915975331 624199895 /nfs/dbraw/zinc/19/98/95/624199895.db2.gz SGWDJIJMANSAPZ-UHFFFAOYSA-N 0 1 289.423 2.883 20 30 CFEDMN CC(=NNCCN1CCCCC1)c1ccc(C)cc1O ZINC000915975672 624199967 /nfs/dbraw/zinc/19/99/67/624199967.db2.gz VPVBZAOVKBBWTH-UHFFFAOYSA-N 0 1 275.396 2.500 20 30 CFEDMN CC(=NNCCN1CCCCC1)c1ccc(C)s1 ZINC000915975353 624200011 /nfs/dbraw/zinc/20/00/11/624200011.db2.gz SSZGCILRFLGBFD-UHFFFAOYSA-N 0 1 265.426 2.856 20 30 CFEDMN COc1ccc(O)c(C=NNc2ccccc2[N+](=O)[O-])c1 ZINC000916249911 624231732 /nfs/dbraw/zinc/23/17/32/624231732.db2.gz CSRCDVCVENMTDM-UHFFFAOYSA-N 0 1 287.275 2.755 20 30 CFEDMN CC(=NNc1ccccn1)c1ccc([N+](=O)[O-])cc1 ZINC000916275994 624234692 /nfs/dbraw/zinc/23/46/92/624234692.db2.gz FGCFYKGPHGNBQX-UHFFFAOYSA-N 0 1 256.265 2.826 20 30 CFEDMN CC#CCN1CCC[C@@H](NC(=O)c2cccc(C)c2C)[C@H]1C ZINC000994327965 624275930 /nfs/dbraw/zinc/27/59/30/624275930.db2.gz MFKXODTYRYHMTJ-SJLPKXTDSA-N 0 1 298.430 2.909 20 30 CFEDMN C=CCN1CCC[C@@H](NC(=O)c2ccc(C3CC3)cn2)[C@H]1C ZINC000994324244 624276003 /nfs/dbraw/zinc/27/60/03/624276003.db2.gz FORCUONBZBXCMM-CZUORRHYSA-N 0 1 299.418 2.728 20 30 CFEDMN CC#CCN1CCC[C@@H](NC(=O)c2cccc(C)c2C)[C@@H]1C ZINC000994327961 624276050 /nfs/dbraw/zinc/27/60/50/624276050.db2.gz MFKXODTYRYHMTJ-FUHWJXTLSA-N 0 1 298.430 2.909 20 30 CFEDMN C=CCN1CCC[C@@H](NC(=O)c2cc(F)cc(F)c2)[C@H]1C ZINC000994343310 624276826 /nfs/dbraw/zinc/27/68/26/624276826.db2.gz CHCUUAKGDSUQQG-IAQYHMDHSA-N 0 1 294.345 2.734 20 30 CFEDMN C#CCC[N@@H+]1CCC[C@@H](NC(=O)c2ccc(C)cc2C)[C@@H]1C ZINC000994358343 624278475 /nfs/dbraw/zinc/27/84/75/624278475.db2.gz ZZVIZKJMKUENMI-FUHWJXTLSA-N 0 1 298.430 2.909 20 30 CFEDMN CCCCC(=O)C(C#N)C(=O)Nc1ccccc1OCC ZINC000916925119 624292114 /nfs/dbraw/zinc/29/21/14/624292114.db2.gz GNJITHRFZLWMTJ-LBPRGKRZSA-N 0 1 288.347 2.923 20 30 CFEDMN C[C@@H]1C[C@@H]1C(=O)C(C#N)C(=O)Nc1ccccc1Cl ZINC000916908264 624292936 /nfs/dbraw/zinc/29/29/36/624292936.db2.gz GQGQXJNCADHEHA-UTLUCORTSA-N 0 1 276.723 2.643 20 30 CFEDMN C=C(Br)CNCc1ccc(COC)cc1 ZINC000126771751 624296670 /nfs/dbraw/zinc/29/66/70/624296670.db2.gz RYVPPGHLBJBMMA-UHFFFAOYSA-N 0 1 270.170 2.831 20 30 CFEDMN C=CCN(CC(=O)N1[C@@H](C)CCC[C@@H]1C)C(C)C ZINC000917070356 624306574 /nfs/dbraw/zinc/30/65/74/624306574.db2.gz AOUNNSJMAPJMIM-KBPBESRZSA-N 0 1 252.402 2.672 20 30 CFEDMN C=CCN1CCC[C@H](NC(=O)c2c(C)nsc2C)[C@H]1C ZINC000994472931 624306843 /nfs/dbraw/zinc/30/68/43/624306843.db2.gz NOTJRMIJVPAHFS-YPMHNXCESA-N 0 1 293.436 2.529 20 30 CFEDMN C=CCN(CC(=O)NCC1(c2ccccc2)CC1)C(C)C ZINC000917068804 624307078 /nfs/dbraw/zinc/30/70/78/624307078.db2.gz CFNHOULBMGACNM-UHFFFAOYSA-N 0 1 286.419 2.731 20 30 CFEDMN C=CCN(CC(=O)NCCc1ccccc1C)C(C)C ZINC000917071559 624307791 /nfs/dbraw/zinc/30/77/91/624307791.db2.gz WAZWZQVAQKNRLE-UHFFFAOYSA-N 0 1 274.408 2.550 20 30 CFEDMN C=CCN1CCC[C@@H](NC(=O)c2cccc3c2CCC3)[C@H]1C ZINC000994512299 624317636 /nfs/dbraw/zinc/31/76/36/624317636.db2.gz UVEXDWCTXMNKEZ-RDTXWAMCSA-N 0 1 298.430 2.944 20 30 CFEDMN C=CCN(CC(=O)N(C)[C@@H]1CCCC[C@@H]1C)C(C)C ZINC000917167991 624320349 /nfs/dbraw/zinc/32/03/49/624320349.db2.gz LARCGHWIJAERDR-LSDHHAIUSA-N 0 1 266.429 2.920 20 30 CFEDMN C=CCN(CC(=O)N([C@@H](C)C1CC1)C1CC1)C(C)C ZINC000917167887 624320500 /nfs/dbraw/zinc/32/05/00/624320500.db2.gz GRYZBLUNMBNOMH-ZDUSSCGKSA-N 0 1 264.413 2.672 20 30 CFEDMN C=CCN(CC(=O)NCCC1CCCCC1)C(C)C ZINC000917168538 624320600 /nfs/dbraw/zinc/32/06/00/624320600.db2.gz VKOYGVSUGSRREA-UHFFFAOYSA-N 0 1 266.429 2.969 20 30 CFEDMN C=CCN1C(=O)N=NC1SCc1cccc(OC)c1C ZINC000917217794 624324246 /nfs/dbraw/zinc/32/42/46/624324246.db2.gz PDBUYWXKQWFTQL-UHFFFAOYSA-N 0 1 291.376 2.779 20 30 CFEDMN C=CCN1C(=O)N=NC1SCC(C)(C)CC(F)F ZINC000917217755 624324420 /nfs/dbraw/zinc/32/44/20/624324420.db2.gz NXOOXVJCDYTTHW-UHFFFAOYSA-N 0 1 277.340 2.943 20 30 CFEDMN Cc1cc(C=NN=c2[nH]c3ccccc3[nH]2)c(C)[nH]1 ZINC000917568846 624357365 /nfs/dbraw/zinc/35/73/65/624357365.db2.gz PSDWYUBXPPLQNT-UHFFFAOYSA-N 0 1 253.309 2.954 20 30 CFEDMN C[C@@H]1C[C@@H]1c1ccc(C=NNc2ncnc3nc[nH]c32)o1 ZINC000917556270 624359683 /nfs/dbraw/zinc/35/96/83/624359683.db2.gz YUCNXWKPIIUAEI-SCZZXKLOSA-N 0 1 282.307 2.515 20 30 CFEDMN C=CCCCCN1CCN(c2nc(F)c(F)cc2F)CC1 ZINC000829233643 624404585 /nfs/dbraw/zinc/40/45/85/624404585.db2.gz DFRUBZMKGOCBLL-UHFFFAOYSA-N 0 1 299.340 2.977 20 30 CFEDMN C#CC[C@H]1CCCN(Cc2nnc(-c3ccco3)o2)C1 ZINC000829768566 624527477 /nfs/dbraw/zinc/52/74/77/624527477.db2.gz GEDHUZRSRQTULY-LBPRGKRZSA-N 0 1 271.320 2.565 20 30 CFEDMN C#CC[C@H]1CCCN(CC(=O)N[C@H](C)c2cccs2)C1 ZINC000829768329 624528134 /nfs/dbraw/zinc/52/81/34/624528134.db2.gz CBEDWGKSTGHGEH-KGLIPLIRSA-N 0 1 290.432 2.661 20 30 CFEDMN C#CC[C@H]1CCCN(Cc2cc([N+](=O)[O-])ccc2OC)C1 ZINC000829768531 624528234 /nfs/dbraw/zinc/52/82/34/624528234.db2.gz FMJWEEQGNOWYIF-ZDUSSCGKSA-N 0 1 288.347 2.839 20 30 CFEDMN C#CC[C@@H]1CCCN(Cc2csc([N+](=O)[O-])c2)C1 ZINC000829779625 624534525 /nfs/dbraw/zinc/53/45/25/624534525.db2.gz XQBLIILPONWBOW-LLVKDONJSA-N 0 1 264.350 2.892 20 30 CFEDMN C#CC[C@H]1CCCN(Cc2nc3cc([N+](=O)[O-])ccc3o2)C1 ZINC000829783716 624536547 /nfs/dbraw/zinc/53/65/47/624536547.db2.gz BAHZKISZCOTGRX-LBPRGKRZSA-N 0 1 299.330 2.971 20 30 CFEDMN COc1ccc(C(=O)/C=C\c2ncc(Cl)n2C)c(O)c1 ZINC000033707216 624537384 /nfs/dbraw/zinc/53/73/84/624537384.db2.gz RLAJQVHYFZIVGM-WAYWQWQTSA-N 0 1 292.722 2.684 20 30 CFEDMN C#CC[C@H]1CCCN(CC(=O)Nc2cc(C)cc(C)c2)C1 ZINC000829788722 624538087 /nfs/dbraw/zinc/53/80/87/624538087.db2.gz FISAMIDMCNNHFN-INIZCTEOSA-N 0 1 284.403 2.977 20 30 CFEDMN C#CC[C@@H]1CCCN(CC(=O)Nc2ccc(F)c(F)c2)C1 ZINC000829789099 624538467 /nfs/dbraw/zinc/53/84/67/624538467.db2.gz NZHACBGDKMQNFI-GFCCVEGCSA-N 0 1 292.329 2.639 20 30 CFEDMN C#CC[C@@H]1CCCN(Cc2nnc(-c3ccccc3)n2C)C1 ZINC000829805511 624547198 /nfs/dbraw/zinc/54/71/98/624547198.db2.gz UMQRKMAJPIMRPN-OAHLLOKOSA-N 0 1 294.402 2.717 20 30 CFEDMN C#CCN1CCC(NC(=O)[C@]2(C)CCC(C)=C(C)C2)CC1 ZINC000830162095 624650749 /nfs/dbraw/zinc/65/07/49/624650749.db2.gz FCFQIFLJTFYFAR-GOSISDBHSA-N 0 1 288.435 2.727 20 30 CFEDMN C#CCN1CCC(NC(=O)c2ccccc2C2CCC2)CC1 ZINC000830162350 624651069 /nfs/dbraw/zinc/65/10/69/624651069.db2.gz IYYYNLGIAMVLII-UHFFFAOYSA-N 0 1 296.414 2.782 20 30 CFEDMN C#CC1CCN(CC(=O)N[C@H](C)CCCC(C)C)CC1 ZINC000830302048 624703859 /nfs/dbraw/zinc/70/38/59/624703859.db2.gz YZPNZDZBRBFCKG-OAHLLOKOSA-N 0 1 278.440 2.663 20 30 CFEDMN C#CC1CCN([C@@H](C)C(=O)N2CCCc3ccccc32)CC1 ZINC000830305142 624704846 /nfs/dbraw/zinc/70/48/46/624704846.db2.gz HJFODBCOBAJBKH-HNNXBMFYSA-N 0 1 296.414 2.700 20 30 CFEDMN C#CC1CCN([C@@H](C)C(=O)Nc2c(C)cccc2C)CC1 ZINC000830316371 624705879 /nfs/dbraw/zinc/70/58/79/624705879.db2.gz POBJVFBBVXXIIQ-HNNXBMFYSA-N 0 1 284.403 2.976 20 30 CFEDMN C#CC1CCN([C@@H](C)C(=O)Nc2ccc(C)cc2C)CC1 ZINC000830316027 624706239 /nfs/dbraw/zinc/70/62/39/624706239.db2.gz BJMWYPQYHHZTFH-HNNXBMFYSA-N 0 1 284.403 2.976 20 30 CFEDMN C#CC1CCN([C@H](C)C(=O)Nc2ccc(C)cc2C)CC1 ZINC000830316028 624706470 /nfs/dbraw/zinc/70/64/70/624706470.db2.gz BJMWYPQYHHZTFH-OAHLLOKOSA-N 0 1 284.403 2.976 20 30 CFEDMN C[C@@H]1CCCC[C@@H]1CC(=O)[C@H](C#N)C(=O)NC1CCCC1 ZINC000920790659 624771840 /nfs/dbraw/zinc/77/18/40/624771840.db2.gz FVVWNOUUWBGTGN-NFAWXSAZSA-N 0 1 290.407 2.970 20 30 CFEDMN CCn1cc(C(C)=NNc2nc3ccccc3n2C)cn1 ZINC000920987364 624794718 /nfs/dbraw/zinc/79/47/18/624794718.db2.gz IWARTRUUGZJRPH-UHFFFAOYSA-N 0 1 282.351 2.626 20 30 CFEDMN C#C[C@@H]1CCCC[C@@H]1OC(=O)c1ccc2cncn2c1 ZINC000851538228 634419668 /nfs/dbraw/zinc/41/96/68/634419668.db2.gz VOLYODXPLNRNGJ-DOMZBBRYSA-N 0 1 268.316 2.683 20 30 CFEDMN C=C1CCC(CNC(=O)Cc2[nH]nc3ccccc32)CC1 ZINC000831001518 624951162 /nfs/dbraw/zinc/95/11/62/624951162.db2.gz DCNBBQQUPBKPGK-UHFFFAOYSA-N 0 1 283.375 2.968 20 30 CFEDMN N#Cc1ccc(O)c(NC(=O)[C@@H]2CCC[C@H]3C[C@H]32)c1 ZINC000831272156 624980432 /nfs/dbraw/zinc/98/04/32/624980432.db2.gz RQFXCYWKFLCZOD-QJPTWQEYSA-N 0 1 256.305 2.639 20 30 CFEDMN C#CCCCCC(=O)NCCc1nc2ccc(F)cc2[nH]1 ZINC000180313930 625012756 /nfs/dbraw/zinc/01/27/56/625012756.db2.gz PONRYFAFUVTZGJ-UHFFFAOYSA-N 0 1 287.338 2.554 20 30 CFEDMN C#CCCCCC(=O)C(C#N)C(=O)Nc1cccc(OC)c1 ZINC000180736565 625037647 /nfs/dbraw/zinc/03/76/47/625037647.db2.gz KTMUIRHWIDGZGA-HNNXBMFYSA-N 0 1 298.342 2.536 20 30 CFEDMN CC(C)C#CC(=O)N1CCC[C@H](c2cc(C(C)C)[nH]n2)C1 ZINC000831885772 625166691 /nfs/dbraw/zinc/16/66/91/625166691.db2.gz WUHKJNODZMTBNF-AWEZNQCLSA-N 0 1 287.407 2.899 20 30 CFEDMN Cc1[nH]ncc1C1CCN(C(=O)C#Cc2cccs2)CC1 ZINC000832008219 625203714 /nfs/dbraw/zinc/20/37/14/625203714.db2.gz YDBKTKWDGIQKGG-UHFFFAOYSA-N 0 1 299.399 2.537 20 30 CFEDMN CC(C)(C)C#CC(=O)Nc1ccc(F)c(-c2nc[nH]n2)c1 ZINC000834687322 625784471 /nfs/dbraw/zinc/78/44/71/625784471.db2.gz QGRNDFCTWDGRKU-UHFFFAOYSA-N 0 1 286.310 2.599 20 30 CFEDMN C=C(Cl)CN[C@H]1CN(C(=O)c2[nH]ccc2C)CC1(C)C ZINC000995754381 625853608 /nfs/dbraw/zinc/85/36/08/625853608.db2.gz OTGFEYVGRNAVLI-LBPRGKRZSA-N 0 1 295.814 2.516 20 30 CFEDMN C=C(Cl)CN[C@@H]1CN(C(=O)[C@@]2(C)C=CCC2)CC1(C)C ZINC000996164707 625882904 /nfs/dbraw/zinc/88/29/04/625882904.db2.gz XJXPVCFMYMRIAF-CJNGLKHVSA-N 0 1 296.842 2.922 20 30 CFEDMN C#Cc1cccc(CN[C@@H](C)c2cn(C)nc2C)c1 ZINC000834904163 625916991 /nfs/dbraw/zinc/91/69/91/625916991.db2.gz VWBUGAMYKZQZDG-LBPRGKRZSA-N 0 1 253.349 2.561 20 30 CFEDMN CCn1nc(C)c(CN=Nc2c(F)cccc2Cl)n1 ZINC000834970183 625937548 /nfs/dbraw/zinc/93/75/48/625937548.db2.gz UEPVLFMSWYEOHU-UHFFFAOYSA-N 0 1 281.722 2.845 20 30 CFEDMN CC1(C)CCC[C@H]1NN=C1CCCc2nc(N)ccc21 ZINC000834978536 625942588 /nfs/dbraw/zinc/94/25/88/625942588.db2.gz VIOOMRNEVZOVLF-CQSZACIVSA-N 0 1 272.396 2.873 20 30 CFEDMN FC(F)(F)c1ccnc(N=NC2CN3CCC2CC3)c1 ZINC000834984078 625945750 /nfs/dbraw/zinc/94/57/50/625945750.db2.gz NFOYHYMIRDEENI-UHFFFAOYSA-N 0 1 284.285 2.594 20 30 CFEDMN C[C@H]1CC(N=Nc2cc(C(F)(F)F)ccn2)CN1C ZINC000834983536 625945846 /nfs/dbraw/zinc/94/58/46/625945846.db2.gz BKISGMPSJOBYKY-QMMMGPOBSA-N 0 1 272.274 2.592 20 30 CFEDMN N#Cc1cc(CNCc2ccnc(N3CCCC3)c2)cs1 ZINC000921517916 625965252 /nfs/dbraw/zinc/96/52/52/625965252.db2.gz HPPSWUOFBINDLK-UHFFFAOYSA-N 0 1 298.415 2.905 20 30 CFEDMN N#Cc1cccc(CNCc2ccnn2C2CCC2)c1 ZINC000921521957 625972795 /nfs/dbraw/zinc/97/27/95/625972795.db2.gz PBYXBCBNCZJIDQ-UHFFFAOYSA-N 0 1 266.348 2.770 20 30 CFEDMN C=C1CCC(CNC(=O)N[C@@H](C)Cc2cc(C)[nH]n2)CC1 ZINC000921534872 625979664 /nfs/dbraw/zinc/97/96/64/625979664.db2.gz VKGCMINLANYGEZ-LBPRGKRZSA-N 0 1 290.411 2.695 20 30 CFEDMN C=C(Cl)CN[C@@H]1CCCN(C(=O)CCc2ccco2)C1 ZINC000998510653 626054266 /nfs/dbraw/zinc/05/42/66/626054266.db2.gz BILWZVYKXKEBHZ-CYBMUJFWSA-N 0 1 296.798 2.545 20 30 CFEDMN CC[C@H](C)C(=O)N1CCC[C@@H](NCc2ccccc2C#N)C1 ZINC000998587258 626057743 /nfs/dbraw/zinc/05/77/43/626057743.db2.gz JQEURACYSDIXFR-WMLDXEAASA-N 0 1 299.418 2.685 20 30 CFEDMN C=C(Cl)CN[C@H]1CCCN(C(=O)C(C)=C2CCC2)C1 ZINC000999116335 626066384 /nfs/dbraw/zinc/06/63/84/626066384.db2.gz GRCDNKZUBXYCGH-AWEZNQCLSA-N 0 1 282.815 2.820 20 30 CFEDMN C=C(Cl)CN[C@H]1CCCN(C(=O)[C@@H](C)C2CCC2)C1 ZINC000999472853 626074520 /nfs/dbraw/zinc/07/45/20/626074520.db2.gz DUCDLAWNZLMKIX-JSGCOSHPSA-N 0 1 284.831 2.756 20 30 CFEDMN C=C(Cl)CN[C@@H]1CCCN(C(=O)C(C)(C)C(=C)C)C1 ZINC000999876572 626082896 /nfs/dbraw/zinc/08/28/96/626082896.db2.gz OTBZPMQGDJYMGG-CYBMUJFWSA-N 0 1 284.831 2.922 20 30 CFEDMN C=C(C)CN1CC[C@@H](NC(=O)c2cc3ccccc3o2)C1 ZINC001016175655 626091093 /nfs/dbraw/zinc/09/10/93/626091093.db2.gz XSLPVEZBOKESRZ-CQSZACIVSA-N 0 1 284.359 2.813 20 30 CFEDMN C=CCOc1ccccc1CNCc1cnn(CCF)c1 ZINC000921723552 626098659 /nfs/dbraw/zinc/09/86/59/626098659.db2.gz AUYWNHDFYMZDBM-UHFFFAOYSA-N 0 1 289.354 2.707 20 30 CFEDMN C=C(Cl)CN[C@H]1CCCN(C(=O)C[C@@H](C)C2CC2)C1 ZINC001001018078 626139018 /nfs/dbraw/zinc/13/90/18/626139018.db2.gz YRSCJFFOTBCZNY-RISCZKNCSA-N 0 1 284.831 2.756 20 30 CFEDMN C#CCN1CC=C(CNC(=O)[C@@H]2CCCC[C@@H]2CC)CC1 ZINC001001324900 626154904 /nfs/dbraw/zinc/15/49/04/626154904.db2.gz ISTJPYLZCZJDGA-DLBZAZTESA-N 0 1 288.435 2.584 20 30 CFEDMN CC#CCN1CC=C(CNC(=O)[C@H]2CC[C@H](C)CC2)CC1 ZINC001001387342 626156753 /nfs/dbraw/zinc/15/67/53/626156753.db2.gz SMKFMTAKULSSCE-JCNLHEQBSA-N 0 1 288.435 2.584 20 30 CFEDMN C#Cc1ccc(CNCc2cnn(CC3CCC3)c2)cc1 ZINC000922155373 626220505 /nfs/dbraw/zinc/22/05/05/626220505.db2.gz XSRLGNFPOFFFNM-UHFFFAOYSA-N 0 1 279.387 2.954 20 30 CFEDMN N#Cc1ccc(CNCc2cnn(CC3CCC3)c2)s1 ZINC000922191810 626236683 /nfs/dbraw/zinc/23/66/83/626236683.db2.gz KZVINWDYWLFARD-UHFFFAOYSA-N 0 1 286.404 2.906 20 30 CFEDMN C[C@H](O)[C@@H](NCc1csc(C#N)c1)c1ccccc1 ZINC000922268436 626256680 /nfs/dbraw/zinc/25/66/80/626256680.db2.gz SCJZLCKOZGARPE-XHDPSFHLSA-N 0 1 272.373 2.831 20 30 CFEDMN N#CC1CCC(COC(=O)Cc2[nH]nc3ccccc32)CC1 ZINC000922378793 626281002 /nfs/dbraw/zinc/28/10/02/626281002.db2.gz PVXFCFRWRFMDER-UHFFFAOYSA-N 0 1 297.358 2.979 20 30 CFEDMN CC#CCN1CCC(NC(=O)[C@H]2CCCCC2(C)C)CC1 ZINC001004233646 626315767 /nfs/dbraw/zinc/31/57/67/626315767.db2.gz VUKODBUZDLJENC-MRXNPFEDSA-N 0 1 290.451 2.807 20 30 CFEDMN CC#CCN1CCC(NC(=O)C2(C)CCC(C)CC2)CC1 ZINC001004241098 626317733 /nfs/dbraw/zinc/31/77/33/626317733.db2.gz IQHJEMXDTIAEOA-UHFFFAOYSA-N 0 1 290.451 2.807 20 30 CFEDMN Cc1ccc(CNCc2cn(C)nc2C(F)F)cc1C#N ZINC000922758832 626359653 /nfs/dbraw/zinc/35/96/53/626359653.db2.gz AVFWMDPBQBJEDK-UHFFFAOYSA-N 0 1 290.317 2.828 20 30 CFEDMN Cc1ccc(CNCc2cnn(CC(F)F)c2)cc1C#N ZINC000922759410 626359763 /nfs/dbraw/zinc/35/97/63/626359763.db2.gz HHEWSISGBGWCKC-UHFFFAOYSA-N 0 1 290.317 2.618 20 30 CFEDMN C=C1CCC(CNC(=O)NCc2ccc3cncn3c2)CC1 ZINC000922834496 626375861 /nfs/dbraw/zinc/37/58/61/626375861.db2.gz NJIUPQXGQYMLDR-UHFFFAOYSA-N 0 1 298.390 2.880 20 30 CFEDMN C=C(C)CN1CC[C@@H](NC(=O)c2cc3c(o2)CCCC3)C1 ZINC001014683048 626388300 /nfs/dbraw/zinc/38/83/00/626388300.db2.gz QZEDGEMEMFRWBJ-CQSZACIVSA-N 0 1 288.391 2.539 20 30 CFEDMN CC#CCN1CCC(N(C)C(=O)c2ccccc2C)CC1 ZINC001005059954 626407751 /nfs/dbraw/zinc/40/77/51/626407751.db2.gz CPRHXGKUSCSSAZ-UHFFFAOYSA-N 0 1 284.403 2.555 20 30 CFEDMN CC#CCN1CCC(N(C)C(=O)C2C(C)(C)C2(C)C)CC1 ZINC001005232012 626413185 /nfs/dbraw/zinc/41/31/85/626413185.db2.gz MNPQBQBAQDLVAU-UHFFFAOYSA-N 0 1 290.451 2.615 20 30 CFEDMN C#CCN1CCC(N(C)C(=O)C2(C)CCCCCC2)CC1 ZINC001005508115 626415999 /nfs/dbraw/zinc/41/59/99/626415999.db2.gz LEAXORMVYDWYKR-UHFFFAOYSA-N 0 1 290.451 2.903 20 30 CFEDMN CC#CCN1CCC(N(C)C(=O)C23CCC(CC2)C3)CC1 ZINC001005588577 626417932 /nfs/dbraw/zinc/41/79/32/626417932.db2.gz MDHOIUVHCXVUCR-UHFFFAOYSA-N 0 1 288.435 2.513 20 30 CFEDMN N#Cc1csc(CNC[C@]2(c3ccccc3)CCCO2)n1 ZINC000922962668 626434531 /nfs/dbraw/zinc/43/45/31/626434531.db2.gz SVQKBGCSCKRYSM-INIZCTEOSA-N 0 1 299.399 2.810 20 30 CFEDMN CC#CCN1CCC(N(C)C(=O)[C@@H]2CCCC2(C)C)CC1 ZINC001005847186 626435387 /nfs/dbraw/zinc/43/53/87/626435387.db2.gz HHURPFMVTUWLPW-INIZCTEOSA-N 0 1 290.451 2.759 20 30 CFEDMN C#CCC1(NCc2nc(C#N)cs2)CCCCC1 ZINC000922981590 626438778 /nfs/dbraw/zinc/43/87/78/626438778.db2.gz PZZNOWMEMPRIJQ-UHFFFAOYSA-N 0 1 259.378 2.831 20 30 CFEDMN CC#CCN1CCC(N(C)C(=O)[C@H]2CCCC[C@@H]2C)CC1 ZINC001005901497 626448281 /nfs/dbraw/zinc/44/82/81/626448281.db2.gz LNNMQQMLVUWQFE-RDJZCZTQSA-N 0 1 290.451 2.759 20 30 CFEDMN CC#CCN1CCC(N(C)C(=O)[C@@]23C[C@@H]2CCCC3)CC1 ZINC001005945784 626453033 /nfs/dbraw/zinc/45/30/33/626453033.db2.gz HIALMRZJHAXUFV-YJBOKZPZSA-N 0 1 288.435 2.513 20 30 CFEDMN CC#CCN1CCC(N(C)C(=O)[C@@H]2CCC[C@@H]2CC)CC1 ZINC001005948742 626453462 /nfs/dbraw/zinc/45/34/62/626453462.db2.gz PJTONXRNGIWLNO-DOTOQJQBSA-N 0 1 290.451 2.759 20 30 CFEDMN C[C@@H](C(=O)C(C#N)C(=O)Nc1ccccc1)C1CCC1 ZINC000838785880 626506764 /nfs/dbraw/zinc/50/67/64/626506764.db2.gz CABUUMZWMLWQCT-BXUZGUMPSA-N 0 1 270.332 2.770 20 30 CFEDMN C[C@@H](C(=O)C(C#N)C(=O)NC1CCCCC1)C1CCC1 ZINC000838787983 626506810 /nfs/dbraw/zinc/50/68/10/626506810.db2.gz QSHFMJKALOTWKS-RISCZKNCSA-N 0 1 276.380 2.580 20 30 CFEDMN C#CC[C@@H](NCc1cc(=O)[nH]c(C2CC2)n1)c1ccccc1 ZINC000838913461 626513575 /nfs/dbraw/zinc/51/35/75/626513575.db2.gz SFVGESQQBDKFSQ-MRXNPFEDSA-N 0 1 293.370 2.914 20 30 CFEDMN N#CCOc1ccc(CNCc2ccc3c(n2)CCC3)cc1 ZINC000838940003 626516910 /nfs/dbraw/zinc/51/69/10/626516910.db2.gz FNFSUPMECSQGJL-UHFFFAOYSA-N 0 1 293.370 2.762 20 30 CFEDMN COc1ccc(CNCc2ccc3c(n2)CCC3)cc1C#N ZINC000838978839 626518183 /nfs/dbraw/zinc/51/81/83/626518183.db2.gz FHLVBLZGWDCTFC-UHFFFAOYSA-N 0 1 293.370 2.740 20 30 CFEDMN N#C[C@H]1CCC[C@@H](OC(=O)c2cccc(-c3nnc[nH]3)c2)C1 ZINC000839062101 626522508 /nfs/dbraw/zinc/52/25/08/626522508.db2.gz KRJBNKPDEJSSOJ-SMDDNHRTSA-N 0 1 296.330 2.711 20 30 CFEDMN CC(C)(C)N1CC[C@](F)(C(=O)O[C@@H]2CCCC[C@H]2C#N)C1 ZINC000839083113 626523826 /nfs/dbraw/zinc/52/38/26/626523826.db2.gz DLYNCARKGPXSHA-WOSRLPQWSA-N 0 1 296.386 2.824 20 30 CFEDMN CC(C)(C)N1CC[C@@](F)(C(=O)O[C@@H]2CCCC[C@H]2C#N)C1 ZINC000839083115 626523884 /nfs/dbraw/zinc/52/38/84/626523884.db2.gz DLYNCARKGPXSHA-ZENOOKHLSA-N 0 1 296.386 2.824 20 30 CFEDMN N#C[C@@H]1CCCC[C@H]1OC(=O)c1cccc(-c2nnc[nH]2)c1 ZINC000839083072 626523888 /nfs/dbraw/zinc/52/38/88/626523888.db2.gz CYARIBIVVQFHFT-UONOGXRCSA-N 0 1 296.330 2.711 20 30 CFEDMN CCc1nn(C)c(Cl)c1CNCC(C)(C)CC#N ZINC000839163230 626531522 /nfs/dbraw/zinc/53/15/22/626531522.db2.gz KWRVFDYDERGWKZ-UHFFFAOYSA-N 0 1 268.792 2.665 20 30 CFEDMN C#CCN1CCC(C(=O)N(c2ccccc2)C2CC2)CC1 ZINC000839422186 626535894 /nfs/dbraw/zinc/53/58/94/626535894.db2.gz AUJHPCQIYUNESN-UHFFFAOYSA-N 0 1 282.387 2.527 20 30 CFEDMN CCOCCCCCC(=O)Nc1cc(C#N)ccc1O ZINC000867013680 626539937 /nfs/dbraw/zinc/53/99/37/626539937.db2.gz UZDKUPZUTGQOOO-UHFFFAOYSA-N 0 1 276.336 2.799 20 30 CFEDMN C#C[C@H](NCc1cnc2ccc(C)cc2c1)[C@@H]1CCCO1 ZINC000839564414 626546746 /nfs/dbraw/zinc/54/67/46/626546746.db2.gz RAEVZXGKWXVGQD-WMZOPIPTSA-N 0 1 280.371 2.814 20 30 CFEDMN Cc1n[nH]c(C)c1/C=C\C(=O)c1ccc(C)cc1O ZINC000757476844 626553332 /nfs/dbraw/zinc/55/33/32/626553332.db2.gz UTBHQEJBFVZTDO-SREVYHEPSA-N 0 1 256.305 2.937 20 30 CFEDMN Cc1ccc(N=NC2C[C@H](C)N(Cc3ccccc3)C2)nn1 ZINC000757574313 626555628 /nfs/dbraw/zinc/55/56/28/626555628.db2.gz IYASXRNJVGCHPM-AWEZNQCLSA-N 0 1 295.390 2.847 20 30 CFEDMN Cc1cc(Cl)cc(CNCC(C)(C)C#N)c1O ZINC000757906100 626567278 /nfs/dbraw/zinc/56/72/78/626567278.db2.gz KKIWKAOIMBBBQD-UHFFFAOYSA-N 0 1 252.745 2.993 20 30 CFEDMN C[C@@H](CC(=O)Nc1ccc(F)cc1)NCC(C)(C)C#N ZINC000757905408 626567309 /nfs/dbraw/zinc/56/73/09/626567309.db2.gz SELFWVSKXSGFPI-NSHDSACASA-N 0 1 277.343 2.682 20 30 CFEDMN Cc1nnc(C)n1N=C/C=C/c1ccc(F)cc1F ZINC000758083312 626575809 /nfs/dbraw/zinc/57/58/09/626575809.db2.gz IPXROVNUVAHXGF-VFVPTBDISA-N 0 1 262.263 2.720 20 30 CFEDMN CC(=NNC1CC1)c1cc(Br)c(F)cc1O ZINC000758134356 626578542 /nfs/dbraw/zinc/57/85/42/626578542.db2.gz YIIWKWWPHGHXBQ-UHFFFAOYSA-N 0 1 287.132 2.770 20 30 CFEDMN N#Cc1ccc(COC(=O)[C@@H]2CCCc3[nH]ncc32)c(F)c1 ZINC000758134771 626578588 /nfs/dbraw/zinc/57/85/88/626578588.db2.gz OISZSCUFWZMCES-GFCCVEGCSA-N 0 1 299.305 2.584 20 30 CFEDMN COC(=O)c1ccc(N=NCc2cc(F)ccc2F)nc1 ZINC000758141901 626578904 /nfs/dbraw/zinc/57/89/04/626578904.db2.gz XIECUMAACFANKO-UHFFFAOYSA-N 0 1 291.257 2.592 20 30 CFEDMN CCCC[C@@H](ON=C(C)C)C(=O)NCc1cc(CC)[nH]n1 ZINC000758150468 626579210 /nfs/dbraw/zinc/57/92/10/626579210.db2.gz DWKIQYILMOLGDU-CQSZACIVSA-N 0 1 294.399 2.560 20 30 CFEDMN CC[C@H](C)N(Cc1ccccc1)Cn1cccc(C#N)c1=O ZINC000758196225 626581412 /nfs/dbraw/zinc/58/14/12/626581412.db2.gz JVMIDAPMHNUELN-HNNXBMFYSA-N 0 1 295.386 2.978 20 30 CFEDMN C[C@@H]1CCN(Cn2cccc(C#N)c2=O)[C@H]2CCCC[C@H]12 ZINC000758202587 626581816 /nfs/dbraw/zinc/58/18/16/626581816.db2.gz AEVMSSFSHQZECH-BMFZPTHFSA-N 0 1 285.391 2.578 20 30 CFEDMN CCC[C@H]1[C@@H](C)CCCN1Cn1ccc(C)c(C#N)c1=O ZINC000758232357 626584242 /nfs/dbraw/zinc/58/42/42/626584242.db2.gz QFNSTZADDNPSQI-HOCLYGCPSA-N 0 1 287.407 2.887 20 30 CFEDMN CCCCCCCN1CC(=O)N[C@@H]2CCCC[C@@H]21 ZINC000758775350 626608430 /nfs/dbraw/zinc/60/84/30/626608430.db2.gz UXVZDNZMANSTQT-KGLIPLIRSA-N 0 1 252.402 2.700 20 30 CFEDMN C#CCN(Cc1ccc(C(=O)OC)cc1F)C1CCCC1 ZINC000759166412 626631792 /nfs/dbraw/zinc/63/17/92/626631792.db2.gz QHLPGWLVCKQRJZ-UHFFFAOYSA-N 0 1 289.350 2.990 20 30 CFEDMN N#Cc1ccc(OC2CCN(CCOC(F)F)CC2)cc1 ZINC000851750670 634511844 /nfs/dbraw/zinc/51/18/44/634511844.db2.gz DTSHJRCSBOUVMT-UHFFFAOYSA-N 0 1 296.317 2.641 20 30 CFEDMN CCCCCC[C@H](O)CN1CCC[C@](C)(C#N)C1 ZINC000759432027 626657376 /nfs/dbraw/zinc/65/73/76/626657376.db2.gz SDHAJVIGXNBBPV-LSDHHAIUSA-N 0 1 252.402 2.943 20 30 CFEDMN CCC#C[C@@H](C)N1CC[C@H](N(C)C(=O)OC(C)(C)C)C1 ZINC000759857221 626697725 /nfs/dbraw/zinc/69/77/25/626697725.db2.gz SXKXBRXBCGOXJE-KGLIPLIRSA-N 0 1 280.412 2.730 20 30 CFEDMN CCc1ccc(C=Nn2c(=O)c3ccccc3[nH]c2=S)o1 ZINC000760239399 626722376 /nfs/dbraw/zinc/72/23/76/626722376.db2.gz JXLLTLZBDJVCOB-UHFFFAOYSA-N 0 1 299.355 2.723 20 30 CFEDMN CCCOc1cccnc1C(=O)Nc1cc(C#N)ccc1O ZINC000760473365 626748966 /nfs/dbraw/zinc/74/89/66/626748966.db2.gz SRLPHKPWMXEIIP-UHFFFAOYSA-N 0 1 297.314 2.700 20 30 CFEDMN CCN(CCC#N)C(=O)CN1CCC(CC(C)C)CC1 ZINC000760921050 626784514 /nfs/dbraw/zinc/78/45/14/626784514.db2.gz NLYUJCZHBWWLBA-UHFFFAOYSA-N 0 1 279.428 2.507 20 30 CFEDMN C[C@@H]1CC(N=Nc2ncc(Cl)cc2Cl)CN1C ZINC000761805194 626859963 /nfs/dbraw/zinc/85/99/63/626859963.db2.gz OOYLMRISTXVGGX-SSDOTTSWSA-N 0 1 273.167 2.880 20 30 CFEDMN Cc1cc(N=NCc2nc3ccc(F)cc3s2)ncn1 ZINC000761814542 626860587 /nfs/dbraw/zinc/86/05/87/626860587.db2.gz CMJUDLYDFNALKI-UHFFFAOYSA-N 0 1 287.323 2.980 20 30 CFEDMN CC(C)COc1ccc(CN=Nc2cnn(C)c2)cc1 ZINC000761863770 626865930 /nfs/dbraw/zinc/86/59/30/626865930.db2.gz CVWQMJIBEVUBRC-UHFFFAOYSA-N 0 1 272.352 2.901 20 30 CFEDMN Cn1cc(N=NCc2ccc3c(c2)CCC(C)(C)O3)cn1 ZINC000761864928 626866436 /nfs/dbraw/zinc/86/64/36/626866436.db2.gz IPRAUSHZJXGTRX-UHFFFAOYSA-N 0 1 284.363 2.970 20 30 CFEDMN CC(=NNc1cnn(C)c1)c1ccc2ccccc2n1 ZINC000761865686 626866472 /nfs/dbraw/zinc/86/64/72/626866472.db2.gz KVEWIAWLNHMALZ-UHFFFAOYSA-N 0 1 265.320 2.804 20 30 CFEDMN Cc1cc(C)c2c(c1)C(N=Nc1cnn(C)c1)CCO2 ZINC000761867094 626867003 /nfs/dbraw/zinc/86/70/03/626867003.db2.gz BTEQRLXZBXIRSV-UHFFFAOYSA-N 0 1 270.336 2.636 20 30 CFEDMN C#Cc1ccc(-c2nc(-c3ccc4[nH]cnc4c3)no2)nc1 ZINC000762114432 626892743 /nfs/dbraw/zinc/89/27/43/626892743.db2.gz CZBLCQKBTJFHSC-UHFFFAOYSA-N 0 1 287.282 2.656 20 30 CFEDMN COCC#CCN1CCC[C@@H]1COc1ccc(Cl)cc1 ZINC000762916491 626950050 /nfs/dbraw/zinc/95/00/50/626950050.db2.gz HORLFMFPMIPBIB-OAHLLOKOSA-N 0 1 293.794 2.833 20 30 CFEDMN CCCCCCCC(=O)N[C@H](C)c1n[nH]c(CC)n1 ZINC000763204074 626970407 /nfs/dbraw/zinc/97/04/07/626970407.db2.gz WCZQPCJFVYXSPQ-LLVKDONJSA-N 0 1 266.389 2.905 20 30 CFEDMN CC(=NNCCN1CCCCC1)c1cc(C)ccc1F ZINC000763357099 626982348 /nfs/dbraw/zinc/98/23/48/626982348.db2.gz XGKAAKBTPAVBAL-UHFFFAOYSA-N 0 1 277.387 2.934 20 30 CFEDMN CCCCCCCC[N@H+]1CCC[C@@H](S(C)(=O)=O)C1 ZINC000763910760 627021572 /nfs/dbraw/zinc/02/15/72/627021572.db2.gz FAJOODOSTTYXKX-CQSZACIVSA-N 0 1 275.458 2.856 20 30 CFEDMN CCCCCCCCN1CCC[C@@H](S(C)(=O)=O)C1 ZINC000763910760 627021573 /nfs/dbraw/zinc/02/15/73/627021573.db2.gz FAJOODOSTTYXKX-CQSZACIVSA-N 0 1 275.458 2.856 20 30 CFEDMN C#CCOCCN1CCC(=Cc2ccccc2F)CC1 ZINC000851808414 634542765 /nfs/dbraw/zinc/54/27/65/634542765.db2.gz NYIXVIVLBNMQPZ-UHFFFAOYSA-N 0 1 273.351 2.955 20 30 CFEDMN C#CC[N@H+](Cc1cc(Cl)cc([N+](=O)[O-])c1[O-])C1CC1 ZINC000764678014 627083840 /nfs/dbraw/zinc/08/38/40/627083840.db2.gz ZGRMTLQSCAEZKB-UHFFFAOYSA-N 0 1 280.711 2.551 20 30 CFEDMN CC(=NNCCc1ccccc1F)c1ccc(N)cc1 ZINC000764716038 627087552 /nfs/dbraw/zinc/08/75/52/627087552.db2.gz GFLWLYOYDUDKBU-UHFFFAOYSA-N 0 1 271.339 2.964 20 30 CFEDMN CCCc1cc(C(=O)N=C2C[C@H](C)ON2)sc1C ZINC000765370872 627132641 /nfs/dbraw/zinc/13/26/41/627132641.db2.gz ZVEVMGZIXRSFKT-QMMMGPOBSA-N 0 1 266.366 2.861 20 30 CFEDMN CCCc1cc(C(=O)N=C2C[C@@H](C)ON2)sc1C ZINC000765370870 627132741 /nfs/dbraw/zinc/13/27/41/627132741.db2.gz ZVEVMGZIXRSFKT-MRVPVSSYSA-N 0 1 266.366 2.861 20 30 CFEDMN C[C@@H]1CC(=NC(=O)c2cc3sccc3s2)NO1 ZINC000765377801 627133463 /nfs/dbraw/zinc/13/34/63/627133463.db2.gz ITVSCYXNSUDGRC-ZCFIWIBFSA-N 0 1 266.347 2.815 20 30 CFEDMN c1cnc2c(c1)cccc2CNN=C1CCN2CCC[C@H]12 ZINC000765573917 627148239 /nfs/dbraw/zinc/14/82/39/627148239.db2.gz XDNOMVZQBCFIDC-MRXNPFEDSA-N 0 1 280.375 2.549 20 30 CFEDMN C#CCN1CCC[C@@H]1COC(=O)[C@@H](c1ccccc1)C1CC1 ZINC000765940166 627165383 /nfs/dbraw/zinc/16/53/83/627165383.db2.gz JLAGWTYKCPBBJQ-MSOLQXFVSA-N 0 1 297.398 2.821 20 30 CFEDMN CC(C)O[C@@H]1C[C@H](NC[C@H](C#N)CCC#N)C1(C)C ZINC000766039938 627173877 /nfs/dbraw/zinc/17/38/77/627173877.db2.gz ZLXXCIVDNPPOCU-MELADBBJSA-N 0 1 263.385 2.612 20 30 CFEDMN C[C@H](N(C)Cn1cc2c(c(C#N)c1=O)CCC2)C(C)(C)C ZINC000766611503 627211102 /nfs/dbraw/zinc/21/11/02/627211102.db2.gz LOSXRENJIZKQQU-LBPRGKRZSA-N 0 1 287.407 2.533 20 30 CFEDMN C#CCCCN1CCN(C(=O)c2ccc(Cl)cc2)CC1 ZINC000766896401 627225162 /nfs/dbraw/zinc/22/51/62/627225162.db2.gz NSWZXKLSMCKWBH-UHFFFAOYSA-N 0 1 290.794 2.511 20 30 CFEDMN C#CCCCN1CCC[C@@H]1C(=O)OCc1ccccc1 ZINC000766906681 627226627 /nfs/dbraw/zinc/22/66/27/627226627.db2.gz SVHIUYQIGLSYER-MRXNPFEDSA-N 0 1 271.360 2.608 20 30 CFEDMN CC(=NNc1ccccc1[N+](=O)[O-])c1cscn1 ZINC000767894119 627292216 /nfs/dbraw/zinc/29/22/16/627292216.db2.gz WTUXPZBFWPKRBE-UHFFFAOYSA-N 0 1 262.294 2.887 20 30 CFEDMN CN(C)c1ccc(C(N)=NOCCc2ccccc2)cc1 ZINC000767930379 627295637 /nfs/dbraw/zinc/29/56/37/627295637.db2.gz FXFLHSYEIHVGGY-UHFFFAOYSA-N 0 1 283.375 2.632 20 30 CFEDMN C#CCN1CCC[C@@H]1COC(=O)c1c(C)oc2ccccc21 ZINC000767972928 627299782 /nfs/dbraw/zinc/29/97/82/627299782.db2.gz JMJYXIBSYRRACR-CQSZACIVSA-N 0 1 297.354 2.996 20 30 CFEDMN CC(C)CN(CCC#N)Cc1[nH]nc2ccccc21 ZINC000768153758 627321134 /nfs/dbraw/zinc/32/11/34/627321134.db2.gz JCLOPXWDPWXOAW-UHFFFAOYSA-N 0 1 256.353 2.935 20 30 CFEDMN Cc1nccc([C@@H]2CCCN(Cc3ccc(C#N)o3)C2)n1 ZINC000768939881 627388438 /nfs/dbraw/zinc/38/84/38/627388438.db2.gz DXFYKVVAFCQEEQ-CYBMUJFWSA-N 0 1 282.347 2.629 20 30 CFEDMN CN(CCc1ccccc1F)Cc1ccc(C#N)o1 ZINC000769028884 627396661 /nfs/dbraw/zinc/39/66/61/627396661.db2.gz HLIHJDVXBMVDDT-UHFFFAOYSA-N 0 1 258.296 2.965 20 30 CFEDMN C=C(C)[C@H](CO)N1CC[C@H](c2c(F)cccc2F)C1 ZINC000769229077 627413685 /nfs/dbraw/zinc/41/36/85/627413685.db2.gz VMKGURSXCSSHCI-FZMZJTMJSA-N 0 1 267.319 2.691 20 30 CFEDMN C#CCN(CC#CC)Cc1cnc(-c2ccccc2)[nH]1 ZINC000769452323 627440858 /nfs/dbraw/zinc/44/08/58/627440858.db2.gz WLUQHIASVZWIBM-UHFFFAOYSA-N 0 1 263.344 2.535 20 30 CFEDMN C#C[C@H](C)N(C)Cc1cc(=O)oc2cc3c(cc12)CCC3 ZINC000769963095 627492233 /nfs/dbraw/zinc/49/22/33/627492233.db2.gz RVESJSKGNLOGDS-LBPRGKRZSA-N 0 1 281.355 2.735 20 30 CFEDMN C#C[C@H](C)N(C)Cc1ccc(OC)c(Br)c1 ZINC000769975962 627493073 /nfs/dbraw/zinc/49/30/73/627493073.db2.gz QKUAMMIWTKCFHB-JTQLQIEISA-N 0 1 282.181 2.911 20 30 CFEDMN CCC(=NNC[C@@H](C)C#N)c1ccc(N(C)C)cc1 ZINC000771106968 627577829 /nfs/dbraw/zinc/57/78/29/627577829.db2.gz KAYNXBIRKVKSQL-LBPRGKRZSA-N 0 1 258.369 2.616 20 30 CFEDMN C#CCOCCN[C@@H](CC)c1nc(C(F)(F)F)cs1 ZINC000851925780 634593265 /nfs/dbraw/zinc/59/32/65/634593265.db2.gz AVIJGSUDFLQNJT-VIFPVBQESA-N 0 1 292.326 2.852 20 30 CFEDMN Cc1nc(-c2cccc(C)c2)[nH]c1C(=O)O[C@@H](C)C#N ZINC000772106474 627673260 /nfs/dbraw/zinc/67/32/60/627673260.db2.gz MISWCCKYBICXIQ-JTQLQIEISA-N 0 1 269.304 2.762 20 30 CFEDMN CC(=O)C(C)(C)CCC(=O)Nc1cc(C#N)ccc1O ZINC000772716514 627739590 /nfs/dbraw/zinc/73/95/90/627739590.db2.gz GWJZCCWWLVHYBW-UHFFFAOYSA-N 0 1 274.320 2.598 20 30 CFEDMN Cc1cc(CC(=O)OCC#Cc2cccc(Cl)c2)n[nH]1 ZINC000773176527 627792353 /nfs/dbraw/zinc/79/23/53/627792353.db2.gz QPSSCTKHQLWULK-UHFFFAOYSA-N 0 1 288.734 2.509 20 30 CFEDMN C=C(CC)CN1CCN(c2ccc(OC)c(F)c2)CC1 ZINC000773426049 627816940 /nfs/dbraw/zinc/81/69/40/627816940.db2.gz YLRZPZWCANZEAL-UHFFFAOYSA-N 0 1 278.371 2.923 20 30 CFEDMN Cc1cc(C(=O)C(C#N)C(=O)Nc2cccc(C)c2)ns1 ZINC000774042306 627881264 /nfs/dbraw/zinc/88/12/64/627881264.db2.gz GLWLGCJTPOVIRB-LBPRGKRZSA-N 0 1 299.355 2.721 20 30 CFEDMN Cc1cccc2nc([C@H](C#N)C(=O)Cc3ccoc3)[nH]c21 ZINC000774106136 627888153 /nfs/dbraw/zinc/88/81/53/627888153.db2.gz VRUFTVYOWTZDQC-GFCCVEGCSA-N 0 1 279.299 2.883 20 30 CFEDMN COC(=O)c1coc(/C=C/C(=O)c2ccccc2O)c1 ZINC000774137474 627892477 /nfs/dbraw/zinc/89/24/77/627892477.db2.gz WDCDZTZZLURGHK-VOTSOKGWSA-N 0 1 272.256 2.668 20 30 CFEDMN C=CC[C@H](N[C@H](C)c1ccnn1C)c1ccncc1 ZINC000774194691 627901326 /nfs/dbraw/zinc/90/13/26/627901326.db2.gz YQCGSHHDQYQOBU-OCCSQVGLSA-N 0 1 256.353 2.783 20 30 CFEDMN CCc1cc(CNc2c(C#N)cnc3c(C)cccc32)n[nH]1 ZINC000774528934 627935437 /nfs/dbraw/zinc/93/54/37/627935437.db2.gz HFSGGNKTUYACSO-UHFFFAOYSA-N 0 1 291.358 2.734 20 30 CFEDMN C#C[C@H](NCc1ccc(OCC=C)cc1)[C@H]1CCCO1 ZINC000775339264 628011603 /nfs/dbraw/zinc/01/16/03/628011603.db2.gz BDVMBPKJMZIKMA-DLBZAZTESA-N 0 1 271.360 2.522 20 30 CFEDMN C#C[C@H](NCc1cccc(OCCC)c1)[C@H]1CCCO1 ZINC000775339677 628011657 /nfs/dbraw/zinc/01/16/57/628011657.db2.gz CWSNFUWHMYPLJP-DLBZAZTESA-N 0 1 273.376 2.746 20 30 CFEDMN C#C[C@H](NCc1ccc(OC(F)F)cc1)[C@H]1CCCO1 ZINC000775347096 628014565 /nfs/dbraw/zinc/01/45/65/628014565.db2.gz XEMGUODYNTZQMJ-UONOGXRCSA-N 0 1 281.302 2.558 20 30 CFEDMN C#CC[C@H](NCC(=O)NC(C)(C)CC)c1ccccc1 ZINC000775400321 628021131 /nfs/dbraw/zinc/02/11/31/628021131.db2.gz YWWYDFKZKDLNCO-HNNXBMFYSA-N 0 1 272.392 2.645 20 30 CFEDMN C#C[C@H](N[C@@H](C)c1ccccc1OC)[C@@H]1CCCO1 ZINC000775571729 628039740 /nfs/dbraw/zinc/03/97/40/628039740.db2.gz KEDHNFRRRYBHFC-NOLJZWGESA-N 0 1 259.349 2.527 20 30 CFEDMN C#C[C@H](N[C@@H](C)c1ccc(F)cc1N(C)C)[C@H]1CCCO1 ZINC000775573428 628041463 /nfs/dbraw/zinc/04/14/63/628041463.db2.gz YLBVKYYITUKSBS-YLQAJVPDSA-N 0 1 290.382 2.723 20 30 CFEDMN C#C[C@H](N[C@@H](C)c1sc(CC)nc1C)[C@H]1CCCO1 ZINC000775573960 628041719 /nfs/dbraw/zinc/04/17/19/628041719.db2.gz MADZOXKYMCTSRU-WCFLWFBJSA-N 0 1 278.421 2.845 20 30 CFEDMN C#C[C@H](N[C@@H](C)c1cc(C)ccc1OC)[C@H]1CCCO1 ZINC000775575423 628042424 /nfs/dbraw/zinc/04/24/24/628042424.db2.gz XDKIQOTUDHIWEO-JLJPHGGASA-N 0 1 273.376 2.835 20 30 CFEDMN N#CC1CC[NH+](Cc2cc(Cl)cc(F)c2[O-])CC1 ZINC000775667518 628052418 /nfs/dbraw/zinc/05/24/18/628052418.db2.gz KFMGENDKEKUODC-UHFFFAOYSA-N 0 1 268.719 2.920 20 30 CFEDMN C[C@@H](CC#N)N(C)Cc1cc(Cl)cc(F)c1O ZINC000775676898 628053922 /nfs/dbraw/zinc/05/39/22/628053922.db2.gz AGYDYPYDZWHFCW-QMMMGPOBSA-N 0 1 256.708 2.919 20 30 CFEDMN C#C[C@@H](NCCOc1cccc2ccccc21)[C@H]1CCCO1 ZINC000775790540 628068438 /nfs/dbraw/zinc/06/84/38/628068438.db2.gz PZHUJVDQFKCAQG-IEBWSBKVSA-N 0 1 295.382 2.989 20 30 CFEDMN C[C@@H](NCc1cccc(F)n1)c1cccc(C#N)c1 ZINC000776171681 628111147 /nfs/dbraw/zinc/11/11/47/628111147.db2.gz UTCLHQHTFPRAHI-LLVKDONJSA-N 0 1 255.296 2.943 20 30 CFEDMN COC(=O)c1ccccc1N=NCc1ccc2c(c1)CCO2 ZINC000776187506 628113642 /nfs/dbraw/zinc/11/36/42/628113642.db2.gz QWCATNFZRNFWTA-UHFFFAOYSA-N 0 1 296.326 2.854 20 30 CFEDMN COCCON=C1CN(Cc2ccccc2)CC[C@@H]1C ZINC000776188031 628113883 /nfs/dbraw/zinc/11/38/83/628113883.db2.gz SGWOMXKZPXDWGK-AWEZNQCLSA-N 0 1 276.380 2.547 20 30 CFEDMN CC[C@@H](C(=O)OCc1ccc(CC#N)cc1)N(CC)CC ZINC000776214552 628117842 /nfs/dbraw/zinc/11/78/42/628117842.db2.gz QPXSEOXZDCQFHA-INIZCTEOSA-N 0 1 288.391 2.916 20 30 CFEDMN CCCCCCNC(=O)C(C#N)C(=O)[C@@H]1CC[C@H](C)C1 ZINC000776516337 628155715 /nfs/dbraw/zinc/15/57/15/628155715.db2.gz MFBKRZKPWIZWGR-BFHYXJOUSA-N 0 1 278.396 2.828 20 30 CFEDMN C=CCSc1ccccc1C(=O)NC1=NO[C@H](C)C1 ZINC000777174576 628205967 /nfs/dbraw/zinc/20/59/67/628205967.db2.gz SREGGOMTWRXBSE-SNVBAGLBSA-N 0 1 276.361 2.817 20 30 CFEDMN CC(=NNCCN1CCCCC1)C1CCSCC1 ZINC000777432716 628224841 /nfs/dbraw/zinc/22/48/41/628224841.db2.gz IDLBUEJZWCJKPB-UHFFFAOYSA-N 0 1 269.458 2.581 20 30 CFEDMN COC(=O)CCCN1CCC(=NOC2CCCCC2)CC1 ZINC000777459553 628228269 /nfs/dbraw/zinc/22/82/69/628228269.db2.gz RZSUEVAQVUTOIK-UHFFFAOYSA-N 0 1 296.411 2.741 20 30 CFEDMN C#CCN(Cc1cnn(-c2ccccc2)c1)C(C)C ZINC000777744814 628250585 /nfs/dbraw/zinc/25/05/85/628250585.db2.gz RACUEEHLEVZVML-UHFFFAOYSA-N 0 1 253.349 2.716 20 30 CFEDMN COC(=O)c1cc(C=NNc2cc(Cl)ccn2)oc1C ZINC000777906267 628264374 /nfs/dbraw/zinc/26/43/74/628264374.db2.gz HHRQDNIJNTXREA-UHFFFAOYSA-N 0 1 293.710 2.869 20 30 CFEDMN CNC(=O)c1ccc(C=NNc2cc(Cl)ccn2)cc1 ZINC000777907062 628264617 /nfs/dbraw/zinc/26/46/17/628264617.db2.gz QQEUAOCCVFGODK-UHFFFAOYSA-N 0 1 288.738 2.541 20 30 CFEDMN Cc1nn(C)c(Cl)c1CN=Nc1cc(Cl)ccn1 ZINC000777907646 628264666 /nfs/dbraw/zinc/26/46/66/628264666.db2.gz YTLLHYICSDQJBL-UHFFFAOYSA-N 0 1 284.150 2.876 20 30 CFEDMN C#CCOc1ccccc1CNCc1ccc(F)nc1 ZINC000778168662 628282891 /nfs/dbraw/zinc/28/28/91/628282891.db2.gz FSQYNXHBCVYIFP-UHFFFAOYSA-N 0 1 270.307 2.523 20 30 CFEDMN C=C(C)CN(C)CC(=O)N[C@H](C)CCCCCC ZINC000778230532 628288441 /nfs/dbraw/zinc/28/84/41/628288441.db2.gz GGRYYDAXIWMNQY-CQSZACIVSA-N 0 1 254.418 2.969 20 30 CFEDMN CCC(=NNC1=N[C@H]2CCCC[C@@H]2N1)c1ccccc1F ZINC000778543991 628313841 /nfs/dbraw/zinc/31/38/41/628313841.db2.gz HACVBQYGVWFISD-GJZGRUSLSA-N 0 1 288.370 2.800 20 30 CFEDMN C=CC[C@@H](C(=O)NOCC(F)F)c1ccccc1 ZINC000779094248 628352132 /nfs/dbraw/zinc/35/21/32/628352132.db2.gz BFMWNWLZBLRDEU-LLVKDONJSA-N 0 1 255.264 2.659 20 30 CFEDMN C#C[C@@](C)(CC)N[C@@H](C)C(=O)Nc1cccc(F)c1 ZINC000852098978 634653227 /nfs/dbraw/zinc/65/32/27/634653227.db2.gz AHNVIFHERBWSGI-NHYWBVRUSA-N 0 1 262.328 2.544 20 30 CFEDMN C#C[C@@](C)(CC)N[C@H](C)C(=O)Nc1cc(F)ccc1F ZINC000852099008 634653348 /nfs/dbraw/zinc/65/33/48/634653348.db2.gz BDZFOXWNDRXSDZ-BMIGLBTASA-N 0 1 280.318 2.683 20 30 CFEDMN COc1cccc(N=NCc2ncccc2C(F)(F)F)n1 ZINC000779816907 628410238 /nfs/dbraw/zinc/41/02/38/628410238.db2.gz KQVJPUHUCDFFEA-UHFFFAOYSA-N 0 1 296.252 2.950 20 30 CFEDMN COc1cccc(N=NCc2ccc(F)c(F)c2)n1 ZINC000779816477 628410325 /nfs/dbraw/zinc/41/03/25/628410325.db2.gz FRRBMLHIERJVFY-UHFFFAOYSA-N 0 1 263.247 2.814 20 30 CFEDMN COc1cccc(NN=Cc2cc(-c3ccccc3)n[nH]2)n1 ZINC000779816604 628410330 /nfs/dbraw/zinc/41/03/30/628410330.db2.gz HPFRWDUMYKCTLB-UHFFFAOYSA-N 0 1 293.330 2.926 20 30 CFEDMN COc1cccc(NN=C(C)c2cc(F)ccc2O)n1 ZINC000779818808 628410767 /nfs/dbraw/zinc/41/07/67/628410767.db2.gz CEMRKBPUKKBWFO-UHFFFAOYSA-N 0 1 275.283 2.771 20 30 CFEDMN COc1cccc(N=NCc2csc(C3CC3)n2)n1 ZINC000779818231 628410897 /nfs/dbraw/zinc/41/08/97/628410897.db2.gz OATXGZHBCMEDNC-UHFFFAOYSA-N 0 1 274.349 2.870 20 30 CFEDMN COc1cccc(NN=C(C)c2csc(C)n2)n1 ZINC000779821029 628411254 /nfs/dbraw/zinc/41/12/54/628411254.db2.gz RUIZGSUDDPURLY-UHFFFAOYSA-N 0 1 262.338 2.691 20 30 CFEDMN C#C[C@@](C)(CC)N[C@H](C)c1cc(C)c(C(=O)OC)o1 ZINC000852101095 634655332 /nfs/dbraw/zinc/65/53/32/634655332.db2.gz LZJHGQRXZCVXAB-ABAIWWIYSA-N 0 1 263.337 2.827 20 30 CFEDMN C#C[C@@](C)(CC)NCC(=O)Nc1ccc(CC)cc1 ZINC000852101060 634655518 /nfs/dbraw/zinc/65/55/18/634655518.db2.gz NDGQLACZWOTBRH-INIZCTEOSA-N 0 1 258.365 2.579 20 30 CFEDMN C#C[C@](C)(CC)N[C@H](C)C(=O)c1c[nH]c2ncccc12 ZINC000852101117 634655605 /nfs/dbraw/zinc/65/56/05/634655605.db2.gz MLUCMDHYPNSVJX-BDJLRTHQSA-N 0 1 269.348 2.526 20 30 CFEDMN CC1(C)C[C@H](NN=Cc2cc(-c3ccccc3)[nH]n2)CCO1 ZINC000780251777 628445630 /nfs/dbraw/zinc/44/56/30/628445630.db2.gz DILFGLVXWBLWKQ-CQSZACIVSA-N 0 1 298.390 2.958 20 30 CFEDMN COc1ccc(N=NC(C)c2csc(C)n2)nc1 ZINC000780268830 628448560 /nfs/dbraw/zinc/44/85/60/628448560.db2.gz KBJUVINLDHXMLA-UHFFFAOYSA-N 0 1 262.338 2.691 20 30 CFEDMN C#C[C@@](C)(CC)N[C@H]1CCCN(c2ccccc2)C1=O ZINC000852101703 634656173 /nfs/dbraw/zinc/65/61/73/634656173.db2.gz HANKHIWAYOINJN-RDJZCZTQSA-N 0 1 270.376 2.574 20 30 CFEDMN C#C[C@@](C)(CC)NCC(=O)Nc1ccc(F)cc1Cl ZINC000852102581 634656753 /nfs/dbraw/zinc/65/67/53/634656753.db2.gz ZRDZJZKOBPIZDF-AWEZNQCLSA-N 0 1 282.746 2.809 20 30 CFEDMN C#C[C@](C)(CC)N[C@H]1CCN(c2ccccc2Cl)C1=O ZINC000852102725 634657891 /nfs/dbraw/zinc/65/78/91/634657891.db2.gz OWPXFNLPOVMEEM-XJKSGUPXSA-N 0 1 290.794 2.837 20 30 CFEDMN Cc1ccc(-c2n[nH]cc2CNCc2ccc(C#N)cn2)o1 ZINC000780555592 628475831 /nfs/dbraw/zinc/47/58/31/628475831.db2.gz PNFYCTJOWYWYEP-UHFFFAOYSA-N 0 1 293.330 2.535 20 30 CFEDMN N#Cc1ccc(CNCc2ccc(Cl)cc2)nc1 ZINC000780556292 628476067 /nfs/dbraw/zinc/47/60/67/628476067.db2.gz WLODPKCBLMWUBP-UHFFFAOYSA-N 0 1 257.724 2.896 20 30 CFEDMN CCOc1ccc(CNCc2ccc(C#N)cn2)cc1 ZINC000780557004 628476430 /nfs/dbraw/zinc/47/64/30/628476430.db2.gz RLZFGNZCFAPJRS-UHFFFAOYSA-N 0 1 267.332 2.642 20 30 CFEDMN N#Cc1ccc(CNCc2cccc3[nH]ccc32)nc1 ZINC000780556999 628476545 /nfs/dbraw/zinc/47/65/45/628476545.db2.gz RHLPVMUDEHJCIC-UHFFFAOYSA-N 0 1 262.316 2.724 20 30 CFEDMN C#CCCCCCC(=O)Nc1cc(C#N)ccc1O ZINC000780605591 628481660 /nfs/dbraw/zinc/48/16/60/628481660.db2.gz WCKZRRRJFYPYRU-UHFFFAOYSA-N 0 1 256.305 2.786 20 30 CFEDMN CC(N=Nc1ccccn1)c1ccc(C#N)cc1F ZINC000781118418 628523227 /nfs/dbraw/zinc/52/32/27/628523227.db2.gz MUEBZXITBUSSBZ-UHFFFAOYSA-N 0 1 254.268 2.928 20 30 CFEDMN CC(=NNc1cc(C)ncn1)c1ccc(C#N)cc1F ZINC000781127570 628523733 /nfs/dbraw/zinc/52/37/33/628523733.db2.gz OBHSQGABTRBGPB-UHFFFAOYSA-N 0 1 269.283 2.632 20 30 CFEDMN CCCCCCCCN(CC)Cc1cn(C)nn1 ZINC000782103975 628604876 /nfs/dbraw/zinc/60/48/76/628604876.db2.gz YTMLJRPUEFIQRF-UHFFFAOYSA-N 0 1 252.406 2.998 20 30 CFEDMN Cc1cc(N=NCc2sccc2Cl)ncn1 ZINC000782227916 628617338 /nfs/dbraw/zinc/61/73/38/628617338.db2.gz AHRHHPUBRPBOAS-UHFFFAOYSA-N 0 1 252.730 2.946 20 30 CFEDMN C[C@@H]1CN(CCCOc2ccc(C#N)cc2)[C@H](C)[C@@H](C)O1 ZINC000782626239 628650277 /nfs/dbraw/zinc/65/02/77/628650277.db2.gz ZPGLVTJMYXUHJX-RBSFLKMASA-N 0 1 288.391 2.825 20 30 CFEDMN COc1ccc(O)c([C@H](C)NCc2ccc(C#N)cn2)c1 ZINC000783300170 628698972 /nfs/dbraw/zinc/69/89/72/628698972.db2.gz JLNUEXYKPTXMIP-NSHDSACASA-N 0 1 283.331 2.518 20 30 CFEDMN CCOCOc1ccc(CN2CCC(C#N)CC2)cc1 ZINC000783446562 628709053 /nfs/dbraw/zinc/70/90/53/628709053.db2.gz UHAMAMZWUZPWBH-UHFFFAOYSA-N 0 1 274.364 2.795 20 30 CFEDMN Fc1cc(Cl)ccc1C=NNc1ncnc2nc[nH]c21 ZINC000783514357 628715309 /nfs/dbraw/zinc/71/53/09/628715309.db2.gz PICJPJJBJLFWEH-UHFFFAOYSA-N 0 1 290.689 2.591 20 30 CFEDMN CC(C)[C@@H](C(=O)OCCCC(C)(C)C#N)N1CCCC1 ZINC000783780092 628745462 /nfs/dbraw/zinc/74/54/62/628745462.db2.gz VESZYVWVPGSBLX-AWEZNQCLSA-N 0 1 280.412 2.980 20 30 CFEDMN CC(=NNc1ccc(C)nn1)c1ccc(F)cc1[N+](=O)[O-] ZINC000783842146 628748803 /nfs/dbraw/zinc/74/88/03/628748803.db2.gz QOJGEIBUYCPQHQ-UHFFFAOYSA-N 0 1 289.270 2.668 20 30 CFEDMN C#CCOCCN[C@H](C)c1nc2ccccc2n1C(F)F ZINC000784078354 628773203 /nfs/dbraw/zinc/77/32/03/628773203.db2.gz BISACLOBSJGDBN-LLVKDONJSA-N 0 1 293.317 2.732 20 30 CFEDMN O=c1nc(NN=CCC[C@@H]2CCOC2)[nH]c2ccccc12 ZINC000786035602 628931559 /nfs/dbraw/zinc/93/15/59/628931559.db2.gz FFTXJUCCRDINDR-LLVKDONJSA-N 0 1 286.335 2.550 20 30 CFEDMN O=c1[nH]c(N=NCCC[C@@H]2CCOC2)nc2ccccc21 ZINC000786035602 628931561 /nfs/dbraw/zinc/93/15/61/628931561.db2.gz FFTXJUCCRDINDR-LLVKDONJSA-N 0 1 286.335 2.550 20 30 CFEDMN CC[C@H](NC(=O)C(C#N)C(=O)CC1CC1)c1ccccc1 ZINC000787043717 628990074 /nfs/dbraw/zinc/99/00/74/628990074.db2.gz BXXCASNRZOSDNL-GJZGRUSLSA-N 0 1 284.359 2.763 20 30 CFEDMN CCCCCCCCN1CCCN(CCOC)C(=O)C1 ZINC000787364980 629009139 /nfs/dbraw/zinc/00/91/39/629009139.db2.gz ZQKBMMSZNABNDZ-UHFFFAOYSA-N 0 1 284.444 2.528 20 30 CFEDMN C=C(CSc1nc(-c2ccccc2)n[nH]1)C(=O)OCC ZINC000788805768 629100859 /nfs/dbraw/zinc/10/08/59/629100859.db2.gz NLHJZMUSSWIRRD-UHFFFAOYSA-N 0 1 289.360 2.683 20 30 CFEDMN C[C@@H](C=Nn1cnnc1)c1ccc(C(F)(F)F)cc1 ZINC000788928173 629109495 /nfs/dbraw/zinc/10/94/95/629109495.db2.gz ATHFBXPWWSVIEA-VIFPVBQESA-N 0 1 268.242 2.935 20 30 CFEDMN C#CCn1ccc(CN(CC)CCc2cccs2)n1 ZINC000789329974 629147804 /nfs/dbraw/zinc/14/78/04/629147804.db2.gz WBIRZWJPNIFDAV-UHFFFAOYSA-N 0 1 273.405 2.642 20 30 CFEDMN COCC(=NNc1cc(C)ccn1)c1ccccc1 ZINC000790167222 629215392 /nfs/dbraw/zinc/21/53/92/629215392.db2.gz NOJSFUBROLYIPO-UHFFFAOYSA-N 0 1 255.321 2.853 20 30 CFEDMN Cc1cccnc1NN=C1c2ccccc2N(C(C)C)C1=O ZINC000790188432 629217311 /nfs/dbraw/zinc/21/73/11/629217311.db2.gz YWXBALAQHLEBEU-UHFFFAOYSA-N 0 1 294.358 2.961 20 30 CFEDMN COc1cccc2c1OCCC2N=Nc1ncccc1C ZINC000790186021 629217384 /nfs/dbraw/zinc/21/73/84/629217384.db2.gz MJCSVEPCKCVGTH-UHFFFAOYSA-N 0 1 283.331 2.997 20 30 CFEDMN Cc1nn(-c2ccncc2)cc1C=NNc1ncccc1C ZINC000790185658 629217566 /nfs/dbraw/zinc/21/75/66/629217566.db2.gz IWJXGKLJEGCGIJ-UHFFFAOYSA-N 0 1 292.346 2.725 20 30 CFEDMN Cc1cccnc1N=NCc1cccc2c1OCCO2 ZINC000790186714 629217651 /nfs/dbraw/zinc/21/76/51/629217651.db2.gz PUQYOEZSGWTGLJ-UHFFFAOYSA-N 0 1 269.304 2.607 20 30 CFEDMN Cc1cccnc1N=NCc1cn(C)nc1C(C)(C)C ZINC000790188267 629217659 /nfs/dbraw/zinc/21/76/59/629217659.db2.gz WSAIKGPHOMKTBI-UHFFFAOYSA-N 0 1 271.368 2.867 20 30 CFEDMN Cc1cccnc1NN=Cc1ccc(OCC#N)cc1 ZINC000790190274 629218171 /nfs/dbraw/zinc/21/81/71/629218171.db2.gz ICFCRRJLBPTDRU-UHFFFAOYSA-N 0 1 266.304 2.738 20 30 CFEDMN CCC(=N[N-]c1[nH+]ccn1C)c1cccc([N+](=O)[O-])c1 ZINC000790299657 629227532 /nfs/dbraw/zinc/22/75/32/629227532.db2.gz HRTKZVRNLKUYBW-UHFFFAOYSA-N 0 1 273.296 2.555 20 30 CFEDMN Cn1ccnc1N=NCc1ccc2c(c1)CCC(C)(C)O2 ZINC000790301017 629228064 /nfs/dbraw/zinc/22/80/64/629228064.db2.gz DHPYGMILYSOVGU-UHFFFAOYSA-N 0 1 284.363 2.970 20 30 CFEDMN Cn1ccnc1NN=C1CCSc2c(F)cccc21 ZINC000790306310 629229635 /nfs/dbraw/zinc/22/96/35/629229635.db2.gz XCNSKQIETSQVGE-UHFFFAOYSA-N 0 1 276.340 2.871 20 30 CFEDMN C#C[C@H](NCc1ccc(OCC2CC2)cc1)[C@H]1CCCO1 ZINC000790991981 629278352 /nfs/dbraw/zinc/27/83/52/629278352.db2.gz SIBSEVBITYKSIM-ZWKOTPCHSA-N 0 1 285.387 2.746 20 30 CFEDMN C[C@@H]1C[C@H](CN2CCC[C@@](C#N)(c3ccccn3)C2)CCO1 ZINC000852331521 634723807 /nfs/dbraw/zinc/72/38/07/634723807.db2.gz AHZFWOXJDJXETC-NUJGCVRESA-N 0 1 299.418 2.754 20 30 CFEDMN C[C@H](C(=O)OCC#Cc1ccccc1)N1[C@H](C)CC[C@@H]1C ZINC000791391777 629307747 /nfs/dbraw/zinc/30/77/47/629307747.db2.gz OVBOJTCMPYBHIG-OWCLPIDISA-N 0 1 285.387 2.843 20 30 CFEDMN C#CCCN1CCN(Cc2cccc(C(F)F)c2)CC1 ZINC000791481264 629320355 /nfs/dbraw/zinc/32/03/55/629320355.db2.gz CUOKVZMOZVFUBX-UHFFFAOYSA-N 0 1 278.346 2.765 20 30 CFEDMN C#C[C@@H](NCc1cccc(C(F)F)c1)[C@@H]1CCCO1 ZINC000791493904 629321126 /nfs/dbraw/zinc/32/11/26/629321126.db2.gz OLIPMZGBWZHFCQ-KGLIPLIRSA-N 0 1 265.303 2.895 20 30 CFEDMN N#CC(C(=O)Nc1ccc(Cl)cc1)C(=O)[C@@H]1CC1(F)F ZINC000835060140 629364406 /nfs/dbraw/zinc/36/44/06/629364406.db2.gz JLLVMPFIKJOSTD-UWVGGRQHSA-N 0 1 298.676 2.643 20 30 CFEDMN CCC[C@@H]1CCC[C@@H]1C(=O)[C@H](C#N)C(=O)NC1CCCC1 ZINC000835073486 629371716 /nfs/dbraw/zinc/37/17/16/629371716.db2.gz MTTYHHIBNXWFTJ-SNPRPXQTSA-N 0 1 290.407 2.970 20 30 CFEDMN N#C[C@H](C(=O)C1CCSCC1)c1cnc2ccccc2n1 ZINC000792107921 629397680 /nfs/dbraw/zinc/39/76/80/629397680.db2.gz IUQMMJVWBGWFRW-LBPRGKRZSA-N 0 1 297.383 2.949 20 30 CFEDMN N#C[C@@H](C(=O)CC1CC1)c1cnc2ccccc2n1 ZINC000792104036 629397750 /nfs/dbraw/zinc/39/77/50/629397750.db2.gz NLCJSFQLQPCIIZ-LLVKDONJSA-N 0 1 251.289 2.606 20 30 CFEDMN CCN(CC#Cc1ccccc1)CCc1ccccn1 ZINC000792244254 629414328 /nfs/dbraw/zinc/41/43/28/629414328.db2.gz WJCTVVXHPFTQJR-UHFFFAOYSA-N 0 1 264.372 2.998 20 30 CFEDMN CCOC(=O)c1csc(C(C#N)C(=O)C=C(C)CC)n1 ZINC000835108248 629415229 /nfs/dbraw/zinc/41/52/29/629415229.db2.gz GKBLHWQEYXWULZ-ABRRARGCSA-N 0 1 292.360 2.852 20 30 CFEDMN OCC[C@H](NCC#Cc1ccccc1)c1cccs1 ZINC000792284073 629417477 /nfs/dbraw/zinc/41/74/77/629417477.db2.gz UNIAUEDSYJCRJP-HNNXBMFYSA-N 0 1 271.385 2.813 20 30 CFEDMN C#C[C@H](NCCOc1ccc(Cl)c(F)c1)[C@H]1CCCO1 ZINC000792285021 629417544 /nfs/dbraw/zinc/41/75/44/629417544.db2.gz CWROGWJFYGDRFJ-LSDHHAIUSA-N 0 1 297.757 2.628 20 30 CFEDMN C#C[C@@H](NCCOc1ccc(Cl)c(F)c1)[C@@H]1CCCO1 ZINC000792285018 629417897 /nfs/dbraw/zinc/41/78/97/629417897.db2.gz CWROGWJFYGDRFJ-CABCVRRESA-N 0 1 297.757 2.628 20 30 CFEDMN O=C(OCC#Cc1ccccc1)c1ccc2cncn2c1 ZINC000792550857 629432749 /nfs/dbraw/zinc/43/27/49/629432749.db2.gz KNPZXGGSGWVVFH-UHFFFAOYSA-N 0 1 276.295 2.543 20 30 CFEDMN N#Cc1cc(F)ccc1COC(=O)c1ccc2cncn2c1 ZINC000792551590 629432832 /nfs/dbraw/zinc/43/28/32/629432832.db2.gz PIMCBBHYQKHLQI-UHFFFAOYSA-N 0 1 295.273 2.702 20 30 CFEDMN CC[C@H](C#N)Oc1cccc(CNCC2(F)CC2)c1 ZINC000792989308 629473663 /nfs/dbraw/zinc/47/36/63/629473663.db2.gz ZCKHQXNADLTJPY-CYBMUJFWSA-N 0 1 262.328 2.959 20 30 CFEDMN Cc1nc(C)c(CN=Nc2ccc(Br)cn2)o1 ZINC000793004380 629475379 /nfs/dbraw/zinc/47/53/79/629475379.db2.gz LKFKTDBUSTWTFC-UHFFFAOYSA-N 0 1 295.140 2.895 20 30 CFEDMN C[C@@H](NN=Cc1ccc(N2CCOCC2)s1)C(C)(C)C ZINC000793112934 629488506 /nfs/dbraw/zinc/48/85/06/629488506.db2.gz YFOFTUOPZBNIGI-GFCCVEGCSA-N 0 1 295.452 2.943 20 30 CFEDMN CC(=NNc1cccc(Cl)n1)c1cc(C)on1 ZINC000793160435 629494533 /nfs/dbraw/zinc/49/45/33/629494533.db2.gz APVOQFCMGUONDM-UHFFFAOYSA-N 0 1 250.689 2.868 20 30 CFEDMN Cc1ncc(C(C)N=Nc2cccc(Cl)n2)c(C)n1 ZINC000793161039 629494963 /nfs/dbraw/zinc/49/49/63/629494963.db2.gz HLLUYFRUIRWBDR-UHFFFAOYSA-N 0 1 275.743 2.978 20 30 CFEDMN Cc1nc(CN=Nc2cccc(Cl)n2)cs1 ZINC000793175408 629499602 /nfs/dbraw/zinc/49/96/02/629499602.db2.gz UGQLIALNSUHGTN-UHFFFAOYSA-N 0 1 252.730 2.946 20 30 CFEDMN CC(C)(C)C#CCOC(=O)c1ccc(-c2nnc[nH]2)cc1 ZINC000793325176 629527563 /nfs/dbraw/zinc/52/75/63/629527563.db2.gz LYCHKRMWKLWESB-UHFFFAOYSA-N 0 1 283.331 2.678 20 30 CFEDMN CCN(CC(C)C)Cn1cc2c(c(C#N)c1=O)CCCC2 ZINC000793486205 629555265 /nfs/dbraw/zinc/55/52/65/629555265.db2.gz LVBQWHUBSUQGFA-UHFFFAOYSA-N 0 1 287.407 2.534 20 30 CFEDMN Cc1cc([C@H](C)NC2(c3cccc(C#N)c3)CC2)n(C)n1 ZINC000793545463 629567970 /nfs/dbraw/zinc/56/79/70/629567970.db2.gz DLIAAUZJUZWWPC-ZDUSSCGKSA-N 0 1 280.375 2.940 20 30 CFEDMN Cc1ccc2nc(N=Cc3c(CO)cnc(C)c3O)[nH]c2c1 ZINC000793664877 629583986 /nfs/dbraw/zinc/58/39/86/629583986.db2.gz AZTVHIIEKPRVFH-UHFFFAOYSA-N 0 1 296.330 2.523 20 30 CFEDMN CC(C)CN(CCC#N)CCN1CCc2ccccc21 ZINC000794373296 629641332 /nfs/dbraw/zinc/64/13/32/629641332.db2.gz GRMGMUKJVMLEKH-UHFFFAOYSA-N 0 1 271.408 2.921 20 30 CFEDMN CC(C)n1nccc1C=NNc1nc2ccccc2[nH]1 ZINC000794464951 629648419 /nfs/dbraw/zinc/64/84/19/629648419.db2.gz QQBRHTMZVFVIEB-UHFFFAOYSA-N 0 1 268.324 2.786 20 30 CFEDMN COc1ccc2nc(NN=Cc3cn(C)cn3)c(C)cc2c1 ZINC000794526063 629654573 /nfs/dbraw/zinc/65/45/73/629654573.db2.gz GDXAQYSUBDHAMO-UHFFFAOYSA-N 0 1 295.346 2.731 20 30 CFEDMN Cn1ccnc1N=NCc1ccc(C(F)F)cc1 ZINC000794541456 629657723 /nfs/dbraw/zinc/65/77/23/629657723.db2.gz NIFCABYVACPGKY-UHFFFAOYSA-N 0 1 250.252 2.804 20 30 CFEDMN CSCCON=Cc1ccc(N(C)CCC#N)cc1 ZINC000794574824 629663347 /nfs/dbraw/zinc/66/33/47/629663347.db2.gz RHLODFJZMNAURS-UHFFFAOYSA-N 0 1 277.393 2.750 20 30 CFEDMN O=c1[nH]c(N=NC[C@H]2CCCSC2)nc2ccccc21 ZINC000794919450 629704126 /nfs/dbraw/zinc/70/41/26/629704126.db2.gz YNCBJDACBBOKMS-SNVBAGLBSA-N 0 1 288.376 2.876 20 30 CFEDMN O=[N+]([O-])c1ccc2c(c1)C(N=Nc1cncnc1)CCC2 ZINC000794978426 629715324 /nfs/dbraw/zinc/71/53/24/629715324.db2.gz LYZHFVAEJIEVSK-UHFFFAOYSA-N 0 1 283.291 2.537 20 30 CFEDMN COC(=O)c1csc(C(C)=NNc2cccc(F)n2)c1 ZINC000795008055 629723690 /nfs/dbraw/zinc/72/36/90/629723690.db2.gz DSYBYUZNCNQHHG-UHFFFAOYSA-N 0 1 293.323 2.905 20 30 CFEDMN C[C@H](CC(=O)C(C#N)C(=O)N1CCCC1)C1CCCCC1 ZINC000102117586 629754375 /nfs/dbraw/zinc/75/43/75/629754375.db2.gz IHYNYHPARCYHBI-UKRRQHHQSA-N 0 1 290.407 2.924 20 30 CFEDMN N#CC(C(=O)NC1CCCC1)C(=O)C1CCCCCC1 ZINC000102122137 629815573 /nfs/dbraw/zinc/81/55/73/629815573.db2.gz PVNLRYVKQGZSQP-CQSZACIVSA-N 0 1 276.380 2.724 20 30 CFEDMN CN(CCCCC(C)(C)C#N)[C@@H]1CC(C)(C)OC1=O ZINC000795661826 629818693 /nfs/dbraw/zinc/81/86/93/629818693.db2.gz PMFSRKUENYGQTE-GFCCVEGCSA-N 0 1 266.385 2.732 20 30 CFEDMN N#Cc1ccc(CN[C@@H](c2cccnc2)C2CCC2)nc1 ZINC000795816599 629837110 /nfs/dbraw/zinc/83/71/10/629837110.db2.gz JYSGHDPWFVFYTA-QGZVFWFLSA-N 0 1 278.359 2.979 20 30 CFEDMN C=CCN(CC(=O)Nc1cccnc1Cl)C(C)(C)C ZINC000852554237 634777577 /nfs/dbraw/zinc/77/75/77/634777577.db2.gz IPOICFJBKVKHMD-UHFFFAOYSA-N 0 1 281.787 2.960 20 30 CFEDMN N#CC(C(=O)[C@@H]1Cc2ccc(F)cc21)c1ccccn1 ZINC000796634366 629943465 /nfs/dbraw/zinc/94/34/65/629943465.db2.gz VPILEQKHUYXMQJ-KGLIPLIRSA-N 0 1 266.275 2.737 20 30 CFEDMN Cc1cccc2nc([C@@H](C#N)C(=O)C[C@@H]3CCCOC3)[nH]c21 ZINC000796719960 629955100 /nfs/dbraw/zinc/95/51/00/629955100.db2.gz RIPNCTJCFAAPHS-STQMWFEESA-N 0 1 297.358 2.864 20 30 CFEDMN CC1(C)CC(C(=O)C(C#N)C(=O)NC2CCCCC2)C1 ZINC000796788586 629967580 /nfs/dbraw/zinc/96/75/80/629967580.db2.gz JTUBCNXXISVCEN-CYBMUJFWSA-N 0 1 276.380 2.580 20 30 CFEDMN N#C[C@@H](C(=O)CCC(F)F)c1cnc2ccccc2n1 ZINC000796900907 629986579 /nfs/dbraw/zinc/98/65/79/629986579.db2.gz SHNAGTGGZHTRHE-SECBINFHSA-N 0 1 275.258 2.851 20 30 CFEDMN CC[C@H](C)[C@@H](OC)C(=O)C(C#N)c1cnc2ccccc2n1 ZINC000796900768 629986632 /nfs/dbraw/zinc/98/66/32/629986632.db2.gz QSTCZSMLPXCPHD-XWCIJXRUSA-N 0 1 297.358 2.867 20 30 CFEDMN Cc1oncc1CNC1(c2cccc(C#N)c2)CCOCC1 ZINC000852562700 634780912 /nfs/dbraw/zinc/78/09/12/634780912.db2.gz JYFYRFDHXSARIV-UHFFFAOYSA-N 0 1 297.358 2.650 20 30 CFEDMN N#CCC1(C[NH2+]Cc2c([O-])cccc2Cl)CC1 ZINC000797469083 630070880 /nfs/dbraw/zinc/07/08/80/630070880.db2.gz TZAUSBXFQRDXJV-UHFFFAOYSA-N 0 1 250.729 2.829 20 30 CFEDMN CCN(CC)Cc1ccc(C(=O)NCC2(CC#N)CC2)o1 ZINC000797563483 630081677 /nfs/dbraw/zinc/08/16/77/630081677.db2.gz HGUYNUHZXJJYRH-UHFFFAOYSA-N 0 1 289.379 2.545 20 30 CFEDMN CC(C)[C@@H](C(=O)O[C@@H](C)c1cccc(C#N)c1)N(C)C ZINC000798824310 630242585 /nfs/dbraw/zinc/24/25/85/630242585.db2.gz GLCHQPUFWKZEMZ-WFASDCNBSA-N 0 1 274.364 2.749 20 30 CFEDMN C#C[C@H](NC(=O)[C@H](c1ccccc1)N(CC)CC)C(C)C ZINC000799048782 630270389 /nfs/dbraw/zinc/27/03/89/630270389.db2.gz VJZZVBGMGQSLJK-IRXDYDNUSA-N 0 1 286.419 2.844 20 30 CFEDMN C#C[C@H](NC(=O)[C@@H](c1ccccc1)N(CC)CC)C(C)C ZINC000799048779 630270641 /nfs/dbraw/zinc/27/06/41/630270641.db2.gz VJZZVBGMGQSLJK-DLBZAZTESA-N 0 1 286.419 2.844 20 30 CFEDMN C=C[C@@](C)(CC)C(=O)NOCc1ccccc1OC ZINC000799096295 630275240 /nfs/dbraw/zinc/27/52/40/630275240.db2.gz GUDZDRMCBNFNKR-HNNXBMFYSA-N 0 1 263.337 2.845 20 30 CFEDMN CCN(CC)c1ccc(C=NNCC(C)(C)CO)cc1F ZINC000799117547 630277862 /nfs/dbraw/zinc/27/78/62/630277862.db2.gz VOPFWGABIOSUCV-UHFFFAOYSA-N 0 1 295.402 2.614 20 30 CFEDMN Cc1cccc(F)c1N=NCc1ncc(Cl)n1C ZINC000799485515 630314137 /nfs/dbraw/zinc/31/41/37/630314137.db2.gz UJWSYZALKWGQSU-UHFFFAOYSA-N 0 1 266.707 2.967 20 30 CFEDMN C[C@@H]1CN(C)CC1N=Nc1ccc(C#N)cc1C(F)(F)F ZINC000799491457 630315266 /nfs/dbraw/zinc/31/52/66/630315266.db2.gz FRZWFDIHOYFEGU-SECBINFHSA-N 0 1 296.296 2.926 20 30 CFEDMN N#CCC[C@H](C#N)CN[C@H]1Cc2ccc(Cl)cc2C1 ZINC000799982710 630358548 /nfs/dbraw/zinc/35/85/48/630358548.db2.gz LFCCCVUFDVMQMS-ABAIWWIYSA-N 0 1 273.767 2.840 20 30 CFEDMN N#CCC1CCN(C[C@H](O)c2ccccc2Cl)CC1 ZINC000800370757 630375178 /nfs/dbraw/zinc/37/51/78/630375178.db2.gz MQWDMVPWOLGOPY-HNNXBMFYSA-N 0 1 278.783 2.999 20 30 CFEDMN CCCC[C@@H](C)C(=O)C(C#N)C(=O)Nc1ccccn1 ZINC000800385784 630376686 /nfs/dbraw/zinc/37/66/86/630376686.db2.gz BTMYGWZXHZNQKW-NEPJUHHUSA-N 0 1 273.336 2.555 20 30 CFEDMN C#C[C@H](C)N(C)C[C@@H](OC)c1ccc(Cl)cc1 ZINC000801550872 630454995 /nfs/dbraw/zinc/45/49/95/630454995.db2.gz LBWRHJVKWACHRB-SMDDNHRTSA-N 0 1 251.757 2.981 20 30 CFEDMN C#C[C@H](C)N(C)C[C@H](OC)c1ccc(Cl)cc1 ZINC000801550870 630457292 /nfs/dbraw/zinc/45/72/92/630457292.db2.gz LBWRHJVKWACHRB-FZMZJTMJSA-N 0 1 251.757 2.981 20 30 CFEDMN CC(C)[C@H](NCCC#N)[C@H](O)c1ccc(Cl)cc1 ZINC000852730339 634816477 /nfs/dbraw/zinc/81/64/77/634816477.db2.gz DEUODIIEEFZENH-UONOGXRCSA-N 0 1 266.772 2.901 20 30 CFEDMN C[C@H](C#N)OCCN[C@@H](C)c1c(F)cccc1F ZINC000801937532 630491782 /nfs/dbraw/zinc/49/17/82/630491782.db2.gz PHSGOYBPGULABG-ZJUUUORDSA-N 0 1 254.280 2.544 20 30 CFEDMN C[C@@H](C#N)OCCN1CC[C@H](c2c(F)cccc2F)C1 ZINC000801942022 630493089 /nfs/dbraw/zinc/49/30/89/630493089.db2.gz GBYHZPSIDRPHRI-RYUDHWBXSA-N 0 1 280.318 2.683 20 30 CFEDMN Cc1ccc([C@H](NCCO[C@@H](C)C#N)c2ccccn2)cc1 ZINC000801951112 630494293 /nfs/dbraw/zinc/49/42/93/630494293.db2.gz AMCFIURAAGYXQL-YJBOKZPZSA-N 0 1 295.386 2.998 20 30 CFEDMN Cc1cccc2nc([C@@H](C#N)C(=O)[C@H]3C[C@@H]3C(F)F)[nH]c21 ZINC000802087829 630501563 /nfs/dbraw/zinc/50/15/63/630501563.db2.gz FSRGNBXCQBOWCJ-GUBZILKMSA-N 0 1 289.285 2.949 20 30 CFEDMN C=CCN1CCN(CN2CC[C@@H](c3ccccc3C)C2)C1=O ZINC000839983565 630565838 /nfs/dbraw/zinc/56/58/38/630565838.db2.gz IUAHWZJTMHFTAE-MRXNPFEDSA-N 0 1 299.418 2.665 20 30 CFEDMN C=C(C)CCOC(=O)CC1(N2CCOCC2)CCCC1 ZINC000803501597 630623736 /nfs/dbraw/zinc/62/37/36/630623736.db2.gz TZTUJICGOXJXPY-UHFFFAOYSA-N 0 1 281.396 2.531 20 30 CFEDMN C#Cc1cccc(NC(=O)N2CCN(CC)C[C@@H]2CC)c1 ZINC000836252954 630780875 /nfs/dbraw/zinc/78/08/75/630780875.db2.gz CUXSHYWOEDRRQC-INIZCTEOSA-N 0 1 285.391 2.616 20 30 CFEDMN C=CCNC(=S)NCc1cc(Cl)cc(Cl)c1O ZINC000806599622 630820817 /nfs/dbraw/zinc/82/08/17/630820817.db2.gz VIBFGUYNNDAOQB-UHFFFAOYSA-N 0 1 291.203 2.849 20 30 CFEDMN N#CC(C(=O)Cc1c[nH]c2ccccc12)c1ccccn1 ZINC000041493627 649991036 /nfs/dbraw/zinc/99/10/36/649991036.db2.gz OBQBOVYMKBTWKK-CQSZACIVSA-N 0 1 275.311 2.982 20 30 CFEDMN Cc1cc2c(cc1C)C(=NNc1ncn[nH]1)CCS2 ZINC000807995991 630935094 /nfs/dbraw/zinc/93/50/94/630935094.db2.gz REWUVSVTPDJXMI-UHFFFAOYSA-N 0 1 273.365 2.734 20 30 CFEDMN CC(C)C[C@H](C)CC(=O)C(C#N)C(=O)Nc1ccccn1 ZINC000102707925 630954260 /nfs/dbraw/zinc/95/42/60/630954260.db2.gz PLMJVDXVMZGHTC-QWHCGFSZSA-N 0 1 287.363 2.801 20 30 CFEDMN C#CCOc1ccc(CNCc2cccnc2OCC)cc1 ZINC000113320326 635532819 /nfs/dbraw/zinc/53/28/19/635532819.db2.gz HRWUIODYLMPLTF-UHFFFAOYSA-N 0 1 296.370 2.782 20 30 CFEDMN C=CCCCCOC(=O)c1ccccc1NS(C)(=O)=O ZINC000837372096 631015601 /nfs/dbraw/zinc/01/56/01/631015601.db2.gz BUJHIKOXCBZVGU-UHFFFAOYSA-N 0 1 297.376 2.571 20 30 CFEDMN C#CCCCc1nc(-c2ccc3[nH]cnc3c2)no1 ZINC000809408449 631223255 /nfs/dbraw/zinc/22/32/55/631223255.db2.gz DQYCZYQKRUWQAH-UHFFFAOYSA-N 0 1 252.277 2.569 20 30 CFEDMN C#Cc1ccc(CNCc2cccc(C(=O)N(C)C)c2)cc1 ZINC000809603409 631244164 /nfs/dbraw/zinc/24/41/64/631244164.db2.gz DZVYOFPTUCFRHG-UHFFFAOYSA-N 0 1 292.382 2.660 20 30 CFEDMN Cc1cc(CNCc2ccc(C#N)cn2)cc(C)c1O ZINC000809648229 631255753 /nfs/dbraw/zinc/25/57/53/631255753.db2.gz JRFUPAZNTWEUIO-UHFFFAOYSA-N 0 1 267.332 2.566 20 30 CFEDMN C#C[C@H](C)NCc1c(C)nn(Cc2ccccc2)c1C ZINC000809683027 631260781 /nfs/dbraw/zinc/26/07/81/631260781.db2.gz MJALDJYCBHNCNZ-ZDUSSCGKSA-N 0 1 267.376 2.660 20 30 CFEDMN C#C[C@@H](NCc1cc([N+](=O)[O-])ccc1OC(F)F)C(C)C ZINC000809685385 631262597 /nfs/dbraw/zinc/26/25/97/631262597.db2.gz QGULNLBXYCEZGW-GFCCVEGCSA-N 0 1 298.289 2.944 20 30 CFEDMN CC(C)CO[C@H]1C[C@@H](NCc2nc(C#N)cs2)C1(C)C ZINC000810146439 631334044 /nfs/dbraw/zinc/33/40/44/631334044.db2.gz QTKUOTSFGDNHKW-OLZOCXBDSA-N 0 1 293.436 2.944 20 30 CFEDMN N#Cc1csc(CNCC2([C@H](O)c3ccccc3)CC2)n1 ZINC000810150939 631335718 /nfs/dbraw/zinc/33/57/18/631335718.db2.gz PJLSOYQBVSJDFI-OAHLLOKOSA-N 0 1 299.399 2.618 20 30 CFEDMN C=CCOc1ccc(C(=O)O[C@@H](C)c2n[nH]c(C)n2)cc1 ZINC000840198608 631361100 /nfs/dbraw/zinc/36/11/00/631361100.db2.gz AUGOMQVDBWKFCN-JTQLQIEISA-N 0 1 287.319 2.596 20 30 CFEDMN C=CCN1C(=O)N=NC1SCc1cc(C)nc(Cl)c1 ZINC000840198634 631361137 /nfs/dbraw/zinc/36/11/37/631361137.db2.gz BHZCBDNLHSKXOS-UHFFFAOYSA-N 0 1 296.783 2.819 20 30 CFEDMN C#CCC(C)(C)C(=O)OC[C@H]1CCCN1Cc1ccco1 ZINC000810641317 631415038 /nfs/dbraw/zinc/41/50/38/631415038.db2.gz WRKBRTMLHGYDNE-CQSZACIVSA-N 0 1 289.375 2.837 20 30 CFEDMN Cn1cc[nH+]c1[N-]N=C1CCCCc2ccc([N+](=O)[O-])cc21 ZINC000841635481 631439450 /nfs/dbraw/zinc/43/94/50/631439450.db2.gz CMPYTNYFXAZWNI-UHFFFAOYSA-N 0 1 299.334 2.871 20 30 CFEDMN CCc1ncc(C=NNc2nccnc2C2CCC2)cn1 ZINC000841637212 631440161 /nfs/dbraw/zinc/44/01/61/631440161.db2.gz HQKKIPWGHBLKRL-UHFFFAOYSA-N 0 1 282.351 2.543 20 30 CFEDMN CC(C)(C)OC(=O)N[C@@H]1CCC[C@H]1NCC1(C#N)CCC1 ZINC000841897923 631490523 /nfs/dbraw/zinc/49/05/23/631490523.db2.gz JGIJWXRZOYXPHP-CHWSQXEVSA-N 0 1 293.411 2.716 20 30 CFEDMN C=CCCCCCCNC(=O)N1CCNC(C)(C)C1 ZINC000841903182 631491456 /nfs/dbraw/zinc/49/14/56/631491456.db2.gz JLMBMBCWSXCFFQ-UHFFFAOYSA-N 0 1 267.417 2.516 20 30 CFEDMN C=CCCCCOC(=O)c1cccc(-c2nnc[nH]2)c1 ZINC000811009341 631495617 /nfs/dbraw/zinc/49/56/17/631495617.db2.gz URDZUPCZJPPURG-UHFFFAOYSA-N 0 1 271.320 2.985 20 30 CFEDMN C=CCCCCOC(=O)c1ccc(-c2nnc[nH]2)cc1 ZINC000811010276 631496435 /nfs/dbraw/zinc/49/64/35/631496435.db2.gz PAPQATKMZBHGKW-UHFFFAOYSA-N 0 1 271.320 2.985 20 30 CFEDMN C#C[C@@H](NCc1[nH]ncc1C)c1ccc(Cl)cc1 ZINC000811517054 631575612 /nfs/dbraw/zinc/57/56/12/631575612.db2.gz GZUIVAIMRQHFMO-CYBMUJFWSA-N 0 1 259.740 2.836 20 30 CFEDMN CC[C@@H](CC1CCCCC1)C(=O)C(C#N)C(=O)NC1CC1 ZINC000842288192 631580019 /nfs/dbraw/zinc/58/00/19/631580019.db2.gz CHIPLDHBTNUXPJ-ZFWWWQNUSA-N 0 1 290.407 2.970 20 30 CFEDMN C=CCNC(=O)C(C#N)C(=O)[C@@H](CC)CC1CCCCC1 ZINC000842289293 631580339 /nfs/dbraw/zinc/58/03/39/631580339.db2.gz OYWBYWPODJJWHD-LSDHHAIUSA-N 0 1 290.407 2.994 20 30 CFEDMN C=CCCCCCCCNC(=O)Cc1cc(C)n[nH]1 ZINC000811589774 631582325 /nfs/dbraw/zinc/58/23/25/631582325.db2.gz FZMPDOSSAXMPLR-UHFFFAOYSA-N 0 1 263.385 2.903 20 30 CFEDMN C[C@H]1C(N=Nc2ccncc2)CCN1Cc1ccccc1 ZINC000811646590 631591787 /nfs/dbraw/zinc/59/17/87/631591787.db2.gz FCHMVXIHROYXHD-AWEZNQCLSA-N 0 1 280.375 2.566 20 30 CFEDMN CC[C@H](O)CNN=Cc1c(Cl)cccc1N1CCCC1 ZINC000811656593 631596744 /nfs/dbraw/zinc/59/67/44/631596744.db2.gz QLCOBLXLBYUQCK-LBPRGKRZSA-N 0 1 295.814 2.635 20 30 CFEDMN C=CC[C@H](OC(=O)[C@@H]1CC1[N+](=O)[O-])c1ccccc1 ZINC000842339866 631598164 /nfs/dbraw/zinc/59/81/64/631598164.db2.gz OQSNKPDZFFDQTN-UPJWGTAASA-N 0 1 261.277 2.512 20 30 CFEDMN C(=NNC[C@@H]1CCSC1)c1cc(-c2ccccc2)[nH]n1 ZINC000811661823 631599651 /nfs/dbraw/zinc/59/96/51/631599651.db2.gz UKKUWAOPVLHAFH-LBPRGKRZSA-N 0 1 286.404 2.753 20 30 CFEDMN FC(F)(F)c1cc(C=NOC/C=C/Cl)[nH]n1 ZINC000811667851 631603142 /nfs/dbraw/zinc/60/31/42/631603142.db2.gz FLEJQWXDMVABBU-JRGPSBDVSA-N 0 1 253.611 2.532 20 30 CFEDMN Cc1ccc(N=NCc2ccnn2CC(C)C)nc1 ZINC000842526091 631652894 /nfs/dbraw/zinc/65/28/94/631652894.db2.gz JFTKVYKMLAKEJH-UHFFFAOYSA-N 0 1 257.341 2.689 20 30 CFEDMN C#CC[C@@H]1CCCN(CN2CCC(CC)(CC)C2=O)C1 ZINC000842629872 631658581 /nfs/dbraw/zinc/65/85/81/631658581.db2.gz SLYBNBBSAGOLCH-OAHLLOKOSA-N 0 1 276.424 2.718 20 30 CFEDMN C#CCON=C(C)c1ccc([O-])c(C[NH+](CC)CC)c1 ZINC000812234661 631673446 /nfs/dbraw/zinc/67/34/46/631673446.db2.gz OXFNJFZWQUETTL-UHFFFAOYSA-N 0 1 274.364 2.608 20 30 CFEDMN C(=NOC1CCC1)C1(CN2CCOCC2)CCCCC1 ZINC000812237256 631674999 /nfs/dbraw/zinc/67/49/99/631674999.db2.gz RKOPTQMMTAPKPR-UHFFFAOYSA-N 0 1 280.412 2.824 20 30 CFEDMN CC(C)OCCON=Cc1ccc(N(C)C)c(F)c1 ZINC000812240576 631678148 /nfs/dbraw/zinc/67/81/48/631678148.db2.gz VKZAPFVDWOGUJR-UHFFFAOYSA-N 0 1 268.332 2.667 20 30 CFEDMN C=CCCN(C)CN1C[C@](C)(Cc2ccccc2)CC1=O ZINC000842604178 631679265 /nfs/dbraw/zinc/67/92/65/631679265.db2.gz YYRACIYAQNSSCV-GOSISDBHSA-N 0 1 286.419 2.933 20 30 CFEDMN C#CC[C@@H]1CCCN(CN2CCN(c3ccccc3)C2=O)C1 ZINC000842630055 631685121 /nfs/dbraw/zinc/68/51/21/631685121.db2.gz WJRJVMHCVKSKTD-MRXNPFEDSA-N 0 1 297.402 2.621 20 30 CFEDMN C#CC[C@@H]1CCCN(CN2C[C@H](C3CCCC3)CC2=O)C1 ZINC000842629136 631685735 /nfs/dbraw/zinc/68/57/35/631685735.db2.gz JVTSHUUQDPZBDI-NVXWUHKLSA-N 0 1 288.435 2.718 20 30 CFEDMN CC(C)(C)C[C@@H]1C[C@H]1C(=O)C(C#N)C(=O)Nc1ccccn1 ZINC000842693676 631708697 /nfs/dbraw/zinc/70/86/97/631708697.db2.gz KYPQLQBBGPLBHL-XQQFMLRXSA-N 0 1 299.374 2.801 20 30 CFEDMN C=CCCCCCCCNC(=O)N[C@H](C)c1n[nH]c(C)n1 ZINC000812495237 631727087 /nfs/dbraw/zinc/72/70/87/631727087.db2.gz LYJKFGCWXOHPGH-GFCCVEGCSA-N 0 1 293.415 3.000 20 30 CFEDMN C#CCOc1cccc(Cl)c1CN[C@@H]1CO[C@H](C)C1 ZINC000842773534 631736502 /nfs/dbraw/zinc/73/65/02/631736502.db2.gz ABTWRVJTSGRCMQ-NEPJUHHUSA-N 0 1 279.767 2.619 20 30 CFEDMN C#Cc1cncc(C(=O)Nc2cc(C(=O)CC)ccc2O)c1 ZINC000812707512 631762394 /nfs/dbraw/zinc/76/23/94/631762394.db2.gz KTLOMTXUWKAJCN-UHFFFAOYSA-N 0 1 294.310 2.614 20 30 CFEDMN CCN(Cc1cc(Cl)ccc1OCC#N)[C@@H]1CCOC1 ZINC000812879891 631800904 /nfs/dbraw/zinc/80/09/04/631800904.db2.gz VOBYYIXKFFEBLW-CQSZACIVSA-N 0 1 294.782 2.853 20 30 CFEDMN CCC[C@H](NC[C@H](C#N)CCC#N)[C@@H](O)c1ccccc1 ZINC000843085838 631830774 /nfs/dbraw/zinc/83/07/74/631830774.db2.gz CRCXHFAPTBCBLJ-XIRDDKMYSA-N 0 1 285.391 2.922 20 30 CFEDMN C#CCN(CC(=O)N(C(C)C)C(C)C)C1CCCC1 ZINC000155808831 650033304 /nfs/dbraw/zinc/03/33/04/650033304.db2.gz INKMFIZTPMPOGO-UHFFFAOYSA-N 0 1 264.413 2.510 20 30 CFEDMN N#CC(C(=O)C1=CCOCC1)c1cc(C(F)(F)F)ccn1 ZINC000813211391 631881368 /nfs/dbraw/zinc/88/13/68/631881368.db2.gz JMDACNCSXIDNGK-LLVKDONJSA-N 0 1 296.248 2.623 20 30 CFEDMN N#CC(C(=O)C1CCOCC1)c1cc(C(F)(F)F)ccn1 ZINC000813211622 631881446 /nfs/dbraw/zinc/88/14/46/631881446.db2.gz NNTKXMAJLOKRCY-LLVKDONJSA-N 0 1 298.264 2.703 20 30 CFEDMN N#CC(C(=O)C1CC1)c1cc(C(F)(F)F)ccn1 ZINC000813216414 631882474 /nfs/dbraw/zinc/88/24/74/631882474.db2.gz RCFOHXBNSPEGOP-SECBINFHSA-N 0 1 254.211 2.687 20 30 CFEDMN Cc1nc(NCc2n[nH]c(-c3ccccc3)n2)ccc1C#N ZINC000813589762 631936401 /nfs/dbraw/zinc/93/64/01/631936401.db2.gz KFWVXDNXQRMDHA-UHFFFAOYSA-N 0 1 290.330 2.659 20 30 CFEDMN Cc1nc(NCc2nc(-c3ccccc3)n[nH]2)ccc1C#N ZINC000813589762 631936403 /nfs/dbraw/zinc/93/64/03/631936403.db2.gz KFWVXDNXQRMDHA-UHFFFAOYSA-N 0 1 290.330 2.659 20 30 CFEDMN C#CC1CCN(Cc2nn(CC)c3ccccc23)CC1 ZINC000843426776 631954623 /nfs/dbraw/zinc/95/46/23/631954623.db2.gz KFBSUGMJIDIYDM-UHFFFAOYSA-N 0 1 267.376 2.901 20 30 CFEDMN C#CC1CCN(Cc2cc(OC)ccc2OCOC)CC1 ZINC000843426661 631954729 /nfs/dbraw/zinc/95/47/29/631954729.db2.gz FSGYOPATRLPBPC-UHFFFAOYSA-N 0 1 289.375 2.523 20 30 CFEDMN C=CCC(C)(C)COC(=O)C(C)(C)NC(=O)C(F)(F)F ZINC000814004304 631991546 /nfs/dbraw/zinc/99/15/46/631991546.db2.gz KPVLBNYBOZZIQS-UHFFFAOYSA-N 0 1 295.301 2.589 20 30 CFEDMN N#Cc1ccc(O)c(NC(=O)C2CC3(CCC3)C2)c1 ZINC000843842199 632066190 /nfs/dbraw/zinc/06/61/90/632066190.db2.gz HIIGHUQHYYQELZ-UHFFFAOYSA-N 0 1 256.305 2.783 20 30 CFEDMN C=CCC(CC=C)C(=O)OCc1nnc(C(C)(C)C)[nH]1 ZINC000814460415 632069768 /nfs/dbraw/zinc/06/97/68/632069768.db2.gz XTCBWUTYRQAOOE-UHFFFAOYSA-N 0 1 277.368 2.914 20 30 CFEDMN C=CCC(CC=C)C(=O)OCc1n[nH]c(C(C)(C)C)n1 ZINC000814460415 632069773 /nfs/dbraw/zinc/06/97/73/632069773.db2.gz XTCBWUTYRQAOOE-UHFFFAOYSA-N 0 1 277.368 2.914 20 30 CFEDMN C=CCC1(C(=O)OCc2nnc(C(C)(C)C)[nH]2)CCC1 ZINC000814467361 632072400 /nfs/dbraw/zinc/07/24/00/632072400.db2.gz HGJHOQZYXPOBMS-UHFFFAOYSA-N 0 1 277.368 2.892 20 30 CFEDMN C=CCC1(C(=O)OCc2n[nH]c(C(C)(C)C)n2)CCC1 ZINC000814467361 632072405 /nfs/dbraw/zinc/07/24/05/632072405.db2.gz HGJHOQZYXPOBMS-UHFFFAOYSA-N 0 1 277.368 2.892 20 30 CFEDMN CCCCCCCN1CCC[C@H](CS(C)(=O)=O)C1 ZINC000814641308 632101321 /nfs/dbraw/zinc/10/13/21/632101321.db2.gz AWDKDVJBNFGRRC-AWEZNQCLSA-N 0 1 275.458 2.713 20 30 CFEDMN FC(F)(F)c1n[nH]c(=S)n1N=Cc1ccc(Cl)o1 ZINC000814723460 632114500 /nfs/dbraw/zinc/11/45/00/632114500.db2.gz GJQRTHPFRWGFAV-UHFFFAOYSA-N 0 1 296.661 2.714 20 30 CFEDMN Cc1ccc(NN=C2COc3cc(F)cc(F)c32)nc1 ZINC000814831631 632134194 /nfs/dbraw/zinc/13/41/94/632134194.db2.gz KICLLXWOARCHMT-UHFFFAOYSA-N 0 1 275.258 2.877 20 30 CFEDMN CSCc1cnc(CN=Nc2cc(C)ncn2)s1 ZINC000814846214 632136871 /nfs/dbraw/zinc/13/68/71/632136871.db2.gz JOJMSKMHSNFQFF-UHFFFAOYSA-N 0 1 279.394 2.551 20 30 CFEDMN C=CCc1cc(CNCc2cncnc2)cc(OC)c1OC ZINC000105477989 632137572 /nfs/dbraw/zinc/13/75/72/632137572.db2.gz SWLWBIVWEQXZHG-UHFFFAOYSA-N 0 1 299.374 2.512 20 30 CFEDMN C[C@@H]1C(N=NCC(F)F)CCCN1Cc1ccccc1 ZINC000814853595 632138890 /nfs/dbraw/zinc/13/88/90/632138890.db2.gz PYEQAAFYICKSEB-GFCCVEGCSA-N 0 1 281.350 2.882 20 30 CFEDMN Fc1cccc(N=NCc2ccccc2-n2cncn2)c1F ZINC000814859081 632140646 /nfs/dbraw/zinc/14/06/46/632140646.db2.gz JHNICNLOKFITPD-UHFFFAOYSA-N 0 1 299.284 2.992 20 30 CFEDMN CSc1ccc(C=NNC2=N[C@@H]3CCCC[C@@H]3N2)s1 ZINC000814886057 632149065 /nfs/dbraw/zinc/14/90/65/632149065.db2.gz PZNWULIWZRRJJS-PHIMTYICSA-N 0 1 294.449 2.664 20 30 CFEDMN CC(N=Nc1ccnc(F)c1)c1cccc(-n2cnnc2)c1 ZINC000814902332 632156687 /nfs/dbraw/zinc/15/66/87/632156687.db2.gz KLZCBFIFKCEQQX-UHFFFAOYSA-N 0 1 296.309 2.638 20 30 CFEDMN COCC(=NNc1nccn1C)c1cccc(Cl)c1 ZINC000814918520 632164367 /nfs/dbraw/zinc/16/43/67/632164367.db2.gz SWEZHDAJPPGJBC-UHFFFAOYSA-N 0 1 278.743 2.536 20 30 CFEDMN CC(C)OCCON=Cc1cc(Cl)c(F)cc1O ZINC000814936865 632173619 /nfs/dbraw/zinc/17/36/19/632173619.db2.gz MKUNTVRTGQOPKW-UHFFFAOYSA-N 0 1 275.707 2.960 20 30 CFEDMN C[C@H](c1cccc(C#N)c1)N(C)C[C@H]1CN(C2CC2)C(=O)O1 ZINC000844342903 632174595 /nfs/dbraw/zinc/17/45/95/632174595.db2.gz LFSOKBFSPBGICI-WBMJQRKESA-N 0 1 299.374 2.534 20 30 CFEDMN COC(=O)c1cc(CN=Nc2ccc(F)c(F)c2F)c[nH]1 ZINC000814946708 632177980 /nfs/dbraw/zinc/17/79/80/632177980.db2.gz UWAPJXGQKWVJSJ-UHFFFAOYSA-N 0 1 297.236 2.665 20 30 CFEDMN CC(=NNC[C@H](C)O)c1ccc(N2CCCCC2)c(F)c1 ZINC000814960080 632179564 /nfs/dbraw/zinc/17/95/64/632179564.db2.gz NSHAPJNGTPUOEM-LBPRGKRZSA-N 0 1 293.386 2.510 20 30 CFEDMN CCC(=NNc1cnnn1C)c1ccc(Cl)s1 ZINC000814980064 632184298 /nfs/dbraw/zinc/18/42/98/632184298.db2.gz XPYMQXVWJBUWSG-UHFFFAOYSA-N 0 1 269.761 2.756 20 30 CFEDMN CC(=NNc1cnnn1C)c1ccc(OCC(C)C)cc1 ZINC000814981765 632184308 /nfs/dbraw/zinc/18/43/08/632184308.db2.gz PCOPJQZBMUOIJF-UHFFFAOYSA-N 0 1 287.367 2.686 20 30 CFEDMN CC(C)c1cccc2c1OCCC2N=Nc1cnnn1C ZINC000814982340 632185105 /nfs/dbraw/zinc/18/51/05/632185105.db2.gz WPUVIRTZDAQZFD-UHFFFAOYSA-N 0 1 285.351 2.537 20 30 CFEDMN CC(=NNc1cnnn1C)c1cccc(-c2ccncc2)c1 ZINC000814984418 632186406 /nfs/dbraw/zinc/18/64/06/632186406.db2.gz ZYDDXVSJJHHYFV-UHFFFAOYSA-N 0 1 292.346 2.713 20 30 CFEDMN C[C@H]1CN(Cc2ccc(OCC#N)cc2)C2(CCC2)CO1 ZINC000844421285 632204408 /nfs/dbraw/zinc/20/44/08/632204408.db2.gz FTODCFHOJANUPK-AWEZNQCLSA-N 0 1 286.375 2.732 20 30 CFEDMN N#CCOc1ccc(Cl)cc1CN1CCC[C@H](O)CC1 ZINC000815299930 632245723 /nfs/dbraw/zinc/24/57/23/632245723.db2.gz VRNQXAQUDZRKPX-AWEZNQCLSA-N 0 1 294.782 2.589 20 30 CFEDMN C=C[C@@H](C)ON=CC1(CN2CCOCC2)CCCCC1 ZINC000844621459 632265902 /nfs/dbraw/zinc/26/59/02/632265902.db2.gz HJUSJOWQBKTMBS-OAHLLOKOSA-N 0 1 280.412 2.846 20 30 CFEDMN N#CC1(COC(=O)[C@H]2CCCCN2C2CCCC2)CC1 ZINC000815443792 632274387 /nfs/dbraw/zinc/27/43/87/632274387.db2.gz KAGNGZZAZUWWLS-CQSZACIVSA-N 0 1 276.380 2.630 20 30 CFEDMN C=CCN1CCN(CN2CCc3ccccc3[C@H](C)C2)C1=O ZINC000844742540 632294625 /nfs/dbraw/zinc/29/46/25/632294625.db2.gz PBJCLYHJXRSUJS-OAHLLOKOSA-N 0 1 299.418 2.529 20 30 CFEDMN N#CC(C(=O)Nc1ccccc1)C(=O)c1ncoc1C1CC1 ZINC000815907658 632332117 /nfs/dbraw/zinc/33/21/17/632332117.db2.gz HAMXFQPQBIAAIQ-LBPRGKRZSA-N 0 1 295.298 2.513 20 30 CFEDMN N#CC(C(=O)Nc1ccccn1)C(=O)[C@H]1CC2CCC1CC2 ZINC000815915444 632333412 /nfs/dbraw/zinc/33/34/12/632333412.db2.gz OWVATDMFOBOIQR-CLRIEMFWSA-N 0 1 297.358 2.555 20 30 CFEDMN CC[C@H](C#N)C(=O)N[C@H](C)c1nc2ccc(Cl)cc2[nH]1 ZINC000845490095 632447603 /nfs/dbraw/zinc/44/76/03/632447603.db2.gz KPPYKFAIVWAHQI-RKDXNWHRSA-N 0 1 290.754 2.943 20 30 CFEDMN C#CCN(CC#CC)Cc1cc(Cl)c(F)cc1O ZINC000816513275 632475231 /nfs/dbraw/zinc/47/52/31/632475231.db2.gz LPFMCVXHRCOAIO-UHFFFAOYSA-N 0 1 265.715 2.643 20 30 CFEDMN C#C[C@@H](C)NCc1cn(-c2cccc(C)c2)nc1C ZINC000845973228 632607183 /nfs/dbraw/zinc/60/71/83/632607183.db2.gz VUSUGQAVRGEESI-CYBMUJFWSA-N 0 1 253.349 2.600 20 30 CFEDMN C#C[C@@H](NCc1cc(F)c(OC)cc1OC)C(C)C ZINC000845972858 632607204 /nfs/dbraw/zinc/60/72/04/632607204.db2.gz PXZSXVDLECTJMN-CYBMUJFWSA-N 0 1 265.328 2.590 20 30 CFEDMN C=CCc1cc(CN2C[C@H]3[C@@H](C2)C3(F)F)cc(OC)c1O ZINC000846110925 632634640 /nfs/dbraw/zinc/63/46/40/632634640.db2.gz IXWQTKHRGBBYFQ-BETUJISGSA-N 0 1 295.329 2.826 20 30 CFEDMN C=CC[N@H+](CCCOc1cccc(Cl)c1)CC(=O)[O-] ZINC000846263240 632677176 /nfs/dbraw/zinc/67/71/76/632677176.db2.gz HJGJDXFMHUMICY-UHFFFAOYSA-N 0 1 283.755 2.682 20 30 CFEDMN C=C(CN(C)C)C(=O)Nc1ccc2c(c1)C(=O)CCCC2 ZINC000817689552 632685784 /nfs/dbraw/zinc/68/57/84/632685784.db2.gz ZKUAFEUIWLEECF-UHFFFAOYSA-N 0 1 286.375 2.652 20 30 CFEDMN N#CC(C(=O)Nc1ccc(Cl)cc1)C(=O)[C@@H]1CC12CC2 ZINC000817714346 632690250 /nfs/dbraw/zinc/69/02/50/632690250.db2.gz QTBNTBMJRSIOPP-RYUDHWBXSA-N 0 1 288.734 2.787 20 30 CFEDMN C=C(C)CONC(=O)[C@@H](C)[C@@H]1OCCc2sccc21 ZINC000846534301 632723965 /nfs/dbraw/zinc/72/39/65/632723965.db2.gz OYQUKJVAZRKRGJ-GWCFXTLKSA-N 0 1 281.377 2.622 20 30 CFEDMN C=C(C)CONC(=O)[C@@H]1COc2ccc(Cl)cc2C1 ZINC000846540108 632728548 /nfs/dbraw/zinc/72/85/48/632728548.db2.gz NAONLRKYEOTYLF-NSHDSACASA-N 0 1 281.739 2.515 20 30 CFEDMN C=C[C@H](C)ONC(=O)[C@H]1COc2ccc(Cl)cc2C1 ZINC000846543231 632731637 /nfs/dbraw/zinc/73/16/37/632731637.db2.gz MRMRKLGHVYZKMG-GXSJLCMTSA-N 0 1 281.739 2.513 20 30 CFEDMN C=C[C@H](C)ONC(=O)[C@H](C)c1cn(C)c2ccccc12 ZINC000846547022 632735433 /nfs/dbraw/zinc/73/54/33/632735433.db2.gz AOXBKSQLICXGFG-NWDGAFQWSA-N 0 1 272.348 2.904 20 30 CFEDMN C=C[C@@H](C)ONC(=O)[C@H]1CCc2c1cccc2Cl ZINC000846547099 632735594 /nfs/dbraw/zinc/73/55/94/632735594.db2.gz AYURZGUXLJKOLM-SKDRFNHKSA-N 0 1 265.740 2.992 20 30 CFEDMN N#C[C@H]1CC[C@@H](NCc2c(Cl)nc3ccccn32)C1 ZINC000818231148 632817658 /nfs/dbraw/zinc/81/76/58/632817658.db2.gz VROHKYHNMSFLCP-WDEREUQCSA-N 0 1 274.755 2.770 20 30 CFEDMN C#C[C@H]1CCCN(CC(=O)N[C@H]2CCCc3ccccc32)C1 ZINC000847022379 632887260 /nfs/dbraw/zinc/88/72/60/632887260.db2.gz HBRNNESURVPTIL-YJBOKZPZSA-N 0 1 296.414 2.525 20 30 CFEDMN C#C[C@@H]1CCCN([C@@H](C)C(=O)N2CCCc3ccccc32)C1 ZINC000847025562 632891383 /nfs/dbraw/zinc/89/13/83/632891383.db2.gz CHLHILPRQMCIKO-JKSUJKDBSA-N 0 1 296.414 2.700 20 30 CFEDMN C#C[C@@H]1CCCN([C@H](C)C(=O)Nc2ccc(C)c(C)c2)C1 ZINC000847029904 632893715 /nfs/dbraw/zinc/89/37/15/632893715.db2.gz OECFFJRLTQZODI-HZPDHXFCSA-N 0 1 284.403 2.976 20 30 CFEDMN C#C[C@@H]1CCCN([C@H](C)C(=O)N(CC)c2ccccc2)C1 ZINC000847032983 632896566 /nfs/dbraw/zinc/89/65/66/632896566.db2.gz ZQCXXXAUBBNAIS-HZPDHXFCSA-N 0 1 284.403 2.773 20 30 CFEDMN CC(C)(C#N)CNC[C@H](O)c1ccc(Br)cc1 ZINC000819218891 633024226 /nfs/dbraw/zinc/02/42/26/633024226.db2.gz MKZAMFFEIPDXAS-LBPRGKRZSA-N 0 1 297.196 2.622 20 30 CFEDMN C#C[C@H]1CCCN(C(=O)c2cn[nH]c2-c2ccccc2F)C1 ZINC000848282114 633231362 /nfs/dbraw/zinc/23/13/62/633231362.db2.gz QVKBMYWMNZTXDZ-LBPRGKRZSA-N 0 1 297.333 2.701 20 30 CFEDMN C[C@@H](NN=C1CCCN2CCCC[C@H]12)C(F)(F)F ZINC000848412623 633252493 /nfs/dbraw/zinc/25/24/93/633252493.db2.gz WNEUEIMSOJSVLE-MWLCHTKSSA-N 0 1 263.307 2.531 20 30 CFEDMN COC(=O)c1cc(CNCc2ccc(C#N)cc2)c(C)o1 ZINC000848895211 633381180 /nfs/dbraw/zinc/38/11/80/633381180.db2.gz SPGCQSBROIVTEQ-UHFFFAOYSA-N 0 1 284.315 2.536 20 30 CFEDMN COC(=O)/C=C\c1ccc(CN2CCC(C)(C#N)CC2)o1 ZINC000848901232 633389285 /nfs/dbraw/zinc/38/92/85/633389285.db2.gz PXTAJIJLPHABJZ-WAYWQWQTSA-N 0 1 288.347 2.591 20 30 CFEDMN C#C[C@@H](C)NCc1cn(-c2ccc(C)cc2)nc1C ZINC000848910771 633395752 /nfs/dbraw/zinc/39/57/52/633395752.db2.gz PWKNDJZQXMNSEN-CYBMUJFWSA-N 0 1 253.349 2.600 20 30 CFEDMN C#C[C@@H]1CCCN(Cc2cc(-c3ccccc3)n[nH]2)C1 ZINC000848924475 633407941 /nfs/dbraw/zinc/40/79/41/633407941.db2.gz SZOKINWGUJSALP-CQSZACIVSA-N 0 1 265.360 2.922 20 30 CFEDMN Cc1ccc(C(=O)/C=C/c2cn(C3CCC3)nn2)c(O)c1 ZINC000849247044 633589812 /nfs/dbraw/zinc/58/98/12/633589812.db2.gz OSVQLVIPHHDQLX-SOFGYWHQSA-N 0 1 283.331 2.913 20 30 CFEDMN C#CC[C@H]1CCC[N@H+]([C@H](C)c2ccc(C(=O)[O-])o2)C1 ZINC000849344653 633623121 /nfs/dbraw/zinc/62/31/21/633623121.db2.gz QPMTYXFNSKFXHV-NEPJUHHUSA-N 0 1 261.321 2.774 20 30 CFEDMN CCc1nc([C@H](C)OC(=O)C=Cc2ccccc2C#N)n[nH]1 ZINC000849673146 633666583 /nfs/dbraw/zinc/66/65/83/633666583.db2.gz RRAWJYAYEDJJNJ-IQQGHNRFSA-N 0 1 296.330 2.556 20 30 CFEDMN C=CC[C@@H](NCc1cnn2c1CCC2)c1ccncc1 ZINC000850137028 633852524 /nfs/dbraw/zinc/85/25/24/633852524.db2.gz ILEZTNPMDNFXDA-OAHLLOKOSA-N 0 1 268.364 2.631 20 30 CFEDMN CO[C@@H](C(=O)C(C#N)c1nc(C)cs1)C1CCCC1 ZINC000850737086 634068387 /nfs/dbraw/zinc/06/83/87/634068387.db2.gz QINXICZNUKDHFD-WCQYABFASA-N 0 1 278.377 2.833 20 30 CFEDMN N#CC(C(=O)[C@@H]1COC[C@H]1c1ccccc1)c1ccccn1 ZINC000850757328 634081451 /nfs/dbraw/zinc/08/14/51/634081451.db2.gz YWTJPXGGKHNULD-HRCADAONSA-N 0 1 292.338 2.688 20 30 CFEDMN CC1(C)OC[C@@H]2C[C@@]21C(=O)C(C#N)c1nc2ccccc2o1 ZINC000850782374 634090464 /nfs/dbraw/zinc/09/04/64/634090464.db2.gz LWYLFOGFAMOUMV-DINDLPBHSA-N 0 1 296.326 2.819 20 30 CFEDMN C=CCN1CC[C@@H](NC(=O)c2cscc2C(F)F)C1 ZINC001014477540 651186444 /nfs/dbraw/zinc/18/64/44/651186444.db2.gz KEPXUXHFBWGRNA-SECBINFHSA-N 0 1 286.347 2.676 20 30 CFEDMN N#C[C@H](C(=O)CCCF)c1cnc2ccccc2n1 ZINC000850987336 634168322 /nfs/dbraw/zinc/16/83/22/634168322.db2.gz ZZZGIZRDTDIMHE-JTQLQIEISA-N 0 1 257.268 2.556 20 30 CFEDMN CCn1nccc1CNCc1ccc(N(C)CCC#N)cc1 ZINC000853094104 634902300 /nfs/dbraw/zinc/90/23/00/634902300.db2.gz YGUCVSIEOYAHTJ-UHFFFAOYSA-N 0 1 297.406 2.543 20 30 CFEDMN CCCn1nccc1C=NNc1nc2ccccc2n1C ZINC000853290745 634959945 /nfs/dbraw/zinc/95/99/45/634959945.db2.gz IMBCQTCYJNPYGY-UHFFFAOYSA-N 0 1 282.351 2.626 20 30 CFEDMN Clc1ccc(N=NC2CCCn3nccc32)cn1 ZINC000853312599 634965528 /nfs/dbraw/zinc/96/55/28/634965528.db2.gz AGPOAHPVTTVUHA-UHFFFAOYSA-N 0 1 261.716 2.542 20 30 CFEDMN FC(F)(F)c1ccnc(NN=Cc2cnc3n2CCC3)c1 ZINC000853353311 634981498 /nfs/dbraw/zinc/98/14/98/634981498.db2.gz XPPZIGZODSCTBU-UHFFFAOYSA-N 0 1 295.268 2.689 20 30 CFEDMN CC(C)n1nccc1C=NNc1ccc(Cl)cn1 ZINC000853437455 634999093 /nfs/dbraw/zinc/99/90/93/634999093.db2.gz OIIQXXFRCIPGFE-UHFFFAOYSA-N 0 1 263.732 2.958 20 30 CFEDMN C=CC[C@H]1CCCN(Cn2c3ccccc3oc2=O)C1 ZINC000853536425 635030716 /nfs/dbraw/zinc/03/07/16/635030716.db2.gz SMFSQGYQEQIEAN-ZDUSSCGKSA-N 0 1 272.348 2.840 20 30 CFEDMN C[C@]1(C#N)CCN(Cc2cc3c(cc2O)CCC3)C1 ZINC000853599311 635046152 /nfs/dbraw/zinc/04/61/52/635046152.db2.gz NXRAPPWNMXSJMX-MRXNPFEDSA-N 0 1 256.349 2.616 20 30 CFEDMN C=CCCO[N-]C(=O)[C@H](c1cccc(Cl)c1)[NH+](C)C ZINC000856032454 635708140 /nfs/dbraw/zinc/70/81/40/635708140.db2.gz ODGLHKPFYRDFQV-ZDUSSCGKSA-N 0 1 282.771 2.567 20 30 CFEDMN C[C@H](CC1CCCC1)C(=O)C(C#N)C(=O)Nc1ccccn1 ZINC000114618637 635866529 /nfs/dbraw/zinc/86/65/29/635866529.db2.gz FJZKKCVZPUEBOJ-TZMCWYRMSA-N 0 1 299.374 2.945 20 30 CFEDMN C[C@H](CC1CCCC1)C(=O)C(C#N)C(=O)Nc1ccccn1 ZINC000114618642 635866638 /nfs/dbraw/zinc/86/66/38/635866638.db2.gz FJZKKCVZPUEBOJ-OCCSQVGLSA-N 0 1 299.374 2.945 20 30 CFEDMN C=C(Cl)CNCc1c(C)[nH]c(C(=O)OCC)c1C ZINC000858142228 636138313 /nfs/dbraw/zinc/13/83/13/636138313.db2.gz WWFLHICRKHSFAU-UHFFFAOYSA-N 0 1 270.760 2.650 20 30 CFEDMN C[C@@H](NC[C@H](O)CC1(C#N)CC1)c1c(F)cccc1F ZINC000859229573 636515782 /nfs/dbraw/zinc/51/57/82/636515782.db2.gz ZDZUQTMMWDBHHC-GHMZBOCLSA-N 0 1 280.318 2.670 20 30 CFEDMN CCCCCCCCCS(=O)(=O)NCc1cnc[nH]1 ZINC000859236484 636519052 /nfs/dbraw/zinc/51/90/52/636519052.db2.gz YLNYHTHZFFGTEB-UHFFFAOYSA-N 0 1 287.429 2.580 20 30 CFEDMN C=CC[C@@H]1CCN(Cc2cn(Cc3ccccc3)nn2)C1 ZINC000859445811 636566747 /nfs/dbraw/zinc/56/67/47/636566747.db2.gz PLXQRPKHAQOXKZ-OAHLLOKOSA-N 0 1 282.391 2.724 20 30 CFEDMN C#CCCN1CCC[C@]2(CC(=O)c3ccccc3O2)C1 ZINC000859581684 636609112 /nfs/dbraw/zinc/60/91/12/636609112.db2.gz QSGKEAMLURINTC-KRWDZBQOSA-N 0 1 269.344 2.510 20 30 CFEDMN CCCCCNC(=O)C(C#N)C(=O)C[C@@H](C)CCC ZINC000194581944 636791429 /nfs/dbraw/zinc/79/14/29/636791429.db2.gz WLCZOPLVQZZFRK-QWHCGFSZSA-N 0 1 266.385 2.828 20 30 CFEDMN CCCCCNC(=O)[C@H](C#N)C(=O)[C@@H]1CCCC12CC2 ZINC000860463544 636890875 /nfs/dbraw/zinc/89/08/75/636890875.db2.gz DLHOCQJVCMCNJC-OLZOCXBDSA-N 0 1 276.380 2.582 20 30 CFEDMN CCCCCNC(=O)[C@@H](C#N)C(=O)[C@H]1CCCC12CC2 ZINC000860463545 636891246 /nfs/dbraw/zinc/89/12/46/636891246.db2.gz DLHOCQJVCMCNJC-QWHCGFSZSA-N 0 1 276.380 2.582 20 30 CFEDMN N#C[C@H](C(=O)CC(C1CCC1)C1CCC1)C(=O)NC1CC1 ZINC000860472646 636892662 /nfs/dbraw/zinc/89/26/62/636892662.db2.gz CAHROOCKQRYHDE-OAHLLOKOSA-N 0 1 288.391 2.580 20 30 CFEDMN Cc1cccc2nc([C@@H](C#N)C(=O)C34CC(C3)C4)[nH]c21 ZINC000860557166 636910870 /nfs/dbraw/zinc/91/08/70/636910870.db2.gz UFQJPOHONLVUBG-CSJGVYOVSA-N 0 1 265.316 2.848 20 30 CFEDMN C#C[C@@H](CC)NCc1cc(F)c(N(C)C)cc1F ZINC000862364007 637336521 /nfs/dbraw/zinc/33/65/21/637336521.db2.gz YTRXOEQHIRYLCA-NSHDSACASA-N 0 1 252.308 2.532 20 30 CFEDMN C#CC1CCN(Cc2ccc(F)c(F)c2N(C)C)CC1 ZINC000862400384 637357390 /nfs/dbraw/zinc/35/73/90/637357390.db2.gz WVTGGLPRKYQQOY-UHFFFAOYSA-N 0 1 278.346 2.876 20 30 CFEDMN C#CC[C@H]1CCN(Cc2cncc(Br)c2C)C1 ZINC000862447585 637387265 /nfs/dbraw/zinc/38/72/65/637387265.db2.gz ORBWUZLKPOIUJM-LBPRGKRZSA-N 0 1 293.208 2.998 20 30 CFEDMN C#CC[C@H](CCOC)[NH2+]Cc1cc(Cl)c(C)cc1[O-] ZINC000862548557 637420433 /nfs/dbraw/zinc/42/04/33/637420433.db2.gz IDVIGJZZKTZOHM-CYBMUJFWSA-N 0 1 281.783 2.872 20 30 CFEDMN C#CC[C@H]1CCN(C(=O)c2cc(-c3cccs3)[nH]n2)C1 ZINC000862562988 637430843 /nfs/dbraw/zinc/43/08/43/637430843.db2.gz HLBNHONCULGULX-NSHDSACASA-N 0 1 285.372 2.624 20 30 CFEDMN C#CC[C@@H]1CCN(C(=O)[C@H](c2ccccc2)N(CC)CC)C1 ZINC000862566947 637432554 /nfs/dbraw/zinc/43/25/54/637432554.db2.gz WVOHSLFUAKHIPH-AEFFLSMTSA-N 0 1 298.430 2.941 20 30 CFEDMN C#CC[C@H]1CCN(C(=O)c2cc(C3CCCCC3)[nH]n2)C1 ZINC000862572075 637438660 /nfs/dbraw/zinc/43/86/60/637438660.db2.gz YOVWHRKUZKEZSS-ZDUSSCGKSA-N 0 1 285.391 2.943 20 30 CFEDMN C#CC[C@@H]1CCN(C(=O)c2cc(CCCCC)[nH]n2)C1 ZINC000862576330 637441509 /nfs/dbraw/zinc/44/15/09/637441509.db2.gz HCXWYJMJUUUFKU-CYBMUJFWSA-N 0 1 273.380 2.628 20 30 CFEDMN CC#CC(=O)N[C@H](CN(C)C)c1ccc(Cl)c(Cl)c1 ZINC000863036449 637541437 /nfs/dbraw/zinc/54/14/37/637541437.db2.gz AIQURQFWJMPVMO-CYBMUJFWSA-N 0 1 299.201 2.736 20 30 CFEDMN CCc1cnccc1C(C)=NNc1ccncc1C ZINC000863157109 637571468 /nfs/dbraw/zinc/57/14/68/637571468.db2.gz IPIAMGSOKRDKON-UHFFFAOYSA-N 0 1 254.337 2.605 20 30 CFEDMN Cc1cnccc1[N-][NH+]=C1CCCNc2ccccc21 ZINC000863157694 637571684 /nfs/dbraw/zinc/57/16/84/637571684.db2.gz GDBAHUBTRRPBST-UHFFFAOYSA-N 0 1 266.348 2.834 20 30 CFEDMN Cc1cc([N-][NH+]=C2CCCc3cc(N)ccc32)ccn1 ZINC000863159582 637573890 /nfs/dbraw/zinc/57/38/90/637573890.db2.gz XBOJHQBHBVCGCT-UHFFFAOYSA-N 0 1 266.348 2.547 20 30 CFEDMN C=CCCCN(C)Cn1cnc(-c2ccccc2)n1 ZINC000119725301 637821235 /nfs/dbraw/zinc/82/12/35/637821235.db2.gz VSPZTRPFJDABTB-UHFFFAOYSA-N 0 1 256.353 2.801 20 30 CFEDMN C#CCCN1CC[C@@H](NC(=O)c2c(C)csc2Cl)C1 ZINC001016111716 651224891 /nfs/dbraw/zinc/22/48/91/651224891.db2.gz SXDDKNATSGPCPP-LLVKDONJSA-N 0 1 296.823 2.537 20 30 CFEDMN C=C(C)C[C@H]([NH2+]Cc1nc2ccccc2n1CC)C(=O)[O-] ZINC000864529538 638013637 /nfs/dbraw/zinc/01/36/37/638013637.db2.gz JDUJDZURQVHNCU-ZDUSSCGKSA-N 0 1 287.363 2.565 20 30 CFEDMN C#CCN(C(=O)c1n[nH]cc1C(F)(F)F)C1CCCCC1 ZINC000865037604 638168832 /nfs/dbraw/zinc/16/88/32/638168832.db2.gz JVXRXODEBKVCND-UHFFFAOYSA-N 0 1 299.296 2.837 20 30 CFEDMN CCC[C@H](C)C(=O)C(C#N)C(=O)NC1CCCCC1 ZINC000076826837 650405953 /nfs/dbraw/zinc/40/59/53/650405953.db2.gz WZCRYDKTSNBEEM-WCQYABFASA-N 0 1 264.369 2.580 20 30 CFEDMN Cc1cc(CNc2cc(C(F)(F)F)cc(C#N)n2)n[nH]1 ZINC000865539182 638407506 /nfs/dbraw/zinc/40/75/06/638407506.db2.gz SMMTXMGNFRPVBD-UHFFFAOYSA-N 0 1 281.241 2.616 20 30 CFEDMN C[C@H](C#N)Oc1ccc(CN[C@@H]2CCCn3nccc32)cc1 ZINC000865871301 638629667 /nfs/dbraw/zinc/62/96/67/638629667.db2.gz GVMHEXBPWPMGMD-CZUORRHYSA-N 0 1 296.374 2.799 20 30 CFEDMN C=C[C@@H]1OCC[C@H]1CNc1ccncc1C(F)(F)F ZINC000865889496 638645264 /nfs/dbraw/zinc/64/52/64/638645264.db2.gz LMBDILCMSPRSKS-CABZTGNLSA-N 0 1 272.270 2.525 20 30 CFEDMN C[C@H]([NH2+]C1CCN(CC2CC2)CC1)c1cccc(C#N)c1[O-] ZINC000866239176 638777349 /nfs/dbraw/zinc/77/73/49/638777349.db2.gz RJTHMAXNYLKKMX-ZDUSSCGKSA-N 0 1 299.418 2.789 20 30 CFEDMN C[C@H]([NH2+][C@@H]1CCCc2c[nH]nc21)c1cccc(C#N)c1[O-] ZINC000866304933 638793438 /nfs/dbraw/zinc/79/34/38/638793438.db2.gz BTZRTLRYOKFASX-IINYFYTJSA-N 0 1 282.347 2.715 20 30 CFEDMN C[C@H](C(=O)C(C#N)C(=O)NC1CCCC1)c1cccs1 ZINC000121837027 638897886 /nfs/dbraw/zinc/89/78/86/638897886.db2.gz WIPJIMANWWRNMF-CMPLNLGQSA-N 0 1 290.388 2.619 20 30 CFEDMN CN(C(=O)[C@H]1NCCc2cc(C#N)ccc21)C1CCCCC1 ZINC000867941520 638907002 /nfs/dbraw/zinc/90/70/02/638907002.db2.gz HDLQUSDBKMZPIM-KRWDZBQOSA-N 0 1 297.402 2.536 20 30 CFEDMN C[C@@H](N(C)C(=O)[C@H]1NCCc2cc(C#N)ccc21)C(C)(C)C ZINC000867948350 638908025 /nfs/dbraw/zinc/90/80/25/638908025.db2.gz TYKGMRSCHZEELK-WBMJQRKESA-N 0 1 299.418 2.638 20 30 CFEDMN Cc1ccc(C(=O)/C=C/c2cn(C(C)(C)C)nn2)c(O)c1 ZINC000191320332 650490008 /nfs/dbraw/zinc/49/00/08/650490008.db2.gz LFBRIEWVRDAVHV-SOFGYWHQSA-N 0 1 285.347 2.943 20 30 CFEDMN Cc1cc(C(C#N)C(=O)[C@@H]2C[C@@H]2[C@H]2C[C@H]2C)nc(C)n1 ZINC000870135605 639528019 /nfs/dbraw/zinc/52/80/19/639528019.db2.gz AUHURNOIQNXGSI-IFVOIRTQSA-N 0 1 269.348 2.562 20 30 CFEDMN CC[C@H](CC(=O)[C@H](C#N)C(=O)NC(C)C)C(C)(C)C ZINC000870145847 639528977 /nfs/dbraw/zinc/52/89/77/639528977.db2.gz RHQMEPUUAPGCLL-NEPJUHHUSA-N 0 1 266.385 2.682 20 30 CFEDMN Cc1cccc2nc([C@H](C#N)C(=O)[C@@H]3C[C@@H](C)O[C@H]3C)[nH]c21 ZINC000870207726 639545214 /nfs/dbraw/zinc/54/52/14/639545214.db2.gz OAZVSIXXDXGFPY-YVECIDJPSA-N 0 1 297.358 2.861 20 30 CFEDMN CCCCSCC(=O)Nc1nc2ccc(C#N)cc2[nH]1 ZINC000871071474 641185398 /nfs/dbraw/zinc/18/53/98/641185398.db2.gz WTUMRXSZNRIVLZ-UHFFFAOYSA-N 0 1 288.376 2.906 20 30 CFEDMN CC(C)OCCCC(=O)Nc1nc2ccc(C#N)cc2[nH]1 ZINC000871072985 641186144 /nfs/dbraw/zinc/18/61/44/641186144.db2.gz PWESKZKODVVRDJ-UHFFFAOYSA-N 0 1 286.335 2.578 20 30 CFEDMN CS[C@@H](C)CCC(=O)Nc1nc2ccc(C#N)cc2[nH]1 ZINC000871072356 641187142 /nfs/dbraw/zinc/18/71/42/641187142.db2.gz KCRAAFLUDIQXLP-VIFPVBQESA-N 0 1 288.376 2.905 20 30 CFEDMN CCCCCNC(=O)[C@@H](C#N)C(=O)C1C(C)(C)C1(C)C ZINC000080254828 650654829 /nfs/dbraw/zinc/65/48/29/650654829.db2.gz ZVZYUOSDILLEBD-NSHDSACASA-N 0 1 278.396 2.684 20 30 CFEDMN CC(C)(c1nc(C2(N)CCC2)no1)c1ccc(C#N)cc1 ZINC000871787394 641456809 /nfs/dbraw/zinc/45/68/09/641456809.db2.gz TZAFHSUUIMCAQU-UHFFFAOYSA-N 0 1 282.347 2.605 20 30 CFEDMN Cc1csc([C@@H](C)NC[C@H](O)c2ccc(C#N)cc2)n1 ZINC000080313833 650662706 /nfs/dbraw/zinc/66/27/06/650662706.db2.gz DSLBAGODWKEADO-RISCZKNCSA-N 0 1 287.388 2.707 20 30 CFEDMN C=CCCn1cc(CNc2ccc3c(n2)CCCC3)nn1 ZINC000871865401 641490126 /nfs/dbraw/zinc/49/01/26/641490126.db2.gz XTBNGIAQWCSPAY-UHFFFAOYSA-N 0 1 283.379 2.740 20 30 CFEDMN C[C@H]1CCC2=NN(c3cc(C#N)cc(Cl)n3)C(=O)[C@H]2C1 ZINC000871954521 641526616 /nfs/dbraw/zinc/52/66/16/641526616.db2.gz KGOTWTQPFFJXGT-WPRPVWTQSA-N 0 1 288.738 2.745 20 30 CFEDMN C=C[C@@H]1OCC[C@H]1N[C@H](C)c1c(F)cccc1[N+](=O)[O-] ZINC000872075971 641608373 /nfs/dbraw/zinc/60/83/73/641608373.db2.gz HFWHMQWRURFKNL-XWIASGKRSA-N 0 1 280.299 2.728 20 30 CFEDMN CCO[C@@H](C)C(=O)C(C#N)c1nc(C(C)C)cs1 ZINC000080459617 650675496 /nfs/dbraw/zinc/67/54/96/650675496.db2.gz PLVASNGPVOMTSU-VHSXEESVSA-N 0 1 266.366 2.868 20 30 CFEDMN C=CCOCCCN[C@H](C)c1c(F)cccc1[N+](=O)[O-] ZINC000872086356 641619878 /nfs/dbraw/zinc/61/98/78/641619878.db2.gz VQZZKHHVWYCPNH-LLVKDONJSA-N 0 1 282.315 2.977 20 30 CFEDMN C#Cc1ccc(CN2CCN(C)c3ncccc3C2)cc1 ZINC000872267343 641727339 /nfs/dbraw/zinc/72/73/39/641727339.db2.gz OESHLDVPYIVVKQ-UHFFFAOYSA-N 0 1 277.371 2.515 20 30 CFEDMN CC(C)C1(C=Nn2c(=O)c3ccccc3[nH]c2=S)CC1 ZINC000872339350 641759063 /nfs/dbraw/zinc/75/90/63/641759063.db2.gz HQOYNEZBNGIEGQ-UHFFFAOYSA-N 0 1 287.388 2.955 20 30 CFEDMN Cc1cccnc1N=NCc1ccnn1CC1CCC1 ZINC000872369007 641774225 /nfs/dbraw/zinc/77/42/25/641774225.db2.gz XNKCZIFILIWMKW-UHFFFAOYSA-N 0 1 269.352 2.833 20 30 CFEDMN COc1c(C)cnc(C=NNc2cccc(C)n2)c1C ZINC000872393038 641788813 /nfs/dbraw/zinc/78/88/13/641788813.db2.gz IPKBVFDCKSTJFC-UHFFFAOYSA-N 0 1 270.336 2.856 20 30 CFEDMN COc1c(C)cnc(C=N[N-]c2cccc(C)[nH+]2)c1C ZINC000872393038 641788820 /nfs/dbraw/zinc/78/88/20/641788820.db2.gz IPKBVFDCKSTJFC-UHFFFAOYSA-N 0 1 270.336 2.856 20 30 CFEDMN CC(=NN1CCC1)c1ccc([O-])c(C[NH+]2CCCCC2)c1 ZINC000872396061 641791184 /nfs/dbraw/zinc/79/11/84/641791184.db2.gz PMURTFUZKJTFTO-UHFFFAOYSA-N 0 1 287.407 2.808 20 30 CFEDMN CC(=NN1CCC1)c1cc(Br)cc(F)c1O ZINC000872397151 641792160 /nfs/dbraw/zinc/79/21/60/641792160.db2.gz NRGOONHBTIFFFC-UHFFFAOYSA-N 0 1 287.132 2.724 20 30 CFEDMN Cc1cc(N=NC(C)c2ccc(C)c(C)c2O)nc(N)n1 ZINC000872420186 641804706 /nfs/dbraw/zinc/80/47/06/641804706.db2.gz MEGNZFMKUIRTNA-UHFFFAOYSA-N 0 1 285.351 2.526 20 30 CFEDMN Cc1ncc(C(=O)C(C#N)C(=O)Nc2cccc(C)c2)s1 ZINC000194680214 650723932 /nfs/dbraw/zinc/72/39/32/650723932.db2.gz ILJGGGBGVSYEJF-LBPRGKRZSA-N 0 1 299.355 2.721 20 30 CFEDMN Cc1ccc2[nH]ncc2c1C(=O)OCCCSCC#N ZINC000873488817 642220079 /nfs/dbraw/zinc/22/00/79/642220079.db2.gz XGUQXLZYYQWFMV-UHFFFAOYSA-N 0 1 289.360 2.675 20 30 CFEDMN CC(C)C[C@@H](C(=O)[O-])[N@@H+](C)CCc1cccc(C#N)c1 ZINC000873643456 642285110 /nfs/dbraw/zinc/28/51/10/642285110.db2.gz IJPMQRJMESQQPJ-HNNXBMFYSA-N 0 1 274.364 2.532 20 30 CFEDMN COc1ccc(CNCc2ccc([N+](=O)[O-])cc2)cc1C#N ZINC000124984825 642378770 /nfs/dbraw/zinc/37/87/70/642378770.db2.gz FOGQHXFOXRBFFN-UHFFFAOYSA-N 0 1 297.314 2.765 20 30 CFEDMN C=C(C)COCC[NH2+]Cc1cc(Cl)ccc1[O-] ZINC000125781841 642779650 /nfs/dbraw/zinc/77/96/50/642779650.db2.gz PVDIHNKORYGIEZ-UHFFFAOYSA-N 0 1 255.745 2.728 20 30 CFEDMN CC(C)[N@@H+](CCC#N)Cc1ccc(F)c(F)c1[O-] ZINC000876610998 642943432 /nfs/dbraw/zinc/94/34/32/642943432.db2.gz ODLHFXIUXHIIRZ-UHFFFAOYSA-N 0 1 254.280 2.794 20 30 CFEDMN C#CCN(Cc1cccc(C#N)n1)C1CCCCC1 ZINC000876643460 642956237 /nfs/dbraw/zinc/95/62/37/642956237.db2.gz YOGSWSWESPONGT-UHFFFAOYSA-N 0 1 253.349 2.721 20 30 CFEDMN C=C(Br)CN[C@@H](C)CC1(C#N)CCOCC1 ZINC000877019694 643106152 /nfs/dbraw/zinc/10/61/52/643106152.db2.gz CPFZYOIRCRFYGM-NSHDSACASA-N 0 1 287.201 2.584 20 30 CFEDMN CC(C)(C)OC(=O)N1CC2CC1(CNCC(C)(C)C#N)C2 ZINC000877323061 643237710 /nfs/dbraw/zinc/23/77/10/643237710.db2.gz HNXVEITWLWXVLK-UHFFFAOYSA-N 0 1 293.411 2.525 20 30 CFEDMN COC[C@H]1CCCCN(Cc2cc(C#N)cnc2Cl)C1 ZINC000877396449 643258692 /nfs/dbraw/zinc/25/86/92/643258692.db2.gz XIGRXROJURBOLT-LBPRGKRZSA-N 0 1 293.798 2.855 20 30 CFEDMN CC(C)(C)OC(=O)N[C@H]1C[C@H](NCC2(C#N)CC2)C1(C)C ZINC000877495059 643307730 /nfs/dbraw/zinc/30/77/30/643307730.db2.gz XUKHVPLZCFRZBQ-RYUDHWBXSA-N 0 1 293.411 2.572 20 30 CFEDMN C#C[C@H]1CCCN(Cc2c(OC)cccc2OC)C1 ZINC000877616529 643402043 /nfs/dbraw/zinc/40/20/43/643402043.db2.gz DAQWWYXDNVFURB-ZDUSSCGKSA-N 0 1 259.349 2.549 20 30 CFEDMN C#C[C@@H](NCc1nc(C(C)(C)C)cs1)C1CCOCC1 ZINC000877637259 643421164 /nfs/dbraw/zinc/42/11/64/643421164.db2.gz GNVOPSACXCTTIK-CYBMUJFWSA-N 0 1 292.448 2.959 20 30 CFEDMN C#CC[C@H](COC)NCc1ccc2ccc(F)c(F)c2n1 ZINC000877662310 643439754 /nfs/dbraw/zinc/43/97/54/643439754.db2.gz PPBIEVSGZFOLOO-CYBMUJFWSA-N 0 1 290.313 2.641 20 30 CFEDMN Cc1cc(CN(C)CCc2cccc(C#N)c2)on1 ZINC000877705199 643472270 /nfs/dbraw/zinc/47/22/70/643472270.db2.gz VZGRXNHSTSNQMO-UHFFFAOYSA-N 0 1 255.321 2.529 20 30 CFEDMN N#Cc1cccc(CN[C@@H]2CC=CC[C@H]2C(F)(F)F)n1 ZINC000877760923 643540196 /nfs/dbraw/zinc/54/01/96/643540196.db2.gz OIKUNPXBSSJXKY-CHWSQXEVSA-N 0 1 281.281 2.940 20 30 CFEDMN N#Cc1cnc(Cl)c(CNC[C@@H]2C[C@@H]3CCC[C@@H]3O2)c1 ZINC000877806116 643568502 /nfs/dbraw/zinc/56/85/02/643568502.db2.gz NCQMVNQTRZYZGC-UBHSHLNASA-N 0 1 291.782 2.654 20 30 CFEDMN C#Cc1cccc(NC(=O)CN(C)[C@@H](C)CC=C)c1 ZINC000877974727 643674819 /nfs/dbraw/zinc/67/48/19/643674819.db2.gz BCTATCIPPSWKCJ-ZDUSSCGKSA-N 0 1 256.349 2.503 20 30 CFEDMN C#CCN(CCCS(=O)(=O)C(C)(C)C)C1CCCCC1 ZINC000878000307 643687618 /nfs/dbraw/zinc/68/76/18/643687618.db2.gz AKFGVYWPFHHUKY-UHFFFAOYSA-N 0 1 299.480 2.858 20 30 CFEDMN C=C(C)CN(CC)C(=O)[C@@H]1c2cn[nH]c2CC[C@@H]1C ZINC000878007171 643691134 /nfs/dbraw/zinc/69/11/34/643691134.db2.gz NQBFBZKHWQBZFL-FZMZJTMJSA-N 0 1 261.369 2.500 20 30 CFEDMN C=CC[C@@H](C(=O)OC)N(CC)CCc1cccs1 ZINC000878015248 643693221 /nfs/dbraw/zinc/69/32/21/643693221.db2.gz UBTCEIBPCUKFFO-ZDUSSCGKSA-N 0 1 267.394 2.730 20 30 CFEDMN C[C@H]1CCc2[nH]ncc2[C@@H]1C(=O)Nc1cccc(C#N)c1 ZINC000878026412 643700196 /nfs/dbraw/zinc/70/01/96/643700196.db2.gz WBQZFQBAOUIEJH-ZUZCIYMTSA-N 0 1 280.331 2.586 20 30 CFEDMN C=CC[C@H](C)N1CCN(C(=O)c2cc3ccccc3[nH]2)CC1 ZINC000878031448 643702688 /nfs/dbraw/zinc/70/26/88/643702688.db2.gz ZPTDNPOUSVROLO-AWEZNQCLSA-N 0 1 297.402 2.890 20 30 CFEDMN C=CC[C@H](C(=O)OC)N1CCC(n2c(C)ccc2C)CC1 ZINC000878035126 643703971 /nfs/dbraw/zinc/70/39/71/643703971.db2.gz OALUZACIRILCGU-MRXNPFEDSA-N 0 1 290.407 2.860 20 30 CFEDMN C[C@@H]1CCc2[nH]ncc2[C@@H]1C(=O)Nc1ccc(CC#N)cc1 ZINC000878072686 643722350 /nfs/dbraw/zinc/72/23/50/643722350.db2.gz JKUQGQDITHOPFJ-BDJLRTHQSA-N 0 1 294.358 2.780 20 30 CFEDMN C[C@@H]1CCc2[nH]ncc2[C@H]1C(=O)Nc1ccc(CC#N)cc1 ZINC000878072691 643722696 /nfs/dbraw/zinc/72/26/96/643722696.db2.gz JKUQGQDITHOPFJ-BZNIZROVSA-N 0 1 294.358 2.780 20 30 CFEDMN CC(C)CCN(CCC#N)CCc1ccc(C(N)=O)cc1 ZINC000878159864 643767258 /nfs/dbraw/zinc/76/72/58/643767258.db2.gz XYHLDRXJEGWKHW-UHFFFAOYSA-N 0 1 287.407 2.590 20 30 CFEDMN C=CC[C@H](C)N1CCN([C@@H](C)C(F)(F)F)CC1 ZINC000878167240 643774361 /nfs/dbraw/zinc/77/43/61/643774361.db2.gz CMJLQRHRFKXHOS-QWRGUYRKSA-N 0 1 250.308 2.519 20 30 CFEDMN CC(C)[C@@H](C#N)N1CCN(CC[C@@H]2CCCC2(F)F)CC1 ZINC000878310343 643833051 /nfs/dbraw/zinc/83/30/51/643833051.db2.gz KJSXRWKUOJTOEE-LSDHHAIUSA-N 0 1 299.409 2.978 20 30 CFEDMN N#C[C@@H](C(=O)NC1CCCCC1)C(=O)[C@H]1[C@@H]2CCCC[C@@H]21 ZINC000246531115 650872874 /nfs/dbraw/zinc/87/28/74/650872874.db2.gz PKQYSUIUNDEFQY-BARDWOONSA-N 0 1 288.391 2.580 20 30 CFEDMN C[C@@H]1CN(CC2(CC#N)CC2)C[C@H]1NC(=O)OC(C)(C)C ZINC000878516008 643923510 /nfs/dbraw/zinc/92/35/10/643923510.db2.gz AQNASZMWPLURED-CHWSQXEVSA-N 0 1 293.411 2.525 20 30 CFEDMN CCN(C)C(=O)OC[C@H]1CCCCN1CC1(CC#N)CC1 ZINC000878615850 643959766 /nfs/dbraw/zinc/95/97/66/643959766.db2.gz QLJQWVDEBRQPKB-CQSZACIVSA-N 0 1 293.411 2.623 20 30 CFEDMN N#Cc1ccc(CN2CCC[C@H](c3ccccn3)C2)o1 ZINC000878648529 643974149 /nfs/dbraw/zinc/97/41/49/643974149.db2.gz PNQXNYLCKRAKMW-ZDUSSCGKSA-N 0 1 267.332 2.926 20 30 CFEDMN C[C@H]1CN(Cc2ccc(CF)cc2)C[C@H](C)N1CC#N ZINC000878772834 644021563 /nfs/dbraw/zinc/02/15/63/644021563.db2.gz SGCNLSOCGLUHMJ-KBPBESRZSA-N 0 1 275.371 2.574 20 30 CFEDMN C#CCCN1CCN([C@@H](C)c2c(F)cccc2F)CC1 ZINC000127364869 644052003 /nfs/dbraw/zinc/05/20/03/644052003.db2.gz BVRXJANEGFQSCB-ZDUSSCGKSA-N 0 1 278.346 2.667 20 30 CFEDMN C=CC[C@H]1CCN(Cc2nccc(C)c2C(=O)OCC)C1 ZINC000879032309 644118975 /nfs/dbraw/zinc/11/89/75/644118975.db2.gz RENWGGSZGVCPQR-AWEZNQCLSA-N 0 1 288.391 2.965 20 30 CFEDMN C#CCOCCNC(C)(C)c1nc2cc(Cl)ccc2o1 ZINC000879160061 644162685 /nfs/dbraw/zinc/16/26/85/644162685.db2.gz OZTVDAUQWORQBE-UHFFFAOYSA-N 0 1 292.766 2.956 20 30 CFEDMN C[C@@H](C#N)OCCN1CCC(Oc2ccccc2F)CC1 ZINC000879195594 644171094 /nfs/dbraw/zinc/17/10/94/644171094.db2.gz PJRYMJVKRLWXEG-ZDUSSCGKSA-N 0 1 292.354 2.598 20 30 CFEDMN COC(=O)[C@H](c1ccc(C#N)cc1)N1C[C@@H]2CC=CC[C@@H]2C1 ZINC000879529822 644309123 /nfs/dbraw/zinc/30/91/23/644309123.db2.gz WESDGWYFWLJTEW-BBWFWOEESA-N 0 1 296.370 2.670 20 30 CFEDMN N#Cc1ccc(F)cc1CN1CC[C@H]2CSC[C@H]2C1 ZINC000879559831 644321142 /nfs/dbraw/zinc/32/11/42/644321142.db2.gz PSJGBNMCDVAJKP-GXTWGEPZSA-N 0 1 276.380 2.882 20 30 CFEDMN C[C@@H]1CC[C@@H](CC(=O)C(C#N)C(=O)NCc2ccccc2)C1 ZINC000247694898 650915185 /nfs/dbraw/zinc/91/51/85/650915185.db2.gz TUKXIYCCFMNBAL-BMFZPTHFSA-N 0 1 298.386 2.838 20 30 CFEDMN C[C@H](NCC#Cc1cccc(Cl)c1)c1ccnn1C ZINC000879686241 644380456 /nfs/dbraw/zinc/38/04/56/644380456.db2.gz WVHGNRKQPXPEED-LBPRGKRZSA-N 0 1 273.767 2.776 20 30 CFEDMN CNC(=O)C[N@@H+](CCCC(C)(C)C#N)Cc1ccccc1 ZINC000879754090 644412816 /nfs/dbraw/zinc/41/28/16/644412816.db2.gz KKXYNJHDEYDZNM-UHFFFAOYSA-N 0 1 287.407 2.565 20 30 CFEDMN CNC(=O)CN(CCCC(C)(C)C#N)Cc1ccccc1 ZINC000879754090 644412818 /nfs/dbraw/zinc/41/28/18/644412818.db2.gz KKXYNJHDEYDZNM-UHFFFAOYSA-N 0 1 287.407 2.565 20 30 CFEDMN C=CC[C@H](CC)NC(=O)[C@@H]1c2cn[nH]c2CC[C@H]1C ZINC000879856878 644448318 /nfs/dbraw/zinc/44/83/18/644448318.db2.gz VGDRONOCXOYYII-SUNKGSAMSA-N 0 1 261.369 2.547 20 30 CFEDMN CC(=O)Nc1ccc2c(c1)CN([C@@H]1CC[C@H](C#N)C1)CC2 ZINC000880032295 644507834 /nfs/dbraw/zinc/50/78/34/644507834.db2.gz CEJSZZLFJJJSGT-SUMWQHHRSA-N 0 1 283.375 2.695 20 30 CFEDMN C=C(CC)CN1C[C@@H](C(=O)OCC)[C@H](C(F)(F)F)C1 ZINC000880158246 644559035 /nfs/dbraw/zinc/55/90/35/644559035.db2.gz ZRNAKTYEZDLGAV-GHMZBOCLSA-N 0 1 279.302 2.626 20 30 CFEDMN C[C@@H](C(=O)Nc1cccc(C#N)c1)N1CCC[C@@H](CF)C1 ZINC000880233865 644595140 /nfs/dbraw/zinc/59/51/40/644595140.db2.gz OGMNMHRCSAIDGM-JSGCOSHPSA-N 0 1 289.354 2.567 20 30 CFEDMN Cc1cc(C#N)cc(NC(=O)[C@@H]2c3cn[nH]c3CC[C@@H]2C)c1 ZINC000880245070 644608096 /nfs/dbraw/zinc/60/80/96/644608096.db2.gz HGWUQCUMHIYQPP-ZBEGNZNMSA-N 0 1 294.358 2.894 20 30 CFEDMN C#CCC1(O)CCN([C@@H](C)c2ccc(F)c(F)c2)CC1 ZINC000880479188 644729794 /nfs/dbraw/zinc/72/97/94/644729794.db2.gz LSNJABSHKIUZEG-LBPRGKRZSA-N 0 1 279.330 2.876 20 30 CFEDMN C=CCCCC(=O)N1CCN(C)[C@H](C(C)(C)C)C1 ZINC000880614007 644787979 /nfs/dbraw/zinc/78/79/79/644787979.db2.gz OUJWXFRMAWZNSG-ZDUSSCGKSA-N 0 1 252.402 2.531 20 30 CFEDMN CC(C)C(N)=NOCCOc1ccc(Cl)cc1 ZINC000128587740 644816767 /nfs/dbraw/zinc/81/67/67/644816767.db2.gz OAIWUZQLSAJAEP-UHFFFAOYSA-N 0 1 256.733 2.664 20 30 CFEDMN C[C@@H]1CCc2[nH]ncc2[C@@H]1C(=O)Nc1cc(F)cc(C#N)c1 ZINC000880978026 644887149 /nfs/dbraw/zinc/88/71/49/644887149.db2.gz FAARIEDYXDVFLA-RFAUZJTJSA-N 0 1 298.321 2.725 20 30 CFEDMN C=CCCC[C@@H](NC(=O)CCc1c[nH]nn1)c1ccccc1 ZINC000882235627 645250239 /nfs/dbraw/zinc/25/02/39/645250239.db2.gz UDHQFNOYAKGDPR-MRXNPFEDSA-N 0 1 298.390 2.951 20 30 CFEDMN C=CCCC[C@@H](NC(=O)CCc1cnn[nH]1)c1ccccc1 ZINC000882235627 645250243 /nfs/dbraw/zinc/25/02/43/645250243.db2.gz UDHQFNOYAKGDPR-MRXNPFEDSA-N 0 1 298.390 2.951 20 30 CFEDMN N#Cc1cc(F)ccc1NS(=O)(=O)C1=CCCCC1 ZINC000882723703 645433996 /nfs/dbraw/zinc/43/39/96/645433996.db2.gz KSSYNSBFSSZQBG-UHFFFAOYSA-N 0 1 280.324 2.897 20 30 CFEDMN C#CC[C@H](CO)NCc1ccc(-c2cccc(F)c2C)o1 ZINC000883124062 645614684 /nfs/dbraw/zinc/61/46/84/645614684.db2.gz UZIBSGTYLJYLBP-CYBMUJFWSA-N 0 1 287.334 2.868 20 30 CFEDMN C=CCC[C@H](NCc1csc(COC)n1)[C@H]1CCCO1 ZINC000883222989 645673964 /nfs/dbraw/zinc/67/39/64/645673964.db2.gz FWJFYFOUZJPIDT-UONOGXRCSA-N 0 1 296.436 2.893 20 30 CFEDMN C#Cc1ccc(CN[C@@]2(c3ccccc3)C[C@@H](O)C2)cc1 ZINC000883233488 645683217 /nfs/dbraw/zinc/68/32/17/645683217.db2.gz JUQMTEHMPWMWOT-KDURUIRLSA-N 0 1 277.367 2.808 20 30 CFEDMN C=CCC[C@H](NCc1nn(C)cc1C(F)F)[C@@H]1CCCO1 ZINC000883242941 645691196 /nfs/dbraw/zinc/69/11/96/645691196.db2.gz WZMCRWIGOCXKIU-JSGCOSHPSA-N 0 1 299.365 2.961 20 30 CFEDMN C=CCC[C@H](COc1ccccc1)NCc1nonc1C ZINC000883244437 645692137 /nfs/dbraw/zinc/69/21/37/645692137.db2.gz MWDDRKUZIYMJIK-CQSZACIVSA-N 0 1 287.363 2.881 20 30 CFEDMN C=CCC[C@@H](COc1ccccc1)NCc1nonc1C ZINC000883244436 645692361 /nfs/dbraw/zinc/69/23/61/645692361.db2.gz MWDDRKUZIYMJIK-AWEZNQCLSA-N 0 1 287.363 2.881 20 30 CFEDMN C#CCN(Cc1ccc(OC)cc1OC)C(C)(C)C ZINC000132215047 645895262 /nfs/dbraw/zinc/89/52/62/645895262.db2.gz VULXBWVJTZJROM-UHFFFAOYSA-N 0 1 261.365 2.938 20 30 CFEDMN CC#CCN1CCC(N(C)C(=O)c2cc(C)ccc2C)CC1 ZINC001006342858 645999772 /nfs/dbraw/zinc/99/97/72/645999772.db2.gz JTICPGJUXAAFCX-UHFFFAOYSA-N 0 1 298.430 2.863 20 30 CFEDMN CC(C)Oc1ccc([N+](=O)[O-])cc1CON=C(N)C(C)C ZINC000133679782 646203828 /nfs/dbraw/zinc/20/38/28/646203828.db2.gz WNQWIOCXAGBNRX-UHFFFAOYSA-N 0 1 295.339 2.827 20 30 CFEDMN CC(=NNCCN1CCCCC1)c1c(C)cc(O)cc1C ZINC000884418318 646348859 /nfs/dbraw/zinc/34/88/59/646348859.db2.gz FOPAPCDUHJVLNA-UHFFFAOYSA-N 0 1 289.423 2.809 20 30 CFEDMN COCc1c(C)cc(C)c(CN=Nc2cnn(C)c2)c1C ZINC000884455434 646367691 /nfs/dbraw/zinc/36/76/91/646367691.db2.gz KXBAGIUOUJTGAA-UHFFFAOYSA-N 0 1 286.379 2.938 20 30 CFEDMN C#Cc1cccnc1N1CCC(c2nc(C)c(C)[nH]2)CC1 ZINC000884705667 646534618 /nfs/dbraw/zinc/53/46/18/646534618.db2.gz DBULDIKJZWKYNH-UHFFFAOYSA-N 0 1 280.375 2.787 20 30 CFEDMN Cc1nc(C2CCN(c3cc(C)nc(C#N)c3)CC2)[nH]c1C ZINC000884706781 646535371 /nfs/dbraw/zinc/53/53/71/646535371.db2.gz NQMBNINMYHXKPN-UHFFFAOYSA-N 0 1 295.390 2.986 20 30 CFEDMN COc1ccc(CNCC2(CC#N)CC2)c(F)c1OC ZINC000886102377 646873295 /nfs/dbraw/zinc/87/32/95/646873295.db2.gz GBQMNLFVCWYHKU-UHFFFAOYSA-N 0 1 278.327 2.626 20 30 CFEDMN C#CCn1ccc(CN(CC)CC[C@@H]2C[C@H]2C2CC2)n1 ZINC000886177041 646909437 /nfs/dbraw/zinc/90/94/37/646909437.db2.gz SVJOATWTXAGHMI-WBVHZDCISA-N 0 1 271.408 2.774 20 30 CFEDMN C#CCN1CCC[C@H](NCc2c(Cl)cncc2Cl)C1 ZINC000886209947 646922867 /nfs/dbraw/zinc/92/28/67/646922867.db2.gz ZEIYQCCUZGRLBX-NSHDSACASA-N 0 1 298.217 2.576 20 30 CFEDMN C=CC[C@@H]1CCCN(Cc2cccnc2[N+](=O)[O-])C1 ZINC000886277392 646947937 /nfs/dbraw/zinc/94/79/37/646947937.db2.gz PDYQGGRKZANORQ-GFCCVEGCSA-N 0 1 261.325 2.778 20 30 CFEDMN N#CCOc1ccc(Cl)cc1CN1C[C@@H]2C[C@@H]2C1 ZINC000886333796 646974969 /nfs/dbraw/zinc/97/49/69/646974969.db2.gz NOMHFWUVPJMZHS-PHIMTYICSA-N 0 1 262.740 2.694 20 30 CFEDMN C#CC[C@@H]1CC[N@H+]([C@H](C)C(=O)Nc2cccc(C)c2C)C1 ZINC000886353826 646983007 /nfs/dbraw/zinc/98/30/07/646983007.db2.gz QSECHELDNCRTQP-HZPDHXFCSA-N 0 1 284.403 2.976 20 30 CFEDMN C#CC[C@@H]1CCN([C@@H](C)c2nc3ccccc3c(=O)[nH]2)C1 ZINC000886360663 646986788 /nfs/dbraw/zinc/98/67/88/646986788.db2.gz ZFDIUGLTEZOYIC-QWHCGFSZSA-N 0 1 281.359 2.742 20 30 CFEDMN C#CC[C@@H]1CCN([C@@H](C(=O)OCC)c2ccccc2)C1 ZINC000886363002 646988014 /nfs/dbraw/zinc/98/80/14/646988014.db2.gz XBGNAHKQCSNZFB-GDBMZVCRSA-N 0 1 271.360 2.636 20 30 CFEDMN C#CC[C@@H]1CCN(Cc2ccn(CCc3ccccc3)n2)C1 ZINC000886365464 646988620 /nfs/dbraw/zinc/98/86/20/646988620.db2.gz JCEZKYZASQPFDJ-GOSISDBHSA-N 0 1 293.414 2.971 20 30 CFEDMN C#CC[C@@H]1CCN(Cc2ccc(F)cc2[N+](=O)[O-])C1 ZINC000886365394 646988829 /nfs/dbraw/zinc/98/88/29/646988829.db2.gz HIRCJUZCRSTGMM-LLVKDONJSA-N 0 1 262.284 2.579 20 30 CFEDMN C#CC[C@H]1CCN(Cc2cncc(C(F)(F)F)c2)C1 ZINC000886365807 646989648 /nfs/dbraw/zinc/98/96/48/646989648.db2.gz PUGUYYICLHBADP-NSHDSACASA-N 0 1 268.282 2.946 20 30 CFEDMN C#CCC1(NCc2csc(C3CC3)n2)CCOCC1 ZINC000886381435 646993182 /nfs/dbraw/zinc/99/31/82/646993182.db2.gz CFPSWNKNWSFZHI-UHFFFAOYSA-N 0 1 276.405 2.683 20 30 CFEDMN C=CCN1CCN(CC=C)[C@@H](Cc2ccc(F)cc2)C1 ZINC000886374853 646993361 /nfs/dbraw/zinc/99/33/61/646993361.db2.gz ORXZRSWVHPOXFB-KRWDZBQOSA-N 0 1 274.383 2.726 20 30 CFEDMN C[C@H]1CCN(CC(=O)NC2(C#N)CCC2)[C@H]1c1ccccc1 ZINC000886543740 647040753 /nfs/dbraw/zinc/04/07/53/647040753.db2.gz UUPRMSVVCZJJEN-WMLDXEAASA-N 0 1 297.402 2.632 20 30 CFEDMN N#CCc1ccc(CN[C@H]2CCc3cccnc32)cc1 ZINC000886629877 647077368 /nfs/dbraw/zinc/07/73/68/647077368.db2.gz QCUJNKOKKUQXSF-INIZCTEOSA-N 0 1 263.344 2.925 20 30 CFEDMN C#CCC1(NC(=O)[C@@H]2c3cn[nH]c3CC[C@@H]2C)CCCCC1 ZINC000886658978 647093536 /nfs/dbraw/zinc/09/35/36/647093536.db2.gz YILOXAFMZLMANS-BBRMVZONSA-N 0 1 299.418 2.918 20 30 CFEDMN CC(C)OC(=O)C1CCN(Cc2ccc(C#N)cc2)CC1 ZINC000886720225 647122124 /nfs/dbraw/zinc/12/21/24/647122124.db2.gz XFLUPMOWTNVUNY-UHFFFAOYSA-N 0 1 286.375 2.722 20 30 CFEDMN C=CCC1(O)CCN(CC#Cc2ccc(F)cc2)CC1 ZINC000886773932 647133307 /nfs/dbraw/zinc/13/33/07/647133307.db2.gz DUVSZQOYAJAHCV-UHFFFAOYSA-N 0 1 273.351 2.580 20 30 CFEDMN C=C1CCC(C(=O)N2C[C@H](C)N(CC)C[C@@H]2C)CC1 ZINC000889788406 647671314 /nfs/dbraw/zinc/67/13/14/647671314.db2.gz DEJBDGNVUSOWSQ-KBPBESRZSA-N 0 1 264.413 2.674 20 30 CFEDMN C[C@H](CC(C)(C)C#N)N[C@H](C)c1nnc2ccccn21 ZINC000924588911 648001709 /nfs/dbraw/zinc/00/17/09/648001709.db2.gz MVIPKVQPRVNLTE-VXGBXAGGSA-N 0 1 271.368 2.708 20 30 CFEDMN C[C@@H](NC[C@]1(C(F)(F)F)CCCN1)c1cccc(C#N)c1 ZINC000925853966 648346130 /nfs/dbraw/zinc/34/61/30/648346130.db2.gz KHARZJGPCCHDEC-RISCZKNCSA-N 0 1 297.324 2.893 20 30 CFEDMN C[C@H](NC[C@]1(C(F)(F)F)CCCN1)c1ccc(C#N)cc1 ZINC000925857648 648346849 /nfs/dbraw/zinc/34/68/49/648346849.db2.gz VLCGPGVRHWBVEM-FZMZJTMJSA-N 0 1 297.324 2.893 20 30 CFEDMN C=CCS(=O)(=O)CCN[C@H](C)c1coc2ccccc21 ZINC000926125160 648411231 /nfs/dbraw/zinc/41/12/31/648411231.db2.gz HJVCRGGNPWOQCT-GFCCVEGCSA-N 0 1 293.388 2.684 20 30 CFEDMN C[C@@H](N1CCN(c2ccc(C#N)cc2)CC1)C1(Cl)CC1 ZINC000926808882 648624866 /nfs/dbraw/zinc/62/48/66/648624866.db2.gz TYVPKEPCVMJKKB-CYBMUJFWSA-N 0 1 289.810 2.840 20 30 CFEDMN CCN(C(=O)CN[C@H](C)CC(C)(C)C#N)c1ccccc1 ZINC000926882899 648644905 /nfs/dbraw/zinc/64/49/05/648644905.db2.gz ZJPMBRLFMGIVCG-CQSZACIVSA-N 0 1 287.407 2.957 20 30 CFEDMN C[C@H](NC1([C@@H]2CCCCO2)CC1)c1cc(C#N)ccn1 ZINC000927159374 648732014 /nfs/dbraw/zinc/73/20/14/648732014.db2.gz NPDITRYIIZYODA-WFASDCNBSA-N 0 1 271.364 2.706 20 30 CFEDMN COc1ccc(/C=C\C(=O)c2ccc(O)cc2O)cc1O ZINC000034602674 648758742 /nfs/dbraw/zinc/75/87/42/648758742.db2.gz WGVFVBIJKULVHA-KXFIGUGUSA-N 0 1 286.283 2.708 20 30 CFEDMN C=CCC(CC=C)C(=O)NCc1cc(N(C)C)ccn1 ZINC000927705079 648819546 /nfs/dbraw/zinc/81/95/46/648819546.db2.gz ZLEOOFDYZNTTIK-UHFFFAOYSA-N 0 1 273.380 2.532 20 30 CFEDMN C#CCN1CCC(NC(=O)c2scc(C)c2Cl)CC1 ZINC000928653099 648939131 /nfs/dbraw/zinc/93/91/31/648939131.db2.gz ZANUJLYPDXTRCO-UHFFFAOYSA-N 0 1 296.823 2.537 20 30 CFEDMN CCN(Cc1ccc(OC)cc1)Cc1cncc(C#N)c1 ZINC000929290187 649025152 /nfs/dbraw/zinc/02/51/52/649025152.db2.gz WJCCXNRTWUKXLC-UHFFFAOYSA-N 0 1 281.359 2.984 20 30 CFEDMN CCOC(=O)/C=C\CN(Cc1ccc(C#N)cc1)C1CC1 ZINC000929367711 649039600 /nfs/dbraw/zinc/03/96/00/649039600.db2.gz QUBFHJOEIFXJSW-ARJAWSKDSA-N 0 1 284.359 2.642 20 30 CFEDMN CC(C)CN(Cc1ccccc1F)C[C@H](O)CC#N ZINC000929400483 649044515 /nfs/dbraw/zinc/04/45/15/649044515.db2.gz AWYSLZPMLCLTAS-CQSZACIVSA-N 0 1 264.344 2.558 20 30 CFEDMN C#CCN1CCC(NC(=O)Nc2ccccc2CCC)CC1 ZINC000929521840 649066096 /nfs/dbraw/zinc/06/60/96/649066096.db2.gz USVQJDIXXWIHIL-UHFFFAOYSA-N 0 1 299.418 2.858 20 30 CFEDMN N#CC[C@@H](O)CN1CCc2ccccc2[C@@H]1c1ccccc1 ZINC000929602912 649076247 /nfs/dbraw/zinc/07/62/47/649076247.db2.gz IMNKJOHVULAGGV-MJGOQNOKSA-N 0 1 292.382 2.909 20 30 CFEDMN N#CC1CCC(CN2CCO[C@H](c3ccco3)C2)CC1 ZINC000929818252 649130095 /nfs/dbraw/zinc/13/00/95/649130095.db2.gz PAQKMNMCLSBSHQ-XUJLQICISA-N 0 1 274.364 2.983 20 30 CFEDMN C[C@H]1OCCN(CCCCC2(C#N)CCC2)[C@H]1C ZINC000929842065 649136813 /nfs/dbraw/zinc/13/68/13/649136813.db2.gz BKKSYEPFAXTZFG-UONOGXRCSA-N 0 1 250.386 2.960 20 30 CFEDMN C[C@@H](C#N)CN(C)C(=O)c1cccc2[nH]c(C(F)F)nc21 ZINC000930485827 649258431 /nfs/dbraw/zinc/25/84/31/649258431.db2.gz GNDFYLZXXHYNGQ-QMMMGPOBSA-N 0 1 292.289 2.732 20 30 CFEDMN N#CC1(NC(=O)c2cccc3nc(C(F)F)[nH]c32)CCC1 ZINC000930794407 649326873 /nfs/dbraw/zinc/32/68/73/649326873.db2.gz KCIABMVBSFJUHB-UHFFFAOYSA-N 0 1 290.273 2.677 20 30 CFEDMN C#C[C@@H]1CCC[N@H+](C[C@H]2CCC[C@@H](C(F)(F)F)O2)C1 ZINC000930884293 649343196 /nfs/dbraw/zinc/34/31/96/649343196.db2.gz CCPWLUJJABURQY-UPJWGTAASA-N 0 1 275.314 2.832 20 30 CFEDMN C#C[C@@H]1CCC[N@@H+](C[C@@H](C)C(=O)c2ccc([O-])cc2)C1 ZINC000930887517 649344471 /nfs/dbraw/zinc/34/44/71/649344471.db2.gz YYOJKUBMILSACA-ZIAGYGMSSA-N 0 1 271.360 2.556 20 30 CFEDMN C#C[C@@H]1CCC[N@H+](C[C@@H](C)C(=O)c2ccc([O-])cc2)C1 ZINC000930887517 649344473 /nfs/dbraw/zinc/34/44/73/649344473.db2.gz YYOJKUBMILSACA-ZIAGYGMSSA-N 0 1 271.360 2.556 20 30 CFEDMN N#Cc1ccc(CN2CCC[C@H]2c2nnc[nH]2)c(Cl)c1 ZINC000931139844 649385595 /nfs/dbraw/zinc/38/55/95/649385595.db2.gz AEKXTTSHZPOPDB-ZDUSSCGKSA-N 0 1 287.754 2.667 20 30 CFEDMN C=CCC1(NCc2nnc(OC)s2)CCCCC1 ZINC000931191995 649392680 /nfs/dbraw/zinc/39/26/80/649392680.db2.gz YMQNEKHEMQXCKE-UHFFFAOYSA-N 0 1 267.398 2.915 20 30 CFEDMN C[C@@H]1CN(Cc2ccc(CC#N)cc2)Cc2c[nH]nc21 ZINC000931460836 649432621 /nfs/dbraw/zinc/43/26/21/649432621.db2.gz NALJKLMIVTVTQH-GFCCVEGCSA-N 0 1 266.348 2.595 20 30 CFEDMN N#Cc1cc(Cl)cc(CN2CCc3nccc(N)c3C2)c1 ZINC000931517136 649445571 /nfs/dbraw/zinc/44/55/71/649445571.db2.gz SOUKFDQTZNVGNL-UHFFFAOYSA-N 0 1 298.777 2.747 20 30 CFEDMN C[C@@H](CC#N)N(C)C(=O)c1ccc(CN2CCCCC2)o1 ZINC000931942019 649517482 /nfs/dbraw/zinc/51/74/82/649517482.db2.gz NINBDQDFSFCCHJ-ZDUSSCGKSA-N 0 1 289.379 2.640 20 30 CFEDMN CCOC(=O)[C@@H]1[C@@H]2CCN([C@@H](C)c3cccc(C#N)c3)C[C@@H]21 ZINC000932058269 649530060 /nfs/dbraw/zinc/53/00/60/649530060.db2.gz GNKCEJMSIZKBQA-NKKGCODLSA-N 0 1 298.386 2.750 20 30 CFEDMN Cn1ccc(C2CCN(Cc3ccc(C#N)s3)CC2)n1 ZINC000932141472 649549494 /nfs/dbraw/zinc/54/94/94/649549494.db2.gz CFZGRONCKCZGDH-UHFFFAOYSA-N 0 1 286.404 2.733 20 30 CFEDMN N#C[C@@H]1CCCN(CCCCCN2CCC[C@@H](C#N)C2)C1 ZINC000932153593 649552307 /nfs/dbraw/zinc/55/23/07/649552307.db2.gz ZJUMVJFMCBHUSE-IRXDYDNUSA-N 0 1 288.439 2.628 20 30 CFEDMN C#CCN(Cc1cc(=O)oc2cc(OC)ccc12)C(C)C ZINC000932390323 649591467 /nfs/dbraw/zinc/59/14/67/649591467.db2.gz JUSJMWFRXGDYJM-UHFFFAOYSA-N 0 1 285.343 2.645 20 30 CFEDMN CC[C@H]1C(=O)NCCCN1Cc1ccccc1C(C)(C)C#N ZINC000933223389 649680769 /nfs/dbraw/zinc/68/07/69/649680769.db2.gz BJLXGCRJBUXFDI-INIZCTEOSA-N 0 1 299.418 2.588 20 30 CFEDMN C#Cc1ccc(NC(=O)NC[C@H]2CCN2CC)c(Cl)c1 ZINC000933350035 649687972 /nfs/dbraw/zinc/68/79/72/649687972.db2.gz PHQMNEWEZNGFBG-GFCCVEGCSA-N 0 1 291.782 2.537 20 30 CFEDMN COC(=O)/C(C)=C\CN1CCC(c2ccc(C#N)cc2)CC1 ZINC000933613215 649706459 /nfs/dbraw/zinc/70/64/59/649706459.db2.gz SMPHMXKPUOOQTM-AUWJEWJLSA-N 0 1 298.386 2.857 20 30 CFEDMN CC(C)COCCN(C)Cc1cc(C#N)cs1 ZINC000933771799 649720443 /nfs/dbraw/zinc/72/04/43/649720443.db2.gz JFADNRNRRYHSMO-UHFFFAOYSA-N 0 1 252.383 2.724 20 30 CFEDMN O=C1C=COC2(CCN(C[C@H]3CC3(Cl)Cl)CC2)C1 ZINC000933656838 649710811 /nfs/dbraw/zinc/71/08/11/649710811.db2.gz LSUJYZDLOIAWSU-SNVBAGLBSA-N 0 1 290.190 2.518 20 30 CFEDMN CO[C@@H]1CC[C@H]1N(C)Cc1cc(Cl)ccc1OCC#N ZINC000934133448 649754401 /nfs/dbraw/zinc/75/44/01/649754401.db2.gz ZCQNDQUKAVQFEP-UKRRQHHQSA-N 0 1 294.782 2.852 20 30 CFEDMN C=CC[C@H]1CCN1[C@H](C)C(=O)N(CCC#N)c1ccccc1 ZINC000934463901 649788707 /nfs/dbraw/zinc/78/87/07/649788707.db2.gz DIUNMKSXDHAGPD-CVEARBPZSA-N 0 1 297.402 2.972 20 30 CFEDMN C=CC[C@H]1CCN1[C@H](C)C(=O)N(C)C1CCCCC1 ZINC000934472894 649791836 /nfs/dbraw/zinc/79/18/36/649791836.db2.gz RBQMFRJVUYHNGG-HIFRSBDPSA-N 0 1 264.413 2.816 20 30 CFEDMN C[C@H](NCc1cncc(C#N)c1)c1cnn(CC2CCC2)c1 ZINC000934560840 649800054 /nfs/dbraw/zinc/80/00/54/649800054.db2.gz MPYHQXKOWYJAKG-ZDUSSCGKSA-N 0 1 295.390 2.801 20 30 CFEDMN C[C@]12CSC[C@H]1CN(Cc1cc(C#N)ccc1F)C2 ZINC000934778505 649830284 /nfs/dbraw/zinc/83/02/84/649830284.db2.gz NSBXZGMGDFMZSL-HIFRSBDPSA-N 0 1 276.380 2.882 20 30 CFEDMN COc1ccc(O)c(C=NNc2nc3ccccc3[nH]2)c1 ZINC000254292148 651084092 /nfs/dbraw/zinc/08/40/92/651084092.db2.gz UMDHZYQJEOLTLP-UHFFFAOYSA-N 0 1 282.303 2.723 20 30 CFEDMN COc1cc(C=NNc2ccccc2)cc([N+](=O)[O-])c1O ZINC000254407233 651088134 /nfs/dbraw/zinc/08/81/34/651088134.db2.gz HMPKBHDZCBABNT-UHFFFAOYSA-N 0 1 287.275 2.755 20 30 CFEDMN C=C(C)CN1CCC[C@H](NC(=O)c2cccnc2C2CC2)C1 ZINC001007779575 651138849 /nfs/dbraw/zinc/13/88/49/651138849.db2.gz AUGHWICBEQAXCV-HNNXBMFYSA-N 0 1 299.418 2.729 20 30 CFEDMN C=CCN1CCC[C@@H](NC(=O)c2c(C)oc(C)c2C)C1 ZINC001007847927 651139840 /nfs/dbraw/zinc/13/98/40/651139840.db2.gz XZTRBZYVYSRKDB-CQSZACIVSA-N 0 1 276.380 2.585 20 30 CFEDMN C=C(C)CN1CCC[C@@H](NC(=O)c2nccc3occc32)C1 ZINC001008015465 651141377 /nfs/dbraw/zinc/14/13/77/651141377.db2.gz LYTDMDXNIZCWTO-CYBMUJFWSA-N 0 1 299.374 2.598 20 30 CFEDMN C=CCN1CCC[C@H](NC(=O)c2cc(F)ccc2C)C1 ZINC001008095463 651141884 /nfs/dbraw/zinc/14/18/84/651141884.db2.gz LBETZVIFFSZJBL-AWEZNQCLSA-N 0 1 276.355 2.514 20 30 CFEDMN C=CCN1CCC[C@@H](NC(=O)Cc2ccc(CC)cc2)C1 ZINC001008696168 651152988 /nfs/dbraw/zinc/15/29/88/651152988.db2.gz NKIDVVVBPNLIJR-QGZVFWFLSA-N 0 1 286.419 2.558 20 30 CFEDMN C=CCN1CCC[C@H](NC(=O)[C@@H]2C[C@H]2c2ccccc2C)C1 ZINC001008834839 651154563 /nfs/dbraw/zinc/15/45/63/651154563.db2.gz OELBRLLDRMVUJF-RYQLBKOJSA-N 0 1 298.430 2.865 20 30 CFEDMN C=CCN1CCC[C@@H](NC(=O)c2ccc3cccnc3c2)C1 ZINC001008915777 651155170 /nfs/dbraw/zinc/15/51/70/651155170.db2.gz WBORCSJGFLITEC-MRXNPFEDSA-N 0 1 295.386 2.615 20 30 CFEDMN C=CCN1CCC[C@H](NC(=O)[C@@H]2C[C@H]2c2ccccc2)C1 ZINC001009262978 651157907 /nfs/dbraw/zinc/15/79/07/651157907.db2.gz JURSFVHDKDLJHN-YESZJQIVSA-N 0 1 284.403 2.557 20 30 CFEDMN C=CCN1CCC[C@@H](NC(=O)[C@H](C)c2ccc(C)cc2)C1 ZINC001009259978 651157963 /nfs/dbraw/zinc/15/79/63/651157963.db2.gz LUFUGEVIRLYMHG-NVXWUHKLSA-N 0 1 286.419 2.865 20 30 CFEDMN C=C(C)CN1CCC[C@H](NC(=O)c2ncccc2Cl)C1 ZINC001009281658 651158056 /nfs/dbraw/zinc/15/80/56/651158056.db2.gz KUNGWFDSOQIBNU-LBPRGKRZSA-N 0 1 293.798 2.505 20 30 CFEDMN C=CCN1CCC[C@H](NC(=O)[C@@H](C)c2ccccc2C)C1 ZINC001009602047 651162566 /nfs/dbraw/zinc/16/25/66/651162566.db2.gz JWEPUFNBKKGCRQ-HOTGVXAUSA-N 0 1 286.419 2.865 20 30 CFEDMN C=CCN1CCC[C@@H](NC(=O)[C@H](C)c2ccccc2C)C1 ZINC001009602048 651162712 /nfs/dbraw/zinc/16/27/12/651162712.db2.gz JWEPUFNBKKGCRQ-HZPDHXFCSA-N 0 1 286.419 2.865 20 30 CFEDMN CCOc1ccccc1NC(=O)C(C#N)C(=O)[C@H](C)CC ZINC000113141109 651184764 /nfs/dbraw/zinc/18/47/64/651184764.db2.gz SSDBSLOFJUGDFC-NEPJUHHUSA-N 0 1 288.347 2.779 20 30 CFEDMN CCOc1ccccc1NC(=O)C(C#N)C(=O)c1ccoc1 ZINC000113141321 651184841 /nfs/dbraw/zinc/18/48/41/651184841.db2.gz ODKKZAAQJINOBX-LBPRGKRZSA-N 0 1 298.298 2.639 20 30 CFEDMN C=CCN1CC[C@H](NC(=O)c2coc3ccc(CC)cc23)C1 ZINC001014464353 651185875 /nfs/dbraw/zinc/18/58/75/651185875.db2.gz HOZJUQCOUYIURW-AWEZNQCLSA-N 0 1 298.386 2.985 20 30 CFEDMN C=CCN1CC[C@H](NC(=O)c2cc(C(F)F)ccc2F)C1 ZINC001014455217 651186201 /nfs/dbraw/zinc/18/62/01/651186201.db2.gz KDRYFAGROWMBTB-NSHDSACASA-N 0 1 298.308 2.753 20 30 CFEDMN C=C(C)CN1CC[C@@H](NC(=O)c2cccc(F)c2C)C1 ZINC001014521343 651187885 /nfs/dbraw/zinc/18/78/85/651187885.db2.gz JBXVAWMFJXQTKG-CYBMUJFWSA-N 0 1 276.355 2.514 20 30 CFEDMN C=C(C)CN1CC[C@H](NC(=O)C(C)(C)C2CCCC2)C1 ZINC001014749928 651191255 /nfs/dbraw/zinc/19/12/55/651191255.db2.gz QZLZURJBALVZDP-HNNXBMFYSA-N 0 1 278.440 2.969 20 30 CFEDMN C=CCN1CC[C@@H](NC(=O)c2ccccc2C(C)(C)C)C1 ZINC001014866166 651192727 /nfs/dbraw/zinc/19/27/27/651192727.db2.gz YFIXKQBGUUWGME-CQSZACIVSA-N 0 1 286.419 2.974 20 30 CFEDMN C=CCN1CC[C@@H](NC(=O)c2cccc3c2CCCCC3)C1 ZINC001014844845 651192756 /nfs/dbraw/zinc/19/27/56/651192756.db2.gz KVSBEVBJTCKXHQ-MRXNPFEDSA-N 0 1 298.430 2.946 20 30 CFEDMN C=CCN1CC[C@H](NC(=O)c2cccc3ccc(C)nc32)C1 ZINC001014878319 651192876 /nfs/dbraw/zinc/19/28/76/651192876.db2.gz PBWYAZDPROPEIL-HNNXBMFYSA-N 0 1 295.386 2.533 20 30 CFEDMN C=C(C)CN1CC[C@@H](NC(=O)c2ccc(CC)s2)C1 ZINC001015146801 651195948 /nfs/dbraw/zinc/19/59/48/651195948.db2.gz BUDUYDXTJOPKRC-GFCCVEGCSA-N 0 1 278.421 2.691 20 30 CFEDMN C=C(C)CN1CC[C@H](NC(=O)c2ccc(Cl)cc2F)C1 ZINC001015167215 651196530 /nfs/dbraw/zinc/19/65/30/651196530.db2.gz WXZVWUWWXRTGJB-LBPRGKRZSA-N 0 1 296.773 2.859 20 30 CFEDMN C=C(C)CN1CC[C@H](NC(=O)c2cc3cc(C)ccc3[nH]2)C1 ZINC001015471116 651201637 /nfs/dbraw/zinc/20/16/37/651201637.db2.gz JBLZFLNNZGSPHA-HNNXBMFYSA-N 0 1 297.402 2.857 20 30 CFEDMN C=CCN1CC[C@@H](NC(=O)C2(c3cccc(C)c3)CCC2)C1 ZINC001015464338 651201905 /nfs/dbraw/zinc/20/19/05/651201905.db2.gz CJCSFIALKHFLMS-QGZVFWFLSA-N 0 1 298.430 2.793 20 30 CFEDMN C=CCN1CC[C@H](NC(=O)c2cc(C)c(C)cc2Cl)C1 ZINC001015510006 651202433 /nfs/dbraw/zinc/20/24/33/651202433.db2.gz QNIPZSLYTYVYSI-ZDUSSCGKSA-N 0 1 292.810 2.947 20 30 CFEDMN C=C(C)CN1CC[C@H](NC(=O)c2coc(C(F)F)c2)C1 ZINC001015618220 651205556 /nfs/dbraw/zinc/20/55/56/651205556.db2.gz PJQXKPZQXOCPDY-NSHDSACASA-N 0 1 284.306 2.597 20 30 CFEDMN C=CCN1CC[C@@H](NC(=O)c2ccc(Cl)c(C)c2)C1 ZINC001015651563 651208041 /nfs/dbraw/zinc/20/80/41/651208041.db2.gz KDGPWZFHJSNPTB-CYBMUJFWSA-N 0 1 278.783 2.639 20 30 CFEDMN C=CCN1CC[C@H](NC(=O)c2ccc(C)cc2Cl)C1 ZINC001015737355 651210556 /nfs/dbraw/zinc/21/05/56/651210556.db2.gz HHJPWTHJLIONNH-LBPRGKRZSA-N 0 1 278.783 2.639 20 30 CFEDMN C=CCN1CC[C@H](NC(=O)C(C)(C)C2CCCCC2)C1 ZINC001015813413 651214688 /nfs/dbraw/zinc/21/46/88/651214688.db2.gz ROQPBSPPNTVDFT-HNNXBMFYSA-N 0 1 278.440 2.969 20 30 CFEDMN C=CCN1CC[C@@H](NC(=O)C(C)(C)C2CCCCC2)C1 ZINC001015813414 651214776 /nfs/dbraw/zinc/21/47/76/651214776.db2.gz ROQPBSPPNTVDFT-OAHLLOKOSA-N 0 1 278.440 2.969 20 30 CFEDMN C=CCN1CC[C@H](NC(=O)C23CCC(CC2)C3(C)C)C1 ZINC001015812191 651214786 /nfs/dbraw/zinc/21/47/86/651214786.db2.gz VVTWMZFEJAIKCQ-UUCFBXCCSA-N 0 1 276.424 2.579 20 30 CFEDMN CC#CCN1CC[C@@H](NC(=O)C[C@H]2CCCC(C)(C)C2)C1 ZINC001015995390 651220006 /nfs/dbraw/zinc/22/00/06/651220006.db2.gz TYVBFHGQYQNRCO-HZPDHXFCSA-N 0 1 290.451 2.807 20 30 CFEDMN C=CCN1CC[C@H](NC(=O)c2c(Cl)cccc2Cl)C1 ZINC001016089246 651224576 /nfs/dbraw/zinc/22/45/76/651224576.db2.gz XBCNLODIWQGIBS-JTQLQIEISA-N 0 1 299.201 2.984 20 30 CFEDMN C=CCN1CC[C@H](NC(=O)c2c(C)csc2Cl)C1 ZINC001016109154 651224915 /nfs/dbraw/zinc/22/49/15/651224915.db2.gz AEPKUZGKAZDTHG-JTQLQIEISA-N 0 1 284.812 2.700 20 30 CFEDMN C=C(C)CN1CC[C@H](NC(=O)C(C)(C)c2ccccc2)C1 ZINC001016204211 651228171 /nfs/dbraw/zinc/22/81/71/651228171.db2.gz AMAIJUZJQKJRRC-INIZCTEOSA-N 0 1 286.419 2.731 20 30 CFEDMN C=CCN1CC[C@@H](NC(=O)c2c[nH]cc2-c2ccccc2)C1 ZINC001016248328 651228507 /nfs/dbraw/zinc/22/85/07/651228507.db2.gz AUMVQMHWOZFDOF-OAHLLOKOSA-N 0 1 295.386 2.672 20 30 CFEDMN C#CCCN1CC[C@@H](NC(=O)c2cc3cc(C)ccc3o2)C1 ZINC001016338277 651230664 /nfs/dbraw/zinc/23/06/64/651230664.db2.gz XYBBWLAHORNLDB-OAHLLOKOSA-N 0 1 296.370 2.569 20 30 CFEDMN C#CCCN1C[C@H]2CC[C@@H](C1)N2C(=O)CC1CCCCC1 ZINC001017331427 651249929 /nfs/dbraw/zinc/24/99/29/651249929.db2.gz MJWDHPWRLJSZDE-CALCHBBNSA-N 0 1 288.435 2.655 20 30 CFEDMN CCC(CC)C(=O)N1CC[C@H](NCc2ccccc2C#N)C1 ZINC001018538217 651273286 /nfs/dbraw/zinc/27/32/86/651273286.db2.gz VRMHLULJTMQUIV-KRWDZBQOSA-N 0 1 299.418 2.685 20 30 CFEDMN C=C(Cl)CN[C@H]1CCN(C(=O)CC(C)(C)C2CC2)C1 ZINC001018811733 651276014 /nfs/dbraw/zinc/27/60/14/651276014.db2.gz FDCWGCRMSLJGME-ZDUSSCGKSA-N 0 1 284.831 2.756 20 30 CFEDMN C=C(Cl)CN[C@H]1CCN(C(=O)c2c(C)oc(C)c2C)C1 ZINC001019115355 651279433 /nfs/dbraw/zinc/27/94/33/651279433.db2.gz BDSCWEHAYBHYNM-ZDUSSCGKSA-N 0 1 296.798 2.761 20 30 CFEDMN C=C(Cl)CN[C@H]1CCN(C(=O)c2ccoc2C2CC2)C1 ZINC001019291212 651282949 /nfs/dbraw/zinc/28/29/49/651282949.db2.gz RHDZFRPRGQHTOS-LBPRGKRZSA-N 0 1 294.782 2.714 20 30 CFEDMN C=C(Cl)CN[C@H]1CCN(C(=O)[C@]23C[C@H]2CCCC3)C1 ZINC001019350955 651283689 /nfs/dbraw/zinc/28/36/89/651283689.db2.gz QPXAKIQQCWCOTF-VNHYZAJKSA-N 0 1 282.815 2.510 20 30 CFEDMN C=CCNC(=O)C(C#N)C(=O)C[C@@H](CC)CCCC ZINC000117532343 651286334 /nfs/dbraw/zinc/28/63/34/651286334.db2.gz WMZRYCNVFYYRID-STQMWFEESA-N 0 1 264.369 2.604 20 30 CFEDMN C=C(Cl)CN[C@H]1CCN(C(=O)C[C@@H](C)c2ccco2)C1 ZINC001019666209 651288719 /nfs/dbraw/zinc/28/87/19/651288719.db2.gz BBZIRUSFBMIIOU-YPMHNXCESA-N 0 1 296.798 2.716 20 30 CFEDMN C=C(Cl)CN[C@H]1CCN(C(=O)c2ccc(CC)cc2)C1 ZINC001019728553 651290177 /nfs/dbraw/zinc/29/01/77/651290177.db2.gz OUMMIJHKVRVCKR-HNNXBMFYSA-N 0 1 292.810 2.806 20 30 CFEDMN C=C(Cl)CN[C@H]1CCN(C(=O)C2CCC=CCC2)C1 ZINC001019787521 651291335 /nfs/dbraw/zinc/29/13/35/651291335.db2.gz QCJSPJAVVQXZDP-AWEZNQCLSA-N 0 1 282.815 2.676 20 30 CFEDMN CC(C)c1ccc(C#N)c(N2C[C@H](C)N(C)C[C@@H]2C)n1 ZINC001164631760 719161029 /nfs/dbraw/zinc/16/10/29/719161029.db2.gz BWNXXXLYBYFIMA-STQMWFEESA-N 0 1 272.396 2.605 20 30 CFEDMN C[C@@H]1CN(c2nc(Cl)c(Cl)cc2C#N)[C@@H](C)CN1C ZINC001164642438 719199710 /nfs/dbraw/zinc/19/97/10/719199710.db2.gz YOBMKNOCSAACOL-BDAKNGLRSA-N 0 1 299.205 2.789 20 30 CFEDMN C=CCN1CCN(c2cc(Cl)nc3[nH]cc(C)c32)CC1 ZINC001165032319 721870148 /nfs/dbraw/zinc/87/01/48/721870148.db2.gz NTTDDCRVRCGSCD-UHFFFAOYSA-N 0 1 290.798 2.833 20 30 CFEDMN C=C(C)CN1CC[C@@H]1CN(C)C(=O)c1cc2ccccc2[nH]1 ZINC001085961375 782221503 /nfs/dbraw/zinc/22/15/03/782221503.db2.gz DVRMIWSYGVJCID-OAHLLOKOSA-N 0 1 297.402 2.890 20 30 CFEDMN C=CC(C)(C)C(=O)N1CCC[C@H](N(C)C/C=C/Cl)C1 ZINC001267109993 770910429 /nfs/dbraw/zinc/91/04/29/770910429.db2.gz ZYXPYDZVBMUIHT-XOVSCCBYSA-N 0 1 284.831 2.874 20 30 CFEDMN C=CCN1CC[C@H](N(C)C(=O)c2ccc3c(c2)CCC3)C1 ZINC001033656829 780741979 /nfs/dbraw/zinc/74/19/79/780741979.db2.gz NUFUAAIZIMBXRD-KRWDZBQOSA-N 0 1 284.403 2.508 20 30 CFEDMN CC#CCN1CC[C@H](N(C)C(=O)C(C)(C)c2ccccc2)C1 ZINC001033647738 780743250 /nfs/dbraw/zinc/74/32/50/780743250.db2.gz JCBKXRPEXBDXMN-KRWDZBQOSA-N 0 1 298.430 2.520 20 30 CFEDMN C=C(C)CN1CC[C@H](N(CC)C(=O)c2csc(C)n2)C1 ZINC001033935419 780832886 /nfs/dbraw/zinc/83/28/86/780832886.db2.gz FVEGMXLXRSLPSP-ZDUSSCGKSA-N 0 1 293.436 2.564 20 30 CFEDMN C#CCN1CC[C@@H](N(CC)C(=O)[C@@H]2CCCC(C)(C)C2)C1 ZINC001034050640 780868290 /nfs/dbraw/zinc/86/82/90/780868290.db2.gz OEFAAOXXHPCVSZ-HZPDHXFCSA-N 0 1 290.451 2.759 20 30 CFEDMN C=CCN1CCCC[C@H](NC(=O)C(F)=C2CCCC2)C1 ZINC001034162501 780911787 /nfs/dbraw/zinc/91/17/87/780911787.db2.gz STJLPPGVISBCRQ-AWEZNQCLSA-N 0 1 280.387 2.941 20 30 CFEDMN C=CC1CCN(Cc2ccc(O)c(OC)c2[N+](=O)[O-])CC1 ZINC001119937244 781877021 /nfs/dbraw/zinc/87/70/21/781877021.db2.gz RMZMNRLRYOXXLL-UHFFFAOYSA-N 0 1 292.335 2.707 20 30 CFEDMN C=CCCC(=O)N[C@@H]1CCN(Cc2csc(C)c2)C1 ZINC001266307390 769946511 /nfs/dbraw/zinc/94/65/11/769946511.db2.gz CDKNWVYBKBASKI-CQSZACIVSA-N 0 1 278.421 2.713 20 30 CFEDMN C=CC1(CC(=O)N[C@@H]2CCN(CC#CC)C2)CCCCC1 ZINC001266347898 769997814 /nfs/dbraw/zinc/99/78/14/769997814.db2.gz UIKZIXFENDPKIG-MRXNPFEDSA-N 0 1 288.435 2.727 20 30 CFEDMN C=CCCCCN1CCC(C#N)(C(=O)OCC)CC1 ZINC001209207060 770013838 /nfs/dbraw/zinc/01/38/38/770013838.db2.gz JUADTOBDMSWIRL-UHFFFAOYSA-N 0 1 264.369 2.512 20 30 CFEDMN CC#CCN1CC[C@H](NC(=O)[C@H](CCCC)C(C)C)C1 ZINC001266361579 770024406 /nfs/dbraw/zinc/02/44/06/770024406.db2.gz OUIYDVMQMCOINQ-JKSUJKDBSA-N 0 1 278.440 2.663 20 30 CFEDMN C#CCCCN1CCO[C@@](C)(c2ccc(C)cc2)C1 ZINC001209265895 770027424 /nfs/dbraw/zinc/02/74/24/770027424.db2.gz CUOPNWULPRGAFT-QGZVFWFLSA-N 0 1 257.377 2.956 20 30 CFEDMN CC#CCN1CCC[C@@H]1CNC(=O)[C@@H](CC)CCCC ZINC001266446293 770163854 /nfs/dbraw/zinc/16/38/54/770163854.db2.gz COHKGYCPKOQIJW-JKSUJKDBSA-N 0 1 278.440 2.807 20 30 CFEDMN C=CCCC(=O)NC[C@@H]1CCCN1Cc1ccccc1F ZINC001266450851 770166973 /nfs/dbraw/zinc/16/69/73/770166973.db2.gz WDCZRWYPSFHLQG-HNNXBMFYSA-N 0 1 290.382 2.873 20 30 CFEDMN N#Cc1ccc(CN2CCC3(C[C@H](F)CO3)CC2)c(F)c1 ZINC001140140279 770199929 /nfs/dbraw/zinc/19/99/29/770199929.db2.gz OTBQEGNDFKCSSL-AWEZNQCLSA-N 0 1 292.329 2.790 20 30 CFEDMN CCCCCCCCN1CCNC(=O)[C@H]1C(C)C ZINC001167337351 770312910 /nfs/dbraw/zinc/31/29/10/770312910.db2.gz OAFCCIKJERBJAL-CQSZACIVSA-N 0 1 254.418 2.803 20 30 CFEDMN C[C@@H]1CC(=O)C=C(Nc2ccnn2-c2ccncc2)C1 ZINC001210771617 770363528 /nfs/dbraw/zinc/36/35/28/770363528.db2.gz PBGASLQRKDCDMA-NSHDSACASA-N 0 1 268.320 2.562 20 30 CFEDMN CN1CCN(c2ccc(Nc3nccs3)cc2C#N)CC1 ZINC001210992032 770412384 /nfs/dbraw/zinc/41/23/84/770412384.db2.gz OUPNGOALEZMPNO-UHFFFAOYSA-N 0 1 299.403 2.510 20 30 CFEDMN C=CCCC[C@@H](C)Nc1nc(Cl)nc2[nH]cnc21 ZINC000398124219 770456917 /nfs/dbraw/zinc/45/69/17/770456917.db2.gz HXICTZMJNSMOBF-MRVPVSSYSA-N 0 1 265.748 2.585 20 30 CFEDMN Cn1cncc1Nc1cc(Br)cc(C#N)c1 ZINC001211250273 770465924 /nfs/dbraw/zinc/46/59/24/770465924.db2.gz MCWUQFJSHACXLU-UHFFFAOYSA-N 0 1 277.125 2.798 20 30 CFEDMN C#C[C@H]1CCCN(C(=O)c2ccc(O)c(Cl)c2)C1 ZINC000692300597 770480483 /nfs/dbraw/zinc/48/04/83/770480483.db2.gz LCWCSWSSUKNAGA-JTQLQIEISA-N 0 1 263.724 2.531 20 30 CFEDMN C=CCCCC(=O)N[C@H]1C[C@@H](NCc2nc(C)cs2)C1 ZINC001266708609 770544696 /nfs/dbraw/zinc/54/46/96/770544696.db2.gz WFEPFZVIKKYZMV-BETUJISGSA-N 0 1 293.436 2.545 20 30 CFEDMN CC#CCN1CCCC[C@@H]1CNC(=O)C[C@H]1CC=CCC1 ZINC001266849896 770672671 /nfs/dbraw/zinc/67/26/71/770672671.db2.gz PGFYOQUIJRKDIX-DLBZAZTESA-N 0 1 288.435 2.727 20 30 CFEDMN C#CCCCC(=O)N1CCCC[C@H]1[C@H]1CCCN1CCF ZINC001266886626 770714299 /nfs/dbraw/zinc/71/42/99/770714299.db2.gz ONCBVHFVNVJUIL-CVEARBPZSA-N 0 1 294.414 2.605 20 30 CFEDMN CC(C)c1csc(C(C#N)C(=O)C=Cc2ccncn2)n1 ZINC000588460181 770753819 /nfs/dbraw/zinc/75/38/19/770753819.db2.gz UEOOQZTZNBFXPS-MVZIDQBPSA-N 0 1 298.371 2.946 20 30 CFEDMN CC(C)c1csc(C(C#N)C(=O)C=Cc2ccncn2)n1 ZINC000588460182 770753845 /nfs/dbraw/zinc/75/38/45/770753845.db2.gz UEOOQZTZNBFXPS-VSQXVHSFSA-N 0 1 298.371 2.946 20 30 CFEDMN C[C@@]1(O)CCCN(Cc2cc(C#N)ccc2Cl)CC1 ZINC001140599743 773196133 /nfs/dbraw/zinc/19/61/33/773196133.db2.gz OMYKDTZHYRGCEQ-OAHLLOKOSA-N 0 1 278.783 2.949 20 30 CFEDMN CC#CC[N@H+](CC)CCNC(=O)C[C@H](CC)C(C)C ZINC001267255573 775108203 /nfs/dbraw/zinc/10/82/03/775108203.db2.gz LOXWPTJLOIIUKP-HNNXBMFYSA-N 0 1 266.429 2.520 20 30 CFEDMN CC#CCN(CC)CCNC(=O)C[C@H](CC)C(C)C ZINC001267255573 775108208 /nfs/dbraw/zinc/10/82/08/775108208.db2.gz LOXWPTJLOIIUKP-HNNXBMFYSA-N 0 1 266.429 2.520 20 30 CFEDMN C#CCCCCC(=O)NC[C@H]1CCCN1C[C@@H](F)CC ZINC001267263093 775118884 /nfs/dbraw/zinc/11/88/84/775118884.db2.gz ILURRCLMXRMHBS-LSDHHAIUSA-N 0 1 282.403 2.509 20 30 CFEDMN CC#CCN1CCC[C@H]1CNC(=O)[C@H](C)C(CC)CC ZINC001267269578 775131221 /nfs/dbraw/zinc/13/12/21/775131221.db2.gz BDNXHVRBMRNYBH-ZBFHGGJFSA-N 0 1 278.440 2.663 20 30 CFEDMN CC#CCN1CCC[C@@H]1CNC(=O)C1(CCCC)CC1 ZINC001267273247 775136253 /nfs/dbraw/zinc/13/62/53/775136253.db2.gz CXTRAGWBPCNJCK-OAHLLOKOSA-N 0 1 276.424 2.561 20 30 CFEDMN C#CCN1CCC[C@H]1CNC(=O)CCC1CCCCCC1 ZINC001267277250 775142719 /nfs/dbraw/zinc/14/27/19/775142719.db2.gz VESVLBBOIJFDFT-KRWDZBQOSA-N 0 1 290.451 2.951 20 30 CFEDMN C#CCN1CCC[C@H]1CNC(=O)CCCCCC(C)C ZINC001267279223 775145581 /nfs/dbraw/zinc/14/55/81/775145581.db2.gz ZZYMKCKOMFXQOT-INIZCTEOSA-N 0 1 278.440 2.807 20 30 CFEDMN C=C[C@@H](C(=O)NC[C@H]1CCCN1CC#CC)c1ccccc1 ZINC001267283381 775152677 /nfs/dbraw/zinc/15/26/77/775152677.db2.gz WVYDNNFVWGMCQA-QZTJIDSGSA-N 0 1 296.414 2.560 20 30 CFEDMN C=CCCC1(C(=O)NCC2CCN(CCF)CC2)CC1 ZINC001224394159 775172952 /nfs/dbraw/zinc/17/29/52/775172952.db2.gz RQQFWNQAVRGODB-UHFFFAOYSA-N 0 1 282.403 2.531 20 30 CFEDMN C=C1O[C@@H](CC)C(=O)C1OCCCCCCOC(C)=O ZINC001224575133 775223169 /nfs/dbraw/zinc/22/31/69/775223169.db2.gz OOLRJEPAAJKZFG-ZDUSSCGKSA-N 0 1 284.352 2.736 20 30 CFEDMN C=C(C)CCc1ccccc1-n1c(C)ncc(CN)c1=N ZINC001167674459 775235604 /nfs/dbraw/zinc/23/56/04/775235604.db2.gz QFIAXGTUEXUEEC-UHFFFAOYSA-N 0 1 282.391 2.628 20 30 CFEDMN COc1cccc([C@@H](C)NCc2cncc(C#N)c2)c1 ZINC000721571792 775255293 /nfs/dbraw/zinc/25/52/93/775255293.db2.gz JLTXDKKONLICFN-GFCCVEGCSA-N 0 1 267.332 2.813 20 30 CFEDMN CC(=Cc1cccnc1Cl)c1nc(C)c(C#N)c(=O)[nH]1 ZINC000588611112 775279111 /nfs/dbraw/zinc/27/91/11/775279111.db2.gz VHXJPPWHIMUMKB-SOFGYWHQSA-N 0 1 286.722 2.559 20 30 CFEDMN C=C(Cl)CNCCN(C)C(=O)c1sc(C)cc1C ZINC001267379175 775287925 /nfs/dbraw/zinc/28/79/25/775287925.db2.gz YSBYBRXTSUOQAN-UHFFFAOYSA-N 0 1 286.828 2.779 20 30 CFEDMN CC#CC[NH+]1[C@H]2CC[C@H]1CN(C(=O)CC(C)(C)CC)C2 ZINC001267406250 775316269 /nfs/dbraw/zinc/31/62/69/775316269.db2.gz YBVFXWXJXICNRE-GJZGRUSLSA-N 0 1 276.424 2.511 20 30 CFEDMN C=C(Cl)CNCCN(C)C(=O)[C@@H]1C[C@H]1C1CCCC1 ZINC001267448866 775330425 /nfs/dbraw/zinc/33/04/25/775330425.db2.gz PXCCCBFPULILCH-UONOGXRCSA-N 0 1 284.831 2.613 20 30 CFEDMN Cc1nc2ccc(NCCc3ccc(C#N)cc3)nc2[nH]1 ZINC001167679608 775344313 /nfs/dbraw/zinc/34/43/13/775344313.db2.gz WKWDWOCJODZMOG-UHFFFAOYSA-N 0 1 277.331 2.793 20 30 CFEDMN N#Cc1ccccc1O[C@H]1CC[C@@H](N2CCOCC2)CC1 ZINC001225196424 775363570 /nfs/dbraw/zinc/36/35/70/775363570.db2.gz CKYQVAMIHDMSJK-IYBDPMFKSA-N 0 1 286.375 2.580 20 30 CFEDMN C=C(Cl)CN(CCCNC(=O)C#CC(C)C)C(C)C ZINC001267499608 775394776 /nfs/dbraw/zinc/39/47/76/775394776.db2.gz CTBPMQYFJJXVAP-UHFFFAOYSA-N 0 1 284.831 2.615 20 30 CFEDMN N#Cc1ccc(CN2CC[C@@H]3OCC[C@H]3C2)c(Cl)c1 ZINC000724830212 775405418 /nfs/dbraw/zinc/40/54/18/775405418.db2.gz KDGGHICUKJFTST-ZFWWWQNUSA-N 0 1 276.767 2.822 20 30 CFEDMN CC#CCN[C@@H](CNC(=O)CCC(F)F)c1ccccc1 ZINC001267519763 775415160 /nfs/dbraw/zinc/41/51/60/775415160.db2.gz HBUKMYLKVDYKGN-AWEZNQCLSA-N 0 1 294.345 2.502 20 30 CFEDMN CC#CCN[C@H](CNC(=O)C[C@@H](C)C1CC1)c1ccccc1 ZINC001267526966 775424220 /nfs/dbraw/zinc/42/42/20/775424220.db2.gz VUJHXOGTSXWYTD-CRAIPNDOSA-N 0 1 298.430 2.893 20 30 CFEDMN C[C@H](Nc1ccnc(CC#N)c1)c1cccc(C#N)c1 ZINC001167710561 775618584 /nfs/dbraw/zinc/61/85/84/775618584.db2.gz OGYOBPKUHKFHEM-LBPRGKRZSA-N 0 1 262.316 2.614 20 30 CFEDMN C=CCN1CCC[C@@H](NC(=O)CC2(c3ccccc3)CC2)C1 ZINC001267614858 775678272 /nfs/dbraw/zinc/67/82/72/775678272.db2.gz CXSYICWHYGSTNG-QGZVFWFLSA-N 0 1 298.430 2.875 20 30 CFEDMN CC#CCN1CCC[C@H](NC(=O)CCc2ccccc2C)C1 ZINC001267632578 775719058 /nfs/dbraw/zinc/71/90/58/775719058.db2.gz ZLICOSQZQUWRQC-SFHVURJKSA-N 0 1 298.430 2.532 20 30 CFEDMN C=CCN1CCC[C@H](NC(=O)C(C)(CC)CC)C1 ZINC001267634544 775720872 /nfs/dbraw/zinc/72/08/72/775720872.db2.gz DJXPHKYAUXHUOM-ZDUSSCGKSA-N 0 1 252.402 2.579 20 30 CFEDMN C=CCCCN1CC(NC(=O)CCC2CCCC2)C1 ZINC001267635199 775722489 /nfs/dbraw/zinc/72/24/89/775722489.db2.gz GGUUYIAGDVLXIS-UHFFFAOYSA-N 0 1 264.413 2.723 20 30 CFEDMN N#C[C@@H]1CN(Cc2ccc(-c3ccccn3)s2)CCC1=O ZINC001141002116 775743940 /nfs/dbraw/zinc/74/39/40/775743940.db2.gz MDACZTSVRYDQNT-GFCCVEGCSA-N 0 1 297.383 2.725 20 30 CFEDMN C=CCC[C@@H](C)N1CC(NC(=O)[C@@](C)(C=C)CC)C1 ZINC001267659588 775758272 /nfs/dbraw/zinc/75/82/72/775758272.db2.gz XVZCEIYMLBWBCP-CJNGLKHVSA-N 0 1 264.413 2.744 20 30 CFEDMN C=C(C)CCN1CC(NC(=O)CCc2ccc(C)s2)C1 ZINC001267672840 775768458 /nfs/dbraw/zinc/76/84/58/775768458.db2.gz NRXIFVUKZREJJT-UHFFFAOYSA-N 0 1 292.448 2.756 20 30 CFEDMN C=C(C)CN1CC(CNC(=O)CC2(c3ccccc3)CC2)C1 ZINC001267682617 775775440 /nfs/dbraw/zinc/77/54/40/775775440.db2.gz LHULTSHJJLLMQH-UHFFFAOYSA-N 0 1 298.430 2.732 20 30 CFEDMN N#Cc1cccc(O)c1O[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC001226518578 775856325 /nfs/dbraw/zinc/85/63/25/775856325.db2.gz SLJOWWMVZWOVOK-MRXNPFEDSA-N 0 1 294.354 2.917 20 30 CFEDMN C#CCN1CC[C@@H](NC(=O)CCc2ccc(C(C)C)cc2)C1 ZINC001267744884 775867252 /nfs/dbraw/zinc/86/72/52/775867252.db2.gz OPRXXTFQHMMVAU-GOSISDBHSA-N 0 1 298.430 2.566 20 30 CFEDMN C=CCN1CC[C@@H](NC(=O)[C@H](CCC)CC(C)C)C1 ZINC001267753901 775882158 /nfs/dbraw/zinc/88/21/58/775882158.db2.gz QZLULWUBWJPHAW-HUUCEWRRSA-N 0 1 266.429 2.825 20 30 CFEDMN C#CCN1CC[C@@H](NC(=O)CCCC2CCCCC2)C1 ZINC001267754548 775882334 /nfs/dbraw/zinc/88/23/34/775882334.db2.gz LPMPNDNZQNIREU-MRXNPFEDSA-N 0 1 276.424 2.561 20 30 CFEDMN C#CCN1CC[C@H](N(C)C(=O)CC[C@H](C)c2ccccc2)C1 ZINC001267774078 775913383 /nfs/dbraw/zinc/91/33/83/775913383.db2.gz TYFQVFIEABXACQ-WMZOPIPTSA-N 0 1 298.430 2.736 20 30 CFEDMN C#CCN1CC[C@H]2CCN(C(=O)C(CC)(CC)CC)C[C@H]21 ZINC001042289830 775928690 /nfs/dbraw/zinc/92/86/90/775928690.db2.gz LZPPHINKKLVRQY-JKSUJKDBSA-N 0 1 290.451 2.759 20 30 CFEDMN C=CC[N@@H+]1CC[C@@H](N(CC)C(=O)[C@@H](CC)CC(F)F)C1 ZINC001267785560 775930101 /nfs/dbraw/zinc/93/01/01/775930101.db2.gz GDXZKNPRWPILGW-QWHCGFSZSA-N 0 1 288.382 2.777 20 30 CFEDMN C=CCN1CC[C@@H](N(CC)C(=O)[C@@H](CC)CC(F)F)C1 ZINC001267785560 775930107 /nfs/dbraw/zinc/93/01/07/775930107.db2.gz GDXZKNPRWPILGW-QWHCGFSZSA-N 0 1 288.382 2.777 20 30 CFEDMN C#C[C@@H](CCCC)Oc1nc[nH]c(=O)c1Br ZINC001226722133 775937871 /nfs/dbraw/zinc/93/78/71/775937871.db2.gz PBZCVSHTYLFNET-QMMMGPOBSA-N 0 1 285.141 2.516 20 30 CFEDMN C=C1O[C@@H](C)C(=O)C1Oc1ccc([N+](=O)[O-])cc1Cl ZINC001226762574 775952830 /nfs/dbraw/zinc/95/28/30/775952830.db2.gz VUZBHFUTMMWNQT-LURJTMIESA-N 0 1 283.667 2.846 20 30 CFEDMN C[C@H](Oc1[nH]c(=O)nc2[nH]ccc21)c1ccccc1C#N ZINC001227275227 776167988 /nfs/dbraw/zinc/16/79/88/776167988.db2.gz WKKDYQIUIQTABK-VIFPVBQESA-N 0 1 280.287 2.675 20 30 CFEDMN C#C[C@H](Oc1ncnc2nc[nH]c21)[C@H](CC)CCCC ZINC001227532604 776223096 /nfs/dbraw/zinc/22/30/96/776223096.db2.gz ZESIQMIUFKSDFI-NEPJUHHUSA-N 0 1 272.352 2.950 20 30 CFEDMN C#C[C@@H](CCCCC)Oc1nc(=O)[nH]c2c1CO[C@H]2C ZINC001227709836 776265364 /nfs/dbraw/zinc/26/53/64/776265364.db2.gz HDCSOEYDCZWEHK-QWRGUYRKSA-N 0 1 276.336 2.734 20 30 CFEDMN N#Cc1c(Cl)cccc1O[C@H]1CN2CCC1CC2 ZINC001227790621 776291420 /nfs/dbraw/zinc/29/14/20/776291420.db2.gz YLFGBWBXMMWGPW-AWEZNQCLSA-N 0 1 262.740 2.685 20 30 CFEDMN N#CC[C@H](Oc1[nH]c(=O)nc2cc[nH]c21)c1ccccc1 ZINC001227810914 776297272 /nfs/dbraw/zinc/29/72/72/776297272.db2.gz YUALOTXBLXYHSZ-LBPRGKRZSA-N 0 1 280.287 2.697 20 30 CFEDMN C=CCc1ccc(O[C@H]2CC[N@H+](CC)C2)c(OC)c1 ZINC001227926915 776332100 /nfs/dbraw/zinc/33/21/00/776332100.db2.gz LWQLTFBJEZETIS-AWEZNQCLSA-N 0 1 261.365 2.897 20 30 CFEDMN C#CC[C@@H](C)Oc1[nH]c(=O)nc2cc(Cl)ccc21 ZINC001227989633 776351885 /nfs/dbraw/zinc/35/18/85/776351885.db2.gz REUGANDQPJNINY-MRVPVSSYSA-N 0 1 262.696 2.779 20 30 CFEDMN C=C[C@H](C)Oc1[nH]c(=O)nc2cc(Cl)ccc21 ZINC001227990310 776352701 /nfs/dbraw/zinc/35/27/01/776352701.db2.gz JOSTZPLXGBZBHC-ZETCQYMHSA-N 0 1 250.685 2.942 20 30 CFEDMN C#C[C@@H](CC)Oc1[nH]c(=O)nc2cc(Cl)ccc21 ZINC001227989457 776352755 /nfs/dbraw/zinc/35/27/55/776352755.db2.gz LTQJTZABUPPZJU-VIFPVBQESA-N 0 1 262.696 2.779 20 30 CFEDMN CC#CCN1CCC(NC(=O)[C@@H](C)C(CC)CC)CC1 ZINC001228115176 776399605 /nfs/dbraw/zinc/39/96/05/776399605.db2.gz ZXZNTYIZYZVFNB-AWEZNQCLSA-N 0 1 278.440 2.663 20 30 CFEDMN C=C(C)CN1CCC[C@H]1CNC(=O)c1sccc1F ZINC001027862470 776482234 /nfs/dbraw/zinc/48/22/34/776482234.db2.gz QBUSRZGRAFMCLL-NSHDSACASA-N 0 1 282.384 2.658 20 30 CFEDMN C#CCC[N@@H+]1CCC[C@@H]1CNC(=O)c1ccc2occc2c1 ZINC001027899138 776499933 /nfs/dbraw/zinc/49/99/33/776499933.db2.gz YCJHSDFJKQTEHR-MRXNPFEDSA-N 0 1 296.370 2.650 20 30 CFEDMN C=C(Cl)CNC[C@@H](C)N(C)C(=O)CCCCC ZINC001268051462 776502359 /nfs/dbraw/zinc/50/23/59/776502359.db2.gz XRMAUMOXFBDDQM-GFCCVEGCSA-N 0 1 260.809 2.756 20 30 CFEDMN N#C[C@H](Oc1[nH]c(=O)ncc1Cl)c1ccccc1F ZINC001228482073 776503061 /nfs/dbraw/zinc/50/30/61/776503061.db2.gz JHRHYDICCGONSS-JTQLQIEISA-N 0 1 279.658 2.618 20 30 CFEDMN C#C[C@@H](CCCCC)Oc1nc(Cl)nc2nc[nH]c21 ZINC001228510072 776509491 /nfs/dbraw/zinc/50/94/91/776509491.db2.gz UCVKSHBYBIJQKL-VIFPVBQESA-N 0 1 278.743 2.967 20 30 CFEDMN C#CCN1CCC[C@@H]1CNC(=O)c1ccc(C2CCC2)cc1 ZINC001027918263 776510225 /nfs/dbraw/zinc/51/02/25/776510225.db2.gz LTHRKHZRWZXOFT-GOSISDBHSA-N 0 1 296.414 2.782 20 30 CFEDMN C#CCN1CCC[C@@H]1CNC(=O)c1ccccc1C(C)C ZINC001027917882 776510312 /nfs/dbraw/zinc/51/03/12/776510312.db2.gz HFPNXFCZFKIOGV-OAHLLOKOSA-N 0 1 284.403 2.637 20 30 CFEDMN C=C(Cl)CNC[C@@H](C)N(C)C(=O)/C(C)=C\CC ZINC001268054289 776514250 /nfs/dbraw/zinc/51/42/50/776514250.db2.gz NQQIUFFHNXDBEX-MQGYJPLLSA-N 0 1 258.793 2.532 20 30 CFEDMN C#CCN1CCC[C@H]1CNC(=O)c1coc2c1cccc2C ZINC001027931925 776518212 /nfs/dbraw/zinc/51/82/12/776518212.db2.gz NJJJBQHSGBLKRI-AWEZNQCLSA-N 0 1 296.370 2.569 20 30 CFEDMN C=CCN1CCC[C@H]1CNC(=O)c1c(C)oc(C)c1C ZINC001028012004 776556626 /nfs/dbraw/zinc/55/66/26/776556626.db2.gz DSOHWYLEKJKGOL-AWEZNQCLSA-N 0 1 276.380 2.585 20 30 CFEDMN C=C[C@H](C#CC(C)(C)C)Oc1ccc2[nH]nnc2c1 ZINC001228662031 776557573 /nfs/dbraw/zinc/55/75/73/776557573.db2.gz AUQIKZKAGUZHAI-LLVKDONJSA-N 0 1 255.321 2.941 20 30 CFEDMN C[C@@H](C#C[Si](C)(C)C)Oc1ccc2[nH]nnc2c1 ZINC001228662848 776557789 /nfs/dbraw/zinc/55/77/89/776557789.db2.gz MSTMAKUOMZIELW-JTQLQIEISA-N 0 1 259.385 2.606 20 30 CFEDMN C=C(C)CN1CCC[C@H]1CNC(=O)c1cc(OC)cs1 ZINC001028066460 776581554 /nfs/dbraw/zinc/58/15/54/776581554.db2.gz YMXOPPSKDZADHZ-LBPRGKRZSA-N 0 1 294.420 2.527 20 30 CFEDMN SCc1ccccc1NCCN1CCSCC1 ZINC001167839434 776590671 /nfs/dbraw/zinc/59/06/71/776590671.db2.gz NZEVFZGBBUMPLB-UHFFFAOYSA-N 0 1 268.451 2.577 20 30 CFEDMN C=C(C)CN1CCC[C@@H]1CNC(=O)c1occc1Cl ZINC001028115477 776635648 /nfs/dbraw/zinc/63/56/48/776635648.db2.gz NHZONXQRHIZEEZ-LLVKDONJSA-N 0 1 282.771 2.703 20 30 CFEDMN C[C@H](CS)Oc1[nH]c(=O)nc2ccc(Cl)cc21 ZINC001228911695 776655824 /nfs/dbraw/zinc/65/58/24/776655824.db2.gz HBUFZCPDXBEQJH-ZCFIWIBFSA-N 0 1 270.741 2.686 20 30 CFEDMN C=CCN1CCC[C@@H]1CNC(=O)c1ccc(C)cc1F ZINC001028158177 776669168 /nfs/dbraw/zinc/66/91/68/776669168.db2.gz YJNQANNAVBTGMZ-CYBMUJFWSA-N 0 1 276.355 2.514 20 30 CFEDMN CC#CCN1CCC[C@@H]1CNC(=O)c1c(C)cccc1C ZINC001028157538 776669765 /nfs/dbraw/zinc/66/97/65/776669765.db2.gz LSUYKPSJDPOELN-MRXNPFEDSA-N 0 1 284.403 2.521 20 30 CFEDMN N#C[C@@H]1CN(Cc2c(Cl)cccc2Cl)CCC1=O ZINC001203422718 776677376 /nfs/dbraw/zinc/67/73/76/776677376.db2.gz CYAGMRXBNRYTDH-SECBINFHSA-N 0 1 283.158 2.908 20 30 CFEDMN C=CCN1CC[C@H]2CC[C@@H](C1)N2C(=O)C1(CCC)CC1 ZINC001277352106 776701274 /nfs/dbraw/zinc/70/12/74/776701274.db2.gz QVSUZBAPHJHCAV-CABCVRRESA-N 0 1 276.424 2.818 20 30 CFEDMN C=C[C@H](CCCCC)Oc1[nH]c(=O)[nH]c(=O)c1F ZINC001229119609 776725378 /nfs/dbraw/zinc/72/53/78/776725378.db2.gz LABQYMJBTFJPFX-MRVPVSSYSA-N 0 1 256.277 2.541 20 30 CFEDMN C=CCCC(=O)N1CC[C@@H]2[C@H](CCN2CC(=C)Cl)C1 ZINC001268262847 776728798 /nfs/dbraw/zinc/72/87/98/776728798.db2.gz MVYNMLZMMREMPW-ZIAGYGMSSA-N 0 1 282.815 2.628 20 30 CFEDMN CC#C[C@@H](CC)Oc1[nH]c(=O)nc2cc(OC)ccc21 ZINC001229140271 776732418 /nfs/dbraw/zinc/73/24/18/776732418.db2.gz ZFBGSCQFZIEBRR-SNVBAGLBSA-N 0 1 272.304 2.525 20 30 CFEDMN C=C(C)CCN1CC[C@@H]1CNC(=O)c1ccc(C(F)F)o1 ZINC001038967955 776750306 /nfs/dbraw/zinc/75/03/06/776750306.db2.gz INHRGTSVYAOXRJ-LLVKDONJSA-N 0 1 298.333 2.988 20 30 CFEDMN C=CCN1CCC[C@@H]1CNC(=O)c1ccccc1Cl ZINC001028278462 776793231 /nfs/dbraw/zinc/79/32/31/776793231.db2.gz OEDNGRORBXKXJC-GFCCVEGCSA-N 0 1 278.783 2.720 20 30 CFEDMN C=CC[C@@H](CCCC)Oc1nc(C)[nH]c(=O)c1[N+](=O)[O-] ZINC001229378793 776795004 /nfs/dbraw/zinc/79/50/04/776795004.db2.gz NHJODCOEKGKRCG-JTQLQIEISA-N 0 1 281.312 2.913 20 30 CFEDMN C#C[C@H](Oc1[nH]c(=O)nc2c(C)cccc21)C(C)C ZINC001229407178 776802566 /nfs/dbraw/zinc/80/25/66/776802566.db2.gz HOWOOOUZPUWFBI-LBPRGKRZSA-N 0 1 256.305 2.680 20 30 CFEDMN C=C(Cl)CNCCN(CC)C(=O)[C@H]1CC=CCC1 ZINC001268434243 776804532 /nfs/dbraw/zinc/80/45/32/776804532.db2.gz AGXIXFNGOSWXON-ZDUSSCGKSA-N 0 1 270.804 2.533 20 30 CFEDMN CCN(CCNCc1ccccc1C#N)C(=O)C1CC(C)C1 ZINC001268442807 776810218 /nfs/dbraw/zinc/81/02/18/776810218.db2.gz DDOOWBNBHIKTRK-UHFFFAOYSA-N 0 1 299.418 2.542 20 30 CFEDMN Cc1nc2[nH]cnc2c(O[C@H](C)c2ccccc2C#N)n1 ZINC001229438433 776811871 /nfs/dbraw/zinc/81/18/71/776811871.db2.gz LEORXOKWNWAQOE-SECBINFHSA-N 0 1 279.303 2.673 20 30 CFEDMN C=C(C)C[C@@H](Oc1nc(C)nc2[nH]cnc21)C(=C)C ZINC001229438209 776811949 /nfs/dbraw/zinc/81/19/49/776811949.db2.gz DPQSBZHKDHSJOE-LLVKDONJSA-N 0 1 258.325 2.951 20 30 CFEDMN C=CC(C)(C)CC(=O)N(CC)CCNCc1cncs1 ZINC001268451967 776828457 /nfs/dbraw/zinc/82/84/57/776828457.db2.gz VYGNAONKHMIHPK-UHFFFAOYSA-N 0 1 295.452 2.684 20 30 CFEDMN C=CCC[C@@H](C)N1CC(NC(=O)c2c[nH]cc2C2CC2)C1 ZINC001268466511 776854663 /nfs/dbraw/zinc/85/46/63/776854663.db2.gz KMWCHOSEQPTHOO-GFCCVEGCSA-N 0 1 287.407 2.661 20 30 CFEDMN C#CCCCC(=O)NCCN[C@H](C)c1ccccc1Cl ZINC001126356885 776857512 /nfs/dbraw/zinc/85/75/12/776857512.db2.gz RQGDAYKMEHIFOU-CYBMUJFWSA-N 0 1 292.810 2.910 20 30 CFEDMN C=CCC[C@@H](C)N1CC(NC(=O)[C@@H](C)c2ccccc2)C1 ZINC001268475197 776864235 /nfs/dbraw/zinc/86/42/35/776864235.db2.gz YXORDEVJUXWLKC-CABCVRRESA-N 0 1 286.419 2.945 20 30 CFEDMN C=CCC[C@H](C)N1CC(NC(=O)[C@@H]2C[C@H]2c2ccccc2)C1 ZINC001268474984 776864285 /nfs/dbraw/zinc/86/42/85/776864285.db2.gz SVGIAYLVDDKSND-JCGIZDLHSA-N 0 1 298.430 2.945 20 30 CFEDMN C=CCC[C@H](C)N1CC(NC(=O)C[C@@H](C)n2cccc2)C1 ZINC001268475195 776864511 /nfs/dbraw/zinc/86/45/11/776864511.db2.gz YWHVAKNTDXMGSB-LSDHHAIUSA-N 0 1 289.423 2.594 20 30 CFEDMN CC#CCN1CCC(NC(=O)[C@@H](F)CCCCCC)CC1 ZINC001230025670 776943835 /nfs/dbraw/zinc/94/38/35/776943835.db2.gz WVPWGCAEFIAPSR-INIZCTEOSA-N 0 1 296.430 2.899 20 30 CFEDMN C#CCN1CCC(NC(=O)[C@H](F)CCCCCC)CC1 ZINC001230048525 776949104 /nfs/dbraw/zinc/94/91/04/776949104.db2.gz FQVPUDYXZYVKEF-OAHLLOKOSA-N 0 1 282.403 2.509 20 30 CFEDMN C=C1O[C@@H](CC)C(=O)C1Oc1cc2cn[nH]c2cc1C ZINC001230224907 776960025 /nfs/dbraw/zinc/96/00/25/776960025.db2.gz CCCRTPJZCUCQCR-LBPRGKRZSA-N 0 1 272.304 2.860 20 30 CFEDMN CC#C[C@@H](CC)Oc1cc2[nH]ncc2cc1[N+](=O)[O-] ZINC001230602298 777024152 /nfs/dbraw/zinc/02/41/52/777024152.db2.gz ZJWCTSLZVNSKLT-SNVBAGLBSA-N 0 1 259.265 2.652 20 30 CFEDMN CC#CCN(C)C[C@@H](C)NC(=O)CC/C=C/c1ccccc1 ZINC001268745595 777042861 /nfs/dbraw/zinc/04/28/61/777042861.db2.gz FGHSGQOGKROACE-JZUUQJBKSA-N 0 1 298.430 2.940 20 30 CFEDMN CCCCCCC[N@H+]1CC[C@@H]1CN(C)C(=O)COCC ZINC001230691358 777045510 /nfs/dbraw/zinc/04/55/10/777045510.db2.gz CRBOMSATAMMKFW-OAHLLOKOSA-N 0 1 284.444 2.526 20 30 CFEDMN C=CCN1CC(CNC(=O)C2(c3cc(C)cc(C)c3)CC2)C1 ZINC001268910804 777072337 /nfs/dbraw/zinc/07/23/37/777072337.db2.gz DTFLNZCIIFTXOC-UHFFFAOYSA-N 0 1 298.430 2.569 20 30 CFEDMN C#C[C@@H](CCC)Oc1[nH]c(=O)nc2ccc(OC)cc21 ZINC001230861468 777076435 /nfs/dbraw/zinc/07/64/35/777076435.db2.gz BCGQACRFICEMPP-JTQLQIEISA-N 0 1 272.304 2.525 20 30 CFEDMN CC#C[C@@H](CC)Oc1[nH]c(=O)nc2cc(C)ccc21 ZINC001230889028 777083301 /nfs/dbraw/zinc/08/33/01/777083301.db2.gz RLSLTROBMVIXPP-LLVKDONJSA-N 0 1 256.305 2.825 20 30 CFEDMN C=C1O[C@H](CC)C(=O)C1Oc1cc(C(=O)OC)ccc1F ZINC001230893984 777085283 /nfs/dbraw/zinc/08/52/83/777085283.db2.gz LPNRWNARHAHNEM-LLVKDONJSA-N 0 1 294.278 2.601 20 30 CFEDMN C#CCN1CC[C@H](NC(=O)CC(C)(C)C2CCCCC2)C1 ZINC001269083763 777098812 /nfs/dbraw/zinc/09/88/12/777098812.db2.gz NNCVXYOWKGCNGO-INIZCTEOSA-N 0 1 290.451 2.807 20 30 CFEDMN CCC(=O)NCCCN(C)CC#Cc1ccc(Cl)cc1 ZINC001230970057 777106153 /nfs/dbraw/zinc/10/61/53/777106153.db2.gz XMGNMWDIJJRSGM-UHFFFAOYSA-N 0 1 292.810 2.540 20 30 CFEDMN C=CCN1C[C@@H]2CCN(C(=O)C(F)=C3CCCC3)[C@@H]2C1 ZINC001075687251 777116845 /nfs/dbraw/zinc/11/68/45/777116845.db2.gz DSVYGFNWXCMSMO-UONOGXRCSA-N 0 1 278.371 2.503 20 30 CFEDMN C=C[C@H](CCC)Oc1nc(Cl)nc2[nH]ncc21 ZINC001231046805 777125150 /nfs/dbraw/zinc/12/51/50/777125150.db2.gz FLBQGXQETOJXRT-SSDOTTSWSA-N 0 1 252.705 2.740 20 30 CFEDMN C#C[C@H](Oc1[nH]c(=O)nc2cccc(F)c21)C(C)C ZINC001231074188 777133286 /nfs/dbraw/zinc/13/32/86/777133286.db2.gz MGWQIVWKQJKSKJ-NSHDSACASA-N 0 1 260.268 2.511 20 30 CFEDMN CC#CCN1CC[C@@H](NC(=O)CCCCCCCC)C1 ZINC001269191843 777136934 /nfs/dbraw/zinc/13/69/34/777136934.db2.gz FAVXBKIKIOTEAD-MRXNPFEDSA-N 0 1 278.440 2.951 20 30 CFEDMN C#CCN1CC[C@H](N(C)C(=O)CCCC[C@@H](C)CC)C1 ZINC001269246291 777149383 /nfs/dbraw/zinc/14/93/83/777149383.db2.gz VIOCJADFMPKKPT-HOTGVXAUSA-N 0 1 278.440 2.759 20 30 CFEDMN C=CCC(CC=C)C(=O)N(CC)[C@@H]1CCN(CC=C)C1 ZINC001269330644 777172731 /nfs/dbraw/zinc/17/27/31/777172731.db2.gz JLTJMKQWRVHRDF-MRXNPFEDSA-N 0 1 276.424 2.864 20 30 CFEDMN C#C[C@@H](Oc1nc(C)cc(O)c1[N+](=O)[O-])c1ccccc1 ZINC001231259064 777179010 /nfs/dbraw/zinc/17/90/10/777179010.db2.gz DZEPDUDMXJIXLD-CYBMUJFWSA-N 0 1 284.271 2.757 20 30 CFEDMN C=C[C@@H](CCC)Oc1nc(C)cc(O)c1[N+](=O)[O-] ZINC001231265175 777180857 /nfs/dbraw/zinc/18/08/57/777180857.db2.gz ZPOOQNNASIZGLO-VIFPVBQESA-N 0 1 252.270 2.737 20 30 CFEDMN C=C(Cl)CN[C@H](CC)CNC(=O)C[C@@H]1C=CCCC1 ZINC001269426547 777187913 /nfs/dbraw/zinc/18/79/13/777187913.db2.gz ZNSZNILSKUYNBO-ZIAGYGMSSA-N 0 1 284.831 2.970 20 30 CFEDMN C=CCCCC(=O)NCC1(NCC#Cc2ccccc2)CC1 ZINC001269480331 777195817 /nfs/dbraw/zinc/19/58/17/777195817.db2.gz HRHHNMVXILGAJI-UHFFFAOYSA-N 0 1 296.414 2.633 20 30 CFEDMN CC#CCN1CC[C@H]2CC[C@@H](C1)N2C(=O)CC(CC)CC ZINC001269601024 777219012 /nfs/dbraw/zinc/21/90/12/777219012.db2.gz BNYJMBVSXIPNCD-SJORKVTESA-N 0 1 290.451 2.901 20 30 CFEDMN C#CCN1CC[C@H]2CC[C@@H](C1)N2C(=O)[C@](C)(CC)CCC ZINC001269601762 777220069 /nfs/dbraw/zinc/22/00/69/777220069.db2.gz NNEJTVUXJWLAGS-SOLBZPMBSA-N 0 1 290.451 2.901 20 30 CFEDMN CCCC[N@H+](CCC#N)Cc1ccc(C(=O)[O-])s1 ZINC001231464081 777228054 /nfs/dbraw/zinc/22/80/54/777228054.db2.gz YONRAIPCMFQFDJ-UHFFFAOYSA-N 0 1 266.366 2.962 20 30 CFEDMN CCCC[N@@H+](CCC#N)Cc1ccc(C(=O)[O-])s1 ZINC001231464081 777228062 /nfs/dbraw/zinc/22/80/62/777228062.db2.gz YONRAIPCMFQFDJ-UHFFFAOYSA-N 0 1 266.366 2.962 20 30 CFEDMN C=C1CCC(C(=O)NC[C@H]2CCN(C/C=C/Cl)C2)CC1 ZINC001028779251 777242488 /nfs/dbraw/zinc/24/24/88/777242488.db2.gz XNTAVHNERWVOFK-JPFFYJABSA-N 0 1 296.842 2.923 20 30 CFEDMN C[N@@H+](Cc1ccc(C#N)cc1)Cc1cc(C(=O)[O-])ccc1O ZINC001231562886 777260833 /nfs/dbraw/zinc/26/08/33/777260833.db2.gz AIXCHBNWJIEEHE-UHFFFAOYSA-N 0 1 296.326 2.594 20 30 CFEDMN C=C(Cl)CNC[C@H]1CCCN1C(=O)/C(C)=C/CC ZINC001270016396 777288556 /nfs/dbraw/zinc/28/85/56/777288556.db2.gz RGRSTNBKPPFONZ-ASJRZHAZSA-N 0 1 270.804 2.676 20 30 CFEDMN C#Cc1cccc(CN2CCC(Oc3ncccn3)CC2)c1 ZINC001231659568 777298462 /nfs/dbraw/zinc/29/84/62/777298462.db2.gz OYXHIHVCOVNULX-UHFFFAOYSA-N 0 1 293.370 2.501 20 30 CFEDMN CC(=O)[C@@H]1CCCN1Cc1ccc(N(C)CCC#N)cc1 ZINC001231822224 777342829 /nfs/dbraw/zinc/34/28/29/777342829.db2.gz YBQNCSRVCVBUMW-KRWDZBQOSA-N 0 1 285.391 2.590 20 30 CFEDMN C#CC1CCN(Cc2cccnc2OCCC)CC1 ZINC001231866164 777356618 /nfs/dbraw/zinc/35/66/18/777356618.db2.gz GYOKRIVOJSNFDA-UHFFFAOYSA-N 0 1 258.365 2.716 20 30 CFEDMN N#C[C@@H]1CCCCN1Cc1cccc(Cl)c1O ZINC001231912261 777365253 /nfs/dbraw/zinc/36/52/53/777365253.db2.gz BFZUJULYPOGSEO-NSHDSACASA-N 0 1 250.729 2.924 20 30 CFEDMN C=C[C@H](CC)CC(=O)N1CC[C@H]2CC[C@@H](C1)N2CCF ZINC001270491351 777393513 /nfs/dbraw/zinc/39/35/13/777393513.db2.gz KGALSUBNXAUUQU-KFWWJZLASA-N 0 1 282.403 2.624 20 30 CFEDMN C#CCN1CC=C(CCNC(=O)[C@H](CC)CC(C)C)CC1 ZINC001161655168 777438660 /nfs/dbraw/zinc/43/86/60/777438660.db2.gz FGVCUKFYRPIATF-QGZVFWFLSA-N 0 1 290.451 2.830 20 30 CFEDMN COC[C@@H]1CCCN1Cc1ccc(C#N)c(Cl)c1 ZINC001232112387 777443144 /nfs/dbraw/zinc/44/31/44/777443144.db2.gz UWGPWCWUQJZPPN-ZDUSSCGKSA-N 0 1 264.756 2.822 20 30 CFEDMN N#C[C@H]1CCCN(Cc2cnc(-c3cccnc3)o2)CC1 ZINC001232134087 777448014 /nfs/dbraw/zinc/44/80/14/777448014.db2.gz UYRZROZYPIEKIQ-ZDUSSCGKSA-N 0 1 282.347 2.862 20 30 CFEDMN Cn1cc(CN2[C@@H]3CC[C@H]2C[C@H](C#N)C3)c(C2CC2)n1 ZINC001232170160 777460291 /nfs/dbraw/zinc/46/02/91/777460291.db2.gz MXTZCXGPDCIHQF-UWEBFBLFSA-N 0 1 270.380 2.564 20 30 CFEDMN COc1ccc(CN2CCC(c3cn[nH]c3)CC2)cc1C#N ZINC000340145447 777489767 /nfs/dbraw/zinc/48/97/67/777489767.db2.gz YHZXCSANIDEXEO-UHFFFAOYSA-N 0 1 296.374 2.670 20 30 CFEDMN CC#CCN1CC[C@H](NC(=O)c2sccc2C)[C@H]1CC ZINC001087488788 777499502 /nfs/dbraw/zinc/49/95/02/777499502.db2.gz SEYZFLQYSDLXME-UONOGXRCSA-N 0 1 290.432 2.663 20 30 CFEDMN C#CC1CC[NH+](Cc2cc(Cl)c(OC)cc2[O-])CC1 ZINC001232267836 777499635 /nfs/dbraw/zinc/49/96/35/777499635.db2.gz HTPGSGVQSWJUDI-UHFFFAOYSA-N 0 1 279.767 2.899 20 30 CFEDMN C#C[C@@H]1CCCN(Cc2cnc(SC)cc2C)C1 ZINC001232348160 777531778 /nfs/dbraw/zinc/53/17/78/777531778.db2.gz ODJTZSQFDFNDNB-CYBMUJFWSA-N 0 1 260.406 2.957 20 30 CFEDMN C[C@@H](CNCc1ccccc1C#N)N(C)C(=O)C=C1CCC1 ZINC001270929281 777607079 /nfs/dbraw/zinc/60/70/79/777607079.db2.gz KEQMULCGRALBKN-AWEZNQCLSA-N 0 1 297.402 2.605 20 30 CFEDMN N#Cc1cc(Cl)ccc1CN1C[C@@H]2[C@H]3CC[C@H](O3)[C@@H]2C1 ZINC001232609433 777614541 /nfs/dbraw/zinc/61/45/41/777614541.db2.gz DHGGEOBKEJWBHO-SYMSYNOKSA-N 0 1 288.778 2.821 20 30 CFEDMN C=C(C)CCC(=O)N(C)[C@@H](C)CNCc1oc(C)nc1C ZINC001270976803 777618799 /nfs/dbraw/zinc/61/87/99/777618799.db2.gz SIRGEJOTWYQNGF-LBPRGKRZSA-N 0 1 293.411 2.584 20 30 CFEDMN N#Cc1ccc([O-])c(C[N@H+]2CCCC(F)(F)[C@H](F)C2)c1 ZINC001232673137 777637130 /nfs/dbraw/zinc/63/71/30/777637130.db2.gz ASUZHXRPACVDOK-CYBMUJFWSA-N 0 1 284.281 2.833 20 30 CFEDMN C[N@@H+](Cc1cccc(O)c1)Cc1cc(C#N)ccc1[O-] ZINC001232674344 777638861 /nfs/dbraw/zinc/63/88/61/777638861.db2.gz XHSZGCFJGBDOQM-UHFFFAOYSA-N 0 1 268.316 2.601 20 30 CFEDMN C=C[C@@H](CC)CC(=O)N(C)[C@@H](C)CNCC(=C)Cl ZINC001271076763 777644406 /nfs/dbraw/zinc/64/44/06/777644406.db2.gz VTIKRKLPRTXONE-STQMWFEESA-N 0 1 272.820 2.778 20 30 CFEDMN C=C(C)CN1CCC(F)(F)[C@@H](CNC(=O)CCCC)C1 ZINC001271087065 777646505 /nfs/dbraw/zinc/64/65/05/777646505.db2.gz VSERYXAOJUZAGL-ZDUSSCGKSA-N 0 1 288.382 2.826 20 30 CFEDMN C#CCN1CC[C@H](NC(=O)[C@@H]2CCC(C)=C(C)C2)[C@H]1CC ZINC001087584170 777663266 /nfs/dbraw/zinc/66/32/66/777663266.db2.gz QTVAJXVMUSHSCQ-IXDOHACOSA-N 0 1 288.435 2.725 20 30 CFEDMN C#CCN1CC[C@H](NC(=O)c2cscc2Cl)[C@H]1CC ZINC001087613825 777666918 /nfs/dbraw/zinc/66/69/18/777666918.db2.gz LOUOLIIYLGKBIG-QWHCGFSZSA-N 0 1 296.823 2.617 20 30 CFEDMN C#CCN1CC[C@H](NC(=O)C2(C3CCC3)CCC2)[C@H]1CC ZINC001087675949 777676801 /nfs/dbraw/zinc/67/68/01/777676801.db2.gz MNSQYEHPWMABOL-JKSUJKDBSA-N 0 1 288.435 2.559 20 30 CFEDMN CC(C)(C)N1CCN(Cc2ccc(C#N)s2)CC1 ZINC001232843867 777689735 /nfs/dbraw/zinc/68/97/35/777689735.db2.gz GIEHRCLIBDEVAK-UHFFFAOYSA-N 0 1 263.410 2.536 20 30 CFEDMN C#CC[N@@H+]1CC[C@H](NC(=O)CC2CCCCCC2)[C@H]1CC ZINC001087742264 777691230 /nfs/dbraw/zinc/69/12/30/777691230.db2.gz CAWYMDSEXUTNKU-DLBZAZTESA-N 0 1 290.451 2.949 20 30 CFEDMN C#CCN1CC[C@H](NC(=O)CC2CCCCCC2)[C@H]1CC ZINC001087742264 777691233 /nfs/dbraw/zinc/69/12/33/777691233.db2.gz CAWYMDSEXUTNKU-DLBZAZTESA-N 0 1 290.451 2.949 20 30 CFEDMN C#CC[N@@H+]1CC[C@H](NC(=O)[C@H](C)c2cccc(C)c2)[C@H]1CC ZINC001087742920 777691721 /nfs/dbraw/zinc/69/17/21/777691721.db2.gz HEWYKDOXNWLLLU-BPQIPLTHSA-N 0 1 298.430 2.701 20 30 CFEDMN C#CCN1CC[C@H](NC(=O)[C@H](C)c2cccc(C)c2)[C@H]1CC ZINC001087742920 777691727 /nfs/dbraw/zinc/69/17/27/777691727.db2.gz HEWYKDOXNWLLLU-BPQIPLTHSA-N 0 1 298.430 2.701 20 30 CFEDMN Cc1ccnn1C1CCN(Cc2ccc(C#N)s2)CC1 ZINC001232844723 777691960 /nfs/dbraw/zinc/69/19/60/777691960.db2.gz APSOHGLBFIIJEK-UHFFFAOYSA-N 0 1 286.404 2.962 20 30 CFEDMN C=CCN1CC[C@H](NC(=O)c2sc(C)nc2C)[C@H]1CC ZINC001087822306 777708342 /nfs/dbraw/zinc/70/83/42/777708342.db2.gz HLTXCMGWBVKJJR-QWHCGFSZSA-N 0 1 293.436 2.529 20 30 CFEDMN N#CCC1CN(Cc2ccccc2-n2cccc2)C1 ZINC001232909744 777718305 /nfs/dbraw/zinc/71/83/05/777718305.db2.gz UNJJVDRDWDWCRI-UHFFFAOYSA-N 0 1 251.333 2.823 20 30 CFEDMN C#CCN1CC[C@H](NC(=O)C2CC(C(C)(C)C)C2)[C@H]1CC ZINC001087845494 777719792 /nfs/dbraw/zinc/71/97/92/777719792.db2.gz DGKHYQWKYMUCIK-SSHXOBKSSA-N 0 1 290.451 2.661 20 30 CFEDMN COC(=O)CC1CCN(Cc2ccc(C)cc2C#N)CC1 ZINC001232964285 777740727 /nfs/dbraw/zinc/74/07/27/777740727.db2.gz ULRASKOVWMJSFO-UHFFFAOYSA-N 0 1 286.375 2.642 20 30 CFEDMN Cc1ccc(CN2CCC(CC#N)CC2)c(C#N)c1 ZINC001232966130 777740900 /nfs/dbraw/zinc/74/09/00/777740900.db2.gz GQRVDJQYIYWYQT-UHFFFAOYSA-N 0 1 253.349 2.992 20 30 CFEDMN Cc1ccc(CN(C)[C@H]2CCC3(C2)OCCO3)c(C#N)c1 ZINC001232969038 777745294 /nfs/dbraw/zinc/74/52/94/777745294.db2.gz WKWVBFZPXYHMGC-INIZCTEOSA-N 0 1 286.375 2.594 20 30 CFEDMN N#Cc1cc[nH]c1CN1C[C@@H]2C[C@H](C1)c1ccccc12 ZINC001233049012 777778730 /nfs/dbraw/zinc/77/87/30/777778730.db2.gz ULZSLOLIHKLNEL-OKILXGFUSA-N 0 1 263.344 2.973 20 30 CFEDMN Cc1cc(C#N)ccc1CN1CC2(C1)C[C@@H](F)CS2 ZINC001233082183 777791530 /nfs/dbraw/zinc/79/15/30/777791530.db2.gz CRCXFNOMCHAOIE-CQSZACIVSA-N 0 1 276.380 2.896 20 30 CFEDMN Cc1cc(C#N)ccc1CN1CCC[C@@H]1c1cnccn1 ZINC001233083143 777792671 /nfs/dbraw/zinc/79/26/71/777792671.db2.gz XUKQQDSELXBDMZ-QGZVFWFLSA-N 0 1 278.359 2.994 20 30 CFEDMN CN(C)c1ccc(CN2C[C@H]3CC[C@@H]2C3)c(F)c1C#N ZINC001233102348 777794918 /nfs/dbraw/zinc/79/49/18/777794918.db2.gz XBQGXUOWDIHDHB-WCQYABFASA-N 0 1 273.355 2.748 20 30 CFEDMN N#C[C@@H]1CCCCN1Cc1n[nH]c2cc(F)ccc21 ZINC001233122603 777801364 /nfs/dbraw/zinc/80/13/64/777801364.db2.gz CBQKJTWXWWKRQY-NSHDSACASA-N 0 1 258.300 2.580 20 30 CFEDMN COc1c(O)cccc1CN1CCC[C@H](C#N)CC1 ZINC001233257040 777848601 /nfs/dbraw/zinc/84/86/01/777848601.db2.gz JZCWUWLCEMTEBX-LBPRGKRZSA-N 0 1 260.337 2.526 20 30 CFEDMN C#CCN[C@H](CNC(=O)C1CCCC1)c1ccccc1CC ZINC001271439296 777855089 /nfs/dbraw/zinc/85/50/89/777855089.db2.gz QYJVVMWPIDFKCL-GOSISDBHSA-N 0 1 298.430 2.819 20 30 CFEDMN C=C(C)CN1CC[C@H]1CN(C)C(=O)C=C(CC)CC ZINC001233644850 778022785 /nfs/dbraw/zinc/02/27/85/778022785.db2.gz UDLDWGATGFKHCO-HNNXBMFYSA-N 0 1 264.413 2.842 20 30 CFEDMN COC(=O)c1cccc2nc(OC3CCC(C#N)CC3)[nH]c21 ZINC001234039463 778149299 /nfs/dbraw/zinc/14/92/99/778149299.db2.gz OJCTXAWKSKTFKQ-UHFFFAOYSA-N 0 1 299.330 2.811 20 30 CFEDMN C=C1O[C@@H](CC)C(=O)C1Oc1cnc(Cl)c(OC)c1 ZINC001234121050 778170743 /nfs/dbraw/zinc/17/07/43/778170743.db2.gz WODSYHZSVKUAJX-VIFPVBQESA-N 0 1 283.711 2.732 20 30 CFEDMN C[C@@H](Cc1ccco1)Oc1[nH]c(=O)nc2cccc(C#N)c21 ZINC001234512671 778240539 /nfs/dbraw/zinc/24/05/39/778240539.db2.gz DBBNYSQFIDNTAU-JTQLQIEISA-N 0 1 295.298 2.810 20 30 CFEDMN C#C[C@H](CCCC)Oc1[nH]c(=O)nc2ccc(C#N)cc21 ZINC001234530271 778245049 /nfs/dbraw/zinc/24/50/49/778245049.db2.gz JSBKWROMUHEWLP-GFCCVEGCSA-N 0 1 281.315 2.778 20 30 CFEDMN C=C[C@H](CCC)Oc1nc(C)[nH]c(=O)c1Br ZINC001234567568 778253210 /nfs/dbraw/zinc/25/32/10/778253210.db2.gz HXSVFPFZEFUNDE-MRVPVSSYSA-N 0 1 287.157 2.987 20 30 CFEDMN N#CC[C@@H](Oc1nc(F)nc2nc[nH]c21)c1ccccc1 ZINC001234688582 778287080 /nfs/dbraw/zinc/28/70/80/778287080.db2.gz BOVGDDFFSHGLHT-SNVBAGLBSA-N 0 1 283.266 2.526 20 30 CFEDMN C=C[C@H](CC)CC(=O)N(C)C[C@@H](C)NCc1cnc(C)o1 ZINC001277914325 778346898 /nfs/dbraw/zinc/34/68/98/778346898.db2.gz NUHYIZGEEVYACS-TZMCWYRMSA-N 0 1 293.411 2.522 20 30 CFEDMN C#CCN(C)CCN(C)C(=O)C[C@@H]1C[C@@H](C)CC(C)(C)C1 ZINC001272138406 778362059 /nfs/dbraw/zinc/36/20/59/778362059.db2.gz VBLBVVKHOULRMN-CVEARBPZSA-N 0 1 292.467 2.862 20 30 CFEDMN C=C1O[C@@H](CC)C(=O)C1O[C@@H](C)c1nccs1 ZINC001224009361 778391797 /nfs/dbraw/zinc/39/17/97/778391797.db2.gz WXRYBXQCYJAYPM-IUCAKERBSA-N 0 1 253.323 2.830 20 30 CFEDMN C=C(C)CN1CC[C@H](NC(=O)c2ccc(CC)o2)[C@H]1C ZINC001088669092 778381112 /nfs/dbraw/zinc/38/11/12/778381112.db2.gz BVMIQDKOVSYAFP-OCCSQVGLSA-N 0 1 276.380 2.611 20 30 CFEDMN C=CCN1CC[C@H]1CN(C)C(=O)C[C@H]1CCC(F)(F)C1 ZINC001235142784 778395554 /nfs/dbraw/zinc/39/55/54/778395554.db2.gz QWBLYWFQMNPRIQ-OLZOCXBDSA-N 0 1 286.366 2.531 20 30 CFEDMN C=C[C@@](C)(CC)C(=O)N(C)C[C@@H](C)NCc1ocnc1C ZINC001277928500 778403255 /nfs/dbraw/zinc/40/32/55/778403255.db2.gz FZKQFDKMYUNREY-WBMJQRKESA-N 0 1 293.411 2.522 20 30 CFEDMN C=C[C@@](C)(CC)C(=O)N(C)C[C@H](C)NCc1ocnc1C ZINC001277928498 778403627 /nfs/dbraw/zinc/40/36/27/778403627.db2.gz FZKQFDKMYUNREY-LRDDRELGSA-N 0 1 293.411 2.522 20 30 CFEDMN C=C1O[C@H](C)C(=O)C1OCc1ccc(C(=O)OC)c(C)c1 ZINC001224202093 778455432 /nfs/dbraw/zinc/45/54/32/778455432.db2.gz UHEDQLFKYFNCFK-SNVBAGLBSA-N 0 1 290.315 2.518 20 30 CFEDMN CC[C@H]1OC(C)=C(OCCOc2ccccc2C)C1=O ZINC001224320523 778469407 /nfs/dbraw/zinc/46/94/07/778469407.db2.gz ZMVSLSOWBNHERW-CYBMUJFWSA-N 0 1 276.332 3.000 20 30 CFEDMN CC[C@@H]1OC(C)=C(OCCOc2ccccc2C)C1=O ZINC001224320526 778469477 /nfs/dbraw/zinc/46/94/77/778469477.db2.gz ZMVSLSOWBNHERW-ZDUSSCGKSA-N 0 1 276.332 3.000 20 30 CFEDMN CCOC(=O)c1ccc(CN2CCC(C)(C#N)CC2)cc1 ZINC001142599697 778518373 /nfs/dbraw/zinc/51/83/73/778518373.db2.gz PQELGNTWXKECER-UHFFFAOYSA-N 0 1 286.375 2.989 20 30 CFEDMN C=CCN1CC[C@H](NC(=O)c2ccoc2C2CC2)[C@H]1C ZINC001088817346 778529212 /nfs/dbraw/zinc/52/92/12/778529212.db2.gz MSPXJYZGXCZCBQ-RISCZKNCSA-N 0 1 274.364 2.536 20 30 CFEDMN C=CCC[C@H](C)[N@H+]1CC[C@@H]1CN(C)C(=O)c1ccsn1 ZINC001235683250 778535897 /nfs/dbraw/zinc/53/58/97/778535897.db2.gz GBANOAIMMQMOFL-QWHCGFSZSA-N 0 1 293.436 2.644 20 30 CFEDMN C#C[C@@H]1CCCN(Cc2nc3ccc(F)cc3[nH]2)C1 ZINC001235692413 778539535 /nfs/dbraw/zinc/53/95/35/778539535.db2.gz AZJLUMQQDRJYHF-LLVKDONJSA-N 0 1 257.312 2.547 20 30 CFEDMN C=C(C)CN1CC[C@H]1CN(C)C(=O)C[C@H]1C=CCCC1 ZINC001235757373 778553240 /nfs/dbraw/zinc/55/32/40/778553240.db2.gz HCHIGIQCMRURDI-HOTGVXAUSA-N 0 1 276.424 2.842 20 30 CFEDMN C[C@H](CC(=O)Nc1cccc(Cl)c1)NCCC#N ZINC000346749895 778586964 /nfs/dbraw/zinc/58/69/64/778586964.db2.gz WPLHQAFCJVBCHY-SNVBAGLBSA-N 0 1 265.744 2.560 20 30 CFEDMN COc1ccc(Cl)cc1NC(=O)C[C@H](C)NCCC#N ZINC000346742983 778587797 /nfs/dbraw/zinc/58/77/97/778587797.db2.gz VIKYVNLFVCDPLK-JTQLQIEISA-N 0 1 295.770 2.569 20 30 CFEDMN CN1CCN(c2cccc(-c3ccc(F)c(C#N)c3)n2)CC1 ZINC001235890920 778593156 /nfs/dbraw/zinc/59/31/56/778593156.db2.gz WZCRAEMJFXQZKC-UHFFFAOYSA-N 0 1 296.349 2.511 20 30 CFEDMN Cc1nc2c[nH]cc(-c3ccc(F)c(C#N)c3)c-2n1 ZINC001235895995 778596846 /nfs/dbraw/zinc/59/68/46/778596846.db2.gz WVRFUACKVUNEPG-UHFFFAOYSA-N 0 1 252.252 2.944 20 30 CFEDMN Cc1nc2c(cncc2-c2ccc(F)c(C#N)c2)[nH]1 ZINC001235895995 778596848 /nfs/dbraw/zinc/59/68/48/778596848.db2.gz WVRFUACKVUNEPG-UHFFFAOYSA-N 0 1 252.252 2.944 20 30 CFEDMN N#Cc1cnc2ccc(-c3c(F)cc(F)c(O)c3F)cn12 ZINC001235998244 778648499 /nfs/dbraw/zinc/64/84/99/778648499.db2.gz WAUKPQGWDVHZKC-UHFFFAOYSA-N 0 1 289.216 2.996 20 30 CFEDMN CN[C@H]1CCN1Cc1ccc(C#Cc2ccccc2)cc1 ZINC001236168764 778723537 /nfs/dbraw/zinc/72/35/37/778723537.db2.gz XDHAXWXLKULFKZ-LJQANCHMSA-N 0 1 276.383 2.838 20 30 CFEDMN N#Cc1ccccc1CN1CC[C@H](OCCCF)C1 ZINC001225157840 778853342 /nfs/dbraw/zinc/85/33/42/778853342.db2.gz SOIOLMNZZUOTJJ-HNNXBMFYSA-N 0 1 262.328 2.509 20 30 CFEDMN COc1ccc(C#N)cc1-c1nccc2[nH]cnc21 ZINC001236534878 778868540 /nfs/dbraw/zinc/86/85/40/778868540.db2.gz OCBANVJLKKITAO-UHFFFAOYSA-N 0 1 250.261 2.505 20 30 CFEDMN COc1ccc(C#N)cc1-c1cccc2[nH]nnc21 ZINC001236544014 778872450 /nfs/dbraw/zinc/87/24/50/778872450.db2.gz WUQOXSXIZVEBFU-UHFFFAOYSA-N 0 1 250.261 2.505 20 30 CFEDMN C#CCN1CCN(Cc2cccc3sccc32)CC1 ZINC001236690093 778910777 /nfs/dbraw/zinc/91/07/77/778910777.db2.gz OWHFVTNGIMYMSY-UHFFFAOYSA-N 0 1 270.401 2.652 20 30 CFEDMN C=CCN1CC[C@H](NC(=O)c2ccc(C)c(F)c2F)[C@H]1C ZINC001088874771 778929772 /nfs/dbraw/zinc/92/97/72/778929772.db2.gz XDQGJULYBHDAMT-YPMHNXCESA-N 0 1 294.345 2.652 20 30 CFEDMN CCOc1cncc(CN2[C@@H]3CC[C@H]2C[C@H](C#N)C3)c1 ZINC001236838475 778962763 /nfs/dbraw/zinc/96/27/63/778962763.db2.gz HFFNMRZGLHAAGT-XMQYKBBCSA-N 0 1 271.364 2.747 20 30 CFEDMN C=CCN1CC[C@H](NC(=O)c2occ3c2CCCC3)[C@H]1C ZINC001089004889 778972638 /nfs/dbraw/zinc/97/26/38/778972638.db2.gz HOFNONNMBLGFPG-DOMZBBRYSA-N 0 1 288.391 2.537 20 30 CFEDMN C=CCN1CC[C@H](NC(=O)c2cc3c(s2)CCC3)[C@H]1C ZINC001089022248 778976466 /nfs/dbraw/zinc/97/64/66/778976466.db2.gz JHBARQSPFOYINP-YPMHNXCESA-N 0 1 290.432 2.615 20 30 CFEDMN C=CCN1CC[C@H](NC(=O)C23CCC(CC2)CC3)[C@H]1C ZINC001089051176 778984185 /nfs/dbraw/zinc/98/41/85/778984185.db2.gz DYPLYDMOMNNPSB-GJEMEMOUSA-N 0 1 276.424 2.722 20 30 CFEDMN CCCCCCCN1CC2(C1)COCC(=O)N2CC(C)C ZINC001272478696 779124603 /nfs/dbraw/zinc/12/46/03/779124603.db2.gz NZQZOLRHAHZZNK-UHFFFAOYSA-N 0 1 296.455 2.526 20 30 CFEDMN N#Cc1ccc2nc(CN3CCCC4(CCC4)C3)cn2c1 ZINC001237616693 779144474 /nfs/dbraw/zinc/14/44/74/779144474.db2.gz FJFXHVLMKLATGP-UHFFFAOYSA-N 0 1 280.375 2.972 20 30 CFEDMN C=C(C)C[N@H+]1CC[C@@](C)(NC(=O)[C@@H]2CCC(F)(F)C2)C1 ZINC001046365821 779160159 /nfs/dbraw/zinc/16/01/59/779160159.db2.gz AEDZFHJNTLKBSR-TZMCWYRMSA-N 0 1 286.366 2.579 20 30 CFEDMN C[C@@H]1CN(Cc2cc(Cl)cc(C#N)c2)CCC[C@H]1O ZINC001237745677 779172946 /nfs/dbraw/zinc/17/29/46/779172946.db2.gz HQOKVVXYUMKFSL-IAQYHMDHSA-N 0 1 278.783 2.804 20 30 CFEDMN N#Cc1cc(Cl)cc(CN2CCC[C@@]23CCOC3)c1 ZINC001237751898 779174794 /nfs/dbraw/zinc/17/47/94/779174794.db2.gz AGZVAFQRICCVND-HNNXBMFYSA-N 0 1 276.767 2.967 20 30 CFEDMN N#C[C@H]1CCCN(Cc2cc(F)cc(Cl)c2O)C1 ZINC001237798320 779180333 /nfs/dbraw/zinc/18/03/33/779180333.db2.gz DQJWDTOJSBTYCW-SECBINFHSA-N 0 1 268.719 2.920 20 30 CFEDMN CCc1ccc(NC(=O)C(C#N)C(=O)[C@@H](C)C2CC2)cc1 ZINC000176531742 779218449 /nfs/dbraw/zinc/21/84/49/779218449.db2.gz VELZMHPDYDOKEC-NHYWBVRUSA-N 0 1 284.359 2.942 20 30 CFEDMN CCc1ccc(NC(=O)C(C#N)C(=O)[C@H](C)C2CC2)cc1 ZINC000176531767 779218681 /nfs/dbraw/zinc/21/86/81/779218681.db2.gz VELZMHPDYDOKEC-ABAIWWIYSA-N 0 1 284.359 2.942 20 30 CFEDMN CCN(CCC#N)Cc1cc(F)c(O)c(Cl)c1 ZINC001237988359 779222944 /nfs/dbraw/zinc/22/29/44/779222944.db2.gz HAQBDBRCOPMDPM-UHFFFAOYSA-N 0 1 256.708 2.920 20 30 CFEDMN CC1=C(Oc2c(O)cc(Cl)cc2F)C(=O)[C@@H](C)O1 ZINC001234448548 779229518 /nfs/dbraw/zinc/22/95/18/779229518.db2.gz UOUQPRUQAWAYAJ-RXMQYKEDSA-N 0 1 272.659 2.783 20 30 CFEDMN C#CC1CCN(Cc2cc(C3CC3)cnc2OC)CC1 ZINC001238033021 779239181 /nfs/dbraw/zinc/23/91/81/779239181.db2.gz ZVZQBLOWZVHZNV-UHFFFAOYSA-N 0 1 270.376 2.813 20 30 CFEDMN N#Cc1ccc(CN2CC[C@H](O)[C@@H](F)CC2)c(Cl)c1 ZINC001238080355 779248368 /nfs/dbraw/zinc/24/83/68/779248368.db2.gz OQOLSADEFRXYSR-KBPBESRZSA-N 0 1 282.746 2.506 20 30 CFEDMN N#C[C@@H]1CCN(Cc2cc(Cl)c(O)cc2F)C1 ZINC001238149168 779261695 /nfs/dbraw/zinc/26/16/95/779261695.db2.gz GXLCSKIFOLGXMX-QMMMGPOBSA-N 0 1 254.692 2.530 20 30 CFEDMN Cc1nc(CCN(C)Cc2ccc(Cl)c(C#N)c2)no1 ZINC001238188690 779273536 /nfs/dbraw/zinc/27/35/36/779273536.db2.gz HFMSDDXMYYJVMM-UHFFFAOYSA-N 0 1 290.754 2.578 20 30 CFEDMN C[C@H]1CN(Cc2ccc(Cl)c(C#N)c2)CCC[C@@H]1O ZINC001238189783 779274706 /nfs/dbraw/zinc/27/47/06/779274706.db2.gz WMJQZRUZMHJWHI-NHYWBVRUSA-N 0 1 278.783 2.804 20 30 CFEDMN COc1cc(CN2CC[C@H]3CCCO[C@@H]3C2)ccc1C#N ZINC001238410572 779307541 /nfs/dbraw/zinc/30/75/41/779307541.db2.gz RWCQDCHOLTUWJL-RHSMWYFYSA-N 0 1 286.375 2.568 20 30 CFEDMN CCC(=O)N[C@@H]1CCCN(Cc2ccc(C#N)c(CC)c2)C1 ZINC001238772912 779388742 /nfs/dbraw/zinc/38/87/42/779388742.db2.gz RUCILFJBYKSXDH-QGZVFWFLSA-N 0 1 299.418 2.611 20 30 CFEDMN COc1cc2[nH]cnc2cc1-c1cnc(C#N)c(F)c1 ZINC001238993467 779436871 /nfs/dbraw/zinc/43/68/71/779436871.db2.gz ZPYCGRGBWGSENN-UHFFFAOYSA-N 0 1 268.251 2.644 20 30 CFEDMN C=C[C@@](C)(CC)C(=O)N1CCC2(C1)CCN(CCF)CC2 ZINC001040830149 779470066 /nfs/dbraw/zinc/47/00/66/779470066.db2.gz KUBFPTVLJVQHQU-INIZCTEOSA-N 0 1 296.430 2.873 20 30 CFEDMN C=C1CC(C)(C(=O)N[C@@H]2CCN(CCF)CC(C)(C)C2)C1 ZINC001089484700 779493839 /nfs/dbraw/zinc/49/38/39/779493839.db2.gz AHCLOOQBQAMMNG-CQSZACIVSA-N 0 1 296.430 2.919 20 30 CFEDMN CCCCCCCCOC(=O)N1CCN[C@H]2C[C@H]21 ZINC001239330970 779519602 /nfs/dbraw/zinc/51/96/02/779519602.db2.gz AUVAVXKEWKHIPG-QWHCGFSZSA-N 0 1 254.374 2.530 20 30 CFEDMN C=CCN1CC(CNC(=O)[C@@H]2[C@@H](c3ccccc3)C2(C)C)C1 ZINC001031673706 779525361 /nfs/dbraw/zinc/52/53/61/779525361.db2.gz SKMOKIFFOAIERZ-SJORKVTESA-N 0 1 298.430 2.660 20 30 CFEDMN C=C(C)CN1CC(CNC(=O)c2sccc2Cl)C1 ZINC001031690842 779529566 /nfs/dbraw/zinc/52/95/66/779529566.db2.gz IHRPJNYNJHAAMA-UHFFFAOYSA-N 0 1 284.812 2.639 20 30 CFEDMN C=CC[N@H+]1CC(C)(C)CC[C@H]1CNC(=O)c1ccoc1 ZINC001089610835 779543542 /nfs/dbraw/zinc/54/35/42/779543542.db2.gz XEOSIZPMIDCQRE-AWEZNQCLSA-N 0 1 276.380 2.686 20 30 CFEDMN C=CCN1CC(C)(C)CC[C@H]1CNC(=O)c1ccoc1 ZINC001089610835 779543547 /nfs/dbraw/zinc/54/35/47/779543547.db2.gz XEOSIZPMIDCQRE-AWEZNQCLSA-N 0 1 276.380 2.686 20 30 CFEDMN C=CCN1CC(CNC(=O)c2cc(C)ccc2C2CC2)C1 ZINC001031873854 779656082 /nfs/dbraw/zinc/65/60/82/779656082.db2.gz CHKDPGASZLOPSE-UHFFFAOYSA-N 0 1 284.403 2.720 20 30 CFEDMN C=C(C)CN1CC(CNC(=O)c2ccc(C3CC3)nc2C)C1 ZINC001031984422 779696111 /nfs/dbraw/zinc/69/61/11/779696111.db2.gz IURISUGYIONKTC-UHFFFAOYSA-N 0 1 299.418 2.505 20 30 CFEDMN C=C(Cl)CN[C@@H]1CN(C(=O)c2ccoc2C)CC1(C)C ZINC000995419206 779742424 /nfs/dbraw/zinc/74/24/24/779742424.db2.gz YRJLMHOWDZNGER-CYBMUJFWSA-N 0 1 296.798 2.781 20 30 CFEDMN C=CCN1CC(CNC(=O)c2cc(C)c(F)cc2Cl)C1 ZINC001032155725 779747463 /nfs/dbraw/zinc/74/74/63/779747463.db2.gz CIISNPFHXZEBBN-UHFFFAOYSA-N 0 1 296.773 2.635 20 30 CFEDMN C=CCN1CC(CNC(=O)c2c(C)csc2Cl)C1 ZINC001032152665 779748623 /nfs/dbraw/zinc/74/86/23/779748623.db2.gz DYPKSEWOLPCCRG-UHFFFAOYSA-N 0 1 284.812 2.558 20 30 CFEDMN N#Cc1cc(CN2CC[C@@]3(CCOC3)C2)ccc1Cl ZINC001238189141 779760877 /nfs/dbraw/zinc/76/08/77/779760877.db2.gz MSHQOVVRJPFRBH-OAHLLOKOSA-N 0 1 276.767 2.824 20 30 CFEDMN C[C@@H]1CN(Cc2ccc(Cl)c(C#N)c2)CC[C@]1(C)O ZINC001238188575 779760939 /nfs/dbraw/zinc/76/09/39/779760939.db2.gz FZNAMNFEMSQAOM-ABAIWWIYSA-N 0 1 278.783 2.804 20 30 CFEDMN C=C(Cl)C[N@H+]1CC[C@@]2(CNC(=O)C(C)C)CCC[C@@H]12 ZINC001107284337 779829126 /nfs/dbraw/zinc/82/91/26/779829126.db2.gz XNYZCRMAIAIPQA-UKRRQHHQSA-N 0 1 284.831 2.756 20 30 CFEDMN C=C(Cl)CN1CC[C@@]2(CNC(=O)C(C)C)CCC[C@@H]12 ZINC001107284337 779829136 /nfs/dbraw/zinc/82/91/36/779829136.db2.gz XNYZCRMAIAIPQA-UKRRQHHQSA-N 0 1 284.831 2.756 20 30 CFEDMN CN1CCC(C#N)(NC(=O)/C(F)=C\C2CCCCC2)CC1 ZINC001127794205 779858440 /nfs/dbraw/zinc/85/84/40/779858440.db2.gz VPQINZGZACNPSZ-SDNWHVSQSA-N 0 1 293.386 2.524 20 30 CFEDMN C=C(C)CCN1C[C@@H]2C[C@H]1CN2C(=O)c1cc(C)cs1 ZINC001032392766 779922431 /nfs/dbraw/zinc/92/24/31/779922431.db2.gz PXELTUOAUWHKNS-KBPBESRZSA-N 0 1 290.432 2.921 20 30 CFEDMN C=C(C)CCN1CCO[C@@](C)(CNC(=O)C[C@@H](C)CC)C1 ZINC001107901478 779933421 /nfs/dbraw/zinc/93/34/21/779933421.db2.gz QRPDMPVNWREKGZ-RDJZCZTQSA-N 0 1 296.455 2.596 20 30 CFEDMN C=C(C)CC[N@H+]1CCO[C@](C)(CNC(=O)/C=C(\C)CC)C1 ZINC001107923521 779939472 /nfs/dbraw/zinc/93/94/72/779939472.db2.gz FCFWIJKOFDNGHN-GSPCDJLXSA-N 0 1 294.439 2.516 20 30 CFEDMN C=C(C)CCN1CCO[C@](C)(CNC(=O)/C=C(\C)CC)C1 ZINC001107923521 779939478 /nfs/dbraw/zinc/93/94/78/779939478.db2.gz FCFWIJKOFDNGHN-GSPCDJLXSA-N 0 1 294.439 2.516 20 30 CFEDMN C[C@H]1CCC[C@@H]1CC(=O)NCCNCc1ccccc1C#N ZINC001127927028 779943664 /nfs/dbraw/zinc/94/36/64/779943664.db2.gz AAPWLFADVNPUES-LSDHHAIUSA-N 0 1 299.418 2.590 20 30 CFEDMN C=C(C)CN1C[C@@H]2C[C@H]1CN2C(=O)Cc1ccccc1CC ZINC001032472590 779962602 /nfs/dbraw/zinc/96/26/02/779962602.db2.gz ZJOJKGKUJMRTCK-ROUUACIJSA-N 0 1 298.430 2.653 20 30 CFEDMN C=C(C)CN1CC[C@@]2(CCC[N@H+]2Cc2cnccc2C)C1=O ZINC001272815874 780124143 /nfs/dbraw/zinc/12/41/43/780124143.db2.gz UFFFLBUVAMWTSY-SFHVURJKSA-N 0 1 299.418 2.533 20 30 CFEDMN C=C(C)CN1CC[C@@]2(CCCN2Cc2cnccc2C)C1=O ZINC001272815874 780124147 /nfs/dbraw/zinc/12/41/47/780124147.db2.gz UFFFLBUVAMWTSY-SFHVURJKSA-N 0 1 299.418 2.533 20 30 CFEDMN Cc1cc(C#N)nc(C2=CCCN(Cc3ccccc3)C2)n1 ZINC001240385189 780129069 /nfs/dbraw/zinc/12/90/69/780129069.db2.gz ZKKXOVQTRITQJQ-UHFFFAOYSA-N 0 1 290.370 2.946 20 30 CFEDMN C#CCCN1C[C@@H]2C[C@H]1CN2C(=O)[C@H]1CC[C@H](CC)CC1 ZINC001032742864 780167841 /nfs/dbraw/zinc/16/78/41/780167841.db2.gz ZLJFBPSMRACMHB-QAETUUGQSA-N 0 1 288.435 2.511 20 30 CFEDMN C=C(C)CN1CC[C@@]2(CCCN2Cc2cncc(C)c2)C1=O ZINC001272840065 780172316 /nfs/dbraw/zinc/17/23/16/780172316.db2.gz BGAOJNRTUHPIBP-SFHVURJKSA-N 0 1 299.418 2.533 20 30 CFEDMN C#CCCN1C[C@@H]2C[C@H]1CN2C(=O)c1ccc(C(C)C)cc1 ZINC001032748733 780177867 /nfs/dbraw/zinc/17/78/67/780177867.db2.gz DAHCGIUHAUTBDD-ROUUACIJSA-N 0 1 296.414 2.732 20 30 CFEDMN Cn1ccc2ccc(-c3cc4[nH]cnc4c(C#N)n3)cc21 ZINC001240570304 780263543 /nfs/dbraw/zinc/26/35/43/780263543.db2.gz KNPKMMHMUKYVMU-UHFFFAOYSA-N 0 1 273.299 2.988 20 30 CFEDMN C=CCCN1C[C@@H]2C[C@H]1CN2C(=O)c1ccoc1C(C)C ZINC001032812070 780282940 /nfs/dbraw/zinc/28/29/40/780282940.db2.gz YWCXNHZMCDHBEU-KBPBESRZSA-N 0 1 288.391 2.878 20 30 CFEDMN N#Cc1c[nH]c2ccnc(-c3cnn([C@H]4CCCCO4)c3)c12 ZINC001240673871 780348322 /nfs/dbraw/zinc/34/83/22/780348322.db2.gz FBIOQMCJZOXNBM-CQSZACIVSA-N 0 1 293.330 2.997 20 30 CFEDMN C=C(C)CCC(=O)NCCNCc1cc(C)ccc1F ZINC001128408718 780427765 /nfs/dbraw/zinc/42/77/65/780427765.db2.gz BNUMOEPEXOXVFF-UHFFFAOYSA-N 0 1 278.371 2.696 20 30 CFEDMN C=CCN1CC[C@@H](NC(=O)[C@@]2(C)CCC(C)=C(C)C2)C1 ZINC001016375447 780432093 /nfs/dbraw/zinc/43/20/93/780432093.db2.gz WUHFNPNNXCKWSY-WBVHZDCISA-N 0 1 276.424 2.890 20 30 CFEDMN C=C(C)CN1C[C@]2(CC1=O)CCCCN2Cc1ccoc1 ZINC001272982667 780438508 /nfs/dbraw/zinc/43/85/08/780438508.db2.gz FCWVFQMOJAJGNJ-QGZVFWFLSA-N 0 1 288.391 2.813 20 30 CFEDMN Cc1ccc(F)cc1-c1cc2[nH]cnc2c(C#N)n1 ZINC001240916729 780519041 /nfs/dbraw/zinc/51/90/41/780519041.db2.gz KJPJHVPVTCPQBS-UHFFFAOYSA-N 0 1 252.252 2.944 20 30 CFEDMN C=C(C)CN1CC(C)(C)CC[C@H]1CNC(=O)C(C)(F)F ZINC001098850333 780556827 /nfs/dbraw/zinc/55/68/27/780556827.db2.gz UQKHTPSKPBVAQY-LBPRGKRZSA-N 0 1 288.382 2.825 20 30 CFEDMN CC(C)(C)N1CC[C@H]1CNc1nc(Cl)c(C#N)s1 ZINC000690314728 780567439 /nfs/dbraw/zinc/56/74/39/780567439.db2.gz MTGINKFMWTYVNX-QMMMGPOBSA-N 0 1 284.816 2.953 20 30 CFEDMN C=CCCC(=O)NCC1(NCc2ncc(C)s2)CCC1 ZINC001273055452 780571991 /nfs/dbraw/zinc/57/19/91/780571991.db2.gz JWNFAUZIBBGENM-UHFFFAOYSA-N 0 1 293.436 2.546 20 30 CFEDMN N#Cc1ccc(F)c(CN2CCN(C3CCC3)CC2)c1F ZINC001143165297 780594079 /nfs/dbraw/zinc/59/40/79/780594079.db2.gz YNVPXIGEWZBAPH-UHFFFAOYSA-N 0 1 291.345 2.507 20 30 CFEDMN C=CCN1CC[C@@H](N(C)C(=O)[C@H]2CCCc3ccccc32)C1 ZINC001033186048 780608560 /nfs/dbraw/zinc/60/85/60/780608560.db2.gz RTHONDSAXHCFLL-AEFFLSMTSA-N 0 1 298.430 2.825 20 30 CFEDMN COc1cc(C#N)nc(-c2c(F)cc(O)cc2F)c1 ZINC001241118150 780646332 /nfs/dbraw/zinc/64/63/32/780646332.db2.gz JOPKYXLFJZFFSN-UHFFFAOYSA-N 0 1 262.215 2.613 20 30 CFEDMN C=CCN1CC[C@@H](N(C)C(=O)Cc2cc3ccccc3o2)C1 ZINC001033315635 780647813 /nfs/dbraw/zinc/64/78/13/780647813.db2.gz OAVNWYZGIGBKGL-OAHLLOKOSA-N 0 1 298.386 2.694 20 30 CFEDMN C=CCN1CC[C@@H](N(C)C(=O)c2c(C)cc(F)cc2C)C1 ZINC001033320473 780651051 /nfs/dbraw/zinc/65/10/51/780651051.db2.gz JWZPUSCBQLIQSK-OAHLLOKOSA-N 0 1 290.382 2.775 20 30 CFEDMN C=C(C)CN1CC[C@@H](N(C)C(=O)c2nc(Cl)cs2)C1 ZINC001033369894 780667096 /nfs/dbraw/zinc/66/70/96/780667096.db2.gz OKRKVRKFFMFLIF-SNVBAGLBSA-N 0 1 299.827 2.519 20 30 CFEDMN C=CCN1CC[C@H](N(C)C(=O)[C@@H](C)c2cccs2)C1 ZINC001033415603 780676638 /nfs/dbraw/zinc/67/66/38/780676638.db2.gz GDMLODCXUUROJY-STQMWFEESA-N 0 1 278.421 2.570 20 30 CFEDMN C=C(C)C[N@@H+]1CC[C@H](N(C)C(=O)c2cccc3[nH]ccc32)C1 ZINC001033441271 780681723 /nfs/dbraw/zinc/68/17/23/780681723.db2.gz WRECKBBXXAMZKI-AWEZNQCLSA-N 0 1 297.402 2.890 20 30 CFEDMN C=CCN1CC[C@H](N(C)C(=O)[C@H]2[C@@H]3CCCCCC[C@@H]32)C1 ZINC001033446015 780683106 /nfs/dbraw/zinc/68/31/06/780683106.db2.gz DHPLSNGKJDSGPM-MWDXBVQZSA-N 0 1 290.451 2.922 20 30 CFEDMN C=CCN1CC[C@H](N(C)C(=O)c2cc(F)cc(Cl)c2)C1 ZINC001033446812 780684940 /nfs/dbraw/zinc/68/49/40/780684940.db2.gz NFSLAQXMOQGRGU-AWEZNQCLSA-N 0 1 296.773 2.811 20 30 CFEDMN C=CC[N@@H+]1CC[C@@H](N(C)C(=O)c2ccc3cc[nH]c3c2)C1 ZINC001033456692 780687409 /nfs/dbraw/zinc/68/74/09/780687409.db2.gz YEXJSQAOBNNKDD-OAHLLOKOSA-N 0 1 283.375 2.500 20 30 CFEDMN C=CCN1CC[C@@H](N(C)C(=O)c2ccc3cc[nH]c3c2)C1 ZINC001033456692 780687416 /nfs/dbraw/zinc/68/74/16/780687416.db2.gz YEXJSQAOBNNKDD-OAHLLOKOSA-N 0 1 283.375 2.500 20 30 CFEDMN CC#CCN1CC[C@@H](N(C)C(=O)CC2CCCCCC2)C1 ZINC001033461221 780688894 /nfs/dbraw/zinc/68/88/94/780688894.db2.gz XVNQDBQRZSCESH-QGZVFWFLSA-N 0 1 290.451 2.903 20 30 CFEDMN C=CCN1CC[C@@H](N(C)C(=O)[C@H](C)c2ccccc2F)C1 ZINC001033512971 780699118 /nfs/dbraw/zinc/69/91/18/780699118.db2.gz NNBSWRBVNVLCSX-ZIAGYGMSSA-N 0 1 290.382 2.648 20 30 CFEDMN C#CCN1CC[C@@H](N(C)C(=O)c2cccc3ccsc32)C1 ZINC001033556513 780713145 /nfs/dbraw/zinc/71/31/45/780713145.db2.gz BZCAPENSCIQTAY-CQSZACIVSA-N 0 1 298.411 2.681 20 30 CFEDMN C=C(C)CN1CC[C@H](N(C)C(=O)c2csc(Cl)n2)C1 ZINC001033557762 780713481 /nfs/dbraw/zinc/71/34/81/780713481.db2.gz NZIWJOXTSLGZML-JTQLQIEISA-N 0 1 299.827 2.519 20 30 CFEDMN CC#CCN1CC[C@H](N(C)C(=O)[C@@H](C)c2ccc(C)cc2)C1 ZINC001033589166 780720326 /nfs/dbraw/zinc/72/03/26/780720326.db2.gz JLITVOWVSJZVRA-WMZOPIPTSA-N 0 1 298.430 2.655 20 30 CFEDMN C=CCN1CC[C@H](N(C)C(=O)[C@H](C)c2ccc(C)cc2)C1 ZINC001033590147 780721562 /nfs/dbraw/zinc/72/15/62/780721562.db2.gz NRAUMAPQCIRFLB-WBVHZDCISA-N 0 1 286.419 2.817 20 30 CFEDMN C=CCN1CC[C@H](N(C)C(=O)[C@H](C)c2ccccc2)C1 ZINC001033595872 780721711 /nfs/dbraw/zinc/72/17/11/780721711.db2.gz HTSZAZZTYAIMGX-ZBFHGGJFSA-N 0 1 272.392 2.509 20 30 CFEDMN CC#CCN1CC[C@@H](N(C)C(=O)c2ccc(Cl)cc2)C1 ZINC001033603744 780726026 /nfs/dbraw/zinc/72/60/26/780726026.db2.gz OLBLQKCGPJYZRL-OAHLLOKOSA-N 0 1 290.794 2.510 20 30 CFEDMN C=CCN1CC[C@H](N(C)C(=O)C2CCC(C3CC3)CC2)C1 ZINC001033622886 780732320 /nfs/dbraw/zinc/73/23/20/780732320.db2.gz BDARSVGCNWLQSU-JCYILVPMSA-N 0 1 290.451 2.922 20 30 CFEDMN C=CCN1CC[C@@H](N(C)C(=O)c2c(C)cc(C)cc2C)C1 ZINC001033641458 780740567 /nfs/dbraw/zinc/74/05/67/780740567.db2.gz DZVAPLRSNGYUJU-MRXNPFEDSA-N 0 1 286.419 2.944 20 30 CFEDMN CC#CCN1CC[C@@H](N(C)C(=O)c2c(C)cc(C)cc2C)C1 ZINC001033642556 780740720 /nfs/dbraw/zinc/74/07/20/780740720.db2.gz QDEPHLJVDROEOI-QGZVFWFLSA-N 0 1 298.430 2.781 20 30 CFEDMN C=CCN1CC[C@@H](N(C)C(=O)[C@H](C)c2cccc(F)c2)C1 ZINC001033679197 780746942 /nfs/dbraw/zinc/74/69/42/780746942.db2.gz JWLBOEBUGBSBTE-CZUORRHYSA-N 0 1 290.382 2.648 20 30 CFEDMN C=CCN1CC[C@H](N(C)C(=O)c2cccc(C3CC3)c2)C1 ZINC001033693324 780750419 /nfs/dbraw/zinc/75/04/19/780750419.db2.gz SLRDBRBSKFANFK-KRWDZBQOSA-N 0 1 284.403 2.896 20 30 CFEDMN CC#CCN1CC[C@@H](N(C)C(=O)[C@@H]2CCCC(C)(C)C2)C1 ZINC001033697459 780752396 /nfs/dbraw/zinc/75/23/96/780752396.db2.gz VVAUQXOJZFQHHY-HZPDHXFCSA-N 0 1 290.451 2.759 20 30 CFEDMN C=CCN1CC[C@H](N(C)C(=O)C2CC(C(C)(C)C)C2)C1 ZINC001033705222 780756745 /nfs/dbraw/zinc/75/67/45/780756745.db2.gz QREOJVXKTSCRFB-NRXISQOPSA-N 0 1 278.440 2.777 20 30 CFEDMN C#CCN1CC[C@H](N(C)C(=O)C[C@H]2CCCCC2(C)C)C1 ZINC001033711183 780758497 /nfs/dbraw/zinc/75/84/97/780758497.db2.gz MWVZXNRHORCIDV-CVEARBPZSA-N 0 1 290.451 2.759 20 30 CFEDMN C=CCN1CC[C@@H](N(C)C(=O)C2(c3ccccc3C)CC2)C1 ZINC001033712932 780760662 /nfs/dbraw/zinc/76/06/62/780760662.db2.gz MRIZERSCWNONDM-MRXNPFEDSA-N 0 1 298.430 2.745 20 30 CFEDMN C=C(C)CN1CC[C@@H](N(CC)C(=O)c2scnc2C)C1 ZINC001033765975 780782221 /nfs/dbraw/zinc/78/22/21/780782221.db2.gz UAZOGSVFVVKGSH-CYBMUJFWSA-N 0 1 293.436 2.564 20 30 CFEDMN CN1CC=C(c2cc(OC(F)F)ccc2C#N)CC1 ZINC001241330041 780785112 /nfs/dbraw/zinc/78/51/12/780785112.db2.gz GOBVOWUSLYFOHW-UHFFFAOYSA-N 0 1 264.275 2.879 20 30 CFEDMN C[S@@](=O)c1ccccc1-c1nccc2[nH]cc(C#N)c21 ZINC001241339220 780794089 /nfs/dbraw/zinc/79/40/89/780794089.db2.gz YVINTQNFCBBKNE-HXUWFJFHSA-N 0 1 281.340 2.839 20 30 CFEDMN C=CCN1CC[C@@H](N(CC)C(=O)c2ccn(CC)c2C)C1 ZINC001033932626 780828823 /nfs/dbraw/zinc/82/88/23/780828823.db2.gz QICBIERDGCKOOX-OAHLLOKOSA-N 0 1 289.423 2.539 20 30 CFEDMN C=C(C)C[N@@H+]1CC[C@H](N(CC)C(=O)c2cc(C)co2)C1 ZINC001033930929 780830044 /nfs/dbraw/zinc/83/00/44/780830044.db2.gz AMRGAUAKVSTYAQ-AWEZNQCLSA-N 0 1 276.380 2.701 20 30 CFEDMN C=C(C)CN1CC[C@H](N(CC)C(=O)c2cc(C)co2)C1 ZINC001033930929 780830049 /nfs/dbraw/zinc/83/00/49/780830049.db2.gz AMRGAUAKVSTYAQ-AWEZNQCLSA-N 0 1 276.380 2.701 20 30 CFEDMN C=CCN1CC[C@H](N(CC)C(=O)C2CCC(F)CC2)C1 ZINC001033951559 780835768 /nfs/dbraw/zinc/83/57/68/780835768.db2.gz XGKAKZKSLGWXEE-NRXISQOPSA-N 0 1 282.403 2.624 20 30 CFEDMN Cc1noc(C)c1CNCc1ccc(C)c(C#N)c1 ZINC000701821740 780840848 /nfs/dbraw/zinc/84/08/48/780840848.db2.gz AYQATNGEBYCQOS-UHFFFAOYSA-N 0 1 255.321 2.761 20 30 CFEDMN C#CCC[N@@H+]1CC[C@@H](N(CC)C(=O)c2ccc(C=C)cc2)C1 ZINC001033970491 780842653 /nfs/dbraw/zinc/84/26/53/780842653.db2.gz XWWCZOZJCVPMMG-GOSISDBHSA-N 0 1 296.414 2.889 20 30 CFEDMN N#Cc1nc(-c2ccc(-n3cccn3)cc2)cc2[nH]cnc21 ZINC001241389792 780842782 /nfs/dbraw/zinc/84/27/82/780842782.db2.gz GWZIWEAFBJOXJU-UHFFFAOYSA-N 0 1 286.298 2.682 20 30 CFEDMN C=CCN1CC[C@@H](N(CC)C(=O)c2cccc3[nH]ccc32)C1 ZINC001033962711 780845384 /nfs/dbraw/zinc/84/53/84/780845384.db2.gz YKLYIOHDHJOUCP-CQSZACIVSA-N 0 1 297.402 2.890 20 30 CFEDMN C=CCN1CC[C@H](N(CC)C(=O)[C@@H]2C[C@H]2CC(C)C)C1 ZINC001033961089 780846067 /nfs/dbraw/zinc/84/60/67/780846067.db2.gz OOCHLXOPHOYFCR-OWCLPIDISA-N 0 1 278.440 2.777 20 30 CFEDMN Cc1ccc(CNCc2ccc(C)c(C#N)c2)nc1 ZINC000701872854 780847424 /nfs/dbraw/zinc/84/74/24/780847424.db2.gz ZKDUCVHHDPNGEZ-UHFFFAOYSA-N 0 1 251.333 2.860 20 30 CFEDMN C=CCN1CC[C@@H](N(CC)C(=O)c2csc(Cl)n2)C1 ZINC001034009750 780853710 /nfs/dbraw/zinc/85/37/10/780853710.db2.gz RBOXCVJTBKRPRO-SNVBAGLBSA-N 0 1 299.827 2.519 20 30 CFEDMN C#CCN1CC[C@H](N(CC)C(=O)c2cccc(C(C)C)c2)C1 ZINC001034006707 780856426 /nfs/dbraw/zinc/85/64/26/780856426.db2.gz CVRXAUQGNRILHO-SFHVURJKSA-N 0 1 298.430 2.980 20 30 CFEDMN C=CCN1CC[C@H](N(CC)C(=O)c2ccc(F)cc2C)C1 ZINC001034028590 780859618 /nfs/dbraw/zinc/85/96/18/780859618.db2.gz HJMNLSQBJIQAJB-HNNXBMFYSA-N 0 1 290.382 2.857 20 30 CFEDMN CC#CCN1CCCC[C@@H](NC(=O)c2cccc(C)c2)C1 ZINC001034082560 780882477 /nfs/dbraw/zinc/88/24/77/780882477.db2.gz KEIHSWGEDILDPU-QGZVFWFLSA-N 0 1 284.403 2.603 20 30 CFEDMN C#C[C@@H](NCc1ccc([N+](=O)[O-])cc1F)C(C)(C)C ZINC000702224305 780901117 /nfs/dbraw/zinc/90/11/17/780901117.db2.gz NQPXOHMEQUNCHU-CYBMUJFWSA-N 0 1 264.300 2.871 20 30 CFEDMN CC#CCN1CCCC[C@H](NC(=O)C(C)=C2CCCC2)C1 ZINC001034157068 780904915 /nfs/dbraw/zinc/90/49/15/780904915.db2.gz XPHSVKXDKXBKNS-KRWDZBQOSA-N 0 1 288.435 2.871 20 30 CFEDMN C#CCN1CCCC[C@H](NC(=O)[C@@H]2CCCC3(CC3)C2)C1 ZINC001034203271 780920149 /nfs/dbraw/zinc/92/01/49/780920149.db2.gz CVPDVRNGIWKVJE-CVEARBPZSA-N 0 1 288.435 2.561 20 30 CFEDMN C=CCN1CCCC[C@@H](NC(=O)c2c(C)coc2C)C1 ZINC001034193967 780921711 /nfs/dbraw/zinc/92/17/11/780921711.db2.gz KIPNWQJYFVNUFF-CQSZACIVSA-N 0 1 276.380 2.667 20 30 CFEDMN C#CCN1CCCC[C@@H](NC(=O)C2(C)CCCCCC2)C1 ZINC001034251672 780933660 /nfs/dbraw/zinc/93/36/60/780933660.db2.gz YAHNVAPWFMEOIJ-MRXNPFEDSA-N 0 1 290.451 2.951 20 30 CFEDMN C=C(C)C[N@H+]1CCCC[C@@H](NC(=O)C2(F)CCCC2)C1 ZINC001034279828 780938355 /nfs/dbraw/zinc/93/83/55/780938355.db2.gz PUTUSWCFCKNWPQ-CQSZACIVSA-N 0 1 282.403 2.816 20 30 CFEDMN CC#CCN1CCCC[C@@H](NC(=O)CC2CC(C)(C)C2)C1 ZINC001034361946 780957732 /nfs/dbraw/zinc/95/77/32/780957732.db2.gz VLLBQDWLLHSJPZ-MRXNPFEDSA-N 0 1 290.451 2.807 20 30 CFEDMN C#CCN1CCCC[C@H](NC(=O)C2(C)CCCCC2)C1 ZINC001034387442 780962450 /nfs/dbraw/zinc/96/24/50/780962450.db2.gz ZHDWHPWXZJIGIM-HNNXBMFYSA-N 0 1 276.424 2.561 20 30 CFEDMN CC#CCN1CCCC[C@@H](NC(=O)C2CCC(F)CC2)C1 ZINC001034387342 780962513 /nfs/dbraw/zinc/96/25/13/780962513.db2.gz NMSXWCUIIRCZSN-UYSNPLJNSA-N 0 1 294.414 2.509 20 30 CFEDMN C#CCN1CCCC[C@@H](NC(=O)[C@@H](C)c2cccc(C)c2)C1 ZINC001034416285 780970923 /nfs/dbraw/zinc/97/09/23/780970923.db2.gz MYBLWJMZABKUEC-FUHWJXTLSA-N 0 1 298.430 2.702 20 30 CFEDMN C=CCN1CCCC[C@H](NC(=O)c2ncoc2C(C)C)C1 ZINC001034476458 780979010 /nfs/dbraw/zinc/97/90/10/780979010.db2.gz IBAQEPJPXHWCKL-ZDUSSCGKSA-N 0 1 291.395 2.568 20 30 CFEDMN C=CCN1CCCC[C@@H](NC(=O)c2ncoc2C(C)C)C1 ZINC001034476457 780979745 /nfs/dbraw/zinc/97/97/45/780979745.db2.gz IBAQEPJPXHWCKL-CYBMUJFWSA-N 0 1 291.395 2.568 20 30 CFEDMN CC#CCN1CCCC[C@H](NC(=O)[C@H]2CC23CCCC3)C1 ZINC001034477827 780980330 /nfs/dbraw/zinc/98/03/30/780980330.db2.gz QPKRJSFWJHQMSR-JKSUJKDBSA-N 0 1 288.435 2.561 20 30 CFEDMN CC#CCN1CCCC[C@H](NC(=O)C2(F)CCCCC2)C1 ZINC001034472130 780982566 /nfs/dbraw/zinc/98/25/66/780982566.db2.gz QPEQXTVKNBOBDB-HNNXBMFYSA-N 0 1 294.414 2.653 20 30 CFEDMN C=CCN1CCCC[C@@H](NC(=O)c2ncccc2Cl)C1 ZINC001034497272 780983980 /nfs/dbraw/zinc/98/39/80/780983980.db2.gz QRYSPJLUSHRREU-GFCCVEGCSA-N 0 1 293.798 2.505 20 30 CFEDMN C#CCN1CCCC[C@@H](NC(=O)c2cc(C)ccc2C)C1 ZINC001034502090 780986871 /nfs/dbraw/zinc/98/68/71/780986871.db2.gz CQEGWSNFZWFNED-MRXNPFEDSA-N 0 1 284.403 2.521 20 30 CFEDMN C=C(Cl)CN[C@H]1CCN(C)[C@@H]1c1ccc(F)cc1 ZINC001117935807 781021461 /nfs/dbraw/zinc/02/14/61/781021461.db2.gz CWWSRTNRHZRVSC-UONOGXRCSA-N 0 1 268.763 2.913 20 30 CFEDMN Cc1[nH]nc2cc(-c3ncc(F)cc3C#N)ccc12 ZINC001241636283 781034598 /nfs/dbraw/zinc/03/45/98/781034598.db2.gz CMYIOKUFRGAIML-UHFFFAOYSA-N 0 1 252.252 2.944 20 30 CFEDMN C=C(Cl)CNCCNC(=O)CC1(c2ccccc2)CC1 ZINC001129002456 781058532 /nfs/dbraw/zinc/05/85/32/781058532.db2.gz LOAXRPJDSYZHFX-UHFFFAOYSA-N 0 1 292.810 2.567 20 30 CFEDMN Cc1[nH]nc2ccc(-c3nccc(C#N)c3F)cc12 ZINC001241667179 781060376 /nfs/dbraw/zinc/06/03/76/781060376.db2.gz YSQQZONLMCCLNK-UHFFFAOYSA-N 0 1 252.252 2.944 20 30 CFEDMN CSc1ncc(C#N)c(-c2ccc3[nH]cnc3c2)n1 ZINC001241685761 781071688 /nfs/dbraw/zinc/07/16/88/781071688.db2.gz PUNVDBZBCBUGMN-UHFFFAOYSA-N 0 1 267.317 2.613 20 30 CFEDMN CC(C)CC1(C(=O)NCCNCC#Cc2ccccc2)CC1 ZINC001129061132 781109179 /nfs/dbraw/zinc/10/91/79/781109179.db2.gz MEWXGCPFYIUIBU-UHFFFAOYSA-N 0 1 298.430 2.570 20 30 CFEDMN CC#CCN1CC2(C1)CCN(C(=O)c1ccccc1C)CC2 ZINC001035638563 781153731 /nfs/dbraw/zinc/15/37/31/781153731.db2.gz RTHZNGULWIRCDJ-UHFFFAOYSA-N 0 1 296.414 2.556 20 30 CFEDMN C=CCN1CC2(C1)CCN(C(=O)c1sccc1F)CC2 ZINC001035697068 781159115 /nfs/dbraw/zinc/15/91/15/781159115.db2.gz PSRWZQQFVFMMMK-UHFFFAOYSA-N 0 1 294.395 2.611 20 30 CFEDMN C=CCN1CC2(C1)CCN(C(=O)[C@@H]1CCC[C@H](C)C1)CC2 ZINC001035781558 781168015 /nfs/dbraw/zinc/16/80/15/781168015.db2.gz PZMOBWZTRCLDLU-JKSUJKDBSA-N 0 1 290.451 2.923 20 30 CFEDMN CCOC(=O)c1nc2cc(-c3cccnc3C#N)ccc2[nH]1 ZINC001242313274 781391189 /nfs/dbraw/zinc/39/11/89/781391189.db2.gz ZMCGKKVHJAVTEZ-UHFFFAOYSA-N 0 1 292.298 2.673 20 30 CFEDMN C[C@@H](CO)[C@@H]1CCCCN1Cc1ccc(F)cc1C#N ZINC000711304991 781406993 /nfs/dbraw/zinc/40/69/93/781406993.db2.gz WXFPNUOUHXXFPV-LRDDRELGSA-N 0 1 276.355 2.680 20 30 CFEDMN Cc1cccc(-c2ncc3c(c2C#N)CCC[NH2+]C3)c1[O-] ZINC001242343508 781416421 /nfs/dbraw/zinc/41/64/21/781416421.db2.gz VUTCXBQQHBZEBV-UHFFFAOYSA-N 0 1 279.343 2.670 20 30 CFEDMN C=CC[C@@H]1CC[N@H+](Cc2cc(C(=O)[O-])cs2)C1 ZINC000711416067 781428876 /nfs/dbraw/zinc/42/88/76/781428876.db2.gz IYYYZNLGEKMWCV-SNVBAGLBSA-N 0 1 251.351 2.844 20 30 CFEDMN Cc1cc(C#N)cc(-c2cc3[nH]nnc3cc2F)c1 ZINC001242479114 781532787 /nfs/dbraw/zinc/53/27/87/781532787.db2.gz UGEJJESRJTUQLC-UHFFFAOYSA-N 0 1 252.252 2.944 20 30 CFEDMN COCOc1ccc(-c2cc3[nH]cnc3c(C#N)n2)c(C)c1 ZINC001242535455 781577011 /nfs/dbraw/zinc/57/70/11/781577011.db2.gz UZINUIMASFAIGA-UHFFFAOYSA-N 0 1 294.314 2.788 20 30 CFEDMN COc1cc(F)c(F)cc1-c1cc2[nH]cnc2c(C#N)n1 ZINC001242575434 781610473 /nfs/dbraw/zinc/61/04/73/781610473.db2.gz CVJQAYFPQCPUHF-UHFFFAOYSA-N 0 1 286.241 2.783 20 30 CFEDMN CC(C)(O)c1ccc(-c2cc3[nH]cnc3c(C#N)n2)cc1 ZINC001242622446 781651961 /nfs/dbraw/zinc/65/19/61/781651961.db2.gz CUCUBBPDEQGANR-UHFFFAOYSA-N 0 1 278.315 2.724 20 30 CFEDMN C=CCN1C[C@@H](C)[C@H](NC(=O)c2ccc(C=C)cc2)C1 ZINC001080490520 781663120 /nfs/dbraw/zinc/66/31/20/781663120.db2.gz YAMYWWHWDWMZJP-CZUORRHYSA-N 0 1 270.376 2.566 20 30 CFEDMN CC#CCN1C[C@@H](C)[C@H](NC(=O)[C@H](C)c2cccc(C)c2)C1 ZINC001080527872 781668134 /nfs/dbraw/zinc/66/81/34/781668134.db2.gz BOHZJAPAIXJZLK-JFIYKMOQSA-N 0 1 298.430 2.558 20 30 CFEDMN C=C(C)CN1C[C@@H](C)[C@H](NC(=O)C2(F)CCCCC2)C1 ZINC001080720181 781677342 /nfs/dbraw/zinc/67/73/42/781677342.db2.gz LXODZSKBPNQXEB-ZIAGYGMSSA-N 0 1 282.403 2.671 20 30 CFEDMN C=CCN1C[C@@H](C)[C@H](NC(=O)[C@@]2(C)CC=C(C)CC2)C1 ZINC001080979274 781688486 /nfs/dbraw/zinc/68/84/86/781688486.db2.gz IOCFXRSUVVMBFI-INMHGKMJSA-N 0 1 276.424 2.745 20 30 CFEDMN CC#CCN1C[C@@H](C)[C@H](NC(=O)c2coc3ccccc23)C1 ZINC001081040573 781694859 /nfs/dbraw/zinc/69/48/59/781694859.db2.gz KJEMYCKNXLJJII-CZUORRHYSA-N 0 1 296.370 2.506 20 30 CFEDMN C[C@H]1CC(=O)C=C(c2ccc(N3CCN(C)CC3)cc2)C1 ZINC001242740199 781732676 /nfs/dbraw/zinc/73/26/76/781732676.db2.gz AAMIVSORHBMEAX-CQSZACIVSA-N 0 1 284.403 2.821 20 30 CFEDMN C#CCN1CC(C)(C)CC[C@H]1CNC(=O)CCC(C)C ZINC001098895037 781757559 /nfs/dbraw/zinc/75/75/59/781757559.db2.gz PSQHVDVDFPAALW-HNNXBMFYSA-N 0 1 278.440 2.663 20 30 CFEDMN C=CCN1CC[C@@H]2CN(C(=O)CC(C)(C)C3CC3)[C@@H]2C1 ZINC001084326690 781788692 /nfs/dbraw/zinc/78/86/92/781788692.db2.gz TUCKGRUYJWOZIS-UKRRQHHQSA-N 0 1 276.424 2.531 20 30 CFEDMN C=C(C)CN1CC[C@@H]2CN(C(=O)c3occc3Cl)[C@@H]2C1 ZINC001084638262 781814865 /nfs/dbraw/zinc/81/48/65/781814865.db2.gz XDGNOYVWEIVHFV-DGCLKSJQSA-N 0 1 294.782 2.655 20 30 CFEDMN C=CC[N@@H+]1CC[C@@H]2CN(C(=O)[C@@H](C)c3ccccc3)[C@@H]2C1 ZINC001084779970 781834233 /nfs/dbraw/zinc/83/42/33/781834233.db2.gz JESGHLPDSCLGES-USXIJHARSA-N 0 1 284.403 2.509 20 30 CFEDMN C=CCN1CC[C@@H]2CN(C(=O)[C@@H](C)c3ccccc3)[C@@H]2C1 ZINC001084779970 781834244 /nfs/dbraw/zinc/83/42/44/781834244.db2.gz JESGHLPDSCLGES-USXIJHARSA-N 0 1 284.403 2.509 20 30 CFEDMN C=CCN1CC[C@@H]2CN(C(=O)C[C@@H](C)c3ccccc3)[C@@H]2C1 ZINC001084813236 781842147 /nfs/dbraw/zinc/84/21/47/781842147.db2.gz STWDTZSMSKWKKD-KBAYOESNSA-N 0 1 298.430 2.899 20 30 CFEDMN C=CCN1CC[C@@H]2CN(C(=O)[C@@H](C)Cc3ccccc3)[C@@H]2C1 ZINC001084845532 781845536 /nfs/dbraw/zinc/84/55/36/781845536.db2.gz UNDIMNWKEOOOKH-CGTJXYLNSA-N 0 1 298.430 2.584 20 30 CFEDMN COc1ncc(-c2cc3[nH]cnc3c(C#N)n2)cc1Cl ZINC001242931211 781854613 /nfs/dbraw/zinc/85/46/13/781854613.db2.gz QTPRIJPVWVBVKE-UHFFFAOYSA-N 0 1 285.694 2.554 20 30 CFEDMN N#CCC[C@@H](C#N)CNC[C@H]1CCC2(CCCC2)O1 ZINC000594554434 349446627 /nfs/dbraw/zinc/44/66/27/349446627.db2.gz QVHFFMCAHLRQKS-UONOGXRCSA-N 0 1 261.369 2.511 20 30 CFEDMN N#CC1(Cc2nc([C@H]3CCCN3)no2)CCCCC1 ZINC000594685306 349473834 /nfs/dbraw/zinc/47/38/34/349473834.db2.gz ULULHBHJSOTIAK-LLVKDONJSA-N 0 1 260.341 2.511 20 30 CFEDMN CCCn1nccc1CN[C@@H]1CCc2cc(C#N)ccc21 ZINC000594937328 349518515 /nfs/dbraw/zinc/51/85/15/349518515.db2.gz HZMKGCDXHZETKB-QGZVFWFLSA-N 0 1 280.375 2.942 20 30 CFEDMN N#Cc1ccc(CNCc2cccnc2N2CCCC2)cc1 ZINC000594955775 349528021 /nfs/dbraw/zinc/52/80/21/349528021.db2.gz AVNFQGURTQZQMX-UHFFFAOYSA-N 0 1 292.386 2.843 20 30 CFEDMN COc1cc(CN[C@@H](c2ccccc2)[C@@H](C)O)ccc1C#N ZINC000595007638 349546604 /nfs/dbraw/zinc/54/66/04/349546604.db2.gz PGNDWGSQQDCMSO-FZKQIMNGSA-N 0 1 296.370 2.779 20 30 CFEDMN N#Cc1csc(CN[C@@H]2[C@H]3Cc4cc(F)ccc4[C@@H]23)n1 ZINC000594996613 349541977 /nfs/dbraw/zinc/54/19/77/349541977.db2.gz UBMIBUYETVBSCM-NWANDNLSSA-N 0 1 285.347 2.582 20 30 CFEDMN CCn1nccc1CN[C@@H](C)c1ccc(C#N)cc1 ZINC000125163977 187172808 /nfs/dbraw/zinc/17/28/08/187172808.db2.gz WLVSAKPWPPCNDE-LBPRGKRZSA-N 0 1 254.337 2.625 20 30 CFEDMN C=CCCSCCN[C@@H](c1cccs1)c1nnc[nH]1 ZINC000595058330 349569455 /nfs/dbraw/zinc/56/94/55/349569455.db2.gz HSRYIZFSKZWINT-LBPRGKRZSA-N 0 1 294.449 2.855 20 30 CFEDMN C=C[C@@H]1OCC[C@H]1N[C@@H](C)c1ccc([N+](=O)[O-])cc1OC ZINC000595041664 349561046 /nfs/dbraw/zinc/56/10/46/349561046.db2.gz NVCCJAXMDSYUNP-GDLCADMTSA-N 0 1 292.335 2.598 20 30 CFEDMN CCN(CC)C(=O)C[C@@H](C)NCC1(C#N)CCCCC1 ZINC000595097020 349580124 /nfs/dbraw/zinc/58/01/24/349580124.db2.gz FYEUEMZZBODKNN-CQSZACIVSA-N 0 1 279.428 2.697 20 30 CFEDMN CC[C@@H](C)Oc1cc(C(=O)[C@@H](C#N)c2ccncn2)ccn1 ZINC000354464917 529379950 /nfs/dbraw/zinc/37/99/50/529379950.db2.gz LENFRXGNJHKVIX-YPMHNXCESA-N 0 1 296.330 2.539 20 30 CFEDMN CC[C@@H](C)Oc1cc(C(=O)C(C#N)c2ccncn2)ccn1 ZINC000354464917 529379954 /nfs/dbraw/zinc/37/99/54/529379954.db2.gz LENFRXGNJHKVIX-YPMHNXCESA-N 0 1 296.330 2.539 20 30 CFEDMN CCN1CCN([C@@H](C#N)c2ccc(Cl)cc2)C[C@H]1C ZINC000595387156 349613489 /nfs/dbraw/zinc/61/34/89/349613489.db2.gz ADBIRWOTQPBKSM-DOMZBBRYSA-N 0 1 277.799 2.931 20 30 CFEDMN N#CCCN1CCN(Cc2ccc(C3CC3)cc2)CC1 ZINC000595391403 349615336 /nfs/dbraw/zinc/61/53/36/349615336.db2.gz KFKSHRGGLQMPSJ-UHFFFAOYSA-N 0 1 269.392 2.595 20 30 CFEDMN CCc1n[nH]c(C2CCN([C@H](C#N)c3ccccc3)CC2)n1 ZINC000595456931 349632941 /nfs/dbraw/zinc/63/29/41/349632941.db2.gz ZDSRQWTZZJBFFQ-OAHLLOKOSA-N 0 1 295.390 2.811 20 30 CFEDMN CCc1nnc(C2CCN([C@H](C#N)c3ccccc3)CC2)[nH]1 ZINC000595456931 349632945 /nfs/dbraw/zinc/63/29/45/349632945.db2.gz ZDSRQWTZZJBFFQ-OAHLLOKOSA-N 0 1 295.390 2.811 20 30 CFEDMN CC(C)(C)c1cccc(CN2CC[C@](O)(CC#N)C2)c1 ZINC000595559498 349659592 /nfs/dbraw/zinc/65/95/92/349659592.db2.gz TVGNROHIJMLYRC-QGZVFWFLSA-N 0 1 272.392 2.835 20 30 CFEDMN C[C@H](C(=O)N1[C@H](C)CCC[C@@H]1C)N1CCC[C@H](CC#N)C1 ZINC000595609795 349674730 /nfs/dbraw/zinc/67/47/30/349674730.db2.gz PBPVVOIPJBIWOU-QKPAOTATSA-N 0 1 291.439 2.790 20 30 CFEDMN N#CC[C@H]1CCCN(CCCn2c3ccccc3[nH]c2=O)C1 ZINC000595614924 349677839 /nfs/dbraw/zinc/67/78/39/349677839.db2.gz JPZKRAWEPVLGAI-CQSZACIVSA-N 0 1 298.390 2.758 20 30 CFEDMN CC(C)(C#N)CCC[N@H+]1CCO[C@](C)(C2CC2)C1 ZINC000595618282 349678939 /nfs/dbraw/zinc/67/89/39/349678939.db2.gz NDNDTLGLLZGHQO-HNNXBMFYSA-N 0 1 250.386 2.817 20 30 CFEDMN N#CC[C@@H]1CCCN(CCOCC(F)(F)C(F)F)C1 ZINC000595622648 349680693 /nfs/dbraw/zinc/68/06/93/349680693.db2.gz CEQXFIHEZGZVFS-JTQLQIEISA-N 0 1 282.281 2.529 20 30 CFEDMN C[C@@]1(C2CC2)CN(CCc2ccc(C#N)cc2)CCO1 ZINC000595625363 349682003 /nfs/dbraw/zinc/68/20/03/349682003.db2.gz MCYMROKFJVPXPG-KRWDZBQOSA-N 0 1 270.376 2.602 20 30 CFEDMN C=CCN(Cc1ccc([N+](=O)[O-])cc1)[C@@H](C)COC ZINC000595644144 349687623 /nfs/dbraw/zinc/68/76/23/349687623.db2.gz ALDAJVWRDRVMET-LBPRGKRZSA-N 0 1 264.325 2.618 20 30 CFEDMN Cc1cc(CNC(C)(C)c2cccc(C#N)c2)ncn1 ZINC000595633758 349683474 /nfs/dbraw/zinc/68/34/74/349683474.db2.gz YQVQQSQRGGZXOD-UHFFFAOYSA-N 0 1 266.348 2.682 20 30 CFEDMN CCC[C@@H](C)N1CCN(c2ccsc2C#N)CC1 ZINC000595629871 349684127 /nfs/dbraw/zinc/68/41/27/349684127.db2.gz OJHAQUVDTKTGFB-GFCCVEGCSA-N 0 1 263.410 2.930 20 30 CFEDMN N#CCCN[C@]1(Cc2ccc(Cl)cc2)CCCOC1 ZINC000595670700 349695725 /nfs/dbraw/zinc/69/57/25/349695725.db2.gz JFMRJXONHXDJEA-HNNXBMFYSA-N 0 1 278.783 2.935 20 30 CFEDMN C[C@H]1CCC[N@@H+](Cc2cn3ccccc3c2C#N)[C@H]1CCO ZINC000595698608 349707823 /nfs/dbraw/zinc/70/78/23/349707823.db2.gz NGQFPSUDWCTPIR-YOEHRIQHSA-N 0 1 297.402 2.794 20 30 CFEDMN CC[C@@]1(O)CCN(Cc2ccc(C#N)cc2OC(F)F)C1 ZINC000425923486 529574666 /nfs/dbraw/zinc/57/46/66/529574666.db2.gz GGEWLGPHURYHKL-OAHLLOKOSA-N 0 1 296.317 2.506 20 30 CFEDMN N#Cc1c(CN2CC[C@@H]3C[C@@H]3C2)cn2ccccc12 ZINC000595810031 349737852 /nfs/dbraw/zinc/73/78/52/349737852.db2.gz VXPONFSUADWQKQ-CHWSQXEVSA-N 0 1 251.333 2.653 20 30 CFEDMN C=CCN(CC(=O)Nc1oc(C)c(C)c1C#N)C(C)(C)C ZINC000595763990 349726398 /nfs/dbraw/zinc/72/63/98/349726398.db2.gz VAFJQWDTJPXHBX-UHFFFAOYSA-N 0 1 289.379 2.993 20 30 CFEDMN COc1ccc(C#N)cc1CN1CC[C@@H](C)O[C@@H](C)C1 ZINC000595782431 349731886 /nfs/dbraw/zinc/73/18/86/349731886.db2.gz ZQVOYKYWZSIJEI-OLZOCXBDSA-N 0 1 274.364 2.566 20 30 CFEDMN N#Cc1ccc(CC[N@@H+]2CCC[C@@H](CCC(=O)[O-])C2)cc1 ZINC000595879512 349759428 /nfs/dbraw/zinc/75/94/28/349759428.db2.gz SFDZQWXWNBVFGJ-INIZCTEOSA-N 0 1 286.375 2.678 20 30 CFEDMN N#Cc1ccccc1OCCN1CCC(c2ccon2)CC1 ZINC000595833815 349747240 /nfs/dbraw/zinc/74/72/40/349747240.db2.gz NYUMAPSURLONFZ-UHFFFAOYSA-N 0 1 297.358 2.805 20 30 CFEDMN C=C1C[C@H]2CC[C@@H](C1)N2Cc1ccoc1C(=O)OC ZINC000595842785 349752860 /nfs/dbraw/zinc/75/28/60/349752860.db2.gz VDTVQTHNCBUMRF-BETUJISGSA-N 0 1 261.321 2.749 20 30 CFEDMN COC(=O)[C@H]1C[C@@H](N(C)CC#Cc2ccc(Cl)cc2)C1 ZINC000595847301 349754133 /nfs/dbraw/zinc/75/41/33/349754133.db2.gz CYGAZRAYAPSNDC-OTVXOJSOSA-N 0 1 291.778 2.575 20 30 CFEDMN C=C(C)CN1CCC[C@@H](c2ncc(C(=O)OC)s2)C1 ZINC000595921044 349770046 /nfs/dbraw/zinc/77/00/46/349770046.db2.gz RZZDYPRKUKFWKY-LLVKDONJSA-N 0 1 280.393 2.685 20 30 CFEDMN CC(C)(C)OC(=O)C1(CNC[C@H](C#N)CCC#N)CCC1 ZINC000596070735 349786224 /nfs/dbraw/zinc/78/62/24/349786224.db2.gz SUOZTQGALWXJKL-ZDUSSCGKSA-N 0 1 291.395 2.532 20 30 CFEDMN CCc1cnccc1[C@H](C)NC(=O)[C@H]1CCc2[nH]nnc2C1 ZINC000329006216 529678455 /nfs/dbraw/zinc/67/84/55/529678455.db2.gz YYJXFLPPBGXNAV-JQWIXIFHSA-N 0 1 299.378 2.585 20 30 CFEDMN CCc1cnccc1[C@H](C)NC(=O)[C@H]1CCc2nn[nH]c2C1 ZINC000329006216 529678456 /nfs/dbraw/zinc/67/84/56/529678456.db2.gz YYJXFLPPBGXNAV-JQWIXIFHSA-N 0 1 299.378 2.585 20 30 CFEDMN Cc1ncsc1NC(=O)[C@@H]1CCCc2[nH]ncc21 ZINC000329547435 282234954 /nfs/dbraw/zinc/23/49/54/282234954.db2.gz DRRKCTAKGYNKCQ-MRVPVSSYSA-N 0 1 262.338 2.883 20 30 CFEDMN CC(C)CC[C@](C)(O)CNc1nc(C#N)c(Cl)s1 ZINC000596144972 349808163 /nfs/dbraw/zinc/80/81/63/349808163.db2.gz JPTBHABWQBGEMH-LBPRGKRZSA-N 0 1 287.816 2.689 20 30 CFEDMN COC1(CNc2nc(C#N)c(Cl)s2)CCCCC1 ZINC000596196412 349824961 /nfs/dbraw/zinc/82/49/61/349824961.db2.gz NIXIJASRWJCLRI-UHFFFAOYSA-N 0 1 285.800 2.851 20 30 CFEDMN CC1(C)CCC[C@@](O)(CNc2nc(C#N)c(Cl)s2)C1 ZINC000596203161 349825772 /nfs/dbraw/zinc/82/57/72/349825772.db2.gz MTKVLBNYLJHJAB-ZDUSSCGKSA-N 0 1 299.827 2.833 20 30 CFEDMN CCOC1(CNc2nc(C#N)c(Cl)s2)CCCC1 ZINC000596244791 349839106 /nfs/dbraw/zinc/83/91/06/349839106.db2.gz TVJMNOJMTZGBLR-UHFFFAOYSA-N 0 1 285.800 2.851 20 30 CFEDMN C[C@@H]1CN(c2nc(C#N)c(Cl)s2)CC[N@H+](C2CC2)C1 ZINC000596255032 349841845 /nfs/dbraw/zinc/84/18/45/349841845.db2.gz IROHCUXBJQLNJJ-VIFPVBQESA-N 0 1 296.827 2.589 20 30 CFEDMN Cc1nsc(NC[C@H]2CCN2C(C)(C)C)c1C#N ZINC000596308753 349859475 /nfs/dbraw/zinc/85/94/75/349859475.db2.gz NFUILBRTUJCWAG-SNVBAGLBSA-N 0 1 264.398 2.608 20 30 CFEDMN CN(CC(C)(C)C#N)C(=O)c1cc(-c2cccs2)[nH]n1 ZINC000353190301 529842777 /nfs/dbraw/zinc/84/27/77/529842777.db2.gz ZFRKRHITGCYBFB-UHFFFAOYSA-N 0 1 288.376 2.760 20 30 CFEDMN CN(CC1CCCCC1)C([O-])=[NH+][C@H]1CCn2ccnc2C1 ZINC000330201347 529864173 /nfs/dbraw/zinc/86/41/73/529864173.db2.gz XQOXQJVSARTFAJ-AWEZNQCLSA-N 0 1 290.411 2.624 20 30 CFEDMN CCCn1cc(CNCc2ccc(CC#N)cc2)cn1 ZINC000573606295 334951482 /nfs/dbraw/zinc/95/14/82/334951482.db2.gz OZWVTCYFDATFOJ-UHFFFAOYSA-N 0 1 268.364 2.649 20 30 CFEDMN N#CCSCCCN1CCOc2ccccc2C1 ZINC000074982034 347046555 /nfs/dbraw/zinc/04/65/55/347046555.db2.gz GRERIFJGXREVKV-UHFFFAOYSA-N 0 1 262.378 2.528 20 30 CFEDMN CO[C@@H](CNc1nc(C#N)c(Cl)s1)C1CCCC1 ZINC000596526743 349930424 /nfs/dbraw/zinc/93/04/24/349930424.db2.gz GJUXYBBANTUPBT-JTQLQIEISA-N 0 1 285.800 2.707 20 30 CFEDMN N#Cc1cnc(NC[C@@H]2CCN2Cc2ccccc2)c(F)c1 ZINC000596559467 349941954 /nfs/dbraw/zinc/94/19/54/349941954.db2.gz ZDOSLEUHGOGKTC-HNNXBMFYSA-N 0 1 296.349 2.779 20 30 CFEDMN Cc1cc([C@@H]2CCCN(C(=O)N[C@@H]3CC3(C)C)C2)n[nH]1 ZINC000328807733 539533784 /nfs/dbraw/zinc/53/37/84/539533784.db2.gz NRWWRPXASKIQAV-DGCLKSJQSA-N 0 1 276.384 2.610 20 30 CFEDMN C[C@H](N(C)CC(=O)Nc1sccc1C#N)C(C)(C)C ZINC000027133189 346268117 /nfs/dbraw/zinc/26/81/17/346268117.db2.gz FPKDIJIZHKNHFO-JTQLQIEISA-N 0 1 279.409 2.925 20 30 CFEDMN CCC[C@H](C)N(C)CC(=O)Nc1sccc1C#N ZINC000030269675 346287450 /nfs/dbraw/zinc/28/74/50/346287450.db2.gz PWABITXTSORPBE-JTQLQIEISA-N 0 1 265.382 2.679 20 30 CFEDMN CCCCNC(=O)[C@@H]1CCCN(Cc2ccccc2C#N)C1 ZINC000051061182 346499242 /nfs/dbraw/zinc/49/92/42/346499242.db2.gz JDNLAEXGGANESO-QGZVFWFLSA-N 0 1 299.418 2.687 20 30 CFEDMN CC(C)(C)CCN1CCN(C(=O)c2ccc(C#N)cc2)CC1 ZINC000056042872 346602616 /nfs/dbraw/zinc/60/26/16/346602616.db2.gz NFNXZRMZBMXBNB-UHFFFAOYSA-N 0 1 299.418 2.752 20 30 CFEDMN C=C(C)CN(CC)CC(=O)NCc1ccc(C)cc1 ZINC000057847908 346638725 /nfs/dbraw/zinc/63/87/25/346638725.db2.gz UMCRXIIFRVIIKX-UHFFFAOYSA-N 0 1 260.381 2.509 20 30 CFEDMN Cc1ccc(-c2n[nH]c(NC(=O)COC(C)C)n2)cc1 ZINC000063702600 346707437 /nfs/dbraw/zinc/70/74/37/346707437.db2.gz APFZWYSZMVFQLZ-UHFFFAOYSA-N 0 1 274.324 2.793 20 30 CFEDMN C[C@H](C#N)CN(C)CCCOCCc1ccccc1 ZINC000066471018 346764008 /nfs/dbraw/zinc/76/40/08/346764008.db2.gz WFUTYCLDNBLMOQ-OAHLLOKOSA-N 0 1 260.381 2.727 20 30 CFEDMN CN(CC(=O)Nc1nc(-c2ccco2)n[nH]1)c1ccccc1 ZINC000066044108 346746776 /nfs/dbraw/zinc/74/67/76/346746776.db2.gz PFLHFEBQQJRNSD-UHFFFAOYSA-N 0 1 297.318 2.789 20 30 CFEDMN C=CCCN1CCN(C(=O)Cc2cccc(Cl)c2)CC1 ZINC000075915601 347109289 /nfs/dbraw/zinc/10/92/89/347109289.db2.gz FHPZHEDZMBAZHN-UHFFFAOYSA-N 0 1 292.810 2.603 20 30 CFEDMN C[C@H](C(=O)N(C)CCC#N)N1CCC[C@@H]1c1ccsc1 ZINC000076989461 347163477 /nfs/dbraw/zinc/16/34/77/347163477.db2.gz FJQRBIPIURIMAJ-TZMCWYRMSA-N 0 1 291.420 2.646 20 30 CFEDMN C=C(Cl)CNC(=O)NC[C@@H](c1ccco1)N(CC)CC ZINC000077574608 347200692 /nfs/dbraw/zinc/20/06/92/347200692.db2.gz BYSZOCDRCMDWGK-LBPRGKRZSA-N 0 1 299.802 2.714 20 30 CFEDMN C[C@H](c1ccc(C#N)cc1)N1CC[C@](O)(C(F)(F)F)C1 ZINC000081065188 347402728 /nfs/dbraw/zinc/40/27/28/347402728.db2.gz WAVVUUXDCQQWDA-ZWNOBZJWSA-N 0 1 284.281 2.618 20 30 CFEDMN CCCCN1CCN([C@H](C#N)c2ccccc2)CC1 ZINC000080905918 347385025 /nfs/dbraw/zinc/38/50/25/347385025.db2.gz DQJWHNRZMWNNAJ-MRXNPFEDSA-N 0 1 257.381 2.669 20 30 CFEDMN CC(C)(C#N)CCCN1CCN(c2ncccc2F)CC1 ZINC000090632065 347553332 /nfs/dbraw/zinc/55/33/32/347553332.db2.gz HMTQASDOAGRHRT-UHFFFAOYSA-N 0 1 290.386 2.673 20 30 CFEDMN C=CCOc1ccc(CN2CCC[C@H]2CO)cc1Cl ZINC000092455584 347625848 /nfs/dbraw/zinc/62/58/48/347625848.db2.gz AMQYCUOSFDJBES-ZDUSSCGKSA-N 0 1 281.783 2.862 20 30 CFEDMN CC(C)N1CCCN(c2snc(Cl)c2C#N)CC1 ZINC000092649626 347636700 /nfs/dbraw/zinc/63/67/00/347636700.db2.gz QZZSXGXFZWOHEV-UHFFFAOYSA-N 0 1 284.816 2.589 20 30 CFEDMN N#CCCCN1CC[C@H](Oc2ccc(C(F)(F)F)cn2)C1 ZINC000093319664 347669077 /nfs/dbraw/zinc/66/90/77/347669077.db2.gz LFJCMOIINVPTHW-LBPRGKRZSA-N 0 1 299.296 2.857 20 30 CFEDMN Cc1cc(OCC(=O)Nc2ccc(C#N)cc2)cc(C)n1 ZINC000128208084 347849071 /nfs/dbraw/zinc/84/90/71/347849071.db2.gz HJZPFPTZNANOJZ-UHFFFAOYSA-N 0 1 281.315 2.588 20 30 CFEDMN O=C(NO)[C@@H]1CCCC[C@@H]1c1nc2ccc(Cl)cc2[nH]1 ZINC000671996960 539578610 /nfs/dbraw/zinc/57/86/10/539578610.db2.gz XEFLTMXWJNUDEU-VHSXEESVSA-N 0 1 293.754 2.996 20 30 CFEDMN N#Cc1csc(CN[C@@H]2CC(=O)N(c3ccccc3)C2)c1 ZINC000177691362 348117327 /nfs/dbraw/zinc/11/73/27/348117327.db2.gz ADWWIOLYQPQHEC-CYBMUJFWSA-N 0 1 297.383 2.515 20 30 CFEDMN N#C[C@@H]1CC[C@@H](Sc2nc(-c3ccccn3)n[nH]2)C1 ZINC000278643777 348339001 /nfs/dbraw/zinc/33/90/01/348339001.db2.gz VMDGFXJJPJNZBU-NXEZZACHSA-N 0 1 271.349 2.651 20 30 CFEDMN C=C[C@H](Sc1nc2ccc(C)cc2[nH]1)C(=O)OC ZINC000305938467 348383074 /nfs/dbraw/zinc/38/30/74/348383074.db2.gz ATEZCNNBSIBIMH-NSHDSACASA-N 0 1 262.334 2.691 20 30 CFEDMN CCN(Cc1ccc(C#N)cc1F)[C@H]1CCCOC1 ZINC000311254413 348412555 /nfs/dbraw/zinc/41/25/55/348412555.db2.gz SSEJHJQRXPSOSJ-AWEZNQCLSA-N 0 1 262.328 2.698 20 30 CFEDMN COc1cc(CN[C@](C)(CO)c2ccccc2)ccc1C#N ZINC000318485045 348434221 /nfs/dbraw/zinc/43/42/21/348434221.db2.gz WCWKUQFUVMIVDS-GOSISDBHSA-N 0 1 296.370 2.564 20 30 CFEDMN Cc1ccc2nc([C@@H]3CCCN3C(=O)[C@H](C)C#N)[nH]c2c1 ZINC000335999125 348450344 /nfs/dbraw/zinc/45/03/44/348450344.db2.gz QHKAOFFWTIFZGW-RISCZKNCSA-N 0 1 282.347 2.695 20 30 CFEDMN C[C@@H](C(=O)NC1(C#N)CCCCC1)N1CCC2(CC2)CC1 ZINC000366693630 348513411 /nfs/dbraw/zinc/51/34/11/348513411.db2.gz YLFVYVNADXEPJT-AWEZNQCLSA-N 0 1 289.423 2.594 20 30 CFEDMN COc1cc(CN2CCC[C@H](OC(C)C)C2)ccc1C#N ZINC000404701358 348594298 /nfs/dbraw/zinc/59/42/98/348594298.db2.gz NLIHLPLMFHOKSR-INIZCTEOSA-N 0 1 288.391 2.956 20 30 CFEDMN COc1ccc(OC)c(CN2CCC[C@@H](CC#N)C2)c1 ZINC000397794600 348564211 /nfs/dbraw/zinc/56/42/11/348564211.db2.gz QQYJOEZGDBNRFQ-ZDUSSCGKSA-N 0 1 274.364 2.829 20 30 CFEDMN COc1ccc(OC)c(CN2CCC[C@H](CC#N)C2)c1 ZINC000397794595 348564268 /nfs/dbraw/zinc/56/42/68/348564268.db2.gz QQYJOEZGDBNRFQ-CYBMUJFWSA-N 0 1 274.364 2.829 20 30 CFEDMN C=CCC[C@@H](O)CN[C@H](COCC(C)C)c1ccco1 ZINC000273466637 192162864 /nfs/dbraw/zinc/16/28/64/192162864.db2.gz DYLXKCBRWAXSMT-HUUCEWRRSA-N 0 1 281.396 2.910 20 30 CFEDMN C#C[C@H](C)N(C)Cc1cc(CC=C)c(O)c(OC)c1 ZINC000491632698 348629328 /nfs/dbraw/zinc/62/93/28/348629328.db2.gz QEVNELSFLGOVKV-LBPRGKRZSA-N 0 1 259.349 2.583 20 30 CFEDMN CN(CC(=O)N[C@](C)(C#N)C1CC1)C(C)(C)c1ccccc1 ZINC000585754291 348742791 /nfs/dbraw/zinc/74/27/91/348742791.db2.gz FRILWBVFEZEPLI-GOSISDBHSA-N 0 1 299.418 2.662 20 30 CFEDMN N#CCCCCCC(=O)Nc1ccc2nc[nH]c2c1 ZINC000589833830 348859627 /nfs/dbraw/zinc/85/96/27/348859627.db2.gz NTOYYMIDVYBNSF-UHFFFAOYSA-N 0 1 256.309 2.975 20 30 CFEDMN CCN1CCN(c2c(C#N)cnc3ccc(C)cc32)C[C@@H]1C ZINC000589864908 348861973 /nfs/dbraw/zinc/86/19/73/348861973.db2.gz KDILOCWBTSWXMM-AWEZNQCLSA-N 0 1 294.402 2.945 20 30 CFEDMN CCN(CC)Cc1ccc(C(=O)N(C)CC(C)(C)C#N)o1 ZINC000590493431 348906629 /nfs/dbraw/zinc/90/66/29/348906629.db2.gz ZQQGMVRHCUBNRX-UHFFFAOYSA-N 0 1 291.395 2.743 20 30 CFEDMN CCN1CCN(c2cccc(C(F)F)c2C#N)CC1 ZINC000590569076 348910130 /nfs/dbraw/zinc/91/01/30/348910130.db2.gz KPLVKAVDBGPEEZ-UHFFFAOYSA-N 0 1 265.307 2.638 20 30 CFEDMN C=CCC[C@H](NCc1[nH]nc2ccccc21)C(=O)OCC ZINC000590661498 348924146 /nfs/dbraw/zinc/92/41/46/348924146.db2.gz CIBDXFYBYLGVOC-AWEZNQCLSA-N 0 1 287.363 2.550 20 30 CFEDMN Cc1ccc(-c2n[nH]c(NC(=O)CC3(C#N)CC3)c2C)o1 ZINC000590680711 348927933 /nfs/dbraw/zinc/92/79/33/348927933.db2.gz HMSZPNHKMMBJMB-UHFFFAOYSA-N 0 1 284.319 2.919 20 30 CFEDMN N#Cc1ccc(NC(=O)CN2CC[C@@H](C3CCC3)C2)cc1 ZINC000591062204 348983259 /nfs/dbraw/zinc/98/32/59/348983259.db2.gz XKMRCBSEAFVFKM-OAHLLOKOSA-N 0 1 283.375 2.619 20 30 CFEDMN O=C(N[C@@H]1CC[C@H](F)C1)[C@@H]1CCCc2[nH]ncc21 ZINC000329331921 539695478 /nfs/dbraw/zinc/69/54/78/539695478.db2.gz MPSCJMYWWMZXCE-IVZWLZJFSA-N 0 1 251.305 2.677 20 30 CFEDMN N#C[C@@H]1CC[C@H](N=c2nc(-c3ccccc3)[nH]s2)C1 ZINC000591826507 349048845 /nfs/dbraw/zinc/04/88/45/349048845.db2.gz LAEYJHJWSLCRMW-PWSUYJOCSA-N 0 1 270.361 2.731 20 30 CFEDMN CCc1ncc(CN[C@H]2CCc3cc(C#N)ccc32)cn1 ZINC000591260496 349004069 /nfs/dbraw/zinc/00/40/69/349004069.db2.gz MOMPDTYOAZWULF-INIZCTEOSA-N 0 1 278.359 2.688 20 30 CFEDMN C[C@H](NCc1ccncc1C#N)[C@@H]1Oc2ccccc2[C@@H]1C ZINC000592103304 349083194 /nfs/dbraw/zinc/08/31/94/349083194.db2.gz GCCILFBGDXPSMC-ZJNRKIDTSA-N 0 1 293.370 2.996 20 30 CFEDMN CC(C)O[C@H]1C[C@@H](NCc2ccncc2C#N)C1(C)C ZINC000592124798 349086783 /nfs/dbraw/zinc/08/67/83/349086783.db2.gz HIXLKMQBDMYQQF-CABCVRRESA-N 0 1 273.380 2.635 20 30 CFEDMN N#Cc1cnccc1CN1CC[C@H](C2CCCC2)C1 ZINC000592124728 349087133 /nfs/dbraw/zinc/08/71/33/349087133.db2.gz LIAOKBUWHMJGFK-HNNXBMFYSA-N 0 1 255.365 2.965 20 30 CFEDMN C=CCN(Cc1ccccc1[N+](=O)[O-])[C@H]1CC[C@H](O)CC1 ZINC000592130297 349089465 /nfs/dbraw/zinc/08/94/65/349089465.db2.gz AWGPYHULYQHAAK-SHTZXODSSA-N 0 1 290.363 2.886 20 30 CFEDMN Cc1sc(NC(=O)CN(C)C(C)(C)C)c(C#N)c1C ZINC000592180047 349095325 /nfs/dbraw/zinc/09/53/25/349095325.db2.gz GQEUJYCYVPLDGM-UHFFFAOYSA-N 0 1 279.409 2.905 20 30 CFEDMN CCc1nocc1CNCc1ccc(CC#N)cc1 ZINC000592370549 349110701 /nfs/dbraw/zinc/11/07/01/349110701.db2.gz OUSXDKIRHQBLPK-UHFFFAOYSA-N 0 1 255.321 2.593 20 30 CFEDMN CC(C)Cn1nccc1CN1CCC(CC#N)CC1 ZINC000592507637 349129671 /nfs/dbraw/zinc/12/96/71/349129671.db2.gz VRJGVXSEHHRDMI-UHFFFAOYSA-N 0 1 260.385 2.665 20 30 CFEDMN Cc1cc(CN2CC[C@](O)(CC#N)C2)ccc1C(F)(F)F ZINC000592526383 349134841 /nfs/dbraw/zinc/13/48/41/349134841.db2.gz YJYDPIKATQUINF-CQSZACIVSA-N 0 1 298.308 2.864 20 30 CFEDMN CCN(CC)Cc1ccc(C(=O)N[C@](C)(C#N)C(C)C)o1 ZINC000592793926 349167481 /nfs/dbraw/zinc/16/74/81/349167481.db2.gz DKQAAYUFLBJSQE-MRXNPFEDSA-N 0 1 291.395 2.789 20 30 CFEDMN CC[C@H](N[C@H](C)C(=O)N(C)CCC#N)c1ccccc1F ZINC000593065127 349200528 /nfs/dbraw/zinc/20/05/28/349200528.db2.gz UHCZKKDCDLTEJT-DOMZBBRYSA-N 0 1 291.370 2.627 20 30 CFEDMN CC[C@H](C)C(=O)NC1CCN(Cc2cccc(C#N)c2)CC1 ZINC000593356192 349251613 /nfs/dbraw/zinc/25/16/13/349251613.db2.gz UJSSCPVGSNJQGS-AWEZNQCLSA-N 0 1 299.418 2.685 20 30 CFEDMN CC[C@@H](C)C(=O)NC1CCN(Cc2cccc(C#N)c2)CC1 ZINC000593356193 349252489 /nfs/dbraw/zinc/25/24/89/349252489.db2.gz UJSSCPVGSNJQGS-CQSZACIVSA-N 0 1 299.418 2.685 20 30 CFEDMN CC[C@H](C#N)C(=O)Nc1ccc2nc([C@H]3CCCO3)[nH]c2c1 ZINC000593424169 349267243 /nfs/dbraw/zinc/26/72/43/349267243.db2.gz BDZZGMLUCMKYMQ-QMTHXVAHSA-N 0 1 298.346 2.903 20 30 CFEDMN CC[C@H](C#N)C(=O)N1CCN(Cc2ccccc2)CC[C@H]1C ZINC000593500225 349285730 /nfs/dbraw/zinc/28/57/30/349285730.db2.gz MXENXOHKIAEXBA-NVXWUHKLSA-N 0 1 299.418 2.659 20 30 CFEDMN CC(C)[C@H](C)NC(=O)CNC1(c2ccc(C#N)cc2)CCC1 ZINC000594032979 349358095 /nfs/dbraw/zinc/35/80/95/349358095.db2.gz UHSFDGQTGSCBAT-AWEZNQCLSA-N 0 1 299.418 2.688 20 30 CFEDMN CN(C)[C@@H](CNC(=O)CCCCC#N)c1ccc(F)cc1 ZINC000594240733 349398659 /nfs/dbraw/zinc/39/86/59/349398659.db2.gz WRAYDVKREMRZBV-HNNXBMFYSA-N 0 1 291.370 2.629 20 30 CFEDMN CCOC(=O)CCN(Cc1ccc(C#N)cc1F)C(C)C ZINC000594048847 349363432 /nfs/dbraw/zinc/36/34/32/349363432.db2.gz KJMAJFZUBXSNOJ-UHFFFAOYSA-N 0 1 292.354 2.861 20 30 CFEDMN C[C@H](O)CN(Cc1ccc(C#N)cc1OC(F)F)C1CC1 ZINC000594065538 349367818 /nfs/dbraw/zinc/36/78/18/349367818.db2.gz SCSNEZVBWHJKBA-JTQLQIEISA-N 0 1 296.317 2.505 20 30 CFEDMN CCc1ccc([C@@H]2CNCCN2C(=O)CCCCC#N)cc1 ZINC000594444561 349423470 /nfs/dbraw/zinc/42/34/70/349423470.db2.gz TXSRKTQSFNVIOR-KRWDZBQOSA-N 0 1 299.418 2.806 20 30 CFEDMN Cn1cc(CNCc2ccc(C(C)(C)C#N)cc2)cn1 ZINC000594496371 349429976 /nfs/dbraw/zinc/42/99/76/349429976.db2.gz LRFQZGVNIYPHMX-UHFFFAOYSA-N 0 1 268.364 2.511 20 30 CFEDMN CCCN(CC(=O)N(C)C)Cc1ccc(C2(C#N)CC2)cc1 ZINC000596992681 350013692 /nfs/dbraw/zinc/01/36/92/350013692.db2.gz YPIRPRMHPXVLPI-UHFFFAOYSA-N 0 1 299.418 2.542 20 30 CFEDMN COCCc1ccc(OC[C@@H](C)NCC(C)(C)C#N)cc1 ZINC000597082203 350026603 /nfs/dbraw/zinc/02/66/03/350026603.db2.gz GYKANXWCRAMYQI-CQSZACIVSA-N 0 1 290.407 2.782 20 30 CFEDMN COC(=O)c1oc(CNCc2ccc(CC#N)cc2)cc1C ZINC000597154032 350040335 /nfs/dbraw/zinc/04/03/35/350040335.db2.gz LEEHVOGVRWJYNW-UHFFFAOYSA-N 0 1 298.342 2.731 20 30 CFEDMN CSC1(CN2CCN(c3ccsc3C#N)CC2)CC1 ZINC000597182520 350046356 /nfs/dbraw/zinc/04/63/56/350046356.db2.gz CYXSBHHHTCVKSP-UHFFFAOYSA-N 0 1 293.461 2.637 20 30 CFEDMN N#C[C@H]1CCCC[C@@H]1NCc1ccc2[nH]cnc2c1 ZINC000597199230 350053115 /nfs/dbraw/zinc/05/31/15/350053115.db2.gz SXZDTYIZVWOYBF-OLZOCXBDSA-N 0 1 254.337 2.735 20 30 CFEDMN N#C[C@H]1CCCC[C@@H]1NCc1ccc2nc[nH]c2c1 ZINC000597199230 350053121 /nfs/dbraw/zinc/05/31/21/350053121.db2.gz SXZDTYIZVWOYBF-OLZOCXBDSA-N 0 1 254.337 2.735 20 30 CFEDMN C[C@]1(C#N)CCN(C[C@H]2CCOc3ccccc32)C1 ZINC000597232906 350066668 /nfs/dbraw/zinc/06/66/68/350066668.db2.gz YDJGHOBFHNVKKN-CZUORRHYSA-N 0 1 256.349 2.788 20 30 CFEDMN C[C@@H](CC#N)C(=O)Nc1cc(Cl)c(O)cc1F ZINC000597651848 350120203 /nfs/dbraw/zinc/12/02/03/350120203.db2.gz NSZXJIBCUKQLBW-LURJTMIESA-N 0 1 256.664 2.673 20 30 CFEDMN C=CC[C@@H]1CCCN(C(=O)c2cc(O)cc([N+](=O)[O-])c2)C1 ZINC000597996982 350175744 /nfs/dbraw/zinc/17/57/44/350175744.db2.gz CNBOWFZYKDTUFT-LLVKDONJSA-N 0 1 290.319 2.729 20 30 CFEDMN CCN(CC)Cc1ccc(C(=O)N([C@@H](C)C#N)C2CC2)o1 ZINC000598131006 350204686 /nfs/dbraw/zinc/20/46/86/350204686.db2.gz VZWVLHOYGFBZEB-LBPRGKRZSA-N 0 1 289.379 2.638 20 30 CFEDMN CCCCCc1cc(C(=O)N([C@H](C)C#N)C2CC2)n[nH]1 ZINC000598140843 350209480 /nfs/dbraw/zinc/20/94/80/350209480.db2.gz WYEZTTGROKIPAW-LLVKDONJSA-N 0 1 274.368 2.659 20 30 CFEDMN CCN(C(=O)c1cccc(C(F)(F)F)c1O)[C@H](C)C#N ZINC000598348065 350242352 /nfs/dbraw/zinc/24/23/52/350242352.db2.gz COGIWLUFMODVOT-MRVPVSSYSA-N 0 1 286.253 2.785 20 30 CFEDMN CCCCCc1cc(C(=O)N(CC)[C@@H](C)C#N)n[nH]1 ZINC000598348666 350242970 /nfs/dbraw/zinc/24/29/70/350242970.db2.gz HIVKGDMXXPOEEK-NSHDSACASA-N 0 1 262.357 2.517 20 30 CFEDMN C=CCOc1ccc(CN2CCC[C@@H](OC)C2)cc1OC ZINC000091772597 180249569 /nfs/dbraw/zinc/24/95/69/180249569.db2.gz JMAGRTKKQFMBKA-OAHLLOKOSA-N 0 1 291.391 2.871 20 30 CFEDMN CC(C)(C#N)C[C@H](O)CN1CC(C)(C)[C@@H]1c1ccncc1 ZINC000598628969 350297529 /nfs/dbraw/zinc/29/75/29/350297529.db2.gz WDSXGTGDLRPJCW-GJZGRUSLSA-N 0 1 287.407 2.765 20 30 CFEDMN CC1(C)CC[C@@H](CO)N(Cc2ccc(C#N)cc2F)C1 ZINC000598647283 350301174 /nfs/dbraw/zinc/30/11/74/350301174.db2.gz KNFZYUGJYUKADI-AWEZNQCLSA-N 0 1 276.355 2.680 20 30 CFEDMN C[C@H]1CCN(Cc2ccc(C#N)cc2Cl)C[C@@H]1CO ZINC000598649163 350301997 /nfs/dbraw/zinc/30/19/97/350301997.db2.gz WXVNMKHARODATC-SMDDNHRTSA-N 0 1 278.783 2.662 20 30 CFEDMN Cc1[nH]ncc1CCCNC(=O)CC1(C#N)CCCCC1 ZINC000598685036 350309831 /nfs/dbraw/zinc/30/98/31/350309831.db2.gz WQLWZHVFAVDOSV-UHFFFAOYSA-N 0 1 288.395 2.631 20 30 CFEDMN CC(C)(C#N)C[C@H](O)CN1CCc2c(Cl)cccc2C1 ZINC000598591819 350288390 /nfs/dbraw/zinc/28/83/90/350288390.db2.gz CKLIZJMAERKXNK-ZDUSSCGKSA-N 0 1 292.810 2.999 20 30 CFEDMN CC(C)(C#N)C[C@@H](O)CN1CCc2c(Cl)cccc2C1 ZINC000598591811 350288448 /nfs/dbraw/zinc/28/84/48/350288448.db2.gz CKLIZJMAERKXNK-CYBMUJFWSA-N 0 1 292.810 2.999 20 30 CFEDMN CC[C@@](C)(NC[C@@H](O)CC(C)(C)C#N)c1nccs1 ZINC000598594875 350289117 /nfs/dbraw/zinc/28/91/17/350289117.db2.gz FTZJCDVHDFMWRE-SMDDNHRTSA-N 0 1 281.425 2.659 20 30 CFEDMN Cc1ccc(CN2CCC[C@@H]2[C@H](O)C(F)(F)F)cc1C#N ZINC000599287907 350407343 /nfs/dbraw/zinc/40/73/43/350407343.db2.gz ZYHZXQKVNBAZHZ-KGLIPLIRSA-N 0 1 298.308 2.754 20 30 CFEDMN Cc1ccc(CN2CC[C@H](Oc3cccnc3)C2)cc1C#N ZINC000599311207 350412888 /nfs/dbraw/zinc/41/28/88/350412888.db2.gz FQLHDXNAXAVCLA-SFHVURJKSA-N 0 1 293.370 2.915 20 30 CFEDMN Cc1ccc(CN2CCc3ccccc3[C@H]2CO)cc1C#N ZINC000599342371 350418497 /nfs/dbraw/zinc/41/84/97/350418497.db2.gz PIQWWJHBOBTDCA-LJQANCHMSA-N 0 1 292.382 2.958 20 30 CFEDMN N#CC1(C[C@H](O)CN2CC[C@H]2c2ccc(F)cc2)CC1 ZINC000599465764 350441142 /nfs/dbraw/zinc/44/11/42/350441142.db2.gz QPGFQQMZRNULAV-GJZGRUSLSA-N 0 1 274.339 2.627 20 30 CFEDMN CCC#C[C@H](C)N1Cc2ccccc2[C@@H](C(=O)OC)C1 ZINC000599676054 350478290 /nfs/dbraw/zinc/47/82/90/350478290.db2.gz HLJVIZZSWARKLT-BBRMVZONSA-N 0 1 271.360 2.561 20 30 CFEDMN CC(C)COCCN1CCc2c(CC#N)cccc2C1 ZINC000599677895 350479552 /nfs/dbraw/zinc/47/95/52/350479552.db2.gz LYUCDDLEAZNOGW-UHFFFAOYSA-N 0 1 272.392 2.783 20 30 CFEDMN N#CCCOCCNC1(c2c(F)cccc2F)CCC1 ZINC000599695647 350485319 /nfs/dbraw/zinc/48/53/19/350485319.db2.gz DUHIIZYSSFYRIP-UHFFFAOYSA-N 0 1 280.318 2.864 20 30 CFEDMN N#CCCN(Cc1cccc2n[nH]cc21)CC1CC1 ZINC000600117263 350513544 /nfs/dbraw/zinc/51/35/44/350513544.db2.gz JVUGATWUUPWSQT-UHFFFAOYSA-N 0 1 254.337 2.689 20 30 CFEDMN N#CC1(CNC[C@@H](O)Cc2ccccc2)CCCCC1 ZINC000600757290 350606346 /nfs/dbraw/zinc/60/63/46/350606346.db2.gz UBWMUKWUVPVSAN-INIZCTEOSA-N 0 1 272.392 2.654 20 30 CFEDMN N#Cc1ccc(-c2cccc([C@@H]3COCCN3)c2)s1 ZINC000600774939 350608336 /nfs/dbraw/zinc/60/83/36/350608336.db2.gz HPJYZYLFFIIQFX-AWEZNQCLSA-N 0 1 270.357 2.948 20 30 CFEDMN COc1ccc(-c2ccc([C@H]3COCCN3)cc2)c(C#N)c1 ZINC000600790382 350612649 /nfs/dbraw/zinc/61/26/49/350612649.db2.gz KKMGQCWZVATFLC-GOSISDBHSA-N 0 1 294.354 2.895 20 30 CFEDMN COc1ccc(-c2cccc([C@@H]3COCCN3)c2)cc1C#N ZINC000600790458 350612990 /nfs/dbraw/zinc/61/29/90/350612990.db2.gz ZLBCVCSBCBGBQS-KRWDZBQOSA-N 0 1 294.354 2.895 20 30 CFEDMN C[C@H]1C[C@@H](Nc2ncc(C#N)c3ccsc32)C[N@H+]1C1CC1 ZINC000601127868 350676013 /nfs/dbraw/zinc/67/60/13/350676013.db2.gz TUDQWUVCLSLOAP-CMPLNLGQSA-N 0 1 298.415 2.627 20 30 CFEDMN C[C@@H](N[C@@H](C)c1cccc(C#N)c1)[C@H](O)C(F)(F)F ZINC000601301315 350719764 /nfs/dbraw/zinc/71/97/64/350719764.db2.gz YASNHWAEZZJWAQ-SBMIAAHKSA-N 0 1 272.270 2.521 20 30 CFEDMN C[C@@H](N[C@@H](C)c1ccc(C#N)c(F)c1)[C@H](O)C(F)(F)F ZINC000601301291 350719910 /nfs/dbraw/zinc/71/99/10/350719910.db2.gz XHTBETAXQZYEJV-SXMVTHIZSA-N 0 1 290.260 2.660 20 30 CFEDMN N#Cc1ccc(N2N=C3CCC[C@H]3C2=O)cc1Cl ZINC000601946611 350814458 /nfs/dbraw/zinc/81/44/58/350814458.db2.gz DCLNNXIJKCBQKP-SNVBAGLBSA-N 0 1 259.696 2.714 20 30 CFEDMN N#Cc1ccc(-n2[nH]c3c(c2=O)CCC3)cc1Cl ZINC000601946611 350814461 /nfs/dbraw/zinc/81/44/61/350814461.db2.gz DCLNNXIJKCBQKP-SNVBAGLBSA-N 0 1 259.696 2.714 20 30 CFEDMN C[C@H]1CCc2[nH]n(Cc3ccc(C#N)cc3)c(=O)c2C1 ZINC000601947427 350814544 /nfs/dbraw/zinc/81/45/44/350814544.db2.gz RRQNHEPWHMIJRY-FZMZJTMJSA-N 0 1 267.332 2.693 20 30 CFEDMN Cc1[nH]n(-c2ccc(C)c(F)c2)c(=O)c1CCC#N ZINC000601948033 350815288 /nfs/dbraw/zinc/81/52/88/350815288.db2.gz IKGZAGANSQWGLA-GFCCVEGCSA-N 0 1 259.284 2.777 20 30 CFEDMN C[C@H]1CCc2c1[nH]n(-c1ccc(C#N)c(Cl)c1)c2=O ZINC000601950491 350816962 /nfs/dbraw/zinc/81/69/62/350816962.db2.gz UWACFTDMKQCMHT-KWQFWETISA-N 0 1 273.723 2.960 20 30 CFEDMN CC[C@](C)(C#N)C(=O)N[C@H]1CCN(Cc2ccc(C)cc2)C1 ZINC000601880313 350797521 /nfs/dbraw/zinc/79/75/21/350797521.db2.gz FMMJABGUHJWBFW-FUHWJXTLSA-N 0 1 299.418 2.625 20 30 CFEDMN N#Cc1c(F)cccc1CNCC1(CO)CCCCC1 ZINC000602014023 350831407 /nfs/dbraw/zinc/83/14/07/350831407.db2.gz QBYMGWDWFXKTOX-UHFFFAOYSA-N 0 1 276.355 2.730 20 30 CFEDMN Cc1ccc(C[C@H](CO)NCc2cccc(F)c2C#N)cc1 ZINC000602016306 350832052 /nfs/dbraw/zinc/83/20/52/350832052.db2.gz GBCYXGKIOBUSQG-MRXNPFEDSA-N 0 1 298.361 2.699 20 30 CFEDMN CN1CCCC[C@H]1C(=O)N[C@@H](CCC#N)c1ccccc1 ZINC000602128008 350845405 /nfs/dbraw/zinc/84/54/05/350845405.db2.gz HYGYSLGBUBQQQV-HOTGVXAUSA-N 0 1 285.391 2.632 20 30 CFEDMN Cc1[nH]ncc1CN(C)C(=O)C[C@H](CC#N)c1ccccc1 ZINC000602172443 350849230 /nfs/dbraw/zinc/84/92/30/350849230.db2.gz LFYUWFONLIMQCG-HNNXBMFYSA-N 0 1 296.374 2.764 20 30 CFEDMN C=CCSCCNCc1cccc(F)c1C#N ZINC000602003281 350828138 /nfs/dbraw/zinc/82/81/38/350828138.db2.gz SWCNRJILENFDDV-UHFFFAOYSA-N 0 1 250.342 2.706 20 30 CFEDMN CCc1cnc(CN[C@H](C)CC2(C#N)CCOCC2)s1 ZINC000602559937 350924634 /nfs/dbraw/zinc/92/46/34/350924634.db2.gz KJBSOAIBIJUPRA-GFCCVEGCSA-N 0 1 293.436 2.894 20 30 CFEDMN C[C@H](NCc1cccc(C#N)n1)c1ccc([S@](C)=O)cc1 ZINC000602578475 350932011 /nfs/dbraw/zinc/93/20/11/350932011.db2.gz VITKRHGFCZMHND-QKVFXAPYSA-N 0 1 299.399 2.541 20 30 CFEDMN C[C@@H](CCC#N)CN1CCO[C@@H](Cc2ccccc2)C1 ZINC000602586119 350936707 /nfs/dbraw/zinc/93/67/07/350936707.db2.gz ZMCLBJMMTXPRCJ-RDJZCZTQSA-N 0 1 272.392 2.870 20 30 CFEDMN Cc1csc(N2CCN(C[C@@H](C)CCC#N)CC2)n1 ZINC000602439649 350883823 /nfs/dbraw/zinc/88/38/23/350883823.db2.gz PAIYWNTUOFJBBJ-LBPRGKRZSA-N 0 1 278.425 2.513 20 30 CFEDMN CO[C@H](CN(CCC#N)CCC(C)C)C1CCOCC1 ZINC000602464795 350892680 /nfs/dbraw/zinc/89/26/80/350892680.db2.gz GSBPNZRWACBNQW-MRXNPFEDSA-N 0 1 282.428 2.690 20 30 CFEDMN C[C@]1(CNCc2cccc(C#N)n2)OCCc2sccc21 ZINC000602666803 350967926 /nfs/dbraw/zinc/96/79/26/350967926.db2.gz KUFXTNCNZGHRCM-MRXNPFEDSA-N 0 1 299.399 2.592 20 30 CFEDMN N#CC1CCC(NCc2nnc(C3CC3)s2)CC1 ZINC000602690908 350981356 /nfs/dbraw/zinc/98/13/56/350981356.db2.gz ATJMSLVCDYILSL-UHFFFAOYSA-N 0 1 262.382 2.587 20 30 CFEDMN COC(=O)c1cnc([C@H](C)NC2CCC(C#N)CC2)s1 ZINC000602694924 350982587 /nfs/dbraw/zinc/98/25/87/350982587.db2.gz PZVJITLBIJZIBZ-WHXUTIOJSA-N 0 1 293.392 2.663 20 30 CFEDMN C[C@H](CC1(C#N)CCOCC1)NCC1(C#N)CCCC1 ZINC000602701046 350987014 /nfs/dbraw/zinc/98/70/14/350987014.db2.gz ZRVYHHSTUGNBFE-CQSZACIVSA-N 0 1 275.396 2.759 20 30 CFEDMN N#Cc1cccc(CN2CC[C@@H](COc3ccccc3)C2)n1 ZINC000602605764 350942605 /nfs/dbraw/zinc/94/26/05/350942605.db2.gz LIBRFZWYAHKDRA-OAHLLOKOSA-N 0 1 293.370 2.854 20 30 CFEDMN CC1(C#N)CCN(Cc2ccc3nccnc3c2)CC1 ZINC000602607071 350943546 /nfs/dbraw/zinc/94/35/46/350943546.db2.gz REZOQCWFGJSJFU-UHFFFAOYSA-N 0 1 266.348 2.755 20 30 CFEDMN COc1ccc(CN(C)CC2(CC#N)CC2)cc1OC ZINC000602761716 351015786 /nfs/dbraw/zinc/01/57/86/351015786.db2.gz YULLNGYCKFBVQP-UHFFFAOYSA-N 0 1 274.364 2.829 20 30 CFEDMN CC[N@@H+](C[C@H]1CCc2ncnn21)[C@H](C)c1ccc(C#N)cc1 ZINC000602765561 351017158 /nfs/dbraw/zinc/01/71/58/351017158.db2.gz VJDPNHXVSMOAMU-CZUORRHYSA-N 0 1 295.390 2.720 20 30 CFEDMN N#Cc1ccc(C2=CCN(CCc3cnccn3)CC2)cc1 ZINC000602795611 351028620 /nfs/dbraw/zinc/02/86/20/351028620.db2.gz BPIIVTQHUPBPAT-UHFFFAOYSA-N 0 1 290.370 2.680 20 30 CFEDMN CCC[C@]1(C(=O)OCC)CCCN1CC1(CC#N)CC1 ZINC000602818681 351036795 /nfs/dbraw/zinc/03/67/95/351036795.db2.gz MZYUNVVRIBMDAQ-MRXNPFEDSA-N 0 1 278.396 2.878 20 30 CFEDMN C[C@@H]1[C@H](C)N(CCCCC(C)(C)C#N)[C@@H](C)C(=O)N1C ZINC000602846837 351043891 /nfs/dbraw/zinc/04/38/91/351043891.db2.gz HZPJRNGLVZLZTM-RDBSUJKOSA-N 0 1 279.428 2.646 20 30 CFEDMN Cc1nc(-c2ccccc2)oc1CN1CC[C@](O)(CC#N)C1 ZINC000602850932 351045328 /nfs/dbraw/zinc/04/53/28/351045328.db2.gz IMNGSBZXMRJDNH-QGZVFWFLSA-N 0 1 297.358 2.501 20 30 CFEDMN C[C@@H]1CN([C@@H]2CCc3ccc(F)cc32)C[C@@H](C)N1CC#N ZINC000602858428 351046843 /nfs/dbraw/zinc/04/68/43/351046843.db2.gz AXOAPXMGDPAOLN-PBFPGSCMSA-N 0 1 287.382 2.731 20 30 CFEDMN C[C@@H]1CN(C/C=C/c2ccccc2)C[C@H](C)N1CC#N ZINC000602857818 351047156 /nfs/dbraw/zinc/04/71/56/351047156.db2.gz VJSJATPBSZNARA-OFVOXDDOSA-N 0 1 269.392 2.618 20 30 CFEDMN C[C@H](CC#N)NCCCc1nc(-c2cccs2)no1 ZINC000602860439 351048171 /nfs/dbraw/zinc/04/81/71/351048171.db2.gz BTBFTZDQUAVESA-SNVBAGLBSA-N 0 1 276.365 2.622 20 30 CFEDMN C[C@@H](CC#N)NC[C@H](O)Cc1ccc2ccccc2c1 ZINC000602871441 351054170 /nfs/dbraw/zinc/05/41/70/351054170.db2.gz RFLHKQFAVDWUQX-SUMWQHHRSA-N 0 1 268.360 2.635 20 30 CFEDMN CC(C)(C#N)CCCN1CCC[C@@H]1c1ncccn1 ZINC000602899686 351060417 /nfs/dbraw/zinc/06/04/17/351060417.db2.gz PUYZADYIQZYUPR-CYBMUJFWSA-N 0 1 258.369 2.943 20 30 CFEDMN C[C@@H]1C[N@@H+](CC2(CC#N)CC2)CC[C@H]1C(=O)OC(C)(C)C ZINC000602916230 351063982 /nfs/dbraw/zinc/06/39/82/351063982.db2.gz MAPJMTSQTQDBSM-ZIAGYGMSSA-N 0 1 292.423 2.980 20 30 CFEDMN CN(Cc1cn(CC2(C#N)CCC2)nn1)C1CCCCC1 ZINC000603255648 351125900 /nfs/dbraw/zinc/12/59/00/351125900.db2.gz HLTDGGYYPSZJIR-UHFFFAOYSA-N 0 1 287.411 2.736 20 30 CFEDMN CN(C[C@H](O)C1CCCCC1)[C@@H]1CCC[C@@H]1C#N ZINC000602979200 351079781 /nfs/dbraw/zinc/07/97/81/351079781.db2.gz BBTWJAPMJYNDBJ-KFWWJZLASA-N 0 1 250.386 2.552 20 30 CFEDMN CN(CCC(=O)N(C)c1ccccc1)[C@H]1CCC[C@@H]1C#N ZINC000602980185 351080919 /nfs/dbraw/zinc/08/09/19/351080919.db2.gz MTICYMJHZQOEOO-ZBFHGGJFSA-N 0 1 285.391 2.664 20 30 CFEDMN CN(C[C@H](O)CCc1ccccc1)[C@H]1CCC[C@@H]1C#N ZINC000602980512 351082343 /nfs/dbraw/zinc/08/23/43/351082343.db2.gz QTKRRYWMZFKECL-ZACQAIPSSA-N 0 1 272.392 2.604 20 30 CFEDMN CO[C@H](CN(C)[C@@H]1CCC[C@@H]1C#N)C1CCCC1 ZINC000602981609 351083891 /nfs/dbraw/zinc/08/38/91/351083891.db2.gz GQRWIFIVKQLFAX-RBSFLKMASA-N 0 1 250.386 2.816 20 30 CFEDMN CC(C)(NCc1ccncc1N)c1cccc(C#N)c1 ZINC000603430776 351162905 /nfs/dbraw/zinc/16/29/05/351162905.db2.gz CPJZZVGKWFNSEN-UHFFFAOYSA-N 0 1 266.348 2.560 20 30 CFEDMN C=CCCCN(C)Cc1csc(-c2cnn(C)c2)n1 ZINC000605737729 351257341 /nfs/dbraw/zinc/25/73/41/351257341.db2.gz UBJKCKLFOXDBJN-UHFFFAOYSA-N 0 1 276.409 2.942 20 30 CFEDMN CC(C)(C)CN(CCO)Cc1ccc(C#N)cc1F ZINC000609316956 351495728 /nfs/dbraw/zinc/49/57/28/351495728.db2.gz FZNNLILWKPPRKP-UHFFFAOYSA-N 0 1 264.344 2.538 20 30 CFEDMN N#CC(C(=O)[C@@H]1CCCC12CC2)c1nnc2n1CCCCC2 ZINC000528926876 383678720 /nfs/dbraw/zinc/67/87/20/383678720.db2.gz GSUYYODWMUIZCX-STQMWFEESA-N 0 1 298.390 2.761 20 30 CFEDMN Cc1nn(C)cc1[C@@H]1CCCN1Cc1cccc(C#N)c1 ZINC000610729574 351598887 /nfs/dbraw/zinc/59/88/87/351598887.db2.gz OREAJWQQVOSFCN-KRWDZBQOSA-N 0 1 280.375 2.937 20 30 CFEDMN C=CCN(CC=C)C(=O)[C@H](C)N[C@H](C)c1cccc(C#N)c1 ZINC000610343856 351557251 /nfs/dbraw/zinc/55/72/51/351557251.db2.gz VBXRVULCMIDBHT-CABCVRRESA-N 0 1 297.402 2.798 20 30 CFEDMN CCN1CCN(c2c(C#N)cnc3c(C)cccc32)C[C@H]1C ZINC000611084489 351638968 /nfs/dbraw/zinc/63/89/68/351638968.db2.gz BAINHOIFMLKOEG-CQSZACIVSA-N 0 1 294.402 2.945 20 30 CFEDMN COc1ccc(C[N@H+]2CC[C@H](C(F)F)C2)cc1C#N ZINC000611179343 351648765 /nfs/dbraw/zinc/64/87/65/351648765.db2.gz AWQFPBDVRULNMW-NSHDSACASA-N 0 1 266.291 2.654 20 30 CFEDMN COc1ccc(CN2CC[C@H](C(F)F)C2)cc1C#N ZINC000611179343 351648768 /nfs/dbraw/zinc/64/87/68/351648768.db2.gz AWQFPBDVRULNMW-NSHDSACASA-N 0 1 266.291 2.654 20 30 CFEDMN C=CCCCN(C)Cc1cc2c(cc1[N+](=O)[O-])OCCO2 ZINC000611272412 351662234 /nfs/dbraw/zinc/66/22/34/351662234.db2.gz HZYXPIJXGBWNOF-UHFFFAOYSA-N 0 1 292.335 2.764 20 30 CFEDMN CC(C)(C)NC(=O)C(C#N)c1nc2cc(F)ccc2s1 ZINC000611249149 351657101 /nfs/dbraw/zinc/65/71/01/351657101.db2.gz QWBRGEBFUWPCHD-SECBINFHSA-N 0 1 291.351 2.957 20 30 CFEDMN CCCN(Cc1cn[nH]c1)Cc1ccc(C#N)cc1 ZINC000611255788 351658944 /nfs/dbraw/zinc/65/89/44/351658944.db2.gz XWHJQKVWTQYLBM-UHFFFAOYSA-N 0 1 254.337 2.694 20 30 CFEDMN N#Cc1cc(CN2CCS[C@H]3CCCC[C@H]32)ccn1 ZINC000610994507 351631146 /nfs/dbraw/zinc/63/11/46/351631146.db2.gz IPQHPSSTFFGYFN-CABCVRRESA-N 0 1 273.405 2.813 20 30 CFEDMN C[C@@H](NCC(=O)N(C)c1ccccc1)c1cccc(C#N)c1 ZINC000611386285 351678444 /nfs/dbraw/zinc/67/84/44/351678444.db2.gz JYZWVMCBZURDGT-CQSZACIVSA-N 0 1 293.370 2.872 20 30 CFEDMN C[C@@H](NCC(=O)Nc1ccccc1)c1cccc(C#N)c1 ZINC000611387396 351678996 /nfs/dbraw/zinc/67/89/96/351678996.db2.gz MXFJEJVHGZUWBI-CYBMUJFWSA-N 0 1 279.343 2.848 20 30 CFEDMN CC[C@H]1CCCCN1C(=O)CN[C@H](C)c1cccc(C#N)c1 ZINC000611388097 351679323 /nfs/dbraw/zinc/67/93/23/351679323.db2.gz WZPZJLLVUWHHCL-PBHICJAKSA-N 0 1 299.418 3.000 20 30 CFEDMN CC(C)N(C(=O)CN[C@H](C)c1cccc(C#N)c1)C(C)C ZINC000611387606 351679709 /nfs/dbraw/zinc/67/97/09/351679709.db2.gz DEDLTOLTNTYFTM-CQSZACIVSA-N 0 1 287.407 2.854 20 30 CFEDMN CC(C)n1cc([C@@H](C)NCc2ccnc(C#N)c2)cn1 ZINC000612517495 351830574 /nfs/dbraw/zinc/83/05/74/351830574.db2.gz ZXGFSZCNGFKONT-GFCCVEGCSA-N 0 1 269.352 2.581 20 30 CFEDMN CCN(C)[C@@H](C(=O)N1CCC[C@@](C)(C#N)C1)c1ccccc1 ZINC000612367386 351808925 /nfs/dbraw/zinc/80/89/25/351808925.db2.gz OSTDQGPYUPWRCV-AEFFLSMTSA-N 0 1 299.418 2.832 20 30 CFEDMN N#Cc1ccc(-c2nnc(CN3CCC4(CCC4)C3)o2)cc1 ZINC000123070091 187069286 /nfs/dbraw/zinc/06/92/86/187069286.db2.gz JEBKMNOOGHOFDV-UHFFFAOYSA-N 0 1 294.358 2.984 20 30 CFEDMN N#Cc1ccc2ncc(CNCc3ccccc3F)n2c1 ZINC000123151885 187074737 /nfs/dbraw/zinc/07/47/37/187074737.db2.gz NNKCUEWCXGZHMX-UHFFFAOYSA-N 0 1 280.306 2.635 20 30 CFEDMN CN(Cc1cn[nH]c1)Cc1ccc(C(C)(C)C#N)cc1 ZINC000614175956 352057097 /nfs/dbraw/zinc/05/70/97/352057097.db2.gz VSVSMYHVGZQDFE-UHFFFAOYSA-N 0 1 268.364 2.843 20 30 CFEDMN CCC[C@H](C)N1CCN(c2oc(C3CC3)nc2C#N)CC1 ZINC000614524350 352100752 /nfs/dbraw/zinc/10/07/52/352100752.db2.gz NDOIPEIATJURRL-LBPRGKRZSA-N 0 1 288.395 2.734 20 30 CFEDMN C[C@H](NCc1ccc(C#N)cn1)c1cccc(C#N)c1 ZINC000615093034 352152224 /nfs/dbraw/zinc/15/22/24/352152224.db2.gz JIZPMIHFFZFWQP-LBPRGKRZSA-N 0 1 262.316 2.676 20 30 CFEDMN C=CC[C@H]1CCCC[C@H]1NC(=O)c1ccc2[nH]nnc2c1 ZINC000617038523 352474374 /nfs/dbraw/zinc/47/43/74/352474374.db2.gz YLQSWODNTBHUJC-WCQYABFASA-N 0 1 284.363 2.823 20 30 CFEDMN C=CC[C@@H]1CCCC[C@@H]1NC(=O)CN(CC)C1CC1 ZINC000617039099 352474784 /nfs/dbraw/zinc/47/47/84/352474784.db2.gz CEIYYQJQTXKAKO-HIFRSBDPSA-N 0 1 264.413 2.722 20 30 CFEDMN C=CC[C@@H]1CCCC[C@H]1NC(=O)Cc1cc(C)n[nH]1 ZINC000617040789 352476349 /nfs/dbraw/zinc/47/63/49/352476349.db2.gz YRMJDYXQSWBUHT-TZMCWYRMSA-N 0 1 261.369 2.512 20 30 CFEDMN C=CC[C@H]1CCCC[C@H]1NC(=O)CCCCc1cn[nH]n1 ZINC000617042595 352478415 /nfs/dbraw/zinc/47/84/15/352478415.db2.gz TVNDONDJBNMHKI-DZGCQCFKSA-N 0 1 290.411 2.769 20 30 CFEDMN C=CCCC(=O)N1CCCC[C@H]1c1n[nH]c(C(C)C)n1 ZINC000292081294 198156430 /nfs/dbraw/zinc/15/64/30/198156430.db2.gz UESLGDWBLHMATN-LBPRGKRZSA-N 0 1 276.384 2.948 20 30 CFEDMN C=CC[C@H]1CCCN(C(=O)c2cc(CCC)[nH]n2)C1 ZINC000617787065 352647077 /nfs/dbraw/zinc/64/70/77/352647077.db2.gz GUJKAIXDSPWXSK-LBPRGKRZSA-N 0 1 261.369 2.791 20 30 CFEDMN Cc1nccnc1[C@H](C)N[C@@H]1CCc2cc(C#N)ccc21 ZINC000618805668 352884302 /nfs/dbraw/zinc/88/43/02/352884302.db2.gz OYJOVZRRLJKHTD-BLLLJJGKSA-N 0 1 278.359 2.995 20 30 CFEDMN C=CCC1(NC(=O)CCCCc2cn[nH]n2)CCCC1 ZINC000619110503 352955901 /nfs/dbraw/zinc/95/59/01/352955901.db2.gz GSNOHVSRIUMFLZ-UHFFFAOYSA-N 0 1 276.384 2.523 20 30 CFEDMN N#Cc1ccc(O[C@H]2CCN(Cc3cccc(F)c3)C2)nc1 ZINC000292233573 198212325 /nfs/dbraw/zinc/21/23/25/198212325.db2.gz PQTKRBSLJRJKKN-INIZCTEOSA-N 0 1 297.333 2.746 20 30 CFEDMN C[C@@H](NCC1(CC#N)CC1)c1ccccc1[N+](=O)[O-] ZINC000619526406 353033003 /nfs/dbraw/zinc/03/30/03/353033003.db2.gz PNYLVOXLTBIJDT-LLVKDONJSA-N 0 1 259.309 2.939 20 30 CFEDMN N#Cc1ccc(O[C@@H]2CCN(Cc3ccccc3F)C2)nc1 ZINC000292252713 198218313 /nfs/dbraw/zinc/21/83/13/198218313.db2.gz QYMXROPTCNPNAJ-OAHLLOKOSA-N 0 1 297.333 2.746 20 30 CFEDMN N#Cc1ccc(CNCc2cccnc2)cc1Cl ZINC000619748889 353063618 /nfs/dbraw/zinc/06/36/18/353063618.db2.gz XIDKTCRKNBRZMR-UHFFFAOYSA-N 0 1 257.724 2.896 20 30 CFEDMN CC(C)N1CCN([C@H](C#N)c2ccc(Cl)cc2)CC1 ZINC000619784815 353066324 /nfs/dbraw/zinc/06/63/24/353066324.db2.gz UWSCFOGBRNWVFZ-OAHLLOKOSA-N 0 1 277.799 2.931 20 30 CFEDMN C[C@@H]1CC[N@@H+](CCCC2(C#N)CCOCC2)C[C@H]1F ZINC000619621214 353040886 /nfs/dbraw/zinc/04/08/86/353040886.db2.gz NURHMGITUGHBNE-ZIAGYGMSSA-N 0 1 268.376 2.767 20 30 CFEDMN C=C[C@H](Sc1nc(-c2ccc(C)cc2)n[nH]1)C(=O)OC ZINC000619687299 353049265 /nfs/dbraw/zinc/04/92/65/353049265.db2.gz LIEPZOAJMXXGRX-NSHDSACASA-N 0 1 289.360 2.600 20 30 CFEDMN C#CCN1CCC[C@@H](c2nc3c(s2)CCCC3)C1 ZINC000152710942 188037527 /nfs/dbraw/zinc/03/75/27/188037527.db2.gz SFKQNIFYYSKVTG-GFCCVEGCSA-N 0 1 260.406 2.835 20 30 CFEDMN N#Cc1ccc([C@H](O)CN2CCc3c(F)cccc3C2)cc1 ZINC000152767404 188042934 /nfs/dbraw/zinc/04/29/34/188042934.db2.gz WRKMQKGFKZARTI-GOSISDBHSA-N 0 1 296.345 2.789 20 30 CFEDMN CC[C@H](C(=O)Nc1ccc(OC(C)C)c(C#N)c1)N(C)C ZINC000154007683 188116936 /nfs/dbraw/zinc/11/69/36/188116936.db2.gz SNTHWORFUHOUDI-CQSZACIVSA-N 0 1 289.379 2.624 20 30 CFEDMN C=C[C@](C)(CC)C(=O)NC[C@@H]1CCN1Cc1ccccc1 ZINC000620782660 353232719 /nfs/dbraw/zinc/23/27/19/353232719.db2.gz OFPDWAUEJVDWTJ-FUHWJXTLSA-N 0 1 286.419 2.979 20 30 CFEDMN C=CCCC(C)(C)NC(=O)c1cccc(-c2nnc[nH]2)c1 ZINC000620857607 353241644 /nfs/dbraw/zinc/24/16/44/353241644.db2.gz BUYWZPWTZKWHEN-UHFFFAOYSA-N 0 1 284.363 2.946 20 30 CFEDMN C[C@H](NCC(=O)NCCC(C)(C)C)c1ccc(C#N)cc1 ZINC000271689684 191277614 /nfs/dbraw/zinc/27/76/14/191277614.db2.gz RGLQKHFNVWSACK-ZDUSSCGKSA-N 0 1 287.407 2.761 20 30 CFEDMN C=CCC(F)(F)C(=O)NC[C@@H](c1cccs1)N(C)C ZINC000292699439 198380513 /nfs/dbraw/zinc/38/05/13/198380513.db2.gz QKCVSTZGZDGDSV-JTQLQIEISA-N 0 1 288.363 2.678 20 30 CFEDMN N#Cc1ccc(CN2CCOC[C@@H](C3CCC3)C2)s1 ZINC000292699459 198381004 /nfs/dbraw/zinc/38/10/04/198381004.db2.gz CDZNGJGXYQLBPG-ZDUSSCGKSA-N 0 1 276.405 2.868 20 30 CFEDMN C[C@H](NCC(=O)N1C[C@H](C)C[C@H](C)C1)c1ccc(C#N)cc1 ZINC000271709196 191285774 /nfs/dbraw/zinc/28/57/74/191285774.db2.gz VOVPBIOEGXFLQD-ZNMIVQPWSA-N 0 1 299.418 2.713 20 30 CFEDMN C=CCCOCCN[C@H]1CCCc2scnc21 ZINC000623924592 353760614 /nfs/dbraw/zinc/76/06/14/353760614.db2.gz HJBSXOIEUAUBLC-NSHDSACASA-N 0 1 252.383 2.703 20 30 CFEDMN C=CC(C)(C)CCNC(=O)N1C[C@H](C)N(CC)C[C@@H]1C ZINC000624464733 353886467 /nfs/dbraw/zinc/88/64/67/353886467.db2.gz NHMQBUBMPFJVPA-KBPBESRZSA-N 0 1 281.444 2.713 20 30 CFEDMN C=CCNC(=O)C[N@H+](Cc1ccc(C)cc1)C(C)(C)C ZINC000625697190 354088259 /nfs/dbraw/zinc/08/82/59/354088259.db2.gz VMGGXYYECAQSBV-UHFFFAOYSA-N 0 1 274.408 2.898 20 30 CFEDMN C=CC[C@@H]1CCN(CCCS(=O)(=O)c2ccccc2)C1 ZINC000625700769 354089322 /nfs/dbraw/zinc/08/93/22/354089322.db2.gz LQQKGJBKOIFXBM-OAHLLOKOSA-N 0 1 293.432 2.748 20 30 CFEDMN C=CC[C@@H]1CCN(CC(=O)Nc2ccc(C)cc2F)C1 ZINC000625702720 354090292 /nfs/dbraw/zinc/09/02/92/354090292.db2.gz IJOIWNDQPRNMKS-CYBMUJFWSA-N 0 1 276.355 2.971 20 30 CFEDMN C=CC[C@H]1CCN(Cc2nc(-c3ccccn3)no2)C1 ZINC000625703927 354091156 /nfs/dbraw/zinc/09/11/56/354091156.db2.gz PTPMDNWDXWGJIY-LBPRGKRZSA-N 0 1 270.336 2.530 20 30 CFEDMN C=CC[C@@H]1CCN(CC(=O)Nc2ccccc2OCC)C1 ZINC000625705263 354092601 /nfs/dbraw/zinc/09/26/01/354092601.db2.gz ZJKKWVGXZNPHPO-CQSZACIVSA-N 0 1 288.391 2.922 20 30 CFEDMN C#CC[C@@H](NCC(=O)N(CC)CC(=C)C)c1ccccc1 ZINC000271730554 191294381 /nfs/dbraw/zinc/29/43/81/191294381.db2.gz SDKJLKIWYSHQEQ-QGZVFWFLSA-N 0 1 284.403 2.765 20 30 CFEDMN C[C@]1(F)CCCN(CCC(=O)Nc2ccccc2C#N)C1 ZINC000295288486 199441006 /nfs/dbraw/zinc/44/10/06/199441006.db2.gz DMMLJZIMPHNUHE-INIZCTEOSA-N 0 1 289.354 2.711 20 30 CFEDMN C=CCSc1ccccc1C(=O)N1CCc2nc[nH]c2C1 ZINC000627370603 354363392 /nfs/dbraw/zinc/36/33/92/354363392.db2.gz FXYIFYIPIFZNEQ-UHFFFAOYSA-N 0 1 299.399 2.886 20 30 CFEDMN C#CC[C@H](NCC(=O)N1CCC[C@@H](C)C1)c1ccccc1 ZINC000271741824 191300994 /nfs/dbraw/zinc/30/09/94/191300994.db2.gz VRMOIMXMOBIVAC-WBVHZDCISA-N 0 1 284.403 2.599 20 30 CFEDMN C=CC[N@H+](C[C@@H]1CCCC[C@@H]1CC)[C@H]1CCS(=O)(=O)C1 ZINC000628152092 354448903 /nfs/dbraw/zinc/44/89/03/354448903.db2.gz LTIRYFVCJIECCK-JYJNAYRXSA-N 0 1 299.480 2.878 20 30 CFEDMN C=CCN(C[C@@H]1CCCC[C@@H]1CC)[C@H]1CCS(=O)(=O)C1 ZINC000628152092 354448904 /nfs/dbraw/zinc/44/89/04/354448904.db2.gz LTIRYFVCJIECCK-JYJNAYRXSA-N 0 1 299.480 2.878 20 30 CFEDMN C=CC(C)(C)CCNC(=O)Cc1[nH]nc2ccccc21 ZINC000628316963 354541811 /nfs/dbraw/zinc/54/18/11/354541811.db2.gz QXCSTZXVQBSRJM-UHFFFAOYSA-N 0 1 271.364 2.824 20 30 CFEDMN C=CC[C@@H]1CCN(C(=O)c2ccc(-c3nnc[nH]3)cc2)C1 ZINC000628490726 354606540 /nfs/dbraw/zinc/60/65/40/354606540.db2.gz FVXPTUYUUNOVOI-GFCCVEGCSA-N 0 1 282.347 2.510 20 30 CFEDMN C=CC[C@@H]1CCN(C(=O)c2cc3[nH]cnc3cc2F)C1 ZINC000628491864 354606984 /nfs/dbraw/zinc/60/69/84/354606984.db2.gz JKRJAOHXWFWLAQ-SNVBAGLBSA-N 0 1 273.311 2.740 20 30 CFEDMN C=CC[C@@H]1CCN(C(=O)c2cccc3[nH]c(C)nc32)C1 ZINC000628492226 354607948 /nfs/dbraw/zinc/60/79/48/354607948.db2.gz QDRVPNSRAZEYAO-GFCCVEGCSA-N 0 1 269.348 2.910 20 30 CFEDMN C=CCOc1cccc(C[N@H+]2CC[C@H](C(=O)[O-])[C@H](C)C2)c1 ZINC000629772553 354927896 /nfs/dbraw/zinc/92/78/96/354927896.db2.gz RXQBMOGOPNMFJY-CJNGLKHVSA-N 0 1 289.375 2.794 20 30 CFEDMN C=C1CC(C)(C(=O)N2CCN(C(C)(C)CC)CC2)C1 ZINC000630075101 354998272 /nfs/dbraw/zinc/99/82/72/354998272.db2.gz HHVVPBFCUKBQNM-UHFFFAOYSA-N 0 1 264.413 2.676 20 30 CFEDMN C=C1CC(C)(C(=O)NC[C@H](c2cccs2)N(C)C)C1 ZINC000630465623 355090097 /nfs/dbraw/zinc/09/00/97/355090097.db2.gz WSLBOKCSLZXIRL-GFCCVEGCSA-N 0 1 278.421 2.823 20 30 CFEDMN C=C(C)[C@@H](CC(=O)Nc1c(C)n[nH]c1C(F)F)OCC ZINC000272407277 191702239 /nfs/dbraw/zinc/70/22/39/191702239.db2.gz DXYXRQGPJZSSGN-SECBINFHSA-N 0 1 287.310 2.966 20 30 CFEDMN C=C1CC(C)(C(=O)N[C@@H](C)c2n[nH]c([C@@H](C)CC)n2)C1 ZINC000632753526 355737918 /nfs/dbraw/zinc/73/79/18/355737918.db2.gz HQSMWUUHEOJDQP-QWRGUYRKSA-N 0 1 276.384 2.852 20 30 CFEDMN C=CCCC(C)(C)CNC(=O)N[C@H](C)Cc1cc(C)[nH]n1 ZINC000633130248 355806430 /nfs/dbraw/zinc/80/64/30/355806430.db2.gz GLHYFVYSUIFKAG-GFCCVEGCSA-N 0 1 292.427 2.941 20 30 CFEDMN N#Cc1ccccc1CN1C[C@@H](O)C[C@@H]1c1ccccc1 ZINC000335251571 283214512 /nfs/dbraw/zinc/21/45/12/283214512.db2.gz YJPXMDZSYZYRON-ZWKOTPCHSA-N 0 1 278.355 2.866 20 30 CFEDMN N#Cc1csc(CN2C[C@H](O)C[C@H]2c2ccccc2)c1 ZINC000335247003 283247626 /nfs/dbraw/zinc/24/76/26/283247626.db2.gz UEMOOQUXYCVLMT-ZBFHGGJFSA-N 0 1 284.384 2.928 20 30 CFEDMN C=CCC(CC=C)C(=O)N1CCN([C@@H](C)CC)CC1 ZINC000297030137 200066160 /nfs/dbraw/zinc/06/61/60/200066160.db2.gz SBNQVAFXAWEQDI-AWEZNQCLSA-N 0 1 264.413 2.698 20 30 CFEDMN C=CCC[C@H](O)CN1CC[C@@](F)(c2ccccc2)C1 ZINC000669943034 540624027 /nfs/dbraw/zinc/62/40/27/540624027.db2.gz SZQQRAPGTYNPJN-HOTGVXAUSA-N 0 1 263.356 2.884 20 30 CFEDMN CCOc1cc(C(=O)Nc2scc(C)c2C#N)on1 ZINC000297623982 200245419 /nfs/dbraw/zinc/24/54/19/200245419.db2.gz CFPBGNLRTGSXDJ-UHFFFAOYSA-N 0 1 277.305 2.567 20 30 CFEDMN C=CCCCC(=O)Nc1nc(-c2ccc(C)o2)n[nH]1 ZINC000177824824 189072215 /nfs/dbraw/zinc/07/22/15/189072215.db2.gz GVBMUEQRSLBIBO-UHFFFAOYSA-N 0 1 260.297 2.668 20 30 CFEDMN C[C@@H]1[C@@H](C)CCN1CC(=O)Nc1cc(Cl)ccc1C#N ZINC000177897135 189077538 /nfs/dbraw/zinc/07/75/38/189077538.db2.gz DBBUKGXUZSTCEK-WDEREUQCSA-N 0 1 291.782 2.880 20 30 CFEDMN C=C[C@@H]1CCCCN1C(=O)N[C@H]1CCCc2cn[nH]c21 ZINC000683840556 540782522 /nfs/dbraw/zinc/78/25/22/540782522.db2.gz ADXMFTYRVBELAZ-OLZOCXBDSA-N 0 1 274.368 2.537 20 30 CFEDMN CCN(Cc1cncnc1)[C@@H](C)c1ccc(C#N)cc1 ZINC000179463067 189195382 /nfs/dbraw/zinc/19/53/82/189195382.db2.gz CLMDIJCZXBGINW-ZDUSSCGKSA-N 0 1 266.348 2.931 20 30 CFEDMN C=CC[C@H](Cc1ccccc1)NC(=O)[C@@H]1CCCCN1C ZINC000666032922 540896829 /nfs/dbraw/zinc/89/68/29/540896829.db2.gz WFKKWCOWUOPOLY-SJORKVTESA-N 0 1 286.419 2.774 20 30 CFEDMN N#Cc1ccc(CN2CCC[C@@H]2CCO)c(OC(F)F)c1 ZINC000426258455 239186300 /nfs/dbraw/zinc/18/63/00/239186300.db2.gz YOMICAIFZZMYPK-CYBMUJFWSA-N 0 1 296.317 2.506 20 30 CFEDMN CCc1nnc(NCCN2CC=C(C)CC2)c(C#N)c1CC ZINC000302166847 201377443 /nfs/dbraw/zinc/37/74/43/201377443.db2.gz RWSYPEANBBOQHM-UHFFFAOYSA-N 0 1 299.422 2.537 20 30 CFEDMN CC(=O)Nc1ccc(CN[C@@H](C)c2cccc(C#N)c2)cn1 ZINC000432503682 240016343 /nfs/dbraw/zinc/01/63/43/240016343.db2.gz XJAYVSMLYXWTDO-LBPRGKRZSA-N 0 1 294.358 2.762 20 30 CFEDMN COC[C@H](N[C@H](C)c1ccc(C#N)cc1F)[C@H]1CCCO1 ZINC000433001453 240076825 /nfs/dbraw/zinc/07/68/25/240076825.db2.gz IAPWMJVLKOGGAD-XFBWCDHKSA-N 0 1 292.354 2.542 20 30 CFEDMN CCOc1ccc(C=C(C)c2nc(C)c(C#N)c(=O)[nH]2)cc1 ZINC000435335186 240303319 /nfs/dbraw/zinc/30/33/19/240303319.db2.gz GEBJTOMAENUJEX-LUAWRHEFSA-N 0 1 295.342 2.909 20 30 CFEDMN CC[C@H](c1ccccc1OC)N(C)CC#CCOC ZINC000672577179 541443096 /nfs/dbraw/zinc/44/30/96/541443096.db2.gz AQTOPEDAOJIXGM-OAHLLOKOSA-N 0 1 261.365 2.728 20 30 CFEDMN COc1cc(-c2nc3ccc(C#N)cc3[nH]2)ccc1C#N ZINC000443034720 241032973 /nfs/dbraw/zinc/03/29/73/241032973.db2.gz IUBQKPUTNLEEGI-UHFFFAOYSA-N 0 1 274.283 2.982 20 30 CFEDMN Cc1cc(CNCC(=O)N(C)C2CCCCC2)ccc1C#N ZINC000443982878 241100540 /nfs/dbraw/zinc/10/05/40/241100540.db2.gz DXKJIZTYSPHRIY-UHFFFAOYSA-N 0 1 299.418 2.747 20 30 CFEDMN C[C@@H](O)[C@@H]1C[C@H](C)CCN1Cc1ccc(C#N)cc1F ZINC000443326996 241052938 /nfs/dbraw/zinc/05/29/38/241052938.db2.gz MBIXHIFOQLGBOF-HSMVNMDESA-N 0 1 276.355 2.679 20 30 CFEDMN CCC[C@@]1(CO)CCCN1Cc1ccc(F)cc1C#N ZINC000444779497 241194082 /nfs/dbraw/zinc/19/40/82/241194082.db2.gz YRGMJHIKZAALJL-INIZCTEOSA-N 0 1 276.355 2.824 20 30 CFEDMN CC[C@H](C)N1CCN(Cc2cc(C#N)cs2)CC1 ZINC000449626101 242073853 /nfs/dbraw/zinc/07/38/53/242073853.db2.gz CTDIZFKCDVRNBX-LBPRGKRZSA-N 0 1 263.410 2.536 20 30 CFEDMN N#Cc1ccccc1CN1CCSC[C@@H]1C1CC1 ZINC000449529392 242006716 /nfs/dbraw/zinc/00/67/16/242006716.db2.gz WTULLBYTUPWCMM-OAHLLOKOSA-N 0 1 258.390 2.886 20 30 CFEDMN CCC(=O)N[C@@H]1CCCN([C@H](C)c2ccc(C#N)cc2)C1 ZINC000330826101 203281712 /nfs/dbraw/zinc/28/17/12/203281712.db2.gz OUUUWRDIDUUIOU-CZUORRHYSA-N 0 1 285.391 2.610 20 30 CFEDMN C=CCCN(C)CC(=O)N[C@@H](c1ccccc1)C1CC1 ZINC000276506961 193360439 /nfs/dbraw/zinc/36/04/39/193360439.db2.gz XAQBJCRMTPMUPR-KRWDZBQOSA-N 0 1 272.392 2.762 20 30 CFEDMN CC[C@@H](C)c1nc([C@@H](C)NC(=O)C#Cc2ccccc2)n[nH]1 ZINC000277101312 193554655 /nfs/dbraw/zinc/55/46/55/193554655.db2.gz QNVSVVUYYRZTBI-CHWSQXEVSA-N 0 1 296.374 2.547 20 30 CFEDMN COc1ccc(C#N)cc1CN1CC2(CCC2)[C@H]2COC[C@@H]21 ZINC000459671309 245267218 /nfs/dbraw/zinc/26/72/18/245267218.db2.gz KFJGXYQINDCSMI-HOTGVXAUSA-N 0 1 298.386 2.568 20 30 CFEDMN N#Cc1cccc([N+](=O)[O-])c1CN[C@H]1CCC[C@@H]2C[C@@H]21 ZINC000459780130 245322616 /nfs/dbraw/zinc/32/26/16/245322616.db2.gz MXSMTWGBDBMQSY-OSMZGAPFSA-N 0 1 271.320 2.745 20 30 CFEDMN C[C@H]1CCC[C@](C#N)(NC(=O)Cc2[nH]nc3ccccc32)C1 ZINC000116804887 376207397 /nfs/dbraw/zinc/20/73/97/376207397.db2.gz WBEXQMKWHMEZCB-SJCJKPOMSA-N 0 1 296.374 2.694 20 30 CFEDMN C=C(C)[C@@H](CO)N(C)Cc1ccccc1OC(F)(F)F ZINC000677476250 541864041 /nfs/dbraw/zinc/86/40/41/541864041.db2.gz MYVYBQAOVVPEGR-GFCCVEGCSA-N 0 1 289.297 2.954 20 30 CFEDMN CC#CC(=O)Nc1ccccc1-c1nnc(C(C)C)[nH]1 ZINC000277556911 193691284 /nfs/dbraw/zinc/69/12/84/193691284.db2.gz WTJZHUISTLWVAA-UHFFFAOYSA-N 0 1 268.320 2.557 20 30 CFEDMN CN(CCc1ccccn1)Cc1cc(C#N)ccc1F ZINC000019844113 372198230 /nfs/dbraw/zinc/19/82/30/372198230.db2.gz KFXSIPAPWQCIEQ-UHFFFAOYSA-N 0 1 269.323 2.767 20 30 CFEDMN C=CCN(Cc1ccc(Cl)s1)C(=O)c1ccn[nH]1 ZINC000042387509 372918111 /nfs/dbraw/zinc/91/81/11/372918111.db2.gz JWHXMJBALDCKEM-UHFFFAOYSA-N 0 1 281.768 2.953 20 30 CFEDMN CC[C@H](C)c1nc([C@@H](C)NC(=O)C(C#N)(CC)CC)n[nH]1 ZINC000529158547 383687571 /nfs/dbraw/zinc/68/75/71/383687571.db2.gz AWBFLRCXCDZXPW-WDEREUQCSA-N 0 1 291.399 2.825 20 30 CFEDMN CCCN(CC(=O)N[C@H](C)CC)Cc1ccc(C#N)cc1 ZINC000047726559 373116159 /nfs/dbraw/zinc/11/61/59/373116159.db2.gz OMBFZJOJJRLSEW-CQSZACIVSA-N 0 1 287.407 2.685 20 30 CFEDMN C=CCN(CC=C)CCOc1cccc([N+](=O)[O-])c1 ZINC000051766935 373407961 /nfs/dbraw/zinc/40/79/61/373407961.db2.gz ODCRWVGIZUYNNP-UHFFFAOYSA-N 0 1 262.309 2.648 20 30 CFEDMN C=CCNC(=O)[C@@H](C)N(C)Cc1cccc2ccccc21 ZINC000053017334 373460842 /nfs/dbraw/zinc/46/08/42/373460842.db2.gz JTIXWZDMRYTESK-CQSZACIVSA-N 0 1 282.387 2.962 20 30 CFEDMN C=C(C)CN(CC)C(=O)CN1CCC(OCC(C)C)CC1 ZINC000054324512 373517560 /nfs/dbraw/zinc/51/75/60/373517560.db2.gz IDHPQKCDXZSWMG-UHFFFAOYSA-N 0 1 296.455 2.548 20 30 CFEDMN CC(C)N(CC(=O)N(CCC#N)c1ccccc1)C1CC1 ZINC000061165252 373712976 /nfs/dbraw/zinc/71/29/76/373712976.db2.gz IFESRGPZIZQAOY-UHFFFAOYSA-N 0 1 285.391 2.806 20 30 CFEDMN CC(C)(C)OC(=O)NC[C@@H]1CCCCN1CCCC#N ZINC000065237529 373850685 /nfs/dbraw/zinc/85/06/85/373850685.db2.gz HEFHVLAQYUBPHO-ZDUSSCGKSA-N 0 1 281.400 2.669 20 30 CFEDMN CCOc1ccc(C2=CCN(CC#CCOC)CC2)cc1 ZINC000678172867 541966670 /nfs/dbraw/zinc/96/66/70/541966670.db2.gz MXODYELYWAIKFE-UHFFFAOYSA-N 0 1 285.387 2.824 20 30 CFEDMN C=CCN(Cc1cccs1)C(=O)[C@H](C)N1CCCC1 ZINC000078605690 374568481 /nfs/dbraw/zinc/56/84/81/374568481.db2.gz TWPVCVIYNMIZQC-ZDUSSCGKSA-N 0 1 278.421 2.747 20 30 CFEDMN C[C@H]1CCCCN1CC(=O)N(CCC#N)c1ccccc1 ZINC000078822047 374570381 /nfs/dbraw/zinc/57/03/81/374570381.db2.gz YAVIXHBJBDVXGE-HNNXBMFYSA-N 0 1 285.391 2.808 20 30 CFEDMN CCOC(=O)[C@@H]1CCC[C@@H]1NCc1ccc(F)cc1C#N ZINC000451772703 383702150 /nfs/dbraw/zinc/70/21/50/383702150.db2.gz LBTVINMFUIEOKO-CABCVRRESA-N 0 1 290.338 2.519 20 30 CFEDMN N#CCCCNCc1sccc1Br ZINC000087575596 374825355 /nfs/dbraw/zinc/82/53/55/374825355.db2.gz GSKOZEMMJVBIHW-UHFFFAOYSA-N 0 1 259.172 2.904 20 30 CFEDMN C[C@@H]1CC[C@H](C)CN1CC(=O)Nc1cccc(C#N)c1 ZINC000088704464 374859356 /nfs/dbraw/zinc/85/93/56/374859356.db2.gz HXINUHRRQUQQNS-QWHCGFSZSA-N 0 1 271.364 2.617 20 30 CFEDMN C[C@@H]1CN(CC(C)(C)CCC#N)CCN1CC(F)(F)F ZINC000092103422 375089911 /nfs/dbraw/zinc/08/99/11/375089911.db2.gz OJDHOLHMRVJKLV-GFCCVEGCSA-N 0 1 291.361 2.885 20 30 CFEDMN C=CCN(CCc1ccccc1)Cc1cnc2cnccn12 ZINC000092505649 375115949 /nfs/dbraw/zinc/11/59/49/375115949.db2.gz AGNGPORKFAXOOI-UHFFFAOYSA-N 0 1 292.386 2.960 20 30 CFEDMN CCC(CC)CN(CCC#N)CC1=CCCOC1 ZINC000093101040 375186167 /nfs/dbraw/zinc/18/61/67/375186167.db2.gz OJQFQVUULWPCJX-UHFFFAOYSA-N 0 1 250.386 2.985 20 30 CFEDMN CC(C)OC(=O)[C@H](C)N(C)CC(C)(C)CCC#N ZINC000093773424 375310516 /nfs/dbraw/zinc/31/05/16/375310516.db2.gz AVNVOVPOYATYLH-LBPRGKRZSA-N 0 1 254.374 2.588 20 30 CFEDMN C#CCN(Cc1cnc2nc(C)cc(C)n12)C1CCCC1 ZINC000093819775 375317690 /nfs/dbraw/zinc/31/76/90/375317690.db2.gz CDJQLNLBWMVDDO-UHFFFAOYSA-N 0 1 282.391 2.724 20 30 CFEDMN CN(CCc1nccs1)Cc1cc(C#N)cs1 ZINC000093844089 375323912 /nfs/dbraw/zinc/32/39/12/375323912.db2.gz WMFDUKKDABWBKV-UHFFFAOYSA-N 0 1 263.391 2.751 20 30 CFEDMN CCN(CCOc1cccc(C#N)c1)Cc1ccccn1 ZINC000094679545 375373443 /nfs/dbraw/zinc/37/34/43/375373443.db2.gz BWNJRSFZVZSPTG-UHFFFAOYSA-N 0 1 281.359 2.854 20 30 CFEDMN CCc1cc(C(=O)N(CCC#N)CC(CC)CC)n[nH]1 ZINC000264204649 383708958 /nfs/dbraw/zinc/70/89/58/383708958.db2.gz RSMMTHJBJZPWPS-UHFFFAOYSA-N 0 1 276.384 2.764 20 30 CFEDMN C=C(C)CN(CC)CC(=O)NCCO[C@H]1CCCC[C@@H]1C ZINC000114712465 376082252 /nfs/dbraw/zinc/08/22/52/376082252.db2.gz NIUJKRVEMRNGLM-HOTGVXAUSA-N 0 1 296.455 2.596 20 30 CFEDMN COc1cc(C#N)ccc1CN1CCC[C@@H](n2cccn2)C1 ZINC000120795451 376694764 /nfs/dbraw/zinc/69/47/64/376694764.db2.gz CFTIZGHPBHQWEF-MRXNPFEDSA-N 0 1 296.374 2.600 20 30 CFEDMN COc1cc(C#N)ccc1C[N@H+]1CCS[C@H](C)[C@H]1C ZINC000121000194 376739549 /nfs/dbraw/zinc/73/95/49/376739549.db2.gz ICPBRZDXLPWRIR-VXGBXAGGSA-N 0 1 276.405 2.893 20 30 CFEDMN COc1cc(C#N)ccc1CN1CCS[C@H](C)[C@H]1C ZINC000121000194 376739560 /nfs/dbraw/zinc/73/95/60/376739560.db2.gz ICPBRZDXLPWRIR-VXGBXAGGSA-N 0 1 276.405 2.893 20 30 CFEDMN C=C[C@H](C)ONC(=O)[C@@H]1Cc2c1cccc2Cl ZINC000529513474 383715015 /nfs/dbraw/zinc/71/50/15/383715015.db2.gz RWXFMAAYVWINFQ-GZMMTYOYSA-N 0 1 251.713 2.602 20 30 CFEDMN C=CCN(C)[C@@H](CC)C(=O)Nc1ccc(OC)cc1 ZINC000121371066 376815257 /nfs/dbraw/zinc/81/52/57/376815257.db2.gz UZPACTHPAULCMP-AWEZNQCLSA-N 0 1 262.353 2.530 20 30 CFEDMN C=CCNC(=O)CN(Cc1ccoc1)C1CCCCC1 ZINC000124951480 377104153 /nfs/dbraw/zinc/10/41/53/377104153.db2.gz VBJLXDYAPOPWNA-UHFFFAOYSA-N 0 1 276.380 2.717 20 30 CFEDMN C[C@H](Cc1cnc[nH]1)C(=O)N[C@](C)(C#N)C1CCCCC1 ZINC000571700487 383718471 /nfs/dbraw/zinc/71/84/71/383718471.db2.gz UJVMGLBGVPPSED-MLGOLLRUSA-N 0 1 288.395 2.567 20 30 CFEDMN CC(C)c1ccc([C@@H]2CCCN2CC(=O)NCC#N)cc1 ZINC000125501925 377162544 /nfs/dbraw/zinc/16/25/44/377162544.db2.gz PZEMTPAQCWYJHL-INIZCTEOSA-N 0 1 285.391 2.587 20 30 CFEDMN C[C@H]1CN(CCCC(C)(C)C#N)CCN1CC(F)(F)F ZINC000128289178 377329625 /nfs/dbraw/zinc/32/96/25/377329625.db2.gz RJOLWIHJRDNWIL-LBPRGKRZSA-N 0 1 291.361 2.885 20 30 CFEDMN COc1ccc(C[N@H+](C)CCCn2cc[nH+]c2C)cc1C#N ZINC000130566116 377577190 /nfs/dbraw/zinc/57/71/90/377577190.db2.gz XKPXECSZZPCTDY-UHFFFAOYSA-N 0 1 298.390 2.594 20 30 CFEDMN Cc1ccc2nc([C@@H]3CCCN(CC#N)C3)[nH]c2c1 ZINC000130787443 377610570 /nfs/dbraw/zinc/61/05/70/377610570.db2.gz CHJJTVRAWDFNBR-GFCCVEGCSA-N 0 1 254.337 2.574 20 30 CFEDMN N#CCc1ccc(NC(=O)[C@H]2CCCc3[nH]ncc32)cc1 ZINC000132265582 377821405 /nfs/dbraw/zinc/82/14/05/377821405.db2.gz IGJJUCMCBUISPD-ZDUSSCGKSA-N 0 1 280.331 2.534 20 30 CFEDMN N#CCC(=O)Nc1ccc2nc(-c3ccco3)[nH]c2c1 ZINC000132309802 377824887 /nfs/dbraw/zinc/82/48/87/377824887.db2.gz BNKRMVWDTIIIEY-UHFFFAOYSA-N 0 1 266.260 2.675 20 30 CFEDMN C=CCCN(Cc1nc2ccccc2c(=O)[nH]1)C(C)C ZINC000132623773 377859970 /nfs/dbraw/zinc/85/99/70/377859970.db2.gz WPSGNGSWCRYLJK-UHFFFAOYSA-N 0 1 271.364 2.710 20 30 CFEDMN C=CCCN1CCN(c2ccc(F)cc2OC)CC1 ZINC000133131081 377906326 /nfs/dbraw/zinc/90/63/26/377906326.db2.gz DSYIUEIWASFKII-UHFFFAOYSA-N 0 1 264.344 2.532 20 30 CFEDMN CN(Cc1cc(C#N)ccc1F)[C@H](CO)C(C)(C)C ZINC000134387202 378009581 /nfs/dbraw/zinc/00/95/81/378009581.db2.gz DCRLOBLOAHLRPH-CQSZACIVSA-N 0 1 264.344 2.536 20 30 CFEDMN Cc1csc(N2CCN(CC(C)(C)CCC#N)CC2)n1 ZINC000133889693 377965770 /nfs/dbraw/zinc/96/57/70/377965770.db2.gz ZJXIOZAXFSRCOY-UHFFFAOYSA-N 0 1 292.452 2.904 20 30 CFEDMN CC[C@H]1CN(Cc2ccc(OC)c(C#N)c2)CCS1 ZINC000135110862 378084235 /nfs/dbraw/zinc/08/42/35/378084235.db2.gz VXLXAGAOMNNBPI-AWEZNQCLSA-N 0 1 276.405 2.894 20 30 CFEDMN COc1ccc(CNCc2ccc(C#N)s2)cc1OC ZINC000135666812 378154569 /nfs/dbraw/zinc/15/45/69/378154569.db2.gz SYEHOFPJPYJPJJ-UHFFFAOYSA-N 0 1 288.372 2.927 20 30 CFEDMN CN(Cc1ccccc1C(C)(C)C#N)[C@H]1CCCCNC1=O ZINC000135178297 378095792 /nfs/dbraw/zinc/09/57/92/378095792.db2.gz DMEZKKHMTDLOQG-INIZCTEOSA-N 0 1 299.418 2.588 20 30 CFEDMN C=C[C@](C)(CC)C(=O)NCCc1nnc(-c2ccccc2)[nH]1 ZINC000135187413 378096848 /nfs/dbraw/zinc/09/68/48/378096848.db2.gz XMRAQXVNQKGXCH-QGZVFWFLSA-N 0 1 298.390 2.733 20 30 CFEDMN CN(Cc1ccc(F)c(C#N)c1)[C@H]1CCCc2c1cnn2C ZINC000135619557 378152336 /nfs/dbraw/zinc/15/23/36/378152336.db2.gz JZIXUSFPVYVVTN-INIZCTEOSA-N 0 1 298.365 2.940 20 30 CFEDMN CC(C)(NCc1cccc(C#N)c1)C(=O)NCC1CCCC1 ZINC000136035287 378176167 /nfs/dbraw/zinc/17/61/67/378176167.db2.gz RYURBZIRANXBRY-UHFFFAOYSA-N 0 1 299.418 2.733 20 30 CFEDMN C=CCCCCCN(C)Cc1cc(=O)c(O)co1 ZINC000150900595 378280171 /nfs/dbraw/zinc/28/01/71/378280171.db2.gz VZNSXCUIVQXKDR-UHFFFAOYSA-N 0 1 251.326 2.524 20 30 CFEDMN CN(CCCC#N)Cc1cc(Br)cn1C ZINC000151525807 378334559 /nfs/dbraw/zinc/33/45/59/378334559.db2.gz PETARYDFYMYLIF-UHFFFAOYSA-N 0 1 270.174 2.523 20 30 CFEDMN C[C@@H]1CCCC[C@@H]1CNC(=O)[C@@H]1CCc2[nH]nnc2C1 ZINC000328932028 378441533 /nfs/dbraw/zinc/44/15/33/378441533.db2.gz IEQAMDDVHFMFHC-IJLUTSLNSA-N 0 1 276.384 2.692 20 30 CFEDMN C[C@@H]1CCCC[C@@H]1CNC(=O)[C@@H]1CCc2nn[nH]c2C1 ZINC000328932028 378441541 /nfs/dbraw/zinc/44/15/41/378441541.db2.gz IEQAMDDVHFMFHC-IJLUTSLNSA-N 0 1 276.384 2.692 20 30 CFEDMN CC1(CNC(=O)[C@H]2CCc3[nH]nnc3C2)CCCCC1 ZINC000328950459 378442651 /nfs/dbraw/zinc/44/26/51/378442651.db2.gz HNCZSOZISNELBN-NSHDSACASA-N 0 1 276.384 2.837 20 30 CFEDMN CC1(CNC(=O)[C@H]2CCc3nn[nH]c3C2)CCCCC1 ZINC000328950459 378442655 /nfs/dbraw/zinc/44/26/55/378442655.db2.gz HNCZSOZISNELBN-NSHDSACASA-N 0 1 276.384 2.837 20 30 CFEDMN CCc1nc([C@H](C)NC(=O)N[C@@H]2CCC[C@H](C)C2)n[nH]1 ZINC000328935904 378442719 /nfs/dbraw/zinc/44/27/19/378442719.db2.gz QNRJQFUAEILAKG-GARJFASQSA-N 0 1 279.388 2.510 20 30 CFEDMN CC1(C)CCCC[C@@H]1NC(=O)[C@@H]1CCc2[nH]nnc2C1 ZINC000328982267 378446498 /nfs/dbraw/zinc/44/64/98/378446498.db2.gz RZRZYTFADFDPOK-MFKMUULPSA-N 0 1 276.384 2.835 20 30 CFEDMN CC1(C)CCCC[C@@H]1NC(=O)[C@@H]1CCc2nn[nH]c2C1 ZINC000328982267 378446504 /nfs/dbraw/zinc/44/65/04/378446504.db2.gz RZRZYTFADFDPOK-MFKMUULPSA-N 0 1 276.384 2.835 20 30 CFEDMN O=C(NC1(c2nnc[nH]2)CCC1)[C@H]1CC12CCCC2 ZINC000329334534 378454400 /nfs/dbraw/zinc/45/44/00/378454400.db2.gz KTORRFNSHOAHKB-SNVBAGLBSA-N 0 1 260.341 2.721 20 30 CFEDMN O=C(N[C@@H]1CCc2nc[nH]c2C1)[C@H]1CCCCS1 ZINC000329330891 378454769 /nfs/dbraw/zinc/45/47/69/378454769.db2.gz MALGWULEZOYDLW-BXKDBHETSA-N 0 1 265.382 2.509 20 30 CFEDMN CC[C@@H]1C[C@H](CC(=O)N[C@@H]2CCc3nc[nH]c3C2)CCO1 ZINC000329328391 378455167 /nfs/dbraw/zinc/45/51/67/378455167.db2.gz XRWVSTCROFDSOA-JHJVBQTASA-N 0 1 291.395 2.819 20 30 CFEDMN CC1(C)CC[C@@H](C(=O)NC2(c3nnc[nH]3)CCC2)C1 ZINC000329358701 378457699 /nfs/dbraw/zinc/45/76/99/378457699.db2.gz XFJPJRIRSOXMLR-SNVBAGLBSA-N 0 1 262.357 2.967 20 30 CFEDMN O=C(CN1CCC[C@@H]1C1CCOCC1)Nc1nccs1 ZINC000329497735 378462277 /nfs/dbraw/zinc/46/22/77/378462277.db2.gz XRKVDCXUECOROO-GFCCVEGCSA-N 0 1 295.408 2.622 20 30 CFEDMN CN(C)c1ccncc1C(=O)N[C@H]1CCOC2(CCC2)C1 ZINC000329601588 378468103 /nfs/dbraw/zinc/46/81/03/378468103.db2.gz XRZQYHLTMJXCML-LBPRGKRZSA-N 0 1 289.379 2.554 20 30 CFEDMN C[C@H](NC(=O)c1coc(C2CCCC2)n1)c1nnc[nH]1 ZINC000328743548 378421249 /nfs/dbraw/zinc/42/12/49/378421249.db2.gz KAGBZFRANRIXJX-QMMMGPOBSA-N 0 1 275.312 2.516 20 30 CFEDMN C[C@H]1CCC[N@@H+](CCNC(=O)c2c[nH]c3cccnc23)C1 ZINC000328778781 378423318 /nfs/dbraw/zinc/42/33/18/378423318.db2.gz LYMXTXYOWNTKBI-LBPRGKRZSA-N 0 1 286.379 2.599 20 30 CFEDMN O=C(Nc1ccc2nc[nH]c2c1)[C@H]1C[C@]12CCOC2 ZINC000329722389 378487163 /nfs/dbraw/zinc/48/71/63/378487163.db2.gz FGUOLIUUPVNQES-YGRLFVJLSA-N 0 1 257.293 2.578 20 30 CFEDMN N#Cc1ccc(F)c(CN2CCCC[C@@H]2CC(N)=O)c1 ZINC000330463728 378561731 /nfs/dbraw/zinc/56/17/31/378561731.db2.gz UGTYMJAUAYKSFQ-CYBMUJFWSA-N 0 1 275.327 2.977 20 30 CFEDMN Cc1cc(C[C@@H](C)NC(=O)c2c(C)coc2C)n[nH]1 ZINC000330480606 378567183 /nfs/dbraw/zinc/56/71/83/378567183.db2.gz NYZGUBKSRPZBSW-SECBINFHSA-N 0 1 261.325 2.864 20 30 CFEDMN Clc1cccc(C#CCN2CCC3(CC2)OCCO3)c1 ZINC000156136689 378636665 /nfs/dbraw/zinc/63/66/65/378636665.db2.gz IOSBFSIKUGHWQM-UHFFFAOYSA-N 0 1 291.778 2.530 20 30 CFEDMN COCC(C)(C)[NH+]=C([O-])NCC1(C)Cc2ccccc2C1 ZINC000330626231 378591934 /nfs/dbraw/zinc/59/19/34/378591934.db2.gz VCHXFHOBBAQDPQ-UHFFFAOYSA-N 0 1 290.407 2.720 20 30 CFEDMN N#Cc1cnc(CN[C@@H]2CCCCC23CCCC3)nc1 ZINC000333592771 378833873 /nfs/dbraw/zinc/83/38/73/378833873.db2.gz VJBZHTRVQBFZOJ-CQSZACIVSA-N 0 1 270.380 2.941 20 30 CFEDMN C[C@H](NCc1cccc(N(C)C)n1)c1ccc(C#N)cc1 ZINC000163139967 378955568 /nfs/dbraw/zinc/95/55/68/378955568.db2.gz ZPFQFVMNRHUDHI-ZDUSSCGKSA-N 0 1 280.375 2.870 20 30 CFEDMN C=CCSCCNCc1csc([N+](=O)[O-])c1 ZINC000163893739 378995822 /nfs/dbraw/zinc/99/58/22/378995822.db2.gz AURIWEOZGFIMME-UHFFFAOYSA-N 0 1 258.368 2.665 20 30 CFEDMN Cn1cc(CN2CC=C(c3ccc(C#N)cc3)CC2)cn1 ZINC000334274299 379016732 /nfs/dbraw/zinc/01/67/32/379016732.db2.gz LQEPBKVWKAOVQA-UHFFFAOYSA-N 0 1 278.359 2.581 20 30 CFEDMN C#C[C@H](C)NCc1ccc(Br)c(F)c1 ZINC000166390155 379055763 /nfs/dbraw/zinc/05/57/63/379055763.db2.gz LLNKTTRESGRQNU-QMMMGPOBSA-N 0 1 256.118 2.700 20 30 CFEDMN N#Cc1cccc(CN2CCC[C@@H]2[C@@H]2CCCO2)c1F ZINC000335316138 379073504 /nfs/dbraw/zinc/07/35/04/379073504.db2.gz IIFGQDQHAMGCDK-CABCVRRESA-N 0 1 274.339 2.841 20 30 CFEDMN C=C(C)COCCNCc1ccc([N+](=O)[O-])cc1Cl ZINC000168134662 379081688 /nfs/dbraw/zinc/08/16/88/379081688.db2.gz NTSBSTNMHGMWHR-UHFFFAOYSA-N 0 1 284.743 2.931 20 30 CFEDMN CC(C)(C)CCN1C[C@@H](C#N)[C@@]2(C1)c1ccccc1NC2=O ZINC000334415201 379259299 /nfs/dbraw/zinc/25/92/99/379259299.db2.gz WWGBDMSDPKCZJC-ACJLOTCBSA-N 0 1 297.402 2.768 20 30 CFEDMN C=CCCCN(C)[C@@H](C(=O)N(C)C)c1ccccc1 ZINC000172324604 379542743 /nfs/dbraw/zinc/54/27/43/379542743.db2.gz YGMOJVWIUMWXAT-OAHLLOKOSA-N 0 1 260.381 2.714 20 30 CFEDMN C=CCCN(C)CC(=O)Nc1cccc(Cl)c1 ZINC000172621257 379608162 /nfs/dbraw/zinc/60/81/62/379608162.db2.gz IBRZRSULUVLJTQ-UHFFFAOYSA-N 0 1 252.745 2.786 20 30 CFEDMN N#Cc1ccc(C[N@H+]2CCOC[C@H](C3CCC3)C2)cc1F ZINC000335713887 379769604 /nfs/dbraw/zinc/76/96/04/379769604.db2.gz YPOQDZUWYCEERB-MRXNPFEDSA-N 0 1 288.366 2.946 20 30 CFEDMN N#Cc1ccc(CN2CCOC[C@H](C3CCC3)C2)cc1F ZINC000335713887 379769607 /nfs/dbraw/zinc/76/96/07/379769607.db2.gz YPOQDZUWYCEERB-MRXNPFEDSA-N 0 1 288.366 2.946 20 30 CFEDMN C[C@@H](CNCc1ccc(C#N)o1)[N@@H+](C)Cc1ccccc1 ZINC000174375811 379872545 /nfs/dbraw/zinc/87/25/45/379872545.db2.gz ZUMHOJZWNMNIEL-AWEZNQCLSA-N 0 1 283.375 2.761 20 30 CFEDMN C=C[C@H]1CCCCN1C(=O)c1cc2[nH]cnc2cc1F ZINC000335090722 379972264 /nfs/dbraw/zinc/97/22/64/379972264.db2.gz KZJFDTDZNZOBJP-JTQLQIEISA-N 0 1 273.311 2.883 20 30 CFEDMN C[C@H]1CN2CCCC[C@H]2CN1C(=O)Nc1cccc(C#N)c1 ZINC000335847008 379985753 /nfs/dbraw/zinc/98/57/53/379985753.db2.gz CRFKWPYZWBURLY-BBRMVZONSA-N 0 1 298.390 2.649 20 30 CFEDMN N#Cc1ccc(CSc2cn[nH]n2)c(Cl)c1 ZINC000335863353 380014215 /nfs/dbraw/zinc/01/42/15/380014215.db2.gz ICBQUUQRMPTYPL-UHFFFAOYSA-N 0 1 250.714 2.622 20 30 CFEDMN C[C@@H](c1ccc([S@@](C)=O)cc1)N(C)CCCC#N ZINC000175395136 380057975 /nfs/dbraw/zinc/05/79/75/380057975.db2.gz BTICISYNDVHHPQ-KPZWWZAWSA-N 0 1 264.394 2.721 20 30 CFEDMN N#Cc1ccc(C[N@H+]2C[C@H](O)C[C@H]2c2ccccc2)cc1 ZINC000335249407 380080121 /nfs/dbraw/zinc/08/01/21/380080121.db2.gz PTMADJSNXUIOSD-MSOLQXFVSA-N 0 1 278.355 2.866 20 30 CFEDMN N#Cc1cc(F)ccc1CN1CCC[C@H]2COCC[C@@H]21 ZINC000336041898 380257591 /nfs/dbraw/zinc/25/75/91/380257591.db2.gz NWPQIAXCNOMCME-BBRMVZONSA-N 0 1 274.339 2.698 20 30 CFEDMN CC[C@@H](/N=C/c1ccc(N(CC)CC)cc1O)C(=O)OC ZINC000176449472 380236798 /nfs/dbraw/zinc/23/67/98/380236798.db2.gz GGHMJYUKKNAUDJ-SWEABUAFSA-N 0 1 292.379 2.609 20 30 CFEDMN C=C1CCN(C(=O)[C@H](c2ccccc2)N(C)CC)CC1 ZINC000264475744 383744550 /nfs/dbraw/zinc/74/45/50/383744550.db2.gz KDJLZYQARZHSFX-INIZCTEOSA-N 0 1 272.392 2.858 20 30 CFEDMN C[C@@H](CC#N)N(C)Cc1cnc(-c2ccccc2)[nH]1 ZINC000179452343 380544809 /nfs/dbraw/zinc/54/48/09/380544809.db2.gz UXEAVWYXGNRZBG-LBPRGKRZSA-N 0 1 254.337 2.811 20 30 CFEDMN CNC(=O)C(C#N)c1nc(-c2ccc(Cl)cc2)cs1 ZINC000179472828 380546169 /nfs/dbraw/zinc/54/61/69/380546169.db2.gz RUKFFMFMIRYTJC-JTQLQIEISA-N 0 1 291.763 2.817 20 30 CFEDMN C[C@H](NCCCCC#N)c1ncc(Br)cn1 ZINC000336682500 380590709 /nfs/dbraw/zinc/59/07/09/380590709.db2.gz PRTNNMFHWSBPGQ-VIFPVBQESA-N 0 1 283.173 2.584 20 30 CFEDMN COC[C@@H](NCCCC#N)c1ccc(F)c(F)c1 ZINC000181445314 380793872 /nfs/dbraw/zinc/79/38/72/380793872.db2.gz QFJNDTGUGAGUGL-CYBMUJFWSA-N 0 1 254.280 2.546 20 30 CFEDMN COC[C@H](NCCCC#N)c1ccc(F)c(F)c1 ZINC000181445297 380794071 /nfs/dbraw/zinc/79/40/71/380794071.db2.gz QFJNDTGUGAGUGL-ZDUSSCGKSA-N 0 1 254.280 2.546 20 30 CFEDMN C[C@H](NCC(=O)Nc1cccc(C#N)c1)c1cccc(O)c1 ZINC000181492342 380806572 /nfs/dbraw/zinc/80/65/72/380806572.db2.gz QVRMSMNEKGIFQS-LBPRGKRZSA-N 0 1 295.342 2.553 20 30 CFEDMN C=C(C)CN(Cc1n[nH]c(CC)n1)Cc1ccccc1 ZINC000279221780 194339801 /nfs/dbraw/zinc/33/98/01/194339801.db2.gz CWBRVVUOPUPMIY-UHFFFAOYSA-N 0 1 270.380 2.945 20 30 CFEDMN C=CCN(Cc1n[nH]c(CC)n1)Cc1ccccc1F ZINC000181653597 380853501 /nfs/dbraw/zinc/85/35/01/380853501.db2.gz KKAYDVGHHBSXRJ-UHFFFAOYSA-N 0 1 274.343 2.694 20 30 CFEDMN Cc1ccc(C#N)cc1NC(=O)NCCN1CC=C(C)CC1 ZINC000358451390 380855044 /nfs/dbraw/zinc/85/50/44/380855044.db2.gz HNZVXWVLDKYVPA-UHFFFAOYSA-N 0 1 298.390 2.640 20 30 CFEDMN C[C@H](NCCn1cnnc1C1CC1)c1ccc(C#N)cc1F ZINC000358588290 380951703 /nfs/dbraw/zinc/95/17/03/380951703.db2.gz LOLHJHQRQPPIKG-NSHDSACASA-N 0 1 299.353 2.517 20 30 CFEDMN C=C(CC)CN1CCN(c2cccc([N+](=O)[O-])c2)CC1 ZINC000358622072 380975192 /nfs/dbraw/zinc/97/51/92/380975192.db2.gz AVTLBKTULAKHMM-UHFFFAOYSA-N 0 1 275.352 2.683 20 30 CFEDMN C#CCCCCC(=O)Nc1ccc(F)c(-c2nc[nH]n2)c1 ZINC000279280958 194366987 /nfs/dbraw/zinc/36/69/87/194366987.db2.gz WTDCVWHOBHOBKM-UHFFFAOYSA-N 0 1 286.310 2.743 20 30 CFEDMN C[C@@H](CCC#N)N1CCCN(C(=O)c2ccccc2)CC1 ZINC000411149880 381013713 /nfs/dbraw/zinc/01/37/13/381013713.db2.gz TWRZVQVDDJHRPH-HNNXBMFYSA-N 0 1 285.391 2.527 20 30 CFEDMN C[C@H]1OCCN(CCC2(C#N)CCCCC2)[C@@H]1C ZINC000411330738 381022298 /nfs/dbraw/zinc/02/22/98/381022298.db2.gz SWWMGIKTKKQVKE-ZIAGYGMSSA-N 0 1 250.386 2.960 20 30 CFEDMN N#CC1(CCN2CC[C@@](O)(C(F)(F)F)C2)CCCCC1 ZINC000411313172 381024080 /nfs/dbraw/zinc/02/40/80/381024080.db2.gz XDEAGRIJXUUYCX-ZDUSSCGKSA-N 0 1 290.329 2.850 20 30 CFEDMN N#CC1(CCN2CCOC[C@@H]2C2CC2)CCCCC1 ZINC000411416405 381027154 /nfs/dbraw/zinc/02/71/54/381027154.db2.gz DYOJTPWTEZIZML-OAHLLOKOSA-N 0 1 262.397 2.961 20 30 CFEDMN N#Cc1ccc(CN2CC[C@H]2Cc2ccccc2)o1 ZINC000353996343 381008665 /nfs/dbraw/zinc/00/86/65/381008665.db2.gz CKJLSOOEYUWGGW-AWEZNQCLSA-N 0 1 252.317 2.968 20 30 CFEDMN C=C[C@@H](CO)N[C@H](C)c1cc(C)ccc1OC(F)F ZINC000289574287 381049533 /nfs/dbraw/zinc/04/95/33/381049533.db2.gz BCPPQSDFJNKKNJ-MNOVXSKESA-N 0 1 271.307 2.794 20 30 CFEDMN C=C[C@@H](CO)N[C@H](C)c1cnn(-c2cc(C)ccc2C)c1C ZINC000289614684 381067936 /nfs/dbraw/zinc/06/79/36/381067936.db2.gz DFYFQJVCMQUJEV-ZBFHGGJFSA-N 0 1 299.418 2.995 20 30 CFEDMN C[C@H]1CCN(CC(=O)Nc2cccc(C#N)c2)CC1(C)C ZINC000354032276 381033304 /nfs/dbraw/zinc/03/33/04/381033304.db2.gz XUEXCFGYWIKHFX-ZDUSSCGKSA-N 0 1 285.391 2.865 20 30 CFEDMN Cc1cc(C2CCN(c3snc(C)c3C#N)CC2)[nH]n1 ZINC000289563466 381045474 /nfs/dbraw/zinc/04/54/74/381045474.db2.gz HFHJRKKDNFVZAX-UHFFFAOYSA-N 0 1 287.392 2.739 20 30 CFEDMN N#Cc1cccc(NC(=O)Cc2n[nH]c3ccccc32)c1 ZINC000354153283 381110410 /nfs/dbraw/zinc/11/04/10/381110410.db2.gz HSNFOMGZIBWTAR-UHFFFAOYSA-N 0 1 276.299 2.616 20 30 CFEDMN C[C@H](N[C@@H](C)c1cc2ccccc2o1)C(=O)N(C)CCC#N ZINC000182638098 381125986 /nfs/dbraw/zinc/12/59/86/381125986.db2.gz AAISAUOAWRNPQN-STQMWFEESA-N 0 1 299.374 2.844 20 30 CFEDMN Cn1cc(CN2CCC[C@H]2c2ccncc2)cc1C#N ZINC000289736637 381128665 /nfs/dbraw/zinc/12/86/65/381128665.db2.gz IENXJFUTAXQBKI-INIZCTEOSA-N 0 1 266.348 2.629 20 30 CFEDMN Cc1cnn(-c2ccncc2NCc2ccc(C#N)o2)c1 ZINC000182669727 381133341 /nfs/dbraw/zinc/13/33/41/381133341.db2.gz YLOHLWHHSNNSCY-UHFFFAOYSA-N 0 1 279.303 2.653 20 30 CFEDMN C=C[C@@H](CO)N[C@H](C)c1ccc(Br)s1 ZINC000289815105 381171307 /nfs/dbraw/zinc/17/13/07/381171307.db2.gz LVKPCZUYDYRVSU-SFYZADRCSA-N 0 1 276.199 2.708 20 30 CFEDMN C=CCN(C[C@@H]1CCC[C@@H](CC)C1)[C@@H]1CCS(=O)(=O)C1 ZINC000183013033 381197606 /nfs/dbraw/zinc/19/76/06/381197606.db2.gz PREOOYHDAYRFOL-BZUAXINKSA-N 0 1 299.480 2.878 20 30 CFEDMN CC(C)c1nc([C@@H]2CCCCN2c2ccc(C#N)cn2)n[nH]1 ZINC000289911234 381214231 /nfs/dbraw/zinc/21/42/31/381214231.db2.gz XYCKSQLQIGJBBH-ZDUSSCGKSA-N 0 1 296.378 2.926 20 30 CFEDMN CO[C@@H](C)CN(Cc1ccc(F)cc1C#N)C(C)C ZINC000354437716 381264935 /nfs/dbraw/zinc/26/49/35/381264935.db2.gz AKKCHKHMTWSAHA-LBPRGKRZSA-N 0 1 264.344 2.943 20 30 CFEDMN C=CCCN1CCN(CC(F)(F)F)CC1(C)C ZINC000342310256 381268664 /nfs/dbraw/zinc/26/86/64/381268664.db2.gz VWNKDDUVXCMLIP-UHFFFAOYSA-N 0 1 250.308 2.521 20 30 CFEDMN CC(C)c1nc([C@@H]2CCCCN2c2cccc(C#N)n2)n[nH]1 ZINC000289932950 381222532 /nfs/dbraw/zinc/22/25/32/381222532.db2.gz ZAVBQNDZXZLUMA-ZDUSSCGKSA-N 0 1 296.378 2.926 20 30 CFEDMN Cc1cc(C(=O)C(C#N)c2ccncn2)c2ccccc2n1 ZINC000354460711 381286923 /nfs/dbraw/zinc/28/69/23/381286923.db2.gz FPFAKCTWUURARJ-CQSZACIVSA-N 0 1 288.310 2.823 20 30 CFEDMN Cc1cc(C(=O)[C@H](C#N)c2ccncn2)c2ccccc2n1 ZINC000354460711 381286927 /nfs/dbraw/zinc/28/69/27/381286927.db2.gz FPFAKCTWUURARJ-CQSZACIVSA-N 0 1 288.310 2.823 20 30 CFEDMN N#Cc1ccccc1CN1CCCN(c2ccccn2)CC1 ZINC000183802949 381322673 /nfs/dbraw/zinc/32/26/73/381322673.db2.gz DTFLWXAYUWWMGK-UHFFFAOYSA-N 0 1 292.386 2.666 20 30 CFEDMN Cc1ccc(NC(=O)C[C@@H](C)NC[C@H](C)C#N)c(C)c1 ZINC000183833189 381326760 /nfs/dbraw/zinc/32/67/60/381326760.db2.gz VCNIUSFPYCWQPE-TZMCWYRMSA-N 0 1 273.380 2.770 20 30 CFEDMN Cn1ccc([C@H](NCCCCC#N)c2ccc(F)cc2)n1 ZINC000342454854 381340298 /nfs/dbraw/zinc/34/02/98/381340298.db2.gz CIGUCBLQAXZPLY-MRXNPFEDSA-N 0 1 286.354 2.932 20 30 CFEDMN CC(=O)c1ccc(C#N)c(N[C@@H]2C[C@H](C)[N@H+](C3CC3)C2)c1 ZINC000290522355 381463922 /nfs/dbraw/zinc/46/39/22/381463922.db2.gz CNXVWLMJXDRVTA-XHDPSFHLSA-N 0 1 283.375 2.798 20 30 CFEDMN CC(=O)c1ccc(C#N)c(N[C@@H]2C[C@H](C)N(C3CC3)C2)c1 ZINC000290522355 381463927 /nfs/dbraw/zinc/46/39/27/381463927.db2.gz CNXVWLMJXDRVTA-XHDPSFHLSA-N 0 1 283.375 2.798 20 30 CFEDMN C=CCN1C(=O)N=NC1SCc1cccc(C)c1 ZINC000348112451 381464398 /nfs/dbraw/zinc/46/43/98/381464398.db2.gz FWBDNYCARBVMON-UHFFFAOYSA-N 0 1 261.350 2.770 20 30 CFEDMN CC(C)[C@@](C)(C#N)NC(=O)CN1CC[C@]2(CC[C@@H](C)C2)C1 ZINC000359556542 381467844 /nfs/dbraw/zinc/46/78/44/381467844.db2.gz MDDNSRSBOFWOJS-OIISXLGYSA-N 0 1 291.439 2.553 20 30 CFEDMN Fc1ccc(C#CCN2CCCO[C@H]3CCC[C@@H]32)cc1 ZINC000370834809 381509675 /nfs/dbraw/zinc/50/96/75/381509675.db2.gz ZMSWCLIVIRLCCK-IRXDYDNUSA-N 0 1 273.351 2.821 20 30 CFEDMN N#Cc1ccc(SCCN2CCCOCC2)c(F)c1 ZINC000412996310 381527655 /nfs/dbraw/zinc/52/76/55/381527655.db2.gz SOKJNVFMPQYSDK-UHFFFAOYSA-N 0 1 280.368 2.512 20 30 CFEDMN COC(=O)c1cnc([C@@H](C)N[C@H]2CC[C@@H](CC#N)C2)s1 ZINC000414154460 381563590 /nfs/dbraw/zinc/56/35/90/381563590.db2.gz TZNITEUOGRIUJH-VWYCJHECSA-N 0 1 293.392 2.663 20 30 CFEDMN CC(C)c1nc([C@@H](C)NCc2ccc(C#N)s2)n[nH]1 ZINC000342819996 381568239 /nfs/dbraw/zinc/56/82/39/381568239.db2.gz FVOYTDNTINADDX-SECBINFHSA-N 0 1 275.381 2.712 20 30 CFEDMN CCN(CCCN(C[C@H](C)C#N)C1CC1)CC(F)(F)F ZINC000355079313 381600719 /nfs/dbraw/zinc/60/07/19/381600719.db2.gz PYNBLCFWJYRKBB-GFCCVEGCSA-N 0 1 291.361 2.885 20 30 CFEDMN CC(C)C[C@@H](CO)N(C)Cc1cc(C#N)ccc1F ZINC000185367210 381612547 /nfs/dbraw/zinc/61/25/47/381612547.db2.gz QHHPFEWTXVDANB-AWEZNQCLSA-N 0 1 264.344 2.536 20 30 CFEDMN C=CCNC(=O)[C@@H](C)N[C@@H](C)c1ccccc1OC(F)F ZINC000298489032 381648283 /nfs/dbraw/zinc/64/82/83/381648283.db2.gz IFIHNCRWDCUJDW-WDEREUQCSA-N 0 1 298.333 2.629 20 30 CFEDMN C=C(C)[C@@H](Cc1nc(-c2ccn3cncc3c2)no1)OCC ZINC000279532594 194469509 /nfs/dbraw/zinc/46/95/09/194469509.db2.gz LFSUFHPBFPUCED-CQSZACIVSA-N 0 1 298.346 2.908 20 30 CFEDMN C=C(C)CN(CC)[C@@H](C)C(=O)Nc1ccnn1C(C)C ZINC000298665247 381703918 /nfs/dbraw/zinc/70/39/18/381703918.db2.gz LSMUSAMUELPTAC-ZDUSSCGKSA-N 0 1 278.400 2.689 20 30 CFEDMN CC#CCCCC(=O)N[C@H]1C[C@@H](C)[N@@H+](Cc2ccccc2)C1 ZINC000185838330 381751019 /nfs/dbraw/zinc/75/10/19/381751019.db2.gz SHEXYVHTYHWLCX-AEFFLSMTSA-N 0 1 298.430 2.959 20 30 CFEDMN Clc1cccc(C#CCN2CC[C@@H](n3cccn3)C2)c1 ZINC000291972734 381786585 /nfs/dbraw/zinc/78/65/85/381786585.db2.gz VULDYHHBEVLRAX-MRXNPFEDSA-N 0 1 285.778 2.835 20 30 CFEDMN CC[C@@H]1CN(Cc2ccc(CC#N)cc2)C[C@H](C)O1 ZINC000343507948 381760566 /nfs/dbraw/zinc/76/05/66/381760566.db2.gz HXXOWQHWACGGKG-XJKSGUPXSA-N 0 1 258.365 2.752 20 30 CFEDMN Cc1nc(N[C@H]2CCCN(C)[C@@H]2C)c(Cl)cc1C#N ZINC000360081132 381762083 /nfs/dbraw/zinc/76/20/83/381762083.db2.gz CUHQPJTXYMCVNJ-MFKMUULPSA-N 0 1 278.787 2.810 20 30 CFEDMN C=CCNC(=O)C[N@H+](C)[C@@H](C)c1ccc(C)cc1C ZINC000298835172 381762096 /nfs/dbraw/zinc/76/20/96/381762096.db2.gz BHFGVITUKWZKAH-AWEZNQCLSA-N 0 1 260.381 2.598 20 30 CFEDMN C=CCNC(=O)CN(C)[C@@H](C)c1ccc(C)cc1C ZINC000298835172 381762103 /nfs/dbraw/zinc/76/21/03/381762103.db2.gz BHFGVITUKWZKAH-AWEZNQCLSA-N 0 1 260.381 2.598 20 30 CFEDMN CCN(CC)C(=O)CCC1CCN(CC2(C#N)CC2)CC1 ZINC000360211298 381770003 /nfs/dbraw/zinc/77/00/03/381770003.db2.gz CHTQBVMVGKZGGI-UHFFFAOYSA-N 0 1 291.439 2.651 20 30 CFEDMN C=C(CNC(=O)c1ccc2cncn2c1)c1ccccc1 ZINC000360208927 381770676 /nfs/dbraw/zinc/77/06/76/381770676.db2.gz NVBKHMNTAPKHDX-UHFFFAOYSA-N 0 1 277.327 2.778 20 30 CFEDMN C=CCN(CCc1ccco1)[C@H](C)c1cnccn1 ZINC000298897271 381777531 /nfs/dbraw/zinc/77/75/31/381777531.db2.gz MDEAFROBMKGMIO-CYBMUJFWSA-N 0 1 257.337 2.861 20 30 CFEDMN CN(C)[C@H]1CCOc2c(NC(=O)CCCC#N)cccc21 ZINC000360453495 381779519 /nfs/dbraw/zinc/77/95/19/381779519.db2.gz DVQUWXPBZRHMLZ-AWEZNQCLSA-N 0 1 287.363 2.704 20 30 CFEDMN C#CC[C@@H](C)NC(=O)[C@@H]1CCCCN1Cc1ccccc1 ZINC000360463968 381780860 /nfs/dbraw/zinc/78/08/60/381780860.db2.gz ALWCYKXVSPWKOJ-WBVHZDCISA-N 0 1 284.403 2.569 20 30 CFEDMN CN(Cc1ccc(C#N)cc1C(F)(F)F)[C@H]1CCOC1 ZINC000356233789 381834836 /nfs/dbraw/zinc/83/48/36/381834836.db2.gz SHQAZEFQELJUDP-LBPRGKRZSA-N 0 1 284.281 2.798 20 30 CFEDMN Cc1ccnc(N2CC(N(C)Cc3ccccc3)C2)c1C#N ZINC000343607893 381835594 /nfs/dbraw/zinc/83/55/94/381835594.db2.gz LERKSKCRUQGAQG-UHFFFAOYSA-N 0 1 292.386 2.582 20 30 CFEDMN C[C@@H]1CN(Cc2ccccc2)[C@@H](C)CN1CC1(C#N)CC1 ZINC000343576087 381809509 /nfs/dbraw/zinc/80/95/09/381809509.db2.gz BAFSZODBTLEGPK-JKSUJKDBSA-N 0 1 283.419 2.885 20 30 CFEDMN N#CC1(CN[C@@H](c2ccccc2)[C@H]2CCOC2)CC1 ZINC000343578977 381812280 /nfs/dbraw/zinc/81/22/80/381812280.db2.gz FXHDPUXIZDWJHY-GJZGRUSLSA-N 0 1 256.349 2.658 20 30 CFEDMN Cc1nc(N[C@H]2C[C@H](C)N(C3CC3)C2)c(Cl)cc1C#N ZINC000292726944 381819568 /nfs/dbraw/zinc/81/95/68/381819568.db2.gz UHTCVCHMHLPVTR-CABZTGNLSA-N 0 1 290.798 2.952 20 30 CFEDMN C=CCN1CC[C@@H](N(C)Cc2cc(C)c(C)cc2C)C1=O ZINC000343626296 381852410 /nfs/dbraw/zinc/85/24/10/381852410.db2.gz SUJJMZRTUZLSOP-QGZVFWFLSA-N 0 1 286.419 2.831 20 30 CFEDMN C#CCOc1ccc(CNCc2c(C)onc2CC)cc1 ZINC000292834897 381857946 /nfs/dbraw/zinc/85/79/46/381857946.db2.gz AUFHTJRCWOWWII-UHFFFAOYSA-N 0 1 284.359 2.847 20 30 CFEDMN C#CCCN(Cc1nc2ccccc2c(=O)[nH]1)[C@@H](C)CC ZINC000299251875 381873013 /nfs/dbraw/zinc/87/30/13/381873013.db2.gz YYXDADATFZEHBH-ZDUSSCGKSA-N 0 1 283.375 2.959 20 30 CFEDMN C#Cc1ccc(C[N@H+]2CCC[C@@H](n3cccn3)C2)cc1 ZINC000373249511 381959545 /nfs/dbraw/zinc/95/95/45/381959545.db2.gz IVDACVSJNVAWHN-QGZVFWFLSA-N 0 1 265.360 2.702 20 30 CFEDMN CC#CCN1CCC[C@H](c2nc(C(F)(F)F)cn2C)C1 ZINC000343779913 381937746 /nfs/dbraw/zinc/93/77/46/381937746.db2.gz NDCDFDZOEPHKHB-NSHDSACASA-N 0 1 285.313 2.642 20 30 CFEDMN CC(C)[C@@H]1CN(Cc2cc(C#N)ccc2F)CCCO1 ZINC000293161465 382012699 /nfs/dbraw/zinc/01/26/99/382012699.db2.gz OUNNMTNROJAHHF-INIZCTEOSA-N 0 1 276.355 2.944 20 30 CFEDMN C=CCCCCNS(=O)(=O)c1c(F)cc(F)cc1F ZINC000351577195 382047133 /nfs/dbraw/zinc/04/71/33/382047133.db2.gz RKNWJOLIOIEVLR-UHFFFAOYSA-N 0 1 293.310 2.739 20 30 CFEDMN C=CCCOCCNCc1cc(OC)ccc1F ZINC000293263317 382053370 /nfs/dbraw/zinc/05/33/70/382053370.db2.gz MXUSQHKGDUOOTQ-UHFFFAOYSA-N 0 1 253.317 2.517 20 30 CFEDMN C#C[C@H](NCc1ccc(Br)o1)C(C)C ZINC000300879451 382066926 /nfs/dbraw/zinc/06/69/26/382066926.db2.gz IQWBPOMIDAQVGF-JTQLQIEISA-N 0 1 256.143 2.790 20 30 CFEDMN C=C(C)CN(CC)C(=O)CN(C)[C@@H]1C[C@@](C)(OC)C1(C)C ZINC000362435053 382067317 /nfs/dbraw/zinc/06/73/17/382067317.db2.gz CCMKOPGUZIFEEU-RHSMWYFYSA-N 0 1 296.455 2.546 20 30 CFEDMN Cc1cccc2nc(Cc3noc([C@@]4(C#N)C[C@H]4C)n3)[nH]c21 ZINC000351083192 382026252 /nfs/dbraw/zinc/02/62/52/382026252.db2.gz NRYOPRCSBYXGRH-QLJPJBMISA-N 0 1 293.330 2.646 20 30 CFEDMN C=C(C)CCN1CCN(C(=O)C2CCCCC2)CC1 ZINC000351864099 382068005 /nfs/dbraw/zinc/06/80/05/382068005.db2.gz XIAAAKJQKUSKGR-UHFFFAOYSA-N 0 1 264.413 2.677 20 30 CFEDMN Cc1cccnc1CN(C)CCOCc1ccc(C#N)cc1 ZINC000344067683 382104206 /nfs/dbraw/zinc/10/42/06/382104206.db2.gz ISKDQMDSLGWOHJ-UHFFFAOYSA-N 0 1 295.386 2.910 20 30 CFEDMN C=CCC(F)(F)C(=O)N[C@H]1CCN(C)[C@H]1c1ccccc1 ZINC000293407479 382112870 /nfs/dbraw/zinc/11/28/70/382112870.db2.gz KCWMCIPIZATJOG-KBPBESRZSA-N 0 1 294.345 2.759 20 30 CFEDMN CN(Cc1ccccc1C#N)C[C@@H](O)Cc1ccccc1 ZINC000293414726 382114321 /nfs/dbraw/zinc/11/43/21/382114321.db2.gz SHTGREMQOIZMCC-SFHVURJKSA-N 0 1 280.371 2.594 20 30 CFEDMN C[C@@H]1CCN(Cc2ccccc2C(C)(C)C#N)[C@H](C(N)=O)C1 ZINC000187402894 382174172 /nfs/dbraw/zinc/17/41/72/382174172.db2.gz IUBKXBSHKMADCF-CJNGLKHVSA-N 0 1 299.418 2.574 20 30 CFEDMN C=C(Cl)CN1CCC[C@H](Cc2nnc3ccccn32)C1 ZINC000376371506 382132753 /nfs/dbraw/zinc/13/27/53/382132753.db2.gz UJCAHVOFDLSWAF-CYBMUJFWSA-N 0 1 290.798 2.736 20 30 CFEDMN N#CC1(c2ccccn2)CCN(C[C@H]2CCCCO2)CC1 ZINC000376595038 382154198 /nfs/dbraw/zinc/15/41/98/382154198.db2.gz JXFACULGGMGSLW-OAHLLOKOSA-N 0 1 285.391 2.508 20 30 CFEDMN C=C[C@@H](C)NC(=O)NC[C@@H](c1ccco1)N(CC)CC ZINC000362707330 382208525 /nfs/dbraw/zinc/20/85/25/382208525.db2.gz NKKWHFXDTNAGQE-OLZOCXBDSA-N 0 1 279.384 2.536 20 30 CFEDMN C=CCOCCN[C@H](C)c1c(F)cccc1OC ZINC000301761233 382191454 /nfs/dbraw/zinc/19/14/54/382191454.db2.gz GGAYQENBKKCDPJ-LLVKDONJSA-N 0 1 253.317 2.688 20 30 CFEDMN C#Cc1cccc(NC(=O)N2CCC(c3cnc[nH]3)CC2)c1 ZINC000363608616 382240570 /nfs/dbraw/zinc/24/05/70/382240570.db2.gz GLRPKFVKFWDRQA-UHFFFAOYSA-N 0 1 294.358 2.803 20 30 CFEDMN CC(C)CN1Cc2cccc(NC(=O)[C@H](C)C#N)c2C1 ZINC000344499243 382265807 /nfs/dbraw/zinc/26/58/07/382265807.db2.gz QSMABRADHWPYBP-GFCCVEGCSA-N 0 1 271.364 2.756 20 30 CFEDMN C=C(C)CCN1CCO[C@@H](COc2ccccc2)C1 ZINC000352393676 382306305 /nfs/dbraw/zinc/30/63/05/382306305.db2.gz AROQUBQVACUFCC-MRXNPFEDSA-N 0 1 261.365 2.732 20 30 CFEDMN C[C@@H](NC(=O)C(C#N)c1ncc(C(C)(C)C)s1)C1CC1 ZINC000419842289 382322943 /nfs/dbraw/zinc/32/29/43/382322943.db2.gz VLUJMUHPCWTKTK-MWLCHTKSSA-N 0 1 291.420 2.962 20 30 CFEDMN Cc1cc([C@H]2CCCN(c3ccc(C)c(C#N)n3)C2)[nH]n1 ZINC000364277875 382296213 /nfs/dbraw/zinc/29/62/13/382296213.db2.gz AQWRHHHTMMQDNA-ZDUSSCGKSA-N 0 1 281.363 2.677 20 30 CFEDMN C=C[C@H](CO)NCc1cnc(-c2cccs2)s1 ZINC000352481687 382356361 /nfs/dbraw/zinc/35/63/61/382356361.db2.gz PSFMIMSLQJSCRJ-SECBINFHSA-N 0 1 266.391 2.508 20 30 CFEDMN Cc1ccc(-c2cc(C(=O)N(CC#N)C3CC3)n[nH]2)cc1 ZINC000346500204 382387597 /nfs/dbraw/zinc/38/75/97/382387597.db2.gz DQGBBEMVTWNFIC-UHFFFAOYSA-N 0 1 280.331 2.513 20 30 CFEDMN N#CC1(F)CCN(Cc2ccc(-n3ccnc3)cc2)CC1 ZINC000352466369 382347452 /nfs/dbraw/zinc/34/74/52/382347452.db2.gz CFKBQYMCNKZFIX-UHFFFAOYSA-N 0 1 284.338 2.700 20 30 CFEDMN N#Cc1cccc(C[N@H+]2CC[C@@H](C(F)(F)F)[C@H](CO)C2)c1 ZINC000352670596 382444929 /nfs/dbraw/zinc/44/49/29/382444929.db2.gz HCGBDIWGHBEAHA-UONOGXRCSA-N 0 1 298.308 2.551 20 30 CFEDMN N#Cc1cccc(CN2CC[C@@H](C(F)(F)F)[C@H](CO)C2)c1 ZINC000352670596 382444931 /nfs/dbraw/zinc/44/49/31/382444931.db2.gz HCGBDIWGHBEAHA-UONOGXRCSA-N 0 1 298.308 2.551 20 30 CFEDMN C=CCCC[C@@H](C)NC(=O)[C@@]1(N(C)C)CCCSC1 ZINC000378450418 382462918 /nfs/dbraw/zinc/46/29/18/382462918.db2.gz IDXXYZTXRDGPPS-UKRRQHHQSA-N 0 1 284.469 2.675 20 30 CFEDMN C=CCOc1ccccc1CN1CC[C@]12CCOC2 ZINC000421404524 382521094 /nfs/dbraw/zinc/52/10/94/382521094.db2.gz YZVFFNKDHNFUFO-MRXNPFEDSA-N 0 1 259.349 2.616 20 30 CFEDMN C[C@@H]1CC[C@@H](O)CN1CC#Cc1cccc(Cl)c1 ZINC000421005014 382505171 /nfs/dbraw/zinc/50/51/71/382505171.db2.gz GENPZEFXXOAXRF-IUODEOHRSA-N 0 1 263.768 2.537 20 30 CFEDMN C=CCOc1cccc(CN2CC[C@@]23CCOC3)c1 ZINC000421395383 382516784 /nfs/dbraw/zinc/51/67/84/382516784.db2.gz IDVWHRURKNEGGO-INIZCTEOSA-N 0 1 259.349 2.616 20 30 CFEDMN CC[C@H](CC#N)N[C@H](C)CC(=O)Nc1cccc(OC)c1 ZINC000358305144 382559244 /nfs/dbraw/zinc/55/92/44/382559244.db2.gz XMITWGVQNXUTIA-CHWSQXEVSA-N 0 1 289.379 2.694 20 30 CFEDMN N#Cc1ccc(Cl)c(C(=O)Nc2ccc3[nH]nnc3c2)c1 ZINC000353610310 382577358 /nfs/dbraw/zinc/57/73/58/382577358.db2.gz WKEXSJQACLTNKP-UHFFFAOYSA-N 0 1 297.705 2.735 20 30 CFEDMN COc1ccc(F)cc1[C@H](C)NCc1cc(C#N)n(C)c1 ZINC000189585695 382627208 /nfs/dbraw/zinc/62/72/08/382627208.db2.gz KXHMIEUHVKBGGI-NSHDSACASA-N 0 1 287.338 2.895 20 30 CFEDMN Cc1ncc(CNCc2ccc(CC#N)cc2)s1 ZINC000399214931 382638217 /nfs/dbraw/zinc/63/82/17/382638217.db2.gz ZHMROPQSVCSETM-UHFFFAOYSA-N 0 1 257.362 2.807 20 30 CFEDMN C=CCN(CCOC)C(=O)c1cc(C2CCCCC2)[nH]n1 ZINC000191973190 382703904 /nfs/dbraw/zinc/70/39/04/382703904.db2.gz ZJJFYSOBBZQPHO-UHFFFAOYSA-N 0 1 291.395 2.732 20 30 CFEDMN COc1ccc(C#N)cc1CN1CC[C@@H](OC)C[C@H]1C ZINC000336827261 382724788 /nfs/dbraw/zinc/72/47/88/382724788.db2.gz UVAUYNLMVJJANK-IUODEOHRSA-N 0 1 274.364 2.566 20 30 CFEDMN CC(C)SCCN1CCN(c2ccccc2C#N)CC1 ZINC000336832958 382726907 /nfs/dbraw/zinc/72/69/07/382726907.db2.gz WZSBIMLZHZBCEE-UHFFFAOYSA-N 0 1 289.448 2.822 20 30 CFEDMN C=CCN1CC[C@H](N(C)[C@@H](C)c2ccc(C)cc2)C1=O ZINC000337125125 382763964 /nfs/dbraw/zinc/76/39/64/382763964.db2.gz DUXVTGDMLVGAFD-HOCLYGCPSA-N 0 1 272.392 2.775 20 30 CFEDMN CC(C)(C)CCCN1CCN(c2ncccc2C#N)CC1 ZINC000337128699 382764701 /nfs/dbraw/zinc/76/47/01/382764701.db2.gz IJWHHQRGGJIFRE-UHFFFAOYSA-N 0 1 286.423 2.902 20 30 CFEDMN C=CCN1CC[C@@H](N2Cc3ccccc3C(C)(C)C2)C1=O ZINC000337174027 382771547 /nfs/dbraw/zinc/77/15/47/382771547.db2.gz GSTFABAJOJYUBH-MRXNPFEDSA-N 0 1 284.403 2.567 20 30 CFEDMN C=CCN1CC[C@H](N(C)CCc2ccccc2CC)C1=O ZINC000337202850 382775993 /nfs/dbraw/zinc/77/59/93/382775993.db2.gz FRARVBZHRQYEPY-KRWDZBQOSA-N 0 1 286.419 2.510 20 30 CFEDMN CC[C@H](C)N(CCCC(C)(C)C#N)CC(=O)OC ZINC000337217806 382779167 /nfs/dbraw/zinc/77/91/67/382779167.db2.gz ANAWPFYTXYHLIS-LBPRGKRZSA-N 0 1 254.374 2.590 20 30 CFEDMN CC[C@@H](C)N(CCCCC(C)(C)C#N)CC(=O)OC ZINC000337247367 382785014 /nfs/dbraw/zinc/78/50/14/382785014.db2.gz OXSNMWDVSLOPKJ-CYBMUJFWSA-N 0 1 268.401 2.980 20 30 CFEDMN C[C@@H](N[C@@H](C)C(=O)Nc1cccc(C#N)c1)c1cccnc1 ZINC000194721606 382753342 /nfs/dbraw/zinc/75/33/42/382753342.db2.gz QVTNJZOFEDMNHA-OLZOCXBDSA-N 0 1 294.358 2.631 20 30 CFEDMN N#CCc1cccc(C(=O)Nc2ncc(C(F)(F)F)[nH]2)c1 ZINC000337615720 382848604 /nfs/dbraw/zinc/84/86/04/382848604.db2.gz ATIVEQZMPORTNX-UHFFFAOYSA-N 0 1 294.236 2.747 20 30 CFEDMN COc1cc(C(=O)C(C#N)c2nc(C)cs2)cc(C)n1 ZINC000337345777 382807163 /nfs/dbraw/zinc/80/71/63/382807163.db2.gz LNRUCFINAQBXCY-NSHDSACASA-N 0 1 287.344 2.654 20 30 CFEDMN N#Cc1ccc(CN2CC[C@@]3(O)CCCC[C@H]3C2)c(F)c1 ZINC000227361058 382836791 /nfs/dbraw/zinc/83/67/91/382836791.db2.gz ZTWDTWGVISTJJF-RDJZCZTQSA-N 0 1 288.366 2.824 20 30 CFEDMN CCCN(CC)Cc1nnc(-c2cccc(C#N)c2)o1 ZINC000441284757 382905332 /nfs/dbraw/zinc/90/53/32/382905332.db2.gz XHUQTBNIABHYPX-UHFFFAOYSA-N 0 1 270.336 2.840 20 30 CFEDMN CCCCN(CCOC)Cc1ccc(C#N)cc1[N+](=O)[O-] ZINC000577757033 382869969 /nfs/dbraw/zinc/86/99/69/382869969.db2.gz IJYDSXFYTFPPDH-UHFFFAOYSA-N 0 1 291.351 2.715 20 30 CFEDMN COCC[N@H+](Cc1ccc(C#N)c(OC)c1)CC(C)C ZINC000234629491 382874578 /nfs/dbraw/zinc/87/45/78/382874578.db2.gz PDTMVVDPIUASDK-UHFFFAOYSA-N 0 1 276.380 2.671 20 30 CFEDMN C[C@H](C(=O)NCc1ccc(C#N)s1)N1CCCCCC1 ZINC000421602197 382883441 /nfs/dbraw/zinc/88/34/41/382883441.db2.gz RGNLYUPBCKTTRN-GFCCVEGCSA-N 0 1 291.420 2.500 20 30 CFEDMN CC[C@@H](C)[C@@H]1C[N@H+](CCCC#N)CCN1CCCC#N ZINC000337981574 382887623 /nfs/dbraw/zinc/88/76/23/382887623.db2.gz SRCAUDKIFOUFOH-CVEARBPZSA-N 0 1 276.428 2.626 20 30 CFEDMN C=CCNC(=O)[C@@H](C)N(C)C/C(C)=C\c1ccccc1 ZINC000494268812 382911564 /nfs/dbraw/zinc/91/15/64/382911564.db2.gz RTRYNRDAPQENTM-IKESIWSLSA-N 0 1 272.392 2.712 20 30 CFEDMN N#Cc1ccc(C(=O)Nc2cccc3c2OCCC3)cc1O ZINC000442684885 382944504 /nfs/dbraw/zinc/94/45/04/382944504.db2.gz ZEPLOHIAWLZSMA-UHFFFAOYSA-N 0 1 294.310 2.841 20 30 CFEDMN C=C(C)CN[C@@H](CO)c1ccccc1OC(F)(F)F ZINC000280237709 194761003 /nfs/dbraw/zinc/76/10/03/194761003.db2.gz AUHIMSHQSRSTLH-NSHDSACASA-N 0 1 275.270 2.784 20 30 CFEDMN COC(=O)c1cccc(CN(C(C)C)C2CC2)c1C#N ZINC000535218287 382953778 /nfs/dbraw/zinc/95/37/78/382953778.db2.gz CVDZIJXZABWBCV-UHFFFAOYSA-N 0 1 272.348 2.718 20 30 CFEDMN CCCOc1ncccc1CN[C@@H]1CC[C@@H](C#N)C1 ZINC000442775116 382954580 /nfs/dbraw/zinc/95/45/80/382954580.db2.gz FRLPHKLSWMVMKF-TZMCWYRMSA-N 0 1 259.353 2.652 20 30 CFEDMN C=CCN(C[C@@H]1CCCC(C)(C)C1)[C@H]1CCS(=O)(=O)C1 ZINC000535797053 382955210 /nfs/dbraw/zinc/95/52/10/382955210.db2.gz MNJLEGUFARRINT-CABCVRRESA-N 0 1 299.480 2.878 20 30 CFEDMN CCCN(CC#N)C(=O)c1cccc(Br)c1O ZINC000538743082 382960284 /nfs/dbraw/zinc/96/02/84/382960284.db2.gz YKTINVOZDJGDJR-UHFFFAOYSA-N 0 1 297.152 2.530 20 30 CFEDMN C[C@@H]1CN(CC(=O)NC2(C#N)CCCCC2)CC(C)(C)C1 ZINC000541325826 382965036 /nfs/dbraw/zinc/96/50/36/382965036.db2.gz RFIYCLZLCKZEMF-AWEZNQCLSA-N 0 1 291.439 2.697 20 30 CFEDMN N#C[C@@H]1CC[C@H](NCc2ccn(C3CCCC3)n2)C1 ZINC000442846279 382961189 /nfs/dbraw/zinc/96/11/89/382961189.db2.gz JJFKZVILLYZTHP-OLZOCXBDSA-N 0 1 258.369 2.780 20 30 CFEDMN N#C[C@@H]1CC[C@H](NCc2ccncc2OCC(F)F)C1 ZINC000442857002 382961288 /nfs/dbraw/zinc/96/12/88/382961288.db2.gz OZJJREGYSCUCMG-PWSUYJOCSA-N 0 1 281.306 2.507 20 30 CFEDMN C=CCCC[C@H](C)NC(=O)N1C[C@@H](C)N(CC)C[C@@H]1C ZINC000539392408 382961390 /nfs/dbraw/zinc/96/13/90/382961390.db2.gz WZGMDAJZYPAPTN-ZNMIVQPWSA-N 0 1 281.444 2.855 20 30 CFEDMN COC(=O)c1cc(CN2CCC(CC#N)CC2)oc1C ZINC000543783120 382973700 /nfs/dbraw/zinc/97/37/00/382973700.db2.gz RQLUEGAXXOLWPT-UHFFFAOYSA-N 0 1 276.336 2.500 20 30 CFEDMN C=CC1CCN(C(=O)c2sccc2CN(C)C)CC1 ZINC000446918081 382992375 /nfs/dbraw/zinc/99/23/75/382992375.db2.gz ICYQSMYVPBYXQT-UHFFFAOYSA-N 0 1 278.421 2.848 20 30 CFEDMN CN(CC#Cc1ccc(F)cc1)[C@H](CO)c1ccccc1 ZINC000446844410 382993171 /nfs/dbraw/zinc/99/31/71/382993171.db2.gz GXYPQJCGKYKSQA-GOSISDBHSA-N 0 1 283.346 2.843 20 30 CFEDMN N#Cc1ccc([C@@H](C(N)=O)N2CC[C@@H](C3CCCC3)C2)cc1 ZINC000579223540 382993608 /nfs/dbraw/zinc/99/36/08/382993608.db2.gz ZOVPJCPGXLSAIA-SJORKVTESA-N 0 1 297.402 2.597 20 30 CFEDMN CC#CCN1CCN(c2cccc3cnccc32)C[C@@H]1C ZINC000447378866 382996356 /nfs/dbraw/zinc/99/63/56/382996356.db2.gz AWNGMCAXZKDEEP-HNNXBMFYSA-N 0 1 279.387 2.769 20 30 CFEDMN C=C[C@@](C)(CC)C(=O)N=c1cc(-c2ccc(C)o2)[nH][nH]1 ZINC000447801071 383008284 /nfs/dbraw/zinc/00/82/84/383008284.db2.gz AXAPLRPPQUVSAE-HNNXBMFYSA-N 0 1 273.336 2.941 20 30 CFEDMN CC(C)(C)OC(=O)[C@@]12CCC[C@H]1CN(CC1(C#N)CC1)C2 ZINC000579430994 383014804 /nfs/dbraw/zinc/01/48/04/383014804.db2.gz LHKGZAFSGDXDBD-SUMWQHHRSA-N 0 1 290.407 2.734 20 30 CFEDMN Cc1nn(-c2ccncc2)cc1CN(C[C@@H](C)C#N)C1CC1 ZINC000541535401 382965801 /nfs/dbraw/zinc/96/58/01/382965801.db2.gz CBJYPNZYXUMLFC-ZDUSSCGKSA-N 0 1 295.390 2.700 20 30 CFEDMN N#CCC1(CN[C@@H](c2nnc[nH]2)C2CCCCC2)CC1 ZINC000579664624 383039692 /nfs/dbraw/zinc/03/96/92/383039692.db2.gz HLULCOMXGJQWIT-CYBMUJFWSA-N 0 1 273.384 2.710 20 30 CFEDMN CN(CCC#N)[C@@H]1CCCN(C(=O)OC(C)(C)C)CC1 ZINC000496006396 383054028 /nfs/dbraw/zinc/05/40/28/383054028.db2.gz UOZSYONEZZDONL-CYBMUJFWSA-N 0 1 281.400 2.621 20 30 CFEDMN CC(C)C[C@H](CNC[C@H](C)C#N)NC(=O)OC(C)(C)C ZINC000496219054 383076779 /nfs/dbraw/zinc/07/67/79/383076779.db2.gz WSMGXKAONDYPAA-CHWSQXEVSA-N 0 1 283.416 2.675 20 30 CFEDMN CCCCNC(=O)OC[C@H]1CCCCN1CCCC#N ZINC000495746450 383020835 /nfs/dbraw/zinc/02/08/35/383020835.db2.gz DIAGACUTOABKAS-CQSZACIVSA-N 0 1 281.400 2.671 20 30 CFEDMN C=C(C)CN1CCN(c2ccc(F)c(OC)c2)CC1 ZINC000338632118 383025024 /nfs/dbraw/zinc/02/50/24/383025024.db2.gz JKANSMICBCQFJC-UHFFFAOYSA-N 0 1 264.344 2.532 20 30 CFEDMN N#Cc1ccc(CN2CCC(c3ccccn3)CC2)nc1 ZINC000593967865 383123187 /nfs/dbraw/zinc/12/31/87/383123187.db2.gz GSFCOLCBXMRJQS-UHFFFAOYSA-N 0 1 278.359 2.728 20 30 CFEDMN C[C@H](NCc1cnc(N(C)C)s1)c1cccc(C#N)c1 ZINC000610344877 383135213 /nfs/dbraw/zinc/13/52/13/383135213.db2.gz KEQFDKKGVVYHCF-NSHDSACASA-N 0 1 286.404 2.932 20 30 CFEDMN CCN(CCCN(C)C(=O)OC(C)(C)C)C[C@H](C)C#N ZINC000496395772 383095983 /nfs/dbraw/zinc/09/59/83/383095983.db2.gz GQPOVKIHIBWJHR-CYBMUJFWSA-N 0 1 283.416 2.725 20 30 CFEDMN C[C@H]1CCC[N@@H+](CC(=O)N(C)C2(C#N)CCCCC2)[C@H]1C ZINC000247115532 383145027 /nfs/dbraw/zinc/14/50/27/383145027.db2.gz YPDGEUCECMDQMI-GJZGRUSLSA-N 0 1 291.439 2.792 20 30 CFEDMN CC(C)(C)C(=O)NC1CCN(Cc2cccc(C#N)c2)CC1 ZINC000586045073 383117769 /nfs/dbraw/zinc/11/77/69/383117769.db2.gz QZQGVQBJGFYBHM-UHFFFAOYSA-N 0 1 299.418 2.685 20 30 CFEDMN C[C@@H]1CC[C@H](C)N1CC(=O)Nc1ccccc1CC#N ZINC000565205503 383177221 /nfs/dbraw/zinc/17/72/21/383177221.db2.gz SYVOEYOKMJHFHU-BETUJISGSA-N 0 1 271.364 2.564 20 30 CFEDMN COCc1ccc(CNCc2ccc(CC#N)cc2)o1 ZINC000565715806 383181017 /nfs/dbraw/zinc/18/10/17/383181017.db2.gz ROODOZKODJBDQC-UHFFFAOYSA-N 0 1 270.332 2.782 20 30 CFEDMN CC[C@H](CC#N)NC(=O)c1cccc(C(F)(F)F)c1O ZINC000565785411 383181896 /nfs/dbraw/zinc/18/18/96/383181896.db2.gz QLWDKTAHVZRZRS-MRVPVSSYSA-N 0 1 286.253 2.833 20 30 CFEDMN N#CCC[C@H](C#N)CNCCSCc1ccccc1C#N ZINC000517557062 383184670 /nfs/dbraw/zinc/18/46/70/383184670.db2.gz VTFFPJQOYLFFIR-CQSZACIVSA-N 0 1 298.415 2.825 20 30 CFEDMN C=CCOCC[N@@H+]1C[C@H](C2CCCCC2)C[C@H]1C(=O)[O-] ZINC000566510407 383187993 /nfs/dbraw/zinc/18/79/93/383187993.db2.gz QPIXOCRQRNMMGV-CABCVRRESA-N 0 1 281.396 2.544 20 30 CFEDMN C=C(C)CN(C)C(=O)[C@H](CC)N(C)Cc1ccccc1 ZINC000339343851 383191108 /nfs/dbraw/zinc/19/11/08/383191108.db2.gz NJINETHTVFDGCI-INIZCTEOSA-N 0 1 274.408 2.932 20 30 CFEDMN C=CCCCC[N@H+](C)Cc1ccc(OCC(=O)[O-])cc1 ZINC000518782666 383209730 /nfs/dbraw/zinc/20/97/30/383209730.db2.gz HMIOQBKIWJSEMH-UHFFFAOYSA-N 0 1 277.364 2.938 20 30 CFEDMN C=C(C)CCN1CCN(C(=O)NC2CCCCC2)CC1 ZINC000509370930 383148606 /nfs/dbraw/zinc/14/86/06/383148606.db2.gz IFOBCALDGOLYHX-UHFFFAOYSA-N 0 1 279.428 2.613 20 30 CFEDMN CC(C)N(CCC#N)C(=O)c1cnc(-c2ccccc2)[nH]1 ZINC000555665532 383148974 /nfs/dbraw/zinc/14/89/74/383148974.db2.gz OEZNWIMRDVWUJL-UHFFFAOYSA-N 0 1 282.347 2.841 20 30 CFEDMN C=C(C)CCN1CCN(c2cc(OC)ccc2F)CC1 ZINC000510778070 383149701 /nfs/dbraw/zinc/14/97/01/383149701.db2.gz MDSUHIDTUPGKSH-UHFFFAOYSA-N 0 1 278.371 2.923 20 30 CFEDMN COc1cc(CN2CCC(CC#N)CC2)cc(OC)c1O ZINC000514818686 383155387 /nfs/dbraw/zinc/15/53/87/383155387.db2.gz UIOMOPNVVVJTBL-UHFFFAOYSA-N 0 1 290.363 2.535 20 30 CFEDMN Cc1cnc(C(=O)N(CCC#N)c2ccc(F)cc2)c(O)c1 ZINC000562345537 383156635 /nfs/dbraw/zinc/15/66/35/383156635.db2.gz XSVRGJCUQQEQFM-UHFFFAOYSA-N 0 1 299.305 2.795 20 30 CFEDMN C=CCCCCN1CCN(C(=O)c2cccc(O)c2)CC1 ZINC000562532850 383160291 /nfs/dbraw/zinc/16/02/91/383160291.db2.gz ZUNMEFXZCFJPPU-UHFFFAOYSA-N 0 1 288.391 2.506 20 30 CFEDMN C[C@H](O)[C@@](C)(CNC[C@@H](C#N)CCC#N)Cc1ccccc1 ZINC000520582989 383264711 /nfs/dbraw/zinc/26/47/11/383264711.db2.gz GHCPHINXKGZTMV-CGTJXYLNSA-N 0 1 299.418 2.649 20 30 CFEDMN C=CCN(CC=C)C(=O)[C@@H](C)N[C@@H](C)c1cnc(C)s1 ZINC000634577887 383242741 /nfs/dbraw/zinc/24/27/41/383242741.db2.gz VHORMYIXUFASPN-NWDGAFQWSA-N 0 1 293.436 2.691 20 30 CFEDMN CCN(CC(=O)N[C@@](C)(C#N)C1CC1)Cc1ccc(C)cc1 ZINC000519917864 383245502 /nfs/dbraw/zinc/24/55/02/383245502.db2.gz NUIJWPVIIUIBHR-SFHVURJKSA-N 0 1 299.418 2.625 20 30 CFEDMN N#Cc1ccc2c(c1)N(C(=O)c1cccc3nc[nH]c31)CC2 ZINC000339823255 383331193 /nfs/dbraw/zinc/33/11/93/383331193.db2.gz UEIHGYXUMAMUSM-UHFFFAOYSA-N 0 1 288.310 2.637 20 30 CFEDMN N#CCc1ccccc1NC(=O)[C@@H]1CCCc2[nH]ncc21 ZINC000567750792 383311448 /nfs/dbraw/zinc/31/14/48/383311448.db2.gz IREMJPWGDSPXFG-GFCCVEGCSA-N 0 1 280.331 2.534 20 30 CFEDMN CC(C)(C#N)CCN1CCOC[C@H]1CC1CCC1 ZINC000339770885 383311549 /nfs/dbraw/zinc/31/15/49/383311549.db2.gz HYZGTPREZMOROC-CQSZACIVSA-N 0 1 250.386 2.817 20 30 CFEDMN CCC[C@@H](C)NC(=O)[C@H]1CCCN(CC2(C#N)CCC2)C1 ZINC000450325272 383391001 /nfs/dbraw/zinc/39/10/01/383391001.db2.gz TVDANADCGRDLFK-CABCVRRESA-N 0 1 291.439 2.697 20 30 CFEDMN C=CCC1(C(=O)Nc2nc(-c3ccccn3)n[nH]2)CCCC1 ZINC000449814706 383366594 /nfs/dbraw/zinc/36/65/94/383366594.db2.gz TUKJCZPCRJLPJY-UHFFFAOYSA-N 0 1 297.362 2.942 20 30 CFEDMN CC#CCCN1CC[C@@H](O)[C@H]1c1ccc(Cl)cc1 ZINC000425555426 383385181 /nfs/dbraw/zinc/38/51/81/383385181.db2.gz YSIMALSVOJTDIS-HUUCEWRRSA-N 0 1 263.768 2.861 20 30 CFEDMN C=CC[C@H](CC)NC(=O)c1cn[nH]c1-c1ccccn1 ZINC000487681586 383481217 /nfs/dbraw/zinc/48/12/17/383481217.db2.gz XILLOCZDRQZCBA-NSHDSACASA-N 0 1 270.336 2.556 20 30 CFEDMN Cc1cccc([C@H]2CCCN2CC(=O)NC2(C#N)CCC2)c1 ZINC000526135939 383433896 /nfs/dbraw/zinc/43/38/96/383433896.db2.gz XCFLRZFCIZEWGW-MRXNPFEDSA-N 0 1 297.402 2.694 20 30 CFEDMN C[C@H](NC(C)(C)c1cnn(C)c1)c1cccc(C#N)c1 ZINC000526949791 383440196 /nfs/dbraw/zinc/44/01/96/383440196.db2.gz FODSXOUFHUIPSE-LBPRGKRZSA-N 0 1 268.364 2.878 20 30 CFEDMN CCc1nc(CNc2cc(C#N)ccc2C(F)(F)F)n[nH]1 ZINC000450558145 383460482 /nfs/dbraw/zinc/46/04/82/383460482.db2.gz WIOQQNWDOSJSHE-UHFFFAOYSA-N 0 1 295.268 2.870 20 30 CFEDMN N#Cc1c(F)cccc1CN(C[C@@H]1CCOC1)C1CC1 ZINC000428465051 383479200 /nfs/dbraw/zinc/47/92/00/383479200.db2.gz RCMFVASCINHCSV-LBPRGKRZSA-N 0 1 274.339 2.698 20 30 CFEDMN C=C[C@@H]1CCCCN1C(=O)c1n[nH]c(C(C)C)c1[N+](=O)[O-] ZINC000428042703 383420456 /nfs/dbraw/zinc/42/04/56/383420456.db2.gz NBBDRDUFVXAPIG-SNVBAGLBSA-N 0 1 292.339 2.622 20 30 CFEDMN COC(=O)[C@H](CC(C)C)N(C)CCCC(C)(C)C#N ZINC000429118123 383504573 /nfs/dbraw/zinc/50/45/73/383504573.db2.gz RPWXPKBHZOENFK-ZDUSSCGKSA-N 0 1 268.401 2.836 20 30 CFEDMN CSC[C@@H]1CCCN(C[C@H](C#N)CCC#N)C1 ZINC000429296056 383515571 /nfs/dbraw/zinc/51/55/71/383515571.db2.gz RIFDEVQIIRVZMS-QWHCGFSZSA-N 0 1 251.399 2.505 20 30 CFEDMN Cc1oc(NC(=O)CN(C)[C@H]2CC[C@@H](C)C2)c(C#N)c1C ZINC000429557563 383543378 /nfs/dbraw/zinc/54/33/78/383543378.db2.gz COHNYHURAUZWQK-MFKMUULPSA-N 0 1 289.379 2.827 20 30 CFEDMN C=CCCCCCN(C)C(=O)C(C)(C)CN1CCOCC1 ZINC000635596907 383597923 /nfs/dbraw/zinc/59/79/23/383597923.db2.gz XBYDHAMDVHMAAR-UHFFFAOYSA-N 0 1 296.455 2.550 20 30 CFEDMN N#CC(C(=O)c1cncs1)c1nc2ccccc2[nH]1 ZINC000429676727 383557771 /nfs/dbraw/zinc/55/77/71/383557771.db2.gz SDWKYEIOIAONHS-MRVPVSSYSA-N 0 1 268.301 2.509 20 30 CFEDMN N#C[C@H](C(=O)c1cncs1)c1nc2ccccc2[nH]1 ZINC000429676727 383557774 /nfs/dbraw/zinc/55/77/74/383557774.db2.gz SDWKYEIOIAONHS-MRVPVSSYSA-N 0 1 268.301 2.509 20 30 CFEDMN COc1cccc(N2CCN([C@@H]3CC[C@@H](C#N)C3)CC2)c1 ZINC000429727267 383563863 /nfs/dbraw/zinc/56/38/63/383563863.db2.gz BRIPUFLIRWMIDK-GDBMZVCRSA-N 0 1 285.391 2.509 20 30 CFEDMN CC(C)=CCC[C@H](C)CC(=O)NC1(C#N)CCN(C)CC1 ZINC000570045607 383564725 /nfs/dbraw/zinc/56/47/25/383564725.db2.gz CDROUNKWSRLXSG-HNNXBMFYSA-N 0 1 291.439 2.863 20 30 CFEDMN COc1ccc(C#N)cc1CN1CC[C@@H](OC)C(C)(C)C1 ZINC000451567867 383648978 /nfs/dbraw/zinc/64/89/78/383648978.db2.gz QTGBJLWYUWFKQP-MRXNPFEDSA-N 0 1 288.391 2.814 20 30 CFEDMN CCC(CC)CN(CCC#N)CCC(=O)N(C)CC ZINC000431363080 383651577 /nfs/dbraw/zinc/65/15/77/383651577.db2.gz ITDNACKACFIDPC-UHFFFAOYSA-N 0 1 267.417 2.507 20 30 CFEDMN C[C@H]1O[C@@H](C)[C@H](C)[C@@H]1NCc1cccc(F)c1C#N ZINC000528758173 383626375 /nfs/dbraw/zinc/62/63/75/383626375.db2.gz HEALZRJSEVMMQJ-ZVXAKGHKSA-N 0 1 262.328 2.599 20 30 CFEDMN CCO[C@H]1CC[N@@H+](Cc2cc(C#N)ccc2OC)C[C@H]1C ZINC000451527906 383636547 /nfs/dbraw/zinc/63/65/47/383636547.db2.gz HQXZPEARXHPCIQ-CJNGLKHVSA-N 0 1 288.391 2.814 20 30 CFEDMN CCO[C@H]1CCN(Cc2cc(C#N)ccc2OC)C[C@H]1C ZINC000451527906 383636550 /nfs/dbraw/zinc/63/65/50/383636550.db2.gz HQXZPEARXHPCIQ-CJNGLKHVSA-N 0 1 288.391 2.814 20 30 CFEDMN Cc1c(F)cccc1NC(=O)CCN(C)CC(C)(C)C#N ZINC000433307120 383758988 /nfs/dbraw/zinc/75/89/88/383758988.db2.gz UAZSDVHRJFQATE-UHFFFAOYSA-N 0 1 291.370 2.944 20 30 CFEDMN CC[C@@H](CC#N)NC(=O)C(C#N)CCc1ccccc1 ZINC000433379289 383761588 /nfs/dbraw/zinc/76/15/88/383761588.db2.gz UBRKXXISNCKCHI-GJZGRUSLSA-N 0 1 269.348 2.567 20 30 CFEDMN C[C@@H]1C[N@H+](CCCNc2ccc(F)cc2C#N)C[C@H](C)O1 ZINC000264692172 383772519 /nfs/dbraw/zinc/77/25/19/383772519.db2.gz ZNJLEJPKZWCPAX-BETUJISGSA-N 0 1 291.370 2.609 20 30 CFEDMN C[C@@H]1CN(CCCNc2ccc(F)cc2C#N)C[C@H](C)O1 ZINC000264692172 383772520 /nfs/dbraw/zinc/77/25/20/383772520.db2.gz ZNJLEJPKZWCPAX-BETUJISGSA-N 0 1 291.370 2.609 20 30 CFEDMN CCc1nc(SCc2ccc(C#N)s2)n[nH]1 ZINC000572377955 383778106 /nfs/dbraw/zinc/77/81/06/383778106.db2.gz SRBIAIIEONFRIR-UHFFFAOYSA-N 0 1 250.352 2.593 20 30 CFEDMN CCc1n[nH]c(SCc2ccc(C#N)s2)n1 ZINC000572377955 383778112 /nfs/dbraw/zinc/77/81/12/383778112.db2.gz SRBIAIIEONFRIR-UHFFFAOYSA-N 0 1 250.352 2.593 20 30 CFEDMN C=CCN(CC=C)C(=O)CNC1(c2ccccc2C)CC1 ZINC000645979007 383809595 /nfs/dbraw/zinc/80/95/95/383809595.db2.gz MVNUCFSIWLYRPE-UHFFFAOYSA-N 0 1 284.403 2.774 20 30 CFEDMN C=CCC[C@@H](O)C[N@@H+](CC(=O)[O-])[C@@H](CC)c1ccccc1 ZINC000572782030 383817207 /nfs/dbraw/zinc/81/72/07/383817207.db2.gz HJFZNFZKLLZCEA-CVEARBPZSA-N 0 1 291.391 2.851 20 30 CFEDMN CCC(=O)c1ccc(O)c(NC(=O)[C@](C)(C#N)CC)c1 ZINC000436649917 383864336 /nfs/dbraw/zinc/86/43/36/383864336.db2.gz XXQJMMINFDYGOV-HNNXBMFYSA-N 0 1 274.320 2.863 20 30 CFEDMN CC(=O)c1ccc(O)c(NC(=O)c2ccc(CC#N)cc2)c1 ZINC000436678392 383870970 /nfs/dbraw/zinc/87/09/70/383870970.db2.gz GWDGOTNPXLZYEJ-UHFFFAOYSA-N 0 1 294.310 2.913 20 30 CFEDMN C=CC[C@@H]1CCN(C(=O)Nc2cc(CN(C)C)ccn2)C1 ZINC000640577794 383834914 /nfs/dbraw/zinc/83/49/14/383834914.db2.gz ZUKOUDHLIWADNY-CYBMUJFWSA-N 0 1 288.395 2.573 20 30 CFEDMN CC(C)(O)CN(Cc1ccc(C#N)cc1Cl)C1CC1 ZINC000439429634 384035799 /nfs/dbraw/zinc/03/57/99/384035799.db2.gz IMPLVCUDJSOAHL-UHFFFAOYSA-N 0 1 278.783 2.947 20 30 CFEDMN COc1cc(CN[C@H](C)c2n[nH]c(C(C)C)n2)ccc1C#N ZINC000440614904 384114368 /nfs/dbraw/zinc/11/43/68/384114368.db2.gz NYGPLKLJUXZEIP-LLVKDONJSA-N 0 1 299.378 2.659 20 30 CFEDMN C=C(C)CN(CC)Cc1cnc(CCOC)s1 ZINC000637838301 384213247 /nfs/dbraw/zinc/21/32/47/384213247.db2.gz VAFYJFAELPOZCA-UHFFFAOYSA-N 0 1 254.399 2.730 20 30 CFEDMN CC#CC(=O)NC[C@@H](c1ccccc1Cl)N(CC)CC ZINC000277468271 384311574 /nfs/dbraw/zinc/31/15/74/384311574.db2.gz PJSDFWDKZJDFDU-HNNXBMFYSA-N 0 1 292.810 2.862 20 30 CFEDMN COc1ccc(CNCc2ccccc2N(C)C)cc1C#N ZINC000267046327 384287141 /nfs/dbraw/zinc/28/71/41/384287141.db2.gz OGOFNPBNCLAUBD-UHFFFAOYSA-N 0 1 295.386 2.923 20 30 CFEDMN OCCN(CC#Cc1ccc(C(F)(F)F)cc1)C1CC1 ZINC000267104043 384300442 /nfs/dbraw/zinc/30/04/42/384300442.db2.gz YUNPGDNNQGNUHP-UHFFFAOYSA-N 0 1 283.293 2.514 20 30 CFEDMN CC[C@@H](C)c1nc([C@H](C)Nc2ncccc2C#N)n[nH]1 ZINC000277438108 384300810 /nfs/dbraw/zinc/30/08/10/384300810.db2.gz OCTMALNIYOEPOX-ZJUUUORDSA-N 0 1 270.340 2.758 20 30 CFEDMN CC#CC[C@@H](CO)NCc1c(Cl)ccc2cccnc21 ZINC000641768023 384335522 /nfs/dbraw/zinc/33/55/22/384335522.db2.gz UNJQJVYNXUSSKQ-ZDUSSCGKSA-N 0 1 288.778 2.752 20 30 CFEDMN CC#CC[C@@H](CO)NCc1ccc(-c2ccc(F)cc2)o1 ZINC000641769299 384337275 /nfs/dbraw/zinc/33/72/75/384337275.db2.gz SBNNGEWPMKKEHV-HNNXBMFYSA-N 0 1 287.334 2.950 20 30 CFEDMN C#CCOc1ccccc1CNC1CC(F)(F)C1 ZINC000277678757 384371295 /nfs/dbraw/zinc/37/12/95/384371295.db2.gz PKCMIKCSFAKLCJ-UHFFFAOYSA-N 0 1 251.276 2.586 20 30 CFEDMN C#CCN(CC)Cc1cccc(C(=O)NCc2ccco2)c1 ZINC000267224176 384328869 /nfs/dbraw/zinc/32/88/69/384328869.db2.gz BFZJZBIUVLSMPZ-UHFFFAOYSA-N 0 1 296.370 2.665 20 30 CFEDMN CC#CC[C@H](CO)NCc1ccc(Oc2ccccc2)o1 ZINC000641767977 384334257 /nfs/dbraw/zinc/33/42/57/384334257.db2.gz STGQIRGXQPTZBL-CQSZACIVSA-N 0 1 285.343 2.936 20 30 CFEDMN C=C(C)CN1CCC(Nc2nc(CC)ns2)CC1 ZINC000267416907 384385742 /nfs/dbraw/zinc/38/57/42/384385742.db2.gz SUFQVJXDVCPJFJ-UHFFFAOYSA-N 0 1 266.414 2.553 20 30 CFEDMN Cc1nnc([C@@H](C)N=c2cc(C#N)c3ccccc3[nH]2)s1 ZINC000353279395 220305303 /nfs/dbraw/zinc/30/53/03/220305303.db2.gz YVQJIUFFJPCYEB-SECBINFHSA-N 0 1 295.371 2.861 20 30 CFEDMN C#CCn1ccc(CN(CC)CCC2CCCC2)n1 ZINC000279653759 384708641 /nfs/dbraw/zinc/70/86/41/384708641.db2.gz BTUUNQPMLRDENB-UHFFFAOYSA-N 0 1 259.397 2.919 20 30 CFEDMN COc1ccc(CN(CCO)Cc2ccccc2)cc1C#N ZINC000269672292 384829188 /nfs/dbraw/zinc/82/91/88/384829188.db2.gz BAEFXVPQPNFUKU-UHFFFAOYSA-N 0 1 296.370 2.561 20 30 CFEDMN C=C(C)CN(Cc1ccccc1)C(=O)[C@H]1CCCN1C ZINC000279888050 384801220 /nfs/dbraw/zinc/80/12/20/384801220.db2.gz HLSADVGCBDMBGP-MRXNPFEDSA-N 0 1 272.392 2.686 20 30 CFEDMN CCn1cc(CNC2(c3cccc(C#N)c3)CC2)cn1 ZINC000269604259 384802016 /nfs/dbraw/zinc/80/20/16/384802016.db2.gz JKZSOSKQTKQYEZ-UHFFFAOYSA-N 0 1 266.348 2.554 20 30 CFEDMN C=CCCCNC(=O)NC[C@H](c1ccsc1)N(C)C ZINC000280087218 384877675 /nfs/dbraw/zinc/87/76/75/384877675.db2.gz NIZJUAJMLJUTRA-CYBMUJFWSA-N 0 1 281.425 2.616 20 30 CFEDMN C=C[C@@H](CC(=O)NCCN1CC=CCC1)c1ccccc1 ZINC000280269825 384953275 /nfs/dbraw/zinc/95/32/75/384953275.db2.gz PEYGCADNZOYZKQ-INIZCTEOSA-N 0 1 284.403 2.724 20 30 CFEDMN N#Cc1ccncc1NC[C@@H](c1ccco1)N1CCCC1 ZINC000269925743 384907508 /nfs/dbraw/zinc/90/75/08/384907508.db2.gz BSPKRRNBUXIROX-HNNXBMFYSA-N 0 1 282.347 2.795 20 30 CFEDMN Cc1c(Cl)cnc(NCCN2CC=CCC2)c1C#N ZINC000280154801 384907665 /nfs/dbraw/zinc/90/76/65/384907665.db2.gz GCZLNCGYGFPWMO-UHFFFAOYSA-N 0 1 276.771 2.589 20 30 CFEDMN C#C[C@H](NCc1cc(C(=O)OC)c(C)o1)C(C)(C)C ZINC000289222586 197266986 /nfs/dbraw/zinc/26/69/86/197266986.db2.gz ACMUCAIXBNOZFV-ZDUSSCGKSA-N 0 1 263.337 2.512 20 30 CFEDMN C=C(C)CN[C@H](c1ccc(C)cc1)[C@@H](C)S(C)(=O)=O ZINC000280820828 385168206 /nfs/dbraw/zinc/16/82/06/385168206.db2.gz NJUIDZJKCUEDRQ-HIFRSBDPSA-N 0 1 281.421 2.635 20 30 CFEDMN COc1ccc(CN[C@H](C)c2n[nH]c(C(C)C)n2)cc1C#N ZINC000270750321 385214123 /nfs/dbraw/zinc/21/41/23/385214123.db2.gz YCMQIMQHOOWBER-LLVKDONJSA-N 0 1 299.378 2.659 20 30 CFEDMN C=C(Cl)CNCc1ccc(-c2cnn(C)c2)s1 ZINC000282262539 385265184 /nfs/dbraw/zinc/26/51/84/385265184.db2.gz NXCPVUUASCXDII-UHFFFAOYSA-N 0 1 267.785 2.991 20 30 CFEDMN C#CCCC[N@H+](CC)CC(=O)Nc1c(C)cccc1C ZINC000271004105 385298805 /nfs/dbraw/zinc/29/88/05/385298805.db2.gz GRQRKDGNDXQCMP-UHFFFAOYSA-N 0 1 272.392 2.977 20 30 CFEDMN CC(C)c1nc([C@@H](C)NC(=O)C2(C#N)CCCCC2)n[nH]1 ZINC000271161974 385357221 /nfs/dbraw/zinc/35/72/21/385357221.db2.gz RRBIRUKIFCJIED-LLVKDONJSA-N 0 1 289.383 2.579 20 30 CFEDMN C=C1CCN(Cc2ccccc2OCCOC)CC1 ZINC000271162452 385357969 /nfs/dbraw/zinc/35/79/69/385357969.db2.gz LRYDSPWJAZODKR-UHFFFAOYSA-N 0 1 261.365 2.864 20 30 CFEDMN C[C@H](NCc1ccc(OCC#N)cc1)c1cncs1 ZINC000271425026 385381198 /nfs/dbraw/zinc/38/11/98/385381198.db2.gz CLVKTRMJAMWHGO-NSHDSACASA-N 0 1 273.361 2.896 20 30 CFEDMN C#CC[C@H](NCc1ccnn1CCCOC)c1ccccc1 ZINC000282754541 385383164 /nfs/dbraw/zinc/38/31/64/385383164.db2.gz VHPQWSSIZIOIEC-SFHVURJKSA-N 0 1 297.402 2.774 20 30 CFEDMN CCN(CCC#N)C(=O)CN[C@H](C)c1ccc(F)c(C)c1 ZINC000271789464 385392904 /nfs/dbraw/zinc/39/29/04/385392904.db2.gz MPFKEYMNNDPDHM-CYBMUJFWSA-N 0 1 291.370 2.547 20 30 CFEDMN C=C(Cl)CN[C@H](C)[C@H](c1ccccc1)N1CCOCC1 ZINC000271967944 385413896 /nfs/dbraw/zinc/41/38/96/385413896.db2.gz WDBSKQMZHCSQIH-GDBMZVCRSA-N 0 1 294.826 2.791 20 30 CFEDMN C[C@@H](C#N)C(=O)Nc1ccc2nc([C@@H]3CCCO3)[nH]c2c1 ZINC000347070067 533120849 /nfs/dbraw/zinc/12/08/49/533120849.db2.gz NTPLUUCZZQMQLN-ZANVPECISA-N 0 1 284.319 2.513 20 30 CFEDMN CCC[C@]1(CO)CCN(Cc2cc(C#N)ccc2F)C1 ZINC000288905192 197189710 /nfs/dbraw/zinc/18/97/10/197189710.db2.gz SXBGLEYQVPGQPP-INIZCTEOSA-N 0 1 276.355 2.682 20 30 CFEDMN C=CCN1CC[C@H](N[C@H](C)c2ccccc2SC)C1=O ZINC000283397430 385461893 /nfs/dbraw/zinc/46/18/93/385461893.db2.gz FGJNZILGFUUUEF-OCCSQVGLSA-N 0 1 290.432 2.846 20 30 CFEDMN C=CC[N@@H+](Cc1cc(=O)oc2cc([O-])ccc12)C1CC1 ZINC000272322308 385510074 /nfs/dbraw/zinc/51/00/74/385510074.db2.gz ZAKCCCJUGYRRPW-UHFFFAOYSA-N 0 1 271.316 2.649 20 30 CFEDMN C=CC[N@H+](Cc1cc(=O)oc2cc([O-])ccc12)C1CC1 ZINC000272322308 385510078 /nfs/dbraw/zinc/51/00/78/385510078.db2.gz ZAKCCCJUGYRRPW-UHFFFAOYSA-N 0 1 271.316 2.649 20 30 CFEDMN C=CC[N@H+](Cc1cccs1)C[C@H]1CCc2ncnn21 ZINC000639436141 385526067 /nfs/dbraw/zinc/52/60/67/385526067.db2.gz WXUDVIBFKBAELC-GFCCVEGCSA-N 0 1 274.393 2.515 20 30 CFEDMN C=CCN(Cc1cccs1)C[C@H]1CCc2ncnn21 ZINC000639436141 385526070 /nfs/dbraw/zinc/52/60/70/385526070.db2.gz WXUDVIBFKBAELC-GFCCVEGCSA-N 0 1 274.393 2.515 20 30 CFEDMN Cc1cccc(CN2CCN(c3ccnc(C#N)c3)CC2)c1 ZINC000285521812 385556280 /nfs/dbraw/zinc/55/62/80/385556280.db2.gz GRNCGEVVEANFNB-UHFFFAOYSA-N 0 1 292.386 2.584 20 30 CFEDMN CN(Cc1cn2ccccc2c1C#N)C[C@H]1CCCC[C@H]1O ZINC000272628621 385579311 /nfs/dbraw/zinc/57/93/11/385579311.db2.gz ZNDJUBHZJFBABJ-RDTXWAMCSA-N 0 1 297.402 2.794 20 30 CFEDMN C=CCS(=O)(=O)CCNCc1ccc2ccccc2c1 ZINC000272795845 385617731 /nfs/dbraw/zinc/61/77/31/385617731.db2.gz CXPWFJUYSKYONH-UHFFFAOYSA-N 0 1 289.400 2.530 20 30 CFEDMN CN(c1nc(Cl)c(C#N)s1)C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000286428902 385617976 /nfs/dbraw/zinc/61/79/76/385617976.db2.gz QKMMNDAAHITRMF-ULKQDVFKSA-N 0 1 296.827 2.730 20 30 CFEDMN C=C(C)C[C@H](C)C(=O)Nc1ccn(-c2ccncc2)n1 ZINC000274318136 385764925 /nfs/dbraw/zinc/76/49/25/385764925.db2.gz FOXWEVKNXSMDHX-LBPRGKRZSA-N 0 1 270.336 2.808 20 30 CFEDMN C#CCCN1CCN(Cc2nc(Cl)ccc2Cl)CC1 ZINC000274347436 385773158 /nfs/dbraw/zinc/77/31/58/385773158.db2.gz WBGXVJLXOMATTA-UHFFFAOYSA-N 0 1 298.217 2.529 20 30 CFEDMN CCC#C[C@H](C)N1CCC(O)(Cc2nc(C)cs2)CC1 ZINC000639810436 385720752 /nfs/dbraw/zinc/72/07/52/385720752.db2.gz TZYAZZBEZRBYID-AWEZNQCLSA-N 0 1 292.448 2.623 20 30 CFEDMN C#CCN(C/C=C/c1ccccc1[N+](=O)[O-])C1CC1 ZINC000274128840 385724433 /nfs/dbraw/zinc/72/44/33/385724433.db2.gz OSLFEFDPYNTLKG-FNORWQNLSA-N 0 1 256.305 2.706 20 30 CFEDMN CC#CCCCC(=O)Nc1cc(C(C)=O)ccc1O ZINC000274516395 385816655 /nfs/dbraw/zinc/81/66/55/385816655.db2.gz OGIZJWRTTKOYEK-UHFFFAOYSA-N 0 1 259.305 2.727 20 30 CFEDMN C=C1CC(C)(C(=O)Nc2nc(-c3ccc(C)o3)n[nH]2)C1 ZINC000639964647 385796961 /nfs/dbraw/zinc/79/69/61/385796961.db2.gz KOBJCRHJUBZYRN-UHFFFAOYSA-N 0 1 272.308 2.668 20 30 CFEDMN C=C(C)CCN1CCN([C@H](C)c2nccs2)CC1 ZINC000274847104 385882937 /nfs/dbraw/zinc/88/29/37/385882937.db2.gz QDRAMELNHKSMET-CYBMUJFWSA-N 0 1 265.426 2.788 20 30 CFEDMN Cn1cc(CNC2(c3cccc(C#N)c3)CC2)cc1C#N ZINC000276641663 385999447 /nfs/dbraw/zinc/99/94/47/385999447.db2.gz QZWGCXWBJJWBGB-UHFFFAOYSA-N 0 1 276.343 2.547 20 30 CFEDMN C=C(C)CCN1CCN(C(=O)C(CC)CC)CC1 ZINC000681401124 542448737 /nfs/dbraw/zinc/44/87/37/542448737.db2.gz NVTUTPVMXCZCHF-UHFFFAOYSA-N 0 1 252.402 2.533 20 30 CFEDMN C#CCOc1ccccc1CNCc1cnn(C(C)C)c1 ZINC000265204535 533197762 /nfs/dbraw/zinc/19/77/62/533197762.db2.gz QKFPWISRQAMXTE-UHFFFAOYSA-N 0 1 283.375 2.766 20 30 CFEDMN C=CCN1CC[C@H](N(C)Cc2ccc(C)c(C)c2)C1=O ZINC000281291935 195184803 /nfs/dbraw/zinc/18/48/03/195184803.db2.gz PEPYFMFQBQLSKM-INIZCTEOSA-N 0 1 272.392 2.522 20 30 CFEDMN C=CCN1CC[C@@H](N2CCC(c3ccsc3)CC2)C1=O ZINC000281397251 195224888 /nfs/dbraw/zinc/22/48/88/195224888.db2.gz QENXOZMHVLMTEF-OAHLLOKOSA-N 0 1 290.432 2.714 20 30 CFEDMN CC[C@H](C#N)NC(=O)c1cn[nH]c1-c1ccc(Cl)s1 ZINC000188886115 262163482 /nfs/dbraw/zinc/16/34/82/262163482.db2.gz QQXNDVXFKGDAQQ-SSDOTTSWSA-N 0 1 294.767 2.824 20 30 CFEDMN C#CCNC(=O)[C@H](C)Sc1nc(C)c(-c2ccccc2)[nH]1 ZINC000187137279 260026572 /nfs/dbraw/zinc/02/65/72/260026572.db2.gz AYKLXQLIYAAUOG-LBPRGKRZSA-N 0 1 299.399 2.615 20 30 CFEDMN C=CC[C@@H](CC)NC(=O)c1cccc(-c2nnc[nH]2)c1 ZINC000281630261 195315584 /nfs/dbraw/zinc/31/55/84/195315584.db2.gz GOYYYXAVNNKCLP-CYBMUJFWSA-N 0 1 270.336 2.556 20 30 CFEDMN C[C@@H](NC1(c2cccc(C#N)c2)CC1)c1cn[nH]c1 ZINC000283884289 195936791 /nfs/dbraw/zinc/93/67/91/195936791.db2.gz FPURINYVWNCNNW-LLVKDONJSA-N 0 1 252.321 2.621 20 30 CFEDMN CCCN(CCC)C(=O)CNC1(c2cccc(C#N)c2)CC1 ZINC000341952132 130156367 /nfs/dbraw/zinc/15/63/67/130156367.db2.gz ONXAFPVUEMWBNZ-UHFFFAOYSA-N 0 1 299.418 2.786 20 30 CFEDMN Cn1cc(CNCc2ccc(OC(C)(C)C)nc2)cc1C#N ZINC000191573687 130257361 /nfs/dbraw/zinc/25/73/61/130257361.db2.gz AGBCADBTGOFCII-UHFFFAOYSA-N 0 1 298.390 2.759 20 30 CFEDMN CC[C@@H]1CN(Cc2ccc(C#N)cc2C(F)(F)F)C[C@@H]1O ZINC000356133284 130378136 /nfs/dbraw/zinc/37/81/36/130378136.db2.gz WIWBYGVLQQLMCK-RISCZKNCSA-N 0 1 298.308 2.780 20 30 CFEDMN CCN(C(=O)c1cnc[nH]1)[C@H](C)c1ccc(C#N)cc1 ZINC000264618279 131477598 /nfs/dbraw/zinc/47/75/98/131477598.db2.gz KELILCCEDXNHBS-LLVKDONJSA-N 0 1 268.320 2.505 20 30 CFEDMN N#Cc1cc(CN2CCC(c3ncc[nH]3)CC2)ccc1F ZINC000268201223 131977060 /nfs/dbraw/zinc/97/70/60/131977060.db2.gz HYTWUBNFUGEBHB-UHFFFAOYSA-N 0 1 284.338 2.800 20 30 CFEDMN C=C[C@H]1CCCCN1C(=O)Nc1cnn(-c2ccncc2)c1 ZINC000683788400 542725603 /nfs/dbraw/zinc/72/56/03/542725603.db2.gz IDLCOTKDZRHQAD-AWEZNQCLSA-N 0 1 297.362 2.840 20 30 CFEDMN COCC#CCN1CCC(F)(c2ccccc2)CC1 ZINC000683998858 542754861 /nfs/dbraw/zinc/75/48/61/542754861.db2.gz URKIHEDDUJDQIG-UHFFFAOYSA-N 0 1 261.340 2.597 20 30 CFEDMN CCN(CC(=O)N[C@H](C#N)c1ccccc1Cl)C1CC1 ZINC000179172168 393455262 /nfs/dbraw/zinc/45/52/62/393455262.db2.gz UOXRZCNTQZBMRP-CQSZACIVSA-N 0 1 291.782 2.505 20 30 CFEDMN C#CCN(CC)C[C@@H](O)c1ccccc1C(F)(F)F ZINC000299157129 393460163 /nfs/dbraw/zinc/46/01/63/393460163.db2.gz JICFFYXLWFPAOD-CYBMUJFWSA-N 0 1 271.282 2.694 20 30 CFEDMN Cc1cc(C#N)ccc1CN1CCN(c2ccccn2)CC1 ZINC000186091257 393540526 /nfs/dbraw/zinc/54/05/26/393540526.db2.gz SHPYNRQGYGJJDF-UHFFFAOYSA-N 0 1 292.386 2.584 20 30 CFEDMN CCC(CC)NC(=O)[C@@H](C)N[C@H](C)c1ccc(C#N)cc1 ZINC000037502327 393532207 /nfs/dbraw/zinc/53/22/07/393532207.db2.gz MPINALICWWGYLZ-CHWSQXEVSA-N 0 1 287.407 2.902 20 30 CFEDMN CCc1nc([C@H](C)NC(=O)[C@@H]2CC(=O)N[C@@H](CC)C2)n[nH]1 ZINC000329435095 393534742 /nfs/dbraw/zinc/53/47/42/393534742.db2.gz LPOULXWJVVEQDJ-GUBZILKMSA-N 0 1 293.371 2.530 20 30 CFEDMN O=C(Nc1ccc2[nH]nnc2c1)[C@H]1CCCSC1 ZINC000329453028 393536012 /nfs/dbraw/zinc/53/60/12/393536012.db2.gz DBIBLRMQHYNCJI-QMMMGPOBSA-N 0 1 262.338 2.689 20 30 CFEDMN N#Cc1ccc(C(=O)Nc2ccc3cc[nH]c3c2)cc1O ZINC000194806351 393717372 /nfs/dbraw/zinc/71/73/72/393717372.db2.gz HZVZZBDFZSJTCZ-UHFFFAOYSA-N 0 1 277.283 2.997 20 30 CFEDMN C=CCCN[C@H](C)c1nc(C)c(C(=O)OCC)s1 ZINC000338572050 393792369 /nfs/dbraw/zinc/79/23/69/393792369.db2.gz RHAZPLKLEDAGEU-SNVBAGLBSA-N 0 1 268.382 2.855 20 30 CFEDMN C[C@H](NCCOCCC#N)c1c(F)cccc1F ZINC000339064837 393814225 /nfs/dbraw/zinc/81/42/25/393814225.db2.gz FIKDVVCATKRYGX-JTQLQIEISA-N 0 1 254.280 2.546 20 30 CFEDMN COCC1(C#N)CCN(CC2=Cc3ccccc3OC2)CC1 ZINC000342822892 393871095 /nfs/dbraw/zinc/87/10/95/393871095.db2.gz UPYKRVVQMXAMES-UHFFFAOYSA-N 0 1 298.386 2.715 20 30 CFEDMN CCC(=O)N[C@@H]1CCCN([C@@H](C)c2ccc(C#N)cc2)C1 ZINC000118395572 393911344 /nfs/dbraw/zinc/91/13/44/393911344.db2.gz OUUUWRDIDUUIOU-XJKSGUPXSA-N 0 1 285.391 2.610 20 30 CFEDMN Cc1cc(C[N@@H+]2CCC[C@H](C)[C@@H]2C(=O)[O-])ccc1C#N ZINC000424424748 393846008 /nfs/dbraw/zinc/84/60/08/393846008.db2.gz XBHKNIXOPIAGCK-XHDPSFHLSA-N 0 1 272.348 2.552 20 30 CFEDMN N#CC1(F)CCN(Cc2cc(-n3ccnc3)cs2)CC1 ZINC000348713558 393957693 /nfs/dbraw/zinc/95/76/93/393957693.db2.gz LOGDFTOOASAUFI-UHFFFAOYSA-N 0 1 290.367 2.761 20 30 CFEDMN COc1cc(C)c(CN2CCC(C#N)CC2)cc1OC ZINC000352954218 394023028 /nfs/dbraw/zinc/02/30/28/394023028.db2.gz DRQNFBYHBZTTNQ-UHFFFAOYSA-N 0 1 274.364 2.748 20 30 CFEDMN C[C@H](N[C@@H]1CC[C@@H](C#N)C1)c1nc2c(s1)CCC2 ZINC000349312756 393967464 /nfs/dbraw/zinc/96/74/64/393967464.db2.gz MZXKDCXJYGXIMD-HBNTYKKESA-N 0 1 261.394 2.975 20 30 CFEDMN CCN(CC(=O)NC(C)(C)C)[C@@H](C)c1ccc(C#N)cc1 ZINC000125772425 394013202 /nfs/dbraw/zinc/01/32/02/394013202.db2.gz YVLSARPQXRTMKS-ZDUSSCGKSA-N 0 1 287.407 2.856 20 30 CFEDMN C#C[C@@H](CC)NCc1cn(-c2ccccc2)nc1C ZINC000491674214 394055668 /nfs/dbraw/zinc/05/56/68/394055668.db2.gz KCSZETNCLYJDJO-HNNXBMFYSA-N 0 1 253.349 2.682 20 30 CFEDMN Cc1cc(C#N)ccc1C(=O)Nc1cc(CN(C)C)ccn1 ZINC000128139958 394064093 /nfs/dbraw/zinc/06/40/93/394064093.db2.gz CFTGCYCSSMENER-UHFFFAOYSA-N 0 1 294.358 2.576 20 30 CFEDMN CO[C@@H]1CCN(Cc2ccc(F)c(C#N)c2)[C@H](C)C1 ZINC000281852132 394084300 /nfs/dbraw/zinc/08/43/00/394084300.db2.gz ZHRKBNMINMYXNJ-BXUZGUMPSA-N 0 1 262.328 2.697 20 30 CFEDMN C[C@H]1CCC[C@H](CO)N1Cc1ccc(C#N)cc1Cl ZINC000439444147 394115781 /nfs/dbraw/zinc/11/57/81/394115781.db2.gz AQXKDBHWZHLLOM-SMDDNHRTSA-N 0 1 278.783 2.947 20 30 CFEDMN C=C(C)Cn1c(C(C)C)nnc1N1CCC[N@H+](CC)CC1 ZINC000358944753 394116397 /nfs/dbraw/zinc/11/63/97/394116397.db2.gz YJHRSVLXAIQSMY-UHFFFAOYSA-N 0 1 291.443 2.510 20 30 CFEDMN CCN1C[C@@H](C)N(C(=O)/C=C/c2cccc(C#N)c2)[C@@H](C)C1 ZINC000493086852 394143785 /nfs/dbraw/zinc/14/37/85/394143785.db2.gz FMFCRSXMFWODFB-WNJITKBNSA-N 0 1 297.402 2.513 20 30 CFEDMN N#Cc1ccc(F)cc1CN1CCC[C@H](CCO)CC1 ZINC000421005845 394153663 /nfs/dbraw/zinc/15/36/63/394153663.db2.gz AMPXEGMQRZMFIO-ZDUSSCGKSA-N 0 1 276.355 2.682 20 30 CFEDMN CC(C)Cn1cc(CNCc2ccc(C#N)s2)cn1 ZINC000421355472 394197264 /nfs/dbraw/zinc/19/72/64/394197264.db2.gz ZMKZSQGRLBSXMC-UHFFFAOYSA-N 0 1 274.393 2.762 20 30 CFEDMN CC(C)(C)n1cc(CNCc2ccc(C#N)s2)cn1 ZINC000421357108 394197963 /nfs/dbraw/zinc/19/79/63/394197963.db2.gz ZFRXNUCYQOCTHP-UHFFFAOYSA-N 0 1 274.393 2.861 20 30 CFEDMN Cc1cc(CNCc2ccc(C#N)cc2F)cc(C)n1 ZINC000421382443 394213280 /nfs/dbraw/zinc/21/32/80/394213280.db2.gz NQDPKTQZPRWWHN-UHFFFAOYSA-N 0 1 269.323 2.999 20 30 CFEDMN C[C@H]1CN(c2cc(Cl)ccc2C#N)C[C@H](C)N1C ZINC000135265290 394215456 /nfs/dbraw/zinc/21/54/56/394215456.db2.gz KWOJPXQGSYKTQI-QWRGUYRKSA-N 0 1 263.772 2.740 20 30 CFEDMN C[C@H]1CC[C@@H](C[N@H+]2CCCN(c3ccc(C#N)cc3)CC2)O1 ZINC000365072157 394226474 /nfs/dbraw/zinc/22/64/74/394226474.db2.gz OPSNHFZBLQAGFR-YJBOKZPZSA-N 0 1 299.418 2.638 20 30 CFEDMN N#Cc1ccc(CN2CCC(n3cccn3)CC2)cc1F ZINC000365232426 394229615 /nfs/dbraw/zinc/22/96/15/394229615.db2.gz CSGRRJBWYDNJRH-UHFFFAOYSA-N 0 1 284.338 2.731 20 30 CFEDMN CC(C)N(Cc1cn2ccccc2c1C#N)[C@H]1CCOC1 ZINC000291948609 394269472 /nfs/dbraw/zinc/26/94/72/394269472.db2.gz UMLPHUHQQFWUGP-HNNXBMFYSA-N 0 1 283.375 2.810 20 30 CFEDMN C=CC[N@@H+](C)Cc1cc(Br)ccc1[O-] ZINC000154765340 394301412 /nfs/dbraw/zinc/30/14/12/394301412.db2.gz HKDITOHLQKNRQQ-UHFFFAOYSA-N 0 1 256.143 2.773 20 30 CFEDMN C=CC[N@H+](C)Cc1cc(Br)ccc1[O-] ZINC000154765340 394301416 /nfs/dbraw/zinc/30/14/16/394301416.db2.gz HKDITOHLQKNRQQ-UHFFFAOYSA-N 0 1 256.143 2.773 20 30 CFEDMN N#Cc1cccc(N2CCN(CC3=CCCCC3)CC2)n1 ZINC000450748765 394334208 /nfs/dbraw/zinc/33/42/08/394334208.db2.gz VJMVYWLAACDZAK-UHFFFAOYSA-N 0 1 282.391 2.576 20 30 CFEDMN C#CCCN[C@@H](c1cccc(OC)c1)c1ccccn1 ZINC000372165949 394307304 /nfs/dbraw/zinc/30/73/04/394307304.db2.gz AWDVENBWLYHHRW-KRWDZBQOSA-N 0 1 266.344 2.793 20 30 CFEDMN CC#CCCN1CCN(Cc2ccc(OCC)cc2)CC1 ZINC000155033562 394308896 /nfs/dbraw/zinc/30/88/96/394308896.db2.gz XACVKALKZYBUOY-UHFFFAOYSA-N 0 1 286.419 2.616 20 30 CFEDMN N#Cc1ccc([C@H](C(N)=O)N2CCC3(CCCC3)CC2)cc1 ZINC000158353181 394356921 /nfs/dbraw/zinc/35/69/21/394356921.db2.gz AQKTZMWROCURAM-MRXNPFEDSA-N 0 1 297.402 2.741 20 30 CFEDMN N#Cc1ccc([C@@H](C(N)=O)N2CCC3(CCCC3)CC2)cc1 ZINC000158353038 394357061 /nfs/dbraw/zinc/35/70/61/394357061.db2.gz AQKTZMWROCURAM-INIZCTEOSA-N 0 1 297.402 2.741 20 30 CFEDMN C=CC[C@@H](CC)NC(=O)Nc1cnn(-c2ccncc2)c1 ZINC000685010358 542886936 /nfs/dbraw/zinc/88/69/36/542886936.db2.gz DLCPYGAZCDEPRO-GFCCVEGCSA-N 0 1 285.351 2.744 20 30 CFEDMN COC(=O)c1cccc(CN2CC[C@@H](C)[C@H](C)C2)c1C#N ZINC000535756065 394542687 /nfs/dbraw/zinc/54/26/87/394542687.db2.gz QPQFYPKBAUKQFW-CHWSQXEVSA-N 0 1 286.375 2.823 20 30 CFEDMN Cc1ccccc1[C@@H](CO)NCc1ccc(F)c(C#N)c1 ZINC000543839476 394745221 /nfs/dbraw/zinc/74/52/21/394745221.db2.gz NNKYMQVKGVVTOE-QGZVFWFLSA-N 0 1 284.334 2.829 20 30 CFEDMN C=C[C@@H]1OCCC[C@H]1N[C@H](C)c1cc2n(n1)CCCC2 ZINC000647305876 395282195 /nfs/dbraw/zinc/28/21/95/395282195.db2.gz DTZICFVJYNCCNT-XPKDYRNWSA-N 0 1 275.396 2.604 20 30 CFEDMN C=CCOc1cccc(C[N@@H+]2CC[C@H](C)[C@@H](C(=O)[O-])C2)c1 ZINC000647460669 395342698 /nfs/dbraw/zinc/34/26/98/395342698.db2.gz HJRAQMPAOKTPDS-BBRMVZONSA-N 0 1 289.375 2.794 20 30 CFEDMN C=CCCCCN1CCN(C(=O)C(CC)CC)CC1 ZINC000649223837 395454514 /nfs/dbraw/zinc/45/45/14/395454514.db2.gz GGXSTXUXVOVMLY-UHFFFAOYSA-N 0 1 266.429 2.923 20 30 CFEDMN C=C(C)[C@H](CO)Sc1nc2ccc(OCC)cc2[nH]1 ZINC000649397269 395485431 /nfs/dbraw/zinc/48/54/31/395485431.db2.gz CMOKCDSTRIQXSU-ZDUSSCGKSA-N 0 1 278.377 2.991 20 30 CFEDMN C=CCC(CC=C)C(=O)N1[C@H](C)CN(C)[C@@H](C)[C@@H]1C ZINC000650153036 395617326 /nfs/dbraw/zinc/61/73/26/395617326.db2.gz NXNRWZNMZKXICG-RDBSUJKOSA-N 0 1 264.413 2.694 20 30 CFEDMN C=CCC(CC=C)C(=O)N1[C@H](C)CN(C)[C@H](C)[C@H]1C ZINC000650153035 395617624 /nfs/dbraw/zinc/61/76/24/395617624.db2.gz NXNRWZNMZKXICG-MGPQQGTHSA-N 0 1 264.413 2.694 20 30 CFEDMN C=CCC[C@@H](O)CN1CCN(c2ccccc2F)C[C@H]1C ZINC000191633413 543079849 /nfs/dbraw/zinc/07/98/49/543079849.db2.gz USBKAHSQDHWKOW-HUUCEWRRSA-N 0 1 292.398 2.663 20 30 CFEDMN C=CCOCCNCc1cccc(Br)c1F ZINC000394900072 397553304 /nfs/dbraw/zinc/55/33/04/397553304.db2.gz BXHJXZCLOVHAQS-UHFFFAOYSA-N 0 1 288.160 2.880 20 30 CFEDMN COC[C@H]1CCCCN1Cc1cc(C#N)ccc1F ZINC000307764064 397645406 /nfs/dbraw/zinc/64/54/06/397645406.db2.gz LBBPODBBEKOHBA-CQSZACIVSA-N 0 1 262.328 2.698 20 30 CFEDMN COCC#CCN1CCC[C@@H]1c1ccc(F)cc1C ZINC000650269565 397740516 /nfs/dbraw/zinc/74/05/16/397740516.db2.gz VXDQKEFWMCUDJK-MRXNPFEDSA-N 0 1 261.340 2.921 20 30 CFEDMN C[C@H](O)[C@@H]1CCN(Cc2ccc(C#N)cc2C(F)(F)F)C1 ZINC000356436369 155265909 /nfs/dbraw/zinc/26/59/09/155265909.db2.gz YHFTVZMVDQJRRY-CMPLNLGQSA-N 0 1 298.308 2.780 20 30 CFEDMN CC[C@@H](CO)N(Cc1ccc(C#N)o1)Cc1ccccc1 ZINC000348183860 154352128 /nfs/dbraw/zinc/35/21/28/154352128.db2.gz DWPBWYOUNZSQQD-HNNXBMFYSA-N 0 1 284.359 2.924 20 30 CFEDMN Cc1cc(CN2C[C@H](C)OC(C)(C)C2)ccc1C#N ZINC000362936090 156119812 /nfs/dbraw/zinc/11/98/12/156119812.db2.gz SZNVQIVTYPQJMT-ZDUSSCGKSA-N 0 1 258.365 2.866 20 30 CFEDMN N#Cc1ccc(NC(=O)CN2C[C@@H]3CCCCC[C@H]32)cc1 ZINC000363037498 156143808 /nfs/dbraw/zinc/14/38/08/156143808.db2.gz GSZIABKBIAXKCT-GOEBONIOSA-N 0 1 283.375 2.761 20 30 CFEDMN CCc1nc([C@H]2CCCN(Cc3cccc(C#N)c3)C2)no1 ZINC000363103244 156147623 /nfs/dbraw/zinc/14/76/23/156147623.db2.gz FKLXCHPHTHEYNL-HNNXBMFYSA-N 0 1 296.374 2.883 20 30 CFEDMN CC1(C)CN(Cc2ccc(F)c(C#N)c2)CCCO1 ZINC000363944658 156208847 /nfs/dbraw/zinc/20/88/47/156208847.db2.gz MZAOAZMDJJZFGR-UHFFFAOYSA-N 0 1 262.328 2.698 20 30 CFEDMN CCC[C@@]1(CO)CCN(Cc2cn3ccccc3c2C#N)C1 ZINC000367355793 156318529 /nfs/dbraw/zinc/31/85/29/156318529.db2.gz GRAAGJYJBMJSLR-GOSISDBHSA-N 0 1 297.402 2.795 20 30 CFEDMN N#Cc1ccc(CN2CCC[C@@H](c3ccncn3)C2)s1 ZINC000367475435 156337516 /nfs/dbraw/zinc/33/75/16/156337516.db2.gz XQYGFWDEISVWJF-GFCCVEGCSA-N 0 1 284.388 2.789 20 30 CFEDMN N#Cc1ccc(CN2CCC[C@]3(CCCCO3)C2)o1 ZINC000376030138 157316471 /nfs/dbraw/zinc/31/64/71/157316471.db2.gz RGFFBBICELYMKA-OAHLLOKOSA-N 0 1 260.337 2.686 20 30 CFEDMN C=CCCn1cc(CNCCc2ccc(Cl)cc2)nn1 ZINC000657286393 413395026 /nfs/dbraw/zinc/39/50/26/413395026.db2.gz MTNKAAQTXBYESU-UHFFFAOYSA-N 0 1 290.798 2.840 20 30 CFEDMN C=CCCn1cc(CNCCCOC2CCCCC2)nn1 ZINC000657297856 413414582 /nfs/dbraw/zinc/41/45/82/413414582.db2.gz PBWXDFQGMGFGDV-UHFFFAOYSA-N 0 1 292.427 2.683 20 30 CFEDMN C=CCCn1cc(CN[C@H]2C[C@H](OC)C2(CC)CC)nn1 ZINC000653642573 413422551 /nfs/dbraw/zinc/42/25/51/413422551.db2.gz KJKNLGYWELLSNT-GJZGRUSLSA-N 0 1 292.427 2.538 20 30 CFEDMN N#Cc1ccc(CN[C@H](CO)c2cccc(F)c2)cc1 ZINC000344319476 162008893 /nfs/dbraw/zinc/00/88/93/162008893.db2.gz QQRJWYKSCNBLDL-MRXNPFEDSA-N 0 1 270.307 2.521 20 30 CFEDMN Cc1ccsc1[C@H](CO)NCc1cc(C#N)cs1 ZINC000344713080 162104574 /nfs/dbraw/zinc/10/45/74/162104574.db2.gz POKRNRWGAIXVBA-LBPRGKRZSA-N 0 1 278.402 2.813 20 30 CFEDMN CCN1C[C@@H](C)N(c2ccc(C#N)cc2F)C[C@@H]1C ZINC000345173410 162195438 /nfs/dbraw/zinc/19/54/38/162195438.db2.gz MYDVILUMTDIHNX-NWDGAFQWSA-N 0 1 261.344 2.616 20 30 CFEDMN C[C@@H](NCc1ccc(C(N)=O)cc1)c1ccc(C#N)c(F)c1 ZINC000346070624 162311182 /nfs/dbraw/zinc/31/11/82/162311182.db2.gz OBIYEIHEBJFVOK-LLVKDONJSA-N 0 1 297.333 2.647 20 30 CFEDMN Cc1c(CN[C@@H](C)c2ccc(C#N)c(F)c2)cnn1C ZINC000346146505 162332106 /nfs/dbraw/zinc/33/21/06/162332106.db2.gz BTOTZZGITZCIMM-JTQLQIEISA-N 0 1 272.327 2.590 20 30 CFEDMN C=CCCn1cc(CN(C)[C@H](C)CCCC)nn1 ZINC000653684816 413449697 /nfs/dbraw/zinc/44/96/97/413449697.db2.gz BKBMMSLEADHBBL-CYBMUJFWSA-N 0 1 250.390 2.865 20 30 CFEDMN CCC1(CC)[C@H](OC)C[C@@H]1NCc1nc(C#N)cs1 ZINC000352811266 163238471 /nfs/dbraw/zinc/23/84/71/163238471.db2.gz RKSACPCYCPQCQD-NWDGAFQWSA-N 0 1 279.409 2.698 20 30 CFEDMN N#Cc1csc(CNCC2(c3cccc(F)c3)CC2)n1 ZINC000352819337 163240753 /nfs/dbraw/zinc/24/07/53/163240753.db2.gz ASNJKMRDDZFEDH-UHFFFAOYSA-N 0 1 287.363 2.975 20 30 CFEDMN C[C@@H]1CC(C)(C)C[C@@](CO)(NCc2nc(C#N)cs2)C1 ZINC000352841655 163249393 /nfs/dbraw/zinc/24/93/93/163249393.db2.gz VBUPAKJHFMPTHP-ABAIWWIYSA-N 0 1 293.436 2.682 20 30 CFEDMN CCCCCN(CCO)Cc1cccc(C#N)c1F ZINC000352893331 163264009 /nfs/dbraw/zinc/26/40/09/163264009.db2.gz NVBHOGZBZTTZES-UHFFFAOYSA-N 0 1 264.344 2.682 20 30 CFEDMN CCn1nc(C)c(CNCc2ccc(C#N)c(OC)c2)c1C ZINC000353198414 163314654 /nfs/dbraw/zinc/31/46/54/163314654.db2.gz ZVDFEFPQSFEVSV-UHFFFAOYSA-N 0 1 298.390 2.690 20 30 CFEDMN C[C@H](NCc1ccc(C#N)cc1F)c1ccncc1 ZINC000035693451 172362381 /nfs/dbraw/zinc/36/23/81/172362381.db2.gz RDRSZRKBCWQBSH-NSHDSACASA-N 0 1 255.296 2.943 20 30 CFEDMN Cc1ccc(CN(C)C[C@@H](O)c2ccc(C#N)cc2)o1 ZINC000035699730 172368414 /nfs/dbraw/zinc/36/84/14/172368414.db2.gz QTUFIRVHNWFTNP-MRXNPFEDSA-N 0 1 270.332 2.625 20 30 CFEDMN C=CCCn1cc(CNC[C@H](C)c2nc(C)cs2)nn1 ZINC000657432600 413597663 /nfs/dbraw/zinc/59/76/63/413597663.db2.gz HYLGKXPVIWMHKY-NSHDSACASA-N 0 1 291.424 2.512 20 30 CFEDMN C=CC[C@H]1CCCC[C@H]1NC(=O)NCC[N@H+](C)C1CC1 ZINC000660841600 413614220 /nfs/dbraw/zinc/61/42/20/413614220.db2.gz QLQNRJWCMAKFIW-DZGCQCFKSA-N 0 1 279.428 2.515 20 30 CFEDMN C=CC[C@@H]1CCCC[C@@H]1NC(=O)N[C@@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000660858006 413618946 /nfs/dbraw/zinc/61/89/46/413618946.db2.gz AMAAJMCWTSLZCU-JJXSEGSLSA-N 0 1 293.455 2.903 20 30 CFEDMN C=CCOCCCNc1cc[nH+]c2c([O-])cccc12 ZINC000664387121 413727082 /nfs/dbraw/zinc/72/70/82/413727082.db2.gz CLLBBGZOJXLMAS-UHFFFAOYSA-N 0 1 258.321 2.945 20 30 CFEDMN C=CC[C@@H]1CCCN(C(=O)N[C@H]2CCCc3cn[nH]c32)C1 ZINC000664471521 413791604 /nfs/dbraw/zinc/79/16/04/413791604.db2.gz UAZLYGKEWURQQQ-OCCSQVGLSA-N 0 1 288.395 2.785 20 30 CFEDMN C=CCCC(C)(C)NC(=O)N[C@@H](C)Cc1cc(C)[nH]n1 ZINC000664477003 413793044 /nfs/dbraw/zinc/79/30/44/413793044.db2.gz GWXKRRQGJAGYRW-NSHDSACASA-N 0 1 278.400 2.693 20 30 CFEDMN CN(CC#Cc1ccccc1)[C@H](CO)Cc1ccccc1 ZINC000661091100 413747885 /nfs/dbraw/zinc/74/78/85/413747885.db2.gz FSCXJSIXSNYXIT-IBGZPJMESA-N 0 1 279.383 2.574 20 30 CFEDMN C#CCN[C@@H](CCO)c1ccc(Cl)c(Cl)c1 ZINC000285495964 196303980 /nfs/dbraw/zinc/30/39/80/196303980.db2.gz IYTDFGMIISPARW-LBPRGKRZSA-N 0 1 258.148 2.640 20 30 CFEDMN C=CCN(Cc1ccc(Br)cn1)[C@@H](C)COC ZINC000661240927 413839944 /nfs/dbraw/zinc/83/99/44/413839944.db2.gz TUXNGILKJXXOPV-NSHDSACASA-N 0 1 299.212 2.867 20 30 CFEDMN C=CCN(Cc1ccc(Cl)cn1)[C@@H](C)COC ZINC000661239361 413840854 /nfs/dbraw/zinc/84/08/54/413840854.db2.gz KOPUTUZTADKHRQ-NSHDSACASA-N 0 1 254.761 2.758 20 30 CFEDMN C=CCN(CCC(=O)c1ccccc1)[C@H](C)COC ZINC000661240265 413841091 /nfs/dbraw/zinc/84/10/91/413841091.db2.gz MIWNNUBRIXBKHP-CQSZACIVSA-N 0 1 261.365 2.782 20 30 CFEDMN C=CCN(CCC(=O)c1ccccc1)[C@@H](C)COC ZINC000661240264 413841593 /nfs/dbraw/zinc/84/15/93/413841593.db2.gz MIWNNUBRIXBKHP-AWEZNQCLSA-N 0 1 261.365 2.782 20 30 CFEDMN C=CCN(Cc1cc(F)cc(F)c1)[C@H](C)COC ZINC000661241300 413842960 /nfs/dbraw/zinc/84/29/60/413842960.db2.gz VIWQZNXXVBQCAL-LLVKDONJSA-N 0 1 255.308 2.988 20 30 CFEDMN C=CC[C@H]1CCCN(Cc2nc(-c3ccccn3)no2)C1 ZINC000661379054 413936132 /nfs/dbraw/zinc/93/61/32/413936132.db2.gz ROBMJMDTXIATTF-ZDUSSCGKSA-N 0 1 284.363 2.920 20 30 CFEDMN C=CC[C@@H](Cc1ccccc1)NC(=O)N(C)Cc1cnc[nH]1 ZINC000661324175 413897869 /nfs/dbraw/zinc/89/78/69/413897869.db2.gz DALRBTFHHLNJDD-HNNXBMFYSA-N 0 1 298.390 2.739 20 30 CFEDMN C=CCNC(=O)[C@H](C)N[C@H](c1ccccc1F)C(C)C ZINC000661484513 414000531 /nfs/dbraw/zinc/00/05/31/414000531.db2.gz HLSJESZSVSXBAJ-WFASDCNBSA-N 0 1 278.371 2.803 20 30 CFEDMN C=CCN1CCN(c2ccc(Br)cc2)CC1 ZINC000661575740 414057947 /nfs/dbraw/zinc/05/79/47/414057947.db2.gz BCVZOYIERUGSEX-UHFFFAOYSA-N 0 1 281.197 2.757 20 30 CFEDMN C=CCN(CC(=O)N1CCC(c2ccccc2)=N1)C(C)(C)C ZINC000661755263 414195644 /nfs/dbraw/zinc/19/56/44/414195644.db2.gz MPZZDDUOZISQBP-UHFFFAOYSA-N 0 1 299.418 2.910 20 30 CFEDMN C=CCCn1cc(CSc2nc(C(C)(C)C)n[nH]2)nn1 ZINC000655474053 414293379 /nfs/dbraw/zinc/29/33/79/414293379.db2.gz YNSATURBQCCGRP-UHFFFAOYSA-N 0 1 292.412 2.562 20 30 CFEDMN C=CCCn1cc(CSc2n[nH]c(C(C)(C)C)n2)nn1 ZINC000655474053 414293388 /nfs/dbraw/zinc/29/33/88/414293388.db2.gz YNSATURBQCCGRP-UHFFFAOYSA-N 0 1 292.412 2.562 20 30 CFEDMN COc1cc(C#N)ccc1CN1CCC2(CCCC2=O)CC1 ZINC000661958429 414309937 /nfs/dbraw/zinc/30/99/37/414309937.db2.gz RRTUKKRFLJTZIE-UHFFFAOYSA-N 0 1 298.386 2.902 20 30 CFEDMN C[C@@H](NCC(=O)Nc1ccccc1)c1ccc(C#N)cc1 ZINC000037749600 173672071 /nfs/dbraw/zinc/67/20/71/173672071.db2.gz VVCNDNCWZUBUOG-CYBMUJFWSA-N 0 1 279.343 2.848 20 30 CFEDMN C=C[C@@](C)(O)C(=O)Nc1ccc2nc(C(C)(C)C)[nH]c2c1 ZINC000665767124 414441104 /nfs/dbraw/zinc/44/11/04/414441104.db2.gz AOJIRDMBYFLQQC-MRXNPFEDSA-N 0 1 287.363 2.736 20 30 CFEDMN C=C1C[C@H]2CC[C@@H](C1)N2Cc1cc(OC)ns1 ZINC000662088505 414404075 /nfs/dbraw/zinc/40/40/75/414404075.db2.gz HFKDTBRISLHUGB-PHIMTYICSA-N 0 1 250.367 2.835 20 30 CFEDMN C=CC[C@H]1CCCN(C(=O)[C@H](N)c2ccccc2)C1 ZINC000662637812 414583193 /nfs/dbraw/zinc/58/31/93/414583193.db2.gz YYMYRQMCLGQUJB-DZGCQCFKSA-N 0 1 258.365 2.501 20 30 CFEDMN C=CCN(C[C@H]1CCCCC1(C)C)[C@@H]1CCS(=O)(=O)C1 ZINC000660069851 414658700 /nfs/dbraw/zinc/65/87/00/414658700.db2.gz MAUKIZKHDASGMD-HUUCEWRRSA-N 0 1 299.480 2.878 20 30 CFEDMN C[C@@H]1C[C@]1(C#N)C(=O)Nc1cccc(Cl)c1O ZINC000334643093 225233861 /nfs/dbraw/zinc/23/38/61/225233861.db2.gz CSZKOXRWQJATDG-JMCQJSRRSA-N 0 1 250.685 2.534 20 30 CFEDMN N#CCCCN(Cc1cccs1)[C@@H]1C=C[C@H](CO)C1 ZINC000347321889 226132456 /nfs/dbraw/zinc/13/24/56/226132456.db2.gz AUQSBFAXQUUYRW-UONOGXRCSA-N 0 1 276.405 2.791 20 30 CFEDMN Cc1n[nH]c(C(=O)N[C@H](C#N)c2ccccc2Cl)c1C ZINC000336520099 227091443 /nfs/dbraw/zinc/09/14/43/227091443.db2.gz PGACUKNKBXVDNU-GFCCVEGCSA-N 0 1 288.738 2.675 20 30 CFEDMN O=C(NC[C@@H]1CCc2ccccc21)[C@H]1CCc2[nH]nnc2C1 ZINC000329034563 227267615 /nfs/dbraw/zinc/26/76/15/227267615.db2.gz QSPMSYOPXPPANB-STQMWFEESA-N 0 1 296.374 2.596 20 30 CFEDMN O=C(NC[C@@H]1CCc2ccccc21)[C@H]1CCc2nn[nH]c2C1 ZINC000329034563 227267620 /nfs/dbraw/zinc/26/76/20/227267620.db2.gz QSPMSYOPXPPANB-STQMWFEESA-N 0 1 296.374 2.596 20 30 CFEDMN Cc1nn(C)c(C)c1[NH+]=C([O-])Nc1ccc2c(c1)COC2 ZINC000329088690 227290168 /nfs/dbraw/zinc/29/01/68/227290168.db2.gz VUFAOWAJMWAMGQ-UHFFFAOYSA-N 0 1 286.335 2.725 20 30 CFEDMN Cc1nnsc1CNC(=O)[C@@H]1CCCN1C1CCCC1 ZINC000329102719 227298513 /nfs/dbraw/zinc/29/85/13/227298513.db2.gz FRSOLORRHXNHIK-LBPRGKRZSA-N 0 1 294.424 2.710 20 30 CFEDMN C[C@]1([NH+]=C([O-])N[C@@H]2CCc3ccccc3C2)CCCOC1 ZINC000329106258 227300830 /nfs/dbraw/zinc/30/08/30/227300830.db2.gz DJDFKEIMTCOHAM-WBVHZDCISA-N 0 1 288.391 2.617 20 30 CFEDMN C[C@]1(NC([O-])=[NH+][C@@H]2CCc3ccccc3C2)CCCOC1 ZINC000329106258 227300834 /nfs/dbraw/zinc/30/08/34/227300834.db2.gz DJDFKEIMTCOHAM-WBVHZDCISA-N 0 1 288.391 2.617 20 30 CFEDMN N#CCCCSc1nc(-c2ccccc2O)n[nH]1 ZINC000192945351 227399165 /nfs/dbraw/zinc/39/91/65/227399165.db2.gz FXKDOZZNWKHNSN-UHFFFAOYSA-N 0 1 260.322 2.573 20 30 CFEDMN C[C@@H]1CCC[C@H](NC(=O)N[C@@H]2CCc3nc[nH]c3C2)[C@H]1C ZINC000329543728 227590280 /nfs/dbraw/zinc/59/02/80/227590280.db2.gz FOSAUGJBNMSBCC-XQHKEYJVSA-N 0 1 290.411 2.595 20 30 CFEDMN C[C@H](NC(=O)N[C@@H]1CCc2nc[nH]c2C1)C1CCCCC1 ZINC000329704738 227898938 /nfs/dbraw/zinc/89/89/38/227898938.db2.gz IXNGJGQLOCUVRN-WCQYABFASA-N 0 1 290.411 2.739 20 30 CFEDMN Cc1cc(-n2ccnc2)ccc1CN[C@H]1CCC[C@@H]1C#N ZINC000331665791 228117425 /nfs/dbraw/zinc/11/74/25/228117425.db2.gz OJSWOHFIQORMIN-PBHICJAKSA-N 0 1 280.375 2.963 20 30 CFEDMN Cc1cnn([C@@H]2CCCN(C([O-])=[NH+]CC3(C)CC3)C2)c1 ZINC000330101907 228039486 /nfs/dbraw/zinc/03/94/86/228039486.db2.gz IEAYDSNWFDLJIJ-CYBMUJFWSA-N 0 1 276.384 2.543 20 30 CFEDMN COCCN(CC#Cc1ccccc1Cl)C1CC1 ZINC000352022917 228174717 /nfs/dbraw/zinc/17/47/17/228174717.db2.gz SAEZOJAVLFWMIU-UHFFFAOYSA-N 0 1 263.768 2.802 20 30 CFEDMN N#C[C@]1(c2nc(C3(N)CCCCC3)no2)CC12CCCC2 ZINC000333635907 228207620 /nfs/dbraw/zinc/20/76/20/228207620.db2.gz WNDYZNCYJAZIHL-HNNXBMFYSA-N 0 1 286.379 2.913 20 30 CFEDMN C=CC[C@@H](C)NC(=O)[C@H]1CCCN1Cc1ccccc1 ZINC000116855048 260005142 /nfs/dbraw/zinc/00/51/42/260005142.db2.gz XZFSKYVLYKOMNY-GDBMZVCRSA-N 0 1 272.392 2.732 20 30 CFEDMN C=C(C)[C@H](NCCOCCOC)c1ccc(F)c(F)c1 ZINC000187777666 260056538 /nfs/dbraw/zinc/05/65/38/260056538.db2.gz DZIJDKCXCDZQGH-HNNXBMFYSA-N 0 1 285.334 2.835 20 30 CFEDMN CSc1ccccc1NC(=O)C[N@@H+](C)CCCCC#N ZINC000058339127 260227002 /nfs/dbraw/zinc/22/70/02/260227002.db2.gz BMNCVMCLPAZNNS-UHFFFAOYSA-N 0 1 291.420 2.973 20 30 CFEDMN CSc1ccccc1NC(=O)CN(C)CCCCC#N ZINC000058339127 260227003 /nfs/dbraw/zinc/22/70/03/260227003.db2.gz BMNCVMCLPAZNNS-UHFFFAOYSA-N 0 1 291.420 2.973 20 30 CFEDMN C[C@@H](C(=O)N(CCC#N)c1ccccc1)N1CCCCC1 ZINC000070921203 260270733 /nfs/dbraw/zinc/27/07/33/260270733.db2.gz XQTMLBVFWIDLSQ-HNNXBMFYSA-N 0 1 285.391 2.808 20 30 CFEDMN C[C@H](NC1CC(C#N)(c2ccccc2)C1)C(=O)NC(C)(C)C ZINC000128842664 260378273 /nfs/dbraw/zinc/37/82/73/260378273.db2.gz OTLSEJIBSIWTLI-UQHVZDHRSA-N 0 1 299.418 2.503 20 30 CFEDMN C=C(C)CN(C)CC(=O)N[C@H](C)c1ccc(C)c(C)c1 ZINC000181287746 260577693 /nfs/dbraw/zinc/57/76/93/260577693.db2.gz KJGLLPNISYVJIT-OAHLLOKOSA-N 0 1 274.408 2.989 20 30 CFEDMN CC1CCN(CC(=O)N[C@@H](CCC#N)c2ccccc2)CC1 ZINC000153507803 261079073 /nfs/dbraw/zinc/07/90/73/261079073.db2.gz BXGXUDNKGRDBEI-KRWDZBQOSA-N 0 1 299.418 2.880 20 30 CFEDMN CC#CCCN1CCN(c2ccc3ccccc3n2)CC1 ZINC000462330932 261171828 /nfs/dbraw/zinc/17/18/28/261171828.db2.gz BCVBXRLLPOEBHS-UHFFFAOYSA-N 0 1 279.387 2.770 20 30 CFEDMN C#CCN1CCC(C(=O)O[C@@H](C)c2cccc(F)c2)CC1 ZINC000490839978 261223139 /nfs/dbraw/zinc/22/31/39/261223139.db2.gz LEECOYUQCWMZGU-ZDUSSCGKSA-N 0 1 289.350 2.775 20 30 CFEDMN C#CCN(Cc1ccccc1)C(=O)c1cc(C(C)C)[nH]n1 ZINC000491143944 261347827 /nfs/dbraw/zinc/34/78/27/261347827.db2.gz HEESQGRFXKGTPK-UHFFFAOYSA-N 0 1 281.359 2.809 20 30 CFEDMN C=CCN(CCOC)Cc1c[nH]nc1-c1cccs1 ZINC000361640609 261363194 /nfs/dbraw/zinc/36/31/94/261363194.db2.gz VESGBOBEPRGSAX-UHFFFAOYSA-N 0 1 277.393 2.773 20 30 CFEDMN C=CCOc1ccccc1CNCc1c(C)nn(C)c1C ZINC000111363392 261505354 /nfs/dbraw/zinc/50/53/54/261505354.db2.gz UTQSNXBWYUXWRH-UHFFFAOYSA-N 0 1 285.391 2.892 20 30 CFEDMN CC[C@@H](CC#N)NCc1cnc(-c2ccccc2)[nH]1 ZINC000184084750 262008036 /nfs/dbraw/zinc/00/80/36/262008036.db2.gz FMSIRGZSWXIOLB-ZDUSSCGKSA-N 0 1 254.337 2.859 20 30 CFEDMN CC[C@H](CC#N)NCc1cc(Cl)cc(OC)c1O ZINC000185206650 262046104 /nfs/dbraw/zinc/04/61/04/262046104.db2.gz MVDGNXSCURERFQ-LLVKDONJSA-N 0 1 268.744 2.836 20 30 CFEDMN CSCCON=C(N)c1ccc(N2CCCCC2)cc1 ZINC000185795061 262071779 /nfs/dbraw/zinc/07/17/79/262071779.db2.gz YXBGJNYENFLGPW-UHFFFAOYSA-N 0 1 293.436 2.677 20 30 CFEDMN N#CCCCCN1CCC(O)(c2c(F)cccc2F)CC1 ZINC000186497345 262095273 /nfs/dbraw/zinc/09/52/73/262095273.db2.gz CMLNMLRTSVEOHP-UHFFFAOYSA-N 0 1 294.345 2.942 20 30 CFEDMN N#CCCCCN[C@H](c1ncc[nH]1)c1ccccc1 ZINC000187950191 262146542 /nfs/dbraw/zinc/14/65/42/262146542.db2.gz REPWZKDVLBRSIP-AWEZNQCLSA-N 0 1 254.337 2.783 20 30 CFEDMN N#C[C@H](c1ccccc1)N1CCN(C[C@H]2CCC=CO2)CC1 ZINC000191057170 262188832 /nfs/dbraw/zinc/18/88/32/262188832.db2.gz XZOCSGRMTYDSDU-QZTJIDSGSA-N 0 1 297.402 2.562 20 30 CFEDMN C=C(Cl)CN[C@@H]1CCN(C(C)=O)Cc2cc(F)ccc21 ZINC000364253913 262191217 /nfs/dbraw/zinc/19/12/17/262191217.db2.gz MLVRTQZPYUUOBW-OAHLLOKOSA-N 0 1 296.773 2.961 20 30 CFEDMN N#C[C@H]1CCC[C@H](NCc2cccnc2OCC(F)F)C1 ZINC000193060152 262214699 /nfs/dbraw/zinc/21/46/99/262214699.db2.gz UITZUCAAEIIDMD-AAEUAGOBSA-N 0 1 295.333 2.897 20 30 CFEDMN C=CC1CCN(CC(=O)NCc2ccc(Cl)cc2)CC1 ZINC000111258843 262258898 /nfs/dbraw/zinc/25/88/98/262258898.db2.gz YUJHMHSFODRGJF-UHFFFAOYSA-N 0 1 292.810 2.854 20 30 CFEDMN CC(C)CCCN1C[C@H](C#N)[C@]2(C1)c1ccccc1NC2=O ZINC000364850622 262262558 /nfs/dbraw/zinc/26/25/58/262262558.db2.gz CAGHPRQONQQSJY-KBXCAEBGSA-N 0 1 297.402 2.768 20 30 CFEDMN CC[C@@](C)(C#N)C(=O)Nc1ccc(F)c(F)c1O ZINC000334746043 262281993 /nfs/dbraw/zinc/28/19/93/262281993.db2.gz BGWKVHMQKQTBCU-LBPRGKRZSA-N 0 1 254.236 2.549 20 30 CFEDMN C[C@@H](C#N)CN[C@H](C)[C@H]1CCCCN1C(=O)OC(C)(C)C ZINC000496268635 262341293 /nfs/dbraw/zinc/34/12/93/262341293.db2.gz WUOXWWDYXPRMLE-BFHYXJOUSA-N 0 1 295.427 2.914 20 30 CFEDMN C[C@@H](CCC#N)N1CCC[C@@H](NC(=O)OC(C)(C)C)C1 ZINC000496644766 262349860 /nfs/dbraw/zinc/34/98/60/262349860.db2.gz AMGFYBVNUYUGFX-QWHCGFSZSA-N 0 1 281.400 2.668 20 30 CFEDMN C=CCN1CC[C@@H](N(C)CCc2ccccc2CC)C1=O ZINC000337202851 262433870 /nfs/dbraw/zinc/43/38/70/262433870.db2.gz FRARVBZHRQYEPY-QGZVFWFLSA-N 0 1 286.419 2.510 20 30 CFEDMN C=CCOc1ccccc1CNCc1cnn(CC)c1 ZINC000112099438 262487188 /nfs/dbraw/zinc/48/71/88/262487188.db2.gz LYESEDWRZAKPOI-UHFFFAOYSA-N 0 1 271.364 2.758 20 30 CFEDMN C=C(C)COCCNCc1cnc([C@@H]2CCCO2)s1 ZINC000339499824 262649207 /nfs/dbraw/zinc/64/92/07/262649207.db2.gz IQBIHBXQXVGKRE-ZDUSSCGKSA-N 0 1 282.409 2.677 20 30 CFEDMN CN(CCC(C)(C)C#N)C[C@H]1COc2ccccc2O1 ZINC000271987915 263000949 /nfs/dbraw/zinc/00/09/49/263000949.db2.gz DBPTXKYJSMNBJC-ZDUSSCGKSA-N 0 1 274.364 2.698 20 30 CFEDMN CCCn1c2ccccc2nc1CNCCCC#N ZINC000273051695 263011830 /nfs/dbraw/zinc/01/18/30/263011830.db2.gz KOLXYIBMKPAHLX-UHFFFAOYSA-N 0 1 256.353 2.840 20 30 CFEDMN CC[C@H](C)c1nc([C@@H](C)NC(=O)C2(C#N)CCCC2)n[nH]1 ZINC000277180628 263040047 /nfs/dbraw/zinc/04/00/47/263040047.db2.gz YZSGGWPGEUUMAZ-WDEREUQCSA-N 0 1 289.383 2.579 20 30 CFEDMN CC[C@H](C)c1nc([C@H](C)NC(=O)C2(C#N)CCCC2)n[nH]1 ZINC000277180623 263040069 /nfs/dbraw/zinc/04/00/69/263040069.db2.gz YZSGGWPGEUUMAZ-QWRGUYRKSA-N 0 1 289.383 2.579 20 30 CFEDMN CC1(C)CCCN(C(=O)c2[nH]nc3ccccc32)[C@@H]1C#N ZINC000277464087 263041233 /nfs/dbraw/zinc/04/12/33/263041233.db2.gz HHCOZQLRWDSREL-CYBMUJFWSA-N 0 1 282.347 2.717 20 30 CFEDMN COc1ccccc1N1CCN([C@@H]2CC[C@H](C#N)C2)CC1 ZINC000278502553 263048527 /nfs/dbraw/zinc/04/85/27/263048527.db2.gz AKRMZHGWTBOTGM-LSDHHAIUSA-N 0 1 285.391 2.509 20 30 CFEDMN CC(C)(C)c1ccc(CCN2CCN(CC#N)CC2)cc1 ZINC000278873332 263051652 /nfs/dbraw/zinc/05/16/52/263051652.db2.gz GLAVSBHWWDNSPX-UHFFFAOYSA-N 0 1 285.435 2.668 20 30 CFEDMN C[C@@H]1CN(C)C[C@H](C)N1C(=O)c1ccc(C(C)(C)C#N)cc1 ZINC000281240574 263067471 /nfs/dbraw/zinc/06/74/71/263067471.db2.gz PLLWMFNTPGPFEY-OKILXGFUSA-N 0 1 299.418 2.652 20 30 CFEDMN N#CCc1ccc(C(=O)Nc2ccc3nc[nH]c3c2)cc1 ZINC000340106404 263070929 /nfs/dbraw/zinc/07/09/29/263070929.db2.gz VOHHOINBODOTOK-UHFFFAOYSA-N 0 1 276.299 2.881 20 30 CFEDMN Cn1cc([C@H](N[C@@H]2CC[C@@H](C#N)C2)c2ccc(F)cc2)cn1 ZINC000282198680 263075031 /nfs/dbraw/zinc/07/50/31/263075031.db2.gz GRUXRWQUTWWAFF-CSMYWGQOSA-N 0 1 298.365 2.930 20 30 CFEDMN COc1ccc(N2CCN([C@@H]3CC[C@H](C#N)C3)CC2)cc1 ZINC000283978431 263085225 /nfs/dbraw/zinc/08/52/25/263085225.db2.gz MEWDVQSMMJUSFF-GOEBONIOSA-N 0 1 285.391 2.509 20 30 CFEDMN CCN(CC)[C@H](CNC(=O)[C@@](C)(C#N)CC)c1ccco1 ZINC000285255211 263091555 /nfs/dbraw/zinc/09/15/55/263091555.db2.gz XHJLJSVKHFYDBG-CZUORRHYSA-N 0 1 291.395 2.719 20 30 CFEDMN CC(C)(C#N)CCN1CCC2(C1)Oc1ccccc1O2 ZINC000289140852 263107675 /nfs/dbraw/zinc/10/76/75/263107675.db2.gz YNCODPSNVOAQNG-UHFFFAOYSA-N 0 1 272.348 2.800 20 30 CFEDMN COC(=O)c1ccc2c(c1)CN([C@H]1CC[C@H](C#N)C1)CC2 ZINC000292716198 263134304 /nfs/dbraw/zinc/13/43/04/263134304.db2.gz AFFVXCGFLVSVSS-LRDDRELGSA-N 0 1 284.359 2.524 20 30 CFEDMN N#C[C@H]1CC[C@@H](N2CCN(Cc3cccc(F)c3)CC2)C1 ZINC000292846818 263135737 /nfs/dbraw/zinc/13/57/37/263135737.db2.gz QAYGVSFBRLRDDN-WMLDXEAASA-N 0 1 287.382 2.636 20 30 CFEDMN N#C[C@@H]1CC[C@H](N2CCN(c3cccs3)CC2)C1 ZINC000292920883 263136542 /nfs/dbraw/zinc/13/65/42/263136542.db2.gz XZJOECNPWXUZQJ-OLZOCXBDSA-N 0 1 261.394 2.562 20 30 CFEDMN Cc1cc(CN[C@@H]2CCC[C@@H](C#N)C2)nc(N2CCCC2)n1 ZINC000293253033 263138886 /nfs/dbraw/zinc/13/88/86/263138886.db2.gz BSCWRCFNTXKLFX-HUUCEWRRSA-N 0 1 299.422 2.557 20 30 CFEDMN C=CCN(CCC#N)C(=O)[C@H](c1ccccc1)N(C)CC ZINC000293666452 263146199 /nfs/dbraw/zinc/14/61/99/263146199.db2.gz GCJWUHNUTHNUQT-INIZCTEOSA-N 0 1 285.391 2.608 20 30 CFEDMN C[C@@]1(F)CCCN(Cc2ccc(OCC#N)cc2)C1 ZINC000295489242 263178330 /nfs/dbraw/zinc/17/83/30/263178330.db2.gz RWBKALXAWVVAHX-OAHLLOKOSA-N 0 1 262.328 2.913 20 30 CFEDMN C=C[C@@H](CO)N[C@@H](C)c1oc2ccc(OC)cc2c1C ZINC000353581045 263193949 /nfs/dbraw/zinc/19/39/49/263193949.db2.gz YIESWQJGEUTWCB-RYUDHWBXSA-N 0 1 275.348 2.947 20 30 CFEDMN COc1c(C)cnc(CN(C)[C@H](C)CCC#N)c1C ZINC000298554684 263222182 /nfs/dbraw/zinc/22/21/82/263222182.db2.gz ZBUYNOHTZKKQTK-GFCCVEGCSA-N 0 1 261.369 2.831 20 30 CFEDMN N#CCCN[C@H]1CCC[C@H]1Oc1cc(F)cc(F)c1 ZINC000298587682 263222593 /nfs/dbraw/zinc/22/25/93/263222593.db2.gz RLRUFCSGHUKPCU-UONOGXRCSA-N 0 1 266.291 2.768 20 30 CFEDMN CC(C)[C@](C)(C#N)NC(=O)CN(C)[C@H](C)c1ccccc1 ZINC000298797151 263226010 /nfs/dbraw/zinc/22/60/10/263226010.db2.gz HFLIXQNIMPBISX-PBHICJAKSA-N 0 1 287.407 2.734 20 30 CFEDMN C[C@@H](CCC#N)N[C@@H](c1cnn(C)c1)c1ccc(F)cc1 ZINC000299265462 263236684 /nfs/dbraw/zinc/23/66/84/263236684.db2.gz KPLAJSWRBGFAJU-BLLLJJGKSA-N 0 1 286.354 2.930 20 30 CFEDMN CN1CCC[C@@H]1C(=O)Nc1ccc(C(C)(C)C#N)cc1 ZINC000299495671 263243518 /nfs/dbraw/zinc/24/35/18/263243518.db2.gz GXCVWWBTJMFPCP-CQSZACIVSA-N 0 1 271.364 2.520 20 30 CFEDMN N#CC1(NC(=O)c2ccc(O)c(Cl)c2)CCCC1 ZINC000040217101 263282409 /nfs/dbraw/zinc/28/24/09/263282409.db2.gz QGHIYLJYLYHROK-UHFFFAOYSA-N 0 1 264.712 2.612 20 30 CFEDMN C=CCNC(=O)[C@@H](C)N[C@@H](C)c1cccc(OC(C)C)c1 ZINC000120254058 263284685 /nfs/dbraw/zinc/28/46/85/263284685.db2.gz MUWZXBZFMBPXLL-UONOGXRCSA-N 0 1 290.407 2.815 20 30 CFEDMN C=CCCOCC[NH2+]Cc1c([O-])cccc1Cl ZINC000120844704 263286664 /nfs/dbraw/zinc/28/66/64/263286664.db2.gz NKXKBPSZQVXPAB-UHFFFAOYSA-N 0 1 255.745 2.728 20 30 CFEDMN CCC[C@@H]1CCC[N@@H+](CC(=O)N[C@@](C)(C#N)C(C)C)C1 ZINC000120849376 263286924 /nfs/dbraw/zinc/28/69/24/263286924.db2.gz CYXJDRCRJWGIIZ-ZBFHGGJFSA-N 0 1 279.428 2.553 20 30 CFEDMN CCC[C@@H]1CCCN(CC(=O)N[C@@](C)(C#N)C(C)C)C1 ZINC000120849376 263286927 /nfs/dbraw/zinc/28/69/27/263286927.db2.gz CYXJDRCRJWGIIZ-ZBFHGGJFSA-N 0 1 279.428 2.553 20 30 CFEDMN C=CC[N@@H+](C)CCOc1ccc2c(C)cc(=O)oc2c1 ZINC000121625128 263297706 /nfs/dbraw/zinc/29/77/06/263297706.db2.gz CXIXLBYBJNUPEX-UHFFFAOYSA-N 0 1 273.332 2.598 20 30 CFEDMN C=CC[C@H](CC)NC(=O)N[C@H](c1nnc[nH]1)c1ccccc1 ZINC000341432793 263338058 /nfs/dbraw/zinc/33/80/58/263338058.db2.gz MAKMQDXPPVATCZ-KBPBESRZSA-N 0 1 299.378 2.548 20 30 CFEDMN C=CCN1CCC(Nc2nc(CC)cs2)CC1 ZINC000341915722 263365941 /nfs/dbraw/zinc/36/59/41/263365941.db2.gz XFGILNPUZSKONK-UHFFFAOYSA-N 0 1 251.399 2.768 20 30 CFEDMN COCC1(C#N)CCN(C/C=C\c2ccccc2)CC1 ZINC000341973478 263372872 /nfs/dbraw/zinc/37/28/72/263372872.db2.gz GQDAUASYJUMUPR-YVMONPNESA-N 0 1 270.376 2.952 20 30 CFEDMN COCC1(C#N)CCN([C@@H](C)c2ccc(C#N)cc2)CC1 ZINC000342016858 263379067 /nfs/dbraw/zinc/37/90/67/263379067.db2.gz MNOPILMKBAENBS-AWEZNQCLSA-N 0 1 283.375 2.871 20 30 CFEDMN COCc1cccc(CN2CCC(C#N)(COC)CC2)c1 ZINC000341985269 263380623 /nfs/dbraw/zinc/38/06/23/263380623.db2.gz WJTSXWWLWOVNBP-UHFFFAOYSA-N 0 1 288.391 2.585 20 30 CFEDMN Cc1ccc2nc([C@H]3CCCN(C(=O)[C@@H](C)C#N)C3)[nH]c2c1 ZINC000334248955 263517857 /nfs/dbraw/zinc/51/78/57/263517857.db2.gz YJHOIKPQFIIKND-STQMWFEESA-N 0 1 296.374 2.737 20 30 CFEDMN CCN(C[C@@H](C)C#N)C(=O)[C@H]1CCCN1Cc1ccccc1 ZINC000343217811 263769233 /nfs/dbraw/zinc/76/92/33/263769233.db2.gz PNRPSBMJSWAECJ-DOTOQJQBSA-N 0 1 299.418 2.659 20 30 CFEDMN O=C(NC1(C(F)F)CC1)[C@H]1CCCc2[nH]ncc21 ZINC000328707964 263847204 /nfs/dbraw/zinc/84/72/04/263847204.db2.gz MAGFDVDEKDPVOV-ZETCQYMHSA-N 0 1 255.268 2.584 20 30 CFEDMN CC(C)c1nc([C@@H](C)NC(=O)N(C)C2CCCC2)n[nH]1 ZINC000328832669 263876106 /nfs/dbraw/zinc/87/61/06/263876106.db2.gz VXTRJKHMOXUTJP-SNVBAGLBSA-N 0 1 279.388 2.778 20 30 CFEDMN CC1(C)CCCC[C@@H]1NC(=O)[C@H]1CCc2[nH]nnc2C1 ZINC000328982266 263911440 /nfs/dbraw/zinc/91/14/40/263911440.db2.gz RZRZYTFADFDPOK-GWCFXTLKSA-N 0 1 276.384 2.835 20 30 CFEDMN CC1(C)CCCC[C@@H]1NC(=O)[C@H]1CCc2nn[nH]c2C1 ZINC000328982266 263911441 /nfs/dbraw/zinc/91/14/41/263911441.db2.gz RZRZYTFADFDPOK-GWCFXTLKSA-N 0 1 276.384 2.835 20 30 CFEDMN C[C@@H](NC(=O)Nc1ncc(C(C)(C)C)s1)c1nnc[nH]1 ZINC000330708561 264019849 /nfs/dbraw/zinc/01/98/49/264019849.db2.gz NRMKBHYJWFTFGT-SSDOTTSWSA-N 0 1 294.384 2.646 20 30 CFEDMN CC[C@@H]1CCC[C@H](NC([O-])=[NH+][C@@H](C)Cn2cccn2)C1 ZINC000330873921 264059865 /nfs/dbraw/zinc/05/98/65/264059865.db2.gz SSBJXUJKPVPFEA-MJBXVCDLSA-N 0 1 278.400 2.744 20 30 CFEDMN CC[C@@H]1CCC[C@H]([NH+]=C([O-])N[C@@H](C)Cn2cccn2)C1 ZINC000330873921 264059866 /nfs/dbraw/zinc/05/98/66/264059866.db2.gz SSBJXUJKPVPFEA-MJBXVCDLSA-N 0 1 278.400 2.744 20 30 CFEDMN Cc1n[nH]c(C(C)C)c1C(=O)Nc1ccc(C)[nH]c1=O ZINC000330876889 264060686 /nfs/dbraw/zinc/06/06/86/264060686.db2.gz GDCNVSKCFOSHPN-UHFFFAOYSA-N 0 1 274.324 2.887 20 30 CFEDMN CC(C)C[C@@H]1CCN(C([O-])=[NH+][C@@H](C)Cn2cccn2)C1 ZINC000330933660 264097442 /nfs/dbraw/zinc/09/74/42/264097442.db2.gz DZTPGBQNRBVUAX-KBPBESRZSA-N 0 1 278.400 2.554 20 30 CFEDMN CCCC[C@@H]1CCC[C@@H]1NC(=O)N(C)Cc1nnc[nH]1 ZINC000331360486 264209239 /nfs/dbraw/zinc/20/92/39/264209239.db2.gz XWOTZPWCTTVOEB-NEPJUHHUSA-N 0 1 279.388 2.509 20 30 CFEDMN C=C(C)C(C)(C)C(=O)NC[C@@H](c1nc[nH]n1)c1ccccc1 ZINC000424868435 264256988 /nfs/dbraw/zinc/25/69/88/264256988.db2.gz SVSLNODPDCWVFY-CQSZACIVSA-N 0 1 298.390 2.655 20 30 CFEDMN N#CC1(CN2CCC[C@@H]2Cn2cnc3ccccc32)CC1 ZINC000343280912 264337106 /nfs/dbraw/zinc/33/71/06/264337106.db2.gz VONPIALLXVLXFB-CQSZACIVSA-N 0 1 280.375 2.804 20 30 CFEDMN C=C[C@@H](C)NCc1cc2c(cc1Br)OCO2 ZINC000130460075 264352782 /nfs/dbraw/zinc/35/27/82/264352782.db2.gz ZWYHRBNGTGDBTN-MRVPVSSYSA-N 0 1 284.153 2.842 20 30 CFEDMN C=C[C@H]1CCCCN1C(=O)NCc1ccc2cncn2c1 ZINC000334511328 264521624 /nfs/dbraw/zinc/52/16/24/264521624.db2.gz GILAHZIUJVTUHS-AWEZNQCLSA-N 0 1 284.363 2.584 20 30 CFEDMN CC#CCCCC(=O)NC[C@H](c1ccc(F)cc1)N(C)C ZINC000185229869 265011533 /nfs/dbraw/zinc/01/15/33/265011533.db2.gz USODLAYRKFHJHB-MRXNPFEDSA-N 0 1 290.382 2.738 20 30 CFEDMN CCN(CC#N)Cc1nc(C(C)C)n2ccccc12 ZINC000514619025 266021043 /nfs/dbraw/zinc/02/10/43/266021043.db2.gz QJXJXCICQMQGLT-UHFFFAOYSA-N 0 1 256.353 2.803 20 30 CFEDMN C=C(C)C[C@@H](C)C(=O)N[C@@H](Cc1nc[nH]n1)c1ccccc1 ZINC000356556698 266137360 /nfs/dbraw/zinc/13/73/60/266137360.db2.gz QYFDOTYWPKOZQK-HIFRSBDPSA-N 0 1 298.390 2.807 20 30 CFEDMN C=CCN(C(=O)NC[C@@H](c1cccs1)N(C)C)C1CC1 ZINC000357088359 266246109 /nfs/dbraw/zinc/24/61/09/266246109.db2.gz SCGHBZZWAVERQE-ZDUSSCGKSA-N 0 1 293.436 2.711 20 30 CFEDMN CCOC[C@H]1CCCCN1Cc1cc(C#N)ccc1OC ZINC000313483685 266284899 /nfs/dbraw/zinc/28/48/99/266284899.db2.gz LNQRVLPHJPGIAR-MRXNPFEDSA-N 0 1 288.391 2.958 20 30 CFEDMN CC[C@@H]1CN(CCOc2ccc(C#N)cc2)C[C@@H](CC)O1 ZINC000398504871 266378507 /nfs/dbraw/zinc/37/85/07/266378507.db2.gz DXRXGHCBKOCJDG-HZPDHXFCSA-N 0 1 288.391 2.826 20 30 CFEDMN C=C(C)[C@@H]1OCC[C@H]1C(=O)Nc1ccc2nc(C)[nH]c2c1 ZINC000362533490 267002865 /nfs/dbraw/zinc/00/28/65/267002865.db2.gz MQJMYLNZTANCBW-DOMZBBRYSA-N 0 1 285.347 2.791 20 30 CFEDMN C=CCc1cc(CN2CCOC[C@H](C)C2)cc(OC)c1O ZINC000370182207 267297305 /nfs/dbraw/zinc/29/73/05/267297305.db2.gz ILEKLONFQJITFQ-CYBMUJFWSA-N 0 1 291.391 2.598 20 30 CFEDMN Cn1nccc1CCN1CCC[C@@H]1[C@H](C#N)c1ccccc1 ZINC000370325729 267309750 /nfs/dbraw/zinc/30/97/50/267309750.db2.gz LXJFUNXYTIDMPE-QZTJIDSGSA-N 0 1 294.402 2.734 20 30 CFEDMN N#CC1(NC(=O)CN2CCC3(CCC3)CC2)CCCCC1 ZINC000370743622 267343627 /nfs/dbraw/zinc/34/36/27/267343627.db2.gz ZIOXDOJEPLZCSQ-UHFFFAOYSA-N 0 1 289.423 2.595 20 30 CFEDMN C=CCCCCCCCCNC(=O)[C@H]1C[C@@H]1c1nc[nH]n1 ZINC000377088534 268046165 /nfs/dbraw/zinc/04/61/65/268046165.db2.gz JWWCAIYWWJCWHX-KBPBESRZSA-N 0 1 290.411 2.941 20 30 CFEDMN N#Cc1cccc(OC2CCN(CC3(F)CC3)CC2)c1 ZINC000525977342 268284047 /nfs/dbraw/zinc/28/40/47/268284047.db2.gz ICNINNCWUHOZQS-UHFFFAOYSA-N 0 1 274.339 2.904 20 30 CFEDMN C[C@@H]1CN(c2cc(C(F)(F)F)cnc2C#N)C[C@H](C)N1C ZINC000413301930 274361698 /nfs/dbraw/zinc/36/16/98/274361698.db2.gz SGZFSTLBONXRSO-AOOOYVTPSA-N 0 1 298.312 2.501 20 30 CFEDMN Cc1ccc2ncc(C#N)c(N3CCN(C(C)C)CC3)c2c1 ZINC000487933536 274785601 /nfs/dbraw/zinc/78/56/01/274785601.db2.gz UYOITNOXJZOAJQ-UHFFFAOYSA-N 0 1 294.402 2.945 20 30 CFEDMN CC(C)C1(C)CCN([C@@H](C(N)=O)c2ccc(C#N)cc2)CC1 ZINC000426734829 277336818 /nfs/dbraw/zinc/33/68/18/277336818.db2.gz RFUNBFQRDPOJOT-MRXNPFEDSA-N 0 1 299.418 2.843 20 30 CFEDMN COc1cccc2c1CCN(CC1(C#N)CCC1)CC2 ZINC000336265337 278027709 /nfs/dbraw/zinc/02/77/09/278027709.db2.gz KQXVKMMFPIIRDE-UHFFFAOYSA-N 0 1 270.376 2.790 20 30 CFEDMN COc1ccncc1CN[C@@H]1CCc2ccc(C#N)cc21 ZINC000340403300 278068949 /nfs/dbraw/zinc/06/89/49/278068949.db2.gz DHQJKTORDXAMCU-MRXNPFEDSA-N 0 1 279.343 2.739 20 30 CFEDMN CC(C)c1nc([C@H]2CCCCN2c2ccc(C#N)cn2)n[nH]1 ZINC000289911231 278073433 /nfs/dbraw/zinc/07/34/33/278073433.db2.gz XYCKSQLQIGJBBH-CYBMUJFWSA-N 0 1 296.378 2.926 20 30 CFEDMN Cc1nn(C)cc1[C@H](C)N[C@@H]1CCc2ccc(C#N)cc21 ZINC000335661689 279215276 /nfs/dbraw/zinc/21/52/76/279215276.db2.gz RGZWTGDOSKJSGY-APPDUMDISA-N 0 1 280.375 2.938 20 30 CFEDMN Cc1cccc(S(=O)(=O)Nc2ccc(F)cc2)c1C#N ZINC000137186535 280786892 /nfs/dbraw/zinc/78/68/92/280786892.db2.gz WVUASGZIEOAYBZ-UHFFFAOYSA-N 0 1 290.319 2.807 20 30 CFEDMN Cc1ccc2nc(NC(=O)c3ccc(C#N)o3)[nH]c2c1 ZINC000344488998 281160851 /nfs/dbraw/zinc/16/08/51/281160851.db2.gz YHPZXVILHAZKPK-UHFFFAOYSA-N 0 1 266.260 2.588 20 30 CFEDMN N#Cc1ccc2c(c1)CCC[C@H]2NCc1ccc(CO)o1 ZINC000563592691 290161605 /nfs/dbraw/zinc/16/16/05/290161605.db2.gz JUEJBYSQZGXOFI-QGZVFWFLSA-N 0 1 282.343 2.811 20 30 CFEDMN CN(CCOCc1ccc(C#N)cc1)Cc1cccn1C ZINC000564324009 290203250 /nfs/dbraw/zinc/20/32/50/290203250.db2.gz RXDNLOLRHIEZDD-UHFFFAOYSA-N 0 1 283.375 2.545 20 30 CFEDMN N#Cc1ccc(CN2CC[C@@H]2Cc2ccccc2)nc1 ZINC000566415064 290380445 /nfs/dbraw/zinc/38/04/45/290380445.db2.gz XWSBYRCHSPHHMZ-QGZVFWFLSA-N 0 1 263.344 2.770 20 30 CFEDMN O=C(NC1CCC2(CC2)CC1)[C@@H]1CCc2[nH]nnc2C1 ZINC000329150675 295376700 /nfs/dbraw/zinc/37/67/00/295376700.db2.gz ZSAQFSSDPADTTJ-SNVBAGLBSA-N 0 1 274.368 2.589 20 30 CFEDMN O=C(NC1CCC2(CC2)CC1)[C@@H]1CCc2nn[nH]c2C1 ZINC000329150675 295376701 /nfs/dbraw/zinc/37/67/01/295376701.db2.gz ZSAQFSSDPADTTJ-SNVBAGLBSA-N 0 1 274.368 2.589 20 30 CFEDMN O=C(NCc1nnc[nH]1)[C@@H]1CCC[C@@H]2CCCC[C@H]12 ZINC000329023281 295378852 /nfs/dbraw/zinc/37/88/52/295378852.db2.gz UJYPAAIOXQACRO-SDDRHHMPSA-N 0 1 262.357 2.868 20 30 CFEDMN C[C@H]1CN(c2ncc(C#N)cc2Cl)CCN(C2CC2)C1 ZINC000450546057 300302233 /nfs/dbraw/zinc/30/22/33/300302233.db2.gz DHKNOUFVJQEUOD-LLVKDONJSA-N 0 1 290.798 2.527 20 30 CFEDMN N#Cc1ccc(C[N@@H+]2[C@@H]3CCCC[C@@H]3C[C@H]2C(=O)[O-])s1 ZINC000263491151 303191209 /nfs/dbraw/zinc/19/12/09/303191209.db2.gz INDZKJKHAZNPNB-HONMWMINSA-N 0 1 290.388 2.837 20 30 CFEDMN C=CCCN1CC[C@H]1CN(C)C(=O)c1ccc(Cl)o1 ZINC001085487564 782079064 /nfs/dbraw/zinc/07/90/64/782079064.db2.gz CCIGBYHDGPRXRV-NSHDSACASA-N 0 1 282.771 2.655 20 30 CFEDMN C=C(C)CN(CC)C(=O)[C@@H](C)N1CCC(OC(C)C)CC1 ZINC000531164486 327744292 /nfs/dbraw/zinc/74/42/92/327744292.db2.gz XWUXMDKEECRSAD-OAHLLOKOSA-N 0 1 296.455 2.689 20 30 CFEDMN C[C@H](NC[C@H](C#N)CCC#N)c1ccccc1-n1cccn1 ZINC000160842529 327915119 /nfs/dbraw/zinc/91/51/19/327915119.db2.gz DYFQMLARANCENQ-GJZGRUSLSA-N 0 1 293.374 2.966 20 30 CFEDMN COc1cc(F)cc(C[C@@H](C)NC[C@H](C#N)CCC#N)c1 ZINC000570955694 327925775 /nfs/dbraw/zinc/92/57/75/327925775.db2.gz WFQMBAJRMQEZNK-OLZOCXBDSA-N 0 1 289.354 2.798 20 30 CFEDMN CCCCCCCC(=O)N1CCN([C@H]2CCSC2)CC1 ZINC000365870532 327961194 /nfs/dbraw/zinc/96/11/94/327961194.db2.gz PZGYBRCXVOENMY-HNNXBMFYSA-N 0 1 298.496 2.997 20 30 CFEDMN C=C(C)C[N@H+](CC)[C@H](C(=O)[O-])c1ccc(F)cc1 ZINC000563277202 328006934 /nfs/dbraw/zinc/00/69/34/328006934.db2.gz KKLIQHNZWWWYNY-ZDUSSCGKSA-N 0 1 251.301 2.849 20 30 CFEDMN C=C(C)CN(CC)CC(=O)N(C)[C@@H]1CCCC[C@@H]1C ZINC000217200361 329058629 /nfs/dbraw/zinc/05/86/29/329058629.db2.gz YYXDRRKTORRVOO-LSDHHAIUSA-N 0 1 266.429 2.922 20 30 CFEDMN CC[C@@H](CC#N)NC[C@@H](O)COc1ccc2ccccc2c1 ZINC000571295034 328100245 /nfs/dbraw/zinc/10/02/45/328100245.db2.gz NBSUCCHTICUEJO-DLBZAZTESA-N 0 1 298.386 2.861 20 30 CFEDMN CC1(C)CCCN(C(=O)c2cccc3n[nH]cc32)[C@H]1C#N ZINC000277558524 328221470 /nfs/dbraw/zinc/22/14/70/328221470.db2.gz PBSJAMVZDWOERC-AWEZNQCLSA-N 0 1 282.347 2.717 20 30 CFEDMN Cc1ccc2nc(CN[C@@H]3CCC[C@@H](C#N)C3)cn2c1 ZINC000278395826 328225115 /nfs/dbraw/zinc/22/51/15/328225115.db2.gz FDQIGJKCSDEGBN-ZIAGYGMSSA-N 0 1 268.364 2.815 20 30 CFEDMN COc1cc2c(cc1OC)CN([C@H]1CC[C@H](C#N)C1)CC2 ZINC000278591659 328227716 /nfs/dbraw/zinc/22/77/16/328227716.db2.gz LDPYMLSJPPUKTF-WFASDCNBSA-N 0 1 286.375 2.754 20 30 CFEDMN CN(Cc1ccccc1[N+](=O)[O-])[C@H]1CC[C@@H](C#N)C1 ZINC000278616692 328228317 /nfs/dbraw/zinc/22/83/17/328228317.db2.gz NAVNLXXZEHBVOG-YPMHNXCESA-N 0 1 259.309 2.719 20 30 CFEDMN N#CCCCN[C@H](CO)c1ccccc1OC(F)(F)F ZINC000280337161 328235127 /nfs/dbraw/zinc/23/51/27/328235127.db2.gz IEAGQDUKKQVRDM-LLVKDONJSA-N 0 1 288.269 2.512 20 30 CFEDMN Cc1nc2cccc(C(=O)NCC3CCC(C#N)CC3)c2[nH]1 ZINC000282812914 328243732 /nfs/dbraw/zinc/24/37/32/328243732.db2.gz PJJJQLKIQMQMIJ-UHFFFAOYSA-N 0 1 296.374 2.931 20 30 CFEDMN Cc1nc2cccc(C(=O)N[C@H]3CC[C@@H](CC#N)C3)c2[nH]1 ZINC000296911704 328292734 /nfs/dbraw/zinc/29/27/34/328292734.db2.gz MLFNXZPEPCISDJ-RYUDHWBXSA-N 0 1 282.347 2.684 20 30 CFEDMN C#CCN1CCC(C(=O)N(CC=C)c2ccccc2)CC1 ZINC000122405511 328396582 /nfs/dbraw/zinc/39/65/82/328396582.db2.gz AJHRAZRIUDUGIU-UHFFFAOYSA-N 0 1 282.387 2.551 20 30 CFEDMN C=C(C)CN[C@H](CCSC)c1nnc2ccccn21 ZINC000184600397 328533235 /nfs/dbraw/zinc/53/32/35/328533235.db2.gz UMXJFCZDRCHLRW-GFCCVEGCSA-N 0 1 276.409 2.689 20 30 CFEDMN C=CCN(C)C(=O)NC[C@@H](c1ccc(Cl)cc1)N(C)C ZINC000583908403 326789980 /nfs/dbraw/zinc/78/99/80/326789980.db2.gz OBPWIJAEFXOMFH-AWEZNQCLSA-N 0 1 295.814 2.770 20 30 CFEDMN CCN(CC)[C@H](CNC[C@H](C#N)CCC#N)c1ccco1 ZINC000564847571 327011852 /nfs/dbraw/zinc/01/18/52/327011852.db2.gz OEPMGYIQXREXSP-LSDHHAIUSA-N 0 1 288.395 2.696 20 30 CFEDMN CC(C)C1CCC([N@@H+](C)CC(=O)NC2(C#N)CCC2)CC1 ZINC000558116261 327074664 /nfs/dbraw/zinc/07/46/64/327074664.db2.gz WHHBWMCNPKVVFL-UHFFFAOYSA-N 0 1 291.439 2.695 20 30 CFEDMN Cc1ccccc1OCCCNC[C@H](C#N)CCC#N ZINC000565887217 327078525 /nfs/dbraw/zinc/07/85/25/327078525.db2.gz HWGPUMUBCDXXTE-HNNXBMFYSA-N 0 1 271.364 2.797 20 30 CFEDMN C=CCOc1ccc(CNCc2cn(C)nc2CC)cc1 ZINC000093112900 327104498 /nfs/dbraw/zinc/10/44/98/327104498.db2.gz DXSOGTGGGZCXLB-UHFFFAOYSA-N 0 1 285.391 2.837 20 30 CFEDMN C=CC[N@H+](CC[C@H](C(=O)[O-])c1ccccc1)C1CC1 ZINC000583386872 327337730 /nfs/dbraw/zinc/33/77/30/327337730.db2.gz PTZFKCLNQABYNA-HNNXBMFYSA-N 0 1 259.349 2.895 20 30 CFEDMN C=CCOc1cccc(NC(=O)CN2CC[C@@H](C)C2)c1 ZINC000561174619 327371296 /nfs/dbraw/zinc/37/12/96/327371296.db2.gz AYPLLKODPYSCKT-CYBMUJFWSA-N 0 1 274.364 2.532 20 30 CFEDMN N#CCCN[C@H]1CCCN(Cc2ccc(F)cc2Cl)C1 ZINC000570038040 327564248 /nfs/dbraw/zinc/56/42/48/327564248.db2.gz RGPCQDFLGOYPJT-AWEZNQCLSA-N 0 1 295.789 2.947 20 30 CFEDMN C#Cc1ccc(CN2C[C@@H](CC)O[C@@]3(CCCOC3)C2)cc1 ZINC000377703176 329025837 /nfs/dbraw/zinc/02/58/37/329025837.db2.gz VZWPHEKKVOLROI-MOPGFXCFSA-N 0 1 299.414 2.828 20 30 CFEDMN C=CCNC(=O)CN1C[C@H](C)C[C@@H]1c1cccc(F)c1 ZINC000173923139 329151087 /nfs/dbraw/zinc/15/10/87/329151087.db2.gz LCJRJWJYNVKGDN-IUODEOHRSA-N 0 1 276.355 2.511 20 30 CFEDMN CC#CCN1CC[C@@H](c2cc(OC)cc(OC)c2)C1 ZINC000177418802 329184132 /nfs/dbraw/zinc/18/41/32/329184132.db2.gz UXFJMJFBRXWXRH-CYBMUJFWSA-N 0 1 259.349 2.516 20 30 CFEDMN C#CCCCCC(=O)N[C@@H](c1n[nH]c(C)n1)c1ccccc1 ZINC000180011681 329214452 /nfs/dbraw/zinc/21/44/52/329214452.db2.gz ZHCBIUMPFNTOEV-MRXNPFEDSA-N 0 1 296.374 2.512 20 30 CFEDMN C=C(C)CN(C)[C@H](C)C(=O)N1[C@@H](C)CCC[C@@H]1C ZINC000181264767 329228354 /nfs/dbraw/zinc/22/83/54/329228354.db2.gz DTCPRMLSZBVDBG-MELADBBJSA-N 0 1 252.402 2.672 20 30 CFEDMN C=C(C)CN(C)Cc1cc(C(=O)OC)oc1CC ZINC000181265410 329228515 /nfs/dbraw/zinc/22/85/15/329228515.db2.gz IFDUCBIFMJADRL-UHFFFAOYSA-N 0 1 251.326 2.637 20 30 CFEDMN C=C(C)C[N@H+](C)[C@H](C)C(=O)N[C@H]1CCC[C@@H](C)[C@H]1C ZINC000181274937 329228840 /nfs/dbraw/zinc/22/88/40/329228840.db2.gz ABOCKCCGCINFEL-TUVASFSCSA-N 0 1 266.429 2.824 20 30 CFEDMN C=C(C)CN(C)[C@H](C)C(=O)N[C@H]1CCC[C@@H](C)[C@H]1C ZINC000181274937 329228841 /nfs/dbraw/zinc/22/88/41/329228841.db2.gz ABOCKCCGCINFEL-TUVASFSCSA-N 0 1 266.429 2.824 20 30 CFEDMN C=C(C)CN(C)[C@H](C)C(=O)N[C@H]1CCCC[C@H]1C ZINC000181302635 329230704 /nfs/dbraw/zinc/23/07/04/329230704.db2.gz XTTWCNWKLGFBEU-MCIONIFRSA-N 0 1 252.402 2.578 20 30 CFEDMN C=C(C)CN(C)[C@H]1CCCN(c2ccccc2F)C1=O ZINC000181324525 329231721 /nfs/dbraw/zinc/23/17/21/329231721.db2.gz VQJWSTNHJFKOKA-HNNXBMFYSA-N 0 1 276.355 2.829 20 30 CFEDMN C=C(C)CN(CC)C(=O)C[N@@H+]1CC[C@H](C)[C@@H]1CC ZINC000185646145 329328356 /nfs/dbraw/zinc/32/83/56/329328356.db2.gz VEYWVEVXMYOPLN-KBPBESRZSA-N 0 1 252.402 2.531 20 30 CFEDMN C=C(C)C[C@@H](C)C(=O)N[C@@H](c1n[nH]c(C)n1)c1ccccc1 ZINC000186153498 329338631 /nfs/dbraw/zinc/33/86/31/329338631.db2.gz SQCKGXAACBJUAV-IUODEOHRSA-N 0 1 298.390 2.921 20 30 CFEDMN C=C(C)COCCNCc1nccn1-c1ccccc1 ZINC000191335592 329412951 /nfs/dbraw/zinc/41/29/51/329412951.db2.gz UYOMQWYFWKMVGH-UHFFFAOYSA-N 0 1 271.364 2.555 20 30 CFEDMN N#CC1CCN(CC2=Cc3ccccc3OC2)CC1 ZINC000123719107 329562114 /nfs/dbraw/zinc/56/21/14/329562114.db2.gz ZFVSIKRWLUMAQP-UHFFFAOYSA-N 0 1 254.333 2.698 20 30 CFEDMN C=C[C@@H]1OCC[C@H]1N[C@H](C)c1ccncc1Cl ZINC000421853770 330088661 /nfs/dbraw/zinc/08/86/61/330088661.db2.gz JUVLMIKZBJMHOQ-WQAKAFBOSA-N 0 1 252.745 2.729 20 30 CFEDMN C=CCC[C@@H](C)NCc1nn(C)cc1Br ZINC000393336202 330239083 /nfs/dbraw/zinc/23/90/83/330239083.db2.gz FVIPZYXXSBLUJV-SECBINFHSA-N 0 1 272.190 2.627 20 30 CFEDMN C=CCn1cc(CNC2CC(c3cccc(F)c3)C2)nn1 ZINC000424289849 330334349 /nfs/dbraw/zinc/33/43/49/330334349.db2.gz AMBPCCXDDPRDEL-UHFFFAOYSA-N 0 1 286.354 2.639 20 30 CFEDMN C=CCn1cc(CN[C@@H]2C[C@H](OCCCC)C2(C)C)nn1 ZINC000424299682 330336944 /nfs/dbraw/zinc/33/69/44/330336944.db2.gz VYOLJNRDJVEMRA-CABCVRRESA-N 0 1 292.427 2.538 20 30 CFEDMN C[C@H](N[C@@H]1CC[C@H](C#N)C1)c1nc2ccccc2n1C ZINC000424330142 330342068 /nfs/dbraw/zinc/34/20/68/330342068.db2.gz QIOZTJBLQVPZPH-RWMBFGLXSA-N 0 1 268.364 2.916 20 30 CFEDMN CO[C@@](C)(CNC[C@H](C#N)CCC#N)c1ccccc1 ZINC000514925625 330467354 /nfs/dbraw/zinc/46/73/54/330467354.db2.gz MDPPMWINJUCFEJ-HOCLYGCPSA-N 0 1 271.364 2.581 20 30 CFEDMN N#CCC1(CNCc2cn3cc(Cl)ccc3n2)CC1 ZINC000430063175 330558317 /nfs/dbraw/zinc/55/83/17/330558317.db2.gz XPJSXWWHZMGIKK-UHFFFAOYSA-N 0 1 274.755 2.771 20 30 CFEDMN N#CC1(CN2CCC(CO)(Cc3ccccc3)CC2)CC1 ZINC000444785597 330825462 /nfs/dbraw/zinc/82/54/62/330825462.db2.gz YSUDCTADAIVPQD-UHFFFAOYSA-N 0 1 284.403 2.607 20 30 CFEDMN C=C(C)[C@@H](NC[C@@H]1COCCO1)c1ccc(F)c(F)c1 ZINC000450776983 330999369 /nfs/dbraw/zinc/99/93/69/330999369.db2.gz LXZNKUPLQAJHJO-IUODEOHRSA-N 0 1 283.318 2.587 20 30 CFEDMN CN1CCN(CC2(C#N)CCC2)C[C@H]1Cc1ccccc1 ZINC000450936154 331008119 /nfs/dbraw/zinc/00/81/19/331008119.db2.gz FBDDOVBLKQJDLP-QGZVFWFLSA-N 0 1 283.419 2.539 20 30 CFEDMN C=C[C@@H]1OCC[C@H]1N[C@H](C)c1nc2ccccc2o1 ZINC000451605637 331036271 /nfs/dbraw/zinc/03/62/71/331036271.db2.gz DSAIIWALORFTQZ-RTXFEEFZSA-N 0 1 258.321 2.822 20 30 CFEDMN C=C[C@@H]1OCC[C@H]1NCc1c(Cl)cccc1[N+](=O)[O-] ZINC000451611812 331036956 /nfs/dbraw/zinc/03/69/56/331036956.db2.gz XSGQDNKEWPVWBD-YPMHNXCESA-N 0 1 282.727 2.681 20 30 CFEDMN C=C[C@@H]1OCC[C@H]1NCc1cccc(C(=O)OC)c1Cl ZINC000451613460 331037017 /nfs/dbraw/zinc/03/70/17/331037017.db2.gz NJBOUTNJXDGOOP-OLZOCXBDSA-N 0 1 295.766 2.560 20 30 CFEDMN N#CCC[C@@H](C#N)CN1CCC[C@@]2(CCSC2)C1 ZINC000451956453 331048278 /nfs/dbraw/zinc/04/82/78/331048278.db2.gz CWDGPGWULKNTOX-UONOGXRCSA-N 0 1 263.410 2.649 20 30 CFEDMN C=CCC1(C(=O)NCc2n[nH]c(C(C)C)n2)CCCC1 ZINC000452423542 331064485 /nfs/dbraw/zinc/06/44/85/331064485.db2.gz LZFQUEQNJTWEQP-UHFFFAOYSA-N 0 1 276.384 2.681 20 30 CFEDMN C=CC(C)(C)CNC(=O)[C@H]1CCc2[nH]c(C(C)C)nc2C1 ZINC000452772478 331075811 /nfs/dbraw/zinc/07/58/11/331075811.db2.gz FLSLBWIOGMTQOX-LBPRGKRZSA-N 0 1 289.423 2.966 20 30 CFEDMN C=CC[C@@H](CO)N[C@H](C)c1ncc(-c2ccccc2)n1C ZINC000453188858 331099085 /nfs/dbraw/zinc/09/90/85/331099085.db2.gz AGGOWAAENGHMON-HIFRSBDPSA-N 0 1 285.391 2.675 20 30 CFEDMN C=C(CC)CNC(=O)NC[C@H](c1cccs1)N(C)C ZINC000455539278 331172573 /nfs/dbraw/zinc/17/25/73/331172573.db2.gz DNXNNWDPBRGXCE-GFCCVEGCSA-N 0 1 281.425 2.616 20 30 CFEDMN C=C(CC)CNC(=O)[C@H](CC)N(C)Cc1ccccc1 ZINC000456811358 331204930 /nfs/dbraw/zinc/20/49/30/331204930.db2.gz JAEJTUNVWFBQRZ-INIZCTEOSA-N 0 1 274.408 2.979 20 30 CFEDMN C=CC(C)(C)CNC(=O)N[C@@H](C)c1n[nH]c([C@H](C)CC)n1 ZINC000458986828 331264262 /nfs/dbraw/zinc/26/42/62/331264262.db2.gz LLRPYEHXJMOWJO-MNOVXSKESA-N 0 1 293.415 2.891 20 30 CFEDMN C=CC(C)(C)CNC(=O)N[C@@H](C)c1n[nH]c(C(C)C)n1 ZINC000458993723 331264998 /nfs/dbraw/zinc/26/49/98/331264998.db2.gz XUKTZGCJFPEWGX-JTQLQIEISA-N 0 1 279.388 2.501 20 30 CFEDMN C=CCC1(CNC(=O)N[C@H](C)c2n[nH]c(C)n2)CCCC1 ZINC000459112800 331270766 /nfs/dbraw/zinc/27/07/66/331270766.db2.gz UVZGZBHNURBLNN-LLVKDONJSA-N 0 1 291.399 2.610 20 30 CFEDMN CO[C@H](CN[C@@H]1CCC[C@@H]1C#N)Cc1ccccc1 ZINC000459454272 331282100 /nfs/dbraw/zinc/28/21/00/331282100.db2.gz CXQPBLAYRVKRLX-OWCLPIDISA-N 0 1 258.365 2.526 20 30 CFEDMN CCc1cccc(OCCN[C@H]2CCC[C@@H]2C#N)c1 ZINC000459469524 331283264 /nfs/dbraw/zinc/28/32/64/331283264.db2.gz RNLYVYDYOLZELP-ZBFHGGJFSA-N 0 1 258.365 2.910 20 30 CFEDMN C=CCC[C@H](O)CN[C@H](C)c1nc2c(s1)CCC2 ZINC000459642793 331291874 /nfs/dbraw/zinc/29/18/74/331291874.db2.gz ZTLAFJQFUNOTLB-MNOVXSKESA-N 0 1 266.410 2.610 20 30 CFEDMN CC(C)(CC#N)CNCc1csc([N+](=O)[O-])c1 ZINC000459661162 331292741 /nfs/dbraw/zinc/29/27/41/331292741.db2.gz AEBSDUVLGAOIOP-UHFFFAOYSA-N 0 1 253.327 2.686 20 30 CFEDMN CC#CCCN1CCN(c2cccc(C)c2C)CC1 ZINC000462316537 331319261 /nfs/dbraw/zinc/31/92/61/331319261.db2.gz LTHCETLRVITPEU-UHFFFAOYSA-N 0 1 256.393 2.839 20 30 CFEDMN C=CCn1cccc1C(=O)Nc1cccc(-c2cn[nH]n2)c1 ZINC000488914897 332033505 /nfs/dbraw/zinc/03/35/05/332033505.db2.gz RKSCYGZAPZLMBS-UHFFFAOYSA-N 0 1 293.330 2.712 20 30 CFEDMN C=C(CNC(=O)C(C)(C)c1cnc[nH]1)c1ccccc1 ZINC000488918690 332033896 /nfs/dbraw/zinc/03/38/96/332033896.db2.gz YYSQUUJDKMDZIM-UHFFFAOYSA-N 0 1 269.348 2.517 20 30 CFEDMN C#CCN1CCC(C(=O)OCc2cc3ccccc3o2)CC1 ZINC000490852085 332120471 /nfs/dbraw/zinc/12/04/71/332120471.db2.gz LDOOUHATDJOEBI-UHFFFAOYSA-N 0 1 297.354 2.821 20 30 CFEDMN C#CCN1CCC(C(=O)N2CC(C)(C)CC(C)(C)C2)CC1 ZINC000490996784 332137569 /nfs/dbraw/zinc/13/75/69/332137569.db2.gz PQFGRBZTZCKBHJ-UHFFFAOYSA-N 0 1 290.451 2.616 20 30 CFEDMN C#CCN(CCc1c(C)noc1C)Cc1ccccc1 ZINC000491071653 332146587 /nfs/dbraw/zinc/14/65/87/332146587.db2.gz MOVJTNVTAKMGOL-UHFFFAOYSA-N 0 1 268.360 2.969 20 30 CFEDMN C#C[C@H](CC)NCc1conc1Cc1ccccc1 ZINC000491180458 332161446 /nfs/dbraw/zinc/16/14/46/332161446.db2.gz LXOYPMZDDISRJF-OAHLLOKOSA-N 0 1 254.333 2.767 20 30 CFEDMN C#C[C@@H](CCC)NC(=O)[C@H]1CCc2[nH]c(C(C)C)nc2C1 ZINC000491361341 332196904 /nfs/dbraw/zinc/19/69/04/332196904.db2.gz KUHWODZESOSVRL-STQMWFEESA-N 0 1 287.407 2.556 20 30 CFEDMN C[C@@H](C#N)CN(C)CC1CCN(C(=O)OC(C)(C)C)CC1 ZINC000491427833 332209895 /nfs/dbraw/zinc/20/98/95/332209895.db2.gz JSNCIARJEXVXJZ-ZDUSSCGKSA-N 0 1 295.427 2.725 20 30 CFEDMN C#C[C@@H](C)N(C)Cc1ccc(OC(C)C)c(OC)c1 ZINC000491702876 332296921 /nfs/dbraw/zinc/29/69/21/332296921.db2.gz HEERUUSSYYLWJW-CYBMUJFWSA-N 0 1 261.365 2.936 20 30 CFEDMN C#CCn1ccc(CN(CC)CCc2cccc(C)c2)n1 ZINC000491723049 332307962 /nfs/dbraw/zinc/30/79/62/332307962.db2.gz AOUQFVHLMAXWAS-UHFFFAOYSA-N 0 1 281.403 2.889 20 30 CFEDMN COc1cc(C)nc(CNCc2ccc(CC#N)cc2)c1 ZINC000575400585 335100860 /nfs/dbraw/zinc/10/08/60/335100860.db2.gz KLRXOYHNWNAWHF-UHFFFAOYSA-N 0 1 281.359 2.755 20 30 CFEDMN C#CC[N@H+](Cc1cn(C)nc1-c1cccs1)C1CC1 ZINC000491762170 332332336 /nfs/dbraw/zinc/33/23/36/332332336.db2.gz ZDGGDOVIGBRMAU-UHFFFAOYSA-N 0 1 271.389 2.746 20 30 CFEDMN C#CCN(Cc1cn(C)nc1-c1cccs1)C1CC1 ZINC000491762170 332332338 /nfs/dbraw/zinc/33/23/38/332332338.db2.gz ZDGGDOVIGBRMAU-UHFFFAOYSA-N 0 1 271.389 2.746 20 30 CFEDMN C=C1CCN(C[C@H](C)NC(=O)OC(C)(C)C)CC1 ZINC000492256411 332389060 /nfs/dbraw/zinc/38/90/60/332389060.db2.gz FFITUCXMWLZWIE-LBPRGKRZSA-N 0 1 254.374 2.552 20 30 CFEDMN N#CCC1CCN([C@H]2CCc3ccccc3NC2=O)CC1 ZINC000336425452 335106101 /nfs/dbraw/zinc/10/61/01/335106101.db2.gz YQYKOTOMKDLFBA-INIZCTEOSA-N 0 1 283.375 2.566 20 30 CFEDMN CC(C)(C)OC(=O)NC[C@H](NCCC#N)C1CCCC1 ZINC000496441610 332549764 /nfs/dbraw/zinc/54/97/64/332549764.db2.gz WAOAQKLTQQQHLJ-ZDUSSCGKSA-N 0 1 281.400 2.573 20 30 CFEDMN N#CCCC[N@@H+]1CCCC[C@@H]1CNC(=O)c1ccccc1 ZINC000175166603 333015957 /nfs/dbraw/zinc/01/59/57/333015957.db2.gz DRBRIFAEAAMBNI-MRXNPFEDSA-N 0 1 285.391 2.575 20 30 CFEDMN N#CCCCN1CCCC[C@@H]1CNC(=O)c1ccccc1 ZINC000175166603 333015958 /nfs/dbraw/zinc/01/59/58/333015958.db2.gz DRBRIFAEAAMBNI-MRXNPFEDSA-N 0 1 285.391 2.575 20 30 CFEDMN C=C(C)CN(CC)C(=O)c1cc(-c2ccoc2)[nH]n1 ZINC000516753261 333081746 /nfs/dbraw/zinc/08/17/46/333081746.db2.gz NQNQXYIFQWEMGW-UHFFFAOYSA-N 0 1 259.309 2.708 20 30 CFEDMN C#CCNC(=O)[C@H](C)N[C@H](C)c1oc2ccccc2c1C ZINC000183570763 333121261 /nfs/dbraw/zinc/12/12/61/333121261.db2.gz RNNLHBFEDQGYLI-OLZOCXBDSA-N 0 1 284.359 2.530 20 30 CFEDMN CCc1ccc([C@H](C#N)NC(=O)[C@@H](C)Cc2cnc[nH]2)cc1 ZINC000565198079 333121999 /nfs/dbraw/zinc/12/19/99/333121999.db2.gz TXBAKTHRQNPCRX-LRDDRELGSA-N 0 1 296.374 2.532 20 30 CFEDMN CCC1(CC)CN(CCCC(C)(C)C#N)CC[S@]1=O ZINC000185241334 333137306 /nfs/dbraw/zinc/13/73/06/333137306.db2.gz LZXUPSJMZYTBJF-LJQANCHMSA-N 0 1 284.469 2.939 20 30 CFEDMN C=C(C)C[C@H](C)C(=O)N1CCN(CCOC)[C@H](CCC)C1 ZINC000185971250 333152662 /nfs/dbraw/zinc/15/26/62/333152662.db2.gz LKFPVCOGZZEMSX-JKSUJKDBSA-N 0 1 296.455 2.548 20 30 CFEDMN Cc1ccc(C(=O)C(C#N)c2nc3ccccc3n2C)o1 ZINC000193380522 333249083 /nfs/dbraw/zinc/24/90/83/333249083.db2.gz MRKSZIMKEWNTBN-NSHDSACASA-N 0 1 279.299 2.965 20 30 CFEDMN C#C[C@@H](CC)NCc1cc(OC)c(OC)cc1SC ZINC000229896573 333311011 /nfs/dbraw/zinc/31/10/11/333311011.db2.gz ILWJIKUYZJRTIM-LBPRGKRZSA-N 0 1 279.405 2.927 20 30 CFEDMN C=CCCN1CC[C@@H]1CN(C)C(=O)c1cc(C)c(C)o1 ZINC001085550069 782096045 /nfs/dbraw/zinc/09/60/45/782096045.db2.gz KEMJFFTVFPIQLW-CQSZACIVSA-N 0 1 276.380 2.619 20 30 CFEDMN COC(=O)c1ccccc1CN1CCC(CC#N)CC1 ZINC000542258379 333818994 /nfs/dbraw/zinc/81/89/94/333818994.db2.gz VAHGSVAEXQUOIK-UHFFFAOYSA-N 0 1 272.348 2.599 20 30 CFEDMN C[C@@H](C(=O)N(C)c1ccccc1)N1CCC(CC#N)CC1 ZINC000542879785 333847588 /nfs/dbraw/zinc/84/75/88/333847588.db2.gz VTSZFCQTCPQBIP-AWEZNQCLSA-N 0 1 285.391 2.664 20 30 CFEDMN CC[C@@H](CC#N)NC(=O)c1cccc(Br)c1O ZINC000545155181 333964920 /nfs/dbraw/zinc/96/49/20/333964920.db2.gz GIRCBAHTGJTEMJ-QMMMGPOBSA-N 0 1 297.152 2.577 20 30 CFEDMN C[C@H]1CCCN(CC#Cc2cccc(Cl)c2)[C@@H]1CO ZINC000132841421 334007440 /nfs/dbraw/zinc/00/74/40/334007440.db2.gz FQXIFPCJQDIZJO-XJKSGUPXSA-N 0 1 277.795 2.784 20 30 CFEDMN C=CCOCCN1C[C@@H](C2CCCCC2)C[C@@H]1C(=O)OC ZINC000549861002 334207159 /nfs/dbraw/zinc/20/71/59/334207159.db2.gz VQWRPXTUGRGLOF-JKSUJKDBSA-N 0 1 295.423 2.633 20 30 CFEDMN C=CCOCCN1C[C@H](C2CCCCC2)C[C@H]1C(=O)OC ZINC000549860993 334207178 /nfs/dbraw/zinc/20/71/78/334207178.db2.gz VQWRPXTUGRGLOF-CVEARBPZSA-N 0 1 295.423 2.633 20 30 CFEDMN N#CC(C(=O)c1cnc([C@@H]2CCCO2)s1)c1ccccn1 ZINC000089966709 334354421 /nfs/dbraw/zinc/35/44/21/334354421.db2.gz UGHDNAFMVWPSID-PWSUYJOCSA-N 0 1 299.355 2.880 20 30 CFEDMN Cc1ccc(-c2[nH][nH]c(=NC(=O)C3(C#N)CC(C)C3)c2C)o1 ZINC000566601114 334656940 /nfs/dbraw/zinc/65/69/40/334656940.db2.gz ZECCRVGBNILVSW-UHFFFAOYSA-N 0 1 298.346 2.587 20 30 CFEDMN C#CCN1CCC(C(=O)N2CCC[C@H]2[C@@H](C)CCC)CC1 ZINC000155800905 334729838 /nfs/dbraw/zinc/72/98/38/334729838.db2.gz DANOECBSMKQVAS-RDJZCZTQSA-N 0 1 290.451 2.759 20 30 CFEDMN CCc1ccccc1NC(=O)C[C@@H](C)NC[C@@H](C)C#N ZINC000183836138 335909272 /nfs/dbraw/zinc/90/92/72/335909272.db2.gz YLBZGFGQXRRCGN-QWHCGFSZSA-N 0 1 273.380 2.715 20 30 CFEDMN Cc1cccc(NC(=O)C[C@@H](C)NC[C@@H](C)C#N)c1C ZINC000183840501 335909518 /nfs/dbraw/zinc/90/95/18/335909518.db2.gz YPBJLHYCZVKSAF-WCQYABFASA-N 0 1 273.380 2.770 20 30 CFEDMN Cc1c(C#N)cccc1-c1nc(C2(N)CCCC2)no1 ZINC000414623097 533714967 /nfs/dbraw/zinc/71/49/67/533714967.db2.gz TWONGNZYRIXMNT-UHFFFAOYSA-N 0 1 268.320 2.645 20 30 CFEDMN CC[C@H](CC#N)NCc1ccc(-n2ccnc2)cc1C ZINC000582012078 336191646 /nfs/dbraw/zinc/19/16/46/336191646.db2.gz VZDDRPKENTZGLQ-OAHLLOKOSA-N 0 1 268.364 2.963 20 30 CFEDMN C#CCCN1CC[C@@H]1CN(C)C(=O)[C@H]1CCCC2(CC2)C1 ZINC001085594159 782110268 /nfs/dbraw/zinc/11/02/68/782110268.db2.gz AHAOVQOKSMIRDP-JKSUJKDBSA-N 0 1 288.435 2.513 20 30 CFEDMN C=CCN1CC[C@@H]1CN(C)C(=O)c1cccc2ncccc21 ZINC001085750757 782150959 /nfs/dbraw/zinc/15/09/59/782150959.db2.gz OEUYUOUVBFNDLD-CQSZACIVSA-N 0 1 295.386 2.567 20 30 CFEDMN COC(=O)c1cc(CN(C)[C@@H](C)c2cccc(C#N)c2)c[nH]1 ZINC000425368137 533780467 /nfs/dbraw/zinc/78/04/67/533780467.db2.gz WCEFEROBYVFTSM-LBPRGKRZSA-N 0 1 297.358 2.866 20 30 CFEDMN COc1cc(CN[C@H]2COCc3ccccc32)ccc1C#N ZINC000521986967 518134076 /nfs/dbraw/zinc/13/40/76/518134076.db2.gz YJOPLVXSZHGBAO-KRWDZBQOSA-N 0 1 294.354 2.928 20 30 CFEDMN Cc1cnc([C@H](C)NC(=O)[C@@H]2CCCN2C2CC2)o1 ZINC000330233807 534629936 /nfs/dbraw/zinc/62/99/36/534629936.db2.gz SIRZPPSPUYNUCE-JQWIXIFHSA-N 0 1 263.341 2.627 20 30 CFEDMN COC[C@@H]1CCN(Cc2ncc(-c3ccc(C#N)cc3)o2)C1 ZINC000361201623 522473950 /nfs/dbraw/zinc/47/39/50/522473950.db2.gz NBYIQEHMPGDUEH-CQSZACIVSA-N 0 1 297.358 2.682 20 30 CFEDMN CN(CC(=O)Nc1cccc(C#N)c1)CC1CCCC1 ZINC000049492137 522509218 /nfs/dbraw/zinc/50/92/18/522509218.db2.gz OCDAVEJXBZMWJG-UHFFFAOYSA-N 0 1 271.364 2.619 20 30 CFEDMN O=C(N[C@@H]1CCCc2cn[nH]c21)N1CCC(C(F)F)CC1 ZINC000330130270 534761905 /nfs/dbraw/zinc/76/19/05/534761905.db2.gz KINCTPNZGCTRLR-LLVKDONJSA-N 0 1 298.337 2.678 20 30 CFEDMN C[C@H]1CSC[C@@H]1NCc1ccc(F)cc1C#N ZINC000335149988 524761170 /nfs/dbraw/zinc/76/11/70/524761170.db2.gz CBMDHGXYHHBTMU-ZANVPECISA-N 0 1 250.342 2.538 20 30 CFEDMN C[C@@H](NCc1ccc(C#N)c(F)c1)c1ccccn1 ZINC000192173767 525519054 /nfs/dbraw/zinc/51/90/54/525519054.db2.gz JCTPJUOUQHINPN-LLVKDONJSA-N 0 1 255.296 2.943 20 30 CFEDMN C[C@H](N[C@@H](CO)c1ccccc1)c1cccc(C#N)c1 ZINC000063000374 525544137 /nfs/dbraw/zinc/54/41/37/525544137.db2.gz AXJVOXRBGIVAGR-GUYCJALGSA-N 0 1 266.344 2.942 20 30 CFEDMN C[C@@H](N[C@@H](C)c1ccc(C#N)cc1)c1ccnn1C ZINC000235517966 525607490 /nfs/dbraw/zinc/60/74/90/525607490.db2.gz KSYZIUIWNKTIAI-NWDGAFQWSA-N 0 1 254.337 2.704 20 30 CFEDMN C=CCN(CCC[C@H](C)O)Cc1ccccc1F ZINC000354871236 526275990 /nfs/dbraw/zinc/27/59/90/526275990.db2.gz MLSVSCBQJFKCHP-ZDUSSCGKSA-N 0 1 251.345 2.975 20 30 CFEDMN C=CCN(Cc1ccc(Cl)s1)C[C@H](O)COCC ZINC000113498769 526336504 /nfs/dbraw/zinc/33/65/04/526336504.db2.gz SNZKEYAWFATIBZ-NSHDSACASA-N 0 1 289.828 2.787 20 30 CFEDMN CC#CCN(Cc1cccs1)[C@H]1C=C[C@H](CO)C1 ZINC000347339653 526362212 /nfs/dbraw/zinc/36/22/12/526362212.db2.gz MQDGQHVLNDOQQG-KBPBESRZSA-N 0 1 261.390 2.510 20 30 CFEDMN N#Cc1c(CN2CCC[C@@]3(CCOC3)C2)cn2ccccc12 ZINC000334818869 526518661 /nfs/dbraw/zinc/51/86/61/526518661.db2.gz HKEDKLSTRBYCIY-GOSISDBHSA-N 0 1 295.386 2.813 20 30 CFEDMN N#Cc1c(F)cccc1CN1CCC[C@H]2COCC[C@@H]21 ZINC000336111899 526523901 /nfs/dbraw/zinc/52/39/01/526523901.db2.gz OOYOAEYLUAFIKS-BBRMVZONSA-N 0 1 274.339 2.698 20 30 CFEDMN C=C(C)CN(CC)C(=O)CN[C@@H](c1cccnc1)C1CC1 ZINC000347336730 526526976 /nfs/dbraw/zinc/52/69/76/526526976.db2.gz GBHOWGCRZYINRW-QGZVFWFLSA-N 0 1 287.407 2.547 20 30 CFEDMN C=C(C)CN(CCSCC)Cc1ccc(CO)o1 ZINC000352808042 526553884 /nfs/dbraw/zinc/55/38/84/526553884.db2.gz YELHVVVIMWQZCC-UHFFFAOYSA-N 0 1 269.410 2.903 20 30 CFEDMN Cc1noc(C2CCN(Cc3cccc(C#N)c3)CC2)n1 ZINC000054678734 526589276 /nfs/dbraw/zinc/58/92/76/526589276.db2.gz ITUGBJLAHCAFFB-UHFFFAOYSA-N 0 1 282.347 2.629 20 30 CFEDMN N#Cc1ccc(CN[C@H](CCO)c2ccccc2)cc1F ZINC000361868646 526626892 /nfs/dbraw/zinc/62/68/92/526626892.db2.gz NWPJLZHAAKFNBB-QGZVFWFLSA-N 0 1 284.334 2.911 20 30 CFEDMN N#Cc1cccc(C[N@@H+]2CCCC[C@@H]2CCC(=O)[O-])c1 ZINC000050924779 526703037 /nfs/dbraw/zinc/70/30/37/526703037.db2.gz OGEUTTLDKIUUAO-OAHLLOKOSA-N 0 1 272.348 2.778 20 30 CFEDMN N#Cc1ccccc1CN1CC[C@@]2(O)CCCC[C@@H]2C1 ZINC000160439671 526736994 /nfs/dbraw/zinc/73/69/94/526736994.db2.gz VAUVNSOCMOESHP-SJORKVTESA-N 0 1 270.376 2.685 20 30 CFEDMN C=C(C)[C@@H]1OCC[C@@H]1c1nc(-c2ccn3cncc3c2)no1 ZINC000347205103 526784057 /nfs/dbraw/zinc/78/40/57/526784057.db2.gz VHRIVNALKPIUHO-KBPBESRZSA-N 0 1 296.330 2.833 20 30 CFEDMN CC(C)(C)c1nc(CNc2c(F)cc(C#N)cc2F)n[nH]1 ZINC000413425255 526846796 /nfs/dbraw/zinc/84/67/96/526846796.db2.gz YUFSNLKXZIWPMD-UHFFFAOYSA-N 0 1 291.305 2.864 20 30 CFEDMN CC(C)(C)c1nc(CNc2ncc(C#N)cc2Cl)n[nH]1 ZINC000413424093 526850131 /nfs/dbraw/zinc/85/01/31/526850131.db2.gz WGTUVRQJMBWQPT-UHFFFAOYSA-N 0 1 290.758 2.634 20 30 CFEDMN C=CCC(C)(C)C(=O)N1CCN(CCOC)[C@H](CCC)C1 ZINC000344567830 526988020 /nfs/dbraw/zinc/98/80/20/526988020.db2.gz DVTSPCIYGVDVOM-OAHLLOKOSA-N 0 1 296.455 2.548 20 30 CFEDMN Cn1cc(CNCc2ccc(Cl)cc2F)cc1C#N ZINC000191617405 527218128 /nfs/dbraw/zinc/21/81/28/527218128.db2.gz SZUHXVMVBPIDFN-UHFFFAOYSA-N 0 1 277.730 2.979 20 30 CFEDMN Cc1ncc(C(=O)N(Cc2ccc(C#N)cc2)CC(C)C)[nH]1 ZINC000339225659 527226159 /nfs/dbraw/zinc/22/61/59/527226159.db2.gz BDUSQXUJSUAHNC-UHFFFAOYSA-N 0 1 296.374 2.888 20 30 CFEDMN C=CCCC[C@H](C)NC(=O)N1CCN([C@@H](C)CC)CC1 ZINC000458621184 527286718 /nfs/dbraw/zinc/28/67/18/527286718.db2.gz OHRIFPDNYLUCJP-GJZGRUSLSA-N 0 1 281.444 2.857 20 30 CFEDMN C=CCCN(C)C(=O)[C@H](CC)N(C)Cc1ccccc1 ZINC000355977159 527314552 /nfs/dbraw/zinc/31/45/52/527314552.db2.gz GNIHUNHCIDUDEZ-INIZCTEOSA-N 0 1 274.408 2.932 20 30 CFEDMN C=CCn1c(SCc2c[nH]nn2)nnc1-c1ccccc1 ZINC000352155634 527343233 /nfs/dbraw/zinc/34/32/33/527343233.db2.gz YQRDHHWYHZSFTI-UHFFFAOYSA-N 0 1 298.375 2.542 20 30 CFEDMN C=C[C@@H]1CCCCN1Cc1cc(=O)n2cccc(C)c2n1 ZINC000334657483 527457442 /nfs/dbraw/zinc/45/74/42/527457442.db2.gz WWBYYSLWVGVCFT-OAHLLOKOSA-N 0 1 283.375 2.543 20 30 CFEDMN CC(C)(C#N)CNC(=O)c1c(O)cc(Cl)cc1Cl ZINC000336144035 527483501 /nfs/dbraw/zinc/48/35/01/527483501.db2.gz CJPPQCUAWKQIFJ-UHFFFAOYSA-N 0 1 287.146 2.979 20 30 CFEDMN C=C[C@H](CO)N[C@H](COC)c1cccc(C(F)(F)F)c1 ZINC000353576753 527595433 /nfs/dbraw/zinc/59/54/33/527595433.db2.gz OQFYKRHCXAPKIX-CHWSQXEVSA-N 0 1 289.297 2.529 20 30 CFEDMN C=CCN(CC=C)CCC(=O)Nc1ccc(C(C)=O)cc1 ZINC000114723759 527642295 /nfs/dbraw/zinc/64/22/95/527642295.db2.gz QXTLFIFHSZRYQY-UHFFFAOYSA-N 0 1 286.375 2.892 20 30 CFEDMN COC[C@H]1CCCN(Cc2cccc(F)c2C#N)CC1 ZINC000452101267 536528510 /nfs/dbraw/zinc/52/85/10/536528510.db2.gz JGHVECZEYSDIEN-ZDUSSCGKSA-N 0 1 276.355 2.946 20 30 CFEDMN CCOC(=O)c1ccc(C(=O)C(C#N)c2ccccn2)cc1 ZINC000355091877 528208170 /nfs/dbraw/zinc/20/81/70/528208170.db2.gz AIPPJRBMBGJFOQ-AWEZNQCLSA-N 0 1 294.310 2.748 20 30 CFEDMN CC(C)[C@@H](C(=O)Nc1nncn1C1CC1)N1CCCCC1 ZINC000329109228 528377923 /nfs/dbraw/zinc/37/79/23/528377923.db2.gz IVRVTHQNJYIQOM-ZDUSSCGKSA-N 0 1 291.399 2.712 20 30 CFEDMN CCOc1cccnc1C(=O)N[C@@H]1CCCc2cn[nH]c21 ZINC000330120522 528761738 /nfs/dbraw/zinc/76/17/38/528761738.db2.gz JAMCVXPMYXAXJN-LLVKDONJSA-N 0 1 286.335 2.586 20 30 CFEDMN CCC1(C)CCN(C([O-])=[NH+][C@@H]2CCn3ccnc3C2)CC1 ZINC000330276762 529017268 /nfs/dbraw/zinc/01/72/68/529017268.db2.gz NJJHMCZBPNMADY-CYBMUJFWSA-N 0 1 290.411 2.624 20 30 CFEDMN CC[C@@H](C(=O)N(C)C[C@@H](C)C#N)N(C)Cc1ccccc1 ZINC000352776441 529271458 /nfs/dbraw/zinc/27/14/58/529271458.db2.gz SLMNBKJWSJUFCI-HOCLYGCPSA-N 0 1 287.407 2.515 20 30 CFEDMN CC[C@H](C)c1nc([C@@H](C)NC(=O)[C@@H]2CCCO2)n[nH]1 ZINC000330187668 529276169 /nfs/dbraw/zinc/27/61/69/529276169.db2.gz KOQINARLNNNYAT-AEJSXWLSSA-N 0 1 266.345 2.515 20 30 CFEDMN CCN(C)c1ccc(CNCc2ccc(C#N)c(F)c2)cn1 ZINC000449736465 535764682 /nfs/dbraw/zinc/76/46/82/535764682.db2.gz MSDYTBDECIVDFN-UHFFFAOYSA-N 0 1 298.365 2.838 20 30 CFEDMN CC[C@H](C)N1CCN(C(=O)[C@H](C)c2cccc(C#N)c2)CC1 ZINC000456520813 536147172 /nfs/dbraw/zinc/14/71/72/536147172.db2.gz KHZBOAJGPZNQQL-LSDHHAIUSA-N 0 1 299.418 2.604 20 30 CFEDMN CN(Cc1ccccc1)C1CN(Cc2ccc(C#N)cc2)C1 ZINC000459591989 536480558 /nfs/dbraw/zinc/48/05/58/536480558.db2.gz MEPSUZSGKVMRQM-UHFFFAOYSA-N 0 1 291.398 2.874 20 30 CFEDMN C=CCCN1CC[C@@H]1CN(C)C(=O)c1occc1Cl ZINC001085801172 782171705 /nfs/dbraw/zinc/17/17/05/782171705.db2.gz LKCGGOANHKCSSL-LLVKDONJSA-N 0 1 282.771 2.655 20 30 CFEDMN N#Cc1ccc(O)c(NC(=O)C[C@@H]2CC[C@@H](C3CC3)O2)c1 ZINC000935106370 649876089 /nfs/dbraw/zinc/87/60/89/649876089.db2.gz DCJGHOYIEZMFTO-WFASDCNBSA-N 0 1 286.331 2.550 20 30 CFEDMN C=C[C@@H](CC)CC(=O)N1CCN(CCOC)[C@H](CCC)C1 ZINC000935172575 649882408 /nfs/dbraw/zinc/88/24/08/649882408.db2.gz VIVQDWCTPSBXKL-JKSUJKDBSA-N 0 1 296.455 2.548 20 30 CFEDMN C=C[C@H](CC)CC(=O)N[C@H](c1nnc[nH]1)c1ccccc1 ZINC000935270817 649893231 /nfs/dbraw/zinc/89/32/31/649893231.db2.gz GBENVDGYKZJGCF-DOMZBBRYSA-N 0 1 284.363 2.613 20 30 CFEDMN C=C(C)CN1CC[C@@H]1CN(C)C(=O)c1cccc2[nH]ccc21 ZINC001085834751 782179863 /nfs/dbraw/zinc/17/98/63/782179863.db2.gz SRMVZKGGSOEKDV-CQSZACIVSA-N 0 1 297.402 2.890 20 30 CFEDMN C#CCNC(=O)CN1CCCCC[C@@H]1/C=C\c1ccccc1 ZINC000753862255 574052286 /nfs/dbraw/zinc/05/22/86/574052286.db2.gz OCKHFPVRBNRZIY-MENFKHAKSA-N 0 1 296.414 2.694 20 30 CFEDMN Cc1ccc2c(c1)C(=NNC1=N[C@H]3CCCC[C@@H]3N1)CC2 ZINC000753935446 574055950 /nfs/dbraw/zinc/05/59/50/574055950.db2.gz NUVYSFRLVUPHKB-HOTGVXAUSA-N 0 1 282.391 2.505 20 30 CFEDMN Cc1cccc2[nH]cc(C=NNC3=N[C@@H]4CCCC[C@@H]4N3)c21 ZINC000753934137 574056185 /nfs/dbraw/zinc/05/61/85/574056185.db2.gz GYUFLMFWJOIWGV-OKILXGFUSA-N 0 1 295.390 2.670 20 30 CFEDMN C(=NNC1=N[C@@H]2CCCC[C@H]2N1)c1ccccc1C1CC1 ZINC000753936344 574056540 /nfs/dbraw/zinc/05/65/40/574056540.db2.gz SYJZSTGYPHJBNM-HZPDHXFCSA-N 0 1 282.391 2.758 20 30 CFEDMN C[C@@H]1C[C@@H]1c1ccc(C=NNC2=N[C@H]3CCCC[C@@H]3N2)o1 ZINC000753936783 574056544 /nfs/dbraw/zinc/05/65/44/574056544.db2.gz WBLRQRLDJWNYMN-SAXRGWBVSA-N 0 1 286.379 2.597 20 30 CFEDMN Cc1ccc2c(C=NNC3=N[C@@H]4CCCC[C@@H]4N3)c[nH]c2c1 ZINC000753937248 574056580 /nfs/dbraw/zinc/05/65/80/574056580.db2.gz DAIHXCWVJHAKHC-GASCZTMLSA-N 0 1 295.390 2.670 20 30 CFEDMN CC(C)[N@@H+](CCCOc1ccc(C#N)cc1)CCC(=O)[O-] ZINC000736468516 574056752 /nfs/dbraw/zinc/05/67/52/574056752.db2.gz SXFRMWAPJJSWTH-UHFFFAOYSA-N 0 1 290.363 2.512 20 30 CFEDMN C#CCN(CC(=O)N[C@@H]1CCCC[C@H]1C)C1CCCCC1 ZINC000744212537 574061711 /nfs/dbraw/zinc/06/17/11/574061711.db2.gz GWMMIMBCKSEIOL-NVXWUHKLSA-N 0 1 290.451 2.949 20 30 CFEDMN C=CCOCC(=O)C(C#N)c1nc2cc(F)ccc2s1 ZINC000730416429 574080604 /nfs/dbraw/zinc/08/06/04/574080604.db2.gz CZMXTBPCZXTSFW-JTQLQIEISA-N 0 1 290.319 2.814 20 30 CFEDMN C#C[C@H](CC)NC(=O)[C@@H](c1ccccc1)N(CC)CC ZINC000754379202 574092278 /nfs/dbraw/zinc/09/22/78/574092278.db2.gz KCEMUGJOLQUWAT-HZPDHXFCSA-N 0 1 272.392 2.598 20 30 CFEDMN OCC[C@H](NCC#Cc1ccc(F)cc1)c1cccs1 ZINC000754382720 574092691 /nfs/dbraw/zinc/09/26/91/574092691.db2.gz MYWHKLXYHYTVSA-HNNXBMFYSA-N 0 1 289.375 2.952 20 30 CFEDMN C#Cc1cccc(N(C)C(=O)c2cccc3[nH]ncc32)c1 ZINC000728536645 574099379 /nfs/dbraw/zinc/09/93/79/574099379.db2.gz UAFMDFNXVMOBOP-UHFFFAOYSA-N 0 1 275.311 2.821 20 30 CFEDMN C#C[C@H](CC)NC(=O)c1c(O)cc(Cl)cc1Cl ZINC000754389745 574102421 /nfs/dbraw/zinc/10/24/21/574102421.db2.gz JFWFFNPDMNVMOW-MRVPVSSYSA-N 0 1 272.131 2.841 20 30 CFEDMN CC(=NNc1ccc(F)cn1)c1ccc2[nH]c(=O)[nH]c2c1 ZINC000731321208 574116546 /nfs/dbraw/zinc/11/65/46/574116546.db2.gz FXFTTYXDXRQRCL-UHFFFAOYSA-N 0 1 285.282 2.639 20 30 CFEDMN Fc1ccc(N=NCc2cnn(Cc3ccccc3)c2)nc1 ZINC000731321151 574116646 /nfs/dbraw/zinc/11/66/46/574116646.db2.gz DJLVYXDFIRPRLK-UHFFFAOYSA-N 0 1 295.321 2.912 20 30 CFEDMN Cc1ccc(C=NNCCN2CCCCC2)cc1F ZINC000731486113 574121838 /nfs/dbraw/zinc/12/18/38/574121838.db2.gz CYSDZYYLTRNRNX-UHFFFAOYSA-N 0 1 263.360 2.544 20 30 CFEDMN CCCCCCCCNC(=O)c1[nH]nc2c1CCC2 ZINC000754854400 574124913 /nfs/dbraw/zinc/12/49/13/574124913.db2.gz MUGUIZDGZPHUCD-UHFFFAOYSA-N 0 1 263.385 2.989 20 30 CFEDMN C[C@H](CC#N)N(C)Cc1c(O)ccc2ccncc21 ZINC000728901645 574135452 /nfs/dbraw/zinc/13/54/52/574135452.db2.gz PHUJWUVRCZWGPN-LLVKDONJSA-N 0 1 255.321 2.674 20 30 CFEDMN C[C@H](c1ccc(C#N)cc1)N(C)Cc1cccc(C(N)=O)c1 ZINC000746124160 574135551 /nfs/dbraw/zinc/13/55/51/574135551.db2.gz BFWUWSJEZGBAGI-CYBMUJFWSA-N 0 1 293.370 2.850 20 30 CFEDMN Cc1cc(N=NC(C)c2ccc(N(C)C)cc2)ncn1 ZINC000731935827 574135614 /nfs/dbraw/zinc/13/56/14/574135614.db2.gz TXDPADAPPFUARF-UHFFFAOYSA-N 0 1 269.352 2.687 20 30 CFEDMN C[N@@H+](Cc1ccc(C#N)cc1F)[C@H](C(=O)[O-])c1ccccc1 ZINC000737451586 574142088 /nfs/dbraw/zinc/14/20/88/574142088.db2.gz QOHTWPSQTZDPNG-INIZCTEOSA-N 0 1 298.317 2.955 20 30 CFEDMN C[N@@H+](Cc1ccccc1C#N)[C@@H](C(=O)[O-])c1ccccc1 ZINC000737491810 574144956 /nfs/dbraw/zinc/14/49/56/574144956.db2.gz KAZJGIQJIMOWRB-MRXNPFEDSA-N 0 1 280.327 2.816 20 30 CFEDMN C=C(Br)C[N@H+](C)[C@H](Cc1ccccc1)C(=O)[O-] ZINC000737495127 574145083 /nfs/dbraw/zinc/14/50/83/574145083.db2.gz GOSAYJAKOMCISY-GFCCVEGCSA-N 0 1 298.180 2.523 20 30 CFEDMN Fc1c(Cl)cccc1N=NCc1cnc2cnccn12 ZINC000746370063 574146850 /nfs/dbraw/zinc/14/68/50/574146850.db2.gz GHQZQIXITBDEHV-UHFFFAOYSA-N 0 1 289.701 2.968 20 30 CFEDMN C=CC1CCN([C@H]2CC(=O)N(c3ccc(C)cc3)C2=O)CC1 ZINC000732227290 574147624 /nfs/dbraw/zinc/14/76/24/574147624.db2.gz BFMFKFJMAQESES-INIZCTEOSA-N 0 1 298.386 2.525 20 30 CFEDMN Cc1cc(C(C#N)C(=O)CC[C@H]2CCCCO2)nc(C)n1 ZINC000732495134 574158981 /nfs/dbraw/zinc/15/89/81/574158981.db2.gz RDTWRTKXQMXXAB-ZIAGYGMSSA-N 0 1 287.363 2.619 20 30 CFEDMN Cc1cc(=O)nc(NN=C[C@@H]2C[C@H]2c2ccccc2)[nH]1 ZINC000755463421 574163453 /nfs/dbraw/zinc/16/34/53/574163453.db2.gz IOSHDFNBSVPOAW-STQMWFEESA-N 0 1 268.320 2.692 20 30 CFEDMN C(=N[N-]c1cccc[nH+]1)c1cnc([C@@H]2CCCO2)s1 ZINC000755520297 574167216 /nfs/dbraw/zinc/16/72/16/574167216.db2.gz VYQQYBVWVSOGSG-NSHDSACASA-N 0 1 274.349 2.836 20 30 CFEDMN Oc1ccc(Cl)cc1/C=N/CCN1CCSCC1 ZINC000732714063 574167291 /nfs/dbraw/zinc/16/72/91/574167291.db2.gz QSYXSUTZNJAJRP-XNTDXEJSSA-N 0 1 284.812 2.513 20 30 CFEDMN Cn1c2ccccc2nc1NN=Cc1cnc2ccccn12 ZINC000755647700 574175001 /nfs/dbraw/zinc/17/50/01/574175001.db2.gz CMMOCGJBTZBFMB-UHFFFAOYSA-N 0 1 290.330 2.667 20 30 CFEDMN CCc1nc(CN=Nc2cc(C)nc(C)n2)cs1 ZINC000755649880 574175342 /nfs/dbraw/zinc/17/53/42/574175342.db2.gz ZQEJDEDWEKDYSU-UHFFFAOYSA-N 0 1 261.354 2.558 20 30 CFEDMN Fc1ccc(C=NNCCN2CCCCC2)cc1Cl ZINC000755657117 574175565 /nfs/dbraw/zinc/17/55/65/574175565.db2.gz MDHCLPSIJHFYKU-UHFFFAOYSA-N 0 1 283.778 2.889 20 30 CFEDMN CCn1nc(C)c(CN=Nc2ccc(C)cn2)c1C ZINC000755689064 574177853 /nfs/dbraw/zinc/17/78/53/574177853.db2.gz LDAKBYBQTBNMOW-UHFFFAOYSA-N 0 1 257.341 2.669 20 30 CFEDMN Cc1cccc(-c2n[nH]cc2C=NNc2cc(C)ncn2)c1 ZINC000755726790 574181457 /nfs/dbraw/zinc/18/14/57/574181457.db2.gz HMQNRZIMWRAIRC-UHFFFAOYSA-N 0 1 292.346 2.930 20 30 CFEDMN Cc1nc(Cl)cc(NN=Cc2cccc(F)c2O)n1 ZINC000755743119 574183661 /nfs/dbraw/zinc/18/36/61/574183661.db2.gz JVDVDTAYMPEQHJ-UHFFFAOYSA-N 0 1 280.690 2.729 20 30 CFEDMN CCc1nn(C)c(CC)c1CN=Nc1cc(C)ccn1 ZINC000755769426 574186355 /nfs/dbraw/zinc/18/63/55/574186355.db2.gz DVFIEWRJXRYYKH-UHFFFAOYSA-N 0 1 271.368 2.694 20 30 CFEDMN CC[C@H](OC)C(=O)C(C#N)c1nc(C(C)C)cs1 ZINC000747199127 574186511 /nfs/dbraw/zinc/18/65/11/574186511.db2.gz PJFJXOMUGCUETG-ONGXEEELSA-N 0 1 266.366 2.868 20 30 CFEDMN C[C@@H]1CN(C2CC2)CC1N=Nc1ncccc1Cl ZINC000755889623 574194438 /nfs/dbraw/zinc/19/44/38/574194438.db2.gz GVZLTEPHLPLLAI-SECBINFHSA-N 0 1 264.760 2.617 20 30 CFEDMN Cc1ccnc(NN=Cc2ccc3c(c2)OCCO3)c1 ZINC000755901301 574195290 /nfs/dbraw/zinc/19/52/90/574195290.db2.gz DKCSLOQPGWSGRL-UHFFFAOYSA-N 0 1 269.304 2.607 20 30 CFEDMN Cc1cc[nH+]c([N-]N=Cc2ccccc2[N+](=O)[O-])c1 ZINC000755906615 574196525 /nfs/dbraw/zinc/19/65/25/574196525.db2.gz NZGYSXFTPLFILB-UHFFFAOYSA-N 0 1 256.265 2.744 20 30 CFEDMN COc1c(O)cccc1C=NNc1cc(C)ccn1 ZINC000755907178 574196601 /nfs/dbraw/zinc/19/66/01/574196601.db2.gz WLRHVXNRPAGKFL-UHFFFAOYSA-N 0 1 257.293 2.550 20 30 CFEDMN CCCCCCNC(=O)C(C#N)C(=O)[C@H]1CC12CCCC2 ZINC000747477983 574197547 /nfs/dbraw/zinc/19/75/47/574197547.db2.gz DDJOYFJPGVOBOI-ZIAGYGMSSA-N 0 1 290.407 2.972 20 30 CFEDMN N#Cc1ccc([C@@H]([NH2+]Cc2cccs2)C(=O)[O-])cc1 ZINC000739105585 574198894 /nfs/dbraw/zinc/19/88/94/574198894.db2.gz ICRPIWFVHVINLU-CYBMUJFWSA-N 0 1 272.329 2.535 20 30 CFEDMN CCc1ccc(C=NN=c2cc[nH]c(N(C)C)n2)cc1 ZINC000739413201 574212402 /nfs/dbraw/zinc/21/24/02/574212402.db2.gz JLMKJIFHFLUDJC-UHFFFAOYSA-N 0 1 269.352 2.551 20 30 CFEDMN CC(N=Nc1ccnc(N(C)C)n1)c1ccc(F)cc1 ZINC000739413977 574212743 /nfs/dbraw/zinc/21/27/43/574212743.db2.gz RVIGPDDLRKNNMD-UHFFFAOYSA-N 0 1 273.315 2.518 20 30 CFEDMN CC(C)CN(Cc1ccc(C#N)cc1)CN1CCCC1=O ZINC000733294400 574218345 /nfs/dbraw/zinc/21/83/45/574218345.db2.gz DEQDLFKDPAHPEN-UHFFFAOYSA-N 0 1 285.391 2.596 20 30 CFEDMN C=CCOc1ccc(CNC[C@@H](OC)C(F)(F)F)cc1 ZINC000733329812 574222356 /nfs/dbraw/zinc/22/23/56/574222356.db2.gz ZOMXGMHNMZVRSW-CYBMUJFWSA-N 0 1 289.297 2.918 20 30 CFEDMN CC/C=C(/C)C(=O)OCC(=O)[C@@H](C#N)c1nc(C)cs1 ZINC000729701956 574229702 /nfs/dbraw/zinc/22/97/02/574229702.db2.gz PIOYTXTWDUXGDT-YOOZJCNJSA-N 0 1 292.360 2.527 20 30 CFEDMN CC/C=C(/C)C(=O)OCC(=O)C(C#N)c1nc(C)cs1 ZINC000729701956 574229706 /nfs/dbraw/zinc/22/97/06/574229706.db2.gz PIOYTXTWDUXGDT-YOOZJCNJSA-N 0 1 292.360 2.527 20 30 CFEDMN CC(=NNc1ccc(C)nn1)c1cccc([N+](=O)[O-])c1 ZINC000729935674 574238399 /nfs/dbraw/zinc/23/83/99/574238399.db2.gz JMYRHEXECMNWFO-UHFFFAOYSA-N 0 1 271.280 2.529 20 30 CFEDMN Cc1ccc(NN=C2CCOc3c(F)cccc32)nn1 ZINC000729937930 574239076 /nfs/dbraw/zinc/23/90/76/574239076.db2.gz MCPZIJZJKDXVGH-UHFFFAOYSA-N 0 1 272.283 2.523 20 30 CFEDMN C=CCCCC(=O)OCC(=O)[C@H](C#N)c1nc(C)cs1 ZINC000748241228 574242691 /nfs/dbraw/zinc/24/26/91/574242691.db2.gz ZXMMINTXCWDSNZ-NSHDSACASA-N 0 1 292.360 2.527 20 30 CFEDMN C=CCCCC(=O)OCC(=O)C(C#N)c1nc(C)cs1 ZINC000748241228 574242694 /nfs/dbraw/zinc/24/26/94/574242694.db2.gz ZXMMINTXCWDSNZ-NSHDSACASA-N 0 1 292.360 2.527 20 30 CFEDMN C=CCNC(=O)C(C#N)C(=O)[C@@H]1CC[C@H]2CCCC[C@H]2C1 ZINC000756515573 574242774 /nfs/dbraw/zinc/24/27/74/574242774.db2.gz MAAAAYFWROGVPR-LXTVHRRPSA-N 0 1 288.391 2.604 20 30 CFEDMN C#CCN1CCC[C@H]1COC(=O)c1ccc(C)c(C)c1 ZINC000756543308 574244823 /nfs/dbraw/zinc/24/48/23/574244823.db2.gz LUOOWJSMBBHHOK-INIZCTEOSA-N 0 1 271.360 2.558 20 30 CFEDMN C#CCN1CCC[C@H]1COC(=O)C1(CC)CCCC1 ZINC000756552892 574246265 /nfs/dbraw/zinc/24/62/65/574246265.db2.gz LZASZDYBIGPYAN-AWEZNQCLSA-N 0 1 263.381 2.598 20 30 CFEDMN C#CCN1CCC[C@@H]1COC(=O)[C@H](C)c1ccccc1F ZINC000756550158 574246493 /nfs/dbraw/zinc/24/64/93/574246493.db2.gz CJLPLGWTYPCVDP-ZIAGYGMSSA-N 0 1 289.350 2.570 20 30 CFEDMN C=CCCCC(=O)Nc1cnn(-c2ccncc2)c1 ZINC000748307379 574246514 /nfs/dbraw/zinc/24/65/14/574246514.db2.gz MMVBEXXJFUWXSH-UHFFFAOYSA-N 0 1 256.309 2.562 20 30 CFEDMN C#CCN1CCC[C@@H]1COC(=O)c1ccccc1SC ZINC000756549018 574246572 /nfs/dbraw/zinc/24/65/72/574246572.db2.gz UEJPXTIODIJRSH-CYBMUJFWSA-N 0 1 289.400 2.663 20 30 CFEDMN N#Cc1ccccc1C[N@@H+](C1CC1)C1CCN(C(=O)[O-])CC1 ZINC000740324081 574247064 /nfs/dbraw/zinc/24/70/64/574247064.db2.gz TYJVMSIPXBWVQT-UHFFFAOYSA-N 0 1 299.374 2.665 20 30 CFEDMN CC(F)(F)CCC(=O)Nc1cc(C#N)ccc1O ZINC000748411196 574251035 /nfs/dbraw/zinc/25/10/35/574251035.db2.gz LRIBEPHXEWVOEC-UHFFFAOYSA-N 0 1 254.236 2.638 20 30 CFEDMN CCC(C)(C)CC(=O)C(C#N)C(=O)NCc1ccccc1 ZINC000745947738 574254565 /nfs/dbraw/zinc/25/45/65/574254565.db2.gz LFDNZINMJZWBGU-CQSZACIVSA-N 0 1 286.375 2.838 20 30 CFEDMN C=CC[C@@H](CO)C[NH2+][C@H](C)c1cc(Cl)ccc1[O-] ZINC000756788913 574263398 /nfs/dbraw/zinc/26/33/98/574263398.db2.gz YQZCBIUFOWCYNJ-GHMZBOCLSA-N 0 1 269.772 2.881 20 30 CFEDMN COC(=O)c1ccc(N=NC(C)c2ccncc2)c(OC)c1 ZINC000756897512 574271566 /nfs/dbraw/zinc/27/15/66/574271566.db2.gz BMZUVOIMFBNPMB-UHFFFAOYSA-N 0 1 299.330 2.713 20 30 CFEDMN CCCCCCCCN1CCN(C(=O)[C@@H]2CCCO2)CC1 ZINC000740874065 574272447 /nfs/dbraw/zinc/27/24/47/574272447.db2.gz XGZBWHORUWXASW-INIZCTEOSA-N 0 1 296.455 2.670 20 30 CFEDMN CC(C)CCCCCC(=O)C(C#N)C(=O)NC1CC1 ZINC000749025154 574277105 /nfs/dbraw/zinc/27/71/05/574277105.db2.gz AYTIBYGRLMGSHU-CYBMUJFWSA-N 0 1 264.369 2.580 20 30 CFEDMN CCc1cc(CNc2ccc(Cl)c(C#N)n2)n[nH]1 ZINC000749281628 574287996 /nfs/dbraw/zinc/28/79/96/574287996.db2.gz JEPPFNQWUYJCKP-UHFFFAOYSA-N 0 1 261.716 2.504 20 30 CFEDMN Cc1nc(Cl)cc(N=NCc2cccc([N+](=O)[O-])c2)n1 ZINC000741767481 574301734 /nfs/dbraw/zinc/30/17/34/574301734.db2.gz WSAQHIVMYFPOHO-UHFFFAOYSA-N 0 1 291.698 2.793 20 30 CFEDMN C#CCOc1ccc(CN[C@H](CO)c2cccc(F)c2)cc1 ZINC000734847351 574304054 /nfs/dbraw/zinc/30/40/54/574304054.db2.gz KHNMRDMWHOOITL-GOSISDBHSA-N 0 1 299.345 2.661 20 30 CFEDMN Cc1ncc2c(n1)CCC[C@H]2NCc1ccc(C#N)cc1 ZINC000734852564 574304615 /nfs/dbraw/zinc/30/46/15/574304615.db2.gz WIKVOINBBKLLKD-MRXNPFEDSA-N 0 1 278.359 2.824 20 30 CFEDMN Cc1cc2cc(CN=Nc3nccn(C)c3=O)oc2cc1C ZINC000749814289 574310665 /nfs/dbraw/zinc/31/06/65/574310665.db2.gz NECSPWBHOGOHBH-UHFFFAOYSA-N 0 1 296.330 2.589 20 30 CFEDMN Cc1ccc(N(CCC#N)C(=O)CN2CC[C@H](C)C2)cc1 ZINC000725803064 574311363 /nfs/dbraw/zinc/31/13/63/574311363.db2.gz DDWPIPAPPNPSBZ-HNNXBMFYSA-N 0 1 285.391 2.584 20 30 CFEDMN Cc1cc(N=NCc2occc2Br)ncn1 ZINC000735229681 574316027 /nfs/dbraw/zinc/31/60/27/574316027.db2.gz NNMXLFWWBXDJBT-UHFFFAOYSA-N 0 1 281.113 2.587 20 30 CFEDMN C=CCCC[N@@H+](Cc1ccc(-c2nn[nH]n2)cc1)C1CC1 ZINC000735412712 574322556 /nfs/dbraw/zinc/32/25/56/574322556.db2.gz JPRJONAWXFBRQU-UHFFFAOYSA-N 0 1 283.379 2.797 20 30 CFEDMN N#Cc1ccc(CNC[C@@H](O)c2ccccc2Cl)o1 ZINC000742372151 574324989 /nfs/dbraw/zinc/32/49/89/574324989.db2.gz IKKRRFWIZZLCBJ-CQSZACIVSA-N 0 1 276.723 2.628 20 30 CFEDMN O=c1c2ccccc2[nH]c(=S)n1N=Cc1ccc(F)cc1 ZINC000725858034 574333684 /nfs/dbraw/zinc/33/36/84/574333684.db2.gz FDGVKGVPFVZNEL-UHFFFAOYSA-N 0 1 299.330 2.707 20 30 CFEDMN COCCCCC(=O)[C@@H](C#N)c1nc2cccc(C)c2[nH]1 ZINC000735792945 574335783 /nfs/dbraw/zinc/33/57/83/574335783.db2.gz PDVGGOUUEOTYBJ-GFCCVEGCSA-N 0 1 285.347 2.864 20 30 CFEDMN CS[C@@H](C)C(=O)[C@@H](C#N)c1nc2cccc(C)c2[nH]1 ZINC000735792077 574336145 /nfs/dbraw/zinc/33/61/45/574336145.db2.gz HFBMYPZQMPBZIF-VHSXEESVSA-N 0 1 273.361 2.799 20 30 CFEDMN Fc1cccc(Cl)c1C=NNc1cccnn1 ZINC000735976633 574346203 /nfs/dbraw/zinc/34/62/03/574346203.db2.gz KSEDSVDHTDWBDW-UHFFFAOYSA-N 0 1 250.664 2.715 20 30 CFEDMN C=CCCC[N@@H+](CC(=O)[O-])Cc1cc(Cl)ccc1O ZINC000736102800 574350446 /nfs/dbraw/zinc/35/04/46/574350446.db2.gz ZZLOAUSGTMBNOZ-UHFFFAOYSA-N 0 1 283.755 2.898 20 30 CFEDMN N#CC(C(=O)CCC1CCC1)C(=O)NC1CCCCC1 ZINC000750684815 574350937 /nfs/dbraw/zinc/35/09/37/574350937.db2.gz VGMTVAKZWPJTDP-CQSZACIVSA-N 0 1 276.380 2.724 20 30 CFEDMN Cc1cc(C(C#N)C(=O)CCC2CCC2)nc(C)n1 ZINC000750684750 574351112 /nfs/dbraw/zinc/35/11/12/574351112.db2.gz UARQYEDFTNBKLK-ZDUSSCGKSA-N 0 1 257.337 2.850 20 30 CFEDMN Cc1cc(C(C#N)C(=O)CC[C@@H]2CC[C@H](C)O2)nc(C)n1 ZINC000744025600 574375946 /nfs/dbraw/zinc/37/59/46/574375946.db2.gz DYNAFUDDVHOSKM-UBHSHLNASA-N 0 1 287.363 2.617 20 30 CFEDMN CN1CCC(C#N)(NC(=O)C=C2CCC(C)(C)CC2)CC1 ZINC000751916687 574384986 /nfs/dbraw/zinc/38/49/86/574384986.db2.gz NOEBPCNCXZIIOI-UHFFFAOYSA-N 0 1 289.423 2.617 20 30 CFEDMN COC(=O)c1cc(/C=C\C(=O)c2ccc(O)c(F)c2)c[nH]1 ZINC000753145111 574399400 /nfs/dbraw/zinc/39/94/00/574399400.db2.gz VLZPPIFPQGGGQW-RQOWECAXSA-N 0 1 289.262 2.542 20 30 CFEDMN C#CCN(C(=O)c1ccc(CN2CCCCC2)o1)C1CC1 ZINC000935404937 649904922 /nfs/dbraw/zinc/90/49/22/649904922.db2.gz TXZBMJWEBRBCCQ-UHFFFAOYSA-N 0 1 286.375 2.503 20 30 CFEDMN CC(C)C[N@H+](CCC#N)Cc1ccc(C(=O)[O-])s1 ZINC000103918688 601956245 /nfs/dbraw/zinc/95/62/45/601956245.db2.gz QOQSSHPUTZZKHI-UHFFFAOYSA-N 0 1 266.366 2.818 20 30 CFEDMN CC(C)C[N@@H+](CCC#N)Cc1ccc(C(=O)[O-])s1 ZINC000103918688 601956252 /nfs/dbraw/zinc/95/62/52/601956252.db2.gz QOQSSHPUTZZKHI-UHFFFAOYSA-N 0 1 266.366 2.818 20 30 CFEDMN O=C(c1cnc[nH]1)N(O)Cc1cc(Cl)cc(Cl)c1 ZINC000900096386 620637789 /nfs/dbraw/zinc/63/77/89/620637789.db2.gz BSCIWMDPFVLVJS-UHFFFAOYSA-N 0 1 286.118 2.748 20 30 CFEDMN N#Cc1cc(F)ccc1C[N@@H+]1CCCC[C@H]1CC(=O)[O-] ZINC000071263926 599961877 /nfs/dbraw/zinc/96/18/77/599961877.db2.gz LXOCPMQJTIDIQO-AWEZNQCLSA-N 0 1 276.311 2.527 20 30 CFEDMN C[C@@H]1C[N@@H+]([C@@H](C(=O)[O-])c2ccc(C#N)cc2)C[C@H](C)S1 ZINC000828410787 601023594 /nfs/dbraw/zinc/02/35/94/601023594.db2.gz CSMHAUSKGWFEKE-UHIISALHSA-N 0 1 290.388 2.510 20 30 CFEDMN Cc1ccsc1C[NH2+][C@H](C(=O)[O-])c1cccc(C#N)c1 ZINC000832984548 601303117 /nfs/dbraw/zinc/30/31/17/601303117.db2.gz VSZLATHHYABRBZ-AWEZNQCLSA-N 0 1 286.356 2.844 20 30 CFEDMN C/C(=C\C[N@@H+]1CCC[C@@H]1[C@H](C#N)c1ccccc1)C(=O)[O-] ZINC000825741368 601429400 /nfs/dbraw/zinc/42/94/00/601429400.db2.gz MHCVLNLOXQHWPX-LXUUZPSESA-N 0 1 284.359 2.789 20 30 CFEDMN C/C(=C\C[N@H+]1CCC[C@@H]1[C@H](C#N)c1ccccc1)C(=O)[O-] ZINC000825741368 601429401 /nfs/dbraw/zinc/42/94/01/601429401.db2.gz MHCVLNLOXQHWPX-LXUUZPSESA-N 0 1 284.359 2.789 20 30 CFEDMN CC[N@@H+](Cc1ccc(C(=O)[O-])c(F)c1)C[C@@H](C)C#N ZINC000233467004 601620614 /nfs/dbraw/zinc/62/06/14/601620614.db2.gz NWTWTUJRDKALFE-JTQLQIEISA-N 0 1 264.300 2.505 20 30 CFEDMN CC[N@H+](Cc1ccc(C(=O)[O-])c(F)c1)C[C@@H](C)C#N ZINC000233467004 601620616 /nfs/dbraw/zinc/62/06/16/601620616.db2.gz NWTWTUJRDKALFE-JTQLQIEISA-N 0 1 264.300 2.505 20 30 CFEDMN C#CC[N@H+](Cc1cc(C(=O)[O-])oc1CC)C1CCCC1 ZINC000825614271 601664246 /nfs/dbraw/zinc/66/42/46/601664246.db2.gz KQLBXFYAFVMYBJ-UHFFFAOYSA-N 0 1 275.348 2.918 20 30 CFEDMN CC(C)C[N@@H+](CCC#N)Cc1ccccc1C(=O)[O-] ZINC000043416889 604516883 /nfs/dbraw/zinc/51/68/83/604516883.db2.gz IUKNATNJWTXMJV-UHFFFAOYSA-N 0 1 260.337 2.756 20 30 CFEDMN C[C@@H]1C[N@@H+](Cc2cccc(C(=O)[O-])c2C#N)C(C)(C)C1 ZINC000833629170 604610726 /nfs/dbraw/zinc/61/07/26/604610726.db2.gz FWWVXJBJLWNFBF-NSHDSACASA-N 0 1 272.348 2.877 20 30 CFEDMN CC(C)(C#N)c1ccccc1C[N@H+]1CCC[C@H](C(=O)[O-])C1 ZINC000826081055 604672220 /nfs/dbraw/zinc/67/22/20/604672220.db2.gz KSOJAIUYFUFIGQ-AWEZNQCLSA-N 0 1 286.375 2.784 20 30 CFEDMN CC(C)[N@H+](CC#Cc1cccc(Cl)c1)CCC(=O)[O-] ZINC000833497280 604878696 /nfs/dbraw/zinc/87/86/96/604878696.db2.gz ACCDHEKICFUABA-UHFFFAOYSA-N 0 1 279.767 2.877 20 30 CFEDMN C=C(Br)C[N@H+]1[C@H](C(=O)[O-])C[C@@H]2CCCC[C@@H]21 ZINC000227222057 604963208 /nfs/dbraw/zinc/96/32/08/604963208.db2.gz HDJHFWWLSOYLBJ-DCAQKATOSA-N 0 1 288.185 2.613 20 30 CFEDMN C=C(Br)C[N@H+]1[C@H](C(=O)[O-])C[C@H]2CCCC[C@@H]21 ZINC000227222077 604963677 /nfs/dbraw/zinc/96/36/77/604963677.db2.gz HDJHFWWLSOYLBJ-VWYCJHECSA-N 0 1 288.185 2.613 20 30 CFEDMN C[C@@H](C[N@@H+](CC#Cc1ccccc1Cl)C1CC1)C(=O)[O-] ZINC000833516562 604972659 /nfs/dbraw/zinc/97/26/59/604972659.db2.gz PJIVXKRLEIGYHM-LBPRGKRZSA-N 0 1 291.778 2.877 20 30 CFEDMN C#CCCN1CCC[C@@H](NC(=O)c2ccsc2Cl)C1 ZINC001008762637 651153766 /nfs/dbraw/zinc/15/37/66/651153766.db2.gz VMWDSGWTMISNHX-LLVKDONJSA-N 0 1 296.823 2.619 20 30 CFEDMN C=C(C)C[N@H+](CC)[C@@H](C(=O)[O-])c1ccc(C#N)cc1 ZINC000833369446 605042077 /nfs/dbraw/zinc/04/20/77/605042077.db2.gz YRHWDDHBZGXUED-CQSZACIVSA-N 0 1 258.321 2.582 20 30 CFEDMN C#CC[N@@H+](CC)[C@H](C(=O)[O-])c1cccc(Br)c1 ZINC000833364064 605205100 /nfs/dbraw/zinc/20/51/00/605205100.db2.gz DJWBSAXTYBRDRA-LBPRGKRZSA-N 0 1 296.164 2.530 20 30 CFEDMN C#CC[N@H+](CC)[C@H](C(=O)[O-])c1cccc(Br)c1 ZINC000833364064 605205104 /nfs/dbraw/zinc/20/51/04/605205104.db2.gz DJWBSAXTYBRDRA-LBPRGKRZSA-N 0 1 296.164 2.530 20 30 CFEDMN C[C@@H]1CC[N@@H+](Cc2cccc(C(=O)[O-])c2C#N)C[C@H]1C ZINC000833615923 605212850 /nfs/dbraw/zinc/21/28/50/605212850.db2.gz NALOJRSRGPCDIH-VXGBXAGGSA-N 0 1 272.348 2.734 20 30 CFEDMN C[C@@H]1CC[N@@H+](Cc2cccc(C(=O)[O-])c2C#N)C[C@@H]1C ZINC000833615920 605213419 /nfs/dbraw/zinc/21/34/19/605213419.db2.gz NALOJRSRGPCDIH-NEPJUHHUSA-N 0 1 272.348 2.734 20 30 CFEDMN C[C@@]1(C#N)CCC[N@@H+]([C@@H](C(=O)[O-])c2ccc(F)cc2)C1 ZINC000833551118 605419586 /nfs/dbraw/zinc/41/95/86/605419586.db2.gz GURLRNFKXMQGMX-HIFRSBDPSA-N 0 1 276.311 2.577 20 30 CFEDMN C[C@@]1(C#N)CCC[N@H+]([C@@H](C(=O)[O-])c2ccc(F)cc2)C1 ZINC000833551118 605419589 /nfs/dbraw/zinc/41/95/89/605419589.db2.gz GURLRNFKXMQGMX-HIFRSBDPSA-N 0 1 276.311 2.577 20 30 CFEDMN C=CCN1CCC[C@H](NC(=O)[C@@H]2CCCC(C)(C)C2)C1 ZINC001009670749 651163193 /nfs/dbraw/zinc/16/31/93/651163193.db2.gz ZTAKMJJNCPJBDE-CABCVRRESA-N 0 1 278.440 2.969 20 30 CFEDMN C[N@@H+](CCCC(C)(C)C#N)C1C[C@H]2CC[C@@H](C1)N2C(=O)[O-] ZINC000833872233 605876423 /nfs/dbraw/zinc/87/64/23/605876423.db2.gz IHNFGXHFMHSYDM-PBWFPOADSA-N 0 1 293.411 2.922 20 30 CFEDMN N#Cc1ccccc1C[N@@H+]1CCC2(C1)CCN(C(=O)[O-])CC2 ZINC000833976138 605895678 /nfs/dbraw/zinc/89/56/78/605895678.db2.gz ISWANYCKEIZPFV-UHFFFAOYSA-N 0 1 299.374 2.524 20 30 CFEDMN O=C(C=Cc1ccc(-c2nn[nH]n2)s1)c1ccccc1O ZINC000822929354 606857398 /nfs/dbraw/zinc/85/73/98/606857398.db2.gz SQXWDFHWXDTVIH-FNORWQNLSA-N 0 1 298.327 2.530 20 30 CFEDMN C#CCCCCCCn1cc([C@H](N)c2ccccc2)nn1 ZINC000900641468 620695274 /nfs/dbraw/zinc/69/52/74/620695274.db2.gz VIGXEEYOBDJHOH-QGZVFWFLSA-N 0 1 282.391 2.910 20 30 CFEDMN C#CCN[C@@H]1c2ccccc2C[C@H]1NC(=O)CC1CCCC1 ZINC000960242541 612971254 /nfs/dbraw/zinc/97/12/54/612971254.db2.gz RLNICEVJCIFPRH-IEBWSBKVSA-N 0 1 296.414 2.572 20 30 CFEDMN C#CCCN1CCCN(C(=O)C(CC)(CC)CC)CC1 ZINC000982944319 613001882 /nfs/dbraw/zinc/00/18/82/613001882.db2.gz HWXBCIOWSMTQEJ-UHFFFAOYSA-N 0 1 278.440 2.760 20 30 CFEDMN C#CCCN1CCCN(C(=O)c2ccc(CCC)cc2)CC1 ZINC000981845997 613005798 /nfs/dbraw/zinc/00/57/98/613005798.db2.gz FFZBWNBXJSIBCM-UHFFFAOYSA-N 0 1 298.430 2.810 20 30 CFEDMN C#CCCN1CC[C@@H](C)[C@@H](NC(=O)c2ccc(C)s2)C1 ZINC000964709050 613014289 /nfs/dbraw/zinc/01/42/89/613014289.db2.gz GMVZREALXJGONK-OCCSQVGLSA-N 0 1 290.432 2.520 20 30 CFEDMN C#CCN(C)[C@@H]1CCN(C(=O)CC2(C)CCCCC2)C1 ZINC000971916315 613080307 /nfs/dbraw/zinc/08/03/07/613080307.db2.gz FQOIRFALIAEKLS-OAHLLOKOSA-N 0 1 276.424 2.513 20 30 CFEDMN C#CCN(C)[C@H]1CCN(C(=O)c2ccc([C@@H](C)CC)cc2)C1 ZINC000980493996 613094924 /nfs/dbraw/zinc/09/49/24/613094924.db2.gz KTFWZPOPUNVVFH-YJBOKZPZSA-N 0 1 298.430 2.980 20 30 CFEDMN C#CCN(C)[C@H]1CCN(C(=O)c2ccc3ccccc3c2)C1 ZINC000972791803 613095467 /nfs/dbraw/zinc/09/54/67/613095467.db2.gz UTMVYBQUZCANCQ-SFHVURJKSA-N 0 1 292.382 2.619 20 30 CFEDMN C#CCN1CCCC2(CN(C(=O)CC3(C)CCCC3)C2)C1 ZINC000981748431 613140659 /nfs/dbraw/zinc/14/06/59/613140659.db2.gz AKOLBUCBGZSSAV-UHFFFAOYSA-N 0 1 288.435 2.514 20 30 CFEDMN C#CCN1CCCCC[C@@H]1CNC(=O)c1cc(C)cs1 ZINC000968850270 613146621 /nfs/dbraw/zinc/14/66/21/613146621.db2.gz UGQJGDBTBBIPPT-CQSZACIVSA-N 0 1 290.432 2.664 20 30 CFEDMN C#CCN1CCCCC[C@H]1CNC(=O)[C@@H]1CC12CCCC2 ZINC000969103140 613148550 /nfs/dbraw/zinc/14/85/50/613148550.db2.gz BMQZOVUIEMLLMA-HOTGVXAUSA-N 0 1 288.435 2.561 20 30 CFEDMN C#CCN1CCCCC[C@H]1CNC(=O)[C@H]1CCCC1(C)C ZINC000968990912 613149007 /nfs/dbraw/zinc/14/90/07/613149007.db2.gz QYPWNOMWRKBADS-JKSUJKDBSA-N 0 1 290.451 2.807 20 30 CFEDMN C#CCN1CC[C@@H](NC(=O)c2cc(C)cc(C)c2)C(C)(C)C1 ZINC000941184116 613232155 /nfs/dbraw/zinc/23/21/55/613232155.db2.gz KACDBANXRRRWBS-QGZVFWFLSA-N 0 1 298.430 2.767 20 30 CFEDMN C#CCN1CC[C@@H](NC(=O)c2ccc(C=C)cc2)C(C)(C)C1 ZINC000941052600 613234965 /nfs/dbraw/zinc/23/49/65/613234965.db2.gz SJZFFSUDBCCIIM-QGZVFWFLSA-N 0 1 296.414 2.793 20 30 CFEDMN C#CCN1CC[C@@H](NC(=O)c2ccc(CC)s2)C[C@@H]1C ZINC000947516788 613235910 /nfs/dbraw/zinc/23/59/10/613235910.db2.gz XJQMARDTMZUOPO-QWHCGFSZSA-N 0 1 290.432 2.526 20 30 CFEDMN C#CCN1CC[C@@H](NC(=O)c2ccc(Cl)s2)C[C@@H]1C ZINC000947999332 613235915 /nfs/dbraw/zinc/23/59/15/613235915.db2.gz XSOBTZGYTDZXAE-WDEREUQCSA-N 0 1 296.823 2.617 20 30 CFEDMN C=C(C)CCN1CC(N(CC)C(=O)[C@H]2CC[C@@H](C)C2)C1 ZINC000952393620 613245594 /nfs/dbraw/zinc/24/55/94/613245594.db2.gz CYYHQJHMDFRKBQ-CABCVRRESA-N 0 1 278.440 2.922 20 30 CFEDMN C=C(C)CCN1CC(N(CC)C(=O)c2ccc(Cl)[nH]2)C1 ZINC000951704416 613246257 /nfs/dbraw/zinc/24/62/57/613246257.db2.gz KSHMEWGNQBXXHA-UHFFFAOYSA-N 0 1 295.814 2.781 20 30 CFEDMN C=C(C)CCN1CC(N(CC)C(=O)[C@H]2Cc3ccccc32)C1 ZINC000951589221 613246345 /nfs/dbraw/zinc/24/63/45/613246345.db2.gz VYKPEOCAIPOUPQ-SFHVURJKSA-N 0 1 298.430 2.825 20 30 CFEDMN C=C(C)CCN1CCN(C(=O)C2Cc3ccccc3C2)CC1 ZINC000950677836 613257117 /nfs/dbraw/zinc/25/71/17/613257117.db2.gz URTYJCAMOBGWME-UHFFFAOYSA-N 0 1 298.430 2.512 20 30 CFEDMN C=C(C)CCN1CCN(C(=O)C2CC3(CCC3)C2)CC1 ZINC000949753727 613257154 /nfs/dbraw/zinc/25/71/54/613257154.db2.gz QIIZHCIFYJUSFI-UHFFFAOYSA-N 0 1 276.424 2.677 20 30 CFEDMN C=C(C)CCN1CCN(C(=O)C[C@@H]2CC[C@H](C)C2)CC1 ZINC000949737302 613257664 /nfs/dbraw/zinc/25/76/64/613257664.db2.gz BVORRZZFCPZTFO-JKSUJKDBSA-N 0 1 278.440 2.923 20 30 CFEDMN C=C(C)CCN1CCN(C(=O)C[C@H](C)n2cccc2)CC1 ZINC000957384477 613258458 /nfs/dbraw/zinc/25/84/58/613258458.db2.gz SNMHODBNNKTFJM-INIZCTEOSA-N 0 1 289.423 2.550 20 30 CFEDMN C#CCN1CC[C@H](NC(=O)C[C@@H]2C=CCCC2)C(C)(C)C1 ZINC000940837733 613259588 /nfs/dbraw/zinc/25/95/88/613259588.db2.gz ZGSOWUVAOVPGFC-CVEARBPZSA-N 0 1 288.435 2.583 20 30 CFEDMN C=C(C)CCN1CCN(C(=O)c2ccnc(C3CC3)c2)CC1 ZINC000949124646 613261926 /nfs/dbraw/zinc/26/19/26/613261926.db2.gz MBBJDPVQYAYNNI-UHFFFAOYSA-N 0 1 299.418 2.683 20 30 CFEDMN C#CCN1CC[C@H](NC(=O)[C@@H]2CCCC2(C)C)C(C)(C)C1 ZINC000940962231 613262674 /nfs/dbraw/zinc/26/26/74/613262674.db2.gz WGLKPWVORBYEFI-GJZGRUSLSA-N 0 1 290.451 2.663 20 30 CFEDMN C#CCN1CC[C@H](NC(=O)[C@H](C)C2CCCC2)C(C)(C)C1 ZINC000941158666 613263218 /nfs/dbraw/zinc/26/32/18/613263218.db2.gz SBZCTHXBHCONLB-ZBFHGGJFSA-N 0 1 290.451 2.663 20 30 CFEDMN C#CCN1C[C@H](NC(=O)[C@H]2CCC(C)=C(C)C2)C(C)(C)C1 ZINC000974641970 613298903 /nfs/dbraw/zinc/29/89/03/613298903.db2.gz XZEYMDJQDMGGCF-HOTGVXAUSA-N 0 1 288.435 2.583 20 30 CFEDMN C=C(C)CN1CCCN(C(=O)C(C)(C)C2CC2)CC1 ZINC000981796489 613307851 /nfs/dbraw/zinc/30/78/51/613307851.db2.gz NKEQOZBJYADTGP-UHFFFAOYSA-N 0 1 264.413 2.533 20 30 CFEDMN C=C(C)CN1CCCN(C(=O)[C@@H]2C[C@]2(C)CC)CC1 ZINC000983411780 613310348 /nfs/dbraw/zinc/31/03/48/613310348.db2.gz NGEQQJDPNLZWPC-HOCLYGCPSA-N 0 1 264.413 2.533 20 30 CFEDMN C=C(C)CN1CCCN(C(=O)c2cc(F)ccc2C)CC1 ZINC000981710568 613311926 /nfs/dbraw/zinc/31/19/26/613311926.db2.gz CESKSCXFDKMXLX-UHFFFAOYSA-N 0 1 290.382 2.858 20 30 CFEDMN C=C(C)CN1CCCN(C(=O)c2ccoc2CC)CC1 ZINC000981074589 613312408 /nfs/dbraw/zinc/31/24/08/613312408.db2.gz XBBSRTNQUPAEOI-UHFFFAOYSA-N 0 1 276.380 2.566 20 30 CFEDMN C=C(C)CN1CC[C@@H](C)[C@@H](NC(=O)c2ccsc2)C1 ZINC000964934814 613324146 /nfs/dbraw/zinc/32/41/46/613324146.db2.gz LALMSYCAXJXHJF-OCCSQVGLSA-N 0 1 278.421 2.764 20 30 CFEDMN C=C(C)CN1CC[C@@H](C)[C@@H](NC(=O)c2ccc(F)s2)C1 ZINC000968695378 613324256 /nfs/dbraw/zinc/32/42/56/613324256.db2.gz OEMULHISSYSULF-NEPJUHHUSA-N 0 1 296.411 2.904 20 30 CFEDMN C=C(C)CN1CC[C@H](C)[C@@H](NC(=O)c2ccoc2C)C1 ZINC000964936117 613332915 /nfs/dbraw/zinc/33/29/15/613332915.db2.gz NEXIZSNXBJNNSM-WFASDCNBSA-N 0 1 276.380 2.604 20 30 CFEDMN C=C(Cl)CN1CCC[C@@H](N(C)C(=O)C(C)(F)F)CC1 ZINC000948130723 613374139 /nfs/dbraw/zinc/37/41/39/613374139.db2.gz BWLILNGSJBVAPY-LLVKDONJSA-N 0 1 294.773 2.707 20 30 CFEDMN C=C(Cl)CN[C@@H]1CCN(C(=O)[C@@]23C[C@@H]2CCCC3)C1 ZINC000969877384 613385368 /nfs/dbraw/zinc/38/53/68/613385368.db2.gz QPXAKIQQCWCOTF-GUTXKFCHSA-N 0 1 282.815 2.510 20 30 CFEDMN C=C(Cl)CN[C@H]1CN(C(=O)C(C2CC2)C2CC2)C[C@H]1C ZINC000939497765 613386936 /nfs/dbraw/zinc/38/69/36/613386936.db2.gz AWTDDJVENHSHKX-YGRLFVJLSA-N 0 1 296.842 2.612 20 30 CFEDMN C=C1CC(C)(C(=O)N2CCN(CCC(C)C)CC2)C1 ZINC000950373456 613393533 /nfs/dbraw/zinc/39/35/33/613393533.db2.gz ZOWGYQJDATXYQT-UHFFFAOYSA-N 0 1 264.413 2.533 20 30 CFEDMN C=C1CC(C)(C(=O)N[C@@H]2CCN(C/C=C\Cl)C[C@H]2C)C1 ZINC000942608624 613396754 /nfs/dbraw/zinc/39/67/54/613396754.db2.gz XUXFLAAWWZPKAU-GNXSNYGWSA-N 0 1 296.842 2.922 20 30 CFEDMN C=C1CCC(C(=O)NC2[C@H]3CN(C/C=C/Cl)C[C@@H]23)CC1 ZINC000961686834 613407425 /nfs/dbraw/zinc/40/74/25/613407425.db2.gz KUWZMJPJBNSJGB-YBRKDAPXSA-N 0 1 294.826 2.532 20 30 CFEDMN C=CCCN1CCN(C(=O)CCc2ccc(C)s2)CC1 ZINC000957929103 613502769 /nfs/dbraw/zinc/50/27/69/613502769.db2.gz XNDKEDRQQSWNPI-UHFFFAOYSA-N 0 1 292.448 2.709 20 30 CFEDMN C=C[C@](C)(CC)C(=O)N1CC[C@@H](NCC(=C)Cl)C1 ZINC000969830731 613503757 /nfs/dbraw/zinc/50/37/57/613503757.db2.gz SDITXOQTUJBNQA-TZMCWYRMSA-N 0 1 270.804 2.532 20 30 CFEDMN C=CCCN1CCN(C(=O)Cc2c(C)cccc2C)CC1 ZINC000948571519 613504545 /nfs/dbraw/zinc/50/45/45/613504545.db2.gz VQNRJIQPLUBHKS-UHFFFAOYSA-N 0 1 286.419 2.566 20 30 CFEDMN C=CCCN1CCN(C(=O)[C@@H]2C[C@H]2C2CCCC2)CC1 ZINC000956965554 613506710 /nfs/dbraw/zinc/50/67/10/613506710.db2.gz VRNOYJIRJQWODN-JKSUJKDBSA-N 0 1 276.424 2.533 20 30 CFEDMN C=CCCN1CCN(C(=O)[C@H]2CCCCC2(C)C)CC1 ZINC000957840661 613507844 /nfs/dbraw/zinc/50/78/44/613507844.db2.gz WVXAGBXUIBTCPX-OAHLLOKOSA-N 0 1 278.440 2.923 20 30 CFEDMN C=CCCN1CCN(C(=O)[C@H]2CCCC[C@@H]2C2CC2)CC1 ZINC000949464637 613508461 /nfs/dbraw/zinc/50/84/61/613508461.db2.gz AOEUSUNXPLLZNP-SJORKVTESA-N 0 1 290.451 2.923 20 30 CFEDMN C=CCCN1CCN(C(=O)[C@H]2C[C@@H]2c2ccccc2)CC1 ZINC000951380916 613508772 /nfs/dbraw/zinc/50/87/72/613508772.db2.gz IMBFJOFATXJMJS-SJORKVTESA-N 0 1 284.403 2.510 20 30 CFEDMN C=CCCN1CCN(C(=O)c2c[nH]c3ccc(C)cc32)CC1 ZINC000957815121 613509717 /nfs/dbraw/zinc/50/97/17/613509717.db2.gz MGXVPQRDHVCNPT-UHFFFAOYSA-N 0 1 297.402 2.810 20 30 CFEDMN CC#CCN1CC([C@@H](C)NC(=O)[C@@H]2CCCCC2(C)C)C1 ZINC000970948981 613530834 /nfs/dbraw/zinc/53/08/34/613530834.db2.gz UXXJJTVTZCSREA-ZBFHGGJFSA-N 0 1 290.451 2.663 20 30 CFEDMN CC#CCN1CC([C@@H](C)NC(=O)[C@H]2CCCCC2(C)C)C1 ZINC000970948975 613531468 /nfs/dbraw/zinc/53/14/68/613531468.db2.gz UXXJJTVTZCSREA-GDBMZVCRSA-N 0 1 290.451 2.663 20 30 CFEDMN CC#CCN1CC([C@@H](C)NC(=O)c2ccc(C3CC3)cc2)C1 ZINC000970913221 613533027 /nfs/dbraw/zinc/53/30/27/613533027.db2.gz LSTYIIYOUAWYFT-CQSZACIVSA-N 0 1 296.414 2.637 20 30 CFEDMN CC#CCN1CC([C@H](C)NC(=O)[C@H]2CCC=CCCC2)C1 ZINC000969954721 613536823 /nfs/dbraw/zinc/53/68/23/613536823.db2.gz UDMXIHYQJYPUGL-HOTGVXAUSA-N 0 1 288.435 2.583 20 30 CFEDMN CC#CCN1CCCCC[C@H]1CNC(=O)c1cocc1C ZINC000968984426 613546963 /nfs/dbraw/zinc/54/69/63/613546963.db2.gz CFUUVGLZGIOVIB-HNNXBMFYSA-N 0 1 288.391 2.586 20 30 CFEDMN CC#CCN1CC[C@@H](C)[C@H](NC(=O)C2C(C)(C)C2(C)C)C1 ZINC000965863650 613574154 /nfs/dbraw/zinc/57/41/54/613574154.db2.gz RPWBVCVYXMULMA-ZIAGYGMSSA-N 0 1 290.451 2.519 20 30 CFEDMN CC#CCN1CC[C@H](C)[C@@H](NC(=O)C2CCC=CCC2)C1 ZINC000968663914 613590315 /nfs/dbraw/zinc/59/03/15/613590315.db2.gz BZALRKBHVGOLFY-RDJZCZTQSA-N 0 1 288.435 2.583 20 30 CFEDMN CC#CCN1CC[C@H](C)[C@H](NC(=O)CC2=CCCCC2)C1 ZINC000965621939 613592918 /nfs/dbraw/zinc/59/29/18/613592918.db2.gz IEUYHAZULQOGEP-DOTOQJQBSA-N 0 1 288.435 2.727 20 30 CFEDMN CC#CCN1C[C@@H](NC(=O)[C@@H](C)C2CCCC2)C(C)(C)C1 ZINC000977445698 613609315 /nfs/dbraw/zinc/60/93/15/613609315.db2.gz BFFASHKTZUJKGW-GOEBONIOSA-N 0 1 290.451 2.663 20 30 CFEDMN CC#CCN1C[C@H](NC(=O)[C@]2(C)CC=CCC2)C(C)(C)C1 ZINC000974626261 613622052 /nfs/dbraw/zinc/62/20/52/613622052.db2.gz YEOKJGMCDKWZNO-MAUKXSAKSA-N 0 1 288.435 2.583 20 30 CFEDMN C=CCN1CC([C@@H](C)NC(=O)c2cc(C(C)C)oc2C)C1 ZINC000970669327 613663953 /nfs/dbraw/zinc/66/39/53/613663953.db2.gz SUIYKFFPSJQWBE-GFCCVEGCSA-N 0 1 290.407 2.948 20 30 CFEDMN C=CCN1CC([C@@H](C)NC(=O)c2cc(CC)c(CC)o2)C1 ZINC000970746364 613664647 /nfs/dbraw/zinc/66/46/47/613664647.db2.gz LNBNOXCEFWXUMP-GFCCVEGCSA-N 0 1 290.407 2.641 20 30 CFEDMN C=CCN1CC([C@@H](C)NC(=O)c2cc3cc(C)ccc3[nH]2)C1 ZINC000970250170 613664764 /nfs/dbraw/zinc/66/47/64/613664764.db2.gz KIVIKFHMVGUATI-CYBMUJFWSA-N 0 1 297.402 2.712 20 30 CFEDMN C=CCN1CC([C@@H](C)NC(=O)c2ccc(C3CC3)s2)C1 ZINC000970738561 613665597 /nfs/dbraw/zinc/66/55/97/613665597.db2.gz WXXDBUORWYSKAN-LLVKDONJSA-N 0 1 290.432 2.862 20 30 CFEDMN C=CCN1CC([C@H](C)NC(=O)c2c(C)cccc2C)C1 ZINC000970473742 613670066 /nfs/dbraw/zinc/67/00/66/613670066.db2.gz REYMQHMXOYXOLN-AWEZNQCLSA-N 0 1 272.392 2.540 20 30 CFEDMN C=CCN1CC([C@H](C)NC(=O)c2cc(F)ccc2CC)C1 ZINC000970049643 613670993 /nfs/dbraw/zinc/67/09/93/613670993.db2.gz FXNLNIQLPKOQFS-LBPRGKRZSA-N 0 1 290.382 2.624 20 30 CFEDMN C=CCN1CC([C@H](C)NC(=O)c2cc3cc(C)ccc3o2)C1 ZINC000970923990 613671100 /nfs/dbraw/zinc/67/11/00/613671100.db2.gz JCMBTBGRMFLTTF-ZDUSSCGKSA-N 0 1 298.386 2.977 20 30 CFEDMN C=CCN1CC([C@H](C)NC(=O)c2cc[nH]c2C2CCC2)C1 ZINC000970420273 613671116 /nfs/dbraw/zinc/67/11/16/613671116.db2.gz NOALZFYWWKRVTM-LBPRGKRZSA-N 0 1 287.407 2.518 20 30 CFEDMN C=CCN1CC([C@H](C)NC(=O)c2ccc(Cl)cc2F)C1 ZINC000970093780 613671505 /nfs/dbraw/zinc/67/15/05/613671505.db2.gz RMLULKMVERLYTB-JTQLQIEISA-N 0 1 296.773 2.715 20 30 CFEDMN C=CCN1CCCN(C(=O)C[C@H]2CCc3ccccc32)CC1 ZINC000982284864 613689995 /nfs/dbraw/zinc/68/99/95/613689995.db2.gz HKGQRVGFXGUEHA-QGZVFWFLSA-N 0 1 298.430 2.827 20 30 CFEDMN C=CCN1CCCN(C(=O)[C@@H]2CCCC[C@@H]2C)CC1 ZINC000981841367 613691310 /nfs/dbraw/zinc/69/13/10/613691310.db2.gz LGKIGIABQMSBGZ-LSDHHAIUSA-N 0 1 264.413 2.533 20 30 CFEDMN C=CCN1CCCN(C(=O)[C@@H]2CCC[C@H]2CCC)CC1 ZINC000981501277 613691554 /nfs/dbraw/zinc/69/15/54/613691554.db2.gz NSRFHGIWINPHNF-HZPDHXFCSA-N 0 1 278.440 2.923 20 30 CFEDMN C=CCN1CCCN(C(=O)[C@@H]2CCCCC2(F)F)CC1 ZINC000981688498 613691905 /nfs/dbraw/zinc/69/19/05/613691905.db2.gz YNGQIXIETQYBJU-ZDUSSCGKSA-N 0 1 286.366 2.532 20 30 CFEDMN C=CCN1CCCN(C(=O)[C@H]2CCC[C@@H]2CCC)CC1 ZINC000981501276 613694212 /nfs/dbraw/zinc/69/42/12/613694212.db2.gz NSRFHGIWINPHNF-HOTGVXAUSA-N 0 1 278.440 2.923 20 30 CFEDMN C=CCN1CCCN(C(=O)[C@H]2[C@H](C=C(C)C)C2(C)C)CC1 ZINC000981587582 613695741 /nfs/dbraw/zinc/69/57/41/613695741.db2.gz LGHLDWHATGDKBE-JKSUJKDBSA-N 0 1 290.451 2.945 20 30 CFEDMN C=CCN1CCCN(C(=O)c2ccc3cc(C)cn3c2)CC1 ZINC000981295563 613697026 /nfs/dbraw/zinc/69/70/26/613697026.db2.gz PXBVFRXFNCPWIG-UHFFFAOYSA-N 0 1 297.402 2.582 20 30 CFEDMN C=CCN1CCCN(C(=O)c2ccc(C)cc2Cl)CC1 ZINC000982011779 613697616 /nfs/dbraw/zinc/69/76/16/613697616.db2.gz LCXBYDNZWKHYMY-UHFFFAOYSA-N 0 1 292.810 2.982 20 30 CFEDMN C=CCN1CC[C@@H](C)[C@@H](NC(=O)c2cc(C)cc(F)c2)C1 ZINC000968349291 613728962 /nfs/dbraw/zinc/72/89/62/613728962.db2.gz HPDZTHOXTLKUSW-CJNGLKHVSA-N 0 1 290.382 2.760 20 30 CFEDMN C=CCN1CC[C@@H](C)[C@@H](NC(=O)c2ccccc2CC)C1 ZINC000968036092 613730456 /nfs/dbraw/zinc/73/04/56/613730456.db2.gz QJYHWPSGFMIBNB-PBHICJAKSA-N 0 1 286.419 2.875 20 30 CFEDMN C=CCN1CC[C@@H](C)[C@@H](NC(=O)c2ccoc2CCC)C1 ZINC000968543380 613730828 /nfs/dbraw/zinc/73/08/28/613730828.db2.gz AXVNNCYUCRFWOI-HIFRSBDPSA-N 0 1 290.407 2.858 20 30 CFEDMN C=CCN1CC[C@@H](C)[C@@H](NC(=O)c2cscc2C)C1 ZINC000965862855 613731158 /nfs/dbraw/zinc/73/11/58/613731158.db2.gz QKWSFTNDYXGSJD-RISCZKNCSA-N 0 1 278.421 2.683 20 30 CFEDMN C=CCN1CC[C@@H](C)[C@H](NC(=O)c2sc(C)cc2C)C1 ZINC000966418426 613737274 /nfs/dbraw/zinc/73/72/74/613737274.db2.gz FGXRNWZLPSPESE-BXUZGUMPSA-N 0 1 292.448 2.991 20 30 CFEDMN C=CCN1CC[C@H](C)[C@@H](NC(=O)Cc2ccc(C)cc2)C1 ZINC000967278611 613767098 /nfs/dbraw/zinc/76/70/98/613767098.db2.gz FDGNIYMAMUPYKP-RDJZCZTQSA-N 0 1 286.419 2.550 20 30 CFEDMN C=CCN1CC[C@H](C)[C@@H](NC(=O)c2ccc(C)c(F)c2)C1 ZINC000967279696 613768656 /nfs/dbraw/zinc/76/86/56/613768656.db2.gz PNRQBOMILUDANR-BBRMVZONSA-N 0 1 290.382 2.760 20 30 CFEDMN C=CCN1CC[C@H](C)[C@@H](NC(=O)c2cc(C)ccc2C)C1 ZINC000968589100 613768760 /nfs/dbraw/zinc/76/87/60/613768760.db2.gz QMPOQLJRCXNBTG-RDJZCZTQSA-N 0 1 286.419 2.930 20 30 CFEDMN C=CCN1CC[C@H](C)[C@@H](NC(=O)c2oc(CC)cc2C)C1 ZINC000968549821 613770886 /nfs/dbraw/zinc/77/08/86/613770886.db2.gz YLYSUPVAEPXONK-WFASDCNBSA-N 0 1 290.407 2.777 20 30 CFEDMN C=CCN1CC[C@H](C)[C@@H](NC(=O)c2csc(C)c2C)C1 ZINC000966328521 613771308 /nfs/dbraw/zinc/77/13/08/613771308.db2.gz RBYXFQYPVSCJMN-NHYWBVRUSA-N 0 1 292.448 2.991 20 30 CFEDMN C=CCN1CC[C@H](C)[C@H](NC(=O)c2ccc(C)cc2)C1 ZINC000968583079 613773120 /nfs/dbraw/zinc/77/31/20/613773120.db2.gz JKEGQRFYKAEWBA-GOEBONIOSA-N 0 1 272.392 2.621 20 30 CFEDMN C=CCN1CC[C@H](C)[C@H](NC(=O)c2cccc(F)c2F)C1 ZINC000968061503 613774316 /nfs/dbraw/zinc/77/43/16/613774316.db2.gz SMASOZNEYMQPSA-SMDDNHRTSA-N 0 1 294.345 2.591 20 30 CFEDMN C=CCN1C[C@@H](NC(=O)c2c[nH]cc2C2CC2)C(C)(C)C1 ZINC000977419051 613809385 /nfs/dbraw/zinc/80/93/85/613809385.db2.gz DGAGRUPQTMPWNP-OAHLLOKOSA-N 0 1 287.407 2.518 20 30 CFEDMN C=CCN1C[C@@H](NC(=O)c2cc[nH]c2C2CC2)C(C)(C)C1 ZINC000974987239 613810140 /nfs/dbraw/zinc/81/01/40/613810140.db2.gz TUVHWJQZLUILHA-CQSZACIVSA-N 0 1 287.407 2.518 20 30 CFEDMN C=CCN1C[C@@H](NC(=O)c2cccn2C(C)C)C(C)(C)C1 ZINC000977622513 613811314 /nfs/dbraw/zinc/81/13/14/613811314.db2.gz NSENLDQNKYLHTB-OAHLLOKOSA-N 0 1 289.423 2.695 20 30 CFEDMN C=CCN1C[C@H](NC(=O)[C@@H]2CCCC2(C)C)C(C)(C)C1 ZINC000974934484 613827200 /nfs/dbraw/zinc/82/72/00/613827200.db2.gz IIRUVTOHBKNTEV-KBPBESRZSA-N 0 1 278.440 2.825 20 30 CFEDMN C=CCN1C[C@H](NC(=O)c2cc(C)cc(F)c2)C(C)(C)C1 ZINC000975068220 613828373 /nfs/dbraw/zinc/82/83/73/613828373.db2.gz VLGMKGOBGLYSFV-HNNXBMFYSA-N 0 1 290.382 2.760 20 30 CFEDMN C=CCN1C[C@H](NC(=O)c2cc3ccccc3[nH]2)C(C)(C)C1 ZINC000977565668 613828739 /nfs/dbraw/zinc/82/87/39/613828739.db2.gz JUXLTSZMGCFWMM-INIZCTEOSA-N 0 1 297.402 2.794 20 30 CFEDMN CC(C)(C)CC(=O)N1CC[C@@H](NCc2ccccc2C#N)C1 ZINC000967101812 613904404 /nfs/dbraw/zinc/90/44/04/613904404.db2.gz XKHDTUIVNZFOGB-MRXNPFEDSA-N 0 1 299.418 2.685 20 30 CFEDMN CC(C)C(=O)N[C@@H]1CCN(CC#Cc2ccccc2)C[C@@H]1C ZINC000941832032 613924640 /nfs/dbraw/zinc/92/46/40/613924640.db2.gz KSKXHVOBBBNTKB-FUHWJXTLSA-N 0 1 298.430 2.521 20 30 CFEDMN CC(C)C(=O)N[C@@H]1CN(Cc2cccc(C#N)c2)CC[C@H]1C ZINC000965248151 613936782 /nfs/dbraw/zinc/93/67/82/613936782.db2.gz RWEYVDUPEFCJDU-RHSMWYFYSA-N 0 1 299.418 2.541 20 30 CFEDMN CC(C)C(=O)N[C@H]1CCN(CC#Cc2ccccc2)C[C@@H]1C ZINC000941832034 613954420 /nfs/dbraw/zinc/95/44/20/613954420.db2.gz KSKXHVOBBBNTKB-WMZOPIPTSA-N 0 1 298.430 2.521 20 30 CFEDMN C=C(Br)CNCc1ccc2[nH]cnc2c1 ZINC000308861072 617910028 /nfs/dbraw/zinc/91/00/28/617910028.db2.gz VFQYWBDMOBFBKB-UHFFFAOYSA-N 0 1 266.142 2.561 20 30 CFEDMN C=C(Br)CNCc1ccc2nc[nH]c2c1 ZINC000308861072 617910052 /nfs/dbraw/zinc/91/00/52/617910052.db2.gz VFQYWBDMOBFBKB-UHFFFAOYSA-N 0 1 266.142 2.561 20 30 CFEDMN CC#CC[N@H+]1CC[C@H]2[C@H](CCCN2C(=O)C2CCCC2)C1 ZINC001021493753 618028570 /nfs/dbraw/zinc/02/85/70/618028570.db2.gz VWMUCHDCOJTSQJ-SJORKVTESA-N 0 1 288.435 2.513 20 30 CFEDMN Oc1cc(Cl)c(C=NN[C@@H]2CCCOC2)cc1Cl ZINC000780262585 618079433 /nfs/dbraw/zinc/07/94/33/618079433.db2.gz PAVUOMSMYDGWIO-SECBINFHSA-N 0 1 289.162 2.802 20 30 CFEDMN C=CC(C)(C)NC(=O)NC[C@@H](c1ccco1)N1CCCC1 ZINC000891520553 617649286 /nfs/dbraw/zinc/64/92/86/617649286.db2.gz IXUABITXWORDKY-ZDUSSCGKSA-N 0 1 291.395 2.680 20 30 CFEDMN C#CCN(Cc1ccc(Br)nc1N)C(C)(C)C ZINC000932462404 617773793 /nfs/dbraw/zinc/77/37/93/617773793.db2.gz YIAHEXUMNNTXIG-UHFFFAOYSA-N 0 1 296.212 2.660 20 30 CFEDMN CN(CCO[C@@H]1CCCCO1)Cc1cc(C#N)cs1 ZINC000933773992 617775247 /nfs/dbraw/zinc/77/52/47/617775247.db2.gz UJCTXVATFKSCEH-CQSZACIVSA-N 0 1 280.393 2.595 20 30 CFEDMN C[C@@H]1CC[C@H](CN(C)Cc2cc(C#N)cs2)O1 ZINC000933773279 617775902 /nfs/dbraw/zinc/77/59/02/617775902.db2.gz IULOVIXYDUCDRO-ZYHUDNBSSA-N 0 1 250.367 2.619 20 30 CFEDMN N#Cc1cc(CN2CCC(c3ncc[nH]3)CC2)cs1 ZINC000891844647 617784558 /nfs/dbraw/zinc/78/45/58/617784558.db2.gz JWDOMJOSICVWMX-UHFFFAOYSA-N 0 1 272.377 2.722 20 30 CFEDMN Cc1ccc(C#N)cc1C(=O)OCc1nnc(C(C)(C)C)[nH]1 ZINC000924392216 617852725 /nfs/dbraw/zinc/85/27/25/617852725.db2.gz PUZOBZSTWYDKIJ-UHFFFAOYSA-N 0 1 298.346 2.639 20 30 CFEDMN Cc1ccc(C#N)cc1C(=O)OCc1n[nH]c(C(C)(C)C)n1 ZINC000924392216 617852733 /nfs/dbraw/zinc/85/27/33/617852733.db2.gz PUZOBZSTWYDKIJ-UHFFFAOYSA-N 0 1 298.346 2.639 20 30 CFEDMN C=CCN(Cc1cnc2n1CCOC2)CC1CCCCC1 ZINC000892035443 617920512 /nfs/dbraw/zinc/92/05/12/617920512.db2.gz KACFXQRIORMPKM-UHFFFAOYSA-N 0 1 289.423 2.982 20 30 CFEDMN CN(CCC(=O)OC(C)(C)C)Cc1csc(C#N)c1 ZINC000892119854 617960303 /nfs/dbraw/zinc/96/03/03/617960303.db2.gz IGJLJILTGUOBOZ-UHFFFAOYSA-N 0 1 280.393 2.783 20 30 CFEDMN C=CC1CCN(Cn2nc(C(=O)OC)c3ccccc32)CC1 ZINC000177625490 617974818 /nfs/dbraw/zinc/97/48/18/617974818.db2.gz YRQHGBCVMQPION-UHFFFAOYSA-N 0 1 299.374 2.678 20 30 CFEDMN Cc1cc(CN=Nc2cncnc2)c2c(n1)CCCC2 ZINC000901237350 620769445 /nfs/dbraw/zinc/76/94/45/620769445.db2.gz QJSNMVSXXCYXTR-UHFFFAOYSA-N 0 1 267.336 2.505 20 30 CFEDMN Cc1nc([C@H](C)OC(=O)C[C@@H](CC#N)c2ccccc2)n[nH]1 ZINC000840540166 618027597 /nfs/dbraw/zinc/02/75/97/618027597.db2.gz QIESHFKGTLKGSQ-SMDDNHRTSA-N 0 1 298.346 2.805 20 30 CFEDMN C=CC[C@H]1CC[N@@H+]1Cc1cc(C(=O)OC)oc1CC ZINC000934464367 618043751 /nfs/dbraw/zinc/04/37/51/618043751.db2.gz FQTXCURUFWEUTG-LBPRGKRZSA-N 0 1 263.337 2.779 20 30 CFEDMN C=CC[C@H]1CCN1Cc1cc(C(=O)OC)oc1CC ZINC000934464367 618043753 /nfs/dbraw/zinc/04/37/53/618043753.db2.gz FQTXCURUFWEUTG-LBPRGKRZSA-N 0 1 263.337 2.779 20 30 CFEDMN C/C(=C(\F)C(=O)Nc1cc(C#N)ccc1O)C1CC1 ZINC000901224241 620773806 /nfs/dbraw/zinc/77/38/06/620773806.db2.gz AYQZZBDPNUVCMB-MDWZMJQESA-N 0 1 260.268 2.856 20 30 CFEDMN CCNN=C(C)c1ccc([O-])c(C[NH+]2CCCCC2)c1 ZINC000901278476 620775718 /nfs/dbraw/zinc/77/57/18/620775718.db2.gz RXEKUMLFLGVTQV-UHFFFAOYSA-N 0 1 275.396 2.712 20 30 CFEDMN CCNN=C(C)c1ccc([O-])c(C[NH+](CC)CC)c1 ZINC000901278529 620775780 /nfs/dbraw/zinc/77/57/80/620775780.db2.gz SSGLJPFHLOLMAU-UHFFFAOYSA-N 0 1 263.385 2.568 20 30 CFEDMN CCn1cc(C=NNc2ccc(Cl)cn2)c(C)n1 ZINC000901265241 620778206 /nfs/dbraw/zinc/77/82/06/620778206.db2.gz WISJVVWAVMIERP-UHFFFAOYSA-N 0 1 263.732 2.706 20 30 CFEDMN N#CCC[C@@H](C#N)CN1CCC[C@@H](C2CCOCC2)C1 ZINC000933081158 618150886 /nfs/dbraw/zinc/15/08/86/618150886.db2.gz GOXVMLDIVDEAOJ-GOEBONIOSA-N 0 1 275.396 2.569 20 30 CFEDMN C=C1CCC(C(=O)N2[C@H](C)CN(C)[C@@H](C)[C@H]2C)CC1 ZINC000892352717 618178075 /nfs/dbraw/zinc/17/80/75/618178075.db2.gz HPIFWZOKDOBAQG-HZSPNIEDSA-N 0 1 264.413 2.672 20 30 CFEDMN Cc1cc(C#N)nc(N2CCN(Cc3ccccc3)CC2)c1 ZINC000891394982 618183459 /nfs/dbraw/zinc/18/34/59/618183459.db2.gz LHKSIWBJQYKHEZ-UHFFFAOYSA-N 0 1 292.386 2.584 20 30 CFEDMN C#CC[N@@H+]1CCC[C@@H](CNC(=O)c2ccccc2CCC)C1 ZINC001023480080 618192566 /nfs/dbraw/zinc/19/25/66/618192566.db2.gz ZLQVZDJTGSXJHK-INIZCTEOSA-N 0 1 298.430 2.714 20 30 CFEDMN Oc1c(F)cc(Cl)cc1C=Nn1nnc2c1CCCC2 ZINC000901331192 620786676 /nfs/dbraw/zinc/78/66/76/620786676.db2.gz MIPGETZATBISLB-UHFFFAOYSA-N 0 1 294.717 2.537 20 30 CFEDMN C#C[C@H](C)NC(=O)c1cc(Cl)c2ccccc2c1O ZINC000775383820 618260111 /nfs/dbraw/zinc/26/01/11/618260111.db2.gz KQCMNPMXWJZNMA-VIFPVBQESA-N 0 1 273.719 2.950 20 30 CFEDMN CCCn1cc(CN=Nc2ccc(Cl)cc2F)nn1 ZINC000901318861 620790831 /nfs/dbraw/zinc/79/08/31/620790831.db2.gz XYCDXJLVZSQLDK-UHFFFAOYSA-N 0 1 281.722 2.927 20 30 CFEDMN CC1(C)CCC[C@H](C(=O)C(C#N)C(=O)N2CCCC2)C1 ZINC000179379746 618268441 /nfs/dbraw/zinc/26/84/41/618268441.db2.gz DFTQCJFPOISGMV-STQMWFEESA-N 0 1 276.380 2.534 20 30 CFEDMN C[C@@H](c1cccc(C#N)c1)[N@@H+](C)Cc1ccc(N)nc1 ZINC000930763648 618272312 /nfs/dbraw/zinc/27/23/12/618272312.db2.gz GUFLKQWIRZLHKK-LBPRGKRZSA-N 0 1 266.348 2.728 20 30 CFEDMN C[C@@H](c1cccc(C#N)c1)N(C)Cc1ccc(N)nc1 ZINC000930763648 618272315 /nfs/dbraw/zinc/27/23/15/618272315.db2.gz GUFLKQWIRZLHKK-LBPRGKRZSA-N 0 1 266.348 2.728 20 30 CFEDMN N#Cc1ccccc1/C=C\C(=O)c1cc(O)ccc1O ZINC000255739831 618275452 /nfs/dbraw/zinc/27/54/52/618275452.db2.gz DJAZXIQNPSVVLW-ALCCZGGFSA-N 0 1 265.268 2.866 20 30 CFEDMN CN1CCN(c2nc(Cl)c(C#N)s2)C[C@H]1C(C)(C)C ZINC000895101809 618293390 /nfs/dbraw/zinc/29/33/90/618293390.db2.gz OZVHHCCMDSFACS-JTQLQIEISA-N 0 1 298.843 2.835 20 30 CFEDMN CC(C)(C)[C@H]1CCN(Cc2csc(C#N)c2)C[C@@H]1O ZINC000893311445 618304422 /nfs/dbraw/zinc/30/44/22/618304422.db2.gz WZYZNENQPBSDEW-KBPBESRZSA-N 0 1 278.421 2.849 20 30 CFEDMN C=C(C)C[N@H+]1CCCC[C@H]1CNC(=O)c1ccncc1C ZINC001024427781 618314410 /nfs/dbraw/zinc/31/44/10/618314410.db2.gz OMCVEAPAPMXZQZ-HNNXBMFYSA-N 0 1 287.407 2.550 20 30 CFEDMN C=CCN1CCCC[C@@H]1CNC(=O)[C@@H]1C[C@@H]2C=C[C@H]1CC2 ZINC001024451736 618318998 /nfs/dbraw/zinc/31/89/98/618318998.db2.gz FOLZNOOKRQSVGA-YYIAUSFCSA-N 0 1 288.435 2.745 20 30 CFEDMN C=CCN1CCCC[C@H]1CNC(=O)c1cc2occc2[nH]1 ZINC001024463772 618322702 /nfs/dbraw/zinc/32/27/02/618322702.db2.gz YXEXIVOOANBJKE-LBPRGKRZSA-N 0 1 287.363 2.531 20 30 CFEDMN Cc1cc(C(C#N)C(=O)C[C@H]2CCC3(CCC3)O2)nc(C)n1 ZINC000892476956 618337916 /nfs/dbraw/zinc/33/79/16/618337916.db2.gz UHPYTLCCUWCGLS-KGLIPLIRSA-N 0 1 299.374 2.762 20 30 CFEDMN C#CC[N@@H+]1CCCC[C@H]1CNC(=O)[C@H]1CCC=CCCC1 ZINC001024507737 618341064 /nfs/dbraw/zinc/34/10/64/618341064.db2.gz XUTMZINLKNFGEX-IRXDYDNUSA-N 0 1 288.435 2.727 20 30 CFEDMN C#CCN1CCCC[C@H]1CNC(=O)[C@H]1CCC=CCCC1 ZINC001024507737 618341071 /nfs/dbraw/zinc/34/10/71/618341071.db2.gz XUTMZINLKNFGEX-IRXDYDNUSA-N 0 1 288.435 2.727 20 30 CFEDMN CC#CCN1CCCC[C@@H]1CNC(=O)C12CCC(CC1)C2 ZINC001024513295 618342014 /nfs/dbraw/zinc/34/20/14/618342014.db2.gz ORUSEUISFPIEBU-UPTPFMHGSA-N 0 1 288.435 2.561 20 30 CFEDMN Cc1c(C(=O)Nc2cc(C#N)ccc2O)cnn1C(C)(C)C ZINC000179728351 618342989 /nfs/dbraw/zinc/34/29/89/618342989.db2.gz OCAXRQAUECDOBU-UHFFFAOYSA-N 0 1 298.346 2.776 20 30 CFEDMN C=CCN1CCCC[C@@H]1CNC(=O)[C@H]1CC[C@@H]2C[C@@H]2CC1 ZINC001024573261 618387331 /nfs/dbraw/zinc/38/73/31/618387331.db2.gz YXZNINDKDKRWJG-YYIAUSFCSA-N 0 1 290.451 2.969 20 30 CFEDMN C=CCN1CCCC[C@H]1CNC(=O)c1nccc2occc21 ZINC001024573245 618388118 /nfs/dbraw/zinc/38/81/18/618388118.db2.gz YMUBPWPBFCJFBO-ZDUSSCGKSA-N 0 1 299.374 2.598 20 30 CFEDMN C=CCN1CCCC[C@H]1CNC(=O)c1cc(F)ccc1C ZINC001024578686 618389722 /nfs/dbraw/zinc/38/97/22/618389722.db2.gz ZHGCRANZOAFONC-HNNXBMFYSA-N 0 1 290.382 2.904 20 30 CFEDMN CC#CCN1CCCC[C@H]1CNC(=O)C1CCC(F)CC1 ZINC001024637662 618428823 /nfs/dbraw/zinc/42/88/23/618428823.db2.gz MSRLWQRZSJVADE-GPANFISMSA-N 0 1 294.414 2.509 20 30 CFEDMN C=C(C)C[N@H+]1CCCC[C@H]1CNC(=O)C1CC2(CC2)C1 ZINC001024643824 618431037 /nfs/dbraw/zinc/43/10/37/618431037.db2.gz HVXSIKAWMUQQPR-HNNXBMFYSA-N 0 1 276.424 2.723 20 30 CFEDMN C=Cc1ccc(C(=O)NC[C@H]2CCCCN2CC#CC)cc1 ZINC001024669301 618438171 /nfs/dbraw/zinc/43/81/71/618438171.db2.gz GGHBSTKEVLGZOE-GOSISDBHSA-N 0 1 296.414 2.937 20 30 CFEDMN Oc1c(F)cc(C=NNCc2cccc(F)c2)cc1F ZINC000749859832 618445148 /nfs/dbraw/zinc/44/51/48/618445148.db2.gz ZRBIKCWCBJEAKO-UHFFFAOYSA-N 0 1 280.249 2.933 20 30 CFEDMN C=CCN1CCCC[C@@H]1CNC(=O)c1oc(CC)cc1C ZINC001024760242 618463033 /nfs/dbraw/zinc/46/30/33/618463033.db2.gz RANMUZWNDKNVPM-CQSZACIVSA-N 0 1 290.407 2.921 20 30 CFEDMN C#CCNCC(=O)N[C@H](c1ccc(C(C)C)cc1)C(C)C ZINC000727238604 618465041 /nfs/dbraw/zinc/46/50/41/618465041.db2.gz IJOWEXBUOYTHGB-SFHVURJKSA-N 0 1 286.419 2.846 20 30 CFEDMN COc1cc(CN=Nc2ccc(C)cn2)ccc1OC(C)=O ZINC000727263036 618477975 /nfs/dbraw/zinc/47/79/75/618477975.db2.gz JXQMVKITQZXNNC-UHFFFAOYSA-N 0 1 299.330 2.770 20 30 CFEDMN Cc1ccc(N=NCc2ccc3c(c2)OCCO3)nc1 ZINC000727262867 618478087 /nfs/dbraw/zinc/47/80/87/618478087.db2.gz AWFHEVGKILYMIO-UHFFFAOYSA-N 0 1 269.304 2.607 20 30 CFEDMN N#CC[C@@H]1CCCN(Cc2cnn(CC3CCC3)c2)C1 ZINC000895314043 618530401 /nfs/dbraw/zinc/53/04/01/618530401.db2.gz QJTPJISSCWXWIN-HNNXBMFYSA-N 0 1 272.396 2.809 20 30 CFEDMN C#CC1(O)CCN(Cc2ccc(Cl)c(C)c2)CC1 ZINC000895384445 618561095 /nfs/dbraw/zinc/56/10/95/618561095.db2.gz ONLAOWLNEGPUIS-UHFFFAOYSA-N 0 1 263.768 2.609 20 30 CFEDMN C=CC(C)(C)CCNCc1ncc(C(=O)OC)s1 ZINC000895390788 618563818 /nfs/dbraw/zinc/56/38/18/618563818.db2.gz YCAIHCDATLAJGM-UHFFFAOYSA-N 0 1 268.382 2.622 20 30 CFEDMN N#CC(C(=O)C[C@@H]1C[C@H]1C1CC1)c1nnc2n1CCCCC2 ZINC000892550767 618629223 /nfs/dbraw/zinc/62/92/23/618629223.db2.gz SRCWDHXGTQOZLL-MELADBBJSA-N 0 1 298.390 2.617 20 30 CFEDMN C#C[C@@H](CC)NCc1cc(Br)ccc1OC ZINC000229896074 618647485 /nfs/dbraw/zinc/64/74/85/618647485.db2.gz KHIMKEAEFZAVAZ-LBPRGKRZSA-N 0 1 282.181 2.959 20 30 CFEDMN N#C[C@H]1CC[C@H](NCc2ccc(Br)cn2)C1 ZINC000309545357 618897674 /nfs/dbraw/zinc/89/76/74/618897674.db2.gz HUYIAPLUIKZWOV-ONGXEEELSA-N 0 1 280.169 2.626 20 30 CFEDMN Cc1cc2ccccc2nc1NN=Cc1cc[nH]n1 ZINC000776783350 618939556 /nfs/dbraw/zinc/93/95/56/618939556.db2.gz AAMXUTDSDLDEGB-UHFFFAOYSA-N 0 1 251.293 2.712 20 30 CFEDMN C=CCN1CCC[C@H](NC(=O)c2cccc(F)c2Cl)C1 ZINC001008655791 618956913 /nfs/dbraw/zinc/95/69/13/618956913.db2.gz ATIHXUXHALWQTP-NSHDSACASA-N 0 1 296.773 2.859 20 30 CFEDMN C=CCN1CCC[C@H](NC(=O)[C@H]2CCc3ccccc3C2)C1 ZINC001008665242 618960208 /nfs/dbraw/zinc/96/02/08/618960208.db2.gz LFKHTEQVDKIEEP-ROUUACIJSA-N 0 1 298.430 2.558 20 30 CFEDMN COCC1(C)CCN(Cc2csc(C#N)c2)CC1 ZINC000893434000 618990987 /nfs/dbraw/zinc/99/09/87/618990987.db2.gz PHOYNMYJKMLTPE-UHFFFAOYSA-N 0 1 264.394 2.868 20 30 CFEDMN C=CCN1CCC[C@@H](NC(=O)C2(c3cccc(C)c3)CC2)C1 ZINC001009632530 619004904 /nfs/dbraw/zinc/00/49/04/619004904.db2.gz XACMOKLJFNTTQS-QGZVFWFLSA-N 0 1 298.430 2.793 20 30 CFEDMN CCOC(CN[C@@H](C)c1cccc(C#N)c1)OCC ZINC000093447054 619023726 /nfs/dbraw/zinc/02/37/26/619023726.db2.gz BRNOJKPDICFHME-LBPRGKRZSA-N 0 1 262.353 2.608 20 30 CFEDMN N#Cc1cncc(CN2CCC[C@@H](OC3CCC3)CC2)c1 ZINC000931535011 619034343 /nfs/dbraw/zinc/03/43/43/619034343.db2.gz BVPPFDZQFZUUEU-QGZVFWFLSA-N 0 1 285.391 2.877 20 30 CFEDMN CC(C)(O)[C@H]1CCN(Cc2cc(Cl)cc(C#N)c2)C1 ZINC000931622924 619064194 /nfs/dbraw/zinc/06/41/94/619064194.db2.gz UFIKTLHNOFSREU-ZDUSSCGKSA-N 0 1 278.783 2.804 20 30 CFEDMN C=C[C@H]1CCCCN1c1nc(Cl)nc2[nH]cnc21 ZINC000893551809 619067258 /nfs/dbraw/zinc/06/72/58/619067258.db2.gz PEWSIZYHLNBCEB-QMMMGPOBSA-N 0 1 263.732 2.551 20 30 CFEDMN CC[C@H](CC#N)NC1CC(CNC(=O)OC(C)(C)C)C1 ZINC000893605505 619090190 /nfs/dbraw/zinc/09/01/90/619090190.db2.gz HDWNETUBFZMMSF-OTTFEQOBSA-N 0 1 281.400 2.572 20 30 CFEDMN C#C[C@H](NCc1ccc(CC(C)C)nc1)[C@H]1CCCO1 ZINC000893677536 619154038 /nfs/dbraw/zinc/15/40/38/619154038.db2.gz VTMAKUXBMOHOIR-DLBZAZTESA-N 0 1 272.392 2.551 20 30 CFEDMN CCOC(=O)CC(C)(C)CCN1CCC[C@@H](C#N)C1 ZINC000932155189 619198129 /nfs/dbraw/zinc/19/81/29/619198129.db2.gz YVHYRDDXEUCNME-ZDUSSCGKSA-N 0 1 266.385 2.591 20 30 CFEDMN CCOC(=O)CC(C)(C)CCN1CCC[C@H](C#N)C1 ZINC000932155188 619198412 /nfs/dbraw/zinc/19/84/12/619198412.db2.gz YVHYRDDXEUCNME-CYBMUJFWSA-N 0 1 266.385 2.591 20 30 CFEDMN N#Cc1csc(CN=Nc2cc(F)c(F)cc2F)n1 ZINC000814849987 619263514 /nfs/dbraw/zinc/26/35/14/619263514.db2.gz SQMSCZZMUNQYAK-UHFFFAOYSA-N 0 1 282.250 2.878 20 30 CFEDMN N#C[C@@H](C(=O)CC1CCCC1)C(=O)NC1CCCCC1 ZINC000048541080 619353964 /nfs/dbraw/zinc/35/39/64/619353964.db2.gz STORVBJEBVZXLX-AWEZNQCLSA-N 0 1 276.380 2.724 20 30 CFEDMN C=CCC(C)(C)CNCc1ncc(C(=O)OC)s1 ZINC000894854620 619484318 /nfs/dbraw/zinc/48/43/18/619484318.db2.gz IBENEVODJHCZGL-UHFFFAOYSA-N 0 1 268.382 2.622 20 30 CFEDMN C#Cc1ccc(CN[C@H](C)c2cnc(C)nc2C)cc1 ZINC000894871712 619492987 /nfs/dbraw/zinc/49/29/87/619492987.db2.gz AWXYMLSXCPGUIM-GFCCVEGCSA-N 0 1 265.360 2.926 20 30 CFEDMN CC(C)c1ccsc1C(=O)NC1=NCCS1 ZINC000049023621 619504799 /nfs/dbraw/zinc/50/47/99/619504799.db2.gz FLNPQKIWOGZJOK-UHFFFAOYSA-N 0 1 254.380 2.704 20 30 CFEDMN CC[C@H](C)CON=Cc1cc(OC)c(O)c([N+](=O)[O-])c1 ZINC000793163819 619534276 /nfs/dbraw/zinc/53/42/76/619534276.db2.gz NFAFGTXWGQFRQN-VIFPVBQESA-N 0 1 282.296 2.706 20 30 CFEDMN CC[C@@H](C)CON=Cc1cc(OC)c(O)c([N+](=O)[O-])c1 ZINC000793163817 619534366 /nfs/dbraw/zinc/53/43/66/619534366.db2.gz NFAFGTXWGQFRQN-SECBINFHSA-N 0 1 282.296 2.706 20 30 CFEDMN COc1cc(CN(CCC#N)CC2CC2)c(O)cc1C ZINC000160139050 619537417 /nfs/dbraw/zinc/53/74/17/619537417.db2.gz ZCCCQGAXGLYHBG-UHFFFAOYSA-N 0 1 274.364 2.835 20 30 CFEDMN C[C@@H](NC(=O)[C@@H]1CCN1C(C)(C)C)c1ccc(C#N)cc1 ZINC000895637751 619574324 /nfs/dbraw/zinc/57/43/24/619574324.db2.gz NTQQEVQOPWYQEB-DOMZBBRYSA-N 0 1 285.391 2.608 20 30 CFEDMN CN1CC[C@H]1CNc1cccc(C(F)F)c1C#N ZINC000895768821 619602665 /nfs/dbraw/zinc/60/26/65/619602665.db2.gz IDAVJJBQOBMTPZ-VIFPVBQESA-N 0 1 251.280 2.612 20 30 CFEDMN CN1CC[C@@H]1CNc1ccc(C#N)cc1C(F)(F)F ZINC000895769760 619603265 /nfs/dbraw/zinc/60/32/65/619603265.db2.gz HRVMZOWWTFOHIB-SNVBAGLBSA-N 0 1 269.270 2.693 20 30 CFEDMN C#CCN1CCC(Nc2nc(C)nc(Cl)c2CC)CC1 ZINC000895808982 619609822 /nfs/dbraw/zinc/60/98/22/619609822.db2.gz PGYTXPSCWNBQQC-UHFFFAOYSA-N 0 1 292.814 2.510 20 30 CFEDMN C#C[C@H]1CC[C@H](NCc2nnc(C(C)C)s2)CC1 ZINC000895952134 619643079 /nfs/dbraw/zinc/64/30/79/619643079.db2.gz FMAJBECJFRSJLI-HAQNSBGRSA-N 0 1 263.410 2.943 20 30 CFEDMN C[C@H](CCC#N)CN[C@@H]1c2ccccc2OC[C@@H]1F ZINC000896424320 619734940 /nfs/dbraw/zinc/73/49/40/619734940.db2.gz ZZQLBLQIFBNDFE-OSAQELSMSA-N 0 1 262.328 2.988 20 30 CFEDMN O=C(C#Cc1ccccc1)N1CCN(C2CCCCC2)CC1 ZINC000020448030 619749381 /nfs/dbraw/zinc/74/93/81/619749381.db2.gz WWYCEQSACRKQLG-UHFFFAOYSA-N 0 1 296.414 2.515 20 30 CFEDMN N#C[C@H]1CCCN(Cc2cccc(Cl)c2O)C1 ZINC000896507226 619753179 /nfs/dbraw/zinc/75/31/79/619753179.db2.gz ZUNXQAVWQLSURK-SNVBAGLBSA-N 0 1 250.729 2.781 20 30 CFEDMN C=CCc1cc(CN2CCO[C@@H](C)CC2)cc(OC)c1O ZINC000896583719 619766745 /nfs/dbraw/zinc/76/67/45/619766745.db2.gz FXGWTCBEBVTUTL-ZDUSSCGKSA-N 0 1 291.391 2.740 20 30 CFEDMN C=CCOc1cccc(C[N@H+]2CCO[C@H](C)CC2)c1 ZINC000896586264 619768221 /nfs/dbraw/zinc/76/82/21/619768221.db2.gz YXHTUSMEEVLKAZ-CQSZACIVSA-N 0 1 261.365 2.862 20 30 CFEDMN C=CCCCCCCCNC(=O)N1CCN[C@@H](C)C1 ZINC000841904540 619843888 /nfs/dbraw/zinc/84/38/88/619843888.db2.gz QZJXWMGQRMZCJR-AWEZNQCLSA-N 0 1 267.417 2.516 20 30 CFEDMN C=C(Cl)CN(C)C1CCN(C(=O)c2ccoc2C)CC1 ZINC000985256446 619932957 /nfs/dbraw/zinc/93/29/57/619932957.db2.gz NOABDMGCTUZXKN-UHFFFAOYSA-N 0 1 296.798 2.877 20 30 CFEDMN C#CCN1CCC(NC(=O)/C(C)=C\c2ccc(C)cc2)CC1 ZINC000928654297 619937017 /nfs/dbraw/zinc/93/70/17/619937017.db2.gz VXHHNFGVMLISBJ-PEZBUJJGSA-N 0 1 296.414 2.612 20 30 CFEDMN CC#CCN(C)Cc1ccc(-c2cnn(C)c2)s1 ZINC000897166616 619942243 /nfs/dbraw/zinc/94/22/43/619942243.db2.gz AJHFCXIRLHKFSH-UHFFFAOYSA-N 0 1 259.378 2.604 20 30 CFEDMN CC#CCN(C)Cc1ccc(O[C@H](C)COC)cc1 ZINC000897169045 619943531 /nfs/dbraw/zinc/94/35/31/619943531.db2.gz KZKMLUHLXMJCLN-CQSZACIVSA-N 0 1 261.365 2.555 20 30 CFEDMN C#CCN(Cc1cc(OC)ccc1OCOC)C(C)C ZINC000897170748 619943966 /nfs/dbraw/zinc/94/39/66/619943966.db2.gz GZRSNPGXQNBJBQ-UHFFFAOYSA-N 0 1 277.364 2.522 20 30 CFEDMN C#CCN1CCC(NC(=O)[C@@H](C)c2ccc(CC)cc2)CC1 ZINC000928657838 619944652 /nfs/dbraw/zinc/94/46/52/619944652.db2.gz AZDCHRACMRSSDX-HNNXBMFYSA-N 0 1 298.430 2.566 20 30 CFEDMN C=C(Cl)CN(C)C1CCN(C(=O)[C@H](F)C(C)C)CC1 ZINC000985589973 620008205 /nfs/dbraw/zinc/00/82/05/620008205.db2.gz OUZGYJPLYZQMSK-CYBMUJFWSA-N 0 1 290.810 2.656 20 30 CFEDMN C=C(Cl)CN(C)C1CCN(C(=O)[C@@H]2C[C@H]2CC)CC1 ZINC000985667432 620021253 /nfs/dbraw/zinc/02/12/53/620021253.db2.gz SDMBEUXDFMDNCN-TZMCWYRMSA-N 0 1 284.831 2.708 20 30 CFEDMN C=C(Cl)CN[C@@H]1CCN(C(=O)Cc2cccs2)[C@H]1C ZINC000985899448 620050297 /nfs/dbraw/zinc/05/02/97/620050297.db2.gz PQTKGABEYVXIJN-WCQYABFASA-N 0 1 298.839 2.622 20 30 CFEDMN C=C(Cl)CN[C@H]1CCN(C(=O)c2ccccc2C)[C@@H]1C ZINC000985908479 620051279 /nfs/dbraw/zinc/05/12/79/620051279.db2.gz LHICSSADZLPHND-HIFRSBDPSA-N 0 1 292.810 2.940 20 30 CFEDMN C=C(Cl)CN[C@H]1CCN(C(=O)c2occc2C)[C@H]1C ZINC000985979809 620055873 /nfs/dbraw/zinc/05/58/73/620055873.db2.gz GLHPSZHWHCDELH-RYUDHWBXSA-N 0 1 282.771 2.533 20 30 CFEDMN C=C(Cl)CN[C@H]1C[C@H](C)N(C(=O)C(CC)CC)C1 ZINC000988102646 620161861 /nfs/dbraw/zinc/16/18/61/620161861.db2.gz LGRATUSSEQQJSZ-AAEUAGOBSA-N 0 1 272.820 2.754 20 30 CFEDMN C=C(Cl)CN[C@H]1C[C@H](C)N(C(=O)c2ccc(F)cc2)C1 ZINC000987826915 620156032 /nfs/dbraw/zinc/15/60/32/620156032.db2.gz PDPHUFIWBIBJRE-FZMZJTMJSA-N 0 1 296.773 2.771 20 30 CFEDMN C=C(Cl)CN[C@H]1C[C@H](C)N(C(=O)c2ccccc2)C1 ZINC000987856133 620156913 /nfs/dbraw/zinc/15/69/13/620156913.db2.gz LWLVDTLKZLIJAW-JSGCOSHPSA-N 0 1 278.783 2.632 20 30 CFEDMN C=C(Cl)CN[C@@H]1C[C@H](C)N(C(=O)C2CCCCC2)C1 ZINC000987879677 620157561 /nfs/dbraw/zinc/15/75/61/620157561.db2.gz PTWUYVOFZOROPN-GXTWGEPZSA-N 0 1 284.831 2.898 20 30 CFEDMN CC(C)=CC(=O)N1C[C@@H](NCc2ccccc2C#N)C[C@H]1C ZINC000987866836 620158047 /nfs/dbraw/zinc/15/80/47/620158047.db2.gz MBEOLOCFKNAGPX-PBHICJAKSA-N 0 1 297.402 2.603 20 30 CFEDMN C=C(Cl)CN[C@@H]1C[C@@H](C)N(C(=O)CCc2ccco2)C1 ZINC000988047487 620160849 /nfs/dbraw/zinc/16/08/49/620160849.db2.gz GFYDGWOPSHCFGG-CHWSQXEVSA-N 0 1 296.798 2.544 20 30 CFEDMN C=C(Cl)CN[C@H]1C[C@H](C)N(C(=O)c2coc(C)c2)C1 ZINC000988696359 620215760 /nfs/dbraw/zinc/21/57/60/620215760.db2.gz BKMGRZAXOCTDCL-GWCFXTLKSA-N 0 1 282.771 2.533 20 30 CFEDMN C=C(Cl)CN[C@@H]1C[C@@H](C)N(C(=O)C2C=CC=CC=C2)C1 ZINC000988905820 620226771 /nfs/dbraw/zinc/22/67/71/620226771.db2.gz QPPDNUZDCVCENJ-UKRRQHHQSA-N 0 1 292.810 2.616 20 30 CFEDMN C=C(Cl)CN[C@H]1C[C@H](C)N(C(=O)c2[nH]c(C)cc2C)C1 ZINC000989045101 620230140 /nfs/dbraw/zinc/23/01/40/620230140.db2.gz YTEOIWJXTWVBOR-STQMWFEESA-N 0 1 295.814 2.577 20 30 CFEDMN CC[C@@](C)(CN1CCO[C@H](c2ccc(C#N)cc2)C1)OC ZINC000897595636 620254770 /nfs/dbraw/zinc/25/47/70/620254770.db2.gz DRHNRUAWGPXUEP-IRXDYDNUSA-N 0 1 288.391 2.747 20 30 CFEDMN CCC[C@@H](CN(C)Cc1cc(C#N)cs1)OC ZINC000897624788 620261718 /nfs/dbraw/zinc/26/17/18/620261718.db2.gz XUEQRFNGZCMZHP-LBPRGKRZSA-N 0 1 252.383 2.867 20 30 CFEDMN C=C1CCC(C(=O)Nc2cccc3[nH]nnc32)CC1 ZINC000897896822 620300120 /nfs/dbraw/zinc/30/01/20/620300120.db2.gz AMDZULWFNFGNFD-UHFFFAOYSA-N 0 1 256.309 2.643 20 30 CFEDMN C=CCONC(=O)[C@@H](c1ccncc1)C1CCCC1 ZINC000897922048 620304750 /nfs/dbraw/zinc/30/47/50/620304750.db2.gz PTDCTMCVHJHWCC-CQSZACIVSA-N 0 1 260.337 2.589 20 30 CFEDMN C=C(Cl)CN[C@@H]1C[C@@H](C)N(C(=O)c2cc(C)[nH]c2C)C1 ZINC000989494404 620378280 /nfs/dbraw/zinc/37/82/80/620378280.db2.gz GUYGSHHZFGVEID-DGCLKSJQSA-N 0 1 295.814 2.577 20 30 CFEDMN C#CCCN1CCCN(C(=O)c2cc3ccccc3o2)CC1 ZINC000989607311 620383788 /nfs/dbraw/zinc/38/37/88/620383788.db2.gz LDUHUEUFEBRLDK-UHFFFAOYSA-N 0 1 296.370 2.604 20 30 CFEDMN C#CCCN1CCCN(C(=O)c2ccc(C3CC3)cc2)CC1 ZINC000989713412 620387499 /nfs/dbraw/zinc/38/74/99/620387499.db2.gz WWMCOTWTOAKMLV-UHFFFAOYSA-N 0 1 296.414 2.735 20 30 CFEDMN C=CCN1CCCN(C(=O)C2CCC(C)(C)CC2)CC1 ZINC000989760896 620390051 /nfs/dbraw/zinc/39/00/51/620390051.db2.gz HPZVMHONLSJBAF-UHFFFAOYSA-N 0 1 278.440 2.923 20 30 CFEDMN C=CC[N@@H+]1CCCN(C(=O)C[C@H]2CCCC[C@@H]2C)CC1 ZINC000989775605 620391736 /nfs/dbraw/zinc/39/17/36/620391736.db2.gz ZTDFCODXMZVALX-JKSUJKDBSA-N 0 1 278.440 2.923 20 30 CFEDMN C=CCN1CCCN(C(=O)C[C@H]2CCCC[C@@H]2C)CC1 ZINC000989775605 620391739 /nfs/dbraw/zinc/39/17/39/620391739.db2.gz ZTDFCODXMZVALX-JKSUJKDBSA-N 0 1 278.440 2.923 20 30 CFEDMN CCC(=O)N[C@@]12CCC[C@H]1N(CC#Cc1ccccc1)CC2 ZINC000989866549 620395485 /nfs/dbraw/zinc/39/54/85/620395485.db2.gz GRUQYFNJRMIZAQ-IEBWSBKVSA-N 0 1 296.414 2.561 20 30 CFEDMN C=CCN1CC[C@@]2(NC(=O)c3cccs3)CCC[C@@H]12 ZINC000989924685 620402636 /nfs/dbraw/zinc/40/26/36/620402636.db2.gz BEAGWXPDKURNSD-HIFRSBDPSA-N 0 1 276.405 2.661 20 30 CFEDMN Cc1cc(C#N)cc(C)c1CN1C[C@@H](C)OC[C@H]1C ZINC000929183635 620409094 /nfs/dbraw/zinc/40/90/94/620409094.db2.gz YTXAVIFGFJGDAT-ZIAGYGMSSA-N 0 1 258.365 2.784 20 30 CFEDMN C=C(C)CN1CC[C@@H](NC(=O)c2ccc3occc3c2)C1 ZINC001014528135 620414098 /nfs/dbraw/zinc/41/40/98/620414098.db2.gz YSWBEWUGNZGADR-OAHLLOKOSA-N 0 1 284.359 2.813 20 30 CFEDMN C=CCN1CC[C@@]2(NC(=O)c3sccc3F)CCC[C@H]12 ZINC000990496819 620426746 /nfs/dbraw/zinc/42/67/46/620426746.db2.gz OPVZHXYQNNHLEC-WFASDCNBSA-N 0 1 294.395 2.800 20 30 CFEDMN C=CC[C@H]1CCCN(C(=O)[C@H]2CCN2C(C)(C)C)C1 ZINC000898669552 620487367 /nfs/dbraw/zinc/48/73/67/620487367.db2.gz QQCZYLZYNIOMOK-UONOGXRCSA-N 0 1 264.413 2.674 20 30 CFEDMN C=C1C[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1CCN1C(C)(C)C ZINC000898980256 620511557 /nfs/dbraw/zinc/51/15/57/620511557.db2.gz CLEUJMNACHUMJS-HZSPNIEDSA-N 0 1 262.397 2.569 20 30 CFEDMN CCn1cnc(/C=C/C(=O)c2cccc(CN(C)C)c2)c1 ZINC000899377802 620554531 /nfs/dbraw/zinc/55/45/31/620554531.db2.gz GYAJMELADHXXAA-CMDGGOBGSA-N 0 1 283.375 2.861 20 30 CFEDMN C#CCCCCCC[N@@H+]1C[C@@H](C)[C@](C)(C(=O)[O-])C1 ZINC000901541978 620851329 /nfs/dbraw/zinc/85/13/29/620851329.db2.gz CQYZMZSJMKXAMF-UKRRQHHQSA-N 0 1 251.370 2.613 20 30 CFEDMN C#Cc1ccc(C[N@H+](CCC(=O)[O-])CC(C)C)cc1 ZINC000901595574 620865890 /nfs/dbraw/zinc/86/58/90/620865890.db2.gz OKHKYHXZXBSYLH-UHFFFAOYSA-N 0 1 259.349 2.601 20 30 CFEDMN N#CCC[C@@H](C#N)CNCCCOc1cccc(F)c1 ZINC000901706687 620903250 /nfs/dbraw/zinc/90/32/50/620903250.db2.gz OIYRPRBHWLWNSD-ZDUSSCGKSA-N 0 1 275.327 2.628 20 30 CFEDMN C#Cc1ccc(C[N@@H+]2CC[C@](C(=O)[O-])(C(F)(F)F)C2)cc1 ZINC000901785935 620915216 /nfs/dbraw/zinc/91/52/16/620915216.db2.gz IFFWGVTZYNIGTG-AWEZNQCLSA-N 0 1 297.276 2.507 20 30 CFEDMN CCn1cc(CNc2nc3ccc(C#N)cc3[nH]2)c(C)n1 ZINC000902159139 620989564 /nfs/dbraw/zinc/98/95/64/620989564.db2.gz WEGKPMBSTAKHIH-UHFFFAOYSA-N 0 1 280.335 2.572 20 30 CFEDMN Cc1cn[nH]c1CSCCOc1cccc(C#N)c1 ZINC000902303436 621027289 /nfs/dbraw/zinc/02/72/89/621027289.db2.gz IFJYVQADFGJGNI-UHFFFAOYSA-N 0 1 273.361 2.902 20 30 CFEDMN C=CC[C@H]1CCCN(CN2Cc3ccccc3C2=O)C1 ZINC000902313020 621030227 /nfs/dbraw/zinc/03/02/27/621030227.db2.gz NVAFAPSMWTXIBL-AWEZNQCLSA-N 0 1 270.376 2.888 20 30 CFEDMN C=CCOc1ccc(C[N@@H+]2C[C@@H](C)[C@H](CC(=O)[O-])C2)cc1 ZINC000902555962 621121043 /nfs/dbraw/zinc/12/10/43/621121043.db2.gz NWJKADDJVNLNIS-UKRRQHHQSA-N 0 1 289.375 2.794 20 30 CFEDMN C=CCCCN(CC)CN1C(=O)C(C)(C)[C@H]1[C@H]1CCCO1 ZINC000902669995 621148670 /nfs/dbraw/zinc/14/86/70/621148670.db2.gz WLGHBHXAMDNDSF-HUUCEWRRSA-N 0 1 294.439 2.648 20 30 CFEDMN C[C@H](NC[C@@H](c1ccccc1)[NH+](C)C)c1cc(C#N)ccn1 ZINC000902724874 621158335 /nfs/dbraw/zinc/15/83/35/621158335.db2.gz KYHPDNZDTDJEOB-KSSFIOAISA-N 0 1 294.402 2.907 20 30 CFEDMN COCc1cccc(CN[C@H](C)c2cc(C#N)ccn2)c1 ZINC000902748355 621164043 /nfs/dbraw/zinc/16/40/43/621164043.db2.gz LIFQPCNNCPTJNZ-CYBMUJFWSA-N 0 1 281.359 2.950 20 30 CFEDMN CO[C@@H](CN[C@H](C)c1cc(C#N)ccn1)c1ccccc1 ZINC000902758104 621166362 /nfs/dbraw/zinc/16/63/62/621166362.db2.gz CNMUWVDSDDXLRD-DYVFJYSZSA-N 0 1 281.359 2.992 20 30 CFEDMN C[C@@H](NCCOC1CCCC1)c1cc(C#N)ccn1 ZINC000902776093 621171339 /nfs/dbraw/zinc/17/13/39/621171339.db2.gz GCQBQQOVJMRKBO-GFCCVEGCSA-N 0 1 259.353 2.563 20 30 CFEDMN C[C@H]1C[C@@H](NCC2(C#N)CC2)c2c1c(F)ccc2O ZINC000903106026 621254822 /nfs/dbraw/zinc/25/48/22/621254822.db2.gz LKECTSKEMZQRDZ-GXSJLCMTSA-N 0 1 260.312 2.973 20 30 CFEDMN CC(C)[N@@H+](CC(=O)[O-])Cc1cc(Cl)cc(C#N)c1 ZINC000903404487 621360880 /nfs/dbraw/zinc/36/08/80/621360880.db2.gz HPFFVKOPEGPLON-UHFFFAOYSA-N 0 1 266.728 2.507 20 30 CFEDMN C[C@@H]1CC[C@@H](C(=O)[O-])C[N@H+]1CC1CCC(C#N)CC1 ZINC000903406939 621362702 /nfs/dbraw/zinc/36/27/02/621362702.db2.gz AVEUZRAMDWJPOH-BLYZHGLHSA-N 0 1 264.369 2.501 20 30 CFEDMN N#CC1(CCCC[N@H+](CC(=O)[O-])CC2CC2)CCC1 ZINC000903702470 621421794 /nfs/dbraw/zinc/42/17/94/621421794.db2.gz CQJFBSCBQARKPD-UHFFFAOYSA-N 0 1 264.369 2.647 20 30 CFEDMN CC(C)(C#N)C[C@H](O)CNCc1nsc2ccccc12 ZINC000905457273 621776797 /nfs/dbraw/zinc/77/67/97/621776797.db2.gz ACEONLVUXGNENL-NSHDSACASA-N 0 1 289.404 2.687 20 30 CFEDMN CCOCc1nc(C)cc(NN=Cc2ccccc2F)n1 ZINC000905505606 621783217 /nfs/dbraw/zinc/78/32/17/621783217.db2.gz BLAHCCHGUMKXRG-UHFFFAOYSA-N 0 1 288.326 2.907 20 30 CFEDMN C=CCn1c([C@@H](C)CC)nnc1N1CCN(C)C(C)(C)C1 ZINC000908664169 622257199 /nfs/dbraw/zinc/25/71/99/622257199.db2.gz CWQMLUWWRLHRAJ-ZDUSSCGKSA-N 0 1 291.443 2.508 20 30 CFEDMN C=CCC1(NC(=O)c2cncc3nc[nH]c32)CCCCC1 ZINC000909222971 622328524 /nfs/dbraw/zinc/32/85/24/622328524.db2.gz KYGPMEMLAIBKJQ-UHFFFAOYSA-N 0 1 284.363 2.967 20 30 CFEDMN C[C@H](CC(C)(C)C#N)NCC(=O)N1CCCc2ccccc21 ZINC000924828904 622396677 /nfs/dbraw/zinc/39/66/77/622396677.db2.gz LYKPSFVFNDXSNX-CQSZACIVSA-N 0 1 299.418 2.884 20 30 CFEDMN CC#CC(=O)N1CCc2nc[nH]c2[C@H]1c1ccc(Cl)cc1 ZINC000911246329 622514737 /nfs/dbraw/zinc/51/47/37/622514737.db2.gz FKFNYDBIJMXUDQ-MRXNPFEDSA-N 0 1 299.761 2.561 20 30 CFEDMN C=C[C@H](C)ONC(=O)Cc1sc(CCCC)nc1C ZINC000911902931 622578918 /nfs/dbraw/zinc/57/89/18/622578918.db2.gz JFSVSMQIHOUZIV-JTQLQIEISA-N 0 1 282.409 2.959 20 30 CFEDMN C[C@@H]1CCCC[C@@H]1C(=O)[C@H](C#N)C(=O)NC1CCCCC1 ZINC000819945541 622579448 /nfs/dbraw/zinc/57/94/48/622579448.db2.gz UZBSWFXWYRHIAW-SNPRPXQTSA-N 0 1 290.407 2.970 20 30 CFEDMN C[C@@H]1CCCC[C@H]1C(=O)C(C#N)C(=O)NCc1ccccc1 ZINC000819944711 622579735 /nfs/dbraw/zinc/57/97/35/622579735.db2.gz OUELAZJJYPETEX-FVQBIDKESA-N 0 1 298.386 2.838 20 30 CFEDMN C#CCNCC(=O)N(CCC)[C@H](CC)c1ccccc1 ZINC000912475651 622724507 /nfs/dbraw/zinc/72/45/07/622724507.db2.gz SYNCBZLISKDLBD-MRXNPFEDSA-N 0 1 272.392 2.599 20 30 CFEDMN C=CC[C@H](C(=O)N1CC[C@@H](N2CCC2)C1)c1ccccc1 ZINC000912911110 622793871 /nfs/dbraw/zinc/79/38/71/622793871.db2.gz ZDKFHAKXLOLNMA-SJORKVTESA-N 0 1 284.403 2.653 20 30 CFEDMN Fc1cccc2c1SCCC2N=Nc1cnccn1 ZINC000912962625 622805574 /nfs/dbraw/zinc/80/55/74/622805574.db2.gz VYBXXDUJCAGEHT-UHFFFAOYSA-N 0 1 274.324 2.928 20 30 CFEDMN Cc1oc(-c2ccccc2)cc1C(=O)NCC#CCN(C)C ZINC000913524132 622910044 /nfs/dbraw/zinc/91/00/44/622910044.db2.gz AOAIETQRYTXCOU-UHFFFAOYSA-N 0 1 296.370 2.550 20 30 CFEDMN COc1cc(C)cc(CN(CCC#N)CC2CC2)c1O ZINC000164289758 622948555 /nfs/dbraw/zinc/94/85/55/622948555.db2.gz MDUJAONWHSBZDW-UHFFFAOYSA-N 0 1 274.364 2.835 20 30 CFEDMN C=CCc1cc(CN2CCO[C@@H](C)[C@H]2C)c(O)c(OC)c1 ZINC000164514451 622957362 /nfs/dbraw/zinc/95/73/62/622957362.db2.gz FMERKMANNOZEEN-OLZOCXBDSA-N 0 1 291.391 2.739 20 30 CFEDMN N#Cc1cccc(C[N@H+]2[C@H](C(=O)[O-])C[C@H]3CCCC[C@@H]32)c1 ZINC000227221015 623100849 /nfs/dbraw/zinc/10/08/49/623100849.db2.gz DVEOLIVECKCMQP-PMPSAXMXSA-N 0 1 284.359 2.776 20 30 CFEDMN C=CCNC(=O)C(C#N)C(=O)[C@H](CC)CC1CCCC1 ZINC000842289492 623111116 /nfs/dbraw/zinc/11/11/16/623111116.db2.gz QKQQRLZXXAEKGS-ZIAGYGMSSA-N 0 1 276.380 2.604 20 30 CFEDMN N#Cc1ccc(CNC[C@H](O)c2ccsc2)c(F)c1 ZINC000227597886 623113957 /nfs/dbraw/zinc/11/39/57/623113957.db2.gz HGYOSTCMSZWXRT-AWEZNQCLSA-N 0 1 276.336 2.582 20 30 CFEDMN CS[C@H](C)C(=O)C(C#N)c1nc2ccccc2o1 ZINC000171403000 623221051 /nfs/dbraw/zinc/22/10/51/623221051.db2.gz RNZADUBUPPCQGK-RKDXNWHRSA-N 0 1 260.318 2.756 20 30 CFEDMN N#CCOc1ccc(CNCc2cnn3ccccc23)cc1 ZINC000171769070 623242420 /nfs/dbraw/zinc/24/24/20/623242420.db2.gz HXKAMVFMHIDJNA-UHFFFAOYSA-N 0 1 292.342 2.526 20 30 CFEDMN C#CCCCNC(=O)[C@H](c1ccccc1)N(CC)CC ZINC000172936244 623321816 /nfs/dbraw/zinc/32/18/16/623321816.db2.gz HWLBYLMSMRFEAZ-INIZCTEOSA-N 0 1 272.392 2.599 20 30 CFEDMN CCOC(=O)c1cc(CNCc2ccc(C#N)cc2)[nH]c1C ZINC000823666762 623373594 /nfs/dbraw/zinc/37/35/94/623373594.db2.gz RALMCQNVIXBAFA-UHFFFAOYSA-N 0 1 297.358 2.661 20 30 CFEDMN COc1cccc(NC(=O)C(C#N)C(=O)CC2CCC2)c1 ZINC000173959896 623376424 /nfs/dbraw/zinc/37/64/24/623376424.db2.gz DWZLTMDFELQVQY-AWEZNQCLSA-N 0 1 286.331 2.533 20 30 CFEDMN COc1ccc(CNCc2ccc(Cl)nc2)cc1C#N ZINC000174281087 623406108 /nfs/dbraw/zinc/40/61/08/623406108.db2.gz DJHHZQOXRDHSSZ-UHFFFAOYSA-N 0 1 287.750 2.905 20 30 CFEDMN C=C1CCC(C(=O)N[C@@]23CCC[C@H]2N(CCF)CC3)CC1 ZINC000992152816 623470412 /nfs/dbraw/zinc/47/04/12/623470412.db2.gz NIWIXGQCAZFQFN-NVXWUHKLSA-N 0 1 294.414 2.816 20 30 CFEDMN Cc1ccc(C#N)cc1C(=O)N1CCN(C)[C@H](C(C)(C)C)C1 ZINC000824222061 623471594 /nfs/dbraw/zinc/47/15/94/623471594.db2.gz RUSAQKLSFOUYGC-INIZCTEOSA-N 0 1 299.418 2.669 20 30 CFEDMN C=CC[N@H+]1CC[C@]2(NC(=O)[C@@H]3C[C@H]3CCC)CCC[C@H]12 ZINC000992157397 623472478 /nfs/dbraw/zinc/47/24/78/623472478.db2.gz AIKRPDZBILVJDY-PNBKFKSVSA-N 0 1 276.424 2.722 20 30 CFEDMN C=CCCCC[C@H](C)N[C@@H](C)c1nnnn1C1CC1 ZINC000824281766 623482483 /nfs/dbraw/zinc/48/24/83/623482483.db2.gz JSRATDOFFQUTOB-RYUDHWBXSA-N 0 1 263.389 2.794 20 30 CFEDMN C[C@H](CC(=O)Nc1cccc(F)c1)NCC(C)(C)C#N ZINC000757907642 623495501 /nfs/dbraw/zinc/49/55/01/623495501.db2.gz WPXVIACPVSKDOL-LLVKDONJSA-N 0 1 277.343 2.682 20 30 CFEDMN C=CCCCCC[C@H](C)N[C@H](C(N)=O)c1ccccn1 ZINC000824517417 623515512 /nfs/dbraw/zinc/51/55/12/623515512.db2.gz UPQDSEBZHYSOBM-ZFWWWQNUSA-N 0 1 275.396 2.723 20 30 CFEDMN C#CCN1CCC(NC(=O)N[C@H](C)CCCCCC)CC1 ZINC000913850786 623620170 /nfs/dbraw/zinc/62/01/70/623620170.db2.gz RLCSLAYXONYXNR-OAHLLOKOSA-N 0 1 293.455 2.742 20 30 CFEDMN C#Cc1cccc(CNCc2ccnn2C(C)C)c1 ZINC000825227089 623654262 /nfs/dbraw/zinc/65/42/62/623654262.db2.gz PYYOMUAFFGCRNK-UHFFFAOYSA-N 0 1 253.349 2.735 20 30 CFEDMN CC1(C)CCCC[C@H]1CC(=O)[C@H](C#N)C(=O)NC1CC1 ZINC000152347929 623682485 /nfs/dbraw/zinc/68/24/85/623682485.db2.gz ZIZMZJVPARPABI-AAEUAGOBSA-N 0 1 276.380 2.580 20 30 CFEDMN CC(C)NC(=O)[C@@H](C#N)C(=O)C[C@@H]1CCCCC1(C)C ZINC000152371757 623689240 /nfs/dbraw/zinc/68/92/40/623689240.db2.gz PRUAVISMKHBFOM-STQMWFEESA-N 0 1 278.396 2.826 20 30 CFEDMN CCN(C(=O)c1cccc2[nH]c(C(F)F)nc21)[C@H](C)C#N ZINC000825635687 623728038 /nfs/dbraw/zinc/72/80/38/623728038.db2.gz SJOUYYCUIDSEFV-MRVPVSSYSA-N 0 1 292.289 2.875 20 30 CFEDMN CCN(C(=O)c1ccc(CN2CCCCC2)o1)[C@@H](C)C#N ZINC000825635161 623728271 /nfs/dbraw/zinc/72/82/71/623728271.db2.gz MDFPHWIFVDHYJU-ZDUSSCGKSA-N 0 1 289.379 2.640 20 30 CFEDMN C#C[C@@H](CC)NCc1cccc(F)c1OC(F)F ZINC000825878502 623764669 /nfs/dbraw/zinc/76/46/69/623764669.db2.gz PQCYIBLOVVBKTB-JTQLQIEISA-N 0 1 257.255 2.929 20 30 CFEDMN C#C[C@H](N[C@H](C)[C@@H]1C[C@@H]1C(=O)OC)c1ccc(Cl)cc1 ZINC000825948947 623774259 /nfs/dbraw/zinc/77/42/59/623774259.db2.gz NFLKOVLTPDPHSR-KJEVXHAQSA-N 0 1 291.778 2.802 20 30 CFEDMN C=CCC[C@@H](CO)[NH2+]Cc1cc(Cl)c(C)cc1[O-] ZINC000826096895 623792833 /nfs/dbraw/zinc/79/28/33/623792833.db2.gz HRLVSMCPUXXIJN-LBPRGKRZSA-N 0 1 269.772 2.771 20 30 CFEDMN C=C(C)C[N@@H+]1CCC[C@H](NC(=O)c2ccc(C)o2)[C@@H]1C ZINC000993006750 623840732 /nfs/dbraw/zinc/84/07/32/623840732.db2.gz VBOOSHNOVQDBTL-KBPBESRZSA-N 0 1 276.380 2.747 20 30 CFEDMN C=C(C)CN1CCC[C@H](NC(=O)c2ccc(C)o2)[C@@H]1C ZINC000993006750 623840742 /nfs/dbraw/zinc/84/07/42/623840742.db2.gz VBOOSHNOVQDBTL-KBPBESRZSA-N 0 1 276.380 2.747 20 30 CFEDMN C=C(C)CN1CCC[C@@H](NC(=O)c2ccoc2C)[C@H]1C ZINC000993013349 623842107 /nfs/dbraw/zinc/84/21/07/623842107.db2.gz LYRFGFQAHKGDBQ-IUODEOHRSA-N 0 1 276.380 2.747 20 30 CFEDMN CC(C)[C@@H]1CC[N@H+]([C@@H](C(=O)[O-])c2ccc(C#N)cc2)C1 ZINC000826735198 623861753 /nfs/dbraw/zinc/86/17/53/623861753.db2.gz AVUBJPLGDNPMFE-HUUCEWRRSA-N 0 1 272.348 2.662 20 30 CFEDMN CC(C)[C@H]1CC[N@H+]([C@@H](C(=O)[O-])c2ccc(C#N)cc2)C1 ZINC000826735199 623862170 /nfs/dbraw/zinc/86/21/70/623862170.db2.gz AVUBJPLGDNPMFE-LSDHHAIUSA-N 0 1 272.348 2.662 20 30 CFEDMN C=CCN1CCC[C@H](NC(=O)c2cc(C)oc2C)[C@@H]1C ZINC000993049120 623869222 /nfs/dbraw/zinc/86/92/22/623869222.db2.gz PSAZCPGOEJKUPC-WFASDCNBSA-N 0 1 276.380 2.665 20 30 CFEDMN CC(C)C(=O)N[C@@H]1CCCN(Cc2cccc(C#N)c2)[C@H]1C ZINC000993067314 623882929 /nfs/dbraw/zinc/88/29/29/623882929.db2.gz IAHJUPCCQRFKPK-WMLDXEAASA-N 0 1 299.418 2.683 20 30 CFEDMN C[C@@H](NN=C1CCCc2nc(N)ccc21)C(C)(C)C ZINC000834981694 623918010 /nfs/dbraw/zinc/91/80/10/623918010.db2.gz WPGMGKDQQRKKJJ-SNVBAGLBSA-N 0 1 260.385 2.728 20 30 CFEDMN C#CCN1CCC[C@H](NC(=O)C2CCCCCC2)[C@@H]1C ZINC000993115985 623922066 /nfs/dbraw/zinc/92/20/66/623922066.db2.gz DJRJWYQZEDJOPI-HOCLYGCPSA-N 0 1 276.424 2.559 20 30 CFEDMN C=CCON=Cc1c(Cl)cccc1N1CCN(C)CC1 ZINC000835016285 623935763 /nfs/dbraw/zinc/93/57/63/623935763.db2.gz SBMRTSOGQRJXNT-UHFFFAOYSA-N 0 1 293.798 2.628 20 30 CFEDMN CCN(C)c1ccc(C(C)=NOC[C@H]2CCOC2)cc1 ZINC000788031765 623950955 /nfs/dbraw/zinc/95/09/55/623950955.db2.gz IMEKTYJIXAEHRQ-AWEZNQCLSA-N 0 1 276.380 2.920 20 30 CFEDMN C=CCN1CCC[C@@H](NC(=O)c2cscc2C)[C@@H]1C ZINC000993166937 623972391 /nfs/dbraw/zinc/97/23/91/623972391.db2.gz DMDXZFBAHRDVLQ-GXTWGEPZSA-N 0 1 278.421 2.825 20 30 CFEDMN CC#CCN1CCC[C@@H](NC(=O)C2C(C)(C)C2(C)C)[C@H]1C ZINC000993178975 623982913 /nfs/dbraw/zinc/98/29/13/623982913.db2.gz GMUMSEDPTFDPDY-ZIAGYGMSSA-N 0 1 290.451 2.661 20 30 CFEDMN C=CC(C)(C)COC(=O)[C@@]1(F)CCN(C(C)(C)C)C1 ZINC000835722134 624025322 /nfs/dbraw/zinc/02/53/22/624025322.db2.gz OUDZFWIYKFZMKG-OAHLLOKOSA-N 0 1 271.376 2.954 20 30 CFEDMN CC(C)c1ccc([C@H](C)CC(=O)N[C@@H]2CNC[C@@H]2C#N)cc1 ZINC000834490688 625693261 /nfs/dbraw/zinc/69/32/61/625693261.db2.gz WSANPGZNJLMPDL-XOKHGSTOSA-N 0 1 299.418 2.531 20 30 CFEDMN C#C[C@@H](NCc1ccsc1Cl)C1CCOCC1 ZINC000827559828 624030871 /nfs/dbraw/zinc/03/08/71/624030871.db2.gz JRLXABVPCHFMIO-GFCCVEGCSA-N 0 1 269.797 2.920 20 30 CFEDMN C=C(C)C[N@@H+]1CCC[C@H](NC(=O)c2csnc2C)[C@H]1C ZINC000993217081 624044624 /nfs/dbraw/zinc/04/46/24/624044624.db2.gz HLYGGERJKZYZTQ-OCCSQVGLSA-N 0 1 293.436 2.610 20 30 CFEDMN C=C(C)CN1CCC[C@H](NC(=O)c2csnc2C)[C@H]1C ZINC000993217081 624044633 /nfs/dbraw/zinc/04/46/33/624044633.db2.gz HLYGGERJKZYZTQ-OCCSQVGLSA-N 0 1 293.436 2.610 20 30 CFEDMN C=CCN1CCC[C@H](NC(=O)C(F)=C2CCCC2)[C@@H]1C ZINC000993221764 624050095 /nfs/dbraw/zinc/05/00/95/624050095.db2.gz AJHDRLWEYUTXIO-JSGCOSHPSA-N 0 1 280.387 2.939 20 30 CFEDMN C=CCN1CCC[C@@H](NC(=O)c2ccsc2C)[C@@H]1C ZINC000993323053 624096961 /nfs/dbraw/zinc/09/69/61/624096961.db2.gz FDDQXFWFWDSYJR-SMDDNHRTSA-N 0 1 278.421 2.825 20 30 CFEDMN CC#CCN1CCC[C@@H](NC(=O)C23CCC(CC2)C3)[C@H]1C ZINC000993479719 624145941 /nfs/dbraw/zinc/14/59/41/624145941.db2.gz BEKBCTHJTGPAHH-JBCIKUTRSA-N 0 1 288.435 2.559 20 30 CFEDMN C=CCN1CCC[C@H](NC(=O)c2cc(F)ccc2F)[C@H]1C ZINC000993453555 624146099 /nfs/dbraw/zinc/14/60/99/624146099.db2.gz ZHRLMVIPZINYIN-ABAIWWIYSA-N 0 1 294.345 2.734 20 30 CFEDMN C=CCN1CCC[C@H](NC(=O)C(C)(C)C2CCC2)[C@H]1C ZINC000993631525 624156853 /nfs/dbraw/zinc/15/68/53/624156853.db2.gz IMCBONDKUOIQSS-HIFRSBDPSA-N 0 1 278.440 2.968 20 30 CFEDMN CC#CCN1CCC[C@@H](NC(=O)C2CC3(CCC3)C2)[C@H]1C ZINC000993699362 624162403 /nfs/dbraw/zinc/16/24/03/624162403.db2.gz CNAZMPXTYKQYNR-GDBMZVCRSA-N 0 1 288.435 2.559 20 30 CFEDMN CC#CCN1CCC[C@H](NC(=O)C2CC3(CCC3)C2)[C@@H]1C ZINC000993699376 624162476 /nfs/dbraw/zinc/16/24/76/624162476.db2.gz CNAZMPXTYKQYNR-HOCLYGCPSA-N 0 1 288.435 2.559 20 30 CFEDMN C=CCN1CCC[C@H](NC(=O)c2ccn(CC)c2C)[C@H]1C ZINC000993703774 624163171 /nfs/dbraw/zinc/16/31/71/624163171.db2.gz NCCYDFVXWOQLHU-ZBFHGGJFSA-N 0 1 289.423 2.585 20 30 CFEDMN C#CCN1CCC[C@@H](NC(=O)c2ccc(CCC)cc2)[C@@H]1C ZINC000993729821 624166156 /nfs/dbraw/zinc/16/61/56/624166156.db2.gz QJKURSXOKNPRSF-MAUKXSAKSA-N 0 1 298.430 2.855 20 30 CFEDMN C#CCCN1CCC[C@@H](NC(=O)c2occc2Cl)[C@@H]1C ZINC000993782546 624167526 /nfs/dbraw/zinc/16/75/26/624167526.db2.gz ZVACPZWSYHRBPA-WCQYABFASA-N 0 1 294.782 2.539 20 30 CFEDMN C=CCN1CCC[C@@H](NC(=O)c2occc2Cl)[C@H]1C ZINC000993769599 624167849 /nfs/dbraw/zinc/16/78/49/624167849.db2.gz DGSBODBIDGSZIM-ZYHUDNBSSA-N 0 1 282.771 2.702 20 30 CFEDMN C#CCN1CCC[C@@H](NC(=O)CC2CCCCCC2)[C@@H]1C ZINC000993885414 624172577 /nfs/dbraw/zinc/17/25/77/624172577.db2.gz IADKMHMBQFSZIW-DOTOQJQBSA-N 0 1 290.451 2.949 20 30 CFEDMN C=CCN1CCC[C@H](NC(=O)c2cc(C(C)C)no2)[C@H]1C ZINC000993931134 624173957 /nfs/dbraw/zinc/17/39/57/624173957.db2.gz RYZSTOBMSYIGCK-OLZOCXBDSA-N 0 1 291.395 2.567 20 30 CFEDMN C=CCN1CCC[C@@H](NC(=O)c2csc(Cl)n2)[C@@H]1C ZINC000994170972 624181328 /nfs/dbraw/zinc/18/13/28/624181328.db2.gz VKTQSWGHDBJYGV-VHSXEESVSA-N 0 1 299.827 2.565 20 30 CFEDMN C=CCN1CCC[C@@H](NC(=O)c2ncoc2C(C)C)[C@H]1C ZINC000994168008 624181833 /nfs/dbraw/zinc/18/18/33/624181833.db2.gz NGSWTEXVFUYCOP-CHWSQXEVSA-N 0 1 291.395 2.567 20 30 CFEDMN Cc1cc(O)cc2c1C(=O)C(=NNc1ccccc1)O2 ZINC000915933190 624193638 /nfs/dbraw/zinc/19/36/38/624193638.db2.gz NCAXSMNCEXSWAJ-UHFFFAOYSA-N 0 1 268.272 2.701 20 30 CFEDMN Cc1cc(N=NCc2ccc(C)c([N+](=O)[O-])c2)nc(C)n1 ZINC000915968208 624195999 /nfs/dbraw/zinc/19/59/99/624195999.db2.gz RBBNXBBRKJKMCN-UHFFFAOYSA-N 0 1 285.307 2.756 20 30 CFEDMN CCCCNN=Cc1cnc(N(CC)CC)s1 ZINC000915969548 624197388 /nfs/dbraw/zinc/19/73/88/624197388.db2.gz MNNADZZUZUNTSS-UHFFFAOYSA-N 0 1 254.403 2.713 20 30 CFEDMN CC(=NNc1ccc(-n2cccn2)nn1)c1cc(C)oc1C ZINC000915971645 624198899 /nfs/dbraw/zinc/19/88/99/624198899.db2.gz GMGUPJXNHKHUIO-UHFFFAOYSA-N 0 1 296.334 2.708 20 30 CFEDMN c1cnc2cccc(N=NC3CN4CCC3CC4)c2c1 ZINC000915963820 624203480 /nfs/dbraw/zinc/20/34/80/624203480.db2.gz MTNKMPIGPKJMHO-UHFFFAOYSA-N 0 1 266.348 2.728 20 30 CFEDMN C=C[C@@H](CC)CC(=O)Nc1nc2ccc(C#N)cc2[nH]1 ZINC000828261464 624215677 /nfs/dbraw/zinc/21/56/77/624215677.db2.gz ODRMSRSWEFHGIR-JTQLQIEISA-N 0 1 268.320 2.975 20 30 CFEDMN CCn1c(SCc2cc(Cl)cc(C#N)c2)n[nH]c1=O ZINC000916098713 624221031 /nfs/dbraw/zinc/22/10/31/624221031.db2.gz ODELVWABMJCYPF-UHFFFAOYSA-N 0 1 294.767 2.821 20 30 CFEDMN C=CCN1CCC[C@H](NC(=O)c2ccc(F)cc2C)[C@@H]1C ZINC000994250692 624229569 /nfs/dbraw/zinc/22/95/69/624229569.db2.gz KSVAYCIMKNAIFJ-BBRMVZONSA-N 0 1 290.382 2.903 20 30 CFEDMN Fc1ccccc1C=Nn1c(=S)[nH]nc1C(F)(F)F ZINC000916305438 624238172 /nfs/dbraw/zinc/23/81/72/624238172.db2.gz RDQMGYMAPLUWMG-UHFFFAOYSA-N 0 1 290.245 2.607 20 30 CFEDMN CC#CC[N@@H+]1CCC[C@H](NC(=O)c2ccc(CC)cc2)[C@@H]1C ZINC000994357010 624278446 /nfs/dbraw/zinc/27/84/46/624278446.db2.gz WXJZXPZFQJAQHV-YJBOKZPZSA-N 0 1 298.430 2.855 20 30 CFEDMN CC#CCN1CCC[C@H](NC(=O)c2ccc(CC)cc2)[C@@H]1C ZINC000994357010 624278447 /nfs/dbraw/zinc/27/84/47/624278447.db2.gz WXJZXPZFQJAQHV-YJBOKZPZSA-N 0 1 298.430 2.855 20 30 CFEDMN COc1cccc(NC(=O)C(C#N)C(=O)CC(C)(C)C)c1 ZINC000916890558 624291103 /nfs/dbraw/zinc/29/11/03/624291103.db2.gz LHPHIUQFLXVPIU-ZDUSSCGKSA-N 0 1 288.347 2.779 20 30 CFEDMN CC(C)NC(=O)[C@H](C#N)C(=O)C[C@H](C)CC(C)(C)C ZINC000916951965 624294683 /nfs/dbraw/zinc/29/46/83/624294683.db2.gz PWTAPWVGOKOZSY-NWDGAFQWSA-N 0 1 266.385 2.682 20 30 CFEDMN C=CCN(Cc1cc(C)c(C(=O)OC)o1)C(C)C ZINC000917068822 624306973 /nfs/dbraw/zinc/30/69/73/624306973.db2.gz DJHHOUNWWDXRAM-UHFFFAOYSA-N 0 1 251.326 2.771 20 30 CFEDMN C=CCN(CC(=O)NC1C2CC3CC(C2)CC1C3)C(C)C ZINC000917070861 624308073 /nfs/dbraw/zinc/30/80/73/624308073.db2.gz IDUCDPWPZLJQHO-UHFFFAOYSA-N 0 1 290.451 2.824 20 30 CFEDMN Cn1c2ccccc2nc1NN=Cc1ccc2c(c1)CCO2 ZINC000917544597 624352664 /nfs/dbraw/zinc/35/26/64/624352664.db2.gz BOTUHFLFVFJDNR-UHFFFAOYSA-N 0 1 292.342 2.954 20 30 CFEDMN O=[N+]([O-])c1cc(C=NNc2nc3ccccc3[nH]2)cs1 ZINC000917533184 624355819 /nfs/dbraw/zinc/35/58/19/624355819.db2.gz AIJUPSZCZWLRLH-UHFFFAOYSA-N 0 1 287.304 2.979 20 30 CFEDMN CCCCCCC[N@H+]1CCC[C@@H](c2n[n-]c(=O)o2)C1 ZINC000829425349 624432317 /nfs/dbraw/zinc/43/23/17/624432317.db2.gz FAKMHKIESIBENU-GFCCVEGCSA-N 0 1 267.373 2.925 20 30 CFEDMN C#CC[C@@H]1CCCN([C@H](C)C(=O)Nc2cccc(C#N)c2)C1 ZINC000829789024 624538145 /nfs/dbraw/zinc/53/81/45/624538145.db2.gz LWUPBKYOCCJPTH-HUUCEWRRSA-N 0 1 295.386 2.621 20 30 CFEDMN C#CC[C@@H]1CCCN(Cc2ccc([N+](=O)[O-])c(F)c2)C1 ZINC000829811100 624550828 /nfs/dbraw/zinc/55/08/28/624550828.db2.gz YAFJGEIECBBGNE-GFCCVEGCSA-N 0 1 276.311 2.969 20 30 CFEDMN C=C(Cl)COC(=O)c1cc(-c2ccc(C)o2)n[nH]1 ZINC000919327001 624558188 /nfs/dbraw/zinc/55/81/88/624558188.db2.gz WCPICALKCUKPCV-UHFFFAOYSA-N 0 1 266.684 2.887 20 30 CFEDMN C#CC1CCN([C@H](C)C(=O)Nc2ccc(CC)cc2)CC1 ZINC000830301774 624703076 /nfs/dbraw/zinc/70/30/76/624703076.db2.gz VLDFLCWNZHHKNM-CQSZACIVSA-N 0 1 284.403 2.921 20 30 CFEDMN C#CC1CCN([C@H](C)C(=O)Nc2c(C)cccc2C)CC1 ZINC000830316372 624706165 /nfs/dbraw/zinc/70/61/65/624706165.db2.gz POBJVFBBVXXIIQ-OAHLLOKOSA-N 0 1 284.403 2.976 20 30 CFEDMN C#CC1CCN([C@H](C)C(=O)Nc2ccc(C)c(F)c2)CC1 ZINC000830316210 624706523 /nfs/dbraw/zinc/70/65/23/624706523.db2.gz ISIULRDQYXVEGW-CYBMUJFWSA-N 0 1 288.366 2.806 20 30 CFEDMN C#CCNC(=O)[C@@H](C)N1CC2(CC=CC2)[C@H]1c1ccccc1 ZINC000830746406 624837546 /nfs/dbraw/zinc/83/75/46/624837546.db2.gz XKRPHJQLCWYTPR-NVXWUHKLSA-N 0 1 294.398 2.518 20 30 CFEDMN N#CC(C(=O)CC1CCCCCC1)C(=O)N1CCCC1 ZINC000175094073 624926620 /nfs/dbraw/zinc/92/66/20/624926620.db2.gz WAWDLRCKWDUTDZ-AWEZNQCLSA-N 0 1 276.380 2.678 20 30 CFEDMN CC(C)(C)OC(=O)N1CC[C@@H](NCCC#N)C12CCCC2 ZINC000831029475 624954295 /nfs/dbraw/zinc/95/42/95/624954295.db2.gz ZGRQOGRVUWVJET-CYBMUJFWSA-N 0 1 293.411 2.812 20 30 CFEDMN N#Cc1ccc(O)c(NC(=O)[C@@H]2OCCc3ccccc32)c1 ZINC000179739405 624976057 /nfs/dbraw/zinc/97/60/57/624976057.db2.gz DKIOSEMBKNUXSB-MRXNPFEDSA-N 0 1 294.310 2.516 20 30 CFEDMN Cn1ncc(C2CCC2)c1C(=O)Nc1cc(C#N)ccc1O ZINC000831272121 624980425 /nfs/dbraw/zinc/98/04/25/624980425.db2.gz QTZVAMFXMZTFSQ-UHFFFAOYSA-N 0 1 296.330 2.517 20 30 CFEDMN COc1cccc(-c2nc(C)c(C(=O)OCCCC#N)[nH]2)c1 ZINC000180380332 625016894 /nfs/dbraw/zinc/01/68/94/625016894.db2.gz QSQKGGJIGFJKCI-UHFFFAOYSA-N 0 1 299.330 2.854 20 30 CFEDMN COC(=O)[C@H](c1ccc(C#N)cc1)N1C[C@@H]2CCCC[C@@H]2C1 ZINC000831618017 625073726 /nfs/dbraw/zinc/07/37/26/625073726.db2.gz OUYRFRJNJNGALU-BBWFWOEESA-N 0 1 298.386 2.894 20 30 CFEDMN CC(C)c1cc([C@@H]2CCCN(C(=O)C(C)(C)C#N)C2)n[nH]1 ZINC000831910953 625174396 /nfs/dbraw/zinc/17/43/96/625174396.db2.gz PHNSFDXLWRXBBY-GFCCVEGCSA-N 0 1 288.395 2.789 20 30 CFEDMN CCCCCNC(=O)C(C#N)C(=O)CC1CCCCC1 ZINC000069911323 625243904 /nfs/dbraw/zinc/24/39/04/625243904.db2.gz GPFBUSSYCYKTGD-AWEZNQCLSA-N 0 1 278.396 2.972 20 30 CFEDMN N#CC(C(=O)CC1CCCC1)C(=O)NCc1ccccc1 ZINC000069952706 625250132 /nfs/dbraw/zinc/25/01/32/625250132.db2.gz LIIRESOXZYYVNW-OAHLLOKOSA-N 0 1 284.359 2.592 20 30 CFEDMN CC(C)C[C@@H](C)CC(=O)[C@@H](C#N)C(=O)NC1CCCC1 ZINC000070033847 625258400 /nfs/dbraw/zinc/25/84/00/625258400.db2.gz BETHONLBGCXWKS-TZMCWYRMSA-N 0 1 278.396 2.826 20 30 CFEDMN CC(C)C#CC(=O)Nc1cc(F)cc(Cl)c1O ZINC000832320068 625278741 /nfs/dbraw/zinc/27/87/41/625278741.db2.gz PENYWHLGHWXPBQ-UHFFFAOYSA-N 0 1 255.676 2.783 20 30 CFEDMN C=CCCON=C(N)c1ccc(N2CCCCC2)cc1 ZINC000072921497 625740337 /nfs/dbraw/zinc/74/03/37/625740337.db2.gz QVZNVCYSWBIBDR-UHFFFAOYSA-N 0 1 273.380 2.890 20 30 CFEDMN C=C(Cl)CN[C@@H]1CN(C(=O)/C(C)=C/C)CC1(C)C ZINC000995618032 625745619 /nfs/dbraw/zinc/74/56/19/625745619.db2.gz KLAIZKGVROWFLT-GCZGVDRJSA-N 0 1 270.804 2.532 20 30 CFEDMN C=C(Cl)CN[C@@H]1CN(C(=O)C2CC(C)C2)CC1(C)C ZINC000995637153 625747445 /nfs/dbraw/zinc/74/74/45/625747445.db2.gz IWKFSAIYBYWGSN-KGPNIALWSA-N 0 1 284.831 2.612 20 30 CFEDMN C=C(Cl)CN[C@H]1CN(C(=O)C(F)=C(C)C)CC1(C)C ZINC000995659194 625766101 /nfs/dbraw/zinc/76/61/01/625766101.db2.gz JOIBDMGGRPVRPZ-NSHDSACASA-N 0 1 288.794 2.829 20 30 CFEDMN CC(C)(C)C#CC(=O)Nc1ccc(-c2nnc[nH]2)cc1F ZINC000834683422 625781817 /nfs/dbraw/zinc/78/18/17/625781817.db2.gz RAYGLRCQSSNKAU-UHFFFAOYSA-N 0 1 286.310 2.599 20 30 CFEDMN C=C(Cl)CN[C@@H]1CN(C(=O)[C@]2(C)C=CCC2)CC1(C)C ZINC000996164708 625881405 /nfs/dbraw/zinc/88/14/05/625881405.db2.gz XJXPVCFMYMRIAF-CZUORRHYSA-N 0 1 296.842 2.922 20 30 CFEDMN C=C(Cl)CN[C@H]1CN(C(=O)C(C)(C)C)CC1(C)C ZINC000996538606 625905456 /nfs/dbraw/zinc/90/54/56/625905456.db2.gz GNOLKZJJTFVVGZ-NSHDSACASA-N 0 1 272.820 2.612 20 30 CFEDMN C#CCOc1ccc(CN[C@@H](C)c2c[nH]nc2C)cc1 ZINC000834893688 625911317 /nfs/dbraw/zinc/91/13/17/625911317.db2.gz WCMIZIKGLJPNMI-LBPRGKRZSA-N 0 1 269.348 2.581 20 30 CFEDMN C#Cc1cccc(CN[C@H](C)c2cc(C)nn2C)c1 ZINC000834903383 625916501 /nfs/dbraw/zinc/91/65/01/625916501.db2.gz PAODNMQERGMWDH-CYBMUJFWSA-N 0 1 253.349 2.561 20 30 CFEDMN C[C@@H]1CC[C@H](C)C(=NNCCN2CCCCC2)C1 ZINC000834943098 625929767 /nfs/dbraw/zinc/92/97/67/625929767.db2.gz PZDNJAABONHIGS-KGLIPLIRSA-N 0 1 251.418 2.874 20 30 CFEDMN COc1cccc(N=NC2CCCc3cc(N)ccc32)n1 ZINC000834972309 625939689 /nfs/dbraw/zinc/93/96/89/625939689.db2.gz AQESBICBUPFTLH-UHFFFAOYSA-N 0 1 282.347 2.825 20 30 CFEDMN C[C@H](COc1ccccc1)NN=C1CCc2cc(N)ccc21 ZINC000834978564 625942316 /nfs/dbraw/zinc/94/23/16/625942316.db2.gz IGRIBVIUXUISAS-CYBMUJFWSA-N 0 1 295.386 2.976 20 30 CFEDMN C[C@H]1CN(C2CC2)CC1N=Nc1cc(C(F)(F)F)ccn1 ZINC000834984000 625945077 /nfs/dbraw/zinc/94/50/77/625945077.db2.gz KFXGZRQOPAMYDP-VIFPVBQESA-N 0 1 298.312 2.982 20 30 CFEDMN CC(C)ON=C1CCN(Cc2ccccn2)C[C@@H]1C ZINC000834999455 625949106 /nfs/dbraw/zinc/94/91/06/625949106.db2.gz BTEVATPOAUGVOQ-ZDUSSCGKSA-N 0 1 261.369 2.704 20 30 CFEDMN CC(=NN=c1cc[nH]cn1)c1nc2c(s1)CCCC2 ZINC000835000509 625950019 /nfs/dbraw/zinc/95/00/19/625950019.db2.gz GHZDCENKZMMHHQ-UHFFFAOYSA-N 0 1 273.365 2.648 20 30 CFEDMN CC1(C)OCC[C@@H]1NN=C1CC[C@@H]2CNc3cccc1c32 ZINC000835020712 625966417 /nfs/dbraw/zinc/96/64/17/625966417.db2.gz JZHXSNOOEUJIAQ-ABAIWWIYSA-N 0 1 285.391 2.851 20 30 CFEDMN C[C@@H](O)c1ccc(CNCc2csc(C#N)c2)cc1 ZINC000921583158 625990983 /nfs/dbraw/zinc/99/09/83/625990983.db2.gz MROHKVVHAAKHCQ-LLVKDONJSA-N 0 1 272.373 2.963 20 30 CFEDMN N#Cc1cc(CN[C@H]2CC(=O)N(c3ccccc3)C2)cs1 ZINC000921600644 625992355 /nfs/dbraw/zinc/99/23/55/625992355.db2.gz ASUHAJQVKPSQDM-ZDUSSCGKSA-N 0 1 297.383 2.515 20 30 CFEDMN CC[C@H](C)NC(=O)[C@H](C)NCc1c(C)cc(C#N)cc1C ZINC000921617978 625995688 /nfs/dbraw/zinc/99/56/88/625995688.db2.gz HGAGEMOIONMFPD-KBPBESRZSA-N 0 1 287.407 2.568 20 30 CFEDMN CC[C@@H](C)NC(=O)[C@H](C)NCc1c(C)cc(C#N)cc1C ZINC000921617985 625995710 /nfs/dbraw/zinc/99/57/10/625995710.db2.gz HGAGEMOIONMFPD-KGLIPLIRSA-N 0 1 287.407 2.568 20 30 CFEDMN C=CCN1CC[C@@H](NC(=O)Cc2cccc3ccccc32)C1 ZINC001016074981 626026961 /nfs/dbraw/zinc/02/69/61/626026961.db2.gz LVBXWLVVNXJMFX-QGZVFWFLSA-N 0 1 294.398 2.759 20 30 CFEDMN C=C(Cl)CN[C@@H]1CCCN(C(=O)c2ccsc2)C1 ZINC000998449315 626051887 /nfs/dbraw/zinc/05/18/87/626051887.db2.gz YHNXYYINBLSTGT-GFCCVEGCSA-N 0 1 284.812 2.695 20 30 CFEDMN C=C(Cl)CN[C@H]1CCCN(C(=O)CCC2CC2)C1 ZINC000998779594 626061400 /nfs/dbraw/zinc/06/14/00/626061400.db2.gz SQOQMCLHIOOIDY-ZDUSSCGKSA-N 0 1 270.804 2.510 20 30 CFEDMN C=C(Cl)CN[C@H]1CCCN(C(=O)[C@H]2[C@@H]3CCCC[C@@H]32)C1 ZINC000998816979 626061617 /nfs/dbraw/zinc/06/16/17/626061617.db2.gz IMAAOIXJPVYLFP-BYNSBNAKSA-N 0 1 296.842 2.756 20 30 CFEDMN C=C(Cl)CN[C@@H]1CCCN(C(=O)c2coc(C)c2)C1 ZINC000999006189 626065480 /nfs/dbraw/zinc/06/54/80/626065480.db2.gz UIOOECXZKARDME-CYBMUJFWSA-N 0 1 282.771 2.535 20 30 CFEDMN C=C(Cl)CN[C@@H]1CCCN(C(=O)c2[nH]c(C)cc2C)C1 ZINC000999522343 626075274 /nfs/dbraw/zinc/07/52/74/626075274.db2.gz SZISMECQKCWDJY-CYBMUJFWSA-N 0 1 295.814 2.578 20 30 CFEDMN C=C(Cl)CN[C@H]1CCCN(C(=O)[C@H]2CCC2(C)C)C1 ZINC000999924941 626084115 /nfs/dbraw/zinc/08/41/15/626084115.db2.gz CMWZMWYGACDUQL-QWHCGFSZSA-N 0 1 284.831 2.756 20 30 CFEDMN C=C(Cl)CN[C@H]1CCCN(C(=O)c2cc(C)co2)C1 ZINC000999962188 626084870 /nfs/dbraw/zinc/08/48/70/626084870.db2.gz YOHNECBAAHXNKW-LBPRGKRZSA-N 0 1 282.771 2.535 20 30 CFEDMN C=CCSCCNCc1c(Cl)n[nH]c1CC ZINC000921689055 626086226 /nfs/dbraw/zinc/08/62/26/626086226.db2.gz PJZOIIJDOKZJRZ-UHFFFAOYSA-N 0 1 259.806 2.634 20 30 CFEDMN C[C@@](CO)(NCc1csc(C#N)c1)c1ccccc1 ZINC000921746481 626105362 /nfs/dbraw/zinc/10/53/62/626105362.db2.gz IKCZMHUVENMGOD-HNNXBMFYSA-N 0 1 272.373 2.617 20 30 CFEDMN C=CC[N@@H+]1CC=C(CNC(=O)[C@@H]2CCC[C@H]2C(F)F)CC1 ZINC001000775327 626131720 /nfs/dbraw/zinc/13/17/20/626131720.db2.gz BQYWWGANUOPZPW-ZIAGYGMSSA-N 0 1 298.377 2.602 20 30 CFEDMN CCc1[nH]ncc1C(=O)Nc1ccc(C2CC2)c(C#N)c1 ZINC000921821169 626147149 /nfs/dbraw/zinc/14/71/49/626147149.db2.gz AFABIOUDBFTJCQ-UHFFFAOYSA-N 0 1 280.331 2.973 20 30 CFEDMN C#CCN1CC=C(CNC(=O)[C@H]2CCCCC2(C)C)CC1 ZINC001001481273 626159595 /nfs/dbraw/zinc/15/95/95/626159595.db2.gz NQDRWHVRQBHBIG-MRXNPFEDSA-N 0 1 288.435 2.584 20 30 CFEDMN C=CCN(Cc1cccs1)C[C@@H]1COC(C)(C)O1 ZINC000851712525 634482693 /nfs/dbraw/zinc/48/26/93/634482693.db2.gz QCZFTCZUPQUQAF-GFCCVEGCSA-N 0 1 267.394 2.888 20 30 CFEDMN CC(C)(C)CNC(=O)C(C)(C)NCc1csc(C#N)c1 ZINC000921914256 626176977 /nfs/dbraw/zinc/17/69/77/626176977.db2.gz IETHOMBURDEQFX-UHFFFAOYSA-N 0 1 293.436 2.650 20 30 CFEDMN C#CC[C@@H](NCc1c2c(nn1C)CCC2)c1ccccc1 ZINC000921935186 626180012 /nfs/dbraw/zinc/18/00/12/626180012.db2.gz JGSQRSKDNMCEGY-MRXNPFEDSA-N 0 1 279.387 2.763 20 30 CFEDMN C=C(C)CN1CC[C@H](NC(=O)C2(c3cccc(C)c3)CC2)C1 ZINC001016343880 626202280 /nfs/dbraw/zinc/20/22/80/626202280.db2.gz AFRHEWROQGHDNP-KRWDZBQOSA-N 0 1 298.430 2.793 20 30 CFEDMN CC#CCN1CCC(NC(=O)[C@H]2CCC[C@H]2CCC)CC1 ZINC001003206903 626223618 /nfs/dbraw/zinc/22/36/18/626223618.db2.gz VBHRCFATEUAQCE-WBVHZDCISA-N 0 1 290.451 2.807 20 30 CFEDMN C=CCN1CC[C@H](NC(=O)C23CC(C(C)(C)C)(C2)C3)C1 ZINC001016376509 626223824 /nfs/dbraw/zinc/22/38/24/626223824.db2.gz XSVFVQALUOJYSP-IGEOTXOUSA-N 0 1 276.424 2.579 20 30 CFEDMN C#CCOc1ccc(CNCc2ccnn2C2CCC2)cc1 ZINC000922163042 626226516 /nfs/dbraw/zinc/22/65/16/626226516.db2.gz JTLVHRNSTVBWNR-UHFFFAOYSA-N 0 1 295.386 2.910 20 30 CFEDMN C#CCOc1ccc(CNCc2cnn(C3CCC3)c2)cc1 ZINC000922164206 626227035 /nfs/dbraw/zinc/22/70/35/626227035.db2.gz RGNDCVPEPBEOQW-UHFFFAOYSA-N 0 1 295.386 2.910 20 30 CFEDMN CC#CCN1CCC(NC(=O)c2ccc(CCC)cc2)CC1 ZINC001003528990 626238126 /nfs/dbraw/zinc/23/81/26/626238126.db2.gz FLDKWTRRRYINIM-UHFFFAOYSA-N 0 1 298.430 2.857 20 30 CFEDMN N#CCc1ccc(CNCc2ccnn2C2CCC2)cc1 ZINC000922208454 626239748 /nfs/dbraw/zinc/23/97/48/626239748.db2.gz RQNGZHAMCNKBIC-UHFFFAOYSA-N 0 1 280.375 2.964 20 30 CFEDMN CC#CCN1CCC(NC(=O)[C@@H]2CCCC[C@@H]2CC)CC1 ZINC001003878565 626263344 /nfs/dbraw/zinc/26/33/44/626263344.db2.gz LUAADQUXYYWPKQ-DOTOQJQBSA-N 0 1 290.451 2.807 20 30 CFEDMN CC#CCN1CCC(NC(=O)[C@H]2C[C@@]2(CC)C(C)C)CC1 ZINC001003877088 626264873 /nfs/dbraw/zinc/26/48/73/626264873.db2.gz GKUDDRFANRDBEJ-AEFFLSMTSA-N 0 1 290.451 2.663 20 30 CFEDMN Cc1ccc(CNCc2c3c(nn2C)CCCC3)cc1C#N ZINC000922759094 626359564 /nfs/dbraw/zinc/35/95/64/626359564.db2.gz CKKARZVUXMMBIN-UHFFFAOYSA-N 0 1 294.402 2.769 20 30 CFEDMN C=C(C)CN1CC[C@@H](NC(=O)c2ccc(C(C)C)nc2)C1 ZINC001014713415 626412181 /nfs/dbraw/zinc/41/21/81/626412181.db2.gz LCLXSYBIQIUHIL-OAHLLOKOSA-N 0 1 287.407 2.585 20 30 CFEDMN C#CCN1CCC(N(C)C(=O)c2sccc2Cl)CC1 ZINC001005430562 626415004 /nfs/dbraw/zinc/41/50/04/626415004.db2.gz ZZJDDXZZUPKNBJ-UHFFFAOYSA-N 0 1 296.823 2.571 20 30 CFEDMN C#CCN1CCC(N(C)C(=O)[C@H]2CCC=CCCC2)CC1 ZINC001005577281 626417701 /nfs/dbraw/zinc/41/77/01/626417701.db2.gz AWVXINSOQINFRE-INIZCTEOSA-N 0 1 288.435 2.679 20 30 CFEDMN CC#CCN1CCC(N(C)C(=O)[C@@H]2CCCC23CC3)CC1 ZINC001005578809 626417785 /nfs/dbraw/zinc/41/77/85/626417785.db2.gz HFBYVQLGVQTZGQ-INIZCTEOSA-N 0 1 288.435 2.513 20 30 CFEDMN CC#CCN1CCC(N(C)C(=O)[C@@H]2C[C@H]2C(C)(C)C)CC1 ZINC001005697960 626419887 /nfs/dbraw/zinc/41/98/87/626419887.db2.gz DCGDQFMUZUKZKN-HZPDHXFCSA-N 0 1 290.451 2.615 20 30 CFEDMN C#CCN(Cc1cc(C)nc(C)n1)C1CCCCC1 ZINC000851738242 634501844 /nfs/dbraw/zinc/50/18/44/634501844.db2.gz YGYRMPMRPCFCKM-UHFFFAOYSA-N 0 1 257.381 2.861 20 30 CFEDMN CC#CCN1CCC(N(C)C(=O)C2(C)CCCC2)CC1 ZINC001005791967 626421212 /nfs/dbraw/zinc/42/12/12/626421212.db2.gz QWSHSXOXKUWGLZ-UHFFFAOYSA-N 0 1 276.424 2.513 20 30 CFEDMN CC#CCN1CCC(N(C)C(=O)[C@@]2(C)CCC[C@H]2C)CC1 ZINC001005952091 626453629 /nfs/dbraw/zinc/45/36/29/626453629.db2.gz ZUXJBMBPTXLXNW-QAPCUYQASA-N 0 1 290.451 2.759 20 30 CFEDMN CO[C@H](CC(C)C)C(=O)C(C#N)c1nc(C)cs1 ZINC000842281061 626481059 /nfs/dbraw/zinc/48/10/59/626481059.db2.gz IJASYDRRJUKKGJ-WDEREUQCSA-N 0 1 266.366 2.689 20 30 CFEDMN C(=NOC1CCCC1)c1ccccc1N1CCOCC1 ZINC000774597745 626481992 /nfs/dbraw/zinc/48/19/92/626481992.db2.gz XWTLQMGZTNFFOZ-UHFFFAOYSA-N 0 1 274.364 2.816 20 30 CFEDMN CC#CCN1CCC(N(C)C(=O)c2ccc(C)cc2)CC1 ZINC001006323786 626482891 /nfs/dbraw/zinc/48/28/91/626482891.db2.gz HXYFYGXBMQVYGZ-UHFFFAOYSA-N 0 1 284.403 2.555 20 30 CFEDMN N#CC(C(=O)[C@H]1CCC(=O)C1)c1cc(C(F)(F)F)ccn1 ZINC000842803222 626487728 /nfs/dbraw/zinc/48/77/28/626487728.db2.gz NUJJFFFEWJESTL-KWQFWETISA-N 0 1 296.248 2.646 20 30 CFEDMN N#CC(C(=O)[C@@H]1CCC(=O)C1)c1cc(C(F)(F)F)ccn1 ZINC000842803223 626487792 /nfs/dbraw/zinc/48/77/92/626487792.db2.gz NUJJFFFEWJESTL-LDYMZIIASA-N 0 1 296.248 2.646 20 30 CFEDMN Cc1cccc2nc([C@@H](C#N)C(=O)[C@@H]3C[C@H]4CC[C@@H]3O4)[nH]c21 ZINC000838805449 626505920 /nfs/dbraw/zinc/50/59/20/626505920.db2.gz JWXAKRCVBPDRKA-NMKXLXIOSA-N 0 1 295.342 2.615 20 30 CFEDMN C#C[C@H](N[C@@H]1C[C@@H](OCC)[C@@H]1SC)c1ccc(F)cc1 ZINC000839111878 626525613 /nfs/dbraw/zinc/52/56/13/626525613.db2.gz ZETHEKIUSFTKIJ-ZJIFWQFVSA-N 0 1 293.407 2.999 20 30 CFEDMN C#Cc1cccc(CNCc2ccc3c(n2)CCC3)c1 ZINC000839128256 626527612 /nfs/dbraw/zinc/52/76/12/626527612.db2.gz VFHXRZJLAIOIGY-UHFFFAOYSA-N 0 1 262.356 2.841 20 30 CFEDMN C[C@@H](C#N)Oc1ccc(CN2CC3(C2)CCCOC3)cc1 ZINC000839137444 626528154 /nfs/dbraw/zinc/52/81/54/626528154.db2.gz FAYGUAGQZRBPLH-AWEZNQCLSA-N 0 1 286.375 2.590 20 30 CFEDMN C[C@@H](C#N)Oc1ccc(CN2CC3(CC(F)C3)C2)cc1 ZINC000839139845 626528233 /nfs/dbraw/zinc/52/82/33/626528233.db2.gz LQRVODHUAFEYCQ-LBPRGKRZSA-N 0 1 274.339 2.911 20 30 CFEDMN Cc1cc(C)nc(N=NC2CCN(Cc3ccccc3)C2)n1 ZINC000839380734 626534733 /nfs/dbraw/zinc/53/47/33/626534733.db2.gz BPYWPUQAHAOTDF-UHFFFAOYSA-N 0 1 295.390 2.767 20 30 CFEDMN C#CC[C@H](NCc1cnc(C)nc1)c1ccccc1 ZINC000756996106 626543151 /nfs/dbraw/zinc/54/31/51/626543151.db2.gz OSLQNCJWLQNSIN-INIZCTEOSA-N 0 1 251.333 2.639 20 30 CFEDMN C#CC[C@H](NCc1c[nH]c(C(=O)OC)c1)c1ccccc1 ZINC000756995881 626543174 /nfs/dbraw/zinc/54/31/74/626543174.db2.gz LDYLGBKHMDXSSC-HNNXBMFYSA-N 0 1 282.343 2.656 20 30 CFEDMN O=C(/C=C\c1cn(-c2ccccc2)nn1)c1ccccc1O ZINC000757474172 626553220 /nfs/dbraw/zinc/55/32/20/626553220.db2.gz KEPBKDGCDDAOGJ-KHPPLWFESA-N 0 1 291.310 2.869 20 30 CFEDMN Cc1c(CNC[C@H](C)C#N)sc2nc(C)nc(C)c12 ZINC000757906135 626567345 /nfs/dbraw/zinc/56/73/45/626567345.db2.gz JNZRGWXAZVIYFA-MRVPVSSYSA-N 0 1 274.393 2.866 20 30 CFEDMN CC[C@@H](C)N(Cc1ccccc1)Cn1cccc(C#N)c1=O ZINC000758196226 626581506 /nfs/dbraw/zinc/58/15/06/626581506.db2.gz JVMIDAPMHNUELN-OAHLLOKOSA-N 0 1 295.386 2.978 20 30 CFEDMN CCC1CCC(N(C)Cn2cccc(C#N)c2=O)CC1 ZINC000758195265 626581669 /nfs/dbraw/zinc/58/16/69/626581669.db2.gz UFKAIGSOTKQGRK-UHFFFAOYSA-N 0 1 273.380 2.578 20 30 CFEDMN Cc1ccn(CN2CCC[C@@H]2C2CCCC2)c(=O)c1C#N ZINC000758199664 626581778 /nfs/dbraw/zinc/58/17/78/626581778.db2.gz RYMYARGULZZEEO-MRXNPFEDSA-N 0 1 285.391 2.641 20 30 CFEDMN CC[C@H](C)[C@@H]1CCCC[N@H+]1Cn1cccc(C#N)c1=O ZINC000758225643 626583833 /nfs/dbraw/zinc/58/38/33/626583833.db2.gz ZHKVBNGEVLBFCU-ZFWWWQNUSA-N 0 1 273.380 2.578 20 30 CFEDMN CC[C@H](C)[C@@H]1CCCCN1Cn1cccc(C#N)c1=O ZINC000758225643 626583837 /nfs/dbraw/zinc/58/38/37/626583837.db2.gz ZHKVBNGEVLBFCU-ZFWWWQNUSA-N 0 1 273.380 2.578 20 30 CFEDMN CCC[C@H](C)[C@@H]1CCCN1Cn1cccc(C#N)c1=O ZINC000758236672 626584298 /nfs/dbraw/zinc/58/42/98/626584298.db2.gz DPXLHPOGEISLGR-ZFWWWQNUSA-N 0 1 273.380 2.578 20 30 CFEDMN C=CCCC[C@H](C)OC(=O)C(C)(C)NC(=O)C(F)(F)F ZINC000759131227 626629674 /nfs/dbraw/zinc/62/96/74/626629674.db2.gz WHQMFEXBVVHMQR-VIFPVBQESA-N 0 1 295.301 2.732 20 30 CFEDMN N#Cc1cccc(OC2CCN(CCOC(F)F)CC2)c1 ZINC000851752402 634513189 /nfs/dbraw/zinc/51/31/89/634513189.db2.gz HQYQQCUBHQPLQJ-UHFFFAOYSA-N 0 1 296.317 2.641 20 30 CFEDMN Cc1cccc(NC(=O)C(C#N)C(=O)CC2(C)CC2)c1 ZINC000759429737 626657699 /nfs/dbraw/zinc/65/76/99/626657699.db2.gz ATURWGFTOWTMRP-CYBMUJFWSA-N 0 1 270.332 2.833 20 30 CFEDMN N#Cc1ccc([O-])c(NC(=O)[C@@H]2CCC[N@H+]2C2CCCC2)c1 ZINC000759720659 626686917 /nfs/dbraw/zinc/68/69/17/626686917.db2.gz QZWZMFHEBADAQM-HNNXBMFYSA-N 0 1 299.374 2.609 20 30 CFEDMN C[C@@]1(CO)CCCN1Cc1cc(Cl)ccc1OCC#N ZINC000759891575 626700190 /nfs/dbraw/zinc/70/01/90/626700190.db2.gz AFIRLFIEGDSWCX-HNNXBMFYSA-N 0 1 294.782 2.589 20 30 CFEDMN N#CC(C(=O)CCc1ccccc1Cl)c1ccncn1 ZINC000760331720 626735019 /nfs/dbraw/zinc/73/50/19/626735019.db2.gz BWDJOYHLPMDRJQ-LBPRGKRZSA-N 0 1 285.734 2.939 20 30 CFEDMN N#CC(C(=O)C=Cc1cccc(F)c1)c1ccncn1 ZINC000760356542 626739009 /nfs/dbraw/zinc/73/90/09/626739009.db2.gz IFMNBTIQFNBPBV-DSYXLKISSA-N 0 1 267.263 2.505 20 30 CFEDMN N#CC(C(=O)C=Cc1ccc2[nH]ccc2c1)c1ccncn1 ZINC000760358470 626739845 /nfs/dbraw/zinc/73/98/45/626739845.db2.gz PHQQOVDKZNHLGX-XBPVQUQDSA-N 0 1 288.310 2.848 20 30 CFEDMN C=C1CCN([C@@H]2CCCN(Cc3ccccc3)C2=O)CC1 ZINC000760834214 626775954 /nfs/dbraw/zinc/77/59/54/626775954.db2.gz NHPFZEUKPBXGSK-QGZVFWFLSA-N 0 1 284.403 2.830 20 30 CFEDMN C#CCOCCN(C)Cc1ccc(Br)s1 ZINC000761109206 626805793 /nfs/dbraw/zinc/80/57/93/626805793.db2.gz OMAZMVMAWOTNDO-UHFFFAOYSA-N 0 1 288.210 2.592 20 30 CFEDMN C=CCCCCCCNC(=O)c1[nH]nc2c1CCC2 ZINC000805219807 626808733 /nfs/dbraw/zinc/80/87/33/626808733.db2.gz XASLZAKNJRBLCM-UHFFFAOYSA-N 0 1 261.369 2.765 20 30 CFEDMN C[C@@H]1CC(N=Nc2cc(F)c(F)c(F)c2)CN1C ZINC000761813295 626860493 /nfs/dbraw/zinc/86/04/93/626860493.db2.gz QTVJIJFZUYSEKA-SSDOTTSWSA-N 0 1 257.259 2.596 20 30 CFEDMN CC(=NNc1ccc(-n2ccnc2)nn1)c1ccsc1 ZINC000761837555 626862918 /nfs/dbraw/zinc/86/29/18/626862918.db2.gz GJJFZDXDOBDZSO-UHFFFAOYSA-N 0 1 284.348 2.560 20 30 CFEDMN CC(N=Nc1cnn(C)c1)c1c(Cl)nc2ccccn21 ZINC000761867359 626867220 /nfs/dbraw/zinc/86/72/20/626867220.db2.gz QKAYFERSSUALEC-UHFFFAOYSA-N 0 1 288.742 2.557 20 30 CFEDMN Cn1cc(N=NCc2cccc(OCCCC#N)c2)cn1 ZINC000761881471 626869275 /nfs/dbraw/zinc/86/92/75/626869275.db2.gz OPOQOBQYFCDXKH-UHFFFAOYSA-N 0 1 283.335 2.549 20 30 CFEDMN C#CCN(C(=O)CN1CCC(C)CC1)C1CCCCC1 ZINC000762122273 626894528 /nfs/dbraw/zinc/89/45/28/626894528.db2.gz VDGUKFVPBYQIMD-UHFFFAOYSA-N 0 1 276.424 2.513 20 30 CFEDMN C=CCN1C(=O)N=NC1S[C@@H]1CCc2ccccc2C1 ZINC000763180232 626968713 /nfs/dbraw/zinc/96/87/13/626968713.db2.gz ITZQKORVKOIICR-CYBMUJFWSA-N 0 1 287.388 2.819 20 30 CFEDMN Cc1nc(-c2ccccc2)ccc1C(=O)NC1=NO[C@H](C)C1 ZINC000763261347 626974466 /nfs/dbraw/zinc/97/44/66/626974466.db2.gz QYSJMRBMAMUHKD-LLVKDONJSA-N 0 1 295.342 2.909 20 30 CFEDMN Fc1cccc2[nH]cc(C=NNC3=N[C@H]4CCCC[C@@H]4N3)c21 ZINC000763369358 626983505 /nfs/dbraw/zinc/98/35/05/626983505.db2.gz GYOZRSKENYRDCN-STQMWFEESA-N 0 1 299.353 2.501 20 30 CFEDMN CC#CCCN1C[C@H](C)N(C(=O)OC(C)(C)C)[C@@H](C)C1 ZINC000764959245 627109517 /nfs/dbraw/zinc/10/95/17/627109517.db2.gz BUSRZSMTURDVOF-KBPBESRZSA-N 0 1 280.412 2.730 20 30 CFEDMN CCCCCCCCNC(=O)CN(C)[C@H]1CCSC1 ZINC000765203485 627122941 /nfs/dbraw/zinc/12/29/41/627122941.db2.gz KUUUBDJENRLRBZ-AWEZNQCLSA-N 0 1 286.485 2.900 20 30 CFEDMN CC#CCCOC(=O)c1ccc(-c2nnc(C3CC3)[nH]2)cc1 ZINC000765488181 627142179 /nfs/dbraw/zinc/14/21/79/627142179.db2.gz VJVUQWOHGZKNSE-UHFFFAOYSA-N 0 1 295.342 2.919 20 30 CFEDMN C=CCC[C@H](C)OC(=O)c1cccc(-c2nnc[nH]2)c1 ZINC000765495781 627142656 /nfs/dbraw/zinc/14/26/56/627142656.db2.gz HGOOEBSATFDMPD-NSHDSACASA-N 0 1 271.320 2.983 20 30 CFEDMN Clc1ccccc1CNN=C1CCN2CCC[C@H]12 ZINC000765572788 627147822 /nfs/dbraw/zinc/14/78/22/627147822.db2.gz TZHZZDUDBXSGQH-CQSZACIVSA-N 0 1 263.772 2.654 20 30 CFEDMN Cc1cc(C(C#N)C(=O)[C@H](C)CC(C)C)nc(C)n1 ZINC000765585508 627148638 /nfs/dbraw/zinc/14/86/38/627148638.db2.gz ADOKXQXBPFSSSP-MFKMUULPSA-N 0 1 259.353 2.952 20 30 CFEDMN Cc1ccc(C=NNc2ncnc3nc[nH]c32)cc1Cl ZINC000766450729 627203937 /nfs/dbraw/zinc/20/39/37/627203937.db2.gz QJLAALCGPVDCCB-UHFFFAOYSA-N 0 1 286.726 2.761 20 30 CFEDMN CC(C)C[C@@H]1CCCN1Cn1cc2c(c(C#N)c1=O)CCC2 ZINC000766620881 627211937 /nfs/dbraw/zinc/21/19/37/627211937.db2.gz YIUYDEOCIMIIBU-HNNXBMFYSA-N 0 1 299.418 2.677 20 30 CFEDMN Cc1cc(NN=Cc2ccn(-c3ccccc3)n2)nc(C)n1 ZINC000766695574 627215422 /nfs/dbraw/zinc/21/54/22/627215422.db2.gz KKXIYZVHOHWAKL-UHFFFAOYSA-N 0 1 292.346 2.725 20 30 CFEDMN C[C@H]1CC(N=Nc2cnccn2)CN(Cc2ccccc2)C1 ZINC000767355637 627244650 /nfs/dbraw/zinc/24/46/50/627244650.db2.gz ILFNBFADFNCAJW-AWEZNQCLSA-N 0 1 295.390 2.787 20 30 CFEDMN C[C@@H](C#N)CN=NC1C[C@@H](C)CN(Cc2ccccc2)C1 ZINC000767388408 627247520 /nfs/dbraw/zinc/24/75/20/627247520.db2.gz SSCJCDNARGWQCF-CABCVRRESA-N 0 1 284.407 2.634 20 30 CFEDMN C#C[C@H](OC(=O)c1[nH]c(-c2ccccc2)nc1C)C1CC1 ZINC000767529828 627258987 /nfs/dbraw/zinc/25/89/87/627258987.db2.gz UTKBETDSDGIYAW-AWEZNQCLSA-N 0 1 280.327 2.954 20 30 CFEDMN C#C[C@@H](CC)OC(=O)c1[nH]c(-c2ccccc2)nc1C ZINC000768042478 627306418 /nfs/dbraw/zinc/30/64/18/627306418.db2.gz VZUIENLDVNUXAM-ZDUSSCGKSA-N 0 1 268.316 2.954 20 30 CFEDMN COc1cc(O)c(CN=Nc2cc(C)ccn2)cc1OC ZINC000768365710 627337036 /nfs/dbraw/zinc/33/70/36/627337036.db2.gz AYQCPCQWANVIOY-UHFFFAOYSA-N 0 1 287.319 2.559 20 30 CFEDMN CC(=NN=Cc1cc(Cl)cc(F)c1O)c1cnccn1 ZINC000768366922 627337212 /nfs/dbraw/zinc/33/72/12/627337212.db2.gz KRMWLBPUYCZCAO-UHFFFAOYSA-N 0 1 292.701 2.818 20 30 CFEDMN Cc1cc(CC(=O)OCCCCC(C)(C)C#N)n[nH]1 ZINC000768744171 627367905 /nfs/dbraw/zinc/36/79/05/627367905.db2.gz HTCCKAZYJZUQMA-UHFFFAOYSA-N 0 1 263.341 2.524 20 30 CFEDMN C#CCN(CC)Cc1ccc(OC)c(OCCC)c1 ZINC000769111498 627403502 /nfs/dbraw/zinc/40/35/02/627403502.db2.gz PMOBCTBCQRWLJQ-UHFFFAOYSA-N 0 1 261.365 2.939 20 30 CFEDMN C#CCOc1ccc(CN2CCOC(C)(C)[C@H]2C)cc1 ZINC000769452333 627440584 /nfs/dbraw/zinc/44/05/84/627440584.db2.gz WNZNMAAMOXTDCB-CQSZACIVSA-N 0 1 273.376 2.698 20 30 CFEDMN C#CCN(Cc1cccc2c1OCO2)C1CCCC1 ZINC000769531504 627452352 /nfs/dbraw/zinc/45/23/52/627452352.db2.gz SQWZJHBJYIVPLL-UHFFFAOYSA-N 0 1 257.333 2.793 20 30 CFEDMN C#CCOc1cccc(NC(=O)c2cn[nH]c2C2CC2)c1 ZINC000769714565 627469389 /nfs/dbraw/zinc/46/93/89/627469389.db2.gz YBHSZVQFQLPJPD-UHFFFAOYSA-N 0 1 281.315 2.551 20 30 CFEDMN c1ccc([C@H]2CCC2=NNCCN2CCCCC2)cc1 ZINC000769780271 627474040 /nfs/dbraw/zinc/47/40/40/627474040.db2.gz LWSLDMNAUABWAN-MRXNPFEDSA-N 0 1 271.408 2.996 20 30 CFEDMN Oc1ccc(Br)c(CN=Nc2ccccn2)c1 ZINC000769798849 627475270 /nfs/dbraw/zinc/47/52/70/627475270.db2.gz ZSRWZAVKMYIHNC-UHFFFAOYSA-N 0 1 292.136 2.996 20 30 CFEDMN CCc1noc(C)c1C(C)N=Nc1ccc([N+](=O)[O-])cn1 ZINC000769797435 627475515 /nfs/dbraw/zinc/47/55/15/627475515.db2.gz UACJCENAGVTYJY-UHFFFAOYSA-N 0 1 289.295 2.685 20 30 CFEDMN Cn1cncc1C=NNc1c(F)cccc1Cl ZINC000769826961 627479789 /nfs/dbraw/zinc/47/97/89/627479789.db2.gz LMQKGFOFLZIQCI-UHFFFAOYSA-N 0 1 252.680 2.659 20 30 CFEDMN N#C[C@@H]1CC[C@H]([NH2+]Cc2cc(Cl)ccc2[O-])C1 ZINC000769944195 627489536 /nfs/dbraw/zinc/48/95/36/627489536.db2.gz LIFVSJHSXKSTSV-SKDRFNHKSA-N 0 1 250.729 2.827 20 30 CFEDMN C#C[C@@H](C)N(C)C[C@@H](O)c1ccc(Cl)cc1Cl ZINC000769960928 627491600 /nfs/dbraw/zinc/49/16/00/627491600.db2.gz FAFYLOWNYWZLOF-NOZJJQNGSA-N 0 1 272.175 2.980 20 30 CFEDMN C[C@@H]1CCCN1CCNc1snc(Cl)c1C#N ZINC000771228387 627586438 /nfs/dbraw/zinc/58/64/38/627586438.db2.gz GQCUYHYVHQFBRH-MRVPVSSYSA-N 0 1 270.789 2.564 20 30 CFEDMN O=C(OCC#Cc1ccc(F)cc1)[C@@H]1CCCc2[nH]ncc21 ZINC000771370697 627599370 /nfs/dbraw/zinc/59/93/70/627599370.db2.gz NWXNGVUCUCFDRA-CQSZACIVSA-N 0 1 298.317 2.564 20 30 CFEDMN Cc1cc2occ(C(=O)N=C3C[C@H](C)ON3)c2cc1C ZINC000771440468 627604249 /nfs/dbraw/zinc/60/42/49/627604249.db2.gz MSMAVNKCNOHCGZ-JTQLQIEISA-N 0 1 272.304 2.902 20 30 CFEDMN C#Cc1ccc(C(=O)Nc2cc(F)cc(Cl)c2O)cn1 ZINC000771510572 627610503 /nfs/dbraw/zinc/61/05/03/627610503.db2.gz LDWJQZVPHDQMOM-UHFFFAOYSA-N 0 1 290.681 2.813 20 30 CFEDMN C#CCN1CCC(C(=O)OCCC(C)(C)CC)CC1 ZINC000772109779 627674198 /nfs/dbraw/zinc/67/41/98/627674198.db2.gz KMWQAMMUZLHZOP-UHFFFAOYSA-N 0 1 265.397 2.701 20 30 CFEDMN C#CCN(CCSc1cccc(OC)c1)C1CC1 ZINC000851937990 634600785 /nfs/dbraw/zinc/60/07/85/634600785.db2.gz GOBLEVGYPQDWIT-UHFFFAOYSA-N 0 1 261.390 2.885 20 30 CFEDMN CCC(=NNCCN1CCCCC1)c1ccc(C#N)cc1 ZINC000773056496 627775658 /nfs/dbraw/zinc/77/56/58/627775658.db2.gz XZDIYIBAACTSAA-UHFFFAOYSA-N 0 1 284.407 2.748 20 30 CFEDMN CC(C)c1nccnc1NN=Cc1cc(F)ccc1O ZINC000773086891 627782085 /nfs/dbraw/zinc/78/20/85/627782085.db2.gz UVNBAFQEGYEWQF-UHFFFAOYSA-N 0 1 274.299 2.891 20 30 CFEDMN C#C[C@H](NCc1cccc(SC)c1)[C@@H]1CCCO1 ZINC000851949771 634604348 /nfs/dbraw/zinc/60/43/48/634604348.db2.gz IYOJRKIJMUKBIL-GJZGRUSLSA-N 0 1 261.390 2.679 20 30 CFEDMN C=C(C)[C@@H](NC[C@@H]1CCC(=O)O1)c1ccc(F)c(F)c1 ZINC000851947322 634604665 /nfs/dbraw/zinc/60/46/65/634604665.db2.gz YYFBQFPKQOIKCZ-XHDPSFHLSA-N 0 1 281.302 2.877 20 30 CFEDMN C=C(CC)CN1CCN(c2ccc(OC)cc2)CC1 ZINC000773410837 627816064 /nfs/dbraw/zinc/81/60/64/627816064.db2.gz WYAKVHUWWGJSJF-UHFFFAOYSA-N 0 1 260.381 2.783 20 30 CFEDMN Cc1cc([N-][NH+]=C2CCCNc3ccccc32)ncn1 ZINC000774384562 627919855 /nfs/dbraw/zinc/91/98/55/627919855.db2.gz IDYMGKMMGKGAPW-UHFFFAOYSA-N 0 1 267.336 2.807 20 30 CFEDMN CCOCCON=C1C[C@H](C)N(Cc2ccccc2)C1 ZINC000774434917 627924982 /nfs/dbraw/zinc/92/49/82/627924982.db2.gz OLXBYWJHWPHTMK-AWEZNQCLSA-N 0 1 276.380 2.690 20 30 CFEDMN FC(F)(F)CCN1CCC(=NOC2CCOCC2)CC1 ZINC000774433781 627925017 /nfs/dbraw/zinc/92/50/17/627925017.db2.gz PYDGWSRBKVOCPA-UHFFFAOYSA-N 0 1 294.317 2.586 20 30 CFEDMN C[C@@H](NC[C@H](C#N)CCC#N)c1ccc(N(C)C)cc1 ZINC000774481104 627931577 /nfs/dbraw/zinc/93/15/77/627931577.db2.gz HPCWYZIAEWBJIV-KGLIPLIRSA-N 0 1 270.380 2.847 20 30 CFEDMN Cc1cc(CN2CCCC[C@@H]2C2OCCO2)ccc1C#N ZINC000774874529 627975589 /nfs/dbraw/zinc/97/55/89/627975589.db2.gz DBZFCHSDMKFQFT-MRXNPFEDSA-N 0 1 286.375 2.594 20 30 CFEDMN CC(C)CO[C@H]1C[C@H](NCc2nc(C#N)cs2)C1(C)C ZINC000810146448 627979848 /nfs/dbraw/zinc/97/98/48/627979848.db2.gz QTKUOTSFGDNHKW-STQMWFEESA-N 0 1 293.436 2.944 20 30 CFEDMN Oc1ccc(C=Nc2nc3ccc(F)cc3[nH]2)c(O)c1O ZINC000775236061 628001791 /nfs/dbraw/zinc/00/17/91/628001791.db2.gz XOOFOJXPZMXZMV-UHFFFAOYSA-N 0 1 287.250 2.569 20 30 CFEDMN C#C[C@H](NCc1ccc(OCCC)cc1)[C@@H]1CCCO1 ZINC000775339967 628011391 /nfs/dbraw/zinc/01/13/91/628011391.db2.gz DZJWFJUTGAMWCR-IRXDYDNUSA-N 0 1 273.376 2.746 20 30 CFEDMN C#C[C@@H](NCc1ccc(C(F)(F)F)cc1)[C@@H]1CCCO1 ZINC000775340073 628011695 /nfs/dbraw/zinc/01/16/95/628011695.db2.gz FVGXQAMIVFZOCP-KGLIPLIRSA-N 0 1 283.293 2.976 20 30 CFEDMN C#C[C@@H](NCc1ccc(Cl)cc1C)[C@@H]1CCCO1 ZINC000775339947 628011779 /nfs/dbraw/zinc/01/17/79/628011779.db2.gz DYQBOZAXWPRUAK-CABCVRRESA-N 0 1 263.768 2.919 20 30 CFEDMN C#C[C@H](NCc1ccc(OCC(C)C)cc1)[C@@H]1CCCO1 ZINC000775339641 628011948 /nfs/dbraw/zinc/01/19/48/628011948.db2.gz CQQLQGHNQVSVMC-ROUUACIJSA-N 0 1 287.403 2.992 20 30 CFEDMN C#C[C@H](NCc1ccc(OC)c(Cl)c1)[C@@H]1CCCO1 ZINC000775341675 628012531 /nfs/dbraw/zinc/01/25/31/628012531.db2.gz MXAVCYRCQVXPRU-ZFWWWQNUSA-N 0 1 279.767 2.619 20 30 CFEDMN C#C[C@H](N[C@@H](C)c1cc(F)cc(F)c1)[C@@H]1CCCO1 ZINC000775572660 628040316 /nfs/dbraw/zinc/04/03/16/628040316.db2.gz STYWUBGTWYZDEE-LKTVYLICSA-N 0 1 265.303 2.796 20 30 CFEDMN C#C[C@H](N[C@@H](C)c1sccc1OC)[C@H]1CCCO1 ZINC000775572270 628040833 /nfs/dbraw/zinc/04/08/33/628040833.db2.gz QLVKLXMDTDVOHR-SDDRHHMPSA-N 0 1 265.378 2.588 20 30 CFEDMN C#C[C@H](N[C@@H](C)c1cc(F)cc(F)c1)[C@H]1CCCO1 ZINC000775572661 628040916 /nfs/dbraw/zinc/04/09/16/628040916.db2.gz STYWUBGTWYZDEE-NZVBXONLSA-N 0 1 265.303 2.796 20 30 CFEDMN C#C[C@H](N[C@H](C)c1ccc2c(c1)COC2)[C@@H]1CCCO1 ZINC000775571969 628040948 /nfs/dbraw/zinc/04/09/48/628040948.db2.gz NJUCQGUFWGZQPO-DQYPLSBCSA-N 0 1 271.360 2.548 20 30 CFEDMN C#C[C@H](N[C@@H]1CCc2c1cccc2F)[C@H]1CCCO1 ZINC000775573285 628041447 /nfs/dbraw/zinc/04/14/47/628041447.db2.gz GOLBHRAQSPYKAA-ARFHVFGLSA-N 0 1 259.324 2.583 20 30 CFEDMN C#C[C@H](N[C@H]1CCCc2ccc(F)cc21)[C@H]1CCCO1 ZINC000775575884 628042372 /nfs/dbraw/zinc/04/23/72/628042372.db2.gz ZZSLVXVVOSCCIS-YESZJQIVSA-N 0 1 273.351 2.974 20 30 CFEDMN C#C[C@H](N[C@@H](C)c1cccc(OC)c1)[C@@H]1CCCO1 ZINC000775574564 628042523 /nfs/dbraw/zinc/04/25/23/628042523.db2.gz QZJAEWOBVDILFT-RCBQFDQVSA-N 0 1 259.349 2.527 20 30 CFEDMN C[C@@H](C#N)CN(C)Cc1cc(Cl)cc(F)c1O ZINC000775655891 628050448 /nfs/dbraw/zinc/05/04/48/628050448.db2.gz MHXHWEZXHXNPEB-QMMMGPOBSA-N 0 1 256.708 2.776 20 30 CFEDMN CCCCC[C@H](CC)C(=O)NC1(C#N)CCN(C)CC1 ZINC000775725318 628059407 /nfs/dbraw/zinc/05/94/07/628059407.db2.gz LBBZFNOVSBSMFY-AWEZNQCLSA-N 0 1 279.428 2.697 20 30 CFEDMN C#C[C@@H](NCCOc1ccc2ccccc2c1)[C@H]1CCCO1 ZINC000775798714 628069748 /nfs/dbraw/zinc/06/97/48/628069748.db2.gz IMVTZSIICGFXFC-RTBURBONSA-N 0 1 295.382 2.989 20 30 CFEDMN C#C[C@H](N[C@@H](CCOC)c1ccccc1)[C@@H]1CCCO1 ZINC000775795255 628069922 /nfs/dbraw/zinc/06/99/22/628069922.db2.gz VRBGEWOQENIMBQ-ULQDDVLXSA-N 0 1 273.376 2.535 20 30 CFEDMN N#CCCN(CCC#N)Cc1cc(Cl)cc(F)c1O ZINC000775962024 628088822 /nfs/dbraw/zinc/08/88/22/628088822.db2.gz DHDYTBYGUQKIOH-UHFFFAOYSA-N 0 1 281.718 2.814 20 30 CFEDMN C=CCNC(=O)C(C#N)C(=O)[C@@H](CC)CCCCC ZINC000776076380 628099245 /nfs/dbraw/zinc/09/92/45/628099245.db2.gz FWFPTOINOBEBRQ-STQMWFEESA-N 0 1 264.369 2.604 20 30 CFEDMN CCc1cc(CN[C@H](C)c2ccc(C#N)cc2)[nH]n1 ZINC000776158639 628108227 /nfs/dbraw/zinc/10/82/27/628108227.db2.gz VDJSAZQHRDYBLZ-LLVKDONJSA-N 0 1 254.337 2.695 20 30 CFEDMN CN(C)c1ccncc1C=[NH+][N-]c1cnc2ccccc2n1 ZINC000776179994 628113085 /nfs/dbraw/zinc/11/30/85/628113085.db2.gz IITQPLWMSNXDSW-UHFFFAOYSA-N 0 1 292.346 2.537 20 30 CFEDMN CN(C)c1ccncc1C=[NH+][N-]c1c(F)cccc1F ZINC000776186379 628113489 /nfs/dbraw/zinc/11/34/89/628113489.db2.gz NCNNGCCYZAASJE-UHFFFAOYSA-N 0 1 276.290 2.872 20 30 CFEDMN COC(=O)c1ccccc1N=NCc1c[nH]c2ncccc12 ZINC000776189562 628114630 /nfs/dbraw/zinc/11/46/30/628114630.db2.gz MDWJLLWNZHUQOX-UHFFFAOYSA-N 0 1 294.314 2.796 20 30 CFEDMN Cc1cccc2nc([C@H](C#N)C(=O)[C@@H]3CCO[C@@H](C)C3)[nH]c21 ZINC000776523336 628156142 /nfs/dbraw/zinc/15/61/42/628156142.db2.gz SGZIOYKBLJZBIO-YNEHKIRRSA-N 0 1 297.358 2.863 20 30 CFEDMN CC(C)(C)OC(=O)N[C@H]1CCCN(CCC(C)(C)C#N)C1 ZINC000776579907 628160205 /nfs/dbraw/zinc/16/02/05/628160205.db2.gz PLVSSUVSWCHQHI-ZDUSSCGKSA-N 0 1 295.427 2.915 20 30 CFEDMN C#CCCN1CCN([C@H](C)c2cc(F)ccc2F)CC1 ZINC000776593595 628162998 /nfs/dbraw/zinc/16/29/98/628162998.db2.gz LSNPJPJMNOKZOH-CYBMUJFWSA-N 0 1 278.346 2.667 20 30 CFEDMN CN(C)c1nccc(N=NCc2cc(F)cc(Cl)c2)n1 ZINC000776730317 628172033 /nfs/dbraw/zinc/17/20/33/628172033.db2.gz RVNPKLTZSTWGFV-UHFFFAOYSA-N 0 1 293.733 2.781 20 30 CFEDMN Cc1cc2ccccc2nc1N=NC1CN(C)C[C@H]1C ZINC000776786636 628177987 /nfs/dbraw/zinc/17/79/87/628177987.db2.gz ZIUORBSIVMWVJY-GFCCVEGCSA-N 0 1 268.364 2.893 20 30 CFEDMN CO[C@H](CN[C@@H](C)c1cccc(C#N)c1)C(F)(F)F ZINC000777013951 628190745 /nfs/dbraw/zinc/19/07/45/628190745.db2.gz YCUHDPHZGFKEKQ-JOYOIKCWSA-N 0 1 272.270 2.786 20 30 CFEDMN Fc1ccc(C=NNc2c(F)cccc2F)cn1 ZINC000777437976 628225317 /nfs/dbraw/zinc/22/53/17/628225317.db2.gz NHPWKLSFJYUAGA-UHFFFAOYSA-N 0 1 251.211 2.945 20 30 CFEDMN FC(F)(F)Oc1ccccc1N=NCc1ncc[nH]1 ZINC000777453540 628226914 /nfs/dbraw/zinc/22/69/14/628226914.db2.gz QDVRJILGFURHGD-UHFFFAOYSA-N 0 1 270.214 2.754 20 30 CFEDMN COC[C@H](C)NN=Cc1cc(Cl)c(O)cc1Cl ZINC000777902657 628263571 /nfs/dbraw/zinc/26/35/71/628263571.db2.gz SEHSOCJHHUQYCN-ZETCQYMHSA-N 0 1 277.151 2.657 20 30 CFEDMN COCc1ccc(C=NNc2cc(Cl)ccn2)o1 ZINC000777905374 628263921 /nfs/dbraw/zinc/26/39/21/628263921.db2.gz ITDDGOHSFFQEHA-UHFFFAOYSA-N 0 1 265.700 2.920 20 30 CFEDMN C#CCOc1cccc(Cl)c1CNC[C@@H](O)[C@H](C)CC ZINC000778170411 628283192 /nfs/dbraw/zinc/28/31/92/628283192.db2.gz PTGGNHPZIOQSDM-IUODEOHRSA-N 0 1 295.810 2.849 20 30 CFEDMN C#CCOc1cccc(Cl)c1CN[C@@H]1C[C@H](O)C1(C)C ZINC000778192572 628285276 /nfs/dbraw/zinc/28/52/76/628285276.db2.gz BQYBBUPCWWDSCW-CABCVRRESA-N 0 1 293.794 2.601 20 30 CFEDMN C#CCN1CCC[C@@H]1COC(=O)[C@@H](CC=C)c1ccccc1 ZINC000778633604 628321222 /nfs/dbraw/zinc/32/12/22/628321222.db2.gz GYKWYOWKTLEKNT-MSOLQXFVSA-N 0 1 297.398 2.987 20 30 CFEDMN C=CCC[C@@H](C(=O)OCCc1c[nH]nn1)c1ccccc1 ZINC000778651152 628322581 /nfs/dbraw/zinc/32/25/81/628322581.db2.gz NYLHGWVNBACWDM-OAHLLOKOSA-N 0 1 285.347 2.640 20 30 CFEDMN C=CCC[C@@H](C(=O)OCCc1cnn[nH]1)c1ccccc1 ZINC000778651152 628322584 /nfs/dbraw/zinc/32/25/84/628322584.db2.gz NYLHGWVNBACWDM-OAHLLOKOSA-N 0 1 285.347 2.640 20 30 CFEDMN C#CC[C@H](OC(=O)[C@H](CC)N(CC)CC)C(C)C ZINC000778663012 628323080 /nfs/dbraw/zinc/32/30/80/628323080.db2.gz GTBPWNAZXSENCH-KBPBESRZSA-N 0 1 253.386 2.698 20 30 CFEDMN C=CCC[C@H](C(=O)OCc1n[nH]c(C)n1)c1ccccc1 ZINC000778677115 628324086 /nfs/dbraw/zinc/32/40/86/628324086.db2.gz DLQPAHONUQUTAA-AWEZNQCLSA-N 0 1 285.347 2.906 20 30 CFEDMN CC(C)(C(=O)OCc1ccc(CC#N)cc1)N1CCCC1 ZINC000805614997 628332777 /nfs/dbraw/zinc/33/27/77/628332777.db2.gz WOTPAUNHUBFPBV-UHFFFAOYSA-N 0 1 286.375 2.670 20 30 CFEDMN C#C[C@](C)(CC)NCC(=O)N1c2ccccc2CC[C@H]1C ZINC000852097082 634650506 /nfs/dbraw/zinc/65/05/06/634650506.db2.gz KVSNHEMUEDTWON-RDTXWAMCSA-N 0 1 284.403 2.746 20 30 CFEDMN C[C@@H](CC(=O)OC(C)(C)C)NCc1cc(C#N)ccc1F ZINC000779414347 628379826 /nfs/dbraw/zinc/37/98/26/628379826.db2.gz XPNYXYYRYKPOHY-NSHDSACASA-N 0 1 292.354 2.907 20 30 CFEDMN CC(C)(C)OC(=O)N1C[C@H](C#N)[C@H](NCC2(C)CCC2)C1 ZINC000779412211 628379919 /nfs/dbraw/zinc/37/99/19/628379919.db2.gz KHZBSJVWPGSDKJ-QWHCGFSZSA-N 0 1 293.411 2.525 20 30 CFEDMN Cc1cc(C=NNC2=N[C@@H]3CCCC[C@H]3N2)ccc1Cl ZINC000779784787 628403625 /nfs/dbraw/zinc/40/36/25/628403625.db2.gz RXNUVIGJLIUDNV-ZIAGYGMSSA-N 0 1 290.798 2.842 20 30 CFEDMN C#C[C@@](C)(CC)NCC(=O)Nc1c(C)cccc1CC ZINC000852099308 634653168 /nfs/dbraw/zinc/65/31/68/634653168.db2.gz JONRNRIIDDHNFN-KRWDZBQOSA-N 0 1 272.392 2.887 20 30 CFEDMN C#C[C@](C)(CC)N[C@H](C)C(=O)Nc1ccc(C)cc1F ZINC000852099361 634653253 /nfs/dbraw/zinc/65/32/53/634653253.db2.gz KQXDWWJPUWQSOV-MLGOLLRUSA-N 0 1 276.355 2.853 20 30 CFEDMN Oc1c(F)cc(C=NNc2ccc3n[nH]cc3c2)cc1F ZINC000779812642 628409837 /nfs/dbraw/zinc/40/98/37/628409837.db2.gz VWMLYKGTKUFZAU-UHFFFAOYSA-N 0 1 288.257 2.993 20 30 CFEDMN COc1cccc(NN=C2CCOc3ccccc32)n1 ZINC000779817211 628410411 /nfs/dbraw/zinc/41/04/11/628410411.db2.gz IWTDWSRWTOTDQZ-UHFFFAOYSA-N 0 1 269.304 2.689 20 30 CFEDMN COc1cccc(NN=C(C)c2ccc(C#N)c(F)c2)n1 ZINC000779820893 628411137 /nfs/dbraw/zinc/41/11/37/628411137.db2.gz PFPPOFJDEPCLPT-UHFFFAOYSA-N 0 1 284.294 2.937 20 30 CFEDMN C#C[C@@](C)(CC)N[C@H](C)C(=O)Nc1ccc(F)c(F)c1 ZINC000852099567 634653954 /nfs/dbraw/zinc/65/39/54/634653954.db2.gz MSGIURUTADKSMH-BMIGLBTASA-N 0 1 280.318 2.683 20 30 CFEDMN C#C[C@@](C)(CC)NCC(=O)Nc1ccc(SC)cc1 ZINC000852100991 634655127 /nfs/dbraw/zinc/65/51/27/634655127.db2.gz MDBULNBDBKKVHE-HNNXBMFYSA-N 0 1 276.405 2.739 20 30 CFEDMN C#C[C@@](C)(CC)NCC(=O)Nc1ccc(C)c(C)c1 ZINC000852101039 634655142 /nfs/dbraw/zinc/65/51/42/634655142.db2.gz MXNGUEXZZCLRKO-INIZCTEOSA-N 0 1 258.365 2.633 20 30 CFEDMN C#C[C@](C)(CC)NCC(=O)Nc1ccc(OC(F)F)cc1 ZINC000852100764 634655186 /nfs/dbraw/zinc/65/51/86/634655186.db2.gz KIJGTSRTDYMAPC-OAHLLOKOSA-N 0 1 296.317 2.618 20 30 CFEDMN C#C[C@@](C)(CC)N[C@@H](C)c1cc(C)c(C(=O)OC)o1 ZINC000852101097 634655417 /nfs/dbraw/zinc/65/54/17/634655417.db2.gz LZJHGQRXZCVXAB-NHYWBVRUSA-N 0 1 263.337 2.827 20 30 CFEDMN C#C[C@](C)(CC)N[C@@H](C)c1cc(C)c(C(=O)OC)o1 ZINC000852101099 634655898 /nfs/dbraw/zinc/65/58/98/634655898.db2.gz LZJHGQRXZCVXAB-XHDPSFHLSA-N 0 1 263.337 2.827 20 30 CFEDMN COc1ccc(NN=C(C)c2ccc(Cl)cn2)nc1 ZINC000780274453 628449047 /nfs/dbraw/zinc/44/90/47/628449047.db2.gz CQYPIQABHZIJOH-UHFFFAOYSA-N 0 1 276.727 2.975 20 30 CFEDMN COc1ccc(NN=C(C)c2cc(C)ccc2O)nc1 ZINC000780275343 628449582 /nfs/dbraw/zinc/44/95/82/628449582.db2.gz USWHMTNGERJSTP-UHFFFAOYSA-N 0 1 271.320 2.940 20 30 CFEDMN C#C[C@@](C)(CC)NCC(=O)Nc1ccc(C#N)c(Cl)c1 ZINC000852101923 634656512 /nfs/dbraw/zinc/65/65/12/634656512.db2.gz URHCTNVQDOLGPM-HNNXBMFYSA-N 0 1 289.766 2.542 20 30 CFEDMN C#C[C@@](C)(CC)N[C@@H]1CCCN(c2cccc(F)c2)C1=O ZINC000852102965 634657994 /nfs/dbraw/zinc/65/79/94/634657994.db2.gz USYSTGPRHOLNJV-WBVHZDCISA-N 0 1 288.366 2.713 20 30 CFEDMN C=CC[C@@H](NCc1ccc(OC)nc1)c1ccncc1 ZINC000780526520 628472059 /nfs/dbraw/zinc/47/20/59/628472059.db2.gz FZWIJUALYLSJSD-OAHLLOKOSA-N 0 1 269.348 2.892 20 30 CFEDMN N#Cc1ccc(CNCc2ccc(OC(F)F)cc2)nc1 ZINC000780555121 628475281 /nfs/dbraw/zinc/47/52/81/628475281.db2.gz OFKCQKYWRZVGRF-UHFFFAOYSA-N 0 1 289.285 2.844 20 30 CFEDMN N#Cc1ccc(CNCc2ccc(F)c3cccnc23)nc1 ZINC000780554543 628475377 /nfs/dbraw/zinc/47/53/77/628475377.db2.gz KDLFGLQSRJMNCQ-UHFFFAOYSA-N 0 1 292.317 2.930 20 30 CFEDMN C#CCN1CCC[C@H]1COC(=O)C1(C)CCCCC1 ZINC000781472506 628551418 /nfs/dbraw/zinc/55/14/18/628551418.db2.gz DQDMWLSPYUCRJL-AWEZNQCLSA-N 0 1 263.381 2.598 20 30 CFEDMN COc1cc([N+](=O)[O-])ccc1N=NCc1ncccc1C ZINC000781588623 628562928 /nfs/dbraw/zinc/56/29/28/628562928.db2.gz WBCNOGCTFRQLGE-UHFFFAOYSA-N 0 1 286.291 2.753 20 30 CFEDMN CCCCCNC(=O)C(C#N)C(=O)[C@H]1CCC(C)(C)C1 ZINC000781763965 628578896 /nfs/dbraw/zinc/57/88/96/628578896.db2.gz AIOOLLAJZGAUSE-QWHCGFSZSA-N 0 1 278.396 2.828 20 30 CFEDMN CCCCCNC(=O)C(C#N)C(=O)[C@@H]1CCC(C)(C)C1 ZINC000781763964 628579065 /nfs/dbraw/zinc/57/90/65/628579065.db2.gz AIOOLLAJZGAUSE-OLZOCXBDSA-N 0 1 278.396 2.828 20 30 CFEDMN CC[C@@H]1C[C@H](CC(=O)Nc2cc(C#N)ccc2O)CCO1 ZINC000782023581 628598091 /nfs/dbraw/zinc/59/80/91/628598091.db2.gz IBEFCIAGXHOXIJ-DGCLKSJQSA-N 0 1 288.347 2.798 20 30 CFEDMN Cc1ccc(N=NC2COCc3ccccc32)nc1 ZINC000782222106 628616791 /nfs/dbraw/zinc/61/67/91/628616791.db2.gz RWPXRUQGWPRERF-UHFFFAOYSA-N 0 1 253.305 2.736 20 30 CFEDMN Cc1cc(NN=Cc2cc(Cl)cs2)ncn1 ZINC000782231984 628617785 /nfs/dbraw/zinc/61/77/85/628617785.db2.gz ZIQWSTFCAKBNAE-UHFFFAOYSA-N 0 1 252.730 2.946 20 30 CFEDMN CO[C@@H](C)CCC(=O)[C@H](C#N)c1nc2cccc(C)c2[nH]1 ZINC000782600236 628646986 /nfs/dbraw/zinc/64/69/86/628646986.db2.gz HLEPTZHDIOPSEN-RYUDHWBXSA-N 0 1 285.347 2.863 20 30 CFEDMN C[C@@H]1CN(CCCOc2ccc(C#N)cc2)[C@@H](C)[C@@H](C)O1 ZINC000782626236 628649829 /nfs/dbraw/zinc/64/98/29/628649829.db2.gz ZPGLVTJMYXUHJX-QLFBSQMISA-N 0 1 288.391 2.825 20 30 CFEDMN C=CCS(=O)(=O)CCN[C@H]1CCc2c1cccc2Cl ZINC000783535872 628718128 /nfs/dbraw/zinc/71/81/28/628718128.db2.gz IHNBVOMDACHGNB-AWEZNQCLSA-N 0 1 299.823 2.518 20 30 CFEDMN C#CCOc1ccc(CN2C[C@H](C)O[C@@H](C)[C@@H]2C)cc1 ZINC000783737562 628739914 /nfs/dbraw/zinc/73/99/14/628739914.db2.gz NOKWRTWUKJYOBM-KKUMJFAQSA-N 0 1 273.376 2.696 20 30 CFEDMN C[C@H]1CCC(=NNCCN2CCCCC2)[C@@H](C)C1 ZINC000783826176 628747967 /nfs/dbraw/zinc/74/79/67/628747967.db2.gz BBVRNIMAWPTNIL-KBPBESRZSA-N 0 1 251.418 2.874 20 30 CFEDMN C[C@@H]1C[C@@H](C)CCC1=NNCCN1CCCCC1 ZINC000783826214 628748077 /nfs/dbraw/zinc/74/80/77/628748077.db2.gz BBVRNIMAWPTNIL-UONOGXRCSA-N 0 1 251.418 2.874 20 30 CFEDMN Cc1cc(CN=Nc2cc(Cl)ccn2)sn1 ZINC000785460875 628885050 /nfs/dbraw/zinc/88/50/50/628885050.db2.gz FTJPKZNQIICWCB-UHFFFAOYSA-N 0 1 252.730 2.946 20 30 CFEDMN COc1ccc(CNCc2ccc(F)nc2C)cc1C#N ZINC000785495076 628888164 /nfs/dbraw/zinc/88/81/64/628888164.db2.gz DKTUPSIISKLVSZ-UHFFFAOYSA-N 0 1 285.322 2.699 20 30 CFEDMN N#Cc1ccc(F)cc1COC(=O)c1cccc2[nH]ncc21 ZINC000785594673 628897204 /nfs/dbraw/zinc/89/72/04/628897204.db2.gz ITOQWDZXPXUNTD-UHFFFAOYSA-N 0 1 295.273 2.931 20 30 CFEDMN N#Cc1ccc2c(c1)CC[C@@H]2NCc1ccc(F)nc1 ZINC000785614538 628898927 /nfs/dbraw/zinc/89/89/27/628898927.db2.gz MNRVYTKJAMDZTB-HNNXBMFYSA-N 0 1 267.307 2.869 20 30 CFEDMN C[C@@H]1CC[C@@H](C)N1CC(=O)OCc1ccc(CC#N)cc1 ZINC000785728815 628907729 /nfs/dbraw/zinc/90/77/29/628907729.db2.gz JEIROUWOMDOGTC-ZIAGYGMSSA-N 0 1 286.375 2.669 20 30 CFEDMN C#CCCCCC(=O)Nc1nc2ccc(F)cc2[nH]1 ZINC000785877891 628918653 /nfs/dbraw/zinc/91/86/53/628918653.db2.gz TXHWWRRBWCWCOR-UHFFFAOYSA-N 0 1 259.284 2.834 20 30 CFEDMN C=C(Br)COC(=O)c1c(C)n[nH]c1C(C)C ZINC000786343462 628950065 /nfs/dbraw/zinc/95/00/65/628950065.db2.gz UNWMVRLZYBDOFL-UHFFFAOYSA-N 0 1 287.157 2.907 20 30 CFEDMN C=CCCN(C)Cc1cc2c(C)nn(C)c2nc1Cl ZINC000786435992 628956542 /nfs/dbraw/zinc/95/65/42/628956542.db2.gz KAGDTRKLNUUULO-UHFFFAOYSA-N 0 1 278.787 2.938 20 30 CFEDMN Cc1cccc(CNC(=O)C(C#N)C(=O)CC2CCC2)c1 ZINC000786549533 628968208 /nfs/dbraw/zinc/96/82/08/628968208.db2.gz RNFGKGSXCGKWIQ-OAHLLOKOSA-N 0 1 284.359 2.510 20 30 CFEDMN N#C[C@]1(F)CCN(Cc2cc(Cl)cc(F)c2O)C1 ZINC000786579298 628969441 /nfs/dbraw/zinc/96/94/41/628969441.db2.gz ONQXEWXXXDFZHM-GFCCVEGCSA-N 0 1 272.682 2.622 20 30 CFEDMN C=CCCCN(C)Cc1cc(Br)nn1C ZINC000787175656 628997446 /nfs/dbraw/zinc/99/74/46/628997446.db2.gz JHKXDIHXVRMMJL-UHFFFAOYSA-N 0 1 272.190 2.581 20 30 CFEDMN N#CCCNCc1ccc(OCc2ccccc2)cc1O ZINC000787300080 629005154 /nfs/dbraw/zinc/00/51/54/629005154.db2.gz DLVXUVPXQXLYEA-UHFFFAOYSA-N 0 1 282.343 2.974 20 30 CFEDMN COc1cccc(N=NCc2cc(C)nc(Cl)c2)n1 ZINC000788724697 629094762 /nfs/dbraw/zinc/09/47/62/629094762.db2.gz DYICUMHTEZWCSN-UHFFFAOYSA-N 0 1 276.727 2.893 20 30 CFEDMN CCC(=NNc1nc2ccccc2n1C)c1cn[nH]c1 ZINC000788995144 629115032 /nfs/dbraw/zinc/11/50/32/629115032.db2.gz RMMNFVSLSLGBQI-UHFFFAOYSA-N 0 1 268.324 2.523 20 30 CFEDMN c1ccc2c(c1)NCCCC2=NNCCc1ccncc1 ZINC000789093049 629125100 /nfs/dbraw/zinc/12/51/00/629125100.db2.gz CLOOKNVKDBGBAW-UHFFFAOYSA-N 0 1 280.375 2.824 20 30 CFEDMN CC(=NNCCc1ccccn1)c1ccc(N)cc1C ZINC000789124928 629128375 /nfs/dbraw/zinc/12/83/75/629128375.db2.gz NVGXXTYUPYZAAG-UHFFFAOYSA-N 0 1 268.364 2.529 20 30 CFEDMN CC[C@@H](C)N(CC)Cc1nc2ccccc2c(=O)n1CC#N ZINC000852292647 634712238 /nfs/dbraw/zinc/71/22/38/634712238.db2.gz FSLZPEWDLSLNIR-CYBMUJFWSA-N 0 1 298.390 2.540 20 30 CFEDMN C=C(CC)CN(C)[C@H]1CCN(Cc2ccccc2)C1=O ZINC000789527530 629163664 /nfs/dbraw/zinc/16/36/64/629163664.db2.gz CBPWXTGMZYQQSL-INIZCTEOSA-N 0 1 272.392 2.686 20 30 CFEDMN CC(N=Nc1cccc2ncccc12)c1ccc(=O)[nH]n1 ZINC000790157441 629214894 /nfs/dbraw/zinc/21/48/94/629214894.db2.gz CITYYXZIHXROJM-UHFFFAOYSA-N 0 1 279.303 2.567 20 30 CFEDMN COc1nc(Cl)c(C=N[N-]c2[nH+]cccc2C)s1 ZINC000790187661 629217333 /nfs/dbraw/zinc/21/73/33/629217333.db2.gz YXSJZCQGXQAQQP-UHFFFAOYSA-N 0 1 282.756 2.955 20 30 CFEDMN COCCOc1ccc(C=NNc2ncccc2C)cc1 ZINC000790187284 629217395 /nfs/dbraw/zinc/21/73/95/629217395.db2.gz WEIXPVWPBUJPRD-UHFFFAOYSA-N 0 1 285.347 2.861 20 30 CFEDMN COc1ccc(CN=Nc2ncccc2C)c(O)c1 ZINC000790189729 629218039 /nfs/dbraw/zinc/21/80/39/629218039.db2.gz CUWXDPQOBAEOLJ-UHFFFAOYSA-N 0 1 257.293 2.550 20 30 CFEDMN Cc1cc2c(c(F)c1)NC(=O)C2=NNc1ncccc1C ZINC000790191479 629218819 /nfs/dbraw/zinc/21/88/19/629218819.db2.gz VFCNYPXDBZQOJS-UHFFFAOYSA-N 0 1 284.294 2.606 20 30 CFEDMN Cn1cc[nH+]c1[N-]N=Cc1cc(F)ccc1Br ZINC000790299450 629226795 /nfs/dbraw/zinc/22/67/95/629226795.db2.gz BRSHMKZJXHMOAJ-UHFFFAOYSA-N 0 1 297.131 2.768 20 30 CFEDMN CC(=NNc1nccn1C)c1ccc(F)cc1OC(F)F ZINC000790302028 629228024 /nfs/dbraw/zinc/22/80/24/629228024.db2.gz LTOMMDJYINNPNT-UHFFFAOYSA-N 0 1 298.268 2.997 20 30 CFEDMN COc1ccc(Cl)cc1C(C)=NNc1nccn1C ZINC000790305180 629228947 /nfs/dbraw/zinc/22/89/47/629228947.db2.gz CSGWOORGNODZBU-UHFFFAOYSA-N 0 1 278.743 2.918 20 30 CFEDMN C[C@@]1(C2CC2)CN(Cc2ccc(OCC#N)cc2)CCO1 ZINC000852323436 634722608 /nfs/dbraw/zinc/72/26/08/634722608.db2.gz ITAKRKSBIYPNEC-KRWDZBQOSA-N 0 1 286.375 2.590 20 30 CFEDMN C[C@@H](C(=O)OCC#Cc1ccccc1)N1[C@H](C)CC[C@H]1C ZINC000791391774 629307913 /nfs/dbraw/zinc/30/79/13/629307913.db2.gz OVBOJTCMPYBHIG-OAGGEKHMSA-N 0 1 285.387 2.843 20 30 CFEDMN C#C[C@H](CCC)NC(=O)c1ccc(Nc2ccncc2)cc1 ZINC000791740005 629350317 /nfs/dbraw/zinc/35/03/17/629350317.db2.gz CINOYEVTGBRWOZ-OAHLLOKOSA-N 0 1 293.370 2.779 20 30 CFEDMN CCCCCNC(=O)C(C#N)C(=O)CCCC(C)C ZINC000835056584 629362643 /nfs/dbraw/zinc/36/26/43/629362643.db2.gz LNHYFGGNEGGWQW-ZDUSSCGKSA-N 0 1 266.385 2.828 20 30 CFEDMN C=CCN(C[C@@H](O)c1c(F)cccc1F)[C@H](C)COC ZINC000852357804 634732072 /nfs/dbraw/zinc/73/20/72/634732072.db2.gz HWPBLFHXHQXGKF-BXUZGUMPSA-N 0 1 285.334 2.521 20 30 CFEDMN N#CC(C(=O)[C@@H]1C[C@]12CCOC2)c1nccc2ccccc21 ZINC000792099861 629397331 /nfs/dbraw/zinc/39/73/31/629397331.db2.gz JRKQMVVGVKDZSK-MPGHIAIKSA-N 0 1 292.338 2.838 20 30 CFEDMN N#CC(=C(O)C=CC1CC1)c1cnc2ccccc2n1 ZINC000792110012 629398300 /nfs/dbraw/zinc/39/83/00/629398300.db2.gz XERAYJLPBHXXSX-ABZNLYFFSA-N 0 1 263.300 2.772 20 30 CFEDMN N#C[C@H](C(=O)[C@H]1CC12CCC2)c1cnc2ccccc2n1 ZINC000792108765 629398321 /nfs/dbraw/zinc/39/83/21/629398321.db2.gz LCSJUXDRJSGGMF-NWDGAFQWSA-N 0 1 277.327 2.996 20 30 CFEDMN CC(C)CO[C@H](C)C(=O)C(C#N)c1cnc2ccccc2n1 ZINC000792110955 629398941 /nfs/dbraw/zinc/39/89/41/629398941.db2.gz VURYNPVUHJDFFI-OLZOCXBDSA-N 0 1 297.358 2.867 20 30 CFEDMN CCCCCCCCCN1CCn2cnnc2C1 ZINC000792224381 629412563 /nfs/dbraw/zinc/41/25/63/629412563.db2.gz KVZIWQABGWCWAT-UHFFFAOYSA-N 0 1 250.390 2.844 20 30 CFEDMN N#Cc1cc(COC(=O)c2ccc3cncn3c2)ccc1F ZINC000792565288 629434530 /nfs/dbraw/zinc/43/45/30/629434530.db2.gz MHTXSCAPSVYYFL-UHFFFAOYSA-N 0 1 295.273 2.702 20 30 CFEDMN C=CCCN1C[C@@H](F)C[C@H]1CN(C)C(=O)OC(C)(C)C ZINC000792919416 629465149 /nfs/dbraw/zinc/46/51/49/629465149.db2.gz LJWWMIKUXDFQBL-STQMWFEESA-N 0 1 286.391 2.842 20 30 CFEDMN C(=NNc1ncnc2[nH]cnc21)c1ccc2c(c1)CCCC2 ZINC000792984588 629472837 /nfs/dbraw/zinc/47/28/37/629472837.db2.gz CZTWDTUHFICIPO-UHFFFAOYSA-N 0 1 292.346 2.678 20 30 CFEDMN Cc1nc(C)c(C=NNc2cc(C#N)cc(Cl)n2)o1 ZINC000793033948 629478422 /nfs/dbraw/zinc/47/84/22/629478422.db2.gz HGMDLHVBYIKKOV-UHFFFAOYSA-N 0 1 275.699 2.658 20 30 CFEDMN Cc1nn(-c2ccncc2)cc1C=NN[C@@H](C)C(C)(C)C ZINC000793111726 629488349 /nfs/dbraw/zinc/48/83/49/629488349.db2.gz LIZYABYYMQHAQH-ZDUSSCGKSA-N 0 1 285.395 2.934 20 30 CFEDMN CC(=NN[C@@H](C)C(C)(C)C)c1ccc(N)c([N+](=O)[O-])c1 ZINC000793112578 629488584 /nfs/dbraw/zinc/48/85/84/629488584.db2.gz UVTKAQUCINNILU-JTQLQIEISA-N 0 1 278.356 2.925 20 30 CFEDMN COc1ccc2c(c1)OCC2=NNc1cccc(Cl)n1 ZINC000793174566 629498927 /nfs/dbraw/zinc/49/89/27/629498927.db2.gz KQHCOMUPSRGTLE-UHFFFAOYSA-N 0 1 289.722 2.952 20 30 CFEDMN COC(=O)c1[nH]c(C=NNc2cccc(Cl)n2)cc1C ZINC000793175540 629499585 /nfs/dbraw/zinc/49/95/85/629499585.db2.gz SYSXUJQYFPBGKG-UHFFFAOYSA-N 0 1 292.726 2.604 20 30 CFEDMN C=C[C@@H](CC)OC(=O)c1cccc(-c2nnc[nH]2)c1 ZINC000793187644 629501383 /nfs/dbraw/zinc/50/13/83/629501383.db2.gz VPEUXADJHWXGRL-LBPRGKRZSA-N 0 1 257.293 2.593 20 30 CFEDMN N#CC1(COC(=O)c2ccc3cncn3c2)CCCCC1 ZINC000793189578 629502240 /nfs/dbraw/zinc/50/22/40/629502240.db2.gz HOSMVXWPQUEPFA-UHFFFAOYSA-N 0 1 283.331 2.965 20 30 CFEDMN CCCN(CCC)Cn1cc2c(c(C#N)c1=O)CCCC2 ZINC000793483500 629555274 /nfs/dbraw/zinc/55/52/74/629555274.db2.gz LNHOLDWNCPIZBX-UHFFFAOYSA-N 0 1 287.407 2.678 20 30 CFEDMN CCN(CCC1CC1)Cn1cc2c(c(C#N)c1=O)CCCC2 ZINC000793512309 629558621 /nfs/dbraw/zinc/55/86/21/629558621.db2.gz QMZWDRSNWJWYFH-UHFFFAOYSA-N 0 1 299.418 2.678 20 30 CFEDMN C=CCCCCC[C@@H](C)NCc1nc(N(C)C)no1 ZINC000793591086 629575876 /nfs/dbraw/zinc/57/58/76/629575876.db2.gz POLWRPMDBSNLGS-GFCCVEGCSA-N 0 1 266.389 2.750 20 30 CFEDMN CSCCON=Cc1cccc(Br)c1O ZINC000794574076 629663311 /nfs/dbraw/zinc/66/33/11/629663311.db2.gz UFNNETVOAWZPNF-UHFFFAOYSA-N 0 1 290.182 2.868 20 30 CFEDMN O=C(/C=C\c1c(F)ccc(O)c1F)c1ccc(O)cc1O ZINC000794940983 629707602 /nfs/dbraw/zinc/70/76/02/629707602.db2.gz HKQZUXUGGNLVPK-HYXAFXHYSA-N 0 1 292.237 2.978 20 30 CFEDMN CC(=NNc1ncccc1C)c1ccc2c(c1)OCC(=O)N2 ZINC000794940170 629707632 /nfs/dbraw/zinc/70/76/32/629707632.db2.gz RSBIKRDINFAVHI-UHFFFAOYSA-N 0 1 296.330 2.557 20 30 CFEDMN C#C[C@@H](C)N(C)c1ccnc2cc(F)c(OC)cc21 ZINC000795172010 629741811 /nfs/dbraw/zinc/74/18/11/629741811.db2.gz FEGGUCRITKCOOX-SNVBAGLBSA-N 0 1 258.296 2.840 20 30 CFEDMN C[C@H](CC(=O)C(C#N)C(=O)N1CCCC1)C1CCCCC1 ZINC000102117593 629753933 /nfs/dbraw/zinc/75/39/33/629753933.db2.gz IHYNYHPARCYHBI-HIFRSBDPSA-N 0 1 290.407 2.924 20 30 CFEDMN C=C(Cl)CN1CC[C@H](C(=O)OC)[C@@H]2CCCC[C@@H]21 ZINC000852497579 634761925 /nfs/dbraw/zinc/76/19/25/634761925.db2.gz WZCPIDSHAPTUJQ-AVGNSLFASA-N 0 1 271.788 2.793 20 30 CFEDMN C#C[C@@H](NCc1ccc2occc2c1)[C@H]1CCCO1 ZINC000796350417 629907848 /nfs/dbraw/zinc/90/78/48/629907848.db2.gz BYTUMXDOWMUQPM-GDBMZVCRSA-N 0 1 255.317 2.703 20 30 CFEDMN N#CC(C(=O)NC1CCCCC1)C(=O)[C@H]1CCC(F)(F)C1 ZINC000796632989 629943027 /nfs/dbraw/zinc/94/30/27/629943027.db2.gz MHXURYICTHLYIT-CMPLNLGQSA-N 0 1 298.333 2.580 20 30 CFEDMN C#CCN(Cc1ccccc1)C[C@@H](O)c1ccccc1F ZINC000796640026 629944653 /nfs/dbraw/zinc/94/46/53/629944653.db2.gz UNQVYFHNWVVIAN-GOSISDBHSA-N 0 1 283.346 2.995 20 30 CFEDMN C=CCOC(=O)[C@@H]1CN(Cc2ccccc2)CCC1(F)F ZINC000796837864 629976616 /nfs/dbraw/zinc/97/66/16/629976616.db2.gz DOXKLEURDYVJMJ-AWEZNQCLSA-N 0 1 295.329 2.873 20 30 CFEDMN CCOCC(=O)C(C#N)c1ncc(C(C)(C)C)s1 ZINC000797572673 630082053 /nfs/dbraw/zinc/08/20/53/630082053.db2.gz FSCWHWDFTZGPHW-VIFPVBQESA-N 0 1 266.366 2.653 20 30 CFEDMN CCOCC(=O)C(C#N)c1ncc(C(C)(C)C)s1 ZINC000797572672 630082480 /nfs/dbraw/zinc/08/24/80/630082480.db2.gz FSCWHWDFTZGPHW-SECBINFHSA-N 0 1 266.366 2.653 20 30 CFEDMN Cc1nn(C(C)C)cc1CNCc1ccc(C#N)cc1 ZINC000798492070 630195055 /nfs/dbraw/zinc/19/50/55/630195055.db2.gz VNCDJNDMWSKNLI-UHFFFAOYSA-N 0 1 268.364 2.934 20 30 CFEDMN N#CCC[C@H](NC[C@H](O)c1ccc(F)cn1)c1ccccc1 ZINC000799316639 630296630 /nfs/dbraw/zinc/29/66/30/630296630.db2.gz VAKBJYFXYQDLLR-RDJZCZTQSA-N 0 1 299.349 2.889 20 30 CFEDMN COc1cccc(NN=Cc2cc(C(F)(F)F)n[nH]2)c1 ZINC000799474672 630312458 /nfs/dbraw/zinc/31/24/58/630312458.db2.gz NOZCJGZMEWCZLB-UHFFFAOYSA-N 0 1 284.241 2.883 20 30 CFEDMN COc1cc(CN=Nc2ccc(F)cn2)ccc1C#N ZINC000799479744 630312614 /nfs/dbraw/zinc/31/26/14/630312614.db2.gz DZXDHJVZDHIALX-UHFFFAOYSA-N 0 1 270.267 2.547 20 30 CFEDMN Cc1cc(C)c(C(C)N=Nc2cnn(C)c2)c(O)c1 ZINC000799886027 630352187 /nfs/dbraw/zinc/35/21/87/630352187.db2.gz INJALNKJVQXAFV-UHFFFAOYSA-N 0 1 258.325 2.579 20 30 CFEDMN CCCC[C@H](C)C(=O)C(C#N)C(=O)Nc1ccccn1 ZINC000800385788 630376883 /nfs/dbraw/zinc/37/68/83/630376883.db2.gz BTMYGWZXHZNQKW-RYUDHWBXSA-N 0 1 273.336 2.555 20 30 CFEDMN CSC1(C=Nn2cnnc2-c2ccccc2)CC1 ZINC000800809384 630406984 /nfs/dbraw/zinc/40/69/84/630406984.db2.gz MAHHMQPHVWTVEP-UHFFFAOYSA-N 0 1 258.350 2.675 20 30 CFEDMN Cc1nc(C(C)N=Nc2cc([N+](=O)[O-])ccc2C)cn1C ZINC000800810983 630407175 /nfs/dbraw/zinc/40/71/75/630407175.db2.gz CBQVVPDMFODDCW-UHFFFAOYSA-N 0 1 287.323 2.781 20 30 CFEDMN Cc1nc(C(C)N=Nc2ccc(F)c([N+](=O)[O-])c2)cn1C ZINC000800815961 630408360 /nfs/dbraw/zinc/40/83/60/630408360.db2.gz VJXDJRWYVSQEGH-UHFFFAOYSA-N 0 1 291.286 2.612 20 30 CFEDMN CC(C)(C)CCCC(=O)C(C#N)C(=O)Nc1ccccn1 ZINC000103640710 630429121 /nfs/dbraw/zinc/42/91/21/630429121.db2.gz RHZVCYGYLSHQLX-LBPRGKRZSA-N 0 1 287.363 2.945 20 30 CFEDMN C[C@@H](C#N)OCCN(Cc1ccccc1F)C1CC1 ZINC000801910806 630485158 /nfs/dbraw/zinc/48/51/58/630485158.db2.gz XLXCOZZFWMNPQA-LBPRGKRZSA-N 0 1 262.328 2.719 20 30 CFEDMN CCc1nc(C)c([C@H](C)[N@@H+](C)CCO[C@H](C)C#N)s1 ZINC000801922454 630487580 /nfs/dbraw/zinc/48/75/80/630487580.db2.gz JUJAENNSYRNQJR-PWSUYJOCSA-N 0 1 281.425 2.935 20 30 CFEDMN CCC(CC)CN(CCC#N)CCO[C@@H](C)C#N ZINC000801924979 630489388 /nfs/dbraw/zinc/48/93/88/630489388.db2.gz XIZQJWUUFGKIPR-ZDUSSCGKSA-N 0 1 251.374 2.567 20 30 CFEDMN CC[C@@](C)(NCCO[C@@H](C)C#N)c1nc(C)cs1 ZINC000801934125 630491091 /nfs/dbraw/zinc/49/10/91/630491091.db2.gz GNPKHEUIRCPCAH-WCQYABFASA-N 0 1 267.398 2.595 20 30 CFEDMN Cc1oc(C(C)C)cc1C(=O)N=C1C[C@@H](C)ON1 ZINC000802933279 630567459 /nfs/dbraw/zinc/56/74/59/630567459.db2.gz SJFSXGSQQSKAHN-MRVPVSSYSA-N 0 1 250.298 2.564 20 30 CFEDMN C=CCN1CCN(CN2C[C@H](c3ccccc3)C[C@@H]2C)C1=O ZINC000839998427 630607909 /nfs/dbraw/zinc/60/79/09/630607909.db2.gz QPMKGCGLQQOEAZ-DOTOQJQBSA-N 0 1 299.418 2.746 20 30 CFEDMN CC[C@@](C)(C#N)C(=O)OCCN(C)Cc1ccc(F)cc1 ZINC000803785739 630644317 /nfs/dbraw/zinc/64/43/17/630644317.db2.gz SIGVNMMTVZHDMO-INIZCTEOSA-N 0 1 292.354 2.741 20 30 CFEDMN C=C(Cl)CN[C@H](C)c1cccc(-n2ccnn2)c1 ZINC000806147438 630774640 /nfs/dbraw/zinc/77/46/40/630774640.db2.gz XFPYBYRKPAJEFO-LLVKDONJSA-N 0 1 262.744 2.670 20 30 CFEDMN C#C[C@H](NC(=O)c1ccc(CN(CC)CC)o1)C(C)(C)C ZINC000807877955 630916596 /nfs/dbraw/zinc/91/65/96/630916596.db2.gz BQAKXPCKZYBKIK-HNNXBMFYSA-N 0 1 290.407 2.899 20 30 CFEDMN CC[C@@H]1CN(CC)CCN1C(=O)/C=C/c1ccccc1C#N ZINC000836948049 630922207 /nfs/dbraw/zinc/92/22/07/630922207.db2.gz NMEHBCRUJOJDSP-OAGJVSPASA-N 0 1 297.402 2.514 20 30 CFEDMN C(=NNc1nccnc1C1CCC1)c1cscn1 ZINC000807992736 630933106 /nfs/dbraw/zinc/93/31/06/630933106.db2.gz OQQRERYPEZYKLN-UHFFFAOYSA-N 0 1 259.338 2.647 20 30 CFEDMN C(=NNCC1CCCC1)c1cc(-c2cccnc2)[nH]n1 ZINC000808006739 630940245 /nfs/dbraw/zinc/94/02/45/630940245.db2.gz ZWGQZDFNUNHGIF-UHFFFAOYSA-N 0 1 269.352 2.585 20 30 CFEDMN CCCC1N=NC(=S)N1N=Cc1cccc(Cl)c1O ZINC000808009056 630941588 /nfs/dbraw/zinc/94/15/88/630941588.db2.gz ZPVPLGREMRGRSN-UHFFFAOYSA-N 0 1 296.783 2.761 20 30 CFEDMN CN(C)[C@H](CNC(=O)C#CC(C)(C)C)c1cccs1 ZINC000837313257 630995684 /nfs/dbraw/zinc/99/56/84/630995684.db2.gz YIVGYUZAPMEKSM-GFCCVEGCSA-N 0 1 278.421 2.517 20 30 CFEDMN CN(Cc1ccc(Cl)c(Cl)c1)C[C@H](O)CC#N ZINC000809573080 631237908 /nfs/dbraw/zinc/23/79/08/631237908.db2.gz XTHNDJCPYZHMTE-SNVBAGLBSA-N 0 1 273.163 2.700 20 30 CFEDMN C#Cc1ccc(CNCc2cccc(C(=O)NCC)c2)cc1 ZINC000809607548 631245946 /nfs/dbraw/zinc/24/59/46/631245946.db2.gz CWCBKBXWCGMRCK-UHFFFAOYSA-N 0 1 292.382 2.707 20 30 CFEDMN C#C[C@H](C)NCc1cccc(OCC)c1OCCC ZINC000809682796 631260306 /nfs/dbraw/zinc/26/03/06/631260306.db2.gz COLYPJXVZSEDDH-ZDUSSCGKSA-N 0 1 261.365 2.985 20 30 CFEDMN C#C[C@H](C)NCc1ccccc1OCc1cccnc1 ZINC000809683445 631260670 /nfs/dbraw/zinc/26/06/70/631260670.db2.gz AAWBUKCHFRXWHF-AWEZNQCLSA-N 0 1 266.344 2.772 20 30 CFEDMN C[C@H](C[C@@H](O)c1cccs1)NCc1nc(C#N)cs1 ZINC000810152041 631335024 /nfs/dbraw/zinc/33/50/24/631335024.db2.gz KVTHVCQRPASJQX-MWLCHTKSSA-N 0 1 293.417 2.678 20 30 CFEDMN C#C[C@H](NCc1ccc(SC)s1)[C@H]1CCCO1 ZINC000810152849 631335639 /nfs/dbraw/zinc/33/56/39/631335639.db2.gz DPWJGOFTFHJMTF-NWDGAFQWSA-N 0 1 267.419 2.740 20 30 CFEDMN C#CC[C@H](OC(=O)[C@@]1(F)CCN(C(C)(C)C)C1)C1CC1 ZINC000810609640 631402266 /nfs/dbraw/zinc/40/22/66/631402266.db2.gz NHRILHBABWUNOA-XJKSGUPXSA-N 0 1 281.371 2.544 20 30 CFEDMN N#Cc1ccc2c(c1)CCC[C@@H]2NC(=O)C(F)(F)F ZINC000841465266 631411037 /nfs/dbraw/zinc/41/10/37/631411037.db2.gz BZRVRZPQKLAIMG-NSHDSACASA-N 0 1 268.238 2.614 20 30 CFEDMN C=C(C)[C@@H](C)OC(=O)[C@]1(F)CCN(C(C)(C)C)C1 ZINC000810671509 631423643 /nfs/dbraw/zinc/42/36/43/631423643.db2.gz HJUNUOJVYHVSMU-RISCZKNCSA-N 0 1 257.349 2.707 20 30 CFEDMN COc1cc(C(=O)[O-])ccc1N[NH2+]C(C)=C1CC1(F)F ZINC000841633957 631438270 /nfs/dbraw/zinc/43/82/70/631438270.db2.gz YQNQRLQLOYSQHH-VIFPVBQESA-N 0 1 284.262 2.836 20 30 CFEDMN C[C@@H]1CN(Cn2cc3c(c(C#N)c2=O)CCCC3)[C@@H](C)[C@H]1C ZINC000841688157 631451077 /nfs/dbraw/zinc/45/10/77/631451077.db2.gz CMBBHPHZDMXVMY-RDBSUJKOSA-N 0 1 299.418 2.533 20 30 CFEDMN COc1cc(Cl)cc(CNCC2(C#N)CCC2)c1O ZINC000841899577 631491139 /nfs/dbraw/zinc/49/11/39/631491139.db2.gz WTKMTDNQQXXXOI-UHFFFAOYSA-N 0 1 280.755 2.838 20 30 CFEDMN C[C@@H](C#N)OCCN1CCC[C@@H]1Cc1cc(F)ccc1F ZINC000842161307 631556893 /nfs/dbraw/zinc/55/68/93/631556893.db2.gz NPMZOTPYNTVQGH-SWLSCSKDSA-N 0 1 294.345 2.900 20 30 CFEDMN C[C@H](C#N)OCCN1CCC[C@H]1Cc1cc(F)ccc1F ZINC000842161302 631557136 /nfs/dbraw/zinc/55/71/36/631557136.db2.gz NPMZOTPYNTVQGH-DOMZBBRYSA-N 0 1 294.345 2.900 20 30 CFEDMN C[C@@H]1C(N=Nc2cnccn2)CCN1Cc1ccccc1 ZINC000811638236 631589878 /nfs/dbraw/zinc/58/98/78/631589878.db2.gz KPYABYBVWFEVIH-CYBMUJFWSA-N 0 1 281.363 2.539 20 30 CFEDMN CCCON=Cc1ccccc1N1CCO[C@@H](C)C1 ZINC000842556195 631664112 /nfs/dbraw/zinc/66/41/12/631664112.db2.gz IRLUAWALQFWMKS-ZDUSSCGKSA-N 0 1 262.353 2.672 20 30 CFEDMN C[C@H]1CN(Cc2ccccn2)CCC1=NOC1CCC1 ZINC000812235163 631673233 /nfs/dbraw/zinc/67/32/33/631673233.db2.gz NQDQACZXFAEJOB-ZDUSSCGKSA-N 0 1 273.380 2.849 20 30 CFEDMN CC(=NOC1CCC1)c1cccc(N2CCOCC2)c1 ZINC000812236095 631674622 /nfs/dbraw/zinc/67/46/22/631674622.db2.gz VUFQCGCMJFXFAO-UHFFFAOYSA-N 0 1 274.364 2.816 20 30 CFEDMN C=CC1CCN(CN2C[C@@H](C3CCCC3)CC2=O)CC1 ZINC000842596637 631675411 /nfs/dbraw/zinc/67/54/11/631675411.db2.gz PEZGPCUSIGTJPN-INIZCTEOSA-N 0 1 276.424 2.881 20 30 CFEDMN C#CC[C@H]1CCCN(Cn2ncc3ccc([N+](=O)[O-])cc32)C1 ZINC000842627418 631685164 /nfs/dbraw/zinc/68/51/64/631685164.db2.gz HTIQJJZNPLYZJJ-ZDUSSCGKSA-N 0 1 298.346 2.637 20 30 CFEDMN C#CC[C@@H]1CCCN(CN2C[C@H](CC(C)C)CC2=O)C1 ZINC000842629590 631685477 /nfs/dbraw/zinc/68/54/77/631685477.db2.gz PTNIQUNBHDNDKL-HZPDHXFCSA-N 0 1 276.424 2.574 20 30 CFEDMN C#CC[C@@H]1CCCN(CN2C[C@@H](C3CCCC3)CC2=O)C1 ZINC000842629138 631686044 /nfs/dbraw/zinc/68/60/44/631686044.db2.gz JVTSHUUQDPZBDI-WBVHZDCISA-N 0 1 288.435 2.718 20 30 CFEDMN C#CC1CCN(Cn2ccc(-c3ccc(F)cc3)n2)CC1 ZINC000842633796 631687206 /nfs/dbraw/zinc/68/72/06/631687206.db2.gz MZKVPXTWOYRIQM-UHFFFAOYSA-N 0 1 283.350 2.992 20 30 CFEDMN C#C[C@@H](NC(=O)[C@@H]1CCCCN1C)c1ccc(Cl)cc1 ZINC000812353939 631695285 /nfs/dbraw/zinc/69/52/85/631695285.db2.gz CVLBPXCTHMFQNP-CABCVRRESA-N 0 1 290.794 2.615 20 30 CFEDMN CCCCCNC(=O)C(C#N)C(=O)C1CC2(CCC2)C1 ZINC000842683569 631706050 /nfs/dbraw/zinc/70/60/50/631706050.db2.gz NNYVEDRNGVSPML-CYBMUJFWSA-N 0 1 276.380 2.582 20 30 CFEDMN C#C[C@@H](NC(=O)c1[nH]nc2c1CCCC2)c1ccc(F)cc1 ZINC000812747522 631766626 /nfs/dbraw/zinc/76/66/26/631766626.db2.gz CCMOMVQWBKRHAH-CQSZACIVSA-N 0 1 297.333 2.532 20 30 CFEDMN Cc1cc([C@@H](C)NCc2ccc(CC#N)cc2)n(C)n1 ZINC000842886626 631773439 /nfs/dbraw/zinc/77/34/39/631773439.db2.gz FYYTTWNYMZFIRZ-CYBMUJFWSA-N 0 1 268.364 2.645 20 30 CFEDMN N#CC(C(=O)C1=CCOCC1)c1nc(C2CC2)cs1 ZINC000842942595 631788072 /nfs/dbraw/zinc/78/80/72/631788072.db2.gz BZVYVMPMUAUPIN-NSHDSACASA-N 0 1 274.345 2.543 20 30 CFEDMN CC(C)OCC(=O)C(C#N)c1nc(C2CC2)cs1 ZINC000842943603 631788339 /nfs/dbraw/zinc/78/83/39/631788339.db2.gz XZVIFXVLSNCXFS-JTQLQIEISA-N 0 1 264.350 2.622 20 30 CFEDMN C#CCN(CC(=O)N([C@H](C)C1CC1)C1CC1)C1CCCC1 ZINC000155741529 650030608 /nfs/dbraw/zinc/03/06/08/650030608.db2.gz JZGJDOHWHWOYQO-CQSZACIVSA-N 0 1 288.435 2.654 20 30 CFEDMN N#CC(C(=O)CCCC1CC1)C(=O)Nc1ccccc1 ZINC000813060073 631822531 /nfs/dbraw/zinc/82/25/31/631822531.db2.gz OVYZGNLSGCEGNN-AWEZNQCLSA-N 0 1 270.332 2.914 20 30 CFEDMN CCC[C@@H]1C[C@H]1C(=O)C(C#N)C(=O)NCc1cccc(C)c1 ZINC000813089238 631831938 /nfs/dbraw/zinc/83/19/38/631831938.db2.gz PRIKCIKRGWNENO-BZUAXINKSA-N 0 1 298.386 2.756 20 30 CFEDMN N#C[C@H](C(=O)C[C@H]1CCCO1)c1cc(C(F)(F)F)ccn1 ZINC000813212393 631882067 /nfs/dbraw/zinc/88/20/67/631882067.db2.gz BATHIEJPTUSOIV-MNOVXSKESA-N 0 1 298.264 2.846 20 30 CFEDMN N#CC(C(=O)C1=COCCC1)c1cc(C(F)(F)F)ccn1 ZINC000813216965 631882530 /nfs/dbraw/zinc/88/25/30/631882530.db2.gz ISCRXLUUABLBDW-LLVKDONJSA-N 0 1 296.248 2.971 20 30 CFEDMN C#CC[C@H]1CCCN(Cc2c(Cl)n(C)nc2CC)C1 ZINC000843423700 631952302 /nfs/dbraw/zinc/95/23/02/631952302.db2.gz IMPHXNDDKQODGY-LBPRGKRZSA-N 0 1 279.815 2.871 20 30 CFEDMN N#CC[C@@]1(O)CCN(Cc2ccccc2N2CCCCC2)C1 ZINC000843424941 631953136 /nfs/dbraw/zinc/95/31/36/631953136.db2.gz AXDYGPXKOLSHJM-GOSISDBHSA-N 0 1 299.418 2.527 20 30 CFEDMN C#CC1CCN(Cc2c(OC)cc(OC)cc2OC)CC1 ZINC000843428384 631955490 /nfs/dbraw/zinc/95/54/90/631955490.db2.gz IAJRCVFEDVXROZ-UHFFFAOYSA-N 0 1 289.375 2.558 20 30 CFEDMN C#CC1CCN(Cc2ccnn2-c2ccc(F)cc2)CC1 ZINC000843427309 631955776 /nfs/dbraw/zinc/95/57/76/631955776.db2.gz ZNJBXJRBDHZMNA-UHFFFAOYSA-N 0 1 283.350 2.857 20 30 CFEDMN C#CC1CCN(Cc2cc(OC)c(OC)cc2OC)CC1 ZINC000843429135 631956462 /nfs/dbraw/zinc/95/64/62/631956462.db2.gz WFUADJVYMDENAL-UHFFFAOYSA-N 0 1 289.375 2.558 20 30 CFEDMN C#C[C@@H](NCc1ccc2c(c1)CCCC2)[C@H]1CCCO1 ZINC000813776314 631958227 /nfs/dbraw/zinc/95/82/27/631958227.db2.gz UTKZUWBHQOYZKI-QZTJIDSGSA-N 0 1 269.388 2.836 20 30 CFEDMN Cc1cc(CN2CC[C@H](Oc3ccc(C#N)cn3)C2)c(C)o1 ZINC000814171924 632021612 /nfs/dbraw/zinc/02/16/12/632021612.db2.gz ULIGCSZYQHOCAB-INIZCTEOSA-N 0 1 297.358 2.816 20 30 CFEDMN C[C@@H]1CN(Cc2ccccn2)CCC1=NOCC1CC1 ZINC000814243659 632043377 /nfs/dbraw/zinc/04/33/77/632043377.db2.gz IIZDMIMBXFBUFU-CYBMUJFWSA-N 0 1 273.380 2.706 20 30 CFEDMN C[C@@H]1CN(c2ccccc2C=NOCC2CC2)CCO1 ZINC000814244377 632043573 /nfs/dbraw/zinc/04/35/73/632043573.db2.gz QDBOKCVIVPQOOK-CYBMUJFWSA-N 0 1 274.364 2.672 20 30 CFEDMN C#C[C@H](NC(=O)c1c(C)n[nH]c1C(C)C)c1ccccc1 ZINC000843968188 632086263 /nfs/dbraw/zinc/08/62/63/632086263.db2.gz TXXDKAGMKFQPDB-AWEZNQCLSA-N 0 1 281.359 2.946 20 30 CFEDMN Cc1n[nH]cc1C(C)N=Nc1ccc(F)cc1F ZINC000814686392 632108736 /nfs/dbraw/zinc/10/87/36/632108736.db2.gz CKUZMCBZUHHZAN-UHFFFAOYSA-N 0 1 250.252 2.832 20 30 CFEDMN C#CCOCSc1nc(-c2ccc(Cl)cc2)n[nH]1 ZINC000814727428 632114395 /nfs/dbraw/zinc/11/43/95/632114395.db2.gz NUNRRNGHXNIRQC-UHFFFAOYSA-N 0 1 279.752 2.825 20 30 CFEDMN COCC(=NNc1cnccn1)c1cccc(Cl)c1F ZINC000814797412 632126145 /nfs/dbraw/zinc/12/61/45/632126145.db2.gz NEQFQOKWHMCVAX-UHFFFAOYSA-N 0 1 294.717 2.732 20 30 CFEDMN Cc1cc(NN=Cc2ccc(Cl)o2)nc(C)n1 ZINC000814807032 632128986 /nfs/dbraw/zinc/12/89/86/632128986.db2.gz CGOZNCUQFAGICQ-UHFFFAOYSA-N 0 1 250.689 2.786 20 30 CFEDMN c1ccc(C2CC(=NNCCN3CCCCC3)C2)cc1 ZINC000814808836 632130238 /nfs/dbraw/zinc/13/02/38/632130238.db2.gz TZIDONGHVMKBPB-UHFFFAOYSA-N 0 1 271.408 2.996 20 30 CFEDMN CCc1cc(N=NCc2cocn2)nc(-c2ccccn2)n1 ZINC000814841864 632136168 /nfs/dbraw/zinc/13/61/68/632136168.db2.gz KYFUGLUOMGNSKO-UHFFFAOYSA-N 0 1 294.318 2.535 20 30 CFEDMN C[C@H](CC#N)NN=C1CC[C@H]2CNc3cccc1c32 ZINC000814883093 632147579 /nfs/dbraw/zinc/14/75/79/632147579.db2.gz ADGVBSPZCIZKOO-MNOVXSKESA-N 0 1 254.337 2.585 20 30 CFEDMN Cc1cc2ccccc2nc1NN=Cc1cocn1 ZINC000814896073 632153283 /nfs/dbraw/zinc/15/32/83/632153283.db2.gz HQHOFTPCYISIJA-UHFFFAOYSA-N 0 1 252.277 2.977 20 30 CFEDMN CCC(=[NH+][N-]c1cccc(OC)n1)c1cccc(N)c1 ZINC000814900419 632155098 /nfs/dbraw/zinc/15/50/98/632155098.db2.gz SJNGNRHYODNSND-UHFFFAOYSA-N 0 1 270.336 2.899 20 30 CFEDMN CC(C)c1cnc(C=NN=c2cc(Cl)[nH]c(N)n2)s1 ZINC000814899457 632155194 /nfs/dbraw/zinc/15/51/94/632155194.db2.gz XIQLXSMZKAECLP-UHFFFAOYSA-N 0 1 296.787 2.738 20 30 CFEDMN COc1ccc(F)c(CN=Nc2cccc(F)n2)c1 ZINC000814927937 632168166 /nfs/dbraw/zinc/16/81/66/632168166.db2.gz OBUXFVSMSACEDJ-UHFFFAOYSA-N 0 1 263.247 2.814 20 30 CFEDMN COCCCON=Cc1cc(Cl)c(F)cc1O ZINC000814931246 632170363 /nfs/dbraw/zinc/17/03/63/632170363.db2.gz OQFFRHSVNZQKEB-UHFFFAOYSA-N 0 1 261.680 2.572 20 30 CFEDMN C[C@@H]1CN(C2CC2)CC1N=Nc1ccc(F)c(F)c1F ZINC000814945740 632176928 /nfs/dbraw/zinc/17/69/28/632176928.db2.gz NWZNNHVXCKRNFY-MRVPVSSYSA-N 0 1 283.297 2.986 20 30 CFEDMN Cc1nn(C)cc1CN=Nc1ccc(F)c(F)c1F ZINC000814945470 632177095 /nfs/dbraw/zinc/17/70/95/632177095.db2.gz XSPHVVSKVFSFQI-UHFFFAOYSA-N 0 1 268.242 2.592 20 30 CFEDMN CSc1ccc(C(C)N=Nc2cnnn2C)cc1F ZINC000814982234 632184174 /nfs/dbraw/zinc/18/41/74/632184174.db2.gz RWRLSWGDKOOQFL-UHFFFAOYSA-N 0 1 279.344 2.512 20 30 CFEDMN Cc1cc(Cl)cc(C)c1CN=Nc1cnnn1C ZINC000814982069 632184290 /nfs/dbraw/zinc/18/42/90/632184290.db2.gz ODKJHIXTNVCKJS-UHFFFAOYSA-N 0 1 263.732 2.531 20 30 CFEDMN C=C(C)CON=C(C)c1ccc(N2CCOCC2)cc1 ZINC000844614264 632263330 /nfs/dbraw/zinc/26/33/30/632263330.db2.gz DQPFUPRPWCWICI-UHFFFAOYSA-N 0 1 274.364 2.840 20 30 CFEDMN Cc1c(N=NC2CCC[N@H+](C)CC2)cccc1C(=O)[O-] ZINC000844624942 632267683 /nfs/dbraw/zinc/26/76/83/632267683.db2.gz UBKNQLGWTRSWNI-UHFFFAOYSA-N 0 1 275.352 2.577 20 30 CFEDMN CC[C@H](C#N)OC(=O)[C@H]1CCCCN1C1CCCC1 ZINC000815448065 632276485 /nfs/dbraw/zinc/27/64/85/632276485.db2.gz FGEGGHOUJYTUOI-ZIAGYGMSSA-N 0 1 264.369 2.629 20 30 CFEDMN C=CCC(F)(F)C(=O)NC1(C(F)(F)F)CCC1 ZINC000815720199 632314815 /nfs/dbraw/zinc/31/48/15/632314815.db2.gz XJWBRXULUSISJI-UHFFFAOYSA-N 0 1 257.202 2.799 20 30 CFEDMN CC(=O)c1cc(C(=O)Nc2cc(C#N)ccc2O)cs1 ZINC000815878087 632328183 /nfs/dbraw/zinc/32/81/83/632328183.db2.gz SBNIYPAVGAYLGC-UHFFFAOYSA-N 0 1 286.312 2.780 20 30 CFEDMN N#CC(C(=O)NC1CCCCC1)C(=O)[C@@H]1C[C@H]1C1CCC1 ZINC000845440323 632435830 /nfs/dbraw/zinc/43/58/30/632435830.db2.gz DMHVZWKDVPVULQ-RRFJBIMHSA-N 0 1 288.391 2.580 20 30 CFEDMN N#C[C@]1(F)CCN(Cc2cc(Cl)c(F)cc2O)C1 ZINC000816588042 632490571 /nfs/dbraw/zinc/49/05/71/632490571.db2.gz DULBUEQIFCOOOD-GFCCVEGCSA-N 0 1 272.682 2.622 20 30 CFEDMN C[C@H]1C[C@@H]1C(=O)C(C#N)=C(O)C1(c2ccccc2)CC1 ZINC000845846977 632579431 /nfs/dbraw/zinc/57/94/31/632579431.db2.gz XAOGOPPPGGQVHI-UBHSHLNASA-N 0 1 267.328 2.652 20 30 CFEDMN CC(C)(C#N)CC(=O)C(C#N)=C(O)C1(c2ccccc2)CC1 ZINC000845846226 632579458 /nfs/dbraw/zinc/57/94/58/632579458.db2.gz SOACGUFPNIAQIY-CQSZACIVSA-N 0 1 294.354 2.936 20 30 CFEDMN CO[C@H](C)CCC(=O)C(C#N)=C(O)C1(c2ccccc2)CC1 ZINC000845847098 632579562 /nfs/dbraw/zinc/57/95/62/632579562.db2.gz YKUJQAXZLHJTLA-UKRRQHHQSA-N 0 1 299.370 2.811 20 30 CFEDMN C[C@H]1CCCc2ncc(C(=O)Nc3cc(C#N)ccc3O)n21 ZINC000845888468 632591907 /nfs/dbraw/zinc/59/19/07/632591907.db2.gz UUDDLCSQDCASKL-JTQLQIEISA-N 0 1 296.330 2.610 20 30 CFEDMN CCOCCON=C1CCCCc2ccc(N)cc21 ZINC000817326300 632602465 /nfs/dbraw/zinc/60/24/65/632602465.db2.gz NSCRCFWOWPMZFF-UHFFFAOYSA-N 0 1 262.353 2.752 20 30 CFEDMN C(=NNC1=N[C@H]2CCCC[C@@H]2N1)c1cccc(C2CC2)c1 ZINC000817325510 632602539 /nfs/dbraw/zinc/60/25/39/632602539.db2.gz DEIXGWWYBVMJHJ-HOTGVXAUSA-N 0 1 282.391 2.758 20 30 CFEDMN C#C[C@H](NCc1cc(OC)c(OC)cc1F)C(C)(C)C ZINC000845973267 632607162 /nfs/dbraw/zinc/60/71/62/632607162.db2.gz WZXTUAVUKXQWQP-HNNXBMFYSA-N 0 1 279.355 2.980 20 30 CFEDMN CN(Cc1cc(C#N)cs1)C[C@H](O)c1ccc(C#N)cc1 ZINC000846004793 632611720 /nfs/dbraw/zinc/61/17/20/632611720.db2.gz WBMJADKCHBZEJV-INIZCTEOSA-N 0 1 297.383 2.657 20 30 CFEDMN COc1cc(O)c(CNCC2(C#N)CCCC2)cc1OC ZINC000846010748 632613595 /nfs/dbraw/zinc/61/35/95/632613595.db2.gz OHRCTIWQAMUBCX-UHFFFAOYSA-N 0 1 290.363 2.583 20 30 CFEDMN N#Cc1ccc(CNc2nccn2C2CC2)cc1F ZINC000817572971 632666881 /nfs/dbraw/zinc/66/68/81/632666881.db2.gz HJZPWWLEJAEFKY-UHFFFAOYSA-N 0 1 256.284 2.841 20 30 CFEDMN C=CC[N@@H+](CC(=O)[O-])C[C@H](OC)c1ccc(Cl)cc1 ZINC000846263159 632677319 /nfs/dbraw/zinc/67/73/19/632677319.db2.gz BXIJVJMDHCIJAS-ZDUSSCGKSA-N 0 1 283.755 2.600 20 30 CFEDMN N#CC(C(=O)Nc1ccc(Cl)cc1)C(=O)[C@H]1CC12CC2 ZINC000817714345 632690365 /nfs/dbraw/zinc/69/03/65/632690365.db2.gz QTBNTBMJRSIOPP-NWDGAFQWSA-N 0 1 288.734 2.787 20 30 CFEDMN CC[C@H](NC(=O)C(C#N)C(=O)[C@H]1CC12CC2)c1ccccc1 ZINC000817729308 632695670 /nfs/dbraw/zinc/69/56/70/632695670.db2.gz CFHXLYXPGGZKCN-KFWWJZLASA-N 0 1 296.370 2.763 20 30 CFEDMN C=C(C)CONC(=O)[C@H](CC)c1ccc(OC)cc1 ZINC000846536011 632725599 /nfs/dbraw/zinc/72/55/99/632725599.db2.gz POGPLVIEIUDODW-CQSZACIVSA-N 0 1 263.337 2.813 20 30 CFEDMN C=C(C)CONC(=O)[C@H]1CCSc2ccccc21 ZINC000846536972 632726736 /nfs/dbraw/zinc/72/67/36/632726736.db2.gz DYODFFSINWDZMD-LBPRGKRZSA-N 0 1 263.362 2.890 20 30 CFEDMN C=C[C@H](C)O[N-]C(=O)[C@@H](c1cccc(Cl)c1)[NH+](C)C ZINC000846545950 632733613 /nfs/dbraw/zinc/73/36/13/632733613.db2.gz QWNMWJPAYGHWIF-GXFFZTMASA-N 0 1 282.771 2.565 20 30 CFEDMN C=C[C@@H](C)ONC(=O)Cc1nc(-c2ccsc2)oc1C ZINC000846551091 632738860 /nfs/dbraw/zinc/73/88/60/632738860.db2.gz QYKBODNNLXTXOI-SECBINFHSA-N 0 1 292.360 2.876 20 30 CFEDMN C#CCCN1CCN(CCCc2c(F)cccc2F)CC1 ZINC000846837832 632816369 /nfs/dbraw/zinc/81/63/69/632816369.db2.gz QMXWUGIYQGCOIA-UHFFFAOYSA-N 0 1 292.373 2.538 20 30 CFEDMN CCCCCC(C)=Nn1cnnc1-n1nc(C)cc1C ZINC000818264442 632820504 /nfs/dbraw/zinc/82/05/04/632820504.db2.gz SZDXKSGXJUIJKW-UHFFFAOYSA-N 0 1 274.372 2.885 20 30 CFEDMN CC1(C#N)CCN(CC2(Br)CC2)CC1 ZINC000846849319 632821564 /nfs/dbraw/zinc/82/15/64/632821564.db2.gz CTIONBPPRFGPTC-UHFFFAOYSA-N 0 1 257.175 2.540 20 30 CFEDMN C=CCn1cc(CN[C@@H](CC)c2ccc(C)cc2O)nn1 ZINC000818347565 632835902 /nfs/dbraw/zinc/83/59/02/632835902.db2.gz RZZWJHAIVUGYDS-HNNXBMFYSA-N 0 1 286.379 2.719 20 30 CFEDMN C#C[C@H]1CCC[N@H+]([C@@H](C)c2cc(C)c(C(=O)OC)o2)C1 ZINC000847020645 632885160 /nfs/dbraw/zinc/88/51/60/632885160.db2.gz CVRJWIPSSKICFG-STQMWFEESA-N 0 1 275.348 2.781 20 30 CFEDMN C#C[C@H]1CCCN([C@@H](C)c2cc(C)c(C(=O)OC)o2)C1 ZINC000847020645 632885171 /nfs/dbraw/zinc/88/51/71/632885171.db2.gz CVRJWIPSSKICFG-STQMWFEESA-N 0 1 275.348 2.781 20 30 CFEDMN C#C[C@@H]1CCCN(Cc2cnn(-c3ccccc3)c2)C1 ZINC000847021857 632887505 /nfs/dbraw/zinc/88/75/05/632887505.db2.gz BYQNNDMMYIUYTP-OAHLLOKOSA-N 0 1 265.360 2.718 20 30 CFEDMN C#C[C@@H]1CCCN(CC(=O)N(C(C)C)C2CCCC2)C1 ZINC000847023940 632888802 /nfs/dbraw/zinc/88/88/02/632888802.db2.gz GRQSCLBZTWSRDI-OAHLLOKOSA-N 0 1 276.424 2.511 20 30 CFEDMN C#C[C@@H]1CCCN([C@H](C)C(=O)N(C)C2CCCCC2)C1 ZINC000847029173 632894293 /nfs/dbraw/zinc/89/42/93/632894293.db2.gz LMEMOQUUBUVADF-HUUCEWRRSA-N 0 1 276.424 2.511 20 30 CFEDMN C#C[C@@H]1CCCN([C@@H](C)C(=O)N2c3ccccc3C[C@@H]2C)C1 ZINC000847032259 632895691 /nfs/dbraw/zinc/89/56/91/632895691.db2.gz WKQPCTWYHSBZOD-HRCADAONSA-N 0 1 296.414 2.698 20 30 CFEDMN N#CCC[C@H](C#N)CNCCCOc1ccccc1F ZINC000818943961 632912305 /nfs/dbraw/zinc/91/23/05/632912305.db2.gz DARPUWKJGHRLMM-CYBMUJFWSA-N 0 1 275.327 2.628 20 30 CFEDMN Cc1ccc(OC[C@H](C)NC[C@@H](C#N)CCC#N)cc1 ZINC000818982349 632920779 /nfs/dbraw/zinc/92/07/79/632920779.db2.gz LBCUPEVSPNJDQG-LSDHHAIUSA-N 0 1 271.364 2.795 20 30 CFEDMN N#CCCNCCc1ccc(Br)cc1F ZINC000819040961 632940301 /nfs/dbraw/zinc/94/03/01/632940301.db2.gz QLDNVTFROCKRLV-UHFFFAOYSA-N 0 1 271.133 2.634 20 30 CFEDMN Cc1cc(N(C)C)ccc1CNC[C@@H](C#N)CCC#N ZINC000819076446 632955551 /nfs/dbraw/zinc/95/55/51/632955551.db2.gz CERBMNOCTRGSMQ-CQSZACIVSA-N 0 1 270.380 2.594 20 30 CFEDMN CC(C)(C#N)CNC[C@@H](O)c1ccc(C(F)(F)F)cc1 ZINC000819219789 633023441 /nfs/dbraw/zinc/02/34/41/633023441.db2.gz UJQORQHIUDJSPN-GFCCVEGCSA-N 0 1 286.297 2.878 20 30 CFEDMN CC(C)(C#N)CNC[C@@H](O)c1ccc(Br)cc1 ZINC000819218889 633024504 /nfs/dbraw/zinc/02/45/04/633024504.db2.gz MKZAMFFEIPDXAS-GFCCVEGCSA-N 0 1 297.196 2.622 20 30 CFEDMN N#CCc1ccccc1CC(=O)OCc1cc(C2CC2)[nH]n1 ZINC000848012151 633184670 /nfs/dbraw/zinc/18/46/70/633184670.db2.gz IKLBLKINZFQZGD-UHFFFAOYSA-N 0 1 295.342 2.639 20 30 CFEDMN N#Cc1ccc(C(=O)OCc2cc(C3CC3)[nH]n2)cc1 ZINC000848016179 633188797 /nfs/dbraw/zinc/18/87/97/633188797.db2.gz RUXKQZCVHXYVTC-UHFFFAOYSA-N 0 1 267.288 2.516 20 30 CFEDMN N#Cc1cccc(C(=O)OCc2cc(C3CC3)[nH]n2)c1 ZINC000848016349 633189212 /nfs/dbraw/zinc/18/92/12/633189212.db2.gz VMRVZRNCHWHAPR-UHFFFAOYSA-N 0 1 267.288 2.516 20 30 CFEDMN C#C[C@@H]1CCCN(C(=O)c2cn[nH]c2-c2ccccc2F)C1 ZINC000848282113 633231461 /nfs/dbraw/zinc/23/14/61/633231461.db2.gz QVKBMYWMNZTXDZ-GFCCVEGCSA-N 0 1 297.333 2.701 20 30 CFEDMN C=CC[C@H](NCc1cnc(Cl)n1C)c1ccncc1 ZINC000848537315 633281782 /nfs/dbraw/zinc/28/17/82/633281782.db2.gz DTPOHDLKXZQJCR-ZDUSSCGKSA-N 0 1 276.771 2.876 20 30 CFEDMN C[C@@H](NCc1cnc(Cl)n1C)c1cccc(C#N)c1 ZINC000848541642 633283516 /nfs/dbraw/zinc/28/35/16/633283516.db2.gz RZXOOGXPSRWQSU-SNVBAGLBSA-N 0 1 274.755 2.796 20 30 CFEDMN O=C(/C=C/c1cc2n(n1)CCCC2)c1cc(F)ccc1O ZINC000848640262 633306973 /nfs/dbraw/zinc/30/69/73/633306973.db2.gz KRZZKNOCKOPKEX-FNORWQNLSA-N 0 1 286.306 2.960 20 30 CFEDMN C#C[C@H](C)NCc1cn(-c2ccc(C)cc2)nc1C ZINC000848910772 633395429 /nfs/dbraw/zinc/39/54/29/633395429.db2.gz PWKNDJZQXMNSEN-ZDUSSCGKSA-N 0 1 253.349 2.600 20 30 CFEDMN C#CC[C@H]1CCC[N@H+](Cc2cccc(C(=O)[O-])c2)C1 ZINC000849344871 633622679 /nfs/dbraw/zinc/62/26/79/633622679.db2.gz ROVVKWANMXMRQB-ZDUSSCGKSA-N 0 1 257.333 2.620 20 30 CFEDMN C#CC[C@H]1CCC[N@H+](Cc2ccccc2C(=O)[O-])C1 ZINC000849344312 633622704 /nfs/dbraw/zinc/62/27/04/633622704.db2.gz IRLISEYZESCAGG-ZDUSSCGKSA-N 0 1 257.333 2.620 20 30 CFEDMN C#CC[C@@H]1CCC[N@H+](CCc2ccccc2C(=O)[O-])C1 ZINC000849344166 633622748 /nfs/dbraw/zinc/62/27/48/633622748.db2.gz CPQKSSZPQUTKFA-CQSZACIVSA-N 0 1 271.360 2.663 20 30 CFEDMN C#CC[C@H]1CCC[N@H+]([C@H](C(=O)[O-])c2ccccc2C)C1 ZINC000849344558 633622847 /nfs/dbraw/zinc/62/28/47/633622847.db2.gz OQPJUEJQSLRJBJ-HOCLYGCPSA-N 0 1 271.360 2.856 20 30 CFEDMN C#CC[C@H]1CCC[N@H+]([C@@H](C)c2ccc(C(=O)[O-])o2)C1 ZINC000849344656 633622891 /nfs/dbraw/zinc/62/28/91/633622891.db2.gz QPMTYXFNSKFXHV-RYUDHWBXSA-N 0 1 261.321 2.774 20 30 CFEDMN C=C(C)C(C)(C)C(=O)O[C@@H](C)c1n[nH]c(CC)n1 ZINC000849812382 633731909 /nfs/dbraw/zinc/73/19/09/633731909.db2.gz XUPVYENNRLSMFZ-VIFPVBQESA-N 0 1 251.330 2.574 20 30 CFEDMN C#C[C@@H](NCc1ccc(C2(C#N)CC2)cc1)[C@H]1CCCO1 ZINC000850250726 633913435 /nfs/dbraw/zinc/91/34/35/633913435.db2.gz CSXHOYWAADTBHC-IAGOWNOFSA-N 0 1 280.371 2.512 20 30 CFEDMN C#CCOc1ccc(CNCc2ccnn2CC2CC2)cc1 ZINC000850315982 633939325 /nfs/dbraw/zinc/93/93/25/633939325.db2.gz WSZDTJCZIHWYCE-UHFFFAOYSA-N 0 1 295.386 2.595 20 30 CFEDMN N#Cc1csc(CN[C@H]2C[C@@H](O)c3ccccc32)c1 ZINC000850371980 633962552 /nfs/dbraw/zinc/96/25/52/633962552.db2.gz NWTOOPMKHMEVCR-LSDHHAIUSA-N 0 1 270.357 2.888 20 30 CFEDMN C#C[C@H](N[C@H](C)c1ccc(C(F)F)nc1)[C@@H]1CCCO1 ZINC000850461207 634002314 /nfs/dbraw/zinc/00/23/14/634002314.db2.gz GTVKSVKRFFFCSC-OSMZGAPFSA-N 0 1 280.318 2.851 20 30 CFEDMN C#C[C@H](N[C@@H](C)c1cc2cnccc2o1)[C@@H]1CCCO1 ZINC000850462427 634003643 /nfs/dbraw/zinc/00/36/43/634003643.db2.gz QBKDOARLMXYTHY-WHOFXGATSA-N 0 1 270.332 2.659 20 30 CFEDMN CCCCCNC(=O)C(C#N)C(=O)[C@@H]1CCCC2(CC2)C1 ZINC000850752813 634079334 /nfs/dbraw/zinc/07/93/34/634079334.db2.gz TWWLWNPMBOBQJQ-ZIAGYGMSSA-N 0 1 290.407 2.972 20 30 CFEDMN COc1ccccc1NC(=O)C(C#N)C(=O)C1CC2(CC2)C1 ZINC000850760305 634081630 /nfs/dbraw/zinc/08/16/30/634081630.db2.gz XIPLHEGCTKIHDZ-GFCCVEGCSA-N 0 1 298.342 2.533 20 30 CFEDMN Cc1cccc(NC(=O)C(C#N)C(=O)[C@H]2C[C@H]3C[C@H]3C2)c1 ZINC000850757994 634081760 /nfs/dbraw/zinc/08/17/60/634081760.db2.gz WCYSCYRGRINNIU-UKTARXLSSA-N 0 1 282.343 2.689 20 30 CFEDMN CC(C)NC(=O)C(C#N)C(=O)[C@H]1CC[C@H](C2CCC2)CC1 ZINC000850762537 634081796 /nfs/dbraw/zinc/08/17/96/634081796.db2.gz YSINELNZRPZVTD-RBSFLKMASA-N 0 1 290.407 2.826 20 30 CFEDMN CC1(C)CC[C@@H]1C(=O)[C@@H](C#N)C(=O)NC1CCCCC1 ZINC000850757201 634081908 /nfs/dbraw/zinc/08/19/08/634081908.db2.gz HLQRCBXIOWRQTF-CHWSQXEVSA-N 0 1 276.380 2.580 20 30 CFEDMN N#C[C@H](C(=O)NC1CCCCC1)C(=O)[C@@H]1CCC[C@@H]2C[C@@H]21 ZINC000850757438 634082035 /nfs/dbraw/zinc/08/20/35/634082035.db2.gz KMJSEHSVTIQDRF-RZFFKMDDSA-N 0 1 288.391 2.580 20 30 CFEDMN N#CC(C(=O)NC1CCCC1)C(=O)C1CCC2(CC2)CC1 ZINC000850767440 634083391 /nfs/dbraw/zinc/08/33/91/634083391.db2.gz BBSBXGHTDIOAFJ-AWEZNQCLSA-N 0 1 288.391 2.724 20 30 CFEDMN CO[C@@H](C(=O)[C@@H](C#N)c1nc2cccc(C)c2[nH]1)C1CCC1 ZINC000850849438 634109997 /nfs/dbraw/zinc/10/99/97/634109997.db2.gz BJXQILHRAQTLAG-MLGOLLRUSA-N 0 1 297.358 2.863 20 30 CFEDMN Cc1cccc2nc([C@H](C#N)C(=O)[C@@H](C)CC#N)[nH]c21 ZINC000850850332 634110025 /nfs/dbraw/zinc/11/00/25/634110025.db2.gz UTSFCIUQRKPDKT-WDEREUQCSA-N 0 1 266.304 2.597 20 30 CFEDMN N#C[C@H](C(=O)C[C@@]12CCCC[C@@H]1C2(F)F)c1ccncn1 ZINC000850948342 634149620 /nfs/dbraw/zinc/14/96/20/634149620.db2.gz RJPNDTVKXIPHCY-BPNCWPANSA-N 0 1 291.301 2.868 20 30 CFEDMN N#C[C@@H](C(=O)CCCF)c1cnc2ccccc2n1 ZINC000850987337 634167835 /nfs/dbraw/zinc/16/78/35/634167835.db2.gz ZZZGIZRDTDIMHE-SNVBAGLBSA-N 0 1 257.268 2.556 20 30 CFEDMN C[C@H](CC#N)C(=O)C(C#N)=C(O)C1(c2ccccc2)CC1 ZINC000851109470 634226483 /nfs/dbraw/zinc/22/64/83/634226483.db2.gz KGJKSQDFUFSDHI-OCCSQVGLSA-N 0 1 280.327 2.546 20 30 CFEDMN COc1cc(C(=O)OCc2cc(C3CC3)[nH]n2)ccc1C#N ZINC000851119749 634232419 /nfs/dbraw/zinc/23/24/19/634232419.db2.gz YBAXQIJOLFMZNU-UHFFFAOYSA-N 0 1 297.314 2.524 20 30 CFEDMN CCCCCCCC[C@@H](C)C(=O)N1CCNCC1 ZINC000852791040 634838236 /nfs/dbraw/zinc/83/82/36/634838236.db2.gz WPHOGTBCIDGDFS-CQSZACIVSA-N 0 1 254.418 2.805 20 30 CFEDMN C=C(Br)CNCCC(=O)N(C)c1ccccc1 ZINC000853099697 634904178 /nfs/dbraw/zinc/90/41/78/634904178.db2.gz YDEDCEJMINHVLZ-UHFFFAOYSA-N 0 1 297.196 2.538 20 30 CFEDMN CC(Cc1ccc2c(c1)CCCC2)=Nn1cnnc1 ZINC000853253791 634952144 /nfs/dbraw/zinc/95/21/44/634952144.db2.gz DRGRNWXJFNGWHZ-UHFFFAOYSA-N 0 1 254.337 2.624 20 30 CFEDMN FC(F)(F)c1ccc(NN=Cc2cnn3c2CCC3)nc1 ZINC000853263052 634954609 /nfs/dbraw/zinc/95/46/09/634954609.db2.gz VNKHNEDEXAWEOF-UHFFFAOYSA-N 0 1 295.268 2.689 20 30 CFEDMN Cn1ncc(C2CCC2)c1C=NNc1ccccn1 ZINC000853268390 634956464 /nfs/dbraw/zinc/95/64/64/634956464.db2.gz BWNDQYLWYMOCSU-UHFFFAOYSA-N 0 1 255.325 2.529 20 30 CFEDMN COC[C@@H](C)Oc1ccc(C=NNc2ccccn2)cc1 ZINC000853269463 634956591 /nfs/dbraw/zinc/95/65/91/634956591.db2.gz VZNCRRKJBVGCKW-CYBMUJFWSA-N 0 1 285.347 2.941 20 30 CFEDMN O=c1c2ccccc2[nH]c(=S)n1N=C[C@@H]1C[C@H]2C[C@H]2C1 ZINC000853284260 634958441 /nfs/dbraw/zinc/95/84/41/634958441.db2.gz VNILBIPXUUMRDB-JGPRNRPPSA-N 0 1 285.372 2.565 20 30 CFEDMN Cc1ccc2cc(C=NNC3=N[C@@H]4CCCC[C@H]4N3)[nH]c2c1 ZINC000853324748 634969090 /nfs/dbraw/zinc/96/90/90/634969090.db2.gz MXEYCSYPESGDDV-HUUCEWRRSA-N 0 1 295.390 2.670 20 30 CFEDMN Cc1ccc2cc(C=NNC3=N[C@H]4CCCC[C@@H]4N3)[nH]c2c1 ZINC000853324747 634969393 /nfs/dbraw/zinc/96/93/93/634969393.db2.gz MXEYCSYPESGDDV-GJZGRUSLSA-N 0 1 295.390 2.670 20 30 CFEDMN COC(=O)c1ccccc1N=NCc1nccn1C(C)C ZINC000853328663 634970610 /nfs/dbraw/zinc/97/06/10/634970610.db2.gz VCSIIZVUVJOCAX-UHFFFAOYSA-N 0 1 286.335 2.697 20 30 CFEDMN COc1cc(C=NN2CCCC[C@@H]2C)cc([N+](=O)[O-])c1O ZINC000853379335 634987677 /nfs/dbraw/zinc/98/76/77/634987677.db2.gz NTYAKMNBYVUCGK-JTQLQIEISA-N 0 1 293.323 2.517 20 30 CFEDMN C[C@@H]1CCCCN1N=C1CCN(Cc2ccccn2)CC1 ZINC000853381208 634987970 /nfs/dbraw/zinc/98/79/70/634987970.db2.gz YFJMGQACDBWIIW-OAHLLOKOSA-N 0 1 286.423 2.908 20 30 CFEDMN C[C@H]1CC(N=Nc2ccnc(Cl)c2)c2nccn21 ZINC000853395380 634992409 /nfs/dbraw/zinc/99/24/09/634992409.db2.gz VEUUHDXBKMVQAP-QMMMGPOBSA-N 0 1 261.716 2.712 20 30 CFEDMN Cc1nc2c(s1)C(=NNc1ccncc1F)CCC2 ZINC000853401736 634994448 /nfs/dbraw/zinc/99/44/48/634994448.db2.gz BBXYCLAYVMMJIK-UHFFFAOYSA-N 0 1 276.340 2.560 20 30 CFEDMN Cc1nnc(NN=Cc2ccc(C(C)(C)C)s2)n1C ZINC000853433065 634998300 /nfs/dbraw/zinc/99/83/00/634998300.db2.gz VADNVERVQAXYFB-UHFFFAOYSA-N 0 1 277.397 2.929 20 30 CFEDMN C#CCCCOc1cccnc1N[C@H]1C[C@@H](C)[N@H+](C2CC2)C1 ZINC000853435281 634998454 /nfs/dbraw/zinc/99/84/54/634998454.db2.gz JMPBSXWTNAEGFK-CABCVRRESA-N 0 1 299.418 2.911 20 30 CFEDMN C=CC[C@@H]1CCCN(Cn2cnc(-c3ccccn3)n2)C1 ZINC000853536596 635031934 /nfs/dbraw/zinc/03/19/34/635031934.db2.gz FHUWWPOSCSWFRZ-CQSZACIVSA-N 0 1 283.379 2.586 20 30 CFEDMN C=CC[C@@H]1CCCN(CN2C[C@H](c3cccnc3)CC2=O)C1 ZINC000853537156 635032162 /nfs/dbraw/zinc/03/21/62/635032162.db2.gz QFNSNCWZMKEFGR-NVXWUHKLSA-N 0 1 299.418 2.643 20 30 CFEDMN C=C1C[C@H]2CC[C@@H](C1)N2CN1C(=O)[C@@H](C2CC2)[C@H]1C1CC1 ZINC000853598473 635045879 /nfs/dbraw/zinc/04/58/79/635045879.db2.gz RQSBDPTXJDJWSG-VVLHAWIVSA-N 0 1 286.419 2.774 20 30 CFEDMN C#CCCCOc1cccnc1NCc1n[nH]c(C(C)C)n1 ZINC000853653859 635061974 /nfs/dbraw/zinc/06/19/74/635061974.db2.gz RXIIZUCWAUIPPG-UHFFFAOYSA-N 0 1 299.378 2.727 20 30 CFEDMN C#Cc1cccnc1N1CCN(Cc2ccccc2)[C@@H](C)C1 ZINC000853689216 635075268 /nfs/dbraw/zinc/07/52/68/635075268.db2.gz DTAILIOMNDLEKX-INIZCTEOSA-N 0 1 291.398 2.774 20 30 CFEDMN CC(C)C#CC(=O)NCc1cc(Cl)cc(Cl)c1O ZINC000854475939 635312586 /nfs/dbraw/zinc/31/25/86/635312586.db2.gz YJACGSWVLWVJDT-UHFFFAOYSA-N 0 1 286.158 2.975 20 30 CFEDMN C=CCCCCCCCNC(=O)[C@@H]1CCCc2n[nH]nc21 ZINC000854499721 635318591 /nfs/dbraw/zinc/31/85/91/635318591.db2.gz JDKNOZSDABRWCF-CYBMUJFWSA-N 0 1 290.411 2.867 20 30 CFEDMN C=CCCONC(=O)[C@@]1(C)CCCc2ccccc21 ZINC000856031607 635706985 /nfs/dbraw/zinc/70/69/85/635706985.db2.gz WXQWHXBRWKBVPH-INIZCTEOSA-N 0 1 259.349 2.905 20 30 CFEDMN C=CCCONC(=O)[C@H](C)[C@@H]1OCCc2sccc21 ZINC000856035907 635710131 /nfs/dbraw/zinc/71/01/31/635710131.db2.gz NEFHVCGVRSNUSC-MFKMUULPSA-N 0 1 281.377 2.622 20 30 CFEDMN Cn1cc(CNCc2ccc(C#N)cc2)c(C(C)(C)C)n1 ZINC000158136078 650222020 /nfs/dbraw/zinc/22/20/20/650222020.db2.gz YYCQWAQJUJIHAB-UHFFFAOYSA-N 0 1 282.391 2.879 20 30 CFEDMN CC(=NNc1nc2cccnc2s1)c1cc2n(n1)CCC2 ZINC000857218881 635949125 /nfs/dbraw/zinc/94/91/25/635949125.db2.gz XRUAAJDMHMZFIG-UHFFFAOYSA-N 0 1 298.375 2.670 20 30 CFEDMN C#CC[C@@H](COC)NCc1cnc(C2CCCC2)s1 ZINC000858334673 636195343 /nfs/dbraw/zinc/19/53/43/636195343.db2.gz FMWRHJKZXFDMMK-ZDUSSCGKSA-N 0 1 278.421 2.929 20 30 CFEDMN CCN(CCC1CN(C(=O)OC(C)(C)C)C1)C[C@@H](C)C#N ZINC000859106042 636457459 /nfs/dbraw/zinc/45/74/59/636457459.db2.gz RJUDRIWOWFZVEI-ZDUSSCGKSA-N 0 1 295.427 2.725 20 30 CFEDMN C=CC[C@H]1CCN(Cc2cnn(-c3ccccc3)n2)C1 ZINC000859444429 636565045 /nfs/dbraw/zinc/56/50/45/636565045.db2.gz NQSMEVIWFVBTCI-AWEZNQCLSA-N 0 1 268.364 2.665 20 30 CFEDMN CCc1ccc(NC(=O)C(C#N)C(=O)c2conc2C)cc1 ZINC000860468462 636892768 /nfs/dbraw/zinc/89/27/68/636892768.db2.gz COOKZFPTJADFRW-CYBMUJFWSA-N 0 1 297.314 2.507 20 30 CFEDMN C=CCCCCCCNC(=O)N1CCNC[C@H]1C(C)C ZINC000861631355 637221927 /nfs/dbraw/zinc/22/19/27/637221927.db2.gz BFYSRGOMHQBVRR-HNNXBMFYSA-N 0 1 281.444 2.762 20 30 CFEDMN C#CCONC(=O)[C@@H](CCC)c1cccc(Cl)c1 ZINC000862184474 637285629 /nfs/dbraw/zinc/28/56/29/637285629.db2.gz RGIHUIIWZXPHCZ-ZDUSSCGKSA-N 0 1 265.740 2.905 20 30 CFEDMN CCCCCCCNC(=O)C(C)(C)NC(=O)C(F)(F)F ZINC000862356957 637330727 /nfs/dbraw/zinc/33/07/27/637330727.db2.gz JZXCWQMEACYGTB-UHFFFAOYSA-N 0 1 296.333 2.530 20 30 CFEDMN C#C[C@H](CC)NCc1ccc(F)c(F)c1N(C)C ZINC000862363916 637336200 /nfs/dbraw/zinc/33/62/00/637336200.db2.gz WGRMNSAIUVOFGO-LLVKDONJSA-N 0 1 252.308 2.532 20 30 CFEDMN C#CC[C@@H]1CC[N@H+](Cc2cccc(Br)c2[O-])C1 ZINC000862444777 637386031 /nfs/dbraw/zinc/38/60/31/637386031.db2.gz HBGHTASFJUYLTR-LLVKDONJSA-N 0 1 294.192 3.000 20 30 CFEDMN C#CC[C@H]1CCN(Cc2cnc3ccc(Cl)cn23)C1 ZINC000862445187 637387365 /nfs/dbraw/zinc/38/73/65/637387365.db2.gz NTDYRQFNLUQOJE-LBPRGKRZSA-N 0 1 273.767 2.833 20 30 CFEDMN CCCCCCCC(=O)N1CCN(CC(C)(C)O)[C@H](C)C1 ZINC000188725078 650343284 /nfs/dbraw/zinc/34/32/84/650343284.db2.gz RFNCSOKGXPUEGM-OAHLLOKOSA-N 0 1 298.471 2.651 20 30 CFEDMN CC[C@H](C)c1ccc(C(C)=NNC2=NC[C@H](C)N2)cc1 ZINC000863105254 637555443 /nfs/dbraw/zinc/55/54/43/637555443.db2.gz LCMULDUXADAUGC-RYUDHWBXSA-N 0 1 272.396 2.861 20 30 CFEDMN CC[C@@H](C)c1ccc(C(C)=NNC2=NC[C@H](C)N2)cc1 ZINC000863105252 637555717 /nfs/dbraw/zinc/55/57/17/637555717.db2.gz LCMULDUXADAUGC-NEPJUHHUSA-N 0 1 272.396 2.861 20 30 CFEDMN CCC(=NOCCOC(C)C)c1ccc(N)cc1 ZINC000863114856 637561299 /nfs/dbraw/zinc/56/12/99/637561299.db2.gz VSVZJAFYYUYKHA-UHFFFAOYSA-N 0 1 250.342 2.825 20 30 CFEDMN Cc1cnccc1NN=Cc1cnc(CC(C)C)s1 ZINC000863156772 637569820 /nfs/dbraw/zinc/56/98/20/637569820.db2.gz BHCQFSKFUOQCNP-UHFFFAOYSA-N 0 1 274.393 2.913 20 30 CFEDMN CCc1noc(C)c1C(C)=NNc1ccncc1C ZINC000863157077 637571276 /nfs/dbraw/zinc/57/12/76/637571276.db2.gz HIAUIUPFFVBKDX-UHFFFAOYSA-N 0 1 258.325 2.507 20 30 CFEDMN Cc1cccc(NN=Cc2ccnn2CC(C)C)n1 ZINC000863160463 637575589 /nfs/dbraw/zinc/57/55/89/637575589.db2.gz FZVWHNLDWXVDEL-UHFFFAOYSA-N 0 1 257.341 2.689 20 30 CFEDMN Cc1cccc([N-]N=Cc2c(C(F)(F)F)cnn2C)[nH+]1 ZINC000863160431 637575714 /nfs/dbraw/zinc/57/57/14/637575714.db2.gz DSDQYLFYLLZSHS-UHFFFAOYSA-N 0 1 283.257 2.588 20 30 CFEDMN C[C@@H]1CC(N=Nc2ccc(F)c(Cl)c2)C[N@H+]1C ZINC000863179026 637579380 /nfs/dbraw/zinc/57/93/80/637579380.db2.gz NVYAWBSABPMWDD-MRVPVSSYSA-N 0 1 255.724 2.971 20 30 CFEDMN CC(C)c1cc(C(=O)N(C)CCc2cccc(C#N)c2)n[nH]1 ZINC000863434809 637658157 /nfs/dbraw/zinc/65/81/57/637658157.db2.gz VXDCGGQQIJRSGR-UHFFFAOYSA-N 0 1 296.374 2.719 20 30 CFEDMN C=CCN(C(=O)c1c[nH]c2ccccc2c1=O)C(C)C ZINC000863941974 637818699 /nfs/dbraw/zinc/81/86/99/637818699.db2.gz OPIWQTYIWZUREJ-UHFFFAOYSA-N 0 1 270.332 2.565 20 30 CFEDMN C=CCCCN(C)Cn1cc(Br)cn1 ZINC000119743367 637822887 /nfs/dbraw/zinc/82/28/87/637822887.db2.gz QVWTZHRDTFNZDG-UHFFFAOYSA-N 0 1 258.163 2.501 20 30 CFEDMN N#CC(C(=O)C[C@@H]1CCCCO1)c1nc2ccccc2[nH]1 ZINC000119839629 637855660 /nfs/dbraw/zinc/85/56/60/637855660.db2.gz CSSOBYGPLRIMKH-RYUDHWBXSA-N 0 1 283.331 2.698 20 30 CFEDMN C=C(C)C[C@H]([NH2+]Cc1nc(C(C)(C)C)cs1)C(=O)[O-] ZINC000864529136 638013127 /nfs/dbraw/zinc/01/31/27/638013127.db2.gz CWIUZCVTYBTLRO-JTQLQIEISA-N 0 1 282.409 2.950 20 30 CFEDMN C=C(C)C[C@H]([NH2+]Cc1coc(-c2ccccc2)n1)C(=O)[O-] ZINC000864529734 638013246 /nfs/dbraw/zinc/01/32/46/638013246.db2.gz LQQLRCOGRFVPPH-AWEZNQCLSA-N 0 1 286.331 2.851 20 30 CFEDMN C#CCN1CCC(N(C)C(=O)[C@@]2(C)CC=C(C)CC2)CC1 ZINC001006433217 650391332 /nfs/dbraw/zinc/39/13/32/650391332.db2.gz BWDNIAQEBYJLTO-SFHVURJKSA-N 0 1 288.435 2.679 20 30 CFEDMN C=C(C)CN1CC[C@@H](NC(=O)c2cc(C)c(C)s2)C1 ZINC001016201607 651228025 /nfs/dbraw/zinc/22/80/25/651228025.db2.gz HEEBWBJZBXXGDL-CYBMUJFWSA-N 0 1 278.421 2.745 20 30 CFEDMN C=C(CC)CNCc1cccnc1Br ZINC000865593069 638447506 /nfs/dbraw/zinc/44/75/06/638447506.db2.gz HEWATNASOONYDS-UHFFFAOYSA-N 0 1 255.159 2.900 20 30 CFEDMN N#C[C@H]1CC[C@@H](NCc2cccnc2Br)C1 ZINC000865609815 638458443 /nfs/dbraw/zinc/45/84/43/638458443.db2.gz SMNJKKNNRLMWGK-GXSJLCMTSA-N 0 1 280.169 2.626 20 30 CFEDMN C#CCCOc1ccc(CNCc2conc2C)cc1 ZINC000865678227 638505903 /nfs/dbraw/zinc/50/59/03/638505903.db2.gz BAIKKPZTOLMONL-UHFFFAOYSA-N 0 1 270.332 2.675 20 30 CFEDMN C[C@@](CO)(Cc1ccccc1F)NCc1ccccc1C#N ZINC000865715591 638531819 /nfs/dbraw/zinc/53/18/19/638531819.db2.gz BSFVPWHGSHRNPI-SFHVURJKSA-N 0 1 298.361 2.781 20 30 CFEDMN C#CCCOc1ccc(CN[C@@H](C)c2ccnn2C)cc1 ZINC000865838859 638603465 /nfs/dbraw/zinc/60/34/65/638603465.db2.gz NYZZAVGKANNEBV-AWEZNQCLSA-N 0 1 283.375 2.673 20 30 CFEDMN N#Cc1ccc2c(c1)C[C@@H](NCc1ncc(Cl)s1)C2 ZINC000865847127 638610070 /nfs/dbraw/zinc/61/00/70/638610070.db2.gz HGXYQTTURGPRMR-LBPRGKRZSA-N 0 1 289.791 2.925 20 30 CFEDMN CCc1nc(CN[C@@H]2Cc3ccc(C#N)cc3C2)cs1 ZINC000865847488 638610585 /nfs/dbraw/zinc/61/05/85/638610585.db2.gz FPDLHILTERHJBN-CQSZACIVSA-N 0 1 283.400 2.834 20 30 CFEDMN C#CCN(Cc1ccc(F)cc1)C[C@@H]1CC[C@H](C)O1 ZINC000190455837 650434659 /nfs/dbraw/zinc/43/46/59/650434659.db2.gz IAUISQCNSASYRN-BBRMVZONSA-N 0 1 261.340 2.828 20 30 CFEDMN Cc1[nH]ncc1CN(C)c1cc(C(F)(F)F)cc(C#N)n1 ZINC000865901116 638649769 /nfs/dbraw/zinc/64/97/69/638649769.db2.gz MBVUBYZLGHJMON-UHFFFAOYSA-N 0 1 295.268 2.640 20 30 CFEDMN C#CCN(Cc1ccc(C#N)cc1OC)C1CCCC1 ZINC000121203667 638874067 /nfs/dbraw/zinc/87/40/67/638874067.db2.gz RPYBTQPHRCIIBG-UHFFFAOYSA-N 0 1 268.360 2.945 20 30 CFEDMN CCN(C(=O)[C@H]1NCCc2cc(C#N)ccc21)C1CCCC1 ZINC000867944396 638907439 /nfs/dbraw/zinc/90/74/39/638907439.db2.gz VPXYGULEEIWVHW-KRWDZBQOSA-N 0 1 297.402 2.536 20 30 CFEDMN N#Cc1ccc2c(c1)CCN[C@@H]2C(=O)NC1CCCCCC1 ZINC000867953146 638908573 /nfs/dbraw/zinc/90/85/73/638908573.db2.gz OGHNRVRLYVVSTM-KRWDZBQOSA-N 0 1 297.402 2.584 20 30 CFEDMN CN(CCC(C)(C)C)C(=O)[C@@H]1NCCc2cc(C#N)ccc21 ZINC000867981645 638910638 /nfs/dbraw/zinc/91/06/38/638910638.db2.gz WHRFXYXWHWXENG-MRXNPFEDSA-N 0 1 299.418 2.640 20 30 CFEDMN C[C@@H]1C[C@@H]1[C@@H]1C[C@@H]1C(=O)C(C#N)C(=O)Nc1ccccc1 ZINC000870137641 639527577 /nfs/dbraw/zinc/52/75/77/639527577.db2.gz YYHPAPZAGKDEDL-BFYSQQLMSA-N 0 1 282.343 2.626 20 30 CFEDMN CCOCCC1(C(=O)NOc2cccc(C#N)c2)CCC1 ZINC000870691666 639774649 /nfs/dbraw/zinc/77/46/49/639774649.db2.gz NXPKZGMBUAGCJY-UHFFFAOYSA-N 0 1 288.347 2.565 20 30 CFEDMN N#Cc1ccc2nc(NC(=O)CCC3CCOCC3)[nH]c2c1 ZINC000871071793 641185386 /nfs/dbraw/zinc/18/53/86/641185386.db2.gz FEZGJSIXIADACN-UHFFFAOYSA-N 0 1 298.346 2.580 20 30 CFEDMN CC[C@@H]1C[C@H](C(=O)Nc2nc3ccc(C#N)cc3[nH]2)CCO1 ZINC000871072153 641186282 /nfs/dbraw/zinc/18/62/82/641186282.db2.gz IIWPPSWSYVLAAT-VXGBXAGGSA-N 0 1 298.346 2.578 20 30 CFEDMN COCC1(C(=O)Nc2nc3ccc(C#N)cc3[nH]2)CCCC1 ZINC000871073256 641186938 /nfs/dbraw/zinc/18/69/38/641186938.db2.gz VIVOGAVSPBTREW-UHFFFAOYSA-N 0 1 298.346 2.580 20 30 CFEDMN C=C(C)[C@@H](CC(=O)Nc1nc2ccc(C#N)cc2[nH]1)OCC ZINC000871073003 641187171 /nfs/dbraw/zinc/18/71/71/641187171.db2.gz QDYDDXOZIYKTJM-CQSZACIVSA-N 0 1 298.346 2.744 20 30 CFEDMN N#Cc1ccc2nc(NC(=O)[C@@H]3CCC(F)(F)C3)[nH]c2c1 ZINC000871073379 641187703 /nfs/dbraw/zinc/18/77/03/641187703.db2.gz ZKDXBLWNFYDGDR-SECBINFHSA-N 0 1 290.273 2.808 20 30 CFEDMN N#Cc1ccc2nc(NC(=O)COCC3CCCC3)[nH]c2c1 ZINC000871073324 641188261 /nfs/dbraw/zinc/18/82/61/641188261.db2.gz XZBGWFXYJYYMAG-UHFFFAOYSA-N 0 1 298.346 2.580 20 30 CFEDMN C#Cc1ccc(C[N@@H+]2CCC[C@H](CCC(=O)[O-])C2)cc1 ZINC000871622079 641370659 /nfs/dbraw/zinc/37/06/59/641370659.db2.gz YOGFRRGHJPEJRF-OAHLLOKOSA-N 0 1 271.360 2.745 20 30 CFEDMN N#Cc1ccc2nc(-c3cnn(-c4ccccc4)n3)[nH]c2c1 ZINC000123743738 641405871 /nfs/dbraw/zinc/40/58/71/641405871.db2.gz ZXXQGBIDYVHTMM-UHFFFAOYSA-N 0 1 286.298 2.682 20 30 CFEDMN CC[C@@H](NC[C@@H](O)c1ccc(C#N)cc1)c1nccs1 ZINC000080304392 650661849 /nfs/dbraw/zinc/66/18/49/650661849.db2.gz CKAYIAKWICQGOF-ZIAGYGMSSA-N 0 1 287.388 2.789 20 30 CFEDMN C[C@H]1CCC2=NN(c3cc(C#N)cc(Cl)n3)C(=O)[C@@H]2C1 ZINC000871954520 641527306 /nfs/dbraw/zinc/52/73/06/641527306.db2.gz KGOTWTQPFFJXGT-WCBMZHEXSA-N 0 1 288.738 2.745 20 30 CFEDMN C=C(Cl)CN[C@H]1CCN(C(=O)c2cccc(C)c2)C1 ZINC001018455712 651271922 /nfs/dbraw/zinc/27/19/22/651271922.db2.gz DQBHCSKCOGASCR-AWEZNQCLSA-N 0 1 278.783 2.552 20 30 CFEDMN C=CCNC(=O)CN[C@H]1CC(C)(C)Sc2ccccc21 ZINC000872058270 641592349 /nfs/dbraw/zinc/59/23/49/641592349.db2.gz QEPWGVRKOBROGE-ZDUSSCGKSA-N 0 1 290.432 2.894 20 30 CFEDMN C#CC[C@@H]1CCC[N@H+]([C@H](C(=O)[O-])c2cccc(OC)c2)C1 ZINC000872160137 641680134 /nfs/dbraw/zinc/68/01/34/641680134.db2.gz BFRQPHDPJGBZCI-CJNGLKHVSA-N 0 1 287.359 2.556 20 30 CFEDMN CC(C)[C@H](N)c1noc(-c2sccc2CC#N)n1 ZINC000872170249 641689669 /nfs/dbraw/zinc/68/96/69/641689669.db2.gz FWKFKPHSNUHFPQ-VIFPVBQESA-N 0 1 262.338 2.520 20 30 CFEDMN CC1(C)[C@H]2[C@H](CCCN2Cc2cc(C#N)ccc2F)[C@@H]1O ZINC000872254945 641719065 /nfs/dbraw/zinc/71/90/65/641719065.db2.gz GNXPXTBARLXFMJ-IMJJTQAJSA-N 0 1 288.366 2.679 20 30 CFEDMN C#Cc1ccc(CN2CCO[C@H](C(F)F)CC2)cc1 ZINC000872256889 641721557 /nfs/dbraw/zinc/72/15/57/641721557.db2.gz DXLDZATZKCLPHT-AWEZNQCLSA-N 0 1 265.303 2.524 20 30 CFEDMN CCCCCCCCN1CCOC[C@@]12CCOC2 ZINC000193713828 650688413 /nfs/dbraw/zinc/68/84/13/650688413.db2.gz JRTRCJWQPKOVMV-HNNXBMFYSA-N 0 1 255.402 2.838 20 30 CFEDMN C[C@H]1C(N=Nc2ccc(C(F)(F)F)cn2)CCN1C ZINC000872327815 641757776 /nfs/dbraw/zinc/75/77/76/641757776.db2.gz KXSVMRPIKHZYDJ-QMMMGPOBSA-N 0 1 272.274 2.592 20 30 CFEDMN COc1c(C)cnc(C=NNc2cc(C)ccn2)c1C ZINC000872356678 641766311 /nfs/dbraw/zinc/76/63/11/641766311.db2.gz XEJDACKYCAWVEL-UHFFFAOYSA-N 0 1 270.336 2.856 20 30 CFEDMN COc1c(C)cnc(C=N[N-]c2cc(C)cc[nH+]2)c1C ZINC000872356678 641766319 /nfs/dbraw/zinc/76/63/19/641766319.db2.gz XEJDACKYCAWVEL-UHFFFAOYSA-N 0 1 270.336 2.856 20 30 CFEDMN Cc1cc(N=NC2C[C@H](C)c3ccccc32)nc(N)n1 ZINC000872420415 641805310 /nfs/dbraw/zinc/80/53/10/641805310.db2.gz FLCBXGYPMQFAQW-VIFPVBQESA-N 0 1 267.336 2.691 20 30 CFEDMN CCOc1cccc(C(C)=NN=c2cc(C)[nH]c(N)n2)c1 ZINC000872420836 641805634 /nfs/dbraw/zinc/80/56/34/641805634.db2.gz ZIJKDRLJBLQOFK-UHFFFAOYSA-N 0 1 285.351 2.602 20 30 CFEDMN COc1ccc(C(C)=NN=c2cc(C)[nH]c(N)n2)c(C)c1 ZINC000872421818 641806724 /nfs/dbraw/zinc/80/67/24/641806724.db2.gz ZFFVMOUWJIMVTD-UHFFFAOYSA-N 0 1 285.351 2.520 20 30 CFEDMN Cc1cc(=NN=Cc2ccc(C(C)(C)C#N)cc2)nc(N)[nH]1 ZINC000872421412 641807143 /nfs/dbraw/zinc/80/71/43/641807143.db2.gz JPHDEFNPYWQGHT-UHFFFAOYSA-N 0 1 294.362 2.614 20 30 CFEDMN C#CCCOC(=O)N1CCC[C@H](c2cc(C(C)C)[nH]n2)C1 ZINC000872525748 641843941 /nfs/dbraw/zinc/84/39/41/641843941.db2.gz SGSKQBADZBGMOZ-ZDUSSCGKSA-N 0 1 289.379 2.872 20 30 CFEDMN Cc1ccc2[nH]ncc2c1C(=O)OCCCCC#N ZINC000873488347 642218817 /nfs/dbraw/zinc/21/88/17/642218817.db2.gz JMYMXBHIEXVWJW-UHFFFAOYSA-N 0 1 257.293 2.722 20 30 CFEDMN CCCN1CCC[C@@H]1C(=O)Nc1cc(C#N)c(F)cc1C ZINC000874900772 642546889 /nfs/dbraw/zinc/54/68/89/642546889.db2.gz ULGSDKDZUHMOSH-OAHLLOKOSA-N 0 1 289.354 2.819 20 30 CFEDMN CC[C@](C)(C#N)NC(=O)C(F)(F)c1cc(F)cc(F)c1 ZINC000875483237 642628464 /nfs/dbraw/zinc/62/84/64/642628464.db2.gz UEZUNGQNFVWHBK-GFCCVEGCSA-N 0 1 288.244 2.865 20 30 CFEDMN CC[N@H+](Cc1ccc(F)c(F)c1[O-])C[C@@H](C)C#N ZINC000876617441 642947171 /nfs/dbraw/zinc/94/71/71/642947171.db2.gz OIHXKQKEYXFIST-VIFPVBQESA-N 0 1 254.280 2.652 20 30 CFEDMN CC(C)(C)CCCNC(=O)[C@@H]1NCCc2cc(C#N)ccc21 ZINC000876675893 642968536 /nfs/dbraw/zinc/96/85/36/642968536.db2.gz IDKZBTNBCZWZFB-MRXNPFEDSA-N 0 1 299.418 2.688 20 30 CFEDMN N#Cc1cccc(CN2CC[C@H]2Cc2ccccc2)n1 ZINC000876773558 643004119 /nfs/dbraw/zinc/00/41/19/643004119.db2.gz ABJDQTSAKCKLGW-KRWDZBQOSA-N 0 1 263.344 2.770 20 30 CFEDMN C#CCN(Cc1cnc(CCOC)s1)C1CCCC1 ZINC000876784726 643007619 /nfs/dbraw/zinc/00/76/19/643007619.db2.gz MZNOGIVVSBXLMA-UHFFFAOYSA-N 0 1 278.421 2.710 20 30 CFEDMN C#CCCCCCCN1CCC[C@H]1c1nncn1C ZINC000876782687 643008231 /nfs/dbraw/zinc/00/82/31/643008231.db2.gz YXMGYIMDPYJCLK-AWEZNQCLSA-N 0 1 260.385 2.536 20 30 CFEDMN N#Cc1ccc(O)c(NC(=O)Cc2ccc(F)c(F)c2)c1 ZINC000088401211 650812193 /nfs/dbraw/zinc/81/21/93/650812193.db2.gz XOIRNARDAXAAGS-UHFFFAOYSA-N 0 1 288.253 2.723 20 30 CFEDMN N#Cc1cnc(Cl)c(CNC[C@H]2Cc3ccccc3O2)c1 ZINC000876916189 643063124 /nfs/dbraw/zinc/06/31/24/643063124.db2.gz NISSEDSSNNOIGU-CQSZACIVSA-N 0 1 299.761 2.700 20 30 CFEDMN C=C(Cl)C[C@H](N)C(=O)Nc1ccc(C)c(C(C)=O)c1 ZINC000876954825 643078959 /nfs/dbraw/zinc/07/89/59/643078959.db2.gz PVWFOXAYMIARNA-ZDUSSCGKSA-N 0 1 280.755 2.606 20 30 CFEDMN N#Cc1cnc(Cl)c(CNCCOC2CCCC2)c1 ZINC000876985283 643093294 /nfs/dbraw/zinc/09/32/94/643093294.db2.gz XSKJBLHFXJONRA-UHFFFAOYSA-N 0 1 279.771 2.655 20 30 CFEDMN CCCCCCCNC(=O)[C@H](N)c1cccc(OC)c1 ZINC000876988395 643094079 /nfs/dbraw/zinc/09/40/79/643094079.db2.gz DLSCKGRKBVFBEE-OAHLLOKOSA-N 0 1 278.396 2.782 20 30 CFEDMN Cc1cc(N(C)C)ccc1CNCc1cccc(C#N)n1 ZINC000877032133 643111237 /nfs/dbraw/zinc/11/12/37/643111237.db2.gz ZNJVDHMMYXXZLL-UHFFFAOYSA-N 0 1 280.375 2.618 20 30 CFEDMN C=CC[C@@H](NCc1cc(OC)ns1)c1ccncc1 ZINC000877046198 643118827 /nfs/dbraw/zinc/11/88/27/643118827.db2.gz IMKYZHOBNCCKFT-CYBMUJFWSA-N 0 1 275.377 2.954 20 30 CFEDMN C[C@]1(NCc2cc(C#N)cnc2Cl)CCO[C@H]1C1CC1 ZINC000877317033 643235620 /nfs/dbraw/zinc/23/56/20/643235620.db2.gz UQZRIKMLCROQAB-ZFWWWQNUSA-N 0 1 291.782 2.654 20 30 CFEDMN CC(C)SCCNCc1cc(C#N)cnc1Cl ZINC000877522328 643326406 /nfs/dbraw/zinc/32/64/06/643326406.db2.gz NWJKPWZRWNPQNS-UHFFFAOYSA-N 0 1 269.801 2.838 20 30 CFEDMN C#C[C@H](N[C@@H](C)Cc1cnccn1)c1ccc(F)cc1 ZINC000877544544 643346532 /nfs/dbraw/zinc/34/65/32/643346532.db2.gz QTDCYPRMCISMQX-LRDDRELGSA-N 0 1 269.323 2.511 20 30 CFEDMN C#CCCCCCCN(C)[C@@H]1CC(C)(C)OC1=O ZINC000877548900 643349175 /nfs/dbraw/zinc/34/91/75/643349175.db2.gz WHKRCBQVVCNWEJ-CYBMUJFWSA-N 0 1 251.370 2.596 20 30 CFEDMN CO[C@@H]1C[C@@H](NCc2cc(C#N)cnc2Cl)C12CCC2 ZINC000877584427 643380418 /nfs/dbraw/zinc/38/04/18/643380418.db2.gz FPSJXLFLZPWBKL-CHWSQXEVSA-N 0 1 291.782 2.654 20 30 CFEDMN CO[C@@H]1C[C@H](NCc2cc(C#N)cnc2Cl)C12CCC2 ZINC000877584429 643380661 /nfs/dbraw/zinc/38/06/61/643380661.db2.gz FPSJXLFLZPWBKL-QWHCGFSZSA-N 0 1 291.782 2.654 20 30 CFEDMN C#CC1CCN(Cc2ccnn2CC2CCC2)CC1 ZINC000877606963 643395054 /nfs/dbraw/zinc/39/50/54/643395054.db2.gz RBCNYWYSABIQRY-UHFFFAOYSA-N 0 1 257.381 2.528 20 30 CFEDMN C[C@H](COCC1CC1)NCc1cc(C#N)cnc1Cl ZINC000877613463 643399409 /nfs/dbraw/zinc/39/94/09/643399409.db2.gz JISOQVMINLQMAX-SNVBAGLBSA-N 0 1 279.771 2.511 20 30 CFEDMN C=CC[C@H]1CCCN(Cc2ccc(Cl)nn2)C1 ZINC000877624100 643410315 /nfs/dbraw/zinc/41/03/15/643410315.db2.gz JPYUWBBETXSSCX-NSHDSACASA-N 0 1 251.761 2.918 20 30 CFEDMN C#C[C@@H](NCc1c(F)cccc1OCC)C1CCOCC1 ZINC000877636642 643419849 /nfs/dbraw/zinc/41/98/49/643419849.db2.gz ACPVMZNVXFZABW-MRXNPFEDSA-N 0 1 291.366 2.742 20 30 CFEDMN COC(=O)C[C@@](C)(NCc1cccc(F)c1C#N)C1CC1 ZINC000877704475 643471232 /nfs/dbraw/zinc/47/12/32/643471232.db2.gz IXINFXGOGLYXKJ-MRXNPFEDSA-N 0 1 290.338 2.519 20 30 CFEDMN CC(C)(C)OC(=O)N[C@H]1CCCN(CC2(CC#N)CC2)C1 ZINC000877989454 643682406 /nfs/dbraw/zinc/68/24/06/643682406.db2.gz UWSJBQGAFVZFQM-ZDUSSCGKSA-N 0 1 293.411 2.669 20 30 CFEDMN C=CC[C@H](C(=O)OC)N1CC[C@H](c2ccc(OC)cc2)C1 ZINC000878023494 643697241 /nfs/dbraw/zinc/69/72/41/643697241.db2.gz WUDSWSXDPFQNIA-GOEBONIOSA-N 0 1 289.375 2.602 20 30 CFEDMN C=CC[C@@H](C(=O)OC)N1CC[C@@H](c2ccc(OC)cc2)C1 ZINC000878023496 643697463 /nfs/dbraw/zinc/69/74/63/643697463.db2.gz WUDSWSXDPFQNIA-ZBFHGGJFSA-N 0 1 289.375 2.602 20 30 CFEDMN C=CC[C@@H](C(=O)OC)N1CCCc2ccccc2C1 ZINC000878084151 643727109 /nfs/dbraw/zinc/72/71/09/643727109.db2.gz BMFOLTRMGQQTFI-HNNXBMFYSA-N 0 1 259.349 2.553 20 30 CFEDMN C#CCCCCCN1CCN(c2ncc(C)s2)CC1 ZINC000878250850 643807784 /nfs/dbraw/zinc/80/77/84/643807784.db2.gz CHDBEUFISOPFLP-UHFFFAOYSA-N 0 1 277.437 2.767 20 30 CFEDMN C#CCCCCC[N@H+]1CCN(CC(F)F)[C@@H](CC)C1 ZINC000878330187 643844451 /nfs/dbraw/zinc/84/44/51/643844451.db2.gz CVSFVLRHQCWURL-AWEZNQCLSA-N 0 1 272.383 2.841 20 30 CFEDMN C[C@@H](CCO)N(Cc1ccc(C#N)o1)Cc1ccccc1 ZINC000878339583 643849607 /nfs/dbraw/zinc/84/96/07/643849607.db2.gz DAZZBPNVFCWPEE-AWEZNQCLSA-N 0 1 284.359 2.924 20 30 CFEDMN C#CCN(C)C[C@@H](O)c1ccc(Cl)c(Cl)c1 ZINC000878501151 643918018 /nfs/dbraw/zinc/91/80/18/643918018.db2.gz MFWHHLCFPWDJPR-GFCCVEGCSA-N 0 1 258.148 2.592 20 30 CFEDMN C=CC[C@@H](C)N1CCN(c2nc(F)c(F)cc2F)CC1 ZINC000878511012 643921049 /nfs/dbraw/zinc/92/10/49/643921049.db2.gz GPUXZBFPEOZHEP-SNVBAGLBSA-N 0 1 285.313 2.586 20 30 CFEDMN C#C[C@H](C)[N@@H+](C)C[C@@H](O)c1ccc(Cl)c(Cl)c1 ZINC000878517661 643924277 /nfs/dbraw/zinc/92/42/77/643924277.db2.gz UBXYEDSJVBFCPX-TVQRCGJNSA-N 0 1 272.175 2.980 20 30 CFEDMN C#C[C@H](C)N(C)C[C@@H](O)c1ccc(Cl)c(Cl)c1 ZINC000878517661 643924278 /nfs/dbraw/zinc/92/42/78/643924278.db2.gz UBXYEDSJVBFCPX-TVQRCGJNSA-N 0 1 272.175 2.980 20 30 CFEDMN C=CC[C@@H](C)N1CCc2c(nnn2-c2ccccc2)C1 ZINC000878648898 643973960 /nfs/dbraw/zinc/97/39/60/643973960.db2.gz VBRYRZJBNIKGHY-CYBMUJFWSA-N 0 1 268.364 2.590 20 30 CFEDMN C=CC(C)(C)CC(=O)Nc1cnn(-c2ccncc2)c1 ZINC000878651254 643974959 /nfs/dbraw/zinc/97/49/59/643974959.db2.gz XZSYEFDTURXWST-UHFFFAOYSA-N 0 1 270.336 2.808 20 30 CFEDMN C=CC(C)(C)CC(=O)Nc1ccn(-c2ccncc2)n1 ZINC000878846577 644048547 /nfs/dbraw/zinc/04/85/47/644048547.db2.gz LLSQIAFNNGVUNF-UHFFFAOYSA-N 0 1 270.336 2.808 20 30 CFEDMN C=CCN(Cc1ccc(C)c([N+](=O)[O-])c1)[C@H](C)COC ZINC000878890037 644063560 /nfs/dbraw/zinc/06/35/60/644063560.db2.gz QRSNCRAGKBNVMU-CYBMUJFWSA-N 0 1 278.352 2.926 20 30 CFEDMN CCCCCCCN(C)[C@@H](C)[C@H](C)S(C)(=O)=O ZINC000246948090 650890285 /nfs/dbraw/zinc/89/02/85/650890285.db2.gz JZANZZOQTXGGSE-STQMWFEESA-N 0 1 263.447 2.710 20 30 CFEDMN CCn1ncc(C(=O)Nc2cc(C#N)ccc2O)c1C1CC1 ZINC000879065456 644130426 /nfs/dbraw/zinc/13/04/26/644130426.db2.gz GGIOUZIAVDGBLY-UHFFFAOYSA-N 0 1 296.330 2.610 20 30 CFEDMN CC1(C)CC[C@H](CC(=O)Nc2cc(C#N)ccc2O)OC1 ZINC000879067997 644132126 /nfs/dbraw/zinc/13/21/26/644132126.db2.gz ZJZGSBBRTIDYPE-GFCCVEGCSA-N 0 1 288.347 2.798 20 30 CFEDMN C=CC(C)(C)CC(=O)Nc1ncc(C(F)(F)F)[nH]1 ZINC000879174872 644166473 /nfs/dbraw/zinc/16/64/73/644166473.db2.gz ZDJIOEDDLLCWBC-UHFFFAOYSA-N 0 1 261.247 2.969 20 30 CFEDMN CN(CCCOC(F)(F)F)[C@@H]1CCC[C@H]1C#N ZINC000879308787 644216977 /nfs/dbraw/zinc/21/69/77/644216977.db2.gz HGZRAXMCMVHATG-VHSXEESVSA-N 0 1 250.264 2.537 20 30 CFEDMN C=C(C)CN1CCC[C@H](NC(=O)c2c(C)coc2C)C1 ZINC001007253789 650905544 /nfs/dbraw/zinc/90/55/44/650905544.db2.gz CBNCTYHFVZHKSI-AWEZNQCLSA-N 0 1 276.380 2.667 20 30 CFEDMN COc1cccc(CN2CCN([C@@H]3CC[C@H](C#N)C3)CC2)c1 ZINC000879449928 644276588 /nfs/dbraw/zinc/27/65/88/644276588.db2.gz UNDMSLANHPBIJI-DOTOQJQBSA-N 0 1 299.418 2.505 20 30 CFEDMN C=C(C)[C@@H](CO)N[C@H](CC)c1cccc(OC)c1OC ZINC000879465091 644279852 /nfs/dbraw/zinc/27/98/52/644279852.db2.gz BHYALYJCXLQADH-ZIAGYGMSSA-N 0 1 279.380 2.682 20 30 CFEDMN C=CC[C@@H](C(=O)OC)N1CCC[C@H](OC2CCC2)CC1 ZINC000879472210 644282358 /nfs/dbraw/zinc/28/23/58/644282358.db2.gz TVNKIEQBLWTBFW-GJZGRUSLSA-N 0 1 281.396 2.528 20 30 CFEDMN C=CC(C)(C)CC(=O)N[C@H](Cc1nc[nH]n1)c1ccccc1 ZINC000879549029 644314025 /nfs/dbraw/zinc/31/40/25/644314025.db2.gz XQLRZORXQNTBKX-CQSZACIVSA-N 0 1 298.390 2.807 20 30 CFEDMN Cc1c(Cl)ccc2c1C[N@@H+](CCOCCC#N)CC2 ZINC000879768544 644417602 /nfs/dbraw/zinc/41/76/02/644417602.db2.gz GPIDPEJJKZQVIF-UHFFFAOYSA-N 0 1 278.783 2.937 20 30 CFEDMN Cc1c(Cl)ccc2c1CN(CCOCCC#N)CC2 ZINC000879768544 644417606 /nfs/dbraw/zinc/41/76/06/644417606.db2.gz GPIDPEJJKZQVIF-UHFFFAOYSA-N 0 1 278.783 2.937 20 30 CFEDMN CCCCCCCCN1CC[C@H]2CS(=O)(=O)C[C@H]2C1 ZINC000879934162 644465422 /nfs/dbraw/zinc/46/54/22/644465422.db2.gz YLANOHYXFABQFQ-LSDHHAIUSA-N 0 1 287.469 2.713 20 30 CFEDMN C[C@H]1CCc2[nH]ncc2[C@@H]1C(=O)NCC(C)(C)CCC#N ZINC000880005662 644496124 /nfs/dbraw/zinc/49/61/24/644496124.db2.gz OXYCEHGABDNAFZ-SMDDNHRTSA-N 0 1 288.395 2.522 20 30 CFEDMN COc1cc2c(cc1OC)[C@@H](C)N(CCCC#N)CC2 ZINC000880088628 644527048 /nfs/dbraw/zinc/52/70/48/644527048.db2.gz OVGSTAQDSOOHAW-GFCCVEGCSA-N 0 1 274.364 2.927 20 30 CFEDMN C=CCC(C)(C)CNC(=O)[C@H]1c2cn[nH]c2CC[C@@H]1C ZINC000880112230 644534972 /nfs/dbraw/zinc/53/49/72/644534972.db2.gz KZBRHNGUKFZSMB-SMDDNHRTSA-N 0 1 275.396 2.794 20 30 CFEDMN CC(C)(O)[C@@H]1CCN(CC#Cc2ccccc2Cl)C1 ZINC000880145416 644552813 /nfs/dbraw/zinc/55/28/13/644552813.db2.gz GGGHACIDDQMFHD-CQSZACIVSA-N 0 1 277.795 2.784 20 30 CFEDMN C=C(C)CCN1CCn2cnc(C(F)(F)F)c2C1 ZINC000880271423 644621610 /nfs/dbraw/zinc/62/16/10/644621610.db2.gz MFALBHHARFMTNF-UHFFFAOYSA-N 0 1 259.275 2.684 20 30 CFEDMN C[C@@H]1CC[C@H](CO)N1Cc1cc(Cl)ccc1OCC#N ZINC000880439405 644707526 /nfs/dbraw/zinc/70/75/26/644707526.db2.gz XQWZYKVCMGIETG-BXUZGUMPSA-N 0 1 294.782 2.588 20 30 CFEDMN C=CCCCCCNC(=O)[C@@H]1c2cn[nH]c2CC[C@@H]1C ZINC000880618748 644789405 /nfs/dbraw/zinc/78/94/05/644789405.db2.gz YCHJWBTXVZYUCR-WFASDCNBSA-N 0 1 275.396 2.938 20 30 CFEDMN Cc1cc(CNC(=O)Nc2ccc(C3CC3)c(C#N)c2)n[nH]1 ZINC000881124902 644912885 /nfs/dbraw/zinc/91/28/85/644912885.db2.gz YKRIRPUCUMTEHH-UHFFFAOYSA-N 0 1 295.346 2.789 20 30 CFEDMN CCc1cc(C)c(C(=O)C(C#N)C(=O)Nc2ccccn2)o1 ZINC000128873451 644929497 /nfs/dbraw/zinc/92/94/97/644929497.db2.gz ZUILLEAQXUZNNO-GFCCVEGCSA-N 0 1 297.314 2.507 20 30 CFEDMN C[C@@H]1C[C@@H]1C(=O)C(C#N)C(=O)Nc1ccc(Cl)cc1 ZINC000249710054 650965755 /nfs/dbraw/zinc/96/57/55/650965755.db2.gz CZISPGHDONARJA-ZHAHWJHGSA-N 0 1 276.723 2.643 20 30 CFEDMN C=CC[C@@H](Sc1nc2ccc(OC)cc2[nH]1)C(=O)OC ZINC000882021880 645178525 /nfs/dbraw/zinc/17/85/25/645178525.db2.gz LGSDZXZNEXEVEF-GFCCVEGCSA-N 0 1 292.360 2.781 20 30 CFEDMN C=CCCC[C@H](NC(=O)c1cnn[nH]1)c1ccccc1 ZINC000882234865 645249567 /nfs/dbraw/zinc/24/95/67/645249567.db2.gz ZINAPBDFQHNOMD-ZDUSSCGKSA-N 0 1 270.336 2.632 20 30 CFEDMN Cc1n[nH]c(C(C)C)c1C(=O)Nc1cccc(CC#N)n1 ZINC000882474140 645333093 /nfs/dbraw/zinc/33/30/93/645333093.db2.gz ZYJFJPXCXLOSGW-UHFFFAOYSA-N 0 1 283.335 2.555 20 30 CFEDMN C=CCSc1ccccc1C(=O)NC[C@@H]1CCN1CC ZINC000882490948 645341074 /nfs/dbraw/zinc/34/10/74/645341074.db2.gz AFIAKZAXILPOPW-ZDUSSCGKSA-N 0 1 290.432 2.789 20 30 CFEDMN CC[C@H]1CN(CCCOc2ccc(C#N)cc2)C[C@@H](C)O1 ZINC000252442737 651004556 /nfs/dbraw/zinc/00/45/56/651004556.db2.gz BCHAWXCHDLSQKL-ZBFHGGJFSA-N 0 1 288.391 2.826 20 30 CFEDMN C[C@@H]1C[C@H]1C(=O)C(C#N)C(=O)Nc1ccc(F)c(Cl)c1 ZINC000130200984 645471760 /nfs/dbraw/zinc/47/17/60/645471760.db2.gz OKIHUWPUQRSOLE-SZEHBUNVSA-N 0 1 294.713 2.782 20 30 CFEDMN C#Cc1ccc(CNCc2c(C)nc3sc(C)nn32)cc1 ZINC000883131968 645619035 /nfs/dbraw/zinc/61/90/35/645619035.db2.gz ASDPNNDXFAKIIE-UHFFFAOYSA-N 0 1 296.399 2.679 20 30 CFEDMN C=CCC[C@H](NCc1nnc(CC)s1)[C@@H]1CCCO1 ZINC000883223740 645674894 /nfs/dbraw/zinc/67/48/94/645674894.db2.gz WBVIZIFCOKKJSA-RYUDHWBXSA-N 0 1 281.425 2.704 20 30 CFEDMN C#CC1(NCc2cc(OC)c(OC)cc2F)CCCC1 ZINC000883361973 645768412 /nfs/dbraw/zinc/76/84/12/645768412.db2.gz QSDUTVNATMHDBY-UHFFFAOYSA-N 0 1 277.339 2.879 20 30 CFEDMN C#CC1(NCc2nc3ccccc3n2C)CCCC1 ZINC000883362582 645769655 /nfs/dbraw/zinc/76/96/55/645769655.db2.gz HYJSXLGIDVGREZ-UHFFFAOYSA-N 0 1 253.349 2.609 20 30 CFEDMN C=C(C)C[C@H](CO)NCc1csc(-c2ccccn2)n1 ZINC000883401780 645798670 /nfs/dbraw/zinc/79/86/70/645798670.db2.gz YDPLYVSVWKEKDS-GFCCVEGCSA-N 0 1 289.404 2.622 20 30 CFEDMN C=C(C)CN1CCC[C@@H](NC(=O)c2cc(C)cs2)C1 ZINC001007302121 651132485 /nfs/dbraw/zinc/13/24/85/651132485.db2.gz ZOOANSUROUMALJ-CYBMUJFWSA-N 0 1 278.421 2.827 20 30 CFEDMN N#Cc1cccc(-n2[nH]c(C3CCCC3)cc2=O)c1 ZINC000132855624 645974654 /nfs/dbraw/zinc/97/46/54/645974654.db2.gz JAHJPAFSXRUAPP-UHFFFAOYSA-N 0 1 253.305 2.841 20 30 CFEDMN C#CCN1CCC(N(C)C(=O)c2cc3ccccc3o2)CC1 ZINC001006368692 646010485 /nfs/dbraw/zinc/01/04/85/646010485.db2.gz FTYCOULCJITLFY-UHFFFAOYSA-N 0 1 296.370 2.602 20 30 CFEDMN CC(C)C(N)=NOCc1ccc(Br)cc1 ZINC000133640528 646199387 /nfs/dbraw/zinc/19/93/87/646199387.db2.gz AZXCWYLNCACIIA-UHFFFAOYSA-N 0 1 271.158 2.894 20 30 CFEDMN COc1ccc(N=NCc2cccc3c2CCOC3)nc1 ZINC000884452370 646366839 /nfs/dbraw/zinc/36/68/39/646366839.db2.gz NXZHBPSKMPYJEA-UHFFFAOYSA-N 0 1 283.331 2.609 20 30 CFEDMN COCc1c(C)cc(C)c(C=NNc2nccn2C)c1C ZINC000884458527 646368866 /nfs/dbraw/zinc/36/88/66/646368866.db2.gz HFFVVKSTUZLRHO-UHFFFAOYSA-N 0 1 286.379 2.938 20 30 CFEDMN Cc1nc(C2CCN(c3nc(C#N)ccc3C)CC2)[nH]c1C ZINC000884707180 646535460 /nfs/dbraw/zinc/53/54/60/646535460.db2.gz AZEDAIIGBSSARQ-UHFFFAOYSA-N 0 1 295.390 2.986 20 30 CFEDMN C#CCCCCCOC(=O)[C@H]1c2cn[nH]c2CC[C@H]1C ZINC000885255634 646649039 /nfs/dbraw/zinc/64/90/39/646649039.db2.gz XKSQUAPZFWUBBQ-IUODEOHRSA-N 0 1 274.364 2.812 20 30 CFEDMN C=CCN(Cc1cccs1)C[C@](C)(O)C(F)F ZINC000885932818 646772841 /nfs/dbraw/zinc/77/28/41/646772841.db2.gz COICCRBZKYIJQL-LBPRGKRZSA-N 0 1 261.337 2.752 20 30 CFEDMN C=CCN(Cc1ccccc1)C[C@@](C)(O)C(F)F ZINC000885937552 646774472 /nfs/dbraw/zinc/77/44/72/646774472.db2.gz CEOGODWRFCHKSW-CQSZACIVSA-N 0 1 255.308 2.691 20 30 CFEDMN CC(C)CCN(CCC#N)C[C@@H](O)CC1(C#N)CCC1 ZINC000886031007 646830159 /nfs/dbraw/zinc/83/01/59/646830159.db2.gz ZJCCKOIRAWJOCS-HNNXBMFYSA-N 0 1 277.412 2.693 20 30 CFEDMN Cc1csc([C@H](C)NC[C@@H](O)CC2(C#N)CCC2)n1 ZINC000886130113 646886665 /nfs/dbraw/zinc/88/66/65/646886665.db2.gz WEZQHMDFXCOCAN-RYUDHWBXSA-N 0 1 279.409 2.547 20 30 CFEDMN C#CCN1CCC[C@H](NCc2ncc(C(C)(C)C)s2)C1 ZINC000886211761 646923769 /nfs/dbraw/zinc/92/37/69/646923769.db2.gz XFWWGFLRUIHFAY-ZDUSSCGKSA-N 0 1 291.464 2.628 20 30 CFEDMN C#CCN1CCC[C@@H](NCc2csc(C(C)(C)C)n2)C1 ZINC000886213362 646924105 /nfs/dbraw/zinc/92/41/05/646924105.db2.gz RJGAJJKLXQAFDS-CYBMUJFWSA-N 0 1 291.464 2.628 20 30 CFEDMN C[C@@H]1CC(F)(F)CC[N@H+]1C[C@H](O)CC1(C#N)CCC1 ZINC000886300754 646959167 /nfs/dbraw/zinc/95/91/67/646959167.db2.gz OVJBKIUNQXWRQN-VXGBXAGGSA-N 0 1 272.339 2.551 20 30 CFEDMN C#CC[C@H]1CCN(Cc2nnc(-c3cccc(F)c3)o2)C1 ZINC000886358074 646986032 /nfs/dbraw/zinc/98/60/32/646986032.db2.gz PCOPUYNWYBGWLS-LBPRGKRZSA-N 0 1 285.322 2.721 20 30 CFEDMN C#CC[C@H]1CCN([C@H](C(=O)OCC)c2ccccc2)C1 ZINC000886363004 646987733 /nfs/dbraw/zinc/98/77/33/646987733.db2.gz XBGNAHKQCSNZFB-HOCLYGCPSA-N 0 1 271.360 2.636 20 30 CFEDMN Cc1csc(C[C@@H]2CCC[N@H+](CCO[C@H](C)C#N)C2)n1 ZINC000886691758 647113317 /nfs/dbraw/zinc/11/33/17/647113317.db2.gz LSIJRDBHYXQUTR-KGLIPLIRSA-N 0 1 293.436 2.635 20 30 CFEDMN C=CCN(CC=C)C(=O)CN[C@H]1CCc2c1cccc2F ZINC000886920910 647175351 /nfs/dbraw/zinc/17/53/51/647175351.db2.gz PQSLUYBKYXBFGK-INIZCTEOSA-N 0 1 288.366 2.603 20 30 CFEDMN Cc1ncc(C(=O)N2CCC(c3ccc(C#N)cc3)CC2)[nH]1 ZINC000887704704 647394579 /nfs/dbraw/zinc/39/45/79/647394579.db2.gz PSQYQTDDGSUTOK-UHFFFAOYSA-N 0 1 294.358 2.610 20 30 CFEDMN CC[C@@H]([NH2+]CC(C)(C)CN(C)C)c1cccc(C#N)c1[O-] ZINC000924527140 647987324 /nfs/dbraw/zinc/98/73/24/647987324.db2.gz PEDRZCKQXPEHGQ-OAHLLOKOSA-N 0 1 289.423 2.892 20 30 CFEDMN CC[C@H]([NH2+]CC(C)(C)CN(C)C)c1cccc(C#N)c1[O-] ZINC000924527139 647987561 /nfs/dbraw/zinc/98/75/61/647987561.db2.gz PEDRZCKQXPEHGQ-HNNXBMFYSA-N 0 1 289.423 2.892 20 30 CFEDMN COc1ccnc([C@@H](C)NCc2cccc(C#N)c2)c1 ZINC000924638312 648015315 /nfs/dbraw/zinc/01/53/15/648015315.db2.gz BPGPHLLASRJOGF-GFCCVEGCSA-N 0 1 267.332 2.813 20 30 CFEDMN COC1(OC)CC[C@@H]1N[C@H](CCC#N)c1ccccc1 ZINC000925601789 648235030 /nfs/dbraw/zinc/23/50/30/648235030.db2.gz OVCIGPWEANYPCB-CABCVRRESA-N 0 1 274.364 2.773 20 30 CFEDMN C[C@@H](NC[C@@]1(C(F)(F)F)CCCN1)c1ccc(C#N)cc1 ZINC000925857647 648346976 /nfs/dbraw/zinc/34/69/76/648346976.db2.gz VLCGPGVRHWBVEM-BXUZGUMPSA-N 0 1 297.324 2.893 20 30 CFEDMN C=CCNC(=O)CN[C@H](C)c1cc2ccccc2c(OC)c1 ZINC000925977954 648378427 /nfs/dbraw/zinc/37/84/27/648378427.db2.gz XMHAFOJQBVPGJO-CYBMUJFWSA-N 0 1 298.386 2.801 20 30 CFEDMN C=CCOCCN[C@H](C)c1cccc(Br)n1 ZINC000926114332 648408686 /nfs/dbraw/zinc/40/86/86/648408686.db2.gz DUSJJISWIPYJSG-SNVBAGLBSA-N 0 1 285.185 2.697 20 30 CFEDMN C#C[C@H](N[C@@H](C)c1ccc(C(C)(C)O)cc1)[C@@H]1CCCO1 ZINC000926210880 648435936 /nfs/dbraw/zinc/43/59/36/648435936.db2.gz QMKGBEFTFXWRAM-JQFCIGGWSA-N 0 1 287.403 2.745 20 30 CFEDMN C[C@H](CC(C)(C)C#N)NCc1ccccc1S(C)(=O)=O ZINC000926581704 648542171 /nfs/dbraw/zinc/54/21/71/648542171.db2.gz ARGWFZDLNHZMRV-GFCCVEGCSA-N 0 1 294.420 2.508 20 30 CFEDMN C=CC(C)(C)CCCN[C@@H](C)c1cc(CO)on1 ZINC000926821504 648628304 /nfs/dbraw/zinc/62/83/04/648628304.db2.gz JGHVADZTODDYSM-NSHDSACASA-N 0 1 252.358 2.810 20 30 CFEDMN C=C1CCC(CN[C@@H](c2nnc[nH]2)c2ccccn2)CC1 ZINC000926925859 648660995 /nfs/dbraw/zinc/66/09/95/648660995.db2.gz PECAEHOMMWDDQD-OAHLLOKOSA-N 0 1 283.379 2.625 20 30 CFEDMN CC(C)[C@H](N[C@H](C)c1cc(C#N)ccn1)c1cnn(C)c1 ZINC000927067500 648695767 /nfs/dbraw/zinc/69/57/67/648695767.db2.gz RJWAYUAITQEJES-WBMJQRKESA-N 0 1 283.379 2.735 20 30 CFEDMN C=CCC1(C(=O)NCc2cc(N(C)C)ccn2)CCCC1 ZINC000927698191 648816976 /nfs/dbraw/zinc/81/69/76/648816976.db2.gz WRXJNKPOSBDQRF-UHFFFAOYSA-N 0 1 287.407 2.900 20 30 CFEDMN C[C@H](Cc1cnc[nH]1)C(=O)Nc1ccc(CCC#N)cc1 ZINC000928401518 648906978 /nfs/dbraw/zinc/90/69/78/648906978.db2.gz ZDBKCFGODSZVPJ-GFCCVEGCSA-N 0 1 282.347 2.683 20 30 CFEDMN C#CCN1CCC(NC(=O)C[C@@H](C)CCC=C(C)C)CC1 ZINC000928648723 648938714 /nfs/dbraw/zinc/93/87/14/648938714.db2.gz ARZGADMCLLTDCS-INIZCTEOSA-N 0 1 290.451 2.973 20 30 CFEDMN C#CCN1CCC(NC(=O)C[C@@H]2CCCCC2(C)C)CC1 ZINC000928654515 648939142 /nfs/dbraw/zinc/93/91/42/648939142.db2.gz GBJMHHHCLPYJQX-HNNXBMFYSA-N 0 1 290.451 2.807 20 30 CFEDMN N#CC[C@H](NC(=O)c1ccc(O)c(Cl)c1)C(F)(F)F ZINC000928815670 648959642 /nfs/dbraw/zinc/95/96/42/648959642.db2.gz SQUYFSPBRONNCA-VIFPVBQESA-N 0 1 292.644 2.620 20 30 CFEDMN N#CC[C@H](NC(=O)C(F)(F)c1ccccc1)C(F)(F)F ZINC000928816344 648959711 /nfs/dbraw/zinc/95/97/11/648959711.db2.gz XWIBLZYWLWEROK-VIFPVBQESA-N 0 1 292.207 2.739 20 30 CFEDMN C[N@@H+](CCOc1ccc(F)cc1)Cc1cncc(C#N)c1 ZINC000929094928 648977706 /nfs/dbraw/zinc/97/77/06/648977706.db2.gz HRCRIBBVDOEJAN-UHFFFAOYSA-N 0 1 285.322 2.603 20 30 CFEDMN CN(CCOc1ccc(F)cc1)Cc1cncc(C#N)c1 ZINC000929094928 648977712 /nfs/dbraw/zinc/97/77/12/648977712.db2.gz HRCRIBBVDOEJAN-UHFFFAOYSA-N 0 1 285.322 2.603 20 30 CFEDMN Cc1cc(C)c(NC(=O)NCC#CCN(C)C)c(Cl)c1 ZINC000929258259 649016222 /nfs/dbraw/zinc/01/62/22/649016222.db2.gz QTXBEESSQJWMLP-UHFFFAOYSA-N 0 1 293.798 2.643 20 30 CFEDMN CC(F)(F)CCCN1CCN(c2cc(C#N)ccn2)CC1 ZINC000929269788 649019788 /nfs/dbraw/zinc/01/97/88/649019788.db2.gz NMUUVLNRKITPRE-UHFFFAOYSA-N 0 1 294.349 2.511 20 30 CFEDMN CC(F)(F)CCCN1CCN(c2ccc(C#N)cn2)CC1 ZINC000929327727 649032214 /nfs/dbraw/zinc/03/22/14/649032214.db2.gz MVQZUTHCEZRWHK-UHFFFAOYSA-N 0 1 294.349 2.511 20 30 CFEDMN N#Cc1cncc(CN2CC[C@@H]2Cc2ccccc2)c1 ZINC000929816156 649129141 /nfs/dbraw/zinc/12/91/41/649129141.db2.gz UBCKKZOMTMMGRU-QGZVFWFLSA-N 0 1 263.344 2.770 20 30 CFEDMN C[C@@H](CC#N)N(C)C[C@@H]1CN(C(=O)OC(C)(C)C)C[C@H]1C ZINC000929830600 649133866 /nfs/dbraw/zinc/13/38/66/649133866.db2.gz ICNSJYFXDZMZJU-HZSPNIEDSA-N 0 1 295.427 2.723 20 30 CFEDMN COC(=O)/C=C(/C)CN1CC=C(c2ccc(C#N)cc2)CC1 ZINC000930157116 649195249 /nfs/dbraw/zinc/19/52/49/649195249.db2.gz BHODMVXDSHHBGO-KAMYIIQDSA-N 0 1 296.370 2.767 20 30 CFEDMN COc1ccc([C@H](C)NCc2cncc(C#N)c2)cc1F ZINC000930186578 649201845 /nfs/dbraw/zinc/20/18/45/649201845.db2.gz ZVNWWWSTSRNGOI-NSHDSACASA-N 0 1 285.322 2.952 20 30 CFEDMN CC[C@@H](NC[C@H](O)CC#N)c1ccccc1OC(F)F ZINC000930200780 649206035 /nfs/dbraw/zinc/20/60/35/649206035.db2.gz MYWMFFFUTUAVHF-ZYHUDNBSSA-N 0 1 284.306 2.603 20 30 CFEDMN N#Cc1cncc(C[N@H+]2CC[C@H](Oc3ccccc3)C2)c1 ZINC000930809941 649328516 /nfs/dbraw/zinc/32/85/16/649328516.db2.gz MFXXMFQFCXVHDR-KRWDZBQOSA-N 0 1 279.343 2.607 20 30 CFEDMN N#Cc1cncc(CN2CC[C@H](Oc3ccccc3)C2)c1 ZINC000930809941 649328517 /nfs/dbraw/zinc/32/85/17/649328517.db2.gz MFXXMFQFCXVHDR-KRWDZBQOSA-N 0 1 279.343 2.607 20 30 CFEDMN C[C@@H]1CN(C[C@H](O)CC#N)CCc2ccc(Cl)cc21 ZINC000930849144 649335077 /nfs/dbraw/zinc/33/50/77/649335077.db2.gz KMAIKTCLEMETBE-BXUZGUMPSA-N 0 1 278.783 2.576 20 30 CFEDMN COc1ccc([C@H](NC[C@H](O)CC#N)c2ccccc2)cc1 ZINC000930929552 649351924 /nfs/dbraw/zinc/35/19/24/649351924.db2.gz RJVNJNNFKPPYJP-SJLPKXTDSA-N 0 1 296.370 2.649 20 30 CFEDMN C=CC[N@H+](C[C@H](C)C(=O)c1ccc([O-])cc1)[C@@H](C)COC ZINC000930932393 649353135 /nfs/dbraw/zinc/35/31/35/649353135.db2.gz KCQCSHLOQOUIPI-KBPBESRZSA-N 0 1 291.391 2.734 20 30 CFEDMN C=CC[N@@H+](C[C@H](C)C(=O)c1ccc([O-])cc1)[C@@H](C)COC ZINC000930932393 649353138 /nfs/dbraw/zinc/35/31/38/649353138.db2.gz KCQCSHLOQOUIPI-KBPBESRZSA-N 0 1 291.391 2.734 20 30 CFEDMN C[C@H]1CN(Cc2ccc(CC#N)cc2)Cc2c[nH]nc21 ZINC000931460837 649433085 /nfs/dbraw/zinc/43/30/85/649433085.db2.gz NALJKLMIVTVTQH-LBPRGKRZSA-N 0 1 266.348 2.595 20 30 CFEDMN Cc1ncc([C@@H](C)NCc2cncc(C#N)c2)s1 ZINC000931468344 649435579 /nfs/dbraw/zinc/43/55/79/649435579.db2.gz XDYHBFGAUVUOFB-SECBINFHSA-N 0 1 258.350 2.569 20 30 CFEDMN C=CCC[C@H](O)CN1CCc2nc[nH]c2[C@H]1c1ccccc1 ZINC000931795375 649491009 /nfs/dbraw/zinc/49/10/09/649491009.db2.gz WFDQDGHLOBTVLM-MAUKXSAKSA-N 0 1 297.402 2.684 20 30 CFEDMN Cc1nc([C@@H]2CC[N@H+]([C@H](C)c3cccc(C#N)c3)C2)no1 ZINC000931936699 649515942 /nfs/dbraw/zinc/51/59/42/649515942.db2.gz FKCCMIUVPUBWAU-IAQYHMDHSA-N 0 1 282.347 2.800 20 30 CFEDMN C#CC[N@@H+](C)CCCNC(=O)Nc1ccc2occc2c1 ZINC000932031135 649526399 /nfs/dbraw/zinc/52/63/99/649526399.db2.gz CUNVFURMNHXXDB-UHFFFAOYSA-N 0 1 285.347 2.509 20 30 CFEDMN Cn1ccc(C2CCN(CC#Cc3ccc(F)cc3)CC2)n1 ZINC000932143706 649550026 /nfs/dbraw/zinc/55/00/26/649550026.db2.gz GBSJXWNKEMSFRE-UHFFFAOYSA-N 0 1 297.377 2.790 20 30 CFEDMN Cn1nccc1[C@@H]1CCCN1CCOc1ccc(C#N)cc1 ZINC000932273808 649573177 /nfs/dbraw/zinc/57/31/77/649573177.db2.gz WCAUBJCQAGVTNA-KRWDZBQOSA-N 0 1 296.374 2.508 20 30 CFEDMN C=CCN(CC=C)C(=O)[C@H](C)N[C@@H](c1ccccn1)C1CC1 ZINC000932377201 649587594 /nfs/dbraw/zinc/58/75/94/649587594.db2.gz DNLKTYLLMHNMDW-WMLDXEAASA-N 0 1 299.418 2.711 20 30 CFEDMN C#CCC1(NCc2nc(-c3ccccn3)no2)CCCCC1 ZINC000933267568 649683972 /nfs/dbraw/zinc/68/39/72/649683972.db2.gz KIDHGHNWMFYZGX-UHFFFAOYSA-N 0 1 296.374 2.947 20 30 CFEDMN C=C(C)[C@@H](CO)N[C@H](C)c1cc(Cl)cc2c1OCC2 ZINC000933270555 649684339 /nfs/dbraw/zinc/68/43/39/649684339.db2.gz CYAUNAPYNBEWKE-QMTHXVAHSA-N 0 1 281.783 2.863 20 30 CFEDMN C#CCC1(N[C@H](C(=O)NC2CC2)c2ccccc2)CCC1 ZINC000933299952 649686219 /nfs/dbraw/zinc/68/62/19/649686219.db2.gz MUUIYJSNIWMDQO-INIZCTEOSA-N 0 1 282.387 2.542 20 30 CFEDMN C[C@@H](c1cccc(C#N)c1)N(C)Cc1cccc(=O)[nH]1 ZINC000933400676 649691645 /nfs/dbraw/zinc/69/16/45/649691645.db2.gz ZCGMVJXTTLTRCY-LBPRGKRZSA-N 0 1 267.332 2.852 20 30 CFEDMN Cc1nc([C@@H](C)N2CCC(c3ccc(C#N)cc3)CC2)n[nH]1 ZINC000933608173 649705729 /nfs/dbraw/zinc/70/57/29/649705729.db2.gz XCRKHSLTHAPLAN-GFCCVEGCSA-N 0 1 295.390 2.925 20 30 CFEDMN CCOC(=O)/C=C/CN1CCC(c2ccc(C#N)cc2)CC1 ZINC000933607558 649705842 /nfs/dbraw/zinc/70/58/42/649705842.db2.gz SBNFQLROCCLYIU-ONEGZZNKSA-N 0 1 298.386 2.857 20 30 CFEDMN CCN(CC)C(=O)CN1CCC(c2ccc(C#N)cc2)CC1 ZINC000933614695 649706698 /nfs/dbraw/zinc/70/66/98/649706698.db2.gz RRZCHFINVFYFRB-UHFFFAOYSA-N 0 1 299.418 2.606 20 30 CFEDMN N#Cc1ccc([C@@H]2CN(C3CCCC3)CCO2)cc1 ZINC000933629570 649708335 /nfs/dbraw/zinc/70/83/35/649708335.db2.gz PXIFIAWBKHXYPL-INIZCTEOSA-N 0 1 256.349 2.874 20 30 CFEDMN Cc1ccc(F)cc1CN1CCC2(CC1)CC(=O)C=CO2 ZINC000933646081 649709519 /nfs/dbraw/zinc/70/95/19/649709519.db2.gz FZDJWGKQZFAPFT-UHFFFAOYSA-N 0 1 289.350 2.972 20 30 CFEDMN Cc1cc(F)ccc1CN1CCC2(CC1)CC(=O)C=CO2 ZINC000933646833 649710124 /nfs/dbraw/zinc/71/01/24/649710124.db2.gz PXZFTSNBLPMTCO-UHFFFAOYSA-N 0 1 289.350 2.972 20 30 CFEDMN C[C@@H](c1ccc(C#N)cc1)N1CCC2(CC1)CC(=O)C=CO2 ZINC000933652408 649710276 /nfs/dbraw/zinc/71/02/76/649710276.db2.gz WMRUBVAHASDIBG-AWEZNQCLSA-N 0 1 296.370 2.957 20 30 CFEDMN CN(Cc1cc(C#N)cs1)C[C@@H](O)c1ccccc1F ZINC000933776479 649720850 /nfs/dbraw/zinc/72/08/50/649720850.db2.gz ZVMIIXVDEKETOX-OAHLLOKOSA-N 0 1 290.363 2.924 20 30 CFEDMN C=C[C@@H](C)ONC(=O)Nc1ccnc(N2CCCCC2)c1 ZINC000934085590 649746428 /nfs/dbraw/zinc/74/64/28/649746428.db2.gz VKQGWBMJKVQSCI-GFCCVEGCSA-N 0 1 290.367 2.700 20 30 CFEDMN C=CC[C@@H]1CCN1[C@@H](C)C(=O)N(CCC#N)c1ccccc1 ZINC000934463905 649788834 /nfs/dbraw/zinc/78/88/34/649788834.db2.gz DIUNMKSXDHAGPD-JKSUJKDBSA-N 0 1 297.402 2.972 20 30 CFEDMN C=CC[C@@H]1CCN1CC(=O)N[C@@H](C)c1ccccc1OC ZINC000934470050 649790208 /nfs/dbraw/zinc/79/02/08/649790208.db2.gz CAIUFBGJOSGPMH-UONOGXRCSA-N 0 1 288.391 2.523 20 30 CFEDMN C=CC[C@H]1CCN1[C@@H](C)C(=O)NCCc1ccccc1C ZINC000934471163 649790576 /nfs/dbraw/zinc/79/05/76/649790576.db2.gz HRQOXFFDDMCWRU-RDJZCZTQSA-N 0 1 286.419 2.693 20 30 CFEDMN C=CC[C@H]1CCN1C[C@@H](O)c1c(F)cccc1F ZINC000934472056 649791181 /nfs/dbraw/zinc/79/11/81/649791181.db2.gz YKBONDSOVSMCMZ-GXFFZTMASA-N 0 1 253.292 2.649 20 30 CFEDMN C=CC[C@@H]1CCN1[C@H](C)C(=O)N(C)C1CCCCC1 ZINC000934472896 649791519 /nfs/dbraw/zinc/79/15/19/649791519.db2.gz RBQMFRJVUYHNGG-UKRRQHHQSA-N 0 1 264.413 2.816 20 30 CFEDMN C=CCCN1C[C@@H](C)N(CC(F)(F)F)[C@@H](C)C1 ZINC000934792146 649832471 /nfs/dbraw/zinc/83/24/71/649832471.db2.gz WAFWMBKRHQXYRR-PHIMTYICSA-N 0 1 250.308 2.519 20 30 CFEDMN C=CCN1CCC[C@H](NC(=O)CC2=CCCCC2)C1 ZINC001006938771 651129881 /nfs/dbraw/zinc/12/98/81/651129881.db2.gz MOMRGRDJSFPBPI-HNNXBMFYSA-N 0 1 262.397 2.644 20 30 CFEDMN C=C(C)CN1CCC[C@@H](NC(=O)[C@@H]2C[C@@H]3C=C[C@H]2CC3)C1 ZINC001007380273 651133093 /nfs/dbraw/zinc/13/30/93/651133093.db2.gz PDLJMHIKTZGIPS-YYIAUSFCSA-N 0 1 288.435 2.745 20 30 CFEDMN C=C(C)CN1CCC[C@@H](NC(=O)c2ccnc(C3CC3)c2)C1 ZINC001007817052 651139140 /nfs/dbraw/zinc/13/91/40/651139140.db2.gz XNQJVXIAAYQEFU-MRXNPFEDSA-N 0 1 299.418 2.729 20 30 CFEDMN C=CCN1CCC[C@@H](NC(=O)C2CCC3(CC3)CC2)C1 ZINC001007974793 651140840 /nfs/dbraw/zinc/14/08/40/651140840.db2.gz YDQWOJNYHIRIBK-OAHLLOKOSA-N 0 1 276.424 2.723 20 30 CFEDMN C=CCN1CCC[C@H](NC(=O)C2(C3CCC3)CCC2)C1 ZINC001008082500 651141822 /nfs/dbraw/zinc/14/18/22/651141822.db2.gz IKPDKEXNQGBOJE-HNNXBMFYSA-N 0 1 276.424 2.723 20 30 CFEDMN C=C(C)CN1CCC[C@H](NC(=O)c2ccc3[nH]ccc3c2)C1 ZINC001008366121 651146986 /nfs/dbraw/zinc/14/69/86/651146986.db2.gz PUTZJYXVLMFFAR-INIZCTEOSA-N 0 1 297.402 2.938 20 30 CFEDMN C=CCN1CCC[C@@H](NC(=O)c2ccc3[nH]ccc3c2)C1 ZINC001008367235 651147073 /nfs/dbraw/zinc/14/70/73/651147073.db2.gz UHEPBMXHOXCRPW-OAHLLOKOSA-N 0 1 283.375 2.548 20 30 CFEDMN C=CCN1CCC[C@H](NC(=O)[C@@H]2CCCC(F)(F)C2)C1 ZINC001008499903 651150113 /nfs/dbraw/zinc/15/01/13/651150113.db2.gz KNKZFXIMEJRRKL-OLZOCXBDSA-N 0 1 286.366 2.579 20 30 CFEDMN C=C(C)CN1CCC[C@H](NC(=O)C2Cc3ccccc3C2)C1 ZINC001008645702 651151617 /nfs/dbraw/zinc/15/16/17/651151617.db2.gz NDVNQJOQARYIMR-SFHVURJKSA-N 0 1 298.430 2.558 20 30 CFEDMN C#CCCN1CCC[C@@H](NC(=O)c2cc(Cl)cs2)C1 ZINC001008759587 651153074 /nfs/dbraw/zinc/15/30/74/651153074.db2.gz GBKHQCDYHHNWNE-GFCCVEGCSA-N 0 1 296.823 2.619 20 30 CFEDMN C=C(C)CN1CCC[C@H](NC(=O)[C@@H](C)c2ccc(C)o2)C1 ZINC001008788341 651153469 /nfs/dbraw/zinc/15/34/69/651153469.db2.gz HJWUZSGADVHLMJ-GJZGRUSLSA-N 0 1 290.407 2.848 20 30 CFEDMN C=CCN1CCC[C@H](NC(=O)c2ccc(C)cc2C)C1 ZINC001009392614 651160318 /nfs/dbraw/zinc/16/03/18/651160318.db2.gz BVPQVISUAYFFBI-HNNXBMFYSA-N 0 1 272.392 2.684 20 30 CFEDMN C=C(C)CN1CCC[C@H](NC(=O)c2cc(F)cc(F)c2)C1 ZINC001009425227 651160928 /nfs/dbraw/zinc/16/09/28/651160928.db2.gz NUPIHKQEFFXPOB-HNNXBMFYSA-N 0 1 294.345 2.735 20 30 CFEDMN C=CCN1CCC[C@@H](NC(=O)[C@H]2CCCCC2(C)C)C1 ZINC001009664764 651163540 /nfs/dbraw/zinc/16/35/40/651163540.db2.gz XPCJZXRONTWMDG-HUUCEWRRSA-N 0 1 278.440 2.969 20 30 CFEDMN C=C(C)CN1CCC[C@H](NC(=O)[C@H]2CC3CCC2CC3)C1 ZINC001009653549 651163642 /nfs/dbraw/zinc/16/36/42/651163642.db2.gz YJSWPIDEWYVOHA-GQGLESIBSA-N 0 1 290.451 2.969 20 30 CFEDMN C=CCN1CC[C@H](NC(=O)Cc2ccc(C)cc2Cl)C1 ZINC001014985714 651194639 /nfs/dbraw/zinc/19/46/39/651194639.db2.gz YCVJJUBIFFTKMP-AWEZNQCLSA-N 0 1 292.810 2.567 20 30 CFEDMN C=C(C)CN1CC[C@@H](NC(=O)C(C)(C)C2CCC2)C1 ZINC001015407779 651199909 /nfs/dbraw/zinc/19/99/09/651199909.db2.gz LIAMKTWUZZQTEU-CQSZACIVSA-N 0 1 264.413 2.579 20 30 CFEDMN C=CCN1CC[C@H](NC(=O)c2cc(C)ccc2C2CC2)C1 ZINC001015382047 651200092 /nfs/dbraw/zinc/20/00/92/651200092.db2.gz LSGVPAOJJKXBGZ-HNNXBMFYSA-N 0 1 284.403 2.863 20 30 CFEDMN C=CCN1CC[C@H](NC(=O)[C@@H]2C[C@H]2c2ccccc2CC)C1 ZINC001015623165 651206301 /nfs/dbraw/zinc/20/63/01/651206301.db2.gz PRSXKCGHXMMVAA-RYQLBKOJSA-N 0 1 298.430 2.729 20 30 CFEDMN C=C(C)CN1CC[C@H](NC(=O)c2ccc(F)c(C)c2)C1 ZINC001015632110 651206631 /nfs/dbraw/zinc/20/66/31/651206631.db2.gz RADZHXSCVQUCFU-AWEZNQCLSA-N 0 1 276.355 2.514 20 30 CFEDMN C=CCN1CC[C@H](NC(=O)c2c(C)cccc2Cl)C1 ZINC001015656185 651208144 /nfs/dbraw/zinc/20/81/44/651208144.db2.gz IZTSJGKHWDEJHE-LBPRGKRZSA-N 0 1 278.783 2.639 20 30 CFEDMN C=Cc1ccc(C(=O)N[C@H]2CCN(CC(=C)C)C2)cc1 ZINC001015740623 651211576 /nfs/dbraw/zinc/21/15/76/651211576.db2.gz ZVHXDBZDBHQSTO-INIZCTEOSA-N 0 1 270.376 2.710 20 30 CFEDMN C=CCN1CC[C@@H](NC(=O)[C@@H]2C[C@H]2c2ccc(C)c(C)c2)C1 ZINC001015809544 651214707 /nfs/dbraw/zinc/21/47/07/651214707.db2.gz QIVBODPEOVPWIW-FGTMMUONSA-N 0 1 298.430 2.783 20 30 CFEDMN C=C(C)CN1CC[C@H](NC(=O)c2cc(CC)c(CC)o2)C1 ZINC001016000680 651220450 /nfs/dbraw/zinc/22/04/50/651220450.db2.gz DGEGTTQWXSMFOO-AWEZNQCLSA-N 0 1 290.407 2.785 20 30 CFEDMN C=C(C)CN1CC[C@H](NC(=O)c2ccccc2Cl)C1 ZINC001016066161 651222564 /nfs/dbraw/zinc/22/25/64/651222564.db2.gz LRYKWYRSCRGAHN-LBPRGKRZSA-N 0 1 278.783 2.720 20 30 CFEDMN C=CCN1CC[C@@H](NC(=O)c2ccsc2C(F)F)C1 ZINC001016124635 651224754 /nfs/dbraw/zinc/22/47/54/651224754.db2.gz WZKFRKLNAREKFL-SECBINFHSA-N 0 1 286.347 2.676 20 30 CFEDMN C=CCN1CC[C@@H](NC(=O)C2(C3CCCCC3)CC2)C1 ZINC001016113373 651224779 /nfs/dbraw/zinc/22/47/79/651224779.db2.gz JXPHNIQSVISHDC-OAHLLOKOSA-N 0 1 276.424 2.723 20 30 CFEDMN C=CCN1CC[C@H](NC(=O)c2coc3ccc(F)cc23)C1 ZINC001016123296 651224942 /nfs/dbraw/zinc/22/49/42/651224942.db2.gz LYUUFWWWZNTTGG-LBPRGKRZSA-N 0 1 288.322 2.562 20 30 CFEDMN C#CCCN1CC[C@H](NC(=O)c2oc3ccccc3c2C)C1 ZINC001016180324 651227045 /nfs/dbraw/zinc/22/70/45/651227045.db2.gz JARKVDHWRLEASI-AWEZNQCLSA-N 0 1 296.370 2.569 20 30 CFEDMN C=CCN1CC[C@H](NC(=O)Cc2ccc3ccccc3c2)C1 ZINC001016210001 651228176 /nfs/dbraw/zinc/22/81/76/651228176.db2.gz VXQGOWLEGHMEBD-SFHVURJKSA-N 0 1 294.398 2.759 20 30 CFEDMN C=CCN1CC[C@@H](NC(=O)c2ccc(C3CC3)cc2)C1 ZINC001016317766 651229762 /nfs/dbraw/zinc/22/97/62/651229762.db2.gz YSNRDMPYRYVPDV-MRXNPFEDSA-N 0 1 270.376 2.554 20 30 CFEDMN C=CCN1CC[C@@H](NC(=O)[C@H](C)c2cccc(Cl)c2)C1 ZINC001016309417 651229888 /nfs/dbraw/zinc/22/98/88/651229888.db2.gz VARAEGFNVYTTLS-IUODEOHRSA-N 0 1 292.810 2.820 20 30 CFEDMN C=CCN1CC[C@H](NC(=O)C[C@H]2CCCCC2(C)C)C1 ZINC001016425818 651233699 /nfs/dbraw/zinc/23/36/99/651233699.db2.gz ALUHIRCVXQHZPM-CABCVRRESA-N 0 1 278.440 2.969 20 30 CFEDMN C=C(C)CCN1C[C@H]2CC[C@@H](C1)N2C(=O)c1ncccc1C ZINC001017456194 651252343 /nfs/dbraw/zinc/25/23/43/651252343.db2.gz ISOFECOFCPDTAE-IYBDPMFKSA-N 0 1 299.418 2.645 20 30 CFEDMN C=CCCN1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@]1(C)CC=CCC1 ZINC001017581265 651254406 /nfs/dbraw/zinc/25/44/06/651254406.db2.gz OVSJPUDXSXMQGY-JZXOWHBKSA-N 0 1 288.435 2.984 20 30 CFEDMN C=CCCN1C[C@H]2CC[C@@H](C1)N2C(=O)C1(C(F)F)CCC1 ZINC001017845358 651259441 /nfs/dbraw/zinc/25/94/41/651259441.db2.gz ZXRNXTGWNBIKJU-BETUJISGSA-N 0 1 298.377 2.673 20 30 CFEDMN C#CCCN1C[C@H]2CC[C@@H](C1)N2C(=O)c1c(C)cccc1C ZINC001017986913 651263143 /nfs/dbraw/zinc/26/31/43/651263143.db2.gz HAGSSNADAJDQRL-CALCHBBNSA-N 0 1 296.414 2.616 20 30 CFEDMN C#CCCN1C[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1CC[C@H](C)CC1 ZINC001018197825 651267090 /nfs/dbraw/zinc/26/70/90/651267090.db2.gz WGJMMLJNQIMQIC-KGASUQACSA-N 0 1 288.435 2.511 20 30 CFEDMN C=C(Cl)CN[C@H]1CCN(C(=O)c2ccsc2C)C1 ZINC001018817555 651276106 /nfs/dbraw/zinc/27/61/06/651276106.db2.gz OJIYLNTYCUJQDA-NSHDSACASA-N 0 1 284.812 2.613 20 30 CFEDMN C=C(Cl)CN[C@H]1CCN(C(=O)c2sc(C)cc2C)C1 ZINC001018917039 651277337 /nfs/dbraw/zinc/27/73/37/651277337.db2.gz YSCDPKREKYAOKH-LBPRGKRZSA-N 0 1 298.839 2.922 20 30 CFEDMN C=C(Cl)CN[C@H]1CCN(C(=O)[C@H](F)c2ccccc2)C1 ZINC001019440866 651285351 /nfs/dbraw/zinc/28/53/51/651285351.db2.gz WFQWWZMAECHHIQ-UONOGXRCSA-N 0 1 296.773 2.640 20 30 CFEDMN C=C(Cl)CN[C@H]1CCN(C(=O)c2ccc(CF)cc2)C1 ZINC001019842468 651292940 /nfs/dbraw/zinc/29/29/40/651292940.db2.gz BVERQVAELLOSFE-AWEZNQCLSA-N 0 1 296.773 2.713 20 30 CFEDMN C#CCCN1CC[C@@H]1CN(C)C(=O)[C@H]1CC[C@H](CC)CC1 ZINC001085936906 782208681 /nfs/dbraw/zinc/20/86/81/782208681.db2.gz QFUNBDFSVHAUQQ-BRWVUGGUSA-N 0 1 290.451 2.759 20 30 CFEDMN C=C(C)CN1CC[C@@H]1CN(C)C(=O)c1ccc(CF)cc1 ZINC001085993509 782231704 /nfs/dbraw/zinc/23/17/04/782231704.db2.gz MZVPGQOUKFGTTD-MRXNPFEDSA-N 0 1 290.382 2.879 20 30 CFEDMN C#CCCN1CC[C@@H]1CN(C)C(=O)C12CCC(CC1)CC2 ZINC001085983630 782228300 /nfs/dbraw/zinc/22/83/00/782228300.db2.gz KZHFSFBXRUEAEA-UPTPFMHGSA-N 0 1 288.435 2.513 20 30 CFEDMN COC(=O)c1cc(C#N)cnc1-c1ccc(Cl)c(O)c1 ZINC001243577916 782288376 /nfs/dbraw/zinc/28/83/76/782288376.db2.gz DAOOSCHGBSCANO-UHFFFAOYSA-N 0 1 288.690 2.766 20 30 CFEDMN C=C(C)CN1CC[C@@H](NC(=O)C(CC)(CC)CC)C1 ZINC001266349480 770002464 /nfs/dbraw/zinc/00/24/64/770002464.db2.gz HOYQCHQQJBDVAV-CQSZACIVSA-N 0 1 266.429 2.969 20 30 CFEDMN C#CC[C@@H](CC)Oc1[nH]c(=O)nc2cccc(OC)c21 ZINC001229238691 776762448 /nfs/dbraw/zinc/76/24/48/776762448.db2.gz IDDCOADGKANXKY-SNVBAGLBSA-N 0 1 272.304 2.525 20 30 CFEDMN C=C(C)CN1CC[C@@H](N(C)C(=O)c2occc2CC)C1 ZINC001033394711 780670555 /nfs/dbraw/zinc/67/05/55/780670555.db2.gz ZGJVYNQKYMKVAW-CQSZACIVSA-N 0 1 276.380 2.564 20 30 CFEDMN C=CCN1CC[C@H](N(C)C(=O)c2cc(CC)c(C)s2)C1 ZINC001033648362 780743173 /nfs/dbraw/zinc/74/31/73/780743173.db2.gz ODSXXRBHNTUTQZ-AWEZNQCLSA-N 0 1 292.448 2.951 20 30 CFEDMN C#CC[N@@H+]1CC[C@@H](N(CC)C(=O)C2CCCCCCC2)C1 ZINC001033898463 780820738 /nfs/dbraw/zinc/82/07/38/780820738.db2.gz WCSBCYDJMUHKSC-QGZVFWFLSA-N 0 1 290.451 2.903 20 30 CFEDMN C#CCN1CC[C@@H](N(CC)C(=O)C2CCCCCCC2)C1 ZINC001033898463 780820742 /nfs/dbraw/zinc/82/07/42/780820742.db2.gz WCSBCYDJMUHKSC-QGZVFWFLSA-N 0 1 290.451 2.903 20 30 CFEDMN CC#CCN1CC[C@@H](N(CC)C(=O)[C@@H]2CC23CCCC3)C1 ZINC001034019259 780854713 /nfs/dbraw/zinc/85/47/13/780854713.db2.gz TWDPVDDASSAVSA-CVEARBPZSA-N 0 1 288.435 2.513 20 30 CFEDMN CC#CCN1CC[C@H](N(CC)C(=O)[C@@H]2CC23CCCC3)C1 ZINC001034019261 780855306 /nfs/dbraw/zinc/85/53/06/780855306.db2.gz TWDPVDDASSAVSA-HOTGVXAUSA-N 0 1 288.435 2.513 20 30 CFEDMN C=CCN1CC[C@H](N(CC)C(=O)c2ccoc2CCC)C1 ZINC001034019209 780855766 /nfs/dbraw/zinc/85/57/66/780855766.db2.gz NOGPLCOWSKIMJW-AWEZNQCLSA-N 0 1 290.407 2.955 20 30 CFEDMN C#CCN1CC[C@H](N(CC)C(=O)C2CC(C(C)(C)C)C2)C1 ZINC001034050841 780867741 /nfs/dbraw/zinc/86/77/41/780867741.db2.gz PUCNYEMOLWCOCG-GPANFISMSA-N 0 1 290.451 2.615 20 30 CFEDMN C=CC(C)(C)C(=O)N1CC[C@H]2CCN(C/C=C\Cl)[C@H]2C1 ZINC001085004800 781877758 /nfs/dbraw/zinc/87/77/58/781877758.db2.gz LGOIPHRQIZKCPG-GMOCCLDISA-N 0 1 296.842 2.874 20 30 CFEDMN N#Cc1ccc(CCN2CCC(=O)[C@H]3CCCC[C@@H]32)cc1 ZINC001208921079 769966044 /nfs/dbraw/zinc/96/60/44/769966044.db2.gz XNCPMVASGXGICH-IRXDYDNUSA-N 0 1 282.387 2.934 20 30 CFEDMN C=CCN1CC[C@H](NC(=O)[C@H](C)CC2CCCCC2)C1 ZINC001266345868 769994791 /nfs/dbraw/zinc/99/47/91/769994791.db2.gz ZHBRNDQBQGWGMB-ZBFHGGJFSA-N 0 1 278.440 2.969 20 30 CFEDMN C=CCN1CC[C@@H](NC(=O)[C@@H](C)CC2CCCCC2)C1 ZINC001266345866 769995322 /nfs/dbraw/zinc/99/53/22/769995322.db2.gz ZHBRNDQBQGWGMB-GOEBONIOSA-N 0 1 278.440 2.969 20 30 CFEDMN C#CCCCN1CCO[C@](C)(c2ccc(C)cc2)C1 ZINC001209265879 770027816 /nfs/dbraw/zinc/02/78/16/770027816.db2.gz CUOPNWULPRGAFT-KRWDZBQOSA-N 0 1 257.377 2.956 20 30 CFEDMN CCN(CCNC(=O)C#CC(C)C)Cc1csc(C)c1 ZINC001266388057 770061755 /nfs/dbraw/zinc/06/17/55/770061755.db2.gz QCVYQKWYYDKFJB-UHFFFAOYSA-N 0 1 292.448 2.654 20 30 CFEDMN C#CCN(CC)CCNC(=O)CC[C@@H]1CCc2ccccc21 ZINC001266437800 770147940 /nfs/dbraw/zinc/14/79/40/770147940.db2.gz MLHCVMGMRWJKSO-KRWDZBQOSA-N 0 1 298.430 2.568 20 30 CFEDMN C=CC(C)(C)C(=O)NC[C@@H]1CCCN1CCC(F)(F)F ZINC001266477307 770196200 /nfs/dbraw/zinc/19/62/00/770196200.db2.gz NEDMCLXCYPXUDR-NSHDSACASA-N 0 1 292.345 2.732 20 30 CFEDMN C#CCCN1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H](CC)CCCC ZINC001266478419 770196276 /nfs/dbraw/zinc/19/62/76/770196276.db2.gz MYVOVSWTEMUSRR-YESZJQIVSA-N 0 1 290.451 2.901 20 30 CFEDMN C=C(C)CN1CC[C@@H]1CNC(=O)C1=CCCCCC1 ZINC001038187487 770240271 /nfs/dbraw/zinc/24/02/71/770240271.db2.gz QRHSZLZSWOTUDT-OAHLLOKOSA-N 0 1 262.397 2.644 20 30 CFEDMN CC#CCN(CCNC(=O)CC1(C)CCCC1)C1CC1 ZINC001266590321 770391139 /nfs/dbraw/zinc/39/11/39/770391139.db2.gz GSCVKMPVKSXOMX-UHFFFAOYSA-N 0 1 276.424 2.561 20 30 CFEDMN CC#CCN(CCNC(=O)c1cc(Cl)cs1)C1CC1 ZINC001266614198 770433957 /nfs/dbraw/zinc/43/39/57/770433957.db2.gz WENDMOJKBPQXSZ-UHFFFAOYSA-N 0 1 296.823 2.619 20 30 CFEDMN Cn1cncc1Nc1ccc(Br)c(F)c1C#N ZINC001211251504 770467071 /nfs/dbraw/zinc/46/70/71/770467071.db2.gz IFZHNVQCHOUVAZ-UHFFFAOYSA-N 0 1 295.115 2.937 20 30 CFEDMN C=CCN1CC[C@@H]2CCN(C(=O)c3ccc(C)s3)C[C@H]21 ZINC001041891362 770643946 /nfs/dbraw/zinc/64/39/46/770643946.db2.gz PUGYAPBMENIHMD-ZIAGYGMSSA-N 0 1 290.432 2.779 20 30 CFEDMN C=CCN1CCCC[C@@H]1CNC(=O)C1(C)CC(F)(F)C1 ZINC001266855831 770680606 /nfs/dbraw/zinc/68/06/06/770680606.db2.gz GOWSPHOPMBYBNF-GFCCVEGCSA-N 0 1 286.366 2.579 20 30 CFEDMN Cc1cccnc1/C=C\C(=O)Nc1cc(C#N)ccc1O ZINC000588455828 770740461 /nfs/dbraw/zinc/74/04/61/770740461.db2.gz NHTIJSWKDLCDNL-ALCCZGGFSA-N 0 1 279.299 2.619 20 30 CFEDMN CSCC1CCN(Cc2cncc(C#N)c2)CC1 ZINC000721515434 770911338 /nfs/dbraw/zinc/91/13/38/770911338.db2.gz FULCLCYAGPPDEW-UHFFFAOYSA-N 0 1 261.394 2.528 20 30 CFEDMN [NH3+]Cc1cccn1-c1cc(/C=N/[O-])cc(C(F)(F)F)c1 ZINC001167595623 770959346 /nfs/dbraw/zinc/95/93/46/770959346.db2.gz HYVFBAVSYHIQHC-QGMBQPNBSA-N 0 1 283.253 2.763 20 30 CFEDMN CCOc1cc(Nc2cc(C#N)c(F)cc2O)ccn1 ZINC001216626154 773203726 /nfs/dbraw/zinc/20/37/26/773203726.db2.gz RCYXZJDLJAOQTQ-UHFFFAOYSA-N 0 1 273.267 2.940 20 30 CFEDMN CC#CCN(CC)CCNC(=O)C[C@H](CC)C(C)(C)C ZINC001267254660 775106707 /nfs/dbraw/zinc/10/67/07/775106707.db2.gz YLDKAGAWWHWUNG-HNNXBMFYSA-N 0 1 280.456 2.910 20 30 CFEDMN N#Cc1ccccc1N1C[C@H]2CC[C@@H](C1)N2Cc1ccc[nH]1 ZINC001276953089 775119445 /nfs/dbraw/zinc/11/94/45/775119445.db2.gz HKJZYHQIZYQCBV-CALCHBBNSA-N 0 1 292.386 2.740 20 30 CFEDMN CCN(C)c1ccc(/C=C\C(=O)c2ccc(O)cc2O)cn1 ZINC000588579633 775136340 /nfs/dbraw/zinc/13/63/40/775136340.db2.gz WYYIGZSSHPXURZ-YWEYNIOJSA-N 0 1 298.342 2.845 20 30 CFEDMN CSC[C@@H]1CCCN(Cc2cncc(C#N)c2)C1 ZINC000721541916 775143115 /nfs/dbraw/zinc/14/31/15/775143115.db2.gz WGJLESNNMQUKFX-GFCCVEGCSA-N 0 1 261.394 2.528 20 30 CFEDMN C=CCCCC(=O)NCC1CCN(C/C=C\Cl)CC1 ZINC001224277132 775143192 /nfs/dbraw/zinc/14/31/92/775143192.db2.gz RCRCLNYMIREJIW-UITAMQMPSA-N 0 1 284.831 2.923 20 30 CFEDMN CC#CCOC[C@H]1CN(Cc2ccccc2)CC(C)(C)O1 ZINC001224359200 775166982 /nfs/dbraw/zinc/16/69/82/775166982.db2.gz QOVDHIFQDXDLOE-QGZVFWFLSA-N 0 1 287.403 2.706 20 30 CFEDMN CC[C@H]1OC(C)=C(OCCOc2ccc(OC)cc2)C1=O ZINC001224414764 775180464 /nfs/dbraw/zinc/18/04/64/775180464.db2.gz XLXRQIGGEFFGQO-CQSZACIVSA-N 0 1 292.331 2.700 20 30 CFEDMN C=CC[N@@H+](CCNC(=O)c1ccnc2ccccc21)C1CC1 ZINC001267328422 775208288 /nfs/dbraw/zinc/20/82/88/775208288.db2.gz VBLMDUOGWIFDCR-UHFFFAOYSA-N 0 1 295.386 2.615 20 30 CFEDMN C=C1O[C@H](CC)C(=O)C1OCCc1ccsc1 ZINC001224535871 775214543 /nfs/dbraw/zinc/21/45/43/775214543.db2.gz SWTCFKGZGOWCPY-LLVKDONJSA-N 0 1 252.335 2.917 20 30 CFEDMN C#CCCN1CC[C@H]1CNC(=O)C[C@@H]1CCCCC1(C)C ZINC001276986760 775232627 /nfs/dbraw/zinc/23/26/27/775232627.db2.gz ZVOLYYHWWVVFIO-HOTGVXAUSA-N 0 1 290.451 2.807 20 30 CFEDMN C=C1O[C@@H](CC)C(=O)C1OCCc1ccc(C#N)cc1 ZINC001224656008 775241153 /nfs/dbraw/zinc/24/11/53/775241153.db2.gz RDLHKHUTZHKMGC-AWEZNQCLSA-N 0 1 271.316 2.727 20 30 CFEDMN C#CCN[C@H](CNC(=O)c1ccoc1CC)c1ccccc1 ZINC001267357524 775244356 /nfs/dbraw/zinc/24/43/56/775244356.db2.gz PAADWKYNYFWZDQ-MRXNPFEDSA-N 0 1 296.370 2.536 20 30 CFEDMN C=CCCN1CC[C@H]1CNC(=O)c1csc(C)c1C ZINC001038287101 775244829 /nfs/dbraw/zinc/24/48/29/775244829.db2.gz NSEDYIGKFKMEPP-ZDUSSCGKSA-N 0 1 278.421 2.745 20 30 CFEDMN C[C@@H](c1ccccn1)N1CC[C@@H](OCC2(C#N)CC2)C1 ZINC001224948388 775314150 /nfs/dbraw/zinc/31/41/50/775314150.db2.gz OADZSAKOYTXOSK-UONOGXRCSA-N 0 1 271.364 2.537 20 30 CFEDMN C=CCN1CC[C@@H](N(CCC)C(=O)[C@H](C)C(C)C)C1 ZINC001267481625 775380813 /nfs/dbraw/zinc/38/08/13/775380813.db2.gz JNMDILDHHLVCHU-HUUCEWRRSA-N 0 1 266.429 2.777 20 30 CFEDMN C=CCN1CCCC[C@H]1CNC(=O)[C@H]1CC2CCC1CC2 ZINC001024817449 775428572 /nfs/dbraw/zinc/42/85/72/775428572.db2.gz ANUZRVXAFPLEMD-GQGLESIBSA-N 0 1 290.451 2.969 20 30 CFEDMN C=CC[N@H+]1CCCC[C@@H]1CNC(=O)c1cccc2c1CCC2 ZINC001024821632 775429151 /nfs/dbraw/zinc/42/91/51/775429151.db2.gz ROQZMMGPPBWKRM-MRXNPFEDSA-N 0 1 298.430 2.946 20 30 CFEDMN C=CCN1CCCC[C@@H]1CNC(=O)c1cccc2c1CCC2 ZINC001024821632 775429152 /nfs/dbraw/zinc/42/91/52/775429152.db2.gz ROQZMMGPPBWKRM-MRXNPFEDSA-N 0 1 298.430 2.946 20 30 CFEDMN C=CCN1CCCC[C@H]1CNC(=O)c1c(C)cccc1F ZINC001024822088 775431105 /nfs/dbraw/zinc/43/11/05/775431105.db2.gz XSAPVAQMIBXWBV-AWEZNQCLSA-N 0 1 290.382 2.904 20 30 CFEDMN C[C@H](c1ccccn1)[N@H+]1CC[C@@H](Oc2ncccc2C#N)C1 ZINC001225407026 775444701 /nfs/dbraw/zinc/44/47/01/775444701.db2.gz HZRJEUAGOKASTA-UKRRQHHQSA-N 0 1 294.358 2.563 20 30 CFEDMN C[C@H](c1ccccn1)N1CC[C@@H](Oc2ncccc2C#N)C1 ZINC001225407026 775444707 /nfs/dbraw/zinc/44/47/07/775444707.db2.gz HZRJEUAGOKASTA-UKRRQHHQSA-N 0 1 294.358 2.563 20 30 CFEDMN Cc1cc(C(C)(C)C)ccc1O[C@@H]1CNC[C@@H]1C#N ZINC001218201722 775499128 /nfs/dbraw/zinc/49/91/28/775499128.db2.gz UMRWEUYCSNFEHF-SWLSCSKDSA-N 0 1 258.365 2.783 20 30 CFEDMN C[C@]1(O)CCCCN(Cc2cccc(C#N)c2Cl)C1 ZINC001140808590 775500220 /nfs/dbraw/zinc/50/02/20/775500220.db2.gz WYGXBARARBJZMU-HNNXBMFYSA-N 0 1 278.783 2.949 20 30 CFEDMN C=C(Cl)CN1CCC[C@@H]1[C@H]1CCCCN1C(=O)CC ZINC001025186882 775561351 /nfs/dbraw/zinc/56/13/51/775561351.db2.gz ZSIXMDBEBCCKOB-ZIAGYGMSSA-N 0 1 284.831 2.994 20 30 CFEDMN C[N@H+]1CCC[C@H](Oc2cc(Cl)cc(C#N)c2)C1 ZINC001225698620 775562810 /nfs/dbraw/zinc/56/28/10/775562810.db2.gz VSDHADGTYWHXQF-LBPRGKRZSA-N 0 1 250.729 2.685 20 30 CFEDMN C=C[C@@]1(C)CC[C@@H](C(C)(C)Oc2[nH]c(=O)ncc2F)O1 ZINC001225881702 775621995 /nfs/dbraw/zinc/62/19/95/775621995.db2.gz LMPDXEPRHNNIQQ-HZMBPMFUSA-N 0 1 282.315 2.602 20 30 CFEDMN C=C[C@@]1(C)CC[C@H](C(C)(C)Oc2[nH]c(=O)ncc2F)O1 ZINC001225881709 775622736 /nfs/dbraw/zinc/62/27/36/775622736.db2.gz LMPDXEPRHNNIQQ-YGRLFVJLSA-N 0 1 282.315 2.602 20 30 CFEDMN CC[C@@H](C#Cc1ccccc1)Oc1[nH]c(=O)ncc1F ZINC001225884934 775624166 /nfs/dbraw/zinc/62/41/66/775624166.db2.gz JALZXFXYVTUGMX-LBPRGKRZSA-N 0 1 272.279 2.530 20 30 CFEDMN C=C[C@H](CC(=O)OC(C)(C)C)Oc1cccc2[nH]nnc21 ZINC001225990605 775658988 /nfs/dbraw/zinc/65/89/88/775658988.db2.gz DTCNXYNXJHUSGF-SNVBAGLBSA-N 0 1 289.335 2.623 20 30 CFEDMN C[C@@H](Oc1nccc(/C=N/O)n1)c1c(F)cccc1F ZINC001226253893 775755736 /nfs/dbraw/zinc/75/57/36/775755736.db2.gz NVTAHAPHMGSTFK-RAKXPMKDSA-N 0 1 279.246 2.703 20 30 CFEDMN C#C[C@H]1CCC[C@@H]1Oc1[nH]c(=O)nc2ccc(F)cc21 ZINC001226408591 775808893 /nfs/dbraw/zinc/80/88/93/775808893.db2.gz LTVBKTIKOOJOHF-ZANVPECISA-N 0 1 272.279 2.655 20 30 CFEDMN C=CC(C)(C)C(=O)NCC1(NCc2ccccc2F)CC1 ZINC001277132587 775849776 /nfs/dbraw/zinc/84/97/76/775849776.db2.gz FDTXOWBBJGJTHC-UHFFFAOYSA-N 0 1 290.382 2.776 20 30 CFEDMN CC#C[C@H](CC)Oc1[nH]c(=O)nc2nc(Cl)ccc21 ZINC001226553602 775871364 /nfs/dbraw/zinc/87/13/64/775871364.db2.gz OYSAUAJMSYTWKD-QMMMGPOBSA-N 0 1 277.711 2.565 20 30 CFEDMN C#CC[C@H](CC)Oc1[nH]c(=O)nc2nc(Cl)ccc21 ZINC001226556389 775872827 /nfs/dbraw/zinc/87/28/27/775872827.db2.gz MJVUBGGVPXBFGU-QMMMGPOBSA-N 0 1 277.711 2.565 20 30 CFEDMN C#CCN1CC[C@@H](N(C)C(=O)CC[C@H](C)c2ccccc2)C1 ZINC001267774073 775913338 /nfs/dbraw/zinc/91/33/38/775913338.db2.gz TYFQVFIEABXACQ-FUHWJXTLSA-N 0 1 298.430 2.736 20 30 CFEDMN C#CCN1CC[C@@H](N(C)C(=O)C/C=C\c2ccc(C)cc2)C1 ZINC001267778665 775920985 /nfs/dbraw/zinc/92/09/85/775920985.db2.gz FLPZYQKTSUPPFR-OOFWQKGWSA-N 0 1 296.414 2.564 20 30 CFEDMN C=C(C)CN1CC[C@H](N(CC)C(=O)CSC(C)C)C1 ZINC001267780620 775923509 /nfs/dbraw/zinc/92/35/09/775923509.db2.gz RNMXYVMENOUMRC-AWEZNQCLSA-N 0 1 284.469 2.627 20 30 CFEDMN CC#CCN1CC[C@H](N(CC)C(=O)CCC2(C)CC2)C1 ZINC001267791058 775933600 /nfs/dbraw/zinc/93/36/00/775933600.db2.gz QXQXVBSBDPZRAQ-HNNXBMFYSA-N 0 1 276.424 2.513 20 30 CFEDMN C#C[C@H](CCCC)Oc1nc[nH]c(=O)c1Br ZINC001226722130 775938437 /nfs/dbraw/zinc/93/84/37/775938437.db2.gz PBZCVSHTYLFNET-MRVPVSSYSA-N 0 1 285.141 2.516 20 30 CFEDMN C[C@H](Oc1nc2[nH]cnc2c(=S)[nH]1)c1ccccc1C#N ZINC001226786952 775964913 /nfs/dbraw/zinc/96/49/13/775964913.db2.gz ULQQXWXALKFZFX-QMMMGPOBSA-N 0 1 297.343 2.653 20 30 CFEDMN C=CCN1CC[C@@H]2CN(C(=O)C(C)(C)CCC)[C@@H]2C1 ZINC001221778690 775974250 /nfs/dbraw/zinc/97/42/50/775974250.db2.gz USOUHJICZCTYEU-ZIAGYGMSSA-N 0 1 264.413 2.531 20 30 CFEDMN C=C1O[C@@H](CC)C(=O)C1Oc1ccc2nc[nH]c2c1 ZINC001226928745 776021064 /nfs/dbraw/zinc/02/10/64/776021064.db2.gz QFIJQUOPEKUXKE-LBPRGKRZSA-N 0 1 258.277 2.551 20 30 CFEDMN Cc1[nH]c(=O)nc(OC2CCC(C#N)CC2)c1Cl ZINC001227110583 776101710 /nfs/dbraw/zinc/10/17/10/776101710.db2.gz AXPXBISBOWCKGQ-UHFFFAOYSA-N 0 1 267.716 2.605 20 30 CFEDMN CCOC(=O)[C@@H]1CC[C@H](Oc2nc3ccc(C#N)cc3[nH]2)C1 ZINC001227219508 776141779 /nfs/dbraw/zinc/14/17/79/776141779.db2.gz LURIZVYPPSNACS-NEPJUHHUSA-N 0 1 299.330 2.545 20 30 CFEDMN Cc1cn2c(n1)[C@H](Oc1nc3ccc(C#N)cc3[nH]1)CCC2 ZINC001227219001 776142032 /nfs/dbraw/zinc/14/20/32/776142032.db2.gz JMULUGPFJPAXRS-CQSZACIVSA-N 0 1 293.330 2.853 20 30 CFEDMN COC1=CC[C@@H](Oc2nc3ccc(C#N)cc3[nH]2)CC1 ZINC001227219529 776142100 /nfs/dbraw/zinc/14/21/00/776142100.db2.gz MCDMOKUNTMPXGU-GFCCVEGCSA-N 0 1 269.304 2.896 20 30 CFEDMN COC(=O)[C@@H]1CCC[C@@H](Oc2nc3ccc(C#N)cc3[nH]2)C1 ZINC001227219482 776142774 /nfs/dbraw/zinc/14/27/74/776142774.db2.gz LJJJXTZPJOHCNU-VXGBXAGGSA-N 0 1 299.330 2.545 20 30 CFEDMN CCC1=C(Oc2nc3cccc(C)c3[nH]2)C(=O)[C@@H](C)O1 ZINC001227267506 776164231 /nfs/dbraw/zinc/16/42/31/776164231.db2.gz DHEAAJZKODUVHZ-SECBINFHSA-N 0 1 272.304 2.860 20 30 CFEDMN C=C1O[C@H](CC)C(=O)C1Oc1nc2cccc(C)c2[nH]1 ZINC001227268652 776164431 /nfs/dbraw/zinc/16/44/31/776164431.db2.gz QTBPDYYHYYWSTD-LLVKDONJSA-N 0 1 272.304 2.860 20 30 CFEDMN N#Cc1ccccc1C[N@@H+]1CC[C@@H](Oc2cccc(O)c2)C1 ZINC001227553228 776226884 /nfs/dbraw/zinc/22/68/84/776226884.db2.gz AUFAELTVUBXULS-GOSISDBHSA-N 0 1 294.354 2.917 20 30 CFEDMN N#Cc1ccccc1CN1CC[C@@H](Oc2cccc(O)c2)C1 ZINC001227553228 776226887 /nfs/dbraw/zinc/22/68/87/776226887.db2.gz AUFAELTVUBXULS-GOSISDBHSA-N 0 1 294.354 2.917 20 30 CFEDMN C#C[C@@H](Oc1nc(=O)[nH]c2c1COC2)[C@@H](CC)CCCC ZINC001227690666 776258808 /nfs/dbraw/zinc/25/88/08/776258808.db2.gz NRHKVYYORYRNNP-SMDDNHRTSA-N 0 1 290.363 2.809 20 30 CFEDMN C=C[C@@H](CCC)Oc1nc(=O)[nH]c2c1CO[C@H]2C ZINC001227715813 776268244 /nfs/dbraw/zinc/26/82/44/776268244.db2.gz HAHGAAUXUMMMHY-IUCAKERBSA-N 0 1 250.298 2.507 20 30 CFEDMN C=CC[C@@H](Oc1nc(=O)[nH]c2c1CO[C@@H]2C)C(C)C ZINC001227715749 776268409 /nfs/dbraw/zinc/26/84/09/776268409.db2.gz FWWPBAOJYZTSAD-MWLCHTKSSA-N 0 1 264.325 2.753 20 30 CFEDMN C=C1O[C@@H](CC)C(=O)C1Oc1c(F)ccc(OC)c1F ZINC001227853063 776309176 /nfs/dbraw/zinc/30/91/76/776309176.db2.gz JGCHWWTXHLKMTJ-VIFPVBQESA-N 0 1 284.258 2.962 20 30 CFEDMN C=C1O[C@H](CC)C(=O)C1Oc1c(F)ccc(OC)c1F ZINC001227853057 776309379 /nfs/dbraw/zinc/30/93/79/776309379.db2.gz JGCHWWTXHLKMTJ-SECBINFHSA-N 0 1 284.258 2.962 20 30 CFEDMN C[C@H](CS)Oc1[nH]c(=O)nc2cc(Cl)ccc21 ZINC001227989931 776352573 /nfs/dbraw/zinc/35/25/73/776352573.db2.gz YZMNMHSARONYLA-ZCFIWIBFSA-N 0 1 270.741 2.686 20 30 CFEDMN C=C[C@]1(C)CC[C@@H](C(C)(C)OCc2cnc[nH]2)O1 ZINC001223000047 776411021 /nfs/dbraw/zinc/41/10/21/776411021.db2.gz KBLNXRHETRIRHT-GXTWGEPZSA-N 0 1 250.342 2.829 20 30 CFEDMN C=CC[C@@H](C=C)Oc1[nH]c(=O)nc2cc([N+](=O)[O-])ccc21 ZINC001228244972 776431906 /nfs/dbraw/zinc/43/19/06/776431906.db2.gz NGYANAFZZYIVMJ-SNVBAGLBSA-N 0 1 287.275 2.753 20 30 CFEDMN C=C[C@@H](CC)Oc1[nH]c(=O)nc2cc([N+](=O)[O-])ccc21 ZINC001228242905 776432246 /nfs/dbraw/zinc/43/22/46/776432246.db2.gz SBRRXYDUZHTQKW-VIFPVBQESA-N 0 1 275.264 2.587 20 30 CFEDMN C=C(C)C[N@H+]1CCC[C@H]1CNC(=O)c1cscc1C ZINC001027814219 776459056 /nfs/dbraw/zinc/45/90/56/776459056.db2.gz JTXDYZZUBCCMLB-ZDUSSCGKSA-N 0 1 278.421 2.827 20 30 CFEDMN C[C@H](CC(C)(C)S)Oc1nc(=O)[nH]cc1Cl ZINC001228483209 776504986 /nfs/dbraw/zinc/50/49/86/776504986.db2.gz SMAVPOZHTHIRFU-ZCFIWIBFSA-N 0 1 262.762 2.701 20 30 CFEDMN C[C@@H](C#C[Si](C)(C)C)Oc1nc(Cl)nc2nc[nH]c21 ZINC001228507508 776508370 /nfs/dbraw/zinc/50/83/70/776508370.db2.gz RXDAVOLBHQEJJL-QMMMGPOBSA-N 0 1 294.818 2.654 20 30 CFEDMN CC#CCN1CCC[C@H]1CNC(=O)[C@H]1CCC=CCCC1 ZINC001027967667 776533027 /nfs/dbraw/zinc/53/30/27/776533027.db2.gz WVFSPTNLKTVMFC-IRXDYDNUSA-N 0 1 288.435 2.727 20 30 CFEDMN C=C(Cl)CNC[C@@H](C)N(C)C(=O)[C@@H]1C[C@@H]2C=C[C@H]1CC2 ZINC001268065071 776534363 /nfs/dbraw/zinc/53/43/63/776534363.db2.gz WEMHSCNZGTVUIW-APIJFGDWSA-N 0 1 296.842 2.778 20 30 CFEDMN C=CCN1CCC[C@H]1CNC(=O)c1ccc(CC)s1 ZINC001028005098 776551033 /nfs/dbraw/zinc/55/10/33/776551033.db2.gz NEVSSVSHWIFELQ-LBPRGKRZSA-N 0 1 278.421 2.691 20 30 CFEDMN C=C[C@H](CC(=O)OC(C)(C)C)Oc1ccc2[nH]nnc2c1 ZINC001228663614 776557129 /nfs/dbraw/zinc/55/71/29/776557129.db2.gz FQJFHBQNQQSUDD-SNVBAGLBSA-N 0 1 289.335 2.623 20 30 CFEDMN N#C[C@H](Oc1ccc2[nH]nnc2c1)c1cccc(F)c1 ZINC001228662475 776557661 /nfs/dbraw/zinc/55/76/61/776557661.db2.gz IDDAYTNTTITXOP-AWEZNQCLSA-N 0 1 268.251 2.741 20 30 CFEDMN C=CCN1CCC[C@@H]1CNC(=O)c1cc(F)ccc1C ZINC001028052665 776573549 /nfs/dbraw/zinc/57/35/49/776573549.db2.gz BPGDFIFXPBINTJ-CQSZACIVSA-N 0 1 276.355 2.514 20 30 CFEDMN C=CCN1CCC[C@H]1CNC(=O)c1ccc(C)nc1C1CC1 ZINC001028054559 776574275 /nfs/dbraw/zinc/57/42/75/776574275.db2.gz YCURHLPQJVSLRC-HNNXBMFYSA-N 0 1 299.418 2.648 20 30 CFEDMN C#CCCN1CC[C@H]1CNC(=O)[C@H]1CC[C@H](C(C)C)CC1 ZINC001038851612 776577586 /nfs/dbraw/zinc/57/75/86/776577586.db2.gz PBDQJFYXQXRIHG-ULQDDVLXSA-N 0 1 290.451 2.663 20 30 CFEDMN COC(=O)c1cc2[nH]cnc2c(N[C@H]2CC[C@H](C#N)CC2)c1 ZINC001167845549 776626170 /nfs/dbraw/zinc/62/61/70/776626170.db2.gz RHJABVVJMUBXLV-UMSPYCQHSA-N 0 1 298.346 2.844 20 30 CFEDMN C=CCN1CCC[C@H]1CNC(=O)c1cccc(Cl)c1F ZINC001028110524 776632736 /nfs/dbraw/zinc/63/27/36/776632736.db2.gz DAXUDHVYUVRFJZ-NSHDSACASA-N 0 1 296.773 2.859 20 30 CFEDMN C#CC[C@@H](C)Oc1nc(C(F)(F)F)cc(O)c1[N+](=O)[O-] ZINC001228860261 776636865 /nfs/dbraw/zinc/63/68/65/776636865.db2.gz RZOWFRQPIHXLCB-ZCFIWIBFSA-N 0 1 290.197 2.505 20 30 CFEDMN C=CC[C@H](Oc1nc(OC)cc(=O)[nH]1)c1ccccc1 ZINC001228918316 776658005 /nfs/dbraw/zinc/65/80/05/776658005.db2.gz OCVHNNVVQYFIQR-LBPRGKRZSA-N 0 1 272.304 2.887 20 30 CFEDMN N#CC[C@@H](Oc1nnc2c[nH]ccc1-2)c1ccccc1 ZINC001228988937 776680165 /nfs/dbraw/zinc/68/01/65/776680165.db2.gz CHTUCEDCATXCQX-CQSZACIVSA-N 0 1 264.288 2.992 20 30 CFEDMN N#C[C@H](Oc1nnc2c[nH]ccc1-2)c1ccccc1F ZINC001228994885 776682961 /nfs/dbraw/zinc/68/29/61/776682961.db2.gz KMVKDDHZDXZRLF-ZDUSSCGKSA-N 0 1 268.251 2.741 20 30 CFEDMN CN1CCC[C@@H](Oc2cccc(C#N)c2Cl)C1 ZINC001229066795 776705435 /nfs/dbraw/zinc/70/54/35/776705435.db2.gz FMNRXLJSNWXGEU-LLVKDONJSA-N 0 1 250.729 2.685 20 30 CFEDMN C=CC[C@H](CCCC)Oc1[nH]c(=O)[nH]c(=O)c1F ZINC001229124736 776727292 /nfs/dbraw/zinc/72/72/92/776727292.db2.gz OBNUJYITFZZQCG-MRVPVSSYSA-N 0 1 256.277 2.541 20 30 CFEDMN C=CCC[C@@H](C)N1CC(NC(=O)[C@H](C)CCCC)C1 ZINC001268296516 776742496 /nfs/dbraw/zinc/74/24/96/776742496.db2.gz NZYKLOQGJBCCNT-ZIAGYGMSSA-N 0 1 266.429 2.968 20 30 CFEDMN C#CCN1CCC[C@@H]1CNC(=O)c1cccc(C(C)C)c1 ZINC001028244421 776747326 /nfs/dbraw/zinc/74/73/26/776747326.db2.gz CAMRTUSJMJYPFU-QGZVFWFLSA-N 0 1 284.403 2.637 20 30 CFEDMN C=CCC(C)(C)C(=O)N[C@H](C)CCNCc1ncc(C)o1 ZINC001268404902 776789012 /nfs/dbraw/zinc/78/90/12/776789012.db2.gz ONRGTCQGOPBWBY-GFCCVEGCSA-N 0 1 293.411 2.570 20 30 CFEDMN CC#CCN1CCC[C@H]1CNC(=O)[C@H]1CC[C@H](CC)CC1 ZINC001028279427 776795027 /nfs/dbraw/zinc/79/50/27/776795027.db2.gz ZQGHURRVDYXDGD-ULQDDVLXSA-N 0 1 290.451 2.807 20 30 CFEDMN C=C(Cl)CN[C@H]1CCCN(C(=O)/C=C\C(C)(C)C)C1 ZINC001207701468 776813259 /nfs/dbraw/zinc/81/32/59/776813259.db2.gz KILRSKZDQDBCIU-WSROAFLRSA-N 0 1 284.831 2.922 20 30 CFEDMN CC#CCN1CCC(NC(=O)[C@@H](C)CC(C)(C)C)CC1 ZINC001229494234 776830018 /nfs/dbraw/zinc/83/00/18/776830018.db2.gz UOHWBQAMHKKYAM-AWEZNQCLSA-N 0 1 278.440 2.663 20 30 CFEDMN N#Cc1cc(F)cc(CN2CCC3(C[C@@H]3CCO)CC2)c1 ZINC001139873569 776832601 /nfs/dbraw/zinc/83/26/01/776832601.db2.gz WQNAQVLIJRHFTL-HNNXBMFYSA-N 0 1 288.366 2.682 20 30 CFEDMN CC#CCN1CCC[C@H]1CNC(=O)c1ccc(C)cc1C ZINC001028295658 776839775 /nfs/dbraw/zinc/83/97/75/776839775.db2.gz RWGYOIIHUSWGCW-INIZCTEOSA-N 0 1 284.403 2.521 20 30 CFEDMN C=CCN1CCC[C@H]1CNC(=O)c1ccc(F)cc1Cl ZINC001028298567 776842780 /nfs/dbraw/zinc/84/27/80/776842780.db2.gz SODVSJSCRQJJFX-LBPRGKRZSA-N 0 1 296.773 2.859 20 30 CFEDMN C=CCN1CCC[C@H]1CNC(=O)c1cc2c(s1)CCC2 ZINC001028302601 776849749 /nfs/dbraw/zinc/84/97/49/776849749.db2.gz UIAICCQQGYNHBZ-ZDUSSCGKSA-N 0 1 290.432 2.617 20 30 CFEDMN CC#CCN1CCC(NC(=O)[C@@H](C)[C@H](C)C(C)(C)C)CC1 ZINC001229574344 776851331 /nfs/dbraw/zinc/85/13/31/776851331.db2.gz AGIPYBQXJNTGQL-GJZGRUSLSA-N 0 1 292.467 2.909 20 30 CFEDMN CC#CCN1CCC[C@H]1CNC(=O)c1ccc(C2CC2)cc1 ZINC001028329600 776859008 /nfs/dbraw/zinc/85/90/08/776859008.db2.gz OKUBCLBDAHHQIQ-SFHVURJKSA-N 0 1 296.414 2.782 20 30 CFEDMN CC#CCN1CCC[C@@H]1CNC(=O)[C@@H]1CCCCC1(C)C ZINC001028339740 776861946 /nfs/dbraw/zinc/86/19/46/776861946.db2.gz BPVSKVHCRNZXPP-CVEARBPZSA-N 0 1 290.451 2.807 20 30 CFEDMN CC#CCN1CCC[C@@H]1CNC(=O)C1CC(C(C)(C)C)C1 ZINC001028345209 776865315 /nfs/dbraw/zinc/86/53/15/776865315.db2.gz XCMZMTFZZRUGKC-UYSNPLJNSA-N 0 1 290.451 2.663 20 30 CFEDMN COc1ccc(Nc2cc(C#N)c(F)cc2O)c(CO)c1 ZINC001211749467 776865790 /nfs/dbraw/zinc/86/57/90/776865790.db2.gz MLKWWHZCYGBMMQ-UHFFFAOYSA-N 0 1 288.278 2.647 20 30 CFEDMN C=CCCCN1CC(NC(=O)Cc2sc(C)cc2C)C1 ZINC001268478595 776868530 /nfs/dbraw/zinc/86/85/30/776868530.db2.gz JWPVMWZHJUNISO-UHFFFAOYSA-N 0 1 292.448 2.674 20 30 CFEDMN CC[C@H](Cc1ccc(OC)c(OC)c1)NCCC#N ZINC000425967396 776870863 /nfs/dbraw/zinc/87/08/63/776870863.db2.gz NXNVBVMKMCMRLY-CYBMUJFWSA-N 0 1 262.353 2.528 20 30 CFEDMN C=CCC[C@@H](C)N1CC(NC(=O)C(C)(CC)CC)C1 ZINC001268483831 776880012 /nfs/dbraw/zinc/88/00/12/776880012.db2.gz BIAMPCKILDKNBF-CYBMUJFWSA-N 0 1 266.429 2.968 20 30 CFEDMN C=CCC(C)(C)C(=O)N(CC)CCNCc1ocnc1C ZINC001268483762 776880354 /nfs/dbraw/zinc/88/03/54/776880354.db2.gz KGKIGVFAYDECPZ-UHFFFAOYSA-N 0 1 293.411 2.523 20 30 CFEDMN C=C(Cl)CNC/C=C\CNC(=O)[C@@H]1C[C@H]1C(C)(C)C ZINC001268568278 776937930 /nfs/dbraw/zinc/93/79/30/776937930.db2.gz XVQDQRQCXLBZKD-NTQVKLLNSA-N 0 1 284.831 2.683 20 30 CFEDMN C#C[C@H](Oc1nc[nH]c(=O)c1Cl)c1ccccc1 ZINC001230015007 776940316 /nfs/dbraw/zinc/94/03/16/776940316.db2.gz SCGHICGFHHEZIC-JTQLQIEISA-N 0 1 260.680 2.589 20 30 CFEDMN C=CC(C=C)Oc1nc2cccc(N3CCN(C)CC3)c2o1 ZINC001230104179 776954388 /nfs/dbraw/zinc/95/43/88/776954388.db2.gz URJGKJQTDFCNOQ-UHFFFAOYSA-N 0 1 299.374 2.699 20 30 CFEDMN C=C(C)C(=O)OC[C@@H](C)Oc1cc2cn[nH]c2cc1C ZINC001230221934 776960345 /nfs/dbraw/zinc/96/03/45/776960345.db2.gz CDTHEKBIUNSWGC-LLVKDONJSA-N 0 1 274.320 2.758 20 30 CFEDMN CC#CCN(C)C[C@H](C)NC(=O)CC1(c2ccccc2)CC1 ZINC001268731799 777036910 /nfs/dbraw/zinc/03/69/10/777036910.db2.gz BZNOLGDDLHDQKQ-INIZCTEOSA-N 0 1 298.430 2.568 20 30 CFEDMN C=CCN(CCCNC(=O)/C=C/C1CC1)Cc1cccnc1 ZINC001230720429 777050801 /nfs/dbraw/zinc/05/08/01/777050801.db2.gz HUUZAKGBXPBJOU-CMDGGOBGSA-N 0 1 299.418 2.542 20 30 CFEDMN CC#C[C@@H](CC)Oc1[nH]c(=O)nc2ccc(OC)cc21 ZINC001230861876 777076254 /nfs/dbraw/zinc/07/62/54/777076254.db2.gz GWBRWPDUTGJRGW-SNVBAGLBSA-N 0 1 272.304 2.525 20 30 CFEDMN C#C[C@@H](CC(C)C)Oc1[nH]c(=O)nc2cc(F)ccc21 ZINC001230883095 777080860 /nfs/dbraw/zinc/08/08/60/777080860.db2.gz IWTKBBWAMGSYIE-NSHDSACASA-N 0 1 274.295 2.901 20 30 CFEDMN C#CC[C@H](CC)Oc1[nH]c(=O)nc2cc(F)ccc21 ZINC001230882101 777080950 /nfs/dbraw/zinc/08/09/50/777080950.db2.gz DLHFURXUZCXYDJ-JTQLQIEISA-N 0 1 260.268 2.655 20 30 CFEDMN CCC#C[C@H](C)Oc1[nH]c(=O)nc2cc(F)ccc21 ZINC001230882130 777081336 /nfs/dbraw/zinc/08/13/36/777081336.db2.gz DNCYNHVBZFLPIU-VIFPVBQESA-N 0 1 260.268 2.655 20 30 CFEDMN Cc1ccc2c(c1)nc(=O)[nH]c2O[C@@H]1CC[C@H](C#N)C1 ZINC001230886898 777081830 /nfs/dbraw/zinc/08/18/30/777081830.db2.gz USCRROMIJOOVHP-WDEREUQCSA-N 0 1 269.304 2.715 20 30 CFEDMN Cc1ccc2c(c1)nc(=O)[nH]c2O[C@H](C)[C@H](C)S ZINC001230887819 777082992 /nfs/dbraw/zinc/08/29/92/777082992.db2.gz DXYGUYSAMFOKRI-BDAKNGLRSA-N 0 1 264.350 2.729 20 30 CFEDMN C=CCc1cccc(O[C@@H]2C[C@@H]3CC(=O)C[C@H]2N3C)c1 ZINC001231016093 777117773 /nfs/dbraw/zinc/11/77/73/777117773.db2.gz WZNMKIKQXLEUHS-IAOVAPTHSA-N 0 1 271.360 2.598 20 30 CFEDMN C#C[C@H]1CCC[C@@H]1Oc1[nH]c(=O)nc2cccc(F)c21 ZINC001231074088 777133247 /nfs/dbraw/zinc/13/32/47/777133247.db2.gz KQTGBAUPXDQMGP-CABZTGNLSA-N 0 1 272.279 2.655 20 30 CFEDMN C=CCOCCN1CC[C@H]1CN(C)C(=O)C[C@H](C)CCC ZINC001231139479 777154007 /nfs/dbraw/zinc/15/40/07/777154007.db2.gz OZWAJQXTBTVISF-CVEARBPZSA-N 0 1 296.455 2.548 20 30 CFEDMN C#CCN1CC[C@H](N(CC)C(=O)C[C@H](C)CC(C)C)C1 ZINC001269347591 777176035 /nfs/dbraw/zinc/17/60/35/777176035.db2.gz ACIYFLKUKCNDLF-CVEARBPZSA-N 0 1 278.440 2.615 20 30 CFEDMN C=C(C)CN1CC[C@H]1CN(C)C(=O)/C=C\C(C)(C)C ZINC001231256442 777178128 /nfs/dbraw/zinc/17/81/28/777178128.db2.gz WMYRPUGEEBUVRE-LEJCZOIISA-N 0 1 264.413 2.698 20 30 CFEDMN C=C(C)CN1CC[C@@H]1CN(C)C(=O)/C=C/C(C)(C)C ZINC001231256443 777178222 /nfs/dbraw/zinc/17/82/22/777178222.db2.gz WMYRPUGEEBUVRE-RCQQVGEISA-N 0 1 264.413 2.698 20 30 CFEDMN Cc1cc(O)c([N+](=O)[O-])c(O[C@H](C)CC(C)(C)S)n1 ZINC001231264046 777180350 /nfs/dbraw/zinc/18/03/50/777180350.db2.gz OIPVDXDRCARMQA-MRVPVSSYSA-N 0 1 286.353 2.870 20 30 CFEDMN N#CC[C@@H]1CCC[N@H+](Cc2ccc(C(=O)[O-])s2)C1 ZINC001231464994 777228620 /nfs/dbraw/zinc/22/86/20/777228620.db2.gz YLPQHDVLTLYNIF-JTQLQIEISA-N 0 1 264.350 2.572 20 30 CFEDMN C=CCCCN1CC(N(C)C(=O)CC(CC)CC)C1 ZINC001269866829 777263574 /nfs/dbraw/zinc/26/35/74/777263574.db2.gz LCBWXYKWEVFPRW-UHFFFAOYSA-N 0 1 266.429 2.922 20 30 CFEDMN COc1cc(C#N)ccc1CN1CC[C@@]2(C1)CCCCO2 ZINC001231616534 777280258 /nfs/dbraw/zinc/28/02/58/777280258.db2.gz DHLUZTHLBHCYBY-QGZVFWFLSA-N 0 1 286.375 2.712 20 30 CFEDMN C=C(Cl)CNC[C@@H]1CCCN1C(=O)/C(C)=C\CC ZINC001270016397 777289345 /nfs/dbraw/zinc/28/93/45/777289345.db2.gz RGRSTNBKPPFONZ-GXJZLWQJSA-N 0 1 270.804 2.676 20 30 CFEDMN C=C(Cl)CNC[C@@H]1CCCN1C(=O)/C=C(\C)CC ZINC001270041417 777294211 /nfs/dbraw/zinc/29/42/11/777294211.db2.gz AYXVNFHWCLSJAE-YKWSONSWSA-N 0 1 270.804 2.676 20 30 CFEDMN C=CCN(CC=C)Cc1ccc(OC)c(OC(C)=O)c1 ZINC001231707191 777313110 /nfs/dbraw/zinc/31/31/10/777313110.db2.gz DVGKFVLAQNEXHP-UHFFFAOYSA-N 0 1 275.348 2.795 20 30 CFEDMN FC(F)c1cc(CN2CCC(S)CC2)ccn1 ZINC001231893051 777369285 /nfs/dbraw/zinc/36/92/85/777369285.db2.gz RDMBGUKDYHKMTP-UHFFFAOYSA-N 0 1 258.337 2.913 20 30 CFEDMN C#CCN1CC[C@](C)(NC(=O)CC2(C)CCCCC2)C1 ZINC001270606572 777421940 /nfs/dbraw/zinc/42/19/40/777421940.db2.gz DMQUUTVKUFDKGY-KRWDZBQOSA-N 0 1 276.424 2.561 20 30 CFEDMN C[C@@H]1CCN(Cc2ccc(C#N)c(Cl)c2)C[C@@]1(C)O ZINC001232111193 777443081 /nfs/dbraw/zinc/44/30/81/777443081.db2.gz BOMKAXMUTFAVGL-IAQYHMDHSA-N 0 1 278.783 2.804 20 30 CFEDMN C[C@@H]1CC[C@H](O)CN1Cc1ccc(C#N)c(Cl)c1 ZINC001232112510 777444343 /nfs/dbraw/zinc/44/43/43/777444343.db2.gz WTZKHHAGODBZQK-MFKMUULPSA-N 0 1 264.756 2.557 20 30 CFEDMN C=C(C)CN1C[C@@H]2CCN(C(=O)c3cc(C)cs3)[C@@H]2C1 ZINC001075768370 777481570 /nfs/dbraw/zinc/48/15/70/777481570.db2.gz KYGGAMXIUQIUMQ-UONOGXRCSA-N 0 1 290.432 2.779 20 30 CFEDMN CC#CCN1CC[C@H](NC(=O)C2CCCCC2)[C@H]1CC ZINC001087489664 777499462 /nfs/dbraw/zinc/49/94/62/777499462.db2.gz JNVYVZWMLZAIDK-JKSUJKDBSA-N 0 1 276.424 2.559 20 30 CFEDMN CSc1ccc(CN2CCC(CC#N)CC2)cn1 ZINC001232328412 777521138 /nfs/dbraw/zinc/52/11/38/777521138.db2.gz HIIWLXREBCYBKK-UHFFFAOYSA-N 0 1 261.394 2.929 20 30 CFEDMN CCOc1ccc(OC)cc1CN1CCC(S)CC1 ZINC001232385380 777542721 /nfs/dbraw/zinc/54/27/21/777542721.db2.gz OVGDCROQNYFZAW-UHFFFAOYSA-N 0 1 281.421 2.988 20 30 CFEDMN C[C@@H]1CCN(Cc2cc(C#N)ccn2)CCC1(F)F ZINC001232474687 777574579 /nfs/dbraw/zinc/57/45/79/777574579.db2.gz HYDCWBWJADHXQW-LLVKDONJSA-N 0 1 265.307 2.820 20 30 CFEDMN C=C(Cl)CNC[C@H](C)N(C)C(=O)C[C@H](C)CC ZINC001270948212 777612141 /nfs/dbraw/zinc/61/21/41/777612141.db2.gz QHLLYPXEGPOFCX-PWSUYJOCSA-N 0 1 260.809 2.612 20 30 CFEDMN C=CCN1CC[C@H](NC(=O)c2cc(C)c(C)o2)[C@H]1CC ZINC001087542000 777633391 /nfs/dbraw/zinc/63/33/91/777633391.db2.gz QXHJYBMIWFUABJ-UONOGXRCSA-N 0 1 276.380 2.665 20 30 CFEDMN N#Cc1ccc([O-])c(C[N@H+]2CC[C@H](F)C(F)(F)CC2)c1 ZINC001232673413 777636328 /nfs/dbraw/zinc/63/63/28/777636328.db2.gz FOOPUOLNEHYKON-ZDUSSCGKSA-N 0 1 284.281 2.833 20 30 CFEDMN N#Cc1ccc([O-])c(C[N@H+]2CCc3ccc(C#N)cc3C2)c1 ZINC001232673236 777636956 /nfs/dbraw/zinc/63/69/56/777636956.db2.gz CYKHWDJLMBUVDJ-UHFFFAOYSA-N 0 1 289.338 2.694 20 30 CFEDMN C[C@@H]1C[N@@H+](Cc2cc(C#N)ccc2[O-])CCC1(F)F ZINC001232674265 777637753 /nfs/dbraw/zinc/63/77/53/777637753.db2.gz UUPGQSFUVVNBTA-SNVBAGLBSA-N 0 1 266.291 2.741 20 30 CFEDMN N#Cc1ccc([O-])c(C[N@H+]2CC[C@@H](c3cccnc3)C2)c1 ZINC001232678513 777637774 /nfs/dbraw/zinc/63/77/74/777637774.db2.gz BFNAEANNFFZWIQ-OAHLLOKOSA-N 0 1 279.343 2.648 20 30 CFEDMN N#Cc1ccc([O-])c(C[N@@H+]2C[C@@H]3CC(F)(F)C[C@@H]3C2)c1 ZINC001232674960 777637939 /nfs/dbraw/zinc/63/79/39/777637939.db2.gz IEFJMRIEHXOGNB-BETUJISGSA-N 0 1 278.302 2.741 20 30 CFEDMN CC[C@H](C)CN1CC(N(C)C(=O)CC#Cc2ccccc2)C1 ZINC001277699851 777639702 /nfs/dbraw/zinc/63/97/02/777639702.db2.gz STPQSPVTXGNSIQ-INIZCTEOSA-N 0 1 298.430 2.617 20 30 CFEDMN N#Cc1ccc([O-])c(C[N@H+]2CCO[C@H](c3ccccc3)C2)c1 ZINC001232679780 777639911 /nfs/dbraw/zinc/63/99/11/777639911.db2.gz RZRFNCRJLNBOSN-SFHVURJKSA-N 0 1 294.354 2.837 20 30 CFEDMN C=CCN1CC[C@H](NC(=O)c2cc(C)cs2)[C@H]1CC ZINC001087564441 777657364 /nfs/dbraw/zinc/65/73/64/777657364.db2.gz BDWCXMLJDCXWMA-QWHCGFSZSA-N 0 1 278.421 2.825 20 30 CFEDMN N#Cc1ccc(CN2CCC3(CCCO3)CC2)s1 ZINC001232843910 777689797 /nfs/dbraw/zinc/68/97/97/777689797.db2.gz HPXDSRSJQRCTMD-UHFFFAOYSA-N 0 1 262.378 2.765 20 30 CFEDMN C=CC[N@@H+]1CC[C@H](NC(=O)[C@H](F)c2ccccc2)[C@H]1CC ZINC001087742249 777691404 /nfs/dbraw/zinc/69/14/04/777691404.db2.gz BLMPMYNMKTZSBC-ARFHVFGLSA-N 0 1 290.382 2.852 20 30 CFEDMN N#Cc1ccc(CN2C[C@H]3[C@H](CC3(F)F)C2)s1 ZINC001232844648 777692293 /nfs/dbraw/zinc/69/22/93/777692293.db2.gz YOCGLMQYSWJLQL-KCJUWKMLSA-N 0 1 254.305 2.707 20 30 CFEDMN N#Cc1ccc(C[N@H+]2C[C@H]3[C@H](CC3(F)F)C2)s1 ZINC001232844648 777692290 /nfs/dbraw/zinc/69/22/90/777692290.db2.gz YOCGLMQYSWJLQL-KCJUWKMLSA-N 0 1 254.305 2.707 20 30 CFEDMN C#CCN1CC[C@H](NC(=O)[C@H](C)c2ccc(C)cc2)[C@H]1CC ZINC001087801994 777700281 /nfs/dbraw/zinc/70/02/81/777700281.db2.gz RRPCYZBZGINODZ-BPQIPLTHSA-N 0 1 298.430 2.701 20 30 CFEDMN C=CCN1CC[C@H](NC(=O)c2sccc2OC)[C@H]1CC ZINC001087803899 777701504 /nfs/dbraw/zinc/70/15/04/777701504.db2.gz XGHPYOXVUSOXSA-NWDGAFQWSA-N 0 1 294.420 2.525 20 30 CFEDMN N#C[C@@H]1CN(Cc2cncc(-c3ccccc3)c2)CCC1=O ZINC001232901514 777712975 /nfs/dbraw/zinc/71/29/75/777712975.db2.gz MKEINHFCRVHVTF-QGZVFWFLSA-N 0 1 291.354 2.663 20 30 CFEDMN Cc1ccc(CN2CCCC[C@@](O)(CF)C2)c(C#N)c1 ZINC001232961896 777739550 /nfs/dbraw/zinc/73/95/50/777739550.db2.gz IRQDUARWNVQOCH-MRXNPFEDSA-N 0 1 276.355 2.553 20 30 CFEDMN N#Cc1cc[nH]c1CN1CC[C@H](Cc2ccccc2)C1 ZINC001233047105 777776531 /nfs/dbraw/zinc/77/65/31/777776531.db2.gz OWXRFBCTTDGHIV-OAHLLOKOSA-N 0 1 265.360 2.951 20 30 CFEDMN C[C@@H]1CN(Cc2ccccc2)CCN1Cc1[nH]ccc1C#N ZINC001233047339 777776799 /nfs/dbraw/zinc/77/67/99/777776799.db2.gz WQUSEWSNYMENKY-OAHLLOKOSA-N 0 1 294.402 2.593 20 30 CFEDMN N#C[C@@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccc(F)c(F)c1[O-] ZINC001233078148 777790226 /nfs/dbraw/zinc/79/02/26/777790226.db2.gz ICSNEACKJDLDBU-WLLOZRIZSA-N 0 1 278.302 2.937 20 30 CFEDMN Cc1cc(C#N)ccc1CN1CCC[C@H]1c1cnccn1 ZINC001233083142 777792792 /nfs/dbraw/zinc/79/27/92/777792792.db2.gz XUKQQDSELXBDMZ-KRWDZBQOSA-N 0 1 278.359 2.994 20 30 CFEDMN CC[C@@H]1OC(C)=C(OCC(=O)c2cccc(OC)c2)C1=O ZINC001204781740 777847054 /nfs/dbraw/zinc/84/70/54/777847054.db2.gz FFEANOMYWUMBGY-AWEZNQCLSA-N 0 1 290.315 2.504 20 30 CFEDMN N#Cc1ccc(C[N@H+]2CCCC(F)(F)CC2)c([O-])c1 ZINC001233383392 777925421 /nfs/dbraw/zinc/92/54/21/777925421.db2.gz GCHBPDSTBNATHY-UHFFFAOYSA-N 0 1 266.291 2.885 20 30 CFEDMN N#Cc1ccc(C[N@H+]2CCC[C@H]2c2cccnc2)c([O-])c1 ZINC001233383707 777926040 /nfs/dbraw/zinc/92/60/40/777926040.db2.gz SLKVTOXSIOPLEP-INIZCTEOSA-N 0 1 279.343 2.996 20 30 CFEDMN COc1ccc(CC[N@@H+](C)Cc2ccc(C#N)cc2[O-])cc1 ZINC001233386227 777926408 /nfs/dbraw/zinc/92/64/08/777926408.db2.gz KTZUCTOARSPOMG-UHFFFAOYSA-N 0 1 296.370 2.947 20 30 CFEDMN N#Cc1ccc(C[N@H+]2CCc3ccsc3C2)c([O-])c1 ZINC001233386269 777926589 /nfs/dbraw/zinc/92/65/89/777926589.db2.gz MSQPQXWHZYNQJY-UHFFFAOYSA-N 0 1 270.357 2.884 20 30 CFEDMN N#Cc1ccc(C[N@H+]2CCc3cc(O)ccc3C2)c([O-])c1 ZINC001233384547 777927278 /nfs/dbraw/zinc/92/72/78/777927278.db2.gz ZHYVPMSTSBZRRY-UHFFFAOYSA-N 0 1 280.327 2.528 20 30 CFEDMN N#C[C@H](Oc1n[nH]c(=O)cc1Cl)c1ccccc1F ZINC001233588496 778001050 /nfs/dbraw/zinc/00/10/50/778001050.db2.gz FGKRHBSITZSGPS-JTQLQIEISA-N 0 1 279.658 2.618 20 30 CFEDMN C=C1O[C@H](C)C(=O)C1Oc1ccc(C(=O)OCC)c(F)c1 ZINC001233593150 778002344 /nfs/dbraw/zinc/00/23/44/778002344.db2.gz HKHIJRWWJIUXEC-MRVPVSSYSA-N 0 1 294.278 2.601 20 30 CFEDMN C#CCCCC(=O)N(C)C[C@@H]1CCN1Cc1ccc(C)cc1 ZINC001233957016 778121784 /nfs/dbraw/zinc/12/17/84/778121784.db2.gz HWHNPQCOYLJAMJ-SFHVURJKSA-N 0 1 298.430 2.831 20 30 CFEDMN C#Cc1ccc(O[C@@H]2CC[N@H+]([C@@H](C)c3ccccn3)C2)nc1 ZINC001233966329 778125934 /nfs/dbraw/zinc/12/59/34/778125934.db2.gz VEDGWZPITSMDMR-GOEBONIOSA-N 0 1 293.370 2.672 20 30 CFEDMN C#Cc1ccc(O[C@@H]2CCN([C@@H](C)c3ccccn3)C2)nc1 ZINC001233966329 778125937 /nfs/dbraw/zinc/12/59/37/778125937.db2.gz VEDGWZPITSMDMR-GOEBONIOSA-N 0 1 293.370 2.672 20 30 CFEDMN C[C@H]1CCCN(Cc2ccc(F)cc2C#N)[C@H]1CCO ZINC000697208614 778150113 /nfs/dbraw/zinc/15/01/13/778150113.db2.gz QNOPJIUGGWVFDE-LRDDRELGSA-N 0 1 276.355 2.680 20 30 CFEDMN C=CCN1CC[C@H]1CN(C)C(=O)CC(C)(C)C1CC1 ZINC001234099210 778165796 /nfs/dbraw/zinc/16/57/96/778165796.db2.gz JYRPMTKIHSXKCC-AWEZNQCLSA-N 0 1 264.413 2.531 20 30 CFEDMN Cc1ccc(CN2CC[C@@H]2CN(C)C(=O)C#CC(C)C)cc1 ZINC001234118793 778170048 /nfs/dbraw/zinc/17/00/48/778170048.db2.gz LJSNWGHSKUJOGY-GOSISDBHSA-N 0 1 298.430 2.687 20 30 CFEDMN CC[C@H](C)C(=O)NCCCN(C)Cc1ccccc1C#N ZINC001234127616 778172230 /nfs/dbraw/zinc/17/22/30/778172230.db2.gz YTYAFUCGURGGGM-AWEZNQCLSA-N 0 1 287.407 2.542 20 30 CFEDMN C[C@@H](c1ccccc1)N1CC[C@H]1CN(C)C(=O)C#CC1CC1 ZINC001234195563 778183762 /nfs/dbraw/zinc/18/37/62/778183762.db2.gz LODRNOLVBFEFOT-YJBOKZPZSA-N 0 1 296.414 2.694 20 30 CFEDMN C[C@H](Cc1ccco1)Oc1[nH]c(=O)nc2ccc(C#N)cc21 ZINC001234530237 778244886 /nfs/dbraw/zinc/24/48/86/778244886.db2.gz JKLDJUXWFTWDQH-SNVBAGLBSA-N 0 1 295.298 2.810 20 30 CFEDMN CC(C)c1c(C#N)cccc1O[C@H]1C[C@@H]2CC(=O)C[C@H]1N2C ZINC001234855424 778312255 /nfs/dbraw/zinc/31/22/55/778312255.db2.gz AMMSPCUSLUEZPU-LXZKKBNFSA-N 0 1 298.386 2.865 20 30 CFEDMN Cn1c(N=C(NO)c2ccccc2N)cc2ccccc21 ZINC001212048959 778332741 /nfs/dbraw/zinc/33/27/41/778332741.db2.gz DVBFIAKPWAHWOJ-UHFFFAOYSA-N 0 1 280.331 2.818 20 30 CFEDMN C=C(C)CN1CC[C@H]1CNC(=O)c1c(C)[nH]c2ccccc21 ZINC001038478874 778362943 /nfs/dbraw/zinc/36/29/43/778362943.db2.gz XDCXAOXIQUVWCP-AWEZNQCLSA-N 0 1 297.402 2.857 20 30 CFEDMN C#CCN(C)CCN(C)C(=O)c1cc(Cl)cc(Cl)c1 ZINC001272158221 778363899 /nfs/dbraw/zinc/36/38/99/778363899.db2.gz FYHGITUPRGZDSX-UHFFFAOYSA-N 0 1 299.201 2.630 20 30 CFEDMN CC#CCN1CC[C@H](NC(=O)C2CCCCCCC2)[C@H]1C ZINC001088734382 778461613 /nfs/dbraw/zinc/46/16/13/778461613.db2.gz XFCUPJACQFLUIP-WBVHZDCISA-N 0 1 290.451 2.949 20 30 CFEDMN CC(C)N(C)CC(=O)Nc1c(C#N)cccc1C(F)(F)F ZINC001142588038 778513178 /nfs/dbraw/zinc/51/31/78/778513178.db2.gz GOYUYYHIESGRQD-UHFFFAOYSA-N 0 1 299.296 2.856 20 30 CFEDMN N#C[C@@H]1CCCN(Cc2nc3ccc(F)cc3[nH]2)CC1 ZINC001235697773 778542395 /nfs/dbraw/zinc/54/23/95/778542395.db2.gz TYJKJSIZYGOAQQ-LLVKDONJSA-N 0 1 272.327 2.828 20 30 CFEDMN C=CCN1CC[C@@H]2CCN(C(=O)c3ccc(F)s3)C[C@H]21 ZINC001042375619 778680612 /nfs/dbraw/zinc/68/06/12/778680612.db2.gz YSCICTSMERSXFT-VXGBXAGGSA-N 0 1 294.395 2.610 20 30 CFEDMN Cc1ccc(F)c(-c2cc3[nH]cnc3c(C#N)n2)c1O ZINC001236392144 778800483 /nfs/dbraw/zinc/80/04/83/778800483.db2.gz LVSAANVFARCVDU-UHFFFAOYSA-N 0 1 268.251 2.650 20 30 CFEDMN Cc1ccc(F)c(-c2cc3nc[nH]c3c(C#N)n2)c1O ZINC001236392144 778800493 /nfs/dbraw/zinc/80/04/93/778800493.db2.gz LVSAANVFARCVDU-UHFFFAOYSA-N 0 1 268.251 2.650 20 30 CFEDMN COc1ccc(C#N)cc1-c1ccc2[nH]nnc2c1 ZINC001236542738 778871745 /nfs/dbraw/zinc/87/17/45/778871745.db2.gz JEKZWBPDHZORLD-UHFFFAOYSA-N 0 1 250.261 2.505 20 30 CFEDMN COc1ccc(C#N)cc1-c1ccc2nn[nH]c2c1 ZINC001236542738 778871748 /nfs/dbraw/zinc/87/17/48/778871748.db2.gz JEKZWBPDHZORLD-UHFFFAOYSA-N 0 1 250.261 2.505 20 30 CFEDMN C=CCn1cccc1C(=O)NC1CN(CCC(C)(C)C)C1 ZINC001030447366 778873391 /nfs/dbraw/zinc/87/33/91/778873391.db2.gz RVOFZPVKGHMGQZ-UHFFFAOYSA-N 0 1 289.423 2.524 20 30 CFEDMN C=C(C)CCN1CC(NC(=O)Cc2ccccc2CC)C1 ZINC001030512953 778893719 /nfs/dbraw/zinc/89/37/19/778893719.db2.gz PDPFTJLGIYWDID-UHFFFAOYSA-N 0 1 286.419 2.558 20 30 CFEDMN N#Cc1ccc([O-])c(CN([C@@H]2CC[NH2+]C2)C2CCCCC2)c1 ZINC001236655364 778905546 /nfs/dbraw/zinc/90/55/46/778905546.db2.gz XFCXSFAPLACILM-QGZVFWFLSA-N 0 1 299.418 2.760 20 30 CFEDMN CC#CC[N@H+]1CC(C)(C)CC[C@H]1CNC(=O)C(F)=C(C)C ZINC001099015388 778909137 /nfs/dbraw/zinc/90/91/37/778909137.db2.gz CNKCGVVVCNAGGG-AWEZNQCLSA-N 0 1 294.414 2.880 20 30 CFEDMN CC#CCN1CC(C)(C)CC[C@H]1CNC(=O)C(F)=C(C)C ZINC001099015388 778909141 /nfs/dbraw/zinc/90/91/41/778909141.db2.gz CNKCGVVVCNAGGG-AWEZNQCLSA-N 0 1 294.414 2.880 20 30 CFEDMN C=CCN1CC[C@H](NC(=O)c2cc(C)ccc2F)[C@H]1C ZINC001088882692 778933810 /nfs/dbraw/zinc/93/38/10/778933810.db2.gz FQPFWQZFWPRKQL-DOMZBBRYSA-N 0 1 276.355 2.513 20 30 CFEDMN C#CCN1CC[C@H](NC(=O)c2cccc(C3CCC3)c2)[C@H]1C ZINC001088977904 778964657 /nfs/dbraw/zinc/96/46/57/778964657.db2.gz SDYNGZVSLHLULV-KDOFPFPSSA-N 0 1 296.414 2.780 20 30 CFEDMN C=CCN1CC[C@H](NC(=O)c2ccccc2Cl)[C@H]1C ZINC001088996873 778970297 /nfs/dbraw/zinc/97/02/97/778970297.db2.gz OKTLSWWCQMEVKF-RISCZKNCSA-N 0 1 278.783 2.719 20 30 CFEDMN CC#CCN1CC[C@H](NC(=O)[C@]2(C)CC=C(C)CC2)[C@H]1C ZINC001089055066 778982675 /nfs/dbraw/zinc/98/26/75/778982675.db2.gz UBZDUPKESMOQAD-SOLBZPMBSA-N 0 1 288.435 2.725 20 30 CFEDMN CC#CCN1CC[C@H](NC(=O)C23CCC(CC2)CC3)[C@H]1C ZINC001089054804 778983011 /nfs/dbraw/zinc/98/30/11/778983011.db2.gz HOIIEPJUSCCGHO-CTMQZQKCSA-N 0 1 288.435 2.559 20 30 CFEDMN C=CCN(CC=C)Cc1ccc(F)c(N2CCOCC2)c1 ZINC001236957489 778986318 /nfs/dbraw/zinc/98/63/18/778986318.db2.gz HUOALJACXKNGKB-UHFFFAOYSA-N 0 1 290.382 2.836 20 30 CFEDMN C#CCN1CC[C@H](NC(=O)[C@@]2(C)CCC(C)=C(C)C2)[C@H]1C ZINC001089067956 778987291 /nfs/dbraw/zinc/98/72/91/778987291.db2.gz DUVYOTKZRSTNQW-RYRKJORJSA-N 0 1 288.435 2.725 20 30 CFEDMN C=CCCCCCCN1CCN[C@H](C(F)(F)F)C1 ZINC001236979557 778989851 /nfs/dbraw/zinc/98/98/51/778989851.db2.gz FSKRJCPEIXQTLG-LBPRGKRZSA-N 0 1 264.335 2.959 20 30 CFEDMN COc1ccc(CN2CCC[C@@H](C#N)CC2)c(OC)c1 ZINC001203481147 779013544 /nfs/dbraw/zinc/01/35/44/779013544.db2.gz UWNYGWLTAQXDOB-CYBMUJFWSA-N 0 1 274.364 2.829 20 30 CFEDMN C=C1CCC(C(=O)NC2CN(CC3CC(C)(C)C3)C2)CC1 ZINC001030903653 779089393 /nfs/dbraw/zinc/08/93/93/779089393.db2.gz PWQIXVWMYMYTRB-UHFFFAOYSA-N 0 1 290.451 2.969 20 30 CFEDMN CCCCN(CC#N)Cc1[nH]nc2cc(OC)ccc21 ZINC001237387179 779091543 /nfs/dbraw/zinc/09/15/43/779091543.db2.gz COKLTXQFBYDGPP-UHFFFAOYSA-N 0 1 272.352 2.697 20 30 CFEDMN C=C(C)CN1CC[C@@H]1CN(C)C(=O)C[C@H](C)CC ZINC001233923418 779106913 /nfs/dbraw/zinc/10/69/13/779106913.db2.gz BMEABHFOKWNLAY-ZIAGYGMSSA-N 0 1 252.402 2.531 20 30 CFEDMN Cn1cc(CN2CCC(C#N)CC2)c2cc(C#N)ccc21 ZINC001237466346 779113702 /nfs/dbraw/zinc/11/37/02/779113702.db2.gz MJZQRYWMGVSPGC-UHFFFAOYSA-N 0 1 278.359 2.786 20 30 CFEDMN C#CCN1CC(C)(C)CC[C@H]1CNC(=O)[C@@]1(C)C=CCC1 ZINC001099165038 779115305 /nfs/dbraw/zinc/11/53/05/779115305.db2.gz JJLPFAZRKISXPI-YJBOKZPZSA-N 0 1 288.435 2.583 20 30 CFEDMN CN(Cc1ccc(C#N)cc1)Cc1ccn2nccc2c1 ZINC001237542103 779129616 /nfs/dbraw/zinc/12/96/16/779129616.db2.gz WARRIWJYLDGOJN-UHFFFAOYSA-N 0 1 276.343 2.838 20 30 CFEDMN CC1(C)CCN(Cc2cn3cc(C#N)ccc3n2)CC1 ZINC001237613262 779143310 /nfs/dbraw/zinc/14/33/10/779143310.db2.gz FMZNMKLUMRVVPC-UHFFFAOYSA-N 0 1 268.364 2.828 20 30 CFEDMN N#C[C@@H]1C[C@H]2CC[C@@H](C1)N2Cc1ccnc(OC(F)F)c1 ZINC001237616510 779144332 /nfs/dbraw/zinc/14/43/32/779144332.db2.gz APGRMFADBBZNDV-XYYAHUGASA-N 0 1 293.317 2.950 20 30 CFEDMN CC#CCN1CC(C)(C)CC[C@@H]1CNC(=O)C1(C)CCC1 ZINC001099174929 779147612 /nfs/dbraw/zinc/14/76/12/779147612.db2.gz CZXPRFXAXTXDIR-OAHLLOKOSA-N 0 1 290.451 2.807 20 30 CFEDMN N#Cc1cc(Cl)cc(CN2CCCC[C@@H](O)C2)c1 ZINC001237747667 779172893 /nfs/dbraw/zinc/17/28/93/779172893.db2.gz ZMUHCHSCCRCOFZ-CQSZACIVSA-N 0 1 264.756 2.558 20 30 CFEDMN CCc1ncc(CN2[C@@H]3CC[C@H]2C[C@H](C#N)C3)s1 ZINC001237828009 779189009 /nfs/dbraw/zinc/18/90/09/779189009.db2.gz GOBBQAFSXLHHGV-CNDDSTCGSA-N 0 1 261.394 2.972 20 30 CFEDMN COc1cc(-c2ccc[nH]2)[nH]c1CN1CCC(S)CC1 ZINC001237875954 779198122 /nfs/dbraw/zinc/19/81/22/779198122.db2.gz ASFYDZKKAIQMQB-UHFFFAOYSA-N 0 1 291.420 2.913 20 30 CFEDMN C=CCN(C)Cc1ccccc1Oc1cnccn1 ZINC001238013291 779232132 /nfs/dbraw/zinc/23/21/32/779232132.db2.gz IEAYTLPTTGZVJJ-UHFFFAOYSA-N 0 1 255.321 2.887 20 30 CFEDMN N#Cc1ccc(CN2CCCC3(COC3)C2)c(Cl)c1 ZINC001238083305 779249601 /nfs/dbraw/zinc/24/96/01/779249601.db2.gz QZDMAIKZNIJZBR-UHFFFAOYSA-N 0 1 276.767 2.824 20 30 CFEDMN N#Cc1ccc2c(c1)CN(Cc1cccc3cncn31)CC2 ZINC001238109062 779254648 /nfs/dbraw/zinc/25/46/48/779254648.db2.gz XYSWPQOBKDRGNS-UHFFFAOYSA-N 0 1 288.354 2.764 20 30 CFEDMN CCC[N@H+](CCC#N)Cc1ccc(C(=O)[O-])cc1C ZINC001238139262 779259396 /nfs/dbraw/zinc/25/93/96/779259396.db2.gz LBGJTBPWQGKJTM-UHFFFAOYSA-N 0 1 260.337 2.819 20 30 CFEDMN CCC[N@@H+](CCC#N)Cc1ccc(C(=O)[O-])cc1C ZINC001238139262 779259397 /nfs/dbraw/zinc/25/93/97/779259397.db2.gz LBGJTBPWQGKJTM-UHFFFAOYSA-N 0 1 260.337 2.819 20 30 CFEDMN N#C[C@H]1CCCN(Cc2cc(Cl)c(O)cc2F)C1 ZINC001238152756 779265388 /nfs/dbraw/zinc/26/53/88/779265388.db2.gz QQGYBDUYDHUINI-SECBINFHSA-N 0 1 268.719 2.920 20 30 CFEDMN C[C@@]1(O)CCCN(Cc2ccc(Cl)c(C#N)c2)CC1 ZINC001238189389 779274206 /nfs/dbraw/zinc/27/42/06/779274206.db2.gz QEEIOOZCOXSSEU-OAHLLOKOSA-N 0 1 278.783 2.949 20 30 CFEDMN C=C1O[C@H](C)C(=O)C1Oc1cc(OCC)ncc1Cl ZINC001234933206 779285918 /nfs/dbraw/zinc/28/59/18/779285918.db2.gz ZYRCIUMZOVZUTF-SSDOTTSWSA-N 0 1 283.711 2.732 20 30 CFEDMN C=C1O[C@@H](C)C(=O)C1Oc1cc(OCC)ncc1Cl ZINC001234933207 779286215 /nfs/dbraw/zinc/28/62/15/779286215.db2.gz ZYRCIUMZOVZUTF-ZETCQYMHSA-N 0 1 283.711 2.732 20 30 CFEDMN C=CCN1CCN([C@@H](C)Cc2cccc(F)c2)CC1 ZINC001168489044 779303153 /nfs/dbraw/zinc/30/31/53/779303153.db2.gz BSABIPGXARXRFY-AWEZNQCLSA-N 0 1 262.372 2.560 20 30 CFEDMN COc1cc(CN2[C@@H]3CC[C@H]2C[C@H](C#N)C3)ccc1C#N ZINC001238409385 779307738 /nfs/dbraw/zinc/30/77/38/779307738.db2.gz JETXSEUSCZPQLV-MKZZRHPPSA-N 0 1 281.359 2.833 20 30 CFEDMN C=CCCC(=O)N1CC[C@H](NC/C(Cl)=C\Cl)[C@H]1C ZINC001278231316 779311175 /nfs/dbraw/zinc/31/11/75/779311175.db2.gz FPYPBORSWSPRBU-IFTRRALSSA-N 0 1 291.222 2.851 20 30 CFEDMN C#CCN1CC[C@](C)(NC(=O)[C@H]2CC[C@H](C(C)C)CC2)C1 ZINC001046726704 779330613 /nfs/dbraw/zinc/33/06/13/779330613.db2.gz PLUHFFIYVBUFPJ-BQFCYCMXSA-N 0 1 290.451 2.663 20 30 CFEDMN CCn1ccnc1[C@@H](C#N)C(=O)C1(C(F)F)CCC1 ZINC001123336563 779381933 /nfs/dbraw/zinc/38/19/33/779381933.db2.gz ISJJWQPUEIWDIJ-VIFPVBQESA-N 0 1 267.279 2.515 20 30 CFEDMN C=C(C)[C@@H]1CC=C(CN2CC[C@@H](N)C(F)(F)C2)CC1 ZINC001235911809 779406216 /nfs/dbraw/zinc/40/62/16/779406216.db2.gz NHGKGZAIOCNLPS-ZIAGYGMSSA-N 0 1 270.367 2.957 20 30 CFEDMN N#Cc1c[nH]c2ccnc(-c3cnn(C(F)F)c3)c12 ZINC001238863156 779406607 /nfs/dbraw/zinc/40/66/07/779406607.db2.gz JJJYDBZAKYUEFK-UHFFFAOYSA-N 0 1 259.219 2.693 20 30 CFEDMN C=C(Cl)CNCCNC(=O)c1cscc1C(F)F ZINC001127491675 779496146 /nfs/dbraw/zinc/49/61/46/779496146.db2.gz KIMVSDWGJIVOLJ-UHFFFAOYSA-N 0 1 294.754 2.758 20 30 CFEDMN CCCCCCCOC(=O)N1CCNCC12CC2 ZINC001239329663 779518682 /nfs/dbraw/zinc/51/86/82/779518682.db2.gz DBYGCLNQRFLDTM-UHFFFAOYSA-N 0 1 254.374 2.531 20 30 CFEDMN CC#CCN1CC(C)(C)CC[C@H]1CNC(=O)C1CCCC1 ZINC001089601847 779538231 /nfs/dbraw/zinc/53/82/31/779538231.db2.gz QBYAUIBTECFRLU-INIZCTEOSA-N 0 1 290.451 2.807 20 30 CFEDMN CCCCCCCCCNC(=S)N1CCN[C@@H](C)C1 ZINC001239416338 779557303 /nfs/dbraw/zinc/55/73/03/779557303.db2.gz RVRCYINHHVFNEN-AWEZNQCLSA-N 0 1 285.501 2.905 20 30 CFEDMN CCCCCCCCC(=O)C(C#N)C(=O)NC(C)C ZINC000130797265 779562956 /nfs/dbraw/zinc/56/29/56/779562956.db2.gz MFLXJUBAUQBNAV-ZDUSSCGKSA-N 0 1 266.385 2.970 20 30 CFEDMN C=CCN1CC(CNC(=O)[C@@H]2CC[C@@H](c3ccccc3)C2)C1 ZINC001031761644 779592225 /nfs/dbraw/zinc/59/22/25/779592225.db2.gz AFWJXGDSCIGQJA-QZTJIDSGSA-N 0 1 298.430 2.804 20 30 CFEDMN C=C(C)CN1CC(CNC(=O)[C@H]2CCCC[C@@H]2C2CC2)C1 ZINC001031873171 779655976 /nfs/dbraw/zinc/65/59/76/779655976.db2.gz NEQWXEKVUPOUSX-SJORKVTESA-N 0 1 290.451 2.827 20 30 CFEDMN C=CCCC(=O)NCCNCc1sccc1Cl ZINC001124635898 779699485 /nfs/dbraw/zinc/69/94/85/779699485.db2.gz CJTJYIVOMLDOGH-UHFFFAOYSA-N 0 1 272.801 2.574 20 30 CFEDMN C=C(C)CN1CC(CNC(=O)c2scnc2C(C)C)C1 ZINC001032036097 779717467 /nfs/dbraw/zinc/71/74/67/779717467.db2.gz RUPVHMHNDCOQAN-UHFFFAOYSA-N 0 1 293.436 2.504 20 30 CFEDMN C=CCN1CC(CNC(=O)c2ccc(C(C)(F)F)cc2)C1 ZINC001032232672 779777660 /nfs/dbraw/zinc/77/76/60/779777660.db2.gz CUTKHQWXHPWHPF-UHFFFAOYSA-N 0 1 294.345 2.646 20 30 CFEDMN C=C(Cl)C[N@H+]1CC[C@@]2(CNC(=O)CCC)CCC[C@@H]12 ZINC001107261489 779826345 /nfs/dbraw/zinc/82/63/45/779826345.db2.gz CXTVAKXAZQIAPS-UKRRQHHQSA-N 0 1 284.831 2.900 20 30 CFEDMN C=C(Cl)CN1CC[C@@]2(CNC(=O)CCC)CCC[C@@H]12 ZINC001107261489 779826351 /nfs/dbraw/zinc/82/63/51/779826351.db2.gz CXTVAKXAZQIAPS-UKRRQHHQSA-N 0 1 284.831 2.900 20 30 CFEDMN COc1ccc([C@H](C)[C@H](C)NCCC#N)cc1OC ZINC000355129859 779845655 /nfs/dbraw/zinc/84/56/55/779845655.db2.gz IXXLQNRBHSBXLD-NEPJUHHUSA-N 0 1 262.353 2.699 20 30 CFEDMN CN(C)Cc1ccc(-c2cc(F)c(C#N)c(F)c2)nc1 ZINC001239920909 779859655 /nfs/dbraw/zinc/85/96/55/779859655.db2.gz FECOOLTVFYPOQW-UHFFFAOYSA-N 0 1 273.286 2.960 20 30 CFEDMN C=CCCCN1CCO[C@@](C)(CNC(=O)/C(C)=C/CC)C1 ZINC001107784691 779898377 /nfs/dbraw/zinc/89/83/77/779898377.db2.gz YLTRJAOYZDJJSJ-FVLHSZHDSA-N 0 1 294.439 2.516 20 30 CFEDMN C=CCC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@]1(C)CC=CCC1 ZINC001032421691 779951357 /nfs/dbraw/zinc/95/13/57/779951357.db2.gz ZGNSWHKCMCXJDK-YQQAZPJKSA-N 0 1 274.408 2.594 20 30 CFEDMN C=CCCN1C[C@@H]2C[C@H]1CN2C(=O)[C@]1(C)CC=CCC1 ZINC001032421691 779951362 /nfs/dbraw/zinc/95/13/62/779951362.db2.gz ZGNSWHKCMCXJDK-YQQAZPJKSA-N 0 1 274.408 2.594 20 30 CFEDMN C=C(C)CCC(=O)NC[C@]1(C)CN(CCC(C)C)CCO1 ZINC001107977582 780052306 /nfs/dbraw/zinc/05/23/06/780052306.db2.gz OTTMBCJHMNPCNM-QGZVFWFLSA-N 0 1 296.455 2.596 20 30 CFEDMN Cn1cc(-c2cc(/C=N/O)cc(C(F)(F)F)c2)ccc1=O ZINC001240333645 780088458 /nfs/dbraw/zinc/08/84/58/780088458.db2.gz XGQZTPARDBBXDS-CNHKJKLMSA-N 0 1 296.248 2.879 20 30 CFEDMN N#Cc1cc(-c2cc(/C=N/[O-])ccc2F)cc(C2C[NH2+]C2)c1 ZINC001240356663 780107648 /nfs/dbraw/zinc/10/76/48/780107648.db2.gz VZBLTDRVLVKSLX-ODCIPOBUSA-N 0 1 295.317 2.859 20 30 CFEDMN N#Cc1nccc(C2=CCCN(Cc3ccccc3)C2)n1 ZINC001240385017 780129453 /nfs/dbraw/zinc/12/94/53/780129453.db2.gz KGTBOGJNXQIBKS-UHFFFAOYSA-N 0 1 276.343 2.638 20 30 CFEDMN C=C(Cl)CNCCNC(=O)c1cccc2c1CCCC2 ZINC001128069743 780130632 /nfs/dbraw/zinc/13/06/32/780130632.db2.gz GCPKGEFZNJHQFL-UHFFFAOYSA-N 0 1 292.810 2.637 20 30 CFEDMN C=C(C)CN1C[C@@H]2C[C@H]1CN2C(=O)C[C@H](C)c1ccco1 ZINC001032736221 780159486 /nfs/dbraw/zinc/15/94/86/780159486.db2.gz APSSABRMBVULBN-KKUMJFAQSA-N 0 1 288.391 2.634 20 30 CFEDMN C#CCCN1C[C@@H]2C[C@H]1CN2C(=O)CCC1CCCCC1 ZINC001032764906 780198013 /nfs/dbraw/zinc/19/80/13/780198013.db2.gz QDLAQSQMKNLDFU-IRXDYDNUSA-N 0 1 288.435 2.655 20 30 CFEDMN C=C(C)CN1CC[C@]2(CCCN2Cc2ccsc2)C1=O ZINC001272937099 780314638 /nfs/dbraw/zinc/31/46/38/780314638.db2.gz YCCUYXFEUFNSJO-MRXNPFEDSA-N 0 1 290.432 2.891 20 30 CFEDMN C=CCCN1C[C@@H]2C[C@H]1CN2C(=O)c1c(C)cccc1F ZINC001032817522 780316444 /nfs/dbraw/zinc/31/64/44/780316444.db2.gz LFBNXUAHGMMCHT-KBPBESRZSA-N 0 1 288.366 2.609 20 30 CFEDMN C=C(C)CN1CC[C@]2(CCCN2Cc2cccc(C)n2)C1=O ZINC001272944487 780340646 /nfs/dbraw/zinc/34/06/46/780340646.db2.gz NOFCGLJORUWXQN-GOSISDBHSA-N 0 1 299.418 2.533 20 30 CFEDMN C=CC(C)(C)CC(=O)NCCNCc1nc(C)c(C)s1 ZINC001128242348 780369681 /nfs/dbraw/zinc/36/96/81/780369681.db2.gz NNWQXVMTWQWTJH-UHFFFAOYSA-N 0 1 295.452 2.568 20 30 CFEDMN N#Cc1cnc(CN[C@H]2Cc3cccc(Cl)c3C2)s1 ZINC001168704414 780433275 /nfs/dbraw/zinc/43/32/75/780433275.db2.gz NBIUAHOUMJZYGW-JTQLQIEISA-N 0 1 289.791 2.925 20 30 CFEDMN Cc1ccnc(-c2ccc(N3CCN(C)CC3)cc2)c1C#N ZINC001240850014 780476115 /nfs/dbraw/zinc/47/61/15/780476115.db2.gz WDYWFVOHMNATRF-UHFFFAOYSA-N 0 1 292.386 2.681 20 30 CFEDMN C=CCN1CC[C@@]2(CCCN2Cc2cc(C)c(C)o2)C1=O ZINC001273012139 780518158 /nfs/dbraw/zinc/51/81/58/780518158.db2.gz MVVHKVJFUJKKSI-KRWDZBQOSA-N 0 1 288.391 2.649 20 30 CFEDMN C=C(C)CN1CC[C@@H](N(C)C(=O)c2ccoc2Cl)C1 ZINC001033032849 780537529 /nfs/dbraw/zinc/53/75/29/780537529.db2.gz LHBRLKLBBKYKLX-LLVKDONJSA-N 0 1 282.771 2.655 20 30 CFEDMN C=CCC(C)(C)C(=O)N[C@H](C)CCNCc1nocc1C ZINC001273044049 780562574 /nfs/dbraw/zinc/56/25/74/780562574.db2.gz JZRYCEDAKZSLOS-CYBMUJFWSA-N 0 1 293.411 2.570 20 30 CFEDMN C=C1O[C@H](CC)C(=O)C1Oc1cc(F)c(F)cc1C#N ZINC001229840290 780577475 /nfs/dbraw/zinc/57/74/75/780577475.db2.gz DNBOGLYQPNWGKN-LLVKDONJSA-N 0 1 279.242 2.825 20 30 CFEDMN COc1cc(-c2cc3[nH]cnc3c(C#N)n2)ccc1C ZINC001241032397 780605171 /nfs/dbraw/zinc/60/51/71/780605171.db2.gz INEGCLCWRYZPJV-UHFFFAOYSA-N 0 1 264.288 2.814 20 30 CFEDMN COc1ccc(-c2cc3[nH]cnc3c(C#N)n2)c(F)c1F ZINC001241039923 780609533 /nfs/dbraw/zinc/60/95/33/780609533.db2.gz UTVPLMCUKJQKAG-UHFFFAOYSA-N 0 1 286.241 2.783 20 30 CFEDMN N#Cc1nc(-c2cc(F)cc(F)c2F)cc2[nH]cnc21 ZINC001241081230 780630257 /nfs/dbraw/zinc/63/02/57/780630257.db2.gz IGVHEXBLAOPGBY-UHFFFAOYSA-N 0 1 274.205 2.914 20 30 CFEDMN N#Cc1ccnc(-c2c(F)cc(O)cc2F)c1F ZINC001241119232 780647263 /nfs/dbraw/zinc/64/72/63/780647263.db2.gz ZSSBXXBNLPWYKO-UHFFFAOYSA-N 0 1 250.179 2.743 20 30 CFEDMN C=CCN1CC[C@@H](N(C)C(=O)c2cc3cc(C)ccc3[nH]2)C1 ZINC001033316947 780648718 /nfs/dbraw/zinc/64/87/18/780648718.db2.gz AZZPLQBTNCVALZ-OAHLLOKOSA-N 0 1 297.402 2.809 20 30 CFEDMN C=CCN1CC[C@H](N(C)C(=O)c2ccc3ncccc3c2)C1 ZINC001033379509 780667293 /nfs/dbraw/zinc/66/72/93/780667293.db2.gz VSIRYTVCYHGLFO-INIZCTEOSA-N 0 1 295.386 2.567 20 30 CFEDMN C=CCN1CC[C@@H](N(C)C(=O)c2c(C)cccc2Cl)C1 ZINC001033387331 780674072 /nfs/dbraw/zinc/67/40/72/780674072.db2.gz IAYPZOOPYQPMHB-CYBMUJFWSA-N 0 1 292.810 2.981 20 30 CFEDMN C=CCN1CC[C@H](N(C)C(=O)[C@H](C)c2ccsc2)C1 ZINC001033410872 780676509 /nfs/dbraw/zinc/67/65/09/780676509.db2.gz UMHIRZQEUBTTSG-OCCSQVGLSA-N 0 1 278.421 2.570 20 30 CFEDMN C=CCN1CC[C@H](N(C)C(=O)c2cccc3[nH]ccc32)C1 ZINC001033446111 780682922 /nfs/dbraw/zinc/68/29/22/780682922.db2.gz FGUPJMJNHSMIQK-ZDUSSCGKSA-N 0 1 283.375 2.500 20 30 CFEDMN C=CCN1CC[C@@H](N(C)C(=O)c2cccc3[nH]ccc32)C1 ZINC001033446110 780683941 /nfs/dbraw/zinc/68/39/41/780683941.db2.gz FGUPJMJNHSMIQK-CYBMUJFWSA-N 0 1 283.375 2.500 20 30 CFEDMN C#C[C@@H](NC(=O)c1ccc(CN(CC)CC)o1)C(C)C ZINC000700591932 780702656 /nfs/dbraw/zinc/70/26/56/780702656.db2.gz CIRCMFTXIUHESA-CQSZACIVSA-N 0 1 276.380 2.509 20 30 CFEDMN C=C(C)CN1CC[C@@H](N(C)C(=O)c2oc(CC)cc2C)C1 ZINC001033588846 780720290 /nfs/dbraw/zinc/72/02/90/780720290.db2.gz LPLWZHMYNZTYLM-CQSZACIVSA-N 0 1 290.407 2.873 20 30 CFEDMN C=CCN1CC[C@@H](N(C)C(=O)c2cc(CC)c(CC)o2)C1 ZINC001033593819 780721915 /nfs/dbraw/zinc/72/19/15/780721915.db2.gz MTUORTBFZVXASY-CQSZACIVSA-N 0 1 290.407 2.737 20 30 CFEDMN C=CCN1CC[C@@H](N(C)C(=O)c2ccc(C)c(C)c2)C1 ZINC001033633520 780736024 /nfs/dbraw/zinc/73/60/24/780736024.db2.gz BEEUOTCRGLEQPW-MRXNPFEDSA-N 0 1 272.392 2.636 20 30 CFEDMN C=CCN1CC[C@H](N(C)C(=O)c2cc3ccccc3o2)C1 ZINC001033635328 780737364 /nfs/dbraw/zinc/73/73/64/780737364.db2.gz HWYFANPHUHQDDP-AWEZNQCLSA-N 0 1 284.359 2.765 20 30 CFEDMN C=CCN1CC[C@@H](N(C)C(=O)c2ccc(C)cc2C)C1 ZINC001033633605 780737715 /nfs/dbraw/zinc/73/77/15/780737715.db2.gz WSMYBHVDKWALHA-OAHLLOKOSA-N 0 1 272.392 2.636 20 30 CFEDMN C=CCN1CC[C@@H](N(C)C(=O)c2cc3c(s2)CCC3)C1 ZINC001033638337 780738468 /nfs/dbraw/zinc/73/84/68/780738468.db2.gz AQFSPBTYUAAZQY-CYBMUJFWSA-N 0 1 290.432 2.569 20 30 CFEDMN C=CCN1CC[C@@H](N(C)C(=O)[C@]2(C)CC=C(C)CC2)C1 ZINC001033677921 780746255 /nfs/dbraw/zinc/74/62/55/780746255.db2.gz FGATXVYLYFUUAF-NVXWUHKLSA-N 0 1 276.424 2.842 20 30 CFEDMN C=CCN1CC[C@@H](N(C)C(=O)c2cncc3ccccc32)C1 ZINC001033682035 780749038 /nfs/dbraw/zinc/74/90/38/780749038.db2.gz ZIMKSTDOBOEZFW-OAHLLOKOSA-N 0 1 295.386 2.567 20 30 CFEDMN C=CCN1CC[C@H](N(C)C(=O)c2sccc2CC)C1 ZINC001033682906 780749478 /nfs/dbraw/zinc/74/94/78/780749478.db2.gz DHAKZLKOPXLLTJ-ZDUSSCGKSA-N 0 1 278.421 2.643 20 30 CFEDMN C#CCN1CC[C@@H](N(C)C(=O)c2ccc([C@@H](C)CC)cc2)C1 ZINC001033690134 780754752 /nfs/dbraw/zinc/75/47/52/780754752.db2.gz QHCWLUUTOBPVNL-MAUKXSAKSA-N 0 1 298.430 2.980 20 30 CFEDMN CC#CCN1CC[C@@H](N(CC)C(=O)c2ccccc2C)C1 ZINC001033734494 780769296 /nfs/dbraw/zinc/76/92/96/780769296.db2.gz QPLCGVOTJDPNLY-MRXNPFEDSA-N 0 1 284.403 2.555 20 30 CFEDMN CC#CCN1CC[C@@H](N(CC)C(=O)c2cccc(C)c2)C1 ZINC001033737400 780769797 /nfs/dbraw/zinc/76/97/97/780769797.db2.gz OKYJELGVLIZSPC-QGZVFWFLSA-N 0 1 284.403 2.555 20 30 CFEDMN CN1CC=C(c2nc3c(cc2C#N)CCCC3)CC1 ZINC001241312523 780774228 /nfs/dbraw/zinc/77/42/28/780774228.db2.gz DMNTYMBMDLLFFH-UHFFFAOYSA-N 0 1 253.349 2.551 20 30 CFEDMN C=CCN1CC[C@@H](N(CC)C(=O)[C@H]2[C@@H]3CCCC[C@@H]32)C1 ZINC001033786710 780786699 /nfs/dbraw/zinc/78/66/99/780786699.db2.gz NSIOJCYLLZTUBK-WCVJEAGWSA-N 0 1 276.424 2.531 20 30 CFEDMN C#CC[N@@H+]1CC[C@H](N(CC)C(=O)[C@@H]2CCCC3(CC3)C2)C1 ZINC001033834137 780803083 /nfs/dbraw/zinc/80/30/83/780803083.db2.gz TVISGZQRWWHZJL-CVEARBPZSA-N 0 1 288.435 2.513 20 30 CFEDMN C#CCN1CC[C@H](N(CC)C(=O)[C@@H]2CCCC3(CC3)C2)C1 ZINC001033834137 780803096 /nfs/dbraw/zinc/80/30/96/780803096.db2.gz TVISGZQRWWHZJL-CVEARBPZSA-N 0 1 288.435 2.513 20 30 CFEDMN CC#CCN1CC[C@H](N(CC)C(=O)[C@@H]2CCCC2(C)C)C1 ZINC001033926983 780824977 /nfs/dbraw/zinc/82/49/77/780824977.db2.gz HQXSJPHNLMTOLX-HOTGVXAUSA-N 0 1 290.451 2.759 20 30 CFEDMN C=CCN1CC[C@@H](N(CC)C(=O)[C@H]2CC[C@@H]3C[C@@H]3CC2)C1 ZINC001033909748 780825315 /nfs/dbraw/zinc/82/53/15/780825315.db2.gz ZVMLAUSFGPMBFB-YYIAUSFCSA-N 0 1 290.451 2.922 20 30 CFEDMN C=CC[N@@H+]1CC[C@H](N(CC)C(=O)c2ccc(C)cc2F)C1 ZINC001033972057 780843596 /nfs/dbraw/zinc/84/35/96/780843596.db2.gz KSWXSBCVSPTTJT-AWEZNQCLSA-N 0 1 290.382 2.857 20 30 CFEDMN C=CCN1CC[C@H](N(CC)C(=O)c2ccc(C)cc2F)C1 ZINC001033972057 780843602 /nfs/dbraw/zinc/84/36/02/780843602.db2.gz KSWXSBCVSPTTJT-AWEZNQCLSA-N 0 1 290.382 2.857 20 30 CFEDMN COc1cncc(CNCc2ccc(C)c(C#N)c2)c1 ZINC000701868010 780846790 /nfs/dbraw/zinc/84/67/90/780846790.db2.gz PYHAZDCMIQEGKV-UHFFFAOYSA-N 0 1 267.332 2.560 20 30 CFEDMN C=CC[N@@H+]1CC[C@H](N(CC)C(=O)c2cc3ccccc3[nH]2)C1 ZINC001034039663 780862087 /nfs/dbraw/zinc/86/20/87/780862087.db2.gz OIQMRNZEQCDHBV-HNNXBMFYSA-N 0 1 297.402 2.890 20 30 CFEDMN C=CCN1CC[C@H](N(CC)C(=O)c2cc3ccccc3[nH]2)C1 ZINC001034039663 780862094 /nfs/dbraw/zinc/86/20/94/780862094.db2.gz OIQMRNZEQCDHBV-HNNXBMFYSA-N 0 1 297.402 2.890 20 30 CFEDMN C=CCN1CCCC[C@H](NC(=O)c2ccc(Cl)o2)C1 ZINC001034101490 780893857 /nfs/dbraw/zinc/89/38/57/780893857.db2.gz MCLFGASSYJZSSW-NSHDSACASA-N 0 1 282.771 2.703 20 30 CFEDMN C#C[C@H](NCc1cccc2c1OCCCO2)C(C)(C)C ZINC000702250049 780900497 /nfs/dbraw/zinc/90/04/97/780900497.db2.gz DGFHJMIOCGJVKH-HNNXBMFYSA-N 0 1 273.376 2.985 20 30 CFEDMN C=C(C)C[N@H+]1CCCC[C@@H](NC(=O)c2cnc(C)s2)C1 ZINC001034127662 780901314 /nfs/dbraw/zinc/90/13/14/780901314.db2.gz MRMQRUYLALCLSG-CYBMUJFWSA-N 0 1 293.436 2.612 20 30 CFEDMN C=C(C)CN1CCCC[C@@H](NC(=O)c2cnc(C)s2)C1 ZINC001034127662 780901320 /nfs/dbraw/zinc/90/13/20/780901320.db2.gz MRMQRUYLALCLSG-CYBMUJFWSA-N 0 1 293.436 2.612 20 30 CFEDMN C=CCN1CCCC[C@@H](NC(=O)c2cc(C)cs2)C1 ZINC001034206248 780922506 /nfs/dbraw/zinc/92/25/06/780922506.db2.gz HHGPVFVQOAEJCT-CYBMUJFWSA-N 0 1 278.421 2.827 20 30 CFEDMN C#CCN1CCCC[C@H](NC(=O)c2csc(C)c2C)C1 ZINC001034225211 780929032 /nfs/dbraw/zinc/92/90/32/780929032.db2.gz HKZXGFPCMBPNAD-AWEZNQCLSA-N 0 1 290.432 2.582 20 30 CFEDMN C#CCN1CCCC[C@H](NC(=O)C2(C)CCCCCC2)C1 ZINC001034251671 780934072 /nfs/dbraw/zinc/93/40/72/780934072.db2.gz YAHNVAPWFMEOIJ-INIZCTEOSA-N 0 1 290.451 2.951 20 30 CFEDMN C=CCN1CCCC[C@H](NC(=O)c2cc3cnccc3o2)C1 ZINC001034298799 780940319 /nfs/dbraw/zinc/94/03/19/780940319.db2.gz ZXQSJFXVUOHONU-AWEZNQCLSA-N 0 1 299.374 2.598 20 30 CFEDMN C=CCN1CCCC[C@H](NC(=O)c2occc2Cl)C1 ZINC001034386507 780962275 /nfs/dbraw/zinc/96/22/75/780962275.db2.gz DCQGSBUMMRNMLK-NSHDSACASA-N 0 1 282.771 2.703 20 30 CFEDMN CC#CCN1CCCC[C@H](NC(=O)[C@@H]2C[C@H]2CC(C)C)C1 ZINC001034409527 780965310 /nfs/dbraw/zinc/96/53/10/780965310.db2.gz WOYHFMMTMGBIKK-IXDOHACOSA-N 0 1 290.451 2.663 20 30 CFEDMN C#CCN1CCCC[C@@H](NC(=O)c2ccsc2Cl)C1 ZINC001034431905 780974985 /nfs/dbraw/zinc/97/49/85/780974985.db2.gz PZWHZIYKLLXSAO-LLVKDONJSA-N 0 1 296.823 2.619 20 30 CFEDMN C=CCN1CCCC[C@H](NC(=O)c2ncccc2Cl)C1 ZINC001034497273 780983629 /nfs/dbraw/zinc/98/36/29/780983629.db2.gz QRYSPJLUSHRREU-LBPRGKRZSA-N 0 1 293.798 2.505 20 30 CFEDMN CC#CCN1CCCC[C@@H](NC(=O)[C@H](C)c2ccccc2)C1 ZINC001034495368 780983819 /nfs/dbraw/zinc/98/38/19/780983819.db2.gz VALPEULJAMDBPG-SJLPKXTDSA-N 0 1 298.430 2.784 20 30 CFEDMN C=CCN1CCCC[C@H](NC(=O)c2sccc2OC)C1 ZINC001034497771 780983972 /nfs/dbraw/zinc/98/39/72/780983972.db2.gz GPUKFRDILVYYGH-LBPRGKRZSA-N 0 1 294.420 2.527 20 30 CFEDMN C=CCN1CCCC[C@@H](NC(=O)c2ccc(F)cc2F)C1 ZINC001034509983 780988794 /nfs/dbraw/zinc/98/87/94/780988794.db2.gz BDYRMHLVXVWVAM-CYBMUJFWSA-N 0 1 294.345 2.735 20 30 CFEDMN C#CCN1CCCC[C@@H](NC(=O)c2ccc(C)cc2C)C1 ZINC001034517796 780989484 /nfs/dbraw/zinc/98/94/84/780989484.db2.gz DHJWXBREUWMVOD-MRXNPFEDSA-N 0 1 284.403 2.521 20 30 CFEDMN CC#CCN1CCCC[C@H](NC(=O)C2CCC=CCC2)C1 ZINC001034530203 780990975 /nfs/dbraw/zinc/99/09/75/780990975.db2.gz AZOWRODALAAROQ-KRWDZBQOSA-N 0 1 288.435 2.727 20 30 CFEDMN C#CCN1CCCC[C@@H](NC(=O)[C@]2(C)CC=C(C)CC2)C1 ZINC001034535172 780993774 /nfs/dbraw/zinc/99/37/74/780993774.db2.gz CGYJHQALJRUOFC-SJLPKXTDSA-N 0 1 288.435 2.727 20 30 CFEDMN Cc1[nH]nc2cc(-c3ncc4c(C#N)c[nH]c4n3)ccc12 ZINC001241638175 781037302 /nfs/dbraw/zinc/03/73/02/781037302.db2.gz JPVSIXOJZTXEEQ-UHFFFAOYSA-N 0 1 274.287 2.681 20 30 CFEDMN Cc1[nH]nc2cc(-c3ncc(C#N)cc3F)ccc12 ZINC001241638707 781037789 /nfs/dbraw/zinc/03/77/89/781037789.db2.gz UUNRGXARDPISCT-UHFFFAOYSA-N 0 1 252.252 2.944 20 30 CFEDMN Cc1[nH]nc2cc(-c3nccc(F)c3C#N)ccc12 ZINC001241638204 781038000 /nfs/dbraw/zinc/03/80/00/781038000.db2.gz KPVOZOFVAVXDKZ-UHFFFAOYSA-N 0 1 252.252 2.944 20 30 CFEDMN Nc1ncc(-c2cccc(/C=N/O)c2)c(C(F)(F)F)n1 ZINC001241653020 781048514 /nfs/dbraw/zinc/04/85/14/781048514.db2.gz YLKTUCRUKBVENO-BLLMUTORSA-N 0 1 282.225 2.553 20 30 CFEDMN C=C[C@@H](CC)CC(=O)NC[C@]1(C)CN(CCCC)CCO1 ZINC001108151825 781051075 /nfs/dbraw/zinc/05/10/75/781051075.db2.gz UZDQSTIVJRULAG-DOTOQJQBSA-N 0 1 296.455 2.596 20 30 CFEDMN COc1ccc(C)c(-c2cc3[nH]cnc3c(C#N)n2)c1 ZINC001241665227 781057743 /nfs/dbraw/zinc/05/77/43/781057743.db2.gz YCICWYGCECFRSG-UHFFFAOYSA-N 0 1 264.288 2.814 20 30 CFEDMN N#Cc1nc2[nH]ccc2cc1-c1ccc2nc[nH]c2c1 ZINC001241697920 781079076 /nfs/dbraw/zinc/07/90/76/781079076.db2.gz OVELIJSWZKIRPE-UHFFFAOYSA-N 0 1 259.272 2.929 20 30 CFEDMN CC(C)=CC(=O)N1CCC[C@@H]1CNCc1ccccc1C#N ZINC001034848952 781086298 /nfs/dbraw/zinc/08/62/98/781086298.db2.gz BOBUQZUARBELPA-QGZVFWFLSA-N 0 1 297.402 2.605 20 30 CFEDMN C=C(Cl)CN1CCC2(C1)CCN(C(=O)CC1CC1)CC2 ZINC001035151191 781116365 /nfs/dbraw/zinc/11/63/65/781116365.db2.gz WPRMDZSTZMJELM-UHFFFAOYSA-N 0 1 296.842 2.854 20 30 CFEDMN C=CCN1CC2(C1)CCN(C(=O)CC(C)(C)C1CC1)CC2 ZINC001035701596 781160128 /nfs/dbraw/zinc/16/01/28/781160128.db2.gz DWRALDSCTUQBAC-UHFFFAOYSA-N 0 1 290.451 2.923 20 30 CFEDMN C=CCN1CC2(C1)CCN(C(=O)C[C@@H]1CC[C@H]3C[C@H]31)CC2 ZINC001035742180 781162852 /nfs/dbraw/zinc/16/28/52/781162852.db2.gz QYFLWDUUSRCUPZ-HRCADAONSA-N 0 1 288.435 2.533 20 30 CFEDMN C=CCN1CC2(C1)CCN(C(=O)[C@H]1CCCC1(C)C)CC2 ZINC001035771076 781166614 /nfs/dbraw/zinc/16/66/14/781166614.db2.gz PJUURZAHLVVDMX-OAHLLOKOSA-N 0 1 290.451 2.923 20 30 CFEDMN C=CCN1CC2(C1)CCN(C(=O)C(C)(C)CC)CC2 ZINC001035780216 781168139 /nfs/dbraw/zinc/16/81/39/781168139.db2.gz CFWKJWCXFYTALN-UHFFFAOYSA-N 0 1 264.413 2.533 20 30 CFEDMN C=CCN1CC2(C1)CCN(C(=O)[C@]1(C)CCC[C@@H]1C)CC2 ZINC001035786594 781168851 /nfs/dbraw/zinc/16/88/51/781168851.db2.gz AOZSMYLGBVOXQZ-DOTOQJQBSA-N 0 1 290.451 2.923 20 30 CFEDMN C=C[C@@](C)(CC)C(=O)N1CCC2(CN(CC#CC)C2)CC1 ZINC001035785150 781169002 /nfs/dbraw/zinc/16/90/02/781169002.db2.gz OPSJIGNGQVFFCR-KRWDZBQOSA-N 0 1 288.435 2.536 20 30 CFEDMN C=CCN1CC2(C1)CCN(C(=O)C[C@@H](C)C1CC1)CC2 ZINC001035857688 781180306 /nfs/dbraw/zinc/18/03/06/781180306.db2.gz QRKAWJBLGMANCK-CQSZACIVSA-N 0 1 276.424 2.533 20 30 CFEDMN C=C(Cl)CN1CC[C@H]2CN(C(=O)C3CCCC3)CC[C@H]21 ZINC001036620954 781303680 /nfs/dbraw/zinc/30/36/80/781303680.db2.gz MUFGTGALROQWIB-LSDHHAIUSA-N 0 1 296.842 2.852 20 30 CFEDMN CN(C)c1ccccc1-c1cc2[nH]cnc2c(C#N)n1 ZINC001242172507 781312118 /nfs/dbraw/zinc/31/21/18/781312118.db2.gz NOWUSZOXCUHHRJ-UHFFFAOYSA-N 0 1 263.304 2.563 20 30 CFEDMN N#Cc1nc(-c2cncc(C3CC3)c2)cc2[nH]cnc21 ZINC001242193971 781321283 /nfs/dbraw/zinc/32/12/83/781321283.db2.gz LNRJYUHBUYEWID-UHFFFAOYSA-N 0 1 261.288 2.769 20 30 CFEDMN COc1cccc(-c2ccc(CN(C)C)cn2)c1C#N ZINC001242298367 781379149 /nfs/dbraw/zinc/37/91/49/781379149.db2.gz KUMGQDSUIFXQOI-UHFFFAOYSA-N 0 1 267.332 2.690 20 30 CFEDMN N#Cc1ncccc1-c1nc[nH]c2nc(=S)sc1-2 ZINC001242308906 781385012 /nfs/dbraw/zinc/38/50/12/781385012.db2.gz KWYBSHBLOWQCAS-UHFFFAOYSA-N 0 1 271.330 2.634 20 30 CFEDMN C=CCN(Cc1cc(C(=O)OC)cs1)C(C)C ZINC000711422158 781431490 /nfs/dbraw/zinc/43/14/90/781431490.db2.gz YMPBJJSXYWCPIP-UHFFFAOYSA-N 0 1 253.367 2.931 20 30 CFEDMN CC1(C)CC(=O)C=C(c2cc3[nH]cnc3c(C#N)n2)C1 ZINC001242314248 781392186 /nfs/dbraw/zinc/39/21/86/781392186.db2.gz KWQMGHDMIWOTBU-UHFFFAOYSA-N 0 1 266.304 2.602 20 30 CFEDMN C=C(Cl)CN1CC[C@@H]2CN(C(=O)CC3CCC3)CC[C@H]21 ZINC001036677493 781404711 /nfs/dbraw/zinc/40/47/11/781404711.db2.gz CJSBNFNCTXINPY-HUUCEWRRSA-N 0 1 296.842 2.852 20 30 CFEDMN C=CCCCN1CCO[C@](C)(CNC(=O)C(C)(C)CC)C1 ZINC001108173184 781432162 /nfs/dbraw/zinc/43/21/62/781432162.db2.gz MTNCMPOJJPFFLO-QGZVFWFLSA-N 0 1 296.455 2.596 20 30 CFEDMN O/N=C/c1ccc(F)c(-c2cnn(C(F)(F)F)c2)c1 ZINC001242465351 781520484 /nfs/dbraw/zinc/52/04/84/781520484.db2.gz ZVAFDVBGVWHPOV-HAVNEIBRSA-N 0 1 273.189 2.974 20 30 CFEDMN COC(=O)c1cc2c(cncc2N=C(C)CC(C)=O)s1 ZINC001163739231 781564300 /nfs/dbraw/zinc/56/43/00/781564300.db2.gz OATPWXOOCBYGJT-YWEYNIOJSA-N 0 1 290.344 2.988 20 30 CFEDMN N#Cc1cc(-c2cc3nc[nH]c3cc2F)ccc1O ZINC001242566656 781606156 /nfs/dbraw/zinc/60/61/56/781606156.db2.gz JVAFXUFOWQLVGB-UHFFFAOYSA-N 0 1 253.236 2.946 20 30 CFEDMN C=CCN1C[C@@H](C)[C@H](NC(=O)c2cccc(Cl)c2C)C1 ZINC001079738807 781618363 /nfs/dbraw/zinc/61/83/63/781618363.db2.gz QORAVSKHNDTSSP-IAQYHMDHSA-N 0 1 292.810 2.885 20 30 CFEDMN Cc1ccc(-c2ccc(N3CCN(C)CC3)cn2)c(C#N)c1 ZINC001242594883 781626485 /nfs/dbraw/zinc/62/64/85/781626485.db2.gz WPKRSUBKGZVYGN-UHFFFAOYSA-N 0 1 292.386 2.681 20 30 CFEDMN C=CCN1C[C@@H](C)[C@H](NC(=O)c2ccc(C)c(F)c2F)C1 ZINC001080486524 781662630 /nfs/dbraw/zinc/66/26/30/781662630.db2.gz NZZHRPKJUFLBHW-DGCLKSJQSA-N 0 1 294.345 2.509 20 30 CFEDMN C#CCN1C[C@@H](C)[C@H](NC(=O)[C@]2(C)CC[C@H](C)C2(C)C)C1 ZINC001080558766 781667136 /nfs/dbraw/zinc/66/71/36/781667136.db2.gz CQKPWQGAJUIBGB-FSZRXZPDSA-N 0 1 290.451 2.519 20 30 CFEDMN CCOc1cncc(-c2nccc3[nH]cc(C#N)c32)c1 ZINC001242657246 781674830 /nfs/dbraw/zinc/67/48/30/781674830.db2.gz IIMAPBZGCUPXKV-UHFFFAOYSA-N 0 1 264.288 2.895 20 30 CFEDMN C=CCN1C[C@@H](C)[C@H](NC(=O)c2ccccc2Cl)C1 ZINC001080825531 781680878 /nfs/dbraw/zinc/68/08/78/781680878.db2.gz REIFZZSJCNRLNC-BXUZGUMPSA-N 0 1 278.783 2.576 20 30 CFEDMN CC#CCN1C[C@@H](C)[C@H](NC(=O)[C@@H]2CCCCC2(C)C)C1 ZINC001081020124 781696299 /nfs/dbraw/zinc/69/62/99/781696299.db2.gz SGWQERZGSQWESJ-OWCLPIDISA-N 0 1 290.451 2.663 20 30 CFEDMN N#Cc1nc(-c2ccccc2-n2cccn2)cc2[nH]cnc21 ZINC001242709277 781710570 /nfs/dbraw/zinc/71/05/70/781710570.db2.gz NSCQPPUVMQUBSP-UHFFFAOYSA-N 0 1 286.298 2.682 20 30 CFEDMN C=CCN1CC[C@@H]2CN(C(=O)c3cccc(C(C)C)n3)[C@@H]2C1 ZINC001084490276 781797866 /nfs/dbraw/zinc/79/78/66/781797866.db2.gz WWPGXMVTWDFCFJ-RHSMWYFYSA-N 0 1 299.418 2.537 20 30 CFEDMN N#CC[C@@H]1CCCN(c2nc3[nH]cnc3cc2Cl)C1 ZINC001166742168 781800300 /nfs/dbraw/zinc/80/03/00/781800300.db2.gz CFAHVNMSTKKYAP-VIFPVBQESA-N 0 1 275.743 2.741 20 30 CFEDMN O/N=C/c1cc(-c2ccncn2)cc(C(F)(F)F)c1 ZINC001242917666 781839440 /nfs/dbraw/zinc/83/94/40/781839440.db2.gz HLUFIIXKYMCEEJ-NGYBGAFCSA-N 0 1 267.210 2.971 20 30 CFEDMN C=CCN1CC[C@@H]2CN(C(=O)c3cc4ccccc4[nH]3)[C@@H]2C1 ZINC001084818532 781842396 /nfs/dbraw/zinc/84/23/96/781842396.db2.gz HONXJBHKRFBQHY-RHSMWYFYSA-N 0 1 295.386 2.500 20 30 CFEDMN C=CCN1CC[C@@H]2CN(C(=O)[C@@H]3CCCCC3(C)C)[C@@H]2C1 ZINC001084859819 781846698 /nfs/dbraw/zinc/84/66/98/781846698.db2.gz MZLLGGBCPVEUMD-OWCLPIDISA-N 0 1 290.451 2.922 20 30 CFEDMN CN(Cc1cn(CC2(CC#N)CC2)nn1)C1CCCCC1 ZINC000594653067 349468553 /nfs/dbraw/zinc/46/85/53/349468553.db2.gz XOFMSNIIWZYIRU-UHFFFAOYSA-N 0 1 287.411 2.736 20 30 CFEDMN Cc1cc(CNCc2ccc(C3(C#N)CC3)cc2)[nH]n1 ZINC000594921186 349508382 /nfs/dbraw/zinc/50/83/82/349508382.db2.gz JNARWVODXXNGBZ-UHFFFAOYSA-N 0 1 266.348 2.563 20 30 CFEDMN C#CCN1CCC(C(=O)N2CCCc3cc(C)ccc32)CC1 ZINC000067707355 346815541 /nfs/dbraw/zinc/81/55/41/346815541.db2.gz QWDJEHYOSHKFAY-UHFFFAOYSA-N 0 1 296.414 2.619 20 30 CFEDMN Cc1cc(CNCc2ccc(C3(C#N)CC3)cc2)ncn1 ZINC000594934411 349517008 /nfs/dbraw/zinc/51/70/08/349517008.db2.gz FBLFEHXTCRAMHG-UHFFFAOYSA-N 0 1 278.359 2.630 20 30 CFEDMN N#Cc1cccc(OCCN(Cc2cccnc2)C2CC2)c1 ZINC000124702021 187149307 /nfs/dbraw/zinc/14/93/07/187149307.db2.gz FZAQCSAZVWVTTG-UHFFFAOYSA-N 0 1 293.370 2.997 20 30 CFEDMN Cc1nnsc1CNCc1ccc(C2(C#N)CC2)cc1 ZINC000594940364 349521183 /nfs/dbraw/zinc/52/11/83/349521183.db2.gz ASYYQJMUFCNYGJ-UHFFFAOYSA-N 0 1 284.388 2.692 20 30 CFEDMN C=CCCn1cc(CN[C@@H]2CCCC[C@H]2SC)nn1 ZINC000594948089 349524755 /nfs/dbraw/zinc/52/47/55/349524755.db2.gz KTZOSALFGZAPEU-ZIAGYGMSSA-N 0 1 280.441 2.618 20 30 CFEDMN CCc1nn(C)cc1CNC(C)(C)c1cccc(C#N)c1 ZINC000594967882 349534045 /nfs/dbraw/zinc/53/40/45/349534045.db2.gz ISMWOPHFGJWGDO-UHFFFAOYSA-N 0 1 282.391 2.879 20 30 CFEDMN CCn1nnc(C)c1CNC(C)(C)c1cccc(C#N)c1 ZINC000594970160 349535809 /nfs/dbraw/zinc/53/58/09/349535809.db2.gz UTPCOTCMTGYOJV-UHFFFAOYSA-N 0 1 283.379 2.503 20 30 CFEDMN C=C(C)CN(CC)C(=O)c1[nH]nc2ccc([N+](=O)[O-])cc21 ZINC000067794201 346819702 /nfs/dbraw/zinc/81/97/02/346819702.db2.gz UPXWFRXGNFBNCL-UHFFFAOYSA-N 0 1 288.307 2.509 20 30 CFEDMN C[C@H](N[C@H]1CCCn2nccc21)c1ccc(C#N)cc1 ZINC000595008109 349546641 /nfs/dbraw/zinc/54/66/41/349546641.db2.gz QJMKOKISKMWFHA-WFASDCNBSA-N 0 1 266.348 2.940 20 30 CFEDMN COc1cc([N+](=O)[O-])ccc1[C@@H](C)NCC1(CC#N)CC1 ZINC000595055270 349566487 /nfs/dbraw/zinc/56/64/87/349566487.db2.gz VJYYGRDCTNPCPK-LLVKDONJSA-N 0 1 289.335 2.948 20 30 CFEDMN CC(C)CNC(=O)CCCN(CCC#N)CC(C)(C)C ZINC000595329432 349603237 /nfs/dbraw/zinc/60/32/37/349603237.db2.gz SKUQLNATDMMJQC-UHFFFAOYSA-N 0 1 281.444 2.801 20 30 CFEDMN COC(=O)C1(N(C)CCc2ccc(C#N)cc2)CCCC1 ZINC000595383415 349613555 /nfs/dbraw/zinc/61/35/55/349613555.db2.gz NDZVJMVCCGTCSP-UHFFFAOYSA-N 0 1 286.375 2.518 20 30 CFEDMN CC[C@@H](CC(F)F)CN1CCN([C@H](C#N)C(C)C)CC1 ZINC000595396016 349616476 /nfs/dbraw/zinc/61/64/76/349616476.db2.gz BLJCRLTVDNPRRC-UONOGXRCSA-N 0 1 287.398 2.834 20 30 CFEDMN CC[C@]1(C)COCCN1CCc1ccc(C#N)cc1 ZINC000595400337 349616852 /nfs/dbraw/zinc/61/68/52/349616852.db2.gz LEQJGBGDZSHSNO-MRXNPFEDSA-N 0 1 258.365 2.602 20 30 CFEDMN CC[C@@]1(C)COCCN1CCc1ccc(C#N)cc1 ZINC000595400335 349616865 /nfs/dbraw/zinc/61/68/65/349616865.db2.gz LEQJGBGDZSHSNO-INIZCTEOSA-N 0 1 258.365 2.602 20 30 CFEDMN COC(=O)[C@@H]1CCCCCN1CCc1ccc(C#N)cc1 ZINC000595429833 349623546 /nfs/dbraw/zinc/62/35/46/349623546.db2.gz KHVKFONYFSZQKC-INIZCTEOSA-N 0 1 286.375 2.518 20 30 CFEDMN N#CC[C@@H]1CCCN(CCOc2ccc([N+](=O)[O-])cc2)C1 ZINC000595613381 349676066 /nfs/dbraw/zinc/67/60/66/349676066.db2.gz CMCWPKVJVNRMFT-ZDUSSCGKSA-N 0 1 289.335 2.599 20 30 CFEDMN C[C@@H]1CCCCN1C(=O)CNC(C)(C)c1cccc(C#N)c1 ZINC000595635526 349684632 /nfs/dbraw/zinc/68/46/32/349684632.db2.gz LSHBYXCCDHBTFY-CQSZACIVSA-N 0 1 299.418 2.784 20 30 CFEDMN Cc1cc(C#N)ccc1CN1CCO[C@](C)(C2CC2)C1 ZINC000595625117 349681940 /nfs/dbraw/zinc/68/19/40/349681940.db2.gz LHFOOKZWZFQTGO-KRWDZBQOSA-N 0 1 270.376 2.868 20 30 CFEDMN C=CCCCN1CCN(c2ccsc2C#N)CC1 ZINC000595632965 349683452 /nfs/dbraw/zinc/68/34/52/349683452.db2.gz RHPKVXHEJIRXBU-UHFFFAOYSA-N 0 1 261.394 2.708 20 30 CFEDMN CCN(C[C@H](C)C#N)C(=O)CN1CCC(C2CCC2)CC1 ZINC000595661390 349693589 /nfs/dbraw/zinc/69/35/89/349693589.db2.gz ZYQCENUEWHBIRT-CQSZACIVSA-N 0 1 291.439 2.507 20 30 CFEDMN CN(c1ccccc1)[C@@H]1CCN(CC2(C#N)CC2)C1 ZINC000595825693 349743810 /nfs/dbraw/zinc/74/38/10/349743810.db2.gz FKGMTRNPLYVOAJ-OAHLLOKOSA-N 0 1 255.365 2.501 20 30 CFEDMN COc1ccc2c(c1)CCN(CCC(C)(C)C#N)C2 ZINC000595759252 349725649 /nfs/dbraw/zinc/72/56/49/349725649.db2.gz LDYHSNGHMBKMGE-UHFFFAOYSA-N 0 1 258.365 2.993 20 30 CFEDMN C=CCN(CC(=O)Nc1ccccc1[N+](=O)[O-])C(C)(C)C ZINC000595764501 349727652 /nfs/dbraw/zinc/72/76/52/349727652.db2.gz CLUWRRBEMPCWLY-UHFFFAOYSA-N 0 1 291.351 2.820 20 30 CFEDMN N#Cc1cc(Cl)ccc1CN[C@H]1C[C@H](O)C12CCC2 ZINC000595781499 349731617 /nfs/dbraw/zinc/73/16/17/349731617.db2.gz LGLHXQGKRWOKRV-KBPBESRZSA-N 0 1 276.767 2.605 20 30 CFEDMN C[C@@H]1CCN(Cc2ccc(F)c(C#N)c2)C[C@H](C)O1 ZINC000595780746 349731714 /nfs/dbraw/zinc/73/17/14/349731714.db2.gz MJXFSOXJWQRJJC-NEPJUHHUSA-N 0 1 262.328 2.697 20 30 CFEDMN C[C@@H]1CCN(Cc2ccc(C#N)c(F)c2)C[C@H](C)O1 ZINC000595781076 349731776 /nfs/dbraw/zinc/73/17/76/349731776.db2.gz QTAWZPXULUGGLW-NEPJUHHUSA-N 0 1 262.328 2.697 20 30 CFEDMN N#CCC[C@H](C#N)CN1CCC[C@H]([C@@H]2CCCCO2)C1 ZINC000595791910 349734763 /nfs/dbraw/zinc/73/47/63/349734763.db2.gz XZRRUCCFOXIWJS-PMPSAXMXSA-N 0 1 275.396 2.711 20 30 CFEDMN N#Cc1cnccc1CN1CCC[C@H]([C@H]2CCCCO2)C1 ZINC000595791140 349734894 /nfs/dbraw/zinc/73/48/94/349734894.db2.gz ZTERCUJLVVQELL-DOTOQJQBSA-N 0 1 285.391 2.734 20 30 CFEDMN N#Cc1ccc(CC[N@@H+]2CCC[C@H](CCC(=O)[O-])C2)cc1 ZINC000595879513 349759924 /nfs/dbraw/zinc/75/99/24/349759924.db2.gz SFDZQWXWNBVFGJ-MRXNPFEDSA-N 0 1 286.375 2.678 20 30 CFEDMN COC(=O)c1cccc(CN(C)C[C@@H]2CC2(C)C)c1C#N ZINC000595909142 349766080 /nfs/dbraw/zinc/76/60/80/349766080.db2.gz MSZFORCLGLFJIS-ZDUSSCGKSA-N 0 1 286.375 2.823 20 30 CFEDMN N#Cc1cccc(CN2CCC(c3ccon3)CC2)c1 ZINC000595838734 349750722 /nfs/dbraw/zinc/75/07/22/349750722.db2.gz VHLLDWNLIPPCFO-UHFFFAOYSA-N 0 1 267.332 2.926 20 30 CFEDMN COCC[C@H](c1ccccc1)N1CC[C@@](C)(C#N)C1 ZINC000595842862 349753172 /nfs/dbraw/zinc/75/31/72/349753172.db2.gz HWORXODKKZCMNZ-CVEARBPZSA-N 0 1 258.365 3.000 20 30 CFEDMN CC(C)(C)c1ccc(C#N)c(N2CCCc3[nH]ncc3C2)n1 ZINC000596001996 349775725 /nfs/dbraw/zinc/77/57/25/349775725.db2.gz CYXDOBRVKJRVPU-UHFFFAOYSA-N 0 1 295.390 2.927 20 30 CFEDMN C[C@@H](C[N@H+]1CCC[C@@H](C)C1)N=c1[n-]c(C#N)c(Cl)s1 ZINC000596086042 349790683 /nfs/dbraw/zinc/79/06/83/349790683.db2.gz SWGAMARTJIYILH-ZJUUUORDSA-N 0 1 298.843 2.622 20 30 CFEDMN C[C@H](CN=c1[n-]c(C#N)c(Cl)s1)C[NH+]1CCCCC1 ZINC000596085093 349790735 /nfs/dbraw/zinc/79/07/35/349790735.db2.gz ILMCKQXVUMVHTP-SNVBAGLBSA-N 0 1 298.843 2.624 20 30 CFEDMN CC(C)c1nc(CNc2ccc(F)cc2C#N)n[nH]1 ZINC000294996828 199291292 /nfs/dbraw/zinc/29/12/92/199291292.db2.gz QZQUJMHBPUVCQX-UHFFFAOYSA-N 0 1 259.288 2.551 20 30 CFEDMN C[C@H](CCN=c1[n-]c(C#N)c(Cl)s1)[NH+]1CCCCC1 ZINC000596193406 349823172 /nfs/dbraw/zinc/82/31/72/349823172.db2.gz MFFLDCIYOIIOFC-SNVBAGLBSA-N 0 1 298.843 2.766 20 30 CFEDMN CC(C)c1nc([C@@H](C)Nc2nc(C#N)c(Cl)s2)n[nH]1 ZINC000596181179 349819302 /nfs/dbraw/zinc/81/93/02/349819302.db2.gz YFCPWJJKDCHWQF-ZCFIWIBFSA-N 0 1 296.787 2.505 20 30 CFEDMN N#CCN(C(=O)c1ccc(Nc2ccncc2)cc1)C1CC1 ZINC000073054886 346957912 /nfs/dbraw/zinc/95/79/12/346957912.db2.gz YKWJOFANAMKAGY-UHFFFAOYSA-N 0 1 292.342 2.953 20 30 CFEDMN CC[C@@H](C)[C@H](CNc1nc(C#N)c(Cl)s1)OC ZINC000596249651 349840139 /nfs/dbraw/zinc/84/01/39/349840139.db2.gz JQFREQIZFROXJM-APPZFPTMSA-N 0 1 273.789 2.563 20 30 CFEDMN CN(CC#Cc1ccccc1Cl)[C@@H]1CCCOC1 ZINC000352220397 529823591 /nfs/dbraw/zinc/82/35/91/529823591.db2.gz IDJCHRLKNGGNJF-CQSZACIVSA-N 0 1 263.768 2.802 20 30 CFEDMN CC(C)(C)N1CC[C@H]1CNc1c(C#N)cccc1[N+](=O)[O-] ZINC000596309256 349859409 /nfs/dbraw/zinc/85/94/09/349859409.db2.gz QWOWHVWZEIELFP-LBPRGKRZSA-N 0 1 288.351 2.751 20 30 CFEDMN N#CCSCCCN1CCN(Cc2cccs2)CC1 ZINC000074981434 347046725 /nfs/dbraw/zinc/04/67/25/347046725.db2.gz FGPADKHGLAFYNW-UHFFFAOYSA-N 0 1 295.477 2.513 20 30 CFEDMN CN1CCC[C@@H]1C(=O)N[C@@H](C#N)c1ccc(C(C)(C)C)cc1 ZINC000114076085 530056684 /nfs/dbraw/zinc/05/66/84/530056684.db2.gz PXZSQOYOURRHRR-JKSUJKDBSA-N 0 1 299.418 2.759 20 30 CFEDMN C=CCOCCNCc1cc(Br)ccc1F ZINC000303548711 539474164 /nfs/dbraw/zinc/47/41/64/539474164.db2.gz AMCJONCJVWBALR-UHFFFAOYSA-N 0 1 288.160 2.880 20 30 CFEDMN CO[C@@H]1CCN(Cc2ccc(C#N)cc2F)CC1(C)C ZINC000295121641 199357163 /nfs/dbraw/zinc/35/71/63/199357163.db2.gz XLVAVZBCELCEEH-OAHLLOKOSA-N 0 1 276.355 2.944 20 30 CFEDMN C#C[C@@H](NCc1ccc([N+](=O)[O-])cc1Cl)C(C)C ZINC000305923011 651087031 /nfs/dbraw/zinc/08/70/31/651087031.db2.gz MPSNPDAWLZOJJQ-CYBMUJFWSA-N 0 1 266.728 2.996 20 30 CFEDMN C[C@@](C#N)(NC(=O)CN1CCC[C@@H]1c1ccccc1)C1CC1 ZINC000010090044 346226782 /nfs/dbraw/zinc/22/67/82/346226782.db2.gz ACYFMACRBOZWBU-AEFFLSMTSA-N 0 1 297.402 2.632 20 30 CFEDMN C#CCOc1ccc(CNCc2cnn(CC(C)C)c2)cc1 ZINC000295134385 199364232 /nfs/dbraw/zinc/36/42/32/199364232.db2.gz YXQZYHGHIVSNET-UHFFFAOYSA-N 0 1 297.402 2.841 20 30 CFEDMN CN(Cc1ccc(C#N)cc1)C(=O)c1cccc2c[nH]nc21 ZINC000032618241 346306215 /nfs/dbraw/zinc/30/62/15/346306215.db2.gz KWPWMDQOXRGAFQ-UHFFFAOYSA-N 0 1 290.326 2.707 20 30 CFEDMN CCCN(CC(=O)NCC(C)C)Cc1ccc(C#N)cc1 ZINC000047739981 346458538 /nfs/dbraw/zinc/45/85/38/346458538.db2.gz CEHPNARWAORVNS-UHFFFAOYSA-N 0 1 287.407 2.542 20 30 CFEDMN CCN(CCCOc1ccc(OC)cc1)C[C@@H](C)C#N ZINC000066424359 346760059 /nfs/dbraw/zinc/76/00/59/346760059.db2.gz QIGGDJHBRASBAS-AWEZNQCLSA-N 0 1 276.380 2.946 20 30 CFEDMN C[C@@H]1CCCCN1CC(=O)N(C)C1(C#N)CCCCC1 ZINC000066560119 346767367 /nfs/dbraw/zinc/76/73/67/346767367.db2.gz FIORIKUDXALRSW-CQSZACIVSA-N 0 1 277.412 2.546 20 30 CFEDMN C[C@@H]1CCCN1Cc1nnc(-c2cccc(C#N)c2)o1 ZINC000076115494 347123409 /nfs/dbraw/zinc/12/34/09/347123409.db2.gz YCYURLHZOHUCKH-LLVKDONJSA-N 0 1 268.320 2.593 20 30 CFEDMN C#CCN1CCC(C(=O)N2CC[C@H](C)c3ccccc32)CC1 ZINC000067203833 346794563 /nfs/dbraw/zinc/79/45/63/346794563.db2.gz IGGCGIYTDFYYGP-HNNXBMFYSA-N 0 1 296.414 2.872 20 30 CFEDMN C#CCN1CCC([C@@H](O)c2ccc(Cl)cc2)CC1 ZINC000067400507 346801713 /nfs/dbraw/zinc/80/17/13/346801713.db2.gz QANZOKPDUSSAQK-HNNXBMFYSA-N 0 1 263.768 2.719 20 30 CFEDMN C[C@@H](C(=O)N(CCC#N)c1ccc(F)cc1)N1CCCC1 ZINC000078605655 347265262 /nfs/dbraw/zinc/26/52/62/347265262.db2.gz QYDSYDAUIUHVKD-ZDUSSCGKSA-N 0 1 289.354 2.557 20 30 CFEDMN C[C@H]1CCCN(CCNc2snc(Cl)c2C#N)C1 ZINC000079914752 347331332 /nfs/dbraw/zinc/33/13/32/347331332.db2.gz SSXBNWYOZMXDMZ-VIFPVBQESA-N 0 1 284.816 2.812 20 30 CFEDMN CC#CCN(Cc1ccccc1)C[C@@H](O)c1ccco1 ZINC000084134884 347457448 /nfs/dbraw/zinc/45/74/48/347457448.db2.gz JQBVFFDCHRYLPD-MRXNPFEDSA-N 0 1 269.344 2.839 20 30 CFEDMN CN(CC(C)(C)C)[C@H]1CCN(c2sccc2C#N)C1=O ZINC000083186088 347449424 /nfs/dbraw/zinc/44/94/24/347449424.db2.gz RUJXNUPCIIYLCU-LBPRGKRZSA-N 0 1 291.420 2.703 20 30 CFEDMN C=CC[N@H+](CC(=O)[O-])Cc1ccc(C(F)(F)F)cc1 ZINC000092465465 347626893 /nfs/dbraw/zinc/62/68/93/347626893.db2.gz QRNFEHHJIMPFDP-UHFFFAOYSA-N 0 1 273.254 2.778 20 30 CFEDMN C=CC1CCN(CC(=O)NCC2CCCCC2)CC1 ZINC000111258857 347752981 /nfs/dbraw/zinc/75/29/81/347752981.db2.gz ZSFMYIUFEJGEGU-UHFFFAOYSA-N 0 1 264.413 2.581 20 30 CFEDMN CCN(CCCCC#N)CC(=O)Nc1c(F)cccc1F ZINC000198680857 348151253 /nfs/dbraw/zinc/15/12/53/348151253.db2.gz OYYRDVZJTXOXNU-UHFFFAOYSA-N 0 1 295.333 2.919 20 30 CFEDMN C=CCCCCCN(C)C(=O)c1cccc2nn[nH]c21 ZINC000188111329 348131574 /nfs/dbraw/zinc/13/15/74/348131574.db2.gz KWOCPRUSYISMEA-UHFFFAOYSA-N 0 1 272.352 2.776 20 30 CFEDMN CC(C)(C#N)CCCN[C@H](CO)c1c(F)cccc1F ZINC000273071924 348333032 /nfs/dbraw/zinc/33/30/32/348333032.db2.gz FMTKLSFPBIVPCD-CYBMUJFWSA-N 0 1 282.334 2.918 20 30 CFEDMN C=CCN1CC[C@@H](N(CC)Cc2c[nH]c3ccccc23)C1=O ZINC000337212478 348452698 /nfs/dbraw/zinc/45/26/98/348452698.db2.gz VOEIFOQJBGUUSW-QGZVFWFLSA-N 0 1 297.402 2.777 20 30 CFEDMN CCN(CC)[C@@H](C(=O)N[C@@H](C#N)C(C)C)c1ccccc1 ZINC000362044140 348507991 /nfs/dbraw/zinc/50/79/91/348507991.db2.gz JMYVYZMCHQNHGL-JKSUJKDBSA-N 0 1 287.407 2.734 20 30 CFEDMN CC[C@H]1CN(CCCOc2cccc(C#N)c2)[C@H](C)CO1 ZINC000403836544 348587486 /nfs/dbraw/zinc/58/74/86/348587486.db2.gz OOWHSJGCPYKTDH-ZBFHGGJFSA-N 0 1 288.391 2.826 20 30 CFEDMN CC[C@H]1COC(C)(C)CN1Cc1ccc(C#N)cc1 ZINC000403902144 348588058 /nfs/dbraw/zinc/58/80/58/348588058.db2.gz KLNYBJRZHDXHQF-HNNXBMFYSA-N 0 1 258.365 2.948 20 30 CFEDMN N#Cc1cnc(N2CCN(C3CCCCC3)CC2)c(F)c1 ZINC000413213176 233036006 /nfs/dbraw/zinc/03/60/06/233036006.db2.gz YBIGVEWVXCYMDT-UHFFFAOYSA-N 0 1 288.370 2.547 20 30 CFEDMN CCCn1nccc1C(=O)C(C#N)c1nc(C)cs1 ZINC000584731178 348711086 /nfs/dbraw/zinc/71/10/86/348711086.db2.gz DTSCFTXFURINBN-JTQLQIEISA-N 0 1 274.349 2.548 20 30 CFEDMN COc1cncc(CN[C@@H](C)c2cccc(C#N)c2)c1 ZINC000588965368 348806260 /nfs/dbraw/zinc/80/62/60/348806260.db2.gz QOSREOMGLPAHRT-LBPRGKRZSA-N 0 1 267.332 2.813 20 30 CFEDMN C=C[C@@H]1CCCCN1Cc1cnn(CC(F)(F)F)c1 ZINC000426556505 539667034 /nfs/dbraw/zinc/66/70/34/539667034.db2.gz BIWMBRBNYXMHLT-GFCCVEGCSA-N 0 1 273.302 2.986 20 30 CFEDMN CC(C)(CNCc1nc(C#N)cs1)[C@H]1CCCCO1 ZINC000589314657 348826649 /nfs/dbraw/zinc/82/66/49/348826649.db2.gz JVYPKEOBKLJZFK-GFCCVEGCSA-N 0 1 279.409 2.700 20 30 CFEDMN CN(C)[C@@H]1CCOc2c(NC(=O)CC3(C#N)CC3)cccc21 ZINC000590356314 348896298 /nfs/dbraw/zinc/89/62/98/348896298.db2.gz CFENOPDKODURDS-CQSZACIVSA-N 0 1 299.374 2.704 20 30 CFEDMN N#CC1CN(C(=O)c2cc(Cl)c3ccccc3c2O)C1 ZINC000590487556 348904354 /nfs/dbraw/zinc/90/43/54/348904354.db2.gz MCLCEZDYLLBCSE-UHFFFAOYSA-N 0 1 286.718 2.794 20 30 CFEDMN C[C@@H](CC#N)N(C)C[C@H]1CCCN(C(=O)C(C)(C)C)C1 ZINC000590602105 348913602 /nfs/dbraw/zinc/91/36/02/348913602.db2.gz FLYXJXHWYXHXSF-UONOGXRCSA-N 0 1 279.428 2.505 20 30 CFEDMN C=CCN(Cc1cccc([N+](=O)[O-])c1)[C@@H](CO)C(=C)C ZINC000591012097 348978637 /nfs/dbraw/zinc/97/86/37/348978637.db2.gz MPUYMWOIDOYEJX-HNNXBMFYSA-N 0 1 276.336 2.520 20 30 CFEDMN C=CCN(Cc1cccc([N+](=O)[O-])c1)[C@H](CO)C(=C)C ZINC000591012098 348978754 /nfs/dbraw/zinc/97/87/54/348978754.db2.gz MPUYMWOIDOYEJX-OAHLLOKOSA-N 0 1 276.336 2.520 20 30 CFEDMN Cc1cc(CN2CC[C@H](OC(F)F)C2)ccc1C#N ZINC000564783979 290231978 /nfs/dbraw/zinc/23/19/78/290231978.db2.gz CQAXYDPCFNHSNF-ZDUSSCGKSA-N 0 1 266.291 2.680 20 30 CFEDMN CC(C)[C@@H](C#N)N1CCN(CC2CCC(F)(F)CC2)CC1 ZINC000590954538 348971486 /nfs/dbraw/zinc/97/14/86/348971486.db2.gz IDGINHDOXOPMLG-OAHLLOKOSA-N 0 1 299.409 2.978 20 30 CFEDMN CC(C)c1ccccc1OC[C@H](O)CNCC(C)(C)C#N ZINC000591759403 349042173 /nfs/dbraw/zinc/04/21/73/349042173.db2.gz MKMMXCWLZWSHII-CQSZACIVSA-N 0 1 290.407 2.689 20 30 CFEDMN [O-]C(=[NH+]CCC1CCCCC1)N1CCn2cncc2C1 ZINC000329602920 539712035 /nfs/dbraw/zinc/71/20/35/539712035.db2.gz LCURQCFSZBZBRD-UHFFFAOYSA-N 0 1 276.384 2.583 20 30 CFEDMN CCS[C@@H]1CCC[C@@H]1NCc1ccncc1C#N ZINC000592121307 349086235 /nfs/dbraw/zinc/08/62/35/349086235.db2.gz GCGPXXFHOVRQAL-UONOGXRCSA-N 0 1 261.394 2.717 20 30 CFEDMN N#Cc1cnccc1CN1CCCC[C@@H]1[C@@H]1CCCC[C@@H]1O ZINC000592120478 349086395 /nfs/dbraw/zinc/08/63/95/349086395.db2.gz CISKDLYCYMXACZ-KSZLIROESA-N 0 1 299.418 2.859 20 30 CFEDMN CC(C)O[C@@H]1C[C@H](NCc2ccncc2C#N)C1(C)C ZINC000592124811 349086620 /nfs/dbraw/zinc/08/66/20/349086620.db2.gz HIXLKMQBDMYQQF-LSDHHAIUSA-N 0 1 273.380 2.635 20 30 CFEDMN N#C[C@@H](CCc1ccccc1)c1nc([C@@H]2CCCN2)no1 ZINC000592356360 349107623 /nfs/dbraw/zinc/10/76/23/349107623.db2.gz OTZOHRPIBIASAS-KGLIPLIRSA-N 0 1 282.347 2.734 20 30 CFEDMN CCN(C[C@@H](C)C#N)C(=O)CNC1(c2ccccc2C)CC1 ZINC000592139975 349090525 /nfs/dbraw/zinc/09/05/25/349090525.db2.gz QNXZRZACWPNTPD-AWEZNQCLSA-N 0 1 299.418 2.582 20 30 CFEDMN CC[C@H](c1ccc(F)cc1)N1CC[C@](O)(CC#N)C1 ZINC000592150523 349091336 /nfs/dbraw/zinc/09/13/36/349091336.db2.gz FVOVNMMJIWYNIS-HUUCEWRRSA-N 0 1 262.328 2.627 20 30 CFEDMN CC(C)Cn1nccc1CNCc1cccc(C#N)c1 ZINC000592362732 349109949 /nfs/dbraw/zinc/10/99/49/349109949.db2.gz KEUBCXFITNMJTR-UHFFFAOYSA-N 0 1 268.364 2.701 20 30 CFEDMN C[C@H](NCC1(CC#N)CC1)c1cc2n(n1)CCCC2 ZINC000592390482 349113784 /nfs/dbraw/zinc/11/37/84/349113784.db2.gz WXDOFBUKSAFMEL-LBPRGKRZSA-N 0 1 258.369 2.564 20 30 CFEDMN CCc1ncc(CN2CCC(CCC#N)CC2)cn1 ZINC000592517512 349131825 /nfs/dbraw/zinc/13/18/25/349131825.db2.gz OQTZUIDGVCAYNK-UHFFFAOYSA-N 0 1 258.369 2.555 20 30 CFEDMN CCCCOc1ccc(CN2CC[C@](O)(CC#N)C2)cc1 ZINC000592524281 349133475 /nfs/dbraw/zinc/13/34/75/349133475.db2.gz WYGBCPLWSJIBAY-QGZVFWFLSA-N 0 1 288.391 2.716 20 30 CFEDMN Cc1c(C#N)c(=NC(=O)c2ccc(C3CCC3)cc2)[nH]n1C ZINC000592651967 349145756 /nfs/dbraw/zinc/14/57/56/349145756.db2.gz WYZOMLRMHCHDRG-UHFFFAOYSA-N 0 1 294.358 2.542 20 30 CFEDMN C[C@@H]1CCCN(Cc2ccc(C#N)cc2[N+](=O)[O-])C1 ZINC000592996131 349183004 /nfs/dbraw/zinc/18/30/04/349183004.db2.gz PQOCQECHVRVQAB-LLVKDONJSA-N 0 1 259.309 2.698 20 30 CFEDMN Cn1cc(CN[C@@H]2CCOc3ccccc32)cc1C#N ZINC000189585071 282644316 /nfs/dbraw/zinc/64/43/16/282644316.db2.gz GAUVLOQTMVCEDV-OAHLLOKOSA-N 0 1 267.332 2.510 20 30 CFEDMN CC[C@H](C(=O)OC(C)(C)C)N(C)CCCCC#N ZINC000593124036 349216240 /nfs/dbraw/zinc/21/62/40/349216240.db2.gz QQQXNRKZCKIIPB-GFCCVEGCSA-N 0 1 254.374 2.732 20 30 CFEDMN C[C@@H]1CC[C@H](C(=O)OC(C)(C)C)N1CCCCC#N ZINC000593049576 349194054 /nfs/dbraw/zinc/19/40/54/349194054.db2.gz UUECZWMVISGAAX-CHWSQXEVSA-N 0 1 266.385 2.875 20 30 CFEDMN C[C@@H](CO)C1CCN(Cc2ccc(F)c(C#N)c2)CC1 ZINC000593082944 349204856 /nfs/dbraw/zinc/20/48/56/349204856.db2.gz JIKHJTFZZFUJHM-LBPRGKRZSA-N 0 1 276.355 2.538 20 30 CFEDMN N#Cc1ccc(C2(NCC(=O)NC3CCCC3)CCC2)cc1 ZINC000594032830 349357235 /nfs/dbraw/zinc/35/72/35/349357235.db2.gz REGGTIRQOXCNNF-UHFFFAOYSA-N 0 1 297.402 2.586 20 30 CFEDMN N#Cc1ccc(C2(NCc3ccnc(C#N)c3)CCC2)cc1 ZINC000594033555 349358530 /nfs/dbraw/zinc/35/85/30/349358530.db2.gz SLMJYGPARFYFBI-UHFFFAOYSA-N 0 1 288.354 2.994 20 30 CFEDMN C=CCCn1cc(CN[C@@H]2CCC[C@H]2SCC)nn1 ZINC000593997646 349349289 /nfs/dbraw/zinc/34/92/89/349349289.db2.gz VZWDHCAKQPARTF-ZIAGYGMSSA-N 0 1 280.441 2.618 20 30 CFEDMN Cc1ccnc([C@@H]2CCN(Cc3ccnc(C#N)c3)C2)c1 ZINC000594008445 349352002 /nfs/dbraw/zinc/35/20/02/349352002.db2.gz NXFNXTVGWNYXAH-OAHLLOKOSA-N 0 1 278.359 2.646 20 30 CFEDMN Cc1nc2ccc(NC(=O)CCCCC#N)cc2[nH]1 ZINC000594219075 349395828 /nfs/dbraw/zinc/39/58/28/349395828.db2.gz WBGWXCXAPBYBDJ-UHFFFAOYSA-N 0 1 256.309 2.894 20 30 CFEDMN CCN1CC[N@H+](Cc2ccc(C3(C#N)CC3)cc2)C[C@@H]1C ZINC000597003458 350015319 /nfs/dbraw/zinc/01/53/19/350015319.db2.gz HKAATELZJUMAAU-HNNXBMFYSA-N 0 1 283.419 2.768 20 30 CFEDMN CCn1nc(C)c(CN2CCC[C@@H](CC#N)C2)c1C ZINC000597173304 350043174 /nfs/dbraw/zinc/04/31/74/350043174.db2.gz IFXODHVRPPHOCE-AWEZNQCLSA-N 0 1 260.385 2.646 20 30 CFEDMN N#CC[C@@H]1CCCN(Cc2n[nH]c3ccccc32)C1 ZINC000597173879 350044427 /nfs/dbraw/zinc/04/44/27/350044427.db2.gz MMPBIZHKVOIXED-LBPRGKRZSA-N 0 1 254.337 2.689 20 30 CFEDMN N#CC[C@@H]1CCCN(Cc2[nH]nc3ccccc32)C1 ZINC000597173879 350044436 /nfs/dbraw/zinc/04/44/36/350044436.db2.gz MMPBIZHKVOIXED-LBPRGKRZSA-N 0 1 254.337 2.689 20 30 CFEDMN COc1ccc(CN2CCC[C@@H](CC#N)C2)c(OC)c1 ZINC000597174576 350044492 /nfs/dbraw/zinc/04/44/92/350044492.db2.gz RHJOIZAFHBBIJY-ZDUSSCGKSA-N 0 1 274.364 2.829 20 30 CFEDMN CCOc1cc(CN2CCC[C@H](CC#N)C2)ccc1O ZINC000597177443 350045095 /nfs/dbraw/zinc/04/50/95/350045095.db2.gz MJBSGEYHYFVOJX-CYBMUJFWSA-N 0 1 274.364 2.917 20 30 CFEDMN N#C[C@@H]1CCCC[C@H]1NCc1ccc2[nH]cnc2c1 ZINC000597199231 350053187 /nfs/dbraw/zinc/05/31/87/350053187.db2.gz SXZDTYIZVWOYBF-QWHCGFSZSA-N 0 1 254.337 2.735 20 30 CFEDMN N#C[C@@H]1CCCC[C@H]1NCc1ccc2nc[nH]c2c1 ZINC000597199231 350053191 /nfs/dbraw/zinc/05/31/91/350053191.db2.gz SXZDTYIZVWOYBF-QWHCGFSZSA-N 0 1 254.337 2.735 20 30 CFEDMN CC[C@H]1CN(C(=O)[C@@H](C)CC#N)CCN1Cc1ccccc1 ZINC000597503216 350106256 /nfs/dbraw/zinc/10/62/56/350106256.db2.gz BBNIZYAINPCPRM-RDJZCZTQSA-N 0 1 299.418 2.659 20 30 CFEDMN C[C@@H](CC#N)C(=O)N1CC[N@@H+](Cc2ccccc2)C[C@H](C)C1 ZINC000597734809 350130459 /nfs/dbraw/zinc/13/04/59/350130459.db2.gz DJWKKUWZEBOHOR-HOTGVXAUSA-N 0 1 299.418 2.517 20 30 CFEDMN N#Cc1ccc(CN[C@@H]2C[C@H]2c2ccco2)c(F)c1 ZINC000414562841 233294124 /nfs/dbraw/zinc/29/41/24/233294124.db2.gz BCRLWMGWKZEGCQ-TZMCWYRMSA-N 0 1 256.280 2.936 20 30 CFEDMN N#CC[C@H]1CCCN(C(=O)c2cc(-c3ccccc3)[nH]n2)C1 ZINC000597915706 350156707 /nfs/dbraw/zinc/15/67/07/350156707.db2.gz ILXNXWNWCQYDTK-CYBMUJFWSA-N 0 1 294.358 2.843 20 30 CFEDMN N#Cc1cccc(/C=C\c2nc(C3(N)CCCC3)no2)c1 ZINC000414619343 233304004 /nfs/dbraw/zinc/30/40/04/233304004.db2.gz NXMPAECGKQHZRU-SREVYHEPSA-N 0 1 280.331 2.840 20 30 CFEDMN C=CCCSCCNC(=O)c1[nH]nc2c1CCCCC2 ZINC000597967103 350163577 /nfs/dbraw/zinc/16/35/77/350163577.db2.gz NQYIPEFJTLJXAW-UHFFFAOYSA-N 0 1 293.436 2.718 20 30 CFEDMN C[C@H](C#N)N(C(=O)c1cc(C2CCCCC2)[nH]n1)C1CC1 ZINC000598133716 350206875 /nfs/dbraw/zinc/20/68/75/350206875.db2.gz RVSCIALEEUORQI-LLVKDONJSA-N 0 1 286.379 2.974 20 30 CFEDMN C[C@H](C#N)N(C(=O)c1cccc(C(F)(F)F)c1O)C1CC1 ZINC000598138193 350208893 /nfs/dbraw/zinc/20/88/93/350208893.db2.gz WRPVMHPVCPSRBM-MRVPVSSYSA-N 0 1 298.264 2.928 20 30 CFEDMN C=CCOCCNCc1sccc1Br ZINC000308561586 539784179 /nfs/dbraw/zinc/78/41/79/539784179.db2.gz WIEOQXLNZOEXTO-UHFFFAOYSA-N 0 1 276.199 2.803 20 30 CFEDMN CN(Cc1ccccc1F)C[C@@H](O)CC(C)(C)C#N ZINC000598584081 350285567 /nfs/dbraw/zinc/28/55/67/350285567.db2.gz IPBRMLFZHYQHTL-ZDUSSCGKSA-N 0 1 264.344 2.558 20 30 CFEDMN CC1(C)CC[C@H](CO)N(Cc2ccc(C#N)cc2F)C1 ZINC000598647290 350301683 /nfs/dbraw/zinc/30/16/83/350301683.db2.gz KNFZYUGJYUKADI-CQSZACIVSA-N 0 1 276.355 2.680 20 30 CFEDMN COc1nc(C)cc(C)c1CN(C)[C@@H]1CC[C@@H](C#N)C1 ZINC000598648756 350302617 /nfs/dbraw/zinc/30/26/17/350302617.db2.gz KMKQBZFCUYOWOS-ZIAGYGMSSA-N 0 1 273.380 2.831 20 30 CFEDMN COc1ccc(CN2CC(CC3CC3)C2)cc1C#N ZINC000598677764 350308251 /nfs/dbraw/zinc/30/82/51/350308251.db2.gz ITXAZLBFPXPWAS-UHFFFAOYSA-N 0 1 256.349 2.799 20 30 CFEDMN CC(C)(C#N)C[C@H](O)CN1CCO[C@@H](C2CCCCC2)C1 ZINC000598604663 350292070 /nfs/dbraw/zinc/29/20/70/350292070.db2.gz OZWAKINUSTWLKD-JKSUJKDBSA-N 0 1 294.439 2.568 20 30 CFEDMN Cc1cc(C#N)cc(NC(=O)[C@H]2C[C@H](C)Cc3cn[nH]c32)c1 ZINC000598936862 350347194 /nfs/dbraw/zinc/34/71/94/350347194.db2.gz DPVNTZMQZWFTHM-ABAIWWIYSA-N 0 1 294.358 2.894 20 30 CFEDMN CC[C@@H](C#N)C(=O)Nc1nc2cc(Cl)c(F)cc2[nH]1 ZINC000598782972 350329710 /nfs/dbraw/zinc/32/97/10/350329710.db2.gz ZNVDSTFZYPSPOH-LURJTMIESA-N 0 1 280.690 2.844 20 30 CFEDMN C[C@H]1CN(C)c2ccccc2CN1Cc1ccc(C#N)cn1 ZINC000598797709 350329821 /nfs/dbraw/zinc/32/98/21/350329821.db2.gz NYSPIKBHKCQQFP-AWEZNQCLSA-N 0 1 292.386 2.794 20 30 CFEDMN C#Cc1cccc(NC(=O)CN(C)CC(C)(C)C)c1 ZINC000092143904 180334066 /nfs/dbraw/zinc/33/40/66/180334066.db2.gz OVWQQKWPPXNADJ-UHFFFAOYSA-N 0 1 258.365 2.584 20 30 CFEDMN Cc1ccc(CN2CC[C@H]([C@@H](O)C(F)(F)F)C2)cc1C#N ZINC000599435005 350437629 /nfs/dbraw/zinc/43/76/29/350437629.db2.gz OUFLXTMFVIAQFQ-GXTWGEPZSA-N 0 1 298.308 2.612 20 30 CFEDMN C#CCCCCC(=O)Nc1cccc(-c2nnc[nH]2)c1 ZINC000271370596 191102205 /nfs/dbraw/zinc/10/22/05/191102205.db2.gz BRAJWCQIWKEPMH-UHFFFAOYSA-N 0 1 268.320 2.604 20 30 CFEDMN Cc1ccc(CN[C@H](CO)c2ccccc2C)cc1C#N ZINC000599356717 350422739 /nfs/dbraw/zinc/42/27/39/350422739.db2.gz FJXGFMSBPXTABE-GOSISDBHSA-N 0 1 280.371 2.998 20 30 CFEDMN C[C@@H]1CN(Cc2ccnc(C#N)c2)C[C@@H](C)C1(F)F ZINC000599512629 350447910 /nfs/dbraw/zinc/44/79/10/350447910.db2.gz LLWZMVHLWCXQCK-GHMZBOCLSA-N 0 1 265.307 2.676 20 30 CFEDMN C=CC[C@H]1CCN(Cc2cccc(C(=O)OC)c2C#N)C1 ZINC000599526697 350450201 /nfs/dbraw/zinc/45/02/01/350450201.db2.gz POMFQTXYEXYSPW-ZDUSSCGKSA-N 0 1 284.359 2.743 20 30 CFEDMN N#CCc1cccc2c1CCN(CCOCC1CCC1)C2 ZINC000599677644 350480025 /nfs/dbraw/zinc/48/00/25/350480025.db2.gz IRAUMAXIWGKAHN-UHFFFAOYSA-N 0 1 284.403 2.927 20 30 CFEDMN C/C=C\C[C@@H]1CCCN(CC(=O)N[C@@](C)(C#N)C(C)C)C1 ZINC000599691833 350483820 /nfs/dbraw/zinc/48/38/20/350483820.db2.gz SYUZCSLEXFASLF-FHYYHZITSA-N 0 1 291.439 2.719 20 30 CFEDMN COC[C@@]1(C)CN(CCC2(C#N)CCCCC2)CCO1 ZINC000599696856 350485019 /nfs/dbraw/zinc/48/50/19/350485019.db2.gz OFRFZUGTHMGOAV-OAHLLOKOSA-N 0 1 280.412 2.588 20 30 CFEDMN CN(CC(=O)NC1(c2ccc(C#N)cc2)CCC1)C1CCC1 ZINC000600826889 350617893 /nfs/dbraw/zinc/61/78/93/350617893.db2.gz GGEMDNVNWSJAIX-UHFFFAOYSA-N 0 1 297.402 2.538 20 30 CFEDMN COc1ccc(-c2ccc([C@@H]3COCCN3)cc2)cc1C#N ZINC000600787717 350611502 /nfs/dbraw/zinc/61/15/02/350611502.db2.gz DIBADVGJWQCMRK-KRWDZBQOSA-N 0 1 294.354 2.895 20 30 CFEDMN CCOC(=O)C1(C)CC(NCc2ccc(C#N)cc2F)C1 ZINC000601266855 350712416 /nfs/dbraw/zinc/71/24/16/350712416.db2.gz CNTFTDPROOATOQ-UHFFFAOYSA-N 0 1 290.338 2.519 20 30 CFEDMN C[C@@H]1[C@H](C)N(c2ncc(C#N)c3ccsc32)CCN1C ZINC000601136696 350679201 /nfs/dbraw/zinc/67/92/01/350679201.db2.gz JOAGOQGVAUXVMI-MNOVXSKESA-N 0 1 286.404 2.697 20 30 CFEDMN CCCCNc1cc(C)nc(N2CCC(CC#N)CC2)n1 ZINC000601140326 350680521 /nfs/dbraw/zinc/68/05/21/350680521.db2.gz WVWDYVLMIWGMSQ-UHFFFAOYSA-N 0 1 287.411 2.549 20 30 CFEDMN N#Cc1ccc(CNCc2cccc3c2CCOC3)o1 ZINC000601156231 350684423 /nfs/dbraw/zinc/68/44/23/350684423.db2.gz URIOTPQUVKFWQX-UHFFFAOYSA-N 0 1 268.316 2.514 20 30 CFEDMN N#CC1(C(=O)Nc2ccc(F)c(F)c2O)CC2(CC2)C1 ZINC000601629342 350749957 /nfs/dbraw/zinc/74/99/57/350749957.db2.gz JCJOLIMYRVOUQX-UHFFFAOYSA-N 0 1 278.258 2.693 20 30 CFEDMN C[C@H](N[C@@H](C)[C@@H](O)C(F)(F)F)c1cccc(C#N)c1 ZINC000601301314 350720247 /nfs/dbraw/zinc/72/02/47/350720247.db2.gz YASNHWAEZZJWAQ-HOTUBEGUSA-N 0 1 272.270 2.521 20 30 CFEDMN C[C@H](Cc1ccc(Cl)cc1)N1CCN(CCC#N)CC1 ZINC000601315173 350721146 /nfs/dbraw/zinc/72/11/46/350721146.db2.gz GHVKOBHNHRKXHF-CQSZACIVSA-N 0 1 291.826 2.802 20 30 CFEDMN Cc1[nH]n(CCc2ccccc2F)c(=O)c1CCC#N ZINC000601947359 350814307 /nfs/dbraw/zinc/81/43/07/350814307.db2.gz RICNTQDKOIFOQW-ZDUSSCGKSA-N 0 1 273.311 2.506 20 30 CFEDMN Cc1[nH]n([C@H](C)COc2ccccc2)c(=O)c1CCC#N ZINC000601947201 350814488 /nfs/dbraw/zinc/81/44/88/350814488.db2.gz SPMPDPRXDSIKMF-IUODEOHRSA-N 0 1 285.347 2.592 20 30 CFEDMN N#Cc1ccc(-n2[nH]c(C3CC3)cc2=O)cc1Cl ZINC000601949401 350816163 /nfs/dbraw/zinc/81/61/63/350816163.db2.gz ONIZUEAIVXBHBJ-UHFFFAOYSA-N 0 1 259.696 2.714 20 30 CFEDMN Cc1[nH]n(-c2cc(F)ccc2C)c(=O)c1CCC#N ZINC000601950077 350816709 /nfs/dbraw/zinc/81/67/09/350816709.db2.gz UBBJCUBQFDPFJI-GFCCVEGCSA-N 0 1 259.284 2.777 20 30 CFEDMN C[C@H]1CCc2c1[nH]n(-c1ccc(C#N)c(Cl)c1)c2=O ZINC000601950489 350816934 /nfs/dbraw/zinc/81/69/34/350816934.db2.gz UWACFTDMKQCMHT-GZMMTYOYSA-N 0 1 273.723 2.960 20 30 CFEDMN N#CC1(C[C@H](O)CN2CC3(CCC3)[C@@H]2c2ccncc2)CC1 ZINC000601960681 350819456 /nfs/dbraw/zinc/81/94/56/350819456.db2.gz SAUWQYMUSZTVFS-HOTGVXAUSA-N 0 1 297.402 2.663 20 30 CFEDMN N#CC1(C[C@@H](O)CN2CC3(CCC3)[C@@H]2c2ccncc2)CC1 ZINC000601960679 350819486 /nfs/dbraw/zinc/81/94/86/350819486.db2.gz SAUWQYMUSZTVFS-CVEARBPZSA-N 0 1 297.402 2.663 20 30 CFEDMN C[C@H](c1ccc(C#N)cc1)N(C)[C@H]1CCCCN(C)C1=O ZINC000601970840 350821730 /nfs/dbraw/zinc/82/17/30/350821730.db2.gz QNJXAAFTPNTFPK-CJNGLKHVSA-N 0 1 285.391 2.562 20 30 CFEDMN N#CCC[C@H](C#N)CNCc1cccc2[nH]ccc21 ZINC000601943104 350811794 /nfs/dbraw/zinc/81/17/94/350811794.db2.gz WPHQCUSSQMOJLL-GFCCVEGCSA-N 0 1 252.321 2.701 20 30 CFEDMN C[C@H](O)CC(C)(C)CNCc1cccc(F)c1C#N ZINC000602011636 350830716 /nfs/dbraw/zinc/83/07/16/350830716.db2.gz OSVMJEBTUGAYSQ-NSHDSACASA-N 0 1 264.344 2.584 20 30 CFEDMN N#Cc1c(F)cccc1CNC[C@@H](CO)CC1CCCC1 ZINC000602015676 350832414 /nfs/dbraw/zinc/83/24/14/350832414.db2.gz GIBFPSMLWKLGKM-AWEZNQCLSA-N 0 1 290.382 2.976 20 30 CFEDMN CC[C@H](C)[C@@H](CNCc1cccc(F)c1C#N)OC ZINC000602024438 350834893 /nfs/dbraw/zinc/83/48/93/350834893.db2.gz MRQCWZBOTWSTNB-XHDPSFHLSA-N 0 1 264.344 2.848 20 30 CFEDMN CCC[C@H](CNCc1cccc(F)c1C#N)OC ZINC000602026456 350834907 /nfs/dbraw/zinc/83/49/07/350834907.db2.gz WISFIGLZGRCUPZ-GFCCVEGCSA-N 0 1 250.317 2.602 20 30 CFEDMN CC[C@@H](C)[C@](C)(O)CNCc1cccc(F)c1C#N ZINC000602005599 350827978 /nfs/dbraw/zinc/82/79/78/350827978.db2.gz JVOKIKOYJMQPID-IAQYHMDHSA-N 0 1 264.344 2.584 20 30 CFEDMN N#Cc1cccc(CN2CCC(C3CCOCC3)CC2)n1 ZINC000602477569 350898947 /nfs/dbraw/zinc/89/89/47/350898947.db2.gz STSBGPQOEUAESN-UHFFFAOYSA-N 0 1 285.391 2.592 20 30 CFEDMN C[C@@H]([C@H]1Cc2ccccc2O1)N(C)Cc1cccc(C#N)n1 ZINC000602486807 350903148 /nfs/dbraw/zinc/90/31/48/350903148.db2.gz PUEQOMSVTBDJFD-SCLBCKFNSA-N 0 1 293.370 2.777 20 30 CFEDMN CCOCc1ccc(CNCc2cccc(C#N)n2)cc1 ZINC000602507708 350908903 /nfs/dbraw/zinc/90/89/03/350908903.db2.gz GYSKOGKLKUKGMD-UHFFFAOYSA-N 0 1 281.359 2.780 20 30 CFEDMN N#Cc1cccc(CN[C@@H]2CCc3cc(F)ccc32)n1 ZINC000602521756 350912937 /nfs/dbraw/zinc/91/29/37/350912937.db2.gz OJSZLEOYFYDIQH-MRXNPFEDSA-N 0 1 267.307 2.869 20 30 CFEDMN COc1ccc(CNCc2cccc(C#N)n2)c(C)c1 ZINC000602571371 350928260 /nfs/dbraw/zinc/92/82/60/350928260.db2.gz LEFJBZLHNOJBEA-UHFFFAOYSA-N 0 1 267.332 2.560 20 30 CFEDMN COc1cc(C)cc(CNCc2cccc(C#N)n2)c1 ZINC000602580384 350932523 /nfs/dbraw/zinc/93/25/23/350932523.db2.gz GAUXWPMVXWVKDP-UHFFFAOYSA-N 0 1 267.332 2.560 20 30 CFEDMN CCN(CCC#N)C[C@@H]1CCN(c2ccccc2)C1 ZINC000602437333 350881439 /nfs/dbraw/zinc/88/14/39/350881439.db2.gz HUWGSBDCSXEWST-HNNXBMFYSA-N 0 1 257.381 2.748 20 30 CFEDMN N#Cc1cccc(CN2CCCN(c3ccccc3)CC2)n1 ZINC000602451250 350888086 /nfs/dbraw/zinc/88/80/86/350888086.db2.gz WNSFUVAZEJUIRB-UHFFFAOYSA-N 0 1 292.386 2.666 20 30 CFEDMN N#Cc1cccc(CN2CCC[C@H]2c2ccc(O)cc2)n1 ZINC000602453740 350889695 /nfs/dbraw/zinc/88/96/95/350889695.db2.gz JJZHBSODVTXJNG-KRWDZBQOSA-N 0 1 279.343 2.996 20 30 CFEDMN C[C@@H](CC#N)N(C)C[C@H]1CCN(c2ccccc2)C1 ZINC000602460697 350890265 /nfs/dbraw/zinc/89/02/65/350890265.db2.gz ASSWAYAPEGNIFA-LSDHHAIUSA-N 0 1 257.381 2.747 20 30 CFEDMN N#Cc1ccc2c(c1)CC[C@H]2NCc1ccns1 ZINC000602641576 350958240 /nfs/dbraw/zinc/95/82/40/350958240.db2.gz SZCLQSRXRZPFIV-CQSZACIVSA-N 0 1 255.346 2.792 20 30 CFEDMN N#Cc1cccc(CN2CCC(c3cccnc3)CC2)n1 ZINC000602657943 350963635 /nfs/dbraw/zinc/96/36/35/350963635.db2.gz UXKVMJOFHTVXKS-UHFFFAOYSA-N 0 1 278.359 2.728 20 30 CFEDMN CCc1nc(C)c(CN[C@H](C)CC2(C#N)CCOCC2)o1 ZINC000602668666 350969030 /nfs/dbraw/zinc/96/90/30/350969030.db2.gz DRUBCELJFXGWDT-GFCCVEGCSA-N 0 1 291.395 2.734 20 30 CFEDMN C[C@@H](NC[C@@H](C)CCC#N)c1ncc(Br)cn1 ZINC000602669388 350969301 /nfs/dbraw/zinc/96/93/01/350969301.db2.gz IINFCHIIYJTYLI-VHSXEESVSA-N 0 1 297.200 2.830 20 30 CFEDMN C[C@H](NCc1cccc(C#N)n1)[C@H]1OCCc2sccc21 ZINC000602672783 350972053 /nfs/dbraw/zinc/97/20/53/350972053.db2.gz ZWUQSIINJNJHNW-MEDUHNTESA-N 0 1 299.399 2.807 20 30 CFEDMN C[C@H](CC1(C#N)CCOCC1)N[C@H]1C[C@H](C)n2ccnc21 ZINC000602681736 350975945 /nfs/dbraw/zinc/97/59/45/350975945.db2.gz LEPHKJUWWROFHO-RDBSUJKOSA-N 0 1 288.395 2.577 20 30 CFEDMN CC(C)[C@H]1N(Cc2cccc(C#N)n2)CC12CCOCC2 ZINC000602691751 350981703 /nfs/dbraw/zinc/98/17/03/350981703.db2.gz SRCSKOZTFKNWPY-MRXNPFEDSA-N 0 1 285.391 2.590 20 30 CFEDMN N#CC[C@]1(O)CCN(Cc2ccc(CC(F)(F)F)cc2)C1 ZINC000602697394 350984927 /nfs/dbraw/zinc/98/49/27/350984927.db2.gz PHHXLRIHMBFBRY-AWEZNQCLSA-N 0 1 298.308 2.642 20 30 CFEDMN N#CC1(CN[C@@H](c2nnc[nH]2)C2CCCCC2)CCC1 ZINC000602700384 350985946 /nfs/dbraw/zinc/98/59/46/350985946.db2.gz WCCICAFVEURLIM-CYBMUJFWSA-N 0 1 273.384 2.710 20 30 CFEDMN N#CC1(CN[C@H](c2nnc[nH]2)C2CCCCC2)CCC1 ZINC000602700393 350986895 /nfs/dbraw/zinc/98/68/95/350986895.db2.gz WCCICAFVEURLIM-ZDUSSCGKSA-N 0 1 273.384 2.710 20 30 CFEDMN CO[C@](C)(CN1Cc2ccc(C#N)cc2C1)C1CC1 ZINC000602712528 350995097 /nfs/dbraw/zinc/99/50/97/350995097.db2.gz UECRVFVLOWGYRH-MRXNPFEDSA-N 0 1 256.349 2.689 20 30 CFEDMN C[C@H](CCC#N)CN1C[C@H](C)O[C@](C)(C(F)F)C1 ZINC000602714628 350995735 /nfs/dbraw/zinc/99/57/35/350995735.db2.gz HVVUVCMWNSGYEZ-MDZLAQPJSA-N 0 1 260.328 2.671 20 30 CFEDMN C[C@H](CCC#N)CN1C[C@H](C)O[C@@H](CC(F)(F)F)C1 ZINC000602717005 350996491 /nfs/dbraw/zinc/99/64/91/350996491.db2.gz KDXJVTSHHPHORT-WOPDTQHZSA-N 0 1 278.318 2.968 20 30 CFEDMN CCO[C@@H]1C[C@H](NCC2(C#N)CCCCC2)[C@]12CCCO2 ZINC000602719498 350998849 /nfs/dbraw/zinc/99/88/49/350998849.db2.gz ZHSKCLFQPPOQDU-ZMSDIMECSA-N 0 1 292.423 2.777 20 30 CFEDMN N#Cc1cccc(CN2CC[C@]3(C2)OCc2ccccc23)n1 ZINC000602618606 350948663 /nfs/dbraw/zinc/94/86/63/350948663.db2.gz JPTISDCQXWJOAU-GOSISDBHSA-N 0 1 291.354 2.585 20 30 CFEDMN CC[C@@H](CO)N(Cc1ccccc1)Cc1cccc(C#N)n1 ZINC000602622351 350949856 /nfs/dbraw/zinc/94/98/56/350949856.db2.gz GZJLNDUTNSGPRR-SFHVURJKSA-N 0 1 295.386 2.726 20 30 CFEDMN CC(C)(C)OC(=O)[C@@H](C1CC1)N1CCC(CC#N)CC1 ZINC000602808588 351033643 /nfs/dbraw/zinc/03/36/43/351033643.db2.gz XXJCDPIPUBFUNF-CQSZACIVSA-N 0 1 278.396 2.732 20 30 CFEDMN CC(C)(C)OC(=O)[C@H](C1CC1)N1CCC(CC#N)CC1 ZINC000602808586 351034151 /nfs/dbraw/zinc/03/41/51/351034151.db2.gz XXJCDPIPUBFUNF-AWEZNQCLSA-N 0 1 278.396 2.732 20 30 CFEDMN CC1(C)CO[C@@H](CN2CCC(C#N)(c3ccccn3)CC2)C1 ZINC000602821809 351037365 /nfs/dbraw/zinc/03/73/65/351037365.db2.gz AETWUKOKJFEOHI-OAHLLOKOSA-N 0 1 299.418 2.754 20 30 CFEDMN CN(CCc1nc(-c2ccccc2)no1)CC1(CC#N)CC1 ZINC000602832816 351039854 /nfs/dbraw/zinc/03/98/54/351039854.db2.gz SFFUOHCPGNAPGG-UHFFFAOYSA-N 0 1 296.374 2.905 20 30 CFEDMN CN(CC1(CC#N)CC1)[C@H](c1nnc[nH]1)c1ccccc1 ZINC000602839370 351041843 /nfs/dbraw/zinc/04/18/43/351041843.db2.gz YPCPKQKSWHRGQE-AWEZNQCLSA-N 0 1 281.363 2.520 20 30 CFEDMN Cc1nocc1CN1CCC(Nc2ccccc2C#N)CC1 ZINC000602901940 351061558 /nfs/dbraw/zinc/06/15/58/351061558.db2.gz RWYGSFIWYCORCE-UHFFFAOYSA-N 0 1 296.374 2.931 20 30 CFEDMN CN1CCN(C(=O)C2(C#N)CCCCC2)C[C@@H]1C(C)(C)C ZINC000603144189 351110483 /nfs/dbraw/zinc/11/04/83/351110483.db2.gz XORVPZTYRYBZFH-CQSZACIVSA-N 0 1 291.439 2.649 20 30 CFEDMN CN(CCC(=O)Nc1cccc(C#N)c1)[C@H]1CCC[C@H]1C#N ZINC000602980359 351081426 /nfs/dbraw/zinc/08/14/26/351081426.db2.gz PGGZOUDKHGZRSC-HOCLYGCPSA-N 0 1 296.374 2.511 20 30 CFEDMN C[C@H](CN(C)[C@@H](C(N)=O)c1ccc(C#N)cc1)C(C)(C)C ZINC000603056466 351096814 /nfs/dbraw/zinc/09/68/14/351096814.db2.gz SGDDNQREMZOGCF-IUODEOHRSA-N 0 1 287.407 2.699 20 30 CFEDMN Cc1[nH]n(-c2cc(C)ccc2C)c(=O)c1CCC#N ZINC000603923432 351192159 /nfs/dbraw/zinc/19/21/59/351192159.db2.gz IXKYGMKEZGTPNS-ZDUSSCGKSA-N 0 1 255.321 2.946 20 30 CFEDMN CC#CCN1CCC[N@H+](Cc2ccc(Cl)cc2)CC1 ZINC000607724089 351356341 /nfs/dbraw/zinc/35/63/41/351356341.db2.gz ZXVDCJORRSHJKZ-UHFFFAOYSA-N 0 1 276.811 2.871 20 30 CFEDMN CCN1CCCC[C@H]1CNc1ncc(C#N)cc1Cl ZINC000609631229 351512948 /nfs/dbraw/zinc/51/29/48/351512948.db2.gz QZNUOSJCMMCGRZ-LBPRGKRZSA-N 0 1 278.787 2.893 20 30 CFEDMN CCCCCN1CCN(c2oc(C3CC3)nc2C#N)CC1 ZINC000609798340 351520683 /nfs/dbraw/zinc/52/06/83/351520683.db2.gz UVTVJQKTEGYGSL-UHFFFAOYSA-N 0 1 288.395 2.736 20 30 CFEDMN CCN(Cc1cc(F)ccc1C#N)C[C@@H]1CCOC1 ZINC000610728810 351598634 /nfs/dbraw/zinc/59/86/34/351598634.db2.gz PMQCRORGOWGWDS-LBPRGKRZSA-N 0 1 262.328 2.556 20 30 CFEDMN CCC(CC)NC(=O)[C@H](C)N[C@H](C)c1cccc(C#N)c1 ZINC000610345843 351556917 /nfs/dbraw/zinc/55/69/17/351556917.db2.gz ACOZDFPIQKVUIV-OLZOCXBDSA-N 0 1 287.407 2.902 20 30 CFEDMN N#Cc1cc(CN2CCC[C@@H](Oc3ccccc3)C2)ccn1 ZINC000610993221 351630255 /nfs/dbraw/zinc/63/02/55/351630255.db2.gz IOBNBJOQGLOAMP-GOSISDBHSA-N 0 1 293.370 2.997 20 30 CFEDMN CC(C)CCOC1CCN(Cc2ccnc(C#N)c2)CC1 ZINC000610992015 351630323 /nfs/dbraw/zinc/63/03/23/351630323.db2.gz PCRXTCGNPQMMQK-UHFFFAOYSA-N 0 1 287.407 2.980 20 30 CFEDMN C[C@H](NCC(=O)N1C[C@H](C)C[C@H](C)C1)c1cccc(C#N)c1 ZINC000611386255 351678491 /nfs/dbraw/zinc/67/84/91/351678491.db2.gz HCOHWOPBBRWYJK-ZNMIVQPWSA-N 0 1 299.418 2.713 20 30 CFEDMN CC#CCN[C@H](c1ccccc1)C(C)(C)C(=O)OC ZINC000611406907 351684118 /nfs/dbraw/zinc/68/41/18/351684118.db2.gz ZVZZCAHPHGJZRI-CQSZACIVSA-N 0 1 259.349 2.540 20 30 CFEDMN COc1ccc(C2(NCC3(C#N)CC3)CCOCC2)cc1 ZINC000611430804 351689261 /nfs/dbraw/zinc/68/92/61/351689261.db2.gz PSFUUWIXDUVXPC-UHFFFAOYSA-N 0 1 286.375 2.594 20 30 CFEDMN COc1ccc(CN[C@@H](C)c2cccc(C#N)c2)nc1 ZINC000611433301 351689299 /nfs/dbraw/zinc/68/92/99/351689299.db2.gz YFULCDRXQCUCQH-LBPRGKRZSA-N 0 1 267.332 2.813 20 30 CFEDMN CCOc1ccc(CN2CCC(CC#N)CC2)nc1 ZINC000611623122 351717133 /nfs/dbraw/zinc/71/71/33/351717133.db2.gz DCLNBEAGUVLDHQ-UHFFFAOYSA-N 0 1 259.353 2.606 20 30 CFEDMN CCc1cc(C(=O)N(Cc2ccc(C#N)cc2)C(C)C)n[nH]1 ZINC000122162886 187018458 /nfs/dbraw/zinc/01/84/58/187018458.db2.gz OPLKCRCJYJTJIV-UHFFFAOYSA-N 0 1 296.374 2.895 20 30 CFEDMN CN(CCOCC1CC1)Cc1ccc(F)c(C#N)c1 ZINC000122175946 187019505 /nfs/dbraw/zinc/01/95/05/187019505.db2.gz SIZMGXRPARCXPW-UHFFFAOYSA-N 0 1 262.328 2.556 20 30 CFEDMN C=CCCCS(=O)(=O)Nc1cc(-c2cccs2)[nH]n1 ZINC000291916819 198104544 /nfs/dbraw/zinc/10/45/44/198104544.db2.gz UCERURMNTLGMFZ-UHFFFAOYSA-N 0 1 297.405 2.846 20 30 CFEDMN C[C@@H]1[C@H](C)N(C)CCN1c1nc(C(C)(C)C)ccc1C#N ZINC000613430981 351958099 /nfs/dbraw/zinc/95/80/99/351958099.db2.gz JOMSPOMNSVTALJ-QWHCGFSZSA-N 0 1 286.423 2.780 20 30 CFEDMN Cc1cc(C#N)ccc1CN[C@@H](CO)c1cccc(F)c1 ZINC000614407165 352090702 /nfs/dbraw/zinc/09/07/02/352090702.db2.gz GVZSJGOAXUGLMJ-KRWDZBQOSA-N 0 1 284.334 2.829 20 30 CFEDMN C#CCOc1ccc([C@H](C)N[C@H](C)c2n[nH]c(CC)n2)cc1 ZINC000271491270 191171502 /nfs/dbraw/zinc/17/15/02/191171502.db2.gz LAQICOXJCAAJBZ-QWHCGFSZSA-N 0 1 298.390 2.791 20 30 CFEDMN C=CC[C@H]1CCCC[C@@H]1NC(=O)CCCCc1cn[nH]n1 ZINC000617042598 352478075 /nfs/dbraw/zinc/47/80/75/352478075.db2.gz TVNDONDJBNMHKI-ZFWWWQNUSA-N 0 1 290.411 2.769 20 30 CFEDMN C=CC[C@H]1CCCC[C@@H]1NC(=O)CCc1cnc[nH]1 ZINC000617042898 352478451 /nfs/dbraw/zinc/47/84/51/352478451.db2.gz WYFWQVRWAJMRQO-JSGCOSHPSA-N 0 1 261.369 2.593 20 30 CFEDMN C=CCN(Cc1cc(OC)c2c(c1)OCCO2)C1CC1 ZINC000273495721 192175890 /nfs/dbraw/zinc/17/58/90/192175890.db2.gz ODXCZPIPGKJICK-UHFFFAOYSA-N 0 1 275.348 2.617 20 30 CFEDMN C=CC[C@H]1CCCN(C(=O)c2cccc3[nH]cnc32)C1 ZINC000617782348 352644992 /nfs/dbraw/zinc/64/49/92/352644992.db2.gz DEWFGIXDVPGGNG-LBPRGKRZSA-N 0 1 269.348 2.991 20 30 CFEDMN C=CC[C@@H]1CCCN(C(=O)c2c[nH]c3ccccc3c2=O)C1 ZINC000617787308 352646993 /nfs/dbraw/zinc/64/69/93/352646993.db2.gz LQFSUNRDXVGSIQ-CYBMUJFWSA-N 0 1 296.370 2.956 20 30 CFEDMN C=CC[C@@H]1CCCN(C(=O)c2cccc3n[nH]cc32)C1 ZINC000617787318 352647375 /nfs/dbraw/zinc/64/73/75/352647375.db2.gz LVEUZAQNFITUEQ-GFCCVEGCSA-N 0 1 269.348 2.991 20 30 CFEDMN C[C@@H](C(=O)NC1(C#N)CCCCC1)N(C)Cc1ccccc1 ZINC000196625412 539908092 /nfs/dbraw/zinc/90/80/92/539908092.db2.gz ZTBLOEPOSYFCNT-HNNXBMFYSA-N 0 1 299.418 2.850 20 30 CFEDMN CCCN(CCC)C(=O)CN[C@@H](C)c1ccc(C#N)cc1 ZINC000271638366 191254165 /nfs/dbraw/zinc/25/41/65/191254165.db2.gz GPEMOVNRLFLIIQ-AWEZNQCLSA-N 0 1 287.407 2.857 20 30 CFEDMN N#Cc1ccc2c(c1)CC[C@H]2NCc1cn2ccccc2n1 ZINC000618741150 352876012 /nfs/dbraw/zinc/87/60/12/352876012.db2.gz AOXJGXHZAWBVMG-QGZVFWFLSA-N 0 1 288.354 2.983 20 30 CFEDMN CCN1CCCC[C@@H]1C(=O)N[C@@H]1CCc2cc(C#N)ccc21 ZINC000618893270 352906984 /nfs/dbraw/zinc/90/69/84/352906984.db2.gz FSGYAAJEKJKHPJ-IAGOWNOFSA-N 0 1 297.402 2.536 20 30 CFEDMN Cc1c(CN(C)Cc2ccc(C#N)cc2C)cnn1C ZINC000619184107 352973837 /nfs/dbraw/zinc/97/38/37/352973837.db2.gz AGNUSIVGYIWVSX-UHFFFAOYSA-N 0 1 268.364 2.541 20 30 CFEDMN CC[N@H+]1CCN(C(=O)c2ccc(C(C)(C)C#N)cc2)C[C@@H]1C ZINC000619441045 353024186 /nfs/dbraw/zinc/02/41/86/353024186.db2.gz IPYOMTSWFDFUME-AWEZNQCLSA-N 0 1 299.418 2.654 20 30 CFEDMN CCN1CCN(C(=O)c2ccc(C(C)(C)C#N)cc2)C[C@@H]1C ZINC000619441045 353024187 /nfs/dbraw/zinc/02/41/87/353024187.db2.gz IPYOMTSWFDFUME-AWEZNQCLSA-N 0 1 299.418 2.654 20 30 CFEDMN Cc1nc2cccc(C(=O)N[C@@H](C#N)CC(C)C)c2[nH]1 ZINC000619806212 353067300 /nfs/dbraw/zinc/06/73/00/353067300.db2.gz AROAMMAAIFZUOW-LLVKDONJSA-N 0 1 270.336 2.539 20 30 CFEDMN Cc1cc(C#N)ccc1CN1CC[C@H](OC(F)F)C1 ZINC000619815308 353067434 /nfs/dbraw/zinc/06/74/34/353067434.db2.gz DJCLADKPTVUGLU-ZDUSSCGKSA-N 0 1 266.291 2.680 20 30 CFEDMN CC(C)OC[C@H](C)NCc1ccc(C#N)cc1F ZINC000619715262 353056467 /nfs/dbraw/zinc/05/64/67/353056467.db2.gz JVJZFLOSJGNWHQ-NSHDSACASA-N 0 1 250.317 2.600 20 30 CFEDMN COc1cc(C#N)ccc1CN(C)CCc1ccccn1 ZINC000153017752 188059902 /nfs/dbraw/zinc/05/99/02/188059902.db2.gz TXRNBFQSCPZHPB-UHFFFAOYSA-N 0 1 281.359 2.636 20 30 CFEDMN C=C1C[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1CCCc2[nH]ncc21 ZINC000620306968 353149798 /nfs/dbraw/zinc/14/97/98/353149798.db2.gz UPWOPAZCZZMSGZ-XQQFMLRXSA-N 0 1 271.364 2.539 20 30 CFEDMN C=C(C)CN(CC)[C@@H](C)C(=O)Nc1cccnc1Cl ZINC000155135972 188185915 /nfs/dbraw/zinc/18/59/15/188185915.db2.gz MGJNLRQLELAWIO-NSHDSACASA-N 0 1 281.787 2.960 20 30 CFEDMN C=CCCC(C)(C)NC(=O)c1ccc2cncn2c1 ZINC000620856800 353241386 /nfs/dbraw/zinc/24/13/86/353241386.db2.gz ALYXGMSMSMVAGH-UHFFFAOYSA-N 0 1 257.337 2.809 20 30 CFEDMN C=C[C@H](CC(=O)N1CCN(CC2CC2)CC1)c1ccccc1 ZINC000156122498 188244133 /nfs/dbraw/zinc/24/41/33/188244133.db2.gz PVWZUVSCMZFDQI-QGZVFWFLSA-N 0 1 298.430 2.901 20 30 CFEDMN CN(CC#Cc1cccc(Cl)c1)C[C@@H]1CCCO1 ZINC000156230295 188250953 /nfs/dbraw/zinc/25/09/53/188250953.db2.gz YRVABIOWUFPCEA-HNNXBMFYSA-N 0 1 263.768 2.802 20 30 CFEDMN C[C@H]1CCN(CC#Cc2cccc(Cl)c2)C[C@@H]1CO ZINC000621370179 353340072 /nfs/dbraw/zinc/34/00/72/353340072.db2.gz DDMRRJSYGYBSQW-DZGCQCFKSA-N 0 1 277.795 2.642 20 30 CFEDMN C[C@@H](NCC(=O)NCCC(C)(C)C)c1ccc(C#N)cc1 ZINC000271689683 191277733 /nfs/dbraw/zinc/27/77/33/191277733.db2.gz RGLQKHFNVWSACK-CYBMUJFWSA-N 0 1 287.407 2.761 20 30 CFEDMN N#Cc1cccc(OCCN2CCOC3(CCCC3)C2)c1 ZINC000158438942 188376150 /nfs/dbraw/zinc/37/61/50/188376150.db2.gz JDEGVUWHFNUBLH-UHFFFAOYSA-N 0 1 286.375 2.582 20 30 CFEDMN C=CC[C@@H]1CCN(C(=O)NCc2nc3cccc(C)c3[nH]2)C1 ZINC000623828199 353733303 /nfs/dbraw/zinc/73/33/03/353733303.db2.gz NECDQUGTEPAWPZ-CYBMUJFWSA-N 0 1 298.390 2.979 20 30 CFEDMN C[C@@H](NCC(=O)N1C[C@H](C)C[C@@H](C)C1)c1ccc(C#N)cc1 ZINC000271709192 191285796 /nfs/dbraw/zinc/28/57/96/191285796.db2.gz VOVPBIOEGXFLQD-RBSFLKMASA-N 0 1 299.418 2.713 20 30 CFEDMN C=C[C@@H]1OCCC[C@H]1N[C@H]1CCCc2scnc21 ZINC000623995025 353778719 /nfs/dbraw/zinc/77/87/19/353778719.db2.gz KVUWLBKFBBLXNY-WOPDTQHZSA-N 0 1 264.394 2.844 20 30 CFEDMN C=CC[C@H]1CC[N@H+](CC(=O)N2CCCC[C@H]2CC)C1 ZINC000625699510 354087788 /nfs/dbraw/zinc/08/77/88/354087788.db2.gz FQCKSZIFEUVITF-LSDHHAIUSA-N 0 1 264.413 2.676 20 30 CFEDMN C=CC[C@@H]1CC[N@H+](CC(=O)N([C@H](C)C2CC2)C2CC2)C1 ZINC000625699923 354088148 /nfs/dbraw/zinc/08/81/48/354088148.db2.gz DZYLJVCHHMCIAZ-ZIAGYGMSSA-N 0 1 276.424 2.674 20 30 CFEDMN C=CC[C@@H]1CCN(CC(=O)N(CC(F)(F)F)C(C)C)C1 ZINC000625701894 354088967 /nfs/dbraw/zinc/08/89/67/354088967.db2.gz UJJGMMXZIKRWRV-GFCCVEGCSA-N 0 1 292.345 2.684 20 30 CFEDMN C=CC[C@H]1CCN(CC(=O)Nc2ccc(C)cc2F)C1 ZINC000625702721 354089941 /nfs/dbraw/zinc/08/99/41/354089941.db2.gz IJOIWNDQPRNMKS-ZDUSSCGKSA-N 0 1 276.355 2.971 20 30 CFEDMN C=CC[C@H]1CCN(CC(=O)Nc2cc(F)cc(F)c2)C1 ZINC000625703930 354091319 /nfs/dbraw/zinc/09/13/19/354091319.db2.gz PUICUFJKSXLJOX-NSHDSACASA-N 0 1 280.318 2.801 20 30 CFEDMN C=CC[C@@H]1CCN(Cc2nnc(-c3ccccc3)n2C)C1 ZINC000625705376 354092277 /nfs/dbraw/zinc/09/22/77/354092277.db2.gz UYSUBMQHGPZZNC-CQSZACIVSA-N 0 1 282.391 2.880 20 30 CFEDMN C=CCNC(=O)[C@@H](C)N(CCC)Cc1ccc(OC)cc1 ZINC000625964027 354154430 /nfs/dbraw/zinc/15/44/30/354154430.db2.gz SXTZLQXCRLCKJB-CQSZACIVSA-N 0 1 290.407 2.598 20 30 CFEDMN FCCCN1CCN(CC#Cc2cccc(Cl)c2)CC1 ZINC000626069962 354186689 /nfs/dbraw/zinc/18/66/89/354186689.db2.gz SRRYHWXVZYXPFI-UHFFFAOYSA-N 0 1 294.801 2.669 20 30 CFEDMN C=CC[C@@H]1CCN(C(=O)c2[nH]nc3ccccc32)C1 ZINC000628482114 354602104 /nfs/dbraw/zinc/60/21/04/354602104.db2.gz FFQKELJRFCZBNN-LLVKDONJSA-N 0 1 255.321 2.601 20 30 CFEDMN C=CC[C@H]1CCN(C(=O)c2[nH]nc3ccccc32)C1 ZINC000628482115 354602167 /nfs/dbraw/zinc/60/21/67/354602167.db2.gz FFQKELJRFCZBNN-NSHDSACASA-N 0 1 255.321 2.601 20 30 CFEDMN C=CCOc1cccc(C[N@H+]2CC[C@@H](C(=O)[O-])[C@@H](C)C2)c1 ZINC000629772555 354928190 /nfs/dbraw/zinc/92/81/90/354928190.db2.gz RXQBMOGOPNMFJY-XJKSGUPXSA-N 0 1 289.375 2.794 20 30 CFEDMN C=C1CCN(C[C@H](O)COc2ccc(SC)cc2)CC1 ZINC000411267269 540054074 /nfs/dbraw/zinc/05/40/74/540054074.db2.gz BQYZBCGWWXAJLR-AWEZNQCLSA-N 0 1 293.432 2.800 20 30 CFEDMN C=CC[C@H](CO)NCc1nc(-c2ccccc2)cs1 ZINC000273507258 192180130 /nfs/dbraw/zinc/18/01/30/192180130.db2.gz QFROLBSKZITBKP-CYBMUJFWSA-N 0 1 274.389 2.837 20 30 CFEDMN N#Cc1cc(F)ccc1CN1CCC[C@@H]1[C@H]1CCC[C@H]1O ZINC000451425985 283098248 /nfs/dbraw/zinc/09/82/48/283098248.db2.gz UTCUREIYXHZRQO-BRWVUGGUSA-N 0 1 288.366 2.823 20 30 CFEDMN C=C1CC(C)(C(=O)Nc2cc(C(C)=O)ccc2O)C1 ZINC000632314831 355688072 /nfs/dbraw/zinc/68/80/72/355688072.db2.gz CBXRZPHGZQDZJG-UHFFFAOYSA-N 0 1 259.305 2.890 20 30 CFEDMN OCCCC1CCN(CC#Cc2ccc(F)cc2)CC1 ZINC000272970561 192002750 /nfs/dbraw/zinc/00/27/50/192002750.db2.gz OWQDLSDFLBLNML-UHFFFAOYSA-N 0 1 275.367 2.662 20 30 CFEDMN N#Cc1ccc(CN2CCc3ccccc3[C@H]2CO)cc1 ZINC000268181557 283143186 /nfs/dbraw/zinc/14/31/86/283143186.db2.gz WGGFGNGKQAXXBK-GOSISDBHSA-N 0 1 278.355 2.650 20 30 CFEDMN N#Cc1ccc(CN2CCOC[C@H]2C2CCC2)cc1 ZINC000335448430 283141674 /nfs/dbraw/zinc/14/16/74/283141674.db2.gz XNJSCWLHDZRFDN-INIZCTEOSA-N 0 1 256.349 2.559 20 30 CFEDMN C=CCCN1CCN(C(=O)c2ccc(Cl)cc2)CC1 ZINC000132457611 260499721 /nfs/dbraw/zinc/49/97/21/260499721.db2.gz DOUWIPAUGUWJTG-UHFFFAOYSA-N 0 1 278.783 2.674 20 30 CFEDMN N#Cc1ccnc(N2CCN(C3CCCC3)CC2)c1Cl ZINC000236029197 283222363 /nfs/dbraw/zinc/22/23/63/283222363.db2.gz GBWUBFAJHMTICS-UHFFFAOYSA-N 0 1 290.798 2.671 20 30 CFEDMN N#Cc1csc(CN[C@@H]2CCCC[C@H]2OC(F)F)n1 ZINC000352864215 283247570 /nfs/dbraw/zinc/24/75/70/283247570.db2.gz ZDXLNKJZIBZOKC-NXEZZACHSA-N 0 1 287.335 2.655 20 30 CFEDMN CS[C@@H]1CCN(Cc2ccc(C#N)cc2F)C1 ZINC000294381041 199018296 /nfs/dbraw/zinc/01/82/96/199018296.db2.gz IMQLXIZWFAYBKI-GFCCVEGCSA-N 0 1 250.342 2.635 20 30 CFEDMN CS[C@H]1CCN(Cc2ccc(C#N)cc2F)C1 ZINC000294381042 199018456 /nfs/dbraw/zinc/01/84/56/199018456.db2.gz IMQLXIZWFAYBKI-LBPRGKRZSA-N 0 1 250.342 2.635 20 30 CFEDMN C#CCN1CCC(C(=O)O[C@H](C)c2ccc(C#N)cc2)CC1 ZINC000175801640 188967446 /nfs/dbraw/zinc/96/74/46/188967446.db2.gz HWZFSVVZKDGJJI-CQSZACIVSA-N 0 1 296.370 2.508 20 30 CFEDMN C=CC(C)(C)C(=O)NC[C@H](c1ccco1)N(CC)CC ZINC000294606353 199105050 /nfs/dbraw/zinc/10/50/50/199105050.db2.gz DFTZCWOTRFISAZ-CYBMUJFWSA-N 0 1 278.396 2.991 20 30 CFEDMN C#CCO[C@@H](C)C(=O)Nc1ccc2nc(C3CCC3)[nH]c2c1 ZINC000294593840 199099495 /nfs/dbraw/zinc/09/94/95/199099495.db2.gz PPFSJVVXDBDZQH-NSHDSACASA-N 0 1 297.358 2.807 20 30 CFEDMN C=CC[C@@H](CO)NCc1c(F)cccc1OC(F)(F)F ZINC000671191420 540378454 /nfs/dbraw/zinc/37/84/54/540378454.db2.gz AKIIDIRFAGCCLN-VIFPVBQESA-N 0 1 293.260 2.751 20 30 CFEDMN CCCN(Cc1ccc(C#N)cc1)Cc1ccnc(OC)n1 ZINC000294923207 199250513 /nfs/dbraw/zinc/25/05/13/199250513.db2.gz UBUNCHJVNLOWEH-UHFFFAOYSA-N 0 1 296.374 2.769 20 30 CFEDMN CN(Cc1ccc(C#N)s1)[C@@H](CO)c1ccccc1 ZINC000294943599 199263016 /nfs/dbraw/zinc/26/30/16/199263016.db2.gz CKQGYGKFRSKWNQ-HNNXBMFYSA-N 0 1 272.373 2.785 20 30 CFEDMN C=CCC[C@@H](C(=O)NOC(C)(C)CO)c1ccccc1 ZINC000297159452 200101487 /nfs/dbraw/zinc/10/14/87/200101487.db2.gz JPWLRNYEJOKBIX-CQSZACIVSA-N 0 1 277.364 2.555 20 30 CFEDMN C=CC(C)(C)C(=O)N1CCC[C@@H](c2n[nH]c(C3CC3)n2)C1 ZINC000297080556 200080372 /nfs/dbraw/zinc/08/03/72/200080372.db2.gz JUJTUKWMNDXRQH-GFCCVEGCSA-N 0 1 288.395 2.600 20 30 CFEDMN COC(=O)[C@@]1(C)CCN(CC#Cc2ccc(Cl)cc2)C1 ZINC000177431862 189050800 /nfs/dbraw/zinc/05/08/00/189050800.db2.gz WXUZRZGBECAKSD-INIZCTEOSA-N 0 1 291.778 2.577 20 30 CFEDMN C=CCN(CCC(=O)N(C)CC)Cc1ccccc1F ZINC000178192553 189096391 /nfs/dbraw/zinc/09/63/91/189096391.db2.gz RYSZZNITZTWDHK-UHFFFAOYSA-N 0 1 278.371 2.682 20 30 CFEDMN C=CCN1C(=O)N=NC1S[C@@H]1CCc2ccccc21 ZINC000683738696 540777670 /nfs/dbraw/zinc/77/76/70/540777670.db2.gz GUHRXEGHABORAI-GFCCVEGCSA-N 0 1 273.361 2.949 20 30 CFEDMN C=C(C)Cn1c(C(C)C)nnc1N1CCN(CC)[C@@H](C)C1 ZINC000670207554 540790996 /nfs/dbraw/zinc/79/09/96/540790996.db2.gz HGSQUPVWADTCFE-AWEZNQCLSA-N 0 1 291.443 2.508 20 30 CFEDMN C=CCNC(=O)[C@H](C)N[C@@H](C)c1cccc(OC(F)F)c1 ZINC000179593398 189205483 /nfs/dbraw/zinc/20/54/83/189205483.db2.gz SQISIMJDFRPQBH-QWRGUYRKSA-N 0 1 298.333 2.629 20 30 CFEDMN C=CCNC(=O)CN[C@H](C)c1sc(C(C)(C)C)nc1C ZINC000180028503 189233277 /nfs/dbraw/zinc/23/32/77/189233277.db2.gz WYRNEASGHUUTPG-SNVBAGLBSA-N 0 1 295.452 2.702 20 30 CFEDMN N#Cc1cccc(OCCN(Cc2ccccn2)C2CC2)c1 ZINC000180858291 189280291 /nfs/dbraw/zinc/28/02/91/189280291.db2.gz STOXSHCVZREKRJ-UHFFFAOYSA-N 0 1 293.370 2.997 20 30 CFEDMN COC(=O)c1ccc(C#N)cc1-c1ccc(F)c(O)c1 ZINC001243047480 781951777 /nfs/dbraw/zinc/95/17/77/781951777.db2.gz SYOFPRZAZWHUDA-UHFFFAOYSA-N 0 1 271.247 2.857 20 30 CFEDMN N#Cc1ccccc1CN1CCC([C@H]2CCCO2)CC1 ZINC000189230759 189526486 /nfs/dbraw/zinc/52/64/86/189526486.db2.gz INWAGZDZRFOMAB-QGZVFWFLSA-N 0 1 270.376 2.949 20 30 CFEDMN Cc1cc(CNCC(=O)Nc2cccc(F)c2)ccc1C#N ZINC000443981058 241100173 /nfs/dbraw/zinc/10/01/73/241100173.db2.gz RHQBSBTUZRAVRI-UHFFFAOYSA-N 0 1 297.333 2.734 20 30 CFEDMN Cc1cc(CN[C@@H](C)C(=O)Nc2ccccc2)ccc1C#N ZINC000443991440 241103393 /nfs/dbraw/zinc/10/33/93/241103393.db2.gz UMHVMOPBOODZRJ-AWEZNQCLSA-N 0 1 293.370 2.984 20 30 CFEDMN Cc1ccc(N(C)Cc2cc(C(C)(C)C)[nH]n2)nc1C#N ZINC000444872877 241197982 /nfs/dbraw/zinc/19/79/82/241197982.db2.gz JIXPWIOLTSNEES-UHFFFAOYSA-N 0 1 283.379 2.919 20 30 CFEDMN N#Cc1cccc(CN2CCCC[C@H]2CC(N)=O)c1F ZINC000330641039 203070000 /nfs/dbraw/zinc/07/00/00/203070000.db2.gz ILUBLNASAIIMOV-ZDUSSCGKSA-N 0 1 275.327 2.977 20 30 CFEDMN Cc1cc(C#N)cc(NC(=O)CN2[C@@H](C)CC[C@@H]2C)c1 ZINC000456969258 244340460 /nfs/dbraw/zinc/34/04/60/244340460.db2.gz QJCQNBHPPXVZNR-STQMWFEESA-N 0 1 271.364 2.678 20 30 CFEDMN C=CCCN(C)C(=O)NC[C@@H](c1ccco1)N1CCCC1 ZINC000276238862 193254377 /nfs/dbraw/zinc/25/43/77/193254377.db2.gz BUXZJMSLGQFVOM-AWEZNQCLSA-N 0 1 291.395 2.634 20 30 CFEDMN C=CCCN(C)[C@H](C)c1nc(-c2cccnc2)no1 ZINC000276374198 193305279 /nfs/dbraw/zinc/30/52/79/193305279.db2.gz HFHHIPADUXDSKM-LLVKDONJSA-N 0 1 258.325 2.701 20 30 CFEDMN C=CCCN(C)[C@H](C)c1nc2ccccc2c(=O)[nH]1 ZINC000276506956 193360720 /nfs/dbraw/zinc/36/07/20/193360720.db2.gz XAKQNABIUMTIHG-LLVKDONJSA-N 0 1 257.337 2.904 20 30 CFEDMN C=CCCN(C)[C@@H](C)C(=O)c1c[nH]c2ncccc12 ZINC000276476545 193348300 /nfs/dbraw/zinc/34/83/00/193348300.db2.gz SIPKREAPYUMYAD-NSHDSACASA-N 0 1 257.337 2.642 20 30 CFEDMN C=CCCN(C)[C@H](C)C(=O)Nc1nc(C)c(C)s1 ZINC000276492801 193354437 /nfs/dbraw/zinc/35/44/37/193354437.db2.gz VBYZBXNKTKNQNA-SNVBAGLBSA-N 0 1 267.398 2.595 20 30 CFEDMN C=C(C)[C@H](CO)Sc1nc(-c2ccccc2F)n[nH]1 ZINC000677131664 541825618 /nfs/dbraw/zinc/82/56/18/541825618.db2.gz RBOXYBBUXUIXOB-NSHDSACASA-N 0 1 279.340 2.640 20 30 CFEDMN C=C(C)[C@@H](CO)Sc1n[nH]c(CCC2CCCC2)n1 ZINC000677131709 541825753 /nfs/dbraw/zinc/82/57/53/541825753.db2.gz RJFWOXAQJLSZCC-GFCCVEGCSA-N 0 1 281.425 2.957 20 30 CFEDMN C=C(C)[C@@H](CO)Sc1nc(CCC2CCCC2)n[nH]1 ZINC000677131709 541825756 /nfs/dbraw/zinc/82/57/56/541825756.db2.gz RJFWOXAQJLSZCC-GFCCVEGCSA-N 0 1 281.425 2.957 20 30 CFEDMN CO[C@H]1C[C@H](NCc2ccc(F)cc2C#N)C12CCC2 ZINC000459760891 245309914 /nfs/dbraw/zinc/30/99/14/245309914.db2.gz MUXKIUYTCTVVTN-GJZGRUSLSA-N 0 1 274.339 2.745 20 30 CFEDMN C[C@H](NCC(=O)Nc1ccc(C#N)cc1)c1ccccc1 ZINC000003566771 371809299 /nfs/dbraw/zinc/80/92/99/371809299.db2.gz RZRYYENFYPXPLJ-ZDUSSCGKSA-N 0 1 279.343 2.848 20 30 CFEDMN C=CCNC(=O)CN[C@H](c1ccccc1)c1ccc(C)cc1 ZINC000025409489 372299212 /nfs/dbraw/zinc/29/92/12/372299212.db2.gz GGQBWEYEUGPUDV-LJQANCHMSA-N 0 1 294.398 2.976 20 30 CFEDMN O=C(N[C@H]1CCCC[C@H]1CO)c1cc2[nH]cnc2cc1F ZINC000329221791 227360259 /nfs/dbraw/zinc/36/02/59/227360259.db2.gz VHDVHYJMPQCHQX-CABZTGNLSA-N 0 1 291.326 2.558 20 30 CFEDMN CCC(C#N)(CC)C(=O)N1CCC(c2cc(C)[nH]n2)CC1 ZINC000528958560 383684367 /nfs/dbraw/zinc/68/43/67/383684367.db2.gz LNYJFIFDSSCCHM-UHFFFAOYSA-N 0 1 288.395 2.754 20 30 CFEDMN C=CCCCCC[N@@H+]1C[C@@H](CO)[C@H](C(F)(F)F)C1 ZINC000640043494 383686208 /nfs/dbraw/zinc/68/62/08/383686208.db2.gz GXPMHNLXLLECPB-NWDGAFQWSA-N 0 1 265.319 2.835 20 30 CFEDMN CCC(C)(C)NC(=O)CN[C@@H](C)c1ccc(C#N)cc1 ZINC000049281768 373283909 /nfs/dbraw/zinc/28/39/09/373283909.db2.gz CBRVJYKMOYYWRL-LBPRGKRZSA-N 0 1 273.380 2.514 20 30 CFEDMN CN(CCOc1ccc(C#N)cc1)CCC(F)(F)F ZINC000064635283 373831846 /nfs/dbraw/zinc/83/18/46/373831846.db2.gz PZPSQCMLRLPVLB-UHFFFAOYSA-N 0 1 272.270 2.821 20 30 CFEDMN CN(C(=O)C(C)(C)C#N)[C@@H]1CCCN(Cc2ccccc2)C1 ZINC000074808335 374440108 /nfs/dbraw/zinc/44/01/08/374440108.db2.gz FUSWGSFFEDBITN-MRXNPFEDSA-N 0 1 299.418 2.659 20 30 CFEDMN COc1ccc(CNCc2ccc(C)nc2)cc1C#N ZINC000087824244 374830921 /nfs/dbraw/zinc/83/09/21/374830921.db2.gz ZKRPCRMFNSIMSJ-UHFFFAOYSA-N 0 1 267.332 2.560 20 30 CFEDMN C=CCN(CC1CCC(C)(C)CC1)[C@H]1CCS(=O)(=O)C1 ZINC000092361324 375103672 /nfs/dbraw/zinc/10/36/72/375103672.db2.gz MJOGEMUJVDLZPM-HNNXBMFYSA-N 0 1 299.480 2.878 20 30 CFEDMN Cc1c(C(=O)[C@H](C#N)c2ccccn2)cnn1C(C)C ZINC000092694773 375140232 /nfs/dbraw/zinc/14/02/32/375140232.db2.gz DSRUFQXPXSSWQH-GFCCVEGCSA-N 0 1 268.320 2.658 20 30 CFEDMN C=CCOc1ccc(CN2CC[C@@H](CO)C2)cc1Cl ZINC000092763148 375150314 /nfs/dbraw/zinc/15/03/14/375150314.db2.gz VHDGBGAZALKFPL-CYBMUJFWSA-N 0 1 281.783 2.719 20 30 CFEDMN CSC[C@H]1CCCN1Cc1cnc2ccc(C#N)cn12 ZINC000093760978 375308239 /nfs/dbraw/zinc/30/82/39/375308239.db2.gz USYQLGNEXSLKJZ-CYBMUJFWSA-N 0 1 286.404 2.533 20 30 CFEDMN C#CCN1CCC[C@@H](c2nc(-c3cccc(F)c3)no2)C1 ZINC000102401573 375672753 /nfs/dbraw/zinc/67/27/53/375672753.db2.gz ZSRQHZFUKXCHBP-CYBMUJFWSA-N 0 1 285.322 2.688 20 30 CFEDMN C=C(C)CN(CC)[C@@H](C)C(=O)NCCc1cccs1 ZINC000102669959 375686187 /nfs/dbraw/zinc/68/61/87/375686187.db2.gz DREFHXDJRSEODT-ZDUSSCGKSA-N 0 1 280.437 2.693 20 30 CFEDMN C[C@@H](CC#N)N(C)C(=O)c1cc(-c2cccs2)[nH]n1 ZINC000103441907 375745850 /nfs/dbraw/zinc/74/58/50/375745850.db2.gz HSBDXDIXCWDFEZ-VIFPVBQESA-N 0 1 274.349 2.512 20 30 CFEDMN CC(C)(C)CN(CCC#N)C[C@@H](O)Cc1ccccc1 ZINC000111250486 375836317 /nfs/dbraw/zinc/83/63/17/375836317.db2.gz IDBHGFGUNGBPCL-INIZCTEOSA-N 0 1 274.408 2.852 20 30 CFEDMN CCCO[C@H]1CCCN(C[C@H](C#N)CCC#N)CC1 ZINC000112560483 375932572 /nfs/dbraw/zinc/93/25/72/375932572.db2.gz XIBFBBQUFNDISF-GJZGRUSLSA-N 0 1 263.385 2.711 20 30 CFEDMN CCOC[C@@H]1CCCN(Cc2ccc(F)c(C#N)c2)C1 ZINC000120955227 376731562 /nfs/dbraw/zinc/73/15/62/376731562.db2.gz OKHSDGAYDUILJH-CQSZACIVSA-N 0 1 276.355 2.946 20 30 CFEDMN CC[C@@H]1C[N@@H+](Cc2ccc(C#N)cc2OC)CCS1 ZINC000121092766 376759786 /nfs/dbraw/zinc/75/97/86/376759786.db2.gz SBYUSFFTVIQACT-CQSZACIVSA-N 0 1 276.405 2.894 20 30 CFEDMN CC[C@@H]1CN(Cc2ccc(C#N)cc2OC)CCS1 ZINC000121092766 376759794 /nfs/dbraw/zinc/75/97/94/376759794.db2.gz SBYUSFFTVIQACT-CQSZACIVSA-N 0 1 276.405 2.894 20 30 CFEDMN COc1cc(C#N)ccc1C[N@H+]1CCS[C@@H](C)[C@H]1C ZINC000120999837 376740323 /nfs/dbraw/zinc/74/03/23/376740323.db2.gz ICPBRZDXLPWRIR-NEPJUHHUSA-N 0 1 276.405 2.893 20 30 CFEDMN COc1cc(C#N)ccc1CN1CCS[C@@H](C)[C@H]1C ZINC000120999837 376740337 /nfs/dbraw/zinc/74/03/37/376740337.db2.gz ICPBRZDXLPWRIR-NEPJUHHUSA-N 0 1 276.405 2.893 20 30 CFEDMN C=CCN(C)[C@H](C)C(=O)N[C@@H](C)c1ccccc1C ZINC000121320221 376805298 /nfs/dbraw/zinc/80/52/98/376805298.db2.gz LMCUMJWILSMIIC-UONOGXRCSA-N 0 1 260.381 2.679 20 30 CFEDMN C=CCN(C)Cc1cc2c(c(Br)c1)OCO2 ZINC000121579478 376861030 /nfs/dbraw/zinc/86/10/30/376861030.db2.gz UPFOYKGMEYGFPV-UHFFFAOYSA-N 0 1 284.153 2.796 20 30 CFEDMN CCNC(=O)C(C#N)c1nc(-c2ccccc2)cs1 ZINC000122057990 376922054 /nfs/dbraw/zinc/92/20/54/376922054.db2.gz HJSNNVGIEJOZTE-NSHDSACASA-N 0 1 271.345 2.553 20 30 CFEDMN CN(C(=O)CN1CCC2(CCC2)C1)C1(C#N)CCCCC1 ZINC000123035213 376944769 /nfs/dbraw/zinc/94/47/69/376944769.db2.gz YCXHVUZVBSLGQH-UHFFFAOYSA-N 0 1 289.423 2.547 20 30 CFEDMN C=CCN(Cc1cc(=O)c(O)co1)CC1CCCCC1 ZINC000124853191 377097298 /nfs/dbraw/zinc/09/72/98/377097298.db2.gz UJUUUUIWEZYOHN-UHFFFAOYSA-N 0 1 277.364 2.914 20 30 CFEDMN CCC1CCN(Cc2cnc3ccc(C#N)cn23)CC1 ZINC000125325178 377142412 /nfs/dbraw/zinc/14/24/12/377142412.db2.gz OVORTSBUDBSZBO-UHFFFAOYSA-N 0 1 268.364 2.828 20 30 CFEDMN CC[N@H+](CCC#N)Cc1cc(Cl)cc([N+](=O)[O-])c1[O-] ZINC000127612291 377293142 /nfs/dbraw/zinc/29/31/42/377293142.db2.gz GOPQDHVYGNQTEN-UHFFFAOYSA-N 0 1 283.715 2.689 20 30 CFEDMN CC[N@@H+](CCC#N)Cc1cc(Cl)cc([N+](=O)[O-])c1[O-] ZINC000127612291 377293145 /nfs/dbraw/zinc/29/31/45/377293145.db2.gz GOPQDHVYGNQTEN-UHFFFAOYSA-N 0 1 283.715 2.689 20 30 CFEDMN C=CCCC(=O)N1CCC(Cc2n[nH]c(C(C)C)n2)CC1 ZINC000636116236 383720943 /nfs/dbraw/zinc/72/09/43/383720943.db2.gz MFLXFPVZCUVLKM-UHFFFAOYSA-N 0 1 290.411 2.675 20 30 CFEDMN C=CCCC(=O)N1CCC(Cc2nnc(C(C)C)[nH]2)CC1 ZINC000636116236 383720949 /nfs/dbraw/zinc/72/09/49/383720949.db2.gz MFLXFPVZCUVLKM-UHFFFAOYSA-N 0 1 290.411 2.675 20 30 CFEDMN COCC#CCN1CCC[C@H]1/C=C/c1ccccc1 ZINC000679545002 542206447 /nfs/dbraw/zinc/20/64/47/542206447.db2.gz JLWPNBUFZYYWRB-FLVLSHQESA-N 0 1 255.361 2.814 20 30 CFEDMN CCOC(=O)CN(CCCC(C)(C)C#N)C(C)(C)C ZINC000130763214 377608285 /nfs/dbraw/zinc/60/82/85/377608285.db2.gz ZTYOVKPHBOFDPI-UHFFFAOYSA-N 0 1 268.401 2.980 20 30 CFEDMN C[C@@H](N[C@H](C)c1cccc(C#N)c1)C(=O)NC(C)(C)C ZINC000134804573 378049778 /nfs/dbraw/zinc/04/97/78/378049778.db2.gz YMOBQNCBZYVVJD-VXGBXAGGSA-N 0 1 273.380 2.512 20 30 CFEDMN CCCCCCCCCNC(=O)c1n[nH]cc1[N+](=O)[O-] ZINC000134523431 378026260 /nfs/dbraw/zinc/02/62/60/378026260.db2.gz FPWKQGHKSBEYTI-UHFFFAOYSA-N 0 1 282.344 2.798 20 30 CFEDMN CN(C)c1ccc(C(N)=NOCCCC(C)(C)C#N)cc1 ZINC000135490378 378138326 /nfs/dbraw/zinc/13/83/26/378138326.db2.gz JBBCMURCYFMPGT-UHFFFAOYSA-N 0 1 288.395 2.719 20 30 CFEDMN C=CCC[C@H](O)CN[C@@H](CF)c1ccc(F)cc1 ZINC000640152744 383726207 /nfs/dbraw/zinc/72/62/07/383726207.db2.gz HLCHFRWSUJMMBX-KBPBESRZSA-N 0 1 255.308 2.753 20 30 CFEDMN C=CCCCN(C)CC(=O)Nc1nnc(CCCC)s1 ZINC000137535319 378226413 /nfs/dbraw/zinc/22/64/13/378226413.db2.gz OGZDMPRNZZJTNZ-UHFFFAOYSA-N 0 1 296.440 2.717 20 30 CFEDMN C[C@@H](C(=O)Nc1ccccc1C#N)N1C[C@@H]2CCC[C@@H]2C1 ZINC000148075774 378255223 /nfs/dbraw/zinc/25/52/23/378255223.db2.gz ACBHNRMRRNBISI-AEGPPILISA-N 0 1 283.375 2.617 20 30 CFEDMN CCc1nc([C@H](C)NC(=O)N[C@@H]2CC[C@H](C)C[C@H]2C)n[nH]1 ZINC000328956801 378444688 /nfs/dbraw/zinc/44/46/88/378444688.db2.gz ZJQKDBYCZWJMDK-WHOHXGKFSA-N 0 1 293.415 2.756 20 30 CFEDMN Cc1cc([C@H]2CCCN(C(=O)NCC3(C)CC3)C2)n[nH]1 ZINC000328735632 378419215 /nfs/dbraw/zinc/41/92/15/378419215.db2.gz KSTZNJMRHXFQQD-LBPRGKRZSA-N 0 1 276.384 2.612 20 30 CFEDMN CCCc1nc(C(=O)NCCN2CC=C(C)CC2)co1 ZINC000329623369 378471452 /nfs/dbraw/zinc/47/14/52/378471452.db2.gz SCZZFRKSFINNIP-UHFFFAOYSA-N 0 1 277.368 2.584 20 30 CFEDMN Cn1cc(-c2ccccc2CNC(=O)[C@@H]2CCCN2C)cn1 ZINC000328890304 378436417 /nfs/dbraw/zinc/43/64/17/378436417.db2.gz RLMMVFREHVDGCQ-INIZCTEOSA-N 0 1 298.390 2.638 20 30 CFEDMN CC(C)N(CCCCC#N)CC(=O)OC(C)(C)C ZINC000153954644 378525620 /nfs/dbraw/zinc/52/56/20/378525620.db2.gz BBDDPGFNSQGABV-UHFFFAOYSA-N 0 1 254.374 2.732 20 30 CFEDMN C[C@@H]1CCC[C@H](NC(=O)N[C@H]2CCc3nc[nH]c3C2)CC1 ZINC000329644177 378474498 /nfs/dbraw/zinc/47/44/98/378474498.db2.gz DDPDOMCXHXUJAI-AGIUHOORSA-N 0 1 290.411 2.739 20 30 CFEDMN Cc1[nH]ncc1CNC(=O)Nc1scnc1C1CC1 ZINC000329742418 378491420 /nfs/dbraw/zinc/49/14/20/378491420.db2.gz PKVNLFGAJQMOLS-UHFFFAOYSA-N 0 1 277.353 2.578 20 30 CFEDMN Cc1ccccc1[C@H]1C[C@H](NC(=O)N[C@@H](C)c2nnc[nH]2)C1 ZINC000329811521 378499793 /nfs/dbraw/zinc/49/97/93/378499793.db2.gz RLCAUNBSJWBVMU-AVGNSLFASA-N 0 1 299.378 2.624 20 30 CFEDMN C[C@H](NC(=O)N[C@H]1CCCCC12CCCC2)c1nnc[nH]1 ZINC000329822816 378500861 /nfs/dbraw/zinc/50/08/61/378500861.db2.gz QCYHLFRLDNAJEQ-RYUDHWBXSA-N 0 1 291.399 2.872 20 30 CFEDMN Cc1ncoc1C(=O)N[C@@H]1C[C@H](C)N(Cc2ccccc2)C1 ZINC000329850688 378504519 /nfs/dbraw/zinc/50/45/19/378504519.db2.gz SMJDKJWBVGXIHP-SWLSCSKDSA-N 0 1 299.374 2.951 20 30 CFEDMN CN(CC1CCCCC1)C([O-])=[NH+][C@H]1CCc2c[nH]nc2C1 ZINC000329874401 378507869 /nfs/dbraw/zinc/50/78/69/378507869.db2.gz FQLKAQPDEYJPKP-AWEZNQCLSA-N 0 1 290.411 2.693 20 30 CFEDMN CC(C)n1cc(C(=O)N[C@@H]2CC[N@H+](C3CCCC3)C2)cn1 ZINC000329901862 378511156 /nfs/dbraw/zinc/51/11/56/378511156.db2.gz OYBLGXHAUNMMOD-CQSZACIVSA-N 0 1 290.411 2.786 20 30 CFEDMN O=C(NCC1(C(F)F)CC1)[C@H]1CCCc2[nH]ncc21 ZINC000329948787 378517521 /nfs/dbraw/zinc/51/75/21/378517521.db2.gz ZKFTUXULBOBDAY-QMMMGPOBSA-N 0 1 269.295 2.831 20 30 CFEDMN C=C(C)C[C@H](C)C(=O)N1CCCC[C@H]1c1n[nH]c(C)n1 ZINC000330407229 378547600 /nfs/dbraw/zinc/54/76/00/378547600.db2.gz ZHVIXYHQOKRRRL-AAEUAGOBSA-N 0 1 276.384 2.769 20 30 CFEDMN O=C(N[C@H]1CCCc2cn[nH]c21)N1CC2(C1)CCCC2 ZINC000330277606 378533146 /nfs/dbraw/zinc/53/31/46/378533146.db2.gz OMBVBOJEHQSFAY-LBPRGKRZSA-N 0 1 274.368 2.577 20 30 CFEDMN C=C(C)CN(CC)[C@@H](C)C(=O)NCc1ccc(C)cc1 ZINC000155140522 378613184 /nfs/dbraw/zinc/61/31/84/378613184.db2.gz NVJJSVVZECMLOP-HNNXBMFYSA-N 0 1 274.408 2.898 20 30 CFEDMN C[C@H]1CC[C@H](NC(=O)NCCc2cscn2)CC1 ZINC000331179530 378645688 /nfs/dbraw/zinc/64/56/88/378645688.db2.gz QSFJTNXODNUIBV-XYPYZODXSA-N 0 1 267.398 2.768 20 30 CFEDMN CCC(C)(C)[C@H]1CCC[N@H+]1CC(=O)N[C@@](C)(C#N)C(C)C ZINC000156991415 378649527 /nfs/dbraw/zinc/64/95/27/378649527.db2.gz MMSFUXCFVFDBHU-PBHICJAKSA-N 0 1 293.455 2.941 20 30 CFEDMN CC[C@@H]1CCCN1Cc1nnc(-c2cccc(C#N)c2)o1 ZINC000332135612 378729265 /nfs/dbraw/zinc/72/92/65/378729265.db2.gz KYXBGSZNHXPSOF-CQSZACIVSA-N 0 1 282.347 2.983 20 30 CFEDMN Cn1cc(C#N)cc1C(=O)Nc1cc(Cl)c(O)cc1F ZINC000334205387 378922138 /nfs/dbraw/zinc/92/21/38/378922138.db2.gz XRMPMBGBQBMPFP-UHFFFAOYSA-N 0 1 293.685 2.647 20 30 CFEDMN C=C[C@](C)(O)CC(=O)Nc1ccc2nc(C(F)F)[nH]c2c1 ZINC000278611364 194067652 /nfs/dbraw/zinc/06/76/52/194067652.db2.gz DLWJXHJGOSJWLO-AWEZNQCLSA-N 0 1 295.289 2.766 20 30 CFEDMN Cc1cccc2c1[nH]cc(C(=O)N(C)[C@@H](C)CC#N)c2=O ZINC000164597755 379019503 /nfs/dbraw/zinc/01/95/03/379019503.db2.gz GJTLUFSOGCLMAB-NSHDSACASA-N 0 1 283.331 2.623 20 30 CFEDMN C=CCN(C(=O)c1ccc(O)c(Cl)c1)C1CC1 ZINC000165378929 379038294 /nfs/dbraw/zinc/03/82/94/379038294.db2.gz NGWCVBJVXRJZPM-UHFFFAOYSA-N 0 1 251.713 2.836 20 30 CFEDMN C#C[C@H](C)NCc1cc(Br)ccc1OC ZINC000166419102 379054818 /nfs/dbraw/zinc/05/48/18/379054818.db2.gz ZMKCPHNRGCKLJD-VIFPVBQESA-N 0 1 268.154 2.569 20 30 CFEDMN C=CC[C@@H](C)NCc1c(Cl)cccc1S(C)(=O)=O ZINC000168985991 379102848 /nfs/dbraw/zinc/10/28/48/379102848.db2.gz GAZGQTASEPTXPA-SNVBAGLBSA-N 0 1 287.812 2.798 20 30 CFEDMN CC[C@](C)(C#N)C(=O)Nc1nc2ccc(C)cc2[nH]1 ZINC000334379312 379191490 /nfs/dbraw/zinc/19/14/90/379191490.db2.gz YJBIYBTUGZLTSO-CQSZACIVSA-N 0 1 256.309 2.750 20 30 CFEDMN CC(C)(C)CCN1C[C@H](C#N)[C@@]2(C1)c1ccccc1NC2=O ZINC000334415216 379258531 /nfs/dbraw/zinc/25/85/31/379258531.db2.gz WWGBDMSDPKCZJC-UGSOOPFHSA-N 0 1 297.402 2.768 20 30 CFEDMN CC(C)(C)CCN1C[C@H](C#N)[C@]2(C1)c1ccccc1NC2=O ZINC000334415209 379259511 /nfs/dbraw/zinc/25/95/11/379259511.db2.gz WWGBDMSDPKCZJC-SCLBCKFNSA-N 0 1 297.402 2.768 20 30 CFEDMN CC(C)(C)[C@H]1CC[N@@H+](Cc2ccc(C#N)s2)C[C@@H]1O ZINC000334502550 379406369 /nfs/dbraw/zinc/40/63/69/379406369.db2.gz BKBGNIJDWHUXHG-KBPBESRZSA-N 0 1 278.421 2.849 20 30 CFEDMN CC(C)(C)[C@H]1CCN(Cc2ccc(C#N)s2)C[C@@H]1O ZINC000334502550 379406373 /nfs/dbraw/zinc/40/63/73/379406373.db2.gz BKBGNIJDWHUXHG-KBPBESRZSA-N 0 1 278.421 2.849 20 30 CFEDMN COC[C@@H]1CCCN(Cc2ccc(C#N)cc2F)C1 ZINC000171996535 379463567 /nfs/dbraw/zinc/46/35/67/379463567.db2.gz BXNYGGHEBNLSAU-CYBMUJFWSA-N 0 1 262.328 2.556 20 30 CFEDMN Cn1cc(C[N@H+]2CCSC3(CCC3)CC2)cc1C#N ZINC000335640901 379644559 /nfs/dbraw/zinc/64/45/59/379644559.db2.gz DKHYXTCEINTSJK-UHFFFAOYSA-N 0 1 275.421 2.758 20 30 CFEDMN C=CCN(CC=C)C[C@H]1CN(c2ccccc2)C(=O)O1 ZINC000172807203 379649388 /nfs/dbraw/zinc/64/93/88/379649388.db2.gz GHGJFYKUABRHBJ-HNNXBMFYSA-N 0 1 272.348 2.686 20 30 CFEDMN N#CC1(C(=O)Nc2nc3ccc(F)cc3[nH]2)CCCC1 ZINC000335696206 379737729 /nfs/dbraw/zinc/73/77/29/379737729.db2.gz WXXRDJCCIAOMGH-UHFFFAOYSA-N 0 1 272.283 2.724 20 30 CFEDMN N#Cc1ccc(CN2CCSC[C@H]2C2CC2)s1 ZINC000334679948 379755562 /nfs/dbraw/zinc/75/55/62/379755562.db2.gz YIHGCMVAAPLEEQ-ZDUSSCGKSA-N 0 1 264.419 2.947 20 30 CFEDMN N#Cc1ccc(C[N@H+]2CCOC[C@@H](C3CCC3)C2)cc1F ZINC000335713886 379770078 /nfs/dbraw/zinc/77/00/78/379770078.db2.gz YPOQDZUWYCEERB-INIZCTEOSA-N 0 1 288.366 2.946 20 30 CFEDMN N#Cc1ccc(CN2CCOC[C@@H](C3CCC3)C2)cc1F ZINC000335713886 379770089 /nfs/dbraw/zinc/77/00/89/379770089.db2.gz YPOQDZUWYCEERB-INIZCTEOSA-N 0 1 288.366 2.946 20 30 CFEDMN Cc1cc(C#N)ccc1C(=O)Nc1ncc(C(F)(F)F)[nH]1 ZINC000335780270 379877364 /nfs/dbraw/zinc/87/73/64/379877364.db2.gz AQWITSYIQVLKOH-UHFFFAOYSA-N 0 1 294.236 2.861 20 30 CFEDMN C=CCN(Cc1ccccc1F)C(=O)c1cc(C)[nH]n1 ZINC000048750140 412920695 /nfs/dbraw/zinc/92/06/95/412920695.db2.gz JGIRTYUUCCWONY-UHFFFAOYSA-N 0 1 273.311 2.686 20 30 CFEDMN CO[C@@H]1CC[N@@H+](Cc2cccc(C#N)c2F)[C@H](C)C1 ZINC000335918773 380106647 /nfs/dbraw/zinc/10/66/47/380106647.db2.gz VSDVNIYVKJWWIT-BXUZGUMPSA-N 0 1 262.328 2.697 20 30 CFEDMN CO[C@@H]1CCN(Cc2cccc(C#N)c2F)[C@H](C)C1 ZINC000335918773 380106651 /nfs/dbraw/zinc/10/66/51/380106651.db2.gz VSDVNIYVKJWWIT-BXUZGUMPSA-N 0 1 262.328 2.697 20 30 CFEDMN C[C@@H]1C[C@@]1(C#N)C(=O)Nc1cc(Cl)c(O)cc1F ZINC000336290487 380310409 /nfs/dbraw/zinc/31/04/09/380310409.db2.gz LQRPLQMVHSTRCO-INWYIAFRSA-N 0 1 268.675 2.673 20 30 CFEDMN C[C@H]1CSC[C@H]1NCc1cccc(F)c1C#N ZINC000336515272 380394971 /nfs/dbraw/zinc/39/49/71/380394971.db2.gz NGXQAXJXKKQEAW-TVQRCGJNSA-N 0 1 250.342 2.538 20 30 CFEDMN N#Cc1c[nH]c(C(=O)Nc2cc(Cl)c(O)cc2F)c1 ZINC000336589586 380511858 /nfs/dbraw/zinc/51/18/58/380511858.db2.gz UTYOMRIWGMJNHX-UHFFFAOYSA-N 0 1 279.658 2.637 20 30 CFEDMN COCCN(CCOC1CCC1)Cc1ccc(C#N)cc1 ZINC000287377981 380817910 /nfs/dbraw/zinc/81/79/10/380817910.db2.gz QPGHJNCIMSLHJX-UHFFFAOYSA-N 0 1 288.391 2.576 20 30 CFEDMN C=CCN(Cc1cc(C(=O)OCC)c(C)[nH]1)C1CC1 ZINC000295383334 380821000 /nfs/dbraw/zinc/82/10/00/380821000.db2.gz KROYBYOYSWYMRB-UHFFFAOYSA-N 0 1 262.353 2.650 20 30 CFEDMN C[C@]1(F)CCCN(CCOc2cccc(C#N)c2)C1 ZINC000295451750 380862896 /nfs/dbraw/zinc/86/28/96/380862896.db2.gz PNKBCQPOKPCUJC-HNNXBMFYSA-N 0 1 262.328 2.761 20 30 CFEDMN CCN1C[C@@H](C)N(Cc2ccc(C#N)s2)C[C@@H]1C ZINC000353820072 380876804 /nfs/dbraw/zinc/87/68/04/380876804.db2.gz QXGDDCRDSNURFR-NWDGAFQWSA-N 0 1 263.410 2.534 20 30 CFEDMN CC(C)[C@](C)(C#N)NC(=O)CN1CCCC2(CCCC2)C1 ZINC000408445236 380925400 /nfs/dbraw/zinc/92/54/00/380925400.db2.gz WIVHNBITOSVWGY-INIZCTEOSA-N 0 1 291.439 2.697 20 30 CFEDMN CC(C)[C@@](C)(C#N)NC(=O)CN1CCCC2(CCCC2)C1 ZINC000408445239 380926009 /nfs/dbraw/zinc/92/60/09/380926009.db2.gz WIVHNBITOSVWGY-MRXNPFEDSA-N 0 1 291.439 2.697 20 30 CFEDMN C[C@H](CC#N)N(C)CC1CCN(C(=O)C(C)(C)C)CC1 ZINC000181743101 380881763 /nfs/dbraw/zinc/88/17/63/380881763.db2.gz YUTJJYFIEMAFAO-CYBMUJFWSA-N 0 1 279.428 2.505 20 30 CFEDMN C[C@@H](NCC(=O)Nc1ccc(F)cc1)c1cccc(C#N)c1 ZINC000181990132 380957918 /nfs/dbraw/zinc/95/79/18/380957918.db2.gz NBYBVVNQOYXINF-GFCCVEGCSA-N 0 1 297.333 2.987 20 30 CFEDMN C(#Cc1ccccc1)CN1CC[C@H](OCc2ccncc2)C1 ZINC000287920288 380971719 /nfs/dbraw/zinc/97/17/19/380971719.db2.gz WCIGLDBITKOXDI-IBGZPJMESA-N 0 1 292.382 2.724 20 30 CFEDMN C=C(CC)CN(C)[C@H]1CCN(c2ccccc2)C1=O ZINC000358621049 380975304 /nfs/dbraw/zinc/97/53/04/380975304.db2.gz RDCYJZLJLNKRCD-HNNXBMFYSA-N 0 1 258.365 2.690 20 30 CFEDMN C=CCN(C)Cc1ccc(C(=O)OC)c(Cl)c1 ZINC000295623189 380981353 /nfs/dbraw/zinc/98/13/53/380981353.db2.gz AOEKKJPSCAWBSP-UHFFFAOYSA-N 0 1 253.729 2.744 20 30 CFEDMN CC(C)n1cc(C#N)c(=NC(=O)C2CC(C(C)(C)C)C2)[nH]1 ZINC000410540396 380982486 /nfs/dbraw/zinc/98/24/86/380982486.db2.gz MISGLUBZWZMNEA-UHFFFAOYSA-N 0 1 288.395 2.768 20 30 CFEDMN C[C@H]1CN(CCC2(C#N)CCCCC2)[C@@H](C)CO1 ZINC000411147682 381013259 /nfs/dbraw/zinc/01/32/59/381013259.db2.gz PZCNAKNPASNGQU-KBPBESRZSA-N 0 1 250.386 2.960 20 30 CFEDMN C[C@](NCCC1(C#N)CCCCC1)(C(N)=O)c1ccccc1 ZINC000411358330 381023804 /nfs/dbraw/zinc/02/38/04/381023804.db2.gz PRNIRSZHBSIAAU-QGZVFWFLSA-N 0 1 299.418 2.841 20 30 CFEDMN COC[C@@H]1CCN1Cc1cccc(OCCCC#N)c1 ZINC000354058831 381052677 /nfs/dbraw/zinc/05/26/77/381052677.db2.gz LMFBLTUTMNGTLW-HNNXBMFYSA-N 0 1 274.364 2.590 20 30 CFEDMN CC[C@H]1CN(C(C)=O)[C@@H](CC)CN1Cc1ccc(C#N)cc1 ZINC000354119654 381092348 /nfs/dbraw/zinc/09/23/48/381092348.db2.gz JCHNVVCCIMGAKC-ROUUACIJSA-N 0 1 299.418 2.780 20 30 CFEDMN CC#CCN(Cc1cccs1)[C@H]1C=C[C@@H](CO)C1 ZINC000347339654 381079804 /nfs/dbraw/zinc/07/98/04/381079804.db2.gz MQDGQHVLNDOQQG-KGLIPLIRSA-N 0 1 261.390 2.510 20 30 CFEDMN C=C[C@@H](CO)N[C@H](C)c1ccc(F)cc1OC(F)F ZINC000289770051 381148429 /nfs/dbraw/zinc/14/84/29/381148429.db2.gz MDGDXEOXEMWRBV-SCZZXKLOSA-N 0 1 275.270 2.625 20 30 CFEDMN CCOC1CC(N(C)Cc2cn3ccccc3c2C#N)C1 ZINC000347454422 381161524 /nfs/dbraw/zinc/16/15/24/381161524.db2.gz ROMJXTISUXEDLN-UHFFFAOYSA-N 0 1 283.375 2.810 20 30 CFEDMN C=C[C@@H](CO)N[C@@H](C)c1cc(Cl)ccc1OCC ZINC000289729103 381124130 /nfs/dbraw/zinc/12/41/30/381124130.db2.gz JZRGXQPMRLLEKM-JQWIXIFHSA-N 0 1 269.772 2.936 20 30 CFEDMN C=CCCC1(C(=O)NCCN2CCc3ccccc3C2)CC1 ZINC000354321710 381202384 /nfs/dbraw/zinc/20/23/84/381202384.db2.gz ZHGDSYXUUXVGNX-UHFFFAOYSA-N 0 1 298.430 2.907 20 30 CFEDMN C=C(C)COCCN[C@H](COC)c1ccc(F)c(F)c1 ZINC000183338395 381257938 /nfs/dbraw/zinc/25/79/38/381257938.db2.gz GPSFJHIJYYSRQS-OAHLLOKOSA-N 0 1 285.334 2.835 20 30 CFEDMN N#Cc1ccc(CN2CCCO[C@@H]3CCC[C@@H]32)c(F)c1 ZINC000369455450 381262464 /nfs/dbraw/zinc/26/24/64/381262464.db2.gz BZOOTTXZUCPAGM-JKSUJKDBSA-N 0 1 274.339 2.841 20 30 CFEDMN CC[C@H](CO)/N=C/c1cc(Cl)cc(Cl)c1O ZINC000183385581 381264320 /nfs/dbraw/zinc/26/43/20/381264320.db2.gz YOBCIJRDFKTONL-SVOHMGGZSA-N 0 1 262.136 2.889 20 30 CFEDMN C=CC[C@H](C)NC(=O)[C@@H](CC)N(C)Cc1ccccc1 ZINC000354402920 381247466 /nfs/dbraw/zinc/24/74/66/381247466.db2.gz YECBSNGBLSMAPH-GOEBONIOSA-N 0 1 274.408 2.978 20 30 CFEDMN CN(CC[C@H]1CCCO1)Cc1cccc(C#N)c1F ZINC000342614244 381435550 /nfs/dbraw/zinc/43/55/50/381435550.db2.gz ZTJYXPRXXRZPBQ-CQSZACIVSA-N 0 1 262.328 2.698 20 30 CFEDMN CN(CC[C@@H]1CCCO1)Cc1cccc(C#N)c1F ZINC000342614242 381435631 /nfs/dbraw/zinc/43/56/31/381435631.db2.gz ZTJYXPRXXRZPBQ-AWEZNQCLSA-N 0 1 262.328 2.698 20 30 CFEDMN C=CCOCCCN1CCO[C@@H](CCc2ccccc2)C1 ZINC000348063985 381460045 /nfs/dbraw/zinc/46/00/45/381460045.db2.gz XCOXLDWCPUJYBM-SFHVURJKSA-N 0 1 289.419 2.913 20 30 CFEDMN C=C1CCN([C@H]2CCCN(CC(C)(C)C)C2=O)CC1 ZINC000359608908 381504235 /nfs/dbraw/zinc/50/42/35/381504235.db2.gz GATCWDCWNYYGPW-AWEZNQCLSA-N 0 1 264.413 2.676 20 30 CFEDMN N#Cc1ccc(C(=O)Nc2cc(C3CC3)ccn2)cc1O ZINC000359649320 381532990 /nfs/dbraw/zinc/53/29/90/381532990.db2.gz GDINUENBKWLJRM-UHFFFAOYSA-N 0 1 279.299 2.789 20 30 CFEDMN N#Cc1cc(Cl)ccc1N1CCC[C@H](c2nc[nH]n2)C1 ZINC000371271333 381580342 /nfs/dbraw/zinc/58/03/42/381580342.db2.gz PNSOFMUOYISROY-JTQLQIEISA-N 0 1 287.754 2.714 20 30 CFEDMN C=CCN(CCOC)Cc1ccc(OC)c(OC)c1C ZINC000348413862 381559697 /nfs/dbraw/zinc/55/96/97/381559697.db2.gz TYXPTNQWHUZCRU-UHFFFAOYSA-N 0 1 279.380 2.647 20 30 CFEDMN CC(C)c1nc([C@@H](C)NCc2cc(C#N)cs2)n[nH]1 ZINC000342823886 381569557 /nfs/dbraw/zinc/56/95/57/381569557.db2.gz XXTABRWYMFFTSW-SECBINFHSA-N 0 1 275.381 2.712 20 30 CFEDMN N#Cc1cc(NC(=O)c2cccc3cn[nH]c32)ccc1F ZINC000342851764 381584306 /nfs/dbraw/zinc/58/43/06/381584306.db2.gz DCPRXUDSVVSBGY-UHFFFAOYSA-N 0 1 280.262 2.826 20 30 CFEDMN C=CCOc1ccc(CNCc2cnc(CC)nc2)cc1 ZINC000414434779 381586890 /nfs/dbraw/zinc/58/68/90/381586890.db2.gz DUQBRZADIHPPBB-UHFFFAOYSA-N 0 1 283.375 2.894 20 30 CFEDMN CCOC[C@H](NCc1ccc(F)cc1C#N)C(C)C ZINC000348482026 381588783 /nfs/dbraw/zinc/58/87/83/381588783.db2.gz VRISBBATRAAVGM-HNNXBMFYSA-N 0 1 264.344 2.848 20 30 CFEDMN CC1(C)CN(Cc2ccc(C#N)s2)CCCO1 ZINC000371330851 381593722 /nfs/dbraw/zinc/59/37/22/381593722.db2.gz CXKPKRJARCHRHF-UHFFFAOYSA-N 0 1 250.367 2.621 20 30 CFEDMN C[C@@H](c1ccccc1)N1CCN(c2cccc(C#N)n2)CC1 ZINC000355105092 381613534 /nfs/dbraw/zinc/61/35/34/381613534.db2.gz VNGSZNRKUHSTQN-HNNXBMFYSA-N 0 1 292.386 2.836 20 30 CFEDMN CN(Cc1cc(C#N)ccc1F)C[C@H](O)Cc1ccccc1 ZINC000298442574 381626877 /nfs/dbraw/zinc/62/68/77/381626877.db2.gz DCMBFUVYCDMTFK-QGZVFWFLSA-N 0 1 298.361 2.733 20 30 CFEDMN C=C(Br)CN1CCCC2(CCOCC2)C1 ZINC000371756314 381696707 /nfs/dbraw/zinc/69/67/07/381696707.db2.gz XFNKMXYFMKLDOU-UHFFFAOYSA-N 0 1 274.202 2.788 20 30 CFEDMN Cc1c(Cl)cnc(N2CCN(CC(C)C)CC2)c1C#N ZINC000343481098 381742920 /nfs/dbraw/zinc/74/29/20/381742920.db2.gz SSPOUJNYRCURQA-UHFFFAOYSA-N 0 1 292.814 2.693 20 30 CFEDMN CCN1C[C@H](C)N(c2ncc(Cl)c(C)c2C#N)C[C@@H]1C ZINC000343482331 381744328 /nfs/dbraw/zinc/74/43/28/381744328.db2.gz WDVYOFBWVHBZPJ-QWRGUYRKSA-N 0 1 292.814 2.834 20 30 CFEDMN CCC[C@@H]1CN(C(=O)[C@H](C)C#N)CCN1Cc1ccccc1 ZINC000343538817 381782292 /nfs/dbraw/zinc/78/22/92/381782292.db2.gz WBISBLKERQDTMC-NVXWUHKLSA-N 0 1 299.418 2.659 20 30 CFEDMN C=CCCC[C@H](C)NC(=O)c1cn[nH]c1-c1ccccn1 ZINC000355682227 381795128 /nfs/dbraw/zinc/79/51/28/381795128.db2.gz WOOIRHGJWPUJJK-LBPRGKRZSA-N 0 1 284.363 2.946 20 30 CFEDMN CCc1ccc(CN2CC[C@@H](Oc3ccc(C#N)cn3)C2)o1 ZINC000292759283 381823462 /nfs/dbraw/zinc/82/34/62/381823462.db2.gz JHZVQHQRWMGHAV-MRXNPFEDSA-N 0 1 297.358 2.762 20 30 CFEDMN C#CCN1CCC(C(=O)N(C)[C@@H](C)c2ccccc2)CC1 ZINC000299138093 381837312 /nfs/dbraw/zinc/83/73/12/381837312.db2.gz HSSIRPGRCYGBTG-HNNXBMFYSA-N 0 1 284.403 2.551 20 30 CFEDMN N#CC(C(=O)c1cncnc1)c1nccc2ccccc21 ZINC000361517598 381837514 /nfs/dbraw/zinc/83/75/14/381837514.db2.gz DOZHZOJCMPAYBL-AWEZNQCLSA-N 0 1 274.283 2.515 20 30 CFEDMN C=C(C)Cn1c(-c2ccoc2)n[n-]c1=[NH+]C(C)(C)C ZINC000361319288 381819807 /nfs/dbraw/zinc/81/98/07/381819807.db2.gz VEDQZBRBXDQGIL-UHFFFAOYSA-N 0 1 260.341 2.747 20 30 CFEDMN C=CCOCCN(CC(=O)Nc1ccc(F)cc1)C(C)C ZINC000292845096 381861510 /nfs/dbraw/zinc/86/15/10/381861510.db2.gz PWTOGLXAHPZNBX-UHFFFAOYSA-N 0 1 294.370 2.677 20 30 CFEDMN C#CCCN(CCC)CC(=O)Nc1ccc(F)c(F)c1F ZINC000299217667 381862439 /nfs/dbraw/zinc/86/24/39/381862439.db2.gz IFSPPZZCMJWZSX-UHFFFAOYSA-N 0 1 298.308 2.778 20 30 CFEDMN C=CCOCCCN1C[C@@H](O)C[C@H]1c1cc(F)ccc1F ZINC000343740407 381918021 /nfs/dbraw/zinc/91/80/21/381918021.db2.gz MFAQBRDYFVODAA-BBRMVZONSA-N 0 1 297.345 2.665 20 30 CFEDMN CC(C)[C@@]1(CO)CCCN(Cc2ccccc2C#N)C1 ZINC000293050222 381967250 /nfs/dbraw/zinc/96/72/50/381967250.db2.gz MTQZQWAYRQKKCU-KRWDZBQOSA-N 0 1 272.392 2.789 20 30 CFEDMN CC#CCCCC(=O)Nc1[nH]nc(-c2ccncc2)c1C ZINC000373369403 381988241 /nfs/dbraw/zinc/98/82/41/381988241.db2.gz KSWUIAABPXAJKH-UHFFFAOYSA-N 0 1 282.347 2.912 20 30 CFEDMN C=C(C)CN(CC)C(=O)[C@H](C)N1CCS[C@H](C(C)C)C1 ZINC000362385121 382041083 /nfs/dbraw/zinc/04/10/83/382041083.db2.gz SFZIVKVAJMDNGE-GJZGRUSLSA-N 0 1 298.496 2.873 20 30 CFEDMN C=C(C)[C@H](NCc1n[nH]c(C)n1)c1ccc(F)c(F)c1 ZINC000293246324 382045719 /nfs/dbraw/zinc/04/57/19/382045719.db2.gz RFKUCWXNTMJMOF-AWEZNQCLSA-N 0 1 278.306 2.798 20 30 CFEDMN C=CCSc1ccccc1C(=O)N[C@H](C)c1nnc[nH]1 ZINC000362412155 382057054 /nfs/dbraw/zinc/05/70/54/382057054.db2.gz RTWZZQYYXKYIHP-SNVBAGLBSA-N 0 1 288.376 2.574 20 30 CFEDMN COc1ccc2c(c1)OCCN(CCCCC#N)C2 ZINC000374859716 382059387 /nfs/dbraw/zinc/05/93/87/382059387.db2.gz XLDPGQNKOYRHHZ-UHFFFAOYSA-N 0 1 260.337 2.583 20 30 CFEDMN C=C(C)CN(C)CC(=O)N(C)Cc1ccc(CC)cc1 ZINC000351062717 382023450 /nfs/dbraw/zinc/02/34/50/382023450.db2.gz JQXTWZYNNICCOJ-UHFFFAOYSA-N 0 1 274.408 2.715 20 30 CFEDMN C=C(C)CN(C)CC(=O)N(C)Cc1ccc(OCC)cc1 ZINC000351061853 382023498 /nfs/dbraw/zinc/02/34/98/382023498.db2.gz HPDMYPCNHKNXGP-UHFFFAOYSA-N 0 1 290.407 2.552 20 30 CFEDMN Cc1cc(-c2noc([C@]3(C#N)C[C@H]3C)n2)cc2nc[nH]c21 ZINC000351083512 382026192 /nfs/dbraw/zinc/02/61/92/382026192.db2.gz NXFYHHXILCKKNE-PSLIRLAXSA-N 0 1 279.303 2.723 20 30 CFEDMN C=CCOCCN(CCC)CC(=O)Nc1ccccc1C ZINC000293391556 382105270 /nfs/dbraw/zinc/10/52/70/382105270.db2.gz GYDITTJJFIPEPV-UHFFFAOYSA-N 0 1 290.407 2.848 20 30 CFEDMN CN(Cc1ccccc1C#N)C[C@H](O)Cc1ccccc1 ZINC000293414723 382114923 /nfs/dbraw/zinc/11/49/23/382114923.db2.gz SHTGREMQOIZMCC-GOSISDBHSA-N 0 1 280.371 2.594 20 30 CFEDMN C=CCN1CC[C@H](N2Cc3ccccc3C3(CCC3)C2)C1=O ZINC000375686632 382096682 /nfs/dbraw/zinc/09/66/82/382096682.db2.gz AOIRKIBFAXPUPA-KRWDZBQOSA-N 0 1 296.414 2.711 20 30 CFEDMN C=CCC[C@H](NC(=O)[C@@H]1C[C@@H]1c1nc[nH]n1)c1ccccc1 ZINC000376257378 382127613 /nfs/dbraw/zinc/12/76/13/382127613.db2.gz IULIPINURMOUNI-ZNMIVQPWSA-N 0 1 296.374 2.732 20 30 CFEDMN C[C@H](F)CCN1CCN(c2ccc(C#N)cc2F)CC1 ZINC000352124150 382183117 /nfs/dbraw/zinc/18/31/17/382183117.db2.gz WGUIPPIUDQGUHJ-LBPRGKRZSA-N 0 1 279.334 2.567 20 30 CFEDMN COC[C@H](NCc1ccc(Cl)cc1C#N)C1CC1 ZINC000187452861 382186162 /nfs/dbraw/zinc/18/61/62/382186162.db2.gz YGKMDEBMLGVWSE-AWEZNQCLSA-N 0 1 264.756 2.726 20 30 CFEDMN N#Cc1cc(CN[C@H](CO)c2ccsc2)ccc1F ZINC000352034266 382143554 /nfs/dbraw/zinc/14/35/54/382143554.db2.gz ZLKZHBFEONEFSQ-CQSZACIVSA-N 0 1 276.336 2.582 20 30 CFEDMN N#Cc1ccc(N[C@H]2CCCc3cn[nH]c32)cc1[N+](=O)[O-] ZINC000357439879 382172469 /nfs/dbraw/zinc/17/24/69/382172469.db2.gz OXDLHWRWZQPSBU-LBPRGKRZSA-N 0 1 283.291 2.679 20 30 CFEDMN C=C[C@H](C)NC(=O)NC[C@H](c1ccco1)N(CC)CC ZINC000362707331 382208137 /nfs/dbraw/zinc/20/81/37/382208137.db2.gz NKKWHFXDTNAGQE-QWHCGFSZSA-N 0 1 279.384 2.536 20 30 CFEDMN C=CCOCCN(C)Cc1ccc(Br)o1 ZINC000293600171 382190844 /nfs/dbraw/zinc/19/08/44/382190844.db2.gz VAUOMSSTBGWCPH-UHFFFAOYSA-N 0 1 274.158 2.677 20 30 CFEDMN CN(Cc1cc(C(C)(C)C)[nH]n1)c1cccnc1C#N ZINC000357656974 382268464 /nfs/dbraw/zinc/26/84/64/382268464.db2.gz DIMVNJXSICFTRJ-UHFFFAOYSA-N 0 1 269.352 2.610 20 30 CFEDMN CCC(CC)CN(CCC#N)C(=O)c1cccc2nn[nH]c21 ZINC000187789134 382269655 /nfs/dbraw/zinc/26/96/55/382269655.db2.gz HOAALTKFMQAIBI-UHFFFAOYSA-N 0 1 299.378 2.750 20 30 CFEDMN C=C(CC)CN[C@@H](C(=O)NC1CC1)c1ccccc1 ZINC000419289202 382274160 /nfs/dbraw/zinc/27/41/60/382274160.db2.gz XSTRDMGQCSTVCB-OAHLLOKOSA-N 0 1 258.365 2.562 20 30 CFEDMN CC(C)[C@@]1(CO)CCN(Cc2ccc(C#N)cc2F)C1 ZINC000377631736 382307695 /nfs/dbraw/zinc/30/76/95/382307695.db2.gz UHBMIDPRBZFOQZ-INIZCTEOSA-N 0 1 276.355 2.538 20 30 CFEDMN N#CC1(F)CCN(Cc2cc3ccccc3[nH]c2=O)CC1 ZINC000352458687 382344649 /nfs/dbraw/zinc/34/46/49/382344649.db2.gz NTIZHNFNJWLZGQ-UHFFFAOYSA-N 0 1 285.322 2.768 20 30 CFEDMN CC(C)(C)OC(=O)CCCCN1CCC(F)(C#N)CC1 ZINC000352484971 382359341 /nfs/dbraw/zinc/35/93/41/382359341.db2.gz VZYJMJFBYHUAKJ-UHFFFAOYSA-N 0 1 284.375 2.826 20 30 CFEDMN Cc1cccc(C[N@@H+]2CCCC[C@H]2C(=O)N(C)CCC#N)c1 ZINC000365355136 382381176 /nfs/dbraw/zinc/38/11/76/382381176.db2.gz KESUPQMSNTUFLO-KRWDZBQOSA-N 0 1 299.418 2.722 20 30 CFEDMN Cc1cccc(CN2CCCC[C@H]2C(=O)N(C)CCC#N)c1 ZINC000365355136 382381184 /nfs/dbraw/zinc/38/11/84/382381184.db2.gz KESUPQMSNTUFLO-KRWDZBQOSA-N 0 1 299.418 2.722 20 30 CFEDMN C=C[C@H](CO)N[C@H]1CCc2sc(Br)cc21 ZINC000294028580 382384747 /nfs/dbraw/zinc/38/47/47/382384747.db2.gz FKBORXZQYFOZSB-APPZFPTMSA-N 0 1 288.210 2.634 20 30 CFEDMN C=CCC[C@@H](O)CN1CCO[C@](C)(c2ccccc2)C1 ZINC000305095304 382422923 /nfs/dbraw/zinc/42/29/23/382422923.db2.gz RVHPEKBNNJTARD-SJORKVTESA-N 0 1 275.392 2.561 20 30 CFEDMN C=CCC[C@@H](O)CN[C@H](C)c1c(F)cccc1OC ZINC000305789892 382446297 /nfs/dbraw/zinc/44/62/97/382446297.db2.gz ZQVPUXKXQKWDLM-VXGBXAGGSA-N 0 1 267.344 2.812 20 30 CFEDMN C=C(Cl)CN(C)C1CCN(c2ccccn2)CC1 ZINC000365905395 382456493 /nfs/dbraw/zinc/45/64/93/382456493.db2.gz HNTGCSMZMONWRI-UHFFFAOYSA-N 0 1 265.788 2.735 20 30 CFEDMN C=CCCC[C@H](C)N1C[C@@H](CC)[S@@](=O)[C@@H](C)C1 ZINC000352892871 382481055 /nfs/dbraw/zinc/48/10/55/382481055.db2.gz KUPGVQKVUKKRAC-ZJOBFFGXSA-N 0 1 257.443 2.963 20 30 CFEDMN C=CC(C)(C)C(=O)N[C@@H]1CCCN(Cc2ccccc2)C1 ZINC000294303732 382501523 /nfs/dbraw/zinc/50/15/23/382501523.db2.gz CDWNMXMAKBOWQL-MRXNPFEDSA-N 0 1 286.419 2.979 20 30 CFEDMN CC(C)(C#N)c1ccccc1CN1CC[C@]12CCOC2 ZINC000421018637 382506989 /nfs/dbraw/zinc/50/69/89/382506989.db2.gz LFNBWQYIMLADQL-QGZVFWFLSA-N 0 1 270.376 2.853 20 30 CFEDMN C[C@H](NC(=O)c1cnccc1N(C)C)c1ccc(C#N)cc1 ZINC000353384000 382539968 /nfs/dbraw/zinc/53/99/68/382539968.db2.gz JVANACZEDXPCDK-LBPRGKRZSA-N 0 1 294.358 2.510 20 30 CFEDMN CO[C@H]1C[N@@H+](Cc2cn3ccccc3c2C#N)CC[C@H]1C ZINC000189261495 382575997 /nfs/dbraw/zinc/57/59/97/382575997.db2.gz WDLNHZWOMFUGPV-DYVFJYSZSA-N 0 1 283.375 2.668 20 30 CFEDMN CO[C@H]1CN(Cc2cn3ccccc3c2C#N)CC[C@H]1C ZINC000189261495 382576000 /nfs/dbraw/zinc/57/60/00/382576000.db2.gz WDLNHZWOMFUGPV-DYVFJYSZSA-N 0 1 283.375 2.668 20 30 CFEDMN CC(C)c1nc2c([nH]1)CC[C@H](C(=O)Nc1cn[nH]c1)C2 ZINC000328618521 382554811 /nfs/dbraw/zinc/55/48/11/382554811.db2.gz DUQQZNCBUOQMSQ-VIFPVBQESA-N 0 1 273.340 2.649 20 30 CFEDMN C=C[C@H](CO)N[C@@H]1CC2(CCC2)Oc2ccccc21 ZINC000353565839 382561556 /nfs/dbraw/zinc/56/15/56/382561556.db2.gz KTJPEHGBFCUQOF-TZMCWYRMSA-N 0 1 259.349 2.569 20 30 CFEDMN COc1cc(CN[C@H]2CCc3ccc(C#N)cc32)ccn1 ZINC000353253243 382531394 /nfs/dbraw/zinc/53/13/94/382531394.db2.gz KXRZWRRUEPIJJB-INIZCTEOSA-N 0 1 279.343 2.739 20 30 CFEDMN C=CC[C@@H](CO)NCc1ccsc1Br ZINC000320221656 382535728 /nfs/dbraw/zinc/53/57/28/382535728.db2.gz HBCBMGBYGFETHQ-VIFPVBQESA-N 0 1 276.199 2.537 20 30 CFEDMN CCn1cc([C@H](C)NCC#Cc2ccccc2)cn1 ZINC000295276664 382605596 /nfs/dbraw/zinc/60/55/96/382605596.db2.gz BBSCUGZEPGWAJN-AWEZNQCLSA-N 0 1 253.349 2.605 20 30 CFEDMN CC1(C)C[C@H](O)CCN(Cc2ccc(F)c(C#N)c2)C1 ZINC000295279170 382606257 /nfs/dbraw/zinc/60/62/57/382606257.db2.gz FPTJJDZBCPUQGG-CQSZACIVSA-N 0 1 276.355 2.680 20 30 CFEDMN Cn1cc(CNCc2ccccc2OC(F)F)cc1C#N ZINC000189578608 382626583 /nfs/dbraw/zinc/62/65/83/382626583.db2.gz SJDZGIJUKHQCHW-UHFFFAOYSA-N 0 1 291.301 2.788 20 30 CFEDMN CCN(Cc1cnn(C)c1)[C@@H](C)c1cccc(C#N)c1 ZINC000189834157 382642265 /nfs/dbraw/zinc/64/22/65/382642265.db2.gz BENRGCNXLAYGTL-ZDUSSCGKSA-N 0 1 268.364 2.875 20 30 CFEDMN C[C@H]1CSCCN(Cc2ccc(F)c(C#N)c2)C1 ZINC000190461304 382669461 /nfs/dbraw/zinc/66/94/61/382669461.db2.gz DFAVFYYVBAKUKH-LLVKDONJSA-N 0 1 264.369 2.882 20 30 CFEDMN Cn1cc(CN[C@H]2CCCOc3ccccc32)cc1C#N ZINC000190916039 382684858 /nfs/dbraw/zinc/68/48/58/382684858.db2.gz GOZAILXTBOAGJV-INIZCTEOSA-N 0 1 281.359 2.900 20 30 CFEDMN C[C@H](C#N)CN[C@@H]1CC[C@@H](C)N(C(=O)OC(C)(C)C)C1 ZINC000398984261 382636730 /nfs/dbraw/zinc/63/67/30/382636730.db2.gz AACKQECGVSHMQE-JHJVBQTASA-N 0 1 281.400 2.524 20 30 CFEDMN C=CCN(CCOC)CCC(=O)c1ccc(F)cc1 ZINC000191149844 382693048 /nfs/dbraw/zinc/69/30/48/382693048.db2.gz RIJZKXGJZOUZFF-UHFFFAOYSA-N 0 1 265.328 2.533 20 30 CFEDMN Cn1cc(CN2CCC(C(F)(F)F)CC2)cc1C#N ZINC000191213756 382695888 /nfs/dbraw/zinc/69/58/88/382695888.db2.gz PMAZLVWVMYCEBP-UHFFFAOYSA-N 0 1 271.286 2.671 20 30 CFEDMN C=CC[N@H+](CCOC)Cc1c[nH]nc1-c1ccccc1F ZINC000191759362 382702354 /nfs/dbraw/zinc/70/23/54/382702354.db2.gz DAFJMWRIMNFPLW-UHFFFAOYSA-N 0 1 289.354 2.850 20 30 CFEDMN C=CCN(CCOC)Cc1c[nH]nc1-c1ccccc1F ZINC000191759362 382702355 /nfs/dbraw/zinc/70/23/55/382702355.db2.gz DAFJMWRIMNFPLW-UHFFFAOYSA-N 0 1 289.354 2.850 20 30 CFEDMN C=CCC1(C(=O)NCCCc2cn[nH]c2C)CCC1 ZINC000192243263 382705868 /nfs/dbraw/zinc/70/58/68/382705868.db2.gz UQMPVCDGOWVYGA-UHFFFAOYSA-N 0 1 261.369 2.513 20 30 CFEDMN C=CCNC(=O)[C@@H](C)SCC[N@@H+](C)Cc1ccccc1 ZINC000193637537 382721856 /nfs/dbraw/zinc/72/18/56/382721856.db2.gz HZJUXRRCHHCOAP-CQSZACIVSA-N 0 1 292.448 2.542 20 30 CFEDMN C[C@@H](N[C@@H](C)c1cccnc1)C(=O)Nc1cccc(C#N)c1 ZINC000194721620 382753235 /nfs/dbraw/zinc/75/32/35/382753235.db2.gz QVTNJZOFEDMNHA-QWHCGFSZSA-N 0 1 294.358 2.631 20 30 CFEDMN C[C@H]1CCN(CC(=O)Nc2cccc(C#N)c2)[C@@H](C)C1 ZINC000225719904 382820652 /nfs/dbraw/zinc/82/06/52/382820652.db2.gz XDZCCTCQXKFYML-STQMWFEESA-N 0 1 271.364 2.617 20 30 CFEDMN CC#CCCN(C)CC(=O)N(C)[C@@H](C)c1ccccc1 ZINC000337449845 382823127 /nfs/dbraw/zinc/82/31/27/382823127.db2.gz NBTPLRPSOPBEFK-HNNXBMFYSA-N 0 1 272.392 2.551 20 30 CFEDMN C[C@H](C#N)CN(C)C[C@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC000494347382 382912583 /nfs/dbraw/zinc/91/25/83/382912583.db2.gz DGVQUQLILPWTPG-ZIAGYGMSSA-N 0 1 295.427 2.725 20 30 CFEDMN COC(=O)c1cccc(CN2C[C@H](C)[C@@H](C)[C@H]2C)c1C#N ZINC000577833478 382872059 /nfs/dbraw/zinc/87/20/59/382872059.db2.gz SAGVGNCORHGLSF-YNEHKIRRSA-N 0 1 286.375 2.821 20 30 CFEDMN COc1cc(CNCc2ncccc2C)ccc1C#N ZINC000234933141 382875732 /nfs/dbraw/zinc/87/57/32/382875732.db2.gz BMQUXCXEEWYDHU-UHFFFAOYSA-N 0 1 267.332 2.560 20 30 CFEDMN COc1cc(CNCc2ccc(C)nc2)ccc1C#N ZINC000234926627 382875893 /nfs/dbraw/zinc/87/58/93/382875893.db2.gz HBGSIHWDVHAQRH-UHFFFAOYSA-N 0 1 267.332 2.560 20 30 CFEDMN COC(=O)c1cccc(CN2CC[C@H](C(C)C)C2)c1C#N ZINC000533763077 382910409 /nfs/dbraw/zinc/91/04/09/382910409.db2.gz WSTCGFFAHRKFDG-ZDUSSCGKSA-N 0 1 286.375 2.823 20 30 CFEDMN COC(=O)CC1(CN(CCC#N)CCC(C)C)CC1 ZINC000440773229 382880071 /nfs/dbraw/zinc/88/00/71/382880071.db2.gz FAFJKFLNTQXANT-UHFFFAOYSA-N 0 1 266.385 2.591 20 30 CFEDMN C=CCCCCCNC(=O)NCCN1CC=C(C)CC1 ZINC000578904237 382964615 /nfs/dbraw/zinc/96/46/15/382964615.db2.gz JGJMJUHBGUJHQB-UHFFFAOYSA-N 0 1 279.428 2.684 20 30 CFEDMN C=CCCCCCNC(=O)[C@H](N)c1ccccc1C ZINC000578337900 382913159 /nfs/dbraw/zinc/91/31/59/382913159.db2.gz VKUTTXNQXAKAPS-OAHLLOKOSA-N 0 1 260.381 2.857 20 30 CFEDMN CCN(Cc1nnc(-c2ccc(C#N)cc2)o1)C1CCC1 ZINC000441384948 382913603 /nfs/dbraw/zinc/91/36/03/382913603.db2.gz NZWUFZIXVLAFGK-UHFFFAOYSA-N 0 1 282.347 2.983 20 30 CFEDMN CC(C)[C@](C)(CNC(=O)OC(C)(C)C)NCC1(C#N)CC1 ZINC000494502027 382913624 /nfs/dbraw/zinc/91/36/24/382913624.db2.gz CJAHSDXHAGSMCY-HNNXBMFYSA-N 0 1 295.427 2.819 20 30 CFEDMN C[C@@H]1C[C@@H](C)N(Cc2nnc(-c3cccc(C#N)c3)o2)C1 ZINC000441427734 382914098 /nfs/dbraw/zinc/91/40/98/382914098.db2.gz HUWHUHXORHDCKB-VXGBXAGGSA-N 0 1 282.347 2.839 20 30 CFEDMN C[C@@H]1C[C@H](CNC(=O)OC(C)(C)C)CN1CC1(C#N)CC1 ZINC000494714284 382922581 /nfs/dbraw/zinc/92/25/81/382922581.db2.gz ZCICHRDCNQMYRW-CHWSQXEVSA-N 0 1 293.411 2.525 20 30 CFEDMN CC[C@@H](CC#N)NC[C@H](O)COc1ccccc1C(C)C ZINC000578519706 382928030 /nfs/dbraw/zinc/92/80/30/382928030.db2.gz FBDVSKYSVQFONS-GJZGRUSLSA-N 0 1 290.407 2.832 20 30 CFEDMN COC(=O)c1cccc(CN2CCC[C@H](C)CC2)c1C#N ZINC000534487815 382931606 /nfs/dbraw/zinc/93/16/06/382931606.db2.gz IFBUYTSHBFRVQN-ZDUSSCGKSA-N 0 1 286.375 2.967 20 30 CFEDMN COC(=O)c1cccc(CN(C)CCC2CC2)c1C#N ZINC000534472638 382931622 /nfs/dbraw/zinc/93/16/22/382931622.db2.gz NUSPJVVYKWCMMI-UHFFFAOYSA-N 0 1 272.348 2.577 20 30 CFEDMN N#Cc1c(F)cccc1C(=O)Nc1ccc2nc[nH]c2c1 ZINC000494819543 382932207 /nfs/dbraw/zinc/93/22/07/382932207.db2.gz BHARKHCOBZVQLH-UHFFFAOYSA-N 0 1 280.262 2.826 20 30 CFEDMN C=C(C)CN(C)CC(=O)N1CCC[C@H]2CCCC[C@H]21 ZINC000245564988 383009044 /nfs/dbraw/zinc/00/90/44/383009044.db2.gz ZHRRWFPZFIQXAR-HUUCEWRRSA-N 0 1 264.413 2.676 20 30 CFEDMN Cc1nn(-c2ccncc2)cc1CN(CCC#N)C(C)C ZINC000542465081 382968490 /nfs/dbraw/zinc/96/84/90/382968490.db2.gz SBXWUAKMEHGNAH-UHFFFAOYSA-N 0 1 283.379 2.700 20 30 CFEDMN CCN(C)[C@H](C(=O)N1CCC(CC#N)CC1)c1ccccc1 ZINC000542909397 382970175 /nfs/dbraw/zinc/97/01/75/382970175.db2.gz UVRLYYNHZVDQPL-KRWDZBQOSA-N 0 1 299.418 2.832 20 30 CFEDMN C[C@@H](C#N)CN[C@@H](C)[C@@H]1CCCCN1C(=O)OC(C)(C)C ZINC000495915203 383042625 /nfs/dbraw/zinc/04/26/25/383042625.db2.gz WUOXWWDYXPRMLE-IHRRRGAJSA-N 0 1 295.427 2.914 20 30 CFEDMN C[C@@H]1CCSCCN1Cc1ccc(C#N)cc1[N+](=O)[O-] ZINC000579719579 383046607 /nfs/dbraw/zinc/04/66/07/383046607.db2.gz VZDKFTYRVJXQQL-LLVKDONJSA-N 0 1 291.376 2.794 20 30 CFEDMN C[C@H]([C@H]1Cc2ccccc2O1)N(C)Cc1ccc(C#N)cn1 ZINC000579727681 383048236 /nfs/dbraw/zinc/04/82/36/383048236.db2.gz UKDMZTZGZWORLC-FZKQIMNGSA-N 0 1 293.370 2.777 20 30 CFEDMN C[C@@H]1CN(c2ccc(C(F)(F)F)c(C#N)n2)C[C@@H](C)N1C ZINC000338786708 383051170 /nfs/dbraw/zinc/05/11/70/383051170.db2.gz PGSUPAMOBOARSO-NXEZZACHSA-N 0 1 298.312 2.501 20 30 CFEDMN C=CCC[C@H](O)CN1C[C@@H](c2ccccc2)OC[C@H]1C ZINC000245998131 383057888 /nfs/dbraw/zinc/05/78/88/383057888.db2.gz HYNDGVIPHCRRBO-PVAVHDDUSA-N 0 1 275.392 2.776 20 30 CFEDMN C[C@H](CC#N)N(C)CC[C@@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC000496921324 383127355 /nfs/dbraw/zinc/12/73/55/383127355.db2.gz ODSKNXPMJCHQEX-ZIAGYGMSSA-N 0 1 295.427 2.867 20 30 CFEDMN C=CCC[C@H](O)C[N@@H+](Cc1ccccc1)C[C@@H](C)C(=O)[O-] ZINC000565106753 383175461 /nfs/dbraw/zinc/17/54/61/383175461.db2.gz LVUCZTCEUFOATL-ZBFHGGJFSA-N 0 1 291.391 2.536 20 30 CFEDMN Cc1ccc(CNC[C@H](C)C#N)c(-c2ccnn2C)c1 ZINC000565491343 383179475 /nfs/dbraw/zinc/17/94/75/383179475.db2.gz BPNFZPKXQJECQO-CYBMUJFWSA-N 0 1 268.364 2.645 20 30 CFEDMN Cc1ccc(CNC[C@@H](C)C#N)c(-c2cnn(C)c2)c1 ZINC000555321294 383148039 /nfs/dbraw/zinc/14/80/39/383148039.db2.gz XCQBDVJJUXLCRB-ZDUSSCGKSA-N 0 1 268.364 2.645 20 30 CFEDMN C=CC[C@@H](C(=O)N1CCN(C)C(C)(C)C1)c1ccccc1 ZINC000514948875 383156681 /nfs/dbraw/zinc/15/66/81/383156681.db2.gz BIFHUVMEYRKQFY-MRXNPFEDSA-N 0 1 286.419 2.899 20 30 CFEDMN C=CCCCCN(C)Cc1ccc(S(C)(=O)=O)cc1 ZINC000516147548 383162632 /nfs/dbraw/zinc/16/26/32/383162632.db2.gz BMZKGIMUWOQWQN-UHFFFAOYSA-N 0 1 281.421 2.878 20 30 CFEDMN C=CCN(C[C@@H]1CCC[C@H](CC)C1)[C@H]1CCS(=O)(=O)C1 ZINC000248494156 383250213 /nfs/dbraw/zinc/25/02/13/383250213.db2.gz PREOOYHDAYRFOL-XHSDSOJGSA-N 0 1 299.480 2.878 20 30 CFEDMN C=C(C)C(C)(C)C(=O)N1CCN(CCOC)[C@H](CCC)C1 ZINC000424753791 383251805 /nfs/dbraw/zinc/25/18/05/383251805.db2.gz ZGOIYXPPFGNAEN-OAHLLOKOSA-N 0 1 296.455 2.548 20 30 CFEDMN C=C(C)C[C@@H](C)C(=O)N1CCN(CCOC)[C@@H](CCC)C1 ZINC000248620886 383273591 /nfs/dbraw/zinc/27/35/91/383273591.db2.gz LKFPVCOGZZEMSX-CVEARBPZSA-N 0 1 296.455 2.548 20 30 CFEDMN Cc1nc([C@H](N[C@H]2CCC[C@@H](C#N)C2)c2ccccc2)n[nH]1 ZINC000248744210 383287516 /nfs/dbraw/zinc/28/75/16/383287516.db2.gz APEXIBPAGHWFLQ-VNQPRFMTSA-N 0 1 295.390 2.875 20 30 CFEDMN CCN(CC)[C@H](C(=O)N[C@@H]1CC[C@H](C#N)C1)c1ccccc1 ZINC000424978154 383302230 /nfs/dbraw/zinc/30/22/30/383302230.db2.gz OIUKPSJHPJDQSG-UAGQMJEPSA-N 0 1 299.418 2.878 20 30 CFEDMN COC(=O)[C@@H]1[C@H]2CCC[C@@H]2CN1Cc1ccc(C#N)cc1C ZINC000248889296 383304142 /nfs/dbraw/zinc/30/41/42/383304142.db2.gz YJAOHRPLQAUTMX-IKGGRYGDSA-N 0 1 298.386 2.640 20 30 CFEDMN N#Cc1cccc(-c2nnc(CN3C4CCC3CC4)o2)c1 ZINC000525276046 383400763 /nfs/dbraw/zinc/40/07/63/383400763.db2.gz YNQMUTOSNOUFNG-UHFFFAOYSA-N 0 1 280.331 2.735 20 30 CFEDMN CCO[C@@H]1C[C@H](N(C)CC2(C#N)CCC2)C1(C)C ZINC000450431066 383408049 /nfs/dbraw/zinc/40/80/49/383408049.db2.gz XKNPICJNYDRVNV-QWHCGFSZSA-N 0 1 250.386 2.816 20 30 CFEDMN C=C[C@@H]1OCCC[C@H]1NCc1csc(CC)n1 ZINC000449548045 383354338 /nfs/dbraw/zinc/35/43/38/383354338.db2.gz KZZUORCRFIKLRM-NEPJUHHUSA-N 0 1 252.383 2.529 20 30 CFEDMN CC(C)CCN(CCC#N)Cc1n[nH]c(C(C)C)n1 ZINC000428244652 383435245 /nfs/dbraw/zinc/43/52/45/383435245.db2.gz LGRRDECRNUEBJK-UHFFFAOYSA-N 0 1 263.389 2.690 20 30 CFEDMN C=CCN(C[C@@H](C)C1CCCCC1)[C@H]1CCS(=O)(=O)C1 ZINC000569142202 383472527 /nfs/dbraw/zinc/47/25/27/383472527.db2.gz GBGLNRWHLGGMAI-ZBFHGGJFSA-N 0 1 299.480 2.878 20 30 CFEDMN Cc1c(Cl)cnc(N2CCN(C)[C@H](C(C)C)C2)c1C#N ZINC000487072547 383477141 /nfs/dbraw/zinc/47/71/41/383477141.db2.gz CRTRTKCJAZZMLC-AWEZNQCLSA-N 0 1 292.814 2.692 20 30 CFEDMN C[C@@H](NCC1(C#N)CCC1)c1ccc(-n2cncn2)cc1 ZINC000450664097 383480448 /nfs/dbraw/zinc/48/04/48/383480448.db2.gz UJALCYOCTICUCX-CYBMUJFWSA-N 0 1 281.363 2.612 20 30 CFEDMN CC[C@H](C(=O)N[C@]1(C#N)CC1(C)C)N(C)Cc1ccccc1 ZINC000427897471 383417796 /nfs/dbraw/zinc/41/77/96/383417796.db2.gz RIBBIWNXBHHJRK-QAPCUYQASA-N 0 1 299.418 2.705 20 30 CFEDMN N#Cc1cccnc1Sc1nc(-c2ccccc2)n[nH]1 ZINC000340603148 383485135 /nfs/dbraw/zinc/48/51/35/383485135.db2.gz SOXPCPNPUFQPIZ-UHFFFAOYSA-N 0 1 279.328 2.890 20 30 CFEDMN Cc1cc(CN[C@H](CO)c2ccsc2)ccc1C#N ZINC000488003328 383486532 /nfs/dbraw/zinc/48/65/32/383486532.db2.gz RLYVTTHKQPWSNN-OAHLLOKOSA-N 0 1 272.373 2.751 20 30 CFEDMN N#Cc1ccsc1NC(=O)c1ccc2cncn2c1 ZINC000340721887 383492614 /nfs/dbraw/zinc/49/26/14/383492614.db2.gz QKYCDLMUPFAUPW-UHFFFAOYSA-N 0 1 268.301 2.520 20 30 CFEDMN CC(C)OCCCN(C)Cc1cccc(C#N)c1F ZINC000340874796 383497481 /nfs/dbraw/zinc/49/74/81/383497481.db2.gz PVDBQXBSRBUTLC-UHFFFAOYSA-N 0 1 264.344 2.944 20 30 CFEDMN Cc1cc(CN2CCc3ccccc3[C@@H]2CO)ccc1C#N ZINC000488129106 383498857 /nfs/dbraw/zinc/49/88/57/383498857.db2.gz MZCOAKBJAKNFHX-IBGZPJMESA-N 0 1 292.382 2.958 20 30 CFEDMN C=CCN(Cc1cccs1)C(=O)[C@@H]1CCCCN1C ZINC000635185939 383502045 /nfs/dbraw/zinc/50/20/45/383502045.db2.gz VVGVDMVSDJTIHE-AWEZNQCLSA-N 0 1 278.421 2.747 20 30 CFEDMN Cc1cc(CN[C@@H](CO)c2cccc(F)c2)ccc1C#N ZINC000488251797 383508308 /nfs/dbraw/zinc/50/83/08/383508308.db2.gz RKFWHBBWEYPIRZ-KRWDZBQOSA-N 0 1 284.334 2.829 20 30 CFEDMN Cc1cccnc1C(=O)C(C#N)c1nc2ccccc2[nH]1 ZINC000429329616 383520530 /nfs/dbraw/zinc/52/05/30/383520530.db2.gz AYOKYSOWSGYHIS-LLVKDONJSA-N 0 1 276.299 2.756 20 30 CFEDMN C=CCN(CCc1ccccn1)Cc1cccnc1 ZINC000430317660 383592265 /nfs/dbraw/zinc/59/22/65/383592265.db2.gz HBVMRAKMSRISEV-UHFFFAOYSA-N 0 1 253.349 2.707 20 30 CFEDMN N#CC(C(=O)Nc1ccccc1)C(=O)[C@@H]1CCCC12CC2 ZINC000528917475 383676106 /nfs/dbraw/zinc/67/61/06/383676106.db2.gz GGPLZSUWNIKMOZ-KBPBESRZSA-N 0 1 282.343 2.914 20 30 CFEDMN C[C@H]1[C@@H](C2CC2)[C@H]1C(=O)C(C#N)C(=O)Nc1ccccc1 ZINC000528915154 383676145 /nfs/dbraw/zinc/67/61/45/383676145.db2.gz AKWIVHHUWXOIBP-HJPIBITLSA-N 0 1 282.343 2.626 20 30 CFEDMN N#CC(C(=O)NCc1ccccc1)C(=O)[C@@H]1CCCC12CC2 ZINC000528917396 383676415 /nfs/dbraw/zinc/67/64/15/383676415.db2.gz GWXCVSDYYAOZCH-GJZGRUSLSA-N 0 1 296.370 2.592 20 30 CFEDMN C=CC[C@H]1CCN(C(=O)CN(C)CCc2ccccc2)C1 ZINC000636251554 383751623 /nfs/dbraw/zinc/75/16/23/383751623.db2.gz IHWMZULJZRPVDT-KRWDZBQOSA-N 0 1 286.419 2.586 20 30 CFEDMN CC(C)[C@H]1CN(C(=O)[C@@H](C)C#N)CCN1Cc1ccccc1 ZINC000529802255 383755201 /nfs/dbraw/zinc/75/52/01/383755201.db2.gz GALWMBCDPYGQKI-DOTOQJQBSA-N 0 1 299.418 2.515 20 30 CFEDMN CC[C@H]1CO[C@H](C)CN1Cc1ccc(OCC#N)cc1 ZINC000264584702 383758481 /nfs/dbraw/zinc/75/84/81/383758481.db2.gz WZGMALWYDAGQRV-HIFRSBDPSA-N 0 1 274.364 2.588 20 30 CFEDMN C#CCCCC(=O)N1CCN(Cc2ccccc2)[C@H](CC)C1 ZINC000192173913 533008056 /nfs/dbraw/zinc/00/80/56/533008056.db2.gz DRYUMSYBJZKFLW-GOSISDBHSA-N 0 1 298.430 2.913 20 30 CFEDMN CC[C@H](NCc1ccnc(OC)n1)c1ccc(C#N)cc1 ZINC000453251891 383816800 /nfs/dbraw/zinc/81/68/00/383816800.db2.gz FTVYDLPWESRGDL-HNNXBMFYSA-N 0 1 282.347 2.598 20 30 CFEDMN CC(C)C[C@H]1COCCN1Cc1ccc(OCC#N)cc1 ZINC000265030880 383819766 /nfs/dbraw/zinc/81/97/66/383819766.db2.gz IHLKQHPNVQRNCE-INIZCTEOSA-N 0 1 288.391 2.836 20 30 CFEDMN CC#CCN[C@@H](CCO)c1cccc(OC(F)(F)F)c1 ZINC000646017530 383821519 /nfs/dbraw/zinc/82/15/19/383821519.db2.gz YBDUVRCOGCOHIA-ZDUSSCGKSA-N 0 1 287.281 2.622 20 30 CFEDMN CCC(=O)c1ccc(O)c(NC(=O)CCCC#N)c1 ZINC000436651301 383863886 /nfs/dbraw/zinc/86/38/86/383863886.db2.gz DPHNEHBOGBNECB-UHFFFAOYSA-N 0 1 260.293 2.617 20 30 CFEDMN C=CCN(CC=C)C(=O)[C@@H](C)N1CC[C@@H]1Cc1ccccc1 ZINC000437828386 383911566 /nfs/dbraw/zinc/91/15/66/383911566.db2.gz LMHUAYGJBJKOEY-SJLPKXTDSA-N 0 1 298.430 2.893 20 30 CFEDMN C=CCCCn1cc([C@@H](N)c2ccc(Cl)cc2)nn1 ZINC000640936476 383956041 /nfs/dbraw/zinc/95/60/41/383956041.db2.gz YXOQXDRYCBHRPG-AWEZNQCLSA-N 0 1 276.771 2.946 20 30 CFEDMN C=CCCCCn1cc([C@@H](N)c2ccccc2)nn1 ZINC000640939376 383958260 /nfs/dbraw/zinc/95/82/60/383958260.db2.gz ODLOYEJMVRXNOV-HNNXBMFYSA-N 0 1 256.353 2.683 20 30 CFEDMN C=CCCCCn1cc([C@H](N)c2ccc(F)cc2)nn1 ZINC000640939384 383958905 /nfs/dbraw/zinc/95/89/05/383958905.db2.gz OLIIAKGZSBBGLL-OAHLLOKOSA-N 0 1 274.343 2.822 20 30 CFEDMN C=CCCN(C)CC(=O)Nc1ccc(Cl)cc1 ZINC000265829898 384011851 /nfs/dbraw/zinc/01/18/51/384011851.db2.gz PQHOJYKYPXFTBM-UHFFFAOYSA-N 0 1 252.745 2.786 20 30 CFEDMN C=CCN1C(=O)N=NC1SCc1cc(C)ccc1OC ZINC000532360682 384015442 /nfs/dbraw/zinc/01/54/42/384015442.db2.gz XXJWHDJJBPFZCC-UHFFFAOYSA-N 0 1 291.376 2.779 20 30 CFEDMN C#CCCCC(=O)Nc1nc(-c2ccc(C)cc2)n[nH]1 ZINC000192098222 533026685 /nfs/dbraw/zinc/02/66/85/533026685.db2.gz KUMHHWWEZWZLMH-UHFFFAOYSA-N 0 1 268.320 2.522 20 30 CFEDMN CC(C)C1CCC(N2CCN(C(=O)[C@@H](C)C#N)CC2)CC1 ZINC000440000012 384054808 /nfs/dbraw/zinc/05/48/08/384054808.db2.gz YHALDGRHMPZFLL-FHERZECASA-N 0 1 291.439 2.505 20 30 CFEDMN CC#CCN1CC=C(c2c[nH]c3ncccc23)CC1 ZINC000266021605 384056409 /nfs/dbraw/zinc/05/64/09/384056409.db2.gz PUNSRLOALQYBMD-UHFFFAOYSA-N 0 1 251.333 2.675 20 30 CFEDMN C=CCN1CC[C@H](N(C)Cc2c(C)cccc2C)C1=O ZINC000281117674 195111992 /nfs/dbraw/zinc/11/19/92/195111992.db2.gz BVIAUWZIWMXYIN-INIZCTEOSA-N 0 1 272.392 2.522 20 30 CFEDMN CC[C@H]1CN(Cc2ccc(C#N)cc2F)CCCO1 ZINC000281126181 195114064 /nfs/dbraw/zinc/11/40/64/195114064.db2.gz CNPHSEPGOZIVEB-AWEZNQCLSA-N 0 1 262.328 2.698 20 30 CFEDMN C=C(Cl)CNCc1ccc(N(C)CCC#N)cc1 ZINC000267040576 384285971 /nfs/dbraw/zinc/28/59/71/384285971.db2.gz MXSPYJRCQPQYLP-UHFFFAOYSA-N 0 1 263.772 2.879 20 30 CFEDMN C[C@H](NCC(=O)N(C)C1CCCCC1)c1ccc(C#N)cc1 ZINC000267046731 384287778 /nfs/dbraw/zinc/28/77/78/384287778.db2.gz DOGKQFMEZSAVSI-AWEZNQCLSA-N 0 1 299.418 3.000 20 30 CFEDMN COc1ccc(OC)c(CNCc2ccc(C#N)s2)c1 ZINC000267206604 384323989 /nfs/dbraw/zinc/32/39/89/384323989.db2.gz POCAKRIOOVIWOQ-UHFFFAOYSA-N 0 1 288.372 2.927 20 30 CFEDMN CC#CC[C@H](CO)NCc1cc(Cl)ccc1Cl ZINC000641767998 384334244 /nfs/dbraw/zinc/33/42/44/384334244.db2.gz TXCOURSUDZQAOH-GFCCVEGCSA-N 0 1 272.175 2.857 20 30 CFEDMN Cc1cnc(N2CCN(CCCC(C)(C)C#N)CC2)s1 ZINC000267440887 384392231 /nfs/dbraw/zinc/39/22/31/384392231.db2.gz OZPRVNVQBBERPQ-UHFFFAOYSA-N 0 1 292.452 2.904 20 30 CFEDMN C#CCN1CCC(c2nc(-c3cc(C)ccc3F)no2)CC1 ZINC000277904072 384436387 /nfs/dbraw/zinc/43/63/87/384436387.db2.gz DTDKATJTXQSBIN-UHFFFAOYSA-N 0 1 299.349 2.997 20 30 CFEDMN C=CCN1CC[C@H](N(CC)[C@@H](C)c2cccc(O)c2)C1=O ZINC000281138641 195119690 /nfs/dbraw/zinc/11/96/90/195119690.db2.gz AJHPKYPOFLDZOA-BBRMVZONSA-N 0 1 288.391 2.562 20 30 CFEDMN C=CCOc1ccccc1C[N@@H+]1CC[C@H](C)[C@H](C(=O)[O-])C1 ZINC000574810472 335049215 /nfs/dbraw/zinc/04/92/15/335049215.db2.gz HMWKBBZKMAHLOK-DZGCQCFKSA-N 0 1 289.375 2.794 20 30 CFEDMN N#CCc1ccc(NC(=O)N[C@H]2CCCc3cn[nH]c32)cc1 ZINC000268889500 384686659 /nfs/dbraw/zinc/68/66/59/384686659.db2.gz JGHIHEIIOYMGOL-AWEZNQCLSA-N 0 1 295.346 2.675 20 30 CFEDMN CC1(C)CN(CC#Cc2ccc(C(F)(F)F)cc2)C[C@@H]1O ZINC000279844077 384783573 /nfs/dbraw/zinc/78/35/73/384783573.db2.gz RRPHJJUXTJMUHQ-AWEZNQCLSA-N 0 1 297.320 2.760 20 30 CFEDMN C=CC[C@@H](C(=O)NCCN1CC=CCC1)c1ccccc1 ZINC000279922700 384813506 /nfs/dbraw/zinc/81/35/06/384813506.db2.gz GHERYYUSWPIVJQ-QGZVFWFLSA-N 0 1 284.403 2.724 20 30 CFEDMN C=CCOCCN[C@@H](C)c1ccc(Br)cn1 ZINC000280154051 384905472 /nfs/dbraw/zinc/90/54/72/384905472.db2.gz QIRSBGQYSRZFCP-JTQLQIEISA-N 0 1 285.185 2.697 20 30 CFEDMN CCCCCCCCNC(=O)Cc1cc(C)n[nH]1 ZINC000269940776 384913373 /nfs/dbraw/zinc/91/33/73/384913373.db2.gz KDOTUCYJMYSQJC-UHFFFAOYSA-N 0 1 251.374 2.737 20 30 CFEDMN CCC#C[C@H](C)N[C@H](CO)c1ccc(Br)cc1 ZINC000644714257 385014875 /nfs/dbraw/zinc/01/48/75/385014875.db2.gz SCZDAJIVFHEANY-SMDDNHRTSA-N 0 1 296.208 2.874 20 30 CFEDMN C#CC[C@H](NCc1cnn(CC)c1)c1ccccc1 ZINC000270241289 385026704 /nfs/dbraw/zinc/02/67/04/385026704.db2.gz SCRPIDFNAAXMGH-INIZCTEOSA-N 0 1 253.349 2.757 20 30 CFEDMN C=C(CNCc1cnc([C@H](C)O)s1)c1ccccc1 ZINC000289241766 197272563 /nfs/dbraw/zinc/27/25/63/197272563.db2.gz LETQDYJJFOBTRQ-LBPRGKRZSA-N 0 1 274.389 2.999 20 30 CFEDMN C=CCN1CC[C@H](N(C)[C@H]2CCc3ccc(F)cc32)C1=O ZINC000281256688 385187479 /nfs/dbraw/zinc/18/74/79/385187479.db2.gz HETDLGUCFHNQGJ-HOTGVXAUSA-N 0 1 288.366 2.532 20 30 CFEDMN C=CCN1CC[C@H](N(C)Cc2ccc(C)cc2C)C1=O ZINC000281260855 385189277 /nfs/dbraw/zinc/18/92/77/385189277.db2.gz NCTMAQMIZVZSPK-INIZCTEOSA-N 0 1 272.392 2.522 20 30 CFEDMN C=C(C)CC[N@@H+](CCNC(C)=O)Cc1ccsc1 ZINC000282429556 385308088 /nfs/dbraw/zinc/30/80/88/385308088.db2.gz HIEAJOQNUSIXSR-UHFFFAOYSA-N 0 1 266.410 2.652 20 30 CFEDMN C#CCCCN1CCN(C(=O)Nc2cccc(C)c2)CC1 ZINC000271042632 385315235 /nfs/dbraw/zinc/31/52/35/385315235.db2.gz NFFACIQIZXBHJA-UHFFFAOYSA-N 0 1 285.391 2.558 20 30 CFEDMN C=C(C)CN(Cc1ccc(CO)o1)C[C@@H](CCC)OC ZINC000639162974 385266064 /nfs/dbraw/zinc/26/60/64/385266064.db2.gz VPMHLPIXZRMZIU-CQSZACIVSA-N 0 1 281.396 2.965 20 30 CFEDMN C#CCCCN1CCN(c2cccc(F)c2F)CC1 ZINC000271076696 385328873 /nfs/dbraw/zinc/32/88/73/385328873.db2.gz XANKBIQDWLMFED-UHFFFAOYSA-N 0 1 264.319 2.500 20 30 CFEDMN C#CC[N@H+](CC)Cc1ccc(OC)c(OC(F)F)c1 ZINC000271124055 385342691 /nfs/dbraw/zinc/34/26/91/385342691.db2.gz GFSSGFWPVYLNIL-UHFFFAOYSA-N 0 1 269.291 2.752 20 30 CFEDMN C#CCN(CC)Cc1ccc(OC)c(OC(F)F)c1 ZINC000271124055 385342696 /nfs/dbraw/zinc/34/26/96/385342696.db2.gz GFSSGFWPVYLNIL-UHFFFAOYSA-N 0 1 269.291 2.752 20 30 CFEDMN C#CCN(CC)Cc1cc(OC)c(OCC)c(OC)c1 ZINC000271129378 385344046 /nfs/dbraw/zinc/34/40/46/385344046.db2.gz JFOQHPGQQYSGPA-UHFFFAOYSA-N 0 1 277.364 2.558 20 30 CFEDMN Cn1ncc2c1CCC[C@H]2NC1(c2cccc(C#N)c2)CC1 ZINC000272168744 385464743 /nfs/dbraw/zinc/46/47/43/385464743.db2.gz CWVXLWKYABGDTG-MRXNPFEDSA-N 0 1 292.386 2.948 20 30 CFEDMN CC(C)(C)[C@H]1CCN(Cc2cc(C#N)ccc2F)C[C@H]1O ZINC000272302518 385504317 /nfs/dbraw/zinc/50/43/17/385504317.db2.gz HISKJARFTXXPQJ-GOEBONIOSA-N 0 1 290.382 2.926 20 30 CFEDMN C=CCCCN(C)C(=O)c1cccc2[nH]c(C)nc21 ZINC000284137629 385540307 /nfs/dbraw/zinc/54/03/07/385540307.db2.gz VUGNZBNKFSUJJS-UHFFFAOYSA-N 0 1 257.337 2.910 20 30 CFEDMN COc1ccc([C@@H](CN(C)C)NCc2ccc(C#N)o2)cc1 ZINC000283974125 385519303 /nfs/dbraw/zinc/51/93/03/385519303.db2.gz LGRATFBZYBSQOL-QGZVFWFLSA-N 0 1 299.374 2.552 20 30 CFEDMN C=CCS(=O)(=O)CCN[C@H](C)c1ccc(Cl)cc1 ZINC000272800333 385618883 /nfs/dbraw/zinc/61/88/83/385618883.db2.gz BEHJBVCEIOSUEQ-LLVKDONJSA-N 0 1 287.812 2.591 20 30 CFEDMN Cc1nc([C@H](C)Nc2nc(C(F)(F)F)ccc2C#N)n[nH]1 ZINC000286673670 385682929 /nfs/dbraw/zinc/68/29/29/385682929.db2.gz XZDTYEKYQNYOFN-LURJTMIESA-N 0 1 296.256 2.572 20 30 CFEDMN C#CCCCC(=O)Nc1cc(Cl)c(O)cc1F ZINC000286724140 385695948 /nfs/dbraw/zinc/69/59/48/385695948.db2.gz KPGHNCPBUZNUSS-UHFFFAOYSA-N 0 1 255.676 2.927 20 30 CFEDMN C#CCN(Cc1c[nH]nc1-c1c(F)cccc1F)C1CC1 ZINC000274064178 385711884 /nfs/dbraw/zinc/71/18/84/385711884.db2.gz DVTQKIKOBNHTFZ-UHFFFAOYSA-N 0 1 287.313 2.953 20 30 CFEDMN C=CC[C@H]1CCCN(CC(=O)N(CC)CC(F)(F)F)C1 ZINC000639799075 385715548 /nfs/dbraw/zinc/71/55/48/385715548.db2.gz VPRGVPQWLPOIBQ-LBPRGKRZSA-N 0 1 292.345 2.685 20 30 CFEDMN C=C(C)CCN1CCOC[C@@H]1C[C@@H](O)c1ccccc1 ZINC000274792020 385871834 /nfs/dbraw/zinc/87/18/34/385871834.db2.gz OIHVBZXBVPJDJV-DLBZAZTESA-N 0 1 275.392 2.777 20 30 CFEDMN C#CCN(C[C@@H](O)c1ccc(F)cc1Cl)C1CC1 ZINC000274802548 385874348 /nfs/dbraw/zinc/87/43/48/385874348.db2.gz FTBKVZCIGGVVIE-CQSZACIVSA-N 0 1 267.731 2.610 20 30 CFEDMN C=CCCOCCN[C@H](C)c1ccc(Cl)cn1 ZINC000274816800 385877168 /nfs/dbraw/zinc/87/71/68/385877168.db2.gz ZFMGRMKANVDDLO-LLVKDONJSA-N 0 1 254.761 2.978 20 30 CFEDMN C=CCS(=O)(=O)CCN[C@H](CCC)c1ccsc1 ZINC000276907834 386075193 /nfs/dbraw/zinc/07/51/93/386075193.db2.gz KDUGSAFTIDANAU-CYBMUJFWSA-N 0 1 287.450 2.780 20 30 CFEDMN C[C@H]1Oc2ccccc2[C@H]1NCc1cc(C#N)n(C)c1 ZINC000288412292 197071621 /nfs/dbraw/zinc/07/16/21/197071621.db2.gz APOXLPRGRCRBDI-BZNIZROVSA-N 0 1 267.332 2.509 20 30 CFEDMN C=CCN1CC[C@H](N(C)Cc2cccc(C(F)F)c2)C1=O ZINC000281215372 195152650 /nfs/dbraw/zinc/15/26/50/195152650.db2.gz DLZQAOGBLKPFTP-AWEZNQCLSA-N 0 1 294.345 2.843 20 30 CFEDMN CC[C@H]1CN(Cc2ccc(OC)c(C#N)c2)CCCO1 ZINC000281223467 195155291 /nfs/dbraw/zinc/15/52/91/195155291.db2.gz KPAQLAOPQHEUOZ-HNNXBMFYSA-N 0 1 274.364 2.568 20 30 CFEDMN COc1ccncc1CN[C@H](C)c1ccc(C#N)cc1 ZINC000287559652 196885127 /nfs/dbraw/zinc/88/51/27/196885127.db2.gz BDXGKYHOBNCFDO-GFCCVEGCSA-N 0 1 267.332 2.813 20 30 CFEDMN CSCCCN(C)[C@@H](C)C(=O)Nc1ccccc1C#N ZINC000281347590 195205719 /nfs/dbraw/zinc/20/57/19/195205719.db2.gz KJOLIXHVLMIDFY-LBPRGKRZSA-N 0 1 291.420 2.570 20 30 CFEDMN C=CC[C@H](C(=O)NCc1cc(C)[nH]n1)c1ccccc1 ZINC000681732181 542483139 /nfs/dbraw/zinc/48/31/39/542483139.db2.gz YHGFOACPCVTGKA-HNNXBMFYSA-N 0 1 269.348 2.694 20 30 CFEDMN C=CC[C@@H](C(=O)N1CCN(CC)[C@@H](C)C1)c1ccccc1 ZINC000681738125 542483334 /nfs/dbraw/zinc/48/33/34/542483334.db2.gz GEYVQNLPTDGOIP-DOTOQJQBSA-N 0 1 286.419 2.899 20 30 CFEDMN C=CC[C@@H](C)NC(=O)NCc1ccc(F)c(CN(C)C)c1 ZINC000116960266 260008335 /nfs/dbraw/zinc/00/83/35/260008335.db2.gz ZDSAPAZCBWXJRE-GFCCVEGCSA-N 0 1 293.386 2.651 20 30 CFEDMN C=CC[C@H](C)NC(=O)NC[C@H](c1cccc(F)c1)N(C)C ZINC000117025900 260021039 /nfs/dbraw/zinc/02/10/39/260021039.db2.gz UOSHPUIFUOTRJQ-SWLSCSKDSA-N 0 1 293.386 2.692 20 30 CFEDMN COc1ccc(CCCNCc2nc(C#N)cs2)cc1 ZINC000352843115 533474523 /nfs/dbraw/zinc/47/45/23/533474523.db2.gz XOPSZBDEPPGPCF-UHFFFAOYSA-N 0 1 287.388 2.746 20 30 CFEDMN C[C@H]1CCN(CC(=O)NC(=O)NC2CC2)CC12CCC2 ZINC000329135508 533638583 /nfs/dbraw/zinc/63/85/83/533638583.db2.gz GJUDEYZFIPNCSQ-NSHDSACASA-N 0 1 279.384 2.531 20 30 CFEDMN CN1Cc2ccccc2[C@@H](Nc2ccc(C#N)nc2)C1 ZINC000366759763 130223221 /nfs/dbraw/zinc/22/32/21/130223221.db2.gz NOXOEGCNVQCRTN-INIZCTEOSA-N 0 1 264.332 2.552 20 30 CFEDMN CCCCNC(=O)C1CCN(CC#Cc2ccccc2)CC1 ZINC000191866537 130320977 /nfs/dbraw/zinc/32/09/77/130320977.db2.gz HKIRFCIOLVYORA-UHFFFAOYSA-N 0 1 298.430 2.666 20 30 CFEDMN CCCN(CCN1CCCC1)C(=O)c1ccc(C#N)s1 ZINC000342158985 130350376 /nfs/dbraw/zinc/35/03/76/130350376.db2.gz JJVXJPTZOQYTSK-UHFFFAOYSA-N 0 1 291.420 2.568 20 30 CFEDMN C=CCN(Cc1ccccc1)C(=O)CCc1cnc[nH]1 ZINC000276486671 542663981 /nfs/dbraw/zinc/66/39/81/542663981.db2.gz TVHBCBWFTSQUDF-UHFFFAOYSA-N 0 1 269.348 2.557 20 30 CFEDMN C=CCCC(=O)N1CCNC[C@@H]1c1cccc(Cl)c1 ZINC000262325703 131212420 /nfs/dbraw/zinc/21/24/20/131212420.db2.gz GBRIJJGQRPMMEI-CQSZACIVSA-N 0 1 278.783 2.779 20 30 CFEDMN C=CCCC(=O)NC[C@@H](c1cccc(F)c1)N(C)C ZINC000263975513 131372031 /nfs/dbraw/zinc/37/20/31/131372031.db2.gz IZNZLXGQZMQYQI-AWEZNQCLSA-N 0 1 264.344 2.511 20 30 CFEDMN COCC#CCN(C)[C@@H](COC)c1ccc(Cl)cc1 ZINC000683803484 542727164 /nfs/dbraw/zinc/72/71/64/542727164.db2.gz UMTQEYYJGHBSRV-HNNXBMFYSA-N 0 1 281.783 2.609 20 30 CFEDMN CCCNC(=O)[C@@H]1CCC[N@@H+](Cc2ccc(C#N)cc2C)C1 ZINC000186191761 393541573 /nfs/dbraw/zinc/54/15/73/393541573.db2.gz NBORKGSDVKTXBM-QGZVFWFLSA-N 0 1 299.418 2.605 20 30 CFEDMN C=C(C)CN(C)C(=O)NC[C@H](c1ccc(F)cc1)N(C)C ZINC000181147490 393491458 /nfs/dbraw/zinc/49/14/58/393491458.db2.gz FRDMLUCFMOAVNS-OAHLLOKOSA-N 0 1 293.386 2.646 20 30 CFEDMN C=CCC[C@H](NC(=O)N[C@@H](C)c1nnc[nH]1)c1ccccc1 ZINC000183347703 393518581 /nfs/dbraw/zinc/51/85/81/393518581.db2.gz VMXFUWWSDSNWMO-JSGCOSHPSA-N 0 1 299.378 2.872 20 30 CFEDMN CC[C@@H]1CCCC[C@@H]1NC(=O)N[C@@H]1CCc2nc[nH]c2C1 ZINC000329640725 393545370 /nfs/dbraw/zinc/54/53/70/393545370.db2.gz ZXWMWAVVBKCHCS-UPJWGTAASA-N 0 1 290.411 2.739 20 30 CFEDMN C[C@@H]1CC[C@@H](C)N1CC(=O)Nc1cccc2c1OCO2 ZINC000329465906 393535828 /nfs/dbraw/zinc/53/58/28/393535828.db2.gz RPXYOGYNUGAJFF-GHMZBOCLSA-N 0 1 276.336 2.876 20 30 CFEDMN C[C@@H](Cn1ccnc1)NC([O-])=[NH+]c1cnc2c(c1)CCCC2 ZINC000329466544 393536298 /nfs/dbraw/zinc/53/62/98/393536298.db2.gz SBJLOCVEJJNLLC-LBPRGKRZSA-N 0 1 299.378 2.572 20 30 CFEDMN C[C@@H]1CCSCCN1Cc1cnc2ccc(C#N)cn12 ZINC000191810238 393607321 /nfs/dbraw/zinc/60/73/21/393607321.db2.gz CBUCGEMMNZMIHV-GFCCVEGCSA-N 0 1 286.404 2.533 20 30 CFEDMN CC[C@@H](CC(C)C)C(=O)N=c1[nH]n(C(C)C)cc1C#N ZINC000410539274 393629593 /nfs/dbraw/zinc/62/95/93/393629593.db2.gz JFWSIQHBKCQGNS-LBPRGKRZSA-N 0 1 276.384 2.768 20 30 CFEDMN CCN(Cc1ccccc1)Cc1ccnc(C#N)c1 ZINC000068765625 393634875 /nfs/dbraw/zinc/63/48/75/393634875.db2.gz CBVQFZNOBOUEFL-UHFFFAOYSA-N 0 1 251.333 2.975 20 30 CFEDMN O[C@@H]1CC[C@@H]2CN(CC#Cc3ccccc3Cl)C[C@@H]2C1 ZINC000412048131 393761287 /nfs/dbraw/zinc/76/12/87/393761287.db2.gz PXMCJHGAQXJOQN-OWCLPIDISA-N 0 1 289.806 2.784 20 30 CFEDMN C[C@@H]1CC[C@H](O)[C@@H]([C@@H]2CCCCN2CCC#N)C1 ZINC000411658258 393736108 /nfs/dbraw/zinc/73/61/08/393736108.db2.gz BMKMYQKVPDDIAS-KBXIAJHMSA-N 0 1 250.386 2.552 20 30 CFEDMN C[C@H](NCCC1(C#N)CCCCC1)c1ccn(C)n1 ZINC000411816967 393751242 /nfs/dbraw/zinc/75/12/42/393751242.db2.gz ILWISULYNZMZAV-ZDUSSCGKSA-N 0 1 260.385 2.935 20 30 CFEDMN N#CCc1ccc(CN2CCO[C@H](C3CCC3)C2)cc1 ZINC000411840210 393754013 /nfs/dbraw/zinc/75/40/13/393754013.db2.gz DVPOUZVEIBHIBF-KRWDZBQOSA-N 0 1 270.376 2.754 20 30 CFEDMN N#C[C@H](C(=O)c1csc(C2CC2)n1)c1ccccn1 ZINC000194988769 393727187 /nfs/dbraw/zinc/72/71/87/393727187.db2.gz WCEXKRCKVYLUJI-JTQLQIEISA-N 0 1 269.329 2.906 20 30 CFEDMN N#CC(C(=O)c1csc(C2CC2)n1)c1ccccn1 ZINC000194988769 393727190 /nfs/dbraw/zinc/72/71/90/393727190.db2.gz WCEXKRCKVYLUJI-JTQLQIEISA-N 0 1 269.329 2.906 20 30 CFEDMN C=C(C)CN(CCNC(C)=O)Cc1ccc(C)s1 ZINC000338321305 393781905 /nfs/dbraw/zinc/78/19/05/393781905.db2.gz GBHQINRBLVUMEE-UHFFFAOYSA-N 0 1 266.410 2.571 20 30 CFEDMN CC(C)(C)OC(=O)C(C)(C)CCNCc1ccc(C#N)o1 ZINC000424188440 393790707 /nfs/dbraw/zinc/79/07/07/393790707.db2.gz LGWGNPNVWNHCKC-UHFFFAOYSA-N 0 1 292.379 2.999 20 30 CFEDMN C=CCN(CC=C)C(=O)c1cc(C)cc2c[nH]nc21 ZINC000338641925 393794382 /nfs/dbraw/zinc/79/43/82/393794382.db2.gz LOQQAWGIVISFRR-UHFFFAOYSA-N 0 1 255.321 2.686 20 30 CFEDMN CCOc1cccc(CN(CCC#N)CC2CC2)c1O ZINC000093091380 393794541 /nfs/dbraw/zinc/79/45/41/393794541.db2.gz DZYZPGTXBPCEQM-UHFFFAOYSA-N 0 1 274.364 2.917 20 30 CFEDMN C=C(C)Cn1c(C(C)C)nnc1N1CCN(CCC)CC1 ZINC000338812797 393801418 /nfs/dbraw/zinc/80/14/18/393801418.db2.gz VOSPLWGMGDQRAX-UHFFFAOYSA-N 0 1 291.443 2.510 20 30 CFEDMN C=CCOCCN1CC[C@@H](c2c(F)cccc2F)C1 ZINC000339093741 393817712 /nfs/dbraw/zinc/81/77/12/393817712.db2.gz FHZKCCKTZDXPMY-GFCCVEGCSA-N 0 1 267.319 2.957 20 30 CFEDMN C=CC[C@@H](CO)CNc1cc[nH+]c2c([O-])cccc12 ZINC000684580306 542830623 /nfs/dbraw/zinc/83/06/23/542830623.db2.gz GXVUHKYNWMFXPB-LLVKDONJSA-N 0 1 258.321 2.537 20 30 CFEDMN C=CCCC(=O)Nc1cccc2c1OCC[C@@H]2N(C)C ZINC000345513423 393909488 /nfs/dbraw/zinc/90/94/88/393909488.db2.gz WCGILMYCUSWENK-AWEZNQCLSA-N 0 1 274.364 2.977 20 30 CFEDMN C=C(C)CN(CC)[C@H](C)C(=O)Nc1ccccc1C#N ZINC000120109198 393930519 /nfs/dbraw/zinc/93/05/19/393930519.db2.gz JWBWDVFTBHZIHM-CYBMUJFWSA-N 0 1 271.364 2.783 20 30 CFEDMN Cc1ccc(N2CCN(CCCC#N)CC2)cc1C ZINC000126167270 394022148 /nfs/dbraw/zinc/02/21/48/394022148.db2.gz KGEFIECTACQCJC-UHFFFAOYSA-N 0 1 257.381 2.729 20 30 CFEDMN CC[C@H](C#N)Nc1cccc2c1CN(CCCOC)C2 ZINC000122231982 393965984 /nfs/dbraw/zinc/96/59/84/393965984.db2.gz QTUFPIVCUSIJTQ-CQSZACIVSA-N 0 1 273.380 2.753 20 30 CFEDMN COc1cc(-c2nc3ccc(C#N)cc3[nH]2)ccc1O ZINC000123214499 393977876 /nfs/dbraw/zinc/97/78/76/393977876.db2.gz FRYGPICLLXVZBE-UHFFFAOYSA-N 0 1 265.272 2.816 20 30 CFEDMN CC(=O)c1ccc(C#N)cc1N1CCN(C)[C@H](C(C)C)C1 ZINC000487131295 393985009 /nfs/dbraw/zinc/98/50/09/393985009.db2.gz BAGZYPGTHVSPLQ-KRWDZBQOSA-N 0 1 285.391 2.537 20 30 CFEDMN C#CCn1ccc(CN(CC)c2ccnc(C)c2Cl)n1 ZINC000490949321 394045304 /nfs/dbraw/zinc/04/53/04/394045304.db2.gz JXZPJYPDOXZXSQ-UHFFFAOYSA-N 0 1 288.782 2.900 20 30 CFEDMN C=C(C)CN[C@@H](c1ccc(C)cc1)[C@H](C)S(C)(=O)=O ZINC000280820826 394074191 /nfs/dbraw/zinc/07/41/91/394074191.db2.gz NJUIDZJKCUEDRQ-DZGCQCFKSA-N 0 1 281.421 2.635 20 30 CFEDMN N#Cc1ccc([C@H](C(N)=O)N2CCC3(C2)CCCCC3)cc1 ZINC000130032597 394099726 /nfs/dbraw/zinc/09/97/26/394099726.db2.gz FOEUJLPBGNJNBD-MRXNPFEDSA-N 0 1 297.402 2.741 20 30 CFEDMN CCCN(Cc1ccc(C#N)cc1)C(=O)CN(CC)C1CC1 ZINC000126713138 394034593 /nfs/dbraw/zinc/03/45/93/394034593.db2.gz FBGUWFCRIHIALL-UHFFFAOYSA-N 0 1 299.418 2.781 20 30 CFEDMN C=CCN1CC[C@H](N(CCC)Cc2ccc(C#N)cc2)C1=O ZINC000282001457 394107808 /nfs/dbraw/zinc/10/78/08/394107808.db2.gz NNXJUIGWZIDVAC-KRWDZBQOSA-N 0 1 297.402 2.557 20 30 CFEDMN CN(Cc1ccc(C#N)cc1Cl)C[C@@H]1CCC[C@H]1O ZINC000439450634 394115492 /nfs/dbraw/zinc/11/54/92/394115492.db2.gz KIMVQVLRBMXZQY-DZGCQCFKSA-N 0 1 278.783 2.804 20 30 CFEDMN C=CCNC(=O)CN[C@@H](c1cc(F)ccc1F)C(C)C ZINC000358990712 394119470 /nfs/dbraw/zinc/11/94/70/394119470.db2.gz ODWVFUOQSHDAOY-OAHLLOKOSA-N 0 1 282.334 2.554 20 30 CFEDMN C=CCN1CC[C@@H](N(C)[C@@H](CC)c2ccc(F)cc2)C1=O ZINC000282084472 394120917 /nfs/dbraw/zinc/12/09/17/394120917.db2.gz UVXKIHWJEPJZHT-JKSUJKDBSA-N 0 1 290.382 2.996 20 30 CFEDMN C=CCN1CC[C@@H](N(C)[C@H](CC)c2ccc(F)cc2)C1=O ZINC000282084469 394121027 /nfs/dbraw/zinc/12/10/27/394121027.db2.gz UVXKIHWJEPJZHT-HZPDHXFCSA-N 0 1 290.382 2.996 20 30 CFEDMN COc1cc(C)c(CN2CCC(C)(C#N)CC2)c(C)n1 ZINC000359294591 394128736 /nfs/dbraw/zinc/12/87/36/394128736.db2.gz HAAZSQPFVYYPGY-UHFFFAOYSA-N 0 1 273.380 2.833 20 30 CFEDMN C=CCN(CCC#N)C(=O)c1cnc(-c2ccccc2)[nH]1 ZINC000359419431 394133365 /nfs/dbraw/zinc/13/33/65/394133365.db2.gz QWIDTQCOADFWMX-UHFFFAOYSA-N 0 1 280.331 2.619 20 30 CFEDMN N#CCCCN[C@@H](CCO)c1ccccc1Br ZINC000359538975 394138509 /nfs/dbraw/zinc/13/85/09/394138509.db2.gz NYGSXRAUMUMTJE-ZDUSSCGKSA-N 0 1 297.196 2.766 20 30 CFEDMN Cc1nsc(NC[C@@H](c2ccco2)N(C)C)c1C#N ZINC000285760260 394145810 /nfs/dbraw/zinc/14/58/10/394145810.db2.gz VJHJQDKWHVBIRI-NSHDSACASA-N 0 1 276.365 2.631 20 30 CFEDMN C=C(C)COCCNCc1cc(C(=O)OC)ccc1Cl ZINC000360995762 394162337 /nfs/dbraw/zinc/16/23/37/394162337.db2.gz NKJXEBSEIPMQLR-UHFFFAOYSA-N 0 1 297.782 2.809 20 30 CFEDMN C=C(C)COc1cccc(NC(=O)[C@H]2C[C@@H]2c2nc[nH]n2)c1 ZINC000361036071 394163569 /nfs/dbraw/zinc/16/35/69/394163569.db2.gz QUVJPSXXUFQRTB-KBPBESRZSA-N 0 1 298.346 2.502 20 30 CFEDMN C=C[C@@H](CO)N[C@@H](C)c1cc(Br)ccc1F ZINC000289945661 394224867 /nfs/dbraw/zinc/22/48/67/394224867.db2.gz WEOIZDBTKLBCDW-WPRPVWTQSA-N 0 1 288.160 2.786 20 30 CFEDMN C=CCC[C@H](O)CN(C)C1(C(=O)OCC)CCCCC1 ZINC000151206822 394261443 /nfs/dbraw/zinc/26/14/43/394261443.db2.gz WBZXINVEDDUFDJ-AWEZNQCLSA-N 0 1 283.412 2.511 20 30 CFEDMN CC[C@@H]1CN(CC)CCN1C(=O)/C=C\c1ccc(C#N)cc1 ZINC000493533610 394271743 /nfs/dbraw/zinc/27/17/43/394271743.db2.gz XGYLGMZONJQRAH-DOOKAGJSSA-N 0 1 297.402 2.514 20 30 CFEDMN CC[C@H]1CN(CC)CCN1C(=O)/C=C\c1cccc(C#N)c1 ZINC000493661412 394303021 /nfs/dbraw/zinc/30/30/21/394303021.db2.gz OEBDQJSVWBEBOM-JJEJIETFSA-N 0 1 297.402 2.514 20 30 CFEDMN CC[C@@H]1CN(CC)CCN1C(=O)/C=C\c1cccc(C#N)c1 ZINC000493661414 394303497 /nfs/dbraw/zinc/30/34/97/394303497.db2.gz OEBDQJSVWBEBOM-XZVRFQMRSA-N 0 1 297.402 2.514 20 30 CFEDMN Cc1nn(C)c(C)c1CN(C)Cc1ccc(C#N)cc1 ZINC000154843827 394303545 /nfs/dbraw/zinc/30/35/45/394303545.db2.gz DVWGMDKBBFAOEW-UHFFFAOYSA-N 0 1 268.364 2.541 20 30 CFEDMN C[C@@H]1CCCCN1Cc1ccc(C#N)cc1[N+](=O)[O-] ZINC000516973413 394370492 /nfs/dbraw/zinc/37/04/92/394370492.db2.gz RLAIZDGYMJSKJH-LLVKDONJSA-N 0 1 259.309 2.841 20 30 CFEDMN N#CCCCCNC(=O)[C@H]1CCCCN1Cc1ccccc1 ZINC000174624602 394379186 /nfs/dbraw/zinc/37/91/86/394379186.db2.gz BKJXPPMNSDRVLQ-QGZVFWFLSA-N 0 1 299.418 2.851 20 30 CFEDMN COC(=O)c1cccc(CN2[C@H](C)CC[C@@H]2C)c1C#N ZINC000535963970 394550450 /nfs/dbraw/zinc/55/04/50/394550450.db2.gz QCNSVFWAIUMMRQ-TXEJJXNPSA-N 0 1 272.348 2.718 20 30 CFEDMN CC[C@@H](C)CN(C)Cc1cccc(C(=O)OC)c1C#N ZINC000535963739 394550927 /nfs/dbraw/zinc/55/09/27/394550927.db2.gz NPOOGRQRTDYLQF-GFCCVEGCSA-N 0 1 274.364 2.823 20 30 CFEDMN COC(=O)c1cccc(CN2C[C@@H](C)CC[C@H]2C)c1C#N ZINC000535961943 394551000 /nfs/dbraw/zinc/55/10/00/394551000.db2.gz CINPWYORYNXSGA-QWHCGFSZSA-N 0 1 286.375 2.965 20 30 CFEDMN COC(=O)c1cccc(CN2C[C@H](C)CC[C@@H]2C)c1C#N ZINC000535961939 394551008 /nfs/dbraw/zinc/55/10/08/394551008.db2.gz CINPWYORYNXSGA-OLZOCXBDSA-N 0 1 286.375 2.965 20 30 CFEDMN N#Cc1ccc(-c2nnc(CNC3(C4CC4)CC3)o2)cc1 ZINC000544415062 394759947 /nfs/dbraw/zinc/75/99/47/394759947.db2.gz IPSFJCFBTFDXFR-UHFFFAOYSA-N 0 1 280.331 2.640 20 30 CFEDMN C[C@H](O)C[C@H](CNC[C@H](C#N)CCC#N)c1ccccc1 ZINC000574749837 395089912 /nfs/dbraw/zinc/08/99/12/395089912.db2.gz BYRSAZWWCPBIRO-YQQAZPJKSA-N 0 1 285.391 2.574 20 30 CFEDMN C=CCOc1ccc(Cc2nc([C@H]3CCCN3)no2)cc1 ZINC000647144729 395174182 /nfs/dbraw/zinc/17/41/82/395174182.db2.gz DZLZYPLYEBEGKE-CQSZACIVSA-N 0 1 285.347 2.650 20 30 CFEDMN C=C[C@H](CC(=O)N1CCc2nc[nH]c2C1)c1ccccc1 ZINC000647735023 395422026 /nfs/dbraw/zinc/42/20/26/395422026.db2.gz OBZPYOUQHJKBIR-CYBMUJFWSA-N 0 1 281.359 2.654 20 30 CFEDMN COCC#CCNC1(c2ccccc2Cl)CCC1 ZINC000649644103 395544630 /nfs/dbraw/zinc/54/46/30/395544630.db2.gz SAXPORIIGLEXOE-UHFFFAOYSA-N 0 1 263.768 2.959 20 30 CFEDMN Fc1ccc(C#CCN2CC[C@@]3(CC3(F)F)C2)cc1 ZINC000649907548 395589839 /nfs/dbraw/zinc/58/98/39/395589839.db2.gz USUMCYHNKKGVLW-CQSZACIVSA-N 0 1 265.278 2.908 20 30 CFEDMN COCC#CCN1CCC[C@@H]2O[C@H](c3ccccc3)C[C@@H]21 ZINC000649917330 395591394 /nfs/dbraw/zinc/59/13/94/395591394.db2.gz IBFJJTSTSMKRCA-BZSNNMDCSA-N 0 1 285.387 2.631 20 30 CFEDMN C=CCOc1ccc(C[N@@H+](CC(=O)[O-])CC2CC2)cc1 ZINC000650797228 413168794 /nfs/dbraw/zinc/16/87/94/413168794.db2.gz OGBYDXOQXXZEOK-UHFFFAOYSA-N 0 1 275.348 2.548 20 30 CFEDMN Cc1ccc(C(=O)Nc2nc(-c3ccccn3)n[nH]2)cc1F ZINC000047342864 397585329 /nfs/dbraw/zinc/58/53/29/397585329.db2.gz RFQSFZXKLUNCQP-UHFFFAOYSA-N 0 1 297.293 2.951 20 30 CFEDMN Cc1cccc(C)c1NC(=O)CN(C)CCCCC#N ZINC000198672709 397614218 /nfs/dbraw/zinc/61/42/18/397614218.db2.gz QMAIGKALEWPDJI-UHFFFAOYSA-N 0 1 273.380 2.868 20 30 CFEDMN C=CCOc1ccc(C[N@H+](C)[C@H](CC)C(=O)[O-])cc1OC ZINC000650807752 413184410 /nfs/dbraw/zinc/18/44/10/413184410.db2.gz HLLDGSWWEZGKIJ-CYBMUJFWSA-N 0 1 293.363 2.555 20 30 CFEDMN C=C1CCN(C(=O)[C@@H](N)c2cccc(Cl)c2)CC1 ZINC000653174261 413230238 /nfs/dbraw/zinc/23/02/38/413230238.db2.gz YCVSDEMULWARPI-ZDUSSCGKSA-N 0 1 264.756 2.518 20 30 CFEDMN C=C(C)[C@H](NC[C@H](COC)OC)c1ccc(F)c(F)c1 ZINC000660312068 413238235 /nfs/dbraw/zinc/23/82/35/413238235.db2.gz NYCGWQYMVMNZQE-DOMZBBRYSA-N 0 1 285.334 2.833 20 30 CFEDMN N#Cc1ccc(CN2CCC[C@H]2CCO)c(C(F)(F)F)c1 ZINC000356420682 155259792 /nfs/dbraw/zinc/25/97/92/155259792.db2.gz SVVVKXHHGZPNMW-ZDUSSCGKSA-N 0 1 298.308 2.924 20 30 CFEDMN CN1CCCC(C)(C)[C@H]1CNc1nccc(C#N)c1Cl ZINC000343057018 154097893 /nfs/dbraw/zinc/09/78/93/154097893.db2.gz ZZFIADUECGLRQJ-GFCCVEGCSA-N 0 1 292.814 2.561 20 30 CFEDMN CCCC(=O)N1CCCN([C@@H](C)c2ccc(C#N)cc2)CC1 ZINC000362933108 156118664 /nfs/dbraw/zinc/11/86/64/156118664.db2.gz SNUYXTYBYZUMTG-HNNXBMFYSA-N 0 1 299.418 2.954 20 30 CFEDMN N#Cc1ccc(NC(=O)CN2C[C@@H]3CCCCC[C@@H]32)cc1 ZINC000363037499 156143588 /nfs/dbraw/zinc/14/35/88/156143588.db2.gz GSZIABKBIAXKCT-HOCLYGCPSA-N 0 1 283.375 2.761 20 30 CFEDMN N#Cc1ccc(OC2CCN(Cc3cccnc3)CC2)cc1 ZINC000363272374 156167999 /nfs/dbraw/zinc/16/79/99/156167999.db2.gz CMTDCPIOAAUYGT-UHFFFAOYSA-N 0 1 293.370 2.997 20 30 CFEDMN Cc1ccc(C#N)cc1NC(=O)[C@H]1CCCc2cn[nH]c21 ZINC000367059091 156273420 /nfs/dbraw/zinc/27/34/20/156273420.db2.gz BLACYMOEIZYNDO-ZDUSSCGKSA-N 0 1 280.331 2.648 20 30 CFEDMN N#Cc1ccc(CN2CCC[C@H](c3ccncn3)C2)s1 ZINC000367475436 156337884 /nfs/dbraw/zinc/33/78/84/156337884.db2.gz XQYGFWDEISVWJF-LBPRGKRZSA-N 0 1 284.388 2.789 20 30 CFEDMN C=CCCn1cc(CN([C@H](C)C2CC2)C2CC2)nn1 ZINC000653496349 413331801 /nfs/dbraw/zinc/33/18/01/413331801.db2.gz OFOPMXIKTLOURX-GFCCVEGCSA-N 0 1 260.385 2.617 20 30 CFEDMN C=CCCn1cc(CN(C)[C@H]2CCC[C@H](C)C2)nn1 ZINC000653496414 413333289 /nfs/dbraw/zinc/33/32/89/413333289.db2.gz PVSKLIKFDSNINY-ZFWWWQNUSA-N 0 1 262.401 2.865 20 30 CFEDMN C=CCCn1cc(CN2CCC[C@H]2C(C)(C)C)nn1 ZINC000653545891 413360362 /nfs/dbraw/zinc/36/03/62/413360362.db2.gz QJRPOMHXCVTKOH-AWEZNQCLSA-N 0 1 262.401 2.865 20 30 CFEDMN C=CCCn1cc(CN2CCC[C@H]3CCC[C@@H]32)nn1 ZINC000653559824 413367725 /nfs/dbraw/zinc/36/77/25/413367725.db2.gz WPLCHYYDCIPIFM-HIFRSBDPSA-N 0 1 260.385 2.619 20 30 CFEDMN C=CCCn1cc(CN2CCC[C@@H]3CCC[C@@H]32)nn1 ZINC000653559826 413368040 /nfs/dbraw/zinc/36/80/40/413368040.db2.gz WPLCHYYDCIPIFM-ZFWWWQNUSA-N 0 1 260.385 2.619 20 30 CFEDMN C=CCCn1cc(CN(C)[C@@H]2CCCC[C@H]2C)nn1 ZINC000653632344 413415378 /nfs/dbraw/zinc/41/53/78/413415378.db2.gz QDOLVHRXDIVFBC-UKRRQHHQSA-N 0 1 262.401 2.865 20 30 CFEDMN C=CCCn1cc(CN2C[C@H](C)C[C@@H](C)[C@H]2C)nn1 ZINC000653637301 413418849 /nfs/dbraw/zinc/41/88/49/413418849.db2.gz AQKBEALHANMNQE-MGPQQGTHSA-N 0 1 262.401 2.721 20 30 CFEDMN C=CCCn1cc(CN[C@@H]2C[C@@H](OC)C2(CC)CC)nn1 ZINC000653642574 413423837 /nfs/dbraw/zinc/42/38/37/413423837.db2.gz KJKNLGYWELLSNT-HUUCEWRRSA-N 0 1 292.427 2.538 20 30 CFEDMN N#Cc1ccc(CNc2cnccc2-n2cccn2)c(F)c1 ZINC000345168062 162192375 /nfs/dbraw/zinc/19/23/75/162192375.db2.gz POLCWLZIPJRJBM-UHFFFAOYSA-N 0 1 293.305 2.890 20 30 CFEDMN CO[C@H](C)CN(Cc1cc(F)ccc1C#N)C(C)C ZINC000345901702 162272233 /nfs/dbraw/zinc/27/22/33/162272233.db2.gz OKIVNYMQGMFFLR-GFCCVEGCSA-N 0 1 264.344 2.943 20 30 CFEDMN C[C@]1(CCCO)CCCN1Cc1ccc(F)cc1C#N ZINC000345959216 162284891 /nfs/dbraw/zinc/28/48/91/162284891.db2.gz YPYWAWBOZZSNKD-MRXNPFEDSA-N 0 1 276.355 2.824 20 30 CFEDMN C=CCCn1cc(CN[C@H](C)Cc2ccsc2)nn1 ZINC000657324097 413445228 /nfs/dbraw/zinc/44/52/28/413445228.db2.gz SGAVBTSOIAYPHJ-GFCCVEGCSA-N 0 1 276.409 2.637 20 30 CFEDMN C=CCCn1cc(CN2CC(C)(C)[C@@H]3CCC[C@H]32)nn1 ZINC000653705783 413454958 /nfs/dbraw/zinc/45/49/58/413454958.db2.gz ISONMCHTDWMWAO-HUUCEWRRSA-N 0 1 274.412 2.865 20 30 CFEDMN C[C@H](NCc1nc(C#N)cs1)[C@H]1COc2ccccc21 ZINC000352820411 163242656 /nfs/dbraw/zinc/24/26/56/163242656.db2.gz CTVJEEWHZBPUAY-GXFFZTMASA-N 0 1 285.372 2.669 20 30 CFEDMN CS[C@H](CNCc1nc(C#N)cs1)C(C)(C)C ZINC000352822300 163243523 /nfs/dbraw/zinc/24/35/23/163243523.db2.gz JOSNSGZXRUUGAQ-SNVBAGLBSA-N 0 1 269.439 2.882 20 30 CFEDMN N#Cc1csc(CNCCc2cc3ccccc3[nH]2)n1 ZINC000352838353 163246988 /nfs/dbraw/zinc/24/69/88/163246988.db2.gz MOTVTFDSGXZGPI-UHFFFAOYSA-N 0 1 282.372 2.828 20 30 CFEDMN CCO[C@H](CCNCc1nc(C#N)cs1)C(C)C ZINC000352839967 163249701 /nfs/dbraw/zinc/24/97/01/163249701.db2.gz STQLTVDHRHYBGF-GFCCVEGCSA-N 0 1 267.398 2.556 20 30 CFEDMN Cc1ccc(OCCCNCc2nc(C#N)cs2)cc1 ZINC000352853250 163253649 /nfs/dbraw/zinc/25/36/49/163253649.db2.gz MOZDTVKXCWIBJI-UHFFFAOYSA-N 0 1 287.388 2.882 20 30 CFEDMN Cc1csc([C@@H](C)CNCc2nc(C#N)cs2)n1 ZINC000352934671 163274738 /nfs/dbraw/zinc/27/47/38/163274738.db2.gz IFZAKEAQOGYPQF-QMMMGPOBSA-N 0 1 278.406 2.673 20 30 CFEDMN Cc1cccnc1C(C)(C)CNCc1nc(C#N)cs1 ZINC000353064481 163300588 /nfs/dbraw/zinc/30/05/88/163300588.db2.gz XKVJGOMUVBEFFO-UHFFFAOYSA-N 0 1 286.404 2.786 20 30 CFEDMN COc1cc(CNCc2cnn(CC(C)C)c2)ccc1C#N ZINC000353211131 163316335 /nfs/dbraw/zinc/31/63/35/163316335.db2.gz NIKNATUBMBGXPC-UHFFFAOYSA-N 0 1 298.390 2.709 20 30 CFEDMN CO[C@H](C)CN(C)Cc1ccc(C#N)cc1OC(F)F ZINC000353259055 163331693 /nfs/dbraw/zinc/33/16/93/163331693.db2.gz VLLBFOKNNLLJAB-SNVBAGLBSA-N 0 1 284.306 2.626 20 30 CFEDMN C=CCCn1cc(CN[C@H]2C[C@@H](OC(C)C)C2(C)C)nn1 ZINC000653736166 413471795 /nfs/dbraw/zinc/47/17/95/413471795.db2.gz HBQKNQKQSVQVOI-LSDHHAIUSA-N 0 1 292.427 2.536 20 30 CFEDMN C=CCCn1cc(CN2C[C@@H]3[C@@H]4CC[C@@H](C4)[C@@]3(C)C2)nn1 ZINC000653755150 413481842 /nfs/dbraw/zinc/48/18/42/413481842.db2.gz MGHDRYCEOUFXRO-YALNPMBYSA-N 0 1 286.423 2.722 20 30 CFEDMN C=CC[C@@H]1CCCC[C@@H]1NC(=O)NCc1cc(C)[nH]n1 ZINC000660716737 413513173 /nfs/dbraw/zinc/51/31/73/413513173.db2.gz YDMZDXSTZDJVSM-OCCSQVGLSA-N 0 1 276.384 2.652 20 30 CFEDMN C#CC[N@H+](CC)Cc1cc(=O)oc2cc([O-])c(Cl)cc12 ZINC000285055984 196187032 /nfs/dbraw/zinc/18/70/32/196187032.db2.gz OIWCVJOUCFSNHY-UHFFFAOYSA-N 0 1 291.734 2.607 20 30 CFEDMN Cc1ccc(CN(C)CCOc2cccc(C#N)c2)o1 ZINC000035699731 172367949 /nfs/dbraw/zinc/36/79/49/172367949.db2.gz QJRJDAIVLUSSON-UHFFFAOYSA-N 0 1 270.332 2.971 20 30 CFEDMN C[C@@H](O)CN(CC#Cc1ccccc1Cl)C1CC1 ZINC000653902328 413580684 /nfs/dbraw/zinc/58/06/84/413580684.db2.gz QHTCFPNPGUPKKQ-GFCCVEGCSA-N 0 1 263.768 2.537 20 30 CFEDMN C=CCCn1cc(CNCCCc2cccs2)nn1 ZINC000657424371 413584813 /nfs/dbraw/zinc/58/48/13/413584813.db2.gz WEKGXNUMUPHYAQ-UHFFFAOYSA-N 0 1 276.409 2.638 20 30 CFEDMN C=CCCn1cc(CNCC(C)(C)C(F)(F)F)nn1 ZINC000657461652 413635047 /nfs/dbraw/zinc/63/50/47/413635047.db2.gz JUSGUSUAHBYXLF-UHFFFAOYSA-N 0 1 276.306 2.532 20 30 CFEDMN C=CC[C@H]1CC[C@H](NCc2nnc(CC)s2)C1 ZINC000651813928 413653630 /nfs/dbraw/zinc/65/36/30/413653630.db2.gz CXZYPWNWDSQGMB-QWRGUYRKSA-N 0 1 251.399 2.935 20 30 CFEDMN C=CC[C@H]1CCCN(c2nc(N)nc3c2CCCC3)C1 ZINC000664256018 413656022 /nfs/dbraw/zinc/65/60/22/413656022.db2.gz NWKDDOHNVKGAPA-LBPRGKRZSA-N 0 1 272.396 2.730 20 30 CFEDMN C=CC[C@H]1CCCC[C@@H]1[NH2+]Cc1nc(CC)cc(=O)[n-]1 ZINC000661113894 413765325 /nfs/dbraw/zinc/76/53/25/413765325.db2.gz CITDFLLCVOXJBC-JSGCOSHPSA-N 0 1 275.396 2.969 20 30 CFEDMN COCC#CCN(Cc1ccccc1)[C@@H]1COC(C)(C)C1 ZINC000661196087 413815013 /nfs/dbraw/zinc/81/50/13/413815013.db2.gz BAQFGDXRNRCFBI-KRWDZBQOSA-N 0 1 287.403 2.706 20 30 CFEDMN C=C(C)CCNC(=O)NC[C@@H]1CCN1Cc1ccccc1 ZINC000661264234 413863823 /nfs/dbraw/zinc/86/38/23/413863823.db2.gz QJPJDDIPKLLRCR-INIZCTEOSA-N 0 1 287.407 2.526 20 30 CFEDMN C=CCN(Cc1ccc(OC)c(F)c1)[C@@H](C)COC ZINC000661241325 413843272 /nfs/dbraw/zinc/84/32/72/413843272.db2.gz VUAGZLAXKDRZNI-LBPRGKRZSA-N 0 1 267.344 2.857 20 30 CFEDMN C=CCN(Cc1sc(C)nc1C)[C@@H](C)COC ZINC000661243831 413848054 /nfs/dbraw/zinc/84/80/54/413848054.db2.gz OGDSBOUKSWZGTM-JTQLQIEISA-N 0 1 254.399 2.783 20 30 CFEDMN C=CCCCCCNC(=O)N(C)[C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000654665814 413949628 /nfs/dbraw/zinc/94/96/28/413949628.db2.gz QLCZEQPDABLSRF-GJZGRUSLSA-N 0 1 281.444 2.857 20 30 CFEDMN C=CCCn1cc(CN[C@@H]2CC[C@@H]2c2ccccc2)nn1 ZINC000657715993 413886842 /nfs/dbraw/zinc/88/68/42/413886842.db2.gz PPYLASDZNQMCCL-IAGOWNOFSA-N 0 1 282.391 2.890 20 30 CFEDMN C=CCCCCNC(=O)N[C@@H]1CCC[N@H+]2CCCC[C@@H]12 ZINC000654533709 413895198 /nfs/dbraw/zinc/89/51/98/413895198.db2.gz MRPREPWXHNIMCL-CABCVRRESA-N 0 1 279.428 2.659 20 30 CFEDMN C=CCCCCNC(=O)N[C@@H]1CCC[N@H+]2CCCC[C@H]12 ZINC000654533711 413896640 /nfs/dbraw/zinc/89/66/40/413896640.db2.gz MRPREPWXHNIMCL-HUUCEWRRSA-N 0 1 279.428 2.659 20 30 CFEDMN C=C(C)C[N@@H+](CC(=O)[O-])Cc1ccc(Cl)cc1 ZINC000652458993 413961093 /nfs/dbraw/zinc/96/10/93/413961093.db2.gz KVVUNHSFEHDPGL-UHFFFAOYSA-N 0 1 253.729 2.803 20 30 CFEDMN C=CCN1CC[C@@H](N[C@H](c2ccccc2F)C(C)C)C1=O ZINC000661482759 413999738 /nfs/dbraw/zinc/99/97/38/413999738.db2.gz COUHAXMNKCTQPE-CVEARBPZSA-N 0 1 290.382 2.899 20 30 CFEDMN C[C@@H]1CN(CC#Cc2ccc(Cl)cc2)C[C@H](C)[C@H]1O ZINC000661632297 414099831 /nfs/dbraw/zinc/09/98/31/414099831.db2.gz SJZSPGZQFYCOMZ-VIKVFOODSA-N 0 1 277.795 2.640 20 30 CFEDMN C=CCN(Cc1ccc(S(C)(=O)=O)cc1)C(C)(C)C ZINC000661759743 414198251 /nfs/dbraw/zinc/19/82/51/414198251.db2.gz JWRDACABZGFKJT-UHFFFAOYSA-N 0 1 281.421 2.877 20 30 CFEDMN COc1ccc(C#N)cc1CN1CCC2(CCCC2=O)CC1 ZINC000661959334 414310783 /nfs/dbraw/zinc/31/07/83/414310783.db2.gz NTXSVCMHUNJEKD-UHFFFAOYSA-N 0 1 298.386 2.902 20 30 CFEDMN COc1ccc(CN2CCC3(CCCC3=O)CC2)cc1C#N ZINC000661961082 414311837 /nfs/dbraw/zinc/31/18/37/414311837.db2.gz WTCWGTDFJYZNSS-UHFFFAOYSA-N 0 1 298.386 2.902 20 30 CFEDMN C=CCCn1cc(CN2CCC[C@H](C3CCC3)C2)nn1 ZINC000662042421 414380799 /nfs/dbraw/zinc/38/07/99/414380799.db2.gz GGVJUHJWBKKTGZ-HNNXBMFYSA-N 0 1 274.412 2.866 20 30 CFEDMN C=C[C@H](CO)N[C@H](C)C(=O)Nc1ccccc1[C@@H](C)CC ZINC000662167506 414439813 /nfs/dbraw/zinc/43/98/13/414439813.db2.gz GXVUCRKQOMTBFQ-BFHYXJOUSA-N 0 1 290.407 2.664 20 30 CFEDMN C=CCCCC[C@H](C)[NH2+]Cc1nnc([C@H]2CCCO2)[n-]1 ZINC000655795766 414440386 /nfs/dbraw/zinc/44/03/86/414440386.db2.gz BEGPTEHUSGWVEQ-QWHCGFSZSA-N 0 1 278.400 2.881 20 30 CFEDMN C=C[C@H](CO)NCc1cc(Cl)cc(Br)c1 ZINC000662168630 414441159 /nfs/dbraw/zinc/44/11/59/414441159.db2.gz OBUIUDDTWHYDTN-LLVKDONJSA-N 0 1 290.588 2.739 20 30 CFEDMN C=C1C[C@H]2CC[C@@H](C1)N2Cc1nc2ccc(OC)nc2[nH]1 ZINC000662090500 414403234 /nfs/dbraw/zinc/40/32/34/414403234.db2.gz PIKCVNZIMIOBJN-TXEJJXNPSA-N 0 1 284.363 2.650 20 30 CFEDMN C=CCCn1cc(-c2nc3ccc(CC)cc3[nH]2)nn1 ZINC000656486166 414590832 /nfs/dbraw/zinc/59/08/32/414590832.db2.gz UPPGXBKQBOFVRI-UHFFFAOYSA-N 0 1 267.336 2.960 20 30 CFEDMN C=CC[C@@H]1CCCN(C(=O)[C@H]2NCCc3ccccc32)C1 ZINC000662857216 414622083 /nfs/dbraw/zinc/62/20/83/414622083.db2.gz IIWHIUUDLPUVPM-PBHICJAKSA-N 0 1 284.403 2.688 20 30 CFEDMN C=CC[C@@H]1CCCN(C(=O)[C@@H](N)c2ccc(C)cc2)C1 ZINC000662857085 414622199 /nfs/dbraw/zinc/62/21/99/414622199.db2.gz CXIKVIDAUVTGSN-ZBFHGGJFSA-N 0 1 272.392 2.810 20 30 CFEDMN C=C1C[C@H]2CC[C@@H](C1)[N@@H+]2CCOc1ccccc1C(=O)[O-] ZINC000659801860 414562060 /nfs/dbraw/zinc/56/20/60/414562060.db2.gz LIKPFOMPRQGDEF-OKILXGFUSA-N 0 1 287.359 2.947 20 30 CFEDMN C=C1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1cc(C)c(C(=O)[O-])o1 ZINC000659802540 414562132 /nfs/dbraw/zinc/56/21/32/414562132.db2.gz XWGAHSDIVWMXCI-TXEJJXNPSA-N 0 1 261.321 2.969 20 30 CFEDMN C=CCCCCCN(C)C(=O)c1cc(C(C)(C)N)no1 ZINC000662612578 414575083 /nfs/dbraw/zinc/57/50/83/414575083.db2.gz UYSXYHRNECUXMI-UHFFFAOYSA-N 0 1 279.384 2.687 20 30 CFEDMN C[C@H](C#N)Sc1nc(CCC2CCCC2)n[nH]1 ZINC000071833772 176273727 /nfs/dbraw/zinc/27/37/27/176273727.db2.gz NYPCJCYDNRBRTM-SECBINFHSA-N 0 1 250.371 2.932 20 30 CFEDMN C[C@H](C#N)Sc1n[nH]c(CCC2CCCC2)n1 ZINC000071833772 176273729 /nfs/dbraw/zinc/27/37/29/176273729.db2.gz NYPCJCYDNRBRTM-SECBINFHSA-N 0 1 250.371 2.932 20 30 CFEDMN C=CCN(CC=C)CCc1nc(-c2ccccc2)no1 ZINC000077313998 177251929 /nfs/dbraw/zinc/25/19/29/177251929.db2.gz WLZJWMXRUJFEBN-UHFFFAOYSA-N 0 1 269.348 2.953 20 30 CFEDMN N#CCC(=O)N1CCC[C@H]1c1nc2ccc(Cl)cc2[nH]1 ZINC000335003066 225392166 /nfs/dbraw/zinc/39/21/66/225392166.db2.gz VUOFWYLFMYDTCV-LBPRGKRZSA-N 0 1 288.738 2.793 20 30 CFEDMN N#CC1(CN2CCC(Cc3ccccc3CO)CC2)CC1 ZINC000347667889 226216352 /nfs/dbraw/zinc/21/63/52/226216352.db2.gz HBTLFODXQCFTTC-UHFFFAOYSA-N 0 1 284.403 2.737 20 30 CFEDMN Cc1n[nH]c(CCNC(=O)[C@@]2(C)CCCc3ccccc32)n1 ZINC000329077071 227284348 /nfs/dbraw/zinc/28/43/48/227284348.db2.gz BCBXNFKQGJVZCT-KRWDZBQOSA-N 0 1 298.390 2.906 20 30 CFEDMN C[C@]1(NC(=O)Cc2[nH]nc3ccccc32)CCCOC1 ZINC000329168385 227337536 /nfs/dbraw/zinc/33/75/36/227337536.db2.gz JBFOHCBPYVMXDX-HNNXBMFYSA-N 0 1 273.336 2.631 20 30 CFEDMN C[C@@H]1OCCC[C@@H]1C(=O)Nc1cccc(-c2cn[nH]n2)c1 ZINC000330142036 228048406 /nfs/dbraw/zinc/04/84/06/228048406.db2.gz XZDXZAVRVDOEOD-GWCFXTLKSA-N 0 1 286.335 2.875 20 30 CFEDMN NC(=O)[C@@H]1CCC[C@H](NC(=O)[C@@H]2CCCN2C2CC2)C1 ZINC000330212543 228067967 /nfs/dbraw/zinc/06/79/67/228067967.db2.gz DRGLNFDCLSAKCC-MDZLAQPJSA-N 0 1 279.384 2.664 20 30 CFEDMN N#CCC1CCN([C@@H]2CCCN(c3ccccc3)C2=O)CC1 ZINC000335978718 228173043 /nfs/dbraw/zinc/17/30/43/228173043.db2.gz WCMJJOKVCQLDFW-QGZVFWFLSA-N 0 1 297.402 2.808 20 30 CFEDMN N#CCCC[C@@H](NC(=O)CCc1cnc[nH]1)c1ccccc1 ZINC000352169072 228191350 /nfs/dbraw/zinc/19/13/50/228191350.db2.gz XOOQOJIDKMUSGW-MRXNPFEDSA-N 0 1 296.374 2.894 20 30 CFEDMN C=CCCCCCN(C)C(=O)c1coc(CN)c1 ZINC000187807570 260060031 /nfs/dbraw/zinc/06/00/31/260060031.db2.gz NGPNDQWOCXKVSS-UHFFFAOYSA-N 0 1 250.342 2.557 20 30 CFEDMN C=CCC[C@@H](O)C[N@H+]1CCC[C@@H]1c1nccs1 ZINC000370504496 260066459 /nfs/dbraw/zinc/06/64/59/260066459.db2.gz IRBYCZNBMXKFHQ-VXGBXAGGSA-N 0 1 252.383 2.607 20 30 CFEDMN C=CCC[C@@H](O)CN1CCC[C@@H]1c1nccs1 ZINC000370504496 260066460 /nfs/dbraw/zinc/06/64/60/260066460.db2.gz IRBYCZNBMXKFHQ-VXGBXAGGSA-N 0 1 252.383 2.607 20 30 CFEDMN C=CCC1(C(=O)NCCN2CCc3ccccc3C2)CCC1 ZINC000188056393 260070115 /nfs/dbraw/zinc/07/01/15/260070115.db2.gz PKRRTMVATXRODR-UHFFFAOYSA-N 0 1 298.430 2.907 20 30 CFEDMN CCC(N)=NOCc1csc(Br)c1 ZINC000299357688 260183968 /nfs/dbraw/zinc/18/39/68/260183968.db2.gz UFMOOWJQLFVYFN-UHFFFAOYSA-N 0 1 263.160 2.709 20 30 CFEDMN COc1ccccc1CN1CCN(CCCCC#N)CC1 ZINC000076343040 260293095 /nfs/dbraw/zinc/29/30/95/260293095.db2.gz DRDIGEPCIIXZTC-UHFFFAOYSA-N 0 1 287.407 2.507 20 30 CFEDMN CC#CCCN1CCO[C@@]2(CCc3ccccc32)C1 ZINC000157034642 260820104 /nfs/dbraw/zinc/82/01/04/260820104.db2.gz FWLNYLMAMODZLI-KRWDZBQOSA-N 0 1 255.361 2.574 20 30 CFEDMN CC(C)c1csc(C(C#N)C(=O)NC(C)(C)C)n1 ZINC000155767865 261107522 /nfs/dbraw/zinc/10/75/22/261107522.db2.gz OEMKCVIALWVIAT-VIFPVBQESA-N 0 1 265.382 2.788 20 30 CFEDMN N#CCSCC(=O)Nc1ccc2nc(C(F)F)[nH]c2c1 ZINC000179825304 261818363 /nfs/dbraw/zinc/81/83/63/261818363.db2.gz LRYIUHRISUHWTD-UHFFFAOYSA-N 0 1 296.302 2.696 20 30 CFEDMN CC[C@H](CC#N)N[C@H](C)CC(=O)Nc1ccc(OC)cc1 ZINC000184084350 262008400 /nfs/dbraw/zinc/00/84/00/262008400.db2.gz KRFUILWNYSZBGK-CHWSQXEVSA-N 0 1 289.379 2.694 20 30 CFEDMN Cc1nc(C(F)(F)F)c(CON=C(N)C(C)C)s1 ZINC000185442454 262054091 /nfs/dbraw/zinc/05/40/91/262054091.db2.gz WXMLIWMGBNVOFI-UHFFFAOYSA-N 0 1 281.303 2.915 20 30 CFEDMN CC(C)C(N)=NOCCCOCc1ccccc1 ZINC000185448701 262055238 /nfs/dbraw/zinc/05/52/38/262055238.db2.gz JEILSBPXQXASCH-UHFFFAOYSA-N 0 1 250.342 2.538 20 30 CFEDMN CC#CC[N@@H+](C)Cc1cccc(Br)c1 ZINC000339765744 262174785 /nfs/dbraw/zinc/17/47/85/262174785.db2.gz JRRKYYFAOKOUCE-UHFFFAOYSA-N 0 1 252.155 2.904 20 30 CFEDMN CC#CCN(C)Cc1cccc(Br)c1 ZINC000339765744 262174786 /nfs/dbraw/zinc/17/47/86/262174786.db2.gz JRRKYYFAOKOUCE-UHFFFAOYSA-N 0 1 252.155 2.904 20 30 CFEDMN CC(C)C(N)=NOCc1ccn(-c2ccc(F)cc2F)n1 ZINC000192190488 262199536 /nfs/dbraw/zinc/19/95/36/262199536.db2.gz BUAZJHJRIRIPHI-UHFFFAOYSA-N 0 1 294.305 2.595 20 30 CFEDMN C(#Cc1ccccc1)CN1CCC([C@@H]2CCCO2)CC1 ZINC000364587222 262254249 /nfs/dbraw/zinc/25/42/49/262254249.db2.gz BGDMUITYAWDACT-SFHVURJKSA-N 0 1 269.388 2.929 20 30 CFEDMN C=CC1CCN(CC(=O)N[C@H](C)c2ccc(F)cc2)CC1 ZINC000111257799 262258233 /nfs/dbraw/zinc/25/82/33/262258233.db2.gz BRHLRUDMFDFJSY-CYBMUJFWSA-N 0 1 290.382 2.901 20 30 CFEDMN C=CC1CCN(CC(=O)Nc2ccccc2C)CC1 ZINC000111259806 262258810 /nfs/dbraw/zinc/25/88/10/262258810.db2.gz AQIKXVXNKPFIAE-UHFFFAOYSA-N 0 1 258.365 2.832 20 30 CFEDMN C=C(C)CN(C)CC(=O)N1CCc2[nH]c3ccccc3c2C1 ZINC000364872624 262263645 /nfs/dbraw/zinc/26/36/45/262263645.db2.gz MWGKOFVDZJCHHQ-UHFFFAOYSA-N 0 1 297.402 2.561 20 30 CFEDMN N#CCC[C@@H](C#N)CNC[C@H]1CCCCC1(F)F ZINC000521412866 262315911 /nfs/dbraw/zinc/31/59/11/262315911.db2.gz NOANBUIVDFZLLR-NWDGAFQWSA-N 0 1 255.312 2.845 20 30 CFEDMN CCOC(=O)C(C)(C)N(C)CCCCC(C)(C)C#N ZINC000339786248 262673555 /nfs/dbraw/zinc/67/35/55/262673555.db2.gz FKKVMCDVLJRXIS-UHFFFAOYSA-N 0 1 268.401 2.980 20 30 CFEDMN CC(C)(C#N)CCN1CCN(Cc2cccc(F)c2)CC1 ZINC000271948616 263000483 /nfs/dbraw/zinc/00/04/83/263000483.db2.gz AMUKRLUXMQWBGN-UHFFFAOYSA-N 0 1 289.398 2.883 20 30 CFEDMN CC(C)(C)[C@H]1CCN(Cc2ccc(C#N)cc2F)C[C@@H]1O ZINC000272357372 263003404 /nfs/dbraw/zinc/00/34/04/263003404.db2.gz RQAWTKBWHCCWKL-HOCLYGCPSA-N 0 1 290.382 2.926 20 30 CFEDMN CC1(C#N)CCN(CCOc2ccc(C#N)cc2)CC1 ZINC000272628090 263007787 /nfs/dbraw/zinc/00/77/87/263007787.db2.gz VWPYNUJSSZNCKS-UHFFFAOYSA-N 0 1 269.348 2.563 20 30 CFEDMN C=CCOc1ccc(Cc2nc(C3(N)CCCC3)no2)cc1 ZINC000414627777 263016720 /nfs/dbraw/zinc/01/67/20/263016720.db2.gz MQSUHYRIUFHDCZ-UHFFFAOYSA-N 0 1 299.374 2.953 20 30 CFEDMN Cc1cccc(N2CCN([C@H](C)CCC#N)CC2)c1 ZINC000276315814 263036043 /nfs/dbraw/zinc/03/60/43/263036043.db2.gz NIJUKZKVZJRFMM-OAHLLOKOSA-N 0 1 257.381 2.809 20 30 CFEDMN C[C@@H](CCC#N)Sc1nc(-c2ccccc2O)n[nH]1 ZINC000277999959 263045030 /nfs/dbraw/zinc/04/50/30/263045030.db2.gz OCQPHHJKMGPUTR-VIFPVBQESA-N 0 1 274.349 2.962 20 30 CFEDMN COc1ccccc1N1CCN([C@@H]2CC[C@@H](C#N)C2)CC1 ZINC000278502552 263048482 /nfs/dbraw/zinc/04/84/82/263048482.db2.gz AKRMZHGWTBOTGM-HUUCEWRRSA-N 0 1 285.391 2.509 20 30 CFEDMN CC(C)(C)c1n[nH]c(S[C@@H]2CC[C@@H](C#N)C2)n1 ZINC000278662134 263049350 /nfs/dbraw/zinc/04/93/50/263049350.db2.gz XCKHYFXDDVBODT-RKDXNWHRSA-N 0 1 250.371 2.887 20 30 CFEDMN CC(C)(C)c1nc(S[C@@H]2CC[C@@H](C#N)C2)n[nH]1 ZINC000278662134 263049351 /nfs/dbraw/zinc/04/93/51/263049351.db2.gz XCKHYFXDDVBODT-RKDXNWHRSA-N 0 1 250.371 2.887 20 30 CFEDMN COc1ccc(CN(C)[C@H]2CC[C@@H](C#N)C2)c(OC)c1 ZINC000278763474 263050610 /nfs/dbraw/zinc/05/06/10/263050610.db2.gz XYRQOQIGSKQJRQ-OCCSQVGLSA-N 0 1 274.364 2.828 20 30 CFEDMN COc1ccc(CN(C)[C@@H]2CC[C@@H](C#N)C2)c(OC)c1 ZINC000278763477 263050694 /nfs/dbraw/zinc/05/06/94/263050694.db2.gz XYRQOQIGSKQJRQ-TZMCWYRMSA-N 0 1 274.364 2.828 20 30 CFEDMN CN(CCCOCc1ccccc1)C[C@@H](C#N)CCC#N ZINC000281438988 263069070 /nfs/dbraw/zinc/06/90/70/263069070.db2.gz PUGOEHUTULNLHE-QGZVFWFLSA-N 0 1 285.391 2.969 20 30 CFEDMN CC(C)(C)OC(=O)Nc1ncc(CNCCCC#N)s1 ZINC000282038936 263073925 /nfs/dbraw/zinc/07/39/25/263073925.db2.gz ORLPYBVSKGSZIJ-UHFFFAOYSA-N 0 1 296.396 2.883 20 30 CFEDMN CC(C)(C)CN(CCC#N)C(=O)c1ccc2cncn2c1 ZINC000283951760 263085069 /nfs/dbraw/zinc/08/50/69/263085069.db2.gz LFRPIZUVKMSTMB-UHFFFAOYSA-N 0 1 284.363 2.736 20 30 CFEDMN COc1ccc(N2CCN([C@H]3CC[C@@H](C#N)C3)CC2)cc1 ZINC000283978436 263085258 /nfs/dbraw/zinc/08/52/58/263085258.db2.gz MEWDVQSMMJUSFF-ZBFHGGJFSA-N 0 1 285.391 2.509 20 30 CFEDMN C[C@H](C(=O)N(C)CCC#N)N1CCC=C(c2ccccc2)C1 ZINC000283998912 263085339 /nfs/dbraw/zinc/08/53/39/263085339.db2.gz DMOHGZPQQRUTFY-OAHLLOKOSA-N 0 1 297.402 2.536 20 30 CFEDMN C=C(CN[C@H](c1nnc[nH]1)c1cccnc1)c1ccccc1 ZINC000340206847 263093244 /nfs/dbraw/zinc/09/32/44/263093244.db2.gz PADNNUGJMSYYLW-INIZCTEOSA-N 0 1 291.358 2.592 20 30 CFEDMN N#C[C@H](c1ccccc1)N1CCN(CCCCF)CC1 ZINC000285683746 263094889 /nfs/dbraw/zinc/09/48/89/263094889.db2.gz QRSWTJSVQKXDBJ-MRXNPFEDSA-N 0 1 275.371 2.619 20 30 CFEDMN N#C[C@@H](c1ccccc1)N1CCN(CCCCF)CC1 ZINC000285683741 263095011 /nfs/dbraw/zinc/09/50/11/263095011.db2.gz QRSWTJSVQKXDBJ-INIZCTEOSA-N 0 1 275.371 2.619 20 30 CFEDMN CC[C@@](C)(C#N)C(=O)Nc1ccc2c(C)[nH]nc2c1 ZINC000285709637 263095193 /nfs/dbraw/zinc/09/51/93/263095193.db2.gz DQPIVMPDOHFQKJ-AWEZNQCLSA-N 0 1 256.309 2.750 20 30 CFEDMN N#CCCCNc1cc(C2CC2)nc(NCCCC#N)n1 ZINC000286969428 263100394 /nfs/dbraw/zinc/10/03/94/263100394.db2.gz SJQLPANEBCXUCD-UHFFFAOYSA-N 0 1 284.367 2.785 20 30 CFEDMN N#CCSCCC[N@H+]1CCCc2occc2C1 ZINC000288674626 263105458 /nfs/dbraw/zinc/10/54/58/263105458.db2.gz CKYDWNZLAGNJML-UHFFFAOYSA-N 0 1 250.367 2.675 20 30 CFEDMN N#CCCCC(=O)NC[C@@H](c1ccco1)N1CCCCC1 ZINC000291054709 263119646 /nfs/dbraw/zinc/11/96/46/263119646.db2.gz ZTSIMJAWZVVIOF-AWEZNQCLSA-N 0 1 289.379 2.617 20 30 CFEDMN Cc1nc2c(s1)[C@@H]([N@@H+](C)CCOCCC#N)CCC2 ZINC000293902266 263152062 /nfs/dbraw/zinc/15/20/62/263152062.db2.gz WBOAFLSELZHQPB-ZDUSSCGKSA-N 0 1 279.409 2.691 20 30 CFEDMN COc1ccccc1CN1CCN([C@H](C)CCC#N)CC1 ZINC000298142818 263215801 /nfs/dbraw/zinc/21/58/01/263215801.db2.gz OJSGIQDFPFVIOA-OAHLLOKOSA-N 0 1 287.407 2.505 20 30 CFEDMN Cc1ccc(N(CCC#N)C(=O)CN2CCC(C)CC2)cc1 ZINC000298671960 263223714 /nfs/dbraw/zinc/22/37/14/263223714.db2.gz JYOAXGIPAFNTTD-UHFFFAOYSA-N 0 1 299.418 2.974 20 30 CFEDMN C[C@@H](CCC#N)N(C)Cc1ccc([S@@](C)=O)cc1 ZINC000299355506 263240378 /nfs/dbraw/zinc/24/03/78/263240378.db2.gz RBOZZUKVQYGBJB-KPZWWZAWSA-N 0 1 264.394 2.548 20 30 CFEDMN C=C(C)CN(CC)[C@H](C)C(=O)Nc1cccc(C#N)c1 ZINC000120104901 263281120 /nfs/dbraw/zinc/28/11/20/263281120.db2.gz LLZFIXHTFAQBAD-CYBMUJFWSA-N 0 1 271.364 2.783 20 30 CFEDMN CCC[C@@H]1CCCN(CC(=O)NC2(C#N)CCCCC2)C1 ZINC000120927740 263287028 /nfs/dbraw/zinc/28/70/28/263287028.db2.gz ZKAKEHVJBSITHB-OAHLLOKOSA-N 0 1 291.439 2.841 20 30 CFEDMN C=CCCC[C@H](C)N1CCN(C(=O)N(CC)CC)CC1 ZINC000340761435 263304784 /nfs/dbraw/zinc/30/47/84/263304784.db2.gz PMXKIWHEAWIUTI-HNNXBMFYSA-N 0 1 281.444 2.811 20 30 CFEDMN CC#CCN(C)C(=O)c1ccc(C[N@H+](CC)C2CC2)cc1 ZINC000341071286 263317411 /nfs/dbraw/zinc/31/74/11/263317411.db2.gz YPDQBXUVAXQUDI-UHFFFAOYSA-N 0 1 284.403 2.766 20 30 CFEDMN C=CC[C@H](C(=O)N1CCN(CC)C[C@@H]1C)c1ccccc1 ZINC000341837499 263356815 /nfs/dbraw/zinc/35/68/15/263356815.db2.gz BHLJBFYUTRXHEY-RDJZCZTQSA-N 0 1 286.419 2.899 20 30 CFEDMN C=CCN(CC=C)C(=O)NCc1nc2ccc(C)cc2[nH]1 ZINC000342192634 263397839 /nfs/dbraw/zinc/39/78/39/263397839.db2.gz VEXVYKDKFOFPNX-UHFFFAOYSA-N 0 1 284.363 2.755 20 30 CFEDMN C[C@@H]1COCCN(CC#Cc2ccc(Cl)cc2)C1 ZINC000334166847 263490697 /nfs/dbraw/zinc/49/06/97/263490697.db2.gz AFNIBCOSEJAWLF-ZDUSSCGKSA-N 0 1 263.768 2.660 20 30 CFEDMN CC[C@H](NC(=O)c1ccc2cncn2c1)C1CCOCC1 ZINC000328842388 263877958 /nfs/dbraw/zinc/87/79/58/263877958.db2.gz VWJMWFHKDQUVHO-HNNXBMFYSA-N 0 1 287.363 2.844 20 30 CFEDMN C#Cc1ccc(NC(=O)N2C[C@@H](C)N(CC)C[C@@H]2C)cc1 ZINC000934932361 649857420 /nfs/dbraw/zinc/85/74/20/649857420.db2.gz GJWMCJFHMJUIMY-KGLIPLIRSA-N 0 1 285.391 2.614 20 30 CFEDMN C=CCCC[C@H](C)[NH+]=C([O-])N[C@@H]1CCc2c[nH]nc2C1 ZINC000330672095 264013486 /nfs/dbraw/zinc/01/34/86/264013486.db2.gz WYXBAZZJLGUKOA-WCQYABFASA-N 0 1 276.384 2.515 20 30 CFEDMN C[C@H](NC(=O)Nc1ncc(C(C)(C)C)s1)c1nnc[nH]1 ZINC000330708562 264020491 /nfs/dbraw/zinc/02/04/91/264020491.db2.gz NRMKBHYJWFTFGT-ZETCQYMHSA-N 0 1 294.384 2.646 20 30 CFEDMN Cc1cnc(C(=O)Nc2nnc(C(C)C)s2)c(O)c1 ZINC000330873292 264059176 /nfs/dbraw/zinc/05/91/76/264059176.db2.gz HTUCIAKEUCWNSQ-UHFFFAOYSA-N 0 1 278.337 2.707 20 30 CFEDMN Cc1[nH]ncc1CNC(=O)N[C@@H]1CCCC[C@H]1C(C)C ZINC000330987642 264104528 /nfs/dbraw/zinc/10/45/28/264104528.db2.gz LROKYCPQHLJGLA-UONOGXRCSA-N 0 1 278.400 2.937 20 30 CFEDMN CCCN(C)C([O-])=[NH+][C@@H]1CCc2cnn(C(C)C)c2C1 ZINC000331125457 264132382 /nfs/dbraw/zinc/13/23/82/264132382.db2.gz YPZCUXVGWJQLAQ-CYBMUJFWSA-N 0 1 278.400 2.577 20 30 CFEDMN CC(C)(C)CCNC(=O)N1CCC(c2cnc[nH]2)CC1 ZINC000331234452 264174644 /nfs/dbraw/zinc/17/46/44/264174644.db2.gz SIJWVSOGEZBCET-UHFFFAOYSA-N 0 1 278.400 2.939 20 30 CFEDMN C[C@@H](O)[C@@H]1CCCCN1CC#Cc1cccc(Cl)c1 ZINC000160055506 264223833 /nfs/dbraw/zinc/22/38/33/264223833.db2.gz OIQQUIUIIFZXLT-CJNGLKHVSA-N 0 1 277.795 2.927 20 30 CFEDMN COC(=O)[C@H](CCN1CCC(C#N)CC1)c1ccccc1 ZINC000425402914 264283502 /nfs/dbraw/zinc/28/35/02/264283502.db2.gz SDSDXWBRGCNHNF-MRXNPFEDSA-N 0 1 286.375 2.569 20 30 CFEDMN C=CCCCN(C)CC(=O)Nc1ccc(F)cc1F ZINC000076736768 264344092 /nfs/dbraw/zinc/34/40/92/264344092.db2.gz IFGJJYITUASNDB-UHFFFAOYSA-N 0 1 268.307 2.801 20 30 CFEDMN COc1ccccc1CNCc1cc(C#N)cs1 ZINC000093492010 265182436 /nfs/dbraw/zinc/18/24/36/265182436.db2.gz PGKFSPQCBXBSAZ-UHFFFAOYSA-N 0 1 258.346 2.918 20 30 CFEDMN O=C(Nc1ccc2nc[nH]c2c1)[C@@H]1C[C@]12CCOC2 ZINC000329722386 265912736 /nfs/dbraw/zinc/91/27/36/265912736.db2.gz FGUOLIUUPVNQES-HZMBPMFUSA-N 0 1 257.293 2.578 20 30 CFEDMN N#CCC[C@@H](C#N)CNCCc1cccc2cccnc21 ZINC000514598747 266012540 /nfs/dbraw/zinc/01/25/40/266012540.db2.gz JTQRQDDSIPXRAA-AWEZNQCLSA-N 0 1 278.359 2.810 20 30 CFEDMN C=CCOCc1nc(-c2ccc(F)c(CN(C)C)c2)no1 ZINC000357070864 266242167 /nfs/dbraw/zinc/24/21/67/266242167.db2.gz UXVPGGLORQXLOS-UHFFFAOYSA-N 0 1 291.326 2.640 20 30 CFEDMN CC(C)(CCC#N)CNC(=O)c1[nH]nc2c1CCCCC2 ZINC000359758661 266635408 /nfs/dbraw/zinc/63/54/08/266635408.db2.gz RCJUEFUKECJJLK-UHFFFAOYSA-N 0 1 288.395 2.738 20 30 CFEDMN C=C(C)CN(CC)C(=O)[C@@H](C)N1CCC(C(F)F)CC1 ZINC000361700134 266872723 /nfs/dbraw/zinc/87/27/23/266872723.db2.gz USKZZSZVQRMSGP-GFCCVEGCSA-N 0 1 288.382 2.777 20 30 CFEDMN C[C@@H](c1ccccc1)N1CCN(c2ccc(C#N)cn2)CC1 ZINC000193772351 267002612 /nfs/dbraw/zinc/00/26/12/267002612.db2.gz GQMXFRRNOBRNEL-HNNXBMFYSA-N 0 1 292.386 2.836 20 30 CFEDMN N#C[C@@H](c1ccccc1)[C@@H]1CCCN1CCn1ccnc1 ZINC000362727378 267039460 /nfs/dbraw/zinc/03/94/60/267039460.db2.gz RRUQNGDNKZXOPB-IRXDYDNUSA-N 0 1 280.375 2.655 20 30 CFEDMN CC(=O)NCc1ccc([C@@H]2CCC[N@H+]2CCCCC#N)o1 ZINC000368761364 267202504 /nfs/dbraw/zinc/20/25/04/267202504.db2.gz JZZNAYJRUWNADN-HNNXBMFYSA-N 0 1 289.379 2.746 20 30 CFEDMN CC(=O)NCc1ccc([C@H]2CCC[N@H+]2CCCCC#N)o1 ZINC000368761370 267202837 /nfs/dbraw/zinc/20/28/37/267202837.db2.gz JZZNAYJRUWNADN-OAHLLOKOSA-N 0 1 289.379 2.746 20 30 CFEDMN C=CCN(C(=O)[C@@H]1CCc2[nH]c(C(C)C)nc2C1)C1CC1 ZINC000369639245 267257455 /nfs/dbraw/zinc/25/74/55/267257455.db2.gz MCWJHWCIWWWLLY-GFCCVEGCSA-N 0 1 287.407 2.815 20 30 CFEDMN C#CCOc1ccccc1CNCc1cnc2n1CCCC2 ZINC000370263423 267305082 /nfs/dbraw/zinc/30/50/82/267305082.db2.gz XRIWTRSBZDJJPJ-UHFFFAOYSA-N 0 1 295.386 2.521 20 30 CFEDMN CC(C)[C@](C)(C#N)NC(=O)CN1C[C@H]2CCCCCC[C@H]21 ZINC000370545431 267328183 /nfs/dbraw/zinc/32/81/83/267328183.db2.gz FCMVJOUZPGCQJY-INMHGKMJSA-N 0 1 291.439 2.695 20 30 CFEDMN C=CCN1CC[C@]12CCCN(C(=O)OC(C)(C)C)C2 ZINC000370606140 267330868 /nfs/dbraw/zinc/33/08/68/267330868.db2.gz HYGFHBAIQMJXNW-HNNXBMFYSA-N 0 1 266.385 2.648 20 30 CFEDMN CC#CCN[C@@H](C)c1cnn(Cc2ccccc2)c1 ZINC000119405835 267332486 /nfs/dbraw/zinc/33/24/86/267332486.db2.gz LWRFMOSIGRLBCW-AWEZNQCLSA-N 0 1 253.349 2.605 20 30 CFEDMN C=C[C@@H]1CCCCN1C(=O)c1ccc2cncn2c1 ZINC000336388515 273487416 /nfs/dbraw/zinc/48/74/16/273487416.db2.gz CCRUGNAFEFDRSP-CYBMUJFWSA-N 0 1 255.321 2.515 20 30 CFEDMN C[C@@H]1CCCCN1Cc1cnc2ccc(C#N)cn12 ZINC000334322199 274286841 /nfs/dbraw/zinc/28/68/41/274286841.db2.gz XRKYBKOWGFVLFJ-GFCCVEGCSA-N 0 1 254.337 2.580 20 30 CFEDMN N#Cc1ccc(Cl)cc1N1CCN(C2CCC2)CC1 ZINC000265595531 274923027 /nfs/dbraw/zinc/92/30/27/274923027.db2.gz YVSUUVYASFZHCJ-UHFFFAOYSA-N 0 1 275.783 2.886 20 30 CFEDMN N#Cc1cnc2ccccc2c1N1CCN(C2CCC2)CC1 ZINC000172760221 274930379 /nfs/dbraw/zinc/93/03/79/274930379.db2.gz UXOSLHFDGKOEHT-UHFFFAOYSA-N 0 1 292.386 2.781 20 30 CFEDMN CC(C)n1ncc2c1C[C@H]([NH+]=C([O-])N(C)C1CCC1)CC2 ZINC000330033416 276089334 /nfs/dbraw/zinc/08/93/34/276089334.db2.gz AFABXIWEDQZPST-CYBMUJFWSA-N 0 1 290.411 2.720 20 30 CFEDMN CN1CC[C@H](NCC2(C#N)CC2)[C@@H]1c1ccc(F)c(F)c1 ZINC000352115495 276964502 /nfs/dbraw/zinc/96/45/02/276964502.db2.gz LRLKJYRXZITGEU-GJZGRUSLSA-N 0 1 291.345 2.603 20 30 CFEDMN CC(C)(C#N)CCN1CCCC[C@H]1[C@@H](O)C(F)(F)F ZINC000345761381 277121033 /nfs/dbraw/zinc/12/10/33/277121033.db2.gz VVHKJPONJUQIJW-WDEREUQCSA-N 0 1 278.318 2.704 20 30 CFEDMN CN1CC[C@H](Nc2ccc(C#N)cn2)[C@H]1c1ccc(F)cc1 ZINC000301843045 277173639 /nfs/dbraw/zinc/17/36/39/277173639.db2.gz KKAYLDMOMVQHGN-DOTOQJQBSA-N 0 1 296.349 2.950 20 30 CFEDMN CN1Cc2ccccc2[C@@H](Nc2cccnc2C#N)C1 ZINC000368115498 277210900 /nfs/dbraw/zinc/21/09/00/277210900.db2.gz RFETUJVBFNILHD-INIZCTEOSA-N 0 1 264.332 2.552 20 30 CFEDMN C[C@@H]1Cc2ccccc2N1C(=O)N[C@H]1CCc2nc[nH]c2C1 ZINC000329743586 278040703 /nfs/dbraw/zinc/04/07/03/278040703.db2.gz QDHOTWPQZFNTJH-YPMHNXCESA-N 0 1 296.374 2.632 20 30 CFEDMN C[C@@H](C(=O)Nc1nc2cccnc2[n-]1)[N@H+]1[C@H](C)CC[C@@H]1C ZINC000330214389 278218157 /nfs/dbraw/zinc/21/81/57/278218157.db2.gz GDJDSHCQQXICIN-AXFHLTTASA-N 0 1 287.367 2.807 20 30 CFEDMN C[C@@H](C(=O)Nc1nc2cccnc2[n-]1)[N@@H+]1[C@H](C)CC[C@@H]1C ZINC000330214389 278218160 /nfs/dbraw/zinc/21/81/60/278218160.db2.gz GDJDSHCQQXICIN-AXFHLTTASA-N 0 1 287.367 2.807 20 30 CFEDMN C[C@@H](N[C@H](C)c1ccc(C#N)cc1)C(=O)N1CCCCC1 ZINC000037749554 278378692 /nfs/dbraw/zinc/37/86/92/278378692.db2.gz DHWPPFUKVWXUCS-ZIAGYGMSSA-N 0 1 285.391 2.610 20 30 CFEDMN CCN(CC(=O)N1CCCC1)[C@H](C)c1ccc(C#N)cc1 ZINC000054340337 279048931 /nfs/dbraw/zinc/04/89/31/279048931.db2.gz QRELAIBAKBWCJU-CQSZACIVSA-N 0 1 285.391 2.564 20 30 CFEDMN C[C@@H]1c2ccccc2CN1C(=O)N[C@H]1CCc2[nH]cnc2C1 ZINC000329641159 279135127 /nfs/dbraw/zinc/13/51/27/279135127.db2.gz CMGQFEIZAQVWHP-YPMHNXCESA-N 0 1 296.374 2.758 20 30 CFEDMN C[C@@H]1c2ccccc2CN1C([O-])=[NH+][C@H]1CCc2nc[nH]c2C1 ZINC000329641159 279135129 /nfs/dbraw/zinc/13/51/29/279135129.db2.gz CMGQFEIZAQVWHP-YPMHNXCESA-N 0 1 296.374 2.758 20 30 CFEDMN C[C@H]1[C@H](C)N(c2ccc(C(F)(F)F)c(C#N)n2)CCN1C ZINC000337023068 280111987 /nfs/dbraw/zinc/11/19/87/280111987.db2.gz SXJPUARYAVAXHP-UWVGGRQHSA-N 0 1 298.312 2.501 20 30 CFEDMN Cc1cc(C#N)ccc1C(=O)N1C[C@@H]2CCCCN2C[C@@H]1C ZINC000335716335 280315828 /nfs/dbraw/zinc/31/58/28/280315828.db2.gz PNUWWYVDKKCINL-HOCLYGCPSA-N 0 1 297.402 2.566 20 30 CFEDMN N#Cc1ccc(CNCCc2nnc(-c3ccccc3)o2)o1 ZINC000129440635 280691419 /nfs/dbraw/zinc/69/14/19/280691419.db2.gz AADPJNRECRZEFR-UHFFFAOYSA-N 0 1 294.314 2.534 20 30 CFEDMN CC[C@H]1CN(CC)CCN1C(=O)[C@@H](C)c1cccc(C#N)c1 ZINC000456390878 281162930 /nfs/dbraw/zinc/16/29/30/281162930.db2.gz WECTYUTWAGRYSN-YOEHRIQHSA-N 0 1 299.418 2.604 20 30 CFEDMN Cc1ccccc1[C@H](CO)NCc1ccc(C#N)cc1 ZINC000538429819 281553394 /nfs/dbraw/zinc/55/33/94/281553394.db2.gz CFRGIJHWQUUMLG-KRWDZBQOSA-N 0 1 266.344 2.690 20 30 CFEDMN N#Cc1ccc(NC(=O)CN2CC[C@@H](CC3CC3)C2)cc1 ZINC000559417291 282006051 /nfs/dbraw/zinc/00/60/51/282006051.db2.gz CSGFPEYHRZXGOY-HNNXBMFYSA-N 0 1 283.375 2.619 20 30 CFEDMN N#Cc1ccc(CNCc2cnn(CC(F)(F)F)c2)cc1 ZINC000315104690 290019129 /nfs/dbraw/zinc/01/91/29/290019129.db2.gz MYDGUMVGGGRSIK-UHFFFAOYSA-N 0 1 294.280 2.607 20 30 CFEDMN Cc1nc2c(n1Cc1c(C#N)cccc1[N+](=O)[O-])CCCC2 ZINC000565240866 290287653 /nfs/dbraw/zinc/28/76/53/290287653.db2.gz HYIPXKRCZJUNEO-UHFFFAOYSA-N 0 1 296.330 2.899 20 30 CFEDMN O=C(N[C@@H]1CCCc2cn[nH]c21)N1C[C@@H]2CCCC[C@H]2C1 ZINC000330111052 295380304 /nfs/dbraw/zinc/38/03/04/295380304.db2.gz ATUOAFNLLDMATD-MELADBBJSA-N 0 1 288.395 2.823 20 30 CFEDMN N#CCC[C@H](C#N)CNC1CC(OCc2ccccc2)C1 ZINC000580141878 327707259 /nfs/dbraw/zinc/70/72/59/327707259.db2.gz JAMIHQOJVQHQDK-KLAILNCOSA-N 0 1 283.375 2.767 20 30 CFEDMN CC(C)(CO)[C@@H](CNC[C@@H](C#N)CCC#N)c1ccccc1 ZINC000562997828 327739971 /nfs/dbraw/zinc/73/99/71/327739971.db2.gz XOTLTWYIRUUWRR-WBVHZDCISA-N 0 1 299.418 2.822 20 30 CFEDMN C=C(C)C[N@H+](CC)[C@@H](C(=O)[O-])c1ccccc1F ZINC000583698442 329069256 /nfs/dbraw/zinc/06/92/56/329069256.db2.gz ANXYQKAOCPTCAP-CYBMUJFWSA-N 0 1 251.301 2.849 20 30 CFEDMN N#C[C@@H]1CC[C@H](N2CCN(c3ccccc3)CC2)C1 ZINC000260581935 328131233 /nfs/dbraw/zinc/13/12/33/328131233.db2.gz YZCVMZQUEOYGJW-ZBFHGGJFSA-N 0 1 255.365 2.501 20 30 CFEDMN COCc1ccc(CNCc2ccc(OCC#N)cc2)o1 ZINC000268786479 328186101 /nfs/dbraw/zinc/18/61/01/328186101.db2.gz KHOIECLUWKVXQY-UHFFFAOYSA-N 0 1 286.331 2.618 20 30 CFEDMN CC(C)[C@H](C#N)NC(=O)C(F)(F)c1c(F)cccc1F ZINC000270263116 328192746 /nfs/dbraw/zinc/19/27/46/328192746.db2.gz WMQLXTFVEDDOMV-JTQLQIEISA-N 0 1 288.244 2.721 20 30 CFEDMN C[C@@H](CCC#N)N(C)Cc1cc(Br)cn1C ZINC000276358558 328217973 /nfs/dbraw/zinc/21/79/73/328217973.db2.gz XYWONSYADNXATL-JTQLQIEISA-N 0 1 284.201 2.912 20 30 CFEDMN COc1cc2c(cc1OC)CN([C@@H]1CC[C@@H](C#N)C1)CC2 ZINC000278591654 328227736 /nfs/dbraw/zinc/22/77/36/328227736.db2.gz LDPYMLSJPPUKTF-IUODEOHRSA-N 0 1 286.375 2.754 20 30 CFEDMN Cc1n[nH]c(C(C)C)c1C(=O)NCc1cccc(C#N)c1 ZINC000159785563 322328181 /nfs/dbraw/zinc/32/81/81/322328181.db2.gz ZHGNZRQQZZCSIA-UHFFFAOYSA-N 0 1 282.347 2.643 20 30 CFEDMN Cc1ccc(-c2n[nH]c(NC(=O)c3ccc(C#N)[nH]3)c2C)o1 ZINC000161469482 322351839 /nfs/dbraw/zinc/35/18/39/322351839.db2.gz DMAIZSKGAVRKBO-UHFFFAOYSA-N 0 1 295.302 2.739 20 30 CFEDMN COc1ccccc1[C@@H]1CC[N@@H+](Cc2ccc(C#N)cn2)C1 ZINC000581139256 325094543 /nfs/dbraw/zinc/09/45/43/325094543.db2.gz ADQPMUQEECQJLU-OAHLLOKOSA-N 0 1 293.370 2.951 20 30 CFEDMN Cc1cc(C[N@H+]2C[C@@H]3CCC[C@@]3(C(=O)[O-])C2)ccc1C#N ZINC000581990659 325166494 /nfs/dbraw/zinc/16/64/94/325166494.db2.gz WMGDSIUXFDMIEQ-DOTOQJQBSA-N 0 1 284.359 2.553 20 30 CFEDMN CN(C(=O)c1cnc(-c2ccccc2)[nH]1)C1(C#N)CCC1 ZINC000558310453 327086511 /nfs/dbraw/zinc/08/65/11/327086511.db2.gz SPHWFOOXCTXIDV-UHFFFAOYSA-N 0 1 280.331 2.595 20 30 CFEDMN C[C@H](C(=O)NCc1ccccc1)N1CCC(CCC#N)CC1 ZINC000566174627 327155714 /nfs/dbraw/zinc/15/57/14/327155714.db2.gz UTYGJGZBJPQMOG-OAHLLOKOSA-N 0 1 299.418 2.707 20 30 CFEDMN C#Cc1cccc(NC(=O)CN(C)CC(C)(C)CCC#N)c1 ZINC000092144048 327188518 /nfs/dbraw/zinc/18/85/18/327188518.db2.gz GOOBKOMWYNDGPU-UHFFFAOYSA-N 0 1 297.402 2.868 20 30 CFEDMN C#CCN1CCC(O)(c2cccc(OC(F)(F)F)c2)CC1 ZINC000363733236 327233502 /nfs/dbraw/zinc/23/35/02/327233502.db2.gz HWADSPRCSRDETB-UHFFFAOYSA-N 0 1 299.292 2.502 20 30 CFEDMN C=CCC[C@H](O)C[N@H+]1CCOC2(C1)CCCCCC2 ZINC000119680947 327246804 /nfs/dbraw/zinc/24/68/04/327246804.db2.gz HQGQOKHWWGJDLI-HNNXBMFYSA-N 0 1 267.413 2.739 20 30 CFEDMN CC(C)n1cc(CN2CCC(CCC#N)CC2)cn1 ZINC000566248059 327259941 /nfs/dbraw/zinc/25/99/41/327259941.db2.gz JZBBZGBJSDUIKE-UHFFFAOYSA-N 0 1 260.385 2.980 20 30 CFEDMN Cc1ccc2[nH]cc(C(=O)N(CCC#N)C(C)C)c(=O)c2c1 ZINC000561098932 327366314 /nfs/dbraw/zinc/36/63/14/327366314.db2.gz JPDCRURCMXLICL-UHFFFAOYSA-N 0 1 297.358 2.601 20 30 CFEDMN N#CCCC1CCN(Cc2cnc3ccc(C#N)cn23)CC1 ZINC000570164051 327573223 /nfs/dbraw/zinc/57/32/23/327573223.db2.gz LQKXYGNKJWOPOX-UHFFFAOYSA-N 0 1 293.374 2.722 20 30 CFEDMN C[C@@H]1CN(C(=O)C[C@@H](CC#N)c2ccccc2)C[C@@H](C)N1C ZINC000358681499 328891816 /nfs/dbraw/zinc/89/18/16/328891816.db2.gz IFAVOFMINDZSBW-BFYDXBDKSA-N 0 1 299.418 2.625 20 30 CFEDMN CC#CCCNCc1cc(O)c(OC)cc1Br ZINC000360969896 328913330 /nfs/dbraw/zinc/91/33/30/328913330.db2.gz WIYGEPYQIANDIG-UHFFFAOYSA-N 0 1 298.180 2.666 20 30 CFEDMN C#Cc1ccc(C[N@H+]2CC[C@@H](Oc3cccnc3)C2)cc1 ZINC000377649361 329023127 /nfs/dbraw/zinc/02/31/27/329023127.db2.gz MHPBPOUYORJFFJ-GOSISDBHSA-N 0 1 278.355 2.716 20 30 CFEDMN CCCCCCCCNC(=O)N[C@H]1CCc2nc[nH]c2C1 ZINC000378077391 329038962 /nfs/dbraw/zinc/03/89/62/329038962.db2.gz UNKCBIGHYYMSPX-ZDUSSCGKSA-N 0 1 292.427 2.927 20 30 CFEDMN Fc1ccc(C#CCN2CCCC[C@H]2Cn2cccn2)cc1 ZINC000378221076 329043326 /nfs/dbraw/zinc/04/33/26/329043326.db2.gz LDNSWXHEYWDYPB-SFHVURJKSA-N 0 1 297.377 2.928 20 30 CFEDMN C#CCN(Cc1cc(-c2cccnc2)n[nH]1)C1CCCC1 ZINC000378335237 329046333 /nfs/dbraw/zinc/04/63/33/329046333.db2.gz SHSAMEXSAYGLQI-UHFFFAOYSA-N 0 1 280.375 2.850 20 30 CFEDMN CCSCC[C@@H](C)N(C)CC(=O)N[C@@](C)(C#N)C(C)C ZINC000174026679 329157251 /nfs/dbraw/zinc/15/72/51/329157251.db2.gz IWUMGBQCWFYQCG-HIFRSBDPSA-N 0 1 299.484 2.504 20 30 CFEDMN C=C(C)CN(C)[C@H](C)c1cc(C)c(C(=O)OC)o1 ZINC000181275778 329229159 /nfs/dbraw/zinc/22/91/59/329229159.db2.gz XFBZJNFFKLRGPX-LLVKDONJSA-N 0 1 251.326 2.944 20 30 CFEDMN C=C(C)CN(C)[C@@H](C)C(=O)NCc1ccccc1Cl ZINC000181281731 329229251 /nfs/dbraw/zinc/22/92/51/329229251.db2.gz JRJHFCBWOQICOY-LBPRGKRZSA-N 0 1 280.799 2.853 20 30 CFEDMN C=C(C)CN(C)CC(=O)N(C)CC1CCCCC1 ZINC000181304690 329230802 /nfs/dbraw/zinc/23/08/02/329230802.db2.gz CSTIRHHVOHIKJW-UHFFFAOYSA-N 0 1 252.402 2.533 20 30 CFEDMN OC[C@@H](NCC#Cc1ccc(F)cc1)c1ccccc1 ZINC000183664352 329251646 /nfs/dbraw/zinc/25/16/46/329251646.db2.gz HEXZUTQSQBPAAA-QGZVFWFLSA-N 0 1 269.319 2.500 20 30 CFEDMN CC[C@@H]1[C@H](C)CC[N@H+]1CC(=O)N(C)C1(C#N)CCCCC1 ZINC000185647627 329328213 /nfs/dbraw/zinc/32/82/13/329328213.db2.gz QKLFWOJYIJNPSF-HUUCEWRRSA-N 0 1 291.439 2.792 20 30 CFEDMN C=CCCC(=O)NC1CCN(Cc2ccsc2)CC1 ZINC000115116297 329543899 /nfs/dbraw/zinc/54/38/99/329543899.db2.gz MSUSPUYCFYMJRL-UHFFFAOYSA-N 0 1 278.421 2.795 20 30 CFEDMN C=CCOCCn1[nH]c(C(C)(C)C)c(CCC#N)c1=O ZINC000418903823 329682525 /nfs/dbraw/zinc/68/25/25/329682525.db2.gz SCWUBUUBUAKYTM-UHFFFAOYSA-N 0 1 277.368 2.545 20 30 CFEDMN C=CC[N@@H+](Cc1ccc(OC)cc1)[C@H](CC)C(=O)[O-] ZINC000263137959 330045553 /nfs/dbraw/zinc/04/55/53/330045553.db2.gz NXJSDMROHBWUAA-CQSZACIVSA-N 0 1 263.337 2.546 20 30 CFEDMN Cc1cccc(C(=O)C(C#N)c2nc3ccccc3[nH]2)n1 ZINC000079640083 330050958 /nfs/dbraw/zinc/05/09/58/330050958.db2.gz NYIBQARIVPWPPH-LLVKDONJSA-N 0 1 276.299 2.756 20 30 CFEDMN C=CCOc1ccc(C[N@@H+]2CC[C@H](C(=O)[O-])C2)cc1Cl ZINC000263405980 330054324 /nfs/dbraw/zinc/05/43/24/330054324.db2.gz JTNALLUDQCIONH-LBPRGKRZSA-N 0 1 295.766 2.811 20 30 CFEDMN C=CCCC(=O)NC[C@H](c1ccco1)N1CCCCC1 ZINC000263647133 330060192 /nfs/dbraw/zinc/06/01/92/330060192.db2.gz FTYZMOBYRBNRST-CQSZACIVSA-N 0 1 276.380 2.889 20 30 CFEDMN C=C(C)[C@H](N[C@@H](C)CC(=O)NC)c1ccc(F)c(F)c1 ZINC000274783196 330107618 /nfs/dbraw/zinc/10/76/18/330107618.db2.gz PSQYQJXOGSNLEJ-BONVTDFDSA-N 0 1 282.334 2.696 20 30 CFEDMN C=CCOc1ccc(C[N@H+]2C[C@H](C)C[C@@H](C(=O)[O-])C2)cc1 ZINC000422639517 330150600 /nfs/dbraw/zinc/15/06/00/330150600.db2.gz WWRUAPORYRDVGB-UKRRQHHQSA-N 0 1 289.375 2.794 20 30 CFEDMN C=CCCS(=O)(=O)Nc1cc(F)ccc1OC(C)C ZINC000120166916 330385897 /nfs/dbraw/zinc/38/58/97/330385897.db2.gz AJZLOISITJWFNP-UHFFFAOYSA-N 0 1 287.356 2.931 20 30 CFEDMN N#C[C@H]1CC[C@@H](NCc2ccn(C3CCCC3)n2)C1 ZINC000442846281 330786499 /nfs/dbraw/zinc/78/64/99/330786499.db2.gz JJFKZVILLYZTHP-QWHCGFSZSA-N 0 1 258.369 2.780 20 30 CFEDMN COCC1(C#N)CCN(Cc2cc3cccnc3o2)CC1 ZINC000449310145 330913758 /nfs/dbraw/zinc/91/37/58/330913758.db2.gz DXWXXGYMLDUJAE-UHFFFAOYSA-N 0 1 285.347 2.580 20 30 CFEDMN C=CC(C)(C)CNCc1cn(-c2ccccc2C)nn1 ZINC000449487510 330930186 /nfs/dbraw/zinc/93/01/86/330930186.db2.gz YTTFHWFOPYPXQA-UHFFFAOYSA-N 0 1 270.380 2.878 20 30 CFEDMN C=C[C@@H]1OCC[C@H]1NCc1cc(F)c(F)cc1F ZINC000449523276 330933821 /nfs/dbraw/zinc/93/38/21/330933821.db2.gz XEOYQVJMOBVQMU-OLZOCXBDSA-N 0 1 257.255 2.537 20 30 CFEDMN C=C[C@@H]1OCCC[C@H]1NCc1ccn(-c2ccccc2)n1 ZINC000449548401 330935669 /nfs/dbraw/zinc/93/56/69/330935669.db2.gz NBNZLCLJMLZLQV-SJORKVTESA-N 0 1 283.375 2.696 20 30 CFEDMN C=CCC[C@H](CO)NCc1ncc(C(F)(F)F)s1 ZINC000449700267 330944804 /nfs/dbraw/zinc/94/48/04/330944804.db2.gz STZSJGFNGCDMCF-MRVPVSSYSA-N 0 1 280.315 2.579 20 30 CFEDMN C=CCN(CCOC)Cc1ccc(Cl)c(OC)c1 ZINC000450840112 331002099 /nfs/dbraw/zinc/00/20/99/331002099.db2.gz WMHVGJUBKBPOLI-UHFFFAOYSA-N 0 1 269.772 2.983 20 30 CFEDMN CC[C@@H]1[C@H](CO)CCN1CC#Cc1ccccc1Cl ZINC000451253521 331022003 /nfs/dbraw/zinc/02/20/03/331022003.db2.gz JUPLUFNBBOZTKR-GOEBONIOSA-N 0 1 277.795 2.784 20 30 CFEDMN C=C[C@@H]1OCC[C@H]1NCC(=O)Nc1cc(Cl)ccc1C ZINC000451608652 331036639 /nfs/dbraw/zinc/03/66/39/331036639.db2.gz SWLPSGQRNRQPMR-OCCSQVGLSA-N 0 1 294.782 2.520 20 30 CFEDMN C=CC(C)(C)C(=O)N1CC(N(C)Cc2ccccc2)C1 ZINC000451707190 331039811 /nfs/dbraw/zinc/03/98/11/331039811.db2.gz MRLNSUGJOKFIGL-UHFFFAOYSA-N 0 1 272.392 2.541 20 30 CFEDMN C=CC(C)(C)CNS(=O)(=O)c1c(F)cc(F)cc1F ZINC000451810763 331043278 /nfs/dbraw/zinc/04/32/78/331043278.db2.gz MBULSRCHQNIDSL-UHFFFAOYSA-N 0 1 293.310 2.594 20 30 CFEDMN C=C(C)CCNC(=O)[C@@H](C)[N@@H+](C)Cc1ccccc1 ZINC000452720885 331073831 /nfs/dbraw/zinc/07/38/31/331073831.db2.gz YAWDORWFIVUXAM-CQSZACIVSA-N 0 1 260.381 2.589 20 30 CFEDMN C=C(C)CCNC(=O)[C@@H](C)N(C)Cc1ccccc1 ZINC000452720885 331073832 /nfs/dbraw/zinc/07/38/32/331073832.db2.gz YAWDORWFIVUXAM-CQSZACIVSA-N 0 1 260.381 2.589 20 30 CFEDMN C=CCOc1ccc(CN[C@H](C)c2ccncn2)cc1 ZINC000453217870 331102744 /nfs/dbraw/zinc/10/27/44/331102744.db2.gz UZFBNIAAPBJDRX-CYBMUJFWSA-N 0 1 269.348 2.892 20 30 CFEDMN C=C(CC)CNC(=O)NC[C@H](c1ccco1)N1CCCC1 ZINC000454152628 331140060 /nfs/dbraw/zinc/14/00/60/331140060.db2.gz ORPUKPUMKXSTSV-CQSZACIVSA-N 0 1 291.395 2.682 20 30 CFEDMN C=C(C)CCNC(=O)NC[C@@H](c1ccsc1)N(C)C ZINC000454234461 331142390 /nfs/dbraw/zinc/14/23/90/331142390.db2.gz DHNCMGLOJIEWAD-ZDUSSCGKSA-N 0 1 281.425 2.616 20 30 CFEDMN C=C(CC)CNC(=O)NCCN(C)Cc1ccc(F)cc1 ZINC000454627511 331150137 /nfs/dbraw/zinc/15/01/37/331150137.db2.gz VTHACOZETUNKPT-UHFFFAOYSA-N 0 1 293.386 2.523 20 30 CFEDMN C=CCC1(CNC(=O)CCCCc2cn[nH]n2)CCCC1 ZINC000456484299 331193658 /nfs/dbraw/zinc/19/36/58/331193658.db2.gz JKFVEOWNVSTXPR-UHFFFAOYSA-N 0 1 290.411 2.770 20 30 CFEDMN C=C(C)CCNC(=O)NC[C@H](c1ccco1)N(CC)CC ZINC000458077946 331242331 /nfs/dbraw/zinc/24/23/31/331242331.db2.gz SYDXTJLILNIYKW-CQSZACIVSA-N 0 1 293.411 2.928 20 30 CFEDMN C=CCC(C)(C)CNC(=O)N1CCN([C@@H](C)CC)CC1 ZINC000458812856 331261036 /nfs/dbraw/zinc/26/10/36/331261036.db2.gz RLFNKESYTBCUOX-AWEZNQCLSA-N 0 1 281.444 2.714 20 30 CFEDMN C=CCN1CC[C@@H](N(C)[C@@H](C)c2ccc3c(c2)CCC3)C1=O ZINC000459441932 331281579 /nfs/dbraw/zinc/28/15/79/331281579.db2.gz ZDUGXPWWBUWSCA-KBXCAEBGSA-N 0 1 298.430 2.955 20 30 CFEDMN N#C[C@@H]1CCC[C@H]1NC[C@H](O)Cc1cccc(Cl)c1 ZINC000459489218 331284801 /nfs/dbraw/zinc/28/48/01/331284801.db2.gz XJVWLGYRSITNPV-NWANDNLSSA-N 0 1 278.783 2.525 20 30 CFEDMN Fc1ccc(C#CCN2CC3(CCC3)[C@@H]3COC[C@@H]32)cc1 ZINC000459682339 331294130 /nfs/dbraw/zinc/29/41/30/331294130.db2.gz SNBJBBBHHZXGMR-SJORKVTESA-N 0 1 285.362 2.678 20 30 CFEDMN Fc1ccc(C#CCN2CC3(CCC3)[C@H]3COC[C@H]32)cc1 ZINC000459682330 331294174 /nfs/dbraw/zinc/29/41/74/331294174.db2.gz SNBJBBBHHZXGMR-DLBZAZTESA-N 0 1 285.362 2.678 20 30 CFEDMN CCc1oc(CNCC(C)(C)CC#N)cc1C(=O)OC ZINC000459726290 331295991 /nfs/dbraw/zinc/29/59/91/331295991.db2.gz DTXULDURNHSNCR-UHFFFAOYSA-N 0 1 278.352 2.658 20 30 CFEDMN C=C[C@H]1CCCCN1CC(=O)N(C)C1CCCCC1 ZINC000489441817 332052837 /nfs/dbraw/zinc/05/28/37/332052837.db2.gz FMGWWHICGNCZPF-AWEZNQCLSA-N 0 1 264.413 2.818 20 30 CFEDMN C=C[C@H]1CCCCN1Cc1cccc2c1OCCO2 ZINC000489452731 332053389 /nfs/dbraw/zinc/05/33/89/332053389.db2.gz XADBBKSOUFZBIB-AWEZNQCLSA-N 0 1 259.349 2.998 20 30 CFEDMN C=C[C@@H]1CCCCN1CC[S@](=O)c1ccccc1 ZINC000489469401 332054561 /nfs/dbraw/zinc/05/45/61/332054561.db2.gz BINUQWXPXIJCDX-KDOFPFPSSA-N 0 1 263.406 2.835 20 30 CFEDMN C=C[C@@H]1CCCCN1CC[S@@](=O)c1ccccc1 ZINC000489469404 332054708 /nfs/dbraw/zinc/05/47/08/332054708.db2.gz BINUQWXPXIJCDX-RDTXWAMCSA-N 0 1 263.406 2.835 20 30 CFEDMN C=C[C@H]1CCCCN1CC(=O)N(C)Cc1ccccc1F ZINC000489486501 332055755 /nfs/dbraw/zinc/05/57/55/332055755.db2.gz YUNUVEONZWZQAK-HNNXBMFYSA-N 0 1 290.382 2.825 20 30 CFEDMN C#CCN1CCC(C(=O)OCc2cc(F)ccc2C)CC1 ZINC000490715502 332107936 /nfs/dbraw/zinc/10/79/36/332107936.db2.gz WZTODCRQAGSUDH-UHFFFAOYSA-N 0 1 289.350 2.523 20 30 CFEDMN C#CCN1CCC(C(=O)O[C@H](C)c2cccc(F)c2)CC1 ZINC000490839977 332119430 /nfs/dbraw/zinc/11/94/30/332119430.db2.gz LEECOYUQCWMZGU-CYBMUJFWSA-N 0 1 289.350 2.775 20 30 CFEDMN C#CCN(CC#CC)CCCC(=O)Nc1c(C)cccc1C ZINC000490850554 332120207 /nfs/dbraw/zinc/12/02/07/332120207.db2.gz BLXNIAFBRSFYIV-UHFFFAOYSA-N 0 1 296.414 2.981 20 30 CFEDMN C#CCN1CCC(C(=O)OCc2cc(C)sc2C)CC1 ZINC000490854257 332121342 /nfs/dbraw/zinc/12/13/42/332121342.db2.gz ZBAKBZSXKIKVKX-UHFFFAOYSA-N 0 1 291.416 2.753 20 30 CFEDMN C#CCN1CCC(C(=O)OCCCc2ccsc2)CC1 ZINC000490875158 332123894 /nfs/dbraw/zinc/12/38/94/332123894.db2.gz OTLSUDHTBVEZBC-UHFFFAOYSA-N 0 1 291.416 2.569 20 30 CFEDMN C#CCN(Cc1c(C)nc2sc(C)nn12)C1CCCC1 ZINC000490917264 332128902 /nfs/dbraw/zinc/12/89/02/332128902.db2.gz WKVOELXYVSAFFT-UHFFFAOYSA-N 0 1 288.420 2.785 20 30 CFEDMN C#CC(C)(C)N(C)Cc1ccc(OCC(F)(F)F)nc1 ZINC000491166736 332160234 /nfs/dbraw/zinc/16/02/34/332160234.db2.gz UFPYVXGJROUXOA-UHFFFAOYSA-N 0 1 286.297 2.866 20 30 CFEDMN C#C[C@@H](C)N(C)Cc1ccc(-c2cnn(C)c2)s1 ZINC000491201477 332164591 /nfs/dbraw/zinc/16/45/91/332164591.db2.gz ICMHEXZDGAJCIZ-LLVKDONJSA-N 0 1 259.378 2.602 20 30 CFEDMN C#CCN(Cc1ccccc1)C(=O)c1cccc2c[nH]nc21 ZINC000491219023 332167796 /nfs/dbraw/zinc/16/77/96/332167796.db2.gz BQGBRIMZGGGXQF-UHFFFAOYSA-N 0 1 289.338 2.839 20 30 CFEDMN C#C[C@H](C)N(C)Cc1c[nH]nc1-c1ccc(OC)cc1 ZINC000491252268 332174319 /nfs/dbraw/zinc/17/43/19/332174319.db2.gz GYWKYGJTGPLWPK-LBPRGKRZSA-N 0 1 269.348 2.539 20 30 CFEDMN C#CCN(C[C@@H](O)c1ccc(Cl)c(F)c1)C1CC1 ZINC000491275589 332178924 /nfs/dbraw/zinc/17/89/24/332178924.db2.gz FKVKDIQAJMQMLB-CQSZACIVSA-N 0 1 267.731 2.610 20 30 CFEDMN C#C[C@@H](C)N(C)Cc1c[nH]nc1-c1ccc(C)cc1 ZINC000491536969 332232327 /nfs/dbraw/zinc/23/23/27/332232327.db2.gz NILUUZAJYMNVFV-CYBMUJFWSA-N 0 1 253.349 2.839 20 30 CFEDMN C#CCN1CCC(C(=O)OCC/C=C/c2ccccc2)CC1 ZINC000491631783 332254079 /nfs/dbraw/zinc/25/40/79/332254079.db2.gz RPMRZXPZPMPOKJ-UXBLZVDNSA-N 0 1 297.398 2.978 20 30 CFEDMN C#C[C@H](CC)NCc1nc2ccc(OC)cc2s1 ZINC000491664749 332273671 /nfs/dbraw/zinc/27/36/71/332273671.db2.gz JVGBJGJNQUFVLU-SNVBAGLBSA-N 0 1 260.362 2.806 20 30 CFEDMN C#CCN1CCC(C(=O)N(c2ccccc2)[C@H]2C[C@H]2C)CC1 ZINC000491678146 332282631 /nfs/dbraw/zinc/28/26/31/332282631.db2.gz SGZFUZMYTDZQPE-QAPCUYQASA-N 0 1 296.414 2.773 20 30 CFEDMN C#CC[N@@H+]1CCC[C@@H]1COC(=O)c1ccc(C)nc1C1CC1 ZINC000491724071 332308572 /nfs/dbraw/zinc/30/85/72/332308572.db2.gz FBRLBSIOFKHLAO-OAHLLOKOSA-N 0 1 298.386 2.522 20 30 CFEDMN C#CCN1CCC[C@@H]1COC(=O)c1ccc(C)nc1C1CC1 ZINC000491724071 332308574 /nfs/dbraw/zinc/30/85/74/332308574.db2.gz FBRLBSIOFKHLAO-OAHLLOKOSA-N 0 1 298.386 2.522 20 30 CFEDMN C#CC(C)(C)N(C)Cc1ccc(-c2ccccn2)nc1 ZINC000491795777 332354919 /nfs/dbraw/zinc/35/49/19/332354919.db2.gz XEFYVPQJEBTLIH-UHFFFAOYSA-N 0 1 265.360 2.987 20 30 CFEDMN C=CCOc1ccc(CNCc2cnc(C)n2C)cc1 ZINC000575430716 335103645 /nfs/dbraw/zinc/10/36/45/335103645.db2.gz HVHRWVKPQSCZTK-UHFFFAOYSA-N 0 1 271.364 2.583 20 30 CFEDMN CCCC[C@H](CNC(=O)OC(C)(C)C)NCCC#N ZINC000496173820 332541263 /nfs/dbraw/zinc/54/12/63/332541263.db2.gz PJVMVOHBHZFNDO-GFCCVEGCSA-N 0 1 269.389 2.573 20 30 CFEDMN C#CCN1CCC(C(=O)N2CCC[C@@](C)(CCC)C2)CC1 ZINC000173645298 332977047 /nfs/dbraw/zinc/97/70/47/332977047.db2.gz MYGYJCFWCWCDMO-GOSISDBHSA-N 0 1 290.451 2.760 20 30 CFEDMN C=C(C)CN(CC)CC(=O)N(C)CC1CCCCC1 ZINC000513749695 333037423 /nfs/dbraw/zinc/03/74/23/333037423.db2.gz VRZVJEHQJKLLID-UHFFFAOYSA-N 0 1 266.429 2.923 20 30 CFEDMN Cc1csc([C@@H](C#N)C(=O)c2cccnc2C)n1 ZINC000178316005 333070925 /nfs/dbraw/zinc/07/09/25/333070925.db2.gz UMWUTZNPXWEDGH-NSHDSACASA-N 0 1 257.318 2.645 20 30 CFEDMN Cc1csc(C(C#N)C(=O)c2cccnc2C)n1 ZINC000178316005 333070926 /nfs/dbraw/zinc/07/09/26/333070926.db2.gz UMWUTZNPXWEDGH-NSHDSACASA-N 0 1 257.318 2.645 20 30 CFEDMN CCC1(CC)CN(CCCC(C)(C)C#N)CC[S@@]1=O ZINC000185241315 333137175 /nfs/dbraw/zinc/13/71/75/333137175.db2.gz LZXUPSJMZYTBJF-IBGZPJMESA-N 0 1 284.469 2.939 20 30 CFEDMN C[C@H](NC[C@@H](C#N)CCC#N)c1cccc(-n2cccn2)c1 ZINC000173206359 335129698 /nfs/dbraw/zinc/12/96/98/335129698.db2.gz MSDCBDRSBLVGEE-LSDHHAIUSA-N 0 1 293.374 2.966 20 30 CFEDMN CC[C@@H](C#N)S(=O)(=O)Nc1cc(F)ccc1Cl ZINC000231820432 333330240 /nfs/dbraw/zinc/33/02/40/333330240.db2.gz UUWGVHAZGHKWAT-QMMMGPOBSA-N 0 1 276.720 2.523 20 30 CFEDMN C=CCOc1ccc(CN(C)Cc2cnn(C)c2C)cc1 ZINC000576058887 335147470 /nfs/dbraw/zinc/14/74/70/335147470.db2.gz IZVGYGBBFJAJEW-UHFFFAOYSA-N 0 1 285.391 2.925 20 30 CFEDMN C=C(C)COCCNCc1nc2ccccc2n1CC ZINC000125796151 333573657 /nfs/dbraw/zinc/57/36/57/333573657.db2.gz RAQBWYSGBZYEFE-UHFFFAOYSA-N 0 1 273.380 2.739 20 30 CFEDMN C=CCCO[C@H](C)C(=O)N1CCN(CCC(C)(C)C)CC1 ZINC000126464287 333597785 /nfs/dbraw/zinc/59/77/85/333597785.db2.gz MBVZGAAEXTXKII-OAHLLOKOSA-N 0 1 296.455 2.548 20 30 CFEDMN COc1cc(CN2CCC(CC#N)CC2)cc2c1OCO2 ZINC000542852976 333845392 /nfs/dbraw/zinc/84/53/92/333845392.db2.gz DBMVJZTZLVUFOZ-UHFFFAOYSA-N 0 1 288.347 2.550 20 30 CFEDMN CC#CCCNC(=O)[C@H](c1ccccc1)N(CC)CC ZINC000543604973 333883921 /nfs/dbraw/zinc/88/39/21/333883921.db2.gz HTPSQPOQVJIQDT-INIZCTEOSA-N 0 1 272.392 2.599 20 30 CFEDMN CC[C@@H](CC#N)NCc1cccc(-n2cccn2)c1 ZINC000545167960 333965704 /nfs/dbraw/zinc/96/57/04/333965704.db2.gz SCWZZPSIECRORW-AWEZNQCLSA-N 0 1 254.337 2.654 20 30 CFEDMN CC(C)OC(=O)[C@@H]1CCCN1CCCC(C)(C)C#N ZINC000174868337 335167977 /nfs/dbraw/zinc/16/79/77/335167977.db2.gz KAJVDFGUNIESAJ-ZDUSSCGKSA-N 0 1 266.385 2.732 20 30 CFEDMN C=C(C)COCCNCc1cc(F)c(F)cc1F ZINC000136354816 334152434 /nfs/dbraw/zinc/15/24/34/334152434.db2.gz SVXXBXNOGHIWAS-UHFFFAOYSA-N 0 1 259.271 2.786 20 30 CFEDMN Cc1nnc(NC(=O)[C@@H]2SCCc3ccccc32)[nH]1 ZINC000080023731 334165270 /nfs/dbraw/zinc/16/52/70/334165270.db2.gz GFDTYNFLTUKKMO-LLVKDONJSA-N 0 1 274.349 2.732 20 30 CFEDMN Cc1n[nH]c(NC(=O)[C@@H]2SCCc3ccccc32)n1 ZINC000080023731 334165271 /nfs/dbraw/zinc/16/52/71/334165271.db2.gz GFDTYNFLTUKKMO-LLVKDONJSA-N 0 1 274.349 2.732 20 30 CFEDMN COc1cc(C)c(C[C@H](C)NC[C@H](C)C#N)cc1OC ZINC000548869910 334177629 /nfs/dbraw/zinc/17/76/29/334177629.db2.gz WHRLGBNUHKSVTL-YPMHNXCESA-N 0 1 276.380 2.693 20 30 CFEDMN N#C[C@H]1CC[C@@H](N2CCC(C#N)(c3ccccn3)CC2)C1 ZINC000550067128 334212166 /nfs/dbraw/zinc/21/21/66/334212166.db2.gz NAODLXRIHNFDDR-LSDHHAIUSA-N 0 1 280.375 2.631 20 30 CFEDMN C[C@@H](CC#N)N(C)C[C@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC000247564468 334286024 /nfs/dbraw/zinc/28/60/24/334286024.db2.gz LAPLQWCDDBQUKG-UONOGXRCSA-N 0 1 295.427 2.867 20 30 CFEDMN C[C@@H]1CN2CCCC[C@H]2CN1C(=O)C1(C#N)CCCCC1 ZINC000252661433 334384459 /nfs/dbraw/zinc/38/44/59/334384459.db2.gz KFTHWHDSDRAINY-CABCVRRESA-N 0 1 289.423 2.546 20 30 CFEDMN Cc1nnc([C@@H](C)NCCCC(C)(C)C#N)s1 ZINC000273634749 334768443 /nfs/dbraw/zinc/76/84/43/334768443.db2.gz SSNGYTAVTCFEDJ-SECBINFHSA-N 0 1 252.387 2.827 20 30 CFEDMN C=CCN(CC=C)Cc1ccccc1N1CCOCC1 ZINC000158140014 334793587 /nfs/dbraw/zinc/79/35/87/334793587.db2.gz SFVNJBJZRVTQIA-UHFFFAOYSA-N 0 1 272.392 2.697 20 30 CFEDMN N#CCCNCC1(c2ccc3c(c2)OCCO3)CCCC1 ZINC000577013086 335281803 /nfs/dbraw/zinc/28/18/03/335281803.db2.gz YXUUVWNKOJOHAI-UHFFFAOYSA-N 0 1 286.375 2.773 20 30 CFEDMN C[C@H]1CCCN(CC#Cc2cccc(Cl)c2)[C@H]1CO ZINC000346271573 335363090 /nfs/dbraw/zinc/36/30/90/335363090.db2.gz FQXIFPCJQDIZJO-BBRMVZONSA-N 0 1 277.795 2.784 20 30 CFEDMN C=C(C)CN1CC[C@@H]1CN(C)C(=O)c1cccc(C)c1F ZINC001085609969 782115506 /nfs/dbraw/zinc/11/55/06/782115506.db2.gz FQCAASKEXKJMNQ-CQSZACIVSA-N 0 1 290.382 2.857 20 30 CFEDMN COc1nccc(-c2cc3[nH]cnc3c(C#N)n2)c1Cl ZINC001243316148 782131831 /nfs/dbraw/zinc/13/18/31/782131831.db2.gz SDAJLAROFWKBSL-UHFFFAOYSA-N 0 1 285.694 2.554 20 30 CFEDMN C#CCCN1CC[C@@H]1CN(C)C(=O)c1ccccc1CCC ZINC001085713778 782140892 /nfs/dbraw/zinc/14/08/92/782140892.db2.gz SKBHHITYKPDNEC-QGZVFWFLSA-N 0 1 298.430 2.809 20 30 CFEDMN C=CCCN1CC[C@H]1CN(C)C(=O)c1ncc(Cl)s1 ZINC001085720771 782143342 /nfs/dbraw/zinc/14/33/42/782143342.db2.gz DUJXMBZKVCCSBN-JTQLQIEISA-N 0 1 299.827 2.519 20 30 CFEDMN C=CCCN1CC[C@H]1CN(C)C(=O)c1cc2ncccc2o1 ZINC001085727688 782145464 /nfs/dbraw/zinc/14/54/64/782145464.db2.gz FAHLQQUPVGBNAE-ZDUSSCGKSA-N 0 1 299.374 2.550 20 30 CFEDMN COC(=O)c1ccc(-c2ccc(O)c(F)c2F)cc1C#N ZINC001243343301 782149449 /nfs/dbraw/zinc/14/94/49/782149449.db2.gz ZNTFBEIUTUFCBP-UHFFFAOYSA-N 0 1 289.237 2.996 20 30 CFEDMN C=CCN1CC[C@H]1CN(C)C(=O)c1cccc2ncccc21 ZINC001085750756 782151090 /nfs/dbraw/zinc/15/10/90/782151090.db2.gz OEUYUOUVBFNDLD-AWEZNQCLSA-N 0 1 295.386 2.567 20 30 CFEDMN C=CCC[N@@H+]1CC[C@@H]1CN(C)C(=O)c1cc(C(C)C)on1 ZINC001085746020 782150561 /nfs/dbraw/zinc/15/05/61/782150561.db2.gz WNHPIWLQMHUZHI-CYBMUJFWSA-N 0 1 291.395 2.520 20 30 CFEDMN C=CCCN1CC[C@@H]1CN(C)C(=O)c1cc(C(C)C)on1 ZINC001085746020 782150566 /nfs/dbraw/zinc/15/05/66/782150566.db2.gz WNHPIWLQMHUZHI-CYBMUJFWSA-N 0 1 291.395 2.520 20 30 CFEDMN C=C(C)C[N@@H+]1CC[C@H]1CN(C)C(=O)c1ccn(CC)c1C ZINC001085780070 782158947 /nfs/dbraw/zinc/15/89/47/782158947.db2.gz KSJDSJPLVDMXGJ-HNNXBMFYSA-N 0 1 289.423 2.539 20 30 CFEDMN C=C(C)CN1CC[C@H]1CN(C)C(=O)c1ccn(CC)c1C ZINC001085780070 782158950 /nfs/dbraw/zinc/15/89/50/782158950.db2.gz KSJDSJPLVDMXGJ-HNNXBMFYSA-N 0 1 289.423 2.539 20 30 CFEDMN C=C(C)CN1CC[C@H]1CN(C)C(=O)[C@@H]1CCCC1(C)C ZINC001085773727 782157974 /nfs/dbraw/zinc/15/79/74/782157974.db2.gz LEYRHEOOVBOQHL-GJZGRUSLSA-N 0 1 278.440 2.922 20 30 CFEDMN C[C@@H](c1cccc(C#N)c1)N(C)Cc1cc(C#N)n(C)c1 ZINC000425364965 534081439 /nfs/dbraw/zinc/08/14/39/534081439.db2.gz HZNPTNAYJRFMNA-ZDUSSCGKSA-N 0 1 278.359 2.961 20 30 CFEDMN C[C@@H](F)CCN1CCN([C@@H](C#N)c2ccccc2)CC1 ZINC000351889253 534276462 /nfs/dbraw/zinc/27/64/62/534276462.db2.gz LFJQHWFSGYHHME-ZBFHGGJFSA-N 0 1 275.371 2.617 20 30 CFEDMN C[C@H](NC(=O)c1cc2[nH]cnc2cc1F)C1CCOCC1 ZINC000329213545 534280844 /nfs/dbraw/zinc/28/08/44/534280844.db2.gz JPUZLNIAOBYLQW-VIFPVBQESA-N 0 1 291.326 2.822 20 30 CFEDMN C#Cc1cccc(NC(=O)CN(C)[C@H](C)CCC)c1 ZINC000182398805 518362582 /nfs/dbraw/zinc/36/25/82/518362582.db2.gz WTPWRPKTODDFFA-CYBMUJFWSA-N 0 1 258.365 2.727 20 30 CFEDMN CCNC(=O)c1cccc(CNCc2cccc(C#N)c2)c1 ZINC000048816299 519898472 /nfs/dbraw/zinc/89/84/72/519898472.db2.gz PRDUJHOOAXHWKT-UHFFFAOYSA-N 0 1 293.370 2.598 20 30 CFEDMN CCOC[C@H]1CCN(Cc2cccc(C#N)c2F)C1 ZINC000340864056 520181768 /nfs/dbraw/zinc/18/17/68/520181768.db2.gz BXAYKJOOEFRLBE-LBPRGKRZSA-N 0 1 262.328 2.556 20 30 CFEDMN N#CC1(CN2C[C@H](CO)[C@H](c3ccc(Cl)cc3)C2)CC1 ZINC000352756481 534550330 /nfs/dbraw/zinc/55/03/30/534550330.db2.gz CZANHKINMNXLBG-HIFRSBDPSA-N 0 1 290.794 2.651 20 30 CFEDMN CCN1C[C@H](C)N(C(=O)[C@@H](C)c2cccc(C#N)c2)C[C@H]1C ZINC000360393360 521728799 /nfs/dbraw/zinc/72/87/99/521728799.db2.gz KPWAPNBTLOPQCZ-ILXRZTDVSA-N 0 1 299.418 2.603 20 30 CFEDMN CNC(=O)c1cccc(CN(C)Cc2ccc(C#N)cc2)c1 ZINC000072958739 521880537 /nfs/dbraw/zinc/88/05/37/521880537.db2.gz GCJBQBFOPVMTGX-UHFFFAOYSA-N 0 1 293.370 2.550 20 30 CFEDMN CCc1nc(SCc2cccc(C#N)c2F)n[nH]1 ZINC000353216260 522410076 /nfs/dbraw/zinc/41/00/76/522410076.db2.gz DQUJHVKFBKEIFP-UHFFFAOYSA-N 0 1 262.313 2.670 20 30 CFEDMN CCc1n[nH]c(SCc2cccc(C#N)c2F)n1 ZINC000353216260 522410083 /nfs/dbraw/zinc/41/00/83/522410083.db2.gz DQUJHVKFBKEIFP-UHFFFAOYSA-N 0 1 262.313 2.670 20 30 CFEDMN COC1(C)CCN(Cc2cccc(C#N)c2F)CC1 ZINC000311573513 522570495 /nfs/dbraw/zinc/57/04/95/522570495.db2.gz MVRXREKLZDJDBX-UHFFFAOYSA-N 0 1 262.328 2.698 20 30 CFEDMN CC[C@H](O)[C@H]1CCCCN1Cc1cn2ccccc2c1C#N ZINC000074287578 522826569 /nfs/dbraw/zinc/82/65/69/522826569.db2.gz ZVMHYYNSFGZBKC-MSOLQXFVSA-N 0 1 297.402 2.936 20 30 CFEDMN CC[C@@H]1CN(Cc2ccc(F)c(C#N)c2)CCCO1 ZINC000311262042 523451197 /nfs/dbraw/zinc/45/11/97/523451197.db2.gz WFYMBZUHKRRGRF-CQSZACIVSA-N 0 1 262.328 2.698 20 30 CFEDMN COc1ccc(C#N)cc1CN1CCCO[C@@H]2CCC[C@H]21 ZINC000361750199 523523763 /nfs/dbraw/zinc/52/37/63/523523763.db2.gz HMAISVZKCVPJOB-NVXWUHKLSA-N 0 1 286.375 2.710 20 30 CFEDMN COC(=O)[C@@H]1C[C@H]2CCCC[C@@H]2N1Cc1ccc(C#N)cc1 ZINC000052689269 523805380 /nfs/dbraw/zinc/80/53/80/523805380.db2.gz UXGNNXNHRJWXHK-IKGGRYGDSA-N 0 1 298.386 2.864 20 30 CFEDMN Cc1cccc([C@H]2CCCN2Cc2cc(C#N)n(C)c2)n1 ZINC000191369773 524895789 /nfs/dbraw/zinc/89/57/89/524895789.db2.gz VMYHRXKCCRFLGA-QGZVFWFLSA-N 0 1 280.375 2.937 20 30 CFEDMN C[C@@H](O)CN(Cc1nc(C#N)cs1)C1CCCCC1 ZINC000356187329 525787404 /nfs/dbraw/zinc/78/74/04/525787404.db2.gz BXSABAVFZLYNMN-LLVKDONJSA-N 0 1 279.409 2.530 20 30 CFEDMN CSc1cccc(NC(=O)c2ccc(C#N)c(O)c2)n1 ZINC000360235544 526134984 /nfs/dbraw/zinc/13/49/84/526134984.db2.gz RORFOZKLXDVWAV-UHFFFAOYSA-N 0 1 285.328 2.633 20 30 CFEDMN C[C@H](C1CCC1)N(C)CC(=O)Nc1sccc1C#N ZINC000357048208 526214520 /nfs/dbraw/zinc/21/45/20/526214520.db2.gz ZGHFHPJTAKXQIN-SNVBAGLBSA-N 0 1 277.393 2.679 20 30 CFEDMN N#Cc1c(F)cccc1N[C@@H]1CCCc2cn[nH]c21 ZINC000336363481 526524396 /nfs/dbraw/zinc/52/43/96/526524396.db2.gz GHWBOKABDKZAJP-CYBMUJFWSA-N 0 1 256.284 2.910 20 30 CFEDMN C=C(C)CN(CCOC(C)C)Cc1ccc(CO)o1 ZINC000352814576 526552617 /nfs/dbraw/zinc/55/26/17/526552617.db2.gz IVESYAUENQJKPG-UHFFFAOYSA-N 0 1 267.369 2.575 20 30 CFEDMN N#Cc1ccc(CN2CCCC[C@@H]2C2(O)CC2)c(F)c1 ZINC000334790997 526612357 /nfs/dbraw/zinc/61/23/57/526612357.db2.gz CGLAXLOQMVKSAH-OAHLLOKOSA-N 0 1 274.339 2.577 20 30 CFEDMN N#Cc1ccc(CN[C@@H](CO)c2ccccc2)cc1F ZINC000192149235 526624740 /nfs/dbraw/zinc/62/47/40/526624740.db2.gz NMTLNMQZBCSTCR-INIZCTEOSA-N 0 1 270.307 2.521 20 30 CFEDMN C=CCNC(=O)[C@H](C)N(C)CCc1ccc(Cl)cc1 ZINC000113266165 526630327 /nfs/dbraw/zinc/63/03/27/526630327.db2.gz DCRBAGJVSZTIDI-LBPRGKRZSA-N 0 1 280.799 2.505 20 30 CFEDMN N#Cc1cccc(CN2CCC(CF)CC2)c1F ZINC000336259856 526703502 /nfs/dbraw/zinc/70/35/02/526703502.db2.gz IXSQDHKHMOFWGT-UHFFFAOYSA-N 0 1 250.292 2.879 20 30 CFEDMN C#CCCOc1ccc(CNCc2ccco2)cc1 ZINC000113312311 526745429 /nfs/dbraw/zinc/74/54/29/526745429.db2.gz YIASMHHXWOZBNY-UHFFFAOYSA-N 0 1 255.317 2.972 20 30 CFEDMN N#Cc1csc(CN2CCOC[C@@H](C3CCC3)C2)c1 ZINC000336113784 526781187 /nfs/dbraw/zinc/78/11/87/526781187.db2.gz VBYSCJUYCOHJIJ-AWEZNQCLSA-N 0 1 276.405 2.868 20 30 CFEDMN C=C(C)CN1CC[C@H]1CN(C)C(=O)c1ccc(F)c(C)c1 ZINC001085791348 782164508 /nfs/dbraw/zinc/16/45/08/782164508.db2.gz GUHWMTSJPZJJQU-HNNXBMFYSA-N 0 1 290.382 2.857 20 30 CFEDMN C=C1CCN(C(=O)[C@H](C)N2CCc3ccccc3C2)CC1 ZINC000336147722 526896892 /nfs/dbraw/zinc/89/68/92/526896892.db2.gz OLZUZTUMFKHNIL-HNNXBMFYSA-N 0 1 284.403 2.612 20 30 CFEDMN C=C1CCN(Cc2ccccc2C(=O)N(C)C)CC1 ZINC000334600641 526905351 /nfs/dbraw/zinc/90/53/51/526905351.db2.gz BVUDFXBMALHMJG-UHFFFAOYSA-N 0 1 258.365 2.540 20 30 CFEDMN C=CC[C@@H](C)NC(=O)[C@H]1CCc2[nH]c(C(C)C)nc2C1 ZINC000356117299 527029940 /nfs/dbraw/zinc/02/99/40/527029940.db2.gz XBGZUYBKJUVOAG-NEPJUHHUSA-N 0 1 275.396 2.719 20 30 CFEDMN Cc1nc([C@@H](C)Sc2ccc(C#N)cc2F)n[nH]1 ZINC000334810331 527036196 /nfs/dbraw/zinc/03/61/96/527036196.db2.gz PFYIWYFRJSAZCD-SSDOTTSWSA-N 0 1 262.313 2.977 20 30 CFEDMN Cn1cc(CN2CCC(c3nccs3)CC2)cc1C#N ZINC000336090183 527198248 /nfs/dbraw/zinc/19/82/48/527198248.db2.gz VWTDHVFOXQRTCA-UHFFFAOYSA-N 0 1 286.404 2.733 20 30 CFEDMN C=CCc1ccccc1OC[C@H](O)CN1CC[C@@](C)(F)C1 ZINC000347346668 527263847 /nfs/dbraw/zinc/26/38/47/527263847.db2.gz HOWALRPOOZCZIG-NVXWUHKLSA-N 0 1 293.382 2.589 20 30 CFEDMN CC1CCC(N(C)C([O-])=[NH+][C@H]2CCn3ccnc3C2)CC1 ZINC000330286492 528186424 /nfs/dbraw/zinc/18/64/24/528186424.db2.gz ZWZPNKHQRWSBII-MOKVOYLWSA-N 0 1 290.411 2.622 20 30 CFEDMN CC(C)C[C@@H](N)c1noc(-c2ccc(C#N)s2)n1 ZINC000414617748 528348872 /nfs/dbraw/zinc/34/88/72/528348872.db2.gz LSDLXKJLHHBFSB-SECBINFHSA-N 0 1 262.338 2.716 20 30 CFEDMN CC(C)C[C@H](N)c1noc(CNc2ccc(C#N)cc2)n1 ZINC000414623071 528558037 /nfs/dbraw/zinc/55/80/37/528558037.db2.gz TVDJUJLITLCQEE-ZDUSSCGKSA-N 0 1 285.351 2.599 20 30 CFEDMN CC1(C)CCCN(C([O-])=[NH+][C@@H]2CCn3ccnc3C2)CC1 ZINC000330254423 528923820 /nfs/dbraw/zinc/92/38/20/528923820.db2.gz AVSQUQJYDNTCAY-CYBMUJFWSA-N 0 1 290.411 2.624 20 30 CFEDMN CC(C)[C@H](C)N(C([O-])=[NH+][C@@H]1CCn2ccnc2C1)C1CC1 ZINC000330278890 528950797 /nfs/dbraw/zinc/95/07/97/528950797.db2.gz QFQNDTODZZFCHX-QWHCGFSZSA-N 0 1 290.411 2.621 20 30 CFEDMN CN(Cc1ccccc1)C1CN(Cc2cccc(C#N)c2)C1 ZINC000459592567 536480304 /nfs/dbraw/zinc/48/03/04/536480304.db2.gz MUYYBNVOVSZBIR-UHFFFAOYSA-N 0 1 291.398 2.874 20 30 CFEDMN COCc1ccc(C=C(C)c2nc(C)c(C#N)c(=O)[nH]2)cc1 ZINC000435341819 536740740 /nfs/dbraw/zinc/74/07/40/536740740.db2.gz BDKKZIVBDOOHOT-FLIBITNWSA-N 0 1 295.342 2.657 20 30 CFEDMN COc1ccccc1CC(=O)Nc1nc(-c2ccco2)n[nH]1 ZINC000078868599 545496665 /nfs/dbraw/zinc/49/66/65/545496665.db2.gz XYSJITHZQZIDCE-UHFFFAOYSA-N 0 1 298.302 2.904 20 30 CFEDMN C=C(C)CN1CC[C@@H]1CN(C)C(=O)[C@]12C[C@H]1CCCC2 ZINC001085803132 782169133 /nfs/dbraw/zinc/16/91/33/782169133.db2.gz IVVPSSLESAXATR-BFYDXBDKSA-N 0 1 276.424 2.676 20 30 CFEDMN CC(C)C[N@@H+](CCC(=O)[O-])Cc1ccc(F)cc1C#N ZINC000736432647 574051672 /nfs/dbraw/zinc/05/16/72/574051672.db2.gz RPFRPBCLOGVLRF-UHFFFAOYSA-N 0 1 278.327 2.630 20 30 CFEDMN C=CCCCCCN(C)CN1C[C@@H](CC)CC1=O ZINC000755919218 574051975 /nfs/dbraw/zinc/05/19/75/574051975.db2.gz IXNKVFOTIRMRMP-AWEZNQCLSA-N 0 1 252.402 2.881 20 30 CFEDMN Clc1cccc(C=NNC2=N[C@@H]3CCCC[C@@H]3N2)c1 ZINC000753933844 574056083 /nfs/dbraw/zinc/05/60/83/574056083.db2.gz DGHFQSJBNXMBQB-BETUJISGSA-N 0 1 276.771 2.534 20 30 CFEDMN CC(=NNC1=N[C@H]2CCCC[C@@H]2N1)c1ccccc1Cl ZINC000753933993 574056148 /nfs/dbraw/zinc/05/61/48/574056148.db2.gz FFBBVLYMUYUSQD-KBPBESRZSA-N 0 1 290.798 2.924 20 30 CFEDMN CC(=NNC1=N[C@@H]2CCCC[C@H]2N1)c1cccc(Cl)c1 ZINC000753936135 574056640 /nfs/dbraw/zinc/05/66/40/574056640.db2.gz QUHPPKNLPJIXTN-ZIAGYGMSSA-N 0 1 290.798 2.924 20 30 CFEDMN Fc1ccc2c(C=NNC3=N[C@@H]4CCCC[C@@H]4N3)c[nH]c2c1 ZINC000753936120 574056684 /nfs/dbraw/zinc/05/66/84/574056684.db2.gz RRHKTEVMLSXIHL-OKILXGFUSA-N 0 1 299.353 2.501 20 30 CFEDMN Cc1ccc2c(C=NNC3=N[C@@H]4CCCC[C@H]4N3)c[nH]c2c1 ZINC000753937251 574056721 /nfs/dbraw/zinc/05/67/21/574056721.db2.gz DAIHXCWVJHAKHC-HUUCEWRRSA-N 0 1 295.390 2.670 20 30 CFEDMN C#CCN(CC(=O)N[C@@H]1CCCC[C@@H]1C)C1CCCCC1 ZINC000744212536 574061420 /nfs/dbraw/zinc/06/14/20/574061420.db2.gz GWMMIMBCKSEIOL-DOTOQJQBSA-N 0 1 290.451 2.949 20 30 CFEDMN CC(C)[C@@H](C(=O)OCc1ccc(C#N)cc1)N1CCCC1 ZINC000741012799 574069841 /nfs/dbraw/zinc/06/98/41/574069841.db2.gz ABUVPHHBQBUMPZ-INIZCTEOSA-N 0 1 286.375 2.722 20 30 CFEDMN Fc1ccc(-n2cc(CN=Nc3ccccn3)cn2)cc1 ZINC000728174532 574084250 /nfs/dbraw/zinc/08/42/50/574084250.db2.gz WCROFMSULZCIDM-UHFFFAOYSA-N 0 1 281.294 2.852 20 30 CFEDMN Cn1ccnc1C=NNc1ccc(Br)cc1F ZINC000728431821 574095638 /nfs/dbraw/zinc/09/56/38/574095638.db2.gz ABTDUMMNJXSCAN-UHFFFAOYSA-N 0 1 297.131 2.768 20 30 CFEDMN FC(F)(F)c1ccc(NN=Cc2ccoc2)nn1 ZINC000754710928 574115564 /nfs/dbraw/zinc/11/55/64/574115564.db2.gz OIYJNEFLCNKBKE-UHFFFAOYSA-N 0 1 256.187 2.534 20 30 CFEDMN C[C@H]1CC(N=Nc2ccc(C(F)(F)F)nn2)CN1C1CC1 ZINC000754711225 574115568 /nfs/dbraw/zinc/11/55/68/574115568.db2.gz VAAGWNVKXOTMOW-QMMMGPOBSA-N 0 1 299.300 2.520 20 30 CFEDMN Cc1ncsc1C(C)N=Nc1ccc(F)cn1 ZINC000731319850 574116711 /nfs/dbraw/zinc/11/67/11/574116711.db2.gz ZLHFLUFYZOEOSF-UHFFFAOYSA-N 0 1 250.302 2.822 20 30 CFEDMN C[C@@H]1C[C@H](/N=C\c2cc(Cl)ccc2O)CC[N@H+]1C ZINC000741464052 574120382 /nfs/dbraw/zinc/12/03/82/574120382.db2.gz KJXWVTCGOTWXSO-DXVYGPEISA-N 0 1 266.772 2.947 20 30 CFEDMN Cc1ccc(C=NNc2ccc(-n3cccn3)nn2)cc1F ZINC000731486047 574122047 /nfs/dbraw/zinc/12/20/47/574122047.db2.gz BIJIVDUWFXUHBH-UHFFFAOYSA-N 0 1 296.309 2.556 20 30 CFEDMN C#Cc1ccc(C(=O)Nc2ccc(CN(C)C)c(F)c2)cn1 ZINC000754873580 574126037 /nfs/dbraw/zinc/12/60/37/574126037.db2.gz VLENHRZKHLCMBU-UHFFFAOYSA-N 0 1 297.333 2.516 20 30 CFEDMN C#Cc1ccc(C(=O)Nc2ccc(CN(C)C)c(F)c2)nc1 ZINC000754872869 574126393 /nfs/dbraw/zinc/12/63/93/574126393.db2.gz PICHCNFWOFFRBC-UHFFFAOYSA-N 0 1 297.333 2.516 20 30 CFEDMN COc1cc(C=NNc2cc(C)ncn2)cc(Cl)c1O ZINC000731935640 574135902 /nfs/dbraw/zinc/13/59/02/574135902.db2.gz JXMZOYIUNKXBIH-UHFFFAOYSA-N 0 1 292.726 2.599 20 30 CFEDMN COc1ccc(C=NNc2cc(C)ncn2)c(Cl)c1 ZINC000731935269 574136072 /nfs/dbraw/zinc/13/60/72/574136072.db2.gz RXUHXPGTPGTUEW-UHFFFAOYSA-N 0 1 276.727 2.893 20 30 CFEDMN C[N@@H+](Cc1ccccc1C#N)[C@H](C(=O)[O-])c1ccccc1 ZINC000737491808 574144920 /nfs/dbraw/zinc/14/49/20/574144920.db2.gz KAZJGIQJIMOWRB-INIZCTEOSA-N 0 1 280.327 2.816 20 30 CFEDMN C(=NNc1nccc2sccc21)c1cnc2cnccn12 ZINC000746368318 574147040 /nfs/dbraw/zinc/14/70/40/574147040.db2.gz DDCFPVKPWZYHSR-UHFFFAOYSA-N 0 1 294.343 2.785 20 30 CFEDMN CCn1cc(C=NNc2ccc(C(F)(F)F)cn2)cn1 ZINC000732527689 574159695 /nfs/dbraw/zinc/15/96/95/574159695.db2.gz GAVXYYLDTLGNES-UHFFFAOYSA-N 0 1 283.257 2.763 20 30 CFEDMN Cc1nn(C)cc1CN=Nc1ccc2ccccc2n1 ZINC000755489524 574165186 /nfs/dbraw/zinc/16/51/86/574165186.db2.gz VWEYRGDLCHFDLA-UHFFFAOYSA-N 0 1 265.320 2.723 20 30 CFEDMN Cc1nn(C)cc1C=NN=c1ccc2ccccc2[nH]1 ZINC000755489524 574165187 /nfs/dbraw/zinc/16/51/87/574165187.db2.gz VWEYRGDLCHFDLA-UHFFFAOYSA-N 0 1 265.320 2.723 20 30 CFEDMN COc1nc(Cl)c(C=N[N-]c2cccc[nH+]2)s1 ZINC000755520212 574167041 /nfs/dbraw/zinc/16/70/41/574167041.db2.gz UBQOZOOLNVIPPL-UHFFFAOYSA-N 0 1 268.729 2.646 20 30 CFEDMN Clc1cnc(N=NCc2cnc[nH]2)c(Cl)c1 ZINC000755543315 574168195 /nfs/dbraw/zinc/16/81/95/574168195.db2.gz WJIGWTCAAMOYHO-UHFFFAOYSA-N 0 1 256.096 2.558 20 30 CFEDMN CCc1cc(CNCc2ccc(O[C@H](C)C#N)cc2)[nH]n1 ZINC000738431756 574169120 /nfs/dbraw/zinc/16/91/20/574169120.db2.gz WTDGAPYNEVUJAO-GFCCVEGCSA-N 0 1 284.363 2.553 20 30 CFEDMN CCCCC=Nn1c(=O)c2ccccc2[nH]c1=S ZINC000755617146 574172364 /nfs/dbraw/zinc/17/23/64/574172364.db2.gz GUPCNGMTGWMDFC-UHFFFAOYSA-N 0 1 261.350 2.709 20 30 CFEDMN N#CCCCCOC(=O)c1c(F)cc(O)cc1F ZINC000746984454 574174221 /nfs/dbraw/zinc/17/42/21/574174221.db2.gz DOXYSJVCARRQFG-UHFFFAOYSA-N 0 1 255.220 2.521 20 30 CFEDMN COc1cccc(OC)c1C=NNc1ccc(F)cn1 ZINC000755705626 574179303 /nfs/dbraw/zinc/17/93/03/574179303.db2.gz HTDKSVVZMBSFPL-UHFFFAOYSA-N 0 1 275.283 2.684 20 30 CFEDMN Cc1cccc2ncc(C=NNc3ccc(F)cn3)n21 ZINC000755705849 574179445 /nfs/dbraw/zinc/17/94/45/574179445.db2.gz IYOBWQPVECKIIY-UHFFFAOYSA-N 0 1 269.283 2.623 20 30 CFEDMN CCn1nc(C)c(C=NNc2cc(C)ccn2)c1C ZINC000755770640 574186215 /nfs/dbraw/zinc/18/62/15/574186215.db2.gz MUDMPYCGNJOJOY-UHFFFAOYSA-N 0 1 257.341 2.669 20 30 CFEDMN C(=NO[C@@H]1CCCCO1)c1cc(-c2ccccc2)[nH]n1 ZINC000755822397 574190157 /nfs/dbraw/zinc/19/01/57/574190157.db2.gz SHQOXRLTHFVCTB-OAHLLOKOSA-N 0 1 271.320 2.954 20 30 CFEDMN C[C@H]1CN(C2CC2)CC1N=Nc1nc(-c2ccccc2)no1 ZINC000755889292 574194442 /nfs/dbraw/zinc/19/44/42/574194442.db2.gz LFHWWAZIXQIDQD-NSHDSACASA-N 0 1 297.362 2.619 20 30 CFEDMN CC(=O)Nc1ccc(C=NNc2cc(C)ccn2)cc1 ZINC000755900576 574195619 /nfs/dbraw/zinc/19/56/19/574195619.db2.gz LMUWYXXWFZYPKP-UHFFFAOYSA-N 0 1 268.320 2.794 20 30 CFEDMN Cc1ccnc(NN=C2c3cc(C)cc(F)c3NC2=O)c1 ZINC000755904014 574195941 /nfs/dbraw/zinc/19/59/41/574195941.db2.gz UYBDIGFBILBZTC-UHFFFAOYSA-N 0 1 284.294 2.606 20 30 CFEDMN N#CCCCC[N@@H+](CC(=O)[O-])Cc1cc(Cl)ccc1O ZINC000739068201 574196735 /nfs/dbraw/zinc/19/67/35/574196735.db2.gz BJZIIYBWPMASCG-UHFFFAOYSA-N 0 1 296.754 2.626 20 30 CFEDMN Cc1ccnc(NN=C2c3cc(C)cc(C)c3NC2=O)c1 ZINC000755906637 574196789 /nfs/dbraw/zinc/19/67/89/574196789.db2.gz OSVYFLBXSZYXPC-UHFFFAOYSA-N 0 1 280.331 2.775 20 30 CFEDMN C[C@H](NCc1cccc(F)n1)c1ccc(C#N)cc1 ZINC000747745210 574210277 /nfs/dbraw/zinc/21/02/77/574210277.db2.gz YLXRDNITNSNBTA-NSHDSACASA-N 0 1 255.296 2.943 20 30 CFEDMN C#Cc1cccc(NC(=S)N2CCN(C3CCC3)CC2)c1 ZINC000733210358 574210712 /nfs/dbraw/zinc/21/07/12/574210712.db2.gz OVIINMQPHREWFV-UHFFFAOYSA-N 0 1 299.443 2.535 20 30 CFEDMN Cc1ccc2[nH]cc(C=NN=c3cc[nH]c(N(C)C)n3)c2c1 ZINC000739411830 574212380 /nfs/dbraw/zinc/21/23/80/574212380.db2.gz QUZGEWOSXZFBIY-UHFFFAOYSA-N 0 1 294.362 2.778 20 30 CFEDMN CN(C)c1nccc(N=NC2CCCOc3ccccc32)n1 ZINC000739418601 574212786 /nfs/dbraw/zinc/21/27/86/574212786.db2.gz XDTXCJGOQAIHQL-UHFFFAOYSA-N 0 1 297.362 2.531 20 30 CFEDMN C=CCC[C@@H]([NH2+]Cc1c[nH]c(-c2ccccc2)n1)C(=O)[O-] ZINC000756382053 574231225 /nfs/dbraw/zinc/23/12/25/574231225.db2.gz YJCXEMXGIDUIOK-CQSZACIVSA-N 0 1 285.347 2.586 20 30 CFEDMN C#CCN1CCC[C@@H]1COC(=O)C1(c2ccccc2C)CC1 ZINC000729812366 574232602 /nfs/dbraw/zinc/23/26/02/574232602.db2.gz TUFFPMXLUYCNHZ-MRXNPFEDSA-N 0 1 297.398 2.667 20 30 CFEDMN C#CCN1CCC[C@@H]1COC(=O)C[C@H]1CCCC[C@H]1C ZINC000729812148 574233193 /nfs/dbraw/zinc/23/31/93/574233193.db2.gz NFQLEJPNTHJPGK-BZUAXINKSA-N 0 1 277.408 2.844 20 30 CFEDMN C#CCN1CCC[C@H]1COC(=O)CCCCCC ZINC000756542047 574244905 /nfs/dbraw/zinc/24/49/05/574244905.db2.gz FDEWUGJAFNCMSN-AWEZNQCLSA-N 0 1 251.370 2.598 20 30 CFEDMN C#CCN1CCC[C@H]1COC(=O)c1c(C)[nH]c2ccccc21 ZINC000756548274 574245747 /nfs/dbraw/zinc/24/57/47/574245747.db2.gz OZAAZBOOHLNSRK-AWEZNQCLSA-N 0 1 296.370 2.731 20 30 CFEDMN C#CCN1CCC[C@@H]1COC(=O)c1c(C)[nH]c2ccccc21 ZINC000756548278 574245875 /nfs/dbraw/zinc/24/58/75/574245875.db2.gz OZAAZBOOHLNSRK-CQSZACIVSA-N 0 1 296.370 2.731 20 30 CFEDMN CC[C@@H](C#N)Oc1cccc(CNCc2cnc(C)nc2)c1 ZINC000733800068 574257772 /nfs/dbraw/zinc/25/77/72/574257772.db2.gz FGGROUIJMPAZCO-INIZCTEOSA-N 0 1 296.374 2.756 20 30 CFEDMN CC(=Nn1cnnc1)[C@@H](C)c1nc2ccccc2s1 ZINC000748778664 574265626 /nfs/dbraw/zinc/26/56/26/574265626.db2.gz OLIBJFNZFZWIFV-SECBINFHSA-N 0 1 271.349 2.916 20 30 CFEDMN Fc1ccc2c(c1)C(=NNCCN1CCCCC1)CC2 ZINC000748786859 574265894 /nfs/dbraw/zinc/26/58/94/574265894.db2.gz VISUFGGYEMBYHO-UHFFFAOYSA-N 0 1 275.371 2.552 20 30 CFEDMN C#CCN(CC(=O)N[C@@H]1CCC[C@H](C)[C@H]1C)C1CCCC1 ZINC000756911567 574272886 /nfs/dbraw/zinc/27/28/86/574272886.db2.gz VKBLOMYZTOOVJB-ZMSDIMECSA-N 0 1 290.451 2.805 20 30 CFEDMN COC(=O)c1ccccc1C=NNc1nc2ccccc2[nH]1 ZINC000725720914 574283685 /nfs/dbraw/zinc/28/36/85/574283685.db2.gz UWUVBXXVOCYZSZ-UHFFFAOYSA-N 0 1 294.314 2.796 20 30 CFEDMN CC(=NNc1ccccc1[N+](=O)[O-])c1cnc(C)nc1C ZINC000741451151 574290761 /nfs/dbraw/zinc/29/07/61/574290761.db2.gz LPUZMVGPQPRLSJ-UHFFFAOYSA-N 0 1 285.307 2.838 20 30 CFEDMN Cc1cc(C)nc(N=NCc2cnc(-c3ccccc3)[nH]2)n1 ZINC000741450539 574290930 /nfs/dbraw/zinc/29/09/30/574290930.db2.gz XFTCLZBVLIXZBH-UHFFFAOYSA-N 0 1 292.346 2.930 20 30 CFEDMN C=C(Br)C[N@H+](C)C1CCC(OC)CC1 ZINC000734638982 574297560 /nfs/dbraw/zinc/29/75/60/574297560.db2.gz LACTUSBZLCMVLU-UHFFFAOYSA-N 0 1 262.191 2.784 20 30 CFEDMN C=C(Br)CN(C)C1CCC(OC)CC1 ZINC000734638982 574297562 /nfs/dbraw/zinc/29/75/62/574297562.db2.gz LACTUSBZLCMVLU-UHFFFAOYSA-N 0 1 262.191 2.784 20 30 CFEDMN CC(=NNc1nnc(-c2ccccc2)n1C)c1cncs1 ZINC000734745123 574300720 /nfs/dbraw/zinc/30/07/20/574300720.db2.gz CMHBKVHFBQQXCX-UHFFFAOYSA-N 0 1 298.375 2.775 20 30 CFEDMN Cc1nc(Cl)cc(NN=Cc2ccsc2)n1 ZINC000741766864 574302129 /nfs/dbraw/zinc/30/21/29/574302129.db2.gz XQZSNRRCOAZZAS-UHFFFAOYSA-N 0 1 252.730 2.946 20 30 CFEDMN COc1cc(C(C)=NOCC(C)C)cc([N+](=O)[O-])c1O ZINC000749636803 574303562 /nfs/dbraw/zinc/30/35/62/574303562.db2.gz RZGXDFZHWARBPG-UHFFFAOYSA-N 0 1 282.296 2.706 20 30 CFEDMN CC#CCN1CCC(O)(c2cccc(C)c2C)CC1 ZINC000741808771 574305181 /nfs/dbraw/zinc/30/51/81/574305181.db2.gz IWFVGJIALHMKFX-UHFFFAOYSA-N 0 1 257.377 2.610 20 30 CFEDMN CCC(=NNc1ccc(F)cc1F)c1cnn(C)c1 ZINC000741811467 574305585 /nfs/dbraw/zinc/30/55/85/574305585.db2.gz XYSAAZRQOPQAGE-UHFFFAOYSA-N 0 1 264.279 2.925 20 30 CFEDMN CCc1nc(C)c(C(C)=NNCCN2CCCCC2)s1 ZINC000735227020 574315902 /nfs/dbraw/zinc/31/59/02/574315902.db2.gz JUSAPQGCKDADQF-UHFFFAOYSA-N 0 1 294.468 2.813 20 30 CFEDMN C=CCCCN1CCN(C(=O)OC(C)(C)C)C[C@H]1C ZINC000735493426 574327107 /nfs/dbraw/zinc/32/71/07/574327107.db2.gz PMBMGCUBTBNXET-CYBMUJFWSA-N 0 1 268.401 2.894 20 30 CFEDMN Cc1cccc2nc([C@H](C#N)C(=O)CC3CCOCC3)[nH]c21 ZINC000735789139 574335498 /nfs/dbraw/zinc/33/54/98/574335498.db2.gz KDHOABZUODWVGW-CYBMUJFWSA-N 0 1 297.358 2.864 20 30 CFEDMN CN(Cn1ccc(-c2ccc(C#N)cc2)n1)[C@H]1CCSC1 ZINC000755792298 574336136 /nfs/dbraw/zinc/33/61/36/574336136.db2.gz XSNHLGNPDKOUPV-HNNXBMFYSA-N 0 1 298.415 2.817 20 30 CFEDMN c1cnnc(N=NCc2ccc(N3CCCCC3)cc2)c1 ZINC000735973334 574345946 /nfs/dbraw/zinc/34/59/46/574345946.db2.gz GITBIBBEMKAFCO-UHFFFAOYSA-N 0 1 281.363 2.913 20 30 CFEDMN Oc1c(F)cc(C=NO[C@H]2CCCCO2)cc1F ZINC000755822849 574349773 /nfs/dbraw/zinc/34/97/73/574349773.db2.gz VOLSGTNBZHNRBZ-NSHDSACASA-N 0 1 257.236 2.548 20 30 CFEDMN C[C@@H](C(=O)C(C#N)C(=O)NCc1ccccc1)C1CCCC1 ZINC000750684101 574350965 /nfs/dbraw/zinc/35/09/65/574350965.db2.gz MEKDCAHLXDDCNF-CZUORRHYSA-N 0 1 298.386 2.838 20 30 CFEDMN C[C@@H](C(=O)C(C#N)C(=O)Nc1ccccn1)C1CCCC1 ZINC000750691267 574351070 /nfs/dbraw/zinc/35/10/70/574351070.db2.gz YKVHIRIEXPBALJ-DGCLKSJQSA-N 0 1 285.347 2.555 20 30 CFEDMN C[C@H](C(=O)C(C#N)C(=O)NC1CCCCC1)C1CCCC1 ZINC000750683467 574351098 /nfs/dbraw/zinc/35/10/98/574351098.db2.gz DXTCSVAALLLZAQ-SWLSCSKDSA-N 0 1 290.407 2.970 20 30 CFEDMN CCCCCCCCC(=O)NC1(c2nn[nH]n2)CCCC1 ZINC000736161216 574352649 /nfs/dbraw/zinc/35/26/49/574352649.db2.gz UWTXKERKKHVEMP-UHFFFAOYSA-N 0 1 293.415 2.836 20 30 CFEDMN CC(C)c1nc(-c2nn[nH]n2)c(N=NC2CCC[C@@H]2C)o1 ZINC000736259576 574358180 /nfs/dbraw/zinc/35/81/80/574358180.db2.gz FHGBQVVZVQQGBU-QMMMGPOBSA-N 0 1 289.343 2.566 20 30 CFEDMN Cc1ccc(NN=Cc2ccc(-n3cncn3)c(C)c2)nc1 ZINC000743439220 574364338 /nfs/dbraw/zinc/36/43/38/574364338.db2.gz WEIPBIUPRMDNLO-UHFFFAOYSA-N 0 1 292.346 2.725 20 30 CFEDMN Fc1cccc(NN=Cc2ccc(-n3cncn3)cc2)c1F ZINC000743443372 574364944 /nfs/dbraw/zinc/36/49/44/574364944.db2.gz XBEKQZXUPAYWHA-UHFFFAOYSA-N 0 1 299.284 2.992 20 30 CFEDMN COc1ccc(NN=C2Oc3cc(O)cc(C)c3C2=O)cc1 ZINC000750946517 574365277 /nfs/dbraw/zinc/36/52/77/574365277.db2.gz SBYIBSOFZKKQEN-UHFFFAOYSA-N 0 1 298.298 2.710 20 30 CFEDMN CON=Cc1ccc(C(=O)Nc2ccc3nc[nH]c3c2)cc1 ZINC000743936488 574375464 /nfs/dbraw/zinc/37/54/64/574375464.db2.gz BRUNVQCPHVRQKE-UHFFFAOYSA-N 0 1 294.314 2.796 20 30 CFEDMN Cc1cc(N=NC2CN(Cc3ccccc3)C[C@@H]2C)ncn1 ZINC000751528274 574378361 /nfs/dbraw/zinc/37/83/61/574378361.db2.gz CLZXIMSABJDQGA-ZDUSSCGKSA-N 0 1 295.390 2.705 20 30 CFEDMN O=C([O-])C[C@@H]1CCC[N@@H+](CC#Cc2ccc(Cl)cc2)C1 ZINC000819375613 597082535 /nfs/dbraw/zinc/08/25/35/597082535.db2.gz RUXUOEKAQCUBBF-AWEZNQCLSA-N 0 1 291.778 2.878 20 30 CFEDMN CC[C@@H]1CCC[N@H+]([C@@H](C(=O)[O-])c2cccc(C#N)c2)C1 ZINC000829126403 601311139 /nfs/dbraw/zinc/31/11/39/601311139.db2.gz YMPVFNNRPDKORE-IUODEOHRSA-N 0 1 272.348 2.806 20 30 CFEDMN CC[C@H](C)C[N@@H+](C)[C@H](C(=O)[O-])c1cccc(C#N)c1 ZINC000828747247 601317604 /nfs/dbraw/zinc/31/76/04/601317604.db2.gz MKZCXQREEZJJFE-FZMZJTMJSA-N 0 1 260.337 2.662 20 30 CFEDMN N#Cc1cccc([C@H](C(=O)[O-])[N@H+]2CC[C@@H](c3ccco3)C2)c1 ZINC000833073598 601318107 /nfs/dbraw/zinc/31/81/07/601318107.db2.gz FLMSOCJWGUEKSZ-GDBMZVCRSA-N 0 1 296.326 2.766 20 30 CFEDMN N#Cc1cccc([C@H](C(=O)[O-])[N@H+]2CC[C@H](c3ccco3)C2)c1 ZINC000833073602 601318350 /nfs/dbraw/zinc/31/83/50/601318350.db2.gz FLMSOCJWGUEKSZ-GOEBONIOSA-N 0 1 296.326 2.766 20 30 CFEDMN C=CCN1CCC[C@@H](NC(=O)[C@@H]2CCCC2(C)C)C1 ZINC001008225070 651144420 /nfs/dbraw/zinc/14/44/20/651144420.db2.gz MHGTXIKPZUPPLC-KGLIPLIRSA-N 0 1 264.413 2.579 20 30 CFEDMN C=C(C)CN1CCC[C@H](NC(=O)[C@H]2CCCC2(C)C)C1 ZINC001008226034 651145059 /nfs/dbraw/zinc/14/50/59/651145059.db2.gz QFWUODSGDNOLTE-LSDHHAIUSA-N 0 1 278.440 2.969 20 30 CFEDMN N#Cc1cc(C[N@@H+]2CCCC[C@H]2CC(=O)[O-])ccc1F ZINC000236427317 602234136 /nfs/dbraw/zinc/23/41/36/602234136.db2.gz VYMUSLPPNARSPO-ZDUSSCGKSA-N 0 1 276.311 2.527 20 30 CFEDMN C=C(C)CN1CCC[C@H](NC(=O)[C@@H]2CCC(C)(C)C2)C1 ZINC001008445972 651148325 /nfs/dbraw/zinc/14/83/25/651148325.db2.gz BPESYHXETBWHTA-CABCVRRESA-N 0 1 278.440 2.969 20 30 CFEDMN C[C@@H]1CCc2[nH]ncc2[C@H]1C(=O)N(C)c1cccc(C#N)c1 ZINC000900377456 620667015 /nfs/dbraw/zinc/66/70/15/620667015.db2.gz TWOWBLIIPIOPTM-BZNIZROVSA-N 0 1 294.358 2.610 20 30 CFEDMN C#CCN(C(=O)[C@@H]1C[C@H](C)Cc2c[nH]nc21)C1CCCCC1 ZINC000900413385 620671974 /nfs/dbraw/zinc/67/19/74/620671974.db2.gz WESULJYUQAUPKJ-CZUORRHYSA-N 0 1 299.418 2.870 20 30 CFEDMN C=C(C)C[N@H+](CC)Cc1ccc(O[C@@H](C)C(=O)[O-])cc1 ZINC000833369093 604518237 /nfs/dbraw/zinc/51/82/37/604518237.db2.gz FBHUVOZPWSPCKB-ZDUSSCGKSA-N 0 1 277.364 2.937 20 30 CFEDMN O=C([O-])[C@H]1CCCC[N@@H+]1CC#Cc1cccc(Cl)c1 ZINC000833188794 604797173 /nfs/dbraw/zinc/79/71/73/604797173.db2.gz IWFVGUUXRMVILQ-CQSZACIVSA-N 0 1 277.751 2.631 20 30 CFEDMN O=C([O-])[C@H]1CCCC[N@H+]1CC#Cc1cccc(Cl)c1 ZINC000833188794 604797174 /nfs/dbraw/zinc/79/71/74/604797174.db2.gz IWFVGUUXRMVILQ-CQSZACIVSA-N 0 1 277.751 2.631 20 30 CFEDMN C[C@H](C[N@@H+](CC#Cc1cccc(Cl)c1)C1CC1)C(=O)[O-] ZINC000833516189 604869918 /nfs/dbraw/zinc/86/99/18/604869918.db2.gz HLXQECMJIXDMJO-GFCCVEGCSA-N 0 1 291.778 2.877 20 30 CFEDMN C=CCCCCC[N@H+](C)[C@@H](C(=O)[O-])c1cccnc1 ZINC000833373744 604911122 /nfs/dbraw/zinc/91/11/22/604911122.db2.gz ASABUXHUJWYYLM-CQSZACIVSA-N 0 1 262.353 2.886 20 30 CFEDMN CC(C)(C(=O)[O-])[C@@H]1CCC[N@@H+](Cc2cccc(C#N)c2)C1 ZINC000135038732 604941474 /nfs/dbraw/zinc/94/14/74/604941474.db2.gz XPNZGYDMRHGJSD-OAHLLOKOSA-N 0 1 286.375 2.881 20 30 CFEDMN C=C(Br)C[N@@H+]1CCC[C@@H](C(C)(C)C(=O)[O-])C1 ZINC000135032021 604952047 /nfs/dbraw/zinc/95/20/47/604952047.db2.gz WPLVHEOVKJVTMB-SNVBAGLBSA-N 0 1 290.201 2.718 20 30 CFEDMN C=CCOc1ccccc1C[NH2+]Cc1ccoc1C(=O)[O-] ZINC000833379028 605092741 /nfs/dbraw/zinc/09/27/41/605092741.db2.gz VJABNWGEMUSXCN-UHFFFAOYSA-N 0 1 287.315 2.832 20 30 CFEDMN CC(C)[N@@H+](Cc1ccc(C(=O)[O-])[nH]1)Cc1ccc(C#N)cc1 ZINC000833496651 605103392 /nfs/dbraw/zinc/10/33/92/605103392.db2.gz NTYVBAHHNUYHCS-UHFFFAOYSA-N 0 1 297.358 2.995 20 30 CFEDMN CC[C@](C)(NCCO[C@H](C)C#N)c1nc(C)cs1 ZINC000801934126 630490918 /nfs/dbraw/zinc/49/09/18/630490918.db2.gz GNPKHEUIRCPCAH-YPMHNXCESA-N 0 1 267.398 2.595 20 30 CFEDMN CC(C)=CCCC(C)N=Nc1oc(C)nc1-c1nn[nH]n1 ZINC000820004821 606433529 /nfs/dbraw/zinc/43/35/29/606433529.db2.gz DNZSSSLCIJYSOL-UHFFFAOYSA-N 0 1 289.343 2.697 20 30 CFEDMN C#CCCN1CC[C@H](C)[C@@H](NC(=O)c2cc(C)cs2)C1 ZINC000965999936 613023005 /nfs/dbraw/zinc/02/30/05/613023005.db2.gz IRZDGLDFEJOVOI-KBPBESRZSA-N 0 1 290.432 2.520 20 30 CFEDMN C#CCN(C)[C@@H]1CCN(C(=O)C2(C)CCCCCC2)C1 ZINC000971692900 613079712 /nfs/dbraw/zinc/07/97/12/613079712.db2.gz JOLJLKILERHRHQ-OAHLLOKOSA-N 0 1 276.424 2.513 20 30 CFEDMN C#CCN(C)[C@@H]1CCN(C(=O)c2ccc(C(C)C)s2)C1 ZINC000980507716 613085344 /nfs/dbraw/zinc/08/53/44/613085344.db2.gz MNRFJSMHWVEEHQ-CYBMUJFWSA-N 0 1 290.432 2.651 20 30 CFEDMN C#CCN(C)[C@H]1CCN(C(=O)c2cc3ccccc3s2)C1 ZINC000971881657 613094281 /nfs/dbraw/zinc/09/42/81/613094281.db2.gz MIILOHKTTRNMBL-AWEZNQCLSA-N 0 1 298.411 2.681 20 30 CFEDMN C#CCN1CCCCC[C@@H]1CNC(=O)c1ccccc1C ZINC000968736030 613146516 /nfs/dbraw/zinc/14/65/16/613146516.db2.gz YMMLSGBAKKOTII-MRXNPFEDSA-N 0 1 284.403 2.603 20 30 CFEDMN C#CCN1CCCCC[C@H]1CNC(=O)c1ccc(Cl)o1 ZINC000968756256 613149357 /nfs/dbraw/zinc/14/93/57/613149357.db2.gz QANPKODBJUNZRV-LBPRGKRZSA-N 0 1 294.782 2.541 20 30 CFEDMN C#CCN1CCCCC[C@H]1CNC(=O)c1occc1Cl ZINC000969013709 613150408 /nfs/dbraw/zinc/15/04/08/613150408.db2.gz DZKHMARQKULSKY-LBPRGKRZSA-N 0 1 294.782 2.541 20 30 CFEDMN C#CCN1CC[C@@H](NC(=O)CC2CCCCC2)C(C)(C)C1 ZINC000940553847 613224345 /nfs/dbraw/zinc/22/43/45/613224345.db2.gz LFFQDPHDWGJXIH-MRXNPFEDSA-N 0 1 290.451 2.807 20 30 CFEDMN C#CCN1CC[C@@H](NC(=O)c2cc(C)sc2C)C[C@H]1C ZINC000947515870 613232697 /nfs/dbraw/zinc/23/26/97/613232697.db2.gz QGIYPAYDUMQKMK-BXUZGUMPSA-N 0 1 290.432 2.581 20 30 CFEDMN C#CCN1CC[C@@H](NC(=O)c2ccccc2Cl)C[C@H]1C ZINC000947958588 613238095 /nfs/dbraw/zinc/23/80/95/613238095.db2.gz RICMPQCKTWHKKP-CHWSQXEVSA-N 0 1 290.794 2.556 20 30 CFEDMN C#CCN1CC[C@@H](NC(=O)c2csc(C)c2C)C[C@@H]1C ZINC000947344386 613243661 /nfs/dbraw/zinc/24/36/61/613243661.db2.gz VXJGTLOEFLGLSK-SMDDNHRTSA-N 0 1 290.432 2.581 20 30 CFEDMN C=C(C)CCN1CC(N(CC)C(=O)c2cccc(F)c2)C1 ZINC000949601212 613246290 /nfs/dbraw/zinc/24/62/90/613246290.db2.gz HJBYOUKONTVQOB-UHFFFAOYSA-N 0 1 290.382 2.938 20 30 CFEDMN C=C(C)CCN1CCN(C(=O)[C@@H]2C[C@@H]3CCCC[C@H]23)CC1 ZINC000949438904 613259702 /nfs/dbraw/zinc/25/97/02/613259702.db2.gz KCJUPVPPFRDLMR-YESZJQIVSA-N 0 1 290.451 2.923 20 30 CFEDMN C=C(C)CCN1CCN(C(=O)[C@H]2C[C@]2(C)C(C)C)CC1 ZINC000956980294 613260620 /nfs/dbraw/zinc/26/06/20/613260620.db2.gz WJLVDTYZDRRQKL-NVXWUHKLSA-N 0 1 278.440 2.779 20 30 CFEDMN C#CCN1CC[C@H](NC(=O)c2cc3ccccc3o2)[C@@H](C)C1 ZINC000944632371 613266972 /nfs/dbraw/zinc/26/69/72/613266972.db2.gz BAULMZOKDTWPKL-ZFWWWQNUSA-N 0 1 296.370 2.506 20 30 CFEDMN C#CCN1CC[C@H](NC(=O)c2cc3ccccc3o2)[C@H](C)C1 ZINC000944632368 613267000 /nfs/dbraw/zinc/26/70/00/613267000.db2.gz BAULMZOKDTWPKL-HIFRSBDPSA-N 0 1 296.370 2.506 20 30 CFEDMN C#CCN1C[C@@H](NC(=O)[C@@H]2CCC(C)=C(C)C2)C(C)(C)C1 ZINC000974641978 613281765 /nfs/dbraw/zinc/28/17/65/613281765.db2.gz XZEYMDJQDMGGCF-HZPDHXFCSA-N 0 1 288.435 2.583 20 30 CFEDMN C#CCN1C[C@H](NC(=O)[C@@H](C)c2ccccc2C)C(C)(C)C1 ZINC000977608834 613298119 /nfs/dbraw/zinc/29/81/19/613298119.db2.gz ADKUVNBGYWFJAF-RDJZCZTQSA-N 0 1 298.430 2.558 20 30 CFEDMN C=C(C)CN1CCCN(C(=O)[C@@H]2CCC(F)(F)C2)CC1 ZINC000981292637 613309597 /nfs/dbraw/zinc/30/95/97/613309597.db2.gz AMSNZYYWHLHKBR-CYBMUJFWSA-N 0 1 286.366 2.532 20 30 CFEDMN C=C(C)CN1CCCN(C(=O)[C@@]2(C)CC=CCC2)CC1 ZINC000981235628 613310030 /nfs/dbraw/zinc/31/00/30/613310030.db2.gz NDUSQEUZMUNZDU-KRWDZBQOSA-N 0 1 276.424 2.843 20 30 CFEDMN C=C(C)CN1CCCN(C(=O)[C@@H]2C[C@@H]3C=C[C@H]2CC3)CC1 ZINC000981202235 613310059 /nfs/dbraw/zinc/31/00/59/613310059.db2.gz CDCDFNVMALDSOI-IXDOHACOSA-N 0 1 288.435 2.699 20 30 CFEDMN C=C(C)CN1CCCN(C(=O)c2cc[nH]c2C(C)C)CC1 ZINC000981799741 613311702 /nfs/dbraw/zinc/31/17/02/613311702.db2.gz KSNYTYLPCDFSIZ-UHFFFAOYSA-N 0 1 289.423 2.862 20 30 CFEDMN C=C(C)CN1CCCN(C(=O)c2ccccc2CC)CC1 ZINC000981834950 613312781 /nfs/dbraw/zinc/31/27/81/613312781.db2.gz SGJIIUNLLATXGO-UHFFFAOYSA-N 0 1 286.419 2.973 20 30 CFEDMN C=C(C)CN1CC[C@H](C)[C@@H](NC(=O)C2(F)CCCC2)C1 ZINC000967033421 613332244 /nfs/dbraw/zinc/33/22/44/613332244.db2.gz OYJKMKMEJVRJSI-KBPBESRZSA-N 0 1 282.403 2.671 20 30 CFEDMN C=C(C)CN1CCc2ccccc2[C@@H]1CNC(=O)[C@@H]1C[C@H]1C ZINC000948951031 613337467 /nfs/dbraw/zinc/33/74/67/613337467.db2.gz RGBKIZQXQPZKIB-OLMNPRSZSA-N 0 1 298.430 2.934 20 30 CFEDMN C=C(C)CN1C[C@@H](NC(=O)c2ccc(CC)o2)C(C)(C)C1 ZINC000974749552 613338480 /nfs/dbraw/zinc/33/84/80/613338480.db2.gz FUTGPGJPDTWHOH-OAHLLOKOSA-N 0 1 290.407 2.858 20 30 CFEDMN C=C(C)CN1C[C@@H](NC(=O)c2coc(C)c2)C(C)(C)C1 ZINC000974502917 613338951 /nfs/dbraw/zinc/33/89/51/613338951.db2.gz HCHNEVTVPVPVHZ-CQSZACIVSA-N 0 1 276.380 2.604 20 30 CFEDMN C=C(Cl)CN1CCC[C@H](N(C)C(=O)[C@H]2C[C@@H]2C)CC1 ZINC000948688177 613374525 /nfs/dbraw/zinc/37/45/25/613374525.db2.gz IQSJXGLJFZSZIL-UBHSHLNASA-N 0 1 284.831 2.708 20 30 CFEDMN C=C(Cl)CN[C@@H]1CCN(C(=O)[C@@H](C)c2ccc(C)o2)C1 ZINC000970203951 613385062 /nfs/dbraw/zinc/38/50/62/613385062.db2.gz LAFYSQGHEABXOE-QWHCGFSZSA-N 0 1 296.798 2.635 20 30 CFEDMN C=C(Cl)CN[C@@H]1CCN(C(=O)c2cccc(C)c2)C1 ZINC000966686477 613385801 /nfs/dbraw/zinc/38/58/01/613385801.db2.gz DQBHCSKCOGASCR-CQSZACIVSA-N 0 1 278.783 2.552 20 30 CFEDMN C=C(Cl)CN[C@@H]1CN(C(=O)C2CCC=CCC2)C[C@@H]1C ZINC000939775941 613386175 /nfs/dbraw/zinc/38/61/75/613386175.db2.gz JQKFASSGKLPECR-SWLSCSKDSA-N 0 1 296.842 2.922 20 30 CFEDMN C=C(Cl)CN[C@@H]1CN(C(=O)C2(C(C)C)CC2)C[C@H]1C ZINC000939091067 613386263 /nfs/dbraw/zinc/38/62/63/613386263.db2.gz FBPFAQLJVOXZON-DGCLKSJQSA-N 0 1 284.831 2.612 20 30 CFEDMN C=C(Cl)CN[C@H]1CN(C(=O)c2csc(C)c2)C[C@H]1C ZINC000939308602 613387124 /nfs/dbraw/zinc/38/71/24/613387124.db2.gz QNKSCEGTLRKHGQ-RNCFNFMXSA-N 0 1 298.839 2.859 20 30 CFEDMN C=CC(C)(C)C(=O)N1CCN(CC2CC(C)(C)C2)CC1 ZINC000949666764 613433499 /nfs/dbraw/zinc/43/34/99/613433499.db2.gz CBWXEVICQBCWLV-UHFFFAOYSA-N 0 1 278.440 2.779 20 30 CFEDMN C=C[C@@](C)(CC)C(=O)N1C[C@@]2(C)CN(CCF)C[C@@]2(C)C1 ZINC000982508139 613476309 /nfs/dbraw/zinc/47/63/09/613476309.db2.gz SQANMOGXCPAKQL-YESZJQIVSA-N 0 1 296.430 2.729 20 30 CFEDMN C=CCCN1CCN(C(=O)[C@@H]2CCC[C@H](C)C2)CC1 ZINC000949934944 613506264 /nfs/dbraw/zinc/50/62/64/613506264.db2.gz BMEYLUDIXZIXGP-LSDHHAIUSA-N 0 1 264.413 2.533 20 30 CFEDMN C=CCCN1CCN(C(=O)[C@@H]2CCC[C@H]2CC)CC1 ZINC000950332331 613506268 /nfs/dbraw/zinc/50/62/68/613506268.db2.gz JRMINFFZDZZEOW-HUUCEWRRSA-N 0 1 264.413 2.533 20 30 CFEDMN C=CCCN1CCN(C(=O)[C@H]2CCCC(C)(C)C2)CC1 ZINC000957829351 613508030 /nfs/dbraw/zinc/50/80/30/613508030.db2.gz FESCMUCQAJKAPF-HNNXBMFYSA-N 0 1 278.440 2.923 20 30 CFEDMN C=CCCN1CCN(C(=O)[C@H]2CCc3ccccc3C2)CC1 ZINC000950721480 613508510 /nfs/dbraw/zinc/50/85/10/613508510.db2.gz NSYAQWJADIJPLS-SFHVURJKSA-N 0 1 298.430 2.512 20 30 CFEDMN C=CCCN1CCN(C(=O)[C@H]2[C@@H](C=C(C)C)C2(C)C)CC1 ZINC000949198244 613508803 /nfs/dbraw/zinc/50/88/03/613508803.db2.gz BKOQUJSLHMTVHQ-HZPDHXFCSA-N 0 1 290.451 2.945 20 30 CFEDMN C=CCCN1CCN(C(=O)c2cc(C)cc(Cl)c2)CC1 ZINC000949306354 613509641 /nfs/dbraw/zinc/50/96/41/613509641.db2.gz ZXEFHVLXXWHKKA-UHFFFAOYSA-N 0 1 292.810 2.982 20 30 CFEDMN C=CCCN1CCN(C(=O)c2ccc(C)c(Cl)c2)CC1 ZINC000949986879 613510174 /nfs/dbraw/zinc/51/01/74/613510174.db2.gz VJFQMFLXUZRQNU-UHFFFAOYSA-N 0 1 292.810 2.982 20 30 CFEDMN C=CCCN1CCN(C(=O)c2nccc3ccccc32)CC1 ZINC000949918264 613513267 /nfs/dbraw/zinc/51/32/67/613513267.db2.gz IEVSGVOKBIXKQU-UHFFFAOYSA-N 0 1 295.386 2.569 20 30 CFEDMN CC#CCN1CC([C@@H](C)NC(=O)[C@H]2CC[C@H](CC)CC2)C1 ZINC000970770847 613530481 /nfs/dbraw/zinc/53/04/81/613530481.db2.gz FUPXRIOMAIQMKZ-BZUAXINKSA-N 0 1 290.451 2.663 20 30 CFEDMN C=CCN1CC([C@@H](C)NC(=O)[C@H]2[C@@H]3CCCCCC[C@@H]32)C1 ZINC000970476366 613662977 /nfs/dbraw/zinc/66/29/77/613662977.db2.gz MNACELQXIMRODU-SIXLDLHFSA-N 0 1 290.451 2.825 20 30 CFEDMN C=CCN1CC([C@@H](C)NC(=O)c2ccc3c(c2)CCC=C3)C1 ZINC000970751862 613665178 /nfs/dbraw/zinc/66/51/78/613665178.db2.gz JVFIVMZNHRHELM-CQSZACIVSA-N 0 1 296.414 2.882 20 30 CFEDMN C=CCN1CC([C@@H](C)NC(=O)c2cccc(Cl)c2C)C1 ZINC000969720642 613665850 /nfs/dbraw/zinc/66/58/50/613665850.db2.gz ILSUOHRORPEHFU-GFCCVEGCSA-N 0 1 292.810 2.885 20 30 CFEDMN C=CCN1CC([C@@H](C)NC(=O)c2cccc(C3CC3)c2)C1 ZINC000970946698 613666128 /nfs/dbraw/zinc/66/61/28/613666128.db2.gz XYMJQODICFMOLA-CYBMUJFWSA-N 0 1 284.403 2.800 20 30 CFEDMN C=CCN1CC([C@H](C)NC(=O)c2ccc(C=C)cc2)C1 ZINC000970470053 613671621 /nfs/dbraw/zinc/67/16/21/613671621.db2.gz HKHCBPDPGVQCCN-ZDUSSCGKSA-N 0 1 270.376 2.566 20 30 CFEDMN C=CCN1CCCN(C(=O)C2CCCCCC2)CC1 ZINC000980822391 613688451 /nfs/dbraw/zinc/68/84/51/613688451.db2.gz LLDLSEOCISUJEA-UHFFFAOYSA-N 0 1 264.413 2.677 20 30 CFEDMN C=CCN1CCCN(C(=O)C2(C(F)F)CCCC2)CC1 ZINC000981814451 613688673 /nfs/dbraw/zinc/68/86/73/613688673.db2.gz GHYXKSQGYIRGIQ-UHFFFAOYSA-N 0 1 286.366 2.532 20 30 CFEDMN C=CCN1CCCN(C(=O)Cc2ccc(Cl)s2)CC1 ZINC000982113261 613690271 /nfs/dbraw/zinc/69/02/71/613690271.db2.gz HLGWHMHDGYVXDI-UHFFFAOYSA-N 0 1 298.839 2.664 20 30 CFEDMN C=CCN1CCCN(C(=O)[C@@H]2C[C@H]2c2cccc(C)c2)CC1 ZINC000982165648 613692928 /nfs/dbraw/zinc/69/29/28/613692928.db2.gz PQPUMORBFCKEDF-ZWKOTPCHSA-N 0 1 298.430 2.819 20 30 CFEDMN C=CCN1CCCN(C(=O)[C@H]2CCCC[C@H]2C)CC1 ZINC000981841362 613693735 /nfs/dbraw/zinc/69/37/35/613693735.db2.gz LGKIGIABQMSBGZ-CABCVRRESA-N 0 1 264.413 2.533 20 30 CFEDMN C=CCN1CCCN(C(=O)[C@@]2(C)C[C@@H]2c2ccccc2)CC1 ZINC000982151846 613693889 /nfs/dbraw/zinc/69/38/89/613693889.db2.gz OBKQGVYGNAZUAL-MJGOQNOKSA-N 0 1 298.430 2.901 20 30 CFEDMN C=CCN1CCCN(C(=O)[C@H]2C[C@H]2C2CCCC2)CC1 ZINC000983198516 613695661 /nfs/dbraw/zinc/69/56/61/613695661.db2.gz PREURKSSGFELRC-HOTGVXAUSA-N 0 1 276.424 2.533 20 30 CFEDMN C=CCN1CCCN(C(=O)[C@H]2C[C@@]2(CC)C(C)C)CC1 ZINC000983391439 613695783 /nfs/dbraw/zinc/69/57/83/613695783.db2.gz WAPRXBYACMCZBO-WBVHZDCISA-N 0 1 278.440 2.779 20 30 CFEDMN C=CCN1CCCN(C(=O)c2cccc(Cl)c2C)CC1 ZINC000981211221 613698200 /nfs/dbraw/zinc/69/82/00/613698200.db2.gz JFIGCTWCPKLGJI-UHFFFAOYSA-N 0 1 292.810 2.982 20 30 CFEDMN C=CCN1CC[C@H](C)[C@@H](NC(=O)c2cc[nH]c2C2CC2)C1 ZINC000968055246 613768495 /nfs/dbraw/zinc/76/84/95/613768495.db2.gz HWZCUBCYJCMACA-WFASDCNBSA-N 0 1 287.407 2.518 20 30 CFEDMN C=CCN1CC[C@H](C)[C@@H](NC(=O)c2cc(C)oc2C)C1 ZINC000965034344 613768984 /nfs/dbraw/zinc/76/89/84/613768984.db2.gz PVGMRSYMFKNWBR-NHYWBVRUSA-N 0 1 276.380 2.523 20 30 CFEDMN C=CCN1CC[C@H](C)[C@H](NC(=O)CC2CC(C)(C)C2)C1 ZINC000967993754 613771716 /nfs/dbraw/zinc/77/17/16/613771716.db2.gz LXRNVFSDEUWUKB-DZGCQCFKSA-N 0 1 278.440 2.825 20 30 CFEDMN C=CCN1CC[C@H](C)[C@H](NC(=O)CC2CCCCC2)C1 ZINC000964904239 613771972 /nfs/dbraw/zinc/77/19/72/613771972.db2.gz MKJOHXNZYTZYHI-GOEBONIOSA-N 0 1 278.440 2.969 20 30 CFEDMN C=CCN1CC[C@H](C)[C@H](NC(=O)c2c[nH]cc2C2CC2)C1 ZINC000968488169 613772204 /nfs/dbraw/zinc/77/22/04/613772204.db2.gz IXCQBFRBLYNGMZ-BLLLJJGKSA-N 0 1 287.407 2.518 20 30 CFEDMN C=CCN1CC[C@H](C)[C@H](NC(=O)c2ccc(C)c(C)c2)C1 ZINC000968607266 613773280 /nfs/dbraw/zinc/77/32/80/613773280.db2.gz QLICTEKQBBZTLE-WMLDXEAASA-N 0 1 286.419 2.930 20 30 CFEDMN C=CCN1CC[C@H](C)[C@H](NC(=O)c2cc(F)cc(F)c2)C1 ZINC000968624360 613773343 /nfs/dbraw/zinc/77/33/43/613773343.db2.gz RQLPLICSXNPVFF-XHDPSFHLSA-N 0 1 294.345 2.591 20 30 CFEDMN C=CCN1CC[C@H](C)[C@H](NC(=O)c2ccc(Cl)cc2)C1 ZINC000968571247 613774328 /nfs/dbraw/zinc/77/43/28/613774328.db2.gz XIOZLXNBAKMYGA-SWLSCSKDSA-N 0 1 292.810 2.966 20 30 CFEDMN C=CCN1C[C@@H](NC(=O)C2(F)CCCCC2)C(C)(C)C1 ZINC000977417555 613805834 /nfs/dbraw/zinc/80/58/34/613805834.db2.gz IGMMLAUQQPRDJC-CYBMUJFWSA-N 0 1 282.403 2.671 20 30 CFEDMN C=CCN1C[C@@H](NC(=O)C23CCC(CC2)C3)C(C)(C)C1 ZINC000974734882 613806238 /nfs/dbraw/zinc/80/62/38/613806238.db2.gz XMGMZLUDTBEDMJ-XOYHFGRZSA-N 0 1 276.424 2.579 20 30 CFEDMN C=CCN1C[C@@H](NC(=O)[C@H](C)c2ccsc2)C(C)(C)C1 ZINC000975024579 613808238 /nfs/dbraw/zinc/80/82/38/613808238.db2.gz CDWTZBKHOVLRPI-TZMCWYRMSA-N 0 1 292.448 2.864 20 30 CFEDMN C=CCN1C[C@@H](NC(=O)c2ccc(CF)cc2)C(C)(C)C1 ZINC000977643486 613809828 /nfs/dbraw/zinc/80/98/28/613809828.db2.gz MLSFPIMOMLHGPH-OAHLLOKOSA-N 0 1 290.382 2.782 20 30 CFEDMN C=CCN1C[C@@H](NC(=O)c2cccc(C)c2F)C(C)(C)C1 ZINC000974629922 613810659 /nfs/dbraw/zinc/81/06/59/613810659.db2.gz LGZACRKFCSEUGR-CQSZACIVSA-N 0 1 290.382 2.760 20 30 CFEDMN C=CCN1C[C@@H](NC(=O)c2cccc(F)c2F)C(C)(C)C1 ZINC000974967240 613810926 /nfs/dbraw/zinc/81/09/26/613810926.db2.gz XKWPOGUBUDFJRM-CYBMUJFWSA-N 0 1 294.345 2.591 20 30 CFEDMN C=CCN1C[C@H](NC(=O)c2c(F)cccc2F)C(C)(C)C1 ZINC000977511292 613828467 /nfs/dbraw/zinc/82/84/67/613828467.db2.gz GQHPTUIUOJGIDO-ZDUSSCGKSA-N 0 1 294.345 2.591 20 30 CFEDMN C=CCN1C[C@H](NC(=O)c2ccn3ccccc23)C(C)(C)C1 ZINC000974815828 613829187 /nfs/dbraw/zinc/82/91/87/613829187.db2.gz YURNIQLGKDZMHJ-INIZCTEOSA-N 0 1 297.402 2.566 20 30 CFEDMN C=CCN1C[C@H](NC(=O)c2ccoc2C2CC2)C(C)(C)C1 ZINC000974953607 613829839 /nfs/dbraw/zinc/82/98/39/613829839.db2.gz HSYVXZGKNYVMFR-AWEZNQCLSA-N 0 1 288.391 2.783 20 30 CFEDMN CCCCCNC(=O)C(C#N)C(=O)CCC(C)(C)C ZINC000121610413 617789969 /nfs/dbraw/zinc/78/99/69/617789969.db2.gz CHOISAKNNORIPP-GFCCVEGCSA-N 0 1 266.385 2.828 20 30 CFEDMN C[C@H](N[C@H]1CCc2cc(C#N)ccc21)c1ccnnc1 ZINC000926318163 617894597 /nfs/dbraw/zinc/89/45/97/617894597.db2.gz UZFORJQYWQEKAR-ZBEGNZNMSA-N 0 1 264.332 2.686 20 30 CFEDMN C#CC[N@H+]1CC[C@@H]2[C@H](CCCN2C(=O)c2ccccc2C)C1 ZINC001021508162 618035049 /nfs/dbraw/zinc/03/50/49/618035049.db2.gz GNSUJSLNBKOIGD-SJLPKXTDSA-N 0 1 296.414 2.555 20 30 CFEDMN COc1ccc(CNCC#Cc2ccccc2)cc1OC ZINC000051814145 618079402 /nfs/dbraw/zinc/07/94/02/618079402.db2.gz XMYMFCROQXJBPP-UHFFFAOYSA-N 0 1 281.355 2.845 20 30 CFEDMN C=CC[C@H]1CCN1C(=O)c1n[nH]c(C)c1C(F)(F)F ZINC000890547775 617639150 /nfs/dbraw/zinc/63/91/50/617639150.db2.gz DSLVBXIESXKIFB-QMMMGPOBSA-N 0 1 273.258 2.528 20 30 CFEDMN C#CCN1CCC(C(=O)N2Cc3ccccc3[C@H]2CC)CC1 ZINC000890610790 617700625 /nfs/dbraw/zinc/70/06/25/617700625.db2.gz NYPSFZZRAMXTPX-GOSISDBHSA-N 0 1 296.414 2.825 20 30 CFEDMN CCN(CCO)c1ccc(C=NOC/C=C\Cl)c(C)c1 ZINC000811671683 617716390 /nfs/dbraw/zinc/71/63/90/617716390.db2.gz JRVIDIWPFNRTEU-WENYHIJHSA-N 0 1 296.798 2.917 20 30 CFEDMN C#C[C@H]1CCCCN1C(=O)c1ccc(CN(CC)CC)o1 ZINC000890648872 617734290 /nfs/dbraw/zinc/73/42/90/617734290.db2.gz TYHVIUVIODVKSI-AWEZNQCLSA-N 0 1 288.391 2.749 20 30 CFEDMN N#Cc1cnccc1CN[C@@H]1CCOC12CCCCC2 ZINC000933873416 617801210 /nfs/dbraw/zinc/80/12/10/617801210.db2.gz BLSXPHQOCZLTJC-OAHLLOKOSA-N 0 1 271.364 2.535 20 30 CFEDMN CS[C@H]1CCCC(=NNCCN2CCCCC2)C1 ZINC000901169799 620760860 /nfs/dbraw/zinc/76/08/60/620760860.db2.gz OJSBVLOYFZUJRM-AWEZNQCLSA-N 0 1 269.458 2.724 20 30 CFEDMN C=CCCCN(CC)C(=O)c1ccc2cncn2c1 ZINC000890812049 617909608 /nfs/dbraw/zinc/90/96/08/617909608.db2.gz HNDVKNSJUFBKLC-UHFFFAOYSA-N 0 1 257.337 2.763 20 30 CFEDMN C=CCCCN(CC)C(=O)c1cc(Br)[nH]n1 ZINC000890812719 617910219 /nfs/dbraw/zinc/91/02/19/617910219.db2.gz MTEQGRJBNKEHCI-UHFFFAOYSA-N 0 1 286.173 2.601 20 30 CFEDMN C=CCCCN(CC)C(=O)c1cccc2c[nH]nc21 ZINC000890816002 617912168 /nfs/dbraw/zinc/91/21/68/617912168.db2.gz JLDBMIYIWGAUKW-UHFFFAOYSA-N 0 1 257.337 2.991 20 30 CFEDMN C[C@@H]1CN(CC2(CC#N)CC2)CCN1c1ccccc1 ZINC000934320869 617999058 /nfs/dbraw/zinc/99/90/58/617999058.db2.gz XSEHOUGAOULZQK-OAHLLOKOSA-N 0 1 269.392 2.891 20 30 CFEDMN C[C@H]1CCN(Cc2csc(C#N)c2)C[C@H]1n1ccnc1 ZINC000892223410 618012293 /nfs/dbraw/zinc/01/22/93/618012293.db2.gz IKSMRYRJPIVNAQ-SWLSCSKDSA-N 0 1 286.404 2.899 20 30 CFEDMN CCCCCCCN(CC)[C@H](C)CS(C)(=O)=O ZINC000158130616 618030920 /nfs/dbraw/zinc/03/09/20/618030920.db2.gz SMPJNGUSVQCPNF-CYBMUJFWSA-N 0 1 263.447 2.712 20 30 CFEDMN C=CC[C@H]1CCN1Cc1cc(-c2cnn(C)c2C)no1 ZINC000934459513 618039664 /nfs/dbraw/zinc/03/96/64/618039664.db2.gz CWMKMTZCMRJABV-LBPRGKRZSA-N 0 1 272.352 2.534 20 30 CFEDMN C=CC[C@H]1CCN1CC(=O)NCCC1=CCCCC1 ZINC000934471740 618047197 /nfs/dbraw/zinc/04/71/97/618047197.db2.gz NKHHSIPYOLVOJN-HNNXBMFYSA-N 0 1 262.397 2.644 20 30 CFEDMN C#C[C@H]1CCCCN1CCC(=O)Nc1ccc(C(C)=O)cc1 ZINC000934514105 618061542 /nfs/dbraw/zinc/06/15/42/618061542.db2.gz YSZPWOCODRPWEN-KRWDZBQOSA-N 0 1 298.386 2.706 20 30 CFEDMN CCOc1cccc(CNCc2ccc(C#N)cn2)c1 ZINC000780558265 618107442 /nfs/dbraw/zinc/10/74/42/618107442.db2.gz NIDMICQRMAMDLC-UHFFFAOYSA-N 0 1 267.332 2.642 20 30 CFEDMN C[C@@H]1C[C@@H](NN=C2CCCN3CCCC[C@H]23)C[C@H](C)O1 ZINC000901302735 620780355 /nfs/dbraw/zinc/78/03/55/620780355.db2.gz LCNKHHRJHHDWOI-HLPPOEQASA-N 0 1 279.428 2.536 20 30 CFEDMN Cc1cccc(NN=Cc2ccnn2C2CCC2)n1 ZINC000901266983 620778250 /nfs/dbraw/zinc/77/82/50/620778250.db2.gz DQDXRPJIDUGDAR-UHFFFAOYSA-N 0 1 255.325 2.758 20 30 CFEDMN Cc1ncsc1/C=C\C(=O)c1ccc(O)cc1O ZINC000255268451 618153946 /nfs/dbraw/zinc/15/39/46/618153946.db2.gz OMJGASWSBWVZGP-PLNGDYQASA-N 0 1 261.302 2.759 20 30 CFEDMN Cc1csc(C[C@@H]2CCN(Cc3cncc(C#N)c3)C2)n1 ZINC000933127314 618161502 /nfs/dbraw/zinc/16/15/02/618161502.db2.gz WXIGXVUWPLMLLJ-ZDUSSCGKSA-N 0 1 298.415 2.783 20 30 CFEDMN C=CC(C)(C)CC(=O)N1[C@H](C)CN(C)[C@@H](C)[C@H]1C ZINC000892353847 618178441 /nfs/dbraw/zinc/17/84/41/618178441.db2.gz OICBIFMEOOZYQZ-FRRDWIJNSA-N 0 1 252.402 2.528 20 30 CFEDMN C=CC[N@H+](CC(=O)[O-])Cc1ccccc1OC(F)(F)F ZINC000092469696 618180932 /nfs/dbraw/zinc/18/09/32/618180932.db2.gz KVERGAMMLUETGW-UHFFFAOYSA-N 0 1 289.253 2.658 20 30 CFEDMN C#Cc1cccc(NC(=O)c2cccc3nc[nH]c32)c1 ZINC000157870169 618184753 /nfs/dbraw/zinc/18/47/53/618184753.db2.gz YONLLYZXJPARRB-UHFFFAOYSA-N 0 1 261.284 2.797 20 30 CFEDMN C#CCC1(NCc2csc([C@@H](C)OC)n2)CCC1 ZINC000933298126 618192521 /nfs/dbraw/zinc/19/25/21/618192521.db2.gz CEWKLCOTUABQCB-LLVKDONJSA-N 0 1 264.394 2.886 20 30 CFEDMN Cc1csc(C(C#N)C(=O)C=Cc2cncc(F)c2)n1 ZINC000255322764 618197058 /nfs/dbraw/zinc/19/70/58/618197058.db2.gz JJPDBABMJAOVAT-DLGQBQFBSA-N 0 1 287.319 2.875 20 30 CFEDMN CCCCCCCC(=O)N1CCN(C[C@@H]2CCOC2)CC1 ZINC000178085584 618203965 /nfs/dbraw/zinc/20/39/65/618203965.db2.gz YEXWKQJTYFEKBS-INIZCTEOSA-N 0 1 296.455 2.528 20 30 CFEDMN Cc1ccc(C(=O)Nc2cc(C#N)ccc2O)cc1[N+](=O)[O-] ZINC000176821861 618205780 /nfs/dbraw/zinc/20/57/80/618205780.db2.gz YZNYAMHAASIRNW-UHFFFAOYSA-N 0 1 297.270 2.733 20 30 CFEDMN CCc1ccc(OCC(=O)Nc2cc(C#N)ccc2O)cc1 ZINC000176832844 618210382 /nfs/dbraw/zinc/21/03/82/618210382.db2.gz HQBXKTQMIUHXGD-UHFFFAOYSA-N 0 1 296.326 2.844 20 30 CFEDMN C[C@H](NCC(C)(C)CC#N)c1cn2c(n1)CCCC2 ZINC000926568417 618214846 /nfs/dbraw/zinc/21/48/46/618214846.db2.gz LKNYJRUZSRWBCA-LBPRGKRZSA-N 0 1 260.385 2.810 20 30 CFEDMN C#CC[N@@H+]1CCC[C@H](CNC(=O)c2ccc(C(C)C)cc2)C1 ZINC001023714828 618216185 /nfs/dbraw/zinc/21/61/85/618216185.db2.gz VILLEPGZZHGVGK-MRXNPFEDSA-N 0 1 298.430 2.885 20 30 CFEDMN N#Cc1ccc(CNCc2ccc(Cl)nc2)s1 ZINC000176951120 618235415 /nfs/dbraw/zinc/23/54/15/618235415.db2.gz BNHSQBJWIATWIA-UHFFFAOYSA-N 0 1 263.753 2.958 20 30 CFEDMN C[C@@H]1CCSCCN1Cc1csc(C#N)c1 ZINC000893998323 618263690 /nfs/dbraw/zinc/26/36/90/618263690.db2.gz DAKFQPOFNLCLMX-SNVBAGLBSA-N 0 1 252.408 2.947 20 30 CFEDMN COCCCn1nccc1CN=Nc1cc(F)ccc1F ZINC000901321188 620791213 /nfs/dbraw/zinc/79/12/13/620791213.db2.gz VJCDXZJVMQOVQA-UHFFFAOYSA-N 0 1 294.305 2.644 20 30 CFEDMN CC(C)(CCC#N)CN(CCO)Cc1cccnc1Cl ZINC000793366108 618270324 /nfs/dbraw/zinc/27/03/24/618270324.db2.gz NSPHRHARPLNVSZ-UHFFFAOYSA-N 0 1 295.814 2.859 20 30 CFEDMN CCN1[C@H](C)CN(c2nc(Cl)c(C#N)s2)C[C@@H]1C ZINC000895099175 618289777 /nfs/dbraw/zinc/28/97/77/618289777.db2.gz DPXSHKCKTWHRNW-DTORHVGOSA-N 0 1 284.816 2.587 20 30 CFEDMN CC#CCN1CCCC[C@@H]1CNC(=O)C1CCCCC1 ZINC001024309262 618292403 /nfs/dbraw/zinc/29/24/03/618292403.db2.gz UVTWMRNULWVQRX-MRXNPFEDSA-N 0 1 276.424 2.561 20 30 CFEDMN C#CC[C@H]1CCCN(Cc2c(Cl)n[nH]c2CC)C1 ZINC000895101806 618294061 /nfs/dbraw/zinc/29/40/61/618294061.db2.gz OVAWNRSOANMCOI-NSHDSACASA-N 0 1 265.788 2.861 20 30 CFEDMN CC#CCN1CCCC[C@H]1CNC(=O)c1cscc1C ZINC001024377521 618305357 /nfs/dbraw/zinc/30/53/57/618305357.db2.gz WEZXOFQCELSFSV-AWEZNQCLSA-N 0 1 290.432 2.664 20 30 CFEDMN COc1ccc(CN[C@H]2CCc3cc(C#N)ccc32)nc1 ZINC000894100854 618332578 /nfs/dbraw/zinc/33/25/78/618332578.db2.gz BVFMUHRBSJRNQD-KRWDZBQOSA-N 0 1 279.343 2.739 20 30 CFEDMN COc1ccc(CN[C@@H]2CCc3cc(C#N)ccc32)nc1 ZINC000894100855 618332959 /nfs/dbraw/zinc/33/29/59/618332959.db2.gz BVFMUHRBSJRNQD-QGZVFWFLSA-N 0 1 279.343 2.739 20 30 CFEDMN C=CCN1CCCC[C@H]1CNC(=O)c1ccc(CC)o1 ZINC001024511384 618340809 /nfs/dbraw/zinc/34/08/09/618340809.db2.gz GSWFEYMVQRKAQV-ZDUSSCGKSA-N 0 1 276.380 2.612 20 30 CFEDMN Cc1ccc([N+](=O)[O-])cc1C(=O)Nc1cc(C#N)ccc1O ZINC000179737736 618343381 /nfs/dbraw/zinc/34/33/81/618343381.db2.gz HVTHZLAPDDFASP-UHFFFAOYSA-N 0 1 297.270 2.733 20 30 CFEDMN CCOCCC1(C(=O)Nc2cc(C#N)ccc2O)CCC1 ZINC000179741253 618343496 /nfs/dbraw/zinc/34/34/96/618343496.db2.gz HSZAECOLRCJZFY-UHFFFAOYSA-N 0 1 288.347 2.799 20 30 CFEDMN CC(C)Oc1cccnc1C(=O)Nc1cc(C#N)ccc1O ZINC000179735402 618343817 /nfs/dbraw/zinc/34/38/17/618343817.db2.gz QZDGWTCLNCHATK-UHFFFAOYSA-N 0 1 297.314 2.698 20 30 CFEDMN CCS[C@@H](C(=O)Nc1cc(C#N)ccc1O)C(C)C ZINC000179742855 618346718 /nfs/dbraw/zinc/34/67/18/618346718.db2.gz HLLTZKDCJCWCSX-CYBMUJFWSA-N 0 1 278.377 2.980 20 30 CFEDMN CC#CCCCC(=O)O[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000186304940 618353548 /nfs/dbraw/zinc/35/35/48/618353548.db2.gz UZTHNZJJLKKAJS-KRWDZBQOSA-N 0 1 285.387 2.998 20 30 CFEDMN N#CC1(CNCc2cccc3c2CCOC3)CCCC1 ZINC000895134318 618361421 /nfs/dbraw/zinc/36/14/21/618361421.db2.gz ZPKKVEMXIHPGMW-UHFFFAOYSA-N 0 1 270.376 2.933 20 30 CFEDMN N#C[C@H](C(=O)c1ncsc1C1CC1)c1ccccn1 ZINC000892483679 618362180 /nfs/dbraw/zinc/36/21/80/618362180.db2.gz UOWHAYXZIHBEPD-JTQLQIEISA-N 0 1 269.329 2.906 20 30 CFEDMN N#CC(C(=O)c1ncsc1C1CC1)c1ccccn1 ZINC000892483679 618362188 /nfs/dbraw/zinc/36/21/88/618362188.db2.gz UOWHAYXZIHBEPD-JTQLQIEISA-N 0 1 269.329 2.906 20 30 CFEDMN Cc1cc(CN(C)C[C@H](O)c2cccc(C#N)c2)cnc1F ZINC000895141547 618374489 /nfs/dbraw/zinc/37/44/89/618374489.db2.gz KRJRNDGTTVDWQL-INIZCTEOSA-N 0 1 299.349 2.566 20 30 CFEDMN C#C[C@@H](NCc1ccccc1SC)[C@@H]1CCCO1 ZINC000775794077 618377573 /nfs/dbraw/zinc/37/75/73/618377573.db2.gz OJMMVZJUWXMWDH-KGLIPLIRSA-N 0 1 261.390 2.679 20 30 CFEDMN C[C@@]1(C#N)CCN(C2CC(OCc3ccccc3)C2)C1 ZINC000931062551 618400682 /nfs/dbraw/zinc/40/06/82/618400682.db2.gz KWCIHLYVNLQHGA-JCYILVPMSA-N 0 1 270.376 2.970 20 30 CFEDMN C#C[C@@H](CC)NCc1cc(OC)c(O)cc1Cl ZINC000877513150 618401988 /nfs/dbraw/zinc/40/19/88/618401988.db2.gz MGSYKNQEYWDAED-JTQLQIEISA-N 0 1 253.729 2.556 20 30 CFEDMN C=CCCSCCN[C@@H](C)c1cn(C(C)C)nn1 ZINC000926682752 618414023 /nfs/dbraw/zinc/41/40/23/618414023.db2.gz FKNWKEAWLOCUMN-LBPRGKRZSA-N 0 1 268.430 2.819 20 30 CFEDMN CC#CCN1CCCC[C@H]1CNC(=O)[C@H]1CCCC1(C)C ZINC001024610787 618414978 /nfs/dbraw/zinc/41/49/78/618414978.db2.gz YPDIQPSGUCBJNO-JKSUJKDBSA-N 0 1 290.451 2.807 20 30 CFEDMN C=CCN1CCCC[C@@H]1CNC(=O)c1ccn(CC)c1C ZINC001024617826 618420455 /nfs/dbraw/zinc/42/04/55/618420455.db2.gz LLLLRJYAVFTTMH-OAHLLOKOSA-N 0 1 289.423 2.587 20 30 CFEDMN C=C(C)CN1CCCC[C@@H]1CNC(=O)c1csc(C)n1 ZINC001024616015 618422053 /nfs/dbraw/zinc/42/20/53/618422053.db2.gz NVJMHYSHVYDLNZ-CYBMUJFWSA-N 0 1 293.436 2.612 20 30 CFEDMN C=CCN1CCCC[C@H]1CNC(=O)c1ccoc1C1CC1 ZINC001024619944 618423328 /nfs/dbraw/zinc/42/33/28/618423328.db2.gz JDIUNFJHTNYWGF-AWEZNQCLSA-N 0 1 288.391 2.927 20 30 CFEDMN CCC(CC)CC(=O)C(C#N)C(=O)NCc1ccccc1 ZINC000151587275 618427492 /nfs/dbraw/zinc/42/74/92/618427492.db2.gz QKQKYJNRNDKTTO-HNNXBMFYSA-N 0 1 286.375 2.838 20 30 CFEDMN C=CCN1CCCC[C@H]1CNC(=O)[C@@H]1C[C@H]1CCC ZINC001024642600 618431114 /nfs/dbraw/zinc/43/11/14/618431114.db2.gz XKJVNSWMERFQBC-QLFBSQMISA-N 0 1 264.413 2.579 20 30 CFEDMN C=CCN1CCCC[C@H]1CNC(=O)c1ccc(C)cc1F ZINC001024673298 618438657 /nfs/dbraw/zinc/43/86/57/618438657.db2.gz ADMUAFWSAQJKEG-AWEZNQCLSA-N 0 1 290.382 2.904 20 30 CFEDMN C=CCN1CCCC[C@@H]1CNC(=O)c1cc(C)ccc1F ZINC001024681642 618441830 /nfs/dbraw/zinc/44/18/30/618441830.db2.gz RCKSAMWTMAYQKD-CQSZACIVSA-N 0 1 290.382 2.904 20 30 CFEDMN CC#CCN1CCCC[C@@H]1CNC(=O)[C@H]1CC12CCCC2 ZINC001024745198 618459689 /nfs/dbraw/zinc/45/96/89/618459689.db2.gz QDIPPLPHKAVFMB-HZPDHXFCSA-N 0 1 288.435 2.561 20 30 CFEDMN C=CCN1CCCC[C@H]1CNC(=O)[C@@H]1C[C@H]1c1ccccc1 ZINC001024763526 618464060 /nfs/dbraw/zinc/46/40/60/618464060.db2.gz HSWANZSHJVBWHW-OKZBNKHCSA-N 0 1 298.430 2.947 20 30 CFEDMN C=CCN1CCCC[C@H]1CNC(=O)[C@H]1CC[C@H](C)CC1 ZINC001024766369 618465184 /nfs/dbraw/zinc/46/51/84/618465184.db2.gz QKRTXLCJYCHJRI-JYJNAYRXSA-N 0 1 278.440 2.969 20 30 CFEDMN Fc1ccc2c(c1)C(=NNc1cnc3ccccc3n1)CO2 ZINC000727257040 618474909 /nfs/dbraw/zinc/47/49/09/618474909.db2.gz CIQWJHQIEQWLAH-UHFFFAOYSA-N 0 1 294.289 2.978 20 30 CFEDMN CC(=O)OC[C@@H](C)NCC#Cc1ccc(C(F)(F)F)cc1 ZINC000893359676 618475054 /nfs/dbraw/zinc/47/50/54/618475054.db2.gz CHQCCIOLUIRRHC-LLVKDONJSA-N 0 1 299.292 2.598 20 30 CFEDMN Cc1ccc(N=NCc2cnn(C(C)(C)C)c2)nc1 ZINC000727259905 618475611 /nfs/dbraw/zinc/47/56/11/618475611.db2.gz OQTUMGXULVSPLT-UHFFFAOYSA-N 0 1 257.341 2.788 20 30 CFEDMN CC[C@H](C#N)OC(=O)c1cccc2nc(C(F)F)[nH]c21 ZINC000924080192 618611904 /nfs/dbraw/zinc/61/19/04/618611904.db2.gz LMWSNFDESVAIFQ-SSDOTTSWSA-N 0 1 279.246 2.959 20 30 CFEDMN N#CC(C(=O)CC[C@H]1CC1(Cl)Cl)c1ccncn1 ZINC000850948826 618669424 /nfs/dbraw/zinc/66/94/24/618669424.db2.gz WUEBBSRCIAHCAO-IUCAKERBSA-N 0 1 284.146 2.627 20 30 CFEDMN C=CCN1CCC[C@@H](NC(=O)c2ccc3occc3c2)C1 ZINC001007389608 618675683 /nfs/dbraw/zinc/67/56/83/618675683.db2.gz ABEHHOBVJGYVTE-OAHLLOKOSA-N 0 1 284.359 2.813 20 30 CFEDMN N#CC(C(=O)Cc1cccc(F)c1F)c1ccccn1 ZINC000181009941 618682980 /nfs/dbraw/zinc/68/29/80/618682980.db2.gz DGIHDSKSIHRBFP-LLVKDONJSA-N 0 1 272.254 2.779 20 30 CFEDMN C=C(Cl)CN[C@H]1CCN(C(=O)[C@H]2CC3CCC2CC3)C1 ZINC001019825817 618790217 /nfs/dbraw/zinc/79/02/17/618790217.db2.gz PEKUFVWCMWVWFG-WUCCLRPBSA-N 0 1 296.842 2.756 20 30 CFEDMN CC(C)CN(CCC#N)C(=O)c1[nH]nc2ccccc21 ZINC000070287022 625294626 /nfs/dbraw/zinc/29/46/26/625294626.db2.gz XBQJPGSXWKAWHC-UHFFFAOYSA-N 0 1 270.336 2.575 20 30 CFEDMN C=C(C)CN1CCC[C@H](NC(=O)c2ccccc2F)C1 ZINC001006583814 618830357 /nfs/dbraw/zinc/83/03/57/618830357.db2.gz GQOAVFDTTKQGNF-ZDUSSCGKSA-N 0 1 276.355 2.596 20 30 CFEDMN C=C(C)CN1CCC[C@@H](NC(=O)c2ccc(C)s2)C1 ZINC001006588724 618848936 /nfs/dbraw/zinc/84/89/36/618848936.db2.gz YQRYTHGMSXXCFA-CYBMUJFWSA-N 0 1 278.421 2.827 20 30 CFEDMN CC[C@H](CC#N)NC[C@@H]1CCC[C@H](C(F)(F)F)O1 ZINC000930693421 618924452 /nfs/dbraw/zinc/92/44/52/618924452.db2.gz NIQMROAWUQBMGD-OUAUKWLOSA-N 0 1 264.291 2.768 20 30 CFEDMN C=CCN1CCC[C@@H](NC(=O)Cc2ccc(C)c(C)c2)C1 ZINC001009430273 618993284 /nfs/dbraw/zinc/99/32/84/618993284.db2.gz GHQBMKNTDXZTQE-QGZVFWFLSA-N 0 1 286.419 2.613 20 30 CFEDMN CC1(C)CN(CCOC(=O)CCCCC#N)CC(C)(C)O1 ZINC000893476881 619013313 /nfs/dbraw/zinc/01/33/13/619013313.db2.gz HLJAVZLKJDJIED-UHFFFAOYSA-N 0 1 296.411 2.503 20 30 CFEDMN C#CCC[N@@H+]1CCC[C@H](NC(=O)C2(C)C(C)(C)C2(C)C)C1 ZINC001009747343 619024640 /nfs/dbraw/zinc/02/46/40/619024640.db2.gz AWCSRKIPXUTRED-AWEZNQCLSA-N 0 1 290.451 2.663 20 30 CFEDMN C[C@H](C#N)CN[C@H]1C[C@H](Oc2ccccc2)C1(C)C ZINC000893544092 619057236 /nfs/dbraw/zinc/05/72/36/619057236.db2.gz JIAVYSKKQVGSHA-SNPRPXQTSA-N 0 1 258.365 2.982 20 30 CFEDMN CC[C@H](CC#N)N[C@@H](C)[C@@H]1COc2ccccc2C1 ZINC000893606833 619090662 /nfs/dbraw/zinc/09/06/62/619090662.db2.gz RXZFBEDWWNZFRT-AEGPPILISA-N 0 1 258.365 2.908 20 30 CFEDMN Cc1nc([C@H](C)Nc2cc(C)cc(F)c2C#N)n[nH]1 ZINC000893846794 619228347 /nfs/dbraw/zinc/22/83/47/619228347.db2.gz QTIZKCGFIZUXGP-QMMMGPOBSA-N 0 1 259.288 2.605 20 30 CFEDMN CC(C)(CCC#N)CNc1nc(Cl)nc2[nH]cnc21 ZINC000893868587 619231611 /nfs/dbraw/zinc/23/16/11/619231611.db2.gz WXLFCUUBCLWARR-UHFFFAOYSA-N 0 1 278.747 2.700 20 30 CFEDMN Cc1c[nH]nc1CN=Nc1cccc(Cl)c1F ZINC000814819176 619261581 /nfs/dbraw/zinc/26/15/81/619261581.db2.gz WWFLALKNDHQNCA-UHFFFAOYSA-N 0 1 252.680 2.957 20 30 CFEDMN CO[C@H]1CCN(Cc2csc(C#N)c2)[C@@H](C)C1 ZINC000894255495 619286583 /nfs/dbraw/zinc/28/65/83/619286583.db2.gz ZWXSEEMNKCECLP-JQWIXIFHSA-N 0 1 250.367 2.619 20 30 CFEDMN Cc1[nH]nc(CNc2cccc(OCC#N)c2)c1C ZINC000894421891 619382793 /nfs/dbraw/zinc/38/27/93/619382793.db2.gz JGYJXLFBZFESOX-UHFFFAOYSA-N 0 1 256.309 2.541 20 30 CFEDMN C#Cc1ccc(CNCc2cn(C)nc2C2CC2)cc1 ZINC000894668994 619439026 /nfs/dbraw/zinc/43/90/26/619439026.db2.gz VZVNIBXEICKUAE-UHFFFAOYSA-N 0 1 265.360 2.569 20 30 CFEDMN CC[C@@H](C#N)Oc1cccc(CNCc2cc(C)nn2C)c1 ZINC000841864400 619463373 /nfs/dbraw/zinc/46/33/73/619463373.db2.gz LLKCANNFVRUDIU-INIZCTEOSA-N 0 1 298.390 2.699 20 30 CFEDMN CN(Cc1cc(F)cc(F)c1O)CC(C)(C)C#N ZINC000894857662 619485669 /nfs/dbraw/zinc/48/56/69/619485669.db2.gz MNFIIKNLULUPNN-UHFFFAOYSA-N 0 1 254.280 2.652 20 30 CFEDMN C#CCN(C)CCC[NH2+]Cc1ccc2ccccc2c1[O-] ZINC000894863627 619489391 /nfs/dbraw/zinc/48/93/91/619489391.db2.gz OEKADYFMNHSDFB-UHFFFAOYSA-N 0 1 282.387 2.590 20 30 CFEDMN C#CCC1(O)CCN(Cc2cnc(CC(C)C)s2)CC1 ZINC000895671025 619582994 /nfs/dbraw/zinc/58/29/94/619582994.db2.gz YUNKWGZEULDDOF-UHFFFAOYSA-N 0 1 292.448 2.692 20 30 CFEDMN C#CCN1CCC[C@@H]([NH2+]Cc2ccc3ccccc3c2[O-])C1 ZINC000895747234 619595723 /nfs/dbraw/zinc/59/57/23/619595723.db2.gz GLKFKKXXWPTRCA-QGZVFWFLSA-N 0 1 294.398 2.733 20 30 CFEDMN CN1CC[C@H]1CNc1c(C#N)cnc2c(F)cc(F)cc21 ZINC000895771378 619603286 /nfs/dbraw/zinc/60/32/86/619603286.db2.gz KHCUVPCCUOEYLF-NSHDSACASA-N 0 1 288.301 2.501 20 30 CFEDMN C#CCN1CCC(Nc2cc(C)c([N+](=O)[O-])cc2F)CC1 ZINC000895808628 619609403 /nfs/dbraw/zinc/60/94/03/619609403.db2.gz QUWMTSHBCVNSJE-UHFFFAOYSA-N 0 1 291.326 2.552 20 30 CFEDMN C#CCN1CCC(Nc2ncc(C(C)C)s2)CC1 ZINC000895808878 619609846 /nfs/dbraw/zinc/60/98/46/619609846.db2.gz VULVULBSAQRETO-UHFFFAOYSA-N 0 1 263.410 2.776 20 30 CFEDMN C#CCN1CCC(Nc2cc(C3CC3)nc(C3CC3)n2)CC1 ZINC000895808179 619612315 /nfs/dbraw/zinc/61/23/15/619612315.db2.gz CGILBJPLCIBVGB-UHFFFAOYSA-N 0 1 296.418 2.741 20 30 CFEDMN C=CCC1(O)CCN(Cc2csc(C#N)c2)CC1 ZINC000896059606 619663396 /nfs/dbraw/zinc/66/33/96/619663396.db2.gz ZKQDVNVKIYXUCH-UHFFFAOYSA-N 0 1 262.378 2.523 20 30 CFEDMN C=CCOc1ccc(C[N@@H+]2CC[C@@H](c3noc(C)n3)C2)cc1 ZINC000896237883 619701809 /nfs/dbraw/zinc/70/18/09/619701809.db2.gz VNSGYIUYSGEKRP-OAHLLOKOSA-N 0 1 299.374 2.932 20 30 CFEDMN N#C[C@@H]1CCCN(Cc2cccc(Br)c2O)C1 ZINC000896505950 619752846 /nfs/dbraw/zinc/75/28/46/619752846.db2.gz QQUSBVCMEZWGLL-JTQLQIEISA-N 0 1 295.180 2.890 20 30 CFEDMN Cc1cc(C#N)cc(C)c1C(=O)N[C@H]1CCCc2cn[nH]c21 ZINC000896786181 619815277 /nfs/dbraw/zinc/81/52/77/619815277.db2.gz VCYNUCZUAGPNDQ-AWEZNQCLSA-N 0 1 294.358 2.706 20 30 CFEDMN C=C1CCC(C(=O)N2CCC(c3cnc[nH]3)CC2)CC1 ZINC000896883195 619857851 /nfs/dbraw/zinc/85/78/51/619857851.db2.gz FJFGPIUTYDHVGA-UHFFFAOYSA-N 0 1 273.380 2.862 20 30 CFEDMN N#C[C@H]1CC[C@@H](NCC(=O)N2CCCCc3ccccc32)C1 ZINC000896926195 619892814 /nfs/dbraw/zinc/89/28/14/619892814.db2.gz UQPWXNATARSDRW-GOEBONIOSA-N 0 1 297.402 2.638 20 30 CFEDMN C=CCc1cc(CN(C)CC#CC)cc(OC)c1O ZINC000897166594 619942462 /nfs/dbraw/zinc/94/24/62/619942462.db2.gz RSJGEGLYYQBHQB-UHFFFAOYSA-N 0 1 259.349 2.584 20 30 CFEDMN C#CC[C@H](NC(=O)[C@@H]1CCN1C(C)(C)C)c1ccccc1 ZINC000897232339 619954447 /nfs/dbraw/zinc/95/44/47/619954447.db2.gz NTQFTZNCCTXYOD-HOTGVXAUSA-N 0 1 284.403 2.740 20 30 CFEDMN C=CCC(C)(C)COC(=O)c1ccc([N+](=O)[O-])[nH]1 ZINC000814004058 619959353 /nfs/dbraw/zinc/95/93/53/619959353.db2.gz CQRVFDPFTHIWSP-UHFFFAOYSA-N 0 1 252.270 2.682 20 30 CFEDMN C=C(Cl)CN(C)C1CCN(C(=O)/C=C/C2CC2)CC1 ZINC000985346929 619962158 /nfs/dbraw/zinc/96/21/58/619962158.db2.gz QPNHCWXRKPMTPG-AATRIKPKSA-N 0 1 282.815 2.628 20 30 CFEDMN C=C(Cl)CN(C)C1CCN(C(=O)/C(C)=C/C)CC1 ZINC000985361731 619964709 /nfs/dbraw/zinc/96/47/09/619964709.db2.gz CTDJIDSIMPCOAN-VZUCSPMQSA-N 0 1 270.804 2.628 20 30 CFEDMN C=C(Cl)CN(C)C1CCN(C(=O)C2(C3CC3)CC2)CC1 ZINC000985484768 619985703 /nfs/dbraw/zinc/98/57/03/619985703.db2.gz NJLPDGUOGHLMBQ-UHFFFAOYSA-N 0 1 296.842 2.852 20 30 CFEDMN CCc1onc(C)c1CN[C@H](C)CC1(C#N)CCOCC1 ZINC000897336616 619999870 /nfs/dbraw/zinc/99/98/70/619999870.db2.gz JDFKKJRXCQLKNJ-GFCCVEGCSA-N 0 1 291.395 2.734 20 30 CFEDMN C=C(Cl)CN(C)C1CCN(C(=O)[C@@H]2C[C@H]2C2CC2)CC1 ZINC000985694789 620023786 /nfs/dbraw/zinc/02/37/86/620023786.db2.gz BKZYUACECSUUFD-LSDHHAIUSA-N 0 1 296.842 2.708 20 30 CFEDMN C=C(Cl)CN[C@@H]1CCN(C(=O)C2CCCC2)[C@H]1C ZINC000985871259 620046501 /nfs/dbraw/zinc/04/65/01/620046501.db2.gz RLTHMJFNPBRMAN-WCQYABFASA-N 0 1 270.804 2.508 20 30 CFEDMN C=C(Cl)CN[C@H]1CCN(C(=O)c2ccsc2)[C@@H]1C ZINC000985941116 620053672 /nfs/dbraw/zinc/05/36/72/620053672.db2.gz IMLCPRSQJFGXLX-PWSUYJOCSA-N 0 1 284.812 2.693 20 30 CFEDMN C=C(Cl)CN[C@H]1CCN(C(=O)c2ccc(C)o2)[C@@H]1C ZINC000985954101 620054018 /nfs/dbraw/zinc/05/40/18/620054018.db2.gz BPZBHTRLOHPREK-NEPJUHHUSA-N 0 1 282.771 2.533 20 30 CFEDMN C=C(Cl)CN[C@@H]1CCN(C(=O)C(CC)CC)[C@H]1C ZINC000986002739 620057535 /nfs/dbraw/zinc/05/75/35/620057535.db2.gz MESUYACEQUXPID-WCQYABFASA-N 0 1 272.820 2.754 20 30 CFEDMN C=C(Cl)CN[C@@H]1CCN(C(=O)c2cc(C)c(C)o2)[C@@H]1C ZINC000986153848 620073234 /nfs/dbraw/zinc/07/32/34/620073234.db2.gz QGPIZWPCLSXMCK-DGCLKSJQSA-N 0 1 296.798 2.842 20 30 CFEDMN C=C(Cl)CN[C@@H]1CCN(C(=O)c2coc(C)c2)[C@H]1C ZINC000986198148 620075211 /nfs/dbraw/zinc/07/52/11/620075211.db2.gz NKDWTBUZMRLXPX-WCQYABFASA-N 0 1 282.771 2.533 20 30 CFEDMN C=C(Cl)CN[C@H]1CCN(C(=O)c2ccoc2CC)[C@H]1C ZINC000986234158 620077543 /nfs/dbraw/zinc/07/75/43/620077543.db2.gz LFBAHQMJSPTQCD-AAEUAGOBSA-N 0 1 296.798 2.787 20 30 CFEDMN C=C(Cl)CN[C@@H]1CCN(C(=O)c2ccc(CC)o2)[C@@H]1C ZINC000986431440 620081069 /nfs/dbraw/zinc/08/10/69/620081069.db2.gz IATSVBJVDFLECW-DGCLKSJQSA-N 0 1 296.798 2.787 20 30 CFEDMN C#CC[C@H]1CC[N@@H+](Cc2cc(Br)ccc2[O-])C1 ZINC000862443883 620114474 /nfs/dbraw/zinc/11/44/74/620114474.db2.gz VWQLZHIDDUURAF-NSHDSACASA-N 0 1 294.192 3.000 20 30 CFEDMN C#CC[C@H]1CC[N@H+](Cc2cc(Br)ccc2[O-])C1 ZINC000862443883 620114475 /nfs/dbraw/zinc/11/44/75/620114475.db2.gz VWQLZHIDDUURAF-NSHDSACASA-N 0 1 294.192 3.000 20 30 CFEDMN C(=NNCCN1CCCCC1)c1ccc2cc[nH]c2c1 ZINC000863081073 620150811 /nfs/dbraw/zinc/15/08/11/620150811.db2.gz XCMIMKBTUFMUQA-UHFFFAOYSA-N 0 1 270.380 2.577 20 30 CFEDMN CC(C)CC(=O)N1C[C@@H](NCc2ccccc2C#N)C[C@H]1C ZINC000987865619 620157627 /nfs/dbraw/zinc/15/76/27/620157627.db2.gz IVMPKNBZKNEKEF-PBHICJAKSA-N 0 1 299.418 2.683 20 30 CFEDMN C=C(Cl)CN[C@H]1C[C@H](C)N(C(=O)c2ccoc2C)C1 ZINC000987998277 620160043 /nfs/dbraw/zinc/16/00/43/620160043.db2.gz WTYUWNIUAMHDCJ-JQWIXIFHSA-N 0 1 282.771 2.533 20 30 CFEDMN C=C(Cl)CN[C@@H]1C[C@H](C)N(C(=O)CCc2ccco2)C1 ZINC000988047493 620160782 /nfs/dbraw/zinc/16/07/82/620160782.db2.gz GFYDGWOPSHCFGG-QWHCGFSZSA-N 0 1 296.798 2.544 20 30 CFEDMN N#Cc1c(F)cccc1CNC[C@@H]1CC[C@H](C2CC2)O1 ZINC000897505088 620195497 /nfs/dbraw/zinc/19/54/97/620195497.db2.gz IRFGXYWSTPINCP-XJKSGUPXSA-N 0 1 274.339 2.745 20 30 CFEDMN C/C=C(/C)C(=O)N1C[C@H](NCc2ccccc2C#N)C[C@@H]1C ZINC000988511961 620196381 /nfs/dbraw/zinc/19/63/81/620196381.db2.gz KRCIUPWIRAYEAN-SETZSJPOSA-N 0 1 297.402 2.603 20 30 CFEDMN C=C(Cl)CN[C@H]1C[C@H](C)N(C(=O)C(F)=C(C)C)C1 ZINC000988591577 620203714 /nfs/dbraw/zinc/20/37/14/620203714.db2.gz RHKMFTDZGRJEAE-QWRGUYRKSA-N 0 1 274.767 2.581 20 30 CFEDMN C=CCCO[C@H](C)C(=O)C(C#N)c1nc(C)cs1 ZINC000067785608 620234752 /nfs/dbraw/zinc/23/47/52/620234752.db2.gz CVIFLIBPKYHWQT-MNOVXSKESA-N 0 1 264.350 2.609 20 30 CFEDMN CCOc1ccccc1NC(=O)C(C#N)C(=O)c1ccoc1 ZINC000113141323 620243106 /nfs/dbraw/zinc/24/31/06/620243106.db2.gz ODKKZAAQJINOBX-GFCCVEGCSA-N 0 1 298.298 2.639 20 30 CFEDMN C=C(Cl)CN[C@@H]1C[C@H](C)N(C(=O)C2CC3(CCC3)C2)C1 ZINC000989314590 620244725 /nfs/dbraw/zinc/24/47/25/620244725.db2.gz BRNPUTIHKOGDSC-GXTWGEPZSA-N 0 1 296.842 2.898 20 30 CFEDMN N#Cc1ccc([C@@H]2CN(Cc3ccccc3O)CCO2)cc1 ZINC000897592264 620253403 /nfs/dbraw/zinc/25/34/03/620253403.db2.gz TXGQGBCMURZMML-SFHVURJKSA-N 0 1 294.354 2.837 20 30 CFEDMN C=C(Cl)CN[C@H]1C[C@@H](C)N(C(=O)c2occc2CC)C1 ZINC000989413616 620260712 /nfs/dbraw/zinc/26/07/12/620260712.db2.gz KOAPJJLPXCRFPY-YPMHNXCESA-N 0 1 296.798 2.787 20 30 CFEDMN C=CCC(C)(C)CNC(=O)[C@H]1CCN1C(C)(C)C ZINC000897841463 620292253 /nfs/dbraw/zinc/29/22/53/620292253.db2.gz QFJSFXAOVAPJJN-GFCCVEGCSA-N 0 1 252.402 2.578 20 30 CFEDMN C=CCCC[N@H+](CC)Cc1cn(Cc2cccnc2)nn1 ZINC000898246763 620356756 /nfs/dbraw/zinc/35/67/56/620356756.db2.gz ZAZKTTAPIOFFGF-UHFFFAOYSA-N 0 1 285.395 2.510 20 30 CFEDMN C=CCCCN(CC)Cc1cn(Cc2cccnc2)nn1 ZINC000898246763 620356758 /nfs/dbraw/zinc/35/67/58/620356758.db2.gz ZAZKTTAPIOFFGF-UHFFFAOYSA-N 0 1 285.395 2.510 20 30 CFEDMN C=CCN1CCCN(C(=O)c2ccc3c(c2)CCCC3)CC1 ZINC000989609133 620383015 /nfs/dbraw/zinc/38/30/15/620383015.db2.gz SQLJOOPJENHAEC-UHFFFAOYSA-N 0 1 298.430 2.899 20 30 CFEDMN C=C(C)CN1CCCN(C(=O)c2c(C)cccc2F)CC1 ZINC000989798382 620392543 /nfs/dbraw/zinc/39/25/43/620392543.db2.gz YKBDDSCISPGMAL-UHFFFAOYSA-N 0 1 290.382 2.858 20 30 CFEDMN C=CCN1CC[C@@]2(NC(=O)c3sccc3C)CCC[C@H]12 ZINC000989909177 620401446 /nfs/dbraw/zinc/40/14/46/620401446.db2.gz CZPYQYZHSPYHEQ-BBRMVZONSA-N 0 1 290.432 2.969 20 30 CFEDMN C#CC[N@H+]1CC[C@@]2(NC(=O)C=C3CCCCC3)CCC[C@H]12 ZINC000989998595 620407325 /nfs/dbraw/zinc/40/73/25/620407325.db2.gz GIUUVEDEYYYQKU-WMZOPIPTSA-N 0 1 286.419 2.623 20 30 CFEDMN Cc1cc(C#N)cc(C)c1CN1C[C@@H](C)OC[C@@H]1C ZINC000929183634 620409277 /nfs/dbraw/zinc/40/92/77/620409277.db2.gz YTXAVIFGFJGDAT-UONOGXRCSA-N 0 1 258.365 2.784 20 30 CFEDMN C=CC(C)(C)NCc1ccc(NC(=O)OC(C)(C)C)nn1 ZINC000898460175 620466909 /nfs/dbraw/zinc/46/69/09/620466909.db2.gz FZBKXYHVWOEQCP-UHFFFAOYSA-N 0 1 292.383 2.878 20 30 CFEDMN C=CC[C@@H]1CCCC[C@H]1NC(=O)c1cncc2nc[nH]c21 ZINC000898579715 620481098 /nfs/dbraw/zinc/48/10/98/620481098.db2.gz UVBMKCGDTZREQQ-DGCLKSJQSA-N 0 1 284.363 2.823 20 30 CFEDMN C=CC[C@H](C(=O)N1CC(N2CCCC2)C1)c1ccccc1 ZINC000898603306 620481432 /nfs/dbraw/zinc/48/14/32/620481432.db2.gz LMIRKASCNHRPQQ-KRWDZBQOSA-N 0 1 284.403 2.653 20 30 CFEDMN C=CC(C)(C)CCNC(=O)[C@H]1CCN1C(C)(C)C ZINC000899126652 620524301 /nfs/dbraw/zinc/52/43/01/620524301.db2.gz SDKDYCYWHZJZNM-GFCCVEGCSA-N 0 1 252.402 2.578 20 30 CFEDMN C#CCCc1cc(=O)n([C@@H]2CCc3c2cccc3F)[nH]1 ZINC000899356809 620550826 /nfs/dbraw/zinc/55/08/26/620550826.db2.gz UAYSSFJTZGQJLX-OAHLLOKOSA-N 0 1 270.307 2.815 20 30 CFEDMN Cc1[nH]n(-c2ccc(F)c(F)c2)c(=O)c1CCC#N ZINC000899361257 620552678 /nfs/dbraw/zinc/55/26/78/620552678.db2.gz WLIYEKBWGPBPQO-JTQLQIEISA-N 0 1 263.247 2.607 20 30 CFEDMN O=C(/C=C\c1cnn(CC2CCC2)c1)c1ccc(O)cc1O ZINC000899362118 620553110 /nfs/dbraw/zinc/55/31/10/620553110.db2.gz KPVUNSONBRYICN-DAXSKMNVSA-N 0 1 298.342 2.991 20 30 CFEDMN CC(C)(C)c1n[nH]c(SCc2cc(C#N)ccn2)n1 ZINC000901445803 620822983 /nfs/dbraw/zinc/82/29/83/620822983.db2.gz FDJCUVWESIRDLX-UHFFFAOYSA-N 0 1 273.365 2.661 20 30 CFEDMN CC(C)(C)c1nc(SCc2cc(C#N)ccn2)n[nH]1 ZINC000901445803 620822984 /nfs/dbraw/zinc/82/29/84/620822984.db2.gz FDJCUVWESIRDLX-UHFFFAOYSA-N 0 1 273.365 2.661 20 30 CFEDMN C=CC[N@H+](CC(=O)[O-])Cc1ccc(N2CCCCC2)cc1 ZINC000901587458 620862971 /nfs/dbraw/zinc/86/29/71/620862971.db2.gz VVIPVNSORIAAPL-UHFFFAOYSA-N 0 1 288.391 2.750 20 30 CFEDMN N#CCC[C@@H](C#N)CNCC[C@@H]1OCCc2ccccc21 ZINC000901630689 620875251 /nfs/dbraw/zinc/87/52/51/620875251.db2.gz KGTMTTZEJVVUBB-YOEHRIQHSA-N 0 1 283.375 2.724 20 30 CFEDMN C#CCCCCCC[N@@H+]1CC[C@](C(=O)[O-])(C(F)(F)F)C1 ZINC000901790751 620916723 /nfs/dbraw/zinc/91/67/23/620916723.db2.gz ZTMSRMLKLWITQA-ZDUSSCGKSA-N 0 1 291.313 2.909 20 30 CFEDMN C#CCCCCCC[N@H+]1CC2(CCC2)[C@@](F)(C(=O)[O-])C1 ZINC000901909449 620938195 /nfs/dbraw/zinc/93/81/95/620938195.db2.gz CDULEWYWTIPXFN-INIZCTEOSA-N 0 1 281.371 2.849 20 30 CFEDMN C#CCCOc1ccc(C[N@H+](CC(=O)[O-])[C@@H](C)CC)cc1 ZINC000901986776 620949691 /nfs/dbraw/zinc/94/96/91/620949691.db2.gz CJWWTCUFFRXETP-AWEZNQCLSA-N 0 1 289.375 2.774 20 30 CFEDMN C#CCCCCCC[N@@H+]1C[C@@H]2CCC[C@@H]2[C@@H]1C(=O)[O-] ZINC000902012903 620957917 /nfs/dbraw/zinc/95/79/17/620957917.db2.gz SCWRLCYNXLIEID-SOUVJXGZSA-N 0 1 263.381 2.755 20 30 CFEDMN C#Cc1ccc(C[N@H+](C)[C@@H](CC(C)C)C(=O)[O-])cc1 ZINC000902019419 620960070 /nfs/dbraw/zinc/96/00/70/620960070.db2.gz PKLYUFSZEWGKKX-HNNXBMFYSA-N 0 1 259.349 2.599 20 30 CFEDMN C#CCCCCCC[N@@H+]1CCCCC[C@H]1C(=O)[O-] ZINC000902037422 620961374 /nfs/dbraw/zinc/96/13/74/620961374.db2.gz XVCAYSBZFBDOBO-AWEZNQCLSA-N 0 1 251.370 2.899 20 30 CFEDMN C=CC[N@H+](CCc1ccccc1)Cc1cc(C(=O)[O-])no1 ZINC000902179388 620990062 /nfs/dbraw/zinc/99/00/62/620990062.db2.gz SYJBHQWDAHRHEQ-UHFFFAOYSA-N 0 1 286.331 2.604 20 30 CFEDMN C#CCCCCCC[N@@H+]1C[C@@H](C)[C@H](CC(=O)[O-])C1 ZINC000902562094 621122648 /nfs/dbraw/zinc/12/26/48/621122648.db2.gz MNAFOUXQFOJRNV-ZIAGYGMSSA-N 0 1 251.370 2.613 20 30 CFEDMN C=CCCCN(CC)Cn1c2ccccc2oc1=O ZINC000902669991 621148710 /nfs/dbraw/zinc/14/87/10/621148710.db2.gz WJMZZHOCCMSPMG-UHFFFAOYSA-N 0 1 260.337 2.840 20 30 CFEDMN CC[C@H](NCc1cnn(C)c1)c1cccc(C#N)c1 ZINC000902760629 621167231 /nfs/dbraw/zinc/16/72/31/621167231.db2.gz IUEOOLZNSYWONU-HNNXBMFYSA-N 0 1 254.337 2.533 20 30 CFEDMN C=CCC[C@H](NCc1cn(CC)nn1)[C@@]1(C)CCCCO1 ZINC000903049615 621241558 /nfs/dbraw/zinc/24/15/58/621241558.db2.gz BINUDYZHGWYJAG-JKSUJKDBSA-N 0 1 292.427 2.682 20 30 CFEDMN C[C@@H](NCC(C)(C)C#N)c1cccc(N2CCOCC2)c1 ZINC000903100823 621252702 /nfs/dbraw/zinc/25/27/02/621252702.db2.gz ZWNGEVOKPJUPIW-CQSZACIVSA-N 0 1 287.407 2.724 20 30 CFEDMN C=C(Cl)CN[C@@H](C)C1(NC(=O)OC(C)(C)C)CC1 ZINC000903121552 621261404 /nfs/dbraw/zinc/26/14/04/621261404.db2.gz RRZPZUFZWBMKIG-JTQLQIEISA-N 0 1 274.792 2.774 20 30 CFEDMN C=C[C@H](CO)N[C@H]1CCCc2c(OC)ccc(Cl)c21 ZINC000903204162 621285483 /nfs/dbraw/zinc/28/54/83/621285483.db2.gz QTKICBABAZESSK-MFKMUULPSA-N 0 1 281.783 2.863 20 30 CFEDMN N#Cc1ccc2c(c1)[C@H](NCc1cnn(CCF)c1)CC2 ZINC000903273560 621309233 /nfs/dbraw/zinc/30/92/33/621309233.db2.gz ARTAEPNEJOIHAA-MRXNPFEDSA-N 0 1 284.338 2.501 20 30 CFEDMN C[C@H](NCc1cnn(CCF)c1)c1ccc(C#N)c(F)c1 ZINC000903274930 621309968 /nfs/dbraw/zinc/30/99/68/621309968.db2.gz UBHGTUOBXWVSLD-NSHDSACASA-N 0 1 290.317 2.714 20 30 CFEDMN CCCCCCCC[C@H](CO)N[C@H]1C[C@@H](C)n2ncnc21 ZINC000903318408 621331361 /nfs/dbraw/zinc/33/13/61/621331361.db2.gz KDTQCUAOIFETDD-KFWWJZLASA-N 0 1 294.443 2.985 20 30 CFEDMN Cc1cc(C#N)cc(C)c1C[N@@H+]1C[C@@H](C(=O)[O-])CC[C@@H]1C ZINC000903407359 621362739 /nfs/dbraw/zinc/36/27/39/621362739.db2.gz GRLAIKYUIDFCKW-ZFWWWQNUSA-N 0 1 286.375 2.860 20 30 CFEDMN C=CCCCC[N@@H+]1CC[C@H](C(=O)[O-])C[C@H]1[C@@H]1CCCO1 ZINC000903945048 621483477 /nfs/dbraw/zinc/48/34/77/621483477.db2.gz UQRPPEFSNQDAJO-KKUMJFAQSA-N 0 1 281.396 2.687 20 30 CFEDMN N#Cc1sccc1-c1ccc([C@@H]2COCCN2)cc1 ZINC000904894972 621673527 /nfs/dbraw/zinc/67/35/27/621673527.db2.gz LGPUAUIBIAPHLW-AWEZNQCLSA-N 0 1 270.357 2.948 20 30 CFEDMN Cc1nn(C)cc1/C=C/C(=O)c1cccc(CN(C)C)c1 ZINC000905078871 621690130 /nfs/dbraw/zinc/69/01/30/621690130.db2.gz YBEVKZCMXPVREQ-CMDGGOBGSA-N 0 1 283.375 2.686 20 30 CFEDMN Cc1cc(/C=C/C(=O)c2cccc(CN(C)C)c2)nn1C ZINC000905078908 621690201 /nfs/dbraw/zinc/69/02/01/621690201.db2.gz YWMBJGLGYGRKGT-CMDGGOBGSA-N 0 1 283.375 2.686 20 30 CFEDMN CC(C)(C(=O)Nc1ccc(CC#N)cc1)N1CCCCC1 ZINC000905319281 621741252 /nfs/dbraw/zinc/74/12/52/621741252.db2.gz YSJWOYATVNTURJ-UHFFFAOYSA-N 0 1 285.391 2.956 20 30 CFEDMN O=[N+]([O-])c1cc(N=NC2C[C@H]3CCC[N@H+](C2)C3)ccc1F ZINC000905461933 621778618 /nfs/dbraw/zinc/77/86/18/621778618.db2.gz LBXZOZBESDRBNX-SNVBAGLBSA-N 0 1 292.314 2.618 20 30 CFEDMN O=[N+]([O-])c1cc(N=NC2C[C@H]3CCCN(C2)C3)ccc1F ZINC000905461933 621778620 /nfs/dbraw/zinc/77/86/20/621778620.db2.gz LBXZOZBESDRBNX-SNVBAGLBSA-N 0 1 292.314 2.618 20 30 CFEDMN CCOCc1nc(C)cc(NN=C(C)c2ccoc2)n1 ZINC000905505300 621783246 /nfs/dbraw/zinc/78/32/46/621783246.db2.gz UFGXDMKAWCHMFC-UHFFFAOYSA-N 0 1 274.324 2.751 20 30 CFEDMN CC(C)(C)c1n[nH]c(SC[C@@H](O)CC2(C#N)CCC2)n1 ZINC000905892865 621892036 /nfs/dbraw/zinc/89/20/36/621892036.db2.gz BXAXYPSSRRBILN-JTQLQIEISA-N 0 1 294.424 2.639 20 30 CFEDMN CC(C)(C)c1nc(SC[C@@H](O)CC2(C#N)CCC2)n[nH]1 ZINC000905892865 621892039 /nfs/dbraw/zinc/89/20/39/621892039.db2.gz BXAXYPSSRRBILN-JTQLQIEISA-N 0 1 294.424 2.639 20 30 CFEDMN CC(C)(C)c1n[nH]c(SC[C@H](O)CC2(C#N)CCC2)n1 ZINC000905892866 621892182 /nfs/dbraw/zinc/89/21/82/621892182.db2.gz BXAXYPSSRRBILN-SNVBAGLBSA-N 0 1 294.424 2.639 20 30 CFEDMN CC(C)(C)c1nc(SC[C@H](O)CC2(C#N)CCC2)n[nH]1 ZINC000905892866 621892186 /nfs/dbraw/zinc/89/21/86/621892186.db2.gz BXAXYPSSRRBILN-SNVBAGLBSA-N 0 1 294.424 2.639 20 30 CFEDMN CCc1nc[nH]c1C(=O)Nc1cccc(OCCCC#N)c1 ZINC000906325605 621974657 /nfs/dbraw/zinc/97/46/57/621974657.db2.gz FFRZCNSUHXVHFN-UHFFFAOYSA-N 0 1 298.346 2.907 20 30 CFEDMN CC(C)(C(=O)Nc1ccc(F)c(C#N)c1)N1CCCCC1 ZINC000906547565 622003261 /nfs/dbraw/zinc/00/32/61/622003261.db2.gz CJJSQOMBWUWSMT-UHFFFAOYSA-N 0 1 289.354 2.900 20 30 CFEDMN CCn1nc(C(=O)Nc2cc(C#N)ccc2O)cc1C1CC1 ZINC000907146215 622093059 /nfs/dbraw/zinc/09/30/59/622093059.db2.gz WJJUEABHVWXLOX-UHFFFAOYSA-N 0 1 296.330 2.610 20 30 CFEDMN Cc1cc(Br)cc(CNC[C@@H](C)C#N)c1O ZINC000183814650 625544484 /nfs/dbraw/zinc/54/44/84/625544484.db2.gz CVARLZPUIYIHCN-QMMMGPOBSA-N 0 1 283.169 2.712 20 30 CFEDMN C=CCCC(=O)[C@@H]1CCCN1C(=O)c1cc(C(C)C)[nH]n1 ZINC000908644544 622253797 /nfs/dbraw/zinc/25/37/97/622253797.db2.gz MSJYGCCIBCOHCF-AWEZNQCLSA-N 0 1 289.379 2.673 20 30 CFEDMN C#CCCCCCCOC(=O)Cc1n[nH]c2c1CCCC2 ZINC000909197430 622325481 /nfs/dbraw/zinc/32/54/81/622325481.db2.gz VNGPDGJLJUAKKD-UHFFFAOYSA-N 0 1 288.391 2.958 20 30 CFEDMN CCCCCCCC(=O)N1CCN(C(C)(C)COC)CC1 ZINC000819635645 622541068 /nfs/dbraw/zinc/54/10/68/622541068.db2.gz VSGWYPGTBJVVAT-UHFFFAOYSA-N 0 1 298.471 2.916 20 30 CFEDMN CC(C)n1cncc1C=NNc1cccc(Cl)n1 ZINC000819813335 622561524 /nfs/dbraw/zinc/56/15/24/622561524.db2.gz NFROMIHCNYUJAA-UHFFFAOYSA-N 0 1 263.732 2.958 20 30 CFEDMN CC1(C)CC(N=Nc2ccncn2)c2cc(F)ccc2O1 ZINC000819814067 622562553 /nfs/dbraw/zinc/56/25/53/622562553.db2.gz WNRHSKLNGDEBSY-UHFFFAOYSA-N 0 1 286.310 2.993 20 30 CFEDMN C[C@@H](NN=Cc1cc(C(F)(F)F)n[nH]1)c1ccncc1 ZINC000819817152 622564324 /nfs/dbraw/zinc/56/43/24/622564324.db2.gz WSFJWSWGCHTMNH-MRVPVSSYSA-N 0 1 283.257 2.508 20 30 CFEDMN C#C[C@@H](C)NC(=O)N1CCC[C@H]1c1nc2ccc(C)cc2[nH]1 ZINC000820430070 622672202 /nfs/dbraw/zinc/67/22/02/622672202.db2.gz ZJERFJBCRGVZNO-DOMZBBRYSA-N 0 1 296.374 2.740 20 30 CFEDMN CC(C)OC1(C(=O)Nc2cc(C#N)ccc2O)CCC1 ZINC000821348578 622902054 /nfs/dbraw/zinc/90/20/54/622902054.db2.gz DISURALQCPFUEX-UHFFFAOYSA-N 0 1 274.320 2.550 20 30 CFEDMN N#C[C@@H]1CCCC[C@H]1OC(=O)c1cc2[nH]cnc2cc1F ZINC000821379570 622908344 /nfs/dbraw/zinc/90/83/44/622908344.db2.gz CDXYTPYMOYAZGM-LKFCYVNXSA-N 0 1 287.294 2.941 20 30 CFEDMN C#CCCCC(=O)N1CCc2nc[nH]c2[C@H]1c1ccccc1 ZINC000913512190 622909407 /nfs/dbraw/zinc/90/94/07/622909407.db2.gz UATQSAIHSVRMKL-GOSISDBHSA-N 0 1 293.370 2.687 20 30 CFEDMN Cc1ccc2ncc(/C=C/C(=O)c3ccc(O)cc3O)n2c1 ZINC000151445337 622910221 /nfs/dbraw/zinc/91/02/21/622910221.db2.gz NVXWBIGZCMCVRA-ZZXKWVIFSA-N 0 1 294.310 2.950 20 30 CFEDMN C[C@H](C(=O)NCC#CCN(C)C)c1ccc2ccccc2c1 ZINC000913519705 622910927 /nfs/dbraw/zinc/91/09/27/622910927.db2.gz LIGMERNMFTWMPP-HNNXBMFYSA-N 0 1 294.398 2.625 20 30 CFEDMN C=C[C@@H](CC)CC(=O)N1CCN(CC)C[C@@H]1CC ZINC000821782006 622975020 /nfs/dbraw/zinc/97/50/20/622975020.db2.gz RQJWYDHFYOKWQF-KBPBESRZSA-N 0 1 252.402 2.531 20 30 CFEDMN C=C[C@@H](CC)CC(=O)N1CCN([C@@H](C)CC)CC1 ZINC000821848482 622992942 /nfs/dbraw/zinc/99/29/42/622992942.db2.gz STKQSHUCOVHDOG-KBPBESRZSA-N 0 1 252.402 2.531 20 30 CFEDMN CC(C)[C@@H](C(=O)O[C@H](C#N)C1CCCCC1)N(C)C ZINC000803696377 623020339 /nfs/dbraw/zinc/02/03/39/623020339.db2.gz ALJMSTDUXGZSKX-KGLIPLIRSA-N 0 1 266.385 2.588 20 30 CFEDMN C=CC[N@H+](CC(=O)[O-])Cc1cccc(Cl)c1F ZINC000167049408 623043381 /nfs/dbraw/zinc/04/33/81/623043381.db2.gz FQZJGEKMWADZCV-UHFFFAOYSA-N 0 1 257.692 2.552 20 30 CFEDMN C#C[C@H](CC)NCc1ccccc1Br ZINC000229517921 623209593 /nfs/dbraw/zinc/20/95/93/623209593.db2.gz WUSIMWHSRUZRAX-LLVKDONJSA-N 0 1 252.155 2.951 20 30 CFEDMN CCCCC[C@H](C)CC(=O)C(C#N)C(=O)N1CCCC1 ZINC000173935088 623374983 /nfs/dbraw/zinc/37/49/83/623374983.db2.gz GFQIVISBXJVXKQ-UONOGXRCSA-N 0 1 278.396 2.924 20 30 CFEDMN N#CC(C(=O)C1CCCCCCC1)C(=O)N1CCCC1 ZINC000173935494 623375071 /nfs/dbraw/zinc/37/50/71/623375071.db2.gz ZMANUFZAWJHOCI-CQSZACIVSA-N 0 1 276.380 2.678 20 30 CFEDMN CCCCCC[C@@H](C)C(=O)C(C#N)C(=O)NC1CC1 ZINC000173974422 623377853 /nfs/dbraw/zinc/37/78/53/623377853.db2.gz AJASPAURGFGUST-DGCLKSJQSA-N 0 1 264.369 2.580 20 30 CFEDMN C=CCN1CC[C@@H](NC(=O)CC2CC(c3ccccc3)C2)C1 ZINC001015004454 623449495 /nfs/dbraw/zinc/44/94/95/623449495.db2.gz PIDDROBYDPKQIC-VMWRSERWSA-N 0 1 298.430 2.947 20 30 CFEDMN C=CCN1CC[C@@]2(NC(=O)c3occc3Cl)CCC[C@@H]12 ZINC000992170005 623477475 /nfs/dbraw/zinc/47/74/75/623477475.db2.gz JKHXVCDVSUBNMM-DOMZBBRYSA-N 0 1 294.782 2.846 20 30 CFEDMN C#CC[N@H+](CC)Cc1ccc(Br)cc1[O-] ZINC000824621926 623534237 /nfs/dbraw/zinc/53/42/37/623534237.db2.gz YYNDSBOOJUEBQK-UHFFFAOYSA-N 0 1 268.154 2.610 20 30 CFEDMN C#CC[N@@H+](CC)Cc1ccc(Br)cc1[O-] ZINC000824621926 623534233 /nfs/dbraw/zinc/53/42/33/623534233.db2.gz YYNDSBOOJUEBQK-UHFFFAOYSA-N 0 1 268.154 2.610 20 30 CFEDMN COC(=O)C1(C#N)CCN(C[C@H]2C[C@@H]2c2ccccc2)CC1 ZINC000824867084 623581037 /nfs/dbraw/zinc/58/10/37/623581037.db2.gz LNTBXANJHYUYOO-HZPDHXFCSA-N 0 1 298.386 2.569 20 30 CFEDMN CC#CCN1CC[C@H](NC(=O)C2CCCCCCC2)C1 ZINC001015217810 623623004 /nfs/dbraw/zinc/62/30/04/623623004.db2.gz DYOFLJZBKMNICW-INIZCTEOSA-N 0 1 276.424 2.561 20 30 CFEDMN C#Cc1cccc(CNCc2cnn(CCC)c2)c1 ZINC000825227636 623653609 /nfs/dbraw/zinc/65/36/09/623653609.db2.gz VZZKZCBGLNRAEG-UHFFFAOYSA-N 0 1 253.349 2.564 20 30 CFEDMN CCN(C[C@H](C)C#N)C(=O)CN1CCC(CC(C)C)CC1 ZINC000760920533 623694509 /nfs/dbraw/zinc/69/45/09/623694509.db2.gz MVKWGEYHBAOKMS-OAHLLOKOSA-N 0 1 293.455 2.753 20 30 CFEDMN N#CC1(CNC(=O)c2cccc(F)c2O)CCCCC1 ZINC000825458553 623697201 /nfs/dbraw/zinc/69/72/01/623697201.db2.gz KVZRVHJDBWYGEK-UHFFFAOYSA-N 0 1 276.311 2.735 20 30 CFEDMN C#C[C@H]([NH2+]Cc1cc(Cl)c(C)cc1[O-])[C@@H]1CCCO1 ZINC000825548567 623713593 /nfs/dbraw/zinc/71/35/93/623713593.db2.gz HQWYSWRKULUUQB-ZFWWWQNUSA-N 0 1 279.767 2.624 20 30 CFEDMN C=CC[N@H+](CCOC)Cc1cc(Cl)c(C)cc1O ZINC000825686136 623739895 /nfs/dbraw/zinc/73/98/95/623739895.db2.gz UJCWFXUTFXFBON-UHFFFAOYSA-N 0 1 269.772 2.988 20 30 CFEDMN C=CC[N@@H+](CCOC)Cc1cc(Cl)c(C)cc1[O-] ZINC000825686136 623739898 /nfs/dbraw/zinc/73/98/98/623739898.db2.gz UJCWFXUTFXFBON-UHFFFAOYSA-N 0 1 269.772 2.988 20 30 CFEDMN C=CC[N@H+](CCOC)Cc1cc(Cl)c(C)cc1[O-] ZINC000825686136 623739905 /nfs/dbraw/zinc/73/99/05/623739905.db2.gz UJCWFXUTFXFBON-UHFFFAOYSA-N 0 1 269.772 2.988 20 30 CFEDMN C=CCC1(C(=O)NCc2cc(CC)[nH]n2)CCCC1 ZINC000825819218 623757250 /nfs/dbraw/zinc/75/72/50/623757250.db2.gz UFLSDMMKWABJSZ-UHFFFAOYSA-N 0 1 261.369 2.725 20 30 CFEDMN C#Cc1cccc(N(CC)C(=O)[C@H]2CCc3[nH]cnc3C2)c1 ZINC000825980117 623778560 /nfs/dbraw/zinc/77/85/60/623778560.db2.gz RVEFXQSULOBSDN-AWEZNQCLSA-N 0 1 293.370 2.549 20 30 CFEDMN CC#CCCCC(=O)Nc1ccc(N2CCN(C)CC2)cc1 ZINC000185010404 625675394 /nfs/dbraw/zinc/67/53/94/625675394.db2.gz VGNNXXUFGDWUBM-UHFFFAOYSA-N 0 1 299.418 2.571 20 30 CFEDMN C=C[C@@H]1OCC[C@H]1[NH2+]Cc1cc(Cl)c(C)cc1[O-] ZINC000826064088 623788546 /nfs/dbraw/zinc/78/85/46/623788546.db2.gz DOGUTQARNAXJKV-OCCSQVGLSA-N 0 1 267.756 2.787 20 30 CFEDMN C=CCN1CCC[C@H](NC(=O)c2ccc(F)cc2)[C@@H]1C ZINC000992946336 623814984 /nfs/dbraw/zinc/81/49/84/623814984.db2.gz FCDWKJLOYNFZSR-WFASDCNBSA-N 0 1 276.355 2.594 20 30 CFEDMN C#CCC[N@@H+]1CCC[C@H](NC(=O)c2sccc2C)[C@H]1C ZINC000992982630 623827506 /nfs/dbraw/zinc/82/75/06/623827506.db2.gz MWYMNBRGKJMYIA-KGLIPLIRSA-N 0 1 290.432 2.663 20 30 CFEDMN C#CCCN1CCC[C@H](NC(=O)c2sccc2C)[C@H]1C ZINC000992982630 623827514 /nfs/dbraw/zinc/82/75/14/623827514.db2.gz MWYMNBRGKJMYIA-KGLIPLIRSA-N 0 1 290.432 2.663 20 30 CFEDMN C#CCC[N@@H+]1CCC[C@@H](NC(=O)C2CCCCC2)[C@H]1C ZINC000992987361 623834676 /nfs/dbraw/zinc/83/46/76/623834676.db2.gz NTTYDAGEBAIECT-GDBMZVCRSA-N 0 1 276.424 2.559 20 30 CFEDMN CC#CC[N@H+]1CCC[C@@H](NC(=O)C2CCCCC2)[C@H]1C ZINC000992987594 623835085 /nfs/dbraw/zinc/83/50/85/623835085.db2.gz PPQDVJCGFHEGKW-GDBMZVCRSA-N 0 1 276.424 2.559 20 30 CFEDMN CC#CCN1CCC[C@@H](NC(=O)C2CCCCC2)[C@H]1C ZINC000992987594 623835091 /nfs/dbraw/zinc/83/50/91/623835091.db2.gz PPQDVJCGFHEGKW-GDBMZVCRSA-N 0 1 276.424 2.559 20 30 CFEDMN C=CC[N@@H+]1CCC[C@@H](NC(=O)c2cccc(F)c2)[C@H]1C ZINC000992986976 623835144 /nfs/dbraw/zinc/83/51/44/623835144.db2.gz JDWKJZRFUAIGRU-IUODEOHRSA-N 0 1 276.355 2.594 20 30 CFEDMN C=CCN1CCC[C@@H](NC(=O)c2cccc(F)c2)[C@H]1C ZINC000992986976 623835150 /nfs/dbraw/zinc/83/51/50/623835150.db2.gz JDWKJZRFUAIGRU-IUODEOHRSA-N 0 1 276.355 2.594 20 30 CFEDMN C=C(C)CN1CCC[C@@H](NC(=O)c2cccs2)[C@H]1C ZINC000993010006 623839627 /nfs/dbraw/zinc/83/96/27/623839627.db2.gz SSWMODDTJVEATD-CHWSQXEVSA-N 0 1 278.421 2.907 20 30 CFEDMN CC(C)[C@@H]1CC[N@H+]([C@@H](C(=O)[O-])c2cccc(C#N)c2)C1 ZINC000826736050 623861087 /nfs/dbraw/zinc/86/10/87/623861087.db2.gz NMNWFHLSXJBKTG-HUUCEWRRSA-N 0 1 272.348 2.662 20 30 CFEDMN CC(C)[C@H]1CC[N@H+]([C@H](C(=O)[O-])c2cccc(C#N)c2)C1 ZINC000826736049 623861204 /nfs/dbraw/zinc/86/12/04/623861204.db2.gz NMNWFHLSXJBKTG-GJZGRUSLSA-N 0 1 272.348 2.662 20 30 CFEDMN C=CCN1CCC[C@@H](NC(=O)c2ccc(Cl)o2)[C@@H]1C ZINC000993040397 623861440 /nfs/dbraw/zinc/86/14/40/623861440.db2.gz RGRAXLYNQQEXNE-WDEREUQCSA-N 0 1 282.771 2.702 20 30 CFEDMN C=CCOc1ccccc1CN1CCC2=C(CCC(=O)N2)C1 ZINC000826780382 623872254 /nfs/dbraw/zinc/87/22/54/623872254.db2.gz LCTALEVNHQYWDG-UHFFFAOYSA-N 0 1 298.386 2.621 20 30 CFEDMN C=C(C)CC[N@@H+]1CCC[C@@H](NC(=O)c2cncs2)[C@@H]1C ZINC000993076803 623894381 /nfs/dbraw/zinc/89/43/81/623894381.db2.gz GQZSBWDUMRCBDL-QWHCGFSZSA-N 0 1 293.436 2.692 20 30 CFEDMN COC(=O)/C=C\c1ccc(CN2CCC[C@H](CC#N)C2)o1 ZINC000826861291 623896229 /nfs/dbraw/zinc/89/62/29/623896229.db2.gz DLJZJCIKEQDANT-FMFIFOJESA-N 0 1 288.347 2.591 20 30 CFEDMN Cc1nc(CN=Nc2ccc(Cl)nn2)c2ccccn12 ZINC000914601101 623906755 /nfs/dbraw/zinc/90/67/55/623906755.db2.gz IXXQFRSQTOSOOG-UHFFFAOYSA-N 0 1 286.726 2.532 20 30 CFEDMN C[C@H]1OCCN(CCCCC2(C#N)CCC2)[C@@H]1C ZINC000929842238 623917571 /nfs/dbraw/zinc/91/75/71/623917571.db2.gz BKKSYEPFAXTZFG-ZIAGYGMSSA-N 0 1 250.386 2.960 20 30 CFEDMN CC#CC[N@H+]1CCC[C@@H](NC(=O)C=C2CCCCC2)[C@H]1C ZINC000993113059 623918922 /nfs/dbraw/zinc/91/89/22/623918922.db2.gz XVAXVHXQJWKHOP-NVXWUHKLSA-N 0 1 288.435 2.869 20 30 CFEDMN CC#CCN1CCC[C@@H](NC(=O)C=C2CCCCC2)[C@H]1C ZINC000993113059 623918924 /nfs/dbraw/zinc/91/89/24/623918924.db2.gz XVAXVHXQJWKHOP-NVXWUHKLSA-N 0 1 288.435 2.869 20 30 CFEDMN N#CCC1CN(Cc2c(O)ccc(Cl)c2F)C1 ZINC000826991048 623920089 /nfs/dbraw/zinc/92/00/89/623920089.db2.gz SZFDWOBPBAZOHS-UHFFFAOYSA-N 0 1 254.692 2.530 20 30 CFEDMN C#CCN1CCC[C@@H](NC(=O)C2CCCCCC2)[C@@H]1C ZINC000993115983 623922322 /nfs/dbraw/zinc/92/23/22/623922322.db2.gz DJRJWYQZEDJOPI-GOEBONIOSA-N 0 1 276.424 2.559 20 30 CFEDMN C=CCN1CCC[C@H](NC(=O)c2oc(C)cc2C)[C@H]1C ZINC000993145784 623952464 /nfs/dbraw/zinc/95/24/64/623952464.db2.gz JZSKBDSKKXQCLP-KGLIPLIRSA-N 0 1 276.380 2.665 20 30 CFEDMN CCC(=NOC[C@H]1CCOC1)c1ccc(N(C)C)cc1 ZINC000788033022 623958776 /nfs/dbraw/zinc/95/87/76/623958776.db2.gz ZOSGUPWKBXOIID-ZDUSSCGKSA-N 0 1 276.380 2.920 20 30 CFEDMN CC#CCN1CCC[C@@H](NC(=O)CC2=CCCCC2)[C@H]1C ZINC000993164150 623971525 /nfs/dbraw/zinc/97/15/25/623971525.db2.gz YYKVLXDYSGZSOY-NVXWUHKLSA-N 0 1 288.435 2.869 20 30 CFEDMN CCC[C@@H](C(=O)[C@H](C#N)C(=O)NC1CCCC1)C(C)C ZINC000153450481 623978207 /nfs/dbraw/zinc/97/82/07/623978207.db2.gz FSIJPRRDHKTJRB-KGLIPLIRSA-N 0 1 278.396 2.826 20 30 CFEDMN C#Cc1cccc(NC(=O)CN(C)CCCCC=C)c1 ZINC000827434789 624003473 /nfs/dbraw/zinc/00/34/73/624003473.db2.gz MFBYCMBVROOJGZ-UHFFFAOYSA-N 0 1 270.376 2.895 20 30 CFEDMN CC#CCN1CCC[C@H](NC(=O)C(C)=C2CCCC2)[C@H]1C ZINC000993199066 624017422 /nfs/dbraw/zinc/01/74/22/624017422.db2.gz LHIFRZIITFQVIS-WBVHZDCISA-N 0 1 288.435 2.869 20 30 CFEDMN C#C[C@@H](NCc1ccc(F)cc1Cl)C1CCOCC1 ZINC000827564546 624033331 /nfs/dbraw/zinc/03/33/31/624033331.db2.gz CWOUNZIYVYKWPJ-OAHLLOKOSA-N 0 1 281.758 2.997 20 30 CFEDMN C#C[C@H](NCc1cc(Cl)ccc1OC)C1CCOCC1 ZINC000827570218 624035171 /nfs/dbraw/zinc/03/51/71/624035171.db2.gz JKUZGFNFHWNQEA-HNNXBMFYSA-N 0 1 293.794 2.867 20 30 CFEDMN C=C(C)CN1CC[C@H](NC(=O)c2ccc3ncccc3c2)C1 ZINC001015647551 624093702 /nfs/dbraw/zinc/09/37/02/624093702.db2.gz GBYJIYJNPBTDFA-INIZCTEOSA-N 0 1 295.386 2.615 20 30 CFEDMN C=CCN1CCC[C@@H](NC(=O)c2cccnc2C2CC2)[C@@H]1C ZINC000993528861 624150662 /nfs/dbraw/zinc/15/06/62/624150662.db2.gz MUZXKFWWVGQZFX-XJKSGUPXSA-N 0 1 299.418 2.728 20 30 CFEDMN N#C[C@@H]1CNC[C@H]1NC(=O)c1ccc(C2CCCCC2)cc1 ZINC000834511844 625698998 /nfs/dbraw/zinc/69/89/98/625698998.db2.gz OXYKRANNNFMLBJ-IAGOWNOFSA-N 0 1 297.402 2.576 20 30 CFEDMN C=CCN1CCC[C@@H](NC(=O)c2cc(C)cc(F)c2)[C@@H]1C ZINC000993832199 624170951 /nfs/dbraw/zinc/17/09/51/624170951.db2.gz BAURKHTUEWYMFX-XJKSGUPXSA-N 0 1 290.382 2.903 20 30 CFEDMN C=CCN1CCC[C@@H](NC(=O)c2cncc(Cl)c2)[C@@H]1C ZINC000994011731 624177303 /nfs/dbraw/zinc/17/73/03/624177303.db2.gz UODOLEFOAGWUMI-SMDDNHRTSA-N 0 1 293.798 2.504 20 30 CFEDMN NC(=O)c1ccc(C=NNc2nc3ccccc3s2)cc1 ZINC000915933957 624193466 /nfs/dbraw/zinc/19/34/66/624193466.db2.gz NJDWCTNWLAQVQX-UHFFFAOYSA-N 0 1 296.355 2.841 20 30 CFEDMN NC(=O)c1ccc(C=[NH+][N-]c2nc3ccccc3s2)cc1 ZINC000915933957 624193470 /nfs/dbraw/zinc/19/34/70/624193470.db2.gz NJDWCTNWLAQVQX-UHFFFAOYSA-N 0 1 296.355 2.841 20 30 CFEDMN COc1ccc(C=NNc2cc(C)nc(C)n2)cc1F ZINC000915968765 624195840 /nfs/dbraw/zinc/19/58/40/624195840.db2.gz WWYSKVFJQCVOPO-UHFFFAOYSA-N 0 1 274.299 2.687 20 30 CFEDMN CC(=NNCCN1CCCCC1)c1cc(Cl)ccc1O ZINC000915973405 624198747 /nfs/dbraw/zinc/19/87/47/624198747.db2.gz HOAWYOBUGFXSRA-UHFFFAOYSA-N 0 1 295.814 2.845 20 30 CFEDMN C=C[C@H](CC)CC(=O)Nc1nc2ccc(C#N)cc2[nH]1 ZINC000828261466 624216140 /nfs/dbraw/zinc/21/61/40/624216140.db2.gz ODRMSRSWEFHGIR-SNVBAGLBSA-N 0 1 268.320 2.975 20 30 CFEDMN CN(C)c1ccc(C=[NH+]Nc2ccc(C(=O)[O-])cc2)s1 ZINC000916240939 624230123 /nfs/dbraw/zinc/23/01/23/624230123.db2.gz XHWOTRVFZIKRTA-UHFFFAOYSA-N 0 1 289.360 2.958 20 30 CFEDMN C#CCN1CCC[C@@H](NC(=O)[C@H]2CC[C@H](CC)CC2)[C@@H]1C ZINC000994250700 624230815 /nfs/dbraw/zinc/23/08/15/624230815.db2.gz KYPUPDQXKAOTIT-LUKYLMHMSA-N 0 1 290.451 2.805 20 30 CFEDMN C#CCN1CCC[C@@H](NC(=O)[C@H]2CC[C@H](CC)CC2)[C@H]1C ZINC000994250702 624231132 /nfs/dbraw/zinc/23/11/32/624231132.db2.gz KYPUPDQXKAOTIT-QBPKDAKJSA-N 0 1 290.451 2.805 20 30 CFEDMN C#CCOc1ccc(C=NNc2ccccn2)cc1OCC ZINC000916273510 624234551 /nfs/dbraw/zinc/23/45/51/624234551.db2.gz HRPRJQOYYNTLQW-UHFFFAOYSA-N 0 1 295.342 2.938 20 30 CFEDMN CC(C)=CCCC(C)=CC=Nn1c(=O)c(C)n[nH]c1=S ZINC000916304074 624237873 /nfs/dbraw/zinc/23/78/73/624237873.db2.gz YDJIQEBIPZCHLR-PUNNCJRTSA-N 0 1 292.408 2.762 20 30 CFEDMN FC(F)(F)c1n[nH]c(=S)n1N=CC1CCCCC1 ZINC000916305493 624238143 /nfs/dbraw/zinc/23/81/43/624238143.db2.gz SUDIZEWUDZJYGB-UHFFFAOYSA-N 0 1 278.303 3.000 20 30 CFEDMN C#CCN1CCC[C@H](NC(=O)c2cc(C)cc(C)c2)[C@H]1C ZINC000994293872 624275169 /nfs/dbraw/zinc/27/51/69/624275169.db2.gz CLUKXRNEDMWILX-WBVHZDCISA-N 0 1 284.403 2.519 20 30 CFEDMN C#CCN1CCC[C@@H](NC(=O)c2cccc(C)c2C)[C@@H]1C ZINC000994323557 624276235 /nfs/dbraw/zinc/27/62/35/624276235.db2.gz BJCIKGZJJFXKPR-DOTOQJQBSA-N 0 1 284.403 2.519 20 30 CFEDMN C=C(C)[C@H](CO)N1CC=C(c2ccc(Cl)nc2)CC1 ZINC000828620149 624279358 /nfs/dbraw/zinc/27/93/58/624279358.db2.gz OXNDBRPOAZEMIT-AWEZNQCLSA-N 0 1 278.783 2.761 20 30 CFEDMN C=CCN(CC(=O)NCC1CCCCC1)C(C)C ZINC000917070529 624306749 /nfs/dbraw/zinc/30/67/49/624306749.db2.gz DDEBZLVSWIVBAU-UHFFFAOYSA-N 0 1 252.402 2.579 20 30 CFEDMN C=CCN(Cc1cc(C(=O)OC)c(C)o1)C(C)C ZINC000917071385 624308115 /nfs/dbraw/zinc/30/81/15/624308115.db2.gz SJCACQUNTXSZIW-UHFFFAOYSA-N 0 1 251.326 2.771 20 30 CFEDMN C=CCN(CC(=O)N(C)Cc1ccccc1C)C(C)C ZINC000917071567 624308141 /nfs/dbraw/zinc/30/81/41/624308141.db2.gz WLERWJYINXHRFV-UHFFFAOYSA-N 0 1 274.408 2.850 20 30 CFEDMN C#CCN1CCC[C@@H](NC(=O)C2CCC(C)(C)CC2)[C@H]1C ZINC000994484503 624312361 /nfs/dbraw/zinc/31/23/61/624312361.db2.gz IBJCVDGRARGLAF-GDBMZVCRSA-N 0 1 290.451 2.805 20 30 CFEDMN C=CCN(CC(=O)Nc1ccc(OCC)cc1)C(C)C ZINC000917166805 624320203 /nfs/dbraw/zinc/32/02/03/624320203.db2.gz IAWKQTFATJGSBA-UHFFFAOYSA-N 0 1 276.380 2.920 20 30 CFEDMN NC(CN1CCCCCC1)=NOCCCCC(F)(F)F ZINC000154331143 624325520 /nfs/dbraw/zinc/32/55/20/624325520.db2.gz JKLKDOONUYQNKB-UHFFFAOYSA-N 0 1 295.349 2.884 20 30 CFEDMN C#CCN1C[C@@H](c2ccccc2)[C@H](C(=O)OC(C)(C)C)C1 ZINC000829185193 624395031 /nfs/dbraw/zinc/39/50/31/624395031.db2.gz PIVJBSNHPHVBQE-JKSUJKDBSA-N 0 1 285.387 2.677 20 30 CFEDMN C[C@H]1CC(=NC(=O)c2cc3c(ccnc3Cl)s2)NO1 ZINC000867062569 624449118 /nfs/dbraw/zinc/44/91/18/624449118.db2.gz FSPSEXOZMLDLST-LURJTMIESA-N 0 1 295.751 2.802 20 30 CFEDMN O=[N+]([O-])c1ccc(N=NCc2cn3ccccc3n2)cc1 ZINC000918707889 624468763 /nfs/dbraw/zinc/46/87/63/624468763.db2.gz BVMZYYBFGIXRHN-UHFFFAOYSA-N 0 1 281.275 2.689 20 30 CFEDMN C[C@H](O)[C@@H]1CCCN(Cc2cc(Cl)cc(C#N)c2)C1 ZINC000930059822 624526323 /nfs/dbraw/zinc/52/63/23/624526323.db2.gz GOSDIAVCKXBOEM-SMDDNHRTSA-N 0 1 278.783 2.804 20 30 CFEDMN C#CC[C@@H]1CCCN(Cc2cn3c(cccc3C)n2)C1 ZINC000829779242 624534776 /nfs/dbraw/zinc/53/47/76/624534776.db2.gz PFIOEJRQTLHKGV-OAHLLOKOSA-N 0 1 267.376 2.878 20 30 CFEDMN C#CC[C@H]1CCCN([C@@H](C)C(=O)Nc2cccc(F)c2)C1 ZINC000829779335 624534851 /nfs/dbraw/zinc/53/48/51/624534851.db2.gz QSGOBHGUOADKCW-KBPBESRZSA-N 0 1 288.366 2.888 20 30 CFEDMN C#CC[C@@H]1CCCN(Cc2c(F)cccc2[N+](=O)[O-])C1 ZINC000829783682 624536562 /nfs/dbraw/zinc/53/65/62/624536562.db2.gz AJHCHRFSXXDURB-GFCCVEGCSA-N 0 1 276.311 2.969 20 30 CFEDMN C#CC[C@H]1CCCN(Cc2ccc(F)cc2C(=O)OC)C1 ZINC000829784694 624537100 /nfs/dbraw/zinc/53/71/00/624537100.db2.gz LPXUXWSQPKEUEY-ZDUSSCGKSA-N 0 1 289.350 2.848 20 30 CFEDMN N#CC[C@@]1(O)CCN([C@H]2CCc3cc(Cl)ccc32)C1 ZINC000829998030 624597235 /nfs/dbraw/zinc/59/72/35/624597235.db2.gz GOCJNFUVYPFFHE-LSDHHAIUSA-N 0 1 276.767 2.678 20 30 CFEDMN C#CCN1CCC(NC(=O)C(C)(C)CC(C)(C)C)CC1 ZINC000830163338 624652004 /nfs/dbraw/zinc/65/20/04/624652004.db2.gz XDYKXYBHXHQARN-UHFFFAOYSA-N 0 1 278.440 2.663 20 30 CFEDMN CCN(CC(=O)NCCC#N)Cc1ccc2ccccc2c1 ZINC000920088691 624673174 /nfs/dbraw/zinc/67/31/74/624673174.db2.gz HVLXQOCATBGWCF-UHFFFAOYSA-N 0 1 295.386 2.692 20 30 CFEDMN C#CCN(CC)C[C@H](O)c1cccc(C(F)(F)F)c1 ZINC000920094292 624674306 /nfs/dbraw/zinc/67/43/06/624674306.db2.gz COASTCWSNOUZHM-ZDUSSCGKSA-N 0 1 271.282 2.694 20 30 CFEDMN C[N@@H+](Cc1ccc(C#N)cc1)[C@H](C(=O)[O-])c1ccccc1F ZINC000830811193 624882579 /nfs/dbraw/zinc/88/25/79/624882579.db2.gz RRUIZELQFMXKNO-INIZCTEOSA-N 0 1 298.317 2.955 20 30 CFEDMN C#CCCCCC(=O)NC[C@H](c1cccs1)N(C)C ZINC000179640599 624970339 /nfs/dbraw/zinc/97/03/39/624970339.db2.gz JSELCBXLZCGEAK-CYBMUJFWSA-N 0 1 278.421 2.661 20 30 CFEDMN N#Cc1ccc(O)c(NC(=O)c2cc(F)c(F)c(F)c2)c1 ZINC000179732751 624975298 /nfs/dbraw/zinc/97/52/98/624975298.db2.gz ZJDIGAJGDHTGTD-UHFFFAOYSA-N 0 1 292.216 2.933 20 30 CFEDMN CC[C@H](C#N)C(=O)N1CCC[C@H](c2cc(C(C)C)[nH]n2)C1 ZINC000831884001 625166359 /nfs/dbraw/zinc/16/63/59/625166359.db2.gz DKIKYFSWHGMODG-OLZOCXBDSA-N 0 1 288.395 2.789 20 30 CFEDMN CCn1c2ccccc2c2cc(C=NNC(=N)N)ccc21 ZINC000252447586 625198123 /nfs/dbraw/zinc/19/81/23/625198123.db2.gz MMHUTXQDRQZQPN-UHFFFAOYSA-N 0 1 279.347 2.631 20 30 CFEDMN CCCCCCNC(=O)C(C#N)C(=O)C1CCCCC1 ZINC000069910875 625243002 /nfs/dbraw/zinc/24/30/02/625243002.db2.gz DHBVNAVIENXMOS-CQSZACIVSA-N 0 1 278.396 2.972 20 30 CFEDMN C=C(Cl)CN[C@@H]1CN(C(=O)[C@H]2[C@@H]3CCC[C@@H]32)CC1(C)C ZINC000995632864 625746657 /nfs/dbraw/zinc/74/66/57/625746657.db2.gz HWIZBNQSOXBLHK-RQJABVFESA-N 0 1 296.842 2.612 20 30 CFEDMN C=C(Cl)CN[C@H]1CN(C(=O)[C@@H]2CC2(C)C)CC1(C)C ZINC000995682049 625786264 /nfs/dbraw/zinc/78/62/64/625786264.db2.gz UWDVNFAZGSAURT-RYUDHWBXSA-N 0 1 284.831 2.612 20 30 CFEDMN C=C(Cl)CN[C@H]1CN(C(=O)C2(C3CC3)CC2)CC1(C)C ZINC000995934966 625861811 /nfs/dbraw/zinc/86/18/11/625861811.db2.gz OXRBVHAAWSZVHY-ZDUSSCGKSA-N 0 1 296.842 2.756 20 30 CFEDMN C[C@@H]1CC[C@H](C)CC1=NNCCN1CCCCC1 ZINC000834943099 625930171 /nfs/dbraw/zinc/93/01/71/625930171.db2.gz PZDNJAABONHIGS-UONOGXRCSA-N 0 1 251.418 2.874 20 30 CFEDMN Cc1cc([N+](=O)[O-])ccc1N=NC1C[C@H](C)n2ccnc21 ZINC000834979684 625943855 /nfs/dbraw/zinc/94/38/55/625943855.db2.gz LXNBUZDSCHMOLL-JTQLQIEISA-N 0 1 285.307 2.881 20 30 CFEDMN CC1(C)OCC[C@H]1NN=C1CCCNc2ccccc21 ZINC000835015512 625961469 /nfs/dbraw/zinc/96/14/69/625961469.db2.gz FDAJWDSEMXGQEQ-OAHLLOKOSA-N 0 1 273.380 2.754 20 30 CFEDMN CCN(CC)c1ccc(C=NN[C@H](C)CC#N)cc1F ZINC000771887763 625988210 /nfs/dbraw/zinc/98/82/10/625988210.db2.gz WVJNPYWWZSVHMG-GFCCVEGCSA-N 0 1 276.359 2.898 20 30 CFEDMN CCCON=C1CCN(Cc2ccccn2)C[C@H]1C ZINC000842555661 625988555 /nfs/dbraw/zinc/98/85/55/625988555.db2.gz DVTZIHCYTQKYIC-CYBMUJFWSA-N 0 1 261.369 2.706 20 30 CFEDMN C=CCN1CC[C@@H](NC(=O)c2ccc(C(C)(C)C)cc2)C1 ZINC001016070039 626023900 /nfs/dbraw/zinc/02/39/00/626023900.db2.gz VQYNPGOTYAMJJW-MRXNPFEDSA-N 0 1 286.419 2.974 20 30 CFEDMN C=C(Cl)CN[C@H]1CCCN(C(=O)/C=C/c2ccco2)C1 ZINC000998408214 626048289 /nfs/dbraw/zinc/04/82/89/626048289.db2.gz SBUBWDYZWRUDCF-YBJDMEARSA-N 0 1 294.782 2.626 20 30 CFEDMN C=C(Cl)CN[C@H]1CCCN(C(=O)c2ccccc2F)C1 ZINC000998412000 626048904 /nfs/dbraw/zinc/04/89/04/626048904.db2.gz JEGKCYSRZFEWRW-LBPRGKRZSA-N 0 1 296.773 2.772 20 30 CFEDMN O=C(/C=C/c1ccc(F)nc1)c1cc(F)ccc1O ZINC000186418670 626060560 /nfs/dbraw/zinc/06/05/60/626060560.db2.gz MOGXKFWFOYWPCZ-DAFODLJHSA-N 0 1 261.227 2.962 20 30 CFEDMN C=C(Cl)CN[C@H]1CCCN(C(=O)CCC2CCC2)C1 ZINC000998856505 626063012 /nfs/dbraw/zinc/06/30/12/626063012.db2.gz CSGAGQNWQGUCSG-AWEZNQCLSA-N 0 1 284.831 2.900 20 30 CFEDMN C=C(Cl)CN[C@@H]1CCCN(C(=O)C2C=CC=CC=C2)C1 ZINC000999280993 626071001 /nfs/dbraw/zinc/07/10/01/626071001.db2.gz NVLMXIPCSOLCMQ-OAHLLOKOSA-N 0 1 292.810 2.618 20 30 CFEDMN C=C(C)CN1CC[C@H](NC(=O)c2cc(C)c(CC)s2)C1 ZINC001016200027 626113064 /nfs/dbraw/zinc/11/30/64/626113064.db2.gz QLIKRKFGHZMVNK-ZDUSSCGKSA-N 0 1 292.448 2.999 20 30 CFEDMN C=C(Cl)CN[C@@H]1CCCN(C(=O)c2ccc(C)cc2)C1 ZINC001000775350 626131726 /nfs/dbraw/zinc/13/17/26/626131726.db2.gz CWEHVMNVPLISPS-OAHLLOKOSA-N 0 1 292.810 2.942 20 30 CFEDMN C=CCN1CC[C@@H](NC(=O)c2ccc3[nH]c(C)c(C)c3c2)C1 ZINC001016227287 626133633 /nfs/dbraw/zinc/13/36/33/626133633.db2.gz WSWQRNTYTBRTGH-OAHLLOKOSA-N 0 1 297.402 2.775 20 30 CFEDMN C=CC[N@@H+]1CC=C(CNC(=O)c2cccc(C)c2C)CC1 ZINC001001420656 626157546 /nfs/dbraw/zinc/15/75/46/626157546.db2.gz RRNVMVKGUXTMCX-UHFFFAOYSA-N 0 1 284.403 2.851 20 30 CFEDMN CC#CCN1CC=C(CNC(=O)C2CCC=CCC2)CC1 ZINC001001456510 626158242 /nfs/dbraw/zinc/15/82/42/626158242.db2.gz MMDKRVCHDQMQBY-UHFFFAOYSA-N 0 1 286.419 2.504 20 30 CFEDMN N#Cc1cc(CN[C@@]2(CO)CCc3ccccc32)cs1 ZINC000921918195 626177744 /nfs/dbraw/zinc/17/77/44/626177744.db2.gz JOVMBJCOOFGWTL-MRXNPFEDSA-N 0 1 284.384 2.543 20 30 CFEDMN CCCCCCNC(=O)C(C#N)C(=O)[C@@H](C)CCC ZINC000076818388 626182680 /nfs/dbraw/zinc/18/26/80/626182680.db2.gz MFTYISMVYYTHLG-QWHCGFSZSA-N 0 1 266.385 2.828 20 30 CFEDMN C=C(C)CNCc1cc(C#N)ccc1Br ZINC000922111670 626209709 /nfs/dbraw/zinc/20/97/09/626209709.db2.gz AMTOONNDCMRLEJ-UHFFFAOYSA-N 0 1 265.154 2.986 20 30 CFEDMN Cc1cc(CNCc2c(C)cc(C#N)cc2C)n(C)n1 ZINC000922115423 626210646 /nfs/dbraw/zinc/21/06/46/626210646.db2.gz VCAALNAAIUUOIC-UHFFFAOYSA-N 0 1 268.364 2.507 20 30 CFEDMN CN(C)C(=O)C1(NCc2csc(C#N)c2)CCCCC1 ZINC000922155492 626220440 /nfs/dbraw/zinc/22/04/40/626220440.db2.gz ADXYRTUDHYPKCM-UHFFFAOYSA-N 0 1 291.420 2.500 20 30 CFEDMN N#CCc1ccc(CNCc2cnn(C3CCC3)c2)cc1 ZINC000922206710 626239837 /nfs/dbraw/zinc/23/98/37/626239837.db2.gz FDJZTENFMOECGG-UHFFFAOYSA-N 0 1 280.375 2.964 20 30 CFEDMN CC#CCN1CCC(NC(=O)C[C@@H]2CCCC[C@H]2C)CC1 ZINC001004244631 626316789 /nfs/dbraw/zinc/31/67/89/626316789.db2.gz HPFMJQZGYLDUEA-CVEARBPZSA-N 0 1 290.451 2.807 20 30 CFEDMN CC#CCN1CCC(NC(=O)C[C@H]2CCCC[C@@H]2C)CC1 ZINC001004244636 626316859 /nfs/dbraw/zinc/31/68/59/626316859.db2.gz HPFMJQZGYLDUEA-JKSUJKDBSA-N 0 1 290.451 2.807 20 30 CFEDMN CC[C@H](CNCc1ccc(C#N)o1)C(=O)OC(C)(C)C ZINC000922599297 626320203 /nfs/dbraw/zinc/32/02/03/626320203.db2.gz KNLXCYYMUVHRFO-LLVKDONJSA-N 0 1 278.352 2.609 20 30 CFEDMN COCc1ccc(CNCc2ccc(C)c(C#N)c2)o1 ZINC000922759394 626359647 /nfs/dbraw/zinc/35/96/47/626359647.db2.gz QCDYZIWZGDMQRB-UHFFFAOYSA-N 0 1 270.332 2.896 20 30 CFEDMN Cc1ncsc1CNCc1ccc(C)c(C#N)c1 ZINC000922759050 626359812 /nfs/dbraw/zinc/35/98/12/626359812.db2.gz KFAIXQUGXNLFRL-UHFFFAOYSA-N 0 1 257.362 2.921 20 30 CFEDMN Cc1ccc(CNCc2cnc([C@H](C)O)s2)cc1C#N ZINC000922760234 626359862 /nfs/dbraw/zinc/35/98/62/626359862.db2.gz PTRSZXOGAPUCCY-NSHDSACASA-N 0 1 287.388 2.666 20 30 CFEDMN C=CCN(Cc1ccc(OC)cc1)C[C@@H](O)c1ccccn1 ZINC000851733317 634497359 /nfs/dbraw/zinc/49/73/59/634497359.db2.gz RHQNNDGCLYCLBO-GOSISDBHSA-N 0 1 298.386 2.812 20 30 CFEDMN N#CC(C(=O)[C@@H]1COc2ccccc2C1)c1ccccn1 ZINC000073971107 626401356 /nfs/dbraw/zinc/40/13/56/626401356.db2.gz JZRPXLTZXJFVTB-KBPBESRZSA-N 0 1 278.311 2.509 20 30 CFEDMN N#CC(C(=O)[C@H]1COc2ccccc2C1)c1ccccn1 ZINC000073971111 626401415 /nfs/dbraw/zinc/40/14/15/626401415.db2.gz JZRPXLTZXJFVTB-KGLIPLIRSA-N 0 1 278.311 2.509 20 30 CFEDMN CC#CCN1CCC(N(C)C(=O)C2(C3CC3)CCC2)CC1 ZINC001005778612 626420937 /nfs/dbraw/zinc/42/09/37/626420937.db2.gz ZTILYJKXVRNGAF-UHFFFAOYSA-N 0 1 288.435 2.513 20 30 CFEDMN Cn1nc(C2CC2)cc1CNCc1cc(C#N)cs1 ZINC000922948906 626431050 /nfs/dbraw/zinc/43/10/50/626431050.db2.gz ZHXYDJUVBJVSEO-UHFFFAOYSA-N 0 1 272.377 2.520 20 30 CFEDMN C#CCC1(NCc2cn(C(C)C)nn2)CCCCC1 ZINC000922981056 626438898 /nfs/dbraw/zinc/43/88/98/626438898.db2.gz GTBHSAJSJPKNAO-UHFFFAOYSA-N 0 1 260.385 2.675 20 30 CFEDMN N#Cc1cc(CN[C@H]2c3ccccc3CC[C@H]2O)cs1 ZINC000922987009 626439905 /nfs/dbraw/zinc/43/99/05/626439905.db2.gz PCJPOIXKHNBUDG-CVEARBPZSA-N 0 1 284.384 2.758 20 30 CFEDMN C=C(C)CN1CC[C@@H](NC(=O)c2cc(C)c(F)cc2F)C1 ZINC001014889952 626480468 /nfs/dbraw/zinc/48/04/68/626480468.db2.gz QMINYHBODDQSDG-GFCCVEGCSA-N 0 1 294.345 2.653 20 30 CFEDMN CC#CCN1CCC(N(C)C(=O)[C@@H](C)C2CCCC2)CC1 ZINC001006279106 626481950 /nfs/dbraw/zinc/48/19/50/626481950.db2.gz NDFFJYQOHVJXBV-HNNXBMFYSA-N 0 1 290.451 2.759 20 30 CFEDMN N#C[C@H](c1ccccc1)[C@@H]1CCCN1C[C@@H](O)C1CC1 ZINC000838861584 626511630 /nfs/dbraw/zinc/51/16/30/626511630.db2.gz JNLNMGBDSYUFJR-IXDOHACOSA-N 0 1 270.376 2.529 20 30 CFEDMN N#C[C@H](c1ccccc1)[C@H]1CCCN1C[C@@H](O)C1CC1 ZINC000838861582 626511707 /nfs/dbraw/zinc/51/17/07/626511707.db2.gz JNLNMGBDSYUFJR-BRWVUGGUSA-N 0 1 270.376 2.529 20 30 CFEDMN C=C(C)CN(Cc1cnn(C(C)C)c1)C[C@@H](O)C1CC1 ZINC000839004577 626519765 /nfs/dbraw/zinc/51/97/65/626519765.db2.gz BQGWWNFTMYDJPS-MRXNPFEDSA-N 0 1 277.412 2.613 20 30 CFEDMN N#C[C@H]1CCC[C@H](OC(=O)c2cccc(-c3nnc[nH]3)c2)C1 ZINC000839062099 626522450 /nfs/dbraw/zinc/52/24/50/626522450.db2.gz KRJBNKPDEJSSOJ-FZMZJTMJSA-N 0 1 296.330 2.711 20 30 CFEDMN CC(C)(C)N1CC[C@](F)(C(=O)O[C@@H]2CCC[C@@H](C#N)C2)C1 ZINC000839062589 626522519 /nfs/dbraw/zinc/52/25/19/626522519.db2.gz MZTZENMOUIBLLE-XJKCOSOUSA-N 0 1 296.386 2.824 20 30 CFEDMN CCCCCCCCC(=O)N1CCN(C[C@H](C)O)C[C@H]1C ZINC000788157281 626538705 /nfs/dbraw/zinc/53/87/05/626538705.db2.gz UHADNFOINPGHIE-CVEARBPZSA-N 0 1 298.471 2.651 20 30 CFEDMN C#CC(=O)Nc1ccc(-c2nc3ccc(F)cc3[nH]2)cc1 ZINC000754023263 626541691 /nfs/dbraw/zinc/54/16/91/626541691.db2.gz KIRNMFNGJRBMKW-UHFFFAOYSA-N 0 1 279.274 2.941 20 30 CFEDMN CCCCCCCCCC[N@H+]1CCO[C@@H](C(=O)[O-])C1 ZINC000103502281 626547445 /nfs/dbraw/zinc/54/74/45/626547445.db2.gz PMXJATOMQDUMEM-CQSZACIVSA-N 0 1 271.401 2.913 20 30 CFEDMN C=C(Cl)CN[C@H](C)[C@H](Cc1ccccc1)C(=O)OC ZINC000839596229 626547468 /nfs/dbraw/zinc/54/74/68/626547468.db2.gz TVSURKWGVXPEMK-OCCSQVGLSA-N 0 1 281.783 2.749 20 30 CFEDMN Cc1cccnc1NN=Cc1cccc(OCC#N)c1 ZINC000790192980 626549276 /nfs/dbraw/zinc/54/92/76/626549276.db2.gz MKFZJVOOOUMESS-UHFFFAOYSA-N 0 1 266.304 2.738 20 30 CFEDMN Cn1nnc2cc(/C=C\C(=O)c3cc(F)ccc3O)ccc21 ZINC000757468350 626552970 /nfs/dbraw/zinc/55/29/70/626552970.db2.gz QNPZKNFJNDLLRQ-UTCJRWHESA-N 0 1 297.289 2.709 20 30 CFEDMN C#CC[C@H](NC(=O)c1[nH]nc2c1CCCC2)c1ccccc1 ZINC000757616132 626556478 /nfs/dbraw/zinc/55/64/78/626556478.db2.gz ZHWJIXBFBFHYLI-HNNXBMFYSA-N 0 1 293.370 2.783 20 30 CFEDMN C=CCOCC[NH2+][C@H](C)c1cc(Cl)ccc1[O-] ZINC000757638012 626556993 /nfs/dbraw/zinc/55/69/93/626556993.db2.gz KWIKXEGRKKLLIH-SNVBAGLBSA-N 0 1 255.745 2.899 20 30 CFEDMN C#CCCCC(=O)N[C@@H]1CC[N@H+]([C@H](C)c2ccccc2)C1 ZINC000757858644 626565668 /nfs/dbraw/zinc/56/56/68/626565668.db2.gz PMMVIPYIGUIQKM-NVXWUHKLSA-N 0 1 284.403 2.742 20 30 CFEDMN C#CCCCC(=O)N[C@@H]1CC[N@H+]([C@@H](C)c2ccccc2)C1 ZINC000757858643 626565720 /nfs/dbraw/zinc/56/57/20/626565720.db2.gz PMMVIPYIGUIQKM-DOTOQJQBSA-N 0 1 284.403 2.742 20 30 CFEDMN N#Cc1ccc(COC(=O)[C@H]2CCCc3[nH]ncc32)c(F)c1 ZINC000758134774 626578346 /nfs/dbraw/zinc/57/83/46/626578346.db2.gz OISZSCUFWZMCES-LBPRGKRZSA-N 0 1 299.305 2.584 20 30 CFEDMN Cc1ccn(CN2CC[C@H](C)[C@@H]3CCCC[C@@H]32)c(=O)c1C#N ZINC000758205556 626582558 /nfs/dbraw/zinc/58/25/58/626582558.db2.gz MSGIFUGZECEQOC-QRTARXTBSA-N 0 1 299.418 2.887 20 30 CFEDMN Cc1ccn(CN2CCCC[C@@H]2CC(C)C)c(=O)c1C#N ZINC000758235675 626584317 /nfs/dbraw/zinc/58/43/17/626584317.db2.gz JTRTZUVTUMMZBG-OAHLLOKOSA-N 0 1 287.407 2.887 20 30 CFEDMN C[C@@H]1CN(Cc2ccccn2)CCC1=NOCC(F)F ZINC000758899131 626616055 /nfs/dbraw/zinc/61/60/55/626616055.db2.gz FPIZZIHCXOTBSN-LLVKDONJSA-N 0 1 283.322 2.561 20 30 CFEDMN Cc1ccc(F)c(NN=Cc2cn3cccnc3n2)c1 ZINC000759653344 626680375 /nfs/dbraw/zinc/68/03/75/626680375.db2.gz PQGWSQOZYCEDFY-UHFFFAOYSA-N 0 1 269.283 2.623 20 30 CFEDMN Cc1cccc(CNC(=O)C(C#N)C(=O)CC2(C)CC2)c1 ZINC000759684857 626683518 /nfs/dbraw/zinc/68/35/18/626683518.db2.gz IPXSVKONLRUVKQ-AWEZNQCLSA-N 0 1 284.359 2.510 20 30 CFEDMN C#CCCNc1ccccc1CN1C[C@@H](C)O[C@H](C)C1 ZINC000760289435 626730424 /nfs/dbraw/zinc/73/04/24/626730424.db2.gz IGXVQUVTYQSLRX-HUUCEWRRSA-N 0 1 272.392 2.731 20 30 CFEDMN N#CC(C(=O)C[C@@H]1CCc2ccccc2C1)c1ccncn1 ZINC000760336297 626735900 /nfs/dbraw/zinc/73/59/00/626735900.db2.gz XRRWOBPFBWFLQF-CJNGLKHVSA-N 0 1 291.354 2.848 20 30 CFEDMN N#C[C@H](C(=O)Cc1ccc2c(c1)CCCC2)c1ccncn1 ZINC000760340668 626737034 /nfs/dbraw/zinc/73/70/34/626737034.db2.gz NGAMRHFKHKHNBE-INIZCTEOSA-N 0 1 291.354 2.774 20 30 CFEDMN C[C@H]1CC(N=Nc2ncccc2C(F)(F)F)CN1C ZINC000761806027 626859569 /nfs/dbraw/zinc/85/95/69/626859569.db2.gz PMSGOASNOZWVGS-QMMMGPOBSA-N 0 1 272.274 2.592 20 30 CFEDMN C[C@@H]1CC(N=Nc2cccc(C(F)(F)F)n2)CN1C ZINC000761812700 626860602 /nfs/dbraw/zinc/86/06/02/626860602.db2.gz MZHCPNDYCRTDNN-MRVPVSSYSA-N 0 1 272.274 2.592 20 30 CFEDMN Cc1ccc(F)c(C=NNc2ccc(-n3ccnc3)nn2)c1 ZINC000761854851 626864819 /nfs/dbraw/zinc/86/48/19/626864819.db2.gz HXWDXBGJBKIFQJ-UHFFFAOYSA-N 0 1 296.309 2.556 20 30 CFEDMN CC(N=Nc1cnn(C)c1)c1ccc(O)c(Cl)c1 ZINC000761886229 626869851 /nfs/dbraw/zinc/86/98/51/626869851.db2.gz XDCOMSGIGZHXSX-UHFFFAOYSA-N 0 1 264.716 2.615 20 30 CFEDMN CCC(CC)[C@@H](C)C(=O)C(C#N)C(=O)Nc1ccccn1 ZINC000762043145 626883642 /nfs/dbraw/zinc/88/36/42/626883642.db2.gz YUGUXYRUDREQKB-YPMHNXCESA-N 0 1 287.363 2.801 20 30 CFEDMN CCOc1cccc(C=N[N-]c2cc(C)cc[nH+]2)n1 ZINC000763179095 626968610 /nfs/dbraw/zinc/96/86/10/626968610.db2.gz LKPBWEHROWSVFH-UHFFFAOYSA-N 0 1 256.309 2.630 20 30 CFEDMN CCOc1cccc(C=NNc2cc(C)ccn2)n1 ZINC000763179095 626968614 /nfs/dbraw/zinc/96/86/14/626968614.db2.gz LKPBWEHROWSVFH-UHFFFAOYSA-N 0 1 256.309 2.630 20 30 CFEDMN CC(=NNC1=N[C@@H]2CCCC[C@@H]2N1)c1cc(C)ccc1F ZINC000763370785 626983793 /nfs/dbraw/zinc/98/37/93/626983793.db2.gz URSNBJBIQSZESC-GASCZTMLSA-N 0 1 288.370 2.718 20 30 CFEDMN C[C@H]1N(CCCOc2ccc(C#N)cc2)CCOC1(C)C ZINC000763414737 626987328 /nfs/dbraw/zinc/98/73/28/626987328.db2.gz BRLWLVKPZZFTFU-CQSZACIVSA-N 0 1 288.391 2.826 20 30 CFEDMN C#CCN(Cc1ccc2oc(C(=O)OC)cc2c1)C1CC1 ZINC000763956298 627026100 /nfs/dbraw/zinc/02/61/00/627026100.db2.gz ZFKQGWOTMSKETD-UHFFFAOYSA-N 0 1 283.327 2.817 20 30 CFEDMN C#CCN(Cc1c[nH]nc1-c1cccc(C)c1)C1CC1 ZINC000764682717 627083816 /nfs/dbraw/zinc/08/38/16/627083816.db2.gz LHFNITTZZIZDSY-UHFFFAOYSA-N 0 1 265.360 2.983 20 30 CFEDMN Oc1c(F)cc(C=NNCCc2ccccc2F)cc1F ZINC000764724510 627087945 /nfs/dbraw/zinc/08/79/45/627087945.db2.gz WFQJRHNSTDZPLC-UHFFFAOYSA-N 0 1 294.276 2.976 20 30 CFEDMN C[C@H]1CC(=NC(=O)c2cc3c(cccc3F)s2)NO1 ZINC000765375152 627133377 /nfs/dbraw/zinc/13/33/77/627133377.db2.gz GJGFUBQSYFTLFD-ZETCQYMHSA-N 0 1 278.308 2.893 20 30 CFEDMN COC(=O)c1coc(C(C)=NNc2cc(C)ccn2)c1 ZINC000766456240 627204327 /nfs/dbraw/zinc/20/43/27/627204327.db2.gz YOKYDYDYKWIOSG-UHFFFAOYSA-N 0 1 273.292 2.606 20 30 CFEDMN CCN(Cn1cc2c(c(C#N)c1=O)CCC2)[C@@H](C)C(C)C ZINC000766613412 627211577 /nfs/dbraw/zinc/21/15/77/627211577.db2.gz WLMBTRKEWZVYQL-ZDUSSCGKSA-N 0 1 287.407 2.533 20 30 CFEDMN CCN(Cn1cc2c(c(C#N)c1=O)CCC2)[C@H](C)C(C)C ZINC000766613411 627211643 /nfs/dbraw/zinc/21/16/43/627211643.db2.gz WLMBTRKEWZVYQL-CYBMUJFWSA-N 0 1 287.407 2.533 20 30 CFEDMN C=CCN(Cc1cc(-c2cnn(C)c2C)no1)C(C)C ZINC000767297185 627242798 /nfs/dbraw/zinc/24/27/98/627242798.db2.gz SWYIHWGGHFILIV-UHFFFAOYSA-N 0 1 274.368 2.780 20 30 CFEDMN C#CCN(CCC(=O)C1CC1)[C@H]1CCc2ccccc21 ZINC000767362984 627245065 /nfs/dbraw/zinc/24/50/65/627245065.db2.gz FXYZBKAMYKYSKY-KRWDZBQOSA-N 0 1 267.372 2.978 20 30 CFEDMN C#Cc1cccc(NC(=S)N[C@@H](C)Cc2cc(C)[nH]n2)c1 ZINC000767710277 627278447 /nfs/dbraw/zinc/27/84/47/627278447.db2.gz PAKPDIZPJCZJNQ-NSHDSACASA-N 0 1 298.415 2.617 20 30 CFEDMN Cc1ccc(N=NCc2cc(F)c(F)cc2F)nn1 ZINC000767781945 627284862 /nfs/dbraw/zinc/28/48/62/627284862.db2.gz LEBZGVFROVQHFE-UHFFFAOYSA-N 0 1 266.226 2.648 20 30 CFEDMN CC(C)CN(CCC#N)Cc1ccc(-n2cncn2)cc1 ZINC000768155222 627321832 /nfs/dbraw/zinc/32/18/32/627321832.db2.gz WEZAIFHVWYODGT-UHFFFAOYSA-N 0 1 283.379 2.639 20 30 CFEDMN C#CCOc1ccc(CN(C)Cc2ccoc2)cc1 ZINC000769007275 627394527 /nfs/dbraw/zinc/39/45/27/627394527.db2.gz XXCNAQDOAXVPAF-UHFFFAOYSA-N 0 1 255.317 2.924 20 30 CFEDMN C#CCN(CC)Cc1ccc(OC(F)F)c(F)c1 ZINC000769104502 627403047 /nfs/dbraw/zinc/40/30/47/627403047.db2.gz HWWWRQAYUPVSPR-UHFFFAOYSA-N 0 1 257.255 2.882 20 30 CFEDMN C#CC[N@H+](CC)Cc1cccc(Br)c1[O-] ZINC000769110204 627403640 /nfs/dbraw/zinc/40/36/40/627403640.db2.gz AZSJREYUCIMEQC-UHFFFAOYSA-N 0 1 268.154 2.610 20 30 CFEDMN N#Cc1ccc(C2=CCN(CCOC(F)F)CC2)cc1 ZINC000851885635 634571819 /nfs/dbraw/zinc/57/18/19/634571819.db2.gz JZNNOHPFOHTNPS-UHFFFAOYSA-N 0 1 278.302 2.887 20 30 CFEDMN CN(CC(F)F)C1CCN(Cc2cc(C#N)cs2)CC1 ZINC000769511835 627450030 /nfs/dbraw/zinc/45/00/30/627450030.db2.gz WWTHTFWWOKDAID-UHFFFAOYSA-N 0 1 299.390 2.781 20 30 CFEDMN CSC=CC(=O)[C@@H](C#N)c1nc2cccc(C)c2[nH]1 ZINC000771612353 627618189 /nfs/dbraw/zinc/61/81/89/627618189.db2.gz LTHWASVJLWBEPA-JYESYGNLSA-N 0 1 271.345 2.924 20 30 CFEDMN Cc1ccc(N=NCc2cscc2Cl)nn1 ZINC000771884777 627641997 /nfs/dbraw/zinc/64/19/97/627641997.db2.gz QEQCFSYZVYSBSE-UHFFFAOYSA-N 0 1 252.730 2.946 20 30 CFEDMN C#CCN1CCC(C(=O)OCCCc2ccccc2C)CC1 ZINC000772113033 627673663 /nfs/dbraw/zinc/67/36/63/627673663.db2.gz IBBPXMMSSCRFQJ-UHFFFAOYSA-N 0 1 299.414 2.816 20 30 CFEDMN C#CCN1CCC(C(=O)OC[C@H]2CCC[C@@H](C)C2)CC1 ZINC000772116519 627674860 /nfs/dbraw/zinc/67/48/60/627674860.db2.gz RTIUMNDAUQIXPD-CABCVRRESA-N 0 1 277.408 2.701 20 30 CFEDMN C=C(C)CN1C[C@@H](C)N(C(=O)OC(C)(C)C)C[C@H]1C ZINC000772324886 627702126 /nfs/dbraw/zinc/70/21/26/627702126.db2.gz SNUYUPCGFCIEGT-CHWSQXEVSA-N 0 1 268.401 2.892 20 30 CFEDMN Cc1cccc2nc([C@@H](C#N)C(=O)Cc3ccco3)[nH]c21 ZINC000772667303 627733401 /nfs/dbraw/zinc/73/34/01/627733401.db2.gz SBJFNSGWBVCEPC-LBPRGKRZSA-N 0 1 279.299 2.883 20 30 CFEDMN C#CCCCCC(=O)N(C)Cc1cc(C(C)(C)C)[nH]n1 ZINC000772667159 627733455 /nfs/dbraw/zinc/73/34/55/627733455.db2.gz CKPVKVVHTFUHKR-UHFFFAOYSA-N 0 1 275.396 2.859 20 30 CFEDMN C#Cc1cccc(N(C)C(=O)c2cc(O)cc([N+](=O)[O-])c2)c1 ZINC000772835706 627750242 /nfs/dbraw/zinc/75/02/42/627750242.db2.gz QAZILYQBBSSRRR-UHFFFAOYSA-N 0 1 296.282 2.558 20 30 CFEDMN C#CCOCCN[C@@H](C(=C)C)c1ccc(F)c(F)c1 ZINC000851945621 634603441 /nfs/dbraw/zinc/60/34/41/634603441.db2.gz FDSJIAFJYKAKQW-HNNXBMFYSA-N 0 1 265.303 2.821 20 30 CFEDMN CS[C@@H](C)CCC(=O)Nc1cc(C#N)ccc1O ZINC000773523128 627833500 /nfs/dbraw/zinc/83/35/00/627833500.db2.gz LVFQHXPTXPDJFG-VIFPVBQESA-N 0 1 264.350 2.734 20 30 CFEDMN C#CCOCCN(C)[C@@]1(c2ccccc2)CCCCC1=O ZINC000851965689 634609858 /nfs/dbraw/zinc/60/98/58/634609858.db2.gz UDTSXJUGVKYDAR-GOSISDBHSA-N 0 1 285.387 2.607 20 30 CFEDMN C[C@@H](CC(C)(C)C)C(=O)C(C#N)C(=O)NC1CCCC1 ZINC000773983802 627876244 /nfs/dbraw/zinc/87/62/44/627876244.db2.gz OOXSHWRVSZZHDS-AAEUAGOBSA-N 0 1 278.396 2.826 20 30 CFEDMN Cc1cccc2nc([C@H](C#N)C(=O)[C@@H]3CCOC[C@H]3C)[nH]c21 ZINC000774113391 627889516 /nfs/dbraw/zinc/88/95/16/627889516.db2.gz VUSZZYWQPZKNCB-JHJVBQTASA-N 0 1 297.358 2.720 20 30 CFEDMN C=CCCC(C)(C)OC(=O)CCCCc1cn[nH]n1 ZINC000774211366 627903880 /nfs/dbraw/zinc/90/38/80/627903880.db2.gz VZYJLKXGWNGJTC-UHFFFAOYSA-N 0 1 265.357 2.806 20 30 CFEDMN C=C[C@@](C)(CC)COC(=O)CCCCc1cn[nH]n1 ZINC000774258293 627909307 /nfs/dbraw/zinc/90/93/07/627909307.db2.gz MUMUFZWUBTUKMV-AWEZNQCLSA-N 0 1 265.357 2.663 20 30 CFEDMN CCCc1cccc(C=NNC2=N[C@H]3CCCC[C@@H]3N2)c1 ZINC000774396143 627921169 /nfs/dbraw/zinc/92/11/69/627921169.db2.gz ZANNTLIBIXIQIQ-HOTGVXAUSA-N 0 1 284.407 2.833 20 30 CFEDMN CCOCCON=C1CN(Cc2ccccc2)C[C@H]1C ZINC000774435547 627925742 /nfs/dbraw/zinc/92/57/42/627925742.db2.gz PNIIPTSUHRUKIM-CQSZACIVSA-N 0 1 276.380 2.547 20 30 CFEDMN Fc1cc(C=NOC2CCCC2)ccc1N1CCOCC1 ZINC000774608474 627941570 /nfs/dbraw/zinc/94/15/70/627941570.db2.gz NTNKAJDEVJTBDZ-UHFFFAOYSA-N 0 1 292.354 2.955 20 30 CFEDMN C#C[C@@H](NCc1ccc(OCCC)cc1)[C@@H]1CCCO1 ZINC000775339969 628011626 /nfs/dbraw/zinc/01/16/26/628011626.db2.gz DZJWFJUTGAMWCR-SJORKVTESA-N 0 1 273.376 2.746 20 30 CFEDMN C#C[C@H](NCc1ccc2ncccc2c1)[C@@H]1CCCO1 ZINC000775340219 628011728 /nfs/dbraw/zinc/01/17/28/628011728.db2.gz GBRBDIDTBOTVSC-RDJZCZTQSA-N 0 1 266.344 2.505 20 30 CFEDMN C#C[C@H](NCc1cccc(OCC(C)C)c1)[C@H]1CCCO1 ZINC000775342663 628012640 /nfs/dbraw/zinc/01/26/40/628012640.db2.gz SDZDGLMCCANSIS-ZWKOTPCHSA-N 0 1 287.403 2.992 20 30 CFEDMN C#C[C@@H](NCc1cccc(OC(F)F)c1)[C@@H]1CCCO1 ZINC000775343726 628013652 /nfs/dbraw/zinc/01/36/52/628013652.db2.gz XNJUNHJXBOZWKS-KGLIPLIRSA-N 0 1 281.302 2.558 20 30 CFEDMN C#C[C@H](NCc1ccc(SC)c(OC)c1)[C@@H]1CCCO1 ZINC000775347488 628013978 /nfs/dbraw/zinc/01/39/78/628013978.db2.gz GZFCMJKMKKFJRH-KBPBESRZSA-N 0 1 291.416 2.688 20 30 CFEDMN C#CC[C@@H](NCc1ccnc(OC)c1)c1ccccc1 ZINC000775400479 628020590 /nfs/dbraw/zinc/02/05/90/628020590.db2.gz JYZTWTVLXBNFGF-MRXNPFEDSA-N 0 1 266.344 2.944 20 30 CFEDMN C#CC[C@H](NCC(=O)NCc1ccccc1)c1ccccc1 ZINC000775400428 628020679 /nfs/dbraw/zinc/02/06/79/628020679.db2.gz OYQYICUBCBAFCL-SFHVURJKSA-N 0 1 292.382 2.657 20 30 CFEDMN C#CC[C@@H](NCC(=O)NC(C)(C)CC)c1ccccc1 ZINC000775400322 628020996 /nfs/dbraw/zinc/02/09/96/628020996.db2.gz YWWYDFKZKDLNCO-OAHLLOKOSA-N 0 1 272.392 2.645 20 30 CFEDMN C#C[C@H](N[C@H](C)c1ccccc1OC)[C@@H]1CCCO1 ZINC000775571727 628040123 /nfs/dbraw/zinc/04/01/23/628040123.db2.gz KEDHNFRRRYBHFC-INWMFGNUSA-N 0 1 259.349 2.527 20 30 CFEDMN C#C[C@H](N[C@H](C)c1ccc(C)c([N+](=O)[O-])c1)[C@@H]1CCCO1 ZINC000775575795 628042286 /nfs/dbraw/zinc/04/22/86/628042286.db2.gz YTOPCLJAFOKSRD-INWMFGNUSA-N 0 1 288.347 2.735 20 30 CFEDMN C#C[C@H](N[C@H](C)c1cccc(OC)c1)[C@H]1CCCO1 ZINC000775574566 628042320 /nfs/dbraw/zinc/04/23/20/628042320.db2.gz QZJAEWOBVDILFT-UHOFOFEASA-N 0 1 259.349 2.527 20 30 CFEDMN C#C[C@H](N[C@H](C)c1cccc([N+](=O)[O-])c1C)[C@@H]1CCCO1 ZINC000775574876 628042502 /nfs/dbraw/zinc/04/25/02/628042502.db2.gz SXJDQZSTLNSGFN-INWMFGNUSA-N 0 1 288.347 2.735 20 30 CFEDMN C#C[C@H](N[C@@H](C)c1cc(C)ccc1OC)[C@@H]1CCCO1 ZINC000775575426 628042535 /nfs/dbraw/zinc/04/25/35/628042535.db2.gz XDKIQOTUDHIWEO-QRTARXTBSA-N 0 1 273.376 2.835 20 30 CFEDMN C=C(C)CCN1CCO[C@H]([C@H](C)NC(=O)OC(C)(C)C)C1 ZINC000775615605 628046415 /nfs/dbraw/zinc/04/64/15/628046415.db2.gz QBMDWOGBXRGZIM-KBPBESRZSA-N 0 1 298.427 2.567 20 30 CFEDMN COc1ccc(O)c(CN(CCC#N)CC(C)C)c1 ZINC000775642221 628048698 /nfs/dbraw/zinc/04/86/98/628048698.db2.gz CMKKLHWQZHJCED-UHFFFAOYSA-N 0 1 262.353 2.772 20 30 CFEDMN C#CCOCCN1CC[C@@](F)(c2ccccc2C)C1 ZINC000852014042 634626824 /nfs/dbraw/zinc/62/68/24/634626824.db2.gz AQZCDTNREWKWRN-INIZCTEOSA-N 0 1 261.340 2.515 20 30 CFEDMN C#CC[C@@H](NCc1ccc(OC)cn1)c1ccccc1 ZINC000776008327 628093893 /nfs/dbraw/zinc/09/38/93/628093893.db2.gz QKSVFWJCANTARH-QGZVFWFLSA-N 0 1 266.344 2.944 20 30 CFEDMN CCc1cc(CN[C@@H](C)c2cccc(C#N)c2)[nH]n1 ZINC000776159650 628108112 /nfs/dbraw/zinc/10/81/12/628108112.db2.gz YTZZMIIZRDMVSE-NSHDSACASA-N 0 1 254.337 2.695 20 30 CFEDMN COc1ccc(O)c(CNCc2cc(C#N)ccc2F)c1 ZINC000776220158 628118687 /nfs/dbraw/zinc/11/86/87/628118687.db2.gz KXUDTMMESTYUQL-UHFFFAOYSA-N 0 1 286.306 2.701 20 30 CFEDMN CC(C)[C@@H](C(=O)OCCC(C)(C)C#N)N1CCCC1 ZINC000776385900 628140952 /nfs/dbraw/zinc/14/09/52/628140952.db2.gz IDKGCRWRCBGZLQ-ZDUSSCGKSA-N 0 1 266.385 2.590 20 30 CFEDMN C[C@@H]1CC[C@@H](C(=O)C(C#N)C(=O)NC2CCCCC2)C1 ZINC000776514593 628155012 /nfs/dbraw/zinc/15/50/12/628155012.db2.gz FIZXZOHDTRPKLS-YRGRVCCFSA-N 0 1 276.380 2.580 20 30 CFEDMN C#CCCN1CCN(Cc2cccc(F)c2Cl)CC1 ZINC000776593640 628162969 /nfs/dbraw/zinc/16/29/69/628162969.db2.gz MGKPFQUFFBMRCE-UHFFFAOYSA-N 0 1 280.774 2.620 20 30 CFEDMN C#CCCN1CCN(Cc2cccc(OC(C)C)c2)CC1 ZINC000776594531 628163305 /nfs/dbraw/zinc/16/33/05/628163305.db2.gz LNWYZANJBRUXEJ-UHFFFAOYSA-N 0 1 286.419 2.615 20 30 CFEDMN Cc1c(C#N)cccc1NC(=O)Cc1n[nH]c2c1CCCC2 ZINC000777194511 628207160 /nfs/dbraw/zinc/20/71/60/628207160.db2.gz AXQQIFUHKATKSE-UHFFFAOYSA-N 0 1 294.358 2.650 20 30 CFEDMN N#CCc1ccccc1CC(=O)Nc1ccc2nc[nH]c2c1 ZINC000777373406 628218352 /nfs/dbraw/zinc/21/83/52/628218352.db2.gz SPIPCQXJIRZDNC-UHFFFAOYSA-N 0 1 290.326 2.810 20 30 CFEDMN O=[N+]([O-])c1ccccc1N=NCc1ccc(F)nc1 ZINC000777419237 628224061 /nfs/dbraw/zinc/22/40/61/628224061.db2.gz XGSMMXUMAZLMKB-UHFFFAOYSA-N 0 1 260.228 2.575 20 30 CFEDMN CC(C)(C#N)CC[N@H+]1CC[C@](O)(c2ccc(F)cc2)C1 ZINC000777737083 628250200 /nfs/dbraw/zinc/25/02/00/628250200.db2.gz JGQWDNRTSRPRPL-MRXNPFEDSA-N 0 1 276.355 2.659 20 30 CFEDMN C=CCC[C@@H](C(=O)NOC1CCOCC1)c1ccccc1 ZINC000777820869 628254537 /nfs/dbraw/zinc/25/45/37/628254537.db2.gz NKIUIJOHEMCECT-MRXNPFEDSA-N 0 1 289.375 2.963 20 30 CFEDMN COC[C@H](C)NN=C(C)c1[nH]c(-c2ccccc2)nc1C ZINC000777893858 628262377 /nfs/dbraw/zinc/26/23/77/628262377.db2.gz WDMHFTZFNGQURD-NSHDSACASA-N 0 1 286.379 2.734 20 30 CFEDMN C#CCOc1cccc(Cl)c1CNCCOCC1CC1 ZINC000778167745 628282264 /nfs/dbraw/zinc/28/22/64/628282264.db2.gz PCXBCECPTWAOGK-UHFFFAOYSA-N 0 1 293.794 2.868 20 30 CFEDMN C#CCOc1cccc(Cl)c1CNCCSCC#C ZINC000778168681 628282943 /nfs/dbraw/zinc/28/29/43/628282943.db2.gz FZRYBKFADRZOCP-UHFFFAOYSA-N 0 1 293.819 2.808 20 30 CFEDMN C#CCOc1cccc(Cl)c1CNC[C@H](O)CCC ZINC000778170781 628283170 /nfs/dbraw/zinc/28/31/70/628283170.db2.gz YCVSOQOGPJEDTL-GFCCVEGCSA-N 0 1 281.783 2.603 20 30 CFEDMN C#CCOc1cccc(Cl)c1CN[C@H]1C[C@@H](O)C1(C)C ZINC000778192575 628285324 /nfs/dbraw/zinc/28/53/24/628285324.db2.gz BQYBBUPCWWDSCW-LSDHHAIUSA-N 0 1 293.794 2.601 20 30 CFEDMN CC[C@@H](C)n1nc(C(=O)Nc2cc(C#N)ccc2O)cc1C ZINC000778398078 628304346 /nfs/dbraw/zinc/30/43/46/628304346.db2.gz KCDJTZXZPMEOCF-SNVBAGLBSA-N 0 1 298.346 2.992 20 30 CFEDMN CC(=NNc1cc(Cl)nc(N)n1)c1cccc(F)c1F ZINC000778545003 628314333 /nfs/dbraw/zinc/31/43/33/628314333.db2.gz KTTNQEUDPKSYBQ-UHFFFAOYSA-N 0 1 297.696 2.827 20 30 CFEDMN C=CC[C@H](C(=O)NOC1CCOCC1)c1ccccc1 ZINC000779100737 628352532 /nfs/dbraw/zinc/35/25/32/628352532.db2.gz KFWUHTNIXTXMES-HNNXBMFYSA-N 0 1 275.348 2.573 20 30 CFEDMN CCC(CC)CN[C@@H]1CN(C(=O)OC(C)(C)C)C[C@@H]1C#N ZINC000779341356 628375533 /nfs/dbraw/zinc/37/55/33/628375533.db2.gz PMKVWJPIVCWIDZ-UONOGXRCSA-N 0 1 295.427 2.771 20 30 CFEDMN CCc1ccc(NC(=O)C(C#N)C(=O)c2ocnc2C)cc1 ZINC000779455997 628383555 /nfs/dbraw/zinc/38/35/55/628383555.db2.gz BBJFPNIVIMNHLV-CYBMUJFWSA-N 0 1 297.314 2.507 20 30 CFEDMN C#C[C@](C)(CC)NCC(=O)N1CCSc2ccccc21 ZINC000852097971 634651951 /nfs/dbraw/zinc/65/19/51/634651951.db2.gz BHPHIKRJRMZUOA-MRXNPFEDSA-N 0 1 288.416 2.517 20 30 CFEDMN C#C[C@](C)(CC)N[C@H](C)C(=O)Nc1cc(C)ccc1OC ZINC000852101990 634657005 /nfs/dbraw/zinc/65/70/05/634657005.db2.gz VHTVFUAXFWTSGR-CXAGYDPISA-N 0 1 288.391 2.722 20 30 CFEDMN C#C[C@@](C)(CC)N[C@@H](C)C(=O)Nc1cccc(C)c1 ZINC000852098786 634652831 /nfs/dbraw/zinc/65/28/31/634652831.db2.gz VYNCBLGWOXKTJM-BBRMVZONSA-N 0 1 258.365 2.714 20 30 CFEDMN C#C[C@@](C)(CC)NCC(=O)Nc1ccc2c(c1)CCC2 ZINC000852099296 634653174 /nfs/dbraw/zinc/65/31/74/634653174.db2.gz JKGKZZZMUICIMX-KRWDZBQOSA-N 0 1 270.376 2.505 20 30 CFEDMN Cc1ccc2c(c1)C(N=Nc1ccncc1)CCC2 ZINC000779809628 628409263 /nfs/dbraw/zinc/40/92/63/628409263.db2.gz ZZSWNCYALHHVFU-UHFFFAOYSA-N 0 1 251.333 2.964 20 30 CFEDMN C#C[C@](C)(CC)NCC(=O)Nc1cccc(Cl)c1C ZINC000852099716 634654536 /nfs/dbraw/zinc/65/45/36/634654536.db2.gz PCSJRXYZMOFIGH-OAHLLOKOSA-N 0 1 278.783 2.978 20 30 CFEDMN C#C[C@](C)(CC)N[C@@H](C)C(=O)Nc1ccccc1OCC ZINC000852100301 634654615 /nfs/dbraw/zinc/65/46/15/634654615.db2.gz VURFCTBQRGGLOB-SUMWQHHRSA-N 0 1 288.391 2.804 20 30 CFEDMN COc1ccc(N=NC(C)c2ccc(C#N)s2)nc1 ZINC000780267126 628448417 /nfs/dbraw/zinc/44/84/17/628448417.db2.gz FXJAATUDUSWFRK-UHFFFAOYSA-N 0 1 272.333 2.859 20 30 CFEDMN CCc1cccnc1C(C)=NNc1ccc(OC)cn1 ZINC000780275601 628449709 /nfs/dbraw/zinc/44/97/09/628449709.db2.gz AXSHJZFITPFLGZ-UHFFFAOYSA-N 0 1 270.336 2.884 20 30 CFEDMN C#C[C@@](C)(CC)NCC(=O)Nc1sc(C)c(C)c1C#N ZINC000852102086 634656490 /nfs/dbraw/zinc/65/64/90/634656490.db2.gz VNLMSMAXVSZDIE-HNNXBMFYSA-N 0 1 289.404 2.567 20 30 CFEDMN C#C[C@](C)(CC)NCc1cc(C(=O)OC)sc1C ZINC000852102643 634656869 /nfs/dbraw/zinc/65/68/69/634656869.db2.gz MPIMJUDFQDDMJE-CQSZACIVSA-N 0 1 265.378 2.735 20 30 CFEDMN C#C[C@@](C)(CC)NCc1cncc(C(F)(F)F)c1 ZINC000852103328 634657379 /nfs/dbraw/zinc/65/73/79/634657379.db2.gz DOTQKQFTVDSXNE-LBPRGKRZSA-N 0 1 256.271 2.992 20 30 CFEDMN C#C[C@](C)(CC)N[C@H]1CCN(c2cccc(Cl)c2)C1=O ZINC000852103185 634657966 /nfs/dbraw/zinc/65/79/66/634657966.db2.gz ZTNAZKPLJDLATL-GOEBONIOSA-N 0 1 290.794 2.837 20 30 CFEDMN N#Cc1ccc(CNCc2cccc3cc[nH]c32)nc1 ZINC000780558139 628476574 /nfs/dbraw/zinc/47/65/74/628476574.db2.gz KOQODKZWIHGZJL-UHFFFAOYSA-N 0 1 262.316 2.724 20 30 CFEDMN COc1ccccc1/C=C/CNCc1ccc(C#N)cn1 ZINC000780558732 628476706 /nfs/dbraw/zinc/47/67/06/628476706.db2.gz SPYBVKJKZAAGPV-GQCTYLIASA-N 0 1 279.343 2.765 20 30 CFEDMN C[C@@H]1CCCC(=NNCCN2CCCCC2)[C@@H]1C ZINC000781121629 628523136 /nfs/dbraw/zinc/52/31/36/628523136.db2.gz BAEUPMLKZAMABK-ZIAGYGMSSA-N 0 1 251.418 2.874 20 30 CFEDMN CC(N=Nc1ccnc(F)c1)c1nc2ccccc2n1C ZINC000781134110 628525348 /nfs/dbraw/zinc/52/53/48/628525348.db2.gz RKFAUPAATJENSC-UHFFFAOYSA-N 0 1 283.310 2.944 20 30 CFEDMN CC1(C)CC[C@H](C(=O)C(C#N)C(=O)NCc2ccccc2)C1 ZINC000781763293 628579096 /nfs/dbraw/zinc/57/90/96/628579096.db2.gz WGQZZQGGDWMULO-GJZGRUSLSA-N 0 1 298.386 2.838 20 30 CFEDMN CC1(C)CC[C@H](C(=O)C(C#N)C(=O)NC2CCCC2)C1 ZINC000781768272 628579356 /nfs/dbraw/zinc/57/93/56/628579356.db2.gz DLINLJHBKJNTDI-AAEUAGOBSA-N 0 1 276.380 2.580 20 30 CFEDMN C#CC[N@H+](CC)Cc1cc(C)cc(Br)c1[O-] ZINC000781903367 628590226 /nfs/dbraw/zinc/59/02/26/628590226.db2.gz ZWZVHNLKXSWHES-UHFFFAOYSA-N 0 1 282.181 2.918 20 30 CFEDMN CCCCC[C@H](C)NC(=O)CN1CCC(CC#N)CC1 ZINC000782088969 628603653 /nfs/dbraw/zinc/60/36/53/628603653.db2.gz QBTLETYRDPMJLZ-AWEZNQCLSA-N 0 1 279.428 2.697 20 30 CFEDMN COc1cccc(N=NCc2ccc([N+](=O)[O-])s2)n1 ZINC000782228551 628617310 /nfs/dbraw/zinc/61/73/10/628617310.db2.gz ZRTSLURAZMFUHS-UHFFFAOYSA-N 0 1 278.293 2.506 20 30 CFEDMN Cc1ccc(NN=Cc2cnc(-c3ccco3)s2)nn1 ZINC000782229345 628617361 /nfs/dbraw/zinc/61/73/61/628617361.db2.gz CYBJUXQGGQGOPX-UHFFFAOYSA-N 0 1 285.332 2.948 20 30 CFEDMN CN(C)c1ncc(C=NN[C@H]2CCCC2(C)C)s1 ZINC000782303683 628626289 /nfs/dbraw/zinc/62/62/89/628626289.db2.gz YDYQFQXRSNFFPI-NSHDSACASA-N 0 1 266.414 2.711 20 30 CFEDMN CC1(C)CCC[C@H]1NN=Cc1cc(-c2cccnc2)[nH]n1 ZINC000782301612 628626436 /nfs/dbraw/zinc/62/64/36/628626436.db2.gz QHRJUIBUUUEJGB-OAHLLOKOSA-N 0 1 283.379 2.974 20 30 CFEDMN C[C@@H](NCc1ccc(C#N)cn1)c1ccc(OCC#N)cc1 ZINC000783300089 628699031 /nfs/dbraw/zinc/69/90/31/628699031.db2.gz IDPBIVGOSWBQLA-CYBMUJFWSA-N 0 1 292.342 2.706 20 30 CFEDMN C#CC[C@H](OC(=O)[C@@]1(F)CCN(C(C)(C)C)C1)C(C)C ZINC000810605313 628707196 /nfs/dbraw/zinc/70/71/96/628707196.db2.gz HCQDNEJGALZQJF-XJKSGUPXSA-N 0 1 283.387 2.790 20 30 CFEDMN C[C@H](C#N)Oc1ccc(CN2C[C@H](C)O[C@H](C)[C@H]2C)cc1 ZINC000783738935 628740203 /nfs/dbraw/zinc/74/02/03/628740203.db2.gz ZKTQYRQFPYNMFV-LXTVHRRPSA-N 0 1 288.391 2.975 20 30 CFEDMN O=C1CCC(=NNc2ccc(F)cn2)c2ccccc2N1 ZINC000783843189 628748813 /nfs/dbraw/zinc/74/88/13/628748813.db2.gz VIAZEIMARWMOKJ-UHFFFAOYSA-N 0 1 284.294 2.769 20 30 CFEDMN Cc1nn(-c2ccncc2)cc1C=NNc1ccc(C)cn1 ZINC000783840272 628749152 /nfs/dbraw/zinc/74/91/52/628749152.db2.gz ZIILZKZTHVZYCZ-UHFFFAOYSA-N 0 1 292.346 2.725 20 30 CFEDMN Cc1nn(-c2ccncc2)cc1C=NNc1ccc(F)cn1 ZINC000783842985 628749157 /nfs/dbraw/zinc/74/91/57/628749157.db2.gz REUWUZMFPUKCNK-UHFFFAOYSA-N 0 1 296.309 2.556 20 30 CFEDMN Cc1cc(C=NNc2cnc3ccccc3n2)sn1 ZINC000785454942 628884250 /nfs/dbraw/zinc/88/42/50/628884250.db2.gz YXEGKNYPDPALQS-UHFFFAOYSA-N 0 1 269.333 2.841 20 30 CFEDMN N#Cc1ccc(CNC[C@H](O)c2cc(F)cc(Cl)c2)o1 ZINC000785609229 628898420 /nfs/dbraw/zinc/89/84/20/628898420.db2.gz IVSJOQNMWYWSKF-AWEZNQCLSA-N 0 1 294.713 2.767 20 30 CFEDMN C#CCOc1cccc(Cl)c1CN(C)CC1CC(O)C1 ZINC000785985976 628928748 /nfs/dbraw/zinc/92/87/48/628928748.db2.gz YWAKBOANMMXJGM-UHFFFAOYSA-N 0 1 293.794 2.555 20 30 CFEDMN Cc1cccc2nc([C@@H](C#N)C(=O)[C@H]3CCCOCC3)[nH]c21 ZINC000786422040 628955410 /nfs/dbraw/zinc/95/54/10/628955410.db2.gz JMJLCOOKTRINRA-STQMWFEESA-N 0 1 297.358 2.864 20 30 CFEDMN C#CCCN1CCN(Cc2cccc(Cl)c2F)CC1 ZINC000786430608 628956036 /nfs/dbraw/zinc/95/60/36/628956036.db2.gz YXZGBJTZQFJPAV-UHFFFAOYSA-N 0 1 280.774 2.620 20 30 CFEDMN O=C(OCC#Cc1ccccc1)[C@@H]1CCCN1C1CCCC1 ZINC000786884901 628983151 /nfs/dbraw/zinc/98/31/51/628983151.db2.gz XYDKLFVQCFRHJC-SFHVURJKSA-N 0 1 297.398 2.988 20 30 CFEDMN C=C[C@H]1CCCC[N@H+]1Cc1ccc([N+](=O)[O-])c(OC)c1[O-] ZINC000787311227 629005936 /nfs/dbraw/zinc/00/59/36/629005936.db2.gz UIPBAZWUFYPRLG-LBPRGKRZSA-N 0 1 292.335 2.850 20 30 CFEDMN C=C[C@H]1CCCC[N@@H+]1Cc1ccc([N+](=O)[O-])c(OC)c1[O-] ZINC000787311227 629005939 /nfs/dbraw/zinc/00/59/39/629005939.db2.gz UIPBAZWUFYPRLG-LBPRGKRZSA-N 0 1 292.335 2.850 20 30 CFEDMN C#CCC1(C(=O)N2C[C@H](C)N(CC)C[C@@H]2C)CCCCC1 ZINC000788453797 629069321 /nfs/dbraw/zinc/06/93/21/629069321.db2.gz FFNRVDBRIWUGNI-HOTGVXAUSA-N 0 1 290.451 2.901 20 30 CFEDMN C#CCC1(C(=O)N2C[C@H](C)N(CC)C[C@H]2C)CCCCC1 ZINC000788453801 629069358 /nfs/dbraw/zinc/06/93/58/629069358.db2.gz FFNRVDBRIWUGNI-JKSUJKDBSA-N 0 1 290.451 2.901 20 30 CFEDMN OC[C@@H](NN=C1CCCNc2ccccc21)c1ccccc1 ZINC000788459293 629070676 /nfs/dbraw/zinc/07/06/76/629070676.db2.gz FQNXHDQLMMYAPO-GOSISDBHSA-N 0 1 295.386 2.920 20 30 CFEDMN NC(=O)c1ccccc1CN=Nc1cc(F)c(F)cc1F ZINC000788715195 629094288 /nfs/dbraw/zinc/09/42/88/629094288.db2.gz BMYWWAYLDHIZLE-UHFFFAOYSA-N 0 1 293.248 2.649 20 30 CFEDMN CCC(N=Nc1ccc([N+](=O)[O-])cc1)c1cn[nH]c1 ZINC000788928538 629109661 /nfs/dbraw/zinc/10/96/61/629109661.db2.gz KXXWJIPCFMDTON-UHFFFAOYSA-N 0 1 259.269 2.544 20 30 CFEDMN N=C(N)NN=Cc1ccc(-c2ccc(Cl)cc2)cc1 ZINC000788992399 629115225 /nfs/dbraw/zinc/11/52/25/629115225.db2.gz YYQIBBYRIFODLO-UHFFFAOYSA-N 0 1 272.739 2.824 20 30 CFEDMN CC(=NNc1cccc(F)c1F)c1cc(C)nn1C ZINC000789021374 629117803 /nfs/dbraw/zinc/11/78/03/629117803.db2.gz WYSVDMSCBMRGQF-UHFFFAOYSA-N 0 1 264.279 2.843 20 30 CFEDMN CC(=NNc1cc(Cl)ccn1)c1coc(C)n1 ZINC000789037189 629119545 /nfs/dbraw/zinc/11/95/45/629119545.db2.gz NGEUMFYGKXBQSJ-UHFFFAOYSA-N 0 1 250.689 2.868 20 30 CFEDMN C(=NNCCc1ccccn1)c1cc(-c2ccccc2)[nH]n1 ZINC000789102481 629126676 /nfs/dbraw/zinc/12/66/76/629126676.db2.gz CSZXDTDSXHOEQD-UHFFFAOYSA-N 0 1 291.358 2.638 20 30 CFEDMN Oc1c(Cl)cccc1C=NNCCc1ccccn1 ZINC000789124549 629128278 /nfs/dbraw/zinc/12/82/78/629128278.db2.gz IBGQNCOJXYWCDH-UHFFFAOYSA-N 0 1 275.739 2.607 20 30 CFEDMN N#Cc1ccccc1-c1ccccc1C(=O)Nc1c[nH]nn1 ZINC000789928502 629197981 /nfs/dbraw/zinc/19/79/81/629197981.db2.gz NYEKPWWMNAELGK-UHFFFAOYSA-N 0 1 289.298 2.596 20 30 CFEDMN CCN(C)c1ccc(C=[NH+]Nc2ccc(C(=O)[O-])cc2)cn1 ZINC000790136616 629213015 /nfs/dbraw/zinc/21/30/15/629213015.db2.gz OICKGDFFZQWBQG-UHFFFAOYSA-N 0 1 298.346 2.682 20 30 CFEDMN CCN1c2ccc(C)cc2C(=NNc2ncccc2C)C1=O ZINC000790185105 629216847 /nfs/dbraw/zinc/21/68/47/629216847.db2.gz BVPWOCDAFUJGRW-UHFFFAOYSA-N 0 1 294.358 2.881 20 30 CFEDMN C=CCN1c2ccccc2C(=NNc2ncccc2C)C1=O ZINC000790185211 629217024 /nfs/dbraw/zinc/21/70/24/629217024.db2.gz DPDJRWZBZHMQIQ-UHFFFAOYSA-N 0 1 292.342 2.739 20 30 CFEDMN CC[C@H](C)NN=C(C)c1ccc(N2CCOCC2)c(F)c1 ZINC000790188781 629217582 /nfs/dbraw/zinc/21/75/82/629217582.db2.gz LETJIQYRPQDLQI-LBPRGKRZSA-N 0 1 293.386 2.774 20 30 CFEDMN CC[C@H](C)NN=C1CCN(Cc2ccccn2)C[C@H]1C ZINC000790190879 629218237 /nfs/dbraw/zinc/21/82/37/629218237.db2.gz RVEWXIREVDHXLT-KGLIPLIRSA-N 0 1 274.412 2.668 20 30 CFEDMN Cc1cc(CN=Nc2nccn2C)ccc1Br ZINC000790299673 629227707 /nfs/dbraw/zinc/22/77/07/629227707.db2.gz GXMOCVNNPBSZPA-UHFFFAOYSA-N 0 1 293.168 2.937 20 30 CFEDMN Cn1cc[nH+]c1[N-]N=Cc1ccc(F)c2cccnc12 ZINC000790301535 629228316 /nfs/dbraw/zinc/22/83/16/629228316.db2.gz FVBMUKQMVXBXBY-UHFFFAOYSA-N 0 1 269.283 2.553 20 30 CFEDMN Cn1cc[nH+]c1[N-]N=C1CCSc2ccccc21 ZINC000790301710 629228381 /nfs/dbraw/zinc/22/83/81/629228381.db2.gz HKWBSMQWMQUZDL-UHFFFAOYSA-N 0 1 258.350 2.732 20 30 CFEDMN COc1ccc(C)cc1C(C)=N[N-]c1[nH+]ccn1C ZINC000790305163 629228960 /nfs/dbraw/zinc/22/89/60/629228960.db2.gz BNWQINZZKUIUDC-UHFFFAOYSA-N 0 1 258.325 2.573 20 30 CFEDMN Cn1cc[nH+]c1[N-]N=C1CCCOc2cc(F)ccc21 ZINC000790303697 629229164 /nfs/dbraw/zinc/22/91/64/629229164.db2.gz XJUVMBRYEJPSKB-UHFFFAOYSA-N 0 1 274.299 2.548 20 30 CFEDMN Cn1ccnc1NN=C1CCCOc2cc(F)ccc21 ZINC000790303697 629229168 /nfs/dbraw/zinc/22/91/68/629229168.db2.gz XJUVMBRYEJPSKB-UHFFFAOYSA-N 0 1 274.299 2.548 20 30 CFEDMN Cn1ccnc1N=NC1CCc2ccc(Cl)cc21 ZINC000790306513 629229526 /nfs/dbraw/zinc/22/95/26/629229526.db2.gz ZRGRWBJKZJFBKW-UHFFFAOYSA-N 0 1 260.728 2.836 20 30 CFEDMN Cn1cc[nH+]c1[N-]N=C1CCc2ccc(Cl)cc21 ZINC000790306513 629229530 /nfs/dbraw/zinc/22/95/30/629229530.db2.gz ZRGRWBJKZJFBKW-UHFFFAOYSA-N 0 1 260.728 2.836 20 30 CFEDMN Cc1c(CN(C)Cc2ccc(O[C@@H](C)C#N)cc2)cnn1C ZINC000790937067 629272211 /nfs/dbraw/zinc/27/22/11/629272211.db2.gz FHUBUMKPBHKPMN-ZDUSSCGKSA-N 0 1 298.390 2.651 20 30 CFEDMN CC[C@@H](C(=O)OCc1ccc(C#N)c(F)c1)N(CC)CC ZINC000791393959 629308593 /nfs/dbraw/zinc/30/85/93/629308593.db2.gz ZBHRCMVGBJLPBI-HNNXBMFYSA-N 0 1 292.354 2.861 20 30 CFEDMN C#CCO[C@@H](C)C(=O)C(C#N)c1nc2ccccc2s1 ZINC000835039280 629333843 /nfs/dbraw/zinc/33/38/43/629333843.db2.gz CQFUFLQJCFWCRA-WDEREUQCSA-N 0 1 284.340 2.511 20 30 CFEDMN C#C[C@H](CCC)NC(=O)[C@H](c1ccccc1)N(CC)CC ZINC000791741949 629350980 /nfs/dbraw/zinc/35/09/80/629350980.db2.gz OYQAQAWIYGAGEV-SJORKVTESA-N 0 1 286.419 2.988 20 30 CFEDMN C#C[C@@H](CCC)NC(=O)[C@H]1CCCN1Cc1ccccc1 ZINC000791744967 629351871 /nfs/dbraw/zinc/35/18/71/629351871.db2.gz JGDXJPVODMCGSC-DLBZAZTESA-N 0 1 284.403 2.569 20 30 CFEDMN CC(C)C[C@@H]1C[C@H]1C(=O)C(C#N)C(=O)NC1CCCCC1 ZINC000835063340 629366533 /nfs/dbraw/zinc/36/65/33/629366533.db2.gz KIJSUVLGPYGUKS-BPLDGKMQSA-N 0 1 290.407 2.826 20 30 CFEDMN CCC[C@@H]1CCC[C@H]1C(=O)C(C#N)C(=O)Nc1ccccn1 ZINC000835076492 629374141 /nfs/dbraw/zinc/37/41/41/629374141.db2.gz JQOARJHBCHXUJI-MGPQQGTHSA-N 0 1 299.374 2.945 20 30 CFEDMN C=CCN(Cc1cccc(Br)n1)[C@@H](C)COC ZINC000852357287 634732479 /nfs/dbraw/zinc/73/24/79/634732479.db2.gz ZZIGGALTRSVNIO-NSHDSACASA-N 0 1 299.212 2.867 20 30 CFEDMN COc1nccnc1C=NNc1nccc2sccc21 ZINC000792976616 629472353 /nfs/dbraw/zinc/47/23/53/629472353.db2.gz DYUOOSCUXCDKNF-UHFFFAOYSA-N 0 1 285.332 2.541 20 30 CFEDMN COc1nccnc1C=NN=c1[nH]ccc2sccc21 ZINC000792976616 629472357 /nfs/dbraw/zinc/47/23/57/629472357.db2.gz DYUOOSCUXCDKNF-UHFFFAOYSA-N 0 1 285.332 2.541 20 30 CFEDMN CC(=NN[C@H](C)C(C)(C)C)c1ccc(N)c([N+](=O)[O-])c1 ZINC000793112580 629488511 /nfs/dbraw/zinc/48/85/11/629488511.db2.gz UVTKAQUCINNILU-SNVBAGLBSA-N 0 1 278.356 2.925 20 30 CFEDMN C#CC[C@H](OC(=O)c1ccc2cncn2c1)c1ccccn1 ZINC000793140627 629492292 /nfs/dbraw/zinc/49/22/92/629492292.db2.gz QPMNPBXTFSFFDJ-INIZCTEOSA-N 0 1 291.310 2.651 20 30 CFEDMN Cc1ccc(O)c(C=NNc2cccc(Cl)n2)n1 ZINC000793174844 629498440 /nfs/dbraw/zinc/49/84/40/629498440.db2.gz NHESPVYRBHEISV-UHFFFAOYSA-N 0 1 262.700 2.590 20 30 CFEDMN Cc1nn(C)c(C)c1C=NNc1cccc(Cl)n1 ZINC000793174539 629498732 /nfs/dbraw/zinc/49/87/32/629498732.db2.gz KCDQWCZQSPBTBC-UHFFFAOYSA-N 0 1 263.732 2.531 20 30 CFEDMN CC(N=Nc1cccc(Cl)n1)c1csc(N)n1 ZINC000793174596 629498830 /nfs/dbraw/zinc/49/88/30/629498830.db2.gz LEGLVHCAIKRCKX-UHFFFAOYSA-N 0 1 267.745 2.610 20 30 CFEDMN COc1ccc(O)c(CN=Nc2cccc(Cl)n2)c1 ZINC000793174051 629498914 /nfs/dbraw/zinc/49/89/14/629498914.db2.gz HEWSKCKXHGNIIT-UHFFFAOYSA-N 0 1 277.711 2.895 20 30 CFEDMN N#CC1(COC(=O)c2ccc3cncn3c2)CCCC1 ZINC000793188485 629502143 /nfs/dbraw/zinc/50/21/43/629502143.db2.gz AUXGCJBYSBPVJL-UHFFFAOYSA-N 0 1 269.304 2.575 20 30 CFEDMN C#CCOCCN1CC2(CCCC2)[C@H]1c1ccco1 ZINC000852426297 634744349 /nfs/dbraw/zinc/74/43/49/634744349.db2.gz JPZJHZPQXJCVOW-OAHLLOKOSA-N 0 1 259.349 2.847 20 30 CFEDMN CCN(CC1CCC1)Cn1cc2c(c(C#N)c1=O)CCCC2 ZINC000793514725 629558287 /nfs/dbraw/zinc/55/82/87/629558287.db2.gz GUWDPMMSBCZOOX-UHFFFAOYSA-N 0 1 299.418 2.678 20 30 CFEDMN C#CCOc1ccccc1CN[C@@H](C)c1cc(C)nn1C ZINC000793538547 629565970 /nfs/dbraw/zinc/56/59/70/629565970.db2.gz FJBNNEKIOBGSTG-AWEZNQCLSA-N 0 1 283.375 2.591 20 30 CFEDMN CC(=NNc1ccc(F)cn1)c1ccc2n[nH]cc2c1 ZINC000794908116 629702648 /nfs/dbraw/zinc/70/26/48/629702648.db2.gz DRWZXDHLHIYNRL-UHFFFAOYSA-N 0 1 269.283 2.933 20 30 CFEDMN COc1cccc(N=NC2CCOc3cc(F)ccc32)n1 ZINC000794928134 629705430 /nfs/dbraw/zinc/70/54/30/629705430.db2.gz SJWHWYTWOOWOAJ-UHFFFAOYSA-N 0 1 287.294 2.828 20 30 CFEDMN CCOc1ccc(C=NNc2cncnc2)cc1OCC ZINC000794972927 629712933 /nfs/dbraw/zinc/71/29/33/629712933.db2.gz PSPRWLVWDWVIIT-UHFFFAOYSA-N 0 1 286.335 2.720 20 30 CFEDMN C(=NNc1cncnc1)c1cccc(-c2cccnc2)c1 ZINC000794973014 629713021 /nfs/dbraw/zinc/71/30/21/629713021.db2.gz RBEFIBRJNVGYMS-UHFFFAOYSA-N 0 1 275.315 2.985 20 30 CFEDMN COc1ccc(CN=Nc2cncnc2)c(Cl)c1 ZINC000794976296 629714206 /nfs/dbraw/zinc/71/42/06/629714206.db2.gz IRTZVDIYGODWIT-UHFFFAOYSA-N 0 1 262.700 2.585 20 30 CFEDMN FC(F)SCc1ccc(CN=Nc2cncnc2)o1 ZINC000794978114 629715185 /nfs/dbraw/zinc/71/51/85/629715185.db2.gz ALDHVVJVTGSGKY-UHFFFAOYSA-N 0 1 284.291 2.971 20 30 CFEDMN CC(C)c1n[nH]c(COC(=O)C=Cc2ccccc2C#N)n1 ZINC000795313779 629759935 /nfs/dbraw/zinc/75/99/35/629759935.db2.gz ORGRJYVHZAUBLU-BQYQJAHWSA-N 0 1 296.330 2.556 20 30 CFEDMN CC(C)c1nc(COC(=O)C=Cc2ccccc2C#N)n[nH]1 ZINC000795313779 629759940 /nfs/dbraw/zinc/75/99/40/629759940.db2.gz ORGRJYVHZAUBLU-BQYQJAHWSA-N 0 1 296.330 2.556 20 30 CFEDMN C#CCOc1cccc(NS(=O)(=O)c2ccsc2)c1 ZINC000795320562 629760557 /nfs/dbraw/zinc/76/05/57/629760557.db2.gz ZPKLPPFZDJPJPN-UHFFFAOYSA-N 0 1 293.369 2.561 20 30 CFEDMN C=CCC1(C(=O)OCc2nc(C(C)C)n[nH]2)CCC1 ZINC000795533939 629795519 /nfs/dbraw/zinc/79/55/19/629795519.db2.gz ZVOZIRMRMXXFRU-UHFFFAOYSA-N 0 1 263.341 2.718 20 30 CFEDMN C=CCC1(C(=O)OCc2n[nH]c(C(C)C)n2)CCC1 ZINC000795533939 629795525 /nfs/dbraw/zinc/79/55/25/629795525.db2.gz ZVOZIRMRMXXFRU-UHFFFAOYSA-N 0 1 263.341 2.718 20 30 CFEDMN COc1ccc([C@H]2CCCN2CCO[C@@H](C)C#N)cc1F ZINC000852521384 634770495 /nfs/dbraw/zinc/77/04/95/634770495.db2.gz OKPVMXQPUHFGIY-SWLSCSKDSA-N 0 1 292.354 2.900 20 30 CFEDMN N#CC(C(=O)NC1CCCC1)C(=O)C1CCCCCC1 ZINC000102122141 629815097 /nfs/dbraw/zinc/81/50/97/629815097.db2.gz PVNLRYVKQGZSQP-AWEZNQCLSA-N 0 1 276.380 2.724 20 30 CFEDMN C=C(C)CN(CCC1OCCO1)Cc1cnn(C(C)C)c1 ZINC000796453931 629919769 /nfs/dbraw/zinc/91/97/69/629919769.db2.gz OPHDMIXGVHPNML-UHFFFAOYSA-N 0 1 293.411 2.605 20 30 CFEDMN Cc1cc([C@@H](C#N)C(=O)[C@@H]2Cc3ccc(F)cc32)nc(C)n1 ZINC000796633613 629943229 /nfs/dbraw/zinc/94/32/29/629943229.db2.gz QPKPRCQHCSRKNW-HUUCEWRRSA-N 0 1 295.317 2.749 20 30 CFEDMN CC(C)NC(=O)[C@H](C#N)C(=O)[C@@H]1CCC[C@@H]2CCCC[C@H]12 ZINC000796791722 629968678 /nfs/dbraw/zinc/96/86/78/629968678.db2.gz GMXTUDZIIMYBKH-BYNSBNAKSA-N 0 1 290.407 2.826 20 30 CFEDMN C#CCN1CCC[C@H]1COC(=O)C(C1CCC1)C1CCC1 ZINC000796988628 630000676 /nfs/dbraw/zinc/00/06/76/630000676.db2.gz LCJMFPKWMJXYJF-INIZCTEOSA-N 0 1 289.419 2.844 20 30 CFEDMN N#CCC1(CNCc2c(Cl)nc3ccccn32)CC1 ZINC000797468982 630071177 /nfs/dbraw/zinc/07/11/77/630071177.db2.gz RSSAYLWEEDPOHE-UHFFFAOYSA-N 0 1 274.755 2.771 20 30 CFEDMN C=CC[C@@H](CC)NC(=O)NCc1n[nH]c(-c2ccccc2)n1 ZINC000798421356 630190532 /nfs/dbraw/zinc/19/05/32/630190532.db2.gz KBSINJSIFZVVQR-CYBMUJFWSA-N 0 1 299.378 2.626 20 30 CFEDMN C=CC[C@@H](CC)NC(=O)NCc1nc(-c2ccccc2)n[nH]1 ZINC000798421356 630190538 /nfs/dbraw/zinc/19/05/38/630190538.db2.gz KBSINJSIFZVVQR-CYBMUJFWSA-N 0 1 299.378 2.626 20 30 CFEDMN CC(C)[C@@H](C(=O)O[C@H](C)c1cccc(C#N)c1)N(C)C ZINC000798824307 630242544 /nfs/dbraw/zinc/24/25/44/630242544.db2.gz GLCHQPUFWKZEMZ-DOMZBBRYSA-N 0 1 274.364 2.749 20 30 CFEDMN O=[N+]([O-])c1ccc(NN=Cc2cc(C(F)(F)F)n[nH]2)cc1 ZINC000799463935 630311174 /nfs/dbraw/zinc/31/11/74/630311174.db2.gz NAYXFMNNVMAERR-UHFFFAOYSA-N 0 1 299.212 2.783 20 30 CFEDMN COc1ccc(NN=Cc2cc(C(F)(F)F)n[nH]2)cc1 ZINC000799482861 630313315 /nfs/dbraw/zinc/31/33/15/630313315.db2.gz QWJSTNKJWDFWKY-UHFFFAOYSA-N 0 1 284.241 2.883 20 30 CFEDMN CCCC[C@@H](C)C(=O)C(C#N)C(=O)Nc1ccccn1 ZINC000800385789 630376636 /nfs/dbraw/zinc/37/66/36/630376636.db2.gz BTMYGWZXHZNQKW-VXGBXAGGSA-N 0 1 273.336 2.555 20 30 CFEDMN CC#CC(=O)N1CCC[C@@H]1c1nc2ccc(Cl)cc2[nH]1 ZINC000801166977 630431574 /nfs/dbraw/zinc/43/15/74/630431574.db2.gz PVCCUKVIJPZNOJ-CYBMUJFWSA-N 0 1 287.750 2.903 20 30 CFEDMN CC#CC(=O)Nc1nc2ccc(C(F)(F)F)cc2[nH]1 ZINC000801177210 630432048 /nfs/dbraw/zinc/43/20/48/630432048.db2.gz KNDLNOLALVFESP-UHFFFAOYSA-N 0 1 267.210 2.544 20 30 CFEDMN C=CCN(CCO[C@@H](C)C#N)Cc1cccs1 ZINC000801910701 630483964 /nfs/dbraw/zinc/48/39/64/630483964.db2.gz VRSKXRQQLCIWQO-LBPRGKRZSA-N 0 1 250.367 2.665 20 30 CFEDMN C[C@@H](C#N)OCCN(C)Cc1ccc(Cl)c(F)c1 ZINC000801935912 630491804 /nfs/dbraw/zinc/49/18/04/630491804.db2.gz NBKDKLOXYDRKID-JTQLQIEISA-N 0 1 270.735 2.840 20 30 CFEDMN C[C@@H](C#N)OCCNC1(c2ccc(F)cc2F)CCC1 ZINC000801940053 630492867 /nfs/dbraw/zinc/49/28/67/630492867.db2.gz UUUCKEHTVMIKKB-NSHDSACASA-N 0 1 280.318 2.862 20 30 CFEDMN CCCc1nc(C(=O)[C@H](C#N)C(=O)Nc2ccccc2)co1 ZINC000802042290 630499352 /nfs/dbraw/zinc/49/93/52/630499352.db2.gz COIBWHXQKRFUGU-LBPRGKRZSA-N 0 1 297.314 2.588 20 30 CFEDMN CCCc1nc(C(=O)C(C#N)C(=O)Nc2ccccc2)co1 ZINC000802042290 630499357 /nfs/dbraw/zinc/49/93/57/630499357.db2.gz COIBWHXQKRFUGU-LBPRGKRZSA-N 0 1 297.314 2.588 20 30 CFEDMN C=CCN1CCN(CN(C)C[C@@H](C)c2ccccc2)C1=O ZINC000839988589 630579526 /nfs/dbraw/zinc/57/95/26/630579526.db2.gz PJPDHRUEQVNVIK-OAHLLOKOSA-N 0 1 287.407 2.603 20 30 CFEDMN C=CCN(CC1CCCCC1)CN1CC[C@@H](C)C1=O ZINC000839997967 630602208 /nfs/dbraw/zinc/60/22/08/630602208.db2.gz XQMDJAREDITTAR-CQSZACIVSA-N 0 1 264.413 2.881 20 30 CFEDMN C#CCCN(CCOC)Cc1cc(-c2ccccc2)no1 ZINC000852751637 634825787 /nfs/dbraw/zinc/82/57/87/634825787.db2.gz JFKXMRYISOQOBH-UHFFFAOYSA-N 0 1 284.359 2.813 20 30 CFEDMN N#CCCCCCC(=O)NCc1n[nH]c(-c2ccccc2)n1 ZINC000806727874 630832055 /nfs/dbraw/zinc/83/20/55/630832055.db2.gz CMOUJDYOYVAKLZ-UHFFFAOYSA-N 0 1 297.362 2.562 20 30 CFEDMN N#CCCCCCC(=O)NCc1nc(-c2ccccc2)n[nH]1 ZINC000806727874 630832056 /nfs/dbraw/zinc/83/20/56/630832056.db2.gz CMOUJDYOYVAKLZ-UHFFFAOYSA-N 0 1 297.362 2.562 20 30 CFEDMN C#C[C@H](NC(=O)[C@H]1CCCN1Cc1ccccc1)C(C)(C)C ZINC000807882741 630919196 /nfs/dbraw/zinc/91/91/96/630919196.db2.gz ZAUYWVLLZLWXLF-SJORKVTESA-N 0 1 298.430 2.815 20 30 CFEDMN CCC(N=Nc1ccc([N+](=O)[O-])cc1C)c1cn[nH]c1 ZINC000807990440 630932143 /nfs/dbraw/zinc/93/21/43/630932143.db2.gz BSTDFSTTXBZGLI-UHFFFAOYSA-N 0 1 273.296 2.853 20 30 CFEDMN CCC(N=Nc1ccc([N+](=O)[O-])cc1C)c1cnn(C)c1 ZINC000807989583 630932152 /nfs/dbraw/zinc/93/21/52/630932152.db2.gz KMPHIWZVNGNJIN-UHFFFAOYSA-N 0 1 287.323 2.863 20 30 CFEDMN Cc1nn(-c2ccncc2)cc1C=NNCC1CCCC1 ZINC000808006147 630940183 /nfs/dbraw/zinc/94/01/83/630940183.db2.gz RIDOTKGEDIVTKX-UHFFFAOYSA-N 0 1 283.379 2.689 20 30 CFEDMN N#Cc1cnccc1NCc1cc(Cl)cc(Cl)c1O ZINC000808088828 630949061 /nfs/dbraw/zinc/94/90/61/630949061.db2.gz CXIBKZBOFBWDHJ-UHFFFAOYSA-N 0 1 294.141 3.000 20 30 CFEDMN CC[C@@H](CC(F)F)C(=O)Nc1cc(C#N)ccc1O ZINC000837495901 631047917 /nfs/dbraw/zinc/04/79/17/631047917.db2.gz GBYRAWIRDHTGLM-VIFPVBQESA-N 0 1 268.263 2.884 20 30 CFEDMN CC[C@H](C)c1nc([C@@H](C)NC(=O)C#CC(C)(C)C)n[nH]1 ZINC000837573472 631072176 /nfs/dbraw/zinc/07/21/76/631072176.db2.gz CROABMXXXLNRMY-WDEREUQCSA-N 0 1 276.384 2.545 20 30 CFEDMN N#CC[C@@H](O)CN(Cc1ccc(Cl)cc1)C1CC1 ZINC000809572382 631236917 /nfs/dbraw/zinc/23/69/17/631236917.db2.gz LTZAYWOYVVGWGS-CQSZACIVSA-N 0 1 264.756 2.579 20 30 CFEDMN C#Cc1ccc(CN2C[C@H](CC)N(C(C)=O)C[C@H]2CC)cc1 ZINC000809582742 631242323 /nfs/dbraw/zinc/24/23/23/631242323.db2.gz CHGTYBLTQWHPRI-MOPGFXCFSA-N 0 1 298.430 2.889 20 30 CFEDMN C#Cc1ccc(CNCc2c(C)nn(CC)c2C)cc1 ZINC000809613213 631247040 /nfs/dbraw/zinc/24/70/40/631247040.db2.gz NZRKKSNHWXPKDN-UHFFFAOYSA-N 0 1 267.376 2.791 20 30 CFEDMN C#Cc1ccc(CN[C@H](CC(=O)NC)c2ccccc2)cc1 ZINC000809658291 631258214 /nfs/dbraw/zinc/25/82/14/631258214.db2.gz KFFLSQMDKFQTCJ-GOSISDBHSA-N 0 1 292.382 2.635 20 30 CFEDMN C#C[C@H](NCc1cc2c(cc1OC(F)F)OCO2)C(C)C ZINC000809684578 631261512 /nfs/dbraw/zinc/26/15/12/631261512.db2.gz HNNVOSRJUCEAEH-NSHDSACASA-N 0 1 297.301 2.764 20 30 CFEDMN C=C(CC)CN(C)C1CN(C(=O)OC(C)(C)C)C1 ZINC000810071985 631322690 /nfs/dbraw/zinc/32/26/90/631322690.db2.gz DBLVYBWSHGOYGC-UHFFFAOYSA-N 0 1 254.374 2.504 20 30 CFEDMN C=CCOc1ccccc1C(=O)O[C@@H](C)c1n[nH]c(C)n1 ZINC000840198683 631361887 /nfs/dbraw/zinc/36/18/87/631361887.db2.gz BYNCSGPARNETHW-JTQLQIEISA-N 0 1 287.319 2.596 20 30 CFEDMN C=CCN1C(=O)N=NC1SCc1ccc(C)nc1Cl ZINC000840199896 631363010 /nfs/dbraw/zinc/36/30/10/631363010.db2.gz LLZIIZYJFDPBME-UHFFFAOYSA-N 0 1 296.783 2.819 20 30 CFEDMN CCCCCCCC[C@H](C)C(=O)N[C@H]1CNC[C@H]1C#N ZINC000852876282 634853153 /nfs/dbraw/zinc/85/31/53/634853153.db2.gz XEIJLPXHALQREX-ZNMIVQPWSA-N 0 1 279.428 2.601 20 30 CFEDMN C#CCN1CCC[C@@H]1COC(=O)CCc1ccc(C)s1 ZINC000810572783 631393770 /nfs/dbraw/zinc/39/37/70/631393770.db2.gz GTUOPWJKQRMSRD-CQSZACIVSA-N 0 1 291.416 2.630 20 30 CFEDMN Cc1nc(Cl)cc(N=NCc2cnc(C3CC3)nc2)n1 ZINC000841625772 631434902 /nfs/dbraw/zinc/43/49/02/631434902.db2.gz LRQUPFLGYDMCJQ-UHFFFAOYSA-N 0 1 288.742 2.552 20 30 CFEDMN O=c1[nH]c(N=NC2CCC[C@@H]3C[C@@H]32)nc2ccccc21 ZINC000841629725 631436654 /nfs/dbraw/zinc/43/66/54/631436654.db2.gz SUJNHNJUMGMMGB-KOLCDFICSA-N 0 1 268.320 2.923 20 30 CFEDMN C#CCC1(OC(=O)c2cccc(-c3nnc[nH]3)c2)CCC1 ZINC000810745828 631438559 /nfs/dbraw/zinc/43/85/59/631438559.db2.gz UVNKEFXSZHVQIA-UHFFFAOYSA-N 0 1 281.315 2.575 20 30 CFEDMN Cc1ccc(-c2cc(C(=O)OC3(CC#N)CCC3)[nH]n2)o1 ZINC000810858829 631462147 /nfs/dbraw/zinc/46/21/47/631462147.db2.gz MXXFPMQMXIDFPJ-UHFFFAOYSA-N 0 1 285.303 2.971 20 30 CFEDMN CCCCCCCCNC(=O)N1C[C@H]2CCC[C@@H](C1)N2 ZINC000841863963 631482763 /nfs/dbraw/zinc/48/27/63/631482763.db2.gz IJQLZEQLHUQYSC-GASCZTMLSA-N 0 1 281.444 2.883 20 30 CFEDMN CC[C@H](C#N)Oc1cccc(CNCc2cncn2CC)c1 ZINC000841864060 631482871 /nfs/dbraw/zinc/48/28/71/631482871.db2.gz KBUFTNIFIPQCMM-MRXNPFEDSA-N 0 1 298.390 2.874 20 30 CFEDMN CC(C)(C)OC(=O)N[C@H]1CCC[C@@H]1NCC1(C#N)CCC1 ZINC000841897935 631489972 /nfs/dbraw/zinc/48/99/72/631489972.db2.gz JGIJWXRZOYXPHP-STQMWFEESA-N 0 1 293.411 2.716 20 30 CFEDMN Cc1ccccc1NC(=O)C[C@@H](C)NCC1(C#N)CCC1 ZINC000841898904 631491571 /nfs/dbraw/zinc/49/15/71/631491571.db2.gz QDQZWVCGNFMGAH-CQSZACIVSA-N 0 1 285.391 2.996 20 30 CFEDMN C#CCN(Cc1[nH]ncc1C)[C@@H]1CCc2ccccc21 ZINC000811452627 631563690 /nfs/dbraw/zinc/56/36/90/631563690.db2.gz BYQQBOMWIGFTEA-QGZVFWFLSA-N 0 1 265.360 2.841 20 30 CFEDMN CC[C@@H](CC1CCCCC1)C(=O)C(C#N)C(=O)NC1CC1 ZINC000842288183 631580368 /nfs/dbraw/zinc/58/03/68/631580368.db2.gz CHIPLDHBTNUXPJ-DZGCQCFKSA-N 0 1 290.407 2.970 20 30 CFEDMN CC(=N[N-]c1ccc(C)c[nH+]1)c1cc2n(n1)CCCC2 ZINC000842526343 631652761 /nfs/dbraw/zinc/65/27/61/631652761.db2.gz SONVUBCLXSSDBF-UHFFFAOYSA-N 0 1 269.352 2.759 20 30 CFEDMN CC(C)Cn1nccc1CN=Nc1cnnc2ccccc12 ZINC000842527988 631652982 /nfs/dbraw/zinc/65/29/82/631652982.db2.gz RDMBOLQYHRDGAO-UHFFFAOYSA-N 0 1 294.362 2.928 20 30 CFEDMN C#CC1CCN(Cn2cc(-c3ccccc3)cn2)CC1 ZINC000842633200 631687139 /nfs/dbraw/zinc/68/71/39/631687139.db2.gz CQLSGXULENGOAS-UHFFFAOYSA-N 0 1 265.360 2.853 20 30 CFEDMN C#CCC1(c2nc([C@H]3CCCN3)no2)CCCCC1 ZINC000842637794 631688764 /nfs/dbraw/zinc/68/87/64/631688764.db2.gz RKBWCTPMMLVDNA-GFCCVEGCSA-N 0 1 259.353 2.719 20 30 CFEDMN C#CC1CCN(Cn2ccc(-c3cccs3)n2)CC1 ZINC000842634564 631689018 /nfs/dbraw/zinc/68/90/18/631689018.db2.gz XZPKPARCCZDWHF-UHFFFAOYSA-N 0 1 271.389 2.914 20 30 CFEDMN C=C(Cl)CNCc1cn(C)nc1-c1ccc(C)o1 ZINC000842683650 631705959 /nfs/dbraw/zinc/70/59/59/631705959.db2.gz QAMIBNMLWFVYDD-UHFFFAOYSA-N 0 1 265.744 2.831 20 30 CFEDMN CC(C)=CCC[C@@H](C)CC(=O)[C@@H](C#N)C(=O)NC1CC1 ZINC000842684571 631706030 /nfs/dbraw/zinc/70/60/30/631706030.db2.gz HWMFYLUOVUJYEY-TZMCWYRMSA-N 0 1 276.380 2.746 20 30 CFEDMN CC(C)=CCC[C@@H](C)CC(=O)[C@H](C#N)C(=O)NC1CC1 ZINC000842684570 631706285 /nfs/dbraw/zinc/70/62/85/631706285.db2.gz HWMFYLUOVUJYEY-OCCSQVGLSA-N 0 1 276.380 2.746 20 30 CFEDMN CCc1cc(CNc2cc(C(F)(F)F)cnc2C#N)n[nH]1 ZINC000840260107 631735506 /nfs/dbraw/zinc/73/55/06/631735506.db2.gz HYMLQNWZUMPVHF-UHFFFAOYSA-N 0 1 295.268 2.870 20 30 CFEDMN Cn1cc(CNCc2ccc(C#N)cc2)c(C(F)F)n1 ZINC000812746907 631766522 /nfs/dbraw/zinc/76/65/22/631766522.db2.gz LBZBMBATWBCFIA-UHFFFAOYSA-N 0 1 276.290 2.519 20 30 CFEDMN N#CC(C(=O)C=Cc1ccncn1)c1nc(C2CC2)cs1 ZINC000842946557 631790109 /nfs/dbraw/zinc/79/01/09/631790109.db2.gz WCODPIOAJRKGBJ-PCAWENJQSA-N 0 1 296.355 2.700 20 30 CFEDMN Cc1cccc2nc([C@H](C#N)C(=O)CCCC#N)[nH]c21 ZINC000813070158 631825708 /nfs/dbraw/zinc/82/57/08/631825708.db2.gz QCJATEUAKJFSJA-LLVKDONJSA-N 0 1 266.304 2.741 20 30 CFEDMN N#CC(C(=O)C1=CCOCC1)c1cc(C(F)(F)F)ccn1 ZINC000813211392 631881599 /nfs/dbraw/zinc/88/15/99/631881599.db2.gz JMDACNCSXIDNGK-NSHDSACASA-N 0 1 296.248 2.623 20 30 CFEDMN C#Cc1ccc(CNCC(=O)Nc2cccc(F)c2)cc1 ZINC000813330725 631902572 /nfs/dbraw/zinc/90/25/72/631902572.db2.gz FIFYYVPMIGZUDI-UHFFFAOYSA-N 0 1 282.318 2.535 20 30 CFEDMN C#CC[C@@H]1CCCN(Cc2cn3cccc(F)c3n2)C1 ZINC000843424141 631953327 /nfs/dbraw/zinc/95/33/27/631953327.db2.gz PBBIAYHVMZZLBP-CYBMUJFWSA-N 0 1 271.339 2.709 20 30 CFEDMN C#CCOc1ccc(CN2C[C@H](C)OC3(CCC3)C2)cc1 ZINC000843434887 631959777 /nfs/dbraw/zinc/95/97/77/631959777.db2.gz FEOIBXZCWDCZAX-HNNXBMFYSA-N 0 1 285.387 2.842 20 30 CFEDMN Cc1cc(CN2CC[C@@H](Oc3ccc(C#N)cn3)C2)c(C)o1 ZINC000814171925 632021874 /nfs/dbraw/zinc/02/18/74/632021874.db2.gz ULIGCSZYQHOCAB-MRXNPFEDSA-N 0 1 297.358 2.816 20 30 CFEDMN Cc1nnsc1C=NNc1ncccc1C(F)(F)F ZINC000814218024 632039692 /nfs/dbraw/zinc/03/96/92/632039692.db2.gz JZGBPJJLYRWLRO-UHFFFAOYSA-N 0 1 287.270 2.706 20 30 CFEDMN CC(C)(C)c1nnc(COC(=O)CCCCCC#N)[nH]1 ZINC000814477242 632075415 /nfs/dbraw/zinc/07/54/15/632075415.db2.gz HOGGVWPQYUKYAK-UHFFFAOYSA-N 0 1 278.356 2.619 20 30 CFEDMN CC(C)(C)c1nc(COC(=O)CCCCCC#N)n[nH]1 ZINC000814477242 632075417 /nfs/dbraw/zinc/07/54/17/632075417.db2.gz HOGGVWPQYUKYAK-UHFFFAOYSA-N 0 1 278.356 2.619 20 30 CFEDMN Cc1c[nH]nc1C=NNc1ccc(C(F)(F)F)cn1 ZINC000814711687 632111792 /nfs/dbraw/zinc/11/17/92/632111792.db2.gz RRWKVPRGEKABIG-UHFFFAOYSA-N 0 1 269.230 2.578 20 30 CFEDMN C[C@H]1C(N=Nc2cnccn2)CCCN1Cc1ccccc1 ZINC000814797066 632125413 /nfs/dbraw/zinc/12/54/13/632125413.db2.gz CZEJSGLFGOLTSW-AWEZNQCLSA-N 0 1 295.390 2.929 20 30 CFEDMN C#CC1CCN(C(=O)c2[nH]nc3ccc(Cl)cc32)CC1 ZINC000844148798 632127261 /nfs/dbraw/zinc/12/72/61/632127261.db2.gz FEINOOSHRFTNLO-UHFFFAOYSA-N 0 1 287.750 2.702 20 30 CFEDMN CSc1ccc(C=NNCCN2CCCCC2)s1 ZINC000814808121 632128603 /nfs/dbraw/zinc/12/86/03/632128603.db2.gz CUFVMCARQRVGHY-UHFFFAOYSA-N 0 1 283.466 2.879 20 30 CFEDMN Cc1c[nH]nc1CN=Nc1ccc([N+](=O)[O-])cc1Cl ZINC000814833057 632134283 /nfs/dbraw/zinc/13/42/83/632134283.db2.gz WARBHGZZQQNVDO-UHFFFAOYSA-N 0 1 279.687 2.726 20 30 CFEDMN CC(=NNc1cnnc2ccccc21)c1cccc(CO)c1 ZINC000814849025 632138066 /nfs/dbraw/zinc/13/80/66/632138066.db2.gz DPQKJEAYSMQZCX-UHFFFAOYSA-N 0 1 292.342 2.958 20 30 CFEDMN N#Cc1csc(CN=Nc2cccc(F)c2F)n1 ZINC000814859086 632140668 /nfs/dbraw/zinc/14/06/68/632140668.db2.gz JKMJAEBPFUDZMP-UHFFFAOYSA-N 0 1 264.260 2.739 20 30 CFEDMN CC(=NNc1cc(F)c(F)c(F)c1)c1ccc(N)nc1 ZINC000814863805 632141534 /nfs/dbraw/zinc/14/15/34/632141534.db2.gz CVDFGNXAYMSCNA-UHFFFAOYSA-N 0 1 280.253 2.917 20 30 CFEDMN COC(=O)c1ccc(NN=Cc2ccsc2C)nc1 ZINC000814886955 632149305 /nfs/dbraw/zinc/14/93/05/632149305.db2.gz KZQGIRCNVJWFPA-UHFFFAOYSA-N 0 1 275.333 2.684 20 30 CFEDMN CC(=NNc1nc2ccccc2cc1C)c1cnnn1C ZINC000814896246 632153211 /nfs/dbraw/zinc/15/32/11/632153211.db2.gz POBUGMSAEOTYMT-UHFFFAOYSA-N 0 1 280.335 2.508 20 30 CFEDMN Cc1cccnc1N=NCc1ccc2oncc2c1 ZINC000814911450 632160662 /nfs/dbraw/zinc/16/06/62/632160662.db2.gz IJDNTINWEYDZIV-UHFFFAOYSA-N 0 1 252.277 2.977 20 30 CFEDMN Cn1cc[nH+]c1[N-]N=Cc1ccc2ccccc2c1O ZINC000814918174 632164413 /nfs/dbraw/zinc/16/44/13/632164413.db2.gz DLWFADYCMAANIT-UHFFFAOYSA-N 0 1 266.304 2.725 20 30 CFEDMN CSc1ccc(CN=Nc2cncnc2)s1 ZINC000814926906 632167590 /nfs/dbraw/zinc/16/75/90/632167590.db2.gz PITMFYULJSXDFS-UHFFFAOYSA-N 0 1 250.352 2.706 20 30 CFEDMN c1cc2c3c(c1)C(N=Nc1cncnc1)CC[C@@H]3CN2 ZINC000814927052 632168696 /nfs/dbraw/zinc/16/86/96/632168696.db2.gz VGFSNOGSDTWLPA-SNVBAGLBSA-N 0 1 265.320 2.596 20 30 CFEDMN COCCCON=C1CC[C@H]2CNc3cccc1c32 ZINC000814931206 632170048 /nfs/dbraw/zinc/17/00/48/632170048.db2.gz NEQWWCWJNWVGJC-NSHDSACASA-N 0 1 260.337 2.747 20 30 CFEDMN CCC(=NOCCOC(C)C)c1cccc(N)c1 ZINC000814936879 632174240 /nfs/dbraw/zinc/17/42/40/632174240.db2.gz MUBQXBCFEWAIQP-UHFFFAOYSA-N 0 1 250.342 2.825 20 30 CFEDMN Cc1c[nH]nc1CN=Nc1ccc(F)c(F)c1F ZINC000814944952 632177025 /nfs/dbraw/zinc/17/70/25/632177025.db2.gz FEGLTQUTICNMGG-UHFFFAOYSA-N 0 1 254.215 2.581 20 30 CFEDMN CCc1ccc(CN(C)C[C@@H](O)c2cccc(C#N)c2)nc1 ZINC000844370117 632182247 /nfs/dbraw/zinc/18/22/47/632182247.db2.gz FYEZQRFJSXUGIT-GOSISDBHSA-N 0 1 295.386 2.681 20 30 CFEDMN COc1c(C)cc(C(C)=NNc2cnnn2C)cc1Cl ZINC000814981497 632183814 /nfs/dbraw/zinc/18/38/14/632183814.db2.gz AOAHNJAUBDGHKE-UHFFFAOYSA-N 0 1 293.758 2.622 20 30 CFEDMN CCC(N=Nc1cnnn1C)c1cccc(Cl)c1F ZINC000814982812 632185304 /nfs/dbraw/zinc/18/53/04/632185304.db2.gz PHYMBGVTSXMRTD-UHFFFAOYSA-N 0 1 281.722 2.834 20 30 CFEDMN C=CCN(CCOC)C[C@@H](O)c1cc2ccccc2o1 ZINC000815101211 632202793 /nfs/dbraw/zinc/20/27/93/632202793.db2.gz QRRDAAFWOHLNCB-CQSZACIVSA-N 0 1 275.348 2.601 20 30 CFEDMN CC#CCN(C)C[C@H](O)c1cccc2ccccc21 ZINC000815280114 632243332 /nfs/dbraw/zinc/24/33/32/632243332.db2.gz WDYABPBRYZVWBM-KRWDZBQOSA-N 0 1 253.345 2.828 20 30 CFEDMN C=C[C@H](C)ON=C(C)c1cc(OC)c(O)c([N+](=O)[O-])c1 ZINC000844622423 632265874 /nfs/dbraw/zinc/26/58/74/632265874.db2.gz ZGOFWTDGUNVDLF-QMMMGPOBSA-N 0 1 280.280 2.624 20 30 CFEDMN C=C[C@@H](C)ON=C(C)c1ccc(N2CCOCC2)cc1 ZINC000844623269 632267069 /nfs/dbraw/zinc/26/70/69/632267069.db2.gz LEFWSMPBPGRZKD-CYBMUJFWSA-N 0 1 274.364 2.838 20 30 CFEDMN C#C[C@H](N[C@H](C)c1ccc(F)cc1C)[C@H]1CCCO1 ZINC000815617469 632298792 /nfs/dbraw/zinc/29/87/92/632298792.db2.gz OBRCVVJHJQWCQR-UHOFOFEASA-N 0 1 261.340 2.966 20 30 CFEDMN CC(C)(CC(=O)C(C#N)C(=O)NCc1ccccc1)C1CC1 ZINC000815906915 632331868 /nfs/dbraw/zinc/33/18/68/632331868.db2.gz MPBPBVMURNCEIZ-OAHLLOKOSA-N 0 1 298.386 2.838 20 30 CFEDMN N#C[C@@H](C(=O)NC1CCCC1)C(=O)[C@@H]1CC2CCC1CC2 ZINC000815913023 632331951 /nfs/dbraw/zinc/33/19/51/632331951.db2.gz GBHUWDBXNSOXCA-BBNOBNGHSA-N 0 1 288.391 2.580 20 30 CFEDMN CC(C)(CC(=O)[C@H](C#N)C(=O)NC1CCCCC1)C1CC1 ZINC000815906944 632332011 /nfs/dbraw/zinc/33/20/11/632332011.db2.gz NMNJIIHZYXLUGR-AWEZNQCLSA-N 0 1 290.407 2.970 20 30 CFEDMN CC(C)(CC(=O)[C@@H](C#N)C(=O)NC1CCCCC1)C1CC1 ZINC000815906945 632332408 /nfs/dbraw/zinc/33/24/08/632332408.db2.gz NMNJIIHZYXLUGR-CQSZACIVSA-N 0 1 290.407 2.970 20 30 CFEDMN CCc1nc(C)c(C(=O)C(C#N)C(=O)Nc2ccccc2)o1 ZINC000815907733 632332538 /nfs/dbraw/zinc/33/25/38/632332538.db2.gz IYVPHNBNKBFEBO-GFCCVEGCSA-N 0 1 297.314 2.507 20 30 CFEDMN CC(C)(CC(=O)[C@H](C#N)C(=O)Nc1ccccn1)C1CC1 ZINC000815915045 632333268 /nfs/dbraw/zinc/33/32/68/632333268.db2.gz BSPKAHDPCHFMCR-LBPRGKRZSA-N 0 1 285.347 2.555 20 30 CFEDMN C#CCN1CCC[C@H]1COC(=O)C(C)(C)C(C)(C)C ZINC000815940512 632338246 /nfs/dbraw/zinc/33/82/46/632338246.db2.gz XOCXNNRRLLLUGH-ZDUSSCGKSA-N 0 1 265.397 2.700 20 30 CFEDMN N#CC(C(=O)[C@@H]1C[C@H]1C1CCC1)c1nnc2n1CCCCC2 ZINC000845445029 632435740 /nfs/dbraw/zinc/43/57/40/632435740.db2.gz FMZFBNPGOMJCTK-BFHYXJOUSA-N 0 1 298.390 2.617 20 30 CFEDMN N#CC(C(=O)[C@@H]1C[C@@H]2C=C[C@H]1CC2)c1ccccn1 ZINC000845440034 632435747 /nfs/dbraw/zinc/43/57/47/632435747.db2.gz CHSQEXGWLBTLLA-RQJABVFESA-N 0 1 252.317 2.860 20 30 CFEDMN C[C@H]1CC[C@H](C(=O)C(C#N)C(=O)Nc2ccccn2)CC1 ZINC000845446904 632437369 /nfs/dbraw/zinc/43/73/69/632437369.db2.gz WHBDAQBVFJSQBA-AVGNSLFASA-N 0 1 285.347 2.555 20 30 CFEDMN CC(C)(C)N1CC[C@@H]1COC(=O)c1cc(C#N)cs1 ZINC000845741146 632547496 /nfs/dbraw/zinc/54/74/96/632547496.db2.gz SQUCUHTUVDUNLC-LLVKDONJSA-N 0 1 278.377 2.649 20 30 CFEDMN CS[C@H](C)C(O)=C(C#N)C(=O)C1(c2ccccc2)CC1 ZINC000845839513 632577475 /nfs/dbraw/zinc/57/74/75/632577475.db2.gz UYGJHBQJXVSDOP-YPMHNXCESA-N 0 1 287.384 2.748 20 30 CFEDMN CCCC(=O)C(C#N)=C(O)C1(c2ccccc2)CC1 ZINC000845840213 632578761 /nfs/dbraw/zinc/57/87/61/632578761.db2.gz LWWFKXCOMPIETB-ZDUSSCGKSA-N 0 1 255.317 2.796 20 30 CFEDMN C[C@@H]1C[C@H]1C(=O)C(C#N)=C(O)C1(c2ccccc2)CC1 ZINC000845843022 632578832 /nfs/dbraw/zinc/57/88/32/632578832.db2.gz XAOGOPPPGGQVHI-MRVWCRGKSA-N 0 1 267.328 2.652 20 30 CFEDMN N#CC(C(=O)CC1(C#N)CC1)=C(O)C1(c2ccccc2)CC1 ZINC000845845781 632579219 /nfs/dbraw/zinc/57/92/19/632579219.db2.gz ZCZIKTWUPHIAPN-AWEZNQCLSA-N 0 1 292.338 2.690 20 30 CFEDMN C#Cc1ccc(CNCc2ncc(C)c(OC)c2C)cc1 ZINC000846057592 632626362 /nfs/dbraw/zinc/62/63/62/632626362.db2.gz XTWJGQQDDVUDNA-UHFFFAOYSA-N 0 1 280.371 2.978 20 30 CFEDMN C=CCOc1cccc(CN2C[C@H]3[C@@H](C2)C3(F)F)c1 ZINC000846111524 632634588 /nfs/dbraw/zinc/63/45/88/632634588.db2.gz QFCZEYXHMVBDEK-OKILXGFUSA-N 0 1 265.303 2.948 20 30 CFEDMN C=CC[N@H+](CCSC1CCCCC1)CC(=O)[O-] ZINC000846263713 632677117 /nfs/dbraw/zinc/67/71/17/632677117.db2.gz UWUDWDGFSCHPQA-UHFFFAOYSA-N 0 1 257.399 2.625 20 30 CFEDMN C=CC[N@@H+](CC(=O)[O-])Cc1ccc(-n2nc(C)cc2C)cc1 ZINC000846263237 632677169 /nfs/dbraw/zinc/67/71/69/632677169.db2.gz HFAVBJVNEZJXAI-UHFFFAOYSA-N 0 1 299.374 2.562 20 30 CFEDMN C=C(Br)C[N@H+](CC(=O)[O-])C1CCCCC1 ZINC000846273526 632679359 /nfs/dbraw/zinc/67/93/59/632679359.db2.gz YPHJGLUDRVNNLC-UHFFFAOYSA-N 0 1 276.174 2.614 20 30 CFEDMN C=C(Cl)C[N@@H+]1C[C@@H](C(=O)[O-])[C@@H](c2ccccc2)C1 ZINC000846289278 632684871 /nfs/dbraw/zinc/68/48/71/632684871.db2.gz QNJGYWDMVFNANS-CHWSQXEVSA-N 0 1 265.740 2.539 20 30 CFEDMN Cc1cccc2nc([C@@H](C#N)C(=O)[C@@H]3CC34CC4)[nH]c21 ZINC000817717084 632691572 /nfs/dbraw/zinc/69/15/72/632691572.db2.gz MYBUEMNUPLECFF-QWRGUYRKSA-N 0 1 265.316 2.848 20 30 CFEDMN C=C(C)CONC(=O)[C@H]1CCCc2sccc21 ZINC000846536598 632724955 /nfs/dbraw/zinc/72/49/55/632724955.db2.gz RTYPWAGJFGWNSH-NSHDSACASA-N 0 1 251.351 2.792 20 30 CFEDMN C=C[C@@H](C)ONC(=O)Cc1csc(C(C)(C)C)n1 ZINC000846549115 632737203 /nfs/dbraw/zinc/73/72/03/632737203.db2.gz HWZUCYMYAKNNPS-SECBINFHSA-N 0 1 268.382 2.605 20 30 CFEDMN C#C[C@H]1CCCN(C[C@@H](O)c2ccc(Cl)c(F)c2)C1 ZINC000847021945 632886806 /nfs/dbraw/zinc/88/68/06/632886806.db2.gz QVCFBIKBNQURKK-XHDPSFHLSA-N 0 1 281.758 2.858 20 30 CFEDMN C#C[C@@H]1CCCN([C@@H](C)C(=O)N[C@H](C)c2ccccc2C)C1 ZINC000847021897 632887199 /nfs/dbraw/zinc/88/71/99/632887199.db2.gz CTFJDORSYDJBOM-IXDOHACOSA-N 0 1 298.430 2.906 20 30 CFEDMN C#C[C@@H]1CCCN(CC(=O)N[C@@H]2CCCc3ccccc32)C1 ZINC000847022373 632887242 /nfs/dbraw/zinc/88/72/42/632887242.db2.gz HBRNNESURVPTIL-CRAIPNDOSA-N 0 1 296.414 2.525 20 30 CFEDMN C#C[C@H]1CCCN([C@H](C(=O)N(CC)CC)c2ccccc2)C1 ZINC000847021670 632887817 /nfs/dbraw/zinc/88/78/17/632887817.db2.gz AIQPQOMMDPJZOW-WMZOPIPTSA-N 0 1 298.430 2.941 20 30 CFEDMN C#C[C@H]1CCCN(C[C@H](O)c2cccc(Cl)c2)C1 ZINC000847023917 632889324 /nfs/dbraw/zinc/88/93/24/632889324.db2.gz GJRPKKVATJWSLY-WFASDCNBSA-N 0 1 263.768 2.719 20 30 CFEDMN C#C[C@@H]1CCCN([C@H](C)C(=O)Nc2ccc(CC)cc2)C1 ZINC000847031770 632895634 /nfs/dbraw/zinc/89/56/34/632895634.db2.gz UTJFMXCDNKTJJG-GDBMZVCRSA-N 0 1 284.403 2.921 20 30 CFEDMN C[C@@H](O)C[N@@H+](Cc1cc(Cl)ccc1OCC#N)C1CC1 ZINC000847100541 632920780 /nfs/dbraw/zinc/92/07/80/632920780.db2.gz UAZALSIDTKIDAF-LLVKDONJSA-N 0 1 294.782 2.588 20 30 CFEDMN C[C@@H](O)CN(Cc1cc(Cl)ccc1OCC#N)C1CC1 ZINC000847100541 632920785 /nfs/dbraw/zinc/92/07/85/632920785.db2.gz UAZALSIDTKIDAF-LLVKDONJSA-N 0 1 294.782 2.588 20 30 CFEDMN C=C(Br)CNC[C@@H](O)[C@H](C)c1ccccc1 ZINC000818978884 632920959 /nfs/dbraw/zinc/92/09/59/632920959.db2.gz BAEDHMVNGMSIQJ-DGCLKSJQSA-N 0 1 284.197 2.649 20 30 CFEDMN C=C(C)[C@@H]1CC[C@@H](C)C[C@H]1OC(=O)CCc1nc[nH]n1 ZINC000847743425 633065788 /nfs/dbraw/zinc/06/57/88/633065788.db2.gz BDBUBPJBIVUYNK-FRRDWIJNSA-N 0 1 277.368 2.661 20 30 CFEDMN C#CCCC[C@@H](C)OC(=O)c1cccc(-c2nnc[nH]2)c1 ZINC000847867036 633117545 /nfs/dbraw/zinc/11/75/45/633117545.db2.gz UXBQSSGZLKNBGR-GFCCVEGCSA-N 0 1 283.331 2.821 20 30 CFEDMN C[C@H](COC(=O)c1cc(C#N)cs1)N1CCCCC1 ZINC000847960293 633167024 /nfs/dbraw/zinc/16/70/24/633167024.db2.gz MWOSBUKYKHZDKL-LLVKDONJSA-N 0 1 278.377 2.651 20 30 CFEDMN c1c(CN=Nc2cnnc3ccccc23)nn2c1CCCC2 ZINC000848406664 633250215 /nfs/dbraw/zinc/25/02/15/633250215.db2.gz POLXZRZIHFJYFT-UHFFFAOYSA-N 0 1 292.346 2.609 20 30 CFEDMN Cc1cc([N+](=O)[O-])ccc1N=NC1CCCn2ccnc21 ZINC000848411539 633252462 /nfs/dbraw/zinc/25/24/62/633252462.db2.gz RGALKZPPUPQVBV-UHFFFAOYSA-N 0 1 285.307 2.710 20 30 CFEDMN Cn1ncc(C2CC2)c1/C=C/C(=O)c1ccccc1O ZINC000849247468 633590037 /nfs/dbraw/zinc/59/00/37/633590037.db2.gz TZKJBHSKJDZDJE-CMDGGOBGSA-N 0 1 268.316 2.899 20 30 CFEDMN C#CC[C@H]1CCC[N@H+]([C@@H](C(=O)[O-])c2ccccc2F)C1 ZINC000849344288 633622873 /nfs/dbraw/zinc/62/28/73/633622873.db2.gz HSZAHHPBABSKOW-SWLSCSKDSA-N 0 1 275.323 2.687 20 30 CFEDMN C=C[C@](C)(CC)C(=O)O[C@@H](C)c1n[nH]c(CC)n1 ZINC000849762550 633708162 /nfs/dbraw/zinc/70/81/62/633708162.db2.gz MOZBVXDHJQEZCN-TVQRCGJNSA-N 0 1 251.330 2.574 20 30 CFEDMN CCCCCCCNC(=O)N[C@@H]1CCc2nc[nH]c2C1 ZINC000858113413 636130549 /nfs/dbraw/zinc/13/05/49/636130549.db2.gz IAQHHNXQQIFRJC-GFCCVEGCSA-N 0 1 278.400 2.537 20 30 CFEDMN C#Cc1cccc(CNCc2cc(C(F)(F)F)nn2C)c1 ZINC000850322341 633942139 /nfs/dbraw/zinc/94/21/39/633942139.db2.gz RQNRWAZQHBVXHM-UHFFFAOYSA-N 0 1 293.292 2.710 20 30 CFEDMN C=CCCSCCNCc1cn(-c2ccccc2)nn1 ZINC000850354638 633951890 /nfs/dbraw/zinc/95/18/90/633951890.db2.gz RJMNTUOQKQNDSI-UHFFFAOYSA-N 0 1 288.420 2.666 20 30 CFEDMN COc1ccc(CN[C@H]2C[C@@H](O)c3ccccc32)cc1C#N ZINC000850369872 633959711 /nfs/dbraw/zinc/95/97/11/633959711.db2.gz CBBXVFKNWBPXIQ-DLBZAZTESA-N 0 1 294.354 2.835 20 30 CFEDMN C=C[C@H](CO)[NH2+][C@H](CC)c1cc(Cl)ccc1[O-] ZINC000850573244 634058376 /nfs/dbraw/zinc/05/83/76/634058376.db2.gz XPOCATNOOWGUNF-ZYHUDNBSSA-N 0 1 255.745 2.633 20 30 CFEDMN N#CC(C(=O)[C@H]1[C@@H]2CCCCCC[C@@H]21)C(=O)N1CCCC1 ZINC000850752856 634079294 /nfs/dbraw/zinc/07/92/94/634079294.db2.gz UEHDXLIKADJBID-BARDWOONSA-N 0 1 288.391 2.534 20 30 CFEDMN N#CC(C(=O)NC1CCCC1)C(=O)[C@@H]1CCCC2(CC2)C1 ZINC000850767666 634083604 /nfs/dbraw/zinc/08/36/04/634083604.db2.gz FGGOKKHJRPYNCG-TZMCWYRMSA-N 0 1 288.391 2.724 20 30 CFEDMN C#CCN1CCC[C@H]1COC(=O)[C@H]1CCCC2(CC2)C1 ZINC000850825649 634103942 /nfs/dbraw/zinc/10/39/42/634103942.db2.gz DCVMEYFLYCHDLT-GJZGRUSLSA-N 0 1 275.392 2.598 20 30 CFEDMN Cc1cccc(CNC(=O)C(C#N)C(=O)[C@@H]2CCC2(C)C)c1 ZINC000850977029 634162985 /nfs/dbraw/zinc/16/29/85/634162985.db2.gz LRKKLUSCUXZRNP-CABCVRRESA-N 0 1 298.386 2.756 20 30 CFEDMN C[C@H](CC(C)(C)C#N)OC(=O)c1cccc(-c2nnc[nH]2)c1 ZINC000851205378 634269555 /nfs/dbraw/zinc/26/95/55/634269555.db2.gz YYDMABKVCNRKOF-LLVKDONJSA-N 0 1 298.346 2.957 20 30 CFEDMN C[C@@H](CC(C)(C)C#N)OC(=O)c1cccc(-c2nnc[nH]2)c1 ZINC000851205380 634270084 /nfs/dbraw/zinc/27/00/84/634270084.db2.gz YYDMABKVCNRKOF-NSHDSACASA-N 0 1 298.346 2.957 20 30 CFEDMN C=CC(C)(C)CCOC(=O)c1ccc([N+](=O)[O-])[nH]1 ZINC000851298947 634310522 /nfs/dbraw/zinc/31/05/22/634310522.db2.gz SSVZLUICQVWVLC-UHFFFAOYSA-N 0 1 252.270 2.682 20 30 CFEDMN C=C[C@H](OC(=O)CCCCc1cn[nH]n1)c1ccccc1 ZINC000851451804 634367813 /nfs/dbraw/zinc/36/78/13/634367813.db2.gz MGDAYCZYUAUMHZ-HNNXBMFYSA-N 0 1 285.347 2.988 20 30 CFEDMN CCOc1ccc(C=NNCCN2CCCCC2)c(C)c1 ZINC000853291674 634960907 /nfs/dbraw/zinc/96/09/07/634960907.db2.gz LWUAXPICUDAHCW-UHFFFAOYSA-N 0 1 289.423 2.803 20 30 CFEDMN Cc1ccnc(N=NCc2cc(C(F)(F)F)nn2C)c1 ZINC000853316875 634966407 /nfs/dbraw/zinc/96/64/07/634966407.db2.gz GZFZUFRKORLAER-UHFFFAOYSA-N 0 1 283.257 2.588 20 30 CFEDMN FC(F)(F)CCON=Cc1ccnn1-c1ccncc1 ZINC000853336223 634974423 /nfs/dbraw/zinc/97/44/23/634974423.db2.gz SGLYQUPCDJYJNJ-UHFFFAOYSA-N 0 1 284.241 2.570 20 30 CFEDMN CCCOc1ccc(CN=Nc2nccn2C)c(C)c1 ZINC000853340465 634975909 /nfs/dbraw/zinc/97/59/09/634975909.db2.gz YUXRPWQQIJGJFP-UHFFFAOYSA-N 0 1 272.352 2.963 20 30 CFEDMN OC1CCN(c2ccc(C=NOC/C=C/Cl)cc2)CC1 ZINC000853347667 634979014 /nfs/dbraw/zinc/97/90/14/634979014.db2.gz NMTRBNCXKRIYLM-BOBSQETCSA-N 0 1 294.782 2.751 20 30 CFEDMN Cn1ncc(C2CC2)c1C=NNc1cccc(Cl)n1 ZINC000853350542 634980668 /nfs/dbraw/zinc/98/06/68/634980668.db2.gz UFGCFBIOIZDQEI-UHFFFAOYSA-N 0 1 275.743 2.792 20 30 CFEDMN CCN(C)c1ccc(C=NN2CCCC[C@H]2C)cn1 ZINC000853379639 634987576 /nfs/dbraw/zinc/98/75/76/634987576.db2.gz KVBQTDBANAGBPC-CYBMUJFWSA-N 0 1 260.385 2.746 20 30 CFEDMN C[C@H]1CCCCN1N=C1CCCc2nc(N)ccc21 ZINC000853382183 634988824 /nfs/dbraw/zinc/98/88/24/634988824.db2.gz VBFCMONJRLGENK-NSHDSACASA-N 0 1 258.369 2.579 20 30 CFEDMN C[C@@H]1CCCCN1N=Cc1cc(C(F)(F)F)n[nH]1 ZINC000853381577 634989025 /nfs/dbraw/zinc/98/90/25/634989025.db2.gz GVDCIOWZFJHAIP-MRVPVSSYSA-N 0 1 260.263 2.637 20 30 CFEDMN C[C@H]1CC(N=Nc2ccc([N+](=O)[O-])cc2F)CN1C1CC1 ZINC000853396236 634993203 /nfs/dbraw/zinc/99/32/03/634993203.db2.gz BICUMENENFBWKK-VIFPVBQESA-N 0 1 292.314 2.758 20 30 CFEDMN C[C@@H]1CC(N=Nc2ccc(Cl)cn2)CN1C1CC1 ZINC000853437712 634999343 /nfs/dbraw/zinc/99/93/43/634999343.db2.gz SEBPBJYFMFNOCE-SECBINFHSA-N 0 1 264.760 2.760 20 30 CFEDMN N#Cc1ccc(-c2ccn(CN3CC[C@@H]4C[C@@H]4C3)n2)cc1 ZINC000853581478 635042500 /nfs/dbraw/zinc/04/25/00/635042500.db2.gz VOCBVRGSYGEWPU-HZPDHXFCSA-N 0 1 278.359 2.721 20 30 CFEDMN C=C1C[C@H]2CC[C@@H](C1)N2CN1C[C@@H](c2ccccn2)CC1=O ZINC000853598467 635046074 /nfs/dbraw/zinc/04/60/74/635046074.db2.gz RPGHXBJAXLUFTI-HRCADAONSA-N 0 1 297.402 2.538 20 30 CFEDMN C=C(Cl)CON=Cc1ccc(N2CCOCC2)cc1 ZINC000853642599 635058013 /nfs/dbraw/zinc/05/80/13/635058013.db2.gz JLUFDUQXVOGBEP-UHFFFAOYSA-N 0 1 280.755 2.626 20 30 CFEDMN C=C(Cl)CON=C(N)CN1[C@@H](C)CCC[C@@H]1C ZINC000853699550 635079596 /nfs/dbraw/zinc/07/95/96/635079596.db2.gz IAHYXYBWUMAVIT-QWRGUYRKSA-N 0 1 259.781 2.500 20 30 CFEDMN C#CCOCCOc1ccc(CN2CCCC2)c(Cl)c1 ZINC000853726255 635086400 /nfs/dbraw/zinc/08/64/00/635086400.db2.gz HQQFAPMGUGPQMN-UHFFFAOYSA-N 0 1 293.794 2.964 20 30 CFEDMN C[C@H](CC#N)C(=O)NCc1cc(Cl)cc(Cl)c1O ZINC000854474777 635312339 /nfs/dbraw/zinc/31/23/39/635312339.db2.gz NWNLAOWHZVAPIG-SSDOTTSWSA-N 0 1 287.146 2.865 20 30 CFEDMN CCC(=O)c1ccc(O)c(NC(=O)C#CC(C)C)c1 ZINC000854576752 635339586 /nfs/dbraw/zinc/33/95/86/635339586.db2.gz VCXRNSJDKMDZRM-UHFFFAOYSA-N 0 1 259.305 2.583 20 30 CFEDMN C=CCCONC(=O)[C@H](C)c1c(F)cccc1F ZINC000856034543 635710073 /nfs/dbraw/zinc/71/00/73/635710073.db2.gz PMUALVDVWLWHJY-SECBINFHSA-N 0 1 255.264 2.692 20 30 CFEDMN C[C@H](CC1CCCC1)C(=O)C(C#N)C(=O)NC1CCCC1 ZINC000114618530 635866081 /nfs/dbraw/zinc/86/60/81/635866081.db2.gz GZTLBLBLLDIDIQ-DOMZBBRYSA-N 0 1 290.407 2.970 20 30 CFEDMN CCCC[C@@H](C(=O)[C@@H](C#N)C(=O)NC(C)C)C(C)C ZINC000857010057 635904696 /nfs/dbraw/zinc/90/46/96/635904696.db2.gz CJUIVUVUQKWKKY-CHWSQXEVSA-N 0 1 266.385 2.682 20 30 CFEDMN CC(C)N1CC(N=Nc2nc3cccnc3s2)[C@H](C)C1 ZINC000857218810 635948973 /nfs/dbraw/zinc/94/89/73/635948973.db2.gz QZOUUTLUJCWWDY-SNVBAGLBSA-N 0 1 289.408 2.819 20 30 CFEDMN N#CCc1ccc(CN[C@H]2CCCc3c[nH]nc32)cc1 ZINC000857873570 636044513 /nfs/dbraw/zinc/04/45/13/636044513.db2.gz ZPTNFXRMHQJSDH-HNNXBMFYSA-N 0 1 266.348 2.643 20 30 CFEDMN C#Cc1ccc(CNC2(c3cc(C)no3)CCOCC2)cc1 ZINC000858326062 636190696 /nfs/dbraw/zinc/19/06/96/636190696.db2.gz FGEOALOJWCZGCL-UHFFFAOYSA-N 0 1 296.370 2.760 20 30 CFEDMN C#CC[C@H](COC)NCc1cc(C(F)(F)F)ccc1F ZINC000858334700 636195532 /nfs/dbraw/zinc/19/55/32/636195532.db2.gz FVQTUKNDGTXMBF-GFCCVEGCSA-N 0 1 289.272 2.972 20 30 CFEDMN C=CCCCCC[C@@H](C)NCc1cnn(CC)n1 ZINC000858443201 636241800 /nfs/dbraw/zinc/24/18/00/636241800.db2.gz BNIWIPCTDXLYJV-CYBMUJFWSA-N 0 1 250.390 2.913 20 30 CFEDMN Cc1ccc(COC(=O)CN2[C@@H](C)CC[C@@H]2C)cc1C#N ZINC000859664049 636643544 /nfs/dbraw/zinc/64/35/44/636643544.db2.gz WXYRISCPLPWYNU-KBPBESRZSA-N 0 1 286.375 2.783 20 30 CFEDMN CCCCCCCNC(c1ccnn1C)c1ccnn1C ZINC000860079457 636782345 /nfs/dbraw/zinc/78/23/45/636782345.db2.gz MVNAGULCIIHCBV-UHFFFAOYSA-N 0 1 289.427 2.803 20 30 CFEDMN CCC(C#N)(CC)C(=O)Nc1cc(C#N)ccc1O ZINC000860445383 636886956 /nfs/dbraw/zinc/88/69/56/636886956.db2.gz RZQIFZBMWMCGAZ-UHFFFAOYSA-N 0 1 257.293 2.532 20 30 CFEDMN CCCCCCNC(=O)[C@@H](C#N)C(=O)[C@@H]1CCCC12CC2 ZINC000860463894 636890753 /nfs/dbraw/zinc/89/07/53/636890753.db2.gz JSIPPALXTCNTQK-KBPBESRZSA-N 0 1 290.407 2.972 20 30 CFEDMN N#CC(C(=O)[C@@H]1C[C@H]1c1ccco1)c1ccccn1 ZINC000860467533 636892291 /nfs/dbraw/zinc/89/22/91/636892291.db2.gz LECRSFRNNGTGNV-UTUOFQBUSA-N 0 1 252.273 2.655 20 30 CFEDMN N#CC(C(=O)Nc1ccccc1Cl)C(=O)C12CC(C1)C2 ZINC000860468475 636892452 /nfs/dbraw/zinc/89/24/52/636892452.db2.gz CPMBYOAQLAGDOU-VOZQYIJBSA-N 0 1 288.734 2.787 20 30 CFEDMN CSCCCCCCC(=O)C(C#N)C(=O)NC(C)C ZINC000860473302 636892549 /nfs/dbraw/zinc/89/25/49/636892549.db2.gz KXNSBWBYSAWDRM-GFCCVEGCSA-N 0 1 284.425 2.533 20 30 CFEDMN CC(C)NC(=O)C(C#N)C(=O)[C@@H]1CC[C@@H](c2ccccc2)C1 ZINC000860473129 636892673 /nfs/dbraw/zinc/89/26/73/636892673.db2.gz STVWOCQXLXWKQQ-OAGGEKHMSA-N 0 1 298.386 2.804 20 30 CFEDMN CCc1nocc1C(=O)C(C#N)C(=O)Nc1cccc(C)c1 ZINC000860467500 636892790 /nfs/dbraw/zinc/89/27/90/636892790.db2.gz CGJSAZRAJJXMNN-GFCCVEGCSA-N 0 1 297.314 2.507 20 30 CFEDMN CCO[C@@H](C(=O)[C@H](C#N)c1nc2cccc(C)c2[nH]1)C1CC1 ZINC000860555899 636909916 /nfs/dbraw/zinc/90/99/16/636909916.db2.gz LGGXGBURBPGTMW-BLLLJJGKSA-N 0 1 297.358 2.863 20 30 CFEDMN CCC(C#N)(CC)C(=O)OC[C@H]1CC[N@H+]1C(C)(C)C ZINC000860852010 636990561 /nfs/dbraw/zinc/99/05/61/636990561.db2.gz MDFYIVZOZKCAIJ-GFCCVEGCSA-N 0 1 266.385 2.732 20 30 CFEDMN C#CCCCN[C@H](c1ncc[nH]1)c1ccc(F)cc1 ZINC000188087283 650314838 /nfs/dbraw/zinc/31/48/38/650314838.db2.gz MHOYYEKCCJQAJR-AWEZNQCLSA-N 0 1 257.312 2.641 20 30 CFEDMN COc1ccc(CNCc2ccnc(F)c2C)cc1C#N ZINC000862290893 637314779 /nfs/dbraw/zinc/31/47/79/637314779.db2.gz GONIMMUHQDODCE-UHFFFAOYSA-N 0 1 285.322 2.699 20 30 CFEDMN CCCCCCCNC(=O)[C@H]1CCc2[nH]cnc2C1 ZINC000862355326 637329120 /nfs/dbraw/zinc/32/91/20/637329120.db2.gz ICTVUMUMTPSUNE-LBPRGKRZSA-N 0 1 263.385 2.601 20 30 CFEDMN C=CCN1CC[C@H](NC(=O)CC2CCCCCC2)C1 ZINC001015764525 651213406 /nfs/dbraw/zinc/21/34/06/651213406.db2.gz ZPNNXVLOPDCUFL-HNNXBMFYSA-N 0 1 264.413 2.723 20 30 CFEDMN C#CC[C@H]1CCN(Cc2cn3cc(Cl)ccc3n2)C1 ZINC000862444758 637385845 /nfs/dbraw/zinc/38/58/45/637385845.db2.gz GSNFEZFNRHQDFR-LBPRGKRZSA-N 0 1 273.767 2.833 20 30 CFEDMN C#CC[C@H]1CCN(Cc2cc(C)c(Br)cn2)C1 ZINC000862447558 637388154 /nfs/dbraw/zinc/38/81/54/637388154.db2.gz OAUXUCWGFRWSPY-LBPRGKRZSA-N 0 1 293.208 2.998 20 30 CFEDMN N#Cc1ccc(CN2CCC[C@](O)(c3ccccc3)C2)o1 ZINC000862483409 637398783 /nfs/dbraw/zinc/39/87/83/637398783.db2.gz SWLHOCCAVTVPJB-QGZVFWFLSA-N 0 1 282.343 2.635 20 30 CFEDMN C#CC[C@@H]1CCN(C(=O)c2cc(-c3ccc(C)cc3)[nH]n2)C1 ZINC000862562474 637429653 /nfs/dbraw/zinc/42/96/53/637429653.db2.gz JORRDHCIAWEDEN-CQSZACIVSA-N 0 1 293.370 2.871 20 30 CFEDMN FC(F)(F)c1ccc(N=NC2C[N@H+]3C[C@@H]2CCC3)nc1 ZINC000863068227 637548317 /nfs/dbraw/zinc/54/83/17/637548317.db2.gz CGDWZTVOYIBCFF-VIFPVBQESA-N 0 1 284.285 2.594 20 30 CFEDMN FC(F)(F)c1ccc(N=NC2CN3C[C@@H]2CCC3)nc1 ZINC000863068227 637548321 /nfs/dbraw/zinc/54/83/21/637548321.db2.gz CGDWZTVOYIBCFF-VIFPVBQESA-N 0 1 284.285 2.594 20 30 CFEDMN C[C@@H]1CN(C)CC1N=Nc1nc2ccccc2[nH]c1=S ZINC000863128672 637567121 /nfs/dbraw/zinc/56/71/21/637567121.db2.gz OOXSNOMWEFFVSK-SECBINFHSA-N 0 1 287.392 2.642 20 30 CFEDMN Cc1cnccc1NN=Cc1c(Cl)n(C)nc1C(C)C ZINC000863156975 637570726 /nfs/dbraw/zinc/57/07/26/637570726.db2.gz FMOYOCRXSDEIOC-UHFFFAOYSA-N 0 1 291.786 2.768 20 30 CFEDMN C[C@H]1CC(N=Nc2cccc(F)c2Cl)c2ncnn21 ZINC000863158715 637572420 /nfs/dbraw/zinc/57/24/20/637572420.db2.gz MYWXCUJRRIALEY-ZETCQYMHSA-N 0 1 279.706 2.852 20 30 CFEDMN Cc1cccc(N=NC(C)c2cnc(C)nc2C)n1 ZINC000863160333 637574665 /nfs/dbraw/zinc/57/46/65/637574665.db2.gz ZSVMNKNDWQZXNT-UHFFFAOYSA-N 0 1 255.325 2.633 20 30 CFEDMN Cc1cccc(NN=C2CCCc3scnc32)n1 ZINC000863160663 637575694 /nfs/dbraw/zinc/57/56/94/637575694.db2.gz NWNGGAWEXVCELH-UHFFFAOYSA-N 0 1 258.350 2.999 20 30 CFEDMN Cc1cccc([N-]N=C2CCCc3scnc32)[nH+]1 ZINC000863160663 637575701 /nfs/dbraw/zinc/57/57/01/637575701.db2.gz NWNGGAWEXVCELH-UHFFFAOYSA-N 0 1 258.350 2.999 20 30 CFEDMN C[C@H]1CC(N=Nc2ccc(F)c(Cl)c2)C[N@H+]1C ZINC000863179028 637579562 /nfs/dbraw/zinc/57/95/62/637579562.db2.gz NVYAWBSABPMWDD-QMMMGPOBSA-N 0 1 255.724 2.971 20 30 CFEDMN Cn1c2ccccc2nc1C(C#N)C(=O)C[C@H]1CCCCO1 ZINC000119834318 637852717 /nfs/dbraw/zinc/85/27/17/637852717.db2.gz DFMJSUKNTMEYBK-CHWSQXEVSA-N 0 1 297.358 2.709 20 30 CFEDMN CCN(C[C@@H](C)C#N)C(=O)c1c(Cl)[nH]nc1C1CC1 ZINC000864904485 638120873 /nfs/dbraw/zinc/12/08/73/638120873.db2.gz HBVCSJJOOXNONH-QMMMGPOBSA-N 0 1 280.759 2.562 20 30 CFEDMN C#CCN1CCC(N(C)C(=O)c2ccc(C3CC3)cc2)CC1 ZINC001006436412 650404420 /nfs/dbraw/zinc/40/44/20/650404420.db2.gz XISWLSROEFOIMC-UHFFFAOYSA-N 0 1 296.414 2.734 20 30 CFEDMN C[C@@H](C#N)Oc1ccc(CNc2ccc3nn[nH]c3c2)cc1 ZINC000120479423 638249659 /nfs/dbraw/zinc/24/96/59/638249659.db2.gz SKIDJDOLQVPHHO-NSHDSACASA-N 0 1 293.330 2.861 20 30 CFEDMN C[C@@H](C#N)Oc1ccc(CNc2ccc3n[nH]nc3c2)cc1 ZINC000120479423 638249663 /nfs/dbraw/zinc/24/96/63/638249663.db2.gz SKIDJDOLQVPHHO-NSHDSACASA-N 0 1 293.330 2.861 20 30 CFEDMN C=CCCOCCNc1ccncc1C(F)(F)F ZINC000865642180 638483356 /nfs/dbraw/zinc/48/33/56/638483356.db2.gz CUZOPQFCPWQJOB-UHFFFAOYSA-N 0 1 260.259 2.527 20 30 CFEDMN CCC(CC)CN(CCC#N)CC[C@H]1CCOC1=O ZINC000120731401 638569682 /nfs/dbraw/zinc/56/96/82/638569682.db2.gz UIDKKYICPVCJIJ-AWEZNQCLSA-N 0 1 266.385 2.591 20 30 CFEDMN CCN1CCN(c2cc(C(F)(F)F)cc(C#N)n2)[C@@H](C)C1 ZINC000865797944 638578571 /nfs/dbraw/zinc/57/85/71/638578571.db2.gz PRMCVCBTGOOZJF-JTQLQIEISA-N 0 1 298.312 2.502 20 30 CFEDMN C[C@@H](N[C@@H](C)c1cccc(C#N)c1O)C(F)(F)F ZINC000866358537 638803400 /nfs/dbraw/zinc/80/34/00/638803400.db2.gz JKWLUMXOFNUNGW-JGVFFNPUSA-N 0 1 258.243 2.865 20 30 CFEDMN C=C[C@@H]1OCC[C@H]1CN[C@H]1c2ccccc2OC[C@H]1F ZINC000866379767 638810067 /nfs/dbraw/zinc/81/00/67/638810067.db2.gz TVHYTNUFHOLJNY-AEIGPULVSA-N 0 1 277.339 2.639 20 30 CFEDMN Cn1cc(C(F)F)c(CN[C@H]2CCC[C@H](C#N)C2)n1 ZINC000866565744 638846652 /nfs/dbraw/zinc/84/66/52/638846652.db2.gz QCWUWUIQYOBDST-UWVGGRQHSA-N 0 1 268.311 2.530 20 30 CFEDMN C[C@@H](N[C@H]1CCc2ccc(C#N)cc21)c1ccnn1C ZINC000866616135 638855518 /nfs/dbraw/zinc/85/55/18/638855518.db2.gz YVZJUFJRXWDCIK-ABAIWWIYSA-N 0 1 266.348 2.630 20 30 CFEDMN C=CCCC(C)(C)CNC(=O)NCc1cc(CC)[nH]n1 ZINC000868290781 638934770 /nfs/dbraw/zinc/93/47/70/638934770.db2.gz XKWVEWGSHGSYGJ-UHFFFAOYSA-N 0 1 278.400 2.764 20 30 CFEDMN C=C(C)CONC(=O)[C@@H]1Cc2ccc(Cl)cc21 ZINC000869153838 639050280 /nfs/dbraw/zinc/05/02/80/639050280.db2.gz XMGLZMQAVXLLQA-GFCCVEGCSA-N 0 1 251.713 2.604 20 30 CFEDMN C#CCN1CCC(N(C)C(=O)C2C[C@H](C)C[C@@H](C)C2)CC1 ZINC001006452350 650466697 /nfs/dbraw/zinc/46/66/97/650466697.db2.gz SKESAQOOEBXCMH-HUUCEWRRSA-N 0 1 290.451 2.615 20 30 CFEDMN CC#CCCCC(=O)N1CC2(CN(Cc3ccccc3)C2)C1 ZINC000869815676 639419638 /nfs/dbraw/zinc/41/96/38/639419638.db2.gz RUJZIEZRFKNBLC-UHFFFAOYSA-N 0 1 296.414 2.524 20 30 CFEDMN C[C@@H]1C[C@@H]1[C@@H]1C[C@H]1C(=O)C(C#N)C(=O)Nc1ccccc1 ZINC000870137643 639527934 /nfs/dbraw/zinc/52/79/34/639527934.db2.gz YYHPAPZAGKDEDL-NZNQWUEYSA-N 0 1 282.343 2.626 20 30 CFEDMN CCc1ccc(NC(=O)C(C#N)C(=O)c2nocc2C)cc1 ZINC000870139840 639529421 /nfs/dbraw/zinc/52/94/21/639529421.db2.gz RMKSRHKKRHEJOU-CYBMUJFWSA-N 0 1 297.314 2.507 20 30 CFEDMN C[C@H]1CCC[C@@]1(C)C(=O)NOc1cccc(C#N)c1 ZINC000870689745 639772625 /nfs/dbraw/zinc/77/26/25/639772625.db2.gz AURYCSNTINSYIM-XHDPSFHLSA-N 0 1 258.321 2.795 20 30 CFEDMN C#Cc1cccc(NC(=O)c2ccc(F)cc2O)c1 ZINC000123313646 639808580 /nfs/dbraw/zinc/80/85/80/639808580.db2.gz TZWFEJSLPWOABZ-UHFFFAOYSA-N 0 1 255.248 2.765 20 30 CFEDMN CO[C@H]1CCC[C@@H](C(=O)Nc2nc3ccc(C#N)cc3[nH]2)C1 ZINC000871073050 641186136 /nfs/dbraw/zinc/18/61/36/641186136.db2.gz QUOFQIDSHNNILE-NEPJUHHUSA-N 0 1 298.346 2.578 20 30 CFEDMN C[C@]1(C(=O)Nc2nc3ccc(C#N)cc3[nH]2)C[C@H]2C[C@H]2C1 ZINC000871072741 641186484 /nfs/dbraw/zinc/18/64/84/641186484.db2.gz PADUDFQBQGLIMA-CDMJZVDBSA-N 0 1 280.331 2.809 20 30 CFEDMN CO[C@@H]1CCC[C@H](C(=O)Nc2nc3ccc(C#N)cc3[nH]2)C1 ZINC000871073051 641186573 /nfs/dbraw/zinc/18/65/73/641186573.db2.gz QUOFQIDSHNNILE-NWDGAFQWSA-N 0 1 298.346 2.578 20 30 CFEDMN CO[C@H]1CCC[C@H](C(=O)Nc2nc3ccc(C#N)cc3[nH]2)C1 ZINC000871073052 641186976 /nfs/dbraw/zinc/18/69/76/641186976.db2.gz QUOFQIDSHNNILE-RYUDHWBXSA-N 0 1 298.346 2.578 20 30 CFEDMN CC1(C)CC[C@H]1C(=O)Nc1nc2ccc(C#N)cc2[nH]1 ZINC000871073363 641188212 /nfs/dbraw/zinc/18/82/12/641188212.db2.gz ZBQKSFLUJYDPJE-JTQLQIEISA-N 0 1 268.320 2.809 20 30 CFEDMN C[C@@H]1C[C@H]1C(=O)C(C#N)C(=O)Nc1ccc(Cl)cc1 ZINC000193399012 650651088 /nfs/dbraw/zinc/65/10/88/650651088.db2.gz CZISPGHDONARJA-GGZOMVNGSA-N 0 1 276.723 2.643 20 30 CFEDMN C=C(C)CNc1cc(F)cc(CNC(=O)C(F)(F)F)c1 ZINC000871848676 641479834 /nfs/dbraw/zinc/47/98/34/641479834.db2.gz QNPFCQHTHXOFDB-UHFFFAOYSA-N 0 1 290.260 2.992 20 30 CFEDMN C#C[C@@H](CC)N[C@@H](CC)C(=O)Nc1ccc(C)cc1 ZINC000871883130 641498983 /nfs/dbraw/zinc/49/89/83/641498983.db2.gz CWCDRQRWQCMUJE-ZFWWWQNUSA-N 0 1 258.365 2.714 20 30 CFEDMN C=CC(C)(C)CCCN[C@@H](C(N)=O)c1ccc(C#N)cc1 ZINC000871929827 641514515 /nfs/dbraw/zinc/51/45/15/641514515.db2.gz BRYWPZOCNKHDSO-OAHLLOKOSA-N 0 1 285.391 2.667 20 30 CFEDMN C[C@@H]1CCC2=NN(c3cc(C#N)cc(Cl)n3)C(=O)[C@@H]2C1 ZINC000871954518 641527274 /nfs/dbraw/zinc/52/72/74/641527274.db2.gz KGOTWTQPFFJXGT-PSASIEDQSA-N 0 1 288.738 2.745 20 30 CFEDMN N#Cc1cc(Cl)nc(N2N=C3CCCCC[C@@H]3C2=O)c1 ZINC000871954408 641527481 /nfs/dbraw/zinc/52/74/81/641527481.db2.gz JWEYUEBLAZSNIK-JTQLQIEISA-N 0 1 288.738 2.890 20 30 CFEDMN Cc1[nH]n([C@@H]2CCOC3(CCCC3)C2)c(=O)c1CCC#N ZINC000871964017 641534939 /nfs/dbraw/zinc/53/49/39/641534939.db2.gz NXQJNKNARJJRRU-ZIAGYGMSSA-N 0 1 289.379 2.616 20 30 CFEDMN C#C[C@H]1CC[C@H](N[C@@H](c2ncc[nH]2)c2cccnc2)CC1 ZINC000872139590 641666998 /nfs/dbraw/zinc/66/69/98/641666998.db2.gz MKMJKXHFEYMFOP-FVQBIDKESA-N 0 1 280.375 2.676 20 30 CFEDMN CSCCCCC(=O)C(C#N)C(=O)NC1CCCCC1 ZINC000123977979 641698100 /nfs/dbraw/zinc/69/81/00/641698100.db2.gz UILFOVRZQFZQPS-CYBMUJFWSA-N 0 1 296.436 2.677 20 30 CFEDMN CC[C@H](NC[C@@H](C#N)CCC#N)[C@H](O)c1ccccc1 ZINC000872252607 641719560 /nfs/dbraw/zinc/71/95/60/641719560.db2.gz UCKULXXKUVSYFO-VNQPRFMTSA-N 0 1 271.364 2.532 20 30 CFEDMN C#Cc1cccc(NS(=O)(=O)c2ccc(Cl)nc2)c1 ZINC000019422970 641748379 /nfs/dbraw/zinc/74/83/79/641748379.db2.gz HNXNRCPUFXDFPD-UHFFFAOYSA-N 0 1 292.747 2.517 20 30 CFEDMN CCCn1cc(CN=Nc2cccc(Cl)c2F)nn1 ZINC000872345792 641761641 /nfs/dbraw/zinc/76/16/41/641761641.db2.gz YPRFCIKOAKQTML-UHFFFAOYSA-N 0 1 281.722 2.927 20 30 CFEDMN Fc1ccc(CON=C2CCC[N@H+]3CCSC[C@H]23)cc1 ZINC000872365582 641771496 /nfs/dbraw/zinc/77/14/96/641771496.db2.gz YHPVHQWLTGCSHU-OAHLLOKOSA-N 0 1 294.395 2.910 20 30 CFEDMN Fc1ccc(CON=C2CCCN3CCSC[C@H]23)cc1 ZINC000872365582 641771500 /nfs/dbraw/zinc/77/15/00/641771500.db2.gz YHPVHQWLTGCSHU-OAHLLOKOSA-N 0 1 294.395 2.910 20 30 CFEDMN C[C@@H](NN=Cc1ccc(F)c(F)c1O)C(F)(F)F ZINC000872379969 641783115 /nfs/dbraw/zinc/78/31/15/641783115.db2.gz AHAINXAROQZZGK-RXMQYKEDSA-N 0 1 268.185 2.545 20 30 CFEDMN CCCn1cc(CN=Nc2cc(Cl)ccc2F)nn1 ZINC000872418245 641803667 /nfs/dbraw/zinc/80/36/67/641803667.db2.gz HLAWHCUSDJGMPP-UHFFFAOYSA-N 0 1 281.722 2.927 20 30 CFEDMN COc1ccc(C)cc1C(C)N=Nc1cc(C)nc(N)n1 ZINC000872420034 641804811 /nfs/dbraw/zinc/80/48/11/641804811.db2.gz GATAYOYMSWMIRT-UHFFFAOYSA-N 0 1 285.351 2.520 20 30 CFEDMN CCCCSCCC(=O)C(C#N)C(=O)NC1CCCC1 ZINC000124153918 641859830 /nfs/dbraw/zinc/85/98/30/641859830.db2.gz UWIMKDZORCVQKR-CYBMUJFWSA-N 0 1 296.436 2.677 20 30 CFEDMN COc1cc(CN(C)[C@H]2CCC[C@@H]2C#N)c(O)cc1C ZINC000872685430 641896100 /nfs/dbraw/zinc/89/61/00/641896100.db2.gz ZEGSEEIJGICQHF-OCCSQVGLSA-N 0 1 274.364 2.833 20 30 CFEDMN C#CC[C@H](NCc1ccc(C(=O)OC)n1C)c1ccccc1 ZINC000873098685 642013142 /nfs/dbraw/zinc/01/31/42/642013142.db2.gz UHHJSCKYTJLRLQ-INIZCTEOSA-N 0 1 296.370 2.666 20 30 CFEDMN Cc1n[nH]c(C(C)C)c1C(=O)OCc1ccc(C#N)o1 ZINC000873380097 642168231 /nfs/dbraw/zinc/16/82/31/642168231.db2.gz JAUSZOIHPJLSKY-UHFFFAOYSA-N 0 1 273.292 2.663 20 30 CFEDMN C#C[C@H]1CC[C@H](NC(=O)c2[nH]nc3c2CCCCC3)CC1 ZINC000874862583 642534423 /nfs/dbraw/zinc/53/44/23/642534423.db2.gz NCXWGKXAKJVIFM-JOCQHMNTSA-N 0 1 285.391 2.600 20 30 CFEDMN CCOC(=O)N1CCC(C)(CN(CCC#N)C(C)C)CC1 ZINC000876610664 642943746 /nfs/dbraw/zinc/94/37/46/642943746.db2.gz HIDWBWFIMRHGSK-UHFFFAOYSA-N 0 1 295.427 2.869 20 30 CFEDMN CCCCCCCCCN(C)C(=O)c1cnc(CN)nc1 ZINC000876616642 642947074 /nfs/dbraw/zinc/94/70/74/642947074.db2.gz QSKFXTRUJNWSLR-UHFFFAOYSA-N 0 1 292.427 2.758 20 30 CFEDMN C[C@H](CCC#N)CN1CCN(C(=O)OC(C)(C)C)[C@@H](C)C1 ZINC000876724164 642985010 /nfs/dbraw/zinc/98/50/10/642985010.db2.gz PDYUVHHMCNGORI-KGLIPLIRSA-N 0 1 295.427 2.867 20 30 CFEDMN C=C(Br)CNC[C@@H](Cc1ccccc1)OC ZINC000877020525 643107160 /nfs/dbraw/zinc/10/71/60/643107160.db2.gz WQLDYVKCTGZSEA-CYBMUJFWSA-N 0 1 284.197 2.742 20 30 CFEDMN CCC[C@@]1(NCc2cc(C#N)cnc2Cl)CCOC1 ZINC000877516467 643321398 /nfs/dbraw/zinc/32/13/98/643321398.db2.gz AHIIIFAJJNHIDC-CQSZACIVSA-N 0 1 279.771 2.655 20 30 CFEDMN C#CCCCCCCNCc1nn(C)cc1Br ZINC000877564866 643363953 /nfs/dbraw/zinc/36/39/53/643363953.db2.gz NNLLRJGUPWGHEL-UHFFFAOYSA-N 0 1 298.228 2.856 20 30 CFEDMN CCO[C@@H]1CCC[C@H]1NCc1cc(C#N)cnc1Cl ZINC000877574091 643373086 /nfs/dbraw/zinc/37/30/86/643373086.db2.gz AMINRFKFCVLNEM-CHWSQXEVSA-N 0 1 279.771 2.654 20 30 CFEDMN N#Cc1cccc(CN2CCC[C@@]3(CC3(F)F)C2)n1 ZINC000877615254 643400516 /nfs/dbraw/zinc/40/05/16/643400516.db2.gz SRFHFYKREADIAU-CYBMUJFWSA-N 0 1 263.291 2.574 20 30 CFEDMN C#CC[C@@H]1CCN(Cc2nc3cc(F)ccc3o2)C1 ZINC000877650705 643431913 /nfs/dbraw/zinc/43/19/13/643431913.db2.gz UESYLHUCURBDKL-LLVKDONJSA-N 0 1 258.296 2.812 20 30 CFEDMN COc1ncc(CN(C)CCc2cccc(C#N)c2)s1 ZINC000877705051 643472153 /nfs/dbraw/zinc/47/21/53/643472153.db2.gz QNTLETPVIHTHDJ-UHFFFAOYSA-N 0 1 287.388 2.698 20 30 CFEDMN C=CC[C@@H](C(=O)OC)N(CCC)Cc1ccccc1O ZINC000878151123 643762442 /nfs/dbraw/zinc/76/24/42/643762442.db2.gz LZKVFQZGGBKBRI-AWEZNQCLSA-N 0 1 277.364 2.722 20 30 CFEDMN C=CC[C@@H](C)N1CCN(CC(F)(F)F)[C@H](C)C1 ZINC000878324253 643840786 /nfs/dbraw/zinc/84/07/86/643840786.db2.gz JERHTKZCZFTQKI-GHMZBOCLSA-N 0 1 250.308 2.519 20 30 CFEDMN C=CCCC[C@H](C(=O)NCc1nnc[nH]1)c1ccccc1 ZINC000878357213 643857153 /nfs/dbraw/zinc/85/71/53/643857153.db2.gz GELLNQFDYBBENC-AWEZNQCLSA-N 0 1 284.363 2.561 20 30 CFEDMN C=C(C)CN(C)CC[C@@](C#N)(C(C)=O)c1ccccc1 ZINC000878383634 643867547 /nfs/dbraw/zinc/86/75/47/643867547.db2.gz UTSYDWWYDGHTJX-QGZVFWFLSA-N 0 1 270.376 2.935 20 30 CFEDMN C=CC[C@@H](C)[N@@H+](C)Cc1nc(=O)c2sccc2[n-]1 ZINC000878441466 643896779 /nfs/dbraw/zinc/89/67/79/643896779.db2.gz AENRTFHCDGYPBS-SECBINFHSA-N 0 1 263.366 2.793 20 30 CFEDMN CCCCCNC(=O)C(C#N)C(=O)[C@H]1CCC[C@@H](C)C1 ZINC000246626707 650877406 /nfs/dbraw/zinc/87/74/06/650877406.db2.gz UDNIJELLWGPOSH-HZSPNIEDSA-N 0 1 278.396 2.828 20 30 CFEDMN Cc1nsc(N2CCN(CCCC3CC3)CC2)c1C#N ZINC000878629127 643964354 /nfs/dbraw/zinc/96/43/54/643964354.db2.gz BQMDMNBBNFJLTN-UHFFFAOYSA-N 0 1 290.436 2.635 20 30 CFEDMN C=CCc1cc(OC)cc(CN2C[C@H](C)OC[C@@H]2C)c1O ZINC000246725432 650880606 /nfs/dbraw/zinc/88/06/06/650880606.db2.gz NTEMIHIAWOEURC-STQMWFEESA-N 0 1 291.391 2.739 20 30 CFEDMN N#Cc1ccc(CN2CCC[C@@H](c3ccccn3)C2)o1 ZINC000878648528 643973721 /nfs/dbraw/zinc/97/37/21/643973721.db2.gz PNQXNYLCKRAKMW-CYBMUJFWSA-N 0 1 267.332 2.926 20 30 CFEDMN C#CC[C@H]1CCCN(Cc2nnc(-c3ccccc3O)o2)C1 ZINC000878760421 644017729 /nfs/dbraw/zinc/01/77/29/644017729.db2.gz JNZPSSOBINGPDW-ZDUSSCGKSA-N 0 1 297.358 2.678 20 30 CFEDMN C=CC[C@H](C)N1C[C@@H](C)O[C@H](CC(F)(F)F)C1 ZINC000878997726 644105097 /nfs/dbraw/zinc/10/50/97/644105097.db2.gz JPUHOVKTYWMPOI-HBNTYKKESA-N 0 1 251.292 2.993 20 30 CFEDMN CC(=O)Nc1cccc2c1CN([C@@H]1CC[C@H](C#N)C1)CC2 ZINC000879237693 644184313 /nfs/dbraw/zinc/18/43/13/644184313.db2.gz NTTKFWKZUFMNDF-DZGCQCFKSA-N 0 1 283.375 2.695 20 30 CFEDMN C=CC(C)(C)CC(=O)N[C@@H](C)c1n[nH]c(C(C)C)n1 ZINC000879334948 644236856 /nfs/dbraw/zinc/23/68/56/644236856.db2.gz HXVRBDBQVAMFLN-JTQLQIEISA-N 0 1 264.373 2.708 20 30 CFEDMN N#Cc1cc(F)ccc1C[N@@H+]1CC[C@H](O)[C@@H]2CCCC[C@H]21 ZINC000879416673 644263477 /nfs/dbraw/zinc/26/34/77/644263477.db2.gz HTWWDOSGAXMEIZ-ZACQAIPSSA-N 0 1 288.366 2.823 20 30 CFEDMN N#Cc1cc(F)ccc1CN1CC[C@H](O)[C@@H]2CCCC[C@H]21 ZINC000879416673 644263481 /nfs/dbraw/zinc/26/34/81/644263481.db2.gz HTWWDOSGAXMEIZ-ZACQAIPSSA-N 0 1 288.366 2.823 20 30 CFEDMN N#CCC1(CN2Cc3cccnc3N3CCC[C@@H]3C2)CC1 ZINC000879500146 644294175 /nfs/dbraw/zinc/29/41/75/644294175.db2.gz QFCJSPXLRVHVHA-OAHLLOKOSA-N 0 1 282.391 2.560 20 30 CFEDMN C#CCCCN1CCN(c2ccc(F)cc2F)CC1 ZINC000879597866 644344369 /nfs/dbraw/zinc/34/43/69/644344369.db2.gz XBXRZJLTXYNRNP-UHFFFAOYSA-N 0 1 264.319 2.500 20 30 CFEDMN COc1ccc(C#N)cc1CN1CCC(C(C)(C)O)CC1 ZINC000879627872 644354430 /nfs/dbraw/zinc/35/44/30/644354430.db2.gz VZVHTFHVCFHFMA-UHFFFAOYSA-N 0 1 288.391 2.550 20 30 CFEDMN CCCCCNC(=O)C(C#N)C(=O)C[C@H]1CC[C@@H](C)C1 ZINC000247652644 650914599 /nfs/dbraw/zinc/91/45/99/650914599.db2.gz PIOBXNKQSZKSIL-HZSPNIEDSA-N 0 1 278.396 2.828 20 30 CFEDMN CC#CCC[N@H+]1CCC[C@@H]2[C@H]1CCN2C(=O)OC(C)(C)C ZINC000879755999 644412732 /nfs/dbraw/zinc/41/27/32/644412732.db2.gz YHFWEQDPJFFHTK-HUUCEWRRSA-N 0 1 292.423 2.874 20 30 CFEDMN N#Cc1ccc(CCN2CCO[C@@H](C(F)(F)F)CC2)cc1 ZINC000880049944 644513121 /nfs/dbraw/zinc/51/31/21/644513121.db2.gz CXCGFEBIDHLTLB-CQSZACIVSA-N 0 1 298.308 2.754 20 30 CFEDMN C(#Cc1ccccc1)CN1CC[C@H](c2nccs2)C1 ZINC000880320450 644653427 /nfs/dbraw/zinc/65/34/27/644653427.db2.gz HPQUXOUMHQMPLV-HNNXBMFYSA-N 0 1 268.385 2.984 20 30 CFEDMN COC(=O)c1ccc2c(c1)CCN([C@H](C)CCC#N)C2 ZINC000880351784 644663469 /nfs/dbraw/zinc/66/34/69/644663469.db2.gz DMFBFQHMZCZKBA-GFCCVEGCSA-N 0 1 272.348 2.524 20 30 CFEDMN C=CCN1CC[C@H](N2C[C@@H]3CC[C@H]2c2ccccc23)C1=O ZINC000880536823 644754305 /nfs/dbraw/zinc/75/43/05/644754305.db2.gz OBZSXUSMJZZPAG-JQFCIGGWSA-N 0 1 282.387 2.708 20 30 CFEDMN CC(C)C(N)=NOCc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000128546609 644795687 /nfs/dbraw/zinc/79/56/87/644795687.db2.gz GTPDENGZXBESTR-UHFFFAOYSA-N 0 1 271.704 2.693 20 30 CFEDMN C[C@@H]1C[C@H]1C(=O)C(C#N)C(=O)Nc1ccc(Cl)cc1 ZINC000249710051 650965986 /nfs/dbraw/zinc/96/59/86/650965986.db2.gz CZISPGHDONARJA-FXAINCCUSA-N 0 1 276.723 2.643 20 30 CFEDMN C=CCCC[C@@H](NC(=O)c1cnn[nH]1)c1ccccc1 ZINC000882234864 645249143 /nfs/dbraw/zinc/24/91/43/645249143.db2.gz ZINAPBDFQHNOMD-CYBMUJFWSA-N 0 1 270.336 2.632 20 30 CFEDMN C=CCCC[C@H](NC(=O)CCc1c[nH]nn1)c1ccccc1 ZINC000882235626 645250715 /nfs/dbraw/zinc/25/07/15/645250715.db2.gz UDHQFNOYAKGDPR-INIZCTEOSA-N 0 1 298.390 2.951 20 30 CFEDMN C=CCCC[C@H](NC(=O)CCc1cnn[nH]1)c1ccccc1 ZINC000882235626 645250717 /nfs/dbraw/zinc/25/07/17/645250717.db2.gz UDHQFNOYAKGDPR-INIZCTEOSA-N 0 1 298.390 2.951 20 30 CFEDMN C#Cc1ccc(CNCc2cnn(CCC)c2)cc1 ZINC000883132450 645618566 /nfs/dbraw/zinc/61/85/66/645618566.db2.gz RIVDWHWWRKANNK-UHFFFAOYSA-N 0 1 253.349 2.564 20 30 CFEDMN C=CCC[C@@H](NCc1cscn1)[C@H]1CCCO1 ZINC000883182553 645645578 /nfs/dbraw/zinc/64/55/78/645645578.db2.gz FSDMJFGPRJMYSV-CHWSQXEVSA-N 0 1 252.383 2.747 20 30 CFEDMN C=CCC[C@@H](NCc1coc(CC)n1)[C@H]1CCCO1 ZINC000883227261 645676948 /nfs/dbraw/zinc/67/69/48/645676948.db2.gz OAJIDJAIPOTNMS-ZIAGYGMSSA-N 0 1 264.369 2.840 20 30 CFEDMN C=CCC[C@H](NCc1nccc(OC)c1F)[C@H]1CCCO1 ZINC000883236325 645685525 /nfs/dbraw/zinc/68/55/25/645685525.db2.gz YXOUGFVTKCRYAA-GXTWGEPZSA-N 0 1 294.370 2.833 20 30 CFEDMN C=CCC[C@@H](NCc1nn(C)cc1C(F)F)[C@@H]1CCCO1 ZINC000883242942 645691017 /nfs/dbraw/zinc/69/10/17/645691017.db2.gz WZMCRWIGOCXKIU-OCCSQVGLSA-N 0 1 299.365 2.961 20 30 CFEDMN C=CCC[C@H](NCc1nonc1C)[C@@H]1Cc2ccccc2O1 ZINC000883244653 645692073 /nfs/dbraw/zinc/69/20/73/645692073.db2.gz SJHYTFDFFVWGDL-YOEHRIQHSA-N 0 1 299.374 2.806 20 30 CFEDMN C[C@]1(CNCc2nc(C#N)cs2)OCCc2ccccc21 ZINC000883338686 645748363 /nfs/dbraw/zinc/74/83/63/645748363.db2.gz GIAHVPFOHPCHAM-MRXNPFEDSA-N 0 1 299.399 2.592 20 30 CFEDMN C=C(C)C[C@@H](CO)NCc1ccsc1Br ZINC000883399057 645795447 /nfs/dbraw/zinc/79/54/47/645795447.db2.gz BXANDGIAQYHJRW-JTQLQIEISA-N 0 1 290.226 2.927 20 30 CFEDMN C=C(C)C[C@@H](CO)NCc1nc(C(C)(C)C)cs1 ZINC000883399074 645795514 /nfs/dbraw/zinc/79/55/14/645795514.db2.gz CRRGFQIMWOZCPT-NSHDSACASA-N 0 1 268.426 2.857 20 30 CFEDMN N#Cc1ccc(O)c(NC(=O)C(F)(F)c2ccccc2)c1 ZINC000132488223 645922696 /nfs/dbraw/zinc/92/26/96/645922696.db2.gz FRJLJOQLCAYIEV-UHFFFAOYSA-N 0 1 288.253 2.994 20 30 CFEDMN C[C@@H]1CCc2[nH]ncc2[C@@H]1C(=O)OCC#Cc1ccccc1 ZINC000885260610 646651146 /nfs/dbraw/zinc/65/11/46/646651146.db2.gz REDJXIFWZKRAPX-CXAGYDPISA-N 0 1 294.354 2.671 20 30 CFEDMN C#Cc1ccc(NC(=O)[C@@H](CC)N(C)C)c(Cl)c1 ZINC000885670324 646733459 /nfs/dbraw/zinc/73/34/59/646733459.db2.gz ZKJCKKVDKANJKN-CYBMUJFWSA-N 0 1 264.756 2.600 20 30 CFEDMN C#CCOc1cc(F)ccc1NCc1n[nH]c(C)c1C ZINC000885999865 646805233 /nfs/dbraw/zinc/80/52/33/646805233.db2.gz OUJSXLPKHFZMPH-UHFFFAOYSA-N 0 1 273.311 2.790 20 30 CFEDMN N#Cc1ccncc1N1CCN(CC[C@@H]2C[C@H]2C2CC2)CC1 ZINC000886215656 646924819 /nfs/dbraw/zinc/92/48/19/646924819.db2.gz PDKGNBDXLGGQKR-WBVHZDCISA-N 0 1 296.418 2.511 20 30 CFEDMN CCn1nccc1CNCc1ccc(SC)c(C#N)c1 ZINC000886277009 646947135 /nfs/dbraw/zinc/94/71/35/646947135.db2.gz CYEIXECUDCQXAB-UHFFFAOYSA-N 0 1 286.404 2.786 20 30 CFEDMN CSc1ccc(CNCc2c[nH]nc2C)cc1C#N ZINC000886279179 646948926 /nfs/dbraw/zinc/94/89/26/646948926.db2.gz RMHQTZRZCMGXJF-UHFFFAOYSA-N 0 1 272.377 2.602 20 30 CFEDMN N#CC1(C[C@H](O)CN[C@H](CF)c2ccc(F)cc2)CCC1 ZINC000886310513 646963204 /nfs/dbraw/zinc/96/32/04/646963204.db2.gz MQZLZBUXQIYXHE-LSDHHAIUSA-N 0 1 294.345 2.871 20 30 CFEDMN C#CC[C@H]1CC[N@H+]([C@@H](C)C(=O)N(CC)c2ccccc2)C1 ZINC000886353452 646983307 /nfs/dbraw/zinc/98/33/07/646983307.db2.gz JQPABIYNQLSHPH-HOTGVXAUSA-N 0 1 284.403 2.773 20 30 CFEDMN C#CC[C@@H]1CCN(Cc2ccn(-c3cccc(F)c3)n2)C1 ZINC000886358560 646985994 /nfs/dbraw/zinc/98/59/94/646985994.db2.gz WYPWFXWJNULJSL-CQSZACIVSA-N 0 1 283.350 2.857 20 30 CFEDMN C#CC[C@@H]1CCN(Cc2nnc(-c3cccc(F)c3)o2)C1 ZINC000886358073 646986163 /nfs/dbraw/zinc/98/61/63/646986163.db2.gz PCOPUYNWYBGWLS-GFCCVEGCSA-N 0 1 285.322 2.721 20 30 CFEDMN C#CC[C@H]1CCN(Cc2nc(-c3ccccc3F)no2)C1 ZINC000886363744 646987625 /nfs/dbraw/zinc/98/76/25/646987625.db2.gz AYYJUMMJSCTRGC-LBPRGKRZSA-N 0 1 285.322 2.721 20 30 CFEDMN C=CCCCC(=O)N1CCN(C)C[C@H]1CC(C)C ZINC000886593727 647058934 /nfs/dbraw/zinc/05/89/34/647058934.db2.gz XVZPRUNTIZPHFV-CQSZACIVSA-N 0 1 252.402 2.531 20 30 CFEDMN C#CCCCCCC(=O)N1CCN(C)C[C@@H]1CC(C)C ZINC000886595092 647059606 /nfs/dbraw/zinc/05/96/06/647059606.db2.gz AOTLCAVNQPNBTD-INIZCTEOSA-N 0 1 278.440 2.759 20 30 CFEDMN CSc1ccc(CN[C@@H](C)c2ccnn2C)cc1C#N ZINC000886690063 647112424 /nfs/dbraw/zinc/11/24/24/647112424.db2.gz NQSRTYRRNWECHP-NSHDSACASA-N 0 1 286.404 2.864 20 30 CFEDMN Cc1cc(CN2CC[C@@](CO)(C(F)(F)F)C2)ccc1C#N ZINC000886810675 647148291 /nfs/dbraw/zinc/14/82/91/647148291.db2.gz BGLKTOVYZURBQF-CQSZACIVSA-N 0 1 298.308 2.613 20 30 CFEDMN N#Cc1ccc(F)cc1CNCC1(C2(O)CCC2)CCC1 ZINC000886976652 647186716 /nfs/dbraw/zinc/18/67/16/647186716.db2.gz ISWFVRVKNQIOQL-UHFFFAOYSA-N 0 1 288.366 2.872 20 30 CFEDMN N#CCCN1CCCC[C@@H]1CC1(O)CCCCC1 ZINC000887037031 647194448 /nfs/dbraw/zinc/19/44/48/647194448.db2.gz SIQUPQPYEBIHEC-CQSZACIVSA-N 0 1 250.386 2.840 20 30 CFEDMN C[C@H](C(=O)N(CCC#N)c1ccccc1)N(C)CCCF ZINC000887140163 647228543 /nfs/dbraw/zinc/22/85/43/647228543.db2.gz SNWXDIVIJQYSNU-CQSZACIVSA-N 0 1 291.370 2.613 20 30 CFEDMN C#CCN(C(=O)c1cc(C)[nH]n1)[C@H]1CCCc2ccccc21 ZINC000887234162 647244644 /nfs/dbraw/zinc/24/46/44/647244644.db2.gz NUJQUTVRPMREGA-KRWDZBQOSA-N 0 1 293.370 2.871 20 30 CFEDMN C#CCN(C(=O)c1cnc(C)[nH]1)[C@H]1CCCc2ccccc21 ZINC000887234370 647245269 /nfs/dbraw/zinc/24/52/69/647245269.db2.gz SXUDQFKIJOMCOG-KRWDZBQOSA-N 0 1 293.370 2.871 20 30 CFEDMN O=[N+]([O-])c1cccc(CN=Nc2cnc3ccccc3n2)c1 ZINC000005777694 647852028 /nfs/dbraw/zinc/85/20/28/647852028.db2.gz YKTBUCSFOYCSNF-UHFFFAOYSA-N 0 1 293.286 2.984 20 30 CFEDMN COCCOc1ncccc1CN[C@H](C)CC(C)(C)C#N ZINC000924681919 648025679 /nfs/dbraw/zinc/02/56/79/648025679.db2.gz UFHJHYGTAOVDHJ-CYBMUJFWSA-N 0 1 291.395 2.525 20 30 CFEDMN C[C@@H](CC(C)(C)C#N)N[C@@H](CCO)c1ccco1 ZINC000926197610 648431242 /nfs/dbraw/zinc/43/12/42/648431242.db2.gz QGXRDYXUGLJOAM-RYUDHWBXSA-N 0 1 250.342 2.621 20 30 CFEDMN C[C@@H](NCC1(CC#N)CC1)c1cccc2c1OCO2 ZINC000926344655 648467959 /nfs/dbraw/zinc/46/79/59/648467959.db2.gz MCQWRKNDZNDPTO-LLVKDONJSA-N 0 1 258.321 2.760 20 30 CFEDMN CC[C@H]([NH2+]C[C@@H](C)CN(C)C)c1cccc(C#N)c1[O-] ZINC000926473729 648500807 /nfs/dbraw/zinc/50/08/07/648500807.db2.gz NISTZGHYCRKQMP-DOMZBBRYSA-N 0 1 275.396 2.502 20 30 CFEDMN C#CCOc1ccc(CN[C@@H](C)c2cc(OC)ccn2)cc1 ZINC000926531588 648520209 /nfs/dbraw/zinc/52/02/09/648520209.db2.gz SOBFQXGVQAMUDM-AWEZNQCLSA-N 0 1 296.370 2.953 20 30 CFEDMN N#C[C@@H]1CCCN(C(=O)c2cc(C3CCCCC3)[nH]n2)C1 ZINC000928221084 648877010 /nfs/dbraw/zinc/87/70/10/648877010.db2.gz KOYBGGBFLOHYPP-LBPRGKRZSA-N 0 1 286.379 2.833 20 30 CFEDMN CCN(CC)[C@@H](C(=O)N1CCC[C@H](C#N)C1)c1ccccc1 ZINC000928224977 648878769 /nfs/dbraw/zinc/87/87/69/648878769.db2.gz VEABJHOWZWKEGB-NVXWUHKLSA-N 0 1 299.418 2.832 20 30 CFEDMN CN(C)C1(C(=O)Nc2ccc(CCC#N)cc2)CCC1 ZINC000928402256 648907594 /nfs/dbraw/zinc/90/75/94/648907594.db2.gz SFCLTMRWFNUHMY-UHFFFAOYSA-N 0 1 271.364 2.566 20 30 CFEDMN C#CCN1CCC(NC(=O)CCC2CCCCCC2)CC1 ZINC000928649338 648938693 /nfs/dbraw/zinc/93/86/93/648938693.db2.gz ZZSRHUOBNALWGA-UHFFFAOYSA-N 0 1 290.451 2.951 20 30 CFEDMN C#CCN1CCC(NC(=O)C2CCCCCCC2)CC1 ZINC000928654929 648938867 /nfs/dbraw/zinc/93/88/67/648938867.db2.gz IECRGPPPKCPNRS-UHFFFAOYSA-N 0 1 276.424 2.561 20 30 CFEDMN C#CCN1CCC(NC(=O)[C@@H](CCC)CC(C)C)CC1 ZINC000928651217 648939184 /nfs/dbraw/zinc/93/91/84/648939184.db2.gz RBWVQLMEFHJFPC-HNNXBMFYSA-N 0 1 278.440 2.663 20 30 CFEDMN C#CCN1CCC(NC(=O)C[C@H](CC)C(C)(C)C)CC1 ZINC000928661257 648939875 /nfs/dbraw/zinc/93/98/75/648939875.db2.gz ZDCPASIXAFEESL-AWEZNQCLSA-N 0 1 278.440 2.663 20 30 CFEDMN Cc1cc(C#N)cc(C)c1CN1C[C@@H](C)O[C@@H](C)C1 ZINC000929126659 648984900 /nfs/dbraw/zinc/98/49/00/648984900.db2.gz VCAOJTRXBKDRRQ-OKILXGFUSA-N 0 1 258.365 2.784 20 30 CFEDMN CCc1ccc([C@H]2C[C@H](C)CCN2C[C@H](O)CC#N)o1 ZINC000929759814 649113715 /nfs/dbraw/zinc/11/37/15/649113715.db2.gz MONORBNFNLMIKS-UMVBOHGHSA-N 0 1 276.380 2.890 20 30 CFEDMN COC(=O)CN(CCCCC1(C#N)CCC1)C(C)C ZINC000929893453 649145976 /nfs/dbraw/zinc/14/59/76/649145976.db2.gz UUOIJMKNWCGEJH-UHFFFAOYSA-N 0 1 266.385 2.734 20 30 CFEDMN COC(=O)[C@@H]1CCCC[C@@H]1CN(C[C@@H](C)C#N)C1CC1 ZINC000930085515 649180965 /nfs/dbraw/zinc/18/09/65/649180965.db2.gz GAOBOLAXKGFOEW-GZBFAFLISA-N 0 1 278.396 2.590 20 30 CFEDMN C=C(C)CN(CC)C(=O)c1cc(F)cc(F)c1O ZINC000930117695 649188172 /nfs/dbraw/zinc/18/81/72/649188172.db2.gz VDLMAYGMSGNPDV-UHFFFAOYSA-N 0 1 255.264 2.709 20 30 CFEDMN Cc1nnc(CCN2CC=C(c3ccc(C#N)cc3)CC2)o1 ZINC000930157523 649194724 /nfs/dbraw/zinc/19/47/24/649194724.db2.gz FNZOPHUXAXOUSC-UHFFFAOYSA-N 0 1 294.358 2.582 20 30 CFEDMN CCC[C@@H](NC[C@H](O)CC#N)c1ccc(F)cc1F ZINC000930233382 649211430 /nfs/dbraw/zinc/21/14/30/649211430.db2.gz PBRRBZYHFKVSOK-BXUZGUMPSA-N 0 1 268.307 2.670 20 30 CFEDMN COCC[C@H]1COCCN1CCCCC1(C#N)CCC1 ZINC000930536323 649268844 /nfs/dbraw/zinc/26/88/44/649268844.db2.gz UYCXFPCVHMCFJA-HNNXBMFYSA-N 0 1 280.412 2.588 20 30 CFEDMN N#Cc1cncc(CN2CCC[C@@]3(CCSC3)C2)c1 ZINC000930665366 649301364 /nfs/dbraw/zinc/30/13/64/649301364.db2.gz YGFUJJRZDXIEOL-OAHLLOKOSA-N 0 1 273.405 2.672 20 30 CFEDMN CCc1onc(C)c1CN(C)C[C@@H](O)c1cccc(C#N)c1 ZINC000930844978 649334690 /nfs/dbraw/zinc/33/46/90/649334690.db2.gz JHRVFKLIFYJYDB-MRXNPFEDSA-N 0 1 299.374 2.583 20 30 CFEDMN C[C@H]1CCN(Cc2cc(Cl)cc(C#N)c2)C[C@H]1CO ZINC000931101102 649380134 /nfs/dbraw/zinc/38/01/34/649380134.db2.gz VGLYPFCKHCPICI-FZMZJTMJSA-N 0 1 278.783 2.662 20 30 CFEDMN C[C@H]1CN(CCCOc2ccc(C#N)cc2)Cc2c[nH]nc21 ZINC000931457562 649432257 /nfs/dbraw/zinc/43/22/57/649432257.db2.gz ZHVYBKPTBHTVCX-ZDUSSCGKSA-N 0 1 296.374 2.670 20 30 CFEDMN CN(Cc1ccc(N2CCOCC2)cc1)[C@H]1CCC[C@@H]1C#N ZINC000931477179 649438312 /nfs/dbraw/zinc/43/83/12/649438312.db2.gz WDTDVKPDHMKMHV-AEFFLSMTSA-N 0 1 299.418 2.647 20 30 CFEDMN CNC(=O)C[N@H+](Cc1ccccc1)CC1CCC(C#N)CC1 ZINC000931567331 649455403 /nfs/dbraw/zinc/45/54/03/649455403.db2.gz CYPGGURUQLPVHC-UHFFFAOYSA-N 0 1 299.418 2.565 20 30 CFEDMN Cc1nc([C@H]2CC[N@H+]([C@H](C)c3cccc(C#N)c3)C2)no1 ZINC000931936698 649515472 /nfs/dbraw/zinc/51/54/72/649515472.db2.gz FKCCMIUVPUBWAU-ABAIWWIYSA-N 0 1 282.347 2.800 20 30 CFEDMN Cc1nc([C@@H]2CC[N@@H+](CCCCC(C)(C)C#N)C2)no1 ZINC000931936838 649515684 /nfs/dbraw/zinc/51/56/84/649515684.db2.gz GIWALHJYHMGBQD-CYBMUJFWSA-N 0 1 276.384 2.887 20 30 CFEDMN Cn1ccc(C2CCN(Cc3cc(C#N)ccc3F)CC2)n1 ZINC000932149334 649550872 /nfs/dbraw/zinc/55/08/72/649550872.db2.gz ZCZZBCKCSNJYSU-UHFFFAOYSA-N 0 1 298.365 2.810 20 30 CFEDMN COCC#CCN[C@H]1CC2(CCC2)Oc2ccccc21 ZINC000932216944 649565352 /nfs/dbraw/zinc/56/53/52/649565352.db2.gz VPGYLDZXHXLBEY-HNNXBMFYSA-N 0 1 271.360 2.672 20 30 CFEDMN Cn1nccc1[C@@H]1CCCN1Cc1ccc(C#N)cc1 ZINC000932266772 649571250 /nfs/dbraw/zinc/57/12/50/649571250.db2.gz DZFBOULYDGNGPZ-INIZCTEOSA-N 0 1 266.348 2.629 20 30 CFEDMN C#CCOc1cccc(NC(=O)[C@H]2CCC[N@@H+]2C(C)C)c1 ZINC000932292531 649575485 /nfs/dbraw/zinc/57/54/85/649575485.db2.gz GCBNEOMBRWUYPW-MRXNPFEDSA-N 0 1 286.375 2.510 20 30 CFEDMN C#CCOc1cccc(NC(=O)[C@H]2CCCN2C(C)C)c1 ZINC000932292531 649575488 /nfs/dbraw/zinc/57/54/88/649575488.db2.gz GCBNEOMBRWUYPW-MRXNPFEDSA-N 0 1 286.375 2.510 20 30 CFEDMN CC(C)[C@@H](C#N)NC(=O)c1cccc2nc(C(F)F)[nH]c21 ZINC000932380491 649588304 /nfs/dbraw/zinc/58/83/04/649588304.db2.gz LKYAGEJEQTVIIQ-SNVBAGLBSA-N 0 1 292.289 2.778 20 30 CFEDMN C#CCN(C(C)C)[C@H]1CCCN(Cc2ccccc2)C1=O ZINC000932388409 649591688 /nfs/dbraw/zinc/59/16/88/649591688.db2.gz JHSWIKXUUSDOIY-KRWDZBQOSA-N 0 1 284.403 2.521 20 30 CFEDMN C#CC[N@H+](CC(=O)N(CC(F)(F)F)C(C)C)C(C)(C)C ZINC000932463378 649605198 /nfs/dbraw/zinc/60/51/98/649605198.db2.gz FMHNDFGOYAGTRD-UHFFFAOYSA-N 0 1 292.345 2.519 20 30 CFEDMN C#CCN(CC(=O)N(CC(F)(F)F)C(C)C)C(C)(C)C ZINC000932463378 649605199 /nfs/dbraw/zinc/60/51/99/649605199.db2.gz FMHNDFGOYAGTRD-UHFFFAOYSA-N 0 1 292.345 2.519 20 30 CFEDMN C#CCN(CC(=O)N([C@@H](C)C1CC1)C1CC1)C(C)(C)C ZINC000932464712 649606122 /nfs/dbraw/zinc/60/61/22/649606122.db2.gz TYGCFAUGNCCAOL-ZDUSSCGKSA-N 0 1 276.424 2.510 20 30 CFEDMN Cc1cc(C#N)ccc1CN1CCOC[C@H]1CC1CC1 ZINC000933207421 649679155 /nfs/dbraw/zinc/67/91/55/649679155.db2.gz CHULYHIIUFMACH-QGZVFWFLSA-N 0 1 270.376 2.868 20 30 CFEDMN C#CCCCNC1(c2ncc(Br)cn2)CCC1 ZINC000933321174 649686701 /nfs/dbraw/zinc/68/67/01/649686701.db2.gz KLLRDBOAUHHHBP-UHFFFAOYSA-N 0 1 294.196 2.621 20 30 CFEDMN Cc1nc([C@H](C)N2CCC(c3ccc(C#N)cc3)CC2)n[nH]1 ZINC000933608174 649705805 /nfs/dbraw/zinc/70/58/05/649705805.db2.gz XCRKHSLTHAPLAN-LBPRGKRZSA-N 0 1 295.390 2.925 20 30 CFEDMN C=CC[C@@H](C)N1CCO[C@H](c2ccc(C#N)cc2)C1 ZINC000933631475 649709041 /nfs/dbraw/zinc/70/90/41/649709041.db2.gz JXLHWKIKMIYOOS-CJNGLKHVSA-N 0 1 256.349 2.896 20 30 CFEDMN C[C@@H](C1CC1)N1CCO[C@H](c2ccc(C#N)cc2)C1 ZINC000933631652 649709122 /nfs/dbraw/zinc/70/91/22/649709122.db2.gz KMEVFVSLBGFLEK-LRDDRELGSA-N 0 1 256.349 2.730 20 30 CFEDMN Cc1ccc(F)c(CN2CCC3(CC2)CC(=O)C=CO3)c1 ZINC000933647416 649709845 /nfs/dbraw/zinc/70/98/45/649709845.db2.gz FLCRNLQJVYYMRJ-UHFFFAOYSA-N 0 1 289.350 2.972 20 30 CFEDMN CCCCOCCN(C)Cc1cc(C#N)cs1 ZINC000933779000 649721497 /nfs/dbraw/zinc/72/14/97/649721497.db2.gz WDNJLGRKZKFPDW-UHFFFAOYSA-N 0 1 252.383 2.868 20 30 CFEDMN CO[C@H]1CC[C@@H]1N(C)Cc1ccc(C#N)cc1OC(F)F ZINC000934120736 649752447 /nfs/dbraw/zinc/75/24/47/649752447.db2.gz IDULTKKSQCEYTP-STQMWFEESA-N 0 1 296.317 2.769 20 30 CFEDMN CO[C@@H]1CC[C@@H]1N(C)Cc1cc(Cl)ccc1OCC#N ZINC000934133444 649754323 /nfs/dbraw/zinc/75/43/23/649754323.db2.gz ZCQNDQUKAVQFEP-DZGCQCFKSA-N 0 1 294.782 2.852 20 30 CFEDMN C=C(C)CN(CC)C(=O)[C@@H](C)N[C@H](C)c1cncs1 ZINC000934202205 649759880 /nfs/dbraw/zinc/75/98/80/649759880.db2.gz PPPLEZOMRQMPHB-VXGBXAGGSA-N 0 1 281.425 2.607 20 30 CFEDMN C=CC[C@@H]1CCN1[C@H](C)C(=O)N1CCCC[C@@H]1CC ZINC000934470965 649790460 /nfs/dbraw/zinc/79/04/60/649790460.db2.gz IVOSAKSLTBJVMJ-QLFBSQMISA-N 0 1 264.413 2.816 20 30 CFEDMN C=CC[C@H]1CCN1CC(=O)N(C)[C@@H](C)c1ccccc1 ZINC000934471250 649790895 /nfs/dbraw/zinc/79/08/95/649790895.db2.gz KHYGLSAPQNZDGY-HOCLYGCPSA-N 0 1 272.392 2.856 20 30 CFEDMN C=CC[C@H]1CCN1CC(=O)N[C@H]1CCCc2ccccc21 ZINC000934471849 649790921 /nfs/dbraw/zinc/79/09/21/649790921.db2.gz NGKUBKLWKLIRSW-RDJZCZTQSA-N 0 1 284.403 2.831 20 30 CFEDMN C=CCCCN(CC)Cc1occc1C(=O)OC ZINC000934647644 649811749 /nfs/dbraw/zinc/81/17/49/649811749.db2.gz QOLJCYUTSXYCBC-UHFFFAOYSA-N 0 1 251.326 2.854 20 30 CFEDMN C=C(C)CN(CC)C(=O)CN[C@@H](c1ccncc1)C1CC1 ZINC000934684426 649815246 /nfs/dbraw/zinc/81/52/46/649815246.db2.gz AVQPOSNHXUYCLK-QGZVFWFLSA-N 0 1 287.407 2.547 20 30 CFEDMN Cc1ccc2nc(SCCO[C@@H](C)C#N)[nH]c2c1 ZINC000306001447 651087875 /nfs/dbraw/zinc/08/78/75/651087875.db2.gz IQYCICUCDBSESU-JTQLQIEISA-N 0 1 261.350 2.892 20 30 CFEDMN C=CCN1CCC[C@@H](NC(=O)[C@@H]2C[C@H]2CC(C)(C)C)C1 ZINC001007373313 651133169 /nfs/dbraw/zinc/13/31/69/651133169.db2.gz QLFFDARDEMCJAO-RRFJBIMHSA-N 0 1 278.440 2.825 20 30 CFEDMN C=CCN1CCC[C@H](NC(=O)[C@@H]2CCC(C)=C(C)C2)C1 ZINC001007397270 651134079 /nfs/dbraw/zinc/13/40/79/651134079.db2.gz BPCYPVNAMBCDKM-CVEARBPZSA-N 0 1 276.424 2.890 20 30 CFEDMN C=CCN1CCC[C@H](NC(=O)Cc2cccc(CC)c2)C1 ZINC001007677701 651137988 /nfs/dbraw/zinc/13/79/88/651137988.db2.gz HOIYIFYJQWJVML-KRWDZBQOSA-N 0 1 286.419 2.558 20 30 CFEDMN C#CCCN1CCC[C@@H](NC(=O)c2ccc(CC)s2)C1 ZINC001007846727 651140111 /nfs/dbraw/zinc/14/01/11/651140111.db2.gz WLBFINNKXFODMD-CYBMUJFWSA-N 0 1 290.432 2.528 20 30 CFEDMN C=CCN1CCC[C@@H](NC(=O)c2nccc3ccccc32)C1 ZINC001008344335 651146449 /nfs/dbraw/zinc/14/64/49/651146449.db2.gz QPVNIJUQUPSCBW-OAHLLOKOSA-N 0 1 295.386 2.615 20 30 CFEDMN C=CCCN1CCC[C@H](NC(=O)c2nc(Cl)cs2)C1 ZINC001008312435 651146623 /nfs/dbraw/zinc/14/66/23/651146623.db2.gz JXBNVLBVGLBKKV-JTQLQIEISA-N 0 1 299.827 2.567 20 30 CFEDMN C=CCN1CCC[C@@H](NC(=O)c2cccc(Cl)c2F)C1 ZINC001008368496 651147210 /nfs/dbraw/zinc/14/72/10/651147210.db2.gz AZMXBODJNYGJLJ-LLVKDONJSA-N 0 1 296.773 2.859 20 30 CFEDMN C=CCN1CCC[C@H](NC(=O)[C@@H](C)c2cccs2)C1 ZINC001008502422 651150071 /nfs/dbraw/zinc/15/00/71/651150071.db2.gz PNAKVSPATDTZCP-STQMWFEESA-N 0 1 278.421 2.618 20 30 CFEDMN C=CCN1CCC[C@H](NC(=O)c2cc(C)ccc2F)C1 ZINC001008666111 651152464 /nfs/dbraw/zinc/15/24/64/651152464.db2.gz MMGZFCVHSFYUMH-ZDUSSCGKSA-N 0 1 276.355 2.514 20 30 CFEDMN C#CCCN1CCC[C@H](NC(=O)c2csc(Cl)c2)C1 ZINC001008761672 651152707 /nfs/dbraw/zinc/15/27/07/651152707.db2.gz QUMMFMBZYNIQFO-LBPRGKRZSA-N 0 1 296.823 2.619 20 30 CFEDMN C=CCN1CCC[C@@H](NC(=O)C23CCC(CC2)C3(C)C)C1 ZINC001008802060 651153614 /nfs/dbraw/zinc/15/36/14/651153614.db2.gz SFEBGTKNZXBCDG-SWKXRBFHSA-N 0 1 290.451 2.969 20 30 CFEDMN C=C(C)CN1CCC[C@H](NC(=O)[C@H]2C[C@@H]2c2ccccc2)C1 ZINC001008783176 651153679 /nfs/dbraw/zinc/15/36/79/651153679.db2.gz GHZRGQGVOJERRE-KSZLIROESA-N 0 1 298.430 2.947 20 30 CFEDMN C=C(C)CN1CCC[C@@H](NC(=O)[C@H](C)c2ccc(C)o2)C1 ZINC001008788343 651153990 /nfs/dbraw/zinc/15/39/90/651153990.db2.gz HJWUZSGADVHLMJ-HUUCEWRRSA-N 0 1 290.407 2.848 20 30 CFEDMN C=CCN1CCC[C@H](NC(=O)[C@@]2(C)C[C@@H]2c2ccccc2)C1 ZINC001008819438 651154577 /nfs/dbraw/zinc/15/45/77/651154577.db2.gz JYXMRXUIWDEGIA-SCTDSRPQSA-N 0 1 298.430 2.947 20 30 CFEDMN C=C(C)CN1CCC[C@@H](NC(=O)C(C2CC2)C2CC2)C1 ZINC001009146411 651157038 /nfs/dbraw/zinc/15/70/38/651157038.db2.gz MSQLCDKFTDUIIM-OAHLLOKOSA-N 0 1 276.424 2.579 20 30 CFEDMN C=CCN1CCC[C@@H](NC(=O)[C@@H]2C[C@H]2c2ccccc2)C1 ZINC001009262976 651158139 /nfs/dbraw/zinc/15/81/39/651158139.db2.gz JURSFVHDKDLJHN-IXDOHACOSA-N 0 1 284.403 2.557 20 30 CFEDMN C=CCN1CCC[C@@H](NC(=O)c2c(C)cc(C)cc2C)C1 ZINC001009421815 651160368 /nfs/dbraw/zinc/16/03/68/651160368.db2.gz APLDLZHKLOHTMA-MRXNPFEDSA-N 0 1 286.419 2.992 20 30 CFEDMN C#CCCN1CCC[C@@H](NC(=O)c2cc(C)c(C)s2)C1 ZINC001009450077 651160671 /nfs/dbraw/zinc/16/06/71/651160671.db2.gz WCWOTUMOJMTQTF-CQSZACIVSA-N 0 1 290.432 2.582 20 30 CFEDMN C=CCN1CCC[C@H](NC(=O)c2cccc3oc(C)nc32)C1 ZINC001009677355 651163346 /nfs/dbraw/zinc/16/33/46/651163346.db2.gz WIPFBPIPVQYNAB-ZDUSSCGKSA-N 0 1 299.374 2.516 20 30 CFEDMN C=CCN1CCC[C@H](NC(=O)C2(c3ccccc3C)CC2)C1 ZINC001009726595 651164317 /nfs/dbraw/zinc/16/43/17/651164317.db2.gz VGEWWXDPTYBCLW-INIZCTEOSA-N 0 1 298.430 2.793 20 30 CFEDMN C=CCN1CC[C@@H](NC(=O)C2(C)CCCCCC2)C1 ZINC001014751988 651191231 /nfs/dbraw/zinc/19/12/31/651191231.db2.gz KHRYRBBEVJGXDY-CQSZACIVSA-N 0 1 264.413 2.723 20 30 CFEDMN C=CCN1CC[C@H](NC(=O)c2c(C)c(F)ccc2Cl)C1 ZINC001015004486 651194707 /nfs/dbraw/zinc/19/47/07/651194707.db2.gz PXGQEGOXCJVYLE-NSHDSACASA-N 0 1 296.773 2.778 20 30 CFEDMN C=C(C)CN1CC[C@H](NC(=O)c2cccc(C(C)C)n2)C1 ZINC001015126658 651195817 /nfs/dbraw/zinc/19/58/17/651195817.db2.gz LQDQSHZWNSYKJH-AWEZNQCLSA-N 0 1 287.407 2.585 20 30 CFEDMN C#CCCN1CC[C@H](NC(=O)c2cc3ccccc3s2)C1 ZINC001015146597 651195834 /nfs/dbraw/zinc/19/58/34/651195834.db2.gz STQSRXABSCCZCY-AWEZNQCLSA-N 0 1 298.411 2.729 20 30 CFEDMN C=CCN1CC[C@H](NC(=O)c2cn(CC)c3ccccc23)C1 ZINC001015174813 651196822 /nfs/dbraw/zinc/19/68/22/651196822.db2.gz CWICKBWHWQUPFO-AWEZNQCLSA-N 0 1 297.402 2.651 20 30 CFEDMN C=CCN1CC[C@H](NC(=O)c2ccc(C)c3cccnc23)C1 ZINC001015317556 651198830 /nfs/dbraw/zinc/19/88/30/651198830.db2.gz GVOUMSGJTPWULV-AWEZNQCLSA-N 0 1 295.386 2.533 20 30 CFEDMN C=CCN1CC[C@H](NC(=O)c2ccc(Cl)cc2C)C1 ZINC001015647949 651207481 /nfs/dbraw/zinc/20/74/81/651207481.db2.gz ABTSESMQIZGDDE-ZDUSSCGKSA-N 0 1 278.783 2.639 20 30 CFEDMN C=C(C)CN1CC[C@@H](NC(=O)c2c(F)ccc(C)c2F)C1 ZINC001015656641 651208099 /nfs/dbraw/zinc/20/80/99/651208099.db2.gz QGRBDDZLNAIQJB-GFCCVEGCSA-N 0 1 294.345 2.653 20 30 CFEDMN C=CCN1CC[C@H](NC(=O)[C@H](C)c2ccc(CC)cc2)C1 ZINC001015859562 651216686 /nfs/dbraw/zinc/21/66/86/651216686.db2.gz FTIFCOGQWIWLHS-PBHICJAKSA-N 0 1 286.419 2.729 20 30 CFEDMN C=CCN1CC[C@H](NC(=O)[C@]2(c3ccccc3)CC2(C)C)C1 ZINC001015893093 651217159 /nfs/dbraw/zinc/21/71/59/651217159.db2.gz IGGZQBJBLXNBJX-QFBILLFUSA-N 0 1 298.430 2.731 20 30 CFEDMN C=CCN1CC[C@@H](NC(=O)c2cc(C(C)C)oc2C)C1 ZINC001015924944 651218010 /nfs/dbraw/zinc/21/80/10/651218010.db2.gz WNSIUUDSVWRUMO-CYBMUJFWSA-N 0 1 276.380 2.702 20 30 CFEDMN C=CCN1CC[C@@H](NC(=O)[C@H](C)c2cc3ccccc3o2)C1 ZINC001015966905 651218511 /nfs/dbraw/zinc/21/85/11/651218511.db2.gz ROBHQRVGVDKJDF-UKRRQHHQSA-N 0 1 298.386 2.913 20 30 CFEDMN C=C(C)CN1CC[C@H](NC(=O)c2oc(CC)cc2C)C1 ZINC001016000084 651219973 /nfs/dbraw/zinc/21/99/73/651219973.db2.gz XGHRAICXICVOJA-ZDUSSCGKSA-N 0 1 276.380 2.531 20 30 CFEDMN C=C(C)CN1CC[C@H](NC(=O)c2cc3nc(C)ccc3o2)C1 ZINC001016051325 651221997 /nfs/dbraw/zinc/22/19/97/651221997.db2.gz CJBMXIPNPWKQLF-ZDUSSCGKSA-N 0 1 299.374 2.516 20 30 CFEDMN C=CCN1CC[C@@H](NC(=O)c2cccc(C(F)(F)F)c2)C1 ZINC001016067266 651222616 /nfs/dbraw/zinc/22/26/16/651222616.db2.gz DYJACKJXSAKLCB-CYBMUJFWSA-N 0 1 298.308 2.696 20 30 CFEDMN C=C(C)CN1CC[C@H](NC(=O)c2ccc(F)cc2Cl)C1 ZINC001016158916 651226705 /nfs/dbraw/zinc/22/67/05/651226705.db2.gz IEBSGJBOHJNZBX-LBPRGKRZSA-N 0 1 296.773 2.859 20 30 CFEDMN C=CCN1CC[C@@H](NC(=O)C2(c3ccccc3)CCCC2)C1 ZINC001016185811 651227112 /nfs/dbraw/zinc/22/71/12/651227112.db2.gz WNYKYVZMZBRITQ-QGZVFWFLSA-N 0 1 298.430 2.875 20 30 CFEDMN C=CCN1CC[C@@H](NC(=O)Cc2coc3cc(C)ccc23)C1 ZINC001016182221 651227527 /nfs/dbraw/zinc/22/75/27/651227527.db2.gz NPRWYSNMKCZTGS-OAHLLOKOSA-N 0 1 298.386 2.660 20 30 CFEDMN C#CCCN1CC[C@H](NC(=O)c2cc3cc(C)ccc3o2)C1 ZINC001016338273 651230537 /nfs/dbraw/zinc/23/05/37/651230537.db2.gz XYBBWLAHORNLDB-HNNXBMFYSA-N 0 1 296.370 2.569 20 30 CFEDMN C=C(Cl)CN1CCC2(C[C@@H]2NC(=O)C2CCC2)CC1 ZINC001016454728 651234321 /nfs/dbraw/zinc/23/43/21/651234321.db2.gz KLOLWRPEGILECW-ZDUSSCGKSA-N 0 1 282.815 2.510 20 30 CFEDMN C=C(Cl)CN1CCC2(C[C@H]2NC(=O)c2ccco2)CC1 ZINC001016474163 651235287 /nfs/dbraw/zinc/23/52/87/651235287.db2.gz IMDRGZQDTACKOT-CYBMUJFWSA-N 0 1 294.782 2.616 20 30 CFEDMN C=CCCN1C[C@H]2CC[C@@H](C1)N2C(=O)c1cc(C)nc(C)c1 ZINC001017589054 651254625 /nfs/dbraw/zinc/25/46/25/651254625.db2.gz UYJHRCHXMXSZCU-CALCHBBNSA-N 0 1 299.418 2.563 20 30 CFEDMN C=CCCN1C[C@H]2CC[C@@H](C1)N2C(=O)C(C)(C)C1CC1 ZINC001017834519 651259140 /nfs/dbraw/zinc/25/91/40/651259140.db2.gz QOKACMPPFFSQFG-GASCZTMLSA-N 0 1 276.424 2.674 20 30 CFEDMN C=C(C)CN1C[C@H]2CC[C@@H](C1)N2C(=O)C[C@H](C)C1CC1 ZINC001018321728 651269162 /nfs/dbraw/zinc/26/91/62/651269162.db2.gz YXGAWNDZJDSUDL-CWRNSKLLSA-N 0 1 276.424 2.674 20 30 CFEDMN C=C(Cl)CN[C@H]1CCN(C(=O)C(C)(C)C(C)C)C1 ZINC001018903491 651276914 /nfs/dbraw/zinc/27/69/14/651276914.db2.gz GUWAYTBULHZBEM-LBPRGKRZSA-N 0 1 272.820 2.612 20 30 CFEDMN C=C(Cl)CN[C@H]1CCN(C(=O)C2(C3CC3)CCC2)C1 ZINC001019198113 651280472 /nfs/dbraw/zinc/28/04/72/651280472.db2.gz LUWSUQSHVBLCEQ-ZDUSSCGKSA-N 0 1 282.815 2.510 20 30 CFEDMN C=C(Cl)CN[C@H]1CCN(C(=O)c2oc(CC)cc2C)C1 ZINC001019659849 651288915 /nfs/dbraw/zinc/28/89/15/651288915.db2.gz OSHDETKNAPLVAW-LBPRGKRZSA-N 0 1 296.798 2.707 20 30 CFEDMN C=C(Cl)CN[C@H]1CCN(C(=O)[C@@H](C)c2ccccc2)C1 ZINC001019666736 651289098 /nfs/dbraw/zinc/28/90/98/651289098.db2.gz PUOQVAVZUVYNQE-ZFWWWQNUSA-N 0 1 292.810 2.733 20 30 CFEDMN C=C(Cl)CN[C@H]1CCN(C(=O)CC(C2CC2)C2CC2)C1 ZINC001019831796 651292384 /nfs/dbraw/zinc/29/23/84/651292384.db2.gz RAFRTLOZLRKXCQ-AWEZNQCLSA-N 0 1 296.842 2.756 20 30 CFEDMN C#CCCN1CC[C@@H]1CN(C)C(=O)c1cccc(Cl)c1 ZINC001085940387 782209986 /nfs/dbraw/zinc/20/99/86/782209986.db2.gz FZKVRJHLCIUPGR-OAHLLOKOSA-N 0 1 290.794 2.510 20 30 CFEDMN C#CCCN1CC[C@H]1CN(C)C(=O)c1c(C)cc(C)cc1C ZINC001085960984 782220478 /nfs/dbraw/zinc/22/04/78/782220478.db2.gz UKGPNZHNWLMCER-KRWDZBQOSA-N 0 1 298.430 2.781 20 30 CFEDMN N#Cc1c2c(cnc1-c1cccc([O-])c1F)C[NH2+]CCC2 ZINC001243541896 782264642 /nfs/dbraw/zinc/26/46/42/782264642.db2.gz HLINASPLOGKZII-UHFFFAOYSA-N 0 1 283.306 2.501 20 30 CFEDMN CC1(C)CC(=O)C=C(Nc2cc(=O)[nH]c(Cl)n2)C1 ZINC001210149872 770219687 /nfs/dbraw/zinc/21/96/87/770219687.db2.gz XJSPDQNSGPYIFP-UHFFFAOYSA-N 0 1 267.716 2.521 20 30 CFEDMN C#CCN1CCCC[C@H]1CNC(=O)[C@H](CC)CC(C)C ZINC001266857700 770685949 /nfs/dbraw/zinc/68/59/49/770685949.db2.gz OLWZCZJDOVLEKA-CVEARBPZSA-N 0 1 278.440 2.663 20 30 CFEDMN CCC#C[C@@H](C)Oc1[nH]c(=O)nc2cccc(OC)c21 ZINC001229240847 776762201 /nfs/dbraw/zinc/76/22/01/776762201.db2.gz YTGRJNSOWYZVFL-SNVBAGLBSA-N 0 1 272.304 2.525 20 30 CFEDMN C#C[C@@H](CCC)Oc1[nH]c(=O)nc2cccc(OC)c21 ZINC001229240584 776762562 /nfs/dbraw/zinc/76/25/62/776762562.db2.gz WVBNDQQFYBJCPX-JTQLQIEISA-N 0 1 272.304 2.525 20 30 CFEDMN C=CCN1CCC[C@@H]1CNC(=O)c1ncsc1C(C)C ZINC001028256724 776762739 /nfs/dbraw/zinc/76/27/39/776762739.db2.gz MUPDPIPKTLJGGY-GFCCVEGCSA-N 0 1 293.436 2.647 20 30 CFEDMN C=CCN1CC[C@H](N(C)C(=O)c2cc(C)c(CC)s2)C1 ZINC001033644154 780741534 /nfs/dbraw/zinc/74/15/34/780741534.db2.gz IQNZWFAAHDYYAE-ZDUSSCGKSA-N 0 1 292.448 2.951 20 30 CFEDMN C=CCN1CC[C@H](N(CC)C(=O)[C@@H]2CC23CCCC3)C1 ZINC001034016320 780854830 /nfs/dbraw/zinc/85/48/30/780854830.db2.gz HTPBVROPOKHTCE-GJZGRUSLSA-N 0 1 276.424 2.676 20 30 CFEDMN C[C@H]1C[C@H]2CN(Cc3cc(F)cc(C#N)c3)CC[C@H]2O1 ZINC001139877830 769827927 /nfs/dbraw/zinc/82/79/27/769827927.db2.gz VATAHXYZWUVAPM-HZUKXOBISA-N 0 1 274.339 2.697 20 30 CFEDMN C=CCN1CC[C@H](NC(=O)C/C=C\Cc2ccccc2)C1 ZINC001266325169 769965579 /nfs/dbraw/zinc/96/55/79/769965579.db2.gz KWHKYMKPLAPDMB-TUYSUELWSA-N 0 1 284.403 2.552 20 30 CFEDMN CC#CCN1CC[C@@H](NC(=O)CC[C@H](C)c2ccccc2)C1 ZINC001266344667 769993481 /nfs/dbraw/zinc/99/34/81/769993481.db2.gz KPLABAAELAJMRD-FUHWJXTLSA-N 0 1 298.430 2.784 20 30 CFEDMN CC#CCN(C)CCNC(=O)C[C@H](CC)C(C)(C)C ZINC001266347244 769996644 /nfs/dbraw/zinc/99/66/44/769996644.db2.gz JAVFZIYEKPLVMC-AWEZNQCLSA-N 0 1 266.429 2.520 20 30 CFEDMN C=CC[C@@H](C(=O)N[C@@H]1CCN(CC=C)C1)c1ccccc1 ZINC001266360790 770021896 /nfs/dbraw/zinc/02/18/96/770021896.db2.gz CDUNDEOTCUWIPA-IAGOWNOFSA-N 0 1 284.403 2.723 20 30 CFEDMN C#CCCCN(Cc1cccnc1)Cc1cccnc1 ZINC001209265720 770028508 /nfs/dbraw/zinc/02/85/08/770028508.db2.gz FDSOPTQVFAFTTI-UHFFFAOYSA-N 0 1 265.360 2.892 20 30 CFEDMN C=CCC1(C(=O)N[C@@H]2CC23CCN(CCF)CC3)CCC1 ZINC001266377046 770047566 /nfs/dbraw/zinc/04/75/66/770047566.db2.gz NQXLUKLOSOBTCP-CQSZACIVSA-N 0 1 294.414 2.673 20 30 CFEDMN C=CCC1(C(=O)N[C@H]2CC23CCN(CCF)CC3)CCC1 ZINC001266377045 770047626 /nfs/dbraw/zinc/04/76/26/770047626.db2.gz NQXLUKLOSOBTCP-AWEZNQCLSA-N 0 1 294.414 2.673 20 30 CFEDMN C#CC[N@@H+](CC)CCNC(=O)[C@H](C)c1cc2ccccc2o1 ZINC001266428212 770131786 /nfs/dbraw/zinc/13/17/86/770131786.db2.gz NESCOKDPXXSFEP-CQSZACIVSA-N 0 1 298.386 2.608 20 30 CFEDMN C#CCN(CC)CCNC(=O)[C@H](C)c1cc2ccccc2o1 ZINC001266428212 770131790 /nfs/dbraw/zinc/13/17/90/770131790.db2.gz NESCOKDPXXSFEP-CQSZACIVSA-N 0 1 298.386 2.608 20 30 CFEDMN C=CC[N@@H+](CC)CCNC(=O)C(C)(C)CC(F)(F)F ZINC001266428717 770132146 /nfs/dbraw/zinc/13/21/46/770132146.db2.gz UTQKJBPDDYEDQE-UHFFFAOYSA-N 0 1 280.334 2.589 20 30 CFEDMN CC#CCN1CCC[C@@H]1CNC(=O)[C@H](CC)CCCC ZINC001266446292 770164074 /nfs/dbraw/zinc/16/40/74/770164074.db2.gz COHKGYCPKOQIJW-HZPDHXFCSA-N 0 1 278.440 2.807 20 30 CFEDMN C[C@@H]1CC(=O)C=C(Nc2ccnc(N3CCCC3)c2)C1 ZINC001210769048 770361167 /nfs/dbraw/zinc/36/11/67/770361167.db2.gz MXXXMPZZNLIKQA-LBPRGKRZSA-N 0 1 271.364 2.977 20 30 CFEDMN C=CCC(C)(C)C(=O)NCCCN[C@@H](C)c1ncc(C)o1 ZINC001167363102 770374373 /nfs/dbraw/zinc/37/43/73/770374373.db2.gz MKRVPOKWQXEOGH-ZDUSSCGKSA-N 0 1 293.411 2.742 20 30 CFEDMN N#C[C@H]1CN(Cc2cc3ccccc3s2)CCC1=O ZINC001137685644 770383693 /nfs/dbraw/zinc/38/36/93/770383693.db2.gz SPJCIQVOGNTVOY-LBPRGKRZSA-N 0 1 270.357 2.816 20 30 CFEDMN C#CCN(CCNC(=O)CCCCC(C)(C)C)C1CC1 ZINC001266593907 770394818 /nfs/dbraw/zinc/39/48/18/770394818.db2.gz ALQWFJWDWPUTIV-UHFFFAOYSA-N 0 1 278.440 2.807 20 30 CFEDMN C=C(C)CCN1CC[C@@H]1CNC(=O)c1ccoc1Cl ZINC001038204262 770459842 /nfs/dbraw/zinc/45/98/42/770459842.db2.gz HUWCYBGNEYCRGM-LLVKDONJSA-N 0 1 282.771 2.703 20 30 CFEDMN C=CCN1CC[C@H]2CC[C@@H](C1)N2C(=O)c1sccc1C ZINC001039318572 770484803 /nfs/dbraw/zinc/48/48/03/770484803.db2.gz GNNPKFVYKHAWOP-KGLIPLIRSA-N 0 1 290.432 2.921 20 30 CFEDMN C=CC(C)(C)CC(=O)N1CCC[C@@H]2CN(CCF)CC[C@H]21 ZINC001266658465 770490675 /nfs/dbraw/zinc/49/06/75/770490675.db2.gz DJABAKCIOVDIGJ-HUUCEWRRSA-N 0 1 296.430 2.871 20 30 CFEDMN C=CCN1CC[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1CC=CCC1 ZINC001039340273 770508554 /nfs/dbraw/zinc/50/85/54/770508554.db2.gz RFXKHWZFTBMXGX-OAGGEKHMSA-N 0 1 274.408 2.594 20 30 CFEDMN C=C(Cl)CNCCN(C)C(=O)c1ccoc1C1CC1 ZINC001266818379 770642962 /nfs/dbraw/zinc/64/29/62/770642962.db2.gz XOQIIAKRKZAVAO-UHFFFAOYSA-N 0 1 282.771 2.571 20 30 CFEDMN C=CCN1CCCC[C@H]1CNC(=O)[C@H](C)c1ccccc1 ZINC001266855630 770681219 /nfs/dbraw/zinc/68/12/19/770681219.db2.gz DLNFIJKPYIUJIB-WBVHZDCISA-N 0 1 286.419 2.947 20 30 CFEDMN C=C(Cl)CN[C@H](C)CNC(=O)C(C)=C1CCCC1 ZINC001266930882 770753507 /nfs/dbraw/zinc/75/35/07/770753507.db2.gz CWICIIWDXJZMPV-LLVKDONJSA-N 0 1 270.804 2.724 20 30 CFEDMN C=C(Cl)CNCCN(C)C(=O)[C@@H]1C[C@H]1c1ccccc1 ZINC001266998945 770794532 /nfs/dbraw/zinc/79/45/32/770794532.db2.gz HUJZKWGKUZHSNM-LSDHHAIUSA-N 0 1 292.810 2.591 20 30 CFEDMN C=CCN1CCCO[C@H](CNC(=O)[C@H](CC)CCCC)C1 ZINC001149262349 770822502 /nfs/dbraw/zinc/82/25/02/770822502.db2.gz FSPWEXNQMIZEOF-HZPDHXFCSA-N 0 1 296.455 2.596 20 30 CFEDMN C[C@@H]1CCN(Cc2cc(C#N)ccc2Cl)CC[C@H]1O ZINC001140599437 773196066 /nfs/dbraw/zinc/19/60/66/773196066.db2.gz CDWIBIONIKNXCZ-IAQYHMDHSA-N 0 1 278.783 2.804 20 30 CFEDMN N#Cc1cnc2cc(NCc3ccccc3C#N)c[nH]c1-2 ZINC001167633530 773202661 /nfs/dbraw/zinc/20/26/61/773202661.db2.gz KPGNWRKVTFIMHI-UHFFFAOYSA-N 0 1 273.299 2.918 20 30 CFEDMN CC#CCN(C)CCNC(=O)[C@H](C)CC1CCCCC1 ZINC001267227628 773229980 /nfs/dbraw/zinc/22/99/80/773229980.db2.gz YVHKDPIULWBJDH-OAHLLOKOSA-N 0 1 278.440 2.664 20 30 CFEDMN C=C1O[C@@H](CC)C(=O)C1OCc1cc(C)nc(OC)c1 ZINC001224116721 775105478 /nfs/dbraw/zinc/10/54/78/775105478.db2.gz ASPCGTAENUXTIJ-LBPRGKRZSA-N 0 1 277.320 2.525 20 30 CFEDMN C#CCN1CCC[C@H]1CNC(=O)[C@@H](C)CCCCCC ZINC001267278541 775144604 /nfs/dbraw/zinc/14/46/04/775144604.db2.gz MDGVAWGBLCFFLI-HOTGVXAUSA-N 0 1 278.440 2.807 20 30 CFEDMN N#Cc1ccccc1OCCN1CCC(F)(F)CC1 ZINC000404853701 775146324 /nfs/dbraw/zinc/14/63/24/775146324.db2.gz UHPDOGQDGIXFBL-UHFFFAOYSA-N 0 1 266.291 2.668 20 30 CFEDMN CCOc1ccccc1OCCOC1=C(C)O[C@H](C)C1=O ZINC001224492364 775203039 /nfs/dbraw/zinc/20/30/39/775203039.db2.gz TXKUQXZYEYOLCG-LLVKDONJSA-N 0 1 292.331 2.700 20 30 CFEDMN CC#CCN(CCNC(=O)C1CC(C(C)(C)C)C1)C1CC1 ZINC001267337620 775221187 /nfs/dbraw/zinc/22/11/87/775221187.db2.gz CGNDQJJXVDRKKN-UHFFFAOYSA-N 0 1 290.451 2.663 20 30 CFEDMN COc1ccc(CN2CC[C@H](C)[C@](C)(O)CC2)c(C#N)c1 ZINC001137697987 775222112 /nfs/dbraw/zinc/22/21/12/775222112.db2.gz FCUSBFQZVHCUHU-SUMWQHHRSA-N 0 1 288.391 2.550 20 30 CFEDMN C=C1O[C@H](C)C(=O)C1OCCCCO[C@H]1CCCCO1 ZINC001224908793 775304905 /nfs/dbraw/zinc/30/49/05/775304905.db2.gz QJDQDUMTPJMXKL-YPMHNXCESA-N 0 1 284.352 2.546 20 30 CFEDMN CC1=C(OCCCOc2ccccc2C)C(=O)[C@H](C)O1 ZINC001225014984 775335859 /nfs/dbraw/zinc/33/58/59/775335859.db2.gz PWHIQDXUGZGHCD-LBPRGKRZSA-N 0 1 276.332 3.000 20 30 CFEDMN CC1=C(OCCCOc2ccccc2C)C(=O)[C@@H](C)O1 ZINC001225014983 775336688 /nfs/dbraw/zinc/33/66/88/775336688.db2.gz PWHIQDXUGZGHCD-GFCCVEGCSA-N 0 1 276.332 3.000 20 30 CFEDMN C=CCCCC(=O)N1C[C@H]2CC[C@@H](C1)N2CC(=C)C ZINC001267532795 775430018 /nfs/dbraw/zinc/43/00/18/775430018.db2.gz IZPQSXFVTVWDDU-GASCZTMLSA-N 0 1 262.397 2.594 20 30 CFEDMN CC#CCN1CC[C@H](N(CCC)C(=O)c2ccccc2)C1 ZINC001267537682 775443551 /nfs/dbraw/zinc/44/35/51/775443551.db2.gz CSKDNSDZISLLJA-KRWDZBQOSA-N 0 1 284.403 2.636 20 30 CFEDMN N#Cc1cccc(CN2CC[C@]3(CCOC3)C2)c1Cl ZINC001140808086 775499941 /nfs/dbraw/zinc/49/99/41/775499941.db2.gz KBYIGTDRYXTVCO-HNNXBMFYSA-N 0 1 276.767 2.824 20 30 CFEDMN N#Cc1cccc(CN2CC[C@@]3(CCOC3)C2)c1Cl ZINC001140808088 775500144 /nfs/dbraw/zinc/50/01/44/775500144.db2.gz KBYIGTDRYXTVCO-OAHLLOKOSA-N 0 1 276.767 2.824 20 30 CFEDMN C=C[C@H](C(=O)N1CCN([C@@H](C)CC)CC1)c1ccccc1 ZINC001140844659 775554291 /nfs/dbraw/zinc/55/42/91/775554291.db2.gz KDCCKICKMWFCKW-RDJZCZTQSA-N 0 1 286.419 2.899 20 30 CFEDMN C=C(Cl)CN1CCC[C@H]1[C@H]1CCCCN1C(C)=O ZINC001025178765 775554871 /nfs/dbraw/zinc/55/48/71/775554871.db2.gz HKGQMJLJIDEPPY-UONOGXRCSA-N 0 1 270.804 2.604 20 30 CFEDMN C=C(Cl)CN1CCC[C@H]1[C@@H]1CCCCN1C(=O)CC ZINC001025186873 775560465 /nfs/dbraw/zinc/56/04/65/775560465.db2.gz ZSIXMDBEBCCKOB-KBPBESRZSA-N 0 1 284.831 2.994 20 30 CFEDMN C=CCN1CCC[C@@H](NC(=O)C(C)(C)CCC)C1 ZINC001267617023 775693847 /nfs/dbraw/zinc/69/38/47/775693847.db2.gz CMFMZROUKPGFGJ-CYBMUJFWSA-N 0 1 252.402 2.579 20 30 CFEDMN C=CCN1CCC[C@@H](NC(=O)CC[C@@H](C)CC)C1 ZINC001267619406 775702036 /nfs/dbraw/zinc/70/20/36/775702036.db2.gz KRKCFJOREUPVJL-UONOGXRCSA-N 0 1 252.402 2.579 20 30 CFEDMN CC#CCN1C[C@@H]2CCN(C(=O)CC3CCCCC3)[C@@H]2C1 ZINC001075529198 775704299 /nfs/dbraw/zinc/70/42/99/775704299.db2.gz QYJCMPCLZGNQSG-DLBZAZTESA-N 0 1 288.435 2.513 20 30 CFEDMN CC#CCN1CCC(NC(=O)[C@@H](CC)CCCC)CC1 ZINC001226203554 775737151 /nfs/dbraw/zinc/73/71/51/775737151.db2.gz JJDAEZREAZIHPP-HNNXBMFYSA-N 0 1 278.440 2.807 20 30 CFEDMN N#C[C@H]1CN(Cc2ccc(-c3ccccn3)s2)CCC1=O ZINC001141002117 775744735 /nfs/dbraw/zinc/74/47/35/775744735.db2.gz MDACZTSVRYDQNT-LBPRGKRZSA-N 0 1 297.383 2.725 20 30 CFEDMN C=CCC1(C(=O)NC2CN(C[C@@H](C)CC)C2)CCC1 ZINC001267659405 775757601 /nfs/dbraw/zinc/75/76/01/775757601.db2.gz SZNNSPQLHHXGDQ-ZDUSSCGKSA-N 0 1 264.413 2.579 20 30 CFEDMN C=CCC[C@@H](C)N1CC(NC(=O)CCc2ccccc2)C1 ZINC001267668166 775765427 /nfs/dbraw/zinc/76/54/27/775765427.db2.gz ZEGOKRJYLGEAJY-OAHLLOKOSA-N 0 1 286.419 2.774 20 30 CFEDMN C=CCCCCCN1C[C@@H]2C[C@H]1CN2C(=O)[C@H](F)CC ZINC001267711307 775799199 /nfs/dbraw/zinc/79/91/99/775799199.db2.gz RFDNAJFIIWOKGM-SOUVJXGZSA-N 0 1 282.403 2.766 20 30 CFEDMN C=CCN1CC[C@@H](NC(=O)CCCc2sccc2C)C1 ZINC001267751978 775880343 /nfs/dbraw/zinc/88/03/43/775880343.db2.gz PWXDRMMULRGLPI-CQSZACIVSA-N 0 1 292.448 2.756 20 30 CFEDMN C=C(C)C(=O)OC[C@@H](C)Oc1nc2ccc(F)cc2[nH]1 ZINC001226701155 775928371 /nfs/dbraw/zinc/92/83/71/775928371.db2.gz LKSFVOLWAMQVKX-SECBINFHSA-N 0 1 278.283 2.589 20 30 CFEDMN C#CCN1CC[C@@H](N(CC)C(=O)CCC2CCCCC2)C1 ZINC001267790557 775933418 /nfs/dbraw/zinc/93/34/18/775933418.db2.gz RBOUAHNOQQPQFW-QGZVFWFLSA-N 0 1 290.451 2.903 20 30 CFEDMN C#CCCCCC(=O)NC1CCN(C/C=C/Cl)CC1 ZINC001226961995 776036940 /nfs/dbraw/zinc/03/69/40/776036940.db2.gz WALMZWBSYUVVAU-UXBLZVDNSA-N 0 1 282.815 2.513 20 30 CFEDMN CC(C)[N@H+]1CCC[C@H](Oc2cc(C#N)ccc2F)C1 ZINC001227058201 776078586 /nfs/dbraw/zinc/07/85/86/776078586.db2.gz NOWPGIDUGRQPJS-ZDUSSCGKSA-N 0 1 262.328 2.949 20 30 CFEDMN C[N@H+]1CCC[C@H](Oc2ccc(C#N)c(Cl)c2)C1 ZINC001227204891 776136858 /nfs/dbraw/zinc/13/68/58/776136858.db2.gz ZDMBJIOUONZPBA-LBPRGKRZSA-N 0 1 250.729 2.685 20 30 CFEDMN C[C@H](Oc1nc2ccc(C#N)cc2[nH]1)c1ccccn1 ZINC001227216439 776141799 /nfs/dbraw/zinc/14/17/99/776141799.db2.gz RYJLJGIYGKZRJP-JTQLQIEISA-N 0 1 264.288 2.970 20 30 CFEDMN COC(=O)[C@@H]1CCC[C@H](Oc2nc3ccc(C#N)cc3[nH]2)C1 ZINC001227219478 776142219 /nfs/dbraw/zinc/14/22/19/776142219.db2.gz LJJJXTZPJOHCNU-NEPJUHHUSA-N 0 1 299.330 2.545 20 30 CFEDMN C#C[C@H](Oc1nc2ccc(C#N)cc2[nH]1)c1ccncc1 ZINC001227221296 776144113 /nfs/dbraw/zinc/14/41/13/776144113.db2.gz XKUADPAFIIIZTO-HNNXBMFYSA-N 0 1 274.283 2.583 20 30 CFEDMN N#CC(C(=O)CCC1CCCCC1)C(=O)N1CCCC1 ZINC000124439178 776209484 /nfs/dbraw/zinc/20/94/84/776209484.db2.gz VUNYTPBPJRCJCS-CQSZACIVSA-N 0 1 276.380 2.678 20 30 CFEDMN CCCCCCCC(=O)C(C#N)C(=O)N1CCCC1 ZINC000124665611 776213780 /nfs/dbraw/zinc/21/37/80/776213780.db2.gz QMAPAWUVEKYZAW-CYBMUJFWSA-N 0 1 264.369 2.678 20 30 CFEDMN CCCCCCCCCN1CCc2c([nH]nc2C(N)=O)C1 ZINC001277232935 776262991 /nfs/dbraw/zinc/26/29/91/776262991.db2.gz FNHFAGUOODEDLI-UHFFFAOYSA-N 0 1 292.427 2.617 20 30 CFEDMN C=C1O[C@H](C)C(=O)C1Oc1cc(F)c(OC)c(F)c1 ZINC001227873696 776314946 /nfs/dbraw/zinc/31/49/46/776314946.db2.gz OJNURQVXZGDWCO-ZCFIWIBFSA-N 0 1 270.231 2.572 20 30 CFEDMN C=C1O[C@@H](C)C(=O)C1Oc1c(F)cc(OC)cc1F ZINC001227894924 776320045 /nfs/dbraw/zinc/32/00/45/776320045.db2.gz JYFUFANLJZYDEL-LURJTMIESA-N 0 1 270.231 2.572 20 30 CFEDMN C=CCc1ccc(O[C@@H]2CC[N@H+](CC)C2)c(OC)c1 ZINC001227926916 776331763 /nfs/dbraw/zinc/33/17/63/776331763.db2.gz LWQLTFBJEZETIS-CQSZACIVSA-N 0 1 261.365 2.897 20 30 CFEDMN C=C1O[C@H](C)C(=O)C1Oc1ccc(C(=O)OC)c(Cl)c1 ZINC001227936638 776333827 /nfs/dbraw/zinc/33/38/27/776333827.db2.gz KOZAEMGXOGGZBR-SSDOTTSWSA-N 0 1 296.706 2.725 20 30 CFEDMN C=C(C)C(C)(C)C(=O)N[C@@H](C)CCCNCc1ccon1 ZINC001277265284 776379994 /nfs/dbraw/zinc/37/99/94/776379994.db2.gz XLHNMFLSCSSJQU-ZDUSSCGKSA-N 0 1 293.411 2.651 20 30 CFEDMN C=C(C)CC[N@H+]1CCC[C@@H]1CNC(=O)c1ccccc1O ZINC001027760854 776444394 /nfs/dbraw/zinc/44/43/94/776444394.db2.gz BAPBURJIQFXAQT-CQSZACIVSA-N 0 1 288.391 2.553 20 30 CFEDMN CC#CCN1CCC[C@@H]1CNC(=O)[C@@H]1CCC(C)=C(C)C1 ZINC001027904252 776502281 /nfs/dbraw/zinc/50/22/81/776502281.db2.gz SNONYPZISHKYHA-IAGOWNOFSA-N 0 1 288.435 2.727 20 30 CFEDMN C#C[C@@H](CCCCC)Oc1[nH]c(=O)ncc1Cl ZINC001228479235 776503107 /nfs/dbraw/zinc/50/31/07/776503107.db2.gz BUUYBRMDFSJXQH-VIFPVBQESA-N 0 1 254.717 2.797 20 30 CFEDMN C#C[C@H](CCCC)Oc1nc(Cl)nc2nc[nH]c21 ZINC001228506986 776508013 /nfs/dbraw/zinc/50/80/13/776508013.db2.gz BSLLSTBZTDQBEO-MRVPVSSYSA-N 0 1 264.716 2.577 20 30 CFEDMN C=C[C@H](CCC)Oc1nc(Cl)nc2nc[nH]c21 ZINC001228510786 776509366 /nfs/dbraw/zinc/50/93/66/776509366.db2.gz XFRBXIPSGNAJEG-SSDOTTSWSA-N 0 1 252.705 2.740 20 30 CFEDMN C=CCN1CCC[C@@H]1CNC(=O)c1ccc(C(C)C)nc1 ZINC001027932372 776517429 /nfs/dbraw/zinc/51/74/29/776517429.db2.gz WTGWMNOWAVSUDA-OAHLLOKOSA-N 0 1 287.407 2.585 20 30 CFEDMN C#CCN1CCC[C@H]1CNC(=O)c1ccccc1C(C)(C)C ZINC001027956731 776525331 /nfs/dbraw/zinc/52/53/31/776525331.db2.gz NRYGWARTUTZDEL-HNNXBMFYSA-N 0 1 298.430 2.812 20 30 CFEDMN C=C(Cl)CNC[C@H](C)N(C)C(=O)[C@@H]1C[C@@H]2C=C[C@H]1CC2 ZINC001268065072 776534064 /nfs/dbraw/zinc/53/40/64/776534064.db2.gz WEMHSCNZGTVUIW-LJISPDSOSA-N 0 1 296.842 2.778 20 30 CFEDMN CCCc1cc(C)nc(O[C@H]2CN3CCC2CC3)c1C#N ZINC001228600113 776535824 /nfs/dbraw/zinc/53/58/24/776535824.db2.gz WUERGKUDANCYNO-INIZCTEOSA-N 0 1 285.391 2.687 20 30 CFEDMN CCCc1cc(C)nc(O[C@@H]2CN3CCC2CC3)c1C#N ZINC001228600114 776535955 /nfs/dbraw/zinc/53/59/55/776535955.db2.gz WUERGKUDANCYNO-MRXNPFEDSA-N 0 1 285.391 2.687 20 30 CFEDMN C=C(C)CN1CCC[C@H]1CNC(=O)c1nc(Cl)cs1 ZINC001028097542 776616821 /nfs/dbraw/zinc/61/68/21/776616821.db2.gz WXPYBKIZNXFVLU-JTQLQIEISA-N 0 1 299.827 2.567 20 30 CFEDMN C=CC[C@@H](C=C)Oc1cc(O)c(C(=O)OC)cc1[N+](=O)[O-] ZINC001228814427 776620797 /nfs/dbraw/zinc/62/07/97/776620797.db2.gz NRDSMJOWQBJZRG-SECBINFHSA-N 0 1 293.275 2.597 20 30 CFEDMN C=CCc1ccccc1O[C@H]1C[C@@H]2CC(=O)C[C@H]1N2C ZINC001228843800 776632191 /nfs/dbraw/zinc/63/21/91/776632191.db2.gz IKCHACDVYNNSBC-LXZKKBNFSA-N 0 1 271.360 2.598 20 30 CFEDMN C=CCN1CC[C@H](c2ccccc2)[C@H](NC(=O)[C@@H]2C[C@H]2C)C1 ZINC001087434313 776635718 /nfs/dbraw/zinc/63/57/18/776635718.db2.gz GNMZAKGEFHJPAW-VDHUWJSZSA-N 0 1 298.430 2.803 20 30 CFEDMN C=C[C@H](C)Oc1[nH]c(=O)nc2ccc(Cl)cc21 ZINC001228911081 776654862 /nfs/dbraw/zinc/65/48/62/776654862.db2.gz AAOXLEPJAODFQN-ZETCQYMHSA-N 0 1 250.685 2.942 20 30 CFEDMN C=C1O[C@@H](CC)C(=O)C1Oc1ccc([N+](=O)[O-])c(Cl)n1 ZINC001228938543 776663037 /nfs/dbraw/zinc/66/30/37/776663037.db2.gz QQHQSYNZMIIGET-QMMMGPOBSA-N 0 1 298.682 2.631 20 30 CFEDMN N#C[C@H](Oc1nnc2c[nH]ccc1-2)c1ccccc1 ZINC001228990581 776681506 /nfs/dbraw/zinc/68/15/06/776681506.db2.gz QXIJJXGIKXYONQ-ZDUSSCGKSA-N 0 1 250.261 2.602 20 30 CFEDMN CC#CCN1CCC[C@@H]1CNC(=O)c1csc(Cl)c1 ZINC001028180466 776681994 /nfs/dbraw/zinc/68/19/94/776681994.db2.gz BYNJBKPMPBJQGX-GFCCVEGCSA-N 0 1 296.823 2.619 20 30 CFEDMN CN(C/C=C/c1ccccc1)CCN(C)C(=O)C#CC1CC1 ZINC001268237507 776715043 /nfs/dbraw/zinc/71/50/43/776715043.db2.gz LDWOVDOJXDFRPV-RMKNXTFCSA-N 0 1 296.414 2.503 20 30 CFEDMN CC#CCN(C)CCN(C)C(=O)c1ccc(CCC)cc1 ZINC001268248278 776720208 /nfs/dbraw/zinc/72/02/08/776720208.db2.gz WLJRAJFIMRQMND-UHFFFAOYSA-N 0 1 286.419 2.666 20 30 CFEDMN C#CCN1CCC[C@@H]1CNC(=O)c1ccc(C(C)(C)C)cc1 ZINC001028279426 776795379 /nfs/dbraw/zinc/79/53/79/776795379.db2.gz NAHZITUUEIPAGF-QGZVFWFLSA-N 0 1 298.430 2.812 20 30 CFEDMN C=CCN1CCC[C@@H]1CNC(=O)c1c(F)cccc1Cl ZINC001028281134 776803673 /nfs/dbraw/zinc/80/36/73/776803673.db2.gz FAKCCLGZRDGAQP-LLVKDONJSA-N 0 1 296.773 2.859 20 30 CFEDMN C=CCN1CCC[C@@H]1CNC(=O)c1cc2[nH]ccc2s1 ZINC001028282987 776812241 /nfs/dbraw/zinc/81/22/41/776812241.db2.gz SGCNDIYHLACKIH-LLVKDONJSA-N 0 1 289.404 2.610 20 30 CFEDMN C=C(C)C(C)(C)C(=O)N(CC)CCNCC(=C)Cl ZINC001268469236 776853813 /nfs/dbraw/zinc/85/38/13/776853813.db2.gz IYWGAYHUMQBVHE-UHFFFAOYSA-N 0 1 272.820 2.779 20 30 CFEDMN C#CCCCC(=O)NCCN[C@H](C)c1cc(F)ccc1F ZINC001126356199 776856080 /nfs/dbraw/zinc/85/60/80/776856080.db2.gz LVDPHCDUKICLTJ-GFCCVEGCSA-N 0 1 294.345 2.535 20 30 CFEDMN C=CC[N@H+]1CCC[C@H]1CNC(=O)[C@@H]1CC2CCC1CC2 ZINC001028334529 776859926 /nfs/dbraw/zinc/85/99/26/776859926.db2.gz CFGFABSJEMPZJI-SSHXOBKSSA-N 0 1 276.424 2.579 20 30 CFEDMN CC#CCN1CCC[C@@H]1CNC(=O)[C@H]1CCCCC1(C)C ZINC001028339742 776863093 /nfs/dbraw/zinc/86/30/93/776863093.db2.gz BPVSKVHCRNZXPP-HZPDHXFCSA-N 0 1 290.451 2.807 20 30 CFEDMN C#CC(C#C)Oc1ccc2c(c1)oc(=O)c1cc(O)ccc12 ZINC001229797616 776893620 /nfs/dbraw/zinc/89/36/20/776893620.db2.gz IDYJCLWXMAHWIM-UHFFFAOYSA-N 0 1 290.274 2.666 20 30 CFEDMN C=C[C@H](C#CC(C)(C)C)Oc1nc[nH]c(=O)c1Cl ZINC001230015735 776939669 /nfs/dbraw/zinc/93/96/69/776939669.db2.gz BAAROGYRRCWTEX-SECBINFHSA-N 0 1 266.728 2.819 20 30 CFEDMN C[C@@H](CC(C)(C)S)Oc1nc[nH]c(=O)c1Cl ZINC001230016335 776940034 /nfs/dbraw/zinc/94/00/34/776940034.db2.gz GOYVPXBMDNHDBI-LURJTMIESA-N 0 1 262.762 2.701 20 30 CFEDMN C=C(Cl)CNC[C@@H](C)NC(=O)C(C)(CC)CC ZINC001268675202 777017821 /nfs/dbraw/zinc/01/78/21/777017821.db2.gz SKMSBEDMQRSEBD-LLVKDONJSA-N 0 1 260.809 2.660 20 30 CFEDMN C#C[C@H]1CCC[C@@H]1Oc1cc2[nH]ncc2cc1[N+](=O)[O-] ZINC001230600151 777022996 /nfs/dbraw/zinc/02/29/96/777022996.db2.gz CGENNKOJTAYRNS-ZANVPECISA-N 0 1 271.276 2.652 20 30 CFEDMN C=CCC(C)(C)C(=O)N[C@@H](C)CNCc1ccccc1C#N ZINC001268705377 777026434 /nfs/dbraw/zinc/02/64/34/777026434.db2.gz GSWBYLPEONYCNU-AWEZNQCLSA-N 0 1 299.418 2.755 20 30 CFEDMN C=CCC(C)(C)C(=O)N[C@H](C)CN(C)Cc1cccnc1 ZINC001268748878 777043795 /nfs/dbraw/zinc/04/37/95/777043795.db2.gz MURXQROYMFLGPR-CQSZACIVSA-N 0 1 289.423 2.620 20 30 CFEDMN C=CCN(CCCNC(=O)C1=CCCC1)Cc1cccnc1 ZINC001230731822 777053199 /nfs/dbraw/zinc/05/31/99/777053199.db2.gz PCNCDNSGLJTQKD-UHFFFAOYSA-N 0 1 299.418 2.686 20 30 CFEDMN C=C(C)CN1CC[C@H]1CN(C)C(=O)C(CC)CC ZINC001230834780 777073972 /nfs/dbraw/zinc/07/39/72/777073972.db2.gz LZNQJBNUTDJQPB-AWEZNQCLSA-N 0 1 252.402 2.531 20 30 CFEDMN C#CCCCC(=O)N1C[C@@H]2C[C@H]1CN2Cc1ccc(C)cc1 ZINC001268939300 777075847 /nfs/dbraw/zinc/07/58/47/777075847.db2.gz FHSXBIPLRRIRRY-ROUUACIJSA-N 0 1 296.414 2.584 20 30 CFEDMN CCC#CC(=O)N1CC2(CCN2C[C@H](CC)CCCC)C1 ZINC001268951642 777077422 /nfs/dbraw/zinc/07/74/22/777077422.db2.gz YUJBWUJCKIBRCY-MRXNPFEDSA-N 0 1 290.451 2.903 20 30 CFEDMN C=CCN(CCCNC(=O)C(C)(C)C)Cc1cccnc1 ZINC001230906273 777089374 /nfs/dbraw/zinc/08/93/74/777089374.db2.gz QDMHEHROCPLSHH-UHFFFAOYSA-N 0 1 289.423 2.622 20 30 CFEDMN C=CCC(C)(C)C(=O)N[C@@H](CNCC(=C)Cl)C1CC1 ZINC001269120283 777104670 /nfs/dbraw/zinc/10/46/70/777104670.db2.gz JTMKWFPZPXKQBQ-ZDUSSCGKSA-N 0 1 284.831 2.826 20 30 CFEDMN C=CC[C@H](Oc1nc(Cl)nc2[nH]ncc21)C(C)C ZINC001231049295 777124944 /nfs/dbraw/zinc/12/49/44/777124944.db2.gz ZKJXFVHIZCXFTO-VIFPVBQESA-N 0 1 266.732 2.986 20 30 CFEDMN C=CC[C@H](C=C)Oc1[nH]c(=O)nc2cccc(F)c21 ZINC001231074639 777132976 /nfs/dbraw/zinc/13/29/76/777132976.db2.gz QIAGSEQQRMVQLZ-VIFPVBQESA-N 0 1 260.268 2.984 20 30 CFEDMN C=CCCC(=O)NC[C@@H]1CCN1Cc1cccc(C)c1 ZINC001269206209 777138687 /nfs/dbraw/zinc/13/86/87/777138687.db2.gz SVRRKXNAPBHXCQ-INIZCTEOSA-N 0 1 272.392 2.652 20 30 CFEDMN C=CCCC(=O)N(C)[C@@H]1CCN(Cc2cccc(F)c2)C1 ZINC001269221397 777142634 /nfs/dbraw/zinc/14/26/34/777142634.db2.gz JQHGGQNHMZPZSG-MRXNPFEDSA-N 0 1 290.382 2.825 20 30 CFEDMN C=CCN1CC[C@H](N(CC)C(=O)[C@H](F)c2ccccc2)C1 ZINC001269344048 777175082 /nfs/dbraw/zinc/17/50/82/777175082.db2.gz ABVFWNQQBZREIA-JKSUJKDBSA-N 0 1 290.382 2.806 20 30 CFEDMN C#CCCN1CC[C@H]1CNC(=O)CCCC1CCCC1 ZINC001269350893 777177185 /nfs/dbraw/zinc/17/71/85/777177185.db2.gz LFNGBGGJIZZTDE-INIZCTEOSA-N 0 1 276.424 2.561 20 30 CFEDMN C=C(Cl)CN[C@@H](CC)CNC(=O)C[C@@H]1C=CCCC1 ZINC001269426544 777188378 /nfs/dbraw/zinc/18/83/78/777188378.db2.gz ZNSZNILSKUYNBO-KGLIPLIRSA-N 0 1 284.831 2.970 20 30 CFEDMN C=C[C@H](CC)Oc1[nH]c(=O)nc2c(OC)cccc12 ZINC001231350157 777198090 /nfs/dbraw/zinc/19/80/90/777198090.db2.gz RJRNURFPJFGUQR-SECBINFHSA-N 0 1 260.293 2.687 20 30 CFEDMN CC#C[C@H](CC)Oc1[nH]c(=O)nc2c(OC)cccc21 ZINC001231347824 777198336 /nfs/dbraw/zinc/19/83/36/777198336.db2.gz SZQBQZSTKQXHRY-JTQLQIEISA-N 0 1 272.304 2.525 20 30 CFEDMN C=C(C)CN1CC[C@H]2CC[C@@H](C1)N2C(=O)CSCCC ZINC001269583351 777215976 /nfs/dbraw/zinc/21/59/76/777215976.db2.gz IMXRFLMZUSTNPE-CABCVRRESA-N 0 1 296.480 2.771 20 30 CFEDMN C=C1CCC(C(=O)NC[C@@H]2CCN(C/C=C/Cl)C2)CC1 ZINC001028779252 777242762 /nfs/dbraw/zinc/24/27/62/777242762.db2.gz XNTAVHNERWVOFK-LPSTVZDBSA-N 0 1 296.842 2.923 20 30 CFEDMN C=CCCCN1CC(N(C)C(=O)[C@H]2[C@@H]3CCCC[C@@H]32)C1 ZINC001269768955 777246283 /nfs/dbraw/zinc/24/62/83/777246283.db2.gz SWWBNFMYGLGHNS-ZSHCYNCHSA-N 0 1 276.424 2.531 20 30 CFEDMN C=CCC[C@@H](C)N1CC(N(C)C(=O)Cc2ccccc2)C1 ZINC001269812581 777252453 /nfs/dbraw/zinc/25/24/53/777252453.db2.gz LGCJBZZVKZILMP-OAHLLOKOSA-N 0 1 286.419 2.726 20 30 CFEDMN C#C[C@H]1CCCN(Cc2ccc(OC(C)C)nc2)C1 ZINC001231536330 777256021 /nfs/dbraw/zinc/25/60/21/777256021.db2.gz QRGKVKWBOGRGQA-AWEZNQCLSA-N 0 1 258.365 2.714 20 30 CFEDMN C#CCN(C)Cc1ccc(OCCCOC)c(OCC)c1 ZINC001231546525 777257322 /nfs/dbraw/zinc/25/73/22/777257322.db2.gz ALIFKLFBZHPCGQ-UHFFFAOYSA-N 0 1 291.391 2.566 20 30 CFEDMN C=CCN(C)Cc1[nH]nc2cc(Br)ccc21 ZINC001231613354 777280521 /nfs/dbraw/zinc/28/05/21/777280521.db2.gz NGFKMXTVNQWDGO-UHFFFAOYSA-N 0 1 280.169 2.943 20 30 CFEDMN COc1cc(C#N)ccc1CN1CC[C@@H]2CCCO[C@@H]2C1 ZINC001231616767 777281064 /nfs/dbraw/zinc/28/10/64/777281064.db2.gz KJASOZQIDVEKCO-WMLDXEAASA-N 0 1 286.375 2.568 20 30 CFEDMN COc1cc(CN(CCC#N)C2CCCC2)c(O)cc1O ZINC001231636097 777287488 /nfs/dbraw/zinc/28/74/88/777287488.db2.gz JVIKWKGQBRVAIF-UHFFFAOYSA-N 0 1 290.363 2.765 20 30 CFEDMN C#Cc1cccc(CN2CCN(C)c3ncccc3C2)c1 ZINC001231656654 777296400 /nfs/dbraw/zinc/29/64/00/777296400.db2.gz CRXLBYJYTRTWGH-UHFFFAOYSA-N 0 1 277.371 2.515 20 30 CFEDMN C#Cc1cccc(CN2CCN(c3ncccc3C)CC2)c1 ZINC001231657029 777296962 /nfs/dbraw/zinc/29/69/62/777296962.db2.gz VOSKUNYYFDQKRB-UHFFFAOYSA-N 0 1 291.398 2.694 20 30 CFEDMN C#Cc1cccc(CN2CCCC[C@@H]2C(=O)N2CCCC2)c1 ZINC001231659897 777298849 /nfs/dbraw/zinc/29/88/49/777298849.db2.gz WPLLEAFERXXHFK-GOSISDBHSA-N 0 1 296.414 2.645 20 30 CFEDMN C=C1O[C@H](C)C(=O)C1Oc1cc(F)c(F)c(F)c1 ZINC001225911643 777334098 /nfs/dbraw/zinc/33/40/98/777334098.db2.gz RWVVXQSZEXOBPW-RXMQYKEDSA-N 0 1 258.195 2.702 20 30 CFEDMN N#C[C@H]1CCN(Cc2ccc3ccccc3c2O)C1 ZINC001231880855 777365079 /nfs/dbraw/zinc/36/50/79/777365079.db2.gz LWDGBJBNQJLIBP-GFCCVEGCSA-N 0 1 252.317 2.891 20 30 CFEDMN N#C[C@H]1CCCN(Cc2cccc3c2OCCO3)CC1 ZINC001231885876 777366922 /nfs/dbraw/zinc/36/69/22/777366922.db2.gz RKYLQBFENPEXJU-ZDUSSCGKSA-N 0 1 272.348 2.583 20 30 CFEDMN C=CCCN1CC(N(C)C(=O)CC2(C)CCCC2)C1 ZINC001277585940 777380629 /nfs/dbraw/zinc/38/06/29/777380629.db2.gz KXJJAJDSZIQAPA-UHFFFAOYSA-N 0 1 264.413 2.676 20 30 CFEDMN CC1(C#N)CCN(Cc2cc3ncccc3[nH]2)CC1 ZINC001232064939 777426965 /nfs/dbraw/zinc/42/69/65/777426965.db2.gz IMZIWLXNDUTJNN-UHFFFAOYSA-N 0 1 254.337 2.689 20 30 CFEDMN N#Cc1ccc(CN2CCCC[C@@H](O)C2)cc1Cl ZINC001232111186 777443172 /nfs/dbraw/zinc/44/31/72/777443172.db2.gz BFOWUEGPKVKRBO-CYBMUJFWSA-N 0 1 264.756 2.558 20 30 CFEDMN C=C(Cl)CNC[C@@H](C1CC1)N(C)C(=O)[C@H]1CC=CCC1 ZINC001277615054 777444220 /nfs/dbraw/zinc/44/42/20/777444220.db2.gz HZFGDIVXLIIBOW-GJZGRUSLSA-N 0 1 296.842 2.922 20 30 CFEDMN C=CCN1CC[C@H](NC(=O)c2cccs2)[C@H]1CC ZINC001087491275 777501669 /nfs/dbraw/zinc/50/16/69/777501669.db2.gz ORBOTNGICGNLJX-NWDGAFQWSA-N 0 1 264.394 2.517 20 30 CFEDMN C=CCN1CC[C@H](NC(=O)c2ccc(Cl)o2)[C@H]1CC ZINC001087503212 777541647 /nfs/dbraw/zinc/54/16/47/777541647.db2.gz WIORGQVFSUBRIB-WDEREUQCSA-N 0 1 282.771 2.702 20 30 CFEDMN C=CCCCN1CC(N(C)C(=O)c2cccc3[nH]ccc32)C1 ZINC001277665819 777563363 /nfs/dbraw/zinc/56/33/63/777563363.db2.gz FPCDKTREVXABBP-UHFFFAOYSA-N 0 1 297.402 2.890 20 30 CFEDMN N#Cc1ccnc(CN2CCC[C@@H](c3ccccn3)C2)c1 ZINC001232479935 777576532 /nfs/dbraw/zinc/57/65/32/777576532.db2.gz BOWHVFPSBQEMNQ-OAHLLOKOSA-N 0 1 278.359 2.728 20 30 CFEDMN C[N@@H+](Cc1cccc(C#N)c1)Cc1cc(C#N)ccc1[O-] ZINC001232678418 777638124 /nfs/dbraw/zinc/63/81/24/777638124.db2.gz YLCNFOOZMCZSLV-UHFFFAOYSA-N 0 1 277.327 2.768 20 30 CFEDMN N#Cc1ccc([O-])c(C[N@H+]2CCC[C@@H]2c2ccccn2)c1 ZINC001232677963 777638276 /nfs/dbraw/zinc/63/82/76/777638276.db2.gz MWZUVMJUDLPDOE-MRXNPFEDSA-N 0 1 279.343 2.996 20 30 CFEDMN C=CCC[C@H](C)N1CC(N(C)C(=O)C[C@H](C)C2CC2)C1 ZINC001277706581 777648705 /nfs/dbraw/zinc/64/87/05/777648705.db2.gz AQBUAJJTKRUVIO-KBPBESRZSA-N 0 1 278.440 2.920 20 30 CFEDMN C=CCN1CC[C@H](NC(=O)c2coc(C(F)F)c2)[C@H]1CC ZINC001087703411 777682439 /nfs/dbraw/zinc/68/24/39/777682439.db2.gz UPXZINKNIPYBBX-NWDGAFQWSA-N 0 1 298.333 2.986 20 30 CFEDMN CC(C)(O)c1ccc(C[N@@H+]2[C@@H]3CC[C@H]2C[C@H](C#N)C3)cn1 ZINC001232831496 777686079 /nfs/dbraw/zinc/68/60/79/777686079.db2.gz RKUOZOGHCCGJFY-QKDCVEJESA-N 0 1 285.391 2.576 20 30 CFEDMN CC(C)(O)c1ccc(CN2[C@@H]3CC[C@H]2C[C@H](C#N)C3)cn1 ZINC001232831496 777686082 /nfs/dbraw/zinc/68/60/82/777686082.db2.gz RKUOZOGHCCGJFY-QKDCVEJESA-N 0 1 285.391 2.576 20 30 CFEDMN C#CCN1CC[C@H](NC(=O)c2csc(Cl)c2)[C@H]1CC ZINC001087748866 777692617 /nfs/dbraw/zinc/69/26/17/777692617.db2.gz GCEHEXUMRMTMCS-NWDGAFQWSA-N 0 1 296.823 2.617 20 30 CFEDMN N#C[C@H]1CN(Cc2ccc(F)c(F)c2Cl)CCC1=O ZINC001232877194 777702083 /nfs/dbraw/zinc/70/20/83/777702083.db2.gz DJLCHURWGCFHAS-VIFPVBQESA-N 0 1 284.693 2.533 20 30 CFEDMN C#CCN1CC[C@H](NC(=O)c2c(C)cc(C)cc2C)[C@H]1CC ZINC001087820720 777707635 /nfs/dbraw/zinc/70/76/35/777707635.db2.gz TZMMAJQBQMGDAC-DLBZAZTESA-N 0 1 298.430 2.828 20 30 CFEDMN C#CCN1CC[C@H](NC(=O)C(C)(C)c2ccccc2)[C@H]1CC ZINC001087821000 777707900 /nfs/dbraw/zinc/70/79/00/777707900.db2.gz JXNNXYRYZPOUFT-DLBZAZTESA-N 0 1 298.430 2.567 20 30 CFEDMN C[C@@H]1CCN(Cc2cc(F)ccc2C#N)CC[C@@]1(C)O ZINC001232889003 777708783 /nfs/dbraw/zinc/70/87/83/777708783.db2.gz YQMZHFLMVSXYQA-MLGOLLRUSA-N 0 1 276.355 2.680 20 30 CFEDMN COC[C@@]12CCC[C@@H]1CN(Cc1cc(F)ccc1C#N)C2 ZINC001232891098 777710019 /nfs/dbraw/zinc/71/00/19/777710019.db2.gz FPQHGDOQRRTIMK-WBVHZDCISA-N 0 1 288.366 2.946 20 30 CFEDMN CC1(C#N)CCN(Cc2ccc3ncoc3c2)CC1 ZINC001232945598 777732789 /nfs/dbraw/zinc/73/27/89/777732789.db2.gz YOZVFESDZAZOPF-UHFFFAOYSA-N 0 1 255.321 2.953 20 30 CFEDMN N#C[C@@H]1C[C@H]2CC[C@@H](C1)N2Cc1ccc(OC(F)F)nc1 ZINC001232954774 777737735 /nfs/dbraw/zinc/73/77/35/777737735.db2.gz HVCDISXGLLEHHO-XYYAHUGASA-N 0 1 293.317 2.950 20 30 CFEDMN Cc1ccc(CN2CCC[C@](F)(CO)CC2)c(C#N)c1 ZINC001232963407 777741104 /nfs/dbraw/zinc/74/11/04/777741104.db2.gz GLKABFJPUXVXNZ-MRXNPFEDSA-N 0 1 276.355 2.553 20 30 CFEDMN Cc1ccc(CN2C[C@@H]3CCCC(=O)[C@H]3C2)c(C#N)c1 ZINC001232969500 777745092 /nfs/dbraw/zinc/74/50/92/777745092.db2.gz QQDSWQNKFAQHFL-HOCLYGCPSA-N 0 1 268.360 2.668 20 30 CFEDMN C=C1O[C@@H](C)C(=O)C1Oc1ccc(C#N)c(Cl)c1 ZINC001227204010 777788892 /nfs/dbraw/zinc/78/88/92/777788892.db2.gz FLNBXWHFRRCSGJ-ZETCQYMHSA-N 0 1 263.680 2.810 20 30 CFEDMN CSc1nc(CN2CCC[C@H](C)C2)ccc1C#N ZINC001141929625 777791593 /nfs/dbraw/zinc/79/15/93/777791593.db2.gz YRYAIGARVFUXBB-NSHDSACASA-N 0 1 261.394 2.907 20 30 CFEDMN CC1(C#N)CCN(Cc2n[nH]c3cc(F)ccc23)CC1 ZINC001233123655 777801198 /nfs/dbraw/zinc/80/11/98/777801198.db2.gz AJCWJEQZIJXQRO-UHFFFAOYSA-N 0 1 272.327 2.828 20 30 CFEDMN CC[C@H]1OC(C)=C(OCC(=O)c2cccc(OC)c2)C1=O ZINC001204781741 777846539 /nfs/dbraw/zinc/84/65/39/777846539.db2.gz FFEANOMYWUMBGY-CQSZACIVSA-N 0 1 290.315 2.504 20 30 CFEDMN C#C[C@H]1CCC[N@H+](Cc2c([O-])ccc(F)c2F)C1 ZINC001233335474 777895095 /nfs/dbraw/zinc/89/50/95/777895095.db2.gz WTNDDONOMXFPCG-JTQLQIEISA-N 0 1 251.276 2.516 20 30 CFEDMN N#Cc1ccc(C[N@H+]2CC[C@@H](c3ccccn3)C2)c([O-])c1 ZINC001233386011 777926667 /nfs/dbraw/zinc/92/66/67/777926667.db2.gz BCSXGNIHADFJQH-CQSZACIVSA-N 0 1 279.343 2.648 20 30 CFEDMN C=CCN1CCc2c(CNC(=O)C=C(C)C)cccc2C1 ZINC001280424335 777981065 /nfs/dbraw/zinc/98/10/65/777981065.db2.gz MASHMUGDWYBRSZ-UHFFFAOYSA-N 0 1 284.403 2.813 20 30 CFEDMN C=CCN1CC[C@@H]1CN(C)C(=O)C(C)=C1CCCC1 ZINC001233580866 777998072 /nfs/dbraw/zinc/99/80/72/777998072.db2.gz OJPYUDFWFRUOAD-OAHLLOKOSA-N 0 1 262.397 2.596 20 30 CFEDMN C=C(C)CN1CC[C@H]1CN(C)C(=O)C[C@@H](C)CC ZINC001233923412 778114637 /nfs/dbraw/zinc/11/46/37/778114637.db2.gz BMEABHFOKWNLAY-KBPBESRZSA-N 0 1 252.402 2.531 20 30 CFEDMN N#CC[C@@H](Oc1[nH]c(=O)ncc1Cl)c1ccccc1 ZINC001228483766 778130489 /nfs/dbraw/zinc/13/04/89/778130489.db2.gz XKDAKCYJTPZPCA-LLVKDONJSA-N 0 1 275.695 2.869 20 30 CFEDMN C=C(C)C[N@@H+]1CC[C@@H]1CN(C)C(=O)[C@H](C)CCCC ZINC001234040185 778147005 /nfs/dbraw/zinc/14/70/05/778147005.db2.gz UOSHBUVTCLBEDA-HUUCEWRRSA-N 0 1 266.429 2.922 20 30 CFEDMN C=C(C)CN1CC[C@@H]1CN(C)C(=O)[C@H](C)CCCC ZINC001234040185 778147013 /nfs/dbraw/zinc/14/70/13/778147013.db2.gz UOSHBUVTCLBEDA-HUUCEWRRSA-N 0 1 266.429 2.922 20 30 CFEDMN CCCCC(=O)NCCCN(C)Cc1ccc(C#N)s1 ZINC001234041692 778148895 /nfs/dbraw/zinc/14/88/95/778148895.db2.gz HPGQIFZFQYGJEM-UHFFFAOYSA-N 0 1 293.436 2.748 20 30 CFEDMN C[C@@H]1CCCN(Cc2ccc(F)cc2C#N)[C@@H]1CCO ZINC000697208615 778150083 /nfs/dbraw/zinc/15/00/83/778150083.db2.gz QNOPJIUGGWVFDE-MLGOLLRUSA-N 0 1 276.355 2.680 20 30 CFEDMN CC(C)C#CC(=O)N(C)C[C@H]1CCN1CC1=CCCCC1 ZINC001234118650 778170002 /nfs/dbraw/zinc/17/00/02/778170002.db2.gz JRKFHOQTMUIDFW-QGZVFWFLSA-N 0 1 288.435 2.679 20 30 CFEDMN C=C1O[C@H](CC)C(=O)C1Oc1cnc(Cl)c(OC)c1 ZINC001234121048 778170516 /nfs/dbraw/zinc/17/05/16/778170516.db2.gz WODSYHZSVKUAJX-SECBINFHSA-N 0 1 283.711 2.732 20 30 CFEDMN C=C1O[C@@H](CC)C(=O)C1Oc1cc(F)c(OC)cc1F ZINC001234265505 778196431 /nfs/dbraw/zinc/19/64/31/778196431.db2.gz FYBPWAVNOVLIEH-JTQLQIEISA-N 0 1 284.258 2.962 20 30 CFEDMN C#CCN1CC[C@@H]2[C@H]1CCCN2C(=O)[C@H](CC)CC(C)C ZINC001272042190 778215150 /nfs/dbraw/zinc/21/51/50/778215150.db2.gz BJXHCHICUZLQSJ-BRWVUGGUSA-N 0 1 290.451 2.757 20 30 CFEDMN C=C(Cl)CN[C@@H]1C[C@H](C)N(C(=O)c2cccs2)C1 ZINC000987894609 778237023 /nfs/dbraw/zinc/23/70/23/778237023.db2.gz GPRXBEDJCMAPOZ-WDEREUQCSA-N 0 1 284.812 2.693 20 30 CFEDMN N#Cc1ccc2nc(=O)[nH]c(OC(C3CC3)C3CC3)c2c1 ZINC001234530932 778246146 /nfs/dbraw/zinc/24/61/46/778246146.db2.gz ORNVABAKJMNKSY-UHFFFAOYSA-N 0 1 281.315 2.774 20 30 CFEDMN C=CC[C@@H](C)Oc1nc(C)[nH]c(=O)c1Br ZINC001234572266 778254878 /nfs/dbraw/zinc/25/48/78/778254878.db2.gz KLJXHMRXLZJMRN-ZCFIWIBFSA-N 0 1 273.130 2.597 20 30 CFEDMN CC#CCN1CC[C@H](NC(=O)[C@H]2CCCC3(CC3)C2)[C@H]1C ZINC001088565178 778263374 /nfs/dbraw/zinc/26/33/74/778263374.db2.gz GETMYVIDCXUTSJ-PMPSAXMXSA-N 0 1 288.435 2.559 20 30 CFEDMN C[C@@H](Oc1nc(F)nc2nc[nH]c21)c1ccccc1C#N ZINC001234691892 778290099 /nfs/dbraw/zinc/29/00/99/778290099.db2.gz IRSQNXASNXUMLJ-MRVPVSSYSA-N 0 1 283.266 2.504 20 30 CFEDMN C#CC[N@H+](C)Cc1ccc(C(OCC)OCC)cc1 ZINC001234891673 778322673 /nfs/dbraw/zinc/32/26/73/778322673.db2.gz DXDCHHIMSBLAMG-UHFFFAOYSA-N 0 1 261.365 2.823 20 30 CFEDMN C#CCN(C)Cc1ccc(C(OCC)OCC)cc1 ZINC001234891673 778322680 /nfs/dbraw/zinc/32/26/80/778322680.db2.gz DXDCHHIMSBLAMG-UHFFFAOYSA-N 0 1 261.365 2.823 20 30 CFEDMN CC/C=C(/C)C(=O)NCCCN(C)Cc1ccccc1C#N ZINC001234940609 778333917 /nfs/dbraw/zinc/33/39/17/778333917.db2.gz AGPMYQORJSJXSX-NVNXTCNLSA-N 0 1 299.418 2.853 20 30 CFEDMN CC#CCN(C)CCN(C)C(=O)c1cccc(F)c1Cl ZINC001272117893 778358104 /nfs/dbraw/zinc/35/81/04/778358104.db2.gz QMJZBZDHXNQVDG-UHFFFAOYSA-N 0 1 296.773 2.506 20 30 CFEDMN C#CCN(C)CCN(C)C(=O)c1cc(C(C)(C)C)oc1C ZINC001272117682 778358378 /nfs/dbraw/zinc/35/83/78/778358378.db2.gz NFDKFHVOXOVWIH-UHFFFAOYSA-N 0 1 290.407 2.523 20 30 CFEDMN CN(CCC#N)Cc1cc(Br)cc(F)c1O ZINC001235058251 778368696 /nfs/dbraw/zinc/36/86/96/778368696.db2.gz ZXDFQXIOYPTKLE-UHFFFAOYSA-N 0 1 287.132 2.639 20 30 CFEDMN C=C[C@@](C)(CC)C(=O)N(C)C[C@H](C)NCC(=C)Cl ZINC001277930168 778430755 /nfs/dbraw/zinc/43/07/55/778430755.db2.gz WZAYLMJMKSAMEO-JSGCOSHPSA-N 0 1 272.820 2.778 20 30 CFEDMN C=CCN1CC[C@H](NC(=O)c2ccc(Cl)cc2F)[C@H]1C ZINC001088721433 778458459 /nfs/dbraw/zinc/45/84/59/778458459.db2.gz PRHYPMXVVUCPOH-YGRLFVJLSA-N 0 1 296.773 2.858 20 30 CFEDMN CC#CCN1CC[C@H](NC(=O)c2ccccc2CCC)[C@H]1C ZINC001088731550 778460563 /nfs/dbraw/zinc/46/05/63/778460563.db2.gz VNYTUKKLEVAAEZ-QAPCUYQASA-N 0 1 298.430 2.855 20 30 CFEDMN N#CC(C(=O)CC1CCCC1)C(=O)Nc1ccccc1 ZINC000128073974 778477717 /nfs/dbraw/zinc/47/77/17/778477717.db2.gz MLUBLSGBZADENO-AWEZNQCLSA-N 0 1 270.332 2.914 20 30 CFEDMN CC(C)C#CC(=O)NCCN[C@H](C)c1ccccc1Cl ZINC001126834140 778483997 /nfs/dbraw/zinc/48/39/97/778483997.db2.gz KOMJKXLUBRLHRF-CYBMUJFWSA-N 0 1 292.810 2.766 20 30 CFEDMN CC#CCO[C@@H]1CCN(Cc2ccccc2Cl)C1 ZINC001224359395 778484613 /nfs/dbraw/zinc/48/46/13/778484613.db2.gz VNHVSLAFVKOURA-CQSZACIVSA-N 0 1 263.768 2.954 20 30 CFEDMN C=CCN1CCN(Cc2c[nH]c3cnc(Cl)cc23)CC1 ZINC001235511173 778508525 /nfs/dbraw/zinc/50/85/25/778508525.db2.gz ZPBDZWJEEGIKKZ-UHFFFAOYSA-N 0 1 290.798 2.520 20 30 CFEDMN N#CCc1ccccc1CN1CC2(C1)CC(F)(F)C2 ZINC001235511664 778509062 /nfs/dbraw/zinc/50/90/62/778509062.db2.gz LGGNMNCJSWCVMH-UHFFFAOYSA-N 0 1 262.303 2.984 20 30 CFEDMN C=CCN1C[C@@H]2CCN(C(=O)c3cc(C)sc3C)[C@@H]2C1 ZINC001076003191 778519309 /nfs/dbraw/zinc/51/93/09/778519309.db2.gz SVAXMSCWWQSXEF-DZGCQCFKSA-N 0 1 290.432 2.697 20 30 CFEDMN CCCCN(CC#N)Cc1nc2ccc(F)cc2[nH]1 ZINC001235695023 778541210 /nfs/dbraw/zinc/54/12/10/778541210.db2.gz IZQYMWUYCZDAAQ-UHFFFAOYSA-N 0 1 260.316 2.828 20 30 CFEDMN C=CCCN1CC[C@@H]1CNC(=O)c1c(F)cc(C)cc1F ZINC001038500704 778571369 /nfs/dbraw/zinc/57/13/69/778571369.db2.gz IREPDAHCSTXYCI-GFCCVEGCSA-N 0 1 294.345 2.653 20 30 CFEDMN Cc1ccc(NC(=O)C[C@H](C)NCCC#N)c(C)c1 ZINC000346749645 778586479 /nfs/dbraw/zinc/58/64/79/778586479.db2.gz WANGLOHKHYXEIM-ZDUSSCGKSA-N 0 1 259.353 2.524 20 30 CFEDMN C[C@H](CC(=O)Nc1ccccc1C(F)(F)F)NCCC#N ZINC000346745506 778588088 /nfs/dbraw/zinc/58/80/88/778588088.db2.gz FJUCRKSIQDGLDH-SNVBAGLBSA-N 0 1 299.296 2.926 20 30 CFEDMN COc1ccc(-c2c(F)cc(F)c(O)c2F)nc1CC#N ZINC001235995115 778646244 /nfs/dbraw/zinc/64/62/44/778646244.db2.gz WTAOEOBEMDWPDB-UHFFFAOYSA-N 0 1 294.232 2.946 20 30 CFEDMN C=CCN1CC[C@H]2CCN(C(=O)c3ccc(F)s3)C[C@@H]21 ZINC001042375618 778680098 /nfs/dbraw/zinc/68/00/98/778680098.db2.gz YSCICTSMERSXFT-RYUDHWBXSA-N 0 1 294.395 2.610 20 30 CFEDMN CC(C)Oc1ncccc1-c1cc2[nH]cnc2c(C#N)n1 ZINC001236096924 778691806 /nfs/dbraw/zinc/69/18/06/778691806.db2.gz PKXFXBNGUVYTGF-UHFFFAOYSA-N 0 1 279.303 2.679 20 30 CFEDMN C=C1O[C@@H](CC)C(=O)C1OCCCCO[C@H]1CCCCO1 ZINC001224916775 778745514 /nfs/dbraw/zinc/74/55/14/778745514.db2.gz YGGNCCWJZHEANJ-KBPBESRZSA-N 0 1 298.379 2.936 20 30 CFEDMN COc1cc(F)c(-c2cc3[nH]cnc3c(C#N)n2)cc1OC ZINC001236297896 778765938 /nfs/dbraw/zinc/76/59/38/778765938.db2.gz FFWLRXQBXMOSKU-UHFFFAOYSA-N 0 1 298.277 2.653 20 30 CFEDMN N#Cc1ccc(-c2cc3[nH]nnc3cc2F)c(F)c1 ZINC001236530311 778863671 /nfs/dbraw/zinc/86/36/71/778863671.db2.gz GUESDQZBGVJGHE-UHFFFAOYSA-N 0 1 256.215 2.775 20 30 CFEDMN CN1CCN(c2ccc(-c3ccc(C#N)cc3F)cn2)CC1 ZINC001236530165 778864061 /nfs/dbraw/zinc/86/40/61/778864061.db2.gz DSGCUGRDWSANEQ-UHFFFAOYSA-N 0 1 296.349 2.511 20 30 CFEDMN Cc1nc2c(cncc2-c2ccc(C#N)cc2F)[nH]1 ZINC001236531934 778866429 /nfs/dbraw/zinc/86/64/29/778866429.db2.gz RSMDJEWQVFJIRS-UHFFFAOYSA-N 0 1 252.252 2.944 20 30 CFEDMN Cc1nc2c[nH]cc(-c3ccc(C#N)cc3F)c-2n1 ZINC001236531934 778866435 /nfs/dbraw/zinc/86/64/35/778866435.db2.gz RSMDJEWQVFJIRS-UHFFFAOYSA-N 0 1 252.252 2.944 20 30 CFEDMN C#Cc1cccc(CN2CC3(C2)C[C@@H](F)CS3)c1 ZINC001231663298 778867219 /nfs/dbraw/zinc/86/72/19/778867219.db2.gz PSFIJUYHPGTGET-CQSZACIVSA-N 0 1 261.365 2.697 20 30 CFEDMN COc1ccc(C#N)cc1-c1nccc2[nH]cc(C#N)c21 ZINC001236539836 778871803 /nfs/dbraw/zinc/87/18/03/778871803.db2.gz ZYGNVLPNMLASOO-UHFFFAOYSA-N 0 1 274.283 2.982 20 30 CFEDMN C#CCN1CCN(Cc2ccc(CC(C)C)cc2)CC1 ZINC001231788753 778872635 /nfs/dbraw/zinc/87/26/35/778872635.db2.gz WLZFBAMGDURBML-UHFFFAOYSA-N 0 1 270.420 2.636 20 30 CFEDMN C#C[C@H]1CCCN(Cc2cnc(OCC)c(C)c2)C1 ZINC001232307495 778922001 /nfs/dbraw/zinc/92/20/01/778922001.db2.gz ZRFJRURFQNLWOZ-AWEZNQCLSA-N 0 1 258.365 2.634 20 30 CFEDMN COC(=O)c1cc(F)cc(CN2CCC(CC#N)CC2)c1 ZINC001236779546 778934075 /nfs/dbraw/zinc/93/40/75/778934075.db2.gz RRIQKHBAGHRJNM-UHFFFAOYSA-N 0 1 290.338 2.738 20 30 CFEDMN C=CC[N@@H+]1CC[C@H](NC(=O)c2cnc3ccccc3c2)[C@H]1C ZINC001088883825 778936009 /nfs/dbraw/zinc/93/60/09/778936009.db2.gz LORIOSDAENIJJB-CJNGLKHVSA-N 0 1 295.386 2.613 20 30 CFEDMN C=CCN1CC[C@H](NC(=O)c2cnc3ccccc3c2)[C@H]1C ZINC001088883825 778936015 /nfs/dbraw/zinc/93/60/15/778936015.db2.gz LORIOSDAENIJJB-CJNGLKHVSA-N 0 1 295.386 2.613 20 30 CFEDMN C=C(C)CCC(=O)NC[C@H](C)N1CCc2ccccc2C1 ZINC001120665121 778950016 /nfs/dbraw/zinc/95/00/16/778950016.db2.gz OSMLPWZPPWWARS-HNNXBMFYSA-N 0 1 286.419 2.906 20 30 CFEDMN C[C@]1(F)CCCC[N@@H+](Cc2cc(C#N)ccc2[O-])C1 ZINC001232673704 778960235 /nfs/dbraw/zinc/96/02/35/778960235.db2.gz LHEPEIWBCPZJEO-HNNXBMFYSA-N 0 1 262.328 2.978 20 30 CFEDMN C=CCN1CC[C@H](NC(=O)c2cc(CC)c(CC)o2)[C@H]1C ZINC001088984216 778967018 /nfs/dbraw/zinc/96/70/18/778967018.db2.gz NRFDVJVYIZHCNF-OCCSQVGLSA-N 0 1 290.407 2.783 20 30 CFEDMN C#CCN1CC[C@H](NC(=O)CC2CCC(C)(C)CC2)[C@H]1C ZINC001089087127 778993194 /nfs/dbraw/zinc/99/31/94/778993194.db2.gz RVUGQMQDTSEGPK-ZBFHGGJFSA-N 0 1 290.451 2.805 20 30 CFEDMN C#CCN1CCN(Cc2ccc(C3CCC3)cc2)CC1 ZINC001237110985 779013907 /nfs/dbraw/zinc/01/39/07/779013907.db2.gz PQIYUCZBWZOKOA-UHFFFAOYSA-N 0 1 268.404 2.705 20 30 CFEDMN C=C1CCC(C(=O)NC2CN(CCC(C)(C)C)C2)CC1 ZINC001030900253 779086215 /nfs/dbraw/zinc/08/62/15/779086215.db2.gz RMAADMMWUAPRRB-UHFFFAOYSA-N 0 1 278.440 2.969 20 30 CFEDMN C[C@@H]1C[C@@H](F)CN1Cc1cn(C)c2ccc(C#N)cc12 ZINC001237463532 779114355 /nfs/dbraw/zinc/11/43/55/779114355.db2.gz AVACPAQSCPUXNQ-BXUZGUMPSA-N 0 1 271.339 2.982 20 30 CFEDMN Cn1cc(CN2C[C@@H]3C[C@@H]3[C@@H](F)C2)c2cc(C#N)ccc21 ZINC001237469389 779115069 /nfs/dbraw/zinc/11/50/69/779115069.db2.gz UTUBVTUNAODIDH-NOLJZWGESA-N 0 1 283.350 2.840 20 30 CFEDMN O=C1c2ccccc2C(=O)C1=Cc1cc(O)ccc1[N+](=O)[O-] ZINC000176378957 779115589 /nfs/dbraw/zinc/11/55/89/779115589.db2.gz ILPYQJVGNXOEGU-UHFFFAOYSA-N 0 1 295.250 2.763 20 30 CFEDMN COc1c(C)cccc1CN1CCC2SC(=O)C=C2C1 ZINC001237504219 779122251 /nfs/dbraw/zinc/12/22/51/779122251.db2.gz VPXDYRCLOJCYFU-CQSZACIVSA-N 0 1 289.400 2.778 20 30 CFEDMN CCCc1ncc(C(=O)Nc2cc(C#N)ccc2O)s1 ZINC000176407164 779125914 /nfs/dbraw/zinc/12/59/14/779125914.db2.gz FAUWYQZRQWMMNF-UHFFFAOYSA-N 0 1 287.344 2.925 20 30 CFEDMN C#CCNCC(=O)N1CCCCC[C@H]1c1cccc(C)c1 ZINC001121960803 779145379 /nfs/dbraw/zinc/14/53/79/779145379.db2.gz XBPRNTJGRIZIEC-KRWDZBQOSA-N 0 1 284.403 2.662 20 30 CFEDMN N#CCCN(CCC#N)Cc1cc(F)cc(Cl)c1O ZINC001237805873 779183240 /nfs/dbraw/zinc/18/32/40/779183240.db2.gz OVQVPWLPOFDESF-UHFFFAOYSA-N 0 1 281.718 2.814 20 30 CFEDMN CCCC(=O)C(C#N)C(=O)Nc1ccc(OC)c(Cl)c1 ZINC000130337418 779266419 /nfs/dbraw/zinc/26/64/19/779266419.db2.gz ZLIPSDHBWQJWPT-SNVBAGLBSA-N 0 1 294.738 2.796 20 30 CFEDMN C#CCN(C(=O)CCCCCC)C1CCN(CC#C)CC1 ZINC001278200680 779274928 /nfs/dbraw/zinc/27/49/28/779274928.db2.gz QLBKJVULTBRQMA-UHFFFAOYSA-N 0 1 288.435 2.516 20 30 CFEDMN COC[C@@H]1CCCN1Cc1ccc(Cl)c(C#N)c1 ZINC001238189628 779275089 /nfs/dbraw/zinc/27/50/89/779275089.db2.gz ULJWHVZHCONRTG-ZDUSSCGKSA-N 0 1 264.756 2.822 20 30 CFEDMN COc1cc(CN2CCc3cccc(O)c3C2)ccc1C#N ZINC001238413013 779308817 /nfs/dbraw/zinc/30/88/17/779308817.db2.gz LHUAATSPWNDDDR-UHFFFAOYSA-N 0 1 294.354 2.831 20 30 CFEDMN CC(C)Oc1cncc(CN2CCC(CC#N)CC2)c1 ZINC001238469288 779325591 /nfs/dbraw/zinc/32/55/91/779325591.db2.gz RDIQIIZXEXHNFR-UHFFFAOYSA-N 0 1 273.380 2.994 20 30 CFEDMN C#CCN1CCC(OC(=O)c2ccc(Cl)c(F)c2)CC1 ZINC001123250092 779366303 /nfs/dbraw/zinc/36/63/03/779366303.db2.gz HXDYHDLKYBOKKB-UHFFFAOYSA-N 0 1 295.741 2.734 20 30 CFEDMN COc1ccc2c(c1)nccc2Nc1ccnc(C#N)c1 ZINC001203520791 779377104 /nfs/dbraw/zinc/37/71/04/779377104.db2.gz XMUFGKVIFNVBGL-UHFFFAOYSA-N 0 1 276.299 2.676 20 30 CFEDMN C=CCN1CCC(F)(F)[C@@H](CNC(=O)[C@@H]2CC=CCC2)C1 ZINC001046919013 779406211 /nfs/dbraw/zinc/40/62/11/779406211.db2.gz NGSFVNOXRULOOD-KGLIPLIRSA-N 0 1 298.377 2.602 20 30 CFEDMN Cc1nc2cccc(-c3cnc(C#N)c(F)c3)c2[nH]1 ZINC001238990619 779434721 /nfs/dbraw/zinc/43/47/21/779434721.db2.gz AQJLWKXPDFCRIG-UHFFFAOYSA-N 0 1 252.252 2.944 20 30 CFEDMN CC#CCN(C)Cc1ccccc1CNC(=O)CCCC ZINC001272664196 779441703 /nfs/dbraw/zinc/44/17/03/779441703.db2.gz WBCCNORAVWJPRS-UHFFFAOYSA-N 0 1 286.419 2.948 20 30 CFEDMN CC(C)(C)[C@](C)(C#N)NC(=O)c1cccc(F)c1O ZINC001127533257 779516979 /nfs/dbraw/zinc/51/69/79/779516979.db2.gz OTXJDSUNRZKSAU-AWEZNQCLSA-N 0 1 264.300 2.589 20 30 CFEDMN C=C(C)CN1CC(CNC(=O)[C@H]2CCCC3(CC3)C2)C1 ZINC001031668029 779523282 /nfs/dbraw/zinc/52/32/82/779523282.db2.gz VPNDEPWWNHBRAS-HNNXBMFYSA-N 0 1 276.424 2.581 20 30 CFEDMN C=C(C)CN1CC(CNC(=O)c2cccc(Cl)c2C)C1 ZINC001031689682 779528898 /nfs/dbraw/zinc/52/88/98/779528898.db2.gz JHUPKXZMYDUPES-UHFFFAOYSA-N 0 1 292.810 2.886 20 30 CFEDMN C#CCN1CC(C)(C)CC[C@H]1CNC(=O)[C@@H]1CC=CCC1 ZINC001089605954 779541972 /nfs/dbraw/zinc/54/19/72/779541972.db2.gz RSPALPMHQGXFAL-CVEARBPZSA-N 0 1 288.435 2.583 20 30 CFEDMN C#CCN1CC(C)(C)CC[C@@H]1CNC(=O)[C@@H]1CC=CCC1 ZINC001089605956 779543076 /nfs/dbraw/zinc/54/30/76/779543076.db2.gz RSPALPMHQGXFAL-HZPDHXFCSA-N 0 1 288.435 2.583 20 30 CFEDMN C=CCN1CC(CNC(=O)c2c(C)c(F)ccc2Cl)C1 ZINC001031795283 779610748 /nfs/dbraw/zinc/61/07/48/779610748.db2.gz QZMJHBLUSBRJOM-UHFFFAOYSA-N 0 1 296.773 2.635 20 30 CFEDMN C=C(C)CN1CC(CNC(=O)[C@H]2CCC[C@@H]2CCC)C1 ZINC001031795268 779610767 /nfs/dbraw/zinc/61/07/67/779610767.db2.gz QTVUDJRYABHXPQ-HOTGVXAUSA-N 0 1 278.440 2.827 20 30 CFEDMN C=C(C)CN1CC(CNC(=O)c2ccc(Cl)cc2F)C1 ZINC001031826247 779629591 /nfs/dbraw/zinc/62/95/91/779629591.db2.gz GEBGAKFEABOOPD-UHFFFAOYSA-N 0 1 296.773 2.717 20 30 CFEDMN C=C1CCC(C(=O)NCC2CN(Cc3ccccc3)C2)CC1 ZINC001031951409 779682380 /nfs/dbraw/zinc/68/23/80/779682380.db2.gz HDMYLMVTFOSNEP-UHFFFAOYSA-N 0 1 298.430 2.981 20 30 CFEDMN N#Cc1cc(Cl)cc(CN2CCC3(CCO3)CC2)c1 ZINC001237750853 779715862 /nfs/dbraw/zinc/71/58/62/779715862.db2.gz ASMLJDQZJSPTED-UHFFFAOYSA-N 0 1 276.767 2.967 20 30 CFEDMN C=C(C)CN1CC(CNC(=O)c2c(C)cc(C)cc2C)C1 ZINC001032174266 779753829 /nfs/dbraw/zinc/75/38/29/779753829.db2.gz RMLLRZOITICFNN-UHFFFAOYSA-N 0 1 286.419 2.850 20 30 CFEDMN C=C(C)CN1CC(CNC(=O)c2cc3cc(C)ccc3o2)C1 ZINC001032206682 779764355 /nfs/dbraw/zinc/76/43/55/779764355.db2.gz HFSIQKNQLIOOGG-UHFFFAOYSA-N 0 1 298.386 2.979 20 30 CFEDMN C=C(C)CN1CC(CNC(=O)c2cc3cccc(C)c3o2)C1 ZINC001032210104 779766057 /nfs/dbraw/zinc/76/60/57/779766057.db2.gz ZPVFETRXGTVSMJ-UHFFFAOYSA-N 0 1 298.386 2.979 20 30 CFEDMN C=C(C)CN1CC(CNC(=O)c2cnc(C(C)C)s2)C1 ZINC001032234078 779778406 /nfs/dbraw/zinc/77/84/06/779778406.db2.gz ISNYRMMSUFGDOL-UHFFFAOYSA-N 0 1 293.436 2.504 20 30 CFEDMN C=CCC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)C=C1CCCCC1 ZINC001032305701 779827413 /nfs/dbraw/zinc/82/74/13/779827413.db2.gz CIQNQIGVJUWENL-HOTGVXAUSA-N 0 1 274.408 2.738 20 30 CFEDMN C=CCN1C[C@@H]2CCC[C@]2(NC(=O)c2cc(C)cs2)C1 ZINC001098825441 779864879 /nfs/dbraw/zinc/86/48/79/779864879.db2.gz BLWBPCQLYZZHJK-BBRMVZONSA-N 0 1 290.432 2.827 20 30 CFEDMN COc1cnc(F)cc1-c1ccc(/C=N/O)c(F)c1 ZINC001239043024 779879900 /nfs/dbraw/zinc/87/99/00/779879900.db2.gz WTCRGFQBLDMEGO-UBKPWBPPSA-N 0 1 264.231 2.844 20 30 CFEDMN C=C(C)CCN1CCO[C@@](C)(CNC(=O)C(CC)CC)C1 ZINC001107755632 779894173 /nfs/dbraw/zinc/89/41/73/779894173.db2.gz GVJRGNGDTPFUQB-KRWDZBQOSA-N 0 1 296.455 2.596 20 30 CFEDMN C=CCCCN1CCO[C@](C)(CNC(=O)C[C@H](C)CC)C1 ZINC001107901521 779933828 /nfs/dbraw/zinc/93/38/28/779933828.db2.gz RLQQLLARPXLTNH-NVXWUHKLSA-N 0 1 296.455 2.596 20 30 CFEDMN CCCCCCCCCOC(=O)N1CCN[C@@H]2C[C@@H]21 ZINC001239332939 779934778 /nfs/dbraw/zinc/93/47/78/779934778.db2.gz ZJKAQBGTEKKXCF-KGLIPLIRSA-N 0 1 268.401 2.920 20 30 CFEDMN C=C(C)CN1C[C@@H]2C[C@H]1CN2C(=O)[C@@H]1C[C@H]1CC(C)(C)C ZINC001032412132 779940091 /nfs/dbraw/zinc/94/00/91/779940091.db2.gz KHWBAYVJZCGIQS-YHUYYLMFSA-N 0 1 290.451 2.920 20 30 CFEDMN C=CCCN1C[C@@H]2C[C@H]1CN2C(=O)c1cscc1Cl ZINC001032462588 779960465 /nfs/dbraw/zinc/96/04/65/779960465.db2.gz VAOWRAKFGUVVJH-QWRGUYRKSA-N 0 1 296.823 2.876 20 30 CFEDMN C=C(C)C[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@H]1CC[C@@H]2C[C@@H]2CC1 ZINC001032534143 780017018 /nfs/dbraw/zinc/01/70/18/780017018.db2.gz PAAGRDNGWSOGBE-QEOTZNIISA-N 0 1 288.435 2.674 20 30 CFEDMN C=C(C)CN1C[C@@H]2C[C@H]1CN2C(=O)[C@H]1CC[C@@H]2C[C@@H]2CC1 ZINC001032534143 780017026 /nfs/dbraw/zinc/01/70/26/780017026.db2.gz PAAGRDNGWSOGBE-QEOTZNIISA-N 0 1 288.435 2.674 20 30 CFEDMN C=C(C)CN1C[C@@H]2C[C@H]1CN2C(=O)[C@H]1CCCC(F)(F)C1 ZINC001032622877 780080113 /nfs/dbraw/zinc/08/01/13/780080113.db2.gz ADQKRYYLMKMUSL-IHRRRGAJSA-N 0 1 298.377 2.673 20 30 CFEDMN Cc1ncc(C#N)c(C2=CCCN(Cc3ccccc3)C2)n1 ZINC001240384316 780127587 /nfs/dbraw/zinc/12/75/87/780127587.db2.gz KXOIQYKULDUWQK-UHFFFAOYSA-N 0 1 290.370 2.946 20 30 CFEDMN N#Cc1ccnnc1C1=CCCN(Cc2ccccc2)C1 ZINC001240383409 780127817 /nfs/dbraw/zinc/12/78/17/780127817.db2.gz CEBOBPIUECEDBU-UHFFFAOYSA-N 0 1 276.343 2.638 20 30 CFEDMN CC(C)(O)c1cccc(-c2cc3[nH]cnc3c(C#N)n2)c1 ZINC001240405068 780140098 /nfs/dbraw/zinc/14/00/98/780140098.db2.gz JOOWAWJTVOHRPZ-UHFFFAOYSA-N 0 1 278.315 2.724 20 30 CFEDMN C=CCC(CC=C)C(=O)NCCNCc1ccccc1C#N ZINC001128084918 780143604 /nfs/dbraw/zinc/14/36/04/780143604.db2.gz GIPCVCVUYHEOMQ-UHFFFAOYSA-N 0 1 297.402 2.532 20 30 CFEDMN C=CCCN1C[C@@H]2C[C@H]1CN2C(=O)c1ccccc1Cl ZINC001032748361 780175588 /nfs/dbraw/zinc/17/55/88/780175588.db2.gz KCFJXKLSOHGUQC-STQMWFEESA-N 0 1 290.794 2.815 20 30 CFEDMN CCOc1ncccc1-c1nccc2[nH]cc(C#N)c21 ZINC001240493492 780199796 /nfs/dbraw/zinc/19/97/96/780199796.db2.gz JEDBEVMDZVVPQB-UHFFFAOYSA-N 0 1 264.288 2.895 20 30 CFEDMN C=CCOC[C@H]1CN(Cc2ccccc2)CC(C)(C)O1 ZINC001205038120 780216612 /nfs/dbraw/zinc/21/66/12/780216612.db2.gz YQQRUQSNNFGIJI-MRXNPFEDSA-N 0 1 275.392 2.869 20 30 CFEDMN C#CCCN1C[C@@H]2C[C@H]1CN2C(=O)[C@@H]1CCCC(C)(C)C1 ZINC001032808591 780263152 /nfs/dbraw/zinc/26/31/52/780263152.db2.gz IWTWOTLUYJSBIC-PMPSAXMXSA-N 0 1 288.435 2.511 20 30 CFEDMN C=CC(C)(C)CC(=O)NCCNCc1c(C)nsc1C ZINC001128242014 780369241 /nfs/dbraw/zinc/36/92/41/780369241.db2.gz ISYGDAYNFYSOLQ-UHFFFAOYSA-N 0 1 295.452 2.568 20 30 CFEDMN N#Cc1cc(F)cc(-c2noc(-c3ncccc3O)n2)c1 ZINC001212480682 780395732 /nfs/dbraw/zinc/39/57/32/780395732.db2.gz CLDXAVCWRKTFGP-UHFFFAOYSA-N 0 1 282.234 2.515 20 30 CFEDMN Cn1ccc2cc(-c3nccc4[nH]cc(C#N)c43)cnc21 ZINC001240828022 780466580 /nfs/dbraw/zinc/46/65/80/780466580.db2.gz CMRIBFMHAYFWRY-UHFFFAOYSA-N 0 1 273.299 2.988 20 30 CFEDMN CC(C)Cn1cc(-c2nccc3[nH]cc(C#N)c32)cn1 ZINC001240876432 780494788 /nfs/dbraw/zinc/49/47/88/780494788.db2.gz LOJZNIAIFBCGKU-UHFFFAOYSA-N 0 1 265.320 2.954 20 30 CFEDMN C=CCN1CC[C@H](N(C)C(=O)C(C)=C2CCCC2)C1 ZINC001032994049 780526898 /nfs/dbraw/zinc/52/68/98/780526898.db2.gz SEJZKNOLNYXEJL-HNNXBMFYSA-N 0 1 262.397 2.596 20 30 CFEDMN C=C(C)CN1CC[C@@H](N(C)C(=O)c2sccc2F)C1 ZINC001033059295 780546867 /nfs/dbraw/zinc/54/68/67/780546867.db2.gz VUKCENBPTJOVEW-LLVKDONJSA-N 0 1 282.384 2.610 20 30 CFEDMN CO[C@@H]1CC[C@@H](C)N(Cc2ccc(F)c(C#N)c2)C1 ZINC000687212310 780593308 /nfs/dbraw/zinc/59/33/08/780593308.db2.gz BWBWWEMLLQEFHN-BXUZGUMPSA-N 0 1 262.328 2.697 20 30 CFEDMN CC#CCN1CC[C@H](N(C)C(=O)[C@@H]2CCC=CCCC2)C1 ZINC001033184027 780608488 /nfs/dbraw/zinc/60/84/88/780608488.db2.gz MUERJMDMQHJWOY-SJORKVTESA-N 0 1 288.435 2.679 20 30 CFEDMN C=CCN1CC[C@H](N(C)C(=O)[C@@H]2C[C@H]2c2ccsc2)C1 ZINC001033192321 780610927 /nfs/dbraw/zinc/61/09/27/780610927.db2.gz YRGGECRMEYZACC-SOUVJXGZSA-N 0 1 290.432 2.570 20 30 CFEDMN C=CCN1CC[C@H](N(C)C(=O)[C@H]2CCCCC2(F)F)C1 ZINC001033292981 780641718 /nfs/dbraw/zinc/64/17/18/780641718.db2.gz IPCVBBYBSWFTSN-QWHCGFSZSA-N 0 1 286.366 2.531 20 30 CFEDMN C=CCN1CC[C@H](N(C)C(=O)c2ccc(C)nc2C2CC2)C1 ZINC001033313192 780648556 /nfs/dbraw/zinc/64/85/56/780648556.db2.gz UZLDAHRDQOPJLS-HNNXBMFYSA-N 0 1 299.418 2.600 20 30 CFEDMN C=CCN1CC[C@@H](N(C)C(=O)c2ccc(C)nc2C2CC2)C1 ZINC001033313197 780648734 /nfs/dbraw/zinc/64/87/34/780648734.db2.gz UZLDAHRDQOPJLS-OAHLLOKOSA-N 0 1 299.418 2.600 20 30 CFEDMN CC#CCN1CC[C@@H](N(C)C(=O)c2ccc(CCC)cc2)C1 ZINC001033370586 780667113 /nfs/dbraw/zinc/66/71/13/780667113.db2.gz SBLWKTICTKOYFT-GOSISDBHSA-N 0 1 298.430 2.809 20 30 CFEDMN CC#CCN1CC[C@@H](N(C)C(=O)C2(C)CCCCC2)C1 ZINC001033392589 780669032 /nfs/dbraw/zinc/66/90/32/780669032.db2.gz BFKVWQBYUJTMCD-OAHLLOKOSA-N 0 1 276.424 2.513 20 30 CFEDMN CC#CCN1CC[C@H](N(C)C(=O)C2(C)CCCCC2)C1 ZINC001033392587 780669244 /nfs/dbraw/zinc/66/92/44/780669244.db2.gz BFKVWQBYUJTMCD-HNNXBMFYSA-N 0 1 276.424 2.513 20 30 CFEDMN C=CCN1CC[C@H](N(C)C(=O)[C@@H]2CCc3ccccc3C2)C1 ZINC001033461264 780688535 /nfs/dbraw/zinc/68/85/35/780688535.db2.gz ZAOZYPMAXIYLSA-MSOLQXFVSA-N 0 1 298.430 2.510 20 30 CFEDMN C=CCN1CC[C@@H](N(C)C(=O)[C@@H]2CCc3ccccc3C2)C1 ZINC001033461265 780688755 /nfs/dbraw/zinc/68/87/55/780688755.db2.gz ZAOZYPMAXIYLSA-QZTJIDSGSA-N 0 1 298.430 2.510 20 30 CFEDMN C=CCN1CC[C@@H](N(C)C(=O)c2ccsc2Cl)C1 ZINC001033468243 780690785 /nfs/dbraw/zinc/69/07/85/780690785.db2.gz VYHTYNLKNLFELO-SNVBAGLBSA-N 0 1 284.812 2.734 20 30 CFEDMN C=CCN1CC[C@H](N(C)C(=O)[C@H]2C[C@@H]2c2ccccc2)C1 ZINC001033485850 780692319 /nfs/dbraw/zinc/69/23/19/780692319.db2.gz OMJYYJVDCZVTOS-BBWFWOEESA-N 0 1 284.403 2.509 20 30 CFEDMN C#CCN1CC[C@H](N(C)C(=O)c2cccc(C3CCC3)c2)C1 ZINC001033582510 780716949 /nfs/dbraw/zinc/71/69/49/780716949.db2.gz NMTGPQIMNLGGHZ-SFHVURJKSA-N 0 1 296.414 2.734 20 30 CFEDMN C=CCN1CC[C@H](N(C)C(=O)c2cc(C)cc(C)c2)C1 ZINC001033612013 780730124 /nfs/dbraw/zinc/73/01/24/780730124.db2.gz BKLJKGRBTTWZGV-INIZCTEOSA-N 0 1 272.392 2.636 20 30 CFEDMN C=CCN1CC[C@@H](N(C)C(=O)c2ccc(C)c3c2CCC3)C1 ZINC001033692489 780750099 /nfs/dbraw/zinc/75/00/99/780750099.db2.gz IVLICEHTSYUQNM-OAHLLOKOSA-N 0 1 298.430 2.816 20 30 CFEDMN C=CCN1CC[C@@H](N(C)C(=O)[C@H]2CCCC(C)(C)C2)C1 ZINC001033694145 780751040 /nfs/dbraw/zinc/75/10/40/780751040.db2.gz JCLMRVKPSZHJLB-LSDHHAIUSA-N 0 1 278.440 2.922 20 30 CFEDMN COc1cc(C#N)nc(-c2c(F)ccc(O)c2F)c1 ZINC001241289317 780759945 /nfs/dbraw/zinc/75/99/45/780759945.db2.gz PFOPOGVXQNZCKB-UHFFFAOYSA-N 0 1 262.215 2.613 20 30 CFEDMN C=CCN1CC[C@@H](N(CC)C(=O)c2ccc(C)s2)C1 ZINC001033734128 780767067 /nfs/dbraw/zinc/76/70/67/780767067.db2.gz NFXCKLDGFRRNPQ-CYBMUJFWSA-N 0 1 278.421 2.779 20 30 CFEDMN CN1CC=C(c2nc(C(F)(F)F)ccc2C#N)CC1 ZINC001241307872 780770858 /nfs/dbraw/zinc/77/08/58/780770858.db2.gz LMEKZJPWKQHGAR-UHFFFAOYSA-N 0 1 267.254 2.691 20 30 CFEDMN CN1CC=C(c2ncc(C#N)c3ccsc32)CC1 ZINC001241317026 780777266 /nfs/dbraw/zinc/77/72/66/780777266.db2.gz HFFKAPXCVCLLPI-UHFFFAOYSA-N 0 1 255.346 2.887 20 30 CFEDMN CCn1cc(C2=CCN(C)CC2)c2sc(C#N)cc2c1=O ZINC001241333191 780787407 /nfs/dbraw/zinc/78/74/07/780787407.db2.gz SSUYIRAJRHOAAZ-UHFFFAOYSA-N 0 1 299.399 2.673 20 30 CFEDMN CC#CCN1CC[C@@H](N(CC)C(=O)c2ccsc2C)C1 ZINC001033822368 780799947 /nfs/dbraw/zinc/79/99/47/780799947.db2.gz YIFFTMWUKQXRDT-CQSZACIVSA-N 0 1 290.432 2.616 20 30 CFEDMN CC#CCN1CC[C@H](N(CC)C(=O)[C@H]2CCCC23CC3)C1 ZINC001033874377 780814665 /nfs/dbraw/zinc/81/46/65/780814665.db2.gz XHJCNPYZFZHSDU-JKSUJKDBSA-N 0 1 288.435 2.513 20 30 CFEDMN CN(C)c1ccc(-c2nccc3[nH]cc(C#N)c32)cn1 ZINC001241368818 780821822 /nfs/dbraw/zinc/82/18/22/780821822.db2.gz UJWCKDYLHBZBCE-UHFFFAOYSA-N 0 1 263.304 2.563 20 30 CFEDMN CC#CCN1CC[C@@H](N(CC)C(=O)[C@@H]2CCCC2(C)C)C1 ZINC001033926981 780825175 /nfs/dbraw/zinc/82/51/75/780825175.db2.gz HQXSJPHNLMTOLX-CVEARBPZSA-N 0 1 290.451 2.759 20 30 CFEDMN C=CC[N@@H+]1CC[C@H](N(CC)C(=O)[C@@H]2CCCC2(C)C)C1 ZINC001033928642 780826803 /nfs/dbraw/zinc/82/68/03/780826803.db2.gz FFLKWIWFUAWQIL-GJZGRUSLSA-N 0 1 278.440 2.922 20 30 CFEDMN C=CCN1CC[C@H](N(CC)C(=O)[C@@H]2CCCC2(C)C)C1 ZINC001033928642 780826808 /nfs/dbraw/zinc/82/68/08/780826808.db2.gz FFLKWIWFUAWQIL-GJZGRUSLSA-N 0 1 278.440 2.922 20 30 CFEDMN C=CCN1CC[C@@H](N(CC)C(=O)[C@H]2CCC2(C)C)C1 ZINC001033927377 780827097 /nfs/dbraw/zinc/82/70/97/780827097.db2.gz OLYAMGNAHMTKEQ-ZIAGYGMSSA-N 0 1 264.413 2.531 20 30 CFEDMN C=C1CCC(C(=O)N(CC)[C@@H]2CCN(CC#CC)C2)CC1 ZINC001033951418 780836634 /nfs/dbraw/zinc/83/66/34/780836634.db2.gz VNGDSESDVSSQKT-QGZVFWFLSA-N 0 1 288.435 2.679 20 30 CFEDMN C=CCN1CC[C@@H](N(CC)C(=O)C2CCC(F)CC2)C1 ZINC001033951565 780836698 /nfs/dbraw/zinc/83/66/98/780836698.db2.gz XGKAKZKSLGWXEE-YMAMQOFZSA-N 0 1 282.403 2.624 20 30 CFEDMN CC#CCN1CC[C@H](N(CC)C(=O)c2cc(C)cc(C)c2)C1 ZINC001034026799 780858214 /nfs/dbraw/zinc/85/82/14/780858214.db2.gz VRYYFWWCOIZOMY-SFHVURJKSA-N 0 1 298.430 2.863 20 30 CFEDMN C#C[C@H](NCc1ccc([N+](=O)[O-])cc1F)C(C)(C)C ZINC000702224306 780901649 /nfs/dbraw/zinc/90/16/49/780901649.db2.gz NQPXOHMEQUNCHU-ZDUSSCGKSA-N 0 1 264.300 2.871 20 30 CFEDMN C=CCN1CCCC[C@@H](NC(=O)c2ccoc2Cl)C1 ZINC001034182214 780919926 /nfs/dbraw/zinc/91/99/26/780919926.db2.gz ZJSPIVNNVMQBJM-LLVKDONJSA-N 0 1 282.771 2.703 20 30 CFEDMN C#CCN1CCCC[C@H](NC(=O)c2ccc3occc3c2)C1 ZINC001034226313 780925840 /nfs/dbraw/zinc/92/58/40/780925840.db2.gz QERPOQXSMOASKW-INIZCTEOSA-N 0 1 296.370 2.650 20 30 CFEDMN C#CCN1CCCC[C@H](NC(=O)[C@@H]2CCC(C)=C(C)C2)C1 ZINC001034222492 780927883 /nfs/dbraw/zinc/92/78/83/780927883.db2.gz FMEBQXYPUSCLDB-SJORKVTESA-N 0 1 288.435 2.727 20 30 CFEDMN C=CCN1CCCC[C@H](NC(=O)c2cc(F)ccc2F)C1 ZINC001034247537 780928900 /nfs/dbraw/zinc/92/89/00/780928900.db2.gz POSLVXSICVADJK-ZDUSSCGKSA-N 0 1 294.345 2.735 20 30 CFEDMN C[S@](=O)c1ccc(-c2nccc3[nH]cc(C#N)c32)cc1 ZINC001241478582 780929733 /nfs/dbraw/zinc/92/97/33/780929733.db2.gz DHSDJQKSWYDRRI-FQEVSTJZSA-N 0 1 281.340 2.839 20 30 CFEDMN Cc1cc(-c2cc3[nH]cnc3c(C#N)n2)cc2c[nH]nc21 ZINC001241513207 780954018 /nfs/dbraw/zinc/95/40/18/780954018.db2.gz ZHTAKOCNLKJHMS-UHFFFAOYSA-N 0 1 274.287 2.681 20 30 CFEDMN C=CCN1CCCC[C@H](NC(=O)[C@H](F)c2ccccc2)C1 ZINC001034424529 780968236 /nfs/dbraw/zinc/96/82/36/780968236.db2.gz NDWGTAOWFOBPTC-JKSUJKDBSA-N 0 1 290.382 2.854 20 30 CFEDMN C=CCN1CCCC[C@@H](NC(=O)C2(F)CCCCC2)C1 ZINC001034470924 780981565 /nfs/dbraw/zinc/98/15/65/780981565.db2.gz CPHNYCCHHLCBPZ-CQSZACIVSA-N 0 1 282.403 2.816 20 30 CFEDMN C=CCN1CCCC[C@H](NC(=O)c2oc(CC)cc2C)C1 ZINC001034484800 780986035 /nfs/dbraw/zinc/98/60/35/780986035.db2.gz OJMHJURNZNOYQZ-AWEZNQCLSA-N 0 1 290.407 2.921 20 30 CFEDMN C#CCN1CCCC[C@H](NC(=O)c2cc(C)cc(C)c2)C1 ZINC001034504672 780987258 /nfs/dbraw/zinc/98/72/58/780987258.db2.gz BYGYPJVHCZOSBX-KRWDZBQOSA-N 0 1 284.403 2.521 20 30 CFEDMN C=CCN1CCCC[C@@H](NC(=O)c2ccc(C(F)F)o2)C1 ZINC001034510436 780988005 /nfs/dbraw/zinc/98/80/05/780988005.db2.gz WPWSQGQCSZNQPF-LLVKDONJSA-N 0 1 298.333 2.988 20 30 CFEDMN C#CCN1CCCC[C@H](NC(=O)c2ccc(C)c(C)c2)C1 ZINC001034520867 780993916 /nfs/dbraw/zinc/99/39/16/780993916.db2.gz ZMKYXUCKFVQFIS-KRWDZBQOSA-N 0 1 284.403 2.521 20 30 CFEDMN C=C1CC(C)(C(=O)N2CC[C@H]3[C@@H]2CCN3Cc2ccc[nH]2)C1 ZINC001273136523 781034234 /nfs/dbraw/zinc/03/42/34/781034234.db2.gz UXFIKFJKKRKZMO-HOTGVXAUSA-N 0 1 299.418 2.546 20 30 CFEDMN C=C(C)C[C@@H](C)C(=O)NC[C@]1(C)CN(CCCC)CCO1 ZINC001108147599 781045130 /nfs/dbraw/zinc/04/51/30/781045130.db2.gz ANDQEGCDDITHOU-NVXWUHKLSA-N 0 1 296.455 2.596 20 30 CFEDMN C=CC[C@@H]1CCC[N@H+](Cc2cccc(C(=O)[O-])n2)C1 ZINC000703663337 781045460 /nfs/dbraw/zinc/04/54/60/781045460.db2.gz JNLHUFFUUPLQJA-GFCCVEGCSA-N 0 1 260.337 2.568 20 30 CFEDMN N#Cc1cc2nc(-c3ccc4nc[nH]c4c3)ccc2[nH]1 ZINC001241688557 781072742 /nfs/dbraw/zinc/07/27/42/781072742.db2.gz WANKREZHVYBNBH-UHFFFAOYSA-N 0 1 259.272 2.978 20 30 CFEDMN COc1cc(C)c(-c2nccc3[nH]cc(C#N)c32)cn1 ZINC001241754704 781111991 /nfs/dbraw/zinc/11/19/91/781111991.db2.gz MURACVQQOVEGPL-UHFFFAOYSA-N 0 1 264.288 2.814 20 30 CFEDMN C=CCN1CC2(C1)CCN(C(=O)CC1CCCC1)CC2 ZINC001035638989 781153639 /nfs/dbraw/zinc/15/36/39/781153639.db2.gz ZOKZDNJBPRAWFS-UHFFFAOYSA-N 0 1 276.424 2.677 20 30 CFEDMN C=CCN1CC2(C1)CCN(C(=O)c1cscc1C)CC2 ZINC001035679655 781157046 /nfs/dbraw/zinc/15/70/46/781157046.db2.gz XFCPFTXJIYRIMQ-UHFFFAOYSA-N 0 1 290.432 2.781 20 30 CFEDMN C=CCN1CC2(C1)CCN(C(=O)[C@H]1CCC[C@H]1CC)CC2 ZINC001035786842 781168639 /nfs/dbraw/zinc/16/86/39/781168639.db2.gz FSMBQXLJBLTHGQ-CVEARBPZSA-N 0 1 290.451 2.923 20 30 CFEDMN C=CCN1CC2(C1)CCN(C(=O)[C@H]1CC[C@H](C)CC1)CC2 ZINC001035839958 781176990 /nfs/dbraw/zinc/17/69/90/781176990.db2.gz JLEGMBILBZAEJV-WKILWMFISA-N 0 1 290.451 2.923 20 30 CFEDMN C=CCC[NH2+]Cc1c([O-])cccc1Br ZINC000706809845 781203575 /nfs/dbraw/zinc/20/35/75/781203575.db2.gz PFYARRJRXFOMII-UHFFFAOYSA-N 0 1 256.143 2.820 20 30 CFEDMN C=C(Cl)CN1CC[C@@H]2CN(C(=O)c3ccco3)CC[C@H]21 ZINC001036625947 781320349 /nfs/dbraw/zinc/32/03/49/781320349.db2.gz ONPSJTDHRLNLAS-CHWSQXEVSA-N 0 1 294.782 2.569 20 30 CFEDMN CCOC(=O)c1cc2cc(-c3cncc(C#N)c3)cnc2[nH]1 ZINC001242274192 781357111 /nfs/dbraw/zinc/35/71/11/781357111.db2.gz ICPMADRPSHULLU-UHFFFAOYSA-N 0 1 292.298 2.673 20 30 CFEDMN CN1CCN(c2ccc(C3=CC(=O)CC(C)(C)C3)cn2)CC1 ZINC001242315744 781393324 /nfs/dbraw/zinc/39/33/24/781393324.db2.gz XRDGMOCJVZEVTO-UHFFFAOYSA-N 0 1 299.418 2.606 20 30 CFEDMN C=C(Cl)CN1CC[C@@H]2CN(C(=O)CC3CCC3)CC[C@@H]21 ZINC001036677491 781402937 /nfs/dbraw/zinc/40/29/37/781402937.db2.gz CJSBNFNCTXINPY-CABCVRRESA-N 0 1 296.842 2.852 20 30 CFEDMN C=CCCCC(=O)NC[C@@]1(C)CN(CCCC=C)CCO1 ZINC001108171202 781421532 /nfs/dbraw/zinc/42/15/32/781421532.db2.gz BXCZLEQEONXALL-KRWDZBQOSA-N 0 1 294.439 2.516 20 30 CFEDMN COC(=O)c1nc2ccc(-c3cnc(C#N)c(C)c3)cc2[nH]1 ZINC001242356586 781431896 /nfs/dbraw/zinc/43/18/96/781431896.db2.gz GBVUZEYRTRNLOQ-UHFFFAOYSA-N 0 1 292.298 2.592 20 30 CFEDMN C=CCCSCCNCc1nccn1C1CC1 ZINC000711730708 781468360 /nfs/dbraw/zinc/46/83/60/781468360.db2.gz IBPRTPFNYFIMRP-UHFFFAOYSA-N 0 1 251.399 2.617 20 30 CFEDMN CC(=O)CC(C)=Nc1ncccc1C(=O)OC(C)(C)C ZINC001163738609 781564647 /nfs/dbraw/zinc/56/46/47/781564647.db2.gz AAHWKKVCQPRCFN-KTKRTIGZSA-N 0 1 276.336 2.942 20 30 CFEDMN C=CCN1C[C@@H](C)[C@H](NC(=O)c2ccc(CCC)s2)C1 ZINC001079777268 781621136 /nfs/dbraw/zinc/62/11/36/781621136.db2.gz UGSDMGIWRCCFMP-TZMCWYRMSA-N 0 1 292.448 2.937 20 30 CFEDMN Cc1ccc(-c2ccc(N3CCN(C)CC3)nc2)c(C#N)c1 ZINC001242591617 781624067 /nfs/dbraw/zinc/62/40/67/781624067.db2.gz CYONNPGCSDTBKG-UHFFFAOYSA-N 0 1 292.386 2.681 20 30 CFEDMN C=CC[N@@H+]1C[C@@H](C)[C@H](NC(=O)c2cc(C)c(F)cc2F)C1 ZINC001079937845 781629652 /nfs/dbraw/zinc/62/96/52/781629652.db2.gz GOTOHZVGIMGCDA-IAQYHMDHSA-N 0 1 294.345 2.509 20 30 CFEDMN C=CCN1C[C@@H](C)[C@H](NC(=O)c2cc(C)c(F)cc2F)C1 ZINC001079937845 781629665 /nfs/dbraw/zinc/62/96/65/781629665.db2.gz GOTOHZVGIMGCDA-IAQYHMDHSA-N 0 1 294.345 2.509 20 30 CFEDMN C[C@@H]1CN(Cc2cccc(C#N)c2)C[C@H]1NC(=O)C(C)(C)C ZINC001080827108 781680395 /nfs/dbraw/zinc/68/03/95/781680395.db2.gz XLSNVAOIQLKWGW-CZUORRHYSA-N 0 1 299.418 2.541 20 30 CFEDMN C=CCN1C[C@@H](C)[C@H](NC(=O)c2ccc(Cl)cc2)C1 ZINC001080828557 781680894 /nfs/dbraw/zinc/68/08/94/781680894.db2.gz LANLVQCCPFPGFW-BXUZGUMPSA-N 0 1 278.783 2.576 20 30 CFEDMN C=C(C)CN1C[C@@H](C)[C@H](NC(=O)c2cc(C)c(C)s2)C1 ZINC001080905886 781684657 /nfs/dbraw/zinc/68/46/57/781684657.db2.gz YCJKNFMRGYXNHM-TZMCWYRMSA-N 0 1 292.448 2.991 20 30 CFEDMN CC#CCN1C[C@@H](C)[C@H](NC(=O)[C@H](C)c2ccccc2C)C1 ZINC001080987192 781690139 /nfs/dbraw/zinc/69/01/39/781690139.db2.gz QWKHYZLHPIWETE-JFIYKMOQSA-N 0 1 298.430 2.558 20 30 CFEDMN N#Cc1ccccc1-c1nc[nH]c2nc(=S)sc1-2 ZINC001242715080 781715284 /nfs/dbraw/zinc/71/52/84/781715284.db2.gz DKLZIWHJFFZBRC-UHFFFAOYSA-N 0 1 270.342 2.914 20 30 CFEDMN CC#CC[N@H+]1CC(C)(C)CC[C@H]1CNC(=O)C=C(C)C ZINC001098880840 781736296 /nfs/dbraw/zinc/73/62/96/781736296.db2.gz SNDWAOYFNYKJOP-HNNXBMFYSA-N 0 1 276.424 2.583 20 30 CFEDMN CC#CCN1CC(C)(C)CC[C@H]1CNC(=O)C=C(C)C ZINC001098880840 781736303 /nfs/dbraw/zinc/73/63/03/781736303.db2.gz SNDWAOYFNYKJOP-HNNXBMFYSA-N 0 1 276.424 2.583 20 30 CFEDMN C=C[C@@](C)(CC)C(=O)N1C[C@@H](C)[C@H](NCC(=C)Cl)C1 ZINC001082721794 781740648 /nfs/dbraw/zinc/74/06/48/781740648.db2.gz KBCQSNTXUSJTSY-KYOSRNDESA-N 0 1 284.831 2.778 20 30 CFEDMN CCc1[nH]nc2ncc(-c3nccc4[nH]cc(C#N)c43)cc12 ZINC001242822043 781778833 /nfs/dbraw/zinc/77/88/33/781778833.db2.gz CPCFPUXJIFZFIJ-UHFFFAOYSA-N 0 1 288.314 2.935 20 30 CFEDMN C=CCN1CC[C@@H]2CN(C(=O)[C@@H]3CCC(C)=C(C)C3)[C@@H]2C1 ZINC001084368215 781789714 /nfs/dbraw/zinc/78/97/14/781789714.db2.gz ZLMHATBDVFNOAW-BRWVUGGUSA-N 0 1 288.435 2.842 20 30 CFEDMN C=CCN1CC[C@@H]2CN(C(=O)c3ccc4occc4c3)[C@@H]2C1 ZINC001084363859 781791156 /nfs/dbraw/zinc/79/11/56/781791156.db2.gz YQUILAOYWCFDAW-HZPDHXFCSA-N 0 1 296.370 2.765 20 30 CFEDMN C=C(C)C[N@H+]1CC[C@@H]2CN(C(=O)CC3CC(F)(F)C3)[C@@H]2C1 ZINC001084462186 781794957 /nfs/dbraw/zinc/79/49/57/781794957.db2.gz BRAPFKINLVIVMN-ZIAGYGMSSA-N 0 1 298.377 2.531 20 30 CFEDMN C=CCN1CC[C@@H]2CN(C(=O)C3CCC4(CC4)CC3)[C@@H]2C1 ZINC001084525385 781799662 /nfs/dbraw/zinc/79/96/62/781799662.db2.gz IOPOSFULBNCYDB-HZPDHXFCSA-N 0 1 288.435 2.676 20 30 CFEDMN C=C(C)CN1CC[C@@H]2CN(C(=O)C3(C(F)F)CCC3)[C@@H]2C1 ZINC001084603926 781806744 /nfs/dbraw/zinc/80/67/44/781806744.db2.gz RPYZQBAYONMIHD-CHWSQXEVSA-N 0 1 298.377 2.531 20 30 CFEDMN C=C(C)CN1CC[C@@H]2CN(C(=O)C3(C(C)C)CC3)[C@@H]2C1 ZINC001084645056 781815947 /nfs/dbraw/zinc/81/59/47/781815947.db2.gz BMRNGSYEIYZVRA-HUUCEWRRSA-N 0 1 276.424 2.531 20 30 CFEDMN C=CCN1CC[C@@H]2CN(C(=O)[C@H](C)c3cccs3)[C@@H]2C1 ZINC001084656274 781818265 /nfs/dbraw/zinc/81/82/65/781818265.db2.gz XQBAGVMVLOSRMZ-MGPQQGTHSA-N 0 1 290.432 2.570 20 30 CFEDMN C=CCN1CC[C@@H]2CN(C(=O)c3cccc4[nH]ccc43)[C@@H]2C1 ZINC001084678295 781819003 /nfs/dbraw/zinc/81/90/03/781819003.db2.gz IFLLJXWDSAAAIB-CXAGYDPISA-N 0 1 295.386 2.500 20 30 CFEDMN C=CC[N@H+]1CC[C@@H]2CN(C(=O)[C@@H]3C[C@H]3c3ccccc3)[C@@H]2C1 ZINC001084785803 781834919 /nfs/dbraw/zinc/83/49/19/781834919.db2.gz DWMIEOMLTMNCJL-XMTFNYHQSA-N 0 1 296.414 2.509 20 30 CFEDMN C=CCN1CC[C@@H]2CN(C(=O)[C@@H]3C[C@H]3c3ccccc3)[C@@H]2C1 ZINC001084785803 781834929 /nfs/dbraw/zinc/83/49/29/781834929.db2.gz DWMIEOMLTMNCJL-XMTFNYHQSA-N 0 1 296.414 2.509 20 30 CFEDMN C=CCN1CC(C)(C)CC[C@@H]1CNC(=O)[C@H](C)SC ZINC001098920892 781841846 /nfs/dbraw/zinc/84/18/46/781841846.db2.gz DHPBBKYUKFCYPM-QWHCGFSZSA-N 0 1 284.469 2.531 20 30 CFEDMN C=CCN1CC[C@@H]2CN(C(=O)[C@@H](C=C)c3ccccc3)[C@@H]2C1 ZINC001084846071 781846400 /nfs/dbraw/zinc/84/64/00/781846400.db2.gz RPNVKOZOMOVQKN-FGTMMUONSA-N 0 1 296.414 2.675 20 30 CFEDMN CCCCCCC[N@H+]1CC[C@H]1CN(C)C(=O)[C@H](C)OCC ZINC001230855050 781875136 /nfs/dbraw/zinc/87/51/36/781875136.db2.gz GXVGPGNFILOFEZ-HOTGVXAUSA-N 0 1 298.471 2.915 20 30 CFEDMN C=CCN1C[C@]2(CC1=O)CCCCN2Cc1ccc(C)nc1 ZINC001273259102 781895538 /nfs/dbraw/zinc/89/55/38/781895538.db2.gz LKZUWDZXXFPKMF-GOSISDBHSA-N 0 1 299.418 2.533 20 30 CFEDMN C=CC[N@@H+]1CC[C@@H]2CCN(C(=O)[C@H](C)c3ccccc3)C[C@@H]21 ZINC001085079137 781900003 /nfs/dbraw/zinc/90/00/03/781900003.db2.gz LCHQEQBYGILGHV-NXHRZFHOSA-N 0 1 298.430 2.899 20 30 CFEDMN C[C@@H](N[C@H]1c2ccccc2C[C@@H]1O)c1ccc(C#N)cc1 ZINC000594513801 349437106 /nfs/dbraw/zinc/43/71/06/349437106.db2.gz HPJBUHHMUFZSAC-UUWFMWQGSA-N 0 1 278.355 2.867 20 30 CFEDMN CC[C@@H](CC#N)NCCCc1nc(-c2ccccc2)no1 ZINC000573335996 334929001 /nfs/dbraw/zinc/92/90/01/334929001.db2.gz FNCFYEBTUBSSOU-AWEZNQCLSA-N 0 1 284.363 2.951 20 30 CFEDMN CC[C@H](CC#N)NCCCc1nc(-c2ccccc2)no1 ZINC000573335997 334929065 /nfs/dbraw/zinc/92/90/65/334929065.db2.gz FNCFYEBTUBSSOU-CQSZACIVSA-N 0 1 284.363 2.951 20 30 CFEDMN CCCCN1C(=O)N=NC1SCC1(CC#N)CC1 ZINC000594880296 349492345 /nfs/dbraw/zinc/49/23/45/349492345.db2.gz AVMMKTCMOKWFES-UHFFFAOYSA-N 0 1 266.370 2.570 20 30 CFEDMN N#CCC1CN(CCC(=O)Nc2ccc(Cl)cc2)C1 ZINC000594716989 349479118 /nfs/dbraw/zinc/47/91/18/349479118.db2.gz ZSNOGIUJHCFSRI-UHFFFAOYSA-N 0 1 277.755 2.514 20 30 CFEDMN C=CCCSCCNCc1nccn1CC(F)(F)F ZINC000594959782 349530308 /nfs/dbraw/zinc/53/03/08/349530308.db2.gz DMURMMFULUZRIZ-UHFFFAOYSA-N 0 1 293.358 2.844 20 30 CFEDMN C[C@@H](COc1c(F)cccc1F)NCc1ccc(C#N)o1 ZINC000594973603 349535656 /nfs/dbraw/zinc/53/56/56/349535656.db2.gz NJDQJOUIRCNBFV-JTQLQIEISA-N 0 1 292.285 2.987 20 30 CFEDMN CCn1cncc1CNC(C)(C)c1cccc(C#N)c1 ZINC000594970540 349536174 /nfs/dbraw/zinc/53/61/74/349536174.db2.gz XAFQHFIIHXOCEB-UHFFFAOYSA-N 0 1 268.364 2.800 20 30 CFEDMN CN(Cc1cnc[nH]1)Cc1ccc(C(C)(C)C#N)cc1 ZINC000595590663 349667162 /nfs/dbraw/zinc/66/71/62/349667162.db2.gz AKVXXFRXZGPUBC-UHFFFAOYSA-N 0 1 268.364 2.843 20 30 CFEDMN N#CC[C@H]1CCCN(Cc2cnn(-c3ccccc3)c2)C1 ZINC000595612362 349675783 /nfs/dbraw/zinc/67/57/83/349675783.db2.gz UTASHENAXHBKHD-OAHLLOKOSA-N 0 1 280.375 2.998 20 30 CFEDMN N#Cc1cc(Cl)ccc1CN1C[C@@H]2C[C@H](O)CC[C@@H]2C1 ZINC000595635610 349685078 /nfs/dbraw/zinc/68/50/78/349685078.db2.gz NSMUKPDZQMNHTJ-IVMMDQJWSA-N 0 1 290.794 2.804 20 30 CFEDMN C=CCN(Cc1ccc(C#N)cc1OC)[C@@H](C)COC ZINC000595639896 349686763 /nfs/dbraw/zinc/68/67/63/349686763.db2.gz YRUHLEVDHLQAPQ-ZDUSSCGKSA-N 0 1 274.364 2.590 20 30 CFEDMN Cc1cc(C#N)ccc1CN1CCO[C@@](C)(C2CC2)C1 ZINC000595625318 349681629 /nfs/dbraw/zinc/68/16/29/349681629.db2.gz LHFOOKZWZFQTGO-QGZVFWFLSA-N 0 1 270.376 2.868 20 30 CFEDMN Cc1cc(CN2CCO[C@](C)(C3CC3)C2)ccc1C#N ZINC000595627100 349682565 /nfs/dbraw/zinc/68/25/65/349682565.db2.gz VIRKMLDKINWKFO-KRWDZBQOSA-N 0 1 270.376 2.868 20 30 CFEDMN N#Cc1sccc1N1CCN(CCCCCF)CC1 ZINC000595629844 349683925 /nfs/dbraw/zinc/68/39/25/349683925.db2.gz NQGJVHOIOSOJDL-UHFFFAOYSA-N 0 1 281.400 2.882 20 30 CFEDMN C=CC[C@H]1CCCN(Cc2occc2C(=O)OC)C1 ZINC000595658721 349691999 /nfs/dbraw/zinc/69/19/99/349691999.db2.gz IGOUHVIVPFWNMY-LBPRGKRZSA-N 0 1 263.337 2.854 20 30 CFEDMN C=CC[C@@H]1CCCN(Cc2n[nH]c(C)c2C(=O)OCC)C1 ZINC000595659788 349693146 /nfs/dbraw/zinc/69/31/46/349693146.db2.gz PHFLCIKJHLJAGM-CYBMUJFWSA-N 0 1 291.395 2.683 20 30 CFEDMN C=CCN(Cc1ccc([N+](=O)[O-])cc1)[C@H](C)COC ZINC000595644142 349687839 /nfs/dbraw/zinc/68/78/39/349687839.db2.gz ALDAJVWRDRVMET-GFCCVEGCSA-N 0 1 264.325 2.618 20 30 CFEDMN C[C@@H](O)[C@H]1CCCN1Cc1ccc(C#N)cc1Cl ZINC000595765932 349727513 /nfs/dbraw/zinc/72/75/13/349727513.db2.gz LZAYNELFQNSUSY-QMTHXVAHSA-N 0 1 264.756 2.557 20 30 CFEDMN N#Cc1ccc(CC[N@@H+]2[C@@H]3CCCC[C@H]3C[C@H]2C(=O)[O-])cc1 ZINC000595876444 349759801 /nfs/dbraw/zinc/75/98/01/349759801.db2.gz DRBSHHROBCHOBL-BBWFWOEESA-N 0 1 298.386 2.818 20 30 CFEDMN CCOC(=O)CC(C)(C)CCN1CC[C@](C)(C#N)C1 ZINC000595841373 349751811 /nfs/dbraw/zinc/75/18/11/349751811.db2.gz LBPDYVQGDTVZDP-OAHLLOKOSA-N 0 1 266.385 2.591 20 30 CFEDMN CN(CCCN1CC[C@@](C)(C#N)C1)c1ccccc1 ZINC000595840443 349751916 /nfs/dbraw/zinc/75/19/16/349751916.db2.gz BODLOGJGXCYYQT-INIZCTEOSA-N 0 1 257.381 2.748 20 30 CFEDMN CC(C)(C)C(=O)N1CCC[C@H](CN2CC[C@@](C)(C#N)C2)C1 ZINC000595842602 349752432 /nfs/dbraw/zinc/75/24/32/349752432.db2.gz TZUXHNPJTHGAQK-PBHICJAKSA-N 0 1 291.439 2.507 20 30 CFEDMN C[C@H]1CN(Cc2ccc(C#N)cc2Cl)C[C@]1(C)CO ZINC000595871114 349758664 /nfs/dbraw/zinc/75/86/64/349758664.db2.gz IBOUECPMPAGASX-XHDPSFHLSA-N 0 1 278.783 2.662 20 30 CFEDMN CO[C@@H](CNC[C@@H](C#N)CCC#N)C1CCCCC1 ZINC000596045829 349780052 /nfs/dbraw/zinc/78/00/52/349780052.db2.gz GRGQZGCDHRNPRP-HIFRSBDPSA-N 0 1 263.385 2.615 20 30 CFEDMN CC[C@H](C(=O)N[C@H]1CCC[C@@H]1C#N)N(C)Cc1ccccc1 ZINC000354901731 529617983 /nfs/dbraw/zinc/61/79/83/529617983.db2.gz QXXZKFCKWXMVQG-IXDOHACOSA-N 0 1 299.418 2.705 20 30 CFEDMN CC[C@@H]1CCCC[N@H+]1CCN=c1[n-]c(C#N)c(Cl)s1 ZINC000596126089 349800463 /nfs/dbraw/zinc/80/04/63/349800463.db2.gz JHLRRLKDKPCKKP-SNVBAGLBSA-N 0 1 298.843 2.766 20 30 CFEDMN CCc1nc(C(=O)N[C@@H]2CN(C)C[C@H]2c2ccccc2)co1 ZINC000330064034 529704754 /nfs/dbraw/zinc/70/47/54/529704754.db2.gz QPBXEYJLFUITJF-UONOGXRCSA-N 0 1 299.374 2.639 20 30 CFEDMN CC(C)CC[C@@](C)(O)CNc1nc(C#N)c(Cl)s1 ZINC000596144967 349808065 /nfs/dbraw/zinc/80/80/65/349808065.db2.gz JPTBHABWQBGEMH-GFCCVEGCSA-N 0 1 287.816 2.689 20 30 CFEDMN CSCCCN1CCN(c2cccc(F)c2C#N)CC1 ZINC000157653859 136396025 /nfs/dbraw/zinc/39/60/25/136396025.db2.gz OZAQTBQMOHHHAP-UHFFFAOYSA-N 0 1 293.411 2.572 20 30 CFEDMN N#Cc1ccc(CNc2cccc(N3CCC[NH+]=C3[O-])c2)o1 ZINC000152147935 136394227 /nfs/dbraw/zinc/39/42/27/136394227.db2.gz YBSRSEPFLKVWSO-UHFFFAOYSA-N 0 1 296.330 2.683 20 30 CFEDMN Cn1cc(CCN2CCC[C@@H]2[C@@H](C#N)c2ccccc2)cn1 ZINC000072898137 346947836 /nfs/dbraw/zinc/94/78/36/346947836.db2.gz KPOZNOHRCIIZTJ-ZWKOTPCHSA-N 0 1 294.402 2.734 20 30 CFEDMN N#Cc1ccc(F)c(CN2CC[C@@]3(O)CCCC[C@@H]3C2)c1 ZINC000127955265 187343794 /nfs/dbraw/zinc/34/37/94/187343794.db2.gz ZANWCAOWBWRVOF-WBVHZDCISA-N 0 1 288.366 2.824 20 30 CFEDMN COc1cc(C#N)ccc1CN1CCC(CF)CC1 ZINC000295073480 199331043 /nfs/dbraw/zinc/33/10/43/199331043.db2.gz DGTRQWBNBOYXLH-UHFFFAOYSA-N 0 1 262.328 2.748 20 30 CFEDMN Cc1nsc(N2CCN(C)C3(CCCCC3)C2)c1C#N ZINC000596250596 349840371 /nfs/dbraw/zinc/84/03/71/349840371.db2.gz HGIHDYOPQGXRBV-UHFFFAOYSA-N 0 1 290.436 2.778 20 30 CFEDMN CC(C)c1nsc(NCCc2ccc(C#N)cc2)n1 ZINC000596320729 349862773 /nfs/dbraw/zinc/86/27/73/349862773.db2.gz OTRPDLMXXWJWIV-UHFFFAOYSA-N 0 1 272.377 2.610 20 30 CFEDMN CN1CCC[C@@H]1C(=O)N[C@@H](CCCC#N)c1ccccc1 ZINC000352181201 530056518 /nfs/dbraw/zinc/05/65/18/530056518.db2.gz ZYFHNHWDBKMHIC-JKSUJKDBSA-N 0 1 285.391 2.632 20 30 CFEDMN Cc1cnn([C@@H]2CCCN(C([O-])=[NH+][C@@H]3CCC[C@H]3C)C2)c1 ZINC000328725469 539472365 /nfs/dbraw/zinc/47/23/65/539472365.db2.gz UDIMUMUGKISXEF-RBSFLKMASA-N 0 1 290.411 2.931 20 30 CFEDMN C[C@H]1CCCN(Cc2nnc(-c3cccc(C#N)c3)o2)C1 ZINC000075616440 347087632 /nfs/dbraw/zinc/08/76/32/347087632.db2.gz JDAPWTURKHASFI-LBPRGKRZSA-N 0 1 282.347 2.840 20 30 CFEDMN C[C@H](N(C)CC(=O)Nc1ccc(C#N)cc1)C1(C)CC1 ZINC000177245332 232355353 /nfs/dbraw/zinc/35/53/53/232355353.db2.gz TYRFYVPHVGLGMG-LBPRGKRZSA-N 0 1 271.364 2.617 20 30 CFEDMN CC1(C)OCC[C@H]1NCc1ccc(Cl)cc1C#N ZINC000295129034 199361142 /nfs/dbraw/zinc/36/11/42/199361142.db2.gz AQXJGRZYKKFSJW-CYBMUJFWSA-N 0 1 264.756 2.869 20 30 CFEDMN C[C@@H](NC(=O)c1n[nH]c2ccccc21)c1ccc(C#N)cc1 ZINC000031434099 346293893 /nfs/dbraw/zinc/29/38/93/346293893.db2.gz RJIWYEOSDPNHMU-LLVKDONJSA-N 0 1 290.326 2.926 20 30 CFEDMN CC1CCC(N(C)CC(=O)Nc2nncs2)CC1 ZINC000049000421 346478019 /nfs/dbraw/zinc/47/80/19/346478019.db2.gz XZKUMMPPBWCESR-UHFFFAOYSA-N 0 1 268.386 2.637 20 30 CFEDMN C=C(C)CN(CC)C(=O)CN(CC)Cc1ccccc1 ZINC000052875069 346531299 /nfs/dbraw/zinc/53/12/99/346531299.db2.gz ADKQQHVDHJUQPW-UHFFFAOYSA-N 0 1 274.408 2.933 20 30 CFEDMN COCC#CCN(C)Cc1ccc2ccccc2c1 ZINC000677132491 539550545 /nfs/dbraw/zinc/55/05/45/539550545.db2.gz ACYLUWOVVBCGCI-UHFFFAOYSA-N 0 1 253.345 2.921 20 30 CFEDMN CC(C)(C)c1ccc([C@@H]2CCCN2CC(=O)NCC#N)cc1 ZINC000066494955 346765119 /nfs/dbraw/zinc/76/51/19/346765119.db2.gz JRMSTJLVBPMNLG-INIZCTEOSA-N 0 1 299.418 2.761 20 30 CFEDMN C#CCN1CCC(C(=O)N(C)c2cc(C)cc(C)c2)CC1 ZINC000067210811 346794938 /nfs/dbraw/zinc/79/49/38/346794938.db2.gz IZPGJSATRFRDOL-UHFFFAOYSA-N 0 1 284.403 2.611 20 30 CFEDMN N#C[C@H](c1ccccc1)[C@@H]1CCCN1CCn1cccn1 ZINC000076153996 347126841 /nfs/dbraw/zinc/12/68/41/347126841.db2.gz IUYMJVOHIYMXMI-SJORKVTESA-N 0 1 280.375 2.655 20 30 CFEDMN COCC#CCN1CCC[C@@H]1Cc1ccccc1Cl ZINC000677133391 539556174 /nfs/dbraw/zinc/55/61/74/539556174.db2.gz TTXIOEPTLUYFDJ-OAHLLOKOSA-N 0 1 277.795 2.997 20 30 CFEDMN CC(C)(C#N)CCSc1nc(-c2cccnc2)n[nH]1 ZINC000078963246 347282298 /nfs/dbraw/zinc/28/22/98/347282298.db2.gz NOTKUICXZQAPRR-UHFFFAOYSA-N 0 1 273.365 2.899 20 30 CFEDMN Cc1ccc(CC(=O)Nc2nc(-c3ccco3)n[nH]2)cn1 ZINC000080330512 347353757 /nfs/dbraw/zinc/35/37/57/347353757.db2.gz RHALXTDMKGVRTK-UHFFFAOYSA-N 0 1 283.291 2.599 20 30 CFEDMN CCOC1CCN(Cc2ccc(OC)c(C#N)c2)CC1 ZINC000087833200 347499048 /nfs/dbraw/zinc/49/90/48/347499048.db2.gz JVTNUKWFLNBSPL-UHFFFAOYSA-N 0 1 274.364 2.568 20 30 CFEDMN N#Cc1ccc(CN2CCC[C@H]2C[C@H](O)c2ccco2)o1 ZINC000091958594 347603653 /nfs/dbraw/zinc/60/36/53/347603653.db2.gz SUTJTCPJDABFNO-WFASDCNBSA-N 0 1 286.331 2.832 20 30 CFEDMN CCOC(=O)CC[C@H]1CCCN(Cc2ccc(C#N)o2)C1 ZINC000092093845 347609544 /nfs/dbraw/zinc/60/95/44/347609544.db2.gz POTKMGNFJHLUKK-CYBMUJFWSA-N 0 1 290.363 2.707 20 30 CFEDMN N#Cc1csc(CN2CC[C@H](Oc3ccncc3)C2)c1 ZINC000093866234 347686528 /nfs/dbraw/zinc/68/65/28/347686528.db2.gz WLFGMYPMDBSLFT-AWEZNQCLSA-N 0 1 285.372 2.668 20 30 CFEDMN C[C@H]1CCN(CC#Cc2ccc(C(F)(F)F)cc2)C[C@@H]1O ZINC000093344859 347671081 /nfs/dbraw/zinc/67/10/81/347671081.db2.gz MGBPNQPTBBWQDX-WFASDCNBSA-N 0 1 297.320 2.760 20 30 CFEDMN N#Cc1ccc(CNC(=O)c2n[nH]c3ccccc32)c(F)c1 ZINC000105601472 347729621 /nfs/dbraw/zinc/72/96/21/347729621.db2.gz IGNPZOCFIQHRPP-UHFFFAOYSA-N 0 1 294.289 2.504 20 30 CFEDMN CCO[C@H]1CCCN(Cc2ccc(F)c(C#N)c2)C1 ZINC000121341121 347811448 /nfs/dbraw/zinc/81/14/48/347811448.db2.gz ZTYUEZFPDVLKOL-AWEZNQCLSA-N 0 1 262.328 2.698 20 30 CFEDMN CCO[C@@H]1CCCN(Cc2cc(C#N)ccc2OC)C1 ZINC000130434725 347871072 /nfs/dbraw/zinc/87/10/72/347871072.db2.gz ZJOYDBNBNZKKBU-OAHLLOKOSA-N 0 1 274.364 2.568 20 30 CFEDMN CC#CCCN(CC(=O)Nc1ccc(F)cc1)C(C)C ZINC000156621431 347995849 /nfs/dbraw/zinc/99/58/49/347995849.db2.gz MDOGPOLKJICZJO-UHFFFAOYSA-N 0 1 276.355 2.888 20 30 CFEDMN C=CCN1CCN(Cc2ccc(CC)s2)CC1 ZINC000156804162 347997453 /nfs/dbraw/zinc/99/74/53/347997453.db2.gz TWNMJDKISOASNJ-UHFFFAOYSA-N 0 1 250.411 2.614 20 30 CFEDMN CC#CCN(Cc1ccc(C(=O)NC2CC2)cc1)C1CC1 ZINC000157586741 348001471 /nfs/dbraw/zinc/00/14/71/348001471.db2.gz BGHDXGHNOFKJIK-UHFFFAOYSA-N 0 1 282.387 2.567 20 30 CFEDMN COc1cc(CN2C[C@@H](C)S[C@H](C)C2)ccc1C#N ZINC000235006113 348224263 /nfs/dbraw/zinc/22/42/63/348224263.db2.gz LANMTFNQSPFMTL-VXGBXAGGSA-N 0 1 276.405 2.893 20 30 CFEDMN CCN1CCN(c2ccc(Cl)cc2C#N)C[C@H]1C ZINC000250331021 348287076 /nfs/dbraw/zinc/28/70/76/348287076.db2.gz ONDRBWGEKVVBSN-LLVKDONJSA-N 0 1 263.772 2.742 20 30 CFEDMN C#Cc1cccc(NC(=O)N[C@H]2CCCc3cn[nH]c32)c1 ZINC000268972777 348328993 /nfs/dbraw/zinc/32/89/93/348328993.db2.gz ZZPIMEUDJKBISH-AWEZNQCLSA-N 0 1 280.331 2.590 20 30 CFEDMN N#C[C@H]1CCC[C@@H](NCc2cn3ccccc3n2)C1 ZINC000274228195 348334629 /nfs/dbraw/zinc/33/46/29/348334629.db2.gz RRQAZTFHWGDTPD-QWHCGFSZSA-N 0 1 254.337 2.506 20 30 CFEDMN Cc1ccc2nc([C@H]3CCCN3C(=O)[C@H](C)C#N)[nH]c2c1 ZINC000335999123 348450377 /nfs/dbraw/zinc/45/03/77/348450377.db2.gz QHKAOFFWTIFZGW-BXUZGUMPSA-N 0 1 282.347 2.695 20 30 CFEDMN CC[C@H]1CN(Cc2ccc(C#N)cc2C)[C@@H](C)CO1 ZINC000403881140 348588142 /nfs/dbraw/zinc/58/81/42/348588142.db2.gz TVKDOHYEOWIJDK-BBRMVZONSA-N 0 1 258.365 2.866 20 30 CFEDMN CCn1nccc1C1CCN(Cc2ccc(C#N)cn2)CC1 ZINC000584787736 348716165 /nfs/dbraw/zinc/71/61/65/348716165.db2.gz HHXRBDBJBKVLBE-UHFFFAOYSA-N 0 1 295.390 2.549 20 30 CFEDMN CCN1CCN(c2nc(C(C)(C)C)ccc2C#N)[C@@H](C)C1 ZINC000588068847 348770288 /nfs/dbraw/zinc/77/02/88/348770288.db2.gz HOGJIRCJYOPDBP-ZDUSSCGKSA-N 0 1 286.423 2.781 20 30 CFEDMN Cc1nc([C@H](C)Nc2nc(C(C)(C)C)ccc2C#N)n[nH]1 ZINC000588082459 348771268 /nfs/dbraw/zinc/77/12/68/348771268.db2.gz ATCQLJPEVXEUCB-VIFPVBQESA-N 0 1 284.367 2.850 20 30 CFEDMN CN(C)[C@H](CNC(=O)CCCCCC#N)c1ccsc1 ZINC000588149857 348773281 /nfs/dbraw/zinc/77/32/81/348773281.db2.gz ZJAIFWIVUMQWKI-CQSZACIVSA-N 0 1 293.436 2.941 20 30 CFEDMN CC(C)c1nc([C@H](C)NC(=O)CCCCCC#N)n[nH]1 ZINC000588662222 348791095 /nfs/dbraw/zinc/79/10/95/348791095.db2.gz UHWSNRIRBCSWJS-NSHDSACASA-N 0 1 277.372 2.579 20 30 CFEDMN Cc1[nH]ncc1C1CCN(C(=O)CCCCCC#N)CC1 ZINC000588743183 348793800 /nfs/dbraw/zinc/79/38/00/348793800.db2.gz CPCTWTZWHBJSGZ-UHFFFAOYSA-N 0 1 288.395 2.898 20 30 CFEDMN Cc1cc(CNCc2ccc(C#N)cc2C(F)(F)F)n[nH]1 ZINC000589313728 348826134 /nfs/dbraw/zinc/82/61/34/348826134.db2.gz PBIKZXOQRAQUGL-UHFFFAOYSA-N 0 1 294.280 2.898 20 30 CFEDMN Cc1cc(CNCc2ccc(C#N)cc2C(F)(F)F)[nH]n1 ZINC000589313728 348826138 /nfs/dbraw/zinc/82/61/38/348826138.db2.gz PBIKZXOQRAQUGL-UHFFFAOYSA-N 0 1 294.280 2.898 20 30 CFEDMN COCCN(CCC#N)C[C@H]1CC(C)=C[C@@H](C)C1 ZINC000589498539 348835866 /nfs/dbraw/zinc/83/58/66/348835866.db2.gz XWTQNHMEQJJMGV-UKRRQHHQSA-N 0 1 250.386 2.841 20 30 CFEDMN N#CCCCCCC(=O)Nc1ccccc1-c1nnc[nH]1 ZINC000589842990 348860240 /nfs/dbraw/zinc/86/02/40/348860240.db2.gz LPYGIIUSJKUKEL-UHFFFAOYSA-N 0 1 283.335 2.884 20 30 CFEDMN CC[C@@H]1CN(C)CCN1c1nc(C(F)(F)F)ccc1C#N ZINC000590146889 348878256 /nfs/dbraw/zinc/87/82/56/348878256.db2.gz YBBDVOSSAJWNOK-LLVKDONJSA-N 0 1 298.312 2.502 20 30 CFEDMN COc1cccc2c1CN([C@@H]1CC[C@@H](C#N)C1)CC2 ZINC000590760005 348945025 /nfs/dbraw/zinc/94/50/25/348945025.db2.gz COZIODVRKIMPAY-TZMCWYRMSA-N 0 1 256.349 2.746 20 30 CFEDMN C[C@@H]1Cc2cn[nH]c2[C@H](C(=O)Nc2ccc(CC#N)cc2)C1 ZINC000590416536 348899578 /nfs/dbraw/zinc/89/95/78/348899578.db2.gz IXMMJCXTKSEZPZ-IAQYHMDHSA-N 0 1 294.358 2.780 20 30 CFEDMN Cc1ccc2nc(NC(=O)Cc3cccc(C#N)c3)[nH]c2c1 ZINC000590451877 348901627 /nfs/dbraw/zinc/90/16/27/348901627.db2.gz ZAQZNYDRLOAVCL-UHFFFAOYSA-N 0 1 290.326 2.924 20 30 CFEDMN O=C(N[C@@H]1CCCc2cn[nH]c21)[C@H]1CCc2cccnc21 ZINC000329217639 539691359 /nfs/dbraw/zinc/69/13/59/539691359.db2.gz QMUYKDBUJYGGKA-QWHCGFSZSA-N 0 1 282.347 2.869 20 30 CFEDMN CC1(C#N)CCN(Cc2cc3cccnc3o2)CC1 ZINC000590648321 348920921 /nfs/dbraw/zinc/92/09/21/348920921.db2.gz KHGAKJMKAGVPBH-UHFFFAOYSA-N 0 1 255.321 2.953 20 30 CFEDMN Cc1ccc(Cl)c(OC[C@H](O)CNCC(C)(C)C#N)c1 ZINC000591759100 349042078 /nfs/dbraw/zinc/04/20/78/349042078.db2.gz FETKWQKFEBZIAG-GFCCVEGCSA-N 0 1 296.798 2.528 20 30 CFEDMN N#Cc1cnccc1CN1CC[C@@H](c2ccco2)C1 ZINC000592071029 349078784 /nfs/dbraw/zinc/07/87/84/349078784.db2.gz XRVYDJCBTKLZRJ-CYBMUJFWSA-N 0 1 253.305 2.536 20 30 CFEDMN CCCN(Cc1ccncc1C#N)[C@@H]1[C@@H]2CCO[C@@H]2C1(C)C ZINC000592072064 349079339 /nfs/dbraw/zinc/07/93/39/349079339.db2.gz IFPLIGCLXLDTAX-BBWFWOEESA-N 0 1 299.418 2.979 20 30 CFEDMN C[C@H](NCc1ccncc1C#N)[C@@H]1Oc2ccccc2[C@H]1C ZINC000592103301 349083508 /nfs/dbraw/zinc/08/35/08/349083508.db2.gz GCCILFBGDXPSMC-FHSNZYRGSA-N 0 1 293.370 2.996 20 30 CFEDMN N#Cc1cc(F)cc(C2(c3nc([C@@H]4CCCN4)no3)CC2)c1 ZINC000592356175 349107667 /nfs/dbraw/zinc/10/76/67/349107667.db2.gz FEYSFRIEWRJGDE-ZDUSSCGKSA-N 0 1 298.321 2.585 20 30 CFEDMN N#CC[C@]1(O)CCN(Cc2ccc(C(F)(F)F)cc2)C1 ZINC000592146777 349091157 /nfs/dbraw/zinc/09/11/57/349091157.db2.gz GBDTUAKTGXSYRI-ZDUSSCGKSA-N 0 1 284.281 2.556 20 30 CFEDMN N#CC[C@]1(O)CCN(C/C=C\c2ccc(Cl)cc2)C1 ZINC000592153155 349092576 /nfs/dbraw/zinc/09/25/76/349092576.db2.gz JWRMFTSKACQVNA-OYADATRGSA-N 0 1 276.767 2.704 20 30 CFEDMN N#CC[C@]1(O)CCN(Cc2ccc(-c3ccccc3)o2)C1 ZINC000592524330 349133370 /nfs/dbraw/zinc/13/33/70/349133370.db2.gz XFQXFKQMTYXGDC-KRWDZBQOSA-N 0 1 282.343 2.797 20 30 CFEDMN CC(C)CCN(C)Cc1ccc(C#N)cc1[N+](=O)[O-] ZINC000592997616 349182890 /nfs/dbraw/zinc/18/28/90/349182890.db2.gz FBKSNROWCGUTLW-UHFFFAOYSA-N 0 1 261.325 2.944 20 30 CFEDMN CC(C)(C#N)CCCCN1CC(C)(C)O[C@@H]2COC[C@H]21 ZINC000593114963 349212494 /nfs/dbraw/zinc/21/24/94/349212494.db2.gz BHXKGQAXUIEEET-ZIAGYGMSSA-N 0 1 280.412 2.585 20 30 CFEDMN N#Cc1ccc(F)c(CN2CC[C@]3(CC3(F)F)C2)c1 ZINC000593116712 349213717 /nfs/dbraw/zinc/21/37/17/349213717.db2.gz NYUKJWBDJONAPF-ZDUSSCGKSA-N 0 1 266.266 2.928 20 30 CFEDMN CC[C@H]1CN(CCCC2(C#N)CCOCC2)[C@H](C)CO1 ZINC000593063773 349199516 /nfs/dbraw/zinc/19/95/16/349199516.db2.gz WQNBVZYMPKYHGH-CABCVRRESA-N 0 1 280.412 2.586 20 30 CFEDMN COc1cc(OC)c(CNCC(C)(C)CC#N)cc1F ZINC000593641182 349303032 /nfs/dbraw/zinc/30/30/32/349303032.db2.gz FVNBKMVXTRJCPO-UHFFFAOYSA-N 0 1 280.343 2.872 20 30 CFEDMN CC[C@H](C#N)C(=O)Nc1cc(F)cc(Cl)c1O ZINC000593613697 349299170 /nfs/dbraw/zinc/29/91/70/349299170.db2.gz OVPOUSQPIIZHJA-ZCFIWIBFSA-N 0 1 256.664 2.673 20 30 CFEDMN C=CCCn1cc(CN2CCCC[C@H](SCC)C2)nn1 ZINC000593957787 349340244 /nfs/dbraw/zinc/34/02/44/349340244.db2.gz JFULNTJZYOERFO-HNNXBMFYSA-N 0 1 294.468 2.962 20 30 CFEDMN N#Cc1ccc(CN2CCC[C@H]2c2ccc(O)cc2)nc1 ZINC000593961920 349340892 /nfs/dbraw/zinc/34/08/92/349340892.db2.gz PXJXHNSIKVDSTD-KRWDZBQOSA-N 0 1 279.343 2.996 20 30 CFEDMN N#C[C@@H]1CCC[C@@H]1NCCc1noc2ccccc12 ZINC000593994858 349348336 /nfs/dbraw/zinc/34/83/36/349348336.db2.gz KJUZWWLCEXIZPJ-AAEUAGOBSA-N 0 1 255.321 2.652 20 30 CFEDMN CN1CCC(C#N)(NC(=O)c2cccc(C(C)(C)C)c2)CC1 ZINC000593998313 349349145 /nfs/dbraw/zinc/34/91/45/349349145.db2.gz XLGJNNQDDJJKIH-UHFFFAOYSA-N 0 1 299.418 2.702 20 30 CFEDMN CC[C@@H](N[C@H](C)C(=O)N(C)CCC#N)c1ccccc1F ZINC000594019778 349354857 /nfs/dbraw/zinc/35/48/57/349354857.db2.gz UHCZKKDCDLTEJT-IUODEOHRSA-N 0 1 291.370 2.627 20 30 CFEDMN CCO[C@@H]1C[C@H](NCC2(C#N)CCCC2)[C@H]1SC ZINC000593654562 349305220 /nfs/dbraw/zinc/30/52/20/349305220.db2.gz IAOCSXPZBZPFNK-YNEHKIRRSA-N 0 1 268.426 2.569 20 30 CFEDMN CN1CCN(Cc2ccc(C#N)o2)[C@H](Cc2ccccc2)C1 ZINC000593679066 349308472 /nfs/dbraw/zinc/30/84/72/349308472.db2.gz HNXDPBXNUNRKTB-MRXNPFEDSA-N 0 1 295.386 2.510 20 30 CFEDMN N#Cc1ccc(CSc2nc(C3CC3)n[nH]2)s1 ZINC000594443817 349423627 /nfs/dbraw/zinc/42/36/27/349423627.db2.gz VEGWXWJFOHDQCI-UHFFFAOYSA-N 0 1 262.363 2.908 20 30 CFEDMN N#Cc1ccc(CSc2n[nH]c(C3CC3)n2)s1 ZINC000594443817 349423631 /nfs/dbraw/zinc/42/36/31/349423631.db2.gz VEGWXWJFOHDQCI-UHFFFAOYSA-N 0 1 262.363 2.908 20 30 CFEDMN C[C@@H](CC#N)C(=O)Nc1ccc2nc([C@@H]3CCCO3)[nH]c2c1 ZINC000596966775 350009668 /nfs/dbraw/zinc/00/96/68/350009668.db2.gz BYZRZYJNLXDJND-HZMBPMFUSA-N 0 1 298.346 2.903 20 30 CFEDMN CC[C@@H]1COCCN1Cc1ccc(C2(C#N)CC2)cc1 ZINC000596991940 350012394 /nfs/dbraw/zinc/01/23/94/350012394.db2.gz OYOIKJDUIVZCMV-MRXNPFEDSA-N 0 1 270.376 2.853 20 30 CFEDMN CCC(C)(C)N1CCN(C(=O)c2cccc(CC#N)c2)CC1 ZINC000594390195 349413594 /nfs/dbraw/zinc/41/35/94/349413594.db2.gz UFUXQNHYNNFATQ-UHFFFAOYSA-N 0 1 299.418 2.699 20 30 CFEDMN C[C@@H](c1cccc(C#N)c1)N(C)Cc1cnn2c1CCC2 ZINC000597161915 350042568 /nfs/dbraw/zinc/04/25/68/350042568.db2.gz SQBIAFUFTVCHEH-ZDUSSCGKSA-N 0 1 280.375 2.894 20 30 CFEDMN N#CC[C@H]1CCCN(Cc2cc3cnccc3o2)C1 ZINC000597177517 350045514 /nfs/dbraw/zinc/04/55/14/350045514.db2.gz NYGQJLPHTWTUTH-GFCCVEGCSA-N 0 1 255.321 2.953 20 30 CFEDMN COCCOc1ccccc1CN1CCC[C@@H](CC#N)C1 ZINC000597177600 350045650 /nfs/dbraw/zinc/04/56/50/350045650.db2.gz QDDPYQRICFHLRJ-HNNXBMFYSA-N 0 1 288.391 2.837 20 30 CFEDMN COCC1(C2CCC2)CN(Cc2cccc(C#N)c2)C1 ZINC000597190582 350048659 /nfs/dbraw/zinc/04/86/59/350048659.db2.gz DVVAAEGJJIMRMU-UHFFFAOYSA-N 0 1 270.376 2.807 20 30 CFEDMN N#CCC1CN(Cc2ccc(C3(C#N)CC3)cc2)C1 ZINC000597204532 350054839 /nfs/dbraw/zinc/05/48/39/350054839.db2.gz ZKSRARVZRSQDQO-UHFFFAOYSA-N 0 1 251.333 2.587 20 30 CFEDMN N#CC1(CC(=O)N[C@@H]2CCCc3cn[nH]c32)CCCCC1 ZINC000597394611 350092797 /nfs/dbraw/zinc/09/27/97/350092797.db2.gz FZRCRJAWLXIVJW-CYBMUJFWSA-N 0 1 286.379 2.767 20 30 CFEDMN Cc1ccc2nc(NC(=O)CC3(C#N)CCOCC3)[nH]c2c1 ZINC000597689763 350124437 /nfs/dbraw/zinc/12/44/37/350124437.db2.gz WILGLPOZHTYMAU-UHFFFAOYSA-N 0 1 298.346 2.520 20 30 CFEDMN C[C@@H](C#N)N(C(=O)c1cnc(-c2ccccc2)[nH]1)C1CC1 ZINC000598129504 350203851 /nfs/dbraw/zinc/20/38/51/350203851.db2.gz VHCVRJOKASQASY-NSHDSACASA-N 0 1 280.331 2.593 20 30 CFEDMN N#CCCCCCC(=O)NC[C@@H]1CCN1Cc1ccccc1 ZINC000598508555 350278408 /nfs/dbraw/zinc/27/84/08/350278408.db2.gz CRDWNWJXEUPFDX-KRWDZBQOSA-N 0 1 299.418 2.851 20 30 CFEDMN CC(C)(C#N)C[C@@H](O)CN1CC[C@@H]1c1ccc(F)cc1 ZINC000598626964 350296270 /nfs/dbraw/zinc/29/62/70/350296270.db2.gz MQFOZYXGQMPSDO-HUUCEWRRSA-N 0 1 276.355 2.873 20 30 CFEDMN CC1(C)CC[C@@H](CO)N(Cc2cc(C#N)ccc2F)C1 ZINC000598649338 350302204 /nfs/dbraw/zinc/30/22/04/350302204.db2.gz UIOACKAIFGJBAM-AWEZNQCLSA-N 0 1 276.355 2.680 20 30 CFEDMN CCOc1cncc(CNCc2ccc(CC#N)cc2)c1 ZINC000598651801 350303189 /nfs/dbraw/zinc/30/31/89/350303189.db2.gz VYJXWFCEQIQAGG-UHFFFAOYSA-N 0 1 281.359 2.836 20 30 CFEDMN CCO[C@H]1C[C@@H](N(C)Cc2ccc(C#N)o2)C12CCC2 ZINC000092040959 180311104 /nfs/dbraw/zinc/31/11/04/180311104.db2.gz NSSAIJYQMXPSER-CABCVRRESA-N 0 1 274.364 2.931 20 30 CFEDMN C[C@H]1CN(C)c2ccccc2CN1Cc1ccnc(C#N)c1 ZINC000598797246 350329833 /nfs/dbraw/zinc/32/98/33/350329833.db2.gz JJLNHXLXOOCVKV-AWEZNQCLSA-N 0 1 292.386 2.794 20 30 CFEDMN CCC(F)(F)CN=c1cc(C#N)c2ccccc2[nH]1 ZINC000599148666 350385802 /nfs/dbraw/zinc/38/58/02/350385802.db2.gz KJLFPDADWIYGBL-UHFFFAOYSA-N 0 1 261.275 2.986 20 30 CFEDMN CC(C)COC1CCN(Cc2ccc(C#N)o2)CC1 ZINC000092223116 180345828 /nfs/dbraw/zinc/34/58/28/180345828.db2.gz LMDJRQJJQOUJAQ-UHFFFAOYSA-N 0 1 262.353 2.788 20 30 CFEDMN N#CC1(C[C@@H](O)CN2CC[C@@H]2c2cccc(F)c2)CC1 ZINC000599316192 350413647 /nfs/dbraw/zinc/41/36/47/350413647.db2.gz MGAFIYCPZBYMAU-HUUCEWRRSA-N 0 1 274.339 2.627 20 30 CFEDMN COc1ccc(CN(C)Cc2ccc(C)c(C#N)c2)cn1 ZINC000599342389 350418763 /nfs/dbraw/zinc/41/87/63/350418763.db2.gz ZMGNZVWAIASZNW-UHFFFAOYSA-N 0 1 281.359 2.902 20 30 CFEDMN Cc1ccc(CN2CCOCC3(CCC3)C2)cc1C#N ZINC000599364206 350424463 /nfs/dbraw/zinc/42/44/63/350424463.db2.gz IWZAMYUKQFAHQN-UHFFFAOYSA-N 0 1 270.376 2.869 20 30 CFEDMN Cc1ccc(CN2CC[N@@H+](C)[C@H](C(C)C)C2)cc1C#N ZINC000599384258 350428413 /nfs/dbraw/zinc/42/84/13/350428413.db2.gz KATREIZLBQAHQN-KRWDZBQOSA-N 0 1 271.408 2.639 20 30 CFEDMN N#Cc1cc(Cl)ccc1CN1CCN(CCCF)CC1 ZINC000599669585 350477997 /nfs/dbraw/zinc/47/79/97/350477997.db2.gz LITKDLRSHNSEGX-UHFFFAOYSA-N 0 1 295.789 2.689 20 30 CFEDMN Cc1cc(C)n(CCN2CCc3c(CC#N)cccc3C2)n1 ZINC000599679731 350481131 /nfs/dbraw/zinc/48/11/31/350481131.db2.gz XNUPKWRVHYLIMF-UHFFFAOYSA-N 0 1 294.402 2.624 20 30 CFEDMN C=CC1CCN(Cc2cccc(C(=O)OCC)n2)CC1 ZINC000600116468 350512428 /nfs/dbraw/zinc/51/24/28/350512428.db2.gz MVSDUUKZZFWJJG-UHFFFAOYSA-N 0 1 274.364 2.656 20 30 CFEDMN C=C1CCN(Cc2c(C)[nH]c(C(=O)OCC)c2C)CC1 ZINC000600117725 350513588 /nfs/dbraw/zinc/51/35/88/350513588.db2.gz NLOZEEZVQBWVEV-UHFFFAOYSA-N 0 1 276.380 2.960 20 30 CFEDMN Cc1ncc(CNCCSCc2ccccc2C#N)o1 ZINC000600126092 350515809 /nfs/dbraw/zinc/51/58/09/350515809.db2.gz KXNCYAWABARVJV-UHFFFAOYSA-N 0 1 287.388 2.878 20 30 CFEDMN C=CCN(CCc1ccccc1)Cc1ccnn1C ZINC000092505688 180398391 /nfs/dbraw/zinc/39/83/91/180398391.db2.gz GWDMMKCFIGPRGR-UHFFFAOYSA-N 0 1 255.365 2.651 20 30 CFEDMN Cc1ccc(C[N@@H+]2CCC[C@@H](C)[C@@H]2C(=O)[O-])cc1C#N ZINC000600711054 350599446 /nfs/dbraw/zinc/59/94/46/350599446.db2.gz XCGWWYLZHZBQTP-IUODEOHRSA-N 0 1 272.348 2.552 20 30 CFEDMN C=CC[C@@H](CO)NCc1c(F)cccc1Br ZINC000309599574 539804893 /nfs/dbraw/zinc/80/48/93/539804893.db2.gz VYQGFRTWLBKWAY-VIFPVBQESA-N 0 1 288.160 2.615 20 30 CFEDMN COc1ccc(-c2n[nH]c(S[C@@H](C#N)C3CC3)n2)cc1 ZINC000601072853 350658909 /nfs/dbraw/zinc/65/89/09/350658909.db2.gz VRTLVMVMWRKOSD-LBPRGKRZSA-N 0 1 286.360 2.875 20 30 CFEDMN CCN1C(=O)N=NC1S[C@@H](C#N)CCc1ccccc1 ZINC000601072870 350659273 /nfs/dbraw/zinc/65/92/73/350659273.db2.gz WDBYHHHMJAWCSN-GFCCVEGCSA-N 0 1 288.376 2.621 20 30 CFEDMN CCCCNc1cc(C)nc(N2CCC(C)(C#N)CC2)n1 ZINC000601139525 350679697 /nfs/dbraw/zinc/67/96/97/350679697.db2.gz DVJPSLGOGIHFFJ-UHFFFAOYSA-N 0 1 287.411 2.549 20 30 CFEDMN CC[C@H]1CN(C)CCN1c1ncc(C#N)c2ccsc21 ZINC000601169245 350687347 /nfs/dbraw/zinc/68/73/47/350687347.db2.gz KKOWMEFYOVIZBV-LBPRGKRZSA-N 0 1 286.404 2.698 20 30 CFEDMN Cc1[nH]ncc1CN(C)c1ncc(Cl)c(C)c1C#N ZINC000601182859 350690804 /nfs/dbraw/zinc/69/08/04/350690804.db2.gz ZWMUGRJQVBFHND-UHFFFAOYSA-N 0 1 275.743 2.583 20 30 CFEDMN Cc1[nH]ncc1CN(C)c1nc(C(F)(F)F)ccc1C#N ZINC000601181380 350691029 /nfs/dbraw/zinc/69/10/29/350691029.db2.gz KFIAQCVGGGVLOF-UHFFFAOYSA-N 0 1 295.268 2.640 20 30 CFEDMN N#Cc1ccc(-n2[nH]c3c(c2=O)CSCC3)cc1Cl ZINC000601947956 350815640 /nfs/dbraw/zinc/81/56/40/350815640.db2.gz HCWNOKKJELXRQY-JTQLQIEISA-N 0 1 291.763 2.667 20 30 CFEDMN C[C@H]1CCc2[nH]n(-c3ccc(C#N)c(Cl)c3)c(=O)c21 ZINC000601950044 350816869 /nfs/dbraw/zinc/81/68/69/350816869.db2.gz STYQMADGDXTOKZ-ISVAXAHUSA-N 0 1 273.723 2.960 20 30 CFEDMN CC(C)c1cc(=O)n(-c2ccc(C#N)c(Cl)c2)[nH]1 ZINC000601949999 350816994 /nfs/dbraw/zinc/81/69/94/350816994.db2.gz RSCDYJVFPROBBO-UHFFFAOYSA-N 0 1 261.712 2.960 20 30 CFEDMN Cc1[nH]n([C@H](C)c2ccccc2)c(=O)c1CCC#N ZINC000601941007 350811414 /nfs/dbraw/zinc/81/14/14/350811414.db2.gz WMOUJRGRDRWXMN-OCCSQVGLSA-N 0 1 255.321 2.886 20 30 CFEDMN Cc1[nH]n(-c2cc(C)ccc2F)c(=O)c1CCC#N ZINC000601944454 350812517 /nfs/dbraw/zinc/81/25/17/350812517.db2.gz HBPKIELHRQGWMH-LLVKDONJSA-N 0 1 259.284 2.777 20 30 CFEDMN N#Cc1c(F)cccc1CN[C@@H]1CCCSC1 ZINC000602011578 350830526 /nfs/dbraw/zinc/83/05/26/350830526.db2.gz HXRWHGLQVJGLRX-LLVKDONJSA-N 0 1 250.342 2.683 20 30 CFEDMN CC[C@@H](C)C[C@H](CO)NCc1cccc(F)c1C#N ZINC000602020646 350833728 /nfs/dbraw/zinc/83/37/28/350833728.db2.gz QLPRWDKZTITAII-DGCLKSJQSA-N 0 1 264.344 2.584 20 30 CFEDMN CC[C@@H](NCc1cccc(F)c1C#N)[C@H](O)C(C)C ZINC000602021432 350833848 /nfs/dbraw/zinc/83/38/48/350833848.db2.gz UFYFJLFJTRUWIL-HUUCEWRRSA-N 0 1 264.344 2.582 20 30 CFEDMN CO[C@H]([C@@H](C)NCc1cccc(F)c1C#N)C1CC1 ZINC000602022761 350834042 /nfs/dbraw/zinc/83/40/42/350834042.db2.gz HAMDQZOSNNFVLU-MEBBXXQBSA-N 0 1 262.328 2.600 20 30 CFEDMN N#Cc1cccc(CN[C@H]2CCc3ccc(F)cc32)n1 ZINC000602541059 350918460 /nfs/dbraw/zinc/91/84/60/350918460.db2.gz ZDFOCFHQEGICCQ-INIZCTEOSA-N 0 1 267.307 2.869 20 30 CFEDMN N#Cc1cccc(CNCCOC2CCCCCC2)n1 ZINC000602548338 350919992 /nfs/dbraw/zinc/91/99/92/350919992.db2.gz VZTYGVLWNYXEMU-UHFFFAOYSA-N 0 1 273.380 2.782 20 30 CFEDMN Cc1nc(CN[C@H](C)CC2(C#N)CCOCC2)sc1C ZINC000602557031 350923810 /nfs/dbraw/zinc/92/38/10/350923810.db2.gz JCBABLZXZYRNBO-LLVKDONJSA-N 0 1 293.436 2.949 20 30 CFEDMN C[C@@H](CCC#N)C[N@H+]1CCCN(C(=O)c2ccccc2)CC1 ZINC000602444494 350886133 /nfs/dbraw/zinc/88/61/33/350886133.db2.gz OGDQLQWJMGBVPD-INIZCTEOSA-N 0 1 299.418 2.774 20 30 CFEDMN C[C@H](CCC#N)CN(C)Cc1nccn1CC(F)(F)F ZINC000602460505 350890507 /nfs/dbraw/zinc/89/05/07/350890507.db2.gz UBJZMZFNFIWVKP-LLVKDONJSA-N 0 1 288.317 2.817 20 30 CFEDMN C[C@@H](CC#N)N(C)[C@@H](c1nnc[nH]1)C1CCCCC1 ZINC000602461213 350890655 /nfs/dbraw/zinc/89/06/55/350890655.db2.gz DOILXTBQHRHMOR-WCQYABFASA-N 0 1 261.373 2.660 20 30 CFEDMN C=C(C)C[C@@H](NCc1cnc(-c2ccccc2)[nH]1)C(=O)OC ZINC000602735457 351007420 /nfs/dbraw/zinc/00/74/20/351007420.db2.gz XPKGYJJPYGUIQK-OAHLLOKOSA-N 0 1 299.374 2.674 20 30 CFEDMN Cc1noc([C@H]2CCCCN2C[C@@H](C)CCC#N)n1 ZINC000602652745 350961620 /nfs/dbraw/zinc/96/16/20/350961620.db2.gz FPSKRYJUXYHGCJ-WCQYABFASA-N 0 1 262.357 2.845 20 30 CFEDMN N#Cc1cccc(CN2CCC[C@]3(CCSC3)C2)n1 ZINC000602681140 350975962 /nfs/dbraw/zinc/97/59/62/350975962.db2.gz KRSAPMIDJPTXPO-HNNXBMFYSA-N 0 1 273.405 2.672 20 30 CFEDMN CO[C@H](CNCC1(C#N)CCC1)C1CCCCC1 ZINC000602694173 350982534 /nfs/dbraw/zinc/98/25/34/350982534.db2.gz GVXBIJNNRFSVRT-CQSZACIVSA-N 0 1 250.386 2.865 20 30 CFEDMN C[C@H](CCC#N)CN1CCOc2ccc(O)cc2C1 ZINC000602717479 350998177 /nfs/dbraw/zinc/99/81/77/350998177.db2.gz GNKDPNFCXHXJBE-GFCCVEGCSA-N 0 1 260.337 2.526 20 30 CFEDMN CCC1(CC)CN(C[C@H](C)CCC#N)CC[S@]1=O ZINC000602619513 350949232 /nfs/dbraw/zinc/94/92/32/350949232.db2.gz OMTVCMWSLZSNEK-FZKQIMNGSA-N 0 1 270.442 2.549 20 30 CFEDMN CC(C)[C@@H](NCC1(CC#N)CC1)c1nnc2ccccn21 ZINC000602804466 351032123 /nfs/dbraw/zinc/03/21/23/351032123.db2.gz IGJIUNDXTMKHJI-CQSZACIVSA-N 0 1 283.379 2.710 20 30 CFEDMN CC(C)(C)OC(=O)[C@@H]1CCC[N@@H+](CC2(CC#N)CC2)C1 ZINC000602812410 351034935 /nfs/dbraw/zinc/03/49/35/351034935.db2.gz WBXRIGIVIZSLSG-CYBMUJFWSA-N 0 1 278.396 2.734 20 30 CFEDMN COc1cccc2c1CN(CC1(CC#N)CC1)CC2 ZINC000602840272 351042348 /nfs/dbraw/zinc/04/23/48/351042348.db2.gz MXFYLYIVVPTQPC-UHFFFAOYSA-N 0 1 256.349 2.747 20 30 CFEDMN CSc1cccc(CN2C[C@H](C)N(CC#N)[C@@H](C)C2)c1 ZINC000602850063 351044904 /nfs/dbraw/zinc/04/49/04/351044904.db2.gz OLVZXJRTZYEFBP-KBPBESRZSA-N 0 1 289.448 2.827 20 30 CFEDMN C[C@@H]1CN([C@@H]2CCc3ccc(F)cc32)C[C@H](C)N1CC#N ZINC000602858427 351047601 /nfs/dbraw/zinc/04/76/01/351047601.db2.gz AXOAPXMGDPAOLN-IIYDPXPESA-N 0 1 287.382 2.731 20 30 CFEDMN C[C@H](c1cccc(F)c1)N1C[C@H](C)N(CC#N)[C@@H](C)C1 ZINC000602859829 351048424 /nfs/dbraw/zinc/04/84/24/351048424.db2.gz ZPGBJMQUONMPFZ-MELADBBJSA-N 0 1 275.371 2.805 20 30 CFEDMN C[C@@H](CC#N)NCCC(=O)Nc1cccc(C(F)(F)F)c1 ZINC000602861758 351049545 /nfs/dbraw/zinc/04/95/45/351049545.db2.gz IPAKNVWRRQALGQ-JTQLQIEISA-N 0 1 299.296 2.926 20 30 CFEDMN C[C@@H]1C[N@@H+](CC2(CC#N)CC2)CC[C@@H]1C(=O)OC(C)(C)C ZINC000602916228 351064303 /nfs/dbraw/zinc/06/43/03/351064303.db2.gz MAPJMTSQTQDBSM-KGLIPLIRSA-N 0 1 292.423 2.980 20 30 CFEDMN CC(C)[C@](C)(C#N)NC(=O)[C@H](C)N1CCC(CCF)CC1 ZINC000602949548 351071571 /nfs/dbraw/zinc/07/15/71/351071571.db2.gz HMWMHPDLDLRSFO-BBRMVZONSA-N 0 1 297.418 2.501 20 30 CFEDMN CN(CCC(=O)N(C)c1ccccc1)[C@@H]1CCC[C@@H]1C#N ZINC000602980182 351081287 /nfs/dbraw/zinc/08/12/87/351081287.db2.gz MTICYMJHZQOEOO-GDBMZVCRSA-N 0 1 285.391 2.664 20 30 CFEDMN C[C@@H](c1ccc(C#N)cc1)N1C[C@@H](CO)[C@H](C(F)(F)F)C1 ZINC000602987928 351085417 /nfs/dbraw/zinc/08/54/17/351085417.db2.gz WDCRLSMGPKZCNZ-LEWSCRJBSA-N 0 1 298.308 2.722 20 30 CFEDMN CC(C)(C#N)CCN1CCN(c2cccc(F)c2)CC1 ZINC000603012974 351091013 /nfs/dbraw/zinc/09/10/13/351091013.db2.gz HDXVVBDCLQLDKM-UHFFFAOYSA-N 0 1 275.371 2.888 20 30 CFEDMN CNC(C)(C)c1cn(Cc2ccccc2C(C)(C)C#N)nn1 ZINC000603248537 351125247 /nfs/dbraw/zinc/12/52/47/351125247.db2.gz CSBHATMKHRRLKF-UHFFFAOYSA-N 0 1 297.406 2.582 20 30 CFEDMN C[C@@H](CN(C)[C@H](C(N)=O)c1ccc(C#N)cc1)C(C)(C)C ZINC000603056469 351096761 /nfs/dbraw/zinc/09/67/61/351096761.db2.gz SGDDNQREMZOGCF-WFASDCNBSA-N 0 1 287.407 2.699 20 30 CFEDMN CCc1ccccc1-n1[nH]c(C)c(CCC#N)c1=O ZINC000603921609 351191809 /nfs/dbraw/zinc/19/18/09/351191809.db2.gz ZDNNQQWTJLXXCQ-ZDUSSCGKSA-N 0 1 255.321 2.891 20 30 CFEDMN Cc1[nH]n(-c2ccc(C)cc2C)c(=O)c1CCC#N ZINC000603923695 351191914 /nfs/dbraw/zinc/19/19/14/351191914.db2.gz LUMVJGWFHBTNGH-ZDUSSCGKSA-N 0 1 255.321 2.946 20 30 CFEDMN Cc1nnc([C@H]2CCCN(Cc3ccccc3C#N)C2)o1 ZINC000604553986 351218657 /nfs/dbraw/zinc/21/86/57/351218657.db2.gz IQISDGJHPCHGER-HNNXBMFYSA-N 0 1 282.347 2.629 20 30 CFEDMN CC#CCN1CCC(N2c3ccccc3C[C@@H]2C)CC1 ZINC000607727848 351356436 /nfs/dbraw/zinc/35/64/36/351356436.db2.gz SYTQLHXWWOSIPJ-HNNXBMFYSA-N 0 1 268.404 2.925 20 30 CFEDMN Cc1cc(C)cc(CN2CCN([C@H](C#N)C(C)C)CC2)c1 ZINC000609486734 351503036 /nfs/dbraw/zinc/50/30/36/351503036.db2.gz PYRHUODYNXAXHU-GOSISDBHSA-N 0 1 285.435 2.969 20 30 CFEDMN CC(C)[C@H](C#N)N1CCN([C@@H](C)c2ccccc2)CC1 ZINC000609538625 351506164 /nfs/dbraw/zinc/50/61/64/351506164.db2.gz MKBYGEBMLJJCJM-RDJZCZTQSA-N 0 1 271.408 2.913 20 30 CFEDMN CCC[C@H](C#N)NC(=O)c1ccc(CN(CC)CC)o1 ZINC000608816080 351475534 /nfs/dbraw/zinc/47/55/34/351475534.db2.gz DTFAPYADJYURGS-GFCCVEGCSA-N 0 1 277.368 2.543 20 30 CFEDMN C[S@@](=O)c1ccc(CNCc2ccc(C#N)s2)cc1 ZINC000610574996 351582442 /nfs/dbraw/zinc/58/24/42/351582442.db2.gz WIPDYXSLHWQSDY-LJQANCHMSA-N 0 1 290.413 2.647 20 30 CFEDMN Cc1nn(C)cc1[C@H]1CCCN1Cc1cccc(C#N)c1 ZINC000610729575 351598600 /nfs/dbraw/zinc/59/86/00/351598600.db2.gz OREAJWQQVOSFCN-QGZVFWFLSA-N 0 1 280.375 2.937 20 30 CFEDMN N#Cc1ccc(F)c(CN2CCC3(CCOC3)CC2)c1 ZINC000611177767 351647640 /nfs/dbraw/zinc/64/76/40/351647640.db2.gz ZZWLWPPXBXPPHH-UHFFFAOYSA-N 0 1 274.339 2.700 20 30 CFEDMN COc1ccc(CN(C)Cc2cccc(O)c2)cc1C#N ZINC000610930532 351622554 /nfs/dbraw/zinc/62/25/54/351622554.db2.gz RJUZUQABYOSCEN-UHFFFAOYSA-N 0 1 282.343 2.904 20 30 CFEDMN N#Cc1ccc(CN2CCC[C@H](n3ccnc3)C2)s1 ZINC000611268118 351660994 /nfs/dbraw/zinc/66/09/94/351660994.db2.gz OOSNXYFNUUAZND-LBPRGKRZSA-N 0 1 272.377 2.653 20 30 CFEDMN Cn1cnc2cc(CNCc3ccc(C#N)cc3F)ccc21 ZINC000611376579 351678387 /nfs/dbraw/zinc/67/83/87/351678387.db2.gz RUJBICOWVPIEBT-UHFFFAOYSA-N 0 1 294.333 2.874 20 30 CFEDMN C[C@H](NCC(=O)Nc1ccccc1)c1cccc(C#N)c1 ZINC000611387397 351679377 /nfs/dbraw/zinc/67/93/77/351679377.db2.gz MXFJEJVHGZUWBI-ZDUSSCGKSA-N 0 1 279.343 2.848 20 30 CFEDMN CNC(=O)[C@H](CC(C)C)N[C@H](C)c1ccc(C#N)c(F)c1 ZINC000611476969 351695853 /nfs/dbraw/zinc/69/58/53/351695853.db2.gz ANNUOKSROGEVOO-ABAIWWIYSA-N 0 1 291.370 2.509 20 30 CFEDMN C[C@H]1CCN(CCC(=O)Nc2ccccc2C#N)C[C@@H]1F ZINC000611502610 351700145 /nfs/dbraw/zinc/70/01/45/351700145.db2.gz VWARCSSCAIBNLX-JSGCOSHPSA-N 0 1 289.354 2.567 20 30 CFEDMN CN(C)c1ccnc(NC(=O)C2(C#N)CCCCC2)c1 ZINC000612345361 351806823 /nfs/dbraw/zinc/80/68/23/351806823.db2.gz GJLQFAUAKDOMFP-UHFFFAOYSA-N 0 1 272.352 2.560 20 30 CFEDMN Cc1ccc(C(C)(C)NCc2ccnc(C#N)c2)cn1 ZINC000612745520 351858465 /nfs/dbraw/zinc/85/84/65/351858465.db2.gz PRTOFAIIQVZPCH-UHFFFAOYSA-N 0 1 266.348 2.682 20 30 CFEDMN N#Cc1ccc(CN2CCC(n3ccnc3)CC2)s1 ZINC000122576611 187039055 /nfs/dbraw/zinc/03/90/55/187039055.db2.gz PODPDVYUMYMQHQ-UHFFFAOYSA-N 0 1 272.377 2.653 20 30 CFEDMN Cc1cnc([C@@H](C)NC[C@@H](O)c2ccc(C#N)cc2)s1 ZINC000124313433 187132090 /nfs/dbraw/zinc/13/20/90/187132090.db2.gz LZIUPJGREQXYRM-BXUZGUMPSA-N 0 1 287.388 2.707 20 30 CFEDMN CCCN1CCN(c2nc(C(C)(C)C)ccc2C#N)CC1 ZINC000613411290 351953140 /nfs/dbraw/zinc/95/31/40/351953140.db2.gz DHIGKKRCQWVRJG-UHFFFAOYSA-N 0 1 286.423 2.783 20 30 CFEDMN C[C@H](Nc1nc(C(C)(C)C)ccc1C#N)c1nnc[nH]1 ZINC000613430693 351958486 /nfs/dbraw/zinc/95/84/86/351958486.db2.gz FSKRDWUCWODKSG-VIFPVBQESA-N 0 1 270.340 2.542 20 30 CFEDMN CN(Cc1cnn(C)c1)Cc1ccc(C(C)(C)C#N)cc1 ZINC000614160237 352054279 /nfs/dbraw/zinc/05/42/79/352054279.db2.gz JZXLOOUPVDGOGZ-UHFFFAOYSA-N 0 1 282.391 2.853 20 30 CFEDMN C[C@@H]1CN(C2CC2)C[C@H]1Nc1snc(Cl)c1C#N ZINC000271455527 191146574 /nfs/dbraw/zinc/14/65/74/191146574.db2.gz ZNEWDDZMCIIDMS-GMSGAONNSA-N 0 1 282.800 2.563 20 30 CFEDMN Cc1cc(C#N)ccc1CN1CCC[C@@H](NC(=O)C(C)C)C1 ZINC000614397385 352089222 /nfs/dbraw/zinc/08/92/22/352089222.db2.gz OYBMDBQVFDQWSR-QGZVFWFLSA-N 0 1 299.418 2.603 20 30 CFEDMN Cc1cc(C#N)ccc1CN1CCOC(C)(C)[C@H]1C ZINC000614402657 352090066 /nfs/dbraw/zinc/09/00/66/352090066.db2.gz PBXPIKNBVZMKQD-CYBMUJFWSA-N 0 1 258.365 2.866 20 30 CFEDMN Cc1cc(C#N)ccc1CN[C@H](CO)c1ccsc1 ZINC000614405813 352090676 /nfs/dbraw/zinc/09/06/76/352090676.db2.gz HPBMSIXAGZEGIH-OAHLLOKOSA-N 0 1 272.373 2.751 20 30 CFEDMN C=CCNC(=O)[C@@H](C)N[C@H](C)c1ccccc1OC(C)C ZINC000614573395 352104511 /nfs/dbraw/zinc/10/45/11/352104511.db2.gz DLIUUCJGXSJLPV-ZIAGYGMSSA-N 0 1 290.407 2.815 20 30 CFEDMN COC(=O)c1cccc(CN2CC[C@H]3CCC[C@H]32)c1C#N ZINC000614600769 352106910 /nfs/dbraw/zinc/10/69/10/352106910.db2.gz JIVKRBPPLIQWPU-MLGOLLRUSA-N 0 1 284.359 2.719 20 30 CFEDMN C=C[C@](C)(CC)C(=O)NCc1ccc2nc[nH]c2c1 ZINC000615792062 352242424 /nfs/dbraw/zinc/24/24/24/352242424.db2.gz LDJNTLUIGMFQJG-OAHLLOKOSA-N 0 1 257.337 2.781 20 30 CFEDMN COC(=O)[C@@H]1[C@H]2CCC[C@@H]2CN1Cc1ccc(CC#N)cc1 ZINC000615633128 352221457 /nfs/dbraw/zinc/22/14/57/352221457.db2.gz RPMUSORJTDOBNH-IKGGRYGDSA-N 0 1 298.386 2.526 20 30 CFEDMN C=C(C)[C@H](CC(=O)NCc1ccc2nc[nH]c2c1)OCC ZINC000615792136 352242810 /nfs/dbraw/zinc/24/28/10/352242810.db2.gz NCUPSFSLAAKATQ-HNNXBMFYSA-N 0 1 287.363 2.550 20 30 CFEDMN C=CC[C@@H]1CCCC[C@@H]1NC(=O)CCCCc1cn[nH]n1 ZINC000617042596 352477727 /nfs/dbraw/zinc/47/77/27/352477727.db2.gz TVNDONDJBNMHKI-HIFRSBDPSA-N 0 1 290.411 2.769 20 30 CFEDMN C=CC[C@@H]1CCCC[C@@H]1NC(=O)[C@H]1CCc2[nH]cnc2C1 ZINC000617044057 352478834 /nfs/dbraw/zinc/47/88/34/352478834.db2.gz IDCAELNTRUBEFJ-RDBSUJKOSA-N 0 1 287.407 2.766 20 30 CFEDMN C=CC[C@@H]1CCCC[C@H]1NC(=O)[C@H](C)Cc1cnc[nH]1 ZINC000617044457 352479707 /nfs/dbraw/zinc/47/97/07/352479707.db2.gz NREQERHQCSJHIJ-UMVBOHGHSA-N 0 1 275.396 2.839 20 30 CFEDMN C=CCN(CC=C)C(=O)CNC(C)(C)c1ccccc1F ZINC000292113301 198167131 /nfs/dbraw/zinc/16/71/31/198167131.db2.gz JGOBTAPDTAHLOH-UHFFFAOYSA-N 0 1 290.382 2.851 20 30 CFEDMN C=CC[C@H]1CCCN(C(=O)c2cn[nH]c2-c2ccccn2)C1 ZINC000617778292 352641571 /nfs/dbraw/zinc/64/15/71/352641571.db2.gz CHEGFPNDBLTNNI-ZDUSSCGKSA-N 0 1 296.374 2.900 20 30 CFEDMN C=CC[C@@H]1CCCN(C(=O)c2cn[nH]c2-c2ccccn2)C1 ZINC000617778291 352641840 /nfs/dbraw/zinc/64/18/40/352641840.db2.gz CHEGFPNDBLTNNI-CYBMUJFWSA-N 0 1 296.374 2.900 20 30 CFEDMN CCc1ccccc1CCN1CCN([C@@H](C#N)C(C)C)CC1 ZINC000618289749 352748936 /nfs/dbraw/zinc/74/89/36/352748936.db2.gz YUIZOPJCPSKFTO-IBGZPJMESA-N 0 1 299.462 2.957 20 30 CFEDMN CC(C)[C@@H](C#N)N1CCN(CCCCC(C)(C)C#N)CC1 ZINC000618289689 352748981 /nfs/dbraw/zinc/74/89/81/352748981.db2.gz FQPMCGMEZYTFBU-MRXNPFEDSA-N 0 1 290.455 2.872 20 30 CFEDMN COC(=O)c1cccc(CN[C@@H](C)c2cccc(C#N)c2)n1 ZINC000618540393 352805253 /nfs/dbraw/zinc/80/52/53/352805253.db2.gz YVMINNFIYWWDQB-LBPRGKRZSA-N 0 1 295.342 2.591 20 30 CFEDMN C#CCN(Cc1n[nH]c(C(C)C)n1)Cc1ccc(F)cc1 ZINC000292158854 198185814 /nfs/dbraw/zinc/18/58/14/198185814.db2.gz KHYIZFNNLUAEJW-UHFFFAOYSA-N 0 1 286.354 2.703 20 30 CFEDMN C=CCCCCCN(C)C(=O)[C@@H]1CCc2[nH]cnc2C1 ZINC000669048755 539935904 /nfs/dbraw/zinc/93/59/04/539935904.db2.gz BHLKVRLLWMPCOQ-CYBMUJFWSA-N 0 1 275.396 2.719 20 30 CFEDMN CCN1CCCC[C@@H]1C(=O)N[C@H]1CCc2cc(C#N)ccc21 ZINC000618893269 352907069 /nfs/dbraw/zinc/90/70/69/352907069.db2.gz FSGYAAJEKJKHPJ-DLBZAZTESA-N 0 1 297.402 2.536 20 30 CFEDMN COCC(C)(C)N(C)Cc1cc(C#N)ccc1F ZINC000292225484 198208305 /nfs/dbraw/zinc/20/83/05/198208305.db2.gz VHBOHKMVAUARTD-UHFFFAOYSA-N 0 1 250.317 2.554 20 30 CFEDMN N#Cc1ccc(CNCc2cnc3cnccn23)cc1Cl ZINC000619748761 353063403 /nfs/dbraw/zinc/06/34/03/353063403.db2.gz NPIGBVVLXIOOAC-UHFFFAOYSA-N 0 1 297.749 2.544 20 30 CFEDMN C=C(C)CN(CC)[C@H](C)C(=O)Nc1cccnc1Cl ZINC000155136102 188186002 /nfs/dbraw/zinc/18/60/02/188186002.db2.gz MGJNLRQLELAWIO-LLVKDONJSA-N 0 1 281.787 2.960 20 30 CFEDMN CC#CCCN(C)Cc1cc(Br)cn1C ZINC000156064057 188240362 /nfs/dbraw/zinc/24/03/62/188240362.db2.gz VJTYWDCGMZVFBG-UHFFFAOYSA-N 0 1 269.186 2.633 20 30 CFEDMN CC1(C)CC[C@H](CO)N(CC#Cc2ccccc2)C1 ZINC000621381687 353347273 /nfs/dbraw/zinc/34/72/73/353347273.db2.gz ZKOUXXCVGGDJDU-MRXNPFEDSA-N 0 1 257.377 2.521 20 30 CFEDMN CCc1nnc(SCc2ccc(F)c(C#N)c2)[nH]1 ZINC000158411982 188374401 /nfs/dbraw/zinc/37/44/01/188374401.db2.gz RSPCBLMWNDYCFM-UHFFFAOYSA-N 0 1 262.313 2.670 20 30 CFEDMN CCc1n[nH]c(SCc2ccc(F)c(C#N)c2)n1 ZINC000158411982 188374403 /nfs/dbraw/zinc/37/44/03/188374403.db2.gz RSPCBLMWNDYCFM-UHFFFAOYSA-N 0 1 262.313 2.670 20 30 CFEDMN C=C[C@@H]1CCCCN1C(=O)[C@@H]1C[C@H](C)Cc2c[nH]nc21 ZINC000623213484 353594082 /nfs/dbraw/zinc/59/40/82/353594082.db2.gz YJZLYVKJAZNSKN-MRVWCRGKSA-N 0 1 273.380 2.643 20 30 CFEDMN C=C[C@H](C)NCc1cc(C)c(Br)cn1 ZINC000623445120 353647066 /nfs/dbraw/zinc/64/70/66/353647066.db2.gz CRLRGZHLBYNSAF-VIFPVBQESA-N 0 1 255.159 2.817 20 30 CFEDMN C=C(C)COCCNCc1cc(OCC)c(OC)cc1F ZINC000623449939 353648078 /nfs/dbraw/zinc/64/80/78/353648078.db2.gz PRHUUPGJNKUGKE-UHFFFAOYSA-N 0 1 297.370 2.915 20 30 CFEDMN C=CC[C@H](CO)NCc1c(F)ccc(F)c1Cl ZINC000623491284 353656098 /nfs/dbraw/zinc/65/60/98/353656098.db2.gz MORFDSNBJSOWMW-MRVPVSSYSA-N 0 1 261.699 2.645 20 30 CFEDMN C=CC[C@@H]1CCN(Cc2cn(-c3ccccc3)nn2)C1 ZINC000625701844 354089273 /nfs/dbraw/zinc/08/92/73/354089273.db2.gz TWSFTSUHZMYOAG-CQSZACIVSA-N 0 1 268.364 2.665 20 30 CFEDMN C=CC[C@H]1CCN(Cc2nnc(-c3ccccc3)n2C)C1 ZINC000625705372 354092542 /nfs/dbraw/zinc/09/25/42/354092542.db2.gz UYSUBMQHGPZZNC-AWEZNQCLSA-N 0 1 282.391 2.880 20 30 CFEDMN CC#CCCN1CCC[C@@]2(CC(=O)c3ccccc3O2)C1 ZINC000625803731 354116112 /nfs/dbraw/zinc/11/61/12/354116112.db2.gz RHGFVVSTQHAOJT-GOSISDBHSA-N 0 1 283.371 2.900 20 30 CFEDMN FCCCN1CCN(CC#Cc2ccc(Cl)cc2)CC1 ZINC000626069903 354186752 /nfs/dbraw/zinc/18/67/52/354186752.db2.gz PZUHWWDSRSEURQ-UHFFFAOYSA-N 0 1 294.801 2.669 20 30 CFEDMN C=CCCCC[N@@H+]1CC[C@H](C(=O)[O-])[C@H]2CCC[C@@H]21 ZINC000629374610 354793365 /nfs/dbraw/zinc/79/33/65/354793365.db2.gz TVWSXGXCICKSJV-RDBSUJKOSA-N 0 1 251.370 2.918 20 30 CFEDMN C=CCN(CC=C)C(=O)NC[C@H]1CCN1Cc1ccccc1 ZINC000667332517 540050007 /nfs/dbraw/zinc/05/00/07/540050007.db2.gz CRFYSSMCPSWHML-QGZVFWFLSA-N 0 1 299.418 2.645 20 30 CFEDMN N#Cc1ccc(F)cc1CN1CCC[C@@H]2COCC[C@H]21 ZINC000336605453 283152355 /nfs/dbraw/zinc/15/23/55/283152355.db2.gz VPDMYOHUDWVHCO-CZUORRHYSA-N 0 1 274.339 2.698 20 30 CFEDMN N#Cc1ccccc1CN1C[C@H](O)C[C@H]1c1ccccc1 ZINC000335251568 283214126 /nfs/dbraw/zinc/21/41/26/283214126.db2.gz YJPXMDZSYZYRON-MSOLQXFVSA-N 0 1 278.355 2.866 20 30 CFEDMN C=CCC1(NC(=O)CCc2cnc[nH]2)CCCCC1 ZINC000456371387 540267241 /nfs/dbraw/zinc/26/72/41/540267241.db2.gz SXIJBBNMYFGMOJ-UHFFFAOYSA-N 0 1 261.369 2.738 20 30 CFEDMN C=CCOCCN1CCN([C@H](C)c2ccsc2)CC1 ZINC000294337579 199003802 /nfs/dbraw/zinc/00/38/02/199003802.db2.gz ANKSSZHLXULVCJ-CQSZACIVSA-N 0 1 280.437 2.629 20 30 CFEDMN CO[C@H]1CCN(Cc2ccc(C#N)s2)CC1(C)C ZINC000294709479 199145883 /nfs/dbraw/zinc/14/58/83/199145883.db2.gz BVDSXCIPNFLBLK-ZDUSSCGKSA-N 0 1 264.394 2.867 20 30 CFEDMN N#Cc1cccc(Cl)c1NCc1n[nH]c(C2CC2)n1 ZINC000294864703 199219427 /nfs/dbraw/zinc/21/94/27/199219427.db2.gz CLXWEZYQKVPEBL-UHFFFAOYSA-N 0 1 273.727 2.819 20 30 CFEDMN C=CCN(CC=C)C(=O)[C@@H](C)N[C@H](C)c1cnccc1C ZINC000679946666 542256057 /nfs/dbraw/zinc/25/60/57/542256057.db2.gz XSWMFDSWDQHETK-HUUCEWRRSA-N 0 1 287.407 2.630 20 30 CFEDMN C=C[C@@](C)(CC)C(=O)NCc1ccc2cncn2c1 ZINC000297161671 200102171 /nfs/dbraw/zinc/10/21/71/200102171.db2.gz JJRSOBLHAKTSEG-HNNXBMFYSA-N 0 1 257.337 2.553 20 30 CFEDMN C=CCN1C(=O)N=NC1S[C@H]1CCc2ccccc21 ZINC000683738701 540777769 /nfs/dbraw/zinc/77/77/69/540777769.db2.gz GUHRXEGHABORAI-LBPRGKRZSA-N 0 1 273.361 2.949 20 30 CFEDMN Cc1oc(NC(=O)CN(C(C)C)C2CC2)c(C#N)c1C ZINC000178711499 189139604 /nfs/dbraw/zinc/13/96/04/189139604.db2.gz FSEQIFSPHWRMKI-UHFFFAOYSA-N 0 1 275.352 2.579 20 30 CFEDMN CCC(C#N)(CC)C(=O)NCc1nc2cccc(C)c2[nH]1 ZINC000528936583 383680600 /nfs/dbraw/zinc/68/06/00/383680600.db2.gz YJMOAPQMSHNZFI-UHFFFAOYSA-N 0 1 284.363 2.818 20 30 CFEDMN C=CCCCC(=O)N1CCC[C@H](c2n[nH]c(C3CC3)n2)C1 ZINC000179353784 189188017 /nfs/dbraw/zinc/18/80/17/189188017.db2.gz ITHIIEYFGXAOFS-ZDUSSCGKSA-N 0 1 288.395 2.744 20 30 CFEDMN C=CCOc1ccc(CN2CC[C@](C)(O)C2)cc1Cl ZINC000180184458 189242150 /nfs/dbraw/zinc/24/21/50/189242150.db2.gz NQMZLHWZSOEHEC-HNNXBMFYSA-N 0 1 281.783 2.862 20 30 CFEDMN N#Cc1cccc(NCCc2nc3ccc(F)cc3[nH]2)n1 ZINC000301698693 201146852 /nfs/dbraw/zinc/14/68/52/201146852.db2.gz CJWANKFIHFBUNU-UHFFFAOYSA-N 0 1 281.294 2.623 20 30 CFEDMN C=CCOc1cccc(NC(=O)[C@H]2CCc3[nH]cnc3C2)c1 ZINC000667100971 541186113 /nfs/dbraw/zinc/18/61/13/541186113.db2.gz IVUFSOAMCSWOAJ-LBPRGKRZSA-N 0 1 297.358 2.718 20 30 CFEDMN N#Cc1cccc(C[NH2+][C@@H](C(=O)[O-])c2cccs2)c1 ZINC000426783044 239262057 /nfs/dbraw/zinc/26/20/57/239262057.db2.gz ILKZAISZOYBPGU-CYBMUJFWSA-N 0 1 272.329 2.535 20 30 CFEDMN C=CCC[C@@H](CO)N[C@H](C)c1nc(C)sc1C ZINC000321413808 541328289 /nfs/dbraw/zinc/32/82/89/541328289.db2.gz JQBLCMLCXUHPLC-SKDRFNHKSA-N 0 1 254.399 2.738 20 30 CFEDMN CN(Cc1n[nH]c(C(C)(C)C)n1)Cc1cccc(C#N)c1 ZINC000432942722 240071862 /nfs/dbraw/zinc/07/18/62/240071862.db2.gz HUERCGBLTLLWTH-UHFFFAOYSA-N 0 1 283.379 2.606 20 30 CFEDMN C=CCOCCN[C@@H](COC)c1cccc(Cl)c1F ZINC000672607886 541444317 /nfs/dbraw/zinc/44/43/17/541444317.db2.gz PHCVYPTXYCEPDK-ZDUSSCGKSA-N 0 1 287.762 2.959 20 30 CFEDMN COc1ncccc1CNCc1ccc(C#N)c(C)c1 ZINC000443989013 241102443 /nfs/dbraw/zinc/10/24/43/241102443.db2.gz QFNLYIUOMGDEIX-UHFFFAOYSA-N 0 1 267.332 2.560 20 30 CFEDMN C[C@@H]1CN(CCCOc2cccc(C#N)c2)[C@@H](C)[C@H](C)O1 ZINC000446083973 241278475 /nfs/dbraw/zinc/27/84/75/241278475.db2.gz SQKXNGYASAEIOD-ILXRZTDVSA-N 0 1 288.391 2.825 20 30 CFEDMN CO[C@H]1C[C@H](N(C)Cc2ccc(C#N)o2)C12CCC2 ZINC000449628001 242075019 /nfs/dbraw/zinc/07/50/19/242075019.db2.gz BKDBUCPVNHXXOQ-KBPBESRZSA-N 0 1 260.337 2.541 20 30 CFEDMN COC[C@@H]1CCCN1CC#Cc1ccc(Cl)cc1 ZINC000674466479 541569543 /nfs/dbraw/zinc/56/95/43/541569543.db2.gz LASWEVVQIHPLJY-HNNXBMFYSA-N 0 1 263.768 2.802 20 30 CFEDMN C=CCCN(C)C(=O)NC[C@H](c1ccco1)N1CCCC1 ZINC000276238868 193253517 /nfs/dbraw/zinc/25/35/17/193253517.db2.gz BUXZJMSLGQFVOM-CQSZACIVSA-N 0 1 291.395 2.634 20 30 CFEDMN C=CCCN(C)CC(=O)Nc1cc(Cl)ccc1F ZINC000276472644 193344972 /nfs/dbraw/zinc/34/49/72/193344972.db2.gz RTDFTCVDMYFJBW-UHFFFAOYSA-N 0 1 270.735 2.926 20 30 CFEDMN C=CCCN(C)[C@H](C)C(=O)Nc1ccc(OCC)cc1 ZINC000276520954 193366582 /nfs/dbraw/zinc/36/65/82/193366582.db2.gz YSJDPVUHEQSKIS-CYBMUJFWSA-N 0 1 276.380 2.920 20 30 CFEDMN C[C@@H](O)[C@H]1C[C@H](C)CCN1Cc1cn2ccccc2c1C#N ZINC000332239696 204545418 /nfs/dbraw/zinc/54/54/18/204545418.db2.gz OZWVESNXWCRGMM-HBUWYVDXSA-N 0 1 297.402 2.792 20 30 CFEDMN CCN1CCN([C@H](C#N)c2cccc(Cl)c2)CC1 ZINC000019934416 372212182 /nfs/dbraw/zinc/21/21/82/372212182.db2.gz XABKOBXZGYBNEN-CQSZACIVSA-N 0 1 263.772 2.542 20 30 CFEDMN CC[C@H]1CCCN(CC(=O)Nc2ccc(C#N)cc2)C1 ZINC000030142067 372390642 /nfs/dbraw/zinc/39/06/42/372390642.db2.gz OLWGLKFLVQCYOX-ZDUSSCGKSA-N 0 1 271.364 2.619 20 30 CFEDMN C=C[C@@H](CC(=O)NCc1cc(C)[nH]n1)c1ccccc1 ZINC000677551100 541874822 /nfs/dbraw/zinc/87/48/22/541874822.db2.gz YBKFQVIHOVVGNA-ZDUSSCGKSA-N 0 1 269.348 2.694 20 30 CFEDMN C=C[C@H](CC(=O)N1CC[N@H+](CC)[C@H](C)C1)c1ccccc1 ZINC000677589258 541879731 /nfs/dbraw/zinc/87/97/31/541879731.db2.gz TUHRNDAGWOPXOT-HZPDHXFCSA-N 0 1 286.419 2.899 20 30 CFEDMN C=C[C@H](CC(=O)N1CCN(CC)[C@H](C)C1)c1ccccc1 ZINC000677589258 541879733 /nfs/dbraw/zinc/87/97/33/541879733.db2.gz TUHRNDAGWOPXOT-HZPDHXFCSA-N 0 1 286.419 2.899 20 30 CFEDMN COc1ccccc1C(=O)C(C#N)c1nc(C)cs1 ZINC000041520425 372846272 /nfs/dbraw/zinc/84/62/72/372846272.db2.gz FTWDZAPWYQTYTN-LLVKDONJSA-N 0 1 272.329 2.950 20 30 CFEDMN N#Cc1cccc(C(=O)C(C#N)c2nc3ccccc3[nH]2)c1 ZINC000046706226 373060861 /nfs/dbraw/zinc/06/08/61/373060861.db2.gz BNIVNEAHJPAHGW-CYBMUJFWSA-N 0 1 286.294 2.925 20 30 CFEDMN COc1cc(CN[C@@H](C)c2ccncc2)ccc1C#N ZINC000234939414 220228293 /nfs/dbraw/zinc/22/82/93/220228293.db2.gz PGQCMHGODKJRBB-LBPRGKRZSA-N 0 1 267.332 2.813 20 30 CFEDMN C=CCN(CCOCC)Cc1cccc([N+](=O)[O-])c1 ZINC000063381211 373802277 /nfs/dbraw/zinc/80/22/77/373802277.db2.gz LMZUYISLGOCASN-UHFFFAOYSA-N 0 1 264.325 2.619 20 30 CFEDMN Cc1ncsc1CN(C)CCOc1cccc(C#N)c1 ZINC000066563721 373939171 /nfs/dbraw/zinc/93/91/71/373939171.db2.gz LCAKFJHKPOBWBF-UHFFFAOYSA-N 0 1 287.388 2.834 20 30 CFEDMN N#CC(C(=O)c1ccc(Br)o1)c1ccccn1 ZINC000072590861 374268499 /nfs/dbraw/zinc/26/84/99/374268499.db2.gz IWCGDJPEFUUVSL-MRVPVSSYSA-N 0 1 291.104 2.927 20 30 CFEDMN C=CCOc1cccc(NC(=O)c2cnc3nc[nH]c3c2)c1 ZINC000677868264 541915729 /nfs/dbraw/zinc/91/57/29/541915729.db2.gz MBCYFFJQJJAZPS-UHFFFAOYSA-N 0 1 294.314 2.775 20 30 CFEDMN C=C(C)CN(CC)C(=O)[C@@H](C)N1CCC(C)(F)CC1 ZINC000640070457 383699326 /nfs/dbraw/zinc/69/93/26/383699326.db2.gz ICBMPLHSSYAMOZ-CYBMUJFWSA-N 0 1 270.392 2.624 20 30 CFEDMN C=C(C)[C@H](CO)N(C)Cc1ccc(Cl)c(F)c1 ZINC000678049629 541942389 /nfs/dbraw/zinc/94/23/89/541942389.db2.gz NIZRSZBAWYPUGS-ZDUSSCGKSA-N 0 1 257.736 2.848 20 30 CFEDMN C[C@@H]1CCCN(Cc2nnc(-c3ccc(C#N)cc3)o2)C1 ZINC000075616392 374496255 /nfs/dbraw/zinc/49/62/55/374496255.db2.gz WIHDMROELXPOHF-GFCCVEGCSA-N 0 1 282.347 2.840 20 30 CFEDMN C=CCCCN(C)CC(=O)Nc1c(C)cccc1[N+](=O)[O-] ZINC000076734771 374557487 /nfs/dbraw/zinc/55/74/87/374557487.db2.gz WZNRPRMKJRUMEC-UHFFFAOYSA-N 0 1 291.351 2.740 20 30 CFEDMN CN(C)c1ccc(C(=O)Nc2nc(-c3ccco3)n[nH]2)cc1 ZINC000078868628 374570859 /nfs/dbraw/zinc/57/08/59/374570859.db2.gz YFIIVBDCZQYXJY-UHFFFAOYSA-N 0 1 297.318 2.767 20 30 CFEDMN CCc1cc(C#N)c(NC(=O)c2ccc([N+](=O)[O-])o2)s1 ZINC000079263057 374600915 /nfs/dbraw/zinc/60/09/15/374600915.db2.gz OQSQFWUECDHPDE-UHFFFAOYSA-N 0 1 291.288 2.936 20 30 CFEDMN C[N@H+]1CCN(CCC(C)(C)C#N)[C@@H](c2ccccc2)C1 ZINC000087595028 374825990 /nfs/dbraw/zinc/82/59/90/374825990.db2.gz NVFMCUBCHRWGTL-MRXNPFEDSA-N 0 1 271.408 2.915 20 30 CFEDMN C[C@H](NCCOc1ccc(C#N)cc1)c1nccs1 ZINC000090107039 374991321 /nfs/dbraw/zinc/99/13/21/374991321.db2.gz HAPBIRMNWTVBEW-NSHDSACASA-N 0 1 273.361 2.744 20 30 CFEDMN CCCN(CC(=O)OCC)CC(C)(C)CCC#N ZINC000092380594 375105817 /nfs/dbraw/zinc/10/58/17/375105817.db2.gz XGEIOKIRSYVIKU-UHFFFAOYSA-N 0 1 254.374 2.591 20 30 CFEDMN COCCN(Cc1ccc(C#N)cc1)Cc1cccc(O)c1 ZINC000092567917 375125257 /nfs/dbraw/zinc/12/52/57/375125257.db2.gz JWYGMNNKQJXUNJ-UHFFFAOYSA-N 0 1 296.370 2.912 20 30 CFEDMN N#Cc1ccc2ncc(CN3CCC4(CCC4)C3)n2c1 ZINC000093455856 375244320 /nfs/dbraw/zinc/24/43/20/375244320.db2.gz JLBDBWDIQKEERB-UHFFFAOYSA-N 0 1 266.348 2.582 20 30 CFEDMN C=CCOc1ccc(C(=O)N(C)Cc2cn[nH]c2C)cc1 ZINC000636064602 383706629 /nfs/dbraw/zinc/70/66/29/383706629.db2.gz CQHCTMXSWYEAED-UHFFFAOYSA-N 0 1 285.347 2.555 20 30 CFEDMN C=CCc1cc(CN2CCCOC[C@H]2C)cc(OC)c1O ZINC000678272369 541994391 /nfs/dbraw/zinc/99/43/91/541994391.db2.gz FAEKRTTZRRFPIK-CYBMUJFWSA-N 0 1 291.391 2.740 20 30 CFEDMN C=CCN(CCc1ccco1)C(=O)c1cc(C(F)F)[nH]n1 ZINC000640091412 383707581 /nfs/dbraw/zinc/70/75/81/383707581.db2.gz NNVSZGDOLNNWBE-UHFFFAOYSA-N 0 1 295.289 2.811 20 30 CFEDMN C=C(C)CN(CC)[C@H](C)C(=O)NCCc1cccs1 ZINC000102669962 375686280 /nfs/dbraw/zinc/68/62/80/375686280.db2.gz DREFHXDJRSEODT-CYBMUJFWSA-N 0 1 280.437 2.693 20 30 CFEDMN CO[C@H]1C[C@@H](N(C)Cc2ccc(C#N)cc2Cl)C1 ZINC000510092529 247194465 /nfs/dbraw/zinc/19/44/65/247194465.db2.gz SKUBHPNBIBOLQN-BETUJISGSA-N 0 1 264.756 2.821 20 30 CFEDMN CN(Cc1cccc(F)c1C#N)[C@@H](CO)CC(C)(C)C ZINC000451793793 383709170 /nfs/dbraw/zinc/70/91/70/383709170.db2.gz WANFEZFDSKCZTE-CYBMUJFWSA-N 0 1 278.371 2.926 20 30 CFEDMN CCN(CCC(=O)Nc1ccc(OC)cc1)C[C@H](C)C#N ZINC000103469582 375749096 /nfs/dbraw/zinc/74/90/96/375749096.db2.gz CMEJPRXPQKZMJU-CYBMUJFWSA-N 0 1 289.379 2.505 20 30 CFEDMN C=C(CC)C[N@@H+](C)CC(=O)N(C)C1CCCCC1 ZINC000678623692 542055933 /nfs/dbraw/zinc/05/59/33/542055933.db2.gz SYTDVEIRRLUGJN-UHFFFAOYSA-N 0 1 252.402 2.676 20 30 CFEDMN C=C(CC)CN(C)CC(=O)N(C)C1CCCCC1 ZINC000678623692 542055938 /nfs/dbraw/zinc/05/59/38/542055938.db2.gz SYTDVEIRRLUGJN-UHFFFAOYSA-N 0 1 252.402 2.676 20 30 CFEDMN CCOc1ccccc1[C@H](CC)NCC#CCOC ZINC000678742940 542063912 /nfs/dbraw/zinc/06/39/12/542063912.db2.gz BAGQPZYRWJRALA-HNNXBMFYSA-N 0 1 261.365 2.776 20 30 CFEDMN CC[C@H](NCC#CCOC)c1cc(F)ccc1F ZINC000678782007 542069249 /nfs/dbraw/zinc/06/92/49/542069249.db2.gz FUAXIUILGYKDBB-AWEZNQCLSA-N 0 1 253.292 2.655 20 30 CFEDMN C=C(C)[C@H](CO)N[C@@H](CC)c1ccc(F)cc1F ZINC000678782538 542069359 /nfs/dbraw/zinc/06/93/59/542069359.db2.gz IANDROKEABLPOA-KBPBESRZSA-N 0 1 255.308 2.943 20 30 CFEDMN C=CC[N@@H+](Cc1cccs1)[C@H](CCC)C(=O)[O-] ZINC000574644298 335036704 /nfs/dbraw/zinc/03/67/04/335036704.db2.gz PBBNETZGZDRSNH-GFCCVEGCSA-N 0 1 253.367 2.989 20 30 CFEDMN C[C@@H]1CN(CCOc2ccc(C#N)cc2)CC2(CCC2)O1 ZINC000571638299 383712607 /nfs/dbraw/zinc/71/26/07/383712607.db2.gz BOAMZAXVERGAOO-CQSZACIVSA-N 0 1 286.375 2.580 20 30 CFEDMN COc1cc(C#N)ccc1CN(C)C[C@H]1CCCCO1 ZINC000120690727 376669264 /nfs/dbraw/zinc/66/92/64/376669264.db2.gz DDLYNDLUFBLMIW-OAHLLOKOSA-N 0 1 274.364 2.568 20 30 CFEDMN CCc1noc(C)c1NC(=O)c1c(F)cc(C#N)cc1F ZINC000121075533 376757075 /nfs/dbraw/zinc/75/70/75/376757075.db2.gz GEIKYTOTTTZDMM-UHFFFAOYSA-N 0 1 291.257 2.948 20 30 CFEDMN C[C@H](c1ccc(C#N)cc1)N1CCCN(C(=O)C2CC2)CC1 ZINC000121261834 376793293 /nfs/dbraw/zinc/79/32/93/376793293.db2.gz TYRCAKKAPMZRRS-CQSZACIVSA-N 0 1 297.402 2.564 20 30 CFEDMN C=CCC[C@H](O)CN(CC=C)Cc1cccc([N+](=O)[O-])c1 ZINC000124463803 377052314 /nfs/dbraw/zinc/05/23/14/377052314.db2.gz BSBJQBHYEPHPIS-INIZCTEOSA-N 0 1 290.363 2.910 20 30 CFEDMN C=C(C)COCCNCc1cn2cc(Cl)ccc2n1 ZINC000125792534 377192086 /nfs/dbraw/zinc/19/20/86/377192086.db2.gz WINVPXVTWKSVIO-UHFFFAOYSA-N 0 1 279.771 2.670 20 30 CFEDMN C[C@H](Cc1cnc[nH]1)C(=O)N[C@@](C)(C#N)C1CCCCC1 ZINC000571700489 383718726 /nfs/dbraw/zinc/71/87/26/383718726.db2.gz UJVMGLBGVPPSED-WBMJQRKESA-N 0 1 288.395 2.567 20 30 CFEDMN C=CCN(CCc1ccccc1)Cc1cn2cccnc2n1 ZINC000126242008 377220324 /nfs/dbraw/zinc/22/03/24/377220324.db2.gz GZZKDZQMJRIPDQ-UHFFFAOYSA-N 0 1 292.386 2.960 20 30 CFEDMN N#CCN(C(=O)c1cc(-c2ccccc2)[nH]n1)C1CCCC1 ZINC000128230367 377325135 /nfs/dbraw/zinc/32/51/35/377325135.db2.gz MSROCYYTSNEWSG-UHFFFAOYSA-N 0 1 294.358 2.985 20 30 CFEDMN COC(=O)c1cc(CN[C@H](CCC#N)c2ccccc2)c[nH]1 ZINC000130534194 377572763 /nfs/dbraw/zinc/57/27/63/377572763.db2.gz SUSRFPDOGWJLIP-OAHLLOKOSA-N 0 1 297.358 2.936 20 30 CFEDMN Cc1ccc(O)c(CN(C)Cc2cccc(C#N)c2)n1 ZINC000130752613 377605651 /nfs/dbraw/zinc/60/56/51/377605651.db2.gz PAWQCBVBPSBSCP-UHFFFAOYSA-N 0 1 267.332 2.599 20 30 CFEDMN C=CCN(Cc1ccccc1)C(=O)CN(CC)C1CC1 ZINC000130959577 377638181 /nfs/dbraw/zinc/63/81/81/377638181.db2.gz AYCCFNIDINRXIR-UHFFFAOYSA-N 0 1 272.392 2.686 20 30 CFEDMN C=CCNC(=O)[C@@H](C)N(CC)Cc1ccccc1C ZINC000133994388 377973982 /nfs/dbraw/zinc/97/39/82/377973982.db2.gz BJDBHOYIPPIRMX-CQSZACIVSA-N 0 1 260.381 2.508 20 30 CFEDMN C=C[C@](C)(CC)C(=O)NCCc1nc2ccc(F)cc2[nH]1 ZINC000135088393 378082034 /nfs/dbraw/zinc/08/20/34/378082034.db2.gz BGMJBMYESXFAGW-MRXNPFEDSA-N 0 1 289.354 2.963 20 30 CFEDMN CN(CCC1CC1)Cc1nnc(-c2ccc(C#N)cc2)o1 ZINC000135301665 378113601 /nfs/dbraw/zinc/11/36/01/378113601.db2.gz CDXHOTQDSBFCNT-UHFFFAOYSA-N 0 1 282.347 2.840 20 30 CFEDMN COc1ccc(CN2CCSC(C)(C)C2)cc1C#N ZINC000135136681 378088049 /nfs/dbraw/zinc/08/80/49/378088049.db2.gz AIPGJRZRICGHLR-UHFFFAOYSA-N 0 1 276.405 2.894 20 30 CFEDMN COCc1ccccc1CNCc1ccc(C#N)o1 ZINC000135139320 378089738 /nfs/dbraw/zinc/08/97/38/378089738.db2.gz XYSYJHRNKYMYNW-UHFFFAOYSA-N 0 1 256.305 2.587 20 30 CFEDMN CN(CCC1CC1)CC(=O)N(CCC#N)c1ccccc1 ZINC000135275666 378108970 /nfs/dbraw/zinc/10/89/70/378108970.db2.gz FYHIZHZRQBOACA-UHFFFAOYSA-N 0 1 285.391 2.665 20 30 CFEDMN Cn1ncc2c1CCC[C@H]2NCc1ccc(C#N)s1 ZINC000135679027 378156532 /nfs/dbraw/zinc/15/65/32/378156532.db2.gz SJHQIQFZPIWVKY-CYBMUJFWSA-N 0 1 272.377 2.520 20 30 CFEDMN C=C(C)CN(C)Cc1cc(Br)cn1C ZINC000151557060 378336323 /nfs/dbraw/zinc/33/63/23/378336323.db2.gz FABJYGFVSFMWKR-UHFFFAOYSA-N 0 1 257.175 2.796 20 30 CFEDMN N#CC1CCN(CCc2ccc(F)c(F)c2)CC1 ZINC000151995861 378381574 /nfs/dbraw/zinc/38/15/74/378381574.db2.gz FRZHYZMMEIYKRG-UHFFFAOYSA-N 0 1 250.292 2.743 20 30 CFEDMN CC1(CNC(=O)[C@@H]2CCc3[nH]nnc3C2)CCCCC1 ZINC000328950458 378443025 /nfs/dbraw/zinc/44/30/25/378443025.db2.gz HNCZSOZISNELBN-LLVKDONJSA-N 0 1 276.384 2.837 20 30 CFEDMN CC1(CNC(=O)[C@@H]2CCc3nn[nH]c3C2)CCCCC1 ZINC000328950458 378443032 /nfs/dbraw/zinc/44/30/32/378443032.db2.gz HNCZSOZISNELBN-LLVKDONJSA-N 0 1 276.384 2.837 20 30 CFEDMN CC(C)c1nc([C@@H](C)NC(=O)C2CCC(=O)CC2)n[nH]1 ZINC000328936444 378443058 /nfs/dbraw/zinc/44/30/58/378443058.db2.gz QVAZEXRKDDVEEP-SECBINFHSA-N 0 1 278.356 2.705 20 30 CFEDMN Cc1nc([C@H](C)NC(=O)N[C@@H]2CC[C@@H]3CCC[C@H]3C2)n[nH]1 ZINC000329568823 378463358 /nfs/dbraw/zinc/46/33/58/378463358.db2.gz UEGDWKCVMWDMRM-XYJRDEOASA-N 0 1 291.399 2.647 20 30 CFEDMN CC(C)C[C@@H]1CCN(C(=O)N[C@H]2CCc3nc[nH]c3C2)C1 ZINC000329636618 378473874 /nfs/dbraw/zinc/47/38/74/378473874.db2.gz YGZNYNCNJIZZAH-STQMWFEESA-N 0 1 290.411 2.549 20 30 CFEDMN C[C@@H](NC(=O)c1coc(C2CCCC2)n1)c1nnc[nH]1 ZINC000328743547 378421084 /nfs/dbraw/zinc/42/10/84/378421084.db2.gz KAGBZFRANRIXJX-MRVPVSSYSA-N 0 1 275.312 2.516 20 30 CFEDMN C[C@@H]1CCCC[N@H+]1CCNC(=O)C[C@H]1CCCCNC1=O ZINC000328774285 378424317 /nfs/dbraw/zinc/42/43/17/378424317.db2.gz BUTOKUMVOIIAQC-ZIAGYGMSSA-N 0 1 295.427 2.964 20 30 CFEDMN Cc1nc(N[C@H]2CCc3[nH]cnc3C2)c(Cl)cc1C#N ZINC000329742436 378491498 /nfs/dbraw/zinc/49/14/98/378491498.db2.gz PLRVHVMRJNCDFN-JTQLQIEISA-N 0 1 287.754 2.608 20 30 CFEDMN CN1CCC[C@H]1C(=O)NCc1nc2ccccc2n1C1CC1 ZINC000329779199 378495289 /nfs/dbraw/zinc/49/52/89/378495289.db2.gz LSMPEGTVGHAJNV-HNNXBMFYSA-N 0 1 298.390 2.922 20 30 CFEDMN CO[C@@H]1C[C@H](NC(=O)[C@H]2CCCc3[nH]ncc32)C1(C)C ZINC000329856879 378505848 /nfs/dbraw/zinc/50/58/48/378505848.db2.gz YQDGEEMPCZNHFO-TVYUQYBPSA-N 0 1 277.368 2.600 20 30 CFEDMN CC1(C)C(CNC(=O)N[C@H]2CCCc3cn[nH]c32)C1(C)C ZINC000329943994 378515289 /nfs/dbraw/zinc/51/52/89/378515289.db2.gz DWMXFCHUZXOZEZ-NSHDSACASA-N 0 1 290.411 2.973 20 30 CFEDMN CN(CC(=O)NC1CCCCCC1)C1(CO)CCC1 ZINC000330264495 378530995 /nfs/dbraw/zinc/53/09/95/378530995.db2.gz YAECDEKMGAJEIM-UHFFFAOYSA-N 0 1 268.401 2.513 20 30 CFEDMN C=C(C)CNC(=O)NC[C@@H](c1ccc(C)o1)N1CCCC1 ZINC000156602377 378641883 /nfs/dbraw/zinc/64/18/83/378641883.db2.gz PCCIYFSVQWGDFJ-AWEZNQCLSA-N 0 1 291.395 2.600 20 30 CFEDMN CC(C)C(=O)N[C@H]1CCCN([C@@H](C)c2cccc(C#N)c2)C1 ZINC000331285045 378663421 /nfs/dbraw/zinc/66/34/21/378663421.db2.gz XNWYRHPPJGMMDC-YOEHRIQHSA-N 0 1 299.418 2.856 20 30 CFEDMN C=CCN(C[C@@H]1CC(C)=C[C@H](C)C1)[C@@H]1CCS(=O)(=O)C1 ZINC000278489084 194008397 /nfs/dbraw/zinc/00/83/97/194008397.db2.gz BHLLRFVPMAYVBX-CWRNSKLLSA-N 0 1 297.464 2.654 20 30 CFEDMN Cc1cc(C#N)cc(NC(=O)N2CCN(C3CCC3)CC2)c1 ZINC000333701327 378848080 /nfs/dbraw/zinc/84/80/80/378848080.db2.gz RMUHVPWXPKSJTI-UHFFFAOYSA-N 0 1 298.390 2.569 20 30 CFEDMN N#C[C@@H]1CC[C@H](N2CC[C@@]3(C2)CC(=O)c2ccccc2O3)C1 ZINC000334027247 378889561 /nfs/dbraw/zinc/88/95/61/378889561.db2.gz HZSDARKPNMMPPO-GLJUWKHASA-N 0 1 296.370 2.789 20 30 CFEDMN Cc1cccc2c1[nH]cc(C(=O)N(C)[C@H](C)CC#N)c2=O ZINC000164597858 379019446 /nfs/dbraw/zinc/01/94/46/379019446.db2.gz GJTLUFSOGCLMAB-LLVKDONJSA-N 0 1 283.331 2.623 20 30 CFEDMN COc1cccc2c1CCN([C@@H]1CC[C@H](C#N)C1)C2 ZINC000334372638 379180258 /nfs/dbraw/zinc/18/02/58/379180258.db2.gz RUPICXPFVSBEER-GXTWGEPZSA-N 0 1 256.349 2.746 20 30 CFEDMN C[C@@H]1CCN(Cc2cccc(C#N)c2F)C[C@@H]1n1ccnc1 ZINC000334387244 379208801 /nfs/dbraw/zinc/20/88/01/379208801.db2.gz PFCROJGXSTZOFX-CJNGLKHVSA-N 0 1 298.365 2.977 20 30 CFEDMN C[C@H]1Oc2cc(F)ccc2[C@H]1NCc1cc(C#N)n(C)c1 ZINC000334432537 379288235 /nfs/dbraw/zinc/28/82/35/379288235.db2.gz WXOXGZXCNJJYPT-HWPZZCPQSA-N 0 1 285.322 2.648 20 30 CFEDMN Cn1cc(-c2ccc(CN3CCC(C#N)CC3)s2)cn1 ZINC000335411877 379245659 /nfs/dbraw/zinc/24/56/59/379245659.db2.gz UDBXBTWQKKLPME-UHFFFAOYSA-N 0 1 286.404 2.884 20 30 CFEDMN N#Cc1cc(NS(=O)(=O)c2ccsc2)ccc1F ZINC000334444395 379310974 /nfs/dbraw/zinc/31/09/74/379310974.db2.gz GOIIPAVSBBMJRS-UHFFFAOYSA-N 0 1 282.321 2.560 20 30 CFEDMN Cn1cncc1-c1cc(/C=N/O)cc(C(F)(F)F)c1 ZINC001243069990 781969886 /nfs/dbraw/zinc/96/98/86/781969886.db2.gz DHYXMBDQOHHCHT-YAXRCOADSA-N 0 1 269.226 2.914 20 30 CFEDMN CC(C)n1cc(C#N)c(=NC(=O)[C@H]2CCCC[C@@H]2C)[nH]1 ZINC000335605433 379591578 /nfs/dbraw/zinc/59/15/78/379591578.db2.gz RFXKXXFNYBVWKA-AAEUAGOBSA-N 0 1 274.368 2.522 20 30 CFEDMN COCCCOC1CCN(Cc2ccccc2C#N)CC1 ZINC000172840602 379656332 /nfs/dbraw/zinc/65/63/32/379656332.db2.gz TUYRIANFMLWMBI-UHFFFAOYSA-N 0 1 288.391 2.576 20 30 CFEDMN N#Cc1cccc(CN2CCC[C@]3(CCOC3)C2)c1F ZINC000334689780 379770738 /nfs/dbraw/zinc/77/07/38/379770738.db2.gz OIHZVIGQSGTJNE-INIZCTEOSA-N 0 1 274.339 2.700 20 30 CFEDMN N#Cc1ccc(CN2CCC[C@@H](n3cccn3)C2)cc1F ZINC000335752294 379831242 /nfs/dbraw/zinc/83/12/42/379831242.db2.gz GNEZIDBNSANHKN-OAHLLOKOSA-N 0 1 284.338 2.731 20 30 CFEDMN Cc1ccc(C#N)cc1NC(=O)CN1[C@@H](C)CC[C@@H]1C ZINC000335760720 379845893 /nfs/dbraw/zinc/84/58/93/379845893.db2.gz FBPONVQJZLMLHL-STQMWFEESA-N 0 1 271.364 2.678 20 30 CFEDMN C[C@@H]1CCC[N@H+](C(C)(C)CNCc2ccc(C#N)o2)C1 ZINC000174299427 379859986 /nfs/dbraw/zinc/85/99/86/379859986.db2.gz BFJHZEDOWRDMEW-CYBMUJFWSA-N 0 1 275.396 2.751 20 30 CFEDMN C[C@@H](c1ccc(C#N)cc1)N1CCCc2c(cnn2C)C1 ZINC000335184932 379991295 /nfs/dbraw/zinc/99/12/95/379991295.db2.gz PZVBFMNQWKRFDW-ZDUSSCGKSA-N 0 1 280.375 2.801 20 30 CFEDMN CCN(Cc1ccccc1)Cc1ccc(C#N)cn1 ZINC000571951876 383741904 /nfs/dbraw/zinc/74/19/04/383741904.db2.gz VUSWIQJHPGLFFT-UHFFFAOYSA-N 0 1 251.333 2.975 20 30 CFEDMN N#Cc1cccc(C[N@H+]2C[C@@H](O)C[C@H]2c2ccccc2)c1 ZINC000335247071 380076073 /nfs/dbraw/zinc/07/60/73/380076073.db2.gz CSOCKKKLEDJAKG-ROUUACIJSA-N 0 1 278.355 2.866 20 30 CFEDMN N#C[C@@H]1CC[C@H](NCc2cn3cc(Cl)ccc3n2)C1 ZINC000336053253 380259162 /nfs/dbraw/zinc/25/91/62/380259162.db2.gz QSWWTZRWHJJPAO-PWSUYJOCSA-N 0 1 274.755 2.770 20 30 CFEDMN CCOC1CCN(Cc2ccc(F)c(C#N)c2)CC1 ZINC000176821044 380276200 /nfs/dbraw/zinc/27/62/00/380276200.db2.gz QCKVNQIWWKFYNW-UHFFFAOYSA-N 0 1 262.328 2.698 20 30 CFEDMN N#CC1(C[N@H+]2CC[C@@H](n3ncc4ccccc43)C2)CCC1 ZINC000336269778 380303638 /nfs/dbraw/zinc/30/36/38/380303638.db2.gz KNIWJUOVICMKLM-OAHLLOKOSA-N 0 1 280.375 2.977 20 30 CFEDMN N#CC1(CN2CC[C@@H](n3ncc4ccccc43)C2)CCC1 ZINC000336269778 380303644 /nfs/dbraw/zinc/30/36/44/380303644.db2.gz KNIWJUOVICMKLM-OAHLLOKOSA-N 0 1 280.375 2.977 20 30 CFEDMN C[C@]1(O)CCN(Cc2ccc(C#N)cc2C(F)(F)F)C1 ZINC000336492017 380360482 /nfs/dbraw/zinc/36/04/82/380360482.db2.gz URBPPHPOWZNXIZ-ZDUSSCGKSA-N 0 1 284.281 2.534 20 30 CFEDMN C[C@@H](C(=O)N[C@H]1CCCc2cn[nH]c21)c1cccc(C#N)c1 ZINC000336564951 380474866 /nfs/dbraw/zinc/47/48/66/380474866.db2.gz MVBVFKPXQVPULT-ABAIWWIYSA-N 0 1 294.358 2.579 20 30 CFEDMN C#CCCN1CCN(CCSCc2ccccc2)CC1 ZINC000279120033 194292539 /nfs/dbraw/zinc/29/25/39/194292539.db2.gz UIOAMDRXSYRKNR-UHFFFAOYSA-N 0 1 288.460 2.561 20 30 CFEDMN C=C[C@H]1CCCCN1C(=O)c1cc(C(F)F)[nH]n1 ZINC000640231857 383749198 /nfs/dbraw/zinc/74/91/98/383749198.db2.gz KZUSLXBHTDNYBV-QMMMGPOBSA-N 0 1 255.268 2.528 20 30 CFEDMN N#Cc1csc(CNCc2ccnc(OC(F)F)c2)c1 ZINC000341260138 380875886 /nfs/dbraw/zinc/87/58/86/380875886.db2.gz RFBGDEQVTKRUIF-UHFFFAOYSA-N 0 1 295.314 2.906 20 30 CFEDMN C[C@@H](N[C@@H]1c2ccccc2C[C@@H]1O)c1ccc(C#N)s1 ZINC000181567594 380829409 /nfs/dbraw/zinc/82/94/09/380829409.db2.gz OIZGBPYCVZGXNX-FUEDEBDSSA-N 0 1 284.384 2.929 20 30 CFEDMN C=CCNC(=O)CN[C@H](c1ccc(F)cc1F)C(C)(C)C ZINC000181620338 380843259 /nfs/dbraw/zinc/84/32/59/380843259.db2.gz ZBYBLICCZJWLRF-OAHLLOKOSA-N 0 1 296.361 2.944 20 30 CFEDMN COc1cc(C#N)ccc1CN[C@@H](C)c1cccnc1 ZINC000181662466 380858203 /nfs/dbraw/zinc/85/82/03/380858203.db2.gz FHFNROOEHLJQNV-LBPRGKRZSA-N 0 1 267.332 2.813 20 30 CFEDMN Cn1ccc(CN[C@@H](CCCC#N)c2ccccc2)n1 ZINC000353912732 380950458 /nfs/dbraw/zinc/95/04/58/380950458.db2.gz FZNNSRYGMQCJAE-INIZCTEOSA-N 0 1 268.364 2.945 20 30 CFEDMN C=CCCCNC(=O)N[C@H](C)c1n[nH]c([C@@H](C)CC)n1 ZINC000279280253 194366530 /nfs/dbraw/zinc/36/65/30/194366530.db2.gz LJWBBBSUFVVGJK-WDEREUQCSA-N 0 1 279.388 2.645 20 30 CFEDMN C[C@@H]1CN(C(=O)C[C@@H](CC#N)c2ccccc2)C[C@H](C)N1C ZINC000358681501 381012141 /nfs/dbraw/zinc/01/21/41/381012141.db2.gz IFAVOFMINDZSBW-HLLBOEOZSA-N 0 1 299.418 2.625 20 30 CFEDMN C[C@H](CCC#N)N1CCCN(C(=O)CC2CCCC2)CC1 ZINC000411166908 381012913 /nfs/dbraw/zinc/01/29/13/381012913.db2.gz VSCQUZUIIRXKMB-OAHLLOKOSA-N 0 1 291.439 2.793 20 30 CFEDMN C=CC1CCN([C@H]2CCN(c3ccc(F)cc3)C2=O)CC1 ZINC000411254819 381021161 /nfs/dbraw/zinc/02/11/61/381021161.db2.gz OJDUUGQZWHSLDY-INIZCTEOSA-N 0 1 288.366 2.829 20 30 CFEDMN N#CC1(CCN2CCC[C@@H]2C(=O)NC2CC2)CCCCC1 ZINC000411264874 381021184 /nfs/dbraw/zinc/02/11/84/381021184.db2.gz HYABRONILPPBPS-OAHLLOKOSA-N 0 1 289.423 2.594 20 30 CFEDMN C[C@@H]1CCN(CC(=O)Nc2ccc(C#N)cc2)CC1(C)C ZINC000354025055 381027284 /nfs/dbraw/zinc/02/72/84/381027284.db2.gz YDWNMQCMHCULDH-CYBMUJFWSA-N 0 1 285.391 2.865 20 30 CFEDMN C=C[C@H](CO)N[C@@H](C)c1sc(C(C)C)nc1C ZINC000289627768 381075062 /nfs/dbraw/zinc/07/50/62/381075062.db2.gz FAHNCYUYZVMCAF-GXSJLCMTSA-N 0 1 254.399 2.772 20 30 CFEDMN CO[C@@](C)([C@@H](C)NCc1ccc(F)cc1C#N)C1CC1 ZINC000411947542 381065086 /nfs/dbraw/zinc/06/50/86/381065086.db2.gz MJDSHZRBAHSIQW-BZNIZROVSA-N 0 1 276.355 2.991 20 30 CFEDMN C=C[C@H](CO)N[C@@H](C)c1cc(Cl)ccc1OC ZINC000289630057 381076645 /nfs/dbraw/zinc/07/66/45/381076645.db2.gz FCKUONDZZZIDEC-GXSJLCMTSA-N 0 1 255.745 2.546 20 30 CFEDMN C[C@@H]1C[C@H](C)CN1CC(=O)N(CCC#N)c1ccccc1 ZINC000354204557 381140170 /nfs/dbraw/zinc/14/01/70/381140170.db2.gz FOUCSPVUYLMDOZ-LSDHHAIUSA-N 0 1 285.391 2.664 20 30 CFEDMN C=CCN(CC=C)C(=O)[C@@H](C)N1CCC(F)(F)[C@H](C)C1 ZINC000289788369 381157903 /nfs/dbraw/zinc/15/79/03/381157903.db2.gz MDLMDKWOVHOGPP-CHWSQXEVSA-N 0 1 286.366 2.553 20 30 CFEDMN C=CCN(CC=C)C(=O)[C@H](C)N1CCC(F)(F)[C@H](C)C1 ZINC000289788373 381157955 /nfs/dbraw/zinc/15/79/55/381157955.db2.gz MDLMDKWOVHOGPP-OLZOCXBDSA-N 0 1 286.366 2.553 20 30 CFEDMN C=CCC[C@H](O)CN1[C@H](c2ccccc2)COC[C@@H]1C ZINC000347495928 381186850 /nfs/dbraw/zinc/18/68/50/381186850.db2.gz YFZATXHBVSSNOY-XIRDDKMYSA-N 0 1 275.392 2.776 20 30 CFEDMN N#Cc1ccccc1CN1CCC(n2cccn2)CC1 ZINC000369120472 381197510 /nfs/dbraw/zinc/19/75/10/381197510.db2.gz UGJWTIUFTDKILN-UHFFFAOYSA-N 0 1 266.348 2.592 20 30 CFEDMN C[C@H]1CN(Cc2ccccc2)CCN1c1cc(C#N)ccn1 ZINC000342202488 381219768 /nfs/dbraw/zinc/21/97/68/381219768.db2.gz JYZBOKNAFOEYGH-HNNXBMFYSA-N 0 1 292.386 2.664 20 30 CFEDMN N#Cc1ccc(F)c(CNc2ncnc3ccsc32)c1 ZINC000342261396 381234661 /nfs/dbraw/zinc/23/46/61/381234661.db2.gz BQWYQHNKZZJDLN-UHFFFAOYSA-N 0 1 284.319 2.736 20 30 CFEDMN N#CC(C(=O)c1coc2ccccc12)c1ccncn1 ZINC000354468302 381289500 /nfs/dbraw/zinc/28/95/00/381289500.db2.gz LSRUHPQCQLBPPO-NSHDSACASA-N 0 1 263.256 2.713 20 30 CFEDMN N#C[C@H](C(=O)c1coc2ccccc12)c1ccncn1 ZINC000354468302 381289508 /nfs/dbraw/zinc/28/95/08/381289508.db2.gz LSRUHPQCQLBPPO-NSHDSACASA-N 0 1 263.256 2.713 20 30 CFEDMN CC#CCCN1CCOC[C@H]1Cc1c[nH]c2ccccc12 ZINC000369706968 381316686 /nfs/dbraw/zinc/31/66/86/381316686.db2.gz OMWMJHFHVUHTRZ-MRXNPFEDSA-N 0 1 282.387 2.825 20 30 CFEDMN CC[C@@H](c1ccncc1)N(C)Cc1cc(C#N)n(C)c1 ZINC000290385662 381407554 /nfs/dbraw/zinc/40/75/54/381407554.db2.gz IKTZRBDUCYZNCG-INIZCTEOSA-N 0 1 268.364 2.875 20 30 CFEDMN CN(Cc1ncc(-c2ccc(C#N)cc2)o1)C[C@H]1CCOC1 ZINC000370167909 381396660 /nfs/dbraw/zinc/39/66/60/381396660.db2.gz WLWSFYHMVASERG-CQSZACIVSA-N 0 1 297.358 2.682 20 30 CFEDMN C[C@@H]1CC[C@@]2(CCN([C@H](C(N)=O)c3ccc(C#N)cc3)C2)C1 ZINC000359564198 381474013 /nfs/dbraw/zinc/47/40/13/381474013.db2.gz TYPQLJJOBOZAJH-RPVQJOFSSA-N 0 1 297.402 2.597 20 30 CFEDMN CC(C)[C@@](C)(C#N)NC(=O)CN1CC[C@@]2(CC[C@@H](C)C2)C1 ZINC000359556540 381467560 /nfs/dbraw/zinc/46/75/60/381467560.db2.gz MDDNSRSBOFWOJS-DJIMGWMZSA-N 0 1 291.439 2.553 20 30 CFEDMN C=CCCN(C)CC(=O)N[C@@H](C)c1ccc(F)cc1 ZINC000342730322 381505797 /nfs/dbraw/zinc/50/57/97/381505797.db2.gz JOTODPZOCZJJAP-LBPRGKRZSA-N 0 1 264.344 2.511 20 30 CFEDMN Cc1nc([C@@H]2CCCCN2Cc2ccc(F)cc2C#N)n[nH]1 ZINC000370944254 381518934 /nfs/dbraw/zinc/51/89/34/381518934.db2.gz GXUZLESJZAKHBL-HNNXBMFYSA-N 0 1 299.353 2.851 20 30 CFEDMN C[C@H](NCc1cnc2ccc(C#N)cn12)c1cccc(O)c1 ZINC000342725558 381501623 /nfs/dbraw/zinc/50/16/23/381501623.db2.gz HVHLBNGSXRXVGQ-LBPRGKRZSA-N 0 1 292.342 2.762 20 30 CFEDMN COc1ccc2c(c1)[C@H](NCc1cc(C#N)n(C)c1)CCO2 ZINC000359665483 381543028 /nfs/dbraw/zinc/54/30/28/381543028.db2.gz SZYCZYJTZHOBQZ-MRXNPFEDSA-N 0 1 297.358 2.519 20 30 CFEDMN COCCN(Cc1ccco1)Cc1ccc(CC#N)cc1 ZINC000342764129 381522875 /nfs/dbraw/zinc/52/28/75/381522875.db2.gz GAYKATLHLBOOSS-UHFFFAOYSA-N 0 1 284.359 2.994 20 30 CFEDMN CCc1nc([C@H](C)Nc2cccc(F)c2C#N)n[nH]1 ZINC000342774017 381531150 /nfs/dbraw/zinc/53/11/50/381531150.db2.gz HBAOJOSCNZKPHF-QMMMGPOBSA-N 0 1 259.288 2.551 20 30 CFEDMN CCOC(=O)Nc1ccc(NCc2[nH]ncc2C)cc1C#N ZINC000290879488 381584348 /nfs/dbraw/zinc/58/43/48/381584348.db2.gz LZACIFGJAMRISY-UHFFFAOYSA-N 0 1 299.334 2.770 20 30 CFEDMN C=CCOc1ccc(CN2CCCO[C@@H](CF)C2)cc1 ZINC000414481179 381587257 /nfs/dbraw/zinc/58/72/57/381587257.db2.gz VNCAWHOPHPVZKE-INIZCTEOSA-N 0 1 279.355 2.812 20 30 CFEDMN CCN(CCC1CC1)CC(=O)Nc1cccc(C#N)c1 ZINC000355063855 381590730 /nfs/dbraw/zinc/59/07/30/381590730.db2.gz KYFPKNABJLNDRC-UHFFFAOYSA-N 0 1 271.364 2.619 20 30 CFEDMN C=CCN1CCC(Nc2nc(CC(C)C)ns2)CC1 ZINC000185381930 381619570 /nfs/dbraw/zinc/61/95/70/381619570.db2.gz CYIRFTIQMTYBJQ-UHFFFAOYSA-N 0 1 280.441 2.799 20 30 CFEDMN CC[C@@H]1CN(CC(C)(C)CCC#N)C[C@@H](C)[S@@]1=O ZINC000348544961 381624757 /nfs/dbraw/zinc/62/47/57/381624757.db2.gz JWPRPLDWRIMBIL-VFVRVIDISA-N 0 1 270.442 2.548 20 30 CFEDMN CCN1CCN(c2ccc(C(F)(F)F)c(C#N)n2)[C@H](C)C1 ZINC000343276227 381672382 /nfs/dbraw/zinc/67/23/82/381672382.db2.gz UXDACCIRSCBKNG-SNVBAGLBSA-N 0 1 298.312 2.502 20 30 CFEDMN CN(C)[C@@H](CNc1nc2c(cc1C#N)CCC2)c1ccco1 ZINC000298730032 381728760 /nfs/dbraw/zinc/72/87/60/381728760.db2.gz OFJWNALRKXDHBJ-HNNXBMFYSA-N 0 1 296.374 2.750 20 30 CFEDMN CC(C)N(Cc1ccc(Cl)cc1C#N)C[C@@H](C)O ZINC000360063333 381758662 /nfs/dbraw/zinc/75/86/62/381758662.db2.gz KWJUGQAKBNJUDK-LLVKDONJSA-N 0 1 266.772 2.803 20 30 CFEDMN Cc1n[nH]c(C2CCN(Cc3cc(F)ccc3C#N)CC2)n1 ZINC000371948103 381725368 /nfs/dbraw/zinc/72/53/68/381725368.db2.gz NLIGNGDBJMWRJY-UHFFFAOYSA-N 0 1 299.353 2.504 20 30 CFEDMN C=C(CNC(=O)c1cnccc1N(C)C)c1ccccc1 ZINC000360207151 381770494 /nfs/dbraw/zinc/77/04/94/381770494.db2.gz FMZZRTPSYDPJPG-UHFFFAOYSA-N 0 1 281.359 2.591 20 30 CFEDMN C=C(C)C[N@@H+](CCN1CCCOCC1)Cc1ccccc1 ZINC000361388474 381825604 /nfs/dbraw/zinc/82/56/04/381825604.db2.gz FQLLAPWTEDTZDP-UHFFFAOYSA-N 0 1 288.435 2.787 20 30 CFEDMN CC(C)N(Cc1cccc(C#N)c1F)[C@H]1CCOC1 ZINC000361409260 381828209 /nfs/dbraw/zinc/82/82/09/381828209.db2.gz ULYOQFOHLKEJMJ-AWEZNQCLSA-N 0 1 262.328 2.697 20 30 CFEDMN CN(CC#Cc1ccccc1)[C@H](CC(N)=O)c1ccccc1 ZINC000361470515 381833736 /nfs/dbraw/zinc/83/37/36/381833736.db2.gz UBGQJDJEGJUBQB-GOSISDBHSA-N 0 1 292.382 2.587 20 30 CFEDMN CCN(C)c1ccc(CN2CCC(C)(C#N)CC2)cn1 ZINC000361588593 381846572 /nfs/dbraw/zinc/84/65/72/381846572.db2.gz SEPJQALXMWTITM-UHFFFAOYSA-N 0 1 272.396 2.663 20 30 CFEDMN C=CCC(C)(C)C(=O)NCCN(C)Cc1ccc(F)cc1 ZINC000292844112 381861948 /nfs/dbraw/zinc/86/19/48/381861948.db2.gz PXWUIZXXWJOPHX-UHFFFAOYSA-N 0 1 292.398 2.976 20 30 CFEDMN CC(C)(C#N)c1ccc(C(=O)[C@@H](C#N)c2ccncn2)cc1 ZINC000361792205 381863111 /nfs/dbraw/zinc/86/31/11/381863111.db2.gz KPXJCKKGHKDRFB-AWEZNQCLSA-N 0 1 290.326 2.768 20 30 CFEDMN CC(C)(C#N)c1ccc(C(=O)C(C#N)c2ccncn2)cc1 ZINC000361792205 381863115 /nfs/dbraw/zinc/86/31/15/381863115.db2.gz KPXJCKKGHKDRFB-AWEZNQCLSA-N 0 1 290.326 2.768 20 30 CFEDMN C=CC[N@H+](CC)Cc1cn(C)nc1-c1ccc(C#N)cc1 ZINC000361776904 381863882 /nfs/dbraw/zinc/86/38/82/381863882.db2.gz XYMKQFAGTUKBRP-UHFFFAOYSA-N 0 1 280.375 2.967 20 30 CFEDMN Cc1c([C@@H]2CCC[N@H+]2CC#Cc2ccccc2)cnn1C ZINC000372813368 381873510 /nfs/dbraw/zinc/87/35/10/381873510.db2.gz FLOSEPYBPRFFEO-SFHVURJKSA-N 0 1 279.387 2.917 20 30 CFEDMN Cc1c([C@@H]2CCCN2CC#Cc2ccccc2)cnn1C ZINC000372813368 381873515 /nfs/dbraw/zinc/87/35/15/381873515.db2.gz FLOSEPYBPRFFEO-SFHVURJKSA-N 0 1 279.387 2.917 20 30 CFEDMN C=CCCCCCN(C)C(=O)CN(CC)C1CC1 ZINC000343717348 381905678 /nfs/dbraw/zinc/90/56/78/381905678.db2.gz QJEARDZNSQXWPL-UHFFFAOYSA-N 0 1 252.402 2.676 20 30 CFEDMN N#Cc1ccnc(N2CCN([C@H]3C=CCCCCC3)CC2)c1 ZINC000292947854 381916519 /nfs/dbraw/zinc/91/65/19/381916519.db2.gz BJUWLNLPNKVDCT-KRWDZBQOSA-N 0 1 296.418 2.964 20 30 CFEDMN N#CCc1ccc(CN2CCC(O)(C(F)(F)F)CC2)cc1 ZINC000343759368 381927898 /nfs/dbraw/zinc/92/78/98/381927898.db2.gz IBKCARANSVODMP-UHFFFAOYSA-N 0 1 298.308 2.642 20 30 CFEDMN N#CCCN(C(=O)CN1CCCC12CCC2)c1ccccc1 ZINC000373104451 381928331 /nfs/dbraw/zinc/92/83/31/381928331.db2.gz ORRQZSQVMZAUCU-UHFFFAOYSA-N 0 1 297.402 2.952 20 30 CFEDMN N#CC(CCc1ccccc1)C(=O)NCC1(C#N)CCC1 ZINC000416346960 381888909 /nfs/dbraw/zinc/88/89/09/381888909.db2.gz NMIWZDRJLKCBSV-HNNXBMFYSA-N 0 1 281.359 2.569 20 30 CFEDMN CC(C)[C@@H]1CN(Cc2ccc(C#N)cc2F)CCCO1 ZINC000293079889 381980294 /nfs/dbraw/zinc/98/02/94/381980294.db2.gz JQHRFDFMMUXLBU-INIZCTEOSA-N 0 1 276.355 2.944 20 30 CFEDMN CC(C)(C)c1[nH]ncc1C(=O)Nc1ccc(F)c(C#N)c1 ZINC000293100549 381991549 /nfs/dbraw/zinc/99/15/49/381991549.db2.gz RXQRWSCWGCBTRC-UHFFFAOYSA-N 0 1 286.310 2.970 20 30 CFEDMN N#Cc1ccc(CN2CC[C@H](n3cnc4c3CCCC4)C2)o1 ZINC000299740835 382042182 /nfs/dbraw/zinc/04/21/82/382042182.db2.gz BZSJURVNZVOCJA-ZDUSSCGKSA-N 0 1 296.374 2.674 20 30 CFEDMN C=CC[C@@H](CO)NCc1csc(-c2ccccc2)n1 ZINC000351591731 382046995 /nfs/dbraw/zinc/04/69/95/382046995.db2.gz GSWYCOGIHYRIQH-ZDUSSCGKSA-N 0 1 274.389 2.837 20 30 CFEDMN O[C@H]1CCCN(CC#Cc2ccc(Cl)cc2)CC1 ZINC000293274751 382058776 /nfs/dbraw/zinc/05/87/76/382058776.db2.gz VEFJYYPZFMDTCW-HNNXBMFYSA-N 0 1 263.768 2.538 20 30 CFEDMN C=C(C)CCN1CCN([C@@H](C)C(F)(F)F)CC1 ZINC000351870997 382067269 /nfs/dbraw/zinc/06/72/69/382067269.db2.gz QAWMTSWSRRLOBJ-NSHDSACASA-N 0 1 250.308 2.521 20 30 CFEDMN CC#CCCCC(=O)NCC1(C)CN(Cc2ccccc2)C1 ZINC000373589120 382020751 /nfs/dbraw/zinc/02/07/51/382020751.db2.gz RVHBZBHMRLNQGE-UHFFFAOYSA-N 0 1 298.430 2.818 20 30 CFEDMN Cc1cc(-c2noc([C@]3(C#N)C[C@@H]3C)n2)cc2nc[nH]c21 ZINC000351083517 382026039 /nfs/dbraw/zinc/02/60/39/382026039.db2.gz NXFYHHXILCKKNE-VFZGTOFNSA-N 0 1 279.303 2.723 20 30 CFEDMN Cc1cc(-c2noc([C@@]3(C#N)C[C@H]3C)n2)cc2nc[nH]c21 ZINC000351083515 382026293 /nfs/dbraw/zinc/02/62/93/382026293.db2.gz NXFYHHXILCKKNE-RFAUZJTJSA-N 0 1 279.303 2.723 20 30 CFEDMN C[C@@H]1CN(c2nc(C(F)(F)F)ccc2C#N)[C@@H](C)CN1C ZINC000351505383 382040451 /nfs/dbraw/zinc/04/04/51/382040451.db2.gz MTMWEWUCLPMMCM-ZJUUUORDSA-N 0 1 298.312 2.501 20 30 CFEDMN Cc1cnn(C2CCN(CC#Cc3ccccc3)CC2)c1 ZINC000375972169 382113199 /nfs/dbraw/zinc/11/31/99/382113199.db2.gz DICIYIUXANVTNI-UHFFFAOYSA-N 0 1 279.387 2.880 20 30 CFEDMN CCN1CCC[C@H]1CNc1snc(Cl)c1C#N ZINC000301086882 382077805 /nfs/dbraw/zinc/07/78/05/382077805.db2.gz KMCFEKROYQIAIZ-QMMMGPOBSA-N 0 1 270.789 2.564 20 30 CFEDMN C=CCNC(=O)[C@@H](C)N1Cc2ccccc2C2(CCC2)C1 ZINC000375692796 382096602 /nfs/dbraw/zinc/09/66/02/382096602.db2.gz YUCOYQHTMZQKFP-CQSZACIVSA-N 0 1 284.403 2.615 20 30 CFEDMN Cc1[nH]c(SC[C@@H](O)CC#N)nc1Cc1ccccc1 ZINC000352160505 382201159 /nfs/dbraw/zinc/20/11/59/382201159.db2.gz LWYJCCUWJOWYLU-ZDUSSCGKSA-N 0 1 287.388 2.676 20 30 CFEDMN N#Cc1ccc(CN[C@H]2c3ccccc3CC[C@@H]2CO)o1 ZINC000377024896 382203986 /nfs/dbraw/zinc/20/39/86/382203986.db2.gz LQVYZQHOZZSUJP-CXAGYDPISA-N 0 1 282.343 2.537 20 30 CFEDMN C#CCOCCNc1cc(C)nc2ccc(F)cc21 ZINC000302162507 382211714 /nfs/dbraw/zinc/21/17/14/382211714.db2.gz OGNGKFBTJKMDAB-UHFFFAOYSA-N 0 1 258.296 2.744 20 30 CFEDMN CC[C@]1(CO)CCCN(Cc2ccc(C#N)cc2F)C1 ZINC000187628922 382230227 /nfs/dbraw/zinc/23/02/27/382230227.db2.gz AFINDLBNLZWVRI-INIZCTEOSA-N 0 1 276.355 2.682 20 30 CFEDMN CC[C@]1(CO)CCCN(Cc2ccc(F)c(C#N)c2)C1 ZINC000187636842 382231501 /nfs/dbraw/zinc/23/15/01/382231501.db2.gz XLIUOIDOIRXWKU-INIZCTEOSA-N 0 1 276.355 2.682 20 30 CFEDMN C#CCN1CCC(C(=O)N(C)Cc2cccc(C)c2C)CC1 ZINC000293694211 382236138 /nfs/dbraw/zinc/23/61/38/382236138.db2.gz QAHQZPSHTSHEJA-UHFFFAOYSA-N 0 1 298.430 2.607 20 30 CFEDMN COCCN(Cc1nc(C#N)cs1)[C@H]1CCC[C@H]1C ZINC000419308577 382278776 /nfs/dbraw/zinc/27/87/76/382278776.db2.gz PDQZGJYLSLMIML-YPMHNXCESA-N 0 1 279.409 2.652 20 30 CFEDMN CC#CCN1CCC[C@@H](NC(=O)CCCc2ccccc2)C1 ZINC000352352295 382285896 /nfs/dbraw/zinc/28/58/96/382285896.db2.gz GPBKFGPZXOOCGI-GOSISDBHSA-N 0 1 298.430 2.613 20 30 CFEDMN C=CC[N@H+](Cc1cccc([N+](=O)[O-])c1)C[C@@H]1CCOC1 ZINC000345133724 382286922 /nfs/dbraw/zinc/28/69/22/382286922.db2.gz KSWARGUDKVFKAP-AWEZNQCLSA-N 0 1 276.336 2.619 20 30 CFEDMN C=C(C)C[C@H](C)C(=O)N1CCC(c2cnc[nH]2)CC1 ZINC000363808163 382246613 /nfs/dbraw/zinc/24/66/13/382246613.db2.gz AGNXARSDTZPJEJ-LBPRGKRZSA-N 0 1 261.369 2.718 20 30 CFEDMN CC(C)(CO)[C@H](NCc1cccc(C#N)c1)c1cccnc1 ZINC000293740733 382259507 /nfs/dbraw/zinc/25/95/07/382259507.db2.gz VTNVXFWHQBLSPK-QGZVFWFLSA-N 0 1 295.386 2.803 20 30 CFEDMN C=C(CC)CN[C@H](C(N)=O)c1ccc(Br)cc1 ZINC000419269130 382264472 /nfs/dbraw/zinc/26/44/72/382264472.db2.gz NXYCMFIIJJXDPR-LBPRGKRZSA-N 0 1 297.196 2.531 20 30 CFEDMN CC[C@@H]1C[N@@H+](CCC(C)(C)C#N)CCN1CC(F)F ZINC000345956999 382325553 /nfs/dbraw/zinc/32/55/53/382325553.db2.gz VJDICPRDYNEINY-GFCCVEGCSA-N 0 1 273.371 2.588 20 30 CFEDMN CC[C@@H]1CN(CCC(C)(C)C#N)CCN1CC(F)F ZINC000345956999 382325557 /nfs/dbraw/zinc/32/55/57/382325557.db2.gz VJDICPRDYNEINY-GFCCVEGCSA-N 0 1 273.371 2.588 20 30 CFEDMN CC[C@H]1C[N@@H+](CCC(C)(C)C#N)CCN1CC(F)F ZINC000345957025 382325624 /nfs/dbraw/zinc/32/56/24/382325624.db2.gz VJDICPRDYNEINY-LBPRGKRZSA-N 0 1 273.371 2.588 20 30 CFEDMN CC[C@H]1CN(CCC(C)(C)C#N)CCN1CC(F)F ZINC000345957025 382325628 /nfs/dbraw/zinc/32/56/28/382325628.db2.gz VJDICPRDYNEINY-LBPRGKRZSA-N 0 1 273.371 2.588 20 30 CFEDMN Cc1cccc2nc([C@@H](C#N)C(=O)c3cscn3)[nH]c21 ZINC000345405136 382300823 /nfs/dbraw/zinc/30/08/23/382300823.db2.gz VWWAHJZPNBOAPC-VIFPVBQESA-N 0 1 282.328 2.818 20 30 CFEDMN N#Cc1ccc(C(=O)Nc2ccc3[nH]ccc3c2)cc1O ZINC000188252151 382378269 /nfs/dbraw/zinc/37/82/69/382378269.db2.gz ZTKBIDSPWBIUKU-UHFFFAOYSA-N 0 1 277.283 2.997 20 30 CFEDMN COc1cc(CN2CC[C@H](n3cc(C)cn3)C2)ccc1C#N ZINC000365611180 382421947 /nfs/dbraw/zinc/42/19/47/382421947.db2.gz TYJTXZZWXBLREI-INIZCTEOSA-N 0 1 296.374 2.519 20 30 CFEDMN COC[C@]1(C)CCN(Cc2cc(C#N)ccc2F)C1 ZINC000294151565 382436470 /nfs/dbraw/zinc/43/64/70/382436470.db2.gz HNIHNOLHVBHQOC-OAHLLOKOSA-N 0 1 262.328 2.556 20 30 CFEDMN N#Cc1ccc2ncc(CN3C[C@H]4CCCCC[C@@H]43)n2c1 ZINC000378344748 382441232 /nfs/dbraw/zinc/44/12/32/382441232.db2.gz CFWDWBQOMSDBPM-ZBFHGGJFSA-N 0 1 280.375 2.970 20 30 CFEDMN CC(C)(C#N)CCCC[N@H+]1CCOC[C@@H]1[C@@H]1CCCC1=O ZINC000365468646 382399234 /nfs/dbraw/zinc/39/92/34/382399234.db2.gz XZZWJZWHJLBCPE-LSDHHAIUSA-N 0 1 292.423 2.776 20 30 CFEDMN CC(C)(C#N)CCCCN1CCOC[C@@H]1[C@@H]1CCCC1=O ZINC000365468646 382399236 /nfs/dbraw/zinc/39/92/36/382399236.db2.gz XZZWJZWHJLBCPE-LSDHHAIUSA-N 0 1 292.423 2.776 20 30 CFEDMN C=C(C)CN(Cc1cnn(C(C)C)c1)C[C@H](C)OC ZINC000352902449 382481012 /nfs/dbraw/zinc/48/10/12/382481012.db2.gz NASABGVZMREIBS-AWEZNQCLSA-N 0 1 265.401 2.877 20 30 CFEDMN N#CCC1(CNCc2ccc(Br)o2)CC1 ZINC000308832932 382486886 /nfs/dbraw/zinc/48/68/86/382486886.db2.gz KBRZNHVWOHMTAW-UHFFFAOYSA-N 0 1 269.142 2.826 20 30 CFEDMN C#CCC[N@H+]1C[C@@H](c2ccc(Cl)cc2)[C@H](C(=O)OC)C1 ZINC000366478197 382515472 /nfs/dbraw/zinc/51/54/72/382515472.db2.gz DEBUHOIRXAURFU-LSDHHAIUSA-N 0 1 291.778 2.552 20 30 CFEDMN C=CCN1CC[C@@H]([N@@H+](C)C2CC(c3ccccc3)C2)C1=O ZINC000366898637 382554246 /nfs/dbraw/zinc/55/42/46/382554246.db2.gz XTJJBTFQIOQVRA-OFLPRAFFSA-N 0 1 284.403 2.651 20 30 CFEDMN CCCc1cnc(NC(=O)c2ccc(C#N)c(O)c2)s1 ZINC000189156079 382556714 /nfs/dbraw/zinc/55/67/14/382556714.db2.gz KWZRYCNPGJARPW-UHFFFAOYSA-N 0 1 287.344 2.925 20 30 CFEDMN CC1(C)CCC[C@H](NC([O-])=[NH+][C@H]2CCc3c[nH]nc3C2)C1 ZINC000328624646 382557118 /nfs/dbraw/zinc/55/71/18/382557118.db2.gz ZSCKIXZXQXDJTG-STQMWFEESA-N 0 1 290.411 2.739 20 30 CFEDMN CC1(C)CCC[C@H]([NH+]=C([O-])N[C@H]2CCc3c[nH]nc3C2)C1 ZINC000328624646 382557121 /nfs/dbraw/zinc/55/71/21/382557121.db2.gz ZSCKIXZXQXDJTG-STQMWFEESA-N 0 1 290.411 2.739 20 30 CFEDMN C[C@@H](O)C[C@H]1CCCCN1Cc1cn2ccccc2c1C#N ZINC000319286757 382534382 /nfs/dbraw/zinc/53/43/82/382534382.db2.gz HAQOMYZSIMSYHL-GDBMZVCRSA-N 0 1 297.402 2.936 20 30 CFEDMN CCOC(=O)CC(C)(C)CCN(C[C@H](C)C#N)C1CC1 ZINC000346961278 382587311 /nfs/dbraw/zinc/58/73/11/382587311.db2.gz FVRXABOESPQLRG-CYBMUJFWSA-N 0 1 280.412 2.980 20 30 CFEDMN Cn1cc(CNCc2ccc(Cl)s2)cc1C#N ZINC000189593330 382628338 /nfs/dbraw/zinc/62/83/38/382628338.db2.gz RDLUDHNJBQCNHX-UHFFFAOYSA-N 0 1 265.769 2.901 20 30 CFEDMN Cc1cncc(CN(C)Cc2ccc(C#N)cc2)c1 ZINC000189760666 382639948 /nfs/dbraw/zinc/63/99/48/382639948.db2.gz BMIHWFARNMGFRV-UHFFFAOYSA-N 0 1 251.333 2.894 20 30 CFEDMN CCC[C@H](C)NC(=O)[C@@H](C)N1CCC(CCC#N)CC1 ZINC000399294182 382637993 /nfs/dbraw/zinc/63/79/93/382637993.db2.gz JEMNSBNIJKESGN-UONOGXRCSA-N 0 1 279.428 2.695 20 30 CFEDMN Cn1cc(CN2CCS[C@H]3CCCC[C@@H]32)cc1C#N ZINC000191406841 382699914 /nfs/dbraw/zinc/69/99/14/382699914.db2.gz WQOSAAVGWGDCGF-GJZGRUSLSA-N 0 1 275.421 2.757 20 30 CFEDMN C=CCCCCCN1CCN(c2nccnc2C#N)C[C@H]1C ZINC000193387012 382719373 /nfs/dbraw/zinc/71/93/73/382719373.db2.gz RWLLDYZJDHUXOC-OAHLLOKOSA-N 0 1 299.422 2.605 20 30 CFEDMN C=CCN1CC[C@@H](N(C)[C@@H](C)c2ccc(C)cc2)C1=O ZINC000337125124 382764311 /nfs/dbraw/zinc/76/43/11/382764311.db2.gz DUXVTGDMLVGAFD-GOEBONIOSA-N 0 1 272.392 2.775 20 30 CFEDMN C=CCN1CC[C@@H]([N@H+]2CCC[C@@H]2CCc2ccccc2)C1=O ZINC000337136233 382766152 /nfs/dbraw/zinc/76/61/52/382766152.db2.gz NALLVBKZEGSGDW-QZTJIDSGSA-N 0 1 298.430 2.871 20 30 CFEDMN CCC[C@H]1CN(CCCC2(C#N)CCOCC2)CCO1 ZINC000337197152 382774569 /nfs/dbraw/zinc/77/45/69/382774569.db2.gz YGFZTYIANIKABK-HNNXBMFYSA-N 0 1 280.412 2.588 20 30 CFEDMN C=CCN1CC[C@@H](N(C)Cc2ccc(Cl)cc2C)C1=O ZINC000337238016 382782844 /nfs/dbraw/zinc/78/28/44/382782844.db2.gz YYQBEFIDPSHUEK-OAHLLOKOSA-N 0 1 292.810 2.867 20 30 CFEDMN N#Cc1ccccc1CN[C@@H]1CCC[C@H]1OC(F)F ZINC000337276244 382791773 /nfs/dbraw/zinc/79/17/73/382791773.db2.gz FBQWEJKDSILNPL-CHWSQXEVSA-N 0 1 266.291 2.808 20 30 CFEDMN C=CCCc1ccccc1NC(=O)NCCc1nc(C)n[nH]1 ZINC000337613326 382848084 /nfs/dbraw/zinc/84/80/84/382848084.db2.gz WYJWGBRAJIRNPS-UHFFFAOYSA-N 0 1 299.378 2.596 20 30 CFEDMN CC(=Cc1cccc(F)c1)c1nc(C)c(C#N)c(=O)[nH]1 ZINC000576455168 382823148 /nfs/dbraw/zinc/82/31/48/382823148.db2.gz YAYARDGCMVJCPL-RMKNXTFCSA-N 0 1 269.279 2.650 20 30 CFEDMN Cc1ncncc1[C@@H](C)NCc1cccc(C#N)c1 ZINC000576648310 382831295 /nfs/dbraw/zinc/83/12/95/382831295.db2.gz NWFFTKASGLEUIA-LLVKDONJSA-N 0 1 252.321 2.508 20 30 CFEDMN Cc1nc(C(=O)[C@@H](C#N)c2cc(C)nc(C)n2)c(C)s1 ZINC000337518654 382836228 /nfs/dbraw/zinc/83/62/28/382836228.db2.gz AUSALWMNGUAYDV-NSHDSACASA-N 0 1 286.360 2.657 20 30 CFEDMN Cc1nc(C(=O)C(C#N)c2cc(C)nc(C)n2)c(C)s1 ZINC000337518654 382836230 /nfs/dbraw/zinc/83/62/30/382836230.db2.gz AUSALWMNGUAYDV-NSHDSACASA-N 0 1 286.360 2.657 20 30 CFEDMN CO[C@]1(C)CCCN(Cc2ccc(C#N)cc2F)C1 ZINC000230265380 382858191 /nfs/dbraw/zinc/85/81/91/382858191.db2.gz KXFLPPFIJJUFCV-OAHLLOKOSA-N 0 1 262.328 2.698 20 30 CFEDMN Cc1c(C#N)cccc1C(=O)Nc1cc(CN(C)C)ccn1 ZINC000337822511 382869167 /nfs/dbraw/zinc/86/91/67/382869167.db2.gz PLODPQMVMMFYOV-UHFFFAOYSA-N 0 1 294.358 2.576 20 30 CFEDMN CC[C@H](C)[C@@H]1C[N@H+](CCCC#N)CCN1CCCC#N ZINC000337981578 382887154 /nfs/dbraw/zinc/88/71/54/382887154.db2.gz SRCAUDKIFOUFOH-HOTGVXAUSA-N 0 1 276.428 2.626 20 30 CFEDMN N#Cc1sc(NCCN2CCCCC2)nc1Cl ZINC000236076206 382891323 /nfs/dbraw/zinc/89/13/23/382891323.db2.gz ONVSZVDJUUOMTJ-UHFFFAOYSA-N 0 1 270.789 2.566 20 30 CFEDMN Cn1cc(CN2CCC[C@H]2c2ccccn2)cc1C#N ZINC000578108028 382892127 /nfs/dbraw/zinc/89/21/27/382892127.db2.gz XRQYUMIEDHENCN-INIZCTEOSA-N 0 1 266.348 2.629 20 30 CFEDMN C=C(Cl)CN1CC[C@@H]([C@H](C)NC(=O)OC(C)(C)C)C1 ZINC000495068337 382957965 /nfs/dbraw/zinc/95/79/65/382957965.db2.gz RIZSSIIUXGZODC-NWDGAFQWSA-N 0 1 288.819 2.974 20 30 CFEDMN CC[C@H](C)c1nc([C@H](C)N[C@H]2CC[C@H](C#N)C2)n[nH]1 ZINC000442851520 382960877 /nfs/dbraw/zinc/96/08/77/382960877.db2.gz FCALYYHIOBVHMW-BJDJZHNGSA-N 0 1 261.373 2.661 20 30 CFEDMN C=CCN(C)Cc1ccc(OCC(F)(F)F)nc1 ZINC000494627999 382914115 /nfs/dbraw/zinc/91/41/15/382914115.db2.gz GAEGUYLPWYGSDZ-UHFFFAOYSA-N 0 1 260.259 2.641 20 30 CFEDMN C[C@H](NCC#Cc1ccccc1Cl)c1cn[nH]c1 ZINC000494670921 382918453 /nfs/dbraw/zinc/91/84/53/382918453.db2.gz AVRQBBNLNZKKLK-NSHDSACASA-N 0 1 259.740 2.765 20 30 CFEDMN CC[C@H](CC#N)NC[C@H](O)COc1ccccc1C(C)C ZINC000578519705 382928266 /nfs/dbraw/zinc/92/82/66/382928266.db2.gz FBDVSKYSVQFONS-CABCVRRESA-N 0 1 290.407 2.832 20 30 CFEDMN COC(=O)c1cccc(CN2C[C@H](C)C[C@H](C)C2)c1C#N ZINC000534487973 382931649 /nfs/dbraw/zinc/93/16/49/382931649.db2.gz XUKQUAUGHLJNCD-BETUJISGSA-N 0 1 286.375 2.823 20 30 CFEDMN CC(C)[C@@H]1CCC[N@H+]([C@H](C)C(=O)N[C@](C)(C#N)C(C)C)C1 ZINC000444754550 382978901 /nfs/dbraw/zinc/97/89/01/382978901.db2.gz TWXOLPRLPQEAPA-BFYDXBDKSA-N 0 1 293.455 2.797 20 30 CFEDMN C[C@@H](C#N)CN(C)C[C@@]1(C)CCN(C(=O)OC(C)(C)C)C1 ZINC000495335259 382981156 /nfs/dbraw/zinc/98/11/56/382981156.db2.gz FIMHERDMFYOFNN-XJKSGUPXSA-N 0 1 295.427 2.725 20 30 CFEDMN C=CC[C@H](C)NC(=O)N(C)Cc1cc(C(C)(C)C)[nH]n1 ZINC000445114570 382984057 /nfs/dbraw/zinc/98/40/57/382984057.db2.gz ZJSGEGSFSPYERB-NSHDSACASA-N 0 1 278.400 2.813 20 30 CFEDMN CCN(CCC#N)C[C@]1(C)CCN(C(=O)OC(C)(C)C)C1 ZINC000495417534 382987105 /nfs/dbraw/zinc/98/71/05/382987105.db2.gz ALXSPUNHFBAVQY-INIZCTEOSA-N 0 1 295.427 2.869 20 30 CFEDMN C=CCCCCCNC(=O)c1cn[nH]c1-c1ccccn1 ZINC000579141907 382987719 /nfs/dbraw/zinc/98/77/19/382987719.db2.gz UNZMZVSOIBACTR-UHFFFAOYSA-N 0 1 284.363 2.948 20 30 CFEDMN C[C@@H](c1cccc(C#N)c1)N1CC[C@H](OC(F)F)C1 ZINC000549077675 382998589 /nfs/dbraw/zinc/99/85/89/382998589.db2.gz DQCLWWGCPBFLKL-GWCFXTLKSA-N 0 1 266.291 2.933 20 30 CFEDMN C[C@H](c1cccc(C#N)c1)N1CC[C@H](OC(F)F)C1 ZINC000549077676 382999052 /nfs/dbraw/zinc/99/90/52/382999052.db2.gz DQCLWWGCPBFLKL-MFKMUULPSA-N 0 1 266.291 2.933 20 30 CFEDMN C[C@@H](NCCOc1cccc(C#N)c1)c1ccncc1F ZINC000338360634 383003083 /nfs/dbraw/zinc/00/30/83/383003083.db2.gz XOTWPGIPBZPCOB-GFCCVEGCSA-N 0 1 285.322 2.822 20 30 CFEDMN C=CCC1(NC(=O)[C@H](C)Cc2cnc[nH]2)CCCCC1 ZINC000579374848 383010617 /nfs/dbraw/zinc/01/06/17/383010617.db2.gz QKGXRBJKEJTXEJ-CYBMUJFWSA-N 0 1 275.396 2.984 20 30 CFEDMN CC(=O)c1ccc(C#N)cc1N1CC[C@]2(C1)CCC[N@H+](C)C2 ZINC000338746820 383037413 /nfs/dbraw/zinc/03/74/13/383037413.db2.gz RYZBIKVTPYHSJY-GOSISDBHSA-N 0 1 297.402 2.683 20 30 CFEDMN N#CCC1(CN[C@H](c2nnc[nH]2)C2CCCCC2)CC1 ZINC000579664625 383040190 /nfs/dbraw/zinc/04/01/90/383040190.db2.gz HLULCOMXGJQWIT-ZDUSSCGKSA-N 0 1 273.384 2.710 20 30 CFEDMN COc1cccc([C@@H]2C[C@H]2NC[C@@H](C#N)CCC#N)c1 ZINC000579692170 383043167 /nfs/dbraw/zinc/04/31/67/383043167.db2.gz HHGAGLXKITXTGO-UHOFOFEASA-N 0 1 269.348 2.584 20 30 CFEDMN C=CCCCCC[N@@H+]1CCC[C@](COC)(C(=O)[O-])C1 ZINC000565112342 383175863 /nfs/dbraw/zinc/17/58/63/383175863.db2.gz KFGUEBPLPIGVRZ-HNNXBMFYSA-N 0 1 269.385 2.546 20 30 CFEDMN C=C[C@@H]1OCC[C@H]1NCc1ccc(Oc2ccccc2)nn1 ZINC000565873936 383181851 /nfs/dbraw/zinc/18/18/51/383181851.db2.gz IKMOYAAKAQBYFA-CVEARBPZSA-N 0 1 297.358 2.702 20 30 CFEDMN C=CCCCC[N@@H+](CCc1ccccc1)CC(=O)[O-] ZINC000566363911 383186289 /nfs/dbraw/zinc/18/62/89/383186289.db2.gz VPGGACNDHVGNKF-UHFFFAOYSA-N 0 1 261.365 2.972 20 30 CFEDMN CC[C@@H](C(=O)N(C)[C@@H](C)CC#N)N(C)Cc1ccccc1 ZINC000339274081 383188293 /nfs/dbraw/zinc/18/82/93/383188293.db2.gz HQUYDEGJBQOMLQ-HOCLYGCPSA-N 0 1 287.407 2.658 20 30 CFEDMN CC(C)C[C@@H]1CCCN(CC(=O)N[C@](C)(C#N)C(C)C)C1 ZINC000247694924 383191572 /nfs/dbraw/zinc/19/15/72/383191572.db2.gz TUSFVUMLOHKUBU-DOTOQJQBSA-N 0 1 293.455 2.799 20 30 CFEDMN C=C(C)CN(CC)C(=O)[C@H](C)N1CC[C@@H](OCC(C)C)C1 ZINC000247700297 383192804 /nfs/dbraw/zinc/19/28/04/383192804.db2.gz UNJBJKLQNAXIGF-JKSUJKDBSA-N 0 1 296.455 2.546 20 30 CFEDMN C=CCCN1CC(C)(C)O[C@@](C)(C(F)(F)F)C1 ZINC000339443009 383199708 /nfs/dbraw/zinc/19/97/08/383199708.db2.gz FGFVXFVIWYPBRW-LLVKDONJSA-N 0 1 251.292 2.994 20 30 CFEDMN CCc1ccccc1NC(=O)C[C@@H](C)NCC1(C#N)CC1 ZINC000562384525 383156652 /nfs/dbraw/zinc/15/66/52/383156652.db2.gz SESFRLCIASENEJ-CYBMUJFWSA-N 0 1 285.391 2.859 20 30 CFEDMN CC(C)CCN(CCC#N)C[C@@H]1CCCC[C@H]1O ZINC000562478450 383158744 /nfs/dbraw/zinc/15/87/44/383158744.db2.gz HKJLGSLJSLNTKQ-LSDHHAIUSA-N 0 1 252.402 2.799 20 30 CFEDMN CC[C@H](NCc1ccc(CC#N)cc1)c1ccn(C)n1 ZINC000515382920 383160501 /nfs/dbraw/zinc/16/05/01/383160501.db2.gz GPMCHJKAAASUBQ-HNNXBMFYSA-N 0 1 268.364 2.727 20 30 CFEDMN C=C[C@@H]1OCC[C@H]1C(=O)Nc1cc(F)cc(Cl)c1O ZINC000562702198 383162196 /nfs/dbraw/zinc/16/21/96/383162196.db2.gz OZGUWMVEEYUOBU-KCJUWKMLSA-N 0 1 285.702 2.714 20 30 CFEDMN N#CCCNCC1(c2cccc(Br)c2)CC1 ZINC000516454754 383163970 /nfs/dbraw/zinc/16/39/70/383163970.db2.gz VFZCZXQSTGXSMN-UHFFFAOYSA-N 0 1 279.181 2.984 20 30 CFEDMN CC(C)C[C@@H]1OCCC[C@H]1NC[C@H](C#N)CCC#N ZINC000563014628 383163934 /nfs/dbraw/zinc/16/39/34/383163934.db2.gz ZNQUQLAVHFITLX-ZNMIVQPWSA-N 0 1 263.385 2.613 20 30 CFEDMN C[C@H](COc1ccc(F)cc1F)NC[C@@H](C#N)CCC#N ZINC000562988333 383164088 /nfs/dbraw/zinc/16/40/88/383164088.db2.gz YJKFOXCXOPXYHP-VXGBXAGGSA-N 0 1 293.317 2.765 20 30 CFEDMN CC(C)[C@@H](CC(F)(F)F)NC[C@H](C#N)CCC#N ZINC000563013350 383164396 /nfs/dbraw/zinc/16/43/96/383164396.db2.gz IZMPIIMHXFXXQU-WDEREUQCSA-N 0 1 261.291 2.997 20 30 CFEDMN C[C@H](O)[C@](C)(CNC[C@H](C#N)CCC#N)Cc1ccccc1 ZINC000520582992 383263925 /nfs/dbraw/zinc/26/39/25/383263925.db2.gz GHCPHINXKGZTMV-SZMVWBNQSA-N 0 1 299.418 2.649 20 30 CFEDMN COc1ccccc1[C@H](CNc1ccc(C#N)cn1)N(C)C ZINC000248188107 383217954 /nfs/dbraw/zinc/21/79/54/383217954.db2.gz JIENZYATJZLJDI-HNNXBMFYSA-N 0 1 296.374 2.677 20 30 CFEDMN COc1ccccc1[C@@H](CNc1ccc(C#N)cn1)N(C)C ZINC000248188108 383218116 /nfs/dbraw/zinc/21/81/16/383218116.db2.gz JIENZYATJZLJDI-OAHLLOKOSA-N 0 1 296.374 2.677 20 30 CFEDMN N#Cc1ccc2c(c1)N(C(=O)c1cccc3c[nH]nc31)CC2 ZINC000339821312 383329903 /nfs/dbraw/zinc/32/99/03/383329903.db2.gz KEGASZWVIBZYPX-UHFFFAOYSA-N 0 1 288.310 2.637 20 30 CFEDMN N#Cc1cccc([N+](=O)[O-])c1CN1CC[C@H]2CCC[C@H]21 ZINC000459419230 383287394 /nfs/dbraw/zinc/28/73/94/383287394.db2.gz BIZUNTRHEGCQNQ-BXUZGUMPSA-N 0 1 271.320 2.841 20 30 CFEDMN C[C@H]1CCC[C@@H]1NCc1c(C#N)cccc1[N+](=O)[O-] ZINC000459416721 383288048 /nfs/dbraw/zinc/28/80/48/383288048.db2.gz HHMINMGNRQKIJQ-GWCFXTLKSA-N 0 1 259.309 2.745 20 30 CFEDMN CCO[C@@H]1CCN(Cc2ccc(C#N)cc2F)C[C@@H]1C ZINC000449510614 383346683 /nfs/dbraw/zinc/34/66/83/383346683.db2.gz XLTMUEMERXZAJL-BLLLJJGKSA-N 0 1 276.355 2.944 20 30 CFEDMN C[C@H]1CCN(Cc2ccc(C#N)c(F)c2)C[C@H]1n1ccnc1 ZINC000248911699 383307468 /nfs/dbraw/zinc/30/74/68/383307468.db2.gz YDZKTOAMDDDMQG-SUMWQHHRSA-N 0 1 298.365 2.977 20 30 CFEDMN C=CCOc1ccc(CN[C@H](C)c2cn[nH]c2)cc1OC ZINC000339786413 383318438 /nfs/dbraw/zinc/31/84/38/383318438.db2.gz HUHGDULZUJOQPT-GFCCVEGCSA-N 0 1 287.363 2.834 20 30 CFEDMN C=CCOc1ccc(CN[C@@H](C)c2cn[nH]c2)cc1OC ZINC000339786415 383318708 /nfs/dbraw/zinc/31/87/08/383318708.db2.gz HUHGDULZUJOQPT-LBPRGKRZSA-N 0 1 287.363 2.834 20 30 CFEDMN CO[C@](C)(CNCc1nc(C#N)cs1)c1ccccc1 ZINC000449482286 383323049 /nfs/dbraw/zinc/32/30/49/383323049.db2.gz BFLBKTABPUVNQG-OAHLLOKOSA-N 0 1 287.388 2.666 20 30 CFEDMN C=C[C@@H]1OCC[C@H]1NCc1cnc(C(F)(F)F)s1 ZINC000449516404 383350618 /nfs/dbraw/zinc/35/06/18/383350618.db2.gz AOLGVWSHURMYPV-BDAKNGLRSA-N 0 1 278.299 2.595 20 30 CFEDMN C=C[C@@H]1OCC[C@H]1NCc1nc2ccc(OC)cc2s1 ZINC000449519846 383353311 /nfs/dbraw/zinc/35/33/11/383353311.db2.gz OALNHKRNSJRTNV-YPMHNXCESA-N 0 1 290.388 2.738 20 30 CFEDMN C=C[C@@H]1OCC[C@H]1NCc1csc(-c2ccco2)n1 ZINC000449520196 383353466 /nfs/dbraw/zinc/35/34/66/383353466.db2.gz OQQOQBMZHXHCLR-NEPJUHHUSA-N 0 1 276.361 2.836 20 30 CFEDMN C=CCC[C@H](CO)NCc1nc(CCC)cs1 ZINC000449701386 383362214 /nfs/dbraw/zinc/36/22/14/383362214.db2.gz WEEBXPCBBQLVNY-LLVKDONJSA-N 0 1 254.399 2.512 20 30 CFEDMN C=CCC1(C(=O)N2C[C@H](C)N(C)C[C@H]2C)CCCC1 ZINC000450539674 383451798 /nfs/dbraw/zinc/45/17/98/383451798.db2.gz KSVVUOOKNOEIFY-UONOGXRCSA-N 0 1 264.413 2.674 20 30 CFEDMN N#CC1(CN(Cc2ccccc2)[C@H](CO)C2CC2)CCC1 ZINC000450623887 383478365 /nfs/dbraw/zinc/47/83/65/383478365.db2.gz RCSOFWRLENKTNJ-QGZVFWFLSA-N 0 1 284.403 2.953 20 30 CFEDMN C[C@@H](CCO)N(Cc1ccccc1)CC1(C#N)CCC1 ZINC000450649242 383479836 /nfs/dbraw/zinc/47/98/36/383479836.db2.gz WUKHTFSOZRLWQY-HNNXBMFYSA-N 0 1 272.392 2.953 20 30 CFEDMN CO[C@@]1(C)C[C@@H](N(C)CC2(C#N)CCC2)C1(C)C ZINC000450456766 383417630 /nfs/dbraw/zinc/41/76/30/383417630.db2.gz YTXJUWJQJUCTLP-OCCSQVGLSA-N 0 1 250.386 2.816 20 30 CFEDMN C=C(C)CN(CC)CC(=O)N(C)[C@H]1CCCC[C@H]1C ZINC000255961353 383488359 /nfs/dbraw/zinc/48/83/59/383488359.db2.gz YYXDRRKTORRVOO-CABCVRRESA-N 0 1 266.429 2.922 20 30 CFEDMN C=C(C)[C@H](NC[C@](C)(O)C(C)=O)c1ccc(F)c(F)c1 ZINC000450779240 383489133 /nfs/dbraw/zinc/48/91/33/383489133.db2.gz OMASFIKXGRHEPO-GJZGRUSLSA-N 0 1 283.318 2.512 20 30 CFEDMN C[C@@H](C(=O)Nc1ccccc1)N1CCC(CC#N)CC1 ZINC000260481796 383504812 /nfs/dbraw/zinc/50/48/12/383504812.db2.gz KKPJJMTXQSBKCF-ZDUSSCGKSA-N 0 1 271.364 2.639 20 30 CFEDMN CSC[C@@H]1CCCN(C[C@@H](C#N)CCC#N)C1 ZINC000429296054 383515582 /nfs/dbraw/zinc/51/55/82/383515582.db2.gz RIFDEVQIIRVZMS-CHWSQXEVSA-N 0 1 251.399 2.505 20 30 CFEDMN CO[C@@H]1CCCC[C@@H]1NCc1ccc(F)cc1C#N ZINC000429509104 383538096 /nfs/dbraw/zinc/53/80/96/383538096.db2.gz FDZCQPKIQXMRJT-LSDHHAIUSA-N 0 1 262.328 2.745 20 30 CFEDMN CC1(C)CN(C[C@H](O)CC2(C#N)CC2)[C@@H]1c1cccnc1 ZINC000528560572 383576419 /nfs/dbraw/zinc/57/64/19/383576419.db2.gz LLIKRHGNGPEPKZ-HUUCEWRRSA-N 0 1 285.391 2.519 20 30 CFEDMN COCCC1CCN(Cc2ccc(F)c(C#N)c2)CC1 ZINC000528576471 383582519 /nfs/dbraw/zinc/58/25/19/383582519.db2.gz SZAOKUNKHZUEOS-UHFFFAOYSA-N 0 1 276.355 2.946 20 30 CFEDMN Cc1nc(C(=O)Nc2nc3ccc(F)cc3[nH]2)ccc1C#N ZINC000488924562 383584706 /nfs/dbraw/zinc/58/47/06/383584706.db2.gz GGLNREMIVYSQPY-UHFFFAOYSA-N 0 1 295.277 2.529 20 30 CFEDMN CC(C)(C#N)CCCCN1CCO[C@@]2(CCSC2)C1 ZINC000570393454 383599806 /nfs/dbraw/zinc/59/98/06/383599806.db2.gz ICEUQNMPSXECSU-HNNXBMFYSA-N 0 1 282.453 2.914 20 30 CFEDMN CCC(C#N)(CC)C(=O)NCc1nc2ccc(F)cc2[nH]1 ZINC000528702102 383610309 /nfs/dbraw/zinc/61/03/09/383610309.db2.gz JEHSKQQJJFCAKW-UHFFFAOYSA-N 0 1 288.326 2.648 20 30 CFEDMN C=CCCCCN1CCN(C(=O)c2cscn2)[C@@H](C)C1 ZINC000570054797 383567243 /nfs/dbraw/zinc/56/72/43/383567243.db2.gz QTDGWQSGANLILY-ZDUSSCGKSA-N 0 1 293.436 2.646 20 30 CFEDMN CCO[C@H]1CCN(Cc2cccc(C#N)c2F)C[C@@H]1C ZINC000451547103 383641575 /nfs/dbraw/zinc/64/15/75/383641575.db2.gz TWCUACUOAJXDFW-WFASDCNBSA-N 0 1 276.355 2.944 20 30 CFEDMN C=CCCC[C@H](C)NC(=O)[C@@H]1CCN1C1CCCC1 ZINC000635771040 383644006 /nfs/dbraw/zinc/64/40/06/383644006.db2.gz RLJYCCMTHZVFIT-ZFWWWQNUSA-N 0 1 264.413 2.864 20 30 CFEDMN C=CCn1c(CCCC)n[n-]c1=[NH+]c1cnn(C(C)C)c1 ZINC000570696770 383627753 /nfs/dbraw/zinc/62/77/53/383627753.db2.gz UGTAGQMVADLMHZ-UHFFFAOYSA-N 0 1 288.399 2.750 20 30 CFEDMN C=CC[C@@H](Cc1ccccc1)NC(=O)[C@@H](C)Cc1cnc[nH]1 ZINC000570695923 383627865 /nfs/dbraw/zinc/62/78/65/383627865.db2.gz GHJRFZAFCMPTQM-HOCLYGCPSA-N 0 1 297.402 2.892 20 30 CFEDMN CO[C@@]1(C)C[C@H](NCc2ccc(F)cc2C#N)C1(C)C ZINC000451497182 383628549 /nfs/dbraw/zinc/62/85/49/383628549.db2.gz VMCDRXVOJSFBPP-HOCLYGCPSA-N 0 1 276.355 2.991 20 30 CFEDMN C=CCN(Cc1nc(C(C)(C)N)no1)CC1CCCCC1 ZINC000431081382 383628657 /nfs/dbraw/zinc/62/86/57/383628657.db2.gz PMTKSMYVDIDLIZ-UHFFFAOYSA-N 0 1 292.427 2.832 20 30 CFEDMN CCO[C@H]1CC[N@@H+](CCOc2cccc(C#N)c2)C[C@@H]1C ZINC000451527944 383636633 /nfs/dbraw/zinc/63/66/33/383636633.db2.gz HRUDURBTYUREMF-YOEHRIQHSA-N 0 1 288.391 2.684 20 30 CFEDMN Cc1cccc(NC(=O)C(C#N)C(=O)[C@H]2[C@H](C3CC3)[C@@H]2C)c1 ZINC000528918167 383676032 /nfs/dbraw/zinc/67/60/32/383676032.db2.gz HYRAMMCQGIRQIO-BJKJVOPESA-N 0 1 296.370 2.935 20 30 CFEDMN C[C@@H]1[C@H](C(=O)C(C#N)C(=O)Nc2ccccc2)[C@H]1C1CC1 ZINC000528915160 383676060 /nfs/dbraw/zinc/67/60/60/383676060.db2.gz AKWIVHHUWXOIBP-QOWREQOWSA-N 0 1 282.343 2.626 20 30 CFEDMN C#CCCCC(=O)N1CCN(Cc2ccccc2)[C@@H](CC)C1 ZINC000192173917 533007137 /nfs/dbraw/zinc/00/71/37/533007137.db2.gz DRYUMSYBJZKFLW-SFHVURJKSA-N 0 1 298.430 2.913 20 30 CFEDMN C[C@@H](CC#N)N(C)C(=O)C(C#N)CCc1ccccc1 ZINC000433342233 383761423 /nfs/dbraw/zinc/76/14/23/383761423.db2.gz KELVFTKJNDVOMN-ZFWWWQNUSA-N 0 1 269.348 2.520 20 30 CFEDMN C=C[C@H]1CCCCN1Cc1cnc(N2CCCC2)nc1 ZINC000572340049 383773910 /nfs/dbraw/zinc/77/39/10/383773910.db2.gz HRQFRAXJPZAGRR-HNNXBMFYSA-N 0 1 272.396 2.617 20 30 CFEDMN CC[C@@H](NCc1ccnc(OC)n1)c1ccc(C#N)cc1 ZINC000453251892 383815723 /nfs/dbraw/zinc/81/57/23/383815723.db2.gz FTVYDLPWESRGDL-OAHLLOKOSA-N 0 1 282.347 2.598 20 30 CFEDMN C=C(C)C(C)(C)C(=O)N1CCN(C)[C@@H](C(C)(C)C)C1 ZINC000640612856 383845416 /nfs/dbraw/zinc/84/54/16/383845416.db2.gz PZGLRSISFXCLLM-CYBMUJFWSA-N 0 1 266.429 2.777 20 30 CFEDMN C=C(C)C[C@H](C)C(=O)N1CCN(C)[C@H](C(C)(C)C)C1 ZINC000640622699 383854132 /nfs/dbraw/zinc/85/41/32/383854132.db2.gz MDDWLRKYALAMFG-KBPBESRZSA-N 0 1 266.429 2.777 20 30 CFEDMN CCC(=O)c1ccc(O)c(NC(=O)CC(C)(C)C#N)c1 ZINC000436652205 383863101 /nfs/dbraw/zinc/86/31/01/383863101.db2.gz KYKAWIOBSXQEOU-UHFFFAOYSA-N 0 1 274.320 2.863 20 30 CFEDMN C=CC[C@H](CC)NC(=O)Nc1cc(CN(C)C)ccn1 ZINC000640569148 383832179 /nfs/dbraw/zinc/83/21/79/383832179.db2.gz IHAIPAHQTDWFDH-ZDUSSCGKSA-N 0 1 276.384 2.619 20 30 CFEDMN C=C(C)CN(CC)C(=O)CN1CC[C@@H]1Cc1ccccc1 ZINC000437828245 383911484 /nfs/dbraw/zinc/91/14/84/383911484.db2.gz LGOYCAMWLLMEBM-QGZVFWFLSA-N 0 1 286.419 2.728 20 30 CFEDMN N#Cc1ccc(CN2CCC(c3ncc[nH]3)CC2)c(F)c1 ZINC000265487864 383930467 /nfs/dbraw/zinc/93/04/67/383930467.db2.gz MOFGZUYIPQJZDY-UHFFFAOYSA-N 0 1 284.338 2.800 20 30 CFEDMN COC(C)(C)CN(C)Cc1cn2ccccc2c1C#N ZINC000531576257 383890218 /nfs/dbraw/zinc/89/02/18/383890218.db2.gz MIKORVWGTYWNHC-UHFFFAOYSA-N 0 1 271.364 2.668 20 30 CFEDMN N#C[C@@H](NC(=O)c1c(O)cccc1F)c1ccccc1F ZINC000436986833 383900481 /nfs/dbraw/zinc/90/04/81/383900481.db2.gz HGVZDQMFYILLNX-GFCCVEGCSA-N 0 1 288.253 2.665 20 30 CFEDMN C=C(C)[C@H]1OCC[C@H]1CNC(=O)c1ccc(O)c(Cl)c1 ZINC000437520482 383905447 /nfs/dbraw/zinc/90/54/47/383905447.db2.gz YKYBSWVIQPIOKO-SMDDNHRTSA-N 0 1 295.766 2.757 20 30 CFEDMN C[C@H](CNc1ccc(Cl)cc1C#N)CN1CCOCC1 ZINC000265560769 383944897 /nfs/dbraw/zinc/94/48/97/383944897.db2.gz JDLGWASDSIGGQZ-GFCCVEGCSA-N 0 1 293.798 2.592 20 30 CFEDMN COc1ccc(CNCc2sc(C)nc2C)cc1C#N ZINC000266162728 384099932 /nfs/dbraw/zinc/09/99/32/384099932.db2.gz NZWLLNZBUDWKRP-UHFFFAOYSA-N 0 1 287.388 2.930 20 30 CFEDMN COc1cc(CNCc2cncc(C)c2)ccc1C#N ZINC000440633036 384117367 /nfs/dbraw/zinc/11/73/67/384117367.db2.gz DXJGFLANMNXOJV-UHFFFAOYSA-N 0 1 267.332 2.560 20 30 CFEDMN C[C@@H](COc1cccc(F)c1)NCc1ccc(C#N)o1 ZINC000266240139 384125149 /nfs/dbraw/zinc/12/51/49/384125149.db2.gz WYFAIFJWROYGNS-NSHDSACASA-N 0 1 274.295 2.847 20 30 CFEDMN CC[C@H](F)CN1CCCN(c2ccccc2C#N)CC1 ZINC000440704340 384128069 /nfs/dbraw/zinc/12/80/69/384128069.db2.gz VBFRBWKOPNPXKH-HNNXBMFYSA-N 0 1 275.371 2.818 20 30 CFEDMN N#CCC[C@@H](C#N)CN[C@@H]1C[C@H]1c1ccc(F)cc1 ZINC000574894669 384161454 /nfs/dbraw/zinc/16/14/54/384161454.db2.gz KYSZFVIIKSGGKD-TUKIKUTGSA-N 0 1 257.312 2.715 20 30 CFEDMN CCCN(CC)CC(=O)Nc1ccccc1SCC#N ZINC000266712092 384224358 /nfs/dbraw/zinc/22/43/58/384224358.db2.gz DWMOZQOTUWBKQI-UHFFFAOYSA-N 0 1 291.420 2.973 20 30 CFEDMN CC[C@@H](C)c1nc([C@@H](C)NC(=O)c2cccc(C#N)c2)n[nH]1 ZINC000277723005 384387008 /nfs/dbraw/zinc/38/70/08/384387008.db2.gz FXTFZVIACBKHPO-GHMZBOCLSA-N 0 1 297.362 2.681 20 30 CFEDMN C[C@H]1CN(CC(=O)Nc2cc(Cl)ccc2C#N)C[C@@H]1C ZINC000267783026 384463906 /nfs/dbraw/zinc/46/39/06/384463906.db2.gz IEAVVSMKXSWUMU-QWRGUYRKSA-N 0 1 291.782 2.738 20 30 CFEDMN Cc1cc2[nH]ncc2cc1NC(=O)c1ccc(C#N)o1 ZINC000349747235 220295458 /nfs/dbraw/zinc/29/54/58/220295458.db2.gz JGUJHGMVTYAPND-UHFFFAOYSA-N 0 1 266.260 2.588 20 30 CFEDMN C#C[C@@H](C)NCc1cc(Cl)c(OCC)c(OC)c1 ZINC000289323058 197296514 /nfs/dbraw/zinc/29/65/14/197296514.db2.gz FZMJJXNRNLQIEW-SNVBAGLBSA-N 0 1 267.756 2.859 20 30 CFEDMN C=C(CNC(=O)N[C@H]1CCCc2cn[nH]c21)c1ccccc1 ZINC000289318639 197296108 /nfs/dbraw/zinc/29/61/08/197296108.db2.gz WZXWHWGMQUDQIV-HNNXBMFYSA-N 0 1 296.374 2.800 20 30 CFEDMN C#CCN(Cc1ccccc1)C[C@@H](O)c1ccsc1 ZINC000268323237 384602521 /nfs/dbraw/zinc/60/25/21/384602521.db2.gz LFKLLRYGEIKYSL-MRXNPFEDSA-N 0 1 271.385 2.917 20 30 CFEDMN C=CC[C@H]1CCCC[C@H]1NC(=O)c1oc(CN)cc1C ZINC000638401174 384623193 /nfs/dbraw/zinc/62/31/93/384623193.db2.gz QELBPEFQFOVWRE-GXTWGEPZSA-N 0 1 276.380 2.911 20 30 CFEDMN C=C[C@H](CC(=O)N1CCNC[C@H]1C(C)C)c1ccccc1 ZINC000638492330 384695065 /nfs/dbraw/zinc/69/50/65/384695065.db2.gz NZEASBNOQHBFSP-WBVHZDCISA-N 0 1 286.419 2.803 20 30 CFEDMN CSCCCN(C)Cc1ccc(C#N)cc1F ZINC000281155631 195126776 /nfs/dbraw/zinc/12/67/76/195126776.db2.gz FTMWNAKRVRRJGR-UHFFFAOYSA-N 0 1 252.358 2.882 20 30 CFEDMN C=CC[N@H+](C)C[C@@H](O)Cc1ccc2ccccc2c1 ZINC000279829519 384778057 /nfs/dbraw/zinc/77/80/57/384778057.db2.gz YYOXBSBAYKKGAR-KRWDZBQOSA-N 0 1 255.361 2.861 20 30 CFEDMN C[C@H](O)C[C@H]1CCCC[N@H+]1CCOc1ccccc1C#N ZINC000279706997 384728979 /nfs/dbraw/zinc/72/89/79/384728979.db2.gz HQTKZZFHTSSWLN-GOEBONIOSA-N 0 1 288.391 2.562 20 30 CFEDMN C=CCOc1cccc(C[N@@H+]2CCC[C@](C)(O)CC2)c1 ZINC000279759508 384749644 /nfs/dbraw/zinc/74/96/44/384749644.db2.gz ZRCVIKKOFRXFKS-KRWDZBQOSA-N 0 1 275.392 2.988 20 30 CFEDMN C=CCCC(C)(C)CNC(=O)[C@@](C)(N)c1ccccc1 ZINC000638873523 385005177 /nfs/dbraw/zinc/00/51/77/385005177.db2.gz BDVLMQIQQHAMEU-KRWDZBQOSA-N 0 1 274.408 2.969 20 30 CFEDMN C=CCCC(C)(C)CNC(=O)[C@H]1Cc2ccccc2CN1 ZINC000638875204 385009347 /nfs/dbraw/zinc/00/93/47/385009347.db2.gz OREZLELJEPEYQN-MRXNPFEDSA-N 0 1 286.419 2.810 20 30 CFEDMN CO[C@]1(C)CCCN(Cc2ccc(C#N)s2)C1 ZINC000280575113 385067738 /nfs/dbraw/zinc/06/77/38/385067738.db2.gz MBLKXTAJWOGLAJ-CYBMUJFWSA-N 0 1 250.367 2.621 20 30 CFEDMN C[C@H](CNC(=O)c1ccc(CC#N)cc1)[N@H+]1CCC[C@H](C)C1 ZINC000270300626 385045697 /nfs/dbraw/zinc/04/56/97/385045697.db2.gz YURXPTDIKWBMCA-LSDHHAIUSA-N 0 1 299.418 2.603 20 30 CFEDMN C=CCN1CC[C@H](N(C)[C@@H](C)c2cccc(F)c2)C1=O ZINC000281420620 385196041 /nfs/dbraw/zinc/19/60/41/385196041.db2.gz BQTUYWBJMREYQD-WFASDCNBSA-N 0 1 276.355 2.605 20 30 CFEDMN CC(C)c1nc([C@@H](C)NCc2ccc(C#N)cc2)n[nH]1 ZINC000270622162 385167361 /nfs/dbraw/zinc/16/73/61/385167361.db2.gz CMOCVBSROXXUPB-LLVKDONJSA-N 0 1 269.352 2.651 20 30 CFEDMN C=CCCN(C)Cc1c(OC)cc(F)cc1OC ZINC000639092533 385177806 /nfs/dbraw/zinc/17/78/06/385177806.db2.gz WEGAYHYRDNUGGO-UHFFFAOYSA-N 0 1 253.317 2.851 20 30 CFEDMN C=CCN1CC[C@@H](N(Cc2ccc(C#N)cc2)C(C)C)C1=O ZINC000282101621 385212681 /nfs/dbraw/zinc/21/26/81/385212681.db2.gz WDDFWOKNFQHPOA-QGZVFWFLSA-N 0 1 297.402 2.556 20 30 CFEDMN C=CCn1c([C@H](C)CC)nnc1N1CCN(CCC)CC1 ZINC000282141868 385224820 /nfs/dbraw/zinc/22/48/20/385224820.db2.gz BMMGGUVQLWMKPT-CQSZACIVSA-N 0 1 291.443 2.510 20 30 CFEDMN CC(C)(CCC#N)CN1CCN(Cc2ccco2)CC1 ZINC000271034025 385312584 /nfs/dbraw/zinc/31/25/84/385312584.db2.gz JEGHNFHKHYQBBG-UHFFFAOYSA-N 0 1 275.396 2.727 20 30 CFEDMN Cc1ccsc1CN1CCN(c2cc(C#N)ccn2)CC1 ZINC000271042082 385315262 /nfs/dbraw/zinc/31/52/62/385315262.db2.gz NSYRDHSCGMLURO-UHFFFAOYSA-N 0 1 298.415 2.645 20 30 CFEDMN CN(CCC#N)c1ccc(CN2CCO[C@H]3CCC[C@@H]32)cc1 ZINC000271109929 385338380 /nfs/dbraw/zinc/33/83/80/385338380.db2.gz CUHIMKSEEXWWHE-ROUUACIJSA-N 0 1 299.418 2.790 20 30 CFEDMN CC1(C2CCN(Cc3ccc(C#N)s3)CC2)OCCO1 ZINC000271173040 385362283 /nfs/dbraw/zinc/36/22/83/385362283.db2.gz JMMYMJVLGSHFHL-UHFFFAOYSA-N 0 1 292.404 2.595 20 30 CFEDMN C=C[C@@H]1OCCC[C@H]1[NH2+][C@@H](c1nnc[n-]1)C1CCCCC1 ZINC000639233086 385363061 /nfs/dbraw/zinc/36/30/61/385363061.db2.gz VKMBPOVRBFPVCK-QLFBSQMISA-N 0 1 290.411 2.749 20 30 CFEDMN Cc1ncc([C@H](C)NCc2ccc(OCC#N)cc2)c(C)n1 ZINC000271483486 385384000 /nfs/dbraw/zinc/38/40/00/385384000.db2.gz NRMLMBFRZSDXHK-LBPRGKRZSA-N 0 1 296.374 2.847 20 30 CFEDMN Cc1cccc2nc([C@H](C#N)C(=O)NC3CCCCC3)[nH]c21 ZINC000271070157 385327032 /nfs/dbraw/zinc/32/70/32/385327032.db2.gz FAEQASZIKSNQHQ-ZDUSSCGKSA-N 0 1 296.374 2.927 20 30 CFEDMN CCc1nc([C@@H](C)N[C@@H](C)c2ccc(OCC#N)cc2)n[nH]1 ZINC000271827270 385393417 /nfs/dbraw/zinc/39/34/17/385393417.db2.gz DFEWHABHTPJCHZ-NWDGAFQWSA-N 0 1 299.378 2.681 20 30 CFEDMN C#CCN(CC)Cc1ccc(-c2cnn(C)c2)s1 ZINC000282821552 385394141 /nfs/dbraw/zinc/39/41/41/385394141.db2.gz PJIMBSYOKSXEHX-UHFFFAOYSA-N 0 1 259.378 2.604 20 30 CFEDMN C[C@@H](N[C@H](C)c1ccc(C#N)c(F)c1)c1cnn(C)c1 ZINC000271941315 385407282 /nfs/dbraw/zinc/40/72/82/385407282.db2.gz LYDGARPSXSHKOJ-GHMZBOCLSA-N 0 1 272.327 2.843 20 30 CFEDMN C[C@@H](C#N)C(=O)Nc1ccc2nc(C(C)(C)C)[nH]c2c1 ZINC000335998630 533120342 /nfs/dbraw/zinc/12/03/42/533120342.db2.gz CTSYNESMSCJHBK-VIFPVBQESA-N 0 1 270.336 2.959 20 30 CFEDMN C=C(C)CN(CC)C(=O)c1cccc2[nH]c(C)nc21 ZINC000283477659 385469074 /nfs/dbraw/zinc/46/90/74/385469074.db2.gz MWYXJWWSOQEPGP-UHFFFAOYSA-N 0 1 257.337 2.910 20 30 CFEDMN Cn1ncc2c1CCC[C@@H]2NC1(c2cccc(C#N)c2)CC1 ZINC000272168741 385464510 /nfs/dbraw/zinc/46/45/10/385464510.db2.gz CWVXLWKYABGDTG-INIZCTEOSA-N 0 1 292.386 2.948 20 30 CFEDMN C=CCOc1ccc(CNC2(C)COC2)cc1Cl ZINC000639381604 385499257 /nfs/dbraw/zinc/49/92/57/385499257.db2.gz FWHBFDOLDMZBDZ-UHFFFAOYSA-N 0 1 267.756 2.783 20 30 CFEDMN C=CCN(CCc1ccccc1)Cc1ccc(OC)nn1 ZINC000283698265 385490001 /nfs/dbraw/zinc/49/00/01/385490001.db2.gz XXYCHPZBMGGHAW-UHFFFAOYSA-N 0 1 283.375 2.716 20 30 CFEDMN N#Cc1ccc(CN2CC[C@@H](C(F)(F)F)[C@@H](CO)C2)cc1 ZINC000286278076 385582254 /nfs/dbraw/zinc/58/22/54/385582254.db2.gz BQEMUJNUJHYBEU-ZIAGYGMSSA-N 0 1 298.308 2.551 20 30 CFEDMN Cc1cc(C[C@H](C)Nc2nc(Cl)c(C#N)s2)[nH]n1 ZINC000286338053 385592848 /nfs/dbraw/zinc/59/28/48/385592848.db2.gz VULKVDFFYQJQOQ-LURJTMIESA-N 0 1 281.772 2.743 20 30 CFEDMN CCc1nc([C@H](C)Nc2nc(Cl)c(C#N)s2)n[nH]1 ZINC000286513075 385638427 /nfs/dbraw/zinc/63/84/27/385638427.db2.gz NSVGHUNSPKHTQV-YFKPBYRVSA-N 0 1 282.760 2.522 20 30 CFEDMN N#CCCCNCc1ccc(Br)cc1F ZINC000273094260 385671925 /nfs/dbraw/zinc/67/19/25/385671925.db2.gz UEYLVABLZFXKOH-UHFFFAOYSA-N 0 1 271.133 2.982 20 30 CFEDMN COc1cnccc1[C@H](C)NC(=O)[C@H]1CCCN1C1CC1 ZINC000330214564 533141859 /nfs/dbraw/zinc/14/18/59/533141859.db2.gz GGFJLPBVKDPDED-SMDDNHRTSA-N 0 1 289.379 2.735 20 30 CFEDMN C=C(CNC(=O)NCCCc1cn[nH]c1C)c1ccccc1 ZINC000287237728 385810203 /nfs/dbraw/zinc/81/02/03/385810203.db2.gz VZLQOLMVVJRBJO-UHFFFAOYSA-N 0 1 298.390 2.663 20 30 CFEDMN C=C(C)CCN1CCN(C(=O)c2ccc(C)cc2)CC1 ZINC000274796230 385873247 /nfs/dbraw/zinc/87/32/47/385873247.db2.gz PNXJRAHLLYYWBL-UHFFFAOYSA-N 0 1 272.392 2.719 20 30 CFEDMN C=C(C)CCN1CCN([C@@H](C)c2nccs2)CC1 ZINC000274847106 385882762 /nfs/dbraw/zinc/88/27/62/385882762.db2.gz QDRAMELNHKSMET-ZDUSSCGKSA-N 0 1 265.426 2.788 20 30 CFEDMN C=CCCN(C)C(=O)N[C@H]1CC[N@@H+](C)[C@H]1c1ccccc1 ZINC000276089975 385983133 /nfs/dbraw/zinc/98/31/33/385983133.db2.gz MJDYKRPKEDKAGJ-HOTGVXAUSA-N 0 1 287.407 2.649 20 30 CFEDMN C=CC[C@H](C(=O)N[C@@H](C)c1n[nH]c(CC)n1)c1ccccc1 ZINC000275318164 385974613 /nfs/dbraw/zinc/97/46/13/385974613.db2.gz KNFJTPRMMWDHBU-JSGCOSHPSA-N 0 1 298.390 2.904 20 30 CFEDMN C=CCNC(=O)CN1CCCC[C@@H]1c1ccccc1 ZINC000273903011 542464609 /nfs/dbraw/zinc/46/46/09/542464609.db2.gz XUIJTVMTHWAWLW-OAHLLOKOSA-N 0 1 258.365 2.516 20 30 CFEDMN C=CC[C@@H](C)NC(=O)NC[C@@H](c1ccco1)N1CCCC1 ZINC000116933183 260007592 /nfs/dbraw/zinc/00/75/92/260007592.db2.gz IXQWRCLGLLCVEE-KGLIPLIRSA-N 0 1 291.395 2.680 20 30 CFEDMN C=CCCN(C)C(=O)c1ccc(CN(CC)CC)o1 ZINC000682427407 542553856 /nfs/dbraw/zinc/55/38/56/542553856.db2.gz QNBXSTXEXMOSBL-UHFFFAOYSA-N 0 1 264.369 2.770 20 30 CFEDMN CO[C@H](C)CN1CCC[C@H]1[C@@H](C#N)c1ccccc1 ZINC000336804482 262395795 /nfs/dbraw/zinc/39/57/95/262395795.db2.gz CZMVSMKJAOLLMD-KBMXLJTQSA-N 0 1 258.365 2.793 20 30 CFEDMN C=C(C)CN(CC)CCCS(=O)(=O)c1ccc(F)cc1 ZINC000336822162 262397285 /nfs/dbraw/zinc/39/72/85/262397285.db2.gz KOZKFFFJLAWLBV-UHFFFAOYSA-N 0 1 299.411 2.888 20 30 CFEDMN C=CC[C@H](CC)NC(=O)c1sccc1CN(C)C ZINC000281781884 195379748 /nfs/dbraw/zinc/37/97/48/195379748.db2.gz RPYOKPGYUQDUHI-LBPRGKRZSA-N 0 1 266.410 2.894 20 30 CFEDMN CC#CCCN1CCN(c2ccccc2F)C[C@@H]1C ZINC000682780559 542591235 /nfs/dbraw/zinc/59/12/35/542591235.db2.gz RQSGFODPZGPELX-AWEZNQCLSA-N 0 1 260.356 2.750 20 30 CFEDMN CC[C@H](C)CN1CCO[C@@H](c2cccc(C#N)c2)C1 ZINC000341805937 130068373 /nfs/dbraw/zinc/06/83/73/130068373.db2.gz CUWKQMIVQRZNFS-XJKSGUPXSA-N 0 1 258.365 2.978 20 30 CFEDMN Cc1cnn(CCN[C@H](C)c2ccc(C#N)cc2F)c1 ZINC000341898690 130140658 /nfs/dbraw/zinc/14/06/58/130140658.db2.gz FEHOWZQPDQWOSQ-GFCCVEGCSA-N 0 1 272.327 2.553 20 30 CFEDMN COCC#CCN1CC[C@H](C(F)(F)F)C(C)(C)C1 ZINC000683036110 542632941 /nfs/dbraw/zinc/63/29/41/542632941.db2.gz DIVJMTBIDUNMSF-NSHDSACASA-N 0 1 263.303 2.547 20 30 CFEDMN C=CCCC(=O)NC[C@@H](c1ccc(F)cc1)N(C)C ZINC000263822466 131339592 /nfs/dbraw/zinc/33/95/92/131339592.db2.gz QMUKBMQTUPNYPH-AWEZNQCLSA-N 0 1 264.344 2.511 20 30 CFEDMN C=CCCC(=O)N1CCCN(Cc2ccc(C#N)cc2)CC1 ZINC000263953831 131368573 /nfs/dbraw/zinc/36/85/73/131368573.db2.gz BSLGPAUJEYGIFH-UHFFFAOYSA-N 0 1 297.402 2.559 20 30 CFEDMN C=CC1CCN(C(=O)C2(N(C)C)Cc3ccccc3C2)CC1 ZINC000372675604 393454318 /nfs/dbraw/zinc/45/43/18/393454318.db2.gz QINFSNFIRXMTCF-UHFFFAOYSA-N 0 1 298.430 2.510 20 30 CFEDMN Cc1nc([C@@H](C)NC(=O)N[C@@H]2C[C@H]2C2CCCCC2)n[nH]1 ZINC000329522289 393540725 /nfs/dbraw/zinc/54/07/25/393540725.db2.gz RBZIMZRYPBGNHL-JIMOISOXSA-N 0 1 291.399 2.647 20 30 CFEDMN C=C(C)CN(C)C(=O)NC[C@@H](c1ccc(F)cc1)N(C)C ZINC000181147474 393491446 /nfs/dbraw/zinc/49/14/46/393491446.db2.gz FRDMLUCFMOAVNS-HNNXBMFYSA-N 0 1 293.386 2.646 20 30 CFEDMN C=C(C)CN(C)[C@@H](C)C(=O)NC12CC3CC(CC(C3)C1)C2 ZINC000181298163 393493517 /nfs/dbraw/zinc/49/35/17/393493517.db2.gz JOYBYYDPWAIWQN-IILDEKEXSA-N 0 1 290.451 2.968 20 30 CFEDMN C=C(C)CN(CC)[C@H](C)C(=O)NCCc1ccc(F)cc1 ZINC000302744739 393494161 /nfs/dbraw/zinc/49/41/61/393494161.db2.gz OPNVTDYMRKQQNU-CQSZACIVSA-N 0 1 292.398 2.771 20 30 CFEDMN N#Cc1cc(CN2CCCO[C@H]3CCC[C@H]32)ccc1F ZINC000374547162 393498676 /nfs/dbraw/zinc/49/86/76/393498676.db2.gz DMJUEVMGDPMZMP-CVEARBPZSA-N 0 1 274.339 2.841 20 30 CFEDMN COC[C@@H]1CCCCN1Cc1ccc(C#N)cc1F ZINC000307772310 393514677 /nfs/dbraw/zinc/51/46/77/393514677.db2.gz VLIOKNDPNGNEDS-AWEZNQCLSA-N 0 1 262.328 2.698 20 30 CFEDMN C[C@@H]1CCCC[C@@H]1CNC(=O)N[C@H]1CCc2nc[nH]c2C1 ZINC000329637895 393545348 /nfs/dbraw/zinc/54/53/48/393545348.db2.gz YUEBXYICSFTYGT-UPJWGTAASA-N 0 1 290.411 2.597 20 30 CFEDMN CCC[C@H](C)NC(=O)[C@@H](C)N[C@@H](C)c1ccc(C#N)cc1 ZINC000037502322 393532008 /nfs/dbraw/zinc/53/20/08/393532008.db2.gz JQUZNXNTIWXDPK-MELADBBJSA-N 0 1 287.407 2.902 20 30 CFEDMN C[C@@H]1CN(C(=O)N[C@H]2CCc3nc[nH]c3C2)CC(C)(C)C1 ZINC000329709980 393547795 /nfs/dbraw/zinc/54/77/95/393547795.db2.gz LXUUQLUVNLRXNE-RYUDHWBXSA-N 0 1 290.411 2.549 20 30 CFEDMN C[C@@H](CC#N)NC(=O)c1cn[nH]c1-c1ccc(Cl)s1 ZINC000188802948 393567989 /nfs/dbraw/zinc/56/79/89/393567989.db2.gz JVZYHARCTBZHKG-ZETCQYMHSA-N 0 1 294.767 2.824 20 30 CFEDMN COc1cc(NC(=O)c2ccc(C#N)c(O)c2)cc(OC)c1 ZINC000188214830 393562531 /nfs/dbraw/zinc/56/25/31/393562531.db2.gz XPEVWXIDISFHOU-UHFFFAOYSA-N 0 1 298.298 2.533 20 30 CFEDMN COCC(C)(C)NCc1cc(C#N)ccc1Br ZINC000191782228 393607254 /nfs/dbraw/zinc/60/72/54/393607254.db2.gz XIMVHCDIAPHWHU-UHFFFAOYSA-N 0 1 297.196 2.835 20 30 CFEDMN CN1CCC[C@H]1C(=O)NC1(C#N)CCC(C(C)(C)C)CC1 ZINC000408282184 393625791 /nfs/dbraw/zinc/62/57/91/393625791.db2.gz ZCVFIKVUEMCZTK-UUCFBXCCSA-N 0 1 291.439 2.695 20 30 CFEDMN CC[C@H](CC(F)F)C(=O)N=c1[nH]n(C(C)(C)C)cc1C#N ZINC000410542787 393629476 /nfs/dbraw/zinc/62/94/76/393629476.db2.gz WAMUOPRJCWZCCQ-SECBINFHSA-N 0 1 298.337 2.552 20 30 CFEDMN Cc1ccccc1CN(C)Cc1ccnc(C#N)c1 ZINC000068765938 393635181 /nfs/dbraw/zinc/63/51/81/393635181.db2.gz RXXVLEYVRIZZIZ-UHFFFAOYSA-N 0 1 251.333 2.894 20 30 CFEDMN C[C@H](N[C@H]1CCc2ccc(C#N)cc21)C(=O)N1CCCCC1 ZINC000335184540 393650902 /nfs/dbraw/zinc/65/09/02/393650902.db2.gz BLHAAHYKISRBKH-GUYCJALGSA-N 0 1 297.402 2.536 20 30 CFEDMN N#Cc1cccc(NC(=O)c2cccc3nc[nH]c32)c1 ZINC000074732512 393662693 /nfs/dbraw/zinc/66/26/93/393662693.db2.gz NZMNISZDQYHRLD-UHFFFAOYSA-N 0 1 262.272 2.687 20 30 CFEDMN C[C@@H]1CC[C@H](O)[C@H]([C@@H]2CCCCN2CCC#N)C1 ZINC000411658260 393735692 /nfs/dbraw/zinc/73/56/92/393735692.db2.gz BMKMYQKVPDDIAS-QPSCCSFWSA-N 0 1 250.386 2.552 20 30 CFEDMN C[C@H](CCC#N)N[C@@H](CO)c1cccc(Cl)c1F ZINC000411680659 393738534 /nfs/dbraw/zinc/73/85/34/393738534.db2.gz YATWDJYWENLSNO-SKDRFNHKSA-N 0 1 270.735 2.794 20 30 CFEDMN C=C(C)CN(Cc1ccc(CO)o1)[C@@H](C)CCC#N ZINC000411714906 393741456 /nfs/dbraw/zinc/74/14/56/393741456.db2.gz AGAWEHRRTVXYPW-ZDUSSCGKSA-N 0 1 262.353 2.842 20 30 CFEDMN COc1ccc(CN2C[C@H](C)S[C@@H](C)C2)cc1C#N ZINC000087833432 393760735 /nfs/dbraw/zinc/76/07/35/393760735.db2.gz QUWMNVZRRVAVJL-RYUDHWBXSA-N 0 1 276.405 2.893 20 30 CFEDMN C=CCCC[C@@H](C)NC(=O)c1ccc2cncn2c1 ZINC000340005309 393834672 /nfs/dbraw/zinc/83/46/72/393834672.db2.gz VLHHIJDTMMNAPP-GFCCVEGCSA-N 0 1 257.337 2.809 20 30 CFEDMN Cc1csc(C(C#N)C(=O)c2cncnc2C(C)C)n1 ZINC000338191558 393776518 /nfs/dbraw/zinc/77/65/18/393776518.db2.gz SVTUMORABXMSAU-JTQLQIEISA-N 0 1 286.360 2.855 20 30 CFEDMN C=CCN(CC=C)C(=O)c1cccc2[nH]c(C)nc21 ZINC000338507257 393789041 /nfs/dbraw/zinc/78/90/41/393789041.db2.gz QTASFNVRZLPUDP-UHFFFAOYSA-N 0 1 255.321 2.686 20 30 CFEDMN C[C@@H](CC#N)[N@H+](C)Cc1cc(Cl)cc([N+](=O)[O-])c1[O-] ZINC000093090628 393794937 /nfs/dbraw/zinc/79/49/37/393794937.db2.gz IJTAPCCPVXRDRN-QMMMGPOBSA-N 0 1 283.715 2.688 20 30 CFEDMN C[C@@H](CC#N)[N@@H+](C)Cc1cc(Cl)cc([N+](=O)[O-])c1[O-] ZINC000093090628 393794940 /nfs/dbraw/zinc/79/49/40/393794940.db2.gz IJTAPCCPVXRDRN-QMMMGPOBSA-N 0 1 283.715 2.688 20 30 CFEDMN C=CCN(C)Cc1c(C)nn(-c2ccccn2)c1C ZINC000338932823 393806203 /nfs/dbraw/zinc/80/62/03/393806203.db2.gz DLPRWAZGVHWSEU-UHFFFAOYSA-N 0 1 256.353 2.502 20 30 CFEDMN C=CCOCCN1CC(c2nc3ccccc3s2)C1 ZINC000339055530 393814116 /nfs/dbraw/zinc/81/41/16/393814116.db2.gz DXDQOPCPLJKKET-UHFFFAOYSA-N 0 1 274.389 2.898 20 30 CFEDMN N#Cc1ccc(CCc2nc(C3(N)CCCCC3)no2)cc1 ZINC000424346945 393838299 /nfs/dbraw/zinc/83/82/99/393838299.db2.gz QKHULCMPJAJKMO-UHFFFAOYSA-N 0 1 296.374 2.845 20 30 CFEDMN C=CCCCC(=O)NCc1ccc(CN(C)C)c(F)c1 ZINC000342817698 393871015 /nfs/dbraw/zinc/87/10/15/393871015.db2.gz FWGSZWDDHULRNE-UHFFFAOYSA-N 0 1 278.371 2.860 20 30 CFEDMN CC(C)(C#N)CCN1CCCN(C(=O)c2ccccc2)CC1 ZINC000345712102 393914133 /nfs/dbraw/zinc/91/41/33/393914133.db2.gz OBWOFCRHXNWEHP-UHFFFAOYSA-N 0 1 299.418 2.774 20 30 CFEDMN C[C@H](C(=O)NC1(C#N)CCC1)N1CCC(C(C)(C)C)CC1 ZINC000346240148 393924488 /nfs/dbraw/zinc/92/44/88/393924488.db2.gz GSWXVSVYSKQNHL-CYBMUJFWSA-N 0 1 291.439 2.695 20 30 CFEDMN N#Cc1ccnc(N2CCC(c3ccn[nH]3)CC2)c1Cl ZINC000429205904 393944577 /nfs/dbraw/zinc/94/45/77/393944577.db2.gz SUTUPOBNZHFKRE-UHFFFAOYSA-N 0 1 287.754 2.714 20 30 CFEDMN C=C(C)C[N@H+](CC)[C@@H]1CCN(c2ccc(C#N)cc2)C1=O ZINC000126070184 394019896 /nfs/dbraw/zinc/01/98/96/394019896.db2.gz DCTHAAZASROOCK-MRXNPFEDSA-N 0 1 283.375 2.562 20 30 CFEDMN C=C(C)CN(CC)[C@@H]1CCN(c2ccc(C#N)cc2)C1=O ZINC000126070184 394019899 /nfs/dbraw/zinc/01/98/99/394019899.db2.gz DCTHAAZASROOCK-MRXNPFEDSA-N 0 1 283.375 2.562 20 30 CFEDMN Cc1ccc(C#N)cc1NC(=O)c1c(O)cccc1F ZINC000121634852 393957701 /nfs/dbraw/zinc/95/77/01/393957701.db2.gz LCNRQCKGZUMQEB-UHFFFAOYSA-N 0 1 270.263 2.964 20 30 CFEDMN C[C@@H]1CC[C@H](C)N1Cc1nnc(-c2ccc(C#N)cc2)o1 ZINC000123098320 393976095 /nfs/dbraw/zinc/97/60/95/393976095.db2.gz FILFYKFIRIYEEQ-TXEJJXNPSA-N 0 1 282.347 2.981 20 30 CFEDMN N#CCCN(C(=O)CN1CCC2(CCC2)C1)c1ccccc1 ZINC000123349452 393978963 /nfs/dbraw/zinc/97/89/63/393978963.db2.gz ANNSZIVCSAMPBD-UHFFFAOYSA-N 0 1 297.402 2.809 20 30 CFEDMN C=CCN(CCc1ccco1)C(=O)c1cnc(C2CC2)[nH]1 ZINC000353112524 394024767 /nfs/dbraw/zinc/02/47/67/394024767.db2.gz OVFLAQVECFOUBU-UHFFFAOYSA-N 0 1 285.347 2.751 20 30 CFEDMN COc1cccc(CN(C)Cc2cc(C#N)n(C)c2)c1 ZINC000276746759 394052515 /nfs/dbraw/zinc/05/25/15/394052515.db2.gz KCPKHLCBTDMRTO-UHFFFAOYSA-N 0 1 269.348 2.537 20 30 CFEDMN CC(C)c1[nH]ncc1C(=O)N1CCc2ccc(C#N)cc21 ZINC000278050518 394059120 /nfs/dbraw/zinc/05/91/20/394059120.db2.gz LYMKIGOTJLSCAR-UHFFFAOYSA-N 0 1 280.331 2.608 20 30 CFEDMN Cn1cc(CNc2nccn2-c2ccccc2)cc1C#N ZINC000438925792 394087820 /nfs/dbraw/zinc/08/78/20/394087820.db2.gz BALHKIVPYQZMGX-UHFFFAOYSA-N 0 1 277.331 2.695 20 30 CFEDMN Cc1cc(CN2CCC[C@H]2[C@H](O)C(F)(F)F)ccc1C#N ZINC000487903913 394029176 /nfs/dbraw/zinc/02/91/76/394029176.db2.gz CJPOZCWZUGXZLA-KBPBESRZSA-N 0 1 298.308 2.754 20 30 CFEDMN C=CCNCc1c[nH]c(=NC(=O)OC(C)(C)C)s1 ZINC000282078299 394119994 /nfs/dbraw/zinc/11/99/94/394119994.db2.gz QZVUAZHUXYVIQM-UHFFFAOYSA-N 0 1 269.370 2.766 20 30 CFEDMN CC(C)[N@H+]1CCC[C@@H](NC(=O)/C=C\c2cccc(C#N)c2)C1 ZINC000493025437 394128567 /nfs/dbraw/zinc/12/85/67/394128567.db2.gz OXROXPTZFVRXND-XZVRFQMRSA-N 0 1 297.402 2.560 20 30 CFEDMN CCN1C[C@@H](C)N(C(=O)/C=C\c2cccc(C#N)c2)[C@@H](C)C1 ZINC000493086851 394143712 /nfs/dbraw/zinc/14/37/12/394143712.db2.gz FMFCRSXMFWODFB-VMZPBXKQSA-N 0 1 297.402 2.513 20 30 CFEDMN CC(C)(C)c1nc(CN2CCc3c2cccc3C#N)n[nH]1 ZINC000420973678 394145856 /nfs/dbraw/zinc/14/58/56/394145856.db2.gz NCUCJHDFOVVMIN-UHFFFAOYSA-N 0 1 281.363 2.537 20 30 CFEDMN C=CC[C@@H]1N(C(=O)NCc2cn[nH]c2C)CCCC1(C)C ZINC000445269432 394147495 /nfs/dbraw/zinc/14/74/95/394147495.db2.gz ZXJXECIDAHJQFA-AWEZNQCLSA-N 0 1 290.411 2.994 20 30 CFEDMN C=CCCCNC(=O)NCc1ccc(CN(C)C)c(F)c1 ZINC000448015978 394153816 /nfs/dbraw/zinc/15/38/16/394153816.db2.gz WJSUTFDZBOKXLZ-UHFFFAOYSA-N 0 1 293.386 2.653 20 30 CFEDMN COC(=O)c1ccc(Cl)c(CNCCCC#N)c1 ZINC000361024287 394162908 /nfs/dbraw/zinc/16/29/08/394162908.db2.gz VXNJFIZASJORAU-UHFFFAOYSA-N 0 1 266.728 2.520 20 30 CFEDMN CN(C(=O)c1cc(F)ccc1O)c1cccc(C#N)c1 ZINC000132841548 394164697 /nfs/dbraw/zinc/16/46/97/394164697.db2.gz HNYKWCQQMJNGNO-UHFFFAOYSA-N 0 1 270.263 2.680 20 30 CFEDMN C=CC1CCN(Cc2cn(C)nc2C(F)F)CC1 ZINC000361182062 394167713 /nfs/dbraw/zinc/16/77/13/394167713.db2.gz VOSQDWVILGAGHL-UHFFFAOYSA-N 0 1 255.312 2.756 20 30 CFEDMN C[C@@H]1CN(Cc2ccccc2)CCN1c1cc(C#N)ccn1 ZINC000287256203 394203550 /nfs/dbraw/zinc/20/35/50/394203550.db2.gz JYZBOKNAFOEYGH-OAHLLOKOSA-N 0 1 292.386 2.664 20 30 CFEDMN COc1ccc(CNCCCC#N)c(Br)c1 ZINC000286086667 394190400 /nfs/dbraw/zinc/19/04/00/394190400.db2.gz SRJUQTGGTMXOCZ-UHFFFAOYSA-N 0 1 283.169 2.851 20 30 CFEDMN CC(C)n1cc(CNCc2ccc(C#N)s2)cn1 ZINC000421347910 394194019 /nfs/dbraw/zinc/19/40/19/394194019.db2.gz GGDNZYNAJZKFRV-UHFFFAOYSA-N 0 1 260.366 2.687 20 30 CFEDMN CC(C)(C)CN(CCC#N)C(=O)[C@H]1CCCc2c[nH]nc21 ZINC000372217579 394308125 /nfs/dbraw/zinc/30/81/25/394308125.db2.gz LYGWWEPZRYLYQT-ZDUSSCGKSA-N 0 1 288.395 2.618 20 30 CFEDMN CC[C@@H](CC#N)NC(=O)c1c[nH]c2c(C)cccc2c1=O ZINC000166996049 394369893 /nfs/dbraw/zinc/36/98/93/394369893.db2.gz SMCMFWGMQMAHFJ-NSHDSACASA-N 0 1 283.331 2.671 20 30 CFEDMN C=C(CC)CN1C[C@H](c2ccccc2)[C@](F)(CO)C1 ZINC000451282606 394372977 /nfs/dbraw/zinc/37/29/77/394372977.db2.gz LVFDNCCKSSMUQY-HZPDHXFCSA-N 0 1 263.356 2.753 20 30 CFEDMN C=C(CC)CN1C[C@H](c2ccccc2)[C@@](F)(CO)C1 ZINC000451282598 394373020 /nfs/dbraw/zinc/37/30/20/394373020.db2.gz LVFDNCCKSSMUQY-CVEARBPZSA-N 0 1 263.356 2.753 20 30 CFEDMN COc1cc(CN(C)Cc2cccc(O)c2)ccc1C#N ZINC000520955879 394380959 /nfs/dbraw/zinc/38/09/59/394380959.db2.gz JMVYIFMBAHUYDS-UHFFFAOYSA-N 0 1 282.343 2.904 20 30 CFEDMN C=CCN1CC[C@H](NC2(c3ccc(F)cc3)CCC2)C1=O ZINC000685002749 542886327 /nfs/dbraw/zinc/88/63/27/542886327.db2.gz JUUCKHWNADUJSX-HNNXBMFYSA-N 0 1 288.366 2.581 20 30 CFEDMN C[C@H](NCCOC[C@@H]1CCCO1)c1ccc(C#N)cc1F ZINC000543762838 394742763 /nfs/dbraw/zinc/74/27/63/394742763.db2.gz ORPCOCTVURHCFL-JSGCOSHPSA-N 0 1 292.354 2.544 20 30 CFEDMN COc1ccc(C(=O)C(C#N)c2nc(C3CC3)cs2)cn1 ZINC000647373337 395317571 /nfs/dbraw/zinc/31/75/71/395317571.db2.gz GJZYIGGTQCGULK-NSHDSACASA-N 0 1 299.355 2.914 20 30 CFEDMN CC(C)O[C@H]1CCCN(CC#Cc2ccccc2)C1 ZINC000649702505 395555105 /nfs/dbraw/zinc/55/51/05/395555105.db2.gz FVUICCCYVYQGPH-KRWDZBQOSA-N 0 1 257.377 2.928 20 30 CFEDMN C=CCN(CC)[C@H]1CCCN(Cc2ccccc2)C1=O ZINC000372357309 397536325 /nfs/dbraw/zinc/53/63/25/397536325.db2.gz OKQNVKAOQVNZNU-INIZCTEOSA-N 0 1 272.392 2.686 20 30 CFEDMN C=CCOc1ccccc1C[N@@H+](CC(=O)[O-])CC1CC1 ZINC000650795949 413168547 /nfs/dbraw/zinc/16/85/47/413168547.db2.gz HQXQMBWKBZQHTN-UHFFFAOYSA-N 0 1 275.348 2.548 20 30 CFEDMN C[C@H](C#N)CN(CCCOCC(F)(F)F)C1CC1 ZINC000338376953 397650631 /nfs/dbraw/zinc/65/06/31/397650631.db2.gz MJHWYNOBMNSNQQ-SNVBAGLBSA-N 0 1 264.291 2.579 20 30 CFEDMN C=CCOc1ccccc1C[N@H+](C)[C@@H](CC)C(=O)[O-] ZINC000650808397 413187284 /nfs/dbraw/zinc/18/72/84/413187284.db2.gz YXVWKESNOXNCAH-ZDUSSCGKSA-N 0 1 263.337 2.546 20 30 CFEDMN C=CCCC[N@@H+]1CC[C@H](C(=O)[O-])[C@H]2CCCC[C@H]21 ZINC000656766440 413196480 /nfs/dbraw/zinc/19/64/80/413196480.db2.gz RVJHKUVFIGVTGG-HZSPNIEDSA-N 0 1 251.370 2.918 20 30 CFEDMN C[C@H]1CN(C)CCN1Cc1ccc(C#N)cc1C(F)(F)F ZINC000356219231 155185967 /nfs/dbraw/zinc/18/59/67/155185967.db2.gz GNGUQUXGQURSRE-NSHDSACASA-N 0 1 297.324 2.713 20 30 CFEDMN C[C@H](O)[C@H]1CCN(Cc2ccc(C#N)cc2C(F)(F)F)C1 ZINC000356436370 155266351 /nfs/dbraw/zinc/26/63/51/155266351.db2.gz YHFTVZMVDQJRRY-JQWIXIFHSA-N 0 1 298.308 2.780 20 30 CFEDMN CC[C@@]1(O)CCN(Cc2ccc(C#N)cc2C(F)(F)F)C1 ZINC000356443065 155267286 /nfs/dbraw/zinc/26/72/86/155267286.db2.gz VLISSTQCHACLMW-CQSZACIVSA-N 0 1 298.308 2.924 20 30 CFEDMN COc1cc(C#N)ccc1CN1CCCO[C@H]2CCC[C@H]21 ZINC000367255967 286191904 /nfs/dbraw/zinc/19/19/04/286191904.db2.gz QXKDRJVECDZCRZ-CVEARBPZSA-N 0 1 286.375 2.710 20 30 CFEDMN CN(Cc1cc(C(C)(C)C)[nH]n1)c1cc(C#N)ccn1 ZINC000343049452 154096506 /nfs/dbraw/zinc/09/65/06/154096506.db2.gz AANALMFXSNZGBM-UHFFFAOYSA-N 0 1 269.352 2.610 20 30 CFEDMN C[C@@H](NCCOC(F)(F)F)c1ccc(C#N)cc1F ZINC000348029020 154292067 /nfs/dbraw/zinc/29/20/67/154292067.db2.gz HHNCDVFLUNJHGN-MRVPVSSYSA-N 0 1 276.233 2.884 20 30 CFEDMN CC1(C2CC2)CCN([C@@H](C(N)=O)c2ccc(C#N)cc2)CC1 ZINC000352187068 154493846 /nfs/dbraw/zinc/49/38/46/154493846.db2.gz BQSDZUHPVDBWAY-MRXNPFEDSA-N 0 1 297.402 2.597 20 30 CFEDMN CCCNC(=O)CN(CCC)Cc1ccc(C#N)c(C)c1 ZINC000362959447 156126604 /nfs/dbraw/zinc/12/66/04/156126604.db2.gz ZHMFZNLXCLWOKI-UHFFFAOYSA-N 0 1 287.407 2.605 20 30 CFEDMN COc1cc(CN2CCOCC3(CCC3)C2)ccc1C#N ZINC000367024208 156267490 /nfs/dbraw/zinc/26/74/90/156267490.db2.gz OZYMZBCOTOEESB-UHFFFAOYSA-N 0 1 286.375 2.569 20 30 CFEDMN N#Cc1cc(F)ccc1CN1CC[C@@]2(C1)CCCOC2 ZINC000367073725 156277542 /nfs/dbraw/zinc/27/75/42/156277542.db2.gz MDHQOALKVYTHDP-MRXNPFEDSA-N 0 1 274.339 2.700 20 30 CFEDMN Cc1nc(C2CC[NH+](Cc3ccc(C#N)c(F)c3)CC2)n[nH]1 ZINC000373818253 157035211 /nfs/dbraw/zinc/03/52/11/157035211.db2.gz JPLGKYOBRSDGEP-UHFFFAOYSA-N 0 1 299.353 2.504 20 30 CFEDMN N#Cc1ccc(CN2CCC(c3cn[nH]c3)CC2)s1 ZINC000374311776 157097494 /nfs/dbraw/zinc/09/74/94/157097494.db2.gz SYOQFLCDLUEKMG-UHFFFAOYSA-N 0 1 272.377 2.722 20 30 CFEDMN Cc1nc([C@H]2CCCN(Cc3ccc(C#N)cc3)C2)no1 ZINC000375765182 157281788 /nfs/dbraw/zinc/28/17/88/157281788.db2.gz PKDZGVMUAOGVQP-HNNXBMFYSA-N 0 1 282.347 2.629 20 30 CFEDMN C[C@@H]1CCCc2[nH+]cc(C([O-])=C(C#N)c3ccccn3)n21 ZINC000651263355 413385900 /nfs/dbraw/zinc/38/59/00/413385900.db2.gz LMAPSJAEBYLQJD-NEPJUHHUSA-N 0 1 280.331 2.665 20 30 CFEDMN C=CCCn1cc(CN(C)C[C@H]2CC=CCC2)nn1 ZINC000653613140 413406012 /nfs/dbraw/zinc/40/60/12/413406012.db2.gz WZSWVVZKPKCCRA-AWEZNQCLSA-N 0 1 260.385 2.642 20 30 CFEDMN C=CCCn1cc(CN(C)[C@H]2CCCC[C@@H]2C)nn1 ZINC000653632345 413416485 /nfs/dbraw/zinc/41/64/85/413416485.db2.gz QDOLVHRXDIVFBC-ZFWWWQNUSA-N 0 1 262.401 2.865 20 30 CFEDMN C=CCCc1noc([C@@H]2CCCN(Cc3cccnc3)C2)n1 ZINC000651357528 413420936 /nfs/dbraw/zinc/42/09/36/413420936.db2.gz GWKFCFAODHTDJK-OAHLLOKOSA-N 0 1 298.390 2.963 20 30 CFEDMN N#Cc1ccc(CN[C@@H](CO)c2cccc(F)c2)cc1 ZINC000344319469 162009264 /nfs/dbraw/zinc/00/92/64/162009264.db2.gz QQRJWYKSCNBLDL-INIZCTEOSA-N 0 1 270.307 2.521 20 30 CFEDMN CC(C)(CO)[C@H](NCC#Cc1ccccc1)c1cccnc1 ZINC000660640465 413452079 /nfs/dbraw/zinc/45/20/79/413452079.db2.gz XGDDKJROAJYEKW-GOSISDBHSA-N 0 1 294.398 2.783 20 30 CFEDMN Cn1cc(CNc2nccn2Cc2ccccc2)cc1C#N ZINC000351570718 163148427 /nfs/dbraw/zinc/14/84/27/163148427.db2.gz ORMRRKWUHGZRTC-UHFFFAOYSA-N 0 1 291.358 2.754 20 30 CFEDMN C[C@@H](CNCc1nc(C#N)cs1)N1CCc2ccccc21 ZINC000352831029 163245500 /nfs/dbraw/zinc/24/55/00/163245500.db2.gz BQPQYJSUDDBWKK-LBPRGKRZSA-N 0 1 298.415 2.556 20 30 CFEDMN CN(CCCNCc1nc(C#N)cs1)c1ccccc1 ZINC000352836599 163246891 /nfs/dbraw/zinc/24/68/91/163246891.db2.gz VHHXCUDNQQYDHC-UHFFFAOYSA-N 0 1 286.404 2.631 20 30 CFEDMN C[C@H](CNCc1nc(C#N)cs1)Oc1ccc(F)cc1 ZINC000352835841 163247485 /nfs/dbraw/zinc/24/74/85/163247485.db2.gz JDFQYFNNXRCAGF-SNVBAGLBSA-N 0 1 291.351 2.711 20 30 CFEDMN CCC1(CC)[C@H](NCc2nc(C#N)cs2)[C@H](C)[C@H]1OC ZINC000352833841 163248137 /nfs/dbraw/zinc/24/81/37/163248137.db2.gz IDRJRIWSLICRIY-ZLKJLUDKSA-N 0 1 293.436 2.944 20 30 CFEDMN COc1cccc(C[C@H](C)NCc2nc(C#N)cs2)c1 ZINC000352836402 163248209 /nfs/dbraw/zinc/24/82/09/163248209.db2.gz SZWKMLSWJHTLPQ-NSHDSACASA-N 0 1 287.388 2.744 20 30 CFEDMN N#Cc1csc(CNCCc2cccc3[nH]ccc32)n1 ZINC000352863833 163256053 /nfs/dbraw/zinc/25/60/53/163256053.db2.gz WWKUJOXOMOVNBV-UHFFFAOYSA-N 0 1 282.372 2.828 20 30 CFEDMN CC(C)C[C@@H]1OCCC[C@@H]1NCc1nc(C#N)cs1 ZINC000352945726 163275424 /nfs/dbraw/zinc/27/54/24/163275424.db2.gz PIAPCDSTJODEPS-STQMWFEESA-N 0 1 279.409 2.698 20 30 CFEDMN CCc1ccc(CNCc2ccc(C#N)c(OC)c2)cn1 ZINC000353229536 163322074 /nfs/dbraw/zinc/32/20/74/163322074.db2.gz QXJNPORUCWGGHE-UHFFFAOYSA-N 0 1 281.359 2.814 20 30 CFEDMN C[C@@H](C(=O)Nc1cccc(C#N)c1)N1CCC[C@H](C)C1 ZINC000007384174 170282099 /nfs/dbraw/zinc/28/20/99/170282099.db2.gz UZFVICQWFIDXFY-STQMWFEESA-N 0 1 271.364 2.617 20 30 CFEDMN C=CCOc1ccccc1CNCc1cnn2c1CCC2 ZINC000657357738 413492817 /nfs/dbraw/zinc/49/28/17/413492817.db2.gz QUUGRPWHRDQCDB-UHFFFAOYSA-N 0 1 283.375 2.684 20 30 CFEDMN C=CCn1c([C@]2(C)CCCO2)n[n-]c1=[NH+]c1ccccc1C ZINC000651513525 413508055 /nfs/dbraw/zinc/50/80/55/413508055.db2.gz TZDVJMLRGGTWRO-KRWDZBQOSA-N 0 1 298.390 2.964 20 30 CFEDMN C#CCCCN(C)Cc1nc(-c2cccs2)no1 ZINC000285159759 196210054 /nfs/dbraw/zinc/21/00/54/196210054.db2.gz AMICNCBIKWMFFJ-UHFFFAOYSA-N 0 1 261.350 2.643 20 30 CFEDMN C[C@@H](NCc1ccc(C#N)cc1F)c1ccncc1 ZINC000035693453 172362090 /nfs/dbraw/zinc/36/20/90/172362090.db2.gz RDRSZRKBCWQBSH-LLVKDONJSA-N 0 1 255.296 2.943 20 30 CFEDMN C=CC[C@@H]1CC[C@H](N[C@H]2CS(=O)(=O)c3ccccc32)C1 ZINC000651738786 413601366 /nfs/dbraw/zinc/60/13/66/413601366.db2.gz YNYVGNUVWBWLSO-IPYPFGDCSA-N 0 1 291.416 2.849 20 30 CFEDMN C[C@H](O)CN(CC#Cc1cccc(Cl)c1)C1CC1 ZINC000653901927 413579084 /nfs/dbraw/zinc/57/90/84/413579084.db2.gz GRRARPYGJKBTMZ-LBPRGKRZSA-N 0 1 263.768 2.537 20 30 CFEDMN C=C[C@@H]1OCC[C@H]1NCc1ccc(F)c(F)c1F ZINC000657482440 413667144 /nfs/dbraw/zinc/66/71/44/413667144.db2.gz XCWCHJYZLRGJDG-MNOVXSKESA-N 0 1 257.255 2.537 20 30 CFEDMN C=CCN(Cc1ccc(Br)cn1)[C@H](C)COC ZINC000661240926 413841470 /nfs/dbraw/zinc/84/14/70/413841470.db2.gz TUXNGILKJXXOPV-LLVKDONJSA-N 0 1 299.212 2.867 20 30 CFEDMN C=CC[N@H+](CCc1ccc2c(c1)CCO2)[C@@H](C)COC ZINC000661241773 413844762 /nfs/dbraw/zinc/84/47/62/413844762.db2.gz BHQUEROMFSBULK-AWEZNQCLSA-N 0 1 275.392 2.687 20 30 CFEDMN C=CC[C@H]1CCCN([C@H](C(N)=O)c2ccc(F)cc2)C1 ZINC000661381593 413944532 /nfs/dbraw/zinc/94/45/32/413944532.db2.gz MWCSIZFEOJZXTJ-WFASDCNBSA-N 0 1 276.355 2.640 20 30 CFEDMN C=CCCCCC[N@@H+]1C[C@@H](C(=O)[O-])[C@H](C2CC2)C1 ZINC000652513579 413997359 /nfs/dbraw/zinc/99/73/59/413997359.db2.gz DNFARHIUGLOMGQ-UONOGXRCSA-N 0 1 251.370 2.775 20 30 CFEDMN C=CCNC(=O)[C@@H](C)N[C@H](c1ccccc1F)C(C)C ZINC000661484481 413999467 /nfs/dbraw/zinc/99/94/67/413999467.db2.gz HLSJESZSVSXBAJ-DOMZBBRYSA-N 0 1 278.371 2.803 20 30 CFEDMN CC(=O)c1ccc(O)c(NC(=O)CCCCC#N)c1 ZINC000654985118 414049577 /nfs/dbraw/zinc/04/95/77/414049577.db2.gz WYGVUMWHJUWTON-UHFFFAOYSA-N 0 1 260.293 2.617 20 30 CFEDMN CN(Cc1ccc(C#N)cc1F)[C@@H]1CCSC1 ZINC000037174879 173009434 /nfs/dbraw/zinc/00/94/34/173009434.db2.gz YALHWTWMBYFXDR-GFCCVEGCSA-N 0 1 250.342 2.635 20 30 CFEDMN C=CCN(Cc1nc(N)c2ccccc2n1)C(C)(C)C ZINC000661756421 414194830 /nfs/dbraw/zinc/19/48/30/414194830.db2.gz OJIDSPCIPDESFZ-UHFFFAOYSA-N 0 1 270.380 2.999 20 30 CFEDMN C=CCC1(NCc2nnc(OCC)s2)CCCC1 ZINC000661849461 414257263 /nfs/dbraw/zinc/25/72/63/414257263.db2.gz WARFKXFDJMNXGI-UHFFFAOYSA-N 0 1 267.398 2.915 20 30 CFEDMN C=CCN(CC=C)C(=O)CN(C)C[C@@H]1CCc2ccccc21 ZINC000662201203 414454068 /nfs/dbraw/zinc/45/40/68/414454068.db2.gz KJNXNFNUJZZWKQ-KRWDZBQOSA-N 0 1 298.430 2.849 20 30 CFEDMN C=CC[C@H]1CCCN(C(=O)NCCCc2cn[nH]c2C)C1 ZINC000656543409 414601832 /nfs/dbraw/zinc/60/18/32/414601832.db2.gz DDYVXBHLNTYNGI-AWEZNQCLSA-N 0 1 290.411 2.648 20 30 CFEDMN C=CCC[C@@H](O)C[N@H+]1[C@H](C(=O)[O-])CC[C@H]1c1ccccc1 ZINC000659794822 414557455 /nfs/dbraw/zinc/55/74/55/414557455.db2.gz XQUPXGGEQSCOLK-PMPSAXMXSA-N 0 1 289.375 2.604 20 30 CFEDMN C=CC[C@H]1CCCC[C@@H]1NC(=O)c1ccc(CN)o1 ZINC000662602994 414570365 /nfs/dbraw/zinc/57/03/65/414570365.db2.gz SZNOOMFMZZXPKA-AAEUAGOBSA-N 0 1 262.353 2.603 20 30 CFEDMN CCn1cc([C@H](C)NCc2ccc(C#N)cc2)cn1 ZINC000044499020 175184539 /nfs/dbraw/zinc/18/45/39/175184539.db2.gz QUTFDAVNTLLWCQ-LBPRGKRZSA-N 0 1 254.337 2.625 20 30 CFEDMN C[C@H](CO)N(C[C@@H](C)c1ccccc1)CC1(C#N)CC1 ZINC000347467039 226164239 /nfs/dbraw/zinc/16/42/39/226164239.db2.gz ZWKNCWDUGBJHDH-HUUCEWRRSA-N 0 1 272.392 2.777 20 30 CFEDMN C[C@@H](CN(CC1(C#N)CC1)[C@H](C)CO)c1ccccc1 ZINC000347467041 226164446 /nfs/dbraw/zinc/16/44/46/226164446.db2.gz ZWKNCWDUGBJHDH-LSDHHAIUSA-N 0 1 272.392 2.777 20 30 CFEDMN N#CCCC[C@@H](NCc1ncc[nH]1)c1ccccc1 ZINC000353915886 226395248 /nfs/dbraw/zinc/39/52/48/226395248.db2.gz NXOFLLQPGWFOPA-CQSZACIVSA-N 0 1 254.337 2.934 20 30 CFEDMN N#C[C@@H](C(=O)c1cc2c(s1)CCCC2)c1ccncn1 ZINC000354463592 227001240 /nfs/dbraw/zinc/00/12/40/227001240.db2.gz IWCUPJBEJXVAIP-LLVKDONJSA-N 0 1 283.356 2.907 20 30 CFEDMN N#CC(C(=O)c1cc2c(s1)CCCC2)c1ccncn1 ZINC000354463592 227001245 /nfs/dbraw/zinc/00/12/45/227001245.db2.gz IWCUPJBEJXVAIP-LLVKDONJSA-N 0 1 283.356 2.907 20 30 CFEDMN Cc1nc(CCNC(=O)[C@H]2CCCc3[nH]ncc32)c(C)o1 ZINC000329049610 227274186 /nfs/dbraw/zinc/27/41/86/227274186.db2.gz WBBCJBMVTYZOED-NSHDSACASA-N 0 1 288.351 2.634 20 30 CFEDMN O=C(NCCc1nc[nH]n1)[C@@H]1CCC[C@@H]2CCCC[C@H]12 ZINC000329183084 227342959 /nfs/dbraw/zinc/34/29/59/227342959.db2.gz OSMLCUQUABKSMD-RWMBFGLXSA-N 0 1 276.384 2.910 20 30 CFEDMN N#CC1(CN2CCC[C@H]2c2n[nH]c(-c3ccccc3)n2)CC1 ZINC000329212298 227353230 /nfs/dbraw/zinc/35/32/30/227353230.db2.gz HTBPDOLQWBNZIC-AWEZNQCLSA-N 0 1 293.374 2.912 20 30 CFEDMN N#CC1(CN2CCC[C@H]2c2nc(-c3ccccc3)n[nH]2)CC1 ZINC000329212298 227353234 /nfs/dbraw/zinc/35/32/34/227353234.db2.gz HTBPDOLQWBNZIC-AWEZNQCLSA-N 0 1 293.374 2.912 20 30 CFEDMN O=C(N[C@@H](CO)c1ccsc1)[C@H]1CCCc2[nH]ncc21 ZINC000329999467 228011558 /nfs/dbraw/zinc/01/15/58/228011558.db2.gz UUUUKAQEUVMWLF-GWCFXTLKSA-N 0 1 291.376 2.581 20 30 CFEDMN O=C(N[C@H]1CCCc2cn[nH]c21)N(CC1CC1)CC1CC1 ZINC000330144838 228049061 /nfs/dbraw/zinc/04/90/61/228049061.db2.gz RYECFOOEDAUSFQ-AWEZNQCLSA-N 0 1 288.395 2.823 20 30 CFEDMN O=C(Cn1cc2ccccc2n1)N[C@@H]1CCCc2cn[nH]c21 ZINC000330163247 228053812 /nfs/dbraw/zinc/05/38/12/228053812.db2.gz VASHQQRULOLRRT-CQSZACIVSA-N 0 1 295.346 2.794 20 30 CFEDMN C[C@H](C(=O)Nc1nc2cccnc2[n-]1)[N@H+]1[C@H](C)CC[C@@H]1C ZINC000330214392 228068456 /nfs/dbraw/zinc/06/84/56/228068456.db2.gz GDJDSHCQQXICIN-OUAUKWLOSA-N 0 1 287.367 2.807 20 30 CFEDMN C[C@H](C(=O)Nc1nc2cccnc2[n-]1)[N@@H+]1[C@H](C)CC[C@@H]1C ZINC000330214392 228068459 /nfs/dbraw/zinc/06/84/59/228068459.db2.gz GDJDSHCQQXICIN-OUAUKWLOSA-N 0 1 287.367 2.807 20 30 CFEDMN O=C(NCC1CCSCC1)c1csc(=NC2CC2)[nH]1 ZINC000330225866 228072252 /nfs/dbraw/zinc/07/22/52/228072252.db2.gz OKAUUPBTXDCUMJ-UHFFFAOYSA-N 0 1 297.449 2.587 20 30 CFEDMN O=C(Nc1cccc(-c2c[nH]nn2)c1)[C@H]1CCCN1C1CC1 ZINC000330262378 228084582 /nfs/dbraw/zinc/08/45/82/228084582.db2.gz UXLMVANNGSHQHL-OAHLLOKOSA-N 0 1 297.362 2.687 20 30 CFEDMN Cc1nc(C(C)(C)NC(=O)CCc2nc[nH]n2)sc1C ZINC000330318748 228140762 /nfs/dbraw/zinc/14/07/62/228140762.db2.gz QZBHHBNGGFHFJL-UHFFFAOYSA-N 0 1 293.396 2.702 20 30 CFEDMN C=CC[C@H](C)NC(=O)NC[C@@H](c1ccco1)N1CCCC1 ZINC000116933180 260006958 /nfs/dbraw/zinc/00/69/58/260006958.db2.gz IXQWRCLGLLCVEE-KBPBESRZSA-N 0 1 291.395 2.680 20 30 CFEDMN C=CC[C@H](C)NC(=O)NC[C@@H](c1cccs1)N(C)C ZINC000116973691 260020172 /nfs/dbraw/zinc/02/01/72/260020172.db2.gz XSDUBKKIIKZPJI-RYUDHWBXSA-N 0 1 281.425 2.615 20 30 CFEDMN C=CC[C@@H](C)NC(=O)NC[C@@H](c1cccs1)N(C)C ZINC000116973692 260020839 /nfs/dbraw/zinc/02/08/39/260020839.db2.gz XSDUBKKIIKZPJI-NEPJUHHUSA-N 0 1 281.425 2.615 20 30 CFEDMN CCN(CCc1ccc2c(c1)CCO2)C[C@@H](C)C#N ZINC000088102326 260228277 /nfs/dbraw/zinc/22/82/77/260228277.db2.gz FVEHWWSZZKUXAV-ZDUSSCGKSA-N 0 1 258.365 2.646 20 30 CFEDMN N#CCN1CCC[C@@H](c2nc(C3CCCCC3)n[nH]2)C1 ZINC000408134284 260277292 /nfs/dbraw/zinc/27/72/92/260277292.db2.gz STOJHCYJHFKOKR-CYBMUJFWSA-N 0 1 273.384 2.555 20 30 CFEDMN N#CCN1CCC[C@@H](c2n[nH]c(C3CCCCC3)n2)C1 ZINC000408134284 260277294 /nfs/dbraw/zinc/27/72/94/260277294.db2.gz STOJHCYJHFKOKR-CYBMUJFWSA-N 0 1 273.384 2.555 20 30 CFEDMN C=CCCOCCNCc1ccc(Br)cn1 ZINC000229879766 261232393 /nfs/dbraw/zinc/23/23/93/261232393.db2.gz PNUIWGQLQLUQQF-UHFFFAOYSA-N 0 1 285.185 2.526 20 30 CFEDMN CC(C)(C)OC(=O)NC[C@H](NCCC#N)C1CCCCC1 ZINC000497210830 262107399 /nfs/dbraw/zinc/10/73/99/262107399.db2.gz UYUNKYONVHDMHU-AWEZNQCLSA-N 0 1 295.427 2.963 20 30 CFEDMN Cn1cc([C@@H]2CSCCN2CC(C)(C)CCC#N)cn1 ZINC000191752426 262194713 /nfs/dbraw/zinc/19/47/13/262194713.db2.gz ZUOYDNCUSDWEKB-AWEZNQCLSA-N 0 1 292.452 2.840 20 30 CFEDMN C=CC1CCN(CC(=O)N2CCC(c3ccccc3)=N2)CC1 ZINC000111260452 262258675 /nfs/dbraw/zinc/25/86/75/262258675.db2.gz HNFYXNGHQUJWAY-UHFFFAOYSA-N 0 1 297.402 2.521 20 30 CFEDMN C=CC1CCN([C@H]2CCN(c3ccccc3)C2=O)CC1 ZINC000111259927 262259026 /nfs/dbraw/zinc/25/90/26/262259026.db2.gz YPQAALXMOOKMRL-INIZCTEOSA-N 0 1 270.376 2.690 20 30 CFEDMN N#C[C@@H]1CCC[C@H](N[C@H](c2nnc[nH]2)c2ccccc2)C1 ZINC000365150917 262280938 /nfs/dbraw/zinc/28/09/38/262280938.db2.gz SQYYJWRNCPKHFC-SNPRPXQTSA-N 0 1 281.363 2.566 20 30 CFEDMN C=CCCCCCN(C)C(=O)[C@H](N)c1ccccc1 ZINC000160924395 262304456 /nfs/dbraw/zinc/30/44/56/262304456.db2.gz XFPGCNFANXNGJD-OAHLLOKOSA-N 0 1 260.381 2.891 20 30 CFEDMN C[C@H]1CN(CC#Cc2ccc(C(F)(F)F)cc2)CC[C@@H]1O ZINC000186897623 262327765 /nfs/dbraw/zinc/32/77/65/262327765.db2.gz NEHWNIGVYQMFEF-WFASDCNBSA-N 0 1 297.320 2.760 20 30 CFEDMN C=CC1CCN(C(=O)N[C@H](C)C[N@H+]2CCC[C@H](C)C2)CC1 ZINC000111838601 262377065 /nfs/dbraw/zinc/37/70/65/262377065.db2.gz FHCYEOKBJIQRRJ-LSDHHAIUSA-N 0 1 293.455 2.714 20 30 CFEDMN COCCN(CCC(C)(C)C#N)Cc1ccc(C)o1 ZINC000272029504 263001465 /nfs/dbraw/zinc/00/14/65/263001465.db2.gz OXRBQBGQXGAYKX-UHFFFAOYSA-N 0 1 264.369 2.976 20 30 CFEDMN CCn1nc(C)c(CN2CCC(C)(C#N)CC2)c1C ZINC000272511617 263005771 /nfs/dbraw/zinc/00/57/71/263005771.db2.gz JCEQURILZGFLAU-UHFFFAOYSA-N 0 1 260.385 2.646 20 30 CFEDMN N#CCCCNC(=O)c1c(O)cc(Cl)cc1Cl ZINC000273094143 263012476 /nfs/dbraw/zinc/01/24/76/263012476.db2.gz IEIZOJMBPPSPQZ-UHFFFAOYSA-N 0 1 273.119 2.733 20 30 CFEDMN CCN(CCC#N)C(=O)CN1CC[C@H](c2cccc(C)c2)C1 ZINC000273136389 263012948 /nfs/dbraw/zinc/01/29/48/263012948.db2.gz UPJYTVWZLHMUDV-KRWDZBQOSA-N 0 1 299.418 2.547 20 30 CFEDMN Cc1ccc2[nH]cc(C(=O)N(C)[C@@H](C)CC#N)c(=O)c2c1 ZINC000273281511 263014555 /nfs/dbraw/zinc/01/45/55/263014555.db2.gz WRASKGFMAXZLAI-NSHDSACASA-N 0 1 283.331 2.623 20 30 CFEDMN CC(C)C[C@H](N)c1noc(-c2ccc(CC#N)cc2)n1 ZINC000414625367 263015169 /nfs/dbraw/zinc/01/51/69/263015169.db2.gz WLJYLRHDFPPIOI-ZDUSSCGKSA-N 0 1 270.336 2.849 20 30 CFEDMN CCC(N)=NOCc1cc(C#N)ccc1Br ZINC000276844933 263038363 /nfs/dbraw/zinc/03/83/63/263038363.db2.gz CWJGZFKPSPLMRM-UHFFFAOYSA-N 0 1 282.141 2.520 20 30 CFEDMN Cc1cc(NC(=O)CN(C)CCCCC(C)(C)C#N)no1 ZINC000278229314 263045767 /nfs/dbraw/zinc/04/57/67/263045767.db2.gz VDDAHVREDRYEDI-UHFFFAOYSA-N 0 1 292.383 2.573 20 30 CFEDMN CN([C@@H]1CC[C@@H](C#N)C1)[C@@H]1CCCN(c2ccccc2)C1=O ZINC000278669284 263049733 /nfs/dbraw/zinc/04/97/33/263049733.db2.gz QWEAPGUJIOFSAY-DJIMGWMZSA-N 0 1 297.402 2.806 20 30 CFEDMN CN([C@@H]1CC[C@H](C#N)C1)[C@@H]1CCCN(c2ccccc2)C1=O ZINC000278669315 263049771 /nfs/dbraw/zinc/04/97/71/263049771.db2.gz QWEAPGUJIOFSAY-USXIJHARSA-N 0 1 297.402 2.806 20 30 CFEDMN CN(Cc1cc(Br)cn1C)[C@@H]1CC[C@@H](C#N)C1 ZINC000278752983 263050638 /nfs/dbraw/zinc/05/06/38/263050638.db2.gz XEPXBCQJWCGYOY-ZYHUDNBSSA-N 0 1 296.212 2.912 20 30 CFEDMN CC[C@@H](C#N)S(=O)(=O)Nc1ccc(Cl)cc1F ZINC000088476812 263054039 /nfs/dbraw/zinc/05/40/39/263054039.db2.gz SRWVFAOKBXCAGN-QMMMGPOBSA-N 0 1 276.720 2.523 20 30 CFEDMN C[C@@H]1CN(Cc2ccc(OCC#N)cc2)C[C@@H](C2CC2)O1 ZINC000279267389 263054336 /nfs/dbraw/zinc/05/43/36/263054336.db2.gz IWBHLTAJCRSIED-DYVFJYSZSA-N 0 1 286.375 2.588 20 30 CFEDMN N#CC1(C(=O)Nc2cc(Cl)c(O)cc2F)CCC1 ZINC000287076667 263100890 /nfs/dbraw/zinc/10/08/90/263100890.db2.gz VRGXYRQKBRZXHC-UHFFFAOYSA-N 0 1 268.675 2.817 20 30 CFEDMN CC[C@](C)(C#N)c1nc(-c2ccn3cncc3c2)no1 ZINC000289302078 263108865 /nfs/dbraw/zinc/10/88/65/263108865.db2.gz WKOBKKOKCTUQOQ-CQSZACIVSA-N 0 1 267.292 2.576 20 30 CFEDMN Cc1nc2sccn2c1CN(C)[C@@H]1CC[C@@H](C#N)C1 ZINC000293904150 263152210 /nfs/dbraw/zinc/15/22/10/263152210.db2.gz WGZRDERBMDGURF-VXGBXAGGSA-N 0 1 274.393 2.828 20 30 CFEDMN C=C[C@H](CO)N[C@@H](CC)c1cc(Cl)ccc1OC ZINC000353572066 263176972 /nfs/dbraw/zinc/17/69/72/263176972.db2.gz WTEWWIRTJDFRLH-YPMHNXCESA-N 0 1 269.772 2.936 20 30 CFEDMN C#CCN(Cc1ccc(F)cc1)[C@H]1CC[C@@H](C#N)C1 ZINC000298071086 263214647 /nfs/dbraw/zinc/21/46/47/263214647.db2.gz JLGSCBBIPYVKED-ZBFHGGJFSA-N 0 1 256.324 2.953 20 30 CFEDMN N#CC1(C(=O)Nc2ccc3nc[nH]c3c2)CCCC1 ZINC000299295196 263238079 /nfs/dbraw/zinc/23/80/79/263238079.db2.gz LGFJGPQKIAXTTH-UHFFFAOYSA-N 0 1 254.293 2.585 20 30 CFEDMN CC#CCN(C)C(=O)[C@@H]1CCCCN1Cc1ccccc1 ZINC000341048406 263319311 /nfs/dbraw/zinc/31/93/11/263319311.db2.gz TWANQDFZIJUCPW-KRWDZBQOSA-N 0 1 284.403 2.523 20 30 CFEDMN C=CCOc1cccc(CNCc2cc(C)nn2C)c1 ZINC000341378547 263334626 /nfs/dbraw/zinc/33/46/26/263334626.db2.gz ZTELUCQAXJNMPS-UHFFFAOYSA-N 0 1 271.364 2.583 20 30 CFEDMN CCN1CCN(C(=O)C[C@H](CC#N)c2ccccc2)[C@@H](C)C1 ZINC000341788169 263351808 /nfs/dbraw/zinc/35/18/08/263351808.db2.gz JGAWRJCAHFMKJA-RDJZCZTQSA-N 0 1 299.418 2.627 20 30 CFEDMN C=CC[N@H+](CCc1ccco1)CCn1cc(C)cn1 ZINC000341909719 263366150 /nfs/dbraw/zinc/36/61/50/263366150.db2.gz IXBCRXXHYGBHDS-UHFFFAOYSA-N 0 1 259.353 2.515 20 30 CFEDMN C=C(C)C[C@H](C)C(=O)N1C[C@H](C)N(CC)C[C@@H]1C ZINC000342009813 263377142 /nfs/dbraw/zinc/37/71/42/263377142.db2.gz BVIFGNKPFCRAIQ-IHRRRGAJSA-N 0 1 252.402 2.530 20 30 CFEDMN Cc1ccc2nc([C@@H]3CCCN(C(=O)[C@@H](C)C#N)C3)[nH]c2c1 ZINC000334248954 263517389 /nfs/dbraw/zinc/51/73/89/263517389.db2.gz YJHOIKPQFIIKND-QWHCGFSZSA-N 0 1 296.374 2.737 20 30 CFEDMN CCN(CC)[C@H](C(=O)NCC1(C#N)CCC1)c1ccccc1 ZINC000416361821 263706569 /nfs/dbraw/zinc/70/65/69/263706569.db2.gz ZXDWIZXVXGLXMI-INIZCTEOSA-N 0 1 299.418 2.880 20 30 CFEDMN C=CCN(CCc1ccccc1)Cc1cnc(N(C)C)n1C ZINC000425324255 263813593 /nfs/dbraw/zinc/81/35/93/263813593.db2.gz KDOFBOGHWILEQL-UHFFFAOYSA-N 0 1 298.434 2.717 20 30 CFEDMN C[C@@H]1C[C@H](C)[C@@H](C(=O)Nc2cccc(-c3cn[nH]n3)c2)O1 ZINC000328691658 263844584 /nfs/dbraw/zinc/84/45/84/263844584.db2.gz DZZWRXDHUGYDKF-RBZYPMLTSA-N 0 1 286.335 2.873 20 30 CFEDMN C[C@@H]1C[C@@H](C)[C@@H](C(=O)Nc2cccc(-c3cn[nH]n3)c2)O1 ZINC000328691659 263844839 /nfs/dbraw/zinc/84/48/39/263844839.db2.gz DZZWRXDHUGYDKF-RULNRJAQSA-N 0 1 286.335 2.873 20 30 CFEDMN CCN1CCC[C@@H](NC(=O)c2cc(C(C)(C)C)on2)C1 ZINC000330907911 264074265 /nfs/dbraw/zinc/07/42/65/264074265.db2.gz TWKTWGWOVMYPGZ-LLVKDONJSA-N 0 1 279.384 2.761 20 30 CFEDMN CN(Cc1cc(C(C)(C)C)[nH]n1)C(=O)C1(C#N)CCCC1 ZINC000330986615 264103809 /nfs/dbraw/zinc/10/38/09/264103809.db2.gz RDNUEZIFBMULNR-UHFFFAOYSA-N 0 1 288.395 2.750 20 30 CFEDMN CC(C)(C)CCNC(=O)N[C@H]1CCCc2cn[nH]c21 ZINC000331118017 264129303 /nfs/dbraw/zinc/12/93/03/264129303.db2.gz NCCGKZHJAJKHJT-NSHDSACASA-N 0 1 264.373 2.727 20 30 CFEDMN CC(C)c1ccoc1C(=O)NC[C@H]1CCCCN1CCO ZINC000331329099 264191259 /nfs/dbraw/zinc/19/12/59/264191259.db2.gz NXVWYSISXUMPAI-CYBMUJFWSA-N 0 1 294.395 2.554 20 30 CFEDMN C#CCCOc1ccc(CN2CCSCC2)cc1 ZINC000126208403 264210480 /nfs/dbraw/zinc/21/04/80/264210480.db2.gz WQYVZRWNTSQXIU-UHFFFAOYSA-N 0 1 261.390 2.638 20 30 CFEDMN C=CCCCN(C)[C@@H](C(=O)NC1CC1)c1ccccc1 ZINC000076736190 264343667 /nfs/dbraw/zinc/34/36/67/264343667.db2.gz QSEOXBQDDRLVIS-MRXNPFEDSA-N 0 1 272.392 2.904 20 30 CFEDMN CC#CCN1CCC[C@H](Oc2ccccc2OC)C1 ZINC000353261055 266036982 /nfs/dbraw/zinc/03/69/82/266036982.db2.gz PXINXUHZARZLQL-AWEZNQCLSA-N 0 1 259.349 2.562 20 30 CFEDMN C=C[C@@H](CO)NCc1cn(-c2ccccc2)nc1C(C)C ZINC000356243639 266079832 /nfs/dbraw/zinc/07/98/32/266079832.db2.gz YWXRBKVANHFKEP-HNNXBMFYSA-N 0 1 285.391 2.632 20 30 CFEDMN CC1(C#N)CCN(CCOc2ccc(F)cc2)CC1 ZINC000356447822 266115753 /nfs/dbraw/zinc/11/57/53/266115753.db2.gz PSWYGKQMNUPMMT-UHFFFAOYSA-N 0 1 262.328 2.830 20 30 CFEDMN C[C@H](C(=O)N1[C@@H](C)CCC[C@@H]1C)N1CCC(C)(C#N)CC1 ZINC000356460272 266118185 /nfs/dbraw/zinc/11/81/85/266118185.db2.gz RLCCYBKPCLRIQR-SOUVJXGZSA-N 0 1 291.439 2.790 20 30 CFEDMN C=CCOc1ccccc1CN[C@@H]1C[C@@H](OCC)[C@H]1OC ZINC000361164969 266794590 /nfs/dbraw/zinc/79/45/90/266794590.db2.gz HRMSECGFLDIMNB-OIISXLGYSA-N 0 1 291.391 2.533 20 30 CFEDMN C=CCSc1ccccc1C(=O)Nc1nnc(C)[nH]1 ZINC000362757116 267042326 /nfs/dbraw/zinc/04/23/26/267042326.db2.gz QPLLMIJMSMJAAZ-UHFFFAOYSA-N 0 1 274.349 2.644 20 30 CFEDMN C=CCSc1ccccc1C(=O)Nc1nc(C)n[nH]1 ZINC000362757116 267042329 /nfs/dbraw/zinc/04/23/29/267042329.db2.gz QPLLMIJMSMJAAZ-UHFFFAOYSA-N 0 1 274.349 2.644 20 30 CFEDMN C=C(Cl)CN[C@H](C)[C@@H]1CN(Cc2ccccc2)CCO1 ZINC000368466151 267175276 /nfs/dbraw/zinc/17/52/76/267175276.db2.gz KPGNCWZFHMWLMI-ZBFHGGJFSA-N 0 1 294.826 2.618 20 30 CFEDMN C#CCCCCNC(=O)[C@@H]1CCc2[nH]c(C(C)C)nc2C1 ZINC000368725952 267199290 /nfs/dbraw/zinc/19/92/90/267199290.db2.gz AENHWOKWTAMAKE-CYBMUJFWSA-N 0 1 287.407 2.558 20 30 CFEDMN C=CCN(CC)CC(=O)N1CCC[C@@H]1c1cccs1 ZINC000368797295 267205966 /nfs/dbraw/zinc/20/59/66/267205966.db2.gz JZMOQAKZQNOBJL-CYBMUJFWSA-N 0 1 278.421 2.920 20 30 CFEDMN C=CCN(CC)CC(=O)N1CCC[C@@H]1c1ccsc1 ZINC000368795126 267206050 /nfs/dbraw/zinc/20/60/50/267206050.db2.gz MSWNUKZYWIRZTD-CQSZACIVSA-N 0 1 278.421 2.920 20 30 CFEDMN C=CCCCN1CCN(C(=O)Cc2ccccc2C)CC1 ZINC000117876389 267223780 /nfs/dbraw/zinc/22/37/80/267223780.db2.gz OHSIGQHPMZPCLH-UHFFFAOYSA-N 0 1 286.419 2.648 20 30 CFEDMN C=CCc1cc(CN2CCOC[C@@H](C)C2)cc(OC)c1O ZINC000370182208 267297093 /nfs/dbraw/zinc/29/70/93/267297093.db2.gz ILEKLONFQJITFQ-ZDUSSCGKSA-N 0 1 291.391 2.598 20 30 CFEDMN CC(C)[C@](C)(C#N)NC(=O)CN1C[C@H]2CCCCCC[C@@H]21 ZINC000370545433 267327857 /nfs/dbraw/zinc/32/78/57/267327857.db2.gz FCMVJOUZPGCQJY-VYDXJSESSA-N 0 1 291.439 2.695 20 30 CFEDMN C=CCCCCNC(=O)N1CCC(c2cnc[nH]2)CC1 ZINC000376882151 268027751 /nfs/dbraw/zinc/02/77/51/268027751.db2.gz ODCYAEFGRMTTQU-UHFFFAOYSA-N 0 1 276.384 2.655 20 30 CFEDMN C#CCCCC(=O)Nc1cccc2c1CN(C1CC1)C2 ZINC000376983237 268036555 /nfs/dbraw/zinc/03/65/55/268036555.db2.gz RECNIIPPCFIOPK-UHFFFAOYSA-N 0 1 268.360 2.907 20 30 CFEDMN C[C@H](NCc1ccc(C#N)cn1)c1ccc(C#N)cc1 ZINC000515688333 270374061 /nfs/dbraw/zinc/37/40/61/270374061.db2.gz CBCNKYKYCAKDCP-LBPRGKRZSA-N 0 1 262.316 2.676 20 30 CFEDMN CCOC1(C)CCN(CC#Cc2ccccc2)CC1 ZINC000298433606 273696164 /nfs/dbraw/zinc/69/61/64/273696164.db2.gz YOEQXURTQBUXIJ-UHFFFAOYSA-N 0 1 257.377 2.929 20 30 CFEDMN CC1(NCc2nc(C#N)cs2)Cc2ccccc2C1 ZINC000335917389 275899518 /nfs/dbraw/zinc/89/95/18/275899518.db2.gz HAZINVUZRZOEDA-UHFFFAOYSA-N 0 1 269.373 2.662 20 30 CFEDMN CCN(CC(=O)Nc1oc(C)c(C)c1C#N)C1CCC1 ZINC000447975386 276087051 /nfs/dbraw/zinc/08/70/51/276087051.db2.gz GUILRHXUTCDBRU-UHFFFAOYSA-N 0 1 275.352 2.581 20 30 CFEDMN C=C[C@H](CO)N[C@H]1C[C@H](C)Sc2sccc21 ZINC000289647521 276923311 /nfs/dbraw/zinc/92/33/11/276923311.db2.gz GBIZHCONEWKHMS-NGZCFLSTSA-N 0 1 255.408 2.810 20 30 CFEDMN CC(C)(C#N)CCCN1CCN(C(=O)C2CC2)CC1(C)C ZINC000345958866 277120708 /nfs/dbraw/zinc/12/07/08/277120708.db2.gz NGUSLTNEGYPCSO-UHFFFAOYSA-N 0 1 291.439 2.649 20 30 CFEDMN C[C@@H](N[C@H](C)c1ccc(C#N)cc1)C(=O)N1CCC(C)CC1 ZINC000127533220 278378713 /nfs/dbraw/zinc/37/87/13/278378713.db2.gz YVJUKRCXYWQTEM-HUUCEWRRSA-N 0 1 299.418 2.856 20 30 CFEDMN C[C@@H]1[C@H](C)SCCN1Cc1ccc(C#N)s1 ZINC000127803803 279108839 /nfs/dbraw/zinc/10/88/39/279108839.db2.gz RJRIOMXKLSBCGO-ZJUUUORDSA-N 0 1 252.408 2.946 20 30 CFEDMN C[C@H](N[C@@H](C)c1ccc(C#N)cc1)C(=O)N1CCC(C)CC1 ZINC000127533006 279498369 /nfs/dbraw/zinc/49/83/69/279498369.db2.gz YVJUKRCXYWQTEM-GJZGRUSLSA-N 0 1 299.418 2.856 20 30 CFEDMN CC(=Cc1ccccc1)c1nc(C)c(C#N)c(=O)[nH]1 ZINC000193614939 280915563 /nfs/dbraw/zinc/91/55/63/280915563.db2.gz WUNWWAFZYTZBSA-NTMALXAHSA-N 0 1 251.289 2.511 20 30 CFEDMN CC(C)CCNC(=O)[C@H](C)N[C@@H](C)c1ccc(C#N)cc1 ZINC000037502330 289822839 /nfs/dbraw/zinc/82/28/39/289822839.db2.gz QEQDEAFGPJMWJR-KBPBESRZSA-N 0 1 287.407 2.760 20 30 CFEDMN C[C@H](N[C@H]1CCN(C(C)(C)C)C1=O)c1ccc(C#N)cc1 ZINC000424114355 290052072 /nfs/dbraw/zinc/05/20/72/290052072.db2.gz QOPZOBZDJRJTHG-WFASDCNBSA-N 0 1 285.391 2.608 20 30 CFEDMN CC[C@@H](O)CN(Cc1ccccc1)Cc1ccc(C#N)cn1 ZINC000563893628 290181863 /nfs/dbraw/zinc/18/18/63/290181863.db2.gz CIVCEFDKWAGNKA-GOSISDBHSA-N 0 1 295.386 2.726 20 30 CFEDMN CN(Cc1ccc(Cl)cc1C#N)C1CCOCC1 ZINC000564794120 290233177 /nfs/dbraw/zinc/23/31/77/290233177.db2.gz UAFLXWHLQIZBDC-UHFFFAOYSA-N 0 1 264.756 2.822 20 30 CFEDMN N#Cc1ccc(CN2CCC(OC3CCCC3)CC2)nc1 ZINC000565162420 290274099 /nfs/dbraw/zinc/27/40/99/290274099.db2.gz HTXBCVXQVDBTSM-UHFFFAOYSA-N 0 1 285.391 2.877 20 30 CFEDMN O=C(N[C@@H]1CCc2[nH]cnc2C1)N1CC[C@@H]1c1ccccc1 ZINC000329701803 295384732 /nfs/dbraw/zinc/38/47/32/295384732.db2.gz HOBCHDAIDGHTKO-CZUORRHYSA-N 0 1 296.374 2.628 20 30 CFEDMN [O-]C(=[NH+][C@@H]1CCc2nc[nH]c2C1)N1CC[C@@H]1c1ccccc1 ZINC000329701803 295384734 /nfs/dbraw/zinc/38/47/34/295384734.db2.gz HOBCHDAIDGHTKO-CZUORRHYSA-N 0 1 296.374 2.628 20 30 CFEDMN [O-]C(=[NH+][C@@H]1CCc2[nH]cnc2C1)N1CC[C@@H]1c1ccccc1 ZINC000329701803 295384736 /nfs/dbraw/zinc/38/47/36/295384736.db2.gz HOBCHDAIDGHTKO-CZUORRHYSA-N 0 1 296.374 2.628 20 30 CFEDMN C=C(C)CN1CC[C@H]1CN(C)C(=O)c1cccc(C)c1 ZINC001085466115 782068261 /nfs/dbraw/zinc/06/82/61/782068261.db2.gz OUQANRDWHBULIJ-INIZCTEOSA-N 0 1 272.392 2.717 20 30 CFEDMN C[Si](C)(C)C#CCCNC(=O)c1cccc2nc[nH]c21 ZINC000828176548 782078557 /nfs/dbraw/zinc/07/85/57/782078557.db2.gz FODYXXWLWYRCEV-UHFFFAOYSA-N 0 1 285.423 2.564 20 30 CFEDMN C[C@@H](COc1ccc(F)cc1F)NC[C@H](C#N)CCC#N ZINC000562988331 327737509 /nfs/dbraw/zinc/73/75/09/327737509.db2.gz YJKFOXCXOPXYHP-RYUDHWBXSA-N 0 1 293.317 2.765 20 30 CFEDMN C=CCNC(=O)CN[C@H](C)c1cccc(C(F)(F)F)c1 ZINC000120585933 327876787 /nfs/dbraw/zinc/87/67/87/327876787.db2.gz BVBWCMGSGZOMJP-SNVBAGLBSA-N 0 1 286.297 2.658 20 30 CFEDMN CCCCCCCC(=O)N1CCN([C@@H]2CCSC2)CC1 ZINC000365870533 327961244 /nfs/dbraw/zinc/96/12/44/327961244.db2.gz PZGYBRCXVOENMY-OAHLLOKOSA-N 0 1 298.496 2.997 20 30 CFEDMN CC[C@H](CC#N)NC[C@H](O)COc1cc(C)ccc1Cl ZINC000570981829 327969100 /nfs/dbraw/zinc/96/91/00/327969100.db2.gz XWMDURIBWFUSDS-OLZOCXBDSA-N 0 1 296.798 2.670 20 30 CFEDMN C=CCCN1CCN(c2cc(F)ccc2F)CC1 ZINC000177639649 329187786 /nfs/dbraw/zinc/18/77/86/329187786.db2.gz FGXJDFAXBHLTPY-UHFFFAOYSA-N 0 1 252.308 2.663 20 30 CFEDMN N#C[C@@H]1CCC[C@@H](NCc2nc3cc([N+](=O)[O-])ccc3[nH]2)C1 ZINC000278592884 328227813 /nfs/dbraw/zinc/22/78/13/328227813.db2.gz FCCLVSVBFVIGJT-GHMZBOCLSA-N 0 1 299.334 2.643 20 30 CFEDMN C=C(C)CN(C)[C@H](C)C(=O)N[C@@H](C)c1ccc(F)cc1 ZINC000181283497 329229530 /nfs/dbraw/zinc/22/95/30/329229530.db2.gz IHSGWESMFOGQNM-QWHCGFSZSA-N 0 1 278.371 2.899 20 30 CFEDMN COc1ccccc1CN1CCN([C@H]2CC[C@H](C#N)C2)CC1 ZINC000293160268 328274556 /nfs/dbraw/zinc/27/45/56/328274556.db2.gz RMXVPKPIJVDEPD-RDJZCZTQSA-N 0 1 299.418 2.505 20 30 CFEDMN COc1ccc2c(c1)CN([C@H]1CC[C@H](C#N)C1)CC2 ZINC000293564714 328276845 /nfs/dbraw/zinc/27/68/45/328276845.db2.gz SEAPHZRNLSHRPY-WFASDCNBSA-N 0 1 256.349 2.746 20 30 CFEDMN C=CCSCCN[C@H](c1c[nH]nn1)c1ccc(F)cc1 ZINC000340515179 328287329 /nfs/dbraw/zinc/28/73/29/328287329.db2.gz NRIZHSBQYWVQMA-AWEZNQCLSA-N 0 1 292.383 2.542 20 30 CFEDMN C#CCCCCC(=O)NC[C@@H](C)N1CCc2ccccc2C1 ZINC000119573268 328307501 /nfs/dbraw/zinc/30/75/01/328307501.db2.gz IZXCQYOESYFWTC-MRXNPFEDSA-N 0 1 298.430 2.743 20 30 CFEDMN C=CCCCN(C)CC(=O)Nc1ccc(OC)c(OC)c1 ZINC000121132552 328364831 /nfs/dbraw/zinc/36/48/31/328364831.db2.gz KQUDKEIBEBFOTG-UHFFFAOYSA-N 0 1 292.379 2.540 20 30 CFEDMN C=C(C)CN1CCN(c2ccc(OC)c(F)c2)CC1 ZINC000122039731 328389749 /nfs/dbraw/zinc/38/97/49/328389749.db2.gz UVLKKVMLQSEUPU-UHFFFAOYSA-N 0 1 264.344 2.532 20 30 CFEDMN Cc1cc(F)ccc1NC(=O)c1ccc(C#N)c(O)c1 ZINC000188220107 324011000 /nfs/dbraw/zinc/01/10/00/324011000.db2.gz QWGJIQNULPEONB-UHFFFAOYSA-N 0 1 270.263 2.964 20 30 CFEDMN COc1ccccc1[C@H]1CC[N@@H+](Cc2ccc(C#N)cn2)C1 ZINC000581139248 325094473 /nfs/dbraw/zinc/09/44/73/325094473.db2.gz ADQPMUQEECQJLU-HNNXBMFYSA-N 0 1 293.370 2.951 20 30 CFEDMN CC[C@@H](C#N)S(=O)(=O)Nc1cccc(Cl)c1F ZINC000088475781 330376557 /nfs/dbraw/zinc/37/65/57/330376557.db2.gz FECGPVGEKNAJFS-ZETCQYMHSA-N 0 1 276.720 2.523 20 30 CFEDMN C#CCN1CCC(C(=O)N(CC)[C@H]2CCCC[C@H]2C)CC1 ZINC000066414411 326822970 /nfs/dbraw/zinc/82/29/70/326822970.db2.gz ITMPUXFJUZMUGN-WBVHZDCISA-N 0 1 290.451 2.759 20 30 CFEDMN C=CCN(CCc1ccccc1)C(=O)[C@@H](C)N1CC(C)C1 ZINC000557575569 327013857 /nfs/dbraw/zinc/01/38/57/327013857.db2.gz INBZBVVXEKMREX-MRXNPFEDSA-N 0 1 286.419 2.584 20 30 CFEDMN C=C(C)[C@H]1OCC[C@H]1C(=O)Nc1nc2ccc(C)cc2[nH]1 ZINC000557808729 327028411 /nfs/dbraw/zinc/02/84/11/327028411.db2.gz OCNAPFSDLUHIKJ-BXUZGUMPSA-N 0 1 285.347 2.791 20 30 CFEDMN COc1cc2c(cc1CNCC1(CC#N)CC1)O[C@@H](C)C2 ZINC000584209010 327067184 /nfs/dbraw/zinc/06/71/84/327067184.db2.gz XLIABCHYBBEWAT-LBPRGKRZSA-N 0 1 286.375 2.802 20 30 CFEDMN C=C(Cl)CN[C@@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC000166152428 327089495 /nfs/dbraw/zinc/08/94/95/327089495.db2.gz YVGLTVHPXSYMCP-LLVKDONJSA-N 0 1 274.792 2.728 20 30 CFEDMN C=C(Cl)CN[C@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC000166152289 327089478 /nfs/dbraw/zinc/08/94/78/327089478.db2.gz YVGLTVHPXSYMCP-NSHDSACASA-N 0 1 274.792 2.728 20 30 CFEDMN CCN(C[C@@H](C)C#N)C(=O)CN1CCC[C@@H]1c1ccccc1 ZINC000076842943 327130968 /nfs/dbraw/zinc/13/09/68/327130968.db2.gz ZQHCJBCLJBWAGG-DOTOQJQBSA-N 0 1 299.418 2.832 20 30 CFEDMN CC1(C)CCC[N@@H+](CC(=O)NC2(C#N)CCCCC2)CC1 ZINC000127042671 327149031 /nfs/dbraw/zinc/14/90/31/327149031.db2.gz FXHPUTUHAWHELY-UHFFFAOYSA-N 0 1 291.439 2.841 20 30 CFEDMN COC(=O)[C@@H](C)C/N=C/c1cc(Cl)cc(Cl)c1O ZINC000101799807 327222848 /nfs/dbraw/zinc/22/28/48/327222848.db2.gz RSJAWRHOZUZDAJ-CKLBDGOISA-N 0 1 290.146 2.927 20 30 CFEDMN C[C@H](CCC#N)N1CCC(C#N)(c2ccccn2)CC1 ZINC000582125386 327311590 /nfs/dbraw/zinc/31/15/90/327311590.db2.gz QCFFLYQZDYPLFN-CQSZACIVSA-N 0 1 268.364 2.631 20 30 CFEDMN C[C@@H]1CC[C@@H](C)N1CC(=O)N[C@@](C)(C#N)C1CCCCC1 ZINC000562580841 327496248 /nfs/dbraw/zinc/49/62/48/327496248.db2.gz WYSMCZUGXOYPSK-CPUCHLNUSA-N 0 1 291.439 2.838 20 30 CFEDMN COCC1(C)CCN(CC#Cc2ccc(F)cc2)CC1 ZINC000358763117 328893830 /nfs/dbraw/zinc/89/38/30/328893830.db2.gz AZJZWYCRUIDJGQ-UHFFFAOYSA-N 0 1 275.367 2.926 20 30 CFEDMN C#Cc1ccc(C[N@H+]2CC[C@H](Oc3cccnc3)C2)cc1 ZINC000377649363 329023106 /nfs/dbraw/zinc/02/31/06/329023106.db2.gz MHPBPOUYORJFFJ-SFHVURJKSA-N 0 1 278.355 2.716 20 30 CFEDMN C#Cc1ccc(CN2C[C@H](C)O[C@@]3(CCO[C@@H](C)C3)C2)cc1 ZINC000377710074 329026271 /nfs/dbraw/zinc/02/62/71/329026271.db2.gz ZYMKSTLXKWAIPN-TXPKVOOTSA-N 0 1 299.414 2.826 20 30 CFEDMN C=CCN1CC[C@H]2CC[C@@H](C1)N2C(=O)OC(C)(C)C ZINC000377995897 329036542 /nfs/dbraw/zinc/03/65/42/329036542.db2.gz PLAKWBKAMYUJGV-OLZOCXBDSA-N 0 1 266.385 2.646 20 30 CFEDMN C[C@@H](C#N)Oc1ccc(CN[C@H]2CCCc3c[nH]nc32)cc1 ZINC000378164836 329042057 /nfs/dbraw/zinc/04/20/57/329042057.db2.gz UVXSPHVBTPYXIA-LRDDRELGSA-N 0 1 296.374 2.868 20 30 CFEDMN CCOCc1cc(CN2CCC(C#N)CC2)ccc1OC ZINC000179734172 329208107 /nfs/dbraw/zinc/20/81/07/329208107.db2.gz ZUXOBYVHZJIFBP-UHFFFAOYSA-N 0 1 288.391 2.967 20 30 CFEDMN C=C(C)CN(C)[C@H](C)C(=O)NCC1CCCCC1 ZINC000181324768 329231415 /nfs/dbraw/zinc/23/14/15/329231415.db2.gz NSXSMGPHAJMJNB-CYBMUJFWSA-N 0 1 252.402 2.579 20 30 CFEDMN C=C(C)CN(C)[C@H](C)C(=O)N(C)Cc1cccc(F)c1 ZINC000181245033 329227674 /nfs/dbraw/zinc/22/76/74/329227674.db2.gz BBHFFCXJJRCZQN-CYBMUJFWSA-N 0 1 278.371 2.681 20 30 CFEDMN C=C(C)CN(C)[C@@H](C)C(=O)NC1CCC(C)CC1 ZINC000181272556 329228918 /nfs/dbraw/zinc/22/89/18/329228918.db2.gz ZCHYHNDPMNTBCF-MOKVOYLWSA-N 0 1 252.402 2.578 20 30 CFEDMN C=C(C)CN(C)[C@@H](C)C(=O)Nc1ccc(OC)cc1 ZINC000181295175 329230147 /nfs/dbraw/zinc/23/01/47/329230147.db2.gz XYJSQEIODWHIGO-LBPRGKRZSA-N 0 1 262.353 2.530 20 30 CFEDMN C=C(C)CN(C)[C@H](C)C(=O)Nc1ccc(OC)cc1 ZINC000181295192 329230492 /nfs/dbraw/zinc/23/04/92/329230492.db2.gz XYJSQEIODWHIGO-GFCCVEGCSA-N 0 1 262.353 2.530 20 30 CFEDMN C=C(C)CN(C)[C@H](C)C(=O)N[C@H](C)c1ccccc1OC ZINC000181309286 329230892 /nfs/dbraw/zinc/23/08/92/329230892.db2.gz WXJNGUPGJSWPKJ-ZIAGYGMSSA-N 0 1 290.407 2.769 20 30 CFEDMN C=CCC(CC=C)C(=O)N1CCCC[C@H]1c1nnc[nH]1 ZINC000181355564 329231965 /nfs/dbraw/zinc/23/19/65/329231965.db2.gz UNKWHSPUSGPRFQ-ZDUSSCGKSA-N 0 1 274.368 2.627 20 30 CFEDMN C=CCN(Cc1cccc([N+](=O)[O-])c1)C[C@H](C)OC ZINC000182092905 329236943 /nfs/dbraw/zinc/23/69/43/329236943.db2.gz BQSZWZMKOMQLJD-LBPRGKRZSA-N 0 1 264.325 2.618 20 30 CFEDMN CC#CCCN1CCN([C@H](C)c2cccc(OC)c2)CC1 ZINC000185016507 329264702 /nfs/dbraw/zinc/26/47/02/329264702.db2.gz AUCJJPDPINQNNO-MRXNPFEDSA-N 0 1 286.419 2.787 20 30 CFEDMN C=CC[C@H](CC)Nc1nc(C(F)(F)F)nc2[nH]cnc21 ZINC000583058003 329308626 /nfs/dbraw/zinc/30/86/26/329308626.db2.gz WLDHTFFJYGBDHW-ZETCQYMHSA-N 0 1 285.273 2.560 20 30 CFEDMN C=CCCCN(C)C(=O)c1ccc(-c2nnc[nH]2)cc1 ZINC000185796233 329332114 /nfs/dbraw/zinc/33/21/14/329332114.db2.gz LJNVJJBZSZXPAK-UHFFFAOYSA-N 0 1 270.336 2.510 20 30 CFEDMN CC#CCCCC(=O)N[C@@H](c1n[nH]c(C)n1)c1ccccc1 ZINC000186153557 329338774 /nfs/dbraw/zinc/33/87/74/329338774.db2.gz WRZKLCIZQHOQGB-MRXNPFEDSA-N 0 1 296.374 2.512 20 30 CFEDMN C=C[C@](C)(CC)C(=O)N1CCN(CCOC)[C@@H](CCC)C1 ZINC000188558003 329369975 /nfs/dbraw/zinc/36/99/75/329369975.db2.gz UROHTKYTIYNXGO-DOTOQJQBSA-N 0 1 296.455 2.548 20 30 CFEDMN C=CCCS(=O)(=O)Nc1cc(F)ccc1OCC1CC1 ZINC000189478897 329381232 /nfs/dbraw/zinc/38/12/32/329381232.db2.gz GSEFIBMESLRWIP-UHFFFAOYSA-N 0 1 299.367 2.932 20 30 CFEDMN C=CCOc1cccc(C[N@@H+]2C[C@@H](C(=O)[O-])CC[C@@H]2C)c1 ZINC000263356289 330052955 /nfs/dbraw/zinc/05/29/55/330052955.db2.gz QXIHUXKQQQFGRN-ZFWWWQNUSA-N 0 1 289.375 2.937 20 30 CFEDMN C=CCC[C@H](C)NCc1nn(C)cc1Br ZINC000393336203 330239036 /nfs/dbraw/zinc/23/90/36/330239036.db2.gz FVIPZYXXSBLUJV-VIFPVBQESA-N 0 1 272.190 2.627 20 30 CFEDMN CC(C)C[C@H](C)N1C[C@@H](C#N)[C@@]2(C1)c1ccccc1NC2=O ZINC000445442818 330352573 /nfs/dbraw/zinc/35/25/73/330352573.db2.gz CNGPHOMOIAKCEF-IYOUNJFTSA-N 0 1 297.402 2.766 20 30 CFEDMN C=C(C)CN(CC)[C@@H]1CCN(c2ccccc2OC)C1=O ZINC000152521121 330373427 /nfs/dbraw/zinc/37/34/27/330373427.db2.gz NKZIVGXMKVGPFJ-OAHLLOKOSA-N 0 1 288.391 2.699 20 30 CFEDMN CCCN(CCCC(C)(C)C#N)CC(=O)OCC ZINC000087607099 330373782 /nfs/dbraw/zinc/37/37/82/330373782.db2.gz FZMQNJWRJGBSCR-UHFFFAOYSA-N 0 1 254.374 2.591 20 30 CFEDMN C=CCCS(=O)(=O)Nc1cc(OC)ccc1OC(C)C ZINC000120192733 330386221 /nfs/dbraw/zinc/38/62/21/330386221.db2.gz BUEVKLYGXRONFF-UHFFFAOYSA-N 0 1 299.392 2.800 20 30 CFEDMN C=CCCc1csc([C@@H]2CN3CCC[C@@H]3CO2)n1 ZINC000090065564 330390102 /nfs/dbraw/zinc/39/01/02/330390102.db2.gz HVSYLZWOXAUYHF-OLZOCXBDSA-N 0 1 264.394 2.797 20 30 CFEDMN N#C[C@H]1CC[C@@H](NCc2cccnc2OCC(F)(F)F)C1 ZINC000442716715 330780440 /nfs/dbraw/zinc/78/04/40/330780440.db2.gz MXLGDIZKZWZTEZ-CMPLNLGQSA-N 0 1 299.296 2.805 20 30 CFEDMN CC[C@H](CC#N)N[C@@H](C)Cc1ccccc1[N+](=O)[O-] ZINC000449243526 330909211 /nfs/dbraw/zinc/90/92/11/330909211.db2.gz LLGKRGAIDLMUEK-WCQYABFASA-N 0 1 261.325 2.808 20 30 CFEDMN N#C[C@H]1CC[C@H](NCc2cccc(C(F)(F)F)n2)C1 ZINC000449403646 330922910 /nfs/dbraw/zinc/92/29/10/330922910.db2.gz XGMQUGNIDHNVMT-UWVGGRQHSA-N 0 1 269.270 2.882 20 30 CFEDMN C=C(CC)CNCc1cc(OC)c(OC)cc1[N+](=O)[O-] ZINC000449732355 330946398 /nfs/dbraw/zinc/94/63/98/330946398.db2.gz LNUUWMKMUGDIOO-UHFFFAOYSA-N 0 1 280.324 2.668 20 30 CFEDMN C=C[C@@H]1OCC[C@H]1NCC(=O)Nc1cccc(Cl)c1C ZINC000451604724 331036209 /nfs/dbraw/zinc/03/62/09/331036209.db2.gz IHGJDKDYJFTRHR-KGLIPLIRSA-N 0 1 294.782 2.520 20 30 CFEDMN C=C[C@@H]1OCCC[C@H]1NCc1c(F)cccc1[N+](=O)[O-] ZINC000451675663 331038509 /nfs/dbraw/zinc/03/85/09/331038509.db2.gz QGQHHLLDWFKKQH-OCCSQVGLSA-N 0 1 280.299 2.557 20 30 CFEDMN COC(=O)[C@H]1CN(CC2(C#N)CCC2)C[C@H]1c1ccccc1 ZINC000452011773 331050400 /nfs/dbraw/zinc/05/04/00/331050400.db2.gz XBYNBJXZUWUJFU-HOTGVXAUSA-N 0 1 298.386 2.569 20 30 CFEDMN C=C(C)CCNC(=O)[C@@H]1CCc2[nH]c(C(C)C)nc2C1 ZINC000452718033 331073274 /nfs/dbraw/zinc/07/32/74/331073274.db2.gz NVJILYABPSYRSG-GFCCVEGCSA-N 0 1 275.396 2.720 20 30 CFEDMN Cn1c[nH+]cc1C([O-])=C(C#N)c1ncc(C(C)(C)C)s1 ZINC000453780939 331138272 /nfs/dbraw/zinc/13/82/72/331138272.db2.gz QHFMIBCTGQIPCR-VIFPVBQESA-N 0 1 288.376 2.664 20 30 CFEDMN C=C(C)CCNC(=O)N1CCC[C@H](c2cc(C)[nH]n2)C1 ZINC000455325504 331166177 /nfs/dbraw/zinc/16/61/77/331166177.db2.gz NARUDTMCHHTXPA-ZDUSSCGKSA-N 0 1 276.384 2.573 20 30 CFEDMN C=CCC1(C(=O)N2CCN([C@H](C)CC)CC2)CCC1 ZINC000456521663 331195032 /nfs/dbraw/zinc/19/50/32/331195032.db2.gz CNRQYTGKXZNLHE-CQSZACIVSA-N 0 1 264.413 2.676 20 30 CFEDMN CCN1CCCC[C@@H]1C(=O)Nc1cccc(CC#N)c1 ZINC000456741797 331199761 /nfs/dbraw/zinc/19/97/61/331199761.db2.gz ZBNTZCOIJXXKFD-OAHLLOKOSA-N 0 1 271.364 2.566 20 30 CFEDMN C=C(CC)CNC(=O)[C@H](C)N(C)Cc1ccccc1 ZINC000456812006 331204995 /nfs/dbraw/zinc/20/49/95/331204995.db2.gz LOPWCEGTONBTME-AWEZNQCLSA-N 0 1 260.381 2.589 20 30 CFEDMN C=C(C)CCNC(=O)N[C@H](C)c1n[nH]c([C@H](C)CC)n1 ZINC000459003153 331265823 /nfs/dbraw/zinc/26/58/23/331265823.db2.gz ONYAFRDLQSMURW-GHMZBOCLSA-N 0 1 279.388 2.645 20 30 CFEDMN C=CCOc1ccccc1CN1CC(C)(COC)C1 ZINC000459625063 331291080 /nfs/dbraw/zinc/29/10/80/331291080.db2.gz WJOAPCVKUFBWLV-UHFFFAOYSA-N 0 1 261.365 2.720 20 30 CFEDMN Cn1c2ccccc2nc1CNCC(C)(C)CC#N ZINC000459726316 331295998 /nfs/dbraw/zinc/29/59/98/331295998.db2.gz DYCZPQDMRVEFBZ-UHFFFAOYSA-N 0 1 256.353 2.603 20 30 CFEDMN C=CCn1c(-c2ccccc2)n[n-]c1=[NH+]C(C)(C)C ZINC000463107821 331340462 /nfs/dbraw/zinc/34/04/62/331340462.db2.gz NMOCTMUWVHKJOY-UHFFFAOYSA-N 0 1 256.353 2.763 20 30 CFEDMN C=CCCCN1CCN(c2cc(OC)ccc2F)CC1 ZINC000484319052 331896940 /nfs/dbraw/zinc/89/69/40/331896940.db2.gz XIWGORCKXRYKMS-UHFFFAOYSA-N 0 1 278.371 2.923 20 30 CFEDMN C=C[C@@H]1CCCCN1CC(=O)N1CCc2ccccc2C1 ZINC000489450386 332053366 /nfs/dbraw/zinc/05/33/66/332053366.db2.gz WOMLYOJRLQTXHJ-QGZVFWFLSA-N 0 1 284.403 2.612 20 30 CFEDMN CCc1ccc([C@H](C#N)NC(=O)CN2[C@@H](C)CC[C@@H]2C)cc1 ZINC000489955942 332074277 /nfs/dbraw/zinc/07/42/77/332074277.db2.gz SJIXQSNCFYWURE-ZQIUZPCESA-N 0 1 299.418 2.803 20 30 CFEDMN C#CCN1CCC(C(=O)N(CC)Cc2ccc(C)cc2)CC1 ZINC000490555341 332091452 /nfs/dbraw/zinc/09/14/52/332091452.db2.gz COZWXTCESJXJST-UHFFFAOYSA-N 0 1 298.430 2.689 20 30 CFEDMN C#CCN1CCC(C(=O)N(C)C2CCCCCCC2)CC1 ZINC000490593503 332093812 /nfs/dbraw/zinc/09/38/12/332093812.db2.gz AJTGRIXWMIZCMY-UHFFFAOYSA-N 0 1 290.451 2.903 20 30 CFEDMN C#CCN1CCC(C(=O)N2CCC[C@H]2CCCCC)CC1 ZINC000490804170 332117053 /nfs/dbraw/zinc/11/70/53/332117053.db2.gz UQONPAXKZPGCEI-QGZVFWFLSA-N 0 1 290.451 2.903 20 30 CFEDMN C#CCN1CCC(C(=O)OC[C@H](C)c2ccccc2)CC1 ZINC000490840370 332119351 /nfs/dbraw/zinc/11/93/51/332119351.db2.gz NYZMIWFNMAFZAV-HNNXBMFYSA-N 0 1 285.387 2.679 20 30 CFEDMN C#CCN1CCC(C(=O)O[C@H](C)c2ccc(F)cc2)CC1 ZINC000490873934 332123579 /nfs/dbraw/zinc/12/35/79/332123579.db2.gz LHLSLJKTJGEGEN-CYBMUJFWSA-N 0 1 289.350 2.775 20 30 CFEDMN C#CCN1CCC(C(=O)OCCCc2ccccc2)CC1 ZINC000490892708 332125694 /nfs/dbraw/zinc/12/56/94/332125694.db2.gz OASSNLHKXXFFEV-UHFFFAOYSA-N 0 1 285.387 2.508 20 30 CFEDMN C#CCN(Cc1ccccc1)C(=O)c1cccc2[nH]cnc21 ZINC000491180740 332161442 /nfs/dbraw/zinc/16/14/42/332161442.db2.gz NNTAWYZEZGPVLR-UHFFFAOYSA-N 0 1 289.338 2.839 20 30 CFEDMN C#CCN(Cc1cccc(OCCCC#N)c1)C1CC1 ZINC000491404265 332205253 /nfs/dbraw/zinc/20/52/53/332205253.db2.gz AXMRXGUIYFMZEY-UHFFFAOYSA-N 0 1 268.360 2.967 20 30 CFEDMN C[C@H](C#N)CN(C)CC1CCN(C(=O)OC(C)(C)C)CC1 ZINC000491427832 332209694 /nfs/dbraw/zinc/20/96/94/332209694.db2.gz JSNCIARJEXVXJZ-CYBMUJFWSA-N 0 1 295.427 2.725 20 30 CFEDMN C#C[C@H](NC(=O)c1cccc2n[nH]cc21)c1ccc(F)cc1 ZINC000491736510 332316721 /nfs/dbraw/zinc/31/67/21/332316721.db2.gz NKERPWMDJQQDFS-HNNXBMFYSA-N 0 1 293.301 2.806 20 30 CFEDMN C#C[C@H](NC(=O)NCc1nc2ccc(C)cc2[nH]1)C(C)(C)C ZINC000491787831 332350066 /nfs/dbraw/zinc/35/00/66/332350066.db2.gz WXQREYQMZQKTIP-AWEZNQCLSA-N 0 1 298.390 2.718 20 30 CFEDMN C[C@@H](NCC#Cc1cccc(Cl)c1)c1cn[nH]c1 ZINC000494674347 332482616 /nfs/dbraw/zinc/48/26/16/332482616.db2.gz PNDITRYFGGFYJV-LLVKDONJSA-N 0 1 259.740 2.765 20 30 CFEDMN CC(C)(C)OC(=O)NC(C)(C)CN1CCC(C#N)CC1 ZINC000495311097 332514533 /nfs/dbraw/zinc/51/45/33/332514533.db2.gz BECMXDRBAPLFQP-UHFFFAOYSA-N 0 1 281.400 2.525 20 30 CFEDMN CC(C)(C)OC(=O)NC(C)(C)CNCC1(C#N)CCC1 ZINC000496863010 332562683 /nfs/dbraw/zinc/56/26/83/332562683.db2.gz GNMQSSDLRWIKLT-UHFFFAOYSA-N 0 1 281.400 2.573 20 30 CFEDMN CC[C@H](CC#N)NC1CC2(C1)CN(C(=O)OC(C)(C)C)C2 ZINC000497013206 332567367 /nfs/dbraw/zinc/56/73/67/332567367.db2.gz FNFBJTDMYKQTRL-GFCCVEGCSA-N 0 1 293.411 2.668 20 30 CFEDMN C=C(C)COc1cccc(NC(=O)CN(C)CCC)c1 ZINC000517367229 333098071 /nfs/dbraw/zinc/09/80/71/333098071.db2.gz CZHXAMGTVHKPOG-UHFFFAOYSA-N 0 1 276.380 2.922 20 30 CFEDMN C=CCN1CC[C@H](N(CC)Cc2ccc(C)cc2)C1=O ZINC000517544440 333101749 /nfs/dbraw/zinc/10/17/49/333101749.db2.gz MESPIRCHUGSVIU-INIZCTEOSA-N 0 1 272.392 2.604 20 30 CFEDMN C#CCN[C@@H](C)c1ccc(Br)cc1OC ZINC000190450762 333207107 /nfs/dbraw/zinc/20/71/07/333207107.db2.gz YMBQYZDDERVFJD-VIFPVBQESA-N 0 1 268.154 2.742 20 30 CFEDMN CC(C)n1cc(C(=O)C(C#N)c2nc3ccccc3[nH]2)cn1 ZINC000191436490 333219704 /nfs/dbraw/zinc/21/97/04/333219704.db2.gz NAYTZLWZPSKREU-LBPRGKRZSA-N 0 1 293.330 2.830 20 30 CFEDMN C=C(C)CN(CC)C(=O)CN(C)[C@@H]1C[C@@H](OCC)C1(C)C ZINC000524621193 333369155 /nfs/dbraw/zinc/36/91/55/333369155.db2.gz YGSFFIYMMJFXTK-HUUCEWRRSA-N 0 1 296.455 2.546 20 30 CFEDMN O=C(Nc1nnc2ccccn21)c1ccc(O)c(Cl)c1 ZINC000073921663 333980431 /nfs/dbraw/zinc/98/04/31/333980431.db2.gz XIVYDCYIXUIHPB-UHFFFAOYSA-N 0 1 288.694 2.725 20 30 CFEDMN C=CCC[C@@H](NC(=O)CCc1nc[nH]n1)c1ccccc1 ZINC000133852991 334064719 /nfs/dbraw/zinc/06/47/19/334064719.db2.gz WOHAEGJNIAGWBE-CQSZACIVSA-N 0 1 284.363 2.561 20 30 CFEDMN OCCCC[N@@H+](CC#Cc1ccccc1Cl)C1CC1 ZINC000135096853 334115116 /nfs/dbraw/zinc/11/51/16/334115116.db2.gz LVJWWPJGRCGOLF-UHFFFAOYSA-N 0 1 277.795 2.928 20 30 CFEDMN C[C@@H](C(=O)N(C)C1(C#N)CCC(C)CC1)N1[C@H](C)C[C@H]1C ZINC000547769164 334116185 /nfs/dbraw/zinc/11/61/85/334116185.db2.gz CERDJCKMKYXUNU-QJNCVLDKSA-N 0 1 291.439 2.788 20 30 CFEDMN C[C@@H](C(=O)N(C)C1(C#N)CCC(C)CC1)N1[C@@H](C)C[C@@H]1C ZINC000547769166 334116229 /nfs/dbraw/zinc/11/62/29/334116229.db2.gz CERDJCKMKYXUNU-WHJSIAKGSA-N 0 1 291.439 2.788 20 30 CFEDMN CC[C@H](CC#N)NC[C@@H](O)COc1cccc2ccccc21 ZINC000564341516 334141119 /nfs/dbraw/zinc/14/11/19/334141119.db2.gz CHVLZMMUHBFTIV-HZPDHXFCSA-N 0 1 298.386 2.861 20 30 CFEDMN CC#CCN(C)CCOc1ccc(OC(F)(F)F)cc1 ZINC000550490906 334223359 /nfs/dbraw/zinc/22/33/59/334223359.db2.gz FKBUFXALYFNYAW-UHFFFAOYSA-N 0 1 287.281 2.919 20 30 CFEDMN C[C@@H]1CN(CC#Cc2ccc(C(F)(F)F)cc2)CC[C@H]1O ZINC000249566739 334336723 /nfs/dbraw/zinc/33/67/23/334336723.db2.gz NEHWNIGVYQMFEF-IUODEOHRSA-N 0 1 297.320 2.760 20 30 CFEDMN CC[C@H]1CCCCN1C(=O)CN1CCC(CCC#N)CC1 ZINC000576982940 335273271 /nfs/dbraw/zinc/27/32/71/335273271.db2.gz DRTKDVHMKDYHLX-INIZCTEOSA-N 0 1 291.439 2.793 20 30 CFEDMN C=CCCN1CC[C@H]1CN(C)C(=O)c1ccoc1Cl ZINC001085565721 782098872 /nfs/dbraw/zinc/09/88/72/782098872.db2.gz RBTZMKZOXNZJDZ-NSHDSACASA-N 0 1 282.771 2.655 20 30 CFEDMN C=C(C)CN1CC[C@H]1CN(C)C(=O)c1ccc(F)c(F)c1 ZINC001085641856 782123128 /nfs/dbraw/zinc/12/31/28/782123128.db2.gz YMOKDPCVSVKGMF-ZDUSSCGKSA-N 0 1 294.345 2.687 20 30 CFEDMN C=C(C)CN1CC[C@@H]1CN(C)C(=O)c1cccnc1C1CC1 ZINC001085698062 782134707 /nfs/dbraw/zinc/13/47/07/782134707.db2.gz BZAFBEFBKRJZEZ-OAHLLOKOSA-N 0 1 299.418 2.681 20 30 CFEDMN C=CCN1CC[C@@H]1CN(C)C(=O)c1cn(C)c2ccccc12 ZINC001085704225 782136324 /nfs/dbraw/zinc/13/63/24/782136324.db2.gz KIFJWRNDXLYEJW-CQSZACIVSA-N 0 1 297.402 2.511 20 30 CFEDMN C=C(C)CN1CC[C@@H]1CN(C)C(=O)c1ccn2ccccc12 ZINC001085715706 782143022 /nfs/dbraw/zinc/14/30/22/782143022.db2.gz RJBXAIRPWYNZNG-OAHLLOKOSA-N 0 1 297.402 2.662 20 30 CFEDMN C=C(C)CN1CC[C@@H]1CN(C)C(=O)[C@@H]1CCC1(C)C ZINC001085775191 782155536 /nfs/dbraw/zinc/15/55/36/782155536.db2.gz ROXSMRJIGOTWEB-KGLIPLIRSA-N 0 1 264.413 2.531 20 30 CFEDMN CCOCC(C)(C)NCc1cccc(F)c1C#N ZINC000339367714 521670771 /nfs/dbraw/zinc/67/07/71/521670771.db2.gz JLBWBEYNSZSCHI-UHFFFAOYSA-N 0 1 250.317 2.602 20 30 CFEDMN C[C@](O)(CNC(=O)[C@H]1CCCN1C1CC1)C1CCCCC1 ZINC000330222105 534156029 /nfs/dbraw/zinc/15/60/29/534156029.db2.gz MEALZGQFAPGDKZ-WBVHZDCISA-N 0 1 294.439 2.901 20 30 CFEDMN C[C@@H](F)CCN1CCN([C@H](C#N)c2ccccc2)CC1 ZINC000351889248 534276424 /nfs/dbraw/zinc/27/64/24/534276424.db2.gz LFJQHWFSGYHHME-GDBMZVCRSA-N 0 1 275.371 2.617 20 30 CFEDMN CC(C)(C)[C@@H]1CCN(Cc2ccc(C#N)c(F)c2)C[C@H]1O ZINC000361866479 518944409 /nfs/dbraw/zinc/94/44/09/518944409.db2.gz BDTMRRMOSHWZED-GDBMZVCRSA-N 0 1 290.382 2.926 20 30 CFEDMN C#CCCN1CC[C@@H]1CN(C)C(=O)c1occc1C(C)C ZINC001085783535 782161897 /nfs/dbraw/zinc/16/18/97/782161897.db2.gz XLVKSISLNVCYIS-CQSZACIVSA-N 0 1 288.391 2.573 20 30 CFEDMN CCN(C(=O)c1ccn[nH]1)[C@H](C)c1ccc(C#N)cc1 ZINC000049221914 520076755 /nfs/dbraw/zinc/07/67/55/520076755.db2.gz QZWASRYQMAPOSL-LLVKDONJSA-N 0 1 268.320 2.505 20 30 CFEDMN Cc1noc([C@H]2CCCN2CCCC(C)(C)C#N)n1 ZINC000353569933 534480607 /nfs/dbraw/zinc/48/06/07/534480607.db2.gz HXVJRXVRQZJNSX-GFCCVEGCSA-N 0 1 262.357 2.845 20 30 CFEDMN CCN1C[C@H](C)N(C(=O)[C@H](C)c2cccc(C#N)c2)C[C@H]1C ZINC000360393362 521728908 /nfs/dbraw/zinc/72/89/08/521728908.db2.gz KPWAPNBTLOPQCZ-QLFBSQMISA-N 0 1 299.418 2.603 20 30 CFEDMN CO[C@]1(C)CCCN(Cc2cccc(C#N)c2F)C1 ZINC000230264952 521750244 /nfs/dbraw/zinc/75/02/44/521750244.db2.gz UTSGLGVBONVUIU-OAHLLOKOSA-N 0 1 262.328 2.698 20 30 CFEDMN CC[C@@H](C(=O)N=c1[nH]n(C(C)C)cc1C#N)c1ccccc1 ZINC000361913406 521827717 /nfs/dbraw/zinc/82/77/17/521827717.db2.gz JAWWFHTVKQEIHM-OAHLLOKOSA-N 0 1 296.374 2.890 20 30 CFEDMN CC[C@H](NCc1ccc(C#N)c(OC)c1)c1cnn(C)c1 ZINC000353625884 522640687 /nfs/dbraw/zinc/64/06/87/522640687.db2.gz HHHKEKUMJMLJFU-HNNXBMFYSA-N 0 1 284.363 2.541 20 30 CFEDMN CN(CCc1nccs1)Cc1cccc(C#N)c1F ZINC000340924346 522994159 /nfs/dbraw/zinc/99/41/59/522994159.db2.gz XETTYWZTEPHUHA-UHFFFAOYSA-N 0 1 275.352 2.828 20 30 CFEDMN CC[C@H]1CN(CCCOc2cccc(C#N)c2)C[C@H](C)O1 ZINC000156337302 523274532 /nfs/dbraw/zinc/27/45/32/523274532.db2.gz ZTMLHFHHSVLZGL-HOCLYGCPSA-N 0 1 288.391 2.826 20 30 CFEDMN CC[C@@H]1CCN([C@H](C)C(=O)Nc2ccccc2C#N)C1 ZINC000246319007 523334543 /nfs/dbraw/zinc/33/45/43/523334543.db2.gz WUVIVODTUPBGNL-CHWSQXEVSA-N 0 1 271.364 2.617 20 30 CFEDMN CNC(=O)C[C@H](NCc1ccc(C#N)s1)c1ccccc1 ZINC000360762369 524075717 /nfs/dbraw/zinc/07/57/17/524075717.db2.gz FNVHGZIDUFEKET-HNNXBMFYSA-N 0 1 299.399 2.587 20 30 CFEDMN O=C(N[C@@H]1CC12CCCCC2)[C@H]1CCc2[nH]nnc2C1 ZINC000329069235 534759373 /nfs/dbraw/zinc/75/93/73/534759373.db2.gz YAUUIRGEVMHQAK-GXFFZTMASA-N 0 1 274.368 2.589 20 30 CFEDMN O=C(N[C@@H]1CC12CCCCC2)[C@H]1CCc2nn[nH]c2C1 ZINC000329069235 534759374 /nfs/dbraw/zinc/75/93/74/534759374.db2.gz YAUUIRGEVMHQAK-GXFFZTMASA-N 0 1 274.368 2.589 20 30 CFEDMN N#Cc1ccc(F)c(CNC(=O)[C@H]2CCCN2C2CC2)c1 ZINC000330242504 534784003 /nfs/dbraw/zinc/78/40/03/534784003.db2.gz WLQVCKZEEXEAKS-OAHLLOKOSA-N 0 1 287.338 2.781 20 30 CFEDMN C[C@H](NCc1ccc(C#N)c(F)c1)c1ccncc1 ZINC000192146926 525435359 /nfs/dbraw/zinc/43/53/59/525435359.db2.gz SIHYDCJFIKYDMN-NSHDSACASA-N 0 1 255.296 2.943 20 30 CFEDMN C[C@@H]1Cc2ccccc2CN1Cc1cc(C#N)n(C)c1 ZINC000191399850 525526849 /nfs/dbraw/zinc/52/68/49/525526849.db2.gz WBYYVAUIHROXLO-CYBMUJFWSA-N 0 1 265.360 2.844 20 30 CFEDMN CS[C@@H]1CCN(Cc2cccc(C#N)c2F)C1 ZINC000336237198 525841955 /nfs/dbraw/zinc/84/19/55/525841955.db2.gz RSQRVHIKOLDXTH-GFCCVEGCSA-N 0 1 250.342 2.635 20 30 CFEDMN Cc1c([C@@H](C)NCc2ccc(C#N)c(F)c2)cnn1C ZINC000192180913 525897183 /nfs/dbraw/zinc/89/71/83/525897183.db2.gz FKJUFUKRYJYIQH-SNVBAGLBSA-N 0 1 272.327 2.590 20 30 CFEDMN Cc1cc(C#N)cc(NC(=O)N2CCN3CCCC[C@@H]3C2)c1 ZINC000335001492 526182055 /nfs/dbraw/zinc/18/20/55/526182055.db2.gz DNEZBDWTTPMKDJ-MRXNPFEDSA-N 0 1 298.390 2.569 20 30 CFEDMN Cc1cc(C#N)cc(NC(=O)N[C@H]2CCCc3cn[nH]c32)c1 ZINC000334992868 526184113 /nfs/dbraw/zinc/18/41/13/526184113.db2.gz WBGKIXSYJAGIGP-AWEZNQCLSA-N 0 1 295.346 2.789 20 30 CFEDMN C=C(C)CN(Cc1ccc(CO)o1)C[C@@H](O)CCC(C)C ZINC000352792815 526558197 /nfs/dbraw/zinc/55/81/97/526558197.db2.gz NRUSPQDRVMKQHT-HNNXBMFYSA-N 0 1 295.423 2.947 20 30 CFEDMN N#Cc1ccc(CN2CCCC[C@H]2c2nnc[nH]2)cc1F ZINC000192142212 526611125 /nfs/dbraw/zinc/61/11/25/526611125.db2.gz WQLGWGRCQAVCFS-AWEZNQCLSA-N 0 1 285.326 2.543 20 30 CFEDMN N#Cc1ccc(CN[C@@H]2C[C@H](CO)c3ccccc32)s1 ZINC000364983658 526627186 /nfs/dbraw/zinc/62/71/86/526627186.db2.gz BNHHJQIIQYPWTA-BDJLRTHQSA-N 0 1 284.384 2.930 20 30 CFEDMN N#Cc1ccc(F)c(CNC(=O)c2n[nH]c3ccccc32)c1 ZINC000080793308 526639239 /nfs/dbraw/zinc/63/92/39/526639239.db2.gz MXLQQYQCCDKTIR-UHFFFAOYSA-N 0 1 294.289 2.504 20 30 CFEDMN N#Cc1ccc(NC(=O)CN2CCC[C@H]3CCC[C@@H]32)cc1 ZINC000087770989 526651276 /nfs/dbraw/zinc/65/12/76/526651276.db2.gz ONPKNMFKCCMCJC-ZBFHGGJFSA-N 0 1 283.375 2.761 20 30 CFEDMN N#Cc1cccc(C(=O)Nc2ccc3nc[nH]c3c2)c1 ZINC000074819845 526700624 /nfs/dbraw/zinc/70/06/24/526700624.db2.gz TYCQHLNYRAJPHB-UHFFFAOYSA-N 0 1 262.272 2.687 20 30 CFEDMN C=CCOCC(=O)Nc1ccc2nc(C3CCC3)[nH]c2c1 ZINC000354848156 526724313 /nfs/dbraw/zinc/72/43/13/526724313.db2.gz VURMFYOWGMGYBG-UHFFFAOYSA-N 0 1 285.347 2.972 20 30 CFEDMN N#Cc1ccnc(NCCN2CCCCC2)c1Cl ZINC000236057058 526761612 /nfs/dbraw/zinc/76/16/12/526761612.db2.gz HGBQVJJTPIBDLB-UHFFFAOYSA-N 0 1 264.760 2.504 20 30 CFEDMN C=CCOc1ccccc1CN1CCC[C@H](n2cncn2)C1 ZINC000353321595 526932354 /nfs/dbraw/zinc/93/23/54/526932354.db2.gz RIMAPCLWXRPBGS-INIZCTEOSA-N 0 1 298.390 2.680 20 30 CFEDMN C=CCOc1ccccc1CN1CCSC[C@@H]1CCO ZINC000355082131 526933697 /nfs/dbraw/zinc/93/36/97/526933697.db2.gz PPRZVESKFPJIAT-HNNXBMFYSA-N 0 1 293.432 2.551 20 30 CFEDMN C=CCC(C)(C)C(=O)N[C@H](C)c1n[nH]c(C(C)C)n1 ZINC000344381057 526994928 /nfs/dbraw/zinc/99/49/28/526994928.db2.gz NUWVFVDEJMLCES-SNVBAGLBSA-N 0 1 264.373 2.708 20 30 CFEDMN Cc1nn(C)cc1[C@H](C)NCc1ccc(C#N)c(F)c1 ZINC000361860165 527699971 /nfs/dbraw/zinc/69/99/71/527699971.db2.gz KNJSYJWKJDROCJ-JTQLQIEISA-N 0 1 272.327 2.590 20 30 CFEDMN CCC[C@H]1CCC[C@@H]1C(=O)N=c1[nH]n(C(C)C)cc1C#N ZINC000410544461 528379191 /nfs/dbraw/zinc/37/91/91/528379191.db2.gz WDMKVXHXPSTWNL-JSGCOSHPSA-N 0 1 288.395 2.912 20 30 CFEDMN CCC1(CC)CCN(C([O-])=[NH+][C@H]2CCn3ccnc3C2)C1 ZINC000330202217 529043775 /nfs/dbraw/zinc/04/37/75/529043775.db2.gz YYZIFVOPPSBCHM-ZDUSSCGKSA-N 0 1 290.411 2.624 20 30 CFEDMN CC[C@@H](C#N)S(=O)(=O)Nc1cc(F)c(F)cc1Cl ZINC000334896141 529270366 /nfs/dbraw/zinc/27/03/66/529270366.db2.gz JRTIHMVAGYGRMZ-LURJTMIESA-N 0 1 294.710 2.662 20 30 CFEDMN CC(C)CO[C@@H]1CCN(CC#Cc2ccccc2)C1 ZINC000192070845 535202786 /nfs/dbraw/zinc/20/27/86/535202786.db2.gz OECWJTNQLIIXOV-QGZVFWFLSA-N 0 1 257.377 2.785 20 30 CFEDMN CC[C@@H](C)N1CCN(C(=O)Nc2cccc(C#N)c2)CC1 ZINC000243822952 535561906 /nfs/dbraw/zinc/56/19/06/535561906.db2.gz QWHUCYJZCKVKJZ-CYBMUJFWSA-N 0 1 286.379 2.506 20 30 CFEDMN CCO[C@@H]1CCC[C@H]1NCc1ccc(F)cc1C#N ZINC000452028271 535753550 /nfs/dbraw/zinc/75/35/50/535753550.db2.gz WRJPYCBSOWEEKT-HUUCEWRRSA-N 0 1 262.328 2.745 20 30 CFEDMN CCO[C@@H]1CCC[C@H]1NCc1cccc(F)c1C#N ZINC000452013040 535754880 /nfs/dbraw/zinc/75/48/80/535754880.db2.gz GHRLFHAZUCZTBG-HUUCEWRRSA-N 0 1 262.328 2.745 20 30 CFEDMN N#Cc1ccc(O)c(NC(=O)[C@@]23CCO[C@@H]2CCCC3)c1 ZINC000935107542 649876346 /nfs/dbraw/zinc/87/63/46/649876346.db2.gz IFNLRTBISFMFNO-ZBFHGGJFSA-N 0 1 286.331 2.552 20 30 CFEDMN Cc1ccc([C@H](C)C(=O)[C@@H](C#N)c2cc(C)nc(C)n2)o1 ZINC000744026217 574049799 /nfs/dbraw/zinc/04/97/99/574049799.db2.gz KXDORRKMLSGDHR-AAEUAGOBSA-N 0 1 283.331 2.975 20 30 CFEDMN CC(=NNC1=N[C@@H]2CCCC[C@H]2N1)c1ccc(Cl)s1 ZINC000753933203 574055288 /nfs/dbraw/zinc/05/52/88/574055288.db2.gz DDHUBWGBTDJHEZ-NXEZZACHSA-N 0 1 296.827 2.986 20 30 CFEDMN Fc1c(Cl)cccc1C=NNC1=N[C@@H]2CCCC[C@H]2N1 ZINC000753934208 574055868 /nfs/dbraw/zinc/05/58/68/574055868.db2.gz HJRQPCPGEAHXGX-VXGBXAGGSA-N 0 1 294.761 2.673 20 30 CFEDMN Fc1ccc(CC=CN=NC2=N[C@@H]3CCCC[C@@H]3N2)cc1 ZINC000753935674 574056220 /nfs/dbraw/zinc/05/62/20/574056220.db2.gz PFPJTFJKVCXBMY-ALLGHIKGSA-N 0 1 286.354 2.685 20 30 CFEDMN CC(=NNC1=N[C@@H]2CCCC[C@H]2N1)c1cc(C)sc1C ZINC000753937375 574056650 /nfs/dbraw/zinc/05/66/50/574056650.db2.gz DEVWVYZBEBGETM-ZIAGYGMSSA-N 0 1 290.436 2.949 20 30 CFEDMN C(=CN=NC1=N[C@@H]2CCCC[C@H]2N1)Cc1ccccc1 ZINC000753937384 574056678 /nfs/dbraw/zinc/05/66/78/574056678.db2.gz XENNPAWABFFNET-GLVJSXRJSA-N 0 1 268.364 2.546 20 30 CFEDMN Fc1cccc(Cl)c1C=NNC1=N[C@H]2CCCC[C@@H]2N1 ZINC000753939839 574057014 /nfs/dbraw/zinc/05/70/14/574057014.db2.gz RGFRQZLWKXWUQJ-STQMWFEESA-N 0 1 294.761 2.673 20 30 CFEDMN COc1ccccc1CC=CN=NC1=N[C@H]2CCCC[C@H]2N1 ZINC000753940310 574057354 /nfs/dbraw/zinc/05/73/54/574057354.db2.gz UCRYWKQNETVSOM-YPYMEEIRSA-N 0 1 298.390 2.554 20 30 CFEDMN CCC(C)(C)N(C)Cc1nc2ccccc2c(=O)n1CC#N ZINC000744402075 574072414 /nfs/dbraw/zinc/07/24/14/574072414.db2.gz FAKFBYWVBSNKGU-UHFFFAOYSA-N 0 1 298.390 2.540 20 30 CFEDMN CC(=NNc1ccc(C)cn1)c1cc(O)cc(O)c1 ZINC000753697632 574072706 /nfs/dbraw/zinc/07/27/06/574072706.db2.gz OVHHSUIVNQWBDS-UHFFFAOYSA-N 0 1 257.293 2.637 20 30 CFEDMN C[C@@H](C#N)Oc1ccc(CN2CC(C)(C)OC[C@@H]2C)cc1 ZINC000754157125 574078842 /nfs/dbraw/zinc/07/88/42/574078842.db2.gz YOHDFYOBBPJKEI-KBPBESRZSA-N 0 1 288.391 2.977 20 30 CFEDMN CC(=NNCCN1CCCCC1)c1cc(F)c(F)c(F)c1 ZINC000730433688 574080991 /nfs/dbraw/zinc/08/09/91/574080991.db2.gz SGQCNHVYGDIANA-UHFFFAOYSA-N 0 1 299.340 2.903 20 30 CFEDMN CC(C)[N@@H+]1CC(N=Nc2cccc(C(=O)[O-])c2)[C@@H](C)C1 ZINC000754255749 574084519 /nfs/dbraw/zinc/08/45/19/574084519.db2.gz RTSWFIZQVLLZNT-NSHDSACASA-N 0 1 275.352 2.513 20 30 CFEDMN C#C[C@H](CC)NC(=O)[C@H]1CCCCN1Cc1ccccc1 ZINC000754390019 574093453 /nfs/dbraw/zinc/09/34/53/574093453.db2.gz IVVSOULVWSOXFR-IAGOWNOFSA-N 0 1 284.403 2.569 20 30 CFEDMN C=CC[N@@H+](Cc1ccccc1F)C[C@@H]1CCN(C(=O)[O-])C1 ZINC000738492798 574095228 /nfs/dbraw/zinc/09/52/28/574095228.db2.gz UJVIMCVLZITLFV-ZDUSSCGKSA-N 0 1 292.354 2.814 20 30 CFEDMN C=CC[N@@H+](Cc1cccs1)C[C@@H]1CCN(C(=O)[O-])C1 ZINC000738493192 574095359 /nfs/dbraw/zinc/09/53/59/574095359.db2.gz YOOFYDJHDDKYJS-LBPRGKRZSA-N 0 1 280.393 2.736 20 30 CFEDMN C=CCCC[N@@H+]1CCCC[C@@H]1[C@H]1CCCN1C(=O)[O-] ZINC000738493922 574095878 /nfs/dbraw/zinc/09/58/78/574095878.db2.gz TWKNYOQWBGCKSK-ZIAGYGMSSA-N 0 1 266.385 2.950 20 30 CFEDMN Cc1ccc(O)c(C=NNc2ccc(C(F)(F)F)cn2)n1 ZINC000728776995 574108575 /nfs/dbraw/zinc/10/85/75/574108575.db2.gz CZSIFIGZXSZCAP-UHFFFAOYSA-N 0 1 296.252 2.955 20 30 CFEDMN COc1ccc(C=NNc2ccc(F)cn2)cc1C ZINC000731317748 574116101 /nfs/dbraw/zinc/11/61/01/574116101.db2.gz BJOCQYFJAVBDFU-UHFFFAOYSA-N 0 1 259.284 2.984 20 30 CFEDMN COc1ccc(C(C)=NNc2ccc(F)cn2)c(O)c1 ZINC000731317977 574116275 /nfs/dbraw/zinc/11/62/75/574116275.db2.gz GVEJVPOOFKZNHH-UHFFFAOYSA-N 0 1 275.283 2.771 20 30 CFEDMN C[C@@H](C#N)Oc1ccc(C=NNc2ccc(F)cn2)cc1 ZINC000731321045 574116613 /nfs/dbraw/zinc/11/66/13/574116613.db2.gz CEGZRTNPXBYFJP-NSHDSACASA-N 0 1 284.294 2.958 20 30 CFEDMN CN(C)c1nc(Cl)c(C=NNc2ccc(F)cn2)s1 ZINC000731318667 574116683 /nfs/dbraw/zinc/11/66/83/574116683.db2.gz MUQGAKOLWWVXHQ-UHFFFAOYSA-N 0 1 299.762 2.843 20 30 CFEDMN Oc1cccc2c1CCC2=NNc1ccc(F)cn1 ZINC000731321699 574116790 /nfs/dbraw/zinc/11/67/90/574116790.db2.gz OCYJSFJXLLLSEF-UHFFFAOYSA-N 0 1 257.268 2.689 20 30 CFEDMN Cc1ccc(NN=C2CCOc3ccc(F)cc32)nn1 ZINC000731558125 574123598 /nfs/dbraw/zinc/12/35/98/574123598.db2.gz JSDSPPUEMOSKRL-UHFFFAOYSA-N 0 1 272.283 2.523 20 30 CFEDMN Cc1cccc(C=NNc2ccccc2S(C)(=O)=O)c1 ZINC000731934401 574135067 /nfs/dbraw/zinc/13/50/67/574135067.db2.gz ZCPOIGXXMKHGDX-UHFFFAOYSA-N 0 1 288.372 2.845 20 30 CFEDMN CCCN(C)CC(=O)N(CCC#N)c1ccc(C)cc1 ZINC000746171531 574139203 /nfs/dbraw/zinc/13/92/03/574139203.db2.gz ALACFFVVSIPJFR-UHFFFAOYSA-N 0 1 273.380 2.584 20 30 CFEDMN C=CC1CCN(Cn2ncc3cc(C(=O)OC)ccc32)CC1 ZINC000732181370 574145426 /nfs/dbraw/zinc/14/54/26/574145426.db2.gz SJLINDYEQIWEEX-UHFFFAOYSA-N 0 1 299.374 2.678 20 30 CFEDMN C#CCN(CC)Cc1cc(Cl)c2c(c1)OCCCO2 ZINC000746456899 574149741 /nfs/dbraw/zinc/14/97/41/574149741.db2.gz QZRBKLKIXCOWMM-UHFFFAOYSA-N 0 1 279.767 2.956 20 30 CFEDMN C(=NNCCN1CCCCC1)c1coc2ccccc12 ZINC000746563456 574155164 /nfs/dbraw/zinc/15/51/64/574155164.db2.gz AQVMZXHFZHEYPN-UHFFFAOYSA-N 0 1 271.364 2.842 20 30 CFEDMN Cc1cc(C(C#N)C(=O)CC[C@H]2CCCCO2)nc(C)n1 ZINC000732495132 574158848 /nfs/dbraw/zinc/15/88/48/574158848.db2.gz RDTWRTKXQMXXAB-KGLIPLIRSA-N 0 1 287.363 2.619 20 30 CFEDMN NC(=O)c1cccc(C=NN=c2[nH]c3ccccc3s2)c1 ZINC000755463907 574163541 /nfs/dbraw/zinc/16/35/41/574163541.db2.gz GTROBNLHSPTQAF-UHFFFAOYSA-N 0 1 296.355 2.841 20 30 CFEDMN NC(=O)c1cccc(C=[NH+][N-]c2nc3ccccc3s2)c1 ZINC000755463907 574163544 /nfs/dbraw/zinc/16/35/44/574163544.db2.gz GTROBNLHSPTQAF-UHFFFAOYSA-N 0 1 296.355 2.841 20 30 CFEDMN CCC(=NNc1ccc([N+](=O)[O-])cc1)c1nccn1C ZINC000755461571 574163852 /nfs/dbraw/zinc/16/38/52/574163852.db2.gz GXADVPQJICJZTD-UHFFFAOYSA-N 0 1 273.296 2.555 20 30 CFEDMN Cc1nc[nH]c1C=NNC(=S)Nc1ccc(C)c(C)c1 ZINC000755505263 574166273 /nfs/dbraw/zinc/16/62/73/574166273.db2.gz RLYFPHVIPUBGQM-UHFFFAOYSA-N 0 1 287.392 2.655 20 30 CFEDMN CCc1cc(CNCc2ccc(O[C@@H](C)C#N)cc2)[nH]n1 ZINC000738431757 574169300 /nfs/dbraw/zinc/16/93/00/574169300.db2.gz WTDGAPYNEVUJAO-LBPRGKRZSA-N 0 1 284.363 2.553 20 30 CFEDMN C=CCCCCC[N@H+](C)C[C@H]1CCN(C(=O)[O-])C1 ZINC000738493796 574171575 /nfs/dbraw/zinc/17/15/75/574171575.db2.gz RRRWCJGKQCVMFE-CYBMUJFWSA-N 0 1 254.374 2.665 20 30 CFEDMN Oc1c(F)cccc1C=NNc1cnc2ccccc2n1 ZINC000755682726 574178108 /nfs/dbraw/zinc/17/81/08/574178108.db2.gz JZHQRSVWQQBYPO-UHFFFAOYSA-N 0 1 282.278 2.921 20 30 CFEDMN CC(=O)Nc1ccccc1CN=Nc1ccc(F)cn1 ZINC000755705161 574179274 /nfs/dbraw/zinc/17/92/74/574179274.db2.gz FRUJZIROANDQCA-UHFFFAOYSA-N 0 1 272.283 2.625 20 30 CFEDMN Cc1ccc(NN=Cc2cnc([C@@H]3CCCO3)s2)nn1 ZINC000755699344 574179378 /nfs/dbraw/zinc/17/93/78/574179378.db2.gz NWVYFBQNIMCDFZ-NSHDSACASA-N 0 1 289.364 2.539 20 30 CFEDMN Cc1nn(C)cc1C=NNc1cccc(C(F)(F)F)n1 ZINC000755738342 574183181 /nfs/dbraw/zinc/18/31/81/574183181.db2.gz HRSDSJINSYYIHY-UHFFFAOYSA-N 0 1 283.257 2.588 20 30 CFEDMN CC(C)OCC(=O)C(C#N)c1nc(C(C)C)cs1 ZINC000747196625 574186997 /nfs/dbraw/zinc/18/69/97/574186997.db2.gz OOBNHVCQRVIEAG-SNVBAGLBSA-N 0 1 266.366 2.868 20 30 CFEDMN C(=NO[C@H]1CCCCO1)c1cc(-c2ccccc2)[nH]n1 ZINC000755822395 574189915 /nfs/dbraw/zinc/18/99/15/574189915.db2.gz SHQOXRLTHFVCTB-HNNXBMFYSA-N 0 1 271.320 2.954 20 30 CFEDMN CC(=NO[C@@H]1CCCCO1)c1cc(F)cc(F)c1O ZINC000755824731 574190398 /nfs/dbraw/zinc/19/03/98/574190398.db2.gz RWEUCTSDMYOBDP-GFCCVEGCSA-N 0 1 271.263 2.938 20 30 CFEDMN C[C@@H](c1ccc(C#N)cc1)[N@H+]1CCC[C@H](CNC(=O)[O-])C1 ZINC000739054086 574194969 /nfs/dbraw/zinc/19/49/69/574194969.db2.gz OPVCTRMABGUJIZ-GXTWGEPZSA-N 0 1 287.363 2.599 20 30 CFEDMN COc1ccc(CN=Nc2cc(C)ccn2)cc1F ZINC000755901433 574195433 /nfs/dbraw/zinc/19/54/33/574195433.db2.gz WCMWNJGLHVDQQS-UHFFFAOYSA-N 0 1 259.284 2.984 20 30 CFEDMN COc1ccc(C(C)=NNc2cc(C)ccn2)c(O)c1 ZINC000755902135 574195682 /nfs/dbraw/zinc/19/56/82/574195682.db2.gz ZOLMIUSKLKSFEW-UHFFFAOYSA-N 0 1 271.320 2.940 20 30 CFEDMN Cc1ccnc(NN=Cc2ccc(OCC#N)cc2)c1 ZINC000755903860 574195955 /nfs/dbraw/zinc/19/59/55/574195955.db2.gz SRVXFJDXOQFBPP-UHFFFAOYSA-N 0 1 266.304 2.738 20 30 CFEDMN N#CC(C(=O)Nc1ccccc1)C(=O)[C@@H]1CC12CCCC2 ZINC000747477509 574197589 /nfs/dbraw/zinc/19/75/89/574197589.db2.gz AYHXWMVBCRTOHL-KBPBESRZSA-N 0 1 282.343 2.914 20 30 CFEDMN N#Cc1ccc([C@@H](C(=O)[O-])[N@H+]2CCc3sccc3C2)cc1 ZINC000739104486 574198654 /nfs/dbraw/zinc/19/86/54/574198654.db2.gz BDKMMWTWWKSYLI-HNNXBMFYSA-N 0 1 298.367 2.804 20 30 CFEDMN CCc1nn(C)c(CC)c1CNCC#Cc1ccccc1 ZINC000756028429 574205203 /nfs/dbraw/zinc/20/52/03/574205203.db2.gz FJYVEJTUBOENDL-UHFFFAOYSA-N 0 1 281.403 2.686 20 30 CFEDMN CC1(C2CCN(Cc3ccccc3C#N)CC2)OCCO1 ZINC000756082680 574208235 /nfs/dbraw/zinc/20/82/35/574208235.db2.gz VKYGJMRQLGEHFF-UHFFFAOYSA-N 0 1 286.375 2.533 20 30 CFEDMN CCC[N@@H+](Cc1ccc(C#N)cc1)[C@@H]1CCN(C(=O)[O-])C1 ZINC000739358710 574210152 /nfs/dbraw/zinc/21/01/52/574210152.db2.gz FTJQZKFHYAFAJK-OAHLLOKOSA-N 0 1 287.363 2.523 20 30 CFEDMN OCc1ccc(C=NNc2nccc3sccc32)o1 ZINC000739411848 574212370 /nfs/dbraw/zinc/21/23/70/574212370.db2.gz PSFLUARYZYNLQW-UHFFFAOYSA-N 0 1 273.317 2.828 20 30 CFEDMN Cc1ccc(C=NN=c2cc[nH]c(N(C)C)n2)c(C)c1 ZINC000739418351 574213071 /nfs/dbraw/zinc/21/30/71/574213071.db2.gz OAMALPAAUKHKID-UHFFFAOYSA-N 0 1 269.352 2.605 20 30 CFEDMN Cc1nn(C)c(C)c1C=NNc1cccc(C(F)(F)F)n1 ZINC000739421492 574213402 /nfs/dbraw/zinc/21/34/02/574213402.db2.gz JUSWJKHBWKTDMG-UHFFFAOYSA-N 0 1 297.284 2.897 20 30 CFEDMN CC#CCN1CCC[C@H](C)[C@H]1CNC(=O)OC(C)(C)C ZINC000747971498 574222847 /nfs/dbraw/zinc/22/28/47/574222847.db2.gz YGFUKINNEOMEQU-UONOGXRCSA-N 0 1 280.412 2.635 20 30 CFEDMN N#Cc1ccc(O)c(NC(=O)[C@@H]2Cc3ccccc3S2)c1 ZINC000748005569 574224293 /nfs/dbraw/zinc/22/42/93/574224293.db2.gz VXZYUKPKACPLHC-HNNXBMFYSA-N 0 1 296.351 2.919 20 30 CFEDMN C[C@H]1CCC[C@H](OCC(=O)Nc2cc(C#N)ccc2O)C1 ZINC000748005435 574224423 /nfs/dbraw/zinc/22/44/23/574224423.db2.gz KKASLFUHEWNMLC-AAEUAGOBSA-N 0 1 288.347 2.798 20 30 CFEDMN C[C@@H]1CCCC[C@@H]1OCC(=O)Nc1cc(C#N)ccc1O ZINC000748003452 574224433 /nfs/dbraw/zinc/22/44/33/574224433.db2.gz VXVBTSYQLUFQNV-ABAIWWIYSA-N 0 1 288.347 2.798 20 30 CFEDMN C=CCC[C@@H]([NH2+]Cc1coc(-c2ccccc2)n1)C(=O)[O-] ZINC000756379965 574231281 /nfs/dbraw/zinc/23/12/81/574231281.db2.gz PNOLIZNXTGJTJY-CQSZACIVSA-N 0 1 286.331 2.851 20 30 CFEDMN Cc1ccc(NN=Cc2csc(-c3ccccn3)n2)nn1 ZINC000729935508 574238481 /nfs/dbraw/zinc/23/84/81/574238481.db2.gz BNKJSZGGJPRNHK-UHFFFAOYSA-N 0 1 296.359 2.750 20 30 CFEDMN C#CCN1CCC[C@H]1COC(=O)c1cc(C)ccc1C ZINC000756541440 574244810 /nfs/dbraw/zinc/24/48/10/574244810.db2.gz BVGGGZLTHFKLPV-HNNXBMFYSA-N 0 1 271.360 2.558 20 30 CFEDMN C#CCN1CCC[C@H]1COC(=O)/C=C(\C)C(C)(C)C ZINC000756550664 574246332 /nfs/dbraw/zinc/24/63/32/574246332.db2.gz CTXRQHBVIUAHJI-CMPYXILNSA-N 0 1 263.381 2.620 20 30 CFEDMN N#Cc1ccc(C[N@H+](C[C@@H]2CCN(C(=O)[O-])C2)C2CC2)cc1 ZINC000740312138 574246629 /nfs/dbraw/zinc/24/66/29/574246629.db2.gz BTCQCCAJZPULNH-OAHLLOKOSA-N 0 1 299.374 2.523 20 30 CFEDMN Cc1ccc([C@@H](C)C(=O)Nc2cc(C#N)ccc2O)o1 ZINC000748410259 574250779 /nfs/dbraw/zinc/25/07/79/574250779.db2.gz GCUIJLXJBZFCAQ-SNVBAGLBSA-N 0 1 270.288 2.908 20 30 CFEDMN COc1ccc(C(=O)Nc2cc(C#N)ccc2O)cc1F ZINC000748410164 574250940 /nfs/dbraw/zinc/25/09/40/574250940.db2.gz CRWAABCSUXSOFX-UHFFFAOYSA-N 0 1 286.262 2.664 20 30 CFEDMN C[C@@H](Oc1ccccc1)C(=O)Nc1cc(C#N)ccc1O ZINC000748410631 574251317 /nfs/dbraw/zinc/25/13/17/574251317.db2.gz BHBXJYGNGCQDQE-LLVKDONJSA-N 0 1 282.299 2.670 20 30 CFEDMN CN(C)c1ccc(C(=O)Nc2cc(C#N)ccc2O)cc1F ZINC000748411024 574251506 /nfs/dbraw/zinc/25/15/06/574251506.db2.gz TXUDRIKFIPKQRQ-UHFFFAOYSA-N 0 1 299.305 2.721 20 30 CFEDMN Cc1nc(-c2ccccc2)[nH]c1C(=O)O[C@@H](C)CC#N ZINC000733708852 574253431 /nfs/dbraw/zinc/25/34/31/574253431.db2.gz BWEXGVOMRJIONK-JTQLQIEISA-N 0 1 269.304 2.844 20 30 CFEDMN COc1c(O)cccc1CN=Nc1cnnc2ccccc12 ZINC000733748050 574254825 /nfs/dbraw/zinc/25/48/25/574254825.db2.gz DFBXOPSRAGNFFO-UHFFFAOYSA-N 0 1 294.314 2.790 20 30 CFEDMN COc1cc(CN=Nc2cnnc3ccccc23)ccc1O ZINC000733750151 574255355 /nfs/dbraw/zinc/25/53/55/574255355.db2.gz OEUBLZYVWQRJBQ-UHFFFAOYSA-N 0 1 294.314 2.790 20 30 CFEDMN Cc1ccc(-c2cc(C(=O)OCCCCC#N)[nH]n2)o1 ZINC000733866516 574258908 /nfs/dbraw/zinc/25/89/08/574258908.db2.gz ITNJEJMWKSZXPE-UHFFFAOYSA-N 0 1 273.292 2.829 20 30 CFEDMN C[C@@H](C(=O)OCc1cccc(C#N)c1)N1[C@H](C)CC[C@H]1C ZINC000741015726 574277846 /nfs/dbraw/zinc/27/78/46/574277846.db2.gz DMSFQWGWXYAQAR-MCIONIFRSA-N 0 1 286.375 2.863 20 30 CFEDMN CC(C)[C@@H](C(=O)OCc1ccccc1C#N)N1CCCC1 ZINC000741014108 574277893 /nfs/dbraw/zinc/27/78/93/574277893.db2.gz QLGOVMRYKAFBPW-INIZCTEOSA-N 0 1 286.375 2.722 20 30 CFEDMN C[C@@H](OC(=O)c1ccc([N+](=O)[O-])[nH]1)c1ccc(C#N)cc1 ZINC000749062489 574278602 /nfs/dbraw/zinc/27/86/02/574278602.db2.gz DDAUFPQWGOIFKQ-SECBINFHSA-N 0 1 285.259 2.713 20 30 CFEDMN CC(=NNCCN1CCCCC1)c1ccsc1 ZINC000749104577 574279891 /nfs/dbraw/zinc/27/98/91/574279891.db2.gz NCYCDSODWLWTKY-UHFFFAOYSA-N 0 1 251.399 2.548 20 30 CFEDMN C=CCCOC(=O)c1ccc(N2CCN(CC)CC2)cc1 ZINC000741343421 574287643 /nfs/dbraw/zinc/28/76/43/574287643.db2.gz VEEMGTVQJHHQND-UHFFFAOYSA-N 0 1 288.391 2.561 20 30 CFEDMN C=C(Br)CN1CCC[C@@H]([C@@H]2CCOC2)C1 ZINC000749561316 574300177 /nfs/dbraw/zinc/30/01/77/574300177.db2.gz QDAJTYRYYBTVTM-VXGBXAGGSA-N 0 1 274.202 2.644 20 30 CFEDMN COc1ccc(CN=Nc2ccc(F)cn2)cc1C#N ZINC000741763544 574301631 /nfs/dbraw/zinc/30/16/31/574301631.db2.gz RKTSPEHNOCIYSA-UHFFFAOYSA-N 0 1 270.267 2.547 20 30 CFEDMN Cc1nc(C)c(C=NNc2cc(Cl)nc(C)n2)s1 ZINC000741766903 574301739 /nfs/dbraw/zinc/30/17/39/574301739.db2.gz QAJQCDWFPHYCCZ-UHFFFAOYSA-N 0 1 281.772 2.958 20 30 CFEDMN C=CC1CCN([C@H]2CCN(c3ccc(C)cc3)C2=O)CC1 ZINC000741783641 574303075 /nfs/dbraw/zinc/30/30/75/574303075.db2.gz CBGKPMOMEPHFEU-KRWDZBQOSA-N 0 1 284.403 2.998 20 30 CFEDMN COc1cccc(F)c1C(C)=NNCCN1CCCCC1 ZINC000741806880 574305000 /nfs/dbraw/zinc/30/50/00/574305000.db2.gz SGSPGRWBJWCGMD-UHFFFAOYSA-N 0 1 293.386 2.634 20 30 CFEDMN CCC(N=Nc1cccc([N+](=O)[O-])c1)c1cnn(C)c1 ZINC000741810390 574305403 /nfs/dbraw/zinc/30/54/03/574305403.db2.gz JCEGSQDPIMLTRL-UHFFFAOYSA-N 0 1 273.296 2.555 20 30 CFEDMN Cc1ccc2c(c1)C(=NN=c1cc[nH]c(N(C)C)n1)CC2 ZINC000739417829 574308634 /nfs/dbraw/zinc/30/86/34/574308634.db2.gz DMJDWPOZRMYPQE-UHFFFAOYSA-N 0 1 281.363 2.613 20 30 CFEDMN COc1ccc(CNCc2ccoc2C)cc1C#N ZINC000742367856 574324366 /nfs/dbraw/zinc/32/43/66/574324366.db2.gz LZHWNYGETJKOMK-UHFFFAOYSA-N 0 1 256.305 2.758 20 30 CFEDMN N#Cc1ccc(CNC[C@@H](O)c2c(F)cccc2Cl)o1 ZINC000742372694 574325578 /nfs/dbraw/zinc/32/55/78/574325578.db2.gz UBOKOMITADEPTD-CYBMUJFWSA-N 0 1 294.713 2.767 20 30 CFEDMN N#Cc1ccc(F)c(CNCc2ccc3[nH]cnc3c2)c1 ZINC000742381954 574326478 /nfs/dbraw/zinc/32/64/78/574326478.db2.gz UUBIDZCWUQPJDS-UHFFFAOYSA-N 0 1 280.306 2.863 20 30 CFEDMN N#Cc1ccc(F)c(CNCc2ccc3nc[nH]c3c2)c1 ZINC000742381954 574326480 /nfs/dbraw/zinc/32/64/80/574326480.db2.gz UUBIDZCWUQPJDS-UHFFFAOYSA-N 0 1 280.306 2.863 20 30 CFEDMN Cc1cc(N=NCc2cnc([C@@H]3CCCO3)s2)ncn1 ZINC000755726707 574326569 /nfs/dbraw/zinc/32/65/69/574326569.db2.gz GPTCJHPRZIFZDM-NSHDSACASA-N 0 1 289.364 2.539 20 30 CFEDMN Cc1cc(C=Nn2c(=O)c3ccccc3[nH]c2=S)c(C)[nH]1 ZINC000725859417 574335702 /nfs/dbraw/zinc/33/57/02/574335702.db2.gz NVJFHLCZXMVCPG-UHFFFAOYSA-N 0 1 298.371 2.512 20 30 CFEDMN Cc1noc(C)c1[C@@H](C)C(=O)C(C#N)c1cc(C)nc(C)n1 ZINC000750390615 574337596 /nfs/dbraw/zinc/33/75/96/574337596.db2.gz AIOXBQPRRNFRED-RNCFNFMXSA-N 0 1 298.346 2.678 20 30 CFEDMN N#Cc1ccc(COC(=O)c2c(F)cc(O)cc2F)cc1 ZINC000735951387 574343781 /nfs/dbraw/zinc/34/37/81/574343781.db2.gz XAVUZLRUYHZZPU-UHFFFAOYSA-N 0 1 289.237 2.899 20 30 CFEDMN C=CCN(C(=O)[C@@H](C)N1CCc2ccccc2C1)C(C)C ZINC000736073987 574349982 /nfs/dbraw/zinc/34/99/82/574349982.db2.gz GZPCCCZALISWGH-OAHLLOKOSA-N 0 1 286.419 2.856 20 30 CFEDMN C=C(Cl)C[N@@H+](CCC(=O)[O-])Cc1ccc(F)c(F)c1 ZINC000736094820 574350601 /nfs/dbraw/zinc/35/06/01/574350601.db2.gz XZFIPHNQIWHJQR-UHFFFAOYSA-N 0 1 289.709 2.994 20 30 CFEDMN C=C(Cl)C[N@H+](CCC(=O)[O-])Cc1ccc(F)c(F)c1 ZINC000736094820 574350605 /nfs/dbraw/zinc/35/06/05/574350605.db2.gz XZFIPHNQIWHJQR-UHFFFAOYSA-N 0 1 289.709 2.994 20 30 CFEDMN C[C@@H](C(=O)C(C#N)C(=O)Nc1ccccn1)C1CCCC1 ZINC000750691270 574351215 /nfs/dbraw/zinc/35/12/15/574351215.db2.gz YKVHIRIEXPBALJ-YPMHNXCESA-N 0 1 285.347 2.555 20 30 CFEDMN O=C1Nc2cccc(Cl)c2C1=N[N-]c1cccc[nH+]1 ZINC000750923348 574363413 /nfs/dbraw/zinc/36/34/13/574363413.db2.gz WEQWOYCLOKXPCJ-UHFFFAOYSA-N 0 1 272.695 2.503 20 30 CFEDMN Cc1ncsc1C=NNc1cnc2ccccc2n1 ZINC000743438148 574364580 /nfs/dbraw/zinc/36/45/80/574364580.db2.gz LPUVHZLUTDSHLN-UHFFFAOYSA-N 0 1 269.333 2.841 20 30 CFEDMN N#Cc1ccc(CN=Nc2ccc(Br)cn2)o1 ZINC000743438814 574364628 /nfs/dbraw/zinc/36/46/28/574364628.db2.gz QXQGGBMDWLUSEB-UHFFFAOYSA-N 0 1 291.108 2.755 20 30 CFEDMN C(=NNC1CCCC1)C1(CN2CCOCC2)CCCCC1 ZINC000751134109 574369796 /nfs/dbraw/zinc/36/97/96/574369796.db2.gz UHQRWFLPSCXRBV-UHFFFAOYSA-N 0 1 293.455 2.787 20 30 CFEDMN CC#CC[N@@H+](CC)Cc1cc(Br)ccc1[O-] ZINC000743870828 574375167 /nfs/dbraw/zinc/37/51/67/574375167.db2.gz CMTUBLFWRHBDBJ-UHFFFAOYSA-N 0 1 282.181 3.000 20 30 CFEDMN CC#CC[N@H+](CC)Cc1cc(Br)ccc1[O-] ZINC000743870828 574375170 /nfs/dbraw/zinc/37/51/70/574375170.db2.gz CMTUBLFWRHBDBJ-UHFFFAOYSA-N 0 1 282.181 3.000 20 30 CFEDMN CC(C)CN(CCC#N)C(=O)c1cc(C(C)C)[nH]n1 ZINC000751379591 574376150 /nfs/dbraw/zinc/37/61/50/574376150.db2.gz GONQTXIIRHIGDA-UHFFFAOYSA-N 0 1 262.357 2.545 20 30 CFEDMN Cc1cccc2nc([C@H](C#N)C(=O)CCOCC3CC3)[nH]c21 ZINC000751844447 574383676 /nfs/dbraw/zinc/38/36/76/574383676.db2.gz QJFDDAHFTWTOAU-CYBMUJFWSA-N 0 1 297.358 2.864 20 30 CFEDMN CC[C@@H](C)OCC(=O)[C@@H](C#N)c1nc2cccc(C)c2[nH]1 ZINC000752503542 574392129 /nfs/dbraw/zinc/39/21/29/574392129.db2.gz CGKDOZYABPRJQV-VXGBXAGGSA-N 0 1 285.347 2.863 20 30 CFEDMN Oc1c(Cl)cccc1C=NNC(=S)NCC1CCC1 ZINC000753165928 574399650 /nfs/dbraw/zinc/39/96/50/574399650.db2.gz RKYZLAYUBDEZQM-UHFFFAOYSA-N 0 1 297.811 2.644 20 30 CFEDMN CCn1nccc1C=NNc1cccc(C(F)(F)F)n1 ZINC000753708109 574408318 /nfs/dbraw/zinc/40/83/18/574408318.db2.gz HKJRVBHDNVAGFO-UHFFFAOYSA-N 0 1 283.257 2.763 20 30 CFEDMN C#CCCN1CCC[C@H](NC(=O)c2cscc2Cl)C1 ZINC001007564446 651136305 /nfs/dbraw/zinc/13/63/05/651136305.db2.gz ZRJPDXGTRPLJTH-NSHDSACASA-N 0 1 296.823 2.619 20 30 CFEDMN CC(C)(C#N)CCC[N@@H+](CC(=O)[O-])Cc1ccccc1 ZINC000692436857 601112970 /nfs/dbraw/zinc/11/29/70/601112970.db2.gz MGFYQAOOACBELZ-UHFFFAOYSA-N 0 1 274.364 2.903 20 30 CFEDMN C=CCCC[C@H](C(=O)Nc1c[nH]nn1)c1ccccc1 ZINC000935594577 649920333 /nfs/dbraw/zinc/92/03/33/649920333.db2.gz KBWYUNAYVAEKOD-ZDUSSCGKSA-N 0 1 270.336 2.883 20 30 CFEDMN C[C@H](C[N@@H+](CCCC(C)(C)C#N)C1CC1)C(=O)[O-] ZINC000827450115 601305421 /nfs/dbraw/zinc/30/54/21/601305421.db2.gz RVHLDNZONHZQGV-LLVKDONJSA-N 0 1 252.358 2.501 20 30 CFEDMN C[N@@H+](Cc1ccc(F)cc1)[C@H](C(=O)[O-])c1cccc(C#N)c1 ZINC000830825479 601309452 /nfs/dbraw/zinc/30/94/52/601309452.db2.gz YNJBHXNVAOXEEL-INIZCTEOSA-N 0 1 298.317 2.955 20 30 CFEDMN CC[C@@H](C)C[N@@H+](C)[C@@H](C(=O)[O-])c1cccc(C#N)c1 ZINC000828747245 601317485 /nfs/dbraw/zinc/31/74/85/601317485.db2.gz MKZCXQREEZJJFE-BXUZGUMPSA-N 0 1 260.337 2.662 20 30 CFEDMN N#Cc1cccc([C@H](C(=O)[O-])[N@@H+]2C[C@@H]3CCCC[C@@H]3C2)c1 ZINC000833074441 601324118 /nfs/dbraw/zinc/32/41/18/601324118.db2.gz YEHMARSIFZNIMM-OWCLPIDISA-N 0 1 284.359 2.806 20 30 CFEDMN CC1(C)CCCN(C(=O)c2cc(F)cc(F)c2O)[C@H]1C#N ZINC000935662833 649927562 /nfs/dbraw/zinc/92/75/62/649927562.db2.gz LPJDQXBRDFSBKQ-LBPRGKRZSA-N 0 1 294.301 2.825 20 30 CFEDMN CC(C)[N@@H+](CCCOc1cccc(C#N)c1)CCC(=O)[O-] ZINC000826951324 602016604 /nfs/dbraw/zinc/01/66/04/602016604.db2.gz GBLBNBDLQVCCHH-UHFFFAOYSA-N 0 1 290.363 2.512 20 30 CFEDMN C=CCC(C)(C)C(=O)OCc1nc(C(C)C)n[nH]1 ZINC000796463623 629921560 /nfs/dbraw/zinc/92/15/60/629921560.db2.gz RYMPQRVSUISITI-UHFFFAOYSA-N 0 1 251.330 2.574 20 30 CFEDMN C=CCC(C)(C)C(=O)OCc1n[nH]c(C(C)C)n1 ZINC000796463623 629921562 /nfs/dbraw/zinc/92/15/62/629921562.db2.gz RYMPQRVSUISITI-UHFFFAOYSA-N 0 1 251.330 2.574 20 30 CFEDMN C#CCN(C(=O)c1cc(C(F)F)[nH]n1)C1CCCCC1 ZINC000900411891 620672006 /nfs/dbraw/zinc/67/20/06/620672006.db2.gz HFMYQYQVVZZBPX-UHFFFAOYSA-N 0 1 281.306 2.755 20 30 CFEDMN C#CCN(C(=O)[C@@H]1c2cn[nH]c2CC[C@@H]1C)C1CCCCC1 ZINC000900411869 620672253 /nfs/dbraw/zinc/67/22/53/620672253.db2.gz GRSJHOMCBKWVKT-GUYCJALGSA-N 0 1 299.418 2.870 20 30 CFEDMN N#Cc1csc(C[N@@H+]2Cc3ccccc3C[C@@H]2C(=O)[O-])c1 ZINC000833078437 604467926 /nfs/dbraw/zinc/46/79/26/604467926.db2.gz KIHFQVXKYPMGTQ-OAHLLOKOSA-N 0 1 298.367 2.631 20 30 CFEDMN C[C@@H]1C[C@H](C)C[N@H+](Cc2cccc(C(=O)[O-])c2C#N)C1 ZINC000833591380 604602401 /nfs/dbraw/zinc/60/24/01/604602401.db2.gz LMKVMAMETDCMPP-TXEJJXNPSA-N 0 1 272.348 2.734 20 30 CFEDMN C[C@@H]1C[N@@H+](Cc2cccc(C(=O)[O-])c2C#N)C[C@H](C)S1 ZINC000833629701 604610743 /nfs/dbraw/zinc/61/07/43/604610743.db2.gz LLRQKJOELIZHLI-PHIMTYICSA-N 0 1 290.388 2.582 20 30 CFEDMN C[C@@H]1C[N@H+](Cc2cccc(C(=O)[O-])c2C#N)C[C@H](C)S1 ZINC000833629701 604610750 /nfs/dbraw/zinc/61/07/50/604610750.db2.gz LLRQKJOELIZHLI-PHIMTYICSA-N 0 1 290.388 2.582 20 30 CFEDMN C=CCCC[N@H+](C)Cc1ccc(O[C@H](C)C(=O)[O-])cc1 ZINC000833373855 604657528 /nfs/dbraw/zinc/65/75/28/604657528.db2.gz GPWKSSDEPJUSEI-CYBMUJFWSA-N 0 1 277.364 2.937 20 30 CFEDMN CC(C)(C#N)c1ccccc1C[N@H+]1CCC[C@@H]1C(=O)[O-] ZINC000817792083 604669799 /nfs/dbraw/zinc/66/97/99/604669799.db2.gz ZLDVLERISKSIKS-CQSZACIVSA-N 0 1 272.348 2.537 20 30 CFEDMN C#CCCCC(=O)OC[C@H]1CCN1Cc1ccccc1 ZINC000851468028 634381076 /nfs/dbraw/zinc/38/10/76/634381076.db2.gz INNRXTAVQHHPKB-MRXNPFEDSA-N 0 1 271.360 2.608 20 30 CFEDMN CC(C)(C#N)CC[N@@H+]1[C@H](C(=O)[O-])C[C@H]2CCCC[C@@H]21 ZINC000250359968 604994610 /nfs/dbraw/zinc/99/46/10/604994610.db2.gz FLLIRYRAOQKIPA-AGIUHOORSA-N 0 1 264.369 2.644 20 30 CFEDMN C=CC[N@H+](Cc1cc(C(=O)[O-])cc(C(=O)OC)c1)C(C)C ZINC000833374717 605199455 /nfs/dbraw/zinc/19/94/55/605199455.db2.gz ZOMYHUJXGSAFSV-UHFFFAOYSA-N 0 1 291.347 2.568 20 30 CFEDMN C=CC[N@H+](CCOc1ccccc1C(=O)[O-])C(C)C ZINC000394982584 605202789 /nfs/dbraw/zinc/20/27/89/605202789.db2.gz ITDSBLFADNHQFN-UHFFFAOYSA-N 0 1 263.337 2.660 20 30 CFEDMN C=CC[N@@H+](Cc1cccs1)C[C@H]1CC(C(=O)[O-])=C(C)O1 ZINC000833375947 605314962 /nfs/dbraw/zinc/31/49/62/605314962.db2.gz KABUXVWABRDXES-GFCCVEGCSA-N 0 1 293.388 2.884 20 30 CFEDMN C=C(C)CCn1cc(CN(C(C)C)C(C)C)nn1 ZINC000900545501 620685392 /nfs/dbraw/zinc/68/53/92/620685392.db2.gz DBJVSPPLFRSTPR-UHFFFAOYSA-N 0 1 250.390 2.863 20 30 CFEDMN C=CC[N@H+](CCC1CCN(C(=O)[O-])CC1)C(C)C ZINC000833788364 605511837 /nfs/dbraw/zinc/51/18/37/605511837.db2.gz WHBUEENTTPORSA-UHFFFAOYSA-N 0 1 254.374 2.663 20 30 CFEDMN C#Cc1cccc(N(C)C(=O)[C@@H]2C[C@@H](C)Cc3cn[nH]c32)c1 ZINC000900563292 620688876 /nfs/dbraw/zinc/68/88/76/620688876.db2.gz RWLWVJZHIFYIQF-BLLLJJGKSA-N 0 1 293.370 2.720 20 30 CFEDMN C#Cc1cccc(N(C)C(=O)[C@@H]2c3cn[nH]c3CC[C@H]2C)c1 ZINC000900560710 620688456 /nfs/dbraw/zinc/68/84/56/620688456.db2.gz AGQMBKZZEDRPKJ-PXAZEXFGSA-N 0 1 293.370 2.720 20 30 CFEDMN CC(C)c1nc(-c2nn[nH]n2)c(N=NCCC(C)(C)C)o1 ZINC000824352528 607887506 /nfs/dbraw/zinc/88/75/06/607887506.db2.gz HGFLNEUAGPQTTE-UHFFFAOYSA-N 0 1 291.359 2.812 20 30 CFEDMN C#CCN(C)[C@@H]1CCN(C(=O)C[C@@H](C)c2ccccc2C)C1 ZINC000972476623 613080964 /nfs/dbraw/zinc/08/09/64/613080964.db2.gz CIAVYMIAWPZHAU-IAGOWNOFSA-N 0 1 298.430 2.655 20 30 CFEDMN C#CCN(C)[C@@H]1CCN(C(=O)[C@H](C)CC2CCCCC2)C1 ZINC000972458764 613083455 /nfs/dbraw/zinc/08/34/55/613083455.db2.gz VFUYSRPJSMCWNT-NVXWUHKLSA-N 0 1 290.451 2.759 20 30 CFEDMN C#CCN(C)[C@@H]1CCN(C(=O)c2ccc3ccccc3c2)C1 ZINC000972791802 613086408 /nfs/dbraw/zinc/08/64/08/613086408.db2.gz UTMVYBQUZCANCQ-GOSISDBHSA-N 0 1 292.382 2.619 20 30 CFEDMN C#CCN(C)[C@H]1CCN(C(=O)C[C@@H]2CCCCC2(C)C)C1 ZINC000980566192 613090229 /nfs/dbraw/zinc/09/02/29/613090229.db2.gz JCDJSUHIJMPYHB-HOTGVXAUSA-N 0 1 290.451 2.759 20 30 CFEDMN C#CCN(C)[C@H]1CCN(C(=O)C[C@@H]2CCCC(C)(C)C2)C1 ZINC000972733105 613090489 /nfs/dbraw/zinc/09/04/89/613090489.db2.gz PBIBLPGGJYSAQJ-HOTGVXAUSA-N 0 1 290.451 2.759 20 30 CFEDMN C#CCN(C)[C@H]1CCN(C(=O)Cc2cccc(C(C)C)c2)C1 ZINC000971863886 613090845 /nfs/dbraw/zinc/09/08/45/613090845.db2.gz OYLDYTCUKMDUEI-SFHVURJKSA-N 0 1 298.430 2.518 20 30 CFEDMN C#CCN(C)[C@H]1CCN(C(=O)[C@]2(C)CC[C@H](C)C2(C)C)C1 ZINC000972483648 613093522 /nfs/dbraw/zinc/09/35/22/613093522.db2.gz UYFATPOFIDFMLZ-MPGHIAIKSA-N 0 1 290.451 2.615 20 30 CFEDMN C#CCN(C)[C@H]1CCN(C(=O)c2cccc(C(C)C)c2)C1 ZINC000972667928 613095450 /nfs/dbraw/zinc/09/54/50/613095450.db2.gz PKKMESVLCIAORX-KRWDZBQOSA-N 0 1 284.403 2.590 20 30 CFEDMN C#CCN(C)[C@H]1CCN(C(=O)c2oc3ccccc3c2C)C1 ZINC000980325226 613097239 /nfs/dbraw/zinc/09/72/39/613097239.db2.gz KVNCFSSZFYFNOP-AWEZNQCLSA-N 0 1 296.370 2.521 20 30 CFEDMN C#CCN1CCCCC[C@H]1CNC(=O)c1cccc(C)c1 ZINC000968733705 613149758 /nfs/dbraw/zinc/14/97/58/613149758.db2.gz SQFPHYFMCRWMQZ-KRWDZBQOSA-N 0 1 284.403 2.603 20 30 CFEDMN C#CCN1CC[C@@H](NC(=O)[C@@H]2C[C@H]2C(C)(C)C)C(C)(C)C1 ZINC000940886469 613230046 /nfs/dbraw/zinc/23/00/46/613230046.db2.gz PEPLPOYBRFZZCE-RBSFLKMASA-N 0 1 290.451 2.519 20 30 CFEDMN C=C(C)C(C)(C)C(=O)N1CCN(CCC2CC2)CC1 ZINC000949628419 613241033 /nfs/dbraw/zinc/24/10/33/613241033.db2.gz VPHNWHUGGLAKPJ-UHFFFAOYSA-N 0 1 264.413 2.533 20 30 CFEDMN C=C(C)C(C)(C)C(=O)N1CCN(CCCC)CC1 ZINC000949631671 613241211 /nfs/dbraw/zinc/24/12/11/613241211.db2.gz MJELQXQRTSSBAK-UHFFFAOYSA-N 0 1 252.402 2.533 20 30 CFEDMN C#CCN1CC[C@@H](NC(=O)c2occc2C(C)C)C[C@@H]1C ZINC000947653577 613244457 /nfs/dbraw/zinc/24/44/57/613244457.db2.gz POFGXSAUSRQYCU-UONOGXRCSA-N 0 1 288.391 2.619 20 30 CFEDMN C=C(C)CCN1CC(N(CC)C(=O)C2CC(C)(C)C2)C1 ZINC000950010459 613245188 /nfs/dbraw/zinc/24/51/88/613245188.db2.gz GCXHQIKTQNSEGD-UHFFFAOYSA-N 0 1 278.440 2.922 20 30 CFEDMN C=C(C)CCN1CCN(C(=O)C[C@@H](C)C2CC2)CC1 ZINC000957794974 613257541 /nfs/dbraw/zinc/25/75/41/613257541.db2.gz HIAOUIQFIDJYGR-CQSZACIVSA-N 0 1 264.413 2.533 20 30 CFEDMN C=C(C)CCN1CCN(C(=O)C[C@H]2CC[C@@H](C)C2)CC1 ZINC000949737299 613258372 /nfs/dbraw/zinc/25/83/72/613258372.db2.gz BVORRZZFCPZTFO-CVEARBPZSA-N 0 1 278.440 2.923 20 30 CFEDMN C=C(C)CCN1CCN(C(=O)[C@@H]2C[C@@H]2C2CCCC2)CC1 ZINC000956970616 613259615 /nfs/dbraw/zinc/25/96/15/613259615.db2.gz JAXCBHKQKZDMPV-IAGOWNOFSA-N 0 1 290.451 2.923 20 30 CFEDMN C=C(C)CCN1CCN(C(=O)[C@H]2CC[C@H](C)C2)CC1 ZINC000951176107 613260628 /nfs/dbraw/zinc/26/06/28/613260628.db2.gz DNORDAWJRSGYJE-GJZGRUSLSA-N 0 1 264.413 2.533 20 30 CFEDMN C=C(C)CCN1CCN(C(=O)c2ccoc2CCC)CC1 ZINC000957316726 613261739 /nfs/dbraw/zinc/26/17/39/613261739.db2.gz FOODLXJPNQSGKP-UHFFFAOYSA-N 0 1 290.407 2.956 20 30 CFEDMN C=C(C)CCN1CCN(C(=O)c2cccc(F)c2F)CC1 ZINC000949923945 613261772 /nfs/dbraw/zinc/26/17/72/613261772.db2.gz HDEOYWXIEISQGG-UHFFFAOYSA-N 0 1 294.345 2.689 20 30 CFEDMN C=C(C)CCN1CCN(C(=O)c2ccc(F)c(C)c2)CC1 ZINC000949973183 613261852 /nfs/dbraw/zinc/26/18/52/613261852.db2.gz GNULMRQJUXFPIW-UHFFFAOYSA-N 0 1 290.382 2.858 20 30 CFEDMN C#CCN1CC[C@H](NC(=O)c2coc3ccccc23)C[C@@H]1C ZINC000948094000 613276336 /nfs/dbraw/zinc/27/63/36/613276336.db2.gz DGCRKGHMIFLNPD-KBPBESRZSA-N 0 1 296.370 2.649 20 30 CFEDMN C#CCN1C[C@H](NC(=O)C2CC(C(C)(C)C)C2)C(C)(C)C1 ZINC000977663739 613296783 /nfs/dbraw/zinc/29/67/83/613296783.db2.gz UIFQGJPNULFPGT-NRXISQOPSA-N 0 1 290.451 2.519 20 30 CFEDMN C=C(C)CN1CCCN(C(=O)[C@@H](C)c2ccc(C)o2)CC1 ZINC000982111299 613309145 /nfs/dbraw/zinc/30/91/45/613309145.db2.gz QJBWCVXPLHMHCJ-HNNXBMFYSA-N 0 1 290.407 2.802 20 30 CFEDMN C=C(C)CN1CCCN(C(=O)[C@H]2C[C@]2(C)C(C)C)CC1 ZINC000983431143 613311587 /nfs/dbraw/zinc/31/15/87/613311587.db2.gz VIJUVMFURDXAJJ-NVXWUHKLSA-N 0 1 278.440 2.779 20 30 CFEDMN C=C(C)CN1CCCN(C(=O)c2ccc3[nH]ccc3c2)CC1 ZINC000981854547 613311731 /nfs/dbraw/zinc/31/17/31/613311731.db2.gz UJVAZVUZZYWCLT-UHFFFAOYSA-N 0 1 297.402 2.892 20 30 CFEDMN C=C(C)CN1CC[C@H](C)[C@@H](NC(=O)c2cc(C)co2)C1 ZINC000967892021 613332385 /nfs/dbraw/zinc/33/23/85/613332385.db2.gz BQNTWQUMWMUPMT-KBPBESRZSA-N 0 1 276.380 2.604 20 30 CFEDMN C=C(C)CN1C[C@@H](NC(=O)c2c(C)coc2C)C(C)(C)C1 ZINC000974547592 613338583 /nfs/dbraw/zinc/33/85/83/613338583.db2.gz OLPLTXYTEKOMKD-CQSZACIVSA-N 0 1 290.407 2.913 20 30 CFEDMN C=C(Cl)CN1CCC[C@@H](N(C)C(=O)[C@@H]2CC23CC3)CC1 ZINC000948810052 613374131 /nfs/dbraw/zinc/37/41/31/613374131.db2.gz YVMRGJITZGMQIV-KGLIPLIRSA-N 0 1 296.842 2.852 20 30 CFEDMN C=C(Cl)CN1CC[C@@H]([C@H]2CCCN(C(=O)CC)C2)C1 ZINC000961071942 613377551 /nfs/dbraw/zinc/37/75/51/613377551.db2.gz XNSGTKWENJRHEZ-UONOGXRCSA-N 0 1 284.831 2.709 20 30 CFEDMN C=C(Cl)CN1CC[C@H]([C@H]2CCCN(C(=O)C3CC3)C2)C1 ZINC000961083894 613379607 /nfs/dbraw/zinc/37/96/07/613379607.db2.gz WAXNNWRPPZHYKK-GJZGRUSLSA-N 0 1 296.842 2.709 20 30 CFEDMN C=C(Cl)CN[C@@H]1CCN(C(=O)C(F)=C2CCCC2)C1 ZINC000968402907 613384319 /nfs/dbraw/zinc/38/43/19/613384319.db2.gz BPSZVYYRNMMPFA-GFCCVEGCSA-N 0 1 286.778 2.727 20 30 CFEDMN C=C(Cl)CN[C@@H]1CCN(C(=O)C(C)(C)C(=C)C)C1 ZINC000969570429 613384464 /nfs/dbraw/zinc/38/44/64/613384464.db2.gz PYIJLHLKBAOVMT-GFCCVEGCSA-N 0 1 270.804 2.532 20 30 CFEDMN C=C(Cl)CN[C@@H]1CCN(C(=O)[C@@H]2CCC(C)(C)C2)C1 ZINC000969866878 613384978 /nfs/dbraw/zinc/38/49/78/613384978.db2.gz DPOBBUVKRUWZDI-CHWSQXEVSA-N 0 1 284.831 2.756 20 30 CFEDMN C=C(Cl)CN[C@@H]1CCN(C(=O)[C@@H]2CCCC3(CC3)C2)C1 ZINC000968656489 613384986 /nfs/dbraw/zinc/38/49/86/613384986.db2.gz UQQCONZYNJIQSO-ZIAGYGMSSA-N 0 1 296.842 2.900 20 30 CFEDMN C=C(Cl)CN[C@@H]1CCN(C(=O)[C@@H](C)c2ccccc2)C1 ZINC000970503639 613385018 /nfs/dbraw/zinc/38/50/18/613385018.db2.gz PUOQVAVZUVYNQE-DZGCQCFKSA-N 0 1 292.810 2.733 20 30 CFEDMN C=C(Cl)CN[C@@H]1CCN(C(=O)c2ccccc2C)C1 ZINC000966542220 613385789 /nfs/dbraw/zinc/38/57/89/613385789.db2.gz JOORCAQRYPEJTC-CYBMUJFWSA-N 0 1 278.783 2.552 20 30 CFEDMN C=CC(C)(C)C(=O)N1CC2(C1)CCCN(C/C=C/Cl)C2 ZINC000981933941 613429429 /nfs/dbraw/zinc/42/94/29/613429429.db2.gz ZWOFESBULJZWLH-SOFGYWHQSA-N 0 1 296.842 2.876 20 30 CFEDMN C=CC(C)(C)C(=O)N1CC[C@H](N(C)Cc2ccsc2)C1 ZINC000972078101 613439040 /nfs/dbraw/zinc/43/90/40/613439040.db2.gz CRCTVJVHFXZPQV-AWEZNQCLSA-N 0 1 292.448 2.993 20 30 CFEDMN C=CCCN1CCCN(C(=O)c2sccc2F)CC1 ZINC000981103547 613498814 /nfs/dbraw/zinc/49/88/14/613498814.db2.gz DEPIEONINYFZNX-UHFFFAOYSA-N 0 1 282.384 2.611 20 30 CFEDMN C=CCCN1CCN(C(=O)[C@@H](C)c2ccccc2C)CC1 ZINC000957739798 613505218 /nfs/dbraw/zinc/50/52/18/613505218.db2.gz MXMCUQLVKPDOGI-INIZCTEOSA-N 0 1 286.419 2.819 20 30 CFEDMN C=CCCN1CCN(C(=O)[C@H](C)c2cccc(F)c2)CC1 ZINC000957715309 613507373 /nfs/dbraw/zinc/50/73/73/613507373.db2.gz HUAJEAUBAHALFU-CQSZACIVSA-N 0 1 290.382 2.650 20 30 CFEDMN C=CCCN1CCN(C(=O)c2ccc(C=C)cc2)CC1 ZINC000950654280 613510200 /nfs/dbraw/zinc/51/02/00/613510200.db2.gz YBTICIWBHVOEEO-UHFFFAOYSA-N 0 1 270.376 2.664 20 30 CFEDMN C=CCCN1CCN(C(=O)c2ccc(CCC)cc2)CC1 ZINC000949939415 613510269 /nfs/dbraw/zinc/51/02/69/613510269.db2.gz LMRCUFXRMLZUJC-UHFFFAOYSA-N 0 1 286.419 2.973 20 30 CFEDMN CC#CCN1CC([C@H](C)NC(=O)c2ccc(C3CC3)cc2)C1 ZINC000970913219 613538376 /nfs/dbraw/zinc/53/83/76/613538376.db2.gz LSTYIIYOUAWYFT-AWEZNQCLSA-N 0 1 296.414 2.637 20 30 CFEDMN CC#CCN1CCCC2(CN(C(=O)[C@H](C)C(C)(C)C)C2)C1 ZINC000981848484 613543415 /nfs/dbraw/zinc/54/34/15/613543415.db2.gz PQTNFUOSLIZXET-HNNXBMFYSA-N 0 1 290.451 2.616 20 30 CFEDMN CC#CCN1CCCCC[C@@H]1CNC(=O)c1coc(C)c1 ZINC000968821864 613545637 /nfs/dbraw/zinc/54/56/37/613545637.db2.gz HSUHTCZBQIEJPZ-MRXNPFEDSA-N 0 1 288.391 2.586 20 30 CFEDMN CC#CCN1CC[C@@H](C)[C@@H](NC(=O)C(C)=C2CCCC2)C1 ZINC000965891208 613571680 /nfs/dbraw/zinc/57/16/80/613571680.db2.gz SFYHJGZVFMUFKH-PBHICJAKSA-N 0 1 288.435 2.727 20 30 CFEDMN CC#CCN1CC[C@@H](C)[C@@H](NC(=O)C2CCC=CCC2)C1 ZINC000968663915 613572019 /nfs/dbraw/zinc/57/20/19/613572019.db2.gz BZALRKBHVGOLFY-WBVHZDCISA-N 0 1 288.435 2.583 20 30 CFEDMN CC#CCN1CC[C@@H](C)[C@H](NC(=O)C=C2CCCCC2)C1 ZINC000965449421 613574005 /nfs/dbraw/zinc/57/40/05/613574005.db2.gz OIMIOKIJQYOGJQ-NVXWUHKLSA-N 0 1 288.435 2.727 20 30 CFEDMN CC#CCN1CC[C@@H](C)[C@H](NC(=O)c2cc(C)ccc2C)C1 ZINC000968588008 613574725 /nfs/dbraw/zinc/57/47/25/613574725.db2.gz JAAXFQUFSNLIIN-SJLPKXTDSA-N 0 1 298.430 2.767 20 30 CFEDMN CC#CCN1C[C@@H](NC(=O)C(C)=C2CCCC2)C(C)(C)C1 ZINC000973023641 613608266 /nfs/dbraw/zinc/60/82/66/613608266.db2.gz ZDHWEOYWBBLHRC-MRXNPFEDSA-N 0 1 288.435 2.727 20 30 CFEDMN CC#CCN1C[C@H](NC(=O)C=C2CCCCC2)C(C)(C)C1 ZINC000972846688 613620328 /nfs/dbraw/zinc/62/03/28/613620328.db2.gz RLSGSEXBIRDDKV-INIZCTEOSA-N 0 1 288.435 2.727 20 30 CFEDMN CC#CCN1C[C@H](NC(=O)[C@@H](C)c2ccccc2)C(C)(C)C1 ZINC000977503522 613621107 /nfs/dbraw/zinc/62/11/07/613621107.db2.gz XHLLYQFKWMNXFY-RDJZCZTQSA-N 0 1 298.430 2.640 20 30 CFEDMN C=CCN1CC([C@@H](C)NC(=O)[C@H]2CCCC3(CC3)C2)C1 ZINC000969664290 613662804 /nfs/dbraw/zinc/66/28/04/613662804.db2.gz PDBDVCYCCUZNMO-KGLIPLIRSA-N 0 1 276.424 2.579 20 30 CFEDMN C=CCN1CC([C@@H](C)NC(=O)c2cccc(F)c2Cl)C1 ZINC000970488521 613665886 /nfs/dbraw/zinc/66/58/86/613665886.db2.gz OJFNYJRLNODTKR-SNVBAGLBSA-N 0 1 296.773 2.715 20 30 CFEDMN C=CCN1CC([C@@H](C)NC(=O)c2ccsc2Cl)C1 ZINC000970527727 613666502 /nfs/dbraw/zinc/66/65/02/613666502.db2.gz ZGKSGPMVYVFCBH-SECBINFHSA-N 0 1 284.812 2.638 20 30 CFEDMN C=CCN1CC([C@H](C)NC(=O)c2ccc(C)c(Cl)c2)C1 ZINC000970373154 613671447 /nfs/dbraw/zinc/67/14/47/613671447.db2.gz YLZXDZHLRHHOJS-LBPRGKRZSA-N 0 1 292.810 2.885 20 30 CFEDMN C=CCN1CC([C@H](C)NC(=O)c2cccc(Cl)c2F)C1 ZINC000970364011 613671926 /nfs/dbraw/zinc/67/19/26/613671926.db2.gz RCOIDEXCXKJYPB-JTQLQIEISA-N 0 1 296.773 2.715 20 30 CFEDMN C=CCN1CCCCC[C@@H]1CNC(=O)c1cccs1 ZINC000968738591 613684913 /nfs/dbraw/zinc/68/49/13/613684913.db2.gz WDFKOJYLMRWPQI-CYBMUJFWSA-N 0 1 278.421 2.909 20 30 CFEDMN C=CCN1CCCN(C(=O)[C@H](C)Cc2cccs2)CC1 ZINC000982057188 613693914 /nfs/dbraw/zinc/69/39/14/613693914.db2.gz ZCAPMLYKMFQVAG-CQSZACIVSA-N 0 1 292.448 2.647 20 30 CFEDMN C=CCN1CCCN(C(=O)[C@H]2CCC[C@@H]2CC)CC1 ZINC000981895809 613694392 /nfs/dbraw/zinc/69/43/92/613694392.db2.gz UXIWWSPJEIEYLI-GJZGRUSLSA-N 0 1 264.413 2.533 20 30 CFEDMN C=CCN1CCCN(C(=O)[C@]2(C)CCC[C@@H]2CC)CC1 ZINC000981451242 613695532 /nfs/dbraw/zinc/69/55/32/613695532.db2.gz QYYLVEGPHZZPMM-DOTOQJQBSA-N 0 1 278.440 2.923 20 30 CFEDMN C=CCN1CCCN(C(=O)c2ccc(C(C)C)nc2)CC1 ZINC000981332432 613696981 /nfs/dbraw/zinc/69/69/81/613696981.db2.gz XNDRIROKUHHMGN-UHFFFAOYSA-N 0 1 287.407 2.539 20 30 CFEDMN C=CCN1CC[C@@H](C)[C@@H](NC(=O)c2ccc(C)cc2F)C1 ZINC000968354287 613729906 /nfs/dbraw/zinc/72/99/06/613729906.db2.gz PXLRADGZWMWOPF-CJNGLKHVSA-N 0 1 290.382 2.760 20 30 CFEDMN C=CCN1CC[C@@H](C)[C@@H](NC(=O)c2coc(C(F)F)c2)C1 ZINC000968056015 613731309 /nfs/dbraw/zinc/73/13/09/613731309.db2.gz IANKRKOYQNWZIC-PWSUYJOCSA-N 0 1 298.333 2.843 20 30 CFEDMN C=CCN1CC[C@@H](C)[C@H](NC(=O)Cc2ccc(C)cc2)C1 ZINC000967278608 613732755 /nfs/dbraw/zinc/73/27/55/613732755.db2.gz FDGNIYMAMUPYKP-NVXWUHKLSA-N 0 1 286.419 2.550 20 30 CFEDMN C=CCN1CC[C@@H](C)[C@H](NC(=O)c2cc(C)sc2C)C1 ZINC000967273781 613734130 /nfs/dbraw/zinc/73/41/30/613734130.db2.gz NPLGLXQDEFEAQS-IAQYHMDHSA-N 0 1 292.448 2.991 20 30 CFEDMN C=CCN1CC[C@@H](C)[C@H](NC(=O)c2ccc(CC)cc2)C1 ZINC000968607085 613734151 /nfs/dbraw/zinc/73/41/51/613734151.db2.gz ORCJZOBAYXHHQO-RHSMWYFYSA-N 0 1 286.419 2.875 20 30 CFEDMN C=CCN1CC[C@@H](C)[C@H](NC(=O)c2cccc3[nH]ccc32)C1 ZINC000968345675 613734868 /nfs/dbraw/zinc/73/48/68/613734868.db2.gz NZWRYEXLHBKPDX-CXAGYDPISA-N 0 1 297.402 2.794 20 30 CFEDMN C=CCN1CC[C@H](C)[C@@H](NC(=O)C2CCCCC2)C1 ZINC000964681169 613767015 /nfs/dbraw/zinc/76/70/15/613767015.db2.gz BGEPPWPETNCQPI-ZFWWWQNUSA-N 0 1 264.413 2.579 20 30 CFEDMN C=CCN1CC[C@H](C)[C@@H](NC(=O)c2ccsc2C)C1 ZINC000966004193 613770643 /nfs/dbraw/zinc/77/06/43/613770643.db2.gz NZCOWRAGFUDCHE-FZMZJTMJSA-N 0 1 278.421 2.683 20 30 CFEDMN C=CCN1CC[C@H](C)[C@@H](NC(=O)c2ccoc2Cl)C1 ZINC000965929605 613770683 /nfs/dbraw/zinc/77/06/83/613770683.db2.gz BDUMBNNWMVFTKV-JQWIXIFHSA-N 0 1 282.771 2.559 20 30 CFEDMN C=CCN1CC[C@H](C)[C@H](NC(=O)c2cc(C)cc(C)c2)C1 ZINC000968587647 613773018 /nfs/dbraw/zinc/77/30/18/613773018.db2.gz DLPVVSHTVCBQQD-DOTOQJQBSA-N 0 1 286.419 2.930 20 30 CFEDMN C=CCN1CC[C@H](C)[C@H](NC(=O)c2ccc(CC)cc2)C1 ZINC000968607086 613773910 /nfs/dbraw/zinc/77/39/10/613773910.db2.gz ORCJZOBAYXHHQO-WMLDXEAASA-N 0 1 286.419 2.875 20 30 CFEDMN C=CCN1CC[C@H](C)[C@H](NC(=O)c2ccccc2C)C1 ZINC000964772449 613774334 /nfs/dbraw/zinc/77/43/34/613774334.db2.gz MTQVUKHALIZNAC-GOEBONIOSA-N 0 1 272.392 2.621 20 30 CFEDMN C=CCN1C[C@@H](NC(=O)c2cc(C)sc2C)C(C)(C)C1 ZINC000974801671 613809865 /nfs/dbraw/zinc/80/98/65/613809865.db2.gz YELUQMHDBGUGMU-CQSZACIVSA-N 0 1 292.448 2.991 20 30 CFEDMN C=CCN1C[C@@H](NC(=O)c2ccc(Cl)cc2)C(C)(C)C1 ZINC000977504381 613810192 /nfs/dbraw/zinc/81/01/92/613810192.db2.gz TZNXPJLNONUERF-CQSZACIVSA-N 0 1 292.810 2.966 20 30 CFEDMN C=CCN1C[C@@H](NC(=O)c2cscc2C)C(C)(C)C1 ZINC000973008800 613812617 /nfs/dbraw/zinc/81/26/17/613812617.db2.gz GRYPSZSZPKXXCK-CYBMUJFWSA-N 0 1 278.421 2.683 20 30 CFEDMN C=CCN1C[C@H](NC(=O)[C@H]2CC3CCC2CC3)C(C)(C)C1 ZINC000977622922 613827998 /nfs/dbraw/zinc/82/79/98/613827998.db2.gz ULFDJYKZXPGBRS-CKUJCDMFSA-N 0 1 290.451 2.825 20 30 CFEDMN C=CCN1C[C@H](NC(=O)c2[nH]ccc2C2CC2)C(C)(C)C1 ZINC000974655768 613828144 /nfs/dbraw/zinc/82/81/44/613828144.db2.gz YNQTVOKZMURXGB-AWEZNQCLSA-N 0 1 287.407 2.518 20 30 CFEDMN C=CCN1C[C@H](NC(=O)c2c(C)cccc2F)C(C)(C)C1 ZINC000977654977 613828286 /nfs/dbraw/zinc/82/82/86/613828286.db2.gz BDMLYYKTCCDXJS-AWEZNQCLSA-N 0 1 290.382 2.760 20 30 CFEDMN C=CCN1C[C@H](NC(=O)c2ccc(C)c(F)c2)C(C)(C)C1 ZINC000974802978 613828605 /nfs/dbraw/zinc/82/86/05/613828605.db2.gz ALFMOKJVZONUSM-HNNXBMFYSA-N 0 1 290.382 2.760 20 30 CFEDMN C=CCN1C[C@H](NC(=O)c2ccc(C(F)F)o2)C(C)(C)C1 ZINC000977544517 613828841 /nfs/dbraw/zinc/82/88/41/613828841.db2.gz ZLMOBPIEFATTMZ-LBPRGKRZSA-N 0 1 298.333 2.843 20 30 CFEDMN C=CCN1C[C@H](NC(=O)c2ccc(Cl)cc2)C(C)(C)C1 ZINC000977504378 613828853 /nfs/dbraw/zinc/82/88/53/613828853.db2.gz TZNXPJLNONUERF-AWEZNQCLSA-N 0 1 292.810 2.966 20 30 CFEDMN C=CCN1C[C@H](NC(=O)c2sccc2CC)C(C)(C)C1 ZINC000977636465 613830193 /nfs/dbraw/zinc/83/01/93/613830193.db2.gz CKGCASXTUUEXLB-ZDUSSCGKSA-N 0 1 292.448 2.937 20 30 CFEDMN CC(C)C(=O)N[C@@H]1CCN(Cc2ccccc2C#N)C[C@H]1C ZINC000941831688 613926385 /nfs/dbraw/zinc/92/63/85/613926385.db2.gz FCIYBJZMBCLOJA-RHSMWYFYSA-N 0 1 299.418 2.541 20 30 CFEDMN C[C@H]1CSCCCN1Cc1ccc(C#N)cc1[N+](=O)[O-] ZINC000934297689 617990601 /nfs/dbraw/zinc/99/06/01/617990601.db2.gz JRHQJHMBYFMDNJ-NSHDSACASA-N 0 1 291.376 2.794 20 30 CFEDMN CN(CC(F)F)C1CCN(Cc2csc(C#N)c2)CC1 ZINC000892136992 617968599 /nfs/dbraw/zinc/96/85/99/617968599.db2.gz QOJXJNFSQPXUIN-UHFFFAOYSA-N 0 1 299.390 2.781 20 30 CFEDMN C=CC[C@@H]1CCN1[C@@H](C(=O)OC(C)(C)C)C1CC1 ZINC000934463456 618041446 /nfs/dbraw/zinc/04/14/46/618041446.db2.gz WIFNSNNJSKIAKV-CHWSQXEVSA-N 0 1 251.370 2.757 20 30 CFEDMN C=CCCCC(=O)NC1(C(F)(F)F)CCN(CC)CC1 ZINC000891209664 618045515 /nfs/dbraw/zinc/04/55/15/618045515.db2.gz QRSRVIIOMBHKRM-UHFFFAOYSA-N 0 1 292.345 2.876 20 30 CFEDMN C#CCN(C(=O)c1cc(CCC)[nH]n1)C1CCCCC1 ZINC000049429742 617604524 /nfs/dbraw/zinc/60/45/24/617604524.db2.gz MHFBHSVVSWNRSA-UHFFFAOYSA-N 0 1 273.380 2.770 20 30 CFEDMN C=CC[C@@H]1CCN1C(=O)c1n[nH]c(C)c1C(F)(F)F ZINC000890547774 617639546 /nfs/dbraw/zinc/63/95/46/617639546.db2.gz DSLVBXIESXKIFB-MRVPVSSYSA-N 0 1 273.258 2.528 20 30 CFEDMN C=CC[C@@H]1CCN1C(=O)c1cc(CCCCC)[nH]n1 ZINC000890549433 617640299 /nfs/dbraw/zinc/64/02/99/617640299.db2.gz MQKPVNMOXILRIV-CYBMUJFWSA-N 0 1 261.369 2.933 20 30 CFEDMN C=C1CCC(C(=O)NCc2ccc3cncn3c2)CC1 ZINC000891521458 617650424 /nfs/dbraw/zinc/65/04/24/617650424.db2.gz YADNVBYCFGKLNK-UHFFFAOYSA-N 0 1 269.348 2.697 20 30 CFEDMN C=CC[C@H]1CCN1C(=O)[C@H](C)N1CCc2ccccc2C1 ZINC000890557682 617651064 /nfs/dbraw/zinc/65/10/64/617651064.db2.gz DTXMVHPBKWTZMJ-YOEHRIQHSA-N 0 1 284.403 2.610 20 30 CFEDMN C=CC[C@H]1CCN1C(=O)[C@@H](c1ccccc1)N(C)CC ZINC000890560256 617651609 /nfs/dbraw/zinc/65/16/09/617651609.db2.gz ILVAJYKLNOVQLL-JKSUJKDBSA-N 0 1 272.392 2.856 20 30 CFEDMN C=CC[C@H]1CCN1C(=O)[C@H](c1ccccc1)N(C)CC ZINC000890560254 617651697 /nfs/dbraw/zinc/65/16/97/617651697.db2.gz ILVAJYKLNOVQLL-HOTGVXAUSA-N 0 1 272.392 2.856 20 30 CFEDMN N#Cc1cc(C[N@@H+](C[C@@H]2CCOC2)C2CC2)cs1 ZINC000891596090 617680237 /nfs/dbraw/zinc/68/02/37/617680237.db2.gz KHDQRKGQYXFZFI-NSHDSACASA-N 0 1 262.378 2.621 20 30 CFEDMN C#C[C@@H]1CCCCN1C(=O)c1ccc(O)c(Cl)c1 ZINC000890648211 617733313 /nfs/dbraw/zinc/73/33/13/617733313.db2.gz VFTVOOXWHRYPLV-LLVKDONJSA-N 0 1 263.724 2.674 20 30 CFEDMN CN(CCC#N)c1ccc(C=NOC2CCC2)cc1 ZINC000812235922 617747645 /nfs/dbraw/zinc/74/76/45/617747645.db2.gz SABQDCFFIUZCCQ-UHFFFAOYSA-N 0 1 257.337 2.939 20 30 CFEDMN CCCCCCCCN1CC[C@H]2CC[C@@H](C1)S2(=O)=O ZINC000859873020 617749570 /nfs/dbraw/zinc/74/95/70/617749570.db2.gz LSUSLHQOWRSPRB-CABCVRRESA-N 0 1 287.469 2.998 20 30 CFEDMN N#CC(C(=O)[C@H]1CC=CCC1)c1nnc2n1CCCCC2 ZINC000120623407 617750402 /nfs/dbraw/zinc/75/04/02/617750402.db2.gz DMUZBKUENUMLOL-QWHCGFSZSA-N 0 1 284.363 2.537 20 30 CFEDMN N#CC(C(=O)[C@H]1CC=CCC1)c1nnc2n1CCCCC2 ZINC000120623258 617750586 /nfs/dbraw/zinc/75/05/86/617750586.db2.gz DMUZBKUENUMLOL-STQMWFEESA-N 0 1 284.363 2.537 20 30 CFEDMN CC[C@H](CC#N)NC[C@H]1CCCN1C(=O)OC(C)(C)C ZINC000234039907 617818905 /nfs/dbraw/zinc/81/89/05/617818905.db2.gz ZPMSDSYHPZMUES-CHWSQXEVSA-N 0 1 281.400 2.668 20 30 CFEDMN Cc1ccc(N=NCc2ccnn2C2CCC2)nc1 ZINC000901183077 620758784 /nfs/dbraw/zinc/75/87/84/620758784.db2.gz DAJJFPMFCJLIRA-UHFFFAOYSA-N 0 1 255.325 2.758 20 30 CFEDMN Cc1ncccc1/C=C\C(=O)c1ccc(O)cc1O ZINC000255426012 617891093 /nfs/dbraw/zinc/89/10/93/617891093.db2.gz CQCFVCSWALDGTH-DAXSKMNVSA-N 0 1 255.273 2.697 20 30 CFEDMN C=C(C)CCN1CCn2nc(C(F)(F)F)cc2C1 ZINC000932594281 617896445 /nfs/dbraw/zinc/89/64/45/617896445.db2.gz FHRMCNOJMCWUPT-UHFFFAOYSA-N 0 1 259.275 2.684 20 30 CFEDMN CCOc1ccc(C=NNc2cc(C)nc(C)n2)o1 ZINC000901169529 620761000 /nfs/dbraw/zinc/76/10/00/620761000.db2.gz FNKHGWOWFZWCTF-UHFFFAOYSA-N 0 1 260.297 2.531 20 30 CFEDMN CO[C@H]1CC[C@@H]1N(C)CC#Cc1ccccc1Cl ZINC000934105358 617902150 /nfs/dbraw/zinc/90/21/50/617902150.db2.gz NXISCSBKQLRTCZ-GJZGRUSLSA-N 0 1 263.768 2.801 20 30 CFEDMN CC(C)NC(=O)C(C#N)C(=O)CC(C)(C)c1ccccc1 ZINC000119634975 617941542 /nfs/dbraw/zinc/94/15/42/617941542.db2.gz WEIJOEBFKVKVHW-AWEZNQCLSA-N 0 1 286.375 2.588 20 30 CFEDMN CCn1cc(/C=C\C(=O)c2cc(F)ccc2O)cn1 ZINC000255475273 617976696 /nfs/dbraw/zinc/97/66/96/617976696.db2.gz SEELBIQVRFKRGF-HYXAFXHYSA-N 0 1 260.268 2.644 20 30 CFEDMN C[C@@H]1CCN(Cc2ccccc2)CC1N=Nc1ccnn1C ZINC000901220088 620767651 /nfs/dbraw/zinc/76/76/51/620767651.db2.gz JRSLDQHTUMDFRZ-CQSZACIVSA-N 0 1 297.406 2.730 20 30 CFEDMN C#C[C@H]1CCC[N@@H+](Cc2cc(Br)ccc2[O-])C1 ZINC000848923196 618035209 /nfs/dbraw/zinc/03/52/09/618035209.db2.gz BCGLZVOYUFGEMU-NSHDSACASA-N 0 1 294.192 3.000 20 30 CFEDMN C#C[C@H]1CCC[N@H+](Cc2cc(Br)ccc2[O-])C1 ZINC000848923196 618035214 /nfs/dbraw/zinc/03/52/14/618035214.db2.gz BCGLZVOYUFGEMU-NSHDSACASA-N 0 1 294.192 3.000 20 30 CFEDMN C=CC[C@@H]1CCN1Cc1ccc(C(=O)OC)c(F)c1 ZINC000934465589 618043409 /nfs/dbraw/zinc/04/34/09/618043409.db2.gz MUZLRSIHRCPPRZ-GFCCVEGCSA-N 0 1 263.312 2.763 20 30 CFEDMN C=CC[C@@H]1CCN1C[C@@H](O)c1ccc(F)cc1F ZINC000934471595 618047149 /nfs/dbraw/zinc/04/71/49/618047149.db2.gz VLRIJWQDIBOZKP-BXUZGUMPSA-N 0 1 253.292 2.649 20 30 CFEDMN C[C@]1(C2CC2)COCCN1Cc1ccc(C#N)cc1 ZINC000934479070 618050850 /nfs/dbraw/zinc/05/08/50/618050850.db2.gz ZVNNBCHLKJWHSU-MRXNPFEDSA-N 0 1 256.349 2.559 20 30 CFEDMN CC(C)(C)CCC(=O)C(C#N)C(=O)NC1CCCC1 ZINC000121835548 618080424 /nfs/dbraw/zinc/08/04/24/618080424.db2.gz JRFFTJYWTFEVHE-GFCCVEGCSA-N 0 1 264.369 2.580 20 30 CFEDMN CCCCCCCCC(=O)N[C@@H](C)c1nnc[nH]1 ZINC000176743767 618106379 /nfs/dbraw/zinc/10/63/79/618106379.db2.gz VMCMAQLYEWXWPL-NSHDSACASA-N 0 1 252.362 2.733 20 30 CFEDMN CCCCCCCC(=O)N[C@H](CCC)c1nn[nH]n1 ZINC000176748727 618108880 /nfs/dbraw/zinc/10/88/80/618108880.db2.gz ZQIBWIJJGAXDIC-LLVKDONJSA-N 0 1 267.377 2.518 20 30 CFEDMN N#CCC[C@@H](C#N)CN1CCC[C@H](C2CCOCC2)C1 ZINC000933081159 618150746 /nfs/dbraw/zinc/15/07/46/618150746.db2.gz GOXVMLDIVDEAOJ-HOCLYGCPSA-N 0 1 275.396 2.569 20 30 CFEDMN N#CCC[C@H](C#N)CN1CCC[C@H](C2CCOCC2)C1 ZINC000933081160 618150892 /nfs/dbraw/zinc/15/08/92/618150892.db2.gz GOXVMLDIVDEAOJ-ZBFHGGJFSA-N 0 1 275.396 2.569 20 30 CFEDMN C#CCOc1ccccc1CN(C)C[C@@H]1CCCCO1 ZINC000077210762 618156271 /nfs/dbraw/zinc/15/62/71/618156271.db2.gz GNESAHLARXHZOG-INIZCTEOSA-N 0 1 273.376 2.700 20 30 CFEDMN Cc1csc(C(C#N)C(=O)C=Cc2cncc(F)c2)n1 ZINC000255322765 618197115 /nfs/dbraw/zinc/19/71/15/618197115.db2.gz JJPDBABMJAOVAT-ZZKXABKFSA-N 0 1 287.319 2.875 20 30 CFEDMN C=CCCNC1(c2ncc(Br)cn2)CCC1 ZINC000933318589 618198929 /nfs/dbraw/zinc/19/89/29/618198929.db2.gz MGIXRHLNCZPQBH-UHFFFAOYSA-N 0 1 282.185 2.784 20 30 CFEDMN N#Cc1ccc(O)c(NC(=O)CCOCc2ccccc2)c1 ZINC000176816012 618205304 /nfs/dbraw/zinc/20/53/04/618205304.db2.gz BGQZGUGIKNFTAD-UHFFFAOYSA-N 0 1 296.326 2.809 20 30 CFEDMN N#Cc1ccc(O)c(NC(=O)Cc2ccc(F)cc2)c1 ZINC000176822364 618206056 /nfs/dbraw/zinc/20/60/56/618206056.db2.gz UPEZSTNTUWZMAZ-UHFFFAOYSA-N 0 1 270.263 2.584 20 30 CFEDMN CCOc1ccc(C(=O)Nc2cc(C#N)ccc2O)cc1 ZINC000176827160 618207604 /nfs/dbraw/zinc/20/76/04/618207604.db2.gz KMUDXOFECAKYFF-UHFFFAOYSA-N 0 1 282.299 2.915 20 30 CFEDMN CCOc1ccc(CC(=O)Nc2cc(C#N)ccc2O)cc1 ZINC000176826820 618207748 /nfs/dbraw/zinc/20/77/48/618207748.db2.gz YZVFFKRROAZDSQ-UHFFFAOYSA-N 0 1 296.326 2.844 20 30 CFEDMN Cc1ccccc1C(=O)Nc1cc(C#N)ccc1O ZINC000176832622 618207900 /nfs/dbraw/zinc/20/79/00/618207900.db2.gz PMZNUJZXEVLYTN-UHFFFAOYSA-N 0 1 252.273 2.825 20 30 CFEDMN CCC(=NN[C@@H]1CCCC[C@H]1O)c1ccc(Cl)c(N)c1 ZINC000901334269 620787621 /nfs/dbraw/zinc/78/76/21/620787621.db2.gz INEASKGXNLRNHH-HUUCEWRRSA-N 0 1 295.814 2.929 20 30 CFEDMN Cc1ccc(OCC(=O)Nc2cc(C#N)ccc2O)cc1C ZINC000176832749 618210294 /nfs/dbraw/zinc/21/02/94/618210294.db2.gz BBNHHDSWAPEUCB-UHFFFAOYSA-N 0 1 296.326 2.898 20 30 CFEDMN Cc1ccc(F)c(C(=O)Nc2cc(C#N)ccc2O)c1 ZINC000176833868 618210374 /nfs/dbraw/zinc/21/03/74/618210374.db2.gz GILBLHFHBTZABH-UHFFFAOYSA-N 0 1 270.263 2.964 20 30 CFEDMN C#CC[N@@H+]1CCC[C@@H](CNC(=O)c2ccc(C(C)C)cc2)C1 ZINC001023714827 618215983 /nfs/dbraw/zinc/21/59/83/618215983.db2.gz VILLEPGZZHGVGK-INIZCTEOSA-N 0 1 298.430 2.885 20 30 CFEDMN C[C@@H](c1ccc(C#N)cc1)N(C)Cc1cccc(=O)[nH]1 ZINC000933398419 618219044 /nfs/dbraw/zinc/21/90/44/618219044.db2.gz LRIXJLWUGAQANE-LBPRGKRZSA-N 0 1 267.332 2.852 20 30 CFEDMN C[C@H](c1ccc(C#N)cc1)N(C)Cc1cccc(=O)[nH]1 ZINC000933398417 618219137 /nfs/dbraw/zinc/21/91/37/618219137.db2.gz LRIXJLWUGAQANE-GFCCVEGCSA-N 0 1 267.332 2.852 20 30 CFEDMN CC(C)n1cc(/C=C/C(=O)c2ccc(O)cc2O)cn1 ZINC000176954300 618247059 /nfs/dbraw/zinc/24/70/59/618247059.db2.gz SBFVAPUPYFJIIM-ZZXKWVIFSA-N 0 1 272.304 2.771 20 30 CFEDMN CCOCc1nc(Cl)cc(N=NCc2ccoc2)n1 ZINC000901313885 620789694 /nfs/dbraw/zinc/78/96/94/620789694.db2.gz YKALWAVNWKFCDR-UHFFFAOYSA-N 0 1 280.715 2.706 20 30 CFEDMN CCN(CC#N)Cc1cc(Br)cc(F)c1O ZINC000893969865 618256441 /nfs/dbraw/zinc/25/64/41/618256441.db2.gz SJJBSVOLXFWJCK-UHFFFAOYSA-N 0 1 287.132 2.639 20 30 CFEDMN CCN(Cc1cc(F)cc(F)c1O)C[C@@H](C)C#N ZINC000893995650 618262069 /nfs/dbraw/zinc/26/20/69/618262069.db2.gz SIFVXCAUPYUIHW-VIFPVBQESA-N 0 1 254.280 2.652 20 30 CFEDMN Fc1ccc(F)c(N=NCc2cc3n(n2)CCCC3)c1 ZINC000901320021 620791110 /nfs/dbraw/zinc/79/11/10/620791110.db2.gz KAHFXHRRMDWGLY-UHFFFAOYSA-N 0 1 276.290 2.944 20 30 CFEDMN C=CCN1CCC[C@@H](NC(=O)CC2CC(C)(C)C2)C1 ZINC001008284414 618275455 /nfs/dbraw/zinc/27/54/55/618275455.db2.gz ZSWFPOSGWLLDOT-CQSZACIVSA-N 0 1 264.413 2.579 20 30 CFEDMN Fc1cc(F)c(N=NC2C[N@H+]3C[C@@H]2CCC3)c(F)c1 ZINC000901321789 620791748 /nfs/dbraw/zinc/79/17/48/620791748.db2.gz YDNUUTRJEHNQPF-QMMMGPOBSA-N 0 1 269.270 2.597 20 30 CFEDMN Fc1cc(F)c(N=NC2CN3C[C@@H]2CCC3)c(F)c1 ZINC000901321789 620791751 /nfs/dbraw/zinc/79/17/51/620791751.db2.gz YDNUUTRJEHNQPF-QMMMGPOBSA-N 0 1 269.270 2.597 20 30 CFEDMN Cn1cc(CNCc2ccc(CC#N)cc2)c(C2CC2)n1 ZINC000895091334 618285032 /nfs/dbraw/zinc/28/50/32/618285032.db2.gz VBJFBOKKYPZFCO-UHFFFAOYSA-N 0 1 280.375 2.653 20 30 CFEDMN C=C(C)CN1CCCC[C@H]1CNC(=O)c1cnc(C)s1 ZINC001024358173 618300705 /nfs/dbraw/zinc/30/07/05/618300705.db2.gz BHCSBCUUPXAVNM-ZDUSSCGKSA-N 0 1 293.436 2.612 20 30 CFEDMN C=CCN1CCCC[C@H]1CNC(=O)c1cscc1C ZINC001024381018 618302911 /nfs/dbraw/zinc/30/29/11/618302911.db2.gz WBHGFOHLZBMSLB-ZDUSSCGKSA-N 0 1 278.421 2.827 20 30 CFEDMN C#CCN1CCCC[C@@H]1CNC(=O)[C@H]1CCC(C)=C(C)C1 ZINC001024454992 618319434 /nfs/dbraw/zinc/31/94/34/618319434.db2.gz IXTXJFXAGZKJGL-DLBZAZTESA-N 0 1 288.435 2.727 20 30 CFEDMN C=CCN1CCCC[C@H]1CNC(=O)[C@@H]1CCC(F)(F)C1 ZINC001024473605 618325181 /nfs/dbraw/zinc/32/51/81/618325181.db2.gz GTCYFUCRZLQQEU-OLZOCXBDSA-N 0 1 286.366 2.579 20 30 CFEDMN C=CCN1CCCC[C@@H]1CNC(=O)c1[nH]ccc1C1CC1 ZINC001024471490 618326143 /nfs/dbraw/zinc/32/61/43/618326143.db2.gz GHVWUHWVHDKQEF-CQSZACIVSA-N 0 1 287.407 2.662 20 30 CFEDMN Cc1cc(C(C#N)C(=O)C[C@@H]2CCC3(CCC3)O2)nc(C)n1 ZINC000892476958 618337936 /nfs/dbraw/zinc/33/79/36/618337936.db2.gz UHPYTLCCUWCGLS-UONOGXRCSA-N 0 1 299.374 2.762 20 30 CFEDMN Cc1cc(C(C#N)C(=O)C[C@@H]2CCC3(CCC3)O2)nc(C)n1 ZINC000892476955 618338099 /nfs/dbraw/zinc/33/80/99/618338099.db2.gz UHPYTLCCUWCGLS-KBPBESRZSA-N 0 1 299.374 2.762 20 30 CFEDMN C=C(C)CN1CCC[C@H](NC(=O)C2CCC(=C)CC2)C1 ZINC001008414392 618339583 /nfs/dbraw/zinc/33/95/83/618339583.db2.gz ZJHAXBKTGSDIQS-INIZCTEOSA-N 0 1 276.424 2.890 20 30 CFEDMN C=CCN1CCCC[C@@H]1CNC(=O)[C@@H]1CCCC12CC2 ZINC001024507561 618339647 /nfs/dbraw/zinc/33/96/47/618339647.db2.gz WMWPSCRETVYOMW-CABCVRRESA-N 0 1 276.424 2.723 20 30 CFEDMN C=CCN1CCCC[C@@H]1CNC(=O)C12CCC(CC1)C2 ZINC001024511834 618341869 /nfs/dbraw/zinc/34/18/69/618341869.db2.gz JNOHXLOJDBHKEK-ISXOHVOVSA-N 0 1 276.424 2.723 20 30 CFEDMN COc1ccc(CNCc2ccc(O[C@H](C)C#N)cc2)cn1 ZINC000237236642 618352217 /nfs/dbraw/zinc/35/22/17/618352217.db2.gz ADVKDHQYRZIFAE-CYBMUJFWSA-N 0 1 297.358 2.671 20 30 CFEDMN N#CC(C(=O)[C@@H]1CCOC2(CCC2)C1)c1ccccn1 ZINC000892482997 618361703 /nfs/dbraw/zinc/36/17/03/618361703.db2.gz ITCUUNHIOITYQA-OLZOCXBDSA-N 0 1 270.332 2.607 20 30 CFEDMN C#CCN1CCCC[C@H]1CNC(=O)C1CCC2(CC2)CC1 ZINC001024559113 618369736 /nfs/dbraw/zinc/36/97/36/618369736.db2.gz SSJGDLPKZCNVGV-INIZCTEOSA-N 0 1 288.435 2.561 20 30 CFEDMN C[C@@H](O)[C@H]1CCCN1Cc1cc(Cl)cc(C#N)c1 ZINC000931022971 618373551 /nfs/dbraw/zinc/37/35/51/618373551.db2.gz QYLQKJNYIOJXHO-QMTHXVAHSA-N 0 1 264.756 2.557 20 30 CFEDMN C[C@H](O)[C@H]1CCCN1Cc1cc(Cl)cc(C#N)c1 ZINC000931022962 618373694 /nfs/dbraw/zinc/37/36/94/618373694.db2.gz QYLQKJNYIOJXHO-IINYFYTJSA-N 0 1 264.756 2.557 20 30 CFEDMN CN(Cc1csc(C#N)c1)C[C@H](O)c1cccc(C#N)c1 ZINC000895141312 618374379 /nfs/dbraw/zinc/37/43/79/618374379.db2.gz JQWRMXBTVNXAMB-INIZCTEOSA-N 0 1 297.383 2.657 20 30 CFEDMN C=CCN1CCCC[C@@H]1CNC(=O)c1cc(F)ccc1C ZINC001024578687 618390119 /nfs/dbraw/zinc/39/01/19/618390119.db2.gz ZHGCRANZOAFONC-OAHLLOKOSA-N 0 1 290.382 2.904 20 30 CFEDMN C#CCn1ccc(CN(CC)CC2(C(C)C)CC2)n1 ZINC000877484795 618394423 /nfs/dbraw/zinc/39/44/23/618394423.db2.gz OCCRNVCPPULQLB-UHFFFAOYSA-N 0 1 259.397 2.774 20 30 CFEDMN N#CC1CCN(C[C@@H](O)c2ccc(Cl)cc2)CC1 ZINC000141988813 618402447 /nfs/dbraw/zinc/40/24/47/618402447.db2.gz YOAMIGZOQWKPRI-CQSZACIVSA-N 0 1 264.756 2.609 20 30 CFEDMN Cc1cc(C)c(/C=C\CN[C@@H]2CCCN(O)C2=O)cc1C ZINC000895156947 618403699 /nfs/dbraw/zinc/40/36/99/618403699.db2.gz JFHQKBCQIIUOSI-DQOPKJQZSA-N 0 1 288.391 2.595 20 30 CFEDMN C[C@@H](CC#N)NC(=O)c1cccc2nc(C(F)F)[nH]c21 ZINC000931155984 618427798 /nfs/dbraw/zinc/42/77/98/618427798.db2.gz AALYEIBJMKBBJA-ZETCQYMHSA-N 0 1 278.262 2.532 20 30 CFEDMN CC#CCN1CCCC[C@@H]1CNC(=O)C1CCC(F)CC1 ZINC001024637663 618428978 /nfs/dbraw/zinc/42/89/78/618428978.db2.gz MSRLWQRZSJVADE-UYSNPLJNSA-N 0 1 294.414 2.509 20 30 CFEDMN C=CCN1CCCC[C@H]1CNC(=O)[C@@H]1C[C@H]1c1ccco1 ZINC001024670402 618438003 /nfs/dbraw/zinc/43/80/03/618438003.db2.gz PIXQJZBBJRBGEP-RRFJBIMHSA-N 0 1 288.391 2.540 20 30 CFEDMN C=CCN1CCCC[C@@H]1CNC(=O)c1cc(C)cc(F)c1 ZINC001024671945 618438120 /nfs/dbraw/zinc/43/81/20/618438120.db2.gz OKSCSPGHXUXOGP-MRXNPFEDSA-N 0 1 290.382 2.904 20 30 CFEDMN COc1ccc(CNN=Cc2cc(F)c(O)c(F)c2)cc1 ZINC000749857861 618444007 /nfs/dbraw/zinc/44/40/07/618444007.db2.gz IJGCNEOIINWZID-UHFFFAOYSA-N 0 1 292.285 2.803 20 30 CFEDMN CC#CCN1CCCC[C@@H]1CNC(=O)c1csc(C)c1 ZINC001024705888 618448833 /nfs/dbraw/zinc/44/88/33/618448833.db2.gz ONUJHIRVHHGBOW-OAHLLOKOSA-N 0 1 290.432 2.664 20 30 CFEDMN C=CCN1CCCC[C@@H]1CNC(=O)c1c[nH]cc1C1CC1 ZINC001024739268 618457534 /nfs/dbraw/zinc/45/75/34/618457534.db2.gz ZMJRMSKPTDJHGV-CQSZACIVSA-N 0 1 287.407 2.662 20 30 CFEDMN CC#CCN1CCCC[C@H]1CNC(=O)[C@H]1CC12CCCC2 ZINC001024745199 618459318 /nfs/dbraw/zinc/45/93/18/618459318.db2.gz QDIPPLPHKAVFMB-JKSUJKDBSA-N 0 1 288.435 2.561 20 30 CFEDMN CCc1oc(C(=O)C(C#N)C(=O)Nc2ccccn2)cc1C ZINC000162683524 618459400 /nfs/dbraw/zinc/45/94/00/618459400.db2.gz NZWFQRAVAZPRPB-NSHDSACASA-N 0 1 297.314 2.507 20 30 CFEDMN C=CC[N@H+]1CCCC[C@@H]1CNC(=O)[C@@H]1CC12CCCC2 ZINC001024744770 618459773 /nfs/dbraw/zinc/45/97/73/618459773.db2.gz FLVHWUCJLXCKRB-CABCVRRESA-N 0 1 276.424 2.723 20 30 CFEDMN C=CCN1CCCC[C@@H]1CNC(=O)[C@@H]1CC12CCCC2 ZINC001024744770 618459776 /nfs/dbraw/zinc/45/97/76/618459776.db2.gz FLVHWUCJLXCKRB-CABCVRRESA-N 0 1 276.424 2.723 20 30 CFEDMN CC#CCN1CCCC[C@@H]1CNC(=O)[C@@H]1CC12CCCC2 ZINC001024745196 618460052 /nfs/dbraw/zinc/46/00/52/618460052.db2.gz QDIPPLPHKAVFMB-CVEARBPZSA-N 0 1 288.435 2.561 20 30 CFEDMN C=CC1CCN(CN2C(=O)[C@@H]3CCCCC[C@H]32)CC1 ZINC000749953455 618464789 /nfs/dbraw/zinc/46/47/89/618464789.db2.gz MPTZNJBEYKVJNU-HUUCEWRRSA-N 0 1 262.397 2.633 20 30 CFEDMN C#CCN1CCC[C@@H](Nc2ccc(C(F)(F)F)nc2)C1 ZINC000895203250 618467352 /nfs/dbraw/zinc/46/73/52/618467352.db2.gz WBGUVVBJPBVYIX-GFCCVEGCSA-N 0 1 283.297 2.610 20 30 CFEDMN C=CCN1CCCC[C@H]1CNC(=O)c1ccc(C2CC2)cn1 ZINC001024782536 618469683 /nfs/dbraw/zinc/46/96/83/618469683.db2.gz JNGQHSMJOZWEFG-INIZCTEOSA-N 0 1 299.418 2.729 20 30 CFEDMN C#C[C@H]1CCCN(Cc2[nH]cc(C(=O)OC)c2C2CC2)C1 ZINC000895207000 618472032 /nfs/dbraw/zinc/47/20/32/618472032.db2.gz ZALGVSWYDFCIIF-LBPRGKRZSA-N 0 1 286.375 2.524 20 30 CFEDMN C#CCN1CCCC[C@@H]1CNC(=O)c1c(C)cc(C)cc1C ZINC001024791182 618473070 /nfs/dbraw/zinc/47/30/70/618473070.db2.gz WFNQANDAYZMQMK-QGZVFWFLSA-N 0 1 298.430 2.829 20 30 CFEDMN Cc1cc(=NN=Cc2nc(-c3ccccc3)no2)nc(C)[nH]1 ZINC000726421038 618473433 /nfs/dbraw/zinc/47/34/33/618473433.db2.gz ZTDSLGWYKYMMJA-UHFFFAOYSA-N 0 1 294.318 2.589 20 30 CFEDMN C=CCOc1ccccc1CNC[C@H]1CC(C)=NO1 ZINC000895309548 618525960 /nfs/dbraw/zinc/52/59/60/618525960.db2.gz CGHPLEARMVPXLJ-CQSZACIVSA-N 0 1 260.337 2.506 20 30 CFEDMN C=CCNN=C(C)c1[nH]c(-c2ccccc2)nc1C ZINC000795004058 618527866 /nfs/dbraw/zinc/52/78/66/618527866.db2.gz TVHBQWHDUHTAMK-UHFFFAOYSA-N 0 1 254.337 2.885 20 30 CFEDMN CCN(CC)c1ccc(C=NOCCCOC)c(O)c1 ZINC000795055664 618543488 /nfs/dbraw/zinc/54/34/88/618543488.db2.gz NVLVBXXBYBPUDE-UHFFFAOYSA-N 0 1 280.368 2.625 20 30 CFEDMN C#CC[C@H]1CC[N@H+](Cc2cc(F)cc(F)c2[O-])C1 ZINC000895389691 618563309 /nfs/dbraw/zinc/56/33/09/618563309.db2.gz GHBKCSLFMOMGPW-JTQLQIEISA-N 0 1 251.276 2.516 20 30 CFEDMN C[C@@H]1CCN(Cc2csc(C#N)c2)C[C@H](C)O1 ZINC000895403582 618574713 /nfs/dbraw/zinc/57/47/13/618574713.db2.gz NFAPTVRVXXZFMI-MNOVXSKESA-N 0 1 250.367 2.619 20 30 CFEDMN C=C(Cl)CN[C@H]1CCN(C(=O)[C@@H]2C[C@@H]3C=C[C@H]2CC3)C1 ZINC001018873168 618715816 /nfs/dbraw/zinc/71/58/16/618715816.db2.gz MKUJUJAKJFWIPD-CBBWQLFWSA-N 0 1 294.826 2.532 20 30 CFEDMN CCCCCCCC[N@H+]1CC[C@@](COC)(C(=O)[O-])C1 ZINC000311810199 618723940 /nfs/dbraw/zinc/72/39/40/618723940.db2.gz BARILYBJTCQNEF-OAHLLOKOSA-N 0 1 271.401 2.770 20 30 CFEDMN C=C(C)CN1CCC[C@H](NC(=O)c2ccc(C)s2)C1 ZINC001006588732 618848969 /nfs/dbraw/zinc/84/89/69/618848969.db2.gz YQRYTHGMSXXCFA-ZDUSSCGKSA-N 0 1 278.421 2.827 20 30 CFEDMN C#Cc1cncc(-c2noc([C@@H]3CCCN3C(C)C)n2)c1 ZINC000924095366 618852945 /nfs/dbraw/zinc/85/29/45/618852945.db2.gz HCDNRRDJPSNUDW-AWEZNQCLSA-N 0 1 282.347 2.658 20 30 CFEDMN C=C(C)CN1CCC[C@@H](NC(=O)c2cc(C(C)C)on2)C1 ZINC001008075505 618912811 /nfs/dbraw/zinc/91/28/11/618912811.db2.gz FMOGDNGBZQSBBD-CYBMUJFWSA-N 0 1 291.395 2.568 20 30 CFEDMN C=CC[C@@H](CO)CN[C@@H]1COCc2cccc(Cl)c21 ZINC000925694852 618942830 /nfs/dbraw/zinc/94/28/30/618942830.db2.gz GKNANZKMEODDPN-BXUZGUMPSA-N 0 1 281.783 2.686 20 30 CFEDMN C=CCN1CCC[C@@H](NC(=O)c2cccc(F)c2Cl)C1 ZINC001008655784 618957030 /nfs/dbraw/zinc/95/70/30/618957030.db2.gz ATIHXUXHALWQTP-LLVKDONJSA-N 0 1 296.773 2.859 20 30 CFEDMN C=C(C)CN1CCC[C@@H](NC(=O)[C@H]2CC[C@H](C)CC2)C1 ZINC001009274147 618986687 /nfs/dbraw/zinc/98/66/87/618986687.db2.gz NBXQBOMJBKWIBS-BZUAXINKSA-N 0 1 278.440 2.969 20 30 CFEDMN CCc1ncc(CN(C)CCc2cccc(C#N)c2)o1 ZINC000931511115 619016874 /nfs/dbraw/zinc/01/68/74/619016874.db2.gz XXTNCURDUXXLJX-UHFFFAOYSA-N 0 1 269.348 2.783 20 30 CFEDMN Cc1cc(C#N)cc(C)c1CN[C@@H](C)c1ccnn1C ZINC000931560809 619047044 /nfs/dbraw/zinc/04/70/44/619047044.db2.gz XLMUQDOTHSTIMR-ZDUSSCGKSA-N 0 1 268.364 2.759 20 30 CFEDMN CN(CCc1ccccn1)Cc1csc(C#N)c1 ZINC000893541323 619049981 /nfs/dbraw/zinc/04/99/81/619049981.db2.gz WIJYVPOQXLLJTQ-UHFFFAOYSA-N 0 1 257.362 2.689 20 30 CFEDMN C[C@H](CC(C)(C)C#N)N[C@@H](c1nnc[nH]1)c1ccccc1 ZINC000893559085 619071643 /nfs/dbraw/zinc/07/16/43/619071643.db2.gz GJXFJWDZSPHOKQ-TZMCWYRMSA-N 0 1 283.379 2.812 20 30 CFEDMN COC[C@H](C)NN=Cc1ccc(N2CCCCC2)s1 ZINC000777894219 619096786 /nfs/dbraw/zinc/09/67/86/619096786.db2.gz GXKWORXDKLKWKD-LBPRGKRZSA-N 0 1 281.425 2.697 20 30 CFEDMN Cc1cc(F)c(C#N)c(N[C@H]2CCc3[nH]cnc3C2)c1 ZINC000893914526 619242880 /nfs/dbraw/zinc/24/28/80/619242880.db2.gz NXZUJYNPECPDDB-JTQLQIEISA-N 0 1 270.311 2.698 20 30 CFEDMN COc1ncccc1CNCc1ccc(O[C@H](C)C#N)cc1 ZINC000237122994 619271736 /nfs/dbraw/zinc/27/17/36/619271736.db2.gz IWGCIGBLLDKSLJ-CYBMUJFWSA-N 0 1 297.358 2.671 20 30 CFEDMN C[C@H](CC(C)(C)C#N)NCc1nccn1CC(F)(F)F ZINC000924930552 619286625 /nfs/dbraw/zinc/28/66/25/619286625.db2.gz LMVACMJLQJUWRF-SNVBAGLBSA-N 0 1 288.317 2.863 20 30 CFEDMN CC(C)NC(=O)C(C#N)C(=O)CCC1CCCCC1 ZINC000048542679 619353740 /nfs/dbraw/zinc/35/37/40/619353740.db2.gz FLBJUFYKQFAQHU-ZDUSSCGKSA-N 0 1 264.369 2.580 20 30 CFEDMN C#C[C@H](N[C@@H]1COC2(CCC2)C1)c1ccc(F)cc1 ZINC000894574354 619422251 /nfs/dbraw/zinc/42/22/51/619422251.db2.gz DGLNORKRPREBAK-GJZGRUSLSA-N 0 1 259.324 2.801 20 30 CFEDMN COC(=O)c1[nH]c2ccccc2c1CNCC1(CC#N)CC1 ZINC000894643192 619435002 /nfs/dbraw/zinc/43/50/02/619435002.db2.gz DIIBAMWBFPLPEB-UHFFFAOYSA-N 0 1 297.358 2.738 20 30 CFEDMN CC(C)n1nccc1C=NNc1cccc(Cl)n1 ZINC000793162009 619533956 /nfs/dbraw/zinc/53/39/56/619533956.db2.gz OWQUUWJFUVUSJV-UHFFFAOYSA-N 0 1 263.732 2.958 20 30 CFEDMN N#Cc1ccc(CN2CC(CC3CCOCC3)C2)cc1F ZINC000895614940 619567910 /nfs/dbraw/zinc/56/79/10/619567910.db2.gz DSHINGGGENADPM-UHFFFAOYSA-N 0 1 288.366 2.946 20 30 CFEDMN C#CCN1CCC(Nc2ncnc3sc(C)cc32)CC1 ZINC000895808216 619612501 /nfs/dbraw/zinc/61/25/01/619612501.db2.gz CWSFZNUGDVMSIO-UHFFFAOYSA-N 0 1 286.404 2.509 20 30 CFEDMN CC1(C)CC[C@H](CO)N(Cc2cc(C#N)cs2)C1 ZINC000895922974 619635233 /nfs/dbraw/zinc/63/52/33/619635233.db2.gz NKIPIEJSUOOLOX-GFCCVEGCSA-N 0 1 264.394 2.603 20 30 CFEDMN CO[C@@H]1CC[C@@H](C)N(Cc2cc(C#N)cs2)C1 ZINC000895929446 619637641 /nfs/dbraw/zinc/63/76/41/619637641.db2.gz ZWSRAQFLVHURDY-ZYHUDNBSSA-N 0 1 250.367 2.619 20 30 CFEDMN C=CCOc1ccccc1CN1CC[C@@H](c2noc(C)n2)C1 ZINC000896236219 619701266 /nfs/dbraw/zinc/70/12/66/619701266.db2.gz FFTHOBOISKZNQL-OAHLLOKOSA-N 0 1 299.374 2.932 20 30 CFEDMN C[C@H](CCC#N)CN[C@@H]1c2ccccc2OC[C@H]1F ZINC000896424322 619735192 /nfs/dbraw/zinc/73/51/92/619735192.db2.gz ZZQLBLQIFBNDFE-UXIGCNINSA-N 0 1 262.328 2.988 20 30 CFEDMN N#CC[C@H](NCc1cccc(Cl)c1O)C(F)(F)F ZINC000896698578 619793588 /nfs/dbraw/zinc/79/35/88/619793588.db2.gz JLTCVAFWBDTCCQ-VIFPVBQESA-N 0 1 278.661 2.980 20 30 CFEDMN C=C1CC(C)(c2noc([C@H]3CCc4cnc(C)n4C3)n2)C1 ZINC000896927434 619893781 /nfs/dbraw/zinc/89/37/81/619893781.db2.gz LTWAMZOVDBRXCP-LBPRGKRZSA-N 0 1 284.363 2.912 20 30 CFEDMN CO[C@@H]1COC[C@@H]1/N=C/c1cc(Cl)cc(Cl)c1O ZINC000840711037 619925391 /nfs/dbraw/zinc/92/53/91/619925391.db2.gz OHSGNURGVHHREV-PTZTVNSVSA-N 0 1 290.146 2.532 20 30 CFEDMN C#CCN1CCC(NC(=O)C/C=C/c2ccc(C)cc2)CC1 ZINC000928656318 619941936 /nfs/dbraw/zinc/94/19/36/619941936.db2.gz RZFYUTIBYCELQH-SNAWJCMRSA-N 0 1 296.414 2.612 20 30 CFEDMN CC#CCN(C)Cc1ccc(Oc2cnccn2)cc1 ZINC000897165778 619942086 /nfs/dbraw/zinc/94/20/86/619942086.db2.gz BZFOLHZJUWHBOI-UHFFFAOYSA-N 0 1 267.332 2.724 20 30 CFEDMN CC#CCN(C)Cc1ccc(OC)c(OCCCC#N)c1 ZINC000897166413 619942510 /nfs/dbraw/zinc/94/25/10/619942510.db2.gz NLUGNRDDFJEVBO-UHFFFAOYSA-N 0 1 286.375 2.833 20 30 CFEDMN C#CCN1CCC(NC(=O)c2sccc2C(C)C)CC1 ZINC000928657619 619945309 /nfs/dbraw/zinc/94/53/09/619945309.db2.gz QEJDOHIOSIUTIV-UHFFFAOYSA-N 0 1 290.432 2.699 20 30 CFEDMN C[C@@H]1CC(NC(=O)c2cscc2C(F)F)=NO1 ZINC000897252723 619959957 /nfs/dbraw/zinc/95/99/57/619959957.db2.gz KMQQMZZKVMIMKQ-RXMQYKEDSA-N 0 1 260.265 2.538 20 30 CFEDMN N#CC1CCC([NH2+]CCc2c(F)cc([O-])cc2F)CC1 ZINC000897305504 619973905 /nfs/dbraw/zinc/97/39/05/619973905.db2.gz VRKHNNWEPQLOHF-UHFFFAOYSA-N 0 1 280.318 2.885 20 30 CFEDMN CC1(C)CCCC[C@H]1CC(=O)C(C#N)C(=O)N1CCCC1 ZINC000152163544 620005860 /nfs/dbraw/zinc/00/58/60/620005860.db2.gz GOSGIDNKYGZIFO-KBPBESRZSA-N 0 1 290.407 2.924 20 30 CFEDMN C=C(Cl)CN[C@@H]1CCN(C(=O)Cc2ccsc2)[C@H]1C ZINC000985915369 620052194 /nfs/dbraw/zinc/05/21/94/620052194.db2.gz UCMKQLLVWIMQJL-WCQYABFASA-N 0 1 298.839 2.622 20 30 CFEDMN C=C(Cl)CN[C@@H]1CCN(C(=O)CCC2CC2)[C@@H]1C ZINC000986073904 620062403 /nfs/dbraw/zinc/06/24/03/620062403.db2.gz YGGHTHLAHZDUNJ-DGCLKSJQSA-N 0 1 270.804 2.508 20 30 CFEDMN C=C(Cl)CN[C@@H]1CCN(C(=O)CCC2CCC2)[C@@H]1C ZINC000986116917 620068629 /nfs/dbraw/zinc/06/86/29/620068629.db2.gz QDOITTLKEGNFOM-TZMCWYRMSA-N 0 1 284.831 2.898 20 30 CFEDMN C=C(Cl)CN[C@@H]1CCN(C(=O)C2CC(C)(C)C2)[C@H]1C ZINC000986230707 620076799 /nfs/dbraw/zinc/07/67/99/620076799.db2.gz ODAQMWPPDDFZBD-WCQYABFASA-N 0 1 284.831 2.754 20 30 CFEDMN C=C(Cl)CN[C@@H]1CCN(C(=O)c2cc(C)co2)[C@@H]1C ZINC000986654899 620096268 /nfs/dbraw/zinc/09/62/68/620096268.db2.gz DUVISXDIJNEIQU-VXGBXAGGSA-N 0 1 282.771 2.533 20 30 CFEDMN C=C(Cl)CN[C@@H]1C[C@H](C)N(C(=O)c2ccccc2)C1 ZINC000987856132 620156692 /nfs/dbraw/zinc/15/66/92/620156692.db2.gz LWLVDTLKZLIJAW-GXTWGEPZSA-N 0 1 278.783 2.632 20 30 CFEDMN C=C(Cl)CN[C@@H]1C[C@@H](C)N(C(=O)CC2CCC2)C1 ZINC000988482619 620190562 /nfs/dbraw/zinc/19/05/62/620190562.db2.gz UMYTVBNJOYFFHM-DGCLKSJQSA-N 0 1 270.804 2.508 20 30 CFEDMN C=C(Cl)CN[C@@H]1C[C@@H](C)N(C(=O)CCc2ccoc2)C1 ZINC000988570661 620202390 /nfs/dbraw/zinc/20/23/90/620202390.db2.gz YQQAIKZAWZUXGJ-TZMCWYRMSA-N 0 1 296.798 2.544 20 30 CFEDMN C#CCCSc1nc(-c2ccc(OC)cc2)n[nH]1 ZINC000179261386 620218087 /nfs/dbraw/zinc/21/80/87/620218087.db2.gz FUJXLOHTWYPLKR-UHFFFAOYSA-N 0 1 259.334 2.596 20 30 CFEDMN C=C(Cl)CN[C@H]1C[C@@H](C)N(C(=O)C2(F)CCCC2)C1 ZINC000989062347 620230741 /nfs/dbraw/zinc/23/07/41/620230741.db2.gz JBRQMHLRBLTEIQ-NEPJUHHUSA-N 0 1 288.794 2.600 20 30 CFEDMN C#Cc1ccc(C(=O)N[C@@H](C)c2n[nH]c([C@H](C)CC)n2)cc1 ZINC000897556036 620245612 /nfs/dbraw/zinc/24/56/12/620245612.db2.gz DFFDBEDXDYAWKE-NEPJUHHUSA-N 0 1 296.374 2.791 20 30 CFEDMN C=C(C)CN1CCCN(C(=O)[C@H](C)C2CCCC2)CC1 ZINC000989454518 620340785 /nfs/dbraw/zinc/34/07/85/620340785.db2.gz NOKYWOSBXPAZCW-OAHLLOKOSA-N 0 1 278.440 2.923 20 30 CFEDMN CN(C)c1ccc(C#N)cc1CN1CC(Cc2ccoc2)C1 ZINC000898159807 620340884 /nfs/dbraw/zinc/34/08/84/620340884.db2.gz HWUZCAAUUCUPOO-UHFFFAOYSA-N 0 1 295.386 2.892 20 30 CFEDMN C=C(C)CN1CCCN(C(=O)C2(C)CC(F)(F)C2)CC1 ZINC000989459548 620355533 /nfs/dbraw/zinc/35/55/33/620355533.db2.gz YZACJAXLNZQEHO-UHFFFAOYSA-N 0 1 286.366 2.532 20 30 CFEDMN Cc1ncccc1CCNCc1cccc(F)c1C#N ZINC000898251376 620357170 /nfs/dbraw/zinc/35/71/70/620357170.db2.gz AUOWYVPBUSITNA-UHFFFAOYSA-N 0 1 269.323 2.733 20 30 CFEDMN C=C(C)CONC(=O)[C@H](c1ccncc1)C1CCCC1 ZINC000898281464 620364271 /nfs/dbraw/zinc/36/42/71/620364271.db2.gz WYRRHNLWSGKSOD-HNNXBMFYSA-N 0 1 274.364 2.979 20 30 CFEDMN C=CCN1CCCN(C(=O)[C@@H](C)c2ccccc2)CC1 ZINC000989500628 620379517 /nfs/dbraw/zinc/37/95/17/620379517.db2.gz PVOBZJJOYQMQGN-HNNXBMFYSA-N 0 1 272.392 2.510 20 30 CFEDMN C=CCN1CCCN(C(=O)[C@H]2CCCCC2(C)C)CC1 ZINC000989763590 620390041 /nfs/dbraw/zinc/39/00/41/620390041.db2.gz QHERVNPNAQZKOR-OAHLLOKOSA-N 0 1 278.440 2.923 20 30 CFEDMN C=CCN1CCCN(C(=O)c2cccc3c2CCC3)CC1 ZINC000989775239 620391508 /nfs/dbraw/zinc/39/15/08/620391508.db2.gz RTAAHWZGBMACRI-UHFFFAOYSA-N 0 1 284.403 2.509 20 30 CFEDMN C=CCN1CCCN(C(=O)c2coc3ccccc23)CC1 ZINC000989791661 620392549 /nfs/dbraw/zinc/39/25/49/620392549.db2.gz SJFUFRQBJGUFDI-UHFFFAOYSA-N 0 1 284.359 2.767 20 30 CFEDMN CC[C@H]([NH2+][C@@H](C)c1cccc(C#N)c1[O-])C(F)F ZINC000866364444 620392661 /nfs/dbraw/zinc/39/26/61/620392661.db2.gz BQGMUPSFVHZHPH-KWQFWETISA-N 0 1 254.280 2.958 20 30 CFEDMN CCC(=O)N[C@@]12CCC[C@@H]1[N@@H+](Cc1ccc(C#N)cc1)CC2 ZINC000989870804 620396716 /nfs/dbraw/zinc/39/67/16/620396716.db2.gz OISPFTNGPJUJMH-FUHWJXTLSA-N 0 1 297.402 2.581 20 30 CFEDMN C=CCN1CC[C@@]2(NC(=O)c3ccc(C)s3)CCC[C@H]12 ZINC000989916294 620401660 /nfs/dbraw/zinc/40/16/60/620401660.db2.gz RZEWZMZYLZVVCR-HOCLYGCPSA-N 0 1 290.432 2.969 20 30 CFEDMN Cn1cc(-c2nc3ccc(C#N)cc3[nH]2)c(C2CC2)n1 ZINC000899258191 620537486 /nfs/dbraw/zinc/53/74/86/620537486.db2.gz HIPTYJMDPJPFIF-UHFFFAOYSA-N 0 1 263.304 2.712 20 30 CFEDMN C=CC[C@H]1N(Cc2cn(CC)nn2)CCCC1(C)C ZINC000899266983 620537898 /nfs/dbraw/zinc/53/78/98/620537898.db2.gz IALXFCLDNKHERJ-CQSZACIVSA-N 0 1 262.401 2.865 20 30 CFEDMN C#CC[C@H]1C(C)=NN(c2ccc(C(=O)OCC)c(C)c2)C1=O ZINC000899356699 620549894 /nfs/dbraw/zinc/54/98/94/620549894.db2.gz QLTQJVGVKLTNKA-HNNXBMFYSA-N 0 1 298.342 2.534 20 30 CFEDMN C#CCc1c(C)[nH]n(-c2ccc(C(=O)OCC)c(C)c2)c1=O ZINC000899356699 620549896 /nfs/dbraw/zinc/54/98/96/620549896.db2.gz QLTQJVGVKLTNKA-HNNXBMFYSA-N 0 1 298.342 2.534 20 30 CFEDMN Cc1[nH]n(C2CCC(F)(F)CC2)c(=O)c1CCC#N ZINC000899366953 620555377 /nfs/dbraw/zinc/55/53/77/620555377.db2.gz TUXHJCLWMNSWSJ-LLVKDONJSA-N 0 1 269.295 2.702 20 30 CFEDMN CN(C)Cc1cnc(/C=C\c2nc(C#N)cs2)s1 ZINC000901543917 620860027 /nfs/dbraw/zinc/86/00/27/620860027.db2.gz KUZVAFWEGUIUMM-ARJAWSKDSA-N 0 1 276.390 2.703 20 30 CFEDMN C=CC[N@H+](CC(=O)[O-])Cc1ccc2c(c1)CCCC2 ZINC000901587272 620862858 /nfs/dbraw/zinc/86/28/58/620862858.db2.gz WSLPQJJDNSJSIV-UHFFFAOYSA-N 0 1 259.349 2.638 20 30 CFEDMN C=CC[N@@H+](CC(=O)[O-])C[C@]1(C)C[C@H]1c1ccccc1 ZINC000901587372 620863026 /nfs/dbraw/zinc/86/30/26/620863026.db2.gz YAZMQTHAOSVFCP-HOCLYGCPSA-N 0 1 259.349 2.753 20 30 CFEDMN C=CC[N@@H+](CC(=O)[O-])Cc1cccc(Cl)c1C ZINC000901587160 620863360 /nfs/dbraw/zinc/86/33/60/620863360.db2.gz UZXOOYNDRSKHOS-UHFFFAOYSA-N 0 1 253.729 2.721 20 30 CFEDMN C=CCC[C@@H]([NH2+]Cc1ncc(C(C)C)s1)C(=O)[O-] ZINC000901693486 620896885 /nfs/dbraw/zinc/89/68/85/620896885.db2.gz VWKLINOTSYYXTQ-SNVBAGLBSA-N 0 1 268.382 2.776 20 30 CFEDMN C=CCOc1ccccc1C[N@@H+]1CCC[C@@](C)(C(=O)[O-])C1 ZINC000901701411 620898648 /nfs/dbraw/zinc/89/86/48/620898648.db2.gz ZXOXWUFESISOTI-QGZVFWFLSA-N 0 1 289.375 2.938 20 30 CFEDMN C#CCCCCCC[N@@H+]1C[C@@H](C(=O)[O-])[C@H](C2CC2)C1 ZINC000901897551 620936745 /nfs/dbraw/zinc/93/67/45/620936745.db2.gz QQYCNELCARMPJS-LSDHHAIUSA-N 0 1 263.381 2.613 20 30 CFEDMN C#CCCCCCC[N@@H+]1CC[C@@H](C)C[C@@H]1C(=O)[O-] ZINC000902012630 620958006 /nfs/dbraw/zinc/95/80/06/620958006.db2.gz SHCJKWAQYAENPL-ZIAGYGMSSA-N 0 1 251.370 2.755 20 30 CFEDMN C=CCCCCCN(C)CN1C[C@H]([C@@H]2CCCO2)CC1=O ZINC000902155848 620988750 /nfs/dbraw/zinc/98/87/50/620988750.db2.gz BYIOAQLNRXNYFD-CVEARBPZSA-N 0 1 294.439 2.650 20 30 CFEDMN C[C@H](CC(F)(F)F)N[C@H](C)c1cc(C#N)ccn1 ZINC000902958358 621214194 /nfs/dbraw/zinc/21/41/94/621214194.db2.gz ZJVMSEGLJWXEST-RKDXNWHRSA-N 0 1 257.259 2.945 20 30 CFEDMN C=CCC[C@@H](NCc1ncccn1)[C@@]1(C)CCCCO1 ZINC000903054844 621234994 /nfs/dbraw/zinc/23/49/94/621234994.db2.gz RPBMRKUSQZQTSL-GDBMZVCRSA-N 0 1 275.396 2.860 20 30 CFEDMN C=CCC[C@H](NCc1cnn(CC)n1)[C@]1(C)CCCCO1 ZINC000903063512 621238433 /nfs/dbraw/zinc/23/84/33/621238433.db2.gz DKAYHABDDQCQGP-HOTGVXAUSA-N 0 1 292.427 2.682 20 30 CFEDMN C=CCC[C@H](NCc1cn(CC)nn1)[C@]1(C)CCCCO1 ZINC000903049613 621241423 /nfs/dbraw/zinc/24/14/23/621241423.db2.gz BINUDYZHGWYJAG-HOTGVXAUSA-N 0 1 292.427 2.682 20 30 CFEDMN C[C@@H](NCc1cccc2c1CCOC2)c1cc(C#N)ccn1 ZINC000903077477 621244415 /nfs/dbraw/zinc/24/44/15/621244415.db2.gz JYGBONXXEGDTAV-CYBMUJFWSA-N 0 1 293.370 2.877 20 30 CFEDMN C[C@H](Cc1ccc(F)cc1[N+](=O)[O-])NCC(C)(C)C#N ZINC000903102180 621253214 /nfs/dbraw/zinc/25/32/14/621253214.db2.gz TZERROCXFBPLIG-SNVBAGLBSA-N 0 1 279.315 2.804 20 30 CFEDMN N#CC1CCC(C[N@@H+]2CCC[C@@H](CCC(=O)[O-])C2)CC1 ZINC000903404739 621360733 /nfs/dbraw/zinc/36/07/33/621360733.db2.gz LATDJWUJHZPSRK-SLTAFYQDSA-N 0 1 278.396 2.893 20 30 CFEDMN C[C@@]1(C(=O)[O-])CC[N@@H+](Cc2cc(Cl)cc(C#N)c2)C1 ZINC000903405335 621361346 /nfs/dbraw/zinc/36/13/46/621361346.db2.gz QPJIKYQYTFBTPF-CQSZACIVSA-N 0 1 278.739 2.508 20 30 CFEDMN C[C@H]1C[N@@H+](Cc2cc(Cl)cc(C#N)c2)CC[C@@H]1C(=O)[O-] ZINC000903408151 621363450 /nfs/dbraw/zinc/36/34/50/621363450.db2.gz FCYRPSCEBXAPKB-HZMBPMFUSA-N 0 1 292.766 2.754 20 30 CFEDMN C[C@@H]1CC[C@@H](C(=O)[O-])C[N@H+]1Cc1cc(Cl)cc(C#N)c1 ZINC000903409123 621363668 /nfs/dbraw/zinc/36/36/68/621363668.db2.gz WCOSBYYVMGHMLO-ZWNOBZJWSA-N 0 1 292.766 2.897 20 30 CFEDMN N#CCc1cccc2c1CC[N@H+](CCC1(C(=O)[O-])CCC1)C2 ZINC000903706000 621423204 /nfs/dbraw/zinc/42/32/04/621423204.db2.gz CFXXMXCFBKLULT-UHFFFAOYSA-N 0 1 298.386 2.756 20 30 CFEDMN CC[C@@H]1[C@@H](C(=O)N([O-])Cc2ccccc2Cl)CC[N@@H+]1C ZINC000904193623 621547400 /nfs/dbraw/zinc/54/74/00/621547400.db2.gz RHTCBAHQZJFABQ-GXTWGEPZSA-N 0 1 296.798 2.788 20 30 CFEDMN CC[C@@H]1[C@@H](C(=O)N([O-])Cc2ccccc2Cl)CC[N@H+]1C ZINC000904193623 621547404 /nfs/dbraw/zinc/54/74/04/621547404.db2.gz RHTCBAHQZJFABQ-GXTWGEPZSA-N 0 1 296.798 2.788 20 30 CFEDMN N#Cc1sccc1-c1cccc([C@@H]2COCCN2)c1 ZINC000904893886 621673590 /nfs/dbraw/zinc/67/35/90/621673590.db2.gz DTFCJYUGDXKACU-AWEZNQCLSA-N 0 1 270.357 2.948 20 30 CFEDMN CC(C)c1ncc(/C=C2\C(=O)c3ncnn3C2C)s1 ZINC000905083059 621691381 /nfs/dbraw/zinc/69/13/81/621691381.db2.gz AWNQBGBHDFJUBS-YXSUAUNDSA-N 0 1 274.349 2.699 20 30 CFEDMN CC1/C(=C/c2ncc(C(C)(C)C)s2)C(=O)c2ncnn21 ZINC000905087806 621693338 /nfs/dbraw/zinc/69/33/38/621693338.db2.gz ZPDITURUUBXORZ-HXOPTJOXSA-N 0 1 288.376 2.873 20 30 CFEDMN c1ccc2nc(N=NC3C[C@H]4CCC[N@H+](C3)C4)cnc2c1 ZINC000905445662 621766658 /nfs/dbraw/zinc/76/66/58/621766658.db2.gz XAZQOIMLAMJMMM-GFCCVEGCSA-N 0 1 281.363 2.513 20 30 CFEDMN c1ccc2nc(N=NC3C[C@H]4CCCN(C3)C4)cnc2c1 ZINC000905445662 621766661 /nfs/dbraw/zinc/76/66/61/621766661.db2.gz XAZQOIMLAMJMMM-GFCCVEGCSA-N 0 1 281.363 2.513 20 30 CFEDMN CCC(=NN=c1cc[nH]c(N(C)C)n1)c1cccc(C#N)c1 ZINC000905446380 621766698 /nfs/dbraw/zinc/76/66/98/621766698.db2.gz FEDKREWXCWAYNP-UHFFFAOYSA-N 0 1 294.362 2.640 20 30 CFEDMN CCOCc1nc(C)cc(NN=Cc2ccccc2C#N)n1 ZINC000905501533 621782527 /nfs/dbraw/zinc/78/25/27/621782527.db2.gz NPRUTKZHWITDCM-UHFFFAOYSA-N 0 1 295.346 2.639 20 30 CFEDMN COc1ccc2ccccc2c1CCNCCC#N ZINC000905562723 621792124 /nfs/dbraw/zinc/79/21/24/621792124.db2.gz YJNYUDAPYFGOHM-UHFFFAOYSA-N 0 1 254.333 2.894 20 30 CFEDMN CC(C)NCc1cn(Cc2ccccc2C(C)(C)C#N)nn1 ZINC000905811950 621870758 /nfs/dbraw/zinc/87/07/58/621870758.db2.gz PYYBSEITBOUCAQ-UHFFFAOYSA-N 0 1 297.406 2.626 20 30 CFEDMN CC[C@@](O)(CN(C)Cc1ccc(C#N)cc1)C(F)(F)F ZINC000905903591 621893848 /nfs/dbraw/zinc/89/38/48/621893848.db2.gz HYAPWFDAQDYAED-CYBMUJFWSA-N 0 1 286.297 2.693 20 30 CFEDMN N#Cc1c(F)cccc1-c1cnc([C@H]2CCCCN2)nc1 ZINC000906175851 621945163 /nfs/dbraw/zinc/94/51/63/621945163.db2.gz BHRQIOAEAWBCLA-OAHLLOKOSA-N 0 1 282.322 2.969 20 30 CFEDMN C[C@@H]1CN([C@@H]2C[C@H]2c2cccc(F)c2)C[C@H](C)N1CC#N ZINC000906590319 622009252 /nfs/dbraw/zinc/00/92/52/622009252.db2.gz OZJRAPLYEJVGFD-UWWPHRKUSA-N 0 1 287.382 2.600 20 30 CFEDMN CC(C)(C)C1CCC(C#N)(NC(=O)c2[nH]ncc2F)CC1 ZINC000907434933 622127027 /nfs/dbraw/zinc/12/70/27/622127027.db2.gz BCDLDSFSLLOSOA-UHFFFAOYSA-N 0 1 292.358 2.777 20 30 CFEDMN C[C@@H](C#N)C(=O)Nc1ccc2oc(CN3CCCC3)nc2c1 ZINC000908411813 622228120 /nfs/dbraw/zinc/22/81/20/622228120.db2.gz RQOOJRQZRIHFRN-NSHDSACASA-N 0 1 298.346 2.522 20 30 CFEDMN Cc1nc([C@@H](C)OC(=O)c2c(C)cc(C#N)cc2C)n[nH]1 ZINC000909801113 622352205 /nfs/dbraw/zinc/35/22/05/622352205.db2.gz FNIAZPLTAMHMFW-SNVBAGLBSA-N 0 1 284.319 2.520 20 30 CFEDMN CCc1nc([C@H](C)OC(=O)c2c(C)cc(C#N)cc2C)n[nH]1 ZINC000909801609 622353765 /nfs/dbraw/zinc/35/37/65/622353765.db2.gz IXYYGCLJMWKWAI-NSHDSACASA-N 0 1 298.346 2.774 20 30 CFEDMN Cc1cc(C#N)cc(C)c1C(=O)OCc1nc(C(C)C)n[nH]1 ZINC000909802825 622354166 /nfs/dbraw/zinc/35/41/66/622354166.db2.gz SQEPVYSONCMQJA-UHFFFAOYSA-N 0 1 298.346 2.774 20 30 CFEDMN Cc1cc(C#N)cc(C)c1C(=O)OCc1n[nH]c(C(C)C)n1 ZINC000909802825 622354168 /nfs/dbraw/zinc/35/41/68/622354168.db2.gz SQEPVYSONCMQJA-UHFFFAOYSA-N 0 1 298.346 2.774 20 30 CFEDMN N#CCCCCOC(=O)c1cc2[nH]cnc2cc1F ZINC000820068393 622606314 /nfs/dbraw/zinc/60/63/14/622606314.db2.gz QFQCRDOSCFFGHM-UHFFFAOYSA-N 0 1 261.256 2.553 20 30 CFEDMN CCN1[C@H](C)CN(C(=O)/C=C\c2ccccc2C#N)C[C@@H]1C ZINC000912027428 622608655 /nfs/dbraw/zinc/60/86/55/622608655.db2.gz QKQJMRWPYDGRNL-MHSLGGLXSA-N 0 1 297.402 2.513 20 30 CFEDMN N#CC1(COC(=O)c2cc3[nH]cnc3cc2F)CCC1 ZINC000820639040 622723278 /nfs/dbraw/zinc/72/32/78/622723278.db2.gz VQTANKBYHVLUKM-UHFFFAOYSA-N 0 1 273.267 2.553 20 30 CFEDMN c1cc(N2CCCCC2)sc1CN=Nc1cnccn1 ZINC000912961977 622805878 /nfs/dbraw/zinc/80/58/78/622805878.db2.gz QOLYFBLWFWATOL-UHFFFAOYSA-N 0 1 287.392 2.974 20 30 CFEDMN C#CC[C@H](CO)NCc1ccc(-c2ccccc2)cc1OC ZINC000821207089 622868511 /nfs/dbraw/zinc/86/85/11/622868511.db2.gz KIVKLXGESICCQY-GOSISDBHSA-N 0 1 295.382 2.836 20 30 CFEDMN Cc1cccc2c1[C@H](C)C[C@@H]2CC(=O)NCC#CCN(C)C ZINC000913522078 622911171 /nfs/dbraw/zinc/91/11/71/622911171.db2.gz YRARWXBVODFASS-HZPDHXFCSA-N 0 1 298.430 2.657 20 30 CFEDMN C=CCc1cc(CN2C[C@H](C)OC[C@H]2C)c(O)c(OC)c1 ZINC000163954124 622932206 /nfs/dbraw/zinc/93/22/06/622932206.db2.gz FYURKUPDGKSUEE-OLZOCXBDSA-N 0 1 291.391 2.739 20 30 CFEDMN COc1ccc(C(=O)/C=C/c2c(C)noc2C)c(O)c1 ZINC000156616798 622951872 /nfs/dbraw/zinc/95/18/72/622951872.db2.gz IVMFDQDPXCFNSD-VOTSOKGWSA-N 0 1 273.288 2.902 20 30 CFEDMN C=CCc1cc(OC)cc(CN2CCO[C@@H](C)[C@@H]2C)c1O ZINC000164514979 622958518 /nfs/dbraw/zinc/95/85/18/622958518.db2.gz NDHHNSJORWCYMX-STQMWFEESA-N 0 1 291.391 2.739 20 30 CFEDMN C#C[C@@H](C)NCc1cc(F)cc(Br)c1 ZINC000166672254 623026131 /nfs/dbraw/zinc/02/61/31/623026131.db2.gz AIUBTBPLKJKJQL-MRVPVSSYSA-N 0 1 256.118 2.700 20 30 CFEDMN C=C(Cl)CSc1nc(-c2cccnc2)n[nH]1 ZINC000060530952 623136711 /nfs/dbraw/zinc/13/67/11/623136711.db2.gz QLPDNWAYSGZCAF-UHFFFAOYSA-N 0 1 252.730 2.711 20 30 CFEDMN C#C[C@@H](CC)NCc1cc2c(cc1OC)C[C@H](C)O2 ZINC000229895290 623231814 /nfs/dbraw/zinc/23/18/14/623231814.db2.gz CQYGIKWGJMUYIS-FZMZJTMJSA-N 0 1 259.349 2.520 20 30 CFEDMN CCCCCC[C@H](C)C(=O)C(C#N)C(=O)NC1CC1 ZINC000173974457 623378068 /nfs/dbraw/zinc/37/80/68/623378068.db2.gz AJASPAURGFGUST-AAEUAGOBSA-N 0 1 264.369 2.580 20 30 CFEDMN CCCCCC[C@H](C)C(=O)C(C#N)C(=O)NC1CC1 ZINC000173974434 623378202 /nfs/dbraw/zinc/37/82/02/623378202.db2.gz AJASPAURGFGUST-WCQYABFASA-N 0 1 264.369 2.580 20 30 CFEDMN C=CCSCCNCc1ccnc(Cl)c1F ZINC000823818637 623400091 /nfs/dbraw/zinc/40/00/91/623400091.db2.gz MBKATHLMPOLEGM-UHFFFAOYSA-N 0 1 260.765 2.883 20 30 CFEDMN CCC(CC)CC(=O)[C@H](C#N)C(=O)NC1CCCCC1 ZINC000151592657 623536054 /nfs/dbraw/zinc/53/60/54/623536054.db2.gz WBUKBRNSWCFNSJ-AWEZNQCLSA-N 0 1 278.396 2.970 20 30 CFEDMN COC[C@H](C)Oc1ccc(CN2CCC(C#N)CC2)cc1 ZINC000824645318 623538527 /nfs/dbraw/zinc/53/85/27/623538527.db2.gz FLZOGMMZSPQOBY-AWEZNQCLSA-N 0 1 288.391 2.836 20 30 CFEDMN C=C[C@@H]1OCCC[C@H]1NCc1cccnc1Cl ZINC000824952698 623593966 /nfs/dbraw/zinc/59/39/66/623593966.db2.gz DHJPSBIPYNHNIP-NEPJUHHUSA-N 0 1 252.745 2.558 20 30 CFEDMN C#CCN1CC[C@@]2(NC(=O)c3ccc(C)cc3C)CCC[C@@H]12 ZINC000992487789 623614808 /nfs/dbraw/zinc/61/48/08/623614808.db2.gz ISDIXJZLDPCJMG-MJGOQNOKSA-N 0 1 296.414 2.663 20 30 CFEDMN CC1(C)CCCC[C@@H]1CC(=O)C(C#N)C(=O)N1CCCC1 ZINC000152163289 623657927 /nfs/dbraw/zinc/65/79/27/623657927.db2.gz GOSGIDNKYGZIFO-ZIAGYGMSSA-N 0 1 290.407 2.924 20 30 CFEDMN C=C(C)COCCN[C@H](C)c1cccnc1Cl ZINC000090451083 623668403 /nfs/dbraw/zinc/66/84/03/623668403.db2.gz IUZKNSCQFQUFLF-LLVKDONJSA-N 0 1 254.761 2.978 20 30 CFEDMN CC(C)CC1CCN(CC(=O)N[C@@](C)(C#N)C2CC2)CC1 ZINC000760927725 623696024 /nfs/dbraw/zinc/69/60/24/623696024.db2.gz UCUANQALVQRBJN-KRWDZBQOSA-N 0 1 291.439 2.553 20 30 CFEDMN C=CC[N@@H+](C)Cc1ccc(Br)cc1[O-] ZINC000825563060 623716009 /nfs/dbraw/zinc/71/60/09/623716009.db2.gz RNRALONQNABZHD-UHFFFAOYSA-N 0 1 256.143 2.773 20 30 CFEDMN C=CC[N@H+](C)Cc1ccc(Br)cc1[O-] ZINC000825563060 623716012 /nfs/dbraw/zinc/71/60/12/623716012.db2.gz RNRALONQNABZHD-UHFFFAOYSA-N 0 1 256.143 2.773 20 30 CFEDMN C#C[C@H](N[C@H](C)[C@H]1C[C@H]1C(=O)OC)c1ccc(Cl)cc1 ZINC000825948948 623774839 /nfs/dbraw/zinc/77/48/39/623774839.db2.gz NFLKOVLTPDPHSR-QZKOUSHUSA-N 0 1 291.778 2.802 20 30 CFEDMN C=C[C@@H](CC)CC(=O)NC[C@H]1CCN1Cc1ccccc1 ZINC000826634998 623826513 /nfs/dbraw/zinc/82/65/13/623826513.db2.gz KGIHUNCONWQJTL-DOTOQJQBSA-N 0 1 286.419 2.979 20 30 CFEDMN C=C(C)C[N@@H+]1CCC[C@@H](NC(=O)c2cccc(F)c2)[C@@H]1C ZINC000992986834 623835208 /nfs/dbraw/zinc/83/52/08/623835208.db2.gz HFYFKBGGDQPMTR-XJKSGUPXSA-N 0 1 290.382 2.985 20 30 CFEDMN C=CCN1CCC[C@H](NC(=O)c2ccsc2)[C@H]1C ZINC000993008185 623837798 /nfs/dbraw/zinc/83/77/98/623837798.db2.gz AFOYVZOOTGRLLA-YPMHNXCESA-N 0 1 264.394 2.517 20 30 CFEDMN CC(C)C(=O)N[C@H]1CCCN(Cc2ccc(C#N)cc2)[C@H]1C ZINC000993063465 623881903 /nfs/dbraw/zinc/88/19/03/623881903.db2.gz DQMRCTIXCYDNPD-YOEHRIQHSA-N 0 1 299.418 2.683 20 30 CFEDMN C=CC[C@@H]1CCCN(Cc2cnc(Cl)n2C)C1 ZINC000826946139 623913170 /nfs/dbraw/zinc/91/31/70/623913170.db2.gz FCWWULLJNHAISO-LLVKDONJSA-N 0 1 253.777 2.862 20 30 CFEDMN C=C(Cl)CN[C@H]1CN(C(=O)C=C(C)C)CC1(C)C ZINC000995399504 625687882 /nfs/dbraw/zinc/68/78/82/625687882.db2.gz QEWCLHPJKLEECW-LBPRGKRZSA-N 0 1 270.804 2.532 20 30 CFEDMN FC(F)(F)c1cccnc1N=NC1CN2CCC1CC2 ZINC000915050483 623976436 /nfs/dbraw/zinc/97/64/36/623976436.db2.gz RXWWDPAPGMBWEY-UHFFFAOYSA-N 0 1 284.285 2.594 20 30 CFEDMN CC#CCN1CCC[C@H](NC(=O)C2C(C)(C)C2(C)C)[C@@H]1C ZINC000993178967 623981977 /nfs/dbraw/zinc/98/19/77/623981977.db2.gz GMUMSEDPTFDPDY-KBPBESRZSA-N 0 1 290.451 2.661 20 30 CFEDMN COc1ccc(O)c(CNCC2(C#N)CCCCC2)c1 ZINC000827383919 623996527 /nfs/dbraw/zinc/99/65/27/623996527.db2.gz KZYNYESRWABFQP-UHFFFAOYSA-N 0 1 274.364 2.964 20 30 CFEDMN C#CCCCCCCOC(=O)[C@@H](C(C)C)N(C)C ZINC000835714662 624025281 /nfs/dbraw/zinc/02/52/81/624025281.db2.gz NQRHIMYKSTWFQD-CQSZACIVSA-N 0 1 253.386 2.700 20 30 CFEDMN C=CCN1CCC[C@H](NC(=O)c2ccoc2Cl)[C@H]1C ZINC000993215038 624041832 /nfs/dbraw/zinc/04/18/32/624041832.db2.gz LIQSJXFJDXVXGJ-PWSUYJOCSA-N 0 1 282.771 2.702 20 30 CFEDMN CCCCc1nc(C=NOC[C@H]2CCOC2)c(Cl)[nH]1 ZINC000788040780 624046995 /nfs/dbraw/zinc/04/69/95/624046995.db2.gz ZKJXEIPZFISGGP-JTQLQIEISA-N 0 1 285.775 2.793 20 30 CFEDMN C=CCN1CCC[C@@H](NC(=O)c2c(C)coc2C)[C@H]1C ZINC000993281113 624060832 /nfs/dbraw/zinc/06/08/32/624060832.db2.gz ORDKDCWHEWTRFJ-TZMCWYRMSA-N 0 1 276.380 2.665 20 30 CFEDMN C=CCN1CCC[C@H](NC(=O)c2cccc(F)c2C)[C@H]1C ZINC000993365321 624122794 /nfs/dbraw/zinc/12/27/94/624122794.db2.gz SSLWFMLXSDEROE-CJNGLKHVSA-N 0 1 290.382 2.903 20 30 CFEDMN C=CCN1CCC[C@@H](NC(=O)c2cccc(F)c2C)[C@@H]1C ZINC000993365328 624123026 /nfs/dbraw/zinc/12/30/26/624123026.db2.gz SSLWFMLXSDEROE-XJKSGUPXSA-N 0 1 290.382 2.903 20 30 CFEDMN C=C(Cl)CN[C@H]1CN(C(=O)[C@H]2CC=CCC2)CC1(C)C ZINC000995452233 625702784 /nfs/dbraw/zinc/70/27/84/625702784.db2.gz ZSOULSZUOPMQGA-KBPBESRZSA-N 0 1 296.842 2.922 20 30 CFEDMN C=CCN1CCC[C@H](NC(=O)c2cc3cnccc3o2)[C@H]1C ZINC000993537297 624150890 /nfs/dbraw/zinc/15/08/90/624150890.db2.gz NCPGFPWNVYMMJH-OCCSQVGLSA-N 0 1 299.374 2.597 20 30 CFEDMN C#CCN1CCC[C@H](NC(=O)c2ccccc2CCC)[C@@H]1C ZINC000993561374 624152063 /nfs/dbraw/zinc/15/20/63/624152063.db2.gz KGJBZLIEVRWSAH-YJBOKZPZSA-N 0 1 298.430 2.855 20 30 CFEDMN CC#CCN1CCC[C@H](NC(=O)Cc2ccc(C)cc2)[C@H]1C ZINC000993551739 624152095 /nfs/dbraw/zinc/15/20/95/624152095.db2.gz CVALROAJTHJEIT-AEFFLSMTSA-N 0 1 298.430 2.530 20 30 CFEDMN C=C(C)CN1CCC[C@H](NC(=O)c2cocc2C)[C@H]1C ZINC000993704308 624163220 /nfs/dbraw/zinc/16/32/20/624163220.db2.gz SZUKHPLHUZUSBK-HIFRSBDPSA-N 0 1 276.380 2.747 20 30 CFEDMN C=C1CCC(C(=O)N[C@@H]2CCCN(CC#CC)[C@H]2C)CC1 ZINC000993774608 624167628 /nfs/dbraw/zinc/16/76/28/624167628.db2.gz NAEAQOJASXDOQB-DOTOQJQBSA-N 0 1 288.435 2.725 20 30 CFEDMN C#CCCN1CCC[C@H](NC(=O)c2occc2Cl)[C@@H]1C ZINC000993782544 624167674 /nfs/dbraw/zinc/16/76/74/624167674.db2.gz ZVACPZWSYHRBPA-AAEUAGOBSA-N 0 1 294.782 2.539 20 30 CFEDMN CC#CCN1CCC[C@H](NC(=O)c2c(C)cccc2C)[C@@H]1C ZINC000993862501 624170988 /nfs/dbraw/zinc/17/09/88/624170988.db2.gz QLVGACXCUQDXBB-IRXDYDNUSA-N 0 1 298.430 2.909 20 30 CFEDMN C#CCN1CCC[C@@H](NC(=O)c2ccc(C=C)cc2)[C@H]1C ZINC000993858258 624171154 /nfs/dbraw/zinc/17/11/54/624171154.db2.gz HQJIPHNKLBLQKP-RHSMWYFYSA-N 0 1 282.387 2.546 20 30 CFEDMN Clc1cnc(NN=Cc2csnn2)c(Cl)c1 ZINC000915947071 624192261 /nfs/dbraw/zinc/19/22/61/624192261.db2.gz BLDCMFGZOMXAPI-UHFFFAOYSA-N 0 1 274.136 2.686 20 30 CFEDMN CCOc1cccc(C=NNc2cc(C)nc(C)n2)c1O ZINC000915970406 624197374 /nfs/dbraw/zinc/19/73/74/624197374.db2.gz BKPOKGOFIVGWHS-UHFFFAOYSA-N 0 1 286.335 2.644 20 30 CFEDMN Clc1ccccc1C=NNCCN1CCCCC1 ZINC000915973273 624198695 /nfs/dbraw/zinc/19/86/95/624198695.db2.gz DWEHLEOSPIZWJD-UHFFFAOYSA-N 0 1 265.788 2.749 20 30 CFEDMN CCCNN=C(C)c1ccc([O-])c(C[NH+](CC)CC)c1 ZINC000915964575 624203796 /nfs/dbraw/zinc/20/37/96/624203796.db2.gz DNKCLUWDXMQWBU-UHFFFAOYSA-N 0 1 277.412 2.958 20 30 CFEDMN C#CCN1CCC[C@@H](NC(=O)c2cc(C)ccc2C)[C@H]1C ZINC000994298387 624275160 /nfs/dbraw/zinc/27/51/60/624275160.db2.gz RAQWCLPSVMBBLO-NVXWUHKLSA-N 0 1 284.403 2.519 20 30 CFEDMN C=CCN(CC(=O)N1CCCC[C@H]1CC)C(C)C ZINC000917070365 624306882 /nfs/dbraw/zinc/30/68/82/624306882.db2.gz AQDBNNHWMSZAKU-CQSZACIVSA-N 0 1 252.402 2.674 20 30 CFEDMN C=C(Cl)CN1C[C@H]2CN(c3ccccc3)C[C@@H]2C1 ZINC000917081803 624307564 /nfs/dbraw/zinc/30/75/64/624307564.db2.gz HTMWSGOHPBAXKC-KBPBESRZSA-N 0 1 262.784 2.807 20 30 CFEDMN C=CCN(CC(=O)N[C@@H]1CCC[C@H](C)[C@H]1C)C(C)C ZINC000917071073 624307583 /nfs/dbraw/zinc/30/75/83/624307583.db2.gz NMJCSFNPLHXPIX-RRFJBIMHSA-N 0 1 266.429 2.824 20 30 CFEDMN C=CCN(CC(=O)N[C@@H]1CCC[C@@H](C)[C@@H]1C)C(C)C ZINC000917071071 624308169 /nfs/dbraw/zinc/30/81/69/624308169.db2.gz NMJCSFNPLHXPIX-QLFBSQMISA-N 0 1 266.429 2.824 20 30 CFEDMN C=CCN(CC(=O)N(C)[C@@H]1CCCC[C@H]1C)C(C)C ZINC000917167990 624320666 /nfs/dbraw/zinc/32/06/66/624320666.db2.gz LARCGHWIJAERDR-HUUCEWRRSA-N 0 1 266.429 2.920 20 30 CFEDMN C=CCN1C(=O)N=NC1SC1CC2(CCC2)C1 ZINC000917210009 624322441 /nfs/dbraw/zinc/32/24/41/624322441.db2.gz PLTXAQMUDSHHNS-UHFFFAOYSA-N 0 1 251.355 2.595 20 30 CFEDMN C=C(C)[C@@H](NCC[S@@](C)=O)c1ccc(F)c(F)c1 ZINC000828947090 624337940 /nfs/dbraw/zinc/33/79/40/624337940.db2.gz MNDDIBNWSRKGOT-FZKQIMNGSA-N 0 1 273.348 2.550 20 30 CFEDMN CCCOc1cccc(C=NNCCN2CCCCC2)c1 ZINC000917545652 624352567 /nfs/dbraw/zinc/35/25/67/624352567.db2.gz WARQMFWGTOYDEW-UHFFFAOYSA-N 0 1 289.423 2.885 20 30 CFEDMN N#CCCCCCC(=O)N1CCc2nc[nH]c2C12CCC2 ZINC000829066767 624365361 /nfs/dbraw/zinc/36/53/61/624365361.db2.gz ZJWJKXVZAAPAII-UHFFFAOYSA-N 0 1 286.379 2.648 20 30 CFEDMN C=CCN1C(=O)N=NC1SC[C@]1(C)CC1(Cl)Cl ZINC000829298748 624413231 /nfs/dbraw/zinc/41/32/31/624413231.db2.gz XFVILUPQBMXYAT-VIFPVBQESA-N 0 1 294.207 2.846 20 30 CFEDMN CN(Cc1ccccc1C#N)C[C@]1(O)CCc2ccccc21 ZINC000829310916 624414726 /nfs/dbraw/zinc/41/47/26/624414726.db2.gz SCSDCCJOMMJFLR-LJQANCHMSA-N 0 1 292.382 2.824 20 30 CFEDMN CC(C)C#CC(=O)NC[C@@H](c1ccc(Cl)cc1)N(C)C ZINC000829492661 624444552 /nfs/dbraw/zinc/44/45/52/624444552.db2.gz FSGRVSWIKRWBSO-HNNXBMFYSA-N 0 1 292.810 2.718 20 30 CFEDMN O=[N+]([O-])c1cccc(N=NCc2cn3ccccc3n2)c1 ZINC000918707380 624468847 /nfs/dbraw/zinc/46/88/47/624468847.db2.gz BCDLCSDAYAFMFT-UHFFFAOYSA-N 0 1 281.275 2.689 20 30 CFEDMN C#CC[C@H]1CCCN(CC(=O)Nc2ccccc2CC)C1 ZINC000829769343 624529566 /nfs/dbraw/zinc/52/95/66/624529566.db2.gz SRJPNORXBBHUNF-HNNXBMFYSA-N 0 1 284.403 2.923 20 30 CFEDMN C#CC[C@@H]1CCCN(Cc2cc(F)ccc2[N+](=O)[O-])C1 ZINC000829778849 624532986 /nfs/dbraw/zinc/53/29/86/624532986.db2.gz IQIHZSPUHHHQPN-GFCCVEGCSA-N 0 1 276.311 2.969 20 30 CFEDMN C#CC[C@H]1CCCN(CC(=O)Nc2c(C)cccc2C)C1 ZINC000829789028 624538392 /nfs/dbraw/zinc/53/83/92/624538392.db2.gz MEUAMOLRILWZFG-INIZCTEOSA-N 0 1 284.403 2.977 20 30 CFEDMN C#CC[C@@H]1CCCN(CC(=O)c2cc(C)[nH]c2C)C1 ZINC000829793455 624540229 /nfs/dbraw/zinc/54/02/29/624540229.db2.gz FOVVNQVEQZYQPF-CQSZACIVSA-N 0 1 258.365 2.550 20 30 CFEDMN C#CC[C@H]1CCCN(Cc2nc3ccccc3n2C)C1 ZINC000829803785 624545518 /nfs/dbraw/zinc/54/55/18/624545518.db2.gz BKHFMBNPPCEHNO-AWEZNQCLSA-N 0 1 267.376 2.809 20 30 CFEDMN COC(=O)[C@@H](C)/N=C/c1cc(Cl)cc(Cl)c1O ZINC000155071384 624607872 /nfs/dbraw/zinc/60/78/72/624607872.db2.gz BNFZTKJOSZTKDG-DXOCJUPFSA-N 0 1 276.119 2.679 20 30 CFEDMN CCOC(=O)[C@H](C)/N=C/c1ccc(N(CC)CC)cc1O ZINC000920172874 624695237 /nfs/dbraw/zinc/69/52/37/624695237.db2.gz LYASGCZAPWEECN-OOIIIRTPSA-N 0 1 292.379 2.609 20 30 CFEDMN C#CC1CCN(CC(=O)N[C@@H](C)CCCC(C)C)CC1 ZINC000830302047 624703262 /nfs/dbraw/zinc/70/32/62/624703262.db2.gz YZPNZDZBRBFCKG-HNNXBMFYSA-N 0 1 278.440 2.663 20 30 CFEDMN C#CC1CCN([C@H](C)C(=O)N2CCCc3ccccc32)CC1 ZINC000830305143 624704502 /nfs/dbraw/zinc/70/45/02/624704502.db2.gz HJFODBCOBAJBKH-OAHLLOKOSA-N 0 1 296.414 2.700 20 30 CFEDMN C#CC1CCN(Cc2cc3c(cc2Cl)OCCO3)CC1 ZINC000830350338 624718130 /nfs/dbraw/zinc/71/81/30/624718130.db2.gz ABIZRNGQNIQHSI-UHFFFAOYSA-N 0 1 291.778 2.956 20 30 CFEDMN C[C@H]1C[N@@H+](Cc2ccc(OCC#N)cc2)CC2(CCC2)O1 ZINC000830715758 624821956 /nfs/dbraw/zinc/82/19/56/624821956.db2.gz FMRCLASUCWDWBE-AWEZNQCLSA-N 0 1 286.375 2.732 20 30 CFEDMN C[C@H]1CN(Cc2ccc(OCC#N)cc2)CC2(CCC2)O1 ZINC000830715758 624821960 /nfs/dbraw/zinc/82/19/60/624821960.db2.gz FMRCLASUCWDWBE-AWEZNQCLSA-N 0 1 286.375 2.732 20 30 CFEDMN CC(C)Oc1cccc(C=NNCCN2CCCCC2)c1 ZINC000921258657 624831067 /nfs/dbraw/zinc/83/10/67/624831067.db2.gz YVOJPSFJMXAOQN-UHFFFAOYSA-N 0 1 289.423 2.883 20 30 CFEDMN CC(C)Oc1cccc(C=NNc2ncnc3[nH]cnc32)c1 ZINC000921258135 624831258 /nfs/dbraw/zinc/83/12/58/624831258.db2.gz MABIJPHYVIIONN-UHFFFAOYSA-N 0 1 296.334 2.586 20 30 CFEDMN C#C[C@H]1CCCC[C@H]1OC(=O)c1ccc(-c2nnc[nH]2)cc1 ZINC000851536319 634416434 /nfs/dbraw/zinc/41/64/34/634416434.db2.gz GPYPOOAQSRHKCN-SWLSCSKDSA-N 0 1 295.342 2.821 20 30 CFEDMN Cc1ccc(CN(C)Cc2ccc(OCC#N)cc2)nc1 ZINC000831054240 624956289 /nfs/dbraw/zinc/95/62/89/624956289.db2.gz UUHPMYPKLLJMEJ-UHFFFAOYSA-N 0 1 281.359 2.924 20 30 CFEDMN CC[C@@H](CC#N)NC[C@@H]1CCCN1C(=O)OC(C)(C)C ZINC000233869759 624959141 /nfs/dbraw/zinc/95/91/41/624959141.db2.gz ZPMSDSYHPZMUES-STQMWFEESA-N 0 1 281.400 2.668 20 30 CFEDMN C#CCN(Cc1ccc(F)cc1)C[C@@H](O)c1ccccc1 ZINC000068334320 624988837 /nfs/dbraw/zinc/98/88/37/624988837.db2.gz KFSVSAHNRNVBGZ-GOSISDBHSA-N 0 1 283.346 2.995 20 30 CFEDMN COC(=O)C1(C#N)CCN(CC/C=C/c2ccccc2)CC1 ZINC000831698981 625100037 /nfs/dbraw/zinc/10/00/37/625100037.db2.gz FKNFYGXHPDPGKW-WEVVVXLNSA-N 0 1 298.386 2.869 20 30 CFEDMN O=C(/C=C/c1cc(O)ccc1[N+](=O)[O-])c1ccncc1 ZINC000182247832 625276802 /nfs/dbraw/zinc/27/68/02/625276802.db2.gz INSLZXHYGOKZLS-DAFODLJHSA-N 0 1 270.244 2.592 20 30 CFEDMN Cc1cc(Cl)cc2c1OCC2N=Nc1cncnc1 ZINC000814927112 625743700 /nfs/dbraw/zinc/74/37/00/625743700.db2.gz XLMFHBNQAQXARZ-UHFFFAOYSA-N 0 1 274.711 2.647 20 30 CFEDMN C=C(Cl)CN[C@H]1CN(C(=O)c2coc(C)c2)CC1(C)C ZINC000995744041 625852274 /nfs/dbraw/zinc/85/22/74/625852274.db2.gz ZMFFOFSPPFVPDQ-ZDUSSCGKSA-N 0 1 296.798 2.781 20 30 CFEDMN C=C(Cl)CN[C@@H]1CN(C(=O)[C@H]2C[C@H]3C[C@H]3C2)CC1(C)C ZINC000996195224 625883467 /nfs/dbraw/zinc/88/34/67/625883467.db2.gz PJNSZLNCSYQAQG-ZOBORPQBSA-N 0 1 296.842 2.612 20 30 CFEDMN C#Cc1cccc(CN[C@H](C)c2cnn(CC)c2)c1 ZINC000834903369 625916801 /nfs/dbraw/zinc/91/68/01/625916801.db2.gz OSLGNCCDBHCOPU-CYBMUJFWSA-N 0 1 253.349 2.735 20 30 CFEDMN C#Cc1cccc(CN[C@@H](C)c2cnc(C)nc2C)c1 ZINC000834904093 625916971 /nfs/dbraw/zinc/91/69/71/625916971.db2.gz VHWBUZQWDURTBF-LBPRGKRZSA-N 0 1 265.360 2.926 20 30 CFEDMN Cc1cc([N-][NH+]=C2CCCc3cc(N)ccc32)ncn1 ZINC000834958008 625932475 /nfs/dbraw/zinc/93/24/75/625932475.db2.gz ADLJBMLCZUZYNF-UHFFFAOYSA-N 0 1 267.336 2.520 20 30 CFEDMN Cc1cccc(CNN=C2CCCc3nc(N)ccc32)c1 ZINC000834962517 625934274 /nfs/dbraw/zinc/93/42/74/625934274.db2.gz SVSYDSWOWFIYGS-UHFFFAOYSA-N 0 1 280.375 2.802 20 30 CFEDMN C[C@@H]1CC(N=Nc2cc(C(F)(F)F)ccn2)CN1C ZINC000834983535 625945624 /nfs/dbraw/zinc/94/56/24/625945624.db2.gz BKISGMPSJOBYKY-MRVPVSSYSA-N 0 1 272.274 2.592 20 30 CFEDMN c1nc(C2CCC2)sc1CN=Nc1ccncn1 ZINC000835001412 625951144 /nfs/dbraw/zinc/95/11/44/625951144.db2.gz IEBHICBHZANAIE-UHFFFAOYSA-N 0 1 259.338 2.647 20 30 CFEDMN c1ccc2c(c1)OC1(CCC1)CC2=NNc1ccncn1 ZINC000835003554 625951667 /nfs/dbraw/zinc/95/16/67/625951667.db2.gz YFWQTFWNGPLKII-UHFFFAOYSA-N 0 1 280.331 2.998 20 30 CFEDMN N#Cc1cc(CNCc2ccc(N3CCCC3)nc2)cs1 ZINC000921519188 625968546 /nfs/dbraw/zinc/96/85/46/625968546.db2.gz BIVAMOPZCATAHD-UHFFFAOYSA-N 0 1 298.415 2.905 20 30 CFEDMN C=C(Cl)CN[C@@H]1CCCN(C(=O)c2ccccc2F)C1 ZINC000998411996 626048800 /nfs/dbraw/zinc/04/88/00/626048800.db2.gz JEGKCYSRZFEWRW-GFCCVEGCSA-N 0 1 296.773 2.772 20 30 CFEDMN C=C(Cl)CN[C@@H]1CCCN(C(=O)c2ccccc2)C1 ZINC000998425335 626050027 /nfs/dbraw/zinc/05/00/27/626050027.db2.gz YRAYNQNJZVHEEF-CQSZACIVSA-N 0 1 278.783 2.633 20 30 CFEDMN C=C(Cl)CN[C@H]1CCCN(C(=O)c2ccoc2CC)C1 ZINC000999062465 626065850 /nfs/dbraw/zinc/06/58/50/626065850.db2.gz FNTSQELDQBVDDR-LBPRGKRZSA-N 0 1 296.798 2.789 20 30 CFEDMN C=C(Cl)CN[C@@H]1CCCN(C(=O)C2CC(C)(C)C2)C1 ZINC000999063607 626065936 /nfs/dbraw/zinc/06/59/36/626065936.db2.gz DVMQDTXINXIBRZ-CYBMUJFWSA-N 0 1 284.831 2.756 20 30 CFEDMN C=C(Cl)CN[C@@H]1CCCN(C(=O)[C@@H]2CCCC23CC3)C1 ZINC000999506477 626075191 /nfs/dbraw/zinc/07/51/91/626075191.db2.gz PIUMZSLFSNGZNI-KGLIPLIRSA-N 0 1 296.842 2.900 20 30 CFEDMN C=C(Cl)CN[C@H]1CCCN(C(=O)C2(C3CC3)CCC2)C1 ZINC000999816470 626080934 /nfs/dbraw/zinc/08/09/34/626080934.db2.gz ACZTUROLVIVBLJ-AWEZNQCLSA-N 0 1 296.842 2.900 20 30 CFEDMN C=C(Cl)CN[C@H]1CCCN(C(=O)[C@]2(C)C=CCC2)C1 ZINC000999914435 626083832 /nfs/dbraw/zinc/08/38/32/626083832.db2.gz OCXSCVYNFOWRCU-DZGCQCFKSA-N 0 1 282.815 2.676 20 30 CFEDMN C=C[C@](C)(CC)C(=O)N1CCC[C@@H](NCC(=C)Cl)C1 ZINC001000087643 626086702 /nfs/dbraw/zinc/08/67/02/626086702.db2.gz IMOGLZGJEKGNRV-UKRRQHHQSA-N 0 1 284.831 2.922 20 30 CFEDMN C=C(Cl)CN[C@H]1CCCN(C(=O)c2occc2CC)C1 ZINC001000099966 626087340 /nfs/dbraw/zinc/08/73/40/626087340.db2.gz LRZGNWUQYZUKMR-ZDUSSCGKSA-N 0 1 296.798 2.789 20 30 CFEDMN CCN1CCN(c2nc3ccccc3cc2C#N)C[C@H]1C ZINC000250266196 626113043 /nfs/dbraw/zinc/11/30/43/626113043.db2.gz KLXPZSXHXMCPQX-CYBMUJFWSA-N 0 1 280.375 2.637 20 30 CFEDMN CC[C@H](COC)NCc1cc(C#N)ccc1Br ZINC000921765892 626114152 /nfs/dbraw/zinc/11/41/52/626114152.db2.gz PYPPBFDGXDVHBE-GFCCVEGCSA-N 0 1 297.196 2.835 20 30 CFEDMN C=C[C@@H](C)NCc1cc(C#N)ccc1Br ZINC000921834716 626155578 /nfs/dbraw/zinc/15/55/78/626155578.db2.gz IQQMVXMEMYGITP-SECBINFHSA-N 0 1 265.154 2.985 20 30 CFEDMN CC#CCN1CC=C(CNC(=O)c2ccc(C)c(C)c2)CC1 ZINC001001422717 626157501 /nfs/dbraw/zinc/15/75/01/626157501.db2.gz HLLQPNKEMPRDMM-UHFFFAOYSA-N 0 1 296.414 2.689 20 30 CFEDMN C#CCN1CC=C(CNC(=O)[C@@H]2CCCCC2(C)C)CC1 ZINC001001481264 626159199 /nfs/dbraw/zinc/15/91/99/626159199.db2.gz NQDRWHVRQBHBIG-INIZCTEOSA-N 0 1 288.435 2.584 20 30 CFEDMN C=C(C)CN1CC[C@H](NC(=O)[C@]2(C)CC=C(C)CC2)C1 ZINC001016308189 626178454 /nfs/dbraw/zinc/17/84/54/626178454.db2.gz CDICMDXQVIMMAZ-DOTOQJQBSA-N 0 1 276.424 2.890 20 30 CFEDMN CCCCCCNC(=O)C(C#N)C(=O)[C@@H](C)CCC ZINC000076818384 626182854 /nfs/dbraw/zinc/18/28/54/626182854.db2.gz MFTYISMVYYTHLG-STQMWFEESA-N 0 1 266.385 2.828 20 30 CFEDMN C=CCN(Cc1ccccc1)C[C@@H]1COC(C)(C)O1 ZINC000851713854 634484442 /nfs/dbraw/zinc/48/44/42/634484442.db2.gz BWPVFQXCGXETBV-OAHLLOKOSA-N 0 1 261.365 2.826 20 30 CFEDMN CC#CCN1CCC(NC(=O)c2cscc2Cl)CC1 ZINC001003092273 626219912 /nfs/dbraw/zinc/21/99/12/626219912.db2.gz PQHJTHFPXPTQKL-UHFFFAOYSA-N 0 1 296.823 2.619 20 30 CFEDMN CC#CCN1CCC(NC(=O)C2(C)CCCCC2)CC1 ZINC001003547219 626238498 /nfs/dbraw/zinc/23/84/98/626238498.db2.gz IYQLZPDNNSCAGU-UHFFFAOYSA-N 0 1 276.424 2.561 20 30 CFEDMN CC#CCN1CCC(NC(=O)[C@H](C)c2cccc(C)c2)CC1 ZINC001003712764 626249644 /nfs/dbraw/zinc/24/96/44/626249644.db2.gz XORODYJPOJWNFH-MRXNPFEDSA-N 0 1 298.430 2.702 20 30 CFEDMN C[C@@H](O)[C@@H](NCc1csc(C#N)c1)c1ccccc1 ZINC000922268432 626256788 /nfs/dbraw/zinc/25/67/88/626256788.db2.gz SCJZLCKOZGARPE-IAQYHMDHSA-N 0 1 272.373 2.831 20 30 CFEDMN CC#CCN1CCC(NC(=O)[C@@H]2CCCC[C@H]2CC)CC1 ZINC001003878566 626263414 /nfs/dbraw/zinc/26/34/14/626263414.db2.gz LUAADQUXYYWPKQ-NVXWUHKLSA-N 0 1 290.451 2.807 20 30 CFEDMN CC#CCN1CCC(NC(=O)C[C@H]2CCCC[C@H]2C)CC1 ZINC001004244634 626316425 /nfs/dbraw/zinc/31/64/25/626316425.db2.gz HPFMJQZGYLDUEA-HZPDHXFCSA-N 0 1 290.451 2.807 20 30 CFEDMN CC(C)n1ncnc1CNC(C)(C)Cc1ccc(C#N)cc1 ZINC000922603221 626323311 /nfs/dbraw/zinc/32/33/11/626323311.db2.gz IFLOSTDVYUQATB-UHFFFAOYSA-N 0 1 297.406 2.842 20 30 CFEDMN C#CCN1CCC(N(C)C(=O)C2CCC3(CC3)CC2)CC1 ZINC001005721576 626420445 /nfs/dbraw/zinc/42/04/45/626420445.db2.gz INOKCHVSNGPLRU-UHFFFAOYSA-N 0 1 288.435 2.513 20 30 CFEDMN CC#CCN1CCC(N(C)C(=O)C(C)(C)C2CCC2)CC1 ZINC001005775890 626421005 /nfs/dbraw/zinc/42/10/05/626421005.db2.gz BMJNREMQXPLIRK-UHFFFAOYSA-N 0 1 290.451 2.759 20 30 CFEDMN N#Cc1cccc(CN[C@H]2c3ccccc3CC[C@H]2O)c1 ZINC000922988422 626439855 /nfs/dbraw/zinc/43/98/55/626439855.db2.gz PZDKCULLBQDKDD-MSOLQXFVSA-N 0 1 278.355 2.696 20 30 CFEDMN C#CCC1(NCc2cccnc2Br)CCC1 ZINC000922999180 626441121 /nfs/dbraw/zinc/44/11/21/626441121.db2.gz QPMJSAGMOXLRFM-UHFFFAOYSA-N 0 1 279.181 2.880 20 30 CFEDMN CC#CCN1CCC(N(C)C(=O)[C@@H]2CCC[C@@H](C)C2)CC1 ZINC001005904022 626448231 /nfs/dbraw/zinc/44/82/31/626448231.db2.gz AQKQHKSRAFWSGB-HZPDHXFCSA-N 0 1 290.451 2.759 20 30 CFEDMN N#CC1CCN(CCc2ccc3c(c2)OC(F)(F)O3)CC1 ZINC000851739611 634504325 /nfs/dbraw/zinc/50/43/25/634504325.db2.gz CSUYYLSWTKTWLW-UHFFFAOYSA-N 0 1 294.301 2.786 20 30 CFEDMN Cc1cc(C(=O)OCc2nc(C(C)C)n[nH]2)cc(C)c1C#N ZINC000923434011 626472732 /nfs/dbraw/zinc/47/27/32/626472732.db2.gz HVNVRRNYRRHACY-UHFFFAOYSA-N 0 1 298.346 2.774 20 30 CFEDMN Cc1cc(C(=O)OCc2n[nH]c(C(C)C)n2)cc(C)c1C#N ZINC000923434011 626472733 /nfs/dbraw/zinc/47/27/33/626472733.db2.gz HVNVRRNYRRHACY-UHFFFAOYSA-N 0 1 298.346 2.774 20 30 CFEDMN CC#CCN1CCC(N(C)C(=O)[C@@H]2C[C@]2(C)C(C)C)CC1 ZINC001006229992 626480972 /nfs/dbraw/zinc/48/09/72/626480972.db2.gz XBKWWWLARVXBHP-FUHWJXTLSA-N 0 1 290.451 2.615 20 30 CFEDMN CCCCCCNC(=O)C(C#N)C(=O)[C@@H](C)C1CCC1 ZINC000838788791 626506945 /nfs/dbraw/zinc/50/69/45/626506945.db2.gz VYRJZNMQLUWLAU-GXTWGEPZSA-N 0 1 278.396 2.828 20 30 CFEDMN C#C[C@@H](NCc1ccc(C2CC2)cc1)[C@@H]1CCCO1 ZINC000839016668 626520715 /nfs/dbraw/zinc/52/07/15/626520715.db2.gz BRJUHQUKBZPIOF-SJORKVTESA-N 0 1 255.361 2.834 20 30 CFEDMN CC#CCN1CCC([C@@H](O)c2cc(F)ccc2F)CC1 ZINC000839154994 626526591 /nfs/dbraw/zinc/52/65/91/626526591.db2.gz KGDQHSCPVLEAKP-MRXNPFEDSA-N 0 1 279.330 2.734 20 30 CFEDMN N#Cc1cccc(C=NNc2ccccc2[N+](=O)[O-])c1 ZINC000839384001 626534898 /nfs/dbraw/zinc/53/48/98/626534898.db2.gz SGSKWHJFGLKNRX-UHFFFAOYSA-N 0 1 266.260 2.912 20 30 CFEDMN C#CCCN1CCN(Cc2cnc3ccc(C)cc3c2)CC1 ZINC000839526086 626537967 /nfs/dbraw/zinc/53/79/67/626537967.db2.gz ASOBMBDHTBBJQS-UHFFFAOYSA-N 0 1 293.414 2.684 20 30 CFEDMN C#CC[C@H](NC(=O)NCc1cc(CC)[nH]n1)c1ccccc1 ZINC000757035172 626543849 /nfs/dbraw/zinc/54/38/49/626543849.db2.gz MTJGOCKWMRHVDQ-INIZCTEOSA-N 0 1 296.374 2.536 20 30 CFEDMN C#C[C@@H](NCc1cnc2ccc(C)cc2c1)[C@@H]1CCCO1 ZINC000839564407 626546763 /nfs/dbraw/zinc/54/67/63/626546763.db2.gz RAEVZXGKWXVGQD-AEFFLSMTSA-N 0 1 280.371 2.814 20 30 CFEDMN C=C(Br)CN[C@@H]1Cc2ccccc2[C@@H]1OC ZINC000839627686 626548755 /nfs/dbraw/zinc/54/87/55/626548755.db2.gz FMTZXDGMGBDCQV-OLZOCXBDSA-N 0 1 282.181 2.797 20 30 CFEDMN Cc1cc(N=NC(C)c2cc(F)cc(F)c2O)nc(C)n1 ZINC000757461873 626552664 /nfs/dbraw/zinc/55/26/64/626552664.db2.gz SEGOQPVUYFABRE-UHFFFAOYSA-N 0 1 292.289 2.913 20 30 CFEDMN COC(=O)c1occc1/C=C\C(=O)c1cc(F)ccc1O ZINC000757467748 626552921 /nfs/dbraw/zinc/55/29/21/626552921.db2.gz JMJYSLCKNUIQBR-RQOWECAXSA-N 0 1 290.246 2.807 20 30 CFEDMN COc1c(O)cccc1/C=C/C(=O)c1ccc(O)cc1O ZINC000757473338 626553224 /nfs/dbraw/zinc/55/32/24/626553224.db2.gz WBEVGALNTLKWRK-VMPITWQZSA-N 0 1 286.283 2.708 20 30 CFEDMN Fc1cc(F)c(NN=Cc2cn3cccnc3n2)cc1F ZINC000757584334 626555876 /nfs/dbraw/zinc/55/58/76/626555876.db2.gz OBTPNBQZPFAHTI-UHFFFAOYSA-N 0 1 291.236 2.593 20 30 CFEDMN Cc1cc(NN=Cc2ccc([N+](=O)[O-])cc2C)nc(C)n1 ZINC000758112013 626576886 /nfs/dbraw/zinc/57/68/86/626576886.db2.gz COQKHCZRXQTXGB-UHFFFAOYSA-N 0 1 285.307 2.756 20 30 CFEDMN Cc1cc([N+](=O)[O-])ccc1CN=Nc1ccc(F)cn1 ZINC000758110134 626577012 /nfs/dbraw/zinc/57/70/12/626577012.db2.gz JKPZRAAXQZYIBV-UHFFFAOYSA-N 0 1 274.255 2.883 20 30 CFEDMN CCn1ccnc1CN=Nc1cncc(Br)c1 ZINC000758130881 626578150 /nfs/dbraw/zinc/57/81/50/626578150.db2.gz XVRXZZILYDZVSA-UHFFFAOYSA-N 0 1 294.156 2.507 20 30 CFEDMN C[C@@H]1CC(=NOCc2ccc(F)cc2)CN1C1CC1 ZINC000758143593 626579006 /nfs/dbraw/zinc/57/90/06/626579006.db2.gz HNBKBZIHHZUNQL-LLVKDONJSA-N 0 1 262.328 2.955 20 30 CFEDMN C=CC[C@H](NC(=O)[C@@H]1CCCc2[nH]ncc21)c1ccncc1 ZINC000758161260 626579384 /nfs/dbraw/zinc/57/93/84/626579384.db2.gz DUWGIKCTJUUWDT-HIFRSBDPSA-N 0 1 296.374 2.658 20 30 CFEDMN CCCCCC[C@H](O)CN1CCC[C@@](C)(C#N)C1 ZINC000759432025 626657907 /nfs/dbraw/zinc/65/79/07/626657907.db2.gz SDHAJVIGXNBBPV-GJZGRUSLSA-N 0 1 252.402 2.943 20 30 CFEDMN N#CC(C(=O)Nc1ccccc1)C(=O)[C@@H]1CC12CCC2 ZINC000759836480 626694750 /nfs/dbraw/zinc/69/47/50/626694750.db2.gz WXADFPFAIRWDHG-OLZOCXBDSA-N 0 1 268.316 2.524 20 30 CFEDMN CCC#C[C@H](C)N1CC[C@@H](N(C)C(=O)OC(C)(C)C)C1 ZINC000759857222 626697884 /nfs/dbraw/zinc/69/78/84/626697884.db2.gz SXKXBRXBCGOXJE-UONOGXRCSA-N 0 1 280.412 2.730 20 30 CFEDMN CC#CCCOC(=O)c1[nH]c(-c2ccccc2)nc1C ZINC000760272925 626727726 /nfs/dbraw/zinc/72/77/26/626727726.db2.gz CHERSJRDJVDJFY-UHFFFAOYSA-N 0 1 268.316 2.955 20 30 CFEDMN N#C[C@H](C(=O)C=CSc1ccccc1)c1ccncn1 ZINC000760337720 626736495 /nfs/dbraw/zinc/73/64/95/626736495.db2.gz BHUKNMBPQAYMBD-XOVSCCBYSA-N 0 1 281.340 2.959 20 30 CFEDMN N#CC(C(=O)C=CSc1ccccc1)c1ccncn1 ZINC000760337720 626736498 /nfs/dbraw/zinc/73/64/98/626736498.db2.gz BHUKNMBPQAYMBD-XOVSCCBYSA-N 0 1 281.340 2.959 20 30 CFEDMN N#C[C@H](C(=O)Cc1c[nH]c2ccc(F)cc12)c1ccncn1 ZINC000760347280 626737461 /nfs/dbraw/zinc/73/74/61/626737461.db2.gz VGCQHEHMHNZMAN-ZDUSSCGKSA-N 0 1 294.289 2.516 20 30 CFEDMN C#CCCN(CC(N)=O)[C@@H](C)c1ccc(CCC)cc1 ZINC000760851048 626778163 /nfs/dbraw/zinc/77/81/63/626778163.db2.gz LUBQQHNPGHUIKL-AWEZNQCLSA-N 0 1 272.392 2.511 20 30 CFEDMN C#CCCN1CCC[C@H](NC(=O)c2cc3ccccc3o2)C1 ZINC000760860740 626778537 /nfs/dbraw/zinc/77/85/37/626778537.db2.gz RIPUUXBVMVIONZ-HNNXBMFYSA-N 0 1 296.370 2.650 20 30 CFEDMN N#CCOc1ccc(CN2CC[C@H](C(F)(F)F)C2)cc1 ZINC000761044381 626793769 /nfs/dbraw/zinc/79/37/69/626793769.db2.gz JQVPRWZSMNCQGR-LBPRGKRZSA-N 0 1 284.281 2.973 20 30 CFEDMN CC[C@]1(C)COCCN1CCCOc1ccc(C#N)cc1 ZINC000761111378 626806264 /nfs/dbraw/zinc/80/62/64/626806264.db2.gz XEQDSFLDMZHMRL-QGZVFWFLSA-N 0 1 288.391 2.828 20 30 CFEDMN Cc1oc2ccccc2c1C=N[N-]c1[nH+]ccn1C ZINC000790305192 626849577 /nfs/dbraw/zinc/84/95/77/626849577.db2.gz CYZLQPZQYRJLAB-UHFFFAOYSA-N 0 1 254.293 2.921 20 30 CFEDMN Cc1ccc2[nH]cc(C=NNc3cnn(C)c3)c2c1 ZINC000761866585 626866831 /nfs/dbraw/zinc/86/68/31/626866831.db2.gz JAOYQCLLGCKXFP-UHFFFAOYSA-N 0 1 253.309 2.656 20 30 CFEDMN Cc1ccc(OC(F)F)c(CN=Nc2cnn(C)c2)c1 ZINC000761880623 626869268 /nfs/dbraw/zinc/86/92/68/626869268.db2.gz IMXYWJJFANGXTD-UHFFFAOYSA-N 0 1 280.278 2.776 20 30 CFEDMN C=CCNC(=O)C(C#N)C(=O)[C@@H](CC)C1CCC(C)CC1 ZINC000764759767 627091036 /nfs/dbraw/zinc/09/10/36/627091036.db2.gz JRLYMKVPMLVFJF-PFSRBDOWSA-N 0 1 290.407 2.850 20 30 CFEDMN COc1cc2ccccc2cc1C(=O)NC1=NO[C@H](C)C1 ZINC000765375403 627133061 /nfs/dbraw/zinc/13/30/61/627133061.db2.gz HNKFKTAVFYXVMK-SNVBAGLBSA-N 0 1 284.315 2.701 20 30 CFEDMN Cc1cc(C(C#N)C(=O)[C@@H](C)CC(C)C)nc(C)n1 ZINC000765585507 627149021 /nfs/dbraw/zinc/14/90/21/627149021.db2.gz ADOKXQXBPFSSSP-GXFFZTMASA-N 0 1 259.353 2.952 20 30 CFEDMN CCN1C[C@H](C)N(C(=O)/C=C/c2ccccc2C#N)C[C@H]1C ZINC000765932573 627164877 /nfs/dbraw/zinc/16/48/77/627164877.db2.gz NELDPHORCSIDLS-SPZIKGKASA-N 0 1 297.402 2.513 20 30 CFEDMN C[C@H]1CCC[C@H](N(C)Cn2cc3c(c(C#N)c2=O)CCC3)C1 ZINC000766611671 627210958 /nfs/dbraw/zinc/21/09/58/627210958.db2.gz GBSUTDTUQZVXLE-ZFWWWQNUSA-N 0 1 299.418 2.677 20 30 CFEDMN CC(C)C[C@H]1CCCN1Cn1cc2c(c(C#N)c1=O)CCC2 ZINC000766620883 627212014 /nfs/dbraw/zinc/21/20/14/627212014.db2.gz YIUYDEOCIMIIBU-OAHLLOKOSA-N 0 1 299.418 2.677 20 30 CFEDMN C[C@@H]1CCC[C@H](C)[N@@H+](Cn2cc3c(c(C#N)c2=O)CCC3)C1 ZINC000766636641 627212443 /nfs/dbraw/zinc/21/24/43/627212443.db2.gz IGRUDOUGIHUSBN-KGLIPLIRSA-N 0 1 299.418 2.677 20 30 CFEDMN C[C@@H]1CCC[C@H](C)N(Cn2cc3c(c(C#N)c2=O)CCC3)C1 ZINC000766636641 627212444 /nfs/dbraw/zinc/21/24/44/627212444.db2.gz IGRUDOUGIHUSBN-KGLIPLIRSA-N 0 1 299.418 2.677 20 30 CFEDMN C#CCCCN(C)CC(=O)Nc1ccccc1CC ZINC000766896095 627225254 /nfs/dbraw/zinc/22/52/54/627225254.db2.gz WUIMYHSFOCSKKF-UHFFFAOYSA-N 0 1 258.365 2.533 20 30 CFEDMN CC#CCCCC(=O)Nc1ccccc1N1CCN(C)CC1 ZINC000767043068 627232297 /nfs/dbraw/zinc/23/22/97/627232297.db2.gz IXCXRCZOFLHXBO-UHFFFAOYSA-N 0 1 299.418 2.571 20 30 CFEDMN COCCON=C1C[C@H](C)CN(Cc2ccccc2)C1 ZINC000767385349 627247208 /nfs/dbraw/zinc/24/72/08/627247208.db2.gz MOBCMSMWIVVUEQ-AWEZNQCLSA-N 0 1 276.380 2.547 20 30 CFEDMN CO[C@H](CNCc1ccc(C#N)c(C)c1)C(F)(F)F ZINC000767691614 627276084 /nfs/dbraw/zinc/27/60/84/627276084.db2.gz SCMGFKREGFVLQH-GFCCVEGCSA-N 0 1 272.270 2.534 20 30 CFEDMN N#CCN1CCN(Cc2ccccc2-c2ccccc2)CC1 ZINC000769297800 627420833 /nfs/dbraw/zinc/42/08/33/627420833.db2.gz LACUFMILONTLIX-UHFFFAOYSA-N 0 1 291.398 2.995 20 30 CFEDMN CCc1noc(C)c1C(C)N=Nc1cncc(Cl)n1 ZINC000769797550 627475283 /nfs/dbraw/zinc/47/52/83/627475283.db2.gz VPAVCWVBJWFBKK-UHFFFAOYSA-N 0 1 279.731 2.825 20 30 CFEDMN C=C(C)[C@H](CO)N1CCC(O)(c2ccccc2Cl)CC1 ZINC000769816088 627477923 /nfs/dbraw/zinc/47/79/23/627477923.db2.gz QXVZLFCVTASNRR-HNNXBMFYSA-N 0 1 295.810 2.560 20 30 CFEDMN Cn1ccc(CN=Nc2ccc(F)c([N+](=O)[O-])c2)c1 ZINC000769821880 627478413 /nfs/dbraw/zinc/47/84/13/627478413.db2.gz FJXMRAJGDSEWMZ-UHFFFAOYSA-N 0 1 262.244 2.518 20 30 CFEDMN C#CCCCN1CCN(c2ccc(C#N)cc2Cl)CC1 ZINC000769919666 627487452 /nfs/dbraw/zinc/48/74/52/627487452.db2.gz DEUYSGYDZUMQKN-UHFFFAOYSA-N 0 1 287.794 2.747 20 30 CFEDMN C#C[C@H](C)N(C)Cc1ccc(C(=O)OC(C)C)cc1 ZINC000769960957 627490368 /nfs/dbraw/zinc/49/03/68/627490368.db2.gz HLZYYIGQVNCOFA-ZDUSSCGKSA-N 0 1 259.349 2.705 20 30 CFEDMN C#C[C@@H](C)N(C)C[C@H](O)c1ccc(Cl)cc1Cl ZINC000769960929 627491865 /nfs/dbraw/zinc/49/18/65/627491865.db2.gz FAFYLOWNYWZLOF-RNCFNFMXSA-N 0 1 272.175 2.980 20 30 CFEDMN C=C(Cl)CN(C[C@H](O)COc1ccccc1)C(C)C ZINC000770044668 627498385 /nfs/dbraw/zinc/49/83/85/627498385.db2.gz RQSCQYIFVGWLGL-AWEZNQCLSA-N 0 1 283.799 2.889 20 30 CFEDMN CC[C@H](C(=O)OCC#Cc1ccc(F)cc1)N(CC)CC ZINC000771361289 627598124 /nfs/dbraw/zinc/59/81/24/627598124.db2.gz HSYNRHSOWFJGHI-MRXNPFEDSA-N 0 1 291.366 2.841 20 30 CFEDMN CC(C)[C@H](C(=O)OCCCSCC#N)N1CCCCC1 ZINC000805459893 627688260 /nfs/dbraw/zinc/68/82/60/627688260.db2.gz QMSXOOJMZCWWHF-CQSZACIVSA-N 0 1 298.452 2.687 20 30 CFEDMN Cc1nc(Cl)cc(NN=Cc2ccc(C#N)cc2F)n1 ZINC000772846072 627751363 /nfs/dbraw/zinc/75/13/63/627751363.db2.gz ZNERORMVCAWBAD-UHFFFAOYSA-N 0 1 289.701 2.895 20 30 CFEDMN C[C@@H](O)c1ncc(CN=Nc2ccccc2[N+](=O)[O-])s1 ZINC000772990988 627765592 /nfs/dbraw/zinc/76/55/92/627765592.db2.gz QNVHWNRCCMLNPF-MRVPVSSYSA-N 0 1 292.320 2.551 20 30 CFEDMN Cc1nn(C)c(Cl)c1C=NNc1nccnc1C(C)C ZINC000773079247 627779819 /nfs/dbraw/zinc/77/98/19/627779819.db2.gz XBYFCTZNCOCFFI-UHFFFAOYSA-N 0 1 292.774 2.741 20 30 CFEDMN C=C(C)CNC(=S)N(C)Cc1cc(C(C)(C)C)[nH]n1 ZINC000773191666 627793526 /nfs/dbraw/zinc/79/35/26/627793526.db2.gz JVADHYRWVNKWRT-UHFFFAOYSA-N 0 1 280.441 2.590 20 30 CFEDMN C#C[C@H](NCc1cccc(SC)c1)[C@H]1CCCO1 ZINC000851949773 634604480 /nfs/dbraw/zinc/60/44/80/634604480.db2.gz IYOJRKIJMUKBIL-LSDHHAIUSA-N 0 1 261.390 2.679 20 30 CFEDMN C#CCCCCC(=O)OC[C@@H]1CCCN1Cc1ccco1 ZINC000773834779 627862441 /nfs/dbraw/zinc/86/24/41/627862441.db2.gz NTBRGGUUHWKSGG-HNNXBMFYSA-N 0 1 289.375 2.981 20 30 CFEDMN CC1(C)CCC[C@@H]1C(=O)[C@@H](C#N)C(=O)NC1CCCCC1 ZINC000773977256 627875689 /nfs/dbraw/zinc/87/56/89/627875689.db2.gz VZPPRDFEYCYRGR-ZIAGYGMSSA-N 0 1 290.407 2.970 20 30 CFEDMN C#CCN1CCC[C@@H]1COC(=O)[C@H](C)CC(C)(C)C ZINC000774063866 627883306 /nfs/dbraw/zinc/88/33/06/627883306.db2.gz TVMUOBHBVIRXMZ-ZIAGYGMSSA-N 0 1 265.397 2.700 20 30 CFEDMN C#CCN1CCC[C@@H]1COC(=O)[C@@H](C)CC(C)(C)C ZINC000774063865 627883462 /nfs/dbraw/zinc/88/34/62/627883462.db2.gz TVMUOBHBVIRXMZ-UONOGXRCSA-N 0 1 265.397 2.700 20 30 CFEDMN COC(=O)c1coc(/C=C/C(=O)c2cc(F)ccc2O)c1 ZINC000774135744 627892893 /nfs/dbraw/zinc/89/28/93/627892893.db2.gz NIIWLIAIWQUJAJ-HWKANZROSA-N 0 1 290.246 2.807 20 30 CFEDMN C#C[C@H](NCc1ccc(OC(F)(F)F)cc1)[C@H]1CCCO1 ZINC000775339977 628011557 /nfs/dbraw/zinc/01/15/57/628011557.db2.gz DZTNKBPRWJCLHW-UONOGXRCSA-N 0 1 299.292 2.856 20 30 CFEDMN C#C[C@@H](NCc1ccc2ncccc2c1)[C@@H]1CCCO1 ZINC000775340221 628011713 /nfs/dbraw/zinc/01/17/13/628011713.db2.gz GBRBDIDTBOTVSC-WBVHZDCISA-N 0 1 266.344 2.505 20 30 CFEDMN C#C[C@H](NCc1ccccc1C1CC1)[C@H]1CCCO1 ZINC000775341603 628012805 /nfs/dbraw/zinc/01/28/05/628012805.db2.gz MIJGQVAYFJYJNN-DLBZAZTESA-N 0 1 255.361 2.834 20 30 CFEDMN C#C[C@@H](NCc1ccccc1C1CC1)[C@H]1CCCO1 ZINC000775341604 628012842 /nfs/dbraw/zinc/01/28/42/628012842.db2.gz MIJGQVAYFJYJNN-IAGOWNOFSA-N 0 1 255.361 2.834 20 30 CFEDMN C#C[C@H](NC/C=C/c1ccc(F)cc1F)[C@@H]1CCCO1 ZINC000775352670 628015194 /nfs/dbraw/zinc/01/51/94/628015194.db2.gz YNIULSWWUUFZQH-TVKHYIBRSA-N 0 1 277.314 2.748 20 30 CFEDMN C#CC[C@H](NCC(=O)N[C@H](C)C(C)C)c1ccccc1 ZINC000775398333 628020252 /nfs/dbraw/zinc/02/02/52/628020252.db2.gz GNIGHKSWVYJMTA-ZBFHGGJFSA-N 0 1 272.392 2.501 20 30 CFEDMN C#C[C@H](N[C@@H](C)c1ccc(-n2cccn2)cc1)[C@@H]1CCCO1 ZINC000775571160 628039724 /nfs/dbraw/zinc/03/97/24/628039724.db2.gz BDLPYDNLSQEYFT-WBAXXEDZSA-N 0 1 295.386 2.704 20 30 CFEDMN C#C[C@H](N[C@@H]1CCCc2sccc21)[C@H]1CCCO1 ZINC000775574527 628042185 /nfs/dbraw/zinc/04/21/85/628042185.db2.gz PYIQXMZGFGRNSZ-BFHYXJOUSA-N 0 1 261.390 2.896 20 30 CFEDMN C#C[C@H](N[C@H](C)c1ccc(OC)c(F)c1)[C@H]1CCCO1 ZINC000775575102 628042513 /nfs/dbraw/zinc/04/25/13/628042513.db2.gz UYIRMXGTFDXAIA-DIOULYMOSA-N 0 1 277.339 2.666 20 30 CFEDMN C#C[C@H](N[C@@H](C)c1ccc(C#N)c(F)c1)[C@@H]1CCCO1 ZINC000775574793 628042540 /nfs/dbraw/zinc/04/25/40/628042540.db2.gz RXOHZEFVJMJXAV-UVBJJODRSA-N 0 1 272.323 2.529 20 30 CFEDMN C#C[C@H](N[C@@H](C)c1cccc(OC)c1)[C@H]1CCCO1 ZINC000775574567 628042572 /nfs/dbraw/zinc/04/25/72/628042572.db2.gz QZJAEWOBVDILFT-VBNZEHGJSA-N 0 1 259.349 2.527 20 30 CFEDMN COC(=O)c1ccccc1CCN(CCC#N)CC(C)C ZINC000775605169 628045510 /nfs/dbraw/zinc/04/55/10/628045510.db2.gz XURKLHBCGRFXJT-UHFFFAOYSA-N 0 1 288.391 2.887 20 30 CFEDMN C=CCNC(=O)C(C#N)C(=O)[C@H](CC)CCCCC ZINC000776076374 628099134 /nfs/dbraw/zinc/09/91/34/628099134.db2.gz FWFPTOINOBEBRQ-CHWSQXEVSA-N 0 1 264.369 2.604 20 30 CFEDMN COC(=O)c1ccccc1N=NC(C)c1ccc(F)cn1 ZINC000776186964 628113592 /nfs/dbraw/zinc/11/35/92/628113592.db2.gz AQMUAXVNCLVPTD-UHFFFAOYSA-N 0 1 287.294 2.843 20 30 CFEDMN Cc1cccc2nc([C@H](C#N)C(=O)[C@H]3CCO[C@@H](C)C3)[nH]c21 ZINC000776523335 628156261 /nfs/dbraw/zinc/15/62/61/628156261.db2.gz SGZIOYKBLJZBIO-RWMBFGLXSA-N 0 1 297.358 2.863 20 30 CFEDMN Cc1cccc2nc([C@H](C#N)C(=O)[C@H]3CCO[C@H](C)C3)[nH]c21 ZINC000776523333 628156350 /nfs/dbraw/zinc/15/63/50/628156350.db2.gz SGZIOYKBLJZBIO-FRRDWIJNSA-N 0 1 297.358 2.863 20 30 CFEDMN C#CCCN1CCN([C@@H](C)c2cc(F)ccc2F)CC1 ZINC000776593596 628163120 /nfs/dbraw/zinc/16/31/20/628163120.db2.gz LSNPJPJMNOKZOH-ZDUSSCGKSA-N 0 1 278.346 2.667 20 30 CFEDMN Cc1cc2ccccc2nc1N=NCc1cnn(C)c1 ZINC000776783278 628177225 /nfs/dbraw/zinc/17/72/25/628177225.db2.gz SHEOMSBIYIGXRV-UHFFFAOYSA-N 0 1 265.320 2.723 20 30 CFEDMN C#CCN(CCO[C@H]1CC1(F)F)Cc1ccccc1 ZINC000852045376 634635429 /nfs/dbraw/zinc/63/54/29/634635429.db2.gz LKLINFAGXBBREE-AWEZNQCLSA-N 0 1 265.303 2.546 20 30 CFEDMN N#Cc1cc(Cl)nc(NN=Cc2ccc(F)nc2)c1 ZINC000777442506 628226370 /nfs/dbraw/zinc/22/63/70/628226370.db2.gz JESOFZHLMVOHFI-UHFFFAOYSA-N 0 1 275.674 2.587 20 30 CFEDMN COC[C@@H](C)NN=C(C)c1[nH]c(-c2ccccc2)nc1C ZINC000777893857 628262596 /nfs/dbraw/zinc/26/25/96/628262596.db2.gz WDMHFTZFNGQURD-LLVKDONJSA-N 0 1 286.379 2.734 20 30 CFEDMN C[C@@H]1C[C@@H]1c1ccc(C=NN=c2cc(Cl)[nH]c(N)n2)o1 ZINC000778548830 628314671 /nfs/dbraw/zinc/31/46/71/628314671.db2.gz JWGJKDPYPZMRGX-APPZFPTMSA-N 0 1 291.742 2.875 20 30 CFEDMN C[C@H]1C[C@@H]1c1ccc(C=NN=c2cc(Cl)[nH]c(N)n2)o1 ZINC000778548831 628314850 /nfs/dbraw/zinc/31/48/50/628314850.db2.gz JWGJKDPYPZMRGX-CBAPKCEASA-N 0 1 291.742 2.875 20 30 CFEDMN C#C[C@](C)(CC)NCC(=O)N1c2ccccc2CC[C@@H]1C ZINC000852097079 634650900 /nfs/dbraw/zinc/65/09/00/634650900.db2.gz KVSNHEMUEDTWON-KBXCAEBGSA-N 0 1 284.403 2.746 20 30 CFEDMN C#C[C@](C)(CC)N[C@H]1CCCN(c2ccccc2)C1=O ZINC000852101701 634657000 /nfs/dbraw/zinc/65/70/00/634657000.db2.gz HANKHIWAYOINJN-DOTOQJQBSA-N 0 1 270.376 2.574 20 30 CFEDMN C#C[C@@](C)(CC)N[C@@H](C)C(=O)Nc1ccc(C)cc1F ZINC000852099360 634652724 /nfs/dbraw/zinc/65/27/24/634652724.db2.gz KQXDWWJPUWQSOV-LRDDRELGSA-N 0 1 276.355 2.853 20 30 CFEDMN FC(F)(F)CCN1CCC(=NOCC(F)(F)F)CC1 ZINC000779781490 628402728 /nfs/dbraw/zinc/40/27/28/628402728.db2.gz DRJQTDRWFKGOIL-UHFFFAOYSA-N 0 1 292.223 2.970 20 30 CFEDMN CC(=CN=NC1=NC[C@@H](C)N1)Cc1ccc(Cl)cc1 ZINC000779794357 628407143 /nfs/dbraw/zinc/40/71/43/628407143.db2.gz HAJUMHPMQRTCGH-IFFXVBLBSA-N 0 1 276.771 2.666 20 30 CFEDMN CC(=NNC1=NC[C@H](C)N1)c1ccc(SC(F)F)cc1 ZINC000779801461 628407706 /nfs/dbraw/zinc/40/77/06/628407706.db2.gz ULFUWLFRFKNFAV-QMMMGPOBSA-N 0 1 298.362 2.663 20 30 CFEDMN C[C@H]1CN=C(NN=C2CCCCc3ccc(Cl)cc32)N1 ZINC000779805843 628408358 /nfs/dbraw/zinc/40/83/58/628408358.db2.gz TXQXSXRVQBKZEE-JTQLQIEISA-N 0 1 290.798 2.708 20 30 CFEDMN C#C[C@](C)(CC)N[C@H](CC)C(=O)Nc1ccc(OC)cc1 ZINC000852099196 634653374 /nfs/dbraw/zinc/65/33/74/634653374.db2.gz GQHDDLFGYRXKNX-NVXWUHKLSA-N 0 1 288.391 2.804 20 30 CFEDMN COc1cccc(NN=Cc2cnn(-c3ccccc3)c2)n1 ZINC000779816680 628410399 /nfs/dbraw/zinc/41/03/99/628410399.db2.gz FJKORFVEUIVTLI-UHFFFAOYSA-N 0 1 293.330 2.722 20 30 CFEDMN COc1cccc(N=NCc2cnc(-c3ccccc3)[nH]2)n1 ZINC000779817176 628410404 /nfs/dbraw/zinc/41/04/04/628410404.db2.gz NVAMLTVLMOFUQH-UHFFFAOYSA-N 0 1 293.330 2.926 20 30 CFEDMN COc1ccc(C=NNc2cccc(OC)n2)s1 ZINC000779820300 628411161 /nfs/dbraw/zinc/41/11/61/628411161.db2.gz GJVRZPLEKHCNJG-UHFFFAOYSA-N 0 1 263.322 2.606 20 30 CFEDMN C#C[C@@](C)(CC)N[C@H]1CCCN(c2ccccc2F)C1=O ZINC000852100246 634653942 /nfs/dbraw/zinc/65/39/42/634653942.db2.gz GIOBRCKQNVIEMF-YOEHRIQHSA-N 0 1 288.366 2.713 20 30 CFEDMN C#C[C@@](C)(CC)N[C@H](C)C(=O)Nc1ccccc1OCC ZINC000852100297 634653972 /nfs/dbraw/zinc/65/39/72/634653972.db2.gz VURFCTBQRGGLOB-DYVFJYSZSA-N 0 1 288.391 2.804 20 30 CFEDMN C#C[C@@](C)(CC)N[C@H](C)C(=O)N(CCC#N)c1ccccc1 ZINC000852100107 634654002 /nfs/dbraw/zinc/65/40/02/634654002.db2.gz FOGDXBFUTVRVAZ-QAPCUYQASA-N 0 1 297.402 2.713 20 30 CFEDMN C#C[C@@](C)(CC)N[C@@H](C)C(=O)Nc1ccccc1OCC ZINC000852100299 634654147 /nfs/dbraw/zinc/65/41/47/634654147.db2.gz VURFCTBQRGGLOB-GUYCJALGSA-N 0 1 288.391 2.804 20 30 CFEDMN C#C[C@](C)(CC)N[C@@H](C)C(=O)c1c[nH]c2ncccc12 ZINC000852101119 634655781 /nfs/dbraw/zinc/65/57/81/634655781.db2.gz MLUCMDHYPNSVJX-MEDUHNTESA-N 0 1 269.348 2.526 20 30 CFEDMN CN(C)c1ccc(C=NN[C@H]2CCOC(C)(C)C2)cc1F ZINC000780241088 628443220 /nfs/dbraw/zinc/44/32/20/628443220.db2.gz LIYJREQJISBOEM-ZDUSSCGKSA-N 0 1 293.386 2.773 20 30 CFEDMN COc1ccc(N=NC2CCc3ccc(F)cc32)nc1 ZINC000780268862 628448533 /nfs/dbraw/zinc/44/85/33/628448533.db2.gz LPBUOMPAOXMYRZ-UHFFFAOYSA-N 0 1 271.295 2.992 20 30 CFEDMN COc1ccc(N=NC2CCOc3c(C)cccc32)nc1 ZINC000780268685 628448683 /nfs/dbraw/zinc/44/86/83/628448683.db2.gz SGWZCCFZPZYUTO-UHFFFAOYSA-N 0 1 283.331 2.997 20 30 CFEDMN COC(=O)c1ccc(C(C)=NNc2ccc(OC)cn2)cc1 ZINC000780274509 628449223 /nfs/dbraw/zinc/44/92/23/628449223.db2.gz DRLXDQHZXDEIMB-UHFFFAOYSA-N 0 1 299.330 2.713 20 30 CFEDMN COc1ccc(NN=C(C)c2ccc(C#N)cc2)nc1 ZINC000780275163 628449733 /nfs/dbraw/zinc/44/97/33/628449733.db2.gz RWCDJEFRDNCALM-UHFFFAOYSA-N 0 1 266.304 2.798 20 30 CFEDMN C#C[C@@](C)(CC)N[C@H](C)C(=O)Nc1ccc(OCC)cc1 ZINC000852101517 634656416 /nfs/dbraw/zinc/65/64/16/634656416.db2.gz RNTTWQIGPVFGIH-DYVFJYSZSA-N 0 1 288.391 2.804 20 30 CFEDMN C#C[C@@](C)(CC)NCc1cc(C(=O)OC)oc1CC ZINC000852102870 634657534 /nfs/dbraw/zinc/65/75/34/634657534.db2.gz RWEBFJPKBBQNCN-HNNXBMFYSA-N 0 1 263.337 2.520 20 30 CFEDMN N#Cc1ccc(CNC/C=C/c2ccc(F)cc2)nc1 ZINC000780555861 628476181 /nfs/dbraw/zinc/47/61/81/628476181.db2.gz JXKHAJZSNDECEO-OWOJBTEDSA-N 0 1 267.307 2.895 20 30 CFEDMN CSc1ccc(CNCc2ccc(C#N)cn2)cc1 ZINC000780559373 628477326 /nfs/dbraw/zinc/47/73/26/628477326.db2.gz ZIZRORVRWCXRCX-UHFFFAOYSA-N 0 1 269.373 2.965 20 30 CFEDMN C#C[C@](C)(CC)NCc1ccc([N+](=O)[O-])c(OCC)c1 ZINC000852103533 634658953 /nfs/dbraw/zinc/65/89/53/634658953.db2.gz KEKFJFKIOANUGC-OAHLLOKOSA-N 0 1 276.336 2.885 20 30 CFEDMN C#CCCCCC(=O)Nc1cc(C(C)=O)ccc1O ZINC000781431529 628548400 /nfs/dbraw/zinc/54/84/00/628548400.db2.gz WSVQONKIMLEGIM-UHFFFAOYSA-N 0 1 259.305 2.727 20 30 CFEDMN Cc1cccnc1C=N[N-]c1[nH]c2cc(F)c(F)cc2[nH+]1 ZINC000781589432 628562569 /nfs/dbraw/zinc/56/25/69/628562569.db2.gz LJWKFJNPGDSXFP-UHFFFAOYSA-N 0 1 287.273 2.991 20 30 CFEDMN Cc1cccnc1C=NNc1nc2cc(F)c(F)cc2[nH]1 ZINC000781589432 628562572 /nfs/dbraw/zinc/56/25/72/628562572.db2.gz LJWKFJNPGDSXFP-UHFFFAOYSA-N 0 1 287.273 2.991 20 30 CFEDMN CCCCCNC(=O)C(C#N)C(=O)[C@@H]1CCC(C)(C)C1 ZINC000781763963 628579087 /nfs/dbraw/zinc/57/90/87/628579087.db2.gz AIOOLLAJZGAUSE-CHWSQXEVSA-N 0 1 278.396 2.828 20 30 CFEDMN c1ccc2[nH]c(NN=C3COCc4ccccc43)nc2c1 ZINC000782127234 628606145 /nfs/dbraw/zinc/60/61/45/628606145.db2.gz LIGKTKZIZFUSMC-UHFFFAOYSA-N 0 1 278.315 2.909 20 30 CFEDMN Cc1nc(F)ccc1C=NNc1cnc2ccccc2n1 ZINC000782221563 628616284 /nfs/dbraw/zinc/61/62/84/628616284.db2.gz QMCOFDRMDVOULV-UHFFFAOYSA-N 0 1 281.294 2.918 20 30 CFEDMN N#C[C@H](OC(=O)CCCCc1cn[nH]n1)C1CCCCC1 ZINC000782314353 628627467 /nfs/dbraw/zinc/62/74/67/628627467.db2.gz LMLKCBAMTDULBD-AWEZNQCLSA-N 0 1 290.367 2.533 20 30 CFEDMN CO[C@H](C)CCC(=O)[C@@H](C#N)c1nc2cccc(C)c2[nH]1 ZINC000782600239 628647184 /nfs/dbraw/zinc/64/71/84/628647184.db2.gz HLEPTZHDIOPSEN-VXGBXAGGSA-N 0 1 285.347 2.863 20 30 CFEDMN C=CCCCOC(=O)[C@]1(F)CCN(C(C)(C)C)C1 ZINC000810604397 628683889 /nfs/dbraw/zinc/68/38/89/628683889.db2.gz QZEHZJDNSMWIHN-AWEZNQCLSA-N 0 1 257.349 2.708 20 30 CFEDMN C[C@H](NCc1ccc(C#N)cn1)c1ccc2c(c1)CCO2 ZINC000783300166 628698843 /nfs/dbraw/zinc/69/88/43/628698843.db2.gz JHRFJHXEQFGUMX-LBPRGKRZSA-N 0 1 279.343 2.739 20 30 CFEDMN Cc1cc([C@@H](C#N)C(=O)[C@@H]2CCCCS2)nc(C)n1 ZINC000783348818 628700721 /nfs/dbraw/zinc/70/07/21/628700721.db2.gz CVLWJDNGVQDKEK-YPMHNXCESA-N 0 1 275.377 2.555 20 30 CFEDMN Cc1nccnc1C(C)N=Nc1cccc(F)c1F ZINC000783521337 628716510 /nfs/dbraw/zinc/71/65/10/628716510.db2.gz SFEGDXSJIGIKAM-UHFFFAOYSA-N 0 1 262.263 2.899 20 30 CFEDMN C=CCS(=O)(=O)CCN[C@@H](C)c1cc(C)c(F)c(C)c1 ZINC000783536916 628718924 /nfs/dbraw/zinc/71/89/24/628718924.db2.gz RNGIZQPJSIKWDB-ZDUSSCGKSA-N 0 1 299.411 2.694 20 30 CFEDMN Cc1nn(-c2ccncc2)cc1C=NNCc1ccccc1 ZINC000783814014 628747495 /nfs/dbraw/zinc/74/74/95/628747495.db2.gz ZAGDRZXCPZXZQG-UHFFFAOYSA-N 0 1 291.358 2.699 20 30 CFEDMN CC(C)(C#N)CCCOC(=O)c1ccc2c(c1)n[nH]c2C=O ZINC000784458138 628818570 /nfs/dbraw/zinc/81/85/70/628818570.db2.gz YRENLZLUZSBUNA-UHFFFAOYSA-N 0 1 299.330 2.862 20 30 CFEDMN CC(C)[C@@H](F)C(=O)[C@H](C#N)C(=O)Nc1ccccc1Cl ZINC000784490989 628821003 /nfs/dbraw/zinc/82/10/03/628821003.db2.gz NZBWHVODJKCALK-JOYOIKCWSA-N 0 1 296.729 2.981 20 30 CFEDMN Cc1cc(COC(=O)CN2[C@H](C)CC[C@@H]2C)ccc1C#N ZINC000785725514 628908067 /nfs/dbraw/zinc/90/80/67/628908067.db2.gz AJAQMWFRWUUEJJ-OKILXGFUSA-N 0 1 286.375 2.783 20 30 CFEDMN C=C[C@H]1CCCCN1C[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000785999074 628929563 /nfs/dbraw/zinc/92/95/63/628929563.db2.gz QEJCHMJOJQTBJY-ZFWWWQNUSA-N 0 1 276.336 2.669 20 30 CFEDMN C=C[C@H]1CCCCN1C[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC000785999068 628929704 /nfs/dbraw/zinc/92/97/04/628929704.db2.gz QEJCHMJOJQTBJY-DZGCQCFKSA-N 0 1 276.336 2.669 20 30 CFEDMN C=CCCN(C)CN1C[C@@](C)(C2CCCC2)CC1=O ZINC000786100865 628937034 /nfs/dbraw/zinc/93/70/34/628937034.db2.gz FSQWHQALBOBOLG-INIZCTEOSA-N 0 1 264.413 2.881 20 30 CFEDMN C=CCC[N@H+](C)[C@H](C)C(=O)Nc1cccnc1Cl ZINC000786446041 628957080 /nfs/dbraw/zinc/95/70/80/628957080.db2.gz QIDAUBQKYADMBI-SNVBAGLBSA-N 0 1 267.760 2.570 20 30 CFEDMN C=CCCN(C)[C@H](C)C(=O)Nc1cccnc1Cl ZINC000786446041 628957082 /nfs/dbraw/zinc/95/70/82/628957082.db2.gz QIDAUBQKYADMBI-SNVBAGLBSA-N 0 1 267.760 2.570 20 30 CFEDMN CCc1ccc(NC(=O)C(C#N)C(=O)[C@@H]2C[C@H]2C)cc1 ZINC000786446705 628957383 /nfs/dbraw/zinc/95/73/83/628957383.db2.gz DNGDWEADAYRNGA-LERXQTSPSA-N 0 1 270.332 2.552 20 30 CFEDMN CC=C(C)C(=O)[C@H](C#N)C(=O)NCc1cccc(Cl)c1 ZINC000786535967 628966820 /nfs/dbraw/zinc/96/68/20/628966820.db2.gz WVTJGTSLJGCJBN-JUSXSOTRSA-N 0 1 290.750 2.631 20 30 CFEDMN C#C[C@H](N[C@H](C)c1cnn(C(C)C)c1C)[C@H]1CCCO1 ZINC000786935573 628985486 /nfs/dbraw/zinc/98/54/86/628985486.db2.gz MRMHQRJRVZGBTJ-UHOFOFEASA-N 0 1 275.396 2.604 20 30 CFEDMN CC[C@@H](NC(=O)C(C#N)C(=O)[C@@H]1C[C@H]1C)c1ccccc1 ZINC000787033395 628989584 /nfs/dbraw/zinc/98/95/84/628989584.db2.gz UZZIZHHXHBVMMQ-REBRKWNGSA-N 0 1 284.359 2.619 20 30 CFEDMN C#CCCN1CCN(Cc2cc(Cl)ccc2F)CC1 ZINC000787271332 629003267 /nfs/dbraw/zinc/00/32/67/629003267.db2.gz JHQBLLPLNZKEOE-UHFFFAOYSA-N 0 1 280.774 2.620 20 30 CFEDMN CC(C)[C@H](C(=O)OCC#Cc1ccc(Cl)cc1)N(C)C ZINC000787961615 629044364 /nfs/dbraw/zinc/04/43/64/629044364.db2.gz MMZSCVJXTGTMJR-OAHLLOKOSA-N 0 1 293.794 2.821 20 30 CFEDMN C#CCC1(C(=O)NCc2cc(CC)[nH]n2)CCCCC1 ZINC000788514164 629077863 /nfs/dbraw/zinc/07/78/63/629077863.db2.gz UQCMFFYWDHRTND-UHFFFAOYSA-N 0 1 273.380 2.562 20 30 CFEDMN C#CCCN1CCN(c2ccnc3c(F)cccc23)CC1 ZINC000788843402 629103999 /nfs/dbraw/zinc/10/39/99/629103999.db2.gz FVXMRPRHAQFBPX-UHFFFAOYSA-N 0 1 283.350 2.519 20 30 CFEDMN CC(=NNCCc1ccncc1)c1ccc(N(C)C)cc1 ZINC000789094870 629125701 /nfs/dbraw/zinc/12/57/01/629125701.db2.gz WLCXILMGFAJTDR-UHFFFAOYSA-N 0 1 282.391 2.704 20 30 CFEDMN Oc1c(F)cc(Cl)cc1C=NNCCc1ccncc1 ZINC000789096671 629126276 /nfs/dbraw/zinc/12/62/76/629126276.db2.gz GKIIDQUMHKQRGI-UHFFFAOYSA-N 0 1 293.729 2.746 20 30 CFEDMN CC(C)[C@@H](C(=O)OCCC#Cc1ccccc1)N(C)C ZINC000789804119 629189085 /nfs/dbraw/zinc/18/90/85/629189085.db2.gz ZEBAKXMYRJAOFV-INIZCTEOSA-N 0 1 273.376 2.558 20 30 CFEDMN CCN(C)c1ccc(C=NNCc2ccc(OC)cc2)cn1 ZINC000790157997 629214584 /nfs/dbraw/zinc/21/45/84/629214584.db2.gz QQRSQXUROCJTLC-UHFFFAOYSA-N 0 1 298.390 2.670 20 30 CFEDMN CC[C@@H](C)NN=C1CCN(Cc2ccccn2)C[C@@H]1C ZINC000790190881 629218131 /nfs/dbraw/zinc/21/81/31/629218131.db2.gz RVEWXIREVDHXLT-UONOGXRCSA-N 0 1 274.412 2.668 20 30 CFEDMN COc1cccc(NN=Cc2ccnn2-c2ccccc2)n1 ZINC000790298037 629227053 /nfs/dbraw/zinc/22/70/53/629227053.db2.gz SARDNWJKXQFDIE-UHFFFAOYSA-N 0 1 293.330 2.722 20 30 CFEDMN Cn1cc[nH+]c1[N-]N=Cc1cccc(Cl)c1F ZINC000790299569 629227074 /nfs/dbraw/zinc/22/70/74/629227074.db2.gz FVUPYCVPFFKMRB-UHFFFAOYSA-N 0 1 252.680 2.659 20 30 CFEDMN CC(=N[N-]c1[nH+]ccn1C)c1cnc2ccsc2c1 ZINC000790302695 629228244 /nfs/dbraw/zinc/22/82/44/629228244.db2.gz XIMXXYRUYCPWSB-UHFFFAOYSA-N 0 1 271.349 2.866 20 30 CFEDMN Cn1ccnc1NN=C1CC2(CCC2)Oc2ccccc21 ZINC000790306307 629229863 /nfs/dbraw/zinc/22/98/63/629229863.db2.gz WXESRZYSWAPHFY-UHFFFAOYSA-N 0 1 282.347 2.942 20 30 CFEDMN C#CCCN1Cc2ccccc2[C@@H](C(=O)OC(C)(C)C)C1 ZINC000852317576 634720142 /nfs/dbraw/zinc/72/01/42/634720142.db2.gz JSXOFHNXWMTXDH-INIZCTEOSA-N 0 1 285.387 2.951 20 30 CFEDMN C[C@@H]1C[C@@H](CN2CCC[C@](C#N)(c3ccccn3)C2)CCO1 ZINC000852331523 634723470 /nfs/dbraw/zinc/72/34/70/634723470.db2.gz AHZFWOXJDJXETC-SOLBZPMBSA-N 0 1 299.418 2.754 20 30 CFEDMN C#C[C@@H](CCC)NC(=O)[C@H](c1ccccc1)N(C)CC ZINC000791743874 629351667 /nfs/dbraw/zinc/35/16/67/629351667.db2.gz UMMJRGDZAIWXSL-HOTGVXAUSA-N 0 1 272.392 2.598 20 30 CFEDMN N#CC(C(=O)[C@@H]1CC12CCSCC2)c1ccccn1 ZINC000835061990 629363898 /nfs/dbraw/zinc/36/38/98/629363898.db2.gz WMNUYLSRUIPCHC-RYUDHWBXSA-N 0 1 272.373 2.791 20 30 CFEDMN N#CC(C(=O)[C@H]1CC12CCSCC2)c1ccccn1 ZINC000835061988 629365161 /nfs/dbraw/zinc/36/51/61/629365161.db2.gz WMNUYLSRUIPCHC-NWDGAFQWSA-N 0 1 272.373 2.791 20 30 CFEDMN CC(C)CC(CC(C)C)C(=O)C(C#N)C(=O)NC1CC1 ZINC000835065397 629366922 /nfs/dbraw/zinc/36/69/22/629366922.db2.gz NCIJWWJECZGDAF-CQSZACIVSA-N 0 1 278.396 2.682 20 30 CFEDMN CC[C@@H]1CCC[C@H]1C(=O)[C@@H](C#N)C(=O)NC1CCCC1 ZINC000835074548 629370464 /nfs/dbraw/zinc/37/04/64/629370464.db2.gz SSZWXPHBIUTRMI-MRVWCRGKSA-N 0 1 276.380 2.580 20 30 CFEDMN CC[C@@H]1CCC[C@H]1C(=O)[C@H](C#N)C(=O)NC1CCCC1 ZINC000835074542 629370559 /nfs/dbraw/zinc/37/05/59/629370559.db2.gz SSZWXPHBIUTRMI-BNOWGMLFSA-N 0 1 276.380 2.580 20 30 CFEDMN C=CCN(Cc1ccnc(Br)c1)[C@H](C)COC ZINC000852356312 634730856 /nfs/dbraw/zinc/73/08/56/634730856.db2.gz ASAJEVRWJYPLNX-LLVKDONJSA-N 0 1 299.212 2.867 20 30 CFEDMN C=CCN(Cc1cccc(Cl)n1)[C@H](C)COC ZINC000852358089 634732791 /nfs/dbraw/zinc/73/27/91/634732791.db2.gz MBTXEGDOBWNUSA-LLVKDONJSA-N 0 1 254.761 2.758 20 30 CFEDMN C#CCN(CC#CC)Cc1c(O)ccc(Cl)c1F ZINC000792165859 629403933 /nfs/dbraw/zinc/40/39/33/629403933.db2.gz LQMHMPUXWMDLEP-UHFFFAOYSA-N 0 1 265.715 2.643 20 30 CFEDMN Cc1nc(C)c(C=NN=c2[nH]c3cc(F)c(F)cc3[nH]2)o1 ZINC000792960958 629470835 /nfs/dbraw/zinc/47/08/35/629470835.db2.gz AXSCUEGEIMRFSN-UHFFFAOYSA-N 0 1 291.261 2.892 20 30 CFEDMN C(=NNC1=N[C@@H]2CCCC[C@H]2N1)c1ccc2c(c1)CCCC2 ZINC000793033576 629477887 /nfs/dbraw/zinc/47/78/87/629477887.db2.gz DAPDLFKUSIUSCA-IAGOWNOFSA-N 0 1 296.418 2.759 20 30 CFEDMN CC1(CNN=Cc2cc(-c3cccnc3)[nH]n2)CCCC1 ZINC000793084538 629485955 /nfs/dbraw/zinc/48/59/55/629485955.db2.gz PQPUHSHDJFNIMA-UHFFFAOYSA-N 0 1 283.379 2.976 20 30 CFEDMN FC(F)(F)c1cc(CN=Nc2cccc(Cl)n2)n[nH]1 ZINC000793163629 629495613 /nfs/dbraw/zinc/49/56/13/629495613.db2.gz MDBGKIUFCSSPHT-UHFFFAOYSA-N 0 1 289.648 2.923 20 30 CFEDMN FC(F)(F)c1cc(C=NNc2cccc(Cl)n2)[nH]n1 ZINC000793163629 629495616 /nfs/dbraw/zinc/49/56/16/629495616.db2.gz MDBGKIUFCSSPHT-UHFFFAOYSA-N 0 1 289.648 2.923 20 30 CFEDMN FC(F)(F)c1cc(CN=Nc2cccc(Cl)n2)[nH]n1 ZINC000793163629 629495618 /nfs/dbraw/zinc/49/56/18/629495618.db2.gz MDBGKIUFCSSPHT-UHFFFAOYSA-N 0 1 289.648 2.923 20 30 CFEDMN C#CC[C@H](OC(=O)c1ccc2cncn2c1)C(C)C ZINC000793165131 629495794 /nfs/dbraw/zinc/49/57/94/629495794.db2.gz TYAHHNSNDOBJSZ-AWEZNQCLSA-N 0 1 256.305 2.539 20 30 CFEDMN CCc1cc(CNC(=O)C[C@H](CC#N)c2ccccc2)n[nH]1 ZINC000793499214 629556938 /nfs/dbraw/zinc/55/69/38/629556938.db2.gz PCHYZWUURYWAIZ-AWEZNQCLSA-N 0 1 296.374 2.676 20 30 CFEDMN CC[C@H](C)CN(C)Cn1cc2c(c(C#N)c1=O)CCCC2 ZINC000793496876 629557037 /nfs/dbraw/zinc/55/70/37/629557037.db2.gz GTUKRERDDNKGAN-ZDUSSCGKSA-N 0 1 287.407 2.534 20 30 CFEDMN C=CCCN(C)CN1CC[C@H](CCc2ccccc2)C1=O ZINC000793515651 629559262 /nfs/dbraw/zinc/55/92/62/629559262.db2.gz KHIREZFDMQDWNN-KRWDZBQOSA-N 0 1 286.419 2.933 20 30 CFEDMN C=CCCCS(=O)(=O)Nc1ccc2nc(C)[nH]c2c1 ZINC000794026377 629612052 /nfs/dbraw/zinc/61/20/52/629612052.db2.gz MHTJYGPHEJACNF-UHFFFAOYSA-N 0 1 279.365 2.579 20 30 CFEDMN CCC[C@@H](OC)C(=O)C(C#N)c1cnc2ccccc2n1 ZINC000835348038 629646842 /nfs/dbraw/zinc/64/68/42/629646842.db2.gz HYUUQOZDMFQGLU-XHDPSFHLSA-N 0 1 283.331 2.621 20 30 CFEDMN Fc1cccc(Br)c1C=NNc1cnccn1 ZINC000794489437 629650177 /nfs/dbraw/zinc/65/01/77/629650177.db2.gz WAZRMWNTESDJFI-UHFFFAOYSA-N 0 1 295.115 2.824 20 30 CFEDMN Cc1ccncc1C=NN=c1[nH]c2ccccc2n1C ZINC000794495616 629651253 /nfs/dbraw/zinc/65/12/53/629651253.db2.gz SOXVNMHUMFEYFN-UHFFFAOYSA-N 0 1 265.320 2.723 20 30 CFEDMN COCCCNN=C(C)c1[nH]c(-c2ccccc2)nc1C ZINC000794541081 629657493 /nfs/dbraw/zinc/65/74/93/629657493.db2.gz HGUFGCIDOINFPE-UHFFFAOYSA-N 0 1 286.379 2.735 20 30 CFEDMN CC(C)[C@H](NC[C@H](C#N)CCC#N)[C@H](O)c1ccccc1 ZINC000794611861 629668030 /nfs/dbraw/zinc/66/80/30/629668030.db2.gz MDTFLTOCSDOZBW-BHYGNILZSA-N 0 1 285.391 2.778 20 30 CFEDMN C#CCOc1ccccc1CN[C@@H]1CCCc2nn(C)cc21 ZINC000794808785 629688539 /nfs/dbraw/zinc/68/85/39/629688539.db2.gz CJSRCGZYGHHTAJ-MRXNPFEDSA-N 0 1 295.386 2.599 20 30 CFEDMN CC(=NNc1ncccc1C)c1cccc(N2CCC2=O)c1 ZINC000794939470 629707534 /nfs/dbraw/zinc/70/75/34/629707534.db2.gz JDYVEVAZLQVAFK-UHFFFAOYSA-N 0 1 294.358 2.963 20 30 CFEDMN Cc1cc(Br)ccc1C=NNc1cncnc1 ZINC000794972560 629712886 /nfs/dbraw/zinc/71/28/86/629712886.db2.gz OTCCVFWDGKGHHN-UHFFFAOYSA-N 0 1 291.152 2.994 20 30 CFEDMN CC(C)c1nc(C(C)N=Nc2cncnc2)cs1 ZINC000794973308 629712893 /nfs/dbraw/zinc/71/28/93/629712893.db2.gz SUNFCBYMFKZRMV-UHFFFAOYSA-N 0 1 261.354 2.893 20 30 CFEDMN CC(=NNc1cncnc1)c1cnn(-c2ccccc2)c1C ZINC000794976200 629713814 /nfs/dbraw/zinc/71/38/14/629713814.db2.gz GZZLOSUHUNYODS-UHFFFAOYSA-N 0 1 292.346 2.807 20 30 CFEDMN Cc1ccc(OC(F)F)c(C=NNc2cncnc2)c1 ZINC000794976465 629714532 /nfs/dbraw/zinc/71/45/32/629714532.db2.gz LAWFYYJESJWINF-UHFFFAOYSA-N 0 1 278.262 2.832 20 30 CFEDMN CC(=NNc1cncnc1)c1c(Cl)nc2ccccn21 ZINC000794979560 629715781 /nfs/dbraw/zinc/71/57/81/629715781.db2.gz ZKECZMIAHYFCLH-UHFFFAOYSA-N 0 1 286.726 2.614 20 30 CFEDMN Cc1nc(CN=Nc2ncccc2F)c2ccccn12 ZINC000794980123 629716123 /nfs/dbraw/zinc/71/61/23/629716123.db2.gz FGZDUDCUEBXYTL-UHFFFAOYSA-N 0 1 269.283 2.623 20 30 CFEDMN CN(C)c1ccc(C=[NH+][N-]c2ncccc2F)cc1 ZINC000794994421 629719732 /nfs/dbraw/zinc/71/97/32/629719732.db2.gz VSCNMQXUAAHANC-UHFFFAOYSA-N 0 1 258.300 2.733 20 30 CFEDMN Fc1cccc(N=NCc2cc(-n3ccnc3)cs2)n1 ZINC000795006443 629722980 /nfs/dbraw/zinc/72/29/80/629722980.db2.gz IRQVAKOTDCQPGQ-UHFFFAOYSA-N 0 1 287.323 2.914 20 30 CFEDMN Cc1nn(C(C)C)cc1C=NNc1cccc(F)n1 ZINC000795007184 629723034 /nfs/dbraw/zinc/72/30/34/629723034.db2.gz TZJGZSJLHPDURU-UHFFFAOYSA-N 0 1 261.304 2.753 20 30 CFEDMN N#Cc1ccc(CNc2cc[nH+]c3c([O-])cccc23)nc1 ZINC000795156592 629740382 /nfs/dbraw/zinc/74/03/82/629740382.db2.gz GWJNJJHQSAYIJH-UHFFFAOYSA-N 0 1 276.299 2.819 20 30 CFEDMN C#CCC1(C(=O)OCc2nc(C(C)C)n[nH]2)CCCCC1 ZINC000795533521 629795614 /nfs/dbraw/zinc/79/56/14/629795614.db2.gz XWMBOOROGUBBQL-UHFFFAOYSA-N 0 1 289.379 2.945 20 30 CFEDMN C#CCC1(C(=O)OCc2n[nH]c(C(C)C)n2)CCCCC1 ZINC000795533521 629795618 /nfs/dbraw/zinc/79/56/18/629795618.db2.gz XWMBOOROGUBBQL-UHFFFAOYSA-N 0 1 289.379 2.945 20 30 CFEDMN CCC#C[C@@H](C)N1CC2CC1(CNC(=O)OC(C)(C)C)C2 ZINC000852526928 634771240 /nfs/dbraw/zinc/77/12/40/634771240.db2.gz HQJCFTHKPXCWDS-TUBUQKNSSA-N 0 1 292.423 2.777 20 30 CFEDMN CCCCCCCN1CCOC[C@H]1[C@@H]1CCCO1 ZINC000796341119 629906235 /nfs/dbraw/zinc/90/62/35/629906235.db2.gz OWNSVFYDOHVBCP-GJZGRUSLSA-N 0 1 255.402 2.837 20 30 CFEDMN N#Cc1ccc(CNCc2ccc3occc3c2)nc1 ZINC000796360661 629908312 /nfs/dbraw/zinc/90/83/12/629908312.db2.gz YHBLEFFSFYTNEU-UHFFFAOYSA-N 0 1 263.300 2.989 20 30 CFEDMN N#CCOc1ccc(CN2CCC(F)(F)CC2)cc1 ZINC000796541305 629932672 /nfs/dbraw/zinc/93/26/72/629932672.db2.gz PWKABUNCAJAKLF-UHFFFAOYSA-N 0 1 266.291 2.820 20 30 CFEDMN CO[C@@H](C)CN(C)Cc1cc(Cl)ccc1OCC#N ZINC000796638885 629942312 /nfs/dbraw/zinc/94/23/12/629942312.db2.gz BQGPIIDJLZTOMU-NSHDSACASA-N 0 1 282.771 2.709 20 30 CFEDMN Cc1cc([C@H](C#N)C(=O)[C@H]2Cc3ccc(F)cc32)nc(C)n1 ZINC000796633611 629943015 /nfs/dbraw/zinc/94/30/15/629943015.db2.gz QPKPRCQHCSRKNW-GJZGRUSLSA-N 0 1 295.317 2.749 20 30 CFEDMN C#CCN(Cc1ccccc1)C[C@H](O)c1ccccc1F ZINC000796640027 629944311 /nfs/dbraw/zinc/94/43/11/629944311.db2.gz UNQVYFHNWVVIAN-SFHVURJKSA-N 0 1 283.346 2.995 20 30 CFEDMN CCCCCNC(=O)C(C#N)C(=O)CC1CC(C)(C)C1 ZINC000796742642 629958406 /nfs/dbraw/zinc/95/84/06/629958406.db2.gz VGBRPCFTMCHSCD-ZDUSSCGKSA-N 0 1 278.396 2.828 20 30 CFEDMN CCCCCNC(=O)C(C#N)C(=O)CC[C@@H](C)CC ZINC000796779953 629965237 /nfs/dbraw/zinc/96/52/37/629965237.db2.gz QLKQLVPUEOMGAE-STQMWFEESA-N 0 1 266.385 2.828 20 30 CFEDMN CC1(C)CC(C(=O)C(C#N)C(=O)Nc2ccccc2)C1 ZINC000796791672 629968413 /nfs/dbraw/zinc/96/84/13/629968413.db2.gz ZTZFUKJBJONWSJ-CYBMUJFWSA-N 0 1 270.332 2.770 20 30 CFEDMN N#C[C@H](C(=O)NC1CC1)C(=O)[C@@H]1CCC[C@H]2CCCC[C@H]21 ZINC000796792738 629968519 /nfs/dbraw/zinc/96/85/19/629968519.db2.gz INYJZYGXTFRKTK-NGFQHRJXSA-N 0 1 288.391 2.580 20 30 CFEDMN CC[C@@H](C)CCC(=O)C(C#N)C(=O)NC1CCCC1 ZINC000796799887 629968585 /nfs/dbraw/zinc/96/85/85/629968585.db2.gz BSHXHVBVWYZBDG-YPMHNXCESA-N 0 1 264.369 2.580 20 30 CFEDMN CC[C@H](C)CCC(=O)C(C#N)C(=O)NC1CCCC1 ZINC000796799873 629969159 /nfs/dbraw/zinc/96/91/59/629969159.db2.gz BSHXHVBVWYZBDG-AAEUAGOBSA-N 0 1 264.369 2.580 20 30 CFEDMN C=CCNC(=O)C(C#N)C(=O)[C@@H]1CCC[C@H]2CCCC[C@@H]21 ZINC000796796442 629969272 /nfs/dbraw/zinc/96/92/72/629969272.db2.gz DPOORFQHZZMQTJ-LXTVHRRPSA-N 0 1 288.391 2.604 20 30 CFEDMN CC[C@H](C)[C@H](OC)C(=O)C(C#N)c1cnc2ccccc2n1 ZINC000796900766 629986621 /nfs/dbraw/zinc/98/66/21/629986621.db2.gz QSTCZSMLPXCPHD-PRXAMGSTSA-N 0 1 297.358 2.867 20 30 CFEDMN Cc1cc(Br)cc(CNCC2(C#N)CC2)c1O ZINC000797605154 630088212 /nfs/dbraw/zinc/08/82/12/630088212.db2.gz JKIAPBHPNNWPPE-UHFFFAOYSA-N 0 1 295.180 2.857 20 30 CFEDMN N#C[C@H](C(=O)C[C@@H]1CCC(F)(F)C1)C(=O)NC1CCCC1 ZINC000797942410 630128138 /nfs/dbraw/zinc/12/81/38/630128138.db2.gz DXBNDLNWAQVOEA-CMPLNLGQSA-N 0 1 298.333 2.580 20 30 CFEDMN C#Cc1cncc(C(=O)Nc2cccc(Cl)c2O)c1 ZINC000798169616 630159126 /nfs/dbraw/zinc/15/91/26/630159126.db2.gz AXZZJRVQRFKTAO-UHFFFAOYSA-N 0 1 272.691 2.674 20 30 CFEDMN Cc1nccc(NCc2ccc(OCC#N)cc2)c1Cl ZINC000798391400 630185174 /nfs/dbraw/zinc/18/51/74/630185174.db2.gz FCRYAUMDTUNDES-UHFFFAOYSA-N 0 1 287.750 2.980 20 30 CFEDMN C#CCC[C@@H](O)CNc1ccnc2cc(F)ccc21 ZINC000798419336 630189752 /nfs/dbraw/zinc/18/97/52/630189752.db2.gz IITUHRVPJMDICO-GFCCVEGCSA-N 0 1 258.296 2.560 20 30 CFEDMN C#CCC[C@H](O)CNc1ccnc2cc(F)ccc21 ZINC000798419337 630190020 /nfs/dbraw/zinc/19/00/20/630190020.db2.gz IITUHRVPJMDICO-LBPRGKRZSA-N 0 1 258.296 2.560 20 30 CFEDMN C#CCN1CCC(C(=O)OC[C@@H](C)CC(C)C)CC1 ZINC000798617087 630215767 /nfs/dbraw/zinc/21/57/67/630215767.db2.gz WPBZMNQDCWRCJB-AWEZNQCLSA-N 0 1 265.397 2.557 20 30 CFEDMN N#CC(C(=O)Nc1ccccn1)C(=O)c1ccoc1C1CC1 ZINC000798817668 630241299 /nfs/dbraw/zinc/24/12/99/630241299.db2.gz DPPJOEVURAEJHG-GFCCVEGCSA-N 0 1 295.298 2.513 20 30 CFEDMN C=CCNC(=O)C(C#N)C(=O)CC1CC(c2ccccc2)C1 ZINC000798817150 630241648 /nfs/dbraw/zinc/24/16/48/630241648.db2.gz UHRWFBQHIRMONW-AVVWSFFYSA-N 0 1 296.370 2.581 20 30 CFEDMN Fc1cc(N=NC2CCCc3cccnc32)ccn1 ZINC000799113088 630276038 /nfs/dbraw/zinc/27/60/38/630276038.db2.gz HPYUQBLZTAXZFJ-UHFFFAOYSA-N 0 1 256.284 2.768 20 30 CFEDMN FC(F)(F)c1cc(C=NN=c2[nH]c3ccccc3[nH]2)[nH]n1 ZINC000799467776 630311833 /nfs/dbraw/zinc/31/18/33/630311833.db2.gz WNMPZTHRVYLMRC-UHFFFAOYSA-N 0 1 294.240 2.751 20 30 CFEDMN COc1cc(CN=Nc2ncccc2C)ccc1C#N ZINC000799485353 630313923 /nfs/dbraw/zinc/31/39/23/630313923.db2.gz KLEXNAUYLQRNKN-UHFFFAOYSA-N 0 1 266.304 2.716 20 30 CFEDMN COc1cccc(CN=Nc2cc(C)nc(C)n2)c1F ZINC000799875535 630350405 /nfs/dbraw/zinc/35/04/05/630350405.db2.gz GJJXGILTQTWXHK-UHFFFAOYSA-N 0 1 274.299 2.687 20 30 CFEDMN CC(=NNCCN1CCCCC1)c1cc(C)c(C)o1 ZINC000799876663 630350609 /nfs/dbraw/zinc/35/06/09/630350609.db2.gz WYLAYTUCACYFHP-UHFFFAOYSA-N 0 1 263.385 2.696 20 30 CFEDMN CCCCCCCCCN1CC[C@H](S(C)(=O)=O)C1 ZINC000800466698 630389088 /nfs/dbraw/zinc/38/90/88/630389088.db2.gz FLTQLPGZEVFEGD-AWEZNQCLSA-N 0 1 275.458 2.856 20 30 CFEDMN C[C@@H](C#N)OCCN[C@@H](C)c1c(F)cccc1F ZINC000801937530 630491390 /nfs/dbraw/zinc/49/13/90/630491390.db2.gz PHSGOYBPGULABG-UWVGGRQHSA-N 0 1 254.280 2.544 20 30 CFEDMN Cc1ccc([C@@H](NCCO[C@H](C)C#N)c2ccccn2)cc1 ZINC000801951109 630494483 /nfs/dbraw/zinc/49/44/83/630494483.db2.gz AMCFIURAAGYXQL-CRAIPNDOSA-N 0 1 295.386 2.998 20 30 CFEDMN CCCCCCCC(=O)OC[C@@H]1CN(C(C)C)CCO1 ZINC000802133724 630505974 /nfs/dbraw/zinc/50/59/74/630505974.db2.gz GAYDSAFJAZEXFZ-HNNXBMFYSA-N 0 1 285.428 2.999 20 30 CFEDMN C=CCN1CCN(CN2CCC(c3ccccc3)CC2)C1=O ZINC000839958812 630519191 /nfs/dbraw/zinc/51/91/91/630519191.db2.gz KROBNAQBTHBAIM-UHFFFAOYSA-N 0 1 299.418 2.747 20 30 CFEDMN C#CCN(CC#CC)Cc1ccc(C)cc1-c1cnn(C)c1 ZINC000802641466 630534683 /nfs/dbraw/zinc/53/46/83/630534683.db2.gz XCEQWEQGSYFFAM-UHFFFAOYSA-N 0 1 291.398 2.854 20 30 CFEDMN Cc1nn(-c2ccccn2)c(C)c1CN=Nc1ccccn1 ZINC000802705705 630539164 /nfs/dbraw/zinc/53/91/64/630539164.db2.gz POPUVLTXHWIINU-UHFFFAOYSA-N 0 1 292.346 2.725 20 30 CFEDMN CC(C)[C@@H](C(=O)OCC#Cc1cccc(Cl)c1)N(C)C ZINC000803492306 630622903 /nfs/dbraw/zinc/62/29/03/630622903.db2.gz CCAZAKJCWVJYIA-HNNXBMFYSA-N 0 1 293.794 2.821 20 30 CFEDMN CC(C)(C#N)C(=O)NCc1cc(Cl)cc(Cl)c1O ZINC000807839525 630912833 /nfs/dbraw/zinc/91/28/33/630912833.db2.gz GWJHOVPLMHDTKK-UHFFFAOYSA-N 0 1 287.146 2.865 20 30 CFEDMN CC(C)n1cc(C=NNc2ccc(C(F)(F)F)cn2)nn1 ZINC000807946614 630925177 /nfs/dbraw/zinc/92/51/77/630925177.db2.gz YGXCDHVJGNRIQB-UHFFFAOYSA-N 0 1 298.272 2.719 20 30 CFEDMN Cc1cc([N+](=O)[O-])ccc1NN=C1CCn2cccc21 ZINC000807990729 630932198 /nfs/dbraw/zinc/93/21/98/630932198.db2.gz FEHJYKUKYADLFD-UHFFFAOYSA-N 0 1 270.292 2.925 20 30 CFEDMN CC(=C[NH+]=Nc1nnc[n-]1)Cc1ccc(Cl)cc1 ZINC000807998043 630935736 /nfs/dbraw/zinc/93/57/36/630935736.db2.gz NCJALXLQZUCRSB-MQGDWYOTSA-N 0 1 261.716 2.959 20 30 CFEDMN CC(C)C[C@@H](C)CC(=O)C(C#N)C(=O)Nc1ccccn1 ZINC000102707923 630954052 /nfs/dbraw/zinc/95/40/52/630954052.db2.gz PLMJVDXVMZGHTC-CHWSQXEVSA-N 0 1 287.363 2.801 20 30 CFEDMN COc1ccc(CNCc2ccc(C#N)cn2)c(C)c1OC ZINC000808408575 630988751 /nfs/dbraw/zinc/98/87/51/630988751.db2.gz UIUVDXZBPWFRFZ-UHFFFAOYSA-N 0 1 297.358 2.569 20 30 CFEDMN CN(C)[C@@H](CNC(=O)C#CC(C)(C)C)c1cccs1 ZINC000837313260 630995310 /nfs/dbraw/zinc/99/53/10/630995310.db2.gz YIVGYUZAPMEKSM-LBPRGKRZSA-N 0 1 278.421 2.517 20 30 CFEDMN CN1CC[C@@H](NC(=O)C#CC(C)(C)C)[C@@H]1c1ccccc1 ZINC000837501242 631049314 /nfs/dbraw/zinc/04/93/14/631049314.db2.gz LUYRNVGULFDHED-WBVHZDCISA-N 0 1 284.403 2.598 20 30 CFEDMN CC1(CC(=O)[C@@H](C#N)C(=O)Nc2ccccn2)CCCC1 ZINC000808978195 631061571 /nfs/dbraw/zinc/06/15/71/631061571.db2.gz FYYINIUERCGLKI-GFCCVEGCSA-N 0 1 285.347 2.699 20 30 CFEDMN CCC(=O)c1ccc(O)c(NC(=O)C#CC(C)(C)C)c1 ZINC000837661965 631100670 /nfs/dbraw/zinc/10/06/70/631100670.db2.gz GRFWCTDONPAHRP-UHFFFAOYSA-N 0 1 273.332 2.973 20 30 CFEDMN C#Cc1ccc(CNCc2cccc3c2OCO3)cc1 ZINC000809425390 631225408 /nfs/dbraw/zinc/22/54/08/631225408.db2.gz YXUWRGKBOIRDEG-UHFFFAOYSA-N 0 1 265.312 2.686 20 30 CFEDMN C#Cc1ccc(CNc2cnn(-c3ccncc3)c2)cc1 ZINC000809633027 631251947 /nfs/dbraw/zinc/25/19/47/631251947.db2.gz AIWXGCBTCLVGJK-UHFFFAOYSA-N 0 1 274.327 2.861 20 30 CFEDMN C#Cc1ccc(CN[C@H](C[S@@](C)=O)c2ccccc2)cc1 ZINC000809635651 631252522 /nfs/dbraw/zinc/25/25/22/631252522.db2.gz JJASEWVNDQSQLG-WIYYLYMNSA-N 0 1 297.423 2.877 20 30 CFEDMN COc1ccc2c(c1)CCC[C@@H]2NCC1(C#N)CC1 ZINC000809658950 631258057 /nfs/dbraw/zinc/25/80/57/631258057.db2.gz BOJLDUACVXBABE-HNNXBMFYSA-N 0 1 256.349 2.966 20 30 CFEDMN C#C[C@@H](CC)NCc1ccc(NC(=O)OC(C)(C)C)nc1 ZINC000809685744 631262273 /nfs/dbraw/zinc/26/22/73/631262273.db2.gz OJVZCDZETLECDD-ZDUSSCGKSA-N 0 1 289.379 2.930 20 30 CFEDMN Cc1cc(N(C)C)ccc1CNCc1ccc(C#N)cn1 ZINC000840940451 631272709 /nfs/dbraw/zinc/27/27/09/631272709.db2.gz ZQWSRVBHNCVTGK-UHFFFAOYSA-N 0 1 280.375 2.618 20 30 CFEDMN C#CCN1CCC[C@H]1COC(=O)CCc1ccc(C)s1 ZINC000810572782 631394203 /nfs/dbraw/zinc/39/42/03/631394203.db2.gz GTUOPWJKQRMSRD-AWEZNQCLSA-N 0 1 291.416 2.630 20 30 CFEDMN CC1(C#N)CCN(C(=O)c2c(Cl)[nH]nc2C2CC2)CC1 ZINC000867288056 631565485 /nfs/dbraw/zinc/56/54/85/631565485.db2.gz NAQUTLZZDWCWKM-UHFFFAOYSA-N 0 1 292.770 2.706 20 30 CFEDMN C(=NNCCN1CCCCC1)c1ccc2[nH]ccc2c1 ZINC000811638990 631589890 /nfs/dbraw/zinc/58/98/90/631589890.db2.gz KTABPJBFLBQYMY-UHFFFAOYSA-N 0 1 270.380 2.577 20 30 CFEDMN COc1ccc(NN=C(C)c2ccc(OC)c(O)c2)nc1 ZINC000811647887 631592835 /nfs/dbraw/zinc/59/28/35/631592835.db2.gz AEEMRHWEENTGBV-UHFFFAOYSA-N 0 1 287.319 2.641 20 30 CFEDMN COCCCON=C1CCN(Cc2ccccc2)[C@@H]1C ZINC000811650295 631593616 /nfs/dbraw/zinc/59/36/16/631593616.db2.gz UNLQYJCDANIXPC-CQSZACIVSA-N 0 1 276.380 2.690 20 30 CFEDMN CO[C@@H](CC(C)C)C(=O)C(C#N)c1cnc2ccccc2n1 ZINC000842347217 631601028 /nfs/dbraw/zinc/60/10/28/631601028.db2.gz WUWLCYJINNJOTG-LRDDRELGSA-N 0 1 297.358 2.867 20 30 CFEDMN COc1ccc(O)c(C(=O)/C=C\c2nc(C#N)cs2)c1 ZINC000811694247 631606905 /nfs/dbraw/zinc/60/69/05/631606905.db2.gz UNVBGDMBVVHJPO-PLNGDYQASA-N 0 1 286.312 2.625 20 30 CFEDMN CC(C)CC(N=Nc1cnn(C)c1)c1ccncc1 ZINC000842531195 631654554 /nfs/dbraw/zinc/65/45/54/631654554.db2.gz HSYTYBNOLPSWIN-UHFFFAOYSA-N 0 1 257.341 2.677 20 30 CFEDMN CCCON=Cc1ccccc1N1CCO[C@H](C)C1 ZINC000842556194 631663632 /nfs/dbraw/zinc/66/36/32/631663632.db2.gz IRLUAWALQFWMKS-CYBMUJFWSA-N 0 1 262.353 2.672 20 30 CFEDMN Cn1cc(CN=Nc2cc(Cl)ccn2)c(C(F)F)n1 ZINC000812227367 631670437 /nfs/dbraw/zinc/67/04/37/631670437.db2.gz AMHVACFBOJNGRG-UHFFFAOYSA-N 0 1 285.685 2.852 20 30 CFEDMN C#CCON=C/C=C1/N(C)c2ccccc2C1(C)C ZINC000812234849 631673907 /nfs/dbraw/zinc/67/39/07/631673907.db2.gz YXJSHBZZFWKRKK-DUBOPECOSA-N 0 1 254.333 2.934 20 30 CFEDMN CC(C)OCCON=C1CN(Cc2ccccc2)C[C@H]1C ZINC000812239274 631676833 /nfs/dbraw/zinc/67/68/33/631676833.db2.gz PLLPOMQZULMZLG-OAHLLOKOSA-N 0 1 290.407 2.936 20 30 CFEDMN C#CC[C@H]1CCCN(Cn2c3cc(C)ccc3oc2=O)C1 ZINC000842628831 631686106 /nfs/dbraw/zinc/68/61/06/631686106.db2.gz HGIJIAFPOZXUBW-AWEZNQCLSA-N 0 1 284.359 2.596 20 30 CFEDMN C#CC1CCN(CN2C[C@@H](c3cccc(C)c3)CC2=O)CC1 ZINC000842633390 631687738 /nfs/dbraw/zinc/68/77/38/631687738.db2.gz GKYDAHNBWVODLD-SFHVURJKSA-N 0 1 296.414 2.614 20 30 CFEDMN C#CC1CCN(CN2C[C@@H](CC(C)(C)C)CC2=O)CC1 ZINC000842634225 631688105 /nfs/dbraw/zinc/68/81/05/631688105.db2.gz RDOAMAYBOKBVJA-OAHLLOKOSA-N 0 1 276.424 2.574 20 30 CFEDMN N#CC(C(=O)Nc1ccc(F)c(Cl)c1)C(=O)C1(F)CC1 ZINC000842684265 631706410 /nfs/dbraw/zinc/70/64/10/631706410.db2.gz AJJWFBWMMJOFQV-MRVPVSSYSA-N 0 1 298.676 2.629 20 30 CFEDMN C=CCNC(=O)C(C#N)C(=O)C[C@@H](C)CCC=C(C)C ZINC000842687511 631706735 /nfs/dbraw/zinc/70/67/35/631706735.db2.gz XNNXFVQOWUEDNA-UONOGXRCSA-N 0 1 276.380 2.770 20 30 CFEDMN C#Cc1ccc(C(=O)Nc2cc(C(=O)CC)ccc2O)nc1 ZINC000812709030 631762475 /nfs/dbraw/zinc/76/24/75/631762475.db2.gz WNCZVRSDWRMBCG-UHFFFAOYSA-N 0 1 294.310 2.614 20 30 CFEDMN C#C[C@H](NC(=O)c1[nH]nc2c1CCCC2)c1ccc(F)cc1 ZINC000812747521 631766797 /nfs/dbraw/zinc/76/67/97/631766797.db2.gz CCMOMVQWBKRHAH-AWEZNQCLSA-N 0 1 297.333 2.532 20 30 CFEDMN C#CCONC(=O)[C@H](C)c1ccc2ccccc2c1 ZINC000812784673 631774381 /nfs/dbraw/zinc/77/43/81/631774381.db2.gz BRHLADGHDRZUHS-GFCCVEGCSA-N 0 1 253.301 2.624 20 30 CFEDMN CC(C)(C(=O)NOC1CCC1)c1cc(F)cc(C#N)c1 ZINC000812788778 631776433 /nfs/dbraw/zinc/77/64/33/631776433.db2.gz ZXMCDBUKKPJDJW-UHFFFAOYSA-N 0 1 276.311 2.575 20 30 CFEDMN N#CC(C(=O)C=Cc1ccncn1)c1nc(C2CC2)cs1 ZINC000842946553 631790357 /nfs/dbraw/zinc/79/03/57/631790357.db2.gz WCODPIOAJRKGBJ-AAOUONPWSA-N 0 1 296.355 2.700 20 30 CFEDMN CC1(C)[C@H](O)CCN1Cc1cc(Cl)ccc1OCC#N ZINC000812869413 631799904 /nfs/dbraw/zinc/79/99/04/631799904.db2.gz ZMGCJSSYNHTYNC-CQSZACIVSA-N 0 1 294.782 2.588 20 30 CFEDMN C#Cc1cccc(NC(=O)N2CCN(C3CCCC3)CC2)c1 ZINC000043984683 650032126 /nfs/dbraw/zinc/03/21/26/650032126.db2.gz CNRGIWOCCLOTCM-UHFFFAOYSA-N 0 1 297.402 2.760 20 30 CFEDMN C#CCN(CC(=O)N[C@@H]1CCCC[C@@H]1C)C1CCCC1 ZINC000155784410 650031623 /nfs/dbraw/zinc/03/16/23/650031623.db2.gz AXRCSLDBVTXJBF-GOEBONIOSA-N 0 1 276.424 2.559 20 30 CFEDMN CCC[C@@H]1C[C@H]1C(=O)C(C#N)C(=O)NCc1cccc(C)c1 ZINC000813089239 631831327 /nfs/dbraw/zinc/83/13/27/631831327.db2.gz PRIKCIKRGWNENO-OAGGEKHMSA-N 0 1 298.386 2.756 20 30 CFEDMN CO[C@@](C)(C(=O)C(C#N)c1cnc2ccccc2n1)C1CC1 ZINC000813090952 631832332 /nfs/dbraw/zinc/83/23/32/631832332.db2.gz TWITYSVECZNGKG-SJKOYZFVSA-N 0 1 295.342 2.621 20 30 CFEDMN C[C@H](C[C@@H](O)c1ccccc1)NC[C@@H](C#N)CCC#N ZINC000843094496 631834054 /nfs/dbraw/zinc/83/40/54/631834054.db2.gz UKYSZDZJJDPYLJ-IIAWOOMASA-N 0 1 271.364 2.532 20 30 CFEDMN C=CCOc1ccccc1-c1nc([C@H](N)C(C)C)no1 ZINC000843152996 631866167 /nfs/dbraw/zinc/86/61/67/631866167.db2.gz KFRMMNRWYACRHT-CYBMUJFWSA-N 0 1 273.336 2.957 20 30 CFEDMN N#C[C@H](C(=O)[C@@H]1CCCOC1)c1cc(C(F)(F)F)ccn1 ZINC000813218098 631883038 /nfs/dbraw/zinc/88/30/38/631883038.db2.gz MBGMCIWGMGRNHK-KOLCDFICSA-N 0 1 298.264 2.703 20 30 CFEDMN C[C@@H](C[C@@H](O)c1ccco1)NCc1cccc(F)c1C#N ZINC000813337811 631907631 /nfs/dbraw/zinc/90/76/31/631907631.db2.gz VBBVBVDDUKBIEP-XHDPSFHLSA-N 0 1 288.322 2.892 20 30 CFEDMN CCCCCC[C@](C)(CC)C(=O)N[C@@H]1CNC[C@@H]1C#N ZINC000843460836 631964091 /nfs/dbraw/zinc/96/40/91/631964091.db2.gz QXRCBFOREUNGTF-LZWOXQAQSA-N 0 1 279.428 2.601 20 30 CFEDMN C=CC[C@@H](NCc1cnn(CC(F)F)c1)c1ccncc1 ZINC000814293484 632050693 /nfs/dbraw/zinc/05/06/93/632050693.db2.gz IJHPRQNPSPWAOC-CQSZACIVSA-N 0 1 292.333 2.950 20 30 CFEDMN C#CC1CCN(C(=O)c2cc(-c3ccc(C)cc3)[nH]n2)CC1 ZINC000844048880 632103455 /nfs/dbraw/zinc/10/34/55/632103455.db2.gz SSAQHZWOONJNFG-UHFFFAOYSA-N 0 1 293.370 2.871 20 30 CFEDMN FC(F)(F)[C@@H]1CC(N=Nc2ccccn2)CCO1 ZINC000814731948 632115437 /nfs/dbraw/zinc/11/54/37/632115437.db2.gz QIVALNUUURQKHH-VIFPVBQESA-N 0 1 259.231 2.591 20 30 CFEDMN C(=NN=c1cccc[nH]1)c1nc2c(s1)CCCC2 ZINC000814732051 632115466 /nfs/dbraw/zinc/11/54/66/632115466.db2.gz VNJKHDRFACPUEH-UHFFFAOYSA-N 0 1 258.350 2.863 20 30 CFEDMN Cn1ncc(CN=Nc2nc(-c3ccccc3)cs2)c1N ZINC000814769807 632120959 /nfs/dbraw/zinc/12/09/59/632120959.db2.gz WEWVNEUWVMLBGJ-UHFFFAOYSA-N 0 1 298.375 2.572 20 30 CFEDMN Fc1cc2c(c(F)c1)C(=NNc1cncc(Cl)n1)CO2 ZINC000814797332 632126180 /nfs/dbraw/zinc/12/61/80/632126180.db2.gz GMJTVRUBJDXMIZ-UHFFFAOYSA-N 0 1 296.664 2.617 20 30 CFEDMN C(CN1CCCCC1)NN=C1CCCC[C@@H]1[C@H]1CCOC1 ZINC000814809005 632129638 /nfs/dbraw/zinc/12/96/38/632129638.db2.gz WMMITDRCNVJNMH-JKSUJKDBSA-N 0 1 293.455 2.645 20 30 CFEDMN C=C(Br)CNCc1cccc(OCC)c1O ZINC000105453481 632135602 /nfs/dbraw/zinc/13/56/02/632135602.db2.gz CJJHHCJSFSBWEH-UHFFFAOYSA-N 0 1 286.169 2.789 20 30 CFEDMN Cc1ccc(NN=C2COc3cccc(Cl)c32)nn1 ZINC000814840988 632136300 /nfs/dbraw/zinc/13/63/00/632136300.db2.gz WYCVPMCMGAUOFY-UHFFFAOYSA-N 0 1 274.711 2.647 20 30 CFEDMN c1ccc2c(c1)OCC2N=Nc1cnnc2ccccc12 ZINC000814849514 632137890 /nfs/dbraw/zinc/13/78/90/632137890.db2.gz YPVDEOSRCJWAAL-UHFFFAOYSA-N 0 1 276.299 2.838 20 30 CFEDMN COc1cccc([N-][NH+]=C2CCCc3ccc(N)cc32)n1 ZINC000814900308 632155284 /nfs/dbraw/zinc/15/52/84/632155284.db2.gz MSQMIUAHTWUUKI-UHFFFAOYSA-N 0 1 282.347 2.825 20 30 CFEDMN COc1cccc(NN=C2CCCc3occc32)n1 ZINC000814900585 632155855 /nfs/dbraw/zinc/15/58/55/632155855.db2.gz ZLEOLYBABBFUNP-UHFFFAOYSA-N 0 1 257.293 2.836 20 30 CFEDMN c1cc2c3c(c1)C(=NOC1CCOCC1)CC[C@@H]3CN2 ZINC000814906544 632157961 /nfs/dbraw/zinc/15/79/61/632157961.db2.gz ZLNMTCOLPVSMQC-LLVKDONJSA-N 0 1 272.348 2.889 20 30 CFEDMN c1cc2c3c(c1)C(=NOC[C@H]1CCOC1)CC[C@@H]3CN2 ZINC000814912109 632161566 /nfs/dbraw/zinc/16/15/66/632161566.db2.gz JNZUUBFBTMQFHP-NWDGAFQWSA-N 0 1 272.348 2.747 20 30 CFEDMN Cc1c2ccccc2n(C)c1CN=Nc1cnn(C)c1 ZINC000814915331 632163460 /nfs/dbraw/zinc/16/34/60/632163460.db2.gz TYFAHEJBLSSSOQ-UHFFFAOYSA-N 0 1 267.336 2.666 20 30 CFEDMN c1cc2c3c(c1)C(=NN[C@H]1CCSC1)CC[C@H]3CN2 ZINC000814933037 632171249 /nfs/dbraw/zinc/17/12/49/632171249.db2.gz BRPFMHWVKHTUEF-QWRGUYRKSA-N 0 1 273.405 2.789 20 30 CFEDMN CCn1ccnc1C=NNc1ccc(F)c(F)c1F ZINC000814945557 632176908 /nfs/dbraw/zinc/17/69/08/632176908.db2.gz FKDDQUCMDARMTR-UHFFFAOYSA-N 0 1 268.242 2.766 20 30 CFEDMN Oc1ccc(CN=Nc2ccc(F)c(F)c2F)nc1 ZINC000814946731 632178179 /nfs/dbraw/zinc/17/81/79/632178179.db2.gz VWYXHFKTPPKCKX-UHFFFAOYSA-N 0 1 267.210 2.651 20 30 CFEDMN Cc1c(N=NC2C[C@H](C)[N@H+](C3CC3)C2)cccc1C(=O)[O-] ZINC000844622708 632267082 /nfs/dbraw/zinc/26/70/82/632267082.db2.gz BXEHWTBYFCAVTC-JTQLQIEISA-N 0 1 287.363 2.718 20 30 CFEDMN C=C[C@H](C)ON=Cc1ccccc1N1CCO[C@H](C)C1 ZINC000844625558 632268566 /nfs/dbraw/zinc/26/85/66/632268566.db2.gz RZPSFAFRPPYLGD-UONOGXRCSA-N 0 1 274.364 2.837 20 30 CFEDMN C#CCCCCCC(=O)N1[C@H](C)CN(C)[C@@H](C)[C@@H]1C ZINC000844642027 632272511 /nfs/dbraw/zinc/27/25/11/632272511.db2.gz GOGNDHBLKXOXTJ-ILXRZTDVSA-N 0 1 264.413 2.510 20 30 CFEDMN C=CCC(F)(F)C(=O)Nc1cccc(-c2nnc[nH]2)c1 ZINC000815605603 632296475 /nfs/dbraw/zinc/29/64/75/632296475.db2.gz ZSBNSJNZVPGPPW-UHFFFAOYSA-N 0 1 278.262 2.622 20 30 CFEDMN N#CC(C(=O)Nc1ccccn1)C(=O)[C@@H]1CC2CCC1CC2 ZINC000815915447 632333280 /nfs/dbraw/zinc/33/32/80/632333280.db2.gz OWVATDMFOBOIQR-PQAZSJQKSA-N 0 1 297.358 2.555 20 30 CFEDMN C/C=C(\C)C(=O)NC1CCN(Cc2cccc(C#N)c2)CC1 ZINC000845003115 632355062 /nfs/dbraw/zinc/35/50/62/632355062.db2.gz QRJHKZXSAKYVIR-LZWSPWQCSA-N 0 1 297.402 2.605 20 30 CFEDMN CC[C@@H](CC(=O)C(C#N)C(=O)Nc1ccccn1)C(C)C ZINC000105759819 632363489 /nfs/dbraw/zinc/36/34/89/632363489.db2.gz HFMFURZZIRJQNP-STQMWFEESA-N 0 1 287.363 2.801 20 30 CFEDMN COCC(C)=CC(=O)[C@H](C#N)c1nc2cccc(C)c2[nH]1 ZINC000845473400 632442302 /nfs/dbraw/zinc/44/23/02/632442302.db2.gz INPXFZKFYWECQB-PMDBQALLSA-N 0 1 283.331 2.640 20 30 CFEDMN CC[C@@H](C#N)C(=O)N[C@@H](C)c1nc2ccc(Cl)cc2[nH]1 ZINC000845490094 632447232 /nfs/dbraw/zinc/44/72/32/632447232.db2.gz KPPYKFAIVWAHQI-IUCAKERBSA-N 0 1 290.754 2.943 20 30 CFEDMN C=CC[C@H](CO)[NH2+]Cc1ccc2ccccc2c1[O-] ZINC000816569175 632487775 /nfs/dbraw/zinc/48/77/75/632487775.db2.gz BMJBTOWAKLGIFR-CQSZACIVSA-N 0 1 257.333 2.572 20 30 CFEDMN C#Cc1cccc(NC(=O)[C@H]2C[C@H](C)Cc3cn[nH]c32)c1 ZINC000816838437 632529158 /nfs/dbraw/zinc/52/91/58/632529158.db2.gz BGHCYAYYQVSNSS-ABAIWWIYSA-N 0 1 279.343 2.696 20 30 CFEDMN C#CCC(C)(C)C(=O)Nc1nc2ccc(C)cc2[nH]1 ZINC000817017951 632546384 /nfs/dbraw/zinc/54/63/84/632546384.db2.gz IEPHSUMVZODEFN-UHFFFAOYSA-N 0 1 255.321 2.859 20 30 CFEDMN N#CC(C(=O)[C@@H]1CCSC1)=C(O)C1(c2ccccc2)CC1 ZINC000845840417 632578112 /nfs/dbraw/zinc/57/81/12/632578112.db2.gz BHJVPOPFEWXRAC-OCCSQVGLSA-N 0 1 299.395 2.749 20 30 CFEDMN N#CC(C(=O)[C@H]1CCSC1)=C(O)C1(c2ccccc2)CC1 ZINC000845840413 632578407 /nfs/dbraw/zinc/57/84/07/632578407.db2.gz BHJVPOPFEWXRAC-GXTWGEPZSA-N 0 1 299.395 2.749 20 30 CFEDMN O[C@@H]1CCC[C@H]1NN=C(Cc1ccccc1)C(F)(F)F ZINC000817335029 632606491 /nfs/dbraw/zinc/60/64/91/632606491.db2.gz VPDNIEPVPITIFA-VXGBXAGGSA-N 0 1 286.297 2.650 20 30 CFEDMN C=CC[N@@H+](CC(=O)[O-])Cc1c(C)cc(C)c(C(C)=O)c1C ZINC000846264598 632678112 /nfs/dbraw/zinc/67/81/12/632678112.db2.gz LJSVRKVMUJZWRY-UHFFFAOYSA-N 0 1 289.375 2.887 20 30 CFEDMN N#CC(C(=O)Nc1ccc(Cl)cc1)C(=O)[C@H]1CC12CC2 ZINC000817714347 632690404 /nfs/dbraw/zinc/69/04/04/632690404.db2.gz QTBNTBMJRSIOPP-VXGBXAGGSA-N 0 1 288.734 2.787 20 30 CFEDMN CC#CC(=O)N1C[C@H](C)N(Cc2ccccc2)[C@@H](C)[C@H]1C ZINC000846344861 632693593 /nfs/dbraw/zinc/69/35/93/632693593.db2.gz DEIFTWQQEADVCP-HRCADAONSA-N 0 1 284.403 2.520 20 30 CFEDMN C=C(C)CONC(=O)[C@@H](CC)c1ccc(F)cc1 ZINC000846536111 632725615 /nfs/dbraw/zinc/72/56/15/632725615.db2.gz TYUDBHAVVAJWIX-ZDUSSCGKSA-N 0 1 251.301 2.943 20 30 CFEDMN C=C(C)CONC(=O)Cc1nc(-c2ccsc2)oc1C ZINC000846538116 632727542 /nfs/dbraw/zinc/72/75/42/632727542.db2.gz FNXULVFQOFWUEF-UHFFFAOYSA-N 0 1 292.360 2.878 20 30 CFEDMN C=C(C)CONC(=O)C(C)(C)c1cccc(F)c1 ZINC000846538028 632727789 /nfs/dbraw/zinc/72/77/89/632727789.db2.gz RNHZKZJTHUCDMW-UHFFFAOYSA-N 0 1 251.301 2.727 20 30 CFEDMN C=C[C@H](C)ONC(=O)[C@H]1CCc2c1cccc2Cl ZINC000846547094 632735559 /nfs/dbraw/zinc/73/55/59/632735559.db2.gz AYURZGUXLJKOLM-CABZTGNLSA-N 0 1 265.740 2.992 20 30 CFEDMN C=C[C@H](C)ONC(=O)[C@@H](CC)c1ccc(OC)cc1 ZINC000846548154 632736351 /nfs/dbraw/zinc/73/63/51/632736351.db2.gz IBSQHPPVCXOPQO-FZMZJTMJSA-N 0 1 263.337 2.811 20 30 CFEDMN C=CCn1cc(CN[C@H](CC)c2ccc(C)cc2O)nn1 ZINC000818347567 632836505 /nfs/dbraw/zinc/83/65/05/632836505.db2.gz RZZWJHAIVUGYDS-OAHLLOKOSA-N 0 1 286.379 2.719 20 30 CFEDMN CCCCCCCCCN1CCN(C(=O)CC#N)CC1 ZINC000846955641 632858891 /nfs/dbraw/zinc/85/88/91/632858891.db2.gz LZXXCJQAMYJYOX-UHFFFAOYSA-N 0 1 279.428 2.795 20 30 CFEDMN C#C[C@H]1CCCN(C[C@@H](O)c2ccc(F)cc2Cl)C1 ZINC000847020957 632885069 /nfs/dbraw/zinc/88/50/69/632885069.db2.gz GXLDQXKZUWEWCR-XHDPSFHLSA-N 0 1 281.758 2.858 20 30 CFEDMN C#C[C@H]1CCCN(CC(=O)N(Cc2ccccc2)C(C)C)C1 ZINC000847031836 632896330 /nfs/dbraw/zinc/89/63/30/632896330.db2.gz VBSSMIBGPOLBSK-KRWDZBQOSA-N 0 1 298.430 2.769 20 30 CFEDMN N#CC1(CNC[C@H](O)c2cccc(Cl)c2)CCC1 ZINC000819377879 633140776 /nfs/dbraw/zinc/14/07/76/633140776.db2.gz ROLYPPYHCOVWKF-ZDUSSCGKSA-N 0 1 264.756 2.657 20 30 CFEDMN C=CCC1(C(=O)Nc2cc(C#N)ccc2O)CCOCC1 ZINC000819433392 633161144 /nfs/dbraw/zinc/16/11/44/633161144.db2.gz NCMZSZAEIRBNQE-UHFFFAOYSA-N 0 1 286.331 2.575 20 30 CFEDMN CON=Cc1ccc(C(=O)OCc2cc(C3CC3)[nH]n2)cc1 ZINC000848015467 633187347 /nfs/dbraw/zinc/18/73/47/633187347.db2.gz LZZNOCDYZLDUQV-UHFFFAOYSA-N 0 1 299.330 2.624 20 30 CFEDMN C#CC1CCN(Cc2ccnn2CCc2ccccc2)CC1 ZINC000857049800 635918461 /nfs/dbraw/zinc/91/84/61/635918461.db2.gz ULQLJRQDPOPXMK-UHFFFAOYSA-N 0 1 293.414 2.971 20 30 CFEDMN C=C[C@@H](C)ONC(=O)[C@@H]1CCCc2ccc(OC)cc21 ZINC000848245247 633223105 /nfs/dbraw/zinc/22/31/05/633223105.db2.gz JTHOGARNWDWGHL-BXUZGUMPSA-N 0 1 275.348 2.737 20 30 CFEDMN C#C[C@@H]1CCCN(C(=O)c2ccc(CN(CC)CC)o2)C1 ZINC000848286004 633233064 /nfs/dbraw/zinc/23/30/64/633233064.db2.gz YNUPCMUXHAYHOL-CQSZACIVSA-N 0 1 288.391 2.607 20 30 CFEDMN C#C[C@@H]1CCCN(C(=O)c2cc(-c3ccccc3)[nH]n2)C1 ZINC000848290046 633234412 /nfs/dbraw/zinc/23/44/12/633234412.db2.gz YDVSBUCTXRAQBU-CYBMUJFWSA-N 0 1 279.343 2.562 20 30 CFEDMN C#C[C@@H]1CCCN(C(=O)c2cc(-c3ccc(C)cc3)[nH]n2)C1 ZINC000848291032 633235299 /nfs/dbraw/zinc/23/52/99/633235299.db2.gz VDDUKUXTHMZGOG-CQSZACIVSA-N 0 1 293.370 2.871 20 30 CFEDMN C(=NN=c1nc[nH]c2sccc21)c1cc2n(n1)CCCC2 ZINC000848401846 633249343 /nfs/dbraw/zinc/24/93/43/633249343.db2.gz LRQFOEBMCFXMJN-UHFFFAOYSA-N 0 1 298.375 2.670 20 30 CFEDMN C#C[C@H]1CCC[N@@H+](Cc2c([O-])ccc3ccncc32)C1 ZINC000848494596 633266911 /nfs/dbraw/zinc/26/69/11/633266911.db2.gz YDAOLPCDYRLHGJ-ZDUSSCGKSA-N 0 1 266.344 2.786 20 30 CFEDMN C#C[C@H]1CCC[N@H+](Cc2c([O-])ccc3ccncc32)C1 ZINC000848494596 633266918 /nfs/dbraw/zinc/26/69/18/633266918.db2.gz YDAOLPCDYRLHGJ-ZDUSSCGKSA-N 0 1 266.344 2.786 20 30 CFEDMN O=C(/C=C\c1cc2n(n1)CCCC2)c1ccc(O)c(F)c1 ZINC000848640039 633306727 /nfs/dbraw/zinc/30/67/27/633306727.db2.gz HBVOSGKJRVWISP-ALCCZGGFSA-N 0 1 286.306 2.960 20 30 CFEDMN C#CC[C@@H]1CCC[N@H+](Cc2csc(C(=O)[O-])c2)C1 ZINC000849344068 633622111 /nfs/dbraw/zinc/62/21/11/633622111.db2.gz AXHPTHCBACDUNF-LLVKDONJSA-N 0 1 263.362 2.682 20 30 CFEDMN C=C[C@@](C)(CC)C(=O)O[C@H](C)c1n[nH]c(CC)n1 ZINC000849762549 633708210 /nfs/dbraw/zinc/70/82/10/633708210.db2.gz MOZBVXDHJQEZCN-RNCFNFMXSA-N 0 1 251.330 2.574 20 30 CFEDMN C#C[C@H](NCc1cc2c(cccc2C)[nH]1)[C@H]1CCCO1 ZINC000850250994 633912812 /nfs/dbraw/zinc/91/28/12/633912812.db2.gz JFSHBXSUUFLPEX-DOTOQJQBSA-N 0 1 268.360 2.747 20 30 CFEDMN CCOC1(C(=O)C(C#N)c2nc(C)cs2)CCC1 ZINC000850737585 634068924 /nfs/dbraw/zinc/06/89/24/634068924.db2.gz YBFGGJSDNUYJLR-SNVBAGLBSA-N 0 1 264.350 2.587 20 30 CFEDMN Cc1cc(C(C#N)C(=O)[C@H]2CCC2(C)C)nc(C)n1 ZINC000850755788 634080409 /nfs/dbraw/zinc/08/04/09/634080409.db2.gz LFECCGYMMGESLA-NWDGAFQWSA-N 0 1 257.337 2.706 20 30 CFEDMN Cc1cc(C(C#N)C(=O)[C@H](C)Cc2ccco2)nc(C)n1 ZINC000850756343 634081949 /nfs/dbraw/zinc/08/19/49/634081949.db2.gz RCZYFXLXHUBVGV-YGRLFVJLSA-N 0 1 283.331 2.742 20 30 CFEDMN CCOC1(C(=O)C(C#N)c2cnc3ccccc3n2)CCC1 ZINC000850987320 634168073 /nfs/dbraw/zinc/16/80/73/634168073.db2.gz ZUVDKQOZWHTTKZ-GFCCVEGCSA-N 0 1 295.342 2.765 20 30 CFEDMN CC(N=Nc1ncnc2sc3c(c21)CCC3)c1cnc[nH]1 ZINC000853266911 634955464 /nfs/dbraw/zinc/95/54/64/634955464.db2.gz BUBFMPBWTHALPK-UHFFFAOYSA-N 0 1 298.375 2.739 20 30 CFEDMN Fc1cc(F)c(N=NCc2cn(C3CCC3)nn2)cc1F ZINC000853307774 634964740 /nfs/dbraw/zinc/96/47/40/634964740.db2.gz RCIZYTKWQUGBQM-UHFFFAOYSA-N 0 1 295.268 2.866 20 30 CFEDMN CC[C@H](C)CON=Cc1ccnn1-c1ccncc1 ZINC000853350595 634980339 /nfs/dbraw/zinc/98/03/39/634980339.db2.gz VLZWTCUAGMUHSP-LBPRGKRZSA-N 0 1 258.325 2.664 20 30 CFEDMN C[C@H](NN=Cc1ccnn1-c1ccncc1)C(C)(C)C ZINC000853350894 634980383 /nfs/dbraw/zinc/98/03/83/634980383.db2.gz YGMJAIMSCXCOQY-LBPRGKRZSA-N 0 1 271.368 2.625 20 30 CFEDMN Cn1nncc1NN=Cc1cccc(C2CCCC2)c1 ZINC000853351948 634980499 /nfs/dbraw/zinc/98/04/99/634980499.db2.gz ATPIQCXFWCQLCV-UHFFFAOYSA-N 0 1 269.352 2.919 20 30 CFEDMN C[C@H]1CCCCN1N=Cc1cc(C(F)(F)F)n[nH]1 ZINC000853381578 634988905 /nfs/dbraw/zinc/98/89/05/634988905.db2.gz GVDCIOWZFJHAIP-QMMMGPOBSA-N 0 1 260.263 2.637 20 30 CFEDMN C[C@@H]1CC(N=Nc2cc(F)cc(Cl)c2)CN1C ZINC000853397096 634993988 /nfs/dbraw/zinc/99/39/88/634993988.db2.gz WDZGIPZMDBMFFS-MRVPVSSYSA-N 0 1 255.724 2.971 20 30 CFEDMN CC(C)n1cc(C=NNc2ccc(Cl)cn2)cn1 ZINC000853437919 635000000 /nfs/dbraw/zinc/00/00/00/635000000.db2.gz WPFKGHKMRWRNTG-UHFFFAOYSA-N 0 1 263.732 2.958 20 30 CFEDMN C=C1C[C@H]2CC[C@@H](C1)N2CN1C(=O)C[C@@](C)(C(C)C)C1=O ZINC000853598861 635046124 /nfs/dbraw/zinc/04/61/24/635046124.db2.gz XLEJINOQEHEQBI-VBQJREDUSA-N 0 1 290.407 2.548 20 30 CFEDMN C#Cc1ccc(NC(=O)[C@@H](C(C)C)N(C)C)c(Cl)c1 ZINC000885671587 635245713 /nfs/dbraw/zinc/24/57/13/635245713.db2.gz PMNVYFLGWLSXFN-CQSZACIVSA-N 0 1 278.783 2.846 20 30 CFEDMN C#C[C@@H]1CCCN(C(=O)c2cc(CCCCC)[nH]n2)C1 ZINC000855048221 635450138 /nfs/dbraw/zinc/45/01/38/635450138.db2.gz RLBZZUQZCUMXAL-CYBMUJFWSA-N 0 1 273.380 2.628 20 30 CFEDMN C#CCN1CCC[C@H]1COC(=O)/C=C(\C)c1cccs1 ZINC000857011637 635904257 /nfs/dbraw/zinc/90/42/57/635904257.db2.gz WUBSELIZNHNBAF-CMPYXILNSA-N 0 1 289.400 2.792 20 30 CFEDMN Cc1ccc(O[C@@H]2CCN(Cc3cccc(C#N)c3)C2)nc1 ZINC000858011628 636114320 /nfs/dbraw/zinc/11/43/20/636114320.db2.gz QDTKKOKHMFBTKN-QGZVFWFLSA-N 0 1 293.370 2.915 20 30 CFEDMN C=CCN1CCC[C@@H](Oc2ccc(C3CC3)cn2)C1 ZINC000858013734 636115475 /nfs/dbraw/zinc/11/54/75/636115475.db2.gz KVGPOTLJEKNKFE-OAHLLOKOSA-N 0 1 258.365 2.988 20 30 CFEDMN CCC#C[C@H](C)N1CC[C@H](Oc2ccc(C)cn2)C1 ZINC000858040258 636117553 /nfs/dbraw/zinc/11/75/53/636117553.db2.gz CQNRSHIIBGQBEC-GJZGRUSLSA-N 0 1 258.365 2.645 20 30 CFEDMN C[C@H](NCc1ccnc(F)c1)c1ccc(OCC#N)cc1 ZINC000858130393 636135808 /nfs/dbraw/zinc/13/58/08/636135808.db2.gz JOLOQTGKYZNTMS-LBPRGKRZSA-N 0 1 285.322 2.974 20 30 CFEDMN CC(C)C(=O)CCN1CCc2c(CC#N)cccc2C1 ZINC000860108497 636790477 /nfs/dbraw/zinc/79/04/77/636790477.db2.gz CNXLRAFHHKHCMO-UHFFFAOYSA-N 0 1 270.376 2.726 20 30 CFEDMN CCO[C@@H](C(=O)C(C#N)c1nc(C)cs1)C(C)C ZINC000860450058 636886741 /nfs/dbraw/zinc/88/67/41/636886741.db2.gz LOYQPBBTEVBYDA-CMPLNLGQSA-N 0 1 266.366 2.689 20 30 CFEDMN N#CC(C(=O)NC1CC1)C(=O)[C@@H]1CC[C@@H](c2ccccc2)C1 ZINC000860473819 636892360 /nfs/dbraw/zinc/89/23/60/636892360.db2.gz SIRPTZMZJXXYFP-FMKPAKJESA-N 0 1 296.370 2.558 20 30 CFEDMN CCO[C@H](C(=O)[C@@H](C#N)c1nc2cccc(C)c2[nH]1)C1CC1 ZINC000860555904 636910037 /nfs/dbraw/zinc/91/00/37/636910037.db2.gz LGGXGBURBPGTMW-WBMJQRKESA-N 0 1 297.358 2.863 20 30 CFEDMN CCO[C@H](C(=O)C(C#N)c1cnc2ccccc2n1)C(C)C ZINC000860701400 636949971 /nfs/dbraw/zinc/94/99/71/636949971.db2.gz ADYAGKHGQAFFND-PXAZEXFGSA-N 0 1 297.358 2.867 20 30 CFEDMN CCC(C#N)(CC)C(=O)OCc1cc(C2CC2)[nH]n1 ZINC000860865848 636995219 /nfs/dbraw/zinc/99/52/19/636995219.db2.gz QSRLCSASSGDQBF-UHFFFAOYSA-N 0 1 261.325 2.660 20 30 CFEDMN C[C@H]1CCCCN1CC(N)=NOCc1ccc(F)c(F)c1 ZINC000117868784 637028975 /nfs/dbraw/zinc/02/89/75/637028975.db2.gz AXMGGTQXJUHBCK-NSHDSACASA-N 0 1 297.349 2.628 20 30 CFEDMN CCCCCCCNC(=O)Cc1n[nH]c2c1CCCC2 ZINC000862357537 637331643 /nfs/dbraw/zinc/33/16/43/637331643.db2.gz XMUSKDJATVWSRD-UHFFFAOYSA-N 0 1 277.412 2.918 20 30 CFEDMN CCCCCCCNC(=O)c1ccc2[nH]nnc2c1 ZINC000862359681 637333820 /nfs/dbraw/zinc/33/38/20/637333820.db2.gz QPWFSTKGJXNGKI-UHFFFAOYSA-N 0 1 260.341 2.658 20 30 CFEDMN C#C[C@@H](CC)NCc1ccc(F)c(F)c1N(C)C ZINC000862363917 637336770 /nfs/dbraw/zinc/33/67/70/637336770.db2.gz WGRMNSAIUVOFGO-NSHDSACASA-N 0 1 252.308 2.532 20 30 CFEDMN COc1cc(CNCc2ccnc(F)c2C)ccc1C#N ZINC000862370961 637341703 /nfs/dbraw/zinc/34/17/03/637341703.db2.gz WVCLRIHQJGDUAR-UHFFFAOYSA-N 0 1 285.322 2.699 20 30 CFEDMN C=CC(C)(C)CCNC(=O)Cc1n[nH]c2c1CCCC2 ZINC000862396091 637355414 /nfs/dbraw/zinc/35/54/14/637355414.db2.gz HFNAQZRLGWVDSI-UHFFFAOYSA-N 0 1 275.396 2.550 20 30 CFEDMN C=CCCC[C@@H](C)NC(=O)Cc1n[nH]c2c1CCCC2 ZINC000188438667 650330286 /nfs/dbraw/zinc/33/02/86/650330286.db2.gz QZTYEXLLJHSHAF-GFCCVEGCSA-N 0 1 275.396 2.692 20 30 CFEDMN C#CC[C@H]1CCN(Cc2ccn(-c3ccccc3)n2)C1 ZINC000862444427 637384654 /nfs/dbraw/zinc/38/46/54/637384654.db2.gz AABPQNXDQQPCAR-HNNXBMFYSA-N 0 1 265.360 2.718 20 30 CFEDMN C#CC[C@@H]1CC[N@@H+](Cc2ccc(Br)cc2[O-])C1 ZINC000862446569 637387809 /nfs/dbraw/zinc/38/78/09/637387809.db2.gz ARLDFBXZVGPZGE-LLVKDONJSA-N 0 1 294.192 3.000 20 30 CFEDMN C#CC[C@@H]1CC[N@H+](Cc2ccc(Br)cc2[O-])C1 ZINC000862446569 637387813 /nfs/dbraw/zinc/38/78/13/637387813.db2.gz ARLDFBXZVGPZGE-LLVKDONJSA-N 0 1 294.192 3.000 20 30 CFEDMN C#CC[C@@H]1CCN(Cc2cncc(Br)c2C)C1 ZINC000862447584 637388198 /nfs/dbraw/zinc/38/81/98/637388198.db2.gz ORBWUZLKPOIUJM-GFCCVEGCSA-N 0 1 293.208 2.998 20 30 CFEDMN C=CCN1CC[C@H](NC(=O)[C@]2(C)CC[C@H](C)C2(C)C)C1 ZINC001015796995 651214069 /nfs/dbraw/zinc/21/40/69/651214069.db2.gz VNMYPEGECMSWMN-ZQIUZPCESA-N 0 1 278.440 2.825 20 30 CFEDMN C#CC[C@H]1CCN(C(=O)c2cc(-c3ccccc3)[nH]n2)C1 ZINC000862559974 637426990 /nfs/dbraw/zinc/42/69/90/637426990.db2.gz HJVWMQQFTWLLKU-ZDUSSCGKSA-N 0 1 279.343 2.562 20 30 CFEDMN C#CC[C@@H]1CCN(C(=O)c2cccc(C(F)(F)F)c2O)C1 ZINC000862579340 637445451 /nfs/dbraw/zinc/44/54/51/637445451.db2.gz VDRSHWAVKRMMCD-SNVBAGLBSA-N 0 1 297.276 2.896 20 30 CFEDMN C#CCN1CCC(C(=O)N2CC(C)(C)CCC2(C)C)CC1 ZINC000862587127 637446669 /nfs/dbraw/zinc/44/66/69/637446669.db2.gz JXGQEPIODDGGPA-UHFFFAOYSA-N 0 1 290.451 2.759 20 30 CFEDMN C[N@H+]1CCC(N=Nc2ccc(CC(=O)[O-])cc2)CC1(C)C ZINC000863127386 637566239 /nfs/dbraw/zinc/56/62/39/637566239.db2.gz ZVMMXUBBMMXORH-UHFFFAOYSA-N 0 1 289.379 2.586 20 30 CFEDMN CC(=NNc1ccncc1C)c1c(C)cc(C)cc1O ZINC000863157447 637571289 /nfs/dbraw/zinc/57/12/89/637571289.db2.gz AWFMJXNRJQHHBX-UHFFFAOYSA-N 0 1 269.348 2.970 20 30 CFEDMN CC(=NNc1ccncc1C)c1cnn(C2CCCC2)c1 ZINC000863157870 637571587 /nfs/dbraw/zinc/57/15/87/637571587.db2.gz JBPNBRGXDKNIHQ-UHFFFAOYSA-N 0 1 283.379 2.960 20 30 CFEDMN Cc1cc([N-][NH+]=C2CCCNc3ccccc32)ccn1 ZINC000863159407 637574488 /nfs/dbraw/zinc/57/44/88/637574488.db2.gz PRJKEQBGVYTAOC-UHFFFAOYSA-N 0 1 266.348 2.834 20 30 CFEDMN Cc1cccc([N-]N=Cc2nc3c(s2)CCC3)[nH+]1 ZINC000863161069 637575314 /nfs/dbraw/zinc/57/53/14/637575314.db2.gz WOMFJGYKLVVHCD-UHFFFAOYSA-N 0 1 258.350 2.781 20 30 CFEDMN Cc1cccc(NN=Cc2nc3c(s2)CCC3)n1 ZINC000863161069 637575317 /nfs/dbraw/zinc/57/53/17/637575317.db2.gz WOMFJGYKLVVHCD-UHFFFAOYSA-N 0 1 258.350 2.781 20 30 CFEDMN C[C@@H]1C(=Nn2cccn2)CCCN1Cc1ccccc1 ZINC000863163775 637576105 /nfs/dbraw/zinc/57/61/05/637576105.db2.gz OVXZNPTWMGPPSZ-CQSZACIVSA-N 0 1 268.364 2.772 20 30 CFEDMN CC[NH+](CC)Cc1cc(C(C)=Nn2cccn2)ccc1[O-] ZINC000863165631 637577794 /nfs/dbraw/zinc/57/77/94/637577794.db2.gz ILCSDBCBAODGQR-UHFFFAOYSA-N 0 1 286.379 2.703 20 30 CFEDMN C#CCN1CCC(C(=O)N2CCC[C@@H](C/C=C/C)C2)CC1 ZINC000863815647 637788194 /nfs/dbraw/zinc/78/81/94/637788194.db2.gz ZHXFDFSEARHNTG-LLCTXKFZSA-N 0 1 288.435 2.536 20 30 CFEDMN C=CCOc1cccc(NC(=O)C2(N(C)C)CCC2)c1 ZINC000119677882 637798565 /nfs/dbraw/zinc/79/85/65/637798565.db2.gz RDZZVUUXCBIJQT-UHFFFAOYSA-N 0 1 274.364 2.674 20 30 CFEDMN C#C[C@H](NC(=O)CN(C)C1CCC1)c1ccc(Cl)cc1 ZINC000863917977 637811191 /nfs/dbraw/zinc/81/11/91/637811191.db2.gz DIXKVUGVEXKMET-HNNXBMFYSA-N 0 1 290.794 2.615 20 30 CFEDMN Fc1ccccc1N=NCc1ccc(-n2cncn2)cc1 ZINC000863968525 637822984 /nfs/dbraw/zinc/82/29/84/637822984.db2.gz UYFSDHXWYWUZPN-UHFFFAOYSA-N 0 1 281.294 2.852 20 30 CFEDMN CN(Cc1ccc(C#N)s1)Cc1ccccc1O ZINC000120064174 637989450 /nfs/dbraw/zinc/98/94/50/637989450.db2.gz RTQPKZYCCHHQHV-UHFFFAOYSA-N 0 1 258.346 2.957 20 30 CFEDMN Cc1occc1CNCc1cc(C#N)ccc1N(C)C ZINC000865426505 638327973 /nfs/dbraw/zinc/32/79/73/638327973.db2.gz RQHHJAFWIXGQRK-UHFFFAOYSA-N 0 1 269.348 2.816 20 30 CFEDMN C[C@@](CO)(Cc1ccc(F)cc1)NCc1ccccc1C#N ZINC000865715653 638531745 /nfs/dbraw/zinc/53/17/45/638531745.db2.gz WTVJSZULRPDXPT-SFHVURJKSA-N 0 1 298.361 2.781 20 30 CFEDMN C=C(Cl)CN1CCC2(C[C@H]2NC(=O)C2CCCC2)CC1 ZINC001016462240 651234589 /nfs/dbraw/zinc/23/45/89/651234589.db2.gz UFBNDUCFOJQJJW-CQSZACIVSA-N 0 1 296.842 2.900 20 30 CFEDMN N#Cc1csc(CNC2([C@H]3CCCCO3)CCC2)n1 ZINC000865855865 638616973 /nfs/dbraw/zinc/61/69/73/638616973.db2.gz CGGNAHLYWZBZAM-GFCCVEGCSA-N 0 1 277.393 2.596 20 30 CFEDMN C#C[C@@H]1CCCN(c2ccncc2C(F)(F)F)C1 ZINC000865916802 638656132 /nfs/dbraw/zinc/65/61/32/638656132.db2.gz SWEZHSGOMZVGEO-SNVBAGLBSA-N 0 1 254.255 2.950 20 30 CFEDMN C=CCOCCCN[C@H]1c2ccccc2OC[C@H]1F ZINC000866389374 638812293 /nfs/dbraw/zinc/81/22/93/638812293.db2.gz FXXBKTFFFNQJQK-HIFRSBDPSA-N 0 1 265.328 2.641 20 30 CFEDMN C[C@@H]1CCC[C@H](C)N1C(=O)[C@@H]1NCCc2cc(C#N)ccc21 ZINC000867949380 638908176 /nfs/dbraw/zinc/90/81/76/638908176.db2.gz XBMGIXBZEYBZQD-IIYDPXPESA-N 0 1 297.402 2.535 20 30 CFEDMN C[C@@H](CNC(=O)[C@@H]1NCCc2cc(C#N)ccc21)C(C)(C)C ZINC000867953515 638908517 /nfs/dbraw/zinc/90/85/17/638908517.db2.gz YQHBUZXFLDSXDN-BLLLJJGKSA-N 0 1 299.418 2.543 20 30 CFEDMN CCCCCCCCCCNC(=O)c1ncn[nH]1 ZINC000122625299 639267168 /nfs/dbraw/zinc/26/71/68/639267168.db2.gz RNDQZQCSTXQNKV-UHFFFAOYSA-N 0 1 252.362 2.675 20 30 CFEDMN CCCCCCCCCCNC(=O)c1nc[nH]n1 ZINC000122625299 639267173 /nfs/dbraw/zinc/26/71/73/639267173.db2.gz RNDQZQCSTXQNKV-UHFFFAOYSA-N 0 1 252.362 2.675 20 30 CFEDMN CC(C)(C)[C@H](C#N)OC(=O)c1[nH]nc2c1CCCCC2 ZINC000191279040 650488095 /nfs/dbraw/zinc/48/80/95/650488095.db2.gz JHLJUFWQWKLNGD-LBPRGKRZSA-N 0 1 275.352 2.774 20 30 CFEDMN C=CCCCC(=O)N1CC2(CN(Cc3ccccc3)C2)C1 ZINC000869815275 639419113 /nfs/dbraw/zinc/41/91/13/639419113.db2.gz NHPBKSORISCHTG-UHFFFAOYSA-N 0 1 284.403 2.687 20 30 CFEDMN N#Cc1cc(C(=O)O[C@@H]2CCN(Cc3ccccc3)C2)co1 ZINC000870007136 639495486 /nfs/dbraw/zinc/49/54/86/639495486.db2.gz JEEJWUNKTLYDMO-OAHLLOKOSA-N 0 1 296.326 2.583 20 30 CFEDMN N#CC(C(=O)c1c(Cl)n[nH]c1C1CC1)c1ccccn1 ZINC000870137056 639527859 /nfs/dbraw/zinc/52/78/59/639527859.db2.gz VHEGQLICKDJXBH-VIFPVBQESA-N 0 1 286.722 2.826 20 30 CFEDMN CC[C@@H](CC(=O)[C@H](C#N)C(=O)NC(C)C)C(C)(C)C ZINC000870145849 639528531 /nfs/dbraw/zinc/52/85/31/639528531.db2.gz RHQMEPUUAPGCLL-RYUDHWBXSA-N 0 1 266.385 2.682 20 30 CFEDMN C=CC[N@H+](CCOC)Cc1ccc(O[C@@H](C)C#N)cc1 ZINC000191764230 650522089 /nfs/dbraw/zinc/52/20/89/650522089.db2.gz OTXRQLRRKHQJLR-AWEZNQCLSA-N 0 1 274.364 2.612 20 30 CFEDMN CC[C@@H](C)CC[C@@H](O)CC(=O)NOc1cccc(C#N)c1 ZINC000870689773 639772321 /nfs/dbraw/zinc/77/23/21/639772321.db2.gz BEYOKIZXLXKDGZ-TZMCWYRMSA-N 0 1 290.363 2.546 20 30 CFEDMN C=CCC1(C(=O)OC[C@@H]2CN(CC(C)C)CCO2)CCC1 ZINC000192233037 650551272 /nfs/dbraw/zinc/55/12/72/650551272.db2.gz XUOGTURHKTXEPG-HNNXBMFYSA-N 0 1 295.423 2.633 20 30 CFEDMN CN(C)c1ccc(C(N)=NOCc2cccc(F)c2)cc1 ZINC000079863359 650624503 /nfs/dbraw/zinc/62/45/03/650624503.db2.gz YCJWIDACTSJXQP-UHFFFAOYSA-N 0 1 287.338 2.729 20 30 CFEDMN CO[C@@H]1CCCC[C@H]1C(=O)Nc1nc2ccc(C#N)cc2[nH]1 ZINC000871071780 641185469 /nfs/dbraw/zinc/18/54/69/641185469.db2.gz FENCRWSRPOOWRC-BXUZGUMPSA-N 0 1 298.346 2.578 20 30 CFEDMN CS[C@H](C)CCC(=O)Nc1nc2ccc(C#N)cc2[nH]1 ZINC000871072355 641186746 /nfs/dbraw/zinc/18/67/46/641186746.db2.gz KCRAAFLUDIQXLP-SECBINFHSA-N 0 1 288.376 2.905 20 30 CFEDMN CC(=O)CC1(C(=O)Nc2nc3ccc(C#N)cc3[nH]2)CCC1 ZINC000871073245 641187012 /nfs/dbraw/zinc/18/70/12/641187012.db2.gz UZTJDYRMMASZFH-UHFFFAOYSA-N 0 1 296.330 2.522 20 30 CFEDMN CC[C@@H](SC)C(=O)Nc1nc2ccc(C#N)cc2[nH]1 ZINC000871073388 641188357 /nfs/dbraw/zinc/18/83/57/641188357.db2.gz ZSWDRNNTVQMKEO-LLVKDONJSA-N 0 1 274.349 2.515 20 30 CFEDMN Cc1[nH]n([C@H]2CCOC3(CCCC3)C2)c(=O)c1CCC#N ZINC000871964016 641535613 /nfs/dbraw/zinc/53/56/13/641535613.db2.gz NXQJNKNARJJRRU-UONOGXRCSA-N 0 1 289.379 2.616 20 30 CFEDMN C#CCSCCN[C@@H](C)c1c(F)cccc1[N+](=O)[O-] ZINC000872049150 641582184 /nfs/dbraw/zinc/58/21/84/641582184.db2.gz PSHGMZAKDCSUMF-JTQLQIEISA-N 0 1 282.340 2.751 20 30 CFEDMN C=C(C)COCCN[C@H](C)c1cccc(O)c1F ZINC000872047984 641582285 /nfs/dbraw/zinc/58/22/85/641582285.db2.gz FUEIMAXOHHQABZ-LLVKDONJSA-N 0 1 253.317 2.775 20 30 CFEDMN C=C[C@H](CO)N[C@@H](C)c1cc([N+](=O)[O-])ccc1SC ZINC000872089011 641622340 /nfs/dbraw/zinc/62/23/40/641622340.db2.gz SKJPWTOOHWCCPU-VHSXEESVSA-N 0 1 282.365 2.514 20 30 CFEDMN C#C[C@H]1CC[C@H](N[C@H](C)c2ncc(C(=O)OC)s2)CC1 ZINC000872140194 641668153 /nfs/dbraw/zinc/66/81/53/641668153.db2.gz ZDXLCDOLBDIQMN-IJLUTSLNSA-N 0 1 292.404 2.772 20 30 CFEDMN CC(C)(C)OC(=O)N1CC(C)(C)CC[C@H]1CNCCC#N ZINC000872220418 641707741 /nfs/dbraw/zinc/70/77/41/641707741.db2.gz OFAZEEUIEZSUGP-ZDUSSCGKSA-N 0 1 295.427 2.915 20 30 CFEDMN C(=NNc1ccccn1)c1ccnn1CC1CCC1 ZINC000872331151 641758502 /nfs/dbraw/zinc/75/85/02/641758502.db2.gz WKWQTIXGRXMJDS-UHFFFAOYSA-N 0 1 255.325 2.524 20 30 CFEDMN C(=NNCCN1CCCCC1)c1cccc2ncccc12 ZINC000872343516 641760732 /nfs/dbraw/zinc/76/07/32/641760732.db2.gz DPBXFIDMELVURC-UHFFFAOYSA-N 0 1 282.391 2.644 20 30 CFEDMN CCCC(=NNC1=N[C@@H]2CCCC[C@H]2N1)c1cc(C)ccn1 ZINC000872359675 641767345 /nfs/dbraw/zinc/76/73/45/641767345.db2.gz LTPDGRIHMTYIAA-ZIAGYGMSSA-N 0 1 299.422 2.754 20 30 CFEDMN Cn1nc2c(c1C=NNc1cccc(Cl)n1)CCCC2 ZINC000872377285 641781409 /nfs/dbraw/zinc/78/14/09/641781409.db2.gz SRPFCNAZMLUMSI-UHFFFAOYSA-N 0 1 289.770 2.793 20 30 CFEDMN Cn1nncc1NN=Cc1cccc(CC2CCC2)c1 ZINC000872378700 641781808 /nfs/dbraw/zinc/78/18/08/641781808.db2.gz GGELUONLEBFJJG-UHFFFAOYSA-N 0 1 269.352 2.604 20 30 CFEDMN CC(C)N1CC(N=Nc2nc3ccncc3s2)[C@H](C)C1 ZINC000872412907 641800643 /nfs/dbraw/zinc/80/06/43/641800643.db2.gz OERGEETXLVSLQQ-SNVBAGLBSA-N 0 1 289.408 2.819 20 30 CFEDMN COc1ccc2c(c1)C(=NN=c1cc(C)[nH]c(N)n1)CCC2 ZINC000872420067 641804360 /nfs/dbraw/zinc/80/43/60/641804360.db2.gz HCOHVPUJTFDEAM-UHFFFAOYSA-N 0 1 297.362 2.528 20 30 CFEDMN C=CC[C@H]1CCCN(CN2C[C@@H]3CCCCN3C2=O)C1 ZINC000872624314 641878852 /nfs/dbraw/zinc/87/88/52/641878852.db2.gz LLGNSXBXLGCIGG-GJZGRUSLSA-N 0 1 277.412 2.522 20 30 CFEDMN C=CC[C@@H]1CCCN(CN2C[C@@H]3CCCCN3C2=O)C1 ZINC000872624313 641878929 /nfs/dbraw/zinc/87/89/29/641878929.db2.gz LLGNSXBXLGCIGG-CABCVRRESA-N 0 1 277.412 2.522 20 30 CFEDMN C=C(Cl)CN[C@H]1CCN(C(=O)C[C@H]2C=CCCC2)C1 ZINC001019027214 651278561 /nfs/dbraw/zinc/27/85/61/651278561.db2.gz FGXBZJHKMZNSPV-KBPBESRZSA-N 0 1 282.815 2.676 20 30 CFEDMN C=CC(C)(C)CCCNC(=O)N[C@H](C)Cc1cc(C)[nH]n1 ZINC000872943405 641968346 /nfs/dbraw/zinc/96/83/46/641968346.db2.gz BKGPRGAIMMIROC-GFCCVEGCSA-N 0 1 292.427 2.941 20 30 CFEDMN C[C@](O)(CNCc1cccc(F)c1C#N)c1ccsc1 ZINC000873059814 641998472 /nfs/dbraw/zinc/99/84/72/641998472.db2.gz ZGJBOXMVRGEVGM-HNNXBMFYSA-N 0 1 290.363 2.756 20 30 CFEDMN N#Cc1c(F)cccc1CNC[C@@]1(O)CCc2ccccc21 ZINC000873095392 642013005 /nfs/dbraw/zinc/01/30/05/642013005.db2.gz WDPJKDPETNVUJN-SFHVURJKSA-N 0 1 296.345 2.621 20 30 CFEDMN Cc1nccnc1[C@H](C)NCc1ccc(O[C@@H](C)C#N)cc1 ZINC000873187604 642056084 /nfs/dbraw/zinc/05/60/84/642056084.db2.gz XUFTZSHJDFVISX-JSGCOSHPSA-N 0 1 296.374 2.927 20 30 CFEDMN N#CC(C(=O)C1CCC=CCC1)c1nnc2n1CCCCC2 ZINC000873498997 642224000 /nfs/dbraw/zinc/22/40/00/642224000.db2.gz IGEOPBUJJLZUKD-CQSZACIVSA-N 0 1 298.390 2.927 20 30 CFEDMN CC(C)(C)c1ccc([C@@H](C#N)NC(=O)CN2CCCC2)cc1 ZINC000874447637 642388609 /nfs/dbraw/zinc/38/86/09/642388609.db2.gz ULTURHXKAIKGIB-MRXNPFEDSA-N 0 1 299.418 2.761 20 30 CFEDMN Cc1cc(F)c(C#N)cc1NC(=O)[C@@H]1CCCc2[nH]ncc21 ZINC000874900993 642546821 /nfs/dbraw/zinc/54/68/21/642546821.db2.gz XYHOXXWDZAVUOB-LLVKDONJSA-N 0 1 298.321 2.788 20 30 CFEDMN CC(C)[C@@H](C#N)NC(=O)C(F)(F)c1cc(F)cc(F)c1 ZINC000875518977 642633739 /nfs/dbraw/zinc/63/37/39/642633739.db2.gz VCRDLHUOFBVGKZ-LLVKDONJSA-N 0 1 288.244 2.721 20 30 CFEDMN C#CCCCCCCN1CCN(Cc2cc(C)on2)CC1 ZINC000876548689 642916540 /nfs/dbraw/zinc/91/65/40/642916540.db2.gz QFWZSPIGUZIGMU-UHFFFAOYSA-N 0 1 289.423 2.684 20 30 CFEDMN C=CCN(Cc1cnc(CCOC)s1)C(C)C ZINC000876600348 642940857 /nfs/dbraw/zinc/94/08/57/642940857.db2.gz PUKUDEWIVREIKV-UHFFFAOYSA-N 0 1 254.399 2.728 20 30 CFEDMN C=CC[C@@H](C)NC(=O)[C@@H](N)c1cccc(C(F)(F)F)c1 ZINC000876671333 642966324 /nfs/dbraw/zinc/96/63/24/642966324.db2.gz MKLAGAKAWXCMKB-SKDRFNHKSA-N 0 1 286.297 2.786 20 30 CFEDMN C=CC[C@H](C)NC(=O)[C@@H](N)c1cccc(C(F)(F)F)c1 ZINC000876671330 642966457 /nfs/dbraw/zinc/96/64/57/642966457.db2.gz MKLAGAKAWXCMKB-CABZTGNLSA-N 0 1 286.297 2.786 20 30 CFEDMN CCc1ccc(NC(=O)C(C#N)C(=O)[C@H]2CC2(C)C)cc1 ZINC000126103628 642971622 /nfs/dbraw/zinc/97/16/22/642971622.db2.gz ZXWPILPAOPHJNS-UONOGXRCSA-N 0 1 284.359 2.942 20 30 CFEDMN N#Cc1cnc(Cl)c(CN[C@H]2COc3ccccc3C2)c1 ZINC000876977088 643090080 /nfs/dbraw/zinc/09/00/80/643090080.db2.gz WNYBHKXKBFXMCC-CQSZACIVSA-N 0 1 299.761 2.700 20 30 CFEDMN C=CC[C@@H](NCc1cc(C)c(C(=O)OC)[nH]1)c1ccncc1 ZINC000877046266 643118797 /nfs/dbraw/zinc/11/87/97/643118797.db2.gz KHWRVKGQFIHAMI-OAHLLOKOSA-N 0 1 299.374 2.912 20 30 CFEDMN C#CCCCCCCN[C@@H]1CS(=O)(=O)c2ccccc21 ZINC000877109804 643155900 /nfs/dbraw/zinc/15/59/00/643155900.db2.gz HJNKMTDJBRDBCY-OAHLLOKOSA-N 0 1 291.416 2.688 20 30 CFEDMN CC(C)[C@H]1CC[C@H](C(=O)C(C#N)C(=O)N2CCCC2)CC1 ZINC000245536135 650820111 /nfs/dbraw/zinc/82/01/11/650820111.db2.gz IGSVIBYVVIMANM-RBSFLKMASA-N 0 1 290.407 2.780 20 30 CFEDMN C=CC(C)(C)CCCNC(=O)[C@H]1Cc2ccccc2CN1 ZINC000877303590 643226271 /nfs/dbraw/zinc/22/62/71/643226271.db2.gz KPIILPJQRVZAEW-MRXNPFEDSA-N 0 1 286.419 2.810 20 30 CFEDMN C#CCCCCCCN1CCN(c2cnccc2C#N)CC1 ZINC000877545895 643347924 /nfs/dbraw/zinc/34/79/24/643347924.db2.gz FIEMGVIDYDLXNT-UHFFFAOYSA-N 0 1 296.418 2.659 20 30 CFEDMN C[C@@H]1C[C@H](NCc2cc(C#N)cnc2Cl)CS1 ZINC000877587921 643383041 /nfs/dbraw/zinc/38/30/41/643383041.db2.gz JSHBXGDFAIOWTK-KCJUWKMLSA-N 0 1 267.785 2.590 20 30 CFEDMN CCCC[C@](C)(CO)NCc1cc(C#N)cnc1Cl ZINC000877606174 643393102 /nfs/dbraw/zinc/39/31/02/643393102.db2.gz SCANLODIXQWKNB-CQSZACIVSA-N 0 1 281.787 2.637 20 30 CFEDMN C#CC[C@@H]1CCN(Cc2ccncc2Br)C1 ZINC000877649815 643430893 /nfs/dbraw/zinc/43/08/93/643430893.db2.gz JPSLYHVPYPLNHE-LLVKDONJSA-N 0 1 279.181 2.689 20 30 CFEDMN C#CC[C@@H]1CCN(Cc2nc3cc([N+](=O)[O-])ccc3o2)C1 ZINC000877650907 643431772 /nfs/dbraw/zinc/43/17/72/643431772.db2.gz PLQBPJORXUSUOV-LLVKDONJSA-N 0 1 285.303 2.581 20 30 CFEDMN C[C@H]1O[C@@H](C)[C@@H](C)[C@@H]1NCc1cc(C#N)cnc1Cl ZINC000877656240 643436343 /nfs/dbraw/zinc/43/63/43/643436343.db2.gz BGXJQLSPCSGOKP-COMAGPEQSA-N 0 1 279.771 2.508 20 30 CFEDMN CC(C)NC(=O)C(C#N)C(=O)[C@@H]1CC[C@@H]2CCCC[C@H]2C1 ZINC000245893827 650842334 /nfs/dbraw/zinc/84/23/34/650842334.db2.gz JWLFYJUEZQWKDV-BYNSBNAKSA-N 0 1 290.407 2.826 20 30 CFEDMN N#Cc1cnc(Cl)c(CNC[C@@H]2C[C@H]3CCC[C@@H]3O2)c1 ZINC000877806117 643568064 /nfs/dbraw/zinc/56/80/64/643568064.db2.gz NCQMVNQTRZYZGC-XBFCOCLRSA-N 0 1 291.782 2.654 20 30 CFEDMN C[C@@H]1CCc2[nH]ncc2[C@H]1C(=O)Nc1cccc(C#N)c1 ZINC000878026409 643699986 /nfs/dbraw/zinc/69/99/86/643699986.db2.gz WBQZFQBAOUIEJH-BMIGLBTASA-N 0 1 280.331 2.586 20 30 CFEDMN CC(C)CCN(CCC#N)C[C@H](O)CC1(CO)CCCC1 ZINC000878159018 643765913 /nfs/dbraw/zinc/76/59/13/643765913.db2.gz BBIJVHHLGDWOAL-MRXNPFEDSA-N 0 1 296.455 2.552 20 30 CFEDMN C[C@@H](CNC(=O)OC(C)(C)C)[N@@H+](C)CC1(CC#N)CC1 ZINC000878244338 643806230 /nfs/dbraw/zinc/80/62/30/643806230.db2.gz NUOTUKNYRMXFLL-LBPRGKRZSA-N 0 1 281.400 2.525 20 30 CFEDMN CC(C)n1cnnc1[C@H]1CCCN(Cc2ccc(C#N)o2)C1 ZINC000878279873 643819089 /nfs/dbraw/zinc/81/90/89/643819089.db2.gz LJVOUUPXUSIVPY-ZDUSSCGKSA-N 0 1 299.378 2.703 20 30 CFEDMN C[C@@H]1CCC[C@H](C(=O)C(C#N)C(=O)NC2CCCC2)C1 ZINC000246532556 650872905 /nfs/dbraw/zinc/87/29/05/650872905.db2.gz IVFRXXHEQJMQKV-DYEKYZERSA-N 0 1 276.380 2.580 20 30 CFEDMN CCCNC(=O)OC[C@@H]1CCCCN1CC1(CC#N)CC1 ZINC000878616551 643959748 /nfs/dbraw/zinc/95/97/48/643959748.db2.gz PYARIJXZNOIIFX-AWEZNQCLSA-N 0 1 293.411 2.671 20 30 CFEDMN C[C@@H]1CN(Cc2ccc(CF)cc2)C[C@@H](C)N1CC#N ZINC000878772836 644021876 /nfs/dbraw/zinc/02/18/76/644021876.db2.gz SGCNLSOCGLUHMJ-ZIAGYGMSSA-N 0 1 275.371 2.574 20 30 CFEDMN N#CC1(CCCN2CCC=C(Cl)C2)CCOCC1 ZINC000878792291 644028137 /nfs/dbraw/zinc/02/81/37/644028137.db2.gz ZBBYYPOYDNQZHA-UHFFFAOYSA-N 0 1 268.788 2.915 20 30 CFEDMN C#CCCN(CCOC)Cc1ccc(C)c(Cl)n1 ZINC000878997822 644105505 /nfs/dbraw/zinc/10/55/05/644105505.db2.gz HLGHYUPMDLQHKV-UHFFFAOYSA-N 0 1 266.772 2.515 20 30 CFEDMN N#Cc1ccc(CN2CCC(c3ccc(C#N)cn3)CC2)o1 ZINC000879023090 644115326 /nfs/dbraw/zinc/11/53/26/644115326.db2.gz HXSZDKSXLDBEQP-UHFFFAOYSA-N 0 1 292.342 2.798 20 30 CFEDMN CC1(C)CC[C@@H](CC(=O)Nc2cc(C#N)ccc2O)OC1 ZINC000879067999 644132022 /nfs/dbraw/zinc/13/20/22/644132022.db2.gz ZJZGSBBRTIDYPE-LBPRGKRZSA-N 0 1 288.347 2.798 20 30 CFEDMN C[C@H](C#N)OCCN1CCC(Oc2ccccc2F)CC1 ZINC000879195591 644170921 /nfs/dbraw/zinc/17/09/21/644170921.db2.gz PJRYMJVKRLWXEG-CYBMUJFWSA-N 0 1 292.354 2.598 20 30 CFEDMN C=C(Cl)CN1CCC[C@@H]1[C@@H](O)c1ccccc1 ZINC000879241268 644186714 /nfs/dbraw/zinc/18/67/14/644186714.db2.gz LIVOFNVMPNHSFF-KGLIPLIRSA-N 0 1 251.757 2.937 20 30 CFEDMN CCCCCC[C@H](O)CN(C)[C@@H]1CCC[C@@H]1C#N ZINC000879309376 644216521 /nfs/dbraw/zinc/21/65/21/644216521.db2.gz MQENZSQQGBLHNC-QLFBSQMISA-N 0 1 252.402 2.942 20 30 CFEDMN CN(CCCOC(F)(F)F)[C@H]1CCC[C@@H]1C#N ZINC000879308788 644217285 /nfs/dbraw/zinc/21/72/85/644217285.db2.gz HGZRAXMCMVHATG-ZJUUUORDSA-N 0 1 250.264 2.537 20 30 CFEDMN N#Cc1c(CN2CC[C@@H]3CSC[C@H]3C2)cn2ccccc12 ZINC000879559324 644318425 /nfs/dbraw/zinc/31/84/25/644318425.db2.gz RFWTZWBZOQVVPB-UKRRQHHQSA-N 0 1 297.427 2.996 20 30 CFEDMN N#Cc1cc(F)ccc1N1CCN(CCCCF)CC1 ZINC000879589449 644343033 /nfs/dbraw/zinc/34/30/33/644343033.db2.gz FSWRCTYZOFCFAX-UHFFFAOYSA-N 0 1 279.334 2.569 20 30 CFEDMN C[C@H]1CN(CCC(C)(C)C#N)CC[C@@H](C(F)(F)F)O1 ZINC000880063376 644518880 /nfs/dbraw/zinc/51/88/80/644518880.db2.gz ZZYHULBSVKEBRF-QWRGUYRKSA-N 0 1 278.318 2.968 20 30 CFEDMN C[C@@H]1CN([C@@H]2CC[C@H](C#N)C2)CC[C@@H](C(F)(F)F)O1 ZINC000880067019 644519963 /nfs/dbraw/zinc/51/99/63/644519963.db2.gz MRBMUNPDWKYZBB-KXNHARMFSA-N 0 1 276.302 2.720 20 30 CFEDMN COCC1([N@@H+](C)Cc2cc(C#N)ccc2OC)CCC1 ZINC000880186070 644568917 /nfs/dbraw/zinc/56/89/17/644568917.db2.gz OMDHSEVXXINIAK-UHFFFAOYSA-N 0 1 274.364 2.568 20 30 CFEDMN COCC1([N@@H+](C)Cc2ccc(C#N)cc2F)CCC1 ZINC000880187002 644569080 /nfs/dbraw/zinc/56/90/80/644569080.db2.gz BYJBBMFWTPSKAI-UHFFFAOYSA-N 0 1 262.328 2.698 20 30 CFEDMN COCC1(N(C)Cc2ccc(C#N)cc2F)CCC1 ZINC000880187002 644569082 /nfs/dbraw/zinc/56/90/82/644569082.db2.gz BYJBBMFWTPSKAI-UHFFFAOYSA-N 0 1 262.328 2.698 20 30 CFEDMN N#Cc1c(CN2CC[C@@H](CF)C2)cn2ccccc12 ZINC000880295727 644634958 /nfs/dbraw/zinc/63/49/58/644634958.db2.gz NUQBSLRTAGPNKD-LBPRGKRZSA-N 0 1 257.312 2.602 20 30 CFEDMN C#CCC1(O)CCN(Cc2ccc(OC)cc2Cl)CC1 ZINC000880480647 644730783 /nfs/dbraw/zinc/73/07/83/644730783.db2.gz AGQOPQRGRQOAKM-UHFFFAOYSA-N 0 1 293.794 2.699 20 30 CFEDMN C#CCC1(O)CCN([C@@H](C)c2ccccc2[N+](=O)[O-])CC1 ZINC000880480367 644730899 /nfs/dbraw/zinc/73/08/99/644730899.db2.gz QIUOAUQPWZFVGB-ZDUSSCGKSA-N 0 1 288.347 2.506 20 30 CFEDMN CC(C)Oc1cccc(CON=C(N)C(C)C)c1 ZINC000128476891 644747381 /nfs/dbraw/zinc/74/73/81/644747381.db2.gz KVBKZLRGUTVSBG-UHFFFAOYSA-N 0 1 250.342 2.919 20 30 CFEDMN COc1ccc(CN(CCO)Cc2cccc(C#N)c2)cc1 ZINC000880570135 644769595 /nfs/dbraw/zinc/76/95/95/644769595.db2.gz QDZJZDDQAZMPOE-UHFFFAOYSA-N 0 1 296.370 2.561 20 30 CFEDMN C=CCN(C(=O)Nc1cc(CN(C)C)ccn1)C(C)C ZINC000880596455 644783034 /nfs/dbraw/zinc/78/30/34/644783034.db2.gz OVLJRMMAJCOWEJ-UHFFFAOYSA-N 0 1 276.384 2.572 20 30 CFEDMN Cc1ccc(N2CCN(Cc3ccccc3)CC2)c(C#N)n1 ZINC000881734467 645118166 /nfs/dbraw/zinc/11/81/66/645118166.db2.gz MNGDXBHQRPSQLN-UHFFFAOYSA-N 0 1 292.386 2.584 20 30 CFEDMN CCN(CC(=O)Nc1ccc(C2CC2)c(C#N)c1)C1CC1 ZINC000882312049 645277589 /nfs/dbraw/zinc/27/75/89/645277589.db2.gz IADQGKNSLYXHRC-UHFFFAOYSA-N 0 1 283.375 2.858 20 30 CFEDMN C=C(C)CN1CCC[C@H](NC(=O)C2CCCCC2)C1 ZINC001006607335 651126899 /nfs/dbraw/zinc/12/68/99/651126899.db2.gz HJNXBXYMZYUKOU-HNNXBMFYSA-N 0 1 264.413 2.723 20 30 CFEDMN C=C[C@@H](CC(=O)NC[C@@H]1CCN1CC)c1ccccc1 ZINC000882488988 645340619 /nfs/dbraw/zinc/34/06/19/645340619.db2.gz KMAAWIBKVSTQFN-HOCLYGCPSA-N 0 1 272.392 2.557 20 30 CFEDMN C=C(Cl)CN[C@H](C)c1ccc2c(c1)OCCO2 ZINC000130882947 645588567 /nfs/dbraw/zinc/58/85/67/645588567.db2.gz JNOJBVJHDJXCOE-SNVBAGLBSA-N 0 1 253.729 2.861 20 30 CFEDMN C#CC[C@H](CO)NCc1ccc(F)c(Cl)c1Cl ZINC000883124478 645614372 /nfs/dbraw/zinc/61/43/72/645614372.db2.gz HYLZSLNEOOFMJG-SECBINFHSA-N 0 1 276.138 2.606 20 30 CFEDMN N#CC(C(=O)[C@@H]1CC1(Cl)Cl)c1nc2ccccc2[nH]1 ZINC000097466066 651029154 /nfs/dbraw/zinc/02/91/54/651029154.db2.gz GFASFNHVDIIJEH-YUMQZZPRSA-N 0 1 294.141 2.933 20 30 CFEDMN C=CCC[C@H](COc1ccccc1)NCc1nccn1C ZINC000883185035 645648306 /nfs/dbraw/zinc/64/83/06/645648306.db2.gz MQBFECYKFXWCEN-OAHLLOKOSA-N 0 1 285.391 2.924 20 30 CFEDMN C=CCC[C@@H](NCc1csc(N(C)C)n1)[C@@H]1CCCO1 ZINC000883195015 645655344 /nfs/dbraw/zinc/65/53/44/645655344.db2.gz JBYOJRMTUMUDTH-KGLIPLIRSA-N 0 1 295.452 2.813 20 30 CFEDMN C=CCNC(=O)CN[C@H](CC)c1sccc1Cl ZINC000883213956 645668599 /nfs/dbraw/zinc/66/85/99/645668599.db2.gz UTVRNEPVMZVKSS-SNVBAGLBSA-N 0 1 272.801 2.744 20 30 CFEDMN C=CCC[C@@H](NCc1csc(COC)n1)[C@H]1CCCO1 ZINC000883222990 645673902 /nfs/dbraw/zinc/67/39/02/645673902.db2.gz FWJFYFOUZJPIDT-ZIAGYGMSSA-N 0 1 296.436 2.893 20 30 CFEDMN C#C[C@@H](C)OC(=O)c1[nH]c(-c2cccc(OC)c2)nc1C ZINC000133072340 646020974 /nfs/dbraw/zinc/02/09/74/646020974.db2.gz ZETHCZDOCLONMK-SNVBAGLBSA-N 0 1 284.315 2.572 20 30 CFEDMN Cc1[nH]nc(CN=Nc2nc(C(F)(F)F)cs2)c1C ZINC000884435332 646357125 /nfs/dbraw/zinc/35/71/25/646357125.db2.gz UJWFOUVTBAEXEX-UHFFFAOYSA-N 0 1 289.286 2.948 20 30 CFEDMN C[C@@H]1CCc2[nH]ncc2[C@@H]1C(=O)OCCC(C)(C)C#N ZINC000885257796 646649789 /nfs/dbraw/zinc/64/97/89/646649789.db2.gz DLPKSZYGNROUBU-ZWNOBZJWSA-N 0 1 275.352 2.559 20 30 CFEDMN C#CCN1CC[N@@H+](Cc2ccc(C)nc2)C[C@@H]1[C@H](C)CC ZINC000135872107 646661591 /nfs/dbraw/zinc/66/15/91/646661591.db2.gz WOTXTLVEYXGYAA-CRAIPNDOSA-N 0 1 285.435 2.556 20 30 CFEDMN Cc1csc(C(C#N)C(=O)C=Cc2cccnc2)n1 ZINC000136092269 646739137 /nfs/dbraw/zinc/73/91/37/646739137.db2.gz BXLRZPHTIZORQM-ZYOFXKKJSA-N 0 1 269.329 2.736 20 30 CFEDMN COc1cc(C)cc(CNCC2(CC#N)CC2)c1OC ZINC000886102263 646873411 /nfs/dbraw/zinc/87/34/11/646873411.db2.gz CBARHNXVSPIWQQ-UHFFFAOYSA-N 0 1 274.364 2.796 20 30 CFEDMN CSc1ccc(CNCc2cnc3n2CCC3)cc1C#N ZINC000886277153 646947390 /nfs/dbraw/zinc/94/73/90/646947390.db2.gz IROVANQXHYDHMA-UHFFFAOYSA-N 0 1 298.415 2.713 20 30 CFEDMN C#CC[C@H]1CC[N@H+]([C@H](C)C(=O)Nc2ccccc2C)C1 ZINC000886354103 646982832 /nfs/dbraw/zinc/98/28/32/646982832.db2.gz VZVUZJUEWPGSAN-CABCVRRESA-N 0 1 270.376 2.667 20 30 CFEDMN C#CC[C@H]1CC[N@@H+](Cc2nc(-c3ccsc3)no2)C1 ZINC000886353839 646983570 /nfs/dbraw/zinc/98/35/70/646983570.db2.gz RABLAWNJVIGJHR-NSHDSACASA-N 0 1 273.361 2.643 20 30 CFEDMN C#CC[C@H]1CCN(Cc2nc(-c3ccsc3)no2)C1 ZINC000886353839 646983573 /nfs/dbraw/zinc/98/35/73/646983573.db2.gz RABLAWNJVIGJHR-NSHDSACASA-N 0 1 273.361 2.643 20 30 CFEDMN C#CC[C@@H]1CCN(Cc2nnc(-c3ccc(OC)cc3)o2)C1 ZINC000886354275 646984052 /nfs/dbraw/zinc/98/40/52/646984052.db2.gz YZFVDPVVQJYPIR-CYBMUJFWSA-N 0 1 297.358 2.590 20 30 CFEDMN C#CC[C@H]1CCN([C@@H](C)c2nc(CCCC)no2)C1 ZINC000886355240 646984175 /nfs/dbraw/zinc/98/41/75/646984175.db2.gz FEQRXDIJWDYNSX-STQMWFEESA-N 0 1 261.369 2.818 20 30 CFEDMN C#CC[C@@H]1CCN(Cc2cc(F)ccc2[N+](=O)[O-])C1 ZINC000886356248 646985535 /nfs/dbraw/zinc/98/55/35/646985535.db2.gz WURGJUDWYYYVFA-LLVKDONJSA-N 0 1 262.284 2.579 20 30 CFEDMN C#CC[C@@H]1CCN(Cc2c(F)cccc2[N+](=O)[O-])C1 ZINC000886358095 646985882 /nfs/dbraw/zinc/98/58/82/646985882.db2.gz PNFUOJOAWLYIPO-LLVKDONJSA-N 0 1 262.284 2.579 20 30 CFEDMN C#CC[C@@H]1CCN(CC(=O)Nc2sc(C)c(C)c2C)C1 ZINC000886357954 646986199 /nfs/dbraw/zinc/98/61/99/646986199.db2.gz NKERVSFJYPHXMW-CQSZACIVSA-N 0 1 290.432 2.957 20 30 CFEDMN C#CC[C@@H]1CCN(CC(=O)Nc2c(C)cccc2C)C1 ZINC000886359886 646986580 /nfs/dbraw/zinc/98/65/80/646986580.db2.gz LIWKTQDKVGJLLZ-OAHLLOKOSA-N 0 1 270.376 2.587 20 30 CFEDMN C#CC[C@@H]1CCN(Cc2cncc(C(F)(F)F)c2)C1 ZINC000886365806 646989948 /nfs/dbraw/zinc/98/99/48/646989948.db2.gz PUGUYYICLHBADP-LLVKDONJSA-N 0 1 268.282 2.946 20 30 CFEDMN N#CCCNC[C@@H](O)Cn1c2ccccc2c2ccccc21 ZINC000886460962 647006052 /nfs/dbraw/zinc/00/60/52/647006052.db2.gz DDIHOPLONDDCOC-CQSZACIVSA-N 0 1 293.370 2.659 20 30 CFEDMN C=CCC1(O)CCN(Cc2cnc3ccccc3n2)CC1 ZINC000886778864 647134077 /nfs/dbraw/zinc/13/40/77/647134077.db2.gz YNGASRFMFCIWJH-UHFFFAOYSA-N 0 1 283.375 2.533 20 30 CFEDMN C#CCC1(NCc2csc(CCC)n2)CCOCC1 ZINC000887125745 647220080 /nfs/dbraw/zinc/22/00/80/647220080.db2.gz HJAYDJBKEIMOCB-UHFFFAOYSA-N 0 1 278.421 2.758 20 30 CFEDMN CN(Cc1cc(C#N)cs1)C(=O)c1cc(C(F)F)[nH]n1 ZINC000887965693 647450706 /nfs/dbraw/zinc/45/07/06/647450706.db2.gz MGDQQWDSXSPXOW-UHFFFAOYSA-N 0 1 296.302 2.553 20 30 CFEDMN COc1ccnc([C@@H](C)NCc2ccc(C#N)cc2)c1 ZINC000924697722 648029682 /nfs/dbraw/zinc/02/96/82/648029682.db2.gz BOZLCXOCLPFXDU-GFCCVEGCSA-N 0 1 267.332 2.813 20 30 CFEDMN C[C@@H](CC(C)(C)C#N)NCc1ncccc1N(C)C ZINC000926445420 648489822 /nfs/dbraw/zinc/48/98/22/648489822.db2.gz KILBTPZEXMEOQN-LBPRGKRZSA-N 0 1 260.385 2.566 20 30 CFEDMN C=C[C@@H]1OCCC[C@H]1N[C@@H]1CCCc2oc(C)nc21 ZINC000926534262 648522478 /nfs/dbraw/zinc/52/24/78/648522478.db2.gz SGZZQIJAARSECY-UPJWGTAASA-N 0 1 262.353 2.684 20 30 CFEDMN Cc1nc2c(o1)CCC[C@@H]2N[C@H]1Cc2ccc(C#N)cc2C1 ZINC000926812151 648625353 /nfs/dbraw/zinc/62/53/53/648625353.db2.gz KEBXASFTOLTAFK-HOTGVXAUSA-N 0 1 293.370 2.989 20 30 CFEDMN N#CCCc1ccc(NC(=O)[C@@H]2CCCN2C2CC2)cc1 ZINC000928400501 648906213 /nfs/dbraw/zinc/90/62/13/648906213.db2.gz DHPUISYGBJKMAU-INIZCTEOSA-N 0 1 283.375 2.708 20 30 CFEDMN C#CCN1CCC(NC(=O)C[C@H](C)C2CCCCC2)CC1 ZINC000928658639 648938759 /nfs/dbraw/zinc/93/87/59/648938759.db2.gz WPZKCINNWIIEHK-HNNXBMFYSA-N 0 1 290.451 2.807 20 30 CFEDMN C#CCN1CCC(NC(=O)[C@H](CC=C)c2ccccc2)CC1 ZINC000928652711 648939063 /nfs/dbraw/zinc/93/90/63/648939063.db2.gz JJMRCISECOZABZ-GOSISDBHSA-N 0 1 296.414 2.560 20 30 CFEDMN C#CCN1CCC(NC(=O)[C@H](c2ccccc2)C(C)C)CC1 ZINC000928656142 648939089 /nfs/dbraw/zinc/93/90/89/648939089.db2.gz MPJTVDRBZABNBM-SFHVURJKSA-N 0 1 298.430 2.640 20 30 CFEDMN C#CCN1CCC(NC(=O)[C@@H](CC=C)c2ccccc2)CC1 ZINC000928652712 648939128 /nfs/dbraw/zinc/93/91/28/648939128.db2.gz JJMRCISECOZABZ-SFHVURJKSA-N 0 1 296.414 2.560 20 30 CFEDMN C#CCN1CCC(NC(=O)C2(CC)CCCCC2)CC1 ZINC000928654369 648939165 /nfs/dbraw/zinc/93/91/65/648939165.db2.gz YOOPZTJTDGPFRE-UHFFFAOYSA-N 0 1 276.424 2.561 20 30 CFEDMN C#CCN1CCC(NC(=O)c2cccc3ccccc32)CC1 ZINC000928661513 648939882 /nfs/dbraw/zinc/93/98/82/648939882.db2.gz WKPAQOYGOQVUFH-UHFFFAOYSA-N 0 1 292.382 2.667 20 30 CFEDMN C[C@H](c1cc2ccccc2o1)N(C)C[C@H](O)CC#N ZINC000929092346 648977311 /nfs/dbraw/zinc/97/73/11/648977311.db2.gz LKPUFJAROQIXNJ-DGCLKSJQSA-N 0 1 258.321 2.700 20 30 CFEDMN C#Cc1cccc(NC(=O)CN(C)CCCC(C)(F)F)c1 ZINC000929290085 649025689 /nfs/dbraw/zinc/02/56/89/649025689.db2.gz LYIRXBBHCKYCBS-UHFFFAOYSA-N 0 1 294.345 2.974 20 30 CFEDMN CC[N@@H+](CCOC)Cc1cc(Cl)cc(C#N)c1 ZINC000929342105 649034422 /nfs/dbraw/zinc/03/44/22/649034422.db2.gz WNZLHFKUQHIALN-UHFFFAOYSA-N 0 1 252.745 2.680 20 30 CFEDMN C=CC[N@@H+](C[C@H]1CCCS1(=O)=O)CC1CCCCC1 ZINC000929626024 649081875 /nfs/dbraw/zinc/08/18/75/649081875.db2.gz WGFDWTRQJJDNAO-OAHLLOKOSA-N 0 1 285.453 2.632 20 30 CFEDMN C=CCN(C[C@H]1CCCS1(=O)=O)CC1CCCCC1 ZINC000929626024 649081876 /nfs/dbraw/zinc/08/18/76/649081876.db2.gz WGFDWTRQJJDNAO-OAHLLOKOSA-N 0 1 285.453 2.632 20 30 CFEDMN COC(=O)[C@@H]1CCCC[C@@H]1CN(CCC#N)CC1CC1 ZINC000929775544 649117909 /nfs/dbraw/zinc/11/79/09/649117909.db2.gz NMBNKWIPWMIZOE-HUUCEWRRSA-N 0 1 278.396 2.591 20 30 CFEDMN N#CC[C@@H](O)CN1CCCC[C@H]1c1ccc(F)cc1 ZINC000929790877 649123161 /nfs/dbraw/zinc/12/31/61/649123161.db2.gz YSQWMHNVVCAQPS-CABCVRRESA-N 0 1 262.328 2.627 20 30 CFEDMN CN(CCCCC1(C#N)CCC1)Cc1cnccn1 ZINC000929796612 649125124 /nfs/dbraw/zinc/12/51/24/649125124.db2.gz CAQYGOLROIPNMK-UHFFFAOYSA-N 0 1 258.369 2.773 20 30 CFEDMN Cc1cc(C#N)cc(C)c1CN1CCO[C@H](C)[C@H]1C ZINC000929847219 649137669 /nfs/dbraw/zinc/13/76/69/649137669.db2.gz MDPUCMSNNPEBKD-ZIAGYGMSSA-N 0 1 258.365 2.784 20 30 CFEDMN Cc1cc(C#N)cc(C)c1CN1CCCC2(C1)OCCO2 ZINC000930061680 649176169 /nfs/dbraw/zinc/17/61/69/649176169.db2.gz HNCRNBKIWPYUAF-UHFFFAOYSA-N 0 1 286.375 2.514 20 30 CFEDMN N#CC[C@@H](O)CN1CCC(F)(c2ccc(Cl)cc2)CC1 ZINC000930310208 649227577 /nfs/dbraw/zinc/22/75/77/649227577.db2.gz SVWYNUNAKLKNRA-CQSZACIVSA-N 0 1 296.773 2.875 20 30 CFEDMN CN(C)CC#CCNC(=O)Nc1cccc2ccsc21 ZINC000930517844 649265684 /nfs/dbraw/zinc/26/56/84/649265684.db2.gz ZVVZMNSUTQNMEG-UHFFFAOYSA-N 0 1 287.388 2.588 20 30 CFEDMN C[C@H]1[C@H](CO)CCCN1Cc1cc(Cl)cc(C#N)c1 ZINC000930741197 649318665 /nfs/dbraw/zinc/31/86/65/649318665.db2.gz ZITAUDIZYSCQDZ-FZMZJTMJSA-N 0 1 278.783 2.804 20 30 CFEDMN C[C@H]1CN(Cc2cc(Cl)cc(C#N)c2)C[C@@]1(C)CO ZINC000931066401 649373755 /nfs/dbraw/zinc/37/37/55/649373755.db2.gz OYLVHRXLFBWLMJ-NHYWBVRUSA-N 0 1 278.783 2.662 20 30 CFEDMN Cc1ccc(Cl)c(NC(=O)NCC#CCN(C)C)c1C ZINC000931092608 649379086 /nfs/dbraw/zinc/37/90/86/649379086.db2.gz WROLTIGXRUXYRD-UHFFFAOYSA-N 0 1 293.798 2.643 20 30 CFEDMN N#Cc1cc(Cl)cc(CN2CCC[C@H]2c2nnc[nH]2)c1 ZINC000931143880 649386433 /nfs/dbraw/zinc/38/64/33/649386433.db2.gz MCWIQBHRDIGPIB-ZDUSSCGKSA-N 0 1 287.754 2.667 20 30 CFEDMN COC(=O)[C@@H]1CCCC[C@@H]1CN(C)[C@H]1CCC[C@H]1C#N ZINC000931475153 649437042 /nfs/dbraw/zinc/43/70/42/649437042.db2.gz IRTFWAWRFIOMJT-YJNKXOJESA-N 0 1 278.396 2.590 20 30 CFEDMN C#CC[C@H]1CCN(Cc2cnc(Br)c(C)c2)C1 ZINC000931714022 649477619 /nfs/dbraw/zinc/47/76/19/649477619.db2.gz CCMIRSWJYPAHCV-LBPRGKRZSA-N 0 1 293.208 2.998 20 30 CFEDMN N#Cc1cncc(CN[C@@H]2CCc3c2cccc3F)c1 ZINC000931756921 649484583 /nfs/dbraw/zinc/48/45/83/649484583.db2.gz YTHSVTOBCJIHFS-MRXNPFEDSA-N 0 1 267.307 2.869 20 30 CFEDMN Cn1nccc1[C@H]1CCCN1Cc1ccc(C#N)cc1 ZINC000932266773 649571502 /nfs/dbraw/zinc/57/15/02/649571502.db2.gz DZFBOULYDGNGPZ-MRXNPFEDSA-N 0 1 266.348 2.629 20 30 CFEDMN C#CCN(Cc1ccnc(Br)c1)C(C)C ZINC000932387762 649591779 /nfs/dbraw/zinc/59/17/79/649591779.db2.gz KDDDYOKNJYORKP-UHFFFAOYSA-N 0 1 267.170 2.688 20 30 CFEDMN C#CCN(CCOc1ccccc1C(C)=O)C(C)C ZINC000932393725 649592595 /nfs/dbraw/zinc/59/25/95/649592595.db2.gz FJESGNTTXLZRKR-UHFFFAOYSA-N 0 1 259.349 2.612 20 30 CFEDMN Cc1cc(C#N)ccc1CN1CCC[C@@H]1C(=O)NC(C)(C)C ZINC000932435179 649599362 /nfs/dbraw/zinc/59/93/62/649599362.db2.gz RWZMJGGUCDPUKK-MRXNPFEDSA-N 0 1 299.418 2.746 20 30 CFEDMN C#CC[N@H+](Cc1nc(=O)c2sccc2[n-]1)C(C)(C)C ZINC000932464736 649606298 /nfs/dbraw/zinc/60/62/98/649606298.db2.gz KGBNZBANDTURJB-UHFFFAOYSA-N 0 1 275.377 2.631 20 30 CFEDMN C#CC[N@@H+](Cc1nc(=O)c2sccc2[n-]1)C(C)(C)C ZINC000932464736 649606304 /nfs/dbraw/zinc/60/63/04/649606304.db2.gz KGBNZBANDTURJB-UHFFFAOYSA-N 0 1 275.377 2.631 20 30 CFEDMN C#CCN(CC[S@@](=O)c1ccccc1)C(C)(C)C ZINC000932463646 649606501 /nfs/dbraw/zinc/60/65/01/649606501.db2.gz HZIBKFACBQVWQU-GOSISDBHSA-N 0 1 263.406 2.528 20 30 CFEDMN CCC#C[C@@H](C)N1CC[C@H](c2ncc(C(=O)OC)s2)C1 ZINC000932667338 649635176 /nfs/dbraw/zinc/63/51/76/649635176.db2.gz LZTOPPSYGXMQBN-NEPJUHHUSA-N 0 1 292.404 2.521 20 30 CFEDMN C#CCC1(NCc2noc3c2COCC3)CCCCC1 ZINC000933262591 649683364 /nfs/dbraw/zinc/68/33/64/649683364.db2.gz BJZXCFKMODXFSJ-UHFFFAOYSA-N 0 1 274.364 2.563 20 30 CFEDMN COCC#CCN[C@@H](C)c1cc(Cl)cc2c1OCC2 ZINC000933271287 649684257 /nfs/dbraw/zinc/68/42/57/649684257.db2.gz JVKDWQCPNZGMGW-NSHDSACASA-N 0 1 279.767 2.575 20 30 CFEDMN C#CCC1([NH2+]Cc2cc(=O)oc3cc([O-])ccc23)CCC1 ZINC000933298251 649685791 /nfs/dbraw/zinc/68/57/91/649685791.db2.gz CJAXHBWXVGFGLO-UHFFFAOYSA-N 0 1 283.327 2.534 20 30 CFEDMN Cn1cncc1CN1CCC(c2ccc(C#N)cc2)CC1 ZINC000933612976 649706437 /nfs/dbraw/zinc/70/64/37/649706437.db2.gz MNDKJVYMHMOZDI-UHFFFAOYSA-N 0 1 280.375 2.671 20 30 CFEDMN CC[C@@H](C)CN1CCO[C@H](c2ccc(C#N)cc2)C1 ZINC000933630067 649708329 /nfs/dbraw/zinc/70/83/29/649708329.db2.gz VWBBSLGXWLGKMT-CJNGLKHVSA-N 0 1 258.365 2.978 20 30 CFEDMN C[C@@H]1C[C@@H]1CN1CCO[C@H](c2ccc(C#N)cc2)C1 ZINC000933632276 649709138 /nfs/dbraw/zinc/70/91/38/649709138.db2.gz QECWCRYJHGWENU-WQVCFCJDSA-N 0 1 256.349 2.588 20 30 CFEDMN Cc1nsc(C)c1CN1CCC2(CC1)CC(=O)C=CO2 ZINC000933648389 649710024 /nfs/dbraw/zinc/71/00/24/649710024.db2.gz YNXLFEGEABRQOZ-UHFFFAOYSA-N 0 1 292.404 2.598 20 30 CFEDMN O=C1C=COC2(CCN(Cc3ccc4c(c3)COC4)CC2)C1 ZINC000933648508 649710072 /nfs/dbraw/zinc/71/00/72/649710072.db2.gz NLNPKFUYTMFZAP-UHFFFAOYSA-N 0 1 299.370 2.555 20 30 CFEDMN C[C@]12CN(Cc3nc(C#N)cs3)C[C@H]1[C@H]1CC[C@@H]2C1 ZINC000933705394 649715600 /nfs/dbraw/zinc/71/56/00/649715600.db2.gz ILWRWZGJCFQBPR-YODMDTAWSA-N 0 1 273.405 2.883 20 30 CFEDMN N#CCC[C@@H](C#N)CN[C@H]1CCOC12CCCCC2 ZINC000933876951 649728065 /nfs/dbraw/zinc/72/80/65/649728065.db2.gz PLPRTCGHCVYCCN-KBPBESRZSA-N 0 1 261.369 2.511 20 30 CFEDMN C=CC[C@H]1CCN1CC(=O)N(C)[C@@H](C)c1ccc(F)cc1 ZINC000934470708 649790634 /nfs/dbraw/zinc/79/06/34/649790634.db2.gz DYYHXEUAWMOJEP-BBRMVZONSA-N 0 1 290.382 2.996 20 30 CFEDMN C=CC[C@H]1CCN1CC(=O)N(C)[C@H](C)c1ccccc1 ZINC000934471251 649791129 /nfs/dbraw/zinc/79/11/29/649791129.db2.gz KHYGLSAPQNZDGY-ZBFHGGJFSA-N 0 1 272.392 2.856 20 30 CFEDMN C=CC[C@@H]1CCN1CC(=O)N(C)[C@H](C)c1ccccc1 ZINC000934471248 649791147 /nfs/dbraw/zinc/79/11/47/649791147.db2.gz KHYGLSAPQNZDGY-GDBMZVCRSA-N 0 1 272.392 2.856 20 30 CFEDMN C[C@@H]1CC=CC[C@H]1NCc1c(C#N)cccc1[N+](=O)[O-] ZINC000934620560 649805660 /nfs/dbraw/zinc/80/56/60/649805660.db2.gz ZWMOFLFUGJJFOL-BXUZGUMPSA-N 0 1 271.320 2.911 20 30 CFEDMN C=CCCCN(CC)CC(=O)Nc1cccnc1Cl ZINC000934648961 649811774 /nfs/dbraw/zinc/81/17/74/649811774.db2.gz YSOVZPMPLFXLMD-UHFFFAOYSA-N 0 1 281.787 2.962 20 30 CFEDMN N#Cc1ccc(CN[C@@H](c2ccncc2)C2CC2)o1 ZINC000934696549 649816443 /nfs/dbraw/zinc/81/64/43/649816443.db2.gz ANLNRCTUYSMDQE-OAHLLOKOSA-N 0 1 253.305 2.787 20 30 CFEDMN C[C@]12CSC[C@H]1CN(Cc1cccc(C#N)c1F)C2 ZINC000934770321 649828848 /nfs/dbraw/zinc/82/88/48/649828848.db2.gz KVBCDXCBMOURHO-HIFRSBDPSA-N 0 1 276.380 2.882 20 30 CFEDMN C[C@]12CSC[C@H]1CN(Cc1ccc(F)cc1C#N)C2 ZINC000934776070 649829481 /nfs/dbraw/zinc/82/94/81/649829481.db2.gz AZGMGWTZIIAMTO-HIFRSBDPSA-N 0 1 276.380 2.882 20 30 CFEDMN C=C(C)CN1CCC[C@@H](NC(=O)C2CCCCC2)C1 ZINC001006607336 651126373 /nfs/dbraw/zinc/12/63/73/651126373.db2.gz HJNXBXYMZYUKOU-OAHLLOKOSA-N 0 1 264.413 2.723 20 30 CFEDMN C=C(C)CN1CCC[C@H](NC(=O)c2cc(C)c(C)o2)C1 ZINC001007111877 651132082 /nfs/dbraw/zinc/13/20/82/651132082.db2.gz LHZAQEFJFVGSPA-AWEZNQCLSA-N 0 1 276.380 2.667 20 30 CFEDMN C=CCN1CCC[C@H](NC(=O)[C@H]2CCCC3(CC3)C2)C1 ZINC001007330085 651133445 /nfs/dbraw/zinc/13/34/45/651133445.db2.gz XFEHQSRZHMUHKE-GJZGRUSLSA-N 0 1 276.424 2.723 20 30 CFEDMN C=CCN1CCC[C@H](NC(=O)[C@@H]2CCC=CCCC2)C1 ZINC001007611534 651137525 /nfs/dbraw/zinc/13/75/25/651137525.db2.gz RTAZCHYHKCPISS-CVEARBPZSA-N 0 1 276.424 2.890 20 30 CFEDMN C=C(C)CN1CCC[C@H](NC(=O)c2ccc(CC)o2)C1 ZINC001007666551 651137759 /nfs/dbraw/zinc/13/77/59/651137759.db2.gz RQCDRNNPTWCXNM-ZDUSSCGKSA-N 0 1 276.380 2.612 20 30 CFEDMN C=CCN1CCC[C@@H](NC(=O)[C@@H]2C[C@H]2c2ccsc2)C1 ZINC001007652861 651138167 /nfs/dbraw/zinc/13/81/67/651138167.db2.gz YSXJCCXMIAKUED-QLFBSQMISA-N 0 1 290.432 2.618 20 30 CFEDMN C=CCN1CCC[C@H](NC(=O)c2cccc(C(C)C)n2)C1 ZINC001007802845 651139104 /nfs/dbraw/zinc/13/91/04/651139104.db2.gz BRFPRPHNXKBIBS-AWEZNQCLSA-N 0 1 287.407 2.585 20 30 CFEDMN C=CCN1CCC[C@@H](NC(=O)c2cc3ccc(C)cc3[nH]2)C1 ZINC001008084367 651142158 /nfs/dbraw/zinc/14/21/58/651142158.db2.gz ADXSBKGMCQRAER-OAHLLOKOSA-N 0 1 297.402 2.857 20 30 CFEDMN C=CCN1CCC[C@@H](NC(=O)c2cc(F)ccc2C)C1 ZINC001008095466 651142415 /nfs/dbraw/zinc/14/24/15/651142415.db2.gz LBETZVIFFSZJBL-CQSZACIVSA-N 0 1 276.355 2.514 20 30 CFEDMN C=CCN1CCC[C@H](NC(=O)c2ccc(F)c(C)c2)C1 ZINC001008378419 651146879 /nfs/dbraw/zinc/14/68/79/651146879.db2.gz WCYGZTNIGTXUGX-AWEZNQCLSA-N 0 1 276.355 2.514 20 30 CFEDMN C=CCN1CCC[C@H](NC(=O)c2ccc(C3CC3)nc2C)C1 ZINC001008574031 651150540 /nfs/dbraw/zinc/15/05/40/651150540.db2.gz IIJYWGSHJWVLCT-HNNXBMFYSA-N 0 1 299.418 2.648 20 30 CFEDMN C=CCN1CCC[C@@H](NC(=O)[C@@H](C)c2ccccc2F)C1 ZINC001008907356 651154498 /nfs/dbraw/zinc/15/44/98/651154498.db2.gz CKBPVKGCODEBMT-UONOGXRCSA-N 0 1 290.382 2.696 20 30 CFEDMN C=C(C)CN1CCC[C@@H](NC(=O)c2csc(C)c2)C1 ZINC001008878779 651154604 /nfs/dbraw/zinc/15/46/04/651154604.db2.gz YTKWWWDMFGXQHM-CQSZACIVSA-N 0 1 278.421 2.827 20 30 CFEDMN C=CCN1CCC[C@H](NC(=O)[C@@H](C)c2ccccc2F)C1 ZINC001008907352 651154783 /nfs/dbraw/zinc/15/47/83/651154783.db2.gz CKBPVKGCODEBMT-KBPBESRZSA-N 0 1 290.382 2.696 20 30 CFEDMN C=CCN1CCC[C@H](NC(=O)C[C@H]2CCc3ccccc32)C1 ZINC001008928485 651155448 /nfs/dbraw/zinc/15/54/48/651155448.db2.gz XPDGUNKQLSVMBZ-SJORKVTESA-N 0 1 298.430 2.873 20 30 CFEDMN C=CCN1CCC[C@H](NC(=O)Cc2coc3ccccc23)C1 ZINC001008991084 651155464 /nfs/dbraw/zinc/15/54/64/651155464.db2.gz ZCDAVHXXVNZVTK-HNNXBMFYSA-N 0 1 298.386 2.742 20 30 CFEDMN C=CCN1CCC[C@@H](NC(=O)[C@H](C)c2ccc(C)s2)C1 ZINC001009203373 651157022 /nfs/dbraw/zinc/15/70/22/651157022.db2.gz MNFNGMGYZPIBDL-ZIAGYGMSSA-N 0 1 292.448 2.927 20 30 CFEDMN C=C(C)CN1CCC[C@H](NC(=O)c2sccc2OC)C1 ZINC001009293612 651158402 /nfs/dbraw/zinc/15/84/02/651158402.db2.gz VOMUXOMZPWKFOL-LBPRGKRZSA-N 0 1 294.420 2.527 20 30 CFEDMN C=CCN1CCC[C@@H](NC(=O)c2ccc3ccccc3n2)C1 ZINC001009306943 651158845 /nfs/dbraw/zinc/15/88/45/651158845.db2.gz WSPBIRASVSCYNU-OAHLLOKOSA-N 0 1 295.386 2.615 20 30 CFEDMN C=C(C)CN1CCC[C@H](NC(=O)c2ccc(C(F)F)o2)C1 ZINC001009372090 651159142 /nfs/dbraw/zinc/15/91/42/651159142.db2.gz QBDQBMKDEJJNEA-NSHDSACASA-N 0 1 298.333 2.988 20 30 CFEDMN C=CCN1CCC[C@H](NC(=O)c2cc(C)ccc2C)C1 ZINC001009337711 651159494 /nfs/dbraw/zinc/15/94/94/651159494.db2.gz UTLTXEAVBVSZBM-HNNXBMFYSA-N 0 1 272.392 2.684 20 30 CFEDMN C=CCN1CCC[C@@H](NC(=O)Cc2sc(C)cc2C)C1 ZINC001009355083 651159756 /nfs/dbraw/zinc/15/97/56/651159756.db2.gz AOUSIMVQLJPBEU-CQSZACIVSA-N 0 1 292.448 2.674 20 30 CFEDMN C=CCN1CCC[C@H](NC(=O)c2ccc(F)cc2Cl)C1 ZINC001009403707 651160022 /nfs/dbraw/zinc/16/00/22/651160022.db2.gz UKJAQHFXFBCGBR-LBPRGKRZSA-N 0 1 296.773 2.859 20 30 CFEDMN C=CCN1CCC[C@H](NC(=O)c2c(C)cc(C)cc2C)C1 ZINC001009421814 651160816 /nfs/dbraw/zinc/16/08/16/651160816.db2.gz APLDLZHKLOHTMA-INIZCTEOSA-N 0 1 286.419 2.992 20 30 CFEDMN C=CCN1CCC[C@H](NC(=O)c2ccc3c(c2)CCC3)C1 ZINC001009478398 651161055 /nfs/dbraw/zinc/16/10/55/651161055.db2.gz VPQGSQSBCXSZGV-KRWDZBQOSA-N 0 1 284.403 2.556 20 30 CFEDMN C=CCN1CCC[C@H](NC(=O)c2cc(Cl)cn2CC)C1 ZINC001009563722 651161530 /nfs/dbraw/zinc/16/15/30/651161530.db2.gz ZCLBWXAWTFMHGF-ZDUSSCGKSA-N 0 1 295.814 2.542 20 30 CFEDMN C=CCN1CCC[C@H](NC(=O)[C@H]2CC3CCC2CC3)C1 ZINC001009634051 651162301 /nfs/dbraw/zinc/16/23/01/651162301.db2.gz IRFZNFFAABHIPZ-CKUJCDMFSA-N 0 1 276.424 2.579 20 30 CFEDMN C=CCN1CCC[C@H](NC(=O)c2ccc(C)c3c2CCC3)C1 ZINC001009656325 651163658 /nfs/dbraw/zinc/16/36/58/651163658.db2.gz HBMHPWGJWLXIEQ-HNNXBMFYSA-N 0 1 298.430 2.864 20 30 CFEDMN C=CCN1CC[C@H](NC(=O)c2nc3ccccc3cc2C)C1 ZINC001015321786 651198716 /nfs/dbraw/zinc/19/87/16/651198716.db2.gz SYKXVAOVKJTWCK-HNNXBMFYSA-N 0 1 295.386 2.533 20 30 CFEDMN C=C1CC(C)(C(=O)N[C@H]2CCN(Cc3ccsc3)C2)C1 ZINC001015676331 651209181 /nfs/dbraw/zinc/20/91/81/651209181.db2.gz JPSUUSAROGCPBZ-AWEZNQCLSA-N 0 1 290.432 2.795 20 30 CFEDMN C=CCN1CC[C@H](NC(=O)c2cccc(C(C)(C)C)c2)C1 ZINC001015886561 651217267 /nfs/dbraw/zinc/21/72/67/651217267.db2.gz DIRUJQWGOKPJGE-INIZCTEOSA-N 0 1 286.419 2.974 20 30 CFEDMN C=C(C)CN1CC[C@H](NC(=O)c2ccc3ccncc3c2)C1 ZINC001015949552 651218626 /nfs/dbraw/zinc/21/86/26/651218626.db2.gz UPAFPQALFHXTQE-KRWDZBQOSA-N 0 1 295.386 2.615 20 30 CFEDMN C=CCN1CC[C@H](NC(=O)[C@H](C)c2cc3ccccc3o2)C1 ZINC001015966902 651218640 /nfs/dbraw/zinc/21/86/40/651218640.db2.gz ROBHQRVGVDKJDF-HIFRSBDPSA-N 0 1 298.386 2.913 20 30 CFEDMN C=C(C)CN1CC[C@@H](NC(=O)c2ncsc2C(C)C)C1 ZINC001015979244 651219122 /nfs/dbraw/zinc/21/91/22/651219122.db2.gz VGWVOQDZVLWZML-GFCCVEGCSA-N 0 1 293.436 2.647 20 30 CFEDMN C=C(C)CN1CC[C@@H](NC(=O)c2c(F)cccc2Cl)C1 ZINC001016069019 651223629 /nfs/dbraw/zinc/22/36/29/651223629.db2.gz PWOSPBMNPMQCIA-LLVKDONJSA-N 0 1 296.773 2.859 20 30 CFEDMN C=CCN1CC[C@H](NC(=O)c2ccc(C(C)C)cc2)C1 ZINC001016075840 651223820 /nfs/dbraw/zinc/22/38/20/651223820.db2.gz AQTKYPJOYMXQAE-INIZCTEOSA-N 0 1 272.392 2.800 20 30 CFEDMN C=CCN1CC[C@@H](NC(=O)c2ccc(CC(C)C)cc2)C1 ZINC001016204196 651228154 /nfs/dbraw/zinc/22/81/54/651228154.db2.gz AEIGJBHWMRSANG-QGZVFWFLSA-N 0 1 286.419 2.875 20 30 CFEDMN C=CCN1CC[C@H](NC(=O)c2ccc(F)c3occc32)C1 ZINC001016296916 651229373 /nfs/dbraw/zinc/22/93/73/651229373.db2.gz IXETZTKGTAEFEM-NSHDSACASA-N 0 1 288.322 2.562 20 30 CFEDMN C=CCN1CC[C@@H](NC(=O)c2c(CC)oc3ccccc32)C1 ZINC001016343998 651230594 /nfs/dbraw/zinc/23/05/94/651230594.db2.gz BEEYSBGBIIHZCN-CYBMUJFWSA-N 0 1 298.386 2.985 20 30 CFEDMN C=CCN1CC[C@H](NC(=O)c2c[nH]c3c2cccc3CC)C1 ZINC001016340945 651230922 /nfs/dbraw/zinc/23/09/22/651230922.db2.gz GRNBEOVKTUOSAJ-AWEZNQCLSA-N 0 1 297.402 2.720 20 30 CFEDMN C=CCN1CC[C@@H](NC(=O)[C@H]2CCCCC2(C)C)C1 ZINC001016361338 651231688 /nfs/dbraw/zinc/23/16/88/651231688.db2.gz YNCAOTMJXRSOFO-ZIAGYGMSSA-N 0 1 264.413 2.579 20 30 CFEDMN C=C(C)CN1CC[C@@H](NC(=O)C2(c3ccccc3C)CC2)C1 ZINC001016410017 651233030 /nfs/dbraw/zinc/23/30/30/651233030.db2.gz DZCIOKUCBOWKNA-MRXNPFEDSA-N 0 1 298.430 2.793 20 30 CFEDMN C=CCCN1C[C@H]2CC[C@@H](C1)N2C(=O)c1cc(C)cs1 ZINC001017532961 651253140 /nfs/dbraw/zinc/25/31/40/651253140.db2.gz HXNYJDZFQINCLZ-OKILXGFUSA-N 0 1 290.432 2.921 20 30 CFEDMN C=C(C)CN1C[C@H]2CC[C@@H](C1)N2C(=O)CC1CC(F)(F)C1 ZINC001017671479 651255730 /nfs/dbraw/zinc/25/57/30/651255730.db2.gz SCNHKLYWVANGAG-OKILXGFUSA-N 0 1 298.377 2.673 20 30 CFEDMN C=CCCN1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H](C)c1ccco1 ZINC001017937891 651262706 /nfs/dbraw/zinc/26/27/06/651262706.db2.gz SYVUOGXTKMJGNG-SOUVJXGZSA-N 0 1 288.391 2.634 20 30 CFEDMN C=CCCN1C[C@H]2CC[C@@H](C1)N2C(=O)C1(C)CC(F)(F)C1 ZINC001018168548 651266355 /nfs/dbraw/zinc/26/63/55/651266355.db2.gz YJUHCOKUCNVJMZ-BETUJISGSA-N 0 1 298.377 2.673 20 30 CFEDMN C=C(C)CN1C[C@H]2CC[C@@H](C1)N2C(=O)CCc1ccccc1 ZINC001018208267 651267139 /nfs/dbraw/zinc/26/71/39/651267139.db2.gz LDBGDYWYXCHCPQ-HDICACEKSA-N 0 1 298.430 2.871 20 30 CFEDMN C=C(Cl)CN[C@H]1CCN(C(=O)CC2(C)CCCC2)C1 ZINC001018804260 651275918 /nfs/dbraw/zinc/27/59/18/651275918.db2.gz BFEYHEHSGXERBL-ZDUSSCGKSA-N 0 1 284.831 2.900 20 30 CFEDMN C=C(Cl)CN[C@H]1CCN(C(=O)[C@H]2CCCC3(CC3)C2)C1 ZINC001018843899 651276500 /nfs/dbraw/zinc/27/65/00/651276500.db2.gz UQQCONZYNJIQSO-KBPBESRZSA-N 0 1 296.842 2.900 20 30 CFEDMN C=C(Cl)CN[C@H]1CCN(C(=O)[C@]2(C)CC=CCC2)C1 ZINC001018904702 651276888 /nfs/dbraw/zinc/27/68/88/651276888.db2.gz ATHGOVPJXHCZCV-DZGCQCFKSA-N 0 1 282.815 2.676 20 30 CFEDMN N#CC(C(=O)CCC1CC1)C(=O)Nc1ccccc1 ZINC000115903771 651277703 /nfs/dbraw/zinc/27/77/03/651277703.db2.gz BVYBLKMGYVMVNB-CYBMUJFWSA-N 0 1 256.305 2.524 20 30 CFEDMN C=C(Cl)CN[C@H]1CCN(C(=O)c2csc(C)c2)C1 ZINC001019515100 651286665 /nfs/dbraw/zinc/28/66/65/651286665.db2.gz MLHIHRGKOSDBHW-LBPRGKRZSA-N 0 1 284.812 2.613 20 30 CFEDMN C=C(Cl)CN[C@H]1CCN(C(=O)c2ccc(C)cc2)C1 ZINC001019699812 651289973 /nfs/dbraw/zinc/28/99/73/651289973.db2.gz UODRHLNMWZNXDA-AWEZNQCLSA-N 0 1 278.783 2.552 20 30 CFEDMN C=CCCN1CC[C@H]1CN(C)C(=O)c1c(F)cccc1F ZINC001085944089 782210188 /nfs/dbraw/zinc/21/01/88/782210188.db2.gz ZDAWGBQBNGYYMW-LBPRGKRZSA-N 0 1 294.345 2.687 20 30 CFEDMN C=C(C)CN1CC[C@@H]1CN(C)C(=O)c1cc(F)cc(F)c1 ZINC001085961283 782220235 /nfs/dbraw/zinc/22/02/35/782220235.db2.gz BNASJMPKZRMOCJ-OAHLLOKOSA-N 0 1 294.345 2.687 20 30 CFEDMN C=CCN1CCC[C@H]1CNC(=O)c1ncsc1C(C)C ZINC001028256725 776762768 /nfs/dbraw/zinc/76/27/68/776762768.db2.gz MUPDPIPKTLJGGY-LBPRGKRZSA-N 0 1 293.436 2.647 20 30 CFEDMN C#C[C@@H]1CCC[C@H]1Oc1[nH]c(=O)nc2cccc(OC)c21 ZINC001229240842 776762978 /nfs/dbraw/zinc/76/29/78/776762978.db2.gz YRBZOYUSCRKIOX-ZYHUDNBSSA-N 0 1 284.315 2.525 20 30 CFEDMN C#CCN1CC[C@H](NC(=O)c2cccc(Cl)c2)[C@H]1CC ZINC001087806804 777703908 /nfs/dbraw/zinc/70/39/08/777703908.db2.gz AACBHTKCZHAXRW-LSDHHAIUSA-N 0 1 290.794 2.556 20 30 CFEDMN C=CCN1CC[C@@H](N(CC)C(=O)c2nccc3occc32)C1 ZINC001033903293 780820813 /nfs/dbraw/zinc/82/08/13/780820813.db2.gz GGJCZUNHTPHFQC-CYBMUJFWSA-N 0 1 299.374 2.550 20 30 CFEDMN CC#CCN1CC[C@H](N(CC)C(=O)[C@H]2CC[C@H](C)CC2)C1 ZINC001034020145 780854621 /nfs/dbraw/zinc/85/46/21/780854621.db2.gz GJQPWBUYGWATJE-ULQDDVLXSA-N 0 1 290.451 2.759 20 30 CFEDMN CC#CCN1CC[C@@H](N(CC)C(=O)[C@H]2CC[C@H](C)CC2)C1 ZINC001034020144 780855503 /nfs/dbraw/zinc/85/55/03/780855503.db2.gz GJQPWBUYGWATJE-BRWVUGGUSA-N 0 1 290.451 2.759 20 30 CFEDMN C#CCN1CC[C@H](N(CC)C(=O)[C@H]2CCCC(C)(C)C2)C1 ZINC001034050639 780867820 /nfs/dbraw/zinc/86/78/20/780867820.db2.gz OEFAAOXXHPCVSZ-HOTGVXAUSA-N 0 1 290.451 2.759 20 30 CFEDMN CCOCC1CCN(Cc2cc(F)cc(C#N)c2)CC1 ZINC001139875891 769823549 /nfs/dbraw/zinc/82/35/49/769823549.db2.gz FUHFBPYZHXDVGZ-UHFFFAOYSA-N 0 1 276.355 2.946 20 30 CFEDMN C=CCN1CCC[C@@H](NC(=O)[C@@H](CC)CC(C)C)C1 ZINC001266246015 769826352 /nfs/dbraw/zinc/82/63/52/769826352.db2.gz JGIFTPVIZZCHBO-LSDHHAIUSA-N 0 1 266.429 2.825 20 30 CFEDMN C=CCC1(C(=O)N[C@@H]2CN(CC#CC)C[C@H]2C)CCCC1 ZINC001211495028 769887967 /nfs/dbraw/zinc/88/79/67/769887967.db2.gz CFSNYSMAFNMLRQ-HZPDHXFCSA-N 0 1 288.435 2.583 20 30 CFEDMN C=C(C)CN1CC[C@H]1CNC(=O)[C@H]1CCCC(C)(C)C1 ZINC001039054736 769962688 /nfs/dbraw/zinc/96/26/88/769962688.db2.gz WELMKHZQHKMYMD-GJZGRUSLSA-N 0 1 278.440 2.969 20 30 CFEDMN N#Cc1ccc(CCN2CCC(=O)[C@H]3CCCC[C@H]32)cc1 ZINC001208921077 769965321 /nfs/dbraw/zinc/96/53/21/769965321.db2.gz XNCPMVASGXGICH-DLBZAZTESA-N 0 1 282.387 2.934 20 30 CFEDMN C=CCCCCCCN1CC[C@](O)(CF)[C@@H](F)C1 ZINC001209430790 770083862 /nfs/dbraw/zinc/08/38/62/770083862.db2.gz CUNIZOSAWRIKOY-KBPBESRZSA-N 0 1 261.356 2.867 20 30 CFEDMN CC#CCN(CC)CCNC(=O)[C@@]1(C)CCC(C)=C(C)C1 ZINC001266440203 770158082 /nfs/dbraw/zinc/15/80/82/770158082.db2.gz KMWAUJMCTRMLBD-SFHVURJKSA-N 0 1 290.451 2.974 20 30 CFEDMN COc1cc(C#N)ccc1Nc1cnc(N)cc1C ZINC001209967363 770176732 /nfs/dbraw/zinc/17/67/32/770176732.db2.gz NYKPRFFNADCBAQ-UHFFFAOYSA-N 0 1 254.293 2.596 20 30 CFEDMN C#CCN1CCC[C@H]1CNC(=O)[C@@H](C)CCC(C)(C)C ZINC001266488907 770202830 /nfs/dbraw/zinc/20/28/30/770202830.db2.gz RXTLLCWTUHVWFW-GJZGRUSLSA-N 0 1 278.440 2.663 20 30 CFEDMN CC#CCN(CCNC(=O)[C@H]1CCCC[C@@H]1CC)C1CC1 ZINC001266615960 770440547 /nfs/dbraw/zinc/44/05/47/770440547.db2.gz WQRBLUXSFBOUPE-RDJZCZTQSA-N 0 1 290.451 2.807 20 30 CFEDMN Cn1cncc1Nc1c(Br)cccc1C#N ZINC001211250368 770465308 /nfs/dbraw/zinc/46/53/08/770465308.db2.gz IWOIIVXPLRXVEQ-UHFFFAOYSA-N 0 1 277.125 2.798 20 30 CFEDMN COc1cnccc1Nc1c(C)ccc(C)c1C#N ZINC001211265669 770472308 /nfs/dbraw/zinc/47/23/08/770472308.db2.gz YAUOCSOKLSATSJ-UHFFFAOYSA-N 0 1 253.305 2.744 20 30 CFEDMN C=C(Cl)CNCCN(C)C(=O)[C@@H]1CCC[C@@H](C)C1 ZINC001266820324 770644642 /nfs/dbraw/zinc/64/46/42/770644642.db2.gz UXDIMXDNXOZSLR-DGCLKSJQSA-N 0 1 272.820 2.613 20 30 CFEDMN C=CC(C)(C)CC(=O)N[C@@H](C)[C@@H]1CCCN(CCF)C1 ZINC001266889399 770716853 /nfs/dbraw/zinc/71/68/53/770716853.db2.gz DGUWDVQRJCMSDQ-UONOGXRCSA-N 0 1 284.419 2.775 20 30 CFEDMN CCCC1(C(=O)NC[C@@H](C)NCC#Cc2ccccc2)CC1 ZINC001266969584 770779030 /nfs/dbraw/zinc/77/90/30/770779030.db2.gz CCPJVNJKKIDAJZ-MRXNPFEDSA-N 0 1 298.430 2.713 20 30 CFEDMN N#Cc1ccc(Nc2cc(O)c(F)c(F)c2)c(N)c1 ZINC001213361436 770812617 /nfs/dbraw/zinc/81/26/17/770812617.db2.gz ONQCIMMSGKGQGH-UHFFFAOYSA-N 0 1 261.231 2.868 20 30 CFEDMN CC(C)(C)c1cc(Nc2nnccc2C#N)ccn1 ZINC001213164095 770982621 /nfs/dbraw/zinc/98/26/21/770982621.db2.gz IBVHSWZUOHJLLE-UHFFFAOYSA-N 0 1 253.309 2.784 20 30 CFEDMN Cc1cc(NC2CC2)nc(NCc2ccccc2C#N)n1 ZINC001167632241 773201121 /nfs/dbraw/zinc/20/11/21/773201121.db2.gz STQYAPZZAXNKBL-UHFFFAOYSA-N 0 1 279.347 2.843 20 30 CFEDMN Cc1cc(NCc2ccccc2C#N)nc2[nH]cnc21 ZINC001167634614 773202968 /nfs/dbraw/zinc/20/29/68/773202968.db2.gz XNFQPIWTKSZMMS-UHFFFAOYSA-N 0 1 263.304 2.750 20 30 CFEDMN C#CCC[N@H+](C)CCNC(=O)c1ccc(CCCC)cc1 ZINC001267205812 773208783 /nfs/dbraw/zinc/20/87/83/773208783.db2.gz APXXEQWLCMFTMJ-UHFFFAOYSA-N 0 1 286.419 2.714 20 30 CFEDMN C=C(Cl)CN(CCCNC(=O)c1ccoc1)C(C)C ZINC001267231970 773234286 /nfs/dbraw/zinc/23/42/86/773234286.db2.gz TVKLFOWSLWQWSX-UHFFFAOYSA-N 0 1 284.787 2.862 20 30 CFEDMN C=CC(C)(C)CC(=O)NC[C@@H]1CCCN1C[C@@H](F)CC ZINC001267267952 775126048 /nfs/dbraw/zinc/12/60/48/775126048.db2.gz USLOOIWTQHUSBT-KBPBESRZSA-N 0 1 284.419 2.917 20 30 CFEDMN C#CCN1CCC[C@@H]1CNC(=O)CCCCCC(C)C ZINC001267279224 775146221 /nfs/dbraw/zinc/14/62/21/775146221.db2.gz ZZYMKCKOMFXQOT-MRXNPFEDSA-N 0 1 278.440 2.807 20 30 CFEDMN Cc1cccc(CN(C)Cc2cncc(C#N)c2)c1 ZINC000721545196 775147481 /nfs/dbraw/zinc/14/74/81/775147481.db2.gz QWMOAYDIJPTNOR-UHFFFAOYSA-N 0 1 251.333 2.894 20 30 CFEDMN CC#CCN(CCNC(=O)C1(C2CCC2)CCC1)C1CC1 ZINC001267330631 775211665 /nfs/dbraw/zinc/21/16/65/775211665.db2.gz HCRUKIMNLUWLGU-UHFFFAOYSA-N 0 1 288.435 2.561 20 30 CFEDMN C#CCCN1CC[C@@H]1CNC(=O)c1c(C)oc2ccccc21 ZINC001038285275 775228433 /nfs/dbraw/zinc/22/84/33/775228433.db2.gz YVXPYLMCRMBMTJ-CQSZACIVSA-N 0 1 296.370 2.569 20 30 CFEDMN C#CCN[C@H](CNC(=O)C[C@H](C)CC)c1ccccc1 ZINC001267358131 775244784 /nfs/dbraw/zinc/24/47/84/775244784.db2.gz XFLWVGQHFSXLMG-GDBMZVCRSA-N 0 1 272.392 2.503 20 30 CFEDMN C#CCN[C@@H](CNC(=O)[C@@]1(C)CC=CCC1)c1ccccc1 ZINC001267362523 775252863 /nfs/dbraw/zinc/25/28/63/775252863.db2.gz RYMJWCOPTDWBOC-HKUYNNGSSA-N 0 1 296.414 2.813 20 30 CFEDMN C=C1O[C@@H](CC)C(=O)C1OCCCc1ccncc1 ZINC001224949192 775313895 /nfs/dbraw/zinc/31/38/95/775313895.db2.gz ZIFUSTFZSOYUQK-ZDUSSCGKSA-N 0 1 261.321 2.640 20 30 CFEDMN C[C@@H](c1ccccn1)N1CCC[C@@H](OCC2(C#N)CC2)C1 ZINC001224948783 775314397 /nfs/dbraw/zinc/31/43/97/775314397.db2.gz RSODOALCQZGQDB-LSDHHAIUSA-N 0 1 285.391 2.927 20 30 CFEDMN C=C[C@@](C)(CC)C(=O)N(C)CCNCc1ncccc1C ZINC001267424351 775320631 /nfs/dbraw/zinc/32/06/31/775320631.db2.gz LOSDKVULMFIANH-KRWDZBQOSA-N 0 1 289.423 2.540 20 30 CFEDMN CC#CCN[C@H](CNC(=O)[C@@H]1C[C@H]1CC)c1ccccc1 ZINC001267523904 775420908 /nfs/dbraw/zinc/42/09/08/775420908.db2.gz YYLBJAWILFUTAA-DJIMGWMZSA-N 0 1 284.403 2.503 20 30 CFEDMN C#CCN[C@H](CNC(=O)C1CCC=CCC1)c1ccccc1 ZINC001267525414 775422010 /nfs/dbraw/zinc/42/20/10/775422010.db2.gz LWLFIDMJBKFQTL-GOSISDBHSA-N 0 1 296.414 2.813 20 30 CFEDMN C#CCN1CCCC[C@H]1CNC(=O)[C@@H]1CCCC(C)(C)C1 ZINC001024818723 775428998 /nfs/dbraw/zinc/42/89/98/775428998.db2.gz HISTVQQQZHJKIC-CVEARBPZSA-N 0 1 290.451 2.807 20 30 CFEDMN C#CCN1CCCC[C@@H]1CNC(=O)c1cccc(C2CC2)c1 ZINC001024817366 775429069 /nfs/dbraw/zinc/42/90/69/775429069.db2.gz YHZLANSSBFYNKE-GOSISDBHSA-N 0 1 296.414 2.782 20 30 CFEDMN C=CCN1CC[C@@H]2CCN(C(=O)c3occc3Cl)C[C@H]21 ZINC001042221804 775498862 /nfs/dbraw/zinc/49/88/62/775498862.db2.gz MRGHOANERDGLFT-DGCLKSJQSA-N 0 1 294.782 2.655 20 30 CFEDMN C=C(Cl)CNCCNC(=O)c1coc2ccc(F)cc21 ZINC001149270927 775550048 /nfs/dbraw/zinc/55/00/48/775550048.db2.gz PSYYJWNDBHOIRG-UHFFFAOYSA-N 0 1 296.729 2.644 20 30 CFEDMN C=C(Cl)CN1CCC[C@@H]1[C@@H]1CCCCN1C(C)=O ZINC001025178764 775555806 /nfs/dbraw/zinc/55/58/06/775555806.db2.gz HKGQMJLJIDEPPY-KGLIPLIRSA-N 0 1 270.804 2.604 20 30 CFEDMN C=C(Cl)CN1CCC[C@@H]1[C@H]1CCCCN1C(=O)C1CC1 ZINC001025182579 775556348 /nfs/dbraw/zinc/55/63/48/775556348.db2.gz FTPOHMFZXVOIBR-HUUCEWRRSA-N 0 1 296.842 2.994 20 30 CFEDMN CC#CC[N@@H+]1CCC[C@@H]1[C@H]1CCCCN1C(=O)/C(C)=C\C ZINC001025215741 775571651 /nfs/dbraw/zinc/57/16/51/775571651.db2.gz CGKNHZOFQSBNCR-PACMQTEUSA-N 0 1 288.435 2.821 20 30 CFEDMN C=C1O[C@@H](C)C(=O)C1Oc1ccc(F)c(F)c1F ZINC001225951820 775646077 /nfs/dbraw/zinc/64/60/77/775646077.db2.gz SRRWJMLBJQBXDL-YFKPBYRVSA-N 0 1 258.195 2.702 20 30 CFEDMN C=C[C@]1(C)CC[C@@H](C(C)(C)Oc2nc(C)cc(=O)[nH]2)O1 ZINC001226155894 775718699 /nfs/dbraw/zinc/71/86/99/775718699.db2.gz HNLSFSSBZCNHIM-XHDPSFHLSA-N 0 1 278.352 2.772 20 30 CFEDMN C=CCC[C@@H](C)N1CC(NC(=O)[C@](C)(C=C)CC)C1 ZINC001267659589 775757716 /nfs/dbraw/zinc/75/77/16/775757716.db2.gz XVZCEIYMLBWBCP-CZUORRHYSA-N 0 1 264.413 2.744 20 30 CFEDMN C=C[C@@H](CC(=O)OC(C)(C)C)Oc1n[nH]c2ncccc21 ZINC001226303326 775774910 /nfs/dbraw/zinc/77/49/10/775774910.db2.gz UFVMAWNQUNMAQB-JTQLQIEISA-N 0 1 289.335 2.623 20 30 CFEDMN C=CCCCCCN1C[C@@H]2C[C@H]1CN2C(=O)[C@@H](C)SC ZINC001267703119 775790444 /nfs/dbraw/zinc/79/04/44/775790444.db2.gz RUIXQHMQZVSJLF-ILXRZTDVSA-N 0 1 296.480 2.769 20 30 CFEDMN CCCCCCCN1C[C@@H]2C[C@H]1CN2C(=O)C#CC(C)C ZINC001267707005 775795839 /nfs/dbraw/zinc/79/58/39/775795839.db2.gz XEMUKFGZABQQAQ-IRXDYDNUSA-N 0 1 290.451 2.901 20 30 CFEDMN C=C1CCC(C(=O)N[C@@H]2[C@H]3CN(C/C=C\Cl)C[C@H]32)CC1 ZINC001026012753 775799318 /nfs/dbraw/zinc/79/93/18/775799318.db2.gz KUWZMJPJBNSJGB-PWGAIJPKSA-N 0 1 294.826 2.532 20 30 CFEDMN CC(C)CN(CCC#N)C[C@@H]1CC[C@H](C(F)(F)F)O1 ZINC000721381163 775807525 /nfs/dbraw/zinc/80/75/25/775807525.db2.gz BWMHWZZVDIIALY-NWDGAFQWSA-N 0 1 278.318 2.968 20 30 CFEDMN C=CCCC(=O)NC1CCN(Cc2cccc(F)c2)CC1 ZINC001226527768 775861202 /nfs/dbraw/zinc/86/12/02/775861202.db2.gz NSIPMPKCYHVVGW-UHFFFAOYSA-N 0 1 290.382 2.873 20 30 CFEDMN C=CCN1CC[C@@H](NC(=O)CCc2cccc(Cl)c2)C1 ZINC001267746811 775869109 /nfs/dbraw/zinc/86/91/09/775869109.db2.gz XPOYPTUJAIBSIS-OAHLLOKOSA-N 0 1 292.810 2.649 20 30 CFEDMN C#CCN1CC[C@H](N(C)C(=O)CC[C@@H](C)c2ccccc2)C1 ZINC001267774070 775913563 /nfs/dbraw/zinc/91/35/63/775913563.db2.gz TYFQVFIEABXACQ-AEFFLSMTSA-N 0 1 298.430 2.736 20 30 CFEDMN C=C1O[C@H](CC)C(=O)C1Oc1nc2ccc(F)cc2[nH]1 ZINC001226702301 775928098 /nfs/dbraw/zinc/92/80/98/775928098.db2.gz ZHYUZVJRZFKLHP-LLVKDONJSA-N 0 1 276.267 2.690 20 30 CFEDMN C=CCCCCCCN1CCc2cc(C(N)=O)[nH]c2C1 ZINC001277150970 775939594 /nfs/dbraw/zinc/93/95/94/775939594.db2.gz BPWFRGHCYZSIJU-UHFFFAOYSA-N 0 1 275.396 2.608 20 30 CFEDMN CC#CC[C@@H](CC)Oc1nc(=O)[nH]c(C)c1Br ZINC001226788500 775965084 /nfs/dbraw/zinc/96/50/84/775965084.db2.gz WNEJVIMQARWYBQ-SECBINFHSA-N 0 1 299.168 2.824 20 30 CFEDMN C=CC[C@@H](Oc1n[nH]c(=O)cc1Br)C(C)C ZINC001226850818 775990609 /nfs/dbraw/zinc/99/06/09/775990609.db2.gz WXGWRIPYZKZUTL-SECBINFHSA-N 0 1 287.157 2.924 20 30 CFEDMN C#CCSc1nc(-c2ccc(Br)cc2)n[nH]1 ZINC000675047218 775991369 /nfs/dbraw/zinc/99/13/69/775991369.db2.gz LQEQOORKIDXKNN-UHFFFAOYSA-N 0 1 294.177 2.960 20 30 CFEDMN C=C(C)C[C@H](Oc1[nH]c(=O)nc2cnccc21)C(=C)C ZINC001226975962 776043726 /nfs/dbraw/zinc/04/37/26/776043726.db2.gz GAKLHWAPOROIEN-ZDUSSCGKSA-N 0 1 271.320 2.608 20 30 CFEDMN C=C(Cl)CNC[C@H]1CCCN1C(=O)[C@]1(C)C=CCC1 ZINC001267960851 776122617 /nfs/dbraw/zinc/12/26/17/776122617.db2.gz OUXVEOIQXWYSCZ-UKRRQHHQSA-N 0 1 282.815 2.676 20 30 CFEDMN C=C[C@](C)(CC)C(=O)N1CCC[C@@H]1CNCC(=C)Cl ZINC001267964398 776130698 /nfs/dbraw/zinc/13/06/98/776130698.db2.gz ROMJJIWPHSXCQA-UKRRQHHQSA-N 0 1 284.831 2.922 20 30 CFEDMN N#Cc1cc(Cl)ccc1O[C@H]1CN2CCC1CC2 ZINC001227205483 776138248 /nfs/dbraw/zinc/13/82/48/776138248.db2.gz KXAVYQMZLXVEGQ-AWEZNQCLSA-N 0 1 262.740 2.685 20 30 CFEDMN CCOC(=O)[C@H]1CC[C@H](Oc2nc3ccc(C#N)cc3[nH]2)C1 ZINC001227219510 776141733 /nfs/dbraw/zinc/14/17/33/776141733.db2.gz LURIZVYPPSNACS-RYUDHWBXSA-N 0 1 299.330 2.545 20 30 CFEDMN C=C(C)C(=O)OC[C@@H](C)Oc1nc2cccc(C)c2[nH]1 ZINC001227267576 776164599 /nfs/dbraw/zinc/16/45/99/776164599.db2.gz FNMASLPPHYODRB-LLVKDONJSA-N 0 1 274.320 2.758 20 30 CFEDMN C=C[C@@H](Oc1[nH]c(=O)nc2[nH]ccc21)c1ccccc1 ZINC001227275186 776167978 /nfs/dbraw/zinc/16/79/78/776167978.db2.gz VUMJVLJPVHJMPY-GFCCVEGCSA-N 0 1 267.288 2.970 20 30 CFEDMN N#Cc1ccccc1CN1CC[C@H](Oc2ccc(O)cc2)C1 ZINC001227442659 776205185 /nfs/dbraw/zinc/20/51/85/776205185.db2.gz PQRPGGDIISSTEQ-SFHVURJKSA-N 0 1 294.354 2.917 20 30 CFEDMN C=C[C@@]1(C)CC[C@@H](Oc2ncnc3nc[nH]c32)C(C)(C)O1 ZINC001227534204 776222975 /nfs/dbraw/zinc/22/29/75/776222975.db2.gz LHNFENFVIBNDMX-BMIGLBTASA-N 0 1 288.351 2.634 20 30 CFEDMN C#CCN1CCC(NC(=O)CCC[C@@H](C)CCC)CC1 ZINC001227562634 776229055 /nfs/dbraw/zinc/22/90/55/776229055.db2.gz VILWAQOCXBMIKD-HNNXBMFYSA-N 0 1 278.440 2.807 20 30 CFEDMN CCCCCCCN1CC[C@@H]2C[C@@]21C(=O)NCC(F)F ZINC001277225939 776247143 /nfs/dbraw/zinc/24/71/43/776247143.db2.gz ZXBDRNMRVKQAJO-DOMZBBRYSA-N 0 1 288.382 2.803 20 30 CFEDMN C#C[C@H](Oc1nc(=O)[nH]c2c1COC2)[C@H](CC)CCCC ZINC001227690665 776259456 /nfs/dbraw/zinc/25/94/56/776259456.db2.gz NRHKVYYORYRNNP-RISCZKNCSA-N 0 1 290.363 2.809 20 30 CFEDMN C#C[C@H](CCCCC)Oc1nc(=O)[nH]c2c1CO[C@H]2C ZINC001227709837 776265054 /nfs/dbraw/zinc/26/50/54/776265054.db2.gz HDCSOEYDCZWEHK-WDEREUQCSA-N 0 1 276.336 2.734 20 30 CFEDMN C=CC[C@H](CCC)Oc1nc(=O)[nH]c2c1CO[C@H]2C ZINC001227713832 776266925 /nfs/dbraw/zinc/26/69/25/776266925.db2.gz QUKHKKJXAGWMBD-VHSXEESVSA-N 0 1 264.325 2.897 20 30 CFEDMN C=CCN1CCC[C@H](NC(=O)c2cccc3c2CCC3)C1 ZINC001009698689 776331104 /nfs/dbraw/zinc/33/11/04/776331104.db2.gz RPTACAVYPVRRTB-HNNXBMFYSA-N 0 1 284.403 2.556 20 30 CFEDMN C=C[C@@]1(C)CC[C@@H](C(C)(C)OCc2cnc[nH]2)O1 ZINC001223000049 776410760 /nfs/dbraw/zinc/41/07/60/776410760.db2.gz KBLNXRHETRIRHT-JSGCOSHPSA-N 0 1 250.342 2.829 20 30 CFEDMN C=C[C@H](CC)Oc1[nH]c(=O)nc2cc([N+](=O)[O-])ccc21 ZINC001228242904 776431775 /nfs/dbraw/zinc/43/17/75/776431775.db2.gz SBRRXYDUZHTQKW-SECBINFHSA-N 0 1 275.264 2.587 20 30 CFEDMN C=CC[C@H](C=C)Oc1[nH]c(=O)nc2cc([N+](=O)[O-])ccc21 ZINC001228244971 776431876 /nfs/dbraw/zinc/43/18/76/776431876.db2.gz NGYANAFZZYIVMJ-JTQLQIEISA-N 0 1 287.275 2.753 20 30 CFEDMN CC#CCN1CCC[C@@H]1CNC(=O)[C@H]1CCCC2(CC2)C1 ZINC001027882353 776489305 /nfs/dbraw/zinc/48/93/05/776489305.db2.gz MJKSGWRWQFHUSC-JKSUJKDBSA-N 0 1 288.435 2.561 20 30 CFEDMN C=CCN1CCC[C@@H]1CNC(=O)c1sccc1Cl ZINC001027898990 776499500 /nfs/dbraw/zinc/49/95/00/776499500.db2.gz SSCZNPNPKLDZOL-SNVBAGLBSA-N 0 1 284.812 2.782 20 30 CFEDMN C#CCC[N@@H+]1CCC[C@H]1CNC(=O)c1sccc1Cl ZINC001027899128 776499532 /nfs/dbraw/zinc/49/95/32/776499532.db2.gz XUEBLWOQMRBZOR-NSHDSACASA-N 0 1 296.823 2.619 20 30 CFEDMN C#CCCN1CCC[C@H]1CNC(=O)c1sccc1Cl ZINC001027899128 776499538 /nfs/dbraw/zinc/49/95/38/776499538.db2.gz XUEBLWOQMRBZOR-NSHDSACASA-N 0 1 296.823 2.619 20 30 CFEDMN C=CCN1CCC[C@H]1CNC(=O)c1ccc2occc2c1 ZINC001027898359 776499733 /nfs/dbraw/zinc/49/97/33/776499733.db2.gz GLLDYPXMUGZFMP-HNNXBMFYSA-N 0 1 284.359 2.813 20 30 CFEDMN CN1[C@@H]2CC[C@H]1C[C@H](Oc1cccc3c1C(=O)C=CC3=O)C2 ZINC001228470463 776500247 /nfs/dbraw/zinc/50/02/47/776500247.db2.gz MCFRFTLYSJVNGK-CLLJXQQHSA-N 0 1 297.354 2.626 20 30 CFEDMN C=CC(C)(C)C(=O)NC1CCN(CCC(F)(F)F)CC1 ZINC001228631953 776546250 /nfs/dbraw/zinc/54/62/50/776546250.db2.gz YJQHIWDANFSRAY-UHFFFAOYSA-N 0 1 292.345 2.732 20 30 CFEDMN C=CCN1CCC[C@@H]1CNC(=O)c1cc(F)ccc1CC ZINC001027996167 776546481 /nfs/dbraw/zinc/54/64/81/776546481.db2.gz FRUHCVVVBUCAQK-OAHLLOKOSA-N 0 1 290.382 2.768 20 30 CFEDMN C[C@@H](CC(C)(C)S)Oc1ccc2[nH]nnc2c1 ZINC001228662893 776557144 /nfs/dbraw/zinc/55/71/44/776557144.db2.gz NLKMXRQAOCBYBC-QMMMGPOBSA-N 0 1 251.355 2.824 20 30 CFEDMN C=C(C)CN1CCC[C@H]1CNC(=O)c1ncc(Cl)s1 ZINC001028024747 776562398 /nfs/dbraw/zinc/56/23/98/776562398.db2.gz SQMVSCYBCZFFFP-JTQLQIEISA-N 0 1 299.827 2.567 20 30 CFEDMN C=CCN1CCC[C@@H]1CNC(=O)c1cc2ccsc2[nH]1 ZINC001028059915 776576862 /nfs/dbraw/zinc/57/68/62/776576862.db2.gz JMNHAJKWGCNADR-GFCCVEGCSA-N 0 1 289.404 2.610 20 30 CFEDMN C=C(C)CN1CCC[C@@H]1CNC(=O)c1cc(OC)cs1 ZINC001028066459 776581828 /nfs/dbraw/zinc/58/18/28/776581828.db2.gz YMXOPPSKDZADHZ-GFCCVEGCSA-N 0 1 294.420 2.527 20 30 CFEDMN Cc1cc(NC2CC2)nc(N[C@H]2CC[C@H](C#N)CC2)n1 ZINC001167841108 776604626 /nfs/dbraw/zinc/60/46/26/776604626.db2.gz OKIQPGNKSYHNLI-AULYBMBSSA-N 0 1 271.368 2.854 20 30 CFEDMN CCC1=C(Oc2cc3c(cc2O)CCC3=O)C(=O)[C@@H](C)O1 ZINC001228854766 776635464 /nfs/dbraw/zinc/63/54/64/776635464.db2.gz VZOJRIMRUZCHNC-MRVPVSSYSA-N 0 1 288.299 2.509 20 30 CFEDMN CC#CC[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)[C@@H](C)CCC ZINC001277339486 776650450 /nfs/dbraw/zinc/65/04/50/776650450.db2.gz FCGQSWUEYHSZGJ-XHSDSOJGSA-N 0 1 276.424 2.511 20 30 CFEDMN CC#CCN1CC[C@H]2CC[C@@H](C1)N2C(=O)[C@@H](C)CCC ZINC001277339486 776650453 /nfs/dbraw/zinc/65/04/53/776650453.db2.gz FCGQSWUEYHSZGJ-XHSDSOJGSA-N 0 1 276.424 2.511 20 30 CFEDMN C=CCCCC(=O)NC1CCN(C/C=C/Cl)CC1 ZINC001228912097 776656142 /nfs/dbraw/zinc/65/61/42/776656142.db2.gz KZBWCBPHLHXQKD-WEVVVXLNSA-N 0 1 270.804 2.676 20 30 CFEDMN C=C(C)CN1CCC[C@H](NC(=O)C(CC)CC)C1 ZINC001268158547 776660033 /nfs/dbraw/zinc/66/00/33/776660033.db2.gz SJZNKXALZDMUPQ-AWEZNQCLSA-N 0 1 252.402 2.579 20 30 CFEDMN C=CCN1CCC[C@@H]1CNC(=O)c1ccc(C)c(F)c1F ZINC001028154501 776666646 /nfs/dbraw/zinc/66/66/46/776666646.db2.gz LFEZBPKATYNAFC-GFCCVEGCSA-N 0 1 294.345 2.653 20 30 CFEDMN C=CCN1CCC[C@@H]1CNC(=O)c1ccc(Cl)c(F)c1 ZINC001028159903 776671355 /nfs/dbraw/zinc/67/13/55/776671355.db2.gz LHCNIPFENYZUMX-GFCCVEGCSA-N 0 1 296.773 2.859 20 30 CFEDMN C=C[C@](C)(CC)C(=O)NC1CCN(C/C=C/Cl)CC1 ZINC001229017489 776690359 /nfs/dbraw/zinc/69/03/59/776690359.db2.gz TYONNRFGCOOANA-RZIFZGNASA-N 0 1 284.831 2.922 20 30 CFEDMN C=CCN1CCC[C@@H]1CNC(=O)c1ccc2cccnc2c1 ZINC001028210121 776711368 /nfs/dbraw/zinc/71/13/68/776711368.db2.gz LTSKSKQODFLAPX-MRXNPFEDSA-N 0 1 295.386 2.615 20 30 CFEDMN C=CCCCN1CC(NC(=O)C2=CCCCCC2)C1 ZINC001268280953 776735306 /nfs/dbraw/zinc/73/53/06/776735306.db2.gz PCFJYIPYDBZMST-UHFFFAOYSA-N 0 1 262.397 2.644 20 30 CFEDMN C#CCN1CCC[C@@H]1CNC(=O)c1cccc2ccsc21 ZINC001028241785 776743742 /nfs/dbraw/zinc/74/37/42/776743742.db2.gz UEBJVKCYAYSEIQ-CQSZACIVSA-N 0 1 298.411 2.729 20 30 CFEDMN C=C[C@H](Oc1nc(C)[nH]c(=O)c1[N+](=O)[O-])c1ccccc1 ZINC001229378139 776795759 /nfs/dbraw/zinc/79/57/59/776795759.db2.gz HQIPGVJFGMXESG-NSHDSACASA-N 0 1 287.275 2.705 20 30 CFEDMN C=CCN1CCC[C@H]1CNC(=O)c1c(F)cccc1Cl ZINC001028281135 776804038 /nfs/dbraw/zinc/80/40/38/776804038.db2.gz FAKCCLGZRDGAQP-NSHDSACASA-N 0 1 296.773 2.859 20 30 CFEDMN Cc1nc2[nH]cnc2c(O[C@H](CC#N)c2ccccc2)n1 ZINC001229438622 776811590 /nfs/dbraw/zinc/81/15/90/776811590.db2.gz QSNYSEOMWFLOIQ-GFCCVEGCSA-N 0 1 279.303 2.695 20 30 CFEDMN C=C(C)CCC(=O)N(CC)CCNCc1ccccc1C#N ZINC001268451198 776826020 /nfs/dbraw/zinc/82/60/20/776826020.db2.gz FZRBLBIIQOTWFM-UHFFFAOYSA-N 0 1 299.418 2.853 20 30 CFEDMN C=C(Cl)CNCCN(CC)C(=O)[C@@H]1CC[C@H]2C[C@H]2C1 ZINC001268460812 776844851 /nfs/dbraw/zinc/84/48/51/776844851.db2.gz WFLPIMJVPHGBML-MJBXVCDLSA-N 0 1 284.831 2.613 20 30 CFEDMN C=CCN1CCC[C@@H]1CNC(=O)c1cc(C)c(C)s1 ZINC001028307767 776850809 /nfs/dbraw/zinc/85/08/09/776850809.db2.gz ORZNTDFIUBZUOI-CYBMUJFWSA-N 0 1 278.421 2.745 20 30 CFEDMN C#CCN1CCC(NC(=O)[C@@H](C)[C@H](C)C(C)(C)C)CC1 ZINC001229584010 776852017 /nfs/dbraw/zinc/85/20/17/776852017.db2.gz ROLHRIFBQJPRCV-KBPBESRZSA-N 0 1 278.440 2.519 20 30 CFEDMN C=C(C)CN1CCC[C@@H]1CNC(=O)c1nc(C)c(C)s1 ZINC001028324732 776855619 /nfs/dbraw/zinc/85/56/19/776855619.db2.gz XQBJIKMZMPDKSE-CYBMUJFWSA-N 0 1 293.436 2.530 20 30 CFEDMN C=CC(C)(C)C(=O)N(CC)CCNCC=C(Cl)Cl ZINC001268470624 776858690 /nfs/dbraw/zinc/85/86/90/776858690.db2.gz XTNIDCOYJCAGJV-UHFFFAOYSA-N 0 1 293.238 2.956 20 30 CFEDMN C=CCC[C@@H](C)N1CC(NC(=O)[C@@H]2C[C@H]2c2ccccc2)C1 ZINC001268474983 776864295 /nfs/dbraw/zinc/86/42/95/776864295.db2.gz SVGIAYLVDDKSND-FHLIZLRMSA-N 0 1 298.430 2.945 20 30 CFEDMN C=CCC[C@H](C)N1CC(NC(=O)c2cccn2C(C)C)C1 ZINC001268484682 776882563 /nfs/dbraw/zinc/88/25/63/776882563.db2.gz LFDTXPMFHILPQJ-AWEZNQCLSA-N 0 1 289.423 2.838 20 30 CFEDMN CC#CCN1CCC[C@@H](NC(=O)CC(C)(C)C2CC2)[C@@H]1C ZINC001284124548 776898219 /nfs/dbraw/zinc/89/82/19/776898219.db2.gz WLMMFKYYDKLMFI-GOEBONIOSA-N 0 1 290.451 2.805 20 30 CFEDMN CC#CCN1CCC(NC(=O)CCC2CCCCC2)CC1 ZINC001230175934 776956730 /nfs/dbraw/zinc/95/67/30/776956730.db2.gz PHNYRWYWPHWDDD-UHFFFAOYSA-N 0 1 290.451 2.951 20 30 CFEDMN C=C(C)[C@@H]1CC[C@H](C)C[C@H]1Oc1nc(C(=O)OC)c[n-]1 ZINC001230282025 776971393 /nfs/dbraw/zinc/97/13/93/776971393.db2.gz NXYQACHTQLWUKC-GMXVVIOVSA-N 0 1 278.352 2.956 20 30 CFEDMN C=C(C)[C@@H]1CC[C@H](C)C[C@H]1Oc1nc(C(=O)OC)c[nH]1 ZINC001230282025 776971396 /nfs/dbraw/zinc/97/13/96/776971396.db2.gz NXYQACHTQLWUKC-GMXVVIOVSA-N 0 1 278.352 2.956 20 30 CFEDMN N#C[C@@H]1CC[C@@H](Oc2cc3[nH]ncc3cc2[N+](=O)[O-])C1 ZINC001230595682 777022319 /nfs/dbraw/zinc/02/23/19/777022319.db2.gz MOYPUGVZMNMXJL-PSASIEDQSA-N 0 1 272.264 2.542 20 30 CFEDMN CC#C[C@H](CC)Oc1[nH]c(=O)nc2ccc(OC)cc21 ZINC001230861875 777076448 /nfs/dbraw/zinc/07/64/48/777076448.db2.gz GWBRWPDUTGJRGW-JTQLQIEISA-N 0 1 272.304 2.525 20 30 CFEDMN C=CC[C@@H](C=C)Oc1[nH]c(=O)nc2cc(F)ccc21 ZINC001230884800 777081976 /nfs/dbraw/zinc/08/19/76/777081976.db2.gz SBCOYRAGGLNVTJ-SNVBAGLBSA-N 0 1 260.268 2.984 20 30 CFEDMN C=CCN1CC[C@H](NC(=O)CCCc2sccc2C)C1 ZINC001269088121 777100506 /nfs/dbraw/zinc/10/05/06/777100506.db2.gz PWXDRMMULRGLPI-AWEZNQCLSA-N 0 1 292.448 2.756 20 30 CFEDMN CCC(=O)NCCCN(C)CC#Cc1ccccc1Cl ZINC001230969187 777104391 /nfs/dbraw/zinc/10/43/91/777104391.db2.gz HSFIZPBWYPDUSQ-UHFFFAOYSA-N 0 1 292.810 2.540 20 30 CFEDMN Cc1cc[nH]c2nc(O[C@@H](C#N)c3ccccc3)nc1-2 ZINC001231056322 777127488 /nfs/dbraw/zinc/12/74/88/777127488.db2.gz MEXYGSKRRSGJQF-LBPRGKRZSA-N 0 1 264.288 2.910 20 30 CFEDMN C#C[C@@H]1CCC[C@H]1Oc1[nH]c(=O)nc2cccc(F)c21 ZINC001231074087 777133194 /nfs/dbraw/zinc/13/31/94/777133194.db2.gz KQTGBAUPXDQMGP-BXKDBHETSA-N 0 1 272.279 2.655 20 30 CFEDMN C=C(C)CN1CC[C@H]1CN(C)C(=O)[C@H](C)CCC ZINC001231262220 777179633 /nfs/dbraw/zinc/17/96/33/777179633.db2.gz CZBGQIVYDPXYBA-KGLIPLIRSA-N 0 1 252.402 2.531 20 30 CFEDMN C=CCC(CC=C)C(=O)N(CC)[C@H]1CCN(CC=C)C1 ZINC001269330641 777172761 /nfs/dbraw/zinc/17/27/61/777172761.db2.gz JLTJMKQWRVHRDF-INIZCTEOSA-N 0 1 276.424 2.864 20 30 CFEDMN C#Cc1ccc(C(=O)NC[C@H](CC)NCC(=C)Cl)cc1 ZINC001269447396 777191150 /nfs/dbraw/zinc/19/11/50/777191150.db2.gz AKOKZERWZMQISY-HNNXBMFYSA-N 0 1 290.794 2.518 20 30 CFEDMN CC#CC[C@H](CC)Oc1[nH]c(=O)nc2c(OC)cccc21 ZINC001231347443 777197371 /nfs/dbraw/zinc/19/73/71/777197371.db2.gz LIKGORZMFPMNAI-NSHDSACASA-N 0 1 286.331 2.915 20 30 CFEDMN CC#CCN1CC[C@H]2CC[C@@H](C1)N2C(=O)CC(C)(C)CC ZINC001269592379 777218409 /nfs/dbraw/zinc/21/84/09/777218409.db2.gz ADMYGJKRJBOYLK-CVEARBPZSA-N 0 1 290.451 2.901 20 30 CFEDMN N#CCC[N@H+](Cc1ccc(C(=O)[O-])cc1O)C1CCCC1 ZINC001231451727 777223862 /nfs/dbraw/zinc/22/38/62/777223862.db2.gz SHGBAALFOAQQCZ-UHFFFAOYSA-N 0 1 288.347 2.749 20 30 CFEDMN N#CC[C@@H]1CCC[N@@H+](Cc2cc(C(=O)[O-])ccc2F)C1 ZINC001231459038 777225518 /nfs/dbraw/zinc/22/55/18/777225518.db2.gz RMNSCGHXHUJSHO-NSHDSACASA-N 0 1 276.311 2.650 20 30 CFEDMN N#CC[C@@H]1CCC[N@H+](Cc2cc(C(=O)[O-])ccc2F)C1 ZINC001231459038 777225527 /nfs/dbraw/zinc/22/55/27/777225527.db2.gz RMNSCGHXHUJSHO-NSHDSACASA-N 0 1 276.311 2.650 20 30 CFEDMN C=C(C)CCN1CC(N(C)C(=O)CCCCC)C1 ZINC001269751782 777241060 /nfs/dbraw/zinc/24/10/60/777241060.db2.gz TUACUQZQKBAXCD-UHFFFAOYSA-N 0 1 252.402 2.676 20 30 CFEDMN C=CCOC(=O)[C@@H](Nc1cc2[nH]cnc2cn1)[C@@H](C)CC ZINC001167954878 777245641 /nfs/dbraw/zinc/24/56/41/777245641.db2.gz GBOVZDCWBMWZQT-HZMBPMFUSA-N 0 1 288.351 2.514 20 30 CFEDMN C=CCOC(=O)[C@@H](Nc1cccc2[nH]nnc21)[C@@H](C)CC ZINC001167957101 777265885 /nfs/dbraw/zinc/26/58/85/777265885.db2.gz CDFZHLTVKZBPJK-GWCFXTLKSA-N 0 1 288.351 2.514 20 30 CFEDMN C[C@@H](C#N)N(C)Cc1n[nH]c2cc(Br)ccc21 ZINC001231615816 777279806 /nfs/dbraw/zinc/27/98/06/777279806.db2.gz QMRRBJTWGDWGOS-QMMMGPOBSA-N 0 1 293.168 2.669 20 30 CFEDMN CCOc1ccc(CN2CCC[C@@H](C#N)CC2)cn1 ZINC001231654524 777293869 /nfs/dbraw/zinc/29/38/69/777293869.db2.gz PXOMBGCCGRAYCU-CYBMUJFWSA-N 0 1 259.353 2.606 20 30 CFEDMN C=CCCCN1CC(N(C)C(=O)c2cccc(C)c2)C1 ZINC001277547395 777297848 /nfs/dbraw/zinc/29/78/48/777297848.db2.gz CVYTXWQEHLTBQR-UHFFFAOYSA-N 0 1 272.392 2.717 20 30 CFEDMN C=C1O[C@H](C)C(=O)C1Oc1cnc(Cl)c(C)c1 ZINC001225826335 777300601 /nfs/dbraw/zinc/30/06/01/777300601.db2.gz YLCYHVMMOBMTQP-SSDOTTSWSA-N 0 1 253.685 2.642 20 30 CFEDMN N#CC[C@H]1CCCN(Cc2cc3cc[nH]c3cn2)C1 ZINC001231668652 777303743 /nfs/dbraw/zinc/30/37/43/777303743.db2.gz CUHISKFCLWIXAS-GFCCVEGCSA-N 0 1 254.337 2.689 20 30 CFEDMN C#C[C@@H]1CCCN(Cc2cccnc2OC(C)C)C1 ZINC001231760080 777327213 /nfs/dbraw/zinc/32/72/13/777327213.db2.gz CJTSTNYFOATVSJ-CQSZACIVSA-N 0 1 258.365 2.714 20 30 CFEDMN C=C1O[C@@H](CC)C(=O)C1Oc1ccc([N+](=O)[O-])c(F)c1 ZINC001225916819 777335631 /nfs/dbraw/zinc/33/56/31/777335631.db2.gz WHEAFDWCPBWQNM-NSHDSACASA-N 0 1 281.239 2.722 20 30 CFEDMN N#C[C@H]1CCCCN1Cc1cccc(Cl)c1O ZINC001231912259 777364441 /nfs/dbraw/zinc/36/44/41/777364441.db2.gz BFZUJULYPOGSEO-LLVKDONJSA-N 0 1 250.729 2.924 20 30 CFEDMN CC#CC[N@H+]1CC[C@H](CNC(=O)[C@H]2CCCC(C)(C)C2)C1 ZINC001029009949 777377080 /nfs/dbraw/zinc/37/70/80/777377080.db2.gz WSKSEQTWOZCZEN-CVEARBPZSA-N 0 1 290.451 2.664 20 30 CFEDMN C=CC(C)(C)CC(=O)N1CC[C@H]2CC[C@@H](C1)N2CCF ZINC001270483636 777392839 /nfs/dbraw/zinc/39/28/39/777392839.db2.gz HDBRUOVQMUFJMX-KGLIPLIRSA-N 0 1 282.403 2.624 20 30 CFEDMN C=C(C)CCC(=O)N[C@@]1(C)CCN(Cc2cccnc2)C1 ZINC001270590196 777416450 /nfs/dbraw/zinc/41/64/50/777416450.db2.gz NEUKKGDNSBMASN-KRWDZBQOSA-N 0 1 287.407 2.519 20 30 CFEDMN N#Cc1ccc(CN2CCC[C@](F)(CO)CC2)cc1Cl ZINC001232111178 777442826 /nfs/dbraw/zinc/44/28/26/777442826.db2.gz BCMFGGWOOCGBGK-OAHLLOKOSA-N 0 1 296.773 2.898 20 30 CFEDMN Cc1cc(=O)[nH]c(O[C@H](CC#N)c2ccccc2)n1 ZINC001226159586 777462152 /nfs/dbraw/zinc/46/21/52/777462152.db2.gz QZOBCXBXPUJAHR-GFCCVEGCSA-N 0 1 255.277 2.524 20 30 CFEDMN C=CCCCN1CC(N(C)C(=O)[C@H]2CCC2(C)C)C1 ZINC001277643583 777509554 /nfs/dbraw/zinc/50/95/54/777509554.db2.gz FJJHZVNZQQWYGC-CQSZACIVSA-N 0 1 264.413 2.531 20 30 CFEDMN COc1ccc(CN(C)Cc2ccc(C#N)cc2)c(C)n1 ZINC001232332728 777524620 /nfs/dbraw/zinc/52/46/20/777524620.db2.gz IBHZOEXGDVFMOW-UHFFFAOYSA-N 0 1 281.359 2.902 20 30 CFEDMN Cc1ccccc1CN(C)Cc1cc(C#N)ccn1 ZINC001232480741 777576459 /nfs/dbraw/zinc/57/64/59/777576459.db2.gz IOEWKZQESNKIJY-UHFFFAOYSA-N 0 1 251.333 2.894 20 30 CFEDMN COc1cccc2c1C[N@H+](Cc1cc(C#N)ccc1[O-])C2 ZINC001232677726 777639030 /nfs/dbraw/zinc/63/90/30/777639030.db2.gz IISMHYGKMAIEKV-UHFFFAOYSA-N 0 1 280.327 2.788 20 30 CFEDMN COc1cccc2c1C[N@@H+](Cc1cc(C#N)ccc1[O-])C2 ZINC001232677726 777639034 /nfs/dbraw/zinc/63/90/34/777639034.db2.gz IISMHYGKMAIEKV-UHFFFAOYSA-N 0 1 280.327 2.788 20 30 CFEDMN N#Cc1ccc([O-])c(C[N@@H+](C2CCC2)C2CCOCC2)c1 ZINC001232680741 777641010 /nfs/dbraw/zinc/64/10/10/777641010.db2.gz GYLUHHVKOLHTLY-UHFFFAOYSA-N 0 1 286.375 2.797 20 30 CFEDMN C#CCN1CC[C@H](NC(=O)c2occc2C(C)C)[C@H]1CC ZINC001087698736 777683061 /nfs/dbraw/zinc/68/30/61/777683061.db2.gz KFTZBTHDXARYML-LSDHHAIUSA-N 0 1 288.391 2.619 20 30 CFEDMN C#CCN1CC[C@H](NC(=O)c2ccc(CCC)cc2)[C@H]1CC ZINC001087706894 777683804 /nfs/dbraw/zinc/68/38/04/777683804.db2.gz QUJKTWVIRXJANQ-ZWKOTPCHSA-N 0 1 298.430 2.855 20 30 CFEDMN CC#CCN1CC[C@H](NC(=O)[C@@]23C[C@@H]2CCCC3)[C@H]1CC ZINC001087714935 777686183 /nfs/dbraw/zinc/68/61/83/777686183.db2.gz LDBZLKHQDHRJPJ-CUSZFKRNSA-N 0 1 288.435 2.559 20 30 CFEDMN C#CCN1CC[C@H](NC(=O)c2c(C)cccc2C)[C@H]1CC ZINC001087736418 777689568 /nfs/dbraw/zinc/68/95/68/777689568.db2.gz PLBKNMGOPJPZDQ-JKSUJKDBSA-N 0 1 284.403 2.519 20 30 CFEDMN C#C[C@H](Oc1nc(Cl)nc2[nH]ncc21)c1ccccc1 ZINC000328381713 777701032 /nfs/dbraw/zinc/70/10/32/777701032.db2.gz HHZLXNJNBAVSBI-NSHDSACASA-N 0 1 284.706 2.760 20 30 CFEDMN C#CCN1CC[C@H](NC(=O)c2ccc(C)cc2C)[C@H]1CC ZINC001087817340 777705697 /nfs/dbraw/zinc/70/56/97/777705697.db2.gz KZDCJQNPIJZYJL-DLBZAZTESA-N 0 1 284.403 2.519 20 30 CFEDMN CC#CCN1CC[C@H](NC(=O)c2ccc(C)c(C)c2)[C@H]1CC ZINC001087818060 777706084 /nfs/dbraw/zinc/70/60/84/777706084.db2.gz YVBWBEAPEARHOA-ZWKOTPCHSA-N 0 1 298.430 2.909 20 30 CFEDMN N#CCCN1CCN(Cc2ccccc2-n2cccc2)CC1 ZINC001232911408 777718152 /nfs/dbraw/zinc/71/81/52/777718152.db2.gz TVAQAKDQZOUOKB-UHFFFAOYSA-N 0 1 294.402 2.509 20 30 CFEDMN C[C@H]1CCN(Cc2cccc(C#N)n2)CCC1(F)F ZINC001232921662 777721207 /nfs/dbraw/zinc/72/12/07/777721207.db2.gz BPIKZIXHOLPFGD-NSHDSACASA-N 0 1 265.307 2.820 20 30 CFEDMN C=CCN1C[C@@H]2CCN(C(=O)c3sccc3Cl)[C@@H]2C1 ZINC001075822487 777721827 /nfs/dbraw/zinc/72/18/27/777721827.db2.gz UKEDMCUGFNRSPK-CMPLNLGQSA-N 0 1 296.823 2.734 20 30 CFEDMN Cc1ccc(CN2CC[C@@]3(CCCO3)C2)c(C#N)c1 ZINC001232963433 777740578 /nfs/dbraw/zinc/74/05/78/777740578.db2.gz GVKTULXVNNHGTP-INIZCTEOSA-N 0 1 256.349 2.622 20 30 CFEDMN COC[C@H]1CCCCN1Cc1ccc(C)cc1C#N ZINC001232963580 777741597 /nfs/dbraw/zinc/74/15/97/777741597.db2.gz KAWWWWZRXCQZEW-MRXNPFEDSA-N 0 1 258.365 2.868 20 30 CFEDMN Cc1ccc(C[N@H+]2CCC[C@@H]2C(C)(C)O)c(C#N)c1 ZINC001232967484 777742658 /nfs/dbraw/zinc/74/26/58/777742658.db2.gz NPRXBMCYDSPPOM-OAHLLOKOSA-N 0 1 258.365 2.602 20 30 CFEDMN Cc1ccc(CN2CCc3ccc(=O)[nH]c3CC2)c(C#N)c1 ZINC001232967825 777744448 /nfs/dbraw/zinc/74/44/48/777744448.db2.gz XUVBAMQBOXZGPI-UHFFFAOYSA-N 0 1 293.370 2.568 20 30 CFEDMN Cc1ccc(CN2CCC(c3ccn(C)n3)CC2)c(C#N)c1 ZINC001232968054 777745159 /nfs/dbraw/zinc/74/51/59/777745159.db2.gz BVWWMXMMVJZAIE-UHFFFAOYSA-N 0 1 294.402 2.980 20 30 CFEDMN C=CC[N@H+](C)Cc1c([O-])cc(Br)cc1F ZINC001233031632 777770659 /nfs/dbraw/zinc/77/06/59/777770659.db2.gz JDHIHRXJSWLFHS-UHFFFAOYSA-N 0 1 274.133 2.912 20 30 CFEDMN C=CCCC(=O)N(C)C[C@@H](C)NCc1nc(C)c(C)s1 ZINC001277770662 777809186 /nfs/dbraw/zinc/80/91/86/777809186.db2.gz GYEFAXXQKLQDLR-LLVKDONJSA-N 0 1 295.452 2.663 20 30 CFEDMN C#C[C@H](N[C@H](C)c1ccc(OC)cc1C)[C@@H]1CCCO1 ZINC000840746812 777838809 /nfs/dbraw/zinc/83/88/09/777838809.db2.gz RHALWAJFJZHXNZ-COXVUDFISA-N 0 1 273.376 2.835 20 30 CFEDMN CC#CCN[C@@H](CNC(=O)C(C)C)c1ccccc1CC ZINC001271437167 777849216 /nfs/dbraw/zinc/84/92/16/777849216.db2.gz FYFAZNBTXOUZBB-KRWDZBQOSA-N 0 1 286.419 2.675 20 30 CFEDMN COCOc1cccc(CN2CCC(C)(C#N)CC2)c1 ZINC001233282655 777864465 /nfs/dbraw/zinc/86/44/65/777864465.db2.gz ZQAQWNMGRFOEEY-UHFFFAOYSA-N 0 1 274.364 2.795 20 30 CFEDMN C#CCN(CC#C)Cc1cc(C(C)(C)C)ccc1O ZINC001233287083 777867544 /nfs/dbraw/zinc/86/75/44/777867544.db2.gz VUWUMKHIOBOFAK-UHFFFAOYSA-N 0 1 255.361 2.758 20 30 CFEDMN N#Cc1ccc(C[N@H+]2CCC(=O)[C@H]3CCCC[C@@H]32)c([O-])c1 ZINC001233383417 777926271 /nfs/dbraw/zinc/92/62/71/777926271.db2.gz HJKNPOJVLDXKIJ-GJZGRUSLSA-N 0 1 284.359 2.597 20 30 CFEDMN C=CCN(CC=C)Cc1ccc(C(=O)OC)c(OC)c1 ZINC001233525466 777977666 /nfs/dbraw/zinc/97/76/66/777977666.db2.gz DLBJGWLRUFXQJQ-UHFFFAOYSA-N 0 1 275.348 2.656 20 30 CFEDMN C=CCc1ccc(O[C@H]2C[C@@H]3CC(=O)C[C@H]2[N@H+]3C)cc1 ZINC001233595792 778005342 /nfs/dbraw/zinc/00/53/42/778005342.db2.gz UPTLEMZMAMDMBF-XKQJLSEDSA-N 0 1 271.360 2.598 20 30 CFEDMN C=CCc1ccc(O[C@H]2C[C@@H]3CC(=O)C[C@H]2N3C)cc1 ZINC001233595792 778005354 /nfs/dbraw/zinc/00/53/54/778005354.db2.gz UPTLEMZMAMDMBF-XKQJLSEDSA-N 0 1 271.360 2.598 20 30 CFEDMN C#CCCCC(=O)N(C)C[C@H]1CCN1Cc1cccc(C)c1 ZINC001233946920 778118939 /nfs/dbraw/zinc/11/89/39/778118939.db2.gz FSORQEHBOVIPBW-GOSISDBHSA-N 0 1 298.430 2.831 20 30 CFEDMN C=C(C)C[N@@H+]1CC[C@@H]1CN(C)C(=O)[C@@H](C)CCCC ZINC001234040186 778147372 /nfs/dbraw/zinc/14/73/72/778147372.db2.gz UOSHBUVTCLBEDA-LSDHHAIUSA-N 0 1 266.429 2.922 20 30 CFEDMN C=C(C)CN1CC[C@@H]1CN(C)C(=O)[C@@H](C)CCCC ZINC001234040186 778147373 /nfs/dbraw/zinc/14/73/73/778147373.db2.gz UOSHBUVTCLBEDA-LSDHHAIUSA-N 0 1 266.429 2.922 20 30 CFEDMN Cc1ccccc1CN1CC[C@@H]1CN(C)C(=O)C#CC(C)C ZINC001234117799 778169927 /nfs/dbraw/zinc/16/99/27/778169927.db2.gz CYOYPKLBIOJRRQ-GOSISDBHSA-N 0 1 298.430 2.687 20 30 CFEDMN CC[C@@H](C)C(=O)NCCCN(C)Cc1ccc(C#N)s1 ZINC001234125742 778172383 /nfs/dbraw/zinc/17/23/83/778172383.db2.gz BCNDCDUFXYPUGM-GFCCVEGCSA-N 0 1 293.436 2.604 20 30 CFEDMN C=C(C)CC[N@@H+]1CC[C@H]1CN(C)C(=O)[C@@H](OCC)C(C)C ZINC001234246434 778193082 /nfs/dbraw/zinc/19/30/82/778193082.db2.gz NSMIQGJDDHFUJU-HOTGVXAUSA-N 0 1 296.455 2.546 20 30 CFEDMN CCC[C@H](C)Oc1[nH]c(=O)nc2cccc(C#N)c21 ZINC001234511403 778241330 /nfs/dbraw/zinc/24/13/30/778241330.db2.gz PDTWWMKZKVMJGR-VIFPVBQESA-N 0 1 257.293 2.774 20 30 CFEDMN C#C[C@H](CC(C)C)Oc1[nH]c(=O)nc2cccc(C#N)c21 ZINC001234513445 778241485 /nfs/dbraw/zinc/24/14/85/778241485.db2.gz KWFOAWPPVUYKJG-GFCCVEGCSA-N 0 1 281.315 2.634 20 30 CFEDMN CC(C)(CC(=O)NCCNCC#Cc1ccccc1)C1CC1 ZINC001126716181 778243992 /nfs/dbraw/zinc/24/39/92/778243992.db2.gz BTROHUYDMOIZRK-UHFFFAOYSA-N 0 1 298.430 2.570 20 30 CFEDMN C=C[C@@H](CCC)Oc1[nH]c(=O)nc2ccc(C#N)cc21 ZINC001234530259 778245371 /nfs/dbraw/zinc/24/53/71/778245371.db2.gz JOBIACMWTCAURW-NSHDSACASA-N 0 1 269.304 2.941 20 30 CFEDMN N#Cc1cc(Nc2cnc(N3CCCC3)nc2)c(O)cc1F ZINC001211936437 778286142 /nfs/dbraw/zinc/28/61/42/778286142.db2.gz QJAPTDGJMYWQSG-UHFFFAOYSA-N 0 1 299.309 2.537 20 30 CFEDMN C=CCC(C)(C)C(=O)NC1CCN(C/C=C/Cl)CC1 ZINC001229369407 778300635 /nfs/dbraw/zinc/30/06/35/778300635.db2.gz NIAIWYVIEDMSTN-WEVVVXLNSA-N 0 1 284.831 2.922 20 30 CFEDMN ON=Cc1ccccc1OC[C@H]1COc2cscc2O1 ZINC001234820243 778301211 /nfs/dbraw/zinc/30/12/11/778301211.db2.gz SOKNFQORFOFSES-NSHDSACASA-N 0 1 291.328 2.775 20 30 CFEDMN C#CCCN1CC[C@H](NC(=O)c2sccc2Cl)[C@H]1C ZINC001088585470 778304642 /nfs/dbraw/zinc/30/46/42/778304642.db2.gz ZARYPQKKEFDWOF-PWSUYJOCSA-N 0 1 296.823 2.617 20 30 CFEDMN CC#CCN1CC[C@H](NC(=O)c2csc(C)c2C)[C@H]1C ZINC001088590762 778310498 /nfs/dbraw/zinc/31/04/98/778310498.db2.gz UOSDYVCMQPCXRP-DOMZBBRYSA-N 0 1 290.432 2.581 20 30 CFEDMN CC#CCN(C)CCN(C)C(=O)c1cccc(C2CC2)c1 ZINC001272178701 778368284 /nfs/dbraw/zinc/36/82/84/778368284.db2.gz OTOPXZFVOCBDGX-UHFFFAOYSA-N 0 1 284.403 2.591 20 30 CFEDMN C#CCN(C)CCN(C)C(=O)c1ccccc1CC(C)C ZINC001272185776 778369911 /nfs/dbraw/zinc/36/99/11/778369911.db2.gz SGFFTYLGQLYRAC-UHFFFAOYSA-N 0 1 286.419 2.522 20 30 CFEDMN C=C(C)C(=O)N(Cc1cnc[nH]1)Cc1ccccc1 ZINC001142511748 778396812 /nfs/dbraw/zinc/39/68/12/778396812.db2.gz UNZINTGZIJONFC-UHFFFAOYSA-N 0 1 255.321 2.515 20 30 CFEDMN C=C(C)CN1CC[C@@H]1CN(C)C(=O)C1(CC(C)C)CC1 ZINC001235193596 778409433 /nfs/dbraw/zinc/40/94/33/778409433.db2.gz RYTPJPDPNMBPFS-OAHLLOKOSA-N 0 1 278.440 2.922 20 30 CFEDMN CC(C)N1CC(Nc2cccc(C3(C#N)CCOCC3)c2)C1 ZINC001168317505 778428234 /nfs/dbraw/zinc/42/82/34/778428234.db2.gz OWVKLBZPDJYZOV-UHFFFAOYSA-N 0 1 299.418 2.763 20 30 CFEDMN C=CCN1CC[C@H](NC(=O)c2cc(C)sc2C)[C@H]1C ZINC001088714976 778452254 /nfs/dbraw/zinc/45/22/54/778452254.db2.gz MXTUNBLWCVLETM-RISCZKNCSA-N 0 1 278.421 2.744 20 30 CFEDMN C=CCN1CC[C@H](NC(=O)c2ccc(CC)s2)[C@H]1C ZINC001088714799 778452301 /nfs/dbraw/zinc/45/23/01/778452301.db2.gz CERFHYCJCLSINE-YPMHNXCESA-N 0 1 278.421 2.689 20 30 CFEDMN CCCCCCCCOCC(=O)N(C)C[C@H]1CCN1CC ZINC001235375441 778470829 /nfs/dbraw/zinc/47/08/29/778470829.db2.gz JZWHVZMTYLWCAT-MRXNPFEDSA-N 0 1 298.471 2.916 20 30 CFEDMN C=CCCN1CC[C@H]1CNC(=O)c1cc(Cl)ccc1F ZINC001038485347 778475723 /nfs/dbraw/zinc/47/57/23/778475723.db2.gz NVEOYOGLSONNNL-LBPRGKRZSA-N 0 1 296.773 2.859 20 30 CFEDMN COc1cncc(CN2CCC[C@@H](C#N)CC2)c1C ZINC001235463883 778498417 /nfs/dbraw/zinc/49/84/17/778498417.db2.gz LCDZMHGGTLFUBI-CYBMUJFWSA-N 0 1 259.353 2.524 20 30 CFEDMN CC(C)N(C)CC(=O)Nc1ccc([C@@H](C)C#N)cc1 ZINC001142588101 778513097 /nfs/dbraw/zinc/51/30/97/778513097.db2.gz JJMXSUZCULYVGT-LBPRGKRZSA-N 0 1 259.353 2.592 20 30 CFEDMN C=CCC(C)(C)C(=O)N(C)C[C@@H](C)NCc1cnc(C)o1 ZINC001277953840 778517987 /nfs/dbraw/zinc/51/79/87/778517987.db2.gz HCTXUARZPJAGOL-GFCCVEGCSA-N 0 1 293.411 2.522 20 30 CFEDMN N#C[C@H]1CCCN(Cc2nc3ccc(F)cc3[nH]2)CC1 ZINC001235697777 778542416 /nfs/dbraw/zinc/54/24/16/778542416.db2.gz TYJKJSIZYGOAQQ-NSHDSACASA-N 0 1 272.327 2.828 20 30 CFEDMN C=CCN1CC[C@@H]1CN(C)C(=O)Cc1ccccc1CC ZINC001235777574 778557539 /nfs/dbraw/zinc/55/75/39/778557539.db2.gz LIPKRKNLBQJCGY-QGZVFWFLSA-N 0 1 286.419 2.510 20 30 CFEDMN CCCCCCCN1CC(OC2CCN(C(C)=O)CC2)C1 ZINC001105680211 778559431 /nfs/dbraw/zinc/55/94/31/778559431.db2.gz XKAKOVMMGPUJLH-UHFFFAOYSA-N 0 1 296.455 2.669 20 30 CFEDMN C=C(C)C[N@H+]1C[C@@H]2CCN(C(=O)[C@H]3CCC3(C)C)[C@@H]2C1 ZINC001076153698 778572855 /nfs/dbraw/zinc/57/28/55/778572855.db2.gz JNFVUDRYJCWORG-RRFJBIMHSA-N 0 1 276.424 2.531 20 30 CFEDMN C=CC[N@@H+]1C[C@@H]2CCN(C(=O)c3coc(C(F)F)c3)[C@@H]2C1 ZINC001076182692 778574434 /nfs/dbraw/zinc/57/44/34/778574434.db2.gz RJOUXZHOZYGEKH-CMPLNLGQSA-N 0 1 296.317 2.550 20 30 CFEDMN C=CCN1C[C@@H]2CCN(C(=O)c3coc(C(F)F)c3)[C@@H]2C1 ZINC001076182692 778574437 /nfs/dbraw/zinc/57/44/37/778574437.db2.gz RJOUXZHOZYGEKH-CMPLNLGQSA-N 0 1 296.317 2.550 20 30 CFEDMN C=C(C)CN1C[C@@H]2CCN(C(=O)c3occc3Cl)[C@@H]2C1 ZINC001076211060 778576190 /nfs/dbraw/zinc/57/61/90/778576190.db2.gz OKRSKQFGAIUMDL-WCQYABFASA-N 0 1 294.782 2.655 20 30 CFEDMN COc1nc(-c2c(F)cc(F)c(O)c2F)ccc1C#N ZINC001235983705 778639644 /nfs/dbraw/zinc/63/96/44/778639644.db2.gz GOTMYMJWHORSSD-UHFFFAOYSA-N 0 1 280.205 2.752 20 30 CFEDMN N#CCOc1ccc(-c2c(F)cc(F)c(O)c2F)nc1 ZINC001235993793 778645153 /nfs/dbraw/zinc/64/51/53/778645153.db2.gz OZKTUTGBCOYKCD-UHFFFAOYSA-N 0 1 280.205 2.774 20 30 CFEDMN N#CCc1ccncc1-c1c(F)cc(F)c(O)c1F ZINC001236001942 778649290 /nfs/dbraw/zinc/64/92/90/778649290.db2.gz GPYUFBCQFSROGE-UHFFFAOYSA-N 0 1 264.206 2.938 20 30 CFEDMN N#Cc1ccc(CN2CCC[C@@]23CCOC3)cc1Cl ZINC001232116181 778900064 /nfs/dbraw/zinc/90/00/64/778900064.db2.gz JCERBTAUXFKKRG-HNNXBMFYSA-N 0 1 276.767 2.967 20 30 CFEDMN C=CCN(CC=C)Cc1cc(OC)cc(C(=O)OC)c1 ZINC001236769398 778930466 /nfs/dbraw/zinc/93/04/66/778930466.db2.gz MORHJWMZCGNCBF-UHFFFAOYSA-N 0 1 275.348 2.656 20 30 CFEDMN COC(=O)c1cc(F)cc(CN2CCC(S)CC2)c1 ZINC001236781383 778933789 /nfs/dbraw/zinc/93/37/89/778933789.db2.gz IMUUIAUHJHJRPB-UHFFFAOYSA-N 0 1 283.368 2.507 20 30 CFEDMN C=C(C)CCN1CC(NC(=O)c2cn(C)c3ccccc23)C1 ZINC001030626172 778936652 /nfs/dbraw/zinc/93/66/52/778936652.db2.gz VJLVNEJLUARHDU-UHFFFAOYSA-N 0 1 297.402 2.559 20 30 CFEDMN C#CCN1CC[C@H](NC(=O)C(C)(C)C2CCCCC2)[C@H]1C ZINC001088908099 778943664 /nfs/dbraw/zinc/94/36/64/778943664.db2.gz HHNCYYMJMYQCPL-ZBFHGGJFSA-N 0 1 290.451 2.805 20 30 CFEDMN C#CC1CC[NH+](Cc2c([O-])cc(OC)cc2Cl)CC1 ZINC001236808045 778948066 /nfs/dbraw/zinc/94/80/66/778948066.db2.gz MTOJIDLYERFKGG-UHFFFAOYSA-N 0 1 279.767 2.899 20 30 CFEDMN C=C(C)C[N@@H+]1CC[C@H](NC(=O)c2c(F)cccc2F)[C@H]1C ZINC001089001372 778973722 /nfs/dbraw/zinc/97/37/22/778973722.db2.gz FBBKVDHLHZGWAC-RISCZKNCSA-N 0 1 294.345 2.734 20 30 CFEDMN C=C(C)CN1CC[C@H](NC(=O)c2c(F)cccc2F)[C@H]1C ZINC001089001372 778973727 /nfs/dbraw/zinc/97/37/27/778973727.db2.gz FBBKVDHLHZGWAC-RISCZKNCSA-N 0 1 294.345 2.734 20 30 CFEDMN CC(C)c1nc(CCN(C)Cc2ccc(C#N)s2)no1 ZINC001232842188 778983059 /nfs/dbraw/zinc/98/30/59/778983059.db2.gz NKFVFJQOLXDNFT-UHFFFAOYSA-N 0 1 290.392 2.801 20 30 CFEDMN C=CCN1CC[C@H](NC(=O)c2cccc3c2CCC3)[C@H]1C ZINC001089070521 778986446 /nfs/dbraw/zinc/98/64/46/778986446.db2.gz JLQSILQERYMNCY-DYVFJYSZSA-N 0 1 284.403 2.554 20 30 CFEDMN CC#CCN1CC[C@H](NC(=O)c2ccoc2C(C)C)[C@H]1C ZINC001089070048 778987246 /nfs/dbraw/zinc/98/72/46/778987246.db2.gz MCNICSHXIXJYNZ-HIFRSBDPSA-N 0 1 288.391 2.619 20 30 CFEDMN CCCCCCC/C=C/CN1CC2(C[C@@H]2C(N)=O)C1 ZINC001278037289 778990464 /nfs/dbraw/zinc/99/04/64/778990464.db2.gz NKMGGUPYLWZLAL-MYSGNRETSA-N 0 1 264.413 2.710 20 30 CFEDMN COc1cccc2c(CN3CCC(C#N)CC3)ccnc12 ZINC001237114022 779015556 /nfs/dbraw/zinc/01/55/56/779015556.db2.gz USJWPQDYYZMTEQ-UHFFFAOYSA-N 0 1 281.359 2.979 20 30 CFEDMN N#CC(C(=O)Nc1ccc(F)c(Cl)c1)C(=O)C1CCC1 ZINC000130113110 779037023 /nfs/dbraw/zinc/03/70/23/779037023.db2.gz GGTJDZQMGRTEKK-SNVBAGLBSA-N 0 1 294.713 2.927 20 30 CFEDMN C=C1CCC(C(=O)NC2CN(CC(CC)CC)C2)CC1 ZINC001030903692 779089909 /nfs/dbraw/zinc/08/99/09/779089909.db2.gz RPYGZKWZQRCIRQ-UHFFFAOYSA-N 0 1 278.440 2.969 20 30 CFEDMN C=C1CC(C)(C(=O)NC2CN(CC3CCCCC3)C2)C1 ZINC001030925976 779105810 /nfs/dbraw/zinc/10/58/10/779105810.db2.gz UCRPINWNNVWEOI-UHFFFAOYSA-N 0 1 276.424 2.723 20 30 CFEDMN CSc1cc(C(=O)Nc2cc(C#N)ccc2O)ccn1 ZINC000176397037 779122437 /nfs/dbraw/zinc/12/24/37/779122437.db2.gz MZMSMYQMSKRSSQ-UHFFFAOYSA-N 0 1 285.328 2.633 20 30 CFEDMN N#Cc1cc(CN2CCC3(C2)CCOCC3)c(F)cc1F ZINC001237525288 779126923 /nfs/dbraw/zinc/12/69/23/779126923.db2.gz CPEAWODXLYYFID-UHFFFAOYSA-N 0 1 292.329 2.839 20 30 CFEDMN C=CCOCC[N@@H+]1CC[C@@H]1CN(C)C(=O)[C@@H](C)CCCC ZINC001234051781 779128510 /nfs/dbraw/zinc/12/85/10/779128510.db2.gz WCAMVPHLOVTAKW-JKSUJKDBSA-N 0 1 296.455 2.548 20 30 CFEDMN C=CCOCCN1CC[C@@H]1CN(C)C(=O)[C@@H](C)CCCC ZINC001234051781 779128512 /nfs/dbraw/zinc/12/85/12/779128512.db2.gz WCAMVPHLOVTAKW-JKSUJKDBSA-N 0 1 296.455 2.548 20 30 CFEDMN C=C(C)CN1CC[C@@H]1CN(C)C(=O)C(C)=C1CCC1 ZINC001234152822 779143794 /nfs/dbraw/zinc/14/37/94/779143794.db2.gz ZPEOHWXTLGWSEN-OAHLLOKOSA-N 0 1 262.397 2.596 20 30 CFEDMN N#CCC1CCN(Cc2ccnc(OC(F)F)c2)CC1 ZINC001237616996 779144870 /nfs/dbraw/zinc/14/48/70/779144870.db2.gz QVEKBTNFWHEQSB-UHFFFAOYSA-N 0 1 281.306 2.809 20 30 CFEDMN N#Cc1cc(Cl)cc(CN2CCCC[C@H](O)C2)c1 ZINC001237747662 779173275 /nfs/dbraw/zinc/17/32/75/779173275.db2.gz ZMUHCHSCCRCOFZ-AWEZNQCLSA-N 0 1 264.756 2.558 20 30 CFEDMN C[C@]1(O)CCCC[N@@H+](Cc2cc(Cl)cc(C#N)c2)C1 ZINC001237745213 779173661 /nfs/dbraw/zinc/17/36/61/779173661.db2.gz DLDVBOZAOPBFKH-HNNXBMFYSA-N 0 1 278.783 2.949 20 30 CFEDMN C[C@]1(O)CCCCN(Cc2cc(Cl)cc(C#N)c2)C1 ZINC001237745213 779173663 /nfs/dbraw/zinc/17/36/63/779173663.db2.gz DLDVBOZAOPBFKH-HNNXBMFYSA-N 0 1 278.783 2.949 20 30 CFEDMN CC[N@H+](CCC#N)Cc1cc(F)cc(Cl)c1[O-] ZINC001237811823 779185563 /nfs/dbraw/zinc/18/55/63/779185563.db2.gz COKRNTOWSKGFHN-UHFFFAOYSA-N 0 1 256.708 2.920 20 30 CFEDMN CC[N@@H+](CCC#N)Cc1cc(F)cc(Cl)c1[O-] ZINC001237811823 779185566 /nfs/dbraw/zinc/18/55/66/779185566.db2.gz COKRNTOWSKGFHN-UHFFFAOYSA-N 0 1 256.708 2.920 20 30 CFEDMN CC#CCN1CC(C)(C)CC[C@@H]1CNC(=O)[C@@H](F)C(C)C ZINC001099188792 779193861 /nfs/dbraw/zinc/19/38/61/779193861.db2.gz JYBIAJOVXLFLNV-CABCVRRESA-N 0 1 296.430 2.611 20 30 CFEDMN C#C[C@@H]1CCCN(Cc2ccccc2C(=O)OCC)C1 ZINC001237893046 779201730 /nfs/dbraw/zinc/20/17/30/779201730.db2.gz SYSVIYJJLVKURU-CQSZACIVSA-N 0 1 271.360 2.709 20 30 CFEDMN C=CCOC(=O)N[C@@H]1CCCN(Cc2ccsc2C)C1 ZINC001237976462 779220280 /nfs/dbraw/zinc/22/02/80/779220280.db2.gz OQASRDBBWCKUQG-CQSZACIVSA-N 0 1 294.420 2.933 20 30 CFEDMN N#C[C@@H]1CCCN(Cc2n[nH]c3cc(Cl)ccc32)C1 ZINC001238000453 779226813 /nfs/dbraw/zinc/22/68/13/779226813.db2.gz JVZDIUKBKRGSQU-JTQLQIEISA-N 0 1 274.755 2.952 20 30 CFEDMN C=CCN1C[C@]2(CC1=O)CCCCN2Cc1ccc(C)o1 ZINC001272586665 779243784 /nfs/dbraw/zinc/24/37/84/779243784.db2.gz FWHHXXCYYJUUCQ-QGZVFWFLSA-N 0 1 288.391 2.731 20 30 CFEDMN N#CC1CCN(Cc2cc(Cl)c(O)cc2F)CC1 ZINC001238143155 779260142 /nfs/dbraw/zinc/26/01/42/779260142.db2.gz KQEPSGUBKSPCGZ-UHFFFAOYSA-N 0 1 268.719 2.920 20 30 CFEDMN N#CCC1CN(Cc2cc(Cl)c(O)cc2F)C1 ZINC001238141899 779260630 /nfs/dbraw/zinc/26/06/30/779260630.db2.gz AMUHMKABGBATLP-UHFFFAOYSA-N 0 1 254.692 2.530 20 30 CFEDMN Cc1cc(C(=O)[O-])ccc1C[N@@H+]1[C@@H]2CC[C@H]1C[C@H](C#N)C2 ZINC001238148824 779261893 /nfs/dbraw/zinc/26/18/93/779261893.db2.gz IDFIKZQXYXJABY-DVSIDAKKSA-N 0 1 284.359 2.960 20 30 CFEDMN C#C[C@H]1CCC[N@H+](Cc2ccc(C(=O)[O-])cc2C)C1 ZINC001238148396 779262399 /nfs/dbraw/zinc/26/23/99/779262399.db2.gz DEOKMRBUHDCZSY-ZDUSSCGKSA-N 0 1 257.333 2.538 20 30 CFEDMN COC(=O)[C@@]1(C)CCN(Cc2ccc(Cl)c(C#N)c2)C1 ZINC001238195028 779275938 /nfs/dbraw/zinc/27/59/38/779275938.db2.gz AVUILJNZMZVZOA-HNNXBMFYSA-N 0 1 292.766 2.597 20 30 CFEDMN N#CC(C(=O)C[C@@H]1CCC2(CCC2)O1)c1cccc(F)n1 ZINC001122658201 779282803 /nfs/dbraw/zinc/28/28/03/779282803.db2.gz OQCOPMSHFQLCCS-RYUDHWBXSA-N 0 1 288.322 2.889 20 30 CFEDMN COc1cc(CN2CC[C@@H]3CCCO[C@@H]3C2)ccc1C#N ZINC001238410577 779307817 /nfs/dbraw/zinc/30/78/17/779307817.db2.gz RWCQDCHOLTUWJL-WMLDXEAASA-N 0 1 286.375 2.568 20 30 CFEDMN C#CCC[C@H](C)OC(=O)c1ccc2cncn2c1C ZINC001122971938 779320982 /nfs/dbraw/zinc/32/09/82/779320982.db2.gz OTNNJXDPUALWFC-NSHDSACASA-N 0 1 256.305 2.601 20 30 CFEDMN C#CCN1CCC(OC(=O)[C@H](C)OCCCCCC)CC1 ZINC001123250122 779366574 /nfs/dbraw/zinc/36/65/74/779366574.db2.gz JDTCRRDVRQJWHI-HNNXBMFYSA-N 0 1 295.423 2.613 20 30 CFEDMN COc1ccc2c(c1)nccc2Nc1cn(C)nc1C#N ZINC001203522139 779381416 /nfs/dbraw/zinc/38/14/16/779381416.db2.gz LCHPSOREZXFKEM-UHFFFAOYSA-N 0 1 279.303 2.592 20 30 CFEDMN CCc1cc(CN2C[C@H]3CC[C@@H](C2)C3=O)ccc1C#N ZINC001238778646 779391441 /nfs/dbraw/zinc/39/14/41/779391441.db2.gz PXYHUZKNBQTZNU-IYBDPMFKSA-N 0 1 268.360 2.532 20 30 CFEDMN C=C(C)CN1CCC(F)(F)[C@@H](CNC(=O)c2ccoc2)C1 ZINC001046914563 779404903 /nfs/dbraw/zinc/40/49/03/779404903.db2.gz QRVWTUOQBPHHRK-ZDUSSCGKSA-N 0 1 298.333 2.543 20 30 CFEDMN Cc1cc(-c2cnc(C#N)c(F)c2)cc2nc[nH]c21 ZINC001238990152 779434783 /nfs/dbraw/zinc/43/47/83/779434783.db2.gz GGNKOSQDRNGLNW-UHFFFAOYSA-N 0 1 252.252 2.944 20 30 CFEDMN CCCCCCCOC(=O)N1C[C@H](C)N[C@@H](C)C1 ZINC001239335788 779526245 /nfs/dbraw/zinc/52/62/45/779526245.db2.gz DOEKPPNKMHLIJE-STQMWFEESA-N 0 1 256.390 2.776 20 30 CFEDMN C#CCN1CC(C)(C)CC[C@@H]1CNC(=O)[C@H]1CC=CCC1 ZINC001089605957 779543277 /nfs/dbraw/zinc/54/32/77/779543277.db2.gz RSPALPMHQGXFAL-JKSUJKDBSA-N 0 1 288.435 2.583 20 30 CFEDMN C=CCN1CC(C)(C)CC[C@H]1CNC(=O)c1coc(C)c1 ZINC001089630058 779549814 /nfs/dbraw/zinc/54/98/14/779549814.db2.gz AKWMAHBZUMVWMF-HNNXBMFYSA-N 0 1 290.407 2.994 20 30 CFEDMN C=C(C)CN1CC(CNC(=O)c2cscc2Cl)C1 ZINC001031751855 779589235 /nfs/dbraw/zinc/58/92/35/779589235.db2.gz NMQDSUOCYZXFJF-UHFFFAOYSA-N 0 1 284.812 2.639 20 30 CFEDMN COc1ncc(-c2nccc3[nH]cc(C#N)c32)cc1F ZINC001239501374 779594926 /nfs/dbraw/zinc/59/49/26/779594926.db2.gz PHXIZLCDKVJZCN-UHFFFAOYSA-N 0 1 268.251 2.644 20 30 CFEDMN C=C(C)CN1CC(CNC(=O)C2CCCCCCC2)C1 ZINC001031835875 779636204 /nfs/dbraw/zinc/63/62/04/779636204.db2.gz GPMXKYBZNLDUDR-UHFFFAOYSA-N 0 1 278.440 2.971 20 30 CFEDMN C=CCN1CC(CNC(=O)c2cc3c(cc(C)cc3C)[nH]2)C1 ZINC001031880663 779658648 /nfs/dbraw/zinc/65/86/48/779658648.db2.gz OIOMPPSZALROIK-UHFFFAOYSA-N 0 1 297.402 2.632 20 30 CFEDMN CC(=O)c1cccc(-c2cc3[nH]cnc3c(C#N)n2)c1 ZINC001239632398 779676050 /nfs/dbraw/zinc/67/60/50/779676050.db2.gz IVUMJKPCWYPGIK-UHFFFAOYSA-N 0 1 262.272 2.699 20 30 CFEDMN C=CCCC(=O)NCCNCc1cc(-c2ccccc2)no1 ZINC001124640999 779698850 /nfs/dbraw/zinc/69/88/50/779698850.db2.gz YQFJBWSEMVBALM-UHFFFAOYSA-N 0 1 299.374 2.514 20 30 CFEDMN C[C@H]1CCN(Cc2cc(Cl)cc(C#N)c2)CC[C@H]1O ZINC001237746524 779715953 /nfs/dbraw/zinc/71/59/53/779715953.db2.gz NYYXAERGOVJJHH-XHDPSFHLSA-N 0 1 278.783 2.804 20 30 CFEDMN C=CCN1CC(CNC(=O)c2ccc(C(C)C)cc2)C1 ZINC001032143082 779745818 /nfs/dbraw/zinc/74/58/18/779745818.db2.gz LRRUMXUCYFOIQN-UHFFFAOYSA-N 0 1 272.392 2.658 20 30 CFEDMN C=CCN1CC(CNC(=O)c2ccc(C(F)(F)F)cc2)C1 ZINC001032146113 779746964 /nfs/dbraw/zinc/74/69/64/779746964.db2.gz DUIOZVDIABGRCU-UHFFFAOYSA-N 0 1 298.308 2.553 20 30 CFEDMN C=CCN1CC(CNC(=O)c2ccc3ccccc3c2)C1 ZINC001032147777 779747403 /nfs/dbraw/zinc/74/74/03/779747403.db2.gz WVWYJGDHQNSSCP-UHFFFAOYSA-N 0 1 280.371 2.687 20 30 CFEDMN C=C(C)CN1CC(CNC(=O)[C@@H]2CCCC(C)(C)C2)C1 ZINC001032213723 779769324 /nfs/dbraw/zinc/76/93/24/779769324.db2.gz BQHGCZJQJOAEIE-OAHLLOKOSA-N 0 1 278.440 2.827 20 30 CFEDMN C=C(C)CN1CC(CNC(=O)[C@@H]2CCCCC2(C)C)C1 ZINC001032215044 779770770 /nfs/dbraw/zinc/77/07/70/779770770.db2.gz WBRUSCMKPHCEIT-HNNXBMFYSA-N 0 1 278.440 2.827 20 30 CFEDMN C=CCN1CC(CNC(=O)c2ccccc2CC(C)C)C1 ZINC001032216093 779771988 /nfs/dbraw/zinc/77/19/88/779771988.db2.gz VQRNTWHAGMSAMS-UHFFFAOYSA-N 0 1 286.419 2.733 20 30 CFEDMN C=C(C)CCN1C[C@@H]2C[C@H]1CN2C(=O)c1sccc1C ZINC001032252156 779791692 /nfs/dbraw/zinc/79/16/92/779791692.db2.gz FGSFUJBKFFTQIC-KBPBESRZSA-N 0 1 290.432 2.921 20 30 CFEDMN CCCCCCCN1CCO[C@](C)(CNC(=O)C2CC2)C1 ZINC001107676233 779877753 /nfs/dbraw/zinc/87/77/53/779877753.db2.gz YGJXDNUKECNSRZ-QGZVFWFLSA-N 0 1 296.455 2.574 20 30 CFEDMN CCCCCCCN1CCO[C@](C)(CNC(=O)CCC)C1 ZINC001107693140 779881005 /nfs/dbraw/zinc/88/10/05/779881005.db2.gz WAGUMTKFJJEZRM-QGZVFWFLSA-N 0 1 298.471 2.964 20 30 CFEDMN CC(C)n1ccc(-c2cc3[nH]cnc3c(C#N)n2)c1 ZINC001239066724 779882180 /nfs/dbraw/zinc/88/21/80/779882180.db2.gz SFVPQCMWIRHZEG-UHFFFAOYSA-N 0 1 251.293 2.879 20 30 CFEDMN C=CCCC[N@H+]1CCO[C@@](C)(CNC(=O)[C@@H](C)CCC)C1 ZINC001107823208 779904360 /nfs/dbraw/zinc/90/43/60/779904360.db2.gz LCYWDGHLXKHLKP-RDJZCZTQSA-N 0 1 296.455 2.596 20 30 CFEDMN C=CCCCN1CCO[C@@](C)(CNC(=O)[C@@H](C)CCC)C1 ZINC001107823208 779904368 /nfs/dbraw/zinc/90/43/68/779904368.db2.gz LCYWDGHLXKHLKP-RDJZCZTQSA-N 0 1 296.455 2.596 20 30 CFEDMN C=C(C)CN1C[C@@H]2C[C@H]1CN2C(=O)CC1(C)CCCC1 ZINC001032388548 779917587 /nfs/dbraw/zinc/91/75/87/779917587.db2.gz STIGTVLWCOZZDC-GJZGRUSLSA-N 0 1 276.424 2.818 20 30 CFEDMN C=C(C)CN1C[C@@H]2C[C@H]1CN2C(=O)C[C@H]1CCC(F)(F)C1 ZINC001032437653 779956046 /nfs/dbraw/zinc/95/60/46/779956046.db2.gz LLLAFMIWIVEBKY-RDBSUJKOSA-N 0 1 298.377 2.673 20 30 CFEDMN N#Cc1c[nH]c2ccnc(-c3ccc4nccn4c3)c12 ZINC001240216865 780002296 /nfs/dbraw/zinc/00/22/96/780002296.db2.gz PKEFOVMUBHDFCQ-UHFFFAOYSA-N 0 1 259.272 2.749 20 30 CFEDMN C=C(C)C(C)(C)C(=O)N1C[C@@H]2C[C@H]1CN2CC[C@H](C)F ZINC001032557251 780029714 /nfs/dbraw/zinc/02/97/14/780029714.db2.gz DQOHRRIJBQMFII-IHRRRGAJSA-N 0 1 282.403 2.622 20 30 CFEDMN C=C(C)CN1C[C@@H]2C[C@H]1CN2C(=O)C[C@@H]1CC=CCC1 ZINC001032566196 780041251 /nfs/dbraw/zinc/04/12/51/780041251.db2.gz HLPDETCWKQILFG-PMPSAXMXSA-N 0 1 274.408 2.594 20 30 CFEDMN C=C(C)CN1CC[C@@H]1CNC(=O)C1CCC2(CC2)CC1 ZINC001038525470 780049358 /nfs/dbraw/zinc/04/93/58/780049358.db2.gz PUTLYELAFIYQBW-OAHLLOKOSA-N 0 1 276.424 2.723 20 30 CFEDMN N#Cc1cc(C2=CCCN(Cc3ccccc3)C2)ncn1 ZINC001240384483 780127781 /nfs/dbraw/zinc/12/77/81/780127781.db2.gz NTVCHQPNAMAUPP-UHFFFAOYSA-N 0 1 276.343 2.638 20 30 CFEDMN C=C(C)CN1C[C@@H]2C[C@H]1CN2C(=O)[C@H](C)c1ccc(C)cc1 ZINC001032738852 780161737 /nfs/dbraw/zinc/16/17/37/780161737.db2.gz QXRSUEBYOXDBME-NJAFHUGGSA-N 0 1 298.430 2.960 20 30 CFEDMN C=C[C@H](C(=O)N1C[C@@H]2C[C@H]1CN2CC(=C)C)c1ccccc1 ZINC001032796459 780249627 /nfs/dbraw/zinc/24/96/27/780249627.db2.gz BCFOYNMCILOKRR-BZSNNMDCSA-N 0 1 296.414 2.817 20 30 CFEDMN C=C(C)CN1C[C@@H]2C[C@H]1CN2C(=O)[C@H]1CC2CCC1CC2 ZINC001032806327 780260385 /nfs/dbraw/zinc/26/03/85/780260385.db2.gz MGXCEVJGPKBAIZ-YOTSKQKMSA-N 0 1 288.435 2.674 20 30 CFEDMN CC(C)OCCCNc1c[nH]c2c(C#N)cnc-2c1 ZINC001168681629 780319409 /nfs/dbraw/zinc/31/94/09/780319409.db2.gz NPBMGQDGBIJULX-UHFFFAOYSA-N 0 1 258.325 2.662 20 30 CFEDMN C=C(C)CN1CC[C@@]2(CCCN2Cc2cccc(C)n2)C1=O ZINC001272944489 780341187 /nfs/dbraw/zinc/34/11/87/780341187.db2.gz NOFCGLJORUWXQN-SFHVURJKSA-N 0 1 299.418 2.533 20 30 CFEDMN CN1CCN(c2ccc(-c3cnc(C#N)c(F)c3)cc2)CC1 ZINC001240852179 780477852 /nfs/dbraw/zinc/47/78/52/780477852.db2.gz MLCJSCAGUJERDF-UHFFFAOYSA-N 0 1 296.349 2.511 20 30 CFEDMN CN1CCN(c2ccc(-c3cnc(F)c(C#N)c3)cc2)CC1 ZINC001240855485 780479677 /nfs/dbraw/zinc/47/96/77/780479677.db2.gz SETJDBAXZJMLFL-UHFFFAOYSA-N 0 1 296.349 2.511 20 30 CFEDMN C=C(C)CCC(=O)Nc1ccc(F)c(-c2nc[nH]n2)c1 ZINC001128484837 780501004 /nfs/dbraw/zinc/50/10/04/780501004.db2.gz DXLCTMTVFFRYNI-UHFFFAOYSA-N 0 1 274.299 2.906 20 30 CFEDMN C=C(C)CN1CC[C@@H](N(C)C(=O)c2ccc(Cl)o2)C1 ZINC001032912897 780508589 /nfs/dbraw/zinc/50/85/89/780508589.db2.gz JJLWYXJMRNYITG-LLVKDONJSA-N 0 1 282.771 2.655 20 30 CFEDMN Cc1nc2ccc(Nc3c(C#N)cnc4ccnn43)cc2[nH]1 ZINC001213071143 780519029 /nfs/dbraw/zinc/51/90/29/780519029.db2.gz BFYLEHXUSSANNZ-UHFFFAOYSA-N 0 1 289.302 2.529 20 30 CFEDMN C=C(C)CN1CC[C@H](N(C)C(=O)c2cc(C)c(C)o2)C1 ZINC001033001221 780528068 /nfs/dbraw/zinc/52/80/68/780528068.db2.gz BPOPGFNKBCXXKS-AWEZNQCLSA-N 0 1 276.380 2.619 20 30 CFEDMN C=C(Cl)CN1CCC2(CCN(C(=O)CCC)C2)CC1 ZINC001040576707 780586328 /nfs/dbraw/zinc/58/63/28/780586328.db2.gz IYZIVYRVCXWDHY-UHFFFAOYSA-N 0 1 284.831 2.854 20 30 CFEDMN CSc1nc(C)c(C#N)c(-c2ccccc2O)n1 ZINC001241003122 780586600 /nfs/dbraw/zinc/58/66/00/780586600.db2.gz HHDGEYLLBGCVDI-UHFFFAOYSA-N 0 1 257.318 2.751 20 30 CFEDMN C=CCN1CC[C@H](N(C)C(=O)c2cccc3cccnc32)C1 ZINC001033231886 780624510 /nfs/dbraw/zinc/62/45/10/780624510.db2.gz ABCUSKYNPUMBKS-HNNXBMFYSA-N 0 1 295.386 2.567 20 30 CFEDMN C=CCN1CC[C@@H](N(C)C(=O)c2c(C)oc(C)c2C)C1 ZINC001033246046 780631027 /nfs/dbraw/zinc/63/10/27/780631027.db2.gz KWECLTNRCWDHBQ-CQSZACIVSA-N 0 1 276.380 2.537 20 30 CFEDMN C=CCN1CC[C@@H](N(C)C(=O)C2(c3ccccc3)CCC2)C1 ZINC001033252868 780632588 /nfs/dbraw/zinc/63/25/88/780632588.db2.gz HBEDPAKZJVSACS-QGZVFWFLSA-N 0 1 298.430 2.827 20 30 CFEDMN C=CCN1CC[C@H](N(C)C(=O)C2(c3ccccc3)CCC2)C1 ZINC001033252867 780632975 /nfs/dbraw/zinc/63/29/75/780632975.db2.gz HBEDPAKZJVSACS-KRWDZBQOSA-N 0 1 298.430 2.827 20 30 CFEDMN C=CCN1CC[C@H](N(C)C(=O)[C@@H]2CCCCC2(F)F)C1 ZINC001033292982 780641656 /nfs/dbraw/zinc/64/16/56/780641656.db2.gz IPCVBBYBSWFTSN-STQMWFEESA-N 0 1 286.366 2.531 20 30 CFEDMN C=CCN1CC[C@@H](N(C)C(=O)c2cc3ccsc3[nH]2)C1 ZINC001033315678 780647853 /nfs/dbraw/zinc/64/78/53/780647853.db2.gz OVVZZFSVHYQJNS-GFCCVEGCSA-N 0 1 289.404 2.562 20 30 CFEDMN N#Cc1ncc(-c2c(F)cc(O)cc2F)cc1F ZINC001241121664 780651287 /nfs/dbraw/zinc/65/12/87/780651287.db2.gz AFNJWHKPZACQDI-UHFFFAOYSA-N 0 1 250.179 2.743 20 30 CFEDMN C=CCN1CC[C@H](N(C)C(=O)c2ccc(Cl)cc2C)C1 ZINC001033381421 780667165 /nfs/dbraw/zinc/66/71/65/780667165.db2.gz SYERUZNPYMGLJW-AWEZNQCLSA-N 0 1 292.810 2.981 20 30 CFEDMN C=C(C)CN1CC[C@H](N(C)C(=O)c2occc2Cl)C1 ZINC001033392037 780669345 /nfs/dbraw/zinc/66/93/45/780669345.db2.gz UROUKEOOERBDCF-NSHDSACASA-N 0 1 282.771 2.655 20 30 CFEDMN C=C(C)CN1CC[C@H](N(C)C(=O)[C@H](F)c2ccccc2)C1 ZINC001033462197 780688503 /nfs/dbraw/zinc/68/85/03/780688503.db2.gz SBHCAVPDBZKNMC-JKSUJKDBSA-N 0 1 290.382 2.806 20 30 CFEDMN C=CCN1CC[C@H](N(C)C(=O)[C@H]2CCc3ccccc3C2)C1 ZINC001033461266 780688742 /nfs/dbraw/zinc/68/87/42/780688742.db2.gz ZAOZYPMAXIYLSA-ROUUACIJSA-N 0 1 298.430 2.510 20 30 CFEDMN CC#CCN1CC[C@@H](N(C)C(=O)c2cccc(C(C)C)c2)C1 ZINC001033559079 780713068 /nfs/dbraw/zinc/71/30/68/780713068.db2.gz PFKHFURYOTZZQT-GOSISDBHSA-N 0 1 298.430 2.980 20 30 CFEDMN C#CCN1CC[C@H](N(C)C(=O)c2cccc(C(C)C)c2)C1 ZINC001033558995 780713592 /nfs/dbraw/zinc/71/35/92/780713592.db2.gz OMAJXNDYFDPHNA-KRWDZBQOSA-N 0 1 284.403 2.590 20 30 CFEDMN C=C(C)CN1CC[C@H](N(C)C(=O)c2cc(C)c(CC)o2)C1 ZINC001033574516 780716430 /nfs/dbraw/zinc/71/64/30/780716430.db2.gz XYNFCGVEZGPOEJ-AWEZNQCLSA-N 0 1 290.407 2.873 20 30 CFEDMN C=CCN1CC[C@@H](N(C)C(=O)[C@H]2CC[C@H](CC)CC2)C1 ZINC001033601642 780724324 /nfs/dbraw/zinc/72/43/24/780724324.db2.gz QRXDMGISKSTIDH-BZUAXINKSA-N 0 1 278.440 2.922 20 30 CFEDMN C=CCN1CC[C@@H](N(C)C(=O)c2cc3[nH]ccc3s2)C1 ZINC001033625938 780733461 /nfs/dbraw/zinc/73/34/61/780733461.db2.gz WKMIGOLXCFJOLT-LLVKDONJSA-N 0 1 289.404 2.562 20 30 CFEDMN C=CCN1CC[C@H](N(C)C(=O)c2cccc(C)c2C)C1 ZINC001033627494 780734713 /nfs/dbraw/zinc/73/47/13/780734713.db2.gz FHNNTFBGPHNISN-HNNXBMFYSA-N 0 1 272.392 2.636 20 30 CFEDMN C=CCN1CC[C@@H](N(C)C(=O)c2cccc(C)c2C)C1 ZINC001033627495 780734726 /nfs/dbraw/zinc/73/47/26/780734726.db2.gz FHNNTFBGPHNISN-OAHLLOKOSA-N 0 1 272.392 2.636 20 30 CFEDMN CC#CCN1CC[C@@H](N(C)C(=O)[C@@]2(C)CC=C(C)CC2)C1 ZINC001033677503 780746811 /nfs/dbraw/zinc/74/68/11/780746811.db2.gz BJVZLKUJMYXCFZ-AEFFLSMTSA-N 0 1 288.435 2.679 20 30 CFEDMN C=CCN1CC[C@H](N(C)C(=O)[C@H]2CCCC(C)(C)C2)C1 ZINC001033694143 780750534 /nfs/dbraw/zinc/75/05/34/780750534.db2.gz JCLMRVKPSZHJLB-GJZGRUSLSA-N 0 1 278.440 2.922 20 30 CFEDMN CC#CCN1CC[C@H](N(C)C(=O)C2CC(C(C)(C)C)C2)C1 ZINC001033703612 780755723 /nfs/dbraw/zinc/75/57/23/780755723.db2.gz CAVXQNYRUBDZSF-GPANFISMSA-N 0 1 290.451 2.615 20 30 CFEDMN C=CCN1CC[C@H](N(CC)C(=O)c2ccc(F)cc2)C1 ZINC001033729289 780765973 /nfs/dbraw/zinc/76/59/73/780765973.db2.gz WXGUOFWXBTWYCX-HNNXBMFYSA-N 0 1 276.355 2.548 20 30 CFEDMN CC#CCN1CC[C@H](N(CC)C(=O)C2CCCCC2)C1 ZINC001033738810 780769886 /nfs/dbraw/zinc/76/98/86/780769886.db2.gz YJYAAUMDVXDSMQ-INIZCTEOSA-N 0 1 276.424 2.513 20 30 CFEDMN C=CCN1CC[C@@H](N(CC)C(=O)C2CCCCC2)C1 ZINC001033737794 780770171 /nfs/dbraw/zinc/77/01/71/780770171.db2.gz RJLWLQFHOZLQEU-OAHLLOKOSA-N 0 1 264.413 2.676 20 30 CFEDMN C=C(C)CN1CC[C@@H](N(CC)C(=O)c2ccoc2C)C1 ZINC001033742098 780771864 /nfs/dbraw/zinc/77/18/64/780771864.db2.gz IDFLPNRRPHBVSF-CQSZACIVSA-N 0 1 276.380 2.701 20 30 CFEDMN C=C(C)CC[N@@H+]1CC[C@H](N(CC)C(=O)c2cncs2)C1 ZINC001033764100 780776674 /nfs/dbraw/zinc/77/66/74/780776674.db2.gz XJBBHAUMYHSPHU-ZDUSSCGKSA-N 0 1 293.436 2.646 20 30 CFEDMN C=CC[N@@H+]1CC[C@H](N(CC)C(=O)c2ccc(Cl)o2)C1 ZINC001033750969 780776857 /nfs/dbraw/zinc/77/68/57/780776857.db2.gz YYEVSIYWXHGABS-NSHDSACASA-N 0 1 282.771 2.655 20 30 CFEDMN C=CCN1CC[C@H](N(CC)C(=O)c2ccc(Cl)o2)C1 ZINC001033750969 780776863 /nfs/dbraw/zinc/77/68/63/780776863.db2.gz YYEVSIYWXHGABS-NSHDSACASA-N 0 1 282.771 2.655 20 30 CFEDMN CC#CCN1CC[C@H](N(CC)C(=O)c2ccsc2C)C1 ZINC001033822367 780801860 /nfs/dbraw/zinc/80/18/60/780801860.db2.gz YIFFTMWUKQXRDT-AWEZNQCLSA-N 0 1 290.432 2.616 20 30 CFEDMN C=CCN1CC[C@@H](N(CC)C(=O)[C@@H]2C[C@@H]3C=C[C@H]2CC3)C1 ZINC001033838473 780804144 /nfs/dbraw/zinc/80/41/44/780804144.db2.gz NSOABEIFKZZVPM-YYIAUSFCSA-N 0 1 288.435 2.698 20 30 CFEDMN C=CCN1CC[C@@H](N(CC)C(=O)c2cc[nH]c2CCC)C1 ZINC001033931595 780828902 /nfs/dbraw/zinc/82/89/02/780828902.db2.gz NQVKXJYNSXPNHA-CQSZACIVSA-N 0 1 289.423 2.690 20 30 CFEDMN C=CCN1CC[C@@H](N(CC)C(=O)c2ccc(C3CC3)cn2)C1 ZINC001034034522 780862242 /nfs/dbraw/zinc/86/22/42/780862242.db2.gz FYMIPJNQMQFQTN-MRXNPFEDSA-N 0 1 299.418 2.681 20 30 CFEDMN CC#CCN1CC[C@H](N(CC)C(=O)c2ccc(C)cc2)C1 ZINC001034024296 780865522 /nfs/dbraw/zinc/86/55/22/780865522.db2.gz BTAJOHCPGGMCNK-KRWDZBQOSA-N 0 1 284.403 2.555 20 30 CFEDMN C=CCN1CCCC[C@H](NC(=O)c2cc(C)cs2)C1 ZINC001034206250 780923444 /nfs/dbraw/zinc/92/34/44/780923444.db2.gz HHGPVFVQOAEJCT-ZDUSSCGKSA-N 0 1 278.421 2.827 20 30 CFEDMN CC#CCN1CCCC[C@@H](NC(=O)c2ccsc2C)C1 ZINC001034209370 780925013 /nfs/dbraw/zinc/92/50/13/780925013.db2.gz UMIUIEOBTUOSMD-CQSZACIVSA-N 0 1 290.432 2.664 20 30 CFEDMN C=CCN1CCCC[C@H](NC(=O)c2cc3ncccc3o2)C1 ZINC001034315126 780944672 /nfs/dbraw/zinc/94/46/72/780944672.db2.gz JOLRLNKTAHFJAP-ZDUSSCGKSA-N 0 1 299.374 2.598 20 30 CFEDMN CC#CCN1CCCC[C@H](NC(=O)[C@H]2CCCC2(C)C)C1 ZINC001034355474 780950729 /nfs/dbraw/zinc/95/07/29/780950729.db2.gz PTLDKJCAKCQGHF-JKSUJKDBSA-N 0 1 290.451 2.807 20 30 CFEDMN CN1CCC=C(c2ccc(C(F)(F)F)c(C#N)n2)C1 ZINC001241565524 780981082 /nfs/dbraw/zinc/98/10/82/780981082.db2.gz LWRVWYFESUOABI-UHFFFAOYSA-N 0 1 267.254 2.691 20 30 CFEDMN C=CCN1CCCC[C@H](NC(=O)c2c(F)cccc2F)C1 ZINC001034499723 780982320 /nfs/dbraw/zinc/98/23/20/780982320.db2.gz GKRDCTSKMNIMJM-LBPRGKRZSA-N 0 1 294.345 2.735 20 30 CFEDMN C#CCN1CCCC[C@@H](NC(=O)c2cccc(C)c2C)C1 ZINC001034514735 780989879 /nfs/dbraw/zinc/98/98/79/780989879.db2.gz KDBGEYMDKIUDDG-MRXNPFEDSA-N 0 1 284.403 2.521 20 30 CFEDMN C#CCN1CCCC[C@H](NC(=O)c2ccoc2C(C)C)C1 ZINC001034546164 780996588 /nfs/dbraw/zinc/99/65/88/780996588.db2.gz HTRRVPIGJAHERO-AWEZNQCLSA-N 0 1 288.391 2.621 20 30 CFEDMN Cn1cc2c(cccc2-c2nccc3[nH]cc(C#N)c32)n1 ZINC001241581186 780997132 /nfs/dbraw/zinc/99/71/32/780997132.db2.gz OFBVYIPKKNQUPE-UHFFFAOYSA-N 0 1 273.299 2.988 20 30 CFEDMN C=C[C@H](CC)CC(=O)NC[C@@]1(C)CN(CCCC)CCO1 ZINC001108151828 781052947 /nfs/dbraw/zinc/05/29/47/781052947.db2.gz UZDQSTIVJRULAG-WBVHZDCISA-N 0 1 296.455 2.596 20 30 CFEDMN CSc1ncc(C#N)c(-c2ccc3n[nH]c(C)c3c2)n1 ZINC001241666400 781059391 /nfs/dbraw/zinc/05/93/91/781059391.db2.gz DUPBNJLFURLQAG-UHFFFAOYSA-N 0 1 281.344 2.922 20 30 CFEDMN C=CCNC(=O)c1cccnc1-c1ccc2n[nH]c(C)c2c1 ZINC001241667854 781060112 /nfs/dbraw/zinc/06/01/12/781060112.db2.gz CMUBSLQLXHYTPC-UHFFFAOYSA-N 0 1 292.342 2.849 20 30 CFEDMN COc1ncc(-c2ccc3nc[nH]c3c2)cc1C#N ZINC001241691418 781074754 /nfs/dbraw/zinc/07/47/54/781074754.db2.gz OTSXUCBMBJTUSL-UHFFFAOYSA-N 0 1 250.261 2.505 20 30 CFEDMN C#C[C@@H](NCc1cnc2ccccc2n1)C(C)(C)C ZINC000705252682 781136549 /nfs/dbraw/zinc/13/65/49/781136549.db2.gz MEPBHTWWHWXXJA-OAHLLOKOSA-N 0 1 253.349 2.767 20 30 CFEDMN C=CCN1CC2(C1)CCN(C(=O)c1ccccc1F)CC2 ZINC001035639941 781153809 /nfs/dbraw/zinc/15/38/09/781153809.db2.gz PZNVGDWMFMVVJQ-UHFFFAOYSA-N 0 1 288.366 2.550 20 30 CFEDMN C#CCN1CC2(C1)CCN(C(=O)C(C)(C)C(C)(C)C)CC2 ZINC001035769192 781166328 /nfs/dbraw/zinc/16/63/28/781166328.db2.gz XGUWVQNISNCBQF-UHFFFAOYSA-N 0 1 290.451 2.616 20 30 CFEDMN C=CCN1CC2(C1)CCN(C(=O)Cc1cccc(C)c1)CC2 ZINC001035780610 781167267 /nfs/dbraw/zinc/16/72/67/781167267.db2.gz IJGMOLDZUUKJRH-UHFFFAOYSA-N 0 1 298.430 2.648 20 30 CFEDMN C=CCN1CC2(C1)CCN(C(=O)[C@@H]1CC[C@@H](C)C1)CC2 ZINC001035813677 781174536 /nfs/dbraw/zinc/17/45/36/781174536.db2.gz WFJCYARXYSQYGW-HUUCEWRRSA-N 0 1 276.424 2.533 20 30 CFEDMN C=CCN1CC2(C1)CCN(C(=O)C1CCC=CCC1)CC2 ZINC001035855532 781178668 /nfs/dbraw/zinc/17/86/68/781178668.db2.gz ZCEDHFQEIUEXHP-UHFFFAOYSA-N 0 1 288.435 2.843 20 30 CFEDMN COc1cc(-c2ccc3[nH]nnc3c2)ccc1CC#N ZINC001241940703 781194869 /nfs/dbraw/zinc/19/48/69/781194869.db2.gz PAYRVZZKWOMWSU-UHFFFAOYSA-N 0 1 264.288 2.700 20 30 CFEDMN COc1cc(-c2ccc3nn[nH]c3c2)ccc1CC#N ZINC001241940703 781194872 /nfs/dbraw/zinc/19/48/72/781194872.db2.gz PAYRVZZKWOMWSU-UHFFFAOYSA-N 0 1 264.288 2.700 20 30 CFEDMN Cc1cc(-c2ccc3[nH]nnc3c2)cc(F)c1C#N ZINC001241941281 781196445 /nfs/dbraw/zinc/19/64/45/781196445.db2.gz IIOOUXAOUCQZFB-UHFFFAOYSA-N 0 1 252.252 2.944 20 30 CFEDMN Cc1cc(-c2ccc3nn[nH]c3c2)cc(F)c1C#N ZINC001241941281 781196449 /nfs/dbraw/zinc/19/64/49/781196449.db2.gz IIOOUXAOUCQZFB-UHFFFAOYSA-N 0 1 252.252 2.944 20 30 CFEDMN N#CCc1cc(F)cc(-c2ccc3[nH]nnc3c2)c1 ZINC001241944934 781200595 /nfs/dbraw/zinc/20/05/95/781200595.db2.gz UQSNTEOPTSCVNH-UHFFFAOYSA-N 0 1 252.252 2.830 20 30 CFEDMN N#CCc1cc(F)cc(-c2ccc3nn[nH]c3c2)c1 ZINC001241944934 781200596 /nfs/dbraw/zinc/20/05/96/781200596.db2.gz UQSNTEOPTSCVNH-UHFFFAOYSA-N 0 1 252.252 2.830 20 30 CFEDMN C=C(Cl)CN1CC[C@H]2CN(C(=O)C3CCCC3)CC[C@@H]21 ZINC001036620952 781303368 /nfs/dbraw/zinc/30/33/68/781303368.db2.gz MUFGTGALROQWIB-GJZGRUSLSA-N 0 1 296.842 2.852 20 30 CFEDMN C=C(Cl)CN1CC[C@@H]2CN(C(=O)c3ccco3)CC[C@@H]21 ZINC001036625948 781320480 /nfs/dbraw/zinc/32/04/80/781320480.db2.gz ONPSJTDHRLNLAS-OLZOCXBDSA-N 0 1 294.782 2.569 20 30 CFEDMN C=C(Cl)CN1CC[C@H]2CN(C(=O)C=C(C)C)CC[C@H]21 ZINC001036626709 781345333 /nfs/dbraw/zinc/34/53/33/781345333.db2.gz BNFBUJLHVHWFCR-UONOGXRCSA-N 0 1 282.815 2.628 20 30 CFEDMN C=C(Cl)CN1CC[C@H]2CN(C(=O)CC(C)C)CC[C@@H]21 ZINC001036627283 781345899 /nfs/dbraw/zinc/34/58/99/781345899.db2.gz KGDYGKGQIKWZIQ-KBPBESRZSA-N 0 1 284.831 2.708 20 30 CFEDMN COc1cccc(-c2cccc3[nH]nnc32)c1C#N ZINC001242300692 781381993 /nfs/dbraw/zinc/38/19/93/781381993.db2.gz UMNQMBRMHQGQBK-UHFFFAOYSA-N 0 1 250.261 2.505 20 30 CFEDMN C=C(Cl)CN1CC[C@H]2CN(C(=O)CCC3CC3)CC[C@H]21 ZINC001036670198 781391953 /nfs/dbraw/zinc/39/19/53/781391953.db2.gz PYBLNGPBDPEYON-LSDHHAIUSA-N 0 1 296.842 2.852 20 30 CFEDMN C=CCn1ccc2c1ncnc2NC(C)=CC(C)=O ZINC001163737220 781564597 /nfs/dbraw/zinc/56/45/97/781564597.db2.gz QQRLZTALBFWIEY-NTMALXAHSA-N 0 1 256.309 2.522 20 30 CFEDMN Cc1cc(N2CCCC2)nc(-c2ccc(O)c(C#N)c2)n1 ZINC001242562397 781599471 /nfs/dbraw/zinc/59/94/71/781599471.db2.gz WIPOEUCOMSGYGM-UHFFFAOYSA-N 0 1 280.331 2.630 20 30 CFEDMN N#Cc1cc(-c2cccc(C3([NH3+])CC3)c2)ccc1[O-] ZINC001242566525 781606843 /nfs/dbraw/zinc/60/68/43/781606843.db2.gz DILKSPKGZSMLOW-UHFFFAOYSA-N 0 1 250.301 2.879 20 30 CFEDMN Cc1ccc(-c2cc3[nH]nnc3cc2F)c(C#N)c1 ZINC001242592994 781625012 /nfs/dbraw/zinc/62/50/12/781625012.db2.gz YSFGKAODGCLIIR-UHFFFAOYSA-N 0 1 252.252 2.944 20 30 CFEDMN C=CCN1C[C@@H](C)[C@H](NC(=O)c2cscc2Cl)C1 ZINC001079914501 781625849 /nfs/dbraw/zinc/62/58/49/781625849.db2.gz PFTQPONLJIBVOH-BXKDBHETSA-N 0 1 284.812 2.638 20 30 CFEDMN C[C@@H]1CN(Cc2ccc(C#N)cc2)C[C@H]1NC(=O)C(C)(C)C ZINC001080827181 781680553 /nfs/dbraw/zinc/68/05/53/781680553.db2.gz AOHDMEPKUPJYRH-CZUORRHYSA-N 0 1 299.418 2.541 20 30 CFEDMN COc1cc(C#N)cnc1-c1cccc(O)c1Cl ZINC001242797972 781764252 /nfs/dbraw/zinc/76/42/52/781764252.db2.gz PLQZHVGFVLWCAW-UHFFFAOYSA-N 0 1 260.680 2.988 20 30 CFEDMN C=C(C)CN1CC[C@@H]2CN(C(=O)c3ccccc3F)[C@@H]2C1 ZINC001084159267 781773034 /nfs/dbraw/zinc/77/30/34/781773034.db2.gz VWOAKPCZRRWLOL-CZUORRHYSA-N 0 1 288.366 2.548 20 30 CFEDMN CC#CCN1CC[C@@H]2CN(C(=O)C3CCCCCC3)[C@@H]2C1 ZINC001084222254 781781899 /nfs/dbraw/zinc/78/18/99/781781899.db2.gz MHTXWPAJJZSTMH-IAGOWNOFSA-N 0 1 288.435 2.513 20 30 CFEDMN C=CCN1CC[C@@H]2CN(C(=O)[C@H]3CCCC4(CC4)C3)[C@@H]2C1 ZINC001084341232 781787991 /nfs/dbraw/zinc/78/79/91/781787991.db2.gz DSZWHEGEZHOSSY-ARFHVFGLSA-N 0 1 288.435 2.676 20 30 CFEDMN C=CCN1CC[C@@H]2CN(C(=O)C3=CCCCCC3)[C@@H]2C1 ZINC001084302346 781789270 /nfs/dbraw/zinc/78/92/70/781789270.db2.gz PVQLXXPWMHVYMI-HZPDHXFCSA-N 0 1 274.408 2.596 20 30 CFEDMN C=CCC[N@@H+]1CC[C@@H]2CN(C(=O)c3ccc(CC)o3)[C@@H]2C1 ZINC001084458830 781794192 /nfs/dbraw/zinc/79/41/92/781794192.db2.gz NBXVAFRNFZMBTF-UKRRQHHQSA-N 0 1 288.391 2.564 20 30 CFEDMN C=CCN1CC[C@@H]2CN(C(=O)c3ccccc3CCC)[C@@H]2C1 ZINC001084506682 781799580 /nfs/dbraw/zinc/79/95/80/781799580.db2.gz XBKIXQYGHMEDCQ-SJLPKXTDSA-N 0 1 298.430 2.971 20 30 CFEDMN C=C(C)CN1CC[C@@H]2CN(C(=O)C(C)(C)C3CCC3)[C@@H]2C1 ZINC001084551890 781800063 /nfs/dbraw/zinc/80/00/63/781800063.db2.gz JFXQZVAAJDEQPG-GDBMZVCRSA-N 0 1 290.451 2.922 20 30 CFEDMN C=CCN1CC[C@@H]2CN(C(=O)Cc3ccc(CC)cc3)[C@@H]2C1 ZINC001084690060 781820943 /nfs/dbraw/zinc/82/09/43/781820943.db2.gz FHADJRPIJGZSKJ-QZTJIDSGSA-N 0 1 298.430 2.510 20 30 CFEDMN C=CC[N@@H+]1CC[C@@H]2CN(C(=O)[C@H](C)c3ccc(C)cc3)[C@@H]2C1 ZINC001084783071 781833999 /nfs/dbraw/zinc/83/39/99/781833999.db2.gz WPEQUZRCWRKCBQ-KBAYOESNSA-N 0 1 298.430 2.817 20 30 CFEDMN C=CCN1CC[C@@H]2CN(C(=O)[C@H](C)c3ccc(C)cc3)[C@@H]2C1 ZINC001084783071 781834006 /nfs/dbraw/zinc/83/40/06/781834006.db2.gz WPEQUZRCWRKCBQ-KBAYOESNSA-N 0 1 298.430 2.817 20 30 CFEDMN C=CCN1CC(C)(C)CC[C@@H]1CNC(=O)CSC(C)C ZINC001098916888 781838468 /nfs/dbraw/zinc/83/84/68/781838468.db2.gz VEJAXSKXJARJCP-CQSZACIVSA-N 0 1 298.496 2.921 20 30 CFEDMN COCc1cncc(-c2nccc3[nH]cc(C#N)c32)c1 ZINC001242952719 781868235 /nfs/dbraw/zinc/86/82/35/781868235.db2.gz FPNLBLSTWHFMQB-UHFFFAOYSA-N 0 1 264.288 2.643 20 30 CFEDMN C=CC(C)(C)C(=O)N1CC[C@H]2CCN(C[C@H](F)CC)[C@H]2C1 ZINC001085006349 781879542 /nfs/dbraw/zinc/87/95/42/781879542.db2.gz PETLDVAGHGYDTJ-KFWWJZLASA-N 0 1 296.430 2.870 20 30 CFEDMN N#Cc1c[nH]c2ccnc(-c3cnn4ccccc34)c12 ZINC001242964480 781883692 /nfs/dbraw/zinc/88/36/92/781883692.db2.gz DTLKGNRYTMODEV-UHFFFAOYSA-N 0 1 259.272 2.749 20 30 CFEDMN C=CCCCc1nc(Cc2nnc(-c3ccccc3)[nH]2)no1 ZINC000273848930 192333945 /nfs/dbraw/zinc/33/39/45/192333945.db2.gz LIIGQUNWYSTGJL-UHFFFAOYSA-N 0 1 295.346 2.954 20 30 CFEDMN Cn1ncc(C2CC2)c1CNCc1ccc(CC#N)cc1 ZINC000594952454 349526434 /nfs/dbraw/zinc/52/64/34/349526434.db2.gz ZJXMVKUNXQRKDG-UHFFFAOYSA-N 0 1 280.375 2.653 20 30 CFEDMN Cn1ncc(C2CC2)c1CNCc1ccc(C#N)s1 ZINC000594951513 349526496 /nfs/dbraw/zinc/52/64/96/349526496.db2.gz UNSRWLAAQRRXKW-UHFFFAOYSA-N 0 1 272.377 2.520 20 30 CFEDMN C=C[C@@H](CO)N[C@@H](C)c1sc(C(C)(C)C)nc1C ZINC000290000871 197556916 /nfs/dbraw/zinc/55/69/16/197556916.db2.gz ZCKLSIQVVAWVAF-ONGXEEELSA-N 0 1 268.426 2.947 20 30 CFEDMN N#Cc1cccc(C2(NCc3ccco3)CCOCC2)c1 ZINC000594982206 349537629 /nfs/dbraw/zinc/53/76/29/349537629.db2.gz ABTYBLFNJIQFQK-UHFFFAOYSA-N 0 1 282.343 2.947 20 30 CFEDMN COc1cc(CN[C@H](c2ccccc2)[C@@H](C)O)ccc1C#N ZINC000595007637 349546466 /nfs/dbraw/zinc/54/64/66/349546466.db2.gz PGNDWGSQQDCMSO-ACJLOTCBSA-N 0 1 296.370 2.779 20 30 CFEDMN C[C@@H](N[C@H]1CCCn2nccc21)c1cccc(C#N)c1 ZINC000595024846 349554129 /nfs/dbraw/zinc/55/41/29/349554129.db2.gz HOUJGXRONQYONT-DOMZBBRYSA-N 0 1 266.348 2.940 20 30 CFEDMN N#Cc1ccc(CN[C@H]2CCCn3nccc32)cc1F ZINC000595051781 349565743 /nfs/dbraw/zinc/56/57/43/349565743.db2.gz ODBZEVJBWMWCLS-AWEZNQCLSA-N 0 1 270.311 2.519 20 30 CFEDMN C=CCCSCCN[C@@H](C)c1cc(C)n(C)n1 ZINC000595059351 349570692 /nfs/dbraw/zinc/57/06/92/349570692.db2.gz MTCFQUZDDAXLDS-LBPRGKRZSA-N 0 1 253.415 2.688 20 30 CFEDMN Cn1ncc(C2CC2)c1CN[C@H]1CCc2ccc(C#N)cc21 ZINC000595076721 349575422 /nfs/dbraw/zinc/57/54/22/349575422.db2.gz IHWNXZMJEDHWRD-KRWDZBQOSA-N 0 1 292.386 2.946 20 30 CFEDMN COC(=O)[C@H]1CCCCCN1CCc1ccc(C#N)cc1 ZINC000595429835 349623619 /nfs/dbraw/zinc/62/36/19/349623619.db2.gz KHVKFONYFSZQKC-MRXNPFEDSA-N 0 1 286.375 2.518 20 30 CFEDMN CN(C[C@H]1CCCN(C(=O)C(C)(C)C)C1)CC(C)(C)C#N ZINC000595500520 349643610 /nfs/dbraw/zinc/64/36/10/349643610.db2.gz JYPNECHNKKZMQU-CQSZACIVSA-N 0 1 293.455 2.753 20 30 CFEDMN N#Cc1ccc(CCN2CCO[C@H](C3CCC3)C2)cc1 ZINC000595536282 349652692 /nfs/dbraw/zinc/65/26/92/349652692.db2.gz XRBSDROELPNRHR-KRWDZBQOSA-N 0 1 270.376 2.602 20 30 CFEDMN N#CCCCN1CCN(CCCC#N)c2ccc(O)cc2C1 ZINC000595584299 349665646 /nfs/dbraw/zinc/66/56/46/349665646.db2.gz GCVVATFYFKLEKM-UHFFFAOYSA-N 0 1 298.390 2.622 20 30 CFEDMN C[C@H]1CCCCN1C(=O)CNC(C)(C)c1cccc(C#N)c1 ZINC000595635525 349684732 /nfs/dbraw/zinc/68/47/32/349684732.db2.gz LSHBYXCCDHBTFY-AWEZNQCLSA-N 0 1 299.418 2.784 20 30 CFEDMN COCCCCCN1CCN(c2ccsc2C#N)CC1 ZINC000595632687 349683616 /nfs/dbraw/zinc/68/36/16/349683616.db2.gz PFTBMCUEDPQHOO-UHFFFAOYSA-N 0 1 293.436 2.558 20 30 CFEDMN C=CC[C@@H]1CCCN(Cc2onc(C)c2[N+](=O)[O-])C1 ZINC000595657382 349692069 /nfs/dbraw/zinc/69/20/69/349692069.db2.gz AXSSFBXRHPENSG-LLVKDONJSA-N 0 1 265.313 2.679 20 30 CFEDMN CC(C)[C@](C)(C#N)NC(=O)CN1CCC(C2CCC2)CC1 ZINC000595659071 349693158 /nfs/dbraw/zinc/69/31/58/349693158.db2.gz JGPMIIWESMTOOR-KRWDZBQOSA-N 0 1 291.439 2.553 20 30 CFEDMN C=CCN(Cc1ccc(C(=O)OC)c(F)c1)[C@H](C)COC ZINC000595646910 349689046 /nfs/dbraw/zinc/68/90/46/349689046.db2.gz MCPHXNXNHJCMTP-GFCCVEGCSA-N 0 1 295.354 2.635 20 30 CFEDMN C[C@H]1COC2(CCC2)CN1CCOc1ccc(C#N)cc1 ZINC000595676919 349696751 /nfs/dbraw/zinc/69/67/51/349696751.db2.gz WBXNUJJEXVDXNC-AWEZNQCLSA-N 0 1 286.375 2.580 20 30 CFEDMN CC(C)[C@@](C)(C#N)NC(=O)[C@@H](C)N1CCC[C@@H](CCF)C1 ZINC000595755031 349723969 /nfs/dbraw/zinc/72/39/69/349723969.db2.gz FGVBULCOEDZIJN-IJEWVQPXSA-N 0 1 297.418 2.501 20 30 CFEDMN N#CCC[C@H](C#N)CN1CCC[C@@H]([C@@H]2CCCCO2)C1 ZINC000595791908 349735222 /nfs/dbraw/zinc/73/52/22/349735222.db2.gz XZRRUCCFOXIWJS-OAGGEKHMSA-N 0 1 275.396 2.711 20 30 CFEDMN N#CCC[C@H](C#N)CN1CCC[C@@H]([C@H]2CCCCO2)C1 ZINC000595791907 349735255 /nfs/dbraw/zinc/73/52/55/349735255.db2.gz XZRRUCCFOXIWJS-BZUAXINKSA-N 0 1 275.396 2.711 20 30 CFEDMN CC1C[C@H]2CC[C@@H](C1)N2CC(=O)Nc1cccc(C#N)c1 ZINC000595856889 349756429 /nfs/dbraw/zinc/75/64/29/349756429.db2.gz GUCWWKKPTNKBHN-SFESLNEESA-N 0 1 283.375 2.760 20 30 CFEDMN C[C@@H](CN=c1[n-]c(C#N)c(Cl)s1)C[NH+]1CCCCC1 ZINC000596085092 349790431 /nfs/dbraw/zinc/79/04/31/349790431.db2.gz ILMCKQXVUMVHTP-JTQLQIEISA-N 0 1 298.843 2.624 20 30 CFEDMN C[C@@H](c1ccccc1)[N@H+]1CC[C@H](Nc2c(C#N)cnn2C)C1 ZINC000596087458 349791542 /nfs/dbraw/zinc/79/15/42/349791542.db2.gz FSWUYQCZPQGLJX-BBRMVZONSA-N 0 1 295.390 2.539 20 30 CFEDMN CCc1cnc(NC(=O)c2c[nH]nc2[C@H]2CCOC2)s1 ZINC000330321790 529656430 /nfs/dbraw/zinc/65/64/30/529656430.db2.gz GHNQLJDMBULZAC-QMMMGPOBSA-N 0 1 292.364 2.569 20 30 CFEDMN C[C@@H](CN=c1[n-]c(C#N)c(Cl)s1)[N@H+]1CCCC[C@H]1C ZINC000596073036 349786939 /nfs/dbraw/zinc/78/69/39/349786939.db2.gz DHBDIUPVARRQPT-ZJUUUORDSA-N 0 1 298.843 2.765 20 30 CFEDMN CCc1cnccc1[C@H](C)NC(=O)[C@@H]1CCc2[nH]nnc2C1 ZINC000329006215 529678722 /nfs/dbraw/zinc/67/87/22/529678722.db2.gz YYJXFLPPBGXNAV-CMPLNLGQSA-N 0 1 299.378 2.585 20 30 CFEDMN CCc1cnccc1[C@H](C)NC(=O)[C@@H]1CCc2nn[nH]c2C1 ZINC000329006215 529678725 /nfs/dbraw/zinc/67/87/25/529678725.db2.gz YYJXFLPPBGXNAV-CMPLNLGQSA-N 0 1 299.378 2.585 20 30 CFEDMN COc1cc2ccnc(NCCCCC#N)c2cc1OC ZINC000596108254 349796463 /nfs/dbraw/zinc/79/64/63/349796463.db2.gz RORGAVQUKPRYFC-UHFFFAOYSA-N 0 1 285.347 2.780 20 30 CFEDMN CC(C)CCN(CCC#N)CCC(=O)N1CCC[C@@H]1C ZINC000072691259 346936743 /nfs/dbraw/zinc/93/67/43/346936743.db2.gz RPHSBMRZRSMRAM-HNNXBMFYSA-N 0 1 279.428 2.649 20 30 CFEDMN N#CC1(C(=O)Nc2ccn(-c3ccncc3)n2)CCCCC1 ZINC000072703070 346937748 /nfs/dbraw/zinc/93/77/48/346937748.db2.gz BZAUPCLHOMVQBR-UHFFFAOYSA-N 0 1 295.346 2.680 20 30 CFEDMN CCc1nc([C@H](C)NC(=O)N[C@H]2CCC(C)(C)C2)n[nH]1 ZINC000329099111 529745959 /nfs/dbraw/zinc/74/59/59/529745959.db2.gz ZAPCUTSGKZULQP-UWVGGRQHSA-N 0 1 279.388 2.510 20 30 CFEDMN CN(CC#Cc1cccc(Cl)c1)[C@@H]1CCCOC1 ZINC000352219027 529823233 /nfs/dbraw/zinc/82/32/33/529823233.db2.gz BCUVECBLHOOBTM-OAHLLOKOSA-N 0 1 263.768 2.802 20 30 CFEDMN CN(CC#Cc1ccc(Cl)cc1)[C@@H]1CCCOC1 ZINC000352186801 529823326 /nfs/dbraw/zinc/82/33/26/529823326.db2.gz NZPRKWYQBBAUQD-OAHLLOKOSA-N 0 1 263.768 2.802 20 30 CFEDMN CC[C@H]1CN(Cc2ccc(C#N)s2)CCS1 ZINC000128044749 187348168 /nfs/dbraw/zinc/34/81/68/187348168.db2.gz LDSFMBPHGBKROW-JTQLQIEISA-N 0 1 252.408 2.947 20 30 CFEDMN CN(CC1CCCCC1)C([O-])=[NH+][C@@H]1CCn2ccnc2C1 ZINC000330201348 529864206 /nfs/dbraw/zinc/86/42/06/529864206.db2.gz XQOXQJVSARTFAJ-CQSZACIVSA-N 0 1 290.411 2.624 20 30 CFEDMN CN1CCC[C@H]1C(=O)N[C@H](CCCC#N)c1ccccc1 ZINC000352181198 530062204 /nfs/dbraw/zinc/06/22/04/530062204.db2.gz ZYFHNHWDBKMHIC-CVEARBPZSA-N 0 1 285.391 2.632 20 30 CFEDMN Cc1cc(C(C#N)C(=O)c2ccc(Cl)o2)nc(C)n1 ZINC000075440350 347076930 /nfs/dbraw/zinc/07/69/30/347076930.db2.gz VLSPXOJXXIPXRJ-VIFPVBQESA-N 0 1 275.695 2.830 20 30 CFEDMN Cc1ccc(C#N)nc1NC[C@@H]1CCN1Cc1ccccc1 ZINC000596559445 349941721 /nfs/dbraw/zinc/94/17/21/349941721.db2.gz YPRMFXAAPIYRCM-KRWDZBQOSA-N 0 1 292.386 2.948 20 30 CFEDMN CO[C@H]1CCN(Cc2ccc(C#N)cc2F)CC1(C)C ZINC000295121640 199357288 /nfs/dbraw/zinc/35/72/88/199357288.db2.gz XLVAVZBCELCEEH-HNNXBMFYSA-N 0 1 276.355 2.944 20 30 CFEDMN C[C@@H](N[C@@H](C)c1ccc(C#N)cc1)C(=O)N1CCCCCC1 ZINC000127552573 187314665 /nfs/dbraw/zinc/31/46/65/187314665.db2.gz NNVRAULYDIUJSQ-LSDHHAIUSA-N 0 1 299.418 3.000 20 30 CFEDMN Cc1ccc(NS(=O)(=O)c2cccc(C)c2C#N)cc1 ZINC000178593351 232383980 /nfs/dbraw/zinc/38/39/80/232383980.db2.gz HVRRIBXJWRAGGO-UHFFFAOYSA-N 0 1 286.356 2.976 20 30 CFEDMN COCc1ccccc1NC(=O)c1ccc(C#N)c(O)c1 ZINC000188310125 232448623 /nfs/dbraw/zinc/44/86/23/232448623.db2.gz CLZNBTPRFFGDOW-UHFFFAOYSA-N 0 1 282.299 2.663 20 30 CFEDMN Cc1c(C#N)cccc1NC(=O)c1ccc(C#N)c(O)c1 ZINC000188697906 232454364 /nfs/dbraw/zinc/45/43/64/232454364.db2.gz KWJFCJIVNQLCFV-UHFFFAOYSA-N 0 1 277.283 2.696 20 30 CFEDMN CC1CCN(CC(=O)N(CCC#N)c2ccccc2)CC1 ZINC000042975662 346374537 /nfs/dbraw/zinc/37/45/37/346374537.db2.gz RGEPLRYSSQZKDF-UHFFFAOYSA-N 0 1 285.391 2.665 20 30 CFEDMN C=C(C)CN1CCN(Cc2ccc(OC)c(F)c2)CC1 ZINC000050274024 346490469 /nfs/dbraw/zinc/49/04/69/346490469.db2.gz ABTXOXVWRWYSII-UHFFFAOYSA-N 0 1 278.371 2.528 20 30 CFEDMN CCCCNC(=O)[C@H]1CCCN(Cc2ccccc2C#N)C1 ZINC000051061185 346498899 /nfs/dbraw/zinc/49/88/99/346498899.db2.gz JDNLAEXGGANESO-KRWDZBQOSA-N 0 1 299.418 2.687 20 30 CFEDMN CCCN(Cc1ccc(C#N)cc1)C(=O)c1cc(C)[nH]n1 ZINC000054759093 346575828 /nfs/dbraw/zinc/57/58/28/346575828.db2.gz WLUJBWQLSBGJHU-UHFFFAOYSA-N 0 1 282.347 2.642 20 30 CFEDMN C=C(Cl)CN1CCCN(Cc2ccc(C#N)cc2)CC1 ZINC000055172259 346583338 /nfs/dbraw/zinc/58/33/38/346583338.db2.gz DHSBACKMYDLSEW-UHFFFAOYSA-N 0 1 289.810 2.818 20 30 CFEDMN Cc1cccc(C)c1NC(=O)CNCc1cccc(C#N)c1 ZINC000057597954 346631386 /nfs/dbraw/zinc/63/13/86/346631386.db2.gz JYYAHVYFYLYVOE-UHFFFAOYSA-N 0 1 293.370 2.903 20 30 CFEDMN CCOC(=O)CCN(Cc1ccccc1C#N)CC1CC1 ZINC000064343790 346718439 /nfs/dbraw/zinc/71/84/39/346718439.db2.gz PEXPXXJTHGQLFY-UHFFFAOYSA-N 0 1 286.375 2.723 20 30 CFEDMN CCCN(CC(=O)NCC#N)[C@@H](C)c1cc2ccccc2o1 ZINC000066496477 346764909 /nfs/dbraw/zinc/76/49/09/346764909.db2.gz SAWLXBABANZESB-ZDUSSCGKSA-N 0 1 299.374 2.846 20 30 CFEDMN C#CCN1CCC(C(=O)N(CC)c2ccc(F)cc2)CC1 ZINC000067144640 346794121 /nfs/dbraw/zinc/79/41/21/346794121.db2.gz IJTFHIBWCIIDFC-UHFFFAOYSA-N 0 1 288.366 2.524 20 30 CFEDMN CC[C@@H](O)CN1CCC[C@@H]1[C@@H](C#N)c1ccccc1 ZINC000076152499 347125423 /nfs/dbraw/zinc/12/54/23/347125423.db2.gz BEGOSZGAZVWFRQ-OWCLPIDISA-N 0 1 258.365 2.529 20 30 CFEDMN C=CCCC[C@H](C)N(C)CC(=O)Nc1cc(C)on1 ZINC000091508506 347591180 /nfs/dbraw/zinc/59/11/80/347591180.db2.gz ZZSYHGOTGVHDSN-NSHDSACASA-N 0 1 265.357 2.598 20 30 CFEDMN N#Cc1ccc(F)c(CN(CCO)CCc2ccccc2)c1 ZINC000112698699 347763646 /nfs/dbraw/zinc/76/36/46/347763646.db2.gz JRPXCIOEWIUITL-UHFFFAOYSA-N 0 1 298.361 2.734 20 30 CFEDMN N#Cc1ccc(N2N=C3CCCCC[C@@H]3C2=O)cc1 ZINC000107892674 347736697 /nfs/dbraw/zinc/73/66/97/347736697.db2.gz JAGANBXGAISWFF-ZDUSSCGKSA-N 0 1 253.305 2.841 20 30 CFEDMN N#Cc1ccc(-n2[nH]c3c(c2=O)CCCCC3)cc1 ZINC000107892674 347736700 /nfs/dbraw/zinc/73/67/00/347736700.db2.gz JAGANBXGAISWFF-ZDUSSCGKSA-N 0 1 253.305 2.841 20 30 CFEDMN C=CC1CCN(CC(=O)N[C@@H]2CCCC[C@H]2C)CC1 ZINC000111259867 347752819 /nfs/dbraw/zinc/75/28/19/347752819.db2.gz BFLRDAUQOUJROD-UKRRQHHQSA-N 0 1 264.413 2.579 20 30 CFEDMN C=C[C@H](CC(=O)NC[C@H]1CCC[N@@H+]1CC)c1ccccc1 ZINC000124635638 347825519 /nfs/dbraw/zinc/82/55/19/347825519.db2.gz PRXPUCLZIMUDKD-NVXWUHKLSA-N 0 1 286.419 2.947 20 30 CFEDMN N#Cc1ccc(CN[C@@H]2CCN(C3CCCCC3)C2=O)cc1 ZINC000131578954 347879399 /nfs/dbraw/zinc/87/93/99/347879399.db2.gz MRWQGXNSVDQZOF-QGZVFWFLSA-N 0 1 297.402 2.581 20 30 CFEDMN Cc1cc(C#N)ccc1CN1C[C@H](C)OC(C)(C)C1 ZINC000165469424 348040175 /nfs/dbraw/zinc/04/01/75/348040175.db2.gz ANNIDAURDGESIG-ZDUSSCGKSA-N 0 1 258.365 2.866 20 30 CFEDMN C=C(C)CN(CC)C(=O)CN1Cc2ccccc2C[C@@H]1C ZINC000172905961 348104008 /nfs/dbraw/zinc/10/40/08/348104008.db2.gz LNKJIHZXDMJRRD-HNNXBMFYSA-N 0 1 286.419 2.858 20 30 CFEDMN COc1cc(CNCc2cccc(C)n2)ccc1C#N ZINC000234927915 348223086 /nfs/dbraw/zinc/22/30/86/348223086.db2.gz WKKGQWFYYHLFPJ-UHFFFAOYSA-N 0 1 267.332 2.560 20 30 CFEDMN N#Cc1ccccc1C[N@H+]1[C@H](C(=O)[O-])C[C@@H]2CCCC[C@@H]21 ZINC000227221070 348186122 /nfs/dbraw/zinc/18/61/22/348186122.db2.gz NQUQTZOMPJAIMU-RCBQFDQVSA-N 0 1 284.359 2.776 20 30 CFEDMN C=CCCCCC[N@@H+]1C[C@@H]2CCC[C@@H]2[C@@H]1C(=O)[O-] ZINC000236463404 348233716 /nfs/dbraw/zinc/23/37/16/348233716.db2.gz KTUNZTCHFFJVBJ-MELADBBJSA-N 0 1 251.370 2.918 20 30 CFEDMN N#C[C@H]1CCC[C@H](NCc2cn3ccccc3n2)C1 ZINC000274228197 348334622 /nfs/dbraw/zinc/33/46/22/348334622.db2.gz RRQAZTFHWGDTPD-STQMWFEESA-N 0 1 254.337 2.506 20 30 CFEDMN N#Cc1csc(CN[C@]2(CO)CCc3ccccc32)c1 ZINC000305166266 348381544 /nfs/dbraw/zinc/38/15/44/348381544.db2.gz ORDUFEPXOXJJGL-INIZCTEOSA-N 0 1 284.384 2.543 20 30 CFEDMN C=CCN(Cc1c[nH]nn1)Cc1ccc(Cl)s1 ZINC000297775754 348365729 /nfs/dbraw/zinc/36/57/29/348365729.db2.gz GIUCNRACKMHRGH-UHFFFAOYSA-N 0 1 268.773 2.708 20 30 CFEDMN C[C@@H](C#N)C(=O)Nc1ccc2nc(C3CCC3)[nH]c2c1 ZINC000334588865 348447255 /nfs/dbraw/zinc/44/72/55/348447255.db2.gz BUFXDWQSLITIHC-VIFPVBQESA-N 0 1 268.320 2.929 20 30 CFEDMN C=CCN1CC[C@H](N(CC)Cc2c[nH]c3ccccc23)C1=O ZINC000337212477 348452664 /nfs/dbraw/zinc/45/26/64/348452664.db2.gz VOEIFOQJBGUUSW-KRWDZBQOSA-N 0 1 297.402 2.777 20 30 CFEDMN Cn1nccc1-c1ccccc1CNCC(C)(C)C#N ZINC000352882514 348498984 /nfs/dbraw/zinc/49/89/84/348498984.db2.gz HTRKGUWHFDDUHW-UHFFFAOYSA-N 0 1 268.364 2.726 20 30 CFEDMN C[C@H](C(=O)NC1(C#N)CCCCC1)N1CCC2(CC2)CC1 ZINC000366693645 348513399 /nfs/dbraw/zinc/51/33/99/348513399.db2.gz YLFVYVNADXEPJT-CQSZACIVSA-N 0 1 289.423 2.594 20 30 CFEDMN Cc1cc(CNCc2ccc(CC#N)cc2)sn1 ZINC000404342294 348591490 /nfs/dbraw/zinc/59/14/90/348591490.db2.gz TWYMRSITWJLXGK-UHFFFAOYSA-N 0 1 257.362 2.807 20 30 CFEDMN CCc1ccc([C@H](C#N)NC(=O)CN2CCC(C)(C)C2)cc1 ZINC000584790469 348716600 /nfs/dbraw/zinc/71/66/00/348716600.db2.gz PMCNCTCPHKVCEF-INIZCTEOSA-N 0 1 299.418 2.662 20 30 CFEDMN Cc1nnsc1CN[C@H]1CCCc2cc(C#N)ccc21 ZINC000589949288 348864972 /nfs/dbraw/zinc/86/49/72/348864972.db2.gz VKAMIXOBDIMYTO-AWEZNQCLSA-N 0 1 284.388 2.885 20 30 CFEDMN C[C@H]1c2ccc(F)cc2CCN1CCOCCC#N ZINC000590161277 348880704 /nfs/dbraw/zinc/88/07/04/348880704.db2.gz ZMSYCYIVHABDEA-LBPRGKRZSA-N 0 1 262.328 2.675 20 30 CFEDMN COc1cccc2c1CN(CCC(C)(C)C#N)CC2 ZINC000590760061 348944772 /nfs/dbraw/zinc/94/47/72/348944772.db2.gz PJRMEMZOWIDMFF-UHFFFAOYSA-N 0 1 258.365 2.993 20 30 CFEDMN C[C@@H](CC#N)N(C)C[C@@H]1CCCN(C(=O)C(C)(C)C)C1 ZINC000590602102 348913592 /nfs/dbraw/zinc/91/35/92/348913592.db2.gz FLYXJXHWYXHXSF-KBPBESRZSA-N 0 1 279.428 2.505 20 30 CFEDMN COC(=O)c1cc(CN2CCC(CC#N)CC2)cs1 ZINC000591026721 348980244 /nfs/dbraw/zinc/98/02/44/348980244.db2.gz IIKCRQUCQWHMJX-UHFFFAOYSA-N 0 1 278.377 2.660 20 30 CFEDMN CO[C@@]1(C(F)(F)F)CCCN([C@@H](C)CCC#N)C1 ZINC000591031533 348981441 /nfs/dbraw/zinc/98/14/41/348981441.db2.gz SBTNEWOXZPOYOE-QWRGUYRKSA-N 0 1 264.291 2.722 20 30 CFEDMN N#Cc1cccc(NC(=O)CN2CC[C@@H](C3CCC3)C2)c1 ZINC000591062066 348983023 /nfs/dbraw/zinc/98/30/23/348983023.db2.gz UIVXDSICJLIORV-OAHLLOKOSA-N 0 1 283.375 2.619 20 30 CFEDMN CC(C)[C@H](C#N)N1CCN(CC2CCC(F)(F)CC2)CC1 ZINC000590954537 348971033 /nfs/dbraw/zinc/97/10/33/348971033.db2.gz IDGINHDOXOPMLG-HNNXBMFYSA-N 0 1 299.409 2.978 20 30 CFEDMN CN(Cc1ccncc1C#N)C1Cc2ccccc2C1 ZINC000592061550 349077670 /nfs/dbraw/zinc/07/76/70/349077670.db2.gz MQCJVBDTJTWCIH-UHFFFAOYSA-N 0 1 263.344 2.552 20 30 CFEDMN N#Cc1cccc([C@@H]2C[C@H]2c2nc([C@@H]3CCCN3)no2)c1 ZINC000592356136 349107585 /nfs/dbraw/zinc/10/75/85/349107585.db2.gz XSWCAVQOLDHLFR-MJBXVCDLSA-N 0 1 280.331 2.637 20 30 CFEDMN Cc1ccccc1C1(NCC(=O)N[C@](C)(C#N)C(C)C)CC1 ZINC000592139330 349089910 /nfs/dbraw/zinc/08/99/10/349089910.db2.gz AESOCMSQVOINJU-QGZVFWFLSA-N 0 1 299.418 2.628 20 30 CFEDMN C[C@@H](Oc1ccc(C#N)cc1)c1nc([C@H]2CCCN2)no1 ZINC000592356992 349107678 /nfs/dbraw/zinc/10/76/78/349107678.db2.gz PFFFDNANPQQGBB-ZWNOBZJWSA-N 0 1 284.319 2.506 20 30 CFEDMN CC[C@@H](c1ccc(F)cc1)N1CC[C@](O)(CC#N)C1 ZINC000592150524 349091863 /nfs/dbraw/zinc/09/18/63/349091863.db2.gz FVOVNMMJIWYNIS-LSDHHAIUSA-N 0 1 262.328 2.627 20 30 CFEDMN CC(C)(C#N)CCN[C@@H](CCO)c1ccccc1F ZINC000592159081 349093409 /nfs/dbraw/zinc/09/34/09/349093409.db2.gz BBIRJENGKXDJME-AWEZNQCLSA-N 0 1 264.344 2.779 20 30 CFEDMN C[C@H](Oc1ccccc1C#N)c1nc([C@H]2CCCN2)no1 ZINC000592357183 349108051 /nfs/dbraw/zinc/10/80/51/349108051.db2.gz SPINGQYENYAYLO-CMPLNLGQSA-N 0 1 284.319 2.506 20 30 CFEDMN CCN(CCSC)[C@@H](C)C(=O)Nc1ccccc1C#N ZINC000592198905 349098131 /nfs/dbraw/zinc/09/81/31/349098131.db2.gz LXTOAKTZKCKZJJ-LBPRGKRZSA-N 0 1 291.420 2.570 20 30 CFEDMN N#Cc1ncccc1NC[C@H](c1ccco1)N1CCCC1 ZINC000273986339 192389886 /nfs/dbraw/zinc/38/98/86/192389886.db2.gz IHLQZBLTPLJZFA-OAHLLOKOSA-N 0 1 282.347 2.795 20 30 CFEDMN COc1ccc(CN2CC[C@]3(CC3(F)F)C2)cc1C#N ZINC000593118810 349214338 /nfs/dbraw/zinc/21/43/38/349214338.db2.gz SLDXMHKXUZSRNO-AWEZNQCLSA-N 0 1 278.302 2.798 20 30 CFEDMN CC[C@H](NCC(=O)N(CC)CCC#N)c1ccccc1F ZINC000593065379 349200649 /nfs/dbraw/zinc/20/06/49/349200649.db2.gz VNUHQSWJNFSGAK-HNNXBMFYSA-N 0 1 291.370 2.629 20 30 CFEDMN CC[C@@H](C(=O)[O-])[N@@H+](C)Cc1cccc(OCCCC#N)c1 ZINC000593331345 349249162 /nfs/dbraw/zinc/24/91/62/349249162.db2.gz DASJCGIIBZTDQG-HNNXBMFYSA-N 0 1 290.363 2.664 20 30 CFEDMN CC[C@@H](C#N)C(=O)NC[C@H](c1cccs1)N1CCCC1 ZINC000593392172 349259466 /nfs/dbraw/zinc/25/94/66/349259466.db2.gz PPEACZWZFRRMAS-QWHCGFSZSA-N 0 1 291.420 2.551 20 30 CFEDMN CC[C@@H](C#N)C(=O)NC[C@@H](c1ccc(Cl)cc1)N(C)C ZINC000593501458 349285755 /nfs/dbraw/zinc/28/57/55/349285755.db2.gz ZTZHOPMQCZURQY-FZMZJTMJSA-N 0 1 293.798 2.609 20 30 CFEDMN N#Cc1ccc(CN2CC[C@]3(CC3(F)F)C2)s1 ZINC000593696888 349311625 /nfs/dbraw/zinc/31/16/25/349311625.db2.gz IHDOLTJKVSRXEO-NSHDSACASA-N 0 1 254.305 2.851 20 30 CFEDMN Cn1ncc(C2CCC2)c1CN1CCC[C@H](CC#N)C1 ZINC000597176712 350044452 /nfs/dbraw/zinc/04/44/52/350044452.db2.gz JKAFGVGTTZNGSW-CYBMUJFWSA-N 0 1 272.396 2.813 20 30 CFEDMN Cn1ncc(C2CCC2)c1CN1CCC[C@@H](CC#N)C1 ZINC000597176713 350044482 /nfs/dbraw/zinc/04/44/82/350044482.db2.gz JKAFGVGTTZNGSW-ZDUSSCGKSA-N 0 1 272.396 2.813 20 30 CFEDMN CC(=O)Nc1ccccc1CN1CCC[C@H](CC#N)C1 ZINC000597176139 350044710 /nfs/dbraw/zinc/04/47/10/350044710.db2.gz FTIAVONGBMLQDZ-CQSZACIVSA-N 0 1 271.364 2.771 20 30 CFEDMN CCN(C)c1ccc(CN2CCC[C@@H](CC#N)C2)cn1 ZINC000597178114 350045381 /nfs/dbraw/zinc/04/53/81/350045381.db2.gz VSYCYXKEWTUFAN-AWEZNQCLSA-N 0 1 272.396 2.663 20 30 CFEDMN CCO[C@@H]1C[C@@H](NCC2(C#N)CCCCC2)[C@H]1SC ZINC000597215475 350059470 /nfs/dbraw/zinc/05/94/70/350059470.db2.gz CQLONJYRSLVHAP-MGPQQGTHSA-N 0 1 282.453 2.959 20 30 CFEDMN C[C@@]1(C#N)CCN(CCCc2ccc3c(c2)CCO3)C1 ZINC000597233028 350066630 /nfs/dbraw/zinc/06/66/30/350066630.db2.gz ZLPRMTJLQQRWTJ-KRWDZBQOSA-N 0 1 270.376 2.790 20 30 CFEDMN CN(C)Cc1ccsc1C(=O)N1CCC[C@H](CC#N)C1 ZINC000597907921 350154361 /nfs/dbraw/zinc/15/43/61/350154361.db2.gz KGMXIHGGDSAOQZ-GFCCVEGCSA-N 0 1 291.420 2.576 20 30 CFEDMN CN(C)Cc1ccsc1C(=O)N1CCC[C@@H](CC#N)C1 ZINC000597907922 350154590 /nfs/dbraw/zinc/15/45/90/350154590.db2.gz KGMXIHGGDSAOQZ-LBPRGKRZSA-N 0 1 291.420 2.576 20 30 CFEDMN C#CCNC(=O)[C@@H](C)N[C@H](CC)c1ccc(Cl)s1 ZINC000273489624 192172224 /nfs/dbraw/zinc/17/22/24/192172224.db2.gz KEQATADJLKTDSS-NXEZZACHSA-N 0 1 284.812 2.580 20 30 CFEDMN N#CCCCCCC(=O)NC[C@H]1CCN1Cc1ccccc1 ZINC000598508556 350278511 /nfs/dbraw/zinc/27/85/11/350278511.db2.gz CRDWNWJXEUPFDX-QGZVFWFLSA-N 0 1 299.418 2.851 20 30 CFEDMN CCOc1cncc(CNCc2ccc(C#N)c(F)c2)c1 ZINC000598643906 350300301 /nfs/dbraw/zinc/30/03/01/350300301.db2.gz WWGUZBIQSMRXNR-UHFFFAOYSA-N 0 1 285.322 2.781 20 30 CFEDMN CCC(CC)c1cc(CNC[C@@H](O)CC(C)(C)C#N)on1 ZINC000598718553 350317344 /nfs/dbraw/zinc/31/73/44/350317344.db2.gz GHNXWOHEISOTML-ZDUSSCGKSA-N 0 1 293.411 2.969 20 30 CFEDMN CC(C)(C)c1csc(CNC[C@H](O)CC(C)(C)C#N)n1 ZINC000598721082 350317577 /nfs/dbraw/zinc/31/75/77/350317577.db2.gz RUEVFKAUYXVXEJ-LLVKDONJSA-N 0 1 295.452 2.831 20 30 CFEDMN CCO[C@@H]1C[C@H](N(C)Cc2ccc(C#N)o2)C12CCC2 ZINC000092040956 180311373 /nfs/dbraw/zinc/31/13/73/180311373.db2.gz NSSAIJYQMXPSER-LSDHHAIUSA-N 0 1 274.364 2.931 20 30 CFEDMN Cc1cc(CNCCCC#N)ncc1Br ZINC000598972444 350351975 /nfs/dbraw/zinc/35/19/75/350351975.db2.gz RMFVRQXEGFERSR-UHFFFAOYSA-N 0 1 268.158 2.546 20 30 CFEDMN Cc1ccc(CN2CCC(NC(=O)C(C)C)CC2)cc1C#N ZINC000599264259 350401181 /nfs/dbraw/zinc/40/11/81/350401181.db2.gz RKCWTCVEQKKAPU-UHFFFAOYSA-N 0 1 299.418 2.603 20 30 CFEDMN CC#CCCN1CCC(c2ncc(C(=O)OC)s2)CC1 ZINC000599555884 350455721 /nfs/dbraw/zinc/45/57/21/350455721.db2.gz YEWQUVGCHFKVMP-UHFFFAOYSA-N 0 1 292.404 2.523 20 30 CFEDMN C/C=C\C[C@@H]1CCCN([C@H](C(N)=O)c2ccc(C#N)cc2)C1 ZINC000599689275 350482908 /nfs/dbraw/zinc/48/29/08/350482908.db2.gz IMOZFPJPPLQVBI-HTGBSUJWSA-N 0 1 297.402 2.763 20 30 CFEDMN CN(Cc1cn2ccccc2c1C#N)C[C@H]1CCCOC1 ZINC000107688472 186186012 /nfs/dbraw/zinc/18/60/12/186186012.db2.gz DTXYEASISDVABA-CQSZACIVSA-N 0 1 283.375 2.669 20 30 CFEDMN C=CC1CCN(CC(=O)NC2CCCCCC2)CC1 ZINC000600684862 350596608 /nfs/dbraw/zinc/59/66/08/350596608.db2.gz NHXHWBKGPZBJTI-UHFFFAOYSA-N 0 1 264.413 2.723 20 30 CFEDMN C[C@@H](C#N)n1cc(-c2ccc(F)c(CN(C)C)c2)cn1 ZINC000600791541 350612871 /nfs/dbraw/zinc/61/28/71/350612871.db2.gz RDPILCHNAACQEO-NSHDSACASA-N 0 1 272.327 2.835 20 30 CFEDMN N#CCCN[C@@H]1[C@H]2Cc3c(cccc3Br)[C@@H]12 ZINC000601968980 350821144 /nfs/dbraw/zinc/82/11/44/350821144.db2.gz QCJLSPSCJUIHMO-CYZMBNFOSA-N 0 1 277.165 2.590 20 30 CFEDMN Cc1nc2c(cccc2C(=O)N(C)[C@H]2CCC[C@@H]2C#N)[nH]1 ZINC000601817311 350784326 /nfs/dbraw/zinc/78/43/26/350784326.db2.gz MJOZAUKFDKFHLV-RISCZKNCSA-N 0 1 282.347 2.636 20 30 CFEDMN Cc1[nH]n(Cc2cccc(Cl)c2)c(=O)c1CCC#N ZINC000601938240 350810228 /nfs/dbraw/zinc/81/02/28/350810228.db2.gz FBAUHMICZJABJP-CYBMUJFWSA-N 0 1 275.739 2.978 20 30 CFEDMN Cc1[nH]n(Cc2cc(F)ccc2F)c(=O)c1CCC#N ZINC000601939344 350810441 /nfs/dbraw/zinc/81/04/41/350810441.db2.gz NSDFUTGFJGEDTH-LBPRGKRZSA-N 0 1 277.274 2.603 20 30 CFEDMN CCC(CC)(CO)CNCc1cccc(F)c1C#N ZINC000602010544 350829768 /nfs/dbraw/zinc/82/97/68/350829768.db2.gz FGHPXCWFVLUMOH-UHFFFAOYSA-N 0 1 264.344 2.586 20 30 CFEDMN CC[C@H](CSC)NCc1cccc(F)c1C#N ZINC000602016123 350832136 /nfs/dbraw/zinc/83/21/36/350832136.db2.gz VGDKTNGXERQDLP-LLVKDONJSA-N 0 1 252.358 2.929 20 30 CFEDMN Cc1ccc(CCNCc2cccc(F)c2C#N)nc1 ZINC000602019872 350833671 /nfs/dbraw/zinc/83/36/71/350833671.db2.gz KMZAVIARYBYXDZ-UHFFFAOYSA-N 0 1 269.323 2.733 20 30 CFEDMN C[C@H](NC(=O)[C@@H]1CCN1C1CCCC1)c1cccc(C#N)c1 ZINC000602109663 350841921 /nfs/dbraw/zinc/84/19/21/350841921.db2.gz UJOFXXPUPBSNIE-GUYCJALGSA-N 0 1 297.402 2.752 20 30 CFEDMN CN(CC(=O)Nc1cc(F)cc(C#N)c1)CC(C)(C)C ZINC000602197987 350851599 /nfs/dbraw/zinc/85/15/99/350851599.db2.gz NTQFZKHGFMWCML-UHFFFAOYSA-N 0 1 277.343 2.614 20 30 CFEDMN C=CC1CCN(Cc2ccc(C(=O)OCC)[nH]2)CC1 ZINC000602477235 350898921 /nfs/dbraw/zinc/89/89/21/350898921.db2.gz ZOOIFRJLAOTPBK-UHFFFAOYSA-N 0 1 262.353 2.589 20 30 CFEDMN C[C@H]([C@@H]1Cc2ccccc2O1)N(C)Cc1cccc(C#N)n1 ZINC000602486805 350902949 /nfs/dbraw/zinc/90/29/49/350902949.db2.gz PUEQOMSVTBDJFD-ACJLOTCBSA-N 0 1 293.370 2.777 20 30 CFEDMN COc1cccc(OC)c1CN1CCC(CC#N)CC1 ZINC000602596716 350939667 /nfs/dbraw/zinc/93/96/67/350939667.db2.gz NOOGDMVLKLKAQZ-UHFFFAOYSA-N 0 1 274.364 2.829 20 30 CFEDMN COc1cccc([C@H](C)NCc2cccc(C#N)n2)c1 ZINC000602522239 350914242 /nfs/dbraw/zinc/91/42/42/350914242.db2.gz SEOPEEODTMUISY-LBPRGKRZSA-N 0 1 267.332 2.813 20 30 CFEDMN N#Cc1cccc(CN[C@H](CCCO)c2ccccc2)n1 ZINC000602553825 350922697 /nfs/dbraw/zinc/92/26/97/350922697.db2.gz VTGKQZOJILAJOU-QGZVFWFLSA-N 0 1 281.359 2.557 20 30 CFEDMN Cc1nc(CN[C@@H](C)CC2(C#N)CCOCC2)sc1C ZINC000602557032 350923632 /nfs/dbraw/zinc/92/36/32/350923632.db2.gz JCBABLZXZYRNBO-NSHDSACASA-N 0 1 293.436 2.949 20 30 CFEDMN Cc1cnn(-c2ccncc2NC[C@H](C)CCC#N)c1 ZINC000602581018 350933910 /nfs/dbraw/zinc/93/39/10/350933910.db2.gz STFNBWSUNWSEDN-GFCCVEGCSA-N 0 1 269.352 2.928 20 30 CFEDMN CCc1cnc(N2CCN(C[C@H](C)CCC#N)CC2)s1 ZINC000602471116 350894861 /nfs/dbraw/zinc/89/48/61/350894861.db2.gz FPSLFTDXLYGQDF-CYBMUJFWSA-N 0 1 292.452 2.767 20 30 CFEDMN C=CC1CCN(Cc2cc(C(=O)OC)cs2)CC1 ZINC000602471148 350895110 /nfs/dbraw/zinc/89/51/10/350895110.db2.gz GTVGKTBKAKIEHY-UHFFFAOYSA-N 0 1 265.378 2.933 20 30 CFEDMN CCc1noc(C)c1CN[C@@H](C)CC1(C#N)CCOCC1 ZINC000602673017 350972008 /nfs/dbraw/zinc/97/20/08/350972008.db2.gz BBWOCEFYYHAVBD-LBPRGKRZSA-N 0 1 291.395 2.734 20 30 CFEDMN CC(C)[C@@H]1N(Cc2cccc(C#N)n2)CC12CCOCC2 ZINC000602691747 350981884 /nfs/dbraw/zinc/98/18/84/350981884.db2.gz SRCSKOZTFKNWPY-INIZCTEOSA-N 0 1 285.391 2.590 20 30 CFEDMN CCC[C@@H](CN1CCN(c2ccsc2C#N)CC1)OC ZINC000602706170 350989748 /nfs/dbraw/zinc/98/97/48/350989748.db2.gz IOABPZJFWNODCW-ZDUSSCGKSA-N 0 1 293.436 2.557 20 30 CFEDMN COc1ccc([C@@H](NCc2cccc(C#N)n2)C2CC2)cn1 ZINC000602732137 351004747 /nfs/dbraw/zinc/00/47/47/351004747.db2.gz ZMJZIYVRQAAETH-KRWDZBQOSA-N 0 1 294.358 2.598 20 30 CFEDMN CCN(C#N)CCN(CC)[C@H](C)c1ccc(C#N)cc1 ZINC000602764340 351017050 /nfs/dbraw/zinc/01/70/50/351017050.db2.gz QLXBMXSDIQEOEP-CQSZACIVSA-N 0 1 270.380 2.744 20 30 CFEDMN CC(=O)N1CCN(CC2(CC#N)CC2)CC12CCCCC2 ZINC000602800586 351030381 /nfs/dbraw/zinc/03/03/81/351030381.db2.gz QNMKZICQNJZDDG-UHFFFAOYSA-N 0 1 289.423 2.547 20 30 CFEDMN CC(C)(C)OC(=O)[C@H]1CCC[N@@H+](CC2(CC#N)CC2)C1 ZINC000602812411 351034859 /nfs/dbraw/zinc/03/48/59/351034859.db2.gz WBXRIGIVIZSLSG-ZDUSSCGKSA-N 0 1 278.396 2.734 20 30 CFEDMN C[C@@H](c1cccc(C#N)c1)N1C[C@@H](C)N(CC#N)[C@@H](C)C1 ZINC000602853825 351046019 /nfs/dbraw/zinc/04/60/19/351046019.db2.gz MCCDBLBIZPUGDQ-ZNMIVQPWSA-N 0 1 282.391 2.537 20 30 CFEDMN C[C@H](c1cnccn1)N1CCC(c2ccc(C#N)cn2)CC1 ZINC000602908918 351063288 /nfs/dbraw/zinc/06/32/88/351063288.db2.gz WUCOFCXBLQERCC-CYBMUJFWSA-N 0 1 293.374 2.684 20 30 CFEDMN CN1CCN(C(=O)c2ccc(CC#N)cc2)C[C@@H]1C(C)(C)C ZINC000603144138 351110430 /nfs/dbraw/zinc/11/04/30/351110430.db2.gz WPIHPIBJWXSJDR-MRXNPFEDSA-N 0 1 299.418 2.555 20 30 CFEDMN C[C@@H](c1cccc(C#N)c1)N1C[C@@H](CO)[C@H](C(F)(F)F)C1 ZINC000602988553 351085460 /nfs/dbraw/zinc/08/54/60/351085460.db2.gz NQRLBXQUBWOKAY-LEWSCRJBSA-N 0 1 298.308 2.722 20 30 CFEDMN Cc1[nH]n(Cc2ccc(F)c(F)c2)c(=O)c1CCC#N ZINC000603921300 351192115 /nfs/dbraw/zinc/19/21/15/351192115.db2.gz PUNJHTLSPRFLSH-LLVKDONJSA-N 0 1 277.274 2.603 20 30 CFEDMN C=CCCCN(C)C(=O)c1cc(-c2ccoc2)[nH]n1 ZINC000605677350 351256098 /nfs/dbraw/zinc/25/60/98/351256098.db2.gz YFZYUBVSPPEROI-UHFFFAOYSA-N 0 1 259.309 2.708 20 30 CFEDMN N#CC1(C(=O)NCc2nc3ccc(Cl)cc3[nH]2)CCC1 ZINC000609875251 351525215 /nfs/dbraw/zinc/52/52/15/351525215.db2.gz BXERCPPVIALVJG-UHFFFAOYSA-N 0 1 288.738 2.526 20 30 CFEDMN CC(C)[C@H](C#N)N1CCN(C[C@H](C)c2ccccc2)CC1 ZINC000609739050 351517749 /nfs/dbraw/zinc/51/77/49/351517749.db2.gz RGVVGPHPXOYYHO-WMZOPIPTSA-N 0 1 285.435 2.956 20 30 CFEDMN CCN(CC)Cc1ccc(C(=O)N[C@@H](C#N)C(C)(C)C)o1 ZINC000610659845 351589349 /nfs/dbraw/zinc/58/93/49/351589349.db2.gz HFTUTWBUFXAPJM-AWEZNQCLSA-N 0 1 291.395 2.789 20 30 CFEDMN CCC(CC)NC(=O)[C@@H](C)N[C@@H](C)c1cccc(C#N)c1 ZINC000610345844 351557039 /nfs/dbraw/zinc/55/70/39/351557039.db2.gz ACOZDFPIQKVUIV-QWHCGFSZSA-N 0 1 287.407 2.902 20 30 CFEDMN C[C@@H]([C@@H]1Cc2ccccc2O1)N(C)Cc1ccnc(C#N)c1 ZINC000610995092 351632461 /nfs/dbraw/zinc/63/24/61/351632461.db2.gz DQVPFQWWOQXMQL-UGSOOPFHSA-N 0 1 293.370 2.777 20 30 CFEDMN CC(C)(C#N)c1ccccc1CN1CCc2cn[nH]c2C1 ZINC000611009269 351633446 /nfs/dbraw/zinc/63/34/46/351633446.db2.gz WNCVLRBRBPXLFB-UHFFFAOYSA-N 0 1 280.375 2.769 20 30 CFEDMN N#CCCN1CCN(CCCc2ccc(Cl)cc2)CC1 ZINC000611174301 351647102 /nfs/dbraw/zinc/64/71/02/351647102.db2.gz CBIKQIMRPRDIRD-UHFFFAOYSA-N 0 1 291.826 2.804 20 30 CFEDMN CCN(Cc1cn[nH]c1)[C@@H](C)c1ccc(C#N)cc1 ZINC000611256483 351659305 /nfs/dbraw/zinc/65/93/05/351659305.db2.gz YYDVNDNMPBKPJA-LBPRGKRZSA-N 0 1 254.337 2.864 20 30 CFEDMN Cc1cc(CNC(=O)Nc2ccc(C#N)cc2Cl)n[nH]1 ZINC000610877353 351618312 /nfs/dbraw/zinc/61/83/12/351618312.db2.gz ZMDIQNIQALHXNB-UHFFFAOYSA-N 0 1 289.726 2.565 20 30 CFEDMN COc1ccc(CN2CCC(OC(C)C)CC2)cc1C#N ZINC000610992763 351630151 /nfs/dbraw/zinc/63/01/51/351630151.db2.gz ICIJWSHCGHTUGG-UHFFFAOYSA-N 0 1 288.391 2.956 20 30 CFEDMN C[C@@H](NCc1ccnc(C#N)c1)c1cccc(C#N)c1 ZINC000611386136 351678466 /nfs/dbraw/zinc/67/84/66/351678466.db2.gz DROXZZORUBIXPC-GFCCVEGCSA-N 0 1 262.316 2.676 20 30 CFEDMN CCC(C)(C)NC(=O)CN[C@@H](C)c1cccc(C#N)c1 ZINC000611388685 351679011 /nfs/dbraw/zinc/67/90/11/351679011.db2.gz RLQOTWUNVUOHNB-LBPRGKRZSA-N 0 1 273.380 2.514 20 30 CFEDMN CC[C@@H]1CCCCN1C(=O)CN[C@@H](C)c1cccc(C#N)c1 ZINC000611388101 351679445 /nfs/dbraw/zinc/67/94/45/351679445.db2.gz WZPZJLLVUWHHCL-WMLDXEAASA-N 0 1 299.418 3.000 20 30 CFEDMN CCC(C)(C)NC(=O)CN[C@H](C)c1cccc(C#N)c1 ZINC000611388684 351679739 /nfs/dbraw/zinc/67/97/39/351679739.db2.gz RLQOTWUNVUOHNB-GFCCVEGCSA-N 0 1 273.380 2.514 20 30 CFEDMN Cc1ccc(C#N)nc1N1CCN(Cc2ccccc2)CC1 ZINC000611398716 351682391 /nfs/dbraw/zinc/68/23/91/351682391.db2.gz ONEVHPDFSUPKMP-UHFFFAOYSA-N 0 1 292.386 2.584 20 30 CFEDMN COc1ccc(C2(NCc3ccnc(C#N)c3)CC2)cc1 ZINC000611394854 351682471 /nfs/dbraw/zinc/68/24/71/351682471.db2.gz MGUAJBWHKCPTAI-UHFFFAOYSA-N 0 1 279.343 2.741 20 30 CFEDMN Cc1ccccc1C[N@H+]1CCCN(CC2(C#N)CC2)CC1 ZINC000611429004 351688032 /nfs/dbraw/zinc/68/80/32/351688032.db2.gz XGCUFEUODPHZEL-UHFFFAOYSA-N 0 1 283.419 2.807 20 30 CFEDMN CCOC(=O)CCCCCN1CCC[C@](C)(C#N)C1 ZINC000612164889 351783216 /nfs/dbraw/zinc/78/32/16/351783216.db2.gz JVHATBAFGGHOCW-OAHLLOKOSA-N 0 1 266.385 2.736 20 30 CFEDMN N#Cc1ccc2ncc(CNCc3ccc(F)cc3)n2c1 ZINC000123127445 187072549 /nfs/dbraw/zinc/07/25/49/187072549.db2.gz QBDQGNLDIGSMKF-UHFFFAOYSA-N 0 1 280.306 2.635 20 30 CFEDMN Cc1csc([C@H](C)CNC[C@@H](C#N)CCC#N)n1 ZINC000612599707 351842143 /nfs/dbraw/zinc/84/21/43/351842143.db2.gz PQAHMWDDASXANJ-ZYHUDNBSSA-N 0 1 262.382 2.588 20 30 CFEDMN Cc1cc([C@@H](C#N)C(=O)c2cc(C(C)(C)C)[nH]n2)nc(C)n1 ZINC000613296382 351934302 /nfs/dbraw/zinc/93/43/02/351934302.db2.gz VEELEIIOKMVASX-LLVKDONJSA-N 0 1 297.362 2.604 20 30 CFEDMN Cc1cc(C(C#N)C(=O)c2cc(C(C)(C)C)[nH]n2)nc(C)n1 ZINC000613296382 351934305 /nfs/dbraw/zinc/93/43/05/351934305.db2.gz VEELEIIOKMVASX-LLVKDONJSA-N 0 1 297.362 2.604 20 30 CFEDMN N#Cc1cc(CN2CC[C@@]3(C2)OCc2ccccc23)ccn1 ZINC000613746101 352003883 /nfs/dbraw/zinc/00/38/83/352003883.db2.gz VXQZJLHZKSKVAW-SFHVURJKSA-N 0 1 291.354 2.585 20 30 CFEDMN C[C@@H](C[S@@](C)=O)N(C)Cc1ccc(C(C)(C)C#N)cc1 ZINC000614184070 352057811 /nfs/dbraw/zinc/05/78/11/352057811.db2.gz YUKGTKYXWJQJCD-RNODOKPDSA-N 0 1 292.448 2.687 20 30 CFEDMN C=CC[C@@H](C(=O)N1CCC2(CN(C)C2)C1)c1ccccc1 ZINC000614038159 352039999 /nfs/dbraw/zinc/03/99/99/352039999.db2.gz LZNUHEWUNCPETM-MRXNPFEDSA-N 0 1 284.403 2.510 20 30 CFEDMN Cc1cc(C#N)ccc1CN1CCOC(C)(C)[C@@H]1C ZINC000614402660 352090000 /nfs/dbraw/zinc/09/00/00/352090000.db2.gz PBXPIKNBVZMKQD-ZDUSSCGKSA-N 0 1 258.365 2.866 20 30 CFEDMN CC[C@]1(C)COCCN1Cc1ccc(C#N)cc1C ZINC000614403365 352090058 /nfs/dbraw/zinc/09/00/58/352090058.db2.gz UZORHSSTLBROHV-MRXNPFEDSA-N 0 1 258.365 2.868 20 30 CFEDMN COc1ccccc1N(C)C(=O)c1ccc(C#N)c(O)c1 ZINC000615427313 352192128 /nfs/dbraw/zinc/19/21/28/352192128.db2.gz IZDACRAMMNZPLC-UHFFFAOYSA-N 0 1 282.299 2.549 20 30 CFEDMN CSc1ccncc1NC(=O)c1ccc(C#N)c(O)c1 ZINC000615432124 352192429 /nfs/dbraw/zinc/19/24/29/352192429.db2.gz YYPICZMVWMPXDR-UHFFFAOYSA-N 0 1 285.328 2.633 20 30 CFEDMN Cc1cc(C#N)ccc1CN1C[C@H](C)O[C@@H](C)[C@H]1C ZINC000615000403 352140426 /nfs/dbraw/zinc/14/04/26/352140426.db2.gz YAFSOVAVRBGKKO-MJBXVCDLSA-N 0 1 258.365 2.864 20 30 CFEDMN COC(=O)[C@@H]1[C@H]2CCC[C@H]2CN1Cc1ccc(CC#N)cc1 ZINC000615633129 352221819 /nfs/dbraw/zinc/22/18/19/352221819.db2.gz RPMUSORJTDOBNH-ULQDDVLXSA-N 0 1 298.386 2.526 20 30 CFEDMN CC(C)[C@@H](C#N)N1CCN(CCCCOC(C)(C)C)CC1 ZINC000616111470 352286062 /nfs/dbraw/zinc/28/60/62/352286062.db2.gz HOYXRVFLZBUOCG-MRXNPFEDSA-N 0 1 295.471 2.747 20 30 CFEDMN C#CCOc1ccccc1CN[C@@H](CC)c1cnn(C)c1 ZINC000271494199 191173086 /nfs/dbraw/zinc/17/30/86/191173086.db2.gz PKKPZHRJZMCDFR-INIZCTEOSA-N 0 1 283.375 2.673 20 30 CFEDMN C[C@H](c1cccnc1)N1CC[C@@H](Oc2ccc(C#N)cn2)C1 ZINC000292063698 198150112 /nfs/dbraw/zinc/15/01/12/198150112.db2.gz CDUYPUSTMZSFTL-CZUORRHYSA-N 0 1 294.358 2.563 20 30 CFEDMN C=CCN(C(=O)c1cc(CCCCC)[nH]n1)[C@@H](C)COC ZINC000617585001 352599142 /nfs/dbraw/zinc/59/91/42/352599142.db2.gz QJLCWMMZQTWFJE-ZDUSSCGKSA-N 0 1 293.411 2.806 20 30 CFEDMN C=CCCNC(=O)[C@H](c1ccccc1)N(CC)CC ZINC000617615679 352604898 /nfs/dbraw/zinc/60/48/98/352604898.db2.gz XGFKIUIKZGPNIQ-HNNXBMFYSA-N 0 1 260.381 2.762 20 30 CFEDMN C=CCCNC(=O)[C@@H]1CCCCN1Cc1ccccc1 ZINC000617615966 352605194 /nfs/dbraw/zinc/60/51/94/352605194.db2.gz DKBUURGWMBNNNQ-INIZCTEOSA-N 0 1 272.392 2.733 20 30 CFEDMN CC[C@H]1CCCCN1C(=O)CN[C@@H](C)c1ccc(C#N)cc1 ZINC000271621911 191245670 /nfs/dbraw/zinc/24/56/70/191245670.db2.gz CYQJHCPFXOWROI-YOEHRIQHSA-N 0 1 299.418 3.000 20 30 CFEDMN C=CCC1(NC(=O)c2cccc3nc(C)[nH]c32)CCOCC1 ZINC000618250995 352739383 /nfs/dbraw/zinc/73/93/83/352739383.db2.gz YFLFDPSIYNJVOS-UHFFFAOYSA-N 0 1 299.374 2.726 20 30 CFEDMN C[C@@H](N[C@H](C)c1cccc(C#N)c1)c1ccnn1C ZINC000618570169 352813052 /nfs/dbraw/zinc/81/30/52/352813052.db2.gz VSVLUHIVEQHKEX-VXGBXAGGSA-N 0 1 254.337 2.704 20 30 CFEDMN C=CCN(Cc1cccc2c1OCCCO2)C1CC1 ZINC000273501407 192176826 /nfs/dbraw/zinc/17/68/26/192176826.db2.gz PFTFJRXZKGHOLO-UHFFFAOYSA-N 0 1 259.349 2.998 20 30 CFEDMN CN(Cc1cc(C(C)(C)C)[nH]n1)Cc1ccnc(C#N)c1 ZINC000618548915 352807232 /nfs/dbraw/zinc/80/72/32/352807232.db2.gz SKPISLQJXDZUTI-UHFFFAOYSA-N 0 1 283.379 2.606 20 30 CFEDMN C=CCCCCCN1CCN([C@@H](C#N)C(C)C)CC1 ZINC000618752610 352877029 /nfs/dbraw/zinc/87/70/29/352877029.db2.gz JFBMTFSOYYCIMW-INIZCTEOSA-N 0 1 263.429 2.899 20 30 CFEDMN C[C@H](N[C@H]1CCc2cc(C#N)ccc21)c1cnn(C)c1 ZINC000618805603 352884148 /nfs/dbraw/zinc/88/41/48/352884148.db2.gz OSDAWXLGUQRMJN-ZBEGNZNMSA-N 0 1 266.348 2.630 20 30 CFEDMN CC(C)(C)c1ccc(C#N)c(NCCN2CC=CCC2)n1 ZINC000619503265 353030484 /nfs/dbraw/zinc/03/04/84/353030484.db2.gz YHANKWVCXAGDKZ-UHFFFAOYSA-N 0 1 284.407 2.925 20 30 CFEDMN N#CCC1(CNCc2nc3c(s2)CCCC3)CC1 ZINC000619530040 353033401 /nfs/dbraw/zinc/03/34/01/353033401.db2.gz CAUZKIMOIVKVFZ-UHFFFAOYSA-N 0 1 261.394 2.805 20 30 CFEDMN C[C@@H](NCC(=O)N1[C@H](C)CCC[C@@H]1C)c1ccc(C#N)cc1 ZINC000271657531 191261701 /nfs/dbraw/zinc/26/17/01/191261701.db2.gz KMBPMLANQOLTEK-QLFBSQMISA-N 0 1 299.418 2.998 20 30 CFEDMN CC(C)[C@@](C)(C#N)NC(=O)[C@H](C)N[C@H](C)c1ccsc1 ZINC000619782865 353066644 /nfs/dbraw/zinc/06/66/44/353066644.db2.gz MELCCAHWLNASHA-TYNCELHUSA-N 0 1 293.436 2.842 20 30 CFEDMN C=C1C[C@H]2CC[C@@H](C1)N2C(=O)c1[nH]nc2ccccc21 ZINC000620317544 353150998 /nfs/dbraw/zinc/15/09/98/353150998.db2.gz UQGMWBGORMRYAV-TXEJJXNPSA-N 0 1 267.332 2.886 20 30 CFEDMN C=C(C)CNC(=O)[C@H]1CCCCN1Cc1ccccc1 ZINC000154256135 188131415 /nfs/dbraw/zinc/13/14/15/188131415.db2.gz JLDZMFYCNSLZQS-MRXNPFEDSA-N 0 1 272.392 2.733 20 30 CFEDMN C=C(C)C(C)(C)C(=O)NC[C@H]1CCN1Cc1ccccc1 ZINC000620778339 353231722 /nfs/dbraw/zinc/23/17/22/353231722.db2.gz DRCGMBYWUVNBPQ-MRXNPFEDSA-N 0 1 286.419 2.979 20 30 CFEDMN C=C(C)C[C@@H](C)C(=O)NC[C@H]1CCN1Cc1ccccc1 ZINC000620770589 353230365 /nfs/dbraw/zinc/23/03/65/353230365.db2.gz BGYCPOYMYJTHAC-NVXWUHKLSA-N 0 1 286.419 2.979 20 30 CFEDMN C=C(C)CN(CC)[C@H](C)C(=O)NCc1ccc(F)cc1 ZINC000155138956 188186190 /nfs/dbraw/zinc/18/61/90/188186190.db2.gz JOZQXOZYUKTLGZ-CYBMUJFWSA-N 0 1 278.371 2.728 20 30 CFEDMN CC#CCCN(C)[C@@H]1CCN(c2ccccc2Cl)C1=O ZINC000155665794 188220653 /nfs/dbraw/zinc/22/06/53/188220653.db2.gz AADIKCDIHFPNOW-OAHLLOKOSA-N 0 1 290.794 2.791 20 30 CFEDMN CCN(CC#Cc1cccc(Cl)c1)CCC(=O)OC ZINC000157184744 188302289 /nfs/dbraw/zinc/30/22/89/188302289.db2.gz RSKWECYNZCICRS-UHFFFAOYSA-N 0 1 279.767 2.577 20 30 CFEDMN N#CCCN(CCC#N)C(=O)c1cc(C2CCCCC2)[nH]n1 ZINC000158745410 188392370 /nfs/dbraw/zinc/39/23/70/188392370.db2.gz DFRAREULFXSCRM-UHFFFAOYSA-N 0 1 299.378 2.727 20 30 CFEDMN C=CC1CCN(C(=O)[C@H]2C[C@@H](C)Cc3c[nH]nc32)CC1 ZINC000623193100 353591901 /nfs/dbraw/zinc/59/19/01/353591901.db2.gz PAIGWRPDSFRDMK-FZMZJTMJSA-N 0 1 273.380 2.500 20 30 CFEDMN C=C[C@@H]1CCCCN1C(=O)[C@H]1C[C@@H](C)Cc2c[nH]nc21 ZINC000623213485 353594230 /nfs/dbraw/zinc/59/42/30/353594230.db2.gz YJZLYVKJAZNSKN-YUTCNCBUSA-N 0 1 273.380 2.643 20 30 CFEDMN C=CCCNCc1ncc(Br)cc1F ZINC000623563746 353673574 /nfs/dbraw/zinc/67/35/74/353673574.db2.gz JASFEXLATMKPSX-UHFFFAOYSA-N 0 1 259.122 2.649 20 30 CFEDMN C=CCOCCN[C@@H](C)c1cc(-c2ccccc2)n(C)n1 ZINC000623957221 353769249 /nfs/dbraw/zinc/76/92/49/353769249.db2.gz AWZPCXGSFRCEPR-AWEZNQCLSA-N 0 1 285.391 2.940 20 30 CFEDMN C=CC[C@@H]1CCN(CC(=O)N[C@H](C)c2cccs2)C1 ZINC000625701297 354089464 /nfs/dbraw/zinc/08/94/64/354089464.db2.gz ONLHIEKCLMCXAE-CHWSQXEVSA-N 0 1 278.421 2.823 20 30 CFEDMN CN(CC#Cc1ccccc1Cl)CC1(C)COC1 ZINC000625791562 354112765 /nfs/dbraw/zinc/11/27/65/354112765.db2.gz NJAFPMNXENNCEG-UHFFFAOYSA-N 0 1 263.768 2.660 20 30 CFEDMN COc1cc(C#N)ccc1CN[C@H](CCO)c1ccccc1 ZINC000271727415 191293489 /nfs/dbraw/zinc/29/34/89/191293489.db2.gz XWTAKPPCJQJXBY-QGZVFWFLSA-N 0 1 296.370 2.780 20 30 CFEDMN C=C(C)CN1CCN(Cc2cc3ccccc3[nH]2)CC1 ZINC000626073917 354187744 /nfs/dbraw/zinc/18/77/44/354187744.db2.gz FJLNXANBRHTOIT-UHFFFAOYSA-N 0 1 269.392 2.862 20 30 CFEDMN O[C@@H]1CC[C@H]2CCN(CC#Cc3ccccc3Cl)[C@@H]12 ZINC000626139739 354206788 /nfs/dbraw/zinc/20/67/88/354206788.db2.gz XDQIYKGYTRRPKB-NUEKZKHPSA-N 0 1 275.779 2.537 20 30 CFEDMN C#CC[C@@H](NCC(=O)N1CCC[C@@H](C)C1)c1ccccc1 ZINC000271741818 191302343 /nfs/dbraw/zinc/30/23/43/191302343.db2.gz VRMOIMXMOBIVAC-NVXWUHKLSA-N 0 1 284.403 2.599 20 30 CFEDMN C=CC(C)(C)CCNC(=O)c1n[nH]nc1-c1ccccc1 ZINC000628314355 354539800 /nfs/dbraw/zinc/53/98/00/354539800.db2.gz XABIDVYMFFCBHQ-UHFFFAOYSA-N 0 1 284.363 2.804 20 30 CFEDMN C=CC[C@H]1CCN(C(=O)c2cc(-c3ccoc3)[nH]n2)C1 ZINC000628485936 354603792 /nfs/dbraw/zinc/60/37/92/354603792.db2.gz XJGVCPRGJHCIBN-NSHDSACASA-N 0 1 271.320 2.708 20 30 CFEDMN C=CCN1C(=O)N=NC1S[C@H]1CCCC[C@@H]1C ZINC000629162727 354762680 /nfs/dbraw/zinc/76/26/80/354762680.db2.gz ZVAHNPNACVNZLG-UWVGGRQHSA-N 0 1 253.371 2.841 20 30 CFEDMN C=CC[C@@H]1CC[N@H+](CCOc2cccc(C(=O)[O-])c2)C1 ZINC000629366669 354789611 /nfs/dbraw/zinc/78/96/11/354789611.db2.gz SBIUWHYLCIPTBM-CYBMUJFWSA-N 0 1 275.348 2.662 20 30 CFEDMN C=CCOc1ccc(C[N@H+]2CC[C@H](C(=O)[O-])[C@H](C)C2)cc1 ZINC000629772850 354927735 /nfs/dbraw/zinc/92/77/35/354927735.db2.gz YEVMIIKYVLEUBK-CJNGLKHVSA-N 0 1 289.375 2.794 20 30 CFEDMN C=C1CCN(C[C@@H](O)COc2ccc(SC)cc2)CC1 ZINC000411267271 540054221 /nfs/dbraw/zinc/05/42/21/540054221.db2.gz BQYZBCGWWXAJLR-CQSZACIVSA-N 0 1 293.432 2.800 20 30 CFEDMN COc1ccc(CNC2(c3cccc(C#N)c3)CC2)cn1 ZINC000271771983 191316611 /nfs/dbraw/zinc/31/66/11/191316611.db2.gz JYOHBRCBHIDZHT-UHFFFAOYSA-N 0 1 279.343 2.741 20 30 CFEDMN C=CCCOCCNCc1c(OC)cc(F)cc1OC ZINC000631100903 355290759 /nfs/dbraw/zinc/29/07/59/355290759.db2.gz GCKVOKVWNQUODE-UHFFFAOYSA-N 0 1 283.343 2.525 20 30 CFEDMN C=C1CC(C)(C(=O)NC[C@H]2CCN2Cc2ccccc2)C1 ZINC000633653550 355960871 /nfs/dbraw/zinc/96/08/71/355960871.db2.gz CBCHPSKSWULLDX-MRXNPFEDSA-N 0 1 284.403 2.733 20 30 CFEDMN N#Cc1ccc(CN[C@@H]2c3ccccc3CC[C@@H]2CO)o1 ZINC000377024897 283147626 /nfs/dbraw/zinc/14/76/26/283147626.db2.gz LQVYZQHOZZSUJP-DYVFJYSZSA-N 0 1 282.343 2.537 20 30 CFEDMN CCC#C[C@H](C)N1CC[C@]2(C1)OCc1ccccc12 ZINC000681168068 540358154 /nfs/dbraw/zinc/35/81/54/540358154.db2.gz KUHWVZKLWBBPAP-WMLDXEAASA-N 0 1 255.361 2.920 20 30 CFEDMN C#CCCOc1ccc(CNCc2n[nH]c(C(C)C)n2)cc1 ZINC000294734868 199158465 /nfs/dbraw/zinc/15/84/65/199158465.db2.gz GPTSDKUEDPRELV-UHFFFAOYSA-N 0 1 298.390 2.620 20 30 CFEDMN Cc1nc(NCc2n[nH]c(C(C)C)n2)c(Cl)cc1C#N ZINC000294881081 199229438 /nfs/dbraw/zinc/22/94/38/199229438.db2.gz FFBSPDCIBMTMDZ-UHFFFAOYSA-N 0 1 290.758 2.769 20 30 CFEDMN C=CCN(CC=C)C(=O)[C@H](C)N[C@@H](C)c1cnccc1C ZINC000679946665 542256849 /nfs/dbraw/zinc/25/68/49/542256849.db2.gz XSWMFDSWDQHETK-GJZGRUSLSA-N 0 1 287.407 2.630 20 30 CFEDMN C#C[C@@H](C)NCc1cccc(Br)c1F ZINC000296980299 200052528 /nfs/dbraw/zinc/05/25/28/200052528.db2.gz VEVGNZFSHZQYJL-MRVPVSSYSA-N 0 1 256.118 2.700 20 30 CFEDMN C=C(C)C[C@@H](C)C(=O)NCc1ccc2cncn2c1 ZINC000297149106 200098346 /nfs/dbraw/zinc/09/83/46/200098346.db2.gz IQAVVJUCNRCJHZ-GFCCVEGCSA-N 0 1 257.337 2.553 20 30 CFEDMN CC#CCN(C)C(=O)Nc1ccc2nc(C(F)F)[nH]c2c1 ZINC000297714197 200266885 /nfs/dbraw/zinc/26/68/85/200266885.db2.gz JEBJMWAQHIVBGM-UHFFFAOYSA-N 0 1 292.289 2.988 20 30 CFEDMN C=CCNC(=O)CN1CCC(CCc2ccccc2)CC1 ZINC000054148403 540778417 /nfs/dbraw/zinc/77/84/17/540778417.db2.gz KPTQQBALRZDLHZ-UHFFFAOYSA-N 0 1 286.419 2.633 20 30 CFEDMN CCc1nn(C)c(CC)c1CNCc1ccc(C#N)cc1 ZINC000179009226 189161406 /nfs/dbraw/zinc/16/14/06/189161406.db2.gz JCLAKFXNNJHDOZ-UHFFFAOYSA-N 0 1 282.391 2.706 20 30 CFEDMN CCN(Cc1ccc(C#N)cc1OC)C[C@@H]1CCCO1 ZINC000179657324 189210494 /nfs/dbraw/zinc/21/04/94/189210494.db2.gz DQGYNLOBGVSJHD-HNNXBMFYSA-N 0 1 274.364 2.568 20 30 CFEDMN C=CCNC(=O)[C@H](C)N[C@H](CC)c1ccccc1OCC ZINC000179749588 189218505 /nfs/dbraw/zinc/21/85/05/189218505.db2.gz VJSIJTWBPJVOMJ-DZGCQCFKSA-N 0 1 290.407 2.817 20 30 CFEDMN Cc1noc([C@H]2CCCN(Cc3ccc(C#N)s3)C2)n1 ZINC000179715171 189215837 /nfs/dbraw/zinc/21/58/37/189215837.db2.gz LFVDWJHAWVZSIO-NSHDSACASA-N 0 1 288.376 2.691 20 30 CFEDMN C=CCNC(=O)CN[C@@H](C)c1oc2ccccc2c1C ZINC000180032636 189233710 /nfs/dbraw/zinc/23/37/10/189233710.db2.gz AHQHYTDUYDCXKF-LBPRGKRZSA-N 0 1 272.348 2.694 20 30 CFEDMN C=CCNC(=O)CN[C@@H](C)c1oc2ccccc2c1CC ZINC000180034313 189233769 /nfs/dbraw/zinc/23/37/69/189233769.db2.gz KRQWPWKZZRCPJW-LBPRGKRZSA-N 0 1 286.375 2.948 20 30 CFEDMN Cc1cc(C(C#N)C(=O)c2occ3c2CCC3)nc(C)n1 ZINC000671749116 541071958 /nfs/dbraw/zinc/07/19/58/541071958.db2.gz ACCBFTJLNQZLKC-ZDUSSCGKSA-N 0 1 281.315 2.665 20 30 CFEDMN Cc1cc([C@H](C#N)C(=O)c2occ3c2CCC3)nc(C)n1 ZINC000671749116 541071960 /nfs/dbraw/zinc/07/19/60/541071960.db2.gz ACCBFTJLNQZLKC-ZDUSSCGKSA-N 0 1 281.315 2.665 20 30 CFEDMN N#C[C@@H](C(=O)c1occ2c1CCC2)c1ccccn1 ZINC000671749617 541073536 /nfs/dbraw/zinc/07/35/36/541073536.db2.gz WGTUUQMQOFKTKX-GFCCVEGCSA-N 0 1 252.273 2.653 20 30 CFEDMN N#CC(C(=O)c1occ2c1CCC2)c1ccccn1 ZINC000671749617 541073537 /nfs/dbraw/zinc/07/35/37/541073537.db2.gz WGTUUQMQOFKTKX-GFCCVEGCSA-N 0 1 252.273 2.653 20 30 CFEDMN Cc1cccc2nc(CNc3nnc(C)c(C)c3C#N)[nH]c21 ZINC000301903809 201256047 /nfs/dbraw/zinc/25/60/47/201256047.db2.gz XQKBNAJOWZCSSI-UHFFFAOYSA-N 0 1 292.346 2.762 20 30 CFEDMN C=CCOc1cccc(NC(=O)[C@@H]2CCc3[nH]cnc3C2)c1 ZINC000667100970 541186256 /nfs/dbraw/zinc/18/62/56/541186256.db2.gz IVUFSOAMCSWOAJ-GFCCVEGCSA-N 0 1 297.358 2.718 20 30 CFEDMN COc1ccc(CC(=O)Nc2nc(-c3ccco3)n[nH]2)cc1 ZINC000073973441 541222196 /nfs/dbraw/zinc/22/21/96/541222196.db2.gz XUDMJWFFXDEPJJ-UHFFFAOYSA-N 0 1 298.302 2.904 20 30 CFEDMN N#Cc1cccc(CNCc2ccc(-c3cc[nH]n3)o2)c1 ZINC000433325627 240143945 /nfs/dbraw/zinc/14/39/45/240143945.db2.gz JOVBKAWTYBDUKA-UHFFFAOYSA-N 0 1 278.315 2.831 20 30 CFEDMN Cc1nc2ccc(NC(=O)c3cc(C#N)oc3C)cc2[nH]1 ZINC000436066005 240384833 /nfs/dbraw/zinc/38/48/33/240384833.db2.gz MXWURTKWYUAJTD-UHFFFAOYSA-N 0 1 280.287 2.897 20 30 CFEDMN N#Cc1ccc(C(=O)Nc2cccc(-c3cn[nH]n3)c2)cc1 ZINC000442661535 240977276 /nfs/dbraw/zinc/97/72/76/240977276.db2.gz CBTSXQZJUHFIDZ-UHFFFAOYSA-N 0 1 289.298 2.596 20 30 CFEDMN C[C@H](O)[C@H]1C[C@H](C)CCN1Cc1cc(C#N)ccc1F ZINC000443350069 241055103 /nfs/dbraw/zinc/05/51/03/241055103.db2.gz ZMNIUIWXJVQLFE-BFQNTYOBSA-N 0 1 276.355 2.679 20 30 CFEDMN CC[C@H]1CCN(Cc2nnc(-c3cccc(C#N)c3)o2)C1 ZINC000446729283 241317249 /nfs/dbraw/zinc/31/72/49/241317249.db2.gz ONXQWVDTDGEBKM-LBPRGKRZSA-N 0 1 282.347 2.840 20 30 CFEDMN Cc1cc(CN2CC[C@@H]([C@H](O)C(F)(F)F)C2)ccc1C#N ZINC000449673942 242100291 /nfs/dbraw/zinc/10/02/91/242100291.db2.gz RFFPNKCVUWXOEH-KGLIPLIRSA-N 0 1 298.308 2.612 20 30 CFEDMN CN(C)c1ncc(CNCc2ccc(C#N)c(F)c2)s1 ZINC000449732858 242122833 /nfs/dbraw/zinc/12/28/33/242122833.db2.gz DRKQSSWUZHHNRS-UHFFFAOYSA-N 0 1 290.367 2.510 20 30 CFEDMN COC[C@@H]1CCCCN1Cc1cn2ccccc2c1C#N ZINC000452031468 243016297 /nfs/dbraw/zinc/01/62/97/243016297.db2.gz SGJPCOFLDSDRMR-HNNXBMFYSA-N 0 1 283.375 2.812 20 30 CFEDMN CCN(CCC(=O)Nc1ccccc1C)C[C@H](C)C#N ZINC000173241196 261159100 /nfs/dbraw/zinc/15/91/00/261159100.db2.gz IXYQXYLKXIOWHI-CYBMUJFWSA-N 0 1 273.380 2.805 20 30 CFEDMN C[C@@](CO)(NCC#Cc1ccc(F)cc1)c1ccccc1 ZINC000676559027 541767046 /nfs/dbraw/zinc/76/70/46/541767046.db2.gz XAFLVBXQXYLSLG-SFHVURJKSA-N 0 1 283.346 2.675 20 30 CFEDMN C=C[C@@](C)(CCOC)C(=O)Nc1cc(C(C)=O)ccc1O ZINC000276205751 193241802 /nfs/dbraw/zinc/24/18/02/193241802.db2.gz KQHSQPKFRKMNIK-INIZCTEOSA-N 0 1 291.347 2.762 20 30 CFEDMN C=C[C@@](C)(CCOC)C(=O)NOCc1ccc(F)cc1 ZINC000276318083 193285470 /nfs/dbraw/zinc/28/54/70/193285470.db2.gz WMGAUWHOQIJXHU-HNNXBMFYSA-N 0 1 281.327 2.602 20 30 CFEDMN N#Cc1ccc(CN[C@@H]2C[C@H]2c2ccccc2F)o1 ZINC000459660577 245261585 /nfs/dbraw/zinc/26/15/85/245261585.db2.gz USZDCAIWWUQCSH-DZGCQCFKSA-N 0 1 256.280 2.936 20 30 CFEDMN COCC#CCN(C)Cc1ccc(OC(F)(F)F)cc1 ZINC000677476181 541864010 /nfs/dbraw/zinc/86/40/10/541864010.db2.gz KSDYDCGLGOOGPO-UHFFFAOYSA-N 0 1 287.281 2.667 20 30 CFEDMN C=CCC[C@@H](O)CN1CCN(c2ccccc2Cl)CC1 ZINC000033629727 372498737 /nfs/dbraw/zinc/49/87/37/372498737.db2.gz JAVZWEVEIHSLTK-CQSZACIVSA-N 0 1 294.826 2.789 20 30 CFEDMN C=CCOc1ccccc1CNCc1ccncc1 ZINC000034990984 372525498 /nfs/dbraw/zinc/52/54/98/372525498.db2.gz CXCDSEDEVFTMGC-UHFFFAOYSA-N 0 1 254.333 2.936 20 30 CFEDMN N#Cc1ccc(F)cc1CN1CC[C@@H]2C[C@@H](O)CC[C@@H]2C1 ZINC000451691436 383684710 /nfs/dbraw/zinc/68/47/10/383684710.db2.gz BYFPYTYGKNOKTB-MRRJBJDNSA-N 0 1 288.366 2.680 20 30 CFEDMN N#C[C@H](C(=O)[C@@H]1CC[C@H]1c1ccc(F)cc1)c1ccncn1 ZINC000528988321 383684943 /nfs/dbraw/zinc/68/49/43/383684943.db2.gz VCKKJKRRABJEND-ZNMIVQPWSA-N 0 1 295.317 2.986 20 30 CFEDMN C=C(C)CN(CC)C(=O)NC[C@@H](c1cccs1)N(C)C ZINC000043146105 372977325 /nfs/dbraw/zinc/97/73/25/372977325.db2.gz GTRSHIBACBUQIH-ZDUSSCGKSA-N 0 1 295.452 2.958 20 30 CFEDMN C=C(C)CN1CCC[C@@H]1C(=O)Nc1ccc(OC)cc1 ZINC000049332788 373288726 /nfs/dbraw/zinc/28/87/26/373288726.db2.gz INOHIWKCVIHIHE-OAHLLOKOSA-N 0 1 274.364 2.674 20 30 CFEDMN C=C[C@@H](CO)N[C@H](CC)c1ccccc1OC(F)F ZINC000289703308 197451914 /nfs/dbraw/zinc/45/19/14/197451914.db2.gz ITLIKGTXSYEJID-CMPLNLGQSA-N 0 1 271.307 2.876 20 30 CFEDMN C=CCN(CC=C)C(=O)[C@H](C)N(C)CCc1ccccc1 ZINC000051999871 373429265 /nfs/dbraw/zinc/42/92/65/373429265.db2.gz FTVCVPZYHKPODJ-INIZCTEOSA-N 0 1 286.419 2.750 20 30 CFEDMN CCN(CC(=O)NC(C)(C)C)[C@H](C)c1ccc(C#N)cc1 ZINC000060477596 373697385 /nfs/dbraw/zinc/69/73/85/373697385.db2.gz YVLSARPQXRTMKS-CYBMUJFWSA-N 0 1 287.407 2.856 20 30 CFEDMN CC[N@@H+](CC(=O)N(C)C1CC1)[C@H](C)c1ccc(C#N)cc1 ZINC000067457927 373979045 /nfs/dbraw/zinc/97/90/45/373979045.db2.gz MPARZSPYZDQYGV-CYBMUJFWSA-N 0 1 285.391 2.562 20 30 CFEDMN CCN(CC(=O)N(C)C1CC1)[C@H](C)c1ccc(C#N)cc1 ZINC000067457927 373979052 /nfs/dbraw/zinc/97/90/52/373979052.db2.gz MPARZSPYZDQYGV-CYBMUJFWSA-N 0 1 285.391 2.562 20 30 CFEDMN CC[C@@H](C)N(C)CC(=O)N(CCC#N)c1ccccc1 ZINC000068449590 374029388 /nfs/dbraw/zinc/02/93/88/374029388.db2.gz GYTKEUNZHAXBLN-CQSZACIVSA-N 0 1 273.380 2.664 20 30 CFEDMN COCC#CCN1CCCC[C@H]1c1ccccc1OC ZINC000677816825 541910212 /nfs/dbraw/zinc/91/02/12/541910212.db2.gz BINIJTRJZYVZLT-INIZCTEOSA-N 0 1 273.376 2.872 20 30 CFEDMN N#CC1(NC(=O)c2n[nH]c3ccccc32)CCCCC1 ZINC000073581896 374353677 /nfs/dbraw/zinc/35/36/77/374353677.db2.gz RKRPCMAKQSUSPV-UHFFFAOYSA-N 0 1 268.320 2.519 20 30 CFEDMN C[C@@H]1CCC[C@H](C)N1CC(=O)NC1(C#N)CCCCC1 ZINC000075021168 374456284 /nfs/dbraw/zinc/45/62/84/374456284.db2.gz CWAHSXKDBDDTBW-OKILXGFUSA-N 0 1 277.412 2.592 20 30 CFEDMN CCN1C[C@H](C)N(C(=O)/C=C\c2ccc(C#N)cc2)C[C@@H]1C ZINC000492263915 246237473 /nfs/dbraw/zinc/23/74/73/246237473.db2.gz UPDNDKXKLAVNJJ-KZZSIXTMSA-N 0 1 297.402 2.513 20 30 CFEDMN CC(C)N1CCN(c2nc(C(F)(F)F)ccc2C#N)CC1 ZINC000078833537 374570590 /nfs/dbraw/zinc/57/05/90/374570590.db2.gz DLEHYEKOUKSMKV-UHFFFAOYSA-N 0 1 298.312 2.502 20 30 CFEDMN CC(C)(C#N)CCN1CCN(c2ccccc2)CC1 ZINC000087595041 374826203 /nfs/dbraw/zinc/82/62/03/374826203.db2.gz BQPZEMHPWDWFBM-UHFFFAOYSA-N 0 1 257.381 2.748 20 30 CFEDMN CC[C@H](CSC)N(C)CC(=O)Nc1sccc1C#N ZINC000091098395 375042049 /nfs/dbraw/zinc/04/20/49/375042049.db2.gz DFYJKTSHOGRPPE-LLVKDONJSA-N 0 1 297.449 2.632 20 30 CFEDMN C[C@@H](NCc1cccc(C#N)c1)c1ccc(F)cn1 ZINC000092196148 375094221 /nfs/dbraw/zinc/09/42/21/375094221.db2.gz DJURHJYGFSGAAG-LLVKDONJSA-N 0 1 255.296 2.943 20 30 CFEDMN N#Cc1ccc(CN2CC[C@H](Nc3ccccc3)C2)o1 ZINC000092757872 375150252 /nfs/dbraw/zinc/15/02/52/375150252.db2.gz DUQANJQMADDDJA-AWEZNQCLSA-N 0 1 267.332 2.838 20 30 CFEDMN C=CCNC(=O)[C@H](C)N1CC=C(c2cccc(C)c2)CC1 ZINC000092822241 375159755 /nfs/dbraw/zinc/15/97/55/375159755.db2.gz UFNZSEXVWJZOGN-HNNXBMFYSA-N 0 1 284.403 2.775 20 30 CFEDMN COc1ccc(CNCc2cc(C#N)cs2)c(OC)c1 ZINC000093492415 375254319 /nfs/dbraw/zinc/25/43/19/375254319.db2.gz QAYFXJGRYFVDTR-UHFFFAOYSA-N 0 1 288.372 2.927 20 30 CFEDMN Cc1cnc(CCN(C)Cc2ccc(C#N)o2)s1 ZINC000093807199 375313369 /nfs/dbraw/zinc/31/33/69/375313369.db2.gz JJZMKYJETQTJJU-UHFFFAOYSA-N 0 1 261.350 2.591 20 30 CFEDMN C#CCN1CCC[C@@H](c2nc(-c3ccc(F)cc3)no2)C1 ZINC000102401082 375673037 /nfs/dbraw/zinc/67/30/37/375673037.db2.gz RIOIHUSCPPHKHQ-CYBMUJFWSA-N 0 1 285.322 2.688 20 30 CFEDMN Cn1cc[nH+]c1CC1CC[NH+](Cc2cccc(C#N)c2)CC1 ZINC000105875775 375792791 /nfs/dbraw/zinc/79/27/91/375792791.db2.gz RSLGYNSPQXGCBC-UHFFFAOYSA-N 0 1 294.402 2.746 20 30 CFEDMN C=CCCCN(CC)Cc1nc2ccccc2c(=O)[nH]1 ZINC000117870679 376262523 /nfs/dbraw/zinc/26/25/23/376262523.db2.gz GTVLFERCJMDHDU-UHFFFAOYSA-N 0 1 271.364 2.711 20 30 CFEDMN CC(C)CO[C@H]1CCN(Cc2ccc(F)c(C#N)c2)C1 ZINC000119598508 376443374 /nfs/dbraw/zinc/44/33/74/376443374.db2.gz AZLDMHOVNHXWTH-HNNXBMFYSA-N 0 1 276.355 2.944 20 30 CFEDMN COc1ccc2c(c1)CN(CCC(C)(C)C#N)CC2 ZINC000119900441 376502575 /nfs/dbraw/zinc/50/25/75/376502575.db2.gz HFTFKIMETMTPIG-UHFFFAOYSA-N 0 1 258.365 2.993 20 30 CFEDMN CC[C@H]1C[N@@H+](Cc2ccc(C#N)cc2OC)CCS1 ZINC000121092930 376758874 /nfs/dbraw/zinc/75/88/74/376758874.db2.gz SBYUSFFTVIQACT-AWEZNQCLSA-N 0 1 276.405 2.894 20 30 CFEDMN CC[C@H]1CN(Cc2ccc(C#N)cc2OC)CCS1 ZINC000121092930 376758882 /nfs/dbraw/zinc/75/88/82/376758882.db2.gz SBYUSFFTVIQACT-AWEZNQCLSA-N 0 1 276.405 2.894 20 30 CFEDMN CCC[C@@H]1CCCN([C@H](C(N)=O)c2ccc(C#N)cc2)C1 ZINC000120971218 376733458 /nfs/dbraw/zinc/73/34/58/376733458.db2.gz BWTWPYWUKSCULO-ZBFHGGJFSA-N 0 1 285.391 2.597 20 30 CFEDMN COc1cc(C#N)ccc1CN1CCSC(C)(C)C1 ZINC000121176277 376774493 /nfs/dbraw/zinc/77/44/93/376774493.db2.gz OXSTVSRXPAEOHH-UHFFFAOYSA-N 0 1 276.405 2.894 20 30 CFEDMN COc1cc(C#N)ccc1CN(C)CCc1nccs1 ZINC000121580536 376860976 /nfs/dbraw/zinc/86/09/76/376860976.db2.gz PAIBLYUBJXSJQX-UHFFFAOYSA-N 0 1 287.388 2.698 20 30 CFEDMN N#CCc1ccc(NC(=O)c2ccc(F)cc2O)cc1 ZINC000123335300 376952195 /nfs/dbraw/zinc/95/21/95/376952195.db2.gz DZQVAMUMZLUPKE-UHFFFAOYSA-N 0 1 270.263 2.850 20 30 CFEDMN C[C@@]1(O)CCCN(CC#Cc2cccc(Cl)c2)C1 ZINC000124476229 377054365 /nfs/dbraw/zinc/05/43/65/377054365.db2.gz XUYWAPNUJDQINZ-OAHLLOKOSA-N 0 1 263.768 2.538 20 30 CFEDMN C[C@@H](Cc1cnc[nH]1)C(=O)N[C@@](C)(C#N)C1CCCCC1 ZINC000571700486 383718106 /nfs/dbraw/zinc/71/81/06/383718106.db2.gz UJVMGLBGVPPSED-LRDDRELGSA-N 0 1 288.395 2.567 20 30 CFEDMN C[N@@H+](CCC1CCOCC1)Cc1ccc(C#N)s1 ZINC000129679346 377460717 /nfs/dbraw/zinc/46/07/17/377460717.db2.gz SMDMRXKKFULGHI-UHFFFAOYSA-N 0 1 264.394 2.868 20 30 CFEDMN C=CCN(CCc1ccco1)Cc1cn(C)nc1CC ZINC000679364820 542181585 /nfs/dbraw/zinc/18/15/85/542181585.db2.gz OQFIJSQRDOCFQP-UHFFFAOYSA-N 0 1 273.380 2.806 20 30 CFEDMN CC(C)C(N)=NOCc1ccccc1C(C)(C)C#N ZINC000133639900 377946307 /nfs/dbraw/zinc/94/63/07/377946307.db2.gz XEGABLBZTDZJQP-UHFFFAOYSA-N 0 1 259.353 2.933 20 30 CFEDMN C[C@H](NC(=O)[C@@H]1CCCc2[nH]ncc21)c1ccc(C#N)cc1 ZINC000134427297 378013476 /nfs/dbraw/zinc/01/34/76/378013476.db2.gz ICGOAQYEPVNQQL-SMDDNHRTSA-N 0 1 294.358 2.579 20 30 CFEDMN COc1ccc(CN2CC[C@@H](OCC(C)C)C2)cc1C#N ZINC000135149106 378091148 /nfs/dbraw/zinc/09/11/48/378091148.db2.gz RRRIGMDCFIYEON-MRXNPFEDSA-N 0 1 288.391 2.814 20 30 CFEDMN Cc1nc(NC(=O)[C@@H]2CCCCN2C2CCCC2)nn1C ZINC000329302467 378451309 /nfs/dbraw/zinc/45/13/09/378451309.db2.gz WKHCBKLMXOUJGG-ZDUSSCGKSA-N 0 1 291.399 2.509 20 30 CFEDMN C[C@H]1CN(C(=O)OC(C)(C)C)CCN1CCCCC#N ZINC000152889475 378456097 /nfs/dbraw/zinc/45/60/97/378456097.db2.gz PRJALFWBIJFOEW-ZDUSSCGKSA-N 0 1 281.400 2.621 20 30 CFEDMN Cc1cc([C@@H]2CCCN(C(=O)N[C@@H]3CC[C@@H](F)C3)C2)n[nH]1 ZINC000329349922 378456915 /nfs/dbraw/zinc/45/69/15/378456915.db2.gz DXNZZTDIQCMWLK-JHJVBQTASA-N 0 1 294.374 2.702 20 30 CFEDMN CC1(C)C[C@@H]1CNC(=O)N1CC[C@H](n2cc(Cl)cn2)C1 ZINC000329616877 378470546 /nfs/dbraw/zinc/47/05/46/378470546.db2.gz PZQDVHLPQXCJIW-PWSUYJOCSA-N 0 1 296.802 2.743 20 30 CFEDMN CC1=CCN(CCNC(=O)c2cc(C3CC3)on2)CC1 ZINC000328769035 378422282 /nfs/dbraw/zinc/42/22/82/378422282.db2.gz IIIRQMLPPVQTTG-UHFFFAOYSA-N 0 1 275.352 2.509 20 30 CFEDMN CC(C)C[N@H+]1CCC[C@@H]1CNC(=O)c1conc1C1CC1 ZINC000328777590 378424185 /nfs/dbraw/zinc/42/41/85/378424185.db2.gz LLZRZVSUGXHDCW-CYBMUJFWSA-N 0 1 291.395 2.977 20 30 CFEDMN C[C@H](C[C@H]1CCCO1)NC(=O)c1ccc2cncn2c1 ZINC000328793592 378426191 /nfs/dbraw/zinc/42/61/91/378426191.db2.gz AZSQZBZRTVSNRE-BXUZGUMPSA-N 0 1 273.336 2.597 20 30 CFEDMN Cc1cnn(CC[NH+]=C([O-])N2CC=C(C(C)(C)C)CC2)c1 ZINC000328887470 378436004 /nfs/dbraw/zinc/43/60/04/378436004.db2.gz ORIXGZRQFNZCMU-UHFFFAOYSA-N 0 1 290.411 2.784 20 30 CFEDMN Cc1nc(C(C)C)oc1C(=O)N[C@@H]1CCc2nc[nH]c2C1 ZINC000328921253 378440632 /nfs/dbraw/zinc/44/06/32/378440632.db2.gz MCEPDBHWARDPKS-SNVBAGLBSA-N 0 1 288.351 2.692 20 30 CFEDMN C[C@@H]1CC[C@H](C)N1C(=O)N[C@H]1CCCc2cn[nH]c21 ZINC000330139374 378524927 /nfs/dbraw/zinc/52/49/27/378524927.db2.gz OVABVOFFHKJWMR-UMNHJUIQSA-N 0 1 262.357 2.574 20 30 CFEDMN COC1CCC(CNC(=O)[C@H]2CCCc3[nH]ncc32)CC1 ZINC000329811211 378499922 /nfs/dbraw/zinc/49/99/22/378499922.db2.gz BTWKVUKDFUSUBT-BPCQOVAHSA-N 0 1 291.395 2.991 20 30 CFEDMN C[C@@H]1CCN(C([O-])=[NH+]C[C@@H]2CC2(C)C)C[C@@H]1n1ccnc1 ZINC000329936978 378515593 /nfs/dbraw/zinc/51/55/93/378515593.db2.gz DKRYXPOPIXVZKY-RDBSUJKOSA-N 0 1 290.411 2.726 20 30 CFEDMN CC[C@@H]1CCCCN1C([O-])=[NH+]C[C@@H](C)Cn1cccn1 ZINC000330471513 378564091 /nfs/dbraw/zinc/56/40/91/378564091.db2.gz NZNVRDLWQWKQPZ-ZIAGYGMSSA-N 0 1 278.400 2.698 20 30 CFEDMN C=C(C)CN(CC)[C@H](C)C(=O)NCc1ccc(C)cc1 ZINC000155140624 378613508 /nfs/dbraw/zinc/61/35/08/378613508.db2.gz NVJJSVVZECMLOP-OAHLLOKOSA-N 0 1 274.408 2.898 20 30 CFEDMN Cc1cc(C[C@@H](C)NC(=O)Nc2ccc(CC#N)cc2)n[nH]1 ZINC000158065082 378662830 /nfs/dbraw/zinc/66/28/30/378662830.db2.gz IZVBKLVXABFHHA-LLVKDONJSA-N 0 1 297.362 2.537 20 30 CFEDMN C=CCN(CC=C)Cc1cccc(OCCOC)c1 ZINC000158122161 378664006 /nfs/dbraw/zinc/66/40/06/378664006.db2.gz DQSPVINKHUGSTK-UHFFFAOYSA-N 0 1 261.365 2.886 20 30 CFEDMN C[C@@H](O)[C@@H]1C[C@H](C)CCN1Cc1cn2ccccc2c1C#N ZINC000332239699 378739664 /nfs/dbraw/zinc/73/96/64/378739664.db2.gz OZWVESNXWCRGMM-LBTNJELSSA-N 0 1 297.402 2.792 20 30 CFEDMN C[C@H](O)[C@@H]1C[C@H](C)CCN1Cc1cn2ccccc2c1C#N ZINC000332239693 378740312 /nfs/dbraw/zinc/74/03/12/378740312.db2.gz OZWVESNXWCRGMM-GLJUWKHASA-N 0 1 297.402 2.792 20 30 CFEDMN CC#CCN1CCC[C@@H]1c1cccc2c1OCCO2 ZINC000160398831 378768877 /nfs/dbraw/zinc/76/88/77/378768877.db2.gz HQXHUASMTFPQML-CQSZACIVSA-N 0 1 257.333 2.618 20 30 CFEDMN Cc1cc(C#N)ccc1C(=O)N1CCN(C2CCCC2)CC1 ZINC000160980387 378813290 /nfs/dbraw/zinc/81/32/90/378813290.db2.gz VSXWKLXCBWKVIZ-UHFFFAOYSA-N 0 1 297.402 2.567 20 30 CFEDMN CC1(C)[C@H](O)CCN1Cc1ccc(C#N)cc1Cl ZINC000335312412 379063882 /nfs/dbraw/zinc/06/38/82/379063882.db2.gz WJOZEEJGJZWRHY-CYBMUJFWSA-N 0 1 264.756 2.557 20 30 CFEDMN N#Cc1ccc(C2=CCN(Cc3cnc[nH]3)CC2)cc1 ZINC000335366348 379169607 /nfs/dbraw/zinc/16/96/07/379169607.db2.gz ZCTZXHCRFMKMGV-UHFFFAOYSA-N 0 1 264.332 2.571 20 30 CFEDMN C=CC(C)(C)C(=O)N1CCC(c2cc(C)[nH]n2)CC1 ZINC000335373358 379183046 /nfs/dbraw/zinc/18/30/46/379183046.db2.gz JGECCMISWCVCQR-UHFFFAOYSA-N 0 1 261.369 2.636 20 30 CFEDMN C=CCN1CCC(Nc2nc(Cl)c(C#N)s2)CC1 ZINC000278809424 194163074 /nfs/dbraw/zinc/16/30/74/194163074.db2.gz ZELPXYMVLWTXNF-UHFFFAOYSA-N 0 1 282.800 2.730 20 30 CFEDMN CCN(CC)[C@H](C(=O)N1CCC(C#N)CC1)c1ccccc1 ZINC000171680254 379367937 /nfs/dbraw/zinc/36/79/37/379367937.db2.gz YBDYBKIHMVFEKA-KRWDZBQOSA-N 0 1 299.418 2.832 20 30 CFEDMN C[C@H]1C[N@@H+](CCC2(C#N)CCCCC2)CC[C@H]1O ZINC000334542024 379491914 /nfs/dbraw/zinc/49/19/14/379491914.db2.gz SRJSJEZHELTIJW-UONOGXRCSA-N 0 1 250.386 2.553 20 30 CFEDMN N#Cc1ccccc1CN1CCC[C@@H](N2CCCC2=O)CC1 ZINC000334635909 379675020 /nfs/dbraw/zinc/67/50/20/379675020.db2.gz HRICIYDBEPSADI-QGZVFWFLSA-N 0 1 297.402 2.535 20 30 CFEDMN CC1(C)COC[C@@H]1NCc1ccc(Cl)cc1C#N ZINC000334664748 379733140 /nfs/dbraw/zinc/73/31/40/379733140.db2.gz AFYXCEXOYHWACO-ZDUSSCGKSA-N 0 1 264.756 2.726 20 30 CFEDMN C[N@@H+](CC(=O)Nc1cc(Cl)ccc1C#N)C1CCC1 ZINC000173612797 379758861 /nfs/dbraw/zinc/75/88/61/379758861.db2.gz OTSNEXZBEJFNNQ-UHFFFAOYSA-N 0 1 277.755 2.634 20 30 CFEDMN CN(CC(=O)Nc1cc(Cl)ccc1C#N)C1CCC1 ZINC000173612797 379758868 /nfs/dbraw/zinc/75/88/68/379758868.db2.gz OTSNEXZBEJFNNQ-UHFFFAOYSA-N 0 1 277.755 2.634 20 30 CFEDMN C[C@@H]1CC[C@@H]([N@@H+](C)Cc2cnc3ccc(C#N)cn23)C1 ZINC000335715751 379773735 /nfs/dbraw/zinc/77/37/35/379773735.db2.gz SBKPJUTTXNEBNQ-TZMCWYRMSA-N 0 1 268.364 2.826 20 30 CFEDMN CO[C@@H](CNCc1ccc(C#N)o1)c1ccccc1 ZINC000174297532 379859964 /nfs/dbraw/zinc/85/99/64/379859964.db2.gz CXYOYNOYXLJMLN-HNNXBMFYSA-N 0 1 256.305 2.629 20 30 CFEDMN C[C@H](CNCc1ccc(C#N)o1)[N@@H+](C)Cc1ccccc1 ZINC000174375821 379872952 /nfs/dbraw/zinc/87/29/52/379872952.db2.gz ZUMHOJZWNMNIEL-CQSZACIVSA-N 0 1 283.375 2.761 20 30 CFEDMN C=CCCCC(=O)NC[C@@H](c1cccs1)N(C)C ZINC000175101760 379995476 /nfs/dbraw/zinc/99/54/76/379995476.db2.gz OQCOHYRDHCEVFQ-LBPRGKRZSA-N 0 1 266.410 2.823 20 30 CFEDMN N#Cc1cccc(CN2CCOC[C@H](C3CCC3)C2)c1F ZINC000335890248 380058297 /nfs/dbraw/zinc/05/82/97/380058297.db2.gz RQWVVSWTGCXTNW-MRXNPFEDSA-N 0 1 288.366 2.946 20 30 CFEDMN N#Cc1cccc(NC(=O)c2c(F)ccc(O)c2F)c1 ZINC000335942334 380135531 /nfs/dbraw/zinc/13/55/31/380135531.db2.gz ZZSLKWSCKRVAHA-UHFFFAOYSA-N 0 1 274.226 2.794 20 30 CFEDMN COc1ccc(CCN(CCC#N)CC2CC2)cc1 ZINC000176253675 380203326 /nfs/dbraw/zinc/20/33/26/380203326.db2.gz NOYUNWDXPDEOGB-UHFFFAOYSA-N 0 1 258.365 2.863 20 30 CFEDMN N#C[C@@H](NC(=O)Cc1[nH]nc2ccccc21)C1CCCCC1 ZINC000176642621 380258878 /nfs/dbraw/zinc/25/88/78/380258878.db2.gz SYDAIKYPSWQITE-MRXNPFEDSA-N 0 1 296.374 2.694 20 30 CFEDMN C[C@@H]1CSCCN(Cc2cccc(C#N)c2F)C1 ZINC000336096031 380267067 /nfs/dbraw/zinc/26/70/67/380267067.db2.gz ZUWVIYUAPRGVKF-NSHDSACASA-N 0 1 264.369 2.882 20 30 CFEDMN Cc1cc(C(=O)N2CC=C(c3ccc(C#N)cc3)CC2)n[nH]1 ZINC000336511471 380388736 /nfs/dbraw/zinc/38/87/36/380388736.db2.gz YUDAINGVJUSOEP-UHFFFAOYSA-N 0 1 292.342 2.519 20 30 CFEDMN COCC(C)(C)N(C)Cc1cccc(C#N)c1F ZINC000336796135 380644629 /nfs/dbraw/zinc/64/46/29/380644629.db2.gz PVLHRKBZGJYHLQ-UHFFFAOYSA-N 0 1 250.317 2.554 20 30 CFEDMN C[C@@H](NCCCCC#N)c1ncc(Br)cn1 ZINC000336682497 380590107 /nfs/dbraw/zinc/59/01/07/380590107.db2.gz PRTNNMFHWSBPGQ-SECBINFHSA-N 0 1 283.173 2.584 20 30 CFEDMN C=C[C@@H]1CCCCN1C(=O)c1cc(C(F)F)[nH]n1 ZINC000640231856 383749228 /nfs/dbraw/zinc/74/92/28/383749228.db2.gz KZUSLXBHTDNYBV-MRVPVSSYSA-N 0 1 255.268 2.528 20 30 CFEDMN C=CC[N@H+](CCCCC(=O)[O-])Cc1cccc([N+](=O)[O-])c1 ZINC000181550977 380823648 /nfs/dbraw/zinc/82/36/48/380823648.db2.gz YYCKOWICZWCNCR-UHFFFAOYSA-N 0 1 292.335 2.838 20 30 CFEDMN C=CCCCCCCNC(=O)NCc1cn[nH]c1C ZINC000287548643 380863437 /nfs/dbraw/zinc/86/34/37/380863437.db2.gz LSPUTUODNHMGAF-UHFFFAOYSA-N 0 1 264.373 2.654 20 30 CFEDMN C=CCN(CC=C)C(=O)[C@H](C)N[C@H](C)c1cccc(O)c1 ZINC000181564912 380829478 /nfs/dbraw/zinc/82/94/78/380829478.db2.gz HBBOLGPTBRPYRV-KGLIPLIRSA-N 0 1 288.391 2.632 20 30 CFEDMN CC1(C)C[C@@H](O)CCN(Cc2cn3ccccc3c2C#N)C1 ZINC000295445138 380859915 /nfs/dbraw/zinc/85/99/15/380859915.db2.gz KFGUXGBCPJQDEH-HNNXBMFYSA-N 0 1 297.402 2.794 20 30 CFEDMN C=C(CC)CN1CCN([C@H](C)c2cccnc2)CC1 ZINC000358510942 380895628 /nfs/dbraw/zinc/89/56/28/380895628.db2.gz QJISSQIBBTUAHB-OAHLLOKOSA-N 0 1 259.397 2.726 20 30 CFEDMN CCN1C[C@H](C)N(Cc2cc(C#N)cs2)C[C@H]1C ZINC000353860354 380910213 /nfs/dbraw/zinc/91/02/13/380910213.db2.gz DRWCMCLTMWYFAL-NEPJUHHUSA-N 0 1 263.410 2.534 20 30 CFEDMN N#CCCC[C@H](NCc1ncc[nH]1)c1ccccc1 ZINC000353915885 380953255 /nfs/dbraw/zinc/95/32/55/380953255.db2.gz NXOFLLQPGWFOPA-AWEZNQCLSA-N 0 1 254.337 2.934 20 30 CFEDMN C=CCCCNC(=O)N[C@@H](C)c1n[nH]c([C@H](C)CC)n1 ZINC000279280249 194366590 /nfs/dbraw/zinc/36/65/90/194366590.db2.gz LJWBBBSUFVVGJK-MNOVXSKESA-N 0 1 279.388 2.645 20 30 CFEDMN C=CCN(CCc1ccccc1)[C@H](C)c1n[nH]c(C)n1 ZINC000411190029 381016689 /nfs/dbraw/zinc/01/66/89/381016689.db2.gz HCKQRNWZJRSICZ-CYBMUJFWSA-N 0 1 270.380 2.905 20 30 CFEDMN COc1cc(C#N)ccc1CN1CCC[C@@H]2COCC[C@@H]21 ZINC000347250415 381028680 /nfs/dbraw/zinc/02/86/80/381028680.db2.gz NVOZRMGXIQVCDX-CVEARBPZSA-N 0 1 286.375 2.568 20 30 CFEDMN CCC[C@@H](C#N)N(C)C(=O)[C@@H](C)N(C)Cc1ccccc1 ZINC000410829609 380993043 /nfs/dbraw/zinc/99/30/43/380993043.db2.gz RHZBCOPQYPWHEA-ZBFHGGJFSA-N 0 1 287.407 2.658 20 30 CFEDMN Cc1nn(-c2ccncc2)cc1CN(C)CC(C)(C)C#N ZINC000354043386 381042143 /nfs/dbraw/zinc/04/21/43/381042143.db2.gz XNMQEYUGOPDYLG-UHFFFAOYSA-N 0 1 283.379 2.557 20 30 CFEDMN C=C[C@H](CO)N[C@@H](C)c1ccc(Br)cc1F ZINC000289655335 381088450 /nfs/dbraw/zinc/08/84/50/381088450.db2.gz GLWQEUFUXBZTBH-WCBMZHEXSA-N 0 1 288.160 2.786 20 30 CFEDMN N#Cc1ccc2ncc(CN3CCC(C4CC4)CC3)n2c1 ZINC000368633212 381089541 /nfs/dbraw/zinc/08/95/41/381089541.db2.gz AFTWPQOCHRBPBR-UHFFFAOYSA-N 0 1 280.375 2.828 20 30 CFEDMN C=C[C@H](CO)NCc1ccc(Cl)c(C(F)(F)F)c1 ZINC000289792174 381159854 /nfs/dbraw/zinc/15/98/54/381159854.db2.gz KEVHOEHZYAPLIO-SECBINFHSA-N 0 1 279.689 2.995 20 30 CFEDMN C#Cc1ccc(CN2CCC[C@@H]([C@@H](O)C(F)(F)F)C2)cc1 ZINC000289801861 381165706 /nfs/dbraw/zinc/16/57/06/381165706.db2.gz SKDIPHDECUCPRZ-HUUCEWRRSA-N 0 1 297.320 2.803 20 30 CFEDMN CC[C@@H](C)N1CCN(c2nc(Cl)c(C#N)s2)CC1 ZINC000295932343 381166419 /nfs/dbraw/zinc/16/64/19/381166419.db2.gz HGZPQPNLLVZVNC-SECBINFHSA-N 0 1 284.816 2.589 20 30 CFEDMN C=CCOc1ccc(CNCc2n[nH]cc2C)cc1 ZINC000289733364 381125942 /nfs/dbraw/zinc/12/59/42/381125942.db2.gz GJDSVNGXQBJLMB-UHFFFAOYSA-N 0 1 257.337 2.573 20 30 CFEDMN CCOC(=O)C[C@@H](C)N(C)CC#Cc1ccc(Cl)cc1 ZINC000182664260 381132612 /nfs/dbraw/zinc/13/26/12/381132612.db2.gz DWNARVHRXLVBRK-CYBMUJFWSA-N 0 1 293.794 2.965 20 30 CFEDMN C=C[C@@H](CO)N[C@H](C)c1cnn(-c2ccc(F)cc2)c1C ZINC000289832542 381180045 /nfs/dbraw/zinc/18/00/45/381180045.db2.gz PLECJPKBKPMDSZ-RISCZKNCSA-N 0 1 289.354 2.517 20 30 CFEDMN Cc1cc([N+](=O)[O-])ccc1CN1CCC(C#N)CC1 ZINC000183309695 381252317 /nfs/dbraw/zinc/25/23/17/381252317.db2.gz KNBMJUCWCJMPMA-UHFFFAOYSA-N 0 1 259.309 2.639 20 30 CFEDMN C=CCCCN1CCN(CC(F)(F)F)CC1(C)C ZINC000342294906 381256192 /nfs/dbraw/zinc/25/61/92/381256192.db2.gz ODTDOLUMIMZZBG-UHFFFAOYSA-N 0 1 264.335 2.911 20 30 CFEDMN C=CC[C@H](C)NC(=O)[C@H](CC)N(C)Cc1ccccc1 ZINC000354402921 381246545 /nfs/dbraw/zinc/24/65/45/381246545.db2.gz YECBSNGBLSMAPH-HOCLYGCPSA-N 0 1 274.408 2.978 20 30 CFEDMN COc1cc([C@@H](C)NCc2cc(C#N)cs2)ccn1 ZINC000342288126 381249860 /nfs/dbraw/zinc/24/98/60/381249860.db2.gz LNQMGFRTZGGHCI-SNVBAGLBSA-N 0 1 273.361 2.874 20 30 CFEDMN C#CCNC(=O)[C@H](C)N[C@@H](C)c1oc2ccccc2c1C ZINC000183570781 381289502 /nfs/dbraw/zinc/28/95/02/381289502.db2.gz RNNLHBFEDQGYLI-STQMWFEESA-N 0 1 284.359 2.530 20 30 CFEDMN COc1cc(Cl)ccc1C(=O)[C@H](C#N)c1ccncn1 ZINC000354454786 381279220 /nfs/dbraw/zinc/27/92/20/381279220.db2.gz AHNMVOJGSDAJNS-LLVKDONJSA-N 0 1 287.706 2.629 20 30 CFEDMN COc1cc(Cl)ccc1C(=O)C(C#N)c1ccncn1 ZINC000354454786 381279225 /nfs/dbraw/zinc/27/92/25/381279225.db2.gz AHNMVOJGSDAJNS-LLVKDONJSA-N 0 1 287.706 2.629 20 30 CFEDMN COc1cc(Cl)ccc1C(=O)[C@@H](C#N)c1ccncn1 ZINC000354454787 381280986 /nfs/dbraw/zinc/28/09/86/381280986.db2.gz AHNMVOJGSDAJNS-NSHDSACASA-N 0 1 287.706 2.629 20 30 CFEDMN COc1cc(Cl)ccc1C(=O)C(C#N)c1ccncn1 ZINC000354454787 381280992 /nfs/dbraw/zinc/28/09/92/381280992.db2.gz AHNMVOJGSDAJNS-NSHDSACASA-N 0 1 287.706 2.629 20 30 CFEDMN C#Cc1ccc(CNCC(=O)N(C)C2CCCCC2)cc1 ZINC000290238961 381353454 /nfs/dbraw/zinc/35/34/54/381353454.db2.gz GMQGBJFWEAVTIH-UHFFFAOYSA-N 0 1 284.403 2.549 20 30 CFEDMN CC#CCN[C@H](CC(=O)OC(C)C)c1ccc(C)cc1 ZINC000342504596 381363883 /nfs/dbraw/zinc/36/38/83/381363883.db2.gz FPQXJDRINXIWIS-MRXNPFEDSA-N 0 1 273.376 2.991 20 30 CFEDMN CC#CCN[C@@H](CC(=O)OC(C)C)c1ccc(C)cc1 ZINC000342504575 381364775 /nfs/dbraw/zinc/36/47/75/381364775.db2.gz FPQXJDRINXIWIS-INIZCTEOSA-N 0 1 273.376 2.991 20 30 CFEDMN CN(C)c1ccccc1CNCc1cc(C#N)cs1 ZINC000347839363 381373496 /nfs/dbraw/zinc/37/34/96/381373496.db2.gz YFWYGEORDYIQGZ-UHFFFAOYSA-N 0 1 271.389 2.976 20 30 CFEDMN C=CCN(Cc1[nH]ncc1C)Cc1ccc(OC)cc1 ZINC000290359902 381397858 /nfs/dbraw/zinc/39/78/58/381397858.db2.gz GNJVRZFNUGBAMM-UHFFFAOYSA-N 0 1 271.364 2.915 20 30 CFEDMN CC[N@@H+](Cc1cc(C#N)n(C)c1)[C@@H](C)c1cccnc1 ZINC000290434500 381427049 /nfs/dbraw/zinc/42/70/49/381427049.db2.gz LLZRCERZOBIZJU-ZDUSSCGKSA-N 0 1 268.364 2.875 20 30 CFEDMN CCN(Cc1cc(C#N)n(C)c1)[C@@H](C)c1cccnc1 ZINC000290434500 381427056 /nfs/dbraw/zinc/42/70/56/381427056.db2.gz LLZRCERZOBIZJU-ZDUSSCGKSA-N 0 1 268.364 2.875 20 30 CFEDMN N#Cc1ccccc1C=CC(=O)Nc1nc(C2CCC2)n[nH]1 ZINC000184589744 381442928 /nfs/dbraw/zinc/44/29/28/381442928.db2.gz YEWYHBZXFASIBD-CMDGGOBGSA-N 0 1 293.330 2.596 20 30 CFEDMN N#Cc1ccccc1C=CC(=O)Nc1n[nH]c(C2CCC2)n1 ZINC000184589744 381442934 /nfs/dbraw/zinc/44/29/34/381442934.db2.gz YEWYHBZXFASIBD-CMDGGOBGSA-N 0 1 293.330 2.596 20 30 CFEDMN C[C@@H]1CC[C@]2(CCN([C@H](C(N)=O)c3ccc(C#N)cc3)C2)C1 ZINC000359564202 381473593 /nfs/dbraw/zinc/47/35/93/381473593.db2.gz TYPQLJJOBOZAJH-SKDZVZGDSA-N 0 1 297.402 2.597 20 30 CFEDMN C=CCC[C@@H](O)CN[C@H](C)c1csc(CC)n1 ZINC000184746881 381474171 /nfs/dbraw/zinc/47/41/71/381474171.db2.gz APWLSGOXMDOECG-GHMZBOCLSA-N 0 1 254.399 2.683 20 30 CFEDMN C=CCOCCCN(C)Cc1nc2ccccc2o1 ZINC000348039223 381454175 /nfs/dbraw/zinc/45/41/75/381454175.db2.gz CKSIXMUUWWMNJW-UHFFFAOYSA-N 0 1 260.337 2.852 20 30 CFEDMN C=CCOCCCN1CCN(C(=O)C(C)(C)C)CC1(C)C ZINC000348033563 381454830 /nfs/dbraw/zinc/45/48/30/381454830.db2.gz MYOYFDDCALSJGA-UHFFFAOYSA-N 0 1 296.455 2.548 20 30 CFEDMN C=CCOCCCN[C@H](C)c1cn(-c2ccccc2)nn1 ZINC000348046077 381456328 /nfs/dbraw/zinc/45/63/28/381456328.db2.gz DGNYTEBDDSCPLC-CQSZACIVSA-N 0 1 286.379 2.511 20 30 CFEDMN C=C(Br)CN(C)[C@@H]1[C@H]2CCO[C@H]2C1(C)C ZINC000370865588 381509302 /nfs/dbraw/zinc/50/93/02/381509302.db2.gz WCCNUKSJGUIWFE-GMTAPVOTSA-N 0 1 274.202 2.640 20 30 CFEDMN C=CCCN(C)Cc1ccc(C(=O)OC)cc1F ZINC000342741337 381511573 /nfs/dbraw/zinc/51/15/73/381511573.db2.gz UKESMYKXRUEERK-UHFFFAOYSA-N 0 1 251.301 2.620 20 30 CFEDMN CC(C)(C)N1CC[C@@](F)(C(=O)Oc2ccc(C#N)cc2)C1 ZINC000290619854 381501959 /nfs/dbraw/zinc/50/19/59/381501959.db2.gz WZEMACJFQKDJGM-INIZCTEOSA-N 0 1 290.338 2.676 20 30 CFEDMN Cc1csc(C(C#N)C(=O)c2cnn3ccccc23)n1 ZINC000342760406 381521348 /nfs/dbraw/zinc/52/13/48/381521348.db2.gz ZPDBSMGMGSRMHB-JTQLQIEISA-N 0 1 282.328 2.589 20 30 CFEDMN C=CCCN(C)CC(=O)NCc1cccc(OC(C)C)c1 ZINC000342761493 381523400 /nfs/dbraw/zinc/52/34/00/381523400.db2.gz FXXXCUFGGHGEKY-UHFFFAOYSA-N 0 1 290.407 2.598 20 30 CFEDMN C=CCCN(C)CC(=O)NCCCSc1ccccc1 ZINC000342765700 381524930 /nfs/dbraw/zinc/52/49/30/381524930.db2.gz QDFAKTVKGQKVKX-UHFFFAOYSA-N 0 1 292.448 2.793 20 30 CFEDMN C=CCC(CC=C)C(=O)N1CCCC[C@@H]1c1n[nH]c(C)n1 ZINC000370964889 381526088 /nfs/dbraw/zinc/52/60/88/381526088.db2.gz HZRGPMGLCCIVCG-CQSZACIVSA-N 0 1 288.395 2.935 20 30 CFEDMN CC(C)(C#N)CNC(=O)[C@H]1CCCCN1Cc1ccccc1 ZINC000359644913 381530592 /nfs/dbraw/zinc/53/05/92/381530592.db2.gz FWYQAQASKFJBCN-MRXNPFEDSA-N 0 1 299.418 2.707 20 30 CFEDMN CC(C)[C@@H]1N(C[C@@H](C#N)CCC#N)CC12CCOCC2 ZINC000414184459 381569364 /nfs/dbraw/zinc/56/93/64/381569364.db2.gz NWLVPUQPXPRLEA-CABCVRRESA-N 0 1 275.396 2.567 20 30 CFEDMN C=CCN(CCc1ccco1)Cc1ccc(C)nn1 ZINC000414435023 381587365 /nfs/dbraw/zinc/58/73/65/381587365.db2.gz RAUDAYXVKVYTBL-UHFFFAOYSA-N 0 1 257.337 2.609 20 30 CFEDMN CN(Cc1ccc(C#N)cc1OC(F)F)C[C@H]1CCCO1 ZINC000355068609 381594669 /nfs/dbraw/zinc/59/46/69/381594669.db2.gz YJMKAFDOEHNKPI-CYBMUJFWSA-N 0 1 296.317 2.770 20 30 CFEDMN C=CCNC(=O)[C@H](C)N[C@@H](C)c1ccccc1OC(F)F ZINC000298489024 381648334 /nfs/dbraw/zinc/64/83/34/381648334.db2.gz IFIHNCRWDCUJDW-QWRGUYRKSA-N 0 1 298.333 2.629 20 30 CFEDMN CC(C)(C)OC(=O)N1CCC(N(CCC#N)C2CC2)CC1 ZINC000371563869 381658941 /nfs/dbraw/zinc/65/89/41/381658941.db2.gz AEZOVMYCQYRROV-UHFFFAOYSA-N 0 1 293.411 2.764 20 30 CFEDMN N#CC1(CN2CC[C@H](Cc3ccc(F)cc3)C2)CC1 ZINC000343323012 381674132 /nfs/dbraw/zinc/67/41/32/381674132.db2.gz TUTGRGHJJYMVEG-CQSZACIVSA-N 0 1 258.340 2.994 20 30 CFEDMN C#CCONC(=O)[C@@H](C)c1cccc(CC(C)C)c1 ZINC000291299470 381740842 /nfs/dbraw/zinc/74/08/42/381740842.db2.gz QLUZGKIWAFLLDU-ZDUSSCGKSA-N 0 1 259.349 2.670 20 30 CFEDMN COC[C@H]1CCCCN(Cc2cc(F)ccc2C#N)C1 ZINC000372090126 381750928 /nfs/dbraw/zinc/75/09/28/381750928.db2.gz ZHFFYPYZFAWEFE-ZDUSSCGKSA-N 0 1 276.355 2.946 20 30 CFEDMN CC#CCCCC(=O)N[C@H]1C[C@H](C)[N@@H+](Cc2ccccc2)C1 ZINC000185838289 381751045 /nfs/dbraw/zinc/75/10/45/381751045.db2.gz SHEXYVHTYHWLCX-WMZOPIPTSA-N 0 1 298.430 2.959 20 30 CFEDMN C#CCONC(=O)[C@@H](c1cccc(Cl)c1)C(C)C ZINC000291342443 381753436 /nfs/dbraw/zinc/75/34/36/381753436.db2.gz WBYLCJPFXUILRY-CYBMUJFWSA-N 0 1 265.740 2.761 20 30 CFEDMN C=C(CC)C[N@@H+](C)Cc1nc(=O)c2sccc2[n-]1 ZINC000343540591 381784828 /nfs/dbraw/zinc/78/48/28/381784828.db2.gz BQXZNLMCGUKHTK-UHFFFAOYSA-N 0 1 263.366 2.795 20 30 CFEDMN N#CCCN(CCCOc1ccccc1)C1CCOCC1 ZINC000355732248 381798533 /nfs/dbraw/zinc/79/85/33/381798533.db2.gz IQHUJQHZTWMGCC-UHFFFAOYSA-N 0 1 288.391 2.850 20 30 CFEDMN C=CC1CCN(Cc2cc3c(cc2OC)OCO3)CC1 ZINC000355350532 381763327 /nfs/dbraw/zinc/76/33/27/381763327.db2.gz BLRIXSCKTZQXPV-UHFFFAOYSA-N 0 1 275.348 2.822 20 30 CFEDMN COC1(CN(CCC#N)CC2CC2)CCCCC1 ZINC000361567735 381844696 /nfs/dbraw/zinc/84/46/96/381844696.db2.gz VHDWUHHGQZTOSP-UHFFFAOYSA-N 0 1 250.386 2.961 20 30 CFEDMN COc1cc(CNCc2ccc(C#N)s2)cc(OC)c1 ZINC000343566883 381804068 /nfs/dbraw/zinc/80/40/68/381804068.db2.gz LDDJGZNQEHVXCC-UHFFFAOYSA-N 0 1 288.372 2.927 20 30 CFEDMN C[C@@H]1CN(CC2(C#N)CC2)[C@@H](C)CN1Cc1ccccc1 ZINC000343576084 381809709 /nfs/dbraw/zinc/80/97/09/381809709.db2.gz BAFSZODBTLEGPK-CVEARBPZSA-N 0 1 283.419 2.885 20 30 CFEDMN Cc1ccc2nc(SCCOCCC#N)[nH]c2c1 ZINC000292745770 381819524 /nfs/dbraw/zinc/81/95/24/381819524.db2.gz RCOPHYXPEDADKZ-UHFFFAOYSA-N 0 1 261.350 2.894 20 30 CFEDMN C#CCCCC(=O)Nc1[nH]nc(-c2ccncc2)c1C ZINC000372895357 381887131 /nfs/dbraw/zinc/88/71/31/381887131.db2.gz LXGMOMTVUYRLFH-UHFFFAOYSA-N 0 1 268.320 2.522 20 30 CFEDMN C[C@@H](NCCCOc1cccc(C#N)c1)c1ccon1 ZINC000349236612 381856652 /nfs/dbraw/zinc/85/66/52/381856652.db2.gz DQHPZXGHOFKUDT-GFCCVEGCSA-N 0 1 271.320 2.666 20 30 CFEDMN CC(C)CCN(CCC#N)C(=O)c1cnc(C2CC2)[nH]1 ZINC000343645281 381866323 /nfs/dbraw/zinc/86/63/23/381866323.db2.gz JTWFNSUOSAYFPM-UHFFFAOYSA-N 0 1 274.368 2.689 20 30 CFEDMN CC(C)(C)CN(CCC#N)C(=O)c1cnc(C2CC2)[nH]1 ZINC000343652504 381870276 /nfs/dbraw/zinc/87/02/76/381870276.db2.gz SIVOUGQUDGYLQR-UHFFFAOYSA-N 0 1 274.368 2.689 20 30 CFEDMN Cc1ccc2nc(CNC(=O)c3ccc(C#N)s3)[nH]c2c1 ZINC000356937706 381915519 /nfs/dbraw/zinc/91/55/19/381915519.db2.gz RBBRZZMNBBAWFA-UHFFFAOYSA-N 0 1 296.355 2.735 20 30 CFEDMN Cc1oc(NC(=O)CN(C)[C@@H](C)C2CCC2)c(C#N)c1C ZINC000357018686 381966983 /nfs/dbraw/zinc/96/69/83/381966983.db2.gz AVVIVUPWTLIZAA-NSHDSACASA-N 0 1 289.379 2.827 20 30 CFEDMN CC(C)(C#N)Cc1nc(-c2ccc3[nH]cnc3c2)no1 ZINC000350078373 382003649 /nfs/dbraw/zinc/00/36/49/382003649.db2.gz VVZPFLQMQBSSDD-UHFFFAOYSA-N 0 1 267.292 2.705 20 30 CFEDMN CCOC(=O)CC(C)(C)N(C)Cc1cc(F)ccc1C#N ZINC000343889523 382007396 /nfs/dbraw/zinc/00/73/96/382007396.db2.gz RPBUOJMAJPQPEU-UHFFFAOYSA-N 0 1 292.354 2.861 20 30 CFEDMN C=CCN(C(=O)C(F)F)[C@H]1CCN(Cc2ccccc2)C1 ZINC000373316111 381978568 /nfs/dbraw/zinc/97/85/68/381978568.db2.gz FKQIPKVYVVBSPG-AWEZNQCLSA-N 0 1 294.345 2.541 20 30 CFEDMN CCN1C[C@@H](C)N(C(=O)[C@@H](C)c2cccc(C#N)c2)[C@@H](C)C1 ZINC000362277781 381987269 /nfs/dbraw/zinc/98/72/69/381987269.db2.gz HUGIDGYQJJEMRI-ZNMIVQPWSA-N 0 1 299.418 2.603 20 30 CFEDMN C=C(C)CCN(C)Cc1nc(-c2cccnc2)no1 ZINC000351718000 382057220 /nfs/dbraw/zinc/05/72/20/382057220.db2.gz HLRKABHFHPAMPO-UHFFFAOYSA-N 0 1 258.325 2.530 20 30 CFEDMN C=C(C)CCN1CCN(C(=O)Cc2ccccc2C)CC1 ZINC000351862586 382067300 /nfs/dbraw/zinc/06/73/00/382067300.db2.gz VBVKOVYREAPECA-UHFFFAOYSA-N 0 1 286.419 2.648 20 30 CFEDMN C=CCC(F)(F)C(=O)N[C@@H]1CCN(C)[C@H]1c1ccccc1 ZINC000293407484 382112692 /nfs/dbraw/zinc/11/26/92/382112692.db2.gz KCWMCIPIZATJOG-KGLIPLIRSA-N 0 1 294.345 2.759 20 30 CFEDMN C[C@@H]1CN(CC(=O)Nc2ccc(C#N)cc2)CC(C)(C)C1 ZINC000344079423 382114519 /nfs/dbraw/zinc/11/45/19/382114519.db2.gz YICVLQMRWBVIAH-ZDUSSCGKSA-N 0 1 285.391 2.865 20 30 CFEDMN CC#CCN(C)C[C@@H](O)c1ccc(C(F)(F)F)cc1 ZINC000293317148 382076601 /nfs/dbraw/zinc/07/66/01/382076601.db2.gz XJHZRYNYONZNBW-CYBMUJFWSA-N 0 1 271.282 2.694 20 30 CFEDMN COCCN(Cc1ccc(C#N)cc1OC(F)F)C1CC1 ZINC000352018437 382132532 /nfs/dbraw/zinc/13/25/32/382132532.db2.gz ACVGCDHEFZJCJP-UHFFFAOYSA-N 0 1 296.317 2.770 20 30 CFEDMN N#CC1(c2ccccn2)CCN(CCc2ccncc2)CC1 ZINC000376593725 382153817 /nfs/dbraw/zinc/15/38/17/382153817.db2.gz ALWLWVBCOAGKRT-UHFFFAOYSA-N 0 1 292.386 2.576 20 30 CFEDMN CC(=O)c1ccc(C#N)cc1N1CCC(c2ccn[nH]2)CC1 ZINC000302050828 382204013 /nfs/dbraw/zinc/20/40/13/382204013.db2.gz NSDHTVGRSRHIPN-UHFFFAOYSA-N 0 1 294.358 2.868 20 30 CFEDMN CC[C@@]1(CO)CCCN(Cc2ccccc2C#N)C1 ZINC000187621329 382228832 /nfs/dbraw/zinc/22/88/32/382228832.db2.gz ZTBRVGSWRPKKNZ-MRXNPFEDSA-N 0 1 258.365 2.543 20 30 CFEDMN CN(C)[C@@H](CNc1c(C#N)cccc1C#N)c1ccco1 ZINC000302413474 382248259 /nfs/dbraw/zinc/24/82/59/382248259.db2.gz HIIHWPDESLICJZ-AWEZNQCLSA-N 0 1 280.331 2.738 20 30 CFEDMN CC(C)(CO)[C@@H](NCc1ccc(C#N)cc1)c1cccnc1 ZINC000293719077 382248993 /nfs/dbraw/zinc/24/89/93/382248993.db2.gz TUISZWADPQZHJN-KRWDZBQOSA-N 0 1 295.386 2.803 20 30 CFEDMN CC(C)(C#N)CC[N@H+]1CCC[C@@H](c2nc(C3CC3)n[nH]2)C1 ZINC000345959786 382325514 /nfs/dbraw/zinc/32/55/14/382325514.db2.gz ZGRKUCRNXGYNTA-CYBMUJFWSA-N 0 1 287.411 2.801 20 30 CFEDMN C[C@H]1CC[C@](CO)(N(C)Cc2cc(F)ccc2C#N)C1 ZINC000188026033 382328058 /nfs/dbraw/zinc/32/80/58/382328058.db2.gz QWYKUSPBIKBMRH-LRDDRELGSA-N 0 1 276.355 2.680 20 30 CFEDMN CNc1ccc(C#N)cc1NC(=O)c1cccc2cn[nH]c21 ZINC000352435552 382331367 /nfs/dbraw/zinc/33/13/67/382331367.db2.gz QCNIDLYHRWFIKJ-UHFFFAOYSA-N 0 1 291.314 2.729 20 30 CFEDMN COC1(C(F)(F)F)CCN([C@@H](C)CCC#N)CC1 ZINC000419351154 382295291 /nfs/dbraw/zinc/29/52/91/382295291.db2.gz OQYKDKLUKGNOMW-JTQLQIEISA-N 0 1 264.291 2.722 20 30 CFEDMN C=CCCCCNC(=O)N[C@H](c1nnc[nH]1)c1ccccc1 ZINC000364733728 382353453 /nfs/dbraw/zinc/35/34/53/382353453.db2.gz GGZDTRJHXBMLLU-AWEZNQCLSA-N 0 1 299.378 2.550 20 30 CFEDMN C[C@@H](O)C[C@@H]1CCCN1CC#Cc1ccccc1Cl ZINC000305199560 382434178 /nfs/dbraw/zinc/43/41/78/382434178.db2.gz AAJSXHHRIDGXNZ-HIFRSBDPSA-N 0 1 277.795 2.927 20 30 CFEDMN N#Cc1cncc(NC[C@H](c2ccco2)N2CCCCC2)n1 ZINC000420580442 382410567 /nfs/dbraw/zinc/41/05/67/382410567.db2.gz GZTLONIEGSBDDM-CQSZACIVSA-N 0 1 297.362 2.580 20 30 CFEDMN COC[C@@]1(C)CCN(Cc2ccc(F)c(C#N)c2)C1 ZINC000294201066 382456747 /nfs/dbraw/zinc/45/67/47/382456747.db2.gz LVLHOCXYJUJYSY-HNNXBMFYSA-N 0 1 262.328 2.556 20 30 CFEDMN Cc1ccc(NC(=O)c2ccc(C#N)c(O)c2)c(C)n1 ZINC000188775671 382474178 /nfs/dbraw/zinc/47/41/78/382474178.db2.gz MOTGLVXAHLIODY-UHFFFAOYSA-N 0 1 267.288 2.528 20 30 CFEDMN C=CC(C)(C)C(=O)NC[C@@H](c1cccc(F)c1)N(C)C ZINC000294277371 382490289 /nfs/dbraw/zinc/49/02/89/382490289.db2.gz FFJYCTSKPHBNFI-AWEZNQCLSA-N 0 1 278.371 2.757 20 30 CFEDMN C[C@@H](NC(=O)OC(C)(C)C)[C@H](C)NCc1ccc(C#N)o1 ZINC000381350258 382520120 /nfs/dbraw/zinc/52/01/20/382520120.db2.gz HTUZGDNLARKVBM-WDEREUQCSA-N 0 1 293.367 2.543 20 30 CFEDMN C=CCNC(=O)CN(C(C)C)[C@@H](C)c1ccsc1 ZINC000421010422 382505129 /nfs/dbraw/zinc/50/51/29/382505129.db2.gz OHRYOBWTWSKPID-LBPRGKRZSA-N 0 1 266.410 2.822 20 30 CFEDMN N#CCCCOc1cccc(CN2CC[C@]23CCOC3)c1 ZINC000421394743 382515225 /nfs/dbraw/zinc/51/52/25/382515225.db2.gz HCEVYLSHROQJQO-QGZVFWFLSA-N 0 1 286.375 2.734 20 30 CFEDMN C=CCCC(=O)N[C@@H]1CCN(C)[C@H]1c1ccc(F)cc1 ZINC000366840249 382552843 /nfs/dbraw/zinc/55/28/43/382552843.db2.gz GBEPLZPMMWUPIY-ZBFHGGJFSA-N 0 1 276.355 2.653 20 30 CFEDMN CC(=O)Nc1ccn([C@@H]2CCN([C@H](C)c3ccccn3)C2)n1 ZINC000328617210 382554979 /nfs/dbraw/zinc/55/49/79/382554979.db2.gz CLVVUEUENNUNJG-TZMCWYRMSA-N 0 1 299.378 2.894 20 30 CFEDMN CC(C)CCN(CCC#N)C(=O)[C@@H]1CCCc2c[nH]nc21 ZINC000367044294 382556833 /nfs/dbraw/zinc/55/68/33/382556833.db2.gz FGMHSXRYBZJCCE-CQSZACIVSA-N 0 1 288.395 2.618 20 30 CFEDMN C=CC[C@H](CC)NC(=O)N1CCC(c2cn[nH]c2C)CC1 ZINC000367067796 382557590 /nfs/dbraw/zinc/55/75/90/382557590.db2.gz OVIKJXRXNMEBOK-AWEZNQCLSA-N 0 1 290.411 2.962 20 30 CFEDMN CO[C@H]1CN(Cc2cc(C#N)ccc2F)CC[C@@H]1C ZINC000189264055 382577726 /nfs/dbraw/zinc/57/77/26/382577726.db2.gz YNBLECUXMCIOGG-NHYWBVRUSA-N 0 1 262.328 2.554 20 30 CFEDMN CC(C)[C@H](NCCC(C)(C)C#N)c1nnc2ccccn21 ZINC000346933740 382577824 /nfs/dbraw/zinc/57/78/24/382577824.db2.gz BOMIUABLEHMIOO-AWEZNQCLSA-N 0 1 285.395 2.956 20 30 CFEDMN C=CCSCCN[C@H](c1nnc[nH]1)c1ccc(F)cc1 ZINC000294812501 382531360 /nfs/dbraw/zinc/53/13/60/382531360.db2.gz PTZVQIWDMOMWEI-ZDUSSCGKSA-N 0 1 292.383 2.542 20 30 CFEDMN C=CCN(C)C[C@@H](O)c1ccccc1C(F)(F)F ZINC000189054538 382532198 /nfs/dbraw/zinc/53/21/98/382532198.db2.gz SZQZMNPOAXEDMK-GFCCVEGCSA-N 0 1 259.271 2.857 20 30 CFEDMN CC1(C)C[C@@H](O)CCN(Cc2ccc(F)c(C#N)c2)C1 ZINC000295279165 382606512 /nfs/dbraw/zinc/60/65/12/382606512.db2.gz FPTJJDZBCPUQGG-AWEZNQCLSA-N 0 1 276.355 2.680 20 30 CFEDMN CC1(C)CN(Cc2ccc(C#N)cc2)CC(C)(C)O1 ZINC000189648416 382632166 /nfs/dbraw/zinc/63/21/66/382632166.db2.gz FIZOVTGFJRNLFW-UHFFFAOYSA-N 0 1 258.365 2.948 20 30 CFEDMN CCOc1ccc(C#N)cc1NCc1n[nH]c(C2CC2)n1 ZINC000190355510 382663818 /nfs/dbraw/zinc/66/38/18/382663818.db2.gz DDJRVVZFVDNYKQ-UHFFFAOYSA-N 0 1 283.335 2.565 20 30 CFEDMN C[C@@H](C(=O)Nc1cccc(C#N)c1)N1C2CCC1CC2 ZINC000398915577 382636555 /nfs/dbraw/zinc/63/65/55/382636555.db2.gz PRMFOGNOVUHXMO-QGLTVNCISA-N 0 1 269.348 2.512 20 30 CFEDMN C=CCN(CCOC)CCC(=O)c1ccc(C)cc1 ZINC000191149991 382692992 /nfs/dbraw/zinc/69/29/92/382692992.db2.gz SFKALLAPUOXSEJ-UHFFFAOYSA-N 0 1 261.365 2.702 20 30 CFEDMN CC(C)O[C@@H]1CCN(Cc2ccc(C#N)cc2F)C1 ZINC000575056817 382724939 /nfs/dbraw/zinc/72/49/39/382724939.db2.gz UMKWUDNJEIVQTL-CQSZACIVSA-N 0 1 262.328 2.697 20 30 CFEDMN C=CCN1CC[C@H](N(CCC)Cc2ccc(F)cc2)C1=O ZINC000337131641 382765069 /nfs/dbraw/zinc/76/50/69/382765069.db2.gz JWCHXFJAONZVFC-INIZCTEOSA-N 0 1 290.382 2.825 20 30 CFEDMN C=CCN1CC[C@@H](N2CCc3sccc3[C@@H]2CC)C1=O ZINC000337138251 382766400 /nfs/dbraw/zinc/76/64/00/382766400.db2.gz OVGRCSFYEWYXLG-UONOGXRCSA-N 0 1 290.432 2.844 20 30 CFEDMN C=CCN(Cc1cccs1)C(=O)NCc1cn[nH]c1C ZINC000337552763 382841295 /nfs/dbraw/zinc/84/12/95/382841295.db2.gz SZSOTWVCCCEJMW-UHFFFAOYSA-N 0 1 290.392 2.677 20 30 CFEDMN C=CCN1CCN(Cc2ccccc2OCC)C[C@H]1C ZINC000441330636 382908214 /nfs/dbraw/zinc/90/82/14/382908214.db2.gz MGKNTERXLCAGED-OAHLLOKOSA-N 0 1 274.408 2.777 20 30 CFEDMN CCN(CCC#N)C(=O)c1cccc(C(F)(F)F)c1O ZINC000577884083 382874733 /nfs/dbraw/zinc/87/47/33/382874733.db2.gz BBFAYFQCBUEWHQ-UHFFFAOYSA-N 0 1 286.253 2.787 20 30 CFEDMN N#Cc1cccc(CNCc2cc(C(F)(F)F)n[nH]2)c1 ZINC000440813001 382885206 /nfs/dbraw/zinc/88/52/06/382885206.db2.gz LTEXBDNVIUJVQU-UHFFFAOYSA-N 0 1 280.253 2.590 20 30 CFEDMN C/C(=C/c1ccccc1)CN(C)[C@H](C)C(=O)N(C)CCC#N ZINC000494262959 382911114 /nfs/dbraw/zinc/91/11/14/382911114.db2.gz UCSVILNFMYIIFA-UGEDRFTOSA-N 0 1 299.418 2.782 20 30 CFEDMN Cn1cc(CN2CCC[C@@H]2c2ccccn2)cc1C#N ZINC000578108029 382891256 /nfs/dbraw/zinc/89/12/56/382891256.db2.gz XRQYUMIEDHENCN-MRXNPFEDSA-N 0 1 266.348 2.629 20 30 CFEDMN COc1cncc(/C=C/CCN(C)[C@@H](C)CC#N)c1 ZINC000578128911 382893665 /nfs/dbraw/zinc/89/36/65/382893665.db2.gz IFIAWOLXRRDTQH-BPJJOFIESA-N 0 1 259.353 2.727 20 30 CFEDMN C=CCCCCCNC(=O)Cc1[nH]nc2ccccc21 ZINC000578142460 382895352 /nfs/dbraw/zinc/89/53/52/382895352.db2.gz LNKCQUITQTZFAT-UHFFFAOYSA-N 0 1 271.364 2.968 20 30 CFEDMN C[C@@H](C#N)CN(C)C[C@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC000494347360 382912216 /nfs/dbraw/zinc/91/22/16/382912216.db2.gz DGVQUQLILPWTPG-UONOGXRCSA-N 0 1 295.427 2.725 20 30 CFEDMN C[C@H]1CCCC[C@@H]1N(C)C(=O)CN1CCC(CC#N)CC1 ZINC000541024759 382965077 /nfs/dbraw/zinc/96/50/77/382965077.db2.gz POTHIZQBZIOYJY-HOCLYGCPSA-N 0 1 291.439 2.649 20 30 CFEDMN COC(=O)c1cccc(CN2CCC[C@@H](C)[C@H]2C)c1C#N ZINC000534471071 382931348 /nfs/dbraw/zinc/93/13/48/382931348.db2.gz ZYMQANKOTRSCIG-CHWSQXEVSA-N 0 1 286.375 2.965 20 30 CFEDMN COC(=O)c1cccc(CN2CCC[C@H](C)[C@H]2C)c1C#N ZINC000534471073 382931779 /nfs/dbraw/zinc/93/17/79/382931779.db2.gz ZYMQANKOTRSCIG-QWHCGFSZSA-N 0 1 286.375 2.965 20 30 CFEDMN CC(C)C[C@@H]1C(=O)NCCN1CCCCC(C)(C)C#N ZINC000444689564 382977335 /nfs/dbraw/zinc/97/73/35/382977335.db2.gz OFBNNQMKSTZXCG-CQSZACIVSA-N 0 1 279.428 2.553 20 30 CFEDMN CN(Cc1cc(C(C)(C)C)[nH]n1)C(=O)NCCCCC#N ZINC000445055012 382983751 /nfs/dbraw/zinc/98/37/51/382983751.db2.gz VPYFDAZVMLTNFB-UHFFFAOYSA-N 0 1 291.399 2.542 20 30 CFEDMN C[C@@H](NCCOc1ccc(C#N)cc1)c1ccncc1F ZINC000338361308 383004155 /nfs/dbraw/zinc/00/41/55/383004155.db2.gz YQBHKPUXNXVLLP-GFCCVEGCSA-N 0 1 285.322 2.822 20 30 CFEDMN C[C@@H](C(=O)Nc1ccccc1CC#N)N1CCCCCC1 ZINC000580221341 383078295 /nfs/dbraw/zinc/07/82/95/383078295.db2.gz OVPKWVVMKCADLF-AWEZNQCLSA-N 0 1 285.391 2.956 20 30 CFEDMN COc1cccc([C@@H]2C[C@H]2NC[C@H](C#N)CCC#N)c1 ZINC000579692171 383043299 /nfs/dbraw/zinc/04/32/99/383043299.db2.gz HHGAGLXKITXTGO-VBNZEHGJSA-N 0 1 269.348 2.584 20 30 CFEDMN N#CC1CCC(CNc2nc(C3CC3)ns2)CC1 ZINC000579913340 383064416 /nfs/dbraw/zinc/06/44/16/383064416.db2.gz DAUQSNZTOCGGGC-UHFFFAOYSA-N 0 1 262.382 2.579 20 30 CFEDMN CCCN(C)CC(=O)Nc1ccc(Cl)cc1CC#N ZINC000580723510 383079997 /nfs/dbraw/zinc/07/99/97/383079997.db2.gz BBTGWJVGVDTPLM-UHFFFAOYSA-N 0 1 279.771 2.686 20 30 CFEDMN CCNc1ccc(C#N)cc1NC(=O)[C@H](C)Cc1cnc[nH]1 ZINC000579976019 383073509 /nfs/dbraw/zinc/07/35/09/383073509.db2.gz DJWAQCGNSUZRCN-LLVKDONJSA-N 0 1 297.362 2.530 20 30 CFEDMN CCc1ccc(CNCc2cnc3c(C#N)cnn3c2)s1 ZINC000550156976 383020066 /nfs/dbraw/zinc/02/00/66/383020066.db2.gz ONMBTLLFETYHMH-UHFFFAOYSA-N 0 1 297.387 2.515 20 30 CFEDMN C=CCCN(C)CC(=O)Nc1ccccc1Cl ZINC000338545830 383022601 /nfs/dbraw/zinc/02/26/01/383022601.db2.gz HYVGCSZEERTGBY-UHFFFAOYSA-N 0 1 252.745 2.786 20 30 CFEDMN Cc1[nH]n(-c2cccc3cnccc32)c(=O)c1CCC#N ZINC000601962091 383130414 /nfs/dbraw/zinc/13/04/14/383130414.db2.gz YIGQKHQLUUYRDZ-ZDUSSCGKSA-N 0 1 278.315 2.877 20 30 CFEDMN N#Cc1ccc2c(c1)N(Cc1cc(O)ccc1[N+](=O)[O-])CC2 ZINC000339055633 383134847 /nfs/dbraw/zinc/13/48/47/383134847.db2.gz RKNWNESLHUBSGS-UHFFFAOYSA-N 0 1 295.298 2.735 20 30 CFEDMN CCNC(=O)C(C#N)c1nc(-c2ccc(C)cc2)cs1 ZINC000505467353 383142272 /nfs/dbraw/zinc/14/22/72/383142272.db2.gz MWZWWKSMJHENAM-LBPRGKRZSA-N 0 1 285.372 2.862 20 30 CFEDMN C=C(C)C[N@H+]1C[C@@H](C2CCCCC2)C[C@@H]1C(=O)[O-] ZINC000583511758 383090316 /nfs/dbraw/zinc/09/03/16/383090316.db2.gz WRKBGKSTJSHCML-UONOGXRCSA-N 0 1 251.370 2.918 20 30 CFEDMN C=CCC1(C(=O)NCc2cn[nH]c2C)CCCCC1 ZINC000448656363 383094836 /nfs/dbraw/zinc/09/48/36/383094836.db2.gz NVSHXELCSYFJSO-UHFFFAOYSA-N 0 1 261.369 2.861 20 30 CFEDMN C[C@H]1CCN(Cc2ccc(C#N)cc2F)C[C@H]1n1ccnc1 ZINC000246868399 383114661 /nfs/dbraw/zinc/11/46/61/383114661.db2.gz AWHBDTVIPVHHCB-SUMWQHHRSA-N 0 1 298.365 2.977 20 30 CFEDMN Cc1nnc([C@H](C)NCCCCC(C)(C)C#N)o1 ZINC000564808906 383172161 /nfs/dbraw/zinc/17/21/61/383172161.db2.gz UFEJJBPDYQWONR-JTQLQIEISA-N 0 1 250.346 2.749 20 30 CFEDMN Cc1cccc(OC[C@@H](C)NC[C@H](C#N)CCC#N)c1 ZINC000564845485 383172905 /nfs/dbraw/zinc/17/29/05/383172905.db2.gz BFDVOEIFZBJWQJ-CABCVRRESA-N 0 1 271.364 2.795 20 30 CFEDMN C=CC[N@@H+](C)CCOc1ccc(C(=O)[O-])cc1Cl ZINC000566801698 383212396 /nfs/dbraw/zinc/21/23/96/383212396.db2.gz CLJCSFHTSDFNTF-UHFFFAOYSA-N 0 1 269.728 2.535 20 30 CFEDMN CCN(CCC#N)CC/C=C/c1cncc(OC)c1 ZINC000564899463 383174246 /nfs/dbraw/zinc/17/42/46/383174246.db2.gz ZYEZWFOLGUBMFC-QPJJXVBHSA-N 0 1 259.353 2.729 20 30 CFEDMN C[C@@H]1CC[C@@H](C)N1CC(=O)Nc1ccccc1CC#N ZINC000565205504 383177748 /nfs/dbraw/zinc/17/77/48/383177748.db2.gz SYVOEYOKMJHFHU-CHWSQXEVSA-N 0 1 271.364 2.564 20 30 CFEDMN CCC[C@@]1(C)CCCN(CC(=O)N[C@](C)(C#N)C(C)C)C1 ZINC000247530262 383181614 /nfs/dbraw/zinc/18/16/14/383181614.db2.gz OELJKJSJDLLLER-DLBZAZTESA-N 0 1 293.455 2.943 20 30 CFEDMN C=C(C)CN(Cc1ccc(CO)o1)[C@H]1CC[C@@H](C#N)C1 ZINC000339192448 383182285 /nfs/dbraw/zinc/18/22/85/383182285.db2.gz FKHXYPZLDXRXEJ-KGLIPLIRSA-N 0 1 274.364 2.842 20 30 CFEDMN CC(C)n1cncc1CNCc1ccc(C#N)s1 ZINC000424169085 383196255 /nfs/dbraw/zinc/19/62/55/383196255.db2.gz JENZSZWPJAACLZ-UHFFFAOYSA-N 0 1 260.366 2.687 20 30 CFEDMN C[C@@H](CN(C)Cc1ccc(C#N)cn1)c1nccs1 ZINC000514735205 383154891 /nfs/dbraw/zinc/15/48/91/383154891.db2.gz APVLDDONVKTZNJ-NSHDSACASA-N 0 1 272.377 2.645 20 30 CFEDMN C[C@@H](CNCC1(C#N)CC1)c1cc(F)cc(F)c1 ZINC000562522506 383158896 /nfs/dbraw/zinc/15/88/96/383158896.db2.gz KZODDGSOYQJSNH-JTQLQIEISA-N 0 1 250.292 2.962 20 30 CFEDMN C=CCOCCC[N@H+]1[C@H](C(=O)[O-])CC[C@H]1c1ccccc1 ZINC000516585477 383165657 /nfs/dbraw/zinc/16/56/57/383165657.db2.gz SMSBMFGOOBUCBS-HOTGVXAUSA-N 0 1 289.375 2.869 20 30 CFEDMN C=C(C)C(C)(C)C(=O)N[C@H](C)c1n[nH]c(C(C)C)n1 ZINC000424753217 383250795 /nfs/dbraw/zinc/25/07/95/383250795.db2.gz YGAXPXKMOURTSX-SNVBAGLBSA-N 0 1 264.373 2.708 20 30 CFEDMN CC(C)(CO)[C@@H](NCc1ccc(C#N)cn1)c1ccccc1 ZINC000520423970 383254630 /nfs/dbraw/zinc/25/46/30/383254630.db2.gz SFAWNJRLAZGSHK-KRWDZBQOSA-N 0 1 295.386 2.803 20 30 CFEDMN C=C(C)C(C)(C)C(=O)NCCc1nnc(-c2ccccc2)[nH]1 ZINC000424770170 383257472 /nfs/dbraw/zinc/25/74/72/383257472.db2.gz BXDGRZCWPROCGE-UHFFFAOYSA-N 0 1 298.390 2.733 20 30 CFEDMN CCN(C[C@@H](O)C(F)(F)F)[C@H](C)c1ccc(C#N)cc1 ZINC000248607091 383270394 /nfs/dbraw/zinc/27/03/94/383270394.db2.gz WQIFUKZWMCEENQ-ZWNOBZJWSA-N 0 1 286.297 2.864 20 30 CFEDMN C=CCCC[N@H+](C)[C@@H](C(=O)[O-])c1ccccc1F ZINC000566979330 383230707 /nfs/dbraw/zinc/23/07/07/383230707.db2.gz SSEHXQXEXAPQGD-CYBMUJFWSA-N 0 1 251.301 2.849 20 30 CFEDMN C=CCCCCCN(C)C(=O)[C@H](C)N1CC(C)C1 ZINC000519832443 383240573 /nfs/dbraw/zinc/24/05/73/383240573.db2.gz IDGWVZXDCGQSGD-AWEZNQCLSA-N 0 1 252.402 2.531 20 30 CFEDMN N#Cc1cccc(CNCc2ccc3c(n2)CCC3)c1 ZINC000519869747 383244092 /nfs/dbraw/zinc/24/40/92/383244092.db2.gz FSWUOORDPNBTML-UHFFFAOYSA-N 0 1 263.344 2.732 20 30 CFEDMN CCN(CC)[C@@H](C(=O)N[C@@H]1CC[C@H](C#N)C1)c1ccccc1 ZINC000424978156 383302299 /nfs/dbraw/zinc/30/22/99/383302299.db2.gz OIUKPSJHPJDQSG-USXIJHARSA-N 0 1 299.418 2.878 20 30 CFEDMN COC(=O)[C@@H]1[C@H]2CCC[C@H]2CN1Cc1ccc(C#N)cc1C ZINC000248889299 383303943 /nfs/dbraw/zinc/30/39/43/383303943.db2.gz YJAOHRPLQAUTMX-ULQDDVLXSA-N 0 1 298.386 2.640 20 30 CFEDMN Cc1nc2cc(NC[C@@H](C#N)CCC#N)ccc2n1C ZINC000567702045 383305042 /nfs/dbraw/zinc/30/50/42/383305042.db2.gz RXZCSRHYVAKECN-GFCCVEGCSA-N 0 1 267.336 2.737 20 30 CFEDMN C=CCOc1ccc(CN[C@@H](CO)CC(F)(F)F)cc1 ZINC000339795845 383320902 /nfs/dbraw/zinc/32/09/02/383320902.db2.gz PZWKZWVCXCJVNG-GFCCVEGCSA-N 0 1 289.297 2.654 20 30 CFEDMN C=CCN(Cc1cccc([N+](=O)[O-])c1)C[C@H](O)CCC ZINC000450298424 383389498 /nfs/dbraw/zinc/38/94/98/383389498.db2.gz MHUSRBLLAUHZFF-OAHLLOKOSA-N 0 1 278.352 2.744 20 30 CFEDMN CO[C@@H]1CN(CC#Cc2ccc(F)cc2)CC[C@@H]1C ZINC000251640711 383392322 /nfs/dbraw/zinc/39/23/22/383392322.db2.gz HEAWCIUNNQUWIG-XJKSGUPXSA-N 0 1 261.340 2.534 20 30 CFEDMN C=CCCCN(C)Cc1ccc(S(=O)(=O)CC)cc1 ZINC000450424371 383404179 /nfs/dbraw/zinc/40/41/79/383404179.db2.gz QPBDZKVGKHNOBY-UHFFFAOYSA-N 0 1 281.421 2.878 20 30 CFEDMN C=C[C@H]1CCCCN1Cc1cnc(N(C)C)s1 ZINC000426546837 383404940 /nfs/dbraw/zinc/40/49/40/383404940.db2.gz XOAIQIPGBNEEKV-NSHDSACASA-N 0 1 251.399 2.750 20 30 CFEDMN C=CCCN(C)CC(=O)NCCc1c(C)cc(C)cc1C ZINC000467286353 383350941 /nfs/dbraw/zinc/35/09/41/383350941.db2.gz SYIGPULCVWGLKI-UHFFFAOYSA-N 0 1 288.435 2.778 20 30 CFEDMN C=C[C@@H]1OCC[C@H]1NCc1csc(-c2ccccn2)n1 ZINC000449524141 383352775 /nfs/dbraw/zinc/35/27/75/383352775.db2.gz ZBGZCOFZUFVRCT-OCCSQVGLSA-N 0 1 287.388 2.638 20 30 CFEDMN C=CCOc1ccccc1C[N@@H+]1CC[C@H](CCCO)C1 ZINC000449792543 383365752 /nfs/dbraw/zinc/36/57/52/383365752.db2.gz UBUUQECDBMPVSE-HNNXBMFYSA-N 0 1 275.392 2.846 20 30 CFEDMN COC(=O)[C@@H]1CCN(CC#Cc2cccc(Cl)c2)[C@H]1C ZINC000469996069 383374925 /nfs/dbraw/zinc/37/49/25/383374925.db2.gz INNHUZXFRJBTOV-SWLSCSKDSA-N 0 1 291.778 2.575 20 30 CFEDMN C=CCC1(C(=O)N[C@H](C)c2nnc[nH]2)CCCCC1 ZINC000450003103 383376532 /nfs/dbraw/zinc/37/65/32/383376532.db2.gz LLOBCICWUOQSAM-LLVKDONJSA-N 0 1 262.357 2.509 20 30 CFEDMN N#Cc1ccc(CN2CCCC[C@H]2[C@H](O)C(F)(F)F)cc1 ZINC000340206148 383381377 /nfs/dbraw/zinc/38/13/77/383381377.db2.gz SUSCZQGFSWFDQY-KBPBESRZSA-N 0 1 298.308 2.836 20 30 CFEDMN CCCCN(C)C(=O)C1CCN(CC2(C#N)CCC2)CC1 ZINC000450270917 383388222 /nfs/dbraw/zinc/38/82/22/383388222.db2.gz VAIRJQTYJAVVGH-UHFFFAOYSA-N 0 1 291.439 2.651 20 30 CFEDMN CN(CCC1CCOCC1)Cc1cccc(F)c1C#N ZINC000428229417 383431952 /nfs/dbraw/zinc/43/19/52/383431952.db2.gz FKDINXIOGIJHIS-UHFFFAOYSA-N 0 1 276.355 2.946 20 30 CFEDMN C=CCOCCCNCc1nc2cc(F)ccc2o1 ZINC000634985867 383444860 /nfs/dbraw/zinc/44/48/60/383444860.db2.gz FIPVHFZLTHJOFI-UHFFFAOYSA-N 0 1 264.300 2.649 20 30 CFEDMN CN(Cc1cccc(F)c1C#N)C[C@@H]1CCCC[C@@H]1O ZINC000428317539 383450535 /nfs/dbraw/zinc/45/05/35/383450535.db2.gz CUVRBWGSZVDHQU-BBRMVZONSA-N 0 1 276.355 2.680 20 30 CFEDMN CC(C)(C)[C@@H]1CCN(CC#Cc2ccccc2)C[C@@H]1O ZINC000484091349 383454677 /nfs/dbraw/zinc/45/46/77/383454677.db2.gz FCKPXIJYFMCVPE-SJORKVTESA-N 0 1 271.404 2.767 20 30 CFEDMN N#CC1(CNCc2cccc(-n3cccn3)c2)CCC1 ZINC000569204704 383476849 /nfs/dbraw/zinc/47/68/49/383476849.db2.gz QRHNVOLJJCYMRL-UHFFFAOYSA-N 0 1 266.348 2.656 20 30 CFEDMN C=C(C)CN(CC)C(=O)CN(C)C1CC(OC(C)(C)C)C1 ZINC000568616253 383418834 /nfs/dbraw/zinc/41/88/34/383418834.db2.gz MWSGXMIVOFJEAU-UHFFFAOYSA-N 0 1 296.455 2.689 20 30 CFEDMN C=CC[C@H](C(=O)N1C[C@@H](C)N(C)C[C@@H]1C)c1ccccc1 ZINC000428023622 383419704 /nfs/dbraw/zinc/41/97/04/383419704.db2.gz LXRALQMFKUYZNY-VYDXJSESSA-N 0 1 286.419 2.897 20 30 CFEDMN Cc1cc(CN[C@@H](C)c2ccc(C#N)cc2)nc(C)n1 ZINC000340615722 383488096 /nfs/dbraw/zinc/48/80/96/383488096.db2.gz FTAAHBUKERBPDL-LBPRGKRZSA-N 0 1 266.348 2.816 20 30 CFEDMN CC(=O)c1cccc(C(=O)C(C#N)c2cc(C)nc(C)n2)c1 ZINC000340884055 383498815 /nfs/dbraw/zinc/49/88/15/383498815.db2.gz UQHQEDSSZYZUII-OAHLLOKOSA-N 0 1 293.326 2.786 20 30 CFEDMN CCCCN(CCOC)Cc1cccc(C#N)c1F ZINC000340921400 383506176 /nfs/dbraw/zinc/50/61/76/383506176.db2.gz QIRULCAWDDMHBU-UHFFFAOYSA-N 0 1 264.344 2.946 20 30 CFEDMN C[C@@H]1CN(C(=O)C(C)(C)C)C[C@@H](C)N1CCCCC#N ZINC000429392768 383527869 /nfs/dbraw/zinc/52/78/69/383527869.db2.gz HIQKTYSLOQLKFI-ZIAGYGMSSA-N 0 1 279.428 2.648 20 30 CFEDMN C=CCN(Cc1cccs1)Cc1nc(C(C)(C)N)no1 ZINC000430585759 383594266 /nfs/dbraw/zinc/59/42/66/383594266.db2.gz RBBJDZNUEFCPOF-UHFFFAOYSA-N 0 1 292.408 2.513 20 30 CFEDMN C[C@H](NCC1(CC#N)CC1)c1nc2ccccc2n1C ZINC000430745131 383598462 /nfs/dbraw/zinc/59/84/62/383598462.db2.gz VWLOUZXCGOXXBL-LBPRGKRZSA-N 0 1 268.364 2.918 20 30 CFEDMN Cn1c2ccccc2nc1C(C#N)C(=O)c1cncs1 ZINC000429675400 383556918 /nfs/dbraw/zinc/55/69/18/383556918.db2.gz NACHNALTRMULLX-VIFPVBQESA-N 0 1 282.328 2.520 20 30 CFEDMN Cn1c2ccccc2nc1[C@@H](C#N)C(=O)c1cncs1 ZINC000429675400 383556931 /nfs/dbraw/zinc/55/69/31/383556931.db2.gz NACHNALTRMULLX-VIFPVBQESA-N 0 1 282.328 2.520 20 30 CFEDMN CCO[C@@H]1CCN(Cc2ccc(F)c(C#N)c2)C[C@@H]1C ZINC000451547780 383641455 /nfs/dbraw/zinc/64/14/55/383641455.db2.gz UNNCBWBOAUCKKV-BLLLJJGKSA-N 0 1 276.355 2.944 20 30 CFEDMN C=CCN1CC[C@@H](N[C@H](CC)c2ccc(F)cc2F)C1=O ZINC000280900524 195021575 /nfs/dbraw/zinc/02/15/75/195021575.db2.gz BMVZVOPFAGMYNO-HUUCEWRRSA-N 0 1 294.345 2.792 20 30 CFEDMN C[C@@H]1CCN(Cc2ncc(C#N)cn2)[C@H]2CCCC[C@H]12 ZINC000570786123 383633476 /nfs/dbraw/zinc/63/34/76/383633476.db2.gz FEFQNUIGLJJUJA-YUELXQCFSA-N 0 1 270.380 2.749 20 30 CFEDMN N#CC(C(=O)NCc1ccccc1)C(=O)[C@H]1CCCC12CC2 ZINC000528917405 383675948 /nfs/dbraw/zinc/67/59/48/383675948.db2.gz GWXCVSDYYAOZCH-LSDHHAIUSA-N 0 1 296.370 2.592 20 30 CFEDMN Cc1cc(C(C#N)C(=O)[C@H]2CCCC23CC3)nc(C)n1 ZINC000528918166 383675970 /nfs/dbraw/zinc/67/59/70/383675970.db2.gz OEVXFCYZRSCBOG-CHWSQXEVSA-N 0 1 269.348 2.850 20 30 CFEDMN C#CCN1CCC(c2nc(-c3ccc(F)cc3)no2)CC1 ZINC000264586695 383758741 /nfs/dbraw/zinc/75/87/41/383758741.db2.gz DPJBBCQIOMMIGO-UHFFFAOYSA-N 0 1 285.322 2.688 20 30 CFEDMN COc1ccc(OCCCN(C)CC(C)(C)C#N)cc1 ZINC000433297027 383759478 /nfs/dbraw/zinc/75/94/78/383759478.db2.gz KGFUCCMGMKPWDU-UHFFFAOYSA-N 0 1 276.380 2.946 20 30 CFEDMN CC[C@@H](CC#N)NC(=O)C(C#N)CCc1ccccc1 ZINC000433379288 383762005 /nfs/dbraw/zinc/76/20/05/383762005.db2.gz UBRKXXISNCKCHI-CABCVRRESA-N 0 1 269.348 2.567 20 30 CFEDMN C=CCN(Cc1ccc(OC)cc1)C(=O)c1cnc(C)[nH]1 ZINC000264627350 383764972 /nfs/dbraw/zinc/76/49/72/383764972.db2.gz CGQHIUTXNPSMDJ-UHFFFAOYSA-N 0 1 285.347 2.555 20 30 CFEDMN C=CC[C@H](CC)NC(=O)CN(C)CCc1ccccc1 ZINC000635892477 383660255 /nfs/dbraw/zinc/66/02/55/383660255.db2.gz ZECQIIUUFJUTPK-INIZCTEOSA-N 0 1 274.408 2.632 20 30 CFEDMN COC(=O)[C@@H]1CCCC[C@@H]1NCc1cccc(F)c1C#N ZINC000451596845 383664989 /nfs/dbraw/zinc/66/49/89/383664989.db2.gz ZGZGZLIJMFGIRX-DOMZBBRYSA-N 0 1 290.338 2.519 20 30 CFEDMN C=C[C@@H]1OCC[C@H]1NCc1ccc(Cl)cc1C#N ZINC000451611420 383666716 /nfs/dbraw/zinc/66/67/16/383666716.db2.gz WIORCOGRGMQIHE-KGLIPLIRSA-N 0 1 262.740 2.645 20 30 CFEDMN C=C[C@@H]1OCC[C@H]1NCc1ccc(C#N)cc1Cl ZINC000451610926 383666952 /nfs/dbraw/zinc/66/69/52/383666952.db2.gz VCGGQTBKCFVAPE-KGLIPLIRSA-N 0 1 262.740 2.645 20 30 CFEDMN C=CCCCC(=O)NCc1nc(-c2ccc(F)cc2)n[nH]1 ZINC000531121400 383821388 /nfs/dbraw/zinc/82/13/88/383821388.db2.gz JYBNPXYHJJGGPM-UHFFFAOYSA-N 0 1 288.326 2.583 20 30 CFEDMN C=CCCCC(=O)NCc1n[nH]c(-c2ccc(F)cc2)n1 ZINC000531121400 383821398 /nfs/dbraw/zinc/82/13/98/383821398.db2.gz JYBNPXYHJJGGPM-UHFFFAOYSA-N 0 1 288.326 2.583 20 30 CFEDMN CC(C)OC1CCN(Cc2ccccc2C#N)CC1 ZINC000530686844 383784644 /nfs/dbraw/zinc/78/46/44/383784644.db2.gz WNPATCPQWBFNKF-UHFFFAOYSA-N 0 1 258.365 2.948 20 30 CFEDMN C=C[C@](C)(CC)C(=O)N1C[C@@H](C)N(CC)[C@@H](C)C1 ZINC000640608177 383843372 /nfs/dbraw/zinc/84/33/72/383843372.db2.gz MLXPTLDTAOJMDZ-VNHYZAJKSA-N 0 1 252.402 2.530 20 30 CFEDMN C=C[C@H]1CCCCN1C(=O)Nc1cc(CN(C)C)ccn1 ZINC000640568898 383831614 /nfs/dbraw/zinc/83/16/14/383831614.db2.gz GRRPNAIXECVAFE-AWEZNQCLSA-N 0 1 288.395 2.716 20 30 CFEDMN C=CC[C@@H](CC)NC(=O)Nc1cc(CN(C)C)ccn1 ZINC000640569147 383832444 /nfs/dbraw/zinc/83/24/44/383832444.db2.gz IHAIPAHQTDWFDH-CYBMUJFWSA-N 0 1 276.384 2.619 20 30 CFEDMN CC(C)(CCC#N)CNC(=O)c1ccc(F)cc1O ZINC000436734436 383885090 /nfs/dbraw/zinc/88/50/90/383885090.db2.gz ANLQVCBCNGXWDX-UHFFFAOYSA-N 0 1 264.300 2.591 20 30 CFEDMN C=CC[C@H]1CCCN(C(=O)c2cc(C(F)F)[nH]n2)C1 ZINC000640701506 383892413 /nfs/dbraw/zinc/89/24/13/383892413.db2.gz XSGFMCUWLAHKPN-VIFPVBQESA-N 0 1 269.295 2.776 20 30 CFEDMN C=CCOc1ccccc1CNC(=O)c1[nH]nc(C)c1C ZINC000265351805 383899873 /nfs/dbraw/zinc/89/98/73/383899873.db2.gz XPAIDNNURROTRM-UHFFFAOYSA-N 0 1 285.347 2.521 20 30 CFEDMN C[C@@H](CNc1ccc(Cl)cc1C#N)CN1CCOCC1 ZINC000265560772 383944752 /nfs/dbraw/zinc/94/47/52/383944752.db2.gz JDLGWASDSIGGQZ-LBPRGKRZSA-N 0 1 293.798 2.592 20 30 CFEDMN C=CCN(CCc1cnn(C)c1)Cc1ccccc1F ZINC000265623303 383961332 /nfs/dbraw/zinc/96/13/32/383961332.db2.gz QZTHYCLYGYVGSP-UHFFFAOYSA-N 0 1 273.355 2.790 20 30 CFEDMN C=CCCCCCN1CCN(c2nccnc2C)CC1 ZINC000440482777 384088799 /nfs/dbraw/zinc/08/87/99/384088799.db2.gz BUCPDDHNLGBIFQ-UHFFFAOYSA-N 0 1 274.412 2.653 20 30 CFEDMN N#CCC[C@H](C#N)CN[C@@H]1C[C@H]1c1ccc(F)cc1 ZINC000574894668 384161548 /nfs/dbraw/zinc/16/15/48/384161548.db2.gz KYSZFVIIKSGGKD-BYCMXARLSA-N 0 1 257.312 2.715 20 30 CFEDMN CCn1cc(CN[C@H](C)c2cccc(C#N)c2)cn1 ZINC000266584532 384203362 /nfs/dbraw/zinc/20/33/62/384203362.db2.gz MGJWTORSQBUSED-GFCCVEGCSA-N 0 1 254.337 2.625 20 30 CFEDMN CC#CC(=O)Nc1ccc(CN2CCSCC2)cc1C ZINC000277354465 384275685 /nfs/dbraw/zinc/27/56/85/384275685.db2.gz FJVTYWBIEWTLKU-UHFFFAOYSA-N 0 1 288.416 2.506 20 30 CFEDMN C[C@@H](CN1CCCCC1)Nc1snc(Cl)c1C#N ZINC000267175256 384315022 /nfs/dbraw/zinc/31/50/22/384315022.db2.gz CZBQROKSWGBPRQ-VIFPVBQESA-N 0 1 284.816 2.954 20 30 CFEDMN C[C@@H](NCc1ccc(C#N)o1)[C@@H](O)c1cccc(F)c1 ZINC000267193683 384320064 /nfs/dbraw/zinc/32/00/64/384320064.db2.gz MXNFBEVFUXIEJT-MEBBXXQBSA-N 0 1 274.295 2.502 20 30 CFEDMN CC#CC[C@H](CO)NCc1cccc(Cl)c1Cl ZINC000641769669 384337184 /nfs/dbraw/zinc/33/71/84/384337184.db2.gz XTSNOQOJLNEYDM-LLVKDONJSA-N 0 1 272.175 2.857 20 30 CFEDMN CC#CC(=O)N1CCC[C@@H]1c1nc2ccc(C)cc2[nH]1 ZINC000277616019 384354119 /nfs/dbraw/zinc/35/41/19/384354119.db2.gz IEIIDCCCLWIGNW-CQSZACIVSA-N 0 1 267.332 2.558 20 30 CFEDMN CCN(CC#Cc1ccc(Cl)cc1)CCOC ZINC000267386371 384375853 /nfs/dbraw/zinc/37/58/53/384375853.db2.gz NOEVHSBVDGGEPL-UHFFFAOYSA-N 0 1 251.757 2.660 20 30 CFEDMN C=CCN(CCc1ccccc1)Cc1c(C)cnn1C ZINC000289390936 197324570 /nfs/dbraw/zinc/32/45/70/197324570.db2.gz QWHPAZPRAIQPDV-UHFFFAOYSA-N 0 1 269.392 2.959 20 30 CFEDMN CC(C)(C)CN(CCC#N)C(=O)[C@@H]1CCCc2[nH]ncc21 ZINC000268161723 384550105 /nfs/dbraw/zinc/55/01/05/384550105.db2.gz POFNEYBGCKQXIK-GFCCVEGCSA-N 0 1 288.395 2.618 20 30 CFEDMN C[C@@H](O)c1ncc(CN[C@H](C)c2ccc(C#N)cc2)s1 ZINC000289346997 197305176 /nfs/dbraw/zinc/30/51/76/197305176.db2.gz WXTBQFARUOFJAI-GHMZBOCLSA-N 0 1 287.388 2.919 20 30 CFEDMN C[C@H]1CN(C2CC2)C[C@@H]1Nc1ncc(C#N)cc1Cl ZINC000268187781 384559706 /nfs/dbraw/zinc/55/97/06/384559706.db2.gz UZPLGTCZPRJLTR-ZANVPECISA-N 0 1 276.771 2.501 20 30 CFEDMN C=CCOc1cccc(NC(=O)[C@H]2CCCN2C2CC2)c1 ZINC000278450471 384580086 /nfs/dbraw/zinc/58/00/86/384580086.db2.gz MZDFPGGJALMIOI-MRXNPFEDSA-N 0 1 286.375 2.817 20 30 CFEDMN N#Cc1cc([N+](=O)[O-])ccc1N[C@H]1CCCc2cn[nH]c21 ZINC000268841219 384672461 /nfs/dbraw/zinc/67/24/61/384672461.db2.gz OQMAYXMFRANTKT-ZDUSSCGKSA-N 0 1 283.291 2.679 20 30 CFEDMN C=CC(C)(C)CCNC(=O)[C@@H](N)Cc1c[nH]c2ccccc12 ZINC000638454454 384673304 /nfs/dbraw/zinc/67/33/04/384673304.db2.gz HAHIQJDOFPWMIG-HNNXBMFYSA-N 0 1 299.418 2.756 20 30 CFEDMN C=CCN1CC[C@@H](N[C@@H](C)c2cccc(Cl)c2)C1=O ZINC000281157044 195128292 /nfs/dbraw/zinc/12/82/92/195128292.db2.gz KFXLGLQOVOFBPO-SMDDNHRTSA-N 0 1 278.783 2.778 20 30 CFEDMN C=C(CNC(=O)N[C@H](C)Cc1cc(C)[nH]n1)c1ccccc1 ZINC000289278412 197282659 /nfs/dbraw/zinc/28/26/59/197282659.db2.gz SJCZFUPKVQZSRS-CYBMUJFWSA-N 0 1 298.390 2.662 20 30 CFEDMN C#CC[C@@H](NCc1cnn(CC)c1)c1ccccc1 ZINC000270241292 385026606 /nfs/dbraw/zinc/02/66/06/385026606.db2.gz SCRPIDFNAAXMGH-MRXNPFEDSA-N 0 1 253.349 2.757 20 30 CFEDMN C=C(C)[C@H](CC(=O)Nc1ncc(C(F)(F)F)[nH]1)OCC ZINC000270465810 385113764 /nfs/dbraw/zinc/11/37/64/385113764.db2.gz RGYYQYRJMVXRKX-QMMMGPOBSA-N 0 1 291.273 2.738 20 30 CFEDMN N#C[C@H]1CC[C@H]([NH+]2CCC(C(=O)c3ccc([O-])cc3)CC2)C1 ZINC000645092110 385183486 /nfs/dbraw/zinc/18/34/86/385183486.db2.gz JRMZIOVWNBQOLO-BBRMVZONSA-N 0 1 298.386 2.979 20 30 CFEDMN C=C[C@@H](CC(=O)N[C@H](C)c1n[nH]c(CC)n1)c1ccccc1 ZINC000270595418 385159432 /nfs/dbraw/zinc/15/94/32/385159432.db2.gz CEHMCPLKSSIODN-OLZOCXBDSA-N 0 1 298.390 2.904 20 30 CFEDMN CC(C)c1nc([C@@H](C)NC(=O)Nc2cccc(C#N)c2)n[nH]1 ZINC000270726180 385206277 /nfs/dbraw/zinc/20/62/77/385206277.db2.gz POSXVSRCWCSQOO-SNVBAGLBSA-N 0 1 298.350 2.682 20 30 CFEDMN C#CCN(C)Cc1ccc(OCC(F)(F)F)cc1 ZINC000192222630 533108808 /nfs/dbraw/zinc/10/88/08/533108808.db2.gz LRPKCTLOTBXHAK-UHFFFAOYSA-N 0 1 257.255 2.693 20 30 CFEDMN C#C[C@@H](C)NCc1cc(Br)c(OC)s1 ZINC000289072981 197227187 /nfs/dbraw/zinc/22/71/87/197227187.db2.gz AKPWEHQICXVZLE-SSDOTTSWSA-N 0 1 274.183 2.631 20 30 CFEDMN CCC1(CO)CCN(Cc2cc(C#N)ccc2F)CC1 ZINC000270902305 385264019 /nfs/dbraw/zinc/26/40/19/385264019.db2.gz OQDLEPFSBCGWNW-UHFFFAOYSA-N 0 1 276.355 2.682 20 30 CFEDMN CC[C@@H]1CN(CC#Cc2ccc(C(F)(F)F)cc2)C[C@H]1O ZINC000270941989 385276439 /nfs/dbraw/zinc/27/64/39/385276439.db2.gz RRBAVZHIRXPEGB-UKRRQHHQSA-N 0 1 297.320 2.760 20 30 CFEDMN CO[C@@H]1CCN(Cc2ccc(C#N)s2)[C@@H](C)C1 ZINC000282357734 385292442 /nfs/dbraw/zinc/29/24/42/385292442.db2.gz POPAIWJYFGPLRS-WDEREUQCSA-N 0 1 250.367 2.619 20 30 CFEDMN C=C(C)[C@@H]1OCC[C@H]1CNC(=O)c1cccc2nc(C)[nH]c21 ZINC000282693483 385371460 /nfs/dbraw/zinc/37/14/60/385371460.db2.gz FGKUCAWFWUBVFG-LRDDRELGSA-N 0 1 299.374 2.582 20 30 CFEDMN C=CCN(CCc1ccco1)Cc1c(C)nn(C)c1C ZINC000272237618 385483357 /nfs/dbraw/zinc/48/33/57/385483357.db2.gz FVXXRMUNWCSQPF-UHFFFAOYSA-N 0 1 273.380 2.861 20 30 CFEDMN C=CCN(CCc1ccco1)Cc1ccc(OC)nc1 ZINC000272267630 385494471 /nfs/dbraw/zinc/49/44/71/385494471.db2.gz KZRUJAABLMLHHF-UHFFFAOYSA-N 0 1 272.348 2.914 20 30 CFEDMN CC1=CCN([C@H]2CCCN(c3ccc(C#N)cc3)C2=O)CC1 ZINC000272485078 385550656 /nfs/dbraw/zinc/55/06/56/385550656.db2.gz MLERWANUCIXMRX-KRWDZBQOSA-N 0 1 295.386 2.706 20 30 CFEDMN C=C1CCN(CCOc2ccccc2C(=O)OC)CC1 ZINC000272844635 385630994 /nfs/dbraw/zinc/63/09/94/385630994.db2.gz UIHGKWZRQOJZOV-UHFFFAOYSA-N 0 1 275.348 2.504 20 30 CFEDMN C=CCS(=O)(=O)CCN[C@@H](C)c1ccc(CC)s1 ZINC000272868711 385637122 /nfs/dbraw/zinc/63/71/22/385637122.db2.gz OGGFLZYVGNCZOT-NSHDSACASA-N 0 1 287.450 2.562 20 30 CFEDMN C#CCC(C)(C)C(=O)NC[C@H](c1ccsc1)N(C)C ZINC000274308158 385762509 /nfs/dbraw/zinc/76/25/09/385762509.db2.gz WLJMJRWVGVYSQA-CYBMUJFWSA-N 0 1 278.421 2.517 20 30 CFEDMN C#CCN(Cc1ccc2c(c1)COC(C)(C)O2)C1CC1 ZINC000274382432 385781957 /nfs/dbraw/zinc/78/19/57/385781957.db2.gz BCPHEZOGFDICTJ-UHFFFAOYSA-N 0 1 271.360 2.929 20 30 CFEDMN C#CCN(Cc1c[nH]nc1-c1ccccc1F)C1CC1 ZINC000274117297 385723074 /nfs/dbraw/zinc/72/30/74/385723074.db2.gz MMBYRGQNPGDJEE-UHFFFAOYSA-N 0 1 269.323 2.813 20 30 CFEDMN C=C(C)CN(CC)C(=O)CN[C@H](C)c1cnc(C)s1 ZINC000639993872 385811068 /nfs/dbraw/zinc/81/10/68/385811068.db2.gz FDVROFCRSCAPKK-LLVKDONJSA-N 0 1 281.425 2.527 20 30 CFEDMN CC[C@H](C)c1nc([C@@H](C)NC(=O)C#Cc2ccccc2)n[nH]1 ZINC000277102896 386130824 /nfs/dbraw/zinc/13/08/24/386130824.db2.gz QNVSVVUYYRZTBI-QWHCGFSZSA-N 0 1 296.374 2.547 20 30 CFEDMN C=CCN1CC[C@H](N[C@H](C)c2ccc(F)c(C)c2)C1=O ZINC000281210392 195150739 /nfs/dbraw/zinc/15/07/39/195150739.db2.gz NTDSIEMWVVQMFU-DOMZBBRYSA-N 0 1 276.355 2.572 20 30 CFEDMN C=C(CNC(=O)CN1CCC(C)CC1)c1ccccc1 ZINC000288196988 197024766 /nfs/dbraw/zinc/02/47/66/197024766.db2.gz NVDVRUXXGDFTAT-UHFFFAOYSA-N 0 1 272.392 2.548 20 30 CFEDMN C=CCOCCN[C@@H](c1ccccc1)c1ccccn1 ZINC000312406894 260005453 /nfs/dbraw/zinc/00/54/53/260005453.db2.gz MZWNUCOYKDZDHH-KRWDZBQOSA-N 0 1 268.360 2.963 20 30 CFEDMN C=CC[C@H](C)NC(=O)NC[C@H](c1ccco1)N(CC)CC ZINC000117040004 260019211 /nfs/dbraw/zinc/01/92/11/260019211.db2.gz DUQIVXHEQQEJRC-UONOGXRCSA-N 0 1 293.411 2.926 20 30 CFEDMN C=C(C)[C@H](NCCC(=O)NCC)c1ccc(F)c(F)c1 ZINC000187756202 260054785 /nfs/dbraw/zinc/05/47/85/260054785.db2.gz SPIRILHAHSHLKJ-HNNXBMFYSA-N 0 1 282.334 2.698 20 30 CFEDMN CC(C)n1cc(-c2nc3ccc(C#N)cc3[nH]2)cn1 ZINC000095442574 184986930 /nfs/dbraw/zinc/98/69/30/184986930.db2.gz VJSWADJCHMYKTD-UHFFFAOYSA-N 0 1 251.293 2.879 20 30 CFEDMN COc1cccc(CNCCCC#N)c1OC(C)C ZINC000344324098 533511514 /nfs/dbraw/zinc/51/15/14/533511514.db2.gz GAEQHMUNEMVVLP-UHFFFAOYSA-N 0 1 262.353 2.876 20 30 CFEDMN Cc1cc(C[N@@H+]2CCC[C@@H](C(=O)[O-])[C@H]2C)ccc1C#N ZINC000422630352 533601660 /nfs/dbraw/zinc/60/16/60/533601660.db2.gz BOXITSJNGVWWNY-IUODEOHRSA-N 0 1 272.348 2.552 20 30 CFEDMN Cc1n[nH]c(C(F)F)c1NC(=O)c1ccc(CC#N)cc1 ZINC000353571221 533671236 /nfs/dbraw/zinc/67/12/36/533671236.db2.gz YHHMJFRXYBESLW-UHFFFAOYSA-N 0 1 290.273 2.974 20 30 CFEDMN C=CCOCCNCc1nc2ccc(F)cc2s1 ZINC000683204536 542653671 /nfs/dbraw/zinc/65/36/71/542653671.db2.gz WMPKZPWSPNFSID-UHFFFAOYSA-N 0 1 266.341 2.728 20 30 CFEDMN CC(C)C(=O)NC[C@@H]1CCCN(Cc2ccccc2C#N)C1 ZINC000263780028 131329067 /nfs/dbraw/zinc/32/90/67/131329067.db2.gz VISZZKOOHURYSQ-HNNXBMFYSA-N 0 1 299.418 2.542 20 30 CFEDMN C[C@H](c1ccc(C#N)cc1)N(CCO)Cc1cccnc1 ZINC000268702444 132051965 /nfs/dbraw/zinc/05/19/65/132051965.db2.gz RQTWEBNFBPXTRX-CQSZACIVSA-N 0 1 281.359 2.509 20 30 CFEDMN Cc1nc(C2CC2)oc1C(=O)C(C#N)c1cc(C)nc(C)n1 ZINC000329511645 393540100 /nfs/dbraw/zinc/54/01/00/393540100.db2.gz KRMAHBRZFUGSIO-GFCCVEGCSA-N 0 1 296.330 2.757 20 30 CFEDMN CC[C@@H](O)CN1CCC[C@H]1[C@H](C#N)c1ccccc1 ZINC000304287975 393498617 /nfs/dbraw/zinc/49/86/17/393498617.db2.gz BEGOSZGAZVWFRQ-OAGGEKHMSA-N 0 1 258.365 2.529 20 30 CFEDMN COC[C@@H]1CCCCN1Cc1cccc(C#N)c1F ZINC000307766233 393514923 /nfs/dbraw/zinc/51/49/23/393514923.db2.gz RGKLYUCJEBWMTB-AWEZNQCLSA-N 0 1 262.328 2.698 20 30 CFEDMN C=C(C)CCN[C@@H](C)c1ncc(Br)cn1 ZINC000308936447 393516367 /nfs/dbraw/zinc/51/63/67/393516367.db2.gz OFXYKKYXLNIYOM-VIFPVBQESA-N 0 1 270.174 2.856 20 30 CFEDMN CCCCCNC(=O)[C@H](C)N[C@@H](C)c1ccc(C#N)cc1 ZINC000037502342 393532635 /nfs/dbraw/zinc/53/26/35/393532635.db2.gz DBPTYQIKMUQBCZ-KBPBESRZSA-N 0 1 287.407 2.904 20 30 CFEDMN CC(C)[C@@H]1C[C@H](CC(=O)N[C@@H](C)c2nnc[nH]2)CCO1 ZINC000329438706 393534850 /nfs/dbraw/zinc/53/48/50/393534850.db2.gz JNURSZOHFLXIDZ-TUAOUCFPSA-N 0 1 280.372 2.664 20 30 CFEDMN Cc1cccn2cc(CN[C@H]3CCC[C@@H](C#N)C3)nc12 ZINC000185885901 393537760 /nfs/dbraw/zinc/53/77/60/393537760.db2.gz WZFDIQRYHRZQCC-KGLIPLIRSA-N 0 1 268.364 2.815 20 30 CFEDMN Cc1csc(C(C#N)C(=O)c2cccc(F)c2C#N)n1 ZINC000188646758 393565649 /nfs/dbraw/zinc/56/56/49/393565649.db2.gz MMNJJXDXAPVRIX-LLVKDONJSA-N 0 1 285.303 2.952 20 30 CFEDMN C[C@H]1C[C@@H](C(C)(C)C)CCN1CC(=O)NC1(C#N)CCC1 ZINC000332487118 393561596 /nfs/dbraw/zinc/56/15/96/393561596.db2.gz QVRGOAPPUXNVCB-KBPBESRZSA-N 0 1 291.439 2.695 20 30 CFEDMN C=C(C)CN(CC)CC(=O)N(C)Cc1cccc(OC)c1 ZINC000048617294 393589715 /nfs/dbraw/zinc/58/97/15/393589715.db2.gz YMEHPPKNGQNDSB-UHFFFAOYSA-N 0 1 290.407 2.552 20 30 CFEDMN N#Cc1ccc(N2CCN(CC3CC3)CC2)c(Cl)c1 ZINC000062793737 393628701 /nfs/dbraw/zinc/62/87/01/393628701.db2.gz YKVWAZQSLITIDW-UHFFFAOYSA-N 0 1 275.783 2.744 20 30 CFEDMN CC[C@@H](CC(F)F)C(=O)N=c1[nH]n(C(C)(C)C)cc1C#N ZINC000410542793 393629456 /nfs/dbraw/zinc/62/94/56/393629456.db2.gz WAMUOPRJCWZCCQ-VIFPVBQESA-N 0 1 298.337 2.552 20 30 CFEDMN C=C[C@@H]1CCCCN1C(=O)c1cc2[nH]cnc2cc1F ZINC000335090723 393640954 /nfs/dbraw/zinc/64/09/54/393640954.db2.gz KZJFDTDZNZOBJP-SNVBAGLBSA-N 0 1 273.311 2.883 20 30 CFEDMN CC(C)(C)N1CC[C@@H](N[C@@H]2CCc3ccc(C#N)cc32)C1=O ZINC000335405061 393666808 /nfs/dbraw/zinc/66/68/08/393666808.db2.gz CCUMQUFIYLFLJE-HZPDHXFCSA-N 0 1 297.402 2.535 20 30 CFEDMN CSCCCCCNCc1nc(C#N)cs1 ZINC000336700201 393746413 /nfs/dbraw/zinc/74/64/13/393746413.db2.gz NINHSGNNGCHJIK-UHFFFAOYSA-N 0 1 255.412 2.638 20 30 CFEDMN O[C@@H]1C[C@H](c2ccccc2)N(CC#Cc2ccc(F)cc2)C1 ZINC000411951104 393758838 /nfs/dbraw/zinc/75/88/38/393758838.db2.gz RPJGZCOMLYIDJG-RTBURBONSA-N 0 1 295.357 2.985 20 30 CFEDMN Cc1cc([C@@H]2CCCN(c3ccc(C#N)cc3)C2)[nH]n1 ZINC000336167679 393720944 /nfs/dbraw/zinc/72/09/44/393720944.db2.gz OYQJNLQCNSWDPK-CQSZACIVSA-N 0 1 266.348 2.974 20 30 CFEDMN CCc1onc(C)c1NC(=O)c1c(F)cc(C#N)cc1F ZINC000089396894 393766534 /nfs/dbraw/zinc/76/65/34/393766534.db2.gz SWOZFQGCUIECRD-UHFFFAOYSA-N 0 1 291.257 2.948 20 30 CFEDMN CN(CCC#N)C(=O)Nc1ccc2nc(C(F)F)[nH]c2c1 ZINC000093351334 393797221 /nfs/dbraw/zinc/79/72/21/393797221.db2.gz NFGCUVJAQZGRGC-UHFFFAOYSA-N 0 1 293.277 2.878 20 30 CFEDMN CCO[C@@H]1C[C@@H](N(C)Cc2ccc(C#N)o2)C1(C)C ZINC000093605219 393802458 /nfs/dbraw/zinc/80/24/58/393802458.db2.gz ILDMTDZFOZKQBI-ZIAGYGMSSA-N 0 1 262.353 2.787 20 30 CFEDMN C=C(C)CN(C)Cc1c(C)nn(-c2ccccn2)c1C ZINC000338935082 393806160 /nfs/dbraw/zinc/80/61/60/393806160.db2.gz ICVAKOLDXMSODW-UHFFFAOYSA-N 0 1 270.380 2.892 20 30 CFEDMN C=C(C)CN(CC)CC(=O)N1CCC[C@@H](C(F)(F)F)C1 ZINC000114712340 393901441 /nfs/dbraw/zinc/90/14/41/393901441.db2.gz KOCSRGVHELRGRE-GFCCVEGCSA-N 0 1 292.345 2.685 20 30 CFEDMN C=CCCCN(C)Cc1nc(-c2cccnc2)no1 ZINC000121078245 393947760 /nfs/dbraw/zinc/94/77/60/393947760.db2.gz YZHPEMCTJDDBSX-UHFFFAOYSA-N 0 1 258.325 2.530 20 30 CFEDMN C=CCCN(C)C(=O)c1cnc(-c2ccccc2)[nH]1 ZINC000349318111 393967457 /nfs/dbraw/zinc/96/74/57/393967457.db2.gz FPNOJCFZFAUHPL-UHFFFAOYSA-N 0 1 255.321 2.725 20 30 CFEDMN N#Cc1cc(NC(=O)c2c(O)cccc2F)ccc1F ZINC000123115966 393976287 /nfs/dbraw/zinc/97/62/87/393976287.db2.gz JLQXWZANCZKABY-UHFFFAOYSA-N 0 1 274.226 2.794 20 30 CFEDMN CN(C)c1cccc(CNCc2ccc(C#N)o2)c1 ZINC000266229305 393980264 /nfs/dbraw/zinc/98/02/64/393980264.db2.gz UBXVLCZMRLPXRW-UHFFFAOYSA-N 0 1 255.321 2.507 20 30 CFEDMN Cc1cscc1CNCc1cnc2ccc(C#N)cn12 ZINC000487178970 393987536 /nfs/dbraw/zinc/98/75/36/393987536.db2.gz HKJLVYJAGSOXRV-UHFFFAOYSA-N 0 1 282.372 2.866 20 30 CFEDMN C=C(C)CN(CC)C(=O)[C@@H](C)N1CCC(F)(F)[C@H](C)C1 ZINC000352037469 394010323 /nfs/dbraw/zinc/01/03/23/394010323.db2.gz VPZXTBBPUXBYOO-CHWSQXEVSA-N 0 1 288.382 2.777 20 30 CFEDMN CC(=Cc1cc(C)c(O)c(C)c1)c1nc(C)c(C#N)c(=O)[nH]1 ZINC000436968651 394039448 /nfs/dbraw/zinc/03/94/48/394039448.db2.gz UYMABKYNGXROBA-YRNVUSSQSA-N 0 1 295.342 2.833 20 30 CFEDMN C#C[C@H](C)N(C)C(=O)c1cc(-c2ccccc2Cl)[nH]n1 ZINC000491255792 394047334 /nfs/dbraw/zinc/04/73/34/394047334.db2.gz YAMULOXMIUAJAP-JTQLQIEISA-N 0 1 287.750 2.824 20 30 CFEDMN C#CCN1CCC(C(=O)OC[C@H]2CCCCC2(F)F)CC1 ZINC000491619459 394054400 /nfs/dbraw/zinc/05/44/00/394054400.db2.gz BBOBYNLXMVSGLN-CQSZACIVSA-N 0 1 299.361 2.700 20 30 CFEDMN C=CCSc1nc(-c2ccc3c(c2)OCCO3)n[nH]1 ZINC000355267743 394062273 /nfs/dbraw/zinc/06/22/73/394062273.db2.gz RNKVWWDOAAVAEC-UHFFFAOYSA-N 0 1 275.333 2.521 20 30 CFEDMN C[C@@H](CCC#N)N1CCc2c(cccc2N2CCOC2=O)C1 ZINC000492797323 394076664 /nfs/dbraw/zinc/07/66/64/394076664.db2.gz YEHGJCLKOMGGNK-ZDUSSCGKSA-N 0 1 299.374 2.694 20 30 CFEDMN CCOC(=O)CC1CCN(Cc2ccccc2C#N)CC1 ZINC000130259159 394107308 /nfs/dbraw/zinc/10/73/08/394107308.db2.gz MFFBYWIFWHITPQ-UHFFFAOYSA-N 0 1 286.375 2.723 20 30 CFEDMN C=CCN1CC[C@H](N2CC=C(c3cccc(C)c3)CC2)C1=O ZINC000282078931 394121009 /nfs/dbraw/zinc/12/10/09/394121009.db2.gz UGYMUKPTCDLHLM-SFHVURJKSA-N 0 1 296.414 2.871 20 30 CFEDMN C=CCN1CC[C@H](N2CCC[C@H]2c2ccc(F)cc2)C1=O ZINC000282101643 394121828 /nfs/dbraw/zinc/12/18/28/394121828.db2.gz WDHULNAEOFGIBI-HOTGVXAUSA-N 0 1 288.366 2.750 20 30 CFEDMN C=C(C)CN(CC)C(=O)C[N@@H+](CCC)C[C@@H]1CCCCO1 ZINC000359157973 394126144 /nfs/dbraw/zinc/12/61/44/394126144.db2.gz LVUJEIKNSFRLLK-INIZCTEOSA-N 0 1 296.455 2.692 20 30 CFEDMN C=C(C)CN(CC)C(=O)CN(CCC)C[C@@H]1CCCCO1 ZINC000359157973 394126150 /nfs/dbraw/zinc/12/61/50/394126150.db2.gz LVUJEIKNSFRLLK-INIZCTEOSA-N 0 1 296.455 2.692 20 30 CFEDMN C=C(Br)CN[C@H]1CCN(C)[C@H]1c1ccccc1 ZINC000284236835 394135496 /nfs/dbraw/zinc/13/54/96/394135496.db2.gz KPYGWWLCPRVSAZ-KBPBESRZSA-N 0 1 295.224 2.930 20 30 CFEDMN CC[C@](C)(C#N)C(=O)N1CCC[N@@H+](Cc2ccccc2)CC1 ZINC000285426166 394143182 /nfs/dbraw/zinc/14/31/82/394143182.db2.gz LICICQWLTZMZDQ-GOSISDBHSA-N 0 1 299.418 2.661 20 30 CFEDMN CC[C@](C)(C#N)C(=O)N1CCCN(Cc2ccccc2)CC1 ZINC000285426166 394143186 /nfs/dbraw/zinc/14/31/86/394143186.db2.gz LICICQWLTZMZDQ-GOSISDBHSA-N 0 1 299.418 2.661 20 30 CFEDMN Cc1cc2[nH]ncc2cc1NC(=O)c1ccc(C#N)cc1 ZINC000360426160 394151653 /nfs/dbraw/zinc/15/16/53/394151653.db2.gz DZQYTDJPBIVOBI-UHFFFAOYSA-N 0 1 276.299 2.995 20 30 CFEDMN C=C[C@@H](CC(=O)N[C@H](C)c1n[nH]c(C)n1)c1ccccc1 ZINC000286534389 394197736 /nfs/dbraw/zinc/19/77/36/394197736.db2.gz YTSKXZPIVOMPRA-YPMHNXCESA-N 0 1 284.363 2.650 20 30 CFEDMN COc1ccc(CN(C)Cc2cccn2C)cc1C#N ZINC000135152267 394212054 /nfs/dbraw/zinc/21/20/54/394212054.db2.gz CCVMMPQNNIJNPL-UHFFFAOYSA-N 0 1 269.348 2.537 20 30 CFEDMN COc1cccc(CNCc2ccc(C#N)s2)c1 ZINC000135671266 394225360 /nfs/dbraw/zinc/22/53/60/394225360.db2.gz VWYMNIIBHZQXGM-UHFFFAOYSA-N 0 1 258.346 2.918 20 30 CFEDMN CC(C)(C)c1n[nH]cc1CNCc1ccc(C#N)s1 ZINC000421351233 394195620 /nfs/dbraw/zinc/19/56/20/394195620.db2.gz MALIUGIVKUHZPC-UHFFFAOYSA-N 0 1 274.393 2.930 20 30 CFEDMN Cc1cc([C@H]2CCCN(c3nccc(C)c3C#N)C2)[nH]n1 ZINC000368200444 394270388 /nfs/dbraw/zinc/27/03/88/394270388.db2.gz PFPDEAWUTVOMMU-ZDUSSCGKSA-N 0 1 281.363 2.677 20 30 CFEDMN C=CCN(CCOCC1CC1)Cc1cccc(C#N)c1 ZINC000159750011 394365770 /nfs/dbraw/zinc/36/57/70/394365770.db2.gz ZVVNHSSLTGFIGI-UHFFFAOYSA-N 0 1 270.376 2.973 20 30 CFEDMN CN(CCCSCC#N)Cc1ccccc1[N+](=O)[O-] ZINC000173859807 394377015 /nfs/dbraw/zinc/37/70/15/394377015.db2.gz JNPIJIIPZFZJIH-UHFFFAOYSA-N 0 1 279.365 2.673 20 30 CFEDMN N#CCCCCNC(=O)[C@@H]1CCCCN1Cc1ccccc1 ZINC000174624615 394379198 /nfs/dbraw/zinc/37/91/98/394379198.db2.gz BKJXPPMNSDRVLQ-KRWDZBQOSA-N 0 1 299.418 2.851 20 30 CFEDMN CC(C)(C#N)CCCN1CCN(Cc2ccccn2)CC1 ZINC000174812978 394379920 /nfs/dbraw/zinc/37/99/20/394379920.db2.gz QSBWMPWNLNHCKK-UHFFFAOYSA-N 0 1 286.423 2.529 20 30 CFEDMN C#Cc1cccc(NC(=O)CN(C)CCCC(C)(C)C#N)c1 ZINC000174823558 394380037 /nfs/dbraw/zinc/38/00/37/394380037.db2.gz PGLQUOFYULJIHJ-UHFFFAOYSA-N 0 1 297.402 2.868 20 30 CFEDMN C[C@@H]1CCN(Cc2ccc(C#N)cc2[N+](=O)[O-])C[C@H]1C ZINC000520588789 394380938 /nfs/dbraw/zinc/38/09/38/394380938.db2.gz YDJDLRRATVTYBV-VXGBXAGGSA-N 0 1 273.336 2.944 20 30 CFEDMN N#Cc1[n-]c(=NC[C@@H]2CC[N@H+]2C2CCCC2)sc1Cl ZINC000528207326 394402610 /nfs/dbraw/zinc/40/26/10/394402610.db2.gz CDHSHQIOAUAZQK-JTQLQIEISA-N 0 1 296.827 2.519 20 30 CFEDMN CC[C@@H]1CCCN1Cc1cccc(C(=O)OC)c1C#N ZINC000535964914 394550696 /nfs/dbraw/zinc/55/06/96/394550696.db2.gz USZLRCUQFOATKA-CYBMUJFWSA-N 0 1 272.348 2.719 20 30 CFEDMN COC(=O)c1cccc(CN2CCC[C@H]2C(C)C)c1C#N ZINC000535979681 394550760 /nfs/dbraw/zinc/55/07/60/394550760.db2.gz BCFLFOXGTXDLDX-INIZCTEOSA-N 0 1 286.375 2.965 20 30 CFEDMN C[C@H](O)C[C@@H](CNC[C@H](C#N)CCC#N)c1ccccc1 ZINC000574749839 395089900 /nfs/dbraw/zinc/08/99/00/395089900.db2.gz BYRSAZWWCPBIRO-ZOBUZTSGSA-N 0 1 285.391 2.574 20 30 CFEDMN C=CCC(C)(C)CNC(=O)c1[nH]nc2c1CCCC2 ZINC000647121140 395165017 /nfs/dbraw/zinc/16/50/17/395165017.db2.gz AKYRDQARLJRVBT-UHFFFAOYSA-N 0 1 261.369 2.621 20 30 CFEDMN Cn1ccc(C(=O)[C@H](C#N)c2nc(C3CC3)cs2)c1 ZINC000647378221 395320520 /nfs/dbraw/zinc/32/05/20/395320520.db2.gz FTIPNJFYQZWHSI-NSHDSACASA-N 0 1 271.345 2.849 20 30 CFEDMN Cn1ccc(C(=O)C(C#N)c2nc(C3CC3)cs2)c1 ZINC000647378221 395320524 /nfs/dbraw/zinc/32/05/24/395320524.db2.gz FTIPNJFYQZWHSI-NSHDSACASA-N 0 1 271.345 2.849 20 30 CFEDMN C=CC1CCN(C(=O)[C@@H](N)c2cccc(Cl)c2)CC1 ZINC000648080688 395500082 /nfs/dbraw/zinc/50/00/82/395500082.db2.gz SCGGVTFYOOYBJN-AWEZNQCLSA-N 0 1 278.783 2.764 20 30 CFEDMN C=C(C)CN(CC)C(=O)[C@@H](C)N1CCC[C@H](OC(C)C)C1 ZINC000649699190 395554653 /nfs/dbraw/zinc/55/46/53/395554653.db2.gz KTCMGOCPWUISEU-CVEARBPZSA-N 0 1 296.455 2.689 20 30 CFEDMN C=CCNC(=O)[C@@H](C)N[C@@H](CC)c1ccccc1F ZINC000649738659 395563942 /nfs/dbraw/zinc/56/39/42/395563942.db2.gz PZMJHMKQAHQWDZ-RISCZKNCSA-N 0 1 264.344 2.557 20 30 CFEDMN C=CCN(Cc1ccccc1F)C(=O)CCc1cnc[nH]1 ZINC000189205527 543068080 /nfs/dbraw/zinc/06/80/80/543068080.db2.gz YDBUTYBCXZZSFS-UHFFFAOYSA-N 0 1 287.338 2.696 20 30 CFEDMN C#C[C@@H](NC(=O)c1c(C)n[nH]c1C(C)C)C(C)(C)C ZINC000491642779 397581479 /nfs/dbraw/zinc/58/14/79/397581479.db2.gz YJWFJFFWIXSSKT-LLVKDONJSA-N 0 1 261.369 2.619 20 30 CFEDMN O=C(NC1CCC2(CC2)CC1)[C@H]1CCc2[nH]nnc2C1 ZINC000329150674 397647328 /nfs/dbraw/zinc/64/73/28/397647328.db2.gz ZSAQFSSDPADTTJ-JTQLQIEISA-N 0 1 274.368 2.589 20 30 CFEDMN O=C(NC1CCC2(CC2)CC1)[C@H]1CCc2nn[nH]c2C1 ZINC000329150674 397647332 /nfs/dbraw/zinc/64/73/32/397647332.db2.gz ZSAQFSSDPADTTJ-JTQLQIEISA-N 0 1 274.368 2.589 20 30 CFEDMN Cn1cc(CNCc2ccc(C#N)cc2C(F)(F)F)cn1 ZINC000352854658 397658639 /nfs/dbraw/zinc/65/86/39/397658639.db2.gz REFALYOVOUYNAN-UHFFFAOYSA-N 0 1 294.280 2.600 20 30 CFEDMN CCC#C[C@H](C)N1CCN(CC(F)(F)F)C[C@H](C)C1 ZINC000650201842 397727614 /nfs/dbraw/zinc/72/76/14/397727614.db2.gz ZPRIXVKICKQSRF-STQMWFEESA-N 0 1 276.346 2.604 20 30 CFEDMN C=CCCC[N@H+]1C[C@H](C(=O)[O-])C[C@H](C(F)(F)F)C1 ZINC000656757092 413187922 /nfs/dbraw/zinc/18/79/22/413187922.db2.gz LLIDNNNVQWVLCR-ZJUUUORDSA-N 0 1 265.275 2.538 20 30 CFEDMN C=CC[C@H]1CCC[N@H+](Cc2nc(C(=O)[O-])cs2)C1 ZINC000656759667 413190311 /nfs/dbraw/zinc/19/03/11/413190311.db2.gz JDLVNOOTENKOFG-JTQLQIEISA-N 0 1 266.366 2.629 20 30 CFEDMN C=CC[C@H]1CCC[N@H+](Cc2ccc(C(=O)[O-])cn2)C1 ZINC000656760503 413191059 /nfs/dbraw/zinc/19/10/59/413191059.db2.gz VQNQOPSYNPSBAO-LBPRGKRZSA-N 0 1 260.337 2.568 20 30 CFEDMN Cc1nsc(NCCc2ccc3cn[nH]c3c2)c1C#N ZINC000343052151 154097304 /nfs/dbraw/zinc/09/73/04/154097304.db2.gz OEXGBOSPVGUJRD-UHFFFAOYSA-N 0 1 283.360 2.854 20 30 CFEDMN CC[C@@H](CO)N(C)Cc1ccc(Br)cc1C#N ZINC000345824871 154275703 /nfs/dbraw/zinc/27/57/03/154275703.db2.gz DETDWGAICRULER-ZDUSSCGKSA-N 0 1 297.196 2.523 20 30 CFEDMN CCOC(=O)C1CCN(Cc2ccc(C#N)c(C)c2)CC1 ZINC000362953001 156124621 /nfs/dbraw/zinc/12/46/21/156124621.db2.gz WQEXGPPBDGTRDP-UHFFFAOYSA-N 0 1 286.375 2.642 20 30 CFEDMN Cc1c([C@@H]2CCCN2Cc2cccc(C#N)c2)cnn1C ZINC000367256237 156303926 /nfs/dbraw/zinc/30/39/26/156303926.db2.gz UIIBPPVRWDHCTR-KRWDZBQOSA-N 0 1 280.375 2.937 20 30 CFEDMN C=C(C)CN(CC)Cc1ccc(OCC(F)(F)F)nn1 ZINC000653488620 413330004 /nfs/dbraw/zinc/33/00/04/413330004.db2.gz DGGMXDHXOQMUKQ-UHFFFAOYSA-N 0 1 289.301 2.816 20 30 CFEDMN Cc1cc([C@H]2CCCN2C[C@@H](O)c2ccc(C#N)cc2)no1 ZINC000370570674 156700809 /nfs/dbraw/zinc/70/08/09/156700809.db2.gz VJXUQQMZWFVSKX-IAGOWNOFSA-N 0 1 297.358 2.725 20 30 CFEDMN N#Cc1cccc(NC(=O)CN2C[C@H]3CCCCC[C@@H]32)c1 ZINC000374552145 157128521 /nfs/dbraw/zinc/12/85/21/157128521.db2.gz YXBLGBYOMZFHNO-ZBFHGGJFSA-N 0 1 283.375 2.761 20 30 CFEDMN N#Cc1ccc2ncc(CN[C@@H]3CCCc4occc43)n2c1 ZINC000375292836 157220153 /nfs/dbraw/zinc/22/01/53/157220153.db2.gz NRKANYOJKRBOFW-OAHLLOKOSA-N 0 1 292.342 2.966 20 30 CFEDMN C=CCCn1cc(CN2CCC[C@H](CCC)C2)nn1 ZINC000653568572 413372818 /nfs/dbraw/zinc/37/28/18/413372818.db2.gz CCXDQKUDOLDGPH-AWEZNQCLSA-N 0 1 262.401 2.866 20 30 CFEDMN C[C@H]1CCCc2[nH+]cc(C([O-])=C(C#N)c3ccccn3)n21 ZINC000651263356 413386677 /nfs/dbraw/zinc/38/66/77/413386677.db2.gz LMAPSJAEBYLQJD-NWDGAFQWSA-N 0 1 280.331 2.665 20 30 CFEDMN C=CCCn1cc(CN[C@@H]2CCCO[C@H]2CC(C)C)nn1 ZINC000653622477 413409705 /nfs/dbraw/zinc/40/97/05/413409705.db2.gz FULNRSSZNUYAOR-CVEARBPZSA-N 0 1 292.427 2.538 20 30 CFEDMN Cc1ccsc1[C@H](CO)NCc1cccc(C#N)c1 ZINC000344707087 162102247 /nfs/dbraw/zinc/10/22/47/162102247.db2.gz ZBSINQYOLXPZLT-AWEZNQCLSA-N 0 1 272.373 2.751 20 30 CFEDMN CC(C)[C@H]1CN(CCCOc2cccc(C#N)c2)CCO1 ZINC000351246435 163122556 /nfs/dbraw/zinc/12/25/56/163122556.db2.gz CWQYTTFWHDHBEW-QGZVFWFLSA-N 0 1 288.391 2.684 20 30 CFEDMN CCc1ccc(CCNCc2nc(C#N)cs2)cc1 ZINC000352811481 163239262 /nfs/dbraw/zinc/23/92/62/163239262.db2.gz SFPLCOUFBGUYJS-UHFFFAOYSA-N 0 1 271.389 2.909 20 30 CFEDMN CC(C)(C)[C@H]1C[C@H](NCc2nc(C#N)cs2)CCO1 ZINC000352811292 163239442 /nfs/dbraw/zinc/23/94/42/163239442.db2.gz RPXWFTVABMVDBT-ZYHUDNBSSA-N 0 1 279.409 2.698 20 30 CFEDMN Cc1ccccc1OCCCNCc1nc(C#N)cs1 ZINC000352825429 163243752 /nfs/dbraw/zinc/24/37/52/163243752.db2.gz SOQXCKVYZWILTQ-UHFFFAOYSA-N 0 1 287.388 2.882 20 30 CFEDMN CCC(CC)[C@H](CCNCc1nc(C#N)cs1)OC ZINC000352829336 163245890 /nfs/dbraw/zinc/24/58/90/163245890.db2.gz ARPFCAOEOIVCIN-ZDUSSCGKSA-N 0 1 281.425 2.946 20 30 CFEDMN N#Cc1csc(CN[C@H]2CCCC[C@@H]2OC(F)F)n1 ZINC000352864216 163255357 /nfs/dbraw/zinc/25/53/57/163255357.db2.gz ZDXLNKJZIBZOKC-UWVGGRQHSA-N 0 1 287.335 2.655 20 30 CFEDMN N#Cc1csc(CNCCCc2ccccc2F)n1 ZINC000352887050 163261278 /nfs/dbraw/zinc/26/12/78/163261278.db2.gz FVVAAIDILRRZMZ-UHFFFAOYSA-N 0 1 275.352 2.876 20 30 CFEDMN C[C@@H](NCCSCc1ccccc1C#N)c1ncc[nH]1 ZINC000353386381 163355438 /nfs/dbraw/zinc/35/54/38/163355438.db2.gz MDRGPYGOUYWNPE-GFCCVEGCSA-N 0 1 286.404 2.865 20 30 CFEDMN N#Cc1c(CN2CCC[C@@H]2[C@@H]2CCCO2)cn2ccccc12 ZINC000284781273 196130725 /nfs/dbraw/zinc/13/07/25/196130725.db2.gz NJOSTUTWTQPLAN-MSOLQXFVSA-N 0 1 295.386 2.954 20 30 CFEDMN C=CCCn1cc(CN2CCCc3ccccc3CC2)nn1 ZINC000653750190 413476094 /nfs/dbraw/zinc/47/60/94/413476094.db2.gz VDTDPLFMGINYGD-UHFFFAOYSA-N 0 1 296.418 2.845 20 30 CFEDMN C=CCCn1cc(CNCCc2cc3ccccc3o2)nn1 ZINC000657369825 413510467 /nfs/dbraw/zinc/51/04/67/413510467.db2.gz GRQQJCBBYHJXOE-UHFFFAOYSA-N 0 1 296.374 2.933 20 30 CFEDMN COCC#CCNC1(c2cccc(OC(F)(F)F)c2)CC1 ZINC000653848045 413535360 /nfs/dbraw/zinc/53/53/60/413535360.db2.gz OQYXBFBZBLSSCS-UHFFFAOYSA-N 0 1 299.292 2.814 20 30 CFEDMN C=CCCn1cc(CN[C@H]2CCO[C@H](C(C)(C)C)C2)nn1 ZINC000657422315 413581162 /nfs/dbraw/zinc/58/11/62/413581162.db2.gz ODCJWBLSMAHFJZ-ZFWWWQNUSA-N 0 1 292.427 2.538 20 30 CFEDMN C=CCCn1cc(CN[C@@H]2CCO[C@@H](C(C)(C)C)C2)nn1 ZINC000657422313 413582824 /nfs/dbraw/zinc/58/28/24/413582824.db2.gz ODCJWBLSMAHFJZ-UKRRQHHQSA-N 0 1 292.427 2.538 20 30 CFEDMN C=C1C[C@H]2CC[C@@H](C1)N2C(=O)N[C@H](C)Cc1cc(C)[nH]n1 ZINC000660930203 413672599 /nfs/dbraw/zinc/67/25/99/413672599.db2.gz KPJQTKFUOCTKIU-DFBGVHRSSA-N 0 1 288.395 2.542 20 30 CFEDMN C=CCN(Cc1cccc(OCC)n1)[C@H](C)COC ZINC000661240694 413842036 /nfs/dbraw/zinc/84/20/36/413842036.db2.gz QDNMQDNKAGBEIR-CYBMUJFWSA-N 0 1 264.369 2.503 20 30 CFEDMN C=CC[C@@H]1CCCN(CC(=O)NCc2sccc2C)C1 ZINC000661379592 413942611 /nfs/dbraw/zinc/94/26/11/413942611.db2.gz DNQPVJCDHQTMKF-CQSZACIVSA-N 0 1 292.448 2.961 20 30 CFEDMN C=CC[C@H]1CCCN([C@@H](C)c2nc(COC)no2)C1 ZINC000661383519 413944406 /nfs/dbraw/zinc/94/44/06/413944406.db2.gz DLGAVIYKINOJKC-RYUDHWBXSA-N 0 1 265.357 2.565 20 30 CFEDMN C#CCN(Cc1ccccc1)C[C@H]1CC2(CCC2)C(=O)O1 ZINC000285560621 196327331 /nfs/dbraw/zinc/32/73/31/196327331.db2.gz HCRNMYFRIDGYAV-MRXNPFEDSA-N 0 1 283.371 2.608 20 30 CFEDMN C#CCCCCC(=O)N(C)CCCN(C)Cc1ccco1 ZINC000285620338 196346942 /nfs/dbraw/zinc/34/69/42/196346942.db2.gz APHZSFJGNMVJOS-UHFFFAOYSA-N 0 1 290.407 2.754 20 30 CFEDMN C=CCN1CC[C@H](N[C@H](c2ccccc2F)C(C)C)C1=O ZINC000661482760 413999513 /nfs/dbraw/zinc/99/95/13/413999513.db2.gz COUHAXMNKCTQPE-HOTGVXAUSA-N 0 1 290.382 2.899 20 30 CFEDMN C[C@@H]1CN(CC#Cc2cccc(Cl)c2)C[C@@H](C)C1O ZINC000661623645 414088532 /nfs/dbraw/zinc/08/85/32/414088532.db2.gz GYTFFYMQCWTPHH-CHWSQXEVSA-N 0 1 277.795 2.640 20 30 CFEDMN C=CCCN[C@H](c1ccn(C)n1)c1ccc(F)cc1 ZINC000658114882 414213905 /nfs/dbraw/zinc/21/39/05/414213905.db2.gz RUSROMLDKSARLZ-HNNXBMFYSA-N 0 1 259.328 2.814 20 30 CFEDMN C[C@@H]1CCN(CC#Cc2ccc(F)cc2)C[C@H](C)O1 ZINC000661857009 414263525 /nfs/dbraw/zinc/26/35/25/414263525.db2.gz KYCNSZXVHHGVLH-KGLIPLIRSA-N 0 1 261.340 2.677 20 30 CFEDMN C=C[C@](C)(O)C(=O)Nc1ccc2nc(C(C)(C)C)[nH]c2c1 ZINC000665767123 414441460 /nfs/dbraw/zinc/44/14/60/414441460.db2.gz AOJIRDMBYFLQQC-INIZCTEOSA-N 0 1 287.363 2.736 20 30 CFEDMN C=CCN1CC[C@H](N[C@@]2(c3ccccc3)CC2(C)C)C1=O ZINC000662341197 414511365 /nfs/dbraw/zinc/51/13/65/414511365.db2.gz QSZMMIQFONOJEV-MAUKXSAKSA-N 0 1 284.403 2.688 20 30 CFEDMN C=CC[C@@H]1CCCC[C@H]1NC(=O)c1coc(CN)c1 ZINC000662601407 414570727 /nfs/dbraw/zinc/57/07/27/414570727.db2.gz LIQAEOAENKBBCH-BXUZGUMPSA-N 0 1 262.353 2.603 20 30 CFEDMN C=CCN(C[C@@H]1CCCCC1(C)C)[C@H]1CCS(=O)(=O)C1 ZINC000660069850 414657841 /nfs/dbraw/zinc/65/78/41/414657841.db2.gz MAUKIZKHDASGMD-GJZGRUSLSA-N 0 1 299.480 2.878 20 30 CFEDMN C[C@@H](N[C@@H](C)c1cnn(C)c1)c1ccc(C#N)cc1 ZINC000044496896 175184018 /nfs/dbraw/zinc/18/40/18/175184018.db2.gz BVDNUDYFHCNJRS-NEPJUHHUSA-N 0 1 254.337 2.704 20 30 CFEDMN CC(C)CCOCCNCc1ccc(C#N)cc1F ZINC000045106935 175308043 /nfs/dbraw/zinc/30/80/43/175308043.db2.gz FPWFUKMRVAICJN-UHFFFAOYSA-N 0 1 264.344 2.850 20 30 CFEDMN CN(Cc1cccc(C#N)c1)C(=O)c1cccc2c[nH]nc21 ZINC000045246448 175336412 /nfs/dbraw/zinc/33/64/12/175336412.db2.gz NQRBLOCNCSSEEP-UHFFFAOYSA-N 0 1 290.326 2.707 20 30 CFEDMN Cc1nn2c(CNCCCC#N)c(C(C)C)nc2s1 ZINC000344324876 225047362 /nfs/dbraw/zinc/04/73/62/225047362.db2.gz LDRPUGOOLZTQNM-UHFFFAOYSA-N 0 1 277.397 2.616 20 30 CFEDMN N#CCCCN(Cc1cccs1)[C@@H]1C=C[C@@H](CO)C1 ZINC000347321890 226131993 /nfs/dbraw/zinc/13/19/93/226131993.db2.gz AUQSBFAXQUUYRW-ZIAGYGMSSA-N 0 1 276.405 2.791 20 30 CFEDMN Cc1n[nH]c(CCNC(=O)CCC2CCCC2)n1 ZINC000329128109 227315986 /nfs/dbraw/zinc/31/59/86/227315986.db2.gz VFOPPMKEPUJPDC-UHFFFAOYSA-N 0 1 250.346 2.583 20 30 CFEDMN O=C(NCCC1(O)CCC1)[C@@H]1CCC[N@H+]1C1CCCC1 ZINC000329151256 227329982 /nfs/dbraw/zinc/32/99/82/227329982.db2.gz SHPXPIZVWPYULC-AWEZNQCLSA-N 0 1 280.412 2.655 20 30 CFEDMN Cc1cc(C[C@H](C)NC(=O)[C@H]2CCc3cccnc32)n[nH]1 ZINC000329183290 227342864 /nfs/dbraw/zinc/34/28/64/227342864.db2.gz FNDIMDOOENTRGB-HZMBPMFUSA-N 0 1 284.363 2.731 20 30 CFEDMN O=C(NCC1(CCO)CCCC1)[C@H]1CCCN1C1CC1 ZINC000330220328 228070456 /nfs/dbraw/zinc/07/04/56/228070456.db2.gz KTWLWJFKYLEIHI-CQSZACIVSA-N 0 1 280.412 2.513 20 30 CFEDMN O=C(Nc1cccc(-c2nc[nH]n2)c1)[C@@H]1CCCN1C1CC1 ZINC000330227294 228072848 /nfs/dbraw/zinc/07/28/48/228072848.db2.gz PECIJAHGSZLGNI-AWEZNQCLSA-N 0 1 297.362 2.687 20 30 CFEDMN CCn1cc(-c2[nH]ncc2C(=O)NC2CCCCC2)cn1 ZINC000330228551 228073074 /nfs/dbraw/zinc/07/30/74/228073074.db2.gz PQTWMLQZMIPVCR-UHFFFAOYSA-N 0 1 287.367 2.930 20 30 CFEDMN C[C@H](C(=O)N1CCc2ccccc21)N1CCC(CC#N)CC1 ZINC000335977052 228172616 /nfs/dbraw/zinc/17/26/16/228172616.db2.gz HLFNUJOUSIBQTJ-CQSZACIVSA-N 0 1 297.402 2.590 20 30 CFEDMN Cc1cc2c[nH]nc2c(C(=O)N2CCC(CC#N)CC2)c1 ZINC000336034199 228180351 /nfs/dbraw/zinc/18/03/51/228180351.db2.gz AQGZLXKNPLHQTO-UHFFFAOYSA-N 0 1 282.347 2.637 20 30 CFEDMN C=CC[C@@H](C)NC(=O)NC[C@H](c1ccco1)N(CC)CC ZINC000117040010 260019470 /nfs/dbraw/zinc/01/94/70/260019470.db2.gz DUQIVXHEQQEJRC-ZIAGYGMSSA-N 0 1 293.411 2.926 20 30 CFEDMN C[C@H](C(=O)NC1(C#N)CCCCC1)N1CCC(C)(C)CC1 ZINC000407998838 260162493 /nfs/dbraw/zinc/16/24/93/260162493.db2.gz SZDLPAJNVUEMLJ-CQSZACIVSA-N 0 1 291.439 2.840 20 30 CFEDMN COc1ccc(C(=O)C2CCN(CCCC#N)CC2)cc1 ZINC000054886727 260219133 /nfs/dbraw/zinc/21/91/33/260219133.db2.gz OVSSUKSLBFENBQ-UHFFFAOYSA-N 0 1 286.375 2.894 20 30 CFEDMN C[C@H](C(=O)Nc1nnc2ccccn21)N1CCCCCC1 ZINC000074464344 260287333 /nfs/dbraw/zinc/28/73/33/260287333.db2.gz FDIDWDJCHJIDTP-GFCCVEGCSA-N 0 1 287.367 2.582 20 30 CFEDMN N#CCCN(CCC(=O)N1CCc2ccccc21)CC1CC1 ZINC000081043933 260329993 /nfs/dbraw/zinc/32/99/93/260329993.db2.gz NTOATOGYMBNWCJ-UHFFFAOYSA-N 0 1 297.402 2.591 20 30 CFEDMN C[C@@H]1CCN(CC(=O)N(CCC#N)c2ccccc2)C[C@@H]1C ZINC000122707897 260722280 /nfs/dbraw/zinc/72/22/80/260722280.db2.gz MGQCVHPYZSXDCY-CVEARBPZSA-N 0 1 299.418 2.911 20 30 CFEDMN CCN(CC(=O)N[C@H](CCC#N)c1ccccc1)C1CC1 ZINC000154188653 261088422 /nfs/dbraw/zinc/08/84/22/261088422.db2.gz VJQLDXMEQXFWQA-MRXNPFEDSA-N 0 1 285.391 2.632 20 30 CFEDMN CC(C)c1csc(C(C#N)C(=O)NC(C)(C)C)n1 ZINC000155767977 261107327 /nfs/dbraw/zinc/10/73/27/261107327.db2.gz OEMKCVIALWVIAT-SECBINFHSA-N 0 1 265.382 2.788 20 30 CFEDMN C#CCN1CCC(C(=O)O[C@H](C)CCc2ccccc2)CC1 ZINC000490893410 261237979 /nfs/dbraw/zinc/23/79/79/261237979.db2.gz UFMRPKHFVSTWNS-MRXNPFEDSA-N 0 1 299.414 2.896 20 30 CFEDMN C#CCN1CCC(C(=O)OCCCSCC(C)C)CC1 ZINC000490898355 261240458 /nfs/dbraw/zinc/24/04/58/261240458.db2.gz JWVCTYPTTRDKTO-UHFFFAOYSA-N 0 1 297.464 2.654 20 30 CFEDMN Cc1cccc2c1[nH]cc(C(=O)N1CCC(C#N)CC1)c2=O ZINC000162818429 261294905 /nfs/dbraw/zinc/29/49/05/261294905.db2.gz ARMLLDVAJYFDPU-UHFFFAOYSA-N 0 1 295.342 2.625 20 30 CFEDMN Cc1[nH]ncc1CNc1ccccc1O[C@H](C)C#N ZINC000181128903 261887009 /nfs/dbraw/zinc/88/70/09/261887009.db2.gz HCPLEWLXAYFCOA-SNVBAGLBSA-N 0 1 256.309 2.621 20 30 CFEDMN Cn1cc([C@@H](NCCCC#N)c2ccc(F)cc2)cn1 ZINC000185439586 262054353 /nfs/dbraw/zinc/05/43/53/262054353.db2.gz GKOBBLOSSFQDKV-HNNXBMFYSA-N 0 1 272.327 2.542 20 30 CFEDMN N#C[C@@H]1CCC[C@@H](NCC(=O)Nc2ccc(Cl)cc2)C1 ZINC000192757723 262210284 /nfs/dbraw/zinc/21/02/84/262210284.db2.gz DLVIMCJKIVIBNX-BXUZGUMPSA-N 0 1 291.782 2.950 20 30 CFEDMN C=CC1CCN(CC(=O)NCc2ccc(C)cc2)CC1 ZINC000111259871 262258926 /nfs/dbraw/zinc/25/89/26/262258926.db2.gz WMVGRSHCORMOHQ-UHFFFAOYSA-N 0 1 272.392 2.509 20 30 CFEDMN C=C(C)CN(C)CC(=O)N1CCC[C@H]1c1ccsc1 ZINC000364942119 262265342 /nfs/dbraw/zinc/26/53/42/262265342.db2.gz HZGLEOMCHLLBAV-AWEZNQCLSA-N 0 1 278.421 2.920 20 30 CFEDMN C#CCN(C)[C@H]1CCOc2ccc(Br)cc21 ZINC000365205771 262351353 /nfs/dbraw/zinc/35/13/53/262351353.db2.gz DIJWQBQXWASZBQ-LBPRGKRZSA-N 0 1 280.165 2.838 20 30 CFEDMN CC(C)(C)OC(=O)N1CC[C@@H]2CCN(CCCC#N)C[C@@H]21 ZINC000365408444 262364355 /nfs/dbraw/zinc/36/43/55/262364355.db2.gz HUUWGQRWKLLAOV-KBPBESRZSA-N 0 1 293.411 2.621 20 30 CFEDMN C[C@@H]1CC[S@](=O)CCN1CCCCC(C)(C)C#N ZINC000365600361 262372887 /nfs/dbraw/zinc/37/28/87/262372887.db2.gz OVVLUAQMIFLYEW-ACJLOTCBSA-N 0 1 270.442 2.549 20 30 CFEDMN C=CCC[N@@H+]1C[C@H](C2CCCCC2)C[C@@H]1C(=O)[O-] ZINC000518797671 262388875 /nfs/dbraw/zinc/38/88/75/262388875.db2.gz GCPVKSPIFXWIJO-ZIAGYGMSSA-N 0 1 251.370 2.918 20 30 CFEDMN N#C[C@@H]1CCC[C@H](NCc2cn3ccsc3n2)C1 ZINC000278733227 263050046 /nfs/dbraw/zinc/05/00/46/263050046.db2.gz MYJWDVVUEJDCBL-MNOVXSKESA-N 0 1 260.366 2.568 20 30 CFEDMN N#CC1CCC(CN[C@H](c2ncc[nH]2)c2cccnc2)CC1 ZINC000282154449 263074793 /nfs/dbraw/zinc/07/47/93/263074793.db2.gz CZFLANGXUMDFQC-XUJLQICISA-N 0 1 295.390 2.814 20 30 CFEDMN CCCCCCCN(C)Cc1ccccc1S(N)(=O)=O ZINC000292904306 263136367 /nfs/dbraw/zinc/13/63/67/263136367.db2.gz ZUQQZOBBGXIQQZ-UHFFFAOYSA-N 0 1 298.452 2.736 20 30 CFEDMN Cc1ccc2c(c1)CN([C@H]1CC[C@@H](C#N)C1)CCO2 ZINC000293569381 263143510 /nfs/dbraw/zinc/14/35/10/263143510.db2.gz MWOWYSQPISCUOQ-HIFRSBDPSA-N 0 1 256.349 2.882 20 30 CFEDMN C=C[C@@H](CO)N[C@H](CC)c1cc(Cl)ccc1OC ZINC000353572065 263176984 /nfs/dbraw/zinc/17/69/84/263176984.db2.gz WTEWWIRTJDFRLH-WCQYABFASA-N 0 1 269.772 2.936 20 30 CFEDMN CCN(C)[C@@H](C(=O)N[C@H]1CC[C@@H](CC#N)C1)c1ccccc1 ZINC000295495823 263178491 /nfs/dbraw/zinc/17/84/91/263178491.db2.gz FTCYCPLJQGNABO-BHYGNILZSA-N 0 1 299.418 2.878 20 30 CFEDMN CCN(C[C@@H](C)C#N)C(=O)CNc1ccc2cnccc2c1 ZINC000297037266 263200038 /nfs/dbraw/zinc/20/00/38/263200038.db2.gz VAJPUCXPZXZRAN-ZDUSSCGKSA-N 0 1 296.374 2.655 20 30 CFEDMN C#CCN(Cc1ccc(F)cc1)[C@@H]1CC[C@H](C#N)C1 ZINC000298071073 263214663 /nfs/dbraw/zinc/21/46/63/263214663.db2.gz JLGSCBBIPYVKED-GOEBONIOSA-N 0 1 256.324 2.953 20 30 CFEDMN Cc1ccc([C@@H](C)N(C)CC(=O)N[C@](C)(C#N)C2CC2)cc1 ZINC000298588134 263222546 /nfs/dbraw/zinc/22/25/46/263222546.db2.gz QQECZFIFVLLTPV-RDTXWAMCSA-N 0 1 299.418 2.796 20 30 CFEDMN CCN(CCC#N)C(=O)CN(C)[C@H](C)c1ccccc1C ZINC000299089100 263230374 /nfs/dbraw/zinc/23/03/74/263230374.db2.gz YXFONONYKBLOEP-OAHLLOKOSA-N 0 1 287.407 2.750 20 30 CFEDMN N#CC(C(=O)NCC(F)(F)F)c1nc2ccccc2s1 ZINC000299613768 263248955 /nfs/dbraw/zinc/24/89/55/263248955.db2.gz IXSAFJBUMJAVDQ-SSDOTTSWSA-N 0 1 299.277 2.582 20 30 CFEDMN C#CCCN1CCN([C@H](C)c2ccccc2F)CC1 ZINC000119931604 263278772 /nfs/dbraw/zinc/27/87/72/263278772.db2.gz DGFFJEOINZEULJ-CQSZACIVSA-N 0 1 260.356 2.528 20 30 CFEDMN C=CCCC[N@H+](C)CC(=O)NCc1sccc1C ZINC000121036426 263289829 /nfs/dbraw/zinc/28/98/29/263289829.db2.gz BIXRULOHOMQPKY-UHFFFAOYSA-N 0 1 266.410 2.571 20 30 CFEDMN C=CCCC[C@@H](C)N1CCN(C(=O)N(CC)CC)CC1 ZINC000340761436 263305115 /nfs/dbraw/zinc/30/51/15/263305115.db2.gz PMXKIWHEAWIUTI-OAHLLOKOSA-N 0 1 281.444 2.811 20 30 CFEDMN CC(=O)c1ccc(C(=O)C(C#N)c2cc(C)nc(C)n2)cc1 ZINC000340887750 263312263 /nfs/dbraw/zinc/31/22/63/263312263.db2.gz XIIMKGXURDIKMN-HNNXBMFYSA-N 0 1 293.326 2.786 20 30 CFEDMN CC(C)(C#N)CCSCc1n[nH]c(C2CC2)n1 ZINC000342003509 263376082 /nfs/dbraw/zinc/37/60/82/263376082.db2.gz MHGPIQJSWHYBMJ-UHFFFAOYSA-N 0 1 250.371 2.855 20 30 CFEDMN C=C(C)C[C@H](C)C(=O)N1C[C@H](C)N(CC)C[C@H]1C ZINC000342009814 263377395 /nfs/dbraw/zinc/37/73/95/263377395.db2.gz BVIFGNKPFCRAIQ-MELADBBJSA-N 0 1 252.402 2.530 20 30 CFEDMN C#Cc1ccc(NC(=O)N2CCN([C@H](C)CC)CC2)cc1 ZINC000934928609 649856555 /nfs/dbraw/zinc/85/65/55/649856555.db2.gz SRUDUMYENPSYOD-CQSZACIVSA-N 0 1 285.391 2.616 20 30 CFEDMN C[C@@H](Cn1cccn1)[NH+]=C([O-])N1CCCC12CCCCC2 ZINC000328814159 263866660 /nfs/dbraw/zinc/86/66/60/263866660.db2.gz GEFBFDSBHNJHIG-AWEZNQCLSA-N 0 1 290.411 2.984 20 30 CFEDMN Cc1cc(C(=O)NCc2cnc[nH]2)c(C)n1C(C)C ZINC000330882069 264062032 /nfs/dbraw/zinc/06/20/32/264062032.db2.gz AJOZUELSEUQFCM-UHFFFAOYSA-N 0 1 260.341 2.914 20 30 CFEDMN CCc1nc(C)c(NC(=O)NCc2cn[nH]c2C)s1 ZINC000331195586 264158565 /nfs/dbraw/zinc/15/85/65/264158565.db2.gz NIJNOCFCVYNCFX-UHFFFAOYSA-N 0 1 279.369 2.572 20 30 CFEDMN Cc1cnn(CCNC([O-])=[NH+]c2c(C)cc(C)nc2C)c1 ZINC000331248558 264179915 /nfs/dbraw/zinc/17/99/15/264179915.db2.gz WVEXHKIHKOHYSY-UHFFFAOYSA-N 0 1 287.367 2.538 20 30 CFEDMN Cc1scc(C(=O)NC[C@H]2CCCCN2CCO)c1C ZINC000331346321 264204978 /nfs/dbraw/zinc/20/49/78/264204978.db2.gz WBVBFNIFXBEPSY-CYBMUJFWSA-N 0 1 296.436 2.516 20 30 CFEDMN CCC1(CC)CCC(NC(=O)N(C)Cc2nnc[nH]2)CC1 ZINC000331360926 264208882 /nfs/dbraw/zinc/20/88/82/264208882.db2.gz YKIIQJWJYZKALK-UHFFFAOYSA-N 0 1 293.415 2.900 20 30 CFEDMN C=CCC[C@@H](O)CN1C[C@@H](c2ccccc2)OC[C@@H]1C ZINC000126507462 264218147 /nfs/dbraw/zinc/21/81/47/264218147.db2.gz HYNDGVIPHCRRBO-UAGQMJEPSA-N 0 1 275.392 2.776 20 30 CFEDMN C=CCN(CCOC)Cc1ccc(OCC)c(F)c1 ZINC000425983905 264264165 /nfs/dbraw/zinc/26/41/65/264264165.db2.gz FOEWLIKDVICCDG-UHFFFAOYSA-N 0 1 267.344 2.859 20 30 CFEDMN COC(=O)[C@@H](CCN1CCC(C#N)CC1)c1ccccc1 ZINC000425402894 264283557 /nfs/dbraw/zinc/28/35/57/264283557.db2.gz SDSDXWBRGCNHNF-INIZCTEOSA-N 0 1 286.375 2.569 20 30 CFEDMN C=CCCCN(C)CC(=O)Nc1ccc(F)c(F)c1 ZINC000076734886 264342780 /nfs/dbraw/zinc/34/27/80/264342780.db2.gz MJCMJAXYROJCAV-UHFFFAOYSA-N 0 1 268.307 2.801 20 30 CFEDMN C=CCCCN(C)CC(=O)Nc1ccc(OC)cc1OC ZINC000076734144 264342961 /nfs/dbraw/zinc/34/29/61/264342961.db2.gz IBVYIGXTCPGEGH-UHFFFAOYSA-N 0 1 292.379 2.540 20 30 CFEDMN C=CCCCN(C)C(=O)c1[nH]nc2ccc([N+](=O)[O-])cc21 ZINC000076650917 264346886 /nfs/dbraw/zinc/34/68/86/264346886.db2.gz JBUVSUPLNULKOP-UHFFFAOYSA-N 0 1 288.307 2.509 20 30 CFEDMN N#CCCCCN1CCN(c2ccc(C#N)cc2F)CC1 ZINC000102400747 264883745 /nfs/dbraw/zinc/88/37/45/264883745.db2.gz SJNMWLYZBBXTAV-UHFFFAOYSA-N 0 1 286.354 2.513 20 30 CFEDMN C#CCC(C)(C)C(=O)NC[C@H](c1ccc(F)cc1)N(C)C ZINC000185229825 265011629 /nfs/dbraw/zinc/01/16/29/265011629.db2.gz UTNMSLQUIIFSOA-OAHLLOKOSA-N 0 1 290.382 2.594 20 30 CFEDMN COC(=O)c1ccc(-c2nc3ccc(C#N)cc3[nH]2)cc1 ZINC000033559261 265085266 /nfs/dbraw/zinc/08/52/66/265085266.db2.gz CSDXTJNEALEIBY-UHFFFAOYSA-N 0 1 277.283 2.888 20 30 CFEDMN CCN(CC(=O)N(CC)[C@@H](C)c1ccc(C#N)cc1)C1CC1 ZINC000192847418 266103153 /nfs/dbraw/zinc/10/31/53/266103153.db2.gz GXHSYQUUIVPMIO-AWEZNQCLSA-N 0 1 299.418 2.952 20 30 CFEDMN C[C@@H](C(=O)N1[C@H](C)CCC[C@@H]1C)N1CCC(C)(C#N)CC1 ZINC000356460273 266118678 /nfs/dbraw/zinc/11/86/78/266118678.db2.gz RLCCYBKPCLRIQR-ZNMIVQPWSA-N 0 1 291.439 2.790 20 30 CFEDMN C=CCCC[C@H](C)NC(=O)c1cc(O)cc([N+](=O)[O-])c1 ZINC000356792810 266175713 /nfs/dbraw/zinc/17/57/13/266175713.db2.gz VGAUGWVPRBNLCM-JTQLQIEISA-N 0 1 278.308 2.775 20 30 CFEDMN C=C(C)[C@@H]1OCC[C@H]1CNc1ccnc(C)c1Cl ZINC000356997438 266228451 /nfs/dbraw/zinc/22/84/51/266228451.db2.gz MOKRAOKYSHAPFP-FZMZJTMJSA-N 0 1 266.772 2.858 20 30 CFEDMN C=C[C@@H](C)NC(=O)[C@H](c1ccccc1)N(CC)CC ZINC000362603563 267019558 /nfs/dbraw/zinc/01/95/58/267019558.db2.gz YQJUMRQRQCCOAO-HIFRSBDPSA-N 0 1 260.381 2.760 20 30 CFEDMN C=C(Cl)CN1CCC[C@H]1[C@@H]1CCCN1C(=O)CC ZINC000363110486 267075351 /nfs/dbraw/zinc/07/53/51/267075351.db2.gz JMQHBWZJCHVPJE-STQMWFEESA-N 0 1 270.804 2.604 20 30 CFEDMN CCCCNC(=O)CCN(CCC#N)CC(C)(C)C ZINC000116279899 267135851 /nfs/dbraw/zinc/13/58/51/267135851.db2.gz ICGOFTPUAQPMHH-UHFFFAOYSA-N 0 1 267.417 2.555 20 30 CFEDMN C[C@H](C(=O)NC1(C#N)CCCCC1)N1C[C@H]2CCCC[C@H]21 ZINC000368053856 267142913 /nfs/dbraw/zinc/14/29/13/267142913.db2.gz HZNNFRHDGHYSME-RBSFLKMASA-N 0 1 289.423 2.592 20 30 CFEDMN CC(C)n1ccc(C[C@@H](C)NCC2(C#N)CCC2)n1 ZINC000418142303 267363225 /nfs/dbraw/zinc/36/32/25/267363225.db2.gz MSMNLKHRKNSIBQ-CYBMUJFWSA-N 0 1 260.385 2.678 20 30 CFEDMN CC(C)[C@](C)(C#N)NC(=O)CN1CC[C@@H](C)C2(CCC2)C1 ZINC000376604367 268000203 /nfs/dbraw/zinc/00/02/03/268000203.db2.gz OTGPHXHNUOJSKG-ZBFHGGJFSA-N 0 1 291.439 2.553 20 30 CFEDMN CCN(CC(=O)NCC(C)C)[C@@H](C)c1ccc(C#N)cc1 ZINC000042741603 270228085 /nfs/dbraw/zinc/22/80/85/270228085.db2.gz IDMPEAQLZONJOV-AWEZNQCLSA-N 0 1 287.407 2.713 20 30 CFEDMN CC[C@@H](C)[C@H](C)NCc1c(C#N)cccc1[N+](=O)[O-] ZINC000459381532 270336949 /nfs/dbraw/zinc/33/69/49/270336949.db2.gz CMMJWVKNKYGQDE-MNOVXSKESA-N 0 1 261.325 2.991 20 30 CFEDMN COc1cc(CN[C@@H](CO)c2ccccc2C)ccc1C#N ZINC000515345608 270368325 /nfs/dbraw/zinc/36/83/25/270368325.db2.gz CUAXNWRRAOTZNF-KRWDZBQOSA-N 0 1 296.370 2.699 20 30 CFEDMN C[C@@H]1C[C@@H](Nc2nc(Cl)c(C#N)s2)CN1C1CC1 ZINC000288056851 274395036 /nfs/dbraw/zinc/39/50/36/274395036.db2.gz YAXSCEGJUAQNII-HTQZYQBOSA-N 0 1 282.800 2.705 20 30 CFEDMN C(#Cc1ccccc1)CN1CCC[C@@H](c2ncc[nH]2)C1 ZINC000276887577 275388736 /nfs/dbraw/zinc/38/87/36/275388736.db2.gz BQKAJUWLUDYVCS-MRXNPFEDSA-N 0 1 265.360 2.641 20 30 CFEDMN C=CCNC(=O)CN[C@H]1C[C@H](C)Sc2sccc21 ZINC000180036463 275430308 /nfs/dbraw/zinc/43/03/08/275430308.db2.gz SXCIEBUDXNWVHT-ONGXEEELSA-N 0 1 282.434 2.565 20 30 CFEDMN COc1cc(C#N)ccc1CN1CCCO[C@@H]2CCC[C@@H]21 ZINC000367255970 277367502 /nfs/dbraw/zinc/36/75/02/277367502.db2.gz QXKDRJVECDZCRZ-JKSUJKDBSA-N 0 1 286.375 2.710 20 30 CFEDMN C[C@@H]1CN(C(=O)c2ccc(C#N)c(O)c2)c2ccccc2O1 ZINC000442648256 277853697 /nfs/dbraw/zinc/85/36/97/277853697.db2.gz KLRUGBHNNVXKNI-LLVKDONJSA-N 0 1 294.310 2.692 20 30 CFEDMN C[C@H](N[C@@H]1CCc2ccc(C#N)cc21)c1cnn(C)c1 ZINC000336191105 278276485 /nfs/dbraw/zinc/27/64/85/278276485.db2.gz UOSDQUPLRWUOQI-MEDUHNTESA-N 0 1 266.348 2.630 20 30 CFEDMN Cc1nc([C@@H]2CCCCN2Cc2cccc(C#N)c2F)n[nH]1 ZINC000331892816 279105937 /nfs/dbraw/zinc/10/59/37/279105937.db2.gz GQAMSDNBCQETRB-AWEZNQCLSA-N 0 1 299.353 2.851 20 30 CFEDMN CN1CCN(C(=O)c2ccc(C#N)cc2)C2(CCCCC2)C1 ZINC000080941410 290030561 /nfs/dbraw/zinc/03/05/61/290030561.db2.gz NIMOGOCUWSTTAR-UHFFFAOYSA-N 0 1 297.402 2.649 20 30 CFEDMN CCn1nc(C)c(CNCc2ccc(C#N)c(C)c2)c1C ZINC000562467952 290045604 /nfs/dbraw/zinc/04/56/04/290045604.db2.gz OHDPJXROGCEHCH-UHFFFAOYSA-N 0 1 282.391 2.990 20 30 CFEDMN N#Cc1csc(CNCCc2ccc(F)cc2F)n1 ZINC000562904743 290081351 /nfs/dbraw/zinc/08/13/51/290081351.db2.gz MCRFXBDMXBLDCW-UHFFFAOYSA-N 0 1 279.315 2.625 20 30 CFEDMN CN(Cc1nnc(-c2ccc(C#N)cc2)o1)C(C)(C)C ZINC000563082261 290101836 /nfs/dbraw/zinc/10/18/36/290101836.db2.gz XUJDYTZPVGAGPZ-UHFFFAOYSA-N 0 1 270.336 2.839 20 30 CFEDMN C[C@H](c1cccc(C#N)c1)N(C)Cc1ccc(CO)o1 ZINC000563806695 290175247 /nfs/dbraw/zinc/17/52/47/290175247.db2.gz FEPMXOZRWONBNP-GFCCVEGCSA-N 0 1 270.332 2.837 20 30 CFEDMN Cc1nc([C@H]2CCCCN2Cc2cccc(F)c2C#N)n[nH]1 ZINC000428372080 293386470 /nfs/dbraw/zinc/38/64/70/293386470.db2.gz IFCYZHZFVNEGEK-OAHLLOKOSA-N 0 1 299.353 2.851 20 30 CFEDMN [O-]C(=[NH+][C@@H]1CC[C@@H]2CCC[C@H]2C1)N1CCn2cncc2C1 ZINC000329668218 295383243 /nfs/dbraw/zinc/38/32/43/295383243.db2.gz QXGIQGYXVIVWDH-MELADBBJSA-N 0 1 288.395 2.582 20 30 CFEDMN [O-]C(=[NH+][C@@H]1CC[C@@H]2CCC[C@@H]2C1)N1CCn2cncc2C1 ZINC000329668216 295383300 /nfs/dbraw/zinc/38/33/00/295383300.db2.gz QXGIQGYXVIVWDH-BFHYXJOUSA-N 0 1 288.395 2.582 20 30 CFEDMN CC(C)(C)n1cc(/C=C/C(=O)c2ccc(O)c(F)c2)nn1 ZINC000191296305 327872890 /nfs/dbraw/zinc/87/28/90/327872890.db2.gz GEFTZSDFLWIMBT-FNORWQNLSA-N 0 1 289.310 2.774 20 30 CFEDMN CC[C@H](CC#N)NC(=O)[C@H](CC)N(C)Cc1ccccc1 ZINC000339352628 328008501 /nfs/dbraw/zinc/00/85/01/328008501.db2.gz PKMNLQXEBFVYEV-CVEARBPZSA-N 0 1 287.407 2.705 20 30 CFEDMN CCC[C@@H](C#N)NC(=O)c1cccc(C(F)(F)F)c1O ZINC000563377293 328058697 /nfs/dbraw/zinc/05/86/97/328058697.db2.gz SLCMSMRERDRLSP-QMMMGPOBSA-N 0 1 286.253 2.833 20 30 CFEDMN C=C(C)CN(CC)CC(=O)N(C)[C@H]1CCCC[C@@H]1C ZINC000217200370 329058793 /nfs/dbraw/zinc/05/87/93/329058793.db2.gz YYXDRRKTORRVOO-GJZGRUSLSA-N 0 1 266.429 2.922 20 30 CFEDMN CN1CC[C@H](NCCC#N)[C@H]1c1ccc(Cl)cc1 ZINC000411747418 328098803 /nfs/dbraw/zinc/09/88/03/328098803.db2.gz KWMGOLKFKITNSR-UONOGXRCSA-N 0 1 263.772 2.588 20 30 CFEDMN COc1cccc(OCCN2CCC(C)(C#N)CC2)c1 ZINC000272510870 328200211 /nfs/dbraw/zinc/20/02/11/328200211.db2.gz GDDNLJJEWPEIMC-UHFFFAOYSA-N 0 1 274.364 2.700 20 30 CFEDMN CCC(CC)n1ccc(CON=C(N)C(C)C)n1 ZINC000274775877 328213345 /nfs/dbraw/zinc/21/33/45/328213345.db2.gz XNSZKQZPFMFTDY-UHFFFAOYSA-N 0 1 252.362 2.689 20 30 CFEDMN C[C@@H](CCC#N)[N@@H+](C)Cc1nc(=O)c2sccc2[n-]1 ZINC000278602829 328228168 /nfs/dbraw/zinc/22/81/68/328228168.db2.gz LYICVROUSDNAPR-VIFPVBQESA-N 0 1 276.365 2.521 20 30 CFEDMN C=C(C)CN(C)[C@H](C)C(=O)N(C)Cc1ccccc1C ZINC000181328700 329231677 /nfs/dbraw/zinc/23/16/77/329231677.db2.gz DHYIKKDJCBTDGV-OAHLLOKOSA-N 0 1 274.408 2.850 20 30 CFEDMN CCC(CC)CN(CCC#N)CCc1ccnn1C ZINC000284284726 328245645 /nfs/dbraw/zinc/24/56/45/328245645.db2.gz FQYSUZOQCQWJQU-UHFFFAOYSA-N 0 1 262.401 2.614 20 30 CFEDMN C=CCN(Cc1ccccc1F)C[C@@H](O)C(C)C ZINC000340275210 328252803 /nfs/dbraw/zinc/25/28/03/328252803.db2.gz AWGXSDWDDQBCCT-OAHLLOKOSA-N 0 1 251.345 2.831 20 30 CFEDMN Cc1ccncc1CCCN(CCC#N)CC1CC1 ZINC000289248597 328254301 /nfs/dbraw/zinc/25/43/01/328254301.db2.gz CDURGRXCRWMUME-UHFFFAOYSA-N 0 1 257.381 2.948 20 30 CFEDMN C=C(C)CN1CC[C@H]1CN(C)C(=O)C1C(C)(C)C1(C)C ZINC001085536891 782093208 /nfs/dbraw/zinc/09/32/08/782093208.db2.gz LRBXZXWIGIHIAB-ZDUSSCGKSA-N 0 1 278.440 2.777 20 30 CFEDMN Cc1cscc1NS(=O)(=O)c1ccc(C#N)cc1 ZINC000161647604 322355229 /nfs/dbraw/zinc/35/52/29/322355229.db2.gz GFZPPQDDNOHLJO-UHFFFAOYSA-N 0 1 278.358 2.729 20 30 CFEDMN C=CC[N@H+](C)C[C@H](O)CO[C@@H](C)c1ccc(Cl)cc1 ZINC000121387618 328375350 /nfs/dbraw/zinc/37/53/50/328375350.db2.gz CXSFCHKOZOYRHP-WFASDCNBSA-N 0 1 283.799 2.896 20 30 CFEDMN Cc1cccc(C)c1NC(=O)CNCc1ccc(C#N)s1 ZINC000176941766 323686085 /nfs/dbraw/zinc/68/60/85/323686085.db2.gz ACGWMVKIMOZOEQ-UHFFFAOYSA-N 0 1 299.399 2.965 20 30 CFEDMN C[C@@H](NCc1cc(C#N)cs1)C(=O)Nc1ccccc1 ZINC000177699658 323702780 /nfs/dbraw/zinc/70/27/80/323702780.db2.gz HJRDVRPFZSMHTP-LLVKDONJSA-N 0 1 285.372 2.737 20 30 CFEDMN C=CC[C@@H](C(=O)N1CCN(CC2CC2)CC1)c1ccccc1 ZINC000188456773 328457872 /nfs/dbraw/zinc/45/78/72/328457872.db2.gz ANRICSQSGAJFNK-GOSISDBHSA-N 0 1 298.430 2.901 20 30 CFEDMN Cc1cc2[nH]ncc2cc1NC(=O)Cc1cccc(C#N)c1 ZINC000583356690 325280615 /nfs/dbraw/zinc/28/06/15/325280615.db2.gz GIDYKGJURHHHAZ-UHFFFAOYSA-N 0 1 290.326 2.924 20 30 CFEDMN C#CC[N@H+](CCc1cccnc1)Cc1ccc(F)cc1 ZINC000172076001 335093604 /nfs/dbraw/zinc/09/36/04/335093604.db2.gz DTSBZJAYYZKFHQ-UHFFFAOYSA-N 0 1 268.335 2.899 20 30 CFEDMN CCN(C(=O)[C@H](C)N1CC(C)C1)[C@@H](C)c1ccc(C#N)cc1 ZINC000584061200 325328394 /nfs/dbraw/zinc/32/83/94/325328394.db2.gz DQBSFRIHZBMOKH-GJZGRUSLSA-N 0 1 299.418 2.808 20 30 CFEDMN C=C[C@H](C)NCc1cn2ccc(Br)cc2n1 ZINC000336783232 328544686 /nfs/dbraw/zinc/54/46/86/328544686.db2.gz ZUYXYXJCQVQLKJ-VIFPVBQESA-N 0 1 280.169 2.761 20 30 CFEDMN C=C[C@@H](CC(=O)N1CCN(C)C(C)(C)C1)c1ccccc1 ZINC000559259039 327151512 /nfs/dbraw/zinc/15/15/12/327151512.db2.gz QRMJNXLSJCMPFI-HNNXBMFYSA-N 0 1 286.419 2.899 20 30 CFEDMN CC(C)(C)c1[nH]n(C[C@@H]2CCCOC2)c(=O)c1CCC#N ZINC000536156121 328659140 /nfs/dbraw/zinc/65/91/40/328659140.db2.gz ZICJKKJKASSTIJ-LBPRGKRZSA-N 0 1 291.395 2.769 20 30 CFEDMN C[C@H](C#N)CN[C@@H](C)[C@H]1CCCCN1C(=O)OC(C)(C)C ZINC000395259315 328734069 /nfs/dbraw/zinc/73/40/69/328734069.db2.gz WUOXWWDYXPRMLE-HZSPNIEDSA-N 0 1 295.427 2.914 20 30 CFEDMN C[C@@H](NC[C@H](C)C#N)[C@@H]1CCCCN1C(=O)OC(C)(C)C ZINC000395259321 328734082 /nfs/dbraw/zinc/73/40/82/328734082.db2.gz WUOXWWDYXPRMLE-MCIONIFRSA-N 0 1 295.427 2.914 20 30 CFEDMN N#CC1(CNC[C@@H](O)Cc2ccc(C(F)(F)F)cc2)CC1 ZINC000582416023 328984165 /nfs/dbraw/zinc/98/41/65/328984165.db2.gz RSIJGEJYOIVPKW-ZDUSSCGKSA-N 0 1 298.308 2.502 20 30 CFEDMN C#Cc1ccc(CN2C[C@H](CC)O[C@]3(CCCOC3)C2)cc1 ZINC000377703178 329025872 /nfs/dbraw/zinc/02/58/72/329025872.db2.gz VZWPHEKKVOLROI-RBUKOAKNSA-N 0 1 299.414 2.828 20 30 CFEDMN C=CCN1CCN([C@@H](C)c2cccc(OC)c2)CC1 ZINC000171705180 329078701 /nfs/dbraw/zinc/07/87/01/329078701.db2.gz DEKBDYVMNPFFDH-AWEZNQCLSA-N 0 1 260.381 2.560 20 30 CFEDMN CC#CCN(C)C[C@H](O)COc1ccc(C(C)(C)C)cc1 ZINC000582500760 329098251 /nfs/dbraw/zinc/09/82/51/329098251.db2.gz WWLWCQPKOBBLGT-INIZCTEOSA-N 0 1 289.419 2.679 20 30 CFEDMN CC1=C[C@@H](C)CN([C@H](C)C(=O)NC2(C#N)CCCCC2)C1 ZINC000582709962 329133415 /nfs/dbraw/zinc/13/34/15/329133415.db2.gz ROXCYCWRTLSBNT-UKRRQHHQSA-N 0 1 289.423 2.616 20 30 CFEDMN CC(C)CC[N@@H+](CCC#N)CCC(=O)NC1CCCC1 ZINC000173538968 329148945 /nfs/dbraw/zinc/14/89/45/329148945.db2.gz VSLNNVKGGBTDLN-UHFFFAOYSA-N 0 1 279.428 2.697 20 30 CFEDMN CC(C)CCN(CCC#N)CCC(=O)NC1CCCC1 ZINC000173538968 329148947 /nfs/dbraw/zinc/14/89/47/329148947.db2.gz VSLNNVKGGBTDLN-UHFFFAOYSA-N 0 1 279.428 2.697 20 30 CFEDMN CCSCC[C@H](C)N(C)CC(=O)N[C@@](C)(C#N)C(C)C ZINC000174026691 329157246 /nfs/dbraw/zinc/15/72/46/329157246.db2.gz IWUMGBQCWFYQCG-ZFWWWQNUSA-N 0 1 299.484 2.504 20 30 CFEDMN CCC[C@@]1(C)CCCN(CC(=O)N[C@@](C)(C#N)C2CC2)C1 ZINC000174451435 329159258 /nfs/dbraw/zinc/15/92/58/329159258.db2.gz NUNNOPDPOCLTFH-IRXDYDNUSA-N 0 1 291.439 2.697 20 30 CFEDMN C=C(C)CN(C)Cc1ccc(OC)c(OC)c1OC ZINC000176847526 329179281 /nfs/dbraw/zinc/17/92/81/329179281.db2.gz XQOUJCGSZZPXND-UHFFFAOYSA-N 0 1 265.353 2.720 20 30 CFEDMN C=C(C)CN(C)Cc1cncc(Br)c1 ZINC000181268011 329228743 /nfs/dbraw/zinc/22/87/43/329228743.db2.gz NXNKKOOWERMKSR-UHFFFAOYSA-N 0 1 255.159 2.852 20 30 CFEDMN C=CCCC[C@@H](C)NC(=O)c1cccc(-c2nnc[nH]2)c1 ZINC000179799322 329212107 /nfs/dbraw/zinc/21/21/07/329212107.db2.gz VBGHGIIMWIHQSE-GFCCVEGCSA-N 0 1 284.363 2.946 20 30 CFEDMN C=C(C)CN(C)[C@@H](C)C(=O)N(CC)Cc1ccccc1 ZINC000181253169 329228202 /nfs/dbraw/zinc/22/82/02/329228202.db2.gz DITRWCGTORFIKX-HNNXBMFYSA-N 0 1 274.408 2.932 20 30 CFEDMN C=C(C)CN(C)[C@H]1CCCN(c2cccc(F)c2)C1=O ZINC000181277591 329229233 /nfs/dbraw/zinc/22/92/33/329229233.db2.gz XGHIMVWRAAZLBE-HNNXBMFYSA-N 0 1 276.355 2.829 20 30 CFEDMN C=C(C)CN(C)[C@@H](C)C(=O)Nc1ccc(OCC)cc1 ZINC000181281825 329229239 /nfs/dbraw/zinc/22/92/39/329229239.db2.gz XYYKNYQSPXVHLB-ZDUSSCGKSA-N 0 1 276.380 2.920 20 30 CFEDMN C=C(C)CN(C)[C@H](C)C(=O)NCc1ccc(Cl)cc1 ZINC000181308608 329230808 /nfs/dbraw/zinc/23/08/08/329230808.db2.gz NCQYFRYHIKKVAV-GFCCVEGCSA-N 0 1 280.799 2.853 20 30 CFEDMN CCOCC[N@@H+](C)Cc1cccc(OCCCC#N)c1 ZINC000181488764 329233630 /nfs/dbraw/zinc/23/36/30/329233630.db2.gz UDBRQOZJBNEGIM-UHFFFAOYSA-N 0 1 276.380 2.837 20 30 CFEDMN C=CCN(Cc1cccc([N+](=O)[O-])c1)C[C@@H](C)OC ZINC000182092921 329237042 /nfs/dbraw/zinc/23/70/42/329237042.db2.gz BQSZWZMKOMQLJD-GFCCVEGCSA-N 0 1 264.325 2.618 20 30 CFEDMN CC(C)Cn1ccnc1CN[C@H]1CCC[C@@H](C#N)C1 ZINC000185714399 329330320 /nfs/dbraw/zinc/33/03/20/329330320.db2.gz RVCJSDQKDAHULU-KGLIPLIRSA-N 0 1 260.385 2.711 20 30 CFEDMN C=C(C)C[C@H](C)C(=O)N[C@H](c1n[nH]c(C)n1)c1ccccc1 ZINC000186153482 329338693 /nfs/dbraw/zinc/33/86/93/329338693.db2.gz SQCKGXAACBJUAV-WFASDCNBSA-N 0 1 298.390 2.921 20 30 CFEDMN CCC1(CC)CCN(CC(=O)N[C@](C)(C#N)C2CC2)CC1 ZINC000186549177 329345019 /nfs/dbraw/zinc/34/50/19/329345019.db2.gz XECSINRAZABFHY-MRXNPFEDSA-N 0 1 291.439 2.697 20 30 CFEDMN CC(C)CCNC(=O)[C@@H](C)N1CCC(CCC#N)CC1 ZINC000399301585 329450248 /nfs/dbraw/zinc/45/02/48/329450248.db2.gz NEHKNCFLWSENSO-CQSZACIVSA-N 0 1 279.428 2.553 20 30 CFEDMN CC(C)n1cncc1CNCc1ccc(CC#N)cc1 ZINC000583811992 329481203 /nfs/dbraw/zinc/48/12/03/329481203.db2.gz KPDDKUJXHXNCMP-UHFFFAOYSA-N 0 1 268.364 2.820 20 30 CFEDMN C=CC[N@@H+](Cc1ccccc1F)[C@H](CC)C(=O)[O-] ZINC000263140134 330045355 /nfs/dbraw/zinc/04/53/55/330045355.db2.gz OBIUGTIQQMJIFA-CYBMUJFWSA-N 0 1 251.301 2.677 20 30 CFEDMN C=CCOc1ccc(C[N@H+](C)[C@H](C)C(=O)[O-])cc1Cl ZINC000263406915 330054388 /nfs/dbraw/zinc/05/43/88/330054388.db2.gz KEHLIIIQKZQYFJ-SNVBAGLBSA-N 0 1 283.755 2.810 20 30 CFEDMN C#CCN(Cc1c[nH]nc1-c1ccc(F)cc1)C1CC1 ZINC000274051061 330103266 /nfs/dbraw/zinc/10/32/66/330103266.db2.gz CBMWEXIJBPLDJB-UHFFFAOYSA-N 0 1 269.323 2.813 20 30 CFEDMN C#CCN(Cc1cc(Cl)cc(OC)c1O)C1CC1 ZINC000274175673 330103568 /nfs/dbraw/zinc/10/35/68/330103568.db2.gz XHZJICCTWYVCRS-UHFFFAOYSA-N 0 1 265.740 2.652 20 30 CFEDMN C=CCN(CC=C)C(=O)CN1CCc2ccccc2C1(C)C ZINC000580462998 330142424 /nfs/dbraw/zinc/14/24/24/330142424.db2.gz YOVYUGWOBCVGNR-UHFFFAOYSA-N 0 1 298.430 2.980 20 30 CFEDMN C=CC[C@@H](CO)N[C@@H](C)c1cc(-c2ccccc2)n(C)n1 ZINC000527889753 330292157 /nfs/dbraw/zinc/29/21/57/330292157.db2.gz IDEGQKBAROMLFH-ZFWWWQNUSA-N 0 1 285.391 2.675 20 30 CFEDMN CCC(C#N)(CC)C(=O)N1CCN(CCC(C)(C)C)CC1 ZINC000528121925 330307230 /nfs/dbraw/zinc/30/72/30/330307230.db2.gz JYFJIIIJUDESIW-UHFFFAOYSA-N 0 1 293.455 2.897 20 30 CFEDMN CCOc1ccc([N+](=O)[O-])cc1CN[C@@H]1CC[C@H](C#N)C1 ZINC000424193699 330324355 /nfs/dbraw/zinc/32/43/55/330324355.db2.gz KUFHEFOAZKRNHG-WCQYABFASA-N 0 1 289.335 2.775 20 30 CFEDMN C=CCn1cc(CN[C@H]2C[C@H](OCCCC)C2(C)C)nn1 ZINC000424299683 330336937 /nfs/dbraw/zinc/33/69/37/330336937.db2.gz VYOLJNRDJVEMRA-GJZGRUSLSA-N 0 1 292.427 2.538 20 30 CFEDMN C=CCn1cccc1-c1nc(C2(N)CCCCC2)no1 ZINC000424344534 330344617 /nfs/dbraw/zinc/34/46/17/330344617.db2.gz LPDZVQZSDDBPGE-UHFFFAOYSA-N 0 1 272.352 2.842 20 30 CFEDMN C=CCOc1cccc(C[N@@H+]2CCC[C@@H](C)[C@@H]2C(=O)[O-])c1 ZINC000424411451 330350472 /nfs/dbraw/zinc/35/04/72/330350472.db2.gz BCXGRHPMSNFYHK-CZUORRHYSA-N 0 1 289.375 2.937 20 30 CFEDMN CC(C)C[C@H](C)N1C[C@H](C#N)[C@]2(C1)c1ccccc1NC2=O ZINC000445442822 330352583 /nfs/dbraw/zinc/35/25/83/330352583.db2.gz CNGPHOMOIAKCEF-SUNYJGFJSA-N 0 1 297.402 2.766 20 30 CFEDMN C=CCN(C)[C@@H](C)C(=O)N[C@H](C)c1ccc(CC)cc1 ZINC000121302346 330399477 /nfs/dbraw/zinc/39/94/77/330399477.db2.gz LSQQMOARNBVPDJ-KGLIPLIRSA-N 0 1 274.408 2.933 20 30 CFEDMN N#CCCCOc1cccc(CN2CC3(CC3)C2)c1 ZINC000449371575 330919681 /nfs/dbraw/zinc/91/96/81/330919681.db2.gz WJQKRTOGPVVEOC-UHFFFAOYSA-N 0 1 256.349 2.965 20 30 CFEDMN Cc1cccc(CN2CCN(CC3(C#N)CCC3)CC2)c1 ZINC000450216322 330966515 /nfs/dbraw/zinc/96/65/15/330966515.db2.gz NCAZIVILYSMPMQ-UHFFFAOYSA-N 0 1 283.419 2.807 20 30 CFEDMN CO[C@@H](Cc1ccccc1)CN1CCC(F)(C#N)CC1 ZINC000450970708 331009234 /nfs/dbraw/zinc/00/92/34/331009234.db2.gz FIDPKIIZDYOXAZ-HNNXBMFYSA-N 0 1 276.355 2.572 20 30 CFEDMN N#CC1(CN2CCC[C@](CO)(Cc3ccccc3)C2)CCC1 ZINC000451051166 331013593 /nfs/dbraw/zinc/01/35/93/331013593.db2.gz RPRDQSPATLIDEW-IBGZPJMESA-N 0 1 298.430 2.997 20 30 CFEDMN C=CCC1(C(=O)N2CCN(C)[C@@H](C(C)C)C2)CCCC1 ZINC000451167041 331018364 /nfs/dbraw/zinc/01/83/64/331018364.db2.gz VMQSWNDSKUDJCC-OAHLLOKOSA-N 0 1 278.440 2.922 20 30 CFEDMN CO[C@@H]1CCN(CC#Cc2ccc(F)cc2)C[C@@H]1C ZINC000451571255 331034872 /nfs/dbraw/zinc/03/48/72/331034872.db2.gz PYBKVGAUMPMGLU-XJKSGUPXSA-N 0 1 261.340 2.534 20 30 CFEDMN CO[C@H]1CCN(CC#Cc2ccc(F)cc2)C[C@H]1C ZINC000451571253 331034970 /nfs/dbraw/zinc/03/49/70/331034970.db2.gz PYBKVGAUMPMGLU-CJNGLKHVSA-N 0 1 261.340 2.534 20 30 CFEDMN C=C[C@@H]1OCC[C@H]1NCc1cc(-c2ccc(F)cc2)no1 ZINC000451606785 331036402 /nfs/dbraw/zinc/03/64/02/331036402.db2.gz NUKBIVQFBBFBSH-ZBFHGGJFSA-N 0 1 288.322 2.914 20 30 CFEDMN C=C[C@@H]1OCCC[C@H]1NCc1ccn(C2CCCC2)n1 ZINC000451672300 331038404 /nfs/dbraw/zinc/03/84/04/331038404.db2.gz HQUDFWOOFIWFTN-CVEARBPZSA-N 0 1 275.396 2.821 20 30 CFEDMN C[C@H]1C[C@@H](O)CN(CC#Cc2ccc(C(F)(F)F)cc2)C1 ZINC000452069971 331052661 /nfs/dbraw/zinc/05/26/61/331052661.db2.gz RCNOIIXUQHASPP-SWLSCSKDSA-N 0 1 297.320 2.760 20 30 CFEDMN C=C(C)CCNC(=O)N(C)CCCN(C)Cc1ccco1 ZINC000455320602 331166010 /nfs/dbraw/zinc/16/60/10/331166010.db2.gz HSHWUGMZHYQGLY-UHFFFAOYSA-N 0 1 293.411 2.709 20 30 CFEDMN C=CC(C)(C)CNC(=O)N1CCC[C@H](c2cc(C)[nH]n2)C1 ZINC000455375753 331167404 /nfs/dbraw/zinc/16/74/04/331167404.db2.gz AARJBYPWCZMGRU-ZDUSSCGKSA-N 0 1 290.411 2.819 20 30 CFEDMN CC(C#N)C(=O)N[C@@H](CCC(C)(C)C)C(=O)OC(C)(C)C ZINC000456239157 331186972 /nfs/dbraw/zinc/18/69/72/331186972.db2.gz VXMJNKYXEWQVHZ-NEPJUHHUSA-N 0 1 296.411 2.799 20 30 CFEDMN C=C(CC)CNC(=O)[C@@H]1CCCN1Cc1ccccc1 ZINC000456832536 331206893 /nfs/dbraw/zinc/20/68/93/331206893.db2.gz XPBWCQHFIYANQT-INIZCTEOSA-N 0 1 272.392 2.733 20 30 CFEDMN C=C[C@@](C)(CCOC)C(=O)Nc1ccc(F)c(F)c1O ZINC000457289724 331218194 /nfs/dbraw/zinc/21/81/94/331218194.db2.gz JBASVGKINMNTKN-AWEZNQCLSA-N 0 1 285.290 2.838 20 30 CFEDMN C=CCCC[C@H](C)NC(=O)N1CCN(CC)C[C@@H]1CC ZINC000458619980 331254478 /nfs/dbraw/zinc/25/44/78/331254478.db2.gz NBWGMQABUBXMBX-GJZGRUSLSA-N 0 1 281.444 2.857 20 30 CFEDMN C=CCN(Cc1cc(=O)[nH]c(-c2ccccc2)n1)C1CC1 ZINC000459473911 331283714 /nfs/dbraw/zinc/28/37/14/331283714.db2.gz PHFJETQWCYXCDX-UHFFFAOYSA-N 0 1 281.359 3.000 20 30 CFEDMN C=CCn1cccc1C(=O)Nc1cc(C(F)(F)F)n[nH]1 ZINC000489054454 332039586 /nfs/dbraw/zinc/03/95/86/332039586.db2.gz YIQQSLCICGMQCW-UHFFFAOYSA-N 0 1 284.241 2.668 20 30 CFEDMN C=C[C@@H]1CCCCN1CC(=O)N1C[C@H](C)C[C@H](C)C1 ZINC000489432562 332051899 /nfs/dbraw/zinc/05/18/99/332051899.db2.gz GHJPMSLYTSWZSB-QLFBSQMISA-N 0 1 264.413 2.531 20 30 CFEDMN C=C[C@@H]1CCCCN1CC(=O)N(C)[C@H](C)CC(C)C ZINC000489470407 332054577 /nfs/dbraw/zinc/05/45/77/332054577.db2.gz CIAFCRMXUWAGBV-HUUCEWRRSA-N 0 1 266.429 2.920 20 30 CFEDMN CCc1ccc([C@@H](C#N)NC(=O)CN2CCC(C)CC2)cc1 ZINC000489962710 332074624 /nfs/dbraw/zinc/07/46/24/332074624.db2.gz JWOUXVQRMPLFGW-QGZVFWFLSA-N 0 1 299.418 2.662 20 30 CFEDMN C#C[C@@H](CC)NCc1cnc(NC(=O)OC(C)(C)C)s1 ZINC000491230894 332170599 /nfs/dbraw/zinc/17/05/99/332170599.db2.gz PRYJWRNIHSEDEC-JTQLQIEISA-N 0 1 295.408 2.992 20 30 CFEDMN C#CCN1CCC(C(=O)OCc2cc(C)ccc2F)CC1 ZINC000491405219 332205682 /nfs/dbraw/zinc/20/56/82/332205682.db2.gz HJBHDUBUMKKBBQ-UHFFFAOYSA-N 0 1 289.350 2.523 20 30 CFEDMN C#CCN1CCC(c2nc(-c3cc(C)cc(C)n3)no2)CC1 ZINC000491473907 332217831 /nfs/dbraw/zinc/21/78/31/332217831.db2.gz ILCBDQVEOCQWKD-UHFFFAOYSA-N 0 1 296.374 2.561 20 30 CFEDMN C#C[C@H](CCC)NC(=O)N(C)Cc1cc(C(C)(C)C)[nH]n1 ZINC000491475563 332218878 /nfs/dbraw/zinc/21/88/78/332218878.db2.gz XWLIXKFCSQTBRV-GFCCVEGCSA-N 0 1 290.411 2.651 20 30 CFEDMN C#C[C@@H](CC)NCc1cnn(Cc2ccc(F)cc2)c1 ZINC000491669893 332277234 /nfs/dbraw/zinc/27/72/34/332277234.db2.gz OEWDSRAUSWGXSN-INIZCTEOSA-N 0 1 271.339 2.572 20 30 CFEDMN C#C[C@@H](C)N(C)Cc1nc2ccc(Br)cc2[nH]1 ZINC000491677908 332282679 /nfs/dbraw/zinc/28/26/79/332282679.db2.gz RWSFYLMTPLOFDM-SECBINFHSA-N 0 1 292.180 2.779 20 30 CFEDMN C#C[C@@H](C)N(C)Cc1ccc(OC(F)F)c(F)c1 ZINC000491748776 332325918 /nfs/dbraw/zinc/32/59/18/332325918.db2.gz YPLZRPLJSYJMGF-SECBINFHSA-N 0 1 257.255 2.881 20 30 CFEDMN C#CCN(Cc1ccc(F)cc1)Cc1ccc(CO)cc1 ZINC000305862575 333001468 /nfs/dbraw/zinc/00/14/68/333001468.db2.gz YNDKAYXHALTRJP-UHFFFAOYSA-N 0 1 283.346 2.953 20 30 CFEDMN CC[C@H](C(=O)OC(C)(C)C)N1CCC(CC#N)CC1 ZINC000516902223 333085820 /nfs/dbraw/zinc/08/58/20/333085820.db2.gz JEAXBEWYEJHUFL-CYBMUJFWSA-N 0 1 266.385 2.732 20 30 CFEDMN C[C@H](CCC#N)[N@H+]1C[C@H](c2cnn(C)c2)C(C)(C)C1 ZINC000516978775 333088737 /nfs/dbraw/zinc/08/87/37/333088737.db2.gz IRDBNJUTWUVVBU-TZMCWYRMSA-N 0 1 260.385 2.538 20 30 CFEDMN C[N@H+]1CC[C@@H](C(=O)N[C@@H](C#N)c2ccc(C(C)(C)C)cc2)C1 ZINC000522138147 333248489 /nfs/dbraw/zinc/24/84/89/333248489.db2.gz GBRPRSWRGJHQQI-ZBFHGGJFSA-N 0 1 299.418 2.617 20 30 CFEDMN C=CCCCCC[N@@H+]1CCSC[C@@H]1CC(=O)[O-] ZINC000236423517 333373468 /nfs/dbraw/zinc/37/34/68/333373468.db2.gz DAMUFWFTKGOVEW-LBPRGKRZSA-N 0 1 257.399 2.625 20 30 CFEDMN C=CCCCCCN(C)C(=O)[C@@H]1Cc2ccccc2CN1 ZINC000237044949 333377275 /nfs/dbraw/zinc/37/72/75/333377275.db2.gz LHSIWWFAAAFLSH-KRWDZBQOSA-N 0 1 286.419 2.906 20 30 CFEDMN C[C@@H](C(=O)NCC1CCCCC1)N1CCC(CC#N)CC1 ZINC000543807191 333901011 /nfs/dbraw/zinc/90/10/11/333901011.db2.gz HJWHNFMAJGLBBE-AWEZNQCLSA-N 0 1 291.439 2.697 20 30 CFEDMN COc1cc2c(cc1CN1CCC(CC#N)CC1)OCO2 ZINC000546962681 334058340 /nfs/dbraw/zinc/05/83/40/334058340.db2.gz CYQZGBJRFRTREQ-UHFFFAOYSA-N 0 1 288.347 2.550 20 30 CFEDMN COCCCN(C)CC#Cc1ccccc1Cl ZINC000135005891 334111687 /nfs/dbraw/zinc/11/16/87/334111687.db2.gz HFGBAPMUFFNQPP-UHFFFAOYSA-N 0 1 251.757 2.660 20 30 CFEDMN CCOc1ccccc1OCCN[C@@H](CC)CC#N ZINC000568104693 334792637 /nfs/dbraw/zinc/79/26/37/334792637.db2.gz CBJINSVJAAGTNY-ZDUSSCGKSA-N 0 1 262.353 2.746 20 30 CFEDMN CC[C@H]1CO[C@H](C)CN1Cc1ccc(CC#N)cc1 ZINC000342688629 335185567 /nfs/dbraw/zinc/18/55/67/335185567.db2.gz BNUCIUPXKVKJQQ-CJNGLKHVSA-N 0 1 258.365 2.752 20 30 CFEDMN N#CCCNCC1(c2ccccc2Cl)CCOCC1 ZINC000580543792 335270436 /nfs/dbraw/zinc/27/04/36/335270436.db2.gz RTGOFNMGTSECKN-UHFFFAOYSA-N 0 1 278.783 2.891 20 30 CFEDMN CC(C)[C@H](NCCCSCC#N)c1nc(C2CC2)no1 ZINC000179827413 335522824 /nfs/dbraw/zinc/52/28/24/335522824.db2.gz WSIHMTYGBIZTKP-LBPRGKRZSA-N 0 1 294.424 2.881 20 30 CFEDMN Cc1ccc(NC(=O)C[C@H](C)NC[C@H](C)C#N)c(C)c1 ZINC000183833205 335908679 /nfs/dbraw/zinc/90/86/79/335908679.db2.gz VCNIUSFPYCWQPE-OCCSQVGLSA-N 0 1 273.380 2.770 20 30 CFEDMN N#Cc1c[nH]c2ccnc(-c3cc(N)ccc3F)c12 ZINC001243280810 782105664 /nfs/dbraw/zinc/10/56/64/782105664.db2.gz KCHBNSRKOMCYDK-UHFFFAOYSA-N 0 1 252.252 2.823 20 30 CFEDMN C#CCCN1CC[C@@H]1CN(C)C(=O)[C@H]1CCC=CCCC1 ZINC001085668354 782127246 /nfs/dbraw/zinc/12/72/46/782127246.db2.gz BJESVQKPOJLTPJ-DLBZAZTESA-N 0 1 288.435 2.679 20 30 CFEDMN C=CCCN1CC[C@@H]1CN(C)C(=O)c1ccc(CC)o1 ZINC001085677685 782134329 /nfs/dbraw/zinc/13/43/29/782134329.db2.gz SIUXHIFAYXQODQ-CYBMUJFWSA-N 0 1 276.380 2.564 20 30 CFEDMN C=CCCN1CC[C@@H]1CN(C)C(=O)c1ncc(Cl)s1 ZINC001085720772 782142971 /nfs/dbraw/zinc/14/29/71/782142971.db2.gz DUJXMBZKVCCSBN-SNVBAGLBSA-N 0 1 299.827 2.519 20 30 CFEDMN C=CCC[N@@H+]1CC[C@@H]1CN(C)C(=O)[C@@H]1C[C@@H]2CCCC[C@H]12 ZINC001085740050 782149831 /nfs/dbraw/zinc/14/98/31/782149831.db2.gz GIKVHSUCRKYFQS-VVLHAWIVSA-N 0 1 290.451 2.922 20 30 CFEDMN C#Cc1ccc(C(=O)N(C)C[C@@H]2CCN2CC=C(C)C)cc1 ZINC001085757387 782154137 /nfs/dbraw/zinc/15/41/37/782154137.db2.gz GYFDFUHHWHBRJL-SFHVURJKSA-N 0 1 296.414 2.780 20 30 CFEDMN CO[C@]1(C)CCCN(Cc2cc(C#N)cs2)C1 ZINC000336284237 521750159 /nfs/dbraw/zinc/75/01/59/521750159.db2.gz BBWXWLUNAPAXHY-CYBMUJFWSA-N 0 1 250.367 2.621 20 30 CFEDMN C=C(C)C[N@@H+]1CC[C@@H]1CN(C)C(=O)c1ccn(CC)c1C ZINC001085780071 782160207 /nfs/dbraw/zinc/16/02/07/782160207.db2.gz KSJDSJPLVDMXGJ-OAHLLOKOSA-N 0 1 289.423 2.539 20 30 CFEDMN C=C(C)CN1CC[C@@H]1CN(C)C(=O)c1ccn(CC)c1C ZINC001085780071 782160211 /nfs/dbraw/zinc/16/02/11/782160211.db2.gz KSJDSJPLVDMXGJ-OAHLLOKOSA-N 0 1 289.423 2.539 20 30 CFEDMN C=CCOc1ccc(CN[C@H](C)c2ccnn2C)cc1 ZINC000287634189 517337084 /nfs/dbraw/zinc/33/70/84/517337084.db2.gz UIADAOIGPNMTJP-CYBMUJFWSA-N 0 1 271.364 2.836 20 30 CFEDMN C=CCNC(=O)CN[C@H](c1ccc(F)c(F)c1)C(C)C ZINC000181606687 518893987 /nfs/dbraw/zinc/89/39/87/518893987.db2.gz HFPBXGXXRMFGPK-HNNXBMFYSA-N 0 1 282.334 2.554 20 30 CFEDMN CC(C)c1cc(C(=O)N(C)Cc2cccc(C#N)c2)n[nH]1 ZINC000052512083 519831178 /nfs/dbraw/zinc/83/11/78/519831178.db2.gz ZRZGXDSJMWVUFO-UHFFFAOYSA-N 0 1 282.347 2.677 20 30 CFEDMN CC1(C)CN(Cc2ccc(C#N)cc2F)CCCO1 ZINC000312041217 520476199 /nfs/dbraw/zinc/47/61/99/520476199.db2.gz RLHPURQQTFKOQQ-UHFFFAOYSA-N 0 1 262.328 2.698 20 30 CFEDMN C#CCCN1CC[C@H]1CN(C)C(=O)c1occc1C(C)C ZINC001085783534 782162593 /nfs/dbraw/zinc/16/25/93/782162593.db2.gz XLVKSISLNVCYIS-AWEZNQCLSA-N 0 1 288.391 2.573 20 30 CFEDMN CCN(CCC(=O)OC)Cc1ccc(C#N)cc1Cl ZINC000163659818 520992870 /nfs/dbraw/zinc/99/28/70/520992870.db2.gz KWILNWSVUDOKKQ-UHFFFAOYSA-N 0 1 280.755 2.597 20 30 CFEDMN CC[C@H](C)n1nc(N=c2s[nH]c(C)c2C#N)cc1C ZINC000361045384 522067915 /nfs/dbraw/zinc/06/79/15/522067915.db2.gz XAVKGUKWSHOJSB-QMMMGPOBSA-N 0 1 275.381 2.965 20 30 CFEDMN CC[C@@H](NCc1cc(C#N)n(C)c1)c1c(C)noc1C ZINC000191489884 522869716 /nfs/dbraw/zinc/86/97/16/522869716.db2.gz ZAFHNYBLMKZPIG-CQSZACIVSA-N 0 1 272.352 2.743 20 30 CFEDMN CN(Cc1cccc(C#N)c1F)[C@@H](CO)C(C)(C)C ZINC000340875777 523296432 /nfs/dbraw/zinc/29/64/32/523296432.db2.gz GJBKLGBUZUKCMN-ZDUSSCGKSA-N 0 1 264.344 2.536 20 30 CFEDMN CO[C@@H]1CCN(Cc2ccc(C#N)c(F)c2)[C@@H](C)C1 ZINC000336401799 523688834 /nfs/dbraw/zinc/68/88/34/523688834.db2.gz REAHQVLRPJIWKW-SMDDNHRTSA-N 0 1 262.328 2.697 20 30 CFEDMN C[C@@H](NCC(=O)NCc1ccccc1)c1ccc(C#N)cc1 ZINC000315534513 525411334 /nfs/dbraw/zinc/41/13/34/525411334.db2.gz GOTFKPGQACUTFH-CQSZACIVSA-N 0 1 293.370 2.525 20 30 CFEDMN C=C(Cl)CNCCN(CC)C(=O)/C=C(/C)CC ZINC001273362380 782163720 /nfs/dbraw/zinc/16/37/20/782163720.db2.gz CZELDBBSIBPOAZ-LUAWRHEFSA-N 0 1 258.793 2.533 20 30 CFEDMN C[C@@H](NCc1ccc(C#N)cc1)c1cncc(F)c1 ZINC000222044502 525517652 /nfs/dbraw/zinc/51/76/52/525517652.db2.gz FJKNUFZPPFPMMF-LLVKDONJSA-N 0 1 255.296 2.943 20 30 CFEDMN C[C@@H]1CC(O)C[C@@H](C)N1Cc1ccc(C#N)cc1Cl ZINC000336278869 526228789 /nfs/dbraw/zinc/22/87/89/526228789.db2.gz BFYWXFKMOZXKAW-GHMZBOCLSA-N 0 1 278.783 2.945 20 30 CFEDMN C=C(C)CN(CC)C(=O)[C@@H](C)N(C)Cc1ccccc1O ZINC000111235244 526535889 /nfs/dbraw/zinc/53/58/89/526535889.db2.gz KZJCXDQEOKFVOG-CQSZACIVSA-N 0 1 290.407 2.637 20 30 CFEDMN N#Cc1ccc(CN2CCC(CCCO)CC2)cc1F ZINC000361755724 526609793 /nfs/dbraw/zinc/60/97/93/526609793.db2.gz RNTCHZFUAVDKNU-UHFFFAOYSA-N 0 1 276.355 2.682 20 30 CFEDMN N#Cc1ccc(CN2CC[C@@H](O)CC23CCC3)cc1F ZINC000334970483 526616513 /nfs/dbraw/zinc/61/65/13/526616513.db2.gz YTVAGUFKFCKGAO-CQSZACIVSA-N 0 1 274.339 2.577 20 30 CFEDMN C=C(C)CNC(=O)[C@@H](CC)N(C)Cc1ccccc1 ZINC000355946884 526620306 /nfs/dbraw/zinc/62/03/06/526620306.db2.gz YTEBTSFHHWCOAY-OAHLLOKOSA-N 0 1 260.381 2.589 20 30 CFEDMN C=C(C)COCCNCc1nc2ccc(OC)cc2s1 ZINC000353741326 526654616 /nfs/dbraw/zinc/65/46/16/526654616.db2.gz TWURGNQBYPRDOP-UHFFFAOYSA-N 0 1 292.404 2.987 20 30 CFEDMN N#Cc1ccc2ncc(CNCc3ccsc3)n2c1 ZINC000172338643 526693461 /nfs/dbraw/zinc/69/34/61/526693461.db2.gz FXNWQJVQBYKENU-UHFFFAOYSA-N 0 1 268.345 2.557 20 30 CFEDMN N#Cc1cccc(NC(=O)CN2CCC[C@@H]3CCC[C@@H]32)c1 ZINC000087770982 526716444 /nfs/dbraw/zinc/71/64/44/526716444.db2.gz GVHFESGLGZZJEO-HOCLYGCPSA-N 0 1 283.375 2.761 20 30 CFEDMN C#CCCOc1ccc(CNCc2c(C)noc2C)cc1 ZINC000113328228 526743985 /nfs/dbraw/zinc/74/39/85/526743985.db2.gz CMHFTGJBSGCXES-UHFFFAOYSA-N 0 1 284.359 2.983 20 30 CFEDMN C=CCOCCCN1CCCC[C@H]1C(=O)OC(C)(C)C ZINC000348057857 526752957 /nfs/dbraw/zinc/75/29/57/526752957.db2.gz UGPGPHCOPGWUEY-AWEZNQCLSA-N 0 1 283.412 2.775 20 30 CFEDMN C=CCOc1ccc(CN2CCSC[C@H]2CCO)cc1 ZINC000355080833 526872297 /nfs/dbraw/zinc/87/22/97/526872297.db2.gz DWYZXMWHYDTACP-OAHLLOKOSA-N 0 1 293.432 2.551 20 30 CFEDMN C=C1CCN(C(=O)[C@@H]2CCc3[nH]c(C(C)C)nc3C2)CC1 ZINC000334614707 526896267 /nfs/dbraw/zinc/89/62/67/526896267.db2.gz FCGJSCMIRVFEFY-CYBMUJFWSA-N 0 1 287.407 2.817 20 30 CFEDMN C=C1CCN(Cc2cccc(OCCOC)c2)CC1 ZINC000353336436 526904906 /nfs/dbraw/zinc/90/49/06/526904906.db2.gz YKNXASIFGBTYAH-UHFFFAOYSA-N 0 1 261.365 2.864 20 30 CFEDMN C#CCN1CCC(c2nc(-c3ccc(OC)cc3)no2)CC1 ZINC000109531380 526937074 /nfs/dbraw/zinc/93/70/74/526937074.db2.gz RYZKXEBDIHZFCL-UHFFFAOYSA-N 0 1 297.358 2.558 20 30 CFEDMN C=CC1CCN(Cc2cc(C(=O)OCC)co2)CC1 ZINC000353664498 526979758 /nfs/dbraw/zinc/97/97/58/526979758.db2.gz XEBSYMQRBBPUPF-UHFFFAOYSA-N 0 1 263.337 2.854 20 30 CFEDMN C=CCC(C)(C)CNC(=O)[C@H]1CCCCN1CC ZINC000352546276 527013404 /nfs/dbraw/zinc/01/34/04/527013404.db2.gz SIPZPUPFBIEQRI-CYBMUJFWSA-N 0 1 252.402 2.579 20 30 CFEDMN CC(=O)c1ccc(C#N)c(NCc2n[nH]c(C(C)(C)C)n2)c1 ZINC000413421390 527226841 /nfs/dbraw/zinc/22/68/41/527226841.db2.gz WWUMCESAZCWYOP-UHFFFAOYSA-N 0 1 297.362 2.789 20 30 CFEDMN C=CCCO[C@@H](C)C(=O)Nc1nc2ccc(C)cc2[nH]1 ZINC000344483067 527386002 /nfs/dbraw/zinc/38/60/02/527386002.db2.gz LNHMPBIAMCRCPM-NSHDSACASA-N 0 1 273.336 2.791 20 30 CFEDMN CC(C)(C)CCN1CCN(c2ncc(C#N)cc2F)CC1 ZINC000413062418 527664059 /nfs/dbraw/zinc/66/40/59/527664059.db2.gz DKEMREMUSNIEJB-UHFFFAOYSA-N 0 1 290.386 2.651 20 30 CFEDMN C=C(C)CN1CC[C@@H]1CN(C)C(=O)[C@@]12C[C@@H]1CCCC2 ZINC001085803134 782170383 /nfs/dbraw/zinc/17/03/83/782170383.db2.gz IVVPSSLESAXATR-UXLLHSPISA-N 0 1 276.424 2.676 20 30 CFEDMN C=C[C@H](CC)CC(=O)N[C@@H](c1nnc[nH]1)c1ccccc1 ZINC000935270818 649893149 /nfs/dbraw/zinc/89/31/49/649893149.db2.gz GBENVDGYKZJGCF-IUODEOHRSA-N 0 1 284.363 2.613 20 30 CFEDMN Cc1ccc(C#N)cc1C(=O)Nc1nc(C2CCC2)n[nH]1 ZINC000935381071 649903298 /nfs/dbraw/zinc/90/32/98/649903298.db2.gz LSTXMNKHWOYDIJ-UHFFFAOYSA-N 0 1 281.319 2.505 20 30 CFEDMN Cc1ccc(C#N)cc1C(=O)Nc1n[nH]c(C2CCC2)n1 ZINC000935381071 649903300 /nfs/dbraw/zinc/90/33/00/649903300.db2.gz LSTXMNKHWOYDIJ-UHFFFAOYSA-N 0 1 281.319 2.505 20 30 CFEDMN Cc1nc(C)c(CN=Nc2cc(C)nc(C)n2)s1 ZINC000736430141 574052144 /nfs/dbraw/zinc/05/21/44/574052144.db2.gz OVQVABXGPSGKRT-UHFFFAOYSA-N 0 1 261.354 2.613 20 30 CFEDMN Fc1ccc(CC=CN=NC2=N[C@@H]3CCCC[C@H]3N2)cc1 ZINC000753935679 574055967 /nfs/dbraw/zinc/05/59/67/574055967.db2.gz PFPJTFJKVCXBMY-VKXDECAVSA-N 0 1 286.354 2.685 20 30 CFEDMN CC(=CN=NC1=N[C@H]2CCCC[C@H]2N1)Cc1ccccc1 ZINC000753935902 574056116 /nfs/dbraw/zinc/05/61/16/574056116.db2.gz PXFNKVLLVSOHJY-SJLHZALDSA-N 0 1 282.391 2.936 20 30 CFEDMN CCC(=NNC1=N[C@@H]2CCCC[C@@H]2N1)c1ccc(F)cc1 ZINC000753938039 574056484 /nfs/dbraw/zinc/05/64/84/574056484.db2.gz HYQMXUNTJFOWGJ-GASCZTMLSA-N 0 1 288.370 2.800 20 30 CFEDMN CC(=NNC1=N[C@H]2CCCC[C@@H]2N1)c1ccc(F)cc1C ZINC000753936843 574056536 /nfs/dbraw/zinc/05/65/36/574056536.db2.gz URTPFUWGEKUWCW-GJZGRUSLSA-N 0 1 288.370 2.718 20 30 CFEDMN CCC(=NNC1=N[C@H]2CCCC[C@@H]2N1)c1ccc(F)cc1 ZINC000753938040 574056798 /nfs/dbraw/zinc/05/67/98/574056798.db2.gz HYQMXUNTJFOWGJ-GJZGRUSLSA-N 0 1 288.370 2.800 20 30 CFEDMN CC(=NNC1=N[C@@H]2CCCC[C@@H]2N1)c1cc(F)cc(F)c1 ZINC000753938954 574057270 /nfs/dbraw/zinc/05/72/70/574057270.db2.gz NGHVGLOLEKPCKL-OKILXGFUSA-N 0 1 292.333 2.549 20 30 CFEDMN C[C@@H]1CC(N=Nc2nc(-c3ccccc3)no2)CN1C1CC1 ZINC000753960453 574059401 /nfs/dbraw/zinc/05/94/01/574059401.db2.gz SQDHKTRWLNOFTN-LLVKDONJSA-N 0 1 297.362 2.761 20 30 CFEDMN N#CC(C(=O)[C@H]1CCCOC1)c1ccc2ccccc2n1 ZINC000727952833 574074707 /nfs/dbraw/zinc/07/47/07/574074707.db2.gz SPZGYCNNHUTZBJ-KBPBESRZSA-N 0 1 280.327 2.838 20 30 CFEDMN CCOCC(=O)C(C#N)c1nc2cc(F)ccc2s1 ZINC000730421930 574081158 /nfs/dbraw/zinc/08/11/58/574081158.db2.gz RMDPOCJANMMDAZ-SECBINFHSA-N 0 1 278.308 2.648 20 30 CFEDMN C=CC[N@H+](CCc1ccccc1)C[C@H]1CCN(C(=O)[O-])C1 ZINC000738489437 574094011 /nfs/dbraw/zinc/09/40/11/574094011.db2.gz DSWOFVHJBFHJEX-MRXNPFEDSA-N 0 1 288.391 2.717 20 30 CFEDMN C#CCC(C)(C)C(=O)N[C@@H](C)c1n[nH]c([C@H](C)CC)n1 ZINC000754419691 574095274 /nfs/dbraw/zinc/09/52/74/574095274.db2.gz IDRDJCKXPXYOGB-MNOVXSKESA-N 0 1 276.384 2.545 20 30 CFEDMN COC(=O)c1occc1/C=C/C(=O)c1ccc(O)c(F)c1 ZINC000728438793 574096301 /nfs/dbraw/zinc/09/63/01/574096301.db2.gz OKWQMWMCMLTQIO-DUXPYHPUSA-N 0 1 290.246 2.807 20 30 CFEDMN COC(=O)c1occc1/C=C\C(=O)c1ccc(O)c(F)c1 ZINC000728438794 574096377 /nfs/dbraw/zinc/09/63/77/574096377.db2.gz OKWQMWMCMLTQIO-RQOWECAXSA-N 0 1 290.246 2.807 20 30 CFEDMN Cc1nc(-c2ccccc2)[nH]c1C(=O)OCCCC#N ZINC000728726275 574106338 /nfs/dbraw/zinc/10/63/38/574106338.db2.gz VOKFLTMQCQPHKS-UHFFFAOYSA-N 0 1 269.304 2.846 20 30 CFEDMN CCCCCCCCN1CC[C@@](F)(C(=O)OC)C1 ZINC000752094438 574159396 /nfs/dbraw/zinc/15/93/96/574159396.db2.gz QVYWAJZEVVGYRC-AWEZNQCLSA-N 0 1 259.365 2.934 20 30 CFEDMN c1nc2ncccn2c1CN=Nc1ccc2ccccc2n1 ZINC000755489692 574165337 /nfs/dbraw/zinc/16/53/37/574165337.db2.gz ZMTVKLXNJCDCIT-UHFFFAOYSA-N 0 1 288.314 2.724 20 30 CFEDMN C(=NN=c1ccc2ccccc2[nH]1)c1cnc2ncccn12 ZINC000755489692 574165338 /nfs/dbraw/zinc/16/53/38/574165338.db2.gz ZMTVKLXNJCDCIT-UHFFFAOYSA-N 0 1 288.314 2.724 20 30 CFEDMN FC(F)(F)c1cnc(N=NCc2cnc[nH]2)c(Cl)c1 ZINC000755490566 574165513 /nfs/dbraw/zinc/16/55/13/574165513.db2.gz GDOCZIILLOYWDA-UHFFFAOYSA-N 0 1 289.648 2.923 20 30 CFEDMN Cc1nc[nH]c1C=NNC(=S)Nc1cccc(Cl)c1 ZINC000755535408 574167546 /nfs/dbraw/zinc/16/75/46/574167546.db2.gz YRHWZHGTWNFWLZ-UHFFFAOYSA-N 0 1 293.783 2.692 20 30 CFEDMN CCCCCCCC(=O)NCCN1CCSCC1 ZINC000732777428 574170700 /nfs/dbraw/zinc/17/07/00/574170700.db2.gz LUPFPSHTMSCORN-UHFFFAOYSA-N 0 1 272.458 2.512 20 30 CFEDMN CCn1ccnc1C=NN=c1[nH]c2cc(F)c(F)cc2[nH]1 ZINC000755631150 574173404 /nfs/dbraw/zinc/17/34/04/574173404.db2.gz JQBSMLATDPLPLO-UHFFFAOYSA-N 0 1 290.277 2.504 20 30 CFEDMN Fc1ccc2[nH]cc(C=NNCCN3CCCCC3)c2c1 ZINC000747047826 574177249 /nfs/dbraw/zinc/17/72/49/574177249.db2.gz HDZUQDYSKOLFAH-UHFFFAOYSA-N 0 1 288.370 2.716 20 30 CFEDMN Cc1ccsc1C[NH2+][C@H](C(=O)[O-])c1ccc(C#N)cc1 ZINC000738798452 574185050 /nfs/dbraw/zinc/18/50/50/574185050.db2.gz KTMQLQDVKYQPKL-AWEZNQCLSA-N 0 1 286.356 2.844 20 30 CFEDMN Cc1cc[nH+]c([N-]N=Cc2cn3cccc(F)c3n2)c1 ZINC000755771785 574186881 /nfs/dbraw/zinc/18/68/81/574186881.db2.gz ZCBAHSSWOYMSMR-UHFFFAOYSA-N 0 1 269.283 2.623 20 30 CFEDMN C#CCN1CCC[C@@H]1COC(=O)c1ccc(C)cc1Cl ZINC000755780255 574187281 /nfs/dbraw/zinc/18/72/81/574187281.db2.gz PWPYZOWTEDQTQP-CYBMUJFWSA-N 0 1 291.778 2.903 20 30 CFEDMN CN1CCCc2cc(C=NO[C@@H]3CCCCO3)ccc21 ZINC000755824828 574190421 /nfs/dbraw/zinc/19/04/21/574190421.db2.gz SUSZPZHTXUMCGW-MRXNPFEDSA-N 0 1 274.364 2.946 20 30 CFEDMN CN1CCc2cc(C=NO[C@@H]3CCCCO3)ccc21 ZINC000755822562 574190454 /nfs/dbraw/zinc/19/04/54/574190454.db2.gz VOLMOAVRSZSIAR-OAHLLOKOSA-N 0 1 260.337 2.556 20 30 CFEDMN Cc1ccnc(NN=C2C(=O)Nc3c2c(F)ccc3C)c1 ZINC000755900591 574195604 /nfs/dbraw/zinc/19/56/04/574195604.db2.gz LOQUFPJFSJCCMK-UHFFFAOYSA-N 0 1 284.294 2.606 20 30 CFEDMN COc1ccc(C=NNc2cc(C)ccn2)cc1O ZINC000755904616 574195902 /nfs/dbraw/zinc/19/59/02/574195902.db2.gz ZLIHUTVSHVIUSM-UHFFFAOYSA-N 0 1 257.293 2.550 20 30 CFEDMN C#CCN(CC#C)CCc1cccc(OC(F)(F)F)c1 ZINC000747619572 574203134 /nfs/dbraw/zinc/20/31/34/574203134.db2.gz OIWWYEWAIQXYNE-UHFFFAOYSA-N 0 1 281.277 2.696 20 30 CFEDMN CC(=NN=c1cccc[nH]1)c1nnn(-c2ccccc2)c1C ZINC000747606735 574203255 /nfs/dbraw/zinc/20/32/55/574203255.db2.gz ANZPWPCMSTVNMC-UHFFFAOYSA-N 0 1 292.346 2.807 20 30 CFEDMN C[C@@H](NCc1cccc(F)n1)c1ccc(C#N)cc1 ZINC000747745209 574210310 /nfs/dbraw/zinc/21/03/10/574210310.db2.gz YLXRDNITNSNBTA-LLVKDONJSA-N 0 1 255.296 2.943 20 30 CFEDMN C[C@H]1CC(=NNCCN2CCCCC2)C[C@H](C)C1 ZINC000747752669 574210345 /nfs/dbraw/zinc/21/03/45/574210345.db2.gz ACUUSDZTFFRKND-ZIAGYGMSSA-N 0 1 251.418 2.874 20 30 CFEDMN CC(=NNc1cccc(C(F)(F)F)n1)c1cnccn1 ZINC000739422643 574213615 /nfs/dbraw/zinc/21/36/15/574213615.db2.gz ZYUBMUJWKSHXDH-UHFFFAOYSA-N 0 1 281.241 2.727 20 30 CFEDMN C(=NNc1nc2ccccc2[nH]1)c1cnn2ccccc12 ZINC000729633301 574225735 /nfs/dbraw/zinc/22/57/35/574225735.db2.gz MBNQASBUBLMUJC-UHFFFAOYSA-N 0 1 276.303 2.657 20 30 CFEDMN C#CCN1CCC[C@@H]1COC(=O)[C@H](CC)c1ccccc1 ZINC000729809604 574233078 /nfs/dbraw/zinc/23/30/78/574233078.db2.gz MRVDIPAHDSOCET-IAGOWNOFSA-N 0 1 285.387 2.821 20 30 CFEDMN C#CCN1CCC[C@@H]1COC(=O)CCCCCCC ZINC000729808492 574233293 /nfs/dbraw/zinc/23/32/93/574233293.db2.gz CIDHJDAEHRNRDU-OAHLLOKOSA-N 0 1 265.397 2.988 20 30 CFEDMN Cc1ccc([N-][NH+]=Cc2ccc(N3CCCCC3)o2)nn1 ZINC000729935791 574238279 /nfs/dbraw/zinc/23/82/79/574238279.db2.gz PZHHMOZSNZEXFF-UHFFFAOYSA-N 0 1 285.351 2.814 20 30 CFEDMN C=CCNC(=O)C(C#N)C(=O)[C@@H]1CC[C@H]2CCCC[C@@H]2C1 ZINC000756515569 574242724 /nfs/dbraw/zinc/24/27/24/574242724.db2.gz MAAAAYFWROGVPR-KBUPBQIOSA-N 0 1 288.391 2.604 20 30 CFEDMN C#CCN1CCC[C@@H]1COC(=O)[C@@H](C)c1cccc(C)c1 ZINC000756542382 574244910 /nfs/dbraw/zinc/24/49/10/574244910.db2.gz LSFBEYPCNANXAY-DOTOQJQBSA-N 0 1 285.387 2.739 20 30 CFEDMN N#CCCCC[N@@H+]1CCC[C@H]([C@@H]2CCCN2C(=O)[O-])C1 ZINC000740306351 574246043 /nfs/dbraw/zinc/24/60/43/574246043.db2.gz FJRKLLWQWPMVHW-KBPBESRZSA-N 0 1 279.384 2.535 20 30 CFEDMN C#CCN1CCC[C@@H]1COC(=O)C1(CC)CCCC1 ZINC000756552894 574246358 /nfs/dbraw/zinc/24/63/58/574246358.db2.gz LZASZDYBIGPYAN-CQSZACIVSA-N 0 1 263.381 2.598 20 30 CFEDMN CC(C)(C)c1cc(C(=O)Nc2cc(C#N)ccc2O)no1 ZINC000748410995 574251292 /nfs/dbraw/zinc/25/12/92/574251292.db2.gz RXWZMDCOMVRTNO-UHFFFAOYSA-N 0 1 285.303 2.802 20 30 CFEDMN C=CC[C@@H](CO)C[NH2+][C@@H](C)c1cc(Cl)ccc1[O-] ZINC000756788916 574263227 /nfs/dbraw/zinc/26/32/27/574263227.db2.gz YQZCBIUFOWCYNJ-WDEREUQCSA-N 0 1 269.772 2.881 20 30 CFEDMN C#CCN(CC(=O)N(C)[C@H]1CCCC[C@@H]1C)C1CCCC1 ZINC000756911725 574272737 /nfs/dbraw/zinc/27/27/37/574272737.db2.gz DJZZBUVMANGHJP-RDJZCZTQSA-N 0 1 290.451 2.901 20 30 CFEDMN C[C@@H](C(=O)OCc1ccc(C#N)cc1)N1[C@H](C)CC[C@H]1C ZINC000741015906 574277599 /nfs/dbraw/zinc/27/75/99/574277599.db2.gz FGMISYDJYJPKTJ-MCIONIFRSA-N 0 1 286.375 2.863 20 30 CFEDMN C#CCOc1ccccc1CNCc1ccc(C#N)s1 ZINC000749110797 574280006 /nfs/dbraw/zinc/28/00/06/574280006.db2.gz RHTQRHLWBPILAP-UHFFFAOYSA-N 0 1 282.368 2.922 20 30 CFEDMN CCC(CC)NN=Cc1ccc(N2CCOCC2)s1 ZINC000734365360 574283856 /nfs/dbraw/zinc/28/38/56/574283856.db2.gz XDGRKCZJARPFLX-UHFFFAOYSA-N 0 1 281.425 2.697 20 30 CFEDMN Clc1cncc(N=NCc2cnc(-c3ccccc3)[nH]2)n1 ZINC000741460030 574291177 /nfs/dbraw/zinc/29/11/77/574291177.db2.gz JYEXPVZSFLKWSD-UHFFFAOYSA-N 0 1 298.737 2.966 20 30 CFEDMN CC(=N[N-]c1[nH+]c2ccccc2n1C)c1cncs1 ZINC000734745105 574300831 /nfs/dbraw/zinc/30/08/31/574300831.db2.gz BRTNRDDXDGTWJO-UHFFFAOYSA-N 0 1 271.349 2.866 20 30 CFEDMN COCc1ccc(C=NNc2ccc(C)cn2)cc1 ZINC000741761511 574301513 /nfs/dbraw/zinc/30/15/13/574301513.db2.gz MDXDOPFSJHZVHY-UHFFFAOYSA-N 0 1 255.321 2.982 20 30 CFEDMN Cn1c2ccccc2nc1NN=Cc1c[nH]c2ncccc12 ZINC000741761977 574301581 /nfs/dbraw/zinc/30/15/81/574301581.db2.gz SQQNGZKQHOPION-UHFFFAOYSA-N 0 1 290.330 2.896 20 30 CFEDMN Cn1c2ccccc2[nH]c1=NN=Cc1c[nH]c2ncccc12 ZINC000741761977 574301582 /nfs/dbraw/zinc/30/15/82/574301582.db2.gz SQQNGZKQHOPION-UHFFFAOYSA-N 0 1 290.330 2.896 20 30 CFEDMN C#CCN(CC#CC)CCCOCCc1ccccc1 ZINC000743854828 574311084 /nfs/dbraw/zinc/31/10/84/574311084.db2.gz OLKOBYKWIAKGJJ-UHFFFAOYSA-N 0 1 269.388 2.594 20 30 CFEDMN Cc1ccc(N(CCC#N)C(=O)CN2CC[C@@H](C)C2)cc1 ZINC000725803065 574311350 /nfs/dbraw/zinc/31/13/50/574311350.db2.gz DDWPIPAPPNPSBZ-OAHLLOKOSA-N 0 1 285.391 2.584 20 30 CFEDMN C[C@@H](C(=O)C(C#N)C(=O)NC1CCCCC1)c1ccco1 ZINC000744026900 574312274 /nfs/dbraw/zinc/31/22/74/574312274.db2.gz BAMNJEOBPYYDSU-DGCLKSJQSA-N 0 1 288.347 2.541 20 30 CFEDMN C=CCCCN(C)CN1C(=O)[C@H]2CCCCC[C@H]21 ZINC000749953064 574318110 /nfs/dbraw/zinc/31/81/10/574318110.db2.gz AWXRQFPGCMMZND-UONOGXRCSA-N 0 1 250.386 2.633 20 30 CFEDMN C#CCN1CCC(N2c3ccccc3C[C@H]2C)CC1 ZINC000744206219 574319458 /nfs/dbraw/zinc/31/94/58/574319458.db2.gz CULLLQYRXPQURV-CQSZACIVSA-N 0 1 254.377 2.535 20 30 CFEDMN CC(=O)Nc1ccsc1CN=Nc1cc(C)nc(C)n1 ZINC000735406350 574323613 /nfs/dbraw/zinc/32/36/13/574323613.db2.gz ABBNGCRGSLCYGO-UHFFFAOYSA-N 0 1 289.364 2.559 20 30 CFEDMN C[C@H](C#N)Oc1ccc(CN[C@@H](C)c2cnn(C)c2)cc1 ZINC000742372758 574325753 /nfs/dbraw/zinc/32/57/53/574325753.db2.gz VUBITASGDIAWKQ-OLZOCXBDSA-N 0 1 284.363 2.562 20 30 CFEDMN Cc1ccnc(NN=Cc2cnc3ccc(C)cn23)c1 ZINC000755770039 574332989 /nfs/dbraw/zinc/33/29/89/574332989.db2.gz JCZLQLJKXZWMDN-UHFFFAOYSA-N 0 1 265.320 2.792 20 30 CFEDMN CCC(C=Nn1c(=O)c2ccccc2[nH]c1=S)CC ZINC000725857630 574333628 /nfs/dbraw/zinc/33/36/28/574333628.db2.gz AGWPQDMXYYEDNZ-UHFFFAOYSA-N 0 1 275.377 2.955 20 30 CFEDMN c1ccc(N2CCCCC2)c(CN=Nc2cccnn2)c1 ZINC000735973407 574345784 /nfs/dbraw/zinc/34/57/84/574345784.db2.gz IJYXLDUWPVEABA-UHFFFAOYSA-N 0 1 281.363 2.913 20 30 CFEDMN C[C@@H]1CCC[C@H](CC(=O)C(C#N)C(=O)N2CCCC2)C1 ZINC000750668793 574350820 /nfs/dbraw/zinc/35/08/20/574350820.db2.gz YKENBPCXJNFMQK-RDBSUJKOSA-N 0 1 276.380 2.534 20 30 CFEDMN CC(C)c1nc(C#N)c(N=NC2CN(C3CC3)C[C@H]2C)o1 ZINC000755890933 574361422 /nfs/dbraw/zinc/36/14/22/574361422.db2.gz SDXVLDFGOLBHTQ-SNVBAGLBSA-N 0 1 287.367 2.552 20 30 CFEDMN Clc1ccc2c(c1)CC(=NNCCN1CCCCC1)C2 ZINC000743438005 574364567 /nfs/dbraw/zinc/36/45/67/574364567.db2.gz IDWHMDIGBSMMGJ-UHFFFAOYSA-N 0 1 291.826 2.870 20 30 CFEDMN Cc1ncsc1C=NNc1cc(Cl)nc(C)n1 ZINC000743442293 574364818 /nfs/dbraw/zinc/36/48/18/574364818.db2.gz XYEMGIZJJYYJEH-UHFFFAOYSA-N 0 1 267.745 2.649 20 30 CFEDMN NC(=O)c1ccc(CN=Nc2cccc(F)c2F)cc1 ZINC000743443782 574364938 /nfs/dbraw/zinc/36/49/38/574364938.db2.gz QMNVQQJAVPGXSX-UHFFFAOYSA-N 0 1 275.258 2.510 20 30 CFEDMN C[C@H]1Cc2ccccc2C1=NN=c1cc[nH]c(N(C)C)n1 ZINC000751133951 574369903 /nfs/dbraw/zinc/36/99/03/574369903.db2.gz TYRMEEDOYVTKQX-NSHDSACASA-N 0 1 281.363 2.551 20 30 CFEDMN C[C@H](NN=Cc1cc(O)ccc1[N+](=O)[O-])c1ccccc1 ZINC000751130436 574369918 /nfs/dbraw/zinc/36/99/18/574369918.db2.gz KXVXJKBBZFFRAK-NSHDSACASA-N 0 1 285.303 2.985 20 30 CFEDMN COCCOc1ccccc1C=NNc1ccccn1 ZINC000751521897 574378322 /nfs/dbraw/zinc/37/83/22/574378322.db2.gz MWKSOMQCNACARP-UHFFFAOYSA-N 0 1 271.320 2.553 20 30 CFEDMN CC[C@H](C)OCC(=O)[C@H](C#N)c1nc2cccc(C)c2[nH]1 ZINC000752503541 574392157 /nfs/dbraw/zinc/39/21/57/574392157.db2.gz CGKDOZYABPRJQV-RYUDHWBXSA-N 0 1 285.347 2.863 20 30 CFEDMN Cc1cc(N=NCc2cccc(Cl)c2O)nc(C)n1 ZINC000753163233 574399646 /nfs/dbraw/zinc/39/96/46/574399646.db2.gz OCTXZTQVUQUHNF-UHFFFAOYSA-N 0 1 276.727 2.898 20 30 CFEDMN Cc1cc(NN=Cc2cccc(Cl)c2O)nc(C)n1 ZINC000753163233 574399647 /nfs/dbraw/zinc/39/96/47/574399647.db2.gz OCTXZTQVUQUHNF-UHFFFAOYSA-N 0 1 276.727 2.898 20 30 CFEDMN CC[C@@H](CC#N)NC(=O)c1ccc(CN2CCCCC2)o1 ZINC000935402573 649905056 /nfs/dbraw/zinc/90/50/56/649905056.db2.gz ZNEUWOOSMJZGKH-ZDUSSCGKSA-N 0 1 289.379 2.688 20 30 CFEDMN CCCCCCCC[NH2+]Cc1ccc(-c2nn[n-]n2)o1 ZINC000821055706 599394976 /nfs/dbraw/zinc/39/49/76/599394976.db2.gz DZGPOONEFISIQC-UHFFFAOYSA-N 0 1 277.372 2.910 20 30 CFEDMN C=C(Br)C[N@@H+](CCC(=O)[O-])Cc1ccccc1 ZINC000692456907 599812321 /nfs/dbraw/zinc/81/23/21/599812321.db2.gz WHPNKDJFZUGQIG-UHFFFAOYSA-N 0 1 298.180 2.872 20 30 CFEDMN C=C(Br)C[N@H+](CCC(=O)[O-])Cc1ccccc1 ZINC000692456907 599812323 /nfs/dbraw/zinc/81/23/23/599812323.db2.gz WHPNKDJFZUGQIG-UHFFFAOYSA-N 0 1 298.180 2.872 20 30 CFEDMN C[N@@H+](Cc1ccccc1)[C@H](C(=O)[O-])c1cccc(C#N)c1 ZINC000830852784 601309351 /nfs/dbraw/zinc/30/93/51/601309351.db2.gz VLMYMJMUEFJDST-INIZCTEOSA-N 0 1 280.327 2.816 20 30 CFEDMN C[N@@H+](CC1CCCC1)[C@H](C(=O)[O-])c1cccc(C#N)c1 ZINC000830714727 601312492 /nfs/dbraw/zinc/31/24/92/601312492.db2.gz XFRZUYPVHWGPPU-HNNXBMFYSA-N 0 1 272.348 2.806 20 30 CFEDMN C=CCCC[N@H+](C)[C@@H](C(=O)[O-])c1cccc(C#N)c1 ZINC000825671606 601318314 /nfs/dbraw/zinc/31/83/14/601318314.db2.gz WTUBISDBWPCYKO-CQSZACIVSA-N 0 1 258.321 2.582 20 30 CFEDMN CC1(C)C[N@H+]([C@@H](C(=O)[O-])c2cccc(C#N)c2)CCS1 ZINC000828074796 601328665 /nfs/dbraw/zinc/32/86/65/601328665.db2.gz RERAYLREVFWXJJ-CYBMUJFWSA-N 0 1 290.388 2.511 20 30 CFEDMN N#C[C@H](c1ccccc1)[C@H]1CCC[N@@H+]1CCCC(=O)[O-] ZINC000821320786 601429410 /nfs/dbraw/zinc/42/94/10/601429410.db2.gz YNUXDPVYVOLMNW-HUUCEWRRSA-N 0 1 272.348 2.623 20 30 CFEDMN CCCCCCCC[N@H+]1CCO[C@H](CC(=O)[O-])C1 ZINC000118018173 601459985 /nfs/dbraw/zinc/45/99/85/601459985.db2.gz LNZOLHVBAYHSRU-CYBMUJFWSA-N 0 1 257.374 2.522 20 30 CFEDMN N#Cc1ccc([C@H](C(=O)[O-])[N@H+]2CCC3(CCC3)C2)cc1 ZINC000833071850 602240588 /nfs/dbraw/zinc/24/05/88/602240588.db2.gz LVBFUDZCGJRJDK-CQSZACIVSA-N 0 1 270.332 2.560 20 30 CFEDMN CC[C@H](C)[C@@H](OC)C(=O)C(C#N)c1nc(C)cs1 ZINC000796619439 629941707 /nfs/dbraw/zinc/94/17/07/629941707.db2.gz OALIQHCGXJNEBS-PTOFAABTSA-N 0 1 266.366 2.689 20 30 CFEDMN C[N@@H+](CCCC(C)(C)C#N)CC(C)(C)CNC(=O)[O-] ZINC000828286205 603546854 /nfs/dbraw/zinc/54/68/54/603546854.db2.gz ZHSHBJGZDRFXPI-UHFFFAOYSA-N 0 1 269.389 2.542 20 30 CFEDMN C[N@@H+](Cc1cccc(C#N)c1)C1CCC(NC(=O)[O-])CC1 ZINC000828366086 603783839 /nfs/dbraw/zinc/78/38/39/603783839.db2.gz REQDDDUDQYUZAA-UHFFFAOYSA-N 0 1 287.363 2.569 20 30 CFEDMN C[C@H](NC(=O)[O-])[C@@H]1CCCC[N@H+]1CCCC(C)(C)C#N ZINC000825191719 603993509 /nfs/dbraw/zinc/99/35/09/603993509.db2.gz ALNIJGQIHINEMB-STQMWFEESA-N 0 1 281.400 2.827 20 30 CFEDMN CN(C[C@@H]1CCC[N@@H+](CCCC(C)(C)C#N)C1)C(=O)[O-] ZINC000828181860 603993961 /nfs/dbraw/zinc/99/39/61/603993961.db2.gz WQXXSYUEBLBBLV-ZDUSSCGKSA-N 0 1 281.400 2.638 20 30 CFEDMN C=CCN1CCC[C@@H](NC(=O)[C@H]2CCCC(F)(F)C2)C1 ZINC001008499904 651149205 /nfs/dbraw/zinc/14/92/05/651149205.db2.gz KNKZFXIMEJRRKL-QWHCGFSZSA-N 0 1 286.366 2.579 20 30 CFEDMN C=C(C)CN1CCC[C@@H](NC(=O)[C@@H]2C[C@H]2CCC)C1 ZINC001008460705 651149282 /nfs/dbraw/zinc/14/92/82/651149282.db2.gz UBDPWWHUWOPQCO-RBSFLKMASA-N 0 1 264.413 2.579 20 30 CFEDMN C#CCN(C(=O)[C@H]1c2cn[nH]c2CC[C@H]1C)C1CCCCC1 ZINC000900411867 620672175 /nfs/dbraw/zinc/67/21/75/620672175.db2.gz GRSJHOMCBKWVKT-CXAGYDPISA-N 0 1 299.418 2.870 20 30 CFEDMN C=C(Cl)C[NH2+]Cc1cccc2c1N(C(=O)[O-])CC2 ZINC000823485702 604387919 /nfs/dbraw/zinc/38/79/19/604387919.db2.gz IWZWLTZDICXUOQ-UHFFFAOYSA-N 0 1 266.728 2.569 20 30 CFEDMN C#C[C@@H](NC(=O)c1cccc2nc(C(F)F)[nH]c21)C(C)C ZINC000935800974 649947454 /nfs/dbraw/zinc/94/74/54/649947454.db2.gz LTQCLPBOBPATLC-SNVBAGLBSA-N 0 1 291.301 2.888 20 30 CFEDMN C=CC[N@@H+](Cc1cccc(C(=O)[O-])c1C#N)C(C)C ZINC000833376096 604604045 /nfs/dbraw/zinc/60/40/45/604604045.db2.gz NLDNCSYIFFUVMS-UHFFFAOYSA-N 0 1 258.321 2.653 20 30 CFEDMN C[C@H]1CCC[N@@H+](Cc2cccc(C(=O)[O-])c2C#N)CC1 ZINC000833614479 604604948 /nfs/dbraw/zinc/60/49/48/604604948.db2.gz NOCLAEMVJTUSNM-LBPRGKRZSA-N 0 1 272.348 2.878 20 30 CFEDMN C[C@H](C[N@@H+](CC#Cc1ccccc1Cl)C1CC1)C(=O)[O-] ZINC000833516561 604972732 /nfs/dbraw/zinc/97/27/32/604972732.db2.gz PJIVXKRLEIGYHM-GFCCVEGCSA-N 0 1 291.778 2.877 20 30 CFEDMN C#CC[C@@H]([NH2+]Cc1cc(C(=O)[O-])co1)c1ccccc1 ZINC000833361099 605134302 /nfs/dbraw/zinc/13/43/02/605134302.db2.gz WJZOSBAWJWVCJU-OAHLLOKOSA-N 0 1 269.300 2.832 20 30 CFEDMN CC(C)N(Cc1cn([C@@H]2CC[C@H](C#N)C2)nn1)C(C)C ZINC000900486236 620681670 /nfs/dbraw/zinc/68/16/70/620681670.db2.gz GQXXZSHYECKUJU-DZGCQCFKSA-N 0 1 275.400 2.762 20 30 CFEDMN CC(C)(C#N)CC[N@H+]1CCC[C@@H](C(C)(C)C(=O)[O-])C1 ZINC000135028925 605191328 /nfs/dbraw/zinc/19/13/28/605191328.db2.gz XTSQQNVPZYFDOW-GFCCVEGCSA-N 0 1 266.385 2.749 20 30 CFEDMN C#CC[N@@H+](CC)[C@H](C(=O)[O-])c1ccccc1C(F)(F)F ZINC000833364429 605265215 /nfs/dbraw/zinc/26/52/15/605265215.db2.gz MDTBIFLMMPLCKX-LBPRGKRZSA-N 0 1 285.265 2.786 20 30 CFEDMN C#CC[N@H+](CC)[C@H](C(=O)[O-])c1ccccc1C(F)(F)F ZINC000833364429 605265217 /nfs/dbraw/zinc/26/52/17/605265217.db2.gz MDTBIFLMMPLCKX-LBPRGKRZSA-N 0 1 285.265 2.786 20 30 CFEDMN C#Cc1cccc(N(C)C(=O)[C@H]2C[C@H](C)Cc3cn[nH]c32)c1 ZINC000900563300 620688707 /nfs/dbraw/zinc/68/87/07/620688707.db2.gz RWLWVJZHIFYIQF-WBMJQRKESA-N 0 1 293.370 2.720 20 30 CFEDMN CCc1ccc([C@@H](C#N)NC(=O)[C@H]2CCCN2C(C)C)cc1 ZINC000935994529 649970667 /nfs/dbraw/zinc/97/06/67/649970667.db2.gz YUQAXKWOVMUMFJ-IAGOWNOFSA-N 0 1 299.418 2.803 20 30 CFEDMN CCc1ccc([C@H](C#N)NC(=O)[C@H]2CCCN2C(C)C)cc1 ZINC000935994515 649970515 /nfs/dbraw/zinc/97/05/15/649970515.db2.gz YUQAXKWOVMUMFJ-DLBZAZTESA-N 0 1 299.418 2.803 20 30 CFEDMN C#CCCN1CCCN(C(=O)c2ccc3occc3c2)CC1 ZINC000981218926 613005946 /nfs/dbraw/zinc/00/59/46/613005946.db2.gz YDBMIYNQUOJZTN-UHFFFAOYSA-N 0 1 296.370 2.604 20 30 CFEDMN C#CCCN1CCCN(C(=O)c2csc(Cl)c2)CC1 ZINC000982087091 613007003 /nfs/dbraw/zinc/00/70/03/613007003.db2.gz TZPBYBXOIQICLL-UHFFFAOYSA-N 0 1 296.823 2.573 20 30 CFEDMN C#CCCN1CC[C@@H](C)[C@@H](NC(=O)c2cc(C)cs2)C1 ZINC000965999937 613013886 /nfs/dbraw/zinc/01/38/86/613013886.db2.gz IRZDGLDFEJOVOI-KGLIPLIRSA-N 0 1 290.432 2.520 20 30 CFEDMN C#CCN(C)[C@@H]1CCN(C(=O)CC2CCC(C)(C)CC2)C1 ZINC000980564340 613080347 /nfs/dbraw/zinc/08/03/47/613080347.db2.gz KLTGKDSMYDOZTQ-MRXNPFEDSA-N 0 1 290.451 2.759 20 30 CFEDMN C#CCN(C)[C@@H]1CCN(C(=O)CC2CCCCCC2)C1 ZINC000972432882 613080356 /nfs/dbraw/zinc/08/03/56/613080356.db2.gz IBMNDYRYIXJSMP-MRXNPFEDSA-N 0 1 276.424 2.513 20 30 CFEDMN C#CCN(C)[C@@H]1CCN(C(=O)C[C@@H]2CCCCC2(C)C)C1 ZINC000980566194 613081180 /nfs/dbraw/zinc/08/11/80/613081180.db2.gz JCDJSUHIJMPYHB-JKSUJKDBSA-N 0 1 290.451 2.759 20 30 CFEDMN C#CCN(C)[C@@H]1CCN(C(=O)c2ccc(C(C)C)cc2)C1 ZINC000972790144 613085341 /nfs/dbraw/zinc/08/53/41/613085341.db2.gz SSBGKVGWMDMOAG-QGZVFWFLSA-N 0 1 284.403 2.590 20 30 CFEDMN C#CCN(C)[C@H]1CCN(C(=O)c2cccc(C(C)(C)C)c2)C1 ZINC000972577256 613095279 /nfs/dbraw/zinc/09/52/79/613095279.db2.gz BOQKSCFCHBLFLR-KRWDZBQOSA-N 0 1 298.430 2.764 20 30 CFEDMN C#CCN(C)[C@H]1CCN(C(=O)c2ccccc2CC(C)C)C1 ZINC000980514744 613095768 /nfs/dbraw/zinc/09/57/68/613095768.db2.gz GINWSWRBLZEYLY-KRWDZBQOSA-N 0 1 298.430 2.665 20 30 CFEDMN C#CCN1CCCCC[C@H]1CNC(=O)c1cccc(C)c1C ZINC000969136791 613149833 /nfs/dbraw/zinc/14/98/33/613149833.db2.gz PXYRSXLUDLJFEY-KRWDZBQOSA-N 0 1 298.430 2.911 20 30 CFEDMN C#CCN1CC[C@@H](NC(=O)[C@@H]2CCC(C)(C)C2)C(C)(C)C1 ZINC000941008417 613228695 /nfs/dbraw/zinc/22/86/95/613228695.db2.gz PKKUBFNLLJTWAS-HUUCEWRRSA-N 0 1 290.451 2.663 20 30 CFEDMN C#CCN1CC[C@@H](NC(=O)c2cc(C)c(C)s2)C[C@H]1C ZINC000948011711 613232332 /nfs/dbraw/zinc/23/23/32/613232332.db2.gz KESIBDHKMKKNLS-TZMCWYRMSA-N 0 1 290.432 2.581 20 30 CFEDMN C#CCN1CC[C@@H](NC(=O)c2ccc(C)c(C)c2)C(C)(C)C1 ZINC000941198645 613235132 /nfs/dbraw/zinc/23/51/32/613235132.db2.gz ARJJYSUJEPRLTM-QGZVFWFLSA-N 0 1 298.430 2.767 20 30 CFEDMN C=C(C)CCN1CC(N(CC)C(=O)[C@@H]2CC[C@H](F)C2)C1 ZINC000951386390 613245163 /nfs/dbraw/zinc/24/51/63/613245163.db2.gz AERPFHYOCCMTGL-KGLIPLIRSA-N 0 1 282.403 2.624 20 30 CFEDMN C=C(C)CCN1CCN(C(=O)C(C)(C)C(=C)C)CC1 ZINC000949627632 613256915 /nfs/dbraw/zinc/25/69/15/613256915.db2.gz KYCQGDLKJVLCBU-UHFFFAOYSA-N 0 1 264.413 2.699 20 30 CFEDMN C=C(C)CCN1CCN(C(=O)[C@@H](F)c2ccccc2)CC1 ZINC000950879782 613258980 /nfs/dbraw/zinc/25/89/80/613258980.db2.gz CRTQBPALVJMEHK-INIZCTEOSA-N 0 1 290.382 2.808 20 30 CFEDMN C=C(C)CCN1CCN(C(=O)[C@@H]2CCC[C@H]3C[C@H]32)CC1 ZINC000948973475 613259079 /nfs/dbraw/zinc/25/90/79/613259079.db2.gz VXFFGKHCVLQAST-ARFHVFGLSA-N 0 1 276.424 2.533 20 30 CFEDMN C=C(C)CCN1CCN(C(=O)[C@@H]2CCC(C)(C)C2)CC1 ZINC000950360213 613259112 /nfs/dbraw/zinc/25/91/12/613259112.db2.gz NEQOOOAORTXEAG-OAHLLOKOSA-N 0 1 278.440 2.923 20 30 CFEDMN C=C(C)CCN1CCN(C(=O)[C@]2(C)C[C@H]3C[C@H]3C2)CC1 ZINC000949457803 613259872 /nfs/dbraw/zinc/25/98/72/613259872.db2.gz UREJARWQUQPLBK-SCAQPMJSSA-N 0 1 276.424 2.533 20 30 CFEDMN C=C(C)CCN1CCN(C(=O)[C@@]23C[C@@H]2CCCC3)CC1 ZINC000950377506 613261051 /nfs/dbraw/zinc/26/10/51/613261051.db2.gz DYOILUPFCCWADX-RDJZCZTQSA-N 0 1 276.424 2.677 20 30 CFEDMN C=C(C)CCN1CCN(C(=O)c2ccn(CC)c2C)CC1 ZINC000949796496 613261571 /nfs/dbraw/zinc/26/15/71/613261571.db2.gz XXSQSTLWYXLGQQ-UHFFFAOYSA-N 0 1 289.423 2.540 20 30 CFEDMN C=C(C)CCN1CCN(C(=O)c2nccc3occc32)CC1 ZINC000949413633 613262452 /nfs/dbraw/zinc/26/24/52/613262452.db2.gz GDHUBBYXTLMMFE-UHFFFAOYSA-N 0 1 299.374 2.552 20 30 CFEDMN C#CCN1CC[C@H](NC(=O)c2cc(C)ccc2C)C(C)(C)C1 ZINC000941183749 613265796 /nfs/dbraw/zinc/26/57/96/613265796.db2.gz HLRYQUBWDAWCJX-KRWDZBQOSA-N 0 1 298.430 2.767 20 30 CFEDMN C#CCN1CC[C@H](NC(=O)c2cscc2Cl)C[C@@H]1C ZINC000947427255 613277376 /nfs/dbraw/zinc/27/73/76/613277376.db2.gz YXZDQWATSSCAKH-QWRGUYRKSA-N 0 1 296.823 2.617 20 30 CFEDMN C=C(C)CN1CC([C@@H](C)NC(=O)c2cc(C)cs2)C1 ZINC000969628838 613299830 /nfs/dbraw/zinc/29/98/30/613299830.db2.gz VOIJMRWJISZRNV-GFCCVEGCSA-N 0 1 278.421 2.683 20 30 CFEDMN C=C(C)CN1CCCN(C(=O)[C@@H]2CCC[C@@H]3C[C@@H]32)CC1 ZINC000981490678 613309729 /nfs/dbraw/zinc/30/97/29/613309729.db2.gz MGABSBCZYDSTGE-OAGGEKHMSA-N 0 1 276.424 2.533 20 30 CFEDMN C=C(C)CN1CCCN(C(=O)[C@@H]2C[C@@]2(C)CC)CC1 ZINC000983411767 613310342 /nfs/dbraw/zinc/31/03/42/613310342.db2.gz NGEQQJDPNLZWPC-GOEBONIOSA-N 0 1 264.413 2.533 20 30 CFEDMN C=C(C)CN1CCCN(C(=O)[C@H]2C[C@@H]2c2ccccc2)CC1 ZINC000982100431 613311178 /nfs/dbraw/zinc/31/11/78/613311178.db2.gz KVKULTGPKTVILX-MSOLQXFVSA-N 0 1 298.430 2.901 20 30 CFEDMN C=C(C)CN1CC[C@@H](C)[C@@H](NC(=O)c2ccoc2CC)C1 ZINC000965973739 613324490 /nfs/dbraw/zinc/32/44/90/613324490.db2.gz FTJRRBMCDBBKDE-HIFRSBDPSA-N 0 1 290.407 2.858 20 30 CFEDMN C=C(C)CN1CC[C@@H](C)[C@H](NC(=O)c2ccc(Cl)o2)C1 ZINC000965157820 613326183 /nfs/dbraw/zinc/32/61/83/613326183.db2.gz YQARVFCXOQCKMW-VXGBXAGGSA-N 0 1 296.798 2.949 20 30 CFEDMN C=C(C)CN1CC[C@H](C)[C@@H](NC(=O)c2occc2CC)C1 ZINC000968255379 613333663 /nfs/dbraw/zinc/33/36/63/613333663.db2.gz QYLMJTYKOADDDX-ZFWWWQNUSA-N 0 1 290.407 2.858 20 30 CFEDMN C=C(C)CN1CC[C@H](C)[C@H](NC(=O)c2cc(C)co2)C1 ZINC000967892026 613333899 /nfs/dbraw/zinc/33/38/99/613333899.db2.gz BQNTWQUMWMUPMT-UONOGXRCSA-N 0 1 276.380 2.604 20 30 CFEDMN C=C(C)CN1CC[C@H](C)[C@H](NC(=O)c2ccc(Cl)o2)C1 ZINC000965157816 613334160 /nfs/dbraw/zinc/33/41/60/613334160.db2.gz YQARVFCXOQCKMW-NWDGAFQWSA-N 0 1 296.798 2.949 20 30 CFEDMN C=C(C)CN1CC[C@H](C)[C@H](NC(=O)c2ccoc2CC)C1 ZINC000965973738 613334287 /nfs/dbraw/zinc/33/42/87/613334287.db2.gz FTJRRBMCDBBKDE-DZGCQCFKSA-N 0 1 290.407 2.858 20 30 CFEDMN C=C(C)CN1C[C@@H](NC(=O)C2(F)CCCC2)C(C)(C)C1 ZINC000974745295 613337681 /nfs/dbraw/zinc/33/76/81/613337681.db2.gz LRVKPHORIOEVGW-CYBMUJFWSA-N 0 1 282.403 2.671 20 30 CFEDMN C=C(C)CN1C[C@@H](NC(=O)c2cccs2)C(C)(C)C1 ZINC000972770946 613338384 /nfs/dbraw/zinc/33/83/84/613338384.db2.gz BNIPPXACKVVKGM-CYBMUJFWSA-N 0 1 278.421 2.764 20 30 CFEDMN C=C(C)CN1C[C@@H](NC(=O)c2occc2C)C(C)(C)C1 ZINC000972811641 613338779 /nfs/dbraw/zinc/33/87/79/613338779.db2.gz LEYFDFAELOKPST-CYBMUJFWSA-N 0 1 276.380 2.604 20 30 CFEDMN C=C(C)CN1C[C@H](NC(=O)c2cc(C)co2)C(C)(C)C1 ZINC000974925051 613342065 /nfs/dbraw/zinc/34/20/65/613342065.db2.gz AHOBTQZEEIFNPS-AWEZNQCLSA-N 0 1 276.380 2.604 20 30 CFEDMN C=C(C)CN1C[C@H](NC(=O)c2cocc2C)C(C)(C)C1 ZINC000974914003 613342571 /nfs/dbraw/zinc/34/25/71/613342571.db2.gz PJJCKYWZAZOKAN-AWEZNQCLSA-N 0 1 276.380 2.604 20 30 CFEDMN C=C(Cl)CN1CCC[C@@H](N(C)C(=O)c2ccc[nH]2)CC1 ZINC000948181308 613374522 /nfs/dbraw/zinc/37/45/22/613374522.db2.gz KGIZQNICHXRXGT-CYBMUJFWSA-N 0 1 295.814 2.694 20 30 CFEDMN C=C(Cl)CN1CC[C@@H]([C@@H]2CCCN(C(=O)C(C)C)C2)C1 ZINC000961135150 613377581 /nfs/dbraw/zinc/37/75/81/613377581.db2.gz IXOSDPADACMOMU-HUUCEWRRSA-N 0 1 298.858 2.955 20 30 CFEDMN C=C(Cl)CN[C@@H]1CCN(C(=O)CC(C2CC2)C2CC2)C1 ZINC000970810230 613384664 /nfs/dbraw/zinc/38/46/64/613384664.db2.gz RAFRTLOZLRKXCQ-CQSZACIVSA-N 0 1 296.842 2.756 20 30 CFEDMN C=C(Cl)CN[C@@H]1CCN(C(=O)[C@@H](C)c2ccsc2)C1 ZINC000969922622 613385102 /nfs/dbraw/zinc/38/51/02/613385102.db2.gz GOZKCCQPPHJUGR-WCQYABFASA-N 0 1 298.839 2.795 20 30 CFEDMN C=C(Cl)CN[C@@H]1CN(C(=O)c2ccc(C)cc2)C[C@H]1C ZINC000939602743 613386545 /nfs/dbraw/zinc/38/65/45/613386545.db2.gz PEJRRRPJNAALIV-IUODEOHRSA-N 0 1 292.810 2.798 20 30 CFEDMN C=C(Cl)CN[C@H]1CN(C(=O)C2CCC(=C)CC2)C[C@@H]1C ZINC000939049440 613386838 /nfs/dbraw/zinc/38/68/38/613386838.db2.gz LHGHDPSDOGSDIB-WFASDCNBSA-N 0 1 296.842 2.922 20 30 CFEDMN C=C1CCC(C(=O)N[C@H]2CCN(CCF)C[C@H]2C)CC1 ZINC000942600171 613412797 /nfs/dbraw/zinc/41/27/97/613412797.db2.gz LWNMNSPOHLXYOR-HIFRSBDPSA-N 0 1 282.403 2.529 20 30 CFEDMN C=C[C@@](C)(CC)C(=O)N1CCN(C[C@H](C)CC)CC1 ZINC000950051839 613474004 /nfs/dbraw/zinc/47/40/04/613474004.db2.gz WSYOQQYYYZXDBC-ZBFHGGJFSA-N 0 1 266.429 2.779 20 30 CFEDMN C=C[C@@](C)(CC)C(=O)N1CCN(CC2CCC2)CC1 ZINC000950051815 613474027 /nfs/dbraw/zinc/47/40/27/613474027.db2.gz VXCSANBBHPPIMT-INIZCTEOSA-N 0 1 264.413 2.533 20 30 CFEDMN C=C[C@H](C(=O)N1CCN(CC2CCC2)CC1)c1ccccc1 ZINC000957743887 613481640 /nfs/dbraw/zinc/48/16/40/613481640.db2.gz BIDXISSJQDWRKQ-SFHVURJKSA-N 0 1 298.430 2.901 20 30 CFEDMN C=CCCN1CCN(C(=O)C2CC(c3ccccc3)C2)CC1 ZINC000957885308 613502000 /nfs/dbraw/zinc/50/20/00/613502000.db2.gz KXRTXMBEMFQRJT-UHFFFAOYSA-N 0 1 298.430 2.901 20 30 CFEDMN C=CCCN1CCN(C(=O)C23CCC(CC2)CC3)CC1 ZINC000957720843 613502468 /nfs/dbraw/zinc/50/24/68/613502468.db2.gz LVABZIYILINRHS-UHFFFAOYSA-N 0 1 276.424 2.677 20 30 CFEDMN C=CCCN1CCN(C(=O)CC2(c3ccccc3)CC2)CC1 ZINC000948683120 613502696 /nfs/dbraw/zinc/50/26/96/613502696.db2.gz VBDMNPKSAUGRTI-UHFFFAOYSA-N 0 1 298.430 2.829 20 30 CFEDMN C=CCCN1CCN(C(=O)[C@@]2(C)CCC[C@H]2C)CC1 ZINC000950095337 613507025 /nfs/dbraw/zinc/50/70/25/613507025.db2.gz NQNUNSYQYUFUGI-ZBFHGGJFSA-N 0 1 264.413 2.533 20 30 CFEDMN C=CCCN1CCN(C(=O)[C@]2(C)CCC[C@H]2C)CC1 ZINC000950095334 613509225 /nfs/dbraw/zinc/50/92/25/613509225.db2.gz NQNUNSYQYUFUGI-GDBMZVCRSA-N 0 1 264.413 2.533 20 30 CFEDMN C=CCCN1CCN(C(=O)c2cc(Cl)ccc2C)CC1 ZINC000952301772 613509445 /nfs/dbraw/zinc/50/94/45/613509445.db2.gz JERDKEOAEZGKMJ-UHFFFAOYSA-N 0 1 292.810 2.982 20 30 CFEDMN C=CCCN1CCN(C(=O)c2ccccc2CC)CC1 ZINC000949922211 613511153 /nfs/dbraw/zinc/51/11/53/613511153.db2.gz ZDKOZNGBHIPUHI-UHFFFAOYSA-N 0 1 272.392 2.583 20 30 CFEDMN C=CCCN1CCN(C(=O)c2ccn(C(C)C)c2C)CC1 ZINC000949796034 613511411 /nfs/dbraw/zinc/51/14/11/613511411.db2.gz MSMTXJYOYYXFSL-UHFFFAOYSA-N 0 1 289.423 2.711 20 30 CFEDMN CC#CCN1CCCC2(CN(C(=O)C(C)(C)C(C)C)C2)C1 ZINC000981791118 613541255 /nfs/dbraw/zinc/54/12/55/613541255.db2.gz HSRGTGZCHHXNBT-UHFFFAOYSA-N 0 1 290.451 2.616 20 30 CFEDMN CC#CCN1CC[C@@H](C)[C@@H](NC(=O)C2CCCCCC2)C1 ZINC000965479703 613571637 /nfs/dbraw/zinc/57/16/37/613571637.db2.gz WDUPWFODWGYNBL-WBVHZDCISA-N 0 1 290.451 2.807 20 30 CFEDMN CC#CCN1CC[C@@H](C)[C@@H](NC(=O)c2cccc(C)c2C)C1 ZINC000968607390 613572387 /nfs/dbraw/zinc/57/23/87/613572387.db2.gz SQFPNBXILVIGOM-QAPCUYQASA-N 0 1 298.430 2.767 20 30 CFEDMN CC#CCN1CC[C@@H](C)[C@H](NC(=O)CC2CCCCC2)C1 ZINC000964770885 613574145 /nfs/dbraw/zinc/57/41/45/613574145.db2.gz JLODNXAJYLUQSJ-NVXWUHKLSA-N 0 1 290.451 2.807 20 30 CFEDMN CC#CCN1CC[C@H](C)[C@@H](NC(=O)[C@H]2CC[C@H](C)CC2)C1 ZINC000968566617 613591663 /nfs/dbraw/zinc/59/16/63/613591663.db2.gz VJNOYJBNYRIZSY-QAETUUGQSA-N 0 1 290.451 2.663 20 30 CFEDMN CC#CCN1CC[C@H](C)[C@H](NC(=O)c2ccccc2CC)C1 ZINC000968105271 613594838 /nfs/dbraw/zinc/59/48/38/613594838.db2.gz JDBYMMZQANOOQZ-MAUKXSAKSA-N 0 1 298.430 2.713 20 30 CFEDMN C=CCN1CC([C@@H](C)NC(=O)c2cc(F)cc(Cl)c2)C1 ZINC000970485980 613664598 /nfs/dbraw/zinc/66/45/98/613664598.db2.gz JETUNKODXAIIAW-SNVBAGLBSA-N 0 1 296.773 2.715 20 30 CFEDMN C=CCN1CC([C@@H](C)NC(=O)c2cc3cccc(C)c3o2)C1 ZINC000970928135 613664605 /nfs/dbraw/zinc/66/46/05/613664605.db2.gz JONKZODOQHSJBH-CYBMUJFWSA-N 0 1 298.386 2.977 20 30 CFEDMN C=CCN1CC([C@H](C)NC(=O)[C@@H]2CCCC3(CC3)C2)C1 ZINC000969664293 613668797 /nfs/dbraw/zinc/66/87/97/613668797.db2.gz PDBDVCYCCUZNMO-UONOGXRCSA-N 0 1 276.424 2.579 20 30 CFEDMN C=CCN1CC([C@H](C)NC(=O)c2c(C)oc3ccccc32)C1 ZINC000969734492 613670600 /nfs/dbraw/zinc/67/06/00/613670600.db2.gz POJFCRVGVBAECL-LBPRGKRZSA-N 0 1 298.386 2.977 20 30 CFEDMN C=CCN1CC([C@H](C)NC(=O)c2cc3cc(C)ccc3[nH]2)C1 ZINC000970250171 613671236 /nfs/dbraw/zinc/67/12/36/613671236.db2.gz KIVIKFHMVGUATI-ZDUSSCGKSA-N 0 1 297.402 2.712 20 30 CFEDMN C=CCN1CC([C@H](C)NC(=O)c2ccc(C)c(C)c2)C1 ZINC000970836902 613671466 /nfs/dbraw/zinc/67/14/66/613671466.db2.gz BICMPKMHAIYEEZ-AWEZNQCLSA-N 0 1 272.392 2.540 20 30 CFEDMN C=CCN1CC([C@H](C)NC(=O)c2ccsc2Cl)C1 ZINC000970527729 613672651 /nfs/dbraw/zinc/67/26/51/613672651.db2.gz ZGKSGPMVYVFCBH-VIFPVBQESA-N 0 1 284.812 2.638 20 30 CFEDMN C=CCN1CC([C@H](C)NC(=O)c2scc(C)c2Cl)C1 ZINC000969740472 613674341 /nfs/dbraw/zinc/67/43/41/613674341.db2.gz WXMWYWJGKQDJIU-JTQLQIEISA-N 0 1 298.839 2.946 20 30 CFEDMN C=CCN1CCCN(C(=O)C(C)(C)C2CCC2)CC1 ZINC000981692465 613687802 /nfs/dbraw/zinc/68/78/02/613687802.db2.gz CESQQDIXCARTSH-UHFFFAOYSA-N 0 1 264.413 2.533 20 30 CFEDMN C=CCN1CCCN(C(=O)C[C@@H]2CCC(F)(F)C2)CC1 ZINC000981295231 613689450 /nfs/dbraw/zinc/68/94/50/613689450.db2.gz AWZUTSMCLUXZHE-ZDUSSCGKSA-N 0 1 286.366 2.532 20 30 CFEDMN C=CCN1CCCN(C(=O)C[C@H]2CCC(F)(F)C2)CC1 ZINC000981295230 613689985 /nfs/dbraw/zinc/68/99/85/613689985.db2.gz AWZUTSMCLUXZHE-CYBMUJFWSA-N 0 1 286.366 2.532 20 30 CFEDMN C=CCN1CCCN(C(=O)[C@@H]2CCCC2(C)C)CC1 ZINC000981784692 613691293 /nfs/dbraw/zinc/69/12/93/613691293.db2.gz VHSKJVZOHXXWHS-AWEZNQCLSA-N 0 1 264.413 2.533 20 30 CFEDMN C=CCN1CCCN(C(=O)[C@@H]2CCCc3ccccc32)CC1 ZINC000981456401 613691860 /nfs/dbraw/zinc/69/18/60/613691860.db2.gz AYGZIIFNQFIQFF-GOSISDBHSA-N 0 1 298.430 2.827 20 30 CFEDMN C=CCN1CCCN(C(=O)[C@H]2[C@@H]3CCCCCC[C@@H]32)CC1 ZINC000982025123 613692309 /nfs/dbraw/zinc/69/23/09/613692309.db2.gz YILZXOSIDDGUAG-FVQHAEBGSA-N 0 1 290.451 2.923 20 30 CFEDMN C=CCN1CCCN(C(=O)[C@H]2CCCCC2(F)F)CC1 ZINC000981688497 613693871 /nfs/dbraw/zinc/69/38/71/613693871.db2.gz YNGQIXIETQYBJU-CYBMUJFWSA-N 0 1 286.366 2.532 20 30 CFEDMN C=CC[N@@H+]1CCC[C@H](N(C)C(=O)c2ccccc2O)CC1 ZINC000948200589 613705102 /nfs/dbraw/zinc/70/51/02/613705102.db2.gz MCFLKADEOYDFPZ-AWEZNQCLSA-N 0 1 288.391 2.505 20 30 CFEDMN C=CCN1CC[C@@H](C)[C@@H](NC(=O)c2cc(F)ccc2C)C1 ZINC000967524070 613729820 /nfs/dbraw/zinc/72/98/20/613729820.db2.gz LBMWUOHQWAOVNJ-CJNGLKHVSA-N 0 1 290.382 2.760 20 30 CFEDMN C=CCN1CC[C@@H](C)[C@@H](NC(=O)c2ccc3c(c2)CCC3)C1 ZINC000968634925 613730034 /nfs/dbraw/zinc/73/00/34/613730034.db2.gz BYQXKCCWEBUUHP-KDOFPFPSSA-N 0 1 298.430 2.802 20 30 CFEDMN C=CCN1CC[C@@H](C)[C@H](NC(=O)C2(C3CCC3)CCC2)C1 ZINC000967497787 613732097 /nfs/dbraw/zinc/73/20/97/613732097.db2.gz OBESCBJZVFPKGX-GDBMZVCRSA-N 0 1 290.451 2.969 20 30 CFEDMN C=CCN1CC[C@@H](C)[C@H](NC(=O)CC2CC(C)(C)C2)C1 ZINC000967993758 613733019 /nfs/dbraw/zinc/73/30/19/613733019.db2.gz LXRNVFSDEUWUKB-UKRRQHHQSA-N 0 1 278.440 2.825 20 30 CFEDMN C=CCN1CC[C@@H](C)[C@H](NC(=O)C2CCC=CCC2)C1 ZINC000968661410 613733144 /nfs/dbraw/zinc/73/31/44/613733144.db2.gz ZNLMWRHZEHJXLH-GDBMZVCRSA-N 0 1 276.424 2.745 20 30 CFEDMN C=CCN1CC[C@H](C)[C@@H](NC(=O)c2cc(F)ccc2F)C1 ZINC000966723679 613768671 /nfs/dbraw/zinc/76/86/71/613768671.db2.gz ONCMLEKXUJFPSL-NHYWBVRUSA-N 0 1 294.345 2.591 20 30 CFEDMN C=CCN1CC[C@H](C)[C@@H](NC(=O)c2ccc(CC)cc2)C1 ZINC000968607087 613768680 /nfs/dbraw/zinc/76/86/80/613768680.db2.gz ORCJZOBAYXHHQO-YOEHRIQHSA-N 0 1 286.419 2.875 20 30 CFEDMN C=CCN1CC[C@H](C)[C@@H](NC(=O)c2ccc(CF)cc2)C1 ZINC000968687580 613768772 /nfs/dbraw/zinc/76/87/72/613768772.db2.gz DBUIZLARWPEDAZ-BBRMVZONSA-N 0 1 290.382 2.782 20 30 CFEDMN C=CCN1CC[C@H](C)[C@@H](NC(=O)c2cccc(F)c2C)C1 ZINC000966240858 613769675 /nfs/dbraw/zinc/76/96/75/613769675.db2.gz ZNJLNCLFAUXDDS-LRDDRELGSA-N 0 1 290.382 2.760 20 30 CFEDMN C=CCN1CC[C@H](C)[C@H](NC(=O)c2cccc3[nH]ccc32)C1 ZINC000968345680 613773919 /nfs/dbraw/zinc/77/39/19/613773919.db2.gz NZWRYEXLHBKPDX-SUMWQHHRSA-N 0 1 297.402 2.794 20 30 CFEDMN C=CCN1CC[C@H](C)[C@H](NC(=O)c2ccc3c(c2)CCC3)C1 ZINC000968634924 613774284 /nfs/dbraw/zinc/77/42/84/613774284.db2.gz BYQXKCCWEBUUHP-KBXCAEBGSA-N 0 1 298.430 2.802 20 30 CFEDMN C=CCN1C[C@@H](NC(=O)c2ccccc2C)C(C)(C)C1 ZINC000972769325 613810706 /nfs/dbraw/zinc/81/07/06/613810706.db2.gz MSFSOGTWFYQSRQ-OAHLLOKOSA-N 0 1 272.392 2.621 20 30 CFEDMN C=CCN1C[C@@H](NC(=O)c2ccoc2Cl)C(C)(C)C1 ZINC000974502215 613811139 /nfs/dbraw/zinc/81/11/39/613811139.db2.gz ZTJBTVNZMZHQNR-LLVKDONJSA-N 0 1 282.771 2.559 20 30 CFEDMN C=CCN1C[C@H](NC(=O)[C@H]2CC[C@H](C)CC2)C(C)(C)C1 ZINC000977501965 613827619 /nfs/dbraw/zinc/82/76/19/613827619.db2.gz NOAIHSPQFPHATI-KKUMJFAQSA-N 0 1 278.440 2.825 20 30 CFEDMN C=CCN1C[C@H](NC(=O)c2ccsc2C)C(C)(C)C1 ZINC000974565820 613829581 /nfs/dbraw/zinc/82/95/81/613829581.db2.gz YIGUWVASQFFXSZ-ZDUSSCGKSA-N 0 1 278.421 2.683 20 30 CFEDMN C=CCN1C[C@H](NC(=O)c2ccoc2Cl)C(C)(C)C1 ZINC000974502218 613829607 /nfs/dbraw/zinc/82/96/07/613829607.db2.gz ZTJBTVNZMZHQNR-NSHDSACASA-N 0 1 282.771 2.559 20 30 CFEDMN CC(C)C(=O)N[C@H]1CCN(CC#Cc2ccccc2)[C@@H](C)C1 ZINC000947069728 613954362 /nfs/dbraw/zinc/95/43/62/613954362.db2.gz BILXMAIYMNQALQ-WMZOPIPTSA-N 0 1 298.430 2.663 20 30 CFEDMN Cn1cc([C@@H]2CSCCCN2CC2(CC#N)CC2)cn1 ZINC000933976555 617854158 /nfs/dbraw/zinc/85/41/58/617854158.db2.gz UPZHJLCKMOJERK-AWEZNQCLSA-N 0 1 290.436 2.594 20 30 CFEDMN N#Cc1ccc(O)c(NC(=O)/C=C\c2ccc(Cl)nc2)c1 ZINC000255470622 617963802 /nfs/dbraw/zinc/96/38/02/617963802.db2.gz CCUPGLGVVOICNA-UTCJRWHESA-N 0 1 299.717 2.964 20 30 CFEDMN N#CC(C(=O)NCc1ccccc1)C(=O)C1CCCCC1 ZINC000049486092 617606306 /nfs/dbraw/zinc/60/63/06/617606306.db2.gz QSQBCFNQPSZYAD-HNNXBMFYSA-N 0 1 284.359 2.592 20 30 CFEDMN C=CC[C@@H]1CCN1C(=O)[C@H](c1ccccc1)N(C)CC ZINC000890560253 617651673 /nfs/dbraw/zinc/65/16/73/617651673.db2.gz ILVAJYKLNOVQLL-CVEARBPZSA-N 0 1 272.392 2.856 20 30 CFEDMN N#Cc1cc(C[N@@H+](C[C@H]2CCOC2)C2CC2)cs1 ZINC000891596089 617680306 /nfs/dbraw/zinc/68/03/06/617680306.db2.gz KHDQRKGQYXFZFI-LLVKDONJSA-N 0 1 262.378 2.621 20 30 CFEDMN COC(C)(C)[C@H](C)NCc1cccc(F)c1C#N ZINC000932373243 617698259 /nfs/dbraw/zinc/69/82/59/617698259.db2.gz YWOVXOKQSRKTKS-JTQLQIEISA-N 0 1 250.317 2.600 20 30 CFEDMN C[N@@H+]1Cc2ccc(N=Cc3cc([N+](=O)[O-])ccc3[O-])cc2C1 ZINC000254986347 617714832 /nfs/dbraw/zinc/71/48/32/617714832.db2.gz ZWLSPLAZKJFJEX-UHFFFAOYSA-N 0 1 297.314 2.996 20 30 CFEDMN C[N@H+]1Cc2ccc(N=Cc3cc([N+](=O)[O-])ccc3[O-])cc2C1 ZINC000254986347 617714835 /nfs/dbraw/zinc/71/48/35/617714835.db2.gz ZWLSPLAZKJFJEX-UHFFFAOYSA-N 0 1 297.314 2.996 20 30 CFEDMN C#CCN(Cc1nc2ccccc2nc1C)C(C)C ZINC000932393730 617718347 /nfs/dbraw/zinc/71/83/47/617718347.db2.gz FLPVZYNYIOYNDL-UHFFFAOYSA-N 0 1 253.349 2.782 20 30 CFEDMN C=C1CCC(C(=O)N2CCN(C)C[C@H]2C(C)C)CC1 ZINC000889095135 617725995 /nfs/dbraw/zinc/72/59/95/617725995.db2.gz BDUHFXAWMZAJFI-HNNXBMFYSA-N 0 1 264.413 2.531 20 30 CFEDMN C=CCCCN(CC)C(=O)NCCCc1cn[nH]c1C ZINC000891754287 617740470 /nfs/dbraw/zinc/74/04/70/617740470.db2.gz DBDAOBLPTFTXHV-UHFFFAOYSA-N 0 1 278.400 2.648 20 30 CFEDMN COc1ccc(F)cc1CN=Nc1cc(C)ccn1 ZINC000812226628 617744460 /nfs/dbraw/zinc/74/44/60/617744460.db2.gz PRGDGRMEUMBUJQ-UHFFFAOYSA-N 0 1 259.284 2.984 20 30 CFEDMN Cc1ccc(N=NCc2cnn(CC3CCC3)c2)nc1 ZINC000901183455 620758568 /nfs/dbraw/zinc/75/85/68/620758568.db2.gz SORTYOOGDHIJLY-UHFFFAOYSA-N 0 1 269.352 2.833 20 30 CFEDMN COc1cccc(NN=C(C)c2cnc(C)s2)n1 ZINC000779819328 617853013 /nfs/dbraw/zinc/85/30/13/617853013.db2.gz MVUIYNFKXABORB-UHFFFAOYSA-N 0 1 262.338 2.691 20 30 CFEDMN N#Cc1ccc(CCN2CCn3nc(C4CC4)cc3C2)cc1 ZINC000932603370 617898720 /nfs/dbraw/zinc/89/87/20/617898720.db2.gz UREGWBMMRYIEAO-UHFFFAOYSA-N 0 1 292.386 2.690 20 30 CFEDMN C=CCOCCNCc1c(C)nn(CCCC)c1Cl ZINC000779990422 617937500 /nfs/dbraw/zinc/93/75/00/617937500.db2.gz AALIAQYOCCWJEX-UHFFFAOYSA-N 0 1 285.819 2.937 20 30 CFEDMN Cc1csc(C(C#N)C(=O)C=Cc2ccco2)n1 ZINC000255496848 618007879 /nfs/dbraw/zinc/00/78/79/618007879.db2.gz DUGFCZUJGMTXRT-DOGVGXBMSA-N 0 1 258.302 2.934 20 30 CFEDMN C=CC[C@@H]1CCN1C[C@H](O)c1ccc(F)cc1F ZINC000934471597 618046756 /nfs/dbraw/zinc/04/67/56/618046756.db2.gz VLRIJWQDIBOZKP-RISCZKNCSA-N 0 1 253.292 2.649 20 30 CFEDMN C=CC[C@@H]1CCN1[C@@H](C)C(=O)NC[C@H](C)c1ccccc1 ZINC000934472233 618047944 /nfs/dbraw/zinc/04/79/44/618047944.db2.gz PWHWADRRBQSHPZ-YQQAZPJKSA-N 0 1 286.419 2.945 20 30 CFEDMN C[C@@]1(C2CC2)COCCN1Cc1ccc(C#N)cc1 ZINC000934479069 618050796 /nfs/dbraw/zinc/05/07/96/618050796.db2.gz ZVNNBCHLKJWHSU-INIZCTEOSA-N 0 1 256.349 2.559 20 30 CFEDMN C=CC(C)(C)NC(=O)c1ccc(CN2CCCCC2)o1 ZINC000891263862 618087864 /nfs/dbraw/zinc/08/78/64/618087864.db2.gz GRDMKZGKXXXQBW-UHFFFAOYSA-N 0 1 276.380 2.960 20 30 CFEDMN Cc1nc(Br)c(C=NN2CCCC[C@H]2C)[nH]1 ZINC000901261032 620777669 /nfs/dbraw/zinc/77/76/69/620777669.db2.gz BJUGRFXYZLHKBU-MRVPVSSYSA-N 0 1 285.189 2.689 20 30 CFEDMN C#CCN(C[C@@H](O)c1c(F)cccc1F)C1CCCC1 ZINC000155875328 618152707 /nfs/dbraw/zinc/15/27/07/618152707.db2.gz WGGFKHWJFWOJQP-OAHLLOKOSA-N 0 1 279.330 2.876 20 30 CFEDMN N#Cc1cnccc1CN1CCC[C@@H](C2CCOCC2)C1 ZINC000933089527 618153484 /nfs/dbraw/zinc/15/34/84/618153484.db2.gz RYQQCJWXKPZEQC-OAHLLOKOSA-N 0 1 285.391 2.592 20 30 CFEDMN CC[C@H]1C(=O)NCCCN1Cc1ccc(C(C)(C)C#N)cc1 ZINC000933230466 618172647 /nfs/dbraw/zinc/17/26/47/618172647.db2.gz WQFFDTOSXDLGEI-INIZCTEOSA-N 0 1 299.418 2.588 20 30 CFEDMN C=CCN(CC=C)C[C@H](O)c1ccc(F)c(F)c1 ZINC000051087910 618198502 /nfs/dbraw/zinc/19/85/02/618198502.db2.gz AGPIMMJPSXHRMY-AWEZNQCLSA-N 0 1 253.292 2.672 20 30 CFEDMN N#Cc1ccc(O)c(NC(=O)CSc2ccccc2)c1 ZINC000176815481 618204842 /nfs/dbraw/zinc/20/48/42/618204842.db2.gz NYFLCAYKHIFUCJ-UHFFFAOYSA-N 0 1 284.340 2.995 20 30 CFEDMN Cc1ccc(C)c(OCC(=O)Nc2cc(C#N)ccc2O)c1 ZINC000176817736 618205437 /nfs/dbraw/zinc/20/54/37/618205437.db2.gz JNNCLMPCJDUAJZ-UHFFFAOYSA-N 0 1 296.326 2.898 20 30 CFEDMN CN(C)c1cccc(C(=O)Nc2cc(C#N)ccc2O)c1 ZINC000176822342 618206090 /nfs/dbraw/zinc/20/60/90/618206090.db2.gz AGMXWWQUFGTOQA-UHFFFAOYSA-N 0 1 281.315 2.582 20 30 CFEDMN Cc1ccc(O[C@H](C)C(=O)Nc2cc(C#N)ccc2O)cc1 ZINC000176825157 618207064 /nfs/dbraw/zinc/20/70/64/618207064.db2.gz OHZRASNGZGIBJT-GFCCVEGCSA-N 0 1 296.326 2.978 20 30 CFEDMN COc1ccc(CCC(=O)Nc2cc(C#N)ccc2O)cc1 ZINC000176825121 618207184 /nfs/dbraw/zinc/20/71/84/618207184.db2.gz QRTDOCPMCNNCGK-UHFFFAOYSA-N 0 1 296.326 2.844 20 30 CFEDMN N#Cc1ccccc1/C=C1/Oc2cc(O)ccc2C1=O ZINC000255596619 618213401 /nfs/dbraw/zinc/21/34/01/618213401.db2.gz FRSUDZDFNDWYLO-VIZOYTHASA-N 0 1 263.252 2.880 20 30 CFEDMN C=CC(C)(C)NC(=O)NC[C@@H](c1ccco1)N(CC)CC ZINC000892413148 618232404 /nfs/dbraw/zinc/23/24/04/618232404.db2.gz ORVQWXOYFGYFHA-ZDUSSCGKSA-N 0 1 293.411 2.926 20 30 CFEDMN C=C(Br)CNCc1ccc(C#N)c(C)c1 ZINC000309175021 618234515 /nfs/dbraw/zinc/23/45/15/618234515.db2.gz MJYYSYYOOLPLBP-UHFFFAOYSA-N 0 1 265.154 2.865 20 30 CFEDMN N#Cc1cccc(OCCN2CC[C@@H](C(F)(F)F)C2)c1 ZINC000312326428 618247405 /nfs/dbraw/zinc/24/74/05/618247405.db2.gz IGOXDLSGSXNXHR-GFCCVEGCSA-N 0 1 284.281 2.821 20 30 CFEDMN C[C@H]1CCN(Cc2csc(C#N)c2)CCS1 ZINC000894026896 618280281 /nfs/dbraw/zinc/28/02/81/618280281.db2.gz BERSDCVYZHAITC-JTQLQIEISA-N 0 1 252.408 2.947 20 30 CFEDMN C#CCC[N@@H+]1CCCC[C@@H]1CNC(=O)c1cc(C)oc1C ZINC001024326301 618295649 /nfs/dbraw/zinc/29/56/49/618295649.db2.gz JDUHGOLPNLSINJ-OAHLLOKOSA-N 0 1 288.391 2.504 20 30 CFEDMN CC#CCN1CCCC[C@@H]1CNC(=O)C1C(C)(C)C1(C)C ZINC001024379806 618306007 /nfs/dbraw/zinc/30/60/07/618306007.db2.gz ARSBLIICWLFWCM-CQSZACIVSA-N 0 1 290.451 2.663 20 30 CFEDMN C=CCN1CCCC[C@@H]1CNC(=O)C1CC(C)(C)C1 ZINC001024426148 618312881 /nfs/dbraw/zinc/31/28/81/618312881.db2.gz VHEUJRDVNHNWGQ-CQSZACIVSA-N 0 1 264.413 2.579 20 30 CFEDMN C#CC1CCN(Cc2c(Cl)n[nH]c2C2CC2)CC1 ZINC000895116645 618318226 /nfs/dbraw/zinc/31/82/26/618318226.db2.gz UQJFQOSFWUHUBF-UHFFFAOYSA-N 0 1 263.772 2.786 20 30 CFEDMN C=CCN1CCCC[C@H]1CNC(=O)c1cc(F)ccc1F ZINC001024481121 618329575 /nfs/dbraw/zinc/32/95/75/618329575.db2.gz SWNLNVIPHJSJJU-ZDUSSCGKSA-N 0 1 294.345 2.735 20 30 CFEDMN Cc1cc(C#N)cc(C)c1CN(C)Cc1cnc[nH]1 ZINC000930917717 618333564 /nfs/dbraw/zinc/33/35/64/618333564.db2.gz ZHYBXYDXNPHOBP-UHFFFAOYSA-N 0 1 254.337 2.530 20 30 CFEDMN CC#CCN1CCCC[C@H]1CNC(=O)C12CCC(CC1)C2 ZINC001024513294 618342243 /nfs/dbraw/zinc/34/22/43/618342243.db2.gz ORUSEUISFPIEBU-PQUAAJSLSA-N 0 1 288.435 2.561 20 30 CFEDMN Cc1cccc(OCCC(=O)Nc2cc(C#N)ccc2O)c1 ZINC000179735988 618343066 /nfs/dbraw/zinc/34/30/66/618343066.db2.gz PFRQQNBTXXXJQX-UHFFFAOYSA-N 0 1 296.326 2.980 20 30 CFEDMN N#CC(C(=O)[C@H]1CCOC2(CCC2)C1)c1ccccn1 ZINC000892482999 618361470 /nfs/dbraw/zinc/36/14/70/618361470.db2.gz ITCUUNHIOITYQA-STQMWFEESA-N 0 1 270.332 2.607 20 30 CFEDMN C=CCN1CCCC[C@H]1CNC(=O)c1coc(C(F)F)c1 ZINC001024624040 618424842 /nfs/dbraw/zinc/42/48/42/618424842.db2.gz LFXHPILJWDNRRM-LBPRGKRZSA-N 0 1 298.333 2.988 20 30 CFEDMN C=CCN1CCCC[C@@H]1CNC(=O)c1occc1CC ZINC001024635427 618426457 /nfs/dbraw/zinc/42/64/57/618426457.db2.gz BDQXXPBIRXFDPN-CQSZACIVSA-N 0 1 276.380 2.612 20 30 CFEDMN CC#CCN1CCCC[C@@H]1CNC(=O)[C@]12C[C@H]1CCCC2 ZINC001024635224 618427612 /nfs/dbraw/zinc/42/76/12/618427612.db2.gz CGJNFCAXMJDMRZ-JFIYKMOQSA-N 0 1 288.435 2.561 20 30 CFEDMN C=CCN1CCCC[C@@H]1CNC(=O)[C@]12C[C@H]1CCCC2 ZINC001024645068 618432019 /nfs/dbraw/zinc/43/20/19/618432019.db2.gz CZSKUYRBIDJSHG-BFYDXBDKSA-N 0 1 276.424 2.723 20 30 CFEDMN C=CCN1CCCC[C@@H]1CNC(=O)c1cc(C)c(CC)o1 ZINC001024758418 618464359 /nfs/dbraw/zinc/46/43/59/618464359.db2.gz QHSHIVWAEGQPCG-CQSZACIVSA-N 0 1 290.407 2.921 20 30 CFEDMN CC#CCN1CCCC[C@H]1CNC(=O)c1ccc(C)cc1C ZINC001024785718 618469034 /nfs/dbraw/zinc/46/90/34/618469034.db2.gz NZVWBYQUCWKXEK-KRWDZBQOSA-N 0 1 298.430 2.911 20 30 CFEDMN C=CCN1CCCC[C@H]1CNC(=O)c1cc(F)cc(F)c1 ZINC001024793563 618470565 /nfs/dbraw/zinc/47/05/65/618470565.db2.gz ZRXGRFFXBQDZTR-HNNXBMFYSA-N 0 1 294.345 2.735 20 30 CFEDMN C=CCN1CCCC[C@H]1CNC(=O)c1cc2ccccc2[nH]1 ZINC001024793134 618470699 /nfs/dbraw/zinc/47/06/99/618470699.db2.gz RLUNYFMHTGBNLD-HNNXBMFYSA-N 0 1 297.402 2.938 20 30 CFEDMN CCc1ccc2c(c1)C(=N[N-]c1ccc(C)c[nH+]1)C(=O)N2 ZINC000727259536 618475542 /nfs/dbraw/zinc/47/55/42/618475542.db2.gz GDJKVFOJWBBHAH-UHFFFAOYSA-N 0 1 280.331 2.721 20 30 CFEDMN Cc1ccc(NN=Cc2ccc3c(c2)CCO3)nc1 ZINC000727259528 618475618 /nfs/dbraw/zinc/47/56/18/618475618.db2.gz ILXKOSFYURZUQM-UHFFFAOYSA-N 0 1 253.305 2.771 20 30 CFEDMN Cc1ccc(N=NCc2cccc3c2OCCO3)nc1 ZINC000727259284 618475977 /nfs/dbraw/zinc/47/59/77/618475977.db2.gz AYLBWHZYSGLHJG-UHFFFAOYSA-N 0 1 269.304 2.607 20 30 CFEDMN COc1ccc(O)c(C(C)N=Nc2ccc(C)cn2)c1 ZINC000727259319 618476209 /nfs/dbraw/zinc/47/62/09/618476209.db2.gz AAFSQNZEHCOHLA-UHFFFAOYSA-N 0 1 271.320 2.940 20 30 CFEDMN CC(N=Nc1cncnc1)c1cc(F)c(F)c(F)c1 ZINC000794977022 618501038 /nfs/dbraw/zinc/50/10/38/618501038.db2.gz TUMOIUQVWCUABH-UHFFFAOYSA-N 0 1 266.226 2.730 20 30 CFEDMN C#CC1(O)CCN(Cc2cnc(C3CCCC3)s2)CC1 ZINC000895383397 618560591 /nfs/dbraw/zinc/56/05/91/618560591.db2.gz UXVZFOKBKTVIBO-UHFFFAOYSA-N 0 1 290.432 2.761 20 30 CFEDMN Cc1cc(C#N)ccc1NCc1cc(N(C)C)ccn1 ZINC000895474003 618602648 /nfs/dbraw/zinc/60/26/48/618602648.db2.gz KYUVEUVAPOLNNA-UHFFFAOYSA-N 0 1 266.348 2.940 20 30 CFEDMN N#Cc1cccc(CN2CC[C@H](C(F)(F)F)C2)c1 ZINC000310693353 618606730 /nfs/dbraw/zinc/60/67/30/618606730.db2.gz YLMISGSTLXHRCZ-LBPRGKRZSA-N 0 1 254.255 2.942 20 30 CFEDMN N#Cc1ccc(CN2CC[C@H](C(F)(F)F)C2)cc1 ZINC000310764530 618636548 /nfs/dbraw/zinc/63/65/48/618636548.db2.gz MJONRVLOKFPKGD-LBPRGKRZSA-N 0 1 254.255 2.942 20 30 CFEDMN COc1ccc(C(=O)/C=C\c2cccc3nccn32)c(O)c1 ZINC000255904835 618653618 /nfs/dbraw/zinc/65/36/18/618653618.db2.gz LGLPBTIZFXORIB-YVMONPNESA-N 0 1 294.310 2.945 20 30 CFEDMN Cc1ncc(CC(=O)[C@@H](C#N)c2nc3cccc(C)c3[nH]2)o1 ZINC000892703736 618720977 /nfs/dbraw/zinc/72/09/77/618720977.db2.gz KTVVEHBZZZKIEV-GFCCVEGCSA-N 0 1 294.314 2.587 20 30 CFEDMN C[C@@H]1C[C@@H](Nc2cc(C#N)sc2[N+](=O)[O-])CN1C1CC1 ZINC000892876010 618761876 /nfs/dbraw/zinc/76/18/76/618761876.db2.gz MQUDSOKWUYPYHJ-RKDXNWHRSA-N 0 1 292.364 2.565 20 30 CFEDMN C[N@@H+]1Cc2ccccc2[C@H](Nc2ccc(C#N)cc2CO)C1 ZINC000892996426 618796012 /nfs/dbraw/zinc/79/60/12/618796012.db2.gz ZXODEMQMADYNGV-GOSISDBHSA-N 0 1 293.370 2.649 20 30 CFEDMN CN1Cc2ccccc2[C@H](Nc2ccc(C#N)cc2CO)C1 ZINC000892996426 618796014 /nfs/dbraw/zinc/79/60/14/618796014.db2.gz ZXODEMQMADYNGV-GOSISDBHSA-N 0 1 293.370 2.649 20 30 CFEDMN Cc1ccc(-c2cc(C(=O)OCC(C)(C)C#N)[nH]n2)o1 ZINC000180147998 618859113 /nfs/dbraw/zinc/85/91/13/618859113.db2.gz CSXNBBMOUSIOQG-UHFFFAOYSA-N 0 1 273.292 2.685 20 30 CFEDMN CC(=O)OC[C@@H](C)N[C@@H](CCC#N)c1ccccc1 ZINC000893195044 618876137 /nfs/dbraw/zinc/87/61/37/618876137.db2.gz QVFGWTMELZKPIG-DOMZBBRYSA-N 0 1 260.337 2.573 20 30 CFEDMN C=CCN1CCC[C@@H](NC(=O)c2ccc(C=C)cc2)C1 ZINC001008622060 618953926 /nfs/dbraw/zinc/95/39/26/618953926.db2.gz OTHFJLZWVYKGPS-MRXNPFEDSA-N 0 1 270.376 2.710 20 30 CFEDMN C=C[C@H](Cc1ccccc1)OC(=O)CCCCc1cn[nH]n1 ZINC000893449601 618997317 /nfs/dbraw/zinc/99/73/17/618997317.db2.gz GAASJEWIAGFCLJ-MRXNPFEDSA-N 0 1 299.374 2.858 20 30 CFEDMN C=C(C)CN1CCC[C@H](NC(=O)c2cccc3c2CCC3)C1 ZINC001009684840 619013322 /nfs/dbraw/zinc/01/33/22/619013322.db2.gz SJXUEWZPJXTNRO-INIZCTEOSA-N 0 1 298.430 2.946 20 30 CFEDMN N#CCC1CCN(Cc2ccnn2C2CCC2)CC1 ZINC000893486191 619015924 /nfs/dbraw/zinc/01/59/24/619015924.db2.gz BCIAGTIOXMRGPN-UHFFFAOYSA-N 0 1 258.369 2.734 20 30 CFEDMN COC[C@@H]1CCCC[N@@H+](Cc2csc(C#N)c2)C1 ZINC000893643335 619139159 /nfs/dbraw/zinc/13/91/59/619139159.db2.gz SZCWSFUTMUYLJI-GFCCVEGCSA-N 0 1 264.394 2.868 20 30 CFEDMN C#CCOc1ccc(NC(=O)[C@H]2CCCCN2CC)cc1 ZINC000108291172 619283327 /nfs/dbraw/zinc/28/33/27/619283327.db2.gz YTKJQCIFGGPPMG-MRXNPFEDSA-N 0 1 286.375 2.512 20 30 CFEDMN N#Cc1cc(CN2CCC[C@@H]2[C@@H]2CCCO2)cs1 ZINC000894293174 619312231 /nfs/dbraw/zinc/31/22/31/619312231.db2.gz HFCQFHKSLYHAIF-KGLIPLIRSA-N 0 1 262.378 2.763 20 30 CFEDMN CO[C@H]1CC[C@H](C)N(Cc2ccc(C#N)s2)C1 ZINC000879326232 619336890 /nfs/dbraw/zinc/33/68/90/619336890.db2.gz QLDYMAWIYHAQRM-QWRGUYRKSA-N 0 1 250.367 2.619 20 30 CFEDMN N#CCCc1ccc(NC(=O)c2cn[nH]c2C2CC2)cc1 ZINC000928401567 619364883 /nfs/dbraw/zinc/36/48/83/619364883.db2.gz GZWXONJRVFNDOM-UHFFFAOYSA-N 0 1 280.331 2.996 20 30 CFEDMN N#CCCc1ccc(NC(=O)CCCCc2cn[nH]n2)cc1 ZINC000928401988 619365302 /nfs/dbraw/zinc/36/53/02/619365302.db2.gz OKXVDKKEQWZKKK-UHFFFAOYSA-N 0 1 297.362 2.612 20 30 CFEDMN C[C@H]1C[N@@H+](CCCCC#N)CC[C@H](C(F)(F)F)O1 ZINC000880061372 619382108 /nfs/dbraw/zinc/38/21/08/619382108.db2.gz UDQQHCIOBKLZBY-WDEREUQCSA-N 0 1 264.291 2.722 20 30 CFEDMN C=CCN(C)Cc1c2ccccc2[nH]c1C(=O)OC ZINC000894493373 619401879 /nfs/dbraw/zinc/40/18/79/619401879.db2.gz ARTPVTVWZVKFGL-UHFFFAOYSA-N 0 1 258.321 2.572 20 30 CFEDMN C#C[C@@H](C)[N@@H+](C)Cc1cc(Br)cc(F)c1[O-] ZINC000894574071 619421772 /nfs/dbraw/zinc/42/17/72/619421772.db2.gz MMVCOOYMPPVKCN-MRVPVSSYSA-N 0 1 286.144 2.747 20 30 CFEDMN C#Cc1ccc(CNCc2ccc(OCCOC)o2)cc1 ZINC000894666221 619438614 /nfs/dbraw/zinc/43/86/14/619438614.db2.gz AACKGLOYYOBJSB-UHFFFAOYSA-N 0 1 285.343 2.576 20 30 CFEDMN C#C[C@@H](C)NCc1ccc(C(=O)OC(C)(C)C)s1 ZINC000894737950 619455287 /nfs/dbraw/zinc/45/52/87/619455287.db2.gz KIACIHQCMNUPHF-SNVBAGLBSA-N 0 1 265.378 2.815 20 30 CFEDMN COC[C@H]1CCCCN1Cc1csc(C#N)c1 ZINC000894785063 619467042 /nfs/dbraw/zinc/46/70/42/619467042.db2.gz URECTIRMBCJUOX-GFCCVEGCSA-N 0 1 250.367 2.621 20 30 CFEDMN C#CC[C@H](Cc1ccccc1)NC[C@@H](C#N)CCC#N ZINC000795329239 619553471 /nfs/dbraw/zinc/55/34/71/619553471.db2.gz MJBPNQTTYMKRGC-IAGOWNOFSA-N 0 1 265.360 2.654 20 30 CFEDMN N#Cc1csc(CN2CC(CC3CCOCC3)C2)c1 ZINC000895616458 619568283 /nfs/dbraw/zinc/56/82/83/619568283.db2.gz SPAYDUHFFZDNQO-UHFFFAOYSA-N 0 1 276.405 2.868 20 30 CFEDMN C#CCC1(O)CCN(Cc2ccc([C@@H]3C[C@@H]3C)o2)CC1 ZINC000895674611 619579997 /nfs/dbraw/zinc/57/99/97/619579997.db2.gz AGDHJLSPNRCLOJ-DZGCQCFKSA-N 0 1 273.376 2.753 20 30 CFEDMN C#CCC1(O)CCN(Cc2cnc(C(C)C)s2)CC1 ZINC000895669926 619582397 /nfs/dbraw/zinc/58/23/97/619582397.db2.gz LRBASVZLXZTRJT-UHFFFAOYSA-N 0 1 278.421 2.617 20 30 CFEDMN C[C@H]1[C@H](Nc2ncc(C#N)c3ccsc32)CC[N@H+]1C ZINC000895736503 619597174 /nfs/dbraw/zinc/59/71/74/619597174.db2.gz JUILDARGBQQIOJ-JOYOIKCWSA-N 0 1 272.377 2.672 20 30 CFEDMN N#Cc1c(F)cccc1CNC[C@H]1CC2(CCC2)CO1 ZINC000895789560 619607338 /nfs/dbraw/zinc/60/73/38/619607338.db2.gz CYTRMKYOVZZVDI-CYBMUJFWSA-N 0 1 274.339 2.746 20 30 CFEDMN C#CCN1CCC(Nc2ncc(C(F)(F)F)cc2C)CC1 ZINC000895810625 619610118 /nfs/dbraw/zinc/61/01/18/619610118.db2.gz HDXAXNNRYRHPHI-UHFFFAOYSA-N 0 1 297.324 2.918 20 30 CFEDMN C#CCN1CCC(Nc2ccc(-c3ccncc3)cn2)CC1 ZINC000895811867 619613202 /nfs/dbraw/zinc/61/32/02/619613202.db2.gz YDIBQQLOHDLOSU-UHFFFAOYSA-N 0 1 292.386 2.653 20 30 CFEDMN C=C1CCN(C(=O)NC[C@@H]2CCN2Cc2ccccc2)CC1 ZINC000895899865 619630268 /nfs/dbraw/zinc/63/02/68/619630268.db2.gz RVTGNYPLRHLXHN-KRWDZBQOSA-N 0 1 299.418 2.623 20 30 CFEDMN COC(=O)CC[C@H]1CCCN(Cc2csc(C#N)c2)C1 ZINC000895938863 619640166 /nfs/dbraw/zinc/64/01/66/619640166.db2.gz GBMSVJOSWHBDKR-GFCCVEGCSA-N 0 1 292.404 2.785 20 30 CFEDMN C=C(C)COc1cc(CN2CC(COC)C2)ccc1OC ZINC000895970187 619646570 /nfs/dbraw/zinc/64/65/70/619646570.db2.gz FFYPDOPZWJNJPA-UHFFFAOYSA-N 0 1 291.391 2.728 20 30 CFEDMN C(#Cc1ccccc1)CN1CC(CC2CCOCC2)C1 ZINC000896009139 619653341 /nfs/dbraw/zinc/65/33/41/619653341.db2.gz QFTVQMCUEBJSIG-UHFFFAOYSA-N 0 1 269.388 2.787 20 30 CFEDMN C=C1CCC(C(=O)NCCCc2cn[nH]c2C)CC1 ZINC000896043343 619662059 /nfs/dbraw/zinc/66/20/59/619662059.db2.gz LFJYZKYUWSNRLY-UHFFFAOYSA-N 0 1 261.369 2.513 20 30 CFEDMN CC(C)(C)OC(=O)N[C@H]1C[C@@H](CN2CCC[C@H](C#N)C2)C1 ZINC000896500777 619750425 /nfs/dbraw/zinc/75/04/25/619750425.db2.gz KRBYBSCFSGHZDT-MCIONIFRSA-N 0 1 293.411 2.525 20 30 CFEDMN N#C[C@H]1CCCN(Cc2cccc(Br)c2O)C1 ZINC000896505951 619752560 /nfs/dbraw/zinc/75/25/60/619752560.db2.gz QQUSBVCMEZWGLL-SNVBAGLBSA-N 0 1 295.180 2.890 20 30 CFEDMN N#C[C@@H]1CCCN(Cc2cc(Cl)cc(F)c2O)C1 ZINC000896505595 619752660 /nfs/dbraw/zinc/75/26/60/619752660.db2.gz OLUMUEMSIFXENZ-VIFPVBQESA-N 0 1 268.719 2.920 20 30 CFEDMN COC(C)(C)[C@@H](C)NCc1cc(C#N)cnc1Cl ZINC000896607242 619773498 /nfs/dbraw/zinc/77/34/98/619773498.db2.gz BWJKCIUUTUCNEZ-SECBINFHSA-N 0 1 267.760 2.510 20 30 CFEDMN N#Cc1ccc(O)c(NC(=O)C2C[C@H]3CC[C@@H](C2)S3)c1 ZINC000896821262 619830155 /nfs/dbraw/zinc/83/01/55/619830155.db2.gz QTHPOXIFZKBEPZ-YOGCLGLASA-N 0 1 288.372 2.877 20 30 CFEDMN Cc1ccc(CNCc2cnc(F)cc2C)cc1C#N ZINC000896879507 619855605 /nfs/dbraw/zinc/85/56/05/619855605.db2.gz CNUPTKUSDBJIEP-UHFFFAOYSA-N 0 1 269.323 2.999 20 30 CFEDMN CCn1cc(CNCc2ccc(C)c(C#N)c2)c(C)n1 ZINC000896880973 619856476 /nfs/dbraw/zinc/85/64/76/619856476.db2.gz XUGBROZJQUVPGF-UHFFFAOYSA-N 0 1 268.364 2.681 20 30 CFEDMN N#C[C@H]1CC[C@H](NCC(=O)N2CCCCc3ccccc32)C1 ZINC000896926196 619892688 /nfs/dbraw/zinc/89/26/88/619892688.db2.gz UQPWXNATARSDRW-HOCLYGCPSA-N 0 1 297.402 2.638 20 30 CFEDMN CSCC1CCN(Cc2cccc(C#N)n2)CC1 ZINC000896941667 619901114 /nfs/dbraw/zinc/90/11/14/619901114.db2.gz VRQZWTRWOMKPFL-UHFFFAOYSA-N 0 1 261.394 2.528 20 30 CFEDMN C=C(Cl)CN(C)C1CCN(C(=O)c2ccoc2)CC1 ZINC000985270122 619938621 /nfs/dbraw/zinc/93/86/21/619938621.db2.gz KGGQMKSXKGSWTH-UHFFFAOYSA-N 0 1 282.771 2.569 20 30 CFEDMN CC1(C)CCN(CCNc2snc(Cl)c2C#N)C1 ZINC000897249169 619958790 /nfs/dbraw/zinc/95/87/90/619958790.db2.gz OFJTUVNSFSWYKB-UHFFFAOYSA-N 0 1 284.816 2.812 20 30 CFEDMN COC[C@@H](N[C@@H](C)CC(C)(C)C#N)c1ccco1 ZINC000925207709 620024025 /nfs/dbraw/zinc/02/40/25/620024025.db2.gz YZWMZPMNMYMXEL-NWDGAFQWSA-N 0 1 250.342 2.885 20 30 CFEDMN C=C(Cl)CN(C)C1CCN(C(=O)[C@H]2C[C@H]2C(C)C)CC1 ZINC000985723430 620026294 /nfs/dbraw/zinc/02/62/94/620026294.db2.gz DQYSEVVLPCQIFN-GJZGRUSLSA-N 0 1 298.858 2.954 20 30 CFEDMN C=C(Cl)CN[C@@H]1CCN(C(=O)/C=C\c2ccco2)[C@@H]1C ZINC000985885405 620048497 /nfs/dbraw/zinc/04/84/97/620048497.db2.gz AUSCQICHUMEXGI-BYVUIAOWSA-N 0 1 294.782 2.624 20 30 CFEDMN C=C(Cl)CN[C@@H]1CCN(C(=O)c2oc(C)cc2C)[C@H]1C ZINC000986125165 620069306 /nfs/dbraw/zinc/06/93/06/620069306.db2.gz RPWUDLOOWJLBEU-QWHCGFSZSA-N 0 1 296.798 2.842 20 30 CFEDMN C=C(Cl)CN[C@@H]1CCN(C(=O)CC2CCC2)[C@H]1C ZINC000986138402 620072271 /nfs/dbraw/zinc/07/22/71/620072271.db2.gz YKQCCOYQWPWAHO-WCQYABFASA-N 0 1 270.804 2.508 20 30 CFEDMN C=C(Cl)CN[C@H]1CCN(C(=O)c2c(C)coc2C)[C@@H]1C ZINC000986233098 620077392 /nfs/dbraw/zinc/07/73/92/620077392.db2.gz UBOXMTNQJUUZCV-YPMHNXCESA-N 0 1 296.798 2.842 20 30 CFEDMN C=C(Cl)CN[C@@H]1CCN(C(=O)C2C=CC=CC=C2)[C@H]1C ZINC000986315047 620079122 /nfs/dbraw/zinc/07/91/22/620079122.db2.gz HLBSIHQWRXLDMC-DZGCQCFKSA-N 0 1 292.810 2.616 20 30 CFEDMN C=C(Cl)CN[C@H]1CCN(C(=O)c2ccc(CC)o2)[C@H]1C ZINC000986431439 620080927 /nfs/dbraw/zinc/08/09/27/620080927.db2.gz IATSVBJVDFLECW-AAEUAGOBSA-N 0 1 296.798 2.787 20 30 CFEDMN C=C(Cl)CN[C@@H]1CCN(C(=O)c2cc(C)co2)[C@H]1C ZINC000986654897 620096257 /nfs/dbraw/zinc/09/62/57/620096257.db2.gz DUVISXDIJNEIQU-NWDGAFQWSA-N 0 1 282.771 2.533 20 30 CFEDMN C=C[C@H](CC)CC(=O)Nc1cc(C(=O)OC(C)C)[nH]n1 ZINC000888120221 620123191 /nfs/dbraw/zinc/12/31/91/620123191.db2.gz FXFFHRHOSWCCGL-SNVBAGLBSA-N 0 1 279.340 2.516 20 30 CFEDMN C=C(Cl)CN[C@@H]1C[C@H](C)N(C(=O)c2ccoc2C)C1 ZINC000987998275 620160033 /nfs/dbraw/zinc/16/00/33/620160033.db2.gz WTYUWNIUAMHDCJ-CMPLNLGQSA-N 0 1 282.771 2.533 20 30 CFEDMN C=C(Cl)CN[C@@H]1C[C@@H](C)N(C(=O)c2ccoc2C)C1 ZINC000987998279 620160092 /nfs/dbraw/zinc/16/00/92/620160092.db2.gz WTYUWNIUAMHDCJ-ZYHUDNBSSA-N 0 1 282.771 2.533 20 30 CFEDMN C=C(Cl)CN[C@H]1C[C@@H](C)N(C(=O)CC(C)(C)C)C1 ZINC000988048149 620160581 /nfs/dbraw/zinc/16/05/81/620160581.db2.gz HHJDEMORFKTDQU-NEPJUHHUSA-N 0 1 272.820 2.754 20 30 CFEDMN C=C(Cl)CN[C@H]1C[C@@H](C)N(C(=O)c2cc(C)c(C)o2)C1 ZINC000988611621 620205312 /nfs/dbraw/zinc/20/53/12/620205312.db2.gz JMBSBPBIPJOWHF-YPMHNXCESA-N 0 1 296.798 2.842 20 30 CFEDMN C=C(Cl)CN[C@H]1C[C@H](C)N(C(=O)C(C)=C2CCC2)C1 ZINC000988817029 620225181 /nfs/dbraw/zinc/22/51/81/620225181.db2.gz DUXHRNWYENUKNE-FZMZJTMJSA-N 0 1 282.815 2.818 20 30 CFEDMN C=C(Cl)CN[C@H]1C[C@H](C)N(C(=O)CC2(C)CC2)C1 ZINC000989211776 620237342 /nfs/dbraw/zinc/23/73/42/620237342.db2.gz YBCUNMTVRUJHCR-RYUDHWBXSA-N 0 1 270.804 2.508 20 30 CFEDMN C#Cc1ccc(C(=O)N[C@H](C)c2n[nH]c([C@H](C)CC)n2)cc1 ZINC000897556039 620245331 /nfs/dbraw/zinc/24/53/31/620245331.db2.gz DFFDBEDXDYAWKE-VXGBXAGGSA-N 0 1 296.374 2.791 20 30 CFEDMN C[C@@H](CCC#N)CN1CCO[C@H](c2ccc(C#N)cc2)C1 ZINC000897596582 620254456 /nfs/dbraw/zinc/25/44/56/620254456.db2.gz RAJXTVFTEYGXLF-YOEHRIQHSA-N 0 1 283.375 2.871 20 30 CFEDMN C=C(C)CN1CCCN(C(=O)[C@@H]2CC23CCCC3)CC1 ZINC000989417688 620261850 /nfs/dbraw/zinc/26/18/50/620261850.db2.gz YZTLOIDPOCZCDJ-HNNXBMFYSA-N 0 1 276.424 2.677 20 30 CFEDMN C#CCOc1ccccc1CNCc1ccc(CCO)cc1 ZINC000898172458 620343210 /nfs/dbraw/zinc/34/32/10/620343210.db2.gz JRKJFCZYJNNLJK-UHFFFAOYSA-N 0 1 295.382 2.523 20 30 CFEDMN C=CCN1CCCN(C(=O)[C@@H](C)c2ccc(C)cc2)CC1 ZINC000989507635 620379345 /nfs/dbraw/zinc/37/93/45/620379345.db2.gz SNMNEMOLIRJQOH-INIZCTEOSA-N 0 1 286.419 2.819 20 30 CFEDMN C=CCN1CCCN(C(=O)[C@H](C)c2ccc(C)cc2)CC1 ZINC000989507640 620379758 /nfs/dbraw/zinc/37/97/58/620379758.db2.gz SNMNEMOLIRJQOH-MRXNPFEDSA-N 0 1 286.419 2.819 20 30 CFEDMN C=C(C)CN1CCCN(C(=O)c2ccc(C3CC3)cn2)CC1 ZINC000989584556 620382312 /nfs/dbraw/zinc/38/23/12/620382312.db2.gz CXHDRMNCUFPTSZ-UHFFFAOYSA-N 0 1 299.418 2.683 20 30 CFEDMN C=C(C)CN1CCCN(C(=O)c2cccn2C(C)C)CC1 ZINC000989676922 620385397 /nfs/dbraw/zinc/38/53/97/620385397.db2.gz BRJIIYBQSGSCHF-UHFFFAOYSA-N 0 1 289.423 2.793 20 30 CFEDMN CCC(=O)N[C@@]12CCC[C@@H]1N(Cc1ccccc1C#N)CC2 ZINC000989870104 620396340 /nfs/dbraw/zinc/39/63/40/620396340.db2.gz HLPJBLLBLFHHSD-FUHWJXTLSA-N 0 1 297.402 2.581 20 30 CFEDMN CCC(=O)N[C@]12CCC[C@H]1N(Cc1ccccc1C#N)CC2 ZINC000989870103 620396376 /nfs/dbraw/zinc/39/63/76/620396376.db2.gz HLPJBLLBLFHHSD-AEFFLSMTSA-N 0 1 297.402 2.581 20 30 CFEDMN C#CCCN1CC[C@H](NC(=O)c2cscc2C(F)F)C1 ZINC001014477080 620405004 /nfs/dbraw/zinc/40/50/04/620405004.db2.gz GKOIZWWULSFCKG-JTQLQIEISA-N 0 1 298.358 2.513 20 30 CFEDMN C=C(C)COC(=O)c1ccc(CN2CCCCC2)o1 ZINC000923827483 620415876 /nfs/dbraw/zinc/41/58/76/620415876.db2.gz MGONYRXRKSWNPO-UHFFFAOYSA-N 0 1 263.337 2.998 20 30 CFEDMN C=CCN1CC[C@H](NC(=O)c2c(C)oc3ccccc32)C1 ZINC001014543487 620421997 /nfs/dbraw/zinc/42/19/97/620421997.db2.gz CFHBYEORNKDYIW-ZDUSSCGKSA-N 0 1 284.359 2.731 20 30 CFEDMN Cc1ccc(CN[C@H](C)c2cncnc2C)cc1C#N ZINC000926959983 620431588 /nfs/dbraw/zinc/43/15/88/620431588.db2.gz CXXWOOQWDIVFHK-GFCCVEGCSA-N 0 1 266.348 2.816 20 30 CFEDMN C=CCc1cc(CNC/C=C/Cl)cc(OC)c1O ZINC000898437182 620464870 /nfs/dbraw/zinc/46/48/70/620464870.db2.gz YMIKWXULIKLUHA-GQCTYLIASA-N 0 1 267.756 2.971 20 30 CFEDMN C=CC(C)(C)NCc1cc(OC)c(OC)cc1F ZINC000898460846 620467152 /nfs/dbraw/zinc/46/71/52/620467152.db2.gz UQEMHTJMYOWSBM-UHFFFAOYSA-N 0 1 253.317 2.897 20 30 CFEDMN C=CC[C@H]1CCCC[C@H]1NC(=O)c1cncc2nc[nH]c21 ZINC000898579716 620481048 /nfs/dbraw/zinc/48/10/48/620481048.db2.gz UVBMKCGDTZREQQ-WCQYABFASA-N 0 1 284.363 2.823 20 30 CFEDMN C=C[C@H](CC(=O)N1CCC[C@H]1c1nnc[nH]1)c1ccccc1 ZINC000899105991 620521232 /nfs/dbraw/zinc/52/12/32/620521232.db2.gz PBFCMJMCZSRNHO-HIFRSBDPSA-N 0 1 296.374 2.828 20 30 CFEDMN Cn1nc2c(c1/C=C/C(=O)c1ccc(O)c(F)c1)CCC2 ZINC000899353491 620548508 /nfs/dbraw/zinc/54/85/08/620548508.db2.gz OZTFYFRGIZZXGC-SOFGYWHQSA-N 0 1 286.306 2.650 20 30 CFEDMN N#Cc1cc(Cl)ccc1-n1cc([C@H]2CCCCN2)nn1 ZINC000899731529 620595000 /nfs/dbraw/zinc/59/50/00/620595000.db2.gz ZLLMACXCMBUVMV-GFCCVEGCSA-N 0 1 287.754 2.607 20 30 CFEDMN C=CC[N@@H+](CC(=O)[O-])C/C(C)=C/c1ccccc1COC ZINC000901585808 620869753 /nfs/dbraw/zinc/86/97/53/620869753.db2.gz ISSCUSPXCDQXCP-GXDHUFHOSA-N 0 1 289.375 2.809 20 30 CFEDMN C=CC[N@@H+](CC(=O)[O-])Cc1cccc(OC(C)(C)C)c1 ZINC000901585245 620870050 /nfs/dbraw/zinc/87/00/50/620870050.db2.gz AVLXZTAXSPEXKY-UHFFFAOYSA-N 0 1 277.364 2.937 20 30 CFEDMN N#CCC[C@H](C#N)CNCC[C@H]1OCCc2ccccc21 ZINC000901630687 620875102 /nfs/dbraw/zinc/87/51/02/620875102.db2.gz KGTMTTZEJVVUBB-RHSMWYFYSA-N 0 1 283.375 2.724 20 30 CFEDMN C=CCOC[C@H]([NH2+][C@H](C)c1cc2ccccc2o1)C(=O)[O-] ZINC000901808002 620921208 /nfs/dbraw/zinc/92/12/08/620921208.db2.gz ABLSUMFAPPWOPO-YPMHNXCESA-N 0 1 289.331 2.739 20 30 CFEDMN C#CCCCCCC[N@@H+]1C[C@@H]2CCC[C@H]2[C@@H]1C(=O)[O-] ZINC000902012901 620958192 /nfs/dbraw/zinc/95/81/92/620958192.db2.gz SCWRLCYNXLIEID-RRFJBIMHSA-N 0 1 263.381 2.755 20 30 CFEDMN C=CCCCCCN(C)CN1C[C@H]([C@H]2CCCO2)CC1=O ZINC000902155850 620988621 /nfs/dbraw/zinc/98/86/21/620988621.db2.gz BYIOAQLNRXNYFD-HZPDHXFCSA-N 0 1 294.439 2.650 20 30 CFEDMN C=CC(C)(C)CC[NH2+]C1CCN(CCCC(=O)[O-])CC1 ZINC000902425559 621075208 /nfs/dbraw/zinc/07/52/08/621075208.db2.gz YUZMYJMILNDDFR-UHFFFAOYSA-N 0 1 282.428 2.508 20 30 CFEDMN C=C[C@H]1CCCC[N@@H+]1Cc1ccc(OCC(=O)[O-])cc1 ZINC000902544188 621116258 /nfs/dbraw/zinc/11/62/58/621116258.db2.gz CDMABSPLEXMOKG-AWEZNQCLSA-N 0 1 275.348 2.691 20 30 CFEDMN C=C[C@@H]1CCCC[N@@H+]1Cc1cc(C(=O)[O-])cs1 ZINC000902544854 621123698 /nfs/dbraw/zinc/12/36/98/621123698.db2.gz KPZRHJIYRXOMJQ-LLVKDONJSA-N 0 1 251.351 2.987 20 30 CFEDMN C[C@@H](COCC(F)(F)F)N[C@@H](C)c1cc(C#N)ccn1 ZINC000902777193 621171276 /nfs/dbraw/zinc/17/12/76/621171276.db2.gz TZTVLNZWWIZMDO-UWVGGRQHSA-N 0 1 287.285 2.571 20 30 CFEDMN C[C@@H](NC[C@H]1OCCc2ccccc21)c1cc(C#N)ccn1 ZINC000902865648 621191666 /nfs/dbraw/zinc/19/16/66/621191666.db2.gz OBTPPKNUFDLYAD-FZKQIMNGSA-N 0 1 293.370 2.918 20 30 CFEDMN CC[C@H](NCC(=O)NC1CCCC1)c1cccc(C#N)c1 ZINC000902863111 621196647 /nfs/dbraw/zinc/19/66/47/621196647.db2.gz UVJSSBCRKABPHN-INIZCTEOSA-N 0 1 285.391 2.658 20 30 CFEDMN C=CCC[C@@H](NCc1cn(CC)nn1)[C@@]1(C)CCCCO1 ZINC000903049614 621241444 /nfs/dbraw/zinc/24/14/44/621241444.db2.gz BINUDYZHGWYJAG-HZPDHXFCSA-N 0 1 292.427 2.682 20 30 CFEDMN C[C@@H](NCC1(C#N)CC1)c1cc(Cl)ccc1O ZINC000903105904 621254958 /nfs/dbraw/zinc/25/49/58/621254958.db2.gz IMXBWZAEUPOANS-SECBINFHSA-N 0 1 250.729 3.000 20 30 CFEDMN C[C@@H]([NH2+]CC1(C#N)CC1)c1cc(Cl)ccc1[O-] ZINC000903105904 621254960 /nfs/dbraw/zinc/25/49/60/621254960.db2.gz IMXBWZAEUPOANS-SECBINFHSA-N 0 1 250.729 3.000 20 30 CFEDMN C[C@H](CC(=O)OC(C)(C)C)NCC1(C#N)CCCC1 ZINC000903109625 621256605 /nfs/dbraw/zinc/25/66/05/621256605.db2.gz TWVMUDQLYBBMLB-GFCCVEGCSA-N 0 1 266.385 2.780 20 30 CFEDMN C[C@H](NCC1(C#N)CCC1)C1(NC(=O)OC(C)(C)C)CC1 ZINC000903191723 621280321 /nfs/dbraw/zinc/28/03/21/621280321.db2.gz DWPDIAHZGAEEKT-LBPRGKRZSA-N 0 1 293.411 2.716 20 30 CFEDMN C=CC[C@H](C)[C@@H](C)NCc1ncc(Br)cn1 ZINC000903319388 621321238 /nfs/dbraw/zinc/32/12/38/621321238.db2.gz QONNGKXBVPLRFG-VHSXEESVSA-N 0 1 284.201 2.929 20 30 CFEDMN CC[C@@H](NCc1cn(C)nc1OC)c1cccc(C#N)c1 ZINC000903347043 621338156 /nfs/dbraw/zinc/33/81/56/621338156.db2.gz YYVJDEGGEBONQK-OAHLLOKOSA-N 0 1 284.363 2.541 20 30 CFEDMN C[C@H]1CC[C@H](C(=O)[O-])C[N@H+]1CC1CCC(C#N)CC1 ZINC000903406938 621362350 /nfs/dbraw/zinc/36/23/50/621362350.db2.gz AVEUZRAMDWJPOH-ABXWRUBCSA-N 0 1 264.369 2.501 20 30 CFEDMN C[C@]1(C(=O)[O-])CCC[N@H+]1Cc1cc(Cl)cc(C#N)c1 ZINC000903409582 621364686 /nfs/dbraw/zinc/36/46/86/621364686.db2.gz WEDVOUQMZJXEHH-CQSZACIVSA-N 0 1 278.739 2.651 20 30 CFEDMN Cc1cc(C#N)cc(C)c1C[N@H+]1CCC[C@H](CC(=O)[O-])C1 ZINC000903401164 621368425 /nfs/dbraw/zinc/36/84/25/621368425.db2.gz CXFMPWYHUJUPIX-CQSZACIVSA-N 0 1 286.375 2.862 20 30 CFEDMN N#Cc1cc(Cl)cc(C[N@@H+]2CCC[C@@H](CC(=O)[O-])C2)c1 ZINC000903401312 621368535 /nfs/dbraw/zinc/36/85/35/621368535.db2.gz IWBYGXFXWCSLDJ-NSHDSACASA-N 0 1 292.766 2.898 20 30 CFEDMN C=CC[C@@H](C)[N@H+]1C[C@@H](C(=O)[O-])[C@@H](c2ccccc2)C1 ZINC000903603090 621399602 /nfs/dbraw/zinc/39/96/02/621399602.db2.gz SNRIJILBPIGQHP-BPLDGKMQSA-N 0 1 259.349 2.751 20 30 CFEDMN C[C@@H]1CC[C@H](C(=O)[O-])[N@H+]1CCCCC1(C#N)CCC1 ZINC000903703269 621422287 /nfs/dbraw/zinc/42/22/87/621422287.db2.gz XDBZTJXTYLVLGW-CHWSQXEVSA-N 0 1 264.369 2.788 20 30 CFEDMN C=CC[C@H](C)[N@H+]1CC[C@H](c2ncc(C(=O)[O-])s2)C1 ZINC000903929059 621475613 /nfs/dbraw/zinc/47/56/13/621475613.db2.gz VJYLNMDLOMKIEP-UWVGGRQHSA-N 0 1 266.366 2.595 20 30 CFEDMN C=CC[C@H](C)[N@H+]1CCOc2cc(C(=O)[O-])ccc2C1 ZINC000903958859 621479843 /nfs/dbraw/zinc/47/98/43/621479843.db2.gz PMSGIKAAHPQNTJ-NSHDSACASA-N 0 1 261.321 2.544 20 30 CFEDMN C=CC(C)(C)CCCNC(=O)[C@H]1CCc2[nH]cnc2C1 ZINC000832714647 625492830 /nfs/dbraw/zinc/49/28/30/625492830.db2.gz LXPZYXIPSNPMCC-LBPRGKRZSA-N 0 1 275.396 2.623 20 30 CFEDMN CCOc1cccc(/C=N/Cc2cc(N(C)C)ccn2)c1O ZINC000905001312 621679539 /nfs/dbraw/zinc/67/95/39/621679539.db2.gz GHXQNEHMRIYJNP-WOJGMQOQSA-N 0 1 299.374 2.871 20 30 CFEDMN Cc1cnn(C)c1/C=C\C(=O)c1cccc(CN(C)C)c1 ZINC000905078355 621690546 /nfs/dbraw/zinc/69/05/46/621690546.db2.gz PRALQJKUGJGSKE-HJWRWDBZSA-N 0 1 283.375 2.686 20 30 CFEDMN CC1/C(=C\c2cnc(C3CCC3)s2)C(=O)c2ncnn21 ZINC000905087044 621692817 /nfs/dbraw/zinc/69/28/17/621692817.db2.gz VFIDJDHIGPEABG-UASDCXGESA-N 0 1 286.360 2.843 20 30 CFEDMN CC(C)(C#N)C[C@H](O)CN[C@@H]1c2ccccc2CC[C@@H]1F ZINC000905453486 621775629 /nfs/dbraw/zinc/77/56/29/621775629.db2.gz QABPKNKDVYVPOU-CWRNSKLLSA-N 0 1 290.382 2.902 20 30 CFEDMN CC(C)N1CCC[C@@H]1C(=O)Nc1ccc(C#N)c(F)c1 ZINC000905668338 621814412 /nfs/dbraw/zinc/81/44/12/621814412.db2.gz IFKZVZXPXNRNEQ-CQSZACIVSA-N 0 1 275.327 2.509 20 30 CFEDMN N#C[C@@]1(C(=O)N[C@H]2CCCc3cn[nH]c32)CC2CCC1CC2 ZINC000907046041 622078896 /nfs/dbraw/zinc/07/88/96/622078896.db2.gz YVVHPRVMCWNIEJ-WSWZPAPSSA-N 0 1 298.390 2.623 20 30 CFEDMN C[C@H](NN=Cc1ccc(N(C)C)cc1)c1ccncc1 ZINC000819814821 622562473 /nfs/dbraw/zinc/56/24/73/622562473.db2.gz FONBFZJRPNRVGI-ZDUSSCGKSA-N 0 1 268.364 2.832 20 30 CFEDMN C[C@@H]1CCCC[C@H]1C(=O)[C@@H](C#N)C(=O)NC1CCCCC1 ZINC000819945539 622579673 /nfs/dbraw/zinc/57/96/73/622579673.db2.gz UZBSWFXWYRHIAW-BPLDGKMQSA-N 0 1 290.407 2.970 20 30 CFEDMN N#CC(=C(O)C=C[C@H]1CCCO1)c1cnc2ccccc2n1 ZINC000820853562 622774637 /nfs/dbraw/zinc/77/46/37/622774637.db2.gz XLPZVJYIHMPHLL-XRMAHGQMSA-N 0 1 293.326 2.541 20 30 CFEDMN N#CC(C(=O)C=C[C@H]1CCCO1)c1cnc2ccccc2n1 ZINC000820853562 622774645 /nfs/dbraw/zinc/77/46/45/622774645.db2.gz XLPZVJYIHMPHLL-XRMAHGQMSA-N 0 1 293.326 2.541 20 30 CFEDMN C=CC[N@H+]1CC[C@]2(NC(=O)c3ccc(CC)o3)CCC[C@H]12 ZINC000991415876 622790104 /nfs/dbraw/zinc/79/01/04/622790104.db2.gz LUZWOLUDDUVWJZ-DOTOQJQBSA-N 0 1 288.391 2.755 20 30 CFEDMN Fc1cccc(Cl)c1C=NNc1cnccn1 ZINC000912959116 622804409 /nfs/dbraw/zinc/80/44/09/622804409.db2.gz UXRSGMKQUZURLX-UHFFFAOYSA-N 0 1 250.664 2.715 20 30 CFEDMN C=CC[C@@H]1CCN(C(=O)[C@@H]2C[C@H](C)Cc3c[nH]nc32)C1 ZINC000912982591 622812240 /nfs/dbraw/zinc/81/22/40/622812240.db2.gz LZVFPDFGRCWOMP-YRGRVCCFSA-N 0 1 273.380 2.500 20 30 CFEDMN COc1cc(C(=O)/C=C/c2cc(F)c(O)c(F)c2)on1 ZINC000821022081 622823851 /nfs/dbraw/zinc/82/38/51/622823851.db2.gz NZWKDVMXXRMYRU-NSCUHMNNSA-N 0 1 281.214 2.563 20 30 CFEDMN C#CC[C@H](CO)NCc1ccc(-c2c(F)cccc2F)o1 ZINC000821206437 622868375 /nfs/dbraw/zinc/86/83/75/622868375.db2.gz DJSUTVPNAQDDQY-LLVKDONJSA-N 0 1 291.297 2.699 20 30 CFEDMN CC(C)c1ccc([C@H]2C[C@@H]2C(=O)NCC#CCN(C)C)cc1 ZINC000913519072 622911099 /nfs/dbraw/zinc/91/10/99/622911099.db2.gz MJHCMMGROUIYNM-MSOLQXFVSA-N 0 1 298.430 2.595 20 30 CFEDMN O=C(/C=C/c1cnc2ccccn12)c1ccccc1O ZINC000156600317 622948326 /nfs/dbraw/zinc/94/83/26/622948326.db2.gz WHXLKDGDVPPEOC-CMDGGOBGSA-N 0 1 264.284 2.936 20 30 CFEDMN CCn1cc(/C=C/C(=O)c2ccc(C)cc2O)cn1 ZINC000156706337 622956251 /nfs/dbraw/zinc/95/62/51/622956251.db2.gz HXJMZKYRLHBFPD-FNORWQNLSA-N 0 1 256.305 2.813 20 30 CFEDMN CCCCCCCN1CCN(c2cnccn2)CC1 ZINC000157550046 623040891 /nfs/dbraw/zinc/04/08/91/623040891.db2.gz UNRMNGCQGZEHJT-UHFFFAOYSA-N 0 1 262.401 2.569 20 30 CFEDMN C=C[C@@H](CC)CC(=O)N(C)[C@H](c1nnc[nH]1)c1ccccc1 ZINC000822190698 623057708 /nfs/dbraw/zinc/05/77/08/623057708.db2.gz KHIHVXSQOKWMIZ-BBRMVZONSA-N 0 1 298.390 2.955 20 30 CFEDMN C#CCN(CCC(=O)OC(C)C)Cc1ccc(F)cc1 ZINC000157834988 623071065 /nfs/dbraw/zinc/07/10/65/623071065.db2.gz GIGYAJJLYHPRKC-UHFFFAOYSA-N 0 1 277.339 2.603 20 30 CFEDMN CCCCCCCN(C1CC1)[C@@H]1CCS(=O)(=O)C1 ZINC000158058629 623088212 /nfs/dbraw/zinc/08/82/12/623088212.db2.gz KQALRGJJBMAJQB-CQSZACIVSA-N 0 1 273.442 2.608 20 30 CFEDMN CCCCCNC(=O)C(C#N)C(=O)C1CCCCCC1 ZINC000171328435 623217089 /nfs/dbraw/zinc/21/70/89/623217089.db2.gz DKWHMBLSZCIWBF-AWEZNQCLSA-N 0 1 278.396 2.972 20 30 CFEDMN C[C@@H](C#N)Oc1ccc(CNCc2ccoc2)cc1 ZINC000171563246 623229416 /nfs/dbraw/zinc/22/94/16/623229416.db2.gz VSMFMVWPCKIZGB-LBPRGKRZSA-N 0 1 256.305 2.860 20 30 CFEDMN C#CCCCNC(=O)[C@@H](c1ccccc1)N(CC)CC ZINC000172936249 623321781 /nfs/dbraw/zinc/32/17/81/623321781.db2.gz HWLBYLMSMRFEAZ-MRXNPFEDSA-N 0 1 272.392 2.599 20 30 CFEDMN N#CC(C(=O)CCCC1CCCC1)C(=O)N1CCCC1 ZINC000173937023 623378321 /nfs/dbraw/zinc/37/83/21/623378321.db2.gz YDFNPWSCOTUIGB-AWEZNQCLSA-N 0 1 276.380 2.678 20 30 CFEDMN CCC[C@@H](C)C(=O)C(C#N)C(=O)Nc1ccccc1OC ZINC000173977487 623378925 /nfs/dbraw/zinc/37/89/25/623378925.db2.gz LDQSXOCDTUADJP-VXGBXAGGSA-N 0 1 288.347 2.779 20 30 CFEDMN C#CCN1CC[C@]2(NC(=O)c3ccoc3C3CC3)CCC[C@@H]12 ZINC000992140483 623467221 /nfs/dbraw/zinc/46/72/21/623467221.db2.gz WDCLRSYHANFJLF-CRAIPNDOSA-N 0 1 298.386 2.517 20 30 CFEDMN C=C(C)CONC(=O)C1=C(c2ccccc2)SCCO1 ZINC000824233795 623473545 /nfs/dbraw/zinc/47/35/45/623473545.db2.gz YGUMFFIKTNZCGC-UHFFFAOYSA-N 0 1 291.372 2.743 20 30 CFEDMN CC[C@H]1COCCN1Cc1c(C)cc(C#N)cc1C ZINC000929660606 623504048 /nfs/dbraw/zinc/50/40/48/623504048.db2.gz WWWOILVPMBZMDV-HNNXBMFYSA-N 0 1 258.365 2.786 20 30 CFEDMN N#CC1CCN(Cc2ccc(O[C@@H]3CCOC3)cc2)CC1 ZINC000824645253 623538760 /nfs/dbraw/zinc/53/87/60/623538760.db2.gz BOHKDYDVJVKNPE-QGZVFWFLSA-N 0 1 286.375 2.590 20 30 CFEDMN COC(=O)C1(C#N)CCN(Cc2cccc(C)c2C)CC1 ZINC000824861077 623580148 /nfs/dbraw/zinc/58/01/48/623580148.db2.gz GTQHRVWVCBLLHS-UHFFFAOYSA-N 0 1 286.375 2.582 20 30 CFEDMN C#CCN1CC[C@@]2(NC(=O)c3cccc(C)c3C)CCC[C@H]12 ZINC000992463844 623580648 /nfs/dbraw/zinc/58/06/48/623580648.db2.gz HFMYFHBTVALWJR-HKUYNNGSSA-N 0 1 296.414 2.663 20 30 CFEDMN COC(=O)C1(C#N)CCN(C[C@H](C)c2ccccc2)CC1 ZINC000824871384 623582341 /nfs/dbraw/zinc/58/23/41/623582341.db2.gz DZJXDDIGJCJUEY-AWEZNQCLSA-N 0 1 286.375 2.569 20 30 CFEDMN C#CCN1CC[C@]2(NC(=O)c3ccc(C)c(C)c3)CCC[C@H]12 ZINC000992468517 623587235 /nfs/dbraw/zinc/58/72/35/623587235.db2.gz PPQILFXLTGWVFR-PKOBYXMFSA-N 0 1 296.414 2.663 20 30 CFEDMN C#CCN1CC[C@]2(NC(=O)c3ccc(C)cc3C)CCC[C@H]12 ZINC000992487803 623614326 /nfs/dbraw/zinc/61/43/26/623614326.db2.gz ISDIXJZLDPCJMG-PKOBYXMFSA-N 0 1 296.414 2.663 20 30 CFEDMN CC1(C)CCC(CC(=O)[C@H](C#N)C(=O)NC2CC2)CC1 ZINC000152344580 623684654 /nfs/dbraw/zinc/68/46/54/623684654.db2.gz SQAMXFVDYFNUTE-ZDUSSCGKSA-N 0 1 276.380 2.580 20 30 CFEDMN C=CCC1(C(=O)NO[C@H]2CCCCO2)CCCC1 ZINC000825553854 623714353 /nfs/dbraw/zinc/71/43/53/623714353.db2.gz CNGWCPSPWIZMEA-LBPRGKRZSA-N 0 1 253.342 2.697 20 30 CFEDMN CC(=NNc1cc(C)nc(C)n1)c1cnc(C)s1 ZINC000761262367 623726339 /nfs/dbraw/zinc/72/63/39/623726339.db2.gz YTAZBPAJCVJYMK-UHFFFAOYSA-N 0 1 261.354 2.694 20 30 CFEDMN N#CC1(CNCc2ccc(Br)cc2O)CC1 ZINC000825752446 623751498 /nfs/dbraw/zinc/75/14/98/623751498.db2.gz AUOXYXCZZHEHHK-UHFFFAOYSA-N 0 1 281.153 2.548 20 30 CFEDMN N#CC1(C[NH2+]Cc2ccc(Br)cc2[O-])CC1 ZINC000825752446 623751503 /nfs/dbraw/zinc/75/15/03/623751503.db2.gz AUOXYXCZZHEHHK-UHFFFAOYSA-N 0 1 281.153 2.548 20 30 CFEDMN C=CCN1CCC[C@H](NC(=O)c2sccc2C)[C@@H]1C ZINC000992943682 623812896 /nfs/dbraw/zinc/81/28/96/623812896.db2.gz HDFMPIXBJDULLH-STQMWFEESA-N 0 1 278.421 2.825 20 30 CFEDMN C#CCCN1CCC[C@@H](NC(=O)c2ccc(C)s2)[C@@H]1C ZINC000992967781 623821323 /nfs/dbraw/zinc/82/13/23/623821323.db2.gz OITAUBHDSGDLFI-UONOGXRCSA-N 0 1 290.432 2.663 20 30 CFEDMN N#Cc1ccc(O)c(NC(=O)[C@H]2CC23CCSCC3)c1 ZINC000826603792 623822457 /nfs/dbraw/zinc/82/24/57/623822457.db2.gz KHSZNLWEFLEPDL-LLVKDONJSA-N 0 1 288.372 2.736 20 30 CFEDMN C=C(C)C[N@@H+]1CCC[C@H](NC(=O)Cc2cccs2)[C@H]1C ZINC000992981478 623828493 /nfs/dbraw/zinc/82/84/93/623828493.db2.gz LEISEDVGJGPFTG-HIFRSBDPSA-N 0 1 292.448 2.836 20 30 CFEDMN C=CC[N@@H+]1CCC[C@@H](NC(=O)c2cccc(F)c2)[C@@H]1C ZINC000992986977 623834308 /nfs/dbraw/zinc/83/43/08/623834308.db2.gz JDWKJZRFUAIGRU-SWLSCSKDSA-N 0 1 276.355 2.594 20 30 CFEDMN C=CCN1CCC[C@@H](NC(=O)c2cccc(F)c2)[C@@H]1C ZINC000992986977 623834317 /nfs/dbraw/zinc/83/43/17/623834317.db2.gz JDWKJZRFUAIGRU-SWLSCSKDSA-N 0 1 276.355 2.594 20 30 CFEDMN C=C(C)C[N@@H+]1CCC[C@H](NC(=O)c2cccc(F)c2)[C@H]1C ZINC000992986832 623834527 /nfs/dbraw/zinc/83/45/27/623834527.db2.gz HFYFKBGGDQPMTR-CJNGLKHVSA-N 0 1 290.382 2.985 20 30 CFEDMN C=C(C)CN1CCC[C@H](NC(=O)c2occc2C)[C@H]1C ZINC000993036544 623859540 /nfs/dbraw/zinc/85/95/40/623859540.db2.gz KXZGHGXNNSBZOT-KGLIPLIRSA-N 0 1 276.380 2.747 20 30 CFEDMN C[C@@H](CC#N)N(C)C[C@@H]1CC[C@H](NC(=O)OC(C)(C)C)C1 ZINC000929833498 623884841 /nfs/dbraw/zinc/88/48/41/623884841.db2.gz YZEUFJIXISMPNN-MJBXVCDLSA-N 0 1 295.427 2.914 20 30 CFEDMN CCc1nc(C)c(C(C)=NN=c2cc[nH]cn2)s1 ZINC000835000751 623925476 /nfs/dbraw/zinc/92/54/76/623925476.db2.gz AOLVJINBSZQRPJ-UHFFFAOYSA-N 0 1 261.354 2.640 20 30 CFEDMN Cc1nc(CC(C)C)sc1C(=O)NC1=NO[C@H](C)C1 ZINC000763257982 623948042 /nfs/dbraw/zinc/94/80/42/623948042.db2.gz DTXLHMGPAUVPTC-MRVPVSSYSA-N 0 1 281.381 2.502 20 30 CFEDMN Cc1csc(C(C#N)C(=O)c2ccc3[nH]cnc3c2)n1 ZINC000915100303 623981640 /nfs/dbraw/zinc/98/16/40/623981640.db2.gz REVNHGMXNQOOGZ-JTQLQIEISA-N 0 1 282.328 2.818 20 30 CFEDMN CCCCCCCCCCC(=O)N[C@@H]1CNC[C@@H]1C#N ZINC000834489106 625692640 /nfs/dbraw/zinc/69/26/40/625692640.db2.gz JQWFCPAVSJHTBM-LSDHHAIUSA-N 0 1 279.428 2.745 20 30 CFEDMN CCCCCCCCCCC(=O)N[C@@H]1CNC[C@H]1C#N ZINC000834489105 625693125 /nfs/dbraw/zinc/69/31/25/625693125.db2.gz JQWFCPAVSJHTBM-HUUCEWRRSA-N 0 1 279.428 2.745 20 30 CFEDMN C#C[C@@H](NCc1nc2ccccc2n1CC)C1CCOCC1 ZINC000827570796 624036803 /nfs/dbraw/zinc/03/68/03/624036803.db2.gz QVXBDGNMBWWZOW-OAHLLOKOSA-N 0 1 297.402 2.574 20 30 CFEDMN C=CCN1CCC[C@@H](NC(=O)c2ccoc2Cl)[C@@H]1C ZINC000993215030 624041504 /nfs/dbraw/zinc/04/15/04/624041504.db2.gz LIQSJXFJDXVXGJ-CMPLNLGQSA-N 0 1 282.771 2.702 20 30 CFEDMN C[C@]1(C#N)CCN(Cc2cc(Cl)cc(F)c2O)C1 ZINC000827650519 624052172 /nfs/dbraw/zinc/05/21/72/624052172.db2.gz RAJNHGRLSQJKSR-CYBMUJFWSA-N 0 1 268.719 2.920 20 30 CFEDMN C=CCN1CCC[C@@H](NC(=O)c2ccoc2CC)[C@H]1C ZINC000993264019 624059565 /nfs/dbraw/zinc/05/95/65/624059565.db2.gz LQFWCZYKTHQHIT-TZMCWYRMSA-N 0 1 276.380 2.611 20 30 CFEDMN CC#CCN1CCC[C@H](NC(=O)C2=CCCCCC2)[C@H]1C ZINC000993304415 624068815 /nfs/dbraw/zinc/06/88/15/624068815.db2.gz RXGTXSBPMTUSMI-WBVHZDCISA-N 0 1 288.435 2.869 20 30 CFEDMN C#CCCN1CCC[C@H](NC(=O)c2cc(C)cs2)[C@@H]1C ZINC000993306453 624072421 /nfs/dbraw/zinc/07/24/21/624072421.db2.gz GAQFCCPZKLFTGR-KBPBESRZSA-N 0 1 290.432 2.663 20 30 CFEDMN CC(C)CC(=O)CCN(C)Cc1ccc(C#N)cc1 ZINC000827712950 624073271 /nfs/dbraw/zinc/07/32/71/624073271.db2.gz QRJYOCMKJOJOEH-UHFFFAOYSA-N 0 1 258.365 2.995 20 30 CFEDMN C#CCCN(CCOC)Cc1ccc([N+](=O)[O-])c(Cl)c1 ZINC000827823449 624102386 /nfs/dbraw/zinc/10/23/86/624102386.db2.gz PEYXOCUYAWFTFS-UHFFFAOYSA-N 0 1 296.754 2.720 20 30 CFEDMN C#CCCN(CCOC)Cc1ccc([C@H]2C[C@@H]2C)o1 ZINC000827823591 624103890 /nfs/dbraw/zinc/10/38/90/624103890.db2.gz QQSZUQOQXMSTAO-ZFWWWQNUSA-N 0 1 261.365 2.875 20 30 CFEDMN C#CCCN(CCOC)Cc1cnc(CC(C)C)s1 ZINC000827823938 624103910 /nfs/dbraw/zinc/10/39/10/624103910.db2.gz XGTOVUXRBGNWOH-UHFFFAOYSA-N 0 1 280.437 2.813 20 30 CFEDMN C=CCN1CCC[C@@H](NC(=O)c2ccc(C)c(F)c2)[C@@H]1C ZINC000993576337 624150466 /nfs/dbraw/zinc/15/04/66/624150466.db2.gz UEYIHQASJAGVEU-XJKSGUPXSA-N 0 1 290.382 2.903 20 30 CFEDMN C=CCN1CCC[C@@H](NC(=O)c2cc3ncccc3o2)[C@H]1C ZINC000993603522 624153535 /nfs/dbraw/zinc/15/35/35/624153535.db2.gz NGIANZFVQLKENJ-CHWSQXEVSA-N 0 1 299.374 2.597 20 30 CFEDMN CC#CCN1CCC[C@@H](NC(=O)C2(C)CCCC2)[C@@H]1C ZINC000993637391 624154832 /nfs/dbraw/zinc/15/48/32/624154832.db2.gz SFBOBJDHJIVCCV-LSDHHAIUSA-N 0 1 276.424 2.559 20 30 CFEDMN CC#CCN1CCC[C@@H](NC(=O)Cc2cccc(C)c2)[C@@H]1C ZINC000993715107 624160906 /nfs/dbraw/zinc/16/09/06/624160906.db2.gz MMFADPTWYYNWDA-FUHWJXTLSA-N 0 1 298.430 2.530 20 30 CFEDMN C=CCN1CCC[C@H](NC(=O)c2cc(C)cc(F)c2)[C@@H]1C ZINC000993832182 624171024 /nfs/dbraw/zinc/17/10/24/624171024.db2.gz BAURKHTUEWYMFX-BBRMVZONSA-N 0 1 290.382 2.903 20 30 CFEDMN C=CCN1CCC[C@@H](NC(=O)c2cc(C)ccc2F)[C@H]1C ZINC000993857229 624171199 /nfs/dbraw/zinc/17/11/99/624171199.db2.gz DEGFNRHGWXGVNT-CZUORRHYSA-N 0 1 290.382 2.903 20 30 CFEDMN C=CCN1CCC[C@H](NC(=O)c2ccc3cc[nH]c3c2)[C@H]1C ZINC000993904563 624174029 /nfs/dbraw/zinc/17/40/29/624174029.db2.gz PZOHOZFIGNFQAW-CJNGLKHVSA-N 0 1 297.402 2.937 20 30 CFEDMN C=CCN1CCC[C@@H](NC(=O)C2(F)CCCCC2)[C@H]1C ZINC000994154870 624180000 /nfs/dbraw/zinc/18/00/00/624180000.db2.gz DEWSWODZSSIOIN-ZIAGYGMSSA-N 0 1 282.403 2.814 20 30 CFEDMN C=CCN1CCC[C@H](NC(=O)c2csc(Cl)n2)[C@H]1C ZINC000994170973 624181732 /nfs/dbraw/zinc/18/17/32/624181732.db2.gz VKTQSWGHDBJYGV-ZJUUUORDSA-N 0 1 299.827 2.565 20 30 CFEDMN Cc1n[nH]cc1CN=Nc1ccc2ccccc2n1 ZINC000915939116 624195085 /nfs/dbraw/zinc/19/50/85/624195085.db2.gz IEHTXPUMQRJFGH-UHFFFAOYSA-N 0 1 251.293 2.712 20 30 CFEDMN Cc1n[nH]cc1C=NN=c1ccc2ccccc2[nH]1 ZINC000915939116 624195086 /nfs/dbraw/zinc/19/50/86/624195086.db2.gz IEHTXPUMQRJFGH-UHFFFAOYSA-N 0 1 251.293 2.712 20 30 CFEDMN Cc1cc(NN=Cc2cnn(-c3ccccc3)c2)nc(C)n1 ZINC000915967411 624196048 /nfs/dbraw/zinc/19/60/48/624196048.db2.gz HUAMQTYJISMCQT-UHFFFAOYSA-N 0 1 292.346 2.725 20 30 CFEDMN CCc1ccc(C=NNCCN2CCCCC2)cc1 ZINC000915973809 624198730 /nfs/dbraw/zinc/19/87/30/624198730.db2.gz MRRIJWQMMVSHMM-UHFFFAOYSA-N 0 1 259.397 2.658 20 30 CFEDMN CC(=NNCCN1CCCCC1)c1cccs1 ZINC000915974630 624199921 /nfs/dbraw/zinc/19/99/21/624199921.db2.gz VETFJWHEYZGIOC-UHFFFAOYSA-N 0 1 251.399 2.548 20 30 CFEDMN C#CCN1CCC[C@H](NC(=O)[C@H]2CC[C@H](CC)CC2)[C@H]1C ZINC000994250703 624230944 /nfs/dbraw/zinc/23/09/44/624230944.db2.gz KYPUPDQXKAOTIT-VQHPVUNQSA-N 0 1 290.451 2.805 20 30 CFEDMN Fc1cccc(C=Nn2c(=S)[nH]nc2C(F)(F)F)c1 ZINC000916304985 624238394 /nfs/dbraw/zinc/23/83/94/624238394.db2.gz JEIMPCKTWISJAW-UHFFFAOYSA-N 0 1 290.245 2.607 20 30 CFEDMN CCN(CC)c1ncc(C=NNCC(C)C)s1 ZINC000916365492 624241960 /nfs/dbraw/zinc/24/19/60/624241960.db2.gz AOYRRCVOQILAGS-UHFFFAOYSA-N 0 1 254.403 2.569 20 30 CFEDMN Cn1c2ccccc2[nH]c1=NN=Cc1ccc([N+](=O)[O-])cc1 ZINC000916657374 624270755 /nfs/dbraw/zinc/27/07/55/624270755.db2.gz OONWKWPTKNFHMW-UHFFFAOYSA-N 0 1 295.302 2.928 20 30 CFEDMN C#CCC[N@@H+]1CCC[C@@H](NC(=O)c2ccc(C)c(C)c2)[C@@H]1C ZINC000994352850 624278219 /nfs/dbraw/zinc/27/82/19/624278219.db2.gz OHJHHNNNXZVUPA-FUHWJXTLSA-N 0 1 298.430 2.909 20 30 CFEDMN C=CCN(CC(=O)NC1CCC(C)CC1)C(C)C ZINC000917069795 624307014 /nfs/dbraw/zinc/30/70/14/624307014.db2.gz WAXJFNRDDWMVFC-UHFFFAOYSA-N 0 1 252.402 2.578 20 30 CFEDMN C=CCN(CC(=O)N[C@@H](C)c1cccs1)C(C)C ZINC000917070813 624307592 /nfs/dbraw/zinc/30/75/92/624307592.db2.gz GELRVFOFKPUSLP-LBPRGKRZSA-N 0 1 266.410 2.822 20 30 CFEDMN C=CCN(CC(=O)N[C@H](C)CCCCC)C(C)C ZINC000917071814 624307666 /nfs/dbraw/zinc/30/76/66/624307666.db2.gz ZGAKFTFZSJEWDS-CQSZACIVSA-N 0 1 254.418 2.968 20 30 CFEDMN C=C(Cl)CN1C[C@@H]2CN(c3ccccc3)C[C@@H]2C1 ZINC000917081804 624307685 /nfs/dbraw/zinc/30/76/85/624307685.db2.gz HTMWSGOHPBAXKC-OKILXGFUSA-N 0 1 262.784 2.807 20 30 CFEDMN C=CCN(CC(=O)N[C@H]1CCCC[C@@H]1C)C(C)C ZINC000917070872 624308047 /nfs/dbraw/zinc/30/80/47/624308047.db2.gz IPSYBXCURCODJQ-KBPBESRZSA-N 0 1 252.402 2.578 20 30 CFEDMN C=CCN1CCC[C@H](NC(=O)c2ccc(CF)cc2)[C@H]1C ZINC000994498887 624313826 /nfs/dbraw/zinc/31/38/26/624313826.db2.gz UTVWPAAMRJSTJZ-CJNGLKHVSA-N 0 1 290.382 2.925 20 30 CFEDMN C=CCN1CCC[C@H](NC(=O)c2cccc3c2CCC3)[C@H]1C ZINC000994512295 624317911 /nfs/dbraw/zinc/31/79/11/624317911.db2.gz UVEXDWCTXMNKEZ-KDOFPFPSSA-N 0 1 298.430 2.944 20 30 CFEDMN C=CCN(CC(=O)N(C)[C@H](C)CC(C)C)C(C)C ZINC000917168733 624320186 /nfs/dbraw/zinc/32/01/86/624320186.db2.gz YSNXLDCZNNLLMY-CQSZACIVSA-N 0 1 254.418 2.776 20 30 CFEDMN COC(=O)C(C)(C)N(C)CCCCC1(C#N)CCC1 ZINC000929969292 624325456 /nfs/dbraw/zinc/32/54/56/624325456.db2.gz KYQARKQXZHHIIP-UHFFFAOYSA-N 0 1 266.385 2.734 20 30 CFEDMN Cc1[nH]n(Cc2ccccc2C)c(=O)c1CCC#N ZINC000917345936 624333576 /nfs/dbraw/zinc/33/35/76/624333576.db2.gz RFIQXSUYYFAZJN-AWEZNQCLSA-N 0 1 255.321 2.633 20 30 CFEDMN CC[C@H](C#N)OC(=O)c1ccc(CN2CCCCC2)o1 ZINC000923831375 624343819 /nfs/dbraw/zinc/34/38/19/624343819.db2.gz GERIZIODHMCJEB-GFCCVEGCSA-N 0 1 276.336 2.724 20 30 CFEDMN CC(=NNc1ncnc2[nH]cnc21)c1cc(C)sc1C ZINC000917555881 624359547 /nfs/dbraw/zinc/35/95/47/624359547.db2.gz ZFOQJGWWIQNHCD-UHFFFAOYSA-N 0 1 286.364 2.867 20 30 CFEDMN CC(C)Oc1ccc(C=NNc2ncnc3[nH]cnc32)cc1 ZINC000917556199 624359612 /nfs/dbraw/zinc/35/96/12/624359612.db2.gz VUJJVMUPDYQUDA-UHFFFAOYSA-N 0 1 296.334 2.586 20 30 CFEDMN C#CC[C@@H]1CCCN(CC(=O)N[C@@H](C)c2cccs2)C1 ZINC000829768330 624528194 /nfs/dbraw/zinc/52/81/94/624528194.db2.gz CBEDWGKSTGHGEH-UONOGXRCSA-N 0 1 290.432 2.661 20 30 CFEDMN C#CC[C@H]1CCCN(Cc2nnc(-c3ccccc3)n2C)C1 ZINC000829805509 624546807 /nfs/dbraw/zinc/54/68/07/624546807.db2.gz UMQRKMAJPIMRPN-HNNXBMFYSA-N 0 1 294.402 2.717 20 30 CFEDMN Cc1ccc2nc([C@H]3CCCN3CCO[C@H](C)C#N)[nH]c2c1 ZINC000829868935 624572649 /nfs/dbraw/zinc/57/26/49/624572649.db2.gz VTAGOGPHUSARND-CZUORRHYSA-N 0 1 298.390 2.937 20 30 CFEDMN C#CC1CCN(CC(=O)N2c3ccccc3CC[C@H]2C)CC1 ZINC000830301339 624703065 /nfs/dbraw/zinc/70/30/65/624703065.db2.gz JNHLATJZYMUZOI-OAHLLOKOSA-N 0 1 296.414 2.700 20 30 CFEDMN C#CC1CCN(CC(=O)N[C@@H](c2ccccc2)C(C)C)CC1 ZINC000830305746 624704296 /nfs/dbraw/zinc/70/42/96/624704296.db2.gz TVNKTJUWWDVIPG-LJQANCHMSA-N 0 1 298.430 2.845 20 30 CFEDMN C#CC1CCN([C@@H](C)C(=O)Nc2cc(F)ccc2C)CC1 ZINC000830316580 624706009 /nfs/dbraw/zinc/70/60/09/624706009.db2.gz YQWSPRXHCVJWDA-ZDUSSCGKSA-N 0 1 288.366 2.806 20 30 CFEDMN C#CC1CCN([C@@H](C)C(=O)Nc2cc(C)cc(C)c2)CC1 ZINC000830316238 624706389 /nfs/dbraw/zinc/70/63/89/624706389.db2.gz JYCIRKKEUAPLHN-HNNXBMFYSA-N 0 1 284.403 2.976 20 30 CFEDMN C[C@@H]1CCCC[C@H]1CC(=O)[C@H](C#N)C(=O)NC1CCCC1 ZINC000920790658 624772069 /nfs/dbraw/zinc/77/20/69/624772069.db2.gz FVVWNOUUWBGTGN-IPYPFGDCSA-N 0 1 290.407 2.970 20 30 CFEDMN N#CC(C(=O)CCC1CCC1)c1nnc2n1CCCCC2 ZINC000175121266 624927131 /nfs/dbraw/zinc/92/71/31/624927131.db2.gz KNMWXVVDKFGXNQ-ZDUSSCGKSA-N 0 1 286.379 2.761 20 30 CFEDMN C#CCC(C)(C)C(=O)NCc1nc2cccc(C)c2[nH]1 ZINC000767097423 624945374 /nfs/dbraw/zinc/94/53/74/624945374.db2.gz VTZBDOYBALUVHJ-UHFFFAOYSA-N 0 1 269.348 2.537 20 30 CFEDMN CC1(C)CCC[C@](O)(C(=O)Nc2cc(C#N)ccc2O)C1 ZINC000831271308 624980753 /nfs/dbraw/zinc/98/07/53/624980753.db2.gz FBXAFZLNHVZJAI-MRXNPFEDSA-N 0 1 288.347 2.534 20 30 CFEDMN CO[C@H](C(=O)Nc1cc(C#N)ccc1O)C1CCCCC1 ZINC000831272355 624981139 /nfs/dbraw/zinc/98/11/39/624981139.db2.gz VMCNXLDHTWIVIQ-HNNXBMFYSA-N 0 1 288.347 2.798 20 30 CFEDMN C[C@@H](CC#N)NCCc1ccccc1Br ZINC000068615288 625015100 /nfs/dbraw/zinc/01/51/00/625015100.db2.gz OFAQSVFEGCDFKA-JTQLQIEISA-N 0 1 267.170 2.883 20 30 CFEDMN C#CCCCCC(=O)C(C#N)C(=O)Nc1ccccc1 ZINC000180737090 625037798 /nfs/dbraw/zinc/03/77/98/625037798.db2.gz SSQDWTUZOUGOGR-AWEZNQCLSA-N 0 1 268.316 2.528 20 30 CFEDMN CC[C@H](c1ccccc1)N1CCC(C#N)(C(=O)OC)CC1 ZINC000831691717 625098600 /nfs/dbraw/zinc/09/86/00/625098600.db2.gz UHCLHZBRLXWBBO-OAHLLOKOSA-N 0 1 286.375 2.916 20 30 CFEDMN CCCCCCNC(=O)C(C#N)C(=O)CCCC ZINC000069911010 625243948 /nfs/dbraw/zinc/24/39/48/625243948.db2.gz KFKSGUNPMOXMBE-LBPRGKRZSA-N 0 1 252.358 2.582 20 30 CFEDMN CCCCCCNC(=O)C(C#N)C(=O)[C@H](C)C(C)C ZINC000073088142 625773268 /nfs/dbraw/zinc/77/32/68/625773268.db2.gz YBHWUMJFPIMTGC-OLZOCXBDSA-N 0 1 266.385 2.684 20 30 CFEDMN CC1(C#N)CCC(=NNCCN2CCCCC2)CC1 ZINC000834942310 625930211 /nfs/dbraw/zinc/93/02/11/625930211.db2.gz IEBSNFCQYRTUIF-UHFFFAOYSA-N 0 1 262.401 2.522 20 30 CFEDMN CC1(C)CCC[C@@H]1NN=C1CCCc2nc(N)ccc21 ZINC000834978534 625942702 /nfs/dbraw/zinc/94/27/02/625942702.db2.gz VIOOMRNEVZOVLF-AWEZNQCLSA-N 0 1 272.396 2.873 20 30 CFEDMN CCCCc1nc(Cl)c(C=NNc2ccncn2)[nH]1 ZINC000835001057 625949932 /nfs/dbraw/zinc/94/99/32/625949932.db2.gz JNQWTDCXUOQISQ-UHFFFAOYSA-N 0 1 278.747 2.642 20 30 CFEDMN CC1(C)OCC[C@H]1NN=C1CC[C@@H]2CNc3cccc1c32 ZINC000835020714 625966092 /nfs/dbraw/zinc/96/60/92/625966092.db2.gz JZHXSNOOEUJIAQ-IAQYHMDHSA-N 0 1 285.391 2.851 20 30 CFEDMN C=CCN1CC[C@@H](NC(=O)c2cccc(C3CCC3)c2)C1 ZINC001015987294 625986989 /nfs/dbraw/zinc/98/69/89/625986989.db2.gz HPIDDZJTHGSOOC-QGZVFWFLSA-N 0 1 284.403 2.944 20 30 CFEDMN CC[C@@H](C)NC(=O)[C@@H](C)NCc1c(C)cc(C#N)cc1C ZINC000921617991 625995758 /nfs/dbraw/zinc/99/57/58/625995758.db2.gz HGAGEMOIONMFPD-ZIAGYGMSSA-N 0 1 287.407 2.568 20 30 CFEDMN CC[C@H](C)C(=O)N1CCC[C@H](NCc2ccccc2C#N)C1 ZINC000998587263 626057641 /nfs/dbraw/zinc/05/76/41/626057641.db2.gz JQEURACYSDIXFR-YOEHRIQHSA-N 0 1 299.418 2.685 20 30 CFEDMN C=C(Cl)CN[C@H]1CCCN(C(=O)C2(C)CCCC2)C1 ZINC000999833438 626081957 /nfs/dbraw/zinc/08/19/57/626081957.db2.gz LHYNZRXSMKCFLP-ZDUSSCGKSA-N 0 1 284.831 2.900 20 30 CFEDMN Cc1nn(C)cc1[C@H](C)NCc1csc(C#N)c1 ZINC000921688368 626084584 /nfs/dbraw/zinc/08/45/84/626084584.db2.gz VFAUZDLQZFMQCP-VIFPVBQESA-N 0 1 260.366 2.513 20 30 CFEDMN C=C(Cl)CN[C@@H]1CCCN(C(=O)c2cc(C)co2)C1 ZINC000999962187 626084702 /nfs/dbraw/zinc/08/47/02/626084702.db2.gz YOHNECBAAHXNKW-GFCCVEGCSA-N 0 1 282.771 2.535 20 30 CFEDMN C=C[C@@](C)(CC)C(=O)N1CCC[C@H](NCC(=C)Cl)C1 ZINC001000087645 626086834 /nfs/dbraw/zinc/08/68/34/626086834.db2.gz IMOGLZGJEKGNRV-ZFWWWQNUSA-N 0 1 284.831 2.922 20 30 CFEDMN C=C(Cl)CN[C@H]1CCCN(C(=O)C2(C)CC=CC2)C1 ZINC001000076095 626086931 /nfs/dbraw/zinc/08/69/31/626086931.db2.gz CSBJHHFUNGBPPN-ZDUSSCGKSA-N 0 1 282.815 2.676 20 30 CFEDMN C=C(Cl)CN[C@@H]1CCCN(C(=O)C2(CC)CC2)C1 ZINC001000102043 626087160 /nfs/dbraw/zinc/08/71/60/626087160.db2.gz GCURKHSMSUYHER-GFCCVEGCSA-N 0 1 270.804 2.510 20 30 CFEDMN Cc1cc(C#N)cc(C)c1CNCC(=O)NC1CCCCC1 ZINC000921726517 626099570 /nfs/dbraw/zinc/09/95/70/626099570.db2.gz GFCIYZKKPPEKKB-UHFFFAOYSA-N 0 1 299.418 2.714 20 30 CFEDMN C=CC[C@@H](NCc1cnn(CCF)c1)c1ccncc1 ZINC000921746602 626105435 /nfs/dbraw/zinc/10/54/35/626105435.db2.gz GHBLZZCUFOVYHM-OAHLLOKOSA-N 0 1 274.343 2.655 20 30 CFEDMN C#CCN1CC=C(CNC(=O)[C@@H]2CCC(C)=C(C)C2)CC1 ZINC001000728956 626129566 /nfs/dbraw/zinc/12/95/66/626129566.db2.gz BADBWSRPXPINEB-QGZVFWFLSA-N 0 1 286.419 2.504 20 30 CFEDMN Cc1ccccc1[C@@H](CO)NCc1csc(C#N)c1 ZINC000921810813 626137364 /nfs/dbraw/zinc/13/73/64/626137364.db2.gz SJDRVKLPCBLZSP-OAHLLOKOSA-N 0 1 272.373 2.751 20 30 CFEDMN CC#CCN1CC=C(CNC(=O)c2ccc(CC)cc2)CC1 ZINC001001422743 626157949 /nfs/dbraw/zinc/15/79/49/626157949.db2.gz HTSGNIFYROYPTL-UHFFFAOYSA-N 0 1 296.414 2.634 20 30 CFEDMN C=CC[N@@H+]1CC=C(CNC(=O)C2C[C@@H](C)C[C@H](C)C2)CC1 ZINC001001485930 626159708 /nfs/dbraw/zinc/15/97/08/626159708.db2.gz IKGBUMUFAHYPCJ-GJZGRUSLSA-N 0 1 290.451 2.993 20 30 CFEDMN C[C@@H]1OCC[C@@H]1NCc1cc(C#N)ccc1Br ZINC000921949222 626184237 /nfs/dbraw/zinc/18/42/37/626184237.db2.gz IIKONJXZANMGNF-ZANVPECISA-N 0 1 295.180 2.588 20 30 CFEDMN CC#CCN1CCC(NC(=O)[C@H]2CCC(C)=C(C)C2)CC1 ZINC001002891098 626202417 /nfs/dbraw/zinc/20/24/17/626202417.db2.gz ODUIVOXUFSQYEH-INIZCTEOSA-N 0 1 288.435 2.727 20 30 CFEDMN COc1cc(CNCc2cnn(C3CCC3)c2)ccc1C#N ZINC000922142144 626216766 /nfs/dbraw/zinc/21/67/66/626216766.db2.gz WUNHLEVKQBZFHV-UHFFFAOYSA-N 0 1 296.374 2.778 20 30 CFEDMN CC[C@H](NC[C@H](O)c1ccc(C#N)cc1)c1nccs1 ZINC000080304383 626238928 /nfs/dbraw/zinc/23/89/28/626238928.db2.gz CKAYIAKWICQGOF-KBPBESRZSA-N 0 1 287.388 2.789 20 30 CFEDMN CC#CCN1CCC(NC(=O)[C@@H]2CCCC(C)(C)C2)CC1 ZINC001004227369 626314085 /nfs/dbraw/zinc/31/40/85/626314085.db2.gz AHJKIZDYYSDXHN-OAHLLOKOSA-N 0 1 290.451 2.807 20 30 CFEDMN Cc1ccc(CNCc2ccnn2CC2CC2)cc1C#N ZINC000922759461 626359531 /nfs/dbraw/zinc/35/95/31/626359531.db2.gz IXISUFDTOCDNRI-UHFFFAOYSA-N 0 1 280.375 2.763 20 30 CFEDMN CCn1nc(C)c(CNCc2ccc(C)c(C#N)c2)c1C ZINC000922759862 626359898 /nfs/dbraw/zinc/35/98/98/626359898.db2.gz WTCMGKXKXQIYTE-UHFFFAOYSA-N 0 1 282.391 2.990 20 30 CFEDMN CCC(=O)N1CCCC[C@@H]1[C@@H](C)NCc1ccccc1C#N ZINC001004652658 626393257 /nfs/dbraw/zinc/39/32/57/626393257.db2.gz INNBNNZYOBZOES-RHSMWYFYSA-N 0 1 299.418 2.827 20 30 CFEDMN CC#CCN1CCC(N(C)C(=O)C(F)=C2CCCC2)CC1 ZINC001005247429 626413448 /nfs/dbraw/zinc/41/34/48/626413448.db2.gz VSNVBFYZKXIBTC-UHFFFAOYSA-N 0 1 292.398 2.730 20 30 CFEDMN CCc1onc(C)c1CNCc1cccc(C#N)c1 ZINC000922988556 626439919 /nfs/dbraw/zinc/43/99/19/626439919.db2.gz QTSAVJAOIOQVBC-UHFFFAOYSA-N 0 1 255.321 2.707 20 30 CFEDMN C#CCN1CCC(N(C)C(=O)c2csc(Cl)c2)CC1 ZINC001006088608 626474055 /nfs/dbraw/zinc/47/40/55/626474055.db2.gz UUWPQUYQCLCFSO-UHFFFAOYSA-N 0 1 296.823 2.571 20 30 CFEDMN C=CCN1CC[C@@H](NC(=O)c2ccc(CC)c(CC)c2)C1 ZINC001016444130 626482291 /nfs/dbraw/zinc/48/22/91/626482291.db2.gz SKNLNCICRXBJRO-QGZVFWFLSA-N 0 1 286.419 2.802 20 30 CFEDMN CCC(C)(C)OCC(=O)C(C#N)c1nc(C)cs1 ZINC000838783041 626506235 /nfs/dbraw/zinc/50/62/35/626506235.db2.gz DCOJEVGYRSGOLA-SNVBAGLBSA-N 0 1 266.366 2.833 20 30 CFEDMN C[C@@H](C(=O)C(C#N)C(=O)Nc1ccccc1)C1CCC1 ZINC000838785887 626506723 /nfs/dbraw/zinc/50/67/23/626506723.db2.gz CABUUMZWMLWQCT-RISCZKNCSA-N 0 1 270.332 2.770 20 30 CFEDMN C[C@]1(C(=O)C(C#N)c2cnc3ccccc3n2)CCCCO1 ZINC000838867637 626512226 /nfs/dbraw/zinc/51/22/26/626512226.db2.gz BLNZUQHNGNMTFM-YVEFUNNKSA-N 0 1 295.342 2.765 20 30 CFEDMN C#CCC[C@H](C)OC(=O)[C@@H](C(C)C)N1CCCCC1 ZINC000839043872 626523603 /nfs/dbraw/zinc/52/36/03/626523603.db2.gz VENBQYASFGURJG-LSDHHAIUSA-N 0 1 265.397 2.842 20 30 CFEDMN CC1(C#N)CN(Cc2cccc(Br)c2O)C1 ZINC000839131829 626527833 /nfs/dbraw/zinc/52/78/33/626527833.db2.gz DPKAHLUHMAOFLI-UHFFFAOYSA-N 0 1 281.153 2.500 20 30 CFEDMN C#CC[C@@H](Nc1ncnc2[nH]cnc21)c1ccccc1 ZINC000756956345 626542701 /nfs/dbraw/zinc/54/27/01/626542701.db2.gz CFXKUNHLGKURIC-GFCCVEGCSA-N 0 1 263.304 2.529 20 30 CFEDMN C#CC[C@@H](NCc1cnc2cnccn12)c1ccccc1 ZINC000756995875 626543141 /nfs/dbraw/zinc/54/31/41/626543141.db2.gz KZNPKWAAOZPNFG-MRXNPFEDSA-N 0 1 276.343 2.584 20 30 CFEDMN C#CC[C@H](NCc1ccc(C(=O)N(C)C)[nH]1)c1ccccc1 ZINC000756995457 626543254 /nfs/dbraw/zinc/54/32/54/626543254.db2.gz IBXSUFQSJWDNTQ-INIZCTEOSA-N 0 1 295.386 2.571 20 30 CFEDMN COc1ccc(C(=O)/C=C\c2c(C)n[nH]c2C)c(O)c1 ZINC000757473212 626553149 /nfs/dbraw/zinc/55/31/49/626553149.db2.gz UPRFBVDGFHQDAT-SREVYHEPSA-N 0 1 272.304 2.637 20 30 CFEDMN O=C(/C=C/c1cnc(N2CCCC2)nc1)c1ccccc1O ZINC000757473705 626553232 /nfs/dbraw/zinc/55/32/32/626553232.db2.gz GOINVALEJCBVTE-BQYQJAHWSA-N 0 1 295.342 2.679 20 30 CFEDMN CCCCCCN(C)CC(=O)N1CCc2ccc(C#N)cc21 ZINC000757510558 626553993 /nfs/dbraw/zinc/55/39/93/626553993.db2.gz NYQNTAVPXDRUCZ-UHFFFAOYSA-N 0 1 299.418 2.959 20 30 CFEDMN N#Cc1ccc(F)c(COC(=O)[C@@H]2CCCc3[nH]ncc32)c1 ZINC000757903809 626567228 /nfs/dbraw/zinc/56/72/28/626567228.db2.gz WDTHAPXNMUBCDF-GFCCVEGCSA-N 0 1 299.305 2.584 20 30 CFEDMN CC(C)(C)c1noc(C=NN=c2cnc3ccccc3[nH]2)n1 ZINC000758107125 626576614 /nfs/dbraw/zinc/57/66/14/626576614.db2.gz JGYDHXPWVCHNNV-UHFFFAOYSA-N 0 1 296.334 2.756 20 30 CFEDMN Fc1ccc(NN=Cc2nc(Cl)cs2)nc1 ZINC000758111198 626577043 /nfs/dbraw/zinc/57/70/43/626577043.db2.gz SAJDTCOFLLOATJ-UHFFFAOYSA-N 0 1 256.693 2.777 20 30 CFEDMN C[C@@H]1CN(C2CC2)CC1=NOCc1ccc(F)cc1 ZINC000758143053 626578987 /nfs/dbraw/zinc/57/89/87/626578987.db2.gz OOBRFRKSQXJBPQ-LLVKDONJSA-N 0 1 262.328 2.812 20 30 CFEDMN N#Cc1cccn(CN2CCC[C@@H]2C2CCCCC2)c1=O ZINC000758191237 626581266 /nfs/dbraw/zinc/58/12/66/626581266.db2.gz OGQOEKHGYSSBDO-MRXNPFEDSA-N 0 1 285.391 2.722 20 30 CFEDMN CCCN(Cc1ccc(C)cc1)Cn1cccc(C#N)c1=O ZINC000758196171 626581604 /nfs/dbraw/zinc/58/16/04/626581604.db2.gz IEINWHPNYCBWOW-UHFFFAOYSA-N 0 1 295.386 2.898 20 30 CFEDMN CC[C@H](C)[C@H]1CCCC[N@H+]1Cn1cccc(C#N)c1=O ZINC000758225638 626583985 /nfs/dbraw/zinc/58/39/85/626583985.db2.gz ZHKVBNGEVLBFCU-DZGCQCFKSA-N 0 1 273.380 2.578 20 30 CFEDMN CC[C@H](C)[C@H]1CCCCN1Cn1cccc(C#N)c1=O ZINC000758225638 626583986 /nfs/dbraw/zinc/58/39/86/626583986.db2.gz ZHKVBNGEVLBFCU-DZGCQCFKSA-N 0 1 273.380 2.578 20 30 CFEDMN C#CCNC(=S)Nc1ccccc1SC[C@H](C)C#N ZINC000758236800 626584266 /nfs/dbraw/zinc/58/42/66/626584266.db2.gz ZTDAOCGALVXSGN-LLVKDONJSA-N 0 1 289.429 2.858 20 30 CFEDMN CCC[C@@H](C)[C@H]1CCCN1Cn1ccc(C)c(C#N)c1=O ZINC000758237988 626584779 /nfs/dbraw/zinc/58/47/79/626584779.db2.gz IJZBNKPJZOBVHD-GDBMZVCRSA-N 0 1 287.407 2.887 20 30 CFEDMN CC[C@@H]1CCCC1N=Nc1cn[nH]c(=O)c1Cl ZINC000758374245 626590296 /nfs/dbraw/zinc/59/02/96/626590296.db2.gz PQXMWMSYYYTXOH-SSDOTTSWSA-N 0 1 254.721 2.814 20 30 CFEDMN COc1cc2c(cc1CN=Nc1cc(C)ccn1)OCO2 ZINC000758878960 626614787 /nfs/dbraw/zinc/61/47/87/626614787.db2.gz OEVAYMNFIPASLJ-UHFFFAOYSA-N 0 1 285.303 2.573 20 30 CFEDMN CCCCCCCCC(=O)N1CCN([C@H](CC)CO)CC1 ZINC000759628619 626678054 /nfs/dbraw/zinc/67/80/54/626678054.db2.gz SYXJCGLQLOQQRA-MRXNPFEDSA-N 0 1 298.471 2.652 20 30 CFEDMN COc1cccc(NC(=O)C(C#N)C(=O)[C@H]2CC23CCC3)c1 ZINC000759833534 626694662 /nfs/dbraw/zinc/69/46/62/626694662.db2.gz IYFOMQJBHFCDNR-ZIAGYGMSSA-N 0 1 298.342 2.533 20 30 CFEDMN Cc1cccc(NC(=O)C(C#N)C(=O)[C@H]2CC23CCC3)c1 ZINC000759835745 626694789 /nfs/dbraw/zinc/69/47/89/626694789.db2.gz UUOWXGYTQMHAIN-ZIAGYGMSSA-N 0 1 282.343 2.833 20 30 CFEDMN COc1ccc(NC(=O)C(C#N)C(=O)[C@@H]2CC23CCC3)cc1 ZINC000759835777 626694799 /nfs/dbraw/zinc/69/47/99/626694799.db2.gz VQDLOQWMFCSNCV-KGLIPLIRSA-N 0 1 298.342 2.533 20 30 CFEDMN Clc1cnccc1N=NCc1cccc(-n2cccn2)c1 ZINC000760258783 626725688 /nfs/dbraw/zinc/72/56/88/626725688.db2.gz CHCNFJRQOJESNK-UHFFFAOYSA-N 0 1 297.749 2.789 20 30 CFEDMN N#CC(C(=O)CCc1cc(F)ccc1F)c1ccncn1 ZINC000760343692 626737533 /nfs/dbraw/zinc/73/75/33/626737533.db2.gz DLMABMFJZVRAHT-LBPRGKRZSA-N 0 1 287.269 2.564 20 30 CFEDMN N#CC(C(=O)C=Cc1cccc(F)c1)c1ccncn1 ZINC000760356545 626739038 /nfs/dbraw/zinc/73/90/38/626739038.db2.gz IFMNBTIQFNBPBV-ZFDPJTLLSA-N 0 1 267.263 2.505 20 30 CFEDMN N#CC(C(=O)CCCc1cccs1)c1ccncn1 ZINC000760359118 626739676 /nfs/dbraw/zinc/73/96/76/626739676.db2.gz RTNQJQFMQXMLPA-LBPRGKRZSA-N 0 1 271.345 2.737 20 30 CFEDMN CC[C@]1(C)COCCN1Cc1ccc(OCC#N)cc1 ZINC000761109479 626806044 /nfs/dbraw/zinc/80/60/44/626806044.db2.gz ILDWMZXSDBDSCH-MRXNPFEDSA-N 0 1 274.364 2.590 20 30 CFEDMN C#CCOCCN(C)Cc1cc(Br)cs1 ZINC000761115347 626807631 /nfs/dbraw/zinc/80/76/31/626807631.db2.gz RMTLHFJGRIQDQT-UHFFFAOYSA-N 0 1 288.210 2.592 20 30 CFEDMN Cn1cnc2cc(C=NN=c3[nH]c4ccccc4[nH]3)ccc21 ZINC000761250705 626818671 /nfs/dbraw/zinc/81/86/71/626818671.db2.gz FLLRUNGLOYQJNS-UHFFFAOYSA-N 0 1 290.330 2.896 20 30 CFEDMN Cc1cc(N=NCc2cnc(C3CC3)s2)ncn1 ZINC000761808978 626859987 /nfs/dbraw/zinc/85/99/87/626859987.db2.gz HMIMKZXIWHVDPX-UHFFFAOYSA-N 0 1 259.338 2.565 20 30 CFEDMN CCCOc1cc(CN=Nc2cnn(C)c2)ccc1OC ZINC000761866837 626867239 /nfs/dbraw/zinc/86/72/39/626867239.db2.gz KHNJONDVIINHLZ-UHFFFAOYSA-N 0 1 288.351 2.664 20 30 CFEDMN Cn1cc(NN=C(C[C@@H]2CCOC2)c2ccccc2)cn1 ZINC000761868319 626867471 /nfs/dbraw/zinc/86/74/71/626867471.db2.gz ZOCXLDTVEPBRRL-ZDUSSCGKSA-N 0 1 284.363 2.663 20 30 CFEDMN CCCOc1cccc(CN=Nc2cnn(C)c2)c1 ZINC000761872078 626867540 /nfs/dbraw/zinc/86/75/40/626867540.db2.gz ZAQOGEMTKSIFMY-UHFFFAOYSA-N 0 1 258.325 2.655 20 30 CFEDMN Cn1cc(N=NCc2ccc(C(F)(F)F)cc2)cn1 ZINC000761868281 626867781 /nfs/dbraw/zinc/86/77/81/626867781.db2.gz ZEKJAUDULRJHJA-UHFFFAOYSA-N 0 1 268.242 2.885 20 30 CFEDMN CCC(CC)[C@@H](C)C(=O)C(C#N)C(=O)NC1CCCC1 ZINC000762039881 626883029 /nfs/dbraw/zinc/88/30/29/626883029.db2.gz SIHDUIKDJCYKNA-BXUZGUMPSA-N 0 1 278.396 2.826 20 30 CFEDMN Cn1c2ccccc2nc1C(C#N)C(=O)[C@H]1CCSC1 ZINC000762063423 626885424 /nfs/dbraw/zinc/88/54/24/626885424.db2.gz DJZSMYMLFNOXNE-WDEREUQCSA-N 0 1 285.372 2.503 20 30 CFEDMN Cc1cccc2nc([C@@H](C#N)C(=O)[C@@H]3CCSC3)[nH]c21 ZINC000762088983 626888914 /nfs/dbraw/zinc/88/89/14/626888914.db2.gz VAXBPPNELSDQOC-MNOVXSKESA-N 0 1 285.372 2.801 20 30 CFEDMN Cc1cccc2nc([C@@H](C#N)C(=O)[C@H]3CCSC3)[nH]c21 ZINC000762088985 626889266 /nfs/dbraw/zinc/88/92/66/626889266.db2.gz VAXBPPNELSDQOC-QWRGUYRKSA-N 0 1 285.372 2.801 20 30 CFEDMN C#Cc1cccc(N(CC)C(=O)CN2CCC(C)CC2)c1 ZINC000762190579 626902242 /nfs/dbraw/zinc/90/22/42/626902242.db2.gz NEKRKGRCHGVQGJ-UHFFFAOYSA-N 0 1 284.403 2.753 20 30 CFEDMN C#CCN(C[C@H](O)COc1ccc2ccccc2c1)C1CC1 ZINC000763956129 627026181 /nfs/dbraw/zinc/02/61/81/627026181.db2.gz KSSZVKMHKXHTAD-SFHVURJKSA-N 0 1 295.382 2.677 20 30 CFEDMN CCC(CC)NN=C(C)c1cc(OC)c(O)c([N+](=O)[O-])c1 ZINC000764692193 627085069 /nfs/dbraw/zinc/08/50/69/627085069.db2.gz NDXCDKYEVJLLBO-UHFFFAOYSA-N 0 1 295.339 2.811 20 30 CFEDMN CC(=NOCC(F)(F)F)c1cc(F)cc(F)c1O ZINC000764846002 627101287 /nfs/dbraw/zinc/10/12/87/627101287.db2.gz DFCCQIXNPICRNF-UHFFFAOYSA-N 0 1 269.169 2.973 20 30 CFEDMN CC(=NNC1=NC[C@H](C)N1)c1ccc(OC(C)(C)C)cc1 ZINC000764908388 627106058 /nfs/dbraw/zinc/10/60/58/627106058.db2.gz STWCWYPCHBVOSF-NSHDSACASA-N 0 1 288.395 2.525 20 30 CFEDMN CC#CCCN1C[C@@H](C)N(C(=O)OC(C)(C)C)C[C@H]1C ZINC000764980771 627110152 /nfs/dbraw/zinc/11/01/52/627110152.db2.gz FWCNUSDYLUKNDS-ZIAGYGMSSA-N 0 1 280.412 2.730 20 30 CFEDMN C=CC[C@@H](N[C@H](C)c1cnn(C)c1)c1ccncc1 ZINC000766017759 627171714 /nfs/dbraw/zinc/17/17/14/627171714.db2.gz CYVXLEDKZQKEOU-IUODEOHRSA-N 0 1 256.353 2.783 20 30 CFEDMN C=CC[C@H](N[C@H](C)c1cnn(C)c1)c1ccncc1 ZINC000766017755 627171913 /nfs/dbraw/zinc/17/19/13/627171913.db2.gz CYVXLEDKZQKEOU-DOMZBBRYSA-N 0 1 256.353 2.783 20 30 CFEDMN N#CCSCCCOC(=O)c1ccc(O)c(Cl)c1 ZINC000805336323 627222969 /nfs/dbraw/zinc/22/29/69/627222969.db2.gz KZFXQYKORFSLJN-UHFFFAOYSA-N 0 1 285.752 2.849 20 30 CFEDMN C[C@@H](c1ccccc1)[C@@H](CO)NCc1ccc(F)cc1C#N ZINC000766970454 627229057 /nfs/dbraw/zinc/22/90/57/627229057.db2.gz GTVOPQVHUATDTH-SCLBCKFNSA-N 0 1 298.361 2.952 20 30 CFEDMN C#C[C@@H](CC)OC(=O)c1[nH]c(-c2cccc(OC)c2)nc1C ZINC000768049525 627307532 /nfs/dbraw/zinc/30/75/32/627307532.db2.gz QQRABKMWRHRUFI-ZDUSSCGKSA-N 0 1 298.342 2.962 20 30 CFEDMN C=CCN(Cc1ccc(C(=O)OCC)o1)C(C)C ZINC000768551630 627353444 /nfs/dbraw/zinc/35/34/44/627353444.db2.gz RFEDAOIJTZEYRX-UHFFFAOYSA-N 0 1 251.326 2.853 20 30 CFEDMN C#CCCN1CCN(Cc2ccsc2Cl)CC1 ZINC000851872521 634567201 /nfs/dbraw/zinc/56/72/01/634567201.db2.gz GMCPZPPLHBJYDI-UHFFFAOYSA-N 0 1 268.813 2.542 20 30 CFEDMN CCCCCCCC(=O)N1C[C@@H](C)N(C)C[C@@H]1C ZINC000768841060 627378072 /nfs/dbraw/zinc/37/80/72/627378072.db2.gz GHTLMKUTDWGUSS-KGLIPLIRSA-N 0 1 254.418 2.898 20 30 CFEDMN C#CCN(Cc1nn(C)c2ccccc12)C1CCCC1 ZINC000769529413 627452229 /nfs/dbraw/zinc/45/22/29/627452229.db2.gz AUMRYXIUKGRQQU-UHFFFAOYSA-N 0 1 267.376 2.951 20 30 CFEDMN CCc1noc(C)c1C(C)N=Nc1ccc(Cl)nn1 ZINC000769797298 627475524 /nfs/dbraw/zinc/47/55/24/627475524.db2.gz GDWZLSPUQYXHME-UHFFFAOYSA-N 0 1 279.731 2.825 20 30 CFEDMN CC(=NNCc1ccc(C#N)cc1)c1ccc(N)cc1 ZINC000769820548 627478485 /nfs/dbraw/zinc/47/84/85/627478485.db2.gz HPSGIKMLQNSLAY-UHFFFAOYSA-N 0 1 264.332 2.654 20 30 CFEDMN C#CCCN1CCN([C@@H](C)c2cccc(F)c2)CC1 ZINC000769929403 627489004 /nfs/dbraw/zinc/48/90/04/627489004.db2.gz VJVLWPJSQXDOCY-AWEZNQCLSA-N 0 1 260.356 2.528 20 30 CFEDMN N#C[C@H]1CC[C@@H](NCc2nc3c(s2)CCCC3)C1 ZINC000769940802 627489367 /nfs/dbraw/zinc/48/93/67/627489367.db2.gz CQACCNOCJSOMFC-WDEREUQCSA-N 0 1 261.394 2.804 20 30 CFEDMN N#C[C@H]1CC[C@@H]([NH2+]Cc2cc(Cl)ccc2[O-])C1 ZINC000769944192 627489553 /nfs/dbraw/zinc/48/95/53/627489553.db2.gz LIFVSJHSXKSTSV-JOYOIKCWSA-N 0 1 250.729 2.827 20 30 CFEDMN CCc1ccc(O)c(C(=O)Nc2cc(C#N)ccc2O)c1 ZINC000770127607 627504112 /nfs/dbraw/zinc/50/41/12/627504112.db2.gz FYUZWSHZHNUDOM-UHFFFAOYSA-N 0 1 282.299 2.784 20 30 CFEDMN CC(C)(C#N)CCOC(=O)c1ccc(-c2nnc[nH]2)cc1 ZINC000770572564 627530389 /nfs/dbraw/zinc/53/03/89/627530389.db2.gz CYUJWGSAGKHNSC-UHFFFAOYSA-N 0 1 284.319 2.568 20 30 CFEDMN CCc1nn(C)cc1CN=Nc1ccc2ccccc2n1 ZINC000770597890 627533143 /nfs/dbraw/zinc/53/31/43/627533143.db2.gz YLGQYPUROPGTIR-UHFFFAOYSA-N 0 1 279.347 2.977 20 30 CFEDMN CCc1nn(C)cc1C=NN=c1ccc2ccccc2[nH]1 ZINC000770597890 627533145 /nfs/dbraw/zinc/53/31/45/627533145.db2.gz YLGQYPUROPGTIR-UHFFFAOYSA-N 0 1 279.347 2.977 20 30 CFEDMN CCc1nn(C)cc1CN=Nc1cc(F)c(F)cc1F ZINC000770604881 627533575 /nfs/dbraw/zinc/53/35/75/627533575.db2.gz HZTBLZININSGPX-UHFFFAOYSA-N 0 1 282.269 2.846 20 30 CFEDMN CC(N=Nc1ccncc1Cl)c1ccc(F)cn1 ZINC000770614189 627534216 /nfs/dbraw/zinc/53/42/16/627534216.db2.gz DSTDHTSGKZQPFD-UHFFFAOYSA-N 0 1 264.691 2.527 20 30 CFEDMN CC(=NNC[C@H](C)C#N)c1[nH]c(-c2ccccc2)nc1C ZINC000771112142 627578667 /nfs/dbraw/zinc/57/86/67/627578667.db2.gz LHMKYTOAIXXJEA-LLVKDONJSA-N 0 1 281.363 2.858 20 30 CFEDMN C[C@H](CC#N)N=NC1C[C@@H](C)N(Cc2ccccc2)C1 ZINC000771885992 627642824 /nfs/dbraw/zinc/64/28/24/627642824.db2.gz MRQCXQSUBLVRFY-ZIAGYGMSSA-N 0 1 270.380 2.529 20 30 CFEDMN CC(=NN[C@@H](C)CC#N)c1ccc(N2CCCC2)cc1O ZINC000771888566 627643440 /nfs/dbraw/zinc/64/34/40/627643440.db2.gz KODQTBDTAGTSMK-LBPRGKRZSA-N 0 1 286.379 2.608 20 30 CFEDMN CC#CCOC(=O)c1[nH]c(-c2cccc(C)c2)nc1C ZINC000772109184 627673109 /nfs/dbraw/zinc/67/31/09/627673109.db2.gz LJKQSPPBYNOSIR-UHFFFAOYSA-N 0 1 268.316 2.874 20 30 CFEDMN C#CCN1CCC(C(=O)OCC2CCC(C)CC2)CC1 ZINC000772113683 627673805 /nfs/dbraw/zinc/67/38/05/627673805.db2.gz QEONCFJQULETKD-UHFFFAOYSA-N 0 1 277.408 2.701 20 30 CFEDMN N#Cc1ccc(CNC[C@@H](O)c2cccc(F)c2)c(F)c1 ZINC000772918569 627758862 /nfs/dbraw/zinc/75/88/62/627758862.db2.gz MQWSANMYGMCOHC-MRXNPFEDSA-N 0 1 288.297 2.660 20 30 CFEDMN N#Cc1ccc(CN[C@@H](CCO)c2cccs2)c(F)c1 ZINC000772921441 627758969 /nfs/dbraw/zinc/75/89/69/627758969.db2.gz PYGJMNKSDVQLES-AWEZNQCLSA-N 0 1 290.363 2.972 20 30 CFEDMN C#CCCCCC(=O)Nc1nc(-c2cccs2)n[nH]1 ZINC000773326852 627806902 /nfs/dbraw/zinc/80/69/02/627806902.db2.gz WUISXHWMPCXDPY-UHFFFAOYSA-N 0 1 274.349 2.665 20 30 CFEDMN C#C[C@@H](NCc1cccc(SC)c1)[C@@H]1CCCO1 ZINC000851949770 634604628 /nfs/dbraw/zinc/60/46/28/634604628.db2.gz IYOJRKIJMUKBIL-CABCVRRESA-N 0 1 261.390 2.679 20 30 CFEDMN CC1(C)CCC[C@H]1C(=O)[C@H](C#N)C(=O)NC1CCCC1 ZINC000773983404 627876270 /nfs/dbraw/zinc/87/62/70/627876270.db2.gz KAWFLTHUOSVRNS-STQMWFEESA-N 0 1 276.380 2.580 20 30 CFEDMN CC1(C)CCC[C@H]1C(=O)[C@@H](C#N)C(=O)NC1CCCCC1 ZINC000773977254 627876312 /nfs/dbraw/zinc/87/63/12/627876312.db2.gz VZPPRDFEYCYRGR-KGLIPLIRSA-N 0 1 290.407 2.970 20 30 CFEDMN C[C@@H](OC(=O)CCCCc1cn[nH]n1)c1cccc(C#N)c1 ZINC000774075394 627885334 /nfs/dbraw/zinc/88/53/34/627885334.db2.gz FDMCNWRUOLCIQV-GFCCVEGCSA-N 0 1 298.346 2.694 20 30 CFEDMN Cc1cccc2nc([C@H](C#N)C(=O)[C@H]3CCOC[C@H]3C)[nH]c21 ZINC000774113389 627889764 /nfs/dbraw/zinc/88/97/64/627889764.db2.gz VUSZZYWQPZKNCB-FRRDWIJNSA-N 0 1 297.358 2.720 20 30 CFEDMN N#C[C@H]1CCC[C@@H](NCC(=O)Nc2ccc(F)c(F)c2)C1 ZINC000774118765 627890418 /nfs/dbraw/zinc/89/04/18/627890418.db2.gz NDIVKUROWAYXEW-WDEREUQCSA-N 0 1 293.317 2.575 20 30 CFEDMN C=C[C@](C)(CC)COC(=O)CCCCc1cn[nH]n1 ZINC000774258295 627909114 /nfs/dbraw/zinc/90/91/14/627909114.db2.gz MUMUFZWUBTUKMV-CQSZACIVSA-N 0 1 265.357 2.663 20 30 CFEDMN C#C[C@H](N[C@H](CC)c1ccc(C#N)cc1)[C@@H]1CCCO1 ZINC000774358601 627918566 /nfs/dbraw/zinc/91/85/66/627918566.db2.gz HVBGBKHMWUTDEI-IKGGRYGDSA-N 0 1 268.360 2.780 20 30 CFEDMN Cc1ccc(N=NCc2ccc3c(c2)CCC(=O)N3C)nc1 ZINC000774385821 627919885 /nfs/dbraw/zinc/91/98/85/627919885.db2.gz QMMBYRBKWFTKDM-UHFFFAOYSA-N 0 1 294.358 2.745 20 30 CFEDMN CCCCc1nc(C=NOC2CCOCC2)c(Cl)[nH]1 ZINC000774471220 627930693 /nfs/dbraw/zinc/93/06/93/627930693.db2.gz OMMYUUIQFDZXNZ-UHFFFAOYSA-N 0 1 285.775 2.935 20 30 CFEDMN C#C[C@@H](NCc1ccc(OC(F)(F)F)cc1)[C@@H]1CCCO1 ZINC000775339975 628011758 /nfs/dbraw/zinc/01/17/58/628011758.db2.gz DZTNKBPRWJCLHW-KGLIPLIRSA-N 0 1 299.292 2.856 20 30 CFEDMN C#C[C@@H](NCc1cccc(OCC(C)C)c1)[C@H]1CCCO1 ZINC000775342661 628012511 /nfs/dbraw/zinc/01/25/11/628012511.db2.gz SDZDGLMCCANSIS-QZTJIDSGSA-N 0 1 287.403 2.992 20 30 CFEDMN C#C[C@H](NC/C=C\c1ccc(F)cc1)[C@@H]1CCCO1 ZINC000775343864 628013073 /nfs/dbraw/zinc/01/30/73/628013073.db2.gz YXGMNOSXCWWLBD-WLYXZUNZSA-N 0 1 259.324 2.609 20 30 CFEDMN C#C[C@@H](NCc1cccc(OC(F)F)c1)[C@H]1CCCO1 ZINC000775343730 628013214 /nfs/dbraw/zinc/01/32/14/628013214.db2.gz XNJUNHJXBOZWKS-ZIAGYGMSSA-N 0 1 281.302 2.558 20 30 CFEDMN C#C[C@H](NC/C=C\c1ccc(F)cc1)[C@H]1CCCO1 ZINC000775343865 628013531 /nfs/dbraw/zinc/01/35/31/628013531.db2.gz YXGMNOSXCWWLBD-ZQUHVBMZSA-N 0 1 259.324 2.609 20 30 CFEDMN C#C[C@H](NCc1cccc2cccnc21)[C@@H]1CCCO1 ZINC000775345091 628013582 /nfs/dbraw/zinc/01/35/82/628013582.db2.gz MKEIJVCTLBATNQ-HOTGVXAUSA-N 0 1 266.344 2.505 20 30 CFEDMN C#C[C@@H](C)NC(=O)c1cc(Cl)c2ccccc2c1O ZINC000775383819 628017940 /nfs/dbraw/zinc/01/79/40/628017940.db2.gz KQCMNPMXWJZNMA-SECBINFHSA-N 0 1 273.719 2.950 20 30 CFEDMN C#C[C@H](N[C@H](C)c1ccc(-n2cccn2)cc1)[C@H]1CCCO1 ZINC000775571157 628038818 /nfs/dbraw/zinc/03/88/18/628038818.db2.gz BDLPYDNLSQEYFT-FHLIZLRMSA-N 0 1 295.386 2.704 20 30 CFEDMN C#C[C@H](N[C@@H](C)c1ccc2c(c1)COC2)[C@@H]1CCCO1 ZINC000775571971 628040380 /nfs/dbraw/zinc/04/03/80/628040380.db2.gz NJUCQGUFWGZQPO-ZLIFDBKOSA-N 0 1 271.360 2.548 20 30 CFEDMN C#C[C@H](N[C@@H]1CCCc2cc(F)ccc21)[C@H]1CCCO1 ZINC000775573636 628041208 /nfs/dbraw/zinc/04/12/08/628041208.db2.gz IKILKJOLJLPSMD-GVDBMIGSSA-N 0 1 273.351 2.974 20 30 CFEDMN C#C[C@H](N[C@H]1CCCc2nc(C)sc21)[C@H]1CCCO1 ZINC000775573476 628041692 /nfs/dbraw/zinc/04/16/92/628041692.db2.gz ZBGVTKOWXNNTND-FPMFFAJLSA-N 0 1 276.405 2.599 20 30 CFEDMN C#C[C@H](N[C@H](C)c1ccc(C#N)c(F)c1)[C@@H]1CCCO1 ZINC000775574792 628042418 /nfs/dbraw/zinc/04/24/18/628042418.db2.gz RXOHZEFVJMJXAV-RLCCDNCMSA-N 0 1 272.323 2.529 20 30 CFEDMN C#C[C@H]([NH2+][C@@H](C)c1cc(Cl)ccc1[O-])[C@H]1CCCO1 ZINC000775574843 628042448 /nfs/dbraw/zinc/04/24/48/628042448.db2.gz SKJDVRGKABGXLI-VZJVUDMVSA-N 0 1 279.767 2.877 20 30 CFEDMN C#CC[N@@H+](CC#CC)Cc1cc(Cl)cc(F)c1[O-] ZINC000775707259 628058006 /nfs/dbraw/zinc/05/80/06/628058006.db2.gz FRBXKTLKRKAPRR-UHFFFAOYSA-N 0 1 265.715 2.643 20 30 CFEDMN C#CC[N@H+](CC#CC)Cc1cc(Cl)cc(F)c1[O-] ZINC000775707259 628058008 /nfs/dbraw/zinc/05/80/08/628058008.db2.gz FRBXKTLKRKAPRR-UHFFFAOYSA-N 0 1 265.715 2.643 20 30 CFEDMN C#CCN(CC#CC)Cc1cc(Cl)cc(F)c1O ZINC000775707259 628058010 /nfs/dbraw/zinc/05/80/10/628058010.db2.gz FRBXKTLKRKAPRR-UHFFFAOYSA-N 0 1 265.715 2.643 20 30 CFEDMN C#C[C@@H](NCCOc1ccc(F)cc1Cl)[C@@H]1CCCO1 ZINC000775790845 628068999 /nfs/dbraw/zinc/06/89/99/628068999.db2.gz JOJGENSLXAWPLG-HIFRSBDPSA-N 0 1 297.757 2.628 20 30 CFEDMN CCc1cc(CN[C@@H](C)c2ccc(OCC#N)cc2)[nH]n1 ZINC000776159626 628108450 /nfs/dbraw/zinc/10/84/50/628108450.db2.gz YIGDRRVQNGKLEL-LBPRGKRZSA-N 0 1 284.363 2.725 20 30 CFEDMN C[C@@H](NCc1cccc(F)n1)c1ccc(OCC#N)cc1 ZINC000776170863 628110590 /nfs/dbraw/zinc/11/05/90/628110590.db2.gz QKSPOBMZDLTFJL-GFCCVEGCSA-N 0 1 285.322 2.974 20 30 CFEDMN CN(C)c1ccncc1C=[NH+][N-]c1ccccc1[N+](=O)[O-] ZINC000776183207 628112708 /nfs/dbraw/zinc/11/27/08/628112708.db2.gz KEAWXPIHLNKFHY-UHFFFAOYSA-N 0 1 285.307 2.502 20 30 CFEDMN C[C@@H](NN=Cc1cnccc1N(C)C)c1ccccc1 ZINC000776179622 628112776 /nfs/dbraw/zinc/11/27/76/628112776.db2.gz BYUVAKRVZFPZJF-CYBMUJFWSA-N 0 1 268.364 2.832 20 30 CFEDMN CC(C)(C#N)CCOC(=O)Cc1[nH]nc2ccccc21 ZINC000776378357 628138990 /nfs/dbraw/zinc/13/89/90/628138990.db2.gz KAJNLNGCSAZQMR-UHFFFAOYSA-N 0 1 271.320 2.588 20 30 CFEDMN C#CCCN1CCN([C@@H](C)c2ccc(F)cc2)CC1 ZINC000776594494 628163469 /nfs/dbraw/zinc/16/34/69/628163469.db2.gz JRVKULVYPHCGFK-AWEZNQCLSA-N 0 1 260.356 2.528 20 30 CFEDMN CO[C@@H](CN[C@H](C)c1cccc(C#N)c1)C(F)(F)F ZINC000777013952 628190830 /nfs/dbraw/zinc/19/08/30/628190830.db2.gz YCUHDPHZGFKEKQ-SKDRFNHKSA-N 0 1 272.270 2.786 20 30 CFEDMN N#CCc1ccccc1CC(=O)Nc1cc(C#N)ccc1O ZINC000777428311 628224719 /nfs/dbraw/zinc/22/47/19/628224719.db2.gz SQSUKARYZNCBKG-UHFFFAOYSA-N 0 1 291.310 2.511 20 30 CFEDMN COC(=O)c1ccccc1CN=Nc1cc(Cl)ccn1 ZINC000777906999 628264473 /nfs/dbraw/zinc/26/44/73/628264473.db2.gz LFHPCVHAGRNXNG-UHFFFAOYSA-N 0 1 289.722 2.968 20 30 CFEDMN COc1ccc2nc(NN=Cc3nccn3C)c(C)cc2c1 ZINC000777912694 628264558 /nfs/dbraw/zinc/26/45/58/628264558.db2.gz BVQXPHJNXNYTTN-UHFFFAOYSA-N 0 1 295.346 2.731 20 30 CFEDMN Clc1ccnc(N=NCc2cnn(-c3ccccc3)n2)c1 ZINC000777906452 628264598 /nfs/dbraw/zinc/26/45/98/628264598.db2.gz WXSAOWNLTZWVAT-UHFFFAOYSA-N 0 1 298.737 2.762 20 30 CFEDMN C#CCOc1cccc(Cl)c1CNC[C@H](O)[C@H](C)CC ZINC000778170410 628282898 /nfs/dbraw/zinc/28/28/98/628282898.db2.gz PTGGNHPZIOQSDM-DOMZBBRYSA-N 0 1 295.810 2.849 20 30 CFEDMN CCCCCCCCN1CC[C@H](OC)C[C@@H]1C(=O)OC ZINC000778232193 628290640 /nfs/dbraw/zinc/29/06/40/628290640.db2.gz GJHLGADZTCWIJR-LSDHHAIUSA-N 0 1 285.428 2.999 20 30 CFEDMN CC[C@@]1(O)CCN(Cc2cc(Cl)ccc2OCC#N)C1 ZINC000778389574 628303596 /nfs/dbraw/zinc/30/35/96/628303596.db2.gz ZQFDNNKMOWAILU-OAHLLOKOSA-N 0 1 294.782 2.589 20 30 CFEDMN C#C[C@@](C)(CC)NCCS(=O)(=O)c1ccc(Cl)cc1 ZINC000852097524 634650972 /nfs/dbraw/zinc/65/09/72/634650972.db2.gz QHYQYFCTFCQPMM-AWEZNQCLSA-N 0 1 299.823 2.505 20 30 CFEDMN Cc1cnc(C(=O)Nc2ccccc2O[C@@H](C)C#N)c(O)c1 ZINC000779065468 628349592 /nfs/dbraw/zinc/34/95/92/628349592.db2.gz RJIHYCUUAUAQQE-NSHDSACASA-N 0 1 297.314 2.639 20 30 CFEDMN C#CCOc1cccc(Cl)c1CN1C[C@H](O)[C@@H](CC)C1 ZINC000779168236 628357743 /nfs/dbraw/zinc/35/77/43/628357743.db2.gz MRRJTPBLSPDCAO-WFASDCNBSA-N 0 1 293.794 2.555 20 30 CFEDMN C#C[C@](C)(CC)NCC(=O)N(c1ccccc1)C(C)C ZINC000852096840 634650758 /nfs/dbraw/zinc/65/07/58/634650758.db2.gz GHBHQMPJIPHUHW-QGZVFWFLSA-N 0 1 272.392 2.820 20 30 CFEDMN CCCCCCCCNC(=O)N[C@H](C)c1nnc[nH]1 ZINC000779373071 628377182 /nfs/dbraw/zinc/37/71/82/628377182.db2.gz XDMCCBGBXOZBKB-LLVKDONJSA-N 0 1 267.377 2.525 20 30 CFEDMN C#C[C@@](C)(CC)N[C@@H](C)C(=O)Nc1ccccc1C(C)=O ZINC000852102575 634657012 /nfs/dbraw/zinc/65/70/12/634657012.db2.gz ZPMMLBOLGSOCLV-SJCJKPOMSA-N 0 1 286.375 2.608 20 30 CFEDMN C#C[C@](C)(CC)N[C@H](C)C(=O)Nc1cccc(C)c1 ZINC000852098788 634653075 /nfs/dbraw/zinc/65/30/75/634653075.db2.gz VYNCBLGWOXKTJM-CZUORRHYSA-N 0 1 258.365 2.714 20 30 CFEDMN CCOc1cc(C=NNc2cccc(OC)n2)ccc1O ZINC000779817304 628410761 /nfs/dbraw/zinc/41/07/61/628410761.db2.gz JJFKGCBRVNDPRV-UHFFFAOYSA-N 0 1 287.319 2.641 20 30 CFEDMN COc1cccc(N=NCc2cc(C)ccc2F)n1 ZINC000779819006 628410773 /nfs/dbraw/zinc/41/07/73/628410773.db2.gz FRLUUZOOBUSDNY-UHFFFAOYSA-N 0 1 259.284 2.984 20 30 CFEDMN COc1cccc(NN=Cc2cccc3c2OCCCO3)n1 ZINC000779819278 628410782 /nfs/dbraw/zinc/41/07/82/628410782.db2.gz MCOJHYQBZPNNJJ-UHFFFAOYSA-N 0 1 299.330 2.698 20 30 CFEDMN CCc1ncc(CN=Nc2cccc(OC)n2)s1 ZINC000779821375 628411289 /nfs/dbraw/zinc/41/12/89/628411289.db2.gz ZGEXCMAAAGASLN-UHFFFAOYSA-N 0 1 262.338 2.555 20 30 CFEDMN C#C[C@@](C)(CC)N[C@@H](C)C(=O)Nc1ccc(C)c(F)c1 ZINC000852100065 634654314 /nfs/dbraw/zinc/65/43/14/634654314.db2.gz SUFMDUUJMYFCDR-LRDDRELGSA-N 0 1 276.355 2.853 20 30 CFEDMN C#CCCCCCC(=O)Nc1cc(CN(C)C)ccn1 ZINC000779974480 628423306 /nfs/dbraw/zinc/42/33/06/628423306.db2.gz ZJQXLFHGTJWFGM-UHFFFAOYSA-N 0 1 273.380 2.665 20 30 CFEDMN C#C[C@](C)(CC)N[C@@H](C)C(=O)Nc1cc(F)ccc1C ZINC000852099595 634654793 /nfs/dbraw/zinc/65/47/93/634654793.db2.gz NGQVIICYQBGSOI-BLLLJJGKSA-N 0 1 276.355 2.853 20 30 CFEDMN C#C[C@@](C)(CC)N[C@H](C)C(=O)c1c[nH]c2ncccc12 ZINC000852101118 634655254 /nfs/dbraw/zinc/65/52/54/634655254.db2.gz MLUCMDHYPNSVJX-BZNIZROVSA-N 0 1 269.348 2.526 20 30 CFEDMN COc1ccc(NN=C(C)c2ccc(NC(C)=O)cc2)nc1 ZINC000780269708 628448678 /nfs/dbraw/zinc/44/86/78/628448678.db2.gz VUMFJAJPSATDAO-UHFFFAOYSA-N 0 1 298.346 2.885 20 30 CFEDMN C[C@H](NCc1ccc(C#N)cn1)c1ccc(F)cc1 ZINC000780329599 628455185 /nfs/dbraw/zinc/45/51/85/628455185.db2.gz LIRQWJDBCMHZKY-NSHDSACASA-N 0 1 255.296 2.943 20 30 CFEDMN C[C@H](NCc1ccc(C#N)cn1)c1cccc(F)c1 ZINC000780328892 628455193 /nfs/dbraw/zinc/45/51/93/628455193.db2.gz GCJMGXDKDMQUME-NSHDSACASA-N 0 1 255.296 2.943 20 30 CFEDMN N#Cc1ccc(CN[C@H]2CCc3ccc(F)cc32)nc1 ZINC000780329608 628455437 /nfs/dbraw/zinc/45/54/37/628455437.db2.gz LLRZARHYDMMWSO-INIZCTEOSA-N 0 1 267.307 2.869 20 30 CFEDMN C#C[C@](C)(CC)N[C@@H](C)C(=O)Nc1ccccc1C(C)=O ZINC000852102579 634656621 /nfs/dbraw/zinc/65/66/21/634656621.db2.gz ZPMMLBOLGSOCLV-YVEFUNNKSA-N 0 1 286.375 2.608 20 30 CFEDMN C#C[C@](C)(CC)N[C@H]1CCCN(c2cccc(F)c2)C1=O ZINC000852102962 634657924 /nfs/dbraw/zinc/65/79/24/634657924.db2.gz USYSTGPRHOLNJV-DOTOQJQBSA-N 0 1 288.366 2.713 20 30 CFEDMN COc1ccccc1/C=C\CNCc1ccc(C#N)cn1 ZINC000780558737 628476803 /nfs/dbraw/zinc/47/68/03/628476803.db2.gz SPYBVKJKZAAGPV-XQRVVYSFSA-N 0 1 279.343 2.765 20 30 CFEDMN C#CCCCN(Cc1ccccc1)C[C@@H](O)C(F)(F)F ZINC000781345706 628541378 /nfs/dbraw/zinc/54/13/78/628541378.db2.gz VXJJMLGHIKXGAA-CQSZACIVSA-N 0 1 285.309 2.825 20 30 CFEDMN C#CCCCN(Cc1ccccc1)C[C@H](O)C(F)(F)F ZINC000781345705 628541492 /nfs/dbraw/zinc/54/14/92/628541492.db2.gz VXJJMLGHIKXGAA-AWEZNQCLSA-N 0 1 285.309 2.825 20 30 CFEDMN N#CCC1CCN(Cn2nccc2-c2cccnc2)CC1 ZINC000781571215 628560922 /nfs/dbraw/zinc/56/09/22/628560922.db2.gz HTDODUSUPGDTJX-UHFFFAOYSA-N 0 1 281.363 2.528 20 30 CFEDMN C#CCCCN1CCN(C(=O)Nc2ccc(C)cc2)CC1 ZINC000782053631 628600154 /nfs/dbraw/zinc/60/01/54/628600154.db2.gz SQXWAQBEUIEMJM-UHFFFAOYSA-N 0 1 285.391 2.558 20 30 CFEDMN C[C@@H](C1CC1)N1CCO[C@@H](c2cccc(C#N)c2)C1 ZINC000782189929 628612391 /nfs/dbraw/zinc/61/23/91/628612391.db2.gz KGAQMSXCKNAACP-BLLLJJGKSA-N 0 1 256.349 2.730 20 30 CFEDMN COc1cc(C(C)=NN=c2[nH]c3ccccc3n2C)ccn1 ZINC000782202889 628614187 /nfs/dbraw/zinc/61/41/87/628614187.db2.gz LMGAXELSKMMQJI-UHFFFAOYSA-N 0 1 295.346 2.813 20 30 CFEDMN CN(C)c1ccncc1C=NN[C@H]1CCCC1(C)C ZINC000782287137 628624184 /nfs/dbraw/zinc/62/41/84/628624184.db2.gz KFXXFHFEOLMBKD-AWEZNQCLSA-N 0 1 260.385 2.650 20 30 CFEDMN C#CCOCCN1CCC[C@@H]1c1ccc(F)cc1F ZINC000852147278 634670898 /nfs/dbraw/zinc/67/08/98/634670898.db2.gz AABCMUORBMVVHO-OAHLLOKOSA-N 0 1 265.303 2.752 20 30 CFEDMN Cc1cc(N=NCc2ccc([N+](=O)[O-])cc2Cl)ncn1 ZINC000783843295 628748989 /nfs/dbraw/zinc/74/89/89/628748989.db2.gz XYXQDODVLRYLGB-UHFFFAOYSA-N 0 1 291.698 2.793 20 30 CFEDMN Cc1nn(-c2ccncc2)cc1C=NNc1ccnc(F)c1 ZINC000783867956 628751920 /nfs/dbraw/zinc/75/19/20/628751920.db2.gz XKMNVLMRDZKKEI-UHFFFAOYSA-N 0 1 296.309 2.556 20 30 CFEDMN N#Cc1ccc(CNCc2ccc3[nH]c(=O)[nH]c3c2)c(F)c1 ZINC000784619133 628832043 /nfs/dbraw/zinc/83/20/43/628832043.db2.gz SIHMAHFCVPZFFG-UHFFFAOYSA-N 0 1 296.305 2.569 20 30 CFEDMN N#Cc1ccc(CNCc2ccc3cnccc3c2)nc1 ZINC000785516801 628891422 /nfs/dbraw/zinc/89/14/22/628891422.db2.gz CEOIHQKWMAWKLB-UHFFFAOYSA-N 0 1 274.327 2.791 20 30 CFEDMN C=C(Cl)CN1CC[C@H](C)[C@H](NC(=O)C(F)(F)F)[C@@H]1C ZINC000805788480 628916796 /nfs/dbraw/zinc/91/67/96/628916796.db2.gz HUYMCCLOIUTEDD-HGNGGELXSA-N 0 1 298.736 2.516 20 30 CFEDMN C(=NNC1CCCCC1)c1ccc(N2CCCC2)nc1 ZINC000786043747 628932707 /nfs/dbraw/zinc/93/27/07/628932707.db2.gz VVZSOCMLZZYGQU-UHFFFAOYSA-N 0 1 272.396 2.938 20 30 CFEDMN C=CCCN(C)CN1CC[C@@](C)(Cc2ccccc2)C1=O ZINC000786101721 628936892 /nfs/dbraw/zinc/93/68/92/628936892.db2.gz ODZFIUZPBFJKDW-SFHVURJKSA-N 0 1 286.419 2.933 20 30 CFEDMN C=CCCN(C)CN1C[C@](C)(c2ccccc2)CC1=O ZINC000786101464 628937002 /nfs/dbraw/zinc/93/70/02/628937002.db2.gz KXOQBIKBFUETHS-QGZVFWFLSA-N 0 1 272.392 2.642 20 30 CFEDMN C=CCCN(C)Cn1nc(C)c2ccc([N+](=O)[O-])cc21 ZINC000786101454 628937196 /nfs/dbraw/zinc/93/71/96/628937196.db2.gz GDLBZAJMCFIXBJ-UHFFFAOYSA-N 0 1 274.324 2.718 20 30 CFEDMN C=CCCN(C)Cn1cc(-c2ccc([N+](=O)[O-])cc2)cn1 ZINC000786102235 628937298 /nfs/dbraw/zinc/93/72/98/628937298.db2.gz UHFOZKNFYOVANN-UHFFFAOYSA-N 0 1 286.335 2.924 20 30 CFEDMN Cc1cccc2nc([C@@H](C#N)C(=O)[C@@H]3C[C@H]3C)[nH]c21 ZINC000786461924 628958493 /nfs/dbraw/zinc/95/84/93/628958493.db2.gz QRYCKBYCQOBHHT-MXWKQRLJSA-N 0 1 253.305 2.704 20 30 CFEDMN CC(C)(C#N)CC(=O)OC[C@H]1CCCN1Cc1ccco1 ZINC000786471427 628959451 /nfs/dbraw/zinc/95/94/51/628959451.db2.gz XNAQNSIXOOWAQL-CYBMUJFWSA-N 0 1 290.363 2.727 20 30 CFEDMN C=C[C@](C)(CC)COC(=O)c1ccc([N+](=O)[O-])[nH]1 ZINC000786528382 628966425 /nfs/dbraw/zinc/96/64/25/628966425.db2.gz NXFDANSXONGRMX-GFCCVEGCSA-N 0 1 252.270 2.682 20 30 CFEDMN C#C[C@H](N[C@H](C)[C@H](OC)c1ccccc1)[C@@H]1CCCO1 ZINC000786915987 628984309 /nfs/dbraw/zinc/98/43/09/628984309.db2.gz GJCPLSDZDSOHEU-IWCQGFGOSA-N 0 1 273.376 2.533 20 30 CFEDMN O=C(/C=C/c1cc(O)ccc1[N+](=O)[O-])c1cncs1 ZINC000787170788 628997530 /nfs/dbraw/zinc/99/75/30/628997530.db2.gz CFOSMWCIYBURES-DAFODLJHSA-N 0 1 276.273 2.653 20 30 CFEDMN CC1(C)CC(=NNc2cnccn2)c2cc([N+](=O)[O-])ccc21 ZINC000788424966 629065508 /nfs/dbraw/zinc/06/55/08/629065508.db2.gz NLCLXURMOHCMHI-UHFFFAOYSA-N 0 1 297.318 2.882 20 30 CFEDMN COc1cccc(NN=Cc2ccc(-c3cc[nH]n3)o2)n1 ZINC000788439760 629067232 /nfs/dbraw/zinc/06/72/32/629067232.db2.gz XCBJTEALBHBRMX-UHFFFAOYSA-N 0 1 283.291 2.519 20 30 CFEDMN CN(Cc1ccc(F)cc1C#N)[C@H](CO)Cc1ccccc1 ZINC000852289330 634709932 /nfs/dbraw/zinc/70/99/32/634709932.db2.gz OKHKINBSTUGSGY-SFHVURJKSA-N 0 1 298.361 2.733 20 30 CFEDMN CC(C)[C@@H](C(=O)O[C@H](C)c1ccc(C#N)cc1)N(C)C ZINC000789803883 629189204 /nfs/dbraw/zinc/18/92/04/629189204.db2.gz YWKDGVURGSQOEN-DOMZBBRYSA-N 0 1 274.364 2.749 20 30 CFEDMN CCN(C)c1ccc(C=[NH+]Nc2cccc(C(=O)[O-])c2)cn1 ZINC000790141487 629212900 /nfs/dbraw/zinc/21/29/00/629212900.db2.gz JKGGBHTXVLVYPE-UHFFFAOYSA-N 0 1 298.346 2.682 20 30 CFEDMN COc1cccc(CN=Nc2cc(F)c(F)cc2F)n1 ZINC000790164247 629215207 /nfs/dbraw/zinc/21/52/07/629215207.db2.gz NJPKBGRBLAIKSP-UHFFFAOYSA-N 0 1 281.237 2.954 20 30 CFEDMN Cc1cccnc1N=NCc1cccc(Br)n1 ZINC000790184983 629216745 /nfs/dbraw/zinc/21/67/45/629216745.db2.gz DYWACINXTFVYKG-UHFFFAOYSA-N 0 1 291.152 2.994 20 30 CFEDMN CCN1c2ccccc2C(=NNc2ncccc2C)C1=O ZINC000790185081 629217005 /nfs/dbraw/zinc/21/70/05/629217005.db2.gz FVTKINWBVKJOAY-UHFFFAOYSA-N 0 1 280.331 2.573 20 30 CFEDMN CC[C@H](C)NN=C1CCN(CCC(F)(F)F)CC1 ZINC000790182818 629217021 /nfs/dbraw/zinc/21/70/21/629217021.db2.gz LKILKZVKWIRCRR-JTQLQIEISA-N 0 1 265.323 2.779 20 30 CFEDMN COc1ccc(CN=Nc2ncccc2C)c(OC)c1 ZINC000790189499 629218277 /nfs/dbraw/zinc/21/82/77/629218277.db2.gz AHLBPHGZFPZSRG-UHFFFAOYSA-N 0 1 271.320 2.853 20 30 CFEDMN Cc1ccc(C)c2c1NC(=O)C2=NNc1ncccc1C ZINC000790194336 629218629 /nfs/dbraw/zinc/21/86/29/629218629.db2.gz YYNJRRQUYZVREC-UHFFFAOYSA-N 0 1 280.331 2.775 20 30 CFEDMN Cc1cc(NN=Cc2ccnn2-c2ccccc2)nc(C)n1 ZINC000790287132 629225657 /nfs/dbraw/zinc/22/56/57/629225657.db2.gz NADZXHQXMGXIKL-UHFFFAOYSA-N 0 1 292.346 2.725 20 30 CFEDMN CCOc1cccc(C(C)=NNc2nccn2C)c1 ZINC000790299570 629227103 /nfs/dbraw/zinc/22/71/03/629227103.db2.gz FFZLIIGYCVJHNX-UHFFFAOYSA-N 0 1 258.325 2.655 20 30 CFEDMN Cn1ccnc1N=NCc1ccc(OCC(F)(F)F)cc1 ZINC000790300364 629227626 /nfs/dbraw/zinc/22/76/26/629227626.db2.gz VGLFHPBUGCYIAR-UHFFFAOYSA-N 0 1 298.268 2.807 20 30 CFEDMN CC(=NNc1nccn1C)c1cnn(-c2ccccc2)c1C ZINC000790302328 629228186 /nfs/dbraw/zinc/22/81/86/629228186.db2.gz POFZQOUQBOINAI-UHFFFAOYSA-N 0 1 294.362 2.750 20 30 CFEDMN C[C@@H]1CC(N=Nc2cccc(F)c2[N+](=O)[O-])CN1C1CC1 ZINC000790310789 629230639 /nfs/dbraw/zinc/23/06/39/629230639.db2.gz PSDQVBNMFQLVNV-SECBINFHSA-N 0 1 292.314 2.758 20 30 CFEDMN C[Si](C)(C)CN1CCC[C@](C#N)(c2ccccn2)C1 ZINC000852328336 634722772 /nfs/dbraw/zinc/72/27/72/634722772.db2.gz CDHRITZCIIGPLO-OAHLLOKOSA-N 0 1 273.456 2.816 20 30 CFEDMN Cn1c2ccccc2nc1C(C#N)C(=O)CSC1CC1 ZINC000835038143 629332552 /nfs/dbraw/zinc/33/25/52/629332552.db2.gz UVZMMUVTMANPOF-LLVKDONJSA-N 0 1 285.372 2.645 20 30 CFEDMN C#C[C@@H](CCC)NC(=O)[C@H]1CCCCN1Cc1ccccc1 ZINC000791741192 629351041 /nfs/dbraw/zinc/35/10/41/629351041.db2.gz KPNDQWKJRIXRNM-ZWKOTPCHSA-N 0 1 298.430 2.959 20 30 CFEDMN C#C[C@H](CCC)NC(=O)[C@@H](c1ccccc1)N(C)CC ZINC000791743876 629351638 /nfs/dbraw/zinc/35/16/38/629351638.db2.gz UMMJRGDZAIWXSL-HZPDHXFCSA-N 0 1 272.392 2.598 20 30 CFEDMN C#C[C@@H](CCC)NC(=O)[C@@H](c1ccccc1)N(C)CC ZINC000791743877 629351801 /nfs/dbraw/zinc/35/18/01/629351801.db2.gz UMMJRGDZAIWXSL-JKSUJKDBSA-N 0 1 272.392 2.598 20 30 CFEDMN CCCCCNC(=O)C(C#N)C(=O)CCCC(C)C ZINC000835056581 629361069 /nfs/dbraw/zinc/36/10/69/629361069.db2.gz LNHYFGGNEGGWQW-CYBMUJFWSA-N 0 1 266.385 2.828 20 30 CFEDMN CCC[C@@H]1CCC[C@H]1C(=O)C(C#N)C(=O)N1CCCC1 ZINC000835059067 629362336 /nfs/dbraw/zinc/36/23/36/629362336.db2.gz WKDQAOICURYSTJ-MCIONIFRSA-N 0 1 276.380 2.534 20 30 CFEDMN N#CC(C(=O)[C@@H]1CCN(c2ccccc2)C1)c1ccccn1 ZINC000835061630 629363509 /nfs/dbraw/zinc/36/35/09/629363509.db2.gz UBLGGBIWHCZQBY-GDBMZVCRSA-N 0 1 291.354 2.784 20 30 CFEDMN N#CC(C(=O)[C@H]1CC12CCSCC2)c1ccccn1 ZINC000835061992 629364400 /nfs/dbraw/zinc/36/44/00/629364400.db2.gz WMNUYLSRUIPCHC-VXGBXAGGSA-N 0 1 272.373 2.791 20 30 CFEDMN N#CC(C(=O)Nc1ccccc1Cl)C(=O)[C@H]1CC1(F)F ZINC000835063138 629367236 /nfs/dbraw/zinc/36/72/36/629367236.db2.gz VEJYJHMSBUBQGG-HTQZYQBOSA-N 0 1 298.676 2.643 20 30 CFEDMN N#CC(=C(O)C=CC1CC1)c1cnc2ccccc2n1 ZINC000792110042 629397978 /nfs/dbraw/zinc/39/79/78/629397978.db2.gz XERAYJLPBHXXSX-QDZRJHCZSA-N 0 1 263.300 2.772 20 30 CFEDMN C=CCN(Cc1cccc(Br)n1)[C@H](C)COC ZINC000852357286 634732818 /nfs/dbraw/zinc/73/28/18/634732818.db2.gz ZZIGGALTRSVNIO-LLVKDONJSA-N 0 1 299.212 2.867 20 30 CFEDMN N#Cc1ccc(COC(=O)c2ccc3cncn3c2)c(F)c1 ZINC000792547229 629432825 /nfs/dbraw/zinc/43/28/25/629432825.db2.gz WSAOBHMDYNYPIO-UHFFFAOYSA-N 0 1 295.273 2.702 20 30 CFEDMN CC[C@@H](C#N)Oc1cc(CNCC2(F)CC2)ccc1OC ZINC000792975942 629472318 /nfs/dbraw/zinc/47/23/18/629472318.db2.gz MWSKFTBEYKXIRN-ZDUSSCGKSA-N 0 1 292.354 2.968 20 30 CFEDMN CC1(CNN=Cc2cc(C(F)(F)F)n[nH]2)CCCC1 ZINC000793082030 629485185 /nfs/dbraw/zinc/48/51/85/629485185.db2.gz SXGNMKMKXJQXQX-UHFFFAOYSA-N 0 1 274.290 2.932 20 30 CFEDMN C[C@@H](NN=Cc1cc(C(F)(F)F)n[nH]1)C(C)(C)C ZINC000793112031 629487164 /nfs/dbraw/zinc/48/71/64/629487164.db2.gz NMUGYLGFTAUGCY-SSDOTTSWSA-N 0 1 262.279 2.787 20 30 CFEDMN Cc1cccc2nc([C@H](C#N)C(=O)C=C[C@H]3CCOC3)[nH]c21 ZINC000835173215 629489231 /nfs/dbraw/zinc/48/92/31/629489231.db2.gz PAUOHDCGIPQDJR-JQSFKPKSSA-N 0 1 295.342 2.640 20 30 CFEDMN C[C@@H](NN=Cc1cc(-c2cccnc2)[nH]n1)C(C)(C)C ZINC000793116803 629489376 /nfs/dbraw/zinc/48/93/76/629489376.db2.gz UUGBPVWUEZDSIU-LLVKDONJSA-N 0 1 271.368 2.830 20 30 CFEDMN Cc1cccc2[nH]c([C@@H](C#N)C(=O)[C@H]3CC3(F)F)nc21 ZINC000835175000 629489730 /nfs/dbraw/zinc/48/97/30/629489730.db2.gz XYPUJFYEIFCZSN-DTWKUNHWSA-N 0 1 275.258 2.703 20 30 CFEDMN C=CC[C@H]1CCC[N@H+](CC(=O)Nc2ccc(Cl)nc2)C1 ZINC000852408764 634740386 /nfs/dbraw/zinc/74/03/86/634740386.db2.gz AFOHSXYYZBEIMW-LBPRGKRZSA-N 0 1 293.798 2.962 20 30 CFEDMN C=CC[C@H]1CCCN(CC(=O)Nc2ccc(Cl)nc2)C1 ZINC000852408764 634740390 /nfs/dbraw/zinc/74/03/90/634740390.db2.gz AFOHSXYYZBEIMW-LBPRGKRZSA-N 0 1 293.798 2.962 20 30 CFEDMN C=CC[C@H]1CCC[N@H+](CC(=O)Nc2ccc(O)cc2)C1 ZINC000852410213 634740472 /nfs/dbraw/zinc/74/04/72/634740472.db2.gz JVCWKKDJQRXVKW-ZDUSSCGKSA-N 0 1 274.364 2.619 20 30 CFEDMN C=CC[C@H]1CCCN(CC(=O)Nc2ccc(O)cc2)C1 ZINC000852410213 634740475 /nfs/dbraw/zinc/74/04/75/634740475.db2.gz JVCWKKDJQRXVKW-ZDUSSCGKSA-N 0 1 274.364 2.619 20 30 CFEDMN Clc1cccc(NN=Cc2cn(-c3ccccc3)nn2)n1 ZINC000793161632 629494913 /nfs/dbraw/zinc/49/49/13/629494913.db2.gz KJQSWNZJUJIXLA-UHFFFAOYSA-N 0 1 298.737 2.762 20 30 CFEDMN C#C[C@H](Cc1ccccc1)OC(=O)c1ccc2cncn2c1 ZINC000793173163 629498727 /nfs/dbraw/zinc/49/87/27/629498727.db2.gz LNJRAKZAZCVHGK-QGZVFWFLSA-N 0 1 290.322 2.736 20 30 CFEDMN Fc1ccc(CN=Nc2cccc(Cl)n2)cn1 ZINC000793175181 629499431 /nfs/dbraw/zinc/49/94/31/629499431.db2.gz QLVRAPBADDEQCR-UHFFFAOYSA-N 0 1 250.664 2.715 20 30 CFEDMN C[C@H](OC(=O)c1ccc(-c2nnc[nH]2)cc1)C(C)(C)C#N ZINC000793177794 629500214 /nfs/dbraw/zinc/50/02/14/629500214.db2.gz KJJJEJNOUFEBBR-JTQLQIEISA-N 0 1 284.319 2.567 20 30 CFEDMN C[C@H]1C(N=Nc2ncncc2F)CCN1Cc1ccccc1 ZINC000793218132 629507362 /nfs/dbraw/zinc/50/73/62/629507362.db2.gz OWRJFZBRYMRLAE-LBPRGKRZSA-N 0 1 299.353 2.678 20 30 CFEDMN CC(C)(C)C#CCOC(=O)c1ccc2cncn2c1 ZINC000793325207 629527169 /nfs/dbraw/zinc/52/71/69/629527169.db2.gz MQVJCKKYWRTYNW-UHFFFAOYSA-N 0 1 256.305 2.541 20 30 CFEDMN Oc1c(Cl)cc(Cl)cc1/C=N\C1COCCOC1 ZINC000793655027 629582840 /nfs/dbraw/zinc/58/28/40/629582840.db2.gz NYDZSGOYAGRKGH-WCSRMQSCSA-N 0 1 290.146 2.533 20 30 CFEDMN CO[C@@H]1CCC[C@@H](CC(=O)Nc2cc(C#N)ccc2O)C1 ZINC000793734471 629589530 /nfs/dbraw/zinc/58/95/30/629589530.db2.gz BQAQQYUGNVJSEJ-DGCLKSJQSA-N 0 1 288.347 2.798 20 30 CFEDMN CCc1onc(-c2ccccc2)c1C(=O)NC1=NO[C@@H](C)C1 ZINC000793740161 629590542 /nfs/dbraw/zinc/59/05/42/629590542.db2.gz UDHDTHRBSKAAQO-JTQLQIEISA-N 0 1 299.330 2.756 20 30 CFEDMN CCc1cccc(F)c1C=NNc1ncnc2nc[nH]c21 ZINC000794493560 629650965 /nfs/dbraw/zinc/65/09/65/629650965.db2.gz BNESYIWJKWVCQT-UHFFFAOYSA-N 0 1 284.298 2.500 20 30 CFEDMN CSCCON=Cc1ccc(N(C)C)c(F)c1 ZINC000794576934 629664117 /nfs/dbraw/zinc/66/41/17/629664117.db2.gz KVVWATPICVFHAQ-UHFFFAOYSA-N 0 1 256.346 2.605 20 30 CFEDMN Cc1nn(-c2ccccc2)c(C)c1CN=Nc1cncnc1 ZINC000794976667 629714224 /nfs/dbraw/zinc/71/42/24/629714224.db2.gz PQHSJFNECFTOQH-UHFFFAOYSA-N 0 1 292.346 2.725 20 30 CFEDMN COc1ccc2c(c1)C(C)(C)CC2=NNc1cncnc1 ZINC000794979045 629715158 /nfs/dbraw/zinc/71/51/58/629715158.db2.gz AVJUGHPVWRTYGP-UHFFFAOYSA-N 0 1 282.347 2.983 20 30 CFEDMN CCC(N=Nc1cncnc1)c1cccc([N+](=O)[O-])c1 ZINC000794979204 629715212 /nfs/dbraw/zinc/71/52/12/629715212.db2.gz RSTYLEMPZNDKIA-UHFFFAOYSA-N 0 1 271.280 2.611 20 30 CFEDMN Fc1cccnc1[N-][NH+]=Cc1ccc(N2CCCC2)nc1 ZINC000794984838 629717809 /nfs/dbraw/zinc/71/78/09/629717809.db2.gz ODEOWHHGOADCMA-UHFFFAOYSA-N 0 1 285.326 2.662 20 30 CFEDMN CCOc1cccc(C=NNc2cccc(F)n2)c1O ZINC000795006043 629721874 /nfs/dbraw/zinc/72/18/74/629721874.db2.gz BTZHNKGDQMCOCK-UHFFFAOYSA-N 0 1 275.283 2.771 20 30 CFEDMN Fc1ccc2c(c1)C(N=Nc1cccc(F)n1)CCO2 ZINC000795006041 629722189 /nfs/dbraw/zinc/72/21/89/629722189.db2.gz BSZCSYMJLRSEEX-UHFFFAOYSA-N 0 1 275.258 2.959 20 30 CFEDMN C#C[C@H](NCc1ccc2occc2c1)[C@H]1CCCO1 ZINC000796350419 629907831 /nfs/dbraw/zinc/90/78/31/629907831.db2.gz BYTUMXDOWMUQPM-GOEBONIOSA-N 0 1 255.317 2.703 20 30 CFEDMN C#C[C@H](NC/C=C\c1ccc(F)c(F)c1)[C@H]1CCCO1 ZINC000796354239 629907876 /nfs/dbraw/zinc/90/78/76/629907876.db2.gz XOTVOOIYCOSOTM-ZQUHVBMZSA-N 0 1 277.314 2.748 20 30 CFEDMN N#CC(C(=O)[C@H]1Cc2ccc(F)cc21)c1ccccn1 ZINC000796634362 629943609 /nfs/dbraw/zinc/94/36/09/629943609.db2.gz VPILEQKHUYXMQJ-KBPBESRZSA-N 0 1 266.275 2.737 20 30 CFEDMN CC1(C)CC(C(=O)C(C#N)C(=O)Nc2ccccc2)C1 ZINC000796791673 629968644 /nfs/dbraw/zinc/96/86/44/629968644.db2.gz ZTZFUKJBJONWSJ-ZDUSSCGKSA-N 0 1 270.332 2.770 20 30 CFEDMN C[C@H](O)[C@H]1CCCN1Cc1cc(Cl)ccc1OCC#N ZINC000852559939 634779753 /nfs/dbraw/zinc/77/97/53/634779753.db2.gz NIIQIOWXFVAMGF-SMDDNHRTSA-N 0 1 294.782 2.588 20 30 CFEDMN CC(C)O[C@H](C(=O)C(C#N)c1ccncn1)c1ccccc1 ZINC000797076462 630013842 /nfs/dbraw/zinc/01/38/42/630013842.db2.gz KDHKONXVZJBKKC-PBHICJAKSA-N 0 1 295.342 2.819 20 30 CFEDMN C=CCOCC(=O)C(C#N)c1ncc(C(C)(C)C)s1 ZINC000797571847 630082240 /nfs/dbraw/zinc/08/22/40/630082240.db2.gz RKZULWVLGYRERJ-JTQLQIEISA-N 0 1 278.377 2.819 20 30 CFEDMN CCC[C@H](CC)S(=O)(=O)Nc1cc(C#N)ccc1O ZINC000798247448 630173884 /nfs/dbraw/zinc/17/38/84/630173884.db2.gz AKAWGYBLJNGLFJ-NSHDSACASA-N 0 1 282.365 2.584 20 30 CFEDMN CC(C)[C@H](C(=O)OC[C@H](C#N)Cc1cccs1)N(C)C ZINC000798844937 630245363 /nfs/dbraw/zinc/24/53/63/630245363.db2.gz FQABSPSYEXRTEI-GXTWGEPZSA-N 0 1 294.420 2.560 20 30 CFEDMN C#C[C@H](N[C@@H]1CCc2cc(F)c(OC)cc21)[C@@H]1CCCO1 ZINC000798932700 630263382 /nfs/dbraw/zinc/26/33/82/630263382.db2.gz NGNFXPGBXMZKKY-XHSDSOJGSA-N 0 1 289.350 2.592 20 30 CFEDMN Cn1c(Cl)cnc1C=NNc1cc(F)c(F)cc1F ZINC000799480792 630312924 /nfs/dbraw/zinc/31/29/24/630312924.db2.gz WIWHYUITRPFNHQ-UHFFFAOYSA-N 0 1 288.660 2.937 20 30 CFEDMN Cc1cccc(CNN=Cc2cc(C(F)(F)F)n[nH]2)c1 ZINC000799483020 630313323 /nfs/dbraw/zinc/31/33/23/630313323.db2.gz CQZWUPZTJJXXKM-UHFFFAOYSA-N 0 1 282.269 2.861 20 30 CFEDMN N#Cc1ccc(N=NCc2ncc[nH]2)c(C(F)(F)F)c1 ZINC000799491671 630315213 /nfs/dbraw/zinc/31/52/13/630315213.db2.gz IFAOMNOYDAVPGH-UHFFFAOYSA-N 0 1 279.225 2.746 20 30 CFEDMN COc1cc(/C=C/C(=O)c2ccc(O)cc2O)ccc1C#N ZINC000799497520 630315624 /nfs/dbraw/zinc/31/56/24/630315624.db2.gz SXZRIBBMFZBZQZ-XVNBXDOJSA-N 0 1 295.294 2.874 20 30 CFEDMN C#C[C@H](N[C@H](C)c1cnn(C2CCCC2)c1)[C@@H]1CCCO1 ZINC000800490874 630392148 /nfs/dbraw/zinc/39/21/48/630392148.db2.gz PSPMKOTTZMFNGR-COXVUDFISA-N 0 1 287.407 2.830 20 30 CFEDMN CC(C)(C)CCCC(=O)C(C#N)C(=O)NC1CCCC1 ZINC000103640280 630429347 /nfs/dbraw/zinc/42/93/47/630429347.db2.gz UQUDRSUOZKWICT-ZDUSSCGKSA-N 0 1 278.396 2.970 20 30 CFEDMN C#C[C@@H](C)N(C)C[C@@H](OC)c1ccc(Cl)cc1 ZINC000801550866 630456850 /nfs/dbraw/zinc/45/68/50/630456850.db2.gz LBWRHJVKWACHRB-BXUZGUMPSA-N 0 1 251.757 2.981 20 30 CFEDMN C[C@H](C#N)OCCNC1(c2ccc(F)cc2F)CCC1 ZINC000801940049 630492706 /nfs/dbraw/zinc/49/27/06/630492706.db2.gz UUUCKEHTVMIKKB-LLVKDONJSA-N 0 1 280.318 2.862 20 30 CFEDMN C#CCCOc1ccc(CN2CC[C@H](OC(F)F)C2)cc1 ZINC000802658690 630536928 /nfs/dbraw/zinc/53/69/28/630536928.db2.gz MTRQDVJJTWRQHQ-HNNXBMFYSA-N 0 1 295.329 2.902 20 30 CFEDMN C=CCN1CCN(CN2CC[C@@H](c3ccccc3)[C@H]2C)C1=O ZINC000840023301 630659967 /nfs/dbraw/zinc/65/99/67/630659967.db2.gz PRNGBWXWNBLZOJ-NVXWUHKLSA-N 0 1 299.418 2.746 20 30 CFEDMN C#CCCCCCC(=O)N1CCN(CC)C[C@@H]1CC ZINC000836947903 630922078 /nfs/dbraw/zinc/92/20/78/630922078.db2.gz MUVOXVHWKMIBFY-HNNXBMFYSA-N 0 1 264.413 2.513 20 30 CFEDMN COCCOCc1ccc(C=NNc2cc(C)ccn2)cc1 ZINC000807977722 630929227 /nfs/dbraw/zinc/92/92/27/630929227.db2.gz YAIWQLGLBGNEEK-UHFFFAOYSA-N 0 1 299.374 2.999 20 30 CFEDMN C=CCONC(=O)C(C)(C)c1ccc(Cl)cc1 ZINC000837044428 630943534 /nfs/dbraw/zinc/94/35/34/630943534.db2.gz MPXDTJJZNBRWDH-UHFFFAOYSA-N 0 1 253.729 2.851 20 30 CFEDMN C=CC1CCN(CN2CCN(c3ccccc3)C2=O)CC1 ZINC000808157746 630960735 /nfs/dbraw/zinc/96/07/35/630960735.db2.gz NHTCWNPNFYYTEG-UHFFFAOYSA-N 0 1 285.391 2.784 20 30 CFEDMN Cc1ccc2nc([C@@H]3CCCN3C(=O)C#CC3CC3)[nH]c2c1 ZINC000837377017 631016496 /nfs/dbraw/zinc/01/64/96/631016496.db2.gz HDSFZQKMPOFIEL-INIZCTEOSA-N 0 1 293.370 2.948 20 30 CFEDMN C[C@H]1CCN(Cc2ccccc2)CCN1C(=O)C#CC1CC1 ZINC000837449689 631033224 /nfs/dbraw/zinc/03/32/24/631033224.db2.gz WYUFGGGBHLVAKW-INIZCTEOSA-N 0 1 296.414 2.523 20 30 CFEDMN C[C@H](C#N)OCCN1Cc2ccccc2OC(C)(C)C1 ZINC000808791480 631049316 /nfs/dbraw/zinc/04/93/16/631049316.db2.gz ZQWFWBYRPRBZEE-CYBMUJFWSA-N 0 1 274.364 2.588 20 30 CFEDMN C=CCCCCOC(=O)Cc1n[nH]c2c1CCCC2 ZINC000837647670 631096969 /nfs/dbraw/zinc/09/69/69/631096969.db2.gz ATVFWLLMUFFWFO-UHFFFAOYSA-N 0 1 262.353 2.731 20 30 CFEDMN C=CC(C)(C)C(=O)OCc1cc(O)ccc1[N+](=O)[O-] ZINC000837862532 631143856 /nfs/dbraw/zinc/14/38/56/631143856.db2.gz SXBWVQYOLZDZRH-UHFFFAOYSA-N 0 1 265.265 2.556 20 30 CFEDMN N#CC[C@@H](O)CN(Cc1ccccc1C(F)(F)F)C1CC1 ZINC000809572638 631237141 /nfs/dbraw/zinc/23/71/41/631237141.db2.gz PXEXJBMZDMVLIV-CYBMUJFWSA-N 0 1 298.308 2.944 20 30 CFEDMN CN(Cc1ccc2ccccc2c1)C[C@H](O)CC#N ZINC000809572976 631237294 /nfs/dbraw/zinc/23/72/94/631237294.db2.gz VHTJVNMNHJPSIS-MRXNPFEDSA-N 0 1 254.333 2.546 20 30 CFEDMN C=CCCCN(C)Cc1cnc(C2OCCO2)s1 ZINC000809580009 631240139 /nfs/dbraw/zinc/24/01/39/631240139.db2.gz JJBQZAMQBLNMNN-UHFFFAOYSA-N 0 1 268.382 2.587 20 30 CFEDMN C#Cc1ccc(CNCc2cc([N+](=O)[O-])ccc2OC)cc1 ZINC000809615707 631246853 /nfs/dbraw/zinc/24/68/53/631246853.db2.gz BNKIUYONBJARJP-UHFFFAOYSA-N 0 1 296.326 2.875 20 30 CFEDMN C#Cc1ccc(CNCc2cc(C#N)ccc2F)cc1 ZINC000809624116 631248551 /nfs/dbraw/zinc/24/85/51/631248551.db2.gz GUHSFLYRZQPBFG-UHFFFAOYSA-N 0 1 264.303 2.968 20 30 CFEDMN C#Cc1ccc(CN[C@H](C[S@](C)=O)c2ccccc2)cc1 ZINC000809635648 631252561 /nfs/dbraw/zinc/25/25/61/631252561.db2.gz JJASEWVNDQSQLG-NQIIRXRSSA-N 0 1 297.423 2.877 20 30 CFEDMN C#Cc1ccc(CNC2(C(=O)Nc3ccccc3)CC2)cc1 ZINC000809645206 631254600 /nfs/dbraw/zinc/25/46/00/631254600.db2.gz AUBRZRRGPJIMNK-UHFFFAOYSA-N 0 1 290.366 2.929 20 30 CFEDMN C#C[C@H](C)NCc1ccc(NC(=O)OC(C)(C)C)nc1 ZINC000809682852 631259469 /nfs/dbraw/zinc/25/94/69/631259469.db2.gz FURBPAFTVJXOBL-NSHDSACASA-N 0 1 275.352 2.540 20 30 CFEDMN C#C[C@@H](NCc1cc2c(cc1OC(F)F)OCO2)C(C)C ZINC000809684577 631261734 /nfs/dbraw/zinc/26/17/34/631261734.db2.gz HNNVOSRJUCEAEH-LLVKDONJSA-N 0 1 297.301 2.764 20 30 CFEDMN C#C[C@H](NCc1cc2ccccc2nc1OC)C(C)C ZINC000809685781 631262192 /nfs/dbraw/zinc/26/21/92/631262192.db2.gz QJPRNRJJNYKSPN-HNNXBMFYSA-N 0 1 268.360 2.991 20 30 CFEDMN CC#CCN1CCCC[C@@H]1COC(=O)NC1CCCC1 ZINC000810033545 631317944 /nfs/dbraw/zinc/31/79/44/631317944.db2.gz FTSISASWZFERTO-OAHLLOKOSA-N 0 1 278.396 2.533 20 30 CFEDMN C=C(C)CCOC(=O)[C@]1(F)CCN(C(C)(C)C)C1 ZINC000810600308 631399557 /nfs/dbraw/zinc/39/95/57/631399557.db2.gz ZJBUGWIASIZQSG-AWEZNQCLSA-N 0 1 257.349 2.708 20 30 CFEDMN CC(N=Nc1ccccc1F)c1cc2n(n1)CCC2 ZINC000841615701 631431908 /nfs/dbraw/zinc/43/19/08/631431908.db2.gz FBNMHYYHEXAWLL-UHFFFAOYSA-N 0 1 258.300 2.805 20 30 CFEDMN CN(Cn1cccc(C#N)c1=O)[C@@H]1CCC[C@@H]1C(C)(C)C ZINC000841688756 631450876 /nfs/dbraw/zinc/45/08/76/631450876.db2.gz GRSJDBCONUYXNN-LSDHHAIUSA-N 0 1 287.407 2.824 20 30 CFEDMN COc1ccc(CN[C@@H]2COCc3ccccc32)cc1C#N ZINC000841892127 631488979 /nfs/dbraw/zinc/48/89/79/631488979.db2.gz YPUAAEFPKWIGDU-QGZVFWFLSA-N 0 1 294.354 2.928 20 30 CFEDMN CC[C@@H](CC1CCCC1)C(=O)C(C#N)C(=O)NC1CC1 ZINC000842288756 631579897 /nfs/dbraw/zinc/57/98/97/631579897.db2.gz JUDQHXHKNUQNQG-JSGCOSHPSA-N 0 1 276.380 2.580 20 30 CFEDMN C=CCCN(C)CN1CC[C@H](Cc2ccccc2)C1=O ZINC000811765875 631619853 /nfs/dbraw/zinc/61/98/53/631619853.db2.gz KMQZXNYKCTVQPX-MRXNPFEDSA-N 0 1 272.392 2.543 20 30 CFEDMN C[C@H]1CC(N=NC23CC(C2)C3)CN1Cc1ccccc1 ZINC000842546961 631661977 /nfs/dbraw/zinc/66/19/77/631661977.db2.gz ZKFDHIYLYZFRIS-KTAKPFMOSA-N 0 1 269.392 2.779 20 30 CFEDMN COc1cccc(NN=Cc2cc(F)ccc2OC)n1 ZINC000812227825 631670475 /nfs/dbraw/zinc/67/04/75/631670475.db2.gz RLXRIHNLRIMPQW-UHFFFAOYSA-N 0 1 275.283 2.684 20 30 CFEDMN C#CCON=C1C[C@@H](C)CN(Cc2ccccc2)C1 ZINC000812233024 631672648 /nfs/dbraw/zinc/67/26/48/631672648.db2.gz LFSPGNFKABCJEX-CQSZACIVSA-N 0 1 256.349 2.534 20 30 CFEDMN C#CC[C@@H]1CCCN(CN2C(=O)C[C@H]2c2ccccc2)C1 ZINC000842628767 631685081 /nfs/dbraw/zinc/68/50/81/631685081.db2.gz FRFVLYHMANTQCZ-WBVHZDCISA-N 0 1 282.387 2.653 20 30 CFEDMN C#CC1CCN(CN2C[C@](C)(C3CCCC3)CC2=O)CC1 ZINC000842634729 631688482 /nfs/dbraw/zinc/68/84/82/631688482.db2.gz ZZTDCJPWHHWRRE-GOSISDBHSA-N 0 1 288.435 2.718 20 30 CFEDMN CC1(C)CCC[C@@H]1[C@H]1CCN(Cn2cccc(C#N)c2=O)C1 ZINC000842635324 631688925 /nfs/dbraw/zinc/68/89/25/631688925.db2.gz MAZVZBSJZOBAEI-JKSUJKDBSA-N 0 1 299.418 2.826 20 30 CFEDMN CCC[C@H](C)CC(=O)C(C#N)C(=O)NCc1ccccc1 ZINC000155463714 650022089 /nfs/dbraw/zinc/02/20/89/650022089.db2.gz SPNOBPPZUSRONJ-DZGCQCFKSA-N 0 1 286.375 2.838 20 30 CFEDMN COC1(C(=O)[C@@H](C#N)c2nc3cc(F)ccc3s2)CC1 ZINC000842711535 631714115 /nfs/dbraw/zinc/71/41/15/631714115.db2.gz GQWWUBZWROHHLI-SECBINFHSA-N 0 1 290.319 2.791 20 30 CFEDMN Cc1[nH]c(=NOCCOC(C)C)c(Cl)cc1C#N ZINC000812488845 631723121 /nfs/dbraw/zinc/72/31/21/631723121.db2.gz NQRUPKNGLVVGKW-UHFFFAOYSA-N 0 1 269.732 2.684 20 30 CFEDMN C#C[C@H](N[C@@H]1CCCc2ccc(O)cc21)[C@H]1CCCO1 ZINC000812731709 631764788 /nfs/dbraw/zinc/76/47/88/631764788.db2.gz RCNJQJMZEDLFRP-GVDBMIGSSA-N 0 1 271.360 2.540 20 30 CFEDMN C#CCN(CC(=O)N[C@H]1CCCC[C@H]1C)C1CCCC1 ZINC000155784087 650032005 /nfs/dbraw/zinc/03/20/05/650032005.db2.gz AXRCSLDBVTXJBF-ZBFHGGJFSA-N 0 1 276.424 2.559 20 30 CFEDMN C#CCN(CC(=O)N1CCCC[C@@H]1CC)C1CCCC1 ZINC000155868849 650035362 /nfs/dbraw/zinc/03/53/62/650035362.db2.gz SVRARJSDCGYEEP-HNNXBMFYSA-N 0 1 276.424 2.655 20 30 CFEDMN N#CC(C(=O)C1CC1)c1cc(C(F)(F)F)ccn1 ZINC000813216415 631882980 /nfs/dbraw/zinc/88/29/80/631882980.db2.gz RCFOHXBNSPEGOP-VIFPVBQESA-N 0 1 254.211 2.687 20 30 CFEDMN N#C[C@@H](C(=O)[C@H]1CCCOC1)c1cc(C(F)(F)F)ccn1 ZINC000813218096 631883002 /nfs/dbraw/zinc/88/30/02/631883002.db2.gz MBGMCIWGMGRNHK-GXSJLCMTSA-N 0 1 298.264 2.703 20 30 CFEDMN N#Cc1ccc(O)c(NC(=O)[C@H]2CCCCCC(=O)C2)c1 ZINC000813501222 631926946 /nfs/dbraw/zinc/92/69/46/631926946.db2.gz UAHVMIDCZOVAKF-LBPRGKRZSA-N 0 1 286.331 2.742 20 30 CFEDMN C#C[C@@H](NCc1ccc2c(c1)CCCC2)[C@@H]1CCCO1 ZINC000813776313 631958354 /nfs/dbraw/zinc/95/83/54/631958354.db2.gz UTKZUWBHQOYZKI-MSOLQXFVSA-N 0 1 269.388 2.836 20 30 CFEDMN C#CC[C@@H]1CCCN(C(=O)[C@@H](c2ccccc2)N(C)CC)C1 ZINC000843672791 632018953 /nfs/dbraw/zinc/01/89/53/632018953.db2.gz CVRMYOGNMMFBSR-SJLPKXTDSA-N 0 1 298.430 2.941 20 30 CFEDMN O=[N+]([O-])c1ccccc1NN=Cc1cnn(CC(F)F)c1 ZINC000814212716 632039578 /nfs/dbraw/zinc/03/95/78/632039578.db2.gz WDSMROTYVAETLJ-UHFFFAOYSA-N 0 1 295.249 2.502 20 30 CFEDMN Cc1nnsc1C=NNc1ncc(Cl)cc1Cl ZINC000814215670 632039915 /nfs/dbraw/zinc/03/99/15/632039915.db2.gz SHWRYYMFMJWWEG-UHFFFAOYSA-N 0 1 288.163 2.994 20 30 CFEDMN C#CCN1CCC(C(=O)N2CCCC[C@@H]2C2CCC2)CC1 ZINC000843742506 632045121 /nfs/dbraw/zinc/04/51/21/632045121.db2.gz FVIFKEIDQPMWKM-QGZVFWFLSA-N 0 1 288.435 2.513 20 30 CFEDMN COc1ccncc1CNCc1ccc(O[C@@H](C)C#N)cc1 ZINC000814298994 632050735 /nfs/dbraw/zinc/05/07/35/632050735.db2.gz ZYUVTVXQPJLHJH-ZDUSSCGKSA-N 0 1 297.358 2.671 20 30 CFEDMN CC(C)(C)c1nnc(COC(=O)c2cccc(CC#N)c2)[nH]1 ZINC000814441986 632064649 /nfs/dbraw/zinc/06/46/49/632064649.db2.gz SQJIRZTVCPEZHV-UHFFFAOYSA-N 0 1 298.346 2.525 20 30 CFEDMN CC(C)(C)c1nc(COC(=O)c2cccc(CC#N)c2)n[nH]1 ZINC000814441986 632064659 /nfs/dbraw/zinc/06/46/59/632064659.db2.gz SQJIRZTVCPEZHV-UHFFFAOYSA-N 0 1 298.346 2.525 20 30 CFEDMN Cc1cc(C#N)ccc1C(=O)OCc1nnc(C(C)(C)C)[nH]1 ZINC000814461553 632070075 /nfs/dbraw/zinc/07/00/75/632070075.db2.gz WCLOUQLRSPRBOS-UHFFFAOYSA-N 0 1 298.346 2.639 20 30 CFEDMN Cc1cc(C#N)ccc1C(=O)OCc1n[nH]c(C(C)(C)C)n1 ZINC000814461553 632070077 /nfs/dbraw/zinc/07/00/77/632070077.db2.gz WCLOUQLRSPRBOS-UHFFFAOYSA-N 0 1 298.346 2.639 20 30 CFEDMN C#CC[C@H]1CCCN(C(=O)c2ccc(O)c(Cl)c2)C1 ZINC000844003834 632093647 /nfs/dbraw/zinc/09/36/47/632093647.db2.gz TZERWJPWPURKRU-NSHDSACASA-N 0 1 277.751 2.921 20 30 CFEDMN C#CC[C@@H]1CCCN(C(=O)c2cccc3[nH]c(C)nc32)C1 ZINC000844005499 632093940 /nfs/dbraw/zinc/09/39/40/632093940.db2.gz OTTXKZBYCLXERF-CYBMUJFWSA-N 0 1 281.359 2.747 20 30 CFEDMN Cc1cc(=O)nc(NN=C2CCC[C@H]2C(C)(C)C#N)[nH]1 ZINC000814681280 632107075 /nfs/dbraw/zinc/10/70/75/632107075.db2.gz FEODQHINEBKSLQ-SNVBAGLBSA-N 0 1 273.340 2.608 20 30 CFEDMN CC(=NN=c1nc[nH]c2sc(C)c(C)c21)c1cc[nH]n1 ZINC000814725792 632113973 /nfs/dbraw/zinc/11/39/73/632113973.db2.gz CLQTUSXPQXXJDA-UHFFFAOYSA-N 0 1 286.364 2.867 20 30 CFEDMN Cc1cc2c(cc1C)C(=NNc1ccccn1)CO2 ZINC000814731851 632115366 /nfs/dbraw/zinc/11/53/66/632115366.db2.gz LWZLQBWZCQNHLD-UHFFFAOYSA-N 0 1 253.305 2.907 20 30 CFEDMN C=C(Br)CNCc1ccc(O[C@H](C)C#N)cc1 ZINC000105453122 632135690 /nfs/dbraw/zinc/13/56/90/632135690.db2.gz HVAYCSZVLLXGIG-LLVKDONJSA-N 0 1 295.180 2.976 20 30 CFEDMN Fc1ccc(NNC2=C[C@H](C(F)(F)F)OCC2)nc1 ZINC000814842707 632137165 /nfs/dbraw/zinc/13/71/65/632137165.db2.gz PMRMZINJWDGCIE-SECBINFHSA-N 0 1 277.221 2.730 20 30 CFEDMN Cc1cc(NN=C2COc3c2cccc3Cl)ncn1 ZINC000814846112 632137236 /nfs/dbraw/zinc/13/72/36/632137236.db2.gz GRHOOIIJBMPHRU-UHFFFAOYSA-N 0 1 274.711 2.647 20 30 CFEDMN Cc1cc(=NN=C2COc3c2cccc3Cl)nc[nH]1 ZINC000814846112 632137239 /nfs/dbraw/zinc/13/72/39/632137239.db2.gz GRHOOIIJBMPHRU-UHFFFAOYSA-N 0 1 274.711 2.647 20 30 CFEDMN Cc1ccnc(N=NCc2ccc3oncc3c2)c1 ZINC000814867726 632142387 /nfs/dbraw/zinc/14/23/87/632142387.db2.gz CZSUEGLIWOWGPT-UHFFFAOYSA-N 0 1 252.277 2.977 20 30 CFEDMN OC[C@H](CCF)/N=C\c1cc(Cl)cc(Cl)c1O ZINC000844271076 632150522 /nfs/dbraw/zinc/15/05/22/632150522.db2.gz LUZXIJKVHZIZCA-DSGHGPTJSA-N 0 1 280.126 2.838 20 30 CFEDMN Fc1cnc(NN=Cc2conc2Cc2ccccc2)nc1 ZINC000814888821 632151109 /nfs/dbraw/zinc/15/11/09/632151109.db2.gz RBSDQNUYUSPIIJ-UHFFFAOYSA-N 0 1 297.293 2.641 20 30 CFEDMN COC[C@@H](C)N=NC1CCCN(Cc2ccccc2)[C@@H]1C ZINC000814895615 632152558 /nfs/dbraw/zinc/15/25/58/632152558.db2.gz PCHMXUNMAGANRA-HUUCEWRRSA-N 0 1 289.423 2.651 20 30 CFEDMN Nc1ccc2c(c1)C(=NOC1CCOCC1)CCC2 ZINC000814906465 632158053 /nfs/dbraw/zinc/15/80/53/632158053.db2.gz WLIXHSKOZBTZBI-UHFFFAOYSA-N 0 1 260.337 2.505 20 30 CFEDMN COc1ccc(N=NCc2ncc(CSC)s2)nc1 ZINC000814909921 632160985 /nfs/dbraw/zinc/16/09/85/632160985.db2.gz SGVXUJPAGWGHHF-UHFFFAOYSA-N 0 1 294.405 2.856 20 30 CFEDMN CC(C)OCCON=C1CCCc2ccc(N)cc21 ZINC000814936752 632173654 /nfs/dbraw/zinc/17/36/54/632173654.db2.gz IEEHIFJFZGKRGA-UHFFFAOYSA-N 0 1 262.353 2.751 20 30 CFEDMN Clc1cccc(NN=Cc2ccccc2-n2cncn2)n1 ZINC000814939242 632175080 /nfs/dbraw/zinc/17/50/80/632175080.db2.gz JOKNZAOHUCFVHI-UHFFFAOYSA-N 0 1 298.737 2.762 20 30 CFEDMN Cn1cccc1C=NNc1ccc(F)c(F)c1F ZINC000814945491 632176954 /nfs/dbraw/zinc/17/69/54/632176954.db2.gz YGOIKBLSVAGPEC-UHFFFAOYSA-N 0 1 253.227 2.888 20 30 CFEDMN CN(CCC(=O)C(C)(C)C)C[C@H](O)c1cccc(C#N)c1 ZINC000844372107 632183456 /nfs/dbraw/zinc/18/34/56/632183456.db2.gz UXLUKGRBSPEOIO-HNNXBMFYSA-N 0 1 288.391 2.529 20 30 CFEDMN CC(=NNc1cnnn1C)c1nc(-c2ccccc2)cs1 ZINC000814983602 632185542 /nfs/dbraw/zinc/18/55/42/632185542.db2.gz NIUXMKYJWLQRGW-UHFFFAOYSA-N 0 1 298.375 2.775 20 30 CFEDMN C#CCCCCCC(=O)N1[C@H](C)CN(C)[C@@H](C)[C@H]1C ZINC000844642029 632272992 /nfs/dbraw/zinc/27/29/92/632272992.db2.gz GOGNDHBLKXOXTJ-QLFBSQMISA-N 0 1 264.413 2.510 20 30 CFEDMN CN(C)Cc1ccc(NC(=O)c2ccc(C#N)o2)cc1F ZINC000815753066 632318891 /nfs/dbraw/zinc/31/88/91/632318891.db2.gz QFBRFLHFWYSIKY-UHFFFAOYSA-N 0 1 287.294 2.604 20 30 CFEDMN N#C[C@@H](C(=O)NC1CCCC1)C(=O)[C@H]1CC2CCC1CC2 ZINC000815913024 632332033 /nfs/dbraw/zinc/33/20/33/632332033.db2.gz GBHUWDBXNSOXCA-CXTZMWEQSA-N 0 1 288.391 2.580 20 30 CFEDMN CC[C@@H](CC(=O)[C@H](C#N)C(=O)NC1CCCC1)C(C)C ZINC000105759324 632363420 /nfs/dbraw/zinc/36/34/20/632363420.db2.gz SJUAVKLQNISYIB-JSGCOSHPSA-N 0 1 278.396 2.826 20 30 CFEDMN N#CC(C(=O)Nc1ccccc1)C(=O)[C@@H]1C[C@H]1C1CCC1 ZINC000845443545 632436056 /nfs/dbraw/zinc/43/60/56/632436056.db2.gz YXMNWFUFDHNJOO-RRFJBIMHSA-N 0 1 282.343 2.770 20 30 CFEDMN N#CC(C(=O)NC1CCCC1)C(=O)[C@@H]1C[C@@H]1C1CCCC1 ZINC000845452768 632437985 /nfs/dbraw/zinc/43/79/85/632437985.db2.gz ZFKBWWXSVYLEBG-KFWWJZLASA-N 0 1 288.391 2.580 20 30 CFEDMN CN(CCN1CCCCC1)c1snc(Cl)c1C#N ZINC000845772290 632559784 /nfs/dbraw/zinc/55/97/84/632559784.db2.gz ZULQPLHQOHIONP-UHFFFAOYSA-N 0 1 284.816 2.590 20 30 CFEDMN C=CCCC(=O)C(C#N)=C(O)C1(c2ccccc2)CC1 ZINC000845839254 632577603 /nfs/dbraw/zinc/57/76/03/632577603.db2.gz STCFBEOIQYCBMX-CQSZACIVSA-N 0 1 267.328 2.962 20 30 CFEDMN COC[C@H](C)CC(=O)C(C#N)=C(O)C1(c2ccccc2)CC1 ZINC000845841053 632578353 /nfs/dbraw/zinc/57/83/53/632578353.db2.gz JKDZZEXUULQJOG-UKRRQHHQSA-N 0 1 299.370 2.669 20 30 CFEDMN N#CC(C(=O)Cc1ccco1)=C(O)C1(c2ccccc2)CC1 ZINC000845841250 632578429 /nfs/dbraw/zinc/57/84/29/632578429.db2.gz MABVQPKGAYGOAT-OAHLLOKOSA-N 0 1 293.322 2.832 20 30 CFEDMN N#CC(C(=O)CSC1CC1)=C(O)C1(c2ccccc2)CC1 ZINC000845845466 632579246 /nfs/dbraw/zinc/57/92/46/632579246.db2.gz XUTMRTQJAIOUIZ-AWEZNQCLSA-N 0 1 299.395 2.892 20 30 CFEDMN N#CC(C(=O)[C@H]1CC12CC2)=C(O)C1(c2ccccc2)CC1 ZINC000845844864 632579498 /nfs/dbraw/zinc/57/94/98/632579498.db2.gz UUIWTNZWBMTQFJ-ZIAGYGMSSA-N 0 1 279.339 2.796 20 30 CFEDMN C[C@@H](CC#N)NN=C1CCCCc2ccc(N)cc21 ZINC000817326475 632602342 /nfs/dbraw/zinc/60/23/42/632602342.db2.gz WWSXHEAZJGLWLC-NSHDSACASA-N 0 1 256.353 2.591 20 30 CFEDMN CCc1cccc(CNCc2ccc(C#N)cn2)c1 ZINC000845960634 632605120 /nfs/dbraw/zinc/60/51/20/632605120.db2.gz SUWBWMSQFMGIIH-UHFFFAOYSA-N 0 1 251.333 2.805 20 30 CFEDMN O[C@@H]1CCC[C@H]1NN=Cc1ccc(N2CCCCC2)s1 ZINC000817333238 632605690 /nfs/dbraw/zinc/60/56/90/632605690.db2.gz YTNFQHYFSNREJW-ZIAGYGMSSA-N 0 1 293.436 2.575 20 30 CFEDMN CC(=NN[C@@H]1CCC[C@H]1O)c1[nH]c(-c2ccccc2)nc1C ZINC000817333754 632605757 /nfs/dbraw/zinc/60/57/57/632605757.db2.gz XHAYSRGJWMHJLW-HUUCEWRRSA-N 0 1 298.390 2.612 20 30 CFEDMN C[C@H](CC(=O)N1CCCCCC1)NCC1(C#N)CCCC1 ZINC000846010315 632613769 /nfs/dbraw/zinc/61/37/69/632613769.db2.gz JTKOYTDFVVOMJK-OAHLLOKOSA-N 0 1 291.439 2.841 20 30 CFEDMN Cn1nc(C2CC2)cc1CNCc1ccc(C#N)s1 ZINC000817410668 632623550 /nfs/dbraw/zinc/62/35/50/632623550.db2.gz DAYRBRKMCCMBIU-UHFFFAOYSA-N 0 1 272.377 2.520 20 30 CFEDMN CC[C@@H](C#N)C(=O)NCc1cc(Cl)cc(Cl)c1O ZINC000846159852 632649694 /nfs/dbraw/zinc/64/96/94/632649694.db2.gz KJGFZGOJILZKBJ-ZETCQYMHSA-N 0 1 287.146 2.865 20 30 CFEDMN C=CC[N@@H+](CC(=O)[O-])C[C@@H](OC)c1ccc(Cl)cc1 ZINC000846263158 632676767 /nfs/dbraw/zinc/67/67/67/632676767.db2.gz BXIJVJMDHCIJAS-CYBMUJFWSA-N 0 1 283.755 2.600 20 30 CFEDMN C=C(C)CONC(=O)C(C)(C)c1ccc(F)cc1 ZINC000846538502 632727671 /nfs/dbraw/zinc/72/76/71/632727671.db2.gz IQTJIADXRNTKLB-UHFFFAOYSA-N 0 1 251.301 2.727 20 30 CFEDMN C=C(C)CONC(=O)[C@H]1COc2ccc(Cl)cc2C1 ZINC000846540106 632728284 /nfs/dbraw/zinc/72/82/84/632728284.db2.gz NAONLRKYEOTYLF-LLVKDONJSA-N 0 1 281.739 2.515 20 30 CFEDMN C=C[C@@H](C)ONC(=O)Cc1nc(-c2ccccc2)oc1C ZINC000846542581 632730691 /nfs/dbraw/zinc/73/06/91/632730691.db2.gz AKISTNXVPNCKNR-LLVKDONJSA-N 0 1 286.331 2.815 20 30 CFEDMN C=C[C@H](C)ONC(=O)[C@@H](C)c1c(F)cccc1F ZINC000846546945 632735364 /nfs/dbraw/zinc/73/53/64/632735364.db2.gz HEBUHFIFDRQALN-IUCAKERBSA-N 0 1 255.264 2.691 20 30 CFEDMN C=C[C@H](C)ONC(=O)[C@H](C)[C@H]1OCCc2sccc21 ZINC000846552443 632739714 /nfs/dbraw/zinc/73/97/14/632739714.db2.gz HSPBQZWPHKNMAF-OPQQBVKSSA-N 0 1 281.377 2.620 20 30 CFEDMN CCCCCCCCC(=O)N1CCN(CC(C)(C)O)CC1 ZINC000106401634 632757792 /nfs/dbraw/zinc/75/77/92/632757792.db2.gz RJPVYADBSFHMJO-UHFFFAOYSA-N 0 1 298.471 2.652 20 30 CFEDMN CN(Cc1ccc(C#N)cc1)CC1(Br)CC1 ZINC000846765841 632790547 /nfs/dbraw/zinc/79/05/47/632790547.db2.gz YLEFBRFQLAKNDG-UHFFFAOYSA-N 0 1 279.181 2.918 20 30 CFEDMN C#C[C@H]1CCCN(Cc2ccc(C(F)(F)F)cn2)C1 ZINC000847017305 632882116 /nfs/dbraw/zinc/88/21/16/632882116.db2.gz BPJYAYATWTVDDE-NSHDSACASA-N 0 1 268.282 2.946 20 30 CFEDMN C#C[C@H]1CCCN([C@H](C)C(=O)Nc2cc(C)ccc2C)C1 ZINC000847022006 632887764 /nfs/dbraw/zinc/88/77/64/632887764.db2.gz DUPSRMVKWRWLEC-CVEARBPZSA-N 0 1 284.403 2.976 20 30 CFEDMN C#C[C@H]1CCCN([C@H](C)C(=O)N2CCCc3ccccc32)C1 ZINC000847025542 632890773 /nfs/dbraw/zinc/89/07/73/632890773.db2.gz CHLHILPRQMCIKO-CVEARBPZSA-N 0 1 296.414 2.700 20 30 CFEDMN C#C[C@@H]1CCCN(CC(=O)N[C@H](C)c2ccc(C)c(C)c2)C1 ZINC000847030735 632893777 /nfs/dbraw/zinc/89/37/77/632893777.db2.gz RSAHIUOBKKBTAH-IAGOWNOFSA-N 0 1 298.430 2.826 20 30 CFEDMN C#C[C@@H]1CCCN([C@H](C)C(=O)N(CC)C2CCCCC2)C1 ZINC000847030262 632894209 /nfs/dbraw/zinc/89/42/09/632894209.db2.gz PSLVZUJGJQMKKE-HZPDHXFCSA-N 0 1 290.451 2.901 20 30 CFEDMN C#C[C@@H]1CCCN([C@@H](C)C(=O)Nc2ccc(C)c(C)c2)C1 ZINC000847029905 632894684 /nfs/dbraw/zinc/89/46/84/632894684.db2.gz OECFFJRLTQZODI-JKSUJKDBSA-N 0 1 284.403 2.976 20 30 CFEDMN CCCCCCCC(=O)N1CCN(C)C[C@H]1CC ZINC000818971271 632918084 /nfs/dbraw/zinc/91/80/84/632918084.db2.gz MPUJHDNMBLODHM-CQSZACIVSA-N 0 1 254.418 2.900 20 30 CFEDMN C#CCCCN[C@@H](Cc1ccccc1)c1ncco1 ZINC000847095901 632919175 /nfs/dbraw/zinc/91/91/75/632919175.db2.gz KGINMJGTMSGZPW-HNNXBMFYSA-N 0 1 254.333 2.961 20 30 CFEDMN N#CCCCCC(=O)Nc1nc(-c2cccs2)n[nH]1 ZINC000847433347 632987361 /nfs/dbraw/zinc/98/73/61/632987361.db2.gz AYQOLBFTIXHCTP-UHFFFAOYSA-N 0 1 275.337 2.556 20 30 CFEDMN C=C(C)C(C)(C)C(=O)NCc1n[nH]c(-c2ccccc2)n1 ZINC000819211103 633020923 /nfs/dbraw/zinc/02/09/23/633020923.db2.gz SDCCMTBLKVXIPR-UHFFFAOYSA-N 0 1 284.363 2.690 20 30 CFEDMN C=C(C)C(C)(C)C(=O)NCc1nc(-c2ccccc2)n[nH]1 ZINC000819211103 633020927 /nfs/dbraw/zinc/02/09/27/633020927.db2.gz SDCCMTBLKVXIPR-UHFFFAOYSA-N 0 1 284.363 2.690 20 30 CFEDMN C[C@@H](C#N)Oc1ccccc1NC(=O)[C@@H](C)Cc1cnc[nH]1 ZINC000847693826 633043385 /nfs/dbraw/zinc/04/33/85/633043385.db2.gz ZIVCNJHPUPECOY-RYUDHWBXSA-N 0 1 298.346 2.518 20 30 CFEDMN C=CC[C@@H]1CCCN(Cc2cn(C)nc2Cl)C1 ZINC000857049620 635918310 /nfs/dbraw/zinc/91/83/10/635918310.db2.gz NGMUARBVDBKNNN-LLVKDONJSA-N 0 1 253.777 2.862 20 30 CFEDMN Fc1ccccc1CNN=C1CCCN2CCCC[C@@H]12 ZINC000848411635 633252702 /nfs/dbraw/zinc/25/27/02/633252702.db2.gz ARCCUQZZUKOQFE-INIZCTEOSA-N 0 1 275.371 2.920 20 30 CFEDMN c1cn(CCCNN=C2CC[C@@H]3CNc4cccc2c43)cn1 ZINC000848416418 633254200 /nfs/dbraw/zinc/25/42/00/633254200.db2.gz KXEIHGSLYMQXFA-CYBMUJFWSA-N 0 1 295.390 2.570 20 30 CFEDMN C#C[C@H]1CCCN(Cc2cc(OC)cc3c2O[C@@H](C)C3)C1 ZINC000848923179 633405014 /nfs/dbraw/zinc/40/50/14/633405014.db2.gz ALWQWVKVEPWRHW-KBPBESRZSA-N 0 1 285.387 2.864 20 30 CFEDMN C#C[C@@H]1CCCN(Cc2ccnn2-c2ccc(F)cc2)C1 ZINC000848923946 633406789 /nfs/dbraw/zinc/40/67/89/633406789.db2.gz LONVOKPMVISFLB-CQSZACIVSA-N 0 1 283.350 2.857 20 30 CFEDMN C#C[C@H]1CCCN(C/C=C\c2ccccc2[N+](=O)[O-])C1 ZINC000848924462 633407792 /nfs/dbraw/zinc/40/77/92/633407792.db2.gz SUKLMQQYYWWTPJ-PIZKADEWSA-N 0 1 270.332 2.953 20 30 CFEDMN C#CC[C@@H]1CCC[N@H+](Cc2ccc(C(=O)[O-])s2)C1 ZINC000849345182 633622788 /nfs/dbraw/zinc/62/27/88/633622788.db2.gz VJFBSLMPABSWIH-LLVKDONJSA-N 0 1 263.362 2.682 20 30 CFEDMN C#CC[C@H]1CCC[N@H+]([C@H](C(=O)[O-])c2ccsc2)C1 ZINC000849344266 633622882 /nfs/dbraw/zinc/62/28/82/633622882.db2.gz HDPPOOUAHKJYMS-AAEUAGOBSA-N 0 1 263.362 2.609 20 30 CFEDMN C=C(Cl)C[N@@H+]1CC[C@H](C(=O)[O-])[C@@H]2CCCC[C@@H]21 ZINC000849346717 633625147 /nfs/dbraw/zinc/62/51/47/633625147.db2.gz XXVPLIJBXJVLTM-SRVKXCTJSA-N 0 1 257.761 2.704 20 30 CFEDMN CCc1nc([C@@H](C)OC(=O)C=Cc2ccccc2C#N)n[nH]1 ZINC000849673144 633666544 /nfs/dbraw/zinc/66/65/44/633666544.db2.gz RRAWJYAYEDJJNJ-ANYFNZRUSA-N 0 1 296.330 2.556 20 30 CFEDMN C=CC[C@@H](NCc1cnc(C)n1C)c1ccncc1 ZINC000850137069 633852207 /nfs/dbraw/zinc/85/22/07/633852207.db2.gz JKLANMCUXDBJGM-OAHLLOKOSA-N 0 1 256.353 2.531 20 30 CFEDMN CC[C@@H](C#N)Oc1cccc(CNCc2cnc(C)n2C)c1 ZINC000850137943 633852828 /nfs/dbraw/zinc/85/28/28/633852828.db2.gz ZEFIJHOSBLFCRY-INIZCTEOSA-N 0 1 298.390 2.699 20 30 CFEDMN N#Cc1csc(CN[C@H]2C[C@H](O)c3ccccc32)c1 ZINC000850371978 633962467 /nfs/dbraw/zinc/96/24/67/633962467.db2.gz NWTOOPMKHMEVCR-GJZGRUSLSA-N 0 1 270.357 2.888 20 30 CFEDMN N#Cc1csc(CN[C@@H]2C[C@H](O)c3ccccc32)c1 ZINC000850371977 633962589 /nfs/dbraw/zinc/96/25/89/633962589.db2.gz NWTOOPMKHMEVCR-CABCVRRESA-N 0 1 270.357 2.888 20 30 CFEDMN C#Cc1ccc(CNCc2c(C3CC3)cnn2C)cc1 ZINC000850379097 633966544 /nfs/dbraw/zinc/96/65/44/633966544.db2.gz DYOCEKSCFADBOQ-UHFFFAOYSA-N 0 1 265.360 2.569 20 30 CFEDMN C#Cc1ccc(CNC[C@@H](n2cccn2)C(F)(F)F)cc1 ZINC000858208561 636156055 /nfs/dbraw/zinc/15/60/55/636156055.db2.gz IGCDYFADMTVBHV-CQSZACIVSA-N 0 1 293.292 2.758 20 30 CFEDMN C=C[C@H](CO)[NH2+][C@@H](CC)c1ccc(C(F)(F)F)cc1[O-] ZINC000850573374 634058189 /nfs/dbraw/zinc/05/81/89/634058189.db2.gz YUKDLXULWODYSR-PWSUYJOCSA-N 0 1 289.297 2.999 20 30 CFEDMN CO[C@H](C(=O)C(C#N)c1nc(C)cs1)C1CCCC1 ZINC000850737087 634068698 /nfs/dbraw/zinc/06/86/98/634068698.db2.gz QINXICZNUKDHFD-YPMHNXCESA-N 0 1 278.377 2.833 20 30 CFEDMN CCc1ccc(NC(=O)C(C#N)C(=O)[C@H]2C[C@H]3C[C@H]3C2)cc1 ZINC000850759623 634081899 /nfs/dbraw/zinc/08/18/99/634081899.db2.gz LDDITQWLSJCTAQ-ORIJERBGSA-N 0 1 296.370 2.942 20 30 CFEDMN CCCCCCCC[C@@H](C)C(=O)C(C#N)C(=O)NC ZINC000850763397 634082857 /nfs/dbraw/zinc/08/28/57/634082857.db2.gz DLMPKBPOAOQKNT-OLZOCXBDSA-N 0 1 266.385 2.828 20 30 CFEDMN N#CC(C(=O)NC1CCCC1)C(=O)[C@@H]1CCCC2(CC2)C1 ZINC000850767665 634083375 /nfs/dbraw/zinc/08/33/75/634083375.db2.gz FGGOKKHJRPYNCG-OCCSQVGLSA-N 0 1 288.391 2.724 20 30 CFEDMN C=C[C@@H](CC(=O)O[C@H](C)c1nnc[nH]1)c1ccccc1 ZINC000853222503 634941645 /nfs/dbraw/zinc/94/16/45/634941645.db2.gz NLJBADSAUDOQDK-NEPJUHHUSA-N 0 1 271.320 2.769 20 30 CFEDMN C#CCOc1ccc([C@@H](C)NCc2ccnn2CC)cc1 ZINC000853239924 634948529 /nfs/dbraw/zinc/94/85/29/634948529.db2.gz KHZAYVCDBLYYFA-CQSZACIVSA-N 0 1 283.375 2.766 20 30 CFEDMN COc1cc2ccnc(N3CCC(C#N)CC3)c2cc1OC ZINC000853240737 634948537 /nfs/dbraw/zinc/94/85/37/634948537.db2.gz DRVHGXXXVABOEC-UHFFFAOYSA-N 0 1 297.358 2.992 20 30 CFEDMN N#CC1(c2ccc(C=NNCCN3CCCCC3)cc2)CC1 ZINC000853291180 634959747 /nfs/dbraw/zinc/95/97/47/634959747.db2.gz ANDDLIJRFAAQCJ-UHFFFAOYSA-N 0 1 296.418 2.651 20 30 CFEDMN Cn1ncc(C2CC2)c1CN=Nc1cnnc2ccccc12 ZINC000853307263 634964843 /nfs/dbraw/zinc/96/48/43/634964843.db2.gz FWHGDUSGLXPLOP-UHFFFAOYSA-N 0 1 292.346 2.687 20 30 CFEDMN C[C@@H]1CN=C(NN=Cc2cccc(C3CCCC3)c2)N1 ZINC000853329686 634970746 /nfs/dbraw/zinc/97/07/46/634970746.db2.gz CNGVRMBIUOZSAI-GFCCVEGCSA-N 0 1 270.380 2.615 20 30 CFEDMN COc1cccc(NN=Cc2c(C3CCC3)cnn2C)n1 ZINC000853331568 634971441 /nfs/dbraw/zinc/97/14/41/634971441.db2.gz XTGXILPUCLMNJJ-UHFFFAOYSA-N 0 1 285.351 2.537 20 30 CFEDMN C(=NOC1CCCCC1)c1ccnn1-c1ccncc1 ZINC000853335252 634973987 /nfs/dbraw/zinc/97/39/87/634973987.db2.gz NOBRLVYJRAGNNI-UHFFFAOYSA-N 0 1 270.336 2.951 20 30 CFEDMN C[C@H]1CCCCN1N=Cc1cc(F)c(O)c(F)c1 ZINC000853381075 634988152 /nfs/dbraw/zinc/98/81/52/634988152.db2.gz ZQLRJSMQCHZDGG-VIFPVBQESA-N 0 1 254.280 2.879 20 30 CFEDMN C[C@@H]1CCCCN1N=Cc1cc(F)c(O)c(F)c1 ZINC000853381074 634988379 /nfs/dbraw/zinc/98/83/79/634988379.db2.gz ZQLRJSMQCHZDGG-SECBINFHSA-N 0 1 254.280 2.879 20 30 CFEDMN CCCn1cc(C=NNc2ccc(Cl)cn2)cn1 ZINC000853437364 634999204 /nfs/dbraw/zinc/99/92/04/634999204.db2.gz MCDSOVGQEQJFID-UHFFFAOYSA-N 0 1 263.732 2.788 20 30 CFEDMN C(=NOCC1CCC1)c1ccccc1N1CCOCC1 ZINC000853439693 635000456 /nfs/dbraw/zinc/00/04/56/635000456.db2.gz LNDAWRMXKCSOAE-UHFFFAOYSA-N 0 1 274.364 2.674 20 30 CFEDMN C=CCCN(C)CN1CC[C@@H](C2CCCCC2)C1=O ZINC000853509217 635023055 /nfs/dbraw/zinc/02/30/55/635023055.db2.gz WYBOUIRNLTTWGK-HNNXBMFYSA-N 0 1 264.413 2.881 20 30 CFEDMN C#CC1CCN(CN2CC[C@H](C3CCCCC3)C2=O)CC1 ZINC000853518669 635026228 /nfs/dbraw/zinc/02/62/28/635026228.db2.gz LWDNESSBLUQCMU-QGZVFWFLSA-N 0 1 288.435 2.718 20 30 CFEDMN C=C1C[C@H]2CC[C@@H](C1)N2CN1C[C@H](C(C)C)CC1=O ZINC000853598479 635045913 /nfs/dbraw/zinc/04/59/13/635045913.db2.gz RVIPUWSIHQKPJV-KFWWJZLASA-N 0 1 262.397 2.631 20 30 CFEDMN C[C@@H](CC#N)C(=O)NCc1cc(Cl)cc(Cl)c1O ZINC000854474778 635312227 /nfs/dbraw/zinc/31/22/27/635312227.db2.gz NWNLAOWHZVAPIG-ZETCQYMHSA-N 0 1 287.146 2.865 20 30 CFEDMN C=CC[C@@H]1CCCN(C(=O)c2cc(Br)[nH]n2)C1 ZINC000855437662 635550237 /nfs/dbraw/zinc/55/02/37/635550237.db2.gz ZHLXFHZXFWFTFE-SECBINFHSA-N 0 1 298.184 2.601 20 30 CFEDMN C=CCCONC(=O)Cc1csc(C(C)(C)C)n1 ZINC000856031456 635706712 /nfs/dbraw/zinc/70/67/12/635706712.db2.gz PUPDVSCYPRGTST-UHFFFAOYSA-N 0 1 268.382 2.607 20 30 CFEDMN CC[C@@H](C#N)Oc1cccc(CNC(=O)C(F)(F)F)c1 ZINC000113919508 635722198 /nfs/dbraw/zinc/72/21/98/635722198.db2.gz MSXGWKDSHFSKFR-JTQLQIEISA-N 0 1 286.253 2.546 20 30 CFEDMN CC[C@@H](C#N)Oc1cccc(CNCc2c(C)n[nH]c2C)c1 ZINC000113961693 635748286 /nfs/dbraw/zinc/74/82/86/635748286.db2.gz NJDQMQWNJKESQN-HNNXBMFYSA-N 0 1 298.390 2.997 20 30 CFEDMN C[C@@H](CC1CCCC1)C(=O)C(C#N)C(=O)NC1CCCC1 ZINC000114618524 635866243 /nfs/dbraw/zinc/86/62/43/635866243.db2.gz GZTLBLBLLDIDIQ-SWLSCSKDSA-N 0 1 290.407 2.970 20 30 CFEDMN C#C[C@@H](NCc1ccnn1CCc1ccccc1)C(C)C ZINC000857045174 635916352 /nfs/dbraw/zinc/91/63/52/635916352.db2.gz AQTHGFVJLNSSOQ-GOSISDBHSA-N 0 1 281.403 2.873 20 30 CFEDMN Cc1ccc(O[C@@H]2CCN(CC#Cc3ccccc3)C2)nc1 ZINC000858041818 636117874 /nfs/dbraw/zinc/11/78/74/636117874.db2.gz WDVRJBAWUWRSFR-GOSISDBHSA-N 0 1 292.382 2.895 20 30 CFEDMN C=CC[C@@H]1CC[C@H](NC(c2ccnn2C)c2ccnn2C)C1 ZINC000858585616 636300434 /nfs/dbraw/zinc/30/04/34/636300434.db2.gz LGZORGLSQQBPCD-KGLIPLIRSA-N 0 1 299.422 2.577 20 30 CFEDMN CC[C@H]1CO[C@@H](C)CN1CCCOc1ccc(C#N)cc1 ZINC000048068821 650254163 /nfs/dbraw/zinc/25/41/63/650254163.db2.gz HUVSCJHVFSFZFO-HOCLYGCPSA-N 0 1 288.391 2.826 20 30 CFEDMN C#CCOc1cccc(NC(=O)c2cccc3nc[nH]c32)c1 ZINC000159458280 650261971 /nfs/dbraw/zinc/26/19/71/650261971.db2.gz NFKFBMHJMGSHQQ-UHFFFAOYSA-N 0 1 291.310 2.827 20 30 CFEDMN C#CC[C@H](NCC(=O)NCC(C)(C)C)c1ccccc1 ZINC000859232075 636518187 /nfs/dbraw/zinc/51/81/87/636518187.db2.gz DXZHXDKYFIVQGY-HNNXBMFYSA-N 0 1 272.392 2.503 20 30 CFEDMN CCC[C@H](C)CCCN1CCC(C#N)(C(=O)OC)CC1 ZINC000859323770 636542901 /nfs/dbraw/zinc/54/29/01/636542901.db2.gz CMNFKHQTYUPCTF-AWEZNQCLSA-N 0 1 280.412 2.982 20 30 CFEDMN C=CC[C@@H]1CCN(CC(=O)Nc2ccc(Cl)nc2)C1 ZINC000859446404 636566659 /nfs/dbraw/zinc/56/66/59/636566659.db2.gz ZHRASAWVCBHZSW-LLVKDONJSA-N 0 1 279.771 2.572 20 30 CFEDMN N#CC(C(=O)[C@@H]1C[C@H]1c1ccco1)c1ccccn1 ZINC000860467532 636892801 /nfs/dbraw/zinc/89/28/01/636892801.db2.gz LECRSFRNNGTGNV-IJLUTSLNSA-N 0 1 252.273 2.655 20 30 CFEDMN CCCC[C@@H](CC)CC(=O)[C@@H](C#N)C(=O)NC1CC1 ZINC000117532378 636896590 /nfs/dbraw/zinc/89/65/90/636896590.db2.gz CTIPTEJRGQOEAZ-DGCLKSJQSA-N 0 1 264.369 2.580 20 30 CFEDMN C#CCN1CCC[C@@H]1COC(=O)C1(C)CCC(F)(F)CC1 ZINC000860530036 636905641 /nfs/dbraw/zinc/90/56/41/636905641.db2.gz PYXUGEHCUKUPQZ-CYBMUJFWSA-N 0 1 299.361 2.843 20 30 CFEDMN N#CC(C(=O)CC1CCC(F)(F)CC1)c1ccncn1 ZINC000860655095 636939050 /nfs/dbraw/zinc/93/90/50/636939050.db2.gz BDJCDQHIZJLTNU-LLVKDONJSA-N 0 1 279.290 2.868 20 30 CFEDMN CCO[C@H](C(=O)C(C#N)c1cnc2ccccc2n1)C1CC1 ZINC000860702637 636950721 /nfs/dbraw/zinc/95/07/21/636950721.db2.gz FIYROLAOIPEVMU-SJCJKPOMSA-N 0 1 295.342 2.621 20 30 CFEDMN N#CC(C(=O)C12CC(C1)C2)=C(O)C1(c2ccccc2)CC1 ZINC000860853528 636990064 /nfs/dbraw/zinc/99/00/64/636990064.db2.gz JRNSUVDWMDTKLU-KDJCLPLCSA-N 0 1 279.339 2.796 20 30 CFEDMN C=CC(C)(C)CCNC(=O)c1nnc2ccccc2c1O ZINC000862396942 637356212 /nfs/dbraw/zinc/35/62/12/637356212.db2.gz FNHHPKUHTWOYCY-UHFFFAOYSA-N 0 1 285.347 2.668 20 30 CFEDMN Cc1c(F)nccc1CN(C)C[C@H](O)c1cccc(C#N)c1 ZINC000862401492 637359972 /nfs/dbraw/zinc/35/99/72/637359972.db2.gz POSIYDRXRGRVJH-INIZCTEOSA-N 0 1 299.349 2.566 20 30 CFEDMN C#CC[C@@H]1CCN(Cc2csc([N+](=O)[O-])c2)C1 ZINC000862443230 637383304 /nfs/dbraw/zinc/38/33/04/637383304.db2.gz MFRGPVHGIGRUMW-SNVBAGLBSA-N 0 1 250.323 2.502 20 30 CFEDMN CC[C@@H](C#N)Oc1cccc(CNCc2ccnn2CC)c1 ZINC000119222216 637535090 /nfs/dbraw/zinc/53/50/90/637535090.db2.gz XIGYPINOVLKGHN-INIZCTEOSA-N 0 1 298.390 2.874 20 30 CFEDMN Cc1cnccc1NN=C1CCCOc2ccccc21 ZINC000863156845 637569936 /nfs/dbraw/zinc/56/99/36/637569936.db2.gz DDHVCEIEURLPOS-UHFFFAOYSA-N 0 1 267.332 2.801 20 30 CFEDMN Cc1cnccc1NN=Cc1ccc([C@H]2C[C@H]2C)o1 ZINC000863157107 637571264 /nfs/dbraw/zinc/57/12/64/637571264.db2.gz IOGICQWWUKBZKV-MFKMUULPSA-N 0 1 255.321 2.974 20 30 CFEDMN Cc1cnccc1[N-][NH+]=C1CCCCc2ccc(N)cc21 ZINC000863158194 637571657 /nfs/dbraw/zinc/57/16/57/637571657.db2.gz QLADWGRRIBVVJC-UHFFFAOYSA-N 0 1 280.375 2.937 20 30 CFEDMN CC(=[NH+][N-]c1ccnc(C)c1)c1ccccc1N(C)C ZINC000863159126 637572681 /nfs/dbraw/zinc/57/26/81/637572681.db2.gz DXSLCMMIPCNPEG-UHFFFAOYSA-N 0 1 268.364 2.714 20 30 CFEDMN CCc1nn(C)c(Cl)c1C=N[N-]c1cccc(C)[nH+]1 ZINC000863159846 637573908 /nfs/dbraw/zinc/57/39/08/637573908.db2.gz GKDPGYWWCIWFRG-UHFFFAOYSA-N 0 1 277.759 2.785 20 30 CFEDMN C[C@@H](C#N)Oc1ccc(CN2C[C@@H](C)OC(C)(C)C2)cc1 ZINC000119516247 637683957 /nfs/dbraw/zinc/68/39/57/637683957.db2.gz XWSLWEIXHDBWDX-UONOGXRCSA-N 0 1 288.391 2.977 20 30 CFEDMN C=C(C)C[C@@H]([NH2+]Cc1ncc(C(C)C)s1)C(=O)[O-] ZINC000864529758 638013564 /nfs/dbraw/zinc/01/35/64/638013564.db2.gz LWEWJCPIZNLIAD-SNVBAGLBSA-N 0 1 268.382 2.776 20 30 CFEDMN C#CCN1CCC(N(C)C(=O)C23CCC(CC2)CC3)CC1 ZINC001006433879 650394245 /nfs/dbraw/zinc/39/42/45/650394245.db2.gz HHBNCCKEFUZRQM-UHFFFAOYSA-N 0 1 288.435 2.513 20 30 CFEDMN C=CCC1(C(=O)Nc2cc(C#N)ccc2O)CCC1 ZINC000189803831 650397042 /nfs/dbraw/zinc/39/70/42/650397042.db2.gz QZTGSSKZHKRNKC-UHFFFAOYSA-N 0 1 256.305 2.949 20 30 CFEDMN C#Cc1cccc(NC(=O)CN(C)CCC(C)C)c1 ZINC000076748932 650401267 /nfs/dbraw/zinc/40/12/67/650401267.db2.gz ZFXUHJFWBQTALV-UHFFFAOYSA-N 0 1 258.365 2.584 20 30 CFEDMN Cn1nc2c(c1/C=C/C(=O)c1ccccc1O)CCCC2 ZINC000865219991 638226988 /nfs/dbraw/zinc/22/69/88/638226988.db2.gz BEFNVEPPZWLRTE-ZHACJKMWSA-N 0 1 282.343 2.901 20 30 CFEDMN C#CC[C@H](CCOC)NCc1nc(C(C)(C)C)cs1 ZINC000865646410 638485184 /nfs/dbraw/zinc/48/51/84/638485184.db2.gz PHAQKMUGVRDHHL-GFCCVEGCSA-N 0 1 280.437 2.959 20 30 CFEDMN Cc1nc(CN[C@@H]2Cc3ccc(C#N)cc3C2)cs1 ZINC000865848063 638611754 /nfs/dbraw/zinc/61/17/54/638611754.db2.gz KOTXTZQYZMJLNQ-CQSZACIVSA-N 0 1 269.373 2.580 20 30 CFEDMN C#CCN(Cc1ccc(F)cc1)C[C@@H]1CC[C@@H](C)O1 ZINC000190455819 650434466 /nfs/dbraw/zinc/43/44/66/650434466.db2.gz IAUISQCNSASYRN-CJNGLKHVSA-N 0 1 261.340 2.828 20 30 CFEDMN CCC(F)(F)CN[C@@H](C)c1cccc(C#N)c1O ZINC000866400243 638815448 /nfs/dbraw/zinc/81/54/48/638815448.db2.gz WMTWLRLBYWVVKR-VIFPVBQESA-N 0 1 254.280 2.960 20 30 CFEDMN CCC(F)(F)C[NH2+][C@@H](C)c1cccc(C#N)c1[O-] ZINC000866400243 638815450 /nfs/dbraw/zinc/81/54/50/638815450.db2.gz WMTWLRLBYWVVKR-VIFPVBQESA-N 0 1 254.280 2.960 20 30 CFEDMN C[C@H](N[C@@H]1CCc2ccc(C#N)cc21)c1ccnn1C ZINC000866616138 638855392 /nfs/dbraw/zinc/85/53/92/638855392.db2.gz YVZJUFJRXWDCIK-XHDPSFHLSA-N 0 1 266.348 2.630 20 30 CFEDMN Cc1cc([C@H](C)N[C@@H]2Cc3ccc(C#N)cc3C2)no1 ZINC000866617807 638856211 /nfs/dbraw/zinc/85/62/11/638856211.db2.gz PTNBAMACYYROAV-XHDPSFHLSA-N 0 1 267.332 2.673 20 30 CFEDMN CC(C)CN(C(=O)[C@@H]1NCCc2cc(C#N)ccc21)C(C)C ZINC000867927154 638906058 /nfs/dbraw/zinc/90/60/58/638906058.db2.gz CEVPCEBMRSDGGJ-QGZVFWFLSA-N 0 1 299.418 2.638 20 30 CFEDMN CC[C@H](C)CN(CC)C(=O)[C@@H]1NCCc2cc(C#N)ccc21 ZINC000867942489 638907347 /nfs/dbraw/zinc/90/73/47/638907347.db2.gz SKJSBIAVKUOUPN-SUMWQHHRSA-N 0 1 299.418 2.640 20 30 CFEDMN CC(C)CC[C@@H](C)NC(=O)[C@@H]1NCCc2cc(C#N)ccc21 ZINC000867952906 638908633 /nfs/dbraw/zinc/90/86/33/638908633.db2.gz IPCHTXVHSVRHQS-CXAGYDPISA-N 0 1 299.418 2.686 20 30 CFEDMN C[C@@H]1CCC[C@@H](CC(=O)C(C#N)C(=O)N2CCCC2)C1 ZINC000122410516 639027299 /nfs/dbraw/zinc/02/72/99/639027299.db2.gz YKENBPCXJNFMQK-MGPQQGTHSA-N 0 1 276.380 2.534 20 30 CFEDMN C=CCCONC(=O)[C@H]1Cc2ccc(Cl)cc21 ZINC000869282333 639132116 /nfs/dbraw/zinc/13/21/16/639132116.db2.gz HUPSZIBDWSGHOT-LBPRGKRZSA-N 0 1 251.713 2.604 20 30 CFEDMN Cn1c2ccccc2nc1C(C#N)C(=O)Cc1ccoc1 ZINC000122687230 639336544 /nfs/dbraw/zinc/33/65/44/639336544.db2.gz CMDZLZYLBLKJCC-GFCCVEGCSA-N 0 1 279.299 2.585 20 30 CFEDMN Cn1c2ccccc2nc1C(C#N)C(=O)Cc1ccoc1 ZINC000122687025 639336840 /nfs/dbraw/zinc/33/68/40/639336840.db2.gz CMDZLZYLBLKJCC-LBPRGKRZSA-N 0 1 279.299 2.585 20 30 CFEDMN N#CC(C(=O)CC1CCCC1)c1nnc2n1CCCCC2 ZINC000078380231 650496901 /nfs/dbraw/zinc/49/69/01/650496901.db2.gz OZRDLHBJPUBJKB-ZDUSSCGKSA-N 0 1 286.379 2.761 20 30 CFEDMN C=CC(C)(C)C(=O)N1CC2(CN(Cc3ccccc3)C2)C1 ZINC000869814084 639419252 /nfs/dbraw/zinc/41/92/52/639419252.db2.gz SIQXKPGLCTZHLT-UHFFFAOYSA-N 0 1 284.403 2.543 20 30 CFEDMN Cc1ccc(CON=C(N)CN2CCCC[C@H]2C)cc1 ZINC000078639520 650520618 /nfs/dbraw/zinc/52/06/18/650520618.db2.gz KGJCPPYGDXGGJN-CQSZACIVSA-N 0 1 275.396 2.658 20 30 CFEDMN C#CCN1CCC(N(C)C(=O)C2CCC(C)(C)CC2)CC1 ZINC001006461736 650528039 /nfs/dbraw/zinc/52/80/39/650528039.db2.gz XCPJKPBDSIYUST-UHFFFAOYSA-N 0 1 290.451 2.759 20 30 CFEDMN CSCCCC(=O)Nc1nc2ccc(C#N)cc2[nH]1 ZINC000871069989 641183620 /nfs/dbraw/zinc/18/36/20/641183620.db2.gz DKLQVNLMJFJBIM-UHFFFAOYSA-N 0 1 274.349 2.516 20 30 CFEDMN C[C@H](C(=O)Nc1nc2ccc(C#N)cc2[nH]1)C(F)(F)F ZINC000871071267 641184888 /nfs/dbraw/zinc/18/48/88/641184888.db2.gz CKCGXRGBZIQKNE-ZCFIWIBFSA-N 0 1 282.225 2.571 20 30 CFEDMN CC(=O)CC(C)(C)CC(=O)Nc1nc2ccc(C#N)cc2[nH]1 ZINC000871073259 641185983 /nfs/dbraw/zinc/18/59/83/641185983.db2.gz VJEYXZIRNLZEOI-UHFFFAOYSA-N 0 1 298.346 2.768 20 30 CFEDMN CS[C@@H](C)CC(=O)Nc1nc2ccc(C#N)cc2[nH]1 ZINC000871072651 641186093 /nfs/dbraw/zinc/18/60/93/641186093.db2.gz NCOZKJRYZZVOLY-QMMMGPOBSA-N 0 1 274.349 2.515 20 30 CFEDMN C[C@H](CC(=O)Nc1nc2ccc(C#N)cc2[nH]1)[C@@H]1CCCO1 ZINC000871072679 641186201 /nfs/dbraw/zinc/18/62/01/641186201.db2.gz NQCNEGGKYKDDAI-YGRLFVJLSA-N 0 1 298.346 2.578 20 30 CFEDMN C[C@H](CC(=O)Nc1nc2ccc(C#N)cc2[nH]1)[C@H]1CCCO1 ZINC000871072678 641187232 /nfs/dbraw/zinc/18/72/32/641187232.db2.gz NQCNEGGKYKDDAI-QMTHXVAHSA-N 0 1 298.346 2.578 20 30 CFEDMN N#Cc1ccc2nc(NC(=O)CCCC(=O)C3CC3)[nH]c2c1 ZINC000871073277 641188111 /nfs/dbraw/zinc/18/81/11/641188111.db2.gz WAJOQIBHSHOZPH-UHFFFAOYSA-N 0 1 296.330 2.522 20 30 CFEDMN C[C@@H]1CC[C@@H](C(=O)Nc2nc3ccc(C#N)cc3[nH]2)C1 ZINC000871073295 641188514 /nfs/dbraw/zinc/18/85/14/641188514.db2.gz WOWRAXVOUQNREA-MWLCHTKSSA-N 0 1 268.320 2.809 20 30 CFEDMN C=C[C@](C)(CC)C(=O)NOCCCC(F)(F)F ZINC000871215180 641251231 /nfs/dbraw/zinc/25/12/31/641251231.db2.gz RIWBNCMPEXVWJA-SNVBAGLBSA-N 0 1 253.264 2.979 20 30 CFEDMN C=C[C@@H]1OCC[C@H]1N[C@@H](C)c1cccc(O)c1F ZINC000872075415 641607016 /nfs/dbraw/zinc/60/70/16/641607016.db2.gz CMZQGFBXQPYRFF-NDMJEZRESA-N 0 1 251.301 2.525 20 30 CFEDMN C=CCOCCCN[C@@H](C)c1c(F)cccc1[N+](=O)[O-] ZINC000872086393 641619913 /nfs/dbraw/zinc/61/99/13/641619913.db2.gz VQZZKHHVWYCPNH-NSHDSACASA-N 0 1 282.315 2.977 20 30 CFEDMN Cc1cc(C#N)ccc1CN1CCN(C)c2ncccc2C1 ZINC000872319350 641755639 /nfs/dbraw/zinc/75/56/39/641755639.db2.gz IXMXXRZVDXYKLW-UHFFFAOYSA-N 0 1 292.386 2.714 20 30 CFEDMN C[C@@H]1C(N=Nc2ncc(Cl)cc2Cl)CCN1C ZINC000872332591 641758454 /nfs/dbraw/zinc/75/84/54/641758454.db2.gz PTLNBFOWNKMTPB-SSDOTTSWSA-N 0 1 273.167 2.880 20 30 CFEDMN Cc1ccc(N=NCc2ccnn2CC2CCC2)nc1 ZINC000872347875 641761115 /nfs/dbraw/zinc/76/11/15/641761115.db2.gz HOFOAUORNSPJFU-UHFFFAOYSA-N 0 1 269.352 2.833 20 30 CFEDMN C[C@@H]1CCCCN1N=Cc1ccc(F)c(F)c1O ZINC000872388589 641787209 /nfs/dbraw/zinc/78/72/09/641787209.db2.gz KSNMBNLTRGOICK-SECBINFHSA-N 0 1 254.280 2.879 20 30 CFEDMN Cc1cc(=NN=Cc2ccccc2C2CC2)nc(N)[nH]1 ZINC000872419977 641804319 /nfs/dbraw/zinc/80/43/19/641804319.db2.gz DDFPVQXRMUJWJO-UHFFFAOYSA-N 0 1 267.336 2.691 20 30 CFEDMN CC(=NN=c1cc(C)[nH]c(N)n1)c1ccc(OC(C)C)cc1 ZINC000872420761 641805300 /nfs/dbraw/zinc/80/53/00/641805300.db2.gz YGJFSJIFVWTAFH-UHFFFAOYSA-N 0 1 299.378 2.991 20 30 CFEDMN CC(C)c1cc([C@@H]2CCCN(c3ccnc(C#N)n3)C2)[nH]n1 ZINC000872649333 641886653 /nfs/dbraw/zinc/88/66/53/641886653.db2.gz XSQDKWVOHAMRLB-GFCCVEGCSA-N 0 1 296.378 2.579 20 30 CFEDMN COc1cc(CN(C)[C@H]2CCC[C@H]2C#N)c(O)cc1C ZINC000872685429 641896137 /nfs/dbraw/zinc/89/61/37/641896137.db2.gz ZEGSEEIJGICQHF-JSGCOSHPSA-N 0 1 274.364 2.833 20 30 CFEDMN N#Cc1c(F)cccc1CNC[C@]1(O)CCc2ccccc21 ZINC000873095391 642012832 /nfs/dbraw/zinc/01/28/32/642012832.db2.gz WDPJKDPETNVUJN-GOSISDBHSA-N 0 1 296.345 2.621 20 30 CFEDMN CC1(C)CC[C@@H](O)[C@H](NCc2cccc(F)c2C#N)C1 ZINC000873149890 642031930 /nfs/dbraw/zinc/03/19/30/642031930.db2.gz GKACQNYNIHDALW-HUUCEWRRSA-N 0 1 276.355 2.727 20 30 CFEDMN Cc1cc(F)c(C#N)cc1NC(=O)CN1[C@H](C)CC[C@@H]1C ZINC000874900569 642545864 /nfs/dbraw/zinc/54/58/64/642545864.db2.gz MVKMKLQRRBRBGM-TXEJJXNPSA-N 0 1 289.354 2.817 20 30 CFEDMN CCCN1CCC[C@H]1C(=O)Nc1cc(C#N)c(F)cc1C ZINC000874900771 642546753 /nfs/dbraw/zinc/54/67/53/642546753.db2.gz ULGSDKDZUHMOSH-HNNXBMFYSA-N 0 1 289.354 2.819 20 30 CFEDMN CCOC(=O)N1CCC(C)(CN(CC)C[C@H](C)C#N)CC1 ZINC000876617220 642947481 /nfs/dbraw/zinc/94/74/81/642947481.db2.gz HRYAKZVWEVDZGT-CQSZACIVSA-N 0 1 295.427 2.727 20 30 CFEDMN CN(C)Cc1ccc(NCc2cccc(C#N)n2)cc1F ZINC000876868223 643043283 /nfs/dbraw/zinc/04/32/83/643043283.db2.gz ATAMPHUHVWNRMD-UHFFFAOYSA-N 0 1 284.338 2.766 20 30 CFEDMN CN1CCCc2cc(CNCc3cccc(C#N)n3)ccc21 ZINC000876987047 643092960 /nfs/dbraw/zinc/09/29/60/643092960.db2.gz QERUCLSOHPAHNU-UHFFFAOYSA-N 0 1 292.386 2.625 20 30 CFEDMN CC(C)CCOCCNCc1cc(C#N)cnc1Cl ZINC000876986591 643093139 /nfs/dbraw/zinc/09/31/39/643093139.db2.gz GUKXDZGRSMVUNF-UHFFFAOYSA-N 0 1 281.787 2.759 20 30 CFEDMN CO[C@@H]1C[C@H](NCc2cc(C#N)cnc2Cl)C1(C)C ZINC000877076874 643138505 /nfs/dbraw/zinc/13/85/05/643138505.db2.gz SKFNOUCFKRWENP-NWDGAFQWSA-N 0 1 279.771 2.510 20 30 CFEDMN C#CC[C@H](NCc1cc(C)c(C(=O)OC)[nH]1)c1ccccc1 ZINC000877119310 643160602 /nfs/dbraw/zinc/16/06/02/643160602.db2.gz DMYLQVUVCBXDQI-INIZCTEOSA-N 0 1 296.370 2.964 20 30 CFEDMN CCCCCCC(=O)C(C#N)C(=O)Nc1ccccn1 ZINC000126370805 643182921 /nfs/dbraw/zinc/18/29/21/643182921.db2.gz IRESLRUWFFOLET-LBPRGKRZSA-N 0 1 273.336 2.699 20 30 CFEDMN N#CC(C(=O)Cc1ccc(F)c(F)c1)c1ccccn1 ZINC000088803632 650820845 /nfs/dbraw/zinc/82/08/45/650820845.db2.gz RVMWWJIAQHGDSE-NSHDSACASA-N 0 1 272.254 2.779 20 30 CFEDMN C[C@]1(NCc2cc(C#N)cnc2Cl)CCO[C@@H]1C1CC1 ZINC000877317031 643235436 /nfs/dbraw/zinc/23/54/36/643235436.db2.gz UQZRIKMLCROQAB-HIFRSBDPSA-N 0 1 291.782 2.654 20 30 CFEDMN C#CCCCCCCN[C@@H](C(N)=O)c1ccc(F)cc1 ZINC000877379072 643252307 /nfs/dbraw/zinc/25/23/07/643252307.db2.gz COTMFLOGCZLBRI-OAHLLOKOSA-N 0 1 276.355 2.525 20 30 CFEDMN C#CCn1ccc(CN(CC)CC2(C)CCCC2)n1 ZINC000877484896 643300004 /nfs/dbraw/zinc/30/00/04/643300004.db2.gz RZUDAPLCSNVHMS-UHFFFAOYSA-N 0 1 259.397 2.919 20 30 CFEDMN C[C@@H](CO)N(Cc1cc(C#N)cnc1Cl)CC1CCC1 ZINC000877505295 643315504 /nfs/dbraw/zinc/31/55/04/643315504.db2.gz BZMVGCWQYKBGQU-NSHDSACASA-N 0 1 293.798 2.590 20 30 CFEDMN C#C[C@H](NC[C@@H](OC)[C@@H]1CCOC1)c1ccc(Cl)cc1 ZINC000877540705 643342758 /nfs/dbraw/zinc/34/27/58/643342758.db2.gz GMHVVTFTGJOVJW-VNQPRFMTSA-N 0 1 293.794 2.655 20 30 CFEDMN CC[C@H]1C[N@@H+](CC)CCN1Cc1cc(C#N)cnc1Cl ZINC000877570769 643369109 /nfs/dbraw/zinc/36/91/09/643369109.db2.gz SDZNDNVOJIKETM-AWEZNQCLSA-N 0 1 292.814 2.523 20 30 CFEDMN COC1([C@@H](C)NCc2cc(C#N)cnc2Cl)CCC1 ZINC000877591317 643385466 /nfs/dbraw/zinc/38/54/66/643385466.db2.gz SLERXIAODSLCKF-SNVBAGLBSA-N 0 1 279.771 2.654 20 30 CFEDMN CC1(C)[C@H](CNCc2cc(C#N)cnc2Cl)C1(F)F ZINC000877636358 643420432 /nfs/dbraw/zinc/42/04/32/643420432.db2.gz VBMKZOAVLPPZCG-JTQLQIEISA-N 0 1 285.725 2.988 20 30 CFEDMN C#CCCCCCCN1CCO[C@](C)(C(F)F)C1 ZINC000877644168 643427596 /nfs/dbraw/zinc/42/75/96/643427596.db2.gz RRRMCZHOIVVMAB-AWEZNQCLSA-N 0 1 259.340 2.926 20 30 CFEDMN C#CC[C@@H](COC)NCc1cc(Cl)cc(Cl)c1N ZINC000877662100 643439790 /nfs/dbraw/zinc/43/97/90/643439790.db2.gz MWBMVKHGHOPWLI-NSHDSACASA-N 0 1 287.190 2.704 20 30 CFEDMN C=CC[C@@H](C)N1CCN(C(=O)c2cccc(F)c2)CC1 ZINC000877918307 643640837 /nfs/dbraw/zinc/64/08/37/643640837.db2.gz GLJGBHWMKOBDJB-CYBMUJFWSA-N 0 1 276.355 2.548 20 30 CFEDMN C#CCCCCCN(C)CC(=O)Nc1cccc(C#C)c1 ZINC000877976990 643674802 /nfs/dbraw/zinc/67/48/02/643674802.db2.gz TXZRQADEQCRYQO-UHFFFAOYSA-N 0 1 282.387 2.732 20 30 CFEDMN CC(C)(C)OC(=O)N1CCCN(CC2(CC#N)CC2)CC1 ZINC000878039917 643707125 /nfs/dbraw/zinc/70/71/25/643707125.db2.gz CHADMFRXUVQRDC-UHFFFAOYSA-N 0 1 293.411 2.623 20 30 CFEDMN C=CCc1cc(CN2C[C@@H](C)OC[C@@H]2C)c(O)c(OC)c1 ZINC000246234826 650862034 /nfs/dbraw/zinc/86/20/34/650862034.db2.gz FYURKUPDGKSUEE-QWHCGFSZSA-N 0 1 291.391 2.739 20 30 CFEDMN C#CCCCCCN(C)Cc1ccc(S(C)(=O)=O)cc1 ZINC000878127010 643749970 /nfs/dbraw/zinc/74/99/70/643749970.db2.gz WUPPINNEFFFCLU-UHFFFAOYSA-N 0 1 293.432 2.716 20 30 CFEDMN C=CC[C@H](C)N1CCN(c2oc(C3CC3)nc2C#N)CC1 ZINC000878209570 643794502 /nfs/dbraw/zinc/79/45/02/643794502.db2.gz HNDROHVJWCURFE-LBPRGKRZSA-N 0 1 286.379 2.510 20 30 CFEDMN C[C@H](CCO)N(Cc1ccc(C#N)o1)Cc1ccccc1 ZINC000878339585 643849149 /nfs/dbraw/zinc/84/91/49/643849149.db2.gz DAZZBPNVFCWPEE-CQSZACIVSA-N 0 1 284.359 2.924 20 30 CFEDMN C=CC[C@@H](C(=O)OC)N1CC[C@H](COc2ccccc2)C1 ZINC000878391586 643870215 /nfs/dbraw/zinc/87/02/15/643870215.db2.gz OCFJAPKRABLKTD-HOCLYGCPSA-N 0 1 289.375 2.505 20 30 CFEDMN N#C[C@H](C(=O)NC1CCCCC1)C(=O)[C@H]1[C@@H]2CCCC[C@@H]21 ZINC000246531120 650872831 /nfs/dbraw/zinc/87/28/31/650872831.db2.gz PKQYSUIUNDEFQY-LJISPDSOSA-N 0 1 288.391 2.580 20 30 CFEDMN C[C@@H]1CCC[C@@H](C(=O)C(C#N)C(=O)Nc2ccccn2)C1 ZINC000246536569 650872870 /nfs/dbraw/zinc/87/28/70/650872870.db2.gz JIMOYVMEDPOZLI-UPJWGTAASA-N 0 1 285.347 2.555 20 30 CFEDMN C=CC[C@H](C)[N@@H+](C)Cc1nc(=O)c2sccc2[n-]1 ZINC000878441467 643897287 /nfs/dbraw/zinc/89/72/87/643897287.db2.gz AENRTFHCDGYPBS-VIFPVBQESA-N 0 1 263.366 2.793 20 30 CFEDMN CCN(C[C@H](C)C#N)C[C@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC000246879572 650886900 /nfs/dbraw/zinc/88/69/00/650886900.db2.gz BNTFIZFUAHFHCT-ZIAGYGMSSA-N 0 1 295.427 2.725 20 30 CFEDMN C=CCN(CCCS(=O)(=O)C(C)(C)C)C(C)(C)C ZINC000878949691 644085617 /nfs/dbraw/zinc/08/56/17/644085617.db2.gz IWZLLLWAZMLYNL-UHFFFAOYSA-N 0 1 275.458 2.876 20 30 CFEDMN C=CCCC[C@H](C(=O)NCCc1nc[nH]n1)c1ccccc1 ZINC000878981578 644097541 /nfs/dbraw/zinc/09/75/41/644097541.db2.gz LURIRAUMTNTIRL-HNNXBMFYSA-N 0 1 298.390 2.604 20 30 CFEDMN C=C1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1cccc(C(=O)OCC)n1 ZINC000878991919 644100377 /nfs/dbraw/zinc/10/03/77/644100377.db2.gz PSHXAPCCGLIJNV-GASCZTMLSA-N 0 1 286.375 2.941 20 30 CFEDMN C=CC(C)(C)CC(=O)NCCc1nc2ccc(F)cc2[nH]1 ZINC000879026473 644117610 /nfs/dbraw/zinc/11/76/10/644117610.db2.gz INSRSDZQJARAHT-UHFFFAOYSA-N 0 1 289.354 2.963 20 30 CFEDMN C=CC[C@@H]1CCN(Cc2nccc(C)c2C(=O)OCC)C1 ZINC000879032310 644119008 /nfs/dbraw/zinc/11/90/08/644119008.db2.gz RENWGGSZGVCPQR-CQSZACIVSA-N 0 1 288.391 2.965 20 30 CFEDMN CC1(C)CO[C@H](CCC(=O)Nc2cc(C#N)ccc2O)C1 ZINC000879066620 644131239 /nfs/dbraw/zinc/13/12/39/644131239.db2.gz PZHRKXLXIKOKFS-GFCCVEGCSA-N 0 1 288.347 2.798 20 30 CFEDMN C[C@@H]1C[C@H](NC(=O)OC(C)(C)C)C[N@H+]1CC1(CC#N)CC1 ZINC000879222269 644180999 /nfs/dbraw/zinc/18/09/99/644180999.db2.gz HHVHJRXSLKVXQV-OLZOCXBDSA-N 0 1 293.411 2.668 20 30 CFEDMN C[C@@H]1C[C@H](NC(=O)OC(C)(C)C)CN1CC1(CC#N)CC1 ZINC000879222269 644181003 /nfs/dbraw/zinc/18/10/03/644181003.db2.gz HHVHJRXSLKVXQV-OLZOCXBDSA-N 0 1 293.411 2.668 20 30 CFEDMN CN(CCCOC(F)(F)F)[C@H]1CCC[C@H]1C#N ZINC000879308786 644217511 /nfs/dbraw/zinc/21/75/11/644217511.db2.gz HGZRAXMCMVHATG-UWVGGRQHSA-N 0 1 250.264 2.537 20 30 CFEDMN COc1cc(C#N)ccc1C[N@H+]1C[C@@H](OC)CC[C@H]1C ZINC000879323294 644230182 /nfs/dbraw/zinc/23/01/82/644230182.db2.gz YSEJFVOOYYGACT-DOMZBBRYSA-N 0 1 274.364 2.566 20 30 CFEDMN COc1cc(C#N)ccc1CN1C[C@@H](OC)CC[C@H]1C ZINC000879323294 644230188 /nfs/dbraw/zinc/23/01/88/644230188.db2.gz YSEJFVOOYYGACT-DOMZBBRYSA-N 0 1 274.364 2.566 20 30 CFEDMN C#CCCCCCN1CCc2nnn(C3CC(C)C3)c2C1 ZINC000879330442 644234953 /nfs/dbraw/zinc/23/49/53/644234953.db2.gz CHUWJGFPZWYRGD-UHFFFAOYSA-N 0 1 286.423 2.801 20 30 CFEDMN C=CCCC[C@H](C)NC(=O)[C@H]1c2cn[nH]c2CC[C@@H]1C ZINC000879391958 644255058 /nfs/dbraw/zinc/25/50/58/644255058.db2.gz QPYIKVZGEYNSIT-SLEUVZQESA-N 0 1 275.396 2.937 20 30 CFEDMN CN(CCc1cccc(C#N)c1)CC1(Br)CC1 ZINC000879432547 644269341 /nfs/dbraw/zinc/26/93/41/644269341.db2.gz MAHUGVZKTVOFNV-UHFFFAOYSA-N 0 1 293.208 2.960 20 30 CFEDMN C=CCN1CCC(c2nc(C)c(C(=O)OCC)s2)CC1 ZINC000879679169 644377438 /nfs/dbraw/zinc/37/74/38/644377438.db2.gz GOOFHSQALYIXTE-UHFFFAOYSA-N 0 1 294.420 2.994 20 30 CFEDMN C[C@@H]1CC[C@H](CC(=O)[C@H](C#N)C(=O)NC2CCCC2)C1 ZINC000247692071 650915156 /nfs/dbraw/zinc/91/51/56/650915156.db2.gz STSWHJPTIZNCEX-DYEKYZERSA-N 0 1 276.380 2.580 20 30 CFEDMN CC(C)(C)OC(=O)N1CC[C@@H]2[C@H]1CCC[N@H+]2CCCC#N ZINC000879755456 644413076 /nfs/dbraw/zinc/41/30/76/644413076.db2.gz UAKQMNVUSUXXQH-ZIAGYGMSSA-N 0 1 293.411 2.764 20 30 CFEDMN CC(C)(C)OC(=O)N1CC[C@@H]2[C@H]1CCCN2CCCC#N ZINC000879755456 644413079 /nfs/dbraw/zinc/41/30/79/644413079.db2.gz UAKQMNVUSUXXQH-ZIAGYGMSSA-N 0 1 293.411 2.764 20 30 CFEDMN C=CC[N@H+](CCCOc1ccc(Cl)cc1)CC(=O)[O-] ZINC000092466591 650920209 /nfs/dbraw/zinc/92/02/09/650920209.db2.gz ZTXKMXQGOLUKRW-UHFFFAOYSA-N 0 1 283.755 2.682 20 30 CFEDMN C#CCCN1C[C@H]2CC[C@@H](C1)N2C(=O)CCC1CCCC1 ZINC001017316381 650924828 /nfs/dbraw/zinc/92/48/28/650924828.db2.gz IHYBUCWKKFFLIB-CALCHBBNSA-N 0 1 288.435 2.655 20 30 CFEDMN C#CCONC(=O)[C@@H](CCCC=C)c1ccccc1 ZINC000880079317 644524769 /nfs/dbraw/zinc/52/47/69/644524769.db2.gz NRCVEKYHLUSZKK-HNNXBMFYSA-N 0 1 257.333 2.808 20 30 CFEDMN O[C@H]1C[C@](NCC#Cc2ccccc2)(c2ccccc2)C1 ZINC000880222821 644587271 /nfs/dbraw/zinc/58/72/71/644587271.db2.gz JPAXTPGCXCIVID-KDURUIRLSA-N 0 1 277.367 2.678 20 30 CFEDMN CCO[C@@H](C)c1nc(CON=C(N)C(C)C)cs1 ZINC000128533525 644793650 /nfs/dbraw/zinc/79/36/50/644793650.db2.gz HUSJZLIOQVFLQS-VIFPVBQESA-N 0 1 271.386 2.685 20 30 CFEDMN COc1ccccc1CCCON=C(N)C(C)C ZINC000128558116 644797037 /nfs/dbraw/zinc/79/70/37/644797037.db2.gz XTGQOCUPAARRHF-UHFFFAOYSA-N 0 1 250.342 2.573 20 30 CFEDMN C=CCCC(C)(C)NC(=O)[C@H]1c2cn[nH]c2CC[C@H]1C ZINC000880769305 644834206 /nfs/dbraw/zinc/83/42/06/644834206.db2.gz ZJKFEMIQPVWNMA-BXUZGUMPSA-N 0 1 275.396 2.937 20 30 CFEDMN N#Cc1cccc(C[N@@H+]2[C@@H]3CCCC[C@H]3C[C@H]2C(=O)[O-])c1 ZINC000250002547 650970551 /nfs/dbraw/zinc/97/05/51/650970551.db2.gz DVEOLIVECKCMQP-XHSDSOJGSA-N 0 1 284.359 2.776 20 30 CFEDMN C=CCCC[C@@H](NC(=O)CN(C)C)c1ccccc1 ZINC000882233640 645249448 /nfs/dbraw/zinc/24/94/48/645249448.db2.gz ASAZIQDIUJGBIF-OAHLLOKOSA-N 0 1 260.381 2.762 20 30 CFEDMN C=CCCC[C@H](NC(=O)c1ncn[nH]1)c1ccccc1 ZINC000882239178 645251547 /nfs/dbraw/zinc/25/15/47/645251547.db2.gz RLBHSNIGXKSRCX-ZDUSSCGKSA-N 0 1 270.336 2.632 20 30 CFEDMN C=CCCC[C@H](NC(=O)c1nc[nH]n1)c1ccccc1 ZINC000882239178 645251553 /nfs/dbraw/zinc/25/15/53/645251553.db2.gz RLBHSNIGXKSRCX-ZDUSSCGKSA-N 0 1 270.336 2.632 20 30 CFEDMN C=CCC[C@@H](C(=O)NC[C@H]1CCN1CC)c1ccccc1 ZINC000882492411 645343260 /nfs/dbraw/zinc/34/32/60/645343260.db2.gz RNLBHQKUUTZCGS-IAGOWNOFSA-N 0 1 286.419 2.947 20 30 CFEDMN C=CCC[C@@H](C(=O)NC[C@@H]1CCN1CC)c1ccccc1 ZINC000882492410 645343605 /nfs/dbraw/zinc/34/36/05/645343605.db2.gz RNLBHQKUUTZCGS-DLBZAZTESA-N 0 1 286.419 2.947 20 30 CFEDMN C=CC[C@H](C(=O)NC[C@@H]1CCN1CC)c1ccccc1 ZINC000882493018 645343663 /nfs/dbraw/zinc/34/36/63/645343663.db2.gz WUFGJARTVHDFKT-HOTGVXAUSA-N 0 1 272.392 2.557 20 30 CFEDMN CC(C)Oc1cncc(C(=O)Nc2cc(C#N)ccc2O)c1 ZINC000129875525 645421232 /nfs/dbraw/zinc/42/12/32/645421232.db2.gz XYIAHRQPEOIBSL-UHFFFAOYSA-N 0 1 297.314 2.698 20 30 CFEDMN C#CC[C@H](CO)NCc1cc(Cl)ccc1OCC1CC1 ZINC000883125122 645614120 /nfs/dbraw/zinc/61/41/20/645614120.db2.gz ZPJUTZICWAATIY-OAHLLOKOSA-N 0 1 293.794 2.603 20 30 CFEDMN CC#CC[C@H](CO)NCc1cc(C(F)(F)F)ccc1F ZINC000883156869 645630507 /nfs/dbraw/zinc/63/05/07/645630507.db2.gz CUDGSRJNHCBRMF-GFCCVEGCSA-N 0 1 289.272 2.708 20 30 CFEDMN C=CCC[C@H](NCc1csc(N(C)C)n1)[C@H]1CCCO1 ZINC000883195016 645655237 /nfs/dbraw/zinc/65/52/37/645655237.db2.gz JBYOJRMTUMUDTH-UONOGXRCSA-N 0 1 295.452 2.813 20 30 CFEDMN C#CC1(NCc2ccc([N+](=O)[O-])cc2F)CCCC1 ZINC000883363231 645770401 /nfs/dbraw/zinc/77/04/01/645770401.db2.gz YLWXCLSKNMMZDI-UHFFFAOYSA-N 0 1 262.284 2.770 20 30 CFEDMN C#CCN1CCC(N(C)C(=O)c2ccc(Cl)s2)CC1 ZINC001006370381 646011817 /nfs/dbraw/zinc/01/18/17/646011817.db2.gz QIMAYWBJHCOWAI-UHFFFAOYSA-N 0 1 296.823 2.571 20 30 CFEDMN C#C[C@H](C)OC(=O)c1[nH]c(-c2cccc(OC)c2)nc1C ZINC000133072157 646021076 /nfs/dbraw/zinc/02/10/76/646021076.db2.gz ZETHCZDOCLONMK-JTQLQIEISA-N 0 1 284.315 2.572 20 30 CFEDMN Cc1nc(C2CCN(c3ccncc3C#N)CC2)[nH]c1C ZINC000884706763 646534766 /nfs/dbraw/zinc/53/47/66/646534766.db2.gz NACQGHPPYREXAA-UHFFFAOYSA-N 0 1 281.363 2.677 20 30 CFEDMN C[C@H]1CCc2[nH]ncc2[C@@H]1C(=O)OCc1cccc(C#N)c1 ZINC000885259157 646650030 /nfs/dbraw/zinc/65/00/30/646650030.db2.gz KSLGLDRNFIAPEZ-MEDUHNTESA-N 0 1 295.342 2.691 20 30 CFEDMN C[C@H]1CCc2[nH]ncc2[C@H]1C(=O)OCc1ccc(C#N)cc1 ZINC000885261589 646650776 /nfs/dbraw/zinc/65/07/76/646650776.db2.gz XANFPQOWAYETCT-ZBEGNZNMSA-N 0 1 295.342 2.691 20 30 CFEDMN C=CCn1ncc2ccc(NC(=O)CN(C)C(C)C)cc21 ZINC000885577198 646710838 /nfs/dbraw/zinc/71/08/38/646710838.db2.gz SRQYYMBAXLGAAW-UHFFFAOYSA-N 0 1 286.379 2.501 20 30 CFEDMN C=CC[C@H](NCc1[nH]nc(C)c1C)c1ccncc1 ZINC000885988412 646797473 /nfs/dbraw/zinc/79/74/73/646797473.db2.gz IMBAEQNFUAPWLW-AWEZNQCLSA-N 0 1 256.353 2.829 20 30 CFEDMN CC[C@](C)(NC[C@@H](O)CC1(C#N)CCC1)c1nccs1 ZINC000886069305 646852704 /nfs/dbraw/zinc/85/27/04/646852704.db2.gz FULAQAGDGQWAKM-JSGCOSHPSA-N 0 1 293.436 2.803 20 30 CFEDMN N#CC1(C[C@H](O)CN2CCc3cc(F)ccc3C2)CCC1 ZINC000886102843 646874418 /nfs/dbraw/zinc/87/44/18/646874418.db2.gz RZUUWOSXTCLAMT-INIZCTEOSA-N 0 1 288.366 2.629 20 30 CFEDMN CCc1nc([C@H](C)NC[C@H](O)CC2(C#N)CCC2)cs1 ZINC000886129729 646886443 /nfs/dbraw/zinc/88/64/43/646886443.db2.gz MGLMJXUODWRUHQ-NWDGAFQWSA-N 0 1 293.436 2.801 20 30 CFEDMN C#CC[C@H]1CC[N@H+]([C@@H](C)C(=O)Nc2ccccc2C)C1 ZINC000886354104 646982939 /nfs/dbraw/zinc/98/29/39/646982939.db2.gz VZVUZJUEWPGSAN-GJZGRUSLSA-N 0 1 270.376 2.667 20 30 CFEDMN C#CC[C@H]1CC[N@@H+](Cc2cc(-c3ccco3)on2)C1 ZINC000886354180 646982966 /nfs/dbraw/zinc/98/29/66/646982966.db2.gz XQOPUBWRANRGAN-LBPRGKRZSA-N 0 1 256.305 2.780 20 30 CFEDMN C#CC[C@H]1CCN(Cc2cc(-c3ccco3)on2)C1 ZINC000886354180 646982968 /nfs/dbraw/zinc/98/29/68/646982968.db2.gz XQOPUBWRANRGAN-LBPRGKRZSA-N 0 1 256.305 2.780 20 30 CFEDMN C#CC[C@@H]1CC[N@H+]([C@@H](C)C(=O)Nc2ccccc2C)C1 ZINC000886354106 646983377 /nfs/dbraw/zinc/98/33/77/646983377.db2.gz VZVUZJUEWPGSAN-LSDHHAIUSA-N 0 1 270.376 2.667 20 30 CFEDMN C#CC[C@@H]1CCN(Cc2ccn(-c3ccc(F)cc3)n2)C1 ZINC000886357510 646985058 /nfs/dbraw/zinc/98/50/58/646985058.db2.gz IEOKVXXKRURJJW-CQSZACIVSA-N 0 1 283.350 2.857 20 30 CFEDMN C#CC[C@H]1CCN(CC(=O)Nc2ccc(Cl)cc2C)C1 ZINC000886357590 646986254 /nfs/dbraw/zinc/98/62/54/646986254.db2.gz JDIOXBOIKBOIJI-ZDUSSCGKSA-N 0 1 290.794 2.932 20 30 CFEDMN C#CC[C@H]1CCN(CC(=O)Nc2c(C)cc(C)cc2C)C1 ZINC000886360141 646987070 /nfs/dbraw/zinc/98/70/70/646987070.db2.gz QHLJJIXUOCYFNC-INIZCTEOSA-N 0 1 284.403 2.896 20 30 CFEDMN C#CC[C@@H]1CCN([C@H](C(=O)OCC)c2ccccc2)C1 ZINC000886363005 646988088 /nfs/dbraw/zinc/98/80/88/646988088.db2.gz XBGNAHKQCSNZFB-ZBFHGGJFSA-N 0 1 271.360 2.636 20 30 CFEDMN C=CCN1CCN(CC=C)[C@H](Cc2cccc(OC)c2)C1 ZINC000886384569 646994109 /nfs/dbraw/zinc/99/41/09/646994109.db2.gz XDIONFIEIWXIBJ-QGZVFWFLSA-N 0 1 286.419 2.596 20 30 CFEDMN CC(C)[C@@H](NCc1ccc(C#N)cc1F)c1cnn(C)c1 ZINC000886524894 647028732 /nfs/dbraw/zinc/02/87/32/647028732.db2.gz SZSFASUDGGHAJI-MRXNPFEDSA-N 0 1 286.354 2.918 20 30 CFEDMN CC(C)C[C@H]1CN(C)CCN1C(=O)CCCCCC#N ZINC000886598199 647060538 /nfs/dbraw/zinc/06/05/38/647060538.db2.gz VXAYVYDEYMNYFN-HNNXBMFYSA-N 0 1 279.428 2.649 20 30 CFEDMN CC(C)[C@@H](NCc1ccc(C#N)c(F)c1)c1cnn(C)c1 ZINC000886622163 647073098 /nfs/dbraw/zinc/07/30/98/647073098.db2.gz LOTADAPEDZKUSP-MRXNPFEDSA-N 0 1 286.354 2.918 20 30 CFEDMN N#Cc1c(CN2CC[C@@]3(CO)CCC[C@@H]23)cn2ccccc12 ZINC000886623481 647073177 /nfs/dbraw/zinc/07/31/77/647073177.db2.gz FFDUJORCZBPCOZ-QZTJIDSGSA-N 0 1 295.386 2.548 20 30 CFEDMN N#Cc1ccc(CN2CC[C@@]3(CO)CCC[C@@H]23)c(Cl)c1 ZINC000886632925 647078744 /nfs/dbraw/zinc/07/87/44/647078744.db2.gz JRINJBMWKBKMPY-HZPDHXFCSA-N 0 1 290.794 2.949 20 30 CFEDMN CSc1ccc(CN[C@H](C)c2ccnn2C)cc1C#N ZINC000886690062 647112007 /nfs/dbraw/zinc/11/20/07/647112007.db2.gz NQSRTYRRNWECHP-LLVKDONJSA-N 0 1 286.404 2.864 20 30 CFEDMN N#Cc1c(F)cccc1CN1CC[C@H]([C@H]2CCCO2)C1 ZINC000886818469 647151669 /nfs/dbraw/zinc/15/16/69/647151669.db2.gz FVXOWXFBSHBCIE-XJKSGUPXSA-N 0 1 274.339 2.698 20 30 CFEDMN C#CCC1(NCc2ccn(C3CCCC3)n2)CCOCC1 ZINC000887124894 647219821 /nfs/dbraw/zinc/21/98/21/647219821.db2.gz ZMNHKXRVAXWXMC-UHFFFAOYSA-N 0 1 287.407 2.660 20 30 CFEDMN C#CCN(C(=O)c1cnc[nH]1)[C@@H]1CCCc2ccccc21 ZINC000887234174 647244671 /nfs/dbraw/zinc/24/46/71/647244671.db2.gz OBXVSHPPWSSYLI-MRXNPFEDSA-N 0 1 279.343 2.563 20 30 CFEDMN C#CCN(C(=O)c1cnc[nH]1)[C@H]1CCCc2ccccc21 ZINC000887234173 647244809 /nfs/dbraw/zinc/24/48/09/647244809.db2.gz OBXVSHPPWSSYLI-INIZCTEOSA-N 0 1 279.343 2.563 20 30 CFEDMN C[C@@H](CC(C)(C)C#N)NCC(=O)N1CCCc2ccccc21 ZINC000924828903 648055267 /nfs/dbraw/zinc/05/52/67/648055267.db2.gz LYKPSFVFNDXSNX-AWEZNQCLSA-N 0 1 299.418 2.884 20 30 CFEDMN C[C@H](NC[C@]1(C(F)(F)F)CCCN1)c1cccc(C#N)c1 ZINC000925853963 648345967 /nfs/dbraw/zinc/34/59/67/648345967.db2.gz KHARZJGPCCHDEC-FZMZJTMJSA-N 0 1 297.324 2.893 20 30 CFEDMN CC[C@H]([NH2+]CC(C)(F)F)c1cccc(C#N)c1[O-] ZINC000926485915 648506046 /nfs/dbraw/zinc/50/60/46/648506046.db2.gz KCYAHWDCNUABIL-NSHDSACASA-N 0 1 254.280 2.960 20 30 CFEDMN C[C@@H](CC(C)(C)C#N)NCc1cc(C2CC2)n(C)n1 ZINC000927108650 648714237 /nfs/dbraw/zinc/71/42/37/648714237.db2.gz SAXRJDMRSNXVDE-NSHDSACASA-N 0 1 260.385 2.715 20 30 CFEDMN C#CCN1CCC(NC(=O)C[C@H](C)CCCCC)CC1 ZINC000928655903 648939058 /nfs/dbraw/zinc/93/90/58/648939058.db2.gz CJXNHGGUWKVDEF-OAHLLOKOSA-N 0 1 278.440 2.807 20 30 CFEDMN C=CCN(Cc1cccs1)C[C@@H]1C[C@@H]2COC[C@@H]2O1 ZINC000929140165 648988196 /nfs/dbraw/zinc/98/81/96/648988196.db2.gz HYTBZPKLMYKQEO-IPYPFGDCSA-N 0 1 279.405 2.540 20 30 CFEDMN C[C@@H]1C[N@@H+](CCCCC2(C#N)CCC2)[C@@H](C)CO1 ZINC000929183053 648996986 /nfs/dbraw/zinc/99/69/86/648996986.db2.gz RTLSMVNJPJDUBI-UONOGXRCSA-N 0 1 250.386 2.960 20 30 CFEDMN C[C@@H]1CN(CCCCC2(C#N)CCC2)[C@@H](C)CO1 ZINC000929183053 648996988 /nfs/dbraw/zinc/99/69/88/648996988.db2.gz RTLSMVNJPJDUBI-UONOGXRCSA-N 0 1 250.386 2.960 20 30 CFEDMN CCOC(=O)[C@H]1CCCCN1CC1CCC(C#N)CC1 ZINC000929238110 649010623 /nfs/dbraw/zinc/01/06/23/649010623.db2.gz OHFDLHIFLGCGDX-YMAMQOFZSA-N 0 1 278.396 2.734 20 30 CFEDMN CN(Cc1cncc(C#N)c1)[C@H](CCO)c1ccccc1 ZINC000929725702 649107060 /nfs/dbraw/zinc/10/70/60/649107060.db2.gz LBDHDBRNYZJWRQ-QGZVFWFLSA-N 0 1 281.359 2.509 20 30 CFEDMN C[C@]1(O)CCCN(Cc2cc(Cl)cc(C#N)c2)CC1 ZINC000930279864 649221422 /nfs/dbraw/zinc/22/14/22/649221422.db2.gz TXHRIJDZFKFNOE-HNNXBMFYSA-N 0 1 278.783 2.949 20 30 CFEDMN CN(CCCCC1(C#N)CCC1)[C@H]1CC(C)(C)OC1=O ZINC000930563502 649274638 /nfs/dbraw/zinc/27/46/38/649274638.db2.gz WNCUDJXJLGUZTQ-ZDUSSCGKSA-N 0 1 278.396 2.876 20 30 CFEDMN C#CCN1CCC(NC(=O)Nc2ccc(C3CC3)cc2)CC1 ZINC000930678104 649304782 /nfs/dbraw/zinc/30/47/82/649304782.db2.gz OLNFHKVRZOJBAN-UHFFFAOYSA-N 0 1 297.402 2.783 20 30 CFEDMN C=CC[N@@H+](C[C@@H]1CC[C@@H](C(F)(F)F)O1)[C@H](C)COC ZINC000930930424 649352016 /nfs/dbraw/zinc/35/20/16/649352016.db2.gz HJJJOFQSHRIICF-WOPDTQHZSA-N 0 1 281.318 2.619 20 30 CFEDMN C=CC[N@H+](C[C@H](C)C(=O)c1ccc([O-])cc1)[C@H](C)COC ZINC000930932395 649352954 /nfs/dbraw/zinc/35/29/54/649352954.db2.gz KCQCSHLOQOUIPI-UONOGXRCSA-N 0 1 291.391 2.734 20 30 CFEDMN C=CC[N@@H+](C[C@H](C)C(=O)c1ccc([O-])cc1)[C@H](C)COC ZINC000930932395 649352958 /nfs/dbraw/zinc/35/29/58/649352958.db2.gz KCQCSHLOQOUIPI-UONOGXRCSA-N 0 1 291.391 2.734 20 30 CFEDMN C[C@@H]1CCN(Cc2cc(Cl)cc(C#N)c2)C[C@H]1CO ZINC000931101104 649379683 /nfs/dbraw/zinc/37/96/83/649379683.db2.gz VGLYPFCKHCPICI-RISCZKNCSA-N 0 1 278.783 2.662 20 30 CFEDMN C#CC1(O)CCN([C@@H](CC)c2ccc(F)cc2F)CC1 ZINC000931143765 649386177 /nfs/dbraw/zinc/38/61/77/649386177.db2.gz MOKFBFKCIZERFN-HNNXBMFYSA-N 0 1 279.330 2.876 20 30 CFEDMN C#CC1(O)CCN(Cc2cc(-c3ccc(C)cc3)no2)CC1 ZINC000931142565 649386444 /nfs/dbraw/zinc/38/64/44/649386444.db2.gz QUHKOJUAVWWYAD-UHFFFAOYSA-N 0 1 296.370 2.610 20 30 CFEDMN COC(=O)[C@@H]1CCCC[C@@H]1CN(C)[C@@H]1CCC[C@@H]1C#N ZINC000931474825 649437115 /nfs/dbraw/zinc/43/71/15/649437115.db2.gz IRTFWAWRFIOMJT-KBUPBQIOSA-N 0 1 278.396 2.590 20 30 CFEDMN Cn1ccc([C@H]2CCCN(CC#Cc3ccccc3)C2)n1 ZINC000932136362 649547599 /nfs/dbraw/zinc/54/75/99/649547599.db2.gz MACMNBQUBHDTMQ-KRWDZBQOSA-N 0 1 279.387 2.651 20 30 CFEDMN Cn1ccc([C@H]2CCCN(Cc3cc(C#N)ccc3F)C2)n1 ZINC000932139477 649548920 /nfs/dbraw/zinc/54/89/20/649548920.db2.gz NZGQQEMVGMHQMG-AWEZNQCLSA-N 0 1 298.365 2.810 20 30 CFEDMN Cn1nccc1[C@@H]1CCCN1CCOc1cccc(C#N)c1 ZINC000932268853 649572417 /nfs/dbraw/zinc/57/24/17/649572417.db2.gz FVRJZUUMULVTEQ-KRWDZBQOSA-N 0 1 296.374 2.508 20 30 CFEDMN C=C(C)CN(CC)C(=O)CN[C@@H](c1ccccn1)C1CC1 ZINC000932375133 649587019 /nfs/dbraw/zinc/58/70/19/649587019.db2.gz JZDLUDGVPSNXIM-QGZVFWFLSA-N 0 1 287.407 2.547 20 30 CFEDMN C[C@H]1[C@H](NC(=O)Nc2ccc(C3CC3)c(C#N)c2)CC[N@H+]1C ZINC000932423291 649596846 /nfs/dbraw/zinc/59/68/46/649596846.db2.gz QWNICEADZPEBJO-MEDUHNTESA-N 0 1 298.390 2.650 20 30 CFEDMN N#CCCc1ccc(NC(=O)NCCN2CC=CCC2)cc1 ZINC000932567432 649620407 /nfs/dbraw/zinc/62/04/07/649620407.db2.gz KGSMWPJRASHIPF-UHFFFAOYSA-N 0 1 298.390 2.526 20 30 CFEDMN C#CCCCCCCN1CCc2c(ncn2CC)C1 ZINC000933257226 649682764 /nfs/dbraw/zinc/68/27/64/649682764.db2.gz UFSRFNUQMCYZOT-UHFFFAOYSA-N 0 1 259.397 2.845 20 30 CFEDMN C#CCC1(NCc2csc(NC(C)=O)n2)CCCCC1 ZINC000933267949 649684442 /nfs/dbraw/zinc/68/44/42/649684442.db2.gz PMNSBORDQJFUSQ-UHFFFAOYSA-N 0 1 291.420 2.917 20 30 CFEDMN C#CCC1([NH2+]Cc2cc(F)cc(C(C)=O)c2[O-])CCC1 ZINC000933299193 649685795 /nfs/dbraw/zinc/68/57/95/649685795.db2.gz QNDIGBQOIIZGJD-UHFFFAOYSA-N 0 1 275.323 2.770 20 30 CFEDMN C#CCN(Cc1n[nH]c(C)n1)[C@@H]1CCCc2ccccc21 ZINC000933420684 649692700 /nfs/dbraw/zinc/69/27/00/649692700.db2.gz PWNALUQQUQVZBB-MRXNPFEDSA-N 0 1 280.375 2.626 20 30 CFEDMN CC(C)CCN1CCO[C@@H](c2ccc(C#N)cc2)C1 ZINC000933625136 649707609 /nfs/dbraw/zinc/70/76/09/649707609.db2.gz NGQVBINSSQWOLF-MRXNPFEDSA-N 0 1 258.365 2.978 20 30 CFEDMN CN(Cc1cc(C#N)cs1)C[C@H](O)c1ccccc1 ZINC000933771231 649720636 /nfs/dbraw/zinc/72/06/36/649720636.db2.gz QSCWYRNMILAVSC-HNNXBMFYSA-N 0 1 272.373 2.785 20 30 CFEDMN COC(=O)C(C)(C)CCN(C)Cc1cc(C#N)cs1 ZINC000933771785 649720771 /nfs/dbraw/zinc/72/07/71/649720771.db2.gz IPRDRDKBJRMOCE-UHFFFAOYSA-N 0 1 280.393 2.641 20 30 CFEDMN C=C[C@@H](CC)CC(=O)NCc1nc2ccc(F)cc2[nH]1 ZINC000933825081 649723570 /nfs/dbraw/zinc/72/35/70/649723570.db2.gz JURWOQNWWKPEJM-JTQLQIEISA-N 0 1 275.327 2.921 20 30 CFEDMN CO[C@H]1CC[C@@H]1N(C)CC#Cc1ccc(Cl)cc1 ZINC000934103491 649748936 /nfs/dbraw/zinc/74/89/36/649748936.db2.gz BHRNOZBBQKNLNZ-GJZGRUSLSA-N 0 1 263.768 2.801 20 30 CFEDMN C=C(C)CN(CC)C(=O)[C@H](C)N[C@H](C)c1cncs1 ZINC000934202198 649759968 /nfs/dbraw/zinc/75/99/68/649759968.db2.gz PPPLEZOMRQMPHB-NEPJUHHUSA-N 0 1 281.425 2.607 20 30 CFEDMN C=CC[C@H]1CCN1CC(=O)N[C@@H](C)Cc1ccccc1C ZINC000934468292 649789692 /nfs/dbraw/zinc/78/96/92/649789692.db2.gz BCPAFKUWEGNOMW-RDJZCZTQSA-N 0 1 286.419 2.693 20 30 CFEDMN C=CC[C@H]1CCN1[C@H](C)C(=O)NCc1ccccc1C ZINC000934470680 649790220 /nfs/dbraw/zinc/79/02/20/649790220.db2.gz DUXNFCYYKUEUKD-ZBFHGGJFSA-N 0 1 272.392 2.650 20 30 CFEDMN C=CC[C@@H]1CCN1[C@H](C)C(=O)NCc1ccc(C)cc1 ZINC000934471188 649790396 /nfs/dbraw/zinc/79/03/96/649790396.db2.gz IBOLJRCFSIEHEW-GDBMZVCRSA-N 0 1 272.392 2.650 20 30 CFEDMN C=CC[C@@H]1CCN1CC(=O)N[C@H](C)c1ccccc1OC ZINC000934470051 649790611 /nfs/dbraw/zinc/79/06/11/649790611.db2.gz CAIUFBGJOSGPMH-ZIAGYGMSSA-N 0 1 288.391 2.523 20 30 CFEDMN C=CC[C@H]1CCN1CC(=O)N(C)Cc1ccccc1C ZINC000934472899 649791889 /nfs/dbraw/zinc/79/18/89/649791889.db2.gz RCFISXRITOUGKH-INIZCTEOSA-N 0 1 272.392 2.604 20 30 CFEDMN CC(N=Nc1ccccn1)c1cccc([N+](=O)[O-])c1 ZINC000254444625 651089482 /nfs/dbraw/zinc/08/94/82/651089482.db2.gz LBZOUGFXGZKSJT-UHFFFAOYSA-N 0 1 256.265 2.826 20 30 CFEDMN C=CCN1CCC[C@H](NC(=O)C2=CCCCCC2)C1 ZINC001007200237 651096729 /nfs/dbraw/zinc/09/67/29/651096729.db2.gz QATUCAPIHQJGAK-HNNXBMFYSA-N 0 1 262.397 2.644 20 30 CFEDMN C=C(C)CN1CCC[C@@H](NC(=O)c2cc(C)c(C)o2)C1 ZINC001007111878 651131982 /nfs/dbraw/zinc/13/19/82/651131982.db2.gz LHZAQEFJFVGSPA-CQSZACIVSA-N 0 1 276.380 2.667 20 30 CFEDMN C=CCN1CCC[C@H](NC(=O)c2cccc(C)c2F)C1 ZINC001007392129 651134237 /nfs/dbraw/zinc/13/42/37/651134237.db2.gz RZSMFGVZHJGYHN-ZDUSSCGKSA-N 0 1 276.355 2.514 20 30 CFEDMN C=C(C)CN1CCC[C@H](NC(=O)c2nc(C)sc2C)C1 ZINC001007597140 651137517 /nfs/dbraw/zinc/13/75/17/651137517.db2.gz PORYUNAEKCDBAQ-ZDUSSCGKSA-N 0 1 293.436 2.530 20 30 CFEDMN C=C(C)CN1CCC[C@@H](NC(=O)c2ccc(CC)o2)C1 ZINC001007666549 651138015 /nfs/dbraw/zinc/13/80/15/651138015.db2.gz RQCDRNNPTWCXNM-CYBMUJFWSA-N 0 1 276.380 2.612 20 30 CFEDMN C=CCN1CCC[C@@H](NC(=O)c2cccc(C(C)C)n2)C1 ZINC001007802846 651139297 /nfs/dbraw/zinc/13/92/97/651139297.db2.gz BRFPRPHNXKBIBS-CQSZACIVSA-N 0 1 287.407 2.585 20 30 CFEDMN C#Cc1ccc(C(=O)N[C@@H]2CCCN(CC=C(C)C)C2)cc1 ZINC001008149503 651142775 /nfs/dbraw/zinc/14/27/75/651142775.db2.gz QPKUHCSYUIHNGS-GOSISDBHSA-N 0 1 296.414 2.828 20 30 CFEDMN C=CCN1CCC[C@H](NC(=O)C2(C)CCCCC2)C1 ZINC001008407022 651147603 /nfs/dbraw/zinc/14/76/03/651147603.db2.gz PQZJFKMOBKJZIQ-AWEZNQCLSA-N 0 1 264.413 2.723 20 30 CFEDMN C=C(C)CN1CCC[C@@H](NC(=O)c2occc2Cl)C1 ZINC001008414436 651147763 /nfs/dbraw/zinc/14/77/63/651147763.db2.gz AIPMHUSXBHXMSR-LLVKDONJSA-N 0 1 282.771 2.703 20 30 CFEDMN C=CCN1CCC[C@@H](NC(=O)[C@H](C)c2cccc(C)c2)C1 ZINC001008691588 651152827 /nfs/dbraw/zinc/15/28/27/651152827.db2.gz YUHYZHKUNWHBBI-NVXWUHKLSA-N 0 1 286.419 2.865 20 30 CFEDMN C=CCN1CCC[C@H](NC(=O)c2cccc(C)c2C)C1 ZINC001009392511 651160001 /nfs/dbraw/zinc/16/00/01/651160001.db2.gz NRFBMABVJMGMSO-HNNXBMFYSA-N 0 1 272.392 2.684 20 30 CFEDMN C=CCN1CCC[C@@H](NC(=O)c2ccc(C)c(C)c2)C1 ZINC001009403617 651160159 /nfs/dbraw/zinc/16/01/59/651160159.db2.gz SNXZJXFQAHAEJL-MRXNPFEDSA-N 0 1 272.392 2.684 20 30 CFEDMN C=CCN1CCC[C@@H](NC(=O)[C@H]2CCCC(C)(C)C2)C1 ZINC001009670752 651163630 /nfs/dbraw/zinc/16/36/30/651163630.db2.gz ZTAKMJJNCPJBDE-LSDHHAIUSA-N 0 1 278.440 2.969 20 30 CFEDMN C=C(C)CN1CCC[C@@H](NC(=O)c2c(C)cccc2F)C1 ZINC001009737485 651164455 /nfs/dbraw/zinc/16/44/55/651164455.db2.gz SOEUSCVTHIYQSF-CQSZACIVSA-N 0 1 290.382 2.904 20 30 CFEDMN C=C(C)CN1CC[C@@H](NC(=O)c2ccc(Cl)cc2F)C1 ZINC001015167214 651196728 /nfs/dbraw/zinc/19/67/28/651196728.db2.gz WXZVWUWWXRTGJB-GFCCVEGCSA-N 0 1 296.773 2.859 20 30 CFEDMN C=CCN1CC[C@@H](NC(=O)Cc2ccc(C(F)F)cc2)C1 ZINC001015246599 651198085 /nfs/dbraw/zinc/19/80/85/651198085.db2.gz LPAJNSIORQNBPB-CQSZACIVSA-N 0 1 294.345 2.543 20 30 CFEDMN C=C(C)CN1CC[C@H](NC(=O)c2occc2C(C)C)C1 ZINC001015595821 651205257 /nfs/dbraw/zinc/20/52/57/651205257.db2.gz JNGHHJHGGWGRIX-ZDUSSCGKSA-N 0 1 276.380 2.783 20 30 CFEDMN C=CCN1CC[C@H](NC(=O)[C@@]2(C)CCCc3ccccc32)C1 ZINC001015856736 651216628 /nfs/dbraw/zinc/21/66/28/651216628.db2.gz XJSYPHGJELIWLN-LPHOPBHVSA-N 0 1 298.430 2.657 20 30 CFEDMN C=CCN1CC[C@@H](NC(=O)c2ccc(C)c(C)c2Cl)C1 ZINC001015995398 651220411 /nfs/dbraw/zinc/22/04/11/651220411.db2.gz UEQQWGJSECUGAX-CYBMUJFWSA-N 0 1 292.810 2.947 20 30 CFEDMN C=C(C)CN1CC[C@@H](NC(=O)c2cc3c(s2)CCC3)C1 ZINC001016174666 651227535 /nfs/dbraw/zinc/22/75/35/651227535.db2.gz RCZZYKOHIZJLJG-CYBMUJFWSA-N 0 1 290.432 2.617 20 30 CFEDMN C#CCCN1CC[C@H](NC(=O)c2cc3cccc(C)c3o2)C1 ZINC001016344339 651230728 /nfs/dbraw/zinc/23/07/28/651230728.db2.gz RBCLIQNUNMASHQ-HNNXBMFYSA-N 0 1 296.370 2.569 20 30 CFEDMN C=CCN1CC[C@H](NC(=O)C2(c3ccc(C)cc3)CCC2)C1 ZINC001016370354 651231895 /nfs/dbraw/zinc/23/18/95/651231895.db2.gz COLFNIJPDBLJPK-KRWDZBQOSA-N 0 1 298.430 2.793 20 30 CFEDMN C=C(C)CN1CC[C@@H](NC(=O)c2ccoc2C(C)C)C1 ZINC001016377466 651232891 /nfs/dbraw/zinc/23/28/91/651232891.db2.gz CYEOLMWGIHEGOX-CYBMUJFWSA-N 0 1 276.380 2.783 20 30 CFEDMN C=CCN1CC[C@@H](NC(=O)C[C@@H]2CCCCC2(C)C)C1 ZINC001016425823 651233492 /nfs/dbraw/zinc/23/34/92/651233492.db2.gz ALUHIRCVXQHZPM-LSDHHAIUSA-N 0 1 278.440 2.969 20 30 CFEDMN C=CCN1CC[C@H](NC(=O)[C@@]2(C)CCc3ccccc3C2)C1 ZINC001016447515 651234262 /nfs/dbraw/zinc/23/42/62/651234262.db2.gz NITUKANVZRNLQV-HKUYNNGSSA-N 0 1 298.430 2.558 20 30 CFEDMN C#CCCN1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1CCCC[C@@H]1C ZINC001017860985 651259407 /nfs/dbraw/zinc/25/94/07/651259407.db2.gz MIJJKOPHMBXSNP-MWDXBVQZSA-N 0 1 288.435 2.511 20 30 CFEDMN C#CCCN1C[C@H]2CC[C@@H](C1)N2C(=O)c1ccccc1CC ZINC001017861613 651259418 /nfs/dbraw/zinc/25/94/18/651259418.db2.gz XLQUTWNWCKHDAX-CALCHBBNSA-N 0 1 296.414 2.561 20 30 CFEDMN C=CCCN1C[C@H]2CC[C@@H](C1)N2C(=O)c1cc[nH]c1C1CC1 ZINC001017858147 651259610 /nfs/dbraw/zinc/25/96/10/651259610.db2.gz ZYYPMTGIZWVFIU-GASCZTMLSA-N 0 1 299.418 2.757 20 30 CFEDMN C=C(Cl)CN[C@H]1CCN(C(=O)C=C2CCCCC2)C1 ZINC001018590786 651273859 /nfs/dbraw/zinc/27/38/59/651273859.db2.gz IFXOFABRMQLKEH-AWEZNQCLSA-N 0 1 282.815 2.820 20 30 CFEDMN C=C(Cl)CN[C@H]1CCN(C(=O)C(C)(C)C(F)(F)F)C1 ZINC001019687757 651289482 /nfs/dbraw/zinc/28/94/82/651289482.db2.gz KVUGVCGONWYUKL-VIFPVBQESA-N 0 1 298.736 2.518 20 30 CFEDMN C=C(Cl)CN[C@H]1CCN(C(=O)c2ccc(F)cc2C)C1 ZINC001019685389 651289507 /nfs/dbraw/zinc/28/95/07/651289507.db2.gz AKVZHBLEQPQTLJ-ZDUSSCGKSA-N 0 1 296.773 2.691 20 30 CFEDMN C=C(Cl)CN[C@H]1CCN(C(=O)c2cc(C)c(C)s2)C1 ZINC001019750478 651290900 /nfs/dbraw/zinc/29/09/00/651290900.db2.gz NWXCQASJGOTAJY-LBPRGKRZSA-N 0 1 298.839 2.922 20 30 CFEDMN CC(C)c1ccc(C#N)c(N2C[C@H](C)N(C)C[C@H]2C)n1 ZINC001164631753 719160369 /nfs/dbraw/zinc/16/03/69/719160369.db2.gz BWNXXXLYBYFIMA-QWHCGFSZSA-N 0 1 272.396 2.605 20 30 CFEDMN CC(C)c1ccc(C#N)c(N2C[C@@H](C)N(C)C[C@@H]2C)n1 ZINC001164631728 719161012 /nfs/dbraw/zinc/16/10/12/719161012.db2.gz BWNXXXLYBYFIMA-OLZOCXBDSA-N 0 1 272.396 2.605 20 30 CFEDMN C=C(C)CN1CC[C@H]1CN(C)C(=O)c1ccc(C)cc1 ZINC001085940190 782209781 /nfs/dbraw/zinc/20/97/81/782209781.db2.gz ASGAXYOAPRSTSB-INIZCTEOSA-N 0 1 272.392 2.717 20 30 CFEDMN C#CCCN1CC[C@@H]1CN(C)C(=O)c1ccc(C(C)C)cc1 ZINC001085942968 782211793 /nfs/dbraw/zinc/21/17/93/782211793.db2.gz VVBSDSNZABWSRG-GOSISDBHSA-N 0 1 298.430 2.980 20 30 CFEDMN C=C(C)CN1CC[C@H]1CN(C)C(=O)c1cc2ccccc2[nH]1 ZINC001085961374 782220281 /nfs/dbraw/zinc/22/02/81/782220281.db2.gz DVRMIWSYGVJCID-HNNXBMFYSA-N 0 1 297.402 2.890 20 30 CFEDMN C=C(C)CN1CC[C@H]1CN(C)C(=O)c1cccn1C(C)C ZINC001085974150 782222328 /nfs/dbraw/zinc/22/23/28/782222328.db2.gz NRHOWCFFXPCSHD-HNNXBMFYSA-N 0 1 289.423 2.791 20 30 CFEDMN C=C(C)CN1CC[C@@H]1CN(C)C(=O)[C@H]1CC2CCC1CC2 ZINC001085989241 782228174 /nfs/dbraw/zinc/22/81/74/782228174.db2.gz MBZLHZPJDQBHNF-BACDZXNISA-N 0 1 290.451 2.922 20 30 CFEDMN C=C(C)CCN1CC[C@@H]1CN(C)C(=O)c1ccc(F)s1 ZINC001085998422 782234819 /nfs/dbraw/zinc/23/48/19/782234819.db2.gz YRROBBZAWWYOOZ-GFCCVEGCSA-N 0 1 296.411 3.000 20 30 CFEDMN Cc1ccnc(F)c1-c1nccc2[nH]cc(C#N)c21 ZINC001243550907 782273730 /nfs/dbraw/zinc/27/37/30/782273730.db2.gz KATZMWNWBZGAFR-UHFFFAOYSA-N 0 1 252.252 2.944 20 30 CFEDMN N#Cc1c[nH]c2nc(-c3ccc(Cl)c(O)c3)ncc12 ZINC001243579758 782289076 /nfs/dbraw/zinc/28/90/76/782289076.db2.gz ZARPFRLIDFRQKO-UHFFFAOYSA-N 0 1 270.679 2.856 20 30 CFEDMN CN1CC=C(c2ncc(C(F)(F)F)cc2C#N)CC1 ZINC001241307647 782285894 /nfs/dbraw/zinc/28/58/94/782285894.db2.gz DKDZYRWPMULZLR-UHFFFAOYSA-N 0 1 267.254 2.691 20 30 CFEDMN C=CCCCCCCCCN1CCN(C(N)=O)CC1 ZINC001209444039 770094329 /nfs/dbraw/zinc/09/43/29/770094329.db2.gz LKQLHMCTGINBNQ-UHFFFAOYSA-N 0 1 267.417 2.599 20 30 CFEDMN C#CCN1CCC[C@@H]1CNC(=O)[C@H](C)CCC(C)(C)C ZINC001266488908 770203302 /nfs/dbraw/zinc/20/33/02/770203302.db2.gz RXTLLCWTUHVWFW-HUUCEWRRSA-N 0 1 278.440 2.663 20 30 CFEDMN C=C(Cl)CNCCN(C)C(=O)C[C@@H]1CC=CCC1 ZINC001266803852 770627066 /nfs/dbraw/zinc/62/70/66/770627066.db2.gz UJDCMFFBRFNRKL-CYBMUJFWSA-N 0 1 270.804 2.533 20 30 CFEDMN C=CCN1CCCO[C@@H](CNC(=O)[C@@H](CC)CCCC)C1 ZINC001149262346 770823119 /nfs/dbraw/zinc/82/31/19/770823119.db2.gz FSPWEXNQMIZEOF-HOTGVXAUSA-N 0 1 296.455 2.596 20 30 CFEDMN C=CC[C@H](C=C)Oc1[nH]c(=O)nc2cccc(OC)c21 ZINC001229241511 776762245 /nfs/dbraw/zinc/76/22/45/776762245.db2.gz IGNKKMVTVAYYBL-JTQLQIEISA-N 0 1 272.304 2.854 20 30 CFEDMN CSCCN(C)Cc1ccc(N(C)C)c(C#N)c1F ZINC001233103146 777796663 /nfs/dbraw/zinc/79/66/63/777796663.db2.gz YBORCNCGUMCOOU-UHFFFAOYSA-N 0 1 281.400 2.558 20 30 CFEDMN C#CCN(C)Cc1cc(Br)cc(OC)c1 ZINC001233215729 777830389 /nfs/dbraw/zinc/83/03/89/777830389.db2.gz UDRQMLGNRXHXRJ-UHFFFAOYSA-N 0 1 268.154 2.523 20 30 CFEDMN C=CCN1CC[C@H](N(C)C(=O)[C@@H]2CCC(C)(C)C2)C1 ZINC001033393479 780670563 /nfs/dbraw/zinc/67/05/63/780670563.db2.gz JIXQUGBRDPESBA-KGLIPLIRSA-N 0 1 264.413 2.531 20 30 CFEDMN C#CCC[N@@H+]1CC[C@@H](N(CC)C(=O)[C@@H]2C[C@H]2C(C)(C)C)C1 ZINC001033896250 780819467 /nfs/dbraw/zinc/81/94/67/780819467.db2.gz GZOZRHYHXSYWEM-BZUAXINKSA-N 0 1 290.451 2.615 20 30 CFEDMN C=CC[N@@H+]1CC[C@@H](N(CC)C(=O)c2ccn3ccccc23)C1 ZINC001033894412 780821047 /nfs/dbraw/zinc/82/10/47/780821047.db2.gz HBVLNTCJZGATDO-OAHLLOKOSA-N 0 1 297.402 2.662 20 30 CFEDMN C=CCN1CC[C@@H](N(CC)C(=O)c2ccn3ccccc23)C1 ZINC001033894412 780821054 /nfs/dbraw/zinc/82/10/54/780821054.db2.gz HBVLNTCJZGATDO-OAHLLOKOSA-N 0 1 297.402 2.662 20 30 CFEDMN C=CCN1CC[C@H](N(CC)C(=O)c2cc(C)c(CC)o2)C1 ZINC001034012934 780855786 /nfs/dbraw/zinc/85/57/86/780855786.db2.gz XHTQGHKYPGZFPL-AWEZNQCLSA-N 0 1 290.407 2.873 20 30 CFEDMN C=CCN1CCC[C@@H](NC(=O)[C@H](CC)CC(C)C)C1 ZINC001266246013 769825258 /nfs/dbraw/zinc/82/52/58/769825258.db2.gz JGIFTPVIZZCHBO-HUUCEWRRSA-N 0 1 266.429 2.825 20 30 CFEDMN CC(C)(C)OC(=O)N1CC[C@@H]1CN1CCC[C@H](CC#N)C1 ZINC001208995575 769970124 /nfs/dbraw/zinc/97/01/24/769970124.db2.gz VOYPXFKFZDLNSA-ZIAGYGMSSA-N 0 1 293.411 2.621 20 30 CFEDMN C=CCN(CCN1CC(c2ccccc2)C1)C(=O)OCC ZINC001209021799 769975876 /nfs/dbraw/zinc/97/58/76/769975876.db2.gz FHJSJGVYVOBTOK-UHFFFAOYSA-N 0 1 288.391 2.730 20 30 CFEDMN C=C(C)CN1CC[C@H](NC(=O)C2(CCCC)CC2)C1 ZINC001266339482 769983285 /nfs/dbraw/zinc/98/32/85/769983285.db2.gz RCDHIDXGYABUQT-AWEZNQCLSA-N 0 1 264.413 2.723 20 30 CFEDMN C=CC[C@H](C(=O)N[C@@H]1CCN(CC=C)C1)c1ccccc1 ZINC001266360793 770021059 /nfs/dbraw/zinc/02/10/59/770021059.db2.gz CDUNDEOTCUWIPA-SJORKVTESA-N 0 1 284.403 2.723 20 30 CFEDMN C#CCN1CCC(N(CCC)C(=O)Cc2ccccc2)CC1 ZINC001266388524 770062642 /nfs/dbraw/zinc/06/26/42/770062642.db2.gz HARSRFAPRWEYRG-UHFFFAOYSA-N 0 1 298.430 2.565 20 30 CFEDMN CC#CCN(CC)CCNC(=O)c1cccc2c1CCCC2 ZINC001266392068 770067693 /nfs/dbraw/zinc/06/76/93/770067693.db2.gz BBCOHSSFRVEDEA-UHFFFAOYSA-N 0 1 298.430 2.640 20 30 CFEDMN C=C(Cl)CN[C@H](CNC(=O)C[C@H]1C=CCC1)C1CC1 ZINC001266395868 770073316 /nfs/dbraw/zinc/07/33/16/770073316.db2.gz WRAXVYSKLYKDSA-GXTWGEPZSA-N 0 1 282.815 2.580 20 30 CFEDMN CCCCN(CC#N)c1cc(Cl)nc2c1CCNC2 ZINC001167132822 770078862 /nfs/dbraw/zinc/07/88/62/770078862.db2.gz VJEHUUBECQAJHC-UHFFFAOYSA-N 0 1 278.787 2.511 20 30 CFEDMN C=CCCCCCN1CC(N2C[C@@H](C)O[C@@H](C)C2)C1 ZINC001209431479 770084085 /nfs/dbraw/zinc/08/40/85/770084085.db2.gz PDZPDZBIRQJLCN-GASCZTMLSA-N 0 1 266.429 2.526 20 30 CFEDMN COCC#CC[N@H+](CCCCOC)Cc1ccccc1 ZINC001167186522 770131728 /nfs/dbraw/zinc/13/17/28/770131728.db2.gz FPFNQNZXHMXZQZ-UHFFFAOYSA-N 0 1 275.392 2.565 20 30 CFEDMN C=CCCC(=O)NC[C@H]1CCCN1Cc1cccc(C#N)c1 ZINC001266449584 770167172 /nfs/dbraw/zinc/16/71/72/770167172.db2.gz AKGMFUCBCJCLEH-QGZVFWFLSA-N 0 1 297.402 2.605 20 30 CFEDMN Cc1cc(N)ncc1Nc1cc(Cl)cnc1C#N ZINC001209966036 770176198 /nfs/dbraw/zinc/17/61/98/770176198.db2.gz PITUVYWKKGMDJL-UHFFFAOYSA-N 0 1 259.700 2.636 20 30 CFEDMN C=CCN1C[C@@H](C)[C@H](NC(=O)[C@H](F)CCCCCC)C1 ZINC001210306815 770259478 /nfs/dbraw/zinc/25/94/78/770259478.db2.gz BKVHYLXOLAAEBE-RBSFLKMASA-N 0 1 284.419 2.917 20 30 CFEDMN C=CCC(C)(C)C(=O)NCCCNCc1csc(C)n1 ZINC001167366140 770375548 /nfs/dbraw/zinc/37/55/48/770375548.db2.gz XMLSHVOHELPZIQ-UHFFFAOYSA-N 0 1 295.452 2.650 20 30 CFEDMN C=CCN1CC[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1CC=CCC1 ZINC001039340274 770509162 /nfs/dbraw/zinc/50/91/62/770509162.db2.gz RFXKHWZFTBMXGX-XHSDSOJGSA-N 0 1 274.408 2.594 20 30 CFEDMN Oc1c(Cl)cc(Cl)cc1/C=N\CCCn1ccnn1 ZINC000588425166 770623013 /nfs/dbraw/zinc/62/30/13/770623013.db2.gz UVKHNYXIOVFNCW-NVNXTCNLSA-N 0 1 299.161 2.800 20 30 CFEDMN CC(C)(C#N)C(=O)N1CCC(c2n[nH]c3ccccc32)CC1 ZINC001143399095 770654632 /nfs/dbraw/zinc/65/46/32/770654632.db2.gz HMJRNLLPEFGUNH-UHFFFAOYSA-N 0 1 296.374 2.819 20 30 CFEDMN C#CCCCC(=O)N[C@@H](C)[C@H]1CCCN(CC(=C)Cl)C1 ZINC001266893405 770719204 /nfs/dbraw/zinc/71/92/04/770719204.db2.gz QQFKPRUIHLCZIQ-GJZGRUSLSA-N 0 1 296.842 2.759 20 30 CFEDMN C=CCCC(=O)NC1CCC(NCc2cscn2)CC1 ZINC001266910295 770737613 /nfs/dbraw/zinc/73/76/13/770737613.db2.gz YCPIDXUJPDUYHP-UHFFFAOYSA-N 0 1 293.436 2.626 20 30 CFEDMN C=CCC(C)(C)C(=O)N1CC[C@H](NCC(=C)Cl)C1 ZINC001267020660 770821102 /nfs/dbraw/zinc/82/11/02/770821102.db2.gz IVXBQQGHUNAIMN-LBPRGKRZSA-N 0 1 270.804 2.532 20 30 CFEDMN C=C1O[C@H](CC)C(=O)C1OCc1ccc(OCC)nc1 ZINC001224080288 775098580 /nfs/dbraw/zinc/09/85/80/775098580.db2.gz BUIIFXIEQCFPCZ-GFCCVEGCSA-N 0 1 277.320 2.606 20 30 CFEDMN C=C(C)CCN1CC[C@H]1CNC(=O)C1(F)CCCCC1 ZINC001276950269 775111221 /nfs/dbraw/zinc/11/12/21/775111221.db2.gz RFIQPTZRUUTBBF-AWEZNQCLSA-N 0 1 282.403 2.816 20 30 CFEDMN CC[C@@H]1OC(C)=C(OCc2ccc(C#N)cc2OC)C1=O ZINC001224191071 775126221 /nfs/dbraw/zinc/12/62/21/775126221.db2.gz FFUSEQCTAAKWRD-ZDUSSCGKSA-N 0 1 287.315 2.693 20 30 CFEDMN N#Cc1cccc(N2C[C@H]3CC[C@@H](C2)N3Cc2ccc[nH]2)c1 ZINC001276954228 775133791 /nfs/dbraw/zinc/13/37/91/775133791.db2.gz WKDSXSOPKUPVAI-HDICACEKSA-N 0 1 292.386 2.740 20 30 CFEDMN CC1=C(OCCOc2ccccc2C)C(=O)[C@H](C)O1 ZINC001224320506 775156157 /nfs/dbraw/zinc/15/61/57/775156157.db2.gz ZHNPTDTXKBNUGI-NSHDSACASA-N 0 1 262.305 2.610 20 30 CFEDMN C=C(C)[C@@H]1CC[C@H](C)C[C@H]1OCCN1CCN(C)CC1 ZINC001224549833 775217202 /nfs/dbraw/zinc/21/72/02/775217202.db2.gz PVAYBEIYMPZGJG-YESZJQIVSA-N 0 1 280.456 2.631 20 30 CFEDMN CC#CCN(CCNC(=O)C[C@H](C)CC(C)C)C1CC1 ZINC001267336664 775221564 /nfs/dbraw/zinc/22/15/64/775221564.db2.gz VUKAMMVNGNLSNU-OAHLLOKOSA-N 0 1 278.440 2.663 20 30 CFEDMN C=CCC1(C(=O)NC[C@@H]2CC[N@H+]2CC2CC2)CCCC1 ZINC001276986053 775229817 /nfs/dbraw/zinc/22/98/17/775229817.db2.gz PDLGPRDNDPDZFH-HNNXBMFYSA-N 0 1 276.424 2.723 20 30 CFEDMN C=C1O[C@@H](CC)C(=O)C1OCCCC(=O)OC(C)(C)C ZINC001224630514 775231588 /nfs/dbraw/zinc/23/15/88/775231588.db2.gz WUUJACZRXXPYSN-NSHDSACASA-N 0 1 284.352 2.734 20 30 CFEDMN C=C(C)CCC(=O)NC[C@H](NCC#CC)c1ccccc1 ZINC001267362036 775251686 /nfs/dbraw/zinc/25/16/86/775251686.db2.gz NMFLWRWWDIKBRS-KRWDZBQOSA-N 0 1 284.403 2.813 20 30 CFEDMN C=C(Cl)CNCCN(C)C(=O)[C@@H]1C[C@@H]1C1CCCC1 ZINC001267448867 775330858 /nfs/dbraw/zinc/33/08/58/775330858.db2.gz PXCCCBFPULILCH-ZIAGYGMSSA-N 0 1 284.831 2.613 20 30 CFEDMN C=CCN1CC[C@H](N(CCC)C(=O)C[C@@H](C)SC)C1 ZINC001267453281 775331308 /nfs/dbraw/zinc/33/13/08/775331308.db2.gz AVRLJPWOADAWPF-KGLIPLIRSA-N 0 1 284.469 2.627 20 30 CFEDMN C=CCN1CCCC[C@@H]1CNC(=O)[C@H]1CC2CCC1CC2 ZINC001024817447 775428863 /nfs/dbraw/zinc/42/88/63/775428863.db2.gz ANUZRVXAFPLEMD-BACDZXNISA-N 0 1 290.451 2.969 20 30 CFEDMN N#C[C@H]1CNC[C@H]1Oc1cc(Cl)cc(C(F)(F)F)c1 ZINC001218201378 775497643 /nfs/dbraw/zinc/49/76/43/775497643.db2.gz QMHXREZJEGXKSA-WRWORJQWSA-N 0 1 290.672 2.849 20 30 CFEDMN C=C(Cl)CN1CCC[C@H]([C@H](C)NC(=O)C2CC=CC2)C1 ZINC001025371914 775625963 /nfs/dbraw/zinc/62/59/63/775625963.db2.gz LISITBZZABFJOG-ZFWWWQNUSA-N 0 1 296.842 2.922 20 30 CFEDMN CC#CC[C@@H](CC)Oc1nc(C(F)(F)F)cc(=O)[nH]1 ZINC001225977412 775655228 /nfs/dbraw/zinc/65/52/28/775655228.db2.gz HSZJPFUYYIDSRF-MRVPVSSYSA-N 0 1 274.242 2.772 20 30 CFEDMN N#C[C@@H](Oc1cccc2[nH]nnc21)c1ccccc1F ZINC001225991953 775660053 /nfs/dbraw/zinc/66/00/53/775660053.db2.gz KZIBJIYPWLKWKF-CYBMUJFWSA-N 0 1 268.251 2.741 20 30 CFEDMN N#Cc1cccc(C2CCN(Cc3cnco3)CC2)c1 ZINC001140932050 775664092 /nfs/dbraw/zinc/66/40/92/775664092.db2.gz YODIDJCOISQMLG-UHFFFAOYSA-N 0 1 267.332 2.926 20 30 CFEDMN C=CCN1CCC[C@@H](NC(=O)C2(CC=C)CCCC2)C1 ZINC001267620786 775704863 /nfs/dbraw/zinc/70/48/63/775704863.db2.gz HRSWXYYGFIYPFL-OAHLLOKOSA-N 0 1 276.424 2.890 20 30 CFEDMN C=CCN1CCC[C@H](NC(=O)C2(C(F)F)CCCC2)C1 ZINC001267629743 775716101 /nfs/dbraw/zinc/71/61/01/775716101.db2.gz IKTZLVLFLGBQIP-LBPRGKRZSA-N 0 1 286.366 2.579 20 30 CFEDMN C=CCC[C@@H](C)N1CC(NC(=O)CCC2CCC2)C1 ZINC001267642125 775730687 /nfs/dbraw/zinc/73/06/87/775730687.db2.gz VNKXUQZPNQLZOY-CYBMUJFWSA-N 0 1 264.413 2.722 20 30 CFEDMN C=CCC[C@@H](C)N1CC(NC(=O)CC2CC(F)(F)C2)C1 ZINC001267650349 775741091 /nfs/dbraw/zinc/74/10/91/775741091.db2.gz LYHQTZQWRNJKNI-LLVKDONJSA-N 0 1 286.366 2.577 20 30 CFEDMN C[C@@H](Oc1[nH]c(=O)nc2ccc(F)cc21)[C@H](C)S ZINC001226408365 775809456 /nfs/dbraw/zinc/80/94/56/775809456.db2.gz JFQBYQFPFOTKJY-RQJHMYQMSA-N 0 1 268.313 2.560 20 30 CFEDMN Cc1c(C#N)c(O[C@H]2CN3CCC2CC3)nc2ccccc12 ZINC001226444975 775824242 /nfs/dbraw/zinc/82/42/42/775824242.db2.gz QHPCNYNMWZBUPO-KRWDZBQOSA-N 0 1 293.370 2.888 20 30 CFEDMN C=C(Br)CNCc1cc(COC)cs1 ZINC000695510037 775858528 /nfs/dbraw/zinc/85/85/28/775858528.db2.gz NMNJZQJMIKMWBV-UHFFFAOYSA-N 0 1 276.199 2.893 20 30 CFEDMN N#Cc1cccc(O)c1O[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC001226518575 775856641 /nfs/dbraw/zinc/85/66/41/775856641.db2.gz SLJOWWMVZWOVOK-INIZCTEOSA-N 0 1 294.354 2.917 20 30 CFEDMN C=C[C@H](CC)Oc1[nH]c(=O)nc2nc(Cl)ccc21 ZINC001226556901 775873208 /nfs/dbraw/zinc/87/32/08/775873208.db2.gz TVKJYDBVOZGTLI-SSDOTTSWSA-N 0 1 265.700 2.727 20 30 CFEDMN C=C(Cl)CN[C@H](CC)CNC(=O)c1ccccc1 ZINC001267793294 775933881 /nfs/dbraw/zinc/93/38/81/775933881.db2.gz MGAVTVDNWDDAKY-CYBMUJFWSA-N 0 1 266.772 2.537 20 30 CFEDMN C[C@@H](Oc1nc2[nH]cnc2c(=S)[nH]1)c1ccccc1C#N ZINC001226786949 775964789 /nfs/dbraw/zinc/96/47/89/775964789.db2.gz ULQQXWXALKFZFX-MRVPVSSYSA-N 0 1 297.343 2.653 20 30 CFEDMN C/C=C(\C)C(=O)NC1CCN(Cc2ccc(C#N)cc2)CC1 ZINC001226810455 775972922 /nfs/dbraw/zinc/97/29/22/775972922.db2.gz SMHUEZDFSNNATK-LZWSPWQCSA-N 0 1 297.402 2.605 20 30 CFEDMN C=CCC(CC=C)Oc1n[nH]c(=O)cc1Br ZINC001226846276 775988948 /nfs/dbraw/zinc/98/89/48/775988948.db2.gz MPNQXVPBCVYGQC-UHFFFAOYSA-N 0 1 285.141 2.844 20 30 CFEDMN N#Cc1cnc2cc(NC3(C4CCOCC4)CC3)c[nH]c1-2 ZINC001167747059 776041129 /nfs/dbraw/zinc/04/11/29/776041129.db2.gz METNEMJSEWTRGF-UHFFFAOYSA-N 0 1 282.347 2.806 20 30 CFEDMN C=C[C@H](CCCCC)Oc1[nH]c(=O)nc2cnccc21 ZINC001226974209 776041978 /nfs/dbraw/zinc/04/19/78/776041978.db2.gz LLZBNTRKDZSENS-LLVKDONJSA-N 0 1 273.336 2.832 20 30 CFEDMN C=CC[C@H](C=C)Oc1[nH]c(=O)nc2ccc([N+](=O)[O-])cc21 ZINC001227096277 776094398 /nfs/dbraw/zinc/09/43/98/776094398.db2.gz NSBLNWBQJJKBRH-JTQLQIEISA-N 0 1 287.275 2.753 20 30 CFEDMN C=C1O[C@@H](C)C(=O)C1Oc1cc(F)ccc1C(=O)OCC ZINC001227146024 776114573 /nfs/dbraw/zinc/11/45/73/776114573.db2.gz YHVSHVXYTQGWNY-QMMMGPOBSA-N 0 1 294.278 2.601 20 30 CFEDMN C[C@@H](Oc1nc2ccc(C#N)cc2[nH]1)C(=O)OC(C)(C)C ZINC001227217005 776142381 /nfs/dbraw/zinc/14/23/81/776142381.db2.gz ZEJGWCVOJVFGDV-SECBINFHSA-N 0 1 287.319 2.544 20 30 CFEDMN COC1=CC[C@H](Oc2nc3ccc(C#N)cc3[nH]2)CC1 ZINC001227219530 776142478 /nfs/dbraw/zinc/14/24/78/776142478.db2.gz MCDMOKUNTMPXGU-LBPRGKRZSA-N 0 1 269.304 2.896 20 30 CFEDMN COC(=O)[C@H]1CC[C@@H](Oc2nc3ccc(C#N)cc3[nH]2)CC1 ZINC001227221155 776144389 /nfs/dbraw/zinc/14/43/89/776144389.db2.gz WBWLTUSAURJVCE-TXEJJXNPSA-N 0 1 299.330 2.545 20 30 CFEDMN C[C@@H](CC(C)(C)S)Oc1[nH]c(=O)nc2[nH]ccc21 ZINC001227274994 776168017 /nfs/dbraw/zinc/16/80/17/776168017.db2.gz RWRAPEOWMUTBPO-ZETCQYMHSA-N 0 1 267.354 2.529 20 30 CFEDMN CC[C@@H](C#Cc1ccccc1)Oc1[nH]c(=O)nc2[nH]ccc21 ZINC001227274109 776168053 /nfs/dbraw/zinc/16/80/53/776168053.db2.gz LNJZYEXYICVCDG-ZDUSSCGKSA-N 0 1 293.326 2.873 20 30 CFEDMN N#CC[C@@H]1CCCN(C[C@@H]2CC[C@@H](C(F)(F)F)O2)C1 ZINC000721383278 776258093 /nfs/dbraw/zinc/25/80/93/776258093.db2.gz ZAQQGPJJMLEKMV-SRVKXCTJSA-N 0 1 276.302 2.722 20 30 CFEDMN C#CCC1(C(=O)NC2CCN(C[C@H](F)CC)CC2)CCC1 ZINC001227754983 776281329 /nfs/dbraw/zinc/28/13/29/776281329.db2.gz VTWMCDXCHOWJSS-CQSZACIVSA-N 0 1 294.414 2.509 20 30 CFEDMN C=C[C@@H](Oc1[nH]c(=O)nc2cc[nH]c21)c1ccccc1 ZINC001227810597 776297689 /nfs/dbraw/zinc/29/76/89/776297689.db2.gz VWVBISXKSSLTAB-GFCCVEGCSA-N 0 1 267.288 2.970 20 30 CFEDMN CC#CCN1CCC(NC(=O)[C@@](C)(F)CCCC)CC1 ZINC001228075447 776386782 /nfs/dbraw/zinc/38/67/82/776386782.db2.gz QPMLSKPXIZOOEJ-INIZCTEOSA-N 0 1 282.403 2.509 20 30 CFEDMN C#CCCCCCCN1CCCC[C@@H]1C(=O)OC ZINC001167812111 776522414 /nfs/dbraw/zinc/52/24/14/776522414.db2.gz MLZFZWPGUXYPBY-CQSZACIVSA-N 0 1 251.370 2.598 20 30 CFEDMN C=C(C)CN1CCC[C@@H]1CNC(=O)c1sccc1F ZINC001027862469 776481788 /nfs/dbraw/zinc/48/17/88/776481788.db2.gz QBUSRZGRAFMCLL-LLVKDONJSA-N 0 1 282.384 2.658 20 30 CFEDMN CC#CC[C@@H](CC)Oc1nc(C2CC2)[nH]c(=O)c1[N+](=O)[O-] ZINC001228610786 776538723 /nfs/dbraw/zinc/53/87/23/776538723.db2.gz ZJBFVCFRWFXPAN-SNVBAGLBSA-N 0 1 291.307 2.539 20 30 CFEDMN C=C[C@H](C)[C@H](C)C(=O)NC1CCN(C/C=C/Cl)CC1 ZINC001228749280 776597514 /nfs/dbraw/zinc/59/75/14/776597514.db2.gz RJKARNDAFSUMTH-BVAIOKDQSA-N 0 1 284.831 2.778 20 30 CFEDMN C=C(Cl)CNC[C@@H](CC(C)C)NC(=O)CCC ZINC001268101976 776599631 /nfs/dbraw/zinc/59/96/31/776599631.db2.gz NURGBGGTQYDGDW-GFCCVEGCSA-N 0 1 260.809 2.660 20 30 CFEDMN CC1=C(OCc2ncc(C(C)(C)C)o2)C(=O)[C@H](C)O1 ZINC001223417708 776660129 /nfs/dbraw/zinc/66/01/29/776660129.db2.gz BRQBJHZHSKGBKC-QMMMGPOBSA-N 0 1 265.309 2.708 20 30 CFEDMN C=CCN1CC[C@H](c2ccccc2)[C@H](NC(=O)[C@H]2C[C@@H]2C)C1 ZINC001087434827 776661812 /nfs/dbraw/zinc/66/18/12/776661812.db2.gz GNMZAKGEFHJPAW-XOYOTBSWSA-N 0 1 298.430 2.803 20 30 CFEDMN COc1c(F)cccc1CN1CCC(S)CC1 ZINC001143530325 776663305 /nfs/dbraw/zinc/66/33/05/776663305.db2.gz QXHCVKKMGXHKIQ-UHFFFAOYSA-N 0 1 255.358 2.729 20 30 CFEDMN C=C1O[C@H](CC)C(=O)C1Oc1nnc(Cl)cc1Cl ZINC001228979585 776676000 /nfs/dbraw/zinc/67/60/00/776676000.db2.gz WDJSQMIJZUPQCN-SSDOTTSWSA-N 0 1 289.118 2.772 20 30 CFEDMN C=CCCN1CC[C@H]1CNC(=O)c1oc(CC)cc1C ZINC001038913845 776685958 /nfs/dbraw/zinc/68/59/58/776685958.db2.gz MSCSUOULQMPYTC-ZDUSSCGKSA-N 0 1 276.380 2.531 20 30 CFEDMN C#CCN(C)CCN(C)C(=O)C[C@H](CC)c1ccccc1 ZINC001268254346 776724157 /nfs/dbraw/zinc/72/41/57/776724157.db2.gz OVVZWTASUMLELY-INIZCTEOSA-N 0 1 286.419 2.594 20 30 CFEDMN COc1ccc2c(c1)nc(=O)[nH]c2OC1CCC(C#N)CC1 ZINC001229136849 776730070 /nfs/dbraw/zinc/73/00/70/776730070.db2.gz GQZHIYBRDLFGFB-UHFFFAOYSA-N 0 1 299.330 2.805 20 30 CFEDMN C=CCC[C@@H](C)N1CC(NC(=O)c2ccsc2C)C1 ZINC001268297028 776742941 /nfs/dbraw/zinc/74/29/41/776742941.db2.gz SVCROCSVYLMZHU-LLVKDONJSA-N 0 1 278.421 2.825 20 30 CFEDMN C=C(C)CN1CCC[C@H]1CNC(=O)c1ncoc1C(C)C ZINC001028250244 776751312 /nfs/dbraw/zinc/75/13/12/776751312.db2.gz VBDYAWMHKXZGNM-ZDUSSCGKSA-N 0 1 291.395 2.568 20 30 CFEDMN C=CCC(C)(C)C(=O)NC1CCN(C[C@@H](F)CC)CC1 ZINC001229376760 776794942 /nfs/dbraw/zinc/79/49/42/776794942.db2.gz IPBRUOLAXSJXAQ-ZDUSSCGKSA-N 0 1 284.419 2.917 20 30 CFEDMN C=C(C)C[C@@H](Oc1nc(C)[nH]c(=O)c1[N+](=O)[O-])C(=C)C ZINC001229379322 776795520 /nfs/dbraw/zinc/79/55/20/776795520.db2.gz UQLYHPHSLYYKJC-SNVBAGLBSA-N 0 1 279.296 2.689 20 30 CFEDMN C=CC[C@H](CCC)Oc1nc(C)[nH]c(=O)c1[N+](=O)[O-] ZINC001229381823 776796666 /nfs/dbraw/zinc/79/66/66/776796666.db2.gz PFCTYGOCTBVKKD-SECBINFHSA-N 0 1 267.285 2.522 20 30 CFEDMN C=CC[C@@H](CCC)Oc1nc(C)[nH]c(=O)c1[N+](=O)[O-] ZINC001229381829 776797091 /nfs/dbraw/zinc/79/70/91/776797091.db2.gz PFCTYGOCTBVKKD-VIFPVBQESA-N 0 1 267.285 2.522 20 30 CFEDMN CC#CCN1CCC[C@@H]1CNC(=O)c1cccc(Cl)c1 ZINC001028281149 776805428 /nfs/dbraw/zinc/80/54/28/776805428.db2.gz FMJJFOBYQSBQDW-OAHLLOKOSA-N 0 1 290.794 2.558 20 30 CFEDMN CC#CCN1CCC[C@H]1CNC(=O)c1cccc(Cl)c1 ZINC001028281148 776805498 /nfs/dbraw/zinc/80/54/98/776805498.db2.gz FMJJFOBYQSBQDW-HNNXBMFYSA-N 0 1 290.794 2.558 20 30 CFEDMN C=CC[N@@H+]1CCC[C@@H]1CNC(=O)c1cc(C)cc(C)c1 ZINC001028286633 776825189 /nfs/dbraw/zinc/82/51/89/776825189.db2.gz XDIWEKZLTUYIRI-MRXNPFEDSA-N 0 1 272.392 2.684 20 30 CFEDMN C#CCCN1CCC[C@H]1CNC(=O)c1ccc(Cl)s1 ZINC001028301031 776845258 /nfs/dbraw/zinc/84/52/58/776845258.db2.gz MOPBQVXFGOBOPK-NSHDSACASA-N 0 1 296.823 2.619 20 30 CFEDMN N#Cc1ccnnc1O[C@H](C(=O)c1ccco1)c1ccco1 ZINC001229604077 776854637 /nfs/dbraw/zinc/85/46/37/776854637.db2.gz KGDAUCANGXMSPE-AWEZNQCLSA-N 0 1 295.254 2.537 20 30 CFEDMN N#Cc1ccnnc1OC(C(=O)c1ccco1)c1ccco1 ZINC001229604077 776854646 /nfs/dbraw/zinc/85/46/46/776854646.db2.gz KGDAUCANGXMSPE-AWEZNQCLSA-N 0 1 295.254 2.537 20 30 CFEDMN C=CCN1CCC[C@@H]1CNC(=O)C12CCC(CC1)CC2 ZINC001028326006 776855059 /nfs/dbraw/zinc/85/50/59/776855059.db2.gz JADSNHQWGCKTKO-ISXOHVOVSA-N 0 1 276.424 2.723 20 30 CFEDMN C#CCN1CCC[C@H]1CNC(=O)c1ccc(CC)c(CC)c1 ZINC001028356484 776869776 /nfs/dbraw/zinc/86/97/76/776869776.db2.gz JREKWIAFMRKNOZ-SFHVURJKSA-N 0 1 298.430 2.639 20 30 CFEDMN COc1ccc2nc(O[C@@H]3CC[C@@H](C#N)C3)[nH]c2c1 ZINC001229728103 776880761 /nfs/dbraw/zinc/88/07/61/776880761.db2.gz YYBDFFNFNAUTPC-MWLCHTKSSA-N 0 1 257.293 2.643 20 30 CFEDMN C=C(Cl)CNCCN(CC)C(=O)[C@@H]1C[C@H]1C1CCC1 ZINC001268486259 776886357 /nfs/dbraw/zinc/88/63/57/776886357.db2.gz RBJCQYWUUSIFGS-UONOGXRCSA-N 0 1 284.831 2.613 20 30 CFEDMN C=C1O[C@H](CC)C(=O)C1Oc1nc2ncc(Cl)cc2o1 ZINC001229984915 776931659 /nfs/dbraw/zinc/93/16/59/776931659.db2.gz MMUMQAJVIBIBCI-MRVPVSSYSA-N 0 1 294.694 2.864 20 30 CFEDMN C=C1O[C@H](CC)C(=O)C1Oc1cc2cn[nH]c2cc1C ZINC001230224906 776959854 /nfs/dbraw/zinc/95/98/54/776959854.db2.gz CCCRTPJZCUCQCR-GFCCVEGCSA-N 0 1 272.304 2.860 20 30 CFEDMN C[N@H+]1CCC[C@H](Oc2cccc(Br)c2C#N)C1 ZINC001230321336 776979172 /nfs/dbraw/zinc/97/91/72/776979172.db2.gz KHHMIAJANICYFN-JTQLQIEISA-N 0 1 295.180 2.794 20 30 CFEDMN N#Cc1cc(Nc2cc(N)ccc2F)c(O)cc1F ZINC001211837664 776990167 /nfs/dbraw/zinc/99/01/67/776990167.db2.gz TXCKVBIMMGPJER-UHFFFAOYSA-N 0 1 261.231 2.868 20 30 CFEDMN C/C(=C\C(=O)N[C@H](C)CNCc1ccccc1C#N)C1CC1 ZINC001268639501 777005600 /nfs/dbraw/zinc/00/56/00/777005600.db2.gz LAECRPMFXYDNLS-KADHNRKRSA-N 0 1 297.402 2.509 20 30 CFEDMN C=C(C)CCC(=O)N[C@@H](C)CNCc1cc(C2CC2)no1 ZINC001268687784 777022572 /nfs/dbraw/zinc/02/25/72/777022572.db2.gz GHHHAKJGMUCKQB-LBPRGKRZSA-N 0 1 291.395 2.503 20 30 CFEDMN CCC#C[C@H](C)Oc1cc2[nH]ncc2cc1[N+](=O)[O-] ZINC001230602052 777023601 /nfs/dbraw/zinc/02/36/01/777023601.db2.gz VEPSAHHDVJCNAM-VIFPVBQESA-N 0 1 259.265 2.652 20 30 CFEDMN CC#CCN(C)C[C@H](C)NC(=O)c1cc2cc(C)ccc2[nH]1 ZINC001268741783 777041925 /nfs/dbraw/zinc/04/19/25/777041925.db2.gz YKKULFSDKWNMBE-AWEZNQCLSA-N 0 1 297.402 2.550 20 30 CFEDMN C=CCN(CCCNC(=O)[C@@H](C)CC)Cc1cccnc1 ZINC001230680856 777042610 /nfs/dbraw/zinc/04/26/10/777042610.db2.gz LHWORONZRDYOAC-HNNXBMFYSA-N 0 1 289.423 2.622 20 30 CFEDMN C=CCN(CCCNC(=O)[C@H](C)CC)Cc1cccnc1 ZINC001230680857 777042896 /nfs/dbraw/zinc/04/28/96/777042896.db2.gz LHWORONZRDYOAC-OAHLLOKOSA-N 0 1 289.423 2.622 20 30 CFEDMN CC#CCN(C)C[C@H](C)NC(=O)CC/C=C\c1ccccc1 ZINC001268745591 777043122 /nfs/dbraw/zinc/04/31/22/777043122.db2.gz FGHSGQOGKROACE-GQPJMJRUSA-N 0 1 298.430 2.940 20 30 CFEDMN CCCCCCC[N@H+]1CC[C@H]1CN(C)C(=O)COCC ZINC001230691357 777045168 /nfs/dbraw/zinc/04/51/68/777045168.db2.gz CRBOMSATAMMKFW-HNNXBMFYSA-N 0 1 284.444 2.526 20 30 CFEDMN C=C(C)CN1CC[C@H]1CN(C)C(=O)CCC(C)C ZINC001230731241 777053438 /nfs/dbraw/zinc/05/34/38/777053438.db2.gz TYICGYQCMCHTGO-AWEZNQCLSA-N 0 1 252.402 2.531 20 30 CFEDMN C#C[C@@H]1CCC[C@@H]1Oc1[nH]c(=O)nc2cc(F)ccc21 ZINC001230882999 777081242 /nfs/dbraw/zinc/08/12/42/777081242.db2.gz IKYFYTDRRXKDFW-RNCFNFMXSA-N 0 1 272.279 2.655 20 30 CFEDMN C#C[C@@H]1CCC[C@@H]1Oc1[nH]c(=O)nc2cccc(F)c21 ZINC001231074090 777133162 /nfs/dbraw/zinc/13/31/62/777133162.db2.gz KQTGBAUPXDQMGP-SKDRFNHKSA-N 0 1 272.279 2.655 20 30 CFEDMN C=CCCCCCN1CC[C@H]1CNC(=O)c1cc(C)on1 ZINC001269196900 777137148 /nfs/dbraw/zinc/13/71/48/777137148.db2.gz ZVTRYCWPQNBJSJ-AWEZNQCLSA-N 0 1 291.395 2.534 20 30 CFEDMN CCCCCCCN1CC[C@@H]1CNC(=O)c1nocc1C ZINC001269326966 777171607 /nfs/dbraw/zinc/17/16/07/777171607.db2.gz PVXHXUHLWAEXSR-CQSZACIVSA-N 0 1 293.411 2.758 20 30 CFEDMN C=C(C)CN1CC[C@@H]1CNC(=O)C[C@@H](C)c1ccco1 ZINC001269333014 777173098 /nfs/dbraw/zinc/17/30/98/777173098.db2.gz TVNRJJBKECQTFA-ZIAGYGMSSA-N 0 1 276.380 2.540 20 30 CFEDMN C=CCN1CC[C@H](N(CC)C(=O)[C@H](C)CC(F)(F)F)C1 ZINC001269338719 777174159 /nfs/dbraw/zinc/17/41/59/777174159.db2.gz GNSMMZHODRVUOZ-NEPJUHHUSA-N 0 1 292.345 2.684 20 30 CFEDMN C=CCN1CC[C@@H](N(CC)C(=O)[C@H](C)CC(F)(F)F)C1 ZINC001269338720 777174549 /nfs/dbraw/zinc/17/45/49/777174549.db2.gz GNSMMZHODRVUOZ-VXGBXAGGSA-N 0 1 292.345 2.684 20 30 CFEDMN C#C[C@H](CCCCC)Oc1nc(C)cc(O)c1[N+](=O)[O-] ZINC001231259353 777178141 /nfs/dbraw/zinc/17/81/41/777178141.db2.gz KIZMQRVAKVODSE-LLVKDONJSA-N 0 1 278.308 2.965 20 30 CFEDMN N#Cc1cc(F)cc(CN2CCC[C@H](CF)C2)c1 ZINC000711416934 777202257 /nfs/dbraw/zinc/20/22/57/777202257.db2.gz AONBCWPKISGARD-LLVKDONJSA-N 0 1 250.292 2.879 20 30 CFEDMN C[N@@H+](Cc1cccc(C#N)c1)Cc1ccc(C(=O)[O-])cc1O ZINC001231453037 777223539 /nfs/dbraw/zinc/22/35/39/777223539.db2.gz ALIDLGMZLZIFKS-UHFFFAOYSA-N 0 1 296.326 2.594 20 30 CFEDMN N#CC[C@H]1CCC[N@H+](Cc2ccc(C(=O)[O-])s2)C1 ZINC001231464995 777227930 /nfs/dbraw/zinc/22/79/30/777227930.db2.gz YLPQHDVLTLYNIF-SNVBAGLBSA-N 0 1 264.350 2.572 20 30 CFEDMN N#Cc1ccc2c(c1)CC[N@H+](Cc1c[nH]c3cnccc13)C2 ZINC001231515230 777248449 /nfs/dbraw/zinc/24/84/49/777248449.db2.gz FLXFFERSJDRHGX-UHFFFAOYSA-N 0 1 288.354 2.993 20 30 CFEDMN N#Cc1ccc2c(c1)CCN(Cc1c[nH]c3cnccc13)C2 ZINC001231515230 777248458 /nfs/dbraw/zinc/24/84/58/777248458.db2.gz FLXFFERSJDRHGX-UHFFFAOYSA-N 0 1 288.354 2.993 20 30 CFEDMN COc1cc(C#N)ccc1CN1CC2(C1)CCCC2 ZINC001231616833 777280798 /nfs/dbraw/zinc/28/07/98/777280798.db2.gz LLOIDDLHOCCNSA-UHFFFAOYSA-N 0 1 256.349 2.943 20 30 CFEDMN C#Cc1cccc(CN2CCCC[C@H]2C(=O)NCCC)c1 ZINC001231659503 777298630 /nfs/dbraw/zinc/29/86/30/777298630.db2.gz NTMZJQAWXDIKSX-KRWDZBQOSA-N 0 1 284.403 2.549 20 30 CFEDMN C#Cc1cccc(CN2CCC[C@H](NC(=O)OCC=C)C2)c1 ZINC001231664898 777302278 /nfs/dbraw/zinc/30/22/78/777302278.db2.gz YXWCOPCHJUEXDW-KRWDZBQOSA-N 0 1 298.386 2.545 20 30 CFEDMN C#CCN1CCC(C)(NC(=O)C[C@H]2CCCC[C@H]2C)CC1 ZINC001270266844 777345123 /nfs/dbraw/zinc/34/51/23/777345123.db2.gz ROBXUKOJGLHLOF-HZPDHXFCSA-N 0 1 290.451 2.807 20 30 CFEDMN C=CCOCCCC(=O)N(C)C1CN(CCC(C)(C)C)C1 ZINC001277576323 777347118 /nfs/dbraw/zinc/34/71/18/777347118.db2.gz UWFLMTSFOPODLB-UHFFFAOYSA-N 0 1 296.455 2.548 20 30 CFEDMN N#C[C@@H]1C[C@H]2CC[C@@H](C1)N2Cc1cccc2c1OCCO2 ZINC001231885931 777366627 /nfs/dbraw/zinc/36/66/27/777366627.db2.gz VQVXDXMWCWLPBT-XMQYKBBCSA-N 0 1 284.359 2.724 20 30 CFEDMN CCN1CCC[C@H](Oc2ccc(C#N)c(F)c2F)C1 ZINC001226016874 777383851 /nfs/dbraw/zinc/38/38/51/777383851.db2.gz CVUZBICQNDJKHV-NSHDSACASA-N 0 1 266.291 2.700 20 30 CFEDMN C=CCC[C@@H](C)N1CCO[C@@H](CNC(=O)CCC(C)C)C1 ZINC001270621333 777424853 /nfs/dbraw/zinc/42/48/53/777424853.db2.gz XXOQCVRTTQBCGC-CVEARBPZSA-N 0 1 296.455 2.594 20 30 CFEDMN N#Cc1ccc(CN2CCC[C@H](O)CC2)cc1Cl ZINC001232112172 777443614 /nfs/dbraw/zinc/44/36/14/777443614.db2.gz QDNUQCZIYZQMEI-ZDUSSCGKSA-N 0 1 264.756 2.558 20 30 CFEDMN N#Cc1ccc(CN2CCCC3(COC3)C2)cc1Cl ZINC001232112992 777444521 /nfs/dbraw/zinc/44/45/21/777444521.db2.gz OFPCRPNVNLUZBL-UHFFFAOYSA-N 0 1 276.767 2.824 20 30 CFEDMN N#Cc1ccc(CN2CC[C@@H]3OCC[C@@H]3C2)cc1Cl ZINC001232116560 777445332 /nfs/dbraw/zinc/44/53/32/777445332.db2.gz NKFLPKGBSBWINO-HIFRSBDPSA-N 0 1 276.767 2.822 20 30 CFEDMN C[C@]1(O)CCCN(Cc2ccc(C#N)c(Cl)c2)C1 ZINC001232115473 777445520 /nfs/dbraw/zinc/44/55/20/777445520.db2.gz QLZYJUUSAOYEBG-AWEZNQCLSA-N 0 1 264.756 2.558 20 30 CFEDMN N#Cc1ccc(CN2CCC[C@H](CCO)C2)cc1Cl ZINC001232115475 777445720 /nfs/dbraw/zinc/44/57/20/777445720.db2.gz QMFAOSVKYGYRPA-GFCCVEGCSA-N 0 1 278.783 2.806 20 30 CFEDMN C=CCCCC(=O)N(C)C1CN(CCCC(C)C)C1 ZINC001277652262 777535310 /nfs/dbraw/zinc/53/53/10/777535310.db2.gz QFDSAHPEHVTRIZ-UHFFFAOYSA-N 0 1 266.429 2.922 20 30 CFEDMN C#C[C@H]1CCCN(Cc2cc(OC)ccc2OCC)C1 ZINC001232385097 777541224 /nfs/dbraw/zinc/54/12/24/777541224.db2.gz GRJKJYMNLKIQMG-AWEZNQCLSA-N 0 1 273.376 2.939 20 30 CFEDMN C[C@@H](C#N)C(=O)N1C[C@H]2CC[C@@H](C1)N2[C@@H](C)c1ccccc1 ZINC001029242969 777548936 /nfs/dbraw/zinc/54/89/36/777548936.db2.gz PSXRTORQQFHVNZ-NXNVCVFFSA-N 0 1 297.402 2.582 20 30 CFEDMN CC(C)(O)CN(Cc1ccccc1)Cc1cc(C#N)ccn1 ZINC001232480371 777576425 /nfs/dbraw/zinc/57/64/25/777576425.db2.gz UIUNFMYZLVPEID-UHFFFAOYSA-N 0 1 295.386 2.726 20 30 CFEDMN CCOc1ccnc(CN2CCC(CC#N)CC2)c1 ZINC001232582533 777609088 /nfs/dbraw/zinc/60/90/88/777609088.db2.gz FYXBJRXMBKEXKH-UHFFFAOYSA-N 0 1 259.353 2.606 20 30 CFEDMN C=C(Cl)CNC[C@@H](C)N(C)C(=O)C[C@H](C)CC ZINC001270948213 777611622 /nfs/dbraw/zinc/61/16/22/777611622.db2.gz QHLLYPXEGPOFCX-ZYHUDNBSSA-N 0 1 260.809 2.612 20 30 CFEDMN C#CCN1CCC[C@@](C)(CNC(=O)C2(CCC)CCC2)C1 ZINC001270982678 777619738 /nfs/dbraw/zinc/61/97/38/777619738.db2.gz KJODZNPVQZBCQX-KRWDZBQOSA-N 0 1 290.451 2.808 20 30 CFEDMN COc1ccc(C[N@@H+](C)Cc2cc(C#N)ccc2[O-])cc1 ZINC001232675670 777638371 /nfs/dbraw/zinc/63/83/71/777638371.db2.gz SUOHGUXWZNNEQZ-UHFFFAOYSA-N 0 1 282.343 2.904 20 30 CFEDMN N#Cc1ccc([O-])c(C[N@H+]2CCc3ccccc3C2)c1 ZINC001232674388 777638659 /nfs/dbraw/zinc/63/86/59/777638659.db2.gz YPVLUOPZPVGAMY-UHFFFAOYSA-N 0 1 264.328 2.822 20 30 CFEDMN Cc1ncccc1C[N@H+](C)Cc1cc(C#N)ccc1[O-] ZINC001232678344 777638804 /nfs/dbraw/zinc/63/88/04/777638804.db2.gz VXCUWOHIKHMHPH-UHFFFAOYSA-N 0 1 267.332 2.599 20 30 CFEDMN N#CCN(Cc1ccccc1)Cc1cc(C#N)ccc1O ZINC001232678673 777640605 /nfs/dbraw/zinc/64/06/05/777640605.db2.gz MQAWPHOSPRVWGE-UHFFFAOYSA-N 0 1 277.327 2.790 20 30 CFEDMN CC[N@H+](Cc1cc(C#N)ccc1[O-])Cc1ccccc1O ZINC001232678858 777640715 /nfs/dbraw/zinc/64/07/15/777640715.db2.gz RLKCCOWLEQAEFD-UHFFFAOYSA-N 0 1 282.343 2.992 20 30 CFEDMN COC(C)(C)[C@@H]1CCC[N@H+]1Cc1cc(C#N)ccc1[O-] ZINC001232679798 777640964 /nfs/dbraw/zinc/64/09/64/777640964.db2.gz SFZGDQSJTUWNAN-HNNXBMFYSA-N 0 1 274.364 2.653 20 30 CFEDMN C=C(C)CN1CCC(F)(F)[C@H](CNC(=O)CCCC)C1 ZINC001271087064 777646147 /nfs/dbraw/zinc/64/61/47/777646147.db2.gz VSERYXAOJUZAGL-CYBMUJFWSA-N 0 1 288.382 2.826 20 30 CFEDMN N#Cc1ccc2c(c1)CCN(Cc1ccc(CCO)cc1)C2 ZINC001232773710 777661903 /nfs/dbraw/zinc/66/19/03/777661903.db2.gz HDAZFXGHKOSORQ-UHFFFAOYSA-N 0 1 292.382 2.651 20 30 CFEDMN CC#CCN1CC[C@H](NC(=O)[C@]23C[C@H]2CCCC3)[C@H]1CC ZINC001087714937 777686271 /nfs/dbraw/zinc/68/62/71/777686271.db2.gz LDBZLKHQDHRJPJ-KYHPRHEASA-N 0 1 288.435 2.559 20 30 CFEDMN C#Cc1ccc(C(=O)N2C[C@H]3CC[C@@H](C2)N3CC(=C)C)cc1 ZINC001029417204 777694174 /nfs/dbraw/zinc/69/41/74/777694174.db2.gz MRRVXBRUDWJYJL-HDICACEKSA-N 0 1 294.398 2.533 20 30 CFEDMN C#CCN1CC[C@H](NC(=O)[C@H](C)c2ccccc2C)[C@H]1CC ZINC001087837911 777716460 /nfs/dbraw/zinc/71/64/60/777716460.db2.gz JBKDQQQMROKWQL-BPQIPLTHSA-N 0 1 298.430 2.701 20 30 CFEDMN Cc1cc(C#N)ccc1CN(CCO)Cc1cccs1 ZINC001233080937 777791965 /nfs/dbraw/zinc/79/19/65/777791965.db2.gz HGERBIMWTOBAMR-UHFFFAOYSA-N 0 1 286.400 2.923 20 30 CFEDMN C#C[C@@H](CCCCC)Oc1[nH]c(=O)nc2[nH]ccc21 ZINC001227271138 777799649 /nfs/dbraw/zinc/79/96/49/777799649.db2.gz QSJLWKIZFCVXBS-JTQLQIEISA-N 0 1 259.309 2.624 20 30 CFEDMN N#Cc1ccc(C[N@H+]2CCC[C@@H](C(F)F)C2)c([O-])c1 ZINC001233386353 777925932 /nfs/dbraw/zinc/92/59/32/777925932.db2.gz QIUCWTSGSYPMLB-GFCCVEGCSA-N 0 1 266.291 2.741 20 30 CFEDMN N#Cc1ccc(C[N@H+]2CCC[C@H]2c2ccncc2)c([O-])c1 ZINC001233386125 777927433 /nfs/dbraw/zinc/92/74/33/777927433.db2.gz HCIWXMKRLFVIPC-INIZCTEOSA-N 0 1 279.343 2.996 20 30 CFEDMN N#Cc1ccc(C[N@H+]2CC[C@@H](c3ccncc3)C2)c([O-])c1 ZINC001233385705 777927792 /nfs/dbraw/zinc/92/77/92/777927792.db2.gz QWXUNKMYELFBMC-OAHLLOKOSA-N 0 1 279.343 2.648 20 30 CFEDMN N#Cc1ccc(C[N@H+]2CCC(=O)[C@@H]3CCCC[C@H]32)c([O-])c1 ZINC001233383418 777927916 /nfs/dbraw/zinc/92/79/16/777927916.db2.gz HJKNPOJVLDXKIJ-HUUCEWRRSA-N 0 1 284.359 2.597 20 30 CFEDMN C=CCOCCNCc1ccc(Cl)cc1[N+](=O)[O-] ZINC000302424317 777982286 /nfs/dbraw/zinc/98/22/86/777982286.db2.gz RJRRQYJWVYXHIS-UHFFFAOYSA-N 0 1 270.716 2.540 20 30 CFEDMN C[NH+](C)C1CCC(Oc2cc([O-])ccc2C#N)CC1 ZINC001228006429 777992728 /nfs/dbraw/zinc/99/27/28/777992728.db2.gz AWXBPUOLFFOTJN-UHFFFAOYSA-N 0 1 260.337 2.515 20 30 CFEDMN CC(C)(C)[NH+]1CCC(Oc2cc([O-])ccc2C#N)CC1 ZINC001228007182 777993515 /nfs/dbraw/zinc/99/35/15/777993515.db2.gz NGGDYWFHINXPRH-UHFFFAOYSA-N 0 1 274.364 2.906 20 30 CFEDMN C#CCN(Cc1ccccc1)C(=O)[C@H]1CCC[N@@H+]1C(C)C ZINC001271944401 778026499 /nfs/dbraw/zinc/02/64/99/778026499.db2.gz GSBGIPHQNJZIMI-QGZVFWFLSA-N 0 1 284.403 2.521 20 30 CFEDMN CCCCCC#CC(=O)N1CC2(CCN2C2CCCC2)C1 ZINC001271958015 778038759 /nfs/dbraw/zinc/03/87/59/778038759.db2.gz KXCJPMXYLRZUFY-UHFFFAOYSA-N 0 1 288.435 2.799 20 30 CFEDMN CC#CCN1CC[C@H](NC(=O)CC2CCCCC2)[C@H]1C ZINC001088458642 778127878 /nfs/dbraw/zinc/12/78/78/778127878.db2.gz JFFHLILLRGJTDL-ZBFHGGJFSA-N 0 1 276.424 2.559 20 30 CFEDMN C=C(Cl)CNC[C@H]1CCCN1C(=O)/C=C\C(C)(C)C ZINC001277824350 778135584 /nfs/dbraw/zinc/13/55/84/778135584.db2.gz WZISAJQASOSFGK-MEJMFZKBSA-N 0 1 284.831 2.922 20 30 CFEDMN CC#CCN1CCC[C@H](N(Cc2ccccc2)C(C)=O)C1 ZINC001029917870 778152080 /nfs/dbraw/zinc/15/20/80/778152080.db2.gz RKOZRMCEFAWFPF-SFHVURJKSA-N 0 1 284.403 2.523 20 30 CFEDMN CCC(=O)N1CCC(CN(C)Cc2ccccc2C#N)CC1 ZINC001029922634 778154359 /nfs/dbraw/zinc/15/43/59/778154359.db2.gz WHVYBUJEIYGVDI-UHFFFAOYSA-N 0 1 299.418 2.639 20 30 CFEDMN C=C1O[C@@H](C)C(=O)C1Oc1cc(F)c(F)cc1OC ZINC001234231025 778190308 /nfs/dbraw/zinc/19/03/08/778190308.db2.gz CWRGQKKFDIWPIX-LURJTMIESA-N 0 1 270.231 2.572 20 30 CFEDMN C=CC[N@@H+]1CC[C@H]1CN(C)C(=O)CCO[C@H](C)CC(C)C ZINC001234255310 778193939 /nfs/dbraw/zinc/19/39/39/778193939.db2.gz LMXNDXUZMGJEDV-CVEARBPZSA-N 0 1 296.455 2.546 20 30 CFEDMN C=CCN1CC[C@H]1CN(C)C(=O)CCO[C@H](C)CC(C)C ZINC001234255310 778193941 /nfs/dbraw/zinc/19/39/41/778193941.db2.gz LMXNDXUZMGJEDV-CVEARBPZSA-N 0 1 296.455 2.546 20 30 CFEDMN Cc1ccc2nc(CNC(=O)c3csc(C#N)c3)[nH]c2c1 ZINC001126680053 778221672 /nfs/dbraw/zinc/22/16/72/778221672.db2.gz GLWITYJVDDUMLG-UHFFFAOYSA-N 0 1 296.355 2.735 20 30 CFEDMN C=C(Cl)CN[C@H]1C[C@@H](C)N(C(=O)c2cccs2)C1 ZINC000987894606 778237010 /nfs/dbraw/zinc/23/70/10/778237010.db2.gz GPRXBEDJCMAPOZ-MNOVXSKESA-N 0 1 284.812 2.693 20 30 CFEDMN C#C[C@@H](CCCC)Oc1[nH]c(=O)nc2cccc(C#N)c21 ZINC001234514469 778241219 /nfs/dbraw/zinc/24/12/19/778241219.db2.gz WFWNYQQOXNHOCB-LBPRGKRZSA-N 0 1 281.315 2.778 20 30 CFEDMN C#C[C@H](CC(C)C)Oc1[nH]c(=O)nc2ccc(C#N)cc21 ZINC001234530962 778246019 /nfs/dbraw/zinc/24/60/19/778246019.db2.gz POXMSXQNCFOJTC-GFCCVEGCSA-N 0 1 281.315 2.634 20 30 CFEDMN C=C(C)CCC(=O)N(C)C[C@H]1CC[N@@H+]1CC[C@@H](C)F ZINC001234614983 778266708 /nfs/dbraw/zinc/26/67/08/778266708.db2.gz WRGDUZXXRQAWST-ZIAGYGMSSA-N 0 1 270.392 2.624 20 30 CFEDMN C=C[C@@H](CCCC)Oc1nc(C)[nH]c(=O)c1[N+](=O)[O-] ZINC001229379127 778300854 /nfs/dbraw/zinc/30/08/54/778300854.db2.gz RDFFWWHLECTBEA-VIFPVBQESA-N 0 1 267.285 2.522 20 30 CFEDMN CC#CCN(C)CCN(C)C(=O)c1ccc(F)c(Cl)c1 ZINC001272092329 778318803 /nfs/dbraw/zinc/31/88/03/778318803.db2.gz CHLSMAOWJYDEQB-UHFFFAOYSA-N 0 1 296.773 2.506 20 30 CFEDMN C=C1O[C@@H](C)C(=O)C1OCc1cccc(OCC)c1 ZINC001223771524 778343220 /nfs/dbraw/zinc/34/32/20/778343220.db2.gz ORQXNFAZHYSKGQ-JTQLQIEISA-N 0 1 262.305 2.821 20 30 CFEDMN CC#CCN(C)CCN(C)C(=O)c1ccccc1C1CCC1 ZINC001272158083 778363511 /nfs/dbraw/zinc/36/35/11/778363511.db2.gz AJZYUMBCUSQYSE-UHFFFAOYSA-N 0 1 298.430 2.981 20 30 CFEDMN CC(C)N1CC(Nc2cc(C#N)cc3[nH]ccc32)C1 ZINC001168317066 778428193 /nfs/dbraw/zinc/42/81/93/778428193.db2.gz FZHSODKTYYLOOA-UHFFFAOYSA-N 0 1 254.337 2.544 20 30 CFEDMN C=C1O[C@@H](C)C(=O)C1OCc1ccc(C(=O)OC)c(C)c1 ZINC001224202092 778455626 /nfs/dbraw/zinc/45/56/26/778455626.db2.gz UHEDQLFKYFNCFK-JTQLQIEISA-N 0 1 290.315 2.518 20 30 CFEDMN C=C(C)CN1CC[C@H](NC(=O)c2occ3c2CCC3)[C@H]1C ZINC001088773355 778485871 /nfs/dbraw/zinc/48/58/71/778485871.db2.gz GDTQHMPTLXVVKZ-DOMZBBRYSA-N 0 1 288.391 2.537 20 30 CFEDMN C=C(C)CN1CC[C@H](NC(=O)c2cc(C(C)C)on2)[C@H]1C ZINC001088776452 778486544 /nfs/dbraw/zinc/48/65/44/778486544.db2.gz VLVCUKAFPZPHKO-OLZOCXBDSA-N 0 1 291.395 2.567 20 30 CFEDMN C=CCN1CC[C@H](NC(=O)C2(C3CCC3)CCC2)[C@H]1C ZINC001088776166 778486725 /nfs/dbraw/zinc/48/67/25/778486725.db2.gz GSIPEPUHXXCHMG-HIFRSBDPSA-N 0 1 276.424 2.722 20 30 CFEDMN C#CCCN1CC[C@H]1CN(C)C(=O)C1(C)CCCCCC1 ZINC001235456377 778496613 /nfs/dbraw/zinc/49/66/13/778496613.db2.gz UZFCRFXEIFGLAT-INIZCTEOSA-N 0 1 290.451 2.903 20 30 CFEDMN COc1cncc(CN2CCC[C@H](C#N)CC2)c1C ZINC001235463885 778499166 /nfs/dbraw/zinc/49/91/66/778499166.db2.gz LCDZMHGGTLFUBI-ZDUSSCGKSA-N 0 1 259.353 2.524 20 30 CFEDMN CC(C)(C)C#CC(=O)NCCNCc1sccc1Cl ZINC001126893522 778525939 /nfs/dbraw/zinc/52/59/39/778525939.db2.gz QOJJFITZJCPHAF-UHFFFAOYSA-N 0 1 298.839 2.657 20 30 CFEDMN C=C(C)CN1CC[C@H](NC(=O)c2coc(C(F)F)c2)[C@H]1C ZINC001088820709 778533508 /nfs/dbraw/zinc/53/35/08/778533508.db2.gz HTGKZBQWPZZSCA-PWSUYJOCSA-N 0 1 298.333 2.986 20 30 CFEDMN C=CCN(C(=O)[C@@H]1CC2CCN1CC2)C1CCCCC1 ZINC001142632291 778535830 /nfs/dbraw/zinc/53/58/30/778535830.db2.gz IKGJWPIVNPBRQV-INIZCTEOSA-N 0 1 276.424 2.818 20 30 CFEDMN C=C(C)COc1ccccc1CN1CC[C@H](N)C(F)(F)C1 ZINC001235910815 778605874 /nfs/dbraw/zinc/60/58/74/778605874.db2.gz CTXQZEHSRFJNDJ-HNNXBMFYSA-N 0 1 296.361 2.810 20 30 CFEDMN CCCCC1CCC(C(=O)C(C#N)C(=O)NC2CC2)CC1 ZINC000129383349 778718015 /nfs/dbraw/zinc/71/80/15/778718015.db2.gz AOZMWSBWZKPCDX-PIMMBPRGSA-N 0 1 290.407 2.970 20 30 CFEDMN COc1cc(-c2cc3[nH]cnc3c(C#N)n2)cc(C)c1F ZINC001236178481 778727126 /nfs/dbraw/zinc/72/71/26/778727126.db2.gz IPJKHSBHPVZRPT-UHFFFAOYSA-N 0 1 282.278 2.953 20 30 CFEDMN C=C(C)CN1CC[C@H](NC(=O)C2(F)CCCCC2)[C@H]1C ZINC001088958275 778960882 /nfs/dbraw/zinc/96/08/82/778960882.db2.gz SUKOKLINMVLIGK-KGLIPLIRSA-N 0 1 282.403 2.814 20 30 CFEDMN C[C@@]1(F)CCCC[N@@H+](Cc2cc(C#N)ccc2[O-])C1 ZINC001232673705 778961706 /nfs/dbraw/zinc/96/17/06/778961706.db2.gz LHEPEIWBCPZJEO-OAHLLOKOSA-N 0 1 262.328 2.978 20 30 CFEDMN C#CCN1CC[C@H](NC(=O)c2cccc3ccccc32)[C@H]1C ZINC001089016472 778974344 /nfs/dbraw/zinc/97/43/44/778974344.db2.gz BQBSBLVIEVEONH-KDOFPFPSSA-N 0 1 292.382 2.666 20 30 CFEDMN CC#CCN1CC[C@H](NC(=O)c2ccc(C)c(C)c2)[C@H]1C ZINC001089018663 778974840 /nfs/dbraw/zinc/97/48/40/778974840.db2.gz UXDFPWGNIAAKIY-WBVHZDCISA-N 0 1 284.403 2.519 20 30 CFEDMN C#CCN(C)Cc1ccc(-n2ccnc2)c(Cl)c1 ZINC001236914013 778981187 /nfs/dbraw/zinc/98/11/87/778981187.db2.gz KRDCSUGMGAKBMR-UHFFFAOYSA-N 0 1 259.740 2.591 20 30 CFEDMN C=CCN1CC[C@H](NC(=O)[C@]2(C)CC=C(C)CC2)[C@H]1C ZINC001089054408 778982638 /nfs/dbraw/zinc/98/26/38/778982638.db2.gz OHJIABFGFXCLTO-HLLBOEOZSA-N 0 1 276.424 2.888 20 30 CFEDMN C#CCN1CC[C@H](NC(=O)c2ccccc2CC(C)C)[C@H]1C ZINC001089068769 778987263 /nfs/dbraw/zinc/98/72/63/778987263.db2.gz UCDDOYCYINTFHK-QAPCUYQASA-N 0 1 298.430 2.711 20 30 CFEDMN CC(C)(C)C(=O)Nc1ccc(N)nc1NCCCCC#N ZINC001168427948 779012992 /nfs/dbraw/zinc/01/29/92/779012992.db2.gz VQESJKOOLAKRDF-UHFFFAOYSA-N 0 1 289.383 2.754 20 30 CFEDMN C#Cc1ccc(C(=O)NC2CN(CCC(C)(C)C)C2)cc1 ZINC001030777399 779020525 /nfs/dbraw/zinc/02/05/25/779020525.db2.gz WRRRCSHMHIZBRH-UHFFFAOYSA-N 0 1 284.403 2.518 20 30 CFEDMN N#C[C@H]1CN(Cc2ccc3nccc(Cl)c3c2)CCC1=O ZINC001237270236 779062126 /nfs/dbraw/zinc/06/21/26/779062126.db2.gz OFYRUJNCDIRXRX-LBPRGKRZSA-N 0 1 299.761 2.803 20 30 CFEDMN C=C1CC(C)(C(=O)NC2CN(C[C@@H]3CC[C@@H]4C[C@@H]4C3)C2)C1 ZINC001030923985 779104805 /nfs/dbraw/zinc/10/48/05/779104805.db2.gz HHSVVGVZMOUECU-KFWWJZLASA-N 0 1 288.435 2.579 20 30 CFEDMN C=CCN1CCN(Cc2c(Cl)[nH]c3cnccc32)CC1 ZINC001237449016 779110505 /nfs/dbraw/zinc/11/05/05/779110505.db2.gz AWJCPGJBQCGLDZ-UHFFFAOYSA-N 0 1 290.798 2.520 20 30 CFEDMN C[C@@]1(C#N)CCN([C@H]2CCc3cc(F)ccc3C2)C1 ZINC001168444170 779136572 /nfs/dbraw/zinc/13/65/72/779136572.db2.gz FYOCAAUVWIZKSR-HOTGVXAUSA-N 0 1 258.340 2.919 20 30 CFEDMN N#Cc1ccc2nc(CN3CCC4(CCC4)CC3)cn2c1 ZINC001237609050 779142105 /nfs/dbraw/zinc/14/21/05/779142105.db2.gz LSXYGSBEXZPSKO-UHFFFAOYSA-N 0 1 280.375 2.972 20 30 CFEDMN C[C@@H]1CCN(Cc2cc(Cl)cc(C#N)c2)C[C@@]1(C)O ZINC001237747382 779173699 /nfs/dbraw/zinc/17/36/99/779173699.db2.gz VOHJHNLEFKHQBA-IAQYHMDHSA-N 0 1 278.783 2.804 20 30 CFEDMN N#C[C@@H]1CCCN1Cc1n[nH]c2cc(Cl)ccc21 ZINC001237994569 779225611 /nfs/dbraw/zinc/22/56/11/779225611.db2.gz WOQYBLMTBGDULK-JTQLQIEISA-N 0 1 260.728 2.704 20 30 CFEDMN N#C[C@H]1CCCN(Cc2cc(F)c(O)c(Cl)c2)C1 ZINC001237998953 779227651 /nfs/dbraw/zinc/22/76/51/779227651.db2.gz YOVCPOIXIWHDKB-SECBINFHSA-N 0 1 268.719 2.920 20 30 CFEDMN N#Cc1ccc(CN2CC[C@]3(CCCO3)C2)c(Cl)c1 ZINC001238083738 779249760 /nfs/dbraw/zinc/24/97/60/779249760.db2.gz WVQKBGPKLOSRCO-OAHLLOKOSA-N 0 1 276.767 2.967 20 30 CFEDMN CCCN1CC[C@H]2C[C@]21C(=O)Nc1cc(C)ccc1C#N ZINC001278186818 779250624 /nfs/dbraw/zinc/25/06/24/779250624.db2.gz OWFRVRUMTPZITJ-WMLDXEAASA-N 0 1 283.375 2.680 20 30 CFEDMN N#C[C@@H]1C[C@H](F)CN1Cc1cc(Cl)c(O)cc1F ZINC001238154021 779264654 /nfs/dbraw/zinc/26/46/54/779264654.db2.gz IKSHDDLTJVFFQD-IUCAKERBSA-N 0 1 272.682 2.621 20 30 CFEDMN N#C[C@@H]1CCCN(Cc2cc(Cl)c(O)cc2F)C1 ZINC001238152757 779265616 /nfs/dbraw/zinc/26/56/16/779265616.db2.gz QQGYBDUYDHUINI-VIFPVBQESA-N 0 1 268.719 2.920 20 30 CFEDMN N#Cc1cc(CN2CCC[C@@](F)(CO)CC2)ccc1Cl ZINC001238189622 779273493 /nfs/dbraw/zinc/27/34/93/779273493.db2.gz UJKIRSLICBPMPG-HNNXBMFYSA-N 0 1 296.773 2.898 20 30 CFEDMN N#CC(C(=O)C12CCC(CC1)C2)c1cccc(F)n1 ZINC001122721229 779289089 /nfs/dbraw/zinc/28/90/89/779289089.db2.gz JXIYCRZWJGXUKQ-VTWZXRTESA-N 0 1 258.296 2.977 20 30 CFEDMN CC#CCN1CC[C@](C)(NC(=O)c2ccc(Cl)cc2)C1 ZINC001046789180 779372243 /nfs/dbraw/zinc/37/22/43/779372243.db2.gz JBCSLOOVLWPPGB-INIZCTEOSA-N 0 1 290.794 2.558 20 30 CFEDMN C=CCN1CC[C@](C)(NC(=O)c2cc(CC)c(C)s2)C1 ZINC001046817569 779387061 /nfs/dbraw/zinc/38/70/61/779387061.db2.gz DSDNZFIFYOZYMP-INIZCTEOSA-N 0 1 292.448 2.999 20 30 CFEDMN N#Cc1cc(-c2cc3[nH]nnc3cc2F)ccc1F ZINC001235894929 779396905 /nfs/dbraw/zinc/39/69/05/779396905.db2.gz WCAUCUPLAAJQES-UHFFFAOYSA-N 0 1 256.215 2.775 20 30 CFEDMN N#Cc1nc(-c2cc3ccccc3[nH]c2=O)cc2nc[nH]c21 ZINC001238872497 779410824 /nfs/dbraw/zinc/41/08/24/779410824.db2.gz SASYAVFHTVFWNL-UHFFFAOYSA-N 0 1 287.282 2.750 20 30 CFEDMN Cc1nc2ccc(-c3cnc(C#N)c(F)c3)cc2[nH]1 ZINC001238990512 779434779 /nfs/dbraw/zinc/43/47/79/779434779.db2.gz JOXXNMRLUYMVHQ-UHFFFAOYSA-N 0 1 252.252 2.944 20 30 CFEDMN CCCCCCCCCCS(=O)(=O)N1CC[C@@H]1NC ZINC001239120025 779461993 /nfs/dbraw/zinc/46/19/93/779461993.db2.gz QCYZNJIPTULZKC-CQSZACIVSA-N 0 1 290.473 2.708 20 30 CFEDMN CCCCCCCOC(=O)N1CCNC2(CC2)C1 ZINC001239334122 779524039 /nfs/dbraw/zinc/52/40/39/779524039.db2.gz BDOHOWPQIJLDNH-UHFFFAOYSA-N 0 1 254.374 2.531 20 30 CFEDMN C=CCOC(=O)N1CCNC[C@@H]1c1ccc(Cl)cc1 ZINC001239334297 779525217 /nfs/dbraw/zinc/52/52/17/779525217.db2.gz VLUPBTVIQZPOPT-CYBMUJFWSA-N 0 1 280.755 2.609 20 30 CFEDMN CC#CCN1CC(C)(C)CC[C@@H]1CNC(=O)[C@H]1CC1(C)C ZINC001089628033 779548586 /nfs/dbraw/zinc/54/85/86/779548586.db2.gz FSWOGTVFMVGTMY-HUUCEWRRSA-N 0 1 290.451 2.663 20 30 CFEDMN C=CCN1CC(CNC(=O)c2ccc(C)c(Cl)c2F)C1 ZINC001031872965 779654377 /nfs/dbraw/zinc/65/43/77/779654377.db2.gz BYGWYJYIPCUVIG-UHFFFAOYSA-N 0 1 296.773 2.635 20 30 CFEDMN C=C(C)CN1CC(CNC(=O)c2ccc(C)cc2Cl)C1 ZINC001031997640 779700102 /nfs/dbraw/zinc/70/01/02/779700102.db2.gz XAVWSXQRTYDEDQ-UHFFFAOYSA-N 0 1 292.810 2.886 20 30 CFEDMN C=C(C)CN1CC(CNC(=O)c2cccc(F)c2Cl)C1 ZINC001032006906 779707900 /nfs/dbraw/zinc/70/79/00/779707900.db2.gz PJISEWMSJIGKJX-UHFFFAOYSA-N 0 1 296.773 2.717 20 30 CFEDMN C=CCN1C[C@@]2(CC1=O)CCCCN2Cc1ncccc1C ZINC001272715374 779712676 /nfs/dbraw/zinc/71/26/76/779712676.db2.gz IEAZBIUESRQEOO-SFHVURJKSA-N 0 1 299.418 2.533 20 30 CFEDMN C[C@H]1CCN(Cc2ccc(C#N)cc2Cl)CC[C@H]1O ZINC001238080614 779740555 /nfs/dbraw/zinc/74/05/55/779740555.db2.gz SSIMNUAMEYDOAF-XHDPSFHLSA-N 0 1 278.783 2.804 20 30 CFEDMN C=C(C)CN1CC(CNC(=O)c2c(C)csc2Cl)C1 ZINC001032153021 779748513 /nfs/dbraw/zinc/74/85/13/779748513.db2.gz PVHQSOVXBBPWSQ-UHFFFAOYSA-N 0 1 298.839 2.948 20 30 CFEDMN C[C@H]1CCCN(Cc2ccc(Cl)c(C#N)c2)[C@@H]1CO ZINC001238189368 779762458 /nfs/dbraw/zinc/76/24/58/779762458.db2.gz PRRPAGPJTYXFHO-XHDPSFHLSA-N 0 1 278.783 2.804 20 30 CFEDMN C=CCN1CC(CNC(=O)c2ccc(-c3ccccc3)[nH]2)C1 ZINC001032223427 779775132 /nfs/dbraw/zinc/77/51/32/779775132.db2.gz DDTMARHFHUQFSH-UHFFFAOYSA-N 0 1 295.386 2.529 20 30 CFEDMN C=C(C)CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)CC(C)(C)C ZINC001032281179 779807360 /nfs/dbraw/zinc/80/73/60/779807360.db2.gz QSDCFSGLSTZBLV-KBPBESRZSA-N 0 1 264.413 2.674 20 30 CFEDMN COc1ncc(-c2cc(/C=N/O)cc(C(F)(F)F)c2)cn1 ZINC001239847919 779817250 /nfs/dbraw/zinc/81/72/50/779817250.db2.gz PPHRHWRRSMJGON-PTXOJBNSSA-N 0 1 297.236 2.979 20 30 CFEDMN C=C(C)CN1C[C@@H]2C[C@H]1CN2C(=O)C(C)=C1CCCC1 ZINC001032348870 779884397 /nfs/dbraw/zinc/88/43/97/779884397.db2.gz RRDMEINXHXLTFW-HOTGVXAUSA-N 0 1 274.408 2.738 20 30 CFEDMN C=C(C)CCN1CCO[C@@](C)(CNC(=O)CCCCC)C1 ZINC001107741727 779891120 /nfs/dbraw/zinc/89/11/20/779891120.db2.gz OMNSKDUQLZZABR-KRWDZBQOSA-N 0 1 296.455 2.740 20 30 CFEDMN C=CCCCN1CCO[C@](C)(CNC(=O)C(CC)CC)C1 ZINC001107755861 779893683 /nfs/dbraw/zinc/89/36/83/779893683.db2.gz NIDTUZDTUJZUJJ-QGZVFWFLSA-N 0 1 296.455 2.596 20 30 CFEDMN C=C(C)CC[N@H+]1CCO[C@](C)(CNC(=O)[C@H](C)CCC)C1 ZINC001107823497 779904279 /nfs/dbraw/zinc/90/42/79/779904279.db2.gz ONRWOABUHBROEW-NVXWUHKLSA-N 0 1 296.455 2.596 20 30 CFEDMN C=C(C)CCN1CCO[C@](C)(CNC(=O)[C@H](C)CCC)C1 ZINC001107823497 779904287 /nfs/dbraw/zinc/90/42/87/779904287.db2.gz ONRWOABUHBROEW-NVXWUHKLSA-N 0 1 296.455 2.596 20 30 CFEDMN C=CCCCN1CCO[C@@](C)(CNC(=O)C[C@H](C)CC)C1 ZINC001107901523 779934059 /nfs/dbraw/zinc/93/40/59/779934059.db2.gz RLQQLLARPXLTNH-WBVHZDCISA-N 0 1 296.455 2.596 20 30 CFEDMN C=C(C)CC[N@H+]1CCO[C@@](C)(CNC(=O)/C=C(\C)CC)C1 ZINC001107923524 779939625 /nfs/dbraw/zinc/93/96/25/779939625.db2.gz FCFWIJKOFDNGHN-JMPLCFMRSA-N 0 1 294.439 2.516 20 30 CFEDMN C=C(C)CCN1CCO[C@@](C)(CNC(=O)/C=C(\C)CC)C1 ZINC001107923524 779939630 /nfs/dbraw/zinc/93/96/30/779939630.db2.gz FCFWIJKOFDNGHN-JMPLCFMRSA-N 0 1 294.439 2.516 20 30 CFEDMN C=CCCN1C[C@@H]2C[C@H]1CN2C(=O)c1ccnc(CCC)c1 ZINC001032460249 779959927 /nfs/dbraw/zinc/95/99/27/779959927.db2.gz ICFGFYPUEDDFNL-IRXDYDNUSA-N 0 1 299.418 2.509 20 30 CFEDMN N#Cc1ccc(-c2cc3[nH]cnc3c(C#N)n2)cc1F ZINC001240143226 779963186 /nfs/dbraw/zinc/96/31/86/779963186.db2.gz UDWWLWFYPLEVKM-UHFFFAOYSA-N 0 1 263.235 2.507 20 30 CFEDMN C=CCCN1C[C@@H]2C[C@H]1CN2C(=O)c1ccc(C)c(F)c1 ZINC001032507170 779998568 /nfs/dbraw/zinc/99/85/68/779998568.db2.gz XNMHMHYJBQQABA-GJZGRUSLSA-N 0 1 288.366 2.609 20 30 CFEDMN C=C(C)CN1C[C@@H]2C[C@H]1CN2C(=O)[C@@H]1CCCC1(C)C ZINC001032573723 780046717 /nfs/dbraw/zinc/04/67/17/780046717.db2.gz QWAHGUVPZQCHFT-KKUMJFAQSA-N 0 1 276.424 2.674 20 30 CFEDMN C=C(C)CN1C[C@@H]2C[C@H]1CN2C(=O)C1CCC(=C)CC1 ZINC001032603216 780066008 /nfs/dbraw/zinc/06/60/08/780066008.db2.gz RRTBDPMZMOVJBS-HOTGVXAUSA-N 0 1 274.408 2.594 20 30 CFEDMN C=CCC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1cccc2cc[nH]c21 ZINC001032639750 780101700 /nfs/dbraw/zinc/10/17/00/780101700.db2.gz OZJJZAAXZBKEEQ-GJZGRUSLSA-N 0 1 295.386 2.643 20 30 CFEDMN N#Cc1c[nH]c2ccnc(-c3ccnc4[nH]ccc43)c12 ZINC001240411540 780145070 /nfs/dbraw/zinc/14/50/70/780145070.db2.gz UDAVRWGJXNYCJA-UHFFFAOYSA-N 0 1 259.272 2.978 20 30 CFEDMN C=CCC(CC=C)C(=O)NCCNCC#Cc1ccccc1 ZINC001128085644 780150016 /nfs/dbraw/zinc/15/00/16/780150016.db2.gz YRSLPNCSETVCRZ-UHFFFAOYSA-N 0 1 296.414 2.512 20 30 CFEDMN N#CCS(=O)(=O)Nc1cc(Cl)cc(C(F)(F)F)c1 ZINC000169163216 780177458 /nfs/dbraw/zinc/17/74/58/780177458.db2.gz IMDZLYFQURLBJD-UHFFFAOYSA-N 0 1 298.673 2.624 20 30 CFEDMN C=CCO[C@H]1CCN([C@@H](C)c2cc(C)c(C(=O)OC)o2)C1 ZINC001116557197 780188094 /nfs/dbraw/zinc/18/80/94/780188094.db2.gz ZMDHENVMOOJXOE-STQMWFEESA-N 0 1 293.363 2.713 20 30 CFEDMN N#Cc1c[nH]c2ccnc(-c3ccn4ccnc4c3)c12 ZINC001240497224 780204554 /nfs/dbraw/zinc/20/45/54/780204554.db2.gz NSAVTMRQWIULME-UHFFFAOYSA-N 0 1 259.272 2.749 20 30 CFEDMN C=CCCN1C[C@@H]2C[C@H]1CN2C(=O)c1cc(C)c(C)s1 ZINC001032772037 780204968 /nfs/dbraw/zinc/20/49/68/780204968.db2.gz UEJCLZMMWDROKK-KBPBESRZSA-N 0 1 290.432 2.840 20 30 CFEDMN C=C(C)CN1C[C@@H]2C[C@H]1CN2C(=O)C1CCC=CCC1 ZINC001032787899 780225680 /nfs/dbraw/zinc/22/56/80/780225680.db2.gz BYOFJQCQJOWWOA-HOTGVXAUSA-N 0 1 274.408 2.594 20 30 CFEDMN CCCCC(=O)C(C#N)C(=O)Nc1ccc(OC)cc1 ZINC000131742014 780243247 /nfs/dbraw/zinc/24/32/47/780243247.db2.gz LMDSKLGRSSNDHT-CYBMUJFWSA-N 0 1 274.320 2.533 20 30 CFEDMN C=C(C)CN1C[C@@H]2C[C@H]1CN2C(=O)[C@@H](C)Cc1ccccc1 ZINC001032795585 780244855 /nfs/dbraw/zinc/24/48/55/780244855.db2.gz KNEBKKJAYNLXDA-SZMVWBNQSA-N 0 1 298.430 2.726 20 30 CFEDMN C#CCCN1C[C@@H]2C[C@H]1CN2C(=O)[C@@H]1CCCCC1(C)C ZINC001032811121 780278403 /nfs/dbraw/zinc/27/84/03/780278403.db2.gz QNVXNLCAMGDRAU-JYJNAYRXSA-N 0 1 288.435 2.511 20 30 CFEDMN C=C(Cl)C(C)(C)C(=O)NCCNCC=C(Cl)Cl ZINC001128189684 780357845 /nfs/dbraw/zinc/35/78/45/780357845.db2.gz BDQGNKOUNQXGKL-UHFFFAOYSA-N 0 1 299.629 2.790 20 30 CFEDMN COc1ccc(-c2cc3[nH]cnc3c(C#N)n2)cc1C ZINC001240862903 780486814 /nfs/dbraw/zinc/48/68/14/780486814.db2.gz SFWNVBKTKPWTFE-UHFFFAOYSA-N 0 1 264.288 2.814 20 30 CFEDMN C=C(C)CN1CC[C@@H](N(C)C(=O)c2sccc2C)C1 ZINC001032867838 780490138 /nfs/dbraw/zinc/49/01/38/780490138.db2.gz XEOKQLSIJZCRJS-CYBMUJFWSA-N 0 1 278.421 2.779 20 30 CFEDMN C=C(C)CN1CC[C@H](N(C)C(=O)c2ccc(Cl)o2)C1 ZINC001032912899 780507480 /nfs/dbraw/zinc/50/74/80/780507480.db2.gz JJLWYXJMRNYITG-NSHDSACASA-N 0 1 282.771 2.655 20 30 CFEDMN CC#CCN1CC[C@H](N(C)C(=O)C2CCCCCC2)C1 ZINC001032947326 780516719 /nfs/dbraw/zinc/51/67/19/780516719.db2.gz NPXDQGXAICQNBI-INIZCTEOSA-N 0 1 276.424 2.513 20 30 CFEDMN COc1cc(F)c(-c2cc3[nH]cnc3c(C#N)n2)cc1F ZINC001240953864 780545757 /nfs/dbraw/zinc/54/57/57/780545757.db2.gz LSWZGCUQCKEFBL-UHFFFAOYSA-N 0 1 286.241 2.783 20 30 CFEDMN CC#CCN1CC[C@@H](N(C)C(=O)[C@@H]2CCCC3(CC3)C2)C1 ZINC001033075266 780555188 /nfs/dbraw/zinc/55/51/88/780555188.db2.gz FBXXUVLZFZEVCR-HZPDHXFCSA-N 0 1 288.435 2.513 20 30 CFEDMN C=CCC(C)(C)C(=O)N[C@@H](C)CCNCc1cc(C)on1 ZINC001273043808 780562434 /nfs/dbraw/zinc/56/24/34/780562434.db2.gz HMCLXVCBKOLAHS-LBPRGKRZSA-N 0 1 293.411 2.570 20 30 CFEDMN CN(C)c1cccc(-c2cc3[nH]cnc3c(C#N)n2)c1 ZINC001240982459 780569696 /nfs/dbraw/zinc/56/96/96/780569696.db2.gz SKQVXGPDDZSEAM-UHFFFAOYSA-N 0 1 263.304 2.563 20 30 CFEDMN C#CCN1CC[C@H](N(C)C(=O)c2cc(C)ccc2C2CC2)C1 ZINC001033296305 780642838 /nfs/dbraw/zinc/64/28/38/780642838.db2.gz SPZLUDBMLJDGFZ-INIZCTEOSA-N 0 1 296.414 2.652 20 30 CFEDMN C=CCN1CC[C@@H](N(C)C(=O)c2cc3ccccc3n2C)C1 ZINC001033376916 780669454 /nfs/dbraw/zinc/66/94/54/780669454.db2.gz XNANGVRCCLTNPD-OAHLLOKOSA-N 0 1 297.402 2.511 20 30 CFEDMN C=CCN1CC[C@@H](N(C)C(=O)c2ccc(C3CC3)nc2C)C1 ZINC001033432920 780680138 /nfs/dbraw/zinc/68/01/38/780680138.db2.gz UJVMUHWISFKTLU-OAHLLOKOSA-N 0 1 299.418 2.600 20 30 CFEDMN C=CCN1CC[C@H](N(C)C(=O)c2ccc(C=C)cc2)C1 ZINC001033444679 780683326 /nfs/dbraw/zinc/68/33/26/780683326.db2.gz YJLZQKOVACGEPE-INIZCTEOSA-N 0 1 270.376 2.662 20 30 CFEDMN C=CC[N@@H+]1CC[C@H](N(C)C(=O)[C@H](C)c2cccc(C)c2)C1 ZINC001033457830 780686650 /nfs/dbraw/zinc/68/66/50/780686650.db2.gz DVBIAJYLNJQBKW-WBVHZDCISA-N 0 1 286.419 2.817 20 30 CFEDMN C=CCN1CC[C@H](N(C)C(=O)[C@H](C)c2cccc(C)c2)C1 ZINC001033457830 780686651 /nfs/dbraw/zinc/68/66/51/780686651.db2.gz DVBIAJYLNJQBKW-WBVHZDCISA-N 0 1 286.419 2.817 20 30 CFEDMN C#C[C@@H](CCC)NC(=O)c1ccc(CN(CC)CC)o1 ZINC000700592173 780703055 /nfs/dbraw/zinc/70/30/55/780703055.db2.gz HKKZYDIHRYRWDW-ZDUSSCGKSA-N 0 1 276.380 2.653 20 30 CFEDMN C=C(C)CN1CC[C@@H](N(C)C(=O)c2ccoc2CCC)C1 ZINC001033579899 780716645 /nfs/dbraw/zinc/71/66/45/780716645.db2.gz ANNMFHAQZLHIGU-CQSZACIVSA-N 0 1 290.407 2.955 20 30 CFEDMN C=CCN1CC[C@H](N(C)C(=O)[C@@H](C)C2CCCC2)C1 ZINC001033574997 780716658 /nfs/dbraw/zinc/71/66/58/780716658.db2.gz OKUKRHYOFXXHNF-ZFWWWQNUSA-N 0 1 264.413 2.531 20 30 CFEDMN CC#CCN1CC[C@H](N(C)C(=O)[C@H](C)c2ccc(C)cc2)C1 ZINC001033589157 780719146 /nfs/dbraw/zinc/71/91/46/780719146.db2.gz JLITVOWVSJZVRA-AEFFLSMTSA-N 0 1 298.430 2.655 20 30 CFEDMN C=CCN1CC[C@H](N(C)C(=O)c2cc(CC)c(CC)o2)C1 ZINC001033593818 780721187 /nfs/dbraw/zinc/72/11/87/780721187.db2.gz MTUORTBFZVXASY-AWEZNQCLSA-N 0 1 290.407 2.737 20 30 CFEDMN CC#CCN1CC[C@H](N(C)C(=O)c2ccc(Cl)cc2)C1 ZINC001033603743 780727171 /nfs/dbraw/zinc/72/71/71/780727171.db2.gz OLBLQKCGPJYZRL-HNNXBMFYSA-N 0 1 290.794 2.510 20 30 CFEDMN C=CCN1CC[C@H](N(C)C(=O)c2ccc3ccccc3n2)C1 ZINC001033608653 780729636 /nfs/dbraw/zinc/72/96/36/780729636.db2.gz HJGROKGSDHZAFQ-HNNXBMFYSA-N 0 1 295.386 2.567 20 30 CFEDMN C=CCN1CC[C@@H](N(C)C(=O)c2ccc(C3CC3)cc2)C1 ZINC001033672636 780745536 /nfs/dbraw/zinc/74/55/36/780745536.db2.gz RIMCUJQNRNKFBX-QGZVFWFLSA-N 0 1 284.403 2.896 20 30 CFEDMN C=CCN1CC[C@@H](N(C)C(=O)C23CC(C(C)(C)C)(C2)C3)C1 ZINC001033697264 780752417 /nfs/dbraw/zinc/75/24/17/780752417.db2.gz BQVADQHVXFURIX-RWBZWWBESA-N 0 1 290.451 2.922 20 30 CFEDMN C=CCN1CC[C@@H](N(C)C(=O)[C@H]2CC3CCC2CC3)C1 ZINC001033689567 780754041 /nfs/dbraw/zinc/75/40/41/780754041.db2.gz CPLUIIHUYZYUAG-FJBKBRRZSA-N 0 1 276.424 2.531 20 30 CFEDMN C#CCN1CC[C@H](N(C)C(=O)c2ccc([C@@H](C)CC)cc2)C1 ZINC001033690136 780754461 /nfs/dbraw/zinc/75/44/61/780754461.db2.gz QHCWLUUTOBPVNL-YJBOKZPZSA-N 0 1 298.430 2.980 20 30 CFEDMN C=CCN1CC[C@H](N(C)C(=O)[C@@H]2CC3CCC2CC3)C1 ZINC001033689571 780754699 /nfs/dbraw/zinc/75/46/99/780754699.db2.gz CPLUIIHUYZYUAG-SSHXOBKSSA-N 0 1 276.424 2.531 20 30 CFEDMN CC#CCN1CC[C@@H](N(C)C(=O)c2cccc(C3CC3)c2)C1 ZINC001033692133 780754744 /nfs/dbraw/zinc/75/47/44/780754744.db2.gz FTOXGKJGLIQQSC-GOSISDBHSA-N 0 1 296.414 2.734 20 30 CFEDMN C=CCN1CC[C@@H](N(C)C(=O)C2CC(C(C)(C)C)C2)C1 ZINC001033705226 780756086 /nfs/dbraw/zinc/75/60/86/780756086.db2.gz QREOJVXKTSCRFB-YMAMQOFZSA-N 0 1 278.440 2.777 20 30 CFEDMN C=CCN1CC[C@H](N(C)C(=O)C2CC(c3ccccc3)C2)C1 ZINC001033701206 780756718 /nfs/dbraw/zinc/75/67/18/780756718.db2.gz GXONVQAYWQLXNV-ABHNRTSZSA-N 0 1 298.430 2.899 20 30 CFEDMN CC(=O)c1ccc(F)c(-c2cc3[nH]cnc3c(C#N)n2)c1 ZINC001241297973 780766133 /nfs/dbraw/zinc/76/61/33/780766133.db2.gz DICZJOGUAJUGEK-UHFFFAOYSA-N 0 1 280.262 2.838 20 30 CFEDMN C#CCN1CC[C@H](N(C)C(=O)c2ccc(CC)c(CC)c2)C1 ZINC001033731050 780768350 /nfs/dbraw/zinc/76/83/50/780768350.db2.gz WSNHHWIJHAMYSR-SFHVURJKSA-N 0 1 298.430 2.591 20 30 CFEDMN C=C(C)C[N@@H+]1CC[C@@H](N(CC)C(=O)c2ccc(C)o2)C1 ZINC001033743490 780773451 /nfs/dbraw/zinc/77/34/51/780773451.db2.gz UHMCNFDYEMUGKV-CQSZACIVSA-N 0 1 276.380 2.701 20 30 CFEDMN C=C(C)CN1CC[C@@H](N(CC)C(=O)c2ccc(C)o2)C1 ZINC001033743490 780773458 /nfs/dbraw/zinc/77/34/58/780773458.db2.gz UHMCNFDYEMUGKV-CQSZACIVSA-N 0 1 276.380 2.701 20 30 CFEDMN C=C(C)CN1CC[C@H](N(CC)C(=O)c2cnc(C)s2)C1 ZINC001033769853 780781106 /nfs/dbraw/zinc/78/11/06/780781106.db2.gz NYRNWBUASVXMEJ-ZDUSSCGKSA-N 0 1 293.436 2.564 20 30 CFEDMN C=CCN1CC[C@H](N(CC)C(=O)[C@H]2[C@@H]3CCCC[C@@H]32)C1 ZINC001033786707 780786257 /nfs/dbraw/zinc/78/62/57/780786257.db2.gz NSIOJCYLLZTUBK-CAOSSQGBSA-N 0 1 276.424 2.531 20 30 CFEDMN C=CC[N@@H+]1CC[C@@H](N(CC)C(=O)[C@@H]2CCCC2(C)C)C1 ZINC001033928641 780827278 /nfs/dbraw/zinc/82/72/78/780827278.db2.gz FFLKWIWFUAWQIL-CABCVRRESA-N 0 1 278.440 2.922 20 30 CFEDMN C=CCN1CC[C@@H](N(CC)C(=O)[C@@H]2CCCC2(C)C)C1 ZINC001033928641 780827283 /nfs/dbraw/zinc/82/72/83/780827283.db2.gz FFLKWIWFUAWQIL-CABCVRRESA-N 0 1 278.440 2.922 20 30 CFEDMN C=CCN1CC[C@H](N(CC)C(=O)[C@@H]2CCC2(C)C)C1 ZINC001033927368 780827826 /nfs/dbraw/zinc/82/78/26/780827826.db2.gz OLYAMGNAHMTKEQ-KBPBESRZSA-N 0 1 264.413 2.531 20 30 CFEDMN C=C(C)CN1CC[C@@H](N(CC)C(=O)c2cocc2C)C1 ZINC001033927882 780827965 /nfs/dbraw/zinc/82/79/65/780827965.db2.gz USHDKMKEGKCNCS-CQSZACIVSA-N 0 1 276.380 2.701 20 30 CFEDMN C=CCN1CC[C@@H](N(CC)C(=O)c2cc(C(C)C)no2)C1 ZINC001033975238 780845590 /nfs/dbraw/zinc/84/55/90/780845590.db2.gz DHQHSGJEJKPGNB-CYBMUJFWSA-N 0 1 291.395 2.520 20 30 CFEDMN CC(=O)[C@@H]1CCCN(Cc2ccc(C)c(C#N)c2)C1 ZINC000701840354 780849454 /nfs/dbraw/zinc/84/94/54/780849454.db2.gz JFFMWAOXGWFEAT-OAHLLOKOSA-N 0 1 256.349 2.668 20 30 CFEDMN C#CC[N@@H+]1CC[C@@H](N(CC)C(=O)C2CCC(C)(C)CC2)C1 ZINC001034051742 780864981 /nfs/dbraw/zinc/86/49/81/780864981.db2.gz ZWPYNPNAGPTTNM-MRXNPFEDSA-N 0 1 290.451 2.759 20 30 CFEDMN C#CCN1CC[C@@H](N(CC)C(=O)C2CCC(C)(C)CC2)C1 ZINC001034051742 780864989 /nfs/dbraw/zinc/86/49/89/780864989.db2.gz ZWPYNPNAGPTTNM-MRXNPFEDSA-N 0 1 290.451 2.759 20 30 CFEDMN C#CC[N@@H+]1CC[C@@H](N(CC)C(=O)c2ccc(C(C)C)cc2)C1 ZINC001034025327 780865410 /nfs/dbraw/zinc/86/54/10/780865410.db2.gz NKWJHQKKHPPUPE-GOSISDBHSA-N 0 1 298.430 2.980 20 30 CFEDMN C#CCN1CC[C@@H](N(CC)C(=O)c2ccc(C(C)C)cc2)C1 ZINC001034025327 780865416 /nfs/dbraw/zinc/86/54/16/780865416.db2.gz NKWJHQKKHPPUPE-GOSISDBHSA-N 0 1 298.430 2.980 20 30 CFEDMN C#CCN1CCCC[C@@H](NC(=O)C2CCCCCC2)C1 ZINC001034143463 780906426 /nfs/dbraw/zinc/90/64/26/780906426.db2.gz XVBYDTHJPDOCOK-MRXNPFEDSA-N 0 1 276.424 2.561 20 30 CFEDMN CC#CCN1CCCC[C@@H](NC(=O)C[C@H]2C=CCCC2)C1 ZINC001034266471 780935473 /nfs/dbraw/zinc/93/54/73/780935473.db2.gz OKFNQKQDJDARHP-DLBZAZTESA-N 0 1 288.435 2.727 20 30 CFEDMN CC#CCN1CCCC[C@H](NC(=O)[C@@H]2CCCC23CC3)C1 ZINC001034273997 780936667 /nfs/dbraw/zinc/93/66/67/780936667.db2.gz SQVQJZVJUSLJLH-HOTGVXAUSA-N 0 1 288.435 2.561 20 30 CFEDMN C=C(C)C[N@H+]1CCCC[C@H](NC(=O)c2[nH]c(C)cc2C)C1 ZINC001034277984 780938413 /nfs/dbraw/zinc/93/84/13/780938413.db2.gz UYJUJTRKZHQNET-HNNXBMFYSA-N 0 1 289.423 2.792 20 30 CFEDMN C=CCN1CCCC[C@@H](NC(=O)c2ccc(Cl)cn2)C1 ZINC001034497185 780984054 /nfs/dbraw/zinc/98/40/54/780984054.db2.gz PJQIGMBBTBEDHQ-CYBMUJFWSA-N 0 1 293.798 2.505 20 30 CFEDMN CC#CCN1CCCC[C@H](NC(=O)[C@H]2CC[C@H](C)CC2)C1 ZINC001034498748 780984575 /nfs/dbraw/zinc/98/45/75/780984575.db2.gz NZHNLBYFXMWRGB-ULQDDVLXSA-N 0 1 290.451 2.807 20 30 CFEDMN C=CCN1CCCC[C@@H](NC(=O)c2oc(CC)cc2C)C1 ZINC001034484801 780986018 /nfs/dbraw/zinc/98/60/18/780986018.db2.gz OJMHJURNZNOYQZ-CQSZACIVSA-N 0 1 290.407 2.921 20 30 CFEDMN CC#CCN1CCCC[C@H](NC(=O)c2ccc(C)c(C)c2)C1 ZINC001034518657 780992412 /nfs/dbraw/zinc/99/24/12/780992412.db2.gz LDGZWDPTHYYVBR-SFHVURJKSA-N 0 1 298.430 2.911 20 30 CFEDMN COc1nc(C)nc(-c2ccc3c(C)[nH]nc3c2)c1C#N ZINC001241637883 781037685 /nfs/dbraw/zinc/03/76/85/781037685.db2.gz CWZRTOJYPPLTFT-UHFFFAOYSA-N 0 1 279.303 2.517 20 30 CFEDMN CCc1nc(C#N)c(C#N)nc1-c1ccc2c(C)[nH]nc2c1 ZINC001241640118 781038737 /nfs/dbraw/zinc/03/87/37/781038737.db2.gz XIORKAVDDVVYPZ-UHFFFAOYSA-N 0 1 288.314 2.634 20 30 CFEDMN COc1nc(-c2ccc3n[nH]c(C)c3c2)c(F)cc1C#N ZINC001241667643 781059851 /nfs/dbraw/zinc/05/98/51/781059851.db2.gz RNBDONRECYCZIE-UHFFFAOYSA-N 0 1 282.278 2.953 20 30 CFEDMN C#CCOc1ccccc1CNCc1cccnc1C ZINC000705592184 781142431 /nfs/dbraw/zinc/14/24/31/781142431.db2.gz YXSUPBUMUDGLME-UHFFFAOYSA-N 0 1 266.344 2.692 20 30 CFEDMN C=CCN1CC2(C1)CCN(C(=O)c1ccoc1Cl)CC2 ZINC001035692945 781159192 /nfs/dbraw/zinc/15/91/92/781159192.db2.gz PBJUJSDPSUJJEC-UHFFFAOYSA-N 0 1 294.782 2.657 20 30 CFEDMN C=CCN1CC2(C1)CCN(C(=O)[C@H](C)C(C)(C)C)CC2 ZINC001035732457 781161809 /nfs/dbraw/zinc/16/18/09/781161809.db2.gz DCFXOKZKKXZAAN-AWEZNQCLSA-N 0 1 278.440 2.779 20 30 CFEDMN C=CCN1CC2(C1)CCN(C(=O)C[C@@H]1CC[C@@H]3C[C@@H]31)CC2 ZINC001035742194 781163304 /nfs/dbraw/zinc/16/33/04/781163304.db2.gz QYFLWDUUSRCUPZ-PMPSAXMXSA-N 0 1 288.435 2.533 20 30 CFEDMN C=CC(C)(C)C(=O)N1CCC2(CN(C[C@H](F)CC)C2)CC1 ZINC001035768063 781166166 /nfs/dbraw/zinc/16/61/66/781166166.db2.gz YESVGBRCTZZKTN-CQSZACIVSA-N 0 1 296.430 2.871 20 30 CFEDMN C=CCN1CC2(C1)CCN(C(=O)[C@@H]1CCC1(C)C)CC2 ZINC001035771043 781166546 /nfs/dbraw/zinc/16/65/46/781166546.db2.gz NTKVZBNRSATVHF-AWEZNQCLSA-N 0 1 276.424 2.533 20 30 CFEDMN C=CCN1CC2(C1)CCN(C(=O)c1occc1CC)CC2 ZINC001035784620 781169041 /nfs/dbraw/zinc/16/90/41/781169041.db2.gz HSKXSSPPIDEGCB-UHFFFAOYSA-N 0 1 288.391 2.566 20 30 CFEDMN C=CCN1CC2(C1)CCN(C(=O)[C@H]1C[C@]1(C)C(C)C)CC2 ZINC001035828878 781175646 /nfs/dbraw/zinc/17/56/46/781175646.db2.gz UUNSXQUHZQWEER-NVXWUHKLSA-N 0 1 290.451 2.779 20 30 CFEDMN C=CCN1CC2(C1)CCN(C(=O)[C@H]1CC13CCCC3)CC2 ZINC001035829281 781175802 /nfs/dbraw/zinc/17/58/02/781175802.db2.gz OXBQOHUGQBPANN-OAHLLOKOSA-N 0 1 288.435 2.677 20 30 CFEDMN C=CCN1CC2(C1)CCN(C(=O)c1ccc(CC)cc1)CC2 ZINC001035845278 781178035 /nfs/dbraw/zinc/17/80/35/781178035.db2.gz FXKMTLXLLMCPRC-UHFFFAOYSA-N 0 1 298.430 2.973 20 30 CFEDMN N#Cc1cc2c(cccc2-c2ccc3[nH]nnc3c2)[nH]1 ZINC001241941300 781196112 /nfs/dbraw/zinc/19/61/12/781196112.db2.gz WIQZYSOPDURNPP-UHFFFAOYSA-N 0 1 259.272 2.978 20 30 CFEDMN N#Cc1cc2c(cccc2-c2ccc3nn[nH]c3c2)[nH]1 ZINC001241941300 781196114 /nfs/dbraw/zinc/19/61/14/781196114.db2.gz WIQZYSOPDURNPP-UHFFFAOYSA-N 0 1 259.272 2.978 20 30 CFEDMN N#CCc1c(F)cccc1-c1ccc2[nH]nnc2c1 ZINC001241944439 781199941 /nfs/dbraw/zinc/19/99/41/781199941.db2.gz NHGODZNDNMCNHC-UHFFFAOYSA-N 0 1 252.252 2.830 20 30 CFEDMN N#CCc1c(F)cccc1-c1ccc2nn[nH]c2c1 ZINC001241944439 781199945 /nfs/dbraw/zinc/19/99/45/781199945.db2.gz NHGODZNDNMCNHC-UHFFFAOYSA-N 0 1 252.252 2.830 20 30 CFEDMN CON=Cc1cc(-c2ccc3[nH]nnc3c2)cc(F)c1F ZINC001241943624 781200148 /nfs/dbraw/zinc/20/01/48/781200148.db2.gz WYBHZUQDXSUKFH-REZTVBANSA-N 0 1 288.257 2.883 20 30 CFEDMN CO/N=C/c1cc(-c2ccc3nn[nH]c3c2)cc(F)c1F ZINC001241943624 781200155 /nfs/dbraw/zinc/20/01/55/781200155.db2.gz WYBHZUQDXSUKFH-REZTVBANSA-N 0 1 288.257 2.883 20 30 CFEDMN C/C(=N\C#N)N(C)Cc1ccc(-c2ccc(F)cc2O)nc1 ZINC001242215917 781331770 /nfs/dbraw/zinc/33/17/70/781331770.db2.gz LBRZRXSAMHZEJW-RGVLZGJSSA-N 0 1 298.321 2.925 20 30 CFEDMN COC(=O)c1ccc(-c2ccc(F)cc2O)c(C#N)c1 ZINC001242218108 781333062 /nfs/dbraw/zinc/33/30/62/781333062.db2.gz SBLLKWGNVJOKNF-UHFFFAOYSA-N 0 1 271.247 2.857 20 30 CFEDMN COC(=O)c1cc(-c2ccc(F)cc2O)ccc1C#N ZINC001242219393 781334561 /nfs/dbraw/zinc/33/45/61/781334561.db2.gz RJNUEENVUFSAEO-UHFFFAOYSA-N 0 1 271.247 2.857 20 30 CFEDMN C#Cc1ccc(-c2ccc3cc(C(=O)OC)nc-3[nH]2)cc1 ZINC001242293654 781372678 /nfs/dbraw/zinc/37/26/78/781372678.db2.gz LLFIPSVANNKWPO-UHFFFAOYSA-N 0 1 276.295 2.998 20 30 CFEDMN CC(C)(C)c1nc2nc[nH]c2c(-c2cccnc2C#N)n1 ZINC001242309551 781386176 /nfs/dbraw/zinc/38/61/76/781386176.db2.gz VPWYVTRXHFFQPX-UHFFFAOYSA-N 0 1 278.319 2.584 20 30 CFEDMN C=C(Cl)CN1CC[C@@H]2CN(C(=O)/C=C/C3CC3)CC[C@H]21 ZINC001036676199 781400607 /nfs/dbraw/zinc/40/06/07/781400607.db2.gz ISFHHUBEVXIXHT-DPOFCPOHSA-N 0 1 294.826 2.628 20 30 CFEDMN COc1ccc(C#N)cc1CN1CCC[C@H](CF)C1 ZINC000711421289 781431272 /nfs/dbraw/zinc/43/12/72/781431272.db2.gz PAKBRYMKBSDVCX-CYBMUJFWSA-N 0 1 262.328 2.748 20 30 CFEDMN Cn1ccc(-c2cc(/C=N/O)cc(C(F)(F)F)c2)n1 ZINC001242459099 781514895 /nfs/dbraw/zinc/51/48/95/781514895.db2.gz AFRAECQQHQGGHC-FRKPEAEDSA-N 0 1 269.226 2.914 20 30 CFEDMN CC(=O)CC(C)=Nc1cccc(C(=O)OC(C)(C)C)n1 ZINC001163737253 781564389 /nfs/dbraw/zinc/56/43/89/781564389.db2.gz RVNFVHICDZZBPV-KTKRTIGZSA-N 0 1 276.336 2.942 20 30 CFEDMN C=C(C)CN1C[C@@H](C)[C@H](NC(=O)c2ccc(C)s2)C1 ZINC001079365549 781583980 /nfs/dbraw/zinc/58/39/80/781583980.db2.gz ZZPGVNRKKOSFJN-DGCLKSJQSA-N 0 1 278.421 2.683 20 30 CFEDMN C[C@H](O)c1cccc(-c2cc3[nH]cnc3c(C#N)n2)c1 ZINC001242546086 781584801 /nfs/dbraw/zinc/58/48/01/781584801.db2.gz LSBZOFGNNRBHDR-VIFPVBQESA-N 0 1 264.288 2.550 20 30 CFEDMN N#Cc1cc(-c2cncc(C[NH+]3CCCC3)c2)ccc1[O-] ZINC001242566638 781605933 /nfs/dbraw/zinc/60/59/33/781605933.db2.gz IXHCFRKOVGFVNL-UHFFFAOYSA-N 0 1 279.343 2.922 20 30 CFEDMN C=CCN1C[C@@H](C)[C@H](NC(=O)c2cc(F)c(C)cc2F)C1 ZINC001079903648 781626299 /nfs/dbraw/zinc/62/62/99/781626299.db2.gz ZVRNOQLNBLHQDB-IAQYHMDHSA-N 0 1 294.345 2.509 20 30 CFEDMN C#CCN1C[C@@H](C)[C@H](NC(=O)c2ccccc2C(C)(C)C)C1 ZINC001079924189 781628026 /nfs/dbraw/zinc/62/80/26/781628026.db2.gz JXYYVQWPNUGQFE-RHSMWYFYSA-N 0 1 298.430 2.667 20 30 CFEDMN C=CCN1C[C@@H](C)[C@H](NC(=O)c2cc3cc(C)ccc3[nH]2)C1 ZINC001080242135 781643356 /nfs/dbraw/zinc/64/33/56/781643356.db2.gz KCLUJRYQIWRAML-CXAGYDPISA-N 0 1 297.402 2.712 20 30 CFEDMN C=CCN1C[C@@H](C)[C@H](NC(=O)c2occc2C(C)C)C1 ZINC001080317322 781650670 /nfs/dbraw/zinc/65/06/70/781650670.db2.gz YNGYZWWGVIMHKG-TZMCWYRMSA-N 0 1 276.380 2.639 20 30 CFEDMN C=CCN1C[C@@H](C)[C@H](NC(=O)c2cccc(F)c2Cl)C1 ZINC001080509035 781665104 /nfs/dbraw/zinc/66/51/04/781665104.db2.gz ZLCXLEZTRGRJCI-ZWNOBZJWSA-N 0 1 296.773 2.715 20 30 CFEDMN C#CCN1C[C@@H](C)[C@H](NC(=O)c2cccc(C3CCC3)c2)C1 ZINC001080779378 781677256 /nfs/dbraw/zinc/67/72/56/781677256.db2.gz LFTGTPOQIINDOQ-RDTXWAMCSA-N 0 1 296.414 2.637 20 30 CFEDMN C#CCN1C[C@@H](C)[C@H](NC(=O)c2ccc([C@@H](C)CC)cc2)C1 ZINC001081007844 781689697 /nfs/dbraw/zinc/68/96/97/781689697.db2.gz KRLCRRKZWUCSAG-HDMKZQKVSA-N 0 1 298.430 2.883 20 30 CFEDMN C#CCN1CC(C)(C)CC[C@@H]1CNC(=O)CC1CCCC1 ZINC001098872884 781723660 /nfs/dbraw/zinc/72/36/60/781723660.db2.gz HILVYSXFCNIFNM-MRXNPFEDSA-N 0 1 290.451 2.807 20 30 CFEDMN C[C@H]1CC(=O)C=C(c2cncc([C@H]3CN4CCC3CC4)n2)C1 ZINC001242740899 781733648 /nfs/dbraw/zinc/73/36/48/781733648.db2.gz UKVHQUCDXMDTPB-WBMJQRKESA-N 0 1 297.402 2.668 20 30 CFEDMN CC#CC[N@H+]1CC(C)(C)CC[C@@H]1CNC(=O)C=C(C)C ZINC001098880841 781735507 /nfs/dbraw/zinc/73/55/07/781735507.db2.gz SNDWAOYFNYKJOP-OAHLLOKOSA-N 0 1 276.424 2.583 20 30 CFEDMN CC#CCN1CC(C)(C)CC[C@@H]1CNC(=O)C=C(C)C ZINC001098880841 781735513 /nfs/dbraw/zinc/73/55/13/781735513.db2.gz SNDWAOYFNYKJOP-OAHLLOKOSA-N 0 1 276.424 2.583 20 30 CFEDMN C=C(Cl)CN[C@@H]1CN(C(=O)C[C@@H](C)C2CC2)C[C@H]1C ZINC001082946137 781753222 /nfs/dbraw/zinc/75/32/22/781753222.db2.gz UBILCRQAKSGTOH-JTNHKYCSSA-N 0 1 284.831 2.612 20 30 CFEDMN C=C(C)CN1CC[C@@H]2CN(C(=O)c3cccc(F)c3)[C@@H]2C1 ZINC001084164648 781776165 /nfs/dbraw/zinc/77/61/65/781776165.db2.gz QENLXOBBZCJPJT-GDBMZVCRSA-N 0 1 288.366 2.548 20 30 CFEDMN C=CCN1CC[C@@H]2CN(C(=O)C=C3CCCCC3)[C@@H]2C1 ZINC001084219750 781782033 /nfs/dbraw/zinc/78/20/33/781782033.db2.gz PKCSIOKUOJPMNP-HZPDHXFCSA-N 0 1 274.408 2.596 20 30 CFEDMN C=CCN1CC[C@@H]2CN(C(=O)[C@@H]3CCCC4(CC4)C3)[C@@H]2C1 ZINC001084341233 781788980 /nfs/dbraw/zinc/78/89/80/781788980.db2.gz DSZWHEGEZHOSSY-BZUAXINKSA-N 0 1 288.435 2.676 20 30 CFEDMN C=C(C)CN1CC[C@@H]2CN(C(=O)[C@]3(C)C[C@H]4C[C@H]4C3)[C@@H]2C1 ZINC001084544073 781801622 /nfs/dbraw/zinc/80/16/22/781801622.db2.gz NRUUOJSBEMSZRS-XLKGFZLASA-N 0 1 288.435 2.531 20 30 CFEDMN C=CCN1CC[C@@H]2CN(C(=O)c3ccc4[nH]ccc4c3)[C@@H]2C1 ZINC001084620516 781810092 /nfs/dbraw/zinc/81/00/92/781810092.db2.gz LDNHBMCPXHZGEZ-NVXWUHKLSA-N 0 1 295.386 2.500 20 30 CFEDMN C#CCN1CCC(N(C)C(=O)[C@@H]2CCCC[C@H]2CC)CC1 ZINC001006212297 781817364 /nfs/dbraw/zinc/81/73/64/781817364.db2.gz SYWZTKNBCWTWOB-NVXWUHKLSA-N 0 1 290.451 2.759 20 30 CFEDMN C=CC[N@@H+]1CC[C@@H]2CN(C(=O)[C@H]3CC[C@H](C)CC3)[C@@H]2C1 ZINC001084784812 781834169 /nfs/dbraw/zinc/83/41/69/781834169.db2.gz GXEJMZIKMRHMAZ-KLHDSHLOSA-N 0 1 276.424 2.531 20 30 CFEDMN C=CCN1CC[C@@H]2CN(C(=O)[C@H]3CC[C@H](C)CC3)[C@@H]2C1 ZINC001084784812 781834176 /nfs/dbraw/zinc/83/41/76/781834176.db2.gz GXEJMZIKMRHMAZ-KLHDSHLOSA-N 0 1 276.424 2.531 20 30 CFEDMN C=CCN1CC[C@@H]2CN(C(=O)[C@@H](C)c3ccccc3C)[C@@H]2C1 ZINC001084846696 781845728 /nfs/dbraw/zinc/84/57/28/781845728.db2.gz VLINBHGYCZYTBO-LZLYRXPVSA-N 0 1 298.430 2.817 20 30 CFEDMN CC#CCN1CCC(NC(=O)C[C@@H](C)C(C)(C)C)CC1 ZINC001230137886 781847817 /nfs/dbraw/zinc/84/78/17/781847817.db2.gz WDGALCHWLPHIQX-CQSZACIVSA-N 0 1 278.440 2.663 20 30 CFEDMN COc1ccc(-c2nccc3[nH]cc(C#N)c32)c(C)n1 ZINC001242927553 781850256 /nfs/dbraw/zinc/85/02/56/781850256.db2.gz YSOQLFMMMKMJKL-UHFFFAOYSA-N 0 1 264.288 2.814 20 30 CFEDMN CCCCCCC[N@H+]1CC[C@@H]1CN(C)C(=O)[C@H](C)OCC ZINC001230855052 781876127 /nfs/dbraw/zinc/87/61/27/781876127.db2.gz GXVGPGNFILOFEZ-JKSUJKDBSA-N 0 1 298.471 2.915 20 30 CFEDMN C[C@@H](C#C[Si](C)(C)C)Oc1nc(Cl)nc2[nH]ncc21 ZINC001231047169 781896827 /nfs/dbraw/zinc/89/68/27/781896827.db2.gz LMMMYSMOMGZEAV-QMMMGPOBSA-N 0 1 294.818 2.654 20 30 CFEDMN N#Cc1csc(CN[C@H]2CCc3ccccc3NC2=O)c1 ZINC000594511895 349435539 /nfs/dbraw/zinc/43/55/39/349435539.db2.gz SAENMLMMXDFTMY-HNNXBMFYSA-N 0 1 297.383 2.663 20 30 CFEDMN C[C@H](NCc1cnc2n1CCC2)c1ccc(C#N)cc1 ZINC000594914198 349503809 /nfs/dbraw/zinc/50/38/09/349503809.db2.gz FCPWPBCADMJDBR-LBPRGKRZSA-N 0 1 266.348 2.552 20 30 CFEDMN N#Cc1ccc2c(c1)CC[C@H]2NCc1ccnn1CC1CC1 ZINC000594937385 349518467 /nfs/dbraw/zinc/51/84/67/349518467.db2.gz INLUTUUBWZGWCY-GOSISDBHSA-N 0 1 292.386 2.942 20 30 CFEDMN Cn1ncc(C2CCC2)c1CNCc1ccc(C#N)s1 ZINC000594951568 349526283 /nfs/dbraw/zinc/52/62/83/349526283.db2.gz VMIWQIAIKCHQFF-UHFFFAOYSA-N 0 1 286.404 2.911 20 30 CFEDMN Cc1cnn(C)c1CNC(C)(C)c1cccc(C#N)c1 ZINC000594970128 349536182 /nfs/dbraw/zinc/53/61/82/349536182.db2.gz UFRPZGOPPRALMI-UHFFFAOYSA-N 0 1 268.364 2.625 20 30 CFEDMN C[C@@H](O)[C@H](NCc1ccc(C#N)s1)c1ccccc1 ZINC000595009542 349547390 /nfs/dbraw/zinc/54/73/90/349547390.db2.gz YBCADKLVHVIKDO-ABAIWWIYSA-N 0 1 272.373 2.831 20 30 CFEDMN C[C@H](O)[C@H](NCc1cc(C#N)cs1)c1ccccc1 ZINC000595008427 349547590 /nfs/dbraw/zinc/54/75/90/349547590.db2.gz SIHRNVIFVKCBAT-NHYWBVRUSA-N 0 1 272.373 2.831 20 30 CFEDMN C=CCCCN(C)[C@@H]1CCN(c2sccc2C#N)C1=O ZINC000083224975 178360432 /nfs/dbraw/zinc/36/04/32/178360432.db2.gz PCALFRSLLCSVPG-CYBMUJFWSA-N 0 1 289.404 2.623 20 30 CFEDMN N#CCC1CCN(Cc2cnc3ccccc3n2)CC1 ZINC000595428034 349623398 /nfs/dbraw/zinc/62/33/98/349623398.db2.gz YYSVAIGRWZJWSO-UHFFFAOYSA-N 0 1 266.348 2.755 20 30 CFEDMN C[C@H]1CN(CCc2ccc(C#N)cc2)C[C@H](C2CC2)O1 ZINC000595470819 349637052 /nfs/dbraw/zinc/63/70/52/349637052.db2.gz XBBJQCUPHYZVIJ-SUMWQHHRSA-N 0 1 270.376 2.600 20 30 CFEDMN CN(CCCCC#N)[C@@H](c1nnc[nH]1)c1ccccc1 ZINC000595522615 349649821 /nfs/dbraw/zinc/64/98/21/349649821.db2.gz CVHIWCGDDOEFHW-CQSZACIVSA-N 0 1 269.352 2.520 20 30 CFEDMN C[C@@H]1CN(CCc2ccc(C#N)cc2)C2(CCC2)CO1 ZINC000595562238 349660402 /nfs/dbraw/zinc/66/04/02/349660402.db2.gz GTOPPPGLDVDFJD-CQSZACIVSA-N 0 1 270.376 2.744 20 30 CFEDMN C[C@H](C(=O)N(C)C1CCCCC1)N1CCC[C@@H](CC#N)C1 ZINC000595609765 349674560 /nfs/dbraw/zinc/67/45/60/349674560.db2.gz OVNJHBYTSOKSIH-CABCVRRESA-N 0 1 291.439 2.792 20 30 CFEDMN CC(C)N(C(=O)[C@H](C)N1CCC[C@@H](CC#N)C1)C(C)C ZINC000595610979 349675054 /nfs/dbraw/zinc/67/50/54/349675054.db2.gz FHYQRLFAMCHBTQ-GJZGRUSLSA-N 0 1 279.428 2.646 20 30 CFEDMN C=CCN(CC(=O)Nc1cc(C)on1)CC1CCCCC1 ZINC000069859857 346902514 /nfs/dbraw/zinc/90/25/14/346902514.db2.gz ACLTZYNIVSAVFM-UHFFFAOYSA-N 0 1 291.395 2.990 20 30 CFEDMN N#Cc1cc(Cl)ccc1CN[C@@H]1C[C@@H](O)C12CCC2 ZINC000595781502 349731761 /nfs/dbraw/zinc/73/17/61/349731761.db2.gz LGLHXQGKRWOKRV-ZIAGYGMSSA-N 0 1 276.767 2.605 20 30 CFEDMN CC(C)(C#N)CCCN1CCOc2ccc(O)cc2C1 ZINC000595846164 349754157 /nfs/dbraw/zinc/75/41/57/349754157.db2.gz VXRJPGPZFSHZRO-UHFFFAOYSA-N 0 1 274.364 2.917 20 30 CFEDMN C[NH+](C)C1(CN=c2[n-]c(C#N)c(Cl)s2)CCCCC1 ZINC000596053461 349782761 /nfs/dbraw/zinc/78/27/61/349782761.db2.gz GCHFFUIBWDXUOH-UHFFFAOYSA-N 0 1 298.843 2.766 20 30 CFEDMN CC[C@H](C(=O)Nc1cc(C#N)ccc1OC(C)C)N(C)C ZINC000413236864 529619115 /nfs/dbraw/zinc/61/91/15/529619115.db2.gz XHRXDDIADWSJLZ-CQSZACIVSA-N 0 1 289.379 2.624 20 30 CFEDMN C=C(C)CN1CCC(Nc2nc(C#N)c(Cl)s2)CC1 ZINC000596115145 349797974 /nfs/dbraw/zinc/79/79/74/349797974.db2.gz KPIAYWCABDSRIS-UHFFFAOYSA-N 0 1 296.827 2.542 20 30 CFEDMN CCC[C@@]1(C)CCCN([C@H](C(N)=O)c2ccc(C#N)cc2)C1 ZINC000072896280 346947635 /nfs/dbraw/zinc/94/76/35/346947635.db2.gz JQECKKCFEQSLRS-WMZOPIPTSA-N 0 1 299.418 2.987 20 30 CFEDMN N#Cc1nc(N[C@H](CO)CC2CCCCC2)sc1Cl ZINC000596276571 349850760 /nfs/dbraw/zinc/85/07/60/349850760.db2.gz DMUBGUHYXYZICE-JTQLQIEISA-N 0 1 299.827 2.833 20 30 CFEDMN CC(C)(C)N1CC[C@@H]1CNc1c(C#N)cccc1[N+](=O)[O-] ZINC000596309255 349859276 /nfs/dbraw/zinc/85/92/76/349859276.db2.gz QWOWHVWZEIELFP-GFCCVEGCSA-N 0 1 288.351 2.751 20 30 CFEDMN CC[C@@H](Nc1nc(C#N)c(Cl)s1)[C@H]1CCCCO1 ZINC000596296987 349855528 /nfs/dbraw/zinc/85/55/28/349855528.db2.gz ORNUQUTXDRKQRS-PSASIEDQSA-N 0 1 285.800 2.850 20 30 CFEDMN CC(C)(C)[N@@H+]1CC[C@@H](CN=c2[n-]c(C#N)c(Cl)s2)C1 ZINC000596306783 349858299 /nfs/dbraw/zinc/85/82/99/349858299.db2.gz IAICROOUVXJRSK-VIFPVBQESA-N 0 1 298.843 2.622 20 30 CFEDMN CC(C)(C)[N@H+]1CC[C@@H](CN=c2[n-]c(C#N)c(Cl)s2)C1 ZINC000596306783 349858306 /nfs/dbraw/zinc/85/83/06/349858306.db2.gz IAICROOUVXJRSK-VIFPVBQESA-N 0 1 298.843 2.622 20 30 CFEDMN CN(CC(=O)Nc1ccc2nc[nH]c2c1)[C@@H]1CCSC1 ZINC000329111130 529852705 /nfs/dbraw/zinc/85/27/05/529852705.db2.gz GPGPCAMLDSIIRB-LLVKDONJSA-N 0 1 290.392 2.588 20 30 CFEDMN C=CCOCCNCc1ccc(F)cc1Br ZINC000303551865 539474024 /nfs/dbraw/zinc/47/40/24/539474024.db2.gz SPZBBWLKSANXMB-UHFFFAOYSA-N 0 1 288.160 2.880 20 30 CFEDMN C=CCOCCNCc1cc(F)ccc1Br ZINC000303551027 539474105 /nfs/dbraw/zinc/47/41/05/539474105.db2.gz PUUFWLSRMRHDCX-UHFFFAOYSA-N 0 1 288.160 2.880 20 30 CFEDMN N#Cc1cccnc1NC[C@H]1CCN1Cc1ccccc1 ZINC000596552094 349939808 /nfs/dbraw/zinc/93/98/08/349939808.db2.gz LDLNFHPKZSMNDJ-MRXNPFEDSA-N 0 1 278.359 2.640 20 30 CFEDMN N#Cc1cnc(NC[C@H]2CCN2Cc2ccccc2)c(F)c1 ZINC000596559468 349941417 /nfs/dbraw/zinc/94/14/17/349941417.db2.gz ZDOSLEUHGOGKTC-OAHLLOKOSA-N 0 1 296.349 2.779 20 30 CFEDMN C=C(C)[C@@H](CO)N1CCC[C@@H](C(=O)c2ccc(F)cc2)C1 ZINC000677047461 539531056 /nfs/dbraw/zinc/53/10/56/539531056.db2.gz BMWQBBSHLYQZIR-GDBMZVCRSA-N 0 1 291.366 2.657 20 30 CFEDMN CN(Cc1ccc(C#N)cc1)Cc1ccc2c(c1)OCO2 ZINC000015369741 346236047 /nfs/dbraw/zinc/23/60/47/346236047.db2.gz BPXVZSJEQIUGHA-UHFFFAOYSA-N 0 1 280.327 2.919 20 30 CFEDMN C=CC[C@H]1CCCN(Cc2cn(C3CCC3)nn2)C1 ZINC000668493202 539534779 /nfs/dbraw/zinc/53/47/79/539534779.db2.gz KUGBWNAKOQEGDH-ZDUSSCGKSA-N 0 1 260.385 2.791 20 30 CFEDMN Cc1ccccc1CN1CCN(c2cc(C#N)ccn2)CC1 ZINC000029447689 346281590 /nfs/dbraw/zinc/28/15/90/346281590.db2.gz XPFMARZCVIFZIO-UHFFFAOYSA-N 0 1 292.386 2.584 20 30 CFEDMN C=CC[C@@H]1CCCN(Cc2cc(COC)on2)C1 ZINC000668494385 539535177 /nfs/dbraw/zinc/53/51/77/539535177.db2.gz YPRVUGAATZOCAB-GFCCVEGCSA-N 0 1 250.342 2.609 20 30 CFEDMN Cc1cc(C(C#N)C(=O)c2cccs2)nc(C)n1 ZINC000041574175 346352564 /nfs/dbraw/zinc/35/25/64/346352564.db2.gz IGOMDZBWAHWEFZ-SNVBAGLBSA-N 0 1 257.318 2.645 20 30 CFEDMN CC[C@H]1CCCCN1CC(=O)NC1(C#N)CCCCC1 ZINC000042978543 346375284 /nfs/dbraw/zinc/37/52/84/346375284.db2.gz SSZHPOHIFWHXJO-AWEZNQCLSA-N 0 1 277.412 2.594 20 30 CFEDMN CC(C)[C@](C)(C#N)NC(=O)CN(C)[C@@H](C)c1ccccc1 ZINC000048434047 346473707 /nfs/dbraw/zinc/47/37/07/346473707.db2.gz HFLIXQNIMPBISX-YOEHRIQHSA-N 0 1 287.407 2.734 20 30 CFEDMN CC(C)c1cc(C(=O)N(C)Cc2ccc(C#N)cc2)n[nH]1 ZINC000052512617 346523520 /nfs/dbraw/zinc/52/35/20/346523520.db2.gz TWRLUDFTPSEJER-UHFFFAOYSA-N 0 1 282.347 2.677 20 30 CFEDMN CC(C)(C)C[N@@H+](CC(=O)[O-])Cc1ccc(C#N)s1 ZINC000596656633 349970235 /nfs/dbraw/zinc/97/02/35/349970235.db2.gz NHAIDPMWVMNFSC-UHFFFAOYSA-N 0 1 266.366 2.552 20 30 CFEDMN CC(C)CN1CCN(C(=O)CC2(C#N)CCCCC2)CC1 ZINC000596674912 349972235 /nfs/dbraw/zinc/97/22/35/349972235.db2.gz YKWVKWBLVIHWGP-UHFFFAOYSA-N 0 1 291.439 2.651 20 30 CFEDMN C=C(C)CN(CC)CC(=O)N1[C@H](C)CCC[C@@H]1C ZINC000052890447 346531907 /nfs/dbraw/zinc/53/19/07/346531907.db2.gz PLDBXPLGHJDEIN-OKILXGFUSA-N 0 1 252.402 2.674 20 30 CFEDMN C#CCN(Cc1ccc(OC(F)F)c(OC)c1)C1CC1 ZINC000053137806 346538756 /nfs/dbraw/zinc/53/87/56/346538756.db2.gz JLFJCDMLFCCCST-UHFFFAOYSA-N 0 1 281.302 2.894 20 30 CFEDMN CCN1C[C@H](CN(C)CCCC#N)Oc2ccccc21 ZINC000057624784 346633126 /nfs/dbraw/zinc/63/31/26/346633126.db2.gz YORANXRXUQUZHK-AWEZNQCLSA-N 0 1 273.380 2.509 20 30 CFEDMN C=C(C)CN(CC)CC(=O)N[C@@H](C)c1ccccc1 ZINC000057847900 346638633 /nfs/dbraw/zinc/63/86/33/346638633.db2.gz BXONSCADIYWCSQ-AWEZNQCLSA-N 0 1 260.381 2.762 20 30 CFEDMN N#Cc1ccc(CN2CCCC[C@H]2C(=O)N2CCCC2)cc1 ZINC000063517039 346702993 /nfs/dbraw/zinc/70/29/93/346702993.db2.gz ISWLXYAJDVWYJL-KRWDZBQOSA-N 0 1 297.402 2.535 20 30 CFEDMN CCN(CC)CC(=O)N(CCC#N)c1cc(C)cc(C)c1 ZINC000061757324 346682278 /nfs/dbraw/zinc/68/22/78/346682278.db2.gz QUVDKGHUPQOZGB-UHFFFAOYSA-N 0 1 287.407 2.892 20 30 CFEDMN CC(C)(C)c1ccc([C@H]2CCCN2CC(=O)NCC#N)cc1 ZINC000066494957 346765094 /nfs/dbraw/zinc/76/50/94/346765094.db2.gz JRMSTJLVBPMNLG-MRXNPFEDSA-N 0 1 299.418 2.761 20 30 CFEDMN CC(C)CN(C)CC(=O)N(CCC#N)c1ccccc1 ZINC000065962540 346745029 /nfs/dbraw/zinc/74/50/29/346745029.db2.gz LGVDJRNMEJDTIC-UHFFFAOYSA-N 0 1 273.380 2.521 20 30 CFEDMN COCC#CCN(C)Cc1ccc(C(F)(F)F)cc1 ZINC000677132692 539552325 /nfs/dbraw/zinc/55/23/25/539552325.db2.gz NCRAWYKRATYIKI-UHFFFAOYSA-N 0 1 271.282 2.787 20 30 CFEDMN N#Cc1ccc(OCCN2CCOc3ccccc3C2)cc1 ZINC000076849159 347156896 /nfs/dbraw/zinc/15/68/96/347156896.db2.gz KTXYMVSCBUVWAR-UHFFFAOYSA-N 0 1 294.354 2.832 20 30 CFEDMN CCC1CCN([C@@H]2CCN(c3ccc(C#N)cc3)C2=O)CC1 ZINC000077212121 347174606 /nfs/dbraw/zinc/17/46/06/347174606.db2.gz QUFLKGCUFBHOHK-QGZVFWFLSA-N 0 1 297.402 2.786 20 30 CFEDMN C[C@@H]1CCCCN1CCNc1snc(Cl)c1C#N ZINC000079914561 347331552 /nfs/dbraw/zinc/33/15/52/347331552.db2.gz WFCBSCHHYMKELI-SECBINFHSA-N 0 1 284.816 2.954 20 30 CFEDMN C#CCCN1CCN(c2nc3ccccc3cc2C)CC1 ZINC000091480348 347588994 /nfs/dbraw/zinc/58/89/94/347588994.db2.gz MDHHRXVRTWXUBS-UHFFFAOYSA-N 0 1 279.387 2.689 20 30 CFEDMN C[C@@H]([C@@H]1Cc2ccccc2O1)N(C)Cc1ccc(C#N)o1 ZINC000092063813 347608156 /nfs/dbraw/zinc/60/81/56/347608156.db2.gz UOSJULYSSWSLRN-SJCJKPOMSA-N 0 1 282.343 2.975 20 30 CFEDMN N#CC1CCN(Cc2cccc(-n3cccn3)c2)CC1 ZINC000123666607 347820872 /nfs/dbraw/zinc/82/08/72/347820872.db2.gz DDCBVPDXYTYVAL-UHFFFAOYSA-N 0 1 266.348 2.608 20 30 CFEDMN C=CC[C@H](C)NC(=O)NC[C@@H](c1cccc(F)c1)N(C)C ZINC000117025897 347790282 /nfs/dbraw/zinc/79/02/82/347790282.db2.gz UOSHPUIFUOTRJQ-WFASDCNBSA-N 0 1 293.386 2.692 20 30 CFEDMN COc1cccc(CNCc2cccc(C#N)c2)c1F ZINC000165809033 348040802 /nfs/dbraw/zinc/04/08/02/348040802.db2.gz QVAIYBFNCKGDET-UHFFFAOYSA-N 0 1 270.307 2.996 20 30 CFEDMN C=CCCCCCN([C@H](C)CS(C)(=O)=O)C1CC1 ZINC000193347841 348142297 /nfs/dbraw/zinc/14/22/97/348142297.db2.gz IHMQVDGZDJJTQP-CYBMUJFWSA-N 0 1 273.442 2.630 20 30 CFEDMN C=CCOc1ccc(CN2CC[C@@]3(O)C[C@H]3C2)cc1Cl ZINC000668599010 539611663 /nfs/dbraw/zinc/61/16/63/539611663.db2.gz QNSWGDWKMQVKPK-XJKSGUPXSA-N 0 1 293.794 2.862 20 30 CFEDMN CCc1ccc(C(=O)Nc2n[nH]c(C3CC3)c2C#N)c(O)c1 ZINC000290606316 348352656 /nfs/dbraw/zinc/35/26/56/348352656.db2.gz ROXGCDOOYMEGCB-UHFFFAOYSA-N 0 1 296.330 2.679 20 30 CFEDMN CCN(CCC#N)C(=O)CN1CCCC[C@@H]1c1ccccc1 ZINC000273876145 348334267 /nfs/dbraw/zinc/33/42/67/348334267.db2.gz RNLVLQZFWXDHIS-QGZVFWFLSA-N 0 1 299.418 2.976 20 30 CFEDMN N#CC1CCN(CCCC(=O)c2ccccc2)CC1 ZINC000297324538 348365340 /nfs/dbraw/zinc/36/53/40/348365340.db2.gz ZTPZOZWNNYJBCR-UHFFFAOYSA-N 0 1 256.349 2.885 20 30 CFEDMN CC[C@H]1CN(Cc2ccc(CC#N)cc2)[C@H](C)CO1 ZINC000403843639 348587559 /nfs/dbraw/zinc/58/75/59/348587559.db2.gz QBVJCFUAJKFXPW-CJNGLKHVSA-N 0 1 258.365 2.752 20 30 CFEDMN COc1ccc(CN2CCC[C@H](OC(C)C)C2)cc1C#N ZINC000404693823 348594228 /nfs/dbraw/zinc/59/42/28/348594228.db2.gz KMQBYGGFROHWFJ-INIZCTEOSA-N 0 1 288.391 2.956 20 30 CFEDMN COc1c(C)cnc(CN2CCC[C@@H](CC#N)C2)c1C ZINC000397725965 348563560 /nfs/dbraw/zinc/56/35/60/348563560.db2.gz YQNWECPPQYPUFF-AWEZNQCLSA-N 0 1 273.380 2.833 20 30 CFEDMN CN(CCc1ccccc1[N+](=O)[O-])Cc1ccnc(C#N)c1 ZINC000586773210 348750714 /nfs/dbraw/zinc/75/07/14/348750714.db2.gz XNGZWDXZPVMDLL-UHFFFAOYSA-N 0 1 296.330 2.536 20 30 CFEDMN CC(C)(CO)[C@H](NCc1ccnc(C#N)c1)c1ccccc1 ZINC000589261987 348823602 /nfs/dbraw/zinc/82/36/02/348823602.db2.gz AWYISJGILUCUCD-QGZVFWFLSA-N 0 1 295.386 2.803 20 30 CFEDMN N#CCCCC(=O)NCc1nc2ccc(Cl)cc2[nH]1 ZINC000589837220 348859373 /nfs/dbraw/zinc/85/93/73/348859373.db2.gz PDNSODCHXAJTHF-UHFFFAOYSA-N 0 1 276.727 2.526 20 30 CFEDMN CO[C@@H]1CCCN(Cc2cccc(F)c2C#N)CC1 ZINC000589990836 348868162 /nfs/dbraw/zinc/86/81/62/348868162.db2.gz OSLHWMOONKAANW-CYBMUJFWSA-N 0 1 262.328 2.698 20 30 CFEDMN C[C@@H](c1ccncc1)N1CC[C@@H](Oc2ccc(C#N)cn2)C1 ZINC000590005506 348868875 /nfs/dbraw/zinc/86/88/75/348868875.db2.gz VRGAATJVXIEWCS-XJKSGUPXSA-N 0 1 294.358 2.563 20 30 CFEDMN N#C[C@@H]1CC[C@H](N2CC(c3nc4ccccc4[nH]3)C2)C1 ZINC000590167684 348882351 /nfs/dbraw/zinc/88/23/51/348882351.db2.gz LTLHLTKPMFGCBW-YPMHNXCESA-N 0 1 266.348 2.654 20 30 CFEDMN N#Cc1cc(CN2CCC[C@@H](c3ccncc3)C2)ccn1 ZINC000590741207 348940458 /nfs/dbraw/zinc/94/04/58/348940458.db2.gz KSBLLDGGVSIGEP-MRXNPFEDSA-N 0 1 278.359 2.728 20 30 CFEDMN COC(=O)[C@@H]1CCC[C@@H]1NCc1ccc(Cl)cc1C#N ZINC000590752445 348942978 /nfs/dbraw/zinc/94/29/78/348942978.db2.gz TWRBYCRLFLLWBW-KGLIPLIRSA-N 0 1 292.766 2.643 20 30 CFEDMN Cc1cc2[nH]ncc2cc1NC(=O)c1ncc(C#N)cc1C ZINC000590340743 348895744 /nfs/dbraw/zinc/89/57/44/348895744.db2.gz PYSHVFOJGRMVCC-UHFFFAOYSA-N 0 1 291.314 2.699 20 30 CFEDMN C[C@H]1Cc2cn[nH]c2[C@@H](C(=O)Nc2ccc(CC#N)cc2)C1 ZINC000590416537 348900109 /nfs/dbraw/zinc/90/01/09/348900109.db2.gz IXMMJCXTKSEZPZ-NHYWBVRUSA-N 0 1 294.358 2.780 20 30 CFEDMN C[C@H]1Cc2cn[nH]c2[C@@H](C(=O)Nc2ccc(F)c(C#N)c2)C1 ZINC000590429708 348900714 /nfs/dbraw/zinc/90/07/14/348900714.db2.gz SYLPXOJVHUASNE-ZANVPECISA-N 0 1 298.321 2.725 20 30 CFEDMN CC[N@H+]1CCN(CCC2(C#N)CCCCC2)C[C@H]1C ZINC000591021146 348979248 /nfs/dbraw/zinc/97/92/48/348979248.db2.gz SVJOTFVBKYEEGP-OAHLLOKOSA-N 0 1 263.429 2.877 20 30 CFEDMN N#Cc1cccc(NC(=O)CN2CC[C@H](C3CCC3)C2)c1 ZINC000591062065 348983172 /nfs/dbraw/zinc/98/31/72/348983172.db2.gz UIVXDSICJLIORV-HNNXBMFYSA-N 0 1 283.375 2.619 20 30 CFEDMN N#Cc1cccc([N+](=O)[O-])c1CN1CCC[C@H]1C1CC1 ZINC000590951896 348971538 /nfs/dbraw/zinc/97/15/38/348971538.db2.gz OAFWCLNUAGTWPR-AWEZNQCLSA-N 0 1 271.320 2.841 20 30 CFEDMN CN1CCCC[C@@H]1C(=O)N[C@H]1CCCc2cc(C#N)ccc21 ZINC000591322955 349009639 /nfs/dbraw/zinc/00/96/39/349009639.db2.gz ZJBHTOPMXQIOGS-DLBZAZTESA-N 0 1 297.402 2.536 20 30 CFEDMN Cc1cccc(NC(=O)C[C@H](C)NCC2(C#N)CCC2)c1 ZINC000591357612 349011701 /nfs/dbraw/zinc/01/17/01/349011701.db2.gz DDSKBGKVNHNISD-AWEZNQCLSA-N 0 1 285.391 2.996 20 30 CFEDMN CCn1cncc1CN[C@@H](C)c1cccc(C#N)c1 ZINC000591355325 349011719 /nfs/dbraw/zinc/01/17/19/349011719.db2.gz JEOYHQDKCOSTGW-LBPRGKRZSA-N 0 1 254.337 2.625 20 30 CFEDMN N#Cc1cnccc1CN1CCc2ccccc2CC1 ZINC000592068875 349078533 /nfs/dbraw/zinc/07/85/33/349078533.db2.gz KBLPPLVSZWJXDT-UHFFFAOYSA-N 0 1 263.344 2.554 20 30 CFEDMN CCCN(Cc1ccncc1C#N)[C@@H]1[C@H]2CCO[C@@H]2C1(C)C ZINC000592072067 349079735 /nfs/dbraw/zinc/07/97/35/349079735.db2.gz IFPLIGCLXLDTAX-ZACQAIPSSA-N 0 1 299.418 2.979 20 30 CFEDMN Cc1nn(C)c(C)c1NC(=O)CN1CCC[C@@H](C2CC2)C1 ZINC000329670741 539719253 /nfs/dbraw/zinc/71/92/53/539719253.db2.gz TUSJWCVKOLFVPZ-CQSZACIVSA-N 0 1 290.411 2.747 20 30 CFEDMN CC(C)O[C@@H]1CCN(Cc2ccc(C#N)c(F)c2)C1 ZINC000592133323 349089276 /nfs/dbraw/zinc/08/92/76/349089276.db2.gz PZGWNXVMDZYCRJ-CQSZACIVSA-N 0 1 262.328 2.697 20 30 CFEDMN N#CC1(CN(Cc2ccccc2)[C@H](CO)C2CCC2)CC1 ZINC000592139551 349090362 /nfs/dbraw/zinc/09/03/62/349090362.db2.gz OMGXEHQCGFZDFS-QGZVFWFLSA-N 0 1 284.403 2.953 20 30 CFEDMN N#CC[C@@]1(O)CCN(CCOc2ccc3ccccc3c2)C1 ZINC000592145513 349090517 /nfs/dbraw/zinc/09/05/17/349090517.db2.gz WSGMAVCQFJBAAO-GOSISDBHSA-N 0 1 296.370 2.569 20 30 CFEDMN Cc1cc(C#N)ccc1CN1CCOC[C@@H]1C1CCC1 ZINC000592153472 349092284 /nfs/dbraw/zinc/09/22/84/349092284.db2.gz AWIRFPARQHMVAK-QGZVFWFLSA-N 0 1 270.376 2.868 20 30 CFEDMN CC(C)COc1ccccc1CN1CC[C@](O)(CC#N)C1 ZINC000592151776 349092804 /nfs/dbraw/zinc/09/28/04/349092804.db2.gz REWBSODLUYNLLP-QGZVFWFLSA-N 0 1 288.391 2.572 20 30 CFEDMN N#CC1(CN2CCC[C@@H](O)[C@H]2CCc2ccccc2)CC1 ZINC000592165158 349094569 /nfs/dbraw/zinc/09/45/69/349094569.db2.gz AEGCAZCJTCJNAD-IAGOWNOFSA-N 0 1 284.403 2.748 20 30 CFEDMN C[C@@H](N[C@@H]1CC[C@H](C#N)C1)c1cc2n(n1)CCCC2 ZINC000592391080 349113488 /nfs/dbraw/zinc/11/34/88/349113488.db2.gz SXHYFHVKFJHVKB-FRRDWIJNSA-N 0 1 258.369 2.562 20 30 CFEDMN C[C@@H](CCO)N(C)Cc1ccc(Br)cc1C#N ZINC000593107895 349210380 /nfs/dbraw/zinc/21/03/80/349210380.db2.gz KCFWCZPOOOIFQR-JTQLQIEISA-N 0 1 297.196 2.523 20 30 CFEDMN CC(=Cc1cccc2c1CCC2)c1nc(C)c(C#N)c(=O)[nH]1 ZINC000593165659 349221848 /nfs/dbraw/zinc/22/18/48/349221848.db2.gz RUEBWYOFMAFWAS-PKNBQFBNSA-N 0 1 291.354 2.999 20 30 CFEDMN CCN(Cc1ccc(C#N)cc1OC)[C@H]1CCCOC1 ZINC000593069222 349201230 /nfs/dbraw/zinc/20/12/30/349201230.db2.gz IEQHAWYSHXTFMD-HNNXBMFYSA-N 0 1 274.364 2.568 20 30 CFEDMN N#CCCCCC(=O)Nc1ccc(-c2nnc[nH]2)cc1F ZINC000594014049 349353699 /nfs/dbraw/zinc/35/36/99/349353699.db2.gz GDMYCHZMVYXOGZ-UHFFFAOYSA-N 0 1 287.298 2.633 20 30 CFEDMN N#CCCCCC(=O)Nc1ccc(F)c(-c2nc[nH]n2)c1 ZINC000594014129 349353800 /nfs/dbraw/zinc/35/38/00/349353800.db2.gz KJFDRDNTMYKMJY-UHFFFAOYSA-N 0 1 287.298 2.633 20 30 CFEDMN CC(C)CCN(CCC#N)C(=O)CN1CCC(C)(C)C1 ZINC000594280093 349404201 /nfs/dbraw/zinc/40/42/01/349404201.db2.gz LFXXTQQVCWDJJQ-UHFFFAOYSA-N 0 1 279.428 2.507 20 30 CFEDMN C[C@H]1[C@H](C)[N@@H+](Cc2ccc(C3(C#N)CC3)cc2)CCN1C ZINC000597086860 350027898 /nfs/dbraw/zinc/02/78/98/350027898.db2.gz BXTIPKFGEHUEES-GJZGRUSLSA-N 0 1 283.419 2.766 20 30 CFEDMN CCCCCc1cc(C(=O)N(CCC#N)CC2CC2)n[nH]1 ZINC000597141306 350037904 /nfs/dbraw/zinc/03/79/04/350037904.db2.gz ICAASDCFXIXBMS-UHFFFAOYSA-N 0 1 288.395 2.908 20 30 CFEDMN CCc1cccc2cc(CN3CC[C@@](O)(CC#N)C3)oc21 ZINC000597158866 350041570 /nfs/dbraw/zinc/04/15/70/350041570.db2.gz ZMGUEAQLZZVHKA-KRWDZBQOSA-N 0 1 284.359 2.846 20 30 CFEDMN N#CC[C@H]1CCCN(Cc2ccc(-n3cncn3)c(F)c2)C1 ZINC000597175287 350044223 /nfs/dbraw/zinc/04/42/23/350044223.db2.gz XVFWYNICBMMHBS-CYBMUJFWSA-N 0 1 299.353 2.532 20 30 CFEDMN COC(=O)C(C)(C)CCNCC1(C#N)CCCCC1 ZINC000597225713 350062669 /nfs/dbraw/zinc/06/26/69/350062669.db2.gz TXLRJWCMVUQPNI-UHFFFAOYSA-N 0 1 266.385 2.639 20 30 CFEDMN N#Cc1ccc(CN2CCC(c3ccncn3)CC2)s1 ZINC000414472214 233261766 /nfs/dbraw/zinc/26/17/66/233261766.db2.gz RCXIAOFFJCPMPJ-UHFFFAOYSA-N 0 1 284.388 2.789 20 30 CFEDMN C[C@@]1(C#N)CCN(C[C@H]2CCOc3ccccc32)C1 ZINC000597232905 350066366 /nfs/dbraw/zinc/06/63/66/350066366.db2.gz YDJGHOBFHNVKKN-CJNGLKHVSA-N 0 1 256.349 2.788 20 30 CFEDMN C=CCOc1ccc(CN2CCC[C@H](OC)C2)cc1OC ZINC000091772596 180248920 /nfs/dbraw/zinc/24/89/20/180248920.db2.gz JMAGRTKKQFMBKA-HNNXBMFYSA-N 0 1 291.391 2.871 20 30 CFEDMN C[C@@]1(C#N)CCN(C(=O)C(C#N)CCc2ccccc2)C1 ZINC000598415704 350263438 /nfs/dbraw/zinc/26/34/38/350263438.db2.gz VDRODQTYATWCDR-WBVHZDCISA-N 0 1 281.359 2.521 20 30 CFEDMN COc1nc(C)cc(C)c1CN(C)[C@@H]1CC[C@H](C#N)C1 ZINC000598648754 350302063 /nfs/dbraw/zinc/30/20/63/350302063.db2.gz KMKQBZFCUYOWOS-UONOGXRCSA-N 0 1 273.380 2.831 20 30 CFEDMN C[C@@H]1CCN(Cc2ccc(C#N)cc2Cl)C[C@@H]1CO ZINC000598649160 350302374 /nfs/dbraw/zinc/30/23/74/350302374.db2.gz WXVNMKHARODATC-BXUZGUMPSA-N 0 1 278.783 2.662 20 30 CFEDMN CC1(C)CC[C@@H](CO)N(Cc2cccc(C#N)c2F)C1 ZINC000598649297 350302461 /nfs/dbraw/zinc/30/24/61/350302461.db2.gz SYMACUCTJJAYGB-AWEZNQCLSA-N 0 1 276.355 2.680 20 30 CFEDMN CC1(C)CC[C@H](CO)N(Cc2ccccc2C#N)C1 ZINC000598650055 350303348 /nfs/dbraw/zinc/30/33/48/350303348.db2.gz YCGMZJVMIDJKRB-OAHLLOKOSA-N 0 1 258.365 2.541 20 30 CFEDMN CC(C)(C#N)C[C@@H](O)CNCc1cc(-c2ccccc2)on1 ZINC000598721672 350318865 /nfs/dbraw/zinc/31/88/65/350318865.db2.gz YBUTVYASODFSSA-OAHLLOKOSA-N 0 1 299.374 2.732 20 30 CFEDMN COc1cccc(Cl)c1CNC[C@@H](O)CC(C)(C)C#N ZINC000598724839 350319382 /nfs/dbraw/zinc/31/93/82/350319382.db2.gz RPJMQXHVCQGNRG-NSHDSACASA-N 0 1 296.798 2.739 20 30 CFEDMN Cc1csc([C@H]2CCCN2C[C@@H](O)CC(C)(C)C#N)n1 ZINC000598590134 350287305 /nfs/dbraw/zinc/28/73/05/350287305.db2.gz KRJOOQPIHPKVTB-QWHCGFSZSA-N 0 1 293.436 2.889 20 30 CFEDMN CC(C)(C#N)C[C@@H](O)CN1CCO[C@@H](C2CCCCC2)C1 ZINC000598604662 350292170 /nfs/dbraw/zinc/29/21/70/350292170.db2.gz OZWAKINUSTWLKD-HZPDHXFCSA-N 0 1 294.439 2.568 20 30 CFEDMN CCc1nc([C@H](C)NC[C@@H](O)CC(C)(C)C#N)cs1 ZINC000598612965 350293368 /nfs/dbraw/zinc/29/33/68/350293368.db2.gz TUJCZKFZXMJSAZ-QWRGUYRKSA-N 0 1 281.425 2.657 20 30 CFEDMN Cc1cc(C#N)cc(NC(=O)[C@@H]2C[C@@H](C)Cc3cn[nH]c32)c1 ZINC000598936865 350347630 /nfs/dbraw/zinc/34/76/30/350347630.db2.gz DPVNTZMQZWFTHM-XHDPSFHLSA-N 0 1 294.358 2.894 20 30 CFEDMN Cc1cc(CNCC2(CC#N)CC2)ncc1Br ZINC000598976647 350352428 /nfs/dbraw/zinc/35/24/28/350352428.db2.gz YZIJIPHXIMHSHU-UHFFFAOYSA-N 0 1 294.196 2.936 20 30 CFEDMN Cc1ccc(CN[C@](C)(CO)c2ccccc2)cc1C#N ZINC000599286116 350407460 /nfs/dbraw/zinc/40/74/60/350407460.db2.gz CWBQOPFQVSBXFR-GOSISDBHSA-N 0 1 280.371 2.864 20 30 CFEDMN COc1cccc(F)c1[C@H](C)NC[C@H](O)CC1(C#N)CC1 ZINC000599355912 350422564 /nfs/dbraw/zinc/42/25/64/350422564.db2.gz KBRDFWSEGXRKMJ-NWDGAFQWSA-N 0 1 292.354 2.540 20 30 CFEDMN Cc1ccc(CNC(C)(C)c2cnn(C)c2)cc1C#N ZINC000599361909 350424882 /nfs/dbraw/zinc/42/48/82/350424882.db2.gz GWAXMIMGOLWPJP-UHFFFAOYSA-N 0 1 268.364 2.625 20 30 CFEDMN CCC(C#N)(CC)C(=O)NCC[N@@H+]1[C@H](C)CCC[C@@H]1C ZINC000599385543 350428890 /nfs/dbraw/zinc/42/88/90/350428890.db2.gz RKODRRCYFHFVLI-OKILXGFUSA-N 0 1 279.428 2.695 20 30 CFEDMN CCc1nnc(SCc2ccc(C)c(C#N)c2)[nH]1 ZINC000600514328 350561778 /nfs/dbraw/zinc/56/17/78/350561778.db2.gz JRESOALBZWJHLO-UHFFFAOYSA-N 0 1 258.350 2.840 20 30 CFEDMN CCc1n[nH]c(SCc2ccc(C)c(C#N)c2)n1 ZINC000600514328 350561782 /nfs/dbraw/zinc/56/17/82/350561782.db2.gz JRESOALBZWJHLO-UHFFFAOYSA-N 0 1 258.350 2.840 20 30 CFEDMN CCC(CC)c1cc(CNC[C@@H](O)CC2(C#N)CC2)on1 ZINC000600727620 350602233 /nfs/dbraw/zinc/60/22/33/350602233.db2.gz YLMIOEDWADDNJC-ZDUSSCGKSA-N 0 1 291.395 2.723 20 30 CFEDMN C[C@@H](C#N)n1cc(-c2ccc(CN(C)C)c(F)c2)cn1 ZINC000600777820 350609738 /nfs/dbraw/zinc/60/97/38/350609738.db2.gz UFVDSKUVXAMDMB-NSHDSACASA-N 0 1 272.327 2.835 20 30 CFEDMN COc1ccc(-c2ccc([C@H]3COCCN3)cc2)cc1C#N ZINC000600787718 350611466 /nfs/dbraw/zinc/61/14/66/350611466.db2.gz DIBADVGJWQCMRK-QGZVFWFLSA-N 0 1 294.354 2.895 20 30 CFEDMN N#CCC1(CNCc2ccncc2Br)CC1 ZINC000601122464 350674670 /nfs/dbraw/zinc/67/46/70/350674670.db2.gz XNZDLYLXBNNZOO-UHFFFAOYSA-N 0 1 280.169 2.628 20 30 CFEDMN CC1(C)CCC[C@@](O)(CNCc2nc(C#N)cs2)CC1 ZINC000601141702 350680472 /nfs/dbraw/zinc/68/04/72/350680472.db2.gz PFSPYTSCRKLKJA-HNNXBMFYSA-N 0 1 293.436 2.826 20 30 CFEDMN CC1(C)CCC[C@](O)(CNCc2nc(C#N)cs2)CC1 ZINC000601141703 350680636 /nfs/dbraw/zinc/68/06/36/350680636.db2.gz PFSPYTSCRKLKJA-OAHLLOKOSA-N 0 1 293.436 2.826 20 30 CFEDMN C[C@@H](NCc1ccc(C2(C#N)CC2)cc1)[C@H](O)C(F)(F)F ZINC000601152534 350683085 /nfs/dbraw/zinc/68/30/85/350683085.db2.gz FKHFGCORRWMMDZ-MFKMUULPSA-N 0 1 298.308 2.643 20 30 CFEDMN N#Cc1csc(CNCC2([C@H]3CCCCO3)CCC2)n1 ZINC000601156125 350684473 /nfs/dbraw/zinc/68/44/73/350684473.db2.gz RRWBALFPXNBQMX-CYBMUJFWSA-N 0 1 291.420 2.844 20 30 CFEDMN Cc1cc(CN2CCO[C@H](C(F)F)CC2)ccc1C#N ZINC000601970458 350821711 /nfs/dbraw/zinc/82/17/11/350821711.db2.gz JDJDGMLRANZOER-AWEZNQCLSA-N 0 1 280.318 2.723 20 30 CFEDMN CN(C(=O)c1ccc(O)c(Cl)c1)[C@H]1CCC[C@H]1C#N ZINC000601824184 350787160 /nfs/dbraw/zinc/78/71/60/350787160.db2.gz UKUSIKXGCMSYMC-JQWIXIFHSA-N 0 1 278.739 2.810 20 30 CFEDMN Cc1[nH]n(-c2cc([N+](=O)[O-])ccc2C)c(=O)c1CCC#N ZINC000601937146 350809185 /nfs/dbraw/zinc/80/91/85/350809185.db2.gz ZOABRBVQVUZHMJ-LBPRGKRZSA-N 0 1 286.291 2.546 20 30 CFEDMN Cc1[nH]n(-c2ccc(OC(F)F)cc2)c(=O)c1CCC#N ZINC000601939567 350809963 /nfs/dbraw/zinc/80/99/63/350809963.db2.gz MPHBBRAVRRRACB-GFCCVEGCSA-N 0 1 293.273 2.930 20 30 CFEDMN N#Cc1c(F)cccc1CNC[C@@H](CO)Cc1ccccc1 ZINC000602008298 350829908 /nfs/dbraw/zinc/82/99/08/350829908.db2.gz SZCHSIPNQHDTRT-HNNXBMFYSA-N 0 1 298.361 2.638 20 30 CFEDMN CC[C@H](C)C[C@@H](CO)NCc1cccc(F)c1C#N ZINC000602020645 350833892 /nfs/dbraw/zinc/83/38/92/350833892.db2.gz QLPRWDKZTITAII-AAEUAGOBSA-N 0 1 264.344 2.584 20 30 CFEDMN CO[C@@H]([C@@H](C)NCc1cccc(F)c1C#N)C1CC1 ZINC000602022752 350834206 /nfs/dbraw/zinc/83/42/06/350834206.db2.gz HAMDQZOSNNFVLU-BMIGLBTASA-N 0 1 262.328 2.600 20 30 CFEDMN N#Cc1c(F)cccc1CNC[C@H](CO)C1CCCCC1 ZINC000602026488 350834796 /nfs/dbraw/zinc/83/47/96/350834796.db2.gz WUTAAKMSSIWIGE-OAHLLOKOSA-N 0 1 290.382 2.976 20 30 CFEDMN C[C@@H](c1cccc(C#N)c1)N(C)C(=O)[C@@H]1C[C@H]1c1cnc[nH]1 ZINC000602166099 350848611 /nfs/dbraw/zinc/84/86/11/350848611.db2.gz KHCXYJOKYRQDDJ-NILFDRSVSA-N 0 1 294.358 2.604 20 30 CFEDMN CN(CC(=O)Nc1cc(Cl)ccc1C#N)CC1CCC1 ZINC000111296856 186391500 /nfs/dbraw/zinc/39/15/00/186391500.db2.gz OPSZQUJRLKGYIA-UHFFFAOYSA-N 0 1 291.782 2.882 20 30 CFEDMN N#Cc1cccc(CN[C@H]2CCc3c2cccc3F)n1 ZINC000602522405 350913997 /nfs/dbraw/zinc/91/39/97/350913997.db2.gz TYWIBXIEBPCNCC-INIZCTEOSA-N 0 1 267.307 2.869 20 30 CFEDMN CC(C)c1cc(CN[C@H](C)CC2(C#N)CCOCC2)on1 ZINC000602544686 350919183 /nfs/dbraw/zinc/91/91/83/350919183.db2.gz JZQDHKLCTJHDCT-CYBMUJFWSA-N 0 1 291.395 2.987 20 30 CFEDMN Cc1cnc(CN[C@H](C)CC2(C#N)CCOCC2)s1 ZINC000602545520 350919283 /nfs/dbraw/zinc/91/92/83/350919283.db2.gz DWNUVOMSYXMFLT-LLVKDONJSA-N 0 1 279.409 2.640 20 30 CFEDMN CC[C@H](NCc1cccc(C#N)n1)c1c(C)nn(C)c1C ZINC000602560884 350924552 /nfs/dbraw/zinc/92/45/52/350924552.db2.gz AERUQYWWGHICIM-HNNXBMFYSA-N 0 1 283.379 2.545 20 30 CFEDMN COC(=O)c1[nH]c(CN[C@H](C)c2cccc(C#N)c2)cc1C ZINC000602564381 350925616 /nfs/dbraw/zinc/92/56/16/350925616.db2.gz FHCTUFXJGFSGAB-GFCCVEGCSA-N 0 1 297.358 2.832 20 30 CFEDMN CN(CCOc1ccccc1F)Cc1cccc(C#N)n1 ZINC000602433860 350880375 /nfs/dbraw/zinc/88/03/75/350880375.db2.gz FJVJIWFQJMADJQ-UHFFFAOYSA-N 0 1 285.322 2.603 20 30 CFEDMN CCN(C[C@@H](C)C#N)C[C@H]1CCN(c2ccccc2)C1 ZINC000602448512 350887290 /nfs/dbraw/zinc/88/72/90/350887290.db2.gz VQOSBUCBMOXEFZ-JKSUJKDBSA-N 0 1 271.408 2.994 20 30 CFEDMN C[C@H](CC#N)N(C)C[C@@H]1CCN(c2ccccc2)C1 ZINC000602460694 350890609 /nfs/dbraw/zinc/89/06/09/350890609.db2.gz ASSWAYAPEGNIFA-CABCVRRESA-N 0 1 257.381 2.747 20 30 CFEDMN C[C@@H](CCC#N)CN(C)Cc1nccn1CC(F)(F)F ZINC000602460506 350890701 /nfs/dbraw/zinc/89/07/01/350890701.db2.gz UBJZMZFNFIWVKP-NSHDSACASA-N 0 1 288.317 2.817 20 30 CFEDMN N#Cc1cccc(CN2CCC(Cc3cccnc3)CC2)n1 ZINC000602592559 350938954 /nfs/dbraw/zinc/93/89/54/350938954.db2.gz TWEVOJVXMYSBMZ-UHFFFAOYSA-N 0 1 292.386 2.803 20 30 CFEDMN N#Cc1cccc(CN2CC3(CCC3)[C@@H]2C2CC2)n1 ZINC000602665411 350967883 /nfs/dbraw/zinc/96/78/83/350967883.db2.gz BDNHWJPGVOCOEX-HNNXBMFYSA-N 0 1 253.349 2.718 20 30 CFEDMN C[C@@H](CCC#N)CN1CCN(c2ccsc2C#N)CC1 ZINC000602706839 350991227 /nfs/dbraw/zinc/99/12/27/350991227.db2.gz MTSCZQIRZBCGST-ZDUSSCGKSA-N 0 1 288.420 2.682 20 30 CFEDMN Cc1ncc([C@H](C)N2CCC[C@@H](CC#N)C2)c(C)n1 ZINC000602710865 350993228 /nfs/dbraw/zinc/99/32/28/350993228.db2.gz ZAMUBILFYQHBLD-JSGCOSHPSA-N 0 1 258.369 2.780 20 30 CFEDMN C=CC[C@@H]1CCCN(Cc2cc(C(=O)OCC)no2)C1 ZINC000602712071 350993836 /nfs/dbraw/zinc/99/38/36/350993836.db2.gz XSNCMRDFLRRFJC-GFCCVEGCSA-N 0 1 278.352 2.639 20 30 CFEDMN CC(C)[C@H](O)[C@@H](NCc1cccc(C#N)n1)c1ccccc1 ZINC000602713365 350995065 /nfs/dbraw/zinc/99/50/65/350995065.db2.gz LXJGDTSCWJWUPK-ROUUACIJSA-N 0 1 295.386 2.801 20 30 CFEDMN N#CC1(CNCc2ccc(CO)cc2)CCCCC1 ZINC000602718057 350997682 /nfs/dbraw/zinc/99/76/82/350997682.db2.gz OZQPNVPBAAYAGB-UHFFFAOYSA-N 0 1 258.365 2.743 20 30 CFEDMN C[C@@H](CCC#N)CN1CCOc2ccc(O)cc2C1 ZINC000602717481 350997936 /nfs/dbraw/zinc/99/79/36/350997936.db2.gz GNKDPNFCXHXJBE-LBPRGKRZSA-N 0 1 260.337 2.526 20 30 CFEDMN N#Cc1cccc(CN2CC[C@@H](Oc3ccccc3)C2)n1 ZINC000602718891 350998581 /nfs/dbraw/zinc/99/85/81/350998581.db2.gz SJPVRYVWHPGCDA-QGZVFWFLSA-N 0 1 279.343 2.607 20 30 CFEDMN Cc1scc(CNCc2cccc(C#N)n2)c1C ZINC000602733187 351005758 /nfs/dbraw/zinc/00/57/58/351005758.db2.gz KTPYLUCAGRCXQY-UHFFFAOYSA-N 0 1 257.362 2.921 20 30 CFEDMN CCCN(CC(=O)OC(C)(C)C)C[C@H](C)CCC#N ZINC000602612684 350946368 /nfs/dbraw/zinc/94/63/68/350946368.db2.gz KQEQJFZQGZXSAA-CYBMUJFWSA-N 0 1 268.401 2.980 20 30 CFEDMN COc1ncc(CN[C@H]2CCc3cc(C#N)ccc32)s1 ZINC000602638129 350957285 /nfs/dbraw/zinc/95/72/85/350957285.db2.gz CUQFBEDZBKFJJK-AWEZNQCLSA-N 0 1 285.372 2.800 20 30 CFEDMN N#CCC1(CN[C@H](CN2CCCC2=O)c2ccccc2)CC1 ZINC000602796481 351028097 /nfs/dbraw/zinc/02/80/97/351028097.db2.gz ATKFSZMPIWSFTL-MRXNPFEDSA-N 0 1 297.402 2.634 20 30 CFEDMN C[C@H](c1ccc(F)cc1)N1C[C@H](C)N(CC#N)[C@@H](C)C1 ZINC000602856521 351047209 /nfs/dbraw/zinc/04/72/09/351047209.db2.gz MWERVQINUGZHGF-MELADBBJSA-N 0 1 275.371 2.805 20 30 CFEDMN N#Cc1ccc(CN2CCC(c3ccc(F)cn3)CC2)nc1 ZINC000602905370 351062221 /nfs/dbraw/zinc/06/22/21/351062221.db2.gz RNSWSOVGCXLHKT-UHFFFAOYSA-N 0 1 296.349 2.867 20 30 CFEDMN Cn1cc(CN2CC(C)(C)C2)c(-c2ccc(C#N)cc2)n1 ZINC000602752329 351013994 /nfs/dbraw/zinc/01/39/94/351013994.db2.gz UEWGEOCEMXGTHX-UHFFFAOYSA-N 0 1 280.375 2.801 20 30 CFEDMN Cc1ccccc1OCC[N@H+](C)CC1(CC#N)CC1 ZINC000602756846 351015100 /nfs/dbraw/zinc/01/51/00/351015100.db2.gz ANXPRVXBHBSCEQ-UHFFFAOYSA-N 0 1 258.365 3.000 20 30 CFEDMN CN(C)c1cccc(CN(C)[C@@H]2CCC[C@@H]2C#N)c1 ZINC000602977456 351077403 /nfs/dbraw/zinc/07/74/03/351077403.db2.gz BMFXPZCGRPNNAT-GDBMZVCRSA-N 0 1 257.381 2.877 20 30 CFEDMN CN(C)c1cccc(CN(C)[C@@H]2CCC[C@H]2C#N)c1 ZINC000602977457 351077874 /nfs/dbraw/zinc/07/78/74/351077874.db2.gz BMFXPZCGRPNNAT-GOEBONIOSA-N 0 1 257.381 2.877 20 30 CFEDMN CN(CCc1ccc2c(c1)CCO2)[C@H]1CCC[C@@H]1C#N ZINC000602978310 351079109 /nfs/dbraw/zinc/07/91/09/351079109.db2.gz OQVWMSNZWNSUNX-CVEARBPZSA-N 0 1 270.376 2.788 20 30 CFEDMN CCN(CCCN(C)[C@@H]1CCC[C@@H]1C#N)CC(F)(F)F ZINC000602979458 351079775 /nfs/dbraw/zinc/07/97/75/351079775.db2.gz DPFYXGFHYIFJBT-CHWSQXEVSA-N 0 1 291.361 2.885 20 30 CFEDMN CN(CCCC(=O)OC(C)(C)C)[C@H]1CCC[C@@H]1C#N ZINC000602980243 351081266 /nfs/dbraw/zinc/08/12/66/351081266.db2.gz NRHJWZJYASVYRG-OLZOCXBDSA-N 0 1 266.385 2.732 20 30 CFEDMN CN(CCC(=O)Nc1ccccc1C#N)[C@@H]1CCC[C@H]1C#N ZINC000602980294 351081392 /nfs/dbraw/zinc/08/13/92/351081392.db2.gz OGVVYGQVVPXHRM-GOEBONIOSA-N 0 1 296.374 2.511 20 30 CFEDMN CN(Cc1ccc(-n2ccnc2)cc1)[C@@H]1CCC[C@H]1C#N ZINC000602980605 351081952 /nfs/dbraw/zinc/08/19/52/351081952.db2.gz SFVJHJSVHRZBKJ-DOTOQJQBSA-N 0 1 280.375 2.996 20 30 CFEDMN CCc1cc(CCCN(C)[C@H]2CCC[C@@H]2C#N)on1 ZINC000602982673 351085097 /nfs/dbraw/zinc/08/50/97/351085097.db2.gz WNJXLGJSEMOJCD-DOMZBBRYSA-N 0 1 261.369 2.794 20 30 CFEDMN Cc1cc(C#N)ccc1CN[C@@H]1CCCn2nccc21 ZINC000603030995 351092490 /nfs/dbraw/zinc/09/24/90/351092490.db2.gz ZINVTJRVPLZMMK-OAHLLOKOSA-N 0 1 266.348 2.688 20 30 CFEDMN N#Cc1ccc(CNCc2ccc3[nH]cnc3c2)c(F)c1 ZINC000609239778 351492831 /nfs/dbraw/zinc/49/28/31/351492831.db2.gz ZWBADBDUQLTPFM-UHFFFAOYSA-N 0 1 280.306 2.863 20 30 CFEDMN N#Cc1ccc(CNCc2ccc3nc[nH]c3c2)c(F)c1 ZINC000609239778 351492835 /nfs/dbraw/zinc/49/28/35/351492835.db2.gz ZWBADBDUQLTPFM-UHFFFAOYSA-N 0 1 280.306 2.863 20 30 CFEDMN CC1(C)CN(CCOc2ccc(C#N)cc2)C(C)(C)CO1 ZINC000609672089 351516353 /nfs/dbraw/zinc/51/63/53/351516353.db2.gz ZDQZBLPCPZXEPV-UHFFFAOYSA-N 0 1 288.391 2.826 20 30 CFEDMN COc1ccc(Cl)cc1NC(=O)CCN[C@@H](C)CC#N ZINC000610474248 351569073 /nfs/dbraw/zinc/56/90/73/351569073.db2.gz CEPJMGJLQKIQLQ-JTQLQIEISA-N 0 1 295.770 2.569 20 30 CFEDMN N#Cc1ccc(CN(CCCO)C2CC2)c(OC(F)F)c1 ZINC000610613823 351585813 /nfs/dbraw/zinc/58/58/13/351585813.db2.gz CCAVNYVPZNEFIW-UHFFFAOYSA-N 0 1 296.317 2.506 20 30 CFEDMN Cc1nc2ccccn2c1CNCc1ccc(C#N)cc1F ZINC000610658249 351588227 /nfs/dbraw/zinc/58/82/27/351588227.db2.gz QZLJHPGIUHSSDH-UHFFFAOYSA-N 0 1 294.333 2.943 20 30 CFEDMN N#CCCN(Cc1[nH]nc2ccccc21)CC1CC1 ZINC000611268587 351661359 /nfs/dbraw/zinc/66/13/59/351661359.db2.gz CMDTYNGGKYLIEL-UHFFFAOYSA-N 0 1 254.337 2.689 20 30 CFEDMN N#Cc1ccc(CN2CCC3(CCOC3)CC2)c(F)c1 ZINC000611177867 351647780 /nfs/dbraw/zinc/64/77/80/351647780.db2.gz NUAITHRWOPZNDO-UHFFFAOYSA-N 0 1 274.339 2.700 20 30 CFEDMN C[C@@H](C#N)CN(Cc1[nH]nc2ccccc21)C1CC1 ZINC000611276121 351662477 /nfs/dbraw/zinc/66/24/77/351662477.db2.gz NEARCVMKTDPVHF-NSHDSACASA-N 0 1 254.337 2.687 20 30 CFEDMN CCN(Cc1cn[nH]c1)[C@H](C)c1ccc(C#N)cc1 ZINC000611256482 351658544 /nfs/dbraw/zinc/65/85/44/351658544.db2.gz YYDVNDNMPBKPJA-GFCCVEGCSA-N 0 1 254.337 2.864 20 30 CFEDMN C[C@@H](NCc1ccnc(C#N)c1)c1ccc2c(c1)OCO2 ZINC000611377247 351678304 /nfs/dbraw/zinc/67/83/04/351678304.db2.gz AZLXUOVGVUZQLT-LLVKDONJSA-N 0 1 281.315 2.533 20 30 CFEDMN C[C@H](NCC(=O)N1[C@@H](C)CCC[C@@H]1C)c1cccc(C#N)c1 ZINC000611388578 351679672 /nfs/dbraw/zinc/67/96/72/351679672.db2.gz KDAHIRXZWWKNED-KKUMJFAQSA-N 0 1 299.418 2.998 20 30 CFEDMN Cc1cc(CN[C@@H]2CCCc3cc(C#N)ccc32)ncn1 ZINC000611394592 351682315 /nfs/dbraw/zinc/68/23/15/351682315.db2.gz RUFOEJCOIJSQPA-QGZVFWFLSA-N 0 1 278.359 2.824 20 30 CFEDMN CCc1nc([C@@H](C)N[C@@H]2CCCc3cc(C#N)ccc32)n[nH]1 ZINC000611395274 351682563 /nfs/dbraw/zinc/68/25/63/351682563.db2.gz ZVTLAZLSVZMGPS-IAQYHMDHSA-N 0 1 295.390 2.967 20 30 CFEDMN CC(C)CSCCCN1CCN([C@H](C#N)C(C)C)CC1 ZINC000611432034 351689292 /nfs/dbraw/zinc/68/92/92/351689292.db2.gz KLLUCMQVWQVGLV-MRXNPFEDSA-N 0 1 297.512 2.931 20 30 CFEDMN CC[C@H](c1ccncc1)N(C)Cc1ccnc(C#N)c1 ZINC000611281985 351663412 /nfs/dbraw/zinc/66/34/12/351663412.db2.gz VLOWBMNWSONPKZ-MRXNPFEDSA-N 0 1 266.348 2.931 20 30 CFEDMN COC(=O)c1ccc(CN[C@H](C)c2cccc(C#N)c2)[nH]1 ZINC000611622239 351716791 /nfs/dbraw/zinc/71/67/91/351716791.db2.gz IKAMQTOFBIIFFW-LLVKDONJSA-N 0 1 283.331 2.524 20 30 CFEDMN Cc1cc(CN[C@H](C)c2ccc(C#N)cc2F)n[nH]1 ZINC000611587399 351712554 /nfs/dbraw/zinc/71/25/54/351712554.db2.gz BYKNCPWHZBMNQJ-SNVBAGLBSA-N 0 1 258.300 2.580 20 30 CFEDMN COc1ccccc1CNCc1cnc2ccc(C#N)cn12 ZINC000123126039 187072951 /nfs/dbraw/zinc/07/29/51/187072951.db2.gz FJVQWSXCWFFXKQ-UHFFFAOYSA-N 0 1 292.342 2.504 20 30 CFEDMN COc1cccc(CNCc2cnc3ccc(C#N)cn23)c1 ZINC000123175485 187075664 /nfs/dbraw/zinc/07/56/64/187075664.db2.gz JXSHHUNMYKXEAR-UHFFFAOYSA-N 0 1 292.342 2.504 20 30 CFEDMN C[C@@]1(C#N)CCCN(CCCC2CCOCC2)C1 ZINC000613620650 351988352 /nfs/dbraw/zinc/98/83/52/351988352.db2.gz CWIAEBJGGYIQOV-HNNXBMFYSA-N 0 1 250.386 2.819 20 30 CFEDMN C=CCC1(CNC(=O)[C@@H]2CCc3[nH]cnc3C2)CCCC1 ZINC000615975562 352268913 /nfs/dbraw/zinc/26/89/13/352268913.db2.gz DMZIVQIVMWWEOB-CYBMUJFWSA-N 0 1 287.407 2.767 20 30 CFEDMN C[C@@]1(C#N)CCCN(C[C@@H](O)C2CCCCC2)C1 ZINC000616113940 352286095 /nfs/dbraw/zinc/28/60/95/352286095.db2.gz KSGOIAKPFHCYDE-CABCVRRESA-N 0 1 250.386 2.553 20 30 CFEDMN C#CCOc1ccc([C@@H](C)N[C@@H](C)c2n[nH]c(CC)n2)cc1 ZINC000271491268 191171686 /nfs/dbraw/zinc/17/16/86/191171686.db2.gz LAQICOXJCAAJBZ-OLZOCXBDSA-N 0 1 298.390 2.791 20 30 CFEDMN CC[C@@]1(NCc2ccc(Cl)cc2C#N)CCOC1 ZINC000616866194 352436026 /nfs/dbraw/zinc/43/60/26/352436026.db2.gz VDBSDTBHYKBLTN-CQSZACIVSA-N 0 1 264.756 2.870 20 30 CFEDMN C=CC[C@H]1CCCC[C@@H]1NC(=O)c1ccc2[nH]nnc2c1 ZINC000617038521 352474676 /nfs/dbraw/zinc/47/46/76/352474676.db2.gz YLQSWODNTBHUJC-AAEUAGOBSA-N 0 1 284.363 2.823 20 30 CFEDMN C=CC[C@H]1CCCN(C(=O)c2ccc(-c3nnc[nH]3)cc2)C1 ZINC000617780379 352644066 /nfs/dbraw/zinc/64/40/66/352644066.db2.gz UQNNYWOFHBPNTJ-ZDUSSCGKSA-N 0 1 296.374 2.900 20 30 CFEDMN C=CC[C@H]1CCCN(C(=O)c2[nH]nc3ccccc32)C1 ZINC000617789321 352648117 /nfs/dbraw/zinc/64/81/17/352648117.db2.gz FLGJCVNFSAOZQA-LBPRGKRZSA-N 0 1 269.348 2.991 20 30 CFEDMN C=CCC[C@H](O)CN[C@H](C)c1c(F)cccc1F ZINC000271643409 191254378 /nfs/dbraw/zinc/25/43/78/191254378.db2.gz CUZACVJULKQPBL-MNOVXSKESA-N 0 1 255.308 2.943 20 30 CFEDMN C=CCC[C@H](O)CN[C@@H](C)c1c(F)cccc1F ZINC000271643412 191255261 /nfs/dbraw/zinc/25/52/61/191255261.db2.gz CUZACVJULKQPBL-QWRGUYRKSA-N 0 1 255.308 2.943 20 30 CFEDMN N#Cc1ccc2c(c1)CC[C@@H]2NC(=O)c1ccc(F)cc1O ZINC000618892923 352906991 /nfs/dbraw/zinc/90/69/91/352906991.db2.gz SMNBFHUQEYIFLJ-HNNXBMFYSA-N 0 1 296.301 2.820 20 30 CFEDMN C=C(Cl)CN[C@H](C)c1ccc(C(=O)N(C)C)cc1 ZINC000292209930 198203849 /nfs/dbraw/zinc/20/38/49/198203849.db2.gz PYYFDFOOEBXYDP-LLVKDONJSA-N 0 1 266.772 2.792 20 30 CFEDMN C[C@H](NCC(=O)NCc1ccc(C#N)cc1)c1ccsc1 ZINC000619783780 353066667 /nfs/dbraw/zinc/06/66/67/353066667.db2.gz YGXLEQVQFSLINS-LBPRGKRZSA-N 0 1 299.399 2.587 20 30 CFEDMN CC(C)Oc1ncccc1CN[C@@H]1CC[C@H](C#N)C1 ZINC000619672202 353048004 /nfs/dbraw/zinc/04/80/04/353048004.db2.gz BGBNASUCQWLBFF-GXTWGEPZSA-N 0 1 259.353 2.651 20 30 CFEDMN C=C1C[C@H]2CC[C@@H](C1)N2C(=O)c1ccc(-c2nnc[nH]2)cc1 ZINC000620305556 353149319 /nfs/dbraw/zinc/14/93/19/353149319.db2.gz LHZRUFOZQQVXMQ-GASCZTMLSA-N 0 1 294.358 2.795 20 30 CFEDMN N#CCSCCCN1CCc2cccc(F)c2C1 ZINC000158094535 188356339 /nfs/dbraw/zinc/35/63/39/188356339.db2.gz OQXXLJGCODCYFJ-UHFFFAOYSA-N 0 1 264.369 2.831 20 30 CFEDMN C=CC[C@@H]1CCCN(C(=O)[C@H]2C[C@@H](C)Cc3c[nH]nc32)C1 ZINC000623227561 353596804 /nfs/dbraw/zinc/59/68/04/353596804.db2.gz XOJLVRMOKNSZIW-GUTXKFCHSA-N 0 1 287.407 2.890 20 30 CFEDMN COC1(C)CCN(Cc2cc(C#N)ccc2F)CC1 ZINC000271718927 191290944 /nfs/dbraw/zinc/29/09/44/191290944.db2.gz KPPRVUBZSUYYSW-UHFFFAOYSA-N 0 1 262.328 2.698 20 30 CFEDMN C=CC[C@@H]1CC[N@H+](CC(=O)Nc2ccc(OC)cc2)C1 ZINC000625699677 354088277 /nfs/dbraw/zinc/08/82/77/354088277.db2.gz CJWNBRIDUAPFQJ-CYBMUJFWSA-N 0 1 274.364 2.532 20 30 CFEDMN C=CC[C@@H]1CCN(CC(=O)Nc2ccc(OC)cc2)C1 ZINC000625699677 354088281 /nfs/dbraw/zinc/08/82/81/354088281.db2.gz CJWNBRIDUAPFQJ-CYBMUJFWSA-N 0 1 274.364 2.532 20 30 CFEDMN C=CC[C@H]1CCN(CC(=O)Nc2cccc(OC)c2)C1 ZINC000625705247 354092248 /nfs/dbraw/zinc/09/22/48/354092248.db2.gz ZGPYJNQGQPQWSG-ZDUSSCGKSA-N 0 1 274.364 2.532 20 30 CFEDMN C=CCNC(=O)[C@H](C)N(CCC)Cc1ccc(OC)cc1 ZINC000625964026 354154202 /nfs/dbraw/zinc/15/42/02/354154202.db2.gz SXTZLQXCRLCKJB-AWEZNQCLSA-N 0 1 290.407 2.598 20 30 CFEDMN C#CC[C@H](NCC(=O)N1CCC[C@H](C)C1)c1ccccc1 ZINC000271741821 191302192 /nfs/dbraw/zinc/30/21/92/191302192.db2.gz VRMOIMXMOBIVAC-RDJZCZTQSA-N 0 1 284.403 2.599 20 30 CFEDMN C=CC[C@@H]1CC[N@H+](Cc2ccsc2C(=O)[O-])C1 ZINC000629365953 354789481 /nfs/dbraw/zinc/78/94/81/354789481.db2.gz BKXCMUWROBOAJA-SNVBAGLBSA-N 0 1 251.351 2.844 20 30 CFEDMN C=CCC1(CNC(=O)CN(C)C2CCC2)CCCC1 ZINC000630005226 354981361 /nfs/dbraw/zinc/98/13/61/354981361.db2.gz RQSJPFWRLDJMLB-UHFFFAOYSA-N 0 1 264.413 2.723 20 30 CFEDMN C=CCCC(C)(C)CNC(=O)NCCCc1cn[nH]c1C ZINC000630402432 355073805 /nfs/dbraw/zinc/07/38/05/355073805.db2.gz WTHBXMWXXMJVSA-UHFFFAOYSA-N 0 1 292.427 2.942 20 30 CFEDMN C=CCS(=O)(=O)CCN[C@@H](C)c1cc(C)cc(C)c1 ZINC000272852067 191945563 /nfs/dbraw/zinc/94/55/63/191945563.db2.gz LJMVSYXAXQSKBC-AWEZNQCLSA-N 0 1 281.421 2.555 20 30 CFEDMN C=CCCC(C)(C)CNC(=O)CN(CC)C1CC1 ZINC000633965638 356045443 /nfs/dbraw/zinc/04/54/43/356045443.db2.gz XUVLBBNTHRUVOF-UHFFFAOYSA-N 0 1 252.402 2.579 20 30 CFEDMN C=CCCC(C)(C)CNC(=O)[C@H]1CCCN1C1CC1 ZINC000633965643 356045463 /nfs/dbraw/zinc/04/54/63/356045463.db2.gz XZKSKVYTJSPESD-CQSZACIVSA-N 0 1 264.413 2.722 20 30 CFEDMN C=CCOCCNCc1ccc(Br)cc1F ZINC000303550445 540275587 /nfs/dbraw/zinc/27/55/87/540275587.db2.gz JIJPHSWJMUZOOD-UHFFFAOYSA-N 0 1 288.160 2.880 20 30 CFEDMN C=CC[C@@H](C)[C@@H](C)NCc1ncn(-c2ccccc2)n1 ZINC000294532590 199075302 /nfs/dbraw/zinc/07/53/02/199075302.db2.gz ADPPDWNMJADADJ-ZIAGYGMSSA-N 0 1 270.380 2.958 20 30 CFEDMN Cc1cnccc1CN(C)Cc1cccc(C#N)c1 ZINC000294616384 199108989 /nfs/dbraw/zinc/10/89/89/199108989.db2.gz XMEBKYVHWRDUSP-UHFFFAOYSA-N 0 1 251.333 2.894 20 30 CFEDMN C=CCN(CC1CCCCC1)C(=O)c1ccc(CN)o1 ZINC000237902823 540448919 /nfs/dbraw/zinc/44/89/19/540448919.db2.gz QGYWOHAEVVVOIH-UHFFFAOYSA-N 0 1 276.380 2.947 20 30 CFEDMN N#Cc1ccccc1CN1CCC(c2ccncn2)CC1 ZINC000298065216 200326522 /nfs/dbraw/zinc/32/65/22/200326522.db2.gz GPMVWSOMRASTFA-UHFFFAOYSA-N 0 1 278.359 2.728 20 30 CFEDMN C[C@@H](O)CCN(C)CC#Cc1ccc(C(F)(F)F)cc1 ZINC000177308129 189043180 /nfs/dbraw/zinc/04/31/80/189043180.db2.gz HBWXDXJGFIOQPF-GFCCVEGCSA-N 0 1 285.309 2.760 20 30 CFEDMN C[C@H]1CCN(Cc2ccc(C#N)cc2F)C[C@@H]1n1ccnc1 ZINC000177906392 189078166 /nfs/dbraw/zinc/07/81/66/189078166.db2.gz AWHBDTVIPVHHCB-GUYCJALGSA-N 0 1 298.365 2.977 20 30 CFEDMN C=CCNC(=O)[C@H](C)N[C@@H](CC)c1ccccc1OCC ZINC000179749578 189218413 /nfs/dbraw/zinc/21/84/13/189218413.db2.gz VJSIJTWBPJVOMJ-ZFWWWQNUSA-N 0 1 290.407 2.817 20 30 CFEDMN Cc1noc([C@@H]2CCCN(Cc3ccc(C#N)s3)C2)n1 ZINC000179715156 189216114 /nfs/dbraw/zinc/21/61/14/189216114.db2.gz LFVDWJHAWVZSIO-LLVKDONJSA-N 0 1 288.376 2.691 20 30 CFEDMN C=CC[C@@H](Cc1ccccc1)NC(=O)[C@H]1CCCCN1C ZINC000666032919 540896893 /nfs/dbraw/zinc/89/68/93/540896893.db2.gz WFKKWCOWUOPOLY-DLBZAZTESA-N 0 1 286.419 2.774 20 30 CFEDMN CCC#C[C@H](C)N1CCC[C@](O)(C(F)(F)F)CC1 ZINC000671724269 541060212 /nfs/dbraw/zinc/06/02/12/541060212.db2.gz VOVZJWSBUQNYTD-NWDGAFQWSA-N 0 1 263.303 2.568 20 30 CFEDMN CC(=O)Nc1ccc(CN[C@H](C)c2cccc(C#N)c2)cn1 ZINC000432503681 240016185 /nfs/dbraw/zinc/01/61/85/240016185.db2.gz XJAYVSMLYXWTDO-GFCCVEGCSA-N 0 1 294.358 2.762 20 30 CFEDMN CN(Cc1cccc(C#N)c1F)C[C@@H](O)Cc1ccccc1 ZINC000433085674 240096641 /nfs/dbraw/zinc/09/66/41/240096641.db2.gz XJHBGYFPUVIGQE-KRWDZBQOSA-N 0 1 298.361 2.733 20 30 CFEDMN Cc1ccn(C2CCN(Cc3cc(C#N)cs3)CC2)n1 ZINC000435054711 240288155 /nfs/dbraw/zinc/28/81/55/240288155.db2.gz FOROOQKLWFVNCK-UHFFFAOYSA-N 0 1 286.404 2.962 20 30 CFEDMN Cc1oc(C#N)cc1C(=O)NCc1nc2ccc(C)cc2[nH]1 ZINC000436099208 240389986 /nfs/dbraw/zinc/38/99/86/240389986.db2.gz CYQIAOXQBLKJGT-UHFFFAOYSA-N 0 1 294.314 2.574 20 30 CFEDMN C[C@H](c1cccc(C#N)c1)N(C)Cc1cnc(N(C)C)nc1 ZINC000442896685 241018686 /nfs/dbraw/zinc/01/86/86/241018686.db2.gz HPHSLKGOMWRWIS-CYBMUJFWSA-N 0 1 295.390 2.607 20 30 CFEDMN Cc1cc(CNCC(=O)Nc2ccc(F)cc2)ccc1C#N ZINC000443986085 241102501 /nfs/dbraw/zinc/10/25/01/241102501.db2.gz ZEIPYYBFFARYFJ-UHFFFAOYSA-N 0 1 297.333 2.734 20 30 CFEDMN C[C@@H](O)[C@H]1C[C@H](C)CCN1Cc1ccc(C#N)cc1F ZINC000443326998 241052369 /nfs/dbraw/zinc/05/23/69/241052369.db2.gz MBIXHIFOQLGBOF-XHBSWPGZSA-N 0 1 276.355 2.679 20 30 CFEDMN N#Cc1ccnc(N2CCN(CC3=CCCCC3)CC2)c1 ZINC000450260824 242330080 /nfs/dbraw/zinc/33/00/80/242330080.db2.gz FPLLHDGSZVDFMM-UHFFFAOYSA-N 0 1 282.391 2.576 20 30 CFEDMN COC[C@@H]1CCCN(Cc2ccc(F)cc2C#N)CC1 ZINC000452097009 243045632 /nfs/dbraw/zinc/04/56/32/243045632.db2.gz YQOGQZWROAZVPV-CYBMUJFWSA-N 0 1 276.355 2.946 20 30 CFEDMN C=C(C)CN(CC)C(=O)CN[C@H](C)c1ccccc1OC ZINC000675553312 541666831 /nfs/dbraw/zinc/66/68/31/541666831.db2.gz GOTPYFJMSGHQKQ-CQSZACIVSA-N 0 1 290.407 2.770 20 30 CFEDMN C=CCCN(C)C(=O)NC[C@@H](c1ccsc1)N(C)C ZINC000276040640 193196331 /nfs/dbraw/zinc/19/63/31/193196331.db2.gz FYCVTMKGBXKBBE-ZDUSSCGKSA-N 0 1 281.425 2.568 20 30 CFEDMN Fc1ccc(C#CCN2CCC[C@@H](n3ccnc3)C2)cc1 ZINC000676558986 541766974 /nfs/dbraw/zinc/76/69/74/541766974.db2.gz UOABWTLZDSFYQF-QGZVFWFLSA-N 0 1 283.350 2.711 20 30 CFEDMN C=CCCN(C)Cc1c(C)nn(C)c1OCC(F)(F)F ZINC000276089010 193210577 /nfs/dbraw/zinc/21/05/77/193210577.db2.gz CLUHABFIDLXPBB-UHFFFAOYSA-N 0 1 291.317 2.678 20 30 CFEDMN C=C[C@](C)(CCOC)C(=O)Nc1cc(C(C)=O)ccc1O ZINC000276205754 193242215 /nfs/dbraw/zinc/24/22/15/193242215.db2.gz KQHSQPKFRKMNIK-MRXNPFEDSA-N 0 1 291.347 2.762 20 30 CFEDMN C=CCCN(C)[C@H](C)C(=O)Nc1cc(F)ccc1F ZINC000276375904 193307279 /nfs/dbraw/zinc/30/72/79/193307279.db2.gz HMNYDBMKVHJEEK-SNVBAGLBSA-N 0 1 268.307 2.800 20 30 CFEDMN C=CCCN(C)CC(=O)Nc1ccc(OC(F)F)cc1 ZINC000276521038 193366211 /nfs/dbraw/zinc/36/62/11/193366211.db2.gz YUEDALPWLFDGJW-UHFFFAOYSA-N 0 1 284.306 2.734 20 30 CFEDMN C=C(C)[C@@H](CO)N1CCC(C(=O)c2ccccc2)CC1 ZINC000677047342 541812979 /nfs/dbraw/zinc/81/29/79/541812979.db2.gz WMGCHJPAIZYQPN-MRXNPFEDSA-N 0 1 273.376 2.518 20 30 CFEDMN COCC#CCSc1nc2ccc(Cl)cc2[nH]1 ZINC000677130794 541824164 /nfs/dbraw/zinc/82/41/64/541824164.db2.gz HJYCSIAGQRICFO-UHFFFAOYSA-N 0 1 266.753 2.958 20 30 CFEDMN Cc1cc(CNCc2n[nH]c(C(C)(C)C)n2)ccc1C#N ZINC000459679736 245271053 /nfs/dbraw/zinc/27/10/53/245271053.db2.gz PRAZWSVSXUDXRZ-UHFFFAOYSA-N 0 1 283.379 2.572 20 30 CFEDMN COc1ccc(C#N)cc1CN1CC2(CCC2)[C@H]2COC[C@H]21 ZINC000459671317 245266514 /nfs/dbraw/zinc/26/65/14/245266514.db2.gz KFJGXYQINDCSMI-JKSUJKDBSA-N 0 1 298.386 2.568 20 30 CFEDMN CCOC[C@@H]1CCCCN1Cc1cnc2ccc(C#N)cn12 ZINC000459674944 245267806 /nfs/dbraw/zinc/26/78/06/245267806.db2.gz LQPZTJFAIAJAQQ-HNNXBMFYSA-N 0 1 298.390 2.597 20 30 CFEDMN Cc1oc(NC(=O)CN(C)C2CC(C)(C)C2)c(C#N)c1C ZINC000459740856 245296518 /nfs/dbraw/zinc/29/65/18/245296518.db2.gz MQFQNJNGCMSCHT-UHFFFAOYSA-N 0 1 289.379 2.827 20 30 CFEDMN CO[C@@H]1C[C@H](NCc2ccc(F)cc2C#N)C12CCC2 ZINC000459760899 245309142 /nfs/dbraw/zinc/30/91/42/245309142.db2.gz MUXKIUYTCTVVTN-LSDHHAIUSA-N 0 1 274.339 2.745 20 30 CFEDMN C=C(C)[C@@H](CO)[N@H+]1CCC[C@@H](c2nc3ccccc3o2)C1 ZINC000677480206 541865392 /nfs/dbraw/zinc/86/53/92/541865392.db2.gz VEKRTFUMJXODOJ-UKRRQHHQSA-N 0 1 286.375 2.944 20 30 CFEDMN Cc1cccc(C)c1NS(=O)(=O)c1ccccc1C#N ZINC000016149071 372099191 /nfs/dbraw/zinc/09/91/91/372099191.db2.gz KIAXOFUOJNZRQN-UHFFFAOYSA-N 0 1 286.356 2.976 20 30 CFEDMN CN(Cc1cccc(C#N)c1)C[C@H]1COc2ccccc2O1 ZINC000016378866 372104567 /nfs/dbraw/zinc/10/45/67/372104567.db2.gz SIUXLSXJVSIKPG-INIZCTEOSA-N 0 1 294.354 2.830 20 30 CFEDMN C=CCNC(=O)[C@H](C)N(C)Cc1ccc2ccccc2c1 ZINC000025679434 372306366 /nfs/dbraw/zinc/30/63/66/372306366.db2.gz LFKCOJVBXYHYDE-AWEZNQCLSA-N 0 1 282.387 2.962 20 30 CFEDMN Cc1ccccc1CN1CCN(c2ccc(C#N)cn2)CC1 ZINC000028740589 372369756 /nfs/dbraw/zinc/36/97/56/372369756.db2.gz RPUZZEHLRUZOTC-UHFFFAOYSA-N 0 1 292.386 2.584 20 30 CFEDMN C=CCNC(=O)[C@H](C)N[C@H](C)c1cccc(Cl)c1 ZINC000037978052 372746238 /nfs/dbraw/zinc/74/62/38/372746238.db2.gz QTURQVBCMNUQID-MNOVXSKESA-N 0 1 266.772 2.681 20 30 CFEDMN Cc1csc(C(C#N)C(=O)c2cccc(C#N)c2)n1 ZINC000041521502 372845486 /nfs/dbraw/zinc/84/54/86/372845486.db2.gz KIHRJVJFRWPYTJ-LBPRGKRZSA-N 0 1 267.313 2.813 20 30 CFEDMN N#Cc1cc(F)ccc1CN1CC[C@@H]2C[C@H](O)CC[C@H]2C1 ZINC000451708444 383688206 /nfs/dbraw/zinc/68/82/06/383688206.db2.gz NXOMVXRXGFEGDR-IIYDPXPESA-N 0 1 288.366 2.680 20 30 CFEDMN CCC1CCN([C@H](C)C(=O)N[C@@](C)(C#N)C(C)C)CC1 ZINC000048596245 373205564 /nfs/dbraw/zinc/20/55/64/373205564.db2.gz RUUVNYSUGMRPAF-CJNGLKHVSA-N 0 1 279.428 2.551 20 30 CFEDMN CC(C)N1CCN(c2ccc(Cl)cc2C#N)CC1 ZINC000052859616 373452298 /nfs/dbraw/zinc/45/22/98/373452298.db2.gz KAKKODWBUUSKEH-UHFFFAOYSA-N 0 1 263.772 2.742 20 30 CFEDMN CCN(CC)CC(=O)Nc1cc(C#N)ccc1OC(C)C ZINC000058834229 373671633 /nfs/dbraw/zinc/67/16/33/373671633.db2.gz XFGHDUBBGWQJHR-UHFFFAOYSA-N 0 1 289.379 2.626 20 30 CFEDMN CC(C)N1CCN(c2cc(Cl)ccc2C#N)CC1 ZINC000062789929 373765504 /nfs/dbraw/zinc/76/55/04/373765504.db2.gz SVQOUVIYNSGABM-UHFFFAOYSA-N 0 1 263.772 2.742 20 30 CFEDMN C=CCN1CCCN(C(=O)c2ccccc2Cl)CC1 ZINC000064249762 373821256 /nfs/dbraw/zinc/82/12/56/373821256.db2.gz ZJSQVOIWIPOZGA-UHFFFAOYSA-N 0 1 278.783 2.674 20 30 CFEDMN C=CCOc1ccccc1C[N@@H+]1CCC[C@H](C(=O)[O-])C1 ZINC000066115123 373912143 /nfs/dbraw/zinc/91/21/43/373912143.db2.gz KAYCITHSIJGZBM-AWEZNQCLSA-N 0 1 275.348 2.548 20 30 CFEDMN CN(C(=O)c1cccc2c[nH]nc21)c1cccc(C#N)c1 ZINC000068214920 374024267 /nfs/dbraw/zinc/02/42/67/374024267.db2.gz DLBMLRVCWAGIIH-UHFFFAOYSA-N 0 1 276.299 2.711 20 30 CFEDMN COCC#CCN1CC[C@H](C)[C@H]1c1cccc(F)c1 ZINC000677820385 541910637 /nfs/dbraw/zinc/91/06/37/541910637.db2.gz LXDLFDDMEPAVAK-BBRMVZONSA-N 0 1 261.340 2.858 20 30 CFEDMN CCN(CCNc1cnccc1C#N)CCC(F)(F)F ZINC000491592012 246083805 /nfs/dbraw/zinc/08/38/05/246083805.db2.gz QKHXBVHDTQZTCR-UHFFFAOYSA-N 0 1 286.301 2.639 20 30 CFEDMN Cc1csc(C(C#N)C(=O)c2cccc3c2OCO3)n1 ZINC000077429267 374562809 /nfs/dbraw/zinc/56/28/09/374562809.db2.gz MJHRMOPAVYGCAO-SNVBAGLBSA-N 0 1 286.312 2.670 20 30 CFEDMN Cc1csc([C@H](C#N)C(=O)c2cccc3c2OCO3)n1 ZINC000077429267 374562816 /nfs/dbraw/zinc/56/28/16/374562816.db2.gz MJHRMOPAVYGCAO-SNVBAGLBSA-N 0 1 286.312 2.670 20 30 CFEDMN C=CCCCN(C)C(=O)NC[C@@H](c1cccs1)N(C)C ZINC000077538391 374564211 /nfs/dbraw/zinc/56/42/11/374564211.db2.gz RFTJYAWXZPSBMQ-ZDUSSCGKSA-N 0 1 295.452 2.958 20 30 CFEDMN CCN(CCC#N)C(=O)CN(C)[C@H](C)c1ccc(C)cc1 ZINC000077023517 374559361 /nfs/dbraw/zinc/55/93/61/374559361.db2.gz IECROBUKTMICEM-OAHLLOKOSA-N 0 1 287.407 2.750 20 30 CFEDMN COc1ccc(CN(C)Cc2ccncc2)cc1C#N ZINC000087833167 374833522 /nfs/dbraw/zinc/83/35/22/374833522.db2.gz WTYQLBXKLKQBJN-UHFFFAOYSA-N 0 1 267.332 2.594 20 30 CFEDMN COC(=O)c1ccc(CN[C@H](C)c2ccc(C#N)cc2)[nH]1 ZINC000093084625 375185426 /nfs/dbraw/zinc/18/54/26/375185426.db2.gz SNFRNXGYUFIACF-LLVKDONJSA-N 0 1 283.331 2.524 20 30 CFEDMN Cc1cccnc1CN(C)Cc1ccc(C#N)cc1 ZINC000093158035 375194707 /nfs/dbraw/zinc/19/47/07/375194707.db2.gz DFFJKIFSMJLLJF-UHFFFAOYSA-N 0 1 251.333 2.894 20 30 CFEDMN C#CCN1CCC[C@H](c2nc(-c3ccc(F)cc3)no2)C1 ZINC000102401079 375672163 /nfs/dbraw/zinc/67/21/63/375672163.db2.gz RIOIHUSCPPHKHQ-ZDUSSCGKSA-N 0 1 285.322 2.688 20 30 CFEDMN CN(Cc1cccc(F)c1C#N)[C@H](CO)CC(C)(C)C ZINC000451793794 383709574 /nfs/dbraw/zinc/70/95/74/383709574.db2.gz WANFEZFDSKCZTE-ZDUSSCGKSA-N 0 1 278.371 2.926 20 30 CFEDMN C=CCN(CC=C)C(=O)CN1CCc2ccccc2[C@H]1C ZINC000106862338 375802245 /nfs/dbraw/zinc/80/22/45/375802245.db2.gz HUSKCVKBOCMTLH-OAHLLOKOSA-N 0 1 284.403 2.806 20 30 CFEDMN CCOC(=O)C1CCN([C@@H](C)c2ccc(C#N)cc2)CC1 ZINC000118390331 376291712 /nfs/dbraw/zinc/29/17/12/376291712.db2.gz KUWQIUKSAANGAT-ZDUSSCGKSA-N 0 1 286.375 2.894 20 30 CFEDMN C=C(C)CONC(=O)[C@H]1Cc2c1cccc2Cl ZINC000529511249 383715237 /nfs/dbraw/zinc/71/52/37/383715237.db2.gz HOJISANEVCLOMZ-NSHDSACASA-N 0 1 251.713 2.604 20 30 CFEDMN C=C[C@H](CC(=O)N[C@H](CCC)c1nn[nH]n1)c1ccccc1 ZINC000122724202 376935843 /nfs/dbraw/zinc/93/58/43/376935843.db2.gz VSYQSHIKPCUVAR-TZMCWYRMSA-N 0 1 299.378 2.517 20 30 CFEDMN C=C[C@@H](CC(=O)N[C@@H](CCC)c1nn[nH]n1)c1ccccc1 ZINC000122724412 376935872 /nfs/dbraw/zinc/93/58/72/376935872.db2.gz VSYQSHIKPCUVAR-JSGCOSHPSA-N 0 1 299.378 2.517 20 30 CFEDMN C[C@@H](Cc1cnc[nH]1)C(=O)N[C@](C)(C#N)C1CCCCC1 ZINC000571700483 383717923 /nfs/dbraw/zinc/71/79/23/383717923.db2.gz UJVMGLBGVPPSED-BLLLJJGKSA-N 0 1 288.395 2.567 20 30 CFEDMN C=C(C)CN(CC)[C@@H](C)C(=O)NC1CCC(C)CC1 ZINC000125953184 377203672 /nfs/dbraw/zinc/20/36/72/377203672.db2.gz XVVCUTYTUWEAQK-SLTAFYQDSA-N 0 1 266.429 2.968 20 30 CFEDMN C=CC[C@@H](C)NC(=O)NCc1nc2cccc(C)c2[nH]1 ZINC000128569957 377346026 /nfs/dbraw/zinc/34/60/26/377346026.db2.gz FGIZEPLDSCSJGH-LLVKDONJSA-N 0 1 272.352 2.635 20 30 CFEDMN N#CC1(c2ccccc2)CC(Nc2ccc3nn[nH]c3c2)C1 ZINC000128743785 377355441 /nfs/dbraw/zinc/35/54/41/377355441.db2.gz GUSNJPCNRKMDGZ-UHFFFAOYSA-N 0 1 289.342 2.994 20 30 CFEDMN N#CC1(c2ccccc2)CC(Nc2ccc3n[nH]nc3c2)C1 ZINC000128743785 377355446 /nfs/dbraw/zinc/35/54/46/377355446.db2.gz GUSNJPCNRKMDGZ-UHFFFAOYSA-N 0 1 289.342 2.994 20 30 CFEDMN C[C@H]1CCN(Cc2ccc(F)c(C#N)c2)C[C@@H]1n1ccnc1 ZINC000129440318 377427335 /nfs/dbraw/zinc/42/73/35/377427335.db2.gz PFXBTFSBZOYYRY-GUYCJALGSA-N 0 1 298.365 2.977 20 30 CFEDMN CC(C)N(C)CC(=O)Nc1ccc(Cl)cc1CC#N ZINC000576648390 335230919 /nfs/dbraw/zinc/23/09/19/335230919.db2.gz MFCBLTIOUALZQZ-UHFFFAOYSA-N 0 1 279.771 2.685 20 30 CFEDMN CN(CCC#N)c1ccc(CN2CCOCC2(C)C)cc1 ZINC000130897129 377626576 /nfs/dbraw/zinc/62/65/76/377626576.db2.gz TULDBLKTPDBMMU-UHFFFAOYSA-N 0 1 287.407 2.647 20 30 CFEDMN N#Cc1ccc2nc(-c3ccc(-n4cncn4)cc3)[nH]c2c1 ZINC000130980465 377642308 /nfs/dbraw/zinc/64/23/08/377642308.db2.gz SAFRBLYMEVJOLC-UHFFFAOYSA-N 0 1 286.298 2.682 20 30 CFEDMN C=C[C@H](CC(=O)N1CCN(C(C)C)CC1)c1ccccc1 ZINC000130979883 377642324 /nfs/dbraw/zinc/64/23/24/377642324.db2.gz LCAQGGGTQZBKCX-MRXNPFEDSA-N 0 1 286.419 2.899 20 30 CFEDMN CC[C@@H](C)N1CCN(c2cc(C#N)ccc2C(C)=O)CC1 ZINC000131283511 377686755 /nfs/dbraw/zinc/68/67/55/377686755.db2.gz KJRLPLFJDHSDHK-CYBMUJFWSA-N 0 1 285.391 2.681 20 30 CFEDMN CN(Cc1cc(C#N)ccc1F)[C@@H](CO)C(C)(C)C ZINC000134387224 378008499 /nfs/dbraw/zinc/00/84/99/378008499.db2.gz DCRLOBLOAHLRPH-AWEZNQCLSA-N 0 1 264.344 2.536 20 30 CFEDMN COCCCCn1[nH]c(C(C)(C)C)c(CCC#N)c1=O ZINC000134740992 378045648 /nfs/dbraw/zinc/04/56/48/378045648.db2.gz SZFIFHLWISKHIL-UHFFFAOYSA-N 0 1 279.384 2.769 20 30 CFEDMN Cc1ncc([C@H](C)NCc2cccc(C#N)c2)c(C)n1 ZINC000151377731 378321705 /nfs/dbraw/zinc/32/17/05/378321705.db2.gz RQPLTTOMOMTMIA-NSHDSACASA-N 0 1 266.348 2.816 20 30 CFEDMN Cc1nc2c(cccc2C(=O)NCCN2CC=C(C)CC2)[nH]1 ZINC000328698879 378416334 /nfs/dbraw/zinc/41/63/34/378416334.db2.gz LYPNSGPFCMFCET-UHFFFAOYSA-N 0 1 298.390 2.828 20 30 CFEDMN Cc1n[nH]c(C(F)F)c1NC(=O)[C@@H]1C[C@]12CCOC2 ZINC000329662018 378476060 /nfs/dbraw/zinc/47/60/60/378476060.db2.gz OQYAFGUVDYUSMM-MADCSZMMSA-N 0 1 271.267 2.670 20 30 CFEDMN CC[C@@H]1CCC[C@H](NC(=O)N[C@H]2CCc3nc[nH]c3C2)C1 ZINC000329710159 378485276 /nfs/dbraw/zinc/48/52/76/378485276.db2.gz LZRIOPOFAXXFFD-AGIUHOORSA-N 0 1 290.411 2.739 20 30 CFEDMN Cc1nc(N[C@@H]2CCc3[nH]cnc3C2)c(Cl)cc1C#N ZINC000329742437 378491384 /nfs/dbraw/zinc/49/13/84/378491384.db2.gz PLRVHVMRJNCDFN-SNVBAGLBSA-N 0 1 287.754 2.608 20 30 CFEDMN C[C@H](NC(=O)N[C@@H]1CCCCC12CCCC2)c1nnc[nH]1 ZINC000329822814 378501304 /nfs/dbraw/zinc/50/13/04/378501304.db2.gz QCYHLFRLDNAJEQ-NWDGAFQWSA-N 0 1 291.399 2.872 20 30 CFEDMN C[C@H](C[C@@H]1CCCO1)NC(=O)[C@H]1CCCc2[nH]ncc21 ZINC000329850159 378504433 /nfs/dbraw/zinc/50/44/33/378504433.db2.gz SDPCGDJXCKWPFB-WOPDTQHZSA-N 0 1 277.368 2.744 20 30 CFEDMN O=C(NC[C@H]1CCCC[N@H+]1C1CC1)C1CCC(O)CC1 ZINC000329946017 378515437 /nfs/dbraw/zinc/51/54/37/378515437.db2.gz GCNVMCDXXLUZSX-HNFVBEJKSA-N 0 1 280.412 2.511 20 30 CFEDMN Cc1n[nH]c(C(C)C)c1C(=O)NCC(C)(C)C(N)=O ZINC000330545654 378582467 /nfs/dbraw/zinc/58/24/67/378582467.db2.gz KKGUYNDKKPPCAU-UHFFFAOYSA-N 0 1 266.345 2.708 20 30 CFEDMN COCCN(C)CC#Cc1ccc(OC(F)(F)F)cc1 ZINC000156279067 378638433 /nfs/dbraw/zinc/63/84/33/378638433.db2.gz ZKTZEQCOXPBJNW-UHFFFAOYSA-N 0 1 287.281 2.515 20 30 CFEDMN CO[C@@H]1CCC[C@@H]1CNC(=O)c1c(C)n[nH]c1C(C)C ZINC000330643574 378592569 /nfs/dbraw/zinc/59/25/69/378592569.db2.gz DBPMJNAVQORALQ-VXGBXAGGSA-N 0 1 279.384 2.961 20 30 CFEDMN CC#CCN(C)Cc1ccc(Br)cc1 ZINC000157372074 378654091 /nfs/dbraw/zinc/65/40/91/378654091.db2.gz CEMSFHKPGDSXDC-UHFFFAOYSA-N 0 1 252.155 2.904 20 30 CFEDMN OCCN(CC#Cc1ccc(F)cc1)Cc1ccccc1 ZINC000158210944 378666508 /nfs/dbraw/zinc/66/65/08/378666508.db2.gz MANOPVNOLYEHHC-UHFFFAOYSA-N 0 1 283.346 2.672 20 30 CFEDMN CSCCN(C)CC#Cc1cccc(Cl)c1 ZINC000157128196 378651280 /nfs/dbraw/zinc/65/12/80/378651280.db2.gz NWNGNSWFQAJIIN-UHFFFAOYSA-N 0 1 253.798 2.986 20 30 CFEDMN N#C[C@@H]1CC[C@H](N[C@H](c2nc[nH]n2)C2CCCCC2)C1 ZINC000333557702 378830282 /nfs/dbraw/zinc/83/02/82/378830282.db2.gz KLSZLQSTFIVXMG-XBFCOCLRSA-N 0 1 273.384 2.708 20 30 CFEDMN Cc1ccc(S(=O)(=O)Nc2ccc(C#N)cc2Cl)o1 ZINC000334233597 378959703 /nfs/dbraw/zinc/95/97/03/378959703.db2.gz YFNYTTIOJRBZGU-UHFFFAOYSA-N 0 1 296.735 2.914 20 30 CFEDMN N#Cc1ccc(C(=O)Nc2ccc(F)cc2O)cc1 ZINC000334250321 378981583 /nfs/dbraw/zinc/98/15/83/378981583.db2.gz HRUJLWILFJXVMX-UHFFFAOYSA-N 0 1 256.236 2.655 20 30 CFEDMN C=C[C@@](C)(O)CC(=O)Nc1ccc2nc(C(F)F)[nH]c2c1 ZINC000278611369 194067860 /nfs/dbraw/zinc/06/78/60/194067860.db2.gz DLWJXHJGOSJWLO-CQSZACIVSA-N 0 1 295.289 2.766 20 30 CFEDMN CC#CCCNCc1cc2c(cc1Br)OCO2 ZINC000166296002 379051910 /nfs/dbraw/zinc/05/19/10/379051910.db2.gz QPGZEKSDIQNTRU-UHFFFAOYSA-N 0 1 296.164 2.681 20 30 CFEDMN C=CCN1CCC[C@H](N(C)C(=O)OC(C)(C)C)C1 ZINC000170652682 379135108 /nfs/dbraw/zinc/13/51/08/379135108.db2.gz UCEHVNLZOFHSSX-LBPRGKRZSA-N 0 1 254.374 2.504 20 30 CFEDMN COc1cccc2c1CCN([C@H]1CC[C@@H](C#N)C1)C2 ZINC000334372643 379179946 /nfs/dbraw/zinc/17/99/46/379179946.db2.gz RUPICXPFVSBEER-OCCSQVGLSA-N 0 1 256.349 2.746 20 30 CFEDMN C[C@@H]1CCN(Cc2cccc(C#N)c2F)C[C@H]1n1ccnc1 ZINC000334387246 379207725 /nfs/dbraw/zinc/20/77/25/379207725.db2.gz PFCROJGXSTZOFX-CZUORRHYSA-N 0 1 298.365 2.977 20 30 CFEDMN C=C(C)CN(CC)CC(=O)NCCCc1ccccc1 ZINC000048617493 412910665 /nfs/dbraw/zinc/91/06/65/412910665.db2.gz YEPYBNMCCYCROI-UHFFFAOYSA-N 0 1 274.408 2.633 20 30 CFEDMN N#Cc1ccc(CN2CCOC[C@@H]2C2CCC2)cc1 ZINC000335448431 379314535 /nfs/dbraw/zinc/31/45/35/379314535.db2.gz XNJSCWLHDZRFDN-MRXNPFEDSA-N 0 1 256.349 2.559 20 30 CFEDMN N#CCCC1CCN(C(=O)c2cccc3c[nH]nc32)CC1 ZINC000335502310 379413551 /nfs/dbraw/zinc/41/35/51/379413551.db2.gz ZJUZPNCYRKFVSH-UHFFFAOYSA-N 0 1 282.347 2.719 20 30 CFEDMN CC1=C(C)CN(Cc2cnc3ccc(C#N)cn23)CC1 ZINC000335725919 379789931 /nfs/dbraw/zinc/78/99/31/379789931.db2.gz LDVKINZNHWWNNL-UHFFFAOYSA-N 0 1 266.348 2.748 20 30 CFEDMN C[C@@H]1OCC[C@@]1(C)NCc1ccc(Cl)cc1C#N ZINC000334707184 379800720 /nfs/dbraw/zinc/80/07/20/379800720.db2.gz HJYCRFZEZJKOLC-IINYFYTJSA-N 0 1 264.756 2.869 20 30 CFEDMN CCN(CC)[C@H](CNCc1ccc(C#N)o1)c1ccco1 ZINC000174321254 379863844 /nfs/dbraw/zinc/86/38/44/379863844.db2.gz CEDVAQACFFZHCV-OAHLLOKOSA-N 0 1 287.363 2.917 20 30 CFEDMN C=CCCCC(=O)NC[C@@H](c1cccc(F)c1)N(C)C ZINC000175096209 379995985 /nfs/dbraw/zinc/99/59/85/379995985.db2.gz PVYDNJJJOUKTMW-HNNXBMFYSA-N 0 1 278.371 2.901 20 30 CFEDMN Cc1cnn([C@@H]2CC[N@@H+](Cc3ccc(C#N)c(C)c3)C2)c1 ZINC000335870268 380025661 /nfs/dbraw/zinc/02/56/61/380025661.db2.gz UPKNROGMXAFPPY-QGZVFWFLSA-N 0 1 280.375 2.819 20 30 CFEDMN N#Cc1ccc(CN2CCC[C@@H]2[C@H]2CCCO2)c(F)c1 ZINC000335933780 380123600 /nfs/dbraw/zinc/12/36/00/380123600.db2.gz UNQDPMWTRYSITK-HZPDHXFCSA-N 0 1 274.339 2.841 20 30 CFEDMN C[C@@H]1Cc2ccccc2N1C(=O)CN1CCC(CC#N)CC1 ZINC000336356162 380328797 /nfs/dbraw/zinc/32/87/97/380328797.db2.gz PKPBQCOFBTYJLD-CQSZACIVSA-N 0 1 297.402 2.590 20 30 CFEDMN C[C@@H](NCc1ccc(C#N)s1)C(=O)Nc1ccccc1 ZINC000176968449 380288719 /nfs/dbraw/zinc/28/87/19/380288719.db2.gz APLINTUREFKDIS-LLVKDONJSA-N 0 1 285.372 2.737 20 30 CFEDMN N#Cc1ccc(CN2CCC(c3ncc[nH]3)CC2)cc1F ZINC000336544401 380444213 /nfs/dbraw/zinc/44/42/13/380444213.db2.gz HJOULPJVKPDKMD-UHFFFAOYSA-N 0 1 284.338 2.800 20 30 CFEDMN C=C1CCN(C[C@@H](O)COc2ccc(Cl)cc2)CC1 ZINC000264485899 383746127 /nfs/dbraw/zinc/74/61/27/383746127.db2.gz RJOMWHXDLCGINT-CQSZACIVSA-N 0 1 281.783 2.732 20 30 CFEDMN N#Cc1ccc(CN2CC[C@@H]3OCCC[C@@H]3C2)c(F)c1 ZINC000177993898 380399902 /nfs/dbraw/zinc/39/99/02/380399902.db2.gz RXPFUUVQJQEKEH-ZBFHGGJFSA-N 0 1 274.339 2.698 20 30 CFEDMN CC(C)(O)[C@H]1CCC[N@H+]1Cc1ccc(C#N)cc1Cl ZINC000336577302 380493729 /nfs/dbraw/zinc/49/37/29/380493729.db2.gz KGGHQCPZTABUAZ-CQSZACIVSA-N 0 1 278.783 2.947 20 30 CFEDMN Cc1c(C#N)cccc1NC(=O)[C@H]1CCCc2[nH]ncc21 ZINC000178638866 380473736 /nfs/dbraw/zinc/47/37/36/380473736.db2.gz DFBUZHLPNVMMJW-LBPRGKRZSA-N 0 1 280.331 2.648 20 30 CFEDMN CNC(=O)C(C#N)c1nc(-c2ccc(Cl)cc2)cs1 ZINC000179472815 380546874 /nfs/dbraw/zinc/54/68/74/380546874.db2.gz RUKFFMFMIRYTJC-SNVBAGLBSA-N 0 1 291.763 2.817 20 30 CFEDMN C=C1C[C@H]2CC[C@@H](C1)N2C(=O)CN(C)CCc1ccccc1 ZINC000636235549 383747233 /nfs/dbraw/zinc/74/72/33/383747233.db2.gz FKNIXBWCQZJYPB-HDICACEKSA-N 0 1 298.430 2.871 20 30 CFEDMN CC(C)[C@H]1CN(Cc2ccccc2)CCN1C(=O)[C@@H](C)C#N ZINC000529701385 383748575 /nfs/dbraw/zinc/74/85/75/383748575.db2.gz FXLPMPQPRJYLBF-DOTOQJQBSA-N 0 1 299.418 2.515 20 30 CFEDMN C=CC[C@H](C)NC(=O)N(C)CCCN(C)Cc1ccco1 ZINC000287401880 380823917 /nfs/dbraw/zinc/82/39/17/380823917.db2.gz KTHLWFPLOJYATK-AWEZNQCLSA-N 0 1 293.411 2.708 20 30 CFEDMN CCOc1ccc(C#N)cc1NCc1cn[nH]c1C ZINC000181417348 380790071 /nfs/dbraw/zinc/79/00/71/380790071.db2.gz XIAHBHOBYMTCCH-UHFFFAOYSA-N 0 1 256.309 2.601 20 30 CFEDMN CCN1C[C@@H](C)N(Cc2ccc(C#N)s2)C[C@H]1C ZINC000353820074 380877408 /nfs/dbraw/zinc/87/74/08/380877408.db2.gz QXGDDCRDSNURFR-VXGBXAGGSA-N 0 1 263.410 2.534 20 30 CFEDMN CC[N@@H+](CCN[C@H](C)c1ccc(C#N)cc1F)C1CC1 ZINC000358558617 380925796 /nfs/dbraw/zinc/92/57/96/380925796.db2.gz CQMLWWQDFKNRBT-GFCCVEGCSA-N 0 1 275.371 2.832 20 30 CFEDMN C=CCC1(C(=O)N2CCN(CC(C)C)CC2)CCC1 ZINC000358503532 380889207 /nfs/dbraw/zinc/88/92/07/380889207.db2.gz OURBGYSJXPQAJQ-UHFFFAOYSA-N 0 1 264.413 2.533 20 30 CFEDMN CC(C)c1csc([C@@H](C#N)C(=O)c2c[nH]c(C#N)c2)n1 ZINC000181773384 380891159 /nfs/dbraw/zinc/89/11/59/380891159.db2.gz MVOVIEGNCMMVOS-NSHDSACASA-N 0 1 284.344 2.956 20 30 CFEDMN CC(C)c1csc(C(C#N)C(=O)c2c[nH]c(C#N)c2)n1 ZINC000181773384 380891162 /nfs/dbraw/zinc/89/11/62/380891162.db2.gz MVOVIEGNCMMVOS-NSHDSACASA-N 0 1 284.344 2.956 20 30 CFEDMN Cc1nc([C@@H]2CCCCN2Cc2ccccc2C#N)n[nH]1 ZINC000408473313 380930537 /nfs/dbraw/zinc/93/05/37/380930537.db2.gz IMJUOZUNHDVUNL-HNNXBMFYSA-N 0 1 281.363 2.712 20 30 CFEDMN Cc1cc(N2CCN(Cc3cccs3)CC2)cc(C#N)n1 ZINC000341348171 380954919 /nfs/dbraw/zinc/95/49/19/380954919.db2.gz RECPZPFAIADVEG-UHFFFAOYSA-N 0 1 298.415 2.645 20 30 CFEDMN CC#CCCN1CCN(c2ccc(Cl)cc2)CC1 ZINC000409445396 380959787 /nfs/dbraw/zinc/95/97/87/380959787.db2.gz SVLOWYJWHJWUBA-UHFFFAOYSA-N 0 1 262.784 2.875 20 30 CFEDMN C=C(CC)CN1CCN(Cc2ccc(C#N)cc2)CC1 ZINC000358622657 380973959 /nfs/dbraw/zinc/97/39/59/380973959.db2.gz FGPSQXOMZVUQHU-UHFFFAOYSA-N 0 1 269.392 2.642 20 30 CFEDMN C=C(CC)CN1CCN(CCOc2ccccc2)CC1 ZINC000358626323 380977290 /nfs/dbraw/zinc/97/72/90/380977290.db2.gz RRVYJXRHXILNIF-UHFFFAOYSA-N 0 1 274.408 2.649 20 30 CFEDMN CC1(C)CN(CCC2(C#N)CCCCC2)CCO1 ZINC000411123446 381009909 /nfs/dbraw/zinc/00/99/09/381009909.db2.gz CXMWKUJWDQOYSV-UHFFFAOYSA-N 0 1 250.386 2.961 20 30 CFEDMN CC[C@@H]1CN(C(C)=O)[C@@H](CC)CN1Cc1cccc(C#N)c1 ZINC000354117942 381090235 /nfs/dbraw/zinc/09/02/35/381090235.db2.gz UIXPNCGVLAOJGM-MSOLQXFVSA-N 0 1 299.418 2.780 20 30 CFEDMN CC[C@@H]1CN(C(C)=O)[C@@H](CC)CN1Cc1ccc(C#N)cc1 ZINC000354119652 381091219 /nfs/dbraw/zinc/09/12/19/381091219.db2.gz JCHNVVCCIMGAKC-MSOLQXFVSA-N 0 1 299.418 2.780 20 30 CFEDMN CO[C@@H]1CCN(Cc2ccc(F)c(C#N)c2)CC1(C)C ZINC000295835989 381105083 /nfs/dbraw/zinc/10/50/83/381105083.db2.gz CXWFJXBRKMFZEK-OAHLLOKOSA-N 0 1 276.355 2.944 20 30 CFEDMN C=CCN1CC[C@@H](N(C)Cc2ccc3occc3c2)C1=O ZINC000289789571 381159957 /nfs/dbraw/zinc/15/99/57/381159957.db2.gz RSYDAUZEFAVJDX-OAHLLOKOSA-N 0 1 284.359 2.652 20 30 CFEDMN C=CCC(C)(C)C(=O)N1CC(N(C)Cc2ccccc2)C1 ZINC000354295829 381188844 /nfs/dbraw/zinc/18/88/44/381188844.db2.gz JTEDNQQVRZOQAJ-UHFFFAOYSA-N 0 1 286.419 2.932 20 30 CFEDMN COc1cncc(CNC2(c3cccc(C#N)c3)CC2)c1 ZINC000289921859 381218951 /nfs/dbraw/zinc/21/89/51/381218951.db2.gz NWXPFSMTNCGECJ-UHFFFAOYSA-N 0 1 279.343 2.741 20 30 CFEDMN N#Cc1ccccc1CN1CCCO[C@H]2CCC[C@H]21 ZINC000369455923 381262002 /nfs/dbraw/zinc/26/20/02/381262002.db2.gz DVHJRIJAHADENB-CVEARBPZSA-N 0 1 256.349 2.702 20 30 CFEDMN Cc1cc(C(=O)C(C#N)c2ccncn2)c2ccccc2n1 ZINC000354460710 381286642 /nfs/dbraw/zinc/28/66/42/381286642.db2.gz FPFAKCTWUURARJ-AWEZNQCLSA-N 0 1 288.310 2.823 20 30 CFEDMN Cc1cc(C(=O)[C@@H](C#N)c2ccncn2)c2ccccc2n1 ZINC000354460710 381286649 /nfs/dbraw/zinc/28/66/49/381286649.db2.gz FPFAKCTWUURARJ-AWEZNQCLSA-N 0 1 288.310 2.823 20 30 CFEDMN C=CCN(C[C@@H](CC)CCCC)[C@@H]1CCS(=O)(=O)C1 ZINC000183638213 381299174 /nfs/dbraw/zinc/29/91/74/381299174.db2.gz IIKBATLFSROXQJ-LSDHHAIUSA-N 0 1 287.469 2.878 20 30 CFEDMN CC[C@H](CC#N)NC(=O)[C@@H]1CCCCN1Cc1ccccc1 ZINC000183859603 381330917 /nfs/dbraw/zinc/33/09/17/381330917.db2.gz VMMAIOPTUZCCOT-SJORKVTESA-N 0 1 299.418 2.850 20 30 CFEDMN C#C[C@H](NCc1c(C)nc2sc(C)nn12)C(C)(C)C ZINC000290198397 381339383 /nfs/dbraw/zinc/33/93/83/381339383.db2.gz PIURLIPVJZWIHH-LBPRGKRZSA-N 0 1 276.409 2.545 20 30 CFEDMN N#Cc1ccc(NC(=O)N[C@H]2CCCc3cn[nH]c32)cc1F ZINC000290200162 381339408 /nfs/dbraw/zinc/33/94/08/381339408.db2.gz PAGPCVSSIUMHFK-ZDUSSCGKSA-N 0 1 299.309 2.620 20 30 CFEDMN Cc1ccc(C(=O)N2CCC(c3cnc[nH]3)CC2)cc1C#N ZINC000369706583 381317254 /nfs/dbraw/zinc/31/72/54/381317254.db2.gz LJGIQLZWAFOQAQ-UHFFFAOYSA-N 0 1 294.358 2.610 20 30 CFEDMN COc1ccc(C#N)cc1NS(=O)(=O)CCC(C)(C)C ZINC000290483252 381446218 /nfs/dbraw/zinc/44/62/18/381446218.db2.gz GFTQZGXGQSFBEM-UHFFFAOYSA-N 0 1 296.392 2.745 20 30 CFEDMN C=CC[C@@H](CO)CNc1ccnc2cc(F)c(OC)cc21 ZINC000359572274 381478457 /nfs/dbraw/zinc/47/84/57/381478457.db2.gz AGPXXXSFKXATDR-LLVKDONJSA-N 0 1 290.338 2.979 20 30 CFEDMN C#CCOc1ccc(CN[C@@H](C)c2nccnc2C)cc1 ZINC000296635360 381481329 /nfs/dbraw/zinc/48/13/29/381481329.db2.gz XSBAEGCBOJCPLV-AWEZNQCLSA-N 0 1 281.359 2.648 20 30 CFEDMN N#CCc1ccc(CN2CCC[C@@H]2c2cc[nH]n2)cc1 ZINC000348152448 381465816 /nfs/dbraw/zinc/46/58/16/381465816.db2.gz PTOZQZTWKKMILQ-MRXNPFEDSA-N 0 1 266.348 2.813 20 30 CFEDMN C[C@@H](NCc1n[nH]c(C2CC2)n1)c1ccc(C#N)c(F)c1 ZINC000296600754 381467187 /nfs/dbraw/zinc/46/71/87/381467187.db2.gz VNWUNZCYCSNOKQ-SECBINFHSA-N 0 1 285.326 2.544 20 30 CFEDMN C=CCCN(C)[C@@H](C)C(=O)Nc1cc(F)ccc1C ZINC000342730434 381505776 /nfs/dbraw/zinc/50/57/76/381505776.db2.gz GUDSPVHKIYNTPB-LBPRGKRZSA-N 0 1 264.344 2.969 20 30 CFEDMN C=CCCN(C)[C@@H](C)C(=O)N1c2ccccc2C[C@H]1C ZINC000342734056 381508072 /nfs/dbraw/zinc/50/80/72/381508072.db2.gz GNXDRARHXCDFJB-KGLIPLIRSA-N 0 1 272.392 2.861 20 30 CFEDMN C[C@H](NCC#Cc1ccccc1Cl)c1cnn(C)c1 ZINC000348308016 381495721 /nfs/dbraw/zinc/49/57/21/381495721.db2.gz NORXIOJWYHTCKS-LBPRGKRZSA-N 0 1 273.767 2.776 20 30 CFEDMN C=C(Br)CN1CCCC[C@@H]1c1n[nH]c(C)n1 ZINC000370965255 381525583 /nfs/dbraw/zinc/52/55/83/381525583.db2.gz LWBQCFCMFNBPOB-SNVBAGLBSA-N 0 1 285.189 2.549 20 30 CFEDMN C=C[C@@H]1CCCCN1Cc1cc(OC)c(O)c(OC)c1 ZINC000348360199 381531144 /nfs/dbraw/zinc/53/11/44/381531144.db2.gz UZIFSWNHSOSBQY-CYBMUJFWSA-N 0 1 277.364 2.950 20 30 CFEDMN CCCCCn1cc(CNCc2cc(C#N)n(C)c2)c(C)n1 ZINC000359685708 381554258 /nfs/dbraw/zinc/55/42/58/381554258.db2.gz KSGXYNHLCREGBN-UHFFFAOYSA-N 0 1 299.422 2.882 20 30 CFEDMN CC(C)c1nc([C@H](C)NCc2ccc(C#N)s2)n[nH]1 ZINC000342819997 381568176 /nfs/dbraw/zinc/56/81/76/381568176.db2.gz FVOYTDNTINADDX-VIFPVBQESA-N 0 1 275.381 2.712 20 30 CFEDMN CC(C)c1nc([C@@H](C)NCc2ccc(C#N)cc2F)n[nH]1 ZINC000342828108 381571994 /nfs/dbraw/zinc/57/19/94/381571994.db2.gz XWPBPWRYEDACER-SNVBAGLBSA-N 0 1 287.342 2.790 20 30 CFEDMN CCN(CCC1CC1)CC(=O)Nc1oc(C)c(C)c1C#N ZINC000355062622 381590883 /nfs/dbraw/zinc/59/08/83/381590883.db2.gz KCOFGHXRCJCILQ-UHFFFAOYSA-N 0 1 289.379 2.829 20 30 CFEDMN C=CCN(CC=C)C(=O)[C@H](C)N1CC[C@@]2(C)[C@@H](C1)C2(F)F ZINC000298417370 381616781 /nfs/dbraw/zinc/61/67/81/381616781.db2.gz XNGZNOKVLNCCHJ-GUTXKFCHSA-N 0 1 298.377 2.553 20 30 CFEDMN N#Cc1ccc(CN2CC[C@H](n3cc4ccccc4n3)C2)o1 ZINC000371662599 381674328 /nfs/dbraw/zinc/67/43/28/381674328.db2.gz ZHYZIRHKRAXAKK-AWEZNQCLSA-N 0 1 292.342 2.948 20 30 CFEDMN N#CC1(CN2CC[C@@H](Cc3ccc(F)cc3)C2)CC1 ZINC000343323010 381674555 /nfs/dbraw/zinc/67/45/55/381674555.db2.gz TUTGRGHJJYMVEG-AWEZNQCLSA-N 0 1 258.340 2.994 20 30 CFEDMN CC(C)Cc1nsc(NCCc2cccc(C#N)c2)n1 ZINC000359929085 381684035 /nfs/dbraw/zinc/68/40/35/381684035.db2.gz DBHMRCTZVLZQPE-UHFFFAOYSA-N 0 1 286.404 2.685 20 30 CFEDMN C#CC[C@H](NCC(=O)N1CCCC[C@@H]1C)c1ccccc1 ZINC000298930715 381784184 /nfs/dbraw/zinc/78/41/84/381784184.db2.gz NVGFCAADOXNECA-RDJZCZTQSA-N 0 1 284.403 2.742 20 30 CFEDMN CC(C)C[C@@H]1COCCN1Cc1ccc(CC#N)cc1 ZINC000343547514 381787563 /nfs/dbraw/zinc/78/75/63/381787563.db2.gz GZNKWVGMRQWREG-QGZVFWFLSA-N 0 1 272.392 3.000 20 30 CFEDMN Cc1nc(N[C@H]2CCCN(C)[C@H]2C)c(Cl)cc1C#N ZINC000360081130 381761465 /nfs/dbraw/zinc/76/14/65/381761465.db2.gz CUHQPJTXYMCVNJ-GWCFXTLKSA-N 0 1 278.787 2.810 20 30 CFEDMN Cc1cccc2nc(CN[C@H]3CCC[C@@H](C#N)C3)cn21 ZINC000185885220 381767362 /nfs/dbraw/zinc/76/73/62/381767362.db2.gz KCFNBAAAHNSQTJ-KGLIPLIRSA-N 0 1 268.364 2.815 20 30 CFEDMN CC#CCSc1nc(C=Cc2ccc(C)o2)n[nH]1 ZINC000361448820 381829311 /nfs/dbraw/zinc/82/93/11/381829311.db2.gz HGFRHYNNRNJKRL-BQYQJAHWSA-N 0 1 259.334 2.992 20 30 CFEDMN CC(C)C[C@H](N)c1noc(-c2cccc(CC#N)c2)n1 ZINC000361606243 381849413 /nfs/dbraw/zinc/84/94/13/381849413.db2.gz FMGHGZPVJPLSMX-ZDUSSCGKSA-N 0 1 270.336 2.849 20 30 CFEDMN C=CCN(Cc1ccccc1F)C[C@H](O)CCOC(C)C ZINC000349219021 381853728 /nfs/dbraw/zinc/85/37/28/381853728.db2.gz VHFBIOCPUOSDAD-MRXNPFEDSA-N 0 1 295.398 2.990 20 30 CFEDMN N#CC(C(=O)c1ccn(C2CCCCC2)n1)c1ccncn1 ZINC000361791789 381863908 /nfs/dbraw/zinc/86/39/08/381863908.db2.gz FKKLSEASIBEIJC-ZDUSSCGKSA-N 0 1 295.346 2.668 20 30 CFEDMN C[C@H]1[C@H](C)N(c2nc(C(F)(F)F)ccc2C#N)CCN1C ZINC000356792115 381866425 /nfs/dbraw/zinc/86/64/25/381866425.db2.gz JHHGPXABPCMEKU-UWVGGRQHSA-N 0 1 298.312 2.501 20 30 CFEDMN Cc1oncc1C[N@H+]1CCCN(c2ccc(C#N)cc2)CC1 ZINC000372900301 381886976 /nfs/dbraw/zinc/88/69/76/381886976.db2.gz CFBDLXWMADWETJ-UHFFFAOYSA-N 0 1 296.374 2.567 20 30 CFEDMN Cc1oncc1CN1CCCN(c2ccc(C#N)cc2)CC1 ZINC000372900301 381886980 /nfs/dbraw/zinc/88/69/80/381886980.db2.gz CFBDLXWMADWETJ-UHFFFAOYSA-N 0 1 296.374 2.567 20 30 CFEDMN CC(C)[C@@]1(CO)CCCN(Cc2ccc(C#N)cc2F)C1 ZINC000292985179 381934561 /nfs/dbraw/zinc/93/45/61/381934561.db2.gz HSJBBSFREQJSDZ-KRWDZBQOSA-N 0 1 290.382 2.928 20 30 CFEDMN C=CCN(CC=C)C(=O)CN1C[C@H](C)C[C@@H]1c1cccnc1 ZINC000373412208 381998532 /nfs/dbraw/zinc/99/85/32/381998532.db2.gz JIXOJALIOKDVOR-NVXWUHKLSA-N 0 1 299.418 2.665 20 30 CFEDMN CC(C)[C@@H]1CN(Cc2ccccc2C#N)CCCO1 ZINC000293151327 382009738 /nfs/dbraw/zinc/00/97/38/382009738.db2.gz OEYLMULRRNZBKG-INIZCTEOSA-N 0 1 258.365 2.805 20 30 CFEDMN C[C@@H](C1CCC1)N(C)CC(=O)Nc1sccc1C#N ZINC000357048205 381987273 /nfs/dbraw/zinc/98/72/73/381987273.db2.gz ZGHFHPJTAKXQIN-JTQLQIEISA-N 0 1 277.393 2.679 20 30 CFEDMN C#CCN1CCC(C(=O)N2C[C@H]3CCCCCC[C@@H]32)CC1 ZINC000374584982 382050383 /nfs/dbraw/zinc/05/03/83/382050383.db2.gz JREUIESKDBEOPY-SJORKVTESA-N 0 1 288.435 2.513 20 30 CFEDMN C=C(C)CN(C)[C@@H]1CCCN(Cc2ccccc2)C1=O ZINC000374856209 382058762 /nfs/dbraw/zinc/05/87/62/382058762.db2.gz KMIJOCSGMCGWDZ-MRXNPFEDSA-N 0 1 272.392 2.686 20 30 CFEDMN CC(C)C[C@@H](CNc1ccc(C#N)cc1)N1CCOCC1 ZINC000301064847 382069941 /nfs/dbraw/zinc/06/99/41/382069941.db2.gz GLXNBDPCEDLLNW-KRWDZBQOSA-N 0 1 287.407 2.717 20 30 CFEDMN C=CCC[C@H](O)CN1CCc2c(cnn2-c2ccccc2)C1 ZINC000351472477 382040015 /nfs/dbraw/zinc/04/00/15/382040015.db2.gz OXTSOUQZUHAYRW-KRWDZBQOSA-N 0 1 297.402 2.558 20 30 CFEDMN C#CCCCCC(=O)N1CCC(c2cn[nH]c2C)CC1 ZINC000375822045 382105544 /nfs/dbraw/zinc/10/55/44/382105544.db2.gz CXCYZVXEIGVDOK-UHFFFAOYSA-N 0 1 273.380 2.618 20 30 CFEDMN C=CCC[C@H](N[C@@H]1CC(=O)N([C@H]2C[C@H]2C)C1)c1ccco1 ZINC000375852630 382108277 /nfs/dbraw/zinc/10/82/77/382108277.db2.gz NYSQQVRVFOBETF-KBXIAJHMSA-N 0 1 288.391 2.886 20 30 CFEDMN CN(CCOCc1ccc(C#N)cc1)Cc1cccnc1 ZINC000344072386 382108639 /nfs/dbraw/zinc/10/86/39/382108639.db2.gz NZVWQZVFQJHFBB-UHFFFAOYSA-N 0 1 281.359 2.602 20 30 CFEDMN C[C@H]1CN(CC(=O)Nc2ccc(C#N)cc2)CC(C)(C)C1 ZINC000344079422 382115191 /nfs/dbraw/zinc/11/51/91/382115191.db2.gz YICVLQMRWBVIAH-CYBMUJFWSA-N 0 1 285.391 2.865 20 30 CFEDMN C#CCNC(=O)CCN(C)Cc1cccc(Cl)c1Cl ZINC000293315510 382076211 /nfs/dbraw/zinc/07/62/11/382076211.db2.gz CAKULZADNXYFCU-UHFFFAOYSA-N 0 1 299.201 2.565 20 30 CFEDMN CCN(Cc1ccc(Cl)cc1C#N)CC(C)(C)O ZINC000187041415 382081748 /nfs/dbraw/zinc/08/17/48/382081748.db2.gz UYOIDCOQCAAEEU-UHFFFAOYSA-N 0 1 266.772 2.804 20 30 CFEDMN Cc1ccncc1CN(C)CCOCc1ccc(C#N)cc1 ZINC000344109797 382133091 /nfs/dbraw/zinc/13/30/91/382133091.db2.gz JGFGYDYQTAUZDY-UHFFFAOYSA-N 0 1 295.386 2.910 20 30 CFEDMN CN(Cc1ccc(Cl)cc1C#N)C[C@H]1CCC[C@@H]1O ZINC000187332145 382157205 /nfs/dbraw/zinc/15/72/05/382157205.db2.gz GAUPXBPMOIMUOT-DOMZBBRYSA-N 0 1 278.783 2.804 20 30 CFEDMN CC[C@]1(CO)CCCN(Cc2cn3ccccc3c2C#N)C1 ZINC000187641123 382233878 /nfs/dbraw/zinc/23/38/78/382233878.db2.gz NCSOJAJDCCVFAN-SFHVURJKSA-N 0 1 297.402 2.795 20 30 CFEDMN CC[C@@]1(C)CCN(CC(=O)Nc2ccc(C#N)cc2)C1 ZINC000344256940 382234533 /nfs/dbraw/zinc/23/45/33/382234533.db2.gz TWDXRDJOKWXFGF-INIZCTEOSA-N 0 1 271.364 2.619 20 30 CFEDMN C=C(C)CN(C)C(=O)NCc1nc2cccc(C)c2[nH]1 ZINC000352290050 382263501 /nfs/dbraw/zinc/26/35/01/382263501.db2.gz NSCGHQUPWBGLAP-UHFFFAOYSA-N 0 1 272.352 2.589 20 30 CFEDMN CCCN(CC#N)C(=O)c1ccc(Nc2ccncc2)cc1 ZINC000345798248 382313554 /nfs/dbraw/zinc/31/35/54/382313554.db2.gz MGMYXHVYCAROCP-UHFFFAOYSA-N 0 1 294.358 2.623 20 30 CFEDMN C[C@H](NC(=O)C(C#N)c1ncc(C(C)(C)C)s1)C1CC1 ZINC000419842285 382322847 /nfs/dbraw/zinc/32/28/47/382322847.db2.gz VLUJMUHPCWTKTK-GXSJLCMTSA-N 0 1 291.420 2.962 20 30 CFEDMN C[C@H](C#N)NC(=O)c1cccc2nc(-c3cccs3)[nH]c21 ZINC000352423339 382324292 /nfs/dbraw/zinc/32/42/92/382324292.db2.gz NNVGKBFMMHLQAO-SECBINFHSA-N 0 1 296.355 2.933 20 30 CFEDMN N#CC1(F)CCN(CCCOc2ccccc2)CC1 ZINC000352442624 382335083 /nfs/dbraw/zinc/33/50/83/382335083.db2.gz UQRMTCSIEDLUOL-UHFFFAOYSA-N 0 1 262.328 2.783 20 30 CFEDMN Cc1cnn(C)c1C(=O)[C@@H](C#N)c1nc(C(C)C)cs1 ZINC000420278415 382340326 /nfs/dbraw/zinc/34/03/26/382340326.db2.gz NXFUCMTTZVDQOD-SNVBAGLBSA-N 0 1 288.376 2.799 20 30 CFEDMN Cc1cnn(C)c1C(=O)C(C#N)c1nc(C(C)C)cs1 ZINC000420278415 382340331 /nfs/dbraw/zinc/34/03/31/382340331.db2.gz NXFUCMTTZVDQOD-SNVBAGLBSA-N 0 1 288.376 2.799 20 30 CFEDMN COc1ccccc1CCCN1CCC(F)(C#N)CC1 ZINC000352484047 382357445 /nfs/dbraw/zinc/35/74/45/382357445.db2.gz KWOBYGPBKCJGKE-UHFFFAOYSA-N 0 1 276.355 2.955 20 30 CFEDMN N#Cc1ccc(CN2CCC[C@H](c3ccncn3)C2)cc1F ZINC000365265808 382367760 /nfs/dbraw/zinc/36/77/60/382367760.db2.gz JFIXICPOMSRWPQ-HNNXBMFYSA-N 0 1 296.349 2.867 20 30 CFEDMN N#Cc1ccc(CN2CCC([C@@H]3CCCO3)CC2)o1 ZINC000188258607 382377975 /nfs/dbraw/zinc/37/79/75/382377975.db2.gz KIJPICFSWUVCAJ-HNNXBMFYSA-N 0 1 260.337 2.542 20 30 CFEDMN Cn1cc(-c2ccccc2CNCc2ccc(C#N)o2)cn1 ZINC000378267493 382427176 /nfs/dbraw/zinc/42/71/76/382427176.db2.gz BIXFPMPEYJGHEC-UHFFFAOYSA-N 0 1 292.342 2.842 20 30 CFEDMN CCN(C(=O)c1ccc(C#N)c(O)c1)c1nc(C)cs1 ZINC000188722630 382464272 /nfs/dbraw/zinc/46/42/72/382464272.db2.gz JOQZYBMIKYOIKA-UHFFFAOYSA-N 0 1 287.344 2.696 20 30 CFEDMN CCOc1ccccc1N(C)C(=O)c1ccc(C#N)c(O)c1 ZINC000188826351 382485943 /nfs/dbraw/zinc/48/59/43/382485943.db2.gz FNQYWGRNEIAWIC-UHFFFAOYSA-N 0 1 296.326 2.939 20 30 CFEDMN C[C@H](C1CC1)n1cc(NC(=O)c2ccc(C#N)c(O)c2)cn1 ZINC000188830848 382487578 /nfs/dbraw/zinc/48/75/78/382487578.db2.gz VWHKUBCUNHABCV-SNVBAGLBSA-N 0 1 296.330 2.684 20 30 CFEDMN C#CCN(Cc1ccc(F)cc1)C[C@H](O)CC(F)(F)F ZINC000188914414 382504167 /nfs/dbraw/zinc/50/41/67/382504167.db2.gz MJTPLPXPQXGYTO-CYBMUJFWSA-N 0 1 289.272 2.574 20 30 CFEDMN CC(C)c1nc(CNc2nc(Cl)c(C#N)s2)n[nH]1 ZINC000294875750 382538659 /nfs/dbraw/zinc/53/86/59/382538659.db2.gz DQDHAKRAAFUNBG-UHFFFAOYSA-N 0 1 282.760 2.522 20 30 CFEDMN CC(C)(C#N)CCCCN1CC[S@](=O)C(C)(C)CC1 ZINC000322164641 382539602 /nfs/dbraw/zinc/53/96/02/382539602.db2.gz NAQGVCWUVRTMKB-IBGZPJMESA-N 0 1 284.469 2.939 20 30 CFEDMN C=CCN(CC=C)C(=O)CN(CC)CCc1cccs1 ZINC000346869878 382552702 /nfs/dbraw/zinc/55/27/02/382552702.db2.gz JUMMYUVDQLZPIN-UHFFFAOYSA-N 0 1 292.448 2.813 20 30 CFEDMN C=C[C@@H](CO)N[C@H]1CCCc2ncc(C(F)(F)F)cc21 ZINC000353566535 382561033 /nfs/dbraw/zinc/56/10/33/382561033.db2.gz LXHLGUXCOFDAIP-GWCFXTLKSA-N 0 1 286.297 2.614 20 30 CFEDMN CCN(Cc1ccnc(OC)n1)[C@@H](C)c1ccc(C#N)cc1 ZINC000295007356 382561579 /nfs/dbraw/zinc/56/15/79/382561579.db2.gz ZATJORLTLZILIV-ZDUSSCGKSA-N 0 1 296.374 2.940 20 30 CFEDMN CCOC(=O)CC(C)(C)CCN(C[C@@H](C)C#N)C1CC1 ZINC000346961279 382587916 /nfs/dbraw/zinc/58/79/16/382587916.db2.gz FVRXABOESPQLRG-ZDUSSCGKSA-N 0 1 280.412 2.980 20 30 CFEDMN C=CC[C@H](C(=O)N[C@@H]1CCc2nc[nH]c2C1)c1ccccc1 ZINC000358370914 382591729 /nfs/dbraw/zinc/59/17/29/382591729.db2.gz BMDDJXTUOIZJBU-CABCVRRESA-N 0 1 295.386 2.743 20 30 CFEDMN C=C(C)CCNCc1csc(N(CC)C(C)=O)n1 ZINC000386827532 382592585 /nfs/dbraw/zinc/59/25/85/382592585.db2.gz HHMAFOMTSRBZJZ-UHFFFAOYSA-N 0 1 267.398 2.572 20 30 CFEDMN C#C[C@H](NCc1nc2ccccc2n1CC)C(C)C ZINC000387591269 382600540 /nfs/dbraw/zinc/60/05/40/382600540.db2.gz KAJXAEBNEVCEDR-ZDUSSCGKSA-N 0 1 255.365 2.804 20 30 CFEDMN C=CCC[C@@H](C(=O)N[C@H](C)c1nnc[nH]1)c1ccccc1 ZINC000190005115 382649878 /nfs/dbraw/zinc/64/98/78/382649878.db2.gz JSCOZVBEWSKRBH-TZMCWYRMSA-N 0 1 284.363 2.732 20 30 CFEDMN CCOc1ccc(CNCc2cc(C#N)n(C)c2)cc1F ZINC000190976492 382687129 /nfs/dbraw/zinc/68/71/29/382687129.db2.gz CUZOXBFKLHZHCU-UHFFFAOYSA-N 0 1 287.338 2.724 20 30 CFEDMN C=CCN(CCOC)Cc1ccc2c(c1)COC(C)(C)O2 ZINC000191759763 382702325 /nfs/dbraw/zinc/70/23/25/382702325.db2.gz JIARQGIIMWUFDK-UHFFFAOYSA-N 0 1 291.391 2.966 20 30 CFEDMN C=CCN(CCOC)Cc1ccc2ccccc2n1 ZINC000191756274 382702361 /nfs/dbraw/zinc/70/23/61/382702361.db2.gz JMLFTMKPYDBGTG-UHFFFAOYSA-N 0 1 256.349 2.869 20 30 CFEDMN C=CC[N@H+](CCOC)Cc1cnc2c(cnn2C(C)C)c1 ZINC000191758471 382702421 /nfs/dbraw/zinc/70/24/21/382702421.db2.gz LOCIBMOPUYILNH-UHFFFAOYSA-N 0 1 288.395 2.647 20 30 CFEDMN C=CCN(CCOC)Cc1cnc2c(cnn2C(C)C)c1 ZINC000191758471 382702422 /nfs/dbraw/zinc/70/24/22/382702422.db2.gz LOCIBMOPUYILNH-UHFFFAOYSA-N 0 1 288.395 2.647 20 30 CFEDMN C=CCN1CC[C@H](N(CC)[C@H](C)c2ccc(F)cc2)C1=O ZINC000337122503 382763555 /nfs/dbraw/zinc/76/35/55/382763555.db2.gz BHUWILYWZQRXTA-CJNGLKHVSA-N 0 1 290.382 2.996 20 30 CFEDMN O[C@@H]1CCC[C@@H]1[C@@H]1CCC[N@H+]1CC#Cc1ccccc1 ZINC000228486191 382847119 /nfs/dbraw/zinc/84/71/19/382847119.db2.gz JJNLNOPTCMETGD-FGTMMUONSA-N 0 1 269.388 2.664 20 30 CFEDMN CC[C@H](CNCc1ccc(C#N)o1)NC(=O)OC(C)(C)C ZINC000227717769 382840357 /nfs/dbraw/zinc/84/03/57/382840357.db2.gz FYHUZEBUFIGRIB-LLVKDONJSA-N 0 1 293.367 2.544 20 30 CFEDMN CC1(C)CC[N@@H+](C[C@@H](O)c2ccc(C#N)cc2)CCS1 ZINC000228088475 382844529 /nfs/dbraw/zinc/84/45/29/382844529.db2.gz UZDSSHCGJBZGSU-OAHLLOKOSA-N 0 1 290.432 2.809 20 30 CFEDMN CN1CCC(C#N)(NC(=O)CC2CCC(C)(C)CC2)CC1 ZINC000533556012 382903758 /nfs/dbraw/zinc/90/37/58/382903758.db2.gz PTMPTYCLZJNECC-UHFFFAOYSA-N 0 1 291.439 2.697 20 30 CFEDMN Cc1cc(CNC(C)(C)c2cnn(C)c2)ccc1C#N ZINC000577573745 382863471 /nfs/dbraw/zinc/86/34/71/382863471.db2.gz HOZDPYFCWLPVQX-UHFFFAOYSA-N 0 1 268.364 2.625 20 30 CFEDMN C=CCNC(=O)[C@@H](C)N(C)C/C(C)=C/c1ccccc1 ZINC000494268813 382911178 /nfs/dbraw/zinc/91/11/78/382911178.db2.gz RTRYNRDAPQENTM-OKFGHLOFSA-N 0 1 272.392 2.712 20 30 CFEDMN C=C(C)C[N@H+](CC)Cc1ccc(-n2cncn2)c(F)c1 ZINC000536633700 382956625 /nfs/dbraw/zinc/95/66/25/382956625.db2.gz GNKBDSCPBYBWRX-UHFFFAOYSA-N 0 1 274.343 2.804 20 30 CFEDMN CN(CC(C)(C)CNC(=O)OC(C)(C)C)CC1(C#N)CC1 ZINC000494608535 382914889 /nfs/dbraw/zinc/91/48/89/382914889.db2.gz SDLLPXITACPYPY-UHFFFAOYSA-N 0 1 295.427 2.773 20 30 CFEDMN CCC[C@@]1(C)C(=O)NCCN1CCCCC(C)(C)C#N ZINC000444685902 382977725 /nfs/dbraw/zinc/97/77/25/382977725.db2.gz BJISKQINYKTFQN-INIZCTEOSA-N 0 1 279.428 2.697 20 30 CFEDMN C=CCCC[C@@H](C)N1CCC(S(=O)(=O)CC)CC1 ZINC000444803856 382981643 /nfs/dbraw/zinc/98/16/43/382981643.db2.gz GTEATTYPEOZHCU-CYBMUJFWSA-N 0 1 273.442 2.630 20 30 CFEDMN C[C@@H]1CN(Cc2ccc(CC#N)cc2)[C@@H](C)[C@H](C)O1 ZINC000446075250 382987877 /nfs/dbraw/zinc/98/78/77/382987877.db2.gz XAIPREACHXDRBW-RDBSUJKOSA-N 0 1 258.365 2.750 20 30 CFEDMN CC[C@]1(O)CCN(CC#Cc2ccc(C(F)(F)F)cc2)C1 ZINC000495198275 382969779 /nfs/dbraw/zinc/96/97/79/382969779.db2.gz AJWBDDMGIFRANQ-HNNXBMFYSA-N 0 1 297.320 2.904 20 30 CFEDMN N#Cc1cc(Cl)ccc1NCCN1CC=CCC1 ZINC000338709577 383029691 /nfs/dbraw/zinc/02/96/91/383029691.db2.gz CWDDCHTYGMUPPY-UHFFFAOYSA-N 0 1 261.756 2.885 20 30 CFEDMN C[C@@H](C(=O)Nc1cccc(C#N)c1)N1CC[C@@H](C)[C@H](C)C1 ZINC000245870032 383041799 /nfs/dbraw/zinc/04/17/99/383041799.db2.gz GSMUNRVBGGGVCN-MCIONIFRSA-N 0 1 285.391 2.863 20 30 CFEDMN C[C@H](C(=O)Nc1cccc(C#N)c1)N1CC[C@@H](C)[C@H](C)C1 ZINC000245870036 383042277 /nfs/dbraw/zinc/04/22/77/383042277.db2.gz GSMUNRVBGGGVCN-MGPQQGTHSA-N 0 1 285.391 2.863 20 30 CFEDMN CCN(C[C@@H](C)C#N)CC1(CNC(=O)OC(C)(C)C)CC1 ZINC000496256809 383080413 /nfs/dbraw/zinc/08/04/13/383080413.db2.gz UTZXKRIBPCAZTP-ZDUSSCGKSA-N 0 1 295.427 2.773 20 30 CFEDMN C=CCCN1[C@H](C(=O)OC)CC[C@H]1c1ccccc1 ZINC000338544284 383022421 /nfs/dbraw/zinc/02/24/21/383022421.db2.gz YUEYGABZFQXGEH-GJZGRUSLSA-N 0 1 259.349 2.941 20 30 CFEDMN CC(C)C[C@H]1CCCN(CC(=O)N[C@](C)(C#N)C2CC2)C1 ZINC000246924298 383121368 /nfs/dbraw/zinc/12/13/68/383121368.db2.gz BSGNLDDVJCCKOG-RHSMWYFYSA-N 0 1 291.439 2.553 20 30 CFEDMN CC(C)(C)OC(=O)N1CCC[C@@H](CCNCCC#N)C1 ZINC000496601659 383121644 /nfs/dbraw/zinc/12/16/44/383121644.db2.gz AVHVKRLIQOHEOM-ZDUSSCGKSA-N 0 1 281.400 2.527 20 30 CFEDMN C=C[C@@H]1CCCCN1CCNC(=O)OC(C)(C)C ZINC000496760087 383124712 /nfs/dbraw/zinc/12/47/12/383124712.db2.gz SGLDHQATGXZLBX-GFCCVEGCSA-N 0 1 254.374 2.552 20 30 CFEDMN COc1ccccc1[C@H](CNc1cnccc1C#N)N(C)C ZINC000339038338 383128422 /nfs/dbraw/zinc/12/84/22/383128422.db2.gz AKAUILLQMRDZDE-INIZCTEOSA-N 0 1 296.374 2.677 20 30 CFEDMN C[C@@H]1CCN(C(=O)OC(C)(C)C)[C@H](C)[C@H]1NCCC#N ZINC000497089766 383129484 /nfs/dbraw/zinc/12/94/84/383129484.db2.gz BZKGMOSJKKVZQH-UPJWGTAASA-N 0 1 281.400 2.524 20 30 CFEDMN N#Cc1cnc(Nc2cnn(-c3ccncc3)c2)c(Cl)c1 ZINC000609632301 383134424 /nfs/dbraw/zinc/13/44/24/383134424.db2.gz XMUFIEGTMAIYQR-UHFFFAOYSA-N 0 1 296.721 2.931 20 30 CFEDMN N#CCC[C@@H](C#N)CNC[C@H]1CC[C@@H](c2ccccc2)O1 ZINC000582392819 383087110 /nfs/dbraw/zinc/08/71/10/383087110.db2.gz XEZDKQUVFIYUCB-UAGQMJEPSA-N 0 1 283.375 2.940 20 30 CFEDMN C=CCCC[C@H](C)[N@H+]1CCSC[C@@H]1CC(=O)[O-] ZINC000583268405 383089158 /nfs/dbraw/zinc/08/91/58/383089158.db2.gz OOLVAVWTSLSDOB-RYUDHWBXSA-N 0 1 257.399 2.623 20 30 CFEDMN C=C[C@@H](CC(=O)N1CCN(C)C[C@H]1CC)c1ccccc1 ZINC000583773488 383092642 /nfs/dbraw/zinc/09/26/42/383092642.db2.gz ZIVYFHSAIJLKBW-DOTOQJQBSA-N 0 1 286.419 2.899 20 30 CFEDMN C=CC[N@H+](CCc1ccccc1)[C@@H](C(=O)[O-])C1CC1 ZINC000584534889 383112143 /nfs/dbraw/zinc/11/21/43/383112143.db2.gz IRIRHNCXLIURRT-OAHLLOKOSA-N 0 1 259.349 2.580 20 30 CFEDMN Cc1cccc(OC[C@H](C)NC[C@H](C#N)CCC#N)c1 ZINC000564845486 383172961 /nfs/dbraw/zinc/17/29/61/383172961.db2.gz BFDVOEIFZBJWQJ-GJZGRUSLSA-N 0 1 271.364 2.795 20 30 CFEDMN C=CCCC[N@H+](C)[C@H](C(=O)[O-])c1cc(OC)cc(OC)c1 ZINC000565103832 383175570 /nfs/dbraw/zinc/17/55/70/383175570.db2.gz BLEKTMGTZBCZEK-HNNXBMFYSA-N 0 1 293.363 2.728 20 30 CFEDMN CC[C@H](CC#N)N[C@H](C)Cc1ccccc1[N+](=O)[O-] ZINC000449243525 383185883 /nfs/dbraw/zinc/18/58/83/383185883.db2.gz LLGKRGAIDLMUEK-DGCLKSJQSA-N 0 1 261.325 2.808 20 30 CFEDMN CN1CCC(C#N)(NC(=O)c2ccc(C3CCC3)cc2)CC1 ZINC000562312640 383156858 /nfs/dbraw/zinc/15/68/58/383156858.db2.gz BLYSEKSPCUCAST-UHFFFAOYSA-N 0 1 297.402 2.672 20 30 CFEDMN C=CCN(Cc1ccccc1)C(=O)[C@@H](C)Cc1cnc[nH]1 ZINC000515355020 383159564 /nfs/dbraw/zinc/15/95/64/383159564.db2.gz PMSGXZHABXCWGZ-AWEZNQCLSA-N 0 1 283.375 2.803 20 30 CFEDMN C=C(C)CC[N@@H+](CC(=O)[O-])Cc1cc(OC)cc(OC)c1 ZINC000516188456 383163342 /nfs/dbraw/zinc/16/33/42/383163342.db2.gz DKGWZACOOOOHDS-UHFFFAOYSA-N 0 1 293.363 2.557 20 30 CFEDMN CC(C)C[C@@H]1OCCC[C@@H]1NC[C@H](C#N)CCC#N ZINC000563014627 383163874 /nfs/dbraw/zinc/16/38/74/383163874.db2.gz ZNQUQLAVHFITLX-KKUMJFAQSA-N 0 1 263.385 2.613 20 30 CFEDMN C[C@]1(CO)CCCN1Cc1ccc(C#N)cc1C(F)(F)F ZINC000516357681 383164205 /nfs/dbraw/zinc/16/42/05/383164205.db2.gz FGHGASCDGRNOSI-CQSZACIVSA-N 0 1 298.308 2.924 20 30 CFEDMN CN(Cc1ccc(Cl)cc1C#N)C[C@@H]1CCC[C@H]1O ZINC000248547216 383257552 /nfs/dbraw/zinc/25/75/52/383257552.db2.gz GAUPXBPMOIMUOT-SWLSCSKDSA-N 0 1 278.783 2.804 20 30 CFEDMN CCN(CCCOc1ccc2c(c1)OCO2)C[C@@H](C)C#N ZINC000248247528 383221894 /nfs/dbraw/zinc/22/18/94/383221894.db2.gz KDLYMYSSRKAQSM-ZDUSSCGKSA-N 0 1 290.363 2.666 20 30 CFEDMN C=CCN(CC=C)C(=O)[C@H](C)N[C@@H](C)c1cnc(C)s1 ZINC000634577888 383242745 /nfs/dbraw/zinc/24/27/45/383242745.db2.gz VHORMYIXUFASPN-RYUDHWBXSA-N 0 1 293.436 2.691 20 30 CFEDMN CCO[C@H]1CCN(Cc2ccc(C#N)s2)C[C@@H]1C ZINC000449493962 383331585 /nfs/dbraw/zinc/33/15/85/383331585.db2.gz MLOFARSCRNXGLJ-FZMZJTMJSA-N 0 1 264.394 2.867 20 30 CFEDMN C=C(C)CN(CC)C(=O)c1cc2[nH]cnc2cc1F ZINC000425150777 383333437 /nfs/dbraw/zinc/33/34/37/383333437.db2.gz VMBSUSNCVHQBBE-UHFFFAOYSA-N 0 1 261.300 2.740 20 30 CFEDMN Cc1n[nH]c(C(C)C)c1C(=O)N1CCC(CCC#N)CC1 ZINC000567948438 383336077 /nfs/dbraw/zinc/33/60/77/383336077.db2.gz DZAFUKRJGYAFHK-UHFFFAOYSA-N 0 1 288.395 2.998 20 30 CFEDMN C=C(C)C(C)(C)C(=O)Nc1ncc(C(F)(F)F)[nH]1 ZINC000425202301 383340447 /nfs/dbraw/zinc/34/04/47/383340447.db2.gz KNCADHWMZLOVTN-UHFFFAOYSA-N 0 1 261.247 2.969 20 30 CFEDMN CCc1cc(C(=O)N(C)[C@@H](C)c2cccc(C#N)c2)n[nH]1 ZINC000425121371 383325898 /nfs/dbraw/zinc/32/58/98/383325898.db2.gz CCVMJSFKPLHWCN-NSHDSACASA-N 0 1 282.347 2.677 20 30 CFEDMN CCN(C[C@H](C)C#N)C[C@@H](O)[C@H](C)c1ccccc1 ZINC000450330221 383391042 /nfs/dbraw/zinc/39/10/42/383391042.db2.gz SPPHXCPNXCGLOK-IIAWOOMASA-N 0 1 260.381 2.633 20 30 CFEDMN CCN(C[C@H](O)[C@@H](C)c1ccccc1)C[C@H](C)C#N ZINC000450330225 383391096 /nfs/dbraw/zinc/39/10/96/383391096.db2.gz SPPHXCPNXCGLOK-YCPHGPKFSA-N 0 1 260.381 2.633 20 30 CFEDMN C=CCNC(=O)CN[C@H](C)c1cc2ccc(C)cc2o1 ZINC000426045089 383394261 /nfs/dbraw/zinc/39/42/61/383394261.db2.gz NJGREVPYWBUUAV-GFCCVEGCSA-N 0 1 272.348 2.694 20 30 CFEDMN C[C@H]1CN(Cc2ccccc2)CCN1CC1(C#N)CCC1 ZINC000450423352 383404420 /nfs/dbraw/zinc/40/44/20/383404420.db2.gz OOMMSWOVJADJNS-INIZCTEOSA-N 0 1 283.419 2.887 20 30 CFEDMN C=C[C@H]1CCCCN1Cc1cnc2nc(C)cc(C)n12 ZINC000426561906 383404860 /nfs/dbraw/zinc/40/48/60/383404860.db2.gz YLNNUSXZZFPVJE-AWEZNQCLSA-N 0 1 270.380 2.887 20 30 CFEDMN C=CCC1(C(=O)Nc2nnc(CC)[nH]2)CCCCC1 ZINC000450133214 383382669 /nfs/dbraw/zinc/38/26/69/383382669.db2.gz GMQQKOBRLLZIHO-UHFFFAOYSA-N 0 1 262.357 2.832 20 30 CFEDMN C=CCC1(C(=O)Nc2nc(CC)n[nH]2)CCCCC1 ZINC000450133214 383382672 /nfs/dbraw/zinc/38/26/72/383382672.db2.gz GMQQKOBRLLZIHO-UHFFFAOYSA-N 0 1 262.357 2.832 20 30 CFEDMN C=CCCCN1Cc2ccccc2C[C@@H]1C(=O)NCC ZINC000425539522 383384177 /nfs/dbraw/zinc/38/41/77/383384177.db2.gz MVTUQEAEHVXMNK-MRXNPFEDSA-N 0 1 272.392 2.516 20 30 CFEDMN C=C(C)C(C)(C)C(=O)N1C[C@@H](C)N(CC)C[C@H]1C ZINC000425570697 383386159 /nfs/dbraw/zinc/38/61/59/383386159.db2.gz MRMATLUFAHOYGY-CHWSQXEVSA-N 0 1 252.402 2.530 20 30 CFEDMN C[C@]1(CCCO)CCCN1Cc1cccc(F)c1C#N ZINC000428300443 383446099 /nfs/dbraw/zinc/44/60/99/383446099.db2.gz MIKHWOWENYXYBM-MRXNPFEDSA-N 0 1 276.355 2.824 20 30 CFEDMN C=CCC1(C(=O)N2C[C@@H](C)N(C)C[C@@H]2C)CCCC1 ZINC000450539673 383452335 /nfs/dbraw/zinc/45/23/35/383452335.db2.gz KSVVUOOKNOEIFY-KGLIPLIRSA-N 0 1 264.413 2.674 20 30 CFEDMN Cc1ccc([C@@H]2CCCN2CC(=O)NC2(C#N)CCC2)cc1 ZINC000527377183 383469454 /nfs/dbraw/zinc/46/94/54/383469454.db2.gz FGPPTDLOFLRZBC-INIZCTEOSA-N 0 1 297.402 2.694 20 30 CFEDMN CC(C)C[C@@H](CO)N(C)Cc1cccc(F)c1C#N ZINC000428443484 383473976 /nfs/dbraw/zinc/47/39/76/383473976.db2.gz RURURSOZZZKLLS-ZDUSSCGKSA-N 0 1 264.344 2.536 20 30 CFEDMN C=CCOc1ccc(CN2CCC(O)(C(F)F)CC2)cc1 ZINC000428447390 383475378 /nfs/dbraw/zinc/47/53/78/383475378.db2.gz MAWBQDDIQBBPOO-UHFFFAOYSA-N 0 1 297.345 2.843 20 30 CFEDMN C=C(C)CNC(=O)c1ccc(Nc2ccncc2)cc1 ZINC000428112405 383421543 /nfs/dbraw/zinc/42/15/43/383421543.db2.gz KZMOPRWUCIBUEO-UHFFFAOYSA-N 0 1 267.332 2.553 20 30 CFEDMN C[C@H]1CC[C@H](N(C)CC(=O)Nc2sccc2C#N)C1 ZINC000429579567 383549488 /nfs/dbraw/zinc/54/94/88/383549488.db2.gz RCGREUWCXQLGSJ-JQWIXIFHSA-N 0 1 277.393 2.679 20 30 CFEDMN C=CCCN1[C@H](C)CN(C(=O)C(C)(C)C)C[C@@H]1C ZINC000429392385 383527354 /nfs/dbraw/zinc/52/73/54/383527354.db2.gz FTJGVCOFTOQCEL-BETUJISGSA-N 0 1 252.402 2.530 20 30 CFEDMN CC#CCN(C)C(=O)c1cc(-c2ccc(C)c(C)c2)[nH]n1 ZINC000341009532 383528347 /nfs/dbraw/zinc/52/83/47/383528347.db2.gz UEOHXKTVNLQHHO-UHFFFAOYSA-N 0 1 281.359 2.789 20 30 CFEDMN CC(=O)c1cc(NC(=O)c2ccc(C#N)c(O)c2)ccc1F ZINC000341073636 383554928 /nfs/dbraw/zinc/55/49/28/383554928.db2.gz GDBYSLMAASLXTI-UHFFFAOYSA-N 0 1 298.273 2.858 20 30 CFEDMN Cn1c2ccccc2nc1C(C#N)C(=O)c1ccc(C#N)o1 ZINC000429671261 383557724 /nfs/dbraw/zinc/55/77/24/383557724.db2.gz JVXARKVZLNIHSX-NSHDSACASA-N 0 1 290.282 2.528 20 30 CFEDMN Cn1c2ccccc2nc1[C@@H](C#N)C(=O)c1ccc(C#N)o1 ZINC000429671261 383557728 /nfs/dbraw/zinc/55/77/28/383557728.db2.gz JVXARKVZLNIHSX-NSHDSACASA-N 0 1 290.282 2.528 20 30 CFEDMN C[C@@H](C(=O)NC1CCC(C)CC1)N1CCC(CC#N)CC1 ZINC000570078919 383568252 /nfs/dbraw/zinc/56/82/52/383568252.db2.gz DDGWYWUMGVFVNU-BBBYJDLNSA-N 0 1 291.439 2.695 20 30 CFEDMN CCO[C@@H]1CC[N@@H+](Cc2cc(C#N)ccc2OC)C[C@H]1C ZINC000451527908 383636739 /nfs/dbraw/zinc/63/67/39/383636739.db2.gz HQXZPEARXHPCIQ-CZUORRHYSA-N 0 1 288.391 2.814 20 30 CFEDMN CCO[C@@H]1CCN(Cc2cc(C#N)ccc2OC)C[C@H]1C ZINC000451527908 383636742 /nfs/dbraw/zinc/63/67/42/383636742.db2.gz HQXZPEARXHPCIQ-CZUORRHYSA-N 0 1 288.391 2.814 20 30 CFEDMN C[C@H](NCCOc1ccccc1C#N)c1ncccc1F ZINC000528823773 383647613 /nfs/dbraw/zinc/64/76/13/383647613.db2.gz HKCFBLMAEJKDLQ-LBPRGKRZSA-N 0 1 285.322 2.822 20 30 CFEDMN C=CCN1CC[C@@H](N[C@@H](CC)c2ccc(F)cc2F)C1=O ZINC000280900528 195021797 /nfs/dbraw/zinc/02/17/97/195021797.db2.gz BMVZVOPFAGMYNO-LSDHHAIUSA-N 0 1 294.345 2.792 20 30 CFEDMN C=CCN1CC[C@H](N[C@H](CC)c2ccc(F)cc2F)C1=O ZINC000280900514 195022676 /nfs/dbraw/zinc/02/26/76/195022676.db2.gz BMVZVOPFAGMYNO-CABCVRRESA-N 0 1 294.345 2.792 20 30 CFEDMN CC[C@H](CC#N)NC[C@@H](O)COc1cc(C)ccc1Cl ZINC000570981828 383652655 /nfs/dbraw/zinc/65/26/55/383652655.db2.gz XWMDURIBWFUSDS-CHWSQXEVSA-N 0 1 296.798 2.670 20 30 CFEDMN COc1ccc([C@@H](NCc2ccnc(C#N)c2)C2CC2)cn1 ZINC000528848735 383653259 /nfs/dbraw/zinc/65/32/59/383653259.db2.gz CVIZRVVXWFFJGZ-KRWDZBQOSA-N 0 1 294.358 2.598 20 30 CFEDMN C=C(C)[C@@H](NC(=O)[C@@H](C)N(C)C)c1ccc(F)c(F)c1 ZINC000635814505 383654337 /nfs/dbraw/zinc/65/43/37/383654337.db2.gz OPFLIBPKSVLJSC-QMTHXVAHSA-N 0 1 282.334 2.648 20 30 CFEDMN CO[C@@H]1[C@H](C)[C@@H](NCc2cccc(F)c2C#N)C1(C)C ZINC000451499037 383628722 /nfs/dbraw/zinc/62/87/22/383628722.db2.gz LADHJQXPGNLFJB-VCTAVGKDSA-N 0 1 276.355 2.846 20 30 CFEDMN CO[C@H]1C[C@@H](NCc2ccc(F)cc2C#N)C1(C)C ZINC000451504578 383630868 /nfs/dbraw/zinc/63/08/68/383630868.db2.gz QZXSXJWCCFULLP-KGLIPLIRSA-N 0 1 262.328 2.600 20 30 CFEDMN CCO[C@H]1CC[N@@H+](CCOc2cccc(C#N)c2)C[C@H]1C ZINC000451527937 383636181 /nfs/dbraw/zinc/63/61/81/383636181.db2.gz HRUDURBTYUREMF-PBHICJAKSA-N 0 1 288.391 2.684 20 30 CFEDMN C=C1CCN(C[C@@H](O)COc2ccccc2Cl)CC1 ZINC000264576591 383757567 /nfs/dbraw/zinc/75/75/67/383757567.db2.gz WUMMIFPAEGKZSB-CYBMUJFWSA-N 0 1 281.783 2.732 20 30 CFEDMN C[C@@H](CN(C)Cn1cccc(C#N)c1=O)C1CCCCC1 ZINC000530109209 383765750 /nfs/dbraw/zinc/76/57/50/383765750.db2.gz XYILSJNCJHVGDJ-AWEZNQCLSA-N 0 1 287.407 2.826 20 30 CFEDMN C=CC[C@@H](CC)NC(=O)CN(C)CCc1ccccc1 ZINC000635892478 383660326 /nfs/dbraw/zinc/66/03/26/383660326.db2.gz ZECQIIUUFJUTPK-MRXNPFEDSA-N 0 1 274.408 2.632 20 30 CFEDMN CC[C@H](N[C@@H](C)c1ccc(C#N)cc1F)[C@@H](O)C(F)F ZINC000453267215 383823173 /nfs/dbraw/zinc/82/31/73/383823173.db2.gz HLQUWHNNCMAPGS-AQUOVQTQSA-N 0 1 286.297 2.753 20 30 CFEDMN C[C@H]1CCC[N@@H+](CCNc2ncc(C#N)cc2Cl)C1 ZINC000265147184 383842846 /nfs/dbraw/zinc/84/28/46/383842846.db2.gz RWIBXDQXKNQZQZ-NSHDSACASA-N 0 1 278.787 2.750 20 30 CFEDMN C[C@H]1CCCN(CCNc2ncc(C#N)cc2Cl)C1 ZINC000265147184 383842850 /nfs/dbraw/zinc/84/28/50/383842850.db2.gz RWIBXDQXKNQZQZ-NSHDSACASA-N 0 1 278.787 2.750 20 30 CFEDMN C=CCC(C)(C)C(=O)N1C[C@@H](C)N(CC)[C@@H](C)C1 ZINC000640617446 383849964 /nfs/dbraw/zinc/84/99/64/383849964.db2.gz SRQKNAIIZMVKPV-BETUJISGSA-N 0 1 252.402 2.530 20 30 CFEDMN CC(C)(NCCOc1ccccc1C#N)c1nccs1 ZINC000265504172 383934615 /nfs/dbraw/zinc/93/46/15/383934615.db2.gz PVDUEGDURYPHCP-UHFFFAOYSA-N 0 1 287.388 2.918 20 30 CFEDMN C=CCCC(C)(C)CNC(=O)CN(C)C1CCC1 ZINC000640892750 383949605 /nfs/dbraw/zinc/94/96/05/383949605.db2.gz DJXSNDKVWQBNIR-UHFFFAOYSA-N 0 1 252.402 2.579 20 30 CFEDMN N#Cc1ccc(N[C@@H]2CCCC[C@H]2N2CCOCC2)cc1 ZINC000532422055 384026620 /nfs/dbraw/zinc/02/66/20/384026620.db2.gz YFIFHDIEGFZKJQ-IAGOWNOFSA-N 0 1 285.391 2.614 20 30 CFEDMN CC(C)C1CCC(N2CCN(C(=O)[C@H](C)C#N)CC2)CC1 ZINC000440000016 384054354 /nfs/dbraw/zinc/05/43/54/384054354.db2.gz YHALDGRHMPZFLL-QQFBHYJXSA-N 0 1 291.439 2.505 20 30 CFEDMN CN(CCN(C)c1ccccc1)Cc1ccc(C#N)cn1 ZINC000574217151 384063739 /nfs/dbraw/zinc/06/37/39/384063739.db2.gz GVLOLSJKRHPBPM-UHFFFAOYSA-N 0 1 280.375 2.521 20 30 CFEDMN C=CCCC(C)(C)CNC(=O)N[C@@H](C)c1n[nH]c(CC)n1 ZINC000637620666 384137884 /nfs/dbraw/zinc/13/78/84/384137884.db2.gz GFKHQKXBUIOUPW-NSHDSACASA-N 0 1 293.415 2.720 20 30 CFEDMN CSCCCN(C)Cc1cc(C#N)ccc1F ZINC000266550824 384196625 /nfs/dbraw/zinc/19/66/25/384196625.db2.gz UHJQLPQQQMKCPO-UHFFFAOYSA-N 0 1 252.358 2.882 20 30 CFEDMN CCC#C[C@H](C)N1CC[C@H](OCc2c(C)noc2C)C1 ZINC000680819738 542368492 /nfs/dbraw/zinc/36/84/92/542368492.db2.gz AOVFRUQPKYMHTN-WFASDCNBSA-N 0 1 276.380 2.684 20 30 CFEDMN CC[C@H](C)c1nc([C@@H](C)Nc2ccc(C#N)cn2)n[nH]1 ZINC000277462465 384308560 /nfs/dbraw/zinc/30/85/60/384308560.db2.gz QPMNHBKXGJHJMA-VHSXEESVSA-N 0 1 270.340 2.758 20 30 CFEDMN CC#CC(=O)N1CCC[C@H]1c1nc2ccc(C)cc2[nH]1 ZINC000277616012 384354684 /nfs/dbraw/zinc/35/46/84/384354684.db2.gz IEIIDCCCLWIGNW-AWEZNQCLSA-N 0 1 267.332 2.558 20 30 CFEDMN C#CCN1CCC(c2nc(-c3cccc(C)c3)no2)CC1 ZINC000277814290 384412059 /nfs/dbraw/zinc/41/20/59/384412059.db2.gz HHADDLYKXXOYBO-UHFFFAOYSA-N 0 1 281.359 2.858 20 30 CFEDMN C=C(C)[C@@H](CO)N1Cc2ccc(OC)cc2OC(C)(C)C1 ZINC000643256637 384530345 /nfs/dbraw/zinc/53/03/45/384530345.db2.gz ODXUYNQRVJAQRN-OAHLLOKOSA-N 0 1 291.391 2.605 20 30 CFEDMN C=CC(C)(C)CCNC(=O)[C@@H](N)c1ccc(C)cc1 ZINC000638454602 384673194 /nfs/dbraw/zinc/67/31/94/384673194.db2.gz JQTIEOQRRUNIMV-AWEZNQCLSA-N 0 1 260.381 2.713 20 30 CFEDMN C[C@@H](O)C[C@H]1CCCC[N@H+]1CCOc1ccccc1C#N ZINC000279706995 384728998 /nfs/dbraw/zinc/72/89/98/384728998.db2.gz HQTKZZFHTSSWLN-GDBMZVCRSA-N 0 1 288.391 2.562 20 30 CFEDMN C=CC[C@H](C)NCc1snc(OC)c1Br ZINC000638609008 384781240 /nfs/dbraw/zinc/78/12/40/384781240.db2.gz IWXFYTUIMIUZDS-ZETCQYMHSA-N 0 1 291.214 2.968 20 30 CFEDMN CCC1(O)CCN(CC#Cc2cccc(Cl)c2)CC1 ZINC000269596217 384799840 /nfs/dbraw/zinc/79/98/40/384799840.db2.gz JQZXATNOBUFBDB-UHFFFAOYSA-N 0 1 277.795 2.928 20 30 CFEDMN C=CCC(CC=C)C(=O)NC[C@@H](N)c1ccccc1OC ZINC000644092171 384855972 /nfs/dbraw/zinc/85/59/72/384855972.db2.gz IQDXRZHSRVOCKI-OAHLLOKOSA-N 0 1 288.391 2.580 20 30 CFEDMN C=CCCC(C)(C)CNC(=O)[C@H](N)c1ccccc1 ZINC000638875024 385008713 /nfs/dbraw/zinc/00/87/13/385008713.db2.gz LRPJKWGUKMQGDX-CQSZACIVSA-N 0 1 260.381 2.795 20 30 CFEDMN C[C@@H](CNC(=O)c1ccc(CC#N)cc1)[N@H+]1CCC[C@@H](C)C1 ZINC000270299543 385045481 /nfs/dbraw/zinc/04/54/81/385045481.db2.gz YURXPTDIKWBMCA-CABCVRRESA-N 0 1 299.418 2.603 20 30 CFEDMN C=C[C@@H](CC(=O)NCC[N@H+](C)C1CC1)c1ccccc1 ZINC000270300977 385045727 /nfs/dbraw/zinc/04/57/27/385045727.db2.gz RSYMHTYWLSTGIV-AWEZNQCLSA-N 0 1 272.392 2.557 20 30 CFEDMN C=C[C@H](CC(=O)NCC[N@H+](C)C1CC1)c1ccccc1 ZINC000270300979 385046062 /nfs/dbraw/zinc/04/60/62/385046062.db2.gz RSYMHTYWLSTGIV-CQSZACIVSA-N 0 1 272.392 2.557 20 30 CFEDMN Cc1cc(C#N)ccc1C(=O)N[C@@H](C)c1n[nH]c(C(C)C)n1 ZINC000270737757 385209318 /nfs/dbraw/zinc/20/93/18/385209318.db2.gz KSPVYLJWNAHZTO-NSHDSACASA-N 0 1 297.362 2.599 20 30 CFEDMN C#CCCCN(C)CC(=O)Nc1c(C)cc(C)cc1C ZINC000271079429 385330906 /nfs/dbraw/zinc/33/09/06/385330906.db2.gz XYVRXFGBKZIADK-UHFFFAOYSA-N 0 1 272.392 2.896 20 30 CFEDMN Cc1cc([C@@H]2CCCN(C(=O)c3ccc(C#N)cc3)C2)n[nH]1 ZINC000282666802 385366578 /nfs/dbraw/zinc/36/65/78/385366578.db2.gz INDUXUDMOASRTQ-OAHLLOKOSA-N 0 1 294.358 2.610 20 30 CFEDMN N#Cc1cc(CN2CCC[C@@H]2[C@@H]2CCCO2)ccc1F ZINC000283950110 385517849 /nfs/dbraw/zinc/51/78/49/385517849.db2.gz ALUODQVOXXPZCS-CVEARBPZSA-N 0 1 274.339 2.841 20 30 CFEDMN CC(C)(C)[C@H]1CCN(Cc2cc(C#N)ccc2F)C[C@@H]1O ZINC000272302521 385504433 /nfs/dbraw/zinc/50/44/33/385504433.db2.gz HISKJARFTXXPQJ-HOCLYGCPSA-N 0 1 290.382 2.926 20 30 CFEDMN C=CCN(CCc1ccco1)C(=O)c1cc(C2CC2)[nH]n1 ZINC000272411379 385530585 /nfs/dbraw/zinc/53/05/85/385530585.db2.gz FRSCFEMREDWCPO-UHFFFAOYSA-N 0 1 285.347 2.751 20 30 CFEDMN C=CCN(CCc1ccco1)Cc1cnc2cnccn12 ZINC000272615465 385576663 /nfs/dbraw/zinc/57/66/63/385576663.db2.gz LCYWWCQMOIFKBN-UHFFFAOYSA-N 0 1 282.347 2.553 20 30 CFEDMN C=CCCCCCN(C)CC(=O)Nc1ccccn1 ZINC000639494102 385559278 /nfs/dbraw/zinc/55/92/78/385559278.db2.gz FKQWWAWNHKVPHB-UHFFFAOYSA-N 0 1 261.369 2.698 20 30 CFEDMN CN(Cc1ccc(C#N)cc1F)C[C@H]1CCCC[C@H]1O ZINC000272591146 385571075 /nfs/dbraw/zinc/57/10/75/385571075.db2.gz TVFGQTCTZOMQFK-GDBMZVCRSA-N 0 1 276.355 2.680 20 30 CFEDMN CN(Cc1ccccc1C#N)C[C@H]1CCCC[C@H]1O ZINC000272594048 385572192 /nfs/dbraw/zinc/57/21/92/385572192.db2.gz UBRWQVKIYSDXGQ-HZPDHXFCSA-N 0 1 258.365 2.541 20 30 CFEDMN Cc1nc([C@@H](C)Nc2nc(C(F)(F)F)ccc2C#N)n[nH]1 ZINC000286673673 385683550 /nfs/dbraw/zinc/68/35/50/385683550.db2.gz XZDTYEKYQNYOFN-ZCFIWIBFSA-N 0 1 296.256 2.572 20 30 CFEDMN CCOC1CC(N(C)Cc2cc(C#N)ccc2F)C1 ZINC000286691644 385688052 /nfs/dbraw/zinc/68/80/52/385688052.db2.gz DBWQHYLECXJDIM-UHFFFAOYSA-N 0 1 262.328 2.697 20 30 CFEDMN C#CCN(C(=O)c1cc(-c2ccc(Cl)cc2)[nH]n1)C1CC1 ZINC000274047807 385708003 /nfs/dbraw/zinc/70/80/03/385708003.db2.gz GRJNEFVUGYEUNN-UHFFFAOYSA-N 0 1 299.761 2.968 20 30 CFEDMN CCC#C[C@@H](C)N1CCC(O)(Cc2nc(C)cs2)CC1 ZINC000639810437 385720750 /nfs/dbraw/zinc/72/07/50/385720750.db2.gz TZYAZZBEZRBYID-CQSZACIVSA-N 0 1 292.448 2.623 20 30 CFEDMN C#CCN(C(=O)c1cc(-c2ccccc2Cl)[nH]n1)C1CC1 ZINC000274110824 385721687 /nfs/dbraw/zinc/72/16/87/385721687.db2.gz QTYNBHRBRCQGHI-UHFFFAOYSA-N 0 1 299.761 2.968 20 30 CFEDMN CC#CCCCC(=O)Nc1c(C)n[nH]c1C(F)F ZINC000274546211 385821214 /nfs/dbraw/zinc/82/12/14/385821214.db2.gz TZVSPAQESKBOGF-UHFFFAOYSA-N 0 1 255.268 2.788 20 30 CFEDMN C=C(C)CCN(CC)CC(=O)Nc1ccccc1OC ZINC000274745586 385862187 /nfs/dbraw/zinc/86/21/87/385862187.db2.gz GHONHVJKBKWYIM-UHFFFAOYSA-N 0 1 276.380 2.922 20 30 CFEDMN C#CCN(C[C@H](O)c1ccc(F)cc1Cl)C1CC1 ZINC000274802547 385874651 /nfs/dbraw/zinc/87/46/51/385874651.db2.gz FTBKVZCIGGVVIE-AWEZNQCLSA-N 0 1 267.731 2.610 20 30 CFEDMN C=C(C)CCN1CCN(C(=O)c2ccc(F)cc2)CC1 ZINC000274812202 385876136 /nfs/dbraw/zinc/87/61/36/385876136.db2.gz YFAWDYGQFGECMG-UHFFFAOYSA-N 0 1 276.355 2.550 20 30 CFEDMN CS[C@@H]1C[N@@H+]([C@H](C)c2cccc(C#N)c2)C[C@@H]1N(C)C ZINC000276033043 385981201 /nfs/dbraw/zinc/98/12/01/385981201.db2.gz MHDYXWAYGSAOTF-UHOFOFEASA-N 0 1 289.448 2.597 20 30 CFEDMN C=CC[C@@H](C(=O)N[C@@H](C)c1n[nH]c(CC)n1)c1ccccc1 ZINC000275318155 385974393 /nfs/dbraw/zinc/97/43/93/385974393.db2.gz KNFJTPRMMWDHBU-GXTWGEPZSA-N 0 1 298.390 2.904 20 30 CFEDMN C[C@H](NCc1cc(C#N)n(C)c1)c1ccccc1[N+](=O)[O-] ZINC000276651384 386002849 /nfs/dbraw/zinc/00/28/49/386002849.db2.gz TWYHTXCJOSUVMR-NSHDSACASA-N 0 1 284.319 2.656 20 30 CFEDMN C=CCCCCCCNC(=O)N[C@H](C)c1n[nH]c(CC)n1 ZINC000288119359 197007668 /nfs/dbraw/zinc/00/76/68/197007668.db2.gz WEVLAANYAAKFAM-GFCCVEGCSA-N 0 1 293.415 2.864 20 30 CFEDMN C=CCOCCN[C@H](c1ccccc1)c1ccccn1 ZINC000312406895 260005620 /nfs/dbraw/zinc/00/56/20/260005620.db2.gz MZWNUCOYKDZDHH-QGZVFWFLSA-N 0 1 268.360 2.963 20 30 CFEDMN CC(C)(C#N)CCCCN1CCN(CC(F)F)CC1 ZINC000336806441 262395706 /nfs/dbraw/zinc/39/57/06/262395706.db2.gz ZNOFGQZXSCNESX-UHFFFAOYSA-N 0 1 273.371 2.589 20 30 CFEDMN C[C@@H](NCc1ccc(F)c(C#N)c1)c1ccccn1 ZINC000181801115 533445379 /nfs/dbraw/zinc/44/53/79/533445379.db2.gz XDLXHEYTTJJKNH-LLVKDONJSA-N 0 1 255.296 2.943 20 30 CFEDMN Cn1cc(CN[C@H]2CCOc3c(F)cccc32)cc1C#N ZINC000191622565 130264889 /nfs/dbraw/zinc/26/48/89/130264889.db2.gz GOVTWAJUKSQSDG-HNNXBMFYSA-N 0 1 285.322 2.649 20 30 CFEDMN CC[C@@H]1CN(Cc2ccc(C#N)cc2C(F)(F)F)C[C@H]1O ZINC000356132746 130378954 /nfs/dbraw/zinc/37/89/54/130378954.db2.gz WIWBYGVLQQLMCK-BXUZGUMPSA-N 0 1 298.308 2.780 20 30 CFEDMN CCCC(=O)N[C@H]1CCCN([C@H](C)c2ccc(C#N)cc2)C1 ZINC000246396220 131094135 /nfs/dbraw/zinc/09/41/35/131094135.db2.gz OTBPYKAHZKCQPV-PBHICJAKSA-N 0 1 299.418 3.000 20 30 CFEDMN C[C@@H](c1ccccc1)N1CCN(c2ncccc2C#N)CC1 ZINC000252020193 131133055 /nfs/dbraw/zinc/13/30/55/131133055.db2.gz XXWYPVJIVCDQGX-HNNXBMFYSA-N 0 1 292.386 2.836 20 30 CFEDMN C=CC[C@H]1N(C(=O)[C@H](C)N(C)C)CCCC1(C)C ZINC000683517883 542690327 /nfs/dbraw/zinc/69/03/27/542690327.db2.gz ZEUKNNOVYPEPGJ-QWHCGFSZSA-N 0 1 252.402 2.530 20 30 CFEDMN C=C(C)CN(C)CC(=O)NCCC1CCCCC1 ZINC000181267709 413054806 /nfs/dbraw/zinc/05/48/06/413054806.db2.gz FAOQTDOQCUJCEW-UHFFFAOYSA-N 0 1 252.402 2.581 20 30 CFEDMN C=CCN(CC=C)C(=O)c1c(C)n[nH]c1C(F)(F)F ZINC000684162021 542771087 /nfs/dbraw/zinc/77/10/87/542771087.db2.gz QTWUMAYUTMNSFO-UHFFFAOYSA-N 0 1 273.258 2.551 20 30 CFEDMN C[C@@H](CC(=O)OC(C)(C)C)NCc1ccc(C#N)cc1F ZINC000178790028 393449033 /nfs/dbraw/zinc/44/90/33/393449033.db2.gz HZMPXSJADPKGNE-NSHDSACASA-N 0 1 292.354 2.907 20 30 CFEDMN C#CCN(Cc1cnc[nH]1)[C@H]1CCc2ccccc21 ZINC000179204079 393456704 /nfs/dbraw/zinc/45/67/04/393456704.db2.gz JHBRJYOVUSNJHT-INIZCTEOSA-N 0 1 251.333 2.532 20 30 CFEDMN CCN(CC)C(=O)[C@@H]1CCCN1Cc1ccc(C#N)cc1C ZINC000186182861 393540116 /nfs/dbraw/zinc/54/01/16/393540116.db2.gz RHTMRKZAMXOTOA-KRWDZBQOSA-N 0 1 299.418 2.700 20 30 CFEDMN CCCCCCN1C[C@@H](C#N)[C@@]2(C1)c1ccccc1NC2=O ZINC000374369217 393495262 /nfs/dbraw/zinc/49/52/62/393495262.db2.gz YCFOEDRCJDLGBI-KDOFPFPSSA-N 0 1 297.402 2.912 20 30 CFEDMN CCCCCCN1C[C@H](C#N)[C@@]2(C1)c1ccccc1NC2=O ZINC000374369219 393495898 /nfs/dbraw/zinc/49/58/98/393495898.db2.gz YCFOEDRCJDLGBI-KSSFIOAISA-N 0 1 297.402 2.912 20 30 CFEDMN CCSCC[C@@H](C)NCc1nc(C#N)cs1 ZINC000309984640 393518427 /nfs/dbraw/zinc/51/84/27/393518427.db2.gz XUBKIEFNNYEYGP-SECBINFHSA-N 0 1 255.412 2.636 20 30 CFEDMN C=CCC[C@H](NC(=O)N[C@H](C)c1nnc[nH]1)c1ccccc1 ZINC000183347719 393520086 /nfs/dbraw/zinc/52/00/86/393520086.db2.gz VMXFUWWSDSNWMO-OCCSQVGLSA-N 0 1 299.378 2.872 20 30 CFEDMN C[C@@H]1CC[C@H](NC(=O)N[C@@H]2CCc3nc[nH]c3C2)[C@H](C)C1 ZINC000329649613 393546864 /nfs/dbraw/zinc/54/68/64/393546864.db2.gz FKBFQXCHJAHCCC-LPWJVIDDSA-N 0 1 290.411 2.595 20 30 CFEDMN CC(C)CCNC(=O)[C@@H](C)N[C@H](C)c1ccc(C#N)cc1 ZINC000037502331 393532151 /nfs/dbraw/zinc/53/21/51/393532151.db2.gz QEQDEAFGPJMWJR-ZIAGYGMSSA-N 0 1 287.407 2.760 20 30 CFEDMN O=C(NC[C@@H]1CCC[C@H](O)C1)c1cc2[nH]cnc2cc1F ZINC000329415769 393533889 /nfs/dbraw/zinc/53/38/89/393533889.db2.gz YYYUUSWERAGJAS-ZJUUUORDSA-N 0 1 291.326 2.558 20 30 CFEDMN Cc1cc(CC(=O)Nc2cnc3c(c2)CCCC3)n[nH]1 ZINC000329441337 393534806 /nfs/dbraw/zinc/53/48/06/393534806.db2.gz KBFAJECMNBNKIV-UHFFFAOYSA-N 0 1 270.336 2.823 20 30 CFEDMN CN(C([O-])=[NH+][C@@H]1CCn2ccnc2C1)C1CCCCCC1 ZINC000330241698 393551648 /nfs/dbraw/zinc/55/16/48/393551648.db2.gz BUPAURKJLIUHOP-CYBMUJFWSA-N 0 1 290.411 2.767 20 30 CFEDMN C[C@@H]1CN(C(=O)N[C@@H]2CCc3nc[nH]c3C2)c2ccccc21 ZINC000329751010 393548021 /nfs/dbraw/zinc/54/80/21/393548021.db2.gz VJIPNWGDVLWBIG-VXGBXAGGSA-N 0 1 296.374 2.805 20 30 CFEDMN CCN(C(=O)CCc1cnc[nH]1)[C@@H](C)c1ccc(C#N)cc1 ZINC000188734807 393567854 /nfs/dbraw/zinc/56/78/54/393567854.db2.gz JQMQKMBVTJXJST-ZDUSSCGKSA-N 0 1 296.374 2.824 20 30 CFEDMN Cc1ccc([N+](=O)[O-])cc1NC(=O)c1ccc(C#N)c(O)c1 ZINC000188208610 393562485 /nfs/dbraw/zinc/56/24/85/393562485.db2.gz IEYXJQRKSFPSRH-UHFFFAOYSA-N 0 1 297.270 2.733 20 30 CFEDMN N#Cc1ccc(CN2CCSC[C@@H]2C2CCC2)o1 ZINC000334948026 393629254 /nfs/dbraw/zinc/62/92/54/393629254.db2.gz AIHVWKLHXXIQOP-CQSZACIVSA-N 0 1 262.378 2.869 20 30 CFEDMN Cc1nc(N2CCN(Cc3ccccc3)CC2)ccc1C#N ZINC000336698106 393745443 /nfs/dbraw/zinc/74/54/43/393745443.db2.gz COGBHVTXCPKYPM-UHFFFAOYSA-N 0 1 292.386 2.584 20 30 CFEDMN C[C@@H]1[C@@H](C)N(c2ccc(C(F)(F)F)c(C#N)n2)CCN1C ZINC000337023067 393753020 /nfs/dbraw/zinc/75/30/20/393753020.db2.gz SXJPUARYAVAXHP-NXEZZACHSA-N 0 1 298.312 2.501 20 30 CFEDMN N#Cc1cccc(CNC(=O)c2cc(F)cc3nc[nH]c32)c1 ZINC000080334357 393726317 /nfs/dbraw/zinc/72/63/17/393726317.db2.gz UCGNWTCMVRDSAS-UHFFFAOYSA-N 0 1 294.289 2.504 20 30 CFEDMN CN(Cc1cccc(O)c1)Cc1cccc(C#N)c1 ZINC000080924394 393729504 /nfs/dbraw/zinc/72/95/04/393729504.db2.gz AZQPCRRSWVBMJF-UHFFFAOYSA-N 0 1 252.317 2.896 20 30 CFEDMN Cc1nnc(NC(=O)c2sc3ccc(C#N)cc3c2C)[nH]1 ZINC000339924373 393833860 /nfs/dbraw/zinc/83/38/60/393833860.db2.gz VOMLCGLOKQQJNT-UHFFFAOYSA-N 0 1 297.343 2.760 20 30 CFEDMN Cc1n[nH]c(NC(=O)c2sc3ccc(C#N)cc3c2C)n1 ZINC000339924373 393833864 /nfs/dbraw/zinc/83/38/64/393833864.db2.gz VOMLCGLOKQQJNT-UHFFFAOYSA-N 0 1 297.343 2.760 20 30 CFEDMN C=CCn1c(S[C@@H](C)c2n[nH]c(C)n2)nnc1C1CC1 ZINC000412980713 393777610 /nfs/dbraw/zinc/77/76/10/393777610.db2.gz SOTUZONKKYJPBC-QMMMGPOBSA-N 0 1 290.396 2.621 20 30 CFEDMN C[C@@H](C#N)C[N@@H+](CC1(O)CCC(C)CC1)C1CC1 ZINC000338390986 393786311 /nfs/dbraw/zinc/78/63/11/393786311.db2.gz YYNLMXHKCYQVJB-OWYJLGKBSA-N 0 1 250.386 2.552 20 30 CFEDMN C[C@@H](C#N)CN(CC1(O)CCC(C)CC1)C1CC1 ZINC000338390986 393786313 /nfs/dbraw/zinc/78/63/13/393786313.db2.gz YYNLMXHKCYQVJB-OWYJLGKBSA-N 0 1 250.386 2.552 20 30 CFEDMN C=CCCN1CCN(C(=O)C(C)(C)C)CC1(C)C ZINC000338565440 393790910 /nfs/dbraw/zinc/79/09/10/393790910.db2.gz AYRMIZSLBWZMPA-UHFFFAOYSA-N 0 1 252.402 2.531 20 30 CFEDMN C=CCOCCN(Cc1cc(OC)ccc1OC)C1CC1 ZINC000338888601 393804485 /nfs/dbraw/zinc/80/44/85/393804485.db2.gz SXLVIKQHLDMWJN-UHFFFAOYSA-N 0 1 291.391 2.871 20 30 CFEDMN CCOC(=O)[C@@H]1CN([C@@H]2CC[C@@H](C#N)C2)Cc2ccccc21 ZINC000339042881 393812445 /nfs/dbraw/zinc/81/24/45/393812445.db2.gz CIRJQHXUZNSJMJ-FRFSOERESA-N 0 1 298.386 2.841 20 30 CFEDMN CCC[C@H](C)CN1C[C@@H](C#N)[C@]2(C1)c1ccccc1NC2=O ZINC000342923651 393873611 /nfs/dbraw/zinc/87/36/11/393873611.db2.gz ZBNALZNPLUKEHX-PMUMKWKESA-N 0 1 297.402 2.768 20 30 CFEDMN CC(C)N1CCCN(c2nccc(C#N)c2Cl)CC1 ZINC000342064348 393860447 /nfs/dbraw/zinc/86/04/47/393860447.db2.gz PKUVYMSZSBTHBG-UHFFFAOYSA-N 0 1 278.787 2.527 20 30 CFEDMN C=CCNC(=O)CN(C)[C@H](C)c1cc(C)ccc1C ZINC000346321516 393926421 /nfs/dbraw/zinc/92/64/21/393926421.db2.gz NRQQYOLVLJRPNO-CQSZACIVSA-N 0 1 260.381 2.598 20 30 CFEDMN C[C@@]1(c2ccccc2)CN(CCCSCC#N)CCO1 ZINC000121192543 393950821 /nfs/dbraw/zinc/95/08/21/393950821.db2.gz DBRJZYVMNAUKIC-INIZCTEOSA-N 0 1 290.432 2.881 20 30 CFEDMN CC(C)[C@](C)(C#N)NC(=O)[C@H](C)N1CCCC2(CCC2)C1 ZINC000348173649 393948664 /nfs/dbraw/zinc/94/86/64/393948664.db2.gz ALZZYCSIESNGPT-HOCLYGCPSA-N 0 1 291.439 2.695 20 30 CFEDMN CC(=O)c1ccc(C#N)c(N2CCN(C)[C@H](C(C)C)C2)c1 ZINC000487080593 393982706 /nfs/dbraw/zinc/98/27/06/393982706.db2.gz UAERAQRORVEKLK-KRWDZBQOSA-N 0 1 285.391 2.537 20 30 CFEDMN C[C@H]1C[C@H](C)N(CC(=O)N(CCC#N)c2ccccc2)C1 ZINC000354204552 394043140 /nfs/dbraw/zinc/04/31/40/394043140.db2.gz FOUCSPVUYLMDOZ-GJZGRUSLSA-N 0 1 285.391 2.664 20 30 CFEDMN C#C[C@H](CC)NCc1c(Cl)cccc1N1CCOCC1 ZINC000491668335 394056075 /nfs/dbraw/zinc/05/60/75/394056075.db2.gz OHPOIHNHBHLKIZ-CYBMUJFWSA-N 0 1 292.810 2.678 20 30 CFEDMN C#CC[N@H+](CC[C@H]1CCN(C(=O)OC(C)(C)C)C1)C1CC1 ZINC000491699898 394056442 /nfs/dbraw/zinc/05/64/42/394056442.db2.gz CWQUUEWWCKGKQI-AWEZNQCLSA-N 0 1 292.423 2.731 20 30 CFEDMN CC(C)N1CCC[C@H](NC2(c3cccc(C#N)c3)CC2)C1=O ZINC000279116642 394065004 /nfs/dbraw/zinc/06/50/04/394065004.db2.gz SPGFYSOZQZHREK-INIZCTEOSA-N 0 1 297.402 2.536 20 30 CFEDMN N#Cc1ccc([C@@H](C(N)=O)N2CCC3(C2)CCCCC3)cc1 ZINC000130032384 394099777 /nfs/dbraw/zinc/09/97/77/394099777.db2.gz FOEUJLPBGNJNBD-INIZCTEOSA-N 0 1 297.402 2.741 20 30 CFEDMN C=CCn1c2ccccc2nc1SCc1n[nH]c(C)n1 ZINC000488274423 394037199 /nfs/dbraw/zinc/03/71/99/394037199.db2.gz SMDVPLQIHKYWMZ-UHFFFAOYSA-N 0 1 285.376 2.941 20 30 CFEDMN C=CCN1CC[C@H]([N@@H+]2CCC[C@@H]2c2cccc(C)c2)C1=O ZINC000281990117 394106290 /nfs/dbraw/zinc/10/62/90/394106290.db2.gz MTXUHUOXBWGHNV-SJORKVTESA-N 0 1 284.403 2.919 20 30 CFEDMN CN(Cc1ccc(C#N)cc1Cl)C[C@@H]1CCC[C@@H]1O ZINC000439450637 394115344 /nfs/dbraw/zinc/11/53/44/394115344.db2.gz KIMVQVLRBMXZQY-ZFWWWQNUSA-N 0 1 278.783 2.804 20 30 CFEDMN C=CCOCCCSCc1n[nH]c(C2CC2)n1 ZINC000359136237 394125142 /nfs/dbraw/zinc/12/51/42/394125142.db2.gz DTSBACWBZLRPCZ-UHFFFAOYSA-N 0 1 253.371 2.508 20 30 CFEDMN C=CCN(CCC#N)C(=O)c1cc(-c2ccc(F)cc2)[nH]n1 ZINC000359387991 394131204 /nfs/dbraw/zinc/13/12/04/394131204.db2.gz ZPQRCHDRKXKFAT-UHFFFAOYSA-N 0 1 298.321 2.758 20 30 CFEDMN C=CCS(=O)(=O)CCN[C@H](CCC(C)C)c1ccoc1 ZINC000285922211 394166522 /nfs/dbraw/zinc/16/65/22/394166522.db2.gz CKQLYAGGCYZWEC-OAHLLOKOSA-N 0 1 299.436 2.947 20 30 CFEDMN CN(Cc1ccc(C#N)o1)C1CC(OC(C)(C)C)C1 ZINC000421380743 394212085 /nfs/dbraw/zinc/21/20/85/394212085.db2.gz ZKDAFWGNOANNCP-UHFFFAOYSA-N 0 1 262.353 2.929 20 30 CFEDMN Cc1ccc(C#N)cc1NC(=O)[C@@H]1CCCc2cn[nH]c21 ZINC000367059090 394250259 /nfs/dbraw/zinc/25/02/59/394250259.db2.gz BLACYMOEIZYNDO-CYBMUJFWSA-N 0 1 280.331 2.648 20 30 CFEDMN Clc1ccc(C#CCN2CCC3(CCO3)CC2)cc1 ZINC000367073252 394251262 /nfs/dbraw/zinc/25/12/62/394251262.db2.gz RRRDNBWDRCHVAV-UHFFFAOYSA-N 0 1 275.779 2.946 20 30 CFEDMN COc1cc(C#N)ccc1CN1CCCO[C@@H]2CCC[C@H]21 ZINC000367255969 394252715 /nfs/dbraw/zinc/25/27/15/394252715.db2.gz QXKDRJVECDZCRZ-HZPDHXFCSA-N 0 1 286.375 2.710 20 30 CFEDMN CC(C)c1nc([C@H](C)NCc2ccc(C#N)c(F)c2)n[nH]1 ZINC000421343691 394192636 /nfs/dbraw/zinc/19/26/36/394192636.db2.gz QKDXQVLUBSGZAL-JTQLQIEISA-N 0 1 287.342 2.790 20 30 CFEDMN CC(C)c1nc([C@@H](C)NCc2ccc(C#N)c(F)c2)n[nH]1 ZINC000421343696 394192666 /nfs/dbraw/zinc/19/26/66/394192666.db2.gz QKDXQVLUBSGZAL-SNVBAGLBSA-N 0 1 287.342 2.790 20 30 CFEDMN CC#CCCN(C)[C@@H]1CCCN(c2ccccc2)C1=O ZINC000155724700 394322480 /nfs/dbraw/zinc/32/24/80/394322480.db2.gz AFQCZGFHMDYIEI-MRXNPFEDSA-N 0 1 270.376 2.527 20 30 CFEDMN COC(=O)CCN(Cc1cc(F)ccc1C#N)CC(C)C ZINC000158761660 394360897 /nfs/dbraw/zinc/36/08/97/394360897.db2.gz HTLWNPDRJKZXSB-UHFFFAOYSA-N 0 1 292.354 2.718 20 30 CFEDMN C[C@@H]1C[C@@H]1c1ccc(CNCc2cc(C#N)n(C)c2)o1 ZINC000517005013 394370466 /nfs/dbraw/zinc/37/04/66/394370466.db2.gz PIVCQHWFWXLFCX-ABAIWWIYSA-N 0 1 269.348 2.903 20 30 CFEDMN N#CCC[C@@H](C#N)CN1CC[C@@H](COCc2ccccc2)C1 ZINC000173982470 394377108 /nfs/dbraw/zinc/37/71/08/394377108.db2.gz GNMPIPCWHROHJW-ZWKOTPCHSA-N 0 1 297.402 2.969 20 30 CFEDMN CNC(=O)[C@H]1CCCCN1Cc1ccccc1C(C)(C)C#N ZINC000178514852 394388688 /nfs/dbraw/zinc/38/86/88/394388688.db2.gz KFZSAJQWXULOBP-MRXNPFEDSA-N 0 1 299.418 2.588 20 30 CFEDMN C=C(C)CN(C)C(=O)c1c[nH]c2c(C)cccc2c1=O ZINC000165834691 542908720 /nfs/dbraw/zinc/90/87/20/542908720.db2.gz SLNBECSICPKIFS-UHFFFAOYSA-N 0 1 270.332 2.897 20 30 CFEDMN COC(=O)c1cccc(CN2C[C@@H]3CCC[C@@H]3C2)c1C#N ZINC000535965069 394550345 /nfs/dbraw/zinc/55/03/45/394550345.db2.gz ZEXHMQAQTKZAKG-BETUJISGSA-N 0 1 284.359 2.577 20 30 CFEDMN CC(C)(C#N)CCN1CCC[C@H](OCC(F)(F)F)C1 ZINC000540686278 394651310 /nfs/dbraw/zinc/65/13/10/394651310.db2.gz BQLZGJRGPCIELG-NSHDSACASA-N 0 1 278.318 2.970 20 30 CFEDMN C[C@@]1(CO)CCCN1Cc1ccc(C#N)cc1OC(F)F ZINC000546105095 394819154 /nfs/dbraw/zinc/81/91/54/394819154.db2.gz QLDWJUUDWKXZFR-HNNXBMFYSA-N 0 1 296.317 2.506 20 30 CFEDMN C[C@H](NCc1ccc(C#N)cn1)c1ccc2c(c1)OCO2 ZINC000558247922 395055964 /nfs/dbraw/zinc/05/59/64/395055964.db2.gz ULNXJZDORONGAX-NSHDSACASA-N 0 1 281.315 2.533 20 30 CFEDMN N#Cc1csc(CNC[C@H]2CCC3(CCCCC3)O2)n1 ZINC000558487713 395061838 /nfs/dbraw/zinc/06/18/38/395061838.db2.gz GLSLTYQFJSCECC-CYBMUJFWSA-N 0 1 291.420 2.986 20 30 CFEDMN C=CCCC(=O)Nc1nc(-c2ccc3ccccc3n2)n[nH]1 ZINC000647773502 395426997 /nfs/dbraw/zinc/42/69/97/395426997.db2.gz MZSPYIJXPSMELU-UHFFFAOYSA-N 0 1 293.330 2.925 20 30 CFEDMN C=C(C)CN(CC)C(=O)CN1CCC2(CC2(F)F)CC1 ZINC000649777004 395570052 /nfs/dbraw/zinc/57/00/52/395570052.db2.gz ALIGCZAAOHQWAZ-UHFFFAOYSA-N 0 1 286.366 2.532 20 30 CFEDMN C#C[C@H](C)N(C)Cc1cn(CCC#N)nc1-c1ccccc1 ZINC000491643753 397581434 /nfs/dbraw/zinc/58/14/34/397581434.db2.gz HBPCEQQOUAPEPK-HNNXBMFYSA-N 0 1 292.386 2.917 20 30 CFEDMN C=CCCCC[N@H+]1C[C@H](C(=O)[O-])C[C@H](C(F)(F)F)C1 ZINC000656757642 413184706 /nfs/dbraw/zinc/18/47/06/413184706.db2.gz RVIMGPHFSRRWPM-MNOVXSKESA-N 0 1 279.302 2.928 20 30 CFEDMN COc1ccsc1CNCc1cccc(C#N)c1 ZINC000343267968 154160455 /nfs/dbraw/zinc/16/04/55/154160455.db2.gz BVCFRJKUNAFOBM-UHFFFAOYSA-N 0 1 258.346 2.918 20 30 CFEDMN C[C@@H](NCC1=CCCOC1)c1ccc(C#N)cc1F ZINC000348209178 154363108 /nfs/dbraw/zinc/36/31/08/154363108.db2.gz WRXQXLOSVSLROL-LLVKDONJSA-N 0 1 260.312 2.695 20 30 CFEDMN N#Cc1cccc(CNc2cc3c(cn2)CCCC3)c1 ZINC000359472479 156023948 /nfs/dbraw/zinc/02/39/48/156023948.db2.gz OUOMWDXLMIWWBP-UHFFFAOYSA-N 0 1 263.344 2.866 20 30 CFEDMN C=CC[C@H]1CCCC[C@@H]1NC(=O)NCc1cn[nH]c1C ZINC000663690123 413320288 /nfs/dbraw/zinc/32/02/88/413320288.db2.gz QDHLULPBAVVNMK-JSGCOSHPSA-N 0 1 276.384 2.652 20 30 CFEDMN Cc1noc(C2CCN(Cc3ccc(C#N)c(C)c3)CC2)n1 ZINC000362924811 156116725 /nfs/dbraw/zinc/11/67/25/156116725.db2.gz AEHHYNRTROEGCD-UHFFFAOYSA-N 0 1 296.374 2.938 20 30 CFEDMN N#Cc1ccc(NC(=O)C[N@H+]2CCC[C@@H](C3CC3)C2)cc1 ZINC000367307774 156311278 /nfs/dbraw/zinc/31/12/78/156311278.db2.gz LCPMBQCYANLPDA-OAHLLOKOSA-N 0 1 283.375 2.619 20 30 CFEDMN N#Cc1ccc(NC(=O)CN2CCC[C@@H](C3CC3)C2)cc1 ZINC000367307774 156311280 /nfs/dbraw/zinc/31/12/80/156311280.db2.gz LCPMBQCYANLPDA-OAHLLOKOSA-N 0 1 283.375 2.619 20 30 CFEDMN C[C@@H](N[C@H]1CCCN(c2ccccc2C#N)C1)c1ncc[nH]1 ZINC000367533420 156344937 /nfs/dbraw/zinc/34/49/37/156344937.db2.gz KRTIYDNEMCBEFK-HIFRSBDPSA-N 0 1 295.390 2.601 20 30 CFEDMN N#Cc1ccc(CN2CCCO[C@@H]3CCC[C@H]32)s1 ZINC000374121128 157070559 /nfs/dbraw/zinc/07/05/59/157070559.db2.gz QDGBDMVITWAAKO-ZIAGYGMSSA-N 0 1 262.378 2.763 20 30 CFEDMN N#Cc1ccc(F)c(CN2CC[C@@]3(C2)CCCOC3)c1 ZINC000375279924 157216490 /nfs/dbraw/zinc/21/64/90/157216490.db2.gz HOVUGCAKDDQNGQ-MRXNPFEDSA-N 0 1 274.339 2.700 20 30 CFEDMN C=CCCn1cc(CN(CC)CCc2cccs2)nn1 ZINC000653523121 413347970 /nfs/dbraw/zinc/34/79/70/413347970.db2.gz BZHVSWHCIWWTPV-UHFFFAOYSA-N 0 1 290.436 2.980 20 30 CFEDMN C=CCN1C(=O)N=NC1SC[C@@H](CC)CC(F)F ZINC000657251486 413367354 /nfs/dbraw/zinc/36/73/54/413367354.db2.gz DBMRYWVRKFMNHF-QMMMGPOBSA-N 0 1 277.340 2.943 20 30 CFEDMN C=C(C)CN(Cc1ccc(CO)o1)C[C@@H](OC)C1CCC1 ZINC000660536225 413373521 /nfs/dbraw/zinc/37/35/21/413373521.db2.gz FPBRJMAGBMKFPR-QGZVFWFLSA-N 0 1 293.407 2.965 20 30 CFEDMN C=CCCn1cc(CN2C[C@@H](C)CC(C)(C)C2)nn1 ZINC000653612867 413406148 /nfs/dbraw/zinc/40/61/48/413406148.db2.gz JZEZDPKPXFJQOI-ZDUSSCGKSA-N 0 1 262.401 2.722 20 30 CFEDMN Cc1ccsc1[C@@H](CO)NCc1ccc(C#N)cc1 ZINC000344704029 162103114 /nfs/dbraw/zinc/10/31/14/162103114.db2.gz NLNSQWJXDRXZLG-CQSZACIVSA-N 0 1 272.373 2.751 20 30 CFEDMN C[C@@H](NCc1cccc(C(N)=O)c1)c1ccc(C#N)c(F)c1 ZINC000346187129 162345627 /nfs/dbraw/zinc/34/56/27/162345627.db2.gz LGGOYNAWNCLWKR-LLVKDONJSA-N 0 1 297.333 2.647 20 30 CFEDMN N#Cc1cc(F)ccc1CN[C@@H]1CCC[C@@H]1OC(F)F ZINC000348456413 162854594 /nfs/dbraw/zinc/85/45/94/162854594.db2.gz OAMOAOUGQFTINC-OLZOCXBDSA-N 0 1 284.281 2.947 20 30 CFEDMN C[C@H](CNCc1nc(C#N)cs1)N1CCc2ccccc21 ZINC000352831021 163245008 /nfs/dbraw/zinc/24/50/08/163245008.db2.gz BQPQYJSUDDBWKK-GFCCVEGCSA-N 0 1 298.415 2.556 20 30 CFEDMN N#Cc1csc(CNCCc2cccc(F)c2F)n1 ZINC000352833216 163245544 /nfs/dbraw/zinc/24/55/44/163245544.db2.gz HGWZKAZTFBGGOB-UHFFFAOYSA-N 0 1 279.315 2.625 20 30 CFEDMN CCc1nc(CCNCc2nc(C#N)cs2)sc1C ZINC000352842126 163249965 /nfs/dbraw/zinc/24/99/65/163249965.db2.gz ATROGJFECZQPOU-UHFFFAOYSA-N 0 1 292.433 2.674 20 30 CFEDMN N#Cc1csc(CNCCc2ccc3[nH]ccc3c2)n1 ZINC000352955176 163276005 /nfs/dbraw/zinc/27/60/05/163276005.db2.gz YPKCSNMGGXBASN-UHFFFAOYSA-N 0 1 282.372 2.828 20 30 CFEDMN CC[C@H](NCc1cc(C)nn1C)c1ccc(C#N)cc1 ZINC000284331521 196031770 /nfs/dbraw/zinc/03/17/70/196031770.db2.gz MGYFZQFKTSGDRE-INIZCTEOSA-N 0 1 268.364 2.841 20 30 CFEDMN C[C@H](NCC(=O)Nc1cccc(C#N)c1)c1ccccc1 ZINC000007783422 170302460 /nfs/dbraw/zinc/30/24/60/170302460.db2.gz VEZCCRDRTICMEF-ZDUSSCGKSA-N 0 1 279.343 2.848 20 30 CFEDMN C[C@@H]1CCCCCN1C(=O)N[C@H]1CCCc2cn[nH]c21 ZINC000330139352 287247493 /nfs/dbraw/zinc/24/74/93/287247493.db2.gz OUARBOXSZSFSOR-YPMHNXCESA-N 0 1 276.384 2.966 20 30 CFEDMN N#Cc1c(CN2CCC[C@H]2[C@@H]2CCCO2)cn2ccccc12 ZINC000284781278 196130601 /nfs/dbraw/zinc/13/06/01/196130601.db2.gz NJOSTUTWTQPLAN-ROUUACIJSA-N 0 1 295.386 2.954 20 30 CFEDMN CC#CCN[C@H](c1cncc(Br)c1)C1CC1 ZINC000284968628 196166982 /nfs/dbraw/zinc/16/69/82/196166982.db2.gz XNYJRTBAGDREGQ-ZDUSSCGKSA-N 0 1 279.181 2.908 20 30 CFEDMN C=CCCn1cc(CN[C@H]2CCCC(F)(F)C2)nn1 ZINC000657402058 413562465 /nfs/dbraw/zinc/56/24/65/413562465.db2.gz KSERPEYGZWZHJX-NSHDSACASA-N 0 1 270.327 2.522 20 30 CFEDMN C=CCC1(NCc2nnn(C(C)(C)C)n2)CCCCC1 ZINC000657482810 413669268 /nfs/dbraw/zinc/66/92/68/413669268.db2.gz BOKBVIKSKCIHOH-UHFFFAOYSA-N 0 1 277.416 2.797 20 30 CFEDMN C=CCCn1cc(CNC[C@H](OC)C2CCCCC2)nn1 ZINC000657781267 413925622 /nfs/dbraw/zinc/92/56/22/413925622.db2.gz CBWGMDDZJUSNEP-INIZCTEOSA-N 0 1 292.427 2.539 20 30 CFEDMN C=CC[C@@H]1CCCN([C@H](C)c2nc(COC)no2)C1 ZINC000661383524 413941148 /nfs/dbraw/zinc/94/11/48/413941148.db2.gz DLGAVIYKINOJKC-VXGBXAGGSA-N 0 1 265.357 2.565 20 30 CFEDMN C=CCCn1cc(CN2CCC[C@@H](CC=C)C2)nn1 ZINC000661387450 413942499 /nfs/dbraw/zinc/94/24/99/413942499.db2.gz YSGYVNFPGPPWIQ-CQSZACIVSA-N 0 1 260.385 2.642 20 30 CFEDMN C=CCC[C@@H](O)CN1CC(C)(C)[C@@H]1c1cccnc1 ZINC000664825532 413961661 /nfs/dbraw/zinc/96/16/61/413961661.db2.gz KQWBMISEMOKIEO-CABCVRRESA-N 0 1 260.381 2.792 20 30 CFEDMN C=C(C)COc1cccc(NC(=O)C[N@@H+]2CC[C@H](C)C2)c1 ZINC000654700137 413966153 /nfs/dbraw/zinc/96/61/53/413966153.db2.gz HIHAZXPPPSOSHC-AWEZNQCLSA-N 0 1 288.391 2.922 20 30 CFEDMN C=C(C)COc1cccc(NC(=O)CN2CC[C@H](C)C2)c1 ZINC000654700137 413966159 /nfs/dbraw/zinc/96/61/59/413966159.db2.gz HIHAZXPPPSOSHC-AWEZNQCLSA-N 0 1 288.391 2.922 20 30 CFEDMN CN(Cc1cc(C#N)ccc1F)[C@H]1CCSC1 ZINC000037174878 173009451 /nfs/dbraw/zinc/00/94/51/173009451.db2.gz SXCOMEBOPBDBJQ-LBPRGKRZSA-N 0 1 250.342 2.635 20 30 CFEDMN C=CCC[C@H](CCC)[NH2+]Cc1nnc([C@H]2CCCO2)[n-]1 ZINC000655796806 414441374 /nfs/dbraw/zinc/44/13/74/414441374.db2.gz JEMWRAXVTWIBEO-QWHCGFSZSA-N 0 1 278.400 2.881 20 30 CFEDMN C=C1C[C@H]2CC[C@@H](C1)N2Cc1nc(N)c2ccccc2n1 ZINC000662085386 414401490 /nfs/dbraw/zinc/40/14/90/414401490.db2.gz GFRBKTBCDXABRW-BETUJISGSA-N 0 1 280.375 2.895 20 30 CFEDMN C=CCN(C)Cc1cn(-c2ccccc2F)nc1C ZINC000656254894 414550158 /nfs/dbraw/zinc/55/01/58/414550158.db2.gz CNKXEYMTXCKJEA-UHFFFAOYSA-N 0 1 259.328 2.938 20 30 CFEDMN C=CC[N@H+]1C[C@@H](c2ccc(Cl)cc2)[C@H](C(=O)[O-])C1 ZINC000659798141 414559571 /nfs/dbraw/zinc/55/95/71/414559571.db2.gz VZXLNASNNHTGJW-QWHCGFSZSA-N 0 1 265.740 2.626 20 30 CFEDMN C=C1C[C@H]2CC[C@@H](C1)[N@@H+]2CCOc1cccc(C(=O)[O-])c1 ZINC000659802414 414561616 /nfs/dbraw/zinc/56/16/16/414561616.db2.gz WLQYEFXYENCUSS-GASCZTMLSA-N 0 1 287.359 2.947 20 30 CFEDMN C=CC[C@@H](Cc1ccccc1)n1cc([C@H](C)NC)nn1 ZINC000656458095 414581290 /nfs/dbraw/zinc/58/12/90/414581290.db2.gz XKESMEKHIMBZQB-ZFWWWQNUSA-N 0 1 270.380 2.918 20 30 CFEDMN C=CC[C@H](Cc1ccccc1)n1cc(CNC2CC2)nn1 ZINC000656457238 414581475 /nfs/dbraw/zinc/58/14/75/414581475.db2.gz HWOJAIFUNMZKHY-QGZVFWFLSA-N 0 1 282.391 2.890 20 30 CFEDMN Cc1ccncc1CCCN(C[C@H](C)C#N)C1CC1 ZINC000347862081 226385890 /nfs/dbraw/zinc/38/58/90/226385890.db2.gz VEETVLLMZWQHEF-CYBMUJFWSA-N 0 1 257.381 2.947 20 30 CFEDMN Cc1n[nH]c(CCNC(=O)C2C3CC4CC(C3)CC2C4)n1 ZINC000329082281 227286608 /nfs/dbraw/zinc/28/66/08/227286608.db2.gz DNWOKKIUVSCTSH-UHFFFAOYSA-N 0 1 288.395 2.684 20 30 CFEDMN N#C[C@H](C(=O)c1cc2cc(Cl)ccn2n1)c1ccccn1 ZINC000355096336 227393684 /nfs/dbraw/zinc/39/36/84/227393684.db2.gz JUKRTFUUGFBKCT-LBPRGKRZSA-N 0 1 296.717 2.873 20 30 CFEDMN N#CC(C(=O)c1cc2cc(Cl)ccn2n1)c1ccccn1 ZINC000355096336 227393687 /nfs/dbraw/zinc/39/36/87/227393687.db2.gz JUKRTFUUGFBKCT-LBPRGKRZSA-N 0 1 296.717 2.873 20 30 CFEDMN C[C@H]([NH+]=C([O-])N[C@@H]1CCc2c[nH]nc2C1)C1CCCCC1 ZINC000329833643 227962976 /nfs/dbraw/zinc/96/29/76/227962976.db2.gz LICFKQIQVMHVLQ-SMDDNHRTSA-N 0 1 290.411 2.739 20 30 CFEDMN C[C@H](NC([O-])=[NH+][C@@H]1CCc2c[nH]nc2C1)C1CCCCC1 ZINC000329833643 227962979 /nfs/dbraw/zinc/96/29/79/227962979.db2.gz LICFKQIQVMHVLQ-SMDDNHRTSA-N 0 1 290.411 2.739 20 30 CFEDMN Cc1cc(C)n([C@@H](C)CC(=O)NCCN2CC=CCC2)n1 ZINC000330061409 228030849 /nfs/dbraw/zinc/03/08/49/228030849.db2.gz OFDNSCRTOZSOSS-HNNXBMFYSA-N 0 1 290.411 2.669 20 30 CFEDMN O=C(N[C@H]1CCCc2cn[nH]c21)c1cc(=O)[nH]c(C2CC2)c1 ZINC000329976393 228004337 /nfs/dbraw/zinc/00/43/37/228004337.db2.gz YQGURJFHOQBOBS-LBPRGKRZSA-N 0 1 298.346 2.770 20 30 CFEDMN Cc1cccc2nc(CCC(=O)N[C@@H]3CCC[C@H]3C#N)[nH]c21 ZINC000331489902 228107129 /nfs/dbraw/zinc/10/71/29/228107129.db2.gz CWDZYYYRLRJZBW-QWHCGFSZSA-N 0 1 296.374 2.612 20 30 CFEDMN C[C@@H]1CCCC[C@@H]1N(C)C([O-])=[NH+][C@@H]1CCn2ccnc2C1 ZINC000330281492 228091393 /nfs/dbraw/zinc/09/13/93/228091393.db2.gz UTDMQSJGODQAGZ-MCIONIFRSA-N 0 1 290.411 2.622 20 30 CFEDMN O=C(N[C@@H]1C[C@H]1c1ccccc1)N[C@H]1CCCc2cn[nH]c21 ZINC000330284587 228093569 /nfs/dbraw/zinc/09/35/69/228093569.db2.gz XSFQLQQBGJBWQC-SOUVJXGZSA-N 0 1 296.374 2.847 20 30 CFEDMN N#Cc1cc2c(nc1-c1ccc(O)c(F)c1)CCOC2 ZINC001240786637 782031937 /nfs/dbraw/zinc/03/19/37/782031937.db2.gz XXHRNQMVXWIBBF-UHFFFAOYSA-N 0 1 270.263 2.538 20 30 CFEDMN N#Cc1nc(N2CCc3cnccc32)ccc1Cl ZINC000487792287 270342173 /nfs/dbraw/zinc/34/21/73/270342173.db2.gz ZUWXFCMMTASMDS-UHFFFAOYSA-N 0 1 256.696 2.696 20 30 CFEDMN C=CC[C@@H](CO)N[C@@H](C)c1nc2c(s1)CCCC2 ZINC000186713129 260008793 /nfs/dbraw/zinc/00/87/93/260008793.db2.gz RDSKAWDEZIHVOF-QWRGUYRKSA-N 0 1 266.410 2.610 20 30 CFEDMN C#CC[N@@H+](Cc1cccc2nccn21)C1CCCC1 ZINC000180585702 260106648 /nfs/dbraw/zinc/10/66/48/260106648.db2.gz XLUWBDDOLCOPJN-UHFFFAOYSA-N 0 1 253.349 2.712 20 30 CFEDMN CCN(CC(=O)N[C@@H](CCC#N)c1ccccc1)C1CC1 ZINC000154188549 261088636 /nfs/dbraw/zinc/08/86/36/261088636.db2.gz VJQLDXMEQXFWQA-INIZCTEOSA-N 0 1 285.391 2.632 20 30 CFEDMN C#CCN1CCC(C(=O)OCc2ccc(F)cc2C)CC1 ZINC000490865290 261229271 /nfs/dbraw/zinc/22/92/71/261229271.db2.gz ACYYGGDONYPLNF-UHFFFAOYSA-N 0 1 289.350 2.523 20 30 CFEDMN CC(C)(C#N)CCCCN1CCOCC12CCC2 ZINC000368438449 261262217 /nfs/dbraw/zinc/26/22/17/261262217.db2.gz LMPGGGLAJPLTKB-UHFFFAOYSA-N 0 1 250.386 2.961 20 30 CFEDMN C=CC1CCN(CC(=O)N(CCC#N)c2ccccc2)CC1 ZINC000111260457 262258756 /nfs/dbraw/zinc/25/87/56/262258756.db2.gz DMFYJQZBRKEHND-UHFFFAOYSA-N 0 1 297.402 2.831 20 30 CFEDMN C=CC1CCN([C@H](C)C(=O)Nc2ccc(OC)cc2)CC1 ZINC000111259156 262259040 /nfs/dbraw/zinc/25/90/40/262259040.db2.gz ZUFQAJLSLGNCNO-CYBMUJFWSA-N 0 1 288.391 2.920 20 30 CFEDMN N#CCC[C@H](C#N)CNC[C@@H]1CCCCC1(F)F ZINC000521412865 262315847 /nfs/dbraw/zinc/31/58/47/262315847.db2.gz NOANBUIVDFZLLR-NEPJUHHUSA-N 0 1 255.312 2.845 20 30 CFEDMN C(#Cc1ccccc1)CN1CCC(OC[C@@H]2CCOC2)CC1 ZINC000365268626 262357106 /nfs/dbraw/zinc/35/71/06/262357106.db2.gz ZFMYBOHEDQGRBX-GOSISDBHSA-N 0 1 299.414 2.556 20 30 CFEDMN CC(C)(C)OC(=O)N1CC[C@@H]2CCN(CCCC#N)C[C@H]21 ZINC000365408451 262364277 /nfs/dbraw/zinc/36/42/77/262364277.db2.gz HUUWGQRWKLLAOV-UONOGXRCSA-N 0 1 293.411 2.621 20 30 CFEDMN CC(C)(C)OC(=O)N1CC[C@H]2CCN(CCCC#N)C[C@@H]21 ZINC000365408449 262364308 /nfs/dbraw/zinc/36/43/08/262364308.db2.gz HUUWGQRWKLLAOV-KGLIPLIRSA-N 0 1 293.411 2.621 20 30 CFEDMN C[C@H](O)CCCN1CCC[C@@H]1[C@H](C#N)c1ccccc1 ZINC000336829263 262398616 /nfs/dbraw/zinc/39/86/16/262398616.db2.gz CBNQIMIDDMYQTG-USXIJHARSA-N 0 1 272.392 2.919 20 30 CFEDMN C[C@@H]1CN(C[C@@H](C#N)CCC#N)CCN1Cc1ccccc1 ZINC000411978769 262711732 /nfs/dbraw/zinc/71/17/32/262711732.db2.gz BVQPHIDVYIGCQN-SJLPKXTDSA-N 0 1 296.418 2.636 20 30 CFEDMN C[C@H]1CCC[C@](C#N)(NC(=O)c2cccc3n[nH]cc32)C1 ZINC000265356344 262906551 /nfs/dbraw/zinc/90/65/51/262906551.db2.gz LHSMRTLUNIMHDN-ZBEGNZNMSA-N 0 1 282.347 2.765 20 30 CFEDMN CC1(C#N)CCN(Cc2ccc3c(c2)OCCO3)CC1 ZINC000272572655 263006915 /nfs/dbraw/zinc/00/69/15/263006915.db2.gz NHZNTYODEPVJNE-UHFFFAOYSA-N 0 1 272.348 2.583 20 30 CFEDMN CC1(C#N)CCN(CCOc2ccccc2[N+](=O)[O-])CC1 ZINC000272596490 263007257 /nfs/dbraw/zinc/00/72/57/263007257.db2.gz QFWFJRDGQDGIHK-UHFFFAOYSA-N 0 1 289.335 2.599 20 30 CFEDMN N#CCCCNCc1cc([N+](=O)[O-])ccc1Cl ZINC000273110515 263012765 /nfs/dbraw/zinc/01/27/65/263012765.db2.gz XKEHLSZWSNXIEW-UHFFFAOYSA-N 0 1 253.689 2.642 20 30 CFEDMN N#CC1(c2ccc(-c3nc(C4(N)CCC4)no3)cc2)CC1 ZINC000414626123 263016277 /nfs/dbraw/zinc/01/62/77/263016277.db2.gz JQUZUWYNVYCLLS-UHFFFAOYSA-N 0 1 280.331 2.630 20 30 CFEDMN C[C@H](CCC#N)N1CCCN(C(=O)c2ccsc2)CC1 ZINC000276288092 263035549 /nfs/dbraw/zinc/03/55/49/263035549.db2.gz HEFYCFNHYHXMDM-CYBMUJFWSA-N 0 1 291.420 2.588 20 30 CFEDMN C[C@H]1CN(Cc2ccc(OCC#N)cc2)C[C@H](C2CC2)O1 ZINC000279267394 263054255 /nfs/dbraw/zinc/05/42/55/263054255.db2.gz IWBHLTAJCRSIED-SUMWQHHRSA-N 0 1 286.375 2.588 20 30 CFEDMN C[C@H]1CN(Cc2ccc(OCC#N)cc2)C[C@@H](C2CC2)O1 ZINC000279267392 263054442 /nfs/dbraw/zinc/05/44/42/263054442.db2.gz IWBHLTAJCRSIED-GUYCJALGSA-N 0 1 286.375 2.588 20 30 CFEDMN Cc1nc([C@@H]2CCCCN2CCCC(C)(C)C#N)n[nH]1 ZINC000366603177 263069706 /nfs/dbraw/zinc/06/97/06/263069706.db2.gz KRRGMKMZYCVGBC-ZDUSSCGKSA-N 0 1 275.400 2.970 20 30 CFEDMN CN(CC#Cc1ccccc1Cl)CC1(O)CCC1 ZINC000353493222 263098315 /nfs/dbraw/zinc/09/83/15/263098315.db2.gz WIWJRNNFZSGNKA-UHFFFAOYSA-N 0 1 263.768 2.538 20 30 CFEDMN C[C@@H](CF)NCc1cn(CCC#N)nc1-c1ccccc1 ZINC000288441878 263104406 /nfs/dbraw/zinc/10/44/06/263104406.db2.gz LYGCDWWLAAIXRF-ZDUSSCGKSA-N 0 1 286.354 2.911 20 30 CFEDMN N#CC[C@@H]1CC[C@H](NC(=O)c2ccc(O)c(Cl)c2)C1 ZINC000295593601 263180103 /nfs/dbraw/zinc/18/01/03/263180103.db2.gz RPRVNKQLZAOWOG-ONGXEEELSA-N 0 1 278.739 2.858 20 30 CFEDMN CC(C)[C@](C)(C#N)NC(=O)CNc1ccc2cnccc2c1 ZINC000296890340 263197832 /nfs/dbraw/zinc/19/78/32/263197832.db2.gz OMVVYXNBSKHQPH-KRWDZBQOSA-N 0 1 296.374 2.701 20 30 CFEDMN CCN(CCC#N)C(=O)CN(Cc1cccs1)C(C)C ZINC000299170844 263233346 /nfs/dbraw/zinc/23/33/46/263233346.db2.gz RVLQTNBVGGPJQP-UHFFFAOYSA-N 0 1 293.436 2.721 20 30 CFEDMN CC[C@@](C)(COc1ncccc1Cl)NCCC#N ZINC000299710516 263253308 /nfs/dbraw/zinc/25/33/08/263253308.db2.gz QIFVGVPKCSHBBA-ZDUSSCGKSA-N 0 1 267.760 2.786 20 30 CFEDMN C=CCOc1ccc(CNCc2cnccc2OC)cc1 ZINC000353614243 263268033 /nfs/dbraw/zinc/26/80/33/263268033.db2.gz RMLBOIVIWJHDFZ-UHFFFAOYSA-N 0 1 284.359 2.945 20 30 CFEDMN C=CCCS(=O)(=O)Nc1cc(F)ccc1OC(F)F ZINC000120300605 263283051 /nfs/dbraw/zinc/28/30/51/263283051.db2.gz GYJVHBISTJRUMF-UHFFFAOYSA-N 0 1 295.282 2.745 20 30 CFEDMN CC[C@@H]1CCCC[C@H]1[N@@H+](C)CC(=O)N[C@@](C)(C#N)C(C)C ZINC000120827129 263286696 /nfs/dbraw/zinc/28/66/96/263286696.db2.gz WJNWLLZWOXUWMZ-INMHGKMJSA-N 0 1 293.455 2.941 20 30 CFEDMN C=CCN(C)[C@H](C)C(=O)N[C@@H](C)c1ccc(F)cc1 ZINC000121338368 263292612 /nfs/dbraw/zinc/29/26/12/263292612.db2.gz WUSAHXMUFSZIIO-NWDGAFQWSA-N 0 1 264.344 2.509 20 30 CFEDMN C=CCCC[C@H](C)N1CCN(CC(F)(F)F)CC1 ZINC000340762139 263305010 /nfs/dbraw/zinc/30/50/10/263305010.db2.gz UHOAWSLRCGDTNJ-LBPRGKRZSA-N 0 1 264.335 2.911 20 30 CFEDMN C[C@@H]1C[C@@H](O)CN1CC#Cc1ccc(C(F)(F)F)cc1 ZINC000340913793 263314820 /nfs/dbraw/zinc/31/48/20/263314820.db2.gz GZLFYOQSXYZFBK-BXUZGUMPSA-N 0 1 283.293 2.512 20 30 CFEDMN Cc1cc(CNCc2cccc(OCCCC#N)c2)n(C)n1 ZINC000341375689 263335062 /nfs/dbraw/zinc/33/50/62/263335062.db2.gz IKPZVUHDBYJQES-UHFFFAOYSA-N 0 1 298.390 2.701 20 30 CFEDMN C=CC[C@H](CC)NC(=O)N[C@@H](c1nnc[nH]1)c1ccccc1 ZINC000341432795 263338226 /nfs/dbraw/zinc/33/82/26/263338226.db2.gz MAKMQDXPPVATCZ-UONOGXRCSA-N 0 1 299.378 2.548 20 30 CFEDMN COCC1(C#N)CCN(Cc2ccc(C#N)c(C)c2)CC1 ZINC000341981625 263369612 /nfs/dbraw/zinc/36/96/12/263369612.db2.gz FURJTVDAJYHOQJ-UHFFFAOYSA-N 0 1 283.375 2.619 20 30 CFEDMN COCC1(C#N)CCN(Cc2ccc(CC#N)cc2)CC1 ZINC000342005869 263376272 /nfs/dbraw/zinc/37/62/72/263376272.db2.gz BJKYOMZININEHA-UHFFFAOYSA-N 0 1 283.375 2.505 20 30 CFEDMN CCc1nnc(SCc2ccc(CC#N)cc2)[nH]1 ZINC000342218979 263410196 /nfs/dbraw/zinc/41/01/96/263410196.db2.gz FVGUVLUDYILEAE-UHFFFAOYSA-N 0 1 258.350 2.725 20 30 CFEDMN CCc1n[nH]c(SCc2ccc(CC#N)cc2)n1 ZINC000342218979 263410198 /nfs/dbraw/zinc/41/01/98/263410198.db2.gz FVGUVLUDYILEAE-UHFFFAOYSA-N 0 1 258.350 2.725 20 30 CFEDMN C#Cc1ccc(NC(=O)N2C[C@@H](C)N(CC)C[C@H]2C)cc1 ZINC000934932364 649857143 /nfs/dbraw/zinc/85/71/43/649857143.db2.gz GJWMCJFHMJUIMY-ZIAGYGMSSA-N 0 1 285.391 2.614 20 30 CFEDMN Cc1ccc(NC(=O)CN[C@H]2CC[C@@H](C#N)C2)c(Cl)c1 ZINC000425341625 264009589 /nfs/dbraw/zinc/00/95/89/264009589.db2.gz DTFPBDYGROZDJC-NEPJUHHUSA-N 0 1 291.782 2.869 20 30 CFEDMN C[C@@H]1CC[C@H]([NH+]=C([O-])N(C)CCn2cccn2)C[C@@H]1C ZINC000330849136 264067463 /nfs/dbraw/zinc/06/74/63/264067463.db2.gz MUHSRLWZYXBUMP-RDBSUJKOSA-N 0 1 278.400 2.554 20 30 CFEDMN C[C@H](Cn1cccn1)NC([O-])=[NH+]C(C)(C)CC(C)(C)C ZINC000330966353 264090342 /nfs/dbraw/zinc/09/03/42/264090342.db2.gz CVERTHIUGABYPI-GFCCVEGCSA-N 0 1 280.416 2.990 20 30 CFEDMN C[C@H](Cn1cccn1)[NH+]=C([O-])NC(C)(C)CC(C)(C)C ZINC000330966353 264090345 /nfs/dbraw/zinc/09/03/45/264090345.db2.gz CVERTHIUGABYPI-GFCCVEGCSA-N 0 1 280.416 2.990 20 30 CFEDMN CCC[C@H]1CCCN(C(=O)NCc2cn[nH]c2C)C1 ZINC000330971193 264092534 /nfs/dbraw/zinc/09/25/34/264092534.db2.gz FLCVNAVEEUXFOK-LBPRGKRZSA-N 0 1 264.373 2.644 20 30 CFEDMN CC1(C)CCC[N@H+](CCNC(=O)c2ccc([O-])cc2F)C1 ZINC000331281964 264172223 /nfs/dbraw/zinc/17/22/23/264172223.db2.gz CTAXUPLYJTZGPL-UHFFFAOYSA-N 0 1 294.370 2.958 20 30 CFEDMN CC1(C)CCC[N@@H+](CCNC(=O)c2ccc([O-])cc2F)C1 ZINC000331281964 264172226 /nfs/dbraw/zinc/17/22/26/264172226.db2.gz CTAXUPLYJTZGPL-UHFFFAOYSA-N 0 1 294.370 2.958 20 30 CFEDMN Cc1scc(C(=O)NC[C@@H]2CCCCN2CCO)c1C ZINC000331346422 264205055 /nfs/dbraw/zinc/20/50/55/264205055.db2.gz WBVBFNIFXBEPSY-ZDUSSCGKSA-N 0 1 296.436 2.516 20 30 CFEDMN C=C1CCN(CC[C@@H](C(=O)OC)c2ccccc2)CC1 ZINC000425412871 264291278 /nfs/dbraw/zinc/29/12/78/264291278.db2.gz ZQUZIJPBJJWMMM-MRXNPFEDSA-N 0 1 273.376 2.985 20 30 CFEDMN Cc1csc(C(C#N)=C([O-])c2cc(C(C)C)nn2C)n1 ZINC000080251882 264392233 /nfs/dbraw/zinc/39/22/33/264392233.db2.gz YOZJNXQVHCHVOU-JTQLQIEISA-N 0 1 288.376 2.799 20 30 CFEDMN Cc1csc(C(C#N)C(=O)c2cc(C(C)C)nn2C)n1 ZINC000080251882 264392235 /nfs/dbraw/zinc/39/22/35/264392235.db2.gz YOZJNXQVHCHVOU-JTQLQIEISA-N 0 1 288.376 2.799 20 30 CFEDMN C=C[C@@](C)(CC)C(=O)NCCN1CCc2ccccc2C1 ZINC000190103800 264392459 /nfs/dbraw/zinc/39/24/59/264392459.db2.gz BXXXEJVLLOYUTI-SFHVURJKSA-N 0 1 286.419 2.763 20 30 CFEDMN C#CCOc1ccccc1C[N@@H+]1CCC[C@@](CC)(CO)C1 ZINC000190228209 264395792 /nfs/dbraw/zinc/39/57/92/264395792.db2.gz JSDZLQLSKYHYJP-GOSISDBHSA-N 0 1 287.403 2.683 20 30 CFEDMN COc1ccc(CNCc2cc(C#N)cs2)cc1OC ZINC000093492046 265180972 /nfs/dbraw/zinc/18/09/72/265180972.db2.gz VHUGYVZWFYXRSN-UHFFFAOYSA-N 0 1 288.372 2.927 20 30 CFEDMN CC(C)N(C(=O)[C@H](C)N1CCC(C)(C#N)CC1)C(C)C ZINC000356446220 266116219 /nfs/dbraw/zinc/11/62/19/266116219.db2.gz LLDKCWTVSGVOEC-AWEZNQCLSA-N 0 1 279.428 2.646 20 30 CFEDMN C=CCCC1(C(=O)N[C@@H]2CCCc3cn[nH]c32)CC1 ZINC000356458565 266118122 /nfs/dbraw/zinc/11/81/22/266118122.db2.gz LMUUGMGKUPWTCK-GFCCVEGCSA-N 0 1 259.353 2.650 20 30 CFEDMN C=CCCC1(C(=O)N[C@H](C)Cc2cc(C)[nH]n2)CC1 ZINC000356467809 266119148 /nfs/dbraw/zinc/11/91/48/266119148.db2.gz PCAAFKLHOAPQDA-LLVKDONJSA-N 0 1 261.369 2.512 20 30 CFEDMN C=CCCc1nc(Cc2nnc(-c3ccccc3)[nH]2)no1 ZINC000356751494 266169016 /nfs/dbraw/zinc/16/90/16/266169016.db2.gz KRSPSPVBHFWEDN-UHFFFAOYSA-N 0 1 281.319 2.564 20 30 CFEDMN C=C[C@H](CC(=O)N1CCN(C)[C@@H](C)[C@@H]1C)c1ccccc1 ZINC000356877969 266202125 /nfs/dbraw/zinc/20/21/25/266202125.db2.gz MVUGUOAFRRWWPG-HRCADAONSA-N 0 1 286.419 2.897 20 30 CFEDMN C=C[C@H](CC(=O)N1CCN(C)[C@H](C)[C@@H]1C)c1ccccc1 ZINC000356877970 266202953 /nfs/dbraw/zinc/20/29/53/266202953.db2.gz MVUGUOAFRRWWPG-OWCLPIDISA-N 0 1 286.419 2.897 20 30 CFEDMN Cc1ccc(-c2cncc(C(=O)NC3=NO[C@H](C)C3)c2)cc1 ZINC000367276526 266344666 /nfs/dbraw/zinc/34/46/66/266344666.db2.gz GFGUVYNZYNYXFH-GFCCVEGCSA-N 0 1 295.342 2.909 20 30 CFEDMN C=CCN(CC(F)(F)F)C(=O)[C@H](C)N1CCCCCC1 ZINC000357805748 266367649 /nfs/dbraw/zinc/36/76/49/266367649.db2.gz KVDGJAKMRAJTIB-LBPRGKRZSA-N 0 1 292.345 2.828 20 30 CFEDMN CC[C@@H]1CN(CCOc2cccc(C#N)c2)C[C@@H](CC)O1 ZINC000398504852 266378188 /nfs/dbraw/zinc/37/81/88/266378188.db2.gz DWSPFRJSQRAWKW-HZPDHXFCSA-N 0 1 288.391 2.826 20 30 CFEDMN C=CCN(C(=O)NCc1nc2ccc(C)cc2[nH]1)C1CC1 ZINC000357881124 266381852 /nfs/dbraw/zinc/38/18/52/266381852.db2.gz OWLMYJYSFWZPGE-UHFFFAOYSA-N 0 1 284.363 2.731 20 30 CFEDMN C=CCOc1ccccc1CN[C@@H]1C[C@H](OCC)[C@H]1OC ZINC000361164970 266794326 /nfs/dbraw/zinc/79/43/26/266794326.db2.gz HRMSECGFLDIMNB-PVAVHDDUSA-N 0 1 291.391 2.533 20 30 CFEDMN C=C[C@H](C)NC(=O)c1n[nH]c2ccc(Br)cc21 ZINC000362589875 267013951 /nfs/dbraw/zinc/01/39/51/267013951.db2.gz ASVLAUBWIOAIAQ-ZETCQYMHSA-N 0 1 294.152 2.630 20 30 CFEDMN C=CCN1CC[C@@H](N2CCC(C)=C(c3ccco3)C2)C1=O ZINC000368476483 267176177 /nfs/dbraw/zinc/17/61/77/267176177.db2.gz DCLDYPQCOCVMJP-OAHLLOKOSA-N 0 1 286.375 2.546 20 30 CFEDMN C=C(Br)CN1CCCC[C@@H](COC)C1 ZINC000368661484 267194669 /nfs/dbraw/zinc/19/46/69/267194669.db2.gz WFBAMGHOKDUUKL-LLVKDONJSA-N 0 1 262.191 2.644 20 30 CFEDMN C[C@H]1CC[C@H](CN2CCC(C#N)(c3ccccn3)CC2)O1 ZINC000369205707 267226279 /nfs/dbraw/zinc/22/62/79/267226279.db2.gz KLQXDSPQAHPEHS-LSDHHAIUSA-N 0 1 285.391 2.506 20 30 CFEDMN C=C(C)CN(C)C(=O)[C@H]1CCc2[nH]c(C(C)C)nc2C1 ZINC000369639697 267256961 /nfs/dbraw/zinc/25/69/61/267256961.db2.gz PLBQZGRQWBOLAO-LBPRGKRZSA-N 0 1 275.396 2.673 20 30 CFEDMN C=CCCCCC[N@@H+]1CC[C@](O)(C(F)(F)F)C1 ZINC000193373000 267301485 /nfs/dbraw/zinc/30/14/85/267301485.db2.gz IRAYNLBLDXCMAQ-LLVKDONJSA-N 0 1 251.292 2.732 20 30 CFEDMN C=CCN(CCCF)Cc1cccc([N+](=O)[O-])c1 ZINC000123148022 268002677 /nfs/dbraw/zinc/00/26/77/268002677.db2.gz QKSAVOIJPDLAIP-UHFFFAOYSA-N 0 1 252.289 2.942 20 30 CFEDMN N#CCC[C@H](C#N)CN1CCC2(Cc3ccccc3C2)C1 ZINC000377240821 268059079 /nfs/dbraw/zinc/05/90/79/268059079.db2.gz PLFUTPOQPKDHKD-OAHLLOKOSA-N 0 1 279.387 2.921 20 30 CFEDMN N#Cc1ccc(CN2CC[C@H](Oc3ccccc3)C2)nc1 ZINC000519711973 268223561 /nfs/dbraw/zinc/22/35/61/268223561.db2.gz SCHRXYSIQWNDKU-KRWDZBQOSA-N 0 1 279.343 2.607 20 30 CFEDMN N#Cc1c(Cl)cccc1NCCN1CC=CCC1 ZINC000392832640 270306980 /nfs/dbraw/zinc/30/69/80/270306980.db2.gz GPKGMUGIMAEVSC-UHFFFAOYSA-N 0 1 261.756 2.885 20 30 CFEDMN CC(C)(C)C1=CCN(Cc2cnc3c(C#N)cnn3c2)CC1 ZINC000514603596 270347102 /nfs/dbraw/zinc/34/71/02/270347102.db2.gz RMQUKPFRVXVXKF-UHFFFAOYSA-N 0 1 295.390 2.779 20 30 CFEDMN COc1cc(CN[C@H](CO)c2ccccc2C)ccc1C#N ZINC000515345610 270368258 /nfs/dbraw/zinc/36/82/58/270368258.db2.gz CUAXNWRRAOTZNF-QGZVFWFLSA-N 0 1 296.370 2.699 20 30 CFEDMN C=C[C@@H](CO)N[C@H]1CC2(CCC2)Oc2ccccc21 ZINC000353565837 273487441 /nfs/dbraw/zinc/48/74/41/273487441.db2.gz KTJPEHGBFCUQOF-JSGCOSHPSA-N 0 1 259.349 2.569 20 30 CFEDMN C[C@@H]1CN(c2ccc(Cl)cc2C#N)C[C@@H](C)N1C ZINC000135267136 274363397 /nfs/dbraw/zinc/36/33/97/274363397.db2.gz ATXDNHSYUJAYBF-GHMZBOCLSA-N 0 1 263.772 2.740 20 30 CFEDMN O[C@@H]1CCCN(CC#Cc2ccc(C(F)(F)F)cc2)CC1 ZINC000293139957 275053517 /nfs/dbraw/zinc/05/35/17/275053517.db2.gz NKUOJTYNJKRUGI-OAHLLOKOSA-N 0 1 297.320 2.904 20 30 CFEDMN CC(C)(C)N1CC[C@@H](N[C@H]2CCc3ccc(C#N)cc32)C1=O ZINC000335405062 275513493 /nfs/dbraw/zinc/51/34/93/275513493.db2.gz CCUMQUFIYLFLJE-JKSUJKDBSA-N 0 1 297.402 2.535 20 30 CFEDMN CO[C@H]1CCCC[C@H]1NCc1ccc(F)cc1C#N ZINC000429509101 277737877 /nfs/dbraw/zinc/73/78/77/277737877.db2.gz FDZCQPKIQXMRJT-CABCVRRESA-N 0 1 262.328 2.745 20 30 CFEDMN CC1(C)CC[C@H](C(=O)NC2(c3nnc[nH]3)CCC2)C1 ZINC000329358700 278271899 /nfs/dbraw/zinc/27/18/99/278271899.db2.gz XFJPJRIRSOXMLR-JTQLQIEISA-N 0 1 262.357 2.967 20 30 CFEDMN Cc1c[nH]nc1CN[C@H]1CCCc2cc(C#N)ccc21 ZINC000334951511 280284299 /nfs/dbraw/zinc/28/42/99/280284299.db2.gz LSEHNSVDJWLIIW-HNNXBMFYSA-N 0 1 266.348 2.757 20 30 CFEDMN CCC[C@H](C)NC(=O)[C@@H](C)N[C@H](C)c1ccc(C#N)cc1 ZINC000252431460 281076005 /nfs/dbraw/zinc/07/60/05/281076005.db2.gz JQUZNXNTIWXDPK-BFHYXJOUSA-N 0 1 287.407 2.902 20 30 CFEDMN Cc1cccc(CN2CCN(c3ccncc3C#N)CC2)c1 ZINC000546653640 281715493 /nfs/dbraw/zinc/71/54/93/281715493.db2.gz SXSXKZQHAAQKHZ-UHFFFAOYSA-N 0 1 292.386 2.584 20 30 CFEDMN C=C(C)CN1CC[C@H]1CN(C)C(=O)c1ccccc1F ZINC001085456908 782060510 /nfs/dbraw/zinc/06/05/10/782060510.db2.gz WBKAGVKIJUXZBE-ZDUSSCGKSA-N 0 1 276.355 2.548 20 30 CFEDMN O=C(N[C@@H]1CCCc2cn[nH]c21)[C@H]1CCCOCC1 ZINC000330217213 295380692 /nfs/dbraw/zinc/38/06/92/295380692.db2.gz IGPKRJFMRFCFMB-CMPLNLGQSA-N 0 1 263.341 2.560 20 30 CFEDMN C=CC[N@@H+](CCOC[C@H]1CCCO1)Cc1cccs1 ZINC000152108228 328069925 /nfs/dbraw/zinc/06/99/25/328069925.db2.gz MYFCJFFYDGXETP-CQSZACIVSA-N 0 1 281.421 2.932 20 30 CFEDMN C=CCN(CCOC[C@H]1CCCO1)Cc1cccs1 ZINC000152108228 328069927 /nfs/dbraw/zinc/06/99/27/328069927.db2.gz MYFCJFFYDGXETP-CQSZACIVSA-N 0 1 281.421 2.932 20 30 CFEDMN N#CCCN(CC1CC1)C(=O)c1cc(-c2ccccc2)[nH]n1 ZINC000264078547 328157294 /nfs/dbraw/zinc/15/72/94/328157294.db2.gz PSDHFLDINRIGHX-UHFFFAOYSA-N 0 1 294.358 2.843 20 30 CFEDMN C[C@@H]1CN(Cc2ccc(OCC#N)cc2)CC(C)(C)O1 ZINC000264572485 328160427 /nfs/dbraw/zinc/16/04/27/328160427.db2.gz SIKDXMPXDOKOPV-CYBMUJFWSA-N 0 1 274.364 2.588 20 30 CFEDMN C[C@H](CC#N)N(C)CCCOCCc1ccccc1 ZINC000268267413 328183672 /nfs/dbraw/zinc/18/36/72/328183672.db2.gz BEQNKQRDHRYODL-OAHLLOKOSA-N 0 1 260.381 2.870 20 30 CFEDMN Cc1cccc(CN2CCN([C@H](C)CCC#N)CC2)c1 ZINC000276352688 328217827 /nfs/dbraw/zinc/21/78/27/328217827.db2.gz WRHHOJRRWYMKOY-MRXNPFEDSA-N 0 1 271.408 2.805 20 30 CFEDMN CN(Cc1cnn(-c2ccccc2)c1)[C@@H]1CC[C@H](C#N)C1 ZINC000278529150 328226368 /nfs/dbraw/zinc/22/63/68/328226368.db2.gz DVNNRWDGSMCUEC-WMLDXEAASA-N 0 1 280.375 2.996 20 30 CFEDMN C=C(C)CN(C)CC(=O)N(C)[C@@H](C)c1ccc(F)cc1 ZINC000181310020 329230667 /nfs/dbraw/zinc/23/06/67/329230667.db2.gz QSUZUKIVVPXHKE-ZDUSSCGKSA-N 0 1 278.371 2.853 20 30 CFEDMN C=C(C)C[N@H+](C)[C@H](C)C(=O)N[C@@H]1CCC[C@@H](C)[C@H]1C ZINC000181274979 329228889 /nfs/dbraw/zinc/22/88/89/329228889.db2.gz ABOCKCCGCINFEL-KBUPBQIOSA-N 0 1 266.429 2.824 20 30 CFEDMN C=C(C)CN(C)[C@H](C)C(=O)N[C@@H]1CCC[C@@H](C)[C@H]1C ZINC000181274979 329228890 /nfs/dbraw/zinc/22/88/90/329228890.db2.gz ABOCKCCGCINFEL-KBUPBQIOSA-N 0 1 266.429 2.824 20 30 CFEDMN C=C(C)CN1CC[C@H]1CN(C)C(=O)[C@H]1[C@@H]2CCCC[C@@H]21 ZINC001085531870 782090301 /nfs/dbraw/zinc/09/03/01/782090301.db2.gz BPFKMQAMNDKKDR-CAOSSQGBSA-N 0 1 276.424 2.531 20 30 CFEDMN C=CCCCC(=O)N1CCCC[C@H]1c1n[nH]c(C)n1 ZINC000366708743 328298773 /nfs/dbraw/zinc/29/87/73/328298773.db2.gz LQSYFKRPUUKEPD-LBPRGKRZSA-N 0 1 262.357 2.523 20 30 CFEDMN C[C@@H]1CCN(CC(=O)Nc2ccc(C#N)cc2)[C@H](C)C1 ZINC000051731822 322319540 /nfs/dbraw/zinc/31/95/40/322319540.db2.gz ZLNPDUMHDKKHRJ-CHWSQXEVSA-N 0 1 271.364 2.617 20 30 CFEDMN CCC(CC)(CNCc1ccc(F)cc1C#N)C(=O)OC ZINC000159687675 322326818 /nfs/dbraw/zinc/32/68/18/322326818.db2.gz KVFSQLAGHZJKGP-UHFFFAOYSA-N 0 1 292.354 2.766 20 30 CFEDMN N#Cc1ccc(CNC[C@@H]2CSc3ccccc3O2)o1 ZINC000573119733 322644958 /nfs/dbraw/zinc/64/49/58/322644958.db2.gz LPBJFWDVXVRZAK-CYBMUJFWSA-N 0 1 286.356 2.794 20 30 CFEDMN N#Cc1ccc(CNCc2ccc(Cn3ccnc3)cc2)o1 ZINC000174265007 323646523 /nfs/dbraw/zinc/64/65/23/323646523.db2.gz XNENEOAFKGQXEE-UHFFFAOYSA-N 0 1 292.342 2.686 20 30 CFEDMN CC(C)Oc1ccc(NC(=O)c2cncc(O)c2)cc1C#N ZINC000179115526 323734326 /nfs/dbraw/zinc/73/43/26/323734326.db2.gz RDSTWRYOIDFLNU-UHFFFAOYSA-N 0 1 297.314 2.698 20 30 CFEDMN CC1(C)CC[C@H]1NCc1c(C#N)cccc1[N+](=O)[O-] ZINC000580901099 325074120 /nfs/dbraw/zinc/07/41/20/325074120.db2.gz KFXIWCBNRXAAEY-CYBMUJFWSA-N 0 1 259.309 2.745 20 30 CFEDMN COC(=O)c1cccc(CN2CC(C)(C)C[C@H]2C)c1C#N ZINC000583190270 325267381 /nfs/dbraw/zinc/26/73/81/325267381.db2.gz MZELJYAWCORKPS-GFCCVEGCSA-N 0 1 286.375 2.965 20 30 CFEDMN C#CCC(C)(C)C(=O)NC[C@@H](c1cccs1)N(C)C ZINC000184904268 328541019 /nfs/dbraw/zinc/54/10/19/328541019.db2.gz DSDMRVKDQUMYIG-LBPRGKRZSA-N 0 1 278.421 2.517 20 30 CFEDMN C=CCN(C)C(=O)NC[C@H](c1ccc(Cl)cc1)N(C)C ZINC000583908404 326789993 /nfs/dbraw/zinc/78/99/93/326789993.db2.gz OBPWIJAEFXOMFH-CQSZACIVSA-N 0 1 295.814 2.770 20 30 CFEDMN C=CC[C@H](C)[C@H](C)NCc1n[nH]cc1Br ZINC000309012760 327137566 /nfs/dbraw/zinc/13/75/66/327137566.db2.gz SKKLVJAVWZSZLE-IUCAKERBSA-N 0 1 272.190 2.863 20 30 CFEDMN C=CCOCCN[C@@H](c1ncc[nH]1)C1CCCCC1 ZINC000367617654 328932791 /nfs/dbraw/zinc/93/27/91/328932791.db2.gz RAWUEJKXQNMDML-CQSZACIVSA-N 0 1 263.385 2.823 20 30 CFEDMN C#Cc1ccc(C[N@@H+]2CCCC[C@@H]2C(=O)N2CCCC2)cc1 ZINC000377656328 329023307 /nfs/dbraw/zinc/02/33/07/329023307.db2.gz XJLPJYACYTZHSY-GOSISDBHSA-N 0 1 296.414 2.645 20 30 CFEDMN C#Cc1ccc(CN2CCCC[C@@H]2C(=O)N2CCCC2)cc1 ZINC000377656328 329023309 /nfs/dbraw/zinc/02/33/09/329023309.db2.gz XJLPJYACYTZHSY-GOSISDBHSA-N 0 1 296.414 2.645 20 30 CFEDMN C=C(C)CN(C)CC(=O)N1CCC[C@H]1c1cccs1 ZINC000378497879 329053345 /nfs/dbraw/zinc/05/33/45/329053345.db2.gz SBCRSKWRDPTLHZ-ZDUSSCGKSA-N 0 1 278.421 2.920 20 30 CFEDMN C#CCCCNC(=O)[C@@H]1CCCCN1Cc1ccccc1 ZINC000173366130 329146524 /nfs/dbraw/zinc/14/65/24/329146524.db2.gz SREWCVJFFGQHOV-KRWDZBQOSA-N 0 1 284.403 2.571 20 30 CFEDMN C=C(C)CN(C)[C@H](C)C(=O)N(CC)Cc1ccccc1 ZINC000181253158 329228221 /nfs/dbraw/zinc/22/82/21/329228221.db2.gz DITRWCGTORFIKX-OAHLLOKOSA-N 0 1 274.408 2.932 20 30 CFEDMN C=C(C)CN(C)[C@@H](C)C(=O)N(CCC#N)c1ccccc1 ZINC000181261799 329228294 /nfs/dbraw/zinc/22/82/94/329228294.db2.gz BSARMPVYSITCPY-HNNXBMFYSA-N 0 1 285.391 2.830 20 30 CFEDMN C=C(C)CN(C)[C@H]1CCN(c2cccc(Cl)c2)C1=O ZINC000181277234 329229051 /nfs/dbraw/zinc/22/90/51/329229051.db2.gz LMUKXHOENYHDRK-AWEZNQCLSA-N 0 1 278.783 2.953 20 30 CFEDMN C=C(C)CN(C)[C@@H](C)C(=O)N1CCCC[C@H]1CC ZINC000181282241 329229080 /nfs/dbraw/zinc/22/90/80/329229080.db2.gz VUEJOKYAKPOCQZ-UONOGXRCSA-N 0 1 252.402 2.674 20 30 CFEDMN C=C(C)CN(C)[C@H](C)C(=O)N1CCCC[C@@H]1CC ZINC000181282223 329229262 /nfs/dbraw/zinc/22/92/62/329229262.db2.gz VUEJOKYAKPOCQZ-KGLIPLIRSA-N 0 1 252.402 2.674 20 30 CFEDMN C=C(C)CN(C)CC(=O)N(Cc1ccccc1)C1CC1 ZINC000181294241 329229985 /nfs/dbraw/zinc/22/99/85/329229985.db2.gz IRFGXZSELYTQQG-UHFFFAOYSA-N 0 1 272.392 2.686 20 30 CFEDMN C=C(C)CN(C)CC(=O)N(C)[C@@H]1CCCC[C@@H]1C ZINC000181292951 329230062 /nfs/dbraw/zinc/23/00/62/329230062.db2.gz GMOPNOIBSBMQML-UONOGXRCSA-N 0 1 252.402 2.531 20 30 CFEDMN C=C(C)CN(C)CC(=O)NC1(c2ccccc2)CCC1 ZINC000181316202 329231147 /nfs/dbraw/zinc/23/11/47/329231147.db2.gz JYLSTVMFNFWMTP-UHFFFAOYSA-N 0 1 272.392 2.690 20 30 CFEDMN Cc1csc(C(C#N)C(=O)c2cnn(CC(C)C)c2)n1 ZINC000181489510 329233696 /nfs/dbraw/zinc/23/36/96/329233696.db2.gz IRDSMBMIHDTZGX-LBPRGKRZSA-N 0 1 288.376 2.794 20 30 CFEDMN COc1cc(OC)c(OC)cc1CNCC(C)(C)CC#N ZINC000459705430 329366639 /nfs/dbraw/zinc/36/66/39/329366639.db2.gz YOAPQFNSEVQRMB-UHFFFAOYSA-N 0 1 292.379 2.742 20 30 CFEDMN CC(C)CCNC(=O)[C@H](C)N1CCC(CCC#N)CC1 ZINC000399301583 329450407 /nfs/dbraw/zinc/45/04/07/329450407.db2.gz NEHKNCFLWSENSO-AWEZNQCLSA-N 0 1 279.428 2.553 20 30 CFEDMN C=CCN1CC[C@H](N[C@@H](CC(F)F)c2ccccc2)C1=O ZINC000420990643 329795884 /nfs/dbraw/zinc/79/58/84/329795884.db2.gz GALCUTFEZRHVBE-KBPBESRZSA-N 0 1 294.345 2.759 20 30 CFEDMN Cc1c(Cl)c(CN[C@H]2CC[C@@H](CC#N)C2)nn1C ZINC000421386903 329819266 /nfs/dbraw/zinc/81/92/66/329819266.db2.gz SFJNIQKCCLVDJZ-QWRGUYRKSA-N 0 1 266.776 2.554 20 30 CFEDMN C=CCOc1cccc(C[N@@H+]2C[C@H](C(=O)[O-])CC[C@H]2C)c1 ZINC000263356288 330052858 /nfs/dbraw/zinc/05/28/58/330052858.db2.gz QXIHUXKQQQFGRN-UKRRQHHQSA-N 0 1 289.375 2.937 20 30 CFEDMN C=C[C@@H]1OCC[C@H]1N[C@@H](C)c1ccncc1Cl ZINC000421853769 330088621 /nfs/dbraw/zinc/08/86/21/330088621.db2.gz JUVLMIKZBJMHOQ-BIMULSAOSA-N 0 1 252.745 2.729 20 30 CFEDMN C=C(C)COCCN[C@@H](C)c1ccncc1Cl ZINC000421843353 330094297 /nfs/dbraw/zinc/09/42/97/330094297.db2.gz MOENIDMNLBJBRN-NSHDSACASA-N 0 1 254.761 2.978 20 30 CFEDMN C=CCOc1ccc(C[N@H+]2C[C@@H](C)C[C@H](C(=O)[O-])C2)cc1 ZINC000422639518 330150591 /nfs/dbraw/zinc/15/05/91/330150591.db2.gz WWRUAPORYRDVGB-ZFWWWQNUSA-N 0 1 289.375 2.794 20 30 CFEDMN C=C[C@@H]1OCC[C@H]1NCc1ccsc1Br ZINC000527719238 330277127 /nfs/dbraw/zinc/27/71/27/330277127.db2.gz ZFPFYLHRNTWBIQ-ZJUUUORDSA-N 0 1 288.210 2.944 20 30 CFEDMN C=CCn1cc(CNC2CC(c3ccc(F)cc3)C2)nn1 ZINC000424301287 330337801 /nfs/dbraw/zinc/33/78/01/330337801.db2.gz ZREXEITXHPCNIG-UHFFFAOYSA-N 0 1 286.354 2.639 20 30 CFEDMN C=CCCO[C@H](C)c1nc(C2(N)CCCCC2)no1 ZINC000424340392 330344052 /nfs/dbraw/zinc/34/40/52/330344052.db2.gz GUKBALRPMPVZNH-LLVKDONJSA-N 0 1 265.357 2.841 20 30 CFEDMN CCOC(=O)[C@@H]1CCCCN1CCCC(C)(C)C#N ZINC000118825831 330368140 /nfs/dbraw/zinc/36/81/40/330368140.db2.gz LBOKDNXJHRXNMT-ZDUSSCGKSA-N 0 1 266.385 2.734 20 30 CFEDMN CCOC(=O)CN(CCCC(C)(C)C#N)C(C)C ZINC000087607103 330373792 /nfs/dbraw/zinc/37/37/92/330373792.db2.gz XCPBTHXSDGYJPZ-UHFFFAOYSA-N 0 1 254.374 2.590 20 30 CFEDMN CC[C@@H](NCc1ccc(CC#N)cc1)c1ccn(C)n1 ZINC000515382921 330476064 /nfs/dbraw/zinc/47/60/64/330476064.db2.gz GPMCHJKAAASUBQ-OAHLLOKOSA-N 0 1 268.364 2.727 20 30 CFEDMN CC(C)[C@H](N[C@H]1CC[C@@H](C#N)C1)c1nnc2ccccn21 ZINC000442774016 330782008 /nfs/dbraw/zinc/78/20/08/330782008.db2.gz YBTWIVZGJFDPOA-IPYPFGDCSA-N 0 1 283.379 2.708 20 30 CFEDMN C=C[C@@H]1OCCC[C@H]1NCc1nccn1-c1ccccc1 ZINC000449549656 330936040 /nfs/dbraw/zinc/93/60/40/330936040.db2.gz ZUHRZSHKHQIQGG-CVEARBPZSA-N 0 1 283.375 2.696 20 30 CFEDMN C=CCn1c(S[C@H](C)C(=O)C2CCCCC2)n[nH]c1=O ZINC000450870956 331003924 /nfs/dbraw/zinc/00/39/24/331003924.db2.gz MRJZKDBDTLXQQW-SNVBAGLBSA-N 0 1 295.408 2.800 20 30 CFEDMN C=C[C@@H]1CCCCN1Cc1ccc(C(=O)OCC)cn1 ZINC000450878168 331004327 /nfs/dbraw/zinc/00/43/27/331004327.db2.gz ITSNENJCFPAIBB-OAHLLOKOSA-N 0 1 274.364 2.799 20 30 CFEDMN C=CC(C)(C)C(=O)NCCN(CC)CCC(F)(F)F ZINC000451173724 331018766 /nfs/dbraw/zinc/01/87/66/331018766.db2.gz SZQKQPXINHXGMZ-UHFFFAOYSA-N 0 1 280.334 2.589 20 30 CFEDMN COC[C@H]1CCCCN1CC#Cc1ccc(F)cc1 ZINC000452035187 331051252 /nfs/dbraw/zinc/05/12/52/331051252.db2.gz GHBJPTPNOLYWSL-MRXNPFEDSA-N 0 1 261.340 2.678 20 30 CFEDMN C=CC[C@H](CO)N[C@H](C)c1ncc(-c2ccccc2)n1C ZINC000453188861 331099031 /nfs/dbraw/zinc/09/90/31/331099031.db2.gz AGGOWAAENGHMON-UKRRQHHQSA-N 0 1 285.391 2.675 20 30 CFEDMN Cc1ccc(C(=O)C(C#N)c2ccncn2)c(C(C)C)n1 ZINC000453757599 331137992 /nfs/dbraw/zinc/13/79/92/331137992.db2.gz WKNIQCDUEKYMHW-ZDUSSCGKSA-N 0 1 280.331 2.794 20 30 CFEDMN Cc1ccc(C(=O)[C@@H](C#N)c2ccncn2)c(C(C)C)n1 ZINC000453757599 331137993 /nfs/dbraw/zinc/13/79/93/331137993.db2.gz WKNIQCDUEKYMHW-ZDUSSCGKSA-N 0 1 280.331 2.794 20 30 CFEDMN Cn1c[nH+]cc1C([O-])=C(C#N)c1ncc(C(C)(C)C)s1 ZINC000453780937 331138190 /nfs/dbraw/zinc/13/81/90/331138190.db2.gz QHFMIBCTGQIPCR-SECBINFHSA-N 0 1 288.376 2.664 20 30 CFEDMN C=C(C)CCNC(=O)NC[C@H](c1ccc(F)cc1)N(C)C ZINC000454532052 331148176 /nfs/dbraw/zinc/14/81/76/331148176.db2.gz HFMRTVBGOMLQEW-OAHLLOKOSA-N 0 1 293.386 2.694 20 30 CFEDMN C=CCC1(CNC(=O)[C@@H]2CCCN2C2CC2)CCCC1 ZINC000456500119 331194349 /nfs/dbraw/zinc/19/43/49/331194349.db2.gz CMUBZRCGXYMIHR-HNNXBMFYSA-N 0 1 276.424 2.866 20 30 CFEDMN C=CCC1(C(=O)NCc2n[nH]c(C(C)(C)C)n2)CCCC1 ZINC000458028655 331241143 /nfs/dbraw/zinc/24/11/43/331241143.db2.gz ODWMDINZTBKFRU-UHFFFAOYSA-N 0 1 290.411 2.855 20 30 CFEDMN C=C(C)CCNC(=O)N[C@@H](C)c1n[nH]c([C@@H](C)CC)n1 ZINC000459003156 331265772 /nfs/dbraw/zinc/26/57/72/331265772.db2.gz ONYAFRDLQSMURW-QWRGUYRKSA-N 0 1 279.388 2.645 20 30 CFEDMN C=C[C@H]1CCCCN1Cc1cc(=O)[nH]c(C2CC2)n1 ZINC000459425828 331280910 /nfs/dbraw/zinc/28/09/10/331280910.db2.gz MFKVVGHLSPZTNL-ZDUSSCGKSA-N 0 1 259.353 2.600 20 30 CFEDMN N#C[C@@H]1CCC[C@H]1NCCc1ccc(F)c(F)c1 ZINC000459458635 331282415 /nfs/dbraw/zinc/28/24/15/331282415.db2.gz FOJGOSSFIODFAJ-SMDDNHRTSA-N 0 1 250.292 2.789 20 30 CFEDMN Cc1ccccc1NC(=O)CCN[C@@H]1CCC[C@@H]1C#N ZINC000459464485 331283078 /nfs/dbraw/zinc/28/30/78/331283078.db2.gz MJKIKPYQQWPMRQ-UKRRQHHQSA-N 0 1 271.364 2.606 20 30 CFEDMN CCOc1ccccc1OCCN[C@@H]1CCC[C@H]1C#N ZINC000459468123 331283144 /nfs/dbraw/zinc/28/31/44/331283144.db2.gz QURMIOKYZDXZHJ-UONOGXRCSA-N 0 1 274.364 2.746 20 30 CFEDMN N#C[C@H]1CCC[C@H]1NCCC(=O)Nc1cccc(Cl)c1 ZINC000459473953 331283617 /nfs/dbraw/zinc/28/36/17/331283617.db2.gz YEMSWYAJRDISQP-BXUZGUMPSA-N 0 1 291.782 2.950 20 30 CFEDMN C=CCN1CC[C@H](N2Cc3sccc3CC2(C)C)C1=O ZINC000459578512 331288992 /nfs/dbraw/zinc/28/89/92/331288992.db2.gz IJTMEMPTYDRWDX-ZDUSSCGKSA-N 0 1 290.432 2.672 20 30 CFEDMN COCC1(C)CN(Cc2cccc(OCCCC#N)c2)C1 ZINC000459621607 331290864 /nfs/dbraw/zinc/29/08/64/331290864.db2.gz KSUUPABOKURDKY-UHFFFAOYSA-N 0 1 288.391 2.837 20 30 CFEDMN Fc1ccc(C#CCN2CC3(CCC3)[C@H]3COC[C@@H]32)cc1 ZINC000459682335 331294138 /nfs/dbraw/zinc/29/41/38/331294138.db2.gz SNBJBBBHHZXGMR-IRXDYDNUSA-N 0 1 285.362 2.678 20 30 CFEDMN C=CCn1cccc1C(=O)Nc1cccc(-c2nnc[nH]2)c1 ZINC000488950352 332035001 /nfs/dbraw/zinc/03/50/01/332035001.db2.gz ZYDAICUUQKUDCX-UHFFFAOYSA-N 0 1 293.330 2.712 20 30 CFEDMN C=C[C@H]1CCCCN1CC(=O)N(C)Cc1ccc(F)cc1 ZINC000489472618 332055028 /nfs/dbraw/zinc/05/50/28/332055028.db2.gz HNTXYJSPHVGPDU-INIZCTEOSA-N 0 1 290.382 2.825 20 30 CFEDMN C#CCN(CC)Cc1cccc(C(=O)NCC(C)C)c1 ZINC000490741601 332111866 /nfs/dbraw/zinc/11/18/66/332111866.db2.gz UAHUJTKNLVRKNN-UHFFFAOYSA-N 0 1 272.392 2.528 20 30 CFEDMN C#CCN(Cc1cnc(N2CCCC2)nc1)C1CCCCC1 ZINC000490875405 332124112 /nfs/dbraw/zinc/12/41/12/332124112.db2.gz PYTSPZJVWHAGFU-UHFFFAOYSA-N 0 1 298.434 2.845 20 30 CFEDMN C#CCN1CCC(C(=O)N2CC[C@H](CC(C)(C)C)C2)CC1 ZINC000491256064 332175725 /nfs/dbraw/zinc/17/57/25/332175725.db2.gz ZKVKMADEDGKSNX-OAHLLOKOSA-N 0 1 290.451 2.616 20 30 CFEDMN C#CCN1CCC(C(=O)O[C@H](C)c2ccccc2C)CC1 ZINC000491406289 332206175 /nfs/dbraw/zinc/20/61/75/332206175.db2.gz NEYFQQZCXSHNAU-OAHLLOKOSA-N 0 1 285.387 2.944 20 30 CFEDMN C#CCn1ccc(CN(CC)CCCCOC(C)(C)C)n1 ZINC000491547017 332235720 /nfs/dbraw/zinc/23/57/20/332235720.db2.gz YBVFMCSUZDAJFK-UHFFFAOYSA-N 0 1 291.439 2.934 20 30 CFEDMN C#C[C@@H](CC)NCc1cc(OC)ccc1OC(F)F ZINC000491635411 332256547 /nfs/dbraw/zinc/25/65/47/332256547.db2.gz WNNIATWPJNLSIG-NSHDSACASA-N 0 1 269.291 2.798 20 30 CFEDMN C#C[C@H](C)N(C)Cc1cccc(C(=O)NCc2ccco2)c1 ZINC000491682999 332285556 /nfs/dbraw/zinc/28/55/56/332285556.db2.gz VVHCLRRIDDQCAV-AWEZNQCLSA-N 0 1 296.370 2.663 20 30 CFEDMN C#C[C@@H](C)N(C)Cc1cccc(C(=O)NCc2ccco2)c1 ZINC000491683000 332285612 /nfs/dbraw/zinc/28/56/12/332285612.db2.gz VVHCLRRIDDQCAV-CQSZACIVSA-N 0 1 296.370 2.663 20 30 CFEDMN C#CCN1CCC(C(=O)Nc2scnc2C(C)C)CC1 ZINC000491711366 332302879 /nfs/dbraw/zinc/30/28/79/332302879.db2.gz VHIMYXIXSZRJKY-UHFFFAOYSA-N 0 1 291.420 2.550 20 30 CFEDMN C#C[C@H](C)N(C)Cc1cn(C)nc1-c1ccc(F)cc1 ZINC000491777685 332342951 /nfs/dbraw/zinc/34/29/51/332342951.db2.gz DXQWTNWGSHBKHY-LBPRGKRZSA-N 0 1 271.339 2.680 20 30 CFEDMN C#C[C@H](C)[N@H+](C)CCC(=O)Nc1cc(Cl)ccc1OC ZINC000491813320 332365153 /nfs/dbraw/zinc/36/51/53/332365153.db2.gz AJDGYHZXAMSUNL-NSHDSACASA-N 0 1 294.782 2.631 20 30 CFEDMN CC(C)(C)OC(=O)N1CCC[C@@H]1CCCNCCC#N ZINC000496099985 332538613 /nfs/dbraw/zinc/53/86/13/332538613.db2.gz BQTDEISDOSGZGD-ZDUSSCGKSA-N 0 1 281.400 2.669 20 30 CFEDMN N#CCCN(CCCOCC(F)(F)F)CC1CC1 ZINC000174691423 333005726 /nfs/dbraw/zinc/00/57/26/333005726.db2.gz HSLCMJFJIAVEEY-UHFFFAOYSA-N 0 1 264.291 2.581 20 30 CFEDMN C#CCN1CCC(C(=O)N2CCCC[C@@H]2CCC)CC1 ZINC000183900671 333123353 /nfs/dbraw/zinc/12/33/53/333123353.db2.gz JCHNBMLSQPOPAX-INIZCTEOSA-N 0 1 276.424 2.513 20 30 CFEDMN C#CCN1CCC(C(=O)N2CCC(C)(C(C)C)CC2)CC1 ZINC000190349293 333206021 /nfs/dbraw/zinc/20/60/21/333206021.db2.gz LIXQVONKQPBCPM-UHFFFAOYSA-N 0 1 290.451 2.616 20 30 CFEDMN CCOC(=O)[C@@H](C)N(CCCC(C)(C)C#N)C1CC1 ZINC000190846328 333211699 /nfs/dbraw/zinc/21/16/99/333211699.db2.gz MBYKLBXAEJKBAK-GFCCVEGCSA-N 0 1 266.385 2.732 20 30 CFEDMN CC1CC(C#N)(C(=O)N(C)Cc2cc(C(C)(C)C)[nH]n2)C1 ZINC000521968360 333228709 /nfs/dbraw/zinc/22/87/09/333228709.db2.gz SVJKUZFYBMYUOL-UHFFFAOYSA-N 0 1 288.395 2.605 20 30 CFEDMN C=CCN(CCCC(=O)N(C)C)Cc1ccccc1F ZINC000521976383 333228936 /nfs/dbraw/zinc/22/89/36/333228936.db2.gz DNCLZBLIILJXAW-UHFFFAOYSA-N 0 1 278.371 2.682 20 30 CFEDMN COc1ccc(OCCN2CCC(C)(C#N)CC2)cc1 ZINC000227351755 333281286 /nfs/dbraw/zinc/28/12/86/333281286.db2.gz CZUDRVNOQWROCG-UHFFFAOYSA-N 0 1 274.364 2.700 20 30 CFEDMN CC[C@H](C#N)S(=O)(=O)Nc1cc(F)ccc1Cl ZINC000231820435 333330157 /nfs/dbraw/zinc/33/01/57/333330157.db2.gz UUWGVHAZGHKWAT-MRVPVSSYSA-N 0 1 276.720 2.523 20 30 CFEDMN N#C[C@H]1CC[C@@H](N2CCN(c3cccc4[nH]ccc43)CC2)C1 ZINC000528761150 333456073 /nfs/dbraw/zinc/45/60/73/333456073.db2.gz CWULVSJIZPULNI-LSDHHAIUSA-N 0 1 294.402 2.982 20 30 CFEDMN CC(C)(C#N)CCN1CCC([C@H](O)C(F)(F)F)CC1 ZINC000540664905 333741013 /nfs/dbraw/zinc/74/10/13/333741013.db2.gz ASOKXARKNQVCPA-NSHDSACASA-N 0 1 278.318 2.561 20 30 CFEDMN N#CCC1CCN(CC(=O)N(C2CC2)C2CCCC2)CC1 ZINC000541023332 333759741 /nfs/dbraw/zinc/75/97/41/333759741.db2.gz CLQTYUJLCWXXAP-UHFFFAOYSA-N 0 1 289.423 2.546 20 30 CFEDMN N#CC(C(=O)c1cc(C2CCCCC2)[nH]n1)c1ccncn1 ZINC000546153732 334016742 /nfs/dbraw/zinc/01/67/42/334016742.db2.gz TUKWWNCCTTZCDO-GFCCVEGCSA-N 0 1 295.346 2.737 20 30 CFEDMN CN1CCC(C#N)(NC(=O)c2cccc(C3CCC3)c2)CC1 ZINC000546613129 334040294 /nfs/dbraw/zinc/04/02/94/334040294.db2.gz FAJCNNRAPGLMQO-UHFFFAOYSA-N 0 1 297.402 2.672 20 30 CFEDMN CC[N@H+](CC#Cc1ccccc1Cl)CCC(=O)OC ZINC000135012165 334112187 /nfs/dbraw/zinc/11/21/87/334112187.db2.gz PTDSRNJCPSRBFN-UHFFFAOYSA-N 0 1 279.767 2.577 20 30 CFEDMN CCN(CC#Cc1ccccc1Cl)CCC(=O)OC ZINC000135012165 334112188 /nfs/dbraw/zinc/11/21/88/334112188.db2.gz PTDSRNJCPSRBFN-UHFFFAOYSA-N 0 1 279.767 2.577 20 30 CFEDMN CSCCN(C)CC#Cc1ccccc1Cl ZINC000135156688 334118185 /nfs/dbraw/zinc/11/81/85/334118185.db2.gz ITXWZIBMIVBKQK-UHFFFAOYSA-N 0 1 253.798 2.986 20 30 CFEDMN C=CC[C@@H](C)NC(=O)NCc1ccc(CN(C)C)c(F)c1 ZINC000135445393 334130111 /nfs/dbraw/zinc/13/01/11/334130111.db2.gz PPOMNEDVTFFOQB-GFCCVEGCSA-N 0 1 293.386 2.651 20 30 CFEDMN Cc1nnc(NC(=O)[C@H]2SCCc3ccccc32)[nH]1 ZINC000080023727 334165339 /nfs/dbraw/zinc/16/53/39/334165339.db2.gz GFDTYNFLTUKKMO-NSHDSACASA-N 0 1 274.349 2.732 20 30 CFEDMN Cc1n[nH]c(NC(=O)[C@H]2SCCc3ccccc32)n1 ZINC000080023727 334165340 /nfs/dbraw/zinc/16/53/40/334165340.db2.gz GFDTYNFLTUKKMO-NSHDSACASA-N 0 1 274.349 2.732 20 30 CFEDMN CC(C)(CNC[C@@H](C#N)CCC#N)c1ccc2c(c1)OCO2 ZINC000548788333 334173910 /nfs/dbraw/zinc/17/39/10/334173910.db2.gz JMIHMYSZYITKML-CYBMUJFWSA-N 0 1 299.374 2.726 20 30 CFEDMN N#CCCN(CCC(=O)NCC1CCCCC1)CC1CC1 ZINC000081044750 334177235 /nfs/dbraw/zinc/17/72/35/334177235.db2.gz GPURUJGUYIBKDU-UHFFFAOYSA-N 0 1 291.439 2.699 20 30 CFEDMN N#CCC[C@@H](C#N)CNCC1(c2ccc(F)cc2)CC1 ZINC000548925338 334180496 /nfs/dbraw/zinc/18/04/96/334180496.db2.gz CQWNQLPBWYUNMH-ZDUSSCGKSA-N 0 1 271.339 2.890 20 30 CFEDMN Cc1oc(C2CC2)nc1C(=O)C(C#N)c1cc(C)nc(C)n1 ZINC000552243736 334307708 /nfs/dbraw/zinc/30/77/08/334307708.db2.gz IQMKSBMVZOYNGR-GFCCVEGCSA-N 0 1 296.330 2.757 20 30 CFEDMN C=CCCCN(C)[C@H]1CCN(c2c(F)cccc2F)C1=O ZINC000088523489 334339366 /nfs/dbraw/zinc/33/93/66/334339366.db2.gz GEJDTVIWGHUDMN-AWEZNQCLSA-N 0 1 294.345 2.968 20 30 CFEDMN C=CCCC[N@H+](CC(=O)[O-])Cc1ccc(F)c(F)c1 ZINC000572533154 334354585 /nfs/dbraw/zinc/35/45/85/334354585.db2.gz UYHVMVFZUAFIKB-UHFFFAOYSA-N 0 1 269.291 2.818 20 30 CFEDMN C[C@H]1CN2CCCC[C@H]2CN1C(=O)C1(C#N)CCCCC1 ZINC000252661434 334384242 /nfs/dbraw/zinc/38/42/42/334384242.db2.gz KFTHWHDSDRAINY-GJZGRUSLSA-N 0 1 289.423 2.546 20 30 CFEDMN N#CCc1ccc(CNCc2cnn(CC(F)F)c2)cc1 ZINC000564960393 334530462 /nfs/dbraw/zinc/53/04/62/334530462.db2.gz DAWQGNUBDPQEFL-UHFFFAOYSA-N 0 1 290.317 2.504 20 30 CFEDMN C=CCCCCN1CCN(c2ncccc2F)CC1 ZINC000577586454 335373937 /nfs/dbraw/zinc/37/39/37/335373937.db2.gz MEEMMKLTBKVQBK-UHFFFAOYSA-N 0 1 263.360 2.699 20 30 CFEDMN C=CCCCCCNC(=O)N[C@@H](C)Cc1cc(C)[nH]n1 ZINC000581437941 336078114 /nfs/dbraw/zinc/07/81/14/336078114.db2.gz BPIOZZJOBZDQNG-LBPRGKRZSA-N 0 1 278.400 2.695 20 30 CFEDMN C=C(C)CN1CC[C@@H]1CN(C)C(=O)[C@@H]1C[C@@H]2C=C[C@H]1CC2 ZINC001085607119 782112215 /nfs/dbraw/zinc/11/22/15/782112215.db2.gz HQZMWQTUVWWLHH-YYIAUSFCSA-N 0 1 288.435 2.698 20 30 CFEDMN C#CCCN1CC[C@@H]1CN(C)C(=O)C1CCC2(CC2)CC1 ZINC001085727988 782145012 /nfs/dbraw/zinc/14/50/12/782145012.db2.gz MJMSKGBLWQRIHO-MRXNPFEDSA-N 0 1 288.435 2.513 20 30 CFEDMN C=CCNC(=O)c1cccnc1-c1ccc(O)c(F)c1F ZINC001243339575 782143843 /nfs/dbraw/zinc/14/38/43/782143843.db2.gz LPUPZRNNUJAXRP-UHFFFAOYSA-N 0 1 290.269 2.648 20 30 CFEDMN C=CCNC(=O)c1ccc(-c2ccc(O)c(F)c2F)nc1 ZINC001243340081 782144703 /nfs/dbraw/zinc/14/47/03/782144703.db2.gz QFXWXNCRXPMUAX-UHFFFAOYSA-N 0 1 290.269 2.648 20 30 CFEDMN C=C(C)CN1CC[C@H]1CN(C)C(=O)c1nccc2occc21 ZINC001085737430 782146454 /nfs/dbraw/zinc/14/64/54/782146454.db2.gz NFDPABMWGIJLQH-ZDUSSCGKSA-N 0 1 299.374 2.550 20 30 CFEDMN C=CCC[N@@H+]1CC[C@@H]1CN(C)C(=O)c1cc(F)ccc1C ZINC001085747975 782150216 /nfs/dbraw/zinc/15/02/16/782150216.db2.gz UZNLQPLCGVBMBP-OAHLLOKOSA-N 0 1 290.382 2.857 20 30 CFEDMN C[C@@H]1CC[C@H](C)N1CC(=O)Nc1c[nH]nc1-c1ccccn1 ZINC000329155929 534227621 /nfs/dbraw/zinc/22/76/21/534227621.db2.gz BUUCWYKBHRDVJF-TXEJJXNPSA-N 0 1 299.378 2.933 20 30 CFEDMN Cc1noc(C2CC2)c1NC(=O)c1ncc(C)cc1O ZINC000330289230 534386547 /nfs/dbraw/zinc/38/65/47/534386547.db2.gz BWJDBWHPDCOVDZ-UHFFFAOYSA-N 0 1 273.292 2.906 20 30 CFEDMN CCC1(CO)CCN(Cc2cc(C#N)ccc2OC)CC1 ZINC000305745879 519844375 /nfs/dbraw/zinc/84/43/75/519844375.db2.gz PJLFIFVCQVMQKS-UHFFFAOYSA-N 0 1 288.391 2.551 20 30 CFEDMN CCN(CC(=O)Nc1ccc(C#N)c(Cl)c1)C(C)C ZINC000195527336 520356529 /nfs/dbraw/zinc/35/65/29/520356529.db2.gz HRLPBMABQRJKSK-UHFFFAOYSA-N 0 1 279.771 2.880 20 30 CFEDMN C=CCCC(=O)NC[C@H](c1ccco1)N(CC)CC ZINC000263854101 534615766 /nfs/dbraw/zinc/61/57/66/534615766.db2.gz VUVZJHRSBOZIJK-CYBMUJFWSA-N 0 1 264.369 2.745 20 30 CFEDMN CN(CCOCc1ccccc1)Cc1cc(C#N)n(C)c1 ZINC000191441868 522902401 /nfs/dbraw/zinc/90/24/01/522902401.db2.gz HDJIBFOEXWISMQ-UHFFFAOYSA-N 0 1 283.375 2.545 20 30 CFEDMN CC[C@@H]1CN(CCCOc2cccc(C#N)c2)C[C@@H](C)O1 ZINC000246133378 523438524 /nfs/dbraw/zinc/43/85/24/523438524.db2.gz ZTMLHFHHSVLZGL-GDBMZVCRSA-N 0 1 288.391 2.826 20 30 CFEDMN CC[C@@H]1CN(Cc2cc(C#N)ccc2OC)CCCO1 ZINC000312173294 523448649 /nfs/dbraw/zinc/44/86/49/523448649.db2.gz LRZMRRJLJUMQQT-OAHLLOKOSA-N 0 1 274.364 2.568 20 30 CFEDMN CCn1cncc1CN[C@@H](C)c1ccc(C#N)cc1 ZINC000090170775 523575091 /nfs/dbraw/zinc/57/50/91/523575091.db2.gz HNQCQBLGAGVTJY-LBPRGKRZSA-N 0 1 254.337 2.625 20 30 CFEDMN COc1ccccc1[C@H](C)NCc1cc(C#N)n(C)c1 ZINC000232313844 524778884 /nfs/dbraw/zinc/77/88/84/524778884.db2.gz ICEYVQMACAXBGH-LBPRGKRZSA-N 0 1 269.348 2.756 20 30 CFEDMN C[C@@H](CO)N(Cc1ccc(F)cc1C#N)CC1CCC1 ZINC000361485922 524787461 /nfs/dbraw/zinc/78/74/61/524787461.db2.gz PNIDOIJMVKWUSC-LBPRGKRZSA-N 0 1 276.355 2.680 20 30 CFEDMN COc1ncc(CN[C@H](C)c2ccc(C#N)cc2)c(C)n1 ZINC000337182808 525015237 /nfs/dbraw/zinc/01/52/37/525015237.db2.gz NILFEPMIUXFLOA-LLVKDONJSA-N 0 1 282.347 2.516 20 30 CFEDMN C[C@H](NCc1ccc(C#N)o1)c1ccc2n[nH]cc2c1 ZINC000353103211 525437514 /nfs/dbraw/zinc/43/75/14/525437514.db2.gz QYVCANVMALGCLG-JTQLQIEISA-N 0 1 266.304 2.878 20 30 CFEDMN Cc1n[nH]c(C(F)F)c1NC(=O)c1ccc(F)c(C#N)c1 ZINC000336138592 525473058 /nfs/dbraw/zinc/47/30/58/525473058.db2.gz JVSFBEMDQHRFGU-UHFFFAOYSA-N 0 1 294.236 2.919 20 30 CFEDMN C[C@@H](N[C@H](CO)c1ccccc1)c1cccc(C#N)c1 ZINC000063000377 525669165 /nfs/dbraw/zinc/66/91/65/525669165.db2.gz AXJVOXRBGIVAGR-CXAGYDPISA-N 0 1 266.344 2.942 20 30 CFEDMN C[C@@H](O)C[C@H]1CCCCN1Cc1cccc(C#N)c1F ZINC000222571854 525838640 /nfs/dbraw/zinc/83/86/40/525838640.db2.gz LSCPCDHYSZRJDV-IUODEOHRSA-N 0 1 276.355 2.823 20 30 CFEDMN CS[C@@H]1CCN(Cc2ccc(C#N)c(F)c2)C1 ZINC000336261580 525841830 /nfs/dbraw/zinc/84/18/30/525841830.db2.gz JOEWXROPWHFTGI-GFCCVEGCSA-N 0 1 250.342 2.635 20 30 CFEDMN N#Cc1cc(CN2CCCO[C@@H]3CCC[C@@H]32)ccc1F ZINC000374547166 526548112 /nfs/dbraw/zinc/54/81/12/526548112.db2.gz DMJUEVMGDPMZMP-JKSUJKDBSA-N 0 1 274.339 2.841 20 30 CFEDMN N#Cc1cc(CN[C@]2(CO)CCc3ccccc32)ccc1F ZINC000305697693 526551179 /nfs/dbraw/zinc/55/11/79/526551179.db2.gz ARGFEQQYBXWOQY-SFHVURJKSA-N 0 1 296.345 2.621 20 30 CFEDMN N#Cc1ccc(CN2CCCC[C@H]2CO)c(Cl)c1 ZINC000162873796 526610668 /nfs/dbraw/zinc/61/06/68/526610668.db2.gz HGEDMAIIJXDXOI-ZDUSSCGKSA-N 0 1 264.756 2.558 20 30 CFEDMN N#Cc1ccc(CNCc2ccc3c(c2)OCO3)c(F)c1 ZINC000060393760 526622539 /nfs/dbraw/zinc/62/25/39/526622539.db2.gz RIVCCGLKVAUZBB-UHFFFAOYSA-N 0 1 284.290 2.716 20 30 CFEDMN N#Cc1ccc(OCCCN2CCO[C@@H]3CCC[C@H]32)cc1 ZINC000226925058 526673528 /nfs/dbraw/zinc/67/35/28/526673528.db2.gz GPTFZHWPACZEKW-IAGOWNOFSA-N 0 1 286.375 2.580 20 30 CFEDMN C=CCOCCCN(C)CC(=O)Nc1cccc(Cl)c1 ZINC000347965622 526746052 /nfs/dbraw/zinc/74/60/52/526746052.db2.gz DQFLBJFJWRQOBM-UHFFFAOYSA-N 0 1 296.798 2.803 20 30 CFEDMN N#Cc1cccnc1NC[C@@H](c1ccco1)N1CCCC1 ZINC000068838643 526754963 /nfs/dbraw/zinc/75/49/63/526754963.db2.gz TZTPVBYIMICQLS-AWEZNQCLSA-N 0 1 282.347 2.795 20 30 CFEDMN C=CCOCCCN[C@@H](C)c1c(F)cncc1F ZINC000353232956 526760633 /nfs/dbraw/zinc/76/06/33/526760633.db2.gz PHAOOJBBNWABMP-JTQLQIEISA-N 0 1 256.296 2.603 20 30 CFEDMN C=CCOc1ccccc1CN1CCC[C@@H](n2cncn2)C1 ZINC000353321596 526931180 /nfs/dbraw/zinc/93/11/80/526931180.db2.gz RIMAPCLWXRPBGS-MRXNPFEDSA-N 0 1 298.390 2.680 20 30 CFEDMN C=CC1CCN(CC(=O)N2c3ccccc3C[C@@H]2C)CC1 ZINC000348163013 526978635 /nfs/dbraw/zinc/97/86/35/526978635.db2.gz AWXPVABPJWPLDS-AWEZNQCLSA-N 0 1 284.403 2.862 20 30 CFEDMN C#CCOc1ccc(CNCc2scnc2C)cc1 ZINC000113337617 527104553 /nfs/dbraw/zinc/10/45/53/527104553.db2.gz AHPPUUFDFBKUHV-UHFFFAOYSA-N 0 1 272.373 2.753 20 30 CFEDMN Cn1cc(CN2CCC(F)(c3cccnc3)CC2)cc1C#N ZINC000334956817 527197233 /nfs/dbraw/zinc/19/72/33/527197233.db2.gz KKRRPIBDRCAFRB-UHFFFAOYSA-N 0 1 298.365 2.753 20 30 CFEDMN C=C[C@@H](CO)NCc1ccc(-c2ccncc2)cc1F ZINC000352452336 527441316 /nfs/dbraw/zinc/44/13/16/527441316.db2.gz DYROPQWCALQNFS-HNNXBMFYSA-N 0 1 272.323 2.524 20 30 CFEDMN C=CCC[C@@H](NCc1cnc(C)[nH]c1=O)c1ccco1 ZINC000353674246 527450204 /nfs/dbraw/zinc/45/02/04/527450204.db2.gz TZSBOQXYSLQVCM-CYBMUJFWSA-N 0 1 273.336 2.881 20 30 CFEDMN C=C(C)CN1CC[C@@H]1CN(C)C(=O)c1ccc2[nH]ccc2c1 ZINC001085790389 782165993 /nfs/dbraw/zinc/16/59/93/782165993.db2.gz IYAKRHFBMQVHHL-MRXNPFEDSA-N 0 1 297.402 2.890 20 30 CFEDMN CC(C)C[C@@H]1CCCN1C([O-])=[NH+][C@@H]1CCn2ccnc2C1 ZINC000330192375 528376863 /nfs/dbraw/zinc/37/68/63/528376863.db2.gz NSJVGDLUNPQXDP-KGLIPLIRSA-N 0 1 290.411 2.622 20 30 CFEDMN CC(C)[C@@](C)(C#N)NC(=O)[C@@H](C)N1CCCC2(CCC2)C1 ZINC000348173645 528853882 /nfs/dbraw/zinc/85/38/82/528853882.db2.gz ALZZYCSIESNGPT-GDBMZVCRSA-N 0 1 291.439 2.695 20 30 CFEDMN COc1cccc(CC(=O)Nc2nc(-c3ccco3)n[nH]2)c1 ZINC000078868646 545496610 /nfs/dbraw/zinc/49/66/10/545496610.db2.gz ZWDAZUNXIGPSMJ-UHFFFAOYSA-N 0 1 298.302 2.904 20 30 CFEDMN N#Cc1ccc(O)c(NC(=O)C[C@@H]2CC[C@H](C3CC3)O2)c1 ZINC000935106368 649875853 /nfs/dbraw/zinc/87/58/53/649875853.db2.gz DCJGHOYIEZMFTO-SWLSCSKDSA-N 0 1 286.331 2.550 20 30 CFEDMN C=C[C@@H](CC)CC(=O)N[C@@H](C)c1n[nH]c(C(C)C)n1 ZINC000935147825 649880227 /nfs/dbraw/zinc/88/02/27/649880227.db2.gz VHOZCOSBKLHGRE-QWRGUYRKSA-N 0 1 264.373 2.708 20 30 CFEDMN CC(C)[N@@H+](CC(=O)[O-])Cc1cc(Cl)ccc1OCC#N ZINC000736454907 574055428 /nfs/dbraw/zinc/05/54/28/574055428.db2.gz GIBIYSOLNQAYGZ-UHFFFAOYSA-N 0 1 296.754 2.537 20 30 CFEDMN Fc1ccc(CC=CN=NC2=N[C@@H]3CCCC[C@H]3N2)cc1 ZINC000753935677 574056157 /nfs/dbraw/zinc/05/61/57/574056157.db2.gz PFPJTFJKVCXBMY-FUFLJUGCSA-N 0 1 286.354 2.685 20 30 CFEDMN CC(=NNC1=N[C@@H]2CCCC[C@H]2N1)c1cc(F)ccc1F ZINC000753936448 574056559 /nfs/dbraw/zinc/05/65/59/574056559.db2.gz UMRNROBVTHNGFL-ZIAGYGMSSA-N 0 1 292.333 2.549 20 30 CFEDMN Cc1cc(C)c(C=NNC2=N[C@H]3CCCC[C@@H]3N2)cc1C ZINC000753941632 574057319 /nfs/dbraw/zinc/05/73/19/574057319.db2.gz ZSSBASHZOJFGLA-HOTGVXAUSA-N 0 1 284.407 2.806 20 30 CFEDMN C[C@H]1CC(N=Nc2cccc([N+](=O)[O-])c2)CN1C1CC1 ZINC000753955637 574059052 /nfs/dbraw/zinc/05/90/52/574059052.db2.gz RRMWTSVKOWQBHT-JTQLQIEISA-N 0 1 274.324 2.619 20 30 CFEDMN C[C@@H](CC#N)[N@@H+](C)Cc1c(O)c(C(=O)[O-])cc2ccccc21 ZINC000736540004 574059094 /nfs/dbraw/zinc/05/90/94/574059094.db2.gz BFHNVCLCEPSWEF-NSHDSACASA-N 0 1 298.342 2.978 20 30 CFEDMN C[C@H](NCC1(C)OCCCO1)c1ccc(C#N)cc1F ZINC000754124075 574075655 /nfs/dbraw/zinc/07/56/55/574075655.db2.gz SQMBGJRRUFGWGD-NSHDSACASA-N 0 1 278.327 2.501 20 30 CFEDMN COC(=O)[C@H](C)/N=C\c1cc(Cl)cc(Cl)c1O ZINC000730546280 574087021 /nfs/dbraw/zinc/08/70/21/574087021.db2.gz BNFZTKJOSZTKDG-DGKIVPNZSA-N 0 1 276.119 2.679 20 30 CFEDMN C=C(C)C[N@H+]1CCCC[C@H]1[C@@H]1CCCN1C(=O)[O-] ZINC000738485745 574089575 /nfs/dbraw/zinc/08/95/75/574089575.db2.gz QFJFPWWFFCBTHA-STQMWFEESA-N 0 1 252.358 2.559 20 30 CFEDMN C#CCOc1cccc(NC(=O)c2cccc3cn[nH]c32)c1 ZINC000731011542 574106856 /nfs/dbraw/zinc/10/68/56/574106856.db2.gz UDHWFOUSDUYUHM-UHFFFAOYSA-N 0 1 291.310 2.827 20 30 CFEDMN Cc1ccc(C=N[N-]c2[nH+]c3ccccc3n2C)o1 ZINC000728775796 574108071 /nfs/dbraw/zinc/10/80/71/574108071.db2.gz CWXCTNQZUUHSAT-UHFFFAOYSA-N 0 1 254.293 2.921 20 30 CFEDMN CC[N@@H+](Cc1ccc(F)cc1C(=O)[O-])C[C@@H](C)C#N ZINC000737106999 574112875 /nfs/dbraw/zinc/11/28/75/574112875.db2.gz ZYVLHBWVAHDZFL-JTQLQIEISA-N 0 1 264.300 2.505 20 30 CFEDMN CC[N@H+](Cc1ccc(F)cc1C(=O)[O-])C[C@@H](C)C#N ZINC000737106999 574112879 /nfs/dbraw/zinc/11/28/79/574112879.db2.gz ZYVLHBWVAHDZFL-JTQLQIEISA-N 0 1 264.300 2.505 20 30 CFEDMN CN(Cc1ccoc1)Cc1ccc(OCC#N)cc1 ZINC000731212074 574113154 /nfs/dbraw/zinc/11/31/54/574113154.db2.gz QWALCIMKOOYHEX-UHFFFAOYSA-N 0 1 256.305 2.814 20 30 CFEDMN N#CCOc1cccc(C=NNc2ccc(F)cn2)c1 ZINC000731319597 574116535 /nfs/dbraw/zinc/11/65/35/574116535.db2.gz WRRFZVNDYBULQC-UHFFFAOYSA-N 0 1 270.267 2.569 20 30 CFEDMN Fc1ccc(N=NC2CCN(Cc3ccccc3)C2)nc1 ZINC000731318747 574116801 /nfs/dbraw/zinc/11/68/01/574116801.db2.gz ODLIVLGCKXBBAP-UHFFFAOYSA-N 0 1 284.338 2.895 20 30 CFEDMN Cc1ccc(-c2n[nH]cc2CN=Nc2ccc(F)cn2)o1 ZINC000731319829 574116820 /nfs/dbraw/zinc/11/68/20/574116820.db2.gz YVAHZBXTQMYCMG-UHFFFAOYSA-N 0 1 285.282 2.958 20 30 CFEDMN Cc1cc(N=NCc2cc(F)c(F)c(F)c2)ncn1 ZINC000731934775 574135315 /nfs/dbraw/zinc/13/53/15/574135315.db2.gz IANYRAZMYGSIQK-UHFFFAOYSA-N 0 1 266.226 2.648 20 30 CFEDMN CCCCCC[C@@](C)(NC(=O)C(C)C#N)C(=O)OCC ZINC000746228691 574140851 /nfs/dbraw/zinc/14/08/51/574140851.db2.gz DHTAKWNCKKVZAG-SWLSCSKDSA-N 0 1 282.384 2.554 20 30 CFEDMN C#CCOc1ccc(NC(=O)CN2[C@@H](C)CC[C@@H]2C)cc1 ZINC000746237525 574141530 /nfs/dbraw/zinc/14/15/30/574141530.db2.gz NYUDFXKHSFWIHC-KBPBESRZSA-N 0 1 286.375 2.510 20 30 CFEDMN C[N@@H+](Cc1ccc(C#N)cc1)[C@H](C(=O)[O-])c1ccc(F)cc1 ZINC000737452029 574142304 /nfs/dbraw/zinc/14/23/04/574142304.db2.gz VXUXAZSUMOIWHQ-INIZCTEOSA-N 0 1 298.317 2.955 20 30 CFEDMN C[C@H](NC(=O)C(C)(C)C#N)c1nc2ccc(Cl)cc2[nH]1 ZINC000732541714 574160247 /nfs/dbraw/zinc/16/02/47/574160247.db2.gz MXAIZHAOPKRVLK-QMMMGPOBSA-N 0 1 290.754 2.943 20 30 CFEDMN Cc1cc(=O)nc(NN=CCCCOc2ccccc2)[nH]1 ZINC000755455606 574163174 /nfs/dbraw/zinc/16/31/74/574163174.db2.gz PBCBOICXPPGSRE-UHFFFAOYSA-N 0 1 286.335 2.748 20 30 CFEDMN CCn1nc(C)c(C=NNc2nc3ccccc3n2C)c1C ZINC000755649032 574174800 /nfs/dbraw/zinc/17/48/00/574174800.db2.gz UBYGZICIGPRBKA-UHFFFAOYSA-N 0 1 296.378 2.853 20 30 CFEDMN Cc1ccc(C[NH2+][C@@H](C(=O)[O-])c2ccc(C#N)cc2)s1 ZINC000738601377 574175148 /nfs/dbraw/zinc/17/51/48/574175148.db2.gz CWBKDGJRKZPCSU-CQSZACIVSA-N 0 1 286.356 2.844 20 30 CFEDMN Cc1ccc([N-]N=Cc2n[nH]nc2-c2ccccc2)[nH+]c1 ZINC000755688962 574178025 /nfs/dbraw/zinc/17/80/25/574178025.db2.gz HCOJBLUZLLZSGX-UHFFFAOYSA-N 0 1 278.319 2.621 20 30 CFEDMN Cc1ccc(N=NCc2cnc3cccc(C)n23)nc1 ZINC000755688516 574178043 /nfs/dbraw/zinc/17/80/43/574178043.db2.gz AWMLHZKCEQRVLO-UHFFFAOYSA-N 0 1 265.320 2.792 20 30 CFEDMN Cn1cc(CN=Nc2c(Cl)cccc2Cl)nn1 ZINC000755772340 574186876 /nfs/dbraw/zinc/18/68/76/574186876.db2.gz BINWXWVRIRLFSZ-UHFFFAOYSA-N 0 1 270.123 2.568 20 30 CFEDMN CN(CCC#N)c1ccc(C=NO[C@@H]2CCCCO2)cc1 ZINC000755817604 574189535 /nfs/dbraw/zinc/18/95/35/574189535.db2.gz MYYMFPMOJXHBMK-MRXNPFEDSA-N 0 1 287.363 2.914 20 30 CFEDMN CC(C)(C)CCN1CCN(C(=O)C#Cc2ccccc2)CC1 ZINC000747368344 574192862 /nfs/dbraw/zinc/19/28/62/574192862.db2.gz RUNATMDRWUQGCH-UHFFFAOYSA-N 0 1 298.430 2.619 20 30 CFEDMN CC(=NNCCN1CCCCC1)c1cc(F)cc(F)c1 ZINC000755891140 574194953 /nfs/dbraw/zinc/19/49/53/574194953.db2.gz WTOJKTPRNVSKBG-UHFFFAOYSA-N 0 1 281.350 2.764 20 30 CFEDMN CC(=NNc1cc(C)ncn1)c1cc(F)cc(F)c1 ZINC000755894200 574195054 /nfs/dbraw/zinc/19/50/54/574195054.db2.gz WMINUAMXDDTTQT-UHFFFAOYSA-N 0 1 262.263 2.899 20 30 CFEDMN COc1cc(C=NNc2cc(C)ccn2)ccc1O ZINC000755901149 574195610 /nfs/dbraw/zinc/19/56/10/574195610.db2.gz CGWBFRICTKCKNK-UHFFFAOYSA-N 0 1 257.293 2.550 20 30 CFEDMN COc1ccc(CN=Nc2cc(C)ccn2)c(O)c1 ZINC000755901525 574195715 /nfs/dbraw/zinc/19/57/15/574195715.db2.gz WVFLTDDCFVXTOZ-UHFFFAOYSA-N 0 1 257.293 2.550 20 30 CFEDMN N#CC(C(=O)Nc1ccccc1)C(=O)[C@H]1CC12CCCC2 ZINC000747477514 574197267 /nfs/dbraw/zinc/19/72/67/574197267.db2.gz AYHXWMVBCRTOHL-ZIAGYGMSSA-N 0 1 282.343 2.914 20 30 CFEDMN N#CC(C(=O)NCc1ccccc1)C(=O)[C@H]1CC12CCCC2 ZINC000747480035 574197278 /nfs/dbraw/zinc/19/72/78/574197278.db2.gz QJDNBVPLNRMHGI-HUUCEWRRSA-N 0 1 296.370 2.592 20 30 CFEDMN C[C@H](c1ccc(C#N)cc1)[N@H+]1CC[C@H](NC(=O)[O-])[C@H](C)C1 ZINC000739171574 574200064 /nfs/dbraw/zinc/20/00/64/574200064.db2.gz CKIBAADWKSFOHG-JMSVASOKSA-N 0 1 287.363 2.597 20 30 CFEDMN N#CC1CCC(COC(=O)[C@@H]2CCCc3[nH]ncc32)CC1 ZINC000755965929 574200853 /nfs/dbraw/zinc/20/08/53/574200853.db2.gz MSMJYKYHHYBREG-WXRRBKDZSA-N 0 1 287.363 2.703 20 30 CFEDMN CC(=NNc1cc(F)c(F)c(F)c1)c1csc(N)n1 ZINC000747642404 574204752 /nfs/dbraw/zinc/20/47/52/574204752.db2.gz OOIMVJRHSXOCAU-UHFFFAOYSA-N 0 1 286.282 2.979 20 30 CFEDMN CCC[N@@H+](Cc1ccccc1C#N)[C@H]1CCN(C(=O)[O-])C1 ZINC000739358243 574209916 /nfs/dbraw/zinc/20/99/16/574209916.db2.gz AGQVONHAVDTNNZ-HNNXBMFYSA-N 0 1 287.363 2.523 20 30 CFEDMN CC(=NN=c1cc[nH]c(N(C)C)n1)c1ccccc1C ZINC000739418262 574212816 /nfs/dbraw/zinc/21/28/16/574212816.db2.gz LUCJXZCVHHMYPK-UHFFFAOYSA-N 0 1 269.352 2.687 20 30 CFEDMN Oc1ccc(C=NNc2cccc(C(F)(F)F)n2)cc1O ZINC000739422075 574213277 /nfs/dbraw/zinc/21/32/77/574213277.db2.gz RVALARXKUUJCEU-UHFFFAOYSA-N 0 1 297.236 2.958 20 30 CFEDMN C=CCN(CC=C)C(=O)[C@H](C)N1CCc2c(C)cccc2C1 ZINC000729479648 574218788 /nfs/dbraw/zinc/21/87/88/574218788.db2.gz QOTTXXMLBXMRMU-INIZCTEOSA-N 0 1 298.430 2.942 20 30 CFEDMN C[C@@H](C#N)Oc1ccc(CNCc2cccc(F)n2)cc1 ZINC000747936596 574220701 /nfs/dbraw/zinc/22/07/01/574220701.db2.gz VOSQDRSCBKUHKB-LBPRGKRZSA-N 0 1 285.322 2.801 20 30 CFEDMN CN(CCC#N)c1ccc(CNCc2cccc(F)n2)cc1 ZINC000747937557 574220750 /nfs/dbraw/zinc/22/07/50/574220750.db2.gz IHCUYGCEOIHZJR-UHFFFAOYSA-N 0 1 298.365 2.860 20 30 CFEDMN CC(C)=CCCC(C)=CCN=Nc1nccn(C)c1=O ZINC000748079281 574227756 /nfs/dbraw/zinc/22/77/56/574227756.db2.gz LCTYKECITQSJAB-LJZDZPLASA-N 0 1 274.368 2.871 20 30 CFEDMN Cc1ncsc1CCN(CCC#N)CC(C)C ZINC000739913895 574229188 /nfs/dbraw/zinc/22/91/88/574229188.db2.gz CEVMUAAEEMQWEH-UHFFFAOYSA-N 0 1 251.399 2.866 20 30 CFEDMN C#CCN1CCC[C@@H]1COC(=O)C(C)(C)c1ccc(C)cc1 ZINC000729811835 574233184 /nfs/dbraw/zinc/23/31/84/574233184.db2.gz DJJZCUFSFCDCEF-QGZVFWFLSA-N 0 1 299.414 2.913 20 30 CFEDMN C#CCN1CCC[C@@H]1COC(=O)C[C@@H]1CCc2ccccc21 ZINC000756545761 574245716 /nfs/dbraw/zinc/24/57/16/574245716.db2.gz VGTMLOUNYSSUNA-DLBZAZTESA-N 0 1 297.398 2.747 20 30 CFEDMN C#CCN1CCC[C@@H]1COC(=O)[C@@H](C)c1ccccc1F ZINC000756550153 574246426 /nfs/dbraw/zinc/24/64/26/574246426.db2.gz CJLPLGWTYPCVDP-UONOGXRCSA-N 0 1 289.350 2.570 20 30 CFEDMN CC(=NNc1ccncc1Cl)c1ccc(O)cc1 ZINC000756838208 574266547 /nfs/dbraw/zinc/26/65/47/574266547.db2.gz KIEGALZEVYNHGV-UHFFFAOYSA-N 0 1 261.712 2.699 20 30 CFEDMN C#CCN(CC(=O)NCCC1=CCCCC1)C1CCCC1 ZINC000756912340 574272749 /nfs/dbraw/zinc/27/27/49/574272749.db2.gz RNYZIIAIKFXYGF-UHFFFAOYSA-N 0 1 288.435 2.871 20 30 CFEDMN CC(C)CCCCCC(=O)C(C#N)C(=O)NC(C)C ZINC000749025119 574277320 /nfs/dbraw/zinc/27/73/20/574277320.db2.gz AUSXQCSXDICKBL-ZDUSSCGKSA-N 0 1 266.385 2.826 20 30 CFEDMN C[C@H](C(=O)OCc1ccc(C#N)cc1)N1[C@H](C)CC[C@@H]1C ZINC000741015905 574277865 /nfs/dbraw/zinc/27/78/65/574277865.db2.gz FGMISYDJYJPKTJ-HZSPNIEDSA-N 0 1 286.375 2.863 20 30 CFEDMN CC(C)[C@@H](C(=O)OCc1cccc(C#N)c1)N1CCCC1 ZINC000741013413 574277869 /nfs/dbraw/zinc/27/78/69/574277869.db2.gz JWLAZNNFWTUBMD-INIZCTEOSA-N 0 1 286.375 2.722 20 30 CFEDMN C[C@H](C(=O)OCc1cccc(C#N)c1)N1[C@H](C)CC[C@@H]1C ZINC000741015725 574277915 /nfs/dbraw/zinc/27/79/15/574277915.db2.gz DMSFQWGWXYAQAR-HZSPNIEDSA-N 0 1 286.375 2.863 20 30 CFEDMN CC[C@H](C(=O)OCc1cccc(C#N)c1)N(CC)CC ZINC000741032568 574278992 /nfs/dbraw/zinc/27/89/92/574278992.db2.gz HGANZYDGOKYYQR-OAHLLOKOSA-N 0 1 274.364 2.722 20 30 CFEDMN OCC(=NNc1ncccc1Cl)c1ccc(F)cc1F ZINC000749612268 574302357 /nfs/dbraw/zinc/30/23/57/574302357.db2.gz MPZAXESKBYRDQF-UHFFFAOYSA-N 0 1 297.692 2.822 20 30 CFEDMN Cc1ccc(NN=C2CCc3c2c(F)ccc3F)nn1 ZINC000749609264 574302476 /nfs/dbraw/zinc/30/24/76/574302476.db2.gz VWZJMRIMMOEKHT-UHFFFAOYSA-N 0 1 274.274 2.826 20 30 CFEDMN CCCOc1ccc(CN=Nc2ccnc(N(C)C)n2)cc1 ZINC000739417762 574308308 /nfs/dbraw/zinc/30/83/08/574308308.db2.gz CWRPRDMTYOAXKP-UHFFFAOYSA-N 0 1 299.378 2.777 20 30 CFEDMN C=CCCCN(C)CN1C(=O)[C@H]2CCCCC[C@@H]21 ZINC000749953062 574318048 /nfs/dbraw/zinc/31/80/48/574318048.db2.gz AWXRQFPGCMMZND-KBPBESRZSA-N 0 1 250.386 2.633 20 30 CFEDMN C[C@@H](COc1ccccc1)NCc1ccc(C#N)o1 ZINC000742369050 574324984 /nfs/dbraw/zinc/32/49/84/574324984.db2.gz LGMCNWRKEWXDTN-LBPRGKRZSA-N 0 1 256.305 2.708 20 30 CFEDMN CC(=O)Nc1ccc(CNCc2cc(C#N)ccc2F)cc1 ZINC000742380792 574326182 /nfs/dbraw/zinc/32/61/82/574326182.db2.gz LBUSWVIUZIQNCQ-UHFFFAOYSA-N 0 1 297.333 2.946 20 30 CFEDMN Cc1cccc2nc([C@@H](C#N)C(=O)CC3CC3)[nH]c21 ZINC000735791445 574335243 /nfs/dbraw/zinc/33/52/43/574335243.db2.gz YRJPVZCAHNUBMV-NSHDSACASA-N 0 1 253.305 2.848 20 30 CFEDMN Oc1c(F)cc(C=NO[C@@H]2CCCCO2)cc1F ZINC000755822841 574350022 /nfs/dbraw/zinc/35/00/22/574350022.db2.gz VOLSGTNBZHNRBZ-LLVKDONJSA-N 0 1 257.236 2.548 20 30 CFEDMN C[C@@H]1CCC[C@H](CC(=O)C(C#N)C(=O)Nc2ccccn2)C1 ZINC000750667118 574350166 /nfs/dbraw/zinc/35/01/66/574350166.db2.gz CSUPCGQXBZEHNR-RDBSUJKOSA-N 0 1 299.374 2.945 20 30 CFEDMN C[C@@H](C(=O)C(C#N)C(=O)NC1CCCC1)C1CCCC1 ZINC000750690969 574351128 /nfs/dbraw/zinc/35/11/28/574351128.db2.gz VWOZXGDTGODVEA-RISCZKNCSA-N 0 1 276.380 2.580 20 30 CFEDMN COc1cc(CN=Nc2cc(C)ccn2)cc2c1OCO2 ZINC000755902765 574364509 /nfs/dbraw/zinc/36/45/09/574364509.db2.gz NUTRDUDSJFWJKI-UHFFFAOYSA-N 0 1 285.303 2.573 20 30 CFEDMN Cc1nc(-c2ccccc2)[nH]c1C(=O)O[C@@H](C#N)C1CC1 ZINC000751176643 574371009 /nfs/dbraw/zinc/37/10/09/574371009.db2.gz GRHOLBQTKOMBOH-ZDUSSCGKSA-N 0 1 281.315 2.844 20 30 CFEDMN C[C@H]1CN(C)CC1N=Nc1ccc([N+](=O)[O-])cc1Cl ZINC000752165335 574388731 /nfs/dbraw/zinc/38/87/31/574388731.db2.gz QEKMUYYWKGMLME-QMMMGPOBSA-N 0 1 282.731 2.598 20 30 CFEDMN N#Cc1ccc(O)c(NC(=O)C23CCC(CC2)C3)c1 ZINC000752679417 574393596 /nfs/dbraw/zinc/39/35/96/574393596.db2.gz KGXFZSICMGTXAL-UHFFFAOYSA-N 0 1 256.305 2.783 20 30 CFEDMN CN1CCc2cc(C=NNCc3ccc(C#N)cc3)ccc21 ZINC000752734468 574394246 /nfs/dbraw/zinc/39/42/46/574394246.db2.gz IGONOYBMIULTIK-UHFFFAOYSA-N 0 1 290.370 2.674 20 30 CFEDMN C#CCCN1CCN([C@H](C)c2ccc(F)cc2F)CC1 ZINC000752857665 574395849 /nfs/dbraw/zinc/39/58/49/574395849.db2.gz XFOCYIOYOLKDQA-CYBMUJFWSA-N 0 1 278.346 2.667 20 30 CFEDMN C[C@H](c1ccc(C#N)cc1)[N@H+]1CCC[C@H](CC(=O)[O-])C1 ZINC000086757464 597081544 /nfs/dbraw/zinc/08/15/44/597081544.db2.gz GQNRXULVHHHQPI-TZMCWYRMSA-N 0 1 272.348 2.806 20 30 CFEDMN O=C([O-])C[C@H]1CCC[N@@H+](CC#Cc2cccc(Cl)c2)C1 ZINC000821516660 597353643 /nfs/dbraw/zinc/35/36/43/597353643.db2.gz UIDHUQYEDZVQOU-CQSZACIVSA-N 0 1 291.778 2.878 20 30 CFEDMN C=C(C)CN1CCC[C@H](NC(=O)[C@@H](C)C2CCC2)C1 ZINC001007595562 651137171 /nfs/dbraw/zinc/13/71/71/651137171.db2.gz LEKQGUBFAAIGPD-ZFWWWQNUSA-N 0 1 264.413 2.579 20 30 CFEDMN CC[C@H]1C[N@H+]([C@@H](C(=O)[O-])c2ccc(C#N)cc2)CCS1 ZINC000829141272 601042445 /nfs/dbraw/zinc/04/24/45/601042445.db2.gz KYBXYEMDKNGTJC-UONOGXRCSA-N 0 1 290.388 2.511 20 30 CFEDMN C#CC[N@H+](C/C=C(/C)C(=O)[O-])[C@@H]1CCc2ccccc21 ZINC000825614712 601050122 /nfs/dbraw/zinc/05/01/22/601050122.db2.gz VXZVSBOPDNRVAH-IVOILVROSA-N 0 1 269.344 2.640 20 30 CFEDMN CC1(C)C[N@H+]([C@H](C(=O)[O-])c2cccc(C#N)c2)CCS1 ZINC000828074797 601328514 /nfs/dbraw/zinc/32/85/14/601328514.db2.gz RERAYLREVFWXJJ-ZDUSSCGKSA-N 0 1 290.388 2.511 20 30 CFEDMN C/C(=C\C[N@@H+]1CCC[C@@H]1[C@@H](C#N)c1ccccc1)C(=O)[O-] ZINC000825741366 601429223 /nfs/dbraw/zinc/42/92/23/601429223.db2.gz MHCVLNLOXQHWPX-FKZVYCBESA-N 0 1 284.359 2.789 20 30 CFEDMN C/C(=C\C[N@H+]1CCC[C@@H]1[C@@H](C#N)c1ccccc1)C(=O)[O-] ZINC000825741366 601429225 /nfs/dbraw/zinc/42/92/25/601429225.db2.gz MHCVLNLOXQHWPX-FKZVYCBESA-N 0 1 284.359 2.789 20 30 CFEDMN C=CCC[N@H+](C)[C@@H](C(=O)[O-])c1cc(F)c(F)c(F)c1 ZINC000825671034 601905906 /nfs/dbraw/zinc/90/59/06/601905906.db2.gz BFLBVGBEDIOCGC-GFCCVEGCSA-N 0 1 273.254 2.738 20 30 CFEDMN CC[C@]1(C)CC[N@H+]([C@@H](C(=O)[O-])c2cccc(C#N)c2)C1 ZINC000829051015 602239933 /nfs/dbraw/zinc/23/99/33/602239933.db2.gz ZCIWUKBFHFDJAR-GDBMZVCRSA-N 0 1 272.348 2.806 20 30 CFEDMN CC(C)(C#N)CCC[N@@H+](CC(=O)[O-])C1CCCC1 ZINC000087599973 602333691 /nfs/dbraw/zinc/33/36/91/602333691.db2.gz ANCHKLNMNSVBEQ-UHFFFAOYSA-N 0 1 252.358 2.646 20 30 CFEDMN C=CCN1CCC[C@@H](NC(=O)[C@H]2CCC(C)(C)C2)C1 ZINC001008447220 651148198 /nfs/dbraw/zinc/14/81/98/651148198.db2.gz HZSJEJZEXHSYAK-UONOGXRCSA-N 0 1 264.413 2.579 20 30 CFEDMN C[C@H]1CCc2[nH]ncc2[C@@H]1C(=O)N(C)c1cccc(C#N)c1 ZINC000900377457 620667192 /nfs/dbraw/zinc/66/71/92/620667192.db2.gz TWOWBLIIPIOPTM-MEDUHNTESA-N 0 1 294.358 2.610 20 30 CFEDMN C=CC[N@H+](Cc1c[nH]c(C(=O)[O-])c1)Cc1cccs1 ZINC000833374281 604521588 /nfs/dbraw/zinc/52/15/88/604521588.db2.gz DYBFBZHLWUPMAC-UHFFFAOYSA-N 0 1 276.361 2.963 20 30 CFEDMN C=CC[N@@H+](Cc1ccc(O[C@@H](C)C(=O)[O-])cc1)C(C)C ZINC000833374367 604551465 /nfs/dbraw/zinc/55/14/65/604551465.db2.gz HMDABEKVBMFRGU-ZDUSSCGKSA-N 0 1 277.364 2.935 20 30 CFEDMN C#CCOc1ccccc1C[N@H+](CCC(=O)[O-])CC(C)C ZINC000833367174 604577865 /nfs/dbraw/zinc/57/78/65/604577865.db2.gz REJVOBJZULDTAN-UHFFFAOYSA-N 0 1 289.375 2.631 20 30 CFEDMN CC(C)[N@H+](Cc1cccc(C(=O)[O-])c1C#N)CC1CC1 ZINC000833498387 604614648 /nfs/dbraw/zinc/61/46/48/604614648.db2.gz PGCZBCZEECSVTP-UHFFFAOYSA-N 0 1 272.348 2.877 20 30 CFEDMN N#CCCC[N@H+](CCCC(=O)[O-])Cc1ccccc1 ZINC000833066231 604787045 /nfs/dbraw/zinc/78/70/45/604787045.db2.gz YMWORBPDFPIKJG-UHFFFAOYSA-N 0 1 260.337 2.657 20 30 CFEDMN C[N@@H+](CC#Cc1ccc(F)cc1)C1(C(=O)[O-])CCCC1 ZINC000833690707 604961214 /nfs/dbraw/zinc/96/12/14/604961214.db2.gz BBNAMYITPYDOJV-UHFFFAOYSA-N 0 1 275.323 2.506 20 30 CFEDMN C=C(Br)C[N@@H+]1[C@@H]2CCCC[C@H]2C[C@H]1C(=O)[O-] ZINC000250516411 604963411 /nfs/dbraw/zinc/96/34/11/604963411.db2.gz HDJHFWWLSOYLBJ-AXFHLTTASA-N 0 1 288.185 2.613 20 30 CFEDMN C=C(C)CN1CCC[C@@H](NC(=O)[C@@H](C)C2CCCC2)C1 ZINC001009150120 651156793 /nfs/dbraw/zinc/15/67/93/651156793.db2.gz BIPXYIOOFZOKQD-GOEBONIOSA-N 0 1 278.440 2.969 20 30 CFEDMN CC(C)(C#N)CC[N@H+]1CCc2ccccc2[C@@H]1C(=O)[O-] ZINC000087592727 605191528 /nfs/dbraw/zinc/19/15/28/605191528.db2.gz MOOGYAJUBKZSIA-CQSZACIVSA-N 0 1 272.348 2.610 20 30 CFEDMN C[C@H]1C[N@H+](Cc2cccc(C(=O)[O-])c2C#N)CC[C@@H]1C ZINC000833615922 605213392 /nfs/dbraw/zinc/21/33/92/605213392.db2.gz NALOJRSRGPCDIH-RYUDHWBXSA-N 0 1 272.348 2.734 20 30 CFEDMN CC(C)N(Cc1cn(Cc2ccccc2C#N)nn1)C(C)C ZINC000900496496 620682705 /nfs/dbraw/zinc/68/27/05/620682705.db2.gz PQALJCAJZZTUPB-UHFFFAOYSA-N 0 1 297.406 2.817 20 30 CFEDMN CC(C)C[N@@H+](CCC(=O)[O-])Cc1ccc(CC#N)cc1 ZINC000833486844 605372465 /nfs/dbraw/zinc/37/24/65/605372465.db2.gz SHVOYVPVGCKIRG-UHFFFAOYSA-N 0 1 274.364 2.685 20 30 CFEDMN C=C(C)C[N@H+](C)[C@H](C)C(=O)Nc1cc(C(=O)[O-])ccc1C ZINC000833368658 605389880 /nfs/dbraw/zinc/38/98/80/605389880.db2.gz OXJZMFUZBNHLMK-GFCCVEGCSA-N 0 1 290.363 2.528 20 30 CFEDMN CCCCCCC[NH2+]Cc1ccc(-c2nnn[n-]2)s1 ZINC000821056724 606406043 /nfs/dbraw/zinc/40/60/43/606406043.db2.gz XCELIXDVGSUFKI-UHFFFAOYSA-N 0 1 279.413 2.988 20 30 CFEDMN CCCCCCC[NH2+]Cc1ccc(-c2nn[n-]n2)s1 ZINC000821056724 606406044 /nfs/dbraw/zinc/40/60/44/606406044.db2.gz XCELIXDVGSUFKI-UHFFFAOYSA-N 0 1 279.413 2.988 20 30 CFEDMN C=CC1(CC(=O)N[C@H](C)c2n[nH]c(C)n2)CCCCC1 ZINC000935962249 649966901 /nfs/dbraw/zinc/96/69/01/649966901.db2.gz NBVFNZRUWLFTJN-LLVKDONJSA-N 0 1 276.384 2.817 20 30 CFEDMN CCCCCCN=Nc1oc(C(C)C)nc1-c1nn[nH]n1 ZINC000825267218 607886787 /nfs/dbraw/zinc/88/67/87/607886787.db2.gz JVECUXRURHBRSK-UHFFFAOYSA-N 0 1 291.359 2.956 20 30 CFEDMN C#CCCN1CC[C@@H](C)[C@@H](NC(=O)c2sccc2C)C1 ZINC000964683153 613014887 /nfs/dbraw/zinc/01/48/87/613014887.db2.gz HSEMBVAQTBXVPC-OCCSQVGLSA-N 0 1 290.432 2.520 20 30 CFEDMN C#CCN(C)[C@@H]1CCN(C(=O)C[C@H]2CCCCC2(C)C)C1 ZINC000980566193 613081162 /nfs/dbraw/zinc/08/11/62/613081162.db2.gz JCDJSUHIJMPYHB-HZPDHXFCSA-N 0 1 290.451 2.759 20 30 CFEDMN C#CCN(C)[C@@H]1CCN(C(=O)[C@@H](CC)CC2CCCC2)C1 ZINC000972472386 613082376 /nfs/dbraw/zinc/08/23/76/613082376.db2.gz MWMYGLDTSUYSLI-DLBZAZTESA-N 0 1 290.451 2.759 20 30 CFEDMN C#CCN(C)[C@H]1CCN(C(=O)c2cccc(C3CCC3)c2)C1 ZINC000972727535 613095403 /nfs/dbraw/zinc/09/54/03/613095403.db2.gz DHGKFOXTGOBOBU-SFHVURJKSA-N 0 1 296.414 2.734 20 30 CFEDMN C#CCN(C)[C@H]1CCN(C(=O)c2ccccc2C(C)(C)C)C1 ZINC000971753039 613095644 /nfs/dbraw/zinc/09/56/44/613095644.db2.gz LRWSZXSVMXYBAT-HNNXBMFYSA-N 0 1 298.430 2.764 20 30 CFEDMN C#CCN1CCCCC[C@@H]1CNC(=O)C1CCC(=C)CC1 ZINC000969014063 613145622 /nfs/dbraw/zinc/14/56/22/613145622.db2.gz OQXFCWYWHMIJMX-QGZVFWFLSA-N 0 1 288.435 2.727 20 30 CFEDMN C#CCN1CCCCC[C@@H]1CNC(=O)c1cccc(C)c1 ZINC000968733706 613146675 /nfs/dbraw/zinc/14/66/75/613146675.db2.gz SQFPHYFMCRWMQZ-QGZVFWFLSA-N 0 1 284.403 2.603 20 30 CFEDMN C#CCN1CCCCC[C@@H]1CNC(=O)c1cc(C)ccc1C ZINC000969129831 613146877 /nfs/dbraw/zinc/14/68/77/613146877.db2.gz CXVBFASDNDQOJW-QGZVFWFLSA-N 0 1 298.430 2.911 20 30 CFEDMN C#CCN1CCCCC[C@@H]1CNC(=O)c1oc(C)cc1C ZINC000968794379 613147456 /nfs/dbraw/zinc/14/74/56/613147456.db2.gz SEFVCUZFYLBJJD-OAHLLOKOSA-N 0 1 288.391 2.504 20 30 CFEDMN C#CCN1CCCCC[C@H]1CNC(=O)c1ccc(C)c(C)c1 ZINC000969138791 613148645 /nfs/dbraw/zinc/14/86/45/613148645.db2.gz BKGCBYDHRGITBL-SFHVURJKSA-N 0 1 298.430 2.911 20 30 CFEDMN C#CCN1CC[C@@H](NC(=O)C2(F)CCCCC2)C(C)(C)C1 ZINC000941145824 613222888 /nfs/dbraw/zinc/22/28/88/613222888.db2.gz VBHBBDHWWZTBQP-CQSZACIVSA-N 0 1 294.414 2.509 20 30 CFEDMN C#CCN1CC[C@@H](NC(=O)C2(C)CCCCC2)C(C)(C)C1 ZINC000941002859 613223130 /nfs/dbraw/zinc/22/31/30/613223130.db2.gz OHACPEZKIIZDST-OAHLLOKOSA-N 0 1 290.451 2.807 20 30 CFEDMN C#CCN1CC[C@@H](NC(=O)C2=CCCCCC2)C(C)(C)C1 ZINC000940709997 613224153 /nfs/dbraw/zinc/22/41/53/613224153.db2.gz RTEVJDHKMCPDLH-MRXNPFEDSA-N 0 1 288.435 2.727 20 30 CFEDMN C=C(C)C(C)(C)C(=O)N1CC2(C1)CCCN(CC#CC)C2 ZINC000981929801 613239662 /nfs/dbraw/zinc/23/96/62/613239662.db2.gz BLDNGOIRKDKPQE-UHFFFAOYSA-N 0 1 288.435 2.536 20 30 CFEDMN C=C(C)CCN1CCN(C(=O)C(C)(C)C(C)(F)F)CC1 ZINC000957479668 613256994 /nfs/dbraw/zinc/25/69/94/613256994.db2.gz JUOZMNVITOVDMW-UHFFFAOYSA-N 0 1 288.382 2.778 20 30 CFEDMN C=C(C)CCN1CCN(C(=O)C(C2CC2)C2CC2)CC1 ZINC000957125600 613257079 /nfs/dbraw/zinc/25/70/79/613257079.db2.gz VXNMWFNJHYUZIP-UHFFFAOYSA-N 0 1 276.424 2.533 20 30 CFEDMN C=C(C)CCN1CCN(C(=O)CC2CC(C)(C)C2)CC1 ZINC000949820980 613257295 /nfs/dbraw/zinc/25/72/95/613257295.db2.gz HKLZKVZPTUGFCJ-UHFFFAOYSA-N 0 1 278.440 2.923 20 30 CFEDMN C=C(C)CCN1CCN(C(=O)C[C@@H](C)c2ccco2)CC1 ZINC000957353553 613257566 /nfs/dbraw/zinc/25/75/66/613257566.db2.gz FJVDKUPBPLGBTR-OAHLLOKOSA-N 0 1 290.407 2.884 20 30 CFEDMN C=C(C)CCN1CCN(C(=O)C[C@@H]2CC[C@@H]3C[C@@H]32)CC1 ZINC000948979940 613257842 /nfs/dbraw/zinc/25/78/42/613257842.db2.gz XGXTYWWYUXRBOV-PMPSAXMXSA-N 0 1 276.424 2.533 20 30 CFEDMN C=C(C)CCN1CCN(C(=O)[C@@H]2CCC[C@@H]3C[C@@H]32)CC1 ZINC000948973477 613259421 /nfs/dbraw/zinc/25/94/21/613259421.db2.gz VXFFGKHCVLQAST-OAGGEKHMSA-N 0 1 276.424 2.533 20 30 CFEDMN C=C(C)CCN1CCN(C(=O)c2ccn3ccccc23)CC1 ZINC000949238021 613261581 /nfs/dbraw/zinc/26/15/81/613261581.db2.gz LZLBRNYEJTZPPN-UHFFFAOYSA-N 0 1 297.402 2.663 20 30 CFEDMN C=C(C)CN1CC([C@H](C)NC(=O)c2cc(C)cs2)C1 ZINC000969628839 613302628 /nfs/dbraw/zinc/30/26/28/613302628.db2.gz VOIJMRWJISZRNV-LBPRGKRZSA-N 0 1 278.421 2.683 20 30 CFEDMN C=C(C)CN1CC([C@H](C)NC(=O)c2sccc2F)C1 ZINC000969619590 613304250 /nfs/dbraw/zinc/30/42/50/613304250.db2.gz DEKWQTLVOMSZGM-JTQLQIEISA-N 0 1 282.384 2.513 20 30 CFEDMN C=C(C)CN1CCCN(C(=O)C2(CC)CCC2)CC1 ZINC000981774000 613307644 /nfs/dbraw/zinc/30/76/44/613307644.db2.gz RTGSTEYOAYGTOX-UHFFFAOYSA-N 0 1 264.413 2.677 20 30 CFEDMN C=C(C)CN1CCCN(C(=O)C(C)=C2CCC2)CC1 ZINC000981130118 613307775 /nfs/dbraw/zinc/30/77/75/613307775.db2.gz IZKBYEZJIZALLM-UHFFFAOYSA-N 0 1 262.397 2.597 20 30 CFEDMN C=C(C)CN1CCCN(C(=O)[C@@H]2CCCC2(C)C)CC1 ZINC000981783330 613309641 /nfs/dbraw/zinc/30/96/41/613309641.db2.gz IDVIOMLOSLSDCG-HNNXBMFYSA-N 0 1 278.440 2.923 20 30 CFEDMN C=C(C)CN1CCCN(C(=O)[C@H]2CCC[C@@H]2CC)CC1 ZINC000981895312 613310846 /nfs/dbraw/zinc/31/08/46/613310846.db2.gz MUSLSXKQBRJXJZ-HOTGVXAUSA-N 0 1 278.440 2.923 20 30 CFEDMN C=C(C)CN1CCCN(C(=O)c2cc3cnccc3o2)CC1 ZINC000981555938 613312063 /nfs/dbraw/zinc/31/20/63/613312063.db2.gz FEKOMVSNSBRDCK-UHFFFAOYSA-N 0 1 299.374 2.552 20 30 CFEDMN C=C(C)CN1CC[C@@H](C)[C@@H](NC(=O)c2c(C)coc2C)C1 ZINC000965984447 613324342 /nfs/dbraw/zinc/32/43/42/613324342.db2.gz DOLBJPBFUCIIAY-DOMZBBRYSA-N 0 1 290.407 2.913 20 30 CFEDMN C=C(C)CN1CC[C@H](C)[C@@H](NC(=O)c2ccc(Cl)o2)C1 ZINC000965157818 613333118 /nfs/dbraw/zinc/33/31/18/613333118.db2.gz YQARVFCXOQCKMW-RYUDHWBXSA-N 0 1 296.798 2.949 20 30 CFEDMN C=C(C)CN1CC[C@H](C)[C@H](NC(=O)c2ccc(C)o2)C1 ZINC000964908121 613334366 /nfs/dbraw/zinc/33/43/66/613334366.db2.gz UJZDBKZOQTYBCP-GXTWGEPZSA-N 0 1 276.380 2.604 20 30 CFEDMN C=C(C)CN1C[C@H](NC(=O)c2cc(C)oc2C)C(C)(C)C1 ZINC000972799363 613342015 /nfs/dbraw/zinc/34/20/15/613342015.db2.gz YLBHNEVVRSQSAS-HNNXBMFYSA-N 0 1 290.407 2.913 20 30 CFEDMN C=C(Cl)CN[C@@H]1CCN(C(=O)C(C)(C)C(C)C)C1 ZINC000968782944 613384407 /nfs/dbraw/zinc/38/44/07/613384407.db2.gz GUWAYTBULHZBEM-GFCCVEGCSA-N 0 1 272.820 2.612 20 30 CFEDMN C=C(Cl)CN[C@@H]1CCN(C(=O)C[C@@H]2C=CCCC2)C1 ZINC000969063219 613384523 /nfs/dbraw/zinc/38/45/23/613384523.db2.gz FGXBZJHKMZNSPV-ZIAGYGMSSA-N 0 1 282.815 2.676 20 30 CFEDMN C=C(Cl)CN[C@@H]1CCN(C(=O)[C@@H](C)C(C)(C)C)C1 ZINC000969095324 613385066 /nfs/dbraw/zinc/38/50/66/613385066.db2.gz QXGFFGSHUAXMNR-VXGBXAGGSA-N 0 1 272.820 2.612 20 30 CFEDMN C=C(Cl)CN[C@@H]1CCN(C(=O)[C@@H](F)c2ccccc2)C1 ZINC000970108105 613385086 /nfs/dbraw/zinc/38/50/86/613385086.db2.gz WFQWWZMAECHHIQ-KGLIPLIRSA-N 0 1 296.773 2.640 20 30 CFEDMN C=C(Cl)CN[C@@H]1CCN(C(=O)[C@H](C)c2ccccc2)C1 ZINC000970527445 613385306 /nfs/dbraw/zinc/38/53/06/613385306.db2.gz PUOQVAVZUVYNQE-UKRRQHHQSA-N 0 1 292.810 2.733 20 30 CFEDMN C=C(Cl)CN[C@@H]1CCN(C(=O)[C@]2(C)CC=CCC2)C1 ZINC000968782796 613385542 /nfs/dbraw/zinc/38/55/42/613385542.db2.gz ATHGOVPJXHCZCV-UKRRQHHQSA-N 0 1 282.815 2.676 20 30 CFEDMN C=C(Cl)CN[C@@H]1CCN(C(=O)c2ccc(CC)s2)C1 ZINC000969235068 613385744 /nfs/dbraw/zinc/38/57/44/613385744.db2.gz LYPSHMWQHIDZKY-LLVKDONJSA-N 0 1 298.839 2.867 20 30 CFEDMN C=C(Cl)CN[C@H]1CN(C(=O)c2occc2CC)C[C@H]1C ZINC000939074372 613387093 /nfs/dbraw/zinc/38/70/93/613387093.db2.gz YDPIHWXUULDZNC-MFKMUULPSA-N 0 1 296.798 2.645 20 30 CFEDMN C=C1CCC(C(=O)N[C@@H]2CCN(CCF)[C@@H](C)C2)CC1 ZINC000947689551 613410906 /nfs/dbraw/zinc/41/09/06/613410906.db2.gz LCIJLYGIMVUPPG-DZGCQCFKSA-N 0 1 282.403 2.671 20 30 CFEDMN C=C1CCC(C(=O)N[C@@H]2[C@H]3CN(C[C@H](F)CC)C[C@H]32)CC1 ZINC000961683721 613413128 /nfs/dbraw/zinc/41/31/28/613413128.db2.gz AFXUDAIWNYPWHY-WCVJEAGWSA-N 0 1 294.414 2.527 20 30 CFEDMN C=CC(C)(C)C(=O)N1CC[C@@H](N(C)Cc2ccsc2)C1 ZINC000972078102 613434560 /nfs/dbraw/zinc/43/45/60/613434560.db2.gz CRCTVJVHFXZPQV-CQSZACIVSA-N 0 1 292.448 2.993 20 30 CFEDMN C=C[C@@](C)(CC)C(=O)N1CC2(C1)CCCN(CC#CC)C2 ZINC000981987624 613472501 /nfs/dbraw/zinc/47/25/01/613472501.db2.gz GCTINGMKEIAAMV-KRWDZBQOSA-N 0 1 288.435 2.536 20 30 CFEDMN C=CCCN1CCN(C(=O)CC2CC(C)(C)C2)CC1 ZINC000949816959 613502951 /nfs/dbraw/zinc/50/29/51/613502951.db2.gz FTZMFMAIPILMJF-UHFFFAOYSA-N 0 1 264.413 2.533 20 30 CFEDMN C=CCCN1CCN(C(=O)C2[C@@H]3CCCCCC[C@@H]23)CC1 ZINC000950715538 613502974 /nfs/dbraw/zinc/50/29/74/613502974.db2.gz UQXUXMXBRCTKDU-HZPDHXFCSA-N 0 1 290.451 2.923 20 30 CFEDMN C=CCCN1CCN(C(=O)C[C@@H]2CCC(F)(F)C2)CC1 ZINC000948682544 613503598 /nfs/dbraw/zinc/50/35/98/613503598.db2.gz ABVCDIORHQTYBH-ZDUSSCGKSA-N 0 1 286.366 2.532 20 30 CFEDMN C=CCCN1CCN(C(=O)Cc2cc(C)ccc2C)CC1 ZINC000950015036 613504693 /nfs/dbraw/zinc/50/46/93/613504693.db2.gz UEADHFDXXDFISX-UHFFFAOYSA-N 0 1 286.419 2.566 20 30 CFEDMN C=CCCN1CCN(C(=O)[C@@H]2C[C@H]2c2cccc(C)c2)CC1 ZINC000951707343 613506651 /nfs/dbraw/zinc/50/66/51/613506651.db2.gz ZUKGEVHTWSQTLR-ZWKOTPCHSA-N 0 1 298.430 2.819 20 30 CFEDMN C=CCCN1CCN(C(=O)[C@H](C)CC2CCCC2)CC1 ZINC000951169261 613507961 /nfs/dbraw/zinc/50/79/61/613507961.db2.gz HBXFDIOAABEHOP-OAHLLOKOSA-N 0 1 278.440 2.923 20 30 CFEDMN C=CCCN1CCN(C(=O)c2cccc3c2ccn3C)CC1 ZINC000951777583 613510682 /nfs/dbraw/zinc/51/06/82/613510682.db2.gz WLMSFFZSTYCTCU-UHFFFAOYSA-N 0 1 297.402 2.512 20 30 CFEDMN C=CCCN1CCN(C(=O)c2ccc3cnccc3c2)CC1 ZINC000957090475 613510867 /nfs/dbraw/zinc/51/08/67/613510867.db2.gz GZDRGBJZHCTGDN-UHFFFAOYSA-N 0 1 295.386 2.569 20 30 CFEDMN CC#CCN1CC([C@@H](C)NC(=O)c2ccc(C(C)C)cc2)C1 ZINC000970786626 613533243 /nfs/dbraw/zinc/53/32/43/613533243.db2.gz ROTNFVKLRJYJPC-OAHLLOKOSA-N 0 1 298.430 2.883 20 30 CFEDMN CC#CCN1CCCCC[C@H]1CNC(=O)c1occc1C ZINC000968750553 613546335 /nfs/dbraw/zinc/54/63/35/613546335.db2.gz PUSZFSAHHRWYHA-HNNXBMFYSA-N 0 1 288.391 2.586 20 30 CFEDMN CC#CCN1CCCCC[C@H]1CNC(=O)c1cccs1 ZINC000968738609 613546970 /nfs/dbraw/zinc/54/69/70/613546970.db2.gz WOGKGGQDNNKVMD-AWEZNQCLSA-N 0 1 290.432 2.746 20 30 CFEDMN CC#CCN1CC[C@@H](C)[C@@H](NC(=O)C=C2CCCCC2)C1 ZINC000965449424 613571950 /nfs/dbraw/zinc/57/19/50/613571950.db2.gz OIMIOKIJQYOGJQ-WBVHZDCISA-N 0 1 288.435 2.727 20 30 CFEDMN CC#CCN1CC[C@@H](C)[C@H](NC(=O)c2ccc(C)c(C)c2)C1 ZINC000968607684 613575040 /nfs/dbraw/zinc/57/50/40/613575040.db2.gz ZCMGZDAYODUZTR-CRAIPNDOSA-N 0 1 298.430 2.767 20 30 CFEDMN CC#CCN1CC[C@H](C)[C@@H](NC(=O)c2cc(C)cc(C)c2)C1 ZINC000968588597 613591516 /nfs/dbraw/zinc/59/15/16/613591516.db2.gz MMONCHBBCTVKCC-WMZOPIPTSA-N 0 1 298.430 2.767 20 30 CFEDMN CC#CCN1C[C@@H](NC(=O)C2(C)CCCCC2)C(C)(C)C1 ZINC000975010683 613608684 /nfs/dbraw/zinc/60/86/84/613608684.db2.gz VDABWNTZVIDPCZ-OAHLLOKOSA-N 0 1 290.451 2.807 20 30 CFEDMN C=CCN1CC([C@@H](C)NC(=O)[C@@H]2CCCc3ccccc32)C1 ZINC000969960403 613661888 /nfs/dbraw/zinc/66/18/88/613661888.db2.gz FAIMGMIGDZLQFN-RDTXWAMCSA-N 0 1 298.430 2.729 20 30 CFEDMN C=CCN1CC([C@@H](C)NC(=O)c2cc3ccccc3o2)C1 ZINC000970841913 613664625 /nfs/dbraw/zinc/66/46/25/613664625.db2.gz RPDDPSVCTFOZGZ-GFCCVEGCSA-N 0 1 284.359 2.669 20 30 CFEDMN C=CCN1CC([C@@H](C)NC(=O)c2ccc(Cl)cc2C)C1 ZINC000970368386 613665245 /nfs/dbraw/zinc/66/52/45/613665245.db2.gz DGXWDTWGQSDMGM-GFCCVEGCSA-N 0 1 292.810 2.885 20 30 CFEDMN C=CCN1CC([C@@H](C)NC(=O)c2ccc(F)c(Cl)c2)C1 ZINC000970350070 613665275 /nfs/dbraw/zinc/66/52/75/613665275.db2.gz AWJPACSQEFURFX-SNVBAGLBSA-N 0 1 296.773 2.715 20 30 CFEDMN C=CCN1CC([C@@H](C)NC(=O)c2ccc(C3CC3)cc2)C1 ZINC000970904612 613665543 /nfs/dbraw/zinc/66/55/43/613665543.db2.gz QUQUBEWGXRMEJY-CYBMUJFWSA-N 0 1 284.403 2.800 20 30 CFEDMN C=CCN1CC([C@H](C)NC(=O)c2c(F)cc(C)cc2F)C1 ZINC000970115537 613670518 /nfs/dbraw/zinc/67/05/18/613670518.db2.gz FBCNRPJCWCCQIF-NSHDSACASA-N 0 1 294.345 2.509 20 30 CFEDMN C=CCN1CC([C@H](C)NC(=O)c2cccc3c2CCCC3)C1 ZINC000969736838 613672050 /nfs/dbraw/zinc/67/20/50/613672050.db2.gz FCFTYNJVEUKTSH-AWEZNQCLSA-N 0 1 298.430 2.802 20 30 CFEDMN C=CCN1CCCN(C(=O)[C@@H]2CCCC[C@@H]2C2CC2)CC1 ZINC000981684655 613691440 /nfs/dbraw/zinc/69/14/40/613691440.db2.gz IWHMZOJFSZLUQJ-IAGOWNOFSA-N 0 1 290.451 2.923 20 30 CFEDMN C=CCN1CCCN(C(=O)[C@@H]2CCC(C)(C)C2)CC1 ZINC000981892277 613691545 /nfs/dbraw/zinc/69/15/45/613691545.db2.gz OJLBHHHBSTZRJF-CQSZACIVSA-N 0 1 264.413 2.533 20 30 CFEDMN C=CCN1CCCN(C(=O)[C@@H]2C[C@]2(CC)C(C)C)CC1 ZINC000983391435 613692369 /nfs/dbraw/zinc/69/23/69/613692369.db2.gz WAPRXBYACMCZBO-DOTOQJQBSA-N 0 1 278.440 2.779 20 30 CFEDMN C=CCN1CCCN(C(=O)[C@H](C)c2cccs2)CC1 ZINC000981939751 613693445 /nfs/dbraw/zinc/69/34/45/613693445.db2.gz GDRNEMWTUKAEME-CYBMUJFWSA-N 0 1 278.421 2.572 20 30 CFEDMN C=CCN1CCCN(C(=O)c2ccc(C)nc2C2CC2)CC1 ZINC000981705408 613697424 /nfs/dbraw/zinc/69/74/24/613697424.db2.gz OUPYTLYZBOHHCS-UHFFFAOYSA-N 0 1 299.418 2.601 20 30 CFEDMN C=CCN1CC[C@@H](C)[C@@H](NC(=O)c2cc(C)ccc2C)C1 ZINC000968589101 613729188 /nfs/dbraw/zinc/72/91/88/613729188.db2.gz QMPOQLJRCXNBTG-WBVHZDCISA-N 0 1 286.419 2.930 20 30 CFEDMN C=CCN1CC[C@@H](C)[C@@H](NC(=O)c2cccnc2C2CC2)C1 ZINC000967227985 613730790 /nfs/dbraw/zinc/73/07/90/613730790.db2.gz GPDQNBLCWQVEOX-CJNGLKHVSA-N 0 1 299.418 2.585 20 30 CFEDMN C=CCN1CC[C@@H](C)[C@H](NC(=O)CC2CCCC2)C1 ZINC000964772164 613732718 /nfs/dbraw/zinc/73/27/18/613732718.db2.gz MAGOAQBTHQTJJS-UKRRQHHQSA-N 0 1 264.413 2.579 20 30 CFEDMN C=CCN1CC[C@@H](C)[C@H](NC(=O)Cc2ccccc2C)C1 ZINC000968633680 613732824 /nfs/dbraw/zinc/73/28/24/613732824.db2.gz ZZKHAKDDEGMAAY-NVXWUHKLSA-N 0 1 286.419 2.550 20 30 CFEDMN C=CCN1CC[C@@H](C)[C@H](NC(=O)c2c(C)oc(C)c2C)C1 ZINC000967282919 613733662 /nfs/dbraw/zinc/73/36/62/613733662.db2.gz CXYCUVLACGIJNU-IAQYHMDHSA-N 0 1 290.407 2.831 20 30 CFEDMN C=CCN1CC[C@@H](C)[C@H](NC(=O)c2cc(C)ccc2C)C1 ZINC000968589099 613733794 /nfs/dbraw/zinc/73/37/94/613733794.db2.gz QMPOQLJRCXNBTG-NVXWUHKLSA-N 0 1 286.419 2.930 20 30 CFEDMN C=CCN1CC[C@@H](C)[C@H](NC(=O)c2ccc(Cl)cc2)C1 ZINC000968571246 613734169 /nfs/dbraw/zinc/73/41/69/613734169.db2.gz XIOZLXNBAKMYGA-IUODEOHRSA-N 0 1 292.810 2.966 20 30 CFEDMN C=CCN1CC[C@H](C)[C@@H](NC(=O)c2c[nH]cc2C2CC2)C1 ZINC000968488171 613767655 /nfs/dbraw/zinc/76/76/55/613767655.db2.gz IXCQBFRBLYNGMZ-LRDDRELGSA-N 0 1 287.407 2.518 20 30 CFEDMN C=CCN1CC[C@H](C)[C@@H](NC(=O)c2cc3ccccc3[nH]2)C1 ZINC000968627626 613768515 /nfs/dbraw/zinc/76/85/15/613768515.db2.gz KLUQJRRUTPMEMN-GUYCJALGSA-N 0 1 297.402 2.794 20 30 CFEDMN C=CCN1CC[C@H](C)[C@@H](NC(=O)c2ccc(Cl)cc2)C1 ZINC000968571249 613768716 /nfs/dbraw/zinc/76/87/16/613768716.db2.gz XIOZLXNBAKMYGA-WFASDCNBSA-N 0 1 292.810 2.966 20 30 CFEDMN C=CCN1CC[C@H](C)[C@H](NC(=O)C(C)=C2CCCC2)C1 ZINC000965887018 613771516 /nfs/dbraw/zinc/77/15/16/613771516.db2.gz PSTNHWNBHMFEKB-XJKSGUPXSA-N 0 1 276.424 2.890 20 30 CFEDMN C=CCN1CC[C@H](C)[C@H](NC(=O)c2[nH]ccc2C2CC2)C1 ZINC000966636058 613772591 /nfs/dbraw/zinc/77/25/91/613772591.db2.gz UVZXWGFEYXZWSG-SWLSCSKDSA-N 0 1 287.407 2.518 20 30 CFEDMN C=CCN1CC[C@H](C)[C@H](NC(=O)c2ccc(C)c(F)c2)C1 ZINC000967279699 613773286 /nfs/dbraw/zinc/77/32/86/613773286.db2.gz PNRQBOMILUDANR-XJKSGUPXSA-N 0 1 290.382 2.760 20 30 CFEDMN C=CCN1C[C@@H](NC(=O)[C@@H]2C[C@@H]3CCCC[C@H]23)C(C)(C)C1 ZINC000974849904 613807497 /nfs/dbraw/zinc/80/74/97/613807497.db2.gz AXSBUTLMIKXGEB-CAOSSQGBSA-N 0 1 290.451 2.825 20 30 CFEDMN C=CCN1C[C@@H](NC(=O)[C@H]2CC[C@H](C)CC2)C(C)(C)C1 ZINC000977501968 613807614 /nfs/dbraw/zinc/80/76/14/613807614.db2.gz NOAIHSPQFPHATI-RBSFLKMASA-N 0 1 278.440 2.825 20 30 CFEDMN C=CCN1C[C@@H](NC(=O)[C@@H]2CCC(C)(C)C2)C(C)(C)C1 ZINC000975033366 613807863 /nfs/dbraw/zinc/80/78/63/613807863.db2.gz DJAWJOSAWHHBRC-ZIAGYGMSSA-N 0 1 278.440 2.825 20 30 CFEDMN C=CCN1C[C@@H](NC(=O)c2cccc(C)c2C)C(C)(C)C1 ZINC000977579907 613810634 /nfs/dbraw/zinc/81/06/34/613810634.db2.gz YIWDYOJZGMKULJ-MRXNPFEDSA-N 0 1 286.419 2.930 20 30 CFEDMN C=CCN1C[C@H](NC(=O)C2CCC=CCC2)C(C)(C)C1 ZINC000977603315 613826620 /nfs/dbraw/zinc/82/66/20/613826620.db2.gz OPCKKKLLMHZEAK-HNNXBMFYSA-N 0 1 276.424 2.745 20 30 CFEDMN C=CCN1C[C@H](NC(=O)[C@@H]2CC[C@@H]3C[C@@H]3CC2)C(C)(C)C1 ZINC000974878896 613827947 /nfs/dbraw/zinc/82/79/47/613827947.db2.gz MHGWOLOWDWTFPT-JONQDZQNSA-N 0 1 290.451 2.825 20 30 CFEDMN C=CCN1C[C@H](NC(=O)c2ccoc2CCC)C(C)(C)C1 ZINC000977461598 613829836 /nfs/dbraw/zinc/82/98/36/613829836.db2.gz KYPLAXZFKYFYFV-HNNXBMFYSA-N 0 1 290.407 2.858 20 30 CFEDMN C=CCN1C[C@H](NC(=O)c2sccc2C)C(C)(C)C1 ZINC000972758482 613830187 /nfs/dbraw/zinc/83/01/87/613830187.db2.gz RIZOAZDRXGAGHY-LBPRGKRZSA-N 0 1 278.421 2.683 20 30 CFEDMN CC(C)C(=O)N[C@@H]1CCN(Cc2ccccc2C#N)C[C@@H]1C ZINC000941831689 613926485 /nfs/dbraw/zinc/92/64/85/613926485.db2.gz FCIYBJZMBCLOJA-WMLDXEAASA-N 0 1 299.418 2.541 20 30 CFEDMN CC(C)C(=O)N[C@H]1CN(Cc2ccc(C#N)cc2)CC[C@@H]1C ZINC000965247566 613959272 /nfs/dbraw/zinc/95/92/72/613959272.db2.gz PFPZADPOKSRDGD-YOEHRIQHSA-N 0 1 299.418 2.541 20 30 CFEDMN C[C@H]1CC[C@@H](CN(C)Cc2cc(C#N)cs2)O1 ZINC000933773277 617775978 /nfs/dbraw/zinc/77/59/78/617775978.db2.gz IULOVIXYDUCDRO-JQWIXIFHSA-N 0 1 250.367 2.619 20 30 CFEDMN C=CCCCN(CC)C(=O)c1nc[nH]c1C(F)(F)F ZINC000890810726 617909129 /nfs/dbraw/zinc/90/91/29/617909129.db2.gz BPQXDPKHLLEOEU-UHFFFAOYSA-N 0 1 275.274 2.857 20 30 CFEDMN C=CC[C@H]1CCN1C[C@@](C)(O)C(F)(F)C(F)(F)F ZINC000934462619 618041061 /nfs/dbraw/zinc/04/10/61/618041061.db2.gz RLQKVJKUQSZOGA-DTWKUNHWSA-N 0 1 273.245 2.585 20 30 CFEDMN Cc1cc([N+](=O)[O-])ccc1N=NCc1ccn(C)c1 ZINC000807990711 618052549 /nfs/dbraw/zinc/05/25/49/618052549.db2.gz LLSSJMPSEUBFSQ-UHFFFAOYSA-N 0 1 258.281 2.688 20 30 CFEDMN COC(C)(C)C(=O)C(C#N)c1nc(C(C)C)cs1 ZINC000177760987 618096978 /nfs/dbraw/zinc/09/69/78/618096978.db2.gz BAJXAROUXFIOPF-SECBINFHSA-N 0 1 266.366 2.868 20 30 CFEDMN N#CC(C(=O)CC1CCCCC1)C(=O)NCc1ccccc1 ZINC000049486795 617606056 /nfs/dbraw/zinc/60/60/56/617606056.db2.gz XDEJHAOKIUINKM-MRXNPFEDSA-N 0 1 298.386 2.982 20 30 CFEDMN C=CC(C)(C)CC(=O)NCCCC[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000900982623 620739333 /nfs/dbraw/zinc/73/93/33/620739333.db2.gz WODIPNDAIRIIIB-GASCZTMLSA-N 0 1 296.455 2.594 20 30 CFEDMN C=C1CCN(C(=O)NC[C@@H](c2cccs2)N(C)C)CC1 ZINC000891508779 617642230 /nfs/dbraw/zinc/64/22/30/617642230.db2.gz MZAWKZCASVZITL-ZDUSSCGKSA-N 0 1 293.436 2.712 20 30 CFEDMN C=CC(C)(C)NC(=O)NC[C@H](c1ccco1)N1CCCC1 ZINC000891520551 617648682 /nfs/dbraw/zinc/64/86/82/617648682.db2.gz IXUABITXWORDKY-CYBMUJFWSA-N 0 1 291.395 2.680 20 30 CFEDMN Cl/C=C/CON=Cc1ccc(N2CCOCC2)cc1 ZINC000811672332 617718201 /nfs/dbraw/zinc/71/82/01/617718201.db2.gz WNDWGUVYQNSWEI-KEUQWZNZSA-N 0 1 280.755 2.626 20 30 CFEDMN C#C[C@H]1CCCCN1C(=O)c1cc(-c2ccc(F)cc2)[nH]n1 ZINC000890647347 617732415 /nfs/dbraw/zinc/73/24/15/617732415.db2.gz FVDGTPBCCUKVAH-AWEZNQCLSA-N 0 1 297.333 2.844 20 30 CFEDMN C[C@]12CN(Cc3ccncc3C#N)C[C@H]1[C@H]1CC[C@@H]2C1 ZINC000933704906 617756340 /nfs/dbraw/zinc/75/63/40/617756340.db2.gz DOGJMYAILGIJBD-NKKGCODLSA-N 0 1 267.376 2.821 20 30 CFEDMN CN(CCc1cscn1)Cc1cc(C#N)cs1 ZINC000933772372 617775339 /nfs/dbraw/zinc/77/53/39/617775339.db2.gz PHQJKKRXRIZSBX-UHFFFAOYSA-N 0 1 263.391 2.751 20 30 CFEDMN N#Cc1ccc(NCCCCN2CCOCC2)c(Cl)c1 ZINC000891854465 617788341 /nfs/dbraw/zinc/78/83/41/617788341.db2.gz FPWFZNCAYGYFAV-UHFFFAOYSA-N 0 1 293.798 2.736 20 30 CFEDMN CC[C@H](NCC#CCOC)c1cc(F)ccc1OC ZINC000932471808 617789295 /nfs/dbraw/zinc/78/92/95/617789295.db2.gz DFIFKWUCJMGPHE-AWEZNQCLSA-N 0 1 265.328 2.525 20 30 CFEDMN C[C@@H]1CC[C@@H](CC(=O)[C@H](C#N)C(=O)NC2CCCC2)C1 ZINC000247692067 617891216 /nfs/dbraw/zinc/89/12/16/617891216.db2.gz STSWHJPTIZNCEX-BZPMIXESSA-N 0 1 276.380 2.580 20 30 CFEDMN CCCCCCCC(=O)N[C@H](C)c1n[nH]c(C)n1 ZINC000804815662 617896967 /nfs/dbraw/zinc/89/69/67/617896967.db2.gz XHCBEVLBOYONPA-SNVBAGLBSA-N 0 1 252.362 2.651 20 30 CFEDMN C=CCCCN(CC)C(=O)c1cc([C@@H]2CCCN2C)n[nH]1 ZINC000890809508 617908156 /nfs/dbraw/zinc/90/81/56/617908156.db2.gz WNUYDPZUKYWWLN-HNNXBMFYSA-N 0 1 290.411 2.605 20 30 CFEDMN CNC(=O)c1ccc(/C=C\C(=O)c2ccccc2O)cc1 ZINC000255449760 617938749 /nfs/dbraw/zinc/93/87/49/617938749.db2.gz UHPLFCZGSZKTJR-FLIBITNWSA-N 0 1 281.311 2.648 20 30 CFEDMN C[C@@H](NCC1(CC#N)CC1)c1cnnn1-c1ccccc1 ZINC000926345926 617942157 /nfs/dbraw/zinc/94/21/57/617942157.db2.gz SOFUMPAPYNQQCD-CYBMUJFWSA-N 0 1 281.363 2.612 20 30 CFEDMN CCC(=O)NC1C[C@H]2CC[C@@H](C1)N2CC#Cc1ccccc1 ZINC001021159580 617951460 /nfs/dbraw/zinc/95/14/60/617951460.db2.gz JBWDXTCKGVQDDF-AYHJJNSGSA-N 0 1 296.414 2.560 20 30 CFEDMN Oc1cc(Br)cnc1C=NOC1CCCC1 ZINC000901209906 620765275 /nfs/dbraw/zinc/76/52/75/620765275.db2.gz CCTBLZKWNXFCDX-UHFFFAOYSA-N 0 1 285.141 2.843 20 30 CFEDMN C[C@H]1C(N=Nc2ccnn2C)CCCN1Cc1ccccc1 ZINC000901221002 620766759 /nfs/dbraw/zinc/76/67/59/620766759.db2.gz NRGMITCFRYDSCX-AWEZNQCLSA-N 0 1 297.406 2.873 20 30 CFEDMN Fc1cccc(NN=Cc2cnn(CC3CCC3)c2)n1 ZINC000901236725 620769482 /nfs/dbraw/zinc/76/94/82/620769482.db2.gz HRERYPMORPWJHL-UHFFFAOYSA-N 0 1 273.315 2.663 20 30 CFEDMN Cc1cc2ccccc2nc1NN=Cc1cnccn1 ZINC000807980580 618025097 /nfs/dbraw/zinc/02/50/97/618025097.db2.gz SGBFNNASOPHWOY-UHFFFAOYSA-N 0 1 263.304 2.779 20 30 CFEDMN Cc1nc([C@@H](C)OC(=O)C[C@@H](CC#N)c2ccccc2)n[nH]1 ZINC000840540163 618027308 /nfs/dbraw/zinc/02/73/08/618027308.db2.gz QIESHFKGTLKGSQ-BXUZGUMPSA-N 0 1 298.346 2.805 20 30 CFEDMN Cc1nc(Br)c(C=NN[C@@H](C)C(C)(C)C)[nH]1 ZINC000901246988 620771506 /nfs/dbraw/zinc/77/15/06/620771506.db2.gz WGQYHXFOHGTFLC-ZETCQYMHSA-N 0 1 287.205 2.839 20 30 CFEDMN C=CC[C@@H]1CCN1CC(=O)NC1(c2ccccc2)CCC1 ZINC000934469284 618044849 /nfs/dbraw/zinc/04/48/49/618044849.db2.gz RWVDWUTYSCBHIQ-MRXNPFEDSA-N 0 1 284.403 2.832 20 30 CFEDMN C=CC[C@@H]1CCN1[C@@H](C)C(=O)N(C)Cc1cccc(F)c1 ZINC000934470142 618045802 /nfs/dbraw/zinc/04/58/02/618045802.db2.gz BJQILOYPWZHCLZ-XJKSGUPXSA-N 0 1 290.382 2.823 20 30 CFEDMN C=CC[C@@H]1CCN1[C@H](C)C(=O)N(C)Cc1cccc(F)c1 ZINC000934470140 618046233 /nfs/dbraw/zinc/04/62/33/618046233.db2.gz BJQILOYPWZHCLZ-CZUORRHYSA-N 0 1 290.382 2.823 20 30 CFEDMN C=CC[C@H]1CC[N@@H+]1CCOc1cccc([N+](=O)[O-])c1 ZINC000934470626 618046355 /nfs/dbraw/zinc/04/63/55/618046355.db2.gz OWLHSHDXTSWIPI-LBPRGKRZSA-N 0 1 262.309 2.624 20 30 CFEDMN C=CC[C@@H]1CCN1CC(=O)N1CCC[C@@H]2CCCC[C@H]21 ZINC000934471632 618046688 /nfs/dbraw/zinc/04/66/88/618046688.db2.gz MMOBSKAQXRGIOO-ARFHVFGLSA-N 0 1 276.424 2.818 20 30 CFEDMN C[C@]1(C2CC2)COCCN1Cc1ccc(CC#N)cc1 ZINC000934479147 618050639 /nfs/dbraw/zinc/05/06/39/618050639.db2.gz PQSWHASNVGRYCE-QGZVFWFLSA-N 0 1 270.376 2.754 20 30 CFEDMN COc1ccc(NN=C(C)c2ccnn2CC2CCC2)nc1 ZINC000901226439 620773713 /nfs/dbraw/zinc/77/37/13/620773713.db2.gz ACGHGDLNZWZERZ-UHFFFAOYSA-N 0 1 299.378 2.923 20 30 CFEDMN CC(C)Cc1ccc(C=NNc2ccc(C#N)cn2)cn1 ZINC000901276849 620775321 /nfs/dbraw/zinc/77/53/21/620775321.db2.gz WIJMAVKQRKSLFL-UHFFFAOYSA-N 0 1 279.347 2.993 20 30 CFEDMN C#Cc1ccc(NC(=O)[C@H]2CCN2C2CCCC2)cc1 ZINC000891313623 618121426 /nfs/dbraw/zinc/12/14/26/618121426.db2.gz SVVMSNNWCOHYLQ-MRXNPFEDSA-N 0 1 268.360 2.623 20 30 CFEDMN C[C@H](NCC[S@@](=O)C(C)(C)C)c1ccc(C#N)cc1F ZINC000781420491 618147724 /nfs/dbraw/zinc/14/77/24/618147724.db2.gz AQVMGFDHOHKHEP-PRWKNARSSA-N 0 1 296.411 2.895 20 30 CFEDMN CCc1nnc(SCCCOc2ccc(C#N)cc2)[nH]1 ZINC000077901877 618194888 /nfs/dbraw/zinc/19/48/88/618194888.db2.gz USWUKMFZGBNFQF-UHFFFAOYSA-N 0 1 288.376 2.800 20 30 CFEDMN CCc1n[nH]c(SCCCOc2ccc(C#N)cc2)n1 ZINC000077901877 618194890 /nfs/dbraw/zinc/19/48/90/618194890.db2.gz USWUKMFZGBNFQF-UHFFFAOYSA-N 0 1 288.376 2.800 20 30 CFEDMN C=CCCCN1CCO[C@@H]([C@H](C)NC(=O)OC(C)(C)C)C1 ZINC000158811141 618197599 /nfs/dbraw/zinc/19/75/99/618197599.db2.gz KNVYXCUUQZLNGG-UONOGXRCSA-N 0 1 298.427 2.567 20 30 CFEDMN N#Cc1ccc(O)c(NC(=O)/C=C\c2cccs2)c1 ZINC000255325815 618198164 /nfs/dbraw/zinc/19/81/64/618198164.db2.gz LWCZNVVUOLVKID-XQRVVYSFSA-N 0 1 270.313 2.977 20 30 CFEDMN CCn1nc(C)c(/C=C\C(=O)c2ccc(O)cc2O)c1C ZINC000255327429 618198511 /nfs/dbraw/zinc/19/85/11/618198511.db2.gz MECMSNTZDJVWAR-FPLPWBNLSA-N 0 1 286.331 2.827 20 30 CFEDMN CN(C)c1ccc(C(=O)Nc2cc(C#N)ccc2O)cc1 ZINC000176832688 618210214 /nfs/dbraw/zinc/21/02/14/618210214.db2.gz OYGXMMWJRKQQSB-UHFFFAOYSA-N 0 1 281.315 2.582 20 30 CFEDMN Cc1cccc(CC(=O)Nc2cc(C#N)ccc2O)c1 ZINC000176833848 618210271 /nfs/dbraw/zinc/21/02/71/618210271.db2.gz WIKXIVUPMKUDIF-UHFFFAOYSA-N 0 1 266.300 2.754 20 30 CFEDMN N#Cc1cc(F)ccc1CNC1([C@H]2CCCCO2)CC1 ZINC000933377560 618215012 /nfs/dbraw/zinc/21/50/12/618215012.db2.gz KQNXHDWQMRHLNX-OAHLLOKOSA-N 0 1 274.339 2.889 20 30 CFEDMN Cc1cc(C#N)cc(C)c1CN(C)Cc1cccc(=O)[nH]1 ZINC000933405897 618222203 /nfs/dbraw/zinc/22/22/03/618222203.db2.gz MZUVVTGVNUVDDI-UHFFFAOYSA-N 0 1 281.359 2.908 20 30 CFEDMN C=CC(C)(C)NC(=O)NC[C@H](c1ccco1)N(CC)CC ZINC000892413147 618232467 /nfs/dbraw/zinc/23/24/67/618232467.db2.gz ORVQWXOYFGYFHA-CYBMUJFWSA-N 0 1 293.411 2.926 20 30 CFEDMN C[C@H](CCC#N)CN1CCc2nc[nH]c2C12CCC2 ZINC000895069088 618255156 /nfs/dbraw/zinc/25/51/56/618255156.db2.gz PTTRQJSYOICJPB-GFCCVEGCSA-N 0 1 258.369 2.587 20 30 CFEDMN C#C[C@@H](NCc1ccc(Cl)c(C)c1)[C@H]1CCCO1 ZINC000775352276 618255952 /nfs/dbraw/zinc/25/59/52/618255952.db2.gz WGQMHFSNEXQYQU-HUUCEWRRSA-N 0 1 263.768 2.919 20 30 CFEDMN C[C@@H]1CO[C@H](C(=O)C(C#N)c2nc3ccccc3s2)C1 ZINC000892428156 618256753 /nfs/dbraw/zinc/25/67/53/618256753.db2.gz ZTEDXTYLRKOMOB-UMNHJUIQSA-N 0 1 286.356 2.898 20 30 CFEDMN Fc1ccc(F)c(NN=Cc2cn(C3CCC3)nn2)c1 ZINC000901321270 620791049 /nfs/dbraw/zinc/79/10/49/620791049.db2.gz WLOCOYWMZXLVKS-UHFFFAOYSA-N 0 1 277.278 2.727 20 30 CFEDMN C[C@@H]1CSCCN(Cc2csc(C#N)c2)C1 ZINC000894010826 618267957 /nfs/dbraw/zinc/26/79/57/618267957.db2.gz ZFHAKRQDUWKIHB-JTQLQIEISA-N 0 1 252.408 2.805 20 30 CFEDMN C=CCN1CCCC[C@H]1CNC(=O)C1CCCCC1 ZINC001024305406 618288518 /nfs/dbraw/zinc/28/85/18/618288518.db2.gz PWAYLSGADYKOKC-HNNXBMFYSA-N 0 1 264.413 2.723 20 30 CFEDMN C=CCN1CCCC[C@@H]1CNC(=O)c1cc(C)c(C)o1 ZINC001024386493 618304767 /nfs/dbraw/zinc/30/47/67/618304767.db2.gz FXGDRBPZPQMDPX-CQSZACIVSA-N 0 1 276.380 2.667 20 30 CFEDMN C=C(C)CN1CCCC[C@@H]1CNC(=O)c1csnc1C ZINC001024395499 618308094 /nfs/dbraw/zinc/30/80/94/618308094.db2.gz AZYKIJJFGRGFHX-CYBMUJFWSA-N 0 1 293.436 2.612 20 30 CFEDMN C#CCCCOC(=O)c1[nH]c(-c2ccccc2)nc1C ZINC000727039095 618322962 /nfs/dbraw/zinc/32/29/62/618322962.db2.gz KBTXRJMRBGVKQZ-UHFFFAOYSA-N 0 1 268.316 2.955 20 30 CFEDMN C=CCN1CCCC[C@H]1CNC(=O)C12CCC(CC1)C2 ZINC001024511833 618341969 /nfs/dbraw/zinc/34/19/69/618341969.db2.gz JNOHXLOJDBHKEK-CKDBGZEDSA-N 0 1 276.424 2.723 20 30 CFEDMN COc1cc(C)sc1C(=O)Nc1cc(C#N)ccc1O ZINC000179735227 618343275 /nfs/dbraw/zinc/34/32/75/618343275.db2.gz WVHZHPKIAQDIPV-UHFFFAOYSA-N 0 1 288.328 2.895 20 30 CFEDMN C=CC[N@@H+](CC(=O)[O-])Cc1cccc(OC(C)C)c1 ZINC000092469733 618349972 /nfs/dbraw/zinc/34/99/72/618349972.db2.gz XDYQZFJGGYGKAE-UHFFFAOYSA-N 0 1 263.337 2.546 20 30 CFEDMN CCc1cccc(F)c1C=NNc1cc(C)ncn1 ZINC000794510595 618356726 /nfs/dbraw/zinc/35/67/26/618356726.db2.gz UNJUZAQDABCBID-UHFFFAOYSA-N 0 1 258.300 2.933 20 30 CFEDMN N#CC(C(=O)C[C@H]1CCC2(CCC2)O1)c1ccccn1 ZINC000892483244 618359778 /nfs/dbraw/zinc/35/97/78/618359778.db2.gz LNQORONLDACWCJ-CHWSQXEVSA-N 0 1 270.332 2.750 20 30 CFEDMN C=CCN1CCCC[C@H]1CNC(=O)[C@H]1CCC1(C)C ZINC001024596806 618405238 /nfs/dbraw/zinc/40/52/38/618405238.db2.gz KFZWZFJXAKBLMO-UONOGXRCSA-N 0 1 264.413 2.579 20 30 CFEDMN CC(=[NH+]Nc1ccc(C(=O)[O-])cc1)c1ccc(N)cc1 ZINC000254879761 618411232 /nfs/dbraw/zinc/41/12/32/618411232.db2.gz QJMVYYJGFTWDCS-UHFFFAOYSA-N 0 1 269.304 2.803 20 30 CFEDMN C=CCN1CCCC[C@@H]1CNC(=O)c1ccc2[nH]ccc2c1 ZINC001024630236 618425438 /nfs/dbraw/zinc/42/54/38/618425438.db2.gz LMCKKUSYNJOCMJ-MRXNPFEDSA-N 0 1 297.402 2.938 20 30 CFEDMN C=CCN1CCCC[C@@H]1CNC(=O)c1cc[nH]c1C1CC1 ZINC001024625738 618425764 /nfs/dbraw/zinc/42/57/64/618425764.db2.gz UAMASMCRRRUXJH-CQSZACIVSA-N 0 1 287.407 2.662 20 30 CFEDMN C=CCN1CCCC[C@@H]1CNC(=O)C1CCC(=C)CC1 ZINC001024634750 618427989 /nfs/dbraw/zinc/42/79/89/618427989.db2.gz XMVYJMWLDMRDSX-MRXNPFEDSA-N 0 1 276.424 2.890 20 30 CFEDMN C=CCC1(C(=O)OC[C@H]2CN(CC(C)C)CCO2)CCC1 ZINC000192233044 618429479 /nfs/dbraw/zinc/42/94/79/618429479.db2.gz XUOGTURHKTXEPG-OAHLLOKOSA-N 0 1 295.423 2.633 20 30 CFEDMN C=CC[N@H+]1CCCC[C@H]1CNC(=O)[C@@H]1CC12CCCC2 ZINC001024744771 618459199 /nfs/dbraw/zinc/45/91/99/618459199.db2.gz FLVHWUCJLXCKRB-GJZGRUSLSA-N 0 1 276.424 2.723 20 30 CFEDMN C=CCN1CCCC[C@H]1CNC(=O)[C@@H]1CC12CCCC2 ZINC001024744771 618459203 /nfs/dbraw/zinc/45/92/03/618459203.db2.gz FLVHWUCJLXCKRB-GJZGRUSLSA-N 0 1 276.424 2.723 20 30 CFEDMN C#CCOc1ccccc1CNCc1cnccc1C ZINC000162691160 618459582 /nfs/dbraw/zinc/45/95/82/618459582.db2.gz WIOOCEHFXRKZGZ-UHFFFAOYSA-N 0 1 266.344 2.692 20 30 CFEDMN CC#CCN1CCCC[C@H]1CNC(=O)c1cccc(C)c1C ZINC001024785758 618469618 /nfs/dbraw/zinc/46/96/18/618469618.db2.gz ORYMUCKYOYKSEN-KRWDZBQOSA-N 0 1 298.430 2.911 20 30 CFEDMN C=CCN1CCCC[C@@H]1CNC(=O)c1ccc(F)cc1F ZINC001024786683 618469647 /nfs/dbraw/zinc/46/96/47/618469647.db2.gz NQFVQFAGDRLTEQ-CYBMUJFWSA-N 0 1 294.345 2.735 20 30 CFEDMN N#C[C@@H]1CCCN(CCCCC2CCOCC2)C1 ZINC000310675296 618472268 /nfs/dbraw/zinc/47/22/68/618472268.db2.gz MQMBXRCKWSINKQ-HNNXBMFYSA-N 0 1 250.386 2.819 20 30 CFEDMN Cc1ccc([N-]N=C2C(=O)Nc3cccc(Cl)c32)[nH+]c1 ZINC000727260260 618475937 /nfs/dbraw/zinc/47/59/37/618475937.db2.gz UQCJERLKBKYABW-UHFFFAOYSA-N 0 1 286.722 2.812 20 30 CFEDMN COc1cc(CN=Nc2ccc(C)cn2)ccc1OCC#N ZINC000727260523 618477289 /nfs/dbraw/zinc/47/72/89/618477289.db2.gz XDYCIRDUFQXVMX-UHFFFAOYSA-N 0 1 296.330 2.747 20 30 CFEDMN C#Cc1cccc(NC(=S)NCCCc2cn[nH]c2C)c1 ZINC000726455528 618479314 /nfs/dbraw/zinc/47/93/14/618479314.db2.gz NWVCFZZEXWHNKO-UHFFFAOYSA-N 0 1 298.415 2.619 20 30 CFEDMN COc1cccc2cc(CN=Nc3cncnc3)oc21 ZINC000794978125 618500031 /nfs/dbraw/zinc/50/00/31/618500031.db2.gz AOMCTXHOOOZSKM-UHFFFAOYSA-N 0 1 268.276 2.677 20 30 CFEDMN C=C1CCC(C(=O)N2CCN(CC(C)C)CC2)CC1 ZINC000895407654 618571339 /nfs/dbraw/zinc/57/13/39/618571339.db2.gz WKGXBDYTLLDABM-UHFFFAOYSA-N 0 1 264.413 2.533 20 30 CFEDMN CC(C)(C)OC(=O)N[C@H]1C[C@@H](CN2CC[C@@](C)(C#N)C2)C1 ZINC000895450233 618592513 /nfs/dbraw/zinc/59/25/13/618592513.db2.gz DPCSYWWGZXKAIJ-ZENOOKHLSA-N 0 1 293.411 2.525 20 30 CFEDMN CN(Cc1csc(C#N)c1)CC1=CCSC1 ZINC000895465057 618600164 /nfs/dbraw/zinc/60/01/64/618600164.db2.gz HDNJZRSBWACBHR-UHFFFAOYSA-N 0 1 250.392 2.725 20 30 CFEDMN CCn1cc(CN[C@@H](C)c2ccc(C#N)cc2)c(C)n1 ZINC000892521153 618606184 /nfs/dbraw/zinc/60/61/84/618606184.db2.gz KWKLUQKETSIXKH-LBPRGKRZSA-N 0 1 268.364 2.934 20 30 CFEDMN C#CCCN1C[C@H]2CC[C@@H](C1)N2C(=O)C[C@@H]1CCC[C@@H]1C ZINC001017577202 618666011 /nfs/dbraw/zinc/66/60/11/618666011.db2.gz HCACFCJAQAJQAO-LUKYLMHMSA-N 0 1 288.435 2.511 20 30 CFEDMN C#CCCN1C[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1CCCC[C@H]1C ZINC001017860988 618674649 /nfs/dbraw/zinc/67/46/49/618674649.db2.gz MIJJKOPHMBXSNP-NCOADZHNSA-N 0 1 288.435 2.511 20 30 CFEDMN C#CCCN1CCC[C@H](NC(=O)c2sc(C)cc2C)C1 ZINC001007427156 618681481 /nfs/dbraw/zinc/68/14/81/618681481.db2.gz HOMBFUOVZVOATN-AWEZNQCLSA-N 0 1 290.432 2.582 20 30 CFEDMN N#Cc1ccc(N2CC[C@H](N3CC=CC3)C2)c(Cl)c1 ZINC000892678830 618700983 /nfs/dbraw/zinc/70/09/83/618700983.db2.gz HXIXSFAHWGYORZ-ZDUSSCGKSA-N 0 1 273.767 2.662 20 30 CFEDMN C=C(C)CN1CCC[C@H](NC(=O)[C@H]2CCCC23CC3)C1 ZINC001007619380 618717671 /nfs/dbraw/zinc/71/76/71/618717671.db2.gz RCUJSVAACWZNSE-LSDHHAIUSA-N 0 1 276.424 2.723 20 30 CFEDMN C=CCN1CCC[C@H](NC(=O)Cc2ccccc2CC)C1 ZINC001007620464 618717899 /nfs/dbraw/zinc/71/78/99/618717899.db2.gz QPDBJJHBDGCOMB-KRWDZBQOSA-N 0 1 286.419 2.558 20 30 CFEDMN C=CCN1CCC[C@@H](NC(=O)Cc2ccccc2CC)C1 ZINC001007620465 618718089 /nfs/dbraw/zinc/71/80/89/618718089.db2.gz QPDBJJHBDGCOMB-QGZVFWFLSA-N 0 1 286.419 2.558 20 30 CFEDMN CCc1nc([C@H](C)Nc2cc(C)cc(F)c2C#N)n[nH]1 ZINC000893038025 618810881 /nfs/dbraw/zinc/81/08/81/618810881.db2.gz QCZPNHTUSSUOSK-VIFPVBQESA-N 0 1 273.315 2.859 20 30 CFEDMN C#C[C@@H](CC)NCc1cccc(Br)c1OC ZINC000309721496 618912417 /nfs/dbraw/zinc/91/24/17/618912417.db2.gz WDONZZAWMMGIHU-NSHDSACASA-N 0 1 282.181 2.959 20 30 CFEDMN CC(C)c1nc([C@@H](C)NCC#Cc2ccccc2)n[nH]1 ZINC000893265934 618916119 /nfs/dbraw/zinc/91/61/19/618916119.db2.gz XOBFONOATHXZOA-CYBMUJFWSA-N 0 1 268.364 2.630 20 30 CFEDMN C=C(C)C[N@H+]1CCC[C@@H](NC(=O)c2cccc(F)c2)C1 ZINC001006624150 618917386 /nfs/dbraw/zinc/91/73/86/618917386.db2.gz JEKIAWACEASMPF-OAHLLOKOSA-N 0 1 276.355 2.596 20 30 CFEDMN C=C(C)CN1CCC[C@@H](NC(=O)c2cccc(F)c2)C1 ZINC001006624150 618917388 /nfs/dbraw/zinc/91/73/88/618917388.db2.gz JEKIAWACEASMPF-OAHLLOKOSA-N 0 1 276.355 2.596 20 30 CFEDMN CO[C@H](CN[C@@H](C)c1ccc(C#N)c(F)c1)C(F)(F)F ZINC000777011653 618941607 /nfs/dbraw/zinc/94/16/07/618941607.db2.gz NMYXRJWJJBFKHQ-QPUJVOFHSA-N 0 1 290.260 2.925 20 30 CFEDMN C=CCN1CCC[C@@H](NC(=O)[C@@H]2CC3CCC2CC3)C1 ZINC001009634054 619004815 /nfs/dbraw/zinc/00/48/15/619004815.db2.gz IRFZNFFAABHIPZ-QDIHITRGSA-N 0 1 276.424 2.579 20 30 CFEDMN C#CCC[N@@H+]1CCC[C@@H](NC(=O)C2(C)CCC(C)CC2)C1 ZINC001009691469 619013774 /nfs/dbraw/zinc/01/37/74/619013774.db2.gz MYYSDWLHCCOVBW-UPTPFMHGSA-N 0 1 290.451 2.807 20 30 CFEDMN C=CCN1CCC[C@H](NC(=O)C23CC(C(C)(C)C)(C2)C3)C1 ZINC001009703550 619015564 /nfs/dbraw/zinc/01/55/64/619015564.db2.gz QSVPQPFAXHJMME-NNGSBXSVSA-N 0 1 290.451 2.969 20 30 CFEDMN Cc1nnsc1[C@H](C)N(C)CCc1cccc(C#N)c1 ZINC000931508402 619016034 /nfs/dbraw/zinc/01/60/34/619016034.db2.gz DJDLTFXCKKGTNN-LBPRGKRZSA-N 0 1 286.404 2.954 20 30 CFEDMN N#CCSCCCN1CCS[C@@H](C(F)(F)F)C1 ZINC000932078694 619186582 /nfs/dbraw/zinc/18/65/82/619186582.db2.gz LYLOWJJYGUDAMS-SECBINFHSA-N 0 1 284.372 2.613 20 30 CFEDMN CC[C@]1(CO)CCCN(Cc2csc(C#N)c2)C1 ZINC000893717171 619200952 /nfs/dbraw/zinc/20/09/52/619200952.db2.gz OGUVYENRNBNJLS-AWEZNQCLSA-N 0 1 264.394 2.604 20 30 CFEDMN C#CCN1CCC(NC(=O)Nc2cscc2Cl)CC1 ZINC000932243160 619209912 /nfs/dbraw/zinc/20/99/12/619209912.db2.gz JCOCXZFBLDJARL-UHFFFAOYSA-N 0 1 297.811 2.621 20 30 CFEDMN C=CCCCN(CC)C(=O)N[C@@H](C)Cc1cc(C)[nH]n1 ZINC000893745586 619214772 /nfs/dbraw/zinc/21/47/72/619214772.db2.gz HZHPQTZBJPBBQY-LBPRGKRZSA-N 0 1 278.400 2.647 20 30 CFEDMN C=CCC[C@@H](NC(=O)NCc1n[nH]c(C)n1)c1ccccc1 ZINC000893767837 619217630 /nfs/dbraw/zinc/21/76/30/619217630.db2.gz ISTAEQHEKCLPBV-CQSZACIVSA-N 0 1 299.378 2.620 20 30 CFEDMN C#CCOc1ccc(NC(=O)[C@@H]2CCCC[N@@H+]2CC)cc1 ZINC000108291176 619283665 /nfs/dbraw/zinc/28/36/65/619283665.db2.gz YTKJQCIFGGPPMG-INIZCTEOSA-N 0 1 286.375 2.512 20 30 CFEDMN C#CCOc1ccc(NC(=O)[C@@H]2CCCCN2CC)cc1 ZINC000108291176 619283666 /nfs/dbraw/zinc/28/36/66/619283666.db2.gz YTKJQCIFGGPPMG-INIZCTEOSA-N 0 1 286.375 2.512 20 30 CFEDMN N#Cc1cc(CN2CCC[C@H]2[C@@H]2CCCO2)cs1 ZINC000894293171 619312264 /nfs/dbraw/zinc/31/22/64/619312264.db2.gz HFCQFHKSLYHAIF-KBPBESRZSA-N 0 1 262.378 2.763 20 30 CFEDMN Cc1[nH]ncc1CN(C)c1cc(C)cc(F)c1C#N ZINC000894357130 619348430 /nfs/dbraw/zinc/34/84/30/619348430.db2.gz RJIFNVYGDLDBTF-UHFFFAOYSA-N 0 1 258.300 2.674 20 30 CFEDMN COc1cc(CNCc2cnc(F)cc2C)ccc1C#N ZINC000894540554 619413917 /nfs/dbraw/zinc/41/39/17/619413917.db2.gz AAPASFKJIMUNIN-UHFFFAOYSA-N 0 1 285.322 2.699 20 30 CFEDMN Cc1cc(F)c(C#N)c(N2CCCc3[nH]ncc3C2)c1 ZINC000894658108 619434423 /nfs/dbraw/zinc/43/44/23/619434423.db2.gz IOOBUINVUXGXED-UHFFFAOYSA-N 0 1 270.311 2.682 20 30 CFEDMN C#C[C@@H](C)NCc1ccc(C(=O)OC)cc1C(F)(F)F ZINC000894738351 619455238 /nfs/dbraw/zinc/45/52/38/619455238.db2.gz SEADIELIGGPFID-SECBINFHSA-N 0 1 285.265 2.603 20 30 CFEDMN C#CCN(Cc1n[nH]c(C)c1C)Cc1ccccc1 ZINC000894757564 619458706 /nfs/dbraw/zinc/45/87/06/619458706.db2.gz WSJMIRBKLFSJRM-UHFFFAOYSA-N 0 1 253.349 2.662 20 30 CFEDMN C#CCN1CCC(Nc2cc(C)nc(C3CCC3)n2)CC1 ZINC000895811112 619611362 /nfs/dbraw/zinc/61/13/62/619611362.db2.gz NJTVKCKHIAROAY-UHFFFAOYSA-N 0 1 284.407 2.562 20 30 CFEDMN C#CCN(Cc1ccc2cnccc2c1)C1CSC1 ZINC000895814832 619613775 /nfs/dbraw/zinc/61/37/75/619613775.db2.gz ZIPKBIXHJFWTJY-UHFFFAOYSA-N 0 1 268.385 2.785 20 30 CFEDMN C=CCC1(O)CCN(Cc2c(C3CCC3)cnn2C)CC1 ZINC000895834231 619619813 /nfs/dbraw/zinc/61/98/13/619619813.db2.gz HZVFMHBUZSXPAA-UHFFFAOYSA-N 0 1 289.423 2.591 20 30 CFEDMN C=CC(C)(C)NC(=O)NC[C@H]1CCN1Cc1ccccc1 ZINC000895897997 619629892 /nfs/dbraw/zinc/62/98/92/619629892.db2.gz YHQMYMQCDUFKMS-OAHLLOKOSA-N 0 1 287.407 2.525 20 30 CFEDMN CC1(C)CC[C@H](CO)N(Cc2csc(C#N)c2)C1 ZINC000895921983 619634729 /nfs/dbraw/zinc/63/47/29/619634729.db2.gz DWWXEOGNDXGMRL-GFCCVEGCSA-N 0 1 264.394 2.603 20 30 CFEDMN N#Cc1cccc(CN2C[C@@H]3C[C@]3(c3ccccc3)C2)n1 ZINC000896230321 619697773 /nfs/dbraw/zinc/69/77/73/619697773.db2.gz DMSXSCPIIZBCMH-MAUKXSAKSA-N 0 1 275.355 2.727 20 30 CFEDMN N#C[C@@H]1CCCN(C[C@H]2CCN(c3ccccc3)C2)C1 ZINC000896502259 619751438 /nfs/dbraw/zinc/75/14/38/619751438.db2.gz WFBYMAOLNFHZFB-JKSUJKDBSA-N 0 1 269.392 2.748 20 30 CFEDMN N#C[C@H]1CCCN(Cc2c(O)ccc(Cl)c2F)C1 ZINC000896503784 619751816 /nfs/dbraw/zinc/75/18/16/619751816.db2.gz NNXKQFZIVISBPC-SECBINFHSA-N 0 1 268.719 2.920 20 30 CFEDMN Cc1cc(C#N)cc(C)c1C(=O)N[C@@H]1CCCc2cn[nH]c21 ZINC000896786182 619815078 /nfs/dbraw/zinc/81/50/78/619815078.db2.gz VCYNUCZUAGPNDQ-CQSZACIVSA-N 0 1 294.358 2.706 20 30 CFEDMN CCCC(=O)N1CCC(N(C)Cc2ccccc2C#N)CC1 ZINC000985213486 619930060 /nfs/dbraw/zinc/93/00/60/619930060.db2.gz PZWFGAXGCUZBAB-UHFFFAOYSA-N 0 1 299.418 2.781 20 30 CFEDMN C=C(Cl)CN(C)C1CCN(C(=O)C=C2CCC2)CC1 ZINC000985370664 619965079 /nfs/dbraw/zinc/96/50/79/619965079.db2.gz KVKAACXQIKSFJJ-UHFFFAOYSA-N 0 1 282.815 2.772 20 30 CFEDMN C=C(Cl)CN(C)C1CCN(C(=O)[C@@H](F)C(C)C)CC1 ZINC000985589974 620008223 /nfs/dbraw/zinc/00/82/23/620008223.db2.gz OUZGYJPLYZQMSK-ZDUSSCGKSA-N 0 1 290.810 2.656 20 30 CFEDMN N#CC[C@H](NC(=O)CC(F)(F)C(F)(F)F)C(F)(F)F ZINC000928801177 620014622 /nfs/dbraw/zinc/01/46/22/620014622.db2.gz UKDVBFDPXVRIQH-BYPYZUCNSA-N 0 1 298.133 2.535 20 30 CFEDMN C=CCC[C@H](CO)NCc1nc(C(C)(C)C)cs1 ZINC000320790216 620033178 /nfs/dbraw/zinc/03/31/78/620033178.db2.gz SYISDFHYLAVLSH-LLVKDONJSA-N 0 1 268.426 2.857 20 30 CFEDMN C=C(Cl)CN[C@@H]1CCN(C(=O)c2cccc(C)c2)[C@H]1C ZINC000985918567 620052329 /nfs/dbraw/zinc/05/23/29/620052329.db2.gz ZEJBWEFSZTWSBE-DZGCQCFKSA-N 0 1 292.810 2.940 20 30 CFEDMN C=C(Cl)CN[C@H]1CCN(C(=O)CCC2CC2)[C@@H]1C ZINC000986073908 620062537 /nfs/dbraw/zinc/06/25/37/620062537.db2.gz YGGHTHLAHZDUNJ-YPMHNXCESA-N 0 1 270.804 2.508 20 30 CFEDMN C=C(Cl)CN[C@H]1CCN(C(=O)c2ccc(CC)o2)[C@@H]1C ZINC000986431443 620080962 /nfs/dbraw/zinc/08/09/62/620080962.db2.gz IATSVBJVDFLECW-YPMHNXCESA-N 0 1 296.798 2.787 20 30 CFEDMN C#Cc1cccc(NC(=O)CN(C)C[C@H](C)CCC)c1 ZINC000179793765 620090738 /nfs/dbraw/zinc/09/07/38/620090738.db2.gz BWLDBEJGVIGLSP-CQSZACIVSA-N 0 1 272.392 2.974 20 30 CFEDMN CC(=NNCCC(C)(C)C)c1ccc(N)c([N+](=O)[O-])c1 ZINC000799113317 620105129 /nfs/dbraw/zinc/10/51/29/620105129.db2.gz LVVINRIWZIDJHF-UHFFFAOYSA-N 0 1 278.356 2.927 20 30 CFEDMN C=CCC(C)(C)C(=O)Nc1cc(C(=O)OC(C)C)[nH]n1 ZINC000888119220 620122513 /nfs/dbraw/zinc/12/25/13/620122513.db2.gz XJMXDIKUOYIGSL-UHFFFAOYSA-N 0 1 279.340 2.516 20 30 CFEDMN C=C1CCC(C(=O)Nc2cc(C(=O)OC(C)C)[nH]n2)CC1 ZINC000888120441 620123045 /nfs/dbraw/zinc/12/30/45/620123045.db2.gz MPSVVECZTWKDEA-UHFFFAOYSA-N 0 1 291.351 2.660 20 30 CFEDMN C=CCC(CC=C)C(=O)Nc1n[nH]c(C(=O)OCC)c1C ZINC000888131846 620125339 /nfs/dbraw/zinc/12/53/39/620125339.db2.gz CLVQUPPRLSKMKG-UHFFFAOYSA-N 0 1 291.351 2.602 20 30 CFEDMN C=C1CCC(C(=O)Nc2n[nH]c(C(=O)OCC)c2C)CC1 ZINC000888135044 620126639 /nfs/dbraw/zinc/12/66/39/620126639.db2.gz ILOLJAJVKLXAKO-UHFFFAOYSA-N 0 1 291.351 2.580 20 30 CFEDMN C=C(Cl)CN[C@H]1CCN(C(=O)c2ccc(C)cc2)[C@@H]1C ZINC000987402241 620133099 /nfs/dbraw/zinc/13/30/99/620133099.db2.gz FBVHRLNBEAAPHJ-HIFRSBDPSA-N 0 1 292.810 2.940 20 30 CFEDMN C=C(Cl)CN[C@H]1C[C@@H](C)N(C(=O)c2ccccc2)C1 ZINC000987856134 620156886 /nfs/dbraw/zinc/15/68/86/620156886.db2.gz LWLVDTLKZLIJAW-OCCSQVGLSA-N 0 1 278.783 2.632 20 30 CFEDMN C=C(Cl)CN[C@H]1C[C@H](C)N(C(=O)CCC2CCC2)C1 ZINC000988516694 620197155 /nfs/dbraw/zinc/19/71/55/620197155.db2.gz YZXLPNDULMMLNB-JSGCOSHPSA-N 0 1 284.831 2.898 20 30 CFEDMN C=C(Cl)CN[C@H]1C[C@H](C)N(C(=O)c2ccoc2CC)C1 ZINC000988757878 620220641 /nfs/dbraw/zinc/22/06/41/620220641.db2.gz JPIVHHQJCOOSJB-RYUDHWBXSA-N 0 1 296.798 2.787 20 30 CFEDMN C=C(Cl)CN[C@@H]1C[C@H](C)N(C(=O)c2[nH]c(C)cc2C)C1 ZINC000989045099 620230179 /nfs/dbraw/zinc/23/01/79/620230179.db2.gz YTEOIWJXTWVBOR-QWHCGFSZSA-N 0 1 295.814 2.577 20 30 CFEDMN C=C(Cl)CN[C@@H]1C[C@H](C)N(C(=O)C2(F)CCCC2)C1 ZINC000989062353 620230701 /nfs/dbraw/zinc/23/07/01/620230701.db2.gz JBRQMHLRBLTEIQ-NWDGAFQWSA-N 0 1 288.794 2.600 20 30 CFEDMN CC(C)[C@H]1C[C@@H](NCc2nc(C#N)cs2)CS1 ZINC000897628879 620263608 /nfs/dbraw/zinc/26/36/08/620263608.db2.gz NZTUUCFJPVNOFF-MWLCHTKSSA-N 0 1 267.423 2.634 20 30 CFEDMN COc1ccccc1CN1CCC2(CC1)CC(=O)C=CO2 ZINC000897602171 620256298 /nfs/dbraw/zinc/25/62/98/620256298.db2.gz HWMSHZQEKUXUHS-UHFFFAOYSA-N 0 1 287.359 2.533 20 30 CFEDMN Cc1cc(CN2CCC3(CC2)CC(=O)C=CO3)ccc1F ZINC000897602579 620256666 /nfs/dbraw/zinc/25/66/66/620256666.db2.gz QUTARZFZFYDYDY-UHFFFAOYSA-N 0 1 289.350 2.972 20 30 CFEDMN N#Cc1csc(CN[C@H]2Cc3[nH]c4ccccc4c3C2)n1 ZINC000897629531 620263956 /nfs/dbraw/zinc/26/39/56/620263956.db2.gz KSDUOWQSOUOMEP-SNVBAGLBSA-N 0 1 294.383 2.753 20 30 CFEDMN C=C(Cl)CN[C@H]1C[C@H](C)N(C(=O)C2CC3(CC3)C2)C1 ZINC000989438286 620274956 /nfs/dbraw/zinc/27/49/56/620274956.db2.gz KIZAAMYHIYDJBE-AAEUAGOBSA-N 0 1 282.815 2.508 20 30 CFEDMN CCO[C@]12CCC[C@@]1(NCc1ccc(C#N)s1)CCO2 ZINC000897974889 620307361 /nfs/dbraw/zinc/30/73/61/620307361.db2.gz RVSJIIMQVNPSHE-CABCVRRESA-N 0 1 292.404 2.785 20 30 CFEDMN C=C(C)CN1CCCN(C(=O)c2ccoc2CCC)CC1 ZINC000989477880 620375267 /nfs/dbraw/zinc/37/52/67/620375267.db2.gz OFMSBMFQTVRWSQ-UHFFFAOYSA-N 0 1 290.407 2.956 20 30 CFEDMN C=CC[N@H+]1CCCN(C(=O)c2cncc3ccccc32)CC1 ZINC000989728106 620388951 /nfs/dbraw/zinc/38/89/51/620388951.db2.gz BBAWWFNIXXXXQA-UHFFFAOYSA-N 0 1 295.386 2.569 20 30 CFEDMN C=CCN1CCCN(C(=O)c2cncc3ccccc32)CC1 ZINC000989728106 620388953 /nfs/dbraw/zinc/38/89/53/620388953.db2.gz BBAWWFNIXXXXQA-UHFFFAOYSA-N 0 1 295.386 2.569 20 30 CFEDMN c1ccc2c(c1)NCCCC2=NN[C@@H]1CCSC1 ZINC000808003140 620418495 /nfs/dbraw/zinc/41/84/95/620418495.db2.gz JHZIQVIFBTZPSE-LLVKDONJSA-N 0 1 261.394 2.692 20 30 CFEDMN C=CCN1CC[C@]2(NC(=O)c3cc(C)cs3)CCC[C@@H]12 ZINC000990592897 620433468 /nfs/dbraw/zinc/43/34/68/620433468.db2.gz YVEITBDMLPDQBK-GDBMZVCRSA-N 0 1 290.432 2.969 20 30 CFEDMN C=CCCCCCNC(=O)[C@@H]1CCN1C(C)(C)C ZINC000898437085 620464357 /nfs/dbraw/zinc/46/43/57/620464357.db2.gz RPMOIEFJANREJC-ZDUSSCGKSA-N 0 1 252.402 2.722 20 30 CFEDMN C=CC(C)(C)NCc1cc(C(=O)OC)c(CC)o1 ZINC000898459978 620466859 /nfs/dbraw/zinc/46/68/59/620466859.db2.gz AGDNWHWCAGHRMN-UHFFFAOYSA-N 0 1 251.326 2.683 20 30 CFEDMN C=CC[C@H]1CCCN(C(=O)[C@@H]2CCN2C(C)(C)C)C1 ZINC000898669549 620487170 /nfs/dbraw/zinc/48/71/70/620487170.db2.gz QQCZYLZYNIOMOK-KBPBESRZSA-N 0 1 264.413 2.674 20 30 CFEDMN C#CC[C@H]1C(=O)N(c2ncnc(Cl)c2C(C)C)N=C1C ZINC000899352662 620548003 /nfs/dbraw/zinc/54/80/03/620548003.db2.gz MXTNMXFMWSSCCY-SNVBAGLBSA-N 0 1 290.754 2.615 20 30 CFEDMN C=CC[N@@H+](CC(=O)[O-])Cc1cc(Cl)cc(Cl)c1N ZINC000901586296 620862617 /nfs/dbraw/zinc/86/26/17/620862617.db2.gz NXJWEYRLTBWRCC-UHFFFAOYSA-N 0 1 289.162 2.648 20 30 CFEDMN C=CC[N@@H+](CC(=O)[O-])C[C@@H](c1ccccc1)C(C)C ZINC000901585978 620862627 /nfs/dbraw/zinc/86/26/27/620862627.db2.gz HPTBHHUDYJFXJQ-OAHLLOKOSA-N 0 1 261.365 2.999 20 30 CFEDMN C=CC[N@H+](CC(=O)[O-])Cc1cc2cc(OC)ccc2o1 ZINC000901587674 620863204 /nfs/dbraw/zinc/86/32/04/620863204.db2.gz ZJKLXBUPDCJDTN-UHFFFAOYSA-N 0 1 275.304 2.514 20 30 CFEDMN C=CC[N@@H+](CC(=O)[O-])Cc1cc2cc(OC)ccc2o1 ZINC000901587674 620863206 /nfs/dbraw/zinc/86/32/06/620863206.db2.gz ZJKLXBUPDCJDTN-UHFFFAOYSA-N 0 1 275.304 2.514 20 30 CFEDMN C=CCOc1ccc(C[N@H+](CC(=O)[O-])CC(C)C)cc1 ZINC000901589751 620863768 /nfs/dbraw/zinc/86/37/68/620863768.db2.gz FPFMOPLLGQFURX-UHFFFAOYSA-N 0 1 277.364 2.794 20 30 CFEDMN C=CC[N@@H+](CC(=O)[O-])Cc1ccc(OCCC)c(C)c1 ZINC000901585259 620869671 /nfs/dbraw/zinc/86/96/71/620869671.db2.gz BOYCNFNANAZERP-UHFFFAOYSA-N 0 1 277.364 2.856 20 30 CFEDMN C=CCOc1ccc(C[N@@H+](CC)CCC(=O)[O-])cc1OC ZINC000901605621 620872092 /nfs/dbraw/zinc/87/20/92/620872092.db2.gz XCRZZEVUKUZYQP-UHFFFAOYSA-N 0 1 293.363 2.557 20 30 CFEDMN C=C(Br)CN1CCCCC[C@H]1C[C@H](C)O ZINC000163154184 625451465 /nfs/dbraw/zinc/45/14/65/625451465.db2.gz LDDDGEMVBOIVNL-RYUDHWBXSA-N 0 1 276.218 2.911 20 30 CFEDMN C=CCCCCCN(C)CN1C[C@@H]([C@@H]2CCCO2)CC1=O ZINC000902155849 620988592 /nfs/dbraw/zinc/98/85/92/620988592.db2.gz BYIOAQLNRXNYFD-HOTGVXAUSA-N 0 1 294.439 2.650 20 30 CFEDMN C=CC[C@@H]1CCC[N@H+](Cc2ccc(OCC(=O)[O-])cc2)C1 ZINC000902282050 621013839 /nfs/dbraw/zinc/01/38/39/621013839.db2.gz NPEQSHRDBBBZNP-CQSZACIVSA-N 0 1 289.375 2.938 20 30 CFEDMN C=C(C)C[N@H+](Cc1cc(C(=O)[O-])no1)Cc1ccccc1 ZINC000902294324 621017489 /nfs/dbraw/zinc/01/74/89/621017489.db2.gz XNRSAOIJYRXSIJ-UHFFFAOYSA-N 0 1 286.331 2.951 20 30 CFEDMN C=C(C)C[N@@H+](Cc1cc(C(=O)[O-])no1)Cc1ccccc1 ZINC000902294324 621017490 /nfs/dbraw/zinc/01/74/90/621017490.db2.gz XNRSAOIJYRXSIJ-UHFFFAOYSA-N 0 1 286.331 2.951 20 30 CFEDMN C=CC[C@H]1CC[N@H+](Cc2ccc(O[C@@H](C)C(=O)[O-])cc2)C1 ZINC000902489756 621113079 /nfs/dbraw/zinc/11/30/79/621113079.db2.gz OJAXIZIKUHVGII-KBPBESRZSA-N 0 1 289.375 2.937 20 30 CFEDMN C=CCCCN(CC)Cn1ccc(Br)n1 ZINC000902670183 621148644 /nfs/dbraw/zinc/14/86/44/621148644.db2.gz ZDUJBKGWRGOXBR-UHFFFAOYSA-N 0 1 272.190 2.891 20 30 CFEDMN CC[C@H](NCc1ccnn1C)c1cccc(C#N)c1 ZINC000902742790 621163054 /nfs/dbraw/zinc/16/30/54/621163054.db2.gz YFXLXPWSGHGCME-HNNXBMFYSA-N 0 1 254.337 2.533 20 30 CFEDMN CC(C)c1nc([C@H](C)N[C@H](C)c2cc(C#N)ccn2)n[nH]1 ZINC000902889421 621200289 /nfs/dbraw/zinc/20/02/89/621200289.db2.gz JDJQUTVSTVFNRL-MNOVXSKESA-N 0 1 284.367 2.607 20 30 CFEDMN CC(C)c1nc([C@@H](C)N[C@H](C)c2cc(C#N)ccn2)n[nH]1 ZINC000902889420 621200549 /nfs/dbraw/zinc/20/05/49/621200549.db2.gz JDJQUTVSTVFNRL-GHMZBOCLSA-N 0 1 284.367 2.607 20 30 CFEDMN C#CCN1CCC(NC(=O)Nc2cc(C)cc(C)c2)CC1 ZINC000902945266 621207526 /nfs/dbraw/zinc/20/75/26/621207526.db2.gz OPIUAWJJCIXELI-UHFFFAOYSA-N 0 1 285.391 2.523 20 30 CFEDMN COc1cccc([C@H](C)NCC2(C#N)CCC2)c1O ZINC000903035611 621230642 /nfs/dbraw/zinc/23/06/42/621230642.db2.gz RYWCXTMCOBSPII-NSHDSACASA-N 0 1 260.337 2.745 20 30 CFEDMN C[C@@H](c1cccc(C#N)c1)[N@H+]1CC[C@@H](Nc2ncccn2)C1 ZINC000903023628 621233821 /nfs/dbraw/zinc/23/38/21/621233821.db2.gz OYOIDJYAWJNFLZ-XJKSGUPXSA-N 0 1 293.374 2.596 20 30 CFEDMN C[C@@H](c1cccc(C#N)c1)[N@H+]1CC[C@H](Nc2ncccn2)C1 ZINC000903023624 621234004 /nfs/dbraw/zinc/23/40/04/621234004.db2.gz OYOIDJYAWJNFLZ-BBRMVZONSA-N 0 1 293.374 2.596 20 30 CFEDMN Cc1ccc([C@@H](CCn2cncn2)NCC(C)(C)C#N)cc1 ZINC000903100531 621252666 /nfs/dbraw/zinc/25/26/66/621252666.db2.gz RPHKEYDCUBHRNU-MRXNPFEDSA-N 0 1 297.406 2.857 20 30 CFEDMN C[C@@H]1C[C@@H](NCC2(C#N)CC2)c2c1c(F)ccc2O ZINC000903106028 621255069 /nfs/dbraw/zinc/25/50/69/621255069.db2.gz LKECTSKEMZQRDZ-MWLCHTKSSA-N 0 1 260.312 2.973 20 30 CFEDMN C[C@@H](NCC1(C#N)CCCC1)c1cccc(CO)c1 ZINC000903109345 621256781 /nfs/dbraw/zinc/25/67/81/621256781.db2.gz OEWFNTBTMRCKIJ-CYBMUJFWSA-N 0 1 258.365 2.913 20 30 CFEDMN Cc1cc(C#N)cc(C)c1C[N@H+]1C[C@H](C)C[C@H](C(=O)[O-])C1 ZINC000903407753 621363000 /nfs/dbraw/zinc/36/30/00/621363000.db2.gz LAGWEJAHIURWOU-ABAIWWIYSA-N 0 1 286.375 2.718 20 30 CFEDMN CC[C@@H](NCc1cnc2n1CCOC2)c1ccc(C#N)cc1 ZINC000903421847 621378504 /nfs/dbraw/zinc/37/85/04/621378504.db2.gz WOXPGTJVOTYPOX-MRXNPFEDSA-N 0 1 296.374 2.526 20 30 CFEDMN C=CC[C@H](C)[N@H+]1CC[C@](C(=O)[O-])(c2ccccc2)C1 ZINC000903604560 621400937 /nfs/dbraw/zinc/40/09/37/621400937.db2.gz ZSFYSEUAIBDKLC-XJKSGUPXSA-N 0 1 259.349 2.679 20 30 CFEDMN C[C@H]1C[C@H](C(=O)[O-])C[N@@H+](CCCCC2(C#N)CCC2)C1 ZINC000903701747 621421667 /nfs/dbraw/zinc/42/16/67/621421667.db2.gz LPWWEIIQTGXVMA-KBPBESRZSA-N 0 1 278.396 2.893 20 30 CFEDMN C[C@H]1C[C@@H](C(=O)[O-])C[N@@H+](CCCCC2(C#N)CCC2)C1 ZINC000903701750 621421737 /nfs/dbraw/zinc/42/17/37/621421737.db2.gz LPWWEIIQTGXVMA-UONOGXRCSA-N 0 1 278.396 2.893 20 30 CFEDMN C[C@H]1C[N@@H+](CCCCC2(C#N)CCC2)CC[C@@H]1C(=O)[O-] ZINC000903707252 621423818 /nfs/dbraw/zinc/42/38/18/621423818.db2.gz UMHUAGPHYVLEOE-KBPBESRZSA-N 0 1 278.396 2.893 20 30 CFEDMN C=CC[C@H]1CCC[N@H+](Cc2cncc(C(=O)[O-])c2)C1 ZINC000903906407 621469699 /nfs/dbraw/zinc/46/96/99/621469699.db2.gz JCXNHMNOWZLNFW-LBPRGKRZSA-N 0 1 260.337 2.568 20 30 CFEDMN C=CC(C)(C)CCCNC(=O)CN(C)[C@@H]1CCSC1 ZINC000832721836 625496776 /nfs/dbraw/zinc/49/67/76/625496776.db2.gz PAGQIPMWILSECN-CYBMUJFWSA-N 0 1 284.469 2.532 20 30 CFEDMN CCOc1ccc(O)c(/C=N/Cc2cc(N(C)C)ccn2)c1 ZINC000905002420 621680198 /nfs/dbraw/zinc/68/01/98/621680198.db2.gz OJEJZKPYEGQUHY-WOJGMQOQSA-N 0 1 299.374 2.871 20 30 CFEDMN C#CCN1CCC(Nc2ncnc3scc(C)c32)CC1 ZINC000905014211 621681811 /nfs/dbraw/zinc/68/18/11/621681811.db2.gz MWUGJQGWJXARSH-UHFFFAOYSA-N 0 1 286.404 2.509 20 30 CFEDMN CCn1cncc1/C=C/C(=O)c1cccc(CN(C)C)c1 ZINC000905078142 621690513 /nfs/dbraw/zinc/69/05/13/621690513.db2.gz LUIAYNKZRHRLRW-CMDGGOBGSA-N 0 1 283.375 2.861 20 30 CFEDMN CN(Cc1cn(CC2(C#N)CCCC2)nn1)C(C)(C)C ZINC000905058026 621694970 /nfs/dbraw/zinc/69/49/70/621694970.db2.gz CXFSNLGJFZBOEP-UHFFFAOYSA-N 0 1 275.400 2.592 20 30 CFEDMN c1ccc2c(c1)cnnc2N=NC1C[C@H]2CCC[N@H+](C1)C2 ZINC000905418153 621764193 /nfs/dbraw/zinc/76/41/93/621764193.db2.gz DNYIEZMIOYCHJD-GFCCVEGCSA-N 0 1 281.363 2.513 20 30 CFEDMN CC[C@@](O)(CN(C)Cc1cccc(C#N)c1)C(F)(F)F ZINC000905903093 621893968 /nfs/dbraw/zinc/89/39/68/621893968.db2.gz FWQAYUJEHDQECZ-CYBMUJFWSA-N 0 1 286.297 2.693 20 30 CFEDMN COc1ccc(-c2cnc([C@@H]3CCCCN3)nc2)c(C#N)c1 ZINC000906177113 621945093 /nfs/dbraw/zinc/94/50/93/621945093.db2.gz PBZARIGZWAIDKA-INIZCTEOSA-N 0 1 294.358 2.838 20 30 CFEDMN Cc1cc(C(=O)N2CCN(C)C[C@H]2C(C)C)cc(C)c1C#N ZINC000906765434 622043370 /nfs/dbraw/zinc/04/33/70/622043370.db2.gz HIDFCTAQSKLASF-KRWDZBQOSA-N 0 1 299.418 2.587 20 30 CFEDMN CCc1nc[nH]c1C(=O)Nc1ccccc1O[C@@H](C)C#N ZINC000907264013 622106851 /nfs/dbraw/zinc/10/68/51/622106851.db2.gz WCJZDSYMWAYPPS-JTQLQIEISA-N 0 1 284.319 2.515 20 30 CFEDMN N#C[C@]1(C(=O)Nc2nc(C3CCC3)n[nH]2)CC2CCC1CC2 ZINC000907368616 622117832 /nfs/dbraw/zinc/11/78/32/622117832.db2.gz PHJFXSCVOBTCKB-GURQAQJRSA-N 0 1 299.378 2.731 20 30 CFEDMN N#C[C@]1(C(=O)Nc2n[nH]c(C3CCC3)n2)CC2CCC1CC2 ZINC000907368616 622117833 /nfs/dbraw/zinc/11/78/33/622117833.db2.gz PHJFXSCVOBTCKB-GURQAQJRSA-N 0 1 299.378 2.731 20 30 CFEDMN C#CC[C@@H]1CCCN(C(=O)c2n[nH]c(C)c2C(F)(F)F)C1 ZINC000911514961 622525552 /nfs/dbraw/zinc/52/55/52/622525552.db2.gz POQMGCZSQQPMBK-SNVBAGLBSA-N 0 1 299.296 2.612 20 30 CFEDMN CCN(C)c1ccc(C=NN[C@H](C)c2ccncc2)cn1 ZINC000819815593 622562350 /nfs/dbraw/zinc/56/23/50/622562350.db2.gz BVDORQABEQIKOO-CYBMUJFWSA-N 0 1 283.379 2.617 20 30 CFEDMN CN1CCN(C(=O)c2ccccc2CC#N)C[C@@H]1C(C)(C)C ZINC000912026163 622607976 /nfs/dbraw/zinc/60/79/76/622607976.db2.gz DSHMHVCKDRMATI-MRXNPFEDSA-N 0 1 299.418 2.555 20 30 CFEDMN C=CCCSCCNC(=O)C(C)(C)N1CCCCC1 ZINC000912378219 622697354 /nfs/dbraw/zinc/69/73/54/622697354.db2.gz DDDWYSGVFBGIHM-UHFFFAOYSA-N 0 1 284.469 2.676 20 30 CFEDMN N#CC(=C(O)C=C[C@@H]1CCCO1)c1cnc2ccccc2n1 ZINC000820853560 622775147 /nfs/dbraw/zinc/77/51/47/622775147.db2.gz XLPZVJYIHMPHLL-FVWNJDPFSA-N 0 1 293.326 2.541 20 30 CFEDMN N#CC(C(=O)C=C[C@@H]1CCCO1)c1cnc2ccccc2n1 ZINC000820853560 622775151 /nfs/dbraw/zinc/77/51/51/622775151.db2.gz XLPZVJYIHMPHLL-FVWNJDPFSA-N 0 1 293.326 2.541 20 30 CFEDMN CCN(CC)c1ccc(CN=Nc2cnccn2)cc1 ZINC000912958856 622804758 /nfs/dbraw/zinc/80/47/58/622804758.db2.gz KGKJTNXRPALYBY-UHFFFAOYSA-N 0 1 269.352 2.769 20 30 CFEDMN C=CC[C@@H]1CCN(C(=O)[C@H]2c3cn[nH]c3CC[C@@H]2C)C1 ZINC000912983542 622812665 /nfs/dbraw/zinc/81/26/65/622812665.db2.gz BZHDYPPLSLBHEW-YWPYICTPSA-N 0 1 273.380 2.500 20 30 CFEDMN C=CCCC(=O)[C@@H]1CCCN1C(=O)c1cccc(F)c1O ZINC000821299606 622888527 /nfs/dbraw/zinc/88/85/27/622888527.db2.gz QALHYFXLMRHGDM-ZDUSSCGKSA-N 0 1 291.322 2.671 20 30 CFEDMN C#CCC[C@@H](C)OC(=O)c1cc2[nH]cnc2cc1F ZINC000821375708 622907809 /nfs/dbraw/zinc/90/78/09/622907809.db2.gz CTVBPIJJQZZEBB-SECBINFHSA-N 0 1 260.268 2.661 20 30 CFEDMN CCOP(=O)(CCCN(C)C[C@@H](C)C#N)OCC ZINC000876616778 622920204 /nfs/dbraw/zinc/92/02/04/622920204.db2.gz ABMYXROPWGJCDL-LBPRGKRZSA-N 0 1 276.317 2.734 20 30 CFEDMN C=CCc1cc(C[N@@H+](C)CC2CC2)c(O)c(OC)c1 ZINC000164190493 622941976 /nfs/dbraw/zinc/94/19/76/622941976.db2.gz WJVLNXVBPMAFAL-UHFFFAOYSA-N 0 1 261.365 2.971 20 30 CFEDMN N#Cc1ccc(/C=C/C(=O)c2ccc(O)cc2O)cc1 ZINC000156641304 622952464 /nfs/dbraw/zinc/95/24/64/622952464.db2.gz DYIHIUJOGDZYGO-VMPITWQZSA-N 0 1 265.268 2.866 20 30 CFEDMN CC(C)n1cc(CNCc2ccc(C#N)cc2)cn1 ZINC000226241287 623063059 /nfs/dbraw/zinc/06/30/59/623063059.db2.gz DAWCVHRLBWTLFU-UHFFFAOYSA-N 0 1 254.337 2.625 20 30 CFEDMN CCCCCNC(=O)C(C#N)C(=O)[C@@H](SCC)C(C)C ZINC000171363969 623218778 /nfs/dbraw/zinc/21/87/78/623218778.db2.gz YUCMBSQOSYLREX-JSGCOSHPSA-N 0 1 298.452 2.779 20 30 CFEDMN CCS[C@H](C(=O)C(C#N)C(=O)NC1CCCC1)C(C)C ZINC000171367053 623219698 /nfs/dbraw/zinc/21/96/98/623219698.db2.gz XKABEZPWJDUHST-OCCSQVGLSA-N 0 1 296.436 2.532 20 30 CFEDMN CS[C@@H](C)C(=O)C(C#N)c1nc2ccccc2o1 ZINC000171403005 623220889 /nfs/dbraw/zinc/22/08/89/623220889.db2.gz RNZADUBUPPCQGK-IUCAKERBSA-N 0 1 260.318 2.756 20 30 CFEDMN CS[C@H](C)C(=O)C(C#N)c1nc2ccccc2o1 ZINC000171403007 623221218 /nfs/dbraw/zinc/22/12/18/623221218.db2.gz RNZADUBUPPCQGK-BDAKNGLRSA-N 0 1 260.318 2.756 20 30 CFEDMN Cc1nn(C)cc1[C@@H](C)NCc1ccc(O[C@H](C)C#N)cc1 ZINC000171764835 623242096 /nfs/dbraw/zinc/24/20/96/623242096.db2.gz VPYNNEWJZFYABW-CHWSQXEVSA-N 0 1 298.390 2.870 20 30 CFEDMN CC(C)[C@H](C)C(=O)C(C#N)C(=O)Nc1ccccc1 ZINC000172020751 623253558 /nfs/dbraw/zinc/25/35/58/623253558.db2.gz FEVSFVWKOFFGIC-WCQYABFASA-N 0 1 258.321 2.626 20 30 CFEDMN COc1ccc(CNCc2cccc(C)n2)cc1C#N ZINC000087824147 623277853 /nfs/dbraw/zinc/27/78/53/623277853.db2.gz LRPBHASGEUEBGD-UHFFFAOYSA-N 0 1 267.332 2.560 20 30 CFEDMN C=C(Cl)CN[C@@H]1CN(C(=O)C2CCCC2)CC1(C)C ZINC000995326797 625636015 /nfs/dbraw/zinc/63/60/15/625636015.db2.gz LVGSGGFBLKSLDO-CYBMUJFWSA-N 0 1 284.831 2.756 20 30 CFEDMN N#CC(C(=O)CC1CCC1)C(=O)Nc1ccccc1 ZINC000173967152 623378306 /nfs/dbraw/zinc/37/83/06/623378306.db2.gz ILRZQDGTYHYGCM-CYBMUJFWSA-N 0 1 256.305 2.524 20 30 CFEDMN C=C[C@@H](C)ONC(=O)c1ccc(CN2CCCCC2)o1 ZINC000824033053 623436955 /nfs/dbraw/zinc/43/69/55/623436955.db2.gz AOQZHKXRVURRIY-GFCCVEGCSA-N 0 1 278.352 2.501 20 30 CFEDMN C#CCN1CC[C@]2(NC(=O)c3ccccc3CC)CCC[C@@H]12 ZINC000992158391 623473732 /nfs/dbraw/zinc/47/37/32/623473732.db2.gz IMYPYAPJZSDNMZ-IEBWSBKVSA-N 0 1 296.414 2.609 20 30 CFEDMN C#CCN1CC[C@@]2(NC(=O)c3ccccc3CC)CCC[C@H]12 ZINC000992158383 623473870 /nfs/dbraw/zinc/47/38/70/623473870.db2.gz IMYPYAPJZSDNMZ-HKUYNNGSSA-N 0 1 296.414 2.609 20 30 CFEDMN C=C(Cl)CN[C@@H]1CN(C(=O)CC(C)C)CC1(C)C ZINC000995348691 625650660 /nfs/dbraw/zinc/65/06/60/625650660.db2.gz ASMLSTVADOPYQV-GFCCVEGCSA-N 0 1 272.820 2.612 20 30 CFEDMN C#CCN1CC[C@@]2(NC(=O)c3ccc(C)c(C)c3)CCC[C@@H]12 ZINC000992468508 623586761 /nfs/dbraw/zinc/58/67/61/623586761.db2.gz PPQILFXLTGWVFR-MJGOQNOKSA-N 0 1 296.414 2.663 20 30 CFEDMN C=C(C)C[N@@H+]1CCC[C@@H](NC(=O)c2ccc(F)cc2)[C@@H]1C ZINC000992975687 623824253 /nfs/dbraw/zinc/82/42/53/623824253.db2.gz YHXYTDCGNUCZKE-XJKSGUPXSA-N 0 1 290.382 2.985 20 30 CFEDMN C#CCC[N@@H+]1CCC[C@H](NC(=O)C2CCCCC2)[C@H]1C ZINC000992987364 623834402 /nfs/dbraw/zinc/83/44/02/623834402.db2.gz NTTYDAGEBAIECT-ZBFHGGJFSA-N 0 1 276.424 2.559 20 30 CFEDMN C=C(C)CN1CCC[C@H](NC(=O)c2cccs2)[C@H]1C ZINC000993010012 623840002 /nfs/dbraw/zinc/84/00/02/623840002.db2.gz SSWMODDTJVEATD-OLZOCXBDSA-N 0 1 278.421 2.907 20 30 CFEDMN C=C(C)C[N@@H+]1CCC[C@@H](NC(=O)c2ccc(C)o2)[C@@H]1C ZINC000993006757 623840633 /nfs/dbraw/zinc/84/06/33/623840633.db2.gz VBOOSHNOVQDBTL-UONOGXRCSA-N 0 1 276.380 2.747 20 30 CFEDMN C=C(C)CN1CCC[C@@H](NC(=O)c2ccc(C)o2)[C@@H]1C ZINC000993006757 623840639 /nfs/dbraw/zinc/84/06/39/623840639.db2.gz VBOOSHNOVQDBTL-UONOGXRCSA-N 0 1 276.380 2.747 20 30 CFEDMN CCOC(=O)C(C)(C)ON=C(C)c1ccc(N)cc1C ZINC000835004965 623929387 /nfs/dbraw/zinc/92/93/87/623929387.db2.gz IGOOPPLIFWBXGL-UHFFFAOYSA-N 0 1 278.352 2.660 20 30 CFEDMN CC(=NOC[C@@H]1CCOC1)c1ccccc1N(C)C ZINC000788031847 623951178 /nfs/dbraw/zinc/95/11/78/623951178.db2.gz ZFTIKPHINNBFCJ-CYBMUJFWSA-N 0 1 262.353 2.530 20 30 CFEDMN C#C[C@@H](NCc1nc2c(s1)CCCC2)C1CCOCC1 ZINC000827565477 624033673 /nfs/dbraw/zinc/03/36/73/624033673.db2.gz MHAIYCUDQIKSEG-CYBMUJFWSA-N 0 1 290.432 2.540 20 30 CFEDMN C#C[C@H](NCc1nc2c(s1)CCCC2)C1CCOCC1 ZINC000827565478 624033844 /nfs/dbraw/zinc/03/38/44/624033844.db2.gz MHAIYCUDQIKSEG-ZDUSSCGKSA-N 0 1 290.432 2.540 20 30 CFEDMN C=CCN1CCC[C@@H](NC(=O)C(F)=C2CCCC2)[C@H]1C ZINC000993221800 624050200 /nfs/dbraw/zinc/05/02/00/624050200.db2.gz AJHDRLWEYUTXIO-TZMCWYRMSA-N 0 1 280.387 2.939 20 30 CFEDMN C=C(C)CN1CC[C@H](NC(=O)c2ccc3[nH]ccc3c2)C1 ZINC001015640046 624065701 /nfs/dbraw/zinc/06/57/01/624065701.db2.gz SYBBDOLJCKWIFX-HNNXBMFYSA-N 0 1 283.375 2.548 20 30 CFEDMN C=C(C)CN1CCC[C@H](NC(=O)C2(F)CCCC2)[C@H]1C ZINC000993501472 624147519 /nfs/dbraw/zinc/14/75/19/624147519.db2.gz LCUWGJWMTLENBP-KGLIPLIRSA-N 0 1 282.403 2.814 20 30 CFEDMN C=CCN1CCC[C@H](NC(=O)c2cc[nH]c2CCC)[C@@H]1C ZINC000993701674 624162027 /nfs/dbraw/zinc/16/20/27/624162027.db2.gz JAJFVYKNWIBNQF-ZFWWWQNUSA-N 0 1 289.423 2.736 20 30 CFEDMN C=CCN1CCC[C@@H](NC(=O)c2cc3ccccn3c2)[C@H]1C ZINC000993908735 624173897 /nfs/dbraw/zinc/17/38/97/624173897.db2.gz VIIVIQNPWMJHKP-RHSMWYFYSA-N 0 1 297.402 2.708 20 30 CFEDMN C=CCN1CCC[C@@H](NC(=O)c2ccncc2Cl)[C@@H]1C ZINC000993867593 624174011 /nfs/dbraw/zinc/17/40/11/624174011.db2.gz YXROBXFRIQZONJ-SMDDNHRTSA-N 0 1 293.798 2.504 20 30 CFEDMN FC(F)(F)c1ccc(NN=Cc2ccccn2)nc1 ZINC000915917505 624188233 /nfs/dbraw/zinc/18/82/33/624188233.db2.gz FCGGWYHKUVSQSI-UHFFFAOYSA-N 0 1 266.226 2.941 20 30 CFEDMN COc1ccc(O)c([C@H](C)NCc2ccncc2C#N)c1 ZINC000828154495 624188339 /nfs/dbraw/zinc/18/83/39/624188339.db2.gz AATDZKPZYIVCIX-NSHDSACASA-N 0 1 283.331 2.518 20 30 CFEDMN Cc1cc(NN=Cc2ccc(F)c(F)c2)nc(C)n1 ZINC000915970633 624197345 /nfs/dbraw/zinc/19/73/45/624197345.db2.gz KCONDGBHMNCIRG-UHFFFAOYSA-N 0 1 262.263 2.818 20 30 CFEDMN C=CCOc1ccc(C=NNCCN2CCCCC2)cc1 ZINC000915973294 624198612 /nfs/dbraw/zinc/19/86/12/624198612.db2.gz FCJAXXLMNSQUEA-UHFFFAOYSA-N 0 1 287.407 2.661 20 30 CFEDMN Cc1ccc(C=NNCCN2CCCCC2)c(C)c1 ZINC000915974410 624198858 /nfs/dbraw/zinc/19/88/58/624198858.db2.gz SVVZXRGBURBLBM-UHFFFAOYSA-N 0 1 259.397 2.713 20 30 CFEDMN C#Cc1cccc(NC(=O)c2cn[nH]c2-c2ccncc2)c1 ZINC000916161828 624226403 /nfs/dbraw/zinc/22/64/03/624226403.db2.gz PYSHHIBJPYDPNA-UHFFFAOYSA-N 0 1 288.310 2.705 20 30 CFEDMN CC(C)=CCC[C@H](C)CC=Nn1c(=O)c(C)n[nH]c1=S ZINC000916303522 624237571 /nfs/dbraw/zinc/23/75/71/624237571.db2.gz KXGVSVTUROUHIG-NSHDSACASA-N 0 1 294.424 2.842 20 30 CFEDMN CC#CCN1CCC[C@@H](NC(=O)[C@H]2CC[C@H](C)CC2)[C@H]1C ZINC000994253170 624241164 /nfs/dbraw/zinc/24/11/64/624241164.db2.gz QUYDUTMXQHAIMP-QBPKDAKJSA-N 0 1 290.451 2.805 20 30 CFEDMN C=CCN1CCC[C@H](NC(=O)c2cc(F)cc(F)c2)[C@H]1C ZINC000994343307 624277110 /nfs/dbraw/zinc/27/71/10/624277110.db2.gz CHCUUAKGDSUQQG-ABAIWWIYSA-N 0 1 294.345 2.734 20 30 CFEDMN CC#CC[N@H+]1CCC[C@H](NC(=O)c2ccc(C)c(C)c2)[C@H]1C ZINC000994357589 624278184 /nfs/dbraw/zinc/27/81/84/624278184.db2.gz XSSBBISMSFUNLG-AEFFLSMTSA-N 0 1 298.430 2.909 20 30 CFEDMN CC#CCN1CCC[C@H](NC(=O)c2ccc(C)c(C)c2)[C@H]1C ZINC000994357589 624278188 /nfs/dbraw/zinc/27/81/88/624278188.db2.gz XSSBBISMSFUNLG-AEFFLSMTSA-N 0 1 298.430 2.909 20 30 CFEDMN CC#CC[N@H+]1CCC[C@@H](NC(=O)c2ccc(C)c(C)c2)[C@H]1C ZINC000994357591 624278528 /nfs/dbraw/zinc/27/85/28/624278528.db2.gz XSSBBISMSFUNLG-SJLPKXTDSA-N 0 1 298.430 2.909 20 30 CFEDMN CC#CCN1CCC[C@@H](NC(=O)c2ccc(C)c(C)c2)[C@H]1C ZINC000994357591 624278529 /nfs/dbraw/zinc/27/85/29/624278529.db2.gz XSSBBISMSFUNLG-SJLPKXTDSA-N 0 1 298.430 2.909 20 30 CFEDMN C#CCN1CCC(NC(=O)NCCCCC(C)(C)C)CC1 ZINC000916795823 624285475 /nfs/dbraw/zinc/28/54/75/624285475.db2.gz QVTQWOMTCKRQTQ-UHFFFAOYSA-N 0 1 293.455 2.600 20 30 CFEDMN COc1ccc(O)c([C@@H](C)NCC2(C#N)CCC2)c1 ZINC000828682289 624286544 /nfs/dbraw/zinc/28/65/44/624286544.db2.gz MNHYYDOBCJLVCD-LLVKDONJSA-N 0 1 260.337 2.745 20 30 CFEDMN CCC(CC)C(=O)C(C#N)C(=O)Nc1ccccc1OC ZINC000916930019 624293187 /nfs/dbraw/zinc/29/31/87/624293187.db2.gz GWYXGKHVVXRLMI-LBPRGKRZSA-N 0 1 288.347 2.779 20 30 CFEDMN C=CC[N@@H+](Cc1nc(=O)c2sccc2[n-]1)C(C)C ZINC000917166746 624320054 /nfs/dbraw/zinc/32/00/54/624320054.db2.gz DPVCHAZNUKUVPO-UHFFFAOYSA-N 0 1 263.366 2.793 20 30 CFEDMN C=CCN(CC(=O)NCCCOC1CCCCC1)C(C)C ZINC000917167799 624320248 /nfs/dbraw/zinc/32/02/48/624320248.db2.gz ATPZNNAHMHHCIH-UHFFFAOYSA-N 0 1 296.455 2.738 20 30 CFEDMN C=CCN(CC(=O)NCCO[C@H]1CCCC[C@@H]1C)C(C)C ZINC000917168718 624320385 /nfs/dbraw/zinc/32/03/85/624320385.db2.gz XYCNTHMHVZHGCO-HOTGVXAUSA-N 0 1 296.455 2.594 20 30 CFEDMN C=CCN(CC(=O)NCc1cccc(OCC)c1)C(C)C ZINC000917167910 624320711 /nfs/dbraw/zinc/32/07/11/624320711.db2.gz HOZHMHQTBUDFAM-UHFFFAOYSA-N 0 1 290.407 2.598 20 30 CFEDMN C=CCCOC(=O)c1ccc(CN2CCCCC2)o1 ZINC000923830453 624325427 /nfs/dbraw/zinc/32/54/27/624325427.db2.gz WXXSYCHIJNWMKY-UHFFFAOYSA-N 0 1 263.337 2.998 20 30 CFEDMN C=CCN(Cn1ncc2ccc([N+](=O)[O-])cc21)C(C)C ZINC000917481214 624345667 /nfs/dbraw/zinc/34/56/67/624345667.db2.gz DEOZGFHGXPYCTC-UHFFFAOYSA-N 0 1 274.324 2.798 20 30 CFEDMN Cc1ncc(CN=Nc2ccccc2[N+](=O)[O-])s1 ZINC000917530824 624355251 /nfs/dbraw/zinc/35/52/51/624355251.db2.gz DLSDBDDFAUKZSD-UHFFFAOYSA-N 0 1 262.294 2.806 20 30 CFEDMN C[C@@H]1CC(=NC(=O)c2cc3c(ccnc3Cl)s2)NO1 ZINC000867062570 624449138 /nfs/dbraw/zinc/44/91/38/624449138.db2.gz FSPSEXOZMLDLST-ZCFIWIBFSA-N 0 1 295.751 2.802 20 30 CFEDMN C#CC[C@@H]1CCCN(Cc2cc([N+](=O)[O-])ccc2OC)C1 ZINC000829768530 624527611 /nfs/dbraw/zinc/52/76/11/624527611.db2.gz FMJWEEQGNOWYIF-CYBMUJFWSA-N 0 1 288.347 2.839 20 30 CFEDMN C#CC[C@H]1CCCN(CC(=O)N[C@@H](C)c2cccs2)C1 ZINC000829768328 624527838 /nfs/dbraw/zinc/52/78/38/624527838.db2.gz CBEDWGKSTGHGEH-KBPBESRZSA-N 0 1 290.432 2.661 20 30 CFEDMN C#CC[C@@H]1CCCN(Cc2nnc(-c3ccccc3)o2)C1 ZINC000829774292 624531236 /nfs/dbraw/zinc/53/12/36/624531236.db2.gz OWWYPNIUOXLVEW-CQSZACIVSA-N 0 1 281.359 2.972 20 30 CFEDMN C#CC[C@@H]1CCCN(CC(=O)Nc2ccc(CC)cc2)C1 ZINC000829788619 624538235 /nfs/dbraw/zinc/53/82/35/624538235.db2.gz BRYQIBASOYPJAK-MRXNPFEDSA-N 0 1 284.403 2.923 20 30 CFEDMN C#CC[C@@H]1CCCN(CC(=O)Nc2cc(C)cc(C)c2)C1 ZINC000829788723 624538363 /nfs/dbraw/zinc/53/83/63/624538363.db2.gz FISAMIDMCNNHFN-MRXNPFEDSA-N 0 1 284.403 2.977 20 30 CFEDMN C#CC[C@H]1CCCN(CC(=O)Nc2ccc(F)c(F)c2)C1 ZINC000829789100 624538448 /nfs/dbraw/zinc/53/84/48/624538448.db2.gz NZHACBGDKMQNFI-LBPRGKRZSA-N 0 1 292.329 2.639 20 30 CFEDMN C#CC[C@H]1CCC[N@H+](Cc2nc(=O)c3sccc3[n-]2)C1 ZINC000829788765 624538457 /nfs/dbraw/zinc/53/84/57/624538457.db2.gz GJNONPJGMJYDMT-NSHDSACASA-N 0 1 287.388 2.632 20 30 CFEDMN CCC(CC)C(=O)OCC(=O)[C@@H](C#N)c1nc(C)cs1 ZINC000919224039 624542125 /nfs/dbraw/zinc/54/21/25/624542125.db2.gz KBHBUOSEVCYESZ-LLVKDONJSA-N 0 1 294.376 2.607 20 30 CFEDMN CCC(CC)C(=O)OCC(=O)C(C#N)c1nc(C)cs1 ZINC000919224039 624542128 /nfs/dbraw/zinc/54/21/28/624542128.db2.gz KBHBUOSEVCYESZ-LLVKDONJSA-N 0 1 294.376 2.607 20 30 CFEDMN Cc1ccc2nc([C@@H]3CCCN3CCO[C@H](C)C#N)[nH]c2c1 ZINC000829868934 624573539 /nfs/dbraw/zinc/57/35/39/624573539.db2.gz VTAGOGPHUSARND-CJNGLKHVSA-N 0 1 298.390 2.937 20 30 CFEDMN C#CC1CCN(CC(=O)N[C@H](C)c2ccc(C)c(C)c2)CC1 ZINC000830301363 624703539 /nfs/dbraw/zinc/70/35/39/624703539.db2.gz KNLXQHRITCBRFE-MRXNPFEDSA-N 0 1 298.430 2.826 20 30 CFEDMN C#CC1CCN([C@H](C)C(=O)Nc2ccccc2CC)CC1 ZINC000830316455 624706086 /nfs/dbraw/zinc/70/60/86/624706086.db2.gz SWDPQUUPZIAKJT-CQSZACIVSA-N 0 1 284.403 2.921 20 30 CFEDMN C#CC1CCN(CC(=O)N(C(C)C)C2CCCC2)CC1 ZINC000830330210 624711678 /nfs/dbraw/zinc/71/16/78/624711678.db2.gz UPOKPUHGKUTSFV-UHFFFAOYSA-N 0 1 276.424 2.511 20 30 CFEDMN O=c1c2ccccc2[nH]c(=S)n1N=CC=Cc1ccco1 ZINC000920370626 624716063 /nfs/dbraw/zinc/71/60/63/624716063.db2.gz LGAKJOZNUXPXFZ-WLKZSJHPSA-N 0 1 297.339 2.826 20 30 CFEDMN C[C@@H]1CCCC[C@@H]1CC(=O)C(C#N)C(=O)N1CCCC1 ZINC000920790078 624772142 /nfs/dbraw/zinc/77/21/42/624772142.db2.gz OELPAVZHRVMIHC-MCIONIFRSA-N 0 1 276.380 2.534 20 30 CFEDMN C[C@@H]1C[N@@H+](Cc2ccc(OCC#N)cc2)CC2(CCC2)O1 ZINC000830715759 624821595 /nfs/dbraw/zinc/82/15/95/624821595.db2.gz FMRCLASUCWDWBE-CQSZACIVSA-N 0 1 286.375 2.732 20 30 CFEDMN C[C@@H]1CN(Cc2ccc(OCC#N)cc2)CC2(CCC2)O1 ZINC000830715759 624821599 /nfs/dbraw/zinc/82/15/99/624821599.db2.gz FMRCLASUCWDWBE-CQSZACIVSA-N 0 1 286.375 2.732 20 30 CFEDMN C#CCNC(=O)[C@H](C)N1CC2(CC=CC2)[C@@H]1c1ccccc1 ZINC000830746407 624837715 /nfs/dbraw/zinc/83/77/15/624837715.db2.gz XKRPHJQLCWYTPR-RDJZCZTQSA-N 0 1 294.398 2.518 20 30 CFEDMN C#CCCCCC(=O)C(C#N)C(=O)Nc1cccc(OC)c1 ZINC000180736580 625037442 /nfs/dbraw/zinc/03/74/42/625037442.db2.gz KTMUIRHWIDGZGA-OAHLLOKOSA-N 0 1 298.342 2.536 20 30 CFEDMN CCCCCCCN1CCC(C#N)(C(=O)OC)CC1 ZINC000831691451 625098567 /nfs/dbraw/zinc/09/85/67/625098567.db2.gz OKNZVUKWGVNXTA-UHFFFAOYSA-N 0 1 266.385 2.736 20 30 CFEDMN CCCCCCNC(=O)C(C#N)C(=O)C1CCCCC1 ZINC000069910874 625242696 /nfs/dbraw/zinc/24/26/96/625242696.db2.gz DHBVNAVIENXMOS-AWEZNQCLSA-N 0 1 278.396 2.972 20 30 CFEDMN CCCCCCNC(=O)[C@H](C#N)C(=O)CC(C)(C)C ZINC000069910887 625242838 /nfs/dbraw/zinc/24/28/38/625242838.db2.gz LSOWGLIYXMQXCG-GFCCVEGCSA-N 0 1 266.385 2.828 20 30 CFEDMN CCCCCCNC(=O)C(C#N)C(=O)CC1CCCC1 ZINC000069911012 625243894 /nfs/dbraw/zinc/24/38/94/625243894.db2.gz MDKPPRDTLATEAG-AWEZNQCLSA-N 0 1 278.396 2.972 20 30 CFEDMN C=C(Cl)CN[C@H]1CN(C(=O)C=C2CCC2)CC1(C)C ZINC000995659090 625765770 /nfs/dbraw/zinc/76/57/70/625765770.db2.gz IIRDFTYLSQTDJI-ZDUSSCGKSA-N 0 1 282.815 2.676 20 30 CFEDMN C=C(Cl)CN[C@@H]1CN(C(=O)[C@@H]2C[C@H]2CC)CC1(C)C ZINC000996322057 625894760 /nfs/dbraw/zinc/89/47/60/625894760.db2.gz KDVVBBZZLPULSE-JHJVBQTASA-N 0 1 284.831 2.612 20 30 CFEDMN C=C(Cl)CN[C@H]1CN(C(=O)[C@@H]2CC23CCC3)CC1(C)C ZINC000996362664 625897278 /nfs/dbraw/zinc/89/72/78/625897278.db2.gz ZGIHRAPGYIIITP-STQMWFEESA-N 0 1 296.842 2.756 20 30 CFEDMN C#Cc1cccc(CN[C@@H](C)c2cc(C)nn2C)c1 ZINC000834903384 625916651 /nfs/dbraw/zinc/91/66/51/625916651.db2.gz PAODNMQERGMWDH-ZDUSSCGKSA-N 0 1 253.349 2.561 20 30 CFEDMN CC(C)(C)OC(=O)c1cccc(C=NNc2ccncn2)c1 ZINC000835000495 625949704 /nfs/dbraw/zinc/94/97/04/625949704.db2.gz FUPDTWFSJCDVBO-UHFFFAOYSA-N 0 1 298.346 2.878 20 30 CFEDMN C[C@H]1C(N=Nc2ccncn2)CCCN1Cc1ccccc1 ZINC000835002377 625950935 /nfs/dbraw/zinc/95/09/35/625950935.db2.gz VOIWBSDBCZHRFO-AWEZNQCLSA-N 0 1 295.390 2.929 20 30 CFEDMN CCOC(=O)C(C)(C)ON=Cc1cccc(Cl)c1O ZINC000835005076 625952511 /nfs/dbraw/zinc/95/25/11/625952511.db2.gz NFXMLZBOBPTVMU-UHFFFAOYSA-N 0 1 285.727 2.738 20 30 CFEDMN C[C@@H]1CC(N=Nc2ccc(C(=O)[O-])c(F)c2)C[N@H+]1C1CC1 ZINC000835010245 625957023 /nfs/dbraw/zinc/95/70/23/625957023.db2.gz UTDXNZSYMLEKRK-SECBINFHSA-N 0 1 291.326 2.548 20 30 CFEDMN O=C([O-])c1ccc(N[NH2+]C=C2CC2(F)F)cc1F ZINC000835009727 625957212 /nfs/dbraw/zinc/95/72/12/625957212.db2.gz ZFVXCGDLTIGUMZ-ZCFIWIBFSA-N 0 1 258.199 2.577 20 30 CFEDMN C=CC[N@@H+]1CC[C@@H](NC(=O)[C@@H](C)c2ccc(C)s2)C1 ZINC001015990090 625987494 /nfs/dbraw/zinc/98/74/94/625987494.db2.gz FZROTGVDJNUORQ-QWHCGFSZSA-N 0 1 278.421 2.537 20 30 CFEDMN C=CCN1CC[C@@H](NC(=O)[C@@H](C)c2ccc(C)s2)C1 ZINC001015990090 625987496 /nfs/dbraw/zinc/98/74/96/625987496.db2.gz FZROTGVDJNUORQ-QWHCGFSZSA-N 0 1 278.421 2.537 20 30 CFEDMN C#CC[N@@H+]1CCC[C@@H](N(CC)C(=O)C2CC(C)(C)C2)CC1 ZINC000998005513 626027023 /nfs/dbraw/zinc/02/70/23/626027023.db2.gz PLWYVDCJHHBFJB-MRXNPFEDSA-N 0 1 290.451 2.759 20 30 CFEDMN C=C(Cl)CN[C@H]1CCCN(C(=O)C2CCCC2)C1 ZINC000998339125 626045090 /nfs/dbraw/zinc/04/50/90/626045090.db2.gz HVZOSIFOHKABOL-ZDUSSCGKSA-N 0 1 270.804 2.510 20 30 CFEDMN C=C(Cl)CN[C@@H]1CCCN(C(=O)c2cccc(F)c2)C1 ZINC000998433798 626050047 /nfs/dbraw/zinc/05/00/47/626050047.db2.gz QCZDCLDESWJTJL-CQSZACIVSA-N 0 1 296.773 2.772 20 30 CFEDMN C=C(Cl)CN[C@H]1CCCN(C(=O)C[C@@H]2C=CCC2)C1 ZINC000998494122 626053382 /nfs/dbraw/zinc/05/33/82/626053382.db2.gz HIILNXRHPVNXPP-KGLIPLIRSA-N 0 1 282.815 2.676 20 30 CFEDMN C=C(Cl)CN[C@@H]1CCCN(C(=O)[C@@H]2CC=CCC2)C1 ZINC000998506208 626053941 /nfs/dbraw/zinc/05/39/41/626053941.db2.gz NDVQHVLENMWLDZ-ZIAGYGMSSA-N 0 1 282.815 2.676 20 30 CFEDMN C=C(Cl)CN[C@@H]1CCCN(C(=O)C(F)=C(C)C)C1 ZINC000998903052 626063809 /nfs/dbraw/zinc/06/38/09/626063809.db2.gz BGYHJMFIVLCMKQ-LLVKDONJSA-N 0 1 274.767 2.583 20 30 CFEDMN C=C(Cl)CN[C@@H]1CCCN(C(=O)C(C)=C2CCC2)C1 ZINC000999116340 626066352 /nfs/dbraw/zinc/06/63/52/626066352.db2.gz GRCDNKZUBXYCGH-CQSZACIVSA-N 0 1 282.815 2.820 20 30 CFEDMN C=C(Cl)CN[C@@H]1CCCN(C(=O)C2(F)CCCC2)C1 ZINC000999553651 626076133 /nfs/dbraw/zinc/07/61/33/626076133.db2.gz BOAVCJHGWXXJKP-GFCCVEGCSA-N 0 1 288.794 2.602 20 30 CFEDMN C=C(Cl)CN[C@H]1CCCN(C(=O)[C@@H](C)C(F)(F)F)C1 ZINC000999892947 626082533 /nfs/dbraw/zinc/08/25/33/626082533.db2.gz FZKNYKACKKCQRC-ZJUUUORDSA-N 0 1 298.736 2.518 20 30 CFEDMN C=C(Cl)CN[C@@H]1CCCN(C(=O)c2cocc2C)C1 ZINC000999930200 626084221 /nfs/dbraw/zinc/08/42/21/626084221.db2.gz QGCODOIMYPPPQN-GFCCVEGCSA-N 0 1 282.771 2.535 20 30 CFEDMN N#CCOc1ccc(CNCc2cnn(C3CCC3)c2)cc1 ZINC000921694740 626092117 /nfs/dbraw/zinc/09/21/17/626092117.db2.gz WDUBUWCDFLEWPW-UHFFFAOYSA-N 0 1 296.374 2.800 20 30 CFEDMN Cc1ncc2c(n1)CCC[C@@H]2NCc1csc(C#N)c1 ZINC000921749286 626105860 /nfs/dbraw/zinc/10/58/60/626105860.db2.gz NTNMGHPXCCHGGB-AWEZNQCLSA-N 0 1 284.388 2.885 20 30 CFEDMN CC#CCN1CC=C(CNC(=O)C2=CCCCCC2)CC1 ZINC001000622004 626127703 /nfs/dbraw/zinc/12/77/03/626127703.db2.gz SIROXMAFCLLVTA-UHFFFAOYSA-N 0 1 286.419 2.649 20 30 CFEDMN C=C(Cl)CN[C@@H]1CCCN(C(=O)[C@@H]2CC23CCCC3)C1 ZINC001000617518 626127902 /nfs/dbraw/zinc/12/79/02/626127902.db2.gz OEMFCGKNAYAJHQ-KGLIPLIRSA-N 0 1 296.842 2.900 20 30 CFEDMN C=C(Cl)CN[C@@H]1CCCN(C(=O)C(C2CC2)C2CC2)C1 ZINC001000659477 626128426 /nfs/dbraw/zinc/12/84/26/626128426.db2.gz NFOPNUDNFXSQHX-CQSZACIVSA-N 0 1 296.842 2.756 20 30 CFEDMN C#CCN1CC=C(CNC(=O)[C@H]2CCCC[C@@H]2CC)CC1 ZINC001001324906 626155243 /nfs/dbraw/zinc/15/52/43/626155243.db2.gz ISTJPYLZCZJDGA-IRXDYDNUSA-N 0 1 288.435 2.584 20 30 CFEDMN C=C[C@H](C)NCc1cc(C#N)ccc1Br ZINC000921834717 626155981 /nfs/dbraw/zinc/15/59/81/626155981.db2.gz IQQMVXMEMYGITP-VIFPVBQESA-N 0 1 265.154 2.985 20 30 CFEDMN C=CC[N@@H+]1CC=C(CNC(=O)c2ccc(CC)cc2)CC1 ZINC001001420995 626157398 /nfs/dbraw/zinc/15/73/98/626157398.db2.gz XYEVCJFJEMYDIQ-UHFFFAOYSA-N 0 1 284.403 2.797 20 30 CFEDMN Cn1nc2c(c1CNC1(c3cccc(C#N)c3)CC1)CCC2 ZINC000921923451 626178191 /nfs/dbraw/zinc/17/81/91/626178191.db2.gz LYJXYVMQYPEGGP-UHFFFAOYSA-N 0 1 292.386 2.559 20 30 CFEDMN C[C@@]1(NCc2cc(C#N)ccc2Br)CCOC1 ZINC000921935077 626180232 /nfs/dbraw/zinc/18/02/32/626180232.db2.gz VRGYFCCFKRRGNJ-CYBMUJFWSA-N 0 1 295.180 2.589 20 30 CFEDMN CC#CCN1CCC(NC(=O)[C@@H]2CCCC3(CC3)C2)CC1 ZINC001002807652 626194594 /nfs/dbraw/zinc/19/45/94/626194594.db2.gz UNGDKOKRYNWTEX-OAHLLOKOSA-N 0 1 288.435 2.561 20 30 CFEDMN CC#CCN1CCC(NC(=O)c2ccc3occc3c2)CC1 ZINC001002879578 626201706 /nfs/dbraw/zinc/20/17/06/626201706.db2.gz MPVAPFDLHZAVSN-UHFFFAOYSA-N 0 1 296.370 2.650 20 30 CFEDMN C=CCOc1ccc(CNCc2cnn(CCF)c2)cc1 ZINC000922121872 626211754 /nfs/dbraw/zinc/21/17/54/626211754.db2.gz JBSGQFGWZPSRBL-UHFFFAOYSA-N 0 1 289.354 2.707 20 30 CFEDMN C=CCN1CC[C@H](NC(=O)[C@H]2CCCC(C)(C)C2)C1 ZINC001016362000 626216676 /nfs/dbraw/zinc/21/66/76/626216676.db2.gz JGJFPEOWZONJRN-KBPBESRZSA-N 0 1 264.413 2.579 20 30 CFEDMN CC#CCN1CCC(NC(=O)[C@]2(C)CCC[C@H]2CC)CC1 ZINC001003156803 626222345 /nfs/dbraw/zinc/22/23/45/626222345.db2.gz VJCPEIUZJYMJJM-CRAIPNDOSA-N 0 1 290.451 2.807 20 30 CFEDMN CO[C@@]1(C)C[C@H]1NCc1cc(C#N)ccc1Br ZINC000922263898 626255618 /nfs/dbraw/zinc/25/56/18/626255618.db2.gz KKBCDWSEPAJLPO-OLZOCXBDSA-N 0 1 295.180 2.588 20 30 CFEDMN CCCn1nccc1CNCc1ccc(C)c(C#N)c1 ZINC000922760454 626359581 /nfs/dbraw/zinc/35/95/81/626359581.db2.gz TWOMLFXEVIKSAO-UHFFFAOYSA-N 0 1 268.364 2.763 20 30 CFEDMN Cc1ccc(CNCc2cc(C(F)(F)F)n[nH]2)cc1C#N ZINC000922760294 626359696 /nfs/dbraw/zinc/35/96/96/626359696.db2.gz RXWHFMLXLUYFDC-UHFFFAOYSA-N 0 1 294.280 2.898 20 30 CFEDMN N#CC(C(=O)C[C@H]1C=CCC1)c1nnc2n1CCCCC2 ZINC000073973356 626401301 /nfs/dbraw/zinc/40/13/01/626401301.db2.gz ZEKOHXDLHYKWOR-QWHCGFSZSA-N 0 1 284.363 2.537 20 30 CFEDMN C#CCN1CCC(N(C)C(=O)c2ccccc2C(C)C)CC1 ZINC001005472862 626415220 /nfs/dbraw/zinc/41/52/20/626415220.db2.gz HMMCZTFCDNKCRR-UHFFFAOYSA-N 0 1 298.430 2.980 20 30 CFEDMN C#CCN(Cc1cc(OC)ns1)C1CCCCC1 ZINC000851738230 634502844 /nfs/dbraw/zinc/50/28/44/634502844.db2.gz XULRIAKPAMYSSA-UHFFFAOYSA-N 0 1 264.394 2.920 20 30 CFEDMN N#Cc1ccccc1CNC1([C@H]2CCCCO2)CC1 ZINC000923028703 626443952 /nfs/dbraw/zinc/44/39/52/626443952.db2.gz BAWOUVSERXDVKA-OAHLLOKOSA-N 0 1 256.349 2.750 20 30 CFEDMN CC#CCN1CCC(N(C)C(=O)[C@@H](C)c2ccccc2)CC1 ZINC001006307175 626482646 /nfs/dbraw/zinc/48/26/46/626482646.db2.gz RZJMSICXOXTFMT-INIZCTEOSA-N 0 1 298.430 2.736 20 30 CFEDMN N#Cc1ccccc1/C=C/C(=O)c1ccc(O)cc1O ZINC000121326797 626488041 /nfs/dbraw/zinc/48/80/41/626488041.db2.gz PIBOYFFTMGLTDY-VMPITWQZSA-N 0 1 265.268 2.866 20 30 CFEDMN Cc1cccc2nc([C@H](C#N)C(=O)[C@@H]3C[C@H]4CC[C@@H]3O4)[nH]c21 ZINC000838805447 626505957 /nfs/dbraw/zinc/50/59/57/626505957.db2.gz JWXAKRCVBPDRKA-BYNQJWBRSA-N 0 1 295.342 2.615 20 30 CFEDMN C#Cc1ccc(CN2CCOC[C@@H]2CC(C)C)cc1 ZINC000809574868 626540928 /nfs/dbraw/zinc/54/09/28/626540928.db2.gz SJLXOADLFVXSLX-KRWDZBQOSA-N 0 1 257.377 2.915 20 30 CFEDMN C#C[C@H](NCc1nc2cc(Cl)ccc2n1C)C(C)C ZINC000809685372 626548451 /nfs/dbraw/zinc/54/84/51/626548451.db2.gz QAJBJNAOFLACAV-LBPRGKRZSA-N 0 1 275.783 2.974 20 30 CFEDMN CCN(CC)c1ccc(C=NNC2CCOCC2)cc1F ZINC000757593244 626556113 /nfs/dbraw/zinc/55/61/13/626556113.db2.gz QQQTYWLLQSGBSN-UHFFFAOYSA-N 0 1 293.386 2.774 20 30 CFEDMN C=CCS(=O)(=O)CCN[C@H](c1ccc(C)o1)C1CCC1 ZINC000757653922 626557294 /nfs/dbraw/zinc/55/72/94/626557294.db2.gz BQFWCKVTMSKDDD-HNNXBMFYSA-N 0 1 297.420 2.620 20 30 CFEDMN COc1ccccc1NC(=O)C[C@@H](C)NCC(C)(C)C#N ZINC000757905058 626567220 /nfs/dbraw/zinc/56/72/20/626567220.db2.gz FCTWHXVEJNUBJQ-GFCCVEGCSA-N 0 1 289.379 2.552 20 30 CFEDMN C[C@H](CC(=O)Nc1ccc(F)cc1)NCC(C)(C)C#N ZINC000757905404 626567431 /nfs/dbraw/zinc/56/74/31/626567431.db2.gz SELFWVSKXSGFPI-LLVKDONJSA-N 0 1 277.343 2.682 20 30 CFEDMN CC(C)(C)c1noc(C=NN=c2[nH]cccc2Cl)n1 ZINC000758114312 626577038 /nfs/dbraw/zinc/57/70/38/626577038.db2.gz ZFAZSUGEXHPIMG-UHFFFAOYSA-N 0 1 279.731 2.862 20 30 CFEDMN C[C@@H]1CCN(Cn2cccc(C#N)c2=O)[C@@H]2CCCC[C@H]12 ZINC000758202595 626582102 /nfs/dbraw/zinc/58/21/02/626582102.db2.gz AEVMSSFSHQZECH-FVQBIDKESA-N 0 1 285.391 2.578 20 30 CFEDMN Cc1ccn(CN2CCCC[C@H]2CC(C)C)c(=O)c1C#N ZINC000758235671 626584341 /nfs/dbraw/zinc/58/43/41/626584341.db2.gz JTRTZUVTUMMZBG-HNNXBMFYSA-N 0 1 287.407 2.887 20 30 CFEDMN Cc1ccn(CN2CCC[C@@H]2CCC(C)C)c(=O)c1C#N ZINC000758239780 626584645 /nfs/dbraw/zinc/58/46/45/626584645.db2.gz OBPCVRGAZDVGAJ-OAHLLOKOSA-N 0 1 287.407 2.887 20 30 CFEDMN FC(F)CON=C1CCN(CCC(F)(F)F)CC1 ZINC000758904143 626616578 /nfs/dbraw/zinc/61/65/78/626616578.db2.gz NCUBFVSQGBKVST-UHFFFAOYSA-N 0 1 274.233 2.672 20 30 CFEDMN CC(=NOCC(F)F)c1cc(F)cc(F)c1O ZINC000758906949 626617354 /nfs/dbraw/zinc/61/73/54/626617354.db2.gz PJCJDILOLALOPH-UHFFFAOYSA-N 0 1 251.179 2.676 20 30 CFEDMN C=C[C@@H](CC(=O)NCc1cc(CC)[nH]n1)c1ccccc1 ZINC000759081508 626627814 /nfs/dbraw/zinc/62/78/14/626627814.db2.gz HQHUDHXVFUKVIC-ZDUSSCGKSA-N 0 1 283.375 2.948 20 30 CFEDMN CC1(CC(=O)C(C#N)C(=O)Nc2ccccc2)CC1 ZINC000759432500 626657621 /nfs/dbraw/zinc/65/76/21/626657621.db2.gz WLDKZWBNEDISDF-GFCCVEGCSA-N 0 1 256.305 2.524 20 30 CFEDMN C=C[C@@H](CC(=O)OCc1n[nH]c(C)n1)c1ccccc1 ZINC000759444664 626659423 /nfs/dbraw/zinc/65/94/23/626659423.db2.gz XQCAUIPNINEMLO-LBPRGKRZSA-N 0 1 271.320 2.516 20 30 CFEDMN CC(C)c1ocnc1C(=O)Nc1cc(C#N)ccc1O ZINC000759713935 626687084 /nfs/dbraw/zinc/68/70/84/626687084.db2.gz SVZIOZFOQAKWBF-UHFFFAOYSA-N 0 1 271.276 2.628 20 30 CFEDMN COc1cccc(F)c1C(=O)Nc1cc(C#N)ccc1O ZINC000759720679 626687293 /nfs/dbraw/zinc/68/72/93/626687293.db2.gz SGWYOZFKZBHLDG-UHFFFAOYSA-N 0 1 286.262 2.664 20 30 CFEDMN CCc1ccc(C=Nn2c(=S)[nH]nc2C(F)(F)F)o1 ZINC000760230191 626721979 /nfs/dbraw/zinc/72/19/79/626721979.db2.gz BTEIDJNVFNBNSE-UHFFFAOYSA-N 0 1 290.270 2.623 20 30 CFEDMN C[C@H]1CN(Cc2ccccc2)CC1N=Nc1ncc(F)cn1 ZINC000760245982 626723685 /nfs/dbraw/zinc/72/36/85/626723685.db2.gz AWUNKPQOQVFGRH-LBPRGKRZSA-N 0 1 299.353 2.536 20 30 CFEDMN N#C[C@H](C(=O)C1C2CC3CC(C2)CC1C3)c1ccncn1 ZINC000760336280 626735798 /nfs/dbraw/zinc/73/57/98/626735798.db2.gz XQFBUZWLEUQEOI-NUAPRZDKSA-N 0 1 281.359 2.725 20 30 CFEDMN N#C[C@@H](C(=O)C=CSc1ccccc1)c1ccncn1 ZINC000760337716 626736517 /nfs/dbraw/zinc/73/65/17/626736517.db2.gz BHUKNMBPQAYMBD-FNOHHLHBSA-N 0 1 281.340 2.959 20 30 CFEDMN N#CC(C(=O)C=CSc1ccccc1)c1ccncn1 ZINC000760337716 626736519 /nfs/dbraw/zinc/73/65/19/626736519.db2.gz BHUKNMBPQAYMBD-FNOHHLHBSA-N 0 1 281.340 2.959 20 30 CFEDMN N#CC(C(=O)CCc1ccc(Cl)cc1)c1ccncn1 ZINC000760341116 626736980 /nfs/dbraw/zinc/73/69/80/626736980.db2.gz QUCYGNBZRHAVKJ-ZDUSSCGKSA-N 0 1 285.734 2.939 20 30 CFEDMN N#CC(C(=O)C[C@@H]1CCc2ccccc21)c1ccncn1 ZINC000760342174 626737131 /nfs/dbraw/zinc/73/71/31/626737131.db2.gz VWURVJSDYGTEQP-ZFWWWQNUSA-N 0 1 277.327 2.773 20 30 CFEDMN N#C[C@@H](C(=O)Cc1ccc2c(c1)CCCC2)c1ccncn1 ZINC000760340682 626737164 /nfs/dbraw/zinc/73/71/64/626737164.db2.gz NGAMRHFKHKHNBE-MRXNPFEDSA-N 0 1 291.354 2.774 20 30 CFEDMN C#CCCN1CCC(C(F)(F)F)(C(F)(F)F)C1 ZINC000760839286 626776721 /nfs/dbraw/zinc/77/67/21/626776721.db2.gz CEKBBMARQJLIAU-UHFFFAOYSA-N 0 1 259.193 2.826 20 30 CFEDMN C#CCN(Cc1cc2c(cc1OC)OCO2)C1CCCC1 ZINC000761203138 626814931 /nfs/dbraw/zinc/81/49/31/626814931.db2.gz JHCGJHMPPRXQPR-UHFFFAOYSA-N 0 1 287.359 2.802 20 30 CFEDMN CSc1ccc(C(C)=NNc2cnn(C)c2)cc1 ZINC000761863633 626866157 /nfs/dbraw/zinc/86/61/57/626866157.db2.gz BPMOLDQDRRJYAP-UHFFFAOYSA-N 0 1 260.366 2.978 20 30 CFEDMN CC(C)CC(=NNc1cnn(C)c1)c1ccccn1 ZINC000761881512 626869242 /nfs/dbraw/zinc/86/92/42/626869242.db2.gz QOAWUTVJLWNOMW-UHFFFAOYSA-N 0 1 257.341 2.677 20 30 CFEDMN CC(C)Oc1ccccc1CN=Nc1cnn(C)c1 ZINC000761885083 626870451 /nfs/dbraw/zinc/87/04/51/626870451.db2.gz NXBRSGTUPNTTNX-UHFFFAOYSA-N 0 1 258.325 2.653 20 30 CFEDMN C#CCN1CCC[C@H]1COC(=O)[C@H](C)C(CC)CC ZINC000762063285 626885525 /nfs/dbraw/zinc/88/55/25/626885525.db2.gz UQQBLJYDAKGYRR-HIFRSBDPSA-N 0 1 265.397 2.700 20 30 CFEDMN C=CCCCCCN(C)CN1C[C@@H](C2CC2)CC1=O ZINC000762493026 626918204 /nfs/dbraw/zinc/91/82/04/626918204.db2.gz CDWKFIVBBAVDBL-HNNXBMFYSA-N 0 1 264.413 2.881 20 30 CFEDMN CCc1nc([C@H](C)NCc2ccc(O[C@H](C)C#N)cc2)n[nH]1 ZINC000762627448 626926962 /nfs/dbraw/zinc/92/69/62/626926962.db2.gz IQVVQCWEBAGBGY-NEPJUHHUSA-N 0 1 299.378 2.509 20 30 CFEDMN C[C@H]1CC/C(=C\C(=O)Nc2cc(C#N)ccc2O)C1 ZINC000762816905 626940203 /nfs/dbraw/zinc/94/02/03/626940203.db2.gz DLGITVHLGSOORA-NGPGYTDTSA-N 0 1 256.305 2.949 20 30 CFEDMN CCOc1cccc(C=NNc2ccc(C)cn2)n1 ZINC000763172674 626968257 /nfs/dbraw/zinc/96/82/57/626968257.db2.gz ULPXYVBSLQBSFG-UHFFFAOYSA-N 0 1 256.309 2.630 20 30 CFEDMN CCC(=NNC1=NC[C@@H](C)N1)c1cccc(Cl)c1F ZINC000763405350 626985785 /nfs/dbraw/zinc/98/57/85/626985785.db2.gz DFBKILYBWMBAQA-MRVPVSSYSA-N 0 1 282.750 2.531 20 30 CFEDMN C[C@H](C#N)Oc1ccc(CNCc2ccc(F)cn2)cc1 ZINC000763522905 626994173 /nfs/dbraw/zinc/99/41/73/626994173.db2.gz SJXFJWSRCIWKDQ-GFCCVEGCSA-N 0 1 285.322 2.801 20 30 CFEDMN C=CCN(Cc1cccs1)C[C@H]1CC2(CC2)C(=O)O1 ZINC000763648871 627002631 /nfs/dbraw/zinc/00/26/31/627002631.db2.gz JWRZPXKVIWQLSV-GFCCVEGCSA-N 0 1 277.389 2.832 20 30 CFEDMN C#CC[N@H+](Cc1cccc(Br)c1[O-])C1CC1 ZINC000764678002 627083438 /nfs/dbraw/zinc/08/34/38/627083438.db2.gz YTXWUABGLADRTN-UHFFFAOYSA-N 0 1 280.165 2.752 20 30 CFEDMN COc1ccsc1CN=Nc1ccc(F)cn1 ZINC000764692204 627085074 /nfs/dbraw/zinc/08/50/74/627085074.db2.gz NIHQZJZUWPZAIN-UHFFFAOYSA-N 0 1 251.286 2.737 20 30 CFEDMN C[C@@H]1CC(NC(=O)c2cncc(-c3ccccc3)c2)=NO1 ZINC000765376981 627133621 /nfs/dbraw/zinc/13/36/21/627133621.db2.gz RHLBPPIQAXSIIR-LLVKDONJSA-N 0 1 281.315 2.601 20 30 CFEDMN C[C@@H]1CC(=NC(=O)c2cc(C3CC3)nc3ccccc32)NO1 ZINC000765377791 627133786 /nfs/dbraw/zinc/13/37/86/627133786.db2.gz WSLJCBQIKZSREV-SNVBAGLBSA-N 0 1 295.342 2.964 20 30 CFEDMN O=C([O-])c1cc(N=NC2CC[N@H+]3CCC[C@H]23)ccc1Cl ZINC000765548874 627146654 /nfs/dbraw/zinc/14/66/54/627146654.db2.gz PGDCWNPLDUJRSE-CYBMUJFWSA-N 0 1 293.754 2.674 20 30 CFEDMN Cc1ccccc1NC(=S)NN=C1CCN2CCC[C@@H]12 ZINC000765556675 627147355 /nfs/dbraw/zinc/14/73/55/627147355.db2.gz WPLZXEKWXWGTOM-AWEZNQCLSA-N 0 1 288.420 2.506 20 30 CFEDMN COc1cc(C(C)=NNCCN2CCCCC2)ccc1F ZINC000765572839 627147628 /nfs/dbraw/zinc/14/76/28/627147628.db2.gz FIYYUPGYHBOSER-UHFFFAOYSA-N 0 1 293.386 2.634 20 30 CFEDMN O=c1c2ccccc2[nH]c(=S)n1N=C1CC(C(F)F)C1 ZINC000766020336 627172396 /nfs/dbraw/zinc/17/23/96/627172396.db2.gz WGFQRVSETQKMIW-UHFFFAOYSA-N 0 1 295.314 2.564 20 30 CFEDMN C#CCCCSc1nc(-c2ccc(OC)cc2)n[nH]1 ZINC000766284197 627190591 /nfs/dbraw/zinc/19/05/91/627190591.db2.gz NNFCBSKAKJZKBY-UHFFFAOYSA-N 0 1 273.361 2.986 20 30 CFEDMN COC(=O)c1coc(C(C)=NNc2cc(Cl)ccn2)c1 ZINC000766455180 627204191 /nfs/dbraw/zinc/20/41/91/627204191.db2.gz QBKXNPUWDUHAFJ-UHFFFAOYSA-N 0 1 293.710 2.951 20 30 CFEDMN N#Cc1c2c(cn(CN(C3CC3)C3CCCC3)c1=O)CCC2 ZINC000766611335 627211087 /nfs/dbraw/zinc/21/10/87/627211087.db2.gz CYGORYPHDVTLJD-UHFFFAOYSA-N 0 1 297.402 2.573 20 30 CFEDMN C#CCCCN(CC)Cc1nc2ccccc2c(=O)[nH]1 ZINC000766895168 627225240 /nfs/dbraw/zinc/22/52/40/627225240.db2.gz JJIPYSUVOJNQLT-UHFFFAOYSA-N 0 1 269.348 2.571 20 30 CFEDMN C=CCN(CCC(=O)C1CC1)Cc1cccc(C#N)c1 ZINC000767351074 627244577 /nfs/dbraw/zinc/24/45/77/627244577.db2.gz SXRRLQVXZUUXHQ-UHFFFAOYSA-N 0 1 268.360 2.915 20 30 CFEDMN Cc1cc(Cl)ccc1C=NNC1=N[C@@H]2CCCC[C@@H]2N1 ZINC000767386110 627247481 /nfs/dbraw/zinc/24/74/81/627247481.db2.gz BDKIFCAEMDDYNB-OKILXGFUSA-N 0 1 290.798 2.842 20 30 CFEDMN Cc1cc(C[C@H](C)NC(=S)Nc2ccccc2C#N)n[nH]1 ZINC000767704901 627277778 /nfs/dbraw/zinc/27/77/78/627277778.db2.gz CNAFZENIVDTQBN-JTQLQIEISA-N 0 1 299.403 2.507 20 30 CFEDMN CC(=NNc1cc(C#N)cc(Cl)n1)c1cncs1 ZINC000768381744 627339658 /nfs/dbraw/zinc/33/96/58/627339658.db2.gz LVAVDOZWMXWYOV-UHFFFAOYSA-N 0 1 277.740 2.899 20 30 CFEDMN CC(C)c1csc(C(C#N)C(=O)C2=CCOCC2)n1 ZINC000768550201 627353669 /nfs/dbraw/zinc/35/36/69/627353669.db2.gz BYFVBRCGVRUEPF-LLVKDONJSA-N 0 1 276.361 2.789 20 30 CFEDMN CC/C=C/CCON=C(N)c1ccc(N(C)C)cc1 ZINC000768927788 627386999 /nfs/dbraw/zinc/38/69/99/627386999.db2.gz TXOBOGWDVHSPNB-AATRIKPKSA-N 0 1 261.369 2.746 20 30 CFEDMN CN(Cc1cc(C#N)cs1)C[C@@H](O)c1ccc(F)cc1 ZINC000769335085 627425666 /nfs/dbraw/zinc/42/56/66/627425666.db2.gz SWIIXCCXKLUMIS-OAHLLOKOSA-N 0 1 290.363 2.924 20 30 CFEDMN CCC(N=Nc1ccc(F)c([N+](=O)[O-])c1)c1cnn(C)c1 ZINC000769822326 627478895 /nfs/dbraw/zinc/47/88/95/627478895.db2.gz JCNBNBRRIBCBBZ-UHFFFAOYSA-N 0 1 291.286 2.694 20 30 CFEDMN C[C@@H]1CN(C)CC1N=Nc1c(F)cccc1Cl ZINC000769826400 627480040 /nfs/dbraw/zinc/48/00/40/627480040.db2.gz FOMMKSKIQXKFMU-MRVPVSSYSA-N 0 1 255.724 2.829 20 30 CFEDMN N#C[C@H]1CC[C@H](NCc2nc3c(s2)CCCC3)C1 ZINC000769940800 627489913 /nfs/dbraw/zinc/48/99/13/627489913.db2.gz CQACCNOCJSOMFC-QWRGUYRKSA-N 0 1 261.394 2.804 20 30 CFEDMN N#C[C@@H]1CC[C@@H]([NH2+]Cc2cc(Cl)ccc2[O-])C1 ZINC000769944187 627489915 /nfs/dbraw/zinc/48/99/15/627489915.db2.gz LIFVSJHSXKSTSV-BXKDBHETSA-N 0 1 250.729 2.827 20 30 CFEDMN C=CC[C@H]1N(CCS(=O)(=O)CCC)CCCC1(C)C ZINC000769953481 627490668 /nfs/dbraw/zinc/49/06/68/627490668.db2.gz NTOWLJITMLZPKB-CQSZACIVSA-N 0 1 287.469 2.878 20 30 CFEDMN C#C[C@@H](C)N(C)Cc1cc(=O)oc2cc3c(cc12)CCC3 ZINC000769963092 627492189 /nfs/dbraw/zinc/49/21/89/627492189.db2.gz RVESJSKGNLOGDS-GFCCVEGCSA-N 0 1 281.355 2.735 20 30 CFEDMN C=C(CC)COC(=O)c1ccc(-c2nnc[nH]2)cc1 ZINC000770576379 627531197 /nfs/dbraw/zinc/53/11/97/627531197.db2.gz VHZTVPGRSQYXSG-UHFFFAOYSA-N 0 1 257.293 2.595 20 30 CFEDMN C#CC[C@@H](NCc1cn(C)nc1CC)c1ccccc1 ZINC000770742777 627545574 /nfs/dbraw/zinc/54/55/74/627545574.db2.gz XKQDLHIUYOZDAH-QGZVFWFLSA-N 0 1 267.376 2.837 20 30 CFEDMN COc1cccc(-c2nc(C)c(C(=O)O[C@@H](C)CC#N)[nH]2)c1 ZINC000772664666 627732808 /nfs/dbraw/zinc/73/28/08/627732808.db2.gz VYOQASBZYXHDGH-JTQLQIEISA-N 0 1 299.330 2.853 20 30 CFEDMN C=Cn1cc(C=NN=c2ccc3ccccc3[nH]2)cn1 ZINC000772999620 627766639 /nfs/dbraw/zinc/76/66/39/627766639.db2.gz SEVLXJISOYZQQH-UHFFFAOYSA-N 0 1 263.304 2.978 20 30 CFEDMN C=Cn1cc(CN=Nc2ccc3ccccc3n2)cn1 ZINC000772999620 627766643 /nfs/dbraw/zinc/76/66/43/627766643.db2.gz SEVLXJISOYZQQH-UHFFFAOYSA-N 0 1 263.304 2.978 20 30 CFEDMN CC(C)c1nccnc1NN=Cc1ccccc1C#N ZINC000773091459 627782651 /nfs/dbraw/zinc/78/26/51/627782651.db2.gz PUGKQMOREAGZHG-UHFFFAOYSA-N 0 1 265.320 2.918 20 30 CFEDMN C#CCN1CCC[C@@H]1COC(=O)/C(C)=C/C(C)(C)C ZINC000774063825 627883596 /nfs/dbraw/zinc/88/35/96/627883596.db2.gz RQSQOSPZPXJLDV-YPDDLIOESA-N 0 1 263.381 2.620 20 30 CFEDMN CCCCCCCC(=O)N1CCN(C)C(C)(C)C1 ZINC000774249078 627908122 /nfs/dbraw/zinc/90/81/22/627908122.db2.gz IIQOMXHUZJYPFY-UHFFFAOYSA-N 0 1 254.418 2.900 20 30 CFEDMN C#C[C@H](N[C@H](CC)c1ccc(C#N)cc1)[C@H]1CCCO1 ZINC000774358608 627918424 /nfs/dbraw/zinc/91/84/24/627918424.db2.gz HVBGBKHMWUTDEI-IXDOHACOSA-N 0 1 268.360 2.780 20 30 CFEDMN CCCCCCNC(=O)CN[C@H](C)c1cccc(C#N)c1 ZINC000775337136 628010812 /nfs/dbraw/zinc/01/08/12/628010812.db2.gz AAEVBZYBAKHVLG-CQSZACIVSA-N 0 1 287.407 2.905 20 30 CFEDMN C#C[C@H](NCc1ccc2ncccc2c1)[C@H]1CCCO1 ZINC000775340215 628011410 /nfs/dbraw/zinc/01/14/10/628011410.db2.gz GBRBDIDTBOTVSC-DOTOQJQBSA-N 0 1 266.344 2.505 20 30 CFEDMN C#C[C@@H](NCc1ccc(OCC=C)cc1)[C@@H]1CCCO1 ZINC000775339271 628011940 /nfs/dbraw/zinc/01/19/40/628011940.db2.gz BDVMBPKJMZIKMA-SJORKVTESA-N 0 1 271.360 2.522 20 30 CFEDMN C#C[C@@H](NCc1ccc(OCC(C)C)cc1)[C@@H]1CCCO1 ZINC000775339636 628011955 /nfs/dbraw/zinc/01/19/55/628011955.db2.gz CQQLQGHNQVSVMC-MSOLQXFVSA-N 0 1 287.403 2.992 20 30 CFEDMN C#C[C@H](NCc1ccc(Cl)c(F)c1)[C@H]1CCCO1 ZINC000775342397 628012174 /nfs/dbraw/zinc/01/21/74/628012174.db2.gz QTRFXLAGDRAMOH-UONOGXRCSA-N 0 1 267.731 2.750 20 30 CFEDMN C#C[C@@H](NCc1cccc(OCC=C)c1)[C@H]1CCCO1 ZINC000775341156 628012388 /nfs/dbraw/zinc/01/23/88/628012388.db2.gz KHNKDJINMCHYIV-IAGOWNOFSA-N 0 1 271.360 2.522 20 30 CFEDMN C#C[C@H](NCc1ccc(SC)cc1)[C@H]1CCCO1 ZINC000775346544 628014114 /nfs/dbraw/zinc/01/41/14/628014114.db2.gz CGNABXVCGNYPKY-LSDHHAIUSA-N 0 1 261.390 2.679 20 30 CFEDMN C#C[C@H](NCc1ccc(SC)c(OC)c1)[C@H]1CCCO1 ZINC000775347490 628014261 /nfs/dbraw/zinc/01/42/61/628014261.db2.gz GZFCMJKMKKFJRH-UONOGXRCSA-N 0 1 291.416 2.688 20 30 CFEDMN C#C[C@H](NCc1cc(C)c2ncccc2c1)[C@@H]1CCCO1 ZINC000775346594 628014478 /nfs/dbraw/zinc/01/44/78/628014478.db2.gz VPWNHUSPRIYNJZ-IRXDYDNUSA-N 0 1 280.371 2.814 20 30 CFEDMN C#CC[C@@H](NCc1cc(=O)c(OC)co1)c1ccccc1 ZINC000775401641 628020859 /nfs/dbraw/zinc/02/08/59/628020859.db2.gz XCNPCKPVLPLLME-OAHLLOKOSA-N 0 1 283.327 2.503 20 30 CFEDMN C#C[C@H](N[C@@H](C)c1ccc(OC)c(OC)c1)[C@H]1CCCO1 ZINC000775571166 628039508 /nfs/dbraw/zinc/03/95/08/628039508.db2.gz BIILHHKFRRLJEO-AEGPPILISA-N 0 1 289.375 2.535 20 30 CFEDMN C#C[C@H](N[C@H](CCOC)c1ccccc1)[C@@H]1CCCO1 ZINC000775795253 628069579 /nfs/dbraw/zinc/06/95/79/628069579.db2.gz VRBGEWOQENIMBQ-BBWFWOEESA-N 0 1 273.376 2.535 20 30 CFEDMN C#CCCN1CCN([C@H](C)c2ccc(F)cc2)CC1 ZINC000776594495 628163059 /nfs/dbraw/zinc/16/30/59/628163059.db2.gz JRVKULVYPHCGFK-CQSZACIVSA-N 0 1 260.356 2.528 20 30 CFEDMN Fc1cc(Cl)cc(C=NNC2=N[C@H]3CCCC[C@@H]3N2)c1 ZINC000776727081 628171395 /nfs/dbraw/zinc/17/13/95/628171395.db2.gz ZLJKMYBZSQZHDY-STQMWFEESA-N 0 1 294.761 2.673 20 30 CFEDMN C[C@H]1CC(=NC(=O)c2coc(C3CCCCC3)n2)NO1 ZINC000777281709 628212463 /nfs/dbraw/zinc/21/24/63/628212463.db2.gz TWMKDVWJMOACTM-VIFPVBQESA-N 0 1 277.324 2.574 20 30 CFEDMN COC[C@@H](C)NN=Cc1c(Cl)cccc1N1CCCC1 ZINC000777895511 628262463 /nfs/dbraw/zinc/26/24/63/628262463.db2.gz ZLHYPTJATZCVNS-GFCCVEGCSA-N 0 1 295.814 2.899 20 30 CFEDMN Oc1ccc(C=NNc2cc(Cl)ccn2)c(O)c1 ZINC000777907447 628264400 /nfs/dbraw/zinc/26/44/00/628264400.db2.gz UZPJVJKWHLCSBX-UHFFFAOYSA-N 0 1 263.684 2.592 20 30 CFEDMN CCCCCCCCN1CC[C@@H](OC)C[C@H]1C(=O)OC ZINC000778232184 628290509 /nfs/dbraw/zinc/29/05/09/628290509.db2.gz GJHLGADZTCWIJR-CABCVRRESA-N 0 1 285.428 2.999 20 30 CFEDMN CC[C@H](C(=O)O[C@H](C)C(C)(C)C#N)N(CC)CC ZINC000778690915 628325501 /nfs/dbraw/zinc/32/55/01/628325501.db2.gz VREAAVQOYAYETC-VXGBXAGGSA-N 0 1 254.374 2.588 20 30 CFEDMN C#C[C@@](C)(CC)N[C@H](C)C(=O)Nc1ccc(CC)cc1 ZINC000852097310 634650988 /nfs/dbraw/zinc/65/09/88/634650988.db2.gz NSYNPELWBMXGMK-DYVFJYSZSA-N 0 1 272.392 2.968 20 30 CFEDMN C=CC[C@@H](C(=O)NOC1CCOCC1)c1ccccc1 ZINC000779100738 628352422 /nfs/dbraw/zinc/35/24/22/628352422.db2.gz KFWUHTNIXTXMES-OAHLLOKOSA-N 0 1 275.348 2.573 20 30 CFEDMN C#CCOc1ccccc1CN[C@@H](C)c1c[nH]nc1C ZINC000779105506 628353123 /nfs/dbraw/zinc/35/31/23/628353123.db2.gz YOWJITQUZGMFCR-LBPRGKRZSA-N 0 1 269.348 2.581 20 30 CFEDMN C#CCOc1cccc(Cl)c1CN1CC[C@@H]([C@@H](C)O)C1 ZINC000779166226 628357816 /nfs/dbraw/zinc/35/78/16/628357816.db2.gz VZABQVOUXZTCBG-CHWSQXEVSA-N 0 1 293.794 2.555 20 30 CFEDMN COc1cccc(NN=Cc2ccc(O)c(Cl)c2)n1 ZINC000779820308 628411301 /nfs/dbraw/zinc/41/13/01/628411301.db2.gz GTUPRZJKHYVCQJ-UHFFFAOYSA-N 0 1 277.711 2.895 20 30 CFEDMN C#C[C@@](C)(CC)N[C@@H](C)C(=O)Nc1cccc2ncccc21 ZINC000852099809 634654392 /nfs/dbraw/zinc/65/43/92/634654392.db2.gz BAQATHOCMFEREO-UGSOOPFHSA-N 0 1 295.386 2.953 20 30 CFEDMN C#CCCCCCC(=O)N1C[C@H](C)N(CC)C[C@@H]1C ZINC000780016085 628426915 /nfs/dbraw/zinc/42/69/15/628426915.db2.gz CMNAMGALPMIZCV-GJZGRUSLSA-N 0 1 264.413 2.511 20 30 CFEDMN COC(=O)c1ccccc1N=NC1CCc2cc(O)ccc21 ZINC000780234546 628442322 /nfs/dbraw/zinc/44/23/22/628442322.db2.gz BVCPIDOLRXMEEF-UHFFFAOYSA-N 0 1 296.326 2.941 20 30 CFEDMN CC(=NN[C@@H]1CCCOC1)c1[nH]c(-c2ccccc2)nc1C ZINC000780258659 628446528 /nfs/dbraw/zinc/44/65/28/628446528.db2.gz VFDUMUIMOATGME-OAHLLOKOSA-N 0 1 298.390 2.878 20 30 CFEDMN COc1ccc(N=NC(C)c2cnccc2C)nc1 ZINC000780267376 628448034 /nfs/dbraw/zinc/44/80/34/628448034.db2.gz LEGHAKAFVNFSRH-UHFFFAOYSA-N 0 1 256.309 2.630 20 30 CFEDMN COc1ccc(N=NC(C)c2ccc(C#N)c(F)c2)nc1 ZINC000780269818 628448494 /nfs/dbraw/zinc/44/84/94/628448494.db2.gz XPXPMFSEBDVLIP-UHFFFAOYSA-N 0 1 284.294 2.937 20 30 CFEDMN COc1ccc(N=NCc2cccc(OC)c2)nc1 ZINC000780271103 628449006 /nfs/dbraw/zinc/44/90/06/628449006.db2.gz PODAVHAAOTXALB-UHFFFAOYSA-N 0 1 257.293 2.545 20 30 CFEDMN C#C[C@@](C)(CC)NCc1ccc(C(=O)OC)cc1F ZINC000852102159 634656268 /nfs/dbraw/zinc/65/62/68/634656268.db2.gz WLQNJXSRBHRVSG-HNNXBMFYSA-N 0 1 263.312 2.504 20 30 CFEDMN COc1ccc(N=NC2CCc3c2cccc3F)nc1 ZINC000780271850 628449277 /nfs/dbraw/zinc/44/92/77/628449277.db2.gz YKFASKPCMWCTOL-UHFFFAOYSA-N 0 1 271.295 2.992 20 30 CFEDMN CCc1ccc(CNCc2ccc(C#N)cn2)s1 ZINC000780557135 628475910 /nfs/dbraw/zinc/47/59/10/628475910.db2.gz USOZWPFBORDPAJ-UHFFFAOYSA-N 0 1 257.362 2.867 20 30 CFEDMN CC(N=Nc1ccnc(F)c1)c1ccc(-n2cncn2)cc1 ZINC000781133562 628524948 /nfs/dbraw/zinc/52/49/48/628524948.db2.gz OSVDJNWPBIIRGK-UHFFFAOYSA-N 0 1 296.309 2.638 20 30 CFEDMN Cc1ccc([C@H](O)CN[C@@H](C)c2ccc(C#N)cc2F)o1 ZINC000781423422 628547716 /nfs/dbraw/zinc/54/77/16/628547716.db2.gz QBZXORDLTKYDRR-XHDPSFHLSA-N 0 1 288.322 2.983 20 30 CFEDMN C[C@@]1(C(=O)C(C#N)c2nc3ccccc3o2)CCCOC1 ZINC000781448720 628548963 /nfs/dbraw/zinc/54/89/63/628548963.db2.gz PKTWJQCGGGUPJR-BDJLRTHQSA-N 0 1 284.315 2.821 20 30 CFEDMN CCCCCCCN1CCN(c2cc(F)ncn2)CC1 ZINC000852129940 634666742 /nfs/dbraw/zinc/66/67/42/634666742.db2.gz GDTYUVPZEPVKQR-UHFFFAOYSA-N 0 1 280.391 2.708 20 30 CFEDMN C#CCOCCN(C)[C@@H](C)c1nc2ccc(Cl)cc2[nH]1 ZINC000852126399 634666802 /nfs/dbraw/zinc/66/68/02/634666802.db2.gz ATMDXEVFKJZDKH-NSHDSACASA-N 0 1 291.782 2.859 20 30 CFEDMN C#CCCN1CCN(C(=O)OC(C)(C)C)C[C@@H]1CCC ZINC000782094298 628603713 /nfs/dbraw/zinc/60/37/13/628603713.db2.gz AHHGQWORDUQGCK-AWEZNQCLSA-N 0 1 280.412 2.731 20 30 CFEDMN N#CCC1CCN(C[C@@H](O)c2cc(F)ccc2F)CC1 ZINC000782088403 628603817 /nfs/dbraw/zinc/60/38/17/628603817.db2.gz KNAYQCYYXISIIY-OAHLLOKOSA-N 0 1 280.318 2.624 20 30 CFEDMN CN(C)c1ncc(C=NN[C@@H]2CCCC2(C)C)s1 ZINC000782303682 628626634 /nfs/dbraw/zinc/62/66/34/628626634.db2.gz YDYQFQXRSNFFPI-LLVKDONJSA-N 0 1 266.414 2.711 20 30 CFEDMN N#C[C@H](C(=O)C1(Cc2ccc(F)cc2)CC1)c1ccncn1 ZINC000783134460 628677773 /nfs/dbraw/zinc/67/77/73/628677773.db2.gz QDOSFHUDQIZVGW-AWEZNQCLSA-N 0 1 295.317 2.815 20 30 CFEDMN N#Cc1ccc(CN[C@H]2CCc3cc(F)ccc32)nc1 ZINC000783300368 628698833 /nfs/dbraw/zinc/69/88/33/628698833.db2.gz LMEYDCSETVDEMX-INIZCTEOSA-N 0 1 267.307 2.869 20 30 CFEDMN Cc1nc2c(s1)[C@H](NCc1ccc(C#N)cn1)CCC2 ZINC000783300496 628698884 /nfs/dbraw/zinc/69/88/84/628698884.db2.gz NRYYBQPESVYJMO-CYBMUJFWSA-N 0 1 284.388 2.885 20 30 CFEDMN CN(C)c1ccc(C(N)=NOCCC(C)(C)C)cc1 ZINC000783552306 628719417 /nfs/dbraw/zinc/71/94/17/628719417.db2.gz AQXNKOBUJMLJGE-UHFFFAOYSA-N 0 1 263.385 2.826 20 30 CFEDMN C=CCCN(OCc1ccccc1)C(=O)[C@H](CC)N(C)C ZINC000783871662 628752332 /nfs/dbraw/zinc/75/23/32/628752332.db2.gz XFOZJQTZEHJCTG-INIZCTEOSA-N 0 1 290.407 2.863 20 30 CFEDMN CC[C@@H](C)CCCCC(=O)C(C#N)C(=O)N1CCCC1 ZINC000784834671 628844295 /nfs/dbraw/zinc/84/42/95/628844295.db2.gz MOYJNTIBZHUSAA-KGLIPLIRSA-N 0 1 278.396 2.924 20 30 CFEDMN CC[C@H](C)CCCCC(=O)C(C#N)C(=O)NC(C)C ZINC000784829725 628844303 /nfs/dbraw/zinc/84/43/03/628844303.db2.gz YQYAIWHDLOGVQV-STQMWFEESA-N 0 1 266.385 2.826 20 30 CFEDMN CC[C@H](C)CCCCC(=O)C(C#N)C(=O)NC1CC1 ZINC000784827843 628844599 /nfs/dbraw/zinc/84/45/99/628844599.db2.gz ABHSSCBYUXLDHN-WCQYABFASA-N 0 1 264.369 2.580 20 30 CFEDMN C#CCOc1ccc(NC(=O)c2ccc(C#N)c(O)c2)cc1 ZINC000785415030 628881045 /nfs/dbraw/zinc/88/10/45/628881045.db2.gz FMLGIYNOKFIJIF-UHFFFAOYSA-N 0 1 292.294 2.528 20 30 CFEDMN C#C[C@@H](NCc1ccc2cnccc2c1)[C@H]1CCCO1 ZINC000785513124 628890737 /nfs/dbraw/zinc/89/07/37/628890737.db2.gz GLLZDZYQKICTIA-IAGOWNOFSA-N 0 1 266.344 2.505 20 30 CFEDMN C[C@@H]1CC[C@H](C)N1CC(=O)OCc1ccc(CC#N)cc1 ZINC000785728811 628907786 /nfs/dbraw/zinc/90/77/86/628907786.db2.gz JEIROUWOMDOGTC-OKILXGFUSA-N 0 1 286.375 2.669 20 30 CFEDMN C[C@@H]1CC[C@@H](C)N1CC(=O)OCc1ccc(F)c(C#N)c1 ZINC000785736266 628909541 /nfs/dbraw/zinc/90/95/41/628909541.db2.gz VPTKNXVCEQIKRW-VXGBXAGGSA-N 0 1 290.338 2.613 20 30 CFEDMN C#Cc1cccc(NC(=O)c2ccc3cncn3c2)c1 ZINC000785767683 628912432 /nfs/dbraw/zinc/91/24/32/628912432.db2.gz XLUGXMKPGMNQGY-UHFFFAOYSA-N 0 1 261.284 2.568 20 30 CFEDMN C=CC[C@H](NC(=O)c1ccc2cncn2c1)c1ccncc1 ZINC000786171653 628941304 /nfs/dbraw/zinc/94/13/04/628941304.db2.gz SKNAPYAFXMLAOV-INIZCTEOSA-N 0 1 292.342 2.777 20 30 CFEDMN N#C[C@@H](C(=O)[C@@H]1CCCN1c1ccccc1)c1ccccn1 ZINC000786299055 628947097 /nfs/dbraw/zinc/94/70/97/628947097.db2.gz NBSPHTBJJCECFL-WBVHZDCISA-N 0 1 291.354 2.927 20 30 CFEDMN CCCC(C)(C)CC(=O)C(C#N)C(=O)N1CCCC1 ZINC000786296613 628947223 /nfs/dbraw/zinc/94/72/23/628947223.db2.gz KKVPRZASSYIWOJ-LBPRGKRZSA-N 0 1 264.369 2.534 20 30 CFEDMN N#C[C@@H](C(=O)[C@H]1CCCN1c1ccccc1)c1ccccn1 ZINC000786299053 628947289 /nfs/dbraw/zinc/94/72/89/628947289.db2.gz NBSPHTBJJCECFL-NVXWUHKLSA-N 0 1 291.354 2.927 20 30 CFEDMN Cc1cccc(CNC(=O)C(C#N)C(=O)[C@@H]2C[C@H]2C(C)C)c1 ZINC000786543011 628967757 /nfs/dbraw/zinc/96/77/57/628967757.db2.gz QXXFJUWATWUDJS-ARFHVFGLSA-N 0 1 298.386 2.612 20 30 CFEDMN CCC#C[C@@H](C)N1CCC[C@@H](NC(=O)OC(C)(C)C)C1 ZINC000787354104 629008769 /nfs/dbraw/zinc/00/87/69/629008769.db2.gz CTNBJJOZKYUIPS-ZIAGYGMSSA-N 0 1 280.412 2.777 20 30 CFEDMN CCCCCCCCOCC(=O)N1CCN2CCC1CC2 ZINC000787505688 629016193 /nfs/dbraw/zinc/01/61/93/629016193.db2.gz ULSDQFJOTYGIGJ-UHFFFAOYSA-N 0 1 296.455 2.670 20 30 CFEDMN CC#CC(=O)N1CCN(Cc2ccccc2)[C@@H](CCC)C1 ZINC000788307716 629057893 /nfs/dbraw/zinc/05/78/93/629057893.db2.gz FVNBLATWQKOXOB-KRWDZBQOSA-N 0 1 284.403 2.523 20 30 CFEDMN O=c1[nH]ccc2cc(N=NC3CCn4cccc43)ccc21 ZINC000789059515 629121584 /nfs/dbraw/zinc/12/15/84/629121584.db2.gz DJTSRZQWNRLZPX-UHFFFAOYSA-N 0 1 278.315 2.550 20 30 CFEDMN c1ccc(CCNN=C2CCCNc3ccccc32)nc1 ZINC000789104432 629127116 /nfs/dbraw/zinc/12/71/16/629127116.db2.gz DDXIQOAMDUKKOU-UHFFFAOYSA-N 0 1 280.375 2.824 20 30 CFEDMN Cc1ccc2nc(/C=C\C(=O)c3ccc(O)cc3O)cn2c1 ZINC000789142804 629129038 /nfs/dbraw/zinc/12/90/38/629129038.db2.gz MDEVINRUMBJCSM-UTCJRWHESA-N 0 1 294.310 2.950 20 30 CFEDMN CCOC1CC(C(=O)[C@H](C#N)c2nc3cccc(C)c3[nH]2)C1 ZINC000805884440 629141474 /nfs/dbraw/zinc/14/14/74/629141474.db2.gz PGXWEGODHRDMMZ-BPCQOVAHSA-N 0 1 297.358 2.863 20 30 CFEDMN CC(=Cc1nc(Cl)cs1)c1nc(C)c(C#N)c(=O)[nH]1 ZINC000789829268 629190336 /nfs/dbraw/zinc/19/03/36/629190336.db2.gz JMBHSQQYGHKCTR-UTCJRWHESA-N 0 1 292.751 2.620 20 30 CFEDMN COc1ccc(NN=Cc2nccn2-c2ccccc2)nc1 ZINC000790176124 629216220 /nfs/dbraw/zinc/21/62/20/629216220.db2.gz NDORPAJBPYSDJC-UHFFFAOYSA-N 0 1 293.330 2.722 20 30 CFEDMN Cc1cccnc1N=NCc1cnn(C(C)(C)C)c1 ZINC000790186350 629217530 /nfs/dbraw/zinc/21/75/30/629217530.db2.gz PBLVOVYUPHAUPG-UHFFFAOYSA-N 0 1 257.341 2.788 20 30 CFEDMN COc1cccc(CN=Nc2ncccc2C)c1O ZINC000790187463 629217551 /nfs/dbraw/zinc/21/75/51/629217551.db2.gz VVILTVULNXPOQP-UHFFFAOYSA-N 0 1 257.293 2.550 20 30 CFEDMN CCn1nc(C)c(CN=Nc2ncccc2C)c1C ZINC000790194313 629218427 /nfs/dbraw/zinc/21/84/27/629218427.db2.gz YGPRNXMYAFGNOG-UHFFFAOYSA-N 0 1 257.341 2.669 20 30 CFEDMN COc1cc(CN=Nc2ncccc2C)ccc1OCC#N ZINC000790192969 629218608 /nfs/dbraw/zinc/21/86/08/629218608.db2.gz LTECUEHTZLHKAA-UHFFFAOYSA-N 0 1 296.330 2.747 20 30 CFEDMN COCC(N=Nc1ncccc1C)c1ccccc1 ZINC000790193052 629218613 /nfs/dbraw/zinc/21/86/13/629218613.db2.gz PZMIAVGDHDGJSU-UHFFFAOYSA-N 0 1 255.321 2.853 20 30 CFEDMN CC[C@@H](C)NN=CC1(CN2CCOCC2)CCCCC1 ZINC000790191866 629218850 /nfs/dbraw/zinc/21/88/50/629218850.db2.gz YXEKGAVMKHTNKP-OAHLLOKOSA-N 0 1 281.444 2.643 20 30 CFEDMN Cn1ccnc1NN=C1CCCc2ccc(F)cc21 ZINC000790299989 629227407 /nfs/dbraw/zinc/22/74/07/629227407.db2.gz NSWDMQMNNYYEPF-UHFFFAOYSA-N 0 1 258.300 2.712 20 30 CFEDMN Cc1cc(C)c2c(c1)C(=NNc1nccn1C)CCO2 ZINC000790302883 629228279 /nfs/dbraw/zinc/22/82/79/629228279.db2.gz ZAFILPTYAKYMNU-UHFFFAOYSA-N 0 1 270.336 2.636 20 30 CFEDMN CCn1cc(C=NNc2nccn2C)c2ccccc21 ZINC000790303390 629228887 /nfs/dbraw/zinc/22/88/87/629228887.db2.gz TYKQELRJTLALNC-UHFFFAOYSA-N 0 1 267.336 2.841 20 30 CFEDMN CCOc1c(Cl)cccc1C=N[N-]c1[nH+]ccn1C ZINC000790305750 629228935 /nfs/dbraw/zinc/22/89/35/629228935.db2.gz NVSMXILVTGNIQG-UHFFFAOYSA-N 0 1 278.743 2.918 20 30 CFEDMN Cn1ccnc1NN=C1CCOc2ccc(Cl)cc21 ZINC000790305909 629229715 /nfs/dbraw/zinc/22/97/15/629229715.db2.gz QNAODVYKBAVVSW-UHFFFAOYSA-N 0 1 276.727 2.672 20 30 CFEDMN C#CCOc1cccc(OC(=O)c2ccc3cncn3c2)c1 ZINC000790460632 629241048 /nfs/dbraw/zinc/24/10/48/629241048.db2.gz RDJZQMSBIXNPBI-UHFFFAOYSA-N 0 1 292.294 2.566 20 30 CFEDMN C[C@H](CN1CCC[C@H](CC#N)C1)NC(=O)OC(C)(C)C ZINC000852318851 634719502 /nfs/dbraw/zinc/71/95/02/634719502.db2.gz CPTXBQGHUYGEPD-CHWSQXEVSA-N 0 1 281.400 2.525 20 30 CFEDMN C[C@H](CN1CCC[C@@H](CC#N)C1)NC(=O)OC(C)(C)C ZINC000852318950 634720255 /nfs/dbraw/zinc/72/02/55/634720255.db2.gz CPTXBQGHUYGEPD-OLZOCXBDSA-N 0 1 281.400 2.525 20 30 CFEDMN CC(=O)Oc1ccc(CN2CCC[C@@H](CC#N)C2)cc1 ZINC000852320321 634721380 /nfs/dbraw/zinc/72/13/80/634721380.db2.gz YZEMEHGSYSTRJU-AWEZNQCLSA-N 0 1 272.348 2.738 20 30 CFEDMN CC[C@H](C)CC(=O)OCC(=O)[C@H](C#N)c1nc(C)cs1 ZINC000791501947 629323231 /nfs/dbraw/zinc/32/32/31/629323231.db2.gz FHEJULTXVDQRJZ-ONGXEEELSA-N 0 1 294.376 2.607 20 30 CFEDMN CC[C@H](C)CC(=O)OCC(=O)C(C#N)c1nc(C)cs1 ZINC000791501947 629323233 /nfs/dbraw/zinc/32/32/33/629323233.db2.gz FHEJULTXVDQRJZ-ONGXEEELSA-N 0 1 294.376 2.607 20 30 CFEDMN CCCCCNC(=O)C(C#N)C(=O)[C@@H]1CCC[C@@H]1CC ZINC000835057138 629361972 /nfs/dbraw/zinc/36/19/72/629361972.db2.gz RCWMLAVIWOQELA-BFHYXJOUSA-N 0 1 278.396 2.828 20 30 CFEDMN CC[C@@H](C)CC(=O)C(C#N)C(=O)NCc1cccc(C)c1 ZINC000791890452 629372562 /nfs/dbraw/zinc/37/25/62/629372562.db2.gz IIRJCMWMAKSQCB-IUODEOHRSA-N 0 1 286.375 2.756 20 30 CFEDMN CC[C@@H]1CCC[C@@H]1C(=O)C(C#N)C(=O)Nc1ccccn1 ZINC000835076873 629372807 /nfs/dbraw/zinc/37/28/07/629372807.db2.gz MGAFYIBQFGAQDY-AGIUHOORSA-N 0 1 285.347 2.555 20 30 CFEDMN C[C@@H]1CC[C@H](C(=O)C(C#N)C(=O)Nc2ccccn2)C[C@H]1C ZINC000835077819 629373477 /nfs/dbraw/zinc/37/34/77/629373477.db2.gz WZSNDXVUZMZYFB-MQYQWHSLSA-N 0 1 299.374 2.801 20 30 CFEDMN CC(C)[C@@H](F)C(=O)[C@H](C#N)c1cnc2ccccc2n1 ZINC000792110479 629398223 /nfs/dbraw/zinc/39/82/23/629398223.db2.gz QGLDISFJEMHAOT-QMTHXVAHSA-N 0 1 271.295 2.800 20 30 CFEDMN C#C[C@@H](NCCOc1ccc(Cl)c(F)c1)[C@H]1CCCO1 ZINC000792285020 629417867 /nfs/dbraw/zinc/41/78/67/629417867.db2.gz CWROGWJFYGDRFJ-HUUCEWRRSA-N 0 1 297.757 2.628 20 30 CFEDMN N#Cc1ccccc1COC(=O)c1ccc2cncn2c1 ZINC000792547136 629432978 /nfs/dbraw/zinc/43/29/78/629432978.db2.gz TYJACMYXTIBIKV-UHFFFAOYSA-N 0 1 277.283 2.563 20 30 CFEDMN N#CC(C(=O)Cc1cc(F)c(F)cc1F)c1ccccn1 ZINC000793122442 629489976 /nfs/dbraw/zinc/48/99/76/629489976.db2.gz BZNMSEJZLGRRKC-JTQLQIEISA-N 0 1 290.244 2.918 20 30 CFEDMN C[C@@H](OC(=O)c1ccc(-c2nnc[nH]2)cc1)C(C)(C)C#N ZINC000793177796 629500095 /nfs/dbraw/zinc/50/00/95/629500095.db2.gz KJJJEJNOUFEBBR-SNVBAGLBSA-N 0 1 284.319 2.567 20 30 CFEDMN C#CCOc1ccc(CN2C[C@H](C)O[C@@H](C3CC3)C2)cc1 ZINC000793215755 629506673 /nfs/dbraw/zinc/50/66/73/629506673.db2.gz WLOCZOXHHONBBM-KBXCAEBGSA-N 0 1 285.387 2.698 20 30 CFEDMN CC(C)(C)C#CCOC(=O)c1cccc(-c2nnc[nH]2)c1 ZINC000793323460 629526529 /nfs/dbraw/zinc/52/65/29/629526529.db2.gz CDNMYEWYOJVUHU-UHFFFAOYSA-N 0 1 283.331 2.678 20 30 CFEDMN CC(C)[C@H](C)N(C)Cn1cc2c(c(C#N)c1=O)CCCC2 ZINC000793483608 629554892 /nfs/dbraw/zinc/55/48/92/629554892.db2.gz NTOXHFKOKVAPTF-ZDUSSCGKSA-N 0 1 287.407 2.533 20 30 CFEDMN CC[C@H](C)CC[C@H](O)CC(=O)Nc1cc(C#N)ccc1O ZINC000793736100 629589619 /nfs/dbraw/zinc/58/96/19/629589619.db2.gz VCQLMALGVUGMEV-AAEUAGOBSA-N 0 1 290.363 2.780 20 30 CFEDMN Cc1ccncc1C=NNc1nnc(-c2ccccc2)n1C ZINC000794496414 629651005 /nfs/dbraw/zinc/65/10/05/629651005.db2.gz ZWFQTBKNUXRZSM-UHFFFAOYSA-N 0 1 292.346 2.632 20 30 CFEDMN C[C@@H]1CCC[C@@H](C)N1CC(N)=NOCCC(C)(C)C#N ZINC000794528624 629655197 /nfs/dbraw/zinc/65/51/97/629655197.db2.gz QHKSRXFLFPYCPP-CHWSQXEVSA-N 0 1 280.416 2.688 20 30 CFEDMN COCCCNN=Cc1c(Cl)cccc1N1CCCC1 ZINC000794544457 629658689 /nfs/dbraw/zinc/65/86/89/629658689.db2.gz VJYVXDCXRQHSEJ-UHFFFAOYSA-N 0 1 295.814 2.900 20 30 CFEDMN Cn1cc(NN=C2c3ccccc3CC23CCOCC3)cn1 ZINC000794939976 629707668 /nfs/dbraw/zinc/70/76/68/629707668.db2.gz NZWZUPZHAJEIOB-UHFFFAOYSA-N 0 1 296.374 2.589 20 30 CFEDMN CC(N=Nc1cncnc1)c1ccc(C#N)cc1Cl ZINC000794970903 629713084 /nfs/dbraw/zinc/71/30/84/629713084.db2.gz FFVZZAORUSFOQB-UHFFFAOYSA-N 0 1 271.711 2.838 20 30 CFEDMN COCCN(C)N=C(C)c1[nH]c(-c2ccccc2)nc1C ZINC000794973884 629713850 /nfs/dbraw/zinc/71/38/50/629713850.db2.gz KMUZSVDNTFQKDL-UHFFFAOYSA-N 0 1 286.379 2.687 20 30 CFEDMN CCc1nn(C)c(Cl)c1CN=Nc1cccc(F)n1 ZINC000795006840 629722413 /nfs/dbraw/zinc/72/24/13/629722413.db2.gz MONKIOZIZOSOTN-UHFFFAOYSA-N 0 1 281.722 2.616 20 30 CFEDMN CCc1nn(C)c(CC)c1C=NNc1cccc(F)n1 ZINC000795006363 629722950 /nfs/dbraw/zinc/72/29/50/629722950.db2.gz GNHGJGRPNHGEOA-UHFFFAOYSA-N 0 1 275.331 2.525 20 30 CFEDMN Fc1cccc(NN=Cc2c(Cl)nc3ccccn32)n1 ZINC000795007992 629723668 /nfs/dbraw/zinc/72/36/68/629723668.db2.gz BJZMSYBOOWHLEQ-UHFFFAOYSA-N 0 1 289.701 2.968 20 30 CFEDMN C[C@@H]1C[C@H](c2ccccc2)N(Cn2cccc(C#N)c2=O)C1 ZINC000795743999 629829078 /nfs/dbraw/zinc/82/90/78/629829078.db2.gz KUCOGLZKQKIILO-RHSMWYFYSA-N 0 1 293.370 2.761 20 30 CFEDMN C#C[C@H](NCc1ccc2occc2c1)[C@@H]1CCCO1 ZINC000796350420 629907493 /nfs/dbraw/zinc/90/74/93/629907493.db2.gz BYTUMXDOWMUQPM-HOCLYGCPSA-N 0 1 255.317 2.703 20 30 CFEDMN CC(C)(CC(=O)[C@H](C#N)C(=O)NC1CC1)C1CCCCC1 ZINC000796637112 629943429 /nfs/dbraw/zinc/94/34/29/629943429.db2.gz STMPLDKKQRFVLN-AWEZNQCLSA-N 0 1 290.407 2.970 20 30 CFEDMN CCC(=O)C(C#N)C(=O)Nc1cc(C)c(Cl)cc1OC ZINC000796634316 629943478 /nfs/dbraw/zinc/94/34/78/629943478.db2.gz SBSUUACPSWHGFP-SECBINFHSA-N 0 1 294.738 2.714 20 30 CFEDMN N#CC(C(=O)[C@@H](F)CC1CCCCC1)C(=O)N1CCCC1 ZINC000796634286 629943580 /nfs/dbraw/zinc/94/35/80/629943580.db2.gz YDBCWRLCQAASEP-KBPBESRZSA-N 0 1 294.370 2.626 20 30 CFEDMN Cc1cccc2nc([C@H](C#N)C(=O)C[C@H]3CCCOC3)[nH]c21 ZINC000796719945 629954875 /nfs/dbraw/zinc/95/48/75/629954875.db2.gz RIPNCTJCFAAPHS-CHWSQXEVSA-N 0 1 297.358 2.864 20 30 CFEDMN CCc1ccc(NC(=O)[C@@H](C#N)C(=O)c2cncs2)cc1 ZINC000796747922 629959430 /nfs/dbraw/zinc/95/94/30/629959430.db2.gz RNMFBFKBEXFWJG-LBPRGKRZSA-N 0 1 299.355 2.667 20 30 CFEDMN CCc1ccc(NC(=O)C(C#N)C(=O)c2cncs2)cc1 ZINC000796747922 629959434 /nfs/dbraw/zinc/95/94/34/629959434.db2.gz RNMFBFKBEXFWJG-LBPRGKRZSA-N 0 1 299.355 2.667 20 30 CFEDMN CC[C@@H](C)CCC(=O)C(C#N)C(=O)Nc1ccccn1 ZINC000796816845 629971836 /nfs/dbraw/zinc/97/18/36/629971836.db2.gz LAPONSPJWZIVCM-NEPJUHHUSA-N 0 1 273.336 2.555 20 30 CFEDMN CC[C@](C)(C#N)C(=O)O[C@H]1CCN(Cc2ccccc2)C1 ZINC000797037627 630006548 /nfs/dbraw/zinc/00/65/48/630006548.db2.gz FYCCZPDRHJKHCG-DOTOQJQBSA-N 0 1 286.375 2.744 20 30 CFEDMN N#CC(C(=O)Cc1ccc(F)cn1)c1nc2ccccc2[nH]1 ZINC000798207871 630165841 /nfs/dbraw/zinc/16/58/41/630165841.db2.gz HCAKGMZRJXKQTF-LBPRGKRZSA-N 0 1 294.289 2.516 20 30 CFEDMN Cc1cc(C(=O)/C=C/c2cc(F)c(O)c(F)c2)no1 ZINC000798230447 630169037 /nfs/dbraw/zinc/16/90/37/630169037.db2.gz NLRHZIJOXHOLGD-NSCUHMNNSA-N 0 1 265.215 2.863 20 30 CFEDMN N#C[C@@H](C(=O)CC1CC(c2ccccc2)C1)C(=O)NC1CC1 ZINC000798816198 630241591 /nfs/dbraw/zinc/24/15/91/630241591.db2.gz IRSXNXOABDYFOO-PXCJXSSVSA-N 0 1 296.370 2.558 20 30 CFEDMN CC(C)[C@@H](C(=O)OCc1ccc(C#N)cc1Cl)N(C)C ZINC000798858764 630247711 /nfs/dbraw/zinc/24/77/11/630247711.db2.gz RQTCAZRINGMLJE-AWEZNQCLSA-N 0 1 294.782 2.841 20 30 CFEDMN C=CCC[NH+]1CCN(Cc2ccc([O-])c(Cl)c2)CC1 ZINC000798957891 630263740 /nfs/dbraw/zinc/26/37/40/630263740.db2.gz JBKLPUMMJJLIPI-UHFFFAOYSA-N 0 1 280.799 2.739 20 30 CFEDMN COc1ccc(N=NCc2cn(C(C)C)nc2C)nc1 ZINC000799112945 630276331 /nfs/dbraw/zinc/27/63/31/630276331.db2.gz BOXJFEDWQOEXJH-UHFFFAOYSA-N 0 1 273.340 2.622 20 30 CFEDMN C#CCCN[C@H](CO)c1cccc(Cl)c1Cl ZINC000852678367 634805252 /nfs/dbraw/zinc/80/52/52/634805252.db2.gz CEWSBHHJJPLFBF-LLVKDONJSA-N 0 1 258.148 2.640 20 30 CFEDMN C[C@H]1CC(=NC(=O)c2ccc(Oc3ccccc3)cn2)NO1 ZINC000799714504 630337965 /nfs/dbraw/zinc/33/79/65/630337965.db2.gz WBFRTFVFWWPSKG-NSHDSACASA-N 0 1 297.314 2.726 20 30 CFEDMN C=C1C[C@H]2CC[C@@H](C1)N2CC(=O)Nc1ccc(Cl)nc1 ZINC000852687698 634807224 /nfs/dbraw/zinc/80/72/24/634807224.db2.gz NEUYITXNRSBEPR-BETUJISGSA-N 0 1 291.782 2.857 20 30 CFEDMN C[C@@H]1CC[C@H](C=Nn2c(=O)c3ccccc3[nH]c2=S)C1 ZINC000800809301 630406380 /nfs/dbraw/zinc/40/63/80/630406380.db2.gz IPRDEAGSBLAZPM-MNOVXSKESA-N 0 1 287.388 2.955 20 30 CFEDMN COC(=O)c1c(F)cccc1N=NCc1ccc(C#N)cc1 ZINC000800818197 630408275 /nfs/dbraw/zinc/40/82/75/630408275.db2.gz MEZIKDFTEMMGNZ-UHFFFAOYSA-N 0 1 297.289 2.930 20 30 CFEDMN CCCCCCCCCN1C[C@@H]2COC[C@H](C1)O2 ZINC000801589560 630460598 /nfs/dbraw/zinc/46/05/98/630460598.db2.gz RZJXLDRFJAXPAP-GASCZTMLSA-N 0 1 255.402 2.837 20 30 CFEDMN C[C@@H](C#N)OCCN1CC[C@@H](c2c(F)cccc2F)C1 ZINC000801942021 630492919 /nfs/dbraw/zinc/49/29/19/630492919.db2.gz GBYHZPSIDRPHRI-NWDGAFQWSA-N 0 1 280.318 2.683 20 30 CFEDMN Cc1ccc([C@@H](NCCO[C@@H](C)C#N)c2ccccn2)cc1 ZINC000801951110 630494528 /nfs/dbraw/zinc/49/45/28/630494528.db2.gz AMCFIURAAGYXQL-MAUKXSAKSA-N 0 1 295.386 2.998 20 30 CFEDMN C#CCN(CC#CC)Cc1ccc(C)cc1-c1ccnn1C ZINC000802640567 630533764 /nfs/dbraw/zinc/53/37/64/630533764.db2.gz NEELJSPEEFMJHB-UHFFFAOYSA-N 0 1 291.398 2.854 20 30 CFEDMN C#CCn1ccc(CN(CCOC)C[C@@H](C)C(C)(C)C)n1 ZINC000802650797 630535284 /nfs/dbraw/zinc/53/52/84/630535284.db2.gz AMEMBMVTBAIJAR-OAHLLOKOSA-N 0 1 291.439 2.647 20 30 CFEDMN C#CCOc1ccc(CN2CC[C@H](OC(F)F)C2)cc1 ZINC000802658458 630536822 /nfs/dbraw/zinc/53/68/22/630536822.db2.gz BZPNCIQLBYKIIR-AWEZNQCLSA-N 0 1 281.302 2.512 20 30 CFEDMN N#Cc1ccc(O)c(NC(=O)c2occ3c2CCC3)c1 ZINC000802891032 630560739 /nfs/dbraw/zinc/56/07/39/630560739.db2.gz MZECUIUMDXLUJS-UHFFFAOYSA-N 0 1 268.272 2.598 20 30 CFEDMN C[C@H](C[C@@H](O)c1cccs1)NC[C@@H](C#N)CCC#N ZINC000843107459 630665334 /nfs/dbraw/zinc/66/53/34/630665334.db2.gz OHIIAGOIWWACDW-JHJVBQTASA-N 0 1 277.393 2.593 20 30 CFEDMN Cc1cc(C#N)cc(NCc2n[nH]c(-c3ccccc3)n2)n1 ZINC000804402481 630679638 /nfs/dbraw/zinc/67/96/38/630679638.db2.gz HMMIUPUGZGTMCQ-UHFFFAOYSA-N 0 1 290.330 2.659 20 30 CFEDMN Cc1cc(C#N)cc(NCc2nc(-c3ccccc3)n[nH]2)n1 ZINC000804402481 630679641 /nfs/dbraw/zinc/67/96/41/630679641.db2.gz HMMIUPUGZGTMCQ-UHFFFAOYSA-N 0 1 290.330 2.659 20 30 CFEDMN CCN1C[C@H](C)N(c2nc(Cl)c(C#N)s2)C[C@H]1C ZINC000804586577 630760800 /nfs/dbraw/zinc/76/08/00/630760800.db2.gz IRWHCZAICZYZEZ-BDAKNGLRSA-N 0 1 284.816 2.587 20 30 CFEDMN Cc1ccc(-c2cc(NC(=O)C#CC(C)(C)C)[nH]n2)o1 ZINC000855105054 635457751 /nfs/dbraw/zinc/45/77/51/635457751.db2.gz HQKMGFASWCQDOK-UHFFFAOYSA-N 0 1 271.320 2.966 20 30 CFEDMN CCCCCCCCC(=O)N1C[C@@H](C)N(CCO)[C@@H](C)C1 ZINC000836865527 630903018 /nfs/dbraw/zinc/90/30/18/630903018.db2.gz LHLNZPWUAOUNJZ-IYBDPMFKSA-N 0 1 298.471 2.651 20 30 CFEDMN COc1ccc(NN=Cc2ccc(C(F)(F)F)[nH]2)nc1 ZINC000807983441 630930475 /nfs/dbraw/zinc/93/04/75/630930475.db2.gz MGEAMVKWZVCNOO-UHFFFAOYSA-N 0 1 284.241 2.883 20 30 CFEDMN CC(=[NH+][N-]c1ncn[nH]1)c1ccc(N2CCCCC2)cc1 ZINC000807996806 630934940 /nfs/dbraw/zinc/93/49/40/630934940.db2.gz JHIRTEHKLVZSMB-UHFFFAOYSA-N 0 1 284.367 2.631 20 30 CFEDMN C=CCONC(=O)[C@@H](C)c1ccc(Br)s1 ZINC000837048841 630946098 /nfs/dbraw/zinc/94/60/98/630946098.db2.gz YQCSKXJJMSHKDP-ZETCQYMHSA-N 0 1 290.182 2.848 20 30 CFEDMN C=C(C)[C@@H](NCCC(=O)N(C)OC)c1ccc(F)c(F)c1 ZINC000808747440 631043253 /nfs/dbraw/zinc/04/32/53/631043253.db2.gz MLVFVSMVZMTEFM-OAHLLOKOSA-N 0 1 298.333 2.582 20 30 CFEDMN C#CC[C@H](NCc1cc(C(=O)OC)n(C)c1)c1ccccc1 ZINC000809425777 631225258 /nfs/dbraw/zinc/22/52/58/631225258.db2.gz UKZWWTROXFNPNS-INIZCTEOSA-N 0 1 296.370 2.666 20 30 CFEDMN N#CC[C@@H](O)CN1CCC[C@@H]1c1ccccc1Cl ZINC000809573199 631237584 /nfs/dbraw/zinc/23/75/84/631237584.db2.gz ZHNOSLXMXBUFAQ-BXUZGUMPSA-N 0 1 264.756 2.751 20 30 CFEDMN C#Cc1ccc(CNCc2cccc(OC)c2OC)cc1 ZINC000809607687 631246083 /nfs/dbraw/zinc/24/60/83/631246083.db2.gz FPMMSCQCZYLHFT-UHFFFAOYSA-N 0 1 281.355 2.975 20 30 CFEDMN C#Cc1ccc(CN[C@H]2CCN(C3CCCCC3)C2=O)cc1 ZINC000809627816 631250569 /nfs/dbraw/zinc/25/05/69/631250569.db2.gz HJGQELCCNHXXKG-SFHVURJKSA-N 0 1 296.414 2.691 20 30 CFEDMN C#C[C@@H](C)NCc1ccc(N2CCCCC2)c([N+](=O)[O-])c1 ZINC000809683372 631260764 /nfs/dbraw/zinc/26/07/64/631260764.db2.gz BJNAAJUJVJADKZ-CYBMUJFWSA-N 0 1 287.363 2.696 20 30 CFEDMN C#C[C@@H](C)NCc1cnn(-c2ccc(Cl)cc2)c1 ZINC000809683837 631260937 /nfs/dbraw/zinc/26/09/37/631260937.db2.gz RFCGWTMFURAZRL-LLVKDONJSA-N 0 1 259.740 2.637 20 30 CFEDMN C#CC[C@@H](OC(=O)[C@@]1(F)CCN(C(C)(C)C)C1)C1CC1 ZINC000810609639 631402003 /nfs/dbraw/zinc/40/20/03/631402003.db2.gz NHRILHBABWUNOA-CZUORRHYSA-N 0 1 281.371 2.544 20 30 CFEDMN CCCCCCCCC(=O)N1C[C@@H](C)N(CCO)C[C@@H]1C ZINC000841455933 631408898 /nfs/dbraw/zinc/40/88/98/631408898.db2.gz XZWBZRXLUBOFTQ-CVEARBPZSA-N 0 1 298.471 2.651 20 30 CFEDMN C=C(C)[C@H](C)OC(=O)[C@@]1(F)CCN(C(C)(C)C)C1 ZINC000810671511 631423491 /nfs/dbraw/zinc/42/34/91/631423491.db2.gz HJUNUOJVYHVSMU-SMDDNHRTSA-N 0 1 257.349 2.707 20 30 CFEDMN C=C(C)[C@H](C)OC(=O)[C@]1(F)CCN(C(C)(C)C)C1 ZINC000810671507 631423771 /nfs/dbraw/zinc/42/37/71/631423771.db2.gz HJUNUOJVYHVSMU-FZMZJTMJSA-N 0 1 257.349 2.707 20 30 CFEDMN N#C[C@H](C(=O)Cc1ccc(Cl)c(F)c1)c1ccncn1 ZINC000810674083 631424610 /nfs/dbraw/zinc/42/46/10/631424610.db2.gz WYGGBYOTIJUEKQ-JTQLQIEISA-N 0 1 289.697 2.688 20 30 CFEDMN Cc1ccccc1NC(=O)C[C@H](C)NCC1(C#N)CCC1 ZINC000841898902 631491279 /nfs/dbraw/zinc/49/12/79/631491279.db2.gz QDQZWVCGNFMGAH-AWEZNQCLSA-N 0 1 285.391 2.996 20 30 CFEDMN C#Cc1ccccc1CC(=O)Nc1nc2ccc(F)cc2[nH]1 ZINC000811466348 631566408 /nfs/dbraw/zinc/56/64/08/631566408.db2.gz VOCRNVRGOHSMMV-UHFFFAOYSA-N 0 1 293.301 2.865 20 30 CFEDMN C#C[C@@H](CC)NCc1cc(O)cc(C(F)(F)F)c1 ZINC000811506068 631573602 /nfs/dbraw/zinc/57/36/02/631573602.db2.gz WOAWXSVOEMHOOW-NSHDSACASA-N 0 1 257.255 2.912 20 30 CFEDMN C[C@@H]1C(N=Nc2ncccn2)CCN1Cc1ccccc1 ZINC000811638483 631589510 /nfs/dbraw/zinc/58/95/10/631589510.db2.gz PMNPTTMZISNZCX-CYBMUJFWSA-N 0 1 281.363 2.539 20 30 CFEDMN C[C@H]1C(N=Nc2cncnc2)CCN1Cc1ccccc1 ZINC000811647820 631592561 /nfs/dbraw/zinc/59/25/61/631592561.db2.gz CHGQPLAQPWCWIT-ZDUSSCGKSA-N 0 1 281.363 2.539 20 30 CFEDMN FC1(F)CCC(=NNCCN2CCCCC2)CC1 ZINC000842524825 631652668 /nfs/dbraw/zinc/65/26/68/631652668.db2.gz WOEMEEQVPPUXDD-UHFFFAOYSA-N 0 1 259.344 2.627 20 30 CFEDMN CC(=N[N-]c1[nH+]cccc1C)c1cc2n(n1)CCCC2 ZINC000842531669 631654495 /nfs/dbraw/zinc/65/44/95/631654495.db2.gz PDARIYJKMDOVIO-UHFFFAOYSA-N 0 1 269.352 2.759 20 30 CFEDMN C1C2CC1(NN=C1CCCC[C@H]1N1CCCCC1)C2 ZINC000842546708 631662167 /nfs/dbraw/zinc/66/21/67/631662167.db2.gz WCXXVFWQWPDDMF-OGVSOVDVSA-N 0 1 261.413 2.913 20 30 CFEDMN C#Cc1ccccc1Cc1nc([C@H](N)CC(C)C)no1 ZINC000842586229 631673067 /nfs/dbraw/zinc/67/30/67/631673067.db2.gz KOOOVMAPORUCHE-CQSZACIVSA-N 0 1 269.348 2.688 20 30 CFEDMN C#CCON=C1CN(Cc2ccccc2)C(C)(C)C1 ZINC000812236728 631674702 /nfs/dbraw/zinc/67/47/02/631674702.db2.gz WLZYCRPECZRPKW-UHFFFAOYSA-N 0 1 256.349 2.677 20 30 CFEDMN Cn1cc(/C=C\C(=O)c2ccc(O)cc2O)c(C(F)F)n1 ZINC000812243911 631679423 /nfs/dbraw/zinc/67/94/23/631679423.db2.gz VLYXQUKUPCXECI-DJWKRKHSSA-N 0 1 294.257 2.665 20 30 CFEDMN C#CC[C@@H]1CCCN(Cn2c3cc(C)ccc3oc2=O)C1 ZINC000842628832 631685811 /nfs/dbraw/zinc/68/58/11/631685811.db2.gz HGIJIAFPOZXUBW-CQSZACIVSA-N 0 1 284.359 2.596 20 30 CFEDMN C#CC[C@@H]1CCCN(CN2C(=O)C[C@@H]2c2ccccc2)C1 ZINC000842628765 631685999 /nfs/dbraw/zinc/68/59/99/631685999.db2.gz FRFVLYHMANTQCZ-NVXWUHKLSA-N 0 1 282.387 2.653 20 30 CFEDMN C=CCNC(=O)C(C#N)C(=O)C[C@H](C)CCC=C(C)C ZINC000842687510 631707272 /nfs/dbraw/zinc/70/72/72/631707272.db2.gz XNNXFVQOWUEDNA-KGLIPLIRSA-N 0 1 276.380 2.770 20 30 CFEDMN N#CC(C(=O)C1CC2(CCC2)C1)c1nnc2n1CCCCC2 ZINC000842690888 631708274 /nfs/dbraw/zinc/70/82/74/631708274.db2.gz FKUYWBPOEGRTRO-ZDUSSCGKSA-N 0 1 298.390 2.761 20 30 CFEDMN C=CCCCCCCCNC(=O)N[C@@H](C)c1n[nH]c(C)n1 ZINC000812495240 631727098 /nfs/dbraw/zinc/72/70/98/631727098.db2.gz LYJKFGCWXOHPGH-LBPRGKRZSA-N 0 1 293.415 3.000 20 30 CFEDMN C#C[C@H](N[C@@H]1CCCc2c(O)cccc21)[C@H]1CCCO1 ZINC000812731462 631764293 /nfs/dbraw/zinc/76/42/93/631764293.db2.gz LREUFRQYZTVUFA-ZMSDIMECSA-N 0 1 271.360 2.540 20 30 CFEDMN C#CCONC(=O)[C@@H](C)c1ccc2ccccc2c1 ZINC000812784674 631774353 /nfs/dbraw/zinc/77/43/53/631774353.db2.gz BRHLADGHDRZUHS-LBPRGKRZSA-N 0 1 253.301 2.624 20 30 CFEDMN CCCCCNC(=O)C(C#N)C(=O)CCCC1CC1 ZINC000813059188 631822163 /nfs/dbraw/zinc/82/21/63/631822163.db2.gz WDBPGVLLIRDPTI-CYBMUJFWSA-N 0 1 264.369 2.582 20 30 CFEDMN C#CCN(CC(=O)N(C)Cc1ccccc1C)C1CCCC1 ZINC000155893462 650035972 /nfs/dbraw/zinc/03/59/72/650035972.db2.gz UAKPVHBQRYADLE-UHFFFAOYSA-N 0 1 298.430 2.831 20 30 CFEDMN N#Cc1ccc(O)c(NC(=O)[C@@H]2CCCCCC(=O)C2)c1 ZINC000813501221 631927073 /nfs/dbraw/zinc/92/70/73/631927073.db2.gz UAHVMIDCZOVAKF-GFCCVEGCSA-N 0 1 286.331 2.742 20 30 CFEDMN CC1(C)Oc2ccsc2[C@H](N[C@@H]2CC[C@@H](C#N)C2)[C@H]1O ZINC000813875369 631970896 /nfs/dbraw/zinc/97/08/96/631970896.db2.gz KIBFBTMBMOLKGL-KOXOONSLSA-N 0 1 292.404 2.603 20 30 CFEDMN Cn1cc(C=[NH+][N-]c2c(Cl)cccc2Cl)c(=O)[nH]1 ZINC000814223763 632040530 /nfs/dbraw/zinc/04/05/30/632040530.db2.gz OWXMWXOYLPGEQQ-UHFFFAOYSA-N 0 1 285.134 2.879 20 30 CFEDMN C#CC[C@H]1CCCN(C(=O)c2c(C)n[nH]c2C(F)(F)F)C1 ZINC000843999518 632092218 /nfs/dbraw/zinc/09/22/18/632092218.db2.gz PRZXENFWVCQPCQ-JTQLQIEISA-N 0 1 299.296 2.612 20 30 CFEDMN Clc1ccc(CN=Nc2ccccn2)c(-n2cncn2)c1 ZINC000814731574 632115236 /nfs/dbraw/zinc/11/52/36/632115236.db2.gz DINFNFOBJDOEHK-UHFFFAOYSA-N 0 1 298.737 2.762 20 30 CFEDMN Clc1ccc2c(c1)C(=N[N-]c1cccc[nH+]1)CO2 ZINC000814732055 632115404 /nfs/dbraw/zinc/11/54/04/632115404.db2.gz VPTSZVPJUZJUQW-UHFFFAOYSA-N 0 1 259.696 2.944 20 30 CFEDMN OC[C@H](CCF)/N=C/c1cc(Cl)cc(Cl)c1O ZINC000844271079 632151112 /nfs/dbraw/zinc/15/11/12/632151112.db2.gz LUZXIJKVHZIZCA-XDDINVHESA-N 0 1 280.126 2.838 20 30 CFEDMN Oc1cc(F)c(Cl)cc1C=NOC1CCOCC1 ZINC000814906258 632158214 /nfs/dbraw/zinc/15/82/14/632158214.db2.gz MJUIIGHBRQCGGL-UHFFFAOYSA-N 0 1 273.691 2.714 20 30 CFEDMN Cc1cccnc1NN=C1COc2cc(F)cc(F)c21 ZINC000814911684 632161846 /nfs/dbraw/zinc/16/18/46/632161846.db2.gz QWINIPYUJFUFKE-UHFFFAOYSA-N 0 1 275.258 2.877 20 30 CFEDMN COC(=O)c1c(F)cccc1N=NCc1nccs1 ZINC000814923679 632166962 /nfs/dbraw/zinc/16/69/62/632166962.db2.gz WXCQYCSLBGLGOQ-UHFFFAOYSA-N 0 1 279.296 2.515 20 30 CFEDMN c1cc2c3c(c1)C(=NNCCc1ccncc1)CC[C@H]3CN2 ZINC000814925097 632167071 /nfs/dbraw/zinc/16/70/71/632167071.db2.gz QAYGALZDBULJAO-AWEZNQCLSA-N 0 1 292.386 2.921 20 30 CFEDMN COCC(N=Nc1cncnc1)c1ccc(Cl)cc1 ZINC000814926842 632167897 /nfs/dbraw/zinc/16/78/97/632167897.db2.gz MJENADAHGDPLRP-UHFFFAOYSA-N 0 1 276.727 2.593 20 30 CFEDMN CCCCCCNC(=O)C(C#N)C(=O)[C@H](CC)SC ZINC000156440744 650053287 /nfs/dbraw/zinc/05/32/87/650053287.db2.gz WVCKGIILQFFNBG-RYUDHWBXSA-N 0 1 284.425 2.533 20 30 CFEDMN Clc1cccc2c1OCCC2N=Nc1cncnc1 ZINC000814927107 632168581 /nfs/dbraw/zinc/16/85/81/632168581.db2.gz XGYVKSDOWUZVNU-UHFFFAOYSA-N 0 1 274.711 2.729 20 30 CFEDMN CC(=NNC[C@H]1CCSC1)c1ccc(Cl)c(N)c1 ZINC000814935727 632173226 /nfs/dbraw/zinc/17/32/26/632173226.db2.gz QQBNJJWGXNUVIK-SNVBAGLBSA-N 0 1 283.828 2.989 20 30 CFEDMN CC(=NNc1ccc(F)c(F)c1F)c1cc[nH]n1 ZINC000814945608 632176942 /nfs/dbraw/zinc/17/69/42/632176942.db2.gz HIAJIUNRKJSAJC-UHFFFAOYSA-N 0 1 254.215 2.663 20 30 CFEDMN CC(C)[C@@H]1CC(=NNc2cnnn2C)c2ccccc21 ZINC000814982939 632185413 /nfs/dbraw/zinc/18/54/13/632185413.db2.gz VOUNSKCSXOOIHR-ZDUSSCGKSA-N 0 1 269.352 2.775 20 30 CFEDMN CC(=NNc1cnnn1C)c1ccccc1OC(F)(F)F ZINC000814983119 632185466 /nfs/dbraw/zinc/18/54/66/632185466.db2.gz DHFMUGIEOJTRQP-UHFFFAOYSA-N 0 1 299.256 2.550 20 30 CFEDMN CC(=NNc1cnnn1C)c1ccc(C(F)(F)F)cc1 ZINC000814984021 632185513 /nfs/dbraw/zinc/18/55/13/632185513.db2.gz SKWKZPJXGSPADI-UHFFFAOYSA-N 0 1 283.257 2.670 20 30 CFEDMN N#CCCOCCN1CC=C(c2ccc(Cl)nc2)CC1 ZINC000815080324 632197022 /nfs/dbraw/zinc/19/70/22/632197022.db2.gz PDOVELNCIWELSC-UHFFFAOYSA-N 0 1 291.782 2.754 20 30 CFEDMN CC#CCN(C)Cc1cc(=O)oc2cc3c(cc12)CCC3 ZINC000815280821 632243583 /nfs/dbraw/zinc/24/35/83/632243583.db2.gz FHOWHQPKCQVTGS-UHFFFAOYSA-N 0 1 281.355 2.737 20 30 CFEDMN C=C[C@H](C)ON=Cc1ccc(N2CCOCC2)c(F)c1 ZINC000844626147 632268453 /nfs/dbraw/zinc/26/84/53/632268453.db2.gz YVHAFCNSQVGNDZ-LBPRGKRZSA-N 0 1 278.327 2.587 20 30 CFEDMN C=C[C@H](C)ON=Cc1ccccc1N1CCO[C@@H](C)C1 ZINC000844625552 632268573 /nfs/dbraw/zinc/26/85/73/632268573.db2.gz RZPSFAFRPPYLGD-KBPBESRZSA-N 0 1 274.364 2.837 20 30 CFEDMN CC[C@H](C#N)OC(=O)[C@@H]1CCCCN1C1CCCC1 ZINC000815448063 632275819 /nfs/dbraw/zinc/27/58/19/632275819.db2.gz FGEGGHOUJYTUOI-KGLIPLIRSA-N 0 1 264.369 2.629 20 30 CFEDMN CCCCCCCN[C@@H](c1nnc[nH]1)c1cccnc1 ZINC000815601043 632296551 /nfs/dbraw/zinc/29/65/51/632296551.db2.gz LZBCVNCXXRRYDC-CQSZACIVSA-N 0 1 273.384 2.849 20 30 CFEDMN N#CC(C(=O)NC1CCCC1)C(=O)[C@H]1C[C@@H]1C1CCCC1 ZINC000845452767 632438178 /nfs/dbraw/zinc/43/81/78/632438178.db2.gz ZFKBWWXSVYLEBG-ILXRZTDVSA-N 0 1 288.391 2.580 20 30 CFEDMN C[C@H]1CC[C@H](C(=O)C(C#N)C(=O)NC2CCCC2)CC1 ZINC000845451902 632438257 /nfs/dbraw/zinc/43/82/57/632438257.db2.gz QGUYPVLBZPQOEF-OBJOEFQTSA-N 0 1 276.380 2.580 20 30 CFEDMN N#CC(C(=O)C1CC=CC1)=C(O)C1(c2ccccc2)CC1 ZINC000845842113 632578572 /nfs/dbraw/zinc/57/85/72/632578572.db2.gz RHEJZCZVSWRZML-HNNXBMFYSA-N 0 1 279.339 2.962 20 30 CFEDMN CCC[C@H](OC)C(O)=C(C#N)C(=O)C1(c2ccccc2)CC1 ZINC000845845861 632579571 /nfs/dbraw/zinc/57/95/71/632579571.db2.gz ZUKKJEFNJGCDFJ-GJZGRUSLSA-N 0 1 299.370 2.811 20 30 CFEDMN C=C(C)CC[C@@H](C)OC(=O)CCCCc1cn[nH]n1 ZINC000845868960 632587525 /nfs/dbraw/zinc/58/75/25/632587525.db2.gz VJCQWVGZYUGVBA-GFCCVEGCSA-N 0 1 265.357 2.806 20 30 CFEDMN C#CCCOc1ccc(CN2C[C@H]3[C@@H](C2)C3(F)F)cc1 ZINC000846111652 632634861 /nfs/dbraw/zinc/63/48/61/632634861.db2.gz MVVUIHFQLUYZAO-GASCZTMLSA-N 0 1 277.314 2.786 20 30 CFEDMN C=C(C)CO[N-]C(=O)C[N@@H+](CC)Cc1ccccc1Cl ZINC000846533982 632723919 /nfs/dbraw/zinc/72/39/19/632723919.db2.gz QQQQBQLPCMDKPN-UHFFFAOYSA-N 0 1 296.798 2.786 20 30 CFEDMN C=C(C)CO[N-]C(=O)C[N@H+](CC)Cc1ccccc1Cl ZINC000846533982 632723924 /nfs/dbraw/zinc/72/39/24/632723924.db2.gz QQQQBQLPCMDKPN-UHFFFAOYSA-N 0 1 296.798 2.786 20 30 CFEDMN C=C[C@H](C)ONC(=O)[C@H]1CCSc2ccccc21 ZINC000846545851 632734145 /nfs/dbraw/zinc/73/41/45/632734145.db2.gz JAOGYYAFKROVNM-JQWIXIFHSA-N 0 1 263.362 2.888 20 30 CFEDMN C=C[C@H](C)ONC(=O)[C@H](C)c1c(F)cccc1F ZINC000846546944 632734915 /nfs/dbraw/zinc/73/49/15/632734915.db2.gz HEBUHFIFDRQALN-DTWKUNHWSA-N 0 1 255.264 2.691 20 30 CFEDMN C=C[C@H](C)ONC(=O)[C@@H](C)c1cn(C)c2ccccc12 ZINC000846547024 632735025 /nfs/dbraw/zinc/73/50/25/632735025.db2.gz AOXBKSQLICXGFG-RYUDHWBXSA-N 0 1 272.348 2.904 20 30 CFEDMN C=C[C@@H](C)ONC(=O)[C@H](C)c1c(F)cccc1F ZINC000846546947 632735150 /nfs/dbraw/zinc/73/51/50/632735150.db2.gz HEBUHFIFDRQALN-RKDXNWHRSA-N 0 1 255.264 2.691 20 30 CFEDMN CN(Cc1cccc(C#N)c1)CC1(Br)CC1 ZINC000846765701 632790491 /nfs/dbraw/zinc/79/04/91/632790491.db2.gz VLAZAKZRKDOSPF-UHFFFAOYSA-N 0 1 279.181 2.918 20 30 CFEDMN C=CCn1cc(CN[C@@H](C)c2c(C)cc(C)cc2O)nn1 ZINC000818347552 632836547 /nfs/dbraw/zinc/83/65/47/632836547.db2.gz RVTGNUIJTKKGOT-ZDUSSCGKSA-N 0 1 286.379 2.637 20 30 CFEDMN C#C[C@H]1CCCN([C@@H](C)C(=O)Nc2cc(C)ccc2C)C1 ZINC000847022009 632886414 /nfs/dbraw/zinc/88/64/14/632886414.db2.gz DUPSRMVKWRWLEC-HOTGVXAUSA-N 0 1 284.403 2.976 20 30 CFEDMN C#C[C@H]1CCCN(CC(=O)N(Cc2ccccc2)C2CC2)C1 ZINC000847025734 632891190 /nfs/dbraw/zinc/89/11/90/632891190.db2.gz WMQJNYXXCUGOQX-INIZCTEOSA-N 0 1 296.414 2.523 20 30 CFEDMN C#C[C@H]1CCCN(CC(=O)N(C)[C@H](C)c2ccccc2)C1 ZINC000847029219 632894050 /nfs/dbraw/zinc/89/40/50/632894050.db2.gz MAFRWDFLDXZPBL-CVEARBPZSA-N 0 1 284.403 2.551 20 30 CFEDMN C#C[C@@H]1CCCN(CC(=O)N(C)[C@@H](C)c2ccccc2)C1 ZINC000847029226 632894111 /nfs/dbraw/zinc/89/41/11/632894111.db2.gz MAFRWDFLDXZPBL-JKSUJKDBSA-N 0 1 284.403 2.551 20 30 CFEDMN C#C[C@H]1CCCN([C@H](C)C(=O)Nc2ccccc2C)C1 ZINC000847031068 632895546 /nfs/dbraw/zinc/89/55/46/632895546.db2.gz SHEPUAGDDJLRBV-CABCVRRESA-N 0 1 270.376 2.667 20 30 CFEDMN C#CCCCNC(=O)c1cccc(C(F)(F)F)c1O ZINC000847532799 632998246 /nfs/dbraw/zinc/99/82/46/632998246.db2.gz SHODVLMUMJLUMA-UHFFFAOYSA-N 0 1 271.238 2.554 20 30 CFEDMN CCC(CC)Nc1cc[nH+]cc1[N-]C(=O)c1ccc(C#N)o1 ZINC000848108163 633204417 /nfs/dbraw/zinc/20/44/17/633204417.db2.gz FICHZNVXECKTMK-UHFFFAOYSA-N 0 1 298.346 2.821 20 30 CFEDMN CCCCCCCC(=O)NCc1n[nH]c([C@@H]2CCCO2)n1 ZINC000848275193 633228358 /nfs/dbraw/zinc/22/83/58/633228358.db2.gz JPLCTHGGBFPVPK-LBPRGKRZSA-N 0 1 294.399 2.633 20 30 CFEDMN CC1(C)C[C@H](NN=C2CCCN3CCCC[C@@H]23)CCO1 ZINC000848408963 633251403 /nfs/dbraw/zinc/25/14/03/633251403.db2.gz HSKVHPBISPSVRR-HIFRSBDPSA-N 0 1 279.428 2.538 20 30 CFEDMN FC(F)(F)CCNN=C1CCCN2CCCC[C@H]12 ZINC000848409956 633251818 /nfs/dbraw/zinc/25/18/18/633251818.db2.gz GFFFDSBHEKJTSF-LLVKDONJSA-N 0 1 263.307 2.533 20 30 CFEDMN C[C@@H](NN=C1CCCN2CCCC[C@@H]12)C(F)(F)F ZINC000848412622 633252841 /nfs/dbraw/zinc/25/28/41/633252841.db2.gz WNEUEIMSOJSVLE-KOLCDFICSA-N 0 1 263.307 2.531 20 30 CFEDMN Cn1c(Cl)ncc1CN[C@@H]1CCc2cc(C#N)ccc21 ZINC000848550332 633286870 /nfs/dbraw/zinc/28/68/70/633286870.db2.gz JLJCTHWILKVSPR-CQSZACIVSA-N 0 1 286.766 2.722 20 30 CFEDMN C#C[C@@H](NCc1cc(C(=O)OC)oc1C)C(C)(C)C ZINC000848912805 633398353 /nfs/dbraw/zinc/39/83/53/633398353.db2.gz WMVMUFRJUZRZJA-CYBMUJFWSA-N 0 1 263.337 2.512 20 30 CFEDMN C#C[C@@H]1CCCN(Cc2c(OC)cc(OC)cc2OC)C1 ZINC000848923742 633406028 /nfs/dbraw/zinc/40/60/28/633406028.db2.gz PLYCZEVCNFTFCM-CYBMUJFWSA-N 0 1 289.375 2.558 20 30 CFEDMN Cn1ncc(C2CCC2)c1/C=C\C(=O)c1ccc(O)cc1O ZINC000849246796 633589994 /nfs/dbraw/zinc/58/99/94/633589994.db2.gz LEAXTEIEAGQABW-FPLPWBNLSA-N 0 1 298.342 2.995 20 30 CFEDMN C#CC[C@H]1CCC[N@H+](Cc2ccc(F)cc2C(=O)[O-])C1 ZINC000849344039 633622007 /nfs/dbraw/zinc/62/20/07/633622007.db2.gz AHRWWAHRWOUBGO-LBPRGKRZSA-N 0 1 275.323 2.759 20 30 CFEDMN C=C[C@@](C)(CC)C(=O)O[C@@H](C)c1n[nH]c(CC)n1 ZINC000849762551 633708439 /nfs/dbraw/zinc/70/84/39/633708439.db2.gz MOZBVXDHJQEZCN-ZANVPECISA-N 0 1 251.330 2.574 20 30 CFEDMN Cn1nc(C(F)(F)F)cc1CNCc1ccc(C#N)cc1 ZINC000850033266 633796489 /nfs/dbraw/zinc/79/64/89/633796489.db2.gz OGYNEJLYSOKWMC-UHFFFAOYSA-N 0 1 294.280 2.600 20 30 CFEDMN C#C[C@@H](NCc1cc2ccc(C)cc2[nH]1)[C@@H]1CCCO1 ZINC000850251052 633912743 /nfs/dbraw/zinc/91/27/43/633912743.db2.gz KSWQIDSEQNCTBT-WBVHZDCISA-N 0 1 268.360 2.747 20 30 CFEDMN C#C[C@@H](NCc1ccc(OCC)cc1C)[C@H]1CCCO1 ZINC000850251353 633913466 /nfs/dbraw/zinc/91/34/66/633913466.db2.gz UCZGOBSSVGJXBS-IAGOWNOFSA-N 0 1 273.376 2.664 20 30 CFEDMN C#CCOc1ccccc1CN[C@H]1CCCn2nccc21 ZINC000850443302 633995079 /nfs/dbraw/zinc/99/50/79/633995079.db2.gz LBSQSDHUIQZQOY-HNNXBMFYSA-N 0 1 281.359 2.520 20 30 CFEDMN CO[C@@H]1CC[C@H](C(=O)[C@@H](C#N)c2nc3cccc(C)c3[nH]2)C1 ZINC000850849840 634110137 /nfs/dbraw/zinc/11/01/37/634110137.db2.gz KUXQOZHGJSWJJJ-YNEHKIRRSA-N 0 1 297.358 2.863 20 30 CFEDMN C[C@@H](CC(C)(C)C#N)OC(=O)c1ccc2cncn2c1 ZINC000851204214 634268740 /nfs/dbraw/zinc/26/87/40/634268740.db2.gz LZTZCOOUJDOSCR-NSHDSACASA-N 0 1 271.320 2.819 20 30 CFEDMN C#Cc1cccnc1NCCN1CCc2sccc2C1 ZINC000853228572 634946047 /nfs/dbraw/zinc/94/60/47/634946047.db2.gz LYROFWLDLSYWRN-UHFFFAOYSA-N 0 1 283.400 2.595 20 30 CFEDMN FC(F)(F)c1cccc(NN=Cc2cnc3n2CCC3)n1 ZINC000853311049 634965648 /nfs/dbraw/zinc/96/56/48/634965648.db2.gz WSGQYUGHEDTSFU-UHFFFAOYSA-N 0 1 295.268 2.689 20 30 CFEDMN Cc1cccc2[nH]c(C=NNC3=N[C@H]4CCCC[C@@H]4N3)cc21 ZINC000853324534 634969381 /nfs/dbraw/zinc/96/93/81/634969381.db2.gz JUBXCQUYPWGWRE-HOTGVXAUSA-N 0 1 295.390 2.670 20 30 CFEDMN CC(C)(C)CCNN=Cc1ccnn1-c1ccncc1 ZINC000853332855 634972060 /nfs/dbraw/zinc/97/20/60/634972060.db2.gz SANIMEOAMZRZQA-UHFFFAOYSA-N 0 1 271.368 2.627 20 30 CFEDMN C=CC1CCN(CC(=O)NCCCCCC)CC1 ZINC000111256628 634983132 /nfs/dbraw/zinc/98/31/32/634983132.db2.gz RNSCCOVDXXDBPO-UHFFFAOYSA-N 0 1 252.402 2.581 20 30 CFEDMN CCN(C)c1ccc(C=NN2CCCC[C@@H]2C)cn1 ZINC000853379641 634987458 /nfs/dbraw/zinc/98/74/58/634987458.db2.gz KVBQTDBANAGBPC-ZDUSSCGKSA-N 0 1 260.385 2.746 20 30 CFEDMN Cc1nnc(NN=Cc2cccc(C(F)(F)F)c2)n1C ZINC000853433241 634998544 /nfs/dbraw/zinc/99/85/44/634998544.db2.gz BJHHTZNFNLXIJQ-UHFFFAOYSA-N 0 1 283.257 2.588 20 30 CFEDMN C(=NOCC1CCC1)c1cc(-c2cccnc2)[nH]n1 ZINC000853439596 635000757 /nfs/dbraw/zinc/00/07/57/635000757.db2.gz MUJBGWTZDLICDT-UHFFFAOYSA-N 0 1 256.309 2.622 20 30 CFEDMN C=CC[C@H]1CCCN(CN2C[C@H](c3cccnc3)CC2=O)C1 ZINC000853537155 635032340 /nfs/dbraw/zinc/03/23/40/635032340.db2.gz QFNSNCWZMKEFGR-DOTOQJQBSA-N 0 1 299.418 2.643 20 30 CFEDMN C=CC[C@@H]1CCCN(CN2C[C@H](C(C)C)CC2=O)C1 ZINC000853536608 635032402 /nfs/dbraw/zinc/03/24/02/635032402.db2.gz FRLFJOXYRRWPBW-HUUCEWRRSA-N 0 1 264.413 2.737 20 30 CFEDMN CN(C)c1ccc(C(N)=NOCC2(C)CCC2)cc1 ZINC000853657103 635063882 /nfs/dbraw/zinc/06/38/82/635063882.db2.gz NBNRLYDMJDRECA-UHFFFAOYSA-N 0 1 261.369 2.580 20 30 CFEDMN C=CCC1(NC(=O)NCc2cc(CC)[nH]n2)CCCC1 ZINC000853766244 635099588 /nfs/dbraw/zinc/09/95/88/635099588.db2.gz SGYLDYPKRGSCDZ-UHFFFAOYSA-N 0 1 276.384 2.660 20 30 CFEDMN C=C(C)CN1CC[C@H](NC(=O)c2ccc(CC)s2)C1 ZINC001015146802 651195884 /nfs/dbraw/zinc/19/58/84/651195884.db2.gz BUDUYDXTJOPKRC-LBPRGKRZSA-N 0 1 278.421 2.691 20 30 CFEDMN C#Cc1ccc(NC(=O)CCN2CC[C@@H](C)[C@H](F)C2)cc1 ZINC000930244706 635481137 /nfs/dbraw/zinc/48/11/37/635481137.db2.gz OTWUFOFEFSTGTI-CZUORRHYSA-N 0 1 288.366 2.676 20 30 CFEDMN C=CCN(CC1CCCCC1)CN1CCCC1=O ZINC000113245661 635511982 /nfs/dbraw/zinc/51/19/82/635511982.db2.gz VKLDCONJQFOOCW-UHFFFAOYSA-N 0 1 250.386 2.635 20 30 CFEDMN C=CCCO[N-]C(=O)[C@@H](c1ccc(Cl)cc1)[NH+](C)C ZINC000856028447 635704553 /nfs/dbraw/zinc/70/45/53/635704553.db2.gz TVVQZZWBSIMZKO-CYBMUJFWSA-N 0 1 282.771 2.567 20 30 CFEDMN COc1cccc(C(=O)Nc2cc(C#N)ccc2O)c1F ZINC000156948441 650210747 /nfs/dbraw/zinc/21/07/47/650210747.db2.gz OHEHIQDSSVIJMW-UHFFFAOYSA-N 0 1 286.262 2.664 20 30 CFEDMN C=CCCCC(=O)NC[C@H]1CCN1Cc1ccccc1 ZINC000856358569 635796677 /nfs/dbraw/zinc/79/66/77/635796677.db2.gz RLRMUEMWWUTNEL-MRXNPFEDSA-N 0 1 272.392 2.733 20 30 CFEDMN C=CCCC(C)(C)NC(=O)c1nnc2ccccc2c1O ZINC000856374198 635799188 /nfs/dbraw/zinc/79/91/88/635799188.db2.gz RKOSSQUIQOXREX-UHFFFAOYSA-N 0 1 285.347 2.810 20 30 CFEDMN C#CCN1CCC[C@@H]1COC(=O)/C=C(\C)c1cccs1 ZINC000857011640 635904250 /nfs/dbraw/zinc/90/42/50/635904250.db2.gz WUBSELIZNHNBAF-YPDDLIOESA-N 0 1 289.400 2.792 20 30 CFEDMN C#C[C@H]1CCCN(Cc2ccnn2CCc2ccccc2)C1 ZINC000857049713 635918061 /nfs/dbraw/zinc/91/80/61/635918061.db2.gz QMWRZBCOOJOHNF-KRWDZBQOSA-N 0 1 293.414 2.971 20 30 CFEDMN C=CCN1CCC[C@H](Oc2ccc(C3CC3)cn2)C1 ZINC000858013733 636115573 /nfs/dbraw/zinc/11/55/73/636115573.db2.gz KVGPOTLJEKNKFE-HNNXBMFYSA-N 0 1 258.365 2.988 20 30 CFEDMN N#CC(C(=O)C[C@@H]1OCCc2ccccc21)c1ccccn1 ZINC000115903233 636138949 /nfs/dbraw/zinc/13/89/49/636138949.db2.gz JSNCZLCRKYHOGX-QAPCUYQASA-N 0 1 292.338 2.962 20 30 CFEDMN C#CC[C@@H](COC)NCc1nc2ccc(F)cc2s1 ZINC000858335236 636196172 /nfs/dbraw/zinc/19/61/72/636196172.db2.gz QFKZKPVFYFFJSK-NSHDSACASA-N 0 1 278.352 2.563 20 30 CFEDMN C=CC[C@H]1CC[C@@H](NC(c2ccnn2C)c2ccnn2C)C1 ZINC000858585617 636300689 /nfs/dbraw/zinc/30/06/89/636300689.db2.gz LGZORGLSQQBPCD-UONOGXRCSA-N 0 1 299.422 2.577 20 30 CFEDMN C=CC[C@H]1CCN(Cc2c(Cl)ncnc2N(C)C)C1 ZINC000859445161 636566416 /nfs/dbraw/zinc/56/64/16/636566416.db2.gz CYEGCLTYYLWWFR-NSHDSACASA-N 0 1 280.803 2.594 20 30 CFEDMN C=C(Cl)CSc1nc(-c2ccccn2)n[nH]1 ZINC000117116542 636755145 /nfs/dbraw/zinc/75/51/45/636755145.db2.gz RGBDXLYGBQJITF-UHFFFAOYSA-N 0 1 252.730 2.711 20 30 CFEDMN CCO[C@H](C(=O)C(C#N)c1nc(C)cs1)C(C)C ZINC000860450059 636887217 /nfs/dbraw/zinc/88/72/17/636887217.db2.gz LOYQPBBTEVBYDA-JQWIXIFHSA-N 0 1 266.366 2.689 20 30 CFEDMN Cc1cc(C(C#N)C(=O)C[C@H](C)C(F)(F)F)nc(C)n1 ZINC000860465607 636891348 /nfs/dbraw/zinc/89/13/48/636891348.db2.gz KZQOPNDEHRCGFH-XVKPBYJWSA-N 0 1 285.269 2.858 20 30 CFEDMN C=CCNC(=O)C(C#N)C(=O)CC(C1CCC1)C1CCC1 ZINC000860470911 636892461 /nfs/dbraw/zinc/89/24/61/636892461.db2.gz AMBLXUGSUVBPJU-HNNXBMFYSA-N 0 1 288.391 2.604 20 30 CFEDMN CSCCCCCCC(=O)C(C#N)C(=O)NC(C)C ZINC000860473305 636892508 /nfs/dbraw/zinc/89/25/08/636892508.db2.gz KXNSBWBYSAWDRM-LBPRGKRZSA-N 0 1 284.425 2.533 20 30 CFEDMN CCCC[C@@H](CC)CC(=O)[C@H](C#N)C(=O)NC1CC1 ZINC000117532382 636896691 /nfs/dbraw/zinc/89/66/91/636896691.db2.gz CTIPTEJRGQOEAZ-YPMHNXCESA-N 0 1 264.369 2.580 20 30 CFEDMN Cc1cccc2nc([C@H](C#N)C(=O)C34CC(C3)C4)[nH]c21 ZINC000860557167 636910552 /nfs/dbraw/zinc/91/05/52/636910552.db2.gz UFQJPOHONLVUBG-NOEPWBJOSA-N 0 1 265.316 2.848 20 30 CFEDMN CCO[C@H](C(=O)C(C#N)c1cnc2ccccc2n1)C(C)C ZINC000860701401 636949630 /nfs/dbraw/zinc/94/96/30/636949630.db2.gz ADYAGKHGQAFFND-SJCJKPOMSA-N 0 1 297.358 2.867 20 30 CFEDMN C=CC[C@H](C=C)OC(=O)[C@@]1(F)CCN(C(C)(C)C)C1 ZINC000860929013 637022306 /nfs/dbraw/zinc/02/23/06/637022306.db2.gz PCLIPHODDOLJNB-SWLSCSKDSA-N 0 1 269.360 2.873 20 30 CFEDMN C#C[C@H](NCc1cc(C)c(Br)cn1)C(C)C ZINC000862362698 637334974 /nfs/dbraw/zinc/33/49/74/637334974.db2.gz CRCCHLDCYZPULQ-ZDUSSCGKSA-N 0 1 281.197 2.900 20 30 CFEDMN COc1cc2c(cc1C=NNc1ccncc1C)O[C@@H](C)C2 ZINC000863157038 637571335 /nfs/dbraw/zinc/57/13/35/637571335.db2.gz GHAOFTFVWILGRO-LBPRGKRZSA-N 0 1 297.358 2.590 20 30 CFEDMN Cc1cnccc1NN=Cc1ncc(C(C)C)s1 ZINC000863157862 637571861 /nfs/dbraw/zinc/57/18/61/637571861.db2.gz IYLFEVLXDPYGBX-UHFFFAOYSA-N 0 1 260.366 2.838 20 30 CFEDMN N#CC1(CNC[C@@H](O)c2ccccc2)CCCCC1 ZINC000863573715 637699861 /nfs/dbraw/zinc/69/98/61/637699861.db2.gz SCGBRCQVMVCIIL-OAHLLOKOSA-N 0 1 258.365 2.784 20 30 CFEDMN C#CCN1CCC(C(=O)N2CCC[C@H](C/C=C\C)C2)CC1 ZINC000863815646 637788418 /nfs/dbraw/zinc/78/84/18/637788418.db2.gz ZHXFDFSEARHNTG-IMMZDGJCSA-N 0 1 288.435 2.536 20 30 CFEDMN C=C(C)C[C@H]([NH2+]Cc1csc(C(C)(C)C)n1)C(=O)[O-] ZINC000864529015 638013774 /nfs/dbraw/zinc/01/37/74/638013774.db2.gz BLURXUZXIKNLRP-NSHDSACASA-N 0 1 282.409 2.950 20 30 CFEDMN COc1cncc(CNCc2ccc(OCC#N)cc2)c1C ZINC000865452097 638344584 /nfs/dbraw/zinc/34/45/84/638344584.db2.gz JPEPMRKHBZZPDI-UHFFFAOYSA-N 0 1 297.358 2.591 20 30 CFEDMN Cc1[nH]ncc1CNc1cc(C(F)(F)F)cc(C#N)n1 ZINC000865467506 638355182 /nfs/dbraw/zinc/35/51/82/638355182.db2.gz KHKUDIBBFKKESG-UHFFFAOYSA-N 0 1 281.241 2.616 20 30 CFEDMN COc1ccc(CNCc2cncc(OC)c2C)cc1C#N ZINC000865505061 638383374 /nfs/dbraw/zinc/38/33/74/638383374.db2.gz AVNBWVRXBVUXOH-UHFFFAOYSA-N 0 1 297.358 2.569 20 30 CFEDMN C[C@@H]1[C@H](C)N(C)CCN1c1cc(C(F)(F)F)cc(C#N)n1 ZINC000865654336 638491043 /nfs/dbraw/zinc/49/10/43/638491043.db2.gz NKPRZIKRNPWWHH-VHSXEESVSA-N 0 1 298.312 2.501 20 30 CFEDMN C[C@](CO)(Cc1ccccc1F)NCc1ccccc1C#N ZINC000865715590 638531598 /nfs/dbraw/zinc/53/15/98/638531598.db2.gz BSFVPWHGSHRNPI-GOSISDBHSA-N 0 1 298.361 2.781 20 30 CFEDMN N#Cc1cc(C(F)(F)F)cc(NCCN2CC=CCC2)n1 ZINC000865746044 638549702 /nfs/dbraw/zinc/54/97/02/638549702.db2.gz IPQKCCVOBRIHDA-UHFFFAOYSA-N 0 1 296.296 2.646 20 30 CFEDMN N#CCC1(CNc2ccncc2C(F)(F)F)CC1 ZINC000865751494 638552266 /nfs/dbraw/zinc/55/22/66/638552266.db2.gz NPLDWNYCIZRUIN-UHFFFAOYSA-N 0 1 255.243 2.628 20 30 CFEDMN C[C@@H](NCc1ccc(C2(C#N)CC2)cc1)c1ccnn1C ZINC000865837406 638602544 /nfs/dbraw/zinc/60/25/44/638602544.db2.gz FJGAJPMOZQAUKO-CYBMUJFWSA-N 0 1 280.375 2.826 20 30 CFEDMN CCc1nc(CN[C@H]2Cc3ccc(C#N)cc3C2)cs1 ZINC000865847486 638610288 /nfs/dbraw/zinc/61/02/88/638610288.db2.gz FPDLHILTERHJBN-AWEZNQCLSA-N 0 1 283.400 2.834 20 30 CFEDMN CC(C)N1CCC([NH2+][C@H](C)c2cccc(C#N)c2[O-])CC1 ZINC000866290452 638790217 /nfs/dbraw/zinc/79/02/17/638790217.db2.gz XVOSMMQIOBVJGF-CYBMUJFWSA-N 0 1 287.407 2.787 20 30 CFEDMN N#Cc1ccc(CN[C@@H]2CCCc3ncccc32)nc1 ZINC000866342904 638800023 /nfs/dbraw/zinc/80/00/23/638800023.db2.gz GNUBJOARTIPXGS-MRXNPFEDSA-N 0 1 264.332 2.515 20 30 CFEDMN C=C[C@H](CO)N[C@@H](C)c1cc2c(ccnc2Cl)o1 ZINC000866391316 638812656 /nfs/dbraw/zinc/81/26/56/638812656.db2.gz FCSNRHFJCAMMPH-DTWKUNHWSA-N 0 1 266.728 2.679 20 30 CFEDMN Cn1cc(C(F)F)c(CN[C@@H]2CCC[C@H](C#N)C2)n1 ZINC000866565745 638846534 /nfs/dbraw/zinc/84/65/34/638846534.db2.gz QCWUWUIQYOBDST-VHSXEESVSA-N 0 1 268.311 2.530 20 30 CFEDMN N#Cc1ccc2c(c1)CCN[C@@H]2C(=O)N1CCCCCCC1 ZINC000867944216 638907403 /nfs/dbraw/zinc/90/74/03/638907403.db2.gz ALEQZMKUPOPNAQ-KRWDZBQOSA-N 0 1 297.402 2.538 20 30 CFEDMN CC[C@H](C)C[C@H](C)NC(=O)[C@H]1NCCc2cc(C#N)ccc21 ZINC000867953197 638908505 /nfs/dbraw/zinc/90/85/05/638908505.db2.gz PPJIHLYWUSMAJH-DCGLDWPTSA-N 0 1 299.418 2.686 20 30 CFEDMN CCN(C)c1ccc(/C=C/C(=O)c2ccc(O)cc2O)cn1 ZINC000191319078 650490149 /nfs/dbraw/zinc/49/01/49/650490149.db2.gz WYYIGZSSHPXURZ-XBXARRHUSA-N 0 1 298.342 2.845 20 30 CFEDMN CC[C@@H](CC(=O)C(C#N)C(=O)N1CCCC1)C(C)(C)C ZINC000870132411 639526805 /nfs/dbraw/zinc/52/68/05/639526805.db2.gz GHQPYCVVRGYMDZ-QWHCGFSZSA-N 0 1 278.396 2.780 20 30 CFEDMN CCCCCCNC(=O)C(C#N)C(=O)[C@@H]1C[C@@H]1[C@H]1C[C@@H]1C ZINC000870134263 639528005 /nfs/dbraw/zinc/52/80/05/639528005.db2.gz LYCHTXJOBSJUIF-VQJWOFKYSA-N 0 1 290.407 2.684 20 30 CFEDMN Cc1cccc2nc([C@H](C#N)C(=O)[C@@H]3C[C@H](C)O[C@@H]3C)[nH]c21 ZINC000870207724 639544552 /nfs/dbraw/zinc/54/45/52/639544552.db2.gz OAZVSIXXDXGFPY-UMSGYPCISA-N 0 1 297.358 2.861 20 30 CFEDMN N#Cc1cccc(ONC(=O)[C@@H]2CCCCCC(=O)C2)c1 ZINC000870691036 639773627 /nfs/dbraw/zinc/77/36/27/639773627.db2.gz YCXZNFGSGRRMDK-CYBMUJFWSA-N 0 1 286.331 2.508 20 30 CFEDMN COC1(C(=O)Nc2nc3ccc(C#N)cc3[nH]2)CCCCC1 ZINC000871071203 641184855 /nfs/dbraw/zinc/18/48/55/641184855.db2.gz BFDGBLVOZFMXCJ-UHFFFAOYSA-N 0 1 298.346 2.722 20 30 CFEDMN N#Cc1ccc2nc(NC(=O)[C@@H]3CC3(Cl)Cl)[nH]c2c1 ZINC000871070137 641185148 /nfs/dbraw/zinc/18/51/48/641185148.db2.gz HHXZLGPRNXZJNR-ZETCQYMHSA-N 0 1 295.129 2.567 20 30 CFEDMN C[C@@H]1C[C@@H]1[C@@H]1C[C@H]1C(=O)Nc1nc2ccc(C#N)cc2[nH]1 ZINC000871071452 641185303 /nfs/dbraw/zinc/18/53/03/641185303.db2.gz JXZGWBKTFKWFEI-NUGNTBJXSA-N 0 1 280.331 2.665 20 30 CFEDMN CC(C)(C(=O)Nc1nc2ccc(C#N)cc2[nH]1)C1CC1 ZINC000871072217 641186851 /nfs/dbraw/zinc/18/68/51/641186851.db2.gz JOAMSSHVSZXPCF-UHFFFAOYSA-N 0 1 268.320 2.809 20 30 CFEDMN CC[C@H](C)CC(=O)Nc1nc2ccc(C#N)cc2[nH]1 ZINC000871073225 641186903 /nfs/dbraw/zinc/18/69/03/641186903.db2.gz UEGBVCCYXJKLTN-VIFPVBQESA-N 0 1 256.309 2.809 20 30 CFEDMN C#C[C@@H](CC)N[C@H](CC)C(=O)Nc1ccc(C)cc1 ZINC000871883127 641499281 /nfs/dbraw/zinc/49/92/81/641499281.db2.gz CWCDRQRWQCMUJE-DZGCQCFKSA-N 0 1 258.365 2.714 20 30 CFEDMN C#C[C@H](CC)N[C@@H](CC)C(=O)Nc1ccc(C)cc1 ZINC000871883128 641499469 /nfs/dbraw/zinc/49/94/69/641499469.db2.gz CWCDRQRWQCMUJE-HIFRSBDPSA-N 0 1 258.365 2.714 20 30 CFEDMN N#Cc1cccc(CN2CCC[C@@H](OC3CCC3)CC2)n1 ZINC000872259194 641723361 /nfs/dbraw/zinc/72/33/61/641723361.db2.gz OARGLZHMSBLUTB-QGZVFWFLSA-N 0 1 285.391 2.877 20 30 CFEDMN N#C[C@H](C(=O)C[C@@H]1CCCOC1)c1cnc2ccccc2n1 ZINC000193734319 650689453 /nfs/dbraw/zinc/68/94/53/650689453.db2.gz VDPQUJUHKPBWBW-STQMWFEESA-N 0 1 295.342 2.623 20 30 CFEDMN CN1CCN(Cc2ccc(CC#N)cc2)Cc2cccnc21 ZINC000872317691 641753967 /nfs/dbraw/zinc/75/39/67/641753967.db2.gz BVWUIYVXEPTHDV-UHFFFAOYSA-N 0 1 292.386 2.600 20 30 CFEDMN FC(F)(F)CCON=C1CCCN2CCSC[C@H]12 ZINC000872365649 641771382 /nfs/dbraw/zinc/77/13/82/641771382.db2.gz APJVHFTYGGWYOO-SNVBAGLBSA-N 0 1 282.331 2.523 20 30 CFEDMN FC(F)(F)CCON=C1CCC[N@H+]2CCSC[C@H]12 ZINC000872365649 641771378 /nfs/dbraw/zinc/77/13/78/641771378.db2.gz APJVHFTYGGWYOO-SNVBAGLBSA-N 0 1 282.331 2.523 20 30 CFEDMN FC(F)(F)CCON=C1CCC[N@H+]2CCSC[C@@H]12 ZINC000872365648 641771684 /nfs/dbraw/zinc/77/16/84/641771684.db2.gz APJVHFTYGGWYOO-JTQLQIEISA-N 0 1 282.331 2.523 20 30 CFEDMN FC(F)(F)CCON=C1CCCN2CCSC[C@@H]12 ZINC000872365648 641771688 /nfs/dbraw/zinc/77/16/88/641771688.db2.gz APJVHFTYGGWYOO-JTQLQIEISA-N 0 1 282.331 2.523 20 30 CFEDMN CC(C)c1cc([C@H]2CCCN(c3c(C#N)cnn3C)C2)[nH]n1 ZINC000872649096 641885064 /nfs/dbraw/zinc/88/50/64/641885064.db2.gz SLYNACRREKZDNT-LBPRGKRZSA-N 0 1 298.394 2.522 20 30 CFEDMN C#Cc1cnc(N2CCC[C@@H](c3cc(C(C)C)n[nH]3)C2)nc1 ZINC000872647630 641885139 /nfs/dbraw/zinc/88/51/39/641885139.db2.gz HGPVJYVOVTUEHO-CQSZACIVSA-N 0 1 295.390 2.688 20 30 CFEDMN C=C(C)CNC(=O)N1CCC[C@@H](c2cc(C(C)C)[nH]n2)C1 ZINC000872977839 641974851 /nfs/dbraw/zinc/97/48/51/641974851.db2.gz HISMKLUEVWCESB-CYBMUJFWSA-N 0 1 290.411 2.998 20 30 CFEDMN C=C(Cl)CNCc1ccc(OC)c(Cn2cccn2)c1 ZINC000873057328 641997380 /nfs/dbraw/zinc/99/73/80/641997380.db2.gz ZLMGYTAOSBNETL-UHFFFAOYSA-N 0 1 291.782 2.782 20 30 CFEDMN C[C@@](O)(CNCc1cccc(F)c1C#N)c1cccs1 ZINC000873058534 641998378 /nfs/dbraw/zinc/99/83/78/641998378.db2.gz QBVSPJAGKKGZJT-OAHLLOKOSA-N 0 1 290.363 2.756 20 30 CFEDMN CC[C@H](NCc1nc(C#N)cs1)[C@@H](O)c1ccccc1 ZINC000873194844 642059347 /nfs/dbraw/zinc/05/93/47/642059347.db2.gz JGQPYBIXEHVFSR-ZFWWWQNUSA-N 0 1 287.388 2.617 20 30 CFEDMN N#CCOc1ccc(CNCc2cccc([N+](=O)[O-])c2)cc1 ZINC000194683744 650723829 /nfs/dbraw/zinc/72/38/29/650723829.db2.gz RVNOMBGXACFKRF-UHFFFAOYSA-N 0 1 297.314 2.787 20 30 CFEDMN C=C(Cl)CN[C@H]1CCN(C(=O)C2(C)CCCCC2)C1 ZINC001019324121 651283148 /nfs/dbraw/zinc/28/31/48/651283148.db2.gz SGWCSWCYJVZQFP-ZDUSSCGKSA-N 0 1 284.831 2.900 20 30 CFEDMN C#C[C@H]1CC[C@H](NC(=O)c2c(C)n[nH]c2C(C)C)CC1 ZINC000874861330 642533407 /nfs/dbraw/zinc/53/34/07/642533407.db2.gz KOBPCWCPSAFCHN-JOCQHMNTSA-N 0 1 273.380 2.763 20 30 CFEDMN C=C(C)COCCNCc1cc(Cl)ccc1[N+](=O)[O-] ZINC000125782783 642780427 /nfs/dbraw/zinc/78/04/27/642780427.db2.gz AHTFAISYZMYNLN-UHFFFAOYSA-N 0 1 284.743 2.931 20 30 CFEDMN C#CCCCCCCN1CCN(c2ncccc2C#N)CC1 ZINC000876557480 642920190 /nfs/dbraw/zinc/92/01/90/642920190.db2.gz XPZBMPKIMLCPJJ-UHFFFAOYSA-N 0 1 296.418 2.659 20 30 CFEDMN CC(C)NC(=O)[C@@H](C#N)C(=O)CC1(C)CCCCC1 ZINC000126145178 642995738 /nfs/dbraw/zinc/99/57/38/642995738.db2.gz REAKZVGUDYRRIE-LBPRGKRZSA-N 0 1 264.369 2.580 20 30 CFEDMN CO[C@H]1C[C@@H](NCc2cc(C#N)cnc2Cl)C1(C)C ZINC000877076872 643138149 /nfs/dbraw/zinc/13/81/49/643138149.db2.gz SKFNOUCFKRWENP-NEPJUHHUSA-N 0 1 279.771 2.510 20 30 CFEDMN COC(=O)CCC(C)(C)NCc1cccc(F)c1C#N ZINC000877354881 643248239 /nfs/dbraw/zinc/24/82/39/643248239.db2.gz FDFYCUSXHRKUOW-UHFFFAOYSA-N 0 1 278.327 2.519 20 30 CFEDMN CO[C@@H]([C@H](C)NCc1cc(C#N)cnc1Cl)C1CC1 ZINC000877572547 643371685 /nfs/dbraw/zinc/37/16/85/643371685.db2.gz IMTQFDLMJTWMPR-ZANVPECISA-N 0 1 279.771 2.510 20 30 CFEDMN CC(C)(CC#N)CNCc1cc(C#N)cnc1Cl ZINC000877582846 643378837 /nfs/dbraw/zinc/37/88/37/643378837.db2.gz AQCOUAONUMPJRI-UHFFFAOYSA-N 0 1 262.744 2.636 20 30 CFEDMN C[C@@H](COCC1CC1)NCc1cc(C#N)cnc1Cl ZINC000877613462 643399895 /nfs/dbraw/zinc/39/98/95/643399895.db2.gz JISOQVMINLQMAX-JTQLQIEISA-N 0 1 279.771 2.511 20 30 CFEDMN C=CCCSCCNCc1ccc(Cl)nn1 ZINC000877624793 643410578 /nfs/dbraw/zinc/41/05/78/643410578.db2.gz RYBGVDUAGNCAEC-UHFFFAOYSA-N 0 1 257.790 2.529 20 30 CFEDMN N#Cc1cnc(Cl)c(CNCC2SCCS2)c1 ZINC000877638102 643423204 /nfs/dbraw/zinc/42/32/04/643423204.db2.gz AVBAGQJYXYLXHA-UHFFFAOYSA-N 0 1 285.825 2.502 20 30 CFEDMN C#CC[C@@H]1CCN(Cc2nccc(C)c2Br)C1 ZINC000877650879 643431992 /nfs/dbraw/zinc/43/19/92/643431992.db2.gz OYYMTDNSCYSSMA-GFCCVEGCSA-N 0 1 293.208 2.998 20 30 CFEDMN Cc1cnc(CNC2CCN(c3ccccc3C#N)CC2)o1 ZINC000877682593 643451146 /nfs/dbraw/zinc/45/11/46/643451146.db2.gz QKMXONPPCUYVNV-UHFFFAOYSA-N 0 1 296.374 2.613 20 30 CFEDMN Cc1nocc1CN(C)CCc1cccc(C#N)c1 ZINC000877705204 643471812 /nfs/dbraw/zinc/47/18/12/643471812.db2.gz WHEHOZJISKCTDY-UHFFFAOYSA-N 0 1 255.321 2.529 20 30 CFEDMN C[C@@H](CCC#N)CN1Cc2cccnc2N2CCC[C@H]2C1 ZINC000877762548 643541402 /nfs/dbraw/zinc/54/14/02/643541402.db2.gz LOZGUAVXZHAHDA-HOCLYGCPSA-N 0 1 284.407 2.806 20 30 CFEDMN C#Cc1ccc(CN2CCCN(C(=O)CC(C)C)CC2)cc1 ZINC000877774303 643552503 /nfs/dbraw/zinc/55/25/03/643552503.db2.gz IGDQDKLSDVMLHL-UHFFFAOYSA-N 0 1 298.430 2.748 20 30 CFEDMN COC(=O)CC[C@H]1CCCN(Cc2ccccc2C#N)C1 ZINC000877818040 643582083 /nfs/dbraw/zinc/58/20/83/643582083.db2.gz CSYHRKVWUIKKGC-CQSZACIVSA-N 0 1 286.375 2.723 20 30 CFEDMN C#C[C@H]1CC[C@H]([NH2+]Cc2c(F)ccc([O-])c2F)CC1 ZINC000877834231 643599263 /nfs/dbraw/zinc/59/92/63/643599263.db2.gz QLFWXYHTPCJDIT-XYPYZODXSA-N 0 1 265.303 2.952 20 30 CFEDMN C=CC[C@@H](C(=O)OC)N(C)CCCc1ccc(OC)cc1 ZINC000877988066 643681049 /nfs/dbraw/zinc/68/10/49/643681049.db2.gz BRCNVBBMBYMOPX-INIZCTEOSA-N 0 1 291.391 2.677 20 30 CFEDMN CCC[N@@H+](C)CC[C@@](C#N)(C(C)=O)c1ccccc1 ZINC000878013373 643692036 /nfs/dbraw/zinc/69/20/36/643692036.db2.gz FKXUJNFBHYYRLL-MRXNPFEDSA-N 0 1 258.365 2.769 20 30 CFEDMN C=CC[C@H](C(=O)OC)N1CC[C@@H](c2ccccc2)C1 ZINC000878014112 643693532 /nfs/dbraw/zinc/69/35/32/643693532.db2.gz IBKQBXDVBBLCTH-HUUCEWRRSA-N 0 1 259.349 2.594 20 30 CFEDMN C=CC1CCN(Cc2nnc(-c3ccccc3O)o2)CC1 ZINC000878095582 643731805 /nfs/dbraw/zinc/73/18/05/643731805.db2.gz YCLBSGBWJGAYIM-UHFFFAOYSA-N 0 1 285.347 2.840 20 30 CFEDMN CC(C)CN(CCC#N)C[C@H]1CCC2(CCOCC2)CO1 ZINC000878121590 643746625 /nfs/dbraw/zinc/74/66/25/643746625.db2.gz MNELHMGKBKSCKP-MRXNPFEDSA-N 0 1 294.439 2.834 20 30 CFEDMN C=C1CCC(C(=O)Nc2cnn(-c3ccncc3)c2)CC1 ZINC000888753682 643760556 /nfs/dbraw/zinc/76/05/56/643760556.db2.gz VRCFNYDXWNZWDK-UHFFFAOYSA-N 0 1 282.347 2.952 20 30 CFEDMN Cc1ccc(CCCCC(=O)C(C#N)C(=O)NC2CC2)cc1 ZINC000126945682 643772384 /nfs/dbraw/zinc/77/23/84/643772384.db2.gz QIJVSNAVFFKYIT-MRXNPFEDSA-N 0 1 298.386 2.695 20 30 CFEDMN C=CC[C@H](C)N1CCN([C@H](C)C(F)(F)F)CC1 ZINC000878167241 643773787 /nfs/dbraw/zinc/77/37/87/643773787.db2.gz CMJLQRHRFKXHOS-WDEREUQCSA-N 0 1 250.308 2.519 20 30 CFEDMN C=CCCN1CC[C@H]1CN(C)C(=O)c1cc(C(C)C)no1 ZINC001085854429 782188897 /nfs/dbraw/zinc/18/88/97/782188897.db2.gz YIECKSBYNHHZLK-ZDUSSCGKSA-N 0 1 291.395 2.520 20 30 CFEDMN C=CC[C@H](C)N1CCN([C@H](C)c2nccs2)CC1 ZINC000878436671 643894594 /nfs/dbraw/zinc/89/45/94/643894594.db2.gz DCVYJJNMYVHGJL-QWHCGFSZSA-N 0 1 265.426 2.786 20 30 CFEDMN N#Cc1ccc(O)c(NC(=O)c2ccnc(Cl)c2F)c1 ZINC000127137657 643908310 /nfs/dbraw/zinc/90/83/10/643908310.db2.gz QNUYYRKRORPPTR-UHFFFAOYSA-N 0 1 291.669 2.704 20 30 CFEDMN CC(C)NC(=O)OC[C@@H]1CCCCN1CC1(CC#N)CC1 ZINC000878614790 643958891 /nfs/dbraw/zinc/95/88/91/643958891.db2.gz RNGADNLQOJASQG-AWEZNQCLSA-N 0 1 293.411 2.669 20 30 CFEDMN C#CCCCCCN1CCn2ncc(Br)c2C1 ZINC000878961791 644090607 /nfs/dbraw/zinc/09/06/07/644090607.db2.gz HPPJQYPCHSNHIK-UHFFFAOYSA-N 0 1 296.212 2.655 20 30 CFEDMN C=CCCC[N@H+]1CCc2cccc(NC(C)=O)c2C1 ZINC000879234916 644184456 /nfs/dbraw/zinc/18/44/56/644184456.db2.gz GMHARZLHXIQUJI-UHFFFAOYSA-N 0 1 258.365 2.969 20 30 CFEDMN CC(=O)Nc1cccc2c1CN(CCC(C)(C)C#N)CC2 ZINC000879237434 644184637 /nfs/dbraw/zinc/18/46/37/644184637.db2.gz IULNTRPHXUSRKJ-UHFFFAOYSA-N 0 1 285.391 2.943 20 30 CFEDMN CN(CCCN(C)[C@@H]1CCC[C@@H]1C#N)C(=O)OC(C)(C)C ZINC000879309154 644216724 /nfs/dbraw/zinc/21/67/24/644216724.db2.gz KRACMRITNYUWQA-ZIAGYGMSSA-N 0 1 295.427 2.867 20 30 CFEDMN CN(CC[C@@H](O)c1ccccc1)[C@@H]1CCC[C@H]1C#N ZINC000879308560 644216868 /nfs/dbraw/zinc/21/68/68/644216868.db2.gz CRSMHUVYUCEKJL-ARFHVFGLSA-N 0 1 258.365 2.734 20 30 CFEDMN COc1cccc(CON=C(N)c2ccc(N(C)C)cc2)c1 ZINC000127797469 644287559 /nfs/dbraw/zinc/28/75/59/644287559.db2.gz KLRPBFPEQNJAKK-UHFFFAOYSA-N 0 1 299.374 2.598 20 30 CFEDMN C=C(CC)C[N@@H+]1CCN[C@H](c2cccc(OC)c2)C1 ZINC000879523897 644303533 /nfs/dbraw/zinc/30/35/33/644303533.db2.gz HGRJLZRKQNQAIK-INIZCTEOSA-N 0 1 260.381 2.608 20 30 CFEDMN CC[C@H]1COCCN1Cc1ccc(N(C)CCC#N)cc1 ZINC000091981547 650913511 /nfs/dbraw/zinc/91/35/11/650913511.db2.gz RERKPIPOQNQKHF-INIZCTEOSA-N 0 1 287.407 2.647 20 30 CFEDMN C=CC[N@H+](CCCOc1cc(C)ccc1C)CC(=O)[O-] ZINC000092466502 650920213 /nfs/dbraw/zinc/92/02/13/650920213.db2.gz FDUVXBIYPANPOU-UHFFFAOYSA-N 0 1 277.364 2.645 20 30 CFEDMN C[C@@H]1CN([C@@H]2CC[C@H](C#N)C2)CC[C@H](C(F)(F)F)O1 ZINC000880067020 644520699 /nfs/dbraw/zinc/52/06/99/644520699.db2.gz MRBMUNPDWKYZBB-WRWGMCAJSA-N 0 1 276.302 2.720 20 30 CFEDMN COC(=O)c1ccc2c(c1)CCN([C@H]1CC[C@H](C#N)C1)C2 ZINC000880351319 644663022 /nfs/dbraw/zinc/66/30/22/644663022.db2.gz QPIGQBCTNTUXQZ-LRDDRELGSA-N 0 1 284.359 2.524 20 30 CFEDMN COC(=O)c1ccc2c(c1)CCN(CCC(C)(C)C#N)C2 ZINC000880352009 644663122 /nfs/dbraw/zinc/66/31/22/644663122.db2.gz GJNBAWZSYNHODO-UHFFFAOYSA-N 0 1 286.375 2.771 20 30 CFEDMN C=C1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1c2cn[nH]c2CC[C@H]1C ZINC000880749694 644826347 /nfs/dbraw/zinc/82/63/47/644826347.db2.gz OGUUXZXDBKGTJI-FOCJUVANSA-N 0 1 285.391 2.785 20 30 CFEDMN C=CC(C)(C)CC(=O)Nc1nc2ccc(C#N)cc2[nH]1 ZINC000881363048 644961454 /nfs/dbraw/zinc/96/14/54/644961454.db2.gz IUICWLYOTVQJGA-UHFFFAOYSA-N 0 1 268.320 2.975 20 30 CFEDMN C#CCCN1CCN(c2cc(C(C)(C)C)ccn2)CC1 ZINC000881912842 645153107 /nfs/dbraw/zinc/15/31/07/645153107.db2.gz IFHCXZYIBNKELY-UHFFFAOYSA-N 0 1 271.408 2.524 20 30 CFEDMN N=C(N)NN=Cc1ccc(-c2ccc(Cl)cc2)s1 ZINC000252453338 651005663 /nfs/dbraw/zinc/00/56/63/651005663.db2.gz HMARSBUWRCSMGG-UHFFFAOYSA-N 0 1 278.768 2.885 20 30 CFEDMN C=CCCN1CCC[C@@H](NC(=O)c2sccc2F)C1 ZINC001007281675 651013687 /nfs/dbraw/zinc/01/36/87/651013687.db2.gz SLWHECIAKYJZAB-LLVKDONJSA-N 0 1 282.384 2.658 20 30 CFEDMN C#Cc1ccc(CNCc2cn(C)nc2C(F)F)cc1 ZINC000883132112 645619425 /nfs/dbraw/zinc/61/94/25/645619425.db2.gz GNLLKNDNTIFSNI-UHFFFAOYSA-N 0 1 275.302 2.629 20 30 CFEDMN C=CCC[C@@H](CO)NCc1c(Cl)cncc1Cl ZINC000883138545 645622334 /nfs/dbraw/zinc/62/23/34/645622334.db2.gz HQKFRZBFALGNDI-VIFPVBQESA-N 0 1 275.179 2.805 20 30 CFEDMN N#CC(C(=O)[C@@H]1CC1(Cl)Cl)c1nc2ccccc2[nH]1 ZINC000097466067 651029007 /nfs/dbraw/zinc/02/90/07/651029007.db2.gz GFASFNHVDIIJEH-SFYZADRCSA-N 0 1 294.141 2.933 20 30 CFEDMN C#CC1(NCc2cn3cc(C)ccc3n2)CCCC1 ZINC000883361934 645768421 /nfs/dbraw/zinc/76/84/21/645768421.db2.gz PMEGMBFYRZTBET-UHFFFAOYSA-N 0 1 253.349 2.678 20 30 CFEDMN C=C(C)C[C@H](CO)NCc1nc(C(C)(C)C)cs1 ZINC000883399073 645795577 /nfs/dbraw/zinc/79/55/77/645795577.db2.gz CRRGFQIMWOZCPT-LLVKDONJSA-N 0 1 268.426 2.857 20 30 CFEDMN CNC(=O)C(C#N)C(=O)CC1CCC(C(C)(C)C)CC1 ZINC000133348692 646074807 /nfs/dbraw/zinc/07/48/07/646074807.db2.gz ZFFNLKVDPAQPCV-WXRRBKDZSA-N 0 1 278.396 2.684 20 30 CFEDMN CCc1oc(C(=O)Nc2cc(C#N)ccc2O)cc1C ZINC000133726890 646217099 /nfs/dbraw/zinc/21/70/99/646217099.db2.gz LLZHLPWAEOTNHI-UHFFFAOYSA-N 0 1 270.288 2.980 20 30 CFEDMN Fc1cccc(CC=CN=NC2=N[C@@H]3CCCC[C@@H]3N2)c1 ZINC000884442917 646360363 /nfs/dbraw/zinc/36/03/63/646360363.db2.gz ULFKWDSKUALRHG-ZDDAWQHUSA-N 0 1 286.354 2.685 20 30 CFEDMN C[C@@H]1CN(c2nc3ccccc3cc2C#N)C[C@H](C)N1C ZINC000135266036 646500523 /nfs/dbraw/zinc/50/05/23/646500523.db2.gz FUNMWEIMHIAODY-BETUJISGSA-N 0 1 280.375 2.635 20 30 CFEDMN C[C@H]1CCc2[nH]ncc2[C@H]1C(=O)OCc1ccccc1C#N ZINC000885260511 646651502 /nfs/dbraw/zinc/65/15/02/646651502.db2.gz QTXZICSHCQQAIF-ZBEGNZNMSA-N 0 1 295.342 2.691 20 30 CFEDMN N#CC1(C[C@@H](O)C[N@H+]2CCC[C@@H](C(F)(F)F)C2)CCC1 ZINC000885930691 646771720 /nfs/dbraw/zinc/77/17/20/646771720.db2.gz DUZFGQPPBQXOIM-VXGBXAGGSA-N 0 1 290.329 2.706 20 30 CFEDMN C=CCN(Cc1ccc(OC)cc1)C[C@@](C)(O)C(F)F ZINC000885962582 646786257 /nfs/dbraw/zinc/78/62/57/646786257.db2.gz CDMJJKSKKKSTIY-OAHLLOKOSA-N 0 1 285.334 2.699 20 30 CFEDMN Cc1csc(C(C)(C)NC[C@@H](O)CC2(C#N)CCC2)n1 ZINC000886067984 646852082 /nfs/dbraw/zinc/85/20/82/646852082.db2.gz QZYVTWMDCQZZJS-LBPRGKRZSA-N 0 1 293.436 2.721 20 30 CFEDMN CC[C@@](C)(NC[C@@H](O)CC1(C#N)CCC1)c1nccs1 ZINC000886069304 646853065 /nfs/dbraw/zinc/85/30/65/646853065.db2.gz FULAQAGDGQWAKM-GXTWGEPZSA-N 0 1 293.436 2.803 20 30 CFEDMN N#CC1(C[C@H](O)CN2CCc3c(F)cccc3C2)CCC1 ZINC000886086906 646861077 /nfs/dbraw/zinc/86/10/77/646861077.db2.gz NYWHNUZUWUAWOT-AWEZNQCLSA-N 0 1 288.366 2.629 20 30 CFEDMN COc1ccc(CN[C@@H]2CC[C@H](C#N)C2)c(F)c1OC ZINC000886149800 646896162 /nfs/dbraw/zinc/89/61/62/646896162.db2.gz YSACWQUVGHLJFC-CMPLNLGQSA-N 0 1 278.327 2.625 20 30 CFEDMN CSc1ccc(CNCC2(F)CC2)cc1C#N ZINC000886276946 646947319 /nfs/dbraw/zinc/94/73/19/646947319.db2.gz AXPYRDRKHNPEHL-UHFFFAOYSA-N 0 1 250.342 2.872 20 30 CFEDMN C[C@H]1CC(F)(F)CC[N@H+]1C[C@H](O)CC1(C#N)CCC1 ZINC000886300752 646958996 /nfs/dbraw/zinc/95/89/96/646958996.db2.gz OVJBKIUNQXWRQN-NWDGAFQWSA-N 0 1 272.339 2.551 20 30 CFEDMN C#CC[C@@H]1CC[N@H+]([C@H](C)C(=O)N(CC)c2ccccc2)C1 ZINC000886353453 646982839 /nfs/dbraw/zinc/98/28/39/646982839.db2.gz JQPABIYNQLSHPH-HZPDHXFCSA-N 0 1 284.403 2.773 20 30 CFEDMN C#CC[C@H]1CC[N@H+](CC(=O)N(C)[C@H](C)c2ccccc2)C1 ZINC000886353287 646983050 /nfs/dbraw/zinc/98/30/50/646983050.db2.gz GBPCIOWRUQPSNH-CVEARBPZSA-N 0 1 284.403 2.551 20 30 CFEDMN C#CC[C@@H]1CC[N@@H+](Cc2nnc(-c3ccccc3)o2)C1 ZINC000886353081 646983109 /nfs/dbraw/zinc/98/31/09/646983109.db2.gz BDFUVTDLSWKEIG-CYBMUJFWSA-N 0 1 267.332 2.582 20 30 CFEDMN C#CC[C@@H]1CCN(Cc2nnc(-c3ccccc3)o2)C1 ZINC000886353081 646983113 /nfs/dbraw/zinc/98/31/13/646983113.db2.gz BDFUVTDLSWKEIG-CYBMUJFWSA-N 0 1 267.332 2.582 20 30 CFEDMN C#CC[C@@H]1CC[N@H+](Cc2nc(-c3ccc(OC)cc3)no2)C1 ZINC000886353105 646983485 /nfs/dbraw/zinc/98/34/85/646983485.db2.gz BOMUFMCELUWHNQ-CYBMUJFWSA-N 0 1 297.358 2.590 20 30 CFEDMN C#CC[C@@H]1CCN(Cc2nc(-c3ccc(OC)cc3)no2)C1 ZINC000886353105 646983487 /nfs/dbraw/zinc/98/34/87/646983487.db2.gz BOMUFMCELUWHNQ-CYBMUJFWSA-N 0 1 297.358 2.590 20 30 CFEDMN C#CC[C@@H]1CCN([C@H](C)C(=O)Nc2ccc(F)c(F)c2)C1 ZINC000886355863 646984448 /nfs/dbraw/zinc/98/44/48/646984448.db2.gz OUGVNCMJNIKGSA-VXGBXAGGSA-N 0 1 292.329 2.637 20 30 CFEDMN C#CC[C@H]1CCN(CC(=O)Nc2ccc(C)cc2C)C1 ZINC000886355079 646984550 /nfs/dbraw/zinc/98/45/50/646984550.db2.gz BXWDINPTQYXBQB-HNNXBMFYSA-N 0 1 270.376 2.587 20 30 CFEDMN CC(C)[C@H](NCc1ccc(C#N)cc1F)c1cnn(C)c1 ZINC000886524893 647028793 /nfs/dbraw/zinc/02/87/93/647028793.db2.gz SZSFASUDGGHAJI-INIZCTEOSA-N 0 1 286.354 2.918 20 30 CFEDMN CC(C)C[C@@H]1CN(C)CCN1C(=O)CCCCCC#N ZINC000886598200 647060707 /nfs/dbraw/zinc/06/07/07/647060707.db2.gz VXAYVYDEYMNYFN-OAHLLOKOSA-N 0 1 279.428 2.649 20 30 CFEDMN CC#CCN1CCC(N(C)C(=O)C2CCC=CCC2)CC1 ZINC001006418172 647082664 /nfs/dbraw/zinc/08/26/64/647082664.db2.gz CLIUTQUKUHBVHZ-UHFFFAOYSA-N 0 1 288.435 2.679 20 30 CFEDMN C#CCC1(NC(=O)Cc2n[nH]c3c2CCCC3)CCCCC1 ZINC000886656224 647092163 /nfs/dbraw/zinc/09/21/63/647092163.db2.gz XELSLHVXMAWMQK-UHFFFAOYSA-N 0 1 299.418 2.673 20 30 CFEDMN C[C@@H](c1cccc(C#N)c1)N1CC[C@](CO)(C(F)(F)F)C1 ZINC000886808530 647147726 /nfs/dbraw/zinc/14/77/26/647147726.db2.gz KWDGMFGASZUMNQ-FZMZJTMJSA-N 0 1 298.308 2.866 20 30 CFEDMN Cc1cc(C#N)ccc1CN1CC[C@](CO)(C(F)(F)F)C1 ZINC000886808764 647148256 /nfs/dbraw/zinc/14/82/56/647148256.db2.gz OZFIMSBFHLYFFU-AWEZNQCLSA-N 0 1 298.308 2.613 20 30 CFEDMN N#Cc1ccc(F)cc1CN1CC[C@@H]([C@@H]2CCCO2)C1 ZINC000886829768 647154475 /nfs/dbraw/zinc/15/44/75/647154475.db2.gz GUWQEQLFWFLZGO-CJNGLKHVSA-N 0 1 274.339 2.698 20 30 CFEDMN N#Cc1ccc(F)cc1CN1CC[C@H]([C@@H]2CCCO2)C1 ZINC000886829767 647155035 /nfs/dbraw/zinc/15/50/35/647155035.db2.gz GUWQEQLFWFLZGO-BBRMVZONSA-N 0 1 274.339 2.698 20 30 CFEDMN C[C@@H](C#N)OCCN1Cc2ccccc2OC2(CCC2)C1 ZINC000887149750 647232769 /nfs/dbraw/zinc/23/27/69/647232769.db2.gz IWWYASYIXWESFZ-AWEZNQCLSA-N 0 1 286.375 2.732 20 30 CFEDMN C[C@@H](NCc1cncc(C#N)c1)c1ccc2c(c1)OCO2 ZINC000930190200 647834195 /nfs/dbraw/zinc/83/41/95/647834195.db2.gz ROBWURVPBQLYDF-LLVKDONJSA-N 0 1 281.315 2.533 20 30 CFEDMN COc1ccccc1[C@@H](CO)N[C@@H](C)CC(C)(C)C#N ZINC000925425294 648166754 /nfs/dbraw/zinc/16/67/54/648166754.db2.gz QLCSHIGKAXXPJL-GXTWGEPZSA-N 0 1 276.380 2.647 20 30 CFEDMN C#CCSCCN[C@@H]1COCc2cccc(Cl)c21 ZINC000925451213 648172142 /nfs/dbraw/zinc/17/21/42/648172142.db2.gz AWDNADQDBQVXHY-CYBMUJFWSA-N 0 1 281.808 2.867 20 30 CFEDMN C[C@H](NCCCC#N)c1cccc(Br)n1 ZINC000926131824 648412981 /nfs/dbraw/zinc/41/29/81/648412981.db2.gz GYURFTLNOLGQNP-VIFPVBQESA-N 0 1 268.158 2.798 20 30 CFEDMN C[C@@H](CC(C)(C)C#N)NCc1ccccc1S(C)(=O)=O ZINC000926581705 648542473 /nfs/dbraw/zinc/54/24/73/648542473.db2.gz ARGWFZDLNHZMRV-LBPRGKRZSA-N 0 1 294.420 2.508 20 30 CFEDMN C=C1CCC(CN[C@H](c2nnc[nH]2)c2ccccn2)CC1 ZINC000926925858 648660834 /nfs/dbraw/zinc/66/08/34/648660834.db2.gz PECAEHOMMWDDQD-HNNXBMFYSA-N 0 1 283.379 2.625 20 30 CFEDMN Cc1ccc(CN[C@@H](C)c2ccnnc2)cc1C#N ZINC000926960124 648671036 /nfs/dbraw/zinc/67/10/36/648671036.db2.gz DQYCGLOEOXBJBZ-LBPRGKRZSA-N 0 1 252.321 2.508 20 30 CFEDMN CC(C)[C@@H](N[C@H](C)c1cc(C#N)ccn1)c1cnn(C)c1 ZINC000927067499 648695851 /nfs/dbraw/zinc/69/58/51/648695851.db2.gz RJWAYUAITQEJES-MLGOLLRUSA-N 0 1 283.379 2.735 20 30 CFEDMN C[C@@H](NC1([C@@H]2CCCCO2)CC1)c1cc(C#N)ccn1 ZINC000927159371 648731765 /nfs/dbraw/zinc/73/17/65/648731765.db2.gz NPDITRYIIZYODA-DOMZBBRYSA-N 0 1 271.364 2.706 20 30 CFEDMN C=CCN(Cc1cccs1)C[C@H]1CCC2(COC2)O1 ZINC000929142084 648988618 /nfs/dbraw/zinc/98/86/18/648988618.db2.gz XZOLMGSZTZXJQB-CYBMUJFWSA-N 0 1 279.405 2.684 20 30 CFEDMN CCCC[N@H+](Cc1ccccc1F)C[C@H](O)CC#N ZINC000929402273 649045463 /nfs/dbraw/zinc/04/54/63/649045463.db2.gz GRWFNVWZZYKQHI-CQSZACIVSA-N 0 1 264.344 2.702 20 30 CFEDMN CCCCN(Cc1ccccc1F)C[C@H](O)CC#N ZINC000929402273 649045465 /nfs/dbraw/zinc/04/54/65/649045465.db2.gz GRWFNVWZZYKQHI-CQSZACIVSA-N 0 1 264.344 2.702 20 30 CFEDMN C[C@H](O)[C@H]1CCCCN1Cc1cc(Cl)cc(C#N)c1 ZINC000929594348 649073862 /nfs/dbraw/zinc/07/38/62/649073862.db2.gz CVWPEIUCIDNMNB-XHDPSFHLSA-N 0 1 278.783 2.947 20 30 CFEDMN C=C1CC[NH+](C[C@H](C)C(=O)c2ccc([O-])cc2)CC1 ZINC000929602774 649076254 /nfs/dbraw/zinc/07/62/54/649076254.db2.gz BZGBUKTUZPLIKW-ZDUSSCGKSA-N 0 1 259.349 2.863 20 30 CFEDMN N#CC[C@@H](O)CN1CCCC[C@@H]1c1ccc(F)cc1 ZINC000929790878 649122850 /nfs/dbraw/zinc/12/28/50/649122850.db2.gz YSQWMHNVVCAQPS-HUUCEWRRSA-N 0 1 262.328 2.627 20 30 CFEDMN N#CC[C@@H](O)CN(Cc1cc(F)ccc1F)C1CCCC1 ZINC000929818885 649129935 /nfs/dbraw/zinc/12/99/35/649129935.db2.gz DJDALHOJQTXREP-OAHLLOKOSA-N 0 1 294.345 2.984 20 30 CFEDMN N#CC1(CCCCN2CC(=O)N[C@H]3CCCC[C@H]32)CCC1 ZINC000929827687 649132758 /nfs/dbraw/zinc/13/27/58/649132758.db2.gz ACXCSKQVSFMTLU-LSDHHAIUSA-N 0 1 289.423 2.594 20 30 CFEDMN CC[C@H](O)CN(Cc1ccccc1)Cc1cncc(C#N)c1 ZINC000930057618 649175102 /nfs/dbraw/zinc/17/51/02/649175102.db2.gz VECWUKXAVGMIAH-SFHVURJKSA-N 0 1 295.386 2.726 20 30 CFEDMN C#CCCCCCCN1CCN([C@@H](C#N)C(C)C)CC1 ZINC000930115656 649187269 /nfs/dbraw/zinc/18/72/69/649187269.db2.gz OELHYMUCZWSFDG-KRWDZBQOSA-N 0 1 275.440 2.736 20 30 CFEDMN C=CC[N@@H+](C[C@H](C)C(=O)c1ccc([O-])cc1)C1CC1 ZINC000930175553 649198788 /nfs/dbraw/zinc/19/87/88/649198788.db2.gz MOXSDSDIZQXYBA-LBPRGKRZSA-N 0 1 259.349 2.861 20 30 CFEDMN C=CC[N@H+](C[C@H](C)C(=O)c1ccc([O-])cc1)C1CC1 ZINC000930175553 649198789 /nfs/dbraw/zinc/19/87/89/649198789.db2.gz MOXSDSDIZQXYBA-LBPRGKRZSA-N 0 1 259.349 2.861 20 30 CFEDMN C#CCN(CC)C(=O)c1cccc2[nH]c(C(F)F)nc21 ZINC000930579733 649279009 /nfs/dbraw/zinc/27/90/09/649279009.db2.gz ILYPDGFZIWHGNN-UHFFFAOYSA-N 0 1 277.274 2.596 20 30 CFEDMN N#CC[C@@]1(O)CC[N@@H+](C[C@@H]2CCC3(CCCCCC3)O2)C1 ZINC000930819233 649330687 /nfs/dbraw/zinc/33/06/87/649330687.db2.gz UXCVYYVHYPXKSH-JKSUJKDBSA-N 0 1 292.423 2.609 20 30 CFEDMN CCSc1ccccc1C[N@H+]1CC[C@](O)(CC#N)C1 ZINC000930819713 649330881 /nfs/dbraw/zinc/33/08/81/649330881.db2.gz ZYDKQEMWRRWGCY-OAHLLOKOSA-N 0 1 276.405 2.649 20 30 CFEDMN CCSc1ccccc1CN1CC[C@](O)(CC#N)C1 ZINC000930819713 649330885 /nfs/dbraw/zinc/33/08/85/649330885.db2.gz ZYDKQEMWRRWGCY-OAHLLOKOSA-N 0 1 276.405 2.649 20 30 CFEDMN C#C[C@@H]1CCC[N@H+](C[C@@H]2CCC[C@@H](C(F)(F)F)O2)C1 ZINC000930884290 649343338 /nfs/dbraw/zinc/34/33/38/649343338.db2.gz CCPWLUJJABURQY-AGIUHOORSA-N 0 1 275.314 2.832 20 30 CFEDMN C=CCC1(NCc2nc(COC(C)C)no2)CCCC1 ZINC000931020670 649365490 /nfs/dbraw/zinc/36/54/90/649365490.db2.gz FPZBSLPUXYCYMS-UHFFFAOYSA-N 0 1 279.384 2.973 20 30 CFEDMN N#Cc1cncc(CN2CCC([C@H]3CCCCO3)CC2)c1 ZINC000931026130 649367485 /nfs/dbraw/zinc/36/74/85/649367485.db2.gz QRPJFOIUBUBEQP-QGZVFWFLSA-N 0 1 285.391 2.734 20 30 CFEDMN C[C@H]1CN(Cc2cc(Cl)cc(C#N)c2)C[C@]1(C)CO ZINC000931066402 649373533 /nfs/dbraw/zinc/37/35/33/649373533.db2.gz OYLVHRXLFBWLMJ-XHDPSFHLSA-N 0 1 278.783 2.662 20 30 CFEDMN C=C[C@@H](CC)CC(=O)NCc1n[nH]c(-c2ccccc2)n1 ZINC000931390334 649419438 /nfs/dbraw/zinc/41/94/38/649419438.db2.gz SWVQGAQFZFHDPE-LBPRGKRZSA-N 0 1 284.363 2.690 20 30 CFEDMN C=C[C@@H](CC)CC(=O)NCc1nc(-c2ccccc2)n[nH]1 ZINC000931390334 649419441 /nfs/dbraw/zinc/41/94/41/649419441.db2.gz SWVQGAQFZFHDPE-LBPRGKRZSA-N 0 1 284.363 2.690 20 30 CFEDMN C=CCC[C@@H](O)CN1CCc2nc[nH]c2[C@@H]1c1ccccc1 ZINC000931795376 649490875 /nfs/dbraw/zinc/49/08/75/649490875.db2.gz WFDQDGHLOBTVLM-QAPCUYQASA-N 0 1 297.402 2.684 20 30 CFEDMN Cc1ccc(NC(=O)NCC#CCN(C)C)c(Cl)c1C ZINC000931805140 649492672 /nfs/dbraw/zinc/49/26/72/649492672.db2.gz BPGVMCIBZNZCDA-UHFFFAOYSA-N 0 1 293.798 2.643 20 30 CFEDMN N#CCCCCNC(=O)c1cccc2nc(C(F)F)[nH]c21 ZINC000931970361 649519908 /nfs/dbraw/zinc/51/99/08/649519908.db2.gz QGXQMVJTIOSONM-UHFFFAOYSA-N 0 1 292.289 2.924 20 30 CFEDMN CC(C)(C)OC(=O)N[C@@H]1CN(CCCC#N)CC1(C)C ZINC000931989449 649521677 /nfs/dbraw/zinc/52/16/77/649521677.db2.gz ILIMAAAQHGWORH-GFCCVEGCSA-N 0 1 281.400 2.525 20 30 CFEDMN Cn1ccc([C@H]2CCCN(Cc3ccc(F)c(C#N)c3)C2)n1 ZINC000932137320 649548403 /nfs/dbraw/zinc/54/84/03/649548403.db2.gz ZNHRLPZNGPDCRY-AWEZNQCLSA-N 0 1 298.365 2.810 20 30 CFEDMN Cc1nc(CC2CCN(CC#Cc3ccccc3)CC2)no1 ZINC000932245019 649568367 /nfs/dbraw/zinc/56/83/67/649568367.db2.gz LOXDTGJPRBBBDD-UHFFFAOYSA-N 0 1 295.386 2.684 20 30 CFEDMN C=C(C)CN(CC)C(=O)CN[C@H](c1ccccn1)C1CC1 ZINC000932375132 649587168 /nfs/dbraw/zinc/58/71/68/649587168.db2.gz JZDLUDGVPSNXIM-KRWDZBQOSA-N 0 1 287.407 2.547 20 30 CFEDMN C#CCN(Cc1ccc(-c2ccccn2)nc1)C(C)C ZINC000932387677 649591398 /nfs/dbraw/zinc/59/13/98/649591398.db2.gz IDZSVOISNYDZKN-UHFFFAOYSA-N 0 1 265.360 2.987 20 30 CFEDMN C=CC1(CC(=O)NCCN2CCSCC2)CCCCC1 ZINC000932616199 649629529 /nfs/dbraw/zinc/62/95/29/649629529.db2.gz OSXDVVBTRUXIQJ-UHFFFAOYSA-N 0 1 296.480 2.678 20 30 CFEDMN CC(C)N1CCC[C@@H]1C(=O)N[C@](C)(C#N)C1CCCCC1 ZINC000932887134 649657545 /nfs/dbraw/zinc/65/75/45/649657545.db2.gz QMIRCRSURKHFNU-NVXWUHKLSA-N 0 1 291.439 2.838 20 30 CFEDMN CC[C@H](C)NC(=O)CN1CCC(c2ccc(C#N)cc2)CC1 ZINC000933614158 649706836 /nfs/dbraw/zinc/70/68/36/649706836.db2.gz KBMCRHDKKHIPEM-AWEZNQCLSA-N 0 1 299.418 2.652 20 30 CFEDMN Cc1cc(CN2CCC3(CC2)CC(=O)C=CO3)cs1 ZINC000933646157 649710080 /nfs/dbraw/zinc/71/00/80/649710080.db2.gz DGYADQPKJIPFHE-UHFFFAOYSA-N 0 1 277.389 2.894 20 30 CFEDMN C=CC[C@@H]1CCN1CC(=O)N[C@@H](C)Cc1ccccc1C ZINC000934468288 649789866 /nfs/dbraw/zinc/78/98/66/649789866.db2.gz BCPAFKUWEGNOMW-DOTOQJQBSA-N 0 1 286.419 2.693 20 30 CFEDMN C=CC[C@H]1CCN1CC(=O)N[C@H](C)Cc1ccccc1C ZINC000934468293 649789922 /nfs/dbraw/zinc/78/99/22/649789922.db2.gz BCPAFKUWEGNOMW-WBVHZDCISA-N 0 1 286.419 2.693 20 30 CFEDMN C=CC[C@@H]1CCN1CC(=O)N[C@H](C)Cc1ccccc1C ZINC000934468290 649790067 /nfs/dbraw/zinc/79/00/67/649790067.db2.gz BCPAFKUWEGNOMW-NVXWUHKLSA-N 0 1 286.419 2.693 20 30 CFEDMN C=CC[C@@H]1CCN1[C@H](C)C(=O)N[C@H]1CCCC[C@H]1C ZINC000934469979 649790275 /nfs/dbraw/zinc/79/02/75/649790275.db2.gz ACSMACALMLNVLR-TUVASFSCSA-N 0 1 264.413 2.720 20 30 CFEDMN C=CC[C@@H]1CCN1[C@@H](C)C(=O)NCCc1ccccc1C ZINC000934471160 649790631 /nfs/dbraw/zinc/79/06/31/649790631.db2.gz HRQOXFFDDMCWRU-DOTOQJQBSA-N 0 1 286.419 2.693 20 30 CFEDMN C=CC[C@@H]1CCN1CC(=O)N[C@H]1CCCc2ccccc21 ZINC000934471852 649791281 /nfs/dbraw/zinc/79/12/81/649791281.db2.gz NGKUBKLWKLIRSW-WBVHZDCISA-N 0 1 284.403 2.831 20 30 CFEDMN C=CCCCN(CC)[C@@H](C)c1nc(COC)no1 ZINC000934644504 649811062 /nfs/dbraw/zinc/81/10/62/649811062.db2.gz CGXLGQBKVKGYNF-NSHDSACASA-N 0 1 253.346 2.565 20 30 CFEDMN C=C(C)CN1CCC[C@H](NC(=O)c2ccc(F)cc2)C1 ZINC001006585920 651126380 /nfs/dbraw/zinc/12/63/80/651126380.db2.gz NRDIZFBGVYWSRV-HNNXBMFYSA-N 0 1 276.355 2.596 20 30 CFEDMN C=CCN1CCC[C@H](NC(=O)[C@@H]2C[C@H]2CC(C)(C)C)C1 ZINC001007373315 651133583 /nfs/dbraw/zinc/13/35/83/651133583.db2.gz QLFFDARDEMCJAO-SOUVJXGZSA-N 0 1 278.440 2.825 20 30 CFEDMN C=CCN1CCC[C@@H](NC(=O)c2cccc(C)c2F)C1 ZINC001007392128 651133965 /nfs/dbraw/zinc/13/39/65/651133965.db2.gz RZSMFGVZHJGYHN-CYBMUJFWSA-N 0 1 276.355 2.514 20 30 CFEDMN C=CCN1CCC[C@@H](NC(=O)C[C@H]2CCC(F)(F)C2)C1 ZINC001007460999 651135857 /nfs/dbraw/zinc/13/58/57/651135857.db2.gz VWGVHTAIHGXLHG-CHWSQXEVSA-N 0 1 286.366 2.579 20 30 CFEDMN C=CCN1CCC[C@@H](NC(=O)c2cc(Cl)ccc2F)C1 ZINC001007857707 651139801 /nfs/dbraw/zinc/13/98/01/651139801.db2.gz GZLDLWHMSPAISA-GFCCVEGCSA-N 0 1 296.773 2.859 20 30 CFEDMN C=C(C)CN1CCC[C@H](NC(=O)c2cc3ncccc3o2)C1 ZINC001007966461 651140459 /nfs/dbraw/zinc/14/04/59/651140459.db2.gz FWHBPDIOOFMBQG-ZDUSSCGKSA-N 0 1 299.374 2.598 20 30 CFEDMN C=CCN1CCC[C@@H](NC(=O)[C@H](C)c2ccsc2)C1 ZINC001008516289 651150515 /nfs/dbraw/zinc/15/05/15/651150515.db2.gz HANGHACBRWSMGZ-TZMCWYRMSA-N 0 1 278.421 2.618 20 30 CFEDMN C=CCN1CCC[C@@H](NC(=O)c2cc(F)ccc2Cl)C1 ZINC001008647005 651151418 /nfs/dbraw/zinc/15/14/18/651151418.db2.gz SMWQZFIXESWEEH-GFCCVEGCSA-N 0 1 296.773 2.859 20 30 CFEDMN C=CCN1CCC[C@H](NC(=O)C2[C@H]3CCCCCC[C@H]23)C1 ZINC001008651810 651151493 /nfs/dbraw/zinc/15/14/93/651151493.db2.gz ITCWECQVRFLJGT-JYJNAYRXSA-N 0 1 290.451 2.969 20 30 CFEDMN C=CCN1CCC[C@H](NC(=O)c2cccc3[nH]ccc32)C1 ZINC001008628651 651151694 /nfs/dbraw/zinc/15/16/94/651151694.db2.gz JVSBOSJOOIUNIM-ZDUSSCGKSA-N 0 1 283.375 2.548 20 30 CFEDMN C=C(C)CN1CCC[C@H](NC(=O)c2cc(C)c(CC)o2)C1 ZINC001009180236 651156828 /nfs/dbraw/zinc/15/68/28/651156828.db2.gz HWSOLXLGPOMDPY-AWEZNQCLSA-N 0 1 290.407 2.921 20 30 CFEDMN C=CCN1CCC[C@@H](NC(=O)[C@@H](C)c2ccccc2)C1 ZINC001009248921 651157629 /nfs/dbraw/zinc/15/76/29/651157629.db2.gz VJXCQXMKSWYZIW-GOEBONIOSA-N 0 1 272.392 2.557 20 30 CFEDMN C=CCN1CCC[C@H](NC(=O)[C@@H](C)c2ccccc2)C1 ZINC001009248924 651158165 /nfs/dbraw/zinc/15/81/65/651158165.db2.gz VJXCQXMKSWYZIW-HOCLYGCPSA-N 0 1 272.392 2.557 20 30 CFEDMN C=CCN1CCC[C@H](NC(=O)Cc2sc(C)cc2C)C1 ZINC001009355066 651159381 /nfs/dbraw/zinc/15/93/81/651159381.db2.gz AOUSIMVQLJPBEU-AWEZNQCLSA-N 0 1 292.448 2.674 20 30 CFEDMN C=CCN1CCC[C@@H](NC(=O)c2ccc(C)cc2C)C1 ZINC001009392618 651160034 /nfs/dbraw/zinc/16/00/34/651160034.db2.gz BVPQVISUAYFFBI-OAHLLOKOSA-N 0 1 272.392 2.684 20 30 CFEDMN C=CCN1CCC[C@H](NC(=O)C(C)(C)c2ccccc2)C1 ZINC001009442862 651160981 /nfs/dbraw/zinc/16/09/81/651160981.db2.gz CWYWNXIVYAVRFE-INIZCTEOSA-N 0 1 286.419 2.731 20 30 CFEDMN C=C(C)CN1CC[C@@H](NC(=O)C(F)=C2CCCC2)C1 ZINC001010547866 651177982 /nfs/dbraw/zinc/17/79/82/651177982.db2.gz SBKCOTYJKSMISU-CYBMUJFWSA-N 0 1 266.360 2.551 20 30 CFEDMN C=CCN1CC[C@@H](NC(=O)c2cccc(C(F)F)c2F)C1 ZINC001014480452 651186192 /nfs/dbraw/zinc/18/61/92/651186192.db2.gz XGWFAONLIZMGGF-SNVBAGLBSA-N 0 1 298.308 2.753 20 30 CFEDMN C=C(C)CN1CC[C@@H](NC(=O)c2csc(C)c2C)C1 ZINC001014562897 651189025 /nfs/dbraw/zinc/18/90/25/651189025.db2.gz MZJJPEXWQAMIFL-CYBMUJFWSA-N 0 1 278.421 2.745 20 30 CFEDMN C=CCN1CC[C@@H](NC(=O)[C@H]2CC[C@H](C3CCC3)CC2)C1 ZINC001014784107 651191971 /nfs/dbraw/zinc/19/19/71/651191971.db2.gz IELAGBBAMOKHLN-BRWVUGGUSA-N 0 1 290.451 2.969 20 30 CFEDMN C=C(C)CN1CC[C@H](NC(=O)c2ccc(F)c(Cl)c2)C1 ZINC001015630431 651206425 /nfs/dbraw/zinc/20/64/25/651206425.db2.gz BEWMFXWEDSRYIS-LBPRGKRZSA-N 0 1 296.773 2.859 20 30 CFEDMN C=CCN1CC[C@H](NC(=O)c2ccc(CCC)cc2)C1 ZINC001015630380 651206626 /nfs/dbraw/zinc/20/66/26/651206626.db2.gz AABAESNPOQYGJN-INIZCTEOSA-N 0 1 272.392 2.629 20 30 CFEDMN C=C(C)CN1CC[C@@H](NC(=O)c2ccc(F)c(Cl)c2)C1 ZINC001015630430 651206831 /nfs/dbraw/zinc/20/68/31/651206831.db2.gz BEWMFXWEDSRYIS-GFCCVEGCSA-N 0 1 296.773 2.859 20 30 CFEDMN C=C(C)CN1CC[C@H](NC(=O)c2csc(Cl)c2)C1 ZINC001015788659 651214115 /nfs/dbraw/zinc/21/41/15/651214115.db2.gz PNBDHLHEBZPVPG-NSHDSACASA-N 0 1 284.812 2.782 20 30 CFEDMN C=CCN1CC[C@H](NC(=O)[C@@]2(C)C[C@@H]2c2ccccc2)C1 ZINC001015823827 651215958 /nfs/dbraw/zinc/21/59/58/651215958.db2.gz AUHHWTIOSHYVGU-JZXOWHBKSA-N 0 1 284.403 2.557 20 30 CFEDMN CC#CCN1CC[C@H](NC(=O)[C@H]2CC[C@H](C(C)C)CC2)C1 ZINC001015902219 651217209 /nfs/dbraw/zinc/21/72/09/651217209.db2.gz HLZXRYJWJKIGRI-ULQDDVLXSA-N 0 1 290.451 2.663 20 30 CFEDMN C=C(C)CN1CC[C@@H](NC(=O)c2cc(C)c(CC)o2)C1 ZINC001015985324 651219550 /nfs/dbraw/zinc/21/95/50/651219550.db2.gz UWGOVBQKEWBDOJ-CYBMUJFWSA-N 0 1 276.380 2.531 20 30 CFEDMN C=CCN1CC[C@@H](NC(=O)C23CC4CC(CC(C4)C2)C3)C1 ZINC001016082108 651224400 /nfs/dbraw/zinc/22/44/00/651224400.db2.gz UGVAOCHHZXUZMG-QFQXCOSMSA-N 0 1 288.435 2.579 20 30 CFEDMN C=C(C)CN1CC[C@H](NC(=O)c2cc3[nH]ccc3s2)C1 ZINC001016106446 651225100 /nfs/dbraw/zinc/22/51/00/651225100.db2.gz YPLOCWIJJSNQKA-NSHDSACASA-N 0 1 289.404 2.610 20 30 CFEDMN C=CCN1CC[C@@H](NC(=O)C2CCC(C3CC3)CC2)C1 ZINC001016141963 651225972 /nfs/dbraw/zinc/22/59/72/651225972.db2.gz PYKYQEQHPUREAK-UYSNPLJNSA-N 0 1 276.424 2.579 20 30 CFEDMN C=CCN1CC[C@H](NC(=O)C[C@@H]2CCCCC2(C)C)C1 ZINC001016425819 651233828 /nfs/dbraw/zinc/23/38/28/651233828.db2.gz ALUHIRCVXQHZPM-GJZGRUSLSA-N 0 1 278.440 2.969 20 30 CFEDMN C=C(Cl)CN1CCC2(C[C@H]2NC(=O)[C@@H]2CC23CC3)CC1 ZINC001016848850 651242091 /nfs/dbraw/zinc/24/20/91/651242091.db2.gz ZZFXDQHOLXXAAY-QWHCGFSZSA-N 0 1 294.826 2.510 20 30 CFEDMN C=C(Cl)CN1CCC2(C[C@H]2NC(=O)[C@H]2CC23CC3)CC1 ZINC001016848847 651242112 /nfs/dbraw/zinc/24/21/12/651242112.db2.gz ZZFXDQHOLXXAAY-CHWSQXEVSA-N 0 1 294.826 2.510 20 30 CFEDMN C=CCCN1C[C@H]2CC[C@@H](C1)N2C(=O)C(F)=C(C)C ZINC001017470622 651252381 /nfs/dbraw/zinc/25/23/81/651252381.db2.gz FMWVJGMSHJHUOJ-BETUJISGSA-N 0 1 266.360 2.501 20 30 CFEDMN C=CCCN1C[C@H]2CC[C@@H](C1)N2C(=O)C(C)(C)C(C)C ZINC001017583255 651254673 /nfs/dbraw/zinc/25/46/73/651254673.db2.gz JYFSNMOVFSVWRH-GASCZTMLSA-N 0 1 278.440 2.920 20 30 CFEDMN C=C(C)CN1C[C@H]2CC[C@@H](C1)N2C(=O)C[C@@H]1CC[C@H]2C[C@H]21 ZINC001017683979 651256055 /nfs/dbraw/zinc/25/60/55/651256055.db2.gz LIDLINJMZCGLDR-SMLCLMEVSA-N 0 1 288.435 2.674 20 30 CFEDMN C=CCCN1C[C@H]2CC[C@@H](C1)N2C(=O)c1cncc(CC)c1 ZINC001017738666 651256812 /nfs/dbraw/zinc/25/68/12/651256812.db2.gz WEGOIIHNUHPFNB-CALCHBBNSA-N 0 1 299.418 2.509 20 30 CFEDMN C=CCCN1C[C@H]2CC[C@@H](C1)N2C(=O)[C@H](C)c1ccco1 ZINC001017937890 651262555 /nfs/dbraw/zinc/26/25/55/651262555.db2.gz SYVUOGXTKMJGNG-KFWWJZLASA-N 0 1 288.391 2.634 20 30 CFEDMN C=C(Cl)CN[C@H]1CCN(C(=O)c2occc2C(C)C)C1 ZINC001019279673 651282669 /nfs/dbraw/zinc/28/26/69/651282669.db2.gz MMJPKZVDANCRIH-LBPRGKRZSA-N 0 1 296.798 2.960 20 30 CFEDMN Cc1nc(N2C[C@H](C)N(C)C[C@H]2C)c(C#N)c(C)c1Cl ZINC001164629731 719156796 /nfs/dbraw/zinc/15/67/96/719156796.db2.gz CVIDWZBOYNDOEM-VHSXEESVSA-N 0 1 292.814 2.752 20 30 CFEDMN C[C@@H]1CN(c2nc(Cl)c(Cl)cc2C#N)[C@H](C)CN1C ZINC001164642448 719199968 /nfs/dbraw/zinc/19/99/68/719199968.db2.gz YOBMKNOCSAACOL-RKDXNWHRSA-N 0 1 299.205 2.789 20 30 CFEDMN C=CCC[N@@H+]1CC[C@@H]1CN(C)C(=O)c1csc(Cl)n1 ZINC001085910252 782200757 /nfs/dbraw/zinc/20/07/57/782200757.db2.gz BXGGUYHIMURRMO-SNVBAGLBSA-N 0 1 299.827 2.519 20 30 CFEDMN C=CCCN1CC[C@@H]1CN(C)C(=O)c1csc(Cl)n1 ZINC001085910252 782200761 /nfs/dbraw/zinc/20/07/61/782200761.db2.gz BXGGUYHIMURRMO-SNVBAGLBSA-N 0 1 299.827 2.519 20 30 CFEDMN C#CCCN1CC[C@@H]1CN(C)C(=O)c1ccc(Cl)cc1 ZINC001085940139 782211065 /nfs/dbraw/zinc/21/10/65/782211065.db2.gz ZQCAJPDAFAAIGV-OAHLLOKOSA-N 0 1 290.794 2.510 20 30 CFEDMN C=CCCN1CC[C@@H]1CN(C)C(=O)c1scnc1Cl ZINC001085975277 782223277 /nfs/dbraw/zinc/22/32/77/782223277.db2.gz RUTZBCVCMLDICO-SNVBAGLBSA-N 0 1 299.827 2.519 20 30 CFEDMN C#CCCN1CC[C@@H]1CN(C)C(=O)c1ccoc1C(C)C ZINC001085995801 782232584 /nfs/dbraw/zinc/23/25/84/782232584.db2.gz VMVAPXADQCORPE-CQSZACIVSA-N 0 1 288.391 2.573 20 30 CFEDMN COC(=O)c1cc(-c2cc(F)cc(F)c2O)ccc1C#N ZINC001243505388 782241531 /nfs/dbraw/zinc/24/15/31/782241531.db2.gz RUIFAIWCYZWVSN-UHFFFAOYSA-N 0 1 289.237 2.996 20 30 CFEDMN N#Cc1ccc(-c2c(F)cc(O)cc2F)nc1F ZINC001241120413 782252077 /nfs/dbraw/zinc/25/20/77/782252077.db2.gz STXGUWYIASNRFY-UHFFFAOYSA-N 0 1 250.179 2.743 20 30 CFEDMN CN1CCc2c(F)cc(-c3ccnc(C#N)c3)cc2C1 ZINC001241200176 782266706 /nfs/dbraw/zinc/26/67/06/782266706.db2.gz RTQFYPLUGVEUTQ-UHFFFAOYSA-N 0 1 267.307 2.747 20 30 CFEDMN C=CCCCN1CCO[C@H](CCNC(=O)OC(C)(C)C)C1 ZINC001209156662 770005751 /nfs/dbraw/zinc/00/57/51/770005751.db2.gz GRRSCTYFNNQKCN-CQSZACIVSA-N 0 1 298.427 2.568 20 30 CFEDMN CC#CCN1CC[C@@H](N(CC)C(=O)[C@H]2CCC(C)(C)C2)C1 ZINC001033949145 780834384 /nfs/dbraw/zinc/83/43/84/780834384.db2.gz DRUFNNNTYWYLSO-JKSUJKDBSA-N 0 1 290.451 2.759 20 30 CFEDMN CN1CCC(=Nc2nc(C(F)(F)F)ccc2C#N)CC1 ZINC001208795119 769940785 /nfs/dbraw/zinc/94/07/85/769940785.db2.gz WVWORMHAHLUIIU-UHFFFAOYSA-N 0 1 282.269 2.603 20 30 CFEDMN C=CC(C)(C)C(=O)NCCN(C)Cc1cccc(F)c1 ZINC001266309323 769949060 /nfs/dbraw/zinc/94/90/60/769949060.db2.gz UEYLXDFHPFCQFZ-UHFFFAOYSA-N 0 1 278.371 2.586 20 30 CFEDMN CC/C(C)=C/C(=O)N[C@H]1CCN(Cc2cccc(C#N)c2)C1 ZINC001266317363 769954434 /nfs/dbraw/zinc/95/44/34/769954434.db2.gz QMPJXWBPXZNUAT-ZGUWOUCSSA-N 0 1 297.402 2.605 20 30 CFEDMN C=CCOC(=O)N[C@@H]1CCCN(C[C@H](C)C(F)(F)F)C1 ZINC001208897333 769958529 /nfs/dbraw/zinc/95/85/29/769958529.db2.gz DQRJCTVDJZFHMM-WDEREUQCSA-N 0 1 294.317 2.561 20 30 CFEDMN C=C(C)CN1CC[C@@H](NC(=O)C(C)(C)CC(F)(F)F)C1 ZINC001266349693 770003223 /nfs/dbraw/zinc/00/32/23/770003223.db2.gz LCWFTMOUIPPESE-LLVKDONJSA-N 0 1 292.345 2.732 20 30 CFEDMN CC#CCN(CC)CCNC(=O)[C@@]1(C)CCC[C@@H]1CC ZINC001266398625 770086615 /nfs/dbraw/zinc/08/66/15/770086615.db2.gz BDOVZHXXYGGCMG-RDJZCZTQSA-N 0 1 278.440 2.664 20 30 CFEDMN C=CC[N@H+](CC)CCNC(=O)[C@H]1CC[C@H](CC)CC1 ZINC001266431506 770136492 /nfs/dbraw/zinc/13/64/92/770136492.db2.gz GVYQWMZWZIYQDZ-SHTZXODSSA-N 0 1 266.429 2.827 20 30 CFEDMN CC#CCN(CC)CCNC(=O)C(C)(C)CC(C)(C)C ZINC001266437780 770148570 /nfs/dbraw/zinc/14/85/70/770148570.db2.gz LTSJNTPROMYNNY-UHFFFAOYSA-N 0 1 280.456 2.910 20 30 CFEDMN C#CC[N@H+](CC[S@@](=O)C(F)(F)F)C1CCCCC1 ZINC001167273419 770195439 /nfs/dbraw/zinc/19/54/39/770195439.db2.gz GBXNHLDUPIKPKD-GOSISDBHSA-N 0 1 281.343 2.523 20 30 CFEDMN C=CCCCC(=O)NC[C@@H]1CCCN1C/C=C\Cl ZINC001266480311 770198522 /nfs/dbraw/zinc/19/85/22/770198522.db2.gz OBJVZUUBGDDDOU-XURPKSDJSA-N 0 1 270.804 2.676 20 30 CFEDMN C=CCCCN1C[C@H]2CC[C@@H](C1)N2C(=O)C1(F)CCCC1 ZINC001266489472 770204548 /nfs/dbraw/zinc/20/45/48/770204548.db2.gz GRAVBBVESRLBPZ-GASCZTMLSA-N 0 1 294.414 2.910 20 30 CFEDMN CN1CCc2c(C#N)c(Nc3cncc(C#N)c3)sc2C1 ZINC001210084261 770205665 /nfs/dbraw/zinc/20/56/65/770205665.db2.gz VJSXWZAERBQQSA-UHFFFAOYSA-N 0 1 295.371 2.618 20 30 CFEDMN CC1(C)CC=C(Nc2c(C#N)cnc3c(C#N)cnn32)CC1 ZINC001210167442 770222067 /nfs/dbraw/zinc/22/20/67/770222067.db2.gz RFDJQOKVGLGELK-UHFFFAOYSA-N 0 1 292.346 2.979 20 30 CFEDMN CC#CCN(CCNC(=O)[C@@H]1CCCC[C@H]1CC)C1CC1 ZINC001266615959 770440615 /nfs/dbraw/zinc/44/06/15/770440615.db2.gz WQRBLUXSFBOUPE-NVXWUHKLSA-N 0 1 290.451 2.807 20 30 CFEDMN COc1cnccc1Nc1ccc(Cl)c(C#N)c1 ZINC001211263111 770470830 /nfs/dbraw/zinc/47/08/30/770470830.db2.gz GOTMOAMWRCWLHL-UHFFFAOYSA-N 0 1 259.696 2.781 20 30 CFEDMN COc1cnccc1Nc1c(C)cc(C#N)cc1C ZINC001211263549 770471210 /nfs/dbraw/zinc/47/12/10/770471210.db2.gz VJOBGACHGXCGJM-UHFFFAOYSA-N 0 1 253.305 2.744 20 30 CFEDMN CC(C(=O)NCCNCc1ccccc1C#N)=C1CCCC1 ZINC001125522925 770599927 /nfs/dbraw/zinc/59/99/27/770599927.db2.gz HGMMTGSVNQNLCW-UHFFFAOYSA-N 0 1 297.402 2.655 20 30 CFEDMN C=C(C)CN1CCCC[C@H]1CNC(=O)CSCCC ZINC001266833458 770661032 /nfs/dbraw/zinc/66/10/32/770661032.db2.gz RNMIWYHTRXHNHC-AWEZNQCLSA-N 0 1 284.469 2.676 20 30 CFEDMN CC#CCN1CCCC[C@H]1CNC(=O)CC1=CCCCC1 ZINC001266837655 770663944 /nfs/dbraw/zinc/66/39/44/770663944.db2.gz ULWCWCUMLPJGEP-KRWDZBQOSA-N 0 1 288.435 2.871 20 30 CFEDMN C=CCC(C)(C)C(=O)NC[C@@H]1CCCCN1CC#CC ZINC001266856238 770682297 /nfs/dbraw/zinc/68/22/97/770682297.db2.gz MOYBHRQSXOWYIG-HNNXBMFYSA-N 0 1 276.424 2.583 20 30 CFEDMN Cn1ncc(Cl)c1/C=C\C(=O)c1ccc(O)c(F)c1 ZINC000588534750 770949580 /nfs/dbraw/zinc/94/95/80/770949580.db2.gz GOKUSCGOGYUKQU-HYXAFXHYSA-N 0 1 280.686 2.814 20 30 CFEDMN COc1ccc2nc(SCCO[C@H](C)C#N)[nH]c2c1 ZINC000388694889 773202288 /nfs/dbraw/zinc/20/22/88/773202288.db2.gz SNZNEZBFRLAZQN-SECBINFHSA-N 0 1 277.349 2.592 20 30 CFEDMN CC#CCN(CC)CCNC(=O)C[C@H](C)CC(C)C ZINC001267254426 775107236 /nfs/dbraw/zinc/10/72/36/775107236.db2.gz PEBUUACCBGAKPP-OAHLLOKOSA-N 0 1 266.429 2.520 20 30 CFEDMN C=C1O[C@H](CC)C(=O)C1OCc1nc(C)c(C)nc1C ZINC001224148883 775113345 /nfs/dbraw/zinc/11/33/45/775113345.db2.gz LZOJMFQISAQVAS-CYBMUJFWSA-N 0 1 276.336 2.528 20 30 CFEDMN C/C=C(/C)C(=O)NC[C@@H]1CCCN1Cc1ccc(C#N)cc1 ZINC001267264755 775121463 /nfs/dbraw/zinc/12/14/63/775121463.db2.gz WFCBNKNCRASUGJ-YQMISUSPSA-N 0 1 297.402 2.605 20 30 CFEDMN C=C(C)CN1CC[C@H]1CNC(=O)[C@@H]1C[C@H]1CC(C)(C)C ZINC001038269831 775172661 /nfs/dbraw/zinc/17/26/61/775172661.db2.gz RRPMVYQSEPOKQE-SOUVJXGZSA-N 0 1 278.440 2.825 20 30 CFEDMN CC#CCN(CCNC(=O)C(C)(C)c1ccccc1)C1CC1 ZINC001267337125 775221978 /nfs/dbraw/zinc/22/19/78/775221978.db2.gz IBZDDTQXKHPUAP-UHFFFAOYSA-N 0 1 298.430 2.568 20 30 CFEDMN C#CCC1(C(=O)NC[C@H]2CC[N@@H+]2CCCC)CCCCC1 ZINC001276985632 775228161 /nfs/dbraw/zinc/22/81/61/775228161.db2.gz FWSQPEUPRBJKRB-MRXNPFEDSA-N 0 1 290.451 2.951 20 30 CFEDMN C=C1O[C@H](CC)C(=O)C1OCCCC(=O)OC(C)(C)C ZINC001224630513 775230647 /nfs/dbraw/zinc/23/06/47/775230647.db2.gz WUUJACZRXXPYSN-LLVKDONJSA-N 0 1 284.352 2.734 20 30 CFEDMN CC#CCN[C@@H](CNC(=O)c1ccoc1C)c1ccccc1 ZINC001267350965 775240616 /nfs/dbraw/zinc/24/06/16/775240616.db2.gz MEWRAUCECVZNPM-KRWDZBQOSA-N 0 1 296.370 2.672 20 30 CFEDMN C#CCN[C@@H](CNC(=O)C[C@H](C)CC)c1ccccc1 ZINC001267358135 775245421 /nfs/dbraw/zinc/24/54/21/775245421.db2.gz XFLWVGQHFSXLMG-ZBFHGGJFSA-N 0 1 272.392 2.503 20 30 CFEDMN C=C1O[C@H](C)C(=O)C1OCCCCC(=O)OC(C)(C)C ZINC001224878787 775298299 /nfs/dbraw/zinc/29/82/99/775298299.db2.gz SHBRHNMICYAVQG-SNVBAGLBSA-N 0 1 284.352 2.734 20 30 CFEDMN C=C1O[C@@H](C)C(=O)C1OCCCCO[C@@H]1CCCCO1 ZINC001224908791 775305466 /nfs/dbraw/zinc/30/54/66/775305466.db2.gz QJDQDUMTPJMXKL-WCQYABFASA-N 0 1 284.352 2.546 20 30 CFEDMN CN(CCNCC#Cc1ccccc1)C(=O)C1(C)CCCC1 ZINC001267410041 775312653 /nfs/dbraw/zinc/31/26/53/775312653.db2.gz KIXNVWXGQBRURV-UHFFFAOYSA-N 0 1 298.430 2.666 20 30 CFEDMN C=CCN1CC[C@@H](N(CCC)C(=O)C[C@H](C)SC)C1 ZINC001267453282 775330254 /nfs/dbraw/zinc/33/02/54/775330254.db2.gz AVRLJPWOADAWPF-UONOGXRCSA-N 0 1 284.469 2.627 20 30 CFEDMN C=CCN1CC[C@H](N(CCC)C(=O)[C@H](CC)SC)C1 ZINC001267453320 775331078 /nfs/dbraw/zinc/33/10/78/775331078.db2.gz BREPSEVLTPSGAP-KBPBESRZSA-N 0 1 284.469 2.627 20 30 CFEDMN C=C1O[C@@H](CC)C(=O)C1OC[C@@H](C)NC(=O)OC(C)(C)C ZINC001225159811 775357072 /nfs/dbraw/zinc/35/70/72/775357072.db2.gz UWCXHNOPFAKPDC-KOLCDFICSA-N 0 1 299.367 2.526 20 30 CFEDMN N#Cc1ccccc1O[C@H]1CC[C@H](N2CCOCC2)CC1 ZINC001225196973 775363153 /nfs/dbraw/zinc/36/31/53/775363153.db2.gz CKYQVAMIHDMSJK-WKILWMFISA-N 0 1 286.375 2.580 20 30 CFEDMN C=CCN1CC[C@H](N(CCC)C(=O)[C@@H](C)C(C)C)C1 ZINC001267481623 775380174 /nfs/dbraw/zinc/38/01/74/775380174.db2.gz JNMDILDHHLVCHU-GJZGRUSLSA-N 0 1 266.429 2.777 20 30 CFEDMN CC#CCN[C@H](CNC(=O)C(C)(C)C1CC1)c1ccccc1 ZINC001267519573 775415458 /nfs/dbraw/zinc/41/54/58/775415458.db2.gz KCVQGEIYRNKXDM-QGZVFWFLSA-N 0 1 298.430 2.893 20 30 CFEDMN CCCC(=O)N1CCCC[C@@H]1CNCc1ccccc1C#N ZINC001024846253 775437276 /nfs/dbraw/zinc/43/72/76/775437276.db2.gz SGZLPBCPHHWRAS-QGZVFWFLSA-N 0 1 299.418 2.829 20 30 CFEDMN C=CCN1CC[C@@H](N(CCC)C(=O)Cc2occc2C)C1 ZINC001267545843 775454991 /nfs/dbraw/zinc/45/49/91/775454991.db2.gz FLBBQTUUZTVBQZ-OAHLLOKOSA-N 0 1 290.407 2.629 20 30 CFEDMN C=C[C@](C)(CC)C(=O)N(C)C[C@H](C)NCc1ccccn1 ZINC001283664171 775489087 /nfs/dbraw/zinc/48/90/87/775489087.db2.gz VHVYXIUDBCTVQA-WMLDXEAASA-N 0 1 289.423 2.620 20 30 CFEDMN CCC(C)(C)c1ccccc1O[C@H]1CNC[C@@H]1C#N ZINC001218200250 775497630 /nfs/dbraw/zinc/49/76/30/775497630.db2.gz FONWJOQRDXYUEU-WFASDCNBSA-N 0 1 258.365 2.865 20 30 CFEDMN C=C1O[C@@H](C)C(=O)C1Oc1ccc(CCC(C)=O)cc1 ZINC001225695408 775562668 /nfs/dbraw/zinc/56/26/68/775562668.db2.gz DTMUADDSBPKPCT-NSHDSACASA-N 0 1 274.316 2.806 20 30 CFEDMN C=C1O[C@H](C)C(=O)C1Oc1ccc(C(C)=O)c(F)c1 ZINC001225965299 775650587 /nfs/dbraw/zinc/65/05/87/775650587.db2.gz AVLBJUFPFLAHOA-MRVPVSSYSA-N 0 1 264.252 2.626 20 30 CFEDMN C=CCN1CCC[C@@H](NC(=O)CCO[C@H](C)CC(C)C)C1 ZINC001267614130 775677014 /nfs/dbraw/zinc/67/70/14/775677014.db2.gz BUCYLRRBIXVRGC-HZPDHXFCSA-N 0 1 296.455 2.594 20 30 CFEDMN C=C(C)CCN1CC(NC(=O)C[C@@H](C)c2ccco2)C1 ZINC001267667359 775763883 /nfs/dbraw/zinc/76/38/83/775763883.db2.gz UTCMTJUEQDFLOL-CYBMUJFWSA-N 0 1 276.380 2.540 20 30 CFEDMN C=CCCC(=O)NCC1CN(Cc2cccc(CC)c2)C1 ZINC001267677237 775770840 /nfs/dbraw/zinc/77/08/40/775770840.db2.gz YWDGQTWKMIZNQZ-UHFFFAOYSA-N 0 1 286.419 2.763 20 30 CFEDMN N#CC[C@H](Oc1n[nH]c2ncccc12)c1ccccc1 ZINC001226304110 775774972 /nfs/dbraw/zinc/77/49/72/775774972.db2.gz ZWXJKCUAKUTTLK-ZDUSSCGKSA-N 0 1 264.288 2.992 20 30 CFEDMN C=C(C)CN1CC(CNC(=O)C2(Cc3ccccc3)CC2)C1 ZINC001267682741 775775038 /nfs/dbraw/zinc/77/50/38/775775038.db2.gz MELHZADATLKEKL-UHFFFAOYSA-N 0 1 298.430 2.633 20 30 CFEDMN C=CCOc1ccccc1[C@@H](C)Oc1nccc(=O)[nH]1 ZINC001226326754 775779608 /nfs/dbraw/zinc/77/96/08/775779608.db2.gz NIWUYKCKVLGGFP-LLVKDONJSA-N 0 1 272.304 2.887 20 30 CFEDMN C=C(C)CN1CC(CNC(=O)C[C@H]2CCc3ccccc32)C1 ZINC001267694297 775784470 /nfs/dbraw/zinc/78/44/70/775784470.db2.gz ANHVRYNOUDMIST-QGZVFWFLSA-N 0 1 298.430 2.731 20 30 CFEDMN CC(C)c1ccc(C#N)c(O[C@@H]2CN3CCC2CC3)n1 ZINC001226357340 775789590 /nfs/dbraw/zinc/78/95/90/775789590.db2.gz ZUFLVSVKXKJPBZ-OAHLLOKOSA-N 0 1 271.364 2.550 20 30 CFEDMN C=CCCCC(=O)N1C[C@@H]2C[C@H]1CN2CCCCCF ZINC001267712742 775801399 /nfs/dbraw/zinc/80/13/99/775801399.db2.gz XTMNGRKWWWOVHN-GJZGRUSLSA-N 0 1 282.403 2.768 20 30 CFEDMN C#C[C@H](Oc1[nH]c(=O)nc2ccc(F)cc21)C(C)C ZINC001226407575 775809514 /nfs/dbraw/zinc/80/95/14/775809514.db2.gz UNALQOQUILOOFE-LBPRGKRZSA-N 0 1 260.268 2.511 20 30 CFEDMN CN1CCC[C@@H](Oc2nc(C(C)(C)C)ccc2C#N)C1 ZINC001226546712 775868572 /nfs/dbraw/zinc/86/85/72/775868572.db2.gz NWXPANAQOVGYDS-CYBMUJFWSA-N 0 1 273.380 2.724 20 30 CFEDMN C=CC[C@H](C=C)Oc1[nH]c(=O)nc2nc(Cl)ccc21 ZINC001226554777 775871879 /nfs/dbraw/zinc/87/18/79/775871879.db2.gz YANOGHAVTFUNLN-QMMMGPOBSA-N 0 1 277.711 2.893 20 30 CFEDMN C#CCN1CC[C@@H](N(C)C(=O)[C@H](C)CC2CCCCC2)C1 ZINC001267776148 775919073 /nfs/dbraw/zinc/91/90/73/775919073.db2.gz FXQBDSWZFVARDI-NVXWUHKLSA-N 0 1 290.451 2.759 20 30 CFEDMN C=CC[N@@H+]1CC[C@H](N(CC)C(=O)[C@H](CC)CC(F)F)C1 ZINC001267785559 775929835 /nfs/dbraw/zinc/92/98/35/775929835.db2.gz GDXZKNPRWPILGW-OLZOCXBDSA-N 0 1 288.382 2.777 20 30 CFEDMN C=CCN1CC[C@H](N(CC)C(=O)[C@H](CC)CC(F)F)C1 ZINC001267785559 775929839 /nfs/dbraw/zinc/92/98/39/775929839.db2.gz GDXZKNPRWPILGW-OLZOCXBDSA-N 0 1 288.382 2.777 20 30 CFEDMN C#C[C@@H](Oc1nc2ccc(F)cc2[nH]1)c1ccncc1 ZINC001226705064 775930770 /nfs/dbraw/zinc/93/07/70/775930770.db2.gz RSXSCSPORMQDHM-CQSZACIVSA-N 0 1 267.263 2.850 20 30 CFEDMN C=CCC1(NS(=O)(=O)c2ccccc2O)CCCC1 ZINC000690815540 775947298 /nfs/dbraw/zinc/94/72/98/775947298.db2.gz RMKGMRWFTXDKNL-UHFFFAOYSA-N 0 1 281.377 2.559 20 30 CFEDMN C=CCCC(=O)N[C@@H]1CCCN(Cc2ccc(C#N)cc2)C1 ZINC001267914447 776038015 /nfs/dbraw/zinc/03/80/15/776038015.db2.gz SQHSZCVWYGALCU-QGZVFWFLSA-N 0 1 297.402 2.605 20 30 CFEDMN C=C(Cl)CNCc1ccc(CNC(=O)CC)cc1 ZINC001267931853 776060972 /nfs/dbraw/zinc/06/09/72/776060972.db2.gz HHLRDGCDLJFMRA-UHFFFAOYSA-N 0 1 266.772 2.555 20 30 CFEDMN C=CCc1c([O-])ccc(C(C)=O)c1O[C@H]1CC[N@@H+](CC)C1 ZINC001227120878 776107020 /nfs/dbraw/zinc/10/70/20/776107020.db2.gz VQZLVFINVWFXJE-ZDUSSCGKSA-N 0 1 289.375 2.796 20 30 CFEDMN C=CCc1c([O-])ccc(C(C)=O)c1O[C@H]1CC[N@H+](CC)C1 ZINC001227120878 776107029 /nfs/dbraw/zinc/10/70/29/776107029.db2.gz VQZLVFINVWFXJE-ZDUSSCGKSA-N 0 1 289.375 2.796 20 30 CFEDMN C=C(C)C[C@@H](Oc1[nH]c(=O)nc2[nH]ccc21)C(=C)C ZINC001227272605 776166365 /nfs/dbraw/zinc/16/63/65/776166365.db2.gz DRQCJFSKPWVEOU-LLVKDONJSA-N 0 1 259.309 2.953 20 30 CFEDMN C#C[C@@H](CCC)Oc1[nH]c(=O)nc2ccc(C)cc21 ZINC001227349432 776181970 /nfs/dbraw/zinc/18/19/70/776181970.db2.gz GXQVDGLLBVEWQH-NSHDSACASA-N 0 1 256.305 2.825 20 30 CFEDMN C=C[C@]1(C)CC[C@H](Oc2ncnc3nc[nH]c32)C(C)(C)O1 ZINC001227534211 776222737 /nfs/dbraw/zinc/22/27/37/776222737.db2.gz LHNFENFVIBNDMX-ZUZCIYMTSA-N 0 1 288.351 2.634 20 30 CFEDMN C#C[C@@H](Oc1ncnc2nc[nH]c21)[C@@H](CC)CCCC ZINC001227532605 776223255 /nfs/dbraw/zinc/22/32/55/776223255.db2.gz ZESIQMIUFKSDFI-NWDGAFQWSA-N 0 1 272.352 2.950 20 30 CFEDMN C=CC(C)(C)CC(=O)NC1CCN(C/C=C\Cl)CC1 ZINC001227571174 776232654 /nfs/dbraw/zinc/23/26/54/776232654.db2.gz XIHXECTWRAJXIK-YVMONPNESA-N 0 1 284.831 2.922 20 30 CFEDMN C#C[C@H](CCCCC)Oc1nc(=O)[nH]c2c1CO[C@@H]2C ZINC001227709833 776265981 /nfs/dbraw/zinc/26/59/81/776265981.db2.gz HDCSOEYDCZWEHK-GHMZBOCLSA-N 0 1 276.336 2.734 20 30 CFEDMN Cc1nc(O[C@@H]2CN3CCC2CC3)c(C#N)c(C)c1Cl ZINC001227828855 776302493 /nfs/dbraw/zinc/30/24/93/776302493.db2.gz YIZBUULYDSILNS-CYBMUJFWSA-N 0 1 291.782 2.697 20 30 CFEDMN CC(C)(C#N)CCN1CCO[C@H](C(F)(F)F)CC1 ZINC000686835755 776343220 /nfs/dbraw/zinc/34/32/20/776343220.db2.gz XTDGVRYPPDFAIO-JTQLQIEISA-N 0 1 264.291 2.579 20 30 CFEDMN C=C1O[C@H](CC)C(=O)C1Oc1cc(F)c(C#N)c(F)c1 ZINC001228223329 776426886 /nfs/dbraw/zinc/42/68/86/776426886.db2.gz JGKRIOMPJRSKKK-GFCCVEGCSA-N 0 1 279.242 2.825 20 30 CFEDMN C=C(C)CC[N@H+]1CCC[C@H]1CNC(=O)c1ccccc1O ZINC001027760853 776444464 /nfs/dbraw/zinc/44/44/64/776444464.db2.gz BAPBURJIQFXAQT-AWEZNQCLSA-N 0 1 288.391 2.553 20 30 CFEDMN C=CCc1cc(OC)c(O[C@H]2CC[N@@H+](C)C2)c(OC)c1 ZINC001228423364 776487014 /nfs/dbraw/zinc/48/70/14/776487014.db2.gz IGRIBUBZGULTPE-ZDUSSCGKSA-N 0 1 277.364 2.515 20 30 CFEDMN C=CCc1cc(OC)c(O[C@H]2CCN(C)C2)c(OC)c1 ZINC001228423364 776487020 /nfs/dbraw/zinc/48/70/20/776487020.db2.gz IGRIBUBZGULTPE-ZDUSSCGKSA-N 0 1 277.364 2.515 20 30 CFEDMN C[C@@H]1CC[C@@H](NCC(C)(C)C#N)CN1C(=O)OC(C)(C)C ZINC000399021244 776502236 /nfs/dbraw/zinc/50/22/36/776502236.db2.gz HEUWVBXAZIWNNK-CHWSQXEVSA-N 0 1 295.427 2.914 20 30 CFEDMN CC#CCN1CCC[C@@H]1CNC(=O)c1cscc1Cl ZINC001027953767 776524333 /nfs/dbraw/zinc/52/43/33/776524333.db2.gz TZIIKUNBLKWDIR-LLVKDONJSA-N 0 1 296.823 2.619 20 30 CFEDMN C=C1O[C@@H](CC)C(=O)C1Oc1cc(Cl)cnc1F ZINC001228573227 776525991 /nfs/dbraw/zinc/52/59/91/776525991.db2.gz RGNYXXOHTWKDDK-QMMMGPOBSA-N 0 1 271.675 2.862 20 30 CFEDMN C=C(C)C(C)(C)C(=O)NC1CCN(C[C@H](F)CC)CC1 ZINC001228589269 776531899 /nfs/dbraw/zinc/53/18/99/776531899.db2.gz QFCFOMNTTKMMRP-CYBMUJFWSA-N 0 1 284.419 2.917 20 30 CFEDMN C=C(Cl)CNC[C@H](C)N(C)C(=O)C[C@@H]1CC=CCC1 ZINC001268079027 776543819 /nfs/dbraw/zinc/54/38/19/776543819.db2.gz NSAYQKITHPGNIU-UONOGXRCSA-N 0 1 284.831 2.922 20 30 CFEDMN N#CC[C@H](Oc1ccc2[nH]nnc2c1)c1ccccc1 ZINC001228663907 776557618 /nfs/dbraw/zinc/55/76/18/776557618.db2.gz IBOLDZZXQLWRNQ-HNNXBMFYSA-N 0 1 264.288 2.992 20 30 CFEDMN C#CCN1CCC[C@@H]1CNC(=O)c1cc(C)ccc1C1CC1 ZINC001028049765 776571628 /nfs/dbraw/zinc/57/16/28/776571628.db2.gz JZXSLUCUGJCPDG-MRXNPFEDSA-N 0 1 296.414 2.700 20 30 CFEDMN CC#CCCCC(=O)NC1CCN(C[C@H](F)CC)CC1 ZINC001228770132 776604251 /nfs/dbraw/zinc/60/42/51/776604251.db2.gz DVAVBMGZDKBJTB-CQSZACIVSA-N 0 1 282.403 2.509 20 30 CFEDMN C=CCN1CCC[C@@H]1CNC(=O)c1ccoc1C1CC1 ZINC001028096719 776615857 /nfs/dbraw/zinc/61/58/57/776615857.db2.gz GOZBCZMYANPVFX-CYBMUJFWSA-N 0 1 274.364 2.537 20 30 CFEDMN C=C(C)C[C@@H](C)C(=O)NC1CCN(C/C=C/Cl)CC1 ZINC001228810554 776621228 /nfs/dbraw/zinc/62/12/28/776621228.db2.gz WXXDNCUQMLWHRL-WXJAXGNASA-N 0 1 284.831 2.922 20 30 CFEDMN C=C(C)C[C@H](C)C(=O)NC1CCN(C/C=C\Cl)CC1 ZINC001228810551 776621830 /nfs/dbraw/zinc/62/18/30/776621830.db2.gz WXXDNCUQMLWHRL-IRBQFCFKSA-N 0 1 284.831 2.922 20 30 CFEDMN C#CC[C@H](C)Oc1nc(C(F)(F)F)cc(O)c1[N+](=O)[O-] ZINC001228860259 776637227 /nfs/dbraw/zinc/63/72/27/776637227.db2.gz RZOWFRQPIHXLCB-LURJTMIESA-N 0 1 290.197 2.505 20 30 CFEDMN CC#CCN1CCC[C@H]1CNC(=O)c1ccsc1Cl ZINC001028184599 776686068 /nfs/dbraw/zinc/68/60/68/776686068.db2.gz MYZUJIAKTPVGDH-NSHDSACASA-N 0 1 296.823 2.619 20 30 CFEDMN CC#CCN(C)CCN(C)C(=O)[C@H](c1ccccc1)C1CC1 ZINC001268242740 776718935 /nfs/dbraw/zinc/71/89/35/776718935.db2.gz BVPZUHAZLUZVNW-GOSISDBHSA-N 0 1 298.430 2.594 20 30 CFEDMN C=C[C@@H](CCCCC)Oc1[nH]c(=O)[nH]c(=O)c1F ZINC001229119610 776726028 /nfs/dbraw/zinc/72/60/28/776726028.db2.gz LABQYMJBTFJPFX-QMMMGPOBSA-N 0 1 256.277 2.541 20 30 CFEDMN C=CCCC(=O)N1CC[C@H]2[C@@H](CCN2CC(=C)Cl)C1 ZINC001268262844 776728346 /nfs/dbraw/zinc/72/83/46/776728346.db2.gz MVYNMLZMMREMPW-KBPBESRZSA-N 0 1 282.815 2.628 20 30 CFEDMN CCC#C[C@@H](C)Oc1[nH]c(=O)nc2cc(OC)ccc21 ZINC001229137176 776730247 /nfs/dbraw/zinc/73/02/47/776730247.db2.gz HIZUIGLLFKCULU-SNVBAGLBSA-N 0 1 272.304 2.525 20 30 CFEDMN CC#C[C@H](CC)Oc1[nH]c(=O)nc2cc(OC)ccc21 ZINC001229140270 776732148 /nfs/dbraw/zinc/73/21/48/776732148.db2.gz ZFBGSCQFZIEBRR-JTQLQIEISA-N 0 1 272.304 2.525 20 30 CFEDMN C=CC[C@H](C=C)Oc1[nH]c(=O)nc2cc(OC)ccc21 ZINC001229139965 776732603 /nfs/dbraw/zinc/73/26/03/776732603.db2.gz POVITHXDKNIKHC-JTQLQIEISA-N 0 1 272.304 2.854 20 30 CFEDMN C#C[C@@H](C)Oc1ccc2c(c1)C(=O)c1ccc(O)cc1C2=O ZINC001229189845 776747948 /nfs/dbraw/zinc/74/79/48/776747948.db2.gz DEVOXWCHADKXDU-SNVBAGLBSA-N 0 1 292.290 2.568 20 30 CFEDMN C#CCN1CCC[C@H]1CNC(=O)c1cccc(C2CCC2)c1 ZINC001028258583 776765381 /nfs/dbraw/zinc/76/53/81/776765381.db2.gz UOPJFSKZHBMCQT-SFHVURJKSA-N 0 1 296.414 2.782 20 30 CFEDMN C=CCN1CCC[C@H]1CNC(=O)c1cc(CC)c(CC)o1 ZINC001028267354 776775875 /nfs/dbraw/zinc/77/58/75/776775875.db2.gz IHLUAGKIEQEMSB-AWEZNQCLSA-N 0 1 290.407 2.785 20 30 CFEDMN CC#CCN1CCC[C@@H]1CNC(=O)c1ccc(Cl)cc1 ZINC001028276316 776788042 /nfs/dbraw/zinc/78/80/42/776788042.db2.gz JGUNSNRXVVZTKR-OAHLLOKOSA-N 0 1 290.794 2.558 20 30 CFEDMN C=CC[C@H](CCCC)Oc1nc(C)[nH]c(=O)c1[N+](=O)[O-] ZINC001229378794 776795601 /nfs/dbraw/zinc/79/56/01/776795601.db2.gz NHJODCOEKGKRCG-SNVBAGLBSA-N 0 1 281.312 2.913 20 30 CFEDMN CCC(=O)N(CC)CCNCC#Cc1ccccc1Cl ZINC001268427984 776803454 /nfs/dbraw/zinc/80/34/54/776803454.db2.gz BIESAONODHKMJP-UHFFFAOYSA-N 0 1 292.810 2.540 20 30 CFEDMN CCC(=O)N(CC)CCNCC#Cc1ccc(Cl)cc1 ZINC001268428606 776803554 /nfs/dbraw/zinc/80/35/54/776803554.db2.gz HHUKHBWJPPCHFM-UHFFFAOYSA-N 0 1 292.810 2.540 20 30 CFEDMN Cc1nc2[nH]cnc2c(O[C@@H](C)c2ccccc2C#N)n1 ZINC001229438434 776810354 /nfs/dbraw/zinc/81/03/54/776810354.db2.gz LEORXOKWNWAQOE-VIFPVBQESA-N 0 1 279.303 2.673 20 30 CFEDMN CC#CCN1CCC[C@H]1CNC(=O)c1cc(C)ccc1C ZINC001028285447 776821530 /nfs/dbraw/zinc/82/15/30/776821530.db2.gz YOIHIKZQWGIZCU-INIZCTEOSA-N 0 1 284.403 2.521 20 30 CFEDMN C=CC[N@@H+]1CCC[C@H]1CNC(=O)c1cc(C)cc(C)c1 ZINC001028286632 776824937 /nfs/dbraw/zinc/82/49/37/776824937.db2.gz XDIWEKZLTUYIRI-INIZCTEOSA-N 0 1 272.392 2.684 20 30 CFEDMN C#CCN1CCC[C@H]1CNC(=O)c1ccccc1C1CCC1 ZINC001028290755 776830502 /nfs/dbraw/zinc/83/05/02/776830502.db2.gz WXFCMNNAVOZQGA-INIZCTEOSA-N 0 1 296.414 2.782 20 30 CFEDMN C=CCC[C@@H](C)N1CC(NC(=O)c2cccc3cc[nH]c32)C1 ZINC001268453561 776838306 /nfs/dbraw/zinc/83/83/06/776838306.db2.gz JIMXIMQUSQRXMY-CYBMUJFWSA-N 0 1 297.402 2.937 20 30 CFEDMN C=C(C)C(C)(C)C(=O)N(CC)CCNCc1conc1C ZINC001268469969 776857318 /nfs/dbraw/zinc/85/73/18/776857318.db2.gz PWUJXQOWNBJIHG-UHFFFAOYSA-N 0 1 293.411 2.523 20 30 CFEDMN C=CC[N@H+]1CCC[C@H]1CNC(=O)[C@H]1CC2CCC1CC2 ZINC001028334526 776859865 /nfs/dbraw/zinc/85/98/65/776859865.db2.gz CFGFABSJEMPZJI-CKUJCDMFSA-N 0 1 276.424 2.579 20 30 CFEDMN C=CC[N@@H+]1CCC[C@@H]1CNC(=O)c1ccoc1C(C)C ZINC001028341682 776866071 /nfs/dbraw/zinc/86/60/71/776866071.db2.gz QUCLSZOBDGZVGD-CYBMUJFWSA-N 0 1 276.380 2.783 20 30 CFEDMN C=CCN1CCC[C@@H]1CNC(=O)c1ccoc1C(C)C ZINC001028341682 776866075 /nfs/dbraw/zinc/86/60/75/776866075.db2.gz QUCLSZOBDGZVGD-CYBMUJFWSA-N 0 1 276.380 2.783 20 30 CFEDMN C#C[C@@H](CC(C)C)Oc1nc2ccc(OC)cc2[nH]1 ZINC001229730148 776882248 /nfs/dbraw/zinc/88/22/48/776882248.db2.gz PGMCDAXYMNHQAB-NSHDSACASA-N 0 1 258.321 2.998 20 30 CFEDMN CCCCCCCNC(=S)N1CCCC2(CN(C)C2)C1 ZINC001277428304 776910654 /nfs/dbraw/zinc/91/06/54/776910654.db2.gz RYWLLBXHJIPQAC-UHFFFAOYSA-N 0 1 297.512 2.859 20 30 CFEDMN CC#CCN1CCC(NC(=O)[C@H](CC)CC(C)C)CC1 ZINC001229967515 776926950 /nfs/dbraw/zinc/92/69/50/776926950.db2.gz FVYCIWCZANORFF-OAHLLOKOSA-N 0 1 278.440 2.663 20 30 CFEDMN N#C[C@H](Oc1nc[nH]c(=O)c1Cl)c1ccccc1F ZINC001230018788 776941142 /nfs/dbraw/zinc/94/11/42/776941142.db2.gz UERYSCAAYKSDKI-VIFPVBQESA-N 0 1 279.658 2.618 20 30 CFEDMN CC#CCN1CCC(NC(=O)C2(CC)CCCCC2)CC1 ZINC001230342722 776982647 /nfs/dbraw/zinc/98/26/47/776982647.db2.gz VMBYBOSDGVYDFZ-UHFFFAOYSA-N 0 1 290.451 2.951 20 30 CFEDMN C#C[C@@H](CCC)Oc1cc2[nH]ncc2cc1[N+](=O)[O-] ZINC001230600480 777024209 /nfs/dbraw/zinc/02/42/09/777024209.db2.gz FDIFLBWJPXSOBP-JTQLQIEISA-N 0 1 259.265 2.652 20 30 CFEDMN C#CCN(C)C[C@H](C)NC(=O)C[C@H]1CCCc2ccccc21 ZINC001268753359 777046201 /nfs/dbraw/zinc/04/62/01/777046201.db2.gz UFBQRIZSXMYPAH-DOTOQJQBSA-N 0 1 298.430 2.566 20 30 CFEDMN C=CC[N@H+](C)C[C@@H](C)NC(=O)c1cccc(Cl)c1 ZINC001268754980 777046267 /nfs/dbraw/zinc/04/62/67/777046267.db2.gz NWOGVMYFRYRYGD-LLVKDONJSA-N 0 1 266.772 2.576 20 30 CFEDMN C=C1CC(C)(C(=O)NCC2CN(Cc3ccsc3)C2)C1 ZINC001268878876 777069587 /nfs/dbraw/zinc/06/95/87/777069587.db2.gz FTZMTGVAQYDTDT-UHFFFAOYSA-N 0 1 290.432 2.652 20 30 CFEDMN C#CCCN1CC[C@H]1CN(C)C(=O)[C@H](CC)CCCC ZINC001230844370 777074006 /nfs/dbraw/zinc/07/40/06/777074006.db2.gz KFFMSPOWBCGDPU-CVEARBPZSA-N 0 1 278.440 2.759 20 30 CFEDMN COc1ccc2nc(=O)[nH]c(OC3CCC(C#N)CC3)c2c1 ZINC001230853660 777075849 /nfs/dbraw/zinc/07/58/49/777075849.db2.gz LIDDFXWTKNHWBW-UHFFFAOYSA-N 0 1 299.330 2.805 20 30 CFEDMN CC#CC[C@@H](CC)Oc1[nH]c(=O)nc2ccc(OC)cc21 ZINC001230861990 777076424 /nfs/dbraw/zinc/07/64/24/777076424.db2.gz IGIQMUSGRRCJSU-LLVKDONJSA-N 0 1 286.331 2.915 20 30 CFEDMN C#C[C@H](CC(C)C)Oc1[nH]c(=O)nc2cc(F)ccc21 ZINC001230883071 777081302 /nfs/dbraw/zinc/08/13/02/777081302.db2.gz IWTKBBWAMGSYIE-LLVKDONJSA-N 0 1 274.295 2.901 20 30 CFEDMN C#CC[C@H](CC)Oc1[nH]c(=O)nc2cc(C)ccc21 ZINC001230888405 777082816 /nfs/dbraw/zinc/08/28/16/777082816.db2.gz MFNYVBCDCGEMMB-NSHDSACASA-N 0 1 256.305 2.825 20 30 CFEDMN C#C[C@H](Oc1nncc2n[nH]cc21)[C@H](CC)CCCC ZINC001230901660 777087932 /nfs/dbraw/zinc/08/79/32/777087932.db2.gz SHVKJRHKXNSBAC-RISCZKNCSA-N 0 1 272.352 2.950 20 30 CFEDMN C=C[C@@]1(C)CC[C@@H](C(C)(C)Oc2nncc3n[nH]cc32)O1 ZINC001230901409 777088386 /nfs/dbraw/zinc/08/83/86/777088386.db2.gz PNSMYOHGQRQAOU-WFASDCNBSA-N 0 1 288.351 2.634 20 30 CFEDMN C=CCN1CC[C@H](NC(=O)C[C@H](C)c2ccccc2)C1 ZINC001269087891 777098527 /nfs/dbraw/zinc/09/85/27/777098527.db2.gz FHDZRRRSLSXBIE-HOCLYGCPSA-N 0 1 272.392 2.557 20 30 CFEDMN C=CCN1CC[C@@H](N(C)C(=O)[C@H](C)C(CC)CC)C1 ZINC001269250366 777149500 /nfs/dbraw/zinc/14/95/00/777149500.db2.gz DNDSTQWATDXHIU-UKRRQHHQSA-N 0 1 266.429 2.777 20 30 CFEDMN C=C(C)CN1CC[C@H]1CN(C)C(=O)C[C@@H](C)C(C)C ZINC001231177944 777166954 /nfs/dbraw/zinc/16/69/54/777166954.db2.gz GUBUUUCZIRDJQR-CABCVRRESA-N 0 1 266.429 2.777 20 30 CFEDMN CC(C)CC(=O)NCCCN(C)Cc1ccc(C#N)s1 ZINC001231320381 777191478 /nfs/dbraw/zinc/19/14/78/777191478.db2.gz WBEXDLHNNILKQD-UHFFFAOYSA-N 0 1 293.436 2.604 20 30 CFEDMN CC#CCN1CC[C@H]2CC[C@@H](C1)N2C(=O)CCCC(C)C ZINC001269597666 777217915 /nfs/dbraw/zinc/21/79/15/777217915.db2.gz LXLYNPVRLQQLKP-SJORKVTESA-N 0 1 290.451 2.901 20 30 CFEDMN C[N@@H+](Cc1ccc(C#N)cc1)Cc1ccc(C(=O)[O-])cc1O ZINC001231450951 777221272 /nfs/dbraw/zinc/22/12/72/777221272.db2.gz IVQHXOJMUKEDQJ-UHFFFAOYSA-N 0 1 296.326 2.594 20 30 CFEDMN N#Cc1ccc2c(c1)CCN(Cc1c[nH]c3cccnc13)C2 ZINC001231487017 777237623 /nfs/dbraw/zinc/23/76/23/777237623.db2.gz IOILUTOYJSBTPK-UHFFFAOYSA-N 0 1 288.354 2.993 20 30 CFEDMN C=CCC1(C(=O)N2CC[C@]3(CCN(CCF)C3)C2)CCC1 ZINC001269736970 777239100 /nfs/dbraw/zinc/23/91/00/777239100.db2.gz OZZPFWODWFBBGG-INIZCTEOSA-N 0 1 294.414 2.627 20 30 CFEDMN C=CCC[C@H](C)N1CC(N(C)C(=O)C2(C)CCC2)C1 ZINC001269832151 777254787 /nfs/dbraw/zinc/25/47/87/777254787.db2.gz OSDFRKLUWVJJEH-ZDUSSCGKSA-N 0 1 264.413 2.674 20 30 CFEDMN C=CCC[C@@H](C)N1CC(N(C)C(=O)C(C)(C)C=C)C1 ZINC001269831466 777255077 /nfs/dbraw/zinc/25/50/77/777255077.db2.gz HWSAZYHKSAHEJM-CYBMUJFWSA-N 0 1 264.413 2.696 20 30 CFEDMN COc1cc(F)ccc1CN1CCC(CC#N)CC1 ZINC001231603042 777276855 /nfs/dbraw/zinc/27/68/55/777276855.db2.gz GBOKRTIOWGIAJE-UHFFFAOYSA-N 0 1 262.328 2.960 20 30 CFEDMN COc1cc(F)ccc1CN1CCC(S)CC1 ZINC001231606201 777278982 /nfs/dbraw/zinc/27/89/82/777278982.db2.gz MHPOGDVLTHBIJH-UHFFFAOYSA-N 0 1 255.358 2.729 20 30 CFEDMN CCOc1ccc(CN2CCC(CC#N)CC2)cn1 ZINC001231654589 777294361 /nfs/dbraw/zinc/29/43/61/777294361.db2.gz QORWZCNCPRZGKQ-UHFFFAOYSA-N 0 1 259.353 2.606 20 30 CFEDMN C#Cc1cccc(CN2C[C@@H]3CCC[C@@H]3[C@H]2C(=O)OCC)c1 ZINC001231661115 777297333 /nfs/dbraw/zinc/29/73/33/777297333.db2.gz ODXQNGKIOHZZAU-BZSNNMDCSA-N 0 1 297.398 2.832 20 30 CFEDMN C#Cc1cccc(CN2CCCC[C@@H]2C(=O)NCCC)c1 ZINC001231659504 777297550 /nfs/dbraw/zinc/29/75/50/777297550.db2.gz NTMZJQAWXDIKSX-QGZVFWFLSA-N 0 1 284.403 2.549 20 30 CFEDMN CC(C)Oc1ncccc1CN1CCC(CC#N)CC1 ZINC001231759596 777326795 /nfs/dbraw/zinc/32/67/95/777326795.db2.gz QUNITRGZAZSTQN-UHFFFAOYSA-N 0 1 273.380 2.994 20 30 CFEDMN CCCC[C@@H](CC)CN1C[C@H]2C[C@@H](C1)N2C(=O)[C@@H](C)C#N ZINC001270501577 777394519 /nfs/dbraw/zinc/39/45/19/777394519.db2.gz NCZAJRAIPNKYEG-XUWVNRHRSA-N 0 1 291.439 2.648 20 30 CFEDMN CCCC[C@H](CC)CN1CCC12CN(C(=O)[C@H](C)C#N)C2 ZINC001270501365 777394867 /nfs/dbraw/zinc/39/48/67/777394867.db2.gz KKILVNVQOFWHKB-CABCVRRESA-N 0 1 291.439 2.649 20 30 CFEDMN CCCC[C@H](CC)CN1CCC12CN(C(=O)[C@@H](C)C#N)C2 ZINC001270501366 777395060 /nfs/dbraw/zinc/39/50/60/777395060.db2.gz KKILVNVQOFWHKB-GJZGRUSLSA-N 0 1 291.439 2.649 20 30 CFEDMN C#CCN1CC=C(CCNC(=O)[C@@H](CC)CC(C)C)CC1 ZINC001161655167 777438637 /nfs/dbraw/zinc/43/86/37/777438637.db2.gz FGVCUKFYRPIATF-KRWDZBQOSA-N 0 1 290.451 2.830 20 30 CFEDMN N#CC1(c2ccc(N(C(=N)N)c3ccc(F)cc3)nc2)CC1 ZINC001167989708 777518150 /nfs/dbraw/zinc/51/81/50/777518150.db2.gz DXPSYVDQESRIEM-UHFFFAOYSA-N 0 1 295.321 2.807 20 30 CFEDMN C=C(C)CCN1CC(N(C)C(=O)C[C@@H](C)C(F)(F)F)C1 ZINC001277652042 777533313 /nfs/dbraw/zinc/53/33/13/777533313.db2.gz NBGPJWOTMYEHFS-LLVKDONJSA-N 0 1 292.345 2.684 20 30 CFEDMN CC[C@@H]1[C@@H](NC(=O)C(C)C)CCN1Cc1cccc(C#N)c1 ZINC001087505120 777545916 /nfs/dbraw/zinc/54/59/16/777545916.db2.gz SUKFMENLQCLAMP-DLBZAZTESA-N 0 1 299.418 2.683 20 30 CFEDMN C=CCN1CC2(C1)CCN(C(=O)CCC1(C)CC1)CC2 ZINC001270864427 777548262 /nfs/dbraw/zinc/54/82/62/777548262.db2.gz VUZUCBJFTFIPDE-UHFFFAOYSA-N 0 1 276.424 2.677 20 30 CFEDMN N#Cc1ccnc(CN2CCC(c3cccnc3)CC2)c1 ZINC001232480380 777576079 /nfs/dbraw/zinc/57/60/79/777576079.db2.gz UUZXLCUUXDNSEC-UHFFFAOYSA-N 0 1 278.359 2.728 20 30 CFEDMN C=C(C)CCC(=O)N(C)[C@@H](C)CNCc1conc1CC ZINC001270978342 777619718 /nfs/dbraw/zinc/61/97/18/777619718.db2.gz ZVELGKIVOVSDRB-ZDUSSCGKSA-N 0 1 293.411 2.530 20 30 CFEDMN CC#CCN1CC[C@H](NC(=O)c2cc(C)c(C)o2)[C@H]1CC ZINC001087541853 777632585 /nfs/dbraw/zinc/63/25/85/777632585.db2.gz KLNLCAUFPVXBMV-LSDHHAIUSA-N 0 1 288.391 2.502 20 30 CFEDMN N#Cc1ccc(O)c(CN2CCC[C@H](F)C(F)(F)C2)c1 ZINC001232673476 777636183 /nfs/dbraw/zinc/63/61/83/777636183.db2.gz HKQJPTDOFONDRX-ZDUSSCGKSA-N 0 1 284.281 2.833 20 30 CFEDMN N#Cc1ccc([O-])c(C[N@H+]2CCCC[C@H]2CN2CCCC2)c1 ZINC001232679547 777640143 /nfs/dbraw/zinc/64/01/43/777640143.db2.gz NMOIBHMXZRCHIP-KRWDZBQOSA-N 0 1 299.418 2.714 20 30 CFEDMN N#Cc1ccc(O)c(CN2Cc3cnc(Cl)cc3C2)c1 ZINC001232680434 777640172 /nfs/dbraw/zinc/64/01/72/777640172.db2.gz DIAAFEPAAYQXOC-UHFFFAOYSA-N 0 1 285.734 2.828 20 30 CFEDMN C[N@@H+](Cc1cccs1)Cc1cc(C#N)ccc1[O-] ZINC001232680212 777640512 /nfs/dbraw/zinc/64/05/12/777640512.db2.gz YZONYEWCTNGFAD-UHFFFAOYSA-N 0 1 258.346 2.957 20 30 CFEDMN C#CCN1CC[C@H](NC(=O)C(C)(C)C2CCCC2)[C@H]1CC ZINC001087605215 777665943 /nfs/dbraw/zinc/66/59/43/777665943.db2.gz NHQGFWBFHQQIIK-JKSUJKDBSA-N 0 1 290.451 2.805 20 30 CFEDMN C#CCN1CC[C@H](NC(=O)[C@@H]2CCC=CCCC2)[C@H]1CC ZINC001087621428 777668196 /nfs/dbraw/zinc/66/81/96/777668196.db2.gz UNSGKGAIJMQSEQ-IXDOHACOSA-N 0 1 288.435 2.725 20 30 CFEDMN CC#CCN1CC[C@H](NC(=O)C2(C3CC3)CCC2)[C@H]1CC ZINC001087674587 777676531 /nfs/dbraw/zinc/67/65/31/777676531.db2.gz TYGWRAGXIKONMV-JKSUJKDBSA-N 0 1 288.435 2.559 20 30 CFEDMN CC#CCN1CC[C@H](NC(=O)c2occc2Cl)[C@H]1CC ZINC001087713741 777685507 /nfs/dbraw/zinc/68/55/07/777685507.db2.gz FZVZDGCVHDLOLU-QWHCGFSZSA-N 0 1 294.782 2.539 20 30 CFEDMN CC#CCN1CC[C@H](NC(=O)c2c(C)cccc2C)[C@H]1CC ZINC001087737296 777689359 /nfs/dbraw/zinc/68/93/59/777689359.db2.gz OFOVYQBSGNKDGF-DLBZAZTESA-N 0 1 298.430 2.909 20 30 CFEDMN C=Cc1ccc(C(=O)N[C@H]2CCN(CC#CC)[C@@H]2CC)cc1 ZINC001087736487 777690317 /nfs/dbraw/zinc/69/03/17/777690317.db2.gz SXERHCZGLYDFHO-ZWKOTPCHSA-N 0 1 296.414 2.936 20 30 CFEDMN Cc1cnccc1O[C@H]1CC[N@@H+](Cc2ccc(C#N)s2)C1 ZINC001232845115 777692141 /nfs/dbraw/zinc/69/21/41/777692141.db2.gz OBAJLQRSKKXKEA-ZDUSSCGKSA-N 0 1 299.399 2.977 20 30 CFEDMN C#CC1CCN(Cc2ccc(OC(F)F)nc2)CC1 ZINC001232958738 777738387 /nfs/dbraw/zinc/73/83/87/777738387.db2.gz YRRJBYKJIOCHPY-UHFFFAOYSA-N 0 1 266.291 2.528 20 30 CFEDMN Cc1ccc(CN2CCC3(CCOC3)CC2)c(C#N)c1 ZINC001232961645 777738895 /nfs/dbraw/zinc/73/88/95/777738895.db2.gz BPGGGGPRIZVXLV-UHFFFAOYSA-N 0 1 270.376 2.869 20 30 CFEDMN CO[C@H]1CCN(Cc2ccc(C)cc2C#N)[C@H](C)C1 ZINC001232969534 777744994 /nfs/dbraw/zinc/74/49/94/777744994.db2.gz SCQZDLSSJDZXID-CJNGLKHVSA-N 0 1 258.365 2.866 20 30 CFEDMN Cc1nnc([C@@H]2CCC[N@@H+](Cc3ccc(C)cc3C#N)C2)o1 ZINC001232968022 777745214 /nfs/dbraw/zinc/74/52/14/777745214.db2.gz APLOTIHFNXPABM-OAHLLOKOSA-N 0 1 296.374 2.938 20 30 CFEDMN Cc1nnc([C@@H]2CCCN(Cc3ccc(C)cc3C#N)C2)o1 ZINC001232968022 777745219 /nfs/dbraw/zinc/74/52/19/777745219.db2.gz APLOTIHFNXPABM-OAHLLOKOSA-N 0 1 296.374 2.938 20 30 CFEDMN CCCC[C@H](C)C(=O)NCCNCC#Cc1ccccc1 ZINC001126559348 777751242 /nfs/dbraw/zinc/75/12/42/777751242.db2.gz DIKWDZRSNHNQPO-INIZCTEOSA-N 0 1 286.419 2.570 20 30 CFEDMN N#C[C@@H]1CCCN1Cc1c(O)cc(Br)cc1F ZINC001233027674 777769191 /nfs/dbraw/zinc/76/91/91/777769191.db2.gz WSJNYVVCXLFVHY-VIFPVBQESA-N 0 1 299.143 2.782 20 30 CFEDMN Cc1cc(C#N)ccc1CN1CCC2SC(=O)C=C2C1 ZINC001233080430 777792018 /nfs/dbraw/zinc/79/20/18/777792018.db2.gz YAVKTCIQMSBKEK-OAHLLOKOSA-N 0 1 284.384 2.641 20 30 CFEDMN CO[C@@H]1CCN(Cc2ccc(C#N)c(SC)n2)[C@@H](C)C1 ZINC001141948432 777796780 /nfs/dbraw/zinc/79/67/80/777796780.db2.gz XUDORVHTPIZWKP-SMDDNHRTSA-N 0 1 291.420 2.674 20 30 CFEDMN N#C[C@@H]1C[C@H]2CC[C@@H](C1)N2Cc1cccc2nccn21 ZINC001233363661 777913772 /nfs/dbraw/zinc/91/37/72/777913772.db2.gz SIWYNSZOAHQIBZ-ZSOGYDGISA-N 0 1 266.348 2.601 20 30 CFEDMN C[N@@H+](Cc1cnc2ccccn12)Cc1ccc(C#N)cc1[O-] ZINC001233383304 777924608 /nfs/dbraw/zinc/92/46/08/777924608.db2.gz DGLQGANNZICOBF-UHFFFAOYSA-N 0 1 292.342 2.544 20 30 CFEDMN CC(C)=CC(=O)NCCCN(C)Cc1ccc(C#N)s1 ZINC001233535145 777981559 /nfs/dbraw/zinc/98/15/59/777981559.db2.gz NKGGWHNQYMDSFQ-UHFFFAOYSA-N 0 1 291.420 2.524 20 30 CFEDMN C[C@H](CC(C)(C)S)Oc1n[nH]c(=O)cc1Cl ZINC001233589798 778001419 /nfs/dbraw/zinc/00/14/19/778001419.db2.gz MSPOAUROKMXSRV-ZCFIWIBFSA-N 0 1 262.762 2.701 20 30 CFEDMN C=CCCC[N@@H+]1CC[C@H]1CN(C)C(=O)[C@@H](CC)SC ZINC001233728401 778054681 /nfs/dbraw/zinc/05/46/81/778054681.db2.gz BOMAHJGNYADOSA-UONOGXRCSA-N 0 1 284.469 2.627 20 30 CFEDMN C=C1CC(C)(C(=O)N[C@H]2CCN(C[C@H](F)CC)[C@@H]2C)C1 ZINC001088844116 778110033 /nfs/dbraw/zinc/11/00/33/778110033.db2.gz CRQUTKFKVIZFFZ-MCIONIFRSA-N 0 1 282.403 2.670 20 30 CFEDMN C=C(C)CN1CC[C@H](NC(=O)c2cccs2)[C@H]1C ZINC001088453639 778122319 /nfs/dbraw/zinc/12/23/19/778122319.db2.gz XQZGIKCHKSJMHG-NEPJUHHUSA-N 0 1 264.394 2.517 20 30 CFEDMN C=C1O[C@H](C)C(=O)C1Oc1ccc(Cl)c(C(=O)OC)c1 ZINC001233970211 778127266 /nfs/dbraw/zinc/12/72/66/778127266.db2.gz MNPZLVOLOOQOTC-SSDOTTSWSA-N 0 1 296.706 2.725 20 30 CFEDMN C=C[C@@H](CC)Oc1nc2cccc(C(=O)OC)c2[nH]1 ZINC001234039976 778149549 /nfs/dbraw/zinc/14/95/49/778149549.db2.gz UVKTZKVIUFRDME-VIFPVBQESA-N 0 1 260.293 2.693 20 30 CFEDMN C=CCCCNC(=O)NCC[N@H+](CC)CCC(F)(F)F ZINC001234046412 778152165 /nfs/dbraw/zinc/15/21/65/778152165.db2.gz ZFNXCZOMQHFESC-UHFFFAOYSA-N 0 1 295.349 2.526 20 30 CFEDMN C=CCCCNC(=O)NCCN(CC)CCC(F)(F)F ZINC001234046412 778152167 /nfs/dbraw/zinc/15/21/67/778152167.db2.gz ZFNXCZOMQHFESC-UHFFFAOYSA-N 0 1 295.349 2.526 20 30 CFEDMN C=C1O[C@@H](C)C(=O)C1Oc1ccc(F)c(F)c1OC ZINC001234204537 778185253 /nfs/dbraw/zinc/18/52/53/778185253.db2.gz RLAVCLWVDINAGM-LURJTMIESA-N 0 1 270.231 2.572 20 30 CFEDMN C=CCCC(C)(C)CNC(=O)N1CCN(C)[C@@H](C(C)C)C1 ZINC001234225403 778188997 /nfs/dbraw/zinc/18/89/97/778188997.db2.gz ILAYTVJQBIMRAE-OAHLLOKOSA-N 0 1 295.471 2.960 20 30 CFEDMN C=C1O[C@H](C)C(=O)C1Oc1cc(F)c(F)cc1OC ZINC001234231026 778190141 /nfs/dbraw/zinc/19/01/41/778190141.db2.gz CWRGQKKFDIWPIX-ZCFIWIBFSA-N 0 1 270.231 2.572 20 30 CFEDMN C=C(C)CN1CC[C@H](NC(=O)c2oc(C)cc2C)[C@H]1C ZINC001088514254 778191613 /nfs/dbraw/zinc/19/16/13/778191613.db2.gz IADZTCHOILBBHZ-KGLIPLIRSA-N 0 1 276.380 2.665 20 30 CFEDMN N#Cc1ccc2nc(=O)[nH]c(O[C@@H]3CCCC[C@H]3F)c2c1 ZINC001234530686 778244718 /nfs/dbraw/zinc/24/47/18/778244718.db2.gz KXUHJFIGQPEYPJ-DGCLKSJQSA-N 0 1 287.294 2.867 20 30 CFEDMN C=CCN1CC[C@H]1CN(C)C(=O)CC(C)(C)CC ZINC001234528562 778244830 /nfs/dbraw/zinc/24/48/30/778244830.db2.gz UJRUPNXDHJHMRV-ZDUSSCGKSA-N 0 1 252.402 2.531 20 30 CFEDMN N#Cc1ccc2nc(=O)[nH]c(O[C@H]3CCCC[C@H]3F)c2c1 ZINC001234530690 778245338 /nfs/dbraw/zinc/24/53/38/778245338.db2.gz KXUHJFIGQPEYPJ-YPMHNXCESA-N 0 1 287.294 2.867 20 30 CFEDMN C=CCC[N@@H+]1CC[C@@H]1CN(C)C(=O)CC(C)(C)CC ZINC001234536594 778246436 /nfs/dbraw/zinc/24/64/36/778246436.db2.gz FPMAWTQMIGQWHD-CQSZACIVSA-N 0 1 266.429 2.922 20 30 CFEDMN CC(C)(CC(=O)NCCNCc1ccccc1C#N)C1CC1 ZINC001126720670 778249277 /nfs/dbraw/zinc/24/92/77/778249277.db2.gz AJFQMORULNLPNE-UHFFFAOYSA-N 0 1 299.418 2.590 20 30 CFEDMN CC#CC[C@H](CC)Oc1nc(C)[nH]c(=O)c1Br ZINC001234567103 778253777 /nfs/dbraw/zinc/25/37/77/778253777.db2.gz CNVDRXKWDHPLCR-VIFPVBQESA-N 0 1 299.168 2.824 20 30 CFEDMN C=C[C@H](CC)CC(=O)N(C)C[C@H](C)NCc1cnc(C)o1 ZINC001277914322 778346196 /nfs/dbraw/zinc/34/61/96/778346196.db2.gz NUHYIZGEEVYACS-GXTWGEPZSA-N 0 1 293.411 2.522 20 30 CFEDMN N#C[C@@H]1CN(Cc2c[nH]c(-c3ccccc3F)c2)CCC1=O ZINC001235040677 778363620 /nfs/dbraw/zinc/36/36/20/778363620.db2.gz VNADIOLFILXDFF-CYBMUJFWSA-N 0 1 297.333 2.735 20 30 CFEDMN CC#CCN(C)CCN(C)C(=O)C[C@@H](CC)C(C)(C)C ZINC001272152190 778364111 /nfs/dbraw/zinc/36/41/11/778364111.db2.gz QTJCZNZIQULPPL-OAHLLOKOSA-N 0 1 280.456 2.862 20 30 CFEDMN CC#CCN(C)CCN(C)C(=O)C[C@H]1CCCC[C@H]1C ZINC001272185552 778369763 /nfs/dbraw/zinc/36/97/63/778369763.db2.gz PAJIUCWBVYNFGM-HZPDHXFCSA-N 0 1 278.440 2.616 20 30 CFEDMN N#Cc1ccccc1CN1CCC(c2cn[nH]c2)CC1 ZINC000344025826 778387561 /nfs/dbraw/zinc/38/75/61/778387561.db2.gz FYPPUYVTCJKPBQ-UHFFFAOYSA-N 0 1 266.348 2.661 20 30 CFEDMN C=CCN1CC[C@H](NC(=O)c2ccc(F)c(C(F)F)c2)C1 ZINC001014479716 778437999 /nfs/dbraw/zinc/43/79/99/778437999.db2.gz UAQDQWXHIZECJW-NSHDSACASA-N 0 1 298.308 2.753 20 30 CFEDMN C=CCN1CC[C@H](NC(=O)C2(c3ccccc3)CCC2)[C@H]1C ZINC001088722685 778459090 /nfs/dbraw/zinc/45/90/90/778459090.db2.gz HRSKXNQFSZRELX-WBVHZDCISA-N 0 1 298.430 2.873 20 30 CFEDMN C#C[C@H]1CCCN(Cc2cc(O)cc(OCC)c2)C1 ZINC001235410410 778480149 /nfs/dbraw/zinc/48/01/49/778480149.db2.gz QMSFTMHPLGOCHK-ZDUSSCGKSA-N 0 1 259.349 2.636 20 30 CFEDMN CC#CCN1CC[C@H](NC(=O)C2(C3CCC3)CCC2)[C@H]1C ZINC001088776608 778486569 /nfs/dbraw/zinc/48/65/69/778486569.db2.gz FAPDQCFXUPVRLH-ZBFHGGJFSA-N 0 1 288.435 2.559 20 30 CFEDMN C=CCN1CC[C@H](NC(=O)c2c(C)cc(F)cc2C)[C@H]1C ZINC001088789365 778492355 /nfs/dbraw/zinc/49/23/55/778492355.db2.gz JRSXZAYLHFNNJA-HIFRSBDPSA-N 0 1 290.382 2.821 20 30 CFEDMN CCc1cc(NC(=O)CN(C)C(C)C)cc(CC)c1C#N ZINC001142588193 778513407 /nfs/dbraw/zinc/51/34/07/778513407.db2.gz PQRSUYQDSCXNKA-UHFFFAOYSA-N 0 1 287.407 2.962 20 30 CFEDMN C=CCCC[N@@H+]1CC[C@H]1CN(C)C(=O)[C@@H]1CCC1(F)F ZINC001235682424 778535032 /nfs/dbraw/zinc/53/50/32/778535032.db2.gz DIOWGXJGPQSAOG-STQMWFEESA-N 0 1 286.366 2.531 20 30 CFEDMN CC[C@@H]1OC(C)=C(OCCCO[C@@H]2CCCCO2)C1=O ZINC001224532843 778564101 /nfs/dbraw/zinc/56/41/01/778564101.db2.gz ZGQIDNHRCFUQEG-QWHCGFSZSA-N 0 1 284.352 2.546 20 30 CFEDMN C=CC[N@@H+]1C[C@@H]2CCN(C(=O)c3ccc(CCC)cc3)[C@@H]2C1 ZINC001076193397 778574699 /nfs/dbraw/zinc/57/46/99/778574699.db2.gz HMSZQICWWWWWHJ-ZWKOTPCHSA-N 0 1 298.430 2.971 20 30 CFEDMN C=CCN1C[C@@H]2CCN(C(=O)c3cc4ccccc4o3)[C@@H]2C1 ZINC001076533275 778594479 /nfs/dbraw/zinc/59/44/79/778594479.db2.gz ROQOBRGJNCAHCH-LSDHHAIUSA-N 0 1 296.370 2.765 20 30 CFEDMN C=CCN1CC[C@H](NC(=O)C2(C)CCCCC2)[C@H]1C ZINC001088835180 778603454 /nfs/dbraw/zinc/60/34/54/778603454.db2.gz ICGIQCHSGSYKTE-KGLIPLIRSA-N 0 1 264.413 2.722 20 30 CFEDMN Oc1ccccc1/C=N/CCN1CCc2ccccc2C1 ZINC000129657411 778760274 /nfs/dbraw/zinc/76/02/74/778760274.db2.gz WPYRHXSQHXXUDM-CPNJWEJPSA-N 0 1 280.371 2.869 20 30 CFEDMN C=CCCSCCNCc1ccsc1C(=O)OC ZINC000696068943 778829355 /nfs/dbraw/zinc/82/93/55/778829355.db2.gz OWCCRMLMIYHXDM-UHFFFAOYSA-N 0 1 285.434 2.934 20 30 CFEDMN Cc1ccc(-c2cc3[nH]cnc3c(C#N)n2)c2c[nH]nc21 ZINC001236476006 778843530 /nfs/dbraw/zinc/84/35/30/778843530.db2.gz RSDQYHAUGCZOAC-UHFFFAOYSA-N 0 1 274.287 2.681 20 30 CFEDMN COc1ccc(C#N)cc1-c1ccc(CN(C)C)cn1 ZINC001236539020 778870158 /nfs/dbraw/zinc/87/01/58/778870158.db2.gz PZAXPBROLVTSLP-UHFFFAOYSA-N 0 1 267.332 2.690 20 30 CFEDMN N#CCCN1CCN(Cc2cccc3sccc32)CC1 ZINC001236680358 778909167 /nfs/dbraw/zinc/90/91/67/778909167.db2.gz WXAXJLQYJQCGPQ-UHFFFAOYSA-N 0 1 285.416 2.933 20 30 CFEDMN C=CCN1CC(C)(C)CC[C@@H]1CNC(=O)[C@@H](CC)SC ZINC001099022868 778920895 /nfs/dbraw/zinc/92/08/95/778920895.db2.gz JNHBSXIRYSPTLF-ZIAGYGMSSA-N 0 1 298.496 2.921 20 30 CFEDMN N#CCC[C@H](C#N)CNCc1ccnc2ccccc12 ZINC001120558298 778921200 /nfs/dbraw/zinc/92/12/00/778921200.db2.gz DTKGBFJYBYTPTN-CYBMUJFWSA-N 0 1 264.332 2.768 20 30 CFEDMN C=CCN1CC[C@H](NC(=O)c2cc(C)cc(F)c2)[C@H]1C ZINC001088875761 778931347 /nfs/dbraw/zinc/93/13/47/778931347.db2.gz BFLACMYVEXMVNM-DOMZBBRYSA-N 0 1 276.355 2.513 20 30 CFEDMN C=CCN1CC[C@H](NC(=O)c2cccc(F)c2Cl)[C@H]1C ZINC001088880985 778933718 /nfs/dbraw/zinc/93/37/18/778933718.db2.gz WHHLHAPHBKMZIS-MFKMUULPSA-N 0 1 296.773 2.858 20 30 CFEDMN C#CCN1CC[C@H](NC(=O)c2cccc(C(C)C)c2)[C@H]1C ZINC001088957600 778961062 /nfs/dbraw/zinc/96/10/62/778961062.db2.gz LWSGRHPBACJOHM-PBHICJAKSA-N 0 1 284.403 2.636 20 30 CFEDMN C[C@@H]1[C@@H](NC(=O)C(C)(C)C)CCN1Cc1ccc(C#N)cc1 ZINC001088997467 778972378 /nfs/dbraw/zinc/97/23/78/778972378.db2.gz SAFVEKNWDMGCNG-CJNGLKHVSA-N 0 1 299.418 2.683 20 30 CFEDMN C=CCN1CC[C@H](NC(=O)c2cccc(Cl)c2)[C@H]1C ZINC001088998259 778972573 /nfs/dbraw/zinc/97/25/73/778972573.db2.gz KPUSRTOSTWOQCA-RISCZKNCSA-N 0 1 278.783 2.719 20 30 CFEDMN C=CCN1CC[C@H](NC(=O)c2cc(C)c(F)c(C)c2)[C@H]1C ZINC001089046844 778981324 /nfs/dbraw/zinc/98/13/24/778981324.db2.gz DFDVGMACYJUAQH-HIFRSBDPSA-N 0 1 290.382 2.821 20 30 CFEDMN C#CCN1CC[C@H](NC(=O)[C@]2(C)CCC(C)=C(C)C2)[C@H]1C ZINC001089067957 778987120 /nfs/dbraw/zinc/98/71/20/778987120.db2.gz DUVYOTKZRSTNQW-SOLBZPMBSA-N 0 1 288.435 2.725 20 30 CFEDMN CCCCCCC/C=C/CN1CC[C@@H]2C[C@@]21C(N)=O ZINC001278038217 778992063 /nfs/dbraw/zinc/99/20/63/778992063.db2.gz WFCVZEOATGHWQB-RIEFBQKVSA-N 0 1 264.413 2.853 20 30 CFEDMN N#C[C@H]1CCN(Cc2c(O)cc(Br)cc2F)C1 ZINC001233032157 779008969 /nfs/dbraw/zinc/00/89/69/779008969.db2.gz VLARUZQLKWEZFO-MRVPVSSYSA-N 0 1 299.143 2.639 20 30 CFEDMN C=CCC(CC=C)C(=O)NC1(C)CCN(CCF)CC1 ZINC001278052205 779010716 /nfs/dbraw/zinc/01/07/16/779010716.db2.gz RVBBTOYTWYGQRN-UHFFFAOYSA-N 0 1 282.403 2.695 20 30 CFEDMN N#C[C@H]1CN(Cc2ccc(C3CCC3)cc2)CCC1=O ZINC001237110129 779013832 /nfs/dbraw/zinc/01/38/32/779013832.db2.gz HAGAWYMLQLBYCG-INIZCTEOSA-N 0 1 268.360 2.869 20 30 CFEDMN C=C(C)CCN1CC(NC(=O)C[C@@H]2CC[C@H](C)C2)C1 ZINC001030808411 779032617 /nfs/dbraw/zinc/03/26/17/779032617.db2.gz WQFGMALZRNMADT-UONOGXRCSA-N 0 1 264.413 2.579 20 30 CFEDMN N#CC(C(=O)Nc1ccc(F)c(Cl)c1)C(=O)C1CCC1 ZINC000130112909 779036806 /nfs/dbraw/zinc/03/68/06/779036806.db2.gz GGTJDZQMGRTEKK-JTQLQIEISA-N 0 1 294.713 2.927 20 30 CFEDMN C[N@@H+](Cc1ccc(Cl)nc1)Cc1ccc(C#N)cc1[O-] ZINC001233387062 779038494 /nfs/dbraw/zinc/03/84/94/779038494.db2.gz SUFCKLWQCWFUMS-UHFFFAOYSA-N 0 1 287.750 2.944 20 30 CFEDMN CC(=O)Nc1ccccc1CN1[C@@H]2CC[C@H]1C[C@H](C#N)C2 ZINC001237411789 779100987 /nfs/dbraw/zinc/10/09/87/779100987.db2.gz BXZQDMVQRAIBGJ-MKZZRHPPSA-N 0 1 283.375 2.912 20 30 CFEDMN C=C1CC(C)(C(=O)NC2CN(C[C@@H]3CC[C@H]4C[C@H]4C3)C2)C1 ZINC001030923987 779104995 /nfs/dbraw/zinc/10/49/95/779104995.db2.gz HHSVVGVZMOUECU-QLFBSQMISA-N 0 1 288.435 2.579 20 30 CFEDMN C#CCN1CC(C)(C)CC[C@@H]1CNC(=O)[C@@]1(C)C=CCC1 ZINC001099165037 779115287 /nfs/dbraw/zinc/11/52/87/779115287.db2.gz JJLPFAZRKISXPI-QAPCUYQASA-N 0 1 288.435 2.583 20 30 CFEDMN Cc1cccc(C(=O)Nc2cc(C#N)ccc2O)c1O ZINC000176403284 779124348 /nfs/dbraw/zinc/12/43/48/779124348.db2.gz KECHURKOXRJSBY-UHFFFAOYSA-N 0 1 268.272 2.530 20 30 CFEDMN N#Cc1cc(CN2CCN(C3CCC3)CC2)c(F)cc1F ZINC001237524446 779126338 /nfs/dbraw/zinc/12/63/38/779126338.db2.gz IWZZDKJPNBYSAT-UHFFFAOYSA-N 0 1 291.345 2.507 20 30 CFEDMN CN(CCc1ccncc1)Cc1cc(C#N)c(F)cc1F ZINC001237526443 779126776 /nfs/dbraw/zinc/12/67/76/779126776.db2.gz PFVBUTZRVMWLOE-UHFFFAOYSA-N 0 1 287.313 2.906 20 30 CFEDMN C[C@H]1CCN(Cc2cc(C#N)c(F)cc2F)CC[C@@]1(C)O ZINC001237524907 779126968 /nfs/dbraw/zinc/12/69/68/779126968.db2.gz NTAAGBHCJMOCOQ-MEDUHNTESA-N 0 1 294.345 2.819 20 30 CFEDMN C[C@@H]1CCN(Cc2cc(C#N)c(F)cc2F)CC[C@]1(C)O ZINC001237524906 779127329 /nfs/dbraw/zinc/12/73/29/779127329.db2.gz NTAAGBHCJMOCOQ-BZNIZROVSA-N 0 1 294.345 2.819 20 30 CFEDMN Cc1cc(C(=O)Nc2cc(C#N)ccc2O)ccc1F ZINC000176409638 779128351 /nfs/dbraw/zinc/12/83/51/779128351.db2.gz TXHOYXRFEPNEPC-UHFFFAOYSA-N 0 1 270.263 2.964 20 30 CFEDMN N#Cc1ccc2nc(CN3CC[C@H]4CCC[C@@H]4C3)cn2c1 ZINC001237603532 779139958 /nfs/dbraw/zinc/13/99/58/779139958.db2.gz CJEMIKVFPVKDEN-HUUCEWRRSA-N 0 1 280.375 2.828 20 30 CFEDMN N#Cc1ccc2nc(CN3CC[C@@H]4CCC[C@H]4C3)cn2c1 ZINC001237603531 779140414 /nfs/dbraw/zinc/14/04/14/779140414.db2.gz CJEMIKVFPVKDEN-GJZGRUSLSA-N 0 1 280.375 2.828 20 30 CFEDMN N#C[C@@H]1CCCN(Cc2ccnc(OC(F)F)c2)CC1 ZINC001237614885 779143277 /nfs/dbraw/zinc/14/32/77/779143277.db2.gz JMTMFBRNGDDLSY-LLVKDONJSA-N 0 1 281.306 2.809 20 30 CFEDMN Cc1nc(CC[N@H+](C)Cc2cc(Cl)cc(C#N)c2)no1 ZINC001237745390 779173623 /nfs/dbraw/zinc/17/36/23/779173623.db2.gz FRNFOPCAERECGE-UHFFFAOYSA-N 0 1 290.754 2.578 20 30 CFEDMN Cc1nc(CCN(C)Cc2cc(Cl)cc(C#N)c2)no1 ZINC001237745390 779173625 /nfs/dbraw/zinc/17/36/25/779173625.db2.gz FRNFOPCAERECGE-UHFFFAOYSA-N 0 1 290.754 2.578 20 30 CFEDMN C=CCN(Cc1ccccc1)Cc1c[nH]ccc1=O ZINC001237841956 779193491 /nfs/dbraw/zinc/19/34/91/779193491.db2.gz AVGUXXGUJMVMIL-UHFFFAOYSA-N 0 1 254.333 2.563 20 30 CFEDMN C=C(C)CN1C[C@]2(CC1=O)CCCCN2Cc1ccco1 ZINC001272586078 779242085 /nfs/dbraw/zinc/24/20/85/779242085.db2.gz WCOUMEGUGFWMOT-QGZVFWFLSA-N 0 1 288.391 2.813 20 30 CFEDMN N#Cc1ccc2c(c1)CCN(Cc1cccc3cncn31)C2 ZINC001238106633 779254672 /nfs/dbraw/zinc/25/46/72/779254672.db2.gz LTVWXRAYUGYZMH-UHFFFAOYSA-N 0 1 288.354 2.764 20 30 CFEDMN COC[C@H]1CCCN1Cc1ccc(Cl)c(C#N)c1 ZINC001238189627 779275307 /nfs/dbraw/zinc/27/53/07/779275307.db2.gz ULJWHVZHCONRTG-CYBMUJFWSA-N 0 1 264.756 2.822 20 30 CFEDMN C#C[C@@H]1CCCN(Cc2cncc(OC(C)C)c2)C1 ZINC001238471166 779326732 /nfs/dbraw/zinc/32/67/32/779326732.db2.gz LGPPWWNSBDQRBU-CQSZACIVSA-N 0 1 258.365 2.714 20 30 CFEDMN C#CCN1CC[C@@](C)(NC(=O)[C@H]2CC[C@H](C(C)C)CC2)C1 ZINC001046726705 779330338 /nfs/dbraw/zinc/33/03/38/779330338.db2.gz PLUHFFIYVBUFPJ-JFIYKMOQSA-N 0 1 290.451 2.663 20 30 CFEDMN C=CCN1CCN(Cc2cc(OCC)ccc2C)CC1 ZINC001238718309 779376031 /nfs/dbraw/zinc/37/60/31/779376031.db2.gz ZOZCWUQGQUDDDW-UHFFFAOYSA-N 0 1 274.408 2.697 20 30 CFEDMN CCc1cc(CN2CCC(C(=O)OC)CC2)ccc1C#N ZINC001238760690 779384723 /nfs/dbraw/zinc/38/47/23/779384723.db2.gz NXTDPPBNVRVNEJ-UHFFFAOYSA-N 0 1 286.375 2.506 20 30 CFEDMN CCc1cc(CN2CC3(C2)CCOCC3)ccc1C#N ZINC001238774753 779389868 /nfs/dbraw/zinc/38/98/68/779389868.db2.gz LVUITALEAATOPF-UHFFFAOYSA-N 0 1 270.376 2.733 20 30 CFEDMN C=C(C)C[N@H+]1CC[C@](C)(NC(=O)c2ccc(CF)cc2)C1 ZINC001046866988 779398634 /nfs/dbraw/zinc/39/86/34/779398634.db2.gz QJMFSLCOPMCELH-KRWDZBQOSA-N 0 1 290.382 2.926 20 30 CFEDMN C=C(C)CN1CCC(F)(F)[C@H](CNC(=O)c2ccoc2)C1 ZINC001046914562 779405115 /nfs/dbraw/zinc/40/51/15/779405115.db2.gz QRVWTUOQBPHHRK-CYBMUJFWSA-N 0 1 298.333 2.543 20 30 CFEDMN C#CCN1CC(C)(C)CC[C@@H]1CNC(=O)c1ccsc1 ZINC001089607712 779541851 /nfs/dbraw/zinc/54/18/51/779541851.db2.gz QKLHNZVKYBWTQC-CQSZACIVSA-N 0 1 290.432 2.602 20 30 CFEDMN C=CCN1CC(C)(C)CC[C@H]1CNC(=O)c1cc(F)c[nH]1 ZINC001089671126 779559897 /nfs/dbraw/zinc/55/98/97/779559897.db2.gz LQZHWFBSOOUCDK-ZDUSSCGKSA-N 0 1 293.386 2.560 20 30 CFEDMN CCCCCCCCCNC(=S)N1CCN[C@H]2C[C@H]21 ZINC001239431289 779564034 /nfs/dbraw/zinc/56/40/34/779564034.db2.gz KPMDQOJBLILLDC-UONOGXRCSA-N 0 1 283.485 2.658 20 30 CFEDMN C=CCN1CC(CNC(=O)[C@@H]2CCC[C@@H]2c2ccccc2)C1 ZINC001031836819 779637984 /nfs/dbraw/zinc/63/79/84/779637984.db2.gz RGFVVBIHUZNBJK-QZTJIDSGSA-N 0 1 298.430 2.804 20 30 CFEDMN C=CCN1CC(CNC(=O)c2cc(C(C)(C)C)oc2C)C1 ZINC001032010634 779710176 /nfs/dbraw/zinc/71/01/76/779710176.db2.gz YZRBHBYRRNMWGX-UHFFFAOYSA-N 0 1 290.407 2.733 20 30 CFEDMN N#Cc1nc(-c2ccc3[nH]ccc3c2)cc2[nH]cnc21 ZINC001239691124 779712191 /nfs/dbraw/zinc/71/21/91/779712191.db2.gz BRLPYINTNBOCMJ-UHFFFAOYSA-N 0 1 259.272 2.978 20 30 CFEDMN C[C@@H]1CCN(Cc2cc(Cl)cc(C#N)c2)CC[C@@H]1O ZINC001237746521 779715679 /nfs/dbraw/zinc/71/56/79/779715679.db2.gz NYYXAERGOVJJHH-ABAIWWIYSA-N 0 1 278.783 2.804 20 30 CFEDMN C=CCN1CC(CNC(=O)c2cccc3ccsc32)C1 ZINC001032103805 779737389 /nfs/dbraw/zinc/73/73/89/779737389.db2.gz NXEVISYZEMGZPD-UHFFFAOYSA-N 0 1 286.400 2.749 20 30 CFEDMN C=C(C)CN1CC(CNC(=O)c2ccc(Cl)cc2)C1 ZINC001032143821 779746329 /nfs/dbraw/zinc/74/63/29/779746329.db2.gz HAXFDCQBHFMRKF-UHFFFAOYSA-N 0 1 278.783 2.578 20 30 CFEDMN C=CCN1CC(CNC(=O)c2cccc(Cl)c2Cl)C1 ZINC001032149166 779747656 /nfs/dbraw/zinc/74/76/56/779747656.db2.gz UOXPNUUZYJWKHF-UHFFFAOYSA-N 0 1 299.201 2.841 20 30 CFEDMN C=C(C)CN1CC(CNC(=O)c2cccc(C)c2C)C1 ZINC001032165873 779751638 /nfs/dbraw/zinc/75/16/38/779751638.db2.gz VGSKTEMDDHBDCM-UHFFFAOYSA-N 0 1 272.392 2.541 20 30 CFEDMN C=C(C)CN1CC(CNC(=O)c2cc(C)c(C)s2)C1 ZINC001032173486 779753511 /nfs/dbraw/zinc/75/35/11/779753511.db2.gz FBNRURMWSCMRAW-UHFFFAOYSA-N 0 1 278.421 2.603 20 30 CFEDMN C=C(C)CCN1CCO[C@@](C)(CNC(=O)CCC(C)C)C1 ZINC001107724714 779887937 /nfs/dbraw/zinc/88/79/37/779887937.db2.gz UWVFARPUDAMSAL-KRWDZBQOSA-N 0 1 296.455 2.596 20 30 CFEDMN C=CCCN1CCO[C@](C)(CNC(=O)C[C@H](C)CCC)C1 ZINC001107800480 779902018 /nfs/dbraw/zinc/90/20/18/779902018.db2.gz STVNPAUIYBWSSF-NVXWUHKLSA-N 0 1 296.455 2.596 20 30 CFEDMN C=CCCC(=O)NC[C@]1(C)CN(CC/C=C/CC)CCO1 ZINC001107801991 779902216 /nfs/dbraw/zinc/90/22/16/779902216.db2.gz GJDIDGHXWFTSAJ-DBWMJRBXSA-N 0 1 294.439 2.516 20 30 CFEDMN C=CCCCN1CCO[C@@](C)(CNC(=O)C[C@@H](C)CC)C1 ZINC001107901522 779933815 /nfs/dbraw/zinc/93/38/15/779933815.db2.gz RLQQLLARPXLTNH-RDJZCZTQSA-N 0 1 296.455 2.596 20 30 CFEDMN C=CCCC[N@H+]1CCO[C@@](C)(CNC(=O)/C=C(/C)CC)C1 ZINC001107924144 779939492 /nfs/dbraw/zinc/93/94/92/779939492.db2.gz IWFLRXSCIWBAFY-KSVUCXBSSA-N 0 1 294.439 2.516 20 30 CFEDMN C=CCCCN1CCO[C@@](C)(CNC(=O)/C=C(/C)CC)C1 ZINC001107924144 779939497 /nfs/dbraw/zinc/93/94/97/779939497.db2.gz IWFLRXSCIWBAFY-KSVUCXBSSA-N 0 1 294.439 2.516 20 30 CFEDMN C[C@@H]1CCC[C@H]1CC(=O)NCCNCc1ccccc1C#N ZINC001127927025 779943747 /nfs/dbraw/zinc/94/37/47/779943747.db2.gz AAPWLFADVNPUES-CABCVRRESA-N 0 1 299.418 2.590 20 30 CFEDMN C=CCC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@@]1(C)CC=CCC1 ZINC001032421692 779951957 /nfs/dbraw/zinc/95/19/57/779951957.db2.gz ZGNSWHKCMCXJDK-ZOBUZTSGSA-N 0 1 274.408 2.594 20 30 CFEDMN C=CCCN1C[C@@H]2C[C@H]1CN2C(=O)[C@@]1(C)CC=CCC1 ZINC001032421692 779951960 /nfs/dbraw/zinc/95/19/60/779951960.db2.gz ZGNSWHKCMCXJDK-ZOBUZTSGSA-N 0 1 274.408 2.594 20 30 CFEDMN C=C(C)CN1C(=O)CC[C@@H]2[C@H]1CCN2Cc1cc(C)ccn1 ZINC001272783948 779998706 /nfs/dbraw/zinc/99/87/06/779998706.db2.gz UGPMQGQSSAMJJV-IAGOWNOFSA-N 0 1 299.418 2.531 20 30 CFEDMN C=CCCN1C[C@@H]2C[C@H]1CN2C(=O)c1c(C)oc(C)c1C ZINC001032508205 780000036 /nfs/dbraw/zinc/00/00/36/780000036.db2.gz ZOFWDRCCHLGFAJ-GJZGRUSLSA-N 0 1 288.391 2.680 20 30 CFEDMN C=CCCN1C[C@@H]2C[C@H]1CN2C(=O)C1(C2CCC2)CCC1 ZINC001032545124 780023391 /nfs/dbraw/zinc/02/33/91/780023391.db2.gz APAOXYQJSZKBDE-HOTGVXAUSA-N 0 1 288.435 2.818 20 30 CFEDMN N#Cc1nc(-c2ccc(C(F)(F)F)nc2)cc2[nH]cnc21 ZINC001240265944 780038299 /nfs/dbraw/zinc/03/82/99/780038299.db2.gz WAPQVAHOWUBYMK-UHFFFAOYSA-N 0 1 289.220 2.910 20 30 CFEDMN C=CCCN1C[C@@H]2C[C@H]1CN2C(=O)C1(C(F)F)CCCC1 ZINC001032585684 780053404 /nfs/dbraw/zinc/05/34/04/780053404.db2.gz RJHRMSACVCPGJW-STQMWFEESA-N 0 1 298.377 2.673 20 30 CFEDMN C=CCCONC(=O)c1cccc2nc(C(F)F)[nH]c21 ZINC001168627322 780120056 /nfs/dbraw/zinc/12/00/56/780120056.db2.gz OXLYYCKUORITJK-UHFFFAOYSA-N 0 1 281.262 2.738 20 30 CFEDMN C#CCCN1C[C@@H]2C[C@H]1CN2C(=O)[C@H](C)CC1CCCC1 ZINC001032660773 780122689 /nfs/dbraw/zinc/12/26/89/780122689.db2.gz HXANCALFPMTMGV-PVAVHDDUSA-N 0 1 288.435 2.511 20 30 CFEDMN C=CCCN1C[C@@H]2C[C@H]1CN2C(=O)c1oc(CC)cc1C ZINC001032734197 780158609 /nfs/dbraw/zinc/15/86/09/780158609.db2.gz APXODNYGRQZHEW-KBPBESRZSA-N 0 1 288.391 2.625 20 30 CFEDMN C=C(C)CN1C[C@@H]2C[C@H]1CN2C(=O)Cc1ccc(C)c(C)c1 ZINC001032769850 780203937 /nfs/dbraw/zinc/20/39/37/780203937.db2.gz AZDFHVKXMUXCRJ-ROUUACIJSA-N 0 1 298.430 2.707 20 30 CFEDMN CCC(C)(C)CC(=O)NCCNCC#Cc1ccccc1 ZINC001128144415 780218995 /nfs/dbraw/zinc/21/89/95/780218995.db2.gz KBDULXFZAGANIS-UHFFFAOYSA-N 0 1 286.419 2.570 20 30 CFEDMN C=CCCN1C[C@@H]2C[C@H]1CN2C(=O)c1cccn1C(C)C ZINC001032786467 780224006 /nfs/dbraw/zinc/22/40/06/780224006.db2.gz DOORSQMGJXYPJG-GJZGRUSLSA-N 0 1 287.407 2.544 20 30 CFEDMN C#CCCN1C[C@@H]2C[C@H]1CN2C(=O)C1CCC(C)(C)CC1 ZINC001032809450 780267670 /nfs/dbraw/zinc/26/76/70/780267670.db2.gz NCLSWYHDQHYPOL-HOTGVXAUSA-N 0 1 288.435 2.511 20 30 CFEDMN COc1cc(-c2cc3[nH]cnc3c(C#N)n2)cc(F)c1F ZINC001240658613 780332730 /nfs/dbraw/zinc/33/27/30/780332730.db2.gz LQATYELQDLCFMX-UHFFFAOYSA-N 0 1 286.241 2.783 20 30 CFEDMN C=C(C)CN1C[C@@]2(CC1=O)CCCCN2Cc1ccccn1 ZINC001272941482 780335444 /nfs/dbraw/zinc/33/54/44/780335444.db2.gz CIUIWSBKFXTJRN-SFHVURJKSA-N 0 1 299.418 2.615 20 30 CFEDMN C=CCN1C[C@@]2(CC1=O)CCCCN2Cc1cccc(C)n1 ZINC001272945124 780343453 /nfs/dbraw/zinc/34/34/53/780343453.db2.gz RXVSMVMWWJZCBM-SFHVURJKSA-N 0 1 299.418 2.533 20 30 CFEDMN N#Cc1ccc(F)c(-c2noc(-c3ncccc3O)n2)c1 ZINC001212480760 780395599 /nfs/dbraw/zinc/39/55/99/780395599.db2.gz GXJWSSJORCOODX-UHFFFAOYSA-N 0 1 282.234 2.515 20 30 CFEDMN C=C(C)CCC(=O)NCCNCc1cccc(C(C)C)n1 ZINC001128405087 780426339 /nfs/dbraw/zinc/42/63/39/780426339.db2.gz NQUOYOJXGKKWHK-UHFFFAOYSA-N 0 1 289.423 2.767 20 30 CFEDMN C#C[C@H](NC(=O)c1cccc2n[nH]cc21)c1ccccc1 ZINC001143126700 780426589 /nfs/dbraw/zinc/42/65/89/780426589.db2.gz KPHYOIVJVKHIDN-HNNXBMFYSA-N 0 1 275.311 2.667 20 30 CFEDMN C=C(C)CCC(=O)NCCNCc1cc(O)ccc1Cl ZINC001128408703 780427189 /nfs/dbraw/zinc/42/71/89/780427189.db2.gz AYYLJKLZKDTCHV-UHFFFAOYSA-N 0 1 296.798 2.608 20 30 CFEDMN C=C(C)CCC(=O)NCCNCc1oc(C(C)C)nc1C ZINC001128405192 780427604 /nfs/dbraw/zinc/42/76/04/780427604.db2.gz SRARIOSQRQAXIO-UHFFFAOYSA-N 0 1 293.411 2.669 20 30 CFEDMN C=CCN1CC[C@]2(CCCN2Cc2cc(C)c(C)o2)C1=O ZINC001273012145 780517744 /nfs/dbraw/zinc/51/77/44/780517744.db2.gz MVVHKVJFUJKKSI-QGZVFWFLSA-N 0 1 288.391 2.649 20 30 CFEDMN C=C(C)CN1CC[C@H](N(C)C(=O)c2cc(C)cs2)C1 ZINC001033064426 780551755 /nfs/dbraw/zinc/55/17/55/780551755.db2.gz OVXKHMYZCALSTO-ZDUSSCGKSA-N 0 1 278.421 2.779 20 30 CFEDMN C=CCN1CC[C@@H](N(C)C(=O)[C@H]2CCCC3(CC3)C2)C1 ZINC001033075316 780554971 /nfs/dbraw/zinc/55/49/71/780554971.db2.gz FSUZDSVPZSPSNC-LSDHHAIUSA-N 0 1 276.424 2.676 20 30 CFEDMN C#CCCN1CC[C@@H](N(C)C(=O)c2sccc2Cl)C1 ZINC001033104983 780564995 /nfs/dbraw/zinc/56/49/95/780564995.db2.gz XIXUAAJEZADGJA-LLVKDONJSA-N 0 1 296.823 2.571 20 30 CFEDMN C=CCN1CCN([C@H]2Cc3cccc(Cl)c3C2)CC1 ZINC001168735365 780570570 /nfs/dbraw/zinc/57/05/70/780570570.db2.gz RNQYTDKKKFEDHX-AWEZNQCLSA-N 0 1 276.811 2.611 20 30 CFEDMN C=C(C)CN1CC[C@H](N(C)C(=O)c2ccc(CC)o2)C1 ZINC001033200134 780614835 /nfs/dbraw/zinc/61/48/35/780614835.db2.gz IICGSPNHEJTQMZ-ZDUSSCGKSA-N 0 1 276.380 2.564 20 30 CFEDMN CC#CCN1CC[C@@H](N(C)C(=O)C2CCC3(CC3)CC2)C1 ZINC001033271877 780638062 /nfs/dbraw/zinc/63/80/62/780638062.db2.gz WSVGSBGPZSFSFO-MRXNPFEDSA-N 0 1 288.435 2.513 20 30 CFEDMN C=CCN1CC[C@H](N(C)C(=O)C2CCC3(CC3)CC2)C1 ZINC001033276130 780638162 /nfs/dbraw/zinc/63/81/62/780638162.db2.gz RQFRWRASIBRQCJ-HNNXBMFYSA-N 0 1 276.424 2.676 20 30 CFEDMN C#CCN1CC[C@@H](N(C)C(=O)c2cc(C)ccc2C2CC2)C1 ZINC001033296306 780643065 /nfs/dbraw/zinc/64/30/65/780643065.db2.gz SPZLUDBMLJDGFZ-MRXNPFEDSA-N 0 1 296.414 2.652 20 30 CFEDMN C=CCN1CC[C@@H](N(C)C(=O)C2(C3CCC3)CCC2)C1 ZINC001033299952 780644784 /nfs/dbraw/zinc/64/47/84/780644784.db2.gz HDSCTMLDVANRCY-OAHLLOKOSA-N 0 1 276.424 2.676 20 30 CFEDMN COc1cc(-c2c(F)cc(O)cc2F)ncc1C#N ZINC001241116453 780645435 /nfs/dbraw/zinc/64/54/35/780645435.db2.gz AVDVUYQRIBLWLZ-UHFFFAOYSA-N 0 1 262.215 2.613 20 30 CFEDMN C=C(C)CN1CC[C@H](N(C)C(=O)c2ccoc2C2CC2)C1 ZINC001033363580 780665472 /nfs/dbraw/zinc/66/54/72/780665472.db2.gz JSNWGCKTEMTOFA-AWEZNQCLSA-N 0 1 288.391 2.879 20 30 CFEDMN C=C1O[C@H](CC)C(=O)C1Oc1c(F)c(F)nc(F)c1F ZINC001229863385 780676822 /nfs/dbraw/zinc/67/68/22/780676822.db2.gz GYFUQTDCXQAHMS-RXMQYKEDSA-N 0 1 291.200 2.626 20 30 CFEDMN C=C1CC(C)(C(=O)N(C)[C@H]2CCN(C[C@@H](F)CC)C2)C1 ZINC001033399607 780678120 /nfs/dbraw/zinc/67/81/20/780678120.db2.gz PKGXJBIHEVOHBT-KBPBESRZSA-N 0 1 282.403 2.624 20 30 CFEDMN C=CCN1CC[C@H](N(C)C(=O)c2cc(F)ccc2Cl)C1 ZINC001033446827 780685415 /nfs/dbraw/zinc/68/54/15/780685415.db2.gz NJWFIWZSWWDIFF-LBPRGKRZSA-N 0 1 296.773 2.811 20 30 CFEDMN C=CCN1CC[C@H](N(C)C(=O)c2cccc3c2ccn3C)C1 ZINC001033512206 780698939 /nfs/dbraw/zinc/69/89/39/780698939.db2.gz GKZWSNRSYDQTNN-AWEZNQCLSA-N 0 1 297.402 2.511 20 30 CFEDMN C=CCN1CC[C@@H](N(C)C(=O)Cc2coc3ccccc23)C1 ZINC001033529346 780705045 /nfs/dbraw/zinc/70/50/45/780705045.db2.gz KZYLMLMCGVCHEZ-OAHLLOKOSA-N 0 1 298.386 2.694 20 30 CFEDMN C=CCN1CC[C@H](N(C)C(=O)[C@@H](C)c2ccc(C)cc2)C1 ZINC001033590146 780721823 /nfs/dbraw/zinc/72/18/23/780721823.db2.gz NRAUMAPQCIRFLB-RDJZCZTQSA-N 0 1 286.419 2.817 20 30 CFEDMN C=CCN1CC[C@H](N(C)C(=O)c2cccc(C(F)F)c2)C1 ZINC001033601443 780724388 /nfs/dbraw/zinc/72/43/88/780724388.db2.gz OATSTNXYVDZYBS-AWEZNQCLSA-N 0 1 294.345 2.957 20 30 CFEDMN C#CCN1CC[C@H](N(C)C(=O)c2ccc(C(C)(C)C)cc2)C1 ZINC001033608469 780728305 /nfs/dbraw/zinc/72/83/05/780728305.db2.gz GDXAIXXZTDKTKC-KRWDZBQOSA-N 0 1 298.430 2.764 20 30 CFEDMN C=CCN1CC[C@H](N(C)C(=O)[C@@]2(C)CC=C(C)CC2)C1 ZINC001033677922 780746547 /nfs/dbraw/zinc/74/65/47/780746547.db2.gz FGATXVYLYFUUAF-RDJZCZTQSA-N 0 1 276.424 2.842 20 30 CFEDMN C=CCN1CC[C@@H](N(C)C(=O)[C@@]2(C)CC=C(C)CC2)C1 ZINC001033677923 780746985 /nfs/dbraw/zinc/74/69/85/780746985.db2.gz FGATXVYLYFUUAF-WBVHZDCISA-N 0 1 276.424 2.842 20 30 CFEDMN CC#CCN1CC[C@H](N(C)C(=O)[C@H](C)c2ccccc2C)C1 ZINC001033677919 780747529 /nfs/dbraw/zinc/74/75/29/780747529.db2.gz FFMCXNMZYAXPNV-SJORKVTESA-N 0 1 298.430 2.655 20 30 CFEDMN CC#CCN1CC[C@H](N(C)C(=O)C2(C)C(C)(C)C2(C)C)C1 ZINC001033708236 780756035 /nfs/dbraw/zinc/75/60/35/780756035.db2.gz WGUVQAHBYGGPPG-AWEZNQCLSA-N 0 1 290.451 2.615 20 30 CFEDMN CC#CCN1CC[C@H](N(CC)C(=O)C2C(C)(C)C2(C)C)C1 ZINC001033788619 780787164 /nfs/dbraw/zinc/78/71/64/780787164.db2.gz INRJMSWWHRBICO-AWEZNQCLSA-N 0 1 290.451 2.615 20 30 CFEDMN C=CCN1CC[C@@H](N(CC)C(=O)c2cc(C)cs2)C1 ZINC001033830660 780800362 /nfs/dbraw/zinc/80/03/62/780800362.db2.gz SFYPUWPVBMZWOS-CYBMUJFWSA-N 0 1 278.421 2.779 20 30 CFEDMN C=CCN1CC[C@H](N(CC)C(=O)[C@H]2CC[C@@H]3C[C@@H]3CC2)C1 ZINC001033909747 780824628 /nfs/dbraw/zinc/82/46/28/780824628.db2.gz ZVMLAUSFGPMBFB-YVSFHVDLSA-N 0 1 290.451 2.922 20 30 CFEDMN C=CCN1CC[C@H](N(CC)C(=O)C2CC3(CCC3)C2)C1 ZINC001033927871 780826428 /nfs/dbraw/zinc/82/64/28/780826428.db2.gz UKMBUZRLBNRDAU-HNNXBMFYSA-N 0 1 276.424 2.676 20 30 CFEDMN Cc1nn(C)c(C)c1CNCc1ccc(C)c(C#N)c1 ZINC000701828488 780842754 /nfs/dbraw/zinc/84/27/54/780842754.db2.gz XWBLKLJUCYYSQZ-UHFFFAOYSA-N 0 1 268.364 2.507 20 30 CFEDMN C=CCN1CC[C@H](N(CC)C(=O)c2cccc3[nH]ccc32)C1 ZINC001033962710 780846205 /nfs/dbraw/zinc/84/62/05/780846205.db2.gz YKLYIOHDHJOUCP-AWEZNQCLSA-N 0 1 297.402 2.890 20 30 CFEDMN CC#CCN1CC[C@@H](N(CC)C(=O)c2cc(C)cc(C)c2)C1 ZINC001034026797 780859573 /nfs/dbraw/zinc/85/95/73/780859573.db2.gz VRYYFWWCOIZOMY-GOSISDBHSA-N 0 1 298.430 2.863 20 30 CFEDMN CCOC(=O)c1cc2[nH]c(-c3ccc(C#N)nc3)ccc-2n1 ZINC001241415190 780861158 /nfs/dbraw/zinc/86/11/58/780861158.db2.gz LRWQCFWCQGHRRE-UHFFFAOYSA-N 0 1 292.298 2.673 20 30 CFEDMN C=CC[N@@H+]1CC[C@@H](N(CC)C(=O)c2ccc(CF)cc2)C1 ZINC001034052015 780864382 /nfs/dbraw/zinc/86/43/82/780864382.db2.gz DRPMARWDLHLVLS-MRXNPFEDSA-N 0 1 290.382 2.879 20 30 CFEDMN C=CCN1CC[C@@H](N(CC)C(=O)c2ccc(CF)cc2)C1 ZINC001034052015 780864389 /nfs/dbraw/zinc/86/43/89/780864389.db2.gz DRPMARWDLHLVLS-MRXNPFEDSA-N 0 1 290.382 2.879 20 30 CFEDMN C=CCN1CCCC[C@@H](NC(=O)c2sccc2C)C1 ZINC001034076300 780879131 /nfs/dbraw/zinc/87/91/31/780879131.db2.gz NFYXUCYFLOYHTM-CYBMUJFWSA-N 0 1 278.421 2.827 20 30 CFEDMN CC#CCN1CCCC[C@@H](NC(=O)c2ccc(Cl)o2)C1 ZINC001034104447 780892798 /nfs/dbraw/zinc/89/27/98/780892798.db2.gz JPSNZJZXHJYFKR-GFCCVEGCSA-N 0 1 294.782 2.541 20 30 CFEDMN C#C[C@@H](NCc1csc(C(=O)OC)c1)C(C)(C)C ZINC000702228502 780901742 /nfs/dbraw/zinc/90/17/42/780901742.db2.gz OPJBIZBHGWFITD-GFCCVEGCSA-N 0 1 265.378 2.672 20 30 CFEDMN C#CCN1CCCC[C@H](NC(=O)C(C)(C)C2CCCC2)C1 ZINC001034244329 780932067 /nfs/dbraw/zinc/93/20/67/780932067.db2.gz YBTVELWYROIBLG-INIZCTEOSA-N 0 1 290.451 2.807 20 30 CFEDMN CC#CC[N@H+]1CCCC[C@H](NC(=O)C[C@H]2CC=CCC2)C1 ZINC001034350389 780953454 /nfs/dbraw/zinc/95/34/54/780953454.db2.gz DSQZRGUEKVFCDZ-IRXDYDNUSA-N 0 1 288.435 2.727 20 30 CFEDMN CC#CCN1CCCC[C@H](NC(=O)C[C@H]2CC=CCC2)C1 ZINC001034350389 780953459 /nfs/dbraw/zinc/95/34/59/780953459.db2.gz DSQZRGUEKVFCDZ-IRXDYDNUSA-N 0 1 288.435 2.727 20 30 CFEDMN C=Cc1ccc(C(=O)N[C@H]2CCCCN(CC#CC)C2)cc1 ZINC001034417760 780971214 /nfs/dbraw/zinc/97/12/14/780971214.db2.gz IVSHEYPHXVPYSZ-SFHVURJKSA-N 0 1 296.414 2.937 20 30 CFEDMN C=CC[N@H+]1CCCC[C@@H](NC(=O)c2c[nH]cc2C2CC2)C1 ZINC001034465166 780977230 /nfs/dbraw/zinc/97/72/30/780977230.db2.gz LZXZPODACQBJDY-CQSZACIVSA-N 0 1 287.407 2.662 20 30 CFEDMN C=C(C)C[N@H+]1CCCC[C@@H](NC(=O)c2ccnc(C)c2)C1 ZINC001034452205 780977669 /nfs/dbraw/zinc/97/76/69/780977669.db2.gz BDENKOHXRFYGEH-MRXNPFEDSA-N 0 1 287.407 2.550 20 30 CFEDMN C=CCN1CCCC[C@@H](NC(=O)c2sccc2OC)C1 ZINC001034497767 780983658 /nfs/dbraw/zinc/98/36/58/780983658.db2.gz GPUKFRDILVYYGH-GFCCVEGCSA-N 0 1 294.420 2.527 20 30 CFEDMN CC#CCN1CCCC[C@@H](NC(=O)[C@@H](C)c2ccccc2)C1 ZINC001034494293 780984110 /nfs/dbraw/zinc/98/41/10/780984110.db2.gz VALPEULJAMDBPG-FUHWJXTLSA-N 0 1 298.430 2.784 20 30 CFEDMN CN1CCC=C(c2cnc(C#N)c(C(F)(F)F)c2)C1 ZINC001241571313 780987698 /nfs/dbraw/zinc/98/76/98/780987698.db2.gz XFQASFAKFHJQQD-UHFFFAOYSA-N 0 1 267.254 2.691 20 30 CFEDMN C#CCN1CCCC[C@H](NC(=O)c2c(C)cc(C)cc2C)C1 ZINC001034520616 780992965 /nfs/dbraw/zinc/99/29/65/780992965.db2.gz IEUCZDBLLDAIQI-KRWDZBQOSA-N 0 1 298.430 2.829 20 30 CFEDMN C#CCN1CCCC[C@@H](NC(=O)[C@@H](C)c2ccccc2C)C1 ZINC001034537093 780994174 /nfs/dbraw/zinc/99/41/74/780994174.db2.gz KPUDVFIKBGOHBJ-DLBZAZTESA-N 0 1 298.430 2.702 20 30 CFEDMN COc1ncc(-c2ccc3c(C)[nH]nc3c2)cc1C#N ZINC001241638305 781037428 /nfs/dbraw/zinc/03/74/28/781037428.db2.gz NFVCUQCPLZMNBA-UHFFFAOYSA-N 0 1 264.288 2.814 20 30 CFEDMN COc1cc(-c2ccc3n[nH]c(C)c3c2)ncc1C#N ZINC001241666469 781058513 /nfs/dbraw/zinc/05/85/13/781058513.db2.gz ZKQIQWYBPIMKEL-UHFFFAOYSA-N 0 1 264.288 2.814 20 30 CFEDMN COc1ccnc(-c2ccc3[nH]cnc3c2)c1C#N ZINC001241686185 781072269 /nfs/dbraw/zinc/07/22/69/781072269.db2.gz VVRFNQAGQKZMPM-UHFFFAOYSA-N 0 1 250.261 2.505 20 30 CFEDMN COc1nc(-c2ccc3[nH]cnc3c2)c(F)cc1C#N ZINC001241688630 781073144 /nfs/dbraw/zinc/07/31/44/781073144.db2.gz YKZJVYDFIZPUIA-UHFFFAOYSA-N 0 1 268.251 2.644 20 30 CFEDMN COc1ccc(C#N)c(-c2ccc3[nH]cnc3c2)n1 ZINC001241706261 781085600 /nfs/dbraw/zinc/08/56/00/781085600.db2.gz CCPXVBMVVPRLAZ-UHFFFAOYSA-N 0 1 250.261 2.505 20 30 CFEDMN CC(C)(C)C(=O)N1CCC[C@@H]1CNCc1ccccc1C#N ZINC001035108843 781110364 /nfs/dbraw/zinc/11/03/64/781110364.db2.gz QJDZJJRRDDSINF-MRXNPFEDSA-N 0 1 299.418 2.685 20 30 CFEDMN C#CCN1CC2(C1)CCN(C(=O)C1(C)CCCCC1)CC2 ZINC001035781985 781167989 /nfs/dbraw/zinc/16/79/89/781167989.db2.gz FNNHOHJLEUKMHR-UHFFFAOYSA-N 0 1 288.435 2.514 20 30 CFEDMN CC#CCN1CC2(C1)CCN(C(=O)C1(CC)CCC1)CC2 ZINC001035776878 781171085 /nfs/dbraw/zinc/17/10/85/781171085.db2.gz NQGWWOPRTOTWIW-UHFFFAOYSA-N 0 1 288.435 2.514 20 30 CFEDMN C=CCN1CC2(C1)CCN(C(=O)c1csc(C)c1)CC2 ZINC001035819059 781171897 /nfs/dbraw/zinc/17/18/97/781171897.db2.gz GKSSHBXCWUCFQJ-UHFFFAOYSA-N 0 1 290.432 2.781 20 30 CFEDMN N#CCc1cc(F)ccc1-c1ccc2[nH]nnc2c1 ZINC001241942747 781198643 /nfs/dbraw/zinc/19/86/43/781198643.db2.gz ZUEXCYAPGQDYCV-UHFFFAOYSA-N 0 1 252.252 2.830 20 30 CFEDMN N#CCc1cc(F)ccc1-c1ccc2nn[nH]c2c1 ZINC001241942747 781198648 /nfs/dbraw/zinc/19/86/48/781198648.db2.gz ZUEXCYAPGQDYCV-UHFFFAOYSA-N 0 1 252.252 2.830 20 30 CFEDMN COc1ccc(-c2ccc(F)cc2O)nc1CC#N ZINC001242218089 781333684 /nfs/dbraw/zinc/33/36/84/781333684.db2.gz ZWMSVUQMFHVVKZ-UHFFFAOYSA-N 0 1 258.252 2.668 20 30 CFEDMN C=C(Cl)CN1CC[C@H]2CN(C(=O)C3CC=CC3)CC[C@@H]21 ZINC001036672560 781395736 /nfs/dbraw/zinc/39/57/36/781395736.db2.gz CIGVNNABLKTMDI-GJZGRUSLSA-N 0 1 294.826 2.628 20 30 CFEDMN C=C(Cl)CN1CC[C@@H]2CN(C(=O)C3=CCCC3)CC[C@H]21 ZINC001036684657 781416114 /nfs/dbraw/zinc/41/61/14/781416114.db2.gz LKSGWRLCVBLBJW-HUUCEWRRSA-N 0 1 294.826 2.772 20 30 CFEDMN CC(C)n1nccc1-c1nccc2[nH]cc(C#N)c21 ZINC001242553836 781593710 /nfs/dbraw/zinc/59/37/10/781593710.db2.gz MZJWKDWCZOYKQE-UHFFFAOYSA-N 0 1 251.293 2.879 20 30 CFEDMN CCOC(=O)c1ccc(C#N)c(-c2ccc(O)c(C#N)c2)c1 ZINC001242564959 781603352 /nfs/dbraw/zinc/60/33/52/781603352.db2.gz CTJJOPHRRBPSTB-UHFFFAOYSA-N 0 1 292.294 2.979 20 30 CFEDMN C=C(C)CN1C[C@@H](C)[C@H](NC(=O)c2oc(C)cc2C)C1 ZINC001079543745 781604769 /nfs/dbraw/zinc/60/47/69/781604769.db2.gz QTOPQPMTCAADGT-TZMCWYRMSA-N 0 1 276.380 2.523 20 30 CFEDMN C=CCN1C[C@@H](C)[C@H](NC(=O)c2scc(C)c2Cl)C1 ZINC001079760032 781620511 /nfs/dbraw/zinc/62/05/11/781620511.db2.gz VNFGYPDQRQRKNL-MWLCHTKSSA-N 0 1 298.839 2.946 20 30 CFEDMN C=C(C)CN1C[C@@H](C)[C@H](NC(=O)c2ccc(CC)s2)C1 ZINC001080065134 781633897 /nfs/dbraw/zinc/63/38/97/781633897.db2.gz BMBTWKGLMOMSFP-TZMCWYRMSA-N 0 1 292.448 2.937 20 30 CFEDMN C=C1CC(C)(C(=O)N[C@@H]2CN(C[C@@H](F)CC)C[C@H]2C)C1 ZINC001080406040 781659827 /nfs/dbraw/zinc/65/98/27/781659827.db2.gz MLOVWAIZWNWGEO-HZSPNIEDSA-N 0 1 282.403 2.527 20 30 CFEDMN C=CCN1C[C@@H](C)[C@H](NC(=O)c2ccc3c(c2)C=CCC3)C1 ZINC001080604193 781669064 /nfs/dbraw/zinc/66/90/64/781669064.db2.gz PXNOGMDHTOWZJH-RDTXWAMCSA-N 0 1 296.414 2.882 20 30 CFEDMN C#CCN1C[C@@H](C)[C@H](NC(=O)C[C@@H]2CCCC(C)(C)C2)C1 ZINC001080780777 781676444 /nfs/dbraw/zinc/67/64/44/781676444.db2.gz BTIFANXSTNBVFD-OWCLPIDISA-N 0 1 290.451 2.663 20 30 CFEDMN C#CCN1C[C@@H](C)[C@H](NC(=O)c2ccc(CC(C)C)cc2)C1 ZINC001080914842 781684518 /nfs/dbraw/zinc/68/45/18/781684518.db2.gz ZMRJTVLGVNQURM-CRAIPNDOSA-N 0 1 298.430 2.568 20 30 CFEDMN C#CCN1C[C@@H](C)[C@H](NC(=O)C[C@@H]2CCCCC2(C)C)C1 ZINC001081056213 781698898 /nfs/dbraw/zinc/69/88/98/781698898.db2.gz RALJKOWMYSOQDH-OWCLPIDISA-N 0 1 290.451 2.663 20 30 CFEDMN C=C(Cl)CN[C@@H]1CN(C(=O)[C@@H]2C[C@H]2CCC)C[C@H]1C ZINC001082727269 781740899 /nfs/dbraw/zinc/74/08/99/781740899.db2.gz UQIJYEIGULFKGE-FMKGYKFTSA-N 0 1 284.831 2.612 20 30 CFEDMN Cc1cc(-c2cc3[nH]cnc3c(C#N)n2)ccc1C#N ZINC001242763531 781747406 /nfs/dbraw/zinc/74/74/06/781747406.db2.gz QZCFWZGOWOPPRP-UHFFFAOYSA-N 0 1 259.272 2.677 20 30 CFEDMN C=C(C)CN1CC[C@@H]2CN(C(=O)c3ccccc3C)[C@@H]2C1 ZINC001084163026 781775230 /nfs/dbraw/zinc/77/52/30/781775230.db2.gz FAOGRASLOPBZNP-NVXWUHKLSA-N 0 1 284.403 2.717 20 30 CFEDMN C=C(C)CN1CC[C@@H]2CN(C(=O)C(F)=C3CCCC3)[C@@H]2C1 ZINC001084278058 781785734 /nfs/dbraw/zinc/78/57/34/781785734.db2.gz JHXGIBXWZXVVCM-HUUCEWRRSA-N 0 1 292.398 2.893 20 30 CFEDMN C=CCN1CC[C@@H]2CN(C(=O)[C@@H](C)c3ccsc3)[C@@H]2C1 ZINC001084656259 781816999 /nfs/dbraw/zinc/81/69/99/781816999.db2.gz XHPCWMFMBFTOQZ-GZBFAFLISA-N 0 1 290.432 2.570 20 30 CFEDMN C=CCN1CC[C@@H]2CN(C(=O)C3CCC(F)(F)CC3)[C@@H]2C1 ZINC001084684467 781821132 /nfs/dbraw/zinc/82/11/32/781821132.db2.gz KUZNDIBGNQCCIK-ZIAGYGMSSA-N 0 1 298.377 2.531 20 30 CFEDMN CC#CCN1CC(C)(C)CC[C@@H]1CNC(=O)CCCC ZINC001098910720 781825089 /nfs/dbraw/zinc/82/50/89/781825089.db2.gz NUKWCARWWUVVJG-OAHLLOKOSA-N 0 1 278.440 2.807 20 30 CFEDMN C=CCC[C@@H]([NH2+]Cc1ncc(CSC)s1)C(=O)[O-] ZINC001119602089 781833516 /nfs/dbraw/zinc/83/35/16/781833516.db2.gz PXSNEUILGFQCPW-SNVBAGLBSA-N 0 1 286.422 2.515 20 30 CFEDMN C=CCN1CC[C@@H]2CN(C(=O)[C@@H]3CCCC(C)(C)C3)[C@@H]2C1 ZINC001084858567 781849743 /nfs/dbraw/zinc/84/97/43/781849743.db2.gz IJZCXEWHDFMSQD-BZUAXINKSA-N 0 1 290.451 2.922 20 30 CFEDMN C=CCCC(=O)[C@@H]1CCCN1C(=O)c1cccc2[nH]cnc21 ZINC000820449534 781869201 /nfs/dbraw/zinc/86/92/01/781869201.db2.gz VLSGQIKAKAGGEH-AWEZNQCLSA-N 0 1 297.358 2.703 20 30 CFEDMN COc1nccc(-c2nccc3[nH]cc(C#N)c32)c1OC ZINC001242958275 781876429 /nfs/dbraw/zinc/87/64/29/781876429.db2.gz ZIFKBLVHLSCQOV-UHFFFAOYSA-N 0 1 280.287 2.514 20 30 CFEDMN N#CCC[C@@H](C#N)CNC[C@@H]1CCC2(CCCC2)O1 ZINC000594554432 349446513 /nfs/dbraw/zinc/44/65/13/349446513.db2.gz QVHFFMCAHLRQKS-KBPBESRZSA-N 0 1 261.369 2.511 20 30 CFEDMN COC(=O)c1cc(CNCc2ccc(CC#N)cc2)c(C)o1 ZINC000594607320 349460359 /nfs/dbraw/zinc/46/03/59/349460359.db2.gz SIVDRISQCWGJPV-UHFFFAOYSA-N 0 1 298.342 2.731 20 30 CFEDMN N#CC1(Cn2cc([C@@H](N)c3ccccc3)nn2)CCCCC1 ZINC000594658695 349470083 /nfs/dbraw/zinc/47/00/83/349470083.db2.gz XPFVIIXUQUFQPY-INIZCTEOSA-N 0 1 295.390 2.800 20 30 CFEDMN CCCN1C(=O)N=NC1SCCc1ccc(C#N)cc1 ZINC000594880215 349492500 /nfs/dbraw/zinc/49/25/00/349492500.db2.gz FBWZSHRREKIFTN-UHFFFAOYSA-N 0 1 288.376 2.600 20 30 CFEDMN N#CCC1CN(C[C@H](O)Cc2ccc3ccccc3c2)C1 ZINC000594716726 349479340 /nfs/dbraw/zinc/47/93/40/349479340.db2.gz UQMNOHOVQBXRRD-GOSISDBHSA-N 0 1 280.371 2.589 20 30 CFEDMN CC(C)(NCc1ccccn1)c1cccc(C#N)c1 ZINC000594968443 349534404 /nfs/dbraw/zinc/53/44/04/349534404.db2.gz RYKCKBLBEUUKNG-UHFFFAOYSA-N 0 1 251.333 2.978 20 30 CFEDMN N#Cc1csc(CNC[C@@H]2C[C@H](c3ccccc3)CO2)n1 ZINC000594974617 349536746 /nfs/dbraw/zinc/53/67/46/349536746.db2.gz BTEIQQHRXNHWKS-ZFWWWQNUSA-N 0 1 299.399 2.677 20 30 CFEDMN N#CC1(CNCc2ccccc2-n2cncn2)CCCCC1 ZINC000594995459 349541968 /nfs/dbraw/zinc/54/19/68/349541968.db2.gz QWFHWJMFCPIINI-UHFFFAOYSA-N 0 1 295.390 2.831 20 30 CFEDMN Cc1cc([C@@H](C)NCCc2ccc(C#N)cc2)no1 ZINC000595055175 349566441 /nfs/dbraw/zinc/56/64/41/349566441.db2.gz ABQYEMDSVUFYKK-GFCCVEGCSA-N 0 1 255.321 2.748 20 30 CFEDMN C=CCCSCCN[C@H](C)c1cc2n(n1)CCC2 ZINC000595060550 349571338 /nfs/dbraw/zinc/57/13/38/349571338.db2.gz VGKKMRXAZYYZTA-GFCCVEGCSA-N 0 1 265.426 2.789 20 30 CFEDMN C#CCN(Cc1ccc(F)cc1)C(=O)c1cc(C(C)C)[nH]n1 ZINC000068269954 346844416 /nfs/dbraw/zinc/84/44/16/346844416.db2.gz IPFZMUXINFAIHM-UHFFFAOYSA-N 0 1 299.349 2.948 20 30 CFEDMN CCC[C@H]1CN(CCc2ccc(C#N)cc2)CCO1 ZINC000595394111 349615156 /nfs/dbraw/zinc/61/51/56/349615156.db2.gz DHOXVCFQGZVBDU-INIZCTEOSA-N 0 1 258.365 2.602 20 30 CFEDMN C[C@@H]1CN(CCc2ccc(C#N)cc2)C[C@H](C2CC2)O1 ZINC000595470816 349636826 /nfs/dbraw/zinc/63/68/26/349636826.db2.gz XBBJQCUPHYZVIJ-CXAGYDPISA-N 0 1 270.376 2.600 20 30 CFEDMN N#Cc1ccncc1N1CCN(CCCC2CCC2)CC1 ZINC000595502472 349643668 /nfs/dbraw/zinc/64/36/68/349643668.db2.gz SJKUWALSGKSNOH-UHFFFAOYSA-N 0 1 284.407 2.656 20 30 CFEDMN C[C@H]1C[N@@H+](CCc2ccc(C#N)cc2)CC2(CCC2)O1 ZINC000595566026 349662413 /nfs/dbraw/zinc/66/24/13/349662413.db2.gz FUCOEQYOOULSKP-AWEZNQCLSA-N 0 1 270.376 2.744 20 30 CFEDMN N#CC[C@H]1CCCN(CCOc2cccc([N+](=O)[O-])c2)C1 ZINC000595612637 349676052 /nfs/dbraw/zinc/67/60/52/349676052.db2.gz YXLDBVLUKHPAJA-CYBMUJFWSA-N 0 1 289.335 2.599 20 30 CFEDMN CC[C@@](C)(C#N)C(=O)N1CCN(CCC(C)(C)C)CC1 ZINC000350720475 529488162 /nfs/dbraw/zinc/48/81/62/529488162.db2.gz PTRAXSLNZVEGKY-INIZCTEOSA-N 0 1 279.428 2.507 20 30 CFEDMN COc1ccc(CNC(C)(C)c2cccc(C#N)c2)nc1 ZINC000595641068 349686967 /nfs/dbraw/zinc/68/69/67/349686967.db2.gz YZRGVACXPYLALN-UHFFFAOYSA-N 0 1 281.359 2.987 20 30 CFEDMN Cc1c(-c2cc(CN3CCC[C@@H](CC#N)C3)on2)cnn1C ZINC000595619840 349679478 /nfs/dbraw/zinc/67/94/78/349679478.db2.gz HIBAFTSNORUJAD-ZDUSSCGKSA-N 0 1 299.378 2.509 20 30 CFEDMN CC1(CN2CCN(c3ccsc3C#N)CC2)CCC1 ZINC000595629100 349682579 /nfs/dbraw/zinc/68/25/79/349682579.db2.gz CBGHGUUBHVVECB-UHFFFAOYSA-N 0 1 275.421 2.932 20 30 CFEDMN C=CC[C@H]1CCCN(Cc2n[nH]c(C)c2C(=O)OCC)C1 ZINC000595659790 349693175 /nfs/dbraw/zinc/69/31/75/349693175.db2.gz PHFLCIKJHLJAGM-ZDUSSCGKSA-N 0 1 291.395 2.683 20 30 CFEDMN C=CCN(Cc1ccc(F)c(C#N)c1)[C@H](C)COC ZINC000595647238 349689400 /nfs/dbraw/zinc/68/94/00/349689400.db2.gz NLEOSWXQJCFZRH-GFCCVEGCSA-N 0 1 262.328 2.720 20 30 CFEDMN C[C@H]1COC2(CCC2)CN1CCOc1cccc(C#N)c1 ZINC000595675061 349697144 /nfs/dbraw/zinc/69/71/44/349697144.db2.gz NNUBJUTZWRDCQY-AWEZNQCLSA-N 0 1 286.375 2.580 20 30 CFEDMN C[C@@H](c1cccc(C#N)c1)[N@@H+]1C[C@@H](C)[C@H](O)[C@@H](C)C1 ZINC000595743365 349721430 /nfs/dbraw/zinc/72/14/30/349721430.db2.gz MXTILLWWCZKNJF-RSUWNVLCSA-N 0 1 258.365 2.568 20 30 CFEDMN COc1ccc([C@@H]2CCCN2CCOCCC#N)cc1F ZINC000595752596 349723865 /nfs/dbraw/zinc/72/38/65/349723865.db2.gz NIEOIAOKQULHGM-HNNXBMFYSA-N 0 1 292.354 2.901 20 30 CFEDMN N#Cc1ccc(CC[N@H+]2[C@H](C(=O)[O-])C[C@@H]3CCCC[C@@H]32)cc1 ZINC000595876446 349759958 /nfs/dbraw/zinc/75/99/58/349759958.db2.gz DRBSHHROBCHOBL-ULQDDVLXSA-N 0 1 298.386 2.818 20 30 CFEDMN CC(C)(C)OC(=O)CCCCN1CC[C@](C)(C#N)C1 ZINC000595843253 349753130 /nfs/dbraw/zinc/75/31/30/349753130.db2.gz JRKHKTJTJKRWQZ-OAHLLOKOSA-N 0 1 266.385 2.734 20 30 CFEDMN C[C@H](c1ccccc1)[N@H+]1CC[C@@H](Nc2c(C#N)cnn2C)C1 ZINC000596087462 349791351 /nfs/dbraw/zinc/79/13/51/349791351.db2.gz FSWUYQCZPQGLJX-CZUORRHYSA-N 0 1 295.390 2.539 20 30 CFEDMN C=CC[C@@H](CO)NCc1cccc(F)c1Br ZINC000294986771 199285541 /nfs/dbraw/zinc/28/55/41/199285541.db2.gz GTRIBCDCXJVYOW-JTQLQIEISA-N 0 1 288.160 2.615 20 30 CFEDMN C=CCC(C)(C)C(=O)Nc1nc(-c2ccc(C)o2)n[nH]1 ZINC000295013616 199299547 /nfs/dbraw/zinc/29/95/47/199299547.db2.gz QZOUXVQZVGSHJS-UHFFFAOYSA-N 0 1 274.324 2.914 20 30 CFEDMN C=CCC(F)(F)C(=O)N[C@@H](C)c1n[nH]c([C@@H](C)CC)n1 ZINC000295037372 199313886 /nfs/dbraw/zinc/31/38/86/199313886.db2.gz YALGHMQSDYOKSL-IUCAKERBSA-N 0 1 286.326 2.707 20 30 CFEDMN CCN1C[C@H](C)N(c2nc(C#N)c(Cl)s2)C[C@H]1C ZINC000596177506 349818927 /nfs/dbraw/zinc/81/89/27/349818927.db2.gz MLXZYYRMTNSYJS-BDAKNGLRSA-N 0 1 284.816 2.587 20 30 CFEDMN CCC[N@@H+](CC)C[C@H](C)Nc1nc(C#N)c(Cl)s1 ZINC000596241811 349838038 /nfs/dbraw/zinc/83/80/38/349838038.db2.gz LKLSEDHGOQJCGV-VIFPVBQESA-N 0 1 286.832 2.622 20 30 CFEDMN CCC[N@H+](CC)C[C@H](C)N=c1[n-]c(C#N)c(Cl)s1 ZINC000596241811 349838043 /nfs/dbraw/zinc/83/80/43/349838043.db2.gz LKLSEDHGOQJCGV-VIFPVBQESA-N 0 1 286.832 2.622 20 30 CFEDMN CCC[N@@H+](CC)C[C@H](C)N=c1[n-]c(C#N)c(Cl)s1 ZINC000596241811 349838048 /nfs/dbraw/zinc/83/80/48/349838048.db2.gz LKLSEDHGOQJCGV-VIFPVBQESA-N 0 1 286.832 2.622 20 30 CFEDMN CC(C)(C)c1[nH]n(CCC2(O)CCC2)c(=O)c1CCC#N ZINC000596261541 349846517 /nfs/dbraw/zinc/84/65/17/349846517.db2.gz XAQYTVPLXRZJFG-UHFFFAOYSA-N 0 1 291.395 2.647 20 30 CFEDMN CC[C@H](Nc1nc(C#N)c(Cl)s1)[C@H]1CCCCO1 ZINC000596296989 349855707 /nfs/dbraw/zinc/85/57/07/349855707.db2.gz ORNUQUTXDRKQRS-WCBMZHEXSA-N 0 1 285.800 2.850 20 30 CFEDMN CC(C)(NC[C@@H](O)c1ccc(C#N)cc1)c1nccs1 ZINC000128173216 187355828 /nfs/dbraw/zinc/35/58/28/187355828.db2.gz RTSBSMMVIPAVMY-CYBMUJFWSA-N 0 1 287.388 2.573 20 30 CFEDMN C=C1CCN(C(=O)c2cc(CCCCC)[nH]n2)CC1 ZINC000668303521 539418255 /nfs/dbraw/zinc/41/82/55/539418255.db2.gz KPLPJMBYDINETO-UHFFFAOYSA-N 0 1 261.369 2.935 20 30 CFEDMN C[C@@H](C1CC1)N(C)Cc1nnc(-c2cccc(C#N)c2)o1 ZINC000075614745 347087649 /nfs/dbraw/zinc/08/76/49/347087649.db2.gz ZZAFCRHEHXBYGU-NSHDSACASA-N 0 1 282.347 2.839 20 30 CFEDMN Cc1ccc(C#N)c(NC[C@@H]2CCN2Cc2ccccc2)n1 ZINC000596556346 349941020 /nfs/dbraw/zinc/94/10/20/349941020.db2.gz BDYZACSFXWSZPN-KRWDZBQOSA-N 0 1 292.386 2.948 20 30 CFEDMN C#CCCCN[C@@H](C)c1nc(-c2ccccc2OC)no1 ZINC000273271958 192095177 /nfs/dbraw/zinc/09/51/77/192095177.db2.gz GNLISBGAXOQHSK-LBPRGKRZSA-N 0 1 285.347 2.809 20 30 CFEDMN C=CCN(C(=O)CN(C)[C@@H]1CCSC1)c1ccccc1 ZINC000089937040 539517632 /nfs/dbraw/zinc/51/76/32/539517632.db2.gz SXHFFYLJBBVQBD-OAHLLOKOSA-N 0 1 290.432 2.643 20 30 CFEDMN C=C(C)[C@H](CO)N1CCC[C@H](C(=O)c2ccc(F)cc2)C1 ZINC000677047463 539530862 /nfs/dbraw/zinc/53/08/62/539530862.db2.gz BMWQBBSHLYQZIR-HOCLYGCPSA-N 0 1 291.366 2.657 20 30 CFEDMN Cc1ccnc(NC[C@@H]2CCN2Cc2ccccc2)c1C#N ZINC000596558674 349942023 /nfs/dbraw/zinc/94/20/23/349942023.db2.gz SYPSXHRUCXGPGP-INIZCTEOSA-N 0 1 292.386 2.948 20 30 CFEDMN C[C@H](CC#N)c1nc(-c2ccc(F)c(CN(C)C)c2)no1 ZINC000596582936 349947168 /nfs/dbraw/zinc/94/71/68/349947168.db2.gz PJCDRHPCRANWMV-SNVBAGLBSA-N 0 1 288.326 2.954 20 30 CFEDMN C=CC[C@H]1CCCN(Cc2cc(COC)on2)C1 ZINC000668494386 539535370 /nfs/dbraw/zinc/53/53/70/539535370.db2.gz YPRVUGAATZOCAB-LBPRGKRZSA-N 0 1 250.342 2.609 20 30 CFEDMN C#CCN(C)Cc1ccc(OC(F)F)c(OCC)c1 ZINC000045943889 346417023 /nfs/dbraw/zinc/41/70/23/346417023.db2.gz DJTWOLGUWZTKLC-UHFFFAOYSA-N 0 1 269.291 2.752 20 30 CFEDMN CC1(C)CCCN1Cc1nnc(-c2cccc(C#N)c2)o1 ZINC000075713194 347093533 /nfs/dbraw/zinc/09/35/33/347093533.db2.gz QWYXMLKQAAOTIH-UHFFFAOYSA-N 0 1 282.347 2.983 20 30 CFEDMN C=CCN(Cc1cccs1)C(=O)c1cc(C)[nH]n1 ZINC000054128282 346561260 /nfs/dbraw/zinc/56/12/60/346561260.db2.gz HFMNOYFLNJKQFT-UHFFFAOYSA-N 0 1 261.350 2.608 20 30 CFEDMN C=CCN(Cc1cccs1)C(=O)N[C@@H]1CCCN(C)C1 ZINC000052591523 346525589 /nfs/dbraw/zinc/52/55/89/346525589.db2.gz QDIRSIDRMWTSFP-CYBMUJFWSA-N 0 1 293.436 2.540 20 30 CFEDMN C=C(C)CN(CC)CC(=O)N(CC)Cc1ccccc1 ZINC000052890377 346531736 /nfs/dbraw/zinc/53/17/36/346531736.db2.gz ZNYAXGUFMJEUQL-UHFFFAOYSA-N 0 1 274.408 2.933 20 30 CFEDMN Cc1nc2ccc(NC(=O)CC3(C#N)CCOCC3)cc2[nH]1 ZINC000596695146 349974398 /nfs/dbraw/zinc/97/43/98/349974398.db2.gz QJIGMJWALKAQHI-UHFFFAOYSA-N 0 1 298.346 2.520 20 30 CFEDMN CC(C)N(Cc1cnn(C)c1)Cc1ccc(C#N)cc1 ZINC000055922606 346599696 /nfs/dbraw/zinc/59/96/96/346599696.db2.gz ZWZRXEVWLUBYBY-UHFFFAOYSA-N 0 1 268.364 2.702 20 30 CFEDMN C=CCN(CCC(=O)NC(C)C)Cc1ccccc1F ZINC000056512306 346609975 /nfs/dbraw/zinc/60/99/75/346609975.db2.gz YEZPDTOGVOUXSZ-UHFFFAOYSA-N 0 1 278.371 2.728 20 30 CFEDMN CC(C)CNC(=O)CN(Cc1ccc(C#N)cc1)C(C)C ZINC000060208206 346661321 /nfs/dbraw/zinc/66/13/21/346661321.db2.gz LPECAFDRKAVUAW-UHFFFAOYSA-N 0 1 287.407 2.541 20 30 CFEDMN C=C(C)CN(CC)CC(=O)N(C)Cc1ccccc1OC ZINC000061758548 346682452 /nfs/dbraw/zinc/68/24/52/346682452.db2.gz IWSJYTPPYMVHOO-UHFFFAOYSA-N 0 1 290.407 2.552 20 30 CFEDMN CCCN(CC(=O)NCC#N)[C@H](C)c1cc2ccccc2o1 ZINC000066496478 346765204 /nfs/dbraw/zinc/76/52/04/346765204.db2.gz SAWLXBABANZESB-CYBMUJFWSA-N 0 1 299.374 2.846 20 30 CFEDMN C=C(C)CN(CC)CC(=O)N[C@H](C)c1ccccc1OC ZINC000066560247 346767202 /nfs/dbraw/zinc/76/72/02/346767202.db2.gz AGUCXIFJNDUNLK-CQSZACIVSA-N 0 1 290.407 2.770 20 30 CFEDMN CC(C)(C#N)C(=O)Nc1ccc2nc([C@H]3CCCO3)[nH]c2c1 ZINC000065856928 346742768 /nfs/dbraw/zinc/74/27/68/346742768.db2.gz HOZZKGAJABNQJS-CYBMUJFWSA-N 0 1 298.346 2.903 20 30 CFEDMN CCC(N)=NOCc1ccc(Br)s1 ZINC000067385523 346800797 /nfs/dbraw/zinc/80/07/97/346800797.db2.gz RBZVKJZVJOOCCS-UHFFFAOYSA-N 0 1 263.160 2.709 20 30 CFEDMN C=CCCCN(C)C(=O)NC[C@H](c1ccsc1)N(C)C ZINC000076946169 347161329 /nfs/dbraw/zinc/16/13/29/347161329.db2.gz UZDJNUZPYZZBJB-CQSZACIVSA-N 0 1 295.452 2.958 20 30 CFEDMN CN1CCC(C#N)(NC(=O)c2ccc3ccccc3c2)CC1 ZINC000077038061 347165343 /nfs/dbraw/zinc/16/53/43/347165343.db2.gz DCSSXOBABCDGRL-UHFFFAOYSA-N 0 1 293.370 2.558 20 30 CFEDMN C=CCCOCCN[C@@H](C)c1cccnc1Cl ZINC000090883724 347560402 /nfs/dbraw/zinc/56/04/02/347560402.db2.gz FGZLUFSAVGRRAL-NSHDSACASA-N 0 1 254.761 2.978 20 30 CFEDMN C=CCCC[C@H](C)N1CCN(c2nc(C)ns2)CC1 ZINC000091514687 347591470 /nfs/dbraw/zinc/59/14/70/347591470.db2.gz DVCBXUJDFFCUEC-LBPRGKRZSA-N 0 1 280.441 2.713 20 30 CFEDMN CCO[C@@H]1CCCN(Cc2ccc(C#N)cc2OC)C1 ZINC000121013317 347809564 /nfs/dbraw/zinc/80/95/64/347809564.db2.gz UGUOMXUOFQMKPH-OAHLLOKOSA-N 0 1 274.364 2.568 20 30 CFEDMN C=C[C@H](CC(=O)N1CCN(C)CC1(C)C)c1ccccc1 ZINC000270862471 190845545 /nfs/dbraw/zinc/84/55/45/190845545.db2.gz AHVKPMOVTDHODN-OAHLLOKOSA-N 0 1 286.419 2.899 20 30 CFEDMN CC[C@H]1CO[C@H](C)CN1Cc1ccc(C#N)cc1C ZINC000165451628 348039226 /nfs/dbraw/zinc/03/92/26/348039226.db2.gz RACXUWDGLJPHPX-CJNGLKHVSA-N 0 1 258.365 2.866 20 30 CFEDMN CC(C)(CCC#N)CN1CCN(C(=O)c2ccccc2)CC1 ZINC000178858355 348120650 /nfs/dbraw/zinc/12/06/50/348120650.db2.gz NFIXSQKWWBSDSG-UHFFFAOYSA-N 0 1 299.418 2.774 20 30 CFEDMN C[C@@](CO)(NCc1ccc(C#N)s1)c1ccccc1 ZINC000226266378 348182831 /nfs/dbraw/zinc/18/28/31/348182831.db2.gz PXJXZDKGPVMXPJ-HNNXBMFYSA-N 0 1 272.373 2.617 20 30 CFEDMN Cc1ccccc1C[N@@H+]1CCCN(C(=O)[C@H](C)CC#N)CC1 ZINC000596788072 349990225 /nfs/dbraw/zinc/99/02/25/349990225.db2.gz NZHYXGIKAVIXAP-MRXNPFEDSA-N 0 1 299.418 2.579 20 30 CFEDMN C=CC[C@H](C)[NH+]=C([O-])N[C@H]1CCc2cnn(C(C)C)c2C1 ZINC000331098080 348443156 /nfs/dbraw/zinc/44/31/56/348443156.db2.gz NCUMSYMCEVRPKJ-JSGCOSHPSA-N 0 1 290.411 2.790 20 30 CFEDMN C=CC[C@H](C)NC([O-])=[NH+][C@H]1CCc2cnn(C(C)C)c2C1 ZINC000331098080 348443160 /nfs/dbraw/zinc/44/31/60/348443160.db2.gz NCUMSYMCEVRPKJ-JSGCOSHPSA-N 0 1 290.411 2.790 20 30 CFEDMN C=CCNC(=O)[C@H](C)N[C@@H](c1ccccn1)C1CCCC1 ZINC000367729789 348514981 /nfs/dbraw/zinc/51/49/81/348514981.db2.gz PZLARJMDWKADJT-XJKSGUPXSA-N 0 1 287.407 2.593 20 30 CFEDMN C[C@H](C#N)C(=O)N1C[C@H](C)N(Cc2ccccc2)[C@H](C)[C@@H]1C ZINC000404358306 348591336 /nfs/dbraw/zinc/59/13/36/348591336.db2.gz MQSZGDBZLLFBAX-QXSJWSMHSA-N 0 1 299.418 2.656 20 30 CFEDMN C[C@H](C#N)C(=O)N1C[C@H](C)N(Cc2ccccc2)[C@H](C)[C@H]1C ZINC000404358304 348591678 /nfs/dbraw/zinc/59/16/78/348591678.db2.gz MQSZGDBZLLFBAX-QKPAOTATSA-N 0 1 299.418 2.656 20 30 CFEDMN N#CCCCCCC(=O)Nc1cccc(-c2nnc[nH]2)c1 ZINC000588364269 348786657 /nfs/dbraw/zinc/78/66/57/348786657.db2.gz YFTBDRUHGCYNIU-UHFFFAOYSA-N 0 1 283.335 2.884 20 30 CFEDMN CC[C@@H](C)c1nc([C@H](C)NC(=O)CCCCCC#N)n[nH]1 ZINC000588720729 348793053 /nfs/dbraw/zinc/79/30/53/348793053.db2.gz YEVFESDFZVPZRO-NEPJUHHUSA-N 0 1 291.399 2.969 20 30 CFEDMN Cc1ccnc(CN(C)CCOCc2ccc(C#N)cc2)c1 ZINC000588978909 348807290 /nfs/dbraw/zinc/80/72/90/348807290.db2.gz XJUVENFMVXEVMZ-UHFFFAOYSA-N 0 1 295.386 2.910 20 30 CFEDMN C[NH+](C)Cc1ccccc1NC(=O)c1cc([O-])cc(C#N)c1 ZINC000589168508 348815454 /nfs/dbraw/zinc/81/54/54/348815454.db2.gz UHRODMJKMZPMLM-UHFFFAOYSA-N 0 1 295.342 2.578 20 30 CFEDMN N#Cc1ccc(CN2CCC(c3cccnc3)CC2)o1 ZINC000589196706 348818899 /nfs/dbraw/zinc/81/88/99/348818899.db2.gz UYSNEPUCDRZIJM-UHFFFAOYSA-N 0 1 267.332 2.926 20 30 CFEDMN CCOC(=O)c1ccc(CN[C@@H]2CCC[C@H](C#N)C2)o1 ZINC000589196917 348819182 /nfs/dbraw/zinc/81/91/82/348819182.db2.gz GNRBGQHPEPRWHQ-NWDGAFQWSA-N 0 1 276.336 2.628 20 30 CFEDMN C=Cn1cc(CN(C)CCOCc2ccc(C#N)cc2)cn1 ZINC000589210602 348820702 /nfs/dbraw/zinc/82/07/02/348820702.db2.gz GWINWMVOYFIAEK-UHFFFAOYSA-N 0 1 296.374 2.504 20 30 CFEDMN CCCCCNC(=O)CN[C@H](C)c1cccc(C#N)c1 ZINC000591022996 348979208 /nfs/dbraw/zinc/97/92/08/348979208.db2.gz PBAFYRVBALYBLA-CYBMUJFWSA-N 0 1 273.380 2.515 20 30 CFEDMN C[C@@H](NCC(=O)N1CCCC[C@@H]1C)c1cccc(C#N)c1 ZINC000591022988 348979505 /nfs/dbraw/zinc/97/95/05/348979505.db2.gz NYEGTDYTJVPTIU-UONOGXRCSA-N 0 1 285.391 2.610 20 30 CFEDMN Cc1n[nH]cc1[C@@H](C)NCc1ccc(C#N)c(F)c1 ZINC000590780068 348948825 /nfs/dbraw/zinc/94/88/25/348948825.db2.gz LYDNDUXSANCXFG-SECBINFHSA-N 0 1 258.300 2.580 20 30 CFEDMN N#CCCN[C@@H]1CCCN(c2ccccc2Cl)C1 ZINC000591742338 349041185 /nfs/dbraw/zinc/04/11/85/349041185.db2.gz QEZQOLUYZCBKJP-GFCCVEGCSA-N 0 1 263.772 2.812 20 30 CFEDMN CC(C)(C#N)CNCCC(=O)Nc1cccc(Cl)c1 ZINC000591759335 349042230 /nfs/dbraw/zinc/04/22/30/349042230.db2.gz ICWKTJSRDZTMJY-UHFFFAOYSA-N 0 1 279.771 2.808 20 30 CFEDMN COCC#CCN1CCCC[C@H]1CCC(=O)OC(C)(C)C ZINC000591849916 349051216 /nfs/dbraw/zinc/05/12/16/349051216.db2.gz YMQKESOCGZMSSP-HNNXBMFYSA-N 0 1 295.423 2.613 20 30 CFEDMN CN1CCCC[C@@H]1C(=O)N[C@@H]1CCCc2cc(C#N)ccc21 ZINC000591322956 349009460 /nfs/dbraw/zinc/00/94/60/349009460.db2.gz ZJBHTOPMXQIOGS-IAGOWNOFSA-N 0 1 297.402 2.536 20 30 CFEDMN N#Cc1ccc2nc(NCC3(C#N)CCC3)ccc2c1 ZINC000591370999 349013164 /nfs/dbraw/zinc/01/31/64/349013164.db2.gz NAAYCQLRLPFYID-UHFFFAOYSA-N 0 1 262.316 2.634 20 30 CFEDMN N#Cc1ccc(CN2CC(C3CCOCC3)C2)cc1F ZINC000591503316 349027605 /nfs/dbraw/zinc/02/76/05/349027605.db2.gz ZKAIJWMOPNECJC-UHFFFAOYSA-N 0 1 274.339 2.556 20 30 CFEDMN N#Cc1ccccc1N1CCN(CC2=CCCC2)CC1 ZINC000592066967 349078423 /nfs/dbraw/zinc/07/84/23/349078423.db2.gz YVKWCBVERIVFNO-UHFFFAOYSA-N 0 1 267.376 2.791 20 30 CFEDMN CC(C)O[C@@H]1C[C@@H](NCc2ccncc2C#N)C1(C)C ZINC000592124804 349086727 /nfs/dbraw/zinc/08/67/27/349086727.db2.gz HIXLKMQBDMYQQF-HUUCEWRRSA-N 0 1 273.380 2.635 20 30 CFEDMN C[C@]12CN(Cc3ccncc3C#N)C[C@@H]1[C@@H]1CC[C@H]2C1 ZINC000592124363 349086756 /nfs/dbraw/zinc/08/67/56/349086756.db2.gz DOGJMYAILGIJBD-VJUNAUMWSA-N 0 1 267.376 2.821 20 30 CFEDMN N#Cc1ccc(/C=C/c2nc([C@@H]3CCCN3)no2)cc1 ZINC000592357125 349107566 /nfs/dbraw/zinc/10/75/66/349107566.db2.gz QLSATMNBKDNOEC-GWJCSSMESA-N 0 1 266.304 2.536 20 30 CFEDMN N#C[C@H](CCc1ccccc1)c1nc([C@H]2CCCN2)no1 ZINC000592356361 349107616 /nfs/dbraw/zinc/10/76/16/349107616.db2.gz OTZOHRPIBIASAS-UONOGXRCSA-N 0 1 282.347 2.734 20 30 CFEDMN N#CC[C@@]1(O)CCN([C@@H]2CCc3c2cccc3Cl)C1 ZINC000592151285 349091840 /nfs/dbraw/zinc/09/18/40/349091840.db2.gz LHSNLHCLEXGYJZ-HUUCEWRRSA-N 0 1 276.767 2.678 20 30 CFEDMN N#CCn1c(-c2nc([C@@H]3CCCN3)no2)cc2ccccc21 ZINC000592356980 349108109 /nfs/dbraw/zinc/10/81/09/349108109.db2.gz OKBJUSWTCICSRR-LBPRGKRZSA-N 0 1 293.330 2.639 20 30 CFEDMN CC1(CNC([O-])=[NH+][C@@H]2CCC[C@@H]2C#N)Cc2ccccc2C1 ZINC000329678758 539719885 /nfs/dbraw/zinc/71/98/85/539719885.db2.gz VSRDWWKMHGYRLI-HZPDHXFCSA-N 0 1 297.402 2.987 20 30 CFEDMN CC1(C[NH+]=C([O-])N[C@@H]2CCC[C@@H]2C#N)Cc2ccccc2C1 ZINC000329678758 539719888 /nfs/dbraw/zinc/71/98/88/539719888.db2.gz VSRDWWKMHGYRLI-HZPDHXFCSA-N 0 1 297.402 2.987 20 30 CFEDMN CC(C)(C)n1nc(C(=O)NCc2cnc[nH]2)cc1C1CC1 ZINC000329695679 539721018 /nfs/dbraw/zinc/72/10/18/539721018.db2.gz BOIPNUAVTAIONS-UHFFFAOYSA-N 0 1 287.367 2.743 20 30 CFEDMN CO[C@@H](C)CN(Cc1ccc(C#N)cc1[N+](=O)[O-])C(C)C ZINC000593014958 349187254 /nfs/dbraw/zinc/18/72/54/349187254.db2.gz VZUBBDZNJZYMNC-LBPRGKRZSA-N 0 1 291.351 2.712 20 30 CFEDMN CC[C@@H]1CN(CCCC2(C#N)CCOCC2)[C@@H](C)CO1 ZINC000593063776 349199090 /nfs/dbraw/zinc/19/90/90/349199090.db2.gz WQNBVZYMPKYHGH-LSDHHAIUSA-N 0 1 280.412 2.586 20 30 CFEDMN C[C@H](CO)C1CCN(Cc2ccc(F)c(C#N)c2)CC1 ZINC000593082942 349204846 /nfs/dbraw/zinc/20/48/46/349204846.db2.gz JIKHJTFZZFUJHM-GFCCVEGCSA-N 0 1 276.355 2.538 20 30 CFEDMN CC[C@H](C#N)C(=O)Nc1ccc2nc(C(F)F)[nH]c2c1 ZINC000593562395 349292817 /nfs/dbraw/zinc/29/28/17/349292817.db2.gz UYMHFMSJKXUWHP-SSDOTTSWSA-N 0 1 278.262 2.989 20 30 CFEDMN N#Cc1ccc(C2(NCC(=O)N3CCCCC3)CCC2)cc1 ZINC000594032828 349357241 /nfs/dbraw/zinc/35/72/41/349357241.db2.gz RDDJGUWZVGGYIM-UHFFFAOYSA-N 0 1 297.402 2.540 20 30 CFEDMN CC(C#N)C(=O)NC1(C(=O)OC(C)(C)C)CCCCCC1 ZINC000593810555 349329272 /nfs/dbraw/zinc/32/92/72/349329272.db2.gz HIEITXYUHBBSMD-GFCCVEGCSA-N 0 1 294.395 2.697 20 30 CFEDMN CN(CCCC#N)Cc1ccc2c(c1)OC(F)(F)O2 ZINC000594034301 349358559 /nfs/dbraw/zinc/35/85/59/349358559.db2.gz ARZIBCPFSSKSKM-UHFFFAOYSA-N 0 1 268.263 2.744 20 30 CFEDMN CCO[C@@H]1C[C@H](NCC2(C#N)CCCC2)[C@@H]1SC ZINC000593654561 349305259 /nfs/dbraw/zinc/30/52/59/349305259.db2.gz IAOCSXPZBZPFNK-XQQFMLRXSA-N 0 1 268.426 2.569 20 30 CFEDMN Cn1ccnc1[C@H](Cc1ccccc1)N[C@@H]1CC[C@@H](C#N)C1 ZINC000593678458 349308709 /nfs/dbraw/zinc/30/87/09/349308709.db2.gz LAEFEWBLUDAQMM-ZACQAIPSSA-N 0 1 294.402 2.986 20 30 CFEDMN COCC1(CN2Cc3ccc(C#N)cc3C2)CCC1 ZINC000594028653 349356527 /nfs/dbraw/zinc/35/65/27/349356527.db2.gz SBJUIHDRZMFZJY-UHFFFAOYSA-N 0 1 256.349 2.691 20 30 CFEDMN N#CC1(CNC(=O)c2cc(F)cc3nc[nH]c32)CCCC1 ZINC000593782732 349325811 /nfs/dbraw/zinc/32/58/11/349325811.db2.gz QXGNNVOTWPFFPX-UHFFFAOYSA-N 0 1 286.310 2.516 20 30 CFEDMN CCOC(=O)CCN(Cc1cc(F)ccc1C#N)C(C)C ZINC000594052286 349363877 /nfs/dbraw/zinc/36/38/77/349363877.db2.gz VLMVGYZPIDGKNL-UHFFFAOYSA-N 0 1 292.354 2.861 20 30 CFEDMN N#CC1(c2ccc(CN3CCOC4(CCC4)C3)cc2)CC1 ZINC000597012415 350015862 /nfs/dbraw/zinc/01/58/62/350015862.db2.gz TWIVWGJMERESEI-UHFFFAOYSA-N 0 1 282.387 2.997 20 30 CFEDMN C[N@@H+](Cc1ccc(C2(C#N)CC2)cc1)[C@@H]1CCCOC1 ZINC000597127399 350033798 /nfs/dbraw/zinc/03/37/98/350033798.db2.gz GFGFQBDRRYWJSC-MRXNPFEDSA-N 0 1 270.376 2.853 20 30 CFEDMN COc1ccsc1CN1CCC[C@@H](CC#N)C1 ZINC000597175808 350044536 /nfs/dbraw/zinc/04/45/36/350044536.db2.gz FAUBOIHLSJXMKW-NSHDSACASA-N 0 1 250.367 2.882 20 30 CFEDMN Cn1cc(CN2CCC[C@H](CC#N)C2)c(-c2cccnc2)n1 ZINC000597174338 350044632 /nfs/dbraw/zinc/04/46/32/350044632.db2.gz PBLMJVINOACWAH-CQSZACIVSA-N 0 1 295.390 2.608 20 30 CFEDMN C[C@H](CC#N)C(=O)Nc1cccc2c1OCC[C@H]2N(C)C ZINC000597581796 350113016 /nfs/dbraw/zinc/11/30/16/350113016.db2.gz OZFJQXSBWYWMKE-BXUZGUMPSA-N 0 1 287.363 2.560 20 30 CFEDMN Cc1cc2[nH]ncc2cc1NC(=O)CC1(C#N)CCOCC1 ZINC000597553325 350110364 /nfs/dbraw/zinc/11/03/64/350110364.db2.gz QWZYIQMSMBBTNQ-UHFFFAOYSA-N 0 1 298.346 2.520 20 30 CFEDMN N#CC(C(=O)[C@H]1CCCC12CC2)c1nnc2n1CCCCC2 ZINC000528926872 383678217 /nfs/dbraw/zinc/67/82/17/383678217.db2.gz GSUYYODWMUIZCX-QWHCGFSZSA-N 0 1 298.390 2.761 20 30 CFEDMN C=CCN(CCC#N)C(=O)c1cc(CCCCC)[nH]n1 ZINC000597683591 350123384 /nfs/dbraw/zinc/12/33/84/350123384.db2.gz IUYSYACUQWIARF-UHFFFAOYSA-N 0 1 274.368 2.684 20 30 CFEDMN Cc1n[nH]c(C(C)C)c1C(=O)NCCc1ccc(C#N)cc1 ZINC000597889150 350149242 /nfs/dbraw/zinc/14/92/42/350149242.db2.gz FOIQLAOOPJLZLL-UHFFFAOYSA-N 0 1 296.374 2.686 20 30 CFEDMN Cc1nc2c(cccc2C(=O)N2CCC[C@H](CC#N)C2)[nH]1 ZINC000597903093 350152844 /nfs/dbraw/zinc/15/28/44/350152844.db2.gz GUINWZTZXGNFSP-GFCCVEGCSA-N 0 1 282.347 2.637 20 30 CFEDMN CCN(C)[C@H](C(=O)N1CCC[C@H](CC#N)C1)c1ccccc1 ZINC000597913974 350156791 /nfs/dbraw/zinc/15/67/91/350156791.db2.gz SKHJQRZKPIJVFE-WBVHZDCISA-N 0 1 299.418 2.832 20 30 CFEDMN CCN(C)[C@@H](C(=O)N1CCC[C@@H](CC#N)C1)c1ccccc1 ZINC000597913971 350156820 /nfs/dbraw/zinc/15/68/20/350156820.db2.gz SKHJQRZKPIJVFE-DOTOQJQBSA-N 0 1 299.418 2.832 20 30 CFEDMN Cc1cc(C#N)ccc1-c1nc(C2(N)CCCC2)no1 ZINC000414625949 233306925 /nfs/dbraw/zinc/30/69/25/233306925.db2.gz XPBNIULHUUOQIB-UHFFFAOYSA-N 0 1 268.320 2.645 20 30 CFEDMN N#Cc1ccc(/C=C/c2nc(C3(N)CCCC3)no2)cc1 ZINC000414627125 233307011 /nfs/dbraw/zinc/30/70/11/233307011.db2.gz YYWMQTDPCPOGFI-BQYQJAHWSA-N 0 1 280.331 2.840 20 30 CFEDMN C[C@@H](C#N)N(C(=O)c1cc(-c2ccccc2)[nH]n1)C1CC1 ZINC000598125979 350202461 /nfs/dbraw/zinc/20/24/61/350202461.db2.gz AGVUUQYNLSSUST-NSHDSACASA-N 0 1 280.331 2.593 20 30 CFEDMN N#CC1(CNC(=O)c2n[nH]c3ccccc32)CCCCC1 ZINC000598304266 350230787 /nfs/dbraw/zinc/23/07/87/350230787.db2.gz JWBVZCPCBQEYIU-UHFFFAOYSA-N 0 1 282.347 2.767 20 30 CFEDMN CCN(C(=O)c1cc(C2CCCCC2)[nH]n1)[C@@H](C)C#N ZINC000598359490 350248073 /nfs/dbraw/zinc/24/80/73/350248073.db2.gz VLKRJPAFNLOGSR-NSHDSACASA-N 0 1 274.368 2.832 20 30 CFEDMN COCC#CCN1CCC(c2ccccc2F)CC1 ZINC000677816897 539788610 /nfs/dbraw/zinc/78/86/10/539788610.db2.gz DESFGZKNUZGVKZ-UHFFFAOYSA-N 0 1 261.340 2.655 20 30 CFEDMN C[C@]1(C#N)CCN(C(=O)C(C#N)CCc2ccccc2)C1 ZINC000598415701 350263328 /nfs/dbraw/zinc/26/33/28/350263328.db2.gz VDRODQTYATWCDR-DOTOQJQBSA-N 0 1 281.359 2.521 20 30 CFEDMN COCC#CCSc1nc(C=Cc2ccc(C)o2)n[nH]1 ZINC000677806956 539787463 /nfs/dbraw/zinc/78/74/63/539787463.db2.gz VTUVBJZPJUYOFG-BQYQJAHWSA-N 0 1 289.360 2.618 20 30 CFEDMN CC(C)(C#N)C[C@H](O)CN1CC[C@](F)(c2ccccc2)C1 ZINC000598622143 350295837 /nfs/dbraw/zinc/29/58/37/350295837.db2.gz YHCBSEKLDJFKMR-DOTOQJQBSA-N 0 1 290.382 2.858 20 30 CFEDMN C=C(C)CN(C)Cc1cc(C(=O)OC)c2n1CCCC2 ZINC000598672650 350306331 /nfs/dbraw/zinc/30/63/31/350306331.db2.gz BGIOEZMLVDZJAZ-UHFFFAOYSA-N 0 1 276.380 2.619 20 30 CFEDMN Cc1nc(C)c(C(=O)Nc2ccc(OC(C)C)c(C#N)c2)[nH]1 ZINC000598690736 350310908 /nfs/dbraw/zinc/31/09/08/350310908.db2.gz HZRFDURCEKCDKD-UHFFFAOYSA-N 0 1 298.346 2.938 20 30 CFEDMN CC(C)(C#N)C[C@H](O)CN1CC2(CCC2)[C@H]1c1ccncc1 ZINC000598705473 350314320 /nfs/dbraw/zinc/31/43/20/350314320.db2.gz KFIFHJNACPNZNG-JKSUJKDBSA-N 0 1 299.418 2.909 20 30 CFEDMN CC(C)(C#N)C[C@@H](O)CNCc1coc(-c2ccccc2)n1 ZINC000598719694 350317094 /nfs/dbraw/zinc/31/70/94/350317094.db2.gz JSLAOUBWRPYJPL-OAHLLOKOSA-N 0 1 299.374 2.732 20 30 CFEDMN COc1cccc(F)c1[C@@H](C)NC[C@@H](O)CC(C)(C)C#N ZINC000598600205 350291257 /nfs/dbraw/zinc/29/12/57/350291257.db2.gz ICZQEBAFDYVSPO-NEPJUHHUSA-N 0 1 294.370 2.786 20 30 CFEDMN COCCC1CCN(Cc2cc(C#N)ccc2F)CC1 ZINC000599504472 350446800 /nfs/dbraw/zinc/44/68/00/350446800.db2.gz MSYZTAUCSHSHFZ-UHFFFAOYSA-N 0 1 276.355 2.946 20 30 CFEDMN N#Cc1ccc(OCCN2CCc3c(O)cccc3C2)cc1 ZINC000599647021 350472313 /nfs/dbraw/zinc/47/23/13/350472313.db2.gz OGOOQCGCWPQDSP-UHFFFAOYSA-N 0 1 294.354 2.701 20 30 CFEDMN C/C=C/C[C@@H]1CCCN([C@H](C(N)=O)c2ccc(C#N)cc2)C1 ZINC000599689277 350483206 /nfs/dbraw/zinc/48/32/06/350483206.db2.gz IMOZFPJPPLQVBI-LUQLLCLNSA-N 0 1 297.402 2.763 20 30 CFEDMN CN(Cc1cn2ccccc2c1C#N)C[C@@H]1CCCOC1 ZINC000107688469 186186189 /nfs/dbraw/zinc/18/61/89/186186189.db2.gz DTXYEASISDVABA-AWEZNQCLSA-N 0 1 283.375 2.669 20 30 CFEDMN CCC(CC)c1cc(CNC[C@H](O)CC2(C#N)CC2)on1 ZINC000600727619 350602123 /nfs/dbraw/zinc/60/21/23/350602123.db2.gz YLMIOEDWADDNJC-CYBMUJFWSA-N 0 1 291.395 2.723 20 30 CFEDMN CCN1[C@H](C)CN(C(=O)CC2(C#N)CCCCC2)C[C@@H]1C ZINC000600863420 350620563 /nfs/dbraw/zinc/62/05/63/350620563.db2.gz MTSHVNFLCWRLRW-GASCZTMLSA-N 0 1 291.439 2.792 20 30 CFEDMN Cc1ccc2nc(CNC(=O)C3(C#N)CC4(CC4)C3)[nH]c2c1 ZINC000601267118 350713360 /nfs/dbraw/zinc/71/33/60/350713360.db2.gz HAEMAUPWRUEPOY-UHFFFAOYSA-N 0 1 294.358 2.572 20 30 CFEDMN C[C@@H]1CN(C)[C@@H](C)CN1c1ncc(C#N)c2ccsc21 ZINC000601137344 350679234 /nfs/dbraw/zinc/67/92/34/350679234.db2.gz WIVVPMIVEKEIIT-WDEREUQCSA-N 0 1 286.404 2.697 20 30 CFEDMN CN1CCN(c2ncc(C#N)c3ccsc32)CC1(C)C ZINC000601186345 350691526 /nfs/dbraw/zinc/69/15/26/350691526.db2.gz MXXLDJNODBBXSL-UHFFFAOYSA-N 0 1 286.404 2.698 20 30 CFEDMN CNc1ccc(C#N)cc1NC(=O)c1cn[nH]c1C(C)C ZINC000601541719 350737934 /nfs/dbraw/zinc/73/79/34/350737934.db2.gz JXPAIYQOPRPYHU-UHFFFAOYSA-N 0 1 283.335 2.699 20 30 CFEDMN Cc1[nH]ncc1C1CCN(C(=O)C2(C#N)CC3(CC3)C2)CC1 ZINC000601567224 350741193 /nfs/dbraw/zinc/74/11/93/350741193.db2.gz XBQXYDVHVBVDLV-UHFFFAOYSA-N 0 1 298.390 2.508 20 30 CFEDMN CCc1cc(=O)n(-c2cc(C#N)ccc2Br)[nH]1 ZINC000601946579 350814688 /nfs/dbraw/zinc/81/46/88/350814688.db2.gz CTFIAHDRPBZSSL-UHFFFAOYSA-N 0 1 292.136 2.823 20 30 CFEDMN Cc1[nH]n(-c2ccc(C#N)c(Cl)c2)c(=O)c1C1CC1 ZINC000601948768 350815006 /nfs/dbraw/zinc/81/50/06/350815006.db2.gz LCTKAGGYMCFDRD-CYBMUJFWSA-N 0 1 273.723 2.960 20 30 CFEDMN Cc1[nH]n(-c2cc(F)c(F)c(F)c2)c(=O)c1CCC#N ZINC000601951119 350816910 /nfs/dbraw/zinc/81/69/10/350816910.db2.gz ZLWJGNBCGKDCQW-SECBINFHSA-N 0 1 281.237 2.746 20 30 CFEDMN Cc1[nH]n(-c2cc(F)ccc2C)c(=O)c1CCC#N ZINC000601950078 350816959 /nfs/dbraw/zinc/81/69/59/350816959.db2.gz UBBJCUBQFDPFJI-LBPRGKRZSA-N 0 1 259.284 2.777 20 30 CFEDMN Cc1cc2c[nH]nc2c(C(=O)N(C)[C@@H]2CCC[C@@H]2C#N)c1 ZINC000601810708 350781592 /nfs/dbraw/zinc/78/15/92/350781592.db2.gz OXCJAUSWYYBBJN-BXUZGUMPSA-N 0 1 282.347 2.636 20 30 CFEDMN Cc1nc2c(cccc2C(=O)N(C)[C@H]2CCC[C@H]2C#N)[nH]1 ZINC000601817309 350784320 /nfs/dbraw/zinc/78/43/20/350784320.db2.gz MJOZAUKFDKFHLV-FZMZJTMJSA-N 0 1 282.347 2.636 20 30 CFEDMN CN(C(=O)C(C#N)CCc1ccccc1)[C@@H]1CCC[C@@H]1C#N ZINC000601824387 350787130 /nfs/dbraw/zinc/78/71/30/350787130.db2.gz ZAVQJQKXPLWTJW-IXDOHACOSA-N 0 1 295.386 2.910 20 30 CFEDMN Cc1cc(C#N)ccc1CN1CCO[C@@H](C(F)F)CC1 ZINC000601975122 350822641 /nfs/dbraw/zinc/82/26/41/350822641.db2.gz LQIOGYVILHINQZ-CQSZACIVSA-N 0 1 280.318 2.723 20 30 CFEDMN CCC(C#N)(CC)c1nc([C@H](N)CC(C)C)no1 ZINC000601925424 350803501 /nfs/dbraw/zinc/80/35/01/350803501.db2.gz MVJOADPKPJGYBY-SNVBAGLBSA-N 0 1 250.346 2.697 20 30 CFEDMN C[C@H](CC#N)N1N=C(c2ccc(Cl)cc2)CC1=O ZINC000601935674 350807398 /nfs/dbraw/zinc/80/73/98/350807398.db2.gz LMRCXIDPMZHYOM-SECBINFHSA-N 0 1 261.712 2.579 20 30 CFEDMN N#Cc1c(F)cccc1CN[C@H]1CCCc2cn[nH]c21 ZINC000602010537 350829874 /nfs/dbraw/zinc/82/98/74/350829874.db2.gz FBHCAQBTXJDGBY-AWEZNQCLSA-N 0 1 270.311 2.588 20 30 CFEDMN N#Cc1c(F)cccc1CN[C@H]1CCC(F)(F)C1 ZINC000602010794 350830280 /nfs/dbraw/zinc/83/02/80/350830280.db2.gz DRQRNHSSJGAZRK-JTQLQIEISA-N 0 1 254.255 2.975 20 30 CFEDMN CO[C@](C)(CNCc1cccc(F)c1C#N)C1CC1 ZINC000602026446 350834951 /nfs/dbraw/zinc/83/49/51/350834951.db2.gz WHFZBVZZPXQQCJ-OAHLLOKOSA-N 0 1 262.328 2.602 20 30 CFEDMN CCCCOCCCNCc1cccc(F)c1C#N ZINC000601996151 350825750 /nfs/dbraw/zinc/82/57/50/350825750.db2.gz HMIBTRFOIWCKQB-UHFFFAOYSA-N 0 1 264.344 2.994 20 30 CFEDMN CN(CCOCc1ccccc1)Cc1cccc(C#N)n1 ZINC000602484714 350902531 /nfs/dbraw/zinc/90/25/31/350902531.db2.gz MAUSPOZDKFBFCJ-UHFFFAOYSA-N 0 1 281.359 2.602 20 30 CFEDMN CCOC(=O)c1ccc(CN[C@@H](C)c2cccc(C#N)c2)[nH]1 ZINC000602567826 350927832 /nfs/dbraw/zinc/92/78/32/350927832.db2.gz OKJMMWGFFROMMC-LBPRGKRZSA-N 0 1 297.358 2.914 20 30 CFEDMN C[C@H](CC1(C#N)CCOCC1)NCc1ccc(Cl)cn1 ZINC000602579573 350931551 /nfs/dbraw/zinc/93/15/51/350931551.db2.gz CJICJQDJKICIKH-GFCCVEGCSA-N 0 1 293.798 2.924 20 30 CFEDMN Cc1ccc(CN(C)Cc2cccc(C#N)n2)cc1 ZINC000602430907 350879326 /nfs/dbraw/zinc/87/93/26/350879326.db2.gz ASRYZHCAXFFCJY-UHFFFAOYSA-N 0 1 251.333 2.894 20 30 CFEDMN C[C@H](CCC#N)CN1CCO[C@@H](c2ccccc2)C1 ZINC000602437430 350882411 /nfs/dbraw/zinc/88/24/11/350882411.db2.gz XJUIILJSUKFPPA-GDBMZVCRSA-N 0 1 258.365 3.000 20 30 CFEDMN Cc1csc(N2CCN(C[C@H](C)CCC#N)CC2)n1 ZINC000602439648 350883303 /nfs/dbraw/zinc/88/33/03/350883303.db2.gz PAIYWNTUOFJBBJ-GFCCVEGCSA-N 0 1 278.425 2.513 20 30 CFEDMN C[C@@H](CCC#N)CN1CCC[C@H]1C(=O)OC(C)(C)C ZINC000602464118 350891314 /nfs/dbraw/zinc/89/13/14/350891314.db2.gz JUHTWOOOICRNMO-STQMWFEESA-N 0 1 266.385 2.732 20 30 CFEDMN N#Cc1cccc(CN2CCS[C@H]3CCCC[C@H]32)n1 ZINC000602475043 350897525 /nfs/dbraw/zinc/89/75/25/350897525.db2.gz IBMFWODDTGJILG-CABCVRRESA-N 0 1 273.405 2.813 20 30 CFEDMN C[C@H](CCC#N)CN1CCOC[C@H]1c1ccccc1 ZINC000602475075 350897702 /nfs/dbraw/zinc/89/77/02/350897702.db2.gz IUODXQDYYOKOHJ-ZBFHGGJFSA-N 0 1 258.365 3.000 20 30 CFEDMN C[C@@H](NC[C@@H](C)CCC#N)c1nc(C(C)(C)C)no1 ZINC000602641461 350958386 /nfs/dbraw/zinc/95/83/86/350958386.db2.gz FGPYCDHXLKLXNA-WDEREUQCSA-N 0 1 264.373 2.958 20 30 CFEDMN CN(C[C@@H]1CCN(c2ccccc2)C1)CC(C)(C)C#N ZINC000602673057 350971849 /nfs/dbraw/zinc/97/18/49/350971849.db2.gz BVJJAPHNNBONHS-HNNXBMFYSA-N 0 1 271.408 2.994 20 30 CFEDMN CCC[C@H](CN1CCN(c2ccsc2C#N)CC1)OC ZINC000602706168 350989663 /nfs/dbraw/zinc/98/96/63/350989663.db2.gz IOABPZJFWNODCW-CYBMUJFWSA-N 0 1 293.436 2.557 20 30 CFEDMN CCc1cccc(CNCc2cccc(C#N)n2)c1 ZINC000602710159 350992743 /nfs/dbraw/zinc/99/27/43/350992743.db2.gz FLLFLJUUIZLCLH-UHFFFAOYSA-N 0 1 251.333 2.805 20 30 CFEDMN C[C@]1(C#N)CCN(C[C@@H]2CCN(c3ccccc3)C2)C1 ZINC000602719170 350998690 /nfs/dbraw/zinc/99/86/90/350998690.db2.gz UPAQNRAYUIZIHT-DOTOQJQBSA-N 0 1 269.392 2.748 20 30 CFEDMN N#CCC1(C[N@H+]2CCC[C@H](c3nnc4ccccn43)C2)CC1 ZINC000602777585 351021229 /nfs/dbraw/zinc/02/12/29/351021229.db2.gz GVSVSXAQMKMKFD-AWEZNQCLSA-N 0 1 295.390 2.603 20 30 CFEDMN C=CCCC[N@H+](C)Cc1cnc(C(=O)OCC)s1 ZINC000602777385 351021703 /nfs/dbraw/zinc/02/17/03/351021703.db2.gz FVGQKUNAPUMTHZ-UHFFFAOYSA-N 0 1 268.382 2.718 20 30 CFEDMN C=CCCCN(C)Cc1cnc(C(=O)OCC)s1 ZINC000602777385 351021706 /nfs/dbraw/zinc/02/17/06/351021706.db2.gz FVGQKUNAPUMTHZ-UHFFFAOYSA-N 0 1 268.382 2.718 20 30 CFEDMN C[C@H]1COc2ccccc2CN1CC1(CC#N)CC1 ZINC000602807204 351032572 /nfs/dbraw/zinc/03/25/72/351032572.db2.gz WAYVLOGZQVMMCT-ZDUSSCGKSA-N 0 1 256.349 2.963 20 30 CFEDMN N#CCCN1CCC[C@H](Cn2cnc3ccccc32)C1 ZINC000602816372 351036082 /nfs/dbraw/zinc/03/60/82/351036082.db2.gz IHQRHSPACOYWGK-AWEZNQCLSA-N 0 1 268.364 2.662 20 30 CFEDMN C[C@@H]1CN(Cc2ccc3ncccc3c2)C[C@@H](C)N1CC#N ZINC000602853562 351046284 /nfs/dbraw/zinc/04/62/84/351046284.db2.gz KAKHBOOHESSARI-HUUCEWRRSA-N 0 1 294.402 2.653 20 30 CFEDMN C[C@H](c1cccc(C#N)c1)N1C[C@@H](C)N(CC#N)[C@@H](C)C1 ZINC000602853820 351046449 /nfs/dbraw/zinc/04/64/49/351046449.db2.gz MCCDBLBIZPUGDQ-QLFBSQMISA-N 0 1 282.391 2.537 20 30 CFEDMN C[C@@H]1CN(CCc2ccccc2Cl)C[C@@H](C)N1CC#N ZINC000602857076 351047822 /nfs/dbraw/zinc/04/78/22/351047822.db2.gz OTQFEKOHLPCHFB-ZIAGYGMSSA-N 0 1 291.826 2.801 20 30 CFEDMN C[C@@H](CC#N)NCCC(=O)Nc1ccc(Cl)cc1 ZINC000602870640 351052908 /nfs/dbraw/zinc/05/29/08/351052908.db2.gz VBUIEAVFUPETOH-JTQLQIEISA-N 0 1 265.744 2.560 20 30 CFEDMN N#Cc1cc(CN2CCC[C@@H](n3ccnn3)CC2)ccc1F ZINC000602888100 351058074 /nfs/dbraw/zinc/05/80/74/351058074.db2.gz KRDIGXIUZNZARL-OAHLLOKOSA-N 0 1 299.353 2.516 20 30 CFEDMN N#Cc1cc(CN2CCC[C@H](n3ccnn3)CC2)ccc1F ZINC000602888096 351058321 /nfs/dbraw/zinc/05/83/21/351058321.db2.gz KRDIGXIUZNZARL-HNNXBMFYSA-N 0 1 299.353 2.516 20 30 CFEDMN CC(C)(C#N)CCCN1CCC[C@H]1c1ncccn1 ZINC000602899687 351060490 /nfs/dbraw/zinc/06/04/90/351060490.db2.gz PUYZADYIQZYUPR-ZDUSSCGKSA-N 0 1 258.369 2.943 20 30 CFEDMN Cc1cc(CN2CCC(c3ccc(C#N)cn3)CC2)on1 ZINC000602907090 351062163 /nfs/dbraw/zinc/06/21/63/351062163.db2.gz LCPDGQSYKIRRMG-UHFFFAOYSA-N 0 1 282.347 2.629 20 30 CFEDMN Cc1nocc1CN1CCC(c2ccc(C#N)cn2)CC1 ZINC000602905517 351062504 /nfs/dbraw/zinc/06/25/04/351062504.db2.gz GCYOZVHSHDSJQR-UHFFFAOYSA-N 0 1 282.347 2.629 20 30 CFEDMN N#CCC1(CN2CCN(c3cccc4[nH]ccc43)CC2)CC1 ZINC000602914755 351064225 /nfs/dbraw/zinc/06/42/25/351064225.db2.gz HHUMTMFOFPXUKQ-UHFFFAOYSA-N 0 1 294.402 2.984 20 30 CFEDMN COC(=O)c1oc(CN[C@H]2CCC[C@H](C#N)C2)cc1C ZINC000602744849 351011873 /nfs/dbraw/zinc/01/18/73/351011873.db2.gz UBLQHQRJMWHIQA-RYUDHWBXSA-N 0 1 276.336 2.547 20 30 CFEDMN COc1ccc(CCN(C)[C@H]2CCC[C@H]2C#N)cc1 ZINC000602975822 351076300 /nfs/dbraw/zinc/07/63/00/351076300.db2.gz HVBAOJNJOMGVAV-HOCLYGCPSA-N 0 1 258.365 2.862 20 30 CFEDMN CN(CCc1ccc(C#N)cc1)[C@@H]1CCC[C@H]1C#N ZINC000602981582 351082417 /nfs/dbraw/zinc/08/24/17/351082417.db2.gz GJHJGDRLUIHAOK-JKSUJKDBSA-N 0 1 253.349 2.725 20 30 CFEDMN Cc1[nH]n(Cc2ccc(C)cc2)c(=O)c1CCC#N ZINC000603921242 351192053 /nfs/dbraw/zinc/19/20/53/351192053.db2.gz NBGMCGMQFHZPSD-CQSZACIVSA-N 0 1 255.321 2.633 20 30 CFEDMN Cc1[nH]n(-c2cccc(Cl)c2)c(=O)c1CCC#N ZINC000603923718 351192253 /nfs/dbraw/zinc/19/22/53/351192253.db2.gz MNSWVUBYDADADC-LBPRGKRZSA-N 0 1 261.712 2.982 20 30 CFEDMN Cc1[nH]n(-c2cc(C)cc(C)c2)c(=O)c1CCC#N ZINC000603923791 351192287 /nfs/dbraw/zinc/19/22/87/351192287.db2.gz PEUXKBPKNZGVBW-CQSZACIVSA-N 0 1 255.321 2.946 20 30 CFEDMN N#Cc1csc(CNC23CC(c4ccccc4)(C2)C3)n1 ZINC000603428847 351163108 /nfs/dbraw/zinc/16/31/08/351163108.db2.gz SNZGSKFHYHHVQM-UHFFFAOYSA-N 0 1 281.384 2.979 20 30 CFEDMN CCn1cc([C@H](C)NCc2ccc(OC)c(C#N)c2)cn1 ZINC000271430852 191134025 /nfs/dbraw/zinc/13/40/25/191134025.db2.gz BACZGIUPCOACDF-LBPRGKRZSA-N 0 1 284.363 2.634 20 30 CFEDMN CCC[C@H](C#N)NC(=O)c1ccc(Nc2ccncc2)cc1 ZINC000609847798 351521839 /nfs/dbraw/zinc/52/18/39/351521839.db2.gz JOPUNRGRNRBIEA-MRXNPFEDSA-N 0 1 294.358 2.669 20 30 CFEDMN Cc1cccc(C)c1CN1CCN([C@H](C#N)C(C)C)CC1 ZINC000610001219 351530630 /nfs/dbraw/zinc/53/06/30/351530630.db2.gz ICUMMLQATHYUTH-GOSISDBHSA-N 0 1 285.435 2.969 20 30 CFEDMN CCc1ccc(CCN2CCN([C@@H](C#N)C(C)C)CC2)cc1 ZINC000609672196 351516205 /nfs/dbraw/zinc/51/62/05/351516205.db2.gz VLLAXQCCHJGEDD-IBGZPJMESA-N 0 1 299.462 2.957 20 30 CFEDMN Cc1nnc([C@@H]2CCCN(Cc3ccc(C#N)s3)C2)o1 ZINC000611267436 351661408 /nfs/dbraw/zinc/66/14/08/351661408.db2.gz GCAHIIXLNRXSOZ-LLVKDONJSA-N 0 1 288.376 2.691 20 30 CFEDMN CCn1nccc1CN[C@H](C)c1cccc(C#N)c1 ZINC000611080810 351638889 /nfs/dbraw/zinc/63/88/89/351638889.db2.gz LPZIQQDHHPAEPB-GFCCVEGCSA-N 0 1 254.337 2.625 20 30 CFEDMN N#Cc1cc(CN2CCC(c3ccccn3)CC2)ccn1 ZINC000611090591 351639795 /nfs/dbraw/zinc/63/97/95/351639795.db2.gz UMUQMWVYOWQDDO-UHFFFAOYSA-N 0 1 278.359 2.728 20 30 CFEDMN N#CCCN1CCN(CCc2ccc3ccccc3c2)CC1 ZINC000611175846 351646622 /nfs/dbraw/zinc/64/66/22/351646622.db2.gz NOINUSVNBGOMOU-UHFFFAOYSA-N 0 1 293.414 2.914 20 30 CFEDMN COc1cc(C#N)ccc1CN1CCC[C@H](n2ccnc2)C1 ZINC000611235431 351654301 /nfs/dbraw/zinc/65/43/01/351654301.db2.gz SLUACZXSGUHFSN-INIZCTEOSA-N 0 1 296.374 2.600 20 30 CFEDMN N#Cc1csc(CN2CCC[C@H](n3ccnc3)C2)c1 ZINC000611268152 351660775 /nfs/dbraw/zinc/66/07/75/351660775.db2.gz WPNOXLUGUIQUMQ-ZDUSSCGKSA-N 0 1 272.377 2.653 20 30 CFEDMN N#Cc1cc(CN2CCCN(c3ccccc3)CC2)ccn1 ZINC000610991308 351628675 /nfs/dbraw/zinc/62/86/75/351628675.db2.gz FAJVECBMKYDRKP-UHFFFAOYSA-N 0 1 292.386 2.666 20 30 CFEDMN CCOc1ccc(CN(C)Cc2ccnc(C#N)c2)cc1 ZINC000610991574 351629816 /nfs/dbraw/zinc/62/98/16/351629816.db2.gz KXOVYJOWYWSQPY-UHFFFAOYSA-N 0 1 281.359 2.984 20 30 CFEDMN COc1ccc(CN2CCC[C@@H](n3ccnc3)C2)cc1C#N ZINC000610992576 351630306 /nfs/dbraw/zinc/63/03/06/351630306.db2.gz RURUXFNNHBAFCN-MRXNPFEDSA-N 0 1 296.374 2.600 20 30 CFEDMN C[C@@H](N[C@@H](C)c1cccc(C#N)c1)C(=O)NC1CCCC1 ZINC000611387166 351678093 /nfs/dbraw/zinc/67/80/93/351678093.db2.gz FYVFEMKITSTCCP-QWHCGFSZSA-N 0 1 285.391 2.656 20 30 CFEDMN COc1cccc(CN[C@@H](C)c2cccc(C#N)c2)n1 ZINC000611386766 351678194 /nfs/dbraw/zinc/67/81/94/351678194.db2.gz UNKUAOBRRYKYFD-LBPRGKRZSA-N 0 1 267.332 2.813 20 30 CFEDMN C[C@H](NCC(=O)Nc1cccc(F)c1)c1cccc(C#N)c1 ZINC000611389346 351678943 /nfs/dbraw/zinc/67/89/43/351678943.db2.gz SXPJSMIGUHIUJC-LBPRGKRZSA-N 0 1 297.333 2.987 20 30 CFEDMN C[C@H](NCC(=O)N1[C@H](C)CCC[C@@H]1C)c1cccc(C#N)c1 ZINC000611388580 351679531 /nfs/dbraw/zinc/67/95/31/351679531.db2.gz KDAHIRXZWWKNED-ZNMIVQPWSA-N 0 1 299.418 2.998 20 30 CFEDMN Cc1n[nH]cc1[C@@H](C)NC1(c2cccc(C#N)c2)CC1 ZINC000611521627 351703388 /nfs/dbraw/zinc/70/33/88/351703388.db2.gz MIMAPBYFCYARKY-LLVKDONJSA-N 0 1 266.348 2.930 20 30 CFEDMN C[C@@]1(C#N)CCCN(CCCOCC(F)(F)F)C1 ZINC000612165930 351784655 /nfs/dbraw/zinc/78/46/55/351784655.db2.gz RMHXOAJNILLVFZ-NSHDSACASA-N 0 1 264.291 2.581 20 30 CFEDMN Cc1nc(NCCN2CCc3sccc3C2)ccc1C#N ZINC000291745147 198077680 /nfs/dbraw/zinc/07/76/80/198077680.db2.gz ZCHGVAIWLYIIPJ-UHFFFAOYSA-N 0 1 298.415 2.793 20 30 CFEDMN C[C@H](c1ccccc1)N1CC[C@H]([NH2+]CC(C)(C)C#N)C1 ZINC000612587971 351840778 /nfs/dbraw/zinc/84/07/78/351840778.db2.gz JDHVLUJFQNOWFO-ZBFHGGJFSA-N 0 1 271.408 2.961 20 30 CFEDMN Cc1csc([C@@H](C)CNC[C@H](C#N)CCC#N)n1 ZINC000612599705 351842195 /nfs/dbraw/zinc/84/21/95/351842195.db2.gz PQAHMWDDASXANJ-JQWIXIFHSA-N 0 1 262.382 2.588 20 30 CFEDMN C[C@@H](C(=O)Nc1cccc(C#N)c1)N1CCC2(CCC2)C1 ZINC000123201288 187077345 /nfs/dbraw/zinc/07/73/45/187077345.db2.gz FRWKZLHXROECLH-ZDUSSCGKSA-N 0 1 283.375 2.761 20 30 CFEDMN C[C@H](c1cccc(C#N)c1)N1CCC(F)(F)[C@@H](CO)C1 ZINC000291950935 198115387 /nfs/dbraw/zinc/11/53/87/198115387.db2.gz UPMXCMYGVZQPOD-BXUZGUMPSA-N 0 1 280.318 2.569 20 30 CFEDMN C=CCC[C@H](C(=O)N1CCC2(CN(C)C2)C1)c1ccccc1 ZINC000614037776 352039599 /nfs/dbraw/zinc/03/95/99/352039599.db2.gz GCKYMGLWSKMLPC-KRWDZBQOSA-N 0 1 298.430 2.901 20 30 CFEDMN COc1cc(C)c([C@@H](C)N2CCN(CC#N)CC2)cc1C ZINC000614962759 352137061 /nfs/dbraw/zinc/13/70/61/352137061.db2.gz GNDXEESJUMULHM-OAHLLOKOSA-N 0 1 287.407 2.514 20 30 CFEDMN C[C@H](NCc1cncc(F)c1)c1cccc(C#N)c1 ZINC000614578737 352105028 /nfs/dbraw/zinc/10/50/28/352105028.db2.gz XCYNZSYIGPQPAV-NSHDSACASA-N 0 1 255.296 2.943 20 30 CFEDMN Cc1ccnc(CN(C)Cc2ccc(C#N)cc2)c1 ZINC000616745340 352427023 /nfs/dbraw/zinc/42/70/23/352427023.db2.gz OHFSZHUTABLBDQ-UHFFFAOYSA-N 0 1 251.333 2.894 20 30 CFEDMN C=CC[C@H]1CCCC[C@@H]1NC(=O)CN(CC)C1CC1 ZINC000617039101 352474978 /nfs/dbraw/zinc/47/49/78/352474978.db2.gz CEIYYQJQTXKAKO-ZFWWWQNUSA-N 0 1 264.413 2.722 20 30 CFEDMN C=CC[C@H]1CCCC[C@H]1NC(=O)CCc1cnc[nH]1 ZINC000617042897 352478137 /nfs/dbraw/zinc/47/81/37/352478137.db2.gz WYFWQVRWAJMRQO-GXTWGEPZSA-N 0 1 261.369 2.593 20 30 CFEDMN C=CCCC1(CNC(=O)CCc2cnc[nH]2)CCCC1 ZINC000617418156 352562385 /nfs/dbraw/zinc/56/23/85/352562385.db2.gz UXKHZXDFSIDPRS-UHFFFAOYSA-N 0 1 275.396 2.985 20 30 CFEDMN C=CC[C@H]1CCCN(C(=O)c2csc(=NC3CC3)[nH]2)C1 ZINC000617781023 352644181 /nfs/dbraw/zinc/64/41/81/352644181.db2.gz CELXMNVGMXBTGW-NSHDSACASA-N 0 1 291.420 2.568 20 30 CFEDMN C=CCCCCCN(C)C(=O)[C@H]1CCc2[nH]cnc2C1 ZINC000669048756 539935636 /nfs/dbraw/zinc/93/56/36/539935636.db2.gz BHLKVRLLWMPCOQ-ZDUSSCGKSA-N 0 1 275.396 2.719 20 30 CFEDMN CN(C)c1ncc(CN[C@H]2CCc3cc(C#N)ccc32)s1 ZINC000618742400 352876248 /nfs/dbraw/zinc/87/62/48/352876248.db2.gz YHPCXSHQBVNHQY-HNNXBMFYSA-N 0 1 298.415 2.858 20 30 CFEDMN CC(=O)Nc1cccc2c1CCN([C@@H]1CC[C@H](C#N)C1)C2 ZINC000618903936 352908351 /nfs/dbraw/zinc/90/83/51/352908351.db2.gz RFAGAQMQTKEURU-DZGCQCFKSA-N 0 1 283.375 2.695 20 30 CFEDMN C[C@H](N[C@H]1CCc2cc(C#N)ccc21)c1cnccn1 ZINC000618804893 352884076 /nfs/dbraw/zinc/88/40/76/352884076.db2.gz MXJTUNPWCIGHPF-NHYWBVRUSA-N 0 1 264.332 2.686 20 30 CFEDMN C=CCC1(NC(=O)[C@H](C)Cc2cnc[nH]2)CCCC1 ZINC000619110714 352955949 /nfs/dbraw/zinc/95/59/49/352955949.db2.gz OAXRGEZDBUESMF-GFCCVEGCSA-N 0 1 261.369 2.593 20 30 CFEDMN C=CCC1(NC(=O)c2ccc3cncn3c2)CCCC1 ZINC000619111323 352956860 /nfs/dbraw/zinc/95/68/60/352956860.db2.gz ZDAPQWLDNOCQDJ-UHFFFAOYSA-N 0 1 269.348 2.953 20 30 CFEDMN C=CCC1(NC(=O)c2[nH]nc3c2CCCC3)CCCC1 ZINC000619113682 352957679 /nfs/dbraw/zinc/95/76/79/352957679.db2.gz FKLMJGXVKRNING-UHFFFAOYSA-N 0 1 273.380 2.907 20 30 CFEDMN Cc1n[nH]c(C)c1CNCc1ccc(C#N)c(Cl)c1 ZINC000619748254 353062779 /nfs/dbraw/zinc/06/27/79/353062779.db2.gz DUFIWICQJVUHDZ-UHFFFAOYSA-N 0 1 274.755 2.841 20 30 CFEDMN Cc1nn(C)c(C)c1CNCc1ccc(C#N)c(Cl)c1 ZINC000619748300 353062800 /nfs/dbraw/zinc/06/28/00/353062800.db2.gz HAMYLKXZOMEULV-UHFFFAOYSA-N 0 1 288.782 2.852 20 30 CFEDMN CC(C)[C@](C)(C#N)NC(=O)[C@H](C)N[C@H](C)c1ccsc1 ZINC000619782866 353066711 /nfs/dbraw/zinc/06/67/11/353066711.db2.gz MELCCAHWLNASHA-XUJVJEKNSA-N 0 1 293.436 2.842 20 30 CFEDMN COCCCn1nccc1CN[C@@H](C)c1cccc(C#N)c1 ZINC000619798842 353067264 /nfs/dbraw/zinc/06/72/64/353067264.db2.gz FJJRIHMLFXNWBQ-AWEZNQCLSA-N 0 1 298.390 2.642 20 30 CFEDMN Cc1ccc(CNCC2(C#N)CC2)c(-c2ccnn2C)c1 ZINC000619845903 353069222 /nfs/dbraw/zinc/06/92/22/353069222.db2.gz GCUNMAQVEXBWET-UHFFFAOYSA-N 0 1 280.375 2.789 20 30 CFEDMN CCN1CCN(c2ccc(C(F)(F)F)c(C#N)n2)C[C@H]1C ZINC000619697210 353052568 /nfs/dbraw/zinc/05/25/68/353052568.db2.gz ZOIUAILZQNXXIR-SNVBAGLBSA-N 0 1 298.312 2.502 20 30 CFEDMN C=C(Cl)CN[C@H](c1nnc[nH]1)C1CCCCC1 ZINC000292300085 198236249 /nfs/dbraw/zinc/23/62/49/198236249.db2.gz VSQDRHYRZZGELT-NSHDSACASA-N 0 1 254.765 2.768 20 30 CFEDMN C=CCN(C)Cc1ccc(Br)c([N+](=O)[O-])c1 ZINC000154792616 188162794 /nfs/dbraw/zinc/16/27/94/188162794.db2.gz VVPPQPVFMBNREN-UHFFFAOYSA-N 0 1 285.141 2.975 20 30 CFEDMN CC#CCCN(C)Cc1cnn(-c2ccccc2)c1 ZINC000155056525 188179775 /nfs/dbraw/zinc/17/97/75/188179775.db2.gz SYKABBOQISUBMG-UHFFFAOYSA-N 0 1 253.349 2.718 20 30 CFEDMN CC(C)CN(C(=O)CN[C@@H](C)c1ccc(C#N)cc1)C1CC1 ZINC000271685417 191275484 /nfs/dbraw/zinc/27/54/84/191275484.db2.gz QHQUOUQDAVJVBY-AWEZNQCLSA-N 0 1 299.418 2.856 20 30 CFEDMN C=CCNC(=O)CN[C@@H](C)c1ccc(OC(C)(C)C)cc1 ZINC000157396457 188314741 /nfs/dbraw/zinc/31/47/41/188314741.db2.gz XTFFWIWPLGHYQK-ZDUSSCGKSA-N 0 1 290.407 2.817 20 30 CFEDMN C[C@@H]1CCN(CC#Cc2cccc(Cl)c2)C[C@H]1CO ZINC000621370180 353340375 /nfs/dbraw/zinc/34/03/75/353340375.db2.gz DDMRRJSYGYBSQW-HIFRSBDPSA-N 0 1 277.795 2.642 20 30 CFEDMN C#CC[C@@H](NCC(=O)N1C[C@H](C)C[C@H](C)C1)c1ccccc1 ZINC000271693675 191278601 /nfs/dbraw/zinc/27/86/01/191278601.db2.gz LAYLUHOGNKSMMO-SOLBZPMBSA-N 0 1 298.430 2.845 20 30 CFEDMN C[C@@H](NCC(=O)NCc1cccs1)c1ccc(C#N)cc1 ZINC000271694807 191280406 /nfs/dbraw/zinc/28/04/06/191280406.db2.gz SFAPZQVLAJKNQR-GFCCVEGCSA-N 0 1 299.399 2.587 20 30 CFEDMN CCc1nc(CNc2ccc(C#N)c(C(F)(F)F)c2)n[nH]1 ZINC000158822539 188395768 /nfs/dbraw/zinc/39/57/68/188395768.db2.gz FZEQCRNFQXARHO-UHFFFAOYSA-N 0 1 295.268 2.870 20 30 CFEDMN C=CC[C@@H]1CCCN(C(=O)[C@H]2C[C@H](C)Cc3c[nH]nc32)C1 ZINC000623227563 353596850 /nfs/dbraw/zinc/59/68/50/353596850.db2.gz XOJLVRMOKNSZIW-NFAWXSAZSA-N 0 1 287.407 2.890 20 30 CFEDMN C=CC(C)(C)CNCc1cn(-c2ccc(F)cc2)nn1 ZINC000623538371 353667565 /nfs/dbraw/zinc/66/75/65/353667565.db2.gz AMTURXSFHMVIAV-UHFFFAOYSA-N 0 1 274.343 2.708 20 30 CFEDMN C=CC[C@H]1CC[N@H+](CC(=O)N2CCCC[C@@H]2CC)C1 ZINC000625699508 354088341 /nfs/dbraw/zinc/08/83/41/354088341.db2.gz FQCKSZIFEUVITF-GJZGRUSLSA-N 0 1 264.413 2.676 20 30 CFEDMN C=C(C)CN(CC)C(=O)CN1C[C@H](C)C(F)(F)[C@@H](C)C1 ZINC000625646899 354077822 /nfs/dbraw/zinc/07/78/22/354077822.db2.gz LELYTOUFGLRDAW-STQMWFEESA-N 0 1 288.382 2.634 20 30 CFEDMN C=CC[C@H]1CCN(Cc2ncnn2-c2ccccc2)C1 ZINC000625701642 354088991 /nfs/dbraw/zinc/08/89/91/354088991.db2.gz LCOFFUOLLAHCCA-AWEZNQCLSA-N 0 1 268.364 2.665 20 30 CFEDMN C=CC[C@H]1CCN(Cc2nnc(-c3ccco3)o2)C1 ZINC000625700327 354089461 /nfs/dbraw/zinc/08/94/61/354089461.db2.gz KPNZISPGKRGNPX-NSHDSACASA-N 0 1 259.309 2.728 20 30 CFEDMN C=CC[C@H]1CCN(CC(=O)Nc2cccc(F)c2)C1 ZINC000625703142 354090219 /nfs/dbraw/zinc/09/02/19/354090219.db2.gz LQIBORFJKZBEJR-LBPRGKRZSA-N 0 1 262.328 2.662 20 30 CFEDMN C=C(C)CN(CC)C(=O)[C@@H](C)N1CCCC(F)(F)CC1 ZINC000625768557 354104535 /nfs/dbraw/zinc/10/45/35/354104535.db2.gz WVMIGHDFGYZAQH-CYBMUJFWSA-N 0 1 288.382 2.921 20 30 CFEDMN C=CCOc1cccc(NC(=O)[C@@H](CC)N(C)C)c1 ZINC000162530513 188577019 /nfs/dbraw/zinc/57/70/19/188577019.db2.gz QAWXQZDUTPAPTA-CQSZACIVSA-N 0 1 262.353 2.530 20 30 CFEDMN C=CC(C)(C)CCNC(=O)[C@H]1CCCc2[nH]ncc21 ZINC000628315640 354541344 /nfs/dbraw/zinc/54/13/44/354541344.db2.gz QXERPUXSVZHXHJ-NSHDSACASA-N 0 1 261.369 2.548 20 30 CFEDMN C=C(C)CN(CC)C(=O)CNC1(c2cccc(C#N)c2)CC1 ZINC000271757128 191309047 /nfs/dbraw/zinc/30/90/47/191309047.db2.gz HCHJWHDJQQYTGC-UHFFFAOYSA-N 0 1 297.402 2.562 20 30 CFEDMN C=CC[C@H]1CCN(C(=O)c2ccc(-c3nnc[nH]3)cc2)C1 ZINC000628490727 354606735 /nfs/dbraw/zinc/60/67/35/354606735.db2.gz FVXPTUYUUNOVOI-LBPRGKRZSA-N 0 1 282.347 2.510 20 30 CFEDMN C#CC[C@H](NCC(=O)N1CCC(C)CC1)c1ccccc1 ZINC000271761212 191310769 /nfs/dbraw/zinc/31/07/69/191310769.db2.gz ZRZCMFHLAKRDTL-KRWDZBQOSA-N 0 1 284.403 2.599 20 30 CFEDMN C=CCN1C(=O)N=NC1S[C@@H]1CCCC[C@H]1C ZINC000629162726 354762170 /nfs/dbraw/zinc/76/21/70/354762170.db2.gz ZVAHNPNACVNZLG-NXEZZACHSA-N 0 1 253.371 2.841 20 30 CFEDMN C=CC[C@@H]1CC[N@H+](Cc2cc(C(=O)[O-])oc2CC)C1 ZINC000629366137 354789434 /nfs/dbraw/zinc/78/94/34/354789434.db2.gz GYADYJKSSBSMIU-LLVKDONJSA-N 0 1 263.337 2.938 20 30 CFEDMN C=C1CC(C)(C(=O)NC[C@@H](c2cccc(F)c2)N(C)C)C1 ZINC000630577315 355116320 /nfs/dbraw/zinc/11/63/20/355116320.db2.gz XAMFCSNNOWTCGX-HNNXBMFYSA-N 0 1 290.382 2.901 20 30 CFEDMN C=C1CC(C)(C(=O)NC[C@H](c2ccsc2)N(C)C)C1 ZINC000630705707 355155081 /nfs/dbraw/zinc/15/50/81/355155081.db2.gz YHQIPAXDQCWJMV-CYBMUJFWSA-N 0 1 278.421 2.823 20 30 CFEDMN N#Cc1cc(F)ccc1CN1CCC[C@H]([C@H]2CCOC2)C1 ZINC000336543282 283098190 /nfs/dbraw/zinc/09/81/90/283098190.db2.gz QKJVZYIQALQKLN-ZFWWWQNUSA-N 0 1 288.366 2.946 20 30 CFEDMN C=CCc1cccc(C(C)C)c1NC(=O)CCc1nn[nH]n1 ZINC000632752192 355737703 /nfs/dbraw/zinc/73/77/03/355737703.db2.gz SLZWOZUULSSPSV-UHFFFAOYSA-N 0 1 299.378 2.623 20 30 CFEDMN C=CCCC(C)(C)CNC(=O)N[C@@H](C)Cc1cc(C)[nH]n1 ZINC000633130249 355806280 /nfs/dbraw/zinc/80/62/80/355806280.db2.gz GLHYFVYSUIFKAG-LBPRGKRZSA-N 0 1 292.427 2.941 20 30 CFEDMN C=C[C@@H](CC(=O)NCc1n[nH]c(C(C)C)n1)c1ccccc1 ZINC000295755091 199649340 /nfs/dbraw/zinc/64/93/40/199649340.db2.gz OKQFEHUWAUUNNK-ZDUSSCGKSA-N 0 1 298.390 2.904 20 30 CFEDMN Cc1csc(C(C#N)C(=O)c2cnn(C(F)F)c2)n1 ZINC000633894584 356028930 /nfs/dbraw/zinc/02/89/30/356028930.db2.gz NOCNESVBWZGBFV-MRVPVSSYSA-N 0 1 282.275 2.533 20 30 CFEDMN N#Cc1ccc(CN2CC[C@@H](O)c3ccccc3C2)cc1 ZINC000367935599 283142865 /nfs/dbraw/zinc/14/28/65/283142865.db2.gz XAPQOXRPSNKMOZ-GOSISDBHSA-N 0 1 278.355 2.998 20 30 CFEDMN C#CCNC(=O)CCN[C@H](C)c1cc(Cl)ccc1Cl ZINC000294521590 199071174 /nfs/dbraw/zinc/07/11/74/199071174.db2.gz JEYBGXDKPMJVPI-SNVBAGLBSA-N 0 1 299.201 2.784 20 30 CFEDMN CC(C)c1nc(CNc2ccc(C#N)cc2F)n[nH]1 ZINC000294879214 199227776 /nfs/dbraw/zinc/22/77/76/199227776.db2.gz DYAQUSLJKCVXLB-UHFFFAOYSA-N 0 1 259.288 2.551 20 30 CFEDMN C=CCn1c([C@@H](C)CC)nnc1N1CCN(CC)[C@H](C)C1 ZINC000669811961 540574865 /nfs/dbraw/zinc/57/48/65/540574865.db2.gz LYDJYAFPPHVEDT-UONOGXRCSA-N 0 1 291.443 2.508 20 30 CFEDMN Cn1cc(CN2CC(C3CCCCC3)C2)cc1C#N ZINC000297393488 200174995 /nfs/dbraw/zinc/17/49/95/200174995.db2.gz JQQMMELQFNHGCO-UHFFFAOYSA-N 0 1 257.381 2.909 20 30 CFEDMN C#CCN(Cc1n[nH]c(C(C)C)n1)Cc1ccccc1 ZINC000298244672 200370420 /nfs/dbraw/zinc/37/04/20/200370420.db2.gz JMBFJQHWJWECBK-UHFFFAOYSA-N 0 1 268.364 2.564 20 30 CFEDMN C=CCNC(=O)CN[C@H]1CCSc2c(Cl)cccc21 ZINC000347349800 540715743 /nfs/dbraw/zinc/71/57/43/540715743.db2.gz VUHRMQNBOWUFGH-LBPRGKRZSA-N 0 1 296.823 2.769 20 30 CFEDMN CC(C)(C)CNC(=O)C(C)(C)NCc1cccc(C#N)c1 ZINC000178831502 189149201 /nfs/dbraw/zinc/14/92/01/189149201.db2.gz QLACRBDYVWSNNH-UHFFFAOYSA-N 0 1 287.407 2.589 20 30 CFEDMN C=CCc1cc(CN2CCCO[C@@H](C)C2)cc(OC)c1O ZINC000179396604 189190968 /nfs/dbraw/zinc/19/09/68/189190968.db2.gz GSDZPAPNFJIIMF-ZDUSSCGKSA-N 0 1 291.391 2.740 20 30 CFEDMN C=CCNC(=O)[C@H](C)N[C@H](C)c1cccc(OC(F)F)c1 ZINC000179593412 189205711 /nfs/dbraw/zinc/20/57/11/189205711.db2.gz SQISIMJDFRPQBH-MNOVXSKESA-N 0 1 298.333 2.629 20 30 CFEDMN C=CCNC(=O)CN[C@H](C)c1ccc(SC)c(F)c1 ZINC000180031554 189233120 /nfs/dbraw/zinc/23/31/20/189233120.db2.gz DISJTFOSTIDIJB-SNVBAGLBSA-N 0 1 282.384 2.500 20 30 CFEDMN C=CCNC(=O)CN[C@H](C)c1oc2ccccc2c1C ZINC000180032619 189234065 /nfs/dbraw/zinc/23/40/65/189234065.db2.gz AHQHYTDUYDCXKF-GFCCVEGCSA-N 0 1 272.348 2.694 20 30 CFEDMN N#Cc1ccc(NCCc2nc3ccc(F)cc3[nH]2)nc1 ZINC000301544180 201061433 /nfs/dbraw/zinc/06/14/33/201061433.db2.gz OTZHSJASNZOISI-UHFFFAOYSA-N 0 1 281.294 2.623 20 30 CFEDMN Cc1cc(S(=O)(=O)Nc2cccc(C#N)c2)c(C)o1 ZINC000182769666 189334290 /nfs/dbraw/zinc/33/42/90/189334290.db2.gz QIRCHPZQYPJAGR-UHFFFAOYSA-N 0 1 276.317 2.569 20 30 CFEDMN Cc1cccc2nc(CNc3ncccc3C#N)[nH]c21 ZINC000301861674 201237873 /nfs/dbraw/zinc/23/78/73/201237873.db2.gz DVEXDWSMXZSUPI-UHFFFAOYSA-N 0 1 263.304 2.750 20 30 CFEDMN CCn1cccc(CN[C@@H](C)c2ccc(C#N)c(F)c2)c1=O ZINC000433104830 240102644 /nfs/dbraw/zinc/10/26/44/240102644.db2.gz YNLGRZWVXYFKBX-LBPRGKRZSA-N 0 1 299.349 2.730 20 30 CFEDMN N#Cc1ccc(C(=O)CSc2nc(C3CC3)n[nH]2)cc1 ZINC000192877635 541408809 /nfs/dbraw/zinc/40/88/09/541408809.db2.gz FKFLPLXAHBYGID-UHFFFAOYSA-N 0 1 284.344 2.529 20 30 CFEDMN N#Cc1ccc(C(=O)CSc2n[nH]c(C3CC3)n2)cc1 ZINC000192877635 541408813 /nfs/dbraw/zinc/40/88/13/541408813.db2.gz FKFLPLXAHBYGID-UHFFFAOYSA-N 0 1 284.344 2.529 20 30 CFEDMN C=CCCn1cc(CN2C[C@@H](C(C)C)[C@@H]2C(C)C)nn1 ZINC000668220101 541406262 /nfs/dbraw/zinc/40/62/62/541406262.db2.gz DBVIVFAGPNWNIP-HOTGVXAUSA-N 0 1 276.428 2.967 20 30 CFEDMN Cc1cc(CNCc2cccc(O)c2)ccc1C#N ZINC000443968487 241099739 /nfs/dbraw/zinc/09/97/39/241099739.db2.gz QCVPQHVAQLWRSD-UHFFFAOYSA-N 0 1 252.317 2.862 20 30 CFEDMN Cc1cc(CNCc2cccc(N(C)C)n2)ccc1C#N ZINC000443995051 241105268 /nfs/dbraw/zinc/10/52/68/241105268.db2.gz MJUKWLAWRPJHPJ-UHFFFAOYSA-N 0 1 280.375 2.618 20 30 CFEDMN CC(C)[C@H]1CCC[N@@H+](CC(=O)Nc2cccc(C#N)c2)C1 ZINC000444749820 241184881 /nfs/dbraw/zinc/18/48/81/241184881.db2.gz VRCGAPHGVUJLFS-HNNXBMFYSA-N 0 1 285.391 2.865 20 30 CFEDMN CC(C)[C@H]1CCCN(CC(=O)Nc2cccc(C#N)c2)C1 ZINC000444749820 241184885 /nfs/dbraw/zinc/18/48/85/241184885.db2.gz VRCGAPHGVUJLFS-HNNXBMFYSA-N 0 1 285.391 2.865 20 30 CFEDMN CC[C@H]1CN(CC)CCN1C(=O)[C@H](C)c1cccc(C#N)c1 ZINC000456390871 244169721 /nfs/dbraw/zinc/16/97/21/244169721.db2.gz WECTYUTWAGRYSN-PBHICJAKSA-N 0 1 299.418 2.604 20 30 CFEDMN Cc1cc(C#N)cc(NC(=O)CN2[C@H](C)CC[C@H]2C)c1 ZINC000456969257 244340772 /nfs/dbraw/zinc/34/07/72/244340772.db2.gz QJCQNBHPPXVZNR-CHWSQXEVSA-N 0 1 271.364 2.678 20 30 CFEDMN OCCCN(CC#Cc1ccccc1Cl)C1CC1 ZINC000676714631 541781766 /nfs/dbraw/zinc/78/17/66/541781766.db2.gz BEKRBBOZZQUSEX-UHFFFAOYSA-N 0 1 263.768 2.538 20 30 CFEDMN C=CCN(C)Cc1cnn(Cc2ccc(F)cc2)c1 ZINC000276202819 193242687 /nfs/dbraw/zinc/24/26/87/193242687.db2.gz KHULXCRBMBGCIB-UHFFFAOYSA-N 0 1 259.328 2.688 20 30 CFEDMN C=CCCN(C)Cc1cc(C(=O)OC)ccc1F ZINC000276386853 193310731 /nfs/dbraw/zinc/31/07/31/193310731.db2.gz IVMRNJKGZZXSMK-UHFFFAOYSA-N 0 1 251.301 2.620 20 30 CFEDMN C=CCCN(C)CC(=O)Nc1ccccc1OCC ZINC000276429948 193327654 /nfs/dbraw/zinc/32/76/54/193327654.db2.gz NJYYCYXAHJEJQF-UHFFFAOYSA-N 0 1 262.353 2.532 20 30 CFEDMN C=CCCN(C)[C@@H](C)C(=O)Nc1oc(C)c(C)c1C#N ZINC000276484690 193351342 /nfs/dbraw/zinc/35/13/42/193351342.db2.gz TYXCVQISQQEOAZ-NSHDSACASA-N 0 1 275.352 2.603 20 30 CFEDMN COCC[C@@H](NCc1cc(C#N)n(C)c1)c1ccc(C)o1 ZINC000276594711 193394298 /nfs/dbraw/zinc/39/42/98/193394298.db2.gz FEYZSVMYBODOOW-OAHLLOKOSA-N 0 1 287.363 2.666 20 30 CFEDMN COc1ccc(CN2CC3(CCC3)[C@@H]3COC[C@H]32)cc1C#N ZINC000459669863 245266542 /nfs/dbraw/zinc/26/65/42/245266542.db2.gz JMPYRNIVJSZEPJ-HZPDHXFCSA-N 0 1 298.386 2.568 20 30 CFEDMN Cc1cccc(NC(=O)C[C@H](C)NCC2(C#N)CC2)c1C ZINC000574384775 335014882 /nfs/dbraw/zinc/01/48/82/335014882.db2.gz KKUATXOXKUZWDD-ZDUSSCGKSA-N 0 1 285.391 2.914 20 30 CFEDMN O=C(Nc1nc(-c2ccco2)n[nH]1)c1ccccc1 ZINC000012906250 371997664 /nfs/dbraw/zinc/99/76/64/371997664.db2.gz USQMBFQATPPSPV-UHFFFAOYSA-N 0 1 254.249 2.701 20 30 CFEDMN CCCCN(C)CC(=O)Nc1ccccc1SCC#N ZINC000023991765 372268084 /nfs/dbraw/zinc/26/80/84/372268084.db2.gz SRJQPIGZAXSJTR-UHFFFAOYSA-N 0 1 291.420 2.973 20 30 CFEDMN CCCCN(C)CC(=O)Nc1ccc(C#N)c(Cl)c1 ZINC000023991678 372268535 /nfs/dbraw/zinc/26/85/35/372268535.db2.gz VJEVVFYHSJQPJO-UHFFFAOYSA-N 0 1 279.771 2.882 20 30 CFEDMN C=CCOc1ccc(CNCc2c[nH]nc2C)cc1 ZINC000037989204 372751218 /nfs/dbraw/zinc/75/12/18/372751218.db2.gz UJMPXXZRUNIOJG-UHFFFAOYSA-N 0 1 257.337 2.573 20 30 CFEDMN N#C[C@@H](C(=O)[C@@H]1C[C@H]1c1ccsc1)c1ccncn1 ZINC000528988020 383684916 /nfs/dbraw/zinc/68/49/16/383684916.db2.gz SIYFHQNLIDCMBL-QJPTWQEYSA-N 0 1 269.329 2.518 20 30 CFEDMN N#C[C@@H](C(=O)C1CCc2ccccc2CC1)c1ccncn1 ZINC000528987617 383685016 /nfs/dbraw/zinc/68/50/16/383685016.db2.gz PFGQPVWOYPAQJJ-MRXNPFEDSA-N 0 1 291.354 2.848 20 30 CFEDMN C=C(C)CC[N@H+]1CCc2nnn(C3CC(C)C3)c2C1 ZINC000640039056 383685232 /nfs/dbraw/zinc/68/52/32/383685232.db2.gz ODIFZBKRNBSGNR-UHFFFAOYSA-N 0 1 260.385 2.573 20 30 CFEDMN C=C(C)CCN1CCc2nnn(C3CC(C)C3)c2C1 ZINC000640039056 383685237 /nfs/dbraw/zinc/68/52/37/383685237.db2.gz ODIFZBKRNBSGNR-UHFFFAOYSA-N 0 1 260.385 2.573 20 30 CFEDMN Cc1occc1C(=O)[C@H](C#N)c1nc2ccccc2[nH]1 ZINC000041496184 372844465 /nfs/dbraw/zinc/84/44/65/372844465.db2.gz WGSYUNSEMQZPOV-NSHDSACASA-N 0 1 265.272 2.954 20 30 CFEDMN Cc1occc1C(=O)C(C#N)c1nc2ccccc2[nH]1 ZINC000041496184 372844469 /nfs/dbraw/zinc/84/44/69/372844469.db2.gz WGSYUNSEMQZPOV-NSHDSACASA-N 0 1 265.272 2.954 20 30 CFEDMN COc1cccc(C(=O)C(C#N)c2nc(C)cs2)c1 ZINC000041520146 372846539 /nfs/dbraw/zinc/84/65/39/372846539.db2.gz ILIUNADHAXMONV-GFCCVEGCSA-N 0 1 272.329 2.950 20 30 CFEDMN CCN(CC(=O)N1CCCCC1)[C@@H](C)c1ccc(C#N)cc1 ZINC000042741465 372951679 /nfs/dbraw/zinc/95/16/79/372951679.db2.gz CLVATJQWHIWMQR-HNNXBMFYSA-N 0 1 299.418 2.954 20 30 CFEDMN C=C(C)CN(CC)C(=O)NC[C@H](c1cccs1)N(C)C ZINC000043146107 372977171 /nfs/dbraw/zinc/97/71/71/372977171.db2.gz GTRSHIBACBUQIH-CYBMUJFWSA-N 0 1 295.452 2.958 20 30 CFEDMN C[C@@H]1CCN(CC(=O)Nc2cccc(C#N)c2)[C@H](C)C1 ZINC000051731836 373405965 /nfs/dbraw/zinc/40/59/65/373405965.db2.gz XDZCCTCQXKFYML-CHWSQXEVSA-N 0 1 271.364 2.617 20 30 CFEDMN C[C@@H]1C[C@@H](C)CCN1CC(=O)Nc1cccc(C#N)c1 ZINC000051731837 373406324 /nfs/dbraw/zinc/40/63/24/373406324.db2.gz XDZCCTCQXKFYML-QWHCGFSZSA-N 0 1 271.364 2.617 20 30 CFEDMN COCCOc1ccccc1CNCc1cccc(C#N)c1 ZINC000060527885 373697714 /nfs/dbraw/zinc/69/77/14/373697714.db2.gz VLYYYKOFDGWBRL-UHFFFAOYSA-N 0 1 296.370 2.873 20 30 CFEDMN C=CCCCN(C)C(=O)C1(N(C)C)Cc2ccccc2C1 ZINC000073846050 374393367 /nfs/dbraw/zinc/39/33/67/374393367.db2.gz NKKSBMBKXWEVLC-UHFFFAOYSA-N 0 1 286.419 2.510 20 30 CFEDMN CN(C)c1cccc(C(=O)Nc2nc(-c3ccco3)n[nH]2)c1 ZINC000073973473 374398554 /nfs/dbraw/zinc/39/85/54/374398554.db2.gz HJBFEMBBQNZHGX-UHFFFAOYSA-N 0 1 297.318 2.767 20 30 CFEDMN Cn1cc(CNC(C)(C)c2ccccc2[N+](=O)[O-])cc1C#N ZINC000492044840 246167115 /nfs/dbraw/zinc/16/71/15/246167115.db2.gz KNNGONAIWNIQCT-UHFFFAOYSA-N 0 1 298.346 2.830 20 30 CFEDMN CC1(C)CCCN1Cc1nnc(-c2ccc(C#N)cc2)o1 ZINC000075713182 374500137 /nfs/dbraw/zinc/50/01/37/374500137.db2.gz BAPFRQDANVRQJD-UHFFFAOYSA-N 0 1 282.347 2.983 20 30 CFEDMN C=C(C)CN(CC)C(=O)[C@H](C)N1CCS[C@@H](CC)C1 ZINC000076073718 374530914 /nfs/dbraw/zinc/53/09/14/374530914.db2.gz IBKVIDSASTYABS-KBPBESRZSA-N 0 1 284.469 2.627 20 30 CFEDMN N#Cc1ccc(F)c(CN2CCC(c3ncc[nH]3)CC2)c1 ZINC000076091818 374533253 /nfs/dbraw/zinc/53/32/53/374533253.db2.gz ALTVLBXAXVIKNL-UHFFFAOYSA-N 0 1 284.338 2.800 20 30 CFEDMN N#Cc1ccc([C@@H](O)CN2CCC(C(F)(F)F)CC2)cc1 ZINC000088420381 374845984 /nfs/dbraw/zinc/84/59/84/374845984.db2.gz MSZINGAEDIXWKQ-AWEZNQCLSA-N 0 1 298.308 2.866 20 30 CFEDMN CC(C)CO[C@@H]1CCN(Cc2cc(C#N)cs2)C1 ZINC000091964694 375073693 /nfs/dbraw/zinc/07/36/93/375073693.db2.gz CRTBTHXWHIYWQY-CYBMUJFWSA-N 0 1 264.394 2.867 20 30 CFEDMN C[C@@H]1CO[C@@H](C)CN1Cc1ccc(N(C)CCC#N)cc1 ZINC000092018010 375083158 /nfs/dbraw/zinc/08/31/58/375083158.db2.gz DIRYJWADDNVYND-CABCVRRESA-N 0 1 287.407 2.646 20 30 CFEDMN C=CCOc1ccc(CN(CCC)CC(=O)N(C)C)cc1 ZINC000092382059 375106782 /nfs/dbraw/zinc/10/67/82/375106782.db2.gz NEGWMOZQBSZNRP-UHFFFAOYSA-N 0 1 290.407 2.552 20 30 CFEDMN Cn1ncc2c1CCC[C@H]2NCc1cc(C#N)cs1 ZINC000093492340 375254176 /nfs/dbraw/zinc/25/41/76/375254176.db2.gz NZNJRMGNPFIQDN-CYBMUJFWSA-N 0 1 272.377 2.520 20 30 CFEDMN COC(=O)CCN(Cc1ccc(F)cc1C#N)CC(C)C ZINC000103141616 375717233 /nfs/dbraw/zinc/71/72/33/375717233.db2.gz FFJDQIVBNVFTQD-UHFFFAOYSA-N 0 1 292.354 2.718 20 30 CFEDMN CCc1ccc(C2=CCN(CC#CCOC)CC2)cc1 ZINC000678535573 542039451 /nfs/dbraw/zinc/03/94/51/542039451.db2.gz SJZQVIGVOGAQEN-UHFFFAOYSA-N 0 1 269.388 2.988 20 30 CFEDMN C=CC1CCN([C@@H](C)C(=O)NC2(C#N)CCCCC2)CC1 ZINC000111257793 375835791 /nfs/dbraw/zinc/83/57/91/375835791.db2.gz AXGFRWDDJGPHCD-AWEZNQCLSA-N 0 1 289.423 2.616 20 30 CFEDMN CC[C@H](NCC#CCOC)c1ccc(F)cc1F ZINC000678783698 542069548 /nfs/dbraw/zinc/06/95/48/542069548.db2.gz PZHGAIMEUYNYME-AWEZNQCLSA-N 0 1 253.292 2.655 20 30 CFEDMN C=C(C)CN(CC)CC(=O)NCCO[C@@H]1CCCC[C@@H]1C ZINC000114712463 376082125 /nfs/dbraw/zinc/08/21/25/376082125.db2.gz NIUJKRVEMRNGLM-JKSUJKDBSA-N 0 1 296.455 2.596 20 30 CFEDMN CC(C)(NCCOc1cccc(C#N)c1)c1nccs1 ZINC000118847956 376320396 /nfs/dbraw/zinc/32/03/96/376320396.db2.gz RLOIVNPNNLGETK-UHFFFAOYSA-N 0 1 287.388 2.918 20 30 CFEDMN CN(Cc1ccc(C#N)s1)C[C@H]1CCCCO1 ZINC000118943765 376324610 /nfs/dbraw/zinc/32/46/10/376324610.db2.gz FNBYSQNIIACTQM-LLVKDONJSA-N 0 1 250.367 2.621 20 30 CFEDMN N#Cc1ccc(N2CC[C@H](N3CCC4(CCC4)C3)C2=O)cc1 ZINC000123144959 376946750 /nfs/dbraw/zinc/94/67/50/376946750.db2.gz NFTGFQLEJAOUCG-INIZCTEOSA-N 0 1 295.386 2.540 20 30 CFEDMN N#Cc1ccc(C(F)(F)F)c(N2CCN(C3CC3)CC2)c1 ZINC000128114244 377317316 /nfs/dbraw/zinc/31/73/16/377317316.db2.gz XDSCIRWBWVQJBC-UHFFFAOYSA-N 0 1 295.308 2.861 20 30 CFEDMN COCC1CCN(CC#Cc2ccc(F)cc2)CC1 ZINC000129172938 377393658 /nfs/dbraw/zinc/39/36/58/377393658.db2.gz JMTBBWLNNADHBB-UHFFFAOYSA-N 0 1 261.340 2.536 20 30 CFEDMN C=CCc1cc(CN2CC=CCC2)cc(OC)c1O ZINC000679358478 542178393 /nfs/dbraw/zinc/17/83/93/542178393.db2.gz GVZVYMNKDPDGHL-UHFFFAOYSA-N 0 1 259.349 2.891 20 30 CFEDMN C=CC1CCN(C(=O)c2cccc(-c3nnc[nH]3)c2)CC1 ZINC000131431148 377710983 /nfs/dbraw/zinc/71/09/83/377710983.db2.gz MYSMFNJZEUFTOA-UHFFFAOYSA-N 0 1 282.347 2.510 20 30 CFEDMN C=CCCCN(C)C(=O)NCc1nc2cccc(C)c2[nH]1 ZINC000131838626 377764891 /nfs/dbraw/zinc/76/48/91/377764891.db2.gz FEDVDJSKTWXXIM-UHFFFAOYSA-N 0 1 286.379 2.979 20 30 CFEDMN C=CCC[C@@H](O)C[N@@H+]1CCCC[C@H]1c1cccn1C ZINC000132861460 377883838 /nfs/dbraw/zinc/88/38/38/377883838.db2.gz ZLEHPNWOZJVOST-ZBFHGGJFSA-N 0 1 262.397 2.879 20 30 CFEDMN C=CCCN1CCN(C(=O)c2ccc(CC)cc2)CC1 ZINC000132484761 377845424 /nfs/dbraw/zinc/84/54/24/377845424.db2.gz WPWJPRMRFTZBCN-UHFFFAOYSA-N 0 1 272.392 2.583 20 30 CFEDMN Cc1cc(C[C@H](C)Nc2ccc(C#N)cc2[N+](=O)[O-])[nH]n1 ZINC000133510543 377935666 /nfs/dbraw/zinc/93/56/66/377935666.db2.gz KEWRNLYLHSCSIA-VIFPVBQESA-N 0 1 285.307 2.541 20 30 CFEDMN Cc1cc(C[C@@H](C)Nc2cccc(F)c2C#N)[nH]n1 ZINC000133526757 377937281 /nfs/dbraw/zinc/93/72/81/377937281.db2.gz VPZQVMBIACJQQU-SECBINFHSA-N 0 1 258.300 2.772 20 30 CFEDMN C[C@H](C(=O)Nc1ccccc1C#N)N(C)CCC1CC1 ZINC000135267400 378106969 /nfs/dbraw/zinc/10/69/69/378106969.db2.gz XXBHSPVYYBOJFP-GFCCVEGCSA-N 0 1 271.364 2.617 20 30 CFEDMN Cc1oc(NC(=O)[C@H](C)N(C)CCC2CC2)c(C#N)c1C ZINC000135273109 378108129 /nfs/dbraw/zinc/10/81/29/378108129.db2.gz GEYNZDSDPSRTOJ-NSHDSACASA-N 0 1 289.379 2.827 20 30 CFEDMN N#Cc1ccc(CNCc2cccc([N+](=O)[O-])c2)s1 ZINC000135688136 378158322 /nfs/dbraw/zinc/15/83/22/378158322.db2.gz LECHKWQVTGPEHA-UHFFFAOYSA-N 0 1 273.317 2.818 20 30 CFEDMN C=C(C)COc1cccc(NC(=O)Cc2cc(C)[nH]n2)c1 ZINC000151101635 378294101 /nfs/dbraw/zinc/29/41/01/378294101.db2.gz XHNCCJXSSHVBNU-UHFFFAOYSA-N 0 1 285.347 2.854 20 30 CFEDMN Cc1ccc(C)c(N2CCN(CCCC#N)CC2)c1 ZINC000143092625 378243614 /nfs/dbraw/zinc/24/36/14/378243614.db2.gz QEQYLALWCOHYBA-UHFFFAOYSA-N 0 1 257.381 2.729 20 30 CFEDMN Cc1nc2cccc(C(=O)N[C@]3(C)CCCOC3)c2[nH]1 ZINC000328696457 378416313 /nfs/dbraw/zinc/41/63/13/378416313.db2.gz KVJYKNZDUMAZEP-OAHLLOKOSA-N 0 1 273.336 2.745 20 30 CFEDMN C[C@@H]1CCC[C@@H]1NC(=O)N1CCC(c2cnc[nH]2)CC1 ZINC000328706446 378416399 /nfs/dbraw/zinc/41/63/99/378416399.db2.gz LKLLXSCHVOANOW-YPMHNXCESA-N 0 1 276.384 2.692 20 30 CFEDMN C[C@@H]1CCC[C@H](CNC(=O)[C@H]2CCc3[nH]nnc3C2)C1 ZINC000328966796 378446213 /nfs/dbraw/zinc/44/62/13/378446213.db2.gz STFSBTDOHFFBET-WOPDTQHZSA-N 0 1 276.384 2.692 20 30 CFEDMN C[C@@H]1CCC[C@H](CNC(=O)[C@H]2CCc3nn[nH]c3C2)C1 ZINC000328966796 378446220 /nfs/dbraw/zinc/44/62/20/378446220.db2.gz STFSBTDOHFFBET-WOPDTQHZSA-N 0 1 276.384 2.692 20 30 CFEDMN C[C@@H]1CCC[C@H](NC(=O)[C@@H]2CCc3[nH]nnc3C2)CC1 ZINC000329039688 378447447 /nfs/dbraw/zinc/44/74/47/378447447.db2.gz NZWDEONNPFMHKT-UTUOFQBUSA-N 0 1 276.384 2.835 20 30 CFEDMN C[C@@H]1CCC[C@H](NC(=O)[C@@H]2CCc3nn[nH]c3C2)CC1 ZINC000329039688 378447452 /nfs/dbraw/zinc/44/74/52/378447452.db2.gz NZWDEONNPFMHKT-UTUOFQBUSA-N 0 1 276.384 2.835 20 30 CFEDMN C[C@@H]1CN(C(=O)OC(C)(C)C)CCN1CCCCC#N ZINC000152992185 378465644 /nfs/dbraw/zinc/46/56/44/378465644.db2.gz PRJALFWBIJFOEW-CYBMUJFWSA-N 0 1 281.400 2.621 20 30 CFEDMN CN(C)c1ccncc1C(=O)N[C@@H]1CCOC2(CCC2)C1 ZINC000329601587 378467428 /nfs/dbraw/zinc/46/74/28/378467428.db2.gz XRZQYHLTMJXCML-GFCCVEGCSA-N 0 1 289.379 2.554 20 30 CFEDMN CCc1onc(C)c1C(=O)NCCN1CC=C(C)CC1 ZINC000328799205 378427457 /nfs/dbraw/zinc/42/74/57/378427457.db2.gz XKRFMUGMUZBJEC-UHFFFAOYSA-N 0 1 277.368 2.502 20 30 CFEDMN CC(C)c1nc([C@H](C)NC(=O)NC2CCCCC2)n[nH]1 ZINC000328910027 378439430 /nfs/dbraw/zinc/43/94/30/378439430.db2.gz NFBRMQULMUIWJS-JTQLQIEISA-N 0 1 279.388 2.825 20 30 CFEDMN CC(C)c1nc([C@@H](C)NC(=O)NC2CCCCC2)n[nH]1 ZINC000328910028 378439904 /nfs/dbraw/zinc/43/99/04/378439904.db2.gz NFBRMQULMUIWJS-SNVBAGLBSA-N 0 1 279.388 2.825 20 30 CFEDMN C[C@H]1C[C@H](C(=O)Nc2ccc3[nH]nnc3c2)CCC1=O ZINC000328928776 378441250 /nfs/dbraw/zinc/44/12/50/378441250.db2.gz GTFHCVRZRKHJJE-DTWKUNHWSA-N 0 1 272.308 2.551 20 30 CFEDMN CC[C@@H]1CCCN(C(=O)N[C@@H]2CCc3nc[nH]c3C2)CC1 ZINC000329740493 378488899 /nfs/dbraw/zinc/48/88/99/378488899.db2.gz OAJSNXNYULFGNI-CHWSQXEVSA-N 0 1 290.411 2.693 20 30 CFEDMN O=C(N[C@@H]1CCCC(F)(F)C1)N1CC[C@@H](n2cccn2)C1 ZINC000329799658 378498188 /nfs/dbraw/zinc/49/81/88/378498188.db2.gz IGPGODSKSXZUJN-VXGBXAGGSA-N 0 1 298.337 2.622 20 30 CFEDMN C[C@H](CCC1CC1)[NH+]=C([O-])N1CCC[C@H]1Cn1ccnc1 ZINC000329948398 378517608 /nfs/dbraw/zinc/51/76/08/378517608.db2.gz KROIJWFRJSDJPO-HIFRSBDPSA-N 0 1 290.411 2.840 20 30 CFEDMN O=C(N[C@H]1CC[N@H+](C2CC2)C1)c1coc(C2CCCC2)n1 ZINC000329963888 378519108 /nfs/dbraw/zinc/51/91/08/378519108.db2.gz QFSPSQITJWPEJQ-LBPRGKRZSA-N 0 1 289.379 2.874 20 30 CFEDMN O=C(N[C@H]1CCN(C2CC2)C1)c1coc(C2CCCC2)n1 ZINC000329963888 378519113 /nfs/dbraw/zinc/51/91/13/378519113.db2.gz QFSPSQITJWPEJQ-LBPRGKRZSA-N 0 1 289.379 2.874 20 30 CFEDMN Cc1nc(C(=O)Nc2c(C)n[nH]c2C(F)F)c(C)o1 ZINC000330557978 378584200 /nfs/dbraw/zinc/58/42/00/378584200.db2.gz WVCKJBBELKLAEF-UHFFFAOYSA-N 0 1 270.239 2.897 20 30 CFEDMN Cc1coc(C)c1C(=O)NC[C@H]1CN(CC(C)C)CCO1 ZINC000330477320 378567142 /nfs/dbraw/zinc/56/71/42/378567142.db2.gz WDLNMGFJHPCVOP-AWEZNQCLSA-N 0 1 294.395 2.558 20 30 CFEDMN C=CCC(CC=C)C(=O)Nc1ccc2[nH]nnc2c1 ZINC000154066411 378536182 /nfs/dbraw/zinc/53/61/82/378536182.db2.gz OBCXMFZZGLIDHB-UHFFFAOYSA-N 0 1 256.309 2.665 20 30 CFEDMN C#CCN1CCC(C(=O)N2CCC[C@H]2[C@H](C)CCC)CC1 ZINC000155800766 378632223 /nfs/dbraw/zinc/63/22/23/378632223.db2.gz DANOECBSMKQVAS-WBVHZDCISA-N 0 1 290.451 2.759 20 30 CFEDMN C#CCN(CC(=O)NCc1sccc1C)C1CCCC1 ZINC000155772978 378632493 /nfs/dbraw/zinc/63/24/93/378632493.db2.gz GUUVUGRXPOIWDR-UHFFFAOYSA-N 0 1 290.432 2.551 20 30 CFEDMN C=CC[C@H]1CCCC[C@H]1NC(=O)[C@@H]1C[C@H]1c1cnc[nH]1 ZINC000636156094 383730347 /nfs/dbraw/zinc/73/03/47/383730347.db2.gz IQNDANBFAAKXEX-REWJHTLYSA-N 0 1 273.380 2.764 20 30 CFEDMN CC1(C)CCN(C[C@H](C#N)CCC#N)CCS1 ZINC000331994456 378717518 /nfs/dbraw/zinc/71/75/18/378717518.db2.gz NYKLISKBEMYQJM-LBPRGKRZSA-N 0 1 251.399 2.647 20 30 CFEDMN Cc1cc([C@@H]2CCCN(c3cc(C)ncc3C#N)C2)[nH]n1 ZINC000333416403 378822305 /nfs/dbraw/zinc/82/23/05/378822305.db2.gz IEZMWSWHLILUMQ-CYBMUJFWSA-N 0 1 281.363 2.677 20 30 CFEDMN N#Cc1ccc(CN2CCC[C@@H](CO)CC2)c(Cl)c1 ZINC000334193391 378907516 /nfs/dbraw/zinc/90/75/16/378907516.db2.gz IMNSWLUUVRRWDT-GFCCVEGCSA-N 0 1 278.783 2.806 20 30 CFEDMN C=CCCCCCN(C)C(=O)CN(C)[C@@H]1CCSC1 ZINC000163192408 378959226 /nfs/dbraw/zinc/95/92/26/378959226.db2.gz NTCNXVXXUZCADD-CQSZACIVSA-N 0 1 284.469 2.629 20 30 CFEDMN C=C[C@H]1CCCCN1C(=O)c1cccc2c[nH]nc21 ZINC000334342762 379125454 /nfs/dbraw/zinc/12/54/54/379125454.db2.gz KZVMKMBQBPQXQV-LBPRGKRZSA-N 0 1 255.321 2.744 20 30 CFEDMN C[C@H](NC1(c2cccc(C#N)c2)CC1)c1ccnn1C ZINC000278898615 194203125 /nfs/dbraw/zinc/20/31/25/194203125.db2.gz ZDMHIHRKHLPYMP-LBPRGKRZSA-N 0 1 266.348 2.632 20 30 CFEDMN CC[C@@H](C)CN(C)CC(=O)Nc1sccc1C#N ZINC000171952534 379450088 /nfs/dbraw/zinc/45/00/88/379450088.db2.gz RXVAVPACDJVCJH-SNVBAGLBSA-N 0 1 265.382 2.536 20 30 CFEDMN Cc1[nH]ncc1C(=O)Nc1cc(C#N)ccc1OC(C)C ZINC000171800182 379404151 /nfs/dbraw/zinc/40/41/51/379404151.db2.gz FWKWSVZINNLOMJ-UHFFFAOYSA-N 0 1 284.319 2.629 20 30 CFEDMN C[C@H]1CC[N@@H+](CCC2(C#N)CCCCC2)C[C@H]1O ZINC000334560694 379529802 /nfs/dbraw/zinc/52/98/02/379529802.db2.gz FNHKEPWSTJRVMT-UONOGXRCSA-N 0 1 250.386 2.553 20 30 CFEDMN Cn1cc(CN[C@H]2CSc3ccccc32)cc1C#N ZINC000334551274 379511178 /nfs/dbraw/zinc/51/11/78/379511178.db2.gz XDLHEJCHTDJKGX-AWEZNQCLSA-N 0 1 269.373 2.833 20 30 CFEDMN N#Cc1ccc(CN2CC[C@H](O)CC23CCC3)c(F)c1 ZINC000335606742 379593703 /nfs/dbraw/zinc/59/37/03/379593703.db2.gz BKYXWEROJVYGJM-AWEZNQCLSA-N 0 1 274.339 2.577 20 30 CFEDMN N#Cc1ccc(CN2CC[C@@H](O)CC23CCC3)c(F)c1 ZINC000335606743 379594067 /nfs/dbraw/zinc/59/40/67/379594067.db2.gz BKYXWEROJVYGJM-CQSZACIVSA-N 0 1 274.339 2.577 20 30 CFEDMN C=CCCCCCN(C)C(=O)c1n[nH]c(CC)c1[N+](=O)[O-] ZINC000172412303 379562621 /nfs/dbraw/zinc/56/26/21/379562621.db2.gz WKLBEBGNDFWEHX-UHFFFAOYSA-N 0 1 294.355 2.699 20 30 CFEDMN CC(C)[C@H]1N(Cc2ccc(C#N)o2)CC12CCOCC2 ZINC000335641195 379647532 /nfs/dbraw/zinc/64/75/32/379647532.db2.gz WCESRLHGEKXRQM-OAHLLOKOSA-N 0 1 274.364 2.788 20 30 CFEDMN CN(Cc1nnc(-c2ccc(C#N)cc2)o1)C1CCCC1 ZINC000173482908 379743298 /nfs/dbraw/zinc/74/32/98/379743298.db2.gz PQEJSCLFFNRFQK-UHFFFAOYSA-N 0 1 282.347 2.983 20 30 CFEDMN Cc1nc(CSc2cccc(Cl)c2C#N)n[nH]1 ZINC000335744352 379820252 /nfs/dbraw/zinc/82/02/52/379820252.db2.gz SAWKCXHGLHSIOO-UHFFFAOYSA-N 0 1 264.741 2.931 20 30 CFEDMN N#Cc1ccc(C[N@H+]2CCC[C@@]3(CCSC3)C2)o1 ZINC000334747245 379872433 /nfs/dbraw/zinc/87/24/33/379872433.db2.gz MNDNLBDRZXQHLZ-CQSZACIVSA-N 0 1 262.378 2.870 20 30 CFEDMN N#Cc1ccc(CN2CCC[C@@]3(CCSC3)C2)o1 ZINC000334747245 379872436 /nfs/dbraw/zinc/87/24/36/379872436.db2.gz MNDNLBDRZXQHLZ-CQSZACIVSA-N 0 1 262.378 2.870 20 30 CFEDMN CC[C@@H]1CN(Cc2cc(C#N)cs2)CCCO1 ZINC000335816154 379935688 /nfs/dbraw/zinc/93/56/88/379935688.db2.gz UXIQOUZQZKNPBU-GFCCVEGCSA-N 0 1 250.367 2.621 20 30 CFEDMN N#Cc1ccc2c(c1)N(C(=O)c1c(O)cccc1F)CC2 ZINC000335876310 380035343 /nfs/dbraw/zinc/03/53/43/380035343.db2.gz WCPSPWWNVCTKSR-UHFFFAOYSA-N 0 1 282.274 2.606 20 30 CFEDMN CN(CC(C)(C)C#N)C(=O)c1ccc(O)c(Cl)c1 ZINC000335865870 380019215 /nfs/dbraw/zinc/01/92/15/380019215.db2.gz VOYBFOSJTWFBAW-UHFFFAOYSA-N 0 1 266.728 2.667 20 30 CFEDMN N#Cc1ccccc1C[N@H+]1C[C@H](O)C[C@@H]1c1ccccc1 ZINC000335251569 380083607 /nfs/dbraw/zinc/08/36/07/380083607.db2.gz YJPXMDZSYZYRON-QZTJIDSGSA-N 0 1 278.355 2.866 20 30 CFEDMN N#Cc1ccccc1CN1C[C@H](O)C[C@@H]1c1ccccc1 ZINC000335251569 380083616 /nfs/dbraw/zinc/08/36/16/380083616.db2.gz YJPXMDZSYZYRON-QZTJIDSGSA-N 0 1 278.355 2.866 20 30 CFEDMN Cc1n[nH]c(C(F)F)c1NC(=O)c1ccc(C#N)cc1 ZINC000335949398 380146719 /nfs/dbraw/zinc/14/67/19/380146719.db2.gz ZFZLZVOZDWIGGK-UHFFFAOYSA-N 0 1 276.246 2.780 20 30 CFEDMN N#Cc1cc(C(=O)Nc2cc(Cl)c(O)cc2F)c[nH]1 ZINC000335955801 380156227 /nfs/dbraw/zinc/15/62/27/380156227.db2.gz VHIYVLIPAFSXPC-UHFFFAOYSA-N 0 1 279.658 2.637 20 30 CFEDMN C#CCCCCc1nc(-c2ccn3cncc3c2)no1 ZINC000279042383 194261257 /nfs/dbraw/zinc/26/12/57/194261257.db2.gz AJKZMHNIEGKBDO-UHFFFAOYSA-N 0 1 266.304 2.730 20 30 CFEDMN Cc1noc(C)c1CN[C@H]1CCc2ccc(C#N)cc21 ZINC000336004135 380222568 /nfs/dbraw/zinc/22/25/68/380222568.db2.gz BWDNEHZFTDDZSA-INIZCTEOSA-N 0 1 267.332 2.940 20 30 CFEDMN CC1(CN2C[C@@H](C#N)[C@@]3(C2)c2ccccc2NC3=O)CCC1 ZINC000336137231 380273145 /nfs/dbraw/zinc/27/31/45/380273145.db2.gz CDKRGOYGVPQJSC-ACJLOTCBSA-N 0 1 295.386 2.522 20 30 CFEDMN C[C@H]1C[C@@]1(C#N)C(=O)Nc1cc(F)cc(Cl)c1O ZINC000336265222 380302824 /nfs/dbraw/zinc/30/28/24/380302824.db2.gz AEUPROZOWYMTSY-QTTZVWFDSA-N 0 1 268.675 2.673 20 30 CFEDMN C[C@@H]1CSC[C@H]1NCc1cccc(F)c1C#N ZINC000336515270 380394795 /nfs/dbraw/zinc/39/47/95/380394795.db2.gz NGXQAXJXKKQEAW-NOZJJQNGSA-N 0 1 250.342 2.538 20 30 CFEDMN COC(=O)[C@]1(C)CCN(CC#Cc2cccc(Cl)c2)C1 ZINC000178487309 380456613 /nfs/dbraw/zinc/45/66/13/380456613.db2.gz HSXIZXNVUUOQGM-MRXNPFEDSA-N 0 1 291.778 2.577 20 30 CFEDMN Cc1cnn(C)c1CN1CC=C(c2ccc(C#N)cc2)CC1 ZINC000336558445 380464450 /nfs/dbraw/zinc/46/44/50/380464450.db2.gz NVJAMSNDROOHKP-UHFFFAOYSA-N 0 1 292.386 2.890 20 30 CFEDMN C=C[C@@H]1CCCC[N@@H+]1Cc1cc(=O)n2c(C)cccc2n1 ZINC000336569046 380480847 /nfs/dbraw/zinc/48/08/47/380480847.db2.gz IBRIUQWNIKHDLX-OAHLLOKOSA-N 0 1 283.375 2.543 20 30 CFEDMN C=C[C@@H]1CCCCN1Cc1cc(=O)n2c(C)cccc2n1 ZINC000336569046 380480856 /nfs/dbraw/zinc/48/08/56/380480856.db2.gz IBRIUQWNIKHDLX-OAHLLOKOSA-N 0 1 283.375 2.543 20 30 CFEDMN C=CCNC(=O)CN[C@@H](C)c1ccc(OCC(C)C)cc1 ZINC000181397775 380786799 /nfs/dbraw/zinc/78/67/99/380786799.db2.gz FXNGSZNSQRMOMQ-AWEZNQCLSA-N 0 1 290.407 2.674 20 30 CFEDMN C[C@@H](CC#N)N(C)CC1CCN(C(=O)C(C)(C)C)CC1 ZINC000181743084 380881690 /nfs/dbraw/zinc/88/16/90/380881690.db2.gz YUTJJYFIEMAFAO-ZDUSSCGKSA-N 0 1 279.428 2.505 20 30 CFEDMN C=C(CC)CN1CCNC(=O)C[C@@H]1c1ccccc1 ZINC000358494863 380881744 /nfs/dbraw/zinc/88/17/44/380881744.db2.gz GDOBTMRZQCJPJP-OAHLLOKOSA-N 0 1 258.365 2.516 20 30 CFEDMN C=C(CC)CN1CCCN(C(=O)c2ccc(F)cc2)CC1 ZINC000358503681 380889922 /nfs/dbraw/zinc/88/99/22/380889922.db2.gz DNOHUHOTIVKULW-UHFFFAOYSA-N 0 1 290.382 2.940 20 30 CFEDMN CCN(Cc1ccc(Br)cc1C#N)C[C@@H](C)O ZINC000347122994 380953155 /nfs/dbraw/zinc/95/31/55/380953155.db2.gz BTMWNZBQKYRLQC-SNVBAGLBSA-N 0 1 297.196 2.523 20 30 CFEDMN CC[C@@H](CC(C)C)C(=O)N=c1[nH]n(C(C)(C)C)cc1C#N ZINC000410542129 380982752 /nfs/dbraw/zinc/98/27/52/380982752.db2.gz UKAYLTIYAFIMOR-LBPRGKRZSA-N 0 1 290.411 2.942 20 30 CFEDMN CCc1nc([C@H](C)N[C@@H](C)c2ccc(C#N)cc2F)n[nH]1 ZINC000358571145 380940320 /nfs/dbraw/zinc/94/03/20/380940320.db2.gz OFQIKVJLXGPSGU-UWVGGRQHSA-N 0 1 287.342 2.790 20 30 CFEDMN C[C@@H]1CN(CCC2(C#N)CCCCC2)[C@@H](C)CO1 ZINC000411147687 381013590 /nfs/dbraw/zinc/01/35/90/381013590.db2.gz PZCNAKNPASNGQU-UONOGXRCSA-N 0 1 250.386 2.960 20 30 CFEDMN C=CC1CCN([C@@H]2CCN(c3ccc(F)cc3)C2=O)CC1 ZINC000411254821 381019677 /nfs/dbraw/zinc/01/96/77/381019677.db2.gz OJDUUGQZWHSLDY-MRXNPFEDSA-N 0 1 288.366 2.829 20 30 CFEDMN C[C@H](CCC#N)N1CCN(Cc2cccc(F)c2)CC1 ZINC000411324602 381022900 /nfs/dbraw/zinc/02/29/00/381022900.db2.gz LBHNKETWPVPLLB-CQSZACIVSA-N 0 1 275.371 2.636 20 30 CFEDMN C=C[C@H](CC(=O)N1C[C@H](C)N(C)[C@@H](C)C1)c1ccccc1 ZINC000358704366 381023885 /nfs/dbraw/zinc/02/38/85/381023885.db2.gz HRNDPVWZOQGPOY-HRCADAONSA-N 0 1 286.419 2.897 20 30 CFEDMN COc1cc(C#N)ccc1CN1CCC[C@H]2COCC[C@H]21 ZINC000347250431 381028562 /nfs/dbraw/zinc/02/85/62/381028562.db2.gz NVOZRMGXIQVCDX-JKSUJKDBSA-N 0 1 286.375 2.568 20 30 CFEDMN Cn1cc(CN2CCC=C(c3ccco3)C2)cc1C#N ZINC000289571391 381049840 /nfs/dbraw/zinc/04/98/40/381049840.db2.gz SMIUEAZHIOVNPP-UHFFFAOYSA-N 0 1 267.332 2.779 20 30 CFEDMN C[C@H]1CCN(CC(=O)NCc2cccc(C#N)c2)CC1(C)C ZINC000354032376 381033715 /nfs/dbraw/zinc/03/37/15/381033715.db2.gz ZEUISKAHOXYPSA-AWEZNQCLSA-N 0 1 299.418 2.542 20 30 CFEDMN CC(C)[C@](C)(C#N)NC(=O)[C@@H](C)N1CC[C@@H](C)C(C)(C)C1 ZINC000354042428 381039369 /nfs/dbraw/zinc/03/93/69/381039369.db2.gz NDTNQAVKRBCBQB-CPUCHLNUSA-N 0 1 293.455 2.797 20 30 CFEDMN N#CCCN(C[C@H](O)CCc1ccccc1)CC1CC1 ZINC000182436841 381089542 /nfs/dbraw/zinc/08/95/42/381089542.db2.gz YUNBYZKALBCJST-QGZVFWFLSA-N 0 1 272.392 2.606 20 30 CFEDMN CC[C@H]1CN(C(C)=O)[C@@H](CC)CN1Cc1cccc(C#N)c1 ZINC000354117946 381089747 /nfs/dbraw/zinc/08/97/47/381089747.db2.gz UIXPNCGVLAOJGM-ROUUACIJSA-N 0 1 299.418 2.780 20 30 CFEDMN C=C[C@@H](CO)NCc1cnc(-c2ccc(C)cc2)s1 ZINC000289676777 381098453 /nfs/dbraw/zinc/09/84/53/381098453.db2.gz CESSYTAOBSAFHE-ZDUSSCGKSA-N 0 1 274.389 2.755 20 30 CFEDMN COc1cc(C#N)ccc1CN1CC[C@@H](n2cc(C)cn2)C1 ZINC000289718777 381119586 /nfs/dbraw/zinc/11/95/86/381119586.db2.gz CSUXMAJIENLWQP-MRXNPFEDSA-N 0 1 296.374 2.519 20 30 CFEDMN COc1cc(C#N)ccc1CN1CC[C@H](n2cc(C)cn2)C1 ZINC000289718773 381119927 /nfs/dbraw/zinc/11/99/27/381119927.db2.gz CSUXMAJIENLWQP-INIZCTEOSA-N 0 1 296.374 2.519 20 30 CFEDMN C=CC[C@@H](C)NCc1cn(-c2ccccc2C)nn1 ZINC000289766049 381144607 /nfs/dbraw/zinc/14/46/07/381144607.db2.gz OYTKTTABFMZIGC-CYBMUJFWSA-N 0 1 256.353 2.630 20 30 CFEDMN Cc1cc(S(=O)(=O)Nc2cc(C#N)ccc2C)c(C)o1 ZINC000182789262 381158220 /nfs/dbraw/zinc/15/82/20/381158220.db2.gz RXTGSFDIYHCKSD-UHFFFAOYSA-N 0 1 290.344 2.877 20 30 CFEDMN N#Cc1cc(C(=O)Nc2nc3ccc(F)cc3[nH]2)ccc1F ZINC000341665180 381159074 /nfs/dbraw/zinc/15/90/74/381159074.db2.gz YONGQKZCKHSZMB-UHFFFAOYSA-N 0 1 298.252 2.965 20 30 CFEDMN CC#CCCNCc1c(C)nn(CC(C)C)c1OCC ZINC000354180995 381125799 /nfs/dbraw/zinc/12/57/99/381125799.db2.gz SRJUPVXVZNJKOU-UHFFFAOYSA-N 0 1 277.412 2.749 20 30 CFEDMN CCN(CCC#N)C(=O)CN[C@@H](C)c1cc2ccccc2o1 ZINC000182645115 381126072 /nfs/dbraw/zinc/12/60/72/381126072.db2.gz DRWMSIZHPWYGLB-ZDUSSCGKSA-N 0 1 299.374 2.846 20 30 CFEDMN Cc1ccc(C(=O)N[C@@H]2CC[N@H+](C3CCCC3)C2)cc1C#N ZINC000369111743 381195133 /nfs/dbraw/zinc/19/51/33/381195133.db2.gz IRVCHKPXHPXOPJ-MRXNPFEDSA-N 0 1 297.402 2.613 20 30 CFEDMN Cn1cc(CN2CCC=C(c3ccncc3)C2)cc1C#N ZINC000289941753 381227562 /nfs/dbraw/zinc/22/75/62/381227562.db2.gz YHBWLSATLUJHBX-UHFFFAOYSA-N 0 1 278.359 2.581 20 30 CFEDMN COc1ccc(CN[C@H](C)c2cccc(C#N)c2)c(OC)n1 ZINC000290061849 381282730 /nfs/dbraw/zinc/28/27/30/381282730.db2.gz FPSQZJVAMXSKQA-GFCCVEGCSA-N 0 1 297.358 2.821 20 30 CFEDMN Cc1cc([C@H](C)NCC(=O)N[C@@](C)(C#N)C(C)C)c(C)o1 ZINC000183792584 381321008 /nfs/dbraw/zinc/32/10/08/381321008.db2.gz ZIWWCCJIPPRXME-LRDDRELGSA-N 0 1 291.395 2.602 20 30 CFEDMN CC(C)(C)[C@H]1CCN(Cc2cccc(C#N)c2F)C[C@H]1O ZINC000347781166 381346651 /nfs/dbraw/zinc/34/66/51/381346651.db2.gz GRXBMSFEPWMAMC-LSDHHAIUSA-N 0 1 290.382 2.926 20 30 CFEDMN CS[C@H]1CCN(Cc2cn3ccccc3c2C#N)C1 ZINC000296342968 381354479 /nfs/dbraw/zinc/35/44/79/381354479.db2.gz PYNRIXICFIRTKP-ZDUSSCGKSA-N 0 1 271.389 2.748 20 30 CFEDMN CC(C)(O)C(C)(C)NCc1ncc(-c2ccc(C#N)cc2)o1 ZINC000370327836 381428456 /nfs/dbraw/zinc/42/84/56/381428456.db2.gz VCYXQAJKYLZRTH-UHFFFAOYSA-N 0 1 299.374 2.852 20 30 CFEDMN CC(C)[C@@](C)(C#N)NC(=O)[C@H](C)N1CCCC2(CCC2)C1 ZINC000348173647 381467512 /nfs/dbraw/zinc/46/75/12/381467512.db2.gz ALZZYCSIESNGPT-GOEBONIOSA-N 0 1 291.439 2.695 20 30 CFEDMN C=CCCN(C)CC(=O)N[C@@H](C)Cc1c(F)cccc1F ZINC000342730219 381506072 /nfs/dbraw/zinc/50/60/72/381506072.db2.gz IVCUZEVHGWULTH-LBPRGKRZSA-N 0 1 296.361 2.520 20 30 CFEDMN C[C@@H](c1ccc(C#N)cc1)N1CC[C@@H](NC(=O)C2CCC2)C1 ZINC000370906610 381511930 /nfs/dbraw/zinc/51/19/30/381511930.db2.gz WSBFYWWJSVYGKQ-SUMWQHHRSA-N 0 1 297.402 2.610 20 30 CFEDMN C=C(C)C[C@@H](C)C(=O)N1CC(N(C)Cc2ccccc2)C1 ZINC000342745561 381513041 /nfs/dbraw/zinc/51/30/41/381513041.db2.gz SSWHEMGPPKFZHM-OAHLLOKOSA-N 0 1 286.419 2.932 20 30 CFEDMN C=C(C)C[C@H](C)C(=O)N1CC(N(C)Cc2ccccc2)C1 ZINC000342745560 381514460 /nfs/dbraw/zinc/51/44/60/381514460.db2.gz SSWHEMGPPKFZHM-HNNXBMFYSA-N 0 1 286.419 2.932 20 30 CFEDMN C=CCCN[C@H](C)c1nc(-c2cccc(OC)c2)no1 ZINC000185125336 381541489 /nfs/dbraw/zinc/54/14/89/381541489.db2.gz APMGDNFDYJIAPI-LLVKDONJSA-N 0 1 273.336 2.972 20 30 CFEDMN C=CCCN(C)[C@H](C)C(=O)Nc1ccc(Cl)cn1 ZINC000342767259 381525202 /nfs/dbraw/zinc/52/52/02/381525202.db2.gz ZCSGMDBFEYYOQI-SNVBAGLBSA-N 0 1 267.760 2.570 20 30 CFEDMN CC#CC[N@@H+](C)CCc1nc(-c2ccc(Cl)cc2)no1 ZINC000298557002 381671663 /nfs/dbraw/zinc/67/16/63/381671663.db2.gz ZNMASIWEKKVSKI-UHFFFAOYSA-N 0 1 289.766 2.888 20 30 CFEDMN CC#CCN(C)CCc1nc(-c2ccc(Cl)cc2)no1 ZINC000298557002 381671669 /nfs/dbraw/zinc/67/16/69/381671669.db2.gz ZNMASIWEKKVSKI-UHFFFAOYSA-N 0 1 289.766 2.888 20 30 CFEDMN CN(CC1(C#N)CC1)C1CCN(C(=O)c2ccccc2)CC1 ZINC000343312382 381673481 /nfs/dbraw/zinc/67/34/81/381673481.db2.gz RLATZHNHJLYZAW-UHFFFAOYSA-N 0 1 297.402 2.527 20 30 CFEDMN C=CCCC(=O)NC1CCN(Cc2ccccc2F)CC1 ZINC000371523215 381650367 /nfs/dbraw/zinc/65/03/67/381650367.db2.gz HCFJBNXKWBQKJV-UHFFFAOYSA-N 0 1 290.382 2.873 20 30 CFEDMN N#CCC(=O)Nc1cc(Cl)cc(Br)c1O ZINC000185721943 381715543 /nfs/dbraw/zinc/71/55/43/381715543.db2.gz WHMVXQNGOQVKTJ-UHFFFAOYSA-N 0 1 289.516 2.660 20 30 CFEDMN N#Cc1ccc(CN2CCC([C@@H]3CCOC3)CC2)c(F)c1 ZINC000371741951 381690518 /nfs/dbraw/zinc/69/05/18/381690518.db2.gz BNOOLEYSEJBYKJ-MRXNPFEDSA-N 0 1 288.366 2.946 20 30 CFEDMN CC#CCCCC(=O)N[C@@H]1C[C@@H](C)[N@@H+](Cc2ccccc2)C1 ZINC000185838306 381752195 /nfs/dbraw/zinc/75/21/95/381752195.db2.gz SHEXYVHTYHWLCX-SJLPKXTDSA-N 0 1 298.430 2.959 20 30 CFEDMN C=CCN(CC=C)C(=O)CN[C@H](C)c1ccccc1OC ZINC000298713977 381721380 /nfs/dbraw/zinc/72/13/80/381721380.db2.gz XYWHQXJRVCXBNJ-CQSZACIVSA-N 0 1 288.391 2.546 20 30 CFEDMN CCC[C@H]1CN(C(=O)[C@@H](C)C#N)CCN1Cc1ccccc1 ZINC000343538820 381782761 /nfs/dbraw/zinc/78/27/61/381782761.db2.gz WBISBLKERQDTMC-RDJZCZTQSA-N 0 1 299.418 2.659 20 30 CFEDMN N#CCc1ccc(CN2CCC[C@](O)(C(F)(F)F)C2)cc1 ZINC000343547981 381788530 /nfs/dbraw/zinc/78/85/30/381788530.db2.gz HSCVKIDIXQHYTB-CQSZACIVSA-N 0 1 298.308 2.642 20 30 CFEDMN CC[C@H]1CN(Cc2ccc(CC#N)cc2)C[C@H](C)O1 ZINC000343507944 381760550 /nfs/dbraw/zinc/76/05/50/381760550.db2.gz HXXOWQHWACGGKG-BBRMVZONSA-N 0 1 258.365 2.752 20 30 CFEDMN Clc1ccc(C#CCN2CC[C@H](n3cccn3)C2)cc1 ZINC000291635905 381768798 /nfs/dbraw/zinc/76/87/98/381768798.db2.gz DLAWFPGABHXKOA-INIZCTEOSA-N 0 1 285.778 2.835 20 30 CFEDMN CNC(=O)C[C@@H](NCC#Cc1ccccc1)c1ccccc1 ZINC000361642102 381852764 /nfs/dbraw/zinc/85/27/64/381852764.db2.gz HCPPCUXZOQAEJP-GOSISDBHSA-N 0 1 292.382 2.505 20 30 CFEDMN C=CCN(C/C=C\c1ccccc1OC)CCOC ZINC000361643789 381853014 /nfs/dbraw/zinc/85/30/14/381853014.db2.gz NRCFPOPZFZMPQL-CLFYSBASSA-N 0 1 261.365 2.843 20 30 CFEDMN CCN(CC)C(=O)C1CCN(CC#Cc2ccccc2)CC1 ZINC000361712737 381857306 /nfs/dbraw/zinc/85/73/06/381857306.db2.gz UCAYKJCLEJOBQK-UHFFFAOYSA-N 0 1 298.430 2.619 20 30 CFEDMN CC[C@@]1(C)COCCN1Cc1ccc(CC#N)cc1 ZINC000343756749 381926459 /nfs/dbraw/zinc/92/64/59/381926459.db2.gz ZRPXSHJQDHHXMQ-INIZCTEOSA-N 0 1 258.365 2.754 20 30 CFEDMN C[C@H](c1cnn(C)c1)N(C)Cc1ccc(CC#N)cc1 ZINC000343816002 381960840 /nfs/dbraw/zinc/96/08/40/381960840.db2.gz MAGBXWRZWHMGLS-CYBMUJFWSA-N 0 1 268.364 2.679 20 30 CFEDMN C[C@H](C(=O)Nc1ccc(C#N)c(Cl)c1)N1CC[C@H](C)C1 ZINC000299564695 381985175 /nfs/dbraw/zinc/98/51/75/381985175.db2.gz AJOGWFDLOOLCFR-WDEREUQCSA-N 0 1 291.782 2.880 20 30 CFEDMN C=CC[C@H](CO)NCc1csc(-c2ccccc2)n1 ZINC000351591730 382045882 /nfs/dbraw/zinc/04/58/82/382045882.db2.gz GSWYCOGIHYRIQH-CYBMUJFWSA-N 0 1 274.389 2.837 20 30 CFEDMN C#CCN1CCC(C(=O)N2C[C@H]3CCCCCC[C@H]32)CC1 ZINC000374584980 382050120 /nfs/dbraw/zinc/05/01/20/382050120.db2.gz JREUIESKDBEOPY-IAGOWNOFSA-N 0 1 288.435 2.513 20 30 CFEDMN C=C(C)CN(CC)C(=O)CN(C)[C@@H]1C[C@](C)(OC)C1(C)C ZINC000362435052 382067511 /nfs/dbraw/zinc/06/75/11/382067511.db2.gz CCMKOPGUZIFEEU-PBHICJAKSA-N 0 1 296.455 2.546 20 30 CFEDMN C=CCC[C@@H](O)CN1CCc2c(cnn2-c2ccccc2)C1 ZINC000351472485 382040929 /nfs/dbraw/zinc/04/09/29/382040929.db2.gz OXTSOUQZUHAYRW-QGZVFWFLSA-N 0 1 297.402 2.558 20 30 CFEDMN C=C[C@](C)(CC)C(=O)N1C[C@H](C)N(CC)C[C@@H]1C ZINC000344068110 382104968 /nfs/dbraw/zinc/10/49/68/382104968.db2.gz ZLWIFLSWTVHVBT-KCQAQPDRSA-N 0 1 252.402 2.530 20 30 CFEDMN C=C[C@](C)(CC)C(=O)N1C[C@@H](C)N(CC)C[C@H]1C ZINC000344068111 382105185 /nfs/dbraw/zinc/10/51/85/382105185.db2.gz ZLWIFLSWTVHVBT-UMVBOHGHSA-N 0 1 252.402 2.530 20 30 CFEDMN CC#CCCCC(=O)N1CCC(c2cn[nH]c2C)CC1 ZINC000375938602 382113464 /nfs/dbraw/zinc/11/34/64/382113464.db2.gz SYQXYPCEITUEHU-UHFFFAOYSA-N 0 1 273.380 2.618 20 30 CFEDMN COc1cnccc1-c1nccc2[nH]cc(C#N)c21 ZINC001243072142 781971637 /nfs/dbraw/zinc/97/16/37/781971637.db2.gz ASIVFPBHGZDNCB-UHFFFAOYSA-N 0 1 250.261 2.505 20 30 CFEDMN N#Cc1c(CN2CC[C@@]3(C2)CCCOC3)cn2ccccc12 ZINC000375273141 382076693 /nfs/dbraw/zinc/07/66/93/382076693.db2.gz XPPJRJJSVQYJHM-GOSISDBHSA-N 0 1 295.386 2.813 20 30 CFEDMN COc1ccccc1[C@H](CNc1cccc(C#N)n1)N(C)C ZINC000301270253 382130812 /nfs/dbraw/zinc/13/08/12/382130812.db2.gz JMUVXEYEQUMBEY-HNNXBMFYSA-N 0 1 296.374 2.677 20 30 CFEDMN Fc1ccc(C#CCN2CCC([C@H]3CCOC3)CC2)cc1 ZINC000376341931 382131330 /nfs/dbraw/zinc/13/13/30/382131330.db2.gz SRUVWIRJFDHFRH-KRWDZBQOSA-N 0 1 287.378 2.926 20 30 CFEDMN CN(CCOCc1ccc(C#N)cc1)Cc1ccccn1 ZINC000344104099 382132065 /nfs/dbraw/zinc/13/20/65/382132065.db2.gz GQJUOYKFTWDNSJ-UHFFFAOYSA-N 0 1 281.359 2.602 20 30 CFEDMN Cc1nsc(N2CCN(CCCC(C)C)CC2)c1C#N ZINC000352166921 382204693 /nfs/dbraw/zinc/20/46/93/382204693.db2.gz IVKOTSCNJXTQKA-UHFFFAOYSA-N 0 1 292.452 2.881 20 30 CFEDMN C=C(C)COc1cc(CN2CC[C@H]2COC)ccc1OC ZINC000293653801 382216858 /nfs/dbraw/zinc/21/68/58/382216858.db2.gz NGOTVIQPIZRDEB-HNNXBMFYSA-N 0 1 291.391 2.871 20 30 CFEDMN CC#CCN1CCC[C@H](NC(=O)CCCc2ccccc2)C1 ZINC000352352296 382285804 /nfs/dbraw/zinc/28/58/04/382285804.db2.gz GPBKFGPZXOOCGI-SFHVURJKSA-N 0 1 298.430 2.613 20 30 CFEDMN COc1cc(CNc2ccnc(C)c2Cl)ccc1C#N ZINC000357621499 382256038 /nfs/dbraw/zinc/25/60/38/382256038.db2.gz ZLYDUTJPEAWBEF-UHFFFAOYSA-N 0 1 287.750 2.958 20 30 CFEDMN CC(C)CN1Cc2cccc(NC(=O)[C@@H](C)C#N)c2C1 ZINC000344499244 382265825 /nfs/dbraw/zinc/26/58/25/382265825.db2.gz QSMABRADHWPYBP-LBPRGKRZSA-N 0 1 271.364 2.756 20 30 CFEDMN C=CC1CCN(c2nc(C(F)(F)F)nc3[nH]cnc32)CC1 ZINC000302872505 382340251 /nfs/dbraw/zinc/34/02/51/382340251.db2.gz CJZRKWWEEOVQIM-UHFFFAOYSA-N 0 1 297.284 2.774 20 30 CFEDMN Cc1cnn(C)c1C(=O)[C@H](C#N)c1nc(C(C)C)cs1 ZINC000420278414 382340558 /nfs/dbraw/zinc/34/05/58/382340558.db2.gz NXFUCMTTZVDQOD-JTQLQIEISA-N 0 1 288.376 2.799 20 30 CFEDMN Cc1cnn(C)c1C(=O)C(C#N)c1nc(C(C)C)cs1 ZINC000420278414 382340562 /nfs/dbraw/zinc/34/05/62/382340562.db2.gz NXFUCMTTZVDQOD-JTQLQIEISA-N 0 1 288.376 2.799 20 30 CFEDMN Cc1cccc2nc([C@H](C#N)C(=O)c3cccnc3)[nH]c21 ZINC000345397791 382301294 /nfs/dbraw/zinc/30/12/94/382301294.db2.gz GJSYOPPGHZADIZ-GFCCVEGCSA-N 0 1 276.299 2.756 20 30 CFEDMN C=CCN(C(=O)[C@@H](C)N1CCc2ccccc2C1)C1CC1 ZINC000357945960 382387570 /nfs/dbraw/zinc/38/75/70/382387570.db2.gz RWIZRKLLXCKZDV-CQSZACIVSA-N 0 1 284.403 2.610 20 30 CFEDMN C=CCN(Cc1ccc(Cl)s1)C(=O)c1cnc[nH]1 ZINC000346520020 382395154 /nfs/dbraw/zinc/39/51/54/382395154.db2.gz HIWZUBWGBCOHMY-UHFFFAOYSA-N 0 1 281.768 2.953 20 30 CFEDMN OC[C@]1(NCC#Cc2ccc(F)cc2)CCc2ccccc21 ZINC000305713531 382442851 /nfs/dbraw/zinc/44/28/51/382442851.db2.gz GFOSUENLRVPIBE-LJQANCHMSA-N 0 1 295.357 2.601 20 30 CFEDMN OC[C@@]1(NCC#Cc2ccc(F)cc2)CCc2ccccc21 ZINC000305713530 382443420 /nfs/dbraw/zinc/44/34/20/382443420.db2.gz GFOSUENLRVPIBE-IBGZPJMESA-N 0 1 295.357 2.601 20 30 CFEDMN N#Cc1cccc(C[N@H+]2CC[C@@H](C(F)(F)F)[C@@H](CO)C2)c1 ZINC000352670597 382444715 /nfs/dbraw/zinc/44/47/15/382444715.db2.gz HCGBDIWGHBEAHA-ZIAGYGMSSA-N 0 1 298.308 2.551 20 30 CFEDMN N#Cc1cccc(CN2CC[C@@H](C(F)(F)F)[C@@H](CO)C2)c1 ZINC000352670597 382444718 /nfs/dbraw/zinc/44/47/18/382444718.db2.gz HCGBDIWGHBEAHA-ZIAGYGMSSA-N 0 1 298.308 2.551 20 30 CFEDMN N#CCCCCN[C@@H](c1ccc(F)cc1)c1cnccn1 ZINC000346550113 382407815 /nfs/dbraw/zinc/40/78/15/382407815.db2.gz DFPAEHGOZQRNBM-INIZCTEOSA-N 0 1 284.338 2.989 20 30 CFEDMN C=CC(C)(C)C(=O)NC[C@@H](c1cccs1)N(C)C ZINC000294289122 382496024 /nfs/dbraw/zinc/49/60/24/382496024.db2.gz HWIMUVYVRZUYCB-NSHDSACASA-N 0 1 266.410 2.679 20 30 CFEDMN C=C(C)CN(Cc1cnn(C(C)C)c1)C[C@@H](O)CSC ZINC000352921991 382483297 /nfs/dbraw/zinc/48/32/97/382483297.db2.gz NAFIAAXZJPLWKB-OAHLLOKOSA-N 0 1 297.468 2.566 20 30 CFEDMN CCCNC(=O)CN(Cc1ccc(C#N)cc1)CC(C)C ZINC000346790959 382512002 /nfs/dbraw/zinc/51/20/02/382512002.db2.gz GTLLATOGUZMWPT-UHFFFAOYSA-N 0 1 287.407 2.542 20 30 CFEDMN C=C(Br)CN1CCC[C@](C)(OC)CC1 ZINC000366475081 382515223 /nfs/dbraw/zinc/51/52/23/382515223.db2.gz LURJFRMZLSJGNW-NSHDSACASA-N 0 1 262.191 2.786 20 30 CFEDMN C=CCCc1ccccc1NC(=O)NCCCc1nc[nH]n1 ZINC000346801592 382519393 /nfs/dbraw/zinc/51/93/93/382519393.db2.gz GMJCDPBTEWCKIL-UHFFFAOYSA-N 0 1 299.378 2.678 20 30 CFEDMN CC1(O)C[C@H]2CC[C@@H](C1)N2Cc1cn2ccccc2c1C#N ZINC000366647069 382538559 /nfs/dbraw/zinc/53/85/59/382538559.db2.gz XKJWDWGJPCDISW-MVVMVCHASA-N 0 1 295.386 2.689 20 30 CFEDMN CN(C)c1ncccc1CN[C@@H]1CCc2ccc(C#N)cc21 ZINC000353425455 382544607 /nfs/dbraw/zinc/54/46/07/382544607.db2.gz KEIDRYMSHDNXPG-QGZVFWFLSA-N 0 1 292.386 2.796 20 30 CFEDMN CC[C@@H](CC#N)N[C@@H](C)CC(=O)Nc1cccc(OC)c1 ZINC000358305859 382559125 /nfs/dbraw/zinc/55/91/25/382559125.db2.gz XMITWGVQNXUTIA-STQMWFEESA-N 0 1 289.379 2.694 20 30 CFEDMN COc1cc(CN[C@H](C)c2cnc(C)nc2C)ccc1C#N ZINC000353609281 382575379 /nfs/dbraw/zinc/57/53/79/382575379.db2.gz KCXKIBGVWDUIAK-LLVKDONJSA-N 0 1 296.374 2.825 20 30 CFEDMN Cc1ccncc1CN(C)CCOc1cccc(C#N)c1 ZINC000353650414 382595116 /nfs/dbraw/zinc/59/51/16/382595116.db2.gz NCIBOXSCNOBRPU-UHFFFAOYSA-N 0 1 281.359 2.773 20 30 CFEDMN C=CCC1(C(=O)N[C@H](C)Cc2cc(C)[nH]n2)CCC1 ZINC000189533648 382621303 /nfs/dbraw/zinc/62/13/03/382621303.db2.gz MWJZPEKJKQBKRR-LLVKDONJSA-N 0 1 261.369 2.512 20 30 CFEDMN COc1cnccc1[C@H](C)NCc1cccc(C#N)c1 ZINC000189545084 382622493 /nfs/dbraw/zinc/62/24/93/382622493.db2.gz MGSPZMUOHITLEK-LBPRGKRZSA-N 0 1 267.332 2.813 20 30 CFEDMN C[C@H](NCc1cc(C#N)n(C)c1)c1cccc([N+](=O)[O-])c1 ZINC000189588269 382627934 /nfs/dbraw/zinc/62/79/34/382627934.db2.gz RILCXEHMMWUNEZ-NSHDSACASA-N 0 1 284.319 2.656 20 30 CFEDMN Cc1cc([C@H](C)NCC(=O)NC2(C#N)CCC2)c(C)s1 ZINC000346937910 382579165 /nfs/dbraw/zinc/57/91/65/382579165.db2.gz GUQHXLZYYOIXKM-NSHDSACASA-N 0 1 291.420 2.578 20 30 CFEDMN Cc1ccc(C(=O)[C@H](C#N)c2cnc3ccccc3n2)n1C ZINC000190998191 382687796 /nfs/dbraw/zinc/68/77/96/382687796.db2.gz RNDYPKBFCUGLRI-GFCCVEGCSA-N 0 1 290.326 2.767 20 30 CFEDMN CCN(Cc1cc(C#N)n(C)c1)Cc1cccs1 ZINC000191187305 382695090 /nfs/dbraw/zinc/69/50/90/382695090.db2.gz IXWNYMYCPZREJX-UHFFFAOYSA-N 0 1 259.378 2.980 20 30 CFEDMN Cc1ccc(CN(C)Cc2cc(C#N)n(C)c2)s1 ZINC000191317987 382698282 /nfs/dbraw/zinc/69/82/82/382698282.db2.gz KRNOJICKGMJKAC-UHFFFAOYSA-N 0 1 259.378 2.899 20 30 CFEDMN Cn1cccc1[C@H]1CCCCN1Cc1cc(C#N)n(C)c1 ZINC000191431022 382700216 /nfs/dbraw/zinc/70/02/16/382700216.db2.gz AKHRGQGYFQACRM-QGZVFWFLSA-N 0 1 282.391 2.962 20 30 CFEDMN C=C(C)CN1CCCN(C(=O)c2ccccc2F)CC1 ZINC000192561086 382710184 /nfs/dbraw/zinc/71/01/84/382710184.db2.gz AMJNGJNKPLOKFX-UHFFFAOYSA-N 0 1 276.355 2.550 20 30 CFEDMN COc1ccc(C=C(C)c2nc(C)c(C#N)c(=O)[nH]2)cc1 ZINC000193614962 382721443 /nfs/dbraw/zinc/72/14/43/382721443.db2.gz XRQVYPRUOAJOOQ-CSKARUKUSA-N 0 1 281.315 2.519 20 30 CFEDMN COc1cccc(C=C(C)c2nc(C)c(C#N)c(=O)[nH]2)c1 ZINC000193610663 382721478 /nfs/dbraw/zinc/72/14/78/382721478.db2.gz URFUWKHJOZYAOI-JXMROGBWSA-N 0 1 281.315 2.519 20 30 CFEDMN COc1ccc(C#N)cc1CN1CC[C@H](OC)C[C@H]1C ZINC000336827260 382724356 /nfs/dbraw/zinc/72/43/56/382724356.db2.gz UVAUYNLMVJJANK-DOMZBBRYSA-N 0 1 274.364 2.566 20 30 CFEDMN C=CCN(CCOC)[C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000191095841 382690945 /nfs/dbraw/zinc/69/09/45/382690945.db2.gz OPXNLWREQCGXDE-LBPRGKRZSA-N 0 1 264.325 2.790 20 30 CFEDMN CN(CCC#N)C(=O)c1cc(-c2ccc(Cl)cc2)[nH]n1 ZINC000337110432 382762220 /nfs/dbraw/zinc/76/22/20/382762220.db2.gz DDHUFQIIARQXCQ-UHFFFAOYSA-N 0 1 288.738 2.716 20 30 CFEDMN C=CCN1CC[C@@H](N2CCc3sccc3[C@H]2CC)C1=O ZINC000337138252 382766519 /nfs/dbraw/zinc/76/65/19/382766519.db2.gz OVGRCSFYEWYXLG-ZIAGYGMSSA-N 0 1 290.432 2.844 20 30 CFEDMN Cc1nnc([C@H](C)NCCCC2(C#N)CCOCC2)s1 ZINC000337183033 382772811 /nfs/dbraw/zinc/77/28/11/382772811.db2.gz BRBHJYVFEFELHV-NSHDSACASA-N 0 1 294.424 2.598 20 30 CFEDMN C=CCN1CC[C@H](N2CCC[C@@H]2/C=C/c2ccccc2)C1=O ZINC000337205782 382776630 /nfs/dbraw/zinc/77/66/30/382776630.db2.gz LFOVOYNIFGCCJR-KNJKRIMISA-N 0 1 296.414 2.951 20 30 CFEDMN C=CCN(CCOC)Cc1cnc2ccccc2c1 ZINC000337223681 382779982 /nfs/dbraw/zinc/77/99/82/382779982.db2.gz DHFXKEXYJSVCKP-UHFFFAOYSA-N 0 1 256.349 2.869 20 30 CFEDMN C=CCCC(=O)CSc1nc(-c2ccccc2O)n[nH]1 ZINC000194582802 382748983 /nfs/dbraw/zinc/74/89/83/382748983.db2.gz FYSVUYUFAKBQOA-UHFFFAOYSA-N 0 1 289.360 2.805 20 30 CFEDMN CCC[C@H](C)N1C[C@H](C#N)[C@@]2(C1)c1ccccc1NC2=O ZINC000337315992 382800039 /nfs/dbraw/zinc/80/00/39/382800039.db2.gz KKIBMRMWKJIAOS-DCGLDWPTSA-N 0 1 283.375 2.520 20 30 CFEDMN C=C(Cl)CN[C@H]1CCC[C@H]1NC(=O)OC(C)(C)C ZINC000494397925 382912766 /nfs/dbraw/zinc/91/27/66/382912766.db2.gz AWSDQLIRDZCIFL-WDEREUQCSA-N 0 1 274.792 2.774 20 30 CFEDMN C=CCOc1ccccc1CN[C@H](C)c1cn[nH]c1 ZINC000229635633 382853168 /nfs/dbraw/zinc/85/31/68/382853168.db2.gz OFLBCFVYRQHPPV-GFCCVEGCSA-N 0 1 257.337 2.825 20 30 CFEDMN COC(=O)c1cccc(CN(CC(C)C)C2CC2)c1C#N ZINC000533775359 382910630 /nfs/dbraw/zinc/91/06/30/382910630.db2.gz JVICALTYHAAMGM-UHFFFAOYSA-N 0 1 286.375 2.965 20 30 CFEDMN N#Cc1cccc(CNCc2cccc(N3CCC3=O)c2)c1 ZINC000441201690 382899527 /nfs/dbraw/zinc/89/95/27/382899527.db2.gz PHJLIFRKKPYMJX-UHFFFAOYSA-N 0 1 291.354 2.585 20 30 CFEDMN CCCN(Cc1ccc(C#N)cc1[N+](=O)[O-])C1CC1 ZINC000578632072 382938974 /nfs/dbraw/zinc/93/89/74/382938974.db2.gz JXSJMQRMFRYDNT-UHFFFAOYSA-N 0 1 259.309 2.841 20 30 CFEDMN CSc1ccc(NC(=O)c2ccc(C#N)c(O)c2)nc1 ZINC000442642810 382940150 /nfs/dbraw/zinc/94/01/50/382940150.db2.gz CONJTLJTXZZQMW-UHFFFAOYSA-N 0 1 285.328 2.633 20 30 CFEDMN C=CCCC[C@H](C)NC(=O)N1C[C@H](C)N(CC)C[C@H]1C ZINC000539392406 382961546 /nfs/dbraw/zinc/96/15/46/382961546.db2.gz WZGMDAJZYPAPTN-SOUVJXGZSA-N 0 1 281.444 2.855 20 30 CFEDMN C=CCCCCCNC(=O)[C@@H](N)c1ccccc1C ZINC000578337899 382913067 /nfs/dbraw/zinc/91/30/67/382913067.db2.gz VKUTTXNQXAKAPS-HNNXBMFYSA-N 0 1 260.381 2.857 20 30 CFEDMN N#C[C@@H]1CC[C@H](NCc2ccncc2OCC(F)(F)F)C1 ZINC000442866138 382962682 /nfs/dbraw/zinc/96/26/82/382962682.db2.gz KGELCXPBBZDIEP-PWSUYJOCSA-N 0 1 299.296 2.805 20 30 CFEDMN CC(C)Cn1cc(CN2CCC(CC#N)CC2)cn1 ZINC000543065734 382971513 /nfs/dbraw/zinc/97/15/13/382971513.db2.gz BKOJSEANDDQMNF-UHFFFAOYSA-N 0 1 260.385 2.665 20 30 CFEDMN CC[C@]1(O)CCN(CC#Cc2ccc(Cl)cc2)C1 ZINC000495218816 382972917 /nfs/dbraw/zinc/97/29/17/382972917.db2.gz GQLFHDCTZUJBCH-HNNXBMFYSA-N 0 1 263.768 2.538 20 30 CFEDMN CC(C)(C#N)CCCCN1CCO[C@H](COCC2CC2)C1 ZINC000444690349 382977600 /nfs/dbraw/zinc/97/76/00/382977600.db2.gz SDFAVIIRKIEQJF-INIZCTEOSA-N 0 1 294.439 2.834 20 30 CFEDMN C=CC[C@@H]1N(CC(=O)NCC(F)(F)F)CCCC1(C)C ZINC000444791965 382982553 /nfs/dbraw/zinc/98/25/53/382982553.db2.gz NYZVVIISCWRYLV-NSHDSACASA-N 0 1 292.345 2.732 20 30 CFEDMN C[C@H](C#N)CN(C(=O)c1cc(-c2ccccc2)[nH]n1)C1CC1 ZINC000338301703 382983535 /nfs/dbraw/zinc/98/35/35/382983535.db2.gz GSCYCJKCAUAQCR-GFCCVEGCSA-N 0 1 294.358 2.841 20 30 CFEDMN N#Cc1ccc([C@H](C(N)=O)N2CC[C@H](C3CCCC3)C2)cc1 ZINC000579223537 382994261 /nfs/dbraw/zinc/99/42/61/382994261.db2.gz ZOVPJCPGXLSAIA-DLBZAZTESA-N 0 1 297.402 2.597 20 30 CFEDMN C=C(C)CN(C)[C@H](C)C(=O)N[C@@H]1CCC[C@@H](C)[C@@H]1C ZINC000245525673 383004332 /nfs/dbraw/zinc/00/43/32/383004332.db2.gz ABOCKCCGCINFEL-LXTVHRRPSA-N 0 1 266.429 2.824 20 30 CFEDMN C=CCCCNC(=O)NCc1nc2ccc(C)cc2[nH]1 ZINC000447956400 383034332 /nfs/dbraw/zinc/03/43/32/383034332.db2.gz VCMSDRNKADGDBC-UHFFFAOYSA-N 0 1 272.352 2.637 20 30 CFEDMN C=CCCC[C@@H](C)NC(=O)N1CCN(C)C[C@@H]1C(C)C ZINC000245958377 383053196 /nfs/dbraw/zinc/05/31/96/383053196.db2.gz XSDUPKWFNGZLIH-HUUCEWRRSA-N 0 1 281.444 2.713 20 30 CFEDMN CN(CCC#N)[C@H]1CCCN(C(=O)OC(C)(C)C)CC1 ZINC000496006397 383053898 /nfs/dbraw/zinc/05/38/98/383053898.db2.gz UOZSYONEZZDONL-ZDUSSCGKSA-N 0 1 281.400 2.621 20 30 CFEDMN C=CCC[C@H](O)CN(Cc1ccco1)C[C@H]1CCCO1 ZINC000246058318 383060367 /nfs/dbraw/zinc/06/03/67/383060367.db2.gz VTZWQFRDIYIFCB-GOEBONIOSA-N 0 1 279.380 2.588 20 30 CFEDMN C=C(C)CN1C[C@@H]2CCN(C(=O)OC(C)(C)C)C[C@@H]21 ZINC000496139764 383068422 /nfs/dbraw/zinc/06/84/22/383068422.db2.gz IXGXUWGSKKYMGX-STQMWFEESA-N 0 1 266.385 2.504 20 30 CFEDMN C=CCOCCSc1nc(-c2ccccc2F)n[nH]1 ZINC000338505364 383019130 /nfs/dbraw/zinc/01/91/30/383019130.db2.gz AXTPLZGNVSKQSN-UHFFFAOYSA-N 0 1 279.340 2.906 20 30 CFEDMN N#CCC[C@H](C#N)CNC[C@H]1CC[C@@H](c2ccccc2)O1 ZINC000582392818 383086765 /nfs/dbraw/zinc/08/67/65/383086765.db2.gz XEZDKQUVFIYUCB-OIISXLGYSA-N 0 1 283.375 2.940 20 30 CFEDMN COc1c(O)cccc1CN1CCC(CC#N)CC1 ZINC000582320693 383086791 /nfs/dbraw/zinc/08/67/91/383086791.db2.gz MHXUZFKLWHWVMZ-UHFFFAOYSA-N 0 1 260.337 2.526 20 30 CFEDMN Cc1cnc([C@H](C)CNC[C@H](C#N)CCC#N)s1 ZINC000583290660 383089072 /nfs/dbraw/zinc/08/90/72/383089072.db2.gz GAZJISBVTIIGLY-PWSUYJOCSA-N 0 1 262.382 2.588 20 30 CFEDMN N#CCC[C@H](C#N)CNCCc1cc(C(F)(F)F)ccn1 ZINC000584459878 383105498 /nfs/dbraw/zinc/10/54/98/383105498.db2.gz LHENDPWOSHVVHF-LLVKDONJSA-N 0 1 296.296 2.676 20 30 CFEDMN CN(CC(=O)Nc1ccccc1SCC#N)C(C)(C)C ZINC000566184272 383184534 /nfs/dbraw/zinc/18/45/34/383184534.db2.gz JWYNWSJDCKGZBJ-UHFFFAOYSA-N 0 1 291.420 2.971 20 30 CFEDMN C=CCC[C@H](O)CN1C[C@H](C)OC[C@@H]1c1ccccc1 ZINC000247679174 383190261 /nfs/dbraw/zinc/19/02/61/383190261.db2.gz ZLRJRRJPEAJYKN-BHYGNILZSA-N 0 1 275.392 2.776 20 30 CFEDMN C=CCC[C@H](O)CN1C[C@@H](C)OC[C@@H]1c1ccccc1 ZINC000247679177 383190821 /nfs/dbraw/zinc/19/08/21/383190821.db2.gz ZLRJRRJPEAJYKN-HYVNUMGLSA-N 0 1 275.392 2.776 20 30 CFEDMN C=CCCO[C@@H](C)c1nc([C@H](N)CC(C)C)no1 ZINC000339366212 383191994 /nfs/dbraw/zinc/19/19/94/383191994.db2.gz LWMBBXHHCGYVJI-WDEREUQCSA-N 0 1 253.346 2.769 20 30 CFEDMN N#CCC1(CNCc2cccc(O)c2Cl)CC1 ZINC000339384241 383193521 /nfs/dbraw/zinc/19/35/21/383193521.db2.gz CVWJWPSRNLPLPP-UHFFFAOYSA-N 0 1 250.729 2.829 20 30 CFEDMN COc1cc(CNCc2cncn2C(C)C)ccc1C#N ZINC000424169048 383196426 /nfs/dbraw/zinc/19/64/26/383196426.db2.gz GSMHWSHDCOINIW-UHFFFAOYSA-N 0 1 284.363 2.634 20 30 CFEDMN CO[C@](C)(CNC[C@H](C#N)CCC#N)c1ccccc1 ZINC000514925624 383156954 /nfs/dbraw/zinc/15/69/54/383156954.db2.gz MDPPMWINJUCFEJ-GOEBONIOSA-N 0 1 271.364 2.581 20 30 CFEDMN C=CCCCCN1CCN(c2ncc(C)s2)CC1 ZINC000562532513 383160274 /nfs/dbraw/zinc/16/02/74/383160274.db2.gz QNVMUADSMXXGJB-UHFFFAOYSA-N 0 1 265.426 2.930 20 30 CFEDMN C=C(CC)CNC(=O)c1cccc(Br)c1O ZINC000562637014 383161339 /nfs/dbraw/zinc/16/13/39/383161339.db2.gz FKLDDQPONKETQM-UHFFFAOYSA-N 0 1 284.153 2.851 20 30 CFEDMN C=CCOCCC[N@H+]1[C@@H](C(=O)[O-])CC[C@H]1c1ccccc1 ZINC000516585478 383165637 /nfs/dbraw/zinc/16/56/37/383165637.db2.gz SMSBMFGOOBUCBS-JKSUJKDBSA-N 0 1 289.375 2.869 20 30 CFEDMN COC(=O)c1coc([C@H](C)NCc2ccc(CC#N)cc2)c1 ZINC000563126526 383165674 /nfs/dbraw/zinc/16/56/74/383165674.db2.gz SPMIRVWIMYQXRY-LBPRGKRZSA-N 0 1 298.342 2.983 20 30 CFEDMN C=CCC[C@H](O)CN1CCO[C@@H](CCc2ccccc2)C1 ZINC000248633779 383276016 /nfs/dbraw/zinc/27/60/16/383276016.db2.gz XEPCTXWOKJCFKD-ROUUACIJSA-N 0 1 289.419 2.647 20 30 CFEDMN C=C(C)CN(CC)CC(=O)N[C@@H]1CCCC[C@H]1C ZINC000248249930 383221356 /nfs/dbraw/zinc/22/13/56/383221356.db2.gz RYVDQWXIASLEOW-ZIAGYGMSSA-N 0 1 252.402 2.579 20 30 CFEDMN CCCC(=O)N[C@H]1CCCN([C@H](C)c2cccc(C#N)c2)C1 ZINC000249273148 383335785 /nfs/dbraw/zinc/33/57/85/383335785.db2.gz LAADRYCNVOIBBX-PBHICJAKSA-N 0 1 299.418 3.000 20 30 CFEDMN Cc1cc(NC[C@H](c2ccco2)N2CCCC2)c(C#N)cn1 ZINC000425201714 383339451 /nfs/dbraw/zinc/33/94/51/383339451.db2.gz OCACKHFTNXFSHU-MRXNPFEDSA-N 0 1 296.374 2.526 20 30 CFEDMN C[C@@H](NC(=O)c1ccc2cncn2c1)c1ccc(C#N)cc1 ZINC000339851579 383339693 /nfs/dbraw/zinc/33/96/93/383339693.db2.gz USVAGNBLFSPCBM-GFCCVEGCSA-N 0 1 290.326 2.697 20 30 CFEDMN C=CCN(CC(F)(F)F)C(=O)c1ccc2cncn2c1 ZINC000339893578 383341959 /nfs/dbraw/zinc/34/19/59/383341959.db2.gz VMFKSUWXVABCDX-UHFFFAOYSA-N 0 1 283.253 2.525 20 30 CFEDMN CC(C)[C@@]1(CO)CCCN(Cc2cccc(C#N)c2F)C1 ZINC000339706861 383292504 /nfs/dbraw/zinc/29/25/04/383292504.db2.gz RVNUQWOKOQZOIE-KRWDZBQOSA-N 0 1 290.382 2.928 20 30 CFEDMN C=CCN(Cc1cccs1)C[C@@H](O)C[C@](C)(O)C1CC1 ZINC000634641149 383294324 /nfs/dbraw/zinc/29/43/24/383294324.db2.gz NTVBIMGUSGYJEL-HOCLYGCPSA-N 0 1 295.448 2.648 20 30 CFEDMN CCCCCNC(=O)C1CCN(CC2(C#N)CCC2)CC1 ZINC000450252254 383388367 /nfs/dbraw/zinc/38/83/67/383388367.db2.gz HGDVGYJSPMASIV-UHFFFAOYSA-N 0 1 291.439 2.699 20 30 CFEDMN CCC[C@H](C)NC(=O)[C@@H]1CCCN(CC2(C#N)CCC2)C1 ZINC000450325275 383390863 /nfs/dbraw/zinc/39/08/63/383390863.db2.gz TVDANADCGRDLFK-LSDHHAIUSA-N 0 1 291.439 2.697 20 30 CFEDMN CCC[C@@H](C)NC(=O)[C@@H]1CCCN(CC2(C#N)CCC2)C1 ZINC000450325274 383391214 /nfs/dbraw/zinc/39/12/14/383391214.db2.gz TVDANADCGRDLFK-HUUCEWRRSA-N 0 1 291.439 2.697 20 30 CFEDMN C=CC[N@H+](CCc1ccccc1)[C@H](CCC)C(=O)[O-] ZINC000568062445 383352205 /nfs/dbraw/zinc/35/22/05/383352205.db2.gz CCEWZEVDTYADNO-OAHLLOKOSA-N 0 1 261.365 2.970 20 30 CFEDMN COC(=O)[C@@H]1CCN(CC#Cc2cccc(Cl)c2)[C@@H]1C ZINC000469996068 383374162 /nfs/dbraw/zinc/37/41/62/383374162.db2.gz INNHUZXFRJBTOV-IUODEOHRSA-N 0 1 291.778 2.575 20 30 CFEDMN C=CC(C)(C)C(=O)Nc1nc2cccc(C(=O)OC)c2[nH]1 ZINC000450187428 383385219 /nfs/dbraw/zinc/38/52/19/383385219.db2.gz KQBRJIIAVALYNK-UHFFFAOYSA-N 0 1 287.319 2.500 20 30 CFEDMN C=C(C)CN(C)CC(=O)N[C@@H](C)Cc1ccccc1C ZINC000481315478 383425863 /nfs/dbraw/zinc/42/58/63/383425863.db2.gz JKBKSEGNGFNIGP-HNNXBMFYSA-N 0 1 274.408 2.550 20 30 CFEDMN CCO[C@H]1C[C@H](N(C)CC2(C#N)CCC2)C12CCC2 ZINC000450493670 383437024 /nfs/dbraw/zinc/43/70/24/383437024.db2.gz FNLKKLAMJMRTIS-KBPBESRZSA-N 0 1 262.397 2.960 20 30 CFEDMN Cc1n[nH]c([C@@H]2CCCN(Cc3cccc(F)c3C#N)C2)n1 ZINC000428347615 383455803 /nfs/dbraw/zinc/45/58/03/383455803.db2.gz NNSYFDJKUNGTHR-CYBMUJFWSA-N 0 1 299.353 2.504 20 30 CFEDMN Cc1nnc([C@@H]2CCCN(Cc3cccc(F)c3C#N)C2)[nH]1 ZINC000428347615 383455807 /nfs/dbraw/zinc/45/58/07/383455807.db2.gz NNSYFDJKUNGTHR-CYBMUJFWSA-N 0 1 299.353 2.504 20 30 CFEDMN CCCCN(CCCO)Cc1cccc(F)c1C#N ZINC000428348871 383456069 /nfs/dbraw/zinc/45/60/69/383456069.db2.gz NKKHEYQOPWDTJY-UHFFFAOYSA-N 0 1 264.344 2.682 20 30 CFEDMN CCCN(C[C@H]1CCCCO1)CC1(C#N)CCC1 ZINC000450552784 383458482 /nfs/dbraw/zinc/45/84/82/383458482.db2.gz INJYUCCAVPGWNH-CQSZACIVSA-N 0 1 250.386 2.961 20 30 CFEDMN Cc1cc([C@@H](C)NCCc2cccc(C#N)c2)no1 ZINC000340534827 383463541 /nfs/dbraw/zinc/46/35/41/383463541.db2.gz RXLUJROPUSRPPN-GFCCVEGCSA-N 0 1 255.321 2.748 20 30 CFEDMN CC[C@@H](CO)N(Cc1ccccc1)CC1(C#N)CCC1 ZINC000450717975 383483159 /nfs/dbraw/zinc/48/31/59/383483159.db2.gz RNPCQEXCYKTUGE-INIZCTEOSA-N 0 1 272.392 2.953 20 30 CFEDMN Cc1n[nH]c(C(=O)N[C@@](C)(C#N)C2CCCCC2)c1C ZINC000569162706 383473787 /nfs/dbraw/zinc/47/37/87/383473787.db2.gz XJBRARGAPBDUFN-HNNXBMFYSA-N 0 1 274.368 2.619 20 30 CFEDMN C=C(C)[C@@H](NC[C@H]1COCCO1)c1ccc(F)c(F)c1 ZINC000450776985 383488023 /nfs/dbraw/zinc/48/80/23/383488023.db2.gz LXZNKUPLQAJHJO-SWLSCSKDSA-N 0 1 283.318 2.587 20 30 CFEDMN C=CCN(Cc1ccc(Cl)s1)C(=O)[C@@H](C)N(C)C ZINC000635119676 383489441 /nfs/dbraw/zinc/48/94/41/383489441.db2.gz PUBLICVONDFXLN-SNVBAGLBSA-N 0 1 286.828 2.866 20 30 CFEDMN CC(=Cc1ccc(C)s1)c1nc(C)c(C#N)c(=O)[nH]1 ZINC000335816480 322449702 /nfs/dbraw/zinc/44/97/02/322449702.db2.gz VRWBYCAYZPOFDJ-VURMDHGXSA-N 0 1 271.345 2.880 20 30 CFEDMN Cc1oc(NC(=O)CN(C)[C@@H]2CC[C@@H](C)C2)c(C#N)c1C ZINC000429557564 383543253 /nfs/dbraw/zinc/54/32/53/383543253.db2.gz COHNYHURAUZWQK-ZWNOBZJWSA-N 0 1 289.379 2.827 20 30 CFEDMN N#Cc1c(C(F)F)cccc1N1CC[C@@H](c2nc[nH]n2)C1 ZINC000570175843 383578976 /nfs/dbraw/zinc/57/89/76/383578976.db2.gz MMRMODWRFGOILN-SECBINFHSA-N 0 1 289.289 2.608 20 30 CFEDMN CC1=C[C@@H](C)CN(CC(=O)N(C)C2(C#N)CCCCC2)C1 ZINC000430270241 383592102 /nfs/dbraw/zinc/59/21/02/383592102.db2.gz UOUJTSAZTVVPAW-CQSZACIVSA-N 0 1 289.423 2.569 20 30 CFEDMN CCc1occc1C(=O)C(C#N)c1nnc2n1CCCCC2 ZINC000430522885 383594353 /nfs/dbraw/zinc/59/43/53/383594353.db2.gz FLUDCKGVIKQIRK-LBPRGKRZSA-N 0 1 298.346 2.650 20 30 CFEDMN CC(=O)Nc1ccc(C(=O)C(C#N)c2ccccn2)cc1F ZINC000570474694 383607019 /nfs/dbraw/zinc/60/70/19/383607019.db2.gz QWACDRKAFAGUFH-LBPRGKRZSA-N 0 1 297.289 2.669 20 30 CFEDMN C[C@H](c1cccc(C#N)c1)N1CC[C@H]2CC[C@@H](C1)[S@]2=O ZINC000528787055 383638211 /nfs/dbraw/zinc/63/82/11/383638211.db2.gz YYVPUKACLKABBR-DTGLCGDCSA-N 0 1 288.416 2.605 20 30 CFEDMN CCO[C@@H]1CCN(Cc2cccc(C#N)c2F)C[C@H]1C ZINC000451547101 383641203 /nfs/dbraw/zinc/64/12/03/383641203.db2.gz TWCUACUOAJXDFW-IUODEOHRSA-N 0 1 276.355 2.944 20 30 CFEDMN CCO[C@H]1CCN(Cc2ccc(F)c(C#N)c2)C[C@H]1C ZINC000451547783 383642618 /nfs/dbraw/zinc/64/26/18/383642618.db2.gz UNNCBWBOAUCKKV-WBMJQRKESA-N 0 1 276.355 2.944 20 30 CFEDMN CO[C@@H]1[C@H](C)[C@H](NCc2cccc(F)c2C#N)C1(C)C ZINC000451499038 383628630 /nfs/dbraw/zinc/62/86/30/383628630.db2.gz LADHJQXPGNLFJB-WKPIXPDZSA-N 0 1 276.355 2.846 20 30 CFEDMN C=CCC[C@@H](NC(=O)[C@@H](C)N(C)C)c1ccccc1 ZINC000635716912 383631897 /nfs/dbraw/zinc/63/18/97/383631897.db2.gz IDPNEXHBOMVUQM-UKRRQHHQSA-N 0 1 260.381 2.760 20 30 CFEDMN CC(C)(C)c1nc(CN2CCCC(C)(C)[C@@H]2C#N)n[nH]1 ZINC000433187259 383756321 /nfs/dbraw/zinc/75/63/21/383756321.db2.gz NLEWMVLWIYLDBE-NSHDSACASA-N 0 1 275.400 2.616 20 30 CFEDMN CCN(CCCN(C)CC(C)(C)C#N)CC(F)(F)F ZINC000433315389 383760401 /nfs/dbraw/zinc/76/04/01/383760401.db2.gz YFOBGWDRRVUCEP-UHFFFAOYSA-N 0 1 279.350 2.742 20 30 CFEDMN CC[C@H](CC#N)NC(=O)C(C#N)CCc1ccccc1 ZINC000433379291 383761607 /nfs/dbraw/zinc/76/16/07/383761607.db2.gz UBRKXXISNCKCHI-LSDHHAIUSA-N 0 1 269.348 2.567 20 30 CFEDMN CCN(C(=O)c1cnc[nH]1)[C@@H](C)c1ccc(C#N)cc1 ZINC000264618280 383763943 /nfs/dbraw/zinc/76/39/43/383763943.db2.gz KELILCCEDXNHBS-NSHDSACASA-N 0 1 268.320 2.505 20 30 CFEDMN CCc1cncc(C(=O)C(C#N)c2ccccn2)c1 ZINC000434630474 383770110 /nfs/dbraw/zinc/77/01/10/383770110.db2.gz TVMJZCYVAFJCHK-ZDUSSCGKSA-N 0 1 251.289 2.529 20 30 CFEDMN COc1ccc([C@H](NCc2ccc(C#N)cn2)C2CC2)cn1 ZINC000528854975 383662446 /nfs/dbraw/zinc/66/24/46/383662446.db2.gz XEOPZMDESRQHMX-QGZVFWFLSA-N 0 1 294.358 2.598 20 30 CFEDMN C=CCN(C(=O)[C@@H]1C[C@H]1c1cnc[nH]1)c1ccccc1 ZINC000635943013 383665894 /nfs/dbraw/zinc/66/58/94/383665894.db2.gz JUKBRJPKBZPDHX-ZIAGYGMSSA-N 0 1 267.332 2.732 20 30 CFEDMN N#Cc1csc(C[N@H+]2[C@H](C(=O)[O-])C[C@@H]3CCCC[C@@H]32)c1 ZINC000263505922 383672567 /nfs/dbraw/zinc/67/25/67/383672567.db2.gz MBVANQYGPXKZRW-UBHSHLNASA-N 0 1 290.388 2.837 20 30 CFEDMN Cc1ccc(C#N)cc1NC(=O)N1CCN(C2CCC2)CC1 ZINC000264971529 383809534 /nfs/dbraw/zinc/80/95/34/383809534.db2.gz GYFOUQZRVFRMPX-UHFFFAOYSA-N 0 1 298.390 2.569 20 30 CFEDMN C=CCN1CC[C@H](NC2(c3cccc(F)c3)CCC2)C1=O ZINC000646002001 383816640 /nfs/dbraw/zinc/81/66/40/383816640.db2.gz FWIFASNKAYCTRJ-HNNXBMFYSA-N 0 1 288.366 2.581 20 30 CFEDMN C=C(C)C[C@H](C)C(=O)N1C[C@@H](C)N(CC)[C@@H](C)C1 ZINC000640607541 383841516 /nfs/dbraw/zinc/84/15/16/383841516.db2.gz OXTVCECRJGRBEP-MELADBBJSA-N 0 1 252.402 2.530 20 30 CFEDMN C=C(C)[C@@H](CC(=O)N1CCN(C)[C@H](C(C)(C)C)C1)OCC ZINC000640615029 383847896 /nfs/dbraw/zinc/84/78/96/383847896.db2.gz JIWAYHXYOJZRPQ-CABCVRRESA-N 0 1 296.455 2.546 20 30 CFEDMN N#Cc1ccc(-c2nc(C3(N)CCCC3)no2)cc1Cl ZINC000573000217 383858181 /nfs/dbraw/zinc/85/81/81/383858181.db2.gz VGSZNUBAVFHKEN-UHFFFAOYSA-N 0 1 288.738 2.990 20 30 CFEDMN CSc1ccc([C@@H](CNCCC#N)N(C)C)cc1 ZINC000573083924 383868204 /nfs/dbraw/zinc/86/82/04/383868204.db2.gz NRAMMNUOMYTEFP-CQSZACIVSA-N 0 1 263.410 2.514 20 30 CFEDMN C=CCC[N@H+](C)Cc1cc(OC)c(OC)cc1OC ZINC000265845626 384015858 /nfs/dbraw/zinc/01/58/58/384015858.db2.gz XSIOZYOEDIARCK-UHFFFAOYSA-N 0 1 265.353 2.720 20 30 CFEDMN CC(C)OCCCN(C)Cc1ccc(C#N)cc1F ZINC000265851756 384016101 /nfs/dbraw/zinc/01/61/01/384016101.db2.gz IEBUXGMWNXHNNR-UHFFFAOYSA-N 0 1 264.344 2.944 20 30 CFEDMN N#Cc1ccc(CN2CC[C@@H](COc3ccccc3)C2)nc1 ZINC000573979733 384023574 /nfs/dbraw/zinc/02/35/74/384023574.db2.gz SLNCZWSGCJGDRR-MRXNPFEDSA-N 0 1 293.370 2.854 20 30 CFEDMN CC[C@@H](C)N(C)Cc1nnc(-c2cccc(C#N)c2)o1 ZINC000439960580 384052099 /nfs/dbraw/zinc/05/20/99/384052099.db2.gz GGNLXZZXOPXETE-LLVKDONJSA-N 0 1 270.336 2.839 20 30 CFEDMN OCCN(CC#Cc1ccccc1Cl)C1CCC1 ZINC000439295332 384033959 /nfs/dbraw/zinc/03/39/59/384033959.db2.gz MYDZVKXAZKVWED-UHFFFAOYSA-N 0 1 263.768 2.538 20 30 CFEDMN C[C@H]1C[C@H](C)N(CC(=O)Nc2ccc(C#N)c(Cl)c2)C1 ZINC000532970333 384088092 /nfs/dbraw/zinc/08/80/92/384088092.db2.gz HMRKOOLNTCVZLN-QWRGUYRKSA-N 0 1 291.782 2.880 20 30 CFEDMN N#Cc1cccc(OCCN2CCc3ccc(O)cc3C2)c1 ZINC000532731022 384064672 /nfs/dbraw/zinc/06/46/72/384064672.db2.gz XKGBPVHNUSRVRP-UHFFFAOYSA-N 0 1 294.354 2.701 20 30 CFEDMN N#Cc1ccc(CN2CCC(c3ccncc3)CC2)nc1 ZINC000574486333 384104232 /nfs/dbraw/zinc/10/42/32/384104232.db2.gz ZUTTWXAGDRRMDY-UHFFFAOYSA-N 0 1 278.359 2.728 20 30 CFEDMN C=CCN(CCc1ccccc1)C(=O)c1oc(CN)cc1C ZINC000637953609 384304687 /nfs/dbraw/zinc/30/46/87/384304687.db2.gz OQFQCQSHHYXYFZ-UHFFFAOYSA-N 0 1 298.386 2.918 20 30 CFEDMN C=CCN(Cc1ccccc1F)C[C@]1(OC)CCOC1 ZINC000637966743 384315216 /nfs/dbraw/zinc/31/52/16/384315216.db2.gz VXMKQOCVQYVOAW-MRXNPFEDSA-N 0 1 279.355 2.619 20 30 CFEDMN C=C[C@H](CO)NCc1cc(C)c(C)cc1OC(F)F ZINC000641775290 384341800 /nfs/dbraw/zinc/34/18/00/384341800.db2.gz VIODEPPJCLLPQB-GFCCVEGCSA-N 0 1 271.307 2.541 20 30 CFEDMN C#CCN1CCC(c2nc(-c3cc(C)cc(F)c3)no2)CC1 ZINC000277843175 384421707 /nfs/dbraw/zinc/42/17/07/384421707.db2.gz IWRSPYLMEZSVKQ-UHFFFAOYSA-N 0 1 299.349 2.997 20 30 CFEDMN CC[C@@H](C)c1nc([C@H](C)NC(=O)c2cccc(C#N)c2)n[nH]1 ZINC000277723008 384387028 /nfs/dbraw/zinc/38/70/28/384387028.db2.gz FXTFZVIACBKHPO-MNOVXSKESA-N 0 1 297.362 2.681 20 30 CFEDMN C[C@H](O)C1CCN(CC#Cc2ccc(Cl)cc2)CC1 ZINC000267424656 384387541 /nfs/dbraw/zinc/38/75/41/384387541.db2.gz XGGZSOYDEROZPS-ZDUSSCGKSA-N 0 1 277.795 2.784 20 30 CFEDMN C=CC[C@@H]1N(Cc2nnc(C)n2C)CCCC1(C)C ZINC000277734966 384390290 /nfs/dbraw/zinc/39/02/90/384390290.db2.gz KJNOFLMSAKAFJP-ZDUSSCGKSA-N 0 1 262.401 2.690 20 30 CFEDMN C=C1CCN(C(=O)[C@@H](N)c2ccc(C(F)(F)F)cc2)CC1 ZINC000638380931 384608696 /nfs/dbraw/zinc/60/86/96/384608696.db2.gz IBTJGMVHRUQSKG-ZDUSSCGKSA-N 0 1 298.308 2.884 20 30 CFEDMN C=CCCCCCNC(=O)c1oc(CN)cc1C ZINC000638395146 384619181 /nfs/dbraw/zinc/61/91/81/384619181.db2.gz RUVRYVIYNFGTIG-UHFFFAOYSA-N 0 1 250.342 2.523 20 30 CFEDMN CO[C@@]1(C)CCCN(Cc2cn3ccccc3c2C#N)C1 ZINC000279433996 384636212 /nfs/dbraw/zinc/63/62/12/384636212.db2.gz XYZWJNOQLREJPH-KRWDZBQOSA-N 0 1 283.375 2.812 20 30 CFEDMN N#CCCCCN1CCOC[C@H]1C[C@H](O)c1ccccc1 ZINC000268701520 384650755 /nfs/dbraw/zinc/65/07/55/384650755.db2.gz RJFJXXJEVRDILI-SJORKVTESA-N 0 1 288.391 2.505 20 30 CFEDMN C=CC[C@@H](C)NCc1snc(OC)c1Br ZINC000638609007 384781211 /nfs/dbraw/zinc/78/12/11/384781211.db2.gz IWXFYTUIMIUZDS-SSDOTTSWSA-N 0 1 291.214 2.968 20 30 CFEDMN C=CCCC(C)(C)CNC(=O)[C@H](N)c1cccc(OC)c1 ZINC000638865888 384998094 /nfs/dbraw/zinc/99/80/94/384998094.db2.gz NCWHINNYRCVXBP-OAHLLOKOSA-N 0 1 290.407 2.804 20 30 CFEDMN CO[C@@]1(C)CCCN(Cc2ccc(C#N)s2)C1 ZINC000280576356 385067016 /nfs/dbraw/zinc/06/70/16/385067016.db2.gz MBLKXTAJWOGLAJ-ZDUSSCGKSA-N 0 1 250.367 2.621 20 30 CFEDMN C[C@H](C(=O)N(C)CCC#N)N1Cc2ccccc2C(C)(C)C1 ZINC000270381792 385080216 /nfs/dbraw/zinc/08/02/16/385080216.db2.gz PWRGMRGGCVVULC-CQSZACIVSA-N 0 1 299.418 2.540 20 30 CFEDMN C=C[C@@H](CC(=O)N1CCN(CCC)CC1)c1ccccc1 ZINC000270276640 385039026 /nfs/dbraw/zinc/03/90/26/385039026.db2.gz HWEFOQMSNWELDF-INIZCTEOSA-N 0 1 286.419 2.901 20 30 CFEDMN CCC1(CO)CCN(Cc2ccc(F)c(C#N)c2)CC1 ZINC000270958489 385283543 /nfs/dbraw/zinc/28/35/43/385283543.db2.gz YYBSFFFFRDMJJL-UHFFFAOYSA-N 0 1 276.355 2.682 20 30 CFEDMN Cc1ccc(C#N)c(N[C@@H]2CC[N@@H+](Cc3ccccc3)C2)n1 ZINC000271002951 385298746 /nfs/dbraw/zinc/29/87/46/385298746.db2.gz WHZNSKMSNGPPEX-QGZVFWFLSA-N 0 1 292.386 2.948 20 30 CFEDMN CC(C)CNC(=O)C(C#N)c1nc2ccccc2s1 ZINC000271071802 385327619 /nfs/dbraw/zinc/32/76/19/385327619.db2.gz FJBGIJMYJIKJHX-SNVBAGLBSA-N 0 1 273.361 2.676 20 30 CFEDMN C=CCCCCNC(=O)N1CCC[C@H](c2cc(C)[nH]n2)C1 ZINC000282862716 385401649 /nfs/dbraw/zinc/40/16/49/385401649.db2.gz VORAESHBPBMZTI-AWEZNQCLSA-N 0 1 290.411 2.963 20 30 CFEDMN C=CC[C@H](C)NC(=O)N1CCC[C@@H](c2cc(C)[nH]n2)C1 ZINC000282899935 385408327 /nfs/dbraw/zinc/40/83/27/385408327.db2.gz XYCRRBIPOLLNRK-WCQYABFASA-N 0 1 276.384 2.572 20 30 CFEDMN CC#CCCCC(=O)N1CCC[C@@H](c2cc(C)[nH]n2)C1 ZINC000282980330 385419995 /nfs/dbraw/zinc/41/99/95/385419995.db2.gz VYYLIBLSJZUWJR-CQSZACIVSA-N 0 1 273.380 2.618 20 30 CFEDMN C[C@H](NC1(c2cccc(C#N)c2)CC1)c1cnn(C)c1 ZINC000272158798 385462704 /nfs/dbraw/zinc/46/27/04/385462704.db2.gz BJUGRCPRRDFJPT-LBPRGKRZSA-N 0 1 266.348 2.632 20 30 CFEDMN C=CCNC(=O)CN[C@@H](C)c1ccc(OCCCC)cc1 ZINC000284158298 385542806 /nfs/dbraw/zinc/54/28/06/385542806.db2.gz DVXOKJZTZGAMRG-AWEZNQCLSA-N 0 1 290.407 2.818 20 30 CFEDMN CN(Cc1ccc(C#N)cc1F)C[C@@H]1CCCC[C@@H]1O ZINC000272591148 385571047 /nfs/dbraw/zinc/57/10/47/385571047.db2.gz TVFGQTCTZOMQFK-HOCLYGCPSA-N 0 1 276.355 2.680 20 30 CFEDMN CN(Cc1ccccc1C#N)C[C@@H]1CCCC[C@@H]1O ZINC000272594047 385572271 /nfs/dbraw/zinc/57/22/71/385572271.db2.gz UBRWQVKIYSDXGQ-HOTGVXAUSA-N 0 1 258.365 2.541 20 30 CFEDMN CCC[C@]1(CO)CCN(Cc2ccc(C#N)cc2F)C1 ZINC000288767609 197161130 /nfs/dbraw/zinc/16/11/30/197161130.db2.gz JIPQLLIUBRSQMW-INIZCTEOSA-N 0 1 276.355 2.682 20 30 CFEDMN C=CCN1CCc2c(ncn2-c2ccc(F)cc2)C1 ZINC000272788732 385616033 /nfs/dbraw/zinc/61/60/33/385616033.db2.gz SHQTYDDQOCNCDG-UHFFFAOYSA-N 0 1 257.312 2.556 20 30 CFEDMN CCN(Cc1ccc(C#N)cc1F)C[C@@H](C)OC ZINC000272809036 385621158 /nfs/dbraw/zinc/62/11/58/385621158.db2.gz MUYCKUHNWYRGLE-LLVKDONJSA-N 0 1 250.317 2.554 20 30 CFEDMN C=CCS(=O)(=O)CCNCc1ccc(C(C)(C)C)cc1 ZINC000272830467 385626110 /nfs/dbraw/zinc/62/61/10/385626110.db2.gz KZIRJXTYWAINEX-UHFFFAOYSA-N 0 1 295.448 2.675 20 30 CFEDMN C#CCC(C)(C)C(=O)N(C)CCCN(C)Cc1ccco1 ZINC000286797616 385711850 /nfs/dbraw/zinc/71/18/50/385711850.db2.gz UQXLSUUPEOEQAS-UHFFFAOYSA-N 0 1 290.407 2.609 20 30 CFEDMN C#CCC(C)(C)C(=O)Nc1cc(C(C)=O)ccc1O ZINC000274496384 385812075 /nfs/dbraw/zinc/81/20/75/385812075.db2.gz LAWZRCYJKAXIGB-UHFFFAOYSA-N 0 1 259.305 2.583 20 30 CFEDMN C=CCCN(C)C(=O)N[C@H]1CC[N@@H+](C)[C@@H]1c1ccccc1 ZINC000276089981 385983542 /nfs/dbraw/zinc/98/35/42/385983542.db2.gz MJDYKRPKEDKAGJ-JKSUJKDBSA-N 0 1 287.407 2.649 20 30 CFEDMN COc1cccc(C2(NCc3cc(C#N)n(C)c3)CC2)c1 ZINC000276660754 386006340 /nfs/dbraw/zinc/00/63/40/386006340.db2.gz WEWGCBSEFOEGRZ-UHFFFAOYSA-N 0 1 281.359 2.684 20 30 CFEDMN N#Cc1ccc(NCc2n[nH]c(C3CC3)n2)cc1Cl ZINC000276841222 386056957 /nfs/dbraw/zinc/05/69/57/386056957.db2.gz OZLHFDKZYJZFRJ-UHFFFAOYSA-N 0 1 273.727 2.819 20 30 CFEDMN C=C(C)[C@@H](NC(=O)[C@H](C)N(C)C)c1ccc(F)c(F)c1 ZINC000681358711 542443469 /nfs/dbraw/zinc/44/34/69/542443469.db2.gz OPFLIBPKSVLJSC-IINYFYTJSA-N 0 1 282.334 2.648 20 30 CFEDMN N#C[C@@H]1CC[C@H](NCc2nccn2CCc2ccccc2)C1 ZINC000574870242 335053620 /nfs/dbraw/zinc/05/36/20/335053620.db2.gz MFUZAWMEYWLCEX-SJORKVTESA-N 0 1 294.402 2.908 20 30 CFEDMN C=CC[C@H](C(=O)N1CCN(CC)[C@@H](C)C1)c1ccccc1 ZINC000681738129 542483245 /nfs/dbraw/zinc/48/32/45/542483245.db2.gz GEYVQNLPTDGOIP-RDJZCZTQSA-N 0 1 286.419 2.899 20 30 CFEDMN C=C[C@](C)(CC)C(=O)Nc1cnn(-c2ccncc2)c1 ZINC000682361882 542540844 /nfs/dbraw/zinc/54/08/44/542540844.db2.gz QVHISOCVFMDNOH-OAHLLOKOSA-N 0 1 270.336 2.808 20 30 CFEDMN C=CCN1CC[C@H](N2CCC[C@H]2c2cccc(F)c2)C1=O ZINC000282046677 195486625 /nfs/dbraw/zinc/48/66/25/195486625.db2.gz RIUGZTWHGCEXNT-HOTGVXAUSA-N 0 1 288.366 2.750 20 30 CFEDMN C[C@H](CC#N)N(C)C(=O)c1ccc(Nc2ccncc2)cc1 ZINC000353774286 533599855 /nfs/dbraw/zinc/59/98/55/533599855.db2.gz BLPVCZFMICODLP-CYBMUJFWSA-N 0 1 294.358 2.621 20 30 CFEDMN C#CCCCC(=O)NC[C@@H](c1ccco1)N(CC)CC ZINC000191983508 130343347 /nfs/dbraw/zinc/34/33/47/130343347.db2.gz LLCYFPWJUBTEFL-AWEZNQCLSA-N 0 1 276.380 2.582 20 30 CFEDMN CCCC(=O)NC[C@H]1CCCN(CC#Cc2ccccc2)C1 ZINC000191982769 130343890 /nfs/dbraw/zinc/34/38/90/130343890.db2.gz AZSWLAXQAYVEGD-GOSISDBHSA-N 0 1 298.430 2.666 20 30 CFEDMN C[C@H](C(=O)Nc1ccc(F)c(C#N)c1)[N@@H+]1[C@H](C)CC[C@@H]1C ZINC000246653668 131095533 /nfs/dbraw/zinc/09/55/33/131095533.db2.gz CATFLUBKBVVBFB-GRYCIOLGSA-N 0 1 289.354 2.897 20 30 CFEDMN C=CC[C@@H](C)NC(=O)[C@@H](c1ccccc1)N(C)CC ZINC000246875191 131097839 /nfs/dbraw/zinc/09/78/39/131097839.db2.gz FQPWGSSALDZANC-UKRRQHHQSA-N 0 1 260.381 2.760 20 30 CFEDMN C[C@H](c1ccccc1)N1CCN(c2ncccc2C#N)CC1 ZINC000252020195 131132351 /nfs/dbraw/zinc/13/23/51/131132351.db2.gz XXWYPVJIVCDQGX-OAHLLOKOSA-N 0 1 292.386 2.836 20 30 CFEDMN C[C@@H](COCC(F)(F)F)NCc1ccc(C#N)cc1F ZINC000269433086 132169451 /nfs/dbraw/zinc/16/94/51/132169451.db2.gz QCBVLOFNIJVCQM-VIFPVBQESA-N 0 1 290.260 2.754 20 30 CFEDMN CCC[N@@H+](CC#Cc1ccc(F)cc1)CC(C)(C)O ZINC000269454098 132173858 /nfs/dbraw/zinc/17/38/58/132173858.db2.gz DNYSNLGYWJYJEL-UHFFFAOYSA-N 0 1 263.356 2.660 20 30 CFEDMN CC(C)(C)c1[nH]n(CCCCCCO)c(=O)c1CCC#N ZINC000179257953 393459864 /nfs/dbraw/zinc/45/98/64/393459864.db2.gz YDOVFQLPDNWAGM-UHFFFAOYSA-N 0 1 293.411 2.895 20 30 CFEDMN C=CCN1CCC(Nc2nc(C(C)C)ns2)CC1 ZINC000301527200 393474821 /nfs/dbraw/zinc/47/48/21/393474821.db2.gz QDRLYTPQDBIRDV-UHFFFAOYSA-N 0 1 266.414 2.724 20 30 CFEDMN O=C(Nc1ccc2nc[nH]c2c1)[C@@H]1[C@@H]2CCCO[C@H]12 ZINC000329511901 393540119 /nfs/dbraw/zinc/54/01/19/393540119.db2.gz NHXHLZMEQOWEMY-BIMULSAOSA-N 0 1 257.293 2.576 20 30 CFEDMN Cc1cc(C#N)ccc1CN1CCc2ccccc2[C@H]1CO ZINC000186305342 393543338 /nfs/dbraw/zinc/54/33/38/393543338.db2.gz MSOPZJZOEMMZOG-LJQANCHMSA-N 0 1 292.382 2.958 20 30 CFEDMN Fc1ccc(C#CCN2CCCC[C@H]2c2nnc[nH]2)cc1 ZINC000182734548 393512646 /nfs/dbraw/zinc/51/26/46/393512646.db2.gz UKKDFVAGVYYVCM-HNNXBMFYSA-N 0 1 284.338 2.523 20 30 CFEDMN CC#CCNC(=O)c1cn[nH]c1-c1ccc(Cl)s1 ZINC000187421679 393553656 /nfs/dbraw/zinc/55/36/56/393553656.db2.gz IKLAERFMVJULOB-UHFFFAOYSA-N 0 1 279.752 2.545 20 30 CFEDMN Cc1cccc(NC(=O)c2ccc(C#N)c(O)c2)c1O ZINC000188613172 393565793 /nfs/dbraw/zinc/56/57/93/393565793.db2.gz BGDXVIXOGFCCDR-UHFFFAOYSA-N 0 1 268.272 2.530 20 30 CFEDMN Cc1ccc(NC(=O)c2ccc(C#N)c(O)c2)cc1[N+](=O)[O-] ZINC000188208580 393562392 /nfs/dbraw/zinc/56/23/92/393562392.db2.gz WCIAVWPCMDTXHT-UHFFFAOYSA-N 0 1 297.270 2.733 20 30 CFEDMN COc1ccccc1NC(=O)c1ccc(C#N)c(O)c1 ZINC000188208341 393562470 /nfs/dbraw/zinc/56/24/70/393562470.db2.gz IZFOZJSPVRJNTC-UHFFFAOYSA-N 0 1 268.272 2.525 20 30 CFEDMN C=CCN(Cc1cccs1)C(=O)CN(CC)C1CC1 ZINC000046058995 393577411 /nfs/dbraw/zinc/57/74/11/393577411.db2.gz XROAJQCWPYZKLC-UHFFFAOYSA-N 0 1 278.421 2.747 20 30 CFEDMN C=C[C@@H]1CCCCN1C(=O)NCc1ccc2cncn2c1 ZINC000334511330 393604498 /nfs/dbraw/zinc/60/44/98/393604498.db2.gz GILAHZIUJVTUHS-CQSZACIVSA-N 0 1 284.363 2.584 20 30 CFEDMN Cc1occc1CN(C)C[C@H](O)c1ccc(C#N)cc1 ZINC000048912784 393608743 /nfs/dbraw/zinc/60/87/43/393608743.db2.gz SCAQWIBABVNVRM-INIZCTEOSA-N 0 1 270.332 2.625 20 30 CFEDMN CC[C@H](CC(C)C)C(=O)N=c1[nH]n(C(C)(C)C)cc1C#N ZINC000410542125 393629467 /nfs/dbraw/zinc/62/94/67/393629467.db2.gz UKAYLTIYAFIMOR-GFCCVEGCSA-N 0 1 290.411 2.942 20 30 CFEDMN C[C@@H]1OCC[C@@]12CN(CCC1(C#N)CCCCC1)CCO2 ZINC000411659308 393736279 /nfs/dbraw/zinc/73/62/79/393736279.db2.gz OYQUMKPWVJCEOK-DOTOQJQBSA-N 0 1 292.423 2.730 20 30 CFEDMN N#Cc1ccc(CN(CCO)Cc2cccc(F)c2)cc1 ZINC000081667416 393737043 /nfs/dbraw/zinc/73/70/43/393737043.db2.gz PROOQZAGXPGLTK-UHFFFAOYSA-N 0 1 284.334 2.692 20 30 CFEDMN N#Cc1ccc(CN2CCC(c3ccncn3)CC2)cc1F ZINC000411822580 393751768 /nfs/dbraw/zinc/75/17/68/393751768.db2.gz BHCUNMYUEMYWAE-UHFFFAOYSA-N 0 1 296.349 2.867 20 30 CFEDMN C=CCN(CCc1ccco1)C(=O)c1ccc2cncn2c1 ZINC000340002917 393834984 /nfs/dbraw/zinc/83/49/84/393834984.db2.gz MAFQAQFBTOJBPQ-UHFFFAOYSA-N 0 1 295.342 2.798 20 30 CFEDMN C[C@H](C#N)CN(C(=O)c1cnc(-c2ccccc2)[nH]1)C1CC1 ZINC000338358325 393783478 /nfs/dbraw/zinc/78/34/78/393783478.db2.gz WXTJKUGZKAZZNV-GFCCVEGCSA-N 0 1 294.358 2.841 20 30 CFEDMN C=CCOCCSc1nc(-c2ccccc2)n[nH]1 ZINC000338522315 393789935 /nfs/dbraw/zinc/78/99/35/393789935.db2.gz AYTSJPYSOUWTDB-UHFFFAOYSA-N 0 1 261.350 2.766 20 30 CFEDMN CC[C@H](C(=O)Nc1ccc(CC#N)cc1Cl)N(C)C ZINC000413825945 393790339 /nfs/dbraw/zinc/79/03/39/393790339.db2.gz ACHNVRGGMDGMMT-CYBMUJFWSA-N 0 1 279.771 2.685 20 30 CFEDMN C=C(C)CN(C)[C@H]1CCN([C@@H](C)c2ccc(F)cc2)C1=O ZINC000339078108 393816470 /nfs/dbraw/zinc/81/64/70/393816470.db2.gz HWDFDCOLSGMFNQ-BBRMVZONSA-N 0 1 290.382 2.996 20 30 CFEDMN C=CCOCCN1CC[C@H](c2c(F)cccc2F)C1 ZINC000339093742 393818216 /nfs/dbraw/zinc/81/82/16/393818216.db2.gz FHZKCCKTZDXPMY-LBPRGKRZSA-N 0 1 267.319 2.957 20 30 CFEDMN COCC1(C#N)CCN(Cc2ccc(OC)c(C)c2)CC1 ZINC000342837013 393871810 /nfs/dbraw/zinc/87/18/10/393871810.db2.gz JPWQHBZEQXVNMJ-UHFFFAOYSA-N 0 1 288.391 2.756 20 30 CFEDMN C=CCCOCCCCC(=O)N[C@H]1CCCc2cn[nH]c21 ZINC000342967361 393875856 /nfs/dbraw/zinc/87/58/56/393875856.db2.gz UVQAAVUJVQBNCR-AWEZNQCLSA-N 0 1 291.395 2.666 20 30 CFEDMN N#CC1(CN(CCCO)[C@H]2CCc3ccccc32)CC1 ZINC000343318576 393884017 /nfs/dbraw/zinc/88/40/17/393884017.db2.gz YHNKXUHEIYLDSZ-INIZCTEOSA-N 0 1 270.376 2.662 20 30 CFEDMN N#CC1(F)CCN(Cc2cnc(-c3ccccc3)[nH]2)CC1 ZINC000348712645 393957563 /nfs/dbraw/zinc/95/75/63/393957563.db2.gz VNTIKQAFAKOJSF-UHFFFAOYSA-N 0 1 284.338 2.904 20 30 CFEDMN C[C@H]1CN(CC(=O)N(CCC#N)c2ccccc2)CC[C@@H]1C ZINC000122708065 393971490 /nfs/dbraw/zinc/97/14/90/393971490.db2.gz MGQCVHPYZSXDCY-HOTGVXAUSA-N 0 1 299.418 2.911 20 30 CFEDMN CC1=C[C@H](C)C[N@H+]([C@@H]2CCN(c3ccc(C#N)cc3)C2=O)C1 ZINC000430285702 393979758 /nfs/dbraw/zinc/97/97/58/393979758.db2.gz RFWNLAMRZFQEIE-SUMWQHHRSA-N 0 1 295.386 2.562 20 30 CFEDMN CC1=C[C@H](C)CN([C@@H]2CCN(c3ccc(C#N)cc3)C2=O)C1 ZINC000430285702 393979762 /nfs/dbraw/zinc/97/97/62/393979762.db2.gz RFWNLAMRZFQEIE-SUMWQHHRSA-N 0 1 295.386 2.562 20 30 CFEDMN CC[C@@H]1CCN(CC(=O)N(CCC#N)c2ccccc2)C1 ZINC000125586115 394009984 /nfs/dbraw/zinc/00/99/84/394009984.db2.gz RFALXTRCHVXWRI-OAHLLOKOSA-N 0 1 285.391 2.665 20 30 CFEDMN CC1(C)CCCN([C@@H](C(N)=O)c2ccc(C#N)cc2)CC1 ZINC000127139283 394043963 /nfs/dbraw/zinc/04/39/63/394043963.db2.gz PRAVXSONQBBDCR-OAHLLOKOSA-N 0 1 285.391 2.597 20 30 CFEDMN C#CCN[C@H](c1ccccc1)[C@@H](O)c1ccccc1 ZINC000491314372 394048051 /nfs/dbraw/zinc/04/80/51/394048051.db2.gz GDTYSNJXAHXNDY-SJORKVTESA-N 0 1 251.329 2.684 20 30 CFEDMN C=CCN(Cc1cccs1)C[C@@H](O)COCC(C)C ZINC000357906537 394092944 /nfs/dbraw/zinc/09/29/44/394092944.db2.gz AORBYARSMQWLGY-CQSZACIVSA-N 0 1 283.437 2.770 20 30 CFEDMN C=CCN(CCC#N)C(=O)c1cc(-c2ccc(C)cc2)[nH]n1 ZINC000359415962 394133502 /nfs/dbraw/zinc/13/35/02/394133502.db2.gz NXRWOTLDXQBQRA-UHFFFAOYSA-N 0 1 294.358 2.927 20 30 CFEDMN CCN1C[C@H](C)N(C(=O)/C=C\c2cccc(C#N)c2)[C@@H](C)C1 ZINC000493086853 394143956 /nfs/dbraw/zinc/14/39/56/394143956.db2.gz FMFCRSXMFWODFB-ZNQSWUDVSA-N 0 1 297.402 2.513 20 30 CFEDMN Cc1ccc(C#N)c(N2CC(N(C)Cc3ccccc3)C2)n1 ZINC000286524808 394197471 /nfs/dbraw/zinc/19/74/71/394197471.db2.gz ZWRXURMSHYRZRL-UHFFFAOYSA-N 0 1 292.386 2.582 20 30 CFEDMN CC(C)[C@H]1CCN([C@@H](C)C(=O)Nc2ccccc2C#N)C1 ZINC000134980199 394207676 /nfs/dbraw/zinc/20/76/76/394207676.db2.gz HYXMBPGFBRSAFU-ZFWWWQNUSA-N 0 1 285.391 2.863 20 30 CFEDMN CCN(C)C(=O)CCN1CCC[C@@H]1[C@H](C#N)c1ccccc1 ZINC000366581062 394245061 /nfs/dbraw/zinc/24/50/61/394245061.db2.gz WUKGCKWIZORSLX-IAGOWNOFSA-N 0 1 299.418 2.627 20 30 CFEDMN C#Cc1cccc(NC(=O)c2cn[nH]c2C(C)(C)C)c1 ZINC000292962445 394278792 /nfs/dbraw/zinc/27/87/92/394278792.db2.gz CZRXSDAJGXOULA-UHFFFAOYSA-N 0 1 267.332 2.941 20 30 CFEDMN CC#CCCN1CCC[C@H]1C(=O)Nc1ccc(OC)cc1 ZINC000156536854 394335182 /nfs/dbraw/zinc/33/51/82/394335182.db2.gz BKNCOKJMTMCHRO-INIZCTEOSA-N 0 1 286.375 2.512 20 30 CFEDMN CC[C@H](C)N1CCN(c2ncc(Cl)c(C)c2C#N)CC1 ZINC000450855443 394342276 /nfs/dbraw/zinc/34/22/76/394342276.db2.gz GFYAWMZHXAVKFY-NSHDSACASA-N 0 1 292.814 2.836 20 30 CFEDMN C=CCCC[N@H+](C)Cc1ccc(OCC(=O)[O-])cc1 ZINC000520241863 394378936 /nfs/dbraw/zinc/37/89/36/394378936.db2.gz ORHOOIFRALYGFB-UHFFFAOYSA-N 0 1 263.337 2.548 20 30 CFEDMN C[C@@H]1CCN(Cc2ccc(C#N)cc2[N+](=O)[O-])C[C@@H]1C ZINC000520588785 394380989 /nfs/dbraw/zinc/38/09/89/394380989.db2.gz YDJDLRRATVTYBV-NEPJUHHUSA-N 0 1 273.336 2.944 20 30 CFEDMN CC[C@@H]1C[C@@H](C)CN1Cc1cccc(C(=O)OC)c1C#N ZINC000535963236 394550365 /nfs/dbraw/zinc/55/03/65/394550365.db2.gz LKGGLYSOIGKMOW-TZMCWYRMSA-N 0 1 286.375 2.965 20 30 CFEDMN CC[C@H](C)CN(C)Cc1cccc(C(=O)OC)c1C#N ZINC000535963747 394550501 /nfs/dbraw/zinc/55/05/01/394550501.db2.gz NPOOGRQRTDYLQF-LBPRGKRZSA-N 0 1 274.364 2.823 20 30 CFEDMN Cc1n[nH]c(C(F)F)c1NC(=O)Cc1cccc(C#N)c1 ZINC000542778749 394712872 /nfs/dbraw/zinc/71/28/72/394712872.db2.gz XOADJSFNYBYPQG-UHFFFAOYSA-N 0 1 290.273 2.709 20 30 CFEDMN C[C@H](c1ccccc1)[N@H+]1CC[C@@H](Nc2ccncc2C#N)C1 ZINC000548481250 394935213 /nfs/dbraw/zinc/93/52/13/394935213.db2.gz IGHGEDCGQWCDDT-RHSMWYFYSA-N 0 1 292.386 2.623 20 30 CFEDMN C[C@@](O)(CN[C@H](CCC#N)c1ccccc1)C(F)(F)F ZINC000564723172 395081619 /nfs/dbraw/zinc/08/16/19/395081619.db2.gz HHKRPGIDLRAPGR-CHWSQXEVSA-N 0 1 286.297 2.934 20 30 CFEDMN C[C@H](O)C[C@H](CNC[C@@H](C#N)CCC#N)c1ccccc1 ZINC000574749838 395089915 /nfs/dbraw/zinc/08/99/15/395089915.db2.gz BYRSAZWWCPBIRO-ZMSDIMECSA-N 0 1 285.391 2.574 20 30 CFEDMN Cc1nsc(NC[C@H]2N(C)CCCC2(C)C)c1C#N ZINC000557674364 395043581 /nfs/dbraw/zinc/04/35/81/395043581.db2.gz RYHYBUBTMQDHGN-GFCCVEGCSA-N 0 1 278.425 2.856 20 30 CFEDMN C=CCCOCCCCC(=O)N1[C@H](C)CN(C)[C@@H](C)[C@@H]1C ZINC000650152978 395617150 /nfs/dbraw/zinc/61/71/50/395617150.db2.gz MXTHXMFXDRPBSH-PMPSAXMXSA-N 0 1 296.455 2.689 20 30 CFEDMN C[C@@H]1[C@H](O)CCN1CC#Cc1ccc(C(F)(F)F)cc1 ZINC000650188603 395623461 /nfs/dbraw/zinc/62/34/61/395623461.db2.gz QOLZCFOKOMJWJX-BXUZGUMPSA-N 0 1 283.293 2.512 20 30 CFEDMN C#C[C@H](NC(=O)c1c(C)n[nH]c1C(C)C)C(C)(C)C ZINC000491642786 397581513 /nfs/dbraw/zinc/58/15/13/397581513.db2.gz YJWFJFFWIXSSKT-NSHDSACASA-N 0 1 261.369 2.619 20 30 CFEDMN Cn1cc(CN2CCC(CCC#N)CC2)c(C(F)F)n1 ZINC000515643445 397583397 /nfs/dbraw/zinc/58/33/97/397583397.db2.gz SNUYIACLTSQRGZ-UHFFFAOYSA-N 0 1 282.338 2.873 20 30 CFEDMN C=C(C)CN(C)[C@H](C)C(=O)NC[C@H](C)c1ccccc1 ZINC000181276845 397609460 /nfs/dbraw/zinc/60/94/60/397609460.db2.gz SEBBDKLVHWSLDM-LSDHHAIUSA-N 0 1 274.408 2.803 20 30 CFEDMN CCC#C[C@@H](C)N1CCN(CC(F)(F)F)C[C@H](C)C1 ZINC000650201841 397728001 /nfs/dbraw/zinc/72/80/01/397728001.db2.gz ZPRIXVKICKQSRF-QWHCGFSZSA-N 0 1 276.346 2.604 20 30 CFEDMN C[C@@H]1CN(Cc2ccc(C#N)cc2C(F)(F)F)C[C@@H]1CO ZINC000356400335 155254404 /nfs/dbraw/zinc/25/44/04/155254404.db2.gz UVAFJEPTBSPEOV-ZWNOBZJWSA-N 0 1 298.308 2.637 20 30 CFEDMN C=CCCN(C)Cc1cc(Br)cnc1OC ZINC000660403704 413289223 /nfs/dbraw/zinc/28/92/23/413289223.db2.gz ZKDFMRGXVJJHAO-UHFFFAOYSA-N 0 1 285.185 2.861 20 30 CFEDMN CC[C@@H]1CO[C@H](C)CN1Cc1ccc(C#N)c(C)c1 ZINC000362960541 156128955 /nfs/dbraw/zinc/12/89/55/156128955.db2.gz OVYJVYCAAYMLMX-CZUORRHYSA-N 0 1 258.365 2.866 20 30 CFEDMN CCc1nc([C@@H]2CCCN(Cc3cccc(C#N)c3)C2)no1 ZINC000363103245 156147307 /nfs/dbraw/zinc/14/73/07/156147307.db2.gz FKLXCHPHTHEYNL-OAHLLOKOSA-N 0 1 296.374 2.883 20 30 CFEDMN N#Cc1ccc(CN2CCC([C@@H]3CCOC3)CC2)s1 ZINC000363847228 156198378 /nfs/dbraw/zinc/19/83/78/156198378.db2.gz MORVTQBBFASKEF-CYBMUJFWSA-N 0 1 276.405 2.868 20 30 CFEDMN N#Cc1ccc(OCCCN2CCC[C@H]2c2cc[nH]n2)cc1 ZINC000366790423 156239340 /nfs/dbraw/zinc/23/93/40/156239340.db2.gz ARECOSGWXHTQQV-KRWDZBQOSA-N 0 1 296.374 2.887 20 30 CFEDMN C=CCN1CC[C@H](N(C)Cc2cccc(SC)c2)C1=O ZINC000660463340 413336993 /nfs/dbraw/zinc/33/69/93/413336993.db2.gz AZWHSDNLVDVOPH-HNNXBMFYSA-N 0 1 290.432 2.627 20 30 CFEDMN C=CCN1CC[C@@H](N(C)Cc2cccc(SC)c2)C1=O ZINC000660463341 413337170 /nfs/dbraw/zinc/33/71/70/413337170.db2.gz AZWHSDNLVDVOPH-OAHLLOKOSA-N 0 1 290.432 2.627 20 30 CFEDMN N#Cc1ccc2ncc(CN3CCCC4(CCC4)C3)n2c1 ZINC000373486945 157000617 /nfs/dbraw/zinc/00/06/17/157000617.db2.gz UMQPPYYXKDPHTN-UHFFFAOYSA-N 0 1 280.375 2.972 20 30 CFEDMN N#Cc1cc(C(=O)Nc2cccc3c2CN(C2CC2)C3)c[nH]1 ZINC000375244630 157210856 /nfs/dbraw/zinc/21/08/56/157210856.db2.gz HLCSJGLWQJIWQC-UHFFFAOYSA-N 0 1 292.342 2.617 20 30 CFEDMN C=CCCn1cc(CN2CC[C@H](C)C[C@@H](C)C2)nn1 ZINC000653588857 413388598 /nfs/dbraw/zinc/38/85/98/413388598.db2.gz MMWWEKSRKRQHGL-UONOGXRCSA-N 0 1 262.401 2.722 20 30 CFEDMN C=CCCNC(=O)NC[C@@H](c1ccco1)N(CC)CC ZINC000663848430 413409161 /nfs/dbraw/zinc/40/91/61/413409161.db2.gz GUVROBASCZFEQZ-ZDUSSCGKSA-N 0 1 279.384 2.538 20 30 CFEDMN C=CCCn1cc(CN2CCC[C@@H](C(C)C)C2)nn1 ZINC000653633199 413415540 /nfs/dbraw/zinc/41/55/40/413415540.db2.gz UTAZOPOOHBVERU-CQSZACIVSA-N 0 1 262.401 2.722 20 30 CFEDMN CC[N@H+]1CCCC[C@H]1CNCc1ccc(C#N)cc1F ZINC000344315292 162006387 /nfs/dbraw/zinc/00/63/87/162006387.db2.gz ICYWAMWALFDKLG-HNNXBMFYSA-N 0 1 275.371 2.661 20 30 CFEDMN CC(C)OCCN[C@H](C)c1ccc(C#N)cc1F ZINC000344325212 162010370 /nfs/dbraw/zinc/01/03/70/162010370.db2.gz AAHRMUTTZCCTSE-LLVKDONJSA-N 0 1 250.317 2.773 20 30 CFEDMN C[C@@H](N[C@H](CO)CC(F)(F)F)c1ccc(C#N)c(F)c1 ZINC000346216463 162354673 /nfs/dbraw/zinc/35/46/73/162354673.db2.gz SYUHHBFXXPJLTP-KCJUWKMLSA-N 0 1 290.260 2.661 20 30 CFEDMN N#Cc1csc(CNCCc2ccc3ccccc3n2)n1 ZINC000352824974 163243003 /nfs/dbraw/zinc/24/30/03/163243003.db2.gz RVWCXPDPZCYVBV-UHFFFAOYSA-N 0 1 294.383 2.895 20 30 CFEDMN CCC1(CC)[C@H](NCc2nc(C#N)cs2)[C@@H](C)[C@H]1OC ZINC000352833840 163247145 /nfs/dbraw/zinc/24/71/45/163247145.db2.gz IDRJRIWSLICRIY-LERXQTSPSA-N 0 1 293.436 2.944 20 30 CFEDMN C[C@@H]1Cc2ccccc2N1CCNCc1nc(C#N)cs1 ZINC000352845353 163251815 /nfs/dbraw/zinc/25/18/15/163251815.db2.gz IGBDAEVIUNKFHF-GFCCVEGCSA-N 0 1 298.415 2.556 20 30 CFEDMN N#Cc1cc(CN2CC[C@@H](COC(F)F)C2)ccc1F ZINC000353024562 163289666 /nfs/dbraw/zinc/28/96/66/163289666.db2.gz HNLJPVVGAJPFOL-LLVKDONJSA-N 0 1 284.281 2.758 20 30 CFEDMN N#Cc1csc(CNCc2ccc3cc[nH]c3n2)c1 ZINC000353211575 163318341 /nfs/dbraw/zinc/31/83/41/163318341.db2.gz OGAIQLNTTWSCDF-UHFFFAOYSA-N 0 1 268.345 2.786 20 30 CFEDMN COc1cc(CNCc2ccc(C)cn2)ccc1C#N ZINC000353256061 163330531 /nfs/dbraw/zinc/33/05/31/163330531.db2.gz WUNFPTQOBLCOTN-UHFFFAOYSA-N 0 1 267.332 2.560 20 30 CFEDMN N#Cc1ccc(NC(=O)CN2CCCCCCC2)cc1 ZINC000006889006 170253379 /nfs/dbraw/zinc/25/33/79/170253379.db2.gz SVFYKTXCRLPZQP-UHFFFAOYSA-N 0 1 271.364 2.763 20 30 CFEDMN N#Cc1c(CN2CCC[C@@H]2[C@H]2CCCO2)cn2ccccc12 ZINC000284781275 196130533 /nfs/dbraw/zinc/13/05/33/196130533.db2.gz NJOSTUTWTQPLAN-QZTJIDSGSA-N 0 1 295.386 2.954 20 30 CFEDMN C=CC(C)(C)CNC(=O)c1c(C)n[nH]c1C(F)(F)F ZINC000653816920 413519690 /nfs/dbraw/zinc/51/96/90/413519690.db2.gz BKXKFYQELIPHPZ-UHFFFAOYSA-N 0 1 275.274 2.679 20 30 CFEDMN C=C(C)CCN(C)[C@H](c1nnc[nH]1)c1ccccc1 ZINC000660764936 413546080 /nfs/dbraw/zinc/54/60/80/413546080.db2.gz SVWXREIOMIFIGU-AWEZNQCLSA-N 0 1 256.353 2.792 20 30 CFEDMN C=CCCn1cc(CN[C@@H]2CCCC(F)(F)C2)nn1 ZINC000657402057 413561259 /nfs/dbraw/zinc/56/12/59/413561259.db2.gz KSERPEYGZWZHJX-LLVKDONJSA-N 0 1 270.327 2.522 20 30 CFEDMN C=CCNC(=O)CNCc1cccc(C2CCCC2)c1 ZINC000657428718 413590571 /nfs/dbraw/zinc/59/05/71/413590571.db2.gz NGVLRYRBJDPJJY-UHFFFAOYSA-N 0 1 272.392 2.736 20 30 CFEDMN C=CCCn1cc(CNC[C@H](C)c2ncc(C)s2)nn1 ZINC000657434262 413597856 /nfs/dbraw/zinc/59/78/56/413597856.db2.gz BPBHJXUJRPHFFL-NSHDSACASA-N 0 1 291.424 2.512 20 30 CFEDMN C=CC[C@H]1CCCC[C@H]1NCc1nnn(C(C)(C)C)n1 ZINC000657530509 413713533 /nfs/dbraw/zinc/71/35/33/413713533.db2.gz QKFUHDVHMYFGEF-QWHCGFSZSA-N 0 1 277.416 2.653 20 30 CFEDMN N#Cc1ccc([C@H](O)CN2CCCC[C@@H]2c2cc[nH]n2)cc1 ZINC000285481168 196298190 /nfs/dbraw/zinc/29/81/90/196298190.db2.gz VVTHGKUOROAWCC-IAGOWNOFSA-N 0 1 296.374 2.542 20 30 CFEDMN C=CCNC(=O)CN(Cc1ccsc1)C(C)(C)C ZINC000661137525 413778351 /nfs/dbraw/zinc/77/83/51/413778351.db2.gz QSCWAHAFEBECEH-UHFFFAOYSA-N 0 1 266.410 2.651 20 30 CFEDMN Cc1noc(C)c1C(C)(C)NCc1cc(C#N)n(C)c1 ZINC000285496752 196305428 /nfs/dbraw/zinc/30/54/28/196305428.db2.gz MTQIWUWDJDZUFR-UHFFFAOYSA-N 0 1 272.352 2.527 20 30 CFEDMN C=CC[N@@H+](Cc1ccccc1F)[C@@H](C(=O)[O-])C1CC1 ZINC000652400332 413923686 /nfs/dbraw/zinc/92/36/86/413923686.db2.gz MMABSKXHCKAMDL-CQSZACIVSA-N 0 1 263.312 2.677 20 30 CFEDMN C=CC[C@@H]1CCCN(CC(=O)Nc2cccc(OC)c2)C1 ZINC000661378261 413937981 /nfs/dbraw/zinc/93/79/81/413937981.db2.gz BHSSJBARHJRVGP-CQSZACIVSA-N 0 1 288.391 2.922 20 30 CFEDMN C=CC[C@H]1CCCN(Cc2n[nH]c(C(C)(C)C)n2)C1 ZINC000661384888 413942781 /nfs/dbraw/zinc/94/27/81/413942781.db2.gz LDERGATYHLJQOY-LBPRGKRZSA-N 0 1 262.401 2.890 20 30 CFEDMN C=C(C)C[N@H+](C)[C@H](C(=O)[O-])c1cccc(Cl)c1 ZINC000652430645 413943571 /nfs/dbraw/zinc/94/35/71/413943571.db2.gz SMWNKUXIABMHAS-LBPRGKRZSA-N 0 1 253.729 2.974 20 30 CFEDMN C=CC[C@@H]1CCCN(C(=O)NCc2ccc3cncn3c2)C1 ZINC000661305361 413887461 /nfs/dbraw/zinc/88/74/61/413887461.db2.gz QUXVGPOLRUJPQC-CQSZACIVSA-N 0 1 298.390 2.832 20 30 CFEDMN C=CCC[N@H+](CCC(=O)[O-])Cc1cccc(F)c1F ZINC000652483738 413977047 /nfs/dbraw/zinc/97/70/47/413977047.db2.gz GYLRXKBYNUOBJD-UHFFFAOYSA-N 0 1 269.291 2.818 20 30 CFEDMN C[C@@H]1CN(CCCCC(C)(C)C#N)C[C@@H](C)C1=O ZINC000661544804 414039324 /nfs/dbraw/zinc/03/93/24/414039324.db2.gz KLLABNXVMLZODH-CHWSQXEVSA-N 0 1 250.386 2.863 20 30 CFEDMN CC#CCCNC(=O)c1cccc(C(F)(F)F)c1O ZINC000654988028 414052740 /nfs/dbraw/zinc/05/27/40/414052740.db2.gz WAKSPLRMLJXGEB-UHFFFAOYSA-N 0 1 271.238 2.554 20 30 CFEDMN C=CCN(Cc1nccc(OC)c1OC)C(C)(C)C ZINC000661760720 414201578 /nfs/dbraw/zinc/20/15/78/414201578.db2.gz XWUYGLMOBMRLHN-UHFFFAOYSA-N 0 1 264.369 2.885 20 30 CFEDMN C=CC[C@H]1CCCC[C@H]1NC(=O)NCCN1CC=CCC1 ZINC000665388514 414317515 /nfs/dbraw/zinc/31/75/15/414317515.db2.gz PSKWHSXURJITDN-JKSUJKDBSA-N 0 1 291.439 2.682 20 30 CFEDMN C=CCN(CC=C)C(=O)CN(C)C[C@H]1CCc2ccccc21 ZINC000662201204 414452635 /nfs/dbraw/zinc/45/26/35/414452635.db2.gz KJNXNFNUJZZWKQ-QGZVFWFLSA-N 0 1 298.430 2.849 20 30 CFEDMN C=C1C[C@H]2CC[C@@H](C1)N2Cc1nccc(OC)c1OC ZINC000662090846 414404246 /nfs/dbraw/zinc/40/42/46/414404246.db2.gz SURPTHMXHGWWAL-BETUJISGSA-N 0 1 274.364 2.782 20 30 CFEDMN C=CC[C@@H]1CCCN([C@@H]2CC(=O)N(c3ccccc3)C2=O)C1 ZINC000656478415 414589052 /nfs/dbraw/zinc/58/90/52/414589052.db2.gz OBBBSYZNCSQVLA-GDBMZVCRSA-N 0 1 298.386 2.607 20 30 CFEDMN C=CC[C@@H]1CCCN(C(=O)NCCCc2cn[nH]c2C)C1 ZINC000656543410 414601995 /nfs/dbraw/zinc/60/19/95/414601995.db2.gz DDYVXBHLNTYNGI-CQSZACIVSA-N 0 1 290.411 2.648 20 30 CFEDMN C=CCCC(C)(C)NC(=O)NCCCc1cn[nH]c1C ZINC000663242768 414663185 /nfs/dbraw/zinc/66/31/85/414663185.db2.gz SWCNIFIJDNAWET-UHFFFAOYSA-N 0 1 278.400 2.695 20 30 CFEDMN C[C@H]1CN(CCCOc2ccc(C#N)cc2)CC(C)(C)O1 ZINC000044477660 175178841 /nfs/dbraw/zinc/17/88/41/175178841.db2.gz RDGAUMNHCPNDPD-AWEZNQCLSA-N 0 1 288.391 2.826 20 30 CFEDMN C=CCN(CC=C)C(=O)CN1CCCc2ccccc2C1 ZINC000171593168 335072344 /nfs/dbraw/zinc/07/23/44/335072344.db2.gz ZQEVPDYTHYLMGJ-UHFFFAOYSA-N 0 1 284.403 2.635 20 30 CFEDMN C=CCCCN(C)CC(=O)Nc1cc(C)ccc1OC ZINC000076738138 177077422 /nfs/dbraw/zinc/07/74/22/177077422.db2.gz CXKSTXXYUNPCES-UHFFFAOYSA-N 0 1 276.380 2.840 20 30 CFEDMN N#Cc1ccc(C(=O)Nc2c(O)cccc2F)cc1 ZINC000078807078 177391158 /nfs/dbraw/zinc/39/11/58/177391158.db2.gz XOPFFQDNQGIAHN-UHFFFAOYSA-N 0 1 256.236 2.655 20 30 CFEDMN Cc1[nH]ncc1CNc1nc(C(F)(F)F)ccc1C#N ZINC000078834935 177396101 /nfs/dbraw/zinc/39/61/01/177396101.db2.gz BERXPJFVEDYHSO-UHFFFAOYSA-N 0 1 281.241 2.616 20 30 CFEDMN C[C@H]1C[C@@]1(C#N)C(=O)Nc1cccc(Cl)c1O ZINC000334643102 225233948 /nfs/dbraw/zinc/23/39/48/225233948.db2.gz CSZKOXRWQJATDG-MADCSZMMSA-N 0 1 250.685 2.534 20 30 CFEDMN N#C[C@H](C(=O)c1cc2c(s1)CCC2)c1ccncn1 ZINC000354479202 227010951 /nfs/dbraw/zinc/01/09/51/227010951.db2.gz WHTORMIACYJDDO-JTQLQIEISA-N 0 1 269.329 2.517 20 30 CFEDMN N#CC(C(=O)c1cc2c(s1)CCC2)c1ccncn1 ZINC000354479202 227010957 /nfs/dbraw/zinc/01/09/57/227010957.db2.gz WHTORMIACYJDDO-JTQLQIEISA-N 0 1 269.329 2.517 20 30 CFEDMN N#C[C@@H](C(=O)c1cc2c(s1)CCC2)c1ccncn1 ZINC000354479208 227011165 /nfs/dbraw/zinc/01/11/65/227011165.db2.gz WHTORMIACYJDDO-SNVBAGLBSA-N 0 1 269.329 2.517 20 30 CFEDMN N#CC(C(=O)c1cc2c(s1)CCC2)c1ccncn1 ZINC000354479208 227011167 /nfs/dbraw/zinc/01/11/67/227011167.db2.gz WHTORMIACYJDDO-SNVBAGLBSA-N 0 1 269.329 2.517 20 30 CFEDMN O=C(NC[C@@H]1CCCC(F)(F)C1)[C@@H]1CCc2[nH]nnc2C1 ZINC000329140021 227322664 /nfs/dbraw/zinc/32/26/64/227322664.db2.gz STLNWHVJSCKUIC-NXEZZACHSA-N 0 1 298.337 2.692 20 30 CFEDMN O=C(NC[C@@H]1CCCC(F)(F)C1)[C@@H]1CCc2nn[nH]c2C1 ZINC000329140021 227322672 /nfs/dbraw/zinc/32/26/72/227322672.db2.gz STLNWHVJSCKUIC-NXEZZACHSA-N 0 1 298.337 2.692 20 30 CFEDMN O=C(NCCc1nc[nH]n1)[C@@H]1CCC[C@@H]2CCCC[C@@H]12 ZINC000329183086 227343621 /nfs/dbraw/zinc/34/36/21/227343621.db2.gz OSMLCUQUABKSMD-YNEHKIRRSA-N 0 1 276.384 2.910 20 30 CFEDMN O=C(CCc1cncc(F)c1)N[C@H]1CCCc2cn[nH]c21 ZINC000329362605 227469679 /nfs/dbraw/zinc/46/96/79/227469679.db2.gz HIUDPPZOUVERKX-ZDUSSCGKSA-N 0 1 288.326 2.911 20 30 CFEDMN C[C@H](NC(=O)[C@H]1CCCC[N@@H+]1C1CCCC1)c1nnc[nH]1 ZINC000330297937 228106066 /nfs/dbraw/zinc/10/60/66/228106066.db2.gz LGQMVUVXGXKZMX-WCQYABFASA-N 0 1 291.399 2.619 20 30 CFEDMN C[C@H](NC(=O)[C@H]1CCCC[N@H+]1C1CCCC1)c1nnc[nH]1 ZINC000330297937 228106067 /nfs/dbraw/zinc/10/60/67/228106067.db2.gz LGQMVUVXGXKZMX-WCQYABFASA-N 0 1 291.399 2.619 20 30 CFEDMN C[C@H](NC(=O)[C@H]1CCCC[N@@H+]1C1CCCC1)c1nnc[n-]1 ZINC000330297937 228106068 /nfs/dbraw/zinc/10/60/68/228106068.db2.gz LGQMVUVXGXKZMX-WCQYABFASA-N 0 1 291.399 2.619 20 30 CFEDMN C[C@H](NC(=O)[C@H]1CCCC[N@H+]1C1CCCC1)c1nnc[n-]1 ZINC000330297937 228106069 /nfs/dbraw/zinc/10/60/69/228106069.db2.gz LGQMVUVXGXKZMX-WCQYABFASA-N 0 1 291.399 2.619 20 30 CFEDMN Cc1cc(CC(=O)N[C@H](CCCC#N)c2ccccc2)[nH]n1 ZINC000352165741 228190685 /nfs/dbraw/zinc/19/06/85/228190685.db2.gz IQVHOXIERDTTFC-MRXNPFEDSA-N 0 1 296.374 2.812 20 30 CFEDMN C=CCN(CCc1ccco1)[C@@H](C)c1n[nH]c(CC)n1 ZINC000660226480 420503214 /nfs/dbraw/zinc/50/32/14/420503214.db2.gz XJCLLYDLUAEZMP-LBPRGKRZSA-N 0 1 274.368 2.752 20 30 CFEDMN Cc1cc(C#N)cc(NCC2CN(Cc3ccccc3)C2)n1 ZINC000716228767 782032658 /nfs/dbraw/zinc/03/26/58/782032658.db2.gz MBXBQOJYJLGFLJ-UHFFFAOYSA-N 0 1 292.386 2.806 20 30 CFEDMN C[C@@H](N[C@@H](C)c1cccc(Cl)c1)C(=O)N(C)CCC#N ZINC000070786561 260269932 /nfs/dbraw/zinc/26/99/32/260269932.db2.gz YICUYOVKYZXXBG-NWDGAFQWSA-N 0 1 293.798 2.751 20 30 CFEDMN CN(CC(=O)Nc1ccccc1SCC#N)C1CCC1 ZINC000072722388 260278153 /nfs/dbraw/zinc/27/81/53/260278153.db2.gz ZCTXBFXBGRTWQC-UHFFFAOYSA-N 0 1 289.404 2.725 20 30 CFEDMN N#CCCN(CCC(=O)Nc1ccccc1F)CC1CC1 ZINC000081043932 260329695 /nfs/dbraw/zinc/32/96/95/260329695.db2.gz SXZCJYYHHNIWCZ-UHFFFAOYSA-N 0 1 289.354 2.780 20 30 CFEDMN N#CCN1CCN(C2c3ccccc3-c3ccccc32)CC1 ZINC000104089610 260617639 /nfs/dbraw/zinc/61/76/39/260617639.db2.gz HCCKZWLJKGIFHZ-UHFFFAOYSA-N 0 1 289.382 2.898 20 30 CFEDMN C#CCN1CCC[C@@H](c2nc3ccc(F)cc3o2)C1 ZINC000370944803 260661334 /nfs/dbraw/zinc/66/13/34/260661334.db2.gz NYBBRNDMRHXYCM-LLVKDONJSA-N 0 1 258.296 2.780 20 30 CFEDMN N#CCSCCCN1CCc2c(F)cccc2C1 ZINC000152907491 261071403 /nfs/dbraw/zinc/07/14/03/261071403.db2.gz QKMLMDVTINQHGI-UHFFFAOYSA-N 0 1 264.369 2.831 20 30 CFEDMN N#CCC(=O)NC[C@@H](c1cccc(Cl)c1)N1CCCC1 ZINC000153575065 261080609 /nfs/dbraw/zinc/08/06/09/261080609.db2.gz MCHDLPVRSMDTTB-AWEZNQCLSA-N 0 1 291.782 2.507 20 30 CFEDMN CCc1nc(CN2CCN(CCCCC#N)CC2)cs1 ZINC000154466021 261091823 /nfs/dbraw/zinc/09/18/23/261091823.db2.gz AJDLKZLPIGLIMK-UHFFFAOYSA-N 0 1 292.452 2.517 20 30 CFEDMN Cn1c2ccccc2nc1[C@@H](C#N)C(=O)c1cscn1 ZINC000103329180 261280267 /nfs/dbraw/zinc/28/02/67/261280267.db2.gz DKSYHGJOFWISBL-VIFPVBQESA-N 0 1 282.328 2.520 20 30 CFEDMN Cn1c2ccccc2nc1C(C#N)C(=O)c1cscn1 ZINC000103329180 261280268 /nfs/dbraw/zinc/28/02/68/261280268.db2.gz DKSYHGJOFWISBL-VIFPVBQESA-N 0 1 282.328 2.520 20 30 CFEDMN CCCN(Cc1ccc(C#N)cc1)C[C@H](O)C(F)(F)F ZINC000185182261 262045184 /nfs/dbraw/zinc/04/51/84/262045184.db2.gz IETOCANHCUWHFD-ZDUSSCGKSA-N 0 1 286.297 2.693 20 30 CFEDMN CCOc1ccc(C(C)=O)cc1CON=C(N)C(C)C ZINC000185459521 262055169 /nfs/dbraw/zinc/05/51/69/262055169.db2.gz FHMWWTCGFLBWSK-UHFFFAOYSA-N 0 1 278.352 2.733 20 30 CFEDMN CC(C)C[C@@H](CNCC1(C#N)CC1)NC(=O)OC(C)(C)C ZINC000497268885 262130840 /nfs/dbraw/zinc/13/08/40/262130840.db2.gz LWXGDFUVUJHQCM-ZDUSSCGKSA-N 0 1 295.427 2.819 20 30 CFEDMN CCc1nc(CN2CCC[C@H]2[C@H](C#N)c2ccccc2)n[nH]1 ZINC000364282968 262194903 /nfs/dbraw/zinc/19/49/03/262194903.db2.gz YAWQZNKDHXRHLS-CABCVRRESA-N 0 1 295.390 2.639 20 30 CFEDMN Cc1ccc(-c2n[nH]c(NC(=O)C(C)(C)C#N)c2C)o1 ZINC000192488866 262204083 /nfs/dbraw/zinc/20/40/83/262204083.db2.gz QSNVDZVMWAGVNR-UHFFFAOYSA-N 0 1 272.308 2.775 20 30 CFEDMN C=CCNC(=O)[C@H](C)N1CC[C@@H](c2csc(C)c2)C1 ZINC000364342983 262211570 /nfs/dbraw/zinc/21/15/70/262211570.db2.gz WHAQJNTXPSLKMA-QWHCGFSZSA-N 0 1 278.421 2.537 20 30 CFEDMN N#CCC[C@@H](C#N)CSc1nc(Cc2ccccc2)n[nH]1 ZINC000193117250 262216706 /nfs/dbraw/zinc/21/67/06/262216706.db2.gz BYUQEMJLBCNTTD-ZDUSSCGKSA-N 0 1 297.387 2.931 20 30 CFEDMN C=CC1CCN(CC(=O)NCc2cccc(Cl)c2)CC1 ZINC000111257316 262258038 /nfs/dbraw/zinc/25/80/38/262258038.db2.gz RWODUTKTVBXLKL-UHFFFAOYSA-N 0 1 292.810 2.854 20 30 CFEDMN C=CC1CCN(CC(=O)N[C@@H](C)c2cccs2)CC1 ZINC000111258745 262258785 /nfs/dbraw/zinc/25/87/85/262258785.db2.gz RRMNFBHFBZWQNO-LBPRGKRZSA-N 0 1 278.421 2.823 20 30 CFEDMN C=CC1CCN(CC(=O)NCC2(c3ccccc3)CC2)CC1 ZINC000111259512 262259162 /nfs/dbraw/zinc/25/91/62/262259162.db2.gz OIIQOUISNCOLTE-UHFFFAOYSA-N 0 1 298.430 2.732 20 30 CFEDMN N#Cc1csc(CNC[C@H]2CCCC2(F)F)n1 ZINC000390837005 262350591 /nfs/dbraw/zinc/35/05/91/262350591.db2.gz ADNNHBWCSCDIJG-MRVPVSSYSA-N 0 1 257.309 2.540 20 30 CFEDMN Cc1cn[nH]c1CN1CCC[C@H]1[C@H](C#N)c1ccccc1 ZINC000365594080 262372500 /nfs/dbraw/zinc/37/25/00/262372500.db2.gz FJDADAWATIEAHI-WBVHZDCISA-N 0 1 280.375 2.990 20 30 CFEDMN C=C(C)COCCNCc1cc(F)ccc1OC ZINC000336793823 262393841 /nfs/dbraw/zinc/39/38/41/262393841.db2.gz YNIFVGULUKRLFP-UHFFFAOYSA-N 0 1 253.317 2.517 20 30 CFEDMN C=CC[C@H]1N(C(=O)NCc2cn[nH]c2C)CCCC1(C)C ZINC000445269433 262777788 /nfs/dbraw/zinc/77/77/88/262777788.db2.gz ZXJXECIDAHJQFA-CQSZACIVSA-N 0 1 290.411 2.994 20 30 CFEDMN C=CCN(CCc1ccco1)Cc1cnc(CC)nc1 ZINC000414434481 262917824 /nfs/dbraw/zinc/91/78/24/262917824.db2.gz QVQLGOPCUPIYQJ-UHFFFAOYSA-N 0 1 271.364 2.863 20 30 CFEDMN Cc1cccc(C(=O)N2CCCN([C@@H](C)CCC#N)CC2)c1 ZINC000276286798 263035844 /nfs/dbraw/zinc/03/58/44/263035844.db2.gz GTVOSDCBUBDUKG-INIZCTEOSA-N 0 1 299.418 2.835 20 30 CFEDMN CC[C@@H](C)c1nc([C@@H](C)NC(=O)C2(C#N)CCCC2)n[nH]1 ZINC000277180616 263040087 /nfs/dbraw/zinc/04/00/87/263040087.db2.gz YZSGGWPGEUUMAZ-GHMZBOCLSA-N 0 1 289.383 2.579 20 30 CFEDMN CC1(C)CCCN(C(=O)c2cccc3[nH]cnc32)[C@@H]1C#N ZINC000277404389 263041110 /nfs/dbraw/zinc/04/11/10/263041110.db2.gz BMZRYIZZRDOIKT-CYBMUJFWSA-N 0 1 282.347 2.717 20 30 CFEDMN CC1(C)[C@@H](NCCC#N)C[C@@H]1OCc1ccccc1 ZINC000278749993 263050444 /nfs/dbraw/zinc/05/04/44/263050444.db2.gz SJDXDMQMJGHFRS-GJZGRUSLSA-N 0 1 258.365 2.874 20 30 CFEDMN CCCN1CCN(C(=O)c2ccc(C(C)(C)C#N)cc2)CC1 ZINC000280114422 263059244 /nfs/dbraw/zinc/05/92/44/263059244.db2.gz CUQIUGIYQHZBAO-UHFFFAOYSA-N 0 1 299.418 2.656 20 30 CFEDMN CCC(N)=NOC[C@@H](OC)c1ccc(Cl)cc1 ZINC000282133277 263074540 /nfs/dbraw/zinc/07/45/40/263074540.db2.gz ABFYLRGWFSOFPD-LLVKDONJSA-N 0 1 256.733 2.726 20 30 CFEDMN N#CC1CCC(CN[C@@H](c2ncc[nH]2)c2cccnc2)CC1 ZINC000282154451 263074637 /nfs/dbraw/zinc/07/46/37/263074637.db2.gz CZFLANGXUMDFQC-ZBCRRDGASA-N 0 1 295.390 2.814 20 30 CFEDMN C=CCN(CC=C)C(=O)CN1CC=C(C(C)(C)C)CC1 ZINC000340192255 263087190 /nfs/dbraw/zinc/08/71/90/263087190.db2.gz VEHPTGDDAPNAMR-UHFFFAOYSA-N 0 1 276.424 2.865 20 30 CFEDMN CCC(N)=NOCc1ccc(Br)cc1C#N ZINC000288642264 263105241 /nfs/dbraw/zinc/10/52/41/263105241.db2.gz QIOLOBFKGDSHID-UHFFFAOYSA-N 0 1 282.141 2.520 20 30 CFEDMN Cc1cn[nH]c1CNc1ccccc1O[C@H](C)C#N ZINC000289627004 263111179 /nfs/dbraw/zinc/11/11/79/263111179.db2.gz WSWDBYGAERAIIV-LLVKDONJSA-N 0 1 256.309 2.621 20 30 CFEDMN CCc1ccc([C@H](C#N)NC(=O)C(F)(F)C(F)F)cc1 ZINC000290130159 263114831 /nfs/dbraw/zinc/11/48/31/263114831.db2.gz GZTSFCBEYLXNBY-JTQLQIEISA-N 0 1 288.244 2.830 20 30 CFEDMN CC1(C)CN(C(=O)CCCC#N)CCN1Cc1ccccc1 ZINC000291794220 263125519 /nfs/dbraw/zinc/12/55/19/263125519.db2.gz YDIURTSONMFZQA-UHFFFAOYSA-N 0 1 299.418 2.803 20 30 CFEDMN Cc1cc(CN[C@@H]2CCC[C@H](C#N)C2)nc(N2CCCC2)n1 ZINC000293253050 263138931 /nfs/dbraw/zinc/13/89/31/263138931.db2.gz BSCWRCFNTXKLFX-LSDHHAIUSA-N 0 1 299.422 2.557 20 30 CFEDMN Cc1ccccc1N1CCN([C@H]2CC[C@@H](C#N)C2)CC1 ZINC000293612767 263144179 /nfs/dbraw/zinc/14/41/79/263144179.db2.gz VRWBGGGLRBGQAX-CVEARBPZSA-N 0 1 269.392 2.809 20 30 CFEDMN Cc1ccccc1N1CCN([C@@H]2CC[C@@H](C#N)C2)CC1 ZINC000293612784 263144333 /nfs/dbraw/zinc/14/43/33/263144333.db2.gz VRWBGGGLRBGQAX-HZPDHXFCSA-N 0 1 269.392 2.809 20 30 CFEDMN C[C@@H](C(=O)N(C)CCC#N)N1CCC[C@H]1c1ccsc1 ZINC000298724730 263224546 /nfs/dbraw/zinc/22/45/46/263224546.db2.gz FJQRBIPIURIMAJ-JSGCOSHPSA-N 0 1 291.420 2.646 20 30 CFEDMN COc1cc(N2CCN([C@H](C)CCC#N)CC2)ccc1F ZINC000298701013 263224644 /nfs/dbraw/zinc/22/46/44/263224644.db2.gz ZWJCEKSQLCAYKT-CYBMUJFWSA-N 0 1 291.370 2.649 20 30 CFEDMN N#CC(C(=O)NCC(F)(F)F)c1nc2ccccc2s1 ZINC000299613770 263249303 /nfs/dbraw/zinc/24/93/03/263249303.db2.gz IXSAFJBUMJAVDQ-ZETCQYMHSA-N 0 1 299.277 2.582 20 30 CFEDMN C=C[C@H](CC(=O)N1C[C@H]2CCC[C@@H](C1)N2)c1ccccc1 ZINC000163847970 263260970 /nfs/dbraw/zinc/26/09/70/263260970.db2.gz WHTYXPBZVBFEPW-OIISXLGYSA-N 0 1 284.403 2.699 20 30 CFEDMN C=CCCC[N@H+](C)[C@@H](C)C(=O)Nc1cccc(C#N)c1 ZINC000121151149 263290295 /nfs/dbraw/zinc/29/02/95/263290295.db2.gz IPFGLENABBOYHH-ZDUSSCGKSA-N 0 1 271.364 2.783 20 30 CFEDMN C=CCCCN(C)Cc1cc([N+](=O)[O-])cc2c1OCOC2 ZINC000121169058 263293219 /nfs/dbraw/zinc/29/32/19/263293219.db2.gz NUEOWQUORUCIEQ-UHFFFAOYSA-N 0 1 292.335 2.859 20 30 CFEDMN C=CCC(C)(C)c1noc(CCCCc2cn[nH]n2)n1 ZINC000340827975 263308469 /nfs/dbraw/zinc/30/84/69/263308469.db2.gz QFWLIWYAQIHYEN-UHFFFAOYSA-N 0 1 275.356 2.607 20 30 CFEDMN N#CCN(C(=O)c1ccc2cncn2c1)c1ccccc1 ZINC000341152676 263324593 /nfs/dbraw/zinc/32/45/93/263324593.db2.gz IDONHNWKBZQMJU-UHFFFAOYSA-N 0 1 276.299 2.505 20 30 CFEDMN C=CC[C@@H](CC)NC(=O)N[C@H](c1nnc[nH]1)c1ccccc1 ZINC000341432794 263337882 /nfs/dbraw/zinc/33/78/82/263337882.db2.gz MAKMQDXPPVATCZ-KGLIPLIRSA-N 0 1 299.378 2.548 20 30 CFEDMN C=CCOc1cccc(CN2CCOCC3(CC3)C2)c1 ZINC000341559491 263340918 /nfs/dbraw/zinc/34/09/18/263340918.db2.gz GMLWTGDXOOFGRL-UHFFFAOYSA-N 0 1 273.376 2.864 20 30 CFEDMN C=CC[C@@H](C(=O)N1CCN(CC)C[C@H]1C)c1ccccc1 ZINC000341837498 263356988 /nfs/dbraw/zinc/35/69/88/263356988.db2.gz BHLJBFYUTRXHEY-NVXWUHKLSA-N 0 1 286.419 2.899 20 30 CFEDMN Cc1ccc2nc(NC(=O)C3(C#N)CCC3)[nH]c2c1 ZINC000334466087 263644926 /nfs/dbraw/zinc/64/49/26/263644926.db2.gz CXXHRWWVKZSJCL-UHFFFAOYSA-N 0 1 254.293 2.504 20 30 CFEDMN CCc1nc([C@@H](C)NC(=O)NC2CCC(C)(C)CC2)n[nH]1 ZINC000328916163 263901299 /nfs/dbraw/zinc/90/12/99/263901299.db2.gz KAXKFDCBMQCAQH-SNVBAGLBSA-N 0 1 293.415 2.901 20 30 CFEDMN C=CCn1cc(CNCCc2ccc(F)cc2Cl)nn1 ZINC000425349713 264024104 /nfs/dbraw/zinc/02/41/04/264024104.db2.gz HCDHVTBDTQFOFC-UHFFFAOYSA-N 0 1 294.761 2.589 20 30 CFEDMN CN(C)c1ccncc1C(=O)NC1CCC(C(N)=O)CC1 ZINC000330835360 264051162 /nfs/dbraw/zinc/05/11/62/264051162.db2.gz WNMOXZCHJYTDNX-UHFFFAOYSA-N 0 1 290.367 2.546 20 30 CFEDMN CC[C@H](C)C[C@H](C)[NH+]=C([O-])N[C@@H]1CCc2c[nH]nc2C1 ZINC000330973619 264101214 /nfs/dbraw/zinc/10/12/14/264101214.db2.gz GOCXTRJUWDKXDB-GMXVVIOVSA-N 0 1 278.400 2.595 20 30 CFEDMN Cc1cnc(C(=O)Nc2cn(C)nc2C(C)C)c(O)c1 ZINC000331220492 264165891 /nfs/dbraw/zinc/16/58/91/264165891.db2.gz JMQABXXNGNSWJX-UHFFFAOYSA-N 0 1 274.324 2.589 20 30 CFEDMN CCC[N@H+]1CCC[C@H]1CNC(=O)c1cc(F)c([O-])c(F)c1 ZINC000331248631 264179999 /nfs/dbraw/zinc/17/99/99/264179999.db2.gz XFZWESJKCMPDKC-NSHDSACASA-N 0 1 298.333 2.849 20 30 CFEDMN Cc1n[nH]c(C(C)C)c1C(=O)N[C@H](C)CC(C)(C)O ZINC000331360412 264209103 /nfs/dbraw/zinc/20/91/03/264209103.db2.gz XUVFMIOZJRDTAH-SECBINFHSA-N 0 1 267.373 2.696 20 30 CFEDMN C#CCOc1ccccc1NC(=O)c1cn[nH]c1C1CC1 ZINC000191047429 264460655 /nfs/dbraw/zinc/46/06/55/264460655.db2.gz FHIOXTGBSLSJGH-UHFFFAOYSA-N 0 1 281.315 2.551 20 30 CFEDMN CC(=O)Nc1ccccc1CNCc1cccc(C#N)c1 ZINC000090736048 264879602 /nfs/dbraw/zinc/87/96/02/264879602.db2.gz HKNVMSHDEQFZFG-UHFFFAOYSA-N 0 1 279.343 2.806 20 30 CFEDMN C=CCCCC(=O)N[C@H](Cc1nc[nH]n1)c1ccccc1 ZINC000356559219 266137588 /nfs/dbraw/zinc/13/75/88/266137588.db2.gz WSSUYZXTWXMAHN-CQSZACIVSA-N 0 1 284.363 2.561 20 30 CFEDMN C=C(C)[C@H]1OCC[C@H]1CNc1ccnc(C)c1Cl ZINC000356997441 266229243 /nfs/dbraw/zinc/22/92/43/266229243.db2.gz MOKRAOKYSHAPFP-SMDDNHRTSA-N 0 1 266.772 2.858 20 30 CFEDMN C=CCOc1ccc(CNC(=O)c2[nH]nc(C)c2C)cc1 ZINC000359093036 266534036 /nfs/dbraw/zinc/53/40/36/266534036.db2.gz BOJLGYXWRCJDEC-UHFFFAOYSA-N 0 1 285.347 2.521 20 30 CFEDMN N#CC1(c2ccccn2)CCN(CCOC2CCC2)CC1 ZINC000367890974 267124727 /nfs/dbraw/zinc/12/47/27/267124727.db2.gz INXRYJGXXNWHKV-UHFFFAOYSA-N 0 1 285.391 2.508 20 30 CFEDMN CCO[C@@]1(C)C[C@H]1N[C@@H](C)c1ccc(C#N)cc1F ZINC000527983009 267154883 /nfs/dbraw/zinc/15/48/83/267154883.db2.gz WLNVWIGTHQYKBW-VQISRLSMSA-N 0 1 262.328 2.915 20 30 CFEDMN CC[C@H](C)[C@H](C)NCc1c(C#N)cccc1[N+](=O)[O-] ZINC000459381533 267206119 /nfs/dbraw/zinc/20/61/19/267206119.db2.gz CMMJWVKNKYGQDE-QWRGUYRKSA-N 0 1 261.325 2.991 20 30 CFEDMN Cc1cccc([C@H]2CCCCCN2CC(=O)NCC#N)c1 ZINC000117897979 267225143 /nfs/dbraw/zinc/22/51/43/267225143.db2.gz DLFADPLMVFOYQP-MRXNPFEDSA-N 0 1 285.391 2.552 20 30 CFEDMN C#CCN1CCC(C(=O)N2CCCC23CCCCC3)CC1 ZINC000371127723 267353594 /nfs/dbraw/zinc/35/35/94/267353594.db2.gz BRQVEIUUKYYHJB-UHFFFAOYSA-N 0 1 288.435 2.657 20 30 CFEDMN CC[C@H](C#N)NC(=O)[C@H]1CCCCN1Cc1cccc(C)c1 ZINC000371164602 267356963 /nfs/dbraw/zinc/35/69/63/267356963.db2.gz OXIORPRLSRSLHV-IAGOWNOFSA-N 0 1 299.418 2.768 20 30 CFEDMN C=C(C)CN(CC)[C@@H](C)C(=O)N1CCc2ccccc21 ZINC000120109419 267381383 /nfs/dbraw/zinc/38/13/83/267381383.db2.gz NOUJDRBLTFUQOU-AWEZNQCLSA-N 0 1 272.392 2.862 20 30 CFEDMN C=CCCCCCCCCNC(=O)[C@H]1C[C@H]1c1nc[nH]n1 ZINC000377088536 268046633 /nfs/dbraw/zinc/04/66/33/268046633.db2.gz JWWCAIYWWJCWHX-KGLIPLIRSA-N 0 1 290.411 2.941 20 30 CFEDMN C[C@H]1C[C@H]1c1ccc(CNCc2cc(C#N)n(C)c2)o1 ZINC000517005016 270394478 /nfs/dbraw/zinc/39/44/78/270394478.db2.gz PIVCQHWFWXLFCX-XHDPSFHLSA-N 0 1 269.348 2.903 20 30 CFEDMN CCCN1CCN(c2ccc(Cl)cc2C#N)CC1 ZINC000052859538 273614240 /nfs/dbraw/zinc/61/42/40/273614240.db2.gz DMLUVQOVOYUDCD-UHFFFAOYSA-N 0 1 263.772 2.744 20 30 CFEDMN CO[C@H]1CCCN(CC#Cc2cccc(Cl)c2)C1 ZINC000158204007 274079330 /nfs/dbraw/zinc/07/93/30/274079330.db2.gz PDIGVAFRKNAWNH-HNNXBMFYSA-N 0 1 263.768 2.802 20 30 CFEDMN C[C@@H]1CN(c2nc(C(F)(F)F)ccc2C#N)C[C@H](C)N1C ZINC000135267449 274367429 /nfs/dbraw/zinc/36/74/29/274367429.db2.gz QEWYTZALAFHTIT-AOOOYVTPSA-N 0 1 298.312 2.501 20 30 CFEDMN C[C@H](NCC1(C#N)CC1)[C@@H]1Oc2ccccc2[C@@H]1C ZINC000348529877 274511497 /nfs/dbraw/zinc/51/14/97/274511497.db2.gz GJBUBVQVTRAFAY-SLEUVZQESA-N 0 1 256.349 2.833 20 30 CFEDMN C#CCCN1CCn2cccc2[C@H]1c1ccccc1 ZINC000268756179 275379622 /nfs/dbraw/zinc/37/96/22/275379622.db2.gz YLWFJTRGAXORIJ-QGZVFWFLSA-N 0 1 250.345 2.916 20 30 CFEDMN CC(C)[C@@H]1CN(c2c(Cl)cccc2C#N)CCN1C ZINC000487063209 276000225 /nfs/dbraw/zinc/00/02/25/276000225.db2.gz UCKFISKSDRMISJ-AWEZNQCLSA-N 0 1 277.799 2.988 20 30 CFEDMN CC1(C)CCC[C@](O)(CNC(=O)[C@H]2CCCN2C2CC2)C1 ZINC000330217693 278248403 /nfs/dbraw/zinc/24/84/03/278248403.db2.gz ISBPSIAYONWMED-RHSMWYFYSA-N 0 1 294.439 2.901 20 30 CFEDMN C[C@@H]1Cc2ccccc2N1C(=O)N[C@@H]1CCc2nc[nH]c2C1 ZINC000329743585 279018602 /nfs/dbraw/zinc/01/86/02/279018602.db2.gz QDHOTWPQZFNTJH-DGCLKSJQSA-N 0 1 296.374 2.632 20 30 CFEDMN C[C@@H]1Cc2ccccc2[C@@H]1NC(=O)[C@@H]1CCc2[nH]nnc2C1 ZINC000329040886 279019976 /nfs/dbraw/zinc/01/99/76/279019976.db2.gz SQMMRZXTFDWMLY-NSODJVPESA-N 0 1 296.374 2.800 20 30 CFEDMN C[C@@H]1Cc2ccccc2[C@@H]1NC(=O)[C@@H]1CCc2nn[nH]c2C1 ZINC000329040886 279019978 /nfs/dbraw/zinc/01/99/78/279019978.db2.gz SQMMRZXTFDWMLY-NSODJVPESA-N 0 1 296.374 2.800 20 30 CFEDMN CC(C)N(C(=O)CN[C@@H](C)c1ccc(C#N)cc1)C(C)C ZINC000271662230 279287013 /nfs/dbraw/zinc/28/70/13/279287013.db2.gz LJLXQQWDTCWTGF-AWEZNQCLSA-N 0 1 287.407 2.854 20 30 CFEDMN C[C@H]1[C@@H](C)N(Cc2c(C#N)cccc2[N+](=O)[O-])C[C@H]1C ZINC000419351759 280097141 /nfs/dbraw/zinc/09/71/41/280097141.db2.gz JQCIEMRHUFHWNL-IJLUTSLNSA-N 0 1 273.336 2.943 20 30 CFEDMN CC(C)[C@](C)(C#N)NC(=O)CN1CCC(C(C)(C)C)CC1 ZINC000172031733 335090258 /nfs/dbraw/zinc/09/02/58/335090258.db2.gz ZDRKHEPNXFCJJZ-KRWDZBQOSA-N 0 1 293.455 2.799 20 30 CFEDMN Cc1ccc2nc(NC(=O)c3ccc(C#N)cc3)[nH]c2c1 ZINC000344538790 281160788 /nfs/dbraw/zinc/16/07/88/281160788.db2.gz XWFHEHBOLJUGJH-UHFFFAOYSA-N 0 1 276.299 2.995 20 30 CFEDMN N#Cc1cnn2cc(CNCc3ccc(Cl)cc3)cnc12 ZINC000559273670 282004562 /nfs/dbraw/zinc/00/45/62/282004562.db2.gz UPEZDBOBAWKQOY-UHFFFAOYSA-N 0 1 297.749 2.544 20 30 CFEDMN C[C@@H](NCc1c(C#N)cccc1[N+](=O)[O-])C(C)(C)C ZINC000564732388 290228478 /nfs/dbraw/zinc/22/84/78/290228478.db2.gz RHMODVRPNHNVAH-SNVBAGLBSA-N 0 1 261.325 2.991 20 30 CFEDMN Cc1nc([C@@H]2CCCCN2Cc2ccc(C#N)cc2)n[nH]1 ZINC000370949785 293366628 /nfs/dbraw/zinc/36/66/28/293366628.db2.gz FTSUESRNHWNDDA-HNNXBMFYSA-N 0 1 281.363 2.712 20 30 CFEDMN O=C(NC1CCC(F)(F)CC1)N1CC[C@@H](n2cccn2)C1 ZINC000329802719 295376730 /nfs/dbraw/zinc/37/67/30/295376730.db2.gz JKMTWBWWHBJQNO-GFCCVEGCSA-N 0 1 298.337 2.622 20 30 CFEDMN O=C(N[C@@H]1C[C@@H]1C1CCCCC1)[C@@H]1CCc2[nH]nnc2C1 ZINC000329060043 295385836 /nfs/dbraw/zinc/38/58/36/295385836.db2.gz YYHJHUWZSCOTRP-YRGRVCCFSA-N 0 1 288.395 2.835 20 30 CFEDMN O=C(N[C@@H]1C[C@@H]1C1CCCCC1)[C@@H]1CCc2nn[nH]c2C1 ZINC000329060043 295385838 /nfs/dbraw/zinc/38/58/38/295385838.db2.gz YYHJHUWZSCOTRP-YRGRVCCFSA-N 0 1 288.395 2.835 20 30 CFEDMN N#CCCC1CCN([C@@H]2CCc3ccccc3NC2=O)CC1 ZINC000335384062 335092149 /nfs/dbraw/zinc/09/21/49/335092149.db2.gz AQCKYVIYCLPGMJ-QGZVFWFLSA-N 0 1 297.402 2.956 20 30 CFEDMN N#Cc1ccc(C[N@H+]2[C@H](C(=O)[O-])C[C@@H]3CCCC[C@@H]32)cc1 ZINC000227219115 303190975 /nfs/dbraw/zinc/19/09/75/303190975.db2.gz JRFQEPHOGLRHHK-JYJNAYRXSA-N 0 1 284.359 2.776 20 30 CFEDMN C=C(C)CN1CC[C@@H]1CN(C)C(=O)c1ccccc1C ZINC001085460884 782064044 /nfs/dbraw/zinc/06/40/44/782064044.db2.gz RVEFJJXZQATTJG-OAHLLOKOSA-N 0 1 272.392 2.717 20 30 CFEDMN N#CCC[C@H](C#N)CN[C@@H]1C[C@H]1c1ccccc1F ZINC000582171725 328605290 /nfs/dbraw/zinc/60/52/90/328605290.db2.gz OYVQSUHHAYKSRT-OSAQELSMSA-N 0 1 257.312 2.715 20 30 CFEDMN C[C@H]1C[N@@H+](CC(=O)N(CCC#N)c2ccccc2)C[C@H]1C ZINC000267608673 328179642 /nfs/dbraw/zinc/17/96/42/328179642.db2.gz AURYLFHHQCILPY-GASCZTMLSA-N 0 1 285.391 2.521 20 30 CFEDMN C[C@@H](NCCCC#N)c1cc(Br)ncc1F ZINC000273808240 328206753 /nfs/dbraw/zinc/20/67/53/328206753.db2.gz AHWCIYNQERNCJR-MRVPVSSYSA-N 0 1 286.148 2.938 20 30 CFEDMN CC1(C)CCCN(C(=O)c2cccc3n[nH]cc32)[C@@H]1C#N ZINC000277558527 328221481 /nfs/dbraw/zinc/22/14/81/328221481.db2.gz PBSJAMVZDWOERC-CQSZACIVSA-N 0 1 282.347 2.717 20 30 CFEDMN N#C[C@H]1CCC[C@H](NCc2nc3cc([N+](=O)[O-])ccc3[nH]2)C1 ZINC000278592930 328227847 /nfs/dbraw/zinc/22/78/47/328227847.db2.gz FCCLVSVBFVIGJT-QWRGUYRKSA-N 0 1 299.334 2.643 20 30 CFEDMN CCOc1ccccc1N1CCN([C@@H]2CC[C@@H](C#N)C2)CC1 ZINC000278629924 328228921 /nfs/dbraw/zinc/22/89/21/328228921.db2.gz OBJMSYNLCWHPCQ-HZPDHXFCSA-N 0 1 299.418 2.900 20 30 CFEDMN N#CCC[C@H](C#N)CNCCCOc1ccc(F)cc1 ZINC000574982760 328234705 /nfs/dbraw/zinc/23/47/05/328234705.db2.gz KQDFXYXUFMTUHK-CYBMUJFWSA-N 0 1 275.327 2.628 20 30 CFEDMN CC(C)N1CCN(C(=O)c2ccc(C(C)(C)C#N)cc2)CC1 ZINC000280982554 328237769 /nfs/dbraw/zinc/23/77/69/328237769.db2.gz UNVSBZUDEGTJTK-UHFFFAOYSA-N 0 1 299.418 2.654 20 30 CFEDMN C=C(C)CN[C@H](c1cnn(C)c1)c1ccc(F)cc1 ZINC000184590772 329260242 /nfs/dbraw/zinc/26/02/42/329260242.db2.gz SALLWBKXKDGGCC-HNNXBMFYSA-N 0 1 259.328 2.814 20 30 CFEDMN COc1cc(C[N@@H+](C)[C@@H]2CC[C@H](C#N)C2)cc(OC)c1 ZINC000292942027 328274195 /nfs/dbraw/zinc/27/41/95/328274195.db2.gz BADJVCODOKNODM-GXTWGEPZSA-N 0 1 274.364 2.828 20 30 CFEDMN COc1ccccc1CN1CCN([C@H]2CC[C@@H](C#N)C2)CC1 ZINC000293160272 328274571 /nfs/dbraw/zinc/27/45/71/328274571.db2.gz RMXVPKPIJVDEPD-WBVHZDCISA-N 0 1 299.418 2.505 20 30 CFEDMN COc1c(C)cnc(CN(C)[C@H]2CC[C@@H](C#N)C2)c1C ZINC000295056326 328284600 /nfs/dbraw/zinc/28/46/00/328284600.db2.gz BKYKZFUTCVTKKI-KGLIPLIRSA-N 0 1 273.380 2.831 20 30 CFEDMN COc1ccc(Cn2c(C)nc3c2CCCC3)cc1C#N ZINC000160709557 322341851 /nfs/dbraw/zinc/34/18/51/322341851.db2.gz VYDDDFFTTRJYSV-UHFFFAOYSA-N 0 1 281.359 2.999 20 30 CFEDMN CC(C)CN(C)CC(=O)Nc1ccccc1SCC#N ZINC000049442362 328361034 /nfs/dbraw/zinc/36/10/34/328361034.db2.gz JESGBXSFUBICRS-UHFFFAOYSA-N 0 1 291.420 2.829 20 30 CFEDMN Cn1cc(CNCc2cc3ccccc3o2)cc1C#N ZINC000190773983 324042837 /nfs/dbraw/zinc/04/28/37/324042837.db2.gz IMRMGLHANLGHMK-UHFFFAOYSA-N 0 1 265.316 2.933 20 30 CFEDMN CC(=Cc1sccc1C)c1nc(C)c(C#N)c(=O)[nH]1 ZINC000193610682 324074343 /nfs/dbraw/zinc/07/43/43/324074343.db2.gz FNYAAOKGSHGYHQ-TWGQIWQCSA-N 0 1 271.345 2.880 20 30 CFEDMN C[C@H](Cc1ccsc1)NCc1nc(C#N)cs1 ZINC000386105376 324473886 /nfs/dbraw/zinc/47/38/86/324473886.db2.gz JAMWHPOQRCAJLT-SECBINFHSA-N 0 1 263.391 2.797 20 30 CFEDMN Cc1ncncc1[C@@H](C)NCc1ccc(C#N)s1 ZINC000582251882 325189625 /nfs/dbraw/zinc/18/96/25/325189625.db2.gz MHBCWMGCUKXQMV-SECBINFHSA-N 0 1 258.350 2.569 20 30 CFEDMN CC(C)CCOC1CCN(Cc2ccc(C#N)cn2)CC1 ZINC000582367814 325199989 /nfs/dbraw/zinc/19/99/89/325199989.db2.gz FJDLOZUSCASWEV-UHFFFAOYSA-N 0 1 287.407 2.980 20 30 CFEDMN Cc1cccc(OC[C@H](C)NC[C@@H](C#N)CCC#N)c1 ZINC000564845488 327009406 /nfs/dbraw/zinc/00/94/06/327009406.db2.gz BFDVOEIFZBJWQJ-LSDHHAIUSA-N 0 1 271.364 2.795 20 30 CFEDMN CCn1c2ccccc2nc1CCNC[C@H](C#N)CCC#N ZINC000566107814 327137350 /nfs/dbraw/zinc/13/73/50/327137350.db2.gz ALGIZAVSMMIRGF-AWEZNQCLSA-N 0 1 295.390 2.632 20 30 CFEDMN CC#CCN(C)CCOc1cccc(Br)c1 ZINC000559464730 327247104 /nfs/dbraw/zinc/24/71/04/327247104.db2.gz BCINNGZEBWYREF-UHFFFAOYSA-N 0 1 282.181 2.783 20 30 CFEDMN C=CCCCCN1CCN(C(=O)Cc2ccccc2)CC1 ZINC000583421855 327355843 /nfs/dbraw/zinc/35/58/43/327355843.db2.gz CSIIEBNFJCODBJ-UHFFFAOYSA-N 0 1 286.419 2.730 20 30 CFEDMN C=CCCCCCNC(=O)[C@@H](N)c1ccc(C)cc1 ZINC000579373347 327363898 /nfs/dbraw/zinc/36/38/98/327363898.db2.gz REVRIENPTFBSTG-HNNXBMFYSA-N 0 1 260.381 2.857 20 30 CFEDMN COc1ccc(C[C@H](C)NC[C@H](C)C#N)c(C)c1OC ZINC000561956404 327434461 /nfs/dbraw/zinc/43/44/61/327434461.db2.gz GUQLKNUQOKXVQS-NEPJUHHUSA-N 0 1 276.380 2.693 20 30 CFEDMN CCOc1ccc([C@@H]2C[C@H]2NC[C@H](C#N)CCC#N)cc1 ZINC000564524591 327437624 /nfs/dbraw/zinc/43/76/24/327437624.db2.gz YYYVQABKQWCIIG-RRQGHBQHSA-N 0 1 283.375 2.974 20 30 CFEDMN Cc1ccnc(-c2n[nH]c([C@H](C)N[C@H]3CC[C@@H](C#N)C3)n2)c1 ZINC000569911773 327555571 /nfs/dbraw/zinc/55/55/71/327555571.db2.gz OZBDKMZIZJCCGO-XQQFMLRXSA-N 0 1 296.378 2.518 20 30 CFEDMN C#Cc1ccc(CN2C[C@H](C)O[C@@]3(CCO[C@H](C)C3)C2)cc1 ZINC000377710073 329026404 /nfs/dbraw/zinc/02/64/04/329026404.db2.gz ZYMKSTLXKWAIPN-JTDSTZFVSA-N 0 1 299.414 2.826 20 30 CFEDMN C=C[C@H](CC(=O)N[C@H]1CCc2nc[nH]c2C1)c1ccccc1 ZINC000378319977 329045833 /nfs/dbraw/zinc/04/58/33/329045833.db2.gz XDPAURYQIJHVOW-HIFRSBDPSA-N 0 1 295.386 2.743 20 30 CFEDMN C=CCNC(=O)[C@H](C)N1CCC(c2ccccc2C)CC1 ZINC000170953681 329072632 /nfs/dbraw/zinc/07/26/32/329072632.db2.gz SXHSXCQYJTVIFL-HNNXBMFYSA-N 0 1 286.419 2.865 20 30 CFEDMN CC(=O)Nc1cccc2c1CC[N@@H+](CCCCC#N)C2 ZINC000171033687 329074271 /nfs/dbraw/zinc/07/42/71/329074271.db2.gz AJSDHZIZKZMKOQ-UHFFFAOYSA-N 0 1 271.364 2.697 20 30 CFEDMN C=CCNC(=O)CN1C[C@@H](C)C[C@@H]1c1cccc(F)c1 ZINC000173923153 329151096 /nfs/dbraw/zinc/15/10/96/329151096.db2.gz LCJRJWJYNVKGDN-SWLSCSKDSA-N 0 1 276.355 2.511 20 30 CFEDMN C=CCN(Cc1n[nH]c(C2CC2)n1)Cc1ccccc1 ZINC000180402388 329215808 /nfs/dbraw/zinc/21/58/08/329215808.db2.gz LLOZFCPNEFOLKH-UHFFFAOYSA-N 0 1 268.364 2.870 20 30 CFEDMN C=C(C)CN(C)CC(=O)N(C)[C@H]1CCCC[C@H]1C ZINC000181292894 329229870 /nfs/dbraw/zinc/22/98/70/329229870.db2.gz GMOPNOIBSBMQML-KGLIPLIRSA-N 0 1 252.402 2.531 20 30 CFEDMN C[C@H]1CCC[C@@H](CO)N1CC#Cc1ccc(Cl)cc1 ZINC000181388122 329232577 /nfs/dbraw/zinc/23/25/77/329232577.db2.gz HHHVDLZJTZLDPS-BBRMVZONSA-N 0 1 277.795 2.927 20 30 CFEDMN Cc1csc(C(C#N)C(=O)c2cnn(CC(C)C)c2)n1 ZINC000181489531 329233636 /nfs/dbraw/zinc/23/36/36/329233636.db2.gz IRDSMBMIHDTZGX-GFCCVEGCSA-N 0 1 288.376 2.794 20 30 CFEDMN C=CCCC[C@H](C)NC(=O)[C@@H]1CCCc2[nH]ncc21 ZINC000182590231 329243100 /nfs/dbraw/zinc/24/31/00/329243100.db2.gz NDJIXCFGGOKGDV-NWDGAFQWSA-N 0 1 261.369 2.691 20 30 CFEDMN C=CC[N@H+](CCc1ccccc1)CC1(C(=O)[O-])CC1 ZINC000582910307 329287285 /nfs/dbraw/zinc/28/72/85/329287285.db2.gz IWQPGAZYTYWNIE-UHFFFAOYSA-N 0 1 259.349 2.582 20 30 CFEDMN C=C(C)CN(CC)C(=O)C[N@@H+]1CC[C@H](C)[C@H]1CC ZINC000185646123 329328259 /nfs/dbraw/zinc/32/82/59/329328259.db2.gz VEYWVEVXMYOPLN-UONOGXRCSA-N 0 1 252.402 2.531 20 30 CFEDMN C=C(C)C[C@H](C)C(=O)N[C@@H](c1n[nH]c(C)n1)c1ccccc1 ZINC000186153465 329338503 /nfs/dbraw/zinc/33/85/03/329338503.db2.gz SQCKGXAACBJUAV-SWLSCSKDSA-N 0 1 298.390 2.921 20 30 CFEDMN N#CC1(CNCc2cc(-n3ccnc3)cs2)CCC1 ZINC000572381112 330027781 /nfs/dbraw/zinc/02/77/81/330027781.db2.gz ZLCDOEKITXSCHD-UHFFFAOYSA-N 0 1 272.377 2.717 20 30 CFEDMN C=CCC[C@H](CO)N=c1nc(-c2ccccc2C)[nH]s1 ZINC000528031495 330305358 /nfs/dbraw/zinc/30/53/58/330305358.db2.gz VMMFFVTWUPBRRD-GFCCVEGCSA-N 0 1 289.404 2.674 20 30 CFEDMN C=CCn1cc(CNC2CC(c3ccc(C)cc3)C2)nn1 ZINC000424297688 330336416 /nfs/dbraw/zinc/33/64/16/330336416.db2.gz RAYFINFMFYRYBZ-UHFFFAOYSA-N 0 1 282.391 2.808 20 30 CFEDMN CC(C)CN(C(=O)CN1CCC(CC#N)CC1)C(C)C ZINC000542879492 330356672 /nfs/dbraw/zinc/35/66/72/330356672.db2.gz NFFWPNYLQHQTDA-UHFFFAOYSA-N 0 1 279.428 2.505 20 30 CFEDMN Cc1ccc(CC(=O)Nc2nc(-c3ccco3)n[nH]2)cc1O ZINC000089435479 330385090 /nfs/dbraw/zinc/38/50/90/330385090.db2.gz HLIANQHRSHQLEM-UHFFFAOYSA-N 0 1 298.302 2.909 20 30 CFEDMN COc1ccc(-n2ccc(CN[C@@H]3CC[C@H](C#N)C3)n2)cc1 ZINC000442798983 330784566 /nfs/dbraw/zinc/78/45/66/330784566.db2.gz XPTAXTBXKJMQIX-UONOGXRCSA-N 0 1 296.374 2.663 20 30 CFEDMN COCC1(C#N)CCN(Cc2ccc(C)cc2OC)CC1 ZINC000449311363 330913786 /nfs/dbraw/zinc/91/37/86/330913786.db2.gz LTQGKXONVYZYLR-UHFFFAOYSA-N 0 1 288.391 2.756 20 30 CFEDMN Cc1ccn(C2CCN(CC3(C#N)CCC3)CC2)n1 ZINC000450878626 331004433 /nfs/dbraw/zinc/00/44/33/331004433.db2.gz MMLCSHMNEGREDT-UHFFFAOYSA-N 0 1 258.369 2.522 20 30 CFEDMN C=CCCC[C@@H](C)[N@H+]1CCC[C@H](c2n[n-]c(=O)o2)C1 ZINC000450894553 331005458 /nfs/dbraw/zinc/00/54/58/331005458.db2.gz GAGCCXVOFZPTHE-NEPJUHHUSA-N 0 1 265.357 2.699 20 30 CFEDMN N#CC1(CN2CCC(CO)(c3ccccc3)CC2)CCC1 ZINC000451059618 331014088 /nfs/dbraw/zinc/01/40/88/331014088.db2.gz DOTQNRDTXLAHIK-UHFFFAOYSA-N 0 1 284.403 2.706 20 30 CFEDMN C[C@@H]1CN(CCCC#N)C2(CCCC2)C[N@@H+]1CCCC#N ZINC000451348581 331025225 /nfs/dbraw/zinc/02/52/25/331025225.db2.gz XXQAGCLGLRFYAH-MRXNPFEDSA-N 0 1 288.439 2.913 20 30 CFEDMN C=C[C@@H]1OCC[C@H]1NCc1c(F)cccc1Cl ZINC000451601161 331035846 /nfs/dbraw/zinc/03/58/46/331035846.db2.gz UGVCSRZJURBOHK-OLZOCXBDSA-N 0 1 255.720 2.912 20 30 CFEDMN C=C[C@@H]1OCC[C@H]1NCc1nc2c(cccc2F)n1CC ZINC000451609642 331036705 /nfs/dbraw/zinc/03/67/05/331036705.db2.gz QFNBJDAKYOTGEO-OCCSQVGLSA-N 0 1 289.354 2.628 20 30 CFEDMN C=CC[C@H](C)N[C@@H](c1cn[nH]n1)c1ccc(F)cc1 ZINC000453149386 331094343 /nfs/dbraw/zinc/09/43/43/331094343.db2.gz SNVZDRFTGWJMGB-IINYFYTJSA-N 0 1 260.316 2.587 20 30 CFEDMN C=C(CC)CNC(=O)NC[C@H](c1ccsc1)N(C)C ZINC000454236237 331142492 /nfs/dbraw/zinc/14/24/92/331142492.db2.gz IKRZPEBDYWIWNF-CYBMUJFWSA-N 0 1 281.425 2.616 20 30 CFEDMN C=CC(C)(C)CNC(=O)NCc1nc2ccc(C)cc2[nH]1 ZINC000454616609 331149861 /nfs/dbraw/zinc/14/98/61/331149861.db2.gz ZOVNILOAEJBJSJ-UHFFFAOYSA-N 0 1 286.379 2.883 20 30 CFEDMN C=C(C)CCNC(=O)NCc1ccc(CN(C)C)c(F)c1 ZINC000454731394 331152489 /nfs/dbraw/zinc/15/24/89/331152489.db2.gz JIFVVTLDSKMUPW-UHFFFAOYSA-N 0 1 293.386 2.653 20 30 CFEDMN Cc1cc(C[C@H](C)NC(=O)Nc2cccc(CC#N)c2)n[nH]1 ZINC000455906794 331180454 /nfs/dbraw/zinc/18/04/54/331180454.db2.gz OCLIRHMNNQHOBP-NSHDSACASA-N 0 1 297.362 2.537 20 30 CFEDMN C=C(C)C[C@H](C)C(=O)NC[C@@H](c1nc[nH]n1)c1ccccc1 ZINC000456686202 331198795 /nfs/dbraw/zinc/19/87/95/331198795.db2.gz IRKCBNLESXPPPW-DZGCQCFKSA-N 0 1 298.390 2.655 20 30 CFEDMN CC(C)(CC#N)CNC(=O)[C@@H]1CCCN1Cc1ccccc1 ZINC000457986661 331238795 /nfs/dbraw/zinc/23/87/95/331238795.db2.gz IVRDLOBPCXHYNT-INIZCTEOSA-N 0 1 299.418 2.707 20 30 CFEDMN C=C(CC)CNC(=O)NC[C@@H](c1ccco1)N(CC)CC ZINC000458074291 331242283 /nfs/dbraw/zinc/24/22/83/331242283.db2.gz PIUISVIJZDTFRU-AWEZNQCLSA-N 0 1 293.411 2.928 20 30 CFEDMN C=CCC[N@H+](C)Cc1cc(=O)[nH]c(-c2ccccc2)n1 ZINC000459441392 331281590 /nfs/dbraw/zinc/28/15/90/331281590.db2.gz VSLWTQFINSWTPU-UHFFFAOYSA-N 0 1 269.348 2.857 20 30 CFEDMN N#C[C@H]1CCC[C@H]1NCCC(=O)N1CCCc2ccccc21 ZINC000459452916 331282021 /nfs/dbraw/zinc/28/20/21/331282021.db2.gz BWNCDUWALYJHTG-HZPDHXFCSA-N 0 1 297.402 2.638 20 30 CFEDMN N#C[C@@H]1CCC[C@H]1NC[C@@H](O)Cc1cccc(Cl)c1 ZINC000459489216 331284685 /nfs/dbraw/zinc/28/46/85/331284685.db2.gz XJVWLGYRSITNPV-AEGPPILISA-N 0 1 278.783 2.525 20 30 CFEDMN C=C(C)CCN1CCN(c2ccc(C(=O)OC)s2)CC1 ZINC000459511735 331285510 /nfs/dbraw/zinc/28/55/10/331285510.db2.gz MZAXYMGTMQAATK-UHFFFAOYSA-N 0 1 294.420 2.623 20 30 CFEDMN C=CCN1CC[C@@H](N(C)Cc2ccc(C3CC3)cc2)C1=O ZINC000459525253 331286084 /nfs/dbraw/zinc/28/60/84/331286084.db2.gz HBSGAMDQWSTWMA-QGZVFWFLSA-N 0 1 284.403 2.783 20 30 CFEDMN CC(C)(CC#N)CNCc1nccn1-c1ccccc1 ZINC000459725534 331295986 /nfs/dbraw/zinc/29/59/86/331295986.db2.gz CVDMDEJUXUYYCB-UHFFFAOYSA-N 0 1 268.364 2.902 20 30 CFEDMN C[C@H](CN(C)CC#Cc1ccccc1)C(=O)OC(C)(C)C ZINC000459830909 331302330 /nfs/dbraw/zinc/30/23/30/331302330.db2.gz RGKOJXFAUAYDCC-OAHLLOKOSA-N 0 1 287.403 2.948 20 30 CFEDMN C=CCn1cccc1C(=O)NCC[N@H+](C)Cc1ccccc1 ZINC000489074921 332040568 /nfs/dbraw/zinc/04/05/68/332040568.db2.gz NBAGTCHDJLDOJQ-UHFFFAOYSA-N 0 1 297.402 2.536 20 30 CFEDMN C=CCC(CC=C)C(=O)N1CCN(C)[C@H](C(C)C)C1 ZINC000489387744 332049662 /nfs/dbraw/zinc/04/96/62/332049662.db2.gz FNBLTRAMJDHATQ-HNNXBMFYSA-N 0 1 264.413 2.553 20 30 CFEDMN C=C[C@@H]1CCCCN1Cc1cc(-c2cnn(C)c2)no1 ZINC000489424269 332051324 /nfs/dbraw/zinc/05/13/24/332051324.db2.gz IJMIWLDMVUMADW-CYBMUJFWSA-N 0 1 272.352 2.616 20 30 CFEDMN C=C[C@H]1CCCCN1CC(=O)N[C@@H](C)c1ccccc1 ZINC000489502598 332056879 /nfs/dbraw/zinc/05/68/79/332056879.db2.gz YYAMWTLYIIMZPZ-HOCLYGCPSA-N 0 1 272.392 2.904 20 30 CFEDMN C=CCCCS(=O)(=O)NCC(F)(F)c1ccccc1 ZINC000489826653 332069267 /nfs/dbraw/zinc/06/92/67/332069267.db2.gz HOIPZWPZXCRYLK-UHFFFAOYSA-N 0 1 289.347 2.664 20 30 CFEDMN C#CCN1CCC(C(=O)OC[C@@H](C)c2ccccc2)CC1 ZINC000490840372 332119318 /nfs/dbraw/zinc/11/93/18/332119318.db2.gz NYZMIWFNMAFZAV-OAHLLOKOSA-N 0 1 285.387 2.679 20 30 CFEDMN C#CCN1CCC(C(=O)O[C@H](C)c2ccccc2)CC1 ZINC000490898323 332127053 /nfs/dbraw/zinc/12/70/53/332127053.db2.gz JTINVZKATPMYII-CQSZACIVSA-N 0 1 271.360 2.636 20 30 CFEDMN C#CCN(Cc1cnn(CC(F)(F)F)c1)C1CCCC1 ZINC000490916457 332128885 /nfs/dbraw/zinc/12/88/85/332128885.db2.gz SMTGZPJBJQSFKV-UHFFFAOYSA-N 0 1 285.313 2.823 20 30 CFEDMN COc1ccccc1-c1ncc(CNCCCC#N)cn1 ZINC000491358878 332196332 /nfs/dbraw/zinc/19/63/32/332196332.db2.gz IDJIBPOFHTXYQV-UHFFFAOYSA-N 0 1 282.347 2.546 20 30 CFEDMN C#C[C@H](CCC)NC(=O)[C@@H]1CCc2[nH]c(C(C)C)nc2C1 ZINC000491361338 332196867 /nfs/dbraw/zinc/19/68/67/332196867.db2.gz KUHWODZESOSVRL-CHWSQXEVSA-N 0 1 287.407 2.556 20 30 CFEDMN C#C[C@H](CC)NCc1cc2c(cc1OC(F)F)OCO2 ZINC000491659409 332270016 /nfs/dbraw/zinc/27/00/16/332270016.db2.gz MLUCTHRLOJUTFC-SNVBAGLBSA-N 0 1 283.274 2.518 20 30 CFEDMN C#CCN(Cc1ccc(C(=O)OC)cn1)C1CCCCC1 ZINC000491671002 332278016 /nfs/dbraw/zinc/27/80/16/332278016.db2.gz ZZNXWLGALBNSCW-UHFFFAOYSA-N 0 1 286.375 2.636 20 30 CFEDMN C#C[C@@H](NCc1ccc(-c2cc[nH]n2)o1)C(C)(C)C ZINC000491673343 332279523 /nfs/dbraw/zinc/27/95/23/332279523.db2.gz UMTAVASMBIRUOK-CQSZACIVSA-N 0 1 257.337 2.807 20 30 CFEDMN C#CCN(Cc1cnc([C@@H](C)O)s1)C1CCCCC1 ZINC000491726752 332310084 /nfs/dbraw/zinc/31/00/84/332310084.db2.gz GIOAODPYVIAOBZ-GFCCVEGCSA-N 0 1 278.421 2.964 20 30 CFEDMN C[C@@H](CN1CCC(C)(C#N)CC1)NC(=O)OC(C)(C)C ZINC000492258334 332389580 /nfs/dbraw/zinc/38/95/80/332389580.db2.gz LWHRQSHOMAGGDU-LBPRGKRZSA-N 0 1 281.400 2.525 20 30 CFEDMN C[C@H]1CCCC[C@@]1(CNC(=O)OC(C)(C)C)NCCC#N ZINC000495982948 332535513 /nfs/dbraw/zinc/53/55/13/332535513.db2.gz POBPESNBYXFYSG-BBRMVZONSA-N 0 1 295.427 2.963 20 30 CFEDMN CC[C@@H](C(=O)OC(C)(C)C)N1CCC(CC#N)CC1 ZINC000516902224 333085797 /nfs/dbraw/zinc/08/57/97/333085797.db2.gz JEAXBEWYEJHUFL-ZDUSSCGKSA-N 0 1 266.385 2.732 20 30 CFEDMN CC[C@H]1Cc2ccccc2CN1CC(=O)N(CC)CCC#N ZINC000185805044 333149168 /nfs/dbraw/zinc/14/91/68/333149168.db2.gz SLQJWFVJBLRXIK-KRWDZBQOSA-N 0 1 299.418 2.585 20 30 CFEDMN CCC1(CC)CCN(CC(=O)N[C@](C)(C#N)C(C)C)CC1 ZINC000186555466 333162698 /nfs/dbraw/zinc/16/26/98/333162698.db2.gz DEBBLSFNBNQVSR-MRXNPFEDSA-N 0 1 293.455 2.943 20 30 CFEDMN C=C[C@@](C)(CC)C(=O)NCC[N@H+]1CCCC[C@@H]1C ZINC000190571246 333208263 /nfs/dbraw/zinc/20/82/63/333208263.db2.gz DXLVAQHOPHUQBA-ZFWWWQNUSA-N 0 1 252.402 2.579 20 30 CFEDMN CCOC(=O)[C@H](C)N(CCCC(C)(C)C#N)C1CC1 ZINC000190846345 333211713 /nfs/dbraw/zinc/21/17/13/333211713.db2.gz MBYKLBXAEJKBAK-LBPRGKRZSA-N 0 1 266.385 2.732 20 30 CFEDMN C#CCN1CCC(C(=O)OCc2ccc(Cl)cc2)CC1 ZINC000195093292 333245187 /nfs/dbraw/zinc/24/51/87/333245187.db2.gz GJEWETKGKAIREL-UHFFFAOYSA-N 0 1 291.778 2.728 20 30 CFEDMN C=CCCCCCN1CCN(Cc2ccon2)CC1 ZINC000193361042 333248570 /nfs/dbraw/zinc/24/85/70/333248570.db2.gz SLEBGVUAMGTLCL-UHFFFAOYSA-N 0 1 263.385 2.539 20 30 CFEDMN C=CCCN1CC[C@H]1CN(C)C(=O)c1oc(C)cc1C ZINC001085539522 782095576 /nfs/dbraw/zinc/09/55/76/782095576.db2.gz YNGBFWFKCJCUQE-AWEZNQCLSA-N 0 1 276.380 2.619 20 30 CFEDMN C#C[C@@H](CC)NCc1c(C)nn(-c2ccccc2)c1C ZINC000229881484 333310794 /nfs/dbraw/zinc/31/07/94/333310794.db2.gz OICGCINVWQMYTO-HNNXBMFYSA-N 0 1 267.376 2.991 20 30 CFEDMN CCN(CC(=O)N(CCC#N)c1ccccc1)C1CCC1 ZINC000524593499 333367755 /nfs/dbraw/zinc/36/77/55/333367755.db2.gz CPNNOYBWKRTBAL-UHFFFAOYSA-N 0 1 285.391 2.808 20 30 CFEDMN C[C@@H]1CCCC[C@H]1N(C)C(=O)CN1CCC(CC#N)CC1 ZINC000541024757 333759695 /nfs/dbraw/zinc/75/96/95/333759695.db2.gz POTHIZQBZIOYJY-GDBMZVCRSA-N 0 1 291.439 2.649 20 30 CFEDMN C[C@@H](C(=O)N(C)Cc1ccccc1)N1CCC(CC#N)CC1 ZINC000543811578 333901630 /nfs/dbraw/zinc/90/16/30/333901630.db2.gz SSURULNZWKZMLT-HNNXBMFYSA-N 0 1 299.418 2.659 20 30 CFEDMN CCN(CCC#N)C(=O)CN[C@@H](C)c1ccc(Cl)cc1 ZINC000076572469 334084779 /nfs/dbraw/zinc/08/47/79/334084779.db2.gz RSZQCCKXICBEBQ-LBPRGKRZSA-N 0 1 293.798 2.753 20 30 CFEDMN C=C(C)CN(CC)C(=O)[C@H](C)N(C)Cc1ccccc1 ZINC000078605561 334137175 /nfs/dbraw/zinc/13/71/75/334137175.db2.gz LKBQBBQRERMZJJ-HNNXBMFYSA-N 0 1 274.408 2.932 20 30 CFEDMN C[C@H](C#N)CNC(=O)c1c(O)cc(Cl)cc1Cl ZINC000080032453 334165296 /nfs/dbraw/zinc/16/52/96/334165296.db2.gz NNYUFDAWPDIRGT-ZCFIWIBFSA-N 0 1 273.119 2.588 20 30 CFEDMN N#C[C@@H]1CC[C@@H](N2CCC[C@@H](OCC(F)(F)F)C2)C1 ZINC000549844432 334206551 /nfs/dbraw/zinc/20/65/51/334206551.db2.gz UPGUNNVWAZHCSH-IJLUTSLNSA-N 0 1 276.302 2.722 20 30 CFEDMN C=CCCCN(C)Cc1ccsc1C(=O)OC ZINC000088523486 334339269 /nfs/dbraw/zinc/33/92/69/334339269.db2.gz VKDHKUYBAZBPKT-UHFFFAOYSA-N 0 1 253.367 2.933 20 30 CFEDMN N#CC1(CNC[C@@H](O)Cc2cccc(Cl)c2)CCC1 ZINC000565887685 334606078 /nfs/dbraw/zinc/60/60/78/334606078.db2.gz ASELLPYCAKXHHL-AWEZNQCLSA-N 0 1 278.783 2.527 20 30 CFEDMN CCO[C@@H]1C[C@H]1N[C@@H](CCC#N)c1ccc(OC)cc1 ZINC000572587962 334764817 /nfs/dbraw/zinc/76/48/17/334764817.db2.gz DLAUOJQKVIHDAR-ARFHVFGLSA-N 0 1 274.364 2.807 20 30 CFEDMN CCOc1ccccc1NC(=O)CCN[C@@H](CC)CC#N ZINC000568181232 334801118 /nfs/dbraw/zinc/80/11/18/334801118.db2.gz NYRLUHKBHWLAQG-ZDUSSCGKSA-N 0 1 289.379 2.696 20 30 CFEDMN N#CC1(CNCCC(=O)Nc2cccc(Cl)c2)CC1 ZINC000577484467 335357249 /nfs/dbraw/zinc/35/72/49/335357249.db2.gz RWTMPHCFUBMBAA-UHFFFAOYSA-N 0 1 277.755 2.562 20 30 CFEDMN C[C@H](Cc1ccccc1Br)NCCC#N ZINC000578316126 335605208 /nfs/dbraw/zinc/60/52/08/335605208.db2.gz OBALMQFHUZKVQC-SNVBAGLBSA-N 0 1 267.170 2.883 20 30 CFEDMN N#CCC[C@@H](C#N)CNC[C@@H]1CSc2ccccc21 ZINC000578970780 335694017 /nfs/dbraw/zinc/69/40/17/335694017.db2.gz HALCKHFGUHHKOU-QWHCGFSZSA-N 0 1 271.389 2.909 20 30 CFEDMN C=CCNC(=O)CN[C@@H](c1ccc(F)cc1F)C(C)C ZINC000181641657 335775896 /nfs/dbraw/zinc/77/58/96/335775896.db2.gz WXJDDNFMBCJFNK-OAHLLOKOSA-N 0 1 282.334 2.554 20 30 CFEDMN Cc1cccc(NC(=O)C[C@@H](C)NC[C@H](C)C#N)c1C ZINC000183840537 335909534 /nfs/dbraw/zinc/90/95/34/335909534.db2.gz YPBJLHYCZVKSAF-DGCLKSJQSA-N 0 1 273.380 2.770 20 30 CFEDMN C=CCCC[N@H+](C)[C@@H](C(=O)[O-])c1ccc(F)cc1 ZINC000581375013 336064272 /nfs/dbraw/zinc/06/42/72/336064272.db2.gz LELFHOYECYLDDU-CYBMUJFWSA-N 0 1 251.301 2.849 20 30 CFEDMN C=C(C)C[N@@H+](CC)CCOc1ccccc1C(=O)[O-] ZINC000382504263 336091722 /nfs/dbraw/zinc/09/17/22/336091722.db2.gz TXGGFCRVSSPSSH-UHFFFAOYSA-N 0 1 263.337 2.662 20 30 CFEDMN C=C(CC)C[N@@H+](CC(=O)[O-])Cc1cc(OC)cc(OC)c1 ZINC000581613230 336112407 /nfs/dbraw/zinc/11/24/07/336112407.db2.gz WJTDOBQKLQJDHA-UHFFFAOYSA-N 0 1 293.363 2.557 20 30 CFEDMN C=C(C)CCN1CC[C@@H]1CN(C)C(=O)c1sccc1F ZINC001085583444 782106499 /nfs/dbraw/zinc/10/64/99/782106499.db2.gz INOUERPCCOVILZ-GFCCVEGCSA-N 0 1 296.411 3.000 20 30 CFEDMN C#CCCN1CC[C@@H]1CN(C)C(=O)c1sc(C)cc1C ZINC001085619389 782116980 /nfs/dbraw/zinc/11/69/80/782116980.db2.gz NNINNXODOOQUMM-CQSZACIVSA-N 0 1 290.432 2.535 20 30 CFEDMN C#CCCN1CC[C@H]1CN(C)C(=O)c1ccccc1C(C)C ZINC001085629747 782120343 /nfs/dbraw/zinc/12/03/43/782120343.db2.gz ATLGVNZQNJXHAM-INIZCTEOSA-N 0 1 298.430 2.980 20 30 CFEDMN C#CCCN1CC[C@@H]1CN(C)C(=O)c1cscc1Cl ZINC001085658116 782124316 /nfs/dbraw/zinc/12/43/16/782124316.db2.gz JMNHZIZWRKQRQW-LLVKDONJSA-N 0 1 296.823 2.571 20 30 CFEDMN C=C(C)CN1CC[C@@H]1CN(C)C(=O)[C@H]1CCCC12CC2 ZINC001085667148 782129257 /nfs/dbraw/zinc/12/92/57/782129257.db2.gz ALDSWTLLPHKDBD-HUUCEWRRSA-N 0 1 276.424 2.676 20 30 CFEDMN C=CCN1CC[C@H]1CN(C)C(=O)c1c(C)[nH]c2ccccc21 ZINC001085710917 782141611 /nfs/dbraw/zinc/14/16/11/782141611.db2.gz VTEZWZONBUDJFR-AWEZNQCLSA-N 0 1 297.402 2.809 20 30 CFEDMN CCCCN(CCCO)Cc1ccc(F)cc1C#N ZINC000305773254 520505876 /nfs/dbraw/zinc/50/58/76/520505876.db2.gz LNMBFEFOVANFGC-UHFFFAOYSA-N 0 1 264.344 2.682 20 30 CFEDMN CCN(Cc1cccc(C#N)c1F)C[C@H](C)OC ZINC000361573792 521338738 /nfs/dbraw/zinc/33/87/38/521338738.db2.gz OEMDQOBUDJHZPD-NSHDSACASA-N 0 1 250.317 2.554 20 30 CFEDMN C=C(C)CN1CC[C@@H]1CN(C)C(=O)c1cc[nH]c1C1CC1 ZINC001085787223 782161683 /nfs/dbraw/zinc/16/16/83/782161683.db2.gz JBBSFWDUBDGMAW-CQSZACIVSA-N 0 1 287.407 2.615 20 30 CFEDMN Cc1ccc2[nH]c(CN[C@@H]3CC[C@@H](C#N)C3)nc2c1 ZINC000336170648 534504778 /nfs/dbraw/zinc/50/47/78/534504778.db2.gz UXMFSFTVROTGSE-VXGBXAGGSA-N 0 1 254.337 2.653 20 30 CFEDMN Cc1ccc2nc(CN[C@@H]3CC[C@@H](C#N)C3)[nH]c2c1 ZINC000336170648 534504782 /nfs/dbraw/zinc/50/47/82/534504782.db2.gz UXMFSFTVROTGSE-VXGBXAGGSA-N 0 1 254.337 2.653 20 30 CFEDMN CC1(C)[C@@H]2CN(Cc3cn4ccccc4c3C#N)C[C@@H]21 ZINC000172969530 520644992 /nfs/dbraw/zinc/64/49/92/520644992.db2.gz XIUDFUJFUPTNGR-GASCZTMLSA-N 0 1 265.360 2.899 20 30 CFEDMN COC[C@H]1CCN(Cc2ncc(-c3ccc(C#N)cc3)o2)C1 ZINC000361201622 522844331 /nfs/dbraw/zinc/84/43/31/522844331.db2.gz NBYIQEHMPGDUEH-AWEZNQCLSA-N 0 1 297.358 2.682 20 30 CFEDMN CN(Cc1cc(C#N)n(C)c1)Cc1ccc(F)cc1 ZINC000191178826 523168392 /nfs/dbraw/zinc/16/83/92/523168392.db2.gz SRZQHVODWQUUGP-UHFFFAOYSA-N 0 1 257.312 2.668 20 30 CFEDMN COc1ccc(C#N)cc1CN1CCC(c2c[nH]cn2)CC1 ZINC000360701151 523521430 /nfs/dbraw/zinc/52/14/30/523521430.db2.gz VPHNFQJSHCBAIX-UHFFFAOYSA-N 0 1 296.374 2.670 20 30 CFEDMN CO[C@@H]1CCN(Cc2cc(C#N)cs2)CC1(C)C ZINC000336207252 523685218 /nfs/dbraw/zinc/68/52/18/523685218.db2.gz UKTOEVGPTZWISS-CYBMUJFWSA-N 0 1 264.394 2.867 20 30 CFEDMN CO[C@H]1CCN(Cc2cccc(C#N)c2F)C[C@@H]1C ZINC000336257744 523997243 /nfs/dbraw/zinc/99/72/43/523997243.db2.gz STPVWQJXNHUTIA-FZMZJTMJSA-N 0 1 262.328 2.554 20 30 CFEDMN CNC(=O)C[C@@H](NCc1ccc(C#N)s1)c1ccccc1 ZINC000360762370 524075437 /nfs/dbraw/zinc/07/54/37/524075437.db2.gz FNVHGZIDUFEKET-OAHLLOKOSA-N 0 1 299.399 2.587 20 30 CFEDMN COc1cccc2c1OCC[C@@H]2NCc1cc(C#N)n(C)c1 ZINC000365078734 524235807 /nfs/dbraw/zinc/23/58/07/524235807.db2.gz WIOBRJFTFQOHLL-HNNXBMFYSA-N 0 1 297.358 2.519 20 30 CFEDMN N#Cc1ccc(F)c(CNC(=O)[C@@H]2CCCN2C2CC2)c1 ZINC000330242499 534784081 /nfs/dbraw/zinc/78/40/81/534784081.db2.gz WLQVCKZEEXEAKS-HNNXBMFYSA-N 0 1 287.338 2.781 20 30 CFEDMN C[C@@H]1CCN(Cc2ccc(C#N)c(F)c2)C[C@@H]1n1ccnc1 ZINC000192119301 524509201 /nfs/dbraw/zinc/50/92/01/524509201.db2.gz YDZKTOAMDDDMQG-DYVFJYSZSA-N 0 1 298.365 2.977 20 30 CFEDMN C[C@@H](CN1CCCCC1)Nc1nccc(C#N)c1Cl ZINC000235104436 524610442 /nfs/dbraw/zinc/61/04/42/524610442.db2.gz IIALMEQGWLYSDQ-NSHDSACASA-N 0 1 278.787 2.893 20 30 CFEDMN Cc1cc([C@H](C)NCCc2cccc(C#N)c2)no1 ZINC000340534828 525517528 /nfs/dbraw/zinc/51/75/28/525517528.db2.gz RXLUJROPUSRPPN-LBPRGKRZSA-N 0 1 255.321 2.748 20 30 CFEDMN Cc1ccsc1[C@@H](CO)NCc1ccc(C#N)c(F)c1 ZINC000361754576 525872947 /nfs/dbraw/zinc/87/29/47/525872947.db2.gz NUJDURKLGUGMMW-CQSZACIVSA-N 0 1 290.363 2.891 20 30 CFEDMN C=CCN(CCC(=O)OC)Cc1ccc(F)c(F)c1 ZINC000111255965 526272989 /nfs/dbraw/zinc/27/29/89/526272989.db2.gz KWEQFMSNKJSKLU-UHFFFAOYSA-N 0 1 269.291 2.516 20 30 CFEDMN C=CCN(CCc1ccco1)Cc1cc(C)nn1C ZINC000417981556 526326034 /nfs/dbraw/zinc/32/60/34/526326034.db2.gz KCMAYYWRCRIODC-UHFFFAOYSA-N 0 1 259.353 2.552 20 30 CFEDMN N#Cc1c(F)cccc1CN1CCC[C@H]2COCC[C@H]21 ZINC000336111903 526522804 /nfs/dbraw/zinc/52/28/04/526522804.db2.gz OOYOAEYLUAFIKS-XJKSGUPXSA-N 0 1 274.339 2.698 20 30 CFEDMN N#Cc1cc(CN2CCC[C@@H](c3cc[nH]n3)C2)ccc1F ZINC000160939549 526547923 /nfs/dbraw/zinc/54/79/23/526547923.db2.gz JUFHXKSJWKEECB-CYBMUJFWSA-N 0 1 284.338 2.800 20 30 CFEDMN C=C(C)CN(CCOCC(C)C)Cc1ccc(CO)o1 ZINC000352813189 526552420 /nfs/dbraw/zinc/55/24/20/526552420.db2.gz CACYQRURZCDGDE-UHFFFAOYSA-N 0 1 281.396 2.823 20 30 CFEDMN N#Cc1cc(F)ccc1CN(CCO)C1CCCCC1 ZINC000071264608 526558946 /nfs/dbraw/zinc/55/89/46/526558946.db2.gz GMBGNCHGABNULZ-UHFFFAOYSA-N 0 1 276.355 2.824 20 30 CFEDMN C=C(C)CN(Cc1ccc(CO)o1)C[C@H]1CC[C@H](C)O1 ZINC000352813540 526560063 /nfs/dbraw/zinc/56/00/63/526560063.db2.gz DHAOHJTZJVXWBF-UONOGXRCSA-N 0 1 279.380 2.718 20 30 CFEDMN C=C(C)CN(Cc1ccc(CO)o1)C[C@H]1CCCCO1 ZINC000352814324 526560463 /nfs/dbraw/zinc/56/04/63/526560463.db2.gz HIRJQXCWXGFNLT-CQSZACIVSA-N 0 1 279.380 2.719 20 30 CFEDMN N#Cc1ccc(CN2CCCC[C@@H]2CO)c(Cl)c1 ZINC000162873651 526611351 /nfs/dbraw/zinc/61/13/51/526611351.db2.gz HGEDMAIIJXDXOI-CYBMUJFWSA-N 0 1 264.756 2.558 20 30 CFEDMN N#Cc1ccc(CN2CC[C@@H](Oc3ccncc3)C2)cc1F ZINC000361834672 526616942 /nfs/dbraw/zinc/61/69/42/526616942.db2.gz WGZDPXPYIDNUQH-MRXNPFEDSA-N 0 1 297.333 2.746 20 30 CFEDMN N#Cc1ccc(CSc2cn[nH]n2)c(Br)c1 ZINC000335379564 526632653 /nfs/dbraw/zinc/63/26/53/526632653.db2.gz JURPETVBRPOCCA-UHFFFAOYSA-N 0 1 295.165 2.731 20 30 CFEDMN C=C(C)CN1CC[C@@H]1CN(C)C(=O)c1ccc(F)c(C)c1 ZINC001085791349 782164272 /nfs/dbraw/zinc/16/42/72/782164272.db2.gz GUHWMTSJPZJJQU-OAHLLOKOSA-N 0 1 290.382 2.857 20 30 CFEDMN C=CCOCCCC(=O)N(C)Cc1cc(C(C)(C)C)[nH]n1 ZINC000347530774 526728337 /nfs/dbraw/zinc/72/83/37/526728337.db2.gz ZMNUNJUWDYJSIU-UHFFFAOYSA-N 0 1 293.411 2.648 20 30 CFEDMN C=CCCN1CC[C@@H]1CN(C)C(=O)c1coc(C(F)F)c1 ZINC001085785944 782164314 /nfs/dbraw/zinc/16/43/14/782164314.db2.gz CEFASSKELPCVSZ-GFCCVEGCSA-N 0 1 298.333 2.940 20 30 CFEDMN N#Cc1csc(CNc2ccc3c(n2)CCC3)c1 ZINC000336218761 526781972 /nfs/dbraw/zinc/78/19/72/526781972.db2.gz SNIAXYPCGVETRU-UHFFFAOYSA-N 0 1 255.346 2.537 20 30 CFEDMN N#Cc1csc(CN[C@@H]2COCc3ccccc32)c1 ZINC000334939836 526783371 /nfs/dbraw/zinc/78/33/71/526783371.db2.gz XCYCIJBKVNIIAO-OAHLLOKOSA-N 0 1 270.357 2.981 20 30 CFEDMN C=C1CCN(Cc2ccc(OCCOC)c(OC)c2)CC1 ZINC000353321407 526904371 /nfs/dbraw/zinc/90/43/71/526904371.db2.gz PZGBJPQLSGZXKW-UHFFFAOYSA-N 0 1 291.391 2.872 20 30 CFEDMN C=CCOc1ccccc1C(=O)C(C#N)c1ccncn1 ZINC000354469326 526930378 /nfs/dbraw/zinc/93/03/78/526930378.db2.gz QOAABFTYEGLEIX-ZDUSSCGKSA-N 0 1 279.299 2.531 20 30 CFEDMN C=CCC(C)(C)C(=O)N[C@@H](C)c1n[nH]c(C(C)C)n1 ZINC000344381055 526994321 /nfs/dbraw/zinc/99/43/21/526994321.db2.gz NUWVFVDEJMLCES-JTQLQIEISA-N 0 1 264.373 2.708 20 30 CFEDMN C=CCC(C)(C)CNC(=O)[C@@H]1CCCc2[nH]cnc21 ZINC000352544639 527011770 /nfs/dbraw/zinc/01/17/70/527011770.db2.gz BURWWVZVPYXSLY-LLVKDONJSA-N 0 1 261.369 2.548 20 30 CFEDMN C=CCC(C)(C)CNC(=O)c1cn[nH]c1-c1ccccn1 ZINC000352505271 527014436 /nfs/dbraw/zinc/01/44/36/527014436.db2.gz ZNBBRPKKXHYSMG-UHFFFAOYSA-N 0 1 284.363 2.804 20 30 CFEDMN Cn1cc(CN2CC=C(c3ccc(O)cc3)CC2)cc1C#N ZINC000191198315 527197860 /nfs/dbraw/zinc/19/78/60/527197860.db2.gz VVNQRVGUDCCQMF-UHFFFAOYSA-N 0 1 293.370 2.892 20 30 CFEDMN C=CCC[C@H](NC(=O)N1CCN[C@H](C)C1)c1ccccc1 ZINC000417907166 527476204 /nfs/dbraw/zinc/47/62/04/527476204.db2.gz DNYDWYQLDYGSEZ-ZBFHGGJFSA-N 0 1 287.407 2.697 20 30 CFEDMN C=CCC[C@H](O)CN1[C@H](C)COC[C@@H]1c1ccccc1 ZINC000347495923 527493621 /nfs/dbraw/zinc/49/36/21/527493621.db2.gz YFZATXHBVSSNOY-HYVNUMGLSA-N 0 1 275.392 2.776 20 30 CFEDMN C=C(C)CN1CC[C@H]1CN(C)C(=O)C1CCC(=C)CC1 ZINC001085797840 782165739 /nfs/dbraw/zinc/16/57/39/782165739.db2.gz BSKGAYVBDKFOKT-INIZCTEOSA-N 0 1 276.424 2.842 20 30 CFEDMN CC(C)c1nc([C@H](C)NC(=O)[C@H]2CCCOCC2)n[nH]1 ZINC000330229298 528312256 /nfs/dbraw/zinc/31/22/56/528312256.db2.gz QBSGDZBDFNIZLB-QWRGUYRKSA-N 0 1 280.372 2.762 20 30 CFEDMN CC(C)C[C@@H](N)c1noc(Cc2ccc(C#N)cc2)n1 ZINC000414618692 528349369 /nfs/dbraw/zinc/34/93/69/528349369.db2.gz MYZCGKJUXWQRSO-CYBMUJFWSA-N 0 1 270.336 2.578 20 30 CFEDMN CC[C@H](C)c1nc([C@H](C)NC(=O)[C@@H]2C[C@]23CCOC3)n[nH]1 ZINC000330201586 529276436 /nfs/dbraw/zinc/27/64/36/529276436.db2.gz XZZDWLDATOUUJO-VEABSNGSSA-N 0 1 292.383 2.762 20 30 CFEDMN CC[C@H]1CN(Cc2cc(C#N)ccc2OC)CCS1 ZINC000154155912 529296113 /nfs/dbraw/zinc/29/61/13/529296113.db2.gz ICBCBQNUIULOOU-AWEZNQCLSA-N 0 1 276.405 2.894 20 30 CFEDMN CCN1CCCC[C@@H]1C(=O)Nc1cc(C)cc(C#N)c1 ZINC000456933179 535475638 /nfs/dbraw/zinc/47/56/38/535475638.db2.gz BCYTXQVHCWCDQB-OAHLLOKOSA-N 0 1 271.364 2.680 20 30 CFEDMN CC[C@H]1CN(CC)CCN1Cc1cc(C#N)cs1 ZINC000449564387 536142388 /nfs/dbraw/zinc/14/23/88/536142388.db2.gz AIKKAWUWYDEQTC-ZDUSSCGKSA-N 0 1 263.410 2.536 20 30 CFEDMN C#CCNC(=O)CN1CCCCC[C@H]1/C=C/c1ccccc1 ZINC000753862252 574052367 /nfs/dbraw/zinc/05/23/67/574052367.db2.gz OCKHFPVRBNRZIY-HHNLSAEISA-N 0 1 296.414 2.694 20 30 CFEDMN Fc1ccc2[nH]cc(C=NNC3=N[C@@H]4CCCC[C@H]4N3)c2c1 ZINC000753931422 574055320 /nfs/dbraw/zinc/05/53/20/574055320.db2.gz YWLNLUQTTJTQJD-HUUCEWRRSA-N 0 1 299.353 2.501 20 30 CFEDMN Cc1cc(C)c(C=NNC2=N[C@H]3CCCC[C@H]3N2)c(C)c1 ZINC000753929084 574055380 /nfs/dbraw/zinc/05/53/80/574055380.db2.gz NWHQXMHJMJJZOU-IYBDPMFKSA-N 0 1 284.407 2.806 20 30 CFEDMN CC(=NNC1=N[C@@H]2CCCC[C@H]2N1)c1cc(C)cc(C)c1 ZINC000753934850 574055961 /nfs/dbraw/zinc/05/59/61/574055961.db2.gz KNZIOKOGXNUUPH-HZPDHXFCSA-N 0 1 284.407 2.887 20 30 CFEDMN CC(=NNC1=N[C@@H]2CCCC[C@@H]2N1)c1ccccc1Cl ZINC000753933997 574056242 /nfs/dbraw/zinc/05/62/42/574056242.db2.gz FFBBVLYMUYUSQD-OKILXGFUSA-N 0 1 290.798 2.924 20 30 CFEDMN Cc1[nH]c2ccccc2c1C=NNC1=N[C@@H]2CCCC[C@H]2N1 ZINC000753937764 574056458 /nfs/dbraw/zinc/05/64/58/574056458.db2.gz GIYXPWKNEYSFIT-HZPDHXFCSA-N 0 1 295.390 2.670 20 30 CFEDMN CC(=NNC1=N[C@@H]2CCCC[C@H]2N1)c1ccc(F)cc1F ZINC000753937093 574056573 /nfs/dbraw/zinc/05/65/73/574056573.db2.gz CDADJYXEAXHEJP-ZIAGYGMSSA-N 0 1 292.333 2.549 20 30 CFEDMN COc1ccccc1CC=CN=NC1=N[C@H]2CCCC[C@H]2N1 ZINC000753940309 574057035 /nfs/dbraw/zinc/05/70/35/574057035.db2.gz UCRYWKQNETVSOM-VPRHBYRRSA-N 0 1 298.390 2.554 20 30 CFEDMN CC[N@@H+](CCCCC#N)[C@@H](C)c1ccc(-c2nn[nH]n2)cc1 ZINC000736538490 574058472 /nfs/dbraw/zinc/05/84/72/574058472.db2.gz XITLHPMTHDHPSA-ZDUSSCGKSA-N 0 1 298.394 2.943 20 30 CFEDMN C[C@H]1CC(N=Nc2cccc(F)c2F)CN1C1CC1 ZINC000753960436 574059719 /nfs/dbraw/zinc/05/97/19/574059719.db2.gz RZFZJLWEEQLFRG-VIFPVBQESA-N 0 1 265.307 2.989 20 30 CFEDMN C[C@@H](C[N@@H+](CCCCC#N)Cc1ccccc1)C(=O)[O-] ZINC000736578229 574060962 /nfs/dbraw/zinc/06/09/62/574060962.db2.gz KIERZKFJBGBUPN-AWEZNQCLSA-N 0 1 274.364 2.903 20 30 CFEDMN C#CCN(CC#CC)CCCOCc1ccccc1 ZINC000754051192 574065896 /nfs/dbraw/zinc/06/58/96/574065896.db2.gz RXMDXUUCFSCZSX-UHFFFAOYSA-N 0 1 255.361 2.552 20 30 CFEDMN CC[C@@H](C)C[N@@H+](C)[C@H](C(=O)[O-])c1ccc(C#N)cc1 ZINC000736879210 574083777 /nfs/dbraw/zinc/08/37/77/574083777.db2.gz AYIVRJRGHQLDQR-RISCZKNCSA-N 0 1 260.337 2.662 20 30 CFEDMN CC(C)CON=C(N)c1ccc(N2CCCCC2)cc1 ZINC000754291413 574086988 /nfs/dbraw/zinc/08/69/88/574086988.db2.gz BOCLHTUDIIIPRH-UHFFFAOYSA-N 0 1 275.396 2.970 20 30 CFEDMN N#Cc1ccc(COC(=O)c2cccc3[nH]ncc32)cc1 ZINC000730696309 574092109 /nfs/dbraw/zinc/09/21/09/574092109.db2.gz GEZUWGMDACSUAV-UHFFFAOYSA-N 0 1 277.283 2.792 20 30 CFEDMN C=CC[N@H+](CCc1ccccc1)C[C@@H]1CCN(C(=O)[O-])C1 ZINC000738489435 574094034 /nfs/dbraw/zinc/09/40/34/574094034.db2.gz DSWOFVHJBFHJEX-INIZCTEOSA-N 0 1 288.391 2.717 20 30 CFEDMN C#Cc1cccc(N(C)C(=O)c2cc(-c3ccoc3)n[nH]2)c1 ZINC000728536625 574099647 /nfs/dbraw/zinc/09/96/47/574099647.db2.gz RBQJQVNXFXDNIM-UHFFFAOYSA-N 0 1 291.310 2.928 20 30 CFEDMN Fc1cc2nc(NN=Cc3cc[nH]c3)[nH]c2cc1F ZINC000745202362 574106605 /nfs/dbraw/zinc/10/66/05/574106605.db2.gz OEXBTXLTJSADEF-UHFFFAOYSA-N 0 1 261.235 2.615 20 30 CFEDMN CC(=NNc1nc2ccccc2[nH]1)c1cnc(C)nc1C ZINC000741454108 574117791 /nfs/dbraw/zinc/11/77/91/574117791.db2.gz XRRNOZYFHDAQDB-UHFFFAOYSA-N 0 1 280.335 2.806 20 30 CFEDMN CC(=NNc1ccccc1S(C)(=O)=O)c1ccco1 ZINC000731933552 574135386 /nfs/dbraw/zinc/13/53/86/574135386.db2.gz LQVINJCPXLQVSF-UHFFFAOYSA-N 0 1 278.333 2.519 20 30 CFEDMN Cc1cc(N=NCc2cnc(-c3ccccc3)nc2)ncn1 ZINC000731934949 574135860 /nfs/dbraw/zinc/13/58/60/574135860.db2.gz LGNNSYIFQUGSDF-UHFFFAOYSA-N 0 1 290.330 2.688 20 30 CFEDMN C[N@@H+](CC(C)(C)C)[C@H](C(=O)[O-])c1ccc(C#N)cc1 ZINC000737409845 574138859 /nfs/dbraw/zinc/13/88/59/574138859.db2.gz ZWIJMGZBABSZRL-ZDUSSCGKSA-N 0 1 260.337 2.662 20 30 CFEDMN Fc1cc(F)c(N=NCc2cnc3cnccn23)cc1F ZINC000746371446 574147543 /nfs/dbraw/zinc/14/75/43/574147543.db2.gz CXZIWZGZESYRCZ-UHFFFAOYSA-N 0 1 291.236 2.593 20 30 CFEDMN C#CCN(CC)Cc1cc2c(c(Cl)c1)OCO2 ZINC000746456885 574149722 /nfs/dbraw/zinc/14/97/22/574149722.db2.gz PWHQJHWHRFDGDB-UHFFFAOYSA-N 0 1 251.713 2.524 20 30 CFEDMN CCn1cc(C=NN=c2[nH]c3cc(F)c(F)cc3[nH]2)cn1 ZINC000732528525 574159812 /nfs/dbraw/zinc/15/98/12/574159812.db2.gz NSWUYTNIABJDQR-UHFFFAOYSA-N 0 1 290.277 2.504 20 30 CFEDMN COc1cc([N+](=O)[O-])ccc1N=NCc1cccc(C#N)c1 ZINC000746681664 574162828 /nfs/dbraw/zinc/16/28/28/574162828.db2.gz NFSCCPVUSSDLCP-UHFFFAOYSA-N 0 1 296.286 2.921 20 30 CFEDMN COc1cc([N+](=O)[O-])ccc1N=NC(C)c1cccnc1 ZINC000746680591 574162835 /nfs/dbraw/zinc/16/28/35/574162835.db2.gz YLASQGUJOCRLFW-UHFFFAOYSA-N 0 1 286.291 2.835 20 30 CFEDMN COc1ccc(CNCc2cc(C#N)cs2)cc1C#N ZINC000746739875 574165149 /nfs/dbraw/zinc/16/51/49/574165149.db2.gz AUDOKBWGVBNVMQ-UHFFFAOYSA-N 0 1 283.356 2.790 20 30 CFEDMN CCc1nn(C)c(CC)c1C=NNc1nc2ccccc2[nH]1 ZINC000755488467 574165328 /nfs/dbraw/zinc/16/53/28/574165328.db2.gz LWDPPOSCMDBISF-UHFFFAOYSA-N 0 1 296.378 2.867 20 30 CFEDMN COc1ccsc1CNCc1ccc(OC)c(C#N)c1 ZINC000746739989 574165365 /nfs/dbraw/zinc/16/53/65/574165365.db2.gz BVUVVSCHVYMAHE-UHFFFAOYSA-N 0 1 288.372 2.927 20 30 CFEDMN c1ncc(CN=Nc2nc(-c3ccccc3)cs2)[nH]1 ZINC000755594294 574170284 /nfs/dbraw/zinc/17/02/84/574170284.db2.gz SECMGXBQKAFCRW-UHFFFAOYSA-N 0 1 269.333 2.979 20 30 CFEDMN C=CC[N@@H+](Cc1cccc(C#N)c1)C[C@@H]1CCN(C(=O)[O-])C1 ZINC000738490266 574171657 /nfs/dbraw/zinc/17/16/57/574171657.db2.gz PJNYYFQMKKIEOT-INIZCTEOSA-N 0 1 299.374 2.546 20 30 CFEDMN Cc1cccc(C)c1C=NNCCN1CCCCC1 ZINC000755656795 574175598 /nfs/dbraw/zinc/17/55/98/574175598.db2.gz KTSFKVOSNADWLE-UHFFFAOYSA-N 0 1 259.397 2.713 20 30 CFEDMN Cc1nc[nH]c1C=NNc1cc(F)c(F)c(F)c1 ZINC000755755327 574184902 /nfs/dbraw/zinc/18/49/02/574184902.db2.gz KDZDMIDNRLAKDQ-UHFFFAOYSA-N 0 1 254.215 2.581 20 30 CFEDMN C#CCN1CCC[C@H]1COC(=O)c1ccc(C)cc1Cl ZINC000755780257 574187315 /nfs/dbraw/zinc/18/73/15/574187315.db2.gz PWPYZOWTEDQTQP-ZDUSSCGKSA-N 0 1 291.778 2.903 20 30 CFEDMN CC(=O)CCCC(=O)[C@H](C#N)c1nc2cccc(C)c2[nH]1 ZINC000755786182 574187702 /nfs/dbraw/zinc/18/77/02/574187702.db2.gz NJARLVDUGXWZPP-LBPRGKRZSA-N 0 1 283.331 2.807 20 30 CFEDMN CN(CCC#N)c1ccc(C=NO[C@H]2CCCCO2)cc1 ZINC000755817597 574189682 /nfs/dbraw/zinc/18/96/82/574189682.db2.gz MYYMFPMOJXHBMK-INIZCTEOSA-N 0 1 287.363 2.914 20 30 CFEDMN Cc1ccnc(NN=C2COc3ccc(F)cc32)c1 ZINC000755900058 574195479 /nfs/dbraw/zinc/19/54/79/574195479.db2.gz JPSPUBQCQDYFID-UHFFFAOYSA-N 0 1 257.268 2.738 20 30 CFEDMN CCOc1ccc(CN=Nc2cc(C)ccn2)c(O)c1 ZINC000755904459 574196120 /nfs/dbraw/zinc/19/61/20/574196120.db2.gz BXFAKXLJCQISFT-UHFFFAOYSA-N 0 1 271.320 2.940 20 30 CFEDMN COC(=O)c1ccc(CN=Nc2cc(C)ccn2)cc1 ZINC000755905389 574196256 /nfs/dbraw/zinc/19/62/56/574196256.db2.gz IGVYNNQDGXJVMQ-UHFFFAOYSA-N 0 1 269.304 2.623 20 30 CFEDMN Cc1ccnc(NN=C2CCOc3ccccc32)c1 ZINC000755907106 574196594 /nfs/dbraw/zinc/19/65/94/574196594.db2.gz TUDWFZGBCMVWSZ-UHFFFAOYSA-N 0 1 253.305 2.989 20 30 CFEDMN CCCCCNC(=O)C(C#N)C(=O)[C@H]1CC12CCCC2 ZINC000747477548 574197329 /nfs/dbraw/zinc/19/73/29/574197329.db2.gz BKNPTNQGZMCVGY-QWHCGFSZSA-N 0 1 276.380 2.582 20 30 CFEDMN Cc1cc(C(C#N)C(=O)[C@@H]2CC23CCCC3)nc(C)n1 ZINC000747480021 574197533 /nfs/dbraw/zinc/19/75/33/574197533.db2.gz QIVNLTVGDBIRKG-STQMWFEESA-N 0 1 269.348 2.850 20 30 CFEDMN C=CCNC(=S)NC[C@@H](c1ccc(Cl)cc1)N(C)C ZINC000747658761 574205109 /nfs/dbraw/zinc/20/51/09/574205109.db2.gz FRVNRJZQPZPLDV-ZDUSSCGKSA-N 0 1 297.855 2.593 20 30 CFEDMN C#CCCCNCc1cn(-c2ccc(F)cc2Cl)nn1 ZINC000756034260 574205608 /nfs/dbraw/zinc/20/56/08/574205608.db2.gz ACGPQKDRKUMXGZ-UHFFFAOYSA-N 0 1 292.745 2.563 20 30 CFEDMN C[C@H]1CC(=NNCCN2CCCCC2)C[C@@H](C)C1 ZINC000747752668 574210284 /nfs/dbraw/zinc/21/02/84/574210284.db2.gz ACUUSDZTFFRKND-OKILXGFUSA-N 0 1 251.418 2.874 20 30 CFEDMN Cc1ccc(C=NN=c2cc[nH]c(N(C)C)n2)cc1C ZINC000739418425 574213016 /nfs/dbraw/zinc/21/30/16/574213016.db2.gz RVUPOKRXWQEKSP-UHFFFAOYSA-N 0 1 269.352 2.605 20 30 CFEDMN C=CCN(CC1CCCCC1)CN1C[C@@H](C)CC1=O ZINC000733296584 574218936 /nfs/dbraw/zinc/21/89/36/574218936.db2.gz PGIBDRSRBJLMPG-AWEZNQCLSA-N 0 1 264.413 2.881 20 30 CFEDMN C#CCOc1ccc(CNCc2cccc([N+](=O)[O-])c2)cc1 ZINC000733326048 574221806 /nfs/dbraw/zinc/22/18/06/574221806.db2.gz GEXUMWMDHUIZPW-UHFFFAOYSA-N 0 1 296.326 2.897 20 30 CFEDMN C#CCN1CCC[C@H]1COC(=O)C[C@@H](CC)C(C)C ZINC000729812357 574232579 /nfs/dbraw/zinc/23/25/79/574232579.db2.gz SWJBEBBWBZTRHF-CABCVRRESA-N 0 1 265.397 2.700 20 30 CFEDMN C#CCN1CCC[C@@H]1COC(=O)c1ccc(Cl)cc1 ZINC000729810365 574232969 /nfs/dbraw/zinc/23/29/69/574232969.db2.gz VUHRBIKPGWVZBT-CQSZACIVSA-N 0 1 277.751 2.594 20 30 CFEDMN Cc1ccc(NN=Cc2c(Cl)n(C)nc2C(C)C)nn1 ZINC000729938506 574239069 /nfs/dbraw/zinc/23/90/69/574239069.db2.gz ZHEXTEUJWVJYSQ-UHFFFAOYSA-N 0 1 292.774 2.741 20 30 CFEDMN C#CCN1CCC[C@@H]1COC(=O)CCCCCC ZINC000756542053 574244989 /nfs/dbraw/zinc/24/49/89/574244989.db2.gz FDEWUGJAFNCMSN-CQSZACIVSA-N 0 1 251.370 2.598 20 30 CFEDMN C#CCN1CCC[C@@H]1COC(=O)C1(c2ccccc2)CCC1 ZINC000756550571 574246134 /nfs/dbraw/zinc/24/61/34/574246134.db2.gz LLOZQTQZZDXPBK-QGZVFWFLSA-N 0 1 297.398 2.749 20 30 CFEDMN C#CCN1CCC[C@H]1COC(=O)C1(c2ccccc2)CCC1 ZINC000756550568 574246397 /nfs/dbraw/zinc/24/63/97/574246397.db2.gz LLOZQTQZZDXPBK-KRWDZBQOSA-N 0 1 297.398 2.749 20 30 CFEDMN C#CCN1CCC[C@@H]1COC(=O)CCC1CCCC1 ZINC000756549109 574246535 /nfs/dbraw/zinc/24/65/35/574246535.db2.gz FIHRUWCKNZVDKU-OAHLLOKOSA-N 0 1 263.381 2.598 20 30 CFEDMN C#CCN1CCC[C@H]1COC(=O)c1ccccc1CC ZINC000756556184 574247124 /nfs/dbraw/zinc/24/71/24/574247124.db2.gz SKSROGLJEQBRKS-HNNXBMFYSA-N 0 1 271.360 2.503 20 30 CFEDMN Cc1nn(C)cc1C(C)N=Nc1cnnc2ccccc12 ZINC000733750332 574255155 /nfs/dbraw/zinc/25/51/55/574255155.db2.gz UVVJUCOOLNOELD-UHFFFAOYSA-N 0 1 280.335 2.508 20 30 CFEDMN N#Cc1ccc(C=NNc2ccccc2[N+](=O)[O-])s1 ZINC000748779028 574266122 /nfs/dbraw/zinc/26/61/22/574266122.db2.gz RHEYTBHYEUOXCB-UHFFFAOYSA-N 0 1 272.289 2.974 20 30 CFEDMN Clc1cnccc1N=NCc1c[nH]c(-c2ccccc2)n1 ZINC000756839190 574266975 /nfs/dbraw/zinc/26/69/75/574266975.db2.gz PJKFLSCGDMGQFR-UHFFFAOYSA-N 0 1 297.749 2.993 20 30 CFEDMN C#CCN(CC(=O)NCCCCCC)C1CCCC1 ZINC000756911439 574272701 /nfs/dbraw/zinc/27/27/01/574272701.db2.gz PJZYEKWPTHXCDS-UHFFFAOYSA-N 0 1 264.413 2.561 20 30 CFEDMN C#CCN(CC(=O)N[C@@H](C)CCCCC)C1CCCC1 ZINC000756910799 574272734 /nfs/dbraw/zinc/27/27/34/574272734.db2.gz CAPLTYJLLZWUKM-HNNXBMFYSA-N 0 1 278.440 2.949 20 30 CFEDMN C#CCN(CC(=O)N(C)[C@H](C)CC(C)C)C1CCCC1 ZINC000756911820 574272882 /nfs/dbraw/zinc/27/28/82/574272882.db2.gz HPLZQTDRTAQDBN-OAHLLOKOSA-N 0 1 278.440 2.757 20 30 CFEDMN C[C@@H](C(=O)OCc1ccc(C#N)cc1)N1[C@H](C)CC[C@@H]1C ZINC000741015908 574277639 /nfs/dbraw/zinc/27/76/39/574277639.db2.gz FGMISYDJYJPKTJ-MJBXVCDLSA-N 0 1 286.375 2.863 20 30 CFEDMN Cc1n[nH]cc1CN=Nc1cc(F)c(F)cc1F ZINC000734301911 574280753 /nfs/dbraw/zinc/28/07/53/574280753.db2.gz UMWSFGFEDFMJLG-UHFFFAOYSA-N 0 1 254.215 2.581 20 30 CFEDMN C#CC[N@H+](CC)Cc1ccc(OCC)c(OCC)c1 ZINC000749193133 574283732 /nfs/dbraw/zinc/28/37/32/574283732.db2.gz AMIUGNXTEGTBBT-UHFFFAOYSA-N 0 1 261.365 2.939 20 30 CFEDMN C#CCN(CC)Cc1ccc(OCC)c(OCC)c1 ZINC000749193133 574283733 /nfs/dbraw/zinc/28/37/33/574283733.db2.gz AMIUGNXTEGTBBT-UHFFFAOYSA-N 0 1 261.365 2.939 20 30 CFEDMN Fc1ccc2oc(C=NNCCN3CCCCC3)cc2c1 ZINC000741761002 574301636 /nfs/dbraw/zinc/30/16/36/574301636.db2.gz HGBXXHSELDGZAJ-UHFFFAOYSA-N 0 1 289.354 2.981 20 30 CFEDMN C=CCN(CC(=O)Nc1cc(C(C)(C)C)nn1C)C(C)C ZINC000741778093 574302738 /nfs/dbraw/zinc/30/27/38/574302738.db2.gz UTNFTRPIVCWNPH-UHFFFAOYSA-N 0 1 292.427 2.553 20 30 CFEDMN C[C@@H](C(=O)C(C#N)C(=O)NC1CCCCC1)c1ccco1 ZINC000744026902 574312361 /nfs/dbraw/zinc/31/23/61/574312361.db2.gz BAMNJEOBPYYDSU-YPMHNXCESA-N 0 1 288.347 2.541 20 30 CFEDMN C#CCOc1ccccc1CNCc1cnn(CCC)c1 ZINC000735084892 574312694 /nfs/dbraw/zinc/31/26/94/574312694.db2.gz WOCJQZLAWIHWHP-UHFFFAOYSA-N 0 1 283.375 2.595 20 30 CFEDMN C=CCN(Cn1nc(C)c2cc([N+](=O)[O-])cnc21)C(C)C ZINC000749946222 574317061 /nfs/dbraw/zinc/31/70/61/574317061.db2.gz RVHIJNYVVYGPOH-UHFFFAOYSA-N 0 1 289.339 2.502 20 30 CFEDMN C=CCC[N@@H+](Cc1ccc(-c2nn[nH]n2)cc1)CC(C)C ZINC000735413335 574322661 /nfs/dbraw/zinc/32/26/61/574322661.db2.gz RXWRCAANALUTLB-UHFFFAOYSA-N 0 1 285.395 2.901 20 30 CFEDMN Cc1ccc(C=Nn2c(=O)c3ccccc3[nH]c2=S)cc1 ZINC000725859071 574335418 /nfs/dbraw/zinc/33/54/18/574335418.db2.gz PNNYNAJDAWJEEZ-UHFFFAOYSA-N 0 1 295.367 2.876 20 30 CFEDMN CC(C)c1nc(-c2nn[nH]n2)c(N=NC2CCC[C@H]2C)o1 ZINC000736259574 574358352 /nfs/dbraw/zinc/35/83/52/574358352.db2.gz FHGBQVVZVQQGBU-MRVPVSSYSA-N 0 1 289.343 2.566 20 30 CFEDMN C[C@H]1CN(C2CC2)CC1N=Nc1cccc(F)c1F ZINC000755891652 574361988 /nfs/dbraw/zinc/36/19/88/574361988.db2.gz JPJQFJVXVLQOMG-VIFPVBQESA-N 0 1 265.307 2.847 20 30 CFEDMN N#Cc1cccc(NN=Cc2cc(-c3cccnc3)[nH]n2)c1 ZINC000743434001 574364041 /nfs/dbraw/zinc/36/40/41/574364041.db2.gz IWTMDGUYXKCVEQ-UHFFFAOYSA-N 0 1 288.314 2.789 20 30 CFEDMN COc1ccc(NN=Cc2cc(-c3cccnc3)[nH]n2)cc1 ZINC000750946385 574365341 /nfs/dbraw/zinc/36/53/41/574365341.db2.gz QIUHADIQYJHIMT-UHFFFAOYSA-N 0 1 293.330 2.926 20 30 CFEDMN CCOc1cccc(C(C)=NNCCN2CCCCC2)c1 ZINC000743531221 574368074 /nfs/dbraw/zinc/36/80/74/574368074.db2.gz LEALTGMNIDQFDJ-UHFFFAOYSA-N 0 1 289.423 2.885 20 30 CFEDMN COC[C@@H]1CCCN1Cc1cc(Cl)ccc1OCC#N ZINC000752087517 574387878 /nfs/dbraw/zinc/38/78/78/574387878.db2.gz DMYICSNZOBGZGB-AWEZNQCLSA-N 0 1 294.782 2.853 20 30 CFEDMN CCC(C)(C)[NH2+][C@H](C)C(=O)N([O-])Cc1ccc(F)cc1 ZINC000900094470 620637236 /nfs/dbraw/zinc/63/72/36/620637236.db2.gz MVNYKOBYNXEENV-LLVKDONJSA-N 0 1 282.359 2.710 20 30 CFEDMN C[N@@H+](Cc1ccc(C#N)cc1)Cc1cccc(C(=O)[O-])c1 ZINC000820602102 598210588 /nfs/dbraw/zinc/21/05/88/598210588.db2.gz FUTDVBSZDPOAII-UHFFFAOYSA-N 0 1 280.327 2.888 20 30 CFEDMN N#Cc1cc(F)ccc1C[N@@H+]1CCCC[C@@H]1CC(=O)[O-] ZINC000071263924 599961898 /nfs/dbraw/zinc/96/18/98/599961898.db2.gz LXOCPMQJTIDIQO-CQSZACIVSA-N 0 1 276.311 2.527 20 30 CFEDMN CC(C)(C#N)CCC[N@H+]1Cc2ccccc2C[C@H]1C(=O)[O-] ZINC000087600052 601112412 /nfs/dbraw/zinc/11/24/12/601112412.db2.gz SRHOUMVYXSVUHS-HNNXBMFYSA-N 0 1 286.375 2.828 20 30 CFEDMN C=CC[N@H+](C/C=C(/C)C(=O)[O-])Cc1cccc(C#N)c1 ZINC000825682212 601159719 /nfs/dbraw/zinc/15/97/19/601159719.db2.gz TZZVIDKQTOKNLK-QPEQYQDCSA-N 0 1 270.332 2.577 20 30 CFEDMN C[C@@H]1CCC[N@H+]([C@H](C(=O)[O-])c2cccc(C#N)c2)CC1 ZINC000828265577 601314933 /nfs/dbraw/zinc/31/49/33/601314933.db2.gz CYXIMNCFVNDMSO-DOMZBBRYSA-N 0 1 272.348 2.806 20 30 CFEDMN N#C[C@@H](c1ccccc1)[C@H]1CCC[N@@H+]1CCCC(=O)[O-] ZINC000821320787 601429268 /nfs/dbraw/zinc/42/92/68/601429268.db2.gz YNUXDPVYVOLMNW-LSDHHAIUSA-N 0 1 272.348 2.623 20 30 CFEDMN CCCCCCCC[N@H+]1CCO[C@@H](CC(=O)[O-])C1 ZINC000118018176 601459903 /nfs/dbraw/zinc/45/99/03/601459903.db2.gz LNZOLHVBAYHSRU-ZDUSSCGKSA-N 0 1 257.374 2.522 20 30 CFEDMN C=CC1(CC(=O)N2CCC3(CN(C)C3)C2)CCCCC1 ZINC000935667625 649927845 /nfs/dbraw/zinc/92/78/45/649927845.db2.gz WTRLMOODBPHRMX-UHFFFAOYSA-N 0 1 276.424 2.677 20 30 CFEDMN C[N@@H+](Cc1ccc(F)c(C#N)c1)[C@H](C(=O)[O-])c1ccccc1 ZINC000830825205 602237033 /nfs/dbraw/zinc/23/70/33/602237033.db2.gz HNCVTYIMYVRWSY-INIZCTEOSA-N 0 1 298.317 2.955 20 30 CFEDMN CC(C)CC[N@@H+](CCC#N)CC1CCN(C(=O)[O-])CC1 ZINC000824238132 603567168 /nfs/dbraw/zinc/56/71/68/603567168.db2.gz ALIIISREAJUNDJ-UHFFFAOYSA-N 0 1 281.400 2.638 20 30 CFEDMN CC(C)C[N@@H+](CCC(=O)[O-])CC(C)(C)CCC#N ZINC000833486555 604577619 /nfs/dbraw/zinc/57/76/19/604577619.db2.gz MDGAZFUHFXCPJR-UHFFFAOYSA-N 0 1 254.374 2.749 20 30 CFEDMN CC(C)C[N@@H+](CCC(=O)[O-])Cc1cc(C#N)cs1 ZINC000833486978 604578733 /nfs/dbraw/zinc/57/87/33/604578733.db2.gz XOTRQRCKQCMWAW-UHFFFAOYSA-N 0 1 266.366 2.552 20 30 CFEDMN CC(C)[C@@H](C)[N@@H+](C)Cc1cccc(C(=O)[O-])c1C#N ZINC000833469367 604601500 /nfs/dbraw/zinc/60/15/00/604601500.db2.gz VZEQXAJNFGTHRE-LLVKDONJSA-N 0 1 260.337 2.733 20 30 CFEDMN C[C@H]1CCCC[N@H+]1Cc1cccc(C(=O)[O-])c1C#N ZINC000833615584 604602207 /nfs/dbraw/zinc/60/22/07/604602207.db2.gz OTZSFSXFYJTZTM-NSHDSACASA-N 0 1 258.321 2.631 20 30 CFEDMN CC(C)C[N@@H+](Cc1cccc(C(=O)[O-])c1C#N)C1CC1 ZINC000833487154 604604415 /nfs/dbraw/zinc/60/44/15/604604415.db2.gz AWWBBICTYFTXNL-UHFFFAOYSA-N 0 1 272.348 2.877 20 30 CFEDMN C=CCCC[N@H+](C)Cc1ccc(O[C@@H](C)C(=O)[O-])cc1 ZINC000833373856 604657611 /nfs/dbraw/zinc/65/76/11/604657611.db2.gz GPWKSSDEPJUSEI-ZDUSSCGKSA-N 0 1 277.364 2.937 20 30 CFEDMN C=CCOc1ccccc1C[N@@H+]1CCC[C@@H]1CC(=O)[O-] ZINC000833378519 604660698 /nfs/dbraw/zinc/66/06/98/604660698.db2.gz IMXVNGDGNQIADH-CQSZACIVSA-N 0 1 275.348 2.691 20 30 CFEDMN C=CCOc1ccc(C[N@H+](CC(=O)[O-])C2CC2)cc1Cl ZINC000833378112 604756607 /nfs/dbraw/zinc/75/66/07/604756607.db2.gz XKOUSNRSEVGQMF-UHFFFAOYSA-N 0 1 295.766 2.954 20 30 CFEDMN C=C(Br)C[N@@H+]1CCC[C@H](C(C)(C)C(=O)[O-])C1 ZINC000135032042 604951712 /nfs/dbraw/zinc/95/17/12/604951712.db2.gz WPLVHEOVKJVTMB-JTQLQIEISA-N 0 1 290.201 2.718 20 30 CFEDMN CC(C)(C#N)CC[N@H+]1CCc2ccc(C(=O)[O-])cc2C1 ZINC000212076915 605191162 /nfs/dbraw/zinc/19/11/62/605191162.db2.gz LUMLCVTXUMQGEW-UHFFFAOYSA-N 0 1 272.348 2.683 20 30 CFEDMN C[C@@]1(C#N)CCC[N@@H+]([C@H](C(=O)[O-])c2ccc(F)cc2)C1 ZINC000833551122 605419068 /nfs/dbraw/zinc/41/90/68/605419068.db2.gz GURLRNFKXMQGMX-ZFWWWQNUSA-N 0 1 276.311 2.577 20 30 CFEDMN C[C@@]1(C#N)CCC[N@H+]([C@H](C(=O)[O-])c2ccc(F)cc2)C1 ZINC000833551122 605419072 /nfs/dbraw/zinc/41/90/72/605419072.db2.gz GURLRNFKXMQGMX-ZFWWWQNUSA-N 0 1 276.311 2.577 20 30 CFEDMN C=CCOc1cccc(C[N@H+](C[C@@H](C)C(=O)[O-])C2CC2)c1 ZINC000833378308 605750743 /nfs/dbraw/zinc/75/07/43/605750743.db2.gz DFCPHLUIMYFAOR-CYBMUJFWSA-N 0 1 289.375 2.937 20 30 CFEDMN C[C@H](c1ccc(C#N)cc1)[N@H+]1C[C@@H](CNC(=O)[O-])C[C@H]1C ZINC000833830501 605892970 /nfs/dbraw/zinc/89/29/70/605892970.db2.gz KAXVDIXMPQBUSS-YRGRVCCFSA-N 0 1 287.363 2.597 20 30 CFEDMN Cc1nc(C)c(C(=O)N(CCC#N)c2ccc(F)cc2)[nH]1 ZINC000900630221 620697196 /nfs/dbraw/zinc/69/71/96/620697196.db2.gz IOJAHNBWBMEOCI-UHFFFAOYSA-N 0 1 286.310 2.726 20 30 CFEDMN C#CCCN1C[C@@H](NC(=O)c2sccc2C)C(C)(C)C1 ZINC000972757977 613033487 /nfs/dbraw/zinc/03/34/87/613033487.db2.gz HCCMRNXYVRYDGA-CYBMUJFWSA-N 0 1 290.432 2.520 20 30 CFEDMN C#CCN(C)[C@@H]1CCN(C(=O)c2cccc(C(C)(C)C)c2)C1 ZINC000972577260 613086301 /nfs/dbraw/zinc/08/63/01/613086301.db2.gz BOQKSCFCHBLFLR-QGZVFWFLSA-N 0 1 298.430 2.764 20 30 CFEDMN C#CCN(C)[C@H]1CCN(C(=O)C2(C3CCCCC3)CC2)C1 ZINC000980274065 613088942 /nfs/dbraw/zinc/08/89/42/613088942.db2.gz GUCBTDGMJYVCNZ-INIZCTEOSA-N 0 1 288.435 2.513 20 30 CFEDMN C#CCN(C)[C@H]1CCN(C(=O)[C@H]2CC[C@H](C(C)C)CC2)C1 ZINC000972616626 613091902 /nfs/dbraw/zinc/09/19/02/613091902.db2.gz ZYNYZGKKJIGVIQ-ULQDDVLXSA-N 0 1 290.451 2.615 20 30 CFEDMN C#CCN(C)[C@H]1CCN(C(=O)c2cc(C)ccc2C2CC2)C1 ZINC000972006902 613094058 /nfs/dbraw/zinc/09/40/58/613094058.db2.gz VYFIWKOBHOZFMD-INIZCTEOSA-N 0 1 296.414 2.652 20 30 CFEDMN C#CCN1CCCC2(CN(C(=O)C(CC)(CC)CC)C2)C1 ZINC000982088599 613139827 /nfs/dbraw/zinc/13/98/27/613139827.db2.gz NDAAXKQRJOMPMC-UHFFFAOYSA-N 0 1 290.451 2.760 20 30 CFEDMN C#CCN1CCCCC[C@@H]1CNC(=O)c1c(C)coc1C ZINC000968843381 613145972 /nfs/dbraw/zinc/14/59/72/613145972.db2.gz RKTXUDDAACQYJS-OAHLLOKOSA-N 0 1 288.391 2.504 20 30 CFEDMN C#CCN1CCCCC[C@@H]1CNC(=O)[C@@H]1C[C@H]1C(C)(C)C ZINC000968946792 613146125 /nfs/dbraw/zinc/14/61/25/613146125.db2.gz HZLDVXSOWUJMEL-BZUAXINKSA-N 0 1 290.451 2.663 20 30 CFEDMN C#CCN1CCCCC[C@@H]1CNC(=O)c1c(C)cccc1C ZINC000969039968 613146373 /nfs/dbraw/zinc/14/63/73/613146373.db2.gz VTGQAMYHHDJQBT-QGZVFWFLSA-N 0 1 298.430 2.911 20 30 CFEDMN C#CCN1CCCCC[C@H]1CNC(=O)C1CCC(F)CC1 ZINC000969014344 613148294 /nfs/dbraw/zinc/14/82/94/613148294.db2.gz YGYVKAJYEVWPMZ-GPANFISMSA-N 0 1 294.414 2.509 20 30 CFEDMN C#CCN1CCCCC[C@H]1CNC(=O)C1CCC=CCC1 ZINC000969144920 613148475 /nfs/dbraw/zinc/14/84/75/613148475.db2.gz WURFASFCXIGLBJ-KRWDZBQOSA-N 0 1 288.435 2.727 20 30 CFEDMN C#CCN1CCCCC[C@H]1CNC(=O)c1cc(C)cc(C)c1 ZINC000969126442 613149001 /nfs/dbraw/zinc/14/90/01/613149001.db2.gz CBHYBCAXXHILNE-SFHVURJKSA-N 0 1 298.430 2.911 20 30 CFEDMN C#CCN1CC[C@@H](NC(=O)C(F)=C2CCCC2)C(C)(C)C1 ZINC000940672033 613222967 /nfs/dbraw/zinc/22/29/67/613222967.db2.gz GFJRWCOAPVPCQO-CQSZACIVSA-N 0 1 292.398 2.634 20 30 CFEDMN C#CCN1CC[C@@H](NC(=O)[C@H]2CC[C@H](C)CC2)C(C)(C)C1 ZINC000941172898 613229203 /nfs/dbraw/zinc/22/92/03/613229203.db2.gz LNGXYINMINCRMZ-BZUAXINKSA-N 0 1 290.451 2.663 20 30 CFEDMN C=C(C)C(C)(C)C(=O)N1CCN(C[C@@H](C)CC)CC1 ZINC000949627630 613241052 /nfs/dbraw/zinc/24/10/52/613241052.db2.gz KWCPPPQVFPGIGJ-AWEZNQCLSA-N 0 1 266.429 2.779 20 30 CFEDMN C=C(C)CCN1CC(N(CC)C(=O)[C@@H]2CC2(C)C)C1 ZINC000949912818 613244986 /nfs/dbraw/zinc/24/49/86/613244986.db2.gz JAHCOQSNSWNPBO-AWEZNQCLSA-N 0 1 264.413 2.531 20 30 CFEDMN C#CCN1CC[C@@H](NC(=O)c2sccc2CC)C[C@H]1C ZINC000948067627 613245285 /nfs/dbraw/zinc/24/52/85/613245285.db2.gz XVAQRKIHJZXLSU-TZMCWYRMSA-N 0 1 290.432 2.526 20 30 CFEDMN C=C(C)CCN1CC(N(CC)C(=O)c2ccc(F)cc2)C1 ZINC000949572178 613246089 /nfs/dbraw/zinc/24/60/89/613246089.db2.gz AILZASAYICTAFM-UHFFFAOYSA-N 0 1 290.382 2.938 20 30 CFEDMN C#CCN1CC[C@H](NC(=O)C2(F)CCCCC2)C(C)(C)C1 ZINC000941145823 613256922 /nfs/dbraw/zinc/25/69/22/613256922.db2.gz VBHBBDHWWZTBQP-AWEZNQCLSA-N 0 1 294.414 2.509 20 30 CFEDMN C=C(C)CCN1CCN(C(=O)[C@@H](C)c2ccccc2)CC1 ZINC000957361429 613258332 /nfs/dbraw/zinc/25/83/32/613258332.db2.gz UNJFJSQMOAZCMR-INIZCTEOSA-N 0 1 286.419 2.901 20 30 CFEDMN C=C(C)CCN1CCN(C(=O)c2cccc3c2CCC3)CC1 ZINC000957870759 613261919 /nfs/dbraw/zinc/26/19/19/613261919.db2.gz QIXJGNHBSPUNHH-UHFFFAOYSA-N 0 1 298.430 2.899 20 30 CFEDMN C#CCN1CC[C@H](NC(=O)c2cc(C)c(C)s2)C[C@@H]1C ZINC000948011706 613265768 /nfs/dbraw/zinc/26/57/68/613265768.db2.gz KESIBDHKMKKNLS-JSGCOSHPSA-N 0 1 290.432 2.581 20 30 CFEDMN C#CCN1CC[C@H](NC(=O)c2ccc(C=C)cc2)C(C)(C)C1 ZINC000941052599 613268366 /nfs/dbraw/zinc/26/83/66/613268366.db2.gz SJZFFSUDBCCIIM-KRWDZBQOSA-N 0 1 296.414 2.793 20 30 CFEDMN C#CCN1CC[C@H](NC(=O)c2ccc(CC)s2)C[C@H]1C ZINC000947516787 613268744 /nfs/dbraw/zinc/26/87/44/613268744.db2.gz XJQMARDTMZUOPO-OLZOCXBDSA-N 0 1 290.432 2.526 20 30 CFEDMN C#CCN1CC[C@H](NC(=O)c2ccsc2C)C(C)(C)C1 ZINC000940725709 613273949 /nfs/dbraw/zinc/27/39/49/613273949.db2.gz FQWZEIVBIVEVKK-AWEZNQCLSA-N 0 1 290.432 2.520 20 30 CFEDMN C#CCN1C[C@@H](NC(=O)CC2CCCCCC2)C(C)(C)C1 ZINC000975090331 613280563 /nfs/dbraw/zinc/28/05/63/613280563.db2.gz FCFOXPVNXNABDB-MRXNPFEDSA-N 0 1 290.451 2.807 20 30 CFEDMN C#CCN1C[C@@H](NC(=O)[C@@H](C)c2ccccc2C)C(C)(C)C1 ZINC000977608818 613281139 /nfs/dbraw/zinc/28/11/39/613281139.db2.gz ADKUVNBGYWFJAF-DOTOQJQBSA-N 0 1 298.430 2.558 20 30 CFEDMN C=C(C)CN1CC([C@@H](C)NC(=O)c2cc(C)c(C)o2)C1 ZINC000969503423 613300056 /nfs/dbraw/zinc/30/00/56/613300056.db2.gz QWKXTKVYDRFCJV-GFCCVEGCSA-N 0 1 276.380 2.523 20 30 CFEDMN C=C(C)CN1CC([C@@H](C)NC(=O)c2cccc(F)c2F)C1 ZINC000970339093 613300453 /nfs/dbraw/zinc/30/04/53/613300453.db2.gz LVDGHIVEEDSMQO-LLVKDONJSA-N 0 1 294.345 2.591 20 30 CFEDMN C=C(C)CN1CCCN(C(=O)[C@@H]2CCC[C@H]3C[C@H]32)CC1 ZINC000981490676 613309603 /nfs/dbraw/zinc/30/96/03/613309603.db2.gz MGABSBCZYDSTGE-ARFHVFGLSA-N 0 1 276.424 2.533 20 30 CFEDMN C=C(C)CN1CCCN(C(=O)[C@@H]2C[C@]2(C)C(C)C)CC1 ZINC000983431142 613310091 /nfs/dbraw/zinc/31/00/91/613310091.db2.gz VIJUVMFURDXAJJ-DOTOQJQBSA-N 0 1 278.440 2.779 20 30 CFEDMN C=C(C)CN1CCCN(C(=O)[C@H]2CCC[C@@H](C)C2)CC1 ZINC000981844376 613311021 /nfs/dbraw/zinc/31/10/21/613311021.db2.gz CUFCYQJWAKSLPD-CVEARBPZSA-N 0 1 278.440 2.923 20 30 CFEDMN C=C(C)CN1CCCN(C(=O)c2ccc(F)c(F)c2)CC1 ZINC000981337260 613311663 /nfs/dbraw/zinc/31/16/63/613311663.db2.gz KWWLSWFKKZKUCL-UHFFFAOYSA-N 0 1 294.345 2.689 20 30 CFEDMN C=C(C)CN1CCCN(C(=O)c2csc(C)c2)CC1 ZINC000982213202 613313121 /nfs/dbraw/zinc/31/31/21/613313121.db2.gz VRMFNXXGINLWCK-UHFFFAOYSA-N 0 1 278.421 2.781 20 30 CFEDMN C=C(C)CN1CCCN(C(=O)c2coc(C(F)F)c2)CC1 ZINC000981828735 613313261 /nfs/dbraw/zinc/31/32/61/613313261.db2.gz ZJANUCSAVRVQDJ-UHFFFAOYSA-N 0 1 298.333 2.941 20 30 CFEDMN C=C(C)CN1CC[C@@H](C)[C@@H](NC(=O)C2(F)CCCC2)C1 ZINC000967033424 613323943 /nfs/dbraw/zinc/32/39/43/613323943.db2.gz OYJKMKMEJVRJSI-KGLIPLIRSA-N 0 1 282.403 2.671 20 30 CFEDMN C=C(C)CN1CC[C@@H](C)[C@@H](NC(=O)c2sccc2F)C1 ZINC000965996364 613324676 /nfs/dbraw/zinc/32/46/76/613324676.db2.gz QACINAHEFOIGQH-YPMHNXCESA-N 0 1 296.411 2.904 20 30 CFEDMN C=C(C)CN1CC[C@H](C)[C@@H](NC(=O)c2cc(C)oc2C)C1 ZINC000964931355 613332705 /nfs/dbraw/zinc/33/27/05/613332705.db2.gz DGHFAKJLGOBAAD-LRDDRELGSA-N 0 1 290.407 2.913 20 30 CFEDMN C=C(C)CN1C[C@@H](NC(=O)c2ccoc2Cl)C(C)(C)C1 ZINC000974501511 613338495 /nfs/dbraw/zinc/33/84/95/613338495.db2.gz WTDYRLWVJLFTGQ-GFCCVEGCSA-N 0 1 296.798 2.949 20 30 CFEDMN C=C(C)CN1C[C@@H](NC(=O)c2occc2Cl)C(C)(C)C1 ZINC000975000907 613338801 /nfs/dbraw/zinc/33/88/01/613338801.db2.gz KMVJIFNVZDVBTC-GFCCVEGCSA-N 0 1 296.798 2.949 20 30 CFEDMN C=C(Cl)CN1CCC[C@@H](N(C)C(=O)C2CCC2)CC1 ZINC000948140054 613374175 /nfs/dbraw/zinc/37/41/75/613374175.db2.gz MXRDQKJTCLUVPF-CQSZACIVSA-N 0 1 284.831 2.852 20 30 CFEDMN C=C(Cl)CN1CCC[C@@H](N(C)C(=O)[C@@H]2C[C@H]2C)CC1 ZINC000948680450 613374248 /nfs/dbraw/zinc/37/42/48/613374248.db2.gz IQSJXGLJFZSZIL-MRVWCRGKSA-N 0 1 284.831 2.708 20 30 CFEDMN C=C(Cl)CN1CCC[C@H](N(C)C(=O)CC2CC2)CC1 ZINC000948136422 613374432 /nfs/dbraw/zinc/37/44/32/613374432.db2.gz OVWPQUUKUOEWSF-AWEZNQCLSA-N 0 1 284.831 2.852 20 30 CFEDMN C=C(Cl)CN[C@@H]1CCN(C(=O)C2(C)CCCC2)C1 ZINC000969505157 613384337 /nfs/dbraw/zinc/38/43/37/613384337.db2.gz WGULWXSXIGFZKV-GFCCVEGCSA-N 0 1 270.804 2.510 20 30 CFEDMN C=C(Cl)CN[C@@H]1CCN(C(=O)C(C)(C)C(F)(F)F)C1 ZINC000970533749 613384341 /nfs/dbraw/zinc/38/43/41/613384341.db2.gz KVUGVCGONWYUKL-SECBINFHSA-N 0 1 298.736 2.518 20 30 CFEDMN C=C(Cl)CN[C@@H]1CCN(C(=O)C[C@H](C)c2ccco2)C1 ZINC000970499921 613384852 /nfs/dbraw/zinc/38/48/52/613384852.db2.gz BBZIRUSFBMIIOU-WCQYABFASA-N 0 1 296.798 2.716 20 30 CFEDMN C=C(Cl)CN[C@@H]1CCN(C(=O)c2ccc(C)cc2)C1 ZINC000970561418 613385616 /nfs/dbraw/zinc/38/56/16/613385616.db2.gz UODRHLNMWZNXDA-CQSZACIVSA-N 0 1 278.783 2.552 20 30 CFEDMN C=C(Cl)CN[C@@H]1CCN(C(=O)c2ccc(F)c(C)c2)C1 ZINC000969771913 613385648 /nfs/dbraw/zinc/38/56/48/613385648.db2.gz AAZWVGOBWDGPSM-CYBMUJFWSA-N 0 1 296.773 2.691 20 30 CFEDMN C=C1CCC(C(=O)N2CCN(CCCC)CC2)CC1 ZINC000950046523 613405084 /nfs/dbraw/zinc/40/50/84/613405084.db2.gz CTUNUSXAGYRCIY-UHFFFAOYSA-N 0 1 264.413 2.677 20 30 CFEDMN C=C[C@@H](C(=O)N1CCN(CCC2CC2)CC1)c1ccccc1 ZINC000957744121 613441320 /nfs/dbraw/zinc/44/13/20/613441320.db2.gz KZWQGVUOXFEYKE-GOSISDBHSA-N 0 1 298.430 2.901 20 30 CFEDMN C=C[C@@H](C(=O)N1CCN(CCC)CC1)c1ccccc1 ZINC000957746739 613441387 /nfs/dbraw/zinc/44/13/87/613441387.db2.gz FSASEMOIZNVAJN-MRXNPFEDSA-N 0 1 272.392 2.510 20 30 CFEDMN C=C[C@](C)(CC)C(=O)N1CCCN(CC(=C)C)CC1 ZINC000981887967 613501786 /nfs/dbraw/zinc/50/17/86/613501786.db2.gz VSJNCAPGHMBQEO-MRXNPFEDSA-N 0 1 264.413 2.699 20 30 CFEDMN C=CCCN1CCN(C(=O)C2C[C@@H](C)C[C@H](C)C2)CC1 ZINC000957819946 613502480 /nfs/dbraw/zinc/50/24/80/613502480.db2.gz URQQCJIVZJUHCB-GJZGRUSLSA-N 0 1 278.440 2.779 20 30 CFEDMN C=CCCN1CCN(C(=O)C[C@@H]2CCCC2(F)F)CC1 ZINC000949859643 613503871 /nfs/dbraw/zinc/50/38/71/613503871.db2.gz WOGKTYQQOFPODR-ZDUSSCGKSA-N 0 1 286.366 2.532 20 30 CFEDMN C=CCCN1CCN(C(=O)C[C@H]2CCC(F)(F)C2)CC1 ZINC000948682523 613504480 /nfs/dbraw/zinc/50/44/80/613504480.db2.gz ABVCDIORHQTYBH-CYBMUJFWSA-N 0 1 286.366 2.532 20 30 CFEDMN C=CCCN1CCN(C(=O)[C@@H](C)Cc2ccccc2)CC1 ZINC000957736424 613505183 /nfs/dbraw/zinc/50/51/83/613505183.db2.gz IUBMOPZJISFOKU-INIZCTEOSA-N 0 1 286.419 2.586 20 30 CFEDMN C=CCCN1CCN(C(=O)[C@@H]2CCC[C@H]2CCC)CC1 ZINC000948993256 613506280 /nfs/dbraw/zinc/50/62/80/613506280.db2.gz VYGKFBRSWLSTGR-HZPDHXFCSA-N 0 1 278.440 2.923 20 30 CFEDMN C=CCCN1CCN(C(=O)[C@H]2CCCC[C@H]2C2CC2)CC1 ZINC000949464636 613508453 /nfs/dbraw/zinc/50/84/53/613508453.db2.gz AOEUSUNXPLLZNP-IRXDYDNUSA-N 0 1 290.451 2.923 20 30 CFEDMN C=CCCN1CCN(C(=O)[C@H]2CCC[C@@H]2CC)CC1 ZINC000950332330 613508500 /nfs/dbraw/zinc/50/85/00/613508500.db2.gz JRMINFFZDZZEOW-GJZGRUSLSA-N 0 1 264.413 2.533 20 30 CFEDMN C=CCCN1CCN(C(=O)[C@H]2C[C@@]2(CC)C(C)C)CC1 ZINC000956971147 613509125 /nfs/dbraw/zinc/50/91/25/613509125.db2.gz UKOICMLTSKINFC-WBVHZDCISA-N 0 1 278.440 2.779 20 30 CFEDMN CC#CCN1CC([C@@H](C)NC(=O)[C@@H]2CCC=CCCC2)C1 ZINC000969954724 613530548 /nfs/dbraw/zinc/53/05/48/613530548.db2.gz UDMXIHYQJYPUGL-HZPDHXFCSA-N 0 1 288.435 2.583 20 30 CFEDMN CC#CCN1CCCC2(CN(C(=O)c3cccc(C)c3)C2)C1 ZINC000981601534 613543792 /nfs/dbraw/zinc/54/37/92/613543792.db2.gz ZWXMENHFFTYUII-UHFFFAOYSA-N 0 1 296.414 2.556 20 30 CFEDMN CC#CCN1CC[C@@H](C)[C@@H](NC(=O)C2(C)CCCCC2)C1 ZINC000968191568 613571713 /nfs/dbraw/zinc/57/17/13/613571713.db2.gz OACAQWAMYAVKPO-CVEARBPZSA-N 0 1 290.451 2.807 20 30 CFEDMN C=CCN1CC([C@@H](C)NC(=O)[C@@H]2CCC(C)=C(C)C2)C1 ZINC000969740154 613662008 /nfs/dbraw/zinc/66/20/08/613662008.db2.gz MJXHDOBLQUTOKL-HUUCEWRRSA-N 0 1 276.424 2.745 20 30 CFEDMN C=CCN1CC([C@H](C)NC(=O)c2ccc(C)c3c2CCC3)C1 ZINC000970940275 613671365 /nfs/dbraw/zinc/67/13/65/613671365.db2.gz BBCNWHXOWDLSGS-AWEZNQCLSA-N 0 1 298.430 2.720 20 30 CFEDMN C=CCN1CCCN(C(=O)C2(Cc3ccccc3)CC2)CC1 ZINC000981357222 613688512 /nfs/dbraw/zinc/68/85/12/613688512.db2.gz FWISFAGQBAKDAO-UHFFFAOYSA-N 0 1 298.430 2.730 20 30 CFEDMN C=CCN1CCCN(C(=O)Cc2cccc(Cl)c2)CC1 ZINC000981865487 613689927 /nfs/dbraw/zinc/68/99/27/613689927.db2.gz DPSFUCVSDOPXET-UHFFFAOYSA-N 0 1 292.810 2.603 20 30 CFEDMN C=CCN1CCCN(C(=O)[C@@H]2[C@@H](C=C(C)C)C2(C)C)CC1 ZINC000981587579 613692759 /nfs/dbraw/zinc/69/27/59/613692759.db2.gz LGHLDWHATGDKBE-CVEARBPZSA-N 0 1 290.451 2.945 20 30 CFEDMN C=CCN1CCCN(C(=O)c2ccc3occc3c2)CC1 ZINC000981218707 613696896 /nfs/dbraw/zinc/69/68/96/613696896.db2.gz NFFIHOSLHZDCOC-UHFFFAOYSA-N 0 1 284.359 2.767 20 30 CFEDMN C=CCN1CCCN(C(=O)c2cccc3[nH]ccc32)CC1 ZINC000982014598 613698406 /nfs/dbraw/zinc/69/84/06/613698406.db2.gz IBKHHYXJBXWFCA-UHFFFAOYSA-N 0 1 283.375 2.502 20 30 CFEDMN C=CCN1CC[C@@H](C)[C@@H](NC(=O)C2CCC=CCC2)C1 ZINC000968661413 613728241 /nfs/dbraw/zinc/72/82/41/613728241.db2.gz ZNLMWRHZEHJXLH-ZBFHGGJFSA-N 0 1 276.424 2.745 20 30 CFEDMN C=CCN1CC[C@@H](C)[C@@H](NC(=O)CC2=CCCCC2)C1 ZINC000965601643 613728329 /nfs/dbraw/zinc/72/83/29/613728329.db2.gz XRZRSRRAGSMYAU-ZBFHGGJFSA-N 0 1 276.424 2.890 20 30 CFEDMN C=CCN1CC[C@@H](C)[C@@H](NC(=O)c2cccc(C)c2C)C1 ZINC000968606801 613729967 /nfs/dbraw/zinc/72/99/67/613729967.db2.gz JTPFPNGMYZLVES-PBHICJAKSA-N 0 1 286.419 2.930 20 30 CFEDMN C=CCN1CC[C@@H](C)[C@H](NC(=O)c2cc(F)ccc2C)C1 ZINC000967524072 613734116 /nfs/dbraw/zinc/73/41/16/613734116.db2.gz LBMWUOHQWAOVNJ-CZUORRHYSA-N 0 1 290.382 2.760 20 30 CFEDMN C=CCN1CC[C@@H](C)[C@H](NC(=O)c2csc(C)c2C)C1 ZINC000966328516 613735945 /nfs/dbraw/zinc/73/59/45/613735945.db2.gz RBYXFQYPVSCJMN-IAQYHMDHSA-N 0 1 292.448 2.991 20 30 CFEDMN C=CCN1CC[C@H](C)[C@@H](NC(=O)C(F)=C2CCCC2)C1 ZINC000965894170 613766599 /nfs/dbraw/zinc/76/65/99/613766599.db2.gz DEYNDHVACBLMIV-JSGCOSHPSA-N 0 1 280.387 2.797 20 30 CFEDMN C=CCN1CC[C@H](C)[C@@H](NC(=O)C2C(C)(C)C2(C)C)C1 ZINC000965862345 613767020 /nfs/dbraw/zinc/76/70/20/613767020.db2.gz OUYHCKCRROLUDW-STQMWFEESA-N 0 1 278.440 2.681 20 30 CFEDMN C=CCN1CC[C@H](C)[C@@H](NC(=O)c2c(C)coc2C)C1 ZINC000965984780 613768111 /nfs/dbraw/zinc/76/81/11/613768111.db2.gz JCWVQVSWOXGDLS-FZMZJTMJSA-N 0 1 276.380 2.523 20 30 CFEDMN C=CCN1CC[C@H](C)[C@@H](NC(=O)c2ccccc2Cl)C1 ZINC000968574224 613769297 /nfs/dbraw/zinc/76/92/97/613769297.db2.gz DQTWZTFOOHEFTD-WFASDCNBSA-N 0 1 292.810 2.966 20 30 CFEDMN C=CCN1CC[C@H](C)[C@@H](NC(=O)c2ccc(F)cc2F)C1 ZINC000968607542 613769767 /nfs/dbraw/zinc/76/97/67/613769767.db2.gz VZUIAOZZEUVORB-NHYWBVRUSA-N 0 1 294.345 2.591 20 30 CFEDMN C=CCN1CC[C@H](C)[C@@H](NC(=O)c2ccc3cc[nH]c3c2)C1 ZINC000968364019 613769856 /nfs/dbraw/zinc/76/98/56/613769856.db2.gz CNEHLLQNVWRDEX-GUYCJALGSA-N 0 1 297.402 2.794 20 30 CFEDMN C=CCN1CC[C@H](C)[C@H](NC(=O)Cc2ccc(C)s2)C1 ZINC000968678761 613771677 /nfs/dbraw/zinc/77/16/77/613771677.db2.gz URLMLGWXJHGNTL-SWLSCSKDSA-N 0 1 292.448 2.612 20 30 CFEDMN C=CCN1CC[C@H](C)[C@H](NC(=O)C2CCC3(CC3)CC2)C1 ZINC000967402016 613771820 /nfs/dbraw/zinc/77/18/20/613771820.db2.gz KZLISXAZMSVPOC-GOEBONIOSA-N 0 1 290.451 2.969 20 30 CFEDMN C=CCN1CC[C@H](C)[C@H](NC(=O)c2ccoc2C2CC2)C1 ZINC000968033076 613774897 /nfs/dbraw/zinc/77/48/97/613774897.db2.gz BJYWHPZUYFMUSV-SWLSCSKDSA-N 0 1 288.391 2.783 20 30 CFEDMN C=CCN1C[C@@H](NC(=O)[C@@H](C)c2cccs2)C(C)(C)C1 ZINC000975029960 613807557 /nfs/dbraw/zinc/80/75/57/613807557.db2.gz PLTPWVOWQLXHAE-GXTWGEPZSA-N 0 1 292.448 2.864 20 30 CFEDMN C=CCN1C[C@@H](NC(=O)[C@H](C)c2cccs2)C(C)(C)C1 ZINC000975029966 613808786 /nfs/dbraw/zinc/80/87/86/613808786.db2.gz PLTPWVOWQLXHAE-TZMCWYRMSA-N 0 1 292.448 2.864 20 30 CFEDMN C=CCN1C[C@@H](NC(=O)c2ccc(C)c(F)c2)C(C)(C)C1 ZINC000974802988 613810350 /nfs/dbraw/zinc/81/03/50/613810350.db2.gz ALFMOKJVZONUSM-OAHLLOKOSA-N 0 1 290.382 2.760 20 30 CFEDMN C=CCN1C[C@@H](NC(=O)c2cccc3[nH]ccc32)C(C)(C)C1 ZINC000975062578 613811246 /nfs/dbraw/zinc/81/12/46/613811246.db2.gz GLHJUOOYIMCZHI-MRXNPFEDSA-N 0 1 297.402 2.794 20 30 CFEDMN C=CCN1C[C@H](NC(=O)C2CCC(F)CC2)C(C)(C)C1 ZINC000974997902 613826537 /nfs/dbraw/zinc/82/65/37/613826537.db2.gz SFVNLWPSUVOYEE-RUXDESIVSA-N 0 1 282.403 2.527 20 30 CFEDMN C=CCN1C[C@H](NC(=O)[C@@H]2C[C@H]2CC(C)C)C(C)(C)C1 ZINC000975058290 613827415 /nfs/dbraw/zinc/82/74/15/613827415.db2.gz ROUDBJSWQYWVFE-KFWWJZLASA-N 0 1 278.440 2.681 20 30 CFEDMN C=CCN1C[C@H](NC(=O)[C@H](C)c2cccs2)C(C)(C)C1 ZINC000975029964 613827730 /nfs/dbraw/zinc/82/77/30/613827730.db2.gz PLTPWVOWQLXHAE-OCCSQVGLSA-N 0 1 292.448 2.864 20 30 CFEDMN C=CCN1C[C@H](NC(=O)c2cc(C)cc(C)c2)C(C)(C)C1 ZINC000977550566 613828343 /nfs/dbraw/zinc/82/83/43/613828343.db2.gz WYOGBYXFDOBFJP-INIZCTEOSA-N 0 1 286.419 2.930 20 30 CFEDMN C=CCN1C[C@H](NC(=O)c2cc(F)ccc2C)C(C)(C)C1 ZINC000974879891 613828681 /nfs/dbraw/zinc/82/86/81/613828681.db2.gz IQWFVDIKSYITTN-HNNXBMFYSA-N 0 1 290.382 2.760 20 30 CFEDMN C=CCN1C[C@H](NC(=O)c2ccc(C3CC3)cn2)C(C)(C)C1 ZINC000977555738 613828703 /nfs/dbraw/zinc/82/87/03/613828703.db2.gz WMZGXENVMCEJKS-INIZCTEOSA-N 0 1 299.418 2.585 20 30 CFEDMN C=CCN1C[C@H](NC(=O)c2cccc(Cl)c2)C(C)(C)C1 ZINC000977507120 613829132 /nfs/dbraw/zinc/82/91/32/613829132.db2.gz CKCPOMBXXUFRJA-AWEZNQCLSA-N 0 1 292.810 2.966 20 30 CFEDMN C=CCN1C[C@H](NC(=O)c2cccc(C)c2C)C(C)(C)C1 ZINC000977579904 613829286 /nfs/dbraw/zinc/82/92/86/613829286.db2.gz YIWDYOJZGMKULJ-INIZCTEOSA-N 0 1 286.419 2.930 20 30 CFEDMN C=CCN1C[C@H](NC(=O)c2sc(C)cc2C)C(C)(C)C1 ZINC000974621673 613829995 /nfs/dbraw/zinc/82/99/95/613829995.db2.gz BCRBVKOTNNGGRH-ZDUSSCGKSA-N 0 1 292.448 2.991 20 30 CFEDMN CC(C)C(=O)N[C@H]1CN(Cc2cccc(C#N)c2)CC[C@H]1C ZINC000965248148 613959871 /nfs/dbraw/zinc/95/98/71/613959871.db2.gz RWEYVDUPEFCJDU-PBHICJAKSA-N 0 1 299.418 2.541 20 30 CFEDMN N#Cc1c(F)cccc1CN[C@H]1CCOC12CCCC2 ZINC000934392299 618028303 /nfs/dbraw/zinc/02/83/03/618028303.db2.gz VEMSAWDYVJMVFA-HNNXBMFYSA-N 0 1 274.339 2.889 20 30 CFEDMN C=CC[C@H]1CCN1C(=O)c1cc(-c2ccccc2O)[nH]n1 ZINC000890559408 617652333 /nfs/dbraw/zinc/65/23/33/617652333.db2.gz MUSKRMYOUJYLNR-NSHDSACASA-N 0 1 283.331 2.573 20 30 CFEDMN C=CC(C)(C)NC(=O)NC[C@@H](c1cccc(F)c1)N(C)C ZINC000891536349 617655419 /nfs/dbraw/zinc/65/54/19/617655419.db2.gz RXEJFSKRCKOGCO-AWEZNQCLSA-N 0 1 293.386 2.692 20 30 CFEDMN C[C@H]1C(=NOCC(F)F)CCN1Cc1ccccc1 ZINC000811647381 617659086 /nfs/dbraw/zinc/65/90/86/617659086.db2.gz JRGKEHTZGHLVFX-NSHDSACASA-N 0 1 268.307 2.919 20 30 CFEDMN CCNc1ccc(C#N)cc1NC(=O)c1[nH]c(C)nc1C ZINC000901038012 620744632 /nfs/dbraw/zinc/74/46/32/620744632.db2.gz HVXBTFSFEMMHLH-UHFFFAOYSA-N 0 1 283.335 2.582 20 30 CFEDMN O=C(/C=C\c1cnn2ccccc12)c1ccccc1O ZINC000254967187 617700077 /nfs/dbraw/zinc/70/00/77/617700077.db2.gz HZRJIVZBNIEPHJ-HJWRWDBZSA-N 0 1 264.284 2.936 20 30 CFEDMN CCn1cc(/C=C\C(=O)c2ccc(OC)cc2O)cn1 ZINC000254970598 617705017 /nfs/dbraw/zinc/70/50/17/617705017.db2.gz GQARQGPPNOVCRU-DAXSKMNVSA-N 0 1 272.304 2.513 20 30 CFEDMN Cn1nccc1[C@H]1CCCN(Cc2csc(C#N)c2)C1 ZINC000891754433 617740516 /nfs/dbraw/zinc/74/05/16/617740516.db2.gz NFPDSRFKTUZZPT-ZDUSSCGKSA-N 0 1 286.404 2.733 20 30 CFEDMN Cc1cccc(C)c1CN(C)[C@H](C)C(=O)NC1(C#N)CCC1 ZINC000933764735 617772423 /nfs/dbraw/zinc/77/24/23/617772423.db2.gz XRVKKOHOCVYSNS-OAHLLOKOSA-N 0 1 299.418 2.686 20 30 CFEDMN C#CCN(Cc1c2c(nn1C)CCC2)C1CCCCC1 ZINC000891825031 617772469 /nfs/dbraw/zinc/77/24/69/617772469.db2.gz XHCSINPRQWGFHX-UHFFFAOYSA-N 0 1 271.408 2.677 20 30 CFEDMN C=CCCn1cc(CN2CCCSC[C@@H]2C2CC2)nn1 ZINC000933911866 617815225 /nfs/dbraw/zinc/81/52/25/617815225.db2.gz GGFXNXPQHFMGTK-OAHLLOKOSA-N 0 1 292.452 2.572 20 30 CFEDMN C(=NNc1nc2ccccc2[nH]1)c1ccnn1C1CCC1 ZINC000901129075 620754791 /nfs/dbraw/zinc/75/47/91/620754791.db2.gz WOHKLSXVAOVMEL-UHFFFAOYSA-N 0 1 280.335 2.930 20 30 CFEDMN CC(=NNc1ccc(F)cn1)c1cnn(C2CCC2)c1 ZINC000901185656 620759107 /nfs/dbraw/zinc/75/91/07/620759107.db2.gz RKDDIENKOWOXDB-UHFFFAOYSA-N 0 1 273.315 2.978 20 30 CFEDMN C[C@@H]1CC[C@H](CC(=O)C(C#N)C(=O)NCc2ccccc2)C1 ZINC000247694900 617890903 /nfs/dbraw/zinc/89/09/03/617890903.db2.gz TUKXIYCCFMNBAL-KBMXLJTQSA-N 0 1 298.386 2.838 20 30 CFEDMN Cn1c2ccccc2nc1NN=Cc1ccnn1C1CCC1 ZINC000901169340 620760799 /nfs/dbraw/zinc/76/07/99/620760799.db2.gz ANJPSIHSXSSGEY-UHFFFAOYSA-N 0 1 294.362 2.941 20 30 CFEDMN C=CCCCN(CC)C(=O)c1nnc2ccccc2c1O ZINC000890813999 617909023 /nfs/dbraw/zinc/90/90/23/617909023.db2.gz RFJGRDXMDLKOCX-UHFFFAOYSA-N 0 1 285.347 2.764 20 30 CFEDMN C=CCCCN(CC)C(=O)c1ccc(F)cc1O ZINC000890811943 617909456 /nfs/dbraw/zinc/90/94/56/617909456.db2.gz PPBUSSISPUVESB-UHFFFAOYSA-N 0 1 251.301 2.960 20 30 CFEDMN C=CCCCN(CC)C(=O)c1c(O)cccc1F ZINC000890812341 617910441 /nfs/dbraw/zinc/91/04/41/617910441.db2.gz JGFFIQWQTZTMEF-UHFFFAOYSA-N 0 1 251.301 2.960 20 30 CFEDMN C=CCCCN(CC)C(=O)[C@H]1CCCc2[nH]ncc21 ZINC000890813564 617910740 /nfs/dbraw/zinc/91/07/40/617910740.db2.gz MLXABADUJLQCMI-LBPRGKRZSA-N 0 1 261.369 2.644 20 30 CFEDMN C=CC1(CC(=O)N[C@@H](CCC)c2nn[nH]n2)CCCCC1 ZINC000934310501 617995794 /nfs/dbraw/zinc/99/57/94/617995794.db2.gz BEDZOWRHNLNSAZ-LBPRGKRZSA-N 0 1 291.399 2.684 20 30 CFEDMN C=CC[C@@H]1CCN1C[C@](C)(O)C(F)(F)C(F)(F)F ZINC000934462618 618040856 /nfs/dbraw/zinc/04/08/56/618040856.db2.gz RLQKVJKUQSZOGA-BDAKNGLRSA-N 0 1 273.245 2.585 20 30 CFEDMN Clc1cccc(N2CCCC2)c1C=[NH+][N-]c1ncn[nH]1 ZINC000807996619 618057370 /nfs/dbraw/zinc/05/73/70/618057370.db2.gz AVTYEVZLYPBVCW-UHFFFAOYSA-N 0 1 290.758 2.504 20 30 CFEDMN CCNN=Cc1ccc(N2CCCCC2)c([N+](=O)[O-])c1 ZINC000901277772 620775466 /nfs/dbraw/zinc/77/54/66/620775466.db2.gz HUMMURARWCTRIL-UHFFFAOYSA-N 0 1 276.340 2.529 20 30 CFEDMN C#CCCN1CCN(c2cc3c(F)cccc3cn2)CC1 ZINC000892316483 618114734 /nfs/dbraw/zinc/11/47/34/618114734.db2.gz ZGAZNRHVQCFLCF-UHFFFAOYSA-N 0 1 283.350 2.519 20 30 CFEDMN C#Cc1ccc(NC(=O)[C@@H]2C[C@H](C)Cc3cn[nH]c32)cc1 ZINC000891312904 618120120 /nfs/dbraw/zinc/12/01/20/618120120.db2.gz CTZXWPHUTPKAQI-IAQYHMDHSA-N 0 1 279.343 2.696 20 30 CFEDMN C#Cc1ccc(NC(=O)N2CCN(CC)C[C@H]2CC)cc1 ZINC000934927414 618158669 /nfs/dbraw/zinc/15/86/69/618158669.db2.gz NLLYFDDHYNQDTP-MRXNPFEDSA-N 0 1 285.391 2.616 20 30 CFEDMN C[C@H]1CC(NN=Cc2cc(F)c(O)c(F)c2)C[C@H](C)O1 ZINC000901311702 620783053 /nfs/dbraw/zinc/78/30/53/620783053.db2.gz VXLCKMFFDGGOJQ-IUCAKERBSA-N 0 1 284.306 2.550 20 30 CFEDMN C#CCC1(NCc2nc(C3CC3)nn2C)CCCCC1 ZINC000933265128 618179398 /nfs/dbraw/zinc/17/93/98/618179398.db2.gz AWYPENNYEBMLIB-UHFFFAOYSA-N 0 1 272.396 2.508 20 30 CFEDMN N#C[C@@H]1CC[C@@H](NCc2ccc(Br)cn2)C1 ZINC000309545356 618196411 /nfs/dbraw/zinc/19/64/11/618196411.db2.gz HUYIAPLUIKZWOV-MWLCHTKSSA-N 0 1 280.169 2.626 20 30 CFEDMN O=C(/C=C\c1cccc2nccn21)c1ccccc1O ZINC000255326256 618197998 /nfs/dbraw/zinc/19/79/98/618197998.db2.gz SRKFJHUWGXKSIQ-HJWRWDBZSA-N 0 1 264.284 2.936 20 30 CFEDMN CC(C)(C)OC(=O)N1CCC[C@H](NCC(C)(C)C#N)C1 ZINC000169278693 618208637 /nfs/dbraw/zinc/20/86/37/618208637.db2.gz MAYQNOLJRUPGPY-LBPRGKRZSA-N 0 1 281.400 2.525 20 30 CFEDMN CCc1nn(C)cc1/C=C\C(=O)c1ccc(C)cc1O ZINC000255360432 618212015 /nfs/dbraw/zinc/21/20/15/618212015.db2.gz HMMSGHZCHIFCHC-VURMDHGXSA-N 0 1 270.332 2.893 20 30 CFEDMN CON=Cc1ccc(C(=O)C(C#N)c2nc(C)cs2)cc1 ZINC000255359303 618212115 /nfs/dbraw/zinc/21/21/15/618212115.db2.gz MJGKJXNDPMESFE-CYBMUJFWSA-N 0 1 299.355 2.922 20 30 CFEDMN Clc1ccsc1C=NNC1=N[C@@H]2CCCC[C@H]2N1 ZINC000782255600 618213782 /nfs/dbraw/zinc/21/37/82/618213782.db2.gz VNFSRNYARLTTOC-NXEZZACHSA-N 0 1 282.800 2.595 20 30 CFEDMN O[C@@H]1CCCC[C@H]1NN=C1CC[C@@H]2CNc3cccc1c32 ZINC000901333883 620787717 /nfs/dbraw/zinc/78/77/17/620787717.db2.gz DUOISQZTBCBGKD-DJSGYFEHSA-N 0 1 285.391 2.587 20 30 CFEDMN C[C@@H]1CO[C@H](C(=O)C(C#N)c2nc3ccccc3s2)C1 ZINC000892428154 618257034 /nfs/dbraw/zinc/25/70/34/618257034.db2.gz ZTEDXTYLRKOMOB-NHCYSSNCSA-N 0 1 286.356 2.898 20 30 CFEDMN C[C@H]1CC(N=Nc2c(F)cc(F)cc2F)CN1C ZINC000901321275 620791297 /nfs/dbraw/zinc/79/12/97/620791297.db2.gz WPHNDERBXNKOKO-ZETCQYMHSA-N 0 1 257.259 2.596 20 30 CFEDMN C=CC[N@@H+]1CCCC[C@H]1CNC(=O)c1cccc(F)c1 ZINC001024308739 618291556 /nfs/dbraw/zinc/29/15/56/618291556.db2.gz OPUBCMRMPPTIPD-HNNXBMFYSA-N 0 1 276.355 2.596 20 30 CFEDMN C=CCN1CCCC[C@H]1CNC(=O)c1cccc(F)c1 ZINC001024308739 618291560 /nfs/dbraw/zinc/29/15/60/618291560.db2.gz OPUBCMRMPPTIPD-HNNXBMFYSA-N 0 1 276.355 2.596 20 30 CFEDMN C=C(C)CN1CCCC[C@@H]1CNC(=O)c1cccs1 ZINC001024311908 618292125 /nfs/dbraw/zinc/29/21/25/618292125.db2.gz CCRBEEIOYDMNGC-CYBMUJFWSA-N 0 1 278.421 2.909 20 30 CFEDMN N#CC(C(=O)CCCCc1ccccc1)C(=O)N1CCCC1 ZINC000892457179 618293605 /nfs/dbraw/zinc/29/36/05/618293605.db2.gz FNKVWLXEKLLIIC-INIZCTEOSA-N 0 1 298.386 2.731 20 30 CFEDMN C[C@H](C#N)CN(Cc1cc(F)cc(F)c1O)C1CC1 ZINC000894085202 618307982 /nfs/dbraw/zinc/30/79/82/618307982.db2.gz QCEJQYVZPDLUMA-SECBINFHSA-N 0 1 266.291 2.794 20 30 CFEDMN CC#CCN1CCCC[C@H]1CNC(=O)C1=CCCCCC1 ZINC001024410724 618312524 /nfs/dbraw/zinc/31/25/24/618312524.db2.gz JTXDWXSZSIKMRV-KRWDZBQOSA-N 0 1 288.435 2.871 20 30 CFEDMN C=CCN1CCCC[C@H]1CNC(=O)c1ccoc1Cl ZINC001024413769 618312923 /nfs/dbraw/zinc/31/29/23/618312923.db2.gz BZDPVNKGOGFZBQ-NSHDSACASA-N 0 1 282.771 2.703 20 30 CFEDMN Cc1cc(C(C#N)C(=O)[C@@H]2CCOC3(CCC3)C2)nc(C)n1 ZINC000892477355 618339175 /nfs/dbraw/zinc/33/91/75/618339175.db2.gz VOWGPINQRGXNBE-KGLIPLIRSA-N 0 1 299.374 2.619 20 30 CFEDMN C#CC[N@@H+]1CCCC[C@@H]1CNC(=O)[C@H]1CCC=CCCC1 ZINC001024507733 618340653 /nfs/dbraw/zinc/34/06/53/618340653.db2.gz XUTMZINLKNFGEX-DLBZAZTESA-N 0 1 288.435 2.727 20 30 CFEDMN C#CCN1CCCC[C@@H]1CNC(=O)[C@H]1CCC=CCCC1 ZINC001024507733 618340657 /nfs/dbraw/zinc/34/06/57/618340657.db2.gz XUTMZINLKNFGEX-DLBZAZTESA-N 0 1 288.435 2.727 20 30 CFEDMN N#Cc1ccc(O)c(NC(=O)C2(c3ccccc3)CC2)c1 ZINC000179736001 618343213 /nfs/dbraw/zinc/34/32/13/618343213.db2.gz JDRYVLKYRGBOJR-UHFFFAOYSA-N 0 1 278.311 2.934 20 30 CFEDMN N#CC(C(=O)[C@@H]1CCOC2(CCC2)C1)c1ccccn1 ZINC000892482996 618361098 /nfs/dbraw/zinc/36/10/98/618361098.db2.gz ITCUUNHIOITYQA-CHWSQXEVSA-N 0 1 270.332 2.607 20 30 CFEDMN CCCc1cc(C(=O)N(O)Cc2ccc(F)cc2)[nH]n1 ZINC000901375170 620798731 /nfs/dbraw/zinc/79/87/31/620798731.db2.gz DXLBCSJJXWLRJJ-UHFFFAOYSA-N 0 1 277.299 2.533 20 30 CFEDMN Cc1cc(F)ncc1C[N@@H+](C)C[C@H](O)c1cccc(C#N)c1 ZINC000895141915 618375789 /nfs/dbraw/zinc/37/57/89/618375789.db2.gz MRMMONDQPVQVSP-INIZCTEOSA-N 0 1 299.349 2.566 20 30 CFEDMN Cc1cc(F)ncc1CN(C)C[C@H](O)c1cccc(C#N)c1 ZINC000895141915 618375793 /nfs/dbraw/zinc/37/57/93/618375793.db2.gz MRMMONDQPVQVSP-INIZCTEOSA-N 0 1 299.349 2.566 20 30 CFEDMN C=CCN1CCCC[C@@H]1CNC(=O)[C@@H]1CC[C@@H]2C[C@@H]2CC1 ZINC001024573259 618387366 /nfs/dbraw/zinc/38/73/66/618387366.db2.gz YXZNINDKDKRWJG-WCXIOVBPSA-N 0 1 290.451 2.969 20 30 CFEDMN N#CC1CCN(C[C@H](O)c2ccc(Cl)cc2)CC1 ZINC000141989006 618402531 /nfs/dbraw/zinc/40/25/31/618402531.db2.gz YOAMIGZOQWKPRI-AWEZNQCLSA-N 0 1 264.756 2.609 20 30 CFEDMN COC(=O)c1ccccc1N=NCc1ccc(O)cc1 ZINC000776187649 618421652 /nfs/dbraw/zinc/42/16/52/618421652.db2.gz WHERAEXTBHWNLM-UHFFFAOYSA-N 0 1 270.288 2.625 20 30 CFEDMN CSCCON=Cc1ccccc1N1CCO[C@H](C)C1 ZINC000794573884 618431307 /nfs/dbraw/zinc/43/13/07/618431307.db2.gz OGUOPJZVYUWGHM-CYBMUJFWSA-N 0 1 294.420 2.625 20 30 CFEDMN C=CCN1CCCC[C@@H]1CNC(=O)c1ccncc1Cl ZINC001024678453 618439327 /nfs/dbraw/zinc/43/93/27/618439327.db2.gz PTSHGMLKOACPMJ-GFCCVEGCSA-N 0 1 293.798 2.505 20 30 CFEDMN C=CCN1CCCC[C@H]1CNC(=O)c1cc(C)ccc1F ZINC001024681641 618441657 /nfs/dbraw/zinc/44/16/57/618441657.db2.gz RCKSAMWTMAYQKD-AWEZNQCLSA-N 0 1 290.382 2.904 20 30 CFEDMN CC1(C)C(C(=O)C(C#N)C(=O)NCc2ccccc2)C1(C)C ZINC000177596854 618456127 /nfs/dbraw/zinc/45/61/27/618456127.db2.gz HIAFIJVXGURALL-CYBMUJFWSA-N 0 1 298.386 2.694 20 30 CFEDMN C#CCN1CCCC[C@H]1CNC(=O)[C@H]1CC[C@H](CC)CC1 ZINC001024771749 618466284 /nfs/dbraw/zinc/46/62/84/618466284.db2.gz LQJLLVUNPGGZAK-ULQDDVLXSA-N 0 1 290.451 2.807 20 30 CFEDMN C#CCN1CCC[C@H](Nc2ccc(-c3ccncc3)cn2)C1 ZINC000895203222 618466813 /nfs/dbraw/zinc/46/68/13/618466813.db2.gz VWRDIVBQOVFTNJ-KRWDZBQOSA-N 0 1 292.386 2.653 20 30 CFEDMN C=CCN1CCCC[C@@H]1CNC(=O)C1CCC=CCC1 ZINC001024804888 618475104 /nfs/dbraw/zinc/47/51/04/618475104.db2.gz JRBZUJJVPWRMOG-MRXNPFEDSA-N 0 1 276.424 2.890 20 30 CFEDMN COc1cc(CN=Nc2ccc(C)cn2)cc(OC)c1O ZINC000727260474 618475454 /nfs/dbraw/zinc/47/54/54/618475454.db2.gz WKLXPLNYMKBBQX-UHFFFAOYSA-N 0 1 287.319 2.559 20 30 CFEDMN Cn1ccnc1C=NNc1cccc(Cl)c1F ZINC000727257296 618475988 /nfs/dbraw/zinc/47/59/88/618475988.db2.gz IZUBMSRSJASFAU-UHFFFAOYSA-N 0 1 252.680 2.659 20 30 CFEDMN Cc1ccc([N-]N=C2C(=O)Nc3c2c(C)ccc3C)[nH+]c1 ZINC000727259439 618476121 /nfs/dbraw/zinc/47/61/21/618476121.db2.gz DRLDCOXFXUQINO-UHFFFAOYSA-N 0 1 280.331 2.775 20 30 CFEDMN FC(F)Oc1ccc(N=NC2CN3CCC2CC3)cc1 ZINC000726426836 618477178 /nfs/dbraw/zinc/47/71/78/618477178.db2.gz JHSPFRWHGOGWHG-UHFFFAOYSA-N 0 1 281.306 2.782 20 30 CFEDMN Cc1ccc([N-]N=C2C(=O)Nc3ccc(Cl)cc32)[nH+]c1 ZINC000727263315 618478280 /nfs/dbraw/zinc/47/82/80/618478280.db2.gz XQFIUJYZJHBQLJ-UHFFFAOYSA-N 0 1 286.722 2.812 20 30 CFEDMN N#CCC1CN(Cc2cc(Br)cc(F)c2O)C1 ZINC000895254214 618499315 /nfs/dbraw/zinc/49/93/15/618499315.db2.gz QLIGOPKNUDIUAC-UHFFFAOYSA-N 0 1 299.143 2.639 20 30 CFEDMN Fc1cccc(NN=C2CCOc3c(F)cccc32)n1 ZINC000795007098 618528497 /nfs/dbraw/zinc/52/84/97/618528497.db2.gz QIHUWUKBBLCSPC-UHFFFAOYSA-N 0 1 275.258 2.959 20 30 CFEDMN C=C(C)CN(CC)CC(=O)N[C@H](C)CCCCC ZINC000066560370 618623799 /nfs/dbraw/zinc/62/37/99/618623799.db2.gz ZMTTZVBKFFJFFK-CQSZACIVSA-N 0 1 254.418 2.969 20 30 CFEDMN C=C(C)CN1CCC[C@H](NC(=O)[C@H]2CCC(F)(F)C2)C1 ZINC001007469783 618687276 /nfs/dbraw/zinc/68/72/76/618687276.db2.gz PWLAOHQCLOZQPW-STQMWFEESA-N 0 1 286.366 2.579 20 30 CFEDMN C=CCN1CCC[C@@H](NC(=O)[C@@H]2CCC=CCCC2)C1 ZINC001007611543 618715762 /nfs/dbraw/zinc/71/57/62/618715762.db2.gz RTAZCHYHKCPISS-HZPDHXFCSA-N 0 1 276.424 2.890 20 30 CFEDMN C[C@@H]1C[C@H](Nc2cc(C#N)sc2[N+](=O)[O-])CN1C1CC1 ZINC000892876007 618761858 /nfs/dbraw/zinc/76/18/58/618761858.db2.gz MQUDSOKWUYPYHJ-BDAKNGLRSA-N 0 1 292.364 2.565 20 30 CFEDMN C=C(Cl)CN1CC[C@H](C(=O)OC)[C@@H]2CCCC[C@H]21 ZINC000852497583 618776132 /nfs/dbraw/zinc/77/61/32/618776132.db2.gz WZCPIDSHAPTUJQ-RWMBFGLXSA-N 0 1 271.788 2.793 20 30 CFEDMN CCO[C@@H]1C[C@H](N[C@H](CCC#N)c2ccccc2)[C@H]1OC ZINC000893193865 618876198 /nfs/dbraw/zinc/87/61/98/618876198.db2.gz AYWNKUTXLJKKRU-YYIAUSFCSA-N 0 1 288.391 2.813 20 30 CFEDMN C=CCN1CCC[C@H](NC(=O)c2ccc(C=C)cc2)C1 ZINC001008622059 618953730 /nfs/dbraw/zinc/95/37/30/618953730.db2.gz OTHFJLZWVYKGPS-INIZCTEOSA-N 0 1 270.376 2.710 20 30 CFEDMN C=CCN1CCC[C@H](NC(=O)c2ccoc2CCC)C1 ZINC001009197489 618983671 /nfs/dbraw/zinc/98/36/71/618983671.db2.gz VDPRMLPSCCFNPN-ZDUSSCGKSA-N 0 1 276.380 2.612 20 30 CFEDMN Cc1nccc(NCC2(CC#N)CC2)c1Br ZINC000893648459 619144122 /nfs/dbraw/zinc/14/41/22/619144122.db2.gz HLGFQMWRUPZMFH-UHFFFAOYSA-N 0 1 280.169 2.680 20 30 CFEDMN C#C[C@H](NCc1ccc(CC(C)C)nc1)[C@@H]1CCCO1 ZINC000893677540 619154106 /nfs/dbraw/zinc/15/41/06/619154106.db2.gz VTMAKUXBMOHOIR-IRXDYDNUSA-N 0 1 272.392 2.551 20 30 CFEDMN C#CCOc1cccc(NC(=O)[C@H]2CCCCN2CC)c1 ZINC000108290193 619280638 /nfs/dbraw/zinc/28/06/38/619280638.db2.gz IRECAEORSXODRV-MRXNPFEDSA-N 0 1 286.375 2.512 20 30 CFEDMN CO[C@@H]1CCN(Cc2csc(C#N)c2)[C@@H](C)C1 ZINC000894255494 619286696 /nfs/dbraw/zinc/28/66/96/619286696.db2.gz ZWXSEEMNKCECLP-CMPLNLGQSA-N 0 1 250.367 2.619 20 30 CFEDMN CO[C@@H]1CCN(Cc2csc(C#N)c2)[C@H](C)C1 ZINC000894255497 619287105 /nfs/dbraw/zinc/28/71/05/619287105.db2.gz ZWXSEEMNKCECLP-ZYHUDNBSSA-N 0 1 250.367 2.619 20 30 CFEDMN C[C@@H](NCc1ccc(C#N)cc1F)C1(Cl)CC1 ZINC000924981564 619314985 /nfs/dbraw/zinc/31/49/85/619314985.db2.gz WBBGCKKNHKGENR-SECBINFHSA-N 0 1 252.720 2.947 20 30 CFEDMN Cc1ncc2c(n1)CCC[C@H]2NCc1cc(C#N)cs1 ZINC000748098985 619334966 /nfs/dbraw/zinc/33/49/66/619334966.db2.gz ADPMJYUAVHQIJQ-CQSZACIVSA-N 0 1 284.388 2.885 20 30 CFEDMN C#C[C@@H](CC)NCc1ccc(C(F)(F)F)nc1N(C)C ZINC000894387010 619362526 /nfs/dbraw/zinc/36/25/26/619362526.db2.gz HGSUBNGDAYOTSY-NSHDSACASA-N 0 1 285.313 2.668 20 30 CFEDMN C(#Cc1ccccc1)CNCc1ccnc(N2CCCC2)c1 ZINC000894528650 619413119 /nfs/dbraw/zinc/41/31/19/619413119.db2.gz PDSJCDPLQXVWLJ-UHFFFAOYSA-N 0 1 291.398 2.823 20 30 CFEDMN C=C(CC)CNCc1ccc(NC(=O)OC(C)(C)C)nn1 ZINC000894776878 619460715 /nfs/dbraw/zinc/46/07/15/619460715.db2.gz YNFNNQXUGCWMIP-UHFFFAOYSA-N 0 1 292.383 2.879 20 30 CFEDMN C#CCCCCCC(=O)N1CC[N@H+](C)[C@@H](C(C)(C)C)C1 ZINC000880613633 619499850 /nfs/dbraw/zinc/49/98/50/619499850.db2.gz VXSJTEBYYPSCRE-OAHLLOKOSA-N 0 1 278.440 2.759 20 30 CFEDMN C#CCCCCCC(=O)N1CCN(C)[C@@H](C(C)(C)C)C1 ZINC000880613633 619499852 /nfs/dbraw/zinc/49/98/52/619499852.db2.gz VXSJTEBYYPSCRE-OAHLLOKOSA-N 0 1 278.440 2.759 20 30 CFEDMN CCc1cccc(NC(=O)CN[C@@H]2CCC[C@H](C#N)C2)c1 ZINC000895039617 619531159 /nfs/dbraw/zinc/53/11/59/619531159.db2.gz NJOHCDKMIPSPOG-LSDHHAIUSA-N 0 1 285.391 2.859 20 30 CFEDMN COc1cc(C(C)=NNc2cccc(Cl)n2)ccn1 ZINC000793164752 619534786 /nfs/dbraw/zinc/53/47/86/619534786.db2.gz XXNJYLFFUKXDAM-UHFFFAOYSA-N 0 1 276.727 2.975 20 30 CFEDMN COCCC1CCN(Cc2csc(C#N)c2)CC1 ZINC000895549822 619550466 /nfs/dbraw/zinc/55/04/66/619550466.db2.gz KUCXTIUXBCRAII-UHFFFAOYSA-N 0 1 264.394 2.868 20 30 CFEDMN C[C@H](CCC#N)CN1CCn2cnc(C(F)(F)F)c2C1 ZINC000895559161 619555454 /nfs/dbraw/zinc/55/54/54/619555454.db2.gz GCCGOORFXWXBJO-SNVBAGLBSA-N 0 1 286.301 2.657 20 30 CFEDMN C[C@@H](NC(=O)[C@H]1CCN1C(C)(C)C)c1ccc(C#N)cc1 ZINC000895637753 619574292 /nfs/dbraw/zinc/57/42/92/619574292.db2.gz NTQQEVQOPWYQEB-IUODEOHRSA-N 0 1 285.391 2.608 20 30 CFEDMN N#Cc1c(F)cccc1CNC[C@H]1CCC2(CCC2)O1 ZINC000895676913 619580253 /nfs/dbraw/zinc/58/02/53/619580253.db2.gz FBUAJPFNKQDBND-CYBMUJFWSA-N 0 1 274.339 2.889 20 30 CFEDMN C[C@@H]1[C@@H](Nc2ncc(C#N)c3ccsc32)CC[N@H+]1C ZINC000895736504 619597243 /nfs/dbraw/zinc/59/72/43/619597243.db2.gz JUILDARGBQQIOJ-SKDRFNHKSA-N 0 1 272.377 2.672 20 30 CFEDMN C#CCN1CCC(Nc2c(Cl)cccc2C#N)CC1 ZINC000895809375 619609860 /nfs/dbraw/zinc/60/98/60/619609860.db2.gz TYOSEBAYKHTMKP-UHFFFAOYSA-N 0 1 273.767 2.721 20 30 CFEDMN C#CCN1CCC(Nc2ncccc2C(F)(F)F)CC1 ZINC000895806927 619612348 /nfs/dbraw/zinc/61/23/48/619612348.db2.gz FMZYCMJMJIUGGF-UHFFFAOYSA-N 0 1 283.297 2.610 20 30 CFEDMN N#Cc1cnc(Cl)c(CN2CC[C@H]([C@H]3CCCO3)C2)c1 ZINC000895844723 619618277 /nfs/dbraw/zinc/61/82/77/619618277.db2.gz OMCRGCDLWOQABN-GXTWGEPZSA-N 0 1 291.782 2.608 20 30 CFEDMN C=CCC1(O)CCN(Cc2cnc3ccc(C)cn23)CC1 ZINC000895835671 619620175 /nfs/dbraw/zinc/62/01/75/619620175.db2.gz KSTSZVLSUVOLME-UHFFFAOYSA-N 0 1 285.391 2.546 20 30 CFEDMN C=C[C@H](CC)CC(=O)Nc1ncc(C(F)(F)F)[nH]1 ZINC000896686351 619788159 /nfs/dbraw/zinc/78/81/59/619788159.db2.gz VFALVEUVBMAQAN-SSDOTTSWSA-N 0 1 261.247 2.969 20 30 CFEDMN C=C1CCC(CNCc2ncc(C(=O)OC)s2)CC1 ZINC000896838258 619836994 /nfs/dbraw/zinc/83/69/94/619836994.db2.gz IDUAFQZXTQYCGF-UHFFFAOYSA-N 0 1 280.393 2.766 20 30 CFEDMN C=C1CC(c2noc([C@@H]3CCc4cnc(C)n4C3)n2)C1 ZINC000896875977 619852909 /nfs/dbraw/zinc/85/29/09/619852909.db2.gz RJFNZTIXQODYCH-LLVKDONJSA-N 0 1 270.336 2.738 20 30 CFEDMN C[C@]1(CNCc2cccc(F)c2C#N)CCCCO1 ZINC000896924168 619893847 /nfs/dbraw/zinc/89/38/47/619893847.db2.gz OKSHLHUUPKBNFN-OAHLLOKOSA-N 0 1 262.328 2.746 20 30 CFEDMN C=C(Cl)CN(C)C1CCN(C(=O)c2ccc(C)o2)CC1 ZINC000985248557 619932084 /nfs/dbraw/zinc/93/20/84/619932084.db2.gz TXOTZVDIHITGBP-UHFFFAOYSA-N 0 1 296.798 2.877 20 30 CFEDMN CC#CCN(C)Cc1cc(Br)cc(OC)c1O ZINC000897166571 619942260 /nfs/dbraw/zinc/94/22/60/619942260.db2.gz QZBRHUSDGAMGTO-UHFFFAOYSA-N 0 1 298.180 2.618 20 30 CFEDMN CC#CC[N@@H+](C)Cc1cn(CCC#N)nc1-c1ccccc1 ZINC000897166038 619942343 /nfs/dbraw/zinc/94/23/43/619942343.db2.gz HOSUFTZAEYJNDA-UHFFFAOYSA-N 0 1 292.386 2.919 20 30 CFEDMN CC#CCN(C)Cc1cn(CCC#N)nc1-c1ccccc1 ZINC000897166038 619942347 /nfs/dbraw/zinc/94/23/47/619942347.db2.gz HOSUFTZAEYJNDA-UHFFFAOYSA-N 0 1 292.386 2.919 20 30 CFEDMN C#CCN(Cc1cc(C)c(Br)cn1)C(C)C ZINC000897171115 619943948 /nfs/dbraw/zinc/94/39/48/619943948.db2.gz QRMFUYCMXRRMFL-UHFFFAOYSA-N 0 1 281.197 2.996 20 30 CFEDMN C#CCN1CCC(NC(=O)c2cc3cc(C)ccc3o2)CC1 ZINC000928657652 619945549 /nfs/dbraw/zinc/94/55/49/619945549.db2.gz RLAUPBQLYMKMCF-UHFFFAOYSA-N 0 1 296.370 2.569 20 30 CFEDMN C[C@H]1CC(NC(=O)c2cscc2C(F)F)=NO1 ZINC000897252724 619959977 /nfs/dbraw/zinc/95/99/77/619959977.db2.gz KMQQMZZKVMIMKQ-YFKPBYRVSA-N 0 1 260.265 2.538 20 30 CFEDMN C=C1CCC(C(=O)N[C@H](C)c2n[nH]c(C(C)C)n2)CC1 ZINC000897257340 619960894 /nfs/dbraw/zinc/96/08/94/619960894.db2.gz ORWUANUJGQKCJJ-LLVKDONJSA-N 0 1 276.384 2.852 20 30 CFEDMN C=C(Cl)CN[C@H]1CCN(C(=O)c2cccs2)[C@H]1C ZINC000985901144 620050091 /nfs/dbraw/zinc/05/00/91/620050091.db2.gz KFOFIBVCAVYHLB-QWRGUYRKSA-N 0 1 284.812 2.693 20 30 CFEDMN C=C(Cl)CN[C@H]1CCN(C(=O)c2cccs2)[C@@H]1C ZINC000985901142 620050127 /nfs/dbraw/zinc/05/01/27/620050127.db2.gz KFOFIBVCAVYHLB-MNOVXSKESA-N 0 1 284.812 2.693 20 30 CFEDMN C=C(Cl)CN[C@H]1CCN(C(=O)CC2CCCC2)[C@@H]1C ZINC000985906151 620051003 /nfs/dbraw/zinc/05/10/03/620051003.db2.gz YRDNTQDVTSFHCK-OCCSQVGLSA-N 0 1 284.831 2.898 20 30 CFEDMN C=C(Cl)CN[C@H]1CCN(C(=O)c2cccc(F)c2)[C@H]1C ZINC000985926051 620052923 /nfs/dbraw/zinc/05/29/23/620052923.db2.gz PCPWXXFUZXRMAS-FZMZJTMJSA-N 0 1 296.773 2.771 20 30 CFEDMN C=C(Cl)CN[C@@H]1CCN(C(=O)c2cc(C)oc2C)[C@H]1C ZINC000985958741 620054531 /nfs/dbraw/zinc/05/45/31/620054531.db2.gz SVPQWGSTSOFQEC-SMDDNHRTSA-N 0 1 296.798 2.842 20 30 CFEDMN C=C(Cl)CN[C@H]1CCN(C(=O)CCC2CC2)[C@H]1C ZINC000986073903 620062373 /nfs/dbraw/zinc/06/23/73/620062373.db2.gz YGGHTHLAHZDUNJ-AAEUAGOBSA-N 0 1 270.804 2.508 20 30 CFEDMN C=C(Cl)CN[C@H]1CCN(C(=O)c2oc(C)cc2C)[C@H]1C ZINC000986125170 620069181 /nfs/dbraw/zinc/06/91/81/620069181.db2.gz RPWUDLOOWJLBEU-STQMWFEESA-N 0 1 296.798 2.842 20 30 CFEDMN C=C(Cl)CN[C@H]1CCN(C(=O)CCc2ccoc2)[C@H]1C ZINC000986125775 620069272 /nfs/dbraw/zinc/06/92/72/620069272.db2.gz DLHMHOMVSHTGAB-JSGCOSHPSA-N 0 1 296.798 2.544 20 30 CFEDMN C=C(Cl)CN[C@H]1CCN(C(=O)c2cc(C)c(C)o2)[C@@H]1C ZINC000986153851 620073643 /nfs/dbraw/zinc/07/36/43/620073643.db2.gz QGPIZWPCLSXMCK-YPMHNXCESA-N 0 1 296.798 2.842 20 30 CFEDMN C=C(Cl)CN[C@H]1CCN(C(=O)C2C=CC=CC=C2)[C@@H]1C ZINC000986315049 620078993 /nfs/dbraw/zinc/07/89/93/620078993.db2.gz HLBSIHQWRXLDMC-HIFRSBDPSA-N 0 1 292.810 2.616 20 30 CFEDMN C=C(Cl)CN[C@H]1CCN(C(=O)C2(F)CCCC2)[C@H]1C ZINC000986444915 620081870 /nfs/dbraw/zinc/08/18/70/620081870.db2.gz FXFQPAUTZUKREQ-RYUDHWBXSA-N 0 1 288.794 2.600 20 30 CFEDMN C=CCC1(C(=O)Nc2cc(C(=O)OC(C)C)[nH]n2)CCC1 ZINC000888119039 620122484 /nfs/dbraw/zinc/12/24/84/620122484.db2.gz QWEMEMCZWVIWKX-UHFFFAOYSA-N 0 1 291.351 2.660 20 30 CFEDMN CC(C)[N@H+](CCC#N)Cc1ccc(C(=O)[O-])s1 ZINC000109602016 620130008 /nfs/dbraw/zinc/13/00/08/620130008.db2.gz GBNOBMXSHZODNY-UHFFFAOYSA-N 0 1 252.339 2.570 20 30 CFEDMN CC(C)[N@@H+](CCC#N)Cc1ccc(C(=O)[O-])s1 ZINC000109602016 620130010 /nfs/dbraw/zinc/13/00/10/620130010.db2.gz GBNOBMXSHZODNY-UHFFFAOYSA-N 0 1 252.339 2.570 20 30 CFEDMN C=C(Cl)CN[C@H]1C[C@H](C)N(C(=O)c2ccccc2C)C1 ZINC000987868692 620157959 /nfs/dbraw/zinc/15/79/59/620157959.db2.gz WBPYBZYEDJBSCO-KBPBESRZSA-N 0 1 292.810 2.940 20 30 CFEDMN C=C(Cl)CN[C@H]1C[C@@H](C)N(C(=O)C(CC)CC)C1 ZINC000988102652 620161923 /nfs/dbraw/zinc/16/19/23/620161923.db2.gz LGRATUSSEQQJSZ-YPMHNXCESA-N 0 1 272.820 2.754 20 30 CFEDMN C=C(Cl)CN[C@@H]1C[C@H](C)N(C(=O)/C=C(\C)C2CC2)C1 ZINC000988196154 620162793 /nfs/dbraw/zinc/16/27/93/620162793.db2.gz CIOSZMNLWZRYIQ-VABZHALQSA-N 0 1 282.815 2.674 20 30 CFEDMN C=C(Cl)CN[C@@H]1C[C@@H](C)N(C(=O)CCC2CC2)C1 ZINC000988404050 620179709 /nfs/dbraw/zinc/17/97/09/620179709.db2.gz LHHCQKMEJHTNKM-DGCLKSJQSA-N 0 1 270.804 2.508 20 30 CFEDMN N#Cc1ccc([C@H]2CN(C[C@H]3CCSC3)CCO2)cc1 ZINC000897595662 620254495 /nfs/dbraw/zinc/25/44/95/620254495.db2.gz FGYCRRCAAZROAS-GDBMZVCRSA-N 0 1 288.416 2.685 20 30 CFEDMN CC(C)[C@H]1C[C@H](NCc2nc(C#N)cs2)CS1 ZINC000897628877 620263625 /nfs/dbraw/zinc/26/36/25/620263625.db2.gz NZTUUCFJPVNOFF-GXSJLCMTSA-N 0 1 267.423 2.634 20 30 CFEDMN C=CCCn1cc(CNCC2(OC)CCCCCC2)nn1 ZINC000898259996 620359721 /nfs/dbraw/zinc/35/97/21/620359721.db2.gz WCBAKMVUIMIXJK-UHFFFAOYSA-N 0 1 292.427 2.683 20 30 CFEDMN C=CCN1CCCN(C(=O)[C@@H]2CCCC(C)(C)C2)CC1 ZINC000989758484 620390138 /nfs/dbraw/zinc/39/01/38/620390138.db2.gz OIVQMVJKUQXFKU-OAHLLOKOSA-N 0 1 278.440 2.923 20 30 CFEDMN C=CCN1CC[C@]2(NC(=O)c3cccs3)CCC[C@@H]12 ZINC000989924687 620402989 /nfs/dbraw/zinc/40/29/89/620402989.db2.gz BEAGWXPDKURNSD-UKRRQHHQSA-N 0 1 276.405 2.661 20 30 CFEDMN C=CCN1CC[C@@]2(NC(=O)c3cc(C)cs3)CCC[C@H]12 ZINC000990592899 620433503 /nfs/dbraw/zinc/43/35/03/620433503.db2.gz YVEITBDMLPDQBK-HOCLYGCPSA-N 0 1 290.432 2.969 20 30 CFEDMN C=CC(C)(C)NCc1ccc(OC)c(OC)c1F ZINC000898460627 620466939 /nfs/dbraw/zinc/46/69/39/620466939.db2.gz QFJOMSQCDMXPQS-UHFFFAOYSA-N 0 1 253.317 2.897 20 30 CFEDMN CCCCCCCC(=O)N1CCC[C@H]1c1nnc[nH]1 ZINC000899101084 620521893 /nfs/dbraw/zinc/52/18/93/620521893.db2.gz FTUFKLPOJZRPMD-LBPRGKRZSA-N 0 1 264.373 2.829 20 30 CFEDMN N#CC1(Cn2cc([C@H]3CCCCN3)nn2)CCCCC1 ZINC000899726058 620594631 /nfs/dbraw/zinc/59/46/31/620594631.db2.gz YJYDMKNUVPPFIZ-CYBMUJFWSA-N 0 1 273.384 2.567 20 30 CFEDMN CC(C)N(Cc1cn(CC2(C#N)CCCC2)nn1)C(C)C ZINC000899724473 620594766 /nfs/dbraw/zinc/59/47/66/620594766.db2.gz GVPAKKLNABVEAT-UHFFFAOYSA-N 0 1 289.427 2.981 20 30 CFEDMN C=CCOc1ccccc1C[N@H+](CC(=O)[O-])CC(C)C ZINC000901589732 620863730 /nfs/dbraw/zinc/86/37/30/620863730.db2.gz DVVDBMJJGZXUOX-UHFFFAOYSA-N 0 1 277.364 2.794 20 30 CFEDMN C=CC[N@@H+](CC(=O)[O-])Cc1ccc(N(CC)CC)cc1 ZINC000901585558 620869684 /nfs/dbraw/zinc/86/96/84/620869684.db2.gz ACBYIWLPSSBPFH-UHFFFAOYSA-N 0 1 276.380 2.605 20 30 CFEDMN N#CCC[C@H](C#N)CNC[C@@H]1CCCC2(CCC2)O1 ZINC000901607037 620872781 /nfs/dbraw/zinc/87/27/81/620872781.db2.gz JMTLYKJVCUYJJH-KGLIPLIRSA-N 0 1 261.369 2.511 20 30 CFEDMN C=CCOc1cccc(C[N@@H+]2CC[C@H](C)C[C@@H]2C(=O)[O-])c1 ZINC000902014421 620958896 /nfs/dbraw/zinc/95/88/96/620958896.db2.gz FKIITGJTBUXSFC-XJKSGUPXSA-N 0 1 289.375 2.937 20 30 CFEDMN C=C(C)C[N@H+](CC)Cc1cn(-c2ccccc2)nc1C(=O)[O-] ZINC000902060012 620971544 /nfs/dbraw/zinc/97/15/44/620971544.db2.gz IBAFWAKJODHORZ-UHFFFAOYSA-N 0 1 299.374 2.969 20 30 CFEDMN C=CCCC(C)(C)C[NH2+]C1CCN(CCCC(=O)[O-])CC1 ZINC000902271014 621019362 /nfs/dbraw/zinc/01/93/62/621019362.db2.gz XXJMNLJUPHWODX-UHFFFAOYSA-N 0 1 296.455 2.898 20 30 CFEDMN C=CC[C@H]1CC[N@H+](Cc2cc(C(=O)[O-])c(CC)o2)C1 ZINC000902491165 621102602 /nfs/dbraw/zinc/10/26/02/621102602.db2.gz XJPOVSKPODVYPW-NSHDSACASA-N 0 1 263.337 2.938 20 30 CFEDMN C=C[C@H]1CCCC[N@@H+]1Cc1ccc(/C=C/C(=O)[O-])o1 ZINC000902545337 621123714 /nfs/dbraw/zinc/12/37/14/621123714.db2.gz VNXHQAKBKGDSTN-BCPZQOPPSA-N 0 1 261.321 2.918 20 30 CFEDMN C=C[C@@H]1CCCC[N@@H+]1Cc1ccc(/C=C/C(=O)[O-])o1 ZINC000902545338 621123975 /nfs/dbraw/zinc/12/39/75/621123975.db2.gz VNXHQAKBKGDSTN-IDVQTMNDSA-N 0 1 261.321 2.918 20 30 CFEDMN C=CCCCN(CC)CN1Cc2ccccc2C1=O ZINC000902669936 621148429 /nfs/dbraw/zinc/14/84/29/621148429.db2.gz UYHDPDHMRXDZAH-UHFFFAOYSA-N 0 1 258.365 2.888 20 30 CFEDMN C[C@@H](NC[C@H](c1ccccc1)[NH+](C)C)c1cc(C#N)ccn1 ZINC000902724875 621158127 /nfs/dbraw/zinc/15/81/27/621158127.db2.gz KYHPDNZDTDJEOB-RDTXWAMCSA-N 0 1 294.402 2.907 20 30 CFEDMN C=CCC[C@H](NCc1nncn1CC)[C@@]1(C)CCCCO1 ZINC000902746906 621163769 /nfs/dbraw/zinc/16/37/69/621163769.db2.gz AJZWRFTXQBIVPQ-GOEBONIOSA-N 0 1 292.427 2.682 20 30 CFEDMN CC[C@@H](NCc1cc(C)n[nH]1)c1cccc(C#N)c1 ZINC000902810005 621183890 /nfs/dbraw/zinc/18/38/90/621183890.db2.gz YXAZRQBWRAMQLH-OAHLLOKOSA-N 0 1 254.337 2.831 20 30 CFEDMN CC[C@H](NCc1cc(C)n[nH]1)c1cccc(C#N)c1 ZINC000902810004 621184151 /nfs/dbraw/zinc/18/41/51/621184151.db2.gz YXAZRQBWRAMQLH-HNNXBMFYSA-N 0 1 254.337 2.831 20 30 CFEDMN N#CC1(CN[C@@H](c2nnc[nH]2)c2ccc(F)cc2)CCCC1 ZINC000903109614 621256453 /nfs/dbraw/zinc/25/64/53/621256453.db2.gz SQIVPWRMSBHANT-CQSZACIVSA-N 0 1 299.353 2.707 20 30 CFEDMN Cc1cc(CO)cc(C)c1CN[C@@H](C)c1cc(C#N)ccn1 ZINC000903302925 621317629 /nfs/dbraw/zinc/31/76/29/621317629.db2.gz IDBJDMRBKWESHQ-AWEZNQCLSA-N 0 1 295.386 2.913 20 30 CFEDMN Cc1cc(CO)cc(C)c1CN[C@H](C)c1cc(C#N)ccn1 ZINC000903302926 621317728 /nfs/dbraw/zinc/31/77/28/621317728.db2.gz IDBJDMRBKWESHQ-CQSZACIVSA-N 0 1 295.386 2.913 20 30 CFEDMN N#CC1CCC(C[N@@H+]2CCC[C@H](CCC(=O)[O-])C2)CC1 ZINC000903404738 621360960 /nfs/dbraw/zinc/36/09/60/621360960.db2.gz LATDJWUJHZPSRK-SHARSMKWSA-N 0 1 278.396 2.893 20 30 CFEDMN Cc1cc(C#N)cc(C)c1C[N@@H+]1CCC[C@@H](C)[C@@H]1C(=O)[O-] ZINC000903408052 621363319 /nfs/dbraw/zinc/36/33/19/621363319.db2.gz NNZDAQPDEZHGJO-BDJLRTHQSA-N 0 1 286.375 2.860 20 30 CFEDMN C[C@@H]1CCC[N@@H+](Cc2cc(Cl)cc(C#N)c2)[C@@H]1C(=O)[O-] ZINC000903407719 621363437 /nfs/dbraw/zinc/36/34/37/621363437.db2.gz KIKUYZMGLXEYCR-YGRLFVJLSA-N 0 1 292.766 2.897 20 30 CFEDMN N#Cc1cc(Cl)cc(C[N@@H+]2CCC[C@@H](C(=O)[O-])C2)c1 ZINC000903401774 621368554 /nfs/dbraw/zinc/36/85/54/621368554.db2.gz AWZPNPIWHJMUKF-GFCCVEGCSA-N 0 1 278.739 2.508 20 30 CFEDMN C=C(C)C[NH+]1CCC(NCc2ccc(C(=O)[O-])s2)CC1 ZINC000903676874 621417198 /nfs/dbraw/zinc/41/71/98/621417198.db2.gz IPKMRZXCZWLPIS-UHFFFAOYSA-N 0 1 294.420 2.576 20 30 CFEDMN C[C@H]1CC[N@@H+](CCCCC2(C#N)CCC2)C[C@H]1C(=O)[O-] ZINC000903703216 621422248 /nfs/dbraw/zinc/42/22/48/621422248.db2.gz VNMZEBAPDUUNOC-UONOGXRCSA-N 0 1 278.396 2.893 20 30 CFEDMN CC#CC[C@@H]([NH2+]Cc1cc2cccc(CC)c2o1)C(=O)[O-] ZINC000904057616 621513166 /nfs/dbraw/zinc/51/31/66/621513166.db2.gz WQBSXUNOCHGEBE-OAHLLOKOSA-N 0 1 285.343 2.951 20 30 CFEDMN N#Cc1sccc1-c1cccc([C@H]2COCCN2)c1 ZINC000904893887 621673698 /nfs/dbraw/zinc/67/36/98/621673698.db2.gz DTFCJYUGDXKACU-CQSZACIVSA-N 0 1 270.357 2.948 20 30 CFEDMN CCCN1CCN(c2nc3ccccc3cc2C#N)CC1 ZINC000071389741 625511238 /nfs/dbraw/zinc/51/12/38/625511238.db2.gz MCHZFSXWBNSFFM-UHFFFAOYSA-N 0 1 280.375 2.638 20 30 CFEDMN C=C(C)CC[N@H+](C)[C@H](C(=O)[O-])c1cccc(OC)c1 ZINC000905373003 621755507 /nfs/dbraw/zinc/75/55/07/621755507.db2.gz UAWQRYREWPFKHW-AWEZNQCLSA-N 0 1 263.337 2.719 20 30 CFEDMN FC(F)(F)c1ccnc(N=NC2C[C@H]3CCC[N@H+](C2)C3)c1 ZINC000905477733 621774856 /nfs/dbraw/zinc/77/48/56/621774856.db2.gz VVGHTJKUNNBVHA-SNVBAGLBSA-N 0 1 298.312 2.984 20 30 CFEDMN FC(F)(F)c1ccnc(N=NC2C[C@H]3CCCN(C2)C3)c1 ZINC000905477733 621774862 /nfs/dbraw/zinc/77/48/62/621774862.db2.gz VVGHTJKUNNBVHA-SNVBAGLBSA-N 0 1 298.312 2.984 20 30 CFEDMN Cc1cc(F)c(CNC[C@H](O)CC(C)(C)C#N)c(F)c1 ZINC000905617240 621806577 /nfs/dbraw/zinc/80/65/77/621806577.db2.gz PAZFDISNLBJZTE-LLVKDONJSA-N 0 1 282.334 2.664 20 30 CFEDMN CN(Cc1cn(CCc2ccc(C#N)cc2)nn1)C(C)(C)C ZINC000905807962 621869175 /nfs/dbraw/zinc/86/91/75/621869175.db2.gz CTGSOJBKROBTBQ-UHFFFAOYSA-N 0 1 297.406 2.623 20 30 CFEDMN CC(C)N1CCC[C@H]1C(=O)O[C@H]1CC[C@@](C)(C#N)CC1 ZINC000905921409 621901225 /nfs/dbraw/zinc/90/12/25/621901225.db2.gz JEMDQDQUHUHLJK-OFQRWUPVSA-N 0 1 278.396 2.875 20 30 CFEDMN C=C[C@H](CC)CC(=O)N1[C@H](C)CN(C)[C@@H](C)[C@@H]1C ZINC000905982340 621913607 /nfs/dbraw/zinc/91/36/07/621913607.db2.gz ABQNUDFJHOKLHQ-ZOBORPQBSA-N 0 1 252.402 2.528 20 30 CFEDMN COc1ccc(-c2cnc([C@H]3CCCCN3)nc2)cc1C#N ZINC000906170881 621943072 /nfs/dbraw/zinc/94/30/72/621943072.db2.gz LTIUZDXXQXUCOK-OAHLLOKOSA-N 0 1 294.358 2.838 20 30 CFEDMN N#C[C@]1(C(=O)Nc2ccc3[nH]nnc3c2)CC2CCC1CC2 ZINC000906916747 622065797 /nfs/dbraw/zinc/06/57/97/622065797.db2.gz MQQLRIDYVCCMLP-CLIRUNRCSA-N 0 1 295.346 2.616 20 30 CFEDMN C=CC[C@@H]1N(C(=O)Cc2c[nH]cn2)CCCC1(C)C ZINC000907774757 622161883 /nfs/dbraw/zinc/16/18/83/622161883.db2.gz MLCOXSIZPAINAN-ZDUSSCGKSA-N 0 1 261.369 2.546 20 30 CFEDMN CCC(C#N)(CC)C(=O)N1CCN(C)C2(CCCCC2)C1 ZINC000908578797 622247940 /nfs/dbraw/zinc/24/79/40/622247940.db2.gz YEZYHNCHERVGFI-UHFFFAOYSA-N 0 1 291.439 2.793 20 30 CFEDMN C#CCCC[N@H+](C)[C@@H](C(=O)[O-])c1cc(F)c(F)c(F)c1 ZINC000833361981 625563590 /nfs/dbraw/zinc/56/35/90/625563590.db2.gz UXADRXWIQVVRIC-CYBMUJFWSA-N 0 1 285.265 2.575 20 30 CFEDMN C[C@@H](NN=Cc1ccc(N2CCCC2)nc1)c1ccncc1 ZINC000819816765 622563196 /nfs/dbraw/zinc/56/31/96/622563196.db2.gz OOFPCNQNZZGVOV-CQSZACIVSA-N 0 1 295.390 2.762 20 30 CFEDMN C[Si](C)(C)C#CCCNC(=O)c1n[nH]c2ccccc21 ZINC000912336384 622695229 /nfs/dbraw/zinc/69/52/29/622695229.db2.gz RETLZURWOYPQPY-UHFFFAOYSA-N 0 1 285.423 2.564 20 30 CFEDMN C#CCC(C)(C)COC(=O)c1cc2[nH]cnc2cc1F ZINC000820532816 622697283 /nfs/dbraw/zinc/69/72/83/622697283.db2.gz FXYBHWCPGXNLIF-UHFFFAOYSA-N 0 1 274.295 2.908 20 30 CFEDMN CCCCCCCCOCC(=O)N1CC[C@@H](N2CCC2)C1 ZINC000912915138 622795703 /nfs/dbraw/zinc/79/57/03/622795703.db2.gz CSBBUVQMOAWADK-MRXNPFEDSA-N 0 1 296.455 2.670 20 30 CFEDMN C=CCC1(C(=O)N2CC[C@@H](N3CCC3)C2)CCCCC1 ZINC000912904559 622798784 /nfs/dbraw/zinc/79/87/84/622798784.db2.gz REGBRHRWUGQHRU-OAHLLOKOSA-N 0 1 276.424 2.820 20 30 CFEDMN Cc1nc([C@H](C)OC(=O)c2ccc(C3(C#N)CC3)cc2)n[nH]1 ZINC000840416946 622862909 /nfs/dbraw/zinc/86/29/09/622862909.db2.gz GKAIHIWNBASJEQ-JTQLQIEISA-N 0 1 296.330 2.586 20 30 CFEDMN CN(Cc1ccc2nonc2c1)Cc1cccc(C#N)c1 ZINC000821342233 622900096 /nfs/dbraw/zinc/90/00/96/622900096.db2.gz LZWCJCQCJIONTP-UHFFFAOYSA-N 0 1 278.315 2.726 20 30 CFEDMN Cc1cccc2c1[C@@H](C)C[C@@H]2CC(=O)NCC#CCN(C)C ZINC000913522079 622910813 /nfs/dbraw/zinc/91/08/13/622910813.db2.gz YRARWXBVODFASS-JKSUJKDBSA-N 0 1 298.430 2.657 20 30 CFEDMN CC[C@H](CNC(=O)C#CC(C)C)N1CCc2ccccc2C1 ZINC000821496864 622933834 /nfs/dbraw/zinc/93/38/34/622933834.db2.gz UBCHBRCOWAHTRH-GOSISDBHSA-N 0 1 298.430 2.599 20 30 CFEDMN Cn1nncc1/C=C/C(=O)c1ccc2ccccc2c1O ZINC000156610147 622948677 /nfs/dbraw/zinc/94/86/77/622948677.db2.gz CVZOZXMNHAZQQX-VQHVLOKHSA-N 0 1 279.299 2.570 20 30 CFEDMN C#CCOc1ccccc1NC(=O)CN(C)CC(C)(C)C ZINC000822096397 623033588 /nfs/dbraw/zinc/03/35/88/623033588.db2.gz ZHJSREMLEZSTFF-UHFFFAOYSA-N 0 1 288.391 2.615 20 30 CFEDMN CCCCCCC[C@@H](C)CNC(=O)C1=NC(=O)N(C)C1 ZINC000823062036 623226160 /nfs/dbraw/zinc/22/61/60/623226160.db2.gz IPZIRUDEMGONSV-GFCCVEGCSA-N 0 1 281.400 2.852 20 30 CFEDMN CC[C@]1(C(=O)[O-])CCC[N@@H+](Cc2cccc(C#N)c2)C1 ZINC000062877303 623303119 /nfs/dbraw/zinc/30/31/19/623303119.db2.gz VZVASGFHTAGCCY-INIZCTEOSA-N 0 1 272.348 2.635 20 30 CFEDMN Cc1cccc(NC(=O)C(C#N)C(=O)CC2CCC2)c1 ZINC000173964139 623377464 /nfs/dbraw/zinc/37/74/64/623377464.db2.gz CHQFZCTZKZZYMG-CQSZACIVSA-N 0 1 270.332 2.833 20 30 CFEDMN CCC[C@H](C)C(=O)C(C#N)C(=O)Nc1ccccc1OC ZINC000173977501 623379523 /nfs/dbraw/zinc/37/95/23/623379523.db2.gz LDQSXOCDTUADJP-NWDGAFQWSA-N 0 1 288.347 2.779 20 30 CFEDMN C=CC1CCN(CN2C[C@@H](CC(C)C)CC2=O)CC1 ZINC000174077088 623385494 /nfs/dbraw/zinc/38/54/94/623385494.db2.gz IIOBGKCKBAMRLG-HNNXBMFYSA-N 0 1 264.413 2.737 20 30 CFEDMN C=C(C)COCCNCc1ccnc(Cl)c1F ZINC000824002243 623431009 /nfs/dbraw/zinc/43/10/09/623431009.db2.gz CYSGUJOOVZCOLG-UHFFFAOYSA-N 0 1 258.724 2.556 20 30 CFEDMN C=C[C@H](C)ONC(=O)c1ccc(CN2CCCCC2)o1 ZINC000824033054 623436888 /nfs/dbraw/zinc/43/68/88/623436888.db2.gz AOQZHKXRVURRIY-LBPRGKRZSA-N 0 1 278.352 2.501 20 30 CFEDMN C=C(Br)CN1CCC[C@H]1CSC ZINC000128160417 623525559 /nfs/dbraw/zinc/52/55/59/623525559.db2.gz VIGPGSOPIXEPQG-VIFPVBQESA-N 0 1 250.205 2.722 20 30 CFEDMN C=CCN1CC[C@H](NC(=O)c2occc2-c2ccccc2)C1 ZINC001015183386 623546023 /nfs/dbraw/zinc/54/60/23/623546023.db2.gz WFMFRUIGZWTKMU-HNNXBMFYSA-N 0 1 296.370 2.937 20 30 CFEDMN C=CCCCC(=O)N1C[C@@H]2C[C@H]1CN2Cc1ccccc1 ZINC000913685642 623560315 /nfs/dbraw/zinc/56/03/15/623560315.db2.gz ZLZHMJFVJYKEOV-IRXDYDNUSA-N 0 1 284.403 2.828 20 30 CFEDMN C#CCOc1ccc(CNCc2conc2CC)cc1 ZINC000824926779 623590233 /nfs/dbraw/zinc/59/02/33/623590233.db2.gz SYBYQDIWXGVAPT-UHFFFAOYSA-N 0 1 270.332 2.539 20 30 CFEDMN C#CCN1CC[C@@]2(NC(=O)c3ccc(CC)cc3)CCC[C@H]12 ZINC000992474325 623593212 /nfs/dbraw/zinc/59/32/12/623593212.db2.gz ACLZOKUCSCQICC-HKUYNNGSSA-N 0 1 296.414 2.609 20 30 CFEDMN C#CCN1CC[C@@]2(NC(=O)c3ccc(C)cc3C)CCC[C@H]12 ZINC000992487773 623613467 /nfs/dbraw/zinc/61/34/67/623613467.db2.gz ISDIXJZLDPCJMG-HKUYNNGSSA-N 0 1 296.414 2.663 20 30 CFEDMN C#CCN1CCC(NC(=O)N[C@H](C)CCCC(C)C)CC1 ZINC000913842628 623614544 /nfs/dbraw/zinc/61/45/44/623614544.db2.gz KDLFCMRBRWYSBJ-OAHLLOKOSA-N 0 1 293.455 2.598 20 30 CFEDMN C#CCN1CCC(NC(=O)N[C@@H](C)CCCCCC)CC1 ZINC000913850785 623620262 /nfs/dbraw/zinc/62/02/62/623620262.db2.gz RLCSLAYXONYXNR-HNNXBMFYSA-N 0 1 293.455 2.742 20 30 CFEDMN C#Cc1cccc(CNCc2cnc(CC)s2)c1 ZINC000825226899 623654060 /nfs/dbraw/zinc/65/40/60/623654060.db2.gz ODVYCGJHGZGMFV-UHFFFAOYSA-N 0 1 256.374 2.977 20 30 CFEDMN C#Cc1cccc(CNCc2cn(C)nc2C(C)(C)C)c1 ZINC000825226557 623654078 /nfs/dbraw/zinc/65/40/78/623654078.db2.gz JQZMBPPCIQPZBJ-UHFFFAOYSA-N 0 1 281.403 2.989 20 30 CFEDMN C#CCOc1cccc(Cl)c1CN1C[C@H](C)C[C@H](O)C1 ZINC000825316957 623669620 /nfs/dbraw/zinc/66/96/20/623669620.db2.gz ZJIJFRKUGIBXLI-OLZOCXBDSA-N 0 1 293.794 2.555 20 30 CFEDMN CC1(C)CCCC[C@@H]1CC(=O)[C@@H](C#N)C(=O)NC1CC1 ZINC000152347664 623682557 /nfs/dbraw/zinc/68/25/57/623682557.db2.gz ZIZMZJVPARPABI-DGCLKSJQSA-N 0 1 276.380 2.580 20 30 CFEDMN C=C(Cl)CN[C@@H](C)COc1ccc(CCOC)cc1 ZINC000825429968 623692180 /nfs/dbraw/zinc/69/21/80/623692180.db2.gz RZRGBVWCAHAGOJ-ZDUSSCGKSA-N 0 1 283.799 2.985 20 30 CFEDMN C#C[C@H](CC)NCc1cc(F)ccc1OC(F)F ZINC000825878887 623764466 /nfs/dbraw/zinc/76/44/66/623764466.db2.gz WABKJPHGASJJJA-LLVKDONJSA-N 0 1 257.255 2.929 20 30 CFEDMN C#C[C@@H](NCc1c(C2CCC2)cnn1C)C(C)(C)C ZINC000825940413 623772162 /nfs/dbraw/zinc/77/21/62/623772162.db2.gz WNSRVPWOTGIARO-OAHLLOKOSA-N 0 1 259.397 2.825 20 30 CFEDMN C=C1C[C@H]2CC[C@@H](C1)N2C(=O)c1cc(F)cc(F)c1O ZINC000826018592 623782667 /nfs/dbraw/zinc/78/26/67/623782667.db2.gz GCSNABRNPJYASF-PHIMTYICSA-N 0 1 279.286 2.994 20 30 CFEDMN C#Cc1cccc(CNc2nc(N)nc3c2CCCC3)c1 ZINC000826122140 623795564 /nfs/dbraw/zinc/79/55/64/623795564.db2.gz VDXIESWFOYOMDP-UHFFFAOYSA-N 0 1 278.359 2.531 20 30 CFEDMN N#Cc1ccc(O)c(NC(=O)[C@@H]2CC23CCSCC3)c1 ZINC000826603927 623822218 /nfs/dbraw/zinc/82/22/18/623822218.db2.gz KHSZNLWEFLEPDL-NSHDSACASA-N 0 1 288.372 2.736 20 30 CFEDMN N#Cc1ccc(O)c(NC(=O)C[C@@H]2CC[C@H]3C[C@H]32)c1 ZINC000826603097 623822709 /nfs/dbraw/zinc/82/27/09/623822709.db2.gz CWNFFOFZVKUKED-SDDRHHMPSA-N 0 1 256.305 2.639 20 30 CFEDMN CC#CC[N@H+]1CCC[C@H](NC(=O)c2cccc(C)c2)[C@H]1C ZINC000992981408 623828352 /nfs/dbraw/zinc/82/83/52/623828352.db2.gz JZUFHQVVWCARLL-WBVHZDCISA-N 0 1 284.403 2.601 20 30 CFEDMN CC#CCN1CCC[C@H](NC(=O)c2cccc(C)c2)[C@H]1C ZINC000992981408 623828359 /nfs/dbraw/zinc/82/83/59/623828359.db2.gz JZUFHQVVWCARLL-WBVHZDCISA-N 0 1 284.403 2.601 20 30 CFEDMN C=CCN1CCC[C@H](NC(=O)c2ccsc2)[C@@H]1C ZINC000993008152 623839174 /nfs/dbraw/zinc/83/91/74/623839174.db2.gz AFOYVZOOTGRLLA-AAEUAGOBSA-N 0 1 264.394 2.517 20 30 CFEDMN CC(=NNc1cnn(C)c1)c1nc2c(s1)CCCC2 ZINC000761880618 623840039 /nfs/dbraw/zinc/84/00/39/623840039.db2.gz IIVCOPIFWVYMDW-UHFFFAOYSA-N 0 1 275.381 2.592 20 30 CFEDMN CC(C)C(=O)N[C@@H]1CCCN(Cc2cccc(C#N)c2)[C@@H]1C ZINC000993067309 623882727 /nfs/dbraw/zinc/88/27/27/623882727.db2.gz IAHJUPCCQRFKPK-RHSMWYFYSA-N 0 1 299.418 2.683 20 30 CFEDMN C=C(C)CN1CCC[C@H](NC(=O)c2scnc2C)[C@@H]1C ZINC000993075619 623892194 /nfs/dbraw/zinc/89/21/94/623892194.db2.gz YORWNZRYRJBIPZ-STQMWFEESA-N 0 1 293.436 2.610 20 30 CFEDMN O=C1Nc2c(c(Cl)ccc2F)C1=N[N-]c1cccc[nH+]1 ZINC000914559939 623898573 /nfs/dbraw/zinc/89/85/73/623898573.db2.gz ZAPKGTVPLRZBBX-UHFFFAOYSA-N 0 1 290.685 2.642 20 30 CFEDMN C[C@H]1CC(N=Nc2ccncn2)CN(Cc2ccccc2)C1 ZINC000835002287 623927052 /nfs/dbraw/zinc/92/70/52/623927052.db2.gz UBOWSMUVRJRFAD-AWEZNQCLSA-N 0 1 295.390 2.787 20 30 CFEDMN C=CCN1CCC[C@@H](NC(=O)c2oc(C)cc2C)[C@H]1C ZINC000993145790 623952389 /nfs/dbraw/zinc/95/23/89/623952389.db2.gz JZSKBDSKKXQCLP-ZIAGYGMSSA-N 0 1 276.380 2.665 20 30 CFEDMN C=CCN1CCC[C@H](NC(=O)c2cscc2C)[C@@H]1C ZINC000993166938 623972197 /nfs/dbraw/zinc/97/21/97/623972197.db2.gz DMDXZFBAHRDVLQ-JSGCOSHPSA-N 0 1 278.421 2.825 20 30 CFEDMN C=CCN1CCC[C@@H](NC(=O)c2cscc2C)[C@H]1C ZINC000993166945 623972219 /nfs/dbraw/zinc/97/22/19/623972219.db2.gz DMDXZFBAHRDVLQ-TZMCWYRMSA-N 0 1 278.421 2.825 20 30 CFEDMN CC(C)CN(Cc1ccc(C#N)cc1)C(=O)CN1CCCC1 ZINC000915216319 623996983 /nfs/dbraw/zinc/99/69/83/623996983.db2.gz DYWNRGCJALCQDG-UHFFFAOYSA-N 0 1 299.418 2.639 20 30 CFEDMN CC(C)c1ccc([C@H](C)CC(=O)N[C@H]2CNC[C@@H]2C#N)cc1 ZINC000834490682 625693251 /nfs/dbraw/zinc/69/32/51/625693251.db2.gz WSANPGZNJLMPDL-COXVUDFISA-N 0 1 299.418 2.531 20 30 CFEDMN C#C[C@H]([NH2+]Cc1c([O-])cc(C)cc1Cl)C1CCOCC1 ZINC000827555620 624030256 /nfs/dbraw/zinc/03/02/56/624030256.db2.gz YBYJESDSNFIABY-HNNXBMFYSA-N 0 1 293.794 2.872 20 30 CFEDMN C=C(C)C[N@@H+]1CCC[C@H](NC(=O)c2csnc2C)[C@@H]1C ZINC000993217066 624044196 /nfs/dbraw/zinc/04/41/96/624044196.db2.gz HLYGGERJKZYZTQ-JSGCOSHPSA-N 0 1 293.436 2.610 20 30 CFEDMN C=C(C)CN1CCC[C@H](NC(=O)c2csnc2C)[C@@H]1C ZINC000993217066 624044209 /nfs/dbraw/zinc/04/42/09/624044209.db2.gz HLYGGERJKZYZTQ-JSGCOSHPSA-N 0 1 293.436 2.610 20 30 CFEDMN C[C@]1(C#N)CCN(Cc2c(O)ccc(Cl)c2F)C1 ZINC000827649032 624052023 /nfs/dbraw/zinc/05/20/23/624052023.db2.gz GUAXEDNRHIGCAP-CYBMUJFWSA-N 0 1 268.719 2.920 20 30 CFEDMN C=CCN1CCC[C@H](NC(=O)c2ccsc2C)[C@@H]1C ZINC000993323037 624096996 /nfs/dbraw/zinc/09/69/96/624096996.db2.gz FDDQXFWFWDSYJR-FZMZJTMJSA-N 0 1 278.421 2.825 20 30 CFEDMN C#CCC[N@H+](CCOC)Cc1cccc(Cl)c1[O-] ZINC000827823637 624103921 /nfs/dbraw/zinc/10/39/21/624103921.db2.gz SDXYPLZSHZPWRN-UHFFFAOYSA-N 0 1 267.756 2.517 20 30 CFEDMN C=CCN1CCC[C@@H](NC(=O)c2ccc(F)c(F)c2)[C@@H]1C ZINC000993445147 624145215 /nfs/dbraw/zinc/14/52/15/624145215.db2.gz JZMBKRFQNDWSFU-XHDPSFHLSA-N 0 1 294.345 2.734 20 30 CFEDMN C=CCN1CCC[C@H](NC(=O)c2nc(C)sc2C)[C@H]1C ZINC000993503971 624148196 /nfs/dbraw/zinc/14/81/96/624148196.db2.gz LVTKYSYDHNDALO-MFKMUULPSA-N 0 1 293.436 2.529 20 30 CFEDMN C=CCN1CCC[C@H](NC(=O)C23CCC(CC2)C3)[C@@H]1C ZINC000993502499 624148219 /nfs/dbraw/zinc/14/82/19/624148219.db2.gz IZCMLJFQWJWBSZ-BOLLXYOYSA-N 0 1 276.424 2.722 20 30 CFEDMN C=CCN1CCC[C@@H](NC(=O)C(C)(C)C2CCC2)[C@H]1C ZINC000993631530 624156367 /nfs/dbraw/zinc/15/63/67/624156367.db2.gz IMCBONDKUOIQSS-UKRRQHHQSA-N 0 1 278.440 2.968 20 30 CFEDMN CC#CCN1CCC[C@H](NC(=O)Cc2cccc(C)c2)[C@H]1C ZINC000993715105 624161123 /nfs/dbraw/zinc/16/11/23/624161123.db2.gz MMFADPTWYYNWDA-AEFFLSMTSA-N 0 1 298.430 2.530 20 30 CFEDMN CC#CCN1CCC[C@@H](NC(=O)c2ccccc2CC)[C@H]1C ZINC000993726671 624161082 /nfs/dbraw/zinc/16/10/82/624161082.db2.gz JPGBAWYUZLDVEH-CRAIPNDOSA-N 0 1 298.430 2.855 20 30 CFEDMN C=C(C)CN1CCC[C@H](NC(=O)c2cc(C)co2)[C@H]1C ZINC000993696684 624162111 /nfs/dbraw/zinc/16/21/11/624162111.db2.gz UJNYKAIBDUJSLW-KGLIPLIRSA-N 0 1 276.380 2.747 20 30 CFEDMN C=C(C)CN1CCC[C@@H](NC(=O)c2cc(C)co2)[C@@H]1C ZINC000993696685 624162437 /nfs/dbraw/zinc/16/24/37/624162437.db2.gz UJNYKAIBDUJSLW-UONOGXRCSA-N 0 1 276.380 2.747 20 30 CFEDMN CC#CCN1CCC[C@H](NC(=O)CC2CC(C)(C)C2)[C@H]1C ZINC000993740465 624163378 /nfs/dbraw/zinc/16/33/78/624163378.db2.gz HPFZKRDPIPQSRG-ZBFHGGJFSA-N 0 1 290.451 2.805 20 30 CFEDMN C=CCN1CCC[C@@H](NC(=O)c2occc2CC)[C@H]1C ZINC000993790995 624166030 /nfs/dbraw/zinc/16/60/30/624166030.db2.gz QRHUPMMZRQZCFC-TZMCWYRMSA-N 0 1 276.380 2.611 20 30 CFEDMN C=CCN1CCC[C@H](NC(=O)c2cc(C)ccc2F)[C@H]1C ZINC000993857225 624170923 /nfs/dbraw/zinc/17/09/23/624170923.db2.gz DEGFNRHGWXGVNT-CJNGLKHVSA-N 0 1 290.382 2.903 20 30 CFEDMN C=CCN1CCC[C@@H](NC(=O)c2cc(C)c(CC)o2)[C@@H]1C ZINC000994209681 624183092 /nfs/dbraw/zinc/18/30/92/624183092.db2.gz NYZVWTKOIFGSJP-UONOGXRCSA-N 0 1 290.407 2.919 20 30 CFEDMN Cc1cc(N=NCc2cc(Cl)ccc2O)nc(C)n1 ZINC000915967899 624196074 /nfs/dbraw/zinc/19/60/74/624196074.db2.gz LRWWLYNHAYFPHH-UHFFFAOYSA-N 0 1 276.727 2.898 20 30 CFEDMN CC(C)Oc1ccccc1C=NNCCN1CCCCC1 ZINC000915973371 624198786 /nfs/dbraw/zinc/19/87/86/624198786.db2.gz GSMJLORFQLDCLB-UHFFFAOYSA-N 0 1 289.423 2.883 20 30 CFEDMN CC(=NNCCN1CCCCC1)c1ccccc1C ZINC000915974149 624198833 /nfs/dbraw/zinc/19/88/33/624198833.db2.gz DUHXALQBJFSYSY-UHFFFAOYSA-N 0 1 259.397 2.795 20 30 CFEDMN c1ccc2c(c1)CSCC2=NNCCN1CCCCC1 ZINC000915974576 624199928 /nfs/dbraw/zinc/19/99/28/624199928.db2.gz IOMZPHXCMRWILZ-UHFFFAOYSA-N 0 1 289.448 2.713 20 30 CFEDMN CC(CCc1ccco1)=NNCCN1CCCCC1 ZINC000915975092 624199972 /nfs/dbraw/zinc/19/99/72/624199972.db2.gz ZXGLUKDJFGPCTD-UHFFFAOYSA-N 0 1 263.385 2.664 20 30 CFEDMN CC#CCN1CCC[C@H](NC(=O)c2cc(C)cc(C)c2)[C@H]1C ZINC000994299242 624275172 /nfs/dbraw/zinc/27/51/72/624275172.db2.gz XOIQZVPKPMYXSE-AEFFLSMTSA-N 0 1 298.430 2.909 20 30 CFEDMN CC#CCN1CCC[C@H](NC(=O)c2cccc(C)c2C)[C@@H]1C ZINC000994327980 624276188 /nfs/dbraw/zinc/27/61/88/624276188.db2.gz MFKXODTYRYHMTJ-WMZOPIPTSA-N 0 1 298.430 2.909 20 30 CFEDMN C=CC[N@@H+]1CCC[C@@H](NC(=O)c2ccc(C(F)F)o2)[C@H]1C ZINC000994354818 624277864 /nfs/dbraw/zinc/27/78/64/624277864.db2.gz UZUBLHBPVRSGAL-GHMZBOCLSA-N 0 1 298.333 2.986 20 30 CFEDMN C=CCN1CCC[C@@H](NC(=O)c2ccc(C(F)F)o2)[C@H]1C ZINC000994354818 624277868 /nfs/dbraw/zinc/27/78/68/624277868.db2.gz UZUBLHBPVRSGAL-GHMZBOCLSA-N 0 1 298.333 2.986 20 30 CFEDMN C=C(C)C[N@H+]1CC[C@H](NC(=O)c2ccc(C)cc2F)C1 ZINC001015745916 624278487 /nfs/dbraw/zinc/27/84/87/624278487.db2.gz KHYLACXJIUYOIT-ZDUSSCGKSA-N 0 1 276.355 2.514 20 30 CFEDMN C=C(C)CN1CC[C@H](NC(=O)c2ccc(C)cc2F)C1 ZINC001015745916 624278488 /nfs/dbraw/zinc/27/84/88/624278488.db2.gz KHYLACXJIUYOIT-ZDUSSCGKSA-N 0 1 276.355 2.514 20 30 CFEDMN CCCCCC(=O)C(C#N)C(=O)Nc1cccc(OC)c1 ZINC000916890107 624291253 /nfs/dbraw/zinc/29/12/53/624291253.db2.gz GVYRTZAWKUJYTO-CQSZACIVSA-N 0 1 288.347 2.923 20 30 CFEDMN CC#CCN1CCC[C@@H](NC(=O)Cc2ccccc2C)[C@H]1C ZINC000994400865 624292838 /nfs/dbraw/zinc/29/28/38/624292838.db2.gz NCRYWBIPBALMSX-SJLPKXTDSA-N 0 1 298.430 2.530 20 30 CFEDMN C=CCN1CCC[C@@H](NC(=O)c2cccn2C(C)C)[C@H]1C ZINC000994427038 624294698 /nfs/dbraw/zinc/29/46/98/624294698.db2.gz UQJZITTZDKLTLV-HUUCEWRRSA-N 0 1 289.423 2.838 20 30 CFEDMN C=CCN1CCC[C@H](NC(=O)c2ccc(CF)cc2)[C@@H]1C ZINC000994498886 624313985 /nfs/dbraw/zinc/31/39/85/624313985.db2.gz UTVWPAAMRJSTJZ-BBRMVZONSA-N 0 1 290.382 2.925 20 30 CFEDMN C=CCN(CC(=O)NCc1ccc(CC)s1)C(C)C ZINC000917167987 624320551 /nfs/dbraw/zinc/32/05/51/624320551.db2.gz KZJZXPUPAYMTEE-UHFFFAOYSA-N 0 1 280.437 2.823 20 30 CFEDMN Cc1cccc(CON=C(N)c2ccc(N(C)C)cc2)c1 ZINC000918185262 624425862 /nfs/dbraw/zinc/42/58/62/624425862.db2.gz HOYNQXKHURZQAU-UHFFFAOYSA-N 0 1 283.375 2.898 20 30 CFEDMN CCCCCCC[N@H+]1CCC[C@H](c2n[n-]c(=O)o2)C1 ZINC000829425350 624432288 /nfs/dbraw/zinc/43/22/88/624432288.db2.gz FAKMHKIESIBENU-LBPRGKRZSA-N 0 1 267.373 2.925 20 30 CFEDMN Fc1cc2[nH]c([N-]N=Cc3cscn3)[nH+]c2cc1F ZINC000918710756 624481315 /nfs/dbraw/zinc/48/13/15/624481315.db2.gz BTRWEBUZSGZQJP-UHFFFAOYSA-N 0 1 279.275 2.744 20 30 CFEDMN COc1ccc2cc(C(=O)N=C3C[C@H](C)ON3)sc2c1 ZINC000867063486 624495920 /nfs/dbraw/zinc/49/59/20/624495920.db2.gz ZMRPDEJBDJPQBT-QMMMGPOBSA-N 0 1 290.344 2.762 20 30 CFEDMN C#CC[C@@H]1CCCN(CC(=O)N2c3ccccc3C[C@@H]2C)C1 ZINC000829768574 624528203 /nfs/dbraw/zinc/52/82/03/624528203.db2.gz GNETYCFNXXWXAJ-JKSUJKDBSA-N 0 1 296.414 2.700 20 30 CFEDMN C#CC[C@@H]1CCCN(Cc2nc3ccccc3[nH]2)C1 ZINC000829774163 624531087 /nfs/dbraw/zinc/53/10/87/624531087.db2.gz MPVSUSUPRNGVLX-CYBMUJFWSA-N 0 1 253.349 2.798 20 30 CFEDMN C#CC[C@@H]1CCCN(Cc2ccc(F)cc2C#N)C1 ZINC000829784740 624536416 /nfs/dbraw/zinc/53/64/16/624536416.db2.gz MSPPZESDHHFCRR-CYBMUJFWSA-N 0 1 256.324 2.933 20 30 CFEDMN C#CC[C@H]1CCCN(Cc2ccc(F)cc2C#N)C1 ZINC000829784741 624536741 /nfs/dbraw/zinc/53/67/41/624536741.db2.gz MSPPZESDHHFCRR-ZDUSSCGKSA-N 0 1 256.324 2.933 20 30 CFEDMN C#CCN(C(=O)c1ccc(CN2CCCCC2)o1)C(C)C ZINC000830156056 624648392 /nfs/dbraw/zinc/64/83/92/624648392.db2.gz ZPGUQEBNPKFPPP-UHFFFAOYSA-N 0 1 288.391 2.749 20 30 CFEDMN C#CC1CCN(CC(=O)N[C@H]2CCCc3ccccc32)CC1 ZINC000830316208 624706176 /nfs/dbraw/zinc/70/61/76/624706176.db2.gz IPEZZUZHMLXFOO-SFHVURJKSA-N 0 1 296.414 2.525 20 30 CFEDMN C#CC1CCN(Cc2cc(C(=O)OC)sc2C)CC1 ZINC000830329738 624709830 /nfs/dbraw/zinc/70/98/30/624709830.db2.gz DREWXRWTCBLCIY-UHFFFAOYSA-N 0 1 277.389 2.688 20 30 CFEDMN CCn1cc(C(C)=NNc2nc3ccccc3[nH]2)cn1 ZINC000920987089 624794734 /nfs/dbraw/zinc/79/47/34/624794734.db2.gz ROWCARJYIJSCES-UHFFFAOYSA-N 0 1 268.324 2.615 20 30 CFEDMN CCCCCC(=O)OCC(=O)[C@@H](C#N)c1nc(C)cs1 ZINC000921247641 624829355 /nfs/dbraw/zinc/82/93/55/624829355.db2.gz JOQRVYZEFGQQIB-LLVKDONJSA-N 0 1 294.376 2.751 20 30 CFEDMN CCCCCC(=O)OCC(=O)C(C#N)c1nc(C)cs1 ZINC000921247641 624829357 /nfs/dbraw/zinc/82/93/57/624829357.db2.gz JOQRVYZEFGQQIB-LLVKDONJSA-N 0 1 294.376 2.751 20 30 CFEDMN Cc1cscc1C(=O)Nc1cc(C#N)ccc1O ZINC000175419394 624951890 /nfs/dbraw/zinc/95/18/90/624951890.db2.gz FEGQVPOGCFYASC-UHFFFAOYSA-N 0 1 258.302 2.886 20 30 CFEDMN Cc1cc(C)c(C(=O)Nc2cc(C#N)ccc2O)o1 ZINC000175419419 624952158 /nfs/dbraw/zinc/95/21/58/624952158.db2.gz SMLMJTJKONYOKW-UHFFFAOYSA-N 0 1 256.261 2.726 20 30 CFEDMN COc1cc(C#N)ccc1CN(C)Cc1ccccc1O ZINC000121397066 624975598 /nfs/dbraw/zinc/97/55/98/624975598.db2.gz FYDXNVHLIRRPAC-UHFFFAOYSA-N 0 1 282.343 2.904 20 30 CFEDMN CO[C@@H](C(=O)Nc1cc(C#N)ccc1O)C1CCCCC1 ZINC000831272356 624981052 /nfs/dbraw/zinc/98/10/52/624981052.db2.gz VMCNXLDHTWIVIQ-OAHLLOKOSA-N 0 1 288.347 2.798 20 30 CFEDMN Cc1c(C(=O)/C=C/c2cc(F)c(O)c(F)c2)cnn1C ZINC000179861431 624982123 /nfs/dbraw/zinc/98/21/23/624982123.db2.gz JDGNGUUCXIFIEI-ONEGZZNKSA-N 0 1 278.258 2.608 20 30 CFEDMN C[C@H](CC#N)NCCc1ccccc1Br ZINC000068615290 625015230 /nfs/dbraw/zinc/01/52/30/625015230.db2.gz OFAQSVFEGCDFKA-SNVBAGLBSA-N 0 1 267.170 2.883 20 30 CFEDMN C=C(C)CN(C)Cc1cc(OC)ccc1OCOC ZINC000181048521 625057683 /nfs/dbraw/zinc/05/76/83/625057683.db2.gz BPNUOZQYYLFULX-UHFFFAOYSA-N 0 1 265.353 2.686 20 30 CFEDMN COC(=O)[C@@H](c1ccc(C#N)cc1)N1C[C@@H]2CCCC[C@@H]2C1 ZINC000831618018 625073457 /nfs/dbraw/zinc/07/34/57/625073457.db2.gz OUYRFRJNJNGALU-IXDOHACOSA-N 0 1 298.386 2.894 20 30 CFEDMN COC(=O)C1(C#N)CCN([C@H](C)c2ccccc2)CC1 ZINC000831687610 625097157 /nfs/dbraw/zinc/09/71/57/625097157.db2.gz TWFVRPQXRIPBPJ-CYBMUJFWSA-N 0 1 272.348 2.526 20 30 CFEDMN COC(=O)C1(C#N)CCN(CCCC2CCCC2)CC1 ZINC000831694612 625098266 /nfs/dbraw/zinc/09/82/66/625098266.db2.gz GHIBIMDITXDPNC-UHFFFAOYSA-N 0 1 278.396 2.736 20 30 CFEDMN COC(=O)C1(C#N)CCN(CC/C=C\c2ccccc2)CC1 ZINC000831698979 625099628 /nfs/dbraw/zinc/09/96/28/625099628.db2.gz FKNFYGXHPDPGKW-UITAMQMPSA-N 0 1 298.386 2.869 20 30 CFEDMN O=C(/C=C/c1cc(F)c(O)c(F)c1)c1ccncc1 ZINC000182240301 625272048 /nfs/dbraw/zinc/27/20/48/625272048.db2.gz NWUAIPZZZSHRLU-OWOJBTEDSA-N 0 1 261.227 2.962 20 30 CFEDMN CC(C)C(=O)N1C[C@@H](NCc2ccccc2C#N)C(C)(C)C1 ZINC000995485228 625722628 /nfs/dbraw/zinc/72/26/28/625722628.db2.gz NCVOISMHPJJRSB-MRXNPFEDSA-N 0 1 299.418 2.541 20 30 CFEDMN C=C(Cl)CN[C@H]1CN(C(=O)/C=C\C2CC2)CC1(C)C ZINC000995601247 625743225 /nfs/dbraw/zinc/74/32/25/625743225.db2.gz UYYJAOWJOOWNGC-FWWRYZNZSA-N 0 1 282.815 2.532 20 30 CFEDMN C=C(Cl)CN[C@H]1CN(C(=O)[C@H]2CC2(C)C)CC1(C)C ZINC000995682043 625786242 /nfs/dbraw/zinc/78/62/42/625786242.db2.gz UWDVNFAZGSAURT-NEPJUHHUSA-N 0 1 284.831 2.612 20 30 CFEDMN C=C(Cl)CN[C@@H]1CN(C(=O)CC2(C)CC2)CC1(C)C ZINC000996046937 625870110 /nfs/dbraw/zinc/87/01/10/625870110.db2.gz FYPYOOWGMWKDGZ-GFCCVEGCSA-N 0 1 284.831 2.756 20 30 CFEDMN C=C(Cl)CN[C@@H]1CN(C(=O)[C@@H]2C[C@H]2C2CC2)CC1(C)C ZINC000996396909 625901534 /nfs/dbraw/zinc/90/15/34/625901534.db2.gz XSXYRXBPHOXTFJ-BFHYXJOUSA-N 0 1 296.842 2.612 20 30 CFEDMN C=C[C@@H]1OCC[C@H]1N[C@@H](C)c1cccnc1Cl ZINC000834888595 625910253 /nfs/dbraw/zinc/91/02/53/625910253.db2.gz OHYIZKRJDVAYER-WCQGTBRESA-N 0 1 252.745 2.729 20 30 CFEDMN CC(C)COc1ccccc1CN=Nc1cnn(C)c1 ZINC000834975078 625940539 /nfs/dbraw/zinc/94/05/39/625940539.db2.gz WXEIHZFMDUKALS-UHFFFAOYSA-N 0 1 272.352 2.901 20 30 CFEDMN Nc1ccc2c(c1)CCCC2=NNCCc1ccncc1 ZINC000834976197 625941394 /nfs/dbraw/zinc/94/13/94/625941394.db2.gz JDEUIQKOOMXHEW-UHFFFAOYSA-N 0 1 280.375 2.537 20 30 CFEDMN C[C@@H]1C(N=Nc2ccncn2)CCCN1Cc1ccccc1 ZINC000835002380 625951024 /nfs/dbraw/zinc/95/10/24/625951024.db2.gz VOIWBSDBCZHRFO-CQSZACIVSA-N 0 1 295.390 2.929 20 30 CFEDMN CC(=NOC(C)C)c1ccc(N2CCOCC2)cc1 ZINC000835003784 625951939 /nfs/dbraw/zinc/95/19/39/625951939.db2.gz CGKULRIQHJOWIU-UHFFFAOYSA-N 0 1 262.353 2.672 20 30 CFEDMN CCOC(=O)C(C)(C)ON=C(C)c1ccc(N(C)C)cc1 ZINC000835004641 625952649 /nfs/dbraw/zinc/95/26/49/625952649.db2.gz ZSVKFAAQWWEALI-UHFFFAOYSA-N 0 1 292.379 2.835 20 30 CFEDMN Cc1ccc(CNN=Cc2cnccc2N(C)C)cc1 ZINC000835008678 625954879 /nfs/dbraw/zinc/95/48/79/625954879.db2.gz MRZJKYHJLSQHER-UHFFFAOYSA-N 0 1 268.364 2.580 20 30 CFEDMN CCCCCCCCCCN1CCn2c(n[nH]c2=O)C1 ZINC000771813653 625983664 /nfs/dbraw/zinc/98/36/64/625983664.db2.gz VTMOXLJZMAEJIT-UHFFFAOYSA-N 0 1 280.416 2.940 20 30 CFEDMN C=CCC[C@@H](NC(=O)NC[C@@H]1CCN1C)c1ccccc1 ZINC000921562622 625989393 /nfs/dbraw/zinc/98/93/93/625989393.db2.gz PYAPVNRLZAIRQC-JKSUJKDBSA-N 0 1 287.407 2.697 20 30 CFEDMN C=C(Cl)CN[C@@H]1CCCN(C(=O)c2ccoc2C)C1 ZINC000998478242 626052963 /nfs/dbraw/zinc/05/29/63/626052963.db2.gz DDFKHYQLMLDWQG-GFCCVEGCSA-N 0 1 282.771 2.535 20 30 CFEDMN C=C(Cl)CN[C@H]1CCCN(C(=O)CC(C)(C)C)C1 ZINC000998536235 626055305 /nfs/dbraw/zinc/05/53/05/626055305.db2.gz OKVIIMMHDACSQF-LBPRGKRZSA-N 0 1 272.820 2.756 20 30 CFEDMN C=CC[N@H+]1CC[C@H](NC(=O)c2cccc3ccccc32)C1 ZINC001016148806 626073783 /nfs/dbraw/zinc/07/37/83/626073783.db2.gz DTXCPZZJADZPRT-HNNXBMFYSA-N 0 1 280.371 2.830 20 30 CFEDMN C=CCN1CC[C@H](NC(=O)c2cccc3ccccc32)C1 ZINC001016148806 626073784 /nfs/dbraw/zinc/07/37/84/626073784.db2.gz DTXCPZZJADZPRT-HNNXBMFYSA-N 0 1 280.371 2.830 20 30 CFEDMN C=C(Cl)CN[C@H]1CCCN(C(=O)C2(C(C)C)CC2)C1 ZINC001000139230 626090222 /nfs/dbraw/zinc/09/02/22/626090222.db2.gz WVAUAYTYCJFEMI-ZDUSSCGKSA-N 0 1 284.831 2.756 20 30 CFEDMN C#CCN1CC=C(CNC(=O)c2ccccc2C(C)C)CC1 ZINC001000756217 626131037 /nfs/dbraw/zinc/13/10/37/626131037.db2.gz DNOHMLKBNCEVNY-UHFFFAOYSA-N 0 1 296.414 2.805 20 30 CFEDMN C=C(Cl)CN[C@H]1CCCN(C(=O)c2ccc(C)cc2)C1 ZINC001000775348 626131638 /nfs/dbraw/zinc/13/16/38/626131638.db2.gz CWEHVMNVPLISPS-HNNXBMFYSA-N 0 1 292.810 2.942 20 30 CFEDMN CC#CCN1CC=C(CNC(=O)[C@@H]2CCCC[C@@H]2C)CC1 ZINC001001099748 626143424 /nfs/dbraw/zinc/14/34/24/626143424.db2.gz LFMMQKQHCWVKGM-DOTOQJQBSA-N 0 1 288.435 2.584 20 30 CFEDMN CC#CCN1CC=C(CNC(=O)[C@H]2CCCC[C@H]2C)CC1 ZINC001001099753 626143848 /nfs/dbraw/zinc/14/38/48/626143848.db2.gz LFMMQKQHCWVKGM-WBVHZDCISA-N 0 1 288.435 2.584 20 30 CFEDMN COc1ccc(CNCc2ccnn2C2CCC2)cc1C#N ZINC000921917345 626177233 /nfs/dbraw/zinc/17/72/33/626177233.db2.gz NGMVCGYDJGWZFJ-UHFFFAOYSA-N 0 1 296.374 2.778 20 30 CFEDMN COc1ccc(CNCc2cccc3c2OCC3)cc1C#N ZINC000921917976 626177401 /nfs/dbraw/zinc/17/74/01/626177401.db2.gz VRINQRKNXUIDOQ-UHFFFAOYSA-N 0 1 294.354 2.792 20 30 CFEDMN N#Cc1cc(CN[C@]2(CO)CCc3ccccc32)cs1 ZINC000921918194 626177790 /nfs/dbraw/zinc/17/77/90/626177790.db2.gz JOVMBJCOOFGWTL-INIZCTEOSA-N 0 1 284.384 2.543 20 30 CFEDMN C[C@@H]1Cc2cc(CNCc3ccc(C#N)cn3)ccc2O1 ZINC000922034689 626198948 /nfs/dbraw/zinc/19/89/48/626198948.db2.gz NKCILNYOYBGGNN-GFCCVEGCSA-N 0 1 279.343 2.566 20 30 CFEDMN COc1cc(CNCc2cccc3c2OCC3)ccc1C#N ZINC000922142149 626216805 /nfs/dbraw/zinc/21/68/05/626216805.db2.gz WWQDGHYHXDRWIW-UHFFFAOYSA-N 0 1 294.354 2.792 20 30 CFEDMN C#Cc1cccc(CNCc2cnn(C3CCC3)c2)c1 ZINC000922168454 626229220 /nfs/dbraw/zinc/22/92/20/626229220.db2.gz QWFZAHNUIGTQQW-UHFFFAOYSA-N 0 1 265.360 2.879 20 30 CFEDMN CC#CCN1CCC(NC(=O)CC2CCCCCC2)CC1 ZINC001003701764 626249033 /nfs/dbraw/zinc/24/90/33/626249033.db2.gz WUPGSPHETOOYFD-UHFFFAOYSA-N 0 1 290.451 2.951 20 30 CFEDMN CC#CCN1CCC(NC(=O)[C@H]2CCCC[C@H]2CC)CC1 ZINC001003878568 626263353 /nfs/dbraw/zinc/26/33/53/626263353.db2.gz LUAADQUXYYWPKQ-WBVHZDCISA-N 0 1 290.451 2.807 20 30 CFEDMN C=CCN(Cc1ccc(OC)cc1)C[C@H](O)c1ccccn1 ZINC000851733318 634497702 /nfs/dbraw/zinc/49/77/02/634497702.db2.gz RHQNNDGCLYCLBO-SFHVURJKSA-N 0 1 298.386 2.812 20 30 CFEDMN CCCCCCCC(=O)N1CCN(CC(C)(C)O)C[C@H]1C ZINC000186960881 626408026 /nfs/dbraw/zinc/40/80/26/626408026.db2.gz UTDDRMJGQPCOPM-OAHLLOKOSA-N 0 1 298.471 2.651 20 30 CFEDMN C#CCN1CCC(N(C)C(=O)[C@H]2CCC[C@@H]2CCC)CC1 ZINC001005629151 626418557 /nfs/dbraw/zinc/41/85/57/626418557.db2.gz PPBHSQUPXYCQRA-RDJZCZTQSA-N 0 1 290.451 2.759 20 30 CFEDMN C=CCN(CCOC(F)F)Cc1cccc(C#N)c1 ZINC000851738463 634502613 /nfs/dbraw/zinc/50/26/13/634502613.db2.gz HOWPNTKFVOIRJA-UHFFFAOYSA-N 0 1 266.291 2.785 20 30 CFEDMN CC#CCN1CCC(N(C)C(=O)CC2CC(C)(C)C2)CC1 ZINC001005868826 626443110 /nfs/dbraw/zinc/44/31/10/626443110.db2.gz DVBDMRFMCYICKZ-UHFFFAOYSA-N 0 1 290.451 2.759 20 30 CFEDMN CC#CCN1CCC(N(C)C(=O)[C@]23C[C@H]2CCCC3)CC1 ZINC001005945765 626452965 /nfs/dbraw/zinc/45/29/65/626452965.db2.gz HIALMRZJHAXUFV-CRAIPNDOSA-N 0 1 288.435 2.513 20 30 CFEDMN CC[C@@]1(C(=O)[O-])CCC[N@@H+](CC2CCC(C#N)CC2)C1 ZINC000923472480 626474795 /nfs/dbraw/zinc/47/47/95/626474795.db2.gz NZJQJIPRUQVECS-ZBCRRDGASA-N 0 1 278.396 2.893 20 30 CFEDMN CC[C@@]1(C(=O)[O-])CCC[N@@H+](Cc2ccc(C)c(C#N)c2)C1 ZINC000923471283 626474943 /nfs/dbraw/zinc/47/49/43/626474943.db2.gz LHDCFKQBYUGNES-QGZVFWFLSA-N 0 1 286.375 2.944 20 30 CFEDMN CC#CCN1CCC(N(C)C(=O)[C@H](C)c2ccccc2)CC1 ZINC001006310934 626482803 /nfs/dbraw/zinc/48/28/03/626482803.db2.gz RZJMSICXOXTFMT-MRXNPFEDSA-N 0 1 298.430 2.736 20 30 CFEDMN CC/C(C)=C/C(=O)OCC(=O)[C@H](C#N)c1nc(C)cs1 ZINC000838042346 626484503 /nfs/dbraw/zinc/48/45/03/626484503.db2.gz WPCWKWODINVXEJ-NKLKJHRZSA-N 0 1 292.360 2.527 20 30 CFEDMN CC/C(C)=C/C(=O)OCC(=O)C(C#N)c1nc(C)cs1 ZINC000838042346 626484504 /nfs/dbraw/zinc/48/45/04/626484504.db2.gz WPCWKWODINVXEJ-NKLKJHRZSA-N 0 1 292.360 2.527 20 30 CFEDMN N#CC(C(=O)[C@@H]1C[C@H]2CC[C@@H]1O2)c1nccc2ccccc21 ZINC000838868403 626512255 /nfs/dbraw/zinc/51/22/55/626512255.db2.gz MINPZPGIAZJJGL-OJLVUWQFSA-N 0 1 292.338 2.979 20 30 CFEDMN CC1(CCCCN2CCC[C@](C)(C#N)C2)OCCO1 ZINC000838928831 626516033 /nfs/dbraw/zinc/51/60/33/626516033.db2.gz BKZMDNAHUUTCBX-CQSZACIVSA-N 0 1 266.385 2.545 20 30 CFEDMN N#C[C@H]1CCC[C@@H](OC(=O)c2ccc(-c3nnc[nH]3)cc2)C1 ZINC000839049265 626521497 /nfs/dbraw/zinc/52/14/97/626521497.db2.gz FUQYENJXFPCKOP-SMDDNHRTSA-N 0 1 296.330 2.711 20 30 CFEDMN CC#CCN1CCC([C@H](O)c2cc(F)ccc2F)CC1 ZINC000839154990 626526575 /nfs/dbraw/zinc/52/65/75/626526575.db2.gz KGDQHSCPVLEAKP-INIZCTEOSA-N 0 1 279.330 2.734 20 30 CFEDMN N#Cc1cccc(C=NN=c2[nH]c3ccccc3[nH]2)c1 ZINC000839387996 626534915 /nfs/dbraw/zinc/53/49/15/626534915.db2.gz VXOACHXDMRGUSK-UHFFFAOYSA-N 0 1 261.288 2.881 20 30 CFEDMN N#CC1(CCN2CCCC3(C2)OCCO3)CCCCC1 ZINC000839525341 626538111 /nfs/dbraw/zinc/53/81/11/626538111.db2.gz SLXHXTNLYODNJM-UHFFFAOYSA-N 0 1 278.396 2.689 20 30 CFEDMN O=C(/C=C\c1ccc(-n2cncn2)cc1)c1ccccc1O ZINC000757475230 626553161 /nfs/dbraw/zinc/55/31/61/626553161.db2.gz QROUIKADSDHBGC-YFHOEESVSA-N 0 1 291.310 2.869 20 30 CFEDMN C[C@H]1CC(N=Nc2ncccn2)CN1Cc1ccccc1 ZINC000757585546 626556024 /nfs/dbraw/zinc/55/60/24/626556024.db2.gz FFJAZUIZVLJLNX-ZDUSSCGKSA-N 0 1 281.363 2.539 20 30 CFEDMN CC[C@H](C)[C@H]1CCCCN1Cn1ccc(C)c(C#N)c1=O ZINC000758224310 626583854 /nfs/dbraw/zinc/58/38/54/626583854.db2.gz TVLBVAAMXNBFJF-XJKSGUPXSA-N 0 1 287.407 2.887 20 30 CFEDMN C#CCCCCNC(=O)c1ccc(Nc2ccncc2)cc1 ZINC000758639728 626600657 /nfs/dbraw/zinc/60/06/57/626600657.db2.gz QRNHLAXZAIURHG-UHFFFAOYSA-N 0 1 293.370 2.780 20 30 CFEDMN C#CCCCC(=O)N1C[C@H](C)N(Cc2ccccc2)C[C@H]1C ZINC000758911869 626617184 /nfs/dbraw/zinc/61/71/84/626617184.db2.gz WUXBLDCRPUIZNA-DLBZAZTESA-N 0 1 298.430 2.911 20 30 CFEDMN CC(=[NH+][N-]c1ccc(C)nn1)c1ccc(F)cc1N(C)C ZINC000759194803 626635158 /nfs/dbraw/zinc/63/51/58/626635158.db2.gz JKJIYSAHAYWXJY-UHFFFAOYSA-N 0 1 287.342 2.826 20 30 CFEDMN CCCCCCNC(=O)[C@H](C#N)C(=O)CC1(C)CC1 ZINC000759430926 626657861 /nfs/dbraw/zinc/65/78/61/626657861.db2.gz WLWOXPSGSRCWDE-GFCCVEGCSA-N 0 1 264.369 2.582 20 30 CFEDMN Fc1c(Cl)cccc1C=NNCCN1CCCCC1 ZINC000759654309 626680069 /nfs/dbraw/zinc/68/00/69/626680069.db2.gz ZXXYHMOTQBWBRS-UHFFFAOYSA-N 0 1 283.778 2.889 20 30 CFEDMN Cc1cccc(NC(=O)C(C#N)C(=O)[C@H]2CC23CCC3)c1 ZINC000759835744 626694635 /nfs/dbraw/zinc/69/46/35/626694635.db2.gz UUOWXGYTQMHAIN-UONOGXRCSA-N 0 1 282.343 2.833 20 30 CFEDMN CCc1ccc(CN=Nc2ccccc2S(C)(=O)=O)o1 ZINC000760258290 626725451 /nfs/dbraw/zinc/72/54/51/626725451.db2.gz GYRHKSHYNJWFIN-UHFFFAOYSA-N 0 1 292.360 2.692 20 30 CFEDMN N#C[C@H](C(=O)[C@@H]1C[C@@H]1c1cc(F)ccc1F)c1ccncn1 ZINC000760331689 626735312 /nfs/dbraw/zinc/73/53/12/626735312.db2.gz AXHJNJFLJVQYHG-RTXFEEFZSA-N 0 1 299.280 2.735 20 30 CFEDMN N#CC(C(=O)CCCOc1ccc(F)cc1)c1ccncn1 ZINC000760358992 626739751 /nfs/dbraw/zinc/73/97/51/626739751.db2.gz RMYKOIYAWJIRLJ-AWEZNQCLSA-N 0 1 299.305 2.651 20 30 CFEDMN N#CC(C(=O)C=Cc1ccc2[nH]ccc2c1)c1ccncn1 ZINC000760358464 626739776 /nfs/dbraw/zinc/73/97/76/626739776.db2.gz PHQQOVDKZNHLGX-CTGSTSKSSA-N 0 1 288.310 2.848 20 30 CFEDMN CCOC(=O)c1csc(C(C#N)C(=O)C2=CCCC2)n1 ZINC000761111503 626806282 /nfs/dbraw/zinc/80/62/82/626806282.db2.gz PSJDXWNSHRITTA-JTQLQIEISA-N 0 1 290.344 2.606 20 30 CFEDMN Cc1ncc(C(C)N=Nc2ccc(F)cn2)s1 ZINC000761259779 626818879 /nfs/dbraw/zinc/81/88/79/626818879.db2.gz XDSKPIMBZZMMRQ-UHFFFAOYSA-N 0 1 250.302 2.822 20 30 CFEDMN C[C@H]1CC(N=Nc2ccc([N+](=O)[O-])cc2Cl)CN1C ZINC000761811291 626860578 /nfs/dbraw/zinc/86/05/78/626860578.db2.gz YNRMZVVJWSSGOU-QMMMGPOBSA-N 0 1 282.731 2.740 20 30 CFEDMN Cn1cc(N=NCc2ccccc2OC(F)(F)F)cn1 ZINC000761865013 626866452 /nfs/dbraw/zinc/86/64/52/626866452.db2.gz JXWJDKGANQVKGG-UHFFFAOYSA-N 0 1 284.241 2.765 20 30 CFEDMN Cc1cc(CN=Nc2cnn(C)c2)cc2cccnc12 ZINC000761872019 626867850 /nfs/dbraw/zinc/86/78/50/626867850.db2.gz YVKBQRIIPFJTQO-UHFFFAOYSA-N 0 1 265.320 2.723 20 30 CFEDMN Cn1cc(NN=C2CC(C)(C)c3ccccc32)cn1 ZINC000761884273 626870265 /nfs/dbraw/zinc/87/02/65/626870265.db2.gz IENRTLORZONFFN-UHFFFAOYSA-N 0 1 254.337 2.918 20 30 CFEDMN Cc1ccc(-c2cc(C(=O)OC3(C#N)CCC3)[nH]n2)o1 ZINC000762101178 626890702 /nfs/dbraw/zinc/89/07/02/626890702.db2.gz WUQWKYFUSJOCIU-UHFFFAOYSA-N 0 1 271.276 2.581 20 30 CFEDMN CCC1(CC)C(=NNCCN2CCCCC2)C[C@H]1OC ZINC000762605712 626925989 /nfs/dbraw/zinc/92/59/89/626925989.db2.gz XNQPGHLBNTUZDO-OAHLLOKOSA-N 0 1 281.444 2.643 20 30 CFEDMN C#Cc1ccc(C(=O)Nc2cc(Cl)c(O)cc2F)nc1 ZINC000805261478 626954426 /nfs/dbraw/zinc/95/44/26/626954426.db2.gz BKTNQVCBYKHYBC-UHFFFAOYSA-N 0 1 290.681 2.813 20 30 CFEDMN CN(CCC#N)c1ccc(CNCc2ccc(F)cn2)cc1 ZINC000763519502 626993551 /nfs/dbraw/zinc/99/35/51/626993551.db2.gz RYYZTUGPSXCOHR-UHFFFAOYSA-N 0 1 298.365 2.860 20 30 CFEDMN C=CCN(Cc1cccs1)C[C@@H]1CC2(CC2)C(=O)O1 ZINC000763648873 627002645 /nfs/dbraw/zinc/00/26/45/627002645.db2.gz JWRZPXKVIWQLSV-LBPRGKRZSA-N 0 1 277.389 2.832 20 30 CFEDMN C#CCN(C[C@@H](O)COc1cccc2ccccc21)C1CC1 ZINC000763958224 627026212 /nfs/dbraw/zinc/02/62/12/627026212.db2.gz SJZUVBKVEOCIKB-QGZVFWFLSA-N 0 1 295.382 2.677 20 30 CFEDMN C#CCN1CCC[C@@H]1COC(=O)c1cc(C)c(F)c(C)c1 ZINC000764626007 627077515 /nfs/dbraw/zinc/07/75/15/627077515.db2.gz PLIBTPGXXSRJLM-OAHLLOKOSA-N 0 1 289.350 2.697 20 30 CFEDMN Oc1c(F)cc(C=NOCC(F)(F)F)cc1F ZINC000764845313 627101175 /nfs/dbraw/zinc/10/11/75/627101175.db2.gz SUEDULOBBKEJFK-UHFFFAOYSA-N 0 1 255.142 2.583 20 30 CFEDMN Cc1cccc2nc(CN=Cc3cccc(O)c3O)[nH]c21 ZINC000765498329 627143145 /nfs/dbraw/zinc/14/31/45/627143145.db2.gz AMYNNQIKOJKLRR-IUXPMGMMSA-N 0 1 281.315 2.902 20 30 CFEDMN Cc1cc(NN=Cc2ncccc2C(F)(F)F)nc(C)n1 ZINC000765573464 627147582 /nfs/dbraw/zinc/14/75/82/627147582.db2.gz LEIDYZAMUCLVPA-UHFFFAOYSA-N 0 1 295.268 2.953 20 30 CFEDMN Clc1cccc(CNN=C2CCN3CCC[C@@H]23)c1 ZINC000765582311 627148992 /nfs/dbraw/zinc/14/89/92/627148992.db2.gz WNDJQAIPFGDXJR-AWEZNQCLSA-N 0 1 263.772 2.654 20 30 CFEDMN CC(=NNc1ccc2ccccc2n1)c1ccnn1C ZINC000765994178 627169715 /nfs/dbraw/zinc/16/97/15/627169715.db2.gz RNHBCUSTVICQOG-UHFFFAOYSA-N 0 1 265.320 2.804 20 30 CFEDMN COC(C)(C)CC=Nn1cnnc1-c1ccccc1 ZINC000766001001 627170699 /nfs/dbraw/zinc/17/06/99/627170699.db2.gz CTZLNEUPBPTARB-UHFFFAOYSA-N 0 1 258.325 2.594 20 30 CFEDMN C#CCOCCN(Cc1ccco1)Cc1ccccc1O ZINC000851841164 634553084 /nfs/dbraw/zinc/55/30/84/634553084.db2.gz NOLXKYFEFSHRCX-UHFFFAOYSA-N 0 1 285.343 2.637 20 30 CFEDMN C[C@@H]1CC(=NNCCN2CCCCC2)CC[C@@H]1C ZINC000767370381 627246018 /nfs/dbraw/zinc/24/60/18/627246018.db2.gz FINNBXYLSCXGEK-UONOGXRCSA-N 0 1 251.418 2.874 20 30 CFEDMN COc1ccc(NN=Cc2occc2C)c([N+](=O)[O-])c1 ZINC000767803758 627286646 /nfs/dbraw/zinc/28/66/46/627286646.db2.gz QNDDNCKIQCEYPR-UHFFFAOYSA-N 0 1 275.264 2.951 20 30 CFEDMN COc1ccc(NN=Cc2ccc(C)cn2)c([N+](=O)[O-])c1 ZINC000767801548 627286663 /nfs/dbraw/zinc/28/66/63/627286663.db2.gz OXLLKXJYAICUBN-UHFFFAOYSA-N 0 1 286.291 2.753 20 30 CFEDMN Cc1cc(C)n(-c2nncn2N=C[C@@H]2CCC[C@@H](C)C2)n1 ZINC000768355864 627336315 /nfs/dbraw/zinc/33/63/15/627336315.db2.gz UYWROFMNKFGQOG-BXUZGUMPSA-N 0 1 286.383 2.741 20 30 CFEDMN C[C@@H]1CN(Cc2ccc(C#N)cc2C(F)(F)F)CCN1C ZINC000851876836 634568843 /nfs/dbraw/zinc/56/88/43/634568843.db2.gz PLJSTYHBRFJARH-LLVKDONJSA-N 0 1 297.324 2.713 20 30 CFEDMN C=C(C)[C@@H](CO)N1CCC(O)(c2ccccc2Cl)CC1 ZINC000769816091 627477890 /nfs/dbraw/zinc/47/78/90/627477890.db2.gz QXVZLFCVTASNRR-OAHLLOKOSA-N 0 1 295.810 2.560 20 30 CFEDMN C[C@H]1CC(N=Nc2ccc(F)c([N+](=O)[O-])c2)CN1C1CC1 ZINC000769828466 627479906 /nfs/dbraw/zinc/47/99/06/627479906.db2.gz IADLXVFDQNKJQS-VIFPVBQESA-N 0 1 292.314 2.758 20 30 CFEDMN C=C(Br)CN1CCC[C@]1(CO)CCC ZINC000769912518 627487149 /nfs/dbraw/zinc/48/71/49/627487149.db2.gz FSRVHMXOJJNAAD-NSHDSACASA-N 0 1 262.191 2.522 20 30 CFEDMN N#C[C@H]1CC[C@H]([NH2+]Cc2cc(Br)ccc2[O-])C1 ZINC000769945168 627489513 /nfs/dbraw/zinc/48/95/13/627489513.db2.gz QZTPCLULCYEWJU-CABZTGNLSA-N 0 1 295.180 2.937 20 30 CFEDMN N#C[C@@H]1CC[C@@H](NCc2nc3c(s2)CCCC3)C1 ZINC000769940798 627489739 /nfs/dbraw/zinc/48/97/39/627489739.db2.gz CQACCNOCJSOMFC-GHMZBOCLSA-N 0 1 261.394 2.804 20 30 CFEDMN C#C[C@@H](C)N(C)Cc1cc2c(c(Br)c1)OCO2 ZINC000769962003 627491080 /nfs/dbraw/zinc/49/10/80/627491080.db2.gz VMCQLVJIZQUQLS-SECBINFHSA-N 0 1 296.164 2.631 20 30 CFEDMN C#C[C@H](C)N(C)Cc1cc(Cl)c2c(c1)OCCCO2 ZINC000769962320 627492482 /nfs/dbraw/zinc/49/24/82/627492482.db2.gz XFVRBMWLXUEMPM-NSHDSACASA-N 0 1 279.767 2.955 20 30 CFEDMN C#C[C@H](C)N(C)Cc1cc(=O)oc2cc(CC)ccc12 ZINC000769963089 627492738 /nfs/dbraw/zinc/49/27/38/627492738.db2.gz RKSMKIDJUOTGIJ-LBPRGKRZSA-N 0 1 269.344 2.809 20 30 CFEDMN Cc1ccc(C(=O)Nc2cc(C#N)ccc2O)c(O)c1C ZINC000770129614 627503916 /nfs/dbraw/zinc/50/39/16/627503916.db2.gz UGPVALJVANPDCO-UHFFFAOYSA-N 0 1 282.299 2.839 20 30 CFEDMN C=CCCCOC(=O)c1ccc(-c2nnc[nH]2)cc1 ZINC000770567731 627530469 /nfs/dbraw/zinc/53/04/69/627530469.db2.gz WGUVWGMGXVCIBE-UHFFFAOYSA-N 0 1 257.293 2.595 20 30 CFEDMN CCCCCCCCC(=O)OCc1n[nH]c(C)n1 ZINC000770635736 627535982 /nfs/dbraw/zinc/53/59/82/627535982.db2.gz HQOKSTKAWQNERC-UHFFFAOYSA-N 0 1 253.346 2.907 20 30 CFEDMN C#C[C@H](CC)OC(=O)c1ccc(-c2nnc(C3CC3)[nH]2)cc1 ZINC000770914123 627557667 /nfs/dbraw/zinc/55/76/67/627557667.db2.gz QLECQTFQSURBSI-CQSZACIVSA-N 0 1 295.342 2.918 20 30 CFEDMN C#C[C@@H](NCc1cccc(SC)c1)[C@H]1CCCO1 ZINC000851949772 634604185 /nfs/dbraw/zinc/60/41/85/634604185.db2.gz IYOJRKIJMUKBIL-HUUCEWRRSA-N 0 1 261.390 2.679 20 30 CFEDMN C(=NNCCN1CCCCC1)c1cncc2ccccc12 ZINC000772839361 627750717 /nfs/dbraw/zinc/75/07/17/627750717.db2.gz CQBDMIKSOSJTIZ-UHFFFAOYSA-N 0 1 282.391 2.644 20 30 CFEDMN Cc1ccc(NN=Cc2cncc3ccccc23)nn1 ZINC000772841623 627750739 /nfs/dbraw/zinc/75/07/39/627750739.db2.gz HOZJAJSRFVVKPG-UHFFFAOYSA-N 0 1 263.304 2.779 20 30 CFEDMN N#Cc1ccc(CNC[C@H](O)c2ccccc2F)c(F)c1 ZINC000772918910 627759276 /nfs/dbraw/zinc/75/92/76/627759276.db2.gz MHFXOSYWQGAJBR-INIZCTEOSA-N 0 1 288.297 2.660 20 30 CFEDMN CC(C)c1nccnc1NN=Cc1cc(C#N)cs1 ZINC000773084985 627781131 /nfs/dbraw/zinc/78/11/31/627781131.db2.gz AIPRSBBCHDFEAX-UHFFFAOYSA-N 0 1 271.349 2.979 20 30 CFEDMN CC(C)c1nccnc1NN=Cc1cnc([C@@H](C)O)s1 ZINC000773090030 627782300 /nfs/dbraw/zinc/78/23/00/627782300.db2.gz FAEAKQYWAMDGEY-SECBINFHSA-N 0 1 291.380 2.556 20 30 CFEDMN CC1(C)CCC[C@@H]1C(=O)[C@H](C#N)C(=O)NC1CCCCC1 ZINC000773977255 627875886 /nfs/dbraw/zinc/87/58/86/627875886.db2.gz VZPPRDFEYCYRGR-UONOGXRCSA-N 0 1 290.407 2.970 20 30 CFEDMN C[C@H](CC(C)(C)C)C(=O)C(C#N)C(=O)NC1CCCC1 ZINC000773983805 627876325 /nfs/dbraw/zinc/87/63/25/627876325.db2.gz OOXSHWRVSZZHDS-YPMHNXCESA-N 0 1 278.396 2.826 20 30 CFEDMN Cc1ccc(N[C@H]2CCC[C@H](C#N)C2)c(N(C)C)n1 ZINC000774300944 627913685 /nfs/dbraw/zinc/91/36/85/627913685.db2.gz GGKYLQLDTQKXBK-STQMWFEESA-N 0 1 258.369 2.950 20 30 CFEDMN CCOCCON=C1C[C@@H](C)CN(Cc2ccccc2)C1 ZINC000774430223 627924489 /nfs/dbraw/zinc/92/44/89/627924489.db2.gz BILIQAPTEPEEHF-OAHLLOKOSA-N 0 1 290.407 2.938 20 30 CFEDMN CC(=NOC1CCOCC1)c1cc(F)cc(F)c1O ZINC000774443527 627927127 /nfs/dbraw/zinc/92/71/27/627927127.db2.gz AFGZNGDCUCPKBE-UHFFFAOYSA-N 0 1 271.263 2.590 20 30 CFEDMN CC(C)CN(CCC#N)CCCNC(=O)OC(C)(C)C ZINC000774821073 627968072 /nfs/dbraw/zinc/96/80/72/627968072.db2.gz VKZVLUKVLRDQEU-UHFFFAOYSA-N 0 1 283.416 2.773 20 30 CFEDMN CCCCCCNC(=O)CN[C@@H](C)c1cccc(C#N)c1 ZINC000775337135 628010905 /nfs/dbraw/zinc/01/09/05/628010905.db2.gz AAEVBZYBAKHVLG-AWEZNQCLSA-N 0 1 287.407 2.905 20 30 CFEDMN C#C[C@@H](NCc1cccc(Br)c1)[C@@H]1CCCO1 ZINC000775342416 628012241 /nfs/dbraw/zinc/01/22/41/628012241.db2.gz QYJGFOYJRHBDCV-KGLIPLIRSA-N 0 1 294.192 2.720 20 30 CFEDMN C#C[C@@H](NCc1ccc2c(c1)CC(C)(C)O2)[C@@H]1CCCO1 ZINC000775342301 628012742 /nfs/dbraw/zinc/01/27/42/628012742.db2.gz QFYSJMYCTXUUPH-WBVHZDCISA-N 0 1 285.387 2.671 20 30 CFEDMN C#C[C@H](NC/C=C\c1ccc(F)cc1F)[C@@H]1CCCO1 ZINC000775352673 628015095 /nfs/dbraw/zinc/01/50/95/628015095.db2.gz YNIULSWWUUFZQH-WLYXZUNZSA-N 0 1 277.314 2.748 20 30 CFEDMN C#CC[C@H](NCC(=O)NCc1cccs1)c1ccccc1 ZINC000775398130 628020208 /nfs/dbraw/zinc/02/02/08/628020208.db2.gz FMDDVXTYKZCOKJ-INIZCTEOSA-N 0 1 298.411 2.719 20 30 CFEDMN C#CC[C@H](NCc1ccc(OC)nc1)c1ccccc1 ZINC000775398816 628020843 /nfs/dbraw/zinc/02/08/43/628020843.db2.gz BUHJBUBTKRDILI-INIZCTEOSA-N 0 1 266.344 2.944 20 30 CFEDMN C#CC[C@H](NCC(=O)N(CCC)CCC)c1ccccc1 ZINC000775400348 628021187 /nfs/dbraw/zinc/02/11/87/628021187.db2.gz ZHXMOHKKZGTQMC-KRWDZBQOSA-N 0 1 286.419 2.989 20 30 CFEDMN C#C[C@H](N[C@H](C)c1sc(C)nc1C)[C@H]1CCCO1 ZINC000775572947 628040547 /nfs/dbraw/zinc/04/05/47/628040547.db2.gz DRCZIFINGXAOLO-KGYLQXTDSA-N 0 1 264.394 2.591 20 30 CFEDMN C#C[C@H](N[C@@H](C)c1ccc(Cl)nc1)[C@H]1CCCO1 ZINC000775573655 628041296 /nfs/dbraw/zinc/04/12/96/628041296.db2.gz IMFBMPFPHJLKQZ-WCFLWFBJSA-N 0 1 264.756 2.566 20 30 CFEDMN C#C[C@H](N[C@@H]1CCc2c1cccc2F)[C@@H]1CCCO1 ZINC000775573288 628041494 /nfs/dbraw/zinc/04/14/94/628041494.db2.gz GOLBHRAQSPYKAA-XHSDSOJGSA-N 0 1 259.324 2.583 20 30 CFEDMN C#C[C@H](N[C@H]1CCc2c1cc(F)cc2F)[C@@H]1CCCO1 ZINC000775573539 628041583 /nfs/dbraw/zinc/04/15/83/628041583.db2.gz HQFUUVDOBUIMFF-JYJNAYRXSA-N 0 1 277.314 2.723 20 30 CFEDMN C#C[C@H](N[C@@H]1CCCc2ccc(F)cc21)[C@H]1CCCO1 ZINC000775575881 628043255 /nfs/dbraw/zinc/04/32/55/628043255.db2.gz ZZSLVXVVOSCCIS-GVDBMIGSSA-N 0 1 273.351 2.974 20 30 CFEDMN CCN(CCC#N)Cc1cc(Cl)cc(F)c1O ZINC000775647880 628049305 /nfs/dbraw/zinc/04/93/05/628049305.db2.gz GFMGTOOBZYFTBG-UHFFFAOYSA-N 0 1 256.708 2.920 20 30 CFEDMN COCCN(CCC#N)Cc1cc(Cl)cc(F)c1O ZINC000775677854 628053743 /nfs/dbraw/zinc/05/37/43/628053743.db2.gz UHZKXGHLHKGPCE-UHFFFAOYSA-N 0 1 286.734 2.547 20 30 CFEDMN C=C(C)[C@H](NCCN1CCOC1=O)c1ccc(F)c(F)c1 ZINC000775722904 628059531 /nfs/dbraw/zinc/05/95/31/628059531.db2.gz DZILYAXQDMFHFE-AWEZNQCLSA-N 0 1 296.317 2.624 20 30 CFEDMN C#C[C@@H](NCc1c(C)nn(C(C)(C)C)c1C)[C@H]1CCCO1 ZINC000776003133 628093035 /nfs/dbraw/zinc/09/30/35/628093035.db2.gz VNAIXXULKRYITQ-HZPDHXFCSA-N 0 1 289.423 2.525 20 30 CFEDMN C[C@@H]1CCN(Cc2ccccc2)CC1N=Nc1cccnn1 ZINC000776186943 628113877 /nfs/dbraw/zinc/11/38/77/628113877.db2.gz ZSENAROZRRKCTE-CQSZACIVSA-N 0 1 295.390 2.787 20 30 CFEDMN C[C@H](C(=O)OCCC(C)(C)C#N)N1[C@H](C)CC[C@H]1C ZINC000776385929 628140648 /nfs/dbraw/zinc/14/06/48/628140648.db2.gz IYCRVOYKQDAYJD-JHJVBQTASA-N 0 1 266.385 2.731 20 30 CFEDMN C[C@H](C(=O)OCCC(C)(C)C#N)N1CCCCCC1 ZINC000776385912 628140785 /nfs/dbraw/zinc/14/07/85/628140785.db2.gz IQOPRWLNAQMMEP-CYBMUJFWSA-N 0 1 266.385 2.734 20 30 CFEDMN C[C@H](C(=O)OCCC(C)(C)C#N)N1[C@H](C)CC[C@@H]1C ZINC000776385925 628140863 /nfs/dbraw/zinc/14/08/63/628140863.db2.gz IYCRVOYKQDAYJD-FRRDWIJNSA-N 0 1 266.385 2.731 20 30 CFEDMN Cc1cc(C(=O)N=C2C[C@@H](C)ON2)nn1C1CCCCC1 ZINC000776487253 628153453 /nfs/dbraw/zinc/15/34/53/628153453.db2.gz IGDGJVINHFXUNZ-LLVKDONJSA-N 0 1 290.367 2.549 20 30 CFEDMN C#CCCN1CCN(CCSc2ccc(F)cc2)CC1 ZINC000776594774 628163325 /nfs/dbraw/zinc/16/33/25/628163325.db2.gz TXLCGGUVIREMFE-UHFFFAOYSA-N 0 1 292.423 2.559 20 30 CFEDMN C=C(C)CN1CCN(C(=O)OC(C)(C)C)[C@H](C)[C@H]1C ZINC000776606996 628164798 /nfs/dbraw/zinc/16/47/98/628164798.db2.gz QJGCDIKEVKYNQJ-CHWSQXEVSA-N 0 1 268.401 2.892 20 30 CFEDMN CO[C@@H](CN[C@H](C)c1ccc(C#N)c(F)c1)C(F)(F)F ZINC000777011651 628191355 /nfs/dbraw/zinc/19/13/55/628191355.db2.gz NMYXRJWJJBFKHQ-PELKAZGASA-N 0 1 290.260 2.925 20 30 CFEDMN C[C@@H]1CC(=NC(=O)c2cc3ccccc3c(Cl)n2)NO1 ZINC000777435130 628225313 /nfs/dbraw/zinc/22/53/13/628225313.db2.gz CSJCRVVFZFBECE-MRVPVSSYSA-N 0 1 289.722 2.740 20 30 CFEDMN C[C@@H]1CC(N=Nc2cc(Cl)ccn2)CN1C1CC1 ZINC000777906233 628264062 /nfs/dbraw/zinc/26/40/62/628264062.db2.gz GXTCUXMJORVGBB-SECBINFHSA-N 0 1 264.760 2.760 20 30 CFEDMN Cc1ncsc1CN=Nc1cc(Cl)ccn1 ZINC000777906804 628264381 /nfs/dbraw/zinc/26/43/81/628264381.db2.gz OBXYINFNJYEDDT-UHFFFAOYSA-N 0 1 252.730 2.946 20 30 CFEDMN O=[N+]([O-])c1ccc(O)cc1C=NNc1cc(Cl)ccn1 ZINC000777914035 628264476 /nfs/dbraw/zinc/26/44/76/628264476.db2.gz VIBUFGUBBONYKS-UHFFFAOYSA-N 0 1 292.682 2.795 20 30 CFEDMN C[C@H](NCc1ccc(F)nc1)c1ccc(C#N)cc1 ZINC000778155553 628281282 /nfs/dbraw/zinc/28/12/82/628281282.db2.gz CZTOXTPVQBJQMU-NSHDSACASA-N 0 1 255.296 2.943 20 30 CFEDMN C#CCOc1cccc(Cl)c1CN[C@H]1CCCOC1 ZINC000778167525 628282290 /nfs/dbraw/zinc/28/22/90/628282290.db2.gz JVPINUBLGOMNGO-LBPRGKRZSA-N 0 1 279.767 2.621 20 30 CFEDMN C#CCOc1cccc(Cl)c1CNCC[C@H](O)CC ZINC000778173568 628283575 /nfs/dbraw/zinc/28/35/75/628283575.db2.gz LSWOGVSTEZXISB-GFCCVEGCSA-N 0 1 281.783 2.603 20 30 CFEDMN CC(C)[C@@H]1CN(CCCOc2ccc(C#N)cc2)CCO1 ZINC000778243061 628292068 /nfs/dbraw/zinc/29/20/68/628292068.db2.gz RBJCYGCOHXCBRJ-KRWDZBQOSA-N 0 1 288.391 2.684 20 30 CFEDMN N#Cc1ccc(O)c(NC(=O)[C@@H](F)Cc2ccccc2)c1 ZINC000778400059 628304490 /nfs/dbraw/zinc/30/44/90/628304490.db2.gz SXIQVPHPRZJVSY-ZDUSSCGKSA-N 0 1 284.290 2.783 20 30 CFEDMN CC(C)OCCNN=Cc1cc(Cl)cc(F)c1O ZINC000778546448 628314068 /nfs/dbraw/zinc/31/40/68/628314068.db2.gz ISNKNOOASZNAMH-UHFFFAOYSA-N 0 1 274.723 2.533 20 30 CFEDMN C#CC[C@@H](OC(=O)[C@@H](CC)N(CC)CC)c1ccccn1 ZINC000778631456 628321299 /nfs/dbraw/zinc/32/12/99/628321299.db2.gz HAIMHNOFIDWYAT-HZPDHXFCSA-N 0 1 288.391 2.810 20 30 CFEDMN C#C[C@@H](Cc1ccccc1)OC(=O)[C@H](CC)N(CC)CC ZINC000778688268 628324812 /nfs/dbraw/zinc/32/48/12/628324812.db2.gz FYHIYPGHEXMKBX-IRXDYDNUSA-N 0 1 287.403 2.895 20 30 CFEDMN C#CCCCCCOC(=O)[C@@H](C)N1CCCCCC1 ZINC000778708975 628326867 /nfs/dbraw/zinc/32/68/67/628326867.db2.gz CRYGRFXLEXQOLC-OAHLLOKOSA-N 0 1 265.397 2.988 20 30 CFEDMN C#CCCNC(=O)c1cn[nH]c1-c1ccc(Cl)s1 ZINC000778839387 628336161 /nfs/dbraw/zinc/33/61/61/628336161.db2.gz URPPSLLEKWPGLV-UHFFFAOYSA-N 0 1 279.752 2.545 20 30 CFEDMN C=CC[C@H](C(=O)NOCC(F)F)c1ccccc1 ZINC000779094251 628352153 /nfs/dbraw/zinc/35/21/53/628352153.db2.gz BFMWNWLZBLRDEU-NSHDSACASA-N 0 1 255.264 2.659 20 30 CFEDMN C#CCOc1cccc(Cl)c1CN1CCC(OC)CC1 ZINC000779147583 628355441 /nfs/dbraw/zinc/35/54/41/628355441.db2.gz DACRDAMIUFPVKU-UHFFFAOYSA-N 0 1 293.794 2.963 20 30 CFEDMN C#CCOc1cccc(Cl)c1CN1CC[C@@H]([C@H](C)O)C1 ZINC000779166228 628358050 /nfs/dbraw/zinc/35/80/50/628358050.db2.gz VZABQVOUXZTCBG-QWHCGFSZSA-N 0 1 293.794 2.555 20 30 CFEDMN C#C[C@@](C)(CC)NCc1cc(F)cc2c1OCOC2 ZINC000852098648 634652054 /nfs/dbraw/zinc/65/20/54/634652054.db2.gz RWGAKAQWEORYDC-HNNXBMFYSA-N 0 1 263.312 2.584 20 30 CFEDMN C#C[C@](C)(CC)NCC(=O)Nc1ccc2c(c1)CCC2 ZINC000852099297 634652917 /nfs/dbraw/zinc/65/29/17/634652917.db2.gz JKGKZZZMUICIMX-QGZVFWFLSA-N 0 1 270.376 2.505 20 30 CFEDMN Fc1ccc(C(=NNc2cc[nH+]cc2)C2CC2)cc1 ZINC000779808325 628408824 /nfs/dbraw/zinc/40/88/24/628408824.db2.gz IINALKIYYYWIHI-UHFFFAOYSA-N 0 1 255.296 2.869 20 30 CFEDMN COc1cccc(NN=Cc2c[nH]nc2-c2ccccc2)n1 ZINC000779821019 628411217 /nfs/dbraw/zinc/41/12/17/628411217.db2.gz RMUKOUMMQZXALD-UHFFFAOYSA-N 0 1 293.330 2.926 20 30 CFEDMN C#C[C@](C)(CC)N[C@H](C)C(=O)Nc1cc(F)ccc1C ZINC000852099597 634653885 /nfs/dbraw/zinc/65/38/85/634653885.db2.gz NGQVIICYQBGSOI-MLGOLLRUSA-N 0 1 276.355 2.853 20 30 CFEDMN C#C[C@](C)(CC)N[C@H](C)C(=O)Nc1ccc(F)c(F)c1 ZINC000852099569 634654187 /nfs/dbraw/zinc/65/41/87/634654187.db2.gz MSGIURUTADKSMH-MEBBXXQBSA-N 0 1 280.318 2.683 20 30 CFEDMN C#C[C@@](C)(CC)N[C@H](C)C(=O)Nc1cc(C)ccc1OC ZINC000852101992 634656098 /nfs/dbraw/zinc/65/60/98/634656098.db2.gz VHTVFUAXFWTSGR-DYVFJYSZSA-N 0 1 288.391 2.722 20 30 CFEDMN COc1ccc(CN=Nc2ccc(OC)cn2)cc1 ZINC000780265366 628448226 /nfs/dbraw/zinc/44/82/26/628448226.db2.gz FCZATQDSRNRHBH-UHFFFAOYSA-N 0 1 257.293 2.545 20 30 CFEDMN CCn1c(C=NNc2ccc(OC)cn2)nc2ccccc21 ZINC000780269184 628448739 /nfs/dbraw/zinc/44/87/39/628448739.db2.gz QCHAPEJWOFQBDS-UHFFFAOYSA-N 0 1 295.346 2.906 20 30 CFEDMN COc1ccc(NN=C(C)c2ccc3c(c2)COC3)nc1 ZINC000780274435 628449316 /nfs/dbraw/zinc/44/93/16/628449316.db2.gz BPHKGBLSBJQKCL-UHFFFAOYSA-N 0 1 283.331 2.957 20 30 CFEDMN COc1ccc(NN=Cc2ccc(OC)c(C)c2)nc1 ZINC000780277423 628449627 /nfs/dbraw/zinc/44/96/27/628449627.db2.gz WMEFQGOXYURYIO-UHFFFAOYSA-N 0 1 271.320 2.853 20 30 CFEDMN C#CCCCCCC(=O)C(C#N)C(=O)NC1CCCCC1 ZINC000780305146 628453772 /nfs/dbraw/zinc/45/37/72/628453772.db2.gz DKJSJNPBBANLFL-HNNXBMFYSA-N 0 1 288.391 2.728 20 30 CFEDMN C#C[C@](C)(CC)N[C@H](C)C(=O)Nc1ccc(OCC)cc1 ZINC000852101515 634656849 /nfs/dbraw/zinc/65/68/49/634656849.db2.gz RNTTWQIGPVFGIH-CXAGYDPISA-N 0 1 288.391 2.804 20 30 CFEDMN C#C[C@](C)(CC)NCc1cc(C(=O)OC)ccc1F ZINC000852102540 634656875 /nfs/dbraw/zinc/65/68/75/634656875.db2.gz YVRYLMVLRBLFLM-OAHLLOKOSA-N 0 1 263.312 2.504 20 30 CFEDMN CCc1ccc(CNCc2ccc(C#N)cn2)cc1 ZINC000780555123 628475611 /nfs/dbraw/zinc/47/56/11/628475611.db2.gz OJPUOCCZSOJOOG-UHFFFAOYSA-N 0 1 251.333 2.805 20 30 CFEDMN Cn1c2ccccc2nc1C(C#N)C(=O)[C@]1(C)CCCOC1 ZINC000781450142 628549372 /nfs/dbraw/zinc/54/93/72/628549372.db2.gz QNPUCBBZHOTLKK-YVEFUNNKSA-N 0 1 297.358 2.566 20 30 CFEDMN COc1cc(C)c(CN=Nc2cc(C)ccn2)c(C)n1 ZINC000781593067 628563657 /nfs/dbraw/zinc/56/36/57/628563657.db2.gz QAZWKIKLGOPDCZ-UHFFFAOYSA-N 0 1 270.336 2.856 20 30 CFEDMN CC1(C)CC[C@@H](C(=O)C(C#N)C(=O)NCc2ccccc2)C1 ZINC000781763289 628579006 /nfs/dbraw/zinc/57/90/06/628579006.db2.gz WGQZZQGGDWMULO-CABCVRRESA-N 0 1 298.386 2.838 20 30 CFEDMN CC1(C)CC[C@@H](C(=O)C(C#N)C(=O)Nc2ccccn2)C1 ZINC000781773847 628579957 /nfs/dbraw/zinc/57/99/57/628579957.db2.gz VLZKQHHQFJLQBQ-VXGBXAGGSA-N 0 1 285.347 2.555 20 30 CFEDMN N#CCC1CCN(C[C@H](O)c2c(F)cccc2F)CC1 ZINC000782089797 628603781 /nfs/dbraw/zinc/60/37/81/628603781.db2.gz WVTUIKAVTVSTMT-AWEZNQCLSA-N 0 1 280.318 2.624 20 30 CFEDMN CCCCCCCCCCN1CCO[C@H](C(=O)NC)C1 ZINC000782096787 628604238 /nfs/dbraw/zinc/60/42/38/628604238.db2.gz GINRVXZUYBEBEF-HNNXBMFYSA-N 0 1 284.444 2.574 20 30 CFEDMN Cc1nc(Cl)cc(NN=Cc2ccc(F)nc2C)n1 ZINC000782229543 628617352 /nfs/dbraw/zinc/61/73/52/628617352.db2.gz ABHDLDFFFHJRMQ-UHFFFAOYSA-N 0 1 279.706 2.727 20 30 CFEDMN Cc1c(O)cc(O)c(CN=Nc2cc(Cl)ccn2)c1O ZINC000782269144 628621509 /nfs/dbraw/zinc/62/15/09/628621509.db2.gz UPBGTNDWQPCKRZ-UHFFFAOYSA-N 0 1 293.710 2.606 20 30 CFEDMN CC1(C)CCC[C@@H]1NN=Cc1cnc(N2CCCC2)nc1 ZINC000782286285 628624075 /nfs/dbraw/zinc/62/40/75/628624075.db2.gz FRKQSIMPKKCUTI-AWEZNQCLSA-N 0 1 287.411 2.579 20 30 CFEDMN CC#CCCN1C[C@H]2CCC[C@@H](C1)N2C(=O)OC(C)(C)C ZINC000782561080 628645166 /nfs/dbraw/zinc/64/51/66/628645166.db2.gz MKSPBPRUXDNVHR-GASCZTMLSA-N 0 1 292.423 2.874 20 30 CFEDMN C[C@@H]1CN(CCCOc2ccc(C#N)cc2)[C@H](C)[C@H](C)O1 ZINC000782626234 628650388 /nfs/dbraw/zinc/65/03/88/628650388.db2.gz ZPGLVTJMYXUHJX-KFWWJZLASA-N 0 1 288.391 2.825 20 30 CFEDMN C[C@H](C#N)Oc1ccc(CN2C[C@H](C)O[C@@H](C)[C@@H]2C)cc1 ZINC000783738937 628740644 /nfs/dbraw/zinc/74/06/44/628740644.db2.gz ZKTQYRQFPYNMFV-QPSCCSFWSA-N 0 1 288.391 2.975 20 30 CFEDMN C[C@@H]1CCC(=NNCCN2CCCCC2)[C@H](C)C1 ZINC000783826215 628747899 /nfs/dbraw/zinc/74/78/99/628747899.db2.gz BBVRNIMAWPTNIL-ZIAGYGMSSA-N 0 1 251.418 2.874 20 30 CFEDMN C=CCCN(OCc1ccccc1)C(=O)[C@@H](CC)N(C)C ZINC000783871663 628752611 /nfs/dbraw/zinc/75/26/11/628752611.db2.gz XFOZJQTZEHJCTG-MRXNPFEDSA-N 0 1 290.407 2.863 20 30 CFEDMN N#CCCCNCc1cc(Cl)ccc1[N+](=O)[O-] ZINC000784621416 628832165 /nfs/dbraw/zinc/83/21/65/628832165.db2.gz JBHYUZZPFAHTAH-UHFFFAOYSA-N 0 1 253.689 2.642 20 30 CFEDMN Cc1nc(F)ccc1CNCc1cccc(C#N)c1 ZINC000785423013 628881815 /nfs/dbraw/zinc/88/18/15/628881815.db2.gz SDESXYDKWYYGNT-UHFFFAOYSA-N 0 1 255.296 2.691 20 30 CFEDMN C[C@@H]1CC[C@@H](C)N1CC(=O)OCCCC(C)(C)C#N ZINC000785728358 628907022 /nfs/dbraw/zinc/90/70/22/628907022.db2.gz IWBUITWICILTTO-CHWSQXEVSA-N 0 1 266.385 2.732 20 30 CFEDMN C[C@H]1CC[C@H](C)N1CC(=O)OCc1ccc(F)c(C#N)c1 ZINC000785736250 628909325 /nfs/dbraw/zinc/90/93/25/628909325.db2.gz VPTKNXVCEQIKRW-RYUDHWBXSA-N 0 1 290.338 2.613 20 30 CFEDMN C=CCCC[N@@H+]1CC[C@H](C)[C@H]([N-]C(=O)C(F)(F)F)[C@@H]1C ZINC000805788555 628917276 /nfs/dbraw/zinc/91/72/76/628917276.db2.gz KCCABSSBEISGJG-SRVKXCTJSA-N 0 1 292.345 2.730 20 30 CFEDMN C=CCCN(C)Cn1ccc(-c2ccc(C#N)cc2)n1 ZINC000786101983 628937226 /nfs/dbraw/zinc/93/72/26/628937226.db2.gz KYOCPOWFZRTGDB-UHFFFAOYSA-N 0 1 266.348 2.887 20 30 CFEDMN Cc1cccc2nc([C@H](C#N)C(=O)[C@@H]3CCCOCC3)[nH]c21 ZINC000786422037 628955408 /nfs/dbraw/zinc/95/54/08/628955408.db2.gz JMJLCOOKTRINRA-CHWSQXEVSA-N 0 1 297.358 2.864 20 30 CFEDMN CC=C(C)C(=O)[C@@H](C#N)C(=O)NCc1cccc(Cl)c1 ZINC000786535965 628966621 /nfs/dbraw/zinc/96/66/21/628966621.db2.gz WVTJGTSLJGCJBN-CQDYJGNSSA-N 0 1 290.750 2.631 20 30 CFEDMN C=C(Cl)CN[C@H](C)c1ccc(N2CCNC2=O)cc1 ZINC000786861037 628982059 /nfs/dbraw/zinc/98/20/59/628982059.db2.gz UXIJFHMXJBIVNZ-LLVKDONJSA-N 0 1 279.771 2.619 20 30 CFEDMN CC(C)CN(CCC#N)CCOCC(F)(F)C(F)F ZINC000787252073 629002225 /nfs/dbraw/zinc/00/22/25/629002225.db2.gz RSGBJWJVWXJFOW-UHFFFAOYSA-N 0 1 284.297 2.775 20 30 CFEDMN CC(C)CC1CCN([C@@H](C)C(=O)NC2(C#N)CCC2)CC1 ZINC000787264969 629002472 /nfs/dbraw/zinc/00/24/72/629002472.db2.gz WXEXZGGQYHIKEN-AWEZNQCLSA-N 0 1 291.439 2.695 20 30 CFEDMN C#CCC1(C(=O)N2C[C@@H](C)N(C)C[C@@H]2C)CCCCC1 ZINC000788236882 629052586 /nfs/dbraw/zinc/05/25/86/629052586.db2.gz QHEDUBNFCHUAGM-CABCVRRESA-N 0 1 276.424 2.511 20 30 CFEDMN CC(C)[C@@H](C(=O)O[C@@H](C)c1ccc(C#N)cc1)N(C)C ZINC000789803886 629189299 /nfs/dbraw/zinc/18/92/99/629189299.db2.gz YWKDGVURGSQOEN-WFASDCNBSA-N 0 1 274.364 2.749 20 30 CFEDMN CCc1ccc2c(c1)C(=NNc1ncccc1C)C(=O)N2 ZINC000790187200 629217239 /nfs/dbraw/zinc/21/72/39/629217239.db2.gz VIGMUNNWQAHQFK-UHFFFAOYSA-N 0 1 280.331 2.721 20 30 CFEDMN COc1cccc(CN=Nc2ncccc2C)c1OC ZINC000790186287 629217306 /nfs/dbraw/zinc/21/73/06/629217306.db2.gz OPYOUBBHZRZNTJ-UHFFFAOYSA-N 0 1 271.320 2.853 20 30 CFEDMN Cc1cccnc1NN=Cc1cc(F)c(O)c(F)c1 ZINC000790192929 629218791 /nfs/dbraw/zinc/21/87/91/629218791.db2.gz KIUIQFREIRKUTN-UHFFFAOYSA-N 0 1 263.247 2.820 20 30 CFEDMN Cc1ccc(F)c2c1C(=NNc1ncccc1C)C(=O)N2 ZINC000790193311 629218810 /nfs/dbraw/zinc/21/88/10/629218810.db2.gz CBPMTRYGDWBWCI-UHFFFAOYSA-N 0 1 284.294 2.606 20 30 CFEDMN Cc1ccc2[nH]cc(C=NNc3nccn3C)c2c1 ZINC000790299748 629227757 /nfs/dbraw/zinc/22/77/57/629227757.db2.gz JMHCCZZDKDKELG-UHFFFAOYSA-N 0 1 253.309 2.656 20 30 CFEDMN Cn1ccnc1NN=Cc1cc(Cl)ccc1F ZINC000790300946 629228284 /nfs/dbraw/zinc/22/82/84/629228284.db2.gz AFEXQLRMKRIICA-UHFFFAOYSA-N 0 1 252.680 2.659 20 30 CFEDMN Cn1ccnc1NN=C1CC(C)(C)Cc2occc21 ZINC000790305873 629228952 /nfs/dbraw/zinc/22/89/52/629228952.db2.gz PTHWXIVDDRIEFM-UHFFFAOYSA-N 0 1 258.325 2.802 20 30 CFEDMN CCCOc1ccc(CN=Nc2nccn2C)cc1 ZINC000790305151 629228984 /nfs/dbraw/zinc/22/89/84/629228984.db2.gz AVXKVNQJHCABCT-UHFFFAOYSA-N 0 1 258.325 2.655 20 30 CFEDMN N#CC[C@H]1CCCN(C[C@H](O)c2cccc(Cl)c2)C1 ZINC000852318817 634719001 /nfs/dbraw/zinc/71/90/01/634719001.db2.gz CCFOJIHDNYSDIG-DOMZBBRYSA-N 0 1 278.783 2.999 20 30 CFEDMN C#CCCN1Cc2ccccc2[C@H](C(=O)OC(C)(C)C)C1 ZINC000852317577 634719053 /nfs/dbraw/zinc/71/90/53/634719053.db2.gz JSXOFHNXWMTXDH-MRXNPFEDSA-N 0 1 285.387 2.951 20 30 CFEDMN N#CC[C@@H]1CCCN(Cc2cc(=O)oc3cc(O)ccc23)C1 ZINC000852319560 634719666 /nfs/dbraw/zinc/71/96/66/634719666.db2.gz PAINIYOVTFYTCA-LBPRGKRZSA-N 0 1 298.342 2.624 20 30 CFEDMN C[C@H](C(=O)OCC#Cc1ccccc1)N1[C@H](C)CC[C@H]1C ZINC000791391772 629308156 /nfs/dbraw/zinc/30/81/56/629308156.db2.gz OVBOJTCMPYBHIG-BZUAXINKSA-N 0 1 285.387 2.843 20 30 CFEDMN C#CCCCN1CCCC[C@@H]1C(=O)OCc1ccccc1 ZINC000791648751 629342372 /nfs/dbraw/zinc/34/23/72/629342372.db2.gz UGTABCCVUFFJMD-QGZVFWFLSA-N 0 1 285.387 2.998 20 30 CFEDMN N#CC(=C(O)C=CC1CC1)c1cnc2ccccc2n1 ZINC000792110035 629397997 /nfs/dbraw/zinc/39/79/97/629397997.db2.gz XERAYJLPBHXXSX-KRZKBDHCSA-N 0 1 263.300 2.772 20 30 CFEDMN C=CCN(C[C@@H]1CC1(Cl)Cl)[C@H](C)COC ZINC000852360240 634733301 /nfs/dbraw/zinc/73/33/01/634733301.db2.gz WKWPHBVWPJSKQY-ZJUUUORDSA-N 0 1 252.185 2.703 20 30 CFEDMN Cc1nc2cc(C(=O)Nc3cc(C#N)ccc3O)ccc2o1 ZINC000792277142 629416099 /nfs/dbraw/zinc/41/60/99/629416099.db2.gz NSIWUIPFSHNAQR-UHFFFAOYSA-N 0 1 293.282 2.966 20 30 CFEDMN C#C[C@H](NCCOc1ccc(Cl)c(F)c1)[C@@H]1CCCO1 ZINC000792285019 629417565 /nfs/dbraw/zinc/41/75/65/629417565.db2.gz CWROGWJFYGDRFJ-GJZGRUSLSA-N 0 1 297.757 2.628 20 30 CFEDMN C#CCN(C)CCOc1c(Cl)cccc1Cl ZINC000792302506 629419454 /nfs/dbraw/zinc/41/94/54/629419454.db2.gz YXPFYTZOTKZZOJ-UHFFFAOYSA-N 0 1 258.148 2.937 20 30 CFEDMN C[C@H](OC(=O)c1cccc(-c2nnc[nH]2)c1)C(C)(C)C#N ZINC000793178790 629500146 /nfs/dbraw/zinc/50/01/46/629500146.db2.gz PGPDTDPIYFLSED-JTQLQIEISA-N 0 1 284.319 2.567 20 30 CFEDMN C[C@@H](OC(=O)c1cccc(-c2nnc[nH]2)c1)C(C)(C)C#N ZINC000793178791 629500243 /nfs/dbraw/zinc/50/02/43/629500243.db2.gz PGPDTDPIYFLSED-SNVBAGLBSA-N 0 1 284.319 2.567 20 30 CFEDMN CC(C)(C)[C@@H](C#N)OC(=O)c1cccc(-c2nnc[nH]2)c1 ZINC000793192175 629502802 /nfs/dbraw/zinc/50/28/02/629502802.db2.gz RALSGRYLTZNAQC-GFCCVEGCSA-N 0 1 284.319 2.567 20 30 CFEDMN CC(C)(CCC#N)COC(=O)c1cccc(-c2nnc[nH]2)c1 ZINC000793324602 629526806 /nfs/dbraw/zinc/52/68/06/629526806.db2.gz IUSYRUWAKWIYPJ-UHFFFAOYSA-N 0 1 298.346 2.958 20 30 CFEDMN C#CC[C@H](Cc1ccccc1)OC(=O)[C@H](C(C)C)N(C)C ZINC000793376350 629533825 /nfs/dbraw/zinc/53/38/25/629533825.db2.gz ZYEQRQZMJMGZTB-SJORKVTESA-N 0 1 287.403 2.750 20 30 CFEDMN C#CC[C@H](Cc1ccccc1)OC(=O)[C@@H](C(C)C)N(C)C ZINC000793376346 629533893 /nfs/dbraw/zinc/53/38/93/629533893.db2.gz ZYEQRQZMJMGZTB-IAGOWNOFSA-N 0 1 287.403 2.750 20 30 CFEDMN C#CCOc1ccccc1CN[C@H](C)c1cc(C)nn1C ZINC000793538550 629565802 /nfs/dbraw/zinc/56/58/02/629565802.db2.gz FJBNNEKIOBGSTG-CQSZACIVSA-N 0 1 283.375 2.591 20 30 CFEDMN Oc1c(Cl)cc(Cl)cc1/C=N/C1COCCOC1 ZINC000793655026 629582647 /nfs/dbraw/zinc/58/26/47/629582647.db2.gz NYDZSGOYAGRKGH-PJQLUOCWSA-N 0 1 290.146 2.533 20 30 CFEDMN CC(C)n1nccc1C=NNc1cc(Cl)ccn1 ZINC000794526430 629654566 /nfs/dbraw/zinc/65/45/66/629654566.db2.gz MAPHWYPBXANTNY-UHFFFAOYSA-N 0 1 263.732 2.958 20 30 CFEDMN C[C@@H]1COC(=O)C1N=Nc1c(Cl)cccc1Cl ZINC000794918667 629704417 /nfs/dbraw/zinc/70/44/17/629704417.db2.gz WOYUHFTVVYUVEQ-ZCFIWIBFSA-N 0 1 273.119 2.954 20 30 CFEDMN c1ccc2c(c1)OC1(CCC1)CC2N=Nc1cncnc1 ZINC000794976793 629714181 /nfs/dbraw/zinc/71/41/81/629714181.db2.gz QFYJQIHSIOWQRP-UHFFFAOYSA-N 0 1 280.331 2.998 20 30 CFEDMN C[C@@H]1CC(N=Nc2cncnc2)CN(Cc2ccccc2)C1 ZINC000794976929 629714193 /nfs/dbraw/zinc/71/41/93/629714193.db2.gz SMESNXVORICCNP-CQSZACIVSA-N 0 1 295.390 2.787 20 30 CFEDMN COc1cc(CN=Nc2cncnc2)cc(Cl)c1OC ZINC000794976690 629714240 /nfs/dbraw/zinc/71/42/40/629714240.db2.gz QRRIZVDKUMEHRK-UHFFFAOYSA-N 0 1 292.726 2.593 20 30 CFEDMN FC(F)(F)c1ccccc1CN=Nc1cncnc1 ZINC000794977069 629714492 /nfs/dbraw/zinc/71/44/92/629714492.db2.gz UUKQDRAHHVVXFG-UHFFFAOYSA-N 0 1 266.226 2.941 20 30 CFEDMN CCN(C)c1ccc(C=[NH+][N-]c2ncccc2F)cn1 ZINC000794989693 629718631 /nfs/dbraw/zinc/71/86/31/629718631.db2.gz JCMMPNRWQIDEEJ-UHFFFAOYSA-N 0 1 273.315 2.518 20 30 CFEDMN Fc1cccc(N=NCc2cnc([C@@H]3CCCO3)s2)n1 ZINC000795005537 629722247 /nfs/dbraw/zinc/72/22/47/629722247.db2.gz ARXYOBYSIGRUCC-JTQLQIEISA-N 0 1 292.339 2.975 20 30 CFEDMN COCCCON=C1C[C@@H](C)CN(Cc2ccccc2)C1 ZINC000795041672 629728140 /nfs/dbraw/zinc/72/81/40/629728140.db2.gz FQUUVDYZSAGBMZ-OAHLLOKOSA-N 0 1 290.407 2.938 20 30 CFEDMN COCCCON=C1CN(Cc2ccccc2)CC[C@H]1C ZINC000795054685 629730884 /nfs/dbraw/zinc/73/08/84/629730884.db2.gz AABMOSQKQYUZFY-OAHLLOKOSA-N 0 1 290.407 2.938 20 30 CFEDMN C[C@@H]1C[C@@H](c2ccccc2)N(Cn2cccc(C#N)c2=O)C1 ZINC000795743977 629829089 /nfs/dbraw/zinc/82/90/89/629829089.db2.gz KUCOGLZKQKIILO-PBHICJAKSA-N 0 1 293.370 2.761 20 30 CFEDMN C#CCN(CC#CC)CCCc1ccc2c(c1)CCO2 ZINC000795885785 629845059 /nfs/dbraw/zinc/84/50/59/629845059.db2.gz BAVMMMDEKMKGFA-UHFFFAOYSA-N 0 1 267.372 2.513 20 30 CFEDMN C[C@@H](CCC#N)N1CC2CC1(CNC(=O)OC(C)(C)C)C2 ZINC000852529037 634771609 /nfs/dbraw/zinc/77/16/09/634771609.db2.gz NAIGTRWLHPACAW-FUJMWEONSA-N 0 1 293.411 2.668 20 30 CFEDMN C[C@H](CCC#N)N1CC2CC1(CNC(=O)OC(C)(C)C)C2 ZINC000852529038 634771868 /nfs/dbraw/zinc/77/18/68/634771868.db2.gz NAIGTRWLHPACAW-VEAWUBTESA-N 0 1 293.411 2.668 20 30 CFEDMN CC[C@@H](C#N)Oc1cccc(CNCc2c(C)cnn2C)c1 ZINC000796309133 629902705 /nfs/dbraw/zinc/90/27/05/629902705.db2.gz VJAMGWZZRVWBHR-HNNXBMFYSA-N 0 1 298.390 2.699 20 30 CFEDMN C=C(C)CN(CCO[C@H](C)C#N)Cc1cnn(C(C)C)c1 ZINC000796453699 629920019 /nfs/dbraw/zinc/92/00/19/629920019.db2.gz MKQCKHHRXNAKRM-OAHLLOKOSA-N 0 1 290.411 2.771 20 30 CFEDMN CC(C)NC(=O)[C@H](C#N)C(=O)[C@@H](F)CC1CCCCC1 ZINC000796631321 629943005 /nfs/dbraw/zinc/94/30/05/629943005.db2.gz SFKWAXJPXUNKPI-OLZOCXBDSA-N 0 1 282.359 2.528 20 30 CFEDMN C#CCN(CCn1nc(C)cc1C)Cc1ccccc1 ZINC000796632794 629943216 /nfs/dbraw/zinc/94/32/16/629943216.db2.gz NRTDLHRLFLQGSZ-UHFFFAOYSA-N 0 1 267.376 2.635 20 30 CFEDMN CCCCCNC(=O)C(C#N)C(=O)CC[C@H](C)CC ZINC000796779951 629965484 /nfs/dbraw/zinc/96/54/84/629965484.db2.gz QLKQLVPUEOMGAE-OLZOCXBDSA-N 0 1 266.385 2.828 20 30 CFEDMN CCc1nc(C(=O)C(C#N)C(=O)Nc2ccccc2)c(C)o1 ZINC000796788650 629967482 /nfs/dbraw/zinc/96/74/82/629967482.db2.gz KVBITHQXCJAHMP-GFCCVEGCSA-N 0 1 297.314 2.507 20 30 CFEDMN CCc1nc(C(=O)C(C#N)C(=O)Nc2ccccc2)c(C)o1 ZINC000796788651 629967743 /nfs/dbraw/zinc/96/77/43/629967743.db2.gz KVBITHQXCJAHMP-LBPRGKRZSA-N 0 1 297.314 2.507 20 30 CFEDMN N#CC(C(=O)CCSCc1ccccc1)c1ccncn1 ZINC000796848134 629978518 /nfs/dbraw/zinc/97/85/18/629978518.db2.gz ZPFSFXPZDFETIJ-CQSZACIVSA-N 0 1 297.383 2.976 20 30 CFEDMN N#C[C@@H](C(=O)C(C1CCC1)C1CCC1)c1ccncn1 ZINC000797314126 630055047 /nfs/dbraw/zinc/05/50/47/630055047.db2.gz MNIKFSKHWUEUOW-CYBMUJFWSA-N 0 1 269.348 2.869 20 30 CFEDMN CCC[C@@H](CC)S(=O)(=O)Nc1cc(C#N)ccc1O ZINC000798247447 630174070 /nfs/dbraw/zinc/17/40/70/630174070.db2.gz AKAWGYBLJNGLFJ-LLVKDONJSA-N 0 1 282.365 2.584 20 30 CFEDMN C=C[C@@H](OC(=O)CCCCc1cn[nH]n1)C(C)(C)C ZINC000798903254 630256989 /nfs/dbraw/zinc/25/69/89/630256989.db2.gz UZHOEJWPHAFKLQ-GFCCVEGCSA-N 0 1 265.357 2.661 20 30 CFEDMN C#C[C@H](N[C@H]1CCc2cc(F)c(OC)cc21)[C@@H]1CCCO1 ZINC000798932698 630263105 /nfs/dbraw/zinc/26/31/05/630263105.db2.gz NGNFXPGBXMZKKY-JYJNAYRXSA-N 0 1 289.350 2.592 20 30 CFEDMN N#Cc1ccccc1CN1CC[C@H](c2ccccn2)C1 ZINC000798965695 630266294 /nfs/dbraw/zinc/26/62/94/630266294.db2.gz XNKQLPJORWXXKV-INIZCTEOSA-N 0 1 263.344 2.943 20 30 CFEDMN C(CN1CCCCC1)NN=C1CCC[C@H]([C@H]2CCOC2)C1 ZINC000799109149 630275786 /nfs/dbraw/zinc/27/57/86/630275786.db2.gz WRQAARZHODDDHG-HOTGVXAUSA-N 0 1 293.455 2.645 20 30 CFEDMN COc1cc(CNCC#Cc2ccccc2)ccc1C#N ZINC000799337545 630300321 /nfs/dbraw/zinc/30/03/21/630300321.db2.gz ZXYWQIXWURKADZ-UHFFFAOYSA-N 0 1 276.339 2.708 20 30 CFEDMN FC(F)(F)c1cc(C=NNc2cc(Cl)ccn2)n[nH]1 ZINC000799484649 630314063 /nfs/dbraw/zinc/31/40/63/630314063.db2.gz HSOHEZGJTHOCAT-UHFFFAOYSA-N 0 1 289.648 2.923 20 30 CFEDMN FC(F)(F)c1cc(CN=Nc2cc(Cl)ccn2)[nH]n1 ZINC000799484649 630314066 /nfs/dbraw/zinc/31/40/66/630314066.db2.gz HSOHEZGJTHOCAT-UHFFFAOYSA-N 0 1 289.648 2.923 20 30 CFEDMN FC(F)(F)c1cc(C=NNc2cc(Cl)ccn2)[nH]n1 ZINC000799484649 630314068 /nfs/dbraw/zinc/31/40/68/630314068.db2.gz HSOHEZGJTHOCAT-UHFFFAOYSA-N 0 1 289.648 2.923 20 30 CFEDMN Cc1ccc(C(=O)Nc2ccc3nc[nH]c3c2)cc1C#N ZINC000799589247 630323307 /nfs/dbraw/zinc/32/33/07/630323307.db2.gz MSQCTQJTLIENOJ-UHFFFAOYSA-N 0 1 276.299 2.995 20 30 CFEDMN C[C@H]1CC(NC(=O)c2ncccc2Oc2ccccc2)=NO1 ZINC000799714163 630337805 /nfs/dbraw/zinc/33/78/05/630337805.db2.gz IZKXGUQPJJQYNO-NSHDSACASA-N 0 1 297.314 2.726 20 30 CFEDMN C=C1C[C@H]2CC[C@@H](C1)N2CC(=O)Nc1ccc(O)cc1 ZINC000852685080 634806090 /nfs/dbraw/zinc/80/60/90/634806090.db2.gz AEHFQLMQNDCVEE-OKILXGFUSA-N 0 1 272.348 2.514 20 30 CFEDMN C[C@@H]1C[C@H](C)[C@H](C(=O)C(C#N)c2cnc3ccccc3n2)O1 ZINC000800410562 630380095 /nfs/dbraw/zinc/38/00/95/630380095.db2.gz ZJPPTQBAPLVWLO-HBGPKNEHSA-N 0 1 295.342 2.620 20 30 CFEDMN Cc1cc(=O)[nH]c(N=NC2CCC[C@@H]2CCCF)n1 ZINC000800804046 630405835 /nfs/dbraw/zinc/40/58/35/630405835.db2.gz QPXLJHCDXSXZBF-SNVBAGLBSA-N 0 1 266.320 2.808 20 30 CFEDMN FCCC[C@@H]1CCCC1=NNCCN1CCCCC1 ZINC000800810404 630406975 /nfs/dbraw/zinc/40/69/75/630406975.db2.gz MOUJXQJVJUNPGV-AWEZNQCLSA-N 0 1 269.408 2.968 20 30 CFEDMN COC(=O)c1c(F)cccc1N=NCc1ccc(C)o1 ZINC000800818191 630408413 /nfs/dbraw/zinc/40/84/13/630408413.db2.gz MCHKNHSVZVPSKJ-UHFFFAOYSA-N 0 1 276.267 2.960 20 30 CFEDMN CC#CC(=O)N1CCC[C@H]1c1nc2ccc(Cl)cc2[nH]1 ZINC000801166980 630431548 /nfs/dbraw/zinc/43/15/48/630431548.db2.gz PVCCUKVIJPZNOJ-ZDUSSCGKSA-N 0 1 287.750 2.903 20 30 CFEDMN C=CCN(C(=O)c1cccc2[nH]c(C)nc21)C(C)C ZINC000801876967 630483496 /nfs/dbraw/zinc/48/34/96/630483496.db2.gz ZVEPLKXCESMKSQ-UHFFFAOYSA-N 0 1 257.337 2.908 20 30 CFEDMN C[C@@H](C#N)OCCN1CCSC[C@H]1c1ccccc1 ZINC000801922366 630488675 /nfs/dbraw/zinc/48/86/75/630488675.db2.gz VHHCNMVJXKPYPS-ZFWWWQNUSA-N 0 1 276.405 2.705 20 30 CFEDMN CC(C)[C@@H](C#N)N1CCN(CCSC(C)(C)C)CC1 ZINC000801936177 630491413 /nfs/dbraw/zinc/49/14/13/630491413.db2.gz JYRUNZCICBXHTO-CQSZACIVSA-N 0 1 283.485 2.684 20 30 CFEDMN C[C@@H](NCCO[C@@H](C)C#N)c1c(F)cccc1F ZINC000801937531 630491664 /nfs/dbraw/zinc/49/16/64/630491664.db2.gz PHSGOYBPGULABG-VHSXEESVSA-N 0 1 254.280 2.544 20 30 CFEDMN CC(C)[C@@H](NCCC#N)[C@H](O)c1ccc(Cl)cc1 ZINC000852730340 634816903 /nfs/dbraw/zinc/81/69/03/634816903.db2.gz DEUODIIEEFZENH-ZIAGYGMSSA-N 0 1 266.772 2.901 20 30 CFEDMN CC(C)[C@H](NCCC#N)[C@@H](O)c1ccc(Cl)cc1 ZINC000852730337 634816912 /nfs/dbraw/zinc/81/69/12/634816912.db2.gz DEUODIIEEFZENH-KBPBESRZSA-N 0 1 266.772 2.901 20 30 CFEDMN N#C[C@@H](OC(=O)c1ccc([N+](=O)[O-])[nH]1)C1CCCCC1 ZINC000802224370 630513932 /nfs/dbraw/zinc/51/39/32/630513932.db2.gz VVSHTRNCVBZANF-LLVKDONJSA-N 0 1 277.280 2.552 20 30 CFEDMN Cc1ccc(N2CCN(CCCC#N)CC2)c(C)c1 ZINC000852742316 634819964 /nfs/dbraw/zinc/81/99/64/634819964.db2.gz FMXSGIAQHSLTEX-UHFFFAOYSA-N 0 1 257.381 2.729 20 30 CFEDMN C=CCN1CCN(CNC2(c3ccccc3)CCC2)C1=O ZINC000839979647 630551501 /nfs/dbraw/zinc/55/15/01/630551501.db2.gz NJAIPBDIUKZNRB-UHFFFAOYSA-N 0 1 285.391 2.537 20 30 CFEDMN C#CCCN(CCOC)Cc1cc(Cl)ccc1OC ZINC000852751609 634826246 /nfs/dbraw/zinc/82/62/46/634826246.db2.gz BKSNHECIEZVHCD-UHFFFAOYSA-N 0 1 281.783 2.820 20 30 CFEDMN C#CCCCCCC(=O)N1CC(N(C)Cc2ccccc2)C1 ZINC000804530260 630690485 /nfs/dbraw/zinc/69/04/85/630690485.db2.gz CAXRNRZRQYNPIX-UHFFFAOYSA-N 0 1 298.430 2.913 20 30 CFEDMN Cc1ccc(-c2cc(NC(=O)C#CC(C)C)[nH]n2)o1 ZINC000855105303 635458422 /nfs/dbraw/zinc/45/84/22/635458422.db2.gz OWUKODQVWHUKOJ-UHFFFAOYSA-N 0 1 257.293 2.576 20 30 CFEDMN C#CCC(CC#C)C(=O)Nc1cc(Cl)c(O)cc1F ZINC000807776334 630910448 /nfs/dbraw/zinc/91/04/48/630910448.db2.gz XLTMDNGGZMGPER-UHFFFAOYSA-N 0 1 279.698 2.786 20 30 CFEDMN C=CCC[C@@H](C(=O)NO[C@@H](CO)C(C)C)c1ccccc1 ZINC000836894572 630910996 /nfs/dbraw/zinc/91/09/96/630910996.db2.gz FLMWVJHSCFNEAN-CVEARBPZSA-N 0 1 291.391 2.801 20 30 CFEDMN C#C[C@H](NC(=O)[C@@H]1CCCN1Cc1ccccc1)C(C)(C)C ZINC000807882740 630918914 /nfs/dbraw/zinc/91/89/14/630918914.db2.gz ZAUYWVLLZLWXLF-IRXDYDNUSA-N 0 1 298.430 2.815 20 30 CFEDMN Fc1cc(CN=Nc2nncc3ccccc32)c(F)cn1 ZINC000807946844 630925327 /nfs/dbraw/zinc/92/53/27/630925327.db2.gz VXIPQJQMPAQXQA-UHFFFAOYSA-N 0 1 285.257 2.749 20 30 CFEDMN Cc1cc(C=NNc2nccnc2C2CCC2)sn1 ZINC000807993260 630934122 /nfs/dbraw/zinc/93/41/22/630934122.db2.gz XOJDJTWOBFZAFD-UHFFFAOYSA-N 0 1 273.365 2.955 20 30 CFEDMN CCN(CC)c1ccc(C=NN[C@@H]2CCSC2)c(O)c1 ZINC000808001184 630936670 /nfs/dbraw/zinc/93/66/70/630936670.db2.gz GQKMUYXNKAGJEB-CYBMUJFWSA-N 0 1 293.436 2.667 20 30 CFEDMN FC(F)(F)c1cc(C=NNCC2CCCC2)[nH]n1 ZINC000808005328 630939348 /nfs/dbraw/zinc/93/93/48/630939348.db2.gz CTOLBYYRLRRVHN-UHFFFAOYSA-N 0 1 260.263 2.542 20 30 CFEDMN C(=NNCC1CCCC1)c1ccc(N2CCOCC2)s1 ZINC000808006198 630940091 /nfs/dbraw/zinc/94/00/91/630940091.db2.gz RZUFZBXBEDZKHJ-UHFFFAOYSA-N 0 1 293.436 2.698 20 30 CFEDMN CC(=O)c1ccc(O)c(NC(=O)C#CC(C)(C)C)c1 ZINC000837514672 631052259 /nfs/dbraw/zinc/05/22/59/631052259.db2.gz NIRZLZGEHYIJNU-UHFFFAOYSA-N 0 1 259.305 2.583 20 30 CFEDMN N#C[C@H]1CC[C@@H](COC(=O)c2ccc3cncn3c2)CC1 ZINC000809087599 631075827 /nfs/dbraw/zinc/07/58/27/631075827.db2.gz JCUUEOJOGZMIGO-BETUJISGSA-N 0 1 283.331 2.821 20 30 CFEDMN C#CCCCc1nc(-c2cc3nc[nH]c3c(C)c2)no1 ZINC000809417500 631223989 /nfs/dbraw/zinc/22/39/89/631223989.db2.gz XVQZMUUQHOLIIR-UHFFFAOYSA-N 0 1 266.304 2.877 20 30 CFEDMN C[C@@H](c1cccc(Cl)c1)N(C)C[C@H](O)CC#N ZINC000809571928 631237689 /nfs/dbraw/zinc/23/76/89/631237689.db2.gz FDIQFAJGNDNBEW-GXFFZTMASA-N 0 1 252.745 2.607 20 30 CFEDMN N#CC[C@@H](O)CN1CCC[C@H]1c1ccccc1Cl ZINC000809573200 631237959 /nfs/dbraw/zinc/23/79/59/631237959.db2.gz ZHNOSLXMXBUFAQ-RISCZKNCSA-N 0 1 264.756 2.751 20 30 CFEDMN C#CCOc1ccccc1CNCc1ccc(C#C)cc1 ZINC000809620968 631248736 /nfs/dbraw/zinc/24/87/36/631248736.db2.gz SFNQCGUMXHVISJ-UHFFFAOYSA-N 0 1 275.351 2.970 20 30 CFEDMN C#Cc1ccc(CNCc2ccnc(OC(F)F)c2)cc1 ZINC000809664441 631259190 /nfs/dbraw/zinc/25/91/90/631259190.db2.gz HHBFWSOXNVACEC-UHFFFAOYSA-N 0 1 288.297 2.954 20 30 CFEDMN C#C[C@H](C)NCc1ccc(-c2ccccc2C(=O)OC)o1 ZINC000809683029 631260626 /nfs/dbraw/zinc/26/06/26/631260626.db2.gz MNNKKFBMCAEPDA-LBPRGKRZSA-N 0 1 283.327 2.845 20 30 CFEDMN N#Cc1csc(CNCCCCOc2ccccc2)n1 ZINC000810127716 631328044 /nfs/dbraw/zinc/32/80/44/631328044.db2.gz FCCUWFLDIVCKFH-UHFFFAOYSA-N 0 1 287.388 2.964 20 30 CFEDMN CCCCCCCC[C@H](C)C(=O)N[C@@H]1CNC[C@@H]1C#N ZINC000852876281 634853282 /nfs/dbraw/zinc/85/32/82/634853282.db2.gz XEIJLPXHALQREX-SOUVJXGZSA-N 0 1 279.428 2.601 20 30 CFEDMN C#Cc1ccccc1CC(=O)Nc1ncc(C(F)(F)F)[nH]1 ZINC000810566344 631391957 /nfs/dbraw/zinc/39/19/57/631391957.db2.gz OEBDJCOAYQIGDH-UHFFFAOYSA-N 0 1 293.248 2.591 20 30 CFEDMN C=C(C)CCOC(=O)[C@@]1(F)CCN(C(C)(C)C)C1 ZINC000810600310 631399892 /nfs/dbraw/zinc/39/98/92/631399892.db2.gz ZJBUGWIASIZQSG-CQSZACIVSA-N 0 1 257.349 2.708 20 30 CFEDMN C=C(C)[C@@H](C)OC(=O)[C@@]1(F)CCN(C(C)(C)C)C1 ZINC000810671505 631423434 /nfs/dbraw/zinc/42/34/34/631423434.db2.gz HJUNUOJVYHVSMU-BXUZGUMPSA-N 0 1 257.349 2.707 20 30 CFEDMN CC(=NNc1cnnc2ccccc21)c1cc2n(n1)CCC2 ZINC000841624236 631435142 /nfs/dbraw/zinc/43/51/42/631435142.db2.gz DHPBGWNVNXCHCI-UHFFFAOYSA-N 0 1 292.346 2.609 20 30 CFEDMN C(=NNC1=N[C@H]2CCCC[C@@H]2N1)c1ccc(C2CC2)cc1 ZINC000841633001 631437672 /nfs/dbraw/zinc/43/76/72/631437672.db2.gz MKWRMOHYRLGSHW-HOTGVXAUSA-N 0 1 282.391 2.758 20 30 CFEDMN C=CCN(C)Cc1cc(=O)oc2cc3c(cc12)CCC3 ZINC000121517264 631462171 /nfs/dbraw/zinc/46/21/71/631462171.db2.gz GVBPRELVODZOPS-UHFFFAOYSA-N 0 1 269.344 2.900 20 30 CFEDMN C#CC[C@H](NC(=O)N1CCNC[C@H]1CCC)c1ccccc1 ZINC000841865616 631483841 /nfs/dbraw/zinc/48/38/41/631483841.db2.gz UQERRENCVZQFTE-SJORKVTESA-N 0 1 299.418 2.535 20 30 CFEDMN C=CCNC(=O)C(C#N)C(=O)[C@H](CC)CC1CCCC1 ZINC000842289485 631580231 /nfs/dbraw/zinc/58/02/31/631580231.db2.gz QKQQRLZXXAEKGS-KGLIPLIRSA-N 0 1 276.380 2.604 20 30 CFEDMN C[C@H]1C(N=Nc2cnccn2)CCN1Cc1ccccc1 ZINC000811638237 631589596 /nfs/dbraw/zinc/58/95/96/631589596.db2.gz KPYABYBVWFEVIH-ZDUSSCGKSA-N 0 1 281.363 2.539 20 30 CFEDMN C[C@@H]1C(N=Nc2ccncc2)CCN1Cc1ccccc1 ZINC000811646591 631591305 /nfs/dbraw/zinc/59/13/05/631591305.db2.gz FCHMVXIHROYXHD-CQSZACIVSA-N 0 1 280.375 2.566 20 30 CFEDMN CCN(CC)c1ncc(C=NNC[C@H]2CCSC2)s1 ZINC000811659015 631597471 /nfs/dbraw/zinc/59/74/71/631597471.db2.gz RMMXFWWJPZORMR-LLVKDONJSA-N 0 1 298.481 2.666 20 30 CFEDMN C#CCC1(c2nc(C3(N)CCC3)no2)CCCCC1 ZINC000842619856 631684011 /nfs/dbraw/zinc/68/40/11/631684011.db2.gz DHXNXTVRHUZEFJ-UHFFFAOYSA-N 0 1 259.353 2.633 20 30 CFEDMN C#CC[C@@H]1CCCN(CN2C(=O)[C@H](C)[C@@H]2c2ccccc2)C1 ZINC000842629963 631685830 /nfs/dbraw/zinc/68/58/30/631685830.db2.gz TYWRCJZIWHSMGE-JFIYKMOQSA-N 0 1 296.414 2.899 20 30 CFEDMN C#CC[C@H]1CCCN(Cn2ncc3cc([N+](=O)[O-])ccc32)C1 ZINC000842628190 631685889 /nfs/dbraw/zinc/68/58/89/631685889.db2.gz SUDQQAHLWMAFQV-ZDUSSCGKSA-N 0 1 298.346 2.637 20 30 CFEDMN C#CC1CCN(CN2C[C@@](C)(C3CCCC3)CC2=O)CC1 ZINC000842634734 631687937 /nfs/dbraw/zinc/68/79/37/631687937.db2.gz ZZTDCJPWHHWRRE-SFHVURJKSA-N 0 1 288.435 2.718 20 30 CFEDMN N#CC(C(=O)Cc1ccc2c(c1)CCCO2)c1ccccn1 ZINC000842683734 631705798 /nfs/dbraw/zinc/70/57/98/631705798.db2.gz BOJBOTJNTIOPEB-HNNXBMFYSA-N 0 1 292.338 2.826 20 30 CFEDMN COC1(C(=O)[C@@H](C#N)c2nc3ccccc3s2)CC1 ZINC000842682510 631706402 /nfs/dbraw/zinc/70/64/02/631706402.db2.gz YWQAROJAMKPGHJ-SECBINFHSA-N 0 1 272.329 2.652 20 30 CFEDMN N#CCCCNCc1cc(Br)cnc1Cl ZINC000842695989 631710317 /nfs/dbraw/zinc/71/03/17/631710317.db2.gz HZFLGJGVNKQNEO-UHFFFAOYSA-N 0 1 288.576 2.891 20 30 CFEDMN COC1(C(=O)C(C#N)c2nc(C(C)C)cs2)CC1 ZINC000842728217 631719494 /nfs/dbraw/zinc/71/94/94/631719494.db2.gz BZPIRRIBYJJKQZ-SECBINFHSA-N 0 1 264.350 2.622 20 30 CFEDMN C#CCOc1cccc(Cl)c1CN[C@H]1CO[C@H](C)C1 ZINC000842773537 631736304 /nfs/dbraw/zinc/73/63/04/631736304.db2.gz ABTWRVJTSGRCMQ-VXGBXAGGSA-N 0 1 279.767 2.619 20 30 CFEDMN C#C[C@@H](NC(=O)c1n[nH]c2ccccc21)c1ccc(F)cc1 ZINC000812752239 631767799 /nfs/dbraw/zinc/76/77/99/631767799.db2.gz ZMVCMTGDVIXGEE-CQSZACIVSA-N 0 1 293.301 2.806 20 30 CFEDMN C#C[C@@H](NCc1ccccc1O)c1ccc(F)cc1 ZINC000812793880 631780166 /nfs/dbraw/zinc/78/01/66/631780166.db2.gz IQYVFCNWZXZSMT-OAHLLOKOSA-N 0 1 255.292 2.995 20 30 CFEDMN C=CCC(C)(C)c1noc(-c2csc(CN)n2)n1 ZINC000843234863 631908832 /nfs/dbraw/zinc/90/88/32/631908832.db2.gz KXPYNROTYVRSTO-UHFFFAOYSA-N 0 1 264.354 2.506 20 30 CFEDMN CSCc1cccnc1C(=O)Nc1cc(C#N)ccc1O ZINC000813500700 631927196 /nfs/dbraw/zinc/92/71/96/631927196.db2.gz JHVDHBFSWBWGBZ-UHFFFAOYSA-N 0 1 299.355 2.774 20 30 CFEDMN C#CC1CCN(Cc2c[nH]c(-c3ccccc3)n2)CC1 ZINC000843426685 631954717 /nfs/dbraw/zinc/95/47/17/631954717.db2.gz GLHIJFWVSMIYQV-UHFFFAOYSA-N 0 1 265.360 2.922 20 30 CFEDMN C#CC[C@H]1CCCN(C(=O)[C@@H](c2ccccc2)N(C)CC)C1 ZINC000843672790 632019442 /nfs/dbraw/zinc/01/94/42/632019442.db2.gz CVRMYOGNMMFBSR-FUHWJXTLSA-N 0 1 298.430 2.941 20 30 CFEDMN N#Cc1ccc(CN2CCC(=NOCC3CC3)CC2)cc1 ZINC000814243438 632043867 /nfs/dbraw/zinc/04/38/67/632043867.db2.gz WCHNBMLDHZKNGD-UHFFFAOYSA-N 0 1 283.375 2.937 20 30 CFEDMN C#CC[C@H]1CCCN(C(=O)c2cccc3[nH]c(C)nc32)C1 ZINC000844005500 632093749 /nfs/dbraw/zinc/09/37/49/632093749.db2.gz OTTXKZBYCLXERF-ZDUSSCGKSA-N 0 1 281.359 2.747 20 30 CFEDMN Cc1cc(NN=C2COc3c2cccc3Cl)nc(C)n1 ZINC000814807415 632129131 /nfs/dbraw/zinc/12/91/31/632129131.db2.gz UPQMOMYPZGXMNN-UHFFFAOYSA-N 0 1 288.738 2.955 20 30 CFEDMN Cc1nccc(CN=Nc2ccc([N+](=O)[O-])cc2Cl)n1 ZINC000814832586 632134495 /nfs/dbraw/zinc/13/44/95/632134495.db2.gz IVXDOZGMDMXINF-UHFFFAOYSA-N 0 1 291.698 2.793 20 30 CFEDMN Fc1ccc(N=NCc2ccc3oncc3c2)nc1 ZINC000814842912 632137202 /nfs/dbraw/zinc/13/72/02/632137202.db2.gz URIPGUQKIPSEOU-UHFFFAOYSA-N 0 1 256.240 2.808 20 30 CFEDMN CC(=NNc1cc(F)c(F)cc1F)c1cc[nH]n1 ZINC000814851322 632139068 /nfs/dbraw/zinc/13/90/68/632139068.db2.gz JOYUWMIQWRLZRD-UHFFFAOYSA-N 0 1 254.215 2.663 20 30 CFEDMN O=c1[nH]c(N=NC2CC[C@@H]2C2CC2)nc2ccccc21 ZINC000814869094 632143439 /nfs/dbraw/zinc/14/34/39/632143439.db2.gz ROSTUZLLEVICFG-SNVBAGLBSA-N 0 1 268.320 2.923 20 30 CFEDMN N#Cc1ccc(CNN=C2CCCc3ccc(N)cc32)cc1 ZINC000814882947 632147396 /nfs/dbraw/zinc/14/73/96/632147396.db2.gz TYZGXEUSIHCCCV-UHFFFAOYSA-N 0 1 290.370 2.971 20 30 CFEDMN Cc1cc(Cl)cc(C=NNC2=N[C@@H]3CCCC[C@@H]3N2)c1 ZINC000814885786 632149323 /nfs/dbraw/zinc/14/93/23/632149323.db2.gz JYPRZATVMILLOG-OKILXGFUSA-N 0 1 290.798 2.842 20 30 CFEDMN Cc1sccc1C=NNc1cc(Cl)nc(N)n1 ZINC000814898864 632153955 /nfs/dbraw/zinc/15/39/55/632153955.db2.gz DSSBKTHZDQPVIS-UHFFFAOYSA-N 0 1 267.745 2.528 20 30 CFEDMN Clc1ccnc(NN=C2COc3ccccc32)c1 ZINC000814897613 632154029 /nfs/dbraw/zinc/15/40/29/632154029.db2.gz AKLALRLYHMQPGZ-UHFFFAOYSA-N 0 1 259.696 2.944 20 30 CFEDMN c1cc2c3c(c1)C(=NOC[C@H]1CCOC1)CC[C@H]3CN2 ZINC000814912110 632161495 /nfs/dbraw/zinc/16/14/95/632161495.db2.gz JNZUUBFBTMQFHP-RYUDHWBXSA-N 0 1 272.348 2.747 20 30 CFEDMN C[C@H]1C(N=Nc2cncnc2)CCCN1Cc1ccccc1 ZINC000814926802 632167766 /nfs/dbraw/zinc/16/77/66/632167766.db2.gz KNCYYUYUWGIHSR-AWEZNQCLSA-N 0 1 295.390 2.929 20 30 CFEDMN c1cc2c3c(c1)C(=NN[C@@H]1CCSC1)CC[C@H]3CN2 ZINC000814933038 632170819 /nfs/dbraw/zinc/17/08/19/632170819.db2.gz BRPFMHWVKHTUEF-WDEREUQCSA-N 0 1 273.405 2.789 20 30 CFEDMN CC(=NNc1ccc(F)c(F)c1F)c1cnn(C)c1 ZINC000814944958 632177019 /nfs/dbraw/zinc/17/70/19/632177019.db2.gz FMGCCTHVVXGFKZ-UHFFFAOYSA-N 0 1 268.242 2.674 20 30 CFEDMN N#Cc1csc(CN=Nc2ccc(F)c(F)c2F)n1 ZINC000814946280 632178030 /nfs/dbraw/zinc/17/80/30/632178030.db2.gz IXLNZNFEAOTTGW-UHFFFAOYSA-N 0 1 282.250 2.878 20 30 CFEDMN Cn1nncc1N=NCc1ccc(SC(F)F)cc1 ZINC000814981982 632183759 /nfs/dbraw/zinc/18/37/59/632183759.db2.gz NCEFRXKJMJVUCR-UHFFFAOYSA-N 0 1 283.307 2.576 20 30 CFEDMN Cn1nncc1NN=C1CCCc2ccc(Cl)cc21 ZINC000814982214 632184371 /nfs/dbraw/zinc/18/43/71/632184371.db2.gz RAOYGLFYZOTVJX-UHFFFAOYSA-N 0 1 275.743 2.621 20 30 CFEDMN Cc1c(N=NC2C[N@@H+](C3CC3)C[C@@H]2C)cccc1C(=O)[O-] ZINC000844623024 632266834 /nfs/dbraw/zinc/26/68/34/632266834.db2.gz GYSMABBNIAMNFT-JTQLQIEISA-N 0 1 287.363 2.575 20 30 CFEDMN C=C[C@@H](C)ON=C(C)c1cccc(N2CCOCC2)c1 ZINC000844626093 632268778 /nfs/dbraw/zinc/26/87/78/632268778.db2.gz XPJUTCFEWUMSKC-CYBMUJFWSA-N 0 1 274.364 2.838 20 30 CFEDMN C#CCCCCCC(=O)N1[C@H](C)CN(C)[C@H](C)[C@H]1C ZINC000844642030 632272937 /nfs/dbraw/zinc/27/29/37/632272937.db2.gz GOGNDHBLKXOXTJ-RBSFLKMASA-N 0 1 264.413 2.510 20 30 CFEDMN C=CCS(=O)(=O)CCN[C@@H](C)c1cccc(C2CC2)c1 ZINC000815615327 632297336 /nfs/dbraw/zinc/29/73/36/632297336.db2.gz NQAZMNKQTUWLAU-ZDUSSCGKSA-N 0 1 293.432 2.815 20 30 CFEDMN CC[C@H](CC(=O)C(C#N)C(=O)Nc1ccccn1)C(C)C ZINC000105759818 632363276 /nfs/dbraw/zinc/36/32/76/632363276.db2.gz HFMFURZZIRJQNP-CHWSQXEVSA-N 0 1 287.363 2.801 20 30 CFEDMN C#Cc1cccc(NC(=O)c2cc(-c3ccn(C)c3)n[nH]2)c1 ZINC000816838985 632528801 /nfs/dbraw/zinc/52/88/01/632528801.db2.gz QTKHHEBRTROMIO-UHFFFAOYSA-N 0 1 290.326 2.649 20 30 CFEDMN COCCCCC(=O)C(C#N)=C(O)C1(c2ccccc2)CC1 ZINC000845840028 632577519 /nfs/dbraw/zinc/57/75/19/632577519.db2.gz YKXULPIPOMFYPG-HNNXBMFYSA-N 0 1 299.370 2.813 20 30 CFEDMN C#CCCCC(=O)C(C#N)=C(O)C1(c2ccccc2)CC1 ZINC000845844608 632578513 /nfs/dbraw/zinc/57/85/13/632578513.db2.gz IGFWYAVJDGKKQX-HNNXBMFYSA-N 0 1 279.339 2.800 20 30 CFEDMN N#CC(C(=O)Cc1ccco1)=C(O)C1(c2ccccc2)CC1 ZINC000845841248 632578705 /nfs/dbraw/zinc/57/87/05/632578705.db2.gz MABVQPKGAYGOAT-HNNXBMFYSA-N 0 1 293.322 2.832 20 30 CFEDMN COc1cc(CN=Nc2nccnc2C2CCC2)sn1 ZINC000817328780 632604231 /nfs/dbraw/zinc/60/42/31/632604231.db2.gz NQLQHCIJEGNMJU-UHFFFAOYSA-N 0 1 289.364 2.655 20 30 CFEDMN CCOC(=O)CC(C)(C)CNCC1(C#N)CCCC1 ZINC000846010957 632613624 /nfs/dbraw/zinc/61/36/24/632613624.db2.gz OSCMBXCLEUFAQF-UHFFFAOYSA-N 0 1 266.385 2.639 20 30 CFEDMN C[C@@H](C#N)Oc1ccc(CN2C[C@H]3[C@@H](C2)C3(F)F)cc1 ZINC000846113384 632636061 /nfs/dbraw/zinc/63/60/61/632636061.db2.gz XNSWMWDFEQMKKB-LEWSCRJBSA-N 0 1 278.302 2.674 20 30 CFEDMN C=CC[N@@H+](CCO[C@H](CC)c1ccccc1)CC(=O)[O-] ZINC000846262725 632677227 /nfs/dbraw/zinc/67/72/27/632677227.db2.gz JNMQBZHGVHSRFJ-OAHLLOKOSA-N 0 1 277.364 2.727 20 30 CFEDMN C=CC[N@H+](CCO[C@H](CC)c1ccccc1)CC(=O)[O-] ZINC000846262725 632677230 /nfs/dbraw/zinc/67/72/30/632677230.db2.gz JNMQBZHGVHSRFJ-OAHLLOKOSA-N 0 1 277.364 2.727 20 30 CFEDMN CCOc1ccccc1NC(=O)C(C#N)C(=O)[C@@H]1CC12CC2 ZINC000817714388 632690454 /nfs/dbraw/zinc/69/04/54/632690454.db2.gz SEGUPQOXOOEPEH-NEPJUHHUSA-N 0 1 298.342 2.533 20 30 CFEDMN Cn1c2ccccc2nc1[C@@H](C#N)C(=O)[C@@]1(C)CC1(F)F ZINC000817714617 632690564 /nfs/dbraw/zinc/69/05/64/632690564.db2.gz VIIJMCFETNLPLO-LKFCYVNXSA-N 0 1 289.285 2.795 20 30 CFEDMN Cc1cccc2nc([C@@H](C#N)C(=O)[C@H]3CC34CC4)[nH]c21 ZINC000817717085 632691134 /nfs/dbraw/zinc/69/11/34/632691134.db2.gz MYBUEMNUPLECFF-WDEREUQCSA-N 0 1 265.316 2.848 20 30 CFEDMN C=C(C)CONC(=O)C(C)(C)c1cc(F)cc(C#N)c1 ZINC000846534385 632724410 /nfs/dbraw/zinc/72/44/10/632724410.db2.gz ZIEFVHHBZJZJHN-UHFFFAOYSA-N 0 1 276.311 2.599 20 30 CFEDMN C=C(C)CONC(=O)[C@H](C)[C@@H]1OCCc2sccc21 ZINC000846534304 632724707 /nfs/dbraw/zinc/72/47/07/632724707.db2.gz OYQUKJVAZRKRGJ-MFKMUULPSA-N 0 1 281.377 2.622 20 30 CFEDMN C=C[C@H](C)ONC(=O)[C@@H]1COc2ccc(Cl)cc2C1 ZINC000846543234 632732229 /nfs/dbraw/zinc/73/22/29/632732229.db2.gz MRMRKLGHVYZKMG-ONGXEEELSA-N 0 1 281.739 2.513 20 30 CFEDMN C=C[C@@H](C)ONC(=O)[C@H]1CC(C)(C)Oc2ccccc21 ZINC000846554293 632740713 /nfs/dbraw/zinc/74/07/13/632740713.db2.gz JVCXFMIUWLIQMV-YPMHNXCESA-N 0 1 275.348 2.954 20 30 CFEDMN C#CCSCCNCc1c(F)cc(C)cc1F ZINC000818192711 632810809 /nfs/dbraw/zinc/81/08/09/632810809.db2.gz ZLZFNUSHPOMABJ-UHFFFAOYSA-N 0 1 255.333 2.729 20 30 CFEDMN C#C[C@H]1CCCN([C@H](C)C(=O)Nc2ccc(C)cc2C)C1 ZINC000847022389 632886913 /nfs/dbraw/zinc/88/69/13/632886913.db2.gz HFQHXEAIDVBLMZ-CVEARBPZSA-N 0 1 284.403 2.976 20 30 CFEDMN C#C[C@@H]1CCCN([C@@H](C)C(=O)N[C@@H](C)c2ccccc2C)C1 ZINC000847021898 632887695 /nfs/dbraw/zinc/88/76/95/632887695.db2.gz CTFJDORSYDJBOM-YESZJQIVSA-N 0 1 298.430 2.906 20 30 CFEDMN C#C[C@H]1CCCN([C@@H](C)C(=O)Nc2cc(C)cc(C)c2)C1 ZINC000847022065 632887876 /nfs/dbraw/zinc/88/78/76/632887876.db2.gz FGZLQSLTQJLJGX-HOTGVXAUSA-N 0 1 284.403 2.976 20 30 CFEDMN C#C[C@@H]1CCCN([C@H]2CCCN(c3ccccc3)C2=O)C1 ZINC000847025533 632891561 /nfs/dbraw/zinc/89/15/61/632891561.db2.gz NUOMOUCBKJZMPI-WBVHZDCISA-N 0 1 282.387 2.527 20 30 CFEDMN C#C[C@@H]1CCCN(CC(=O)N(C)[C@H](C)c2ccccc2)C1 ZINC000847029224 632894539 /nfs/dbraw/zinc/89/45/39/632894539.db2.gz MAFRWDFLDXZPBL-HZPDHXFCSA-N 0 1 284.403 2.551 20 30 CFEDMN C#C[C@H]1CCCN([C@H](C)C(=O)Nc2ccc(CC)cc2)C1 ZINC000847031779 632896001 /nfs/dbraw/zinc/89/60/01/632896001.db2.gz UTJFMXCDNKTJJG-ZBFHGGJFSA-N 0 1 284.403 2.921 20 30 CFEDMN CN1CCCc2cc(CNC[C@H](C#N)CCC#N)ccc21 ZINC000818984503 632922685 /nfs/dbraw/zinc/92/26/85/632922685.db2.gz ADGDCMQQDQVUOQ-HNNXBMFYSA-N 0 1 282.391 2.602 20 30 CFEDMN C[C@@H](C#N)CNC[C@H](O)c1cccc2ccccc21 ZINC000819048483 632943014 /nfs/dbraw/zinc/94/30/14/632943014.db2.gz ZQAAGVPIGYKHFL-LRDDRELGSA-N 0 1 254.333 2.622 20 30 CFEDMN C=CCCCCCNC(=O)NCc1cc(CC)[nH]n1 ZINC000847322675 632972420 /nfs/dbraw/zinc/97/24/20/632972420.db2.gz ZSHQGKDCVCUPTB-UHFFFAOYSA-N 0 1 264.373 2.518 20 30 CFEDMN C=C(C)[C@H](CC(=O)OCc1cc(C2CC2)[nH]n1)OCC ZINC000848012040 633185584 /nfs/dbraw/zinc/18/55/84/633185584.db2.gz FMRLBUXSTMPKTL-AWEZNQCLSA-N 0 1 278.352 2.702 20 30 CFEDMN N#Cc1ccc(CCC(=O)OCc2cc(C3CC3)[nH]n2)cc1 ZINC000848014663 633187459 /nfs/dbraw/zinc/18/74/59/633187459.db2.gz DUNOAGNESQKYNO-UHFFFAOYSA-N 0 1 295.342 2.835 20 30 CFEDMN C=C[C@H](C)ONC(=O)c1cccc(C(F)(F)F)c1O ZINC000848244745 633223045 /nfs/dbraw/zinc/22/30/45/633223045.db2.gz CXZRIAGFKKKMBP-ZETCQYMHSA-N 0 1 275.226 2.647 20 30 CFEDMN C#C[C@H]1CCCN(C(=O)c2cnc(-c3ccccc3)[nH]2)C1 ZINC000848273094 633227766 /nfs/dbraw/zinc/22/77/66/633227766.db2.gz JGJHIFUVVOSGSS-ZDUSSCGKSA-N 0 1 279.343 2.562 20 30 CFEDMN C#C[C@@H]1CCCN(C(=O)c2cc(C3CCCCC3)[nH]n2)C1 ZINC000848283110 633231547 /nfs/dbraw/zinc/23/15/47/633231547.db2.gz OJGJHXHICXNWOR-CYBMUJFWSA-N 0 1 285.391 2.943 20 30 CFEDMN c1ccc(CNN=C2CCCN3CCCC[C@@H]23)cc1 ZINC000848403555 633249712 /nfs/dbraw/zinc/24/97/12/633249712.db2.gz XSRRNZNVCDGIBM-INIZCTEOSA-N 0 1 257.381 2.781 20 30 CFEDMN C#C[C@H]1CCCN(Cn2ccc(-c3ccsc3)n2)C1 ZINC000848494668 633266799 /nfs/dbraw/zinc/26/67/99/633266799.db2.gz YQFVOPRRAFDSPK-ZDUSSCGKSA-N 0 1 271.389 2.914 20 30 CFEDMN N#C[C@@H]1CCC[C@@H](NCc2noc3ccccc23)C1 ZINC000848575527 633294564 /nfs/dbraw/zinc/29/45/64/633294564.db2.gz RTVLNOIRQASASF-VXGBXAGGSA-N 0 1 255.321 3.000 20 30 CFEDMN O=C(/C=C\c1cc2n(n1)CCCC2)c1cc(F)ccc1O ZINC000848640261 633306749 /nfs/dbraw/zinc/30/67/49/633306749.db2.gz KRZZKNOCKOPKEX-ALCCZGGFSA-N 0 1 286.306 2.960 20 30 CFEDMN C=CCN(Cc1ccc(/C=C/C(=O)OC)o1)C1CC1 ZINC000848902592 633389433 /nfs/dbraw/zinc/38/94/33/633389433.db2.gz QGLGXDNTCHHPQG-CMDGGOBGSA-N 0 1 261.321 2.616 20 30 CFEDMN Cc1ccc(C(=O)/C=C/c2cc3n(n2)CCC3)c(O)c1 ZINC000849245773 633589115 /nfs/dbraw/zinc/58/91/15/633589115.db2.gz CDDDLSWDOIDLJA-FNORWQNLSA-N 0 1 268.316 2.739 20 30 CFEDMN C#CC[C@@H]1CCC[N@H+](Cc2cc(C(=O)[O-])oc2C)C1 ZINC000849345576 633623956 /nfs/dbraw/zinc/62/39/56/633623956.db2.gz YHAXSVBNTYUEQR-GFCCVEGCSA-N 0 1 261.321 2.522 20 30 CFEDMN C#C[C@H](N[C@H](C)c1ccc2c(c1)CCCO2)[C@H]1CCCO1 ZINC000850460689 634002693 /nfs/dbraw/zinc/00/26/93/634002693.db2.gz BIOCKXLDOARKEO-RPVQJOFSSA-N 0 1 285.387 2.843 20 30 CFEDMN CN(C)c1cc(F)c(CN[C@@H]2CC[C@H](C#N)C2)cc1F ZINC000858182655 636149789 /nfs/dbraw/zinc/14/97/89/636149789.db2.gz BRXGXRLMZTYVSY-CMPLNLGQSA-N 0 1 279.334 2.813 20 30 CFEDMN Cc1cc(C(C#N)C(=O)[C@@H]2CCC2(C)C)nc(C)n1 ZINC000850755789 634080750 /nfs/dbraw/zinc/08/07/50/634080750.db2.gz LFECCGYMMGESLA-RYUDHWBXSA-N 0 1 257.337 2.706 20 30 CFEDMN Cc1cc(C(C#N)C(=O)[C@@H]2CCC[C@H]3C[C@H]32)nc(C)n1 ZINC000850754916 634080778 /nfs/dbraw/zinc/08/07/78/634080778.db2.gz ADGNFJPZGZCCCO-DGAVXFQQSA-N 0 1 269.348 2.706 20 30 CFEDMN C=CCNC(=O)C(C#N)C(=O)C1CC(C)(C)CC(C)(C)C1 ZINC000850760278 634081304 /nfs/dbraw/zinc/08/13/04/634081304.db2.gz RFVZSEBLJYVPBA-ZDUSSCGKSA-N 0 1 290.407 2.850 20 30 CFEDMN CC(C)NC(=O)C(C#N)C(=O)C1CC2(C1)CCCCC2 ZINC000850761373 634081801 /nfs/dbraw/zinc/08/18/01/634081801.db2.gz LJAWEPSNAVMJNU-CYBMUJFWSA-N 0 1 276.380 2.580 20 30 CFEDMN Cc1cc(C(C#N)C(=O)C2CC3(CC3(F)F)C2)nc(C)n1 ZINC000850756991 634081858 /nfs/dbraw/zinc/08/18/58/634081858.db2.gz YENSQAJFKYZXEI-IQLKVPPVSA-N 0 1 291.301 2.705 20 30 CFEDMN Cc1cccc2nc([C@H](C#N)C(=O)CCCF)[nH]c21 ZINC000850849931 634109816 /nfs/dbraw/zinc/10/98/16/634109816.db2.gz MSLUOLOOADRUKK-SNVBAGLBSA-N 0 1 259.284 2.797 20 30 CFEDMN N#C[C@H](C(=O)C1CCC2(CC2)CC1)c1ccncn1 ZINC000850948600 634149769 /nfs/dbraw/zinc/14/97/69/634149769.db2.gz UPUCAINCFQEMBA-LBPRGKRZSA-N 0 1 255.321 2.623 20 30 CFEDMN C[C@H](CC#N)C(=O)C(C#N)=C(O)C1(c2ccccc2)CC1 ZINC000851109471 634226126 /nfs/dbraw/zinc/22/61/26/634226126.db2.gz KGJKSQDFUFSDHI-TZMCWYRMSA-N 0 1 280.327 2.546 20 30 CFEDMN C=CC[C@@H](C(=O)O[C@H](C)c1nnc[nH]1)c1ccccc1 ZINC000853226488 634944901 /nfs/dbraw/zinc/94/49/01/634944901.db2.gz XTKLJLOQYLTADJ-DGCLKSJQSA-N 0 1 271.320 2.769 20 30 CFEDMN CCc1cc(CNc2cc(C)c([N+](=O)[O-])c(C#N)c2)n[nH]1 ZINC000853323100 634968447 /nfs/dbraw/zinc/96/84/47/634968447.db2.gz PLANVTJUKUMMKA-UHFFFAOYSA-N 0 1 285.307 2.673 20 30 CFEDMN CC(=NNc1ccncc1F)c1cnn(C(C)C)c1C ZINC000853402208 634995349 /nfs/dbraw/zinc/99/53/49/634995349.db2.gz RNWQNTIIIWRUOE-UHFFFAOYSA-N 0 1 275.331 2.565 20 30 CFEDMN Cc1cc(C)c2c(c1)C(=NNc1ccncc1F)CCO2 ZINC000853402263 634995600 /nfs/dbraw/zinc/99/56/00/634995600.db2.gz UBTYWUQZUPJXOI-UHFFFAOYSA-N 0 1 285.322 2.858 20 30 CFEDMN Clc1ccc(NN=Cc2ccnn2CC2CC2)nc1 ZINC000853434832 634998530 /nfs/dbraw/zinc/99/85/30/634998530.db2.gz JUKVIOIHHLOFMI-UHFFFAOYSA-N 0 1 275.743 2.788 20 30 CFEDMN C#C[C@H](C)N(C)c1nccc2cc(OC)c(OC)cc21 ZINC000853540607 635031879 /nfs/dbraw/zinc/03/18/79/635031879.db2.gz MEXHCDFAINZZLK-NSHDSACASA-N 0 1 270.332 2.710 20 30 CFEDMN C=CC[C@H]1CCCN(CN2C[C@@H](c3ccccn3)CC2=O)C1 ZINC000853536855 635032185 /nfs/dbraw/zinc/03/21/85/635032185.db2.gz JOPFCJNWJIVGKD-HOTGVXAUSA-N 0 1 299.418 2.643 20 30 CFEDMN C=CC[C@H]1CCCN(Cn2cnc(-c3ccccn3)n2)C1 ZINC000853536595 635032202 /nfs/dbraw/zinc/03/22/02/635032202.db2.gz FHUWWPOSCSWFRZ-AWEZNQCLSA-N 0 1 283.379 2.586 20 30 CFEDMN C=C1C[C@H]2CC[C@@H](C1)N2CN1C[C@@H](c2cccnc2)CC1=O ZINC000853598945 635046224 /nfs/dbraw/zinc/04/62/24/635046224.db2.gz ZCSARRYXLUIKJL-YESZJQIVSA-N 0 1 297.402 2.538 20 30 CFEDMN C=CCCONC(=O)Cc1nc(-c2cccs2)oc1C ZINC000856030262 635705734 /nfs/dbraw/zinc/70/57/34/635705734.db2.gz UZOHGKJBCBTERU-UHFFFAOYSA-N 0 1 292.360 2.878 20 30 CFEDMN C=CCCO[N-]C(=O)[C@@H]1CCCC[N@H+]1Cc1ccccc1 ZINC000856032158 635708033 /nfs/dbraw/zinc/70/80/33/635708033.db2.gz IYTWVEMHNWONMU-INIZCTEOSA-N 0 1 288.391 2.665 20 30 CFEDMN C=C1C[C@H]2CC[C@@H](C1)N2C(=O)c1nc[nH]c1C(F)(F)F ZINC000856201148 635755541 /nfs/dbraw/zinc/75/55/41/635755541.db2.gz UYEJXBTUALBJPS-DTORHVGOSA-N 0 1 285.269 2.752 20 30 CFEDMN C[C@@H](CC1CCCC1)C(=O)C(C#N)C(=O)Nc1ccccn1 ZINC000114618639 635866114 /nfs/dbraw/zinc/86/61/14/635866114.db2.gz FJZKKCVZPUEBOJ-JSGCOSHPSA-N 0 1 299.374 2.945 20 30 CFEDMN COCC1(C(=O)Nc2cc(C#N)ccc2O)CCCCC1 ZINC000857143935 635935599 /nfs/dbraw/zinc/93/55/99/635935599.db2.gz CHQQDTMWCQTIOE-UHFFFAOYSA-N 0 1 288.347 2.799 20 30 CFEDMN O=c1nc(NN=C[C@H]2CCCOCC2)[nH]c2ccccc12 ZINC000857208748 635947025 /nfs/dbraw/zinc/94/70/25/635947025.db2.gz GZJSMJBJSHSOJZ-NSHDSACASA-N 0 1 286.335 2.550 20 30 CFEDMN O=c1[nH]c(N=NC[C@H]2CCCOCC2)nc2ccccc21 ZINC000857208748 635947029 /nfs/dbraw/zinc/94/70/29/635947029.db2.gz GZJSMJBJSHSOJZ-NSHDSACASA-N 0 1 286.335 2.550 20 30 CFEDMN CCCc1ccc(C=NNC2=N[C@@H]3CCCC[C@H]3N2)s1 ZINC000857212182 635947658 /nfs/dbraw/zinc/94/76/58/635947658.db2.gz VKUZSEUYYCDEJI-ZIAGYGMSSA-N 0 1 290.436 2.895 20 30 CFEDMN CCCCCCCCC(=O)N1C[C@@H](C)N[C@@H](C)C1 ZINC000115064373 635964364 /nfs/dbraw/zinc/96/43/64/635964364.db2.gz SFMZBTCKEKOOFD-OKILXGFUSA-N 0 1 254.418 2.946 20 30 CFEDMN N#CCc1ccc(CN[C@@H]2CCCc3c[nH]nc32)cc1 ZINC000857873571 636044161 /nfs/dbraw/zinc/04/41/61/636044161.db2.gz ZPTNFXRMHQJSDH-OAHLLOKOSA-N 0 1 266.348 2.643 20 30 CFEDMN C=CCN1CCC(Nc2nc(Cl)cs2)CC1 ZINC000858401091 636220925 /nfs/dbraw/zinc/22/09/25/636220925.db2.gz PKONRDAFELHROG-UHFFFAOYSA-N 0 1 257.790 2.859 20 30 CFEDMN C#CC[C@@H](COC)Nc1ccnc2cc(F)c(OC)cc21 ZINC000858860455 636362885 /nfs/dbraw/zinc/36/28/85/636362885.db2.gz LCZZJNCXRVZORG-NSHDSACASA-N 0 1 288.322 2.833 20 30 CFEDMN Cc1nn(C)cc1[C@H](C)NCc1ccc(C)c(C#N)c1 ZINC000859231137 636516840 /nfs/dbraw/zinc/51/68/40/636516840.db2.gz UMWHGZCXSJPAAD-LBPRGKRZSA-N 0 1 268.364 2.759 20 30 CFEDMN CN(CCC1CN(C(=O)OC(C)(C)C)C1)CC(C)(C)C#N ZINC000859316049 636540088 /nfs/dbraw/zinc/54/00/88/636540088.db2.gz VMYSMXJYOFSOAB-UHFFFAOYSA-N 0 1 295.427 2.725 20 30 CFEDMN CCC[C@@H](C)CCCN1CCC(C#N)(C(=O)OC)CC1 ZINC000859323772 636542332 /nfs/dbraw/zinc/54/23/32/636542332.db2.gz CMNFKHQTYUPCTF-CQSZACIVSA-N 0 1 280.412 2.982 20 30 CFEDMN N#Cc1ccc(O)c(NC(=O)c2ccn(C3CCCC3)n2)c1 ZINC000159864632 650282069 /nfs/dbraw/zinc/28/20/69/650282069.db2.gz UAHQQRKHZYWNPA-UHFFFAOYSA-N 0 1 296.330 2.828 20 30 CFEDMN CCCCCNC(=O)C(C#N)C(=O)C[C@@H](C)CCC ZINC000194581932 636790620 /nfs/dbraw/zinc/79/06/20/636790620.db2.gz WLCZOPLVQZZFRK-STQMWFEESA-N 0 1 266.385 2.828 20 30 CFEDMN N#CC(C(=O)C12CC(C1)C2)c1nc2ccccc2[nH]1 ZINC000860450426 636887876 /nfs/dbraw/zinc/88/78/76/636887876.db2.gz SIBYLWAMKQAVRR-VOZQYIJBSA-N 0 1 251.289 2.539 20 30 CFEDMN CCc1nocc1C(=O)C(C#N)C(=O)Nc1cccc(C)c1 ZINC000860467501 636892225 /nfs/dbraw/zinc/89/22/25/636892225.db2.gz CGJSAZRAJJXMNN-LBPRGKRZSA-N 0 1 297.314 2.507 20 30 CFEDMN CCCC[C@H](CC)CC(=O)[C@H](C#N)C(=O)NC1CC1 ZINC000117532386 636896393 /nfs/dbraw/zinc/89/63/93/636896393.db2.gz CTIPTEJRGQOEAZ-AAEUAGOBSA-N 0 1 264.369 2.580 20 30 CFEDMN C=CC1CCN(Cn2cnc(-c3ccccc3)n2)CC1 ZINC000117864007 637029036 /nfs/dbraw/zinc/02/90/36/637029036.db2.gz UBMQOINKTIMIOV-UHFFFAOYSA-N 0 1 268.364 2.801 20 30 CFEDMN C#CC[C@@H]1CCN(Cc2ccc([N+](=O)[O-])cc2F)C1 ZINC000862444457 637384747 /nfs/dbraw/zinc/38/47/47/637384747.db2.gz AOLQGHLVBDWPNQ-LLVKDONJSA-N 0 1 262.284 2.579 20 30 CFEDMN CCC(=NNCCc1ccncc1)c1ccc(N)cc1 ZINC000863110932 637559584 /nfs/dbraw/zinc/55/95/84/637559584.db2.gz HMJIZLMRSQTXTR-UHFFFAOYSA-N 0 1 268.364 2.610 20 30 CFEDMN CCc1ccc(C(CC(C)C)=NNC2=NCCN2)cc1 ZINC000863119580 637563196 /nfs/dbraw/zinc/56/31/96/637563196.db2.gz FPGQQJRPJWEKFS-UHFFFAOYSA-N 0 1 272.396 2.548 20 30 CFEDMN Cc1c(N=NC2CC[N@H+](C)C(C)(C)C2)cccc1C(=O)[O-] ZINC000863123073 637565124 /nfs/dbraw/zinc/56/51/24/637565124.db2.gz CDZXFDYXYVVPKF-UHFFFAOYSA-N 0 1 289.379 2.965 20 30 CFEDMN Cc1cnccc1NN=Cc1cnc([C@@H]2CCCO2)s1 ZINC000863156771 637570089 /nfs/dbraw/zinc/57/00/89/637570089.db2.gz BGQWWZJVOMFZKR-ZDUSSCGKSA-N 0 1 288.376 2.566 20 30 CFEDMN CC(=NNc1ccncc1C)c1ccc(C)c(C)c1O ZINC000863157941 637571145 /nfs/dbraw/zinc/57/11/45/637571145.db2.gz WAKVYAZCEFJQPG-UHFFFAOYSA-N 0 1 269.348 2.970 20 30 CFEDMN CCN(CC)c1ncc(C=[NH+][N-]c2ccncc2C)s1 ZINC000863157943 637571946 /nfs/dbraw/zinc/57/19/46/637571946.db2.gz WBYIVCVUVYLQHP-UHFFFAOYSA-N 0 1 289.408 2.561 20 30 CFEDMN COc1ccc2c(c1)C(=NNc1ccncc1C)CC2 ZINC000863157470 637572015 /nfs/dbraw/zinc/57/20/15/637572015.db2.gz MYMXBJJFIFEZRB-UHFFFAOYSA-N 0 1 267.332 2.583 20 30 CFEDMN Cc1cccc(N=NCc2cc(C(F)(F)F)nn2C)n1 ZINC000863160510 637575846 /nfs/dbraw/zinc/57/58/46/637575846.db2.gz IDAMNRRTDBKXKJ-UHFFFAOYSA-N 0 1 283.257 2.588 20 30 CFEDMN C[C@@H]1CC(=Nn2cccn2)CN(Cc2ccccc2)C1 ZINC000863164104 637576437 /nfs/dbraw/zinc/57/64/37/637576437.db2.gz AQFNMUYUDKITOF-CQSZACIVSA-N 0 1 268.364 2.629 20 30 CFEDMN C=CCn1c(=O)[nH]nc1SCCC(F)=C(F)F ZINC000863314612 637624446 /nfs/dbraw/zinc/62/44/46/637624446.db2.gz QYZSXISCRWOHES-UHFFFAOYSA-N 0 1 265.260 2.730 20 30 CFEDMN CCCCCCCN[C@H](C(N)=O)c1ccc(C#N)cc1 ZINC000863375704 637644825 /nfs/dbraw/zinc/64/48/25/637644825.db2.gz AUKZYPZQWUXHOE-HNNXBMFYSA-N 0 1 273.380 2.645 20 30 CFEDMN C#C[C@@H](NC(=O)CN(C)C1CCC1)c1ccc(Cl)cc1 ZINC000863917978 637811529 /nfs/dbraw/zinc/81/15/29/637811529.db2.gz DIXKVUGVEXKMET-OAHLLOKOSA-N 0 1 290.794 2.615 20 30 CFEDMN Cn1c2ccccc2nc1C(C#N)C(=O)C[C@@H]1CCCCO1 ZINC000119833960 637853030 /nfs/dbraw/zinc/85/30/30/637853030.db2.gz DFMJSUKNTMEYBK-QWHCGFSZSA-N 0 1 297.358 2.709 20 30 CFEDMN C=C(C)C[C@H]([NH2+]Cc1ncc(C(C)(C)C)s1)C(=O)[O-] ZINC000864530006 638013276 /nfs/dbraw/zinc/01/32/76/638013276.db2.gz QMCPENMJYLHLEP-JTQLQIEISA-N 0 1 282.409 2.950 20 30 CFEDMN C=C(C)C[C@H]([NH2+]Cc1ncc(C(C)C)s1)C(=O)[O-] ZINC000864529757 638013329 /nfs/dbraw/zinc/01/33/29/638013329.db2.gz LWEWJCPIZNLIAD-JTQLQIEISA-N 0 1 268.382 2.776 20 30 CFEDMN C=C(Br)CSc1nc(-c2cccnc2)n[nH]1 ZINC000076698746 650399116 /nfs/dbraw/zinc/39/91/16/650399116.db2.gz JBLWVLIDXPOPTG-UHFFFAOYSA-N 0 1 297.181 2.867 20 30 CFEDMN C[C@@H]1CCC[C@@H](C(=O)C(C#N)C(=O)NC2CCCCC2)C1 ZINC000076826695 650406226 /nfs/dbraw/zinc/40/62/26/650406226.db2.gz WRPNXTIHAOFXDK-UMVBOHGHSA-N 0 1 290.407 2.970 20 30 CFEDMN C#CCSCCNCc1c(Cl)cncc1Cl ZINC000865471468 638358373 /nfs/dbraw/zinc/35/83/73/638358373.db2.gz SQGUGUHKIPGEOI-UHFFFAOYSA-N 0 1 275.204 2.844 20 30 CFEDMN C=C(CC)CNCc1cnc(NC(=O)OC(C)(C)C)cn1 ZINC000865594372 638447175 /nfs/dbraw/zinc/44/71/75/638447175.db2.gz VLLXNRXJRJFNPR-UHFFFAOYSA-N 0 1 292.383 2.879 20 30 CFEDMN N#C[C@H]1CC[C@@H](Nc2ccncc2C(F)(F)F)C1 ZINC000865890253 638645820 /nfs/dbraw/zinc/64/58/20/638645820.db2.gz UDXCDYXBPOTPPO-DTWKUNHWSA-N 0 1 255.243 2.626 20 30 CFEDMN C[N@H+]1CCN(c2nc(C#N)c(Cl)s2)CCC1(C)C ZINC000866112860 638743142 /nfs/dbraw/zinc/74/31/42/638743142.db2.gz LZFVKZQSYKSJAY-UHFFFAOYSA-N 0 1 284.816 2.589 20 30 CFEDMN C[C@H]([NH2+][C@H]1CCCc2c[nH]nc21)c1cccc(C#N)c1[O-] ZINC000866304932 638793217 /nfs/dbraw/zinc/79/32/17/638793217.db2.gz BTZRTLRYOKFASX-HZMBPMFUSA-N 0 1 282.347 2.715 20 30 CFEDMN C#CCOc1ccc([C@@H](C)N[C@@H](C)c2ccnn2C)cc1 ZINC000866612442 638854306 /nfs/dbraw/zinc/85/43/06/638854306.db2.gz IYWPLJLDUWATOJ-KGLIPLIRSA-N 0 1 283.375 2.844 20 30 CFEDMN N#Cc1ccc2c(c1)CCN[C@H]2C(=O)N1CCCCCCC1 ZINC000867944217 638907580 /nfs/dbraw/zinc/90/75/80/638907580.db2.gz ALEQZMKUPOPNAQ-QGZVFWFLSA-N 0 1 297.402 2.538 20 30 CFEDMN CC[C@@H]1CC[C@H](C)N1C(=O)[C@H]1NCCc2cc(C#N)ccc21 ZINC000867977425 638910195 /nfs/dbraw/zinc/91/01/95/638910195.db2.gz HCKAXDCYUHEXCO-MJEQTWJJSA-N 0 1 297.402 2.535 20 30 CFEDMN Cn1ncc(Cl)c1/C=C/C(=O)c1ccc(O)c(F)c1 ZINC000122678120 639308728 /nfs/dbraw/zinc/30/87/28/639308728.db2.gz GOKUSCGOGYUKQU-HWKANZROSA-N 0 1 280.686 2.814 20 30 CFEDMN N#CC(C(=O)c1c(Cl)n[nH]c1C1CC1)c1ccccn1 ZINC000870137055 639528075 /nfs/dbraw/zinc/52/80/75/639528075.db2.gz VHEGQLICKDJXBH-SECBINFHSA-N 0 1 286.722 2.826 20 30 CFEDMN C[C@@H]1CCC[C@]1(C)C(=O)NOc1cccc(C#N)c1 ZINC000870689741 639772300 /nfs/dbraw/zinc/77/23/00/639772300.db2.gz AURYCSNTINSYIM-ABAIWWIYSA-N 0 1 258.321 2.795 20 30 CFEDMN CC[C@H](C)CC[C@@H](O)CC(=O)NOc1cccc(C#N)c1 ZINC000870689769 639772548 /nfs/dbraw/zinc/77/25/48/639772548.db2.gz BEYOKIZXLXKDGZ-GXTWGEPZSA-N 0 1 290.363 2.546 20 30 CFEDMN Cc1ccc(N(CCC#N)C(=O)CCc2cnc[nH]2)cc1 ZINC000192971570 650613260 /nfs/dbraw/zinc/61/32/60/650613260.db2.gz CEWSFDDLVUZRFC-UHFFFAOYSA-N 0 1 282.347 2.598 20 30 CFEDMN C=C(C)C(C)(C)C(=O)Nc1nc2ccc(C#N)cc2[nH]1 ZINC000871071881 641185037 /nfs/dbraw/zinc/18/50/37/641185037.db2.gz GIFOILCCTZRHDE-UHFFFAOYSA-N 0 1 268.320 2.975 20 30 CFEDMN CCOC1CC(CC(=O)Nc2nc3ccc(C#N)cc3[nH]2)C1 ZINC000871072982 641186008 /nfs/dbraw/zinc/18/60/08/641186008.db2.gz PTYVEXNQCZQMGH-UHFFFAOYSA-N 0 1 298.346 2.578 20 30 CFEDMN N#Cc1ccc2nc(NC(=O)C[C@@H]3CC[C@@H]4C[C@@H]43)[nH]c2c1 ZINC000871072365 641186308 /nfs/dbraw/zinc/18/63/08/641186308.db2.gz KFGQCVACNFBVET-WOPDTQHZSA-N 0 1 280.331 2.809 20 30 CFEDMN N#Cc1ccc2nc(NC(=O)[C@@H]3CCCC34CC4)[nH]c2c1 ZINC000871073021 641186918 /nfs/dbraw/zinc/18/69/18/641186918.db2.gz ZSSOPQPLKBGEGK-NSHDSACASA-N 0 1 280.331 2.953 20 30 CFEDMN C#CCCOc1ccc(CN2CCC(C#N)CC2)cc1 ZINC000123730823 641397555 /nfs/dbraw/zinc/39/75/55/641397555.db2.gz QRQCGBICNDZBMZ-UHFFFAOYSA-N 0 1 268.360 2.824 20 30 CFEDMN C#CCN1CCC(N(C)C(=O)c2coc3ccccc32)CC1 ZINC001006476866 650659026 /nfs/dbraw/zinc/65/90/26/650659026.db2.gz WFVQPNMNWIRUIV-UHFFFAOYSA-N 0 1 296.370 2.602 20 30 CFEDMN CCO[C@H](C)C(=O)C(C#N)c1nc(C(C)C)cs1 ZINC000080459628 650675546 /nfs/dbraw/zinc/67/55/46/650675546.db2.gz PLVASNGPVOMTSU-ZJUUUORDSA-N 0 1 266.366 2.868 20 30 CFEDMN C#C[C@H]1CC[C@H](N[C@H](c2ncc[nH]2)c2cccnc2)CC1 ZINC000872139589 641666944 /nfs/dbraw/zinc/66/69/44/641666944.db2.gz MKMJKXHFEYMFOP-BPUTZDHNSA-N 0 1 280.375 2.676 20 30 CFEDMN C=C(C)[C@@H](NC[C@H](O)CC(C)(C)O)c1ccc(F)c(F)c1 ZINC000872206139 641701227 /nfs/dbraw/zinc/70/12/27/641701227.db2.gz PBNSOSCEKXJGQZ-IUODEOHRSA-N 0 1 299.361 2.694 20 30 CFEDMN CC(C)(C)c1csc(CN=Nc2ccncn2)n1 ZINC000872380527 641782793 /nfs/dbraw/zinc/78/27/93/641782793.db2.gz KQQNLANVWVFPNQ-UHFFFAOYSA-N 0 1 261.354 2.677 20 30 CFEDMN C[C@H](NN=Cc1ccc(F)c(F)c1O)C(F)(F)F ZINC000872379970 641783068 /nfs/dbraw/zinc/78/30/68/641783068.db2.gz AHAINXAROQZZGK-YFKPBYRVSA-N 0 1 268.185 2.545 20 30 CFEDMN O=[N+]([O-])c1ccc(O)cc1C=NNC[C@@H]1CCCC1(F)F ZINC000872405173 641793920 /nfs/dbraw/zinc/79/39/20/641793920.db2.gz HHWIPIRXAWNMEP-JTQLQIEISA-N 0 1 299.277 2.659 20 30 CFEDMN Cc1cc(N=NC(CC(C)C)c2ccncc2)nc(N)n1 ZINC000872421830 641806581 /nfs/dbraw/zinc/80/65/81/641806581.db2.gz ZVXOMQKEBHOZAQ-UHFFFAOYSA-N 0 1 284.367 2.625 20 30 CFEDMN CC(C)c1cc([C@@H]2CCCN(c3nccnc3C#N)C2)[nH]n1 ZINC000872648917 641885425 /nfs/dbraw/zinc/88/54/25/641885425.db2.gz QIJSZCGZBNNACT-GFCCVEGCSA-N 0 1 296.378 2.579 20 30 CFEDMN COc1cc(C)cc(CN(C)[C@@H]2CCC[C@@H]2C#N)c1O ZINC000872682361 641894925 /nfs/dbraw/zinc/89/49/25/641894925.db2.gz PAJYFBGTEKPWEU-TZMCWYRMSA-N 0 1 274.364 2.833 20 30 CFEDMN COc1cc(CN(C)[C@@H]2CCC[C@@H]2C#N)c(O)cc1C ZINC000872685431 641895827 /nfs/dbraw/zinc/89/58/27/641895827.db2.gz ZEGSEEIJGICQHF-TZMCWYRMSA-N 0 1 274.364 2.833 20 30 CFEDMN N#Cc1c(F)cccc1CNC[C@@H]1CSCCS1 ZINC000873074849 642005061 /nfs/dbraw/zinc/00/50/61/642005061.db2.gz PLXSCMVQLXYLSV-LLVKDONJSA-N 0 1 282.409 2.636 20 30 CFEDMN CCC[C@@H](CC)C(=O)C(C#N)C(=O)NC1CCCCC1 ZINC000873498767 642224214 /nfs/dbraw/zinc/22/42/14/642224214.db2.gz YBPVERMJGSBHKP-OCCSQVGLSA-N 0 1 278.396 2.970 20 30 CFEDMN C#Cc1cccc(NC(=O)[C@@H]2CCN2C2CCCC2)c1 ZINC000873893260 642304936 /nfs/dbraw/zinc/30/49/36/642304936.db2.gz CMTDCBNRXPAYBF-INIZCTEOSA-N 0 1 268.360 2.623 20 30 CFEDMN N#CCOc1cccc(NC(=O)[C@H]2CCN2C2CCCC2)c1 ZINC000874069783 642333464 /nfs/dbraw/zinc/33/34/64/642333464.db2.gz JCGOICVWFLNSMA-MRXNPFEDSA-N 0 1 299.374 2.544 20 30 CFEDMN C=CC(C)(C)CCCNC(=O)N(C)[C@@H]1CC[N@H+](C2CC2)C1 ZINC000876321337 642823683 /nfs/dbraw/zinc/82/36/83/642823683.db2.gz MEEFOGJSWFJIFJ-OAHLLOKOSA-N 0 1 293.455 2.857 20 30 CFEDMN CCCCCCC[C@@H](C)CNC(=O)c1cnc(CN)nc1 ZINC000876611434 642943799 /nfs/dbraw/zinc/94/37/99/642943799.db2.gz FNASEGQFMWTCBZ-CYBMUJFWSA-N 0 1 292.427 2.662 20 30 CFEDMN C[C@H](CCC#N)CN1CCN(C(=O)OC(C)(C)C)C[C@H]1C ZINC000876644356 642956609 /nfs/dbraw/zinc/95/66/09/642956609.db2.gz WAUJDSGZXQDCOB-ZIAGYGMSSA-N 0 1 295.427 2.867 20 30 CFEDMN N#CC1CCN(Cc2ccccc2OCCCCO)CC1 ZINC000876653935 642960187 /nfs/dbraw/zinc/96/01/87/642960187.db2.gz WGXTZVSCPBPWJN-UHFFFAOYSA-N 0 1 288.391 2.573 20 30 CFEDMN N#Cc1cnc(Cl)c(CNCCSC(F)(F)F)c1 ZINC000876938374 643073325 /nfs/dbraw/zinc/07/33/25/643073325.db2.gz BVEZMIFPLKVAOE-UHFFFAOYSA-N 0 1 295.717 2.949 20 30 CFEDMN CCCCCCCNC(=O)[C@H]1NCCc2cc(C#N)ccc21 ZINC000876989043 643095777 /nfs/dbraw/zinc/09/57/77/643095777.db2.gz SGWGKFCTZAEPJQ-KRWDZBQOSA-N 0 1 299.418 2.832 20 30 CFEDMN Cc1nc2c(s1)[C@H](NCc1cccc(C#N)n1)CCC2 ZINC000877181572 643192296 /nfs/dbraw/zinc/19/22/96/643192296.db2.gz DGLONRWMKDFGIR-CYBMUJFWSA-N 0 1 284.388 2.885 20 30 CFEDMN CC1(C)SC[C@@H]1NCc1cc(C#N)cnc1Cl ZINC000877503788 643314307 /nfs/dbraw/zinc/31/43/07/643314307.db2.gz ASHDFMFZFDGOLK-JTQLQIEISA-N 0 1 267.785 2.590 20 30 CFEDMN C#C[C@H](NC[C@@H](OC)[C@H]1CCOC1)c1ccc(Cl)cc1 ZINC000877540701 643342891 /nfs/dbraw/zinc/34/28/91/643342891.db2.gz GMHVVTFTGJOVJW-CWRNSKLLSA-N 0 1 293.794 2.655 20 30 CFEDMN CCC[C@H](CNCc1cc(C#N)cnc1Cl)OC ZINC000877556453 643357684 /nfs/dbraw/zinc/35/76/84/643357684.db2.gz RIGBZMPRGCSVLN-GFCCVEGCSA-N 0 1 267.760 2.511 20 30 CFEDMN CC(F)(F)CCNCc1cc(C#N)cnc1Cl ZINC000877557146 643358289 /nfs/dbraw/zinc/35/82/89/643358289.db2.gz GXNMXSHXPYPFIS-UHFFFAOYSA-N 0 1 259.687 2.742 20 30 CFEDMN C#Cc1cccc(CNCc2ncc(C)c(OC)c2C)c1 ZINC000877575502 643372992 /nfs/dbraw/zinc/37/29/92/643372992.db2.gz WMMOSEPUPRUGAJ-UHFFFAOYSA-N 0 1 280.371 2.978 20 30 CFEDMN C[C@H]1C[C@@H](NCc2cc(C#N)cnc2Cl)CS1 ZINC000877587920 643382864 /nfs/dbraw/zinc/38/28/64/643382864.db2.gz JSHBXGDFAIOWTK-GZMMTYOYSA-N 0 1 267.785 2.590 20 30 CFEDMN CO[C@@H]1CCCC[C@H]1NCc1cc(C#N)cnc1Cl ZINC000877612738 643399158 /nfs/dbraw/zinc/39/91/58/643399158.db2.gz NDPJSIJQDTTXKB-CHWSQXEVSA-N 0 1 279.771 2.654 20 30 CFEDMN CN(C)c1ccc(C#N)cc1CN1CCC[C@@H](CC#N)C1 ZINC000877622263 643409595 /nfs/dbraw/zinc/40/95/95/643409595.db2.gz JSKRBOSXYDXVDW-AWEZNQCLSA-N 0 1 282.391 2.750 20 30 CFEDMN C=CC[C@@H]1CCCN(Cc2ccc(Cl)nn2)C1 ZINC000877624099 643410428 /nfs/dbraw/zinc/41/04/28/643410428.db2.gz JPYUWBBETXSSCX-LLVKDONJSA-N 0 1 251.761 2.918 20 30 CFEDMN Cc1csc([C@H]2CCN(Cc3cccc(C#N)n3)C2)n1 ZINC000877814980 643579317 /nfs/dbraw/zinc/57/93/17/643579317.db2.gz ZDQUOJYLNSRJSA-LBPRGKRZSA-N 0 1 284.388 2.708 20 30 CFEDMN C=CC[C@H](C)[N@H+]1Cc2c(OC)ccc(OC)c2[C@H](O)C1 ZINC000877964734 643666777 /nfs/dbraw/zinc/66/67/77/643666777.db2.gz SDCSGPYNQUNPDI-WCQYABFASA-N 0 1 277.364 2.517 20 30 CFEDMN C=CC[C@H](C)N1Cc2c(OC)ccc(OC)c2[C@H](O)C1 ZINC000877964734 643666782 /nfs/dbraw/zinc/66/67/82/643666782.db2.gz SDCSGPYNQUNPDI-WCQYABFASA-N 0 1 277.364 2.517 20 30 CFEDMN C=CC[C@@H](C)N1CCN(C(=O)c2ccc(C)c(F)c2)CC1 ZINC000877975916 643675277 /nfs/dbraw/zinc/67/52/77/643675277.db2.gz MHVCGQZTHSSDFT-CQSZACIVSA-N 0 1 290.382 2.857 20 30 CFEDMN C=CC[C@H](C(=O)OC)N(C)CCCc1ccc(OC)cc1 ZINC000877988067 643681371 /nfs/dbraw/zinc/68/13/71/643681371.db2.gz BRCNVBBMBYMOPX-MRXNPFEDSA-N 0 1 291.391 2.677 20 30 CFEDMN C#Cc1cccc(NC(=O)[C@@H]2c3cn[nH]c3CC[C@@H]2C)c1 ZINC000878052730 643715434 /nfs/dbraw/zinc/71/54/34/643715434.db2.gz XONVDDWEQWMIHF-ZBEGNZNMSA-N 0 1 279.343 2.696 20 30 CFEDMN CCC(CC)CN(CCC#N)C[C@H](O)CC1(O)CCCC1 ZINC000878159516 643767757 /nfs/dbraw/zinc/76/77/57/643767757.db2.gz MZPKWHUBRCMVPP-MRXNPFEDSA-N 0 1 296.455 2.694 20 30 CFEDMN C=CC[C@H](C)[N@H+](C)CC(=O)Nc1cc(OC)cc(OC)c1 ZINC000878265610 643813875 /nfs/dbraw/zinc/81/38/75/643813875.db2.gz RBSZQHPDACMVPY-LBPRGKRZSA-N 0 1 292.379 2.539 20 30 CFEDMN C=CC[C@H](C)N(C)CC(=O)Nc1cc(OC)cc(OC)c1 ZINC000878265610 643813879 /nfs/dbraw/zinc/81/38/79/643813879.db2.gz RBSZQHPDACMVPY-LBPRGKRZSA-N 0 1 292.379 2.539 20 30 CFEDMN C[C@@H](C#N)C[N@@H+](CCCOC(F)(F)F)C1CC1 ZINC000878299774 643828248 /nfs/dbraw/zinc/82/82/48/643828248.db2.gz XZRZESQMRMIVDJ-VIFPVBQESA-N 0 1 250.264 2.537 20 30 CFEDMN C[C@@H](C#N)CN(CCCOC(F)(F)F)C1CC1 ZINC000878299774 643828254 /nfs/dbraw/zinc/82/82/54/643828254.db2.gz XZRZESQMRMIVDJ-VIFPVBQESA-N 0 1 250.264 2.537 20 30 CFEDMN C[C@H](C#N)C[N@@H+](CCCOC(F)(F)F)C1CC1 ZINC000878299773 643828477 /nfs/dbraw/zinc/82/84/77/643828477.db2.gz XZRZESQMRMIVDJ-SECBINFHSA-N 0 1 250.264 2.537 20 30 CFEDMN C[C@H](C#N)CN(CCCOC(F)(F)F)C1CC1 ZINC000878299773 643828480 /nfs/dbraw/zinc/82/84/80/643828480.db2.gz XZRZESQMRMIVDJ-SECBINFHSA-N 0 1 250.264 2.537 20 30 CFEDMN CC(C)c1cc(C(=O)Nc2cc(C#N)ccc2O)no1 ZINC000127064190 643856318 /nfs/dbraw/zinc/85/63/18/643856318.db2.gz OFISPVKNNFAAKU-UHFFFAOYSA-N 0 1 271.276 2.628 20 30 CFEDMN C=CCCC[C@@H](C(=O)NCc1nnc[nH]1)c1ccccc1 ZINC000878357214 643857231 /nfs/dbraw/zinc/85/72/31/643857231.db2.gz GELLNQFDYBBENC-CQSZACIVSA-N 0 1 284.363 2.561 20 30 CFEDMN C[C@@H]1CCC[C@@H](C(=O)C(C#N)C(=O)NC2CCCC2)C1 ZINC000246532548 650872889 /nfs/dbraw/zinc/87/28/89/650872889.db2.gz IVFRXXHEQJMQKV-BZPMIXESSA-N 0 1 276.380 2.580 20 30 CFEDMN CCCNC(=O)OC[C@H]1CCCCN1CC1(CC#N)CC1 ZINC000878616552 643959508 /nfs/dbraw/zinc/95/95/08/643959508.db2.gz PYARIJXZNOIIFX-CQSZACIVSA-N 0 1 293.411 2.671 20 30 CFEDMN C[C@@H]1CN(CCOC2CCCCCC2)C[C@H](C)N1CC#N ZINC000878774669 644023165 /nfs/dbraw/zinc/02/31/65/644023165.db2.gz VKBOEYVQOFGJPF-IYBDPMFKSA-N 0 1 293.455 2.644 20 30 CFEDMN C=CC(C)(C)CC(=O)N1C[C@H](C)N(CC)C[C@@H]1C ZINC000879346998 644240058 /nfs/dbraw/zinc/24/00/58/644240058.db2.gz NCBOCKYYZFNFQL-STQMWFEESA-N 0 1 252.402 2.530 20 30 CFEDMN N#Cc1cc(F)ccc1C[N@@H+]1CC[C@H](O)[C@@H]2CCCC[C@@H]21 ZINC000879416671 644262633 /nfs/dbraw/zinc/26/26/33/644262633.db2.gz HTWWDOSGAXMEIZ-IKGGRYGDSA-N 0 1 288.366 2.823 20 30 CFEDMN N#Cc1cc(F)ccc1CN1CC[C@H](O)[C@@H]2CCCC[C@@H]21 ZINC000879416671 644262637 /nfs/dbraw/zinc/26/26/37/644262637.db2.gz HTWWDOSGAXMEIZ-IKGGRYGDSA-N 0 1 288.366 2.823 20 30 CFEDMN CCC#C[C@@H](C)N1Cc2cccnc2N2CCC[C@@H]2C1 ZINC000879502582 644293620 /nfs/dbraw/zinc/29/36/20/644293620.db2.gz ZMPNZBJRGWWKLW-GDBMZVCRSA-N 0 1 269.392 2.668 20 30 CFEDMN C=C(Br)CN1CC[C@@H]2CSC[C@H]2C1 ZINC000879559296 644318164 /nfs/dbraw/zinc/31/81/64/644318164.db2.gz REWUGWGCQKXDFO-NXEZZACHSA-N 0 1 262.216 2.580 20 30 CFEDMN N#Cc1cccc(CN2CC[C@@H]3CSC[C@@H]3C2)c1F ZINC000879563045 644322728 /nfs/dbraw/zinc/32/27/28/644322728.db2.gz PUURPRXGILCVCT-KGLIPLIRSA-N 0 1 276.380 2.882 20 30 CFEDMN CC[C@@H]1COCCN1Cc1ccc(N(C)CCC#N)cc1 ZINC000091981545 650912946 /nfs/dbraw/zinc/91/29/46/650912946.db2.gz RERKPIPOQNQKHF-MRXNPFEDSA-N 0 1 287.407 2.647 20 30 CFEDMN C[C@H]1CCc2[nH]ncc2[C@H]1C(=O)NCC(C)(C)CCC#N ZINC000880005658 644496481 /nfs/dbraw/zinc/49/64/81/644496481.db2.gz OXYCEHGABDNAFZ-FZMZJTMJSA-N 0 1 288.395 2.522 20 30 CFEDMN C[C@@H]1CCc2[nH]ncc2[C@@H]1C(=O)NCC(C)(C)CCC#N ZINC000880005656 644496501 /nfs/dbraw/zinc/49/65/01/644496501.db2.gz OXYCEHGABDNAFZ-BXUZGUMPSA-N 0 1 288.395 2.522 20 30 CFEDMN C[C@@H]1CN(CCC(C)(C)C#N)CC[C@@H](C(F)(F)F)O1 ZINC000880063375 644518496 /nfs/dbraw/zinc/51/84/96/644518496.db2.gz ZZYHULBSVKEBRF-MNOVXSKESA-N 0 1 278.318 2.968 20 30 CFEDMN C[C@@H]1CN([C@@H]2CC[C@@H](C#N)C2)CC[C@@H](C(F)(F)F)O1 ZINC000880067018 644520636 /nfs/dbraw/zinc/52/06/36/644520636.db2.gz MRBMUNPDWKYZBB-KKOKHZNYSA-N 0 1 276.302 2.720 20 30 CFEDMN CN(C[C@H]1CN(c2ccccc2)C(=O)O1)CC1(CC#N)CC1 ZINC000880081345 644525115 /nfs/dbraw/zinc/52/51/15/644525115.db2.gz NNVMXBAAQNAKPJ-HNNXBMFYSA-N 0 1 299.374 2.637 20 30 CFEDMN COCC1([N@@H+](C)Cc2cc(C#N)ccc2F)CCC1 ZINC000880186961 644569527 /nfs/dbraw/zinc/56/95/27/644569527.db2.gz BCBJHIHMECHQAF-UHFFFAOYSA-N 0 1 262.328 2.698 20 30 CFEDMN COCC1(N(C)Cc2cc(C#N)ccc2F)CCC1 ZINC000880186961 644569536 /nfs/dbraw/zinc/56/95/36/644569536.db2.gz BCBJHIHMECHQAF-UHFFFAOYSA-N 0 1 262.328 2.698 20 30 CFEDMN FC[C@H]1CCN(CC#Cc2ccc(Cl)cc2)C1 ZINC000880293324 644631537 /nfs/dbraw/zinc/63/15/37/644631537.db2.gz HPWIBQWAXAUZDR-CYBMUJFWSA-N 0 1 251.732 2.983 20 30 CFEDMN C[C@H]1C[C@@H]1C(=O)C(C#N)C(=O)Nc1ccccc1Cl ZINC000128354291 644651185 /nfs/dbraw/zinc/65/11/85/644651185.db2.gz GQGQXJNCADHEHA-LPEHRKFASA-N 0 1 276.723 2.643 20 30 CFEDMN C#C[C@H](NC(=O)[C@@H]1c2cn[nH]c2CC[C@@H]1C)c1ccccc1 ZINC000880402657 644689125 /nfs/dbraw/zinc/68/91/25/644689125.db2.gz BLKTXVQYOWPBRC-NUTKFTJISA-N 0 1 293.370 2.566 20 30 CFEDMN C#CCC1(O)CCN(Cc2cc(OC)ccc2Cl)CC1 ZINC000880483608 644732259 /nfs/dbraw/zinc/73/22/59/644732259.db2.gz GGBGRZFXQDECID-UHFFFAOYSA-N 0 1 293.794 2.699 20 30 CFEDMN N#Cc1c(F)cccc1CN[C@@H]1CCC[C@]12CCCO2 ZINC000880500939 644738214 /nfs/dbraw/zinc/73/82/14/644738214.db2.gz CMLUYQMGBJWGQH-CVEARBPZSA-N 0 1 274.339 2.889 20 30 CFEDMN C=CCCCC(=O)N1CCN(C)[C@@H](C(C)(C)C)C1 ZINC000880614003 644788017 /nfs/dbraw/zinc/78/80/17/644788017.db2.gz OUJWXFRMAWZNSG-CYBMUJFWSA-N 0 1 252.402 2.531 20 30 CFEDMN C=CC(C)(C)CC(=O)N1CCN(C)[C@@H](C(C)(C)C)C1 ZINC000880612849 644788389 /nfs/dbraw/zinc/78/83/89/644788389.db2.gz KKWULVPPARTLLI-CYBMUJFWSA-N 0 1 266.429 2.777 20 30 CFEDMN C=CC(C)(C)CCNC(=O)[C@@H]1c2cn[nH]c2CC[C@@H]1C ZINC000880824605 644843623 /nfs/dbraw/zinc/84/36/23/644843623.db2.gz NHJPBTAGTJHRRE-FZMZJTMJSA-N 0 1 275.396 2.794 20 30 CFEDMN C=CC(C)(C)CCCNC(=O)CN(C)C1CCC1 ZINC000881457606 644979116 /nfs/dbraw/zinc/97/91/16/644979116.db2.gz OEDQIVWCGJDTID-UHFFFAOYSA-N 0 1 252.402 2.579 20 30 CFEDMN CCN1CC[C@H]1CNc1ncc(C#N)c2ccsc21 ZINC000882958843 645529043 /nfs/dbraw/zinc/52/90/43/645529043.db2.gz MHCMPODHPBSJSM-NSHDSACASA-N 0 1 272.377 2.674 20 30 CFEDMN C#CCC1(O)CCN(c2ccnc3cc(F)ccc32)CC1 ZINC000882970630 645534123 /nfs/dbraw/zinc/53/41/23/645534123.db2.gz JKHXHCXJPQSTPA-UHFFFAOYSA-N 0 1 284.334 2.729 20 30 CFEDMN C#CC[C@@H](CO)NCc1ccc(F)c(Cl)c1Cl ZINC000883124479 645614633 /nfs/dbraw/zinc/61/46/33/645614633.db2.gz HYLZSLNEOOFMJG-VIFPVBQESA-N 0 1 276.138 2.606 20 30 CFEDMN C=CCC[C@H](COc1ccccc1)NCc1cc[nH]n1 ZINC000883187423 645648955 /nfs/dbraw/zinc/64/89/55/645648955.db2.gz NRSKPRLCTIIOPX-OAHLLOKOSA-N 0 1 271.364 2.913 20 30 CFEDMN C=CCC[C@@H](NCc1nnc(C(C)C)[nH]1)[C@@H]1CCCO1 ZINC000883225359 645675920 /nfs/dbraw/zinc/67/59/20/645675920.db2.gz FTTQWFVZSOFRBM-OLZOCXBDSA-N 0 1 278.400 2.532 20 30 CFEDMN C=CCC[C@@H](NCc1ccn(CC)n1)[C@@H]1CCCO1 ZINC000883228751 645678427 /nfs/dbraw/zinc/67/84/27/645678427.db2.gz SXUWDCDFAWSELJ-CABCVRRESA-N 0 1 263.385 2.506 20 30 CFEDMN N#C[C@H]1CC[C@@H](NCc2cc(O)ccc2Cl)C1 ZINC000883325573 645740807 /nfs/dbraw/zinc/74/08/07/645740807.db2.gz FLHOJNGIGIAEEV-GXSJLCMTSA-N 0 1 250.729 2.827 20 30 CFEDMN N#C[C@@H]1CC[C@H](NCc2cc(O)ccc2Cl)C1 ZINC000883325574 645740862 /nfs/dbraw/zinc/74/08/62/645740862.db2.gz FLHOJNGIGIAEEV-KOLCDFICSA-N 0 1 250.729 2.827 20 30 CFEDMN C=C(C)C[C@H](CO)NCc1cscc1Br ZINC000883400392 645789318 /nfs/dbraw/zinc/78/93/18/645789318.db2.gz LINNSUKBTLHVLC-SNVBAGLBSA-N 0 1 290.226 2.927 20 30 CFEDMN CC(C)C(N)=NOCCCOc1ccc(F)cc1 ZINC000133685545 646209362 /nfs/dbraw/zinc/20/93/62/646209362.db2.gz QWAGYMZQFXJZJI-UHFFFAOYSA-N 0 1 254.305 2.539 20 30 CFEDMN C=CC[C@@H](C)NC(=O)[C@@H](N)c1ccc(Br)cc1 ZINC000884145342 646236441 /nfs/dbraw/zinc/23/64/41/646236441.db2.gz IDJOTCUDZAXKKS-SKDRFNHKSA-N 0 1 297.196 2.530 20 30 CFEDMN Cc1ccnc(NN=Cc2cccc3c2CCOC3)c1 ZINC000884435177 646357054 /nfs/dbraw/zinc/35/70/54/646357054.db2.gz NCYZTWPLMVXNBS-UHFFFAOYSA-N 0 1 267.332 2.909 20 30 CFEDMN C=C(Cl)CNCc1c[nH]nc1-c1ccc(C)o1 ZINC000134792074 646383374 /nfs/dbraw/zinc/38/33/74/646383374.db2.gz VXJHVACMZYAGQD-UHFFFAOYSA-N 0 1 251.717 2.820 20 30 CFEDMN C#CCN1CCC[C@@H](Nc2ncnc3sc(C)cc32)C1 ZINC000884612429 646486908 /nfs/dbraw/zinc/48/69/08/646486908.db2.gz LKHIZZXTOVDKSN-GFCCVEGCSA-N 0 1 286.404 2.509 20 30 CFEDMN CSCc1n[nH]c(CNc2cc(Cl)ccc2C#N)n1 ZINC000884694946 646530465 /nfs/dbraw/zinc/53/04/65/646530465.db2.gz CKGVTISQJJVWNU-UHFFFAOYSA-N 0 1 293.783 2.805 20 30 CFEDMN CSCc1nnc(CNc2cc(Cl)ccc2C#N)[nH]1 ZINC000884694946 646530467 /nfs/dbraw/zinc/53/04/67/646530467.db2.gz CKGVTISQJJVWNU-UHFFFAOYSA-N 0 1 293.783 2.805 20 30 CFEDMN Cc1nc(C2CCN(c3cccnc3C#N)CC2)[nH]c1C ZINC000884706705 646535173 /nfs/dbraw/zinc/53/51/73/646535173.db2.gz LPXDCYPVRCUXMF-UHFFFAOYSA-N 0 1 281.363 2.677 20 30 CFEDMN Cc1nc(C2CCN(c3ccc(C)nc3C#N)CC2)[nH]c1C ZINC000884705909 646535470 /nfs/dbraw/zinc/53/54/70/646535470.db2.gz LRCWFPVKAUXCEZ-UHFFFAOYSA-N 0 1 295.390 2.986 20 30 CFEDMN C=C(Br)COC(=O)[C@H]1c2cn[nH]c2CC[C@@H]1C ZINC000885263311 646647867 /nfs/dbraw/zinc/64/78/67/646647867.db2.gz SCYVPOPZTDCJHG-WRWORJQWSA-N 0 1 299.168 2.527 20 30 CFEDMN C=CCCCCOC(=O)[C@H]1c2cn[nH]c2CC[C@H]1C ZINC000885259408 646650157 /nfs/dbraw/zinc/65/01/57/646650157.db2.gz LVQNOFRSQRDZTP-BXUZGUMPSA-N 0 1 262.353 2.975 20 30 CFEDMN C[C@@H]1CCc2[nH]ncc2[C@@H]1C(=O)OCc1ccc(C#N)cc1 ZINC000885261585 646651360 /nfs/dbraw/zinc/65/13/60/646651360.db2.gz XANFPQOWAYETCT-BDJLRTHQSA-N 0 1 295.342 2.691 20 30 CFEDMN C=CCn1ncc2ccc(NC(=O)CN(CC)CC)cc21 ZINC000885573664 646710028 /nfs/dbraw/zinc/71/00/28/646710028.db2.gz NRKCTLZCUKGRHE-UHFFFAOYSA-N 0 1 286.379 2.503 20 30 CFEDMN C#Cc1ccc(NC(=O)CN(C)C(C)C)c(Cl)c1 ZINC000885673142 646734484 /nfs/dbraw/zinc/73/44/84/646734484.db2.gz BWGAXAJMQVGLMK-UHFFFAOYSA-N 0 1 264.756 2.600 20 30 CFEDMN N#CC1(C[C@H](O)CN2CCc3ccc(F)cc3C2)CCC1 ZINC000886076341 646857154 /nfs/dbraw/zinc/85/71/54/646857154.db2.gz NCCFNMCZXYICIX-INIZCTEOSA-N 0 1 288.366 2.629 20 30 CFEDMN CCOc1ccc(C#N)cc1NCc1n[nH]c(C)c1C ZINC000886140200 646890768 /nfs/dbraw/zinc/89/07/68/646890768.db2.gz BRZMYTOGIUANQQ-UHFFFAOYSA-N 0 1 270.336 2.909 20 30 CFEDMN CC1(C)CN(C[C@@H](O)CC2(C#N)CCC2)[C@@H]1c1ccncc1 ZINC000886288511 646955069 /nfs/dbraw/zinc/95/50/69/646955069.db2.gz AVMBYZWSLDWDPZ-JKSUJKDBSA-N 0 1 299.418 2.909 20 30 CFEDMN C[C@@H]1CC(F)(F)CC[N@H+]1C[C@@H](O)CC1(C#N)CCC1 ZINC000886300751 646958848 /nfs/dbraw/zinc/95/88/48/646958848.db2.gz OVJBKIUNQXWRQN-NEPJUHHUSA-N 0 1 272.339 2.551 20 30 CFEDMN N#CC1(C[C@@H](O)CN[C@@H](CF)c2ccc(F)cc2)CCC1 ZINC000886310510 646963007 /nfs/dbraw/zinc/96/30/07/646963007.db2.gz MQZLZBUXQIYXHE-CABCVRRESA-N 0 1 294.345 2.871 20 30 CFEDMN FC(F)(F)Oc1ccc(C#CCN2C[C@@H]3C[C@@H]3C2)cc1 ZINC000886344968 646980107 /nfs/dbraw/zinc/98/01/07/646980107.db2.gz OYGIILZFCOJITN-BETUJISGSA-N 0 1 281.277 2.888 20 30 CFEDMN C#CC[C@@H]1CC[N@H+](CC(=O)N(C)[C@@H](C)c2ccccc2)C1 ZINC000886353290 646982855 /nfs/dbraw/zinc/98/28/55/646982855.db2.gz GBPCIOWRUQPSNH-JKSUJKDBSA-N 0 1 284.403 2.551 20 30 CFEDMN C#CC[C@@H]1CC[N@H+](CC(=O)N2CCC[C@@H]3CCCC[C@@H]32)C1 ZINC000886354154 646983247 /nfs/dbraw/zinc/98/32/47/646983247.db2.gz XIYYMRDLDXLVDZ-IKGGRYGDSA-N 0 1 288.435 2.513 20 30 CFEDMN C#CC[C@H]1CCN([C@H](C)C(=O)Nc2ccc(F)c(F)c2)C1 ZINC000886355860 646984634 /nfs/dbraw/zinc/98/46/34/646984634.db2.gz OUGVNCMJNIKGSA-NEPJUHHUSA-N 0 1 292.329 2.637 20 30 CFEDMN C=CCn1cc2ccc(NC(=O)[C@H](CC)N(C)C)cc2n1 ZINC000886647284 647086169 /nfs/dbraw/zinc/08/61/69/647086169.db2.gz KALLJTXMPJTZFH-HNNXBMFYSA-N 0 1 286.379 2.501 20 30 CFEDMN N#CCCN1CCCC[C@H]1CC1(O)CCCCC1 ZINC000887037030 647194679 /nfs/dbraw/zinc/19/46/79/647194679.db2.gz SIQUPQPYEBIHEC-AWEZNQCLSA-N 0 1 250.386 2.840 20 30 CFEDMN CC(C)[C@H]1CCC2=NN(c3ccc(C#N)cn3)C(=O)[C@H]2C1 ZINC000887295201 647262893 /nfs/dbraw/zinc/26/28/93/647262893.db2.gz ZRWBYSDDVWBTOX-STQMWFEESA-N 0 1 282.347 2.728 20 30 CFEDMN CC[C@@H]([NH2+]C[C@@H](C)CN(C)C)c1cccc(C#N)c1[O-] ZINC000926473735 648500994 /nfs/dbraw/zinc/50/09/94/648500994.db2.gz NISTZGHYCRKQMP-IUODEOHRSA-N 0 1 275.396 2.502 20 30 CFEDMN C=C1CCC(C(=O)NCc2cc(N(C)C)ccn2)CC1 ZINC000927709769 648821500 /nfs/dbraw/zinc/82/15/00/648821500.db2.gz IGGFAEWUMVHDHL-UHFFFAOYSA-N 0 1 273.380 2.510 20 30 CFEDMN C=CCC[C@H](C(=O)NC[C@@H]1CCN1C)c1ccccc1 ZINC000928556526 648924579 /nfs/dbraw/zinc/92/45/79/648924579.db2.gz AORQXHYJSCHOOW-HOTGVXAUSA-N 0 1 272.392 2.557 20 30 CFEDMN C#CCN1CCC(NC(=O)[C@H](CC)CC2CCCC2)CC1 ZINC000928654886 648939037 /nfs/dbraw/zinc/93/90/37/648939037.db2.gz GXEZNQPLNIFINT-MRXNPFEDSA-N 0 1 290.451 2.807 20 30 CFEDMN C#CCN1CCC(NC(=O)c2csc3ccccc23)CC1 ZINC000928658980 648939744 /nfs/dbraw/zinc/93/97/44/648939744.db2.gz AKZCZXIMSPTYSP-UHFFFAOYSA-N 0 1 298.411 2.729 20 30 CFEDMN N#Cc1ccc(C(=O)Nc2cnn(C3CCCC3)c2)cc1O ZINC000928794170 648956309 /nfs/dbraw/zinc/95/63/09/648956309.db2.gz RYROUGQAEZNEGA-UHFFFAOYSA-N 0 1 296.330 2.828 20 30 CFEDMN C=CCN(Cc1cccs1)C[C@@H]1C[C@@H]2COC[C@H]2O1 ZINC000929140167 648988349 /nfs/dbraw/zinc/98/83/49/648988349.db2.gz HYTBZPKLMYKQEO-VNHYZAJKSA-N 0 1 279.405 2.540 20 30 CFEDMN N#CC[C@@H](O)CN1CCC[C@@H]1c1ccc(Cl)cc1 ZINC000929170669 648994077 /nfs/dbraw/zinc/99/40/77/648994077.db2.gz CFTQYKKHKCZHMZ-ZIAGYGMSSA-N 0 1 264.756 2.751 20 30 CFEDMN N#Cc1cc(Cl)cc(CN2CCC[C@@H](CCO)C2)c1 ZINC000929528149 649066460 /nfs/dbraw/zinc/06/64/60/649066460.db2.gz KOGIHBUITANOQF-LBPRGKRZSA-N 0 1 278.783 2.806 20 30 CFEDMN CC(C)CN(CCC#N)CCOC1CCSCC1 ZINC000929687423 649096805 /nfs/dbraw/zinc/09/68/05/649096805.db2.gz FJCMUDDGTUNWDO-UHFFFAOYSA-N 0 1 270.442 2.770 20 30 CFEDMN Cc1ccc([C@H]2C[C@@H](C)CCN2C[C@H](O)CC#N)o1 ZINC000929760643 649115046 /nfs/dbraw/zinc/11/50/46/649115046.db2.gz VDRJBLRRARVPLU-IACUBPJLSA-N 0 1 262.353 2.636 20 30 CFEDMN N#Cc1cncc(CN2CCC[C@H]2c2ccc(O)cc2)c1 ZINC000929894894 649146054 /nfs/dbraw/zinc/14/60/54/649146054.db2.gz YUSBWKUROIUGRD-KRWDZBQOSA-N 0 1 279.343 2.996 20 30 CFEDMN Cc1cc(C#N)cc(C)c1CN(C)Cc1cn[nH]c1 ZINC000930013277 649166241 /nfs/dbraw/zinc/16/62/41/649166241.db2.gz HSCIVNNLWXZLCE-UHFFFAOYSA-N 0 1 254.337 2.530 20 30 CFEDMN CCc1ccc(C2=CCN(C[C@H](O)CC#N)CC2)cc1 ZINC000930174665 649198752 /nfs/dbraw/zinc/19/87/52/649198752.db2.gz NCOPLKRZCBCADS-QGZVFWFLSA-N 0 1 270.376 2.613 20 30 CFEDMN C#CC[C@H](NCc1cc(C)nnc1C)c1ccccc1 ZINC000930222386 649209382 /nfs/dbraw/zinc/20/93/82/649209382.db2.gz XJNGKRBWQFIHPY-KRWDZBQOSA-N 0 1 265.360 2.948 20 30 CFEDMN CC(C)(C)[C@H](NC[C@H](O)CC#N)c1ccc(F)cc1F ZINC000930233800 649210999 /nfs/dbraw/zinc/21/09/99/649210999.db2.gz UIGDFFIUOJLTQS-BXUZGUMPSA-N 0 1 282.334 2.916 20 30 CFEDMN N#Cc1cncc(CN2CCC[C@H](c3ccncc3)C2)c1 ZINC000930477949 649256692 /nfs/dbraw/zinc/25/66/92/649256692.db2.gz NWJNTZSBAYKYDV-KRWDZBQOSA-N 0 1 278.359 2.728 20 30 CFEDMN CC#CCN(C)Cc1cnc(N(C)C)c2ccccc12 ZINC000930589063 649281365 /nfs/dbraw/zinc/28/13/65/649281365.db2.gz KHJVXQHKQJPQBX-UHFFFAOYSA-N 0 1 267.376 2.756 20 30 CFEDMN Cc1nc(C)c(CN2CCC(c3ccc(C#N)cn3)CC2)[nH]1 ZINC000931112836 649381186 /nfs/dbraw/zinc/38/11/86/649381186.db2.gz KCZDQGIXRFNVEX-UHFFFAOYSA-N 0 1 295.390 2.673 20 30 CFEDMN C=CCN(CC(F)(F)F)C(=O)c1cc(F)cc(F)c1O ZINC000931111783 649381622 /nfs/dbraw/zinc/38/16/22/649381622.db2.gz SUSOUVOHSJPBFH-UHFFFAOYSA-N 0 1 295.207 2.861 20 30 CFEDMN N#CC1(CCCCN2CCO[C@H](CCF)C2)CCC1 ZINC000931260693 649398547 /nfs/dbraw/zinc/39/85/47/649398547.db2.gz YPYAJPDBCJIAMR-CQSZACIVSA-N 0 1 268.376 2.911 20 30 CFEDMN CC[C@@](C)(C#N)NC(=O)c1ccc(CN2CCCCC2)o1 ZINC000931299276 649403571 /nfs/dbraw/zinc/40/35/71/649403571.db2.gz CBAMAGJTHAKTEI-INIZCTEOSA-N 0 1 289.379 2.688 20 30 CFEDMN N#Cc1cc(Cl)cc(CN2CC[C@@H]3CC[C@@H](O)[C@@H]32)c1 ZINC000931336507 649411323 /nfs/dbraw/zinc/41/13/23/649411323.db2.gz UYBQXGDLMMXKKN-NWANDNLSSA-N 0 1 276.767 2.557 20 30 CFEDMN C=C[C@H](CC)CC(=O)Nc1cnn(-c2ccncc2)c1 ZINC000931647216 649466682 /nfs/dbraw/zinc/46/66/82/649466682.db2.gz USLGEENDNVIZNT-GFCCVEGCSA-N 0 1 270.336 2.808 20 30 CFEDMN CC[C@H](C)N1CCN(C(=O)Nc2sccc2C#N)CC1 ZINC000931836368 649498184 /nfs/dbraw/zinc/49/81/84/649498184.db2.gz XUYAFPWGISWRRW-NSHDSACASA-N 0 1 292.408 2.568 20 30 CFEDMN N#Cc1ccsc1NC(=O)N[C@@H]1CCCc2cn[nH]c21 ZINC000931842712 649499560 /nfs/dbraw/zinc/49/95/60/649499560.db2.gz MCQBYACDAGJUBG-SNVBAGLBSA-N 0 1 287.348 2.542 20 30 CFEDMN CC(C)(C)OC(=O)N[C@H]1CN(CCCC#N)CC1(C)C ZINC000931989450 649521638 /nfs/dbraw/zinc/52/16/38/649521638.db2.gz ILIMAAAQHGWORH-LBPRGKRZSA-N 0 1 281.400 2.525 20 30 CFEDMN Cn1ccc([C@H]2CCCN(Cc3ccc(C#N)cc3F)C2)n1 ZINC000932139745 649548677 /nfs/dbraw/zinc/54/86/77/649548677.db2.gz RPGKJVHPCFTNKM-HNNXBMFYSA-N 0 1 298.365 2.810 20 30 CFEDMN C=CC1(CC(=O)NC2(C#N)CCN(C)CC2)CCCCC1 ZINC000932178125 649559926 /nfs/dbraw/zinc/55/99/26/649559926.db2.gz IBCZWZYHUWSJRP-UHFFFAOYSA-N 0 1 289.423 2.617 20 30 CFEDMN C=CCN(CC=C)C(=O)[C@@H](C)N[C@@H](c1ccccn1)C1CC1 ZINC000932377200 649587713 /nfs/dbraw/zinc/58/77/13/649587713.db2.gz DNLKTYLLMHNMDW-RHSMWYFYSA-N 0 1 299.418 2.711 20 30 CFEDMN C#CC[N@@H+](C[C@@H](O)c1c(F)cccc1F)C(C)(C)C ZINC000932462564 649605140 /nfs/dbraw/zinc/60/51/40/649605140.db2.gz BEESXUQIBOINQJ-CYBMUJFWSA-N 0 1 267.319 2.732 20 30 CFEDMN C#CCN(C[C@@H](O)c1c(F)cccc1F)C(C)(C)C ZINC000932462564 649605141 /nfs/dbraw/zinc/60/51/41/649605141.db2.gz BEESXUQIBOINQJ-CYBMUJFWSA-N 0 1 267.319 2.732 20 30 CFEDMN C#CC[N@@H+](Cc1cc(=O)oc2cc(O)ccc12)C(C)(C)C ZINC000932464514 649605220 /nfs/dbraw/zinc/60/52/20/649605220.db2.gz HLMUVNCSVQBRHA-UHFFFAOYSA-N 0 1 285.343 2.732 20 30 CFEDMN C#CC[N@H+](Cc1cc(=O)oc2cc([O-])ccc12)C(C)(C)C ZINC000932464514 649605222 /nfs/dbraw/zinc/60/52/22/649605222.db2.gz HLMUVNCSVQBRHA-UHFFFAOYSA-N 0 1 285.343 2.732 20 30 CFEDMN C#CC[N@@H+](Cc1cc(=O)oc2cc([O-])ccc12)C(C)(C)C ZINC000932464514 649605223 /nfs/dbraw/zinc/60/52/23/649605223.db2.gz HLMUVNCSVQBRHA-UHFFFAOYSA-N 0 1 285.343 2.732 20 30 CFEDMN N#Cc1cnccc1CN1CCC[C@H](C2CCOCC2)C1 ZINC000933089526 649671472 /nfs/dbraw/zinc/67/14/72/649671472.db2.gz RYQQCJWXKPZEQC-HNNXBMFYSA-N 0 1 285.391 2.592 20 30 CFEDMN CC[C@@H]1C(=O)NCCCN1Cc1ccc(C(C)(C)C#N)cc1 ZINC000933219027 649680269 /nfs/dbraw/zinc/68/02/69/649680269.db2.gz WQFFDTOSXDLGEI-MRXNPFEDSA-N 0 1 299.418 2.588 20 30 CFEDMN COC(=O)/C(C)=C/CN1CCC(c2ccc(C#N)cc2)CC1 ZINC000933613216 649706550 /nfs/dbraw/zinc/70/65/50/649706550.db2.gz SMPHMXKPUOOQTM-VGOFMYFVSA-N 0 1 298.386 2.857 20 30 CFEDMN C[C@@H]1C[C@H]1CN1CCO[C@@H](c2ccc(C#N)cc2)C1 ZINC000933632275 649709210 /nfs/dbraw/zinc/70/92/10/649709210.db2.gz QECWCRYJHGWENU-UHOFOFEASA-N 0 1 256.349 2.588 20 30 CFEDMN C=CCCn1cc(CN2C[C@H]3[C@H]4CC[C@H](C4)[C@@]3(C)C2)nn1 ZINC000933705725 649716244 /nfs/dbraw/zinc/71/62/44/649716244.db2.gz MGHDRYCEOUFXRO-HDEZJCGLSA-N 0 1 286.423 2.722 20 30 CFEDMN N#CCCCN1CC[C@@H](c2nccc(C(F)(F)F)n2)C1 ZINC000933716141 649716980 /nfs/dbraw/zinc/71/69/80/649716980.db2.gz PHBLBNAOLZOKAZ-SNVBAGLBSA-N 0 1 284.285 2.588 20 30 CFEDMN C=C(CC)C[N@H+]1CCCSC[C@@H]1c1cnn(C)c1 ZINC000933976187 649737962 /nfs/dbraw/zinc/73/79/62/649737962.db2.gz NFTNMPYKCKIMSB-CQSZACIVSA-N 0 1 265.426 2.866 20 30 CFEDMN CO[C@H]1CC[C@H]1N(C)CC#Cc1cccc(Cl)c1 ZINC000934104963 649749675 /nfs/dbraw/zinc/74/96/75/649749675.db2.gz LTWCRFHCXJOVAV-CABCVRRESA-N 0 1 263.768 2.801 20 30 CFEDMN C=CC[C@H]1CCN1[C@@H](C)C(=O)N(CCC#N)c1ccccc1 ZINC000934463902 649788826 /nfs/dbraw/zinc/78/88/26/649788826.db2.gz DIUNMKSXDHAGPD-HOTGVXAUSA-N 0 1 297.402 2.972 20 30 CFEDMN C=CC[C@@H]1CCN1CC(=O)NCCc1ccc(Cl)cc1 ZINC000934472839 649791542 /nfs/dbraw/zinc/79/15/42/649791542.db2.gz UEVHIQGTLLPKMI-OAHLLOKOSA-N 0 1 292.810 2.649 20 30 CFEDMN C=CCCCN(CC)Cc1nccc(OC)c1OC ZINC000934645607 649811584 /nfs/dbraw/zinc/81/15/84/649811584.db2.gz VMKXKWYBHJGDEU-UHFFFAOYSA-N 0 1 264.369 2.887 20 30 CFEDMN N#CCC[C@H](C#N)C[N@H+]1CCCC[C@@H]([C@@H]2CCOC2)C1 ZINC000934842642 649841359 /nfs/dbraw/zinc/84/13/59/649841359.db2.gz NMYCWUXMTYXREQ-BZUAXINKSA-N 0 1 275.396 2.569 20 30 CFEDMN C=C(C)CN1CCC[C@H](NC(=O)C(F)=C2CCCC2)C1 ZINC001007087661 651132050 /nfs/dbraw/zinc/13/20/50/651132050.db2.gz WAAMODRXKWTVJO-AWEZNQCLSA-N 0 1 280.387 2.941 20 30 CFEDMN C=C(C)CN1CCC[C@H](NC(=O)c2cccc(F)c2C)C1 ZINC001007388206 651134016 /nfs/dbraw/zinc/13/40/16/651134016.db2.gz SCGCRZXSTQPLLK-AWEZNQCLSA-N 0 1 290.382 2.904 20 30 CFEDMN C=C(C)CN1CCC[C@@H](NC(=O)[C@]2(C)CC=CCC2)C1 ZINC001007408844 651134495 /nfs/dbraw/zinc/13/44/95/651134495.db2.gz AXNSIQQGPMJBDR-NVXWUHKLSA-N 0 1 276.424 2.890 20 30 CFEDMN C=CCC[N@@H+]1CCC[C@@H](NC(=O)c2cc(F)ccc2F)C1 ZINC001007502041 651135765 /nfs/dbraw/zinc/13/57/65/651135765.db2.gz FQWSSDSWKXDMOT-CYBMUJFWSA-N 0 1 294.345 2.735 20 30 CFEDMN C=CCN1CCC[C@@H](NC(=O)c2cc(C)sc2C)C1 ZINC001007827409 651139098 /nfs/dbraw/zinc/13/90/98/651139098.db2.gz VDZQJTBVODKNMI-CYBMUJFWSA-N 0 1 278.421 2.745 20 30 CFEDMN C=CCN1CCC[C@H](NC(=O)c2cc(C)n(CC)c2C)C1 ZINC001007829507 651139546 /nfs/dbraw/zinc/13/95/46/651139546.db2.gz BLVDDWOXCAIYQL-HNNXBMFYSA-N 0 1 289.423 2.505 20 30 CFEDMN C=CCN1CCC[C@H](NC(=O)c2c(C)oc(C)c2C)C1 ZINC001007847926 651139993 /nfs/dbraw/zinc/13/99/93/651139993.db2.gz XZTRBZYVYSRKDB-AWEZNQCLSA-N 0 1 276.380 2.585 20 30 CFEDMN C=CCN1CCC[C@H](NC(=O)c2ccnc3ccccc32)C1 ZINC001007846692 651140135 /nfs/dbraw/zinc/14/01/35/651140135.db2.gz WGKMOXPFHIFODJ-AWEZNQCLSA-N 0 1 295.386 2.615 20 30 CFEDMN C=C(C)CN1CCC[C@@H](NC(=O)c2cc3ncccc3o2)C1 ZINC001007966456 651140791 /nfs/dbraw/zinc/14/07/91/651140791.db2.gz FWHBPDIOOFMBQG-CYBMUJFWSA-N 0 1 299.374 2.598 20 30 CFEDMN C=CCN1CCC[C@H](NC(=O)Cc2cc(C)ccc2C)C1 ZINC001008397613 651147705 /nfs/dbraw/zinc/14/77/05/651147705.db2.gz CZPFTNMNANWUJN-KRWDZBQOSA-N 0 1 286.419 2.613 20 30 CFEDMN C=CCN1CCC[C@@H](NC(=O)c2cccc3cc[nH]c32)C1 ZINC001008607409 651150607 /nfs/dbraw/zinc/15/06/07/651150607.db2.gz BEDITQLSWFZUIC-CQSZACIVSA-N 0 1 283.375 2.548 20 30 CFEDMN C=CCN1CCC[C@H](NC(=O)[C@H](C)c2ccccc2F)C1 ZINC001008907353 651154307 /nfs/dbraw/zinc/15/43/07/651154307.db2.gz CKBPVKGCODEBMT-KGLIPLIRSA-N 0 1 290.382 2.696 20 30 CFEDMN C=CCN1CCC[C@H](NC(=O)[C@H](C)c2cc(C)oc2C)C1 ZINC001008891685 651154528 /nfs/dbraw/zinc/15/45/28/651154528.db2.gz HOVQEXGBXYDIPM-HIFRSBDPSA-N 0 1 290.407 2.767 20 30 CFEDMN C=CCN1CCC[C@@H](NC(=O)c2cc3sccc3[nH]2)C1 ZINC001009085215 651156114 /nfs/dbraw/zinc/15/61/14/651156114.db2.gz BNBQGNQEWQSFHX-LLVKDONJSA-N 0 1 289.404 2.610 20 30 CFEDMN C=C(C)CN1CCC[C@@H](NC(=O)c2ncoc2C(C)C)C1 ZINC001009117966 651156122 /nfs/dbraw/zinc/15/61/22/651156122.db2.gz SCXNRNZTZZOEKB-CYBMUJFWSA-N 0 1 291.395 2.568 20 30 CFEDMN C=CCN1CCC[C@H](NC(=O)c2ccc3ccncc3c2)C1 ZINC001009101062 651156248 /nfs/dbraw/zinc/15/62/48/651156248.db2.gz CPJIAAGYZOXWDI-KRWDZBQOSA-N 0 1 295.386 2.615 20 30 CFEDMN C=CCN1CCC[C@@H](NC(=O)[C@@H](C)c2ccc(C)s2)C1 ZINC001009203370 651157182 /nfs/dbraw/zinc/15/71/82/651157182.db2.gz MNFNGMGYZPIBDL-UONOGXRCSA-N 0 1 292.448 2.927 20 30 CFEDMN C=CCN1CCC[C@H](NC(=O)[C@H]2CC[C@H](CC)CC2)C1 ZINC001009279998 651157778 /nfs/dbraw/zinc/15/77/78/651157778.db2.gz DCILWDIUMWZTOA-JYJNAYRXSA-N 0 1 278.440 2.969 20 30 CFEDMN C#CCCN1CCC[C@H](NC(=O)c2ccccc2Cl)C1 ZINC001009307709 651158869 /nfs/dbraw/zinc/15/88/69/651158869.db2.gz GAQKHHNVZYIAJT-ZDUSSCGKSA-N 0 1 290.794 2.558 20 30 CFEDMN C=C(C)CN1CCC[C@H](NC(=O)c2cc3ccccc3[nH]2)C1 ZINC001009450671 651160660 /nfs/dbraw/zinc/16/06/60/651160660.db2.gz WWSJARONJYBZRY-HNNXBMFYSA-N 0 1 297.402 2.938 20 30 CFEDMN C=C(C)CN1CCC[C@H](NC(=O)c2cccn2C(C)C)C1 ZINC001009542412 651161552 /nfs/dbraw/zinc/16/15/52/651161552.db2.gz FDIVIHRFJAVKKM-HNNXBMFYSA-N 0 1 289.423 2.839 20 30 CFEDMN C=CCN1CCC[C@H](NC(=O)c2ccc(C3CC3)cc2)C1 ZINC001009613648 651162539 /nfs/dbraw/zinc/16/25/39/651162539.db2.gz TWOIQIGTNFRIQH-KRWDZBQOSA-N 0 1 284.403 2.944 20 30 CFEDMN C=CCN1CC[C@@H](NC(=O)C2CCc3ccccc3CC2)C1 ZINC001015035063 651195541 /nfs/dbraw/zinc/19/55/41/651195541.db2.gz YMTIQEWPGVJTDC-GOSISDBHSA-N 0 1 298.430 2.558 20 30 CFEDMN C=C(C)CN1CC[C@@H](NC(=O)c2c(F)cc(C)cc2F)C1 ZINC001015207100 651197595 /nfs/dbraw/zinc/19/75/95/651197595.db2.gz HUVZKRMOIVTTGI-GFCCVEGCSA-N 0 1 294.345 2.653 20 30 CFEDMN C=C(C)CN1CC[C@@H](NC(=O)c2cc(F)ccc2C)C1 ZINC001015440078 651201184 /nfs/dbraw/zinc/20/11/84/651201184.db2.gz GBEAFLAFYGSKCM-CQSZACIVSA-N 0 1 276.355 2.514 20 30 CFEDMN C=C(C)CN1CC[C@H](NC(=O)c2cc3ccccc3n2C)C1 ZINC001015626797 651206369 /nfs/dbraw/zinc/20/63/69/651206369.db2.gz DOCVHGJAXONRJN-HNNXBMFYSA-N 0 1 297.402 2.559 20 30 CFEDMN C=CCN1CC[C@H](NC(=O)[C@@H]2C[C@H]2c2ccc(C)c(C)c2)C1 ZINC001015809545 651214971 /nfs/dbraw/zinc/21/49/71/651214971.db2.gz QIVBODPEOVPWIW-OKZBNKHCSA-N 0 1 298.430 2.783 20 30 CFEDMN C=CCN1CC[C@@H](NC(=O)c2ccc(C(F)(F)F)cc2)C1 ZINC001016068768 651223698 /nfs/dbraw/zinc/22/36/98/651223698.db2.gz NLSLWLRSUVGMCZ-CYBMUJFWSA-N 0 1 298.308 2.696 20 30 CFEDMN C=C(C)CN1CC[C@H](NC(=O)c2occ3c2CCCC3)C1 ZINC001016099781 651224251 /nfs/dbraw/zinc/22/42/51/651224251.db2.gz DVDXOEXHLBRHCG-AWEZNQCLSA-N 0 1 288.391 2.539 20 30 CFEDMN C=CCN1CC[C@H](NC(=O)c2cc(C)c(F)cc2Cl)C1 ZINC001016122992 651224692 /nfs/dbraw/zinc/22/46/92/651224692.db2.gz KOYZOOPBLQPAPO-NSHDSACASA-N 0 1 296.773 2.778 20 30 CFEDMN C=C(C)CN1CC[C@H](NC(=O)c2ccc(C(F)F)o2)C1 ZINC001016123545 651224850 /nfs/dbraw/zinc/22/48/50/651224850.db2.gz OHTVQHVIPFYSOT-JTQLQIEISA-N 0 1 284.306 2.597 20 30 CFEDMN C=CCN1CC[C@H](NC(=O)c2ccsc2C(F)F)C1 ZINC001016124636 651224981 /nfs/dbraw/zinc/22/49/81/651224981.db2.gz WZKFRKLNAREKFL-VIFPVBQESA-N 0 1 286.347 2.676 20 30 CFEDMN C=CCN1CC[C@@H](NC(=O)c2ccccc2C2CCC2)C1 ZINC001016132239 651225039 /nfs/dbraw/zinc/22/50/39/651225039.db2.gz FJGQJUADEHHAJF-OAHLLOKOSA-N 0 1 284.403 2.944 20 30 CFEDMN C=CCN1CC[C@@H](NC(=O)c2cc(C)nc3ccccc32)C1 ZINC001016177243 651227094 /nfs/dbraw/zinc/22/70/94/651227094.db2.gz ZXLOPZWRQCOMOR-CQSZACIVSA-N 0 1 295.386 2.533 20 30 CFEDMN C=CCN1CC[C@H](NC(=O)c2cc(C)nc3ccccc32)C1 ZINC001016177238 651227399 /nfs/dbraw/zinc/22/73/99/651227399.db2.gz ZXLOPZWRQCOMOR-AWEZNQCLSA-N 0 1 295.386 2.533 20 30 CFEDMN C=CCN1CC[C@H](NC(=O)C2(c3cc(C)cc(C)c3)CC2)C1 ZINC001016273546 651229568 /nfs/dbraw/zinc/22/95/68/651229568.db2.gz XNAOMPISCWCXLI-KRWDZBQOSA-N 0 1 298.430 2.712 20 30 CFEDMN C=C(C)CN1CC[C@@H](NC(=O)c2sccc2CC)C1 ZINC001016327658 651229985 /nfs/dbraw/zinc/22/99/85/651229985.db2.gz OMRRTPLDFNZESB-CYBMUJFWSA-N 0 1 278.421 2.691 20 30 CFEDMN C=CCN1CC[C@H](NC(=O)[C@@H](C)c2cccc(Cl)c2)C1 ZINC001016309427 651230244 /nfs/dbraw/zinc/23/02/44/651230244.db2.gz VARAEGFNVYTTLS-WFASDCNBSA-N 0 1 292.810 2.820 20 30 CFEDMN C#CCCN1CC[C@@H](NC(=O)c2ccc(C(C)C)s2)C1 ZINC001016364760 651231164 /nfs/dbraw/zinc/23/11/64/651231164.db2.gz WSKFBFNYJYKPHH-CYBMUJFWSA-N 0 1 290.432 2.699 20 30 CFEDMN CC#CCN1CC[C@H](NC(=O)CC2CCC(C)(C)CC2)C1 ZINC001016434232 651233756 /nfs/dbraw/zinc/23/37/56/651233756.db2.gz UXNGTUITROQEIZ-INIZCTEOSA-N 0 1 290.451 2.807 20 30 CFEDMN C=C(Cl)CN1CCC2(C[C@H]2NC(=O)C2CCC2)CC1 ZINC001016454727 651234241 /nfs/dbraw/zinc/23/42/41/651234241.db2.gz KLOLWRPEGILECW-CYBMUJFWSA-N 0 1 282.815 2.510 20 30 CFEDMN C=C(Cl)CN1CCC2(C[C@H]2NC(=O)C=C2CCC2)CC1 ZINC001016562972 651237286 /nfs/dbraw/zinc/23/72/86/651237286.db2.gz ALEHPKPHVCYMKU-CQSZACIVSA-N 0 1 294.826 2.820 20 30 CFEDMN C=C(Cl)CN1CCC2(C[C@H]2NC(=O)[C@@H]2CC2(C)C)CC1 ZINC001016577741 651238149 /nfs/dbraw/zinc/23/81/49/651238149.db2.gz YUEHIEJDRGRUIY-QWHCGFSZSA-N 0 1 296.842 2.756 20 30 CFEDMN C=C(Cl)CN1CCC2(C[C@H]2NC(=O)C2(C)CC2)CC1 ZINC001016634739 651238376 /nfs/dbraw/zinc/23/83/76/651238376.db2.gz VSEGAKBSVGENJL-GFCCVEGCSA-N 0 1 282.815 2.510 20 30 CFEDMN C=C(Cl)CN1CCC2(C[C@@H]2NC(=O)C2(C)CC2)CC1 ZINC001016634740 651238381 /nfs/dbraw/zinc/23/83/81/651238381.db2.gz VSEGAKBSVGENJL-LBPRGKRZSA-N 0 1 282.815 2.510 20 30 CFEDMN C=C(Cl)CN1CCC2(C[C@H]2NC(=O)C(C)(C)C)CC1 ZINC001016941321 651243050 /nfs/dbraw/zinc/24/30/50/651243050.db2.gz WXHOAISLBNLVBH-GFCCVEGCSA-N 0 1 284.831 2.756 20 30 CFEDMN C=C(C)CN1C[C@H]2CC[C@@H](C1)N2C(=O)C[C@@H]1CC[C@@H]2C[C@@H]21 ZINC001017683977 651256155 /nfs/dbraw/zinc/25/61/55/651256155.db2.gz LIDLINJMZCGLDR-ALYAQQCSSA-N 0 1 288.435 2.674 20 30 CFEDMN C=C(C)CCN1C[C@H]2CC[C@@H](C1)N2C(=O)c1cc(C)co1 ZINC001017831123 651259061 /nfs/dbraw/zinc/25/90/61/651259061.db2.gz NZAMXTDWJHDKNV-GASCZTMLSA-N 0 1 288.391 2.843 20 30 CFEDMN C=CCCN1C[C@H]2CC[C@@H](C1)N2C(=O)C(C)(C)CC ZINC001017872568 651260755 /nfs/dbraw/zinc/26/07/55/651260755.db2.gz PLFMKLDIIFHGOO-OKILXGFUSA-N 0 1 264.413 2.674 20 30 CFEDMN C=CCCN1C[C@H]2CC[C@@H](C1)N2C(=O)[C@](C)(C=C)CC ZINC001017893621 651260953 /nfs/dbraw/zinc/26/09/53/651260953.db2.gz QJDRIAAHYVURFN-HLLBOEOZSA-N 0 1 276.424 2.840 20 30 CFEDMN C=CCCN1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@](C)(C=C)CC ZINC001017893622 651261067 /nfs/dbraw/zinc/26/10/67/651261067.db2.gz QJDRIAAHYVURFN-UXLLHSPISA-N 0 1 276.424 2.840 20 30 CFEDMN C=C(Cl)CN[C@H]1CCN(C(=O)[C@H]2CC23CCCC3)C1 ZINC001019605845 651287886 /nfs/dbraw/zinc/28/78/86/651287886.db2.gz URKROEYQXTTXCL-QWHCGFSZSA-N 0 1 282.815 2.510 20 30 CFEDMN C=C(Cl)CN[C@H]1CCN(C(=O)[C@H](C)c2ccccc2)C1 ZINC001019682121 651288836 /nfs/dbraw/zinc/28/88/36/651288836.db2.gz PUOQVAVZUVYNQE-HIFRSBDPSA-N 0 1 292.810 2.733 20 30 CFEDMN C=C(C)CC[N@@H+]1CC[C@@H]1CN(C)C(=O)[C@@H]1C[C@H]1C1CC1 ZINC001085866739 782189962 /nfs/dbraw/zinc/18/99/62/782189962.db2.gz RBXIJVXEFSLXBB-OWCLPIDISA-N 0 1 276.424 2.531 20 30 CFEDMN Cc1nc(N2C[C@@H](C)N(C)C[C@@H]2C)c(C#N)c(C)c1Cl ZINC001164629732 719156566 /nfs/dbraw/zinc/15/65/66/719156566.db2.gz CVIDWZBOYNDOEM-ZJUUUORDSA-N 0 1 292.814 2.752 20 30 CFEDMN CC(C)CN1CCN(c2ncc(CC#N)cc2Cl)CC1 ZINC001164657574 719339340 /nfs/dbraw/zinc/33/93/40/719339340.db2.gz SHOLKCUWPCIXIG-UHFFFAOYSA-N 0 1 292.814 2.579 20 30 CFEDMN C=C(C)CN1CC[C@H]1CN(C)C(=O)[C@H]1CC12CCCC2 ZINC001085909170 782200873 /nfs/dbraw/zinc/20/08/73/782200873.db2.gz BVGVLRZOFYWLGD-LSDHHAIUSA-N 0 1 276.424 2.676 20 30 CFEDMN C#CCCN1CC[C@@H]1CN(C)C(=O)c1ccccc1Cl ZINC001085939072 782209476 /nfs/dbraw/zinc/20/94/76/782209476.db2.gz XHMIDQOOSBIECZ-CYBMUJFWSA-N 0 1 290.794 2.510 20 30 CFEDMN C=C(C)CN1CC[C@@H]1CN(C)C(=O)c1ccc(C)cc1 ZINC001085940191 782209558 /nfs/dbraw/zinc/20/95/58/782209558.db2.gz ASGAXYOAPRSTSB-MRXNPFEDSA-N 0 1 272.392 2.717 20 30 CFEDMN C=C(C)CN1CC[C@@H]1CN(C)C(=O)c1c(C)cccc1F ZINC001086001559 782236434 /nfs/dbraw/zinc/23/64/34/782236434.db2.gz KDHLGHHTUWUEBD-CQSZACIVSA-N 0 1 290.382 2.857 20 30 CFEDMN C=CCCN1CCO[C@@](C)(CNC(=O)CCCC(C)C)C1 ZINC001108233769 782244392 /nfs/dbraw/zinc/24/43/92/782244392.db2.gz CDOWJGNYOAIMNY-KRWDZBQOSA-N 0 1 296.455 2.596 20 30 CFEDMN N#Cc1cnc(-c2ccc(Cl)c(O)c2)c(C#N)c1 ZINC001243576121 782286257 /nfs/dbraw/zinc/28/62/57/782286257.db2.gz BXVQMYMHDYJFCI-UHFFFAOYSA-N 0 1 255.664 2.851 20 30 CFEDMN C=CCN1CC[C@@H](NC(=O)C2(CC)CCCCC2)C1 ZINC001266361914 770023834 /nfs/dbraw/zinc/02/38/34/770023834.db2.gz UUXWWMDLBHWETF-CQSZACIVSA-N 0 1 264.413 2.723 20 30 CFEDMN C#CCCCC(=O)N[C@H](C)[C@H]1CCCN(CC(=C)Cl)C1 ZINC001266893403 770718909 /nfs/dbraw/zinc/71/89/09/770718909.db2.gz QQFKPRUIHLCZIQ-CABCVRRESA-N 0 1 296.842 2.759 20 30 CFEDMN CC#CC[C@@H](CC)Oc1[nH]c(=O)nc2cccc(OC)c21 ZINC001229239247 776762188 /nfs/dbraw/zinc/76/21/88/776762188.db2.gz LMWUYVBHSZQLEL-LLVKDONJSA-N 0 1 286.331 2.915 20 30 CFEDMN CC#CC[N@@H+]1CC[C@H](N(CC)C(=O)[C@@H]2C[C@H]2C(C)(C)C)C1 ZINC001033896120 780819607 /nfs/dbraw/zinc/81/96/07/780819607.db2.gz YVIGYJVRCKXNLO-ARFHVFGLSA-N 0 1 290.451 2.615 20 30 CFEDMN CC#CCN1CC[C@H](N(CC)C(=O)[C@@H]2C[C@H]2C(C)(C)C)C1 ZINC001033896120 780819614 /nfs/dbraw/zinc/81/96/14/780819614.db2.gz YVIGYJVRCKXNLO-ARFHVFGLSA-N 0 1 290.451 2.615 20 30 CFEDMN C=CCN1CC[C@H](N(CC)C(=O)[C@H]2CC23CCCC3)C1 ZINC001034016329 780854894 /nfs/dbraw/zinc/85/48/94/780854894.db2.gz HTPBVROPOKHTCE-LSDHHAIUSA-N 0 1 276.424 2.676 20 30 CFEDMN C=CCN1CCC[C@H](NC(=O)CC(C2CC2)C2CC2)C1 ZINC001266252290 769829699 /nfs/dbraw/zinc/82/96/99/769829699.db2.gz QTSUXFOOFSXBFU-HNNXBMFYSA-N 0 1 276.424 2.579 20 30 CFEDMN C=CCN1C[C@@H](C)[C@H](NC(=O)C2(CC=C)CCCC2)C1 ZINC001211492876 769877461 /nfs/dbraw/zinc/87/74/61/769877461.db2.gz NUAZKRMKXINKMQ-HUUCEWRRSA-N 0 1 276.424 2.745 20 30 CFEDMN C=CCOC(=O)N1CCN(CCC2CCCC2)CC1 ZINC001208695763 769925097 /nfs/dbraw/zinc/92/50/97/769925097.db2.gz GOQYTRILLMOGAX-UHFFFAOYSA-N 0 1 266.385 2.507 20 30 CFEDMN CC(C)=C(C)CC(=O)NCCN(C)Cc1ccc(C#N)cc1 ZINC001266309275 769948964 /nfs/dbraw/zinc/94/89/64/769948964.db2.gz SGIRDJIVOCSXIN-UHFFFAOYSA-N 0 1 299.418 2.853 20 30 CFEDMN N#Cc1ccc(CNCc2cccc3c2OCC3)s1 ZINC000692980901 769958583 /nfs/dbraw/zinc/95/85/83/769958583.db2.gz SDVRTZMVZMHQPA-UHFFFAOYSA-N 0 1 270.357 2.844 20 30 CFEDMN C=C1CC(C)(C(=O)NC[C@@H](C)N(C)CCC(F)(F)F)C1 ZINC001282456246 769975519 /nfs/dbraw/zinc/97/55/19/769975519.db2.gz YFDOTKHUDPHBHE-LLVKDONJSA-N 0 1 292.345 2.732 20 30 CFEDMN CC#CCN(C)[C@@H](C)CNC(=O)c1cccc(C(F)F)c1 ZINC001282484410 769985585 /nfs/dbraw/zinc/98/55/85/769985585.db2.gz DHBMBJXTBOZYFB-LBPRGKRZSA-N 0 1 294.345 2.698 20 30 CFEDMN C=CCCCCN1CCN(c2nccc(Cl)n2)CC1 ZINC001209204675 770013211 /nfs/dbraw/zinc/01/32/11/770013211.db2.gz HVCMPBBBMAONCR-UHFFFAOYSA-N 0 1 280.803 2.608 20 30 CFEDMN C=CCC[C@H](C(=O)NCCN(C)CC#CC)c1ccccc1 ZINC001266367819 770039551 /nfs/dbraw/zinc/03/95/51/770039551.db2.gz MXKNBSMMYCJSPO-SFHVURJKSA-N 0 1 298.430 2.808 20 30 CFEDMN C=CCCC(=O)NCCN(CC)Cc1ccnc(Cl)c1 ZINC001266380694 770050896 /nfs/dbraw/zinc/05/08/96/770050896.db2.gz OMHCMNHXCCQFBT-UHFFFAOYSA-N 0 1 295.814 2.639 20 30 CFEDMN CC#CCN(CC)CCNC(=O)C1[C@@H]2CCCCCC[C@@H]12 ZINC001266417872 770113591 /nfs/dbraw/zinc/11/35/91/770113591.db2.gz KVMOYMSXUVZVTC-HZPDHXFCSA-N 0 1 290.451 2.664 20 30 CFEDMN Cc1cc(N)ncc1Nc1cc(F)c(F)cc1C#N ZINC001209968599 770178205 /nfs/dbraw/zinc/17/82/05/770178205.db2.gz DSSBTCSZXSSRTP-UHFFFAOYSA-N 0 1 260.247 2.866 20 30 CFEDMN C#CCN1CCC[C@@H]1CNC(=O)CCCCC(C)(C)C ZINC001266464466 770185520 /nfs/dbraw/zinc/18/55/20/770185520.db2.gz AXTSMMLGZOXZMH-OAHLLOKOSA-N 0 1 278.440 2.807 20 30 CFEDMN C#CCN1CCC[C@@H]1CNC(=O)[C@@H](CC)CC1CCCC1 ZINC001266485573 770201937 /nfs/dbraw/zinc/20/19/37/770201937.db2.gz FFOOWMWHNGMCAZ-DLBZAZTESA-N 0 1 290.451 2.807 20 30 CFEDMN C#CCN1CCC[C@@H]1CNC(=O)C/C=C/c1ccc(C)cc1 ZINC001266497175 770210238 /nfs/dbraw/zinc/21/02/38/770210238.db2.gz BTFIKIBRLQVMHG-MJICGBHWSA-N 0 1 296.414 2.612 20 30 CFEDMN COc1cccc(Nc2noc(C(C)(C)C)n2)c1C#N ZINC001210119096 770211204 /nfs/dbraw/zinc/21/12/04/770211204.db2.gz UFHHVSFOZVKJEZ-UHFFFAOYSA-N 0 1 272.308 2.991 20 30 CFEDMN COc1cccc(Nc2ccnn2-c2ccncc2)c1C#N ZINC001210121434 770211881 /nfs/dbraw/zinc/21/18/81/770211881.db2.gz BDKRKWFYHMTWBI-UHFFFAOYSA-N 0 1 291.314 2.891 20 30 CFEDMN COc1cccc(-n2c(N)nc3ccc(C)cc32)c1C#N ZINC001210121173 770212457 /nfs/dbraw/zinc/21/24/57/770212457.db2.gz ALQXHBVEPVNJBW-UHFFFAOYSA-N 0 1 278.315 2.796 20 30 CFEDMN COc1cnccc1Nc1cc(C#N)cn1C(C)(C)C ZINC001211257784 770469478 /nfs/dbraw/zinc/46/94/78/770469478.db2.gz RXCQOEREXXBRBF-UHFFFAOYSA-N 0 1 270.336 2.684 20 30 CFEDMN COc1cnccc1Nc1cc(C#N)c(C)cc1C ZINC001211265292 770472341 /nfs/dbraw/zinc/47/23/41/770472341.db2.gz SQKCSVMYCADFFC-UHFFFAOYSA-N 0 1 253.305 2.744 20 30 CFEDMN CC#CCN1CCCC[C@@H]1CNC(=O)C[C@@H]1CC=CCC1 ZINC001266849897 770672637 /nfs/dbraw/zinc/67/26/37/770672637.db2.gz PGFYOQUIJRKDIX-IAGOWNOFSA-N 0 1 288.435 2.727 20 30 CFEDMN C[C@H](CNC(=O)CCC1(C)CC1)NCC#Cc1ccccc1 ZINC001266984032 770789482 /nfs/dbraw/zinc/78/94/82/770789482.db2.gz QWIBCKXSUOREBW-MRXNPFEDSA-N 0 1 298.430 2.713 20 30 CFEDMN COc1cccc(F)c1CNC#C[Si](C)(C)C ZINC001167607405 770979496 /nfs/dbraw/zinc/97/94/96/770979496.db2.gz YNWAPMRVOZPGQK-UHFFFAOYSA-N 0 1 251.377 2.762 20 30 CFEDMN C=C(C)CCN1CC[C@@H]1CNC(=O)C1(F)CCCCC1 ZINC001276950270 775111652 /nfs/dbraw/zinc/11/16/52/775111652.db2.gz RFIQPTZRUUTBBF-CQSZACIVSA-N 0 1 282.403 2.816 20 30 CFEDMN C=C1O[C@@H](C)C(=O)C1OCCCCCCC(=O)OCC ZINC001224393137 775172402 /nfs/dbraw/zinc/17/24/02/775172402.db2.gz UFMRQOOGHCVTMA-NSHDSACASA-N 0 1 284.352 2.736 20 30 CFEDMN C=C1O[C@@H](CC)C(=O)C1OCCCCCCC(=O)OC ZINC001224500445 775205801 /nfs/dbraw/zinc/20/58/01/775205801.db2.gz QKIMXRLXPREMRC-LBPRGKRZSA-N 0 1 284.352 2.736 20 30 CFEDMN C=C1O[C@H](CC)C(=O)C1OCCCCCCC(=O)OC ZINC001224500444 775206012 /nfs/dbraw/zinc/20/60/12/775206012.db2.gz QKIMXRLXPREMRC-GFCCVEGCSA-N 0 1 284.352 2.736 20 30 CFEDMN C=C1O[C@@H](C)C(=O)C1OCCCCNC(=O)OC(C)(C)C ZINC001224513911 775206626 /nfs/dbraw/zinc/20/66/26/775206626.db2.gz HWTOLLWAEXYLQF-JTQLQIEISA-N 0 1 299.367 2.527 20 30 CFEDMN COc1ccc(CN2CC[C@@H](C)[C@@](C)(O)CC2)c(C#N)c1 ZINC001137697985 775221672 /nfs/dbraw/zinc/22/16/72/775221672.db2.gz FCUSBFQZVHCUHU-DYVFJYSZSA-N 0 1 288.391 2.550 20 30 CFEDMN CCCCCCCO[C@H]1C[C@@H]2CC(=O)C[C@H]1[N@H+]2C ZINC001224617929 775228443 /nfs/dbraw/zinc/22/84/43/775228443.db2.gz YWYFIUROPVNCPG-CFVMTHIKSA-N 0 1 253.386 2.778 20 30 CFEDMN c1ccc2c(c1)OCCC2=NOCCN1CCCCC1 ZINC000588596057 775248027 /nfs/dbraw/zinc/24/80/27/775248027.db2.gz IJUMSDBYEDROQR-UHFFFAOYSA-N 0 1 274.364 2.676 20 30 CFEDMN COc1ccc([C@H](C)NCc2cncc(C#N)c2)cc1 ZINC000721571778 775255086 /nfs/dbraw/zinc/25/50/86/775255086.db2.gz ITJCLUWBDHVOTM-LBPRGKRZSA-N 0 1 267.332 2.813 20 30 CFEDMN C=CCCC(=O)N(C)C[C@H](C)NCc1nc(C)sc1C ZINC001283583901 775314304 /nfs/dbraw/zinc/31/43/04/775314304.db2.gz XJKUASAMCQFSCT-NSHDSACASA-N 0 1 295.452 2.663 20 30 CFEDMN C=C(Cl)CNCCN(C)C(=O)Cc1cc(C)cc(C)c1 ZINC001267422918 775319945 /nfs/dbraw/zinc/31/99/45/775319945.db2.gz TUAIIZFCXQBFKD-UHFFFAOYSA-N 0 1 294.826 2.646 20 30 CFEDMN C=C(Cl)CNCCN(C)C(=O)c1ccc2cc[nH]c2c1 ZINC001267433927 775323184 /nfs/dbraw/zinc/32/31/84/775323184.db2.gz FCYRHSAFFQTCGE-UHFFFAOYSA-N 0 1 291.782 2.582 20 30 CFEDMN C=CCN1CC[C@@H](N(CCC)C(=O)Cc2ccsc2)C1 ZINC001267442939 775326840 /nfs/dbraw/zinc/32/68/40/775326840.db2.gz FXVXBAFVTKWHAX-OAHLLOKOSA-N 0 1 292.448 2.790 20 30 CFEDMN C=CCN1CC[C@@H](N(CCC)C(=O)[C@@H](CC)SC)C1 ZINC001267453323 775330827 /nfs/dbraw/zinc/33/08/27/775330827.db2.gz BREPSEVLTPSGAP-ZIAGYGMSSA-N 0 1 284.469 2.627 20 30 CFEDMN C=C(Cl)CNCCN(C)C(=O)CCc1ccccc1F ZINC001267467750 775366179 /nfs/dbraw/zinc/36/61/79/775366179.db2.gz JTYCBVWUQPGYIO-UHFFFAOYSA-N 0 1 298.789 2.559 20 30 CFEDMN N#Cc1ccc(F)c(N2CC3(CC[N@H+]3C3CCCC3)C2)c1 ZINC001277026619 775372615 /nfs/dbraw/zinc/37/26/15/775372615.db2.gz VRLMIXNHYOUSKP-UHFFFAOYSA-N 0 1 285.366 2.904 20 30 CFEDMN N#Cc1ccc(F)c(N2CC3(CCN3C3CCCC3)C2)c1 ZINC001277026619 775372628 /nfs/dbraw/zinc/37/26/28/775372628.db2.gz VRLMIXNHYOUSKP-UHFFFAOYSA-N 0 1 285.366 2.904 20 30 CFEDMN C=C/C(C)=C/CC(=O)N(CCC)[C@@H]1CCN(CC#CC)C1 ZINC001267475674 775374010 /nfs/dbraw/zinc/37/40/10/775374010.db2.gz PFZHGKWKWRWZCY-JDZKTDJGSA-N 0 1 288.435 2.845 20 30 CFEDMN C=C(Cl)CN1CC[C@H](CCNC(=O)/C(C)=C/C)C1 ZINC001267513394 775406237 /nfs/dbraw/zinc/40/62/37/775406237.db2.gz JDYNUQBKXRTLIR-HQAMWZJRSA-N 0 1 270.804 2.533 20 30 CFEDMN C#CCN[C@H](CNC(=O)[C@H](C)CCC)c1ccccc1 ZINC001267517392 775410738 /nfs/dbraw/zinc/41/07/38/775410738.db2.gz PKIDWACFOITUQW-GDBMZVCRSA-N 0 1 272.392 2.503 20 30 CFEDMN C#CCN1CCCC[C@@H]1CNC(=O)[C@H]1CCCCC1(C)C ZINC001024818546 775429012 /nfs/dbraw/zinc/42/90/12/775429012.db2.gz YJRMHZAMGZVQQJ-HZPDHXFCSA-N 0 1 290.451 2.807 20 30 CFEDMN C#CCN1CCCC[C@H]1CNC(=O)[C@H]1CCCC(C)(C)C1 ZINC001024818724 775429221 /nfs/dbraw/zinc/42/92/21/775429221.db2.gz HISTVQQQZHJKIC-HOTGVXAUSA-N 0 1 290.451 2.807 20 30 CFEDMN C=CCC1(C(=O)N2C[C@H]3CC[C@@H](C2)[N@@H+]3CC)CCCC1 ZINC001267537628 775443712 /nfs/dbraw/zinc/44/37/12/775443712.db2.gz JZUZYKOQZYWUDH-GASCZTMLSA-N 0 1 276.424 2.818 20 30 CFEDMN C=CCC1(C(=O)N2C[C@H]3CC[C@@H](C2)N3CC)CCCC1 ZINC001267537628 775443715 /nfs/dbraw/zinc/44/37/15/775443715.db2.gz JZUZYKOQZYWUDH-GASCZTMLSA-N 0 1 276.424 2.818 20 30 CFEDMN C=C[C@]1(C)CC[C@@H](Oc2[nH]c(=O)ncc2F)C(C)(C)O1 ZINC001225884672 775623384 /nfs/dbraw/zinc/62/33/84/775623384.db2.gz HWWURAODLNFYHK-QMTHXVAHSA-N 0 1 282.315 2.602 20 30 CFEDMN C[C@@H](NCC(C)(C)C#N)c1ccc(OCC#N)cc1 ZINC000122266218 775661477 /nfs/dbraw/zinc/66/14/77/775661477.db2.gz RPOSRTBZLOQIGG-GFCCVEGCSA-N 0 1 257.337 2.789 20 30 CFEDMN C/C=C(\C)C(=O)N[C@H]1CCCN(Cc2cccc(C#N)c2)C1 ZINC001267624178 775709771 /nfs/dbraw/zinc/70/97/71/775709771.db2.gz TTYXCJBSJUJVLW-ZTWVHDNBSA-N 0 1 297.402 2.605 20 30 CFEDMN C#CCC1(C(=O)N[C@H]2CCCN(CC=C)C2)CCCCC1 ZINC001267634473 775720912 /nfs/dbraw/zinc/72/09/12/775720912.db2.gz AIKOFIRUZDDWLK-INIZCTEOSA-N 0 1 288.435 2.727 20 30 CFEDMN N#CCC1CCN(Cc2cccc(C#N)c2F)CC1 ZINC000336495596 775757248 /nfs/dbraw/zinc/75/72/48/775757248.db2.gz IXPATZZNCBFWMR-UHFFFAOYSA-N 0 1 257.312 2.823 20 30 CFEDMN C=CCC[C@H](C)N1CC(NC(=O)CC[C@H](C)CC)C1 ZINC001267662918 775761387 /nfs/dbraw/zinc/76/13/87/775761387.db2.gz DRMXGWIQCFONAU-KGLIPLIRSA-N 0 1 266.429 2.968 20 30 CFEDMN C=CCCCN1CC(NC(=O)C[C@@H](C)CC(C)C)C1 ZINC001267666206 775764439 /nfs/dbraw/zinc/76/44/39/775764439.db2.gz CNLKHXAGFBVMEW-AWEZNQCLSA-N 0 1 266.429 2.825 20 30 CFEDMN C=C[C@H](CC(=O)OC(C)(C)C)Oc1n[nH]c2ncccc21 ZINC001226303327 775774431 /nfs/dbraw/zinc/77/44/31/775774431.db2.gz UFVMAWNQUNMAQB-SNVBAGLBSA-N 0 1 289.335 2.623 20 30 CFEDMN C=CCN1CC[C@H](NC(=O)C[C@H](C=C)c2ccccc2)C1 ZINC001267734489 775829266 /nfs/dbraw/zinc/82/92/66/775829266.db2.gz LAJUGSRPVWHXOU-RDJZCZTQSA-N 0 1 284.403 2.723 20 30 CFEDMN C=CC(C)(C)CC(=O)N(C)[C@@H]1CCN(C[C@H](F)CC)C1 ZINC001267764462 775895157 /nfs/dbraw/zinc/89/51/57/775895157.db2.gz VNYWMYJBMFPPGO-ZIAGYGMSSA-N 0 1 284.419 2.870 20 30 CFEDMN C=CCN1CC[C@@H](N(C)C(=O)C2(CC=C)CCCC2)C1 ZINC001267780114 775924088 /nfs/dbraw/zinc/92/40/88/775924088.db2.gz ZFINDPZJANYABO-OAHLLOKOSA-N 0 1 276.424 2.842 20 30 CFEDMN CC#CCN1CC[C@@H](N(CC)C(=O)CCC2(C)CC2)C1 ZINC001267791059 775934111 /nfs/dbraw/zinc/93/41/11/775934111.db2.gz QXQXVBSBDPZRAQ-OAHLLOKOSA-N 0 1 276.424 2.513 20 30 CFEDMN C=CCC(CC=C)Oc1nc2[nH]cnc2c(=S)[nH]1 ZINC001226780475 775961587 /nfs/dbraw/zinc/96/15/87/775961587.db2.gz LTYYFQYMEOVWMR-UHFFFAOYSA-N 0 1 262.338 2.541 20 30 CFEDMN C=CCCCCCCCN1CCc2cc(C(N)=O)[nH]c2C1 ZINC001277167190 776022611 /nfs/dbraw/zinc/02/26/11/776022611.db2.gz LNUSITWPJJHVHW-UHFFFAOYSA-N 0 1 289.423 2.998 20 30 CFEDMN C#C[C@H]1CCC[C@@H]1Oc1[nH]c(=O)nc2ccccc21 ZINC001226977869 776043717 /nfs/dbraw/zinc/04/37/17/776043717.db2.gz VNUFLXAJGJKRBM-GWCFXTLKSA-N 0 1 254.289 2.516 20 30 CFEDMN C=C1O[C@H](C)C(=O)C1Oc1cnc(Br)c(C)c1 ZINC001226995908 776054225 /nfs/dbraw/zinc/05/42/25/776054225.db2.gz DTANTWDSQYPQJC-SSDOTTSWSA-N 0 1 298.136 2.751 20 30 CFEDMN C=C[C@]1(C)CC[C@@H](Oc2ncnc3nc[nH]c32)C(C)(C)O1 ZINC001227534209 776223219 /nfs/dbraw/zinc/22/32/19/776223219.db2.gz LHNFENFVIBNDMX-MEBBXXQBSA-N 0 1 288.351 2.634 20 30 CFEDMN N#CC(C(=O)CCC1CCCC1)C(=O)Nc1ccccn1 ZINC000125145358 776253411 /nfs/dbraw/zinc/25/34/11/776253411.db2.gz MUWYUFHIAXZLRA-ZDUSSCGKSA-N 0 1 285.347 2.699 20 30 CFEDMN N#CC[C@@H](Oc1[nH]c(=O)nc2cc[nH]c21)c1ccccc1 ZINC001227810913 776297622 /nfs/dbraw/zinc/29/76/22/776297622.db2.gz YUALOTXBLXYHSZ-GFCCVEGCSA-N 0 1 280.287 2.697 20 30 CFEDMN C[C@@H](Oc1[nH]c(=O)nc2cc[nH]c21)c1ccccc1C#N ZINC001227808331 776297971 /nfs/dbraw/zinc/29/79/71/776297971.db2.gz IDCXVMXMWUNHQO-SECBINFHSA-N 0 1 280.287 2.675 20 30 CFEDMN C=C(Cl)C(C)(C)C(=O)N1CCC[C@@H](N(C)CCF)C1 ZINC001027426917 776317668 /nfs/dbraw/zinc/31/76/68/776317668.db2.gz WACLBEWQDPZEBO-GFCCVEGCSA-N 0 1 290.810 2.657 20 30 CFEDMN C=CCCCCCCNC(=O)NC[C@H]1CCN1CC ZINC001228040271 776373588 /nfs/dbraw/zinc/37/35/88/776373588.db2.gz FILOJMDNWSGLCN-CQSZACIVSA-N 0 1 267.417 2.516 20 30 CFEDMN C=C(C)CN1CCC[C@@H]1CNC(=O)c1sccc1C ZINC001027726117 776429268 /nfs/dbraw/zinc/42/92/68/776429268.db2.gz NYECYFTXQCETGF-CYBMUJFWSA-N 0 1 278.421 2.827 20 30 CFEDMN C=C(C)CN1CCC[C@@H]1CNC(=O)c1ccc(Cl)o1 ZINC001027756370 776441457 /nfs/dbraw/zinc/44/14/57/776441457.db2.gz IXLQQBJSXHOCDP-LLVKDONJSA-N 0 1 282.771 2.703 20 30 CFEDMN C[C@@H](CC(C)(C)S)Oc1nc(=O)[nH]cc1Cl ZINC001228483208 776504460 /nfs/dbraw/zinc/50/44/60/776504460.db2.gz SMAVPOZHTHIRFU-LURJTMIESA-N 0 1 262.762 2.701 20 30 CFEDMN CC#CCN1CCC[C@H]1CNC(=O)[C@@H]1C[C@H]1CC(C)(C)C ZINC001027891442 776494225 /nfs/dbraw/zinc/49/42/25/776494225.db2.gz XKRKUZHSPJITKQ-HRCADAONSA-N 0 1 290.451 2.663 20 30 CFEDMN C#CC[N@@H+]1CCC[C@@H]1CNC(=O)c1c(C)oc2ccccc21 ZINC001027902344 776501955 /nfs/dbraw/zinc/50/19/55/776501955.db2.gz OBCKPPDBXDXFAP-CQSZACIVSA-N 0 1 296.370 2.569 20 30 CFEDMN C#CCN1CCC[C@@H]1CNC(=O)c1c(C)oc2ccccc21 ZINC001027902344 776501961 /nfs/dbraw/zinc/50/19/61/776501961.db2.gz OBCKPPDBXDXFAP-CQSZACIVSA-N 0 1 296.370 2.569 20 30 CFEDMN CC#CC[C@@H](CC)Oc1nc(Cl)nc2nc[nH]c21 ZINC001228507410 776508750 /nfs/dbraw/zinc/50/87/50/776508750.db2.gz OMWMLVFGPTYQAG-MRVPVSSYSA-N 0 1 264.716 2.577 20 30 CFEDMN CC#CC[C@H](CC)Oc1nc(C2CC2)[nH]c(=O)c1[N+](=O)[O-] ZINC001228610780 776538919 /nfs/dbraw/zinc/53/89/19/776538919.db2.gz ZJBFVCFRWFXPAN-JTQLQIEISA-N 0 1 291.307 2.539 20 30 CFEDMN C=CCN1CCC[C@@H]1CNC(=O)c1ccc(C)c(F)c1 ZINC001028011484 776555074 /nfs/dbraw/zinc/55/50/74/776555074.db2.gz QRAIDAVVFXTLML-CQSZACIVSA-N 0 1 276.355 2.514 20 30 CFEDMN C=CCN1CCC[C@@H]1CNC(=O)c1c(F)cc(C)cc1F ZINC001028018361 776557634 /nfs/dbraw/zinc/55/76/34/776557634.db2.gz ROZZXVUNGUEACZ-GFCCVEGCSA-N 0 1 294.345 2.653 20 30 CFEDMN C=CC[N@H+]1CCC[C@H]1CNC(=O)[C@@H]1CC[C@@H]2C[C@@H]2CC1 ZINC001028043576 776568792 /nfs/dbraw/zinc/56/87/92/776568792.db2.gz RYSKLGXXRYNVTF-JONQDZQNSA-N 0 1 276.424 2.579 20 30 CFEDMN C=C[C@H](C)[C@H](C)C(=O)NC1CCN(C/C=C\Cl)CC1 ZINC001228749279 776597756 /nfs/dbraw/zinc/59/77/56/776597756.db2.gz RJKARNDAFSUMTH-AAMHTLBISA-N 0 1 284.831 2.778 20 30 CFEDMN C=C1O[C@@H](C)C(=O)C1Oc1ccc([N+](=O)[O-])c(Cl)c1 ZINC001228759159 776600474 /nfs/dbraw/zinc/60/04/74/776600474.db2.gz VWHFOESWUGMDIJ-LURJTMIESA-N 0 1 283.667 2.846 20 30 CFEDMN C=CCN1CCC[C@H]1CNC(=O)c1coc(C(F)F)c1 ZINC001028100988 776621097 /nfs/dbraw/zinc/62/10/97/776621097.db2.gz NIHIRVKCPYFSPQ-NSHDSACASA-N 0 1 284.306 2.597 20 30 CFEDMN C#C[C@H](CC)Oc1nc(C(F)(F)F)cc(O)c1[N+](=O)[O-] ZINC001228859644 776636560 /nfs/dbraw/zinc/63/65/60/776636560.db2.gz MKBRTKRZPCMLLR-ZCFIWIBFSA-N 0 1 290.197 2.505 20 30 CFEDMN C=C1O[C@H](C)C(=O)C1O[C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC001223429494 776664496 /nfs/dbraw/zinc/66/44/96/776664496.db2.gz LGPGLLNUWSMXET-DTWKUNHWSA-N 0 1 277.276 2.892 20 30 CFEDMN C=C1O[C@@H](C)C(=O)C1O[C@H](C)c1cccc([N+](=O)[O-])c1 ZINC001223429492 776664737 /nfs/dbraw/zinc/66/47/37/776664737.db2.gz LGPGLLNUWSMXET-BDAKNGLRSA-N 0 1 277.276 2.892 20 30 CFEDMN CC#CCN1C[C@@H]2CCN(C(=O)C3CCCCCC3)[C@@H]2C1 ZINC001075602625 776666663 /nfs/dbraw/zinc/66/66/63/776666663.db2.gz GKRVBRUHBQHLMX-DLBZAZTESA-N 0 1 288.435 2.513 20 30 CFEDMN CC#CCN(C)CCN(C)C(=O)[C@@H](c1ccccc1)C1CC1 ZINC001268242741 776718875 /nfs/dbraw/zinc/71/88/75/776718875.db2.gz BVPZUHAZLUZVNW-SFHVURJKSA-N 0 1 298.430 2.594 20 30 CFEDMN C=C(C)[C@@H]1CC=C(C)[C@@H](Oc2[nH]c(=O)[nH]c(=O)c2F)C1 ZINC001229120084 776726055 /nfs/dbraw/zinc/72/60/55/776726055.db2.gz PVACZSJYMMAHBN-ZJUUUORDSA-N 0 1 280.299 2.707 20 30 CFEDMN C=CC[C@@H](C)Oc1[nH]c(=O)nc2cc(OC)ccc21 ZINC001229137537 776730090 /nfs/dbraw/zinc/73/00/90/776730090.db2.gz MIXGACVRAIAJTO-SECBINFHSA-N 0 1 260.293 2.687 20 30 CFEDMN C#CCCCC(=O)NCCNCc1c(C)cccc1Cl ZINC001126339543 776745798 /nfs/dbraw/zinc/74/57/98/776745798.db2.gz ZJVJRYUIXJZKMI-UHFFFAOYSA-N 0 1 292.810 2.658 20 30 CFEDMN C=CCC[C@@H](C)N1CC(NC(=O)[C@H](CC)CC(F)F)C1 ZINC001268317190 776746600 /nfs/dbraw/zinc/74/66/00/776746600.db2.gz GLOOXTJLFIRMOG-VXGBXAGGSA-N 0 1 288.382 2.823 20 30 CFEDMN C=CCC[C@@H](C)N1CC(NC(=O)C[C@H]2C=CCCC2)C1 ZINC001268327611 776747900 /nfs/dbraw/zinc/74/79/00/776747900.db2.gz LVCRQBISBLRFEK-CABCVRRESA-N 0 1 276.424 2.888 20 30 CFEDMN C=CC[N@@H+]1CCC[C@H]1CNC(=O)c1cc(CC(C)C)c[nH]1 ZINC001028265803 776773756 /nfs/dbraw/zinc/77/37/56/776773756.db2.gz KJULEAJPMAAZEE-HNNXBMFYSA-N 0 1 289.423 2.593 20 30 CFEDMN C=CCCCN1CC(NC(=O)Cc2cc(C)ccc2C)C1 ZINC001268446323 776812516 /nfs/dbraw/zinc/81/25/16/776812516.db2.gz WNDNHSLKYFPDAI-UHFFFAOYSA-N 0 1 286.419 2.613 20 30 CFEDMN C=CCN1CCC[C@@H]1CNC(=O)c1cc(CC)c(C)s1 ZINC001028305131 776847819 /nfs/dbraw/zinc/84/78/19/776847819.db2.gz HLAZBYFKCCEQSW-CQSZACIVSA-N 0 1 292.448 2.999 20 30 CFEDMN C=C(C)CN1CCC[C@H]1CNC(=O)c1scnc1Cl ZINC001028320985 776853866 /nfs/dbraw/zinc/85/38/66/776853866.db2.gz VTWJSFQXRGYAOT-JTQLQIEISA-N 0 1 299.827 2.567 20 30 CFEDMN C#CCCCC(=O)NCCN[C@@H](C)c1cc(F)ccc1F ZINC001126356201 776855003 /nfs/dbraw/zinc/85/50/03/776855003.db2.gz LVDPHCDUKICLTJ-LBPRGKRZSA-N 0 1 294.345 2.535 20 30 CFEDMN CC#CCN1CCC[C@H]1CNC(=O)C12CCC(CC1)CC2 ZINC001028330254 776858390 /nfs/dbraw/zinc/85/83/90/776858390.db2.gz DOYOSXINNRTIKQ-PQUAAJSLSA-N 0 1 288.435 2.561 20 30 CFEDMN C#C[C@@H](Oc1nc[nH]c(=O)c1Cl)c1ccccc1 ZINC001230015008 776940332 /nfs/dbraw/zinc/94/03/32/776940332.db2.gz SCGHICGFHHEZIC-SNVBAGLBSA-N 0 1 260.680 2.589 20 30 CFEDMN C=CC[C@@H](C=C)Oc1cc2[nH]ncc2cc1[N+](=O)[O-] ZINC001230601785 777023657 /nfs/dbraw/zinc/02/36/57/777023657.db2.gz QBBGTQMFZPJGMZ-SNVBAGLBSA-N 0 1 259.265 2.981 20 30 CFEDMN C=C(C)C(C)(C)C(=O)N[C@H](C)CN(C)CCC(F)(F)F ZINC001268740071 777040288 /nfs/dbraw/zinc/04/02/88/777040288.db2.gz HMCFQIONDSBRNA-LLVKDONJSA-N 0 1 294.361 2.978 20 30 CFEDMN C=CC(C)(C)C(=O)N[C@@H](C)CN(C)Cc1ccsc1 ZINC001268741340 777041901 /nfs/dbraw/zinc/04/19/01/777041901.db2.gz QEABSSDKWURDES-LBPRGKRZSA-N 0 1 280.437 2.897 20 30 CFEDMN C=CCC1(C(=O)N[C@H](C)C[N@H+](C)CC#CC)CCCCC1 ZINC001268756173 777045271 /nfs/dbraw/zinc/04/52/71/777045271.db2.gz HZRPWHGESOUGGR-MRXNPFEDSA-N 0 1 290.451 2.973 20 30 CFEDMN C=CCC1(C(=O)N[C@H](C)CN(C)CC#CC)CCCCC1 ZINC001268756173 777045276 /nfs/dbraw/zinc/04/52/76/777045276.db2.gz HZRPWHGESOUGGR-MRXNPFEDSA-N 0 1 290.451 2.973 20 30 CFEDMN C=C(C)CN1CC[C@@H]1CN(C)C(=O)CC(C)(C)C ZINC001230786197 777064168 /nfs/dbraw/zinc/06/41/68/777064168.db2.gz SCZOTJWRSFJEEW-CYBMUJFWSA-N 0 1 252.402 2.531 20 30 CFEDMN C=CCN1CC(CNC(=O)C[C@@H](C)c2ccccc2C)C1 ZINC001268883585 777069141 /nfs/dbraw/zinc/06/91/41/777069141.db2.gz QLOBPDCGVZDHAW-OAHLLOKOSA-N 0 1 286.419 2.723 20 30 CFEDMN C=CC[C@H](C=C)Oc1[nH]c(=O)nc2ccc(OC)cc21 ZINC001230863284 777077473 /nfs/dbraw/zinc/07/74/73/777077473.db2.gz ZQFPXFBLBZOMAY-JTQLQIEISA-N 0 1 272.304 2.854 20 30 CFEDMN C[C@@H](Oc1[nH]c(=O)nc2cc(F)ccc21)[C@H](C)S ZINC001230882733 777080517 /nfs/dbraw/zinc/08/05/17/777080517.db2.gz HQEGQDUSFKHVCG-RQJHMYQMSA-N 0 1 268.313 2.560 20 30 CFEDMN C#C[C@@H](Oc1[nH]c(=O)nc2cc(C)ccc21)C(C)C ZINC001230889023 777083280 /nfs/dbraw/zinc/08/32/80/777083280.db2.gz RIVDTFMBKKQXSJ-CYBMUJFWSA-N 0 1 256.305 2.680 20 30 CFEDMN CCC#C[C@H](C)Oc1[nH]c(=O)nc2cc(C)ccc21 ZINC001230888387 777083426 /nfs/dbraw/zinc/08/34/26/777083426.db2.gz LOLJVFNMZLHFLL-NSHDSACASA-N 0 1 256.305 2.825 20 30 CFEDMN C=CCC(C)(C)C(=O)N1CC2(CCN2C2CCCC2)C1 ZINC001268985343 777083804 /nfs/dbraw/zinc/08/38/04/777083804.db2.gz NLJTXYGHNFYVDS-UHFFFAOYSA-N 0 1 276.424 2.818 20 30 CFEDMN CC[C@H](C#Cc1ccccc1)Oc1nncc2n[nH]cc21 ZINC001230900533 777088186 /nfs/dbraw/zinc/08/81/86/777088186.db2.gz JEFAFJIBIZJLTF-CYBMUJFWSA-N 0 1 278.315 2.562 20 30 CFEDMN C=C(C)CN1CC[C@H](NC(=O)[C@](C)(F)CCCC)C1 ZINC001269039439 777091268 /nfs/dbraw/zinc/09/12/68/777091268.db2.gz WPOWLINRTVTPJN-DZGCQCFKSA-N 0 1 270.392 2.671 20 30 CFEDMN CCCCCCCCC(=O)N1CC2(CN(C)C2)C1 ZINC001269088990 777100395 /nfs/dbraw/zinc/10/03/95/777100395.db2.gz KKHYUPGWOUTQHR-UHFFFAOYSA-N 0 1 252.402 2.511 20 30 CFEDMN C=CCCCN1CC[C@H]1CN(C)C(=O)c1cnc(C)s1 ZINC001231069427 777131633 /nfs/dbraw/zinc/13/16/33/777131633.db2.gz DGGHPEQQNOLYKX-ZDUSSCGKSA-N 0 1 293.436 2.564 20 30 CFEDMN C=CCOC(=O)c1ccc(OC2C(=C)O[C@@H](C)C2=O)cc1 ZINC001231302029 777187722 /nfs/dbraw/zinc/18/77/22/777187722.db2.gz CWORTDVBLRUEDJ-JTQLQIEISA-N 0 1 288.299 2.628 20 30 CFEDMN C=C(C)C(=O)Nc1ccc(OC2C(=C)O[C@@H](C)C2=O)cc1 ZINC001231315448 777189714 /nfs/dbraw/zinc/18/97/14/777189714.db2.gz QWGJTRAVDNHXGG-JTQLQIEISA-N 0 1 287.315 2.799 20 30 CFEDMN C=C(Cl)CN[C@@H](CC)CNC(=O)C1(C)CC(=C)C1 ZINC001269466185 777193320 /nfs/dbraw/zinc/19/33/20/777193320.db2.gz GRSMANPWWOLYAO-LBPRGKRZSA-N 0 1 270.804 2.580 20 30 CFEDMN C#CCN1CC[C@H]2CC[C@@H](C1)N2C(=O)C(CCC)CCC ZINC001269597868 777219108 /nfs/dbraw/zinc/21/91/08/777219108.db2.gz PVZUCDGCLRLSHT-SJORKVTESA-N 0 1 290.451 2.901 20 30 CFEDMN C=CCCCN1CC(N(C)C(=O)c2cc[nH]c2CCC)C1 ZINC001269839717 777256937 /nfs/dbraw/zinc/25/69/37/777256937.db2.gz RNWXZPCGRMPGSJ-UHFFFAOYSA-N 0 1 289.423 2.690 20 30 CFEDMN C=CCCCN1CC(N(C)C(=O)[C@@H]2C[C@H]2CCC)C1 ZINC001269844167 777257571 /nfs/dbraw/zinc/25/75/71/777257571.db2.gz WOWZLYFBTREDBG-UKRRQHHQSA-N 0 1 264.413 2.531 20 30 CFEDMN C=CCCCN1CC(N(C)C(=O)[C@@H](CC)CCC)C1 ZINC001269867149 777262517 /nfs/dbraw/zinc/26/25/17/777262517.db2.gz SNBWJVKKIGYTMH-AWEZNQCLSA-N 0 1 266.429 2.922 20 30 CFEDMN C=CCCCN1CC(N(C)C(=O)[C@H](CC)CCC)C1 ZINC001269867150 777262637 /nfs/dbraw/zinc/26/26/37/777262637.db2.gz SNBWJVKKIGYTMH-CQSZACIVSA-N 0 1 266.429 2.922 20 30 CFEDMN C#Cc1cccc(CN2CCN(Cc3ccccc3)CC2)c1 ZINC001231654715 777293652 /nfs/dbraw/zinc/29/36/52/777293652.db2.gz BYRMMCBTAWQDCF-UHFFFAOYSA-N 0 1 290.410 2.986 20 30 CFEDMN CCOc1ccc(CN2[C@@H]3CC[C@H]2C[C@H](C#N)C3)cn1 ZINC001231655189 777294936 /nfs/dbraw/zinc/29/49/36/777294936.db2.gz BODJYIXIVZIFJU-QKDCVEJESA-N 0 1 271.364 2.747 20 30 CFEDMN C=C(Cl)CNC[C@H]1CCCN1C(=O)/C=C/c1ccco1 ZINC001270163950 777321984 /nfs/dbraw/zinc/32/19/84/777321984.db2.gz PTZFSWLHBKFRBU-KTRBRXNASA-N 0 1 294.782 2.626 20 30 CFEDMN COc1ccc(C[N@H+]2CCC[C@@H](CC#N)C2)cc1C(=O)[O-] ZINC001231752241 777324495 /nfs/dbraw/zinc/32/44/95/777324495.db2.gz OSJXKGPWCVPTNR-LBPRGKRZSA-N 0 1 288.347 2.519 20 30 CFEDMN C#CC[N@H+](C)Cc1ccc(OC(F)(F)C(F)F)cc1 ZINC001231830742 777345188 /nfs/dbraw/zinc/34/51/88/777345188.db2.gz RNRLDWQDNFTMGH-UHFFFAOYSA-N 0 1 275.245 2.988 20 30 CFEDMN C#CCN(C)Cc1ccc(OC(F)(F)C(F)F)cc1 ZINC001231830742 777345193 /nfs/dbraw/zinc/34/51/93/777345193.db2.gz RNRLDWQDNFTMGH-UHFFFAOYSA-N 0 1 275.245 2.988 20 30 CFEDMN N#CC[C@H]1CCCN(Cc2cc3ccncc3[nH]2)C1 ZINC001232094667 777438019 /nfs/dbraw/zinc/43/80/19/777438019.db2.gz VSYMSAMEHJYZLV-GFCCVEGCSA-N 0 1 254.337 2.689 20 30 CFEDMN N#Cc1ccc(CN2CCC[C@@](F)(CO)CC2)cc1Cl ZINC001232111177 777442598 /nfs/dbraw/zinc/44/25/98/777442598.db2.gz BCMFGGWOOCGBGK-HNNXBMFYSA-N 0 1 296.773 2.898 20 30 CFEDMN C=CCN(C)Cc1c2ccccc2n(C)c1C(=O)OC ZINC001232406472 777549113 /nfs/dbraw/zinc/54/91/13/777549113.db2.gz WNCXKSBBPSZOQC-UHFFFAOYSA-N 0 1 272.348 2.583 20 30 CFEDMN C=CCCCN1CC(N(C)C(=O)CCCC(C)C)C1 ZINC001277665944 777563172 /nfs/dbraw/zinc/56/31/72/777563172.db2.gz IXVURIUXPOUDDY-UHFFFAOYSA-N 0 1 266.429 2.922 20 30 CFEDMN C=C(Cl)CNC[C@@H](C)N(C)C(=O)CC(C)(C)C ZINC001270894221 777581123 /nfs/dbraw/zinc/58/11/23/777581123.db2.gz BQWXFUZOOSPBFG-LLVKDONJSA-N 0 1 260.809 2.612 20 30 CFEDMN O=C(C#CC1CC1)N1C[C@H]2CC[C@@H](C1)N2CC1=CCCCC1 ZINC001029302986 777583426 /nfs/dbraw/zinc/58/34/26/777583426.db2.gz YIAWGBYDJYSFIM-HDICACEKSA-N 0 1 298.430 2.575 20 30 CFEDMN C=CCn1cccc1C(=O)N1C[C@H]2CC[C@@H](C1)N2CC(=C)C ZINC001029338336 777599608 /nfs/dbraw/zinc/59/96/08/777599608.db2.gz ZPBXAHWRGVFZCN-IYBDPMFKSA-N 0 1 299.418 2.539 20 30 CFEDMN COc1cccc(C[N@@H+](C)Cc2cc(C#N)ccc2[O-])c1 ZINC001232675493 777637902 /nfs/dbraw/zinc/63/79/02/777637902.db2.gz AHRINLKNZIAIRL-UHFFFAOYSA-N 0 1 282.343 2.904 20 30 CFEDMN N#Cc1ccc([O-])c(C[N@H+]2CC[C@H](c3ccccn3)C2)c1 ZINC001232680036 777639968 /nfs/dbraw/zinc/63/99/68/777639968.db2.gz XBKWKGRNFRAXRT-AWEZNQCLSA-N 0 1 279.343 2.648 20 30 CFEDMN C[N@H+](Cc1cc(C#N)ccc1[O-])C[C@@H]1Cc2ccccc2O1 ZINC001232680711 777640064 /nfs/dbraw/zinc/64/00/64/777640064.db2.gz GQZGSFWDPKULGK-INIZCTEOSA-N 0 1 294.354 2.699 20 30 CFEDMN COC(C)(C)[C@H]1CCC[N@H+]1Cc1cc(C#N)ccc1[O-] ZINC001232679799 777640479 /nfs/dbraw/zinc/64/04/79/777640479.db2.gz SFZGDQSJTUWNAN-OAHLLOKOSA-N 0 1 274.364 2.653 20 30 CFEDMN C=CCN1CC[C@H](NC(=O)c2ncc(Cl)s2)[C@H]1CC ZINC001087657171 777673744 /nfs/dbraw/zinc/67/37/44/777673744.db2.gz VFYCEHHETJEFMK-VHSXEESVSA-N 0 1 299.827 2.565 20 30 CFEDMN C=CCN1CC[C@H](NC(=O)c2occ3c2CCC3)[C@H]1CC ZINC001087673334 777676834 /nfs/dbraw/zinc/67/68/34/777676834.db2.gz GJBVVRDBZWVQJN-LSDHHAIUSA-N 0 1 288.391 2.537 20 30 CFEDMN CC#CCN1CC[C@H](NC(=O)C2CCC(F)CC2)[C@H]1CC ZINC001087714111 777684967 /nfs/dbraw/zinc/68/49/67/777684967.db2.gz OIJIAIJGSMTERI-SSHXOBKSSA-N 0 1 294.414 2.507 20 30 CFEDMN CCCN(CCC#N)Cc1ccc(N(C)C)cc1O ZINC001232839588 777688600 /nfs/dbraw/zinc/68/86/00/777688600.db2.gz RBIUHBAJRRULQB-UHFFFAOYSA-N 0 1 261.369 2.584 20 30 CFEDMN CC1(C)C[N@@H+](Cc2ccc(C#N)s2)[C@@](C)(CO)C1 ZINC001232842334 777689995 /nfs/dbraw/zinc/68/99/95/777689995.db2.gz YKXSRLOSYVSTTP-CQSZACIVSA-N 0 1 264.394 2.603 20 30 CFEDMN C[C@@]1(CO)CCC[N@@H+](Cc2ccc(C#N)s2)CC1 ZINC001232842203 777690616 /nfs/dbraw/zinc/69/06/16/777690616.db2.gz NZIFGKLCGDQPES-CQSZACIVSA-N 0 1 264.394 2.604 20 30 CFEDMN C=CC[N@@H+]1CC[C@H](NC(=O)[C@@H](F)c2ccccc2)[C@H]1CC ZINC001087742250 777691134 /nfs/dbraw/zinc/69/11/34/777691134.db2.gz BLMPMYNMKTZSBC-XHSDSOJGSA-N 0 1 290.382 2.852 20 30 CFEDMN N#Cc1ccc(CN2CCC3(C[C@@H](F)CO3)CC2)s1 ZINC001232844897 777691385 /nfs/dbraw/zinc/69/13/85/777691385.db2.gz BARTYRPWEIXKJA-LLVKDONJSA-N 0 1 280.368 2.713 20 30 CFEDMN CC1(C)CCC2(CCN(Cc3cccc(C#N)n3)CC2)O1 ZINC001232926379 777721619 /nfs/dbraw/zinc/72/16/19/777721619.db2.gz LUWLKHINYJQNKU-UHFFFAOYSA-N 0 1 285.391 2.877 20 30 CFEDMN Cc1ccc(CN2CCC3(C[C@H]3CCO)CC2)c(C#N)c1 ZINC001232963146 777741178 /nfs/dbraw/zinc/74/11/78/777741178.db2.gz BEHVISLQAGLTEZ-QGZVFWFLSA-N 0 1 284.403 2.851 20 30 CFEDMN COC[C@@H]1CCCCN1Cc1ccc(C)cc1C#N ZINC001232963579 777741545 /nfs/dbraw/zinc/74/15/45/777741545.db2.gz KAWWWWZRXCQZEW-INIZCTEOSA-N 0 1 258.365 2.868 20 30 CFEDMN Cc1ccc(CN2CCC3(C[C@@H](F)CO3)CC2)c(C#N)c1 ZINC001232967083 777742781 /nfs/dbraw/zinc/74/27/81/777742781.db2.gz ALKHMVRFXGXKOL-MRXNPFEDSA-N 0 1 288.366 2.960 20 30 CFEDMN COc1cccc(NC(=O)C(C#N)C(=O)C2CCCC2)c1 ZINC000127011567 777763527 /nfs/dbraw/zinc/76/35/27/777763527.db2.gz MEYCJONTQKFNDB-CQSZACIVSA-N 0 1 286.331 2.533 20 30 CFEDMN C[C@H](C#N)N(C)Cc1c(O)cc(Br)cc1F ZINC001233029179 777769413 /nfs/dbraw/zinc/76/94/13/777769413.db2.gz AVYCUVUBGLMOGH-SSDOTTSWSA-N 0 1 287.132 2.638 20 30 CFEDMN CCCCN(CC#N)Cc1ccc(F)c(F)c1O ZINC001233078359 777788949 /nfs/dbraw/zinc/78/89/49/777788949.db2.gz SIDSODFFYRXIIX-UHFFFAOYSA-N 0 1 254.280 2.796 20 30 CFEDMN CCC[N@@H+](CCC#N)Cc1ccc(F)c(F)c1[O-] ZINC001233077424 777789970 /nfs/dbraw/zinc/78/99/70/777789970.db2.gz NEOVZJQEBSWLCK-UHFFFAOYSA-N 0 1 254.280 2.796 20 30 CFEDMN CN(C)c1ccc(CN2CCCCC2)c(F)c1C#N ZINC001233096663 777795704 /nfs/dbraw/zinc/79/57/04/777795704.db2.gz JXIFBDKPYSAEGA-UHFFFAOYSA-N 0 1 261.344 2.749 20 30 CFEDMN Cc1c[nH]c(=O)c(CN2CCc3cc(C#N)ccc3C2)c1 ZINC001233190748 777821142 /nfs/dbraw/zinc/82/11/42/777821142.db2.gz LLTUWKNJBJWNSW-UHFFFAOYSA-N 0 1 279.343 2.526 20 30 CFEDMN N#CCc1cc(N[C@@H]2C[C@H]2c2ccc(F)c(F)c2)ccn1 ZINC001168067416 777913183 /nfs/dbraw/zinc/91/31/83/777913183.db2.gz HXNKNQKHLVCQHL-XJKSGUPXSA-N 0 1 285.297 2.816 20 30 CFEDMN C[C@]1(F)CCCC[N@@H+](Cc2ccc(C#N)cc2[O-])C1 ZINC001233383382 777925290 /nfs/dbraw/zinc/92/52/90/777925290.db2.gz FYDXJTWIISVUOO-HNNXBMFYSA-N 0 1 262.328 2.978 20 30 CFEDMN COc1ccc2c(c1)C[N@H+](Cc1ccc(C#N)cc1[O-])CC2 ZINC001233383639 777927604 /nfs/dbraw/zinc/92/76/04/777927604.db2.gz PGXDPDRPNDCPHF-UHFFFAOYSA-N 0 1 294.354 2.831 20 30 CFEDMN CCc1cc(C)c(C#N)c(O[C@@H]2CCC[N@H+](CC)C2)n1 ZINC001233555023 777989804 /nfs/dbraw/zinc/98/98/04/777989804.db2.gz CZINSQXHJVUOGX-CQSZACIVSA-N 0 1 273.380 2.687 20 30 CFEDMN CC/C(C)=C/C(=O)N(C)C[C@H](C)NCc1ccccc1C#N ZINC001277809096 778085696 /nfs/dbraw/zinc/08/56/96/778085696.db2.gz FHFZJKOVEAMUOJ-IPJDOKCGSA-N 0 1 299.418 2.851 20 30 CFEDMN CC/C(C)=C\C(=O)N(C)C[C@@H](C)NCc1ccccc1C#N ZINC001277809095 778086165 /nfs/dbraw/zinc/08/61/65/778086165.db2.gz FHFZJKOVEAMUOJ-BAAYTWLHSA-N 0 1 299.418 2.851 20 30 CFEDMN C#CCCCC(=O)N(C)C[C@@H]1CC[N@H+]1Cc1ccccc1 ZINC001233966824 778125749 /nfs/dbraw/zinc/12/57/49/778125749.db2.gz QQGDWADEGBLRFJ-KRWDZBQOSA-N 0 1 284.403 2.523 20 30 CFEDMN C#CCCCC(=O)N(C)C[C@@H]1CCN1Cc1ccccc1 ZINC001233966824 778125753 /nfs/dbraw/zinc/12/57/53/778125753.db2.gz QQGDWADEGBLRFJ-KRWDZBQOSA-N 0 1 284.403 2.523 20 30 CFEDMN C#C[C@H](CCC)Oc1nc2cccc(C(=O)OC)c2[nH]1 ZINC001234042709 778151072 /nfs/dbraw/zinc/15/10/72/778151072.db2.gz ATULMOGYIBUSGE-SNVBAGLBSA-N 0 1 272.304 2.530 20 30 CFEDMN CC#C[C@H](CC)Oc1nc2cccc(C(=O)OC)c2[n-]1 ZINC001234046200 778152077 /nfs/dbraw/zinc/15/20/77/778152077.db2.gz ZMMVNFCTHWCUCA-JTQLQIEISA-N 0 1 272.304 2.530 20 30 CFEDMN CC#C[C@H](CC)Oc1nc2cccc(C(=O)OC)c2[nH]1 ZINC001234046200 778152079 /nfs/dbraw/zinc/15/20/79/778152079.db2.gz ZMMVNFCTHWCUCA-JTQLQIEISA-N 0 1 272.304 2.530 20 30 CFEDMN C=C1O[C@@H](C)C(=O)C1Oc1nc(Cl)nc2c1CCCC2 ZINC001234064911 778156161 /nfs/dbraw/zinc/15/61/61/778156161.db2.gz KOVPAYORZIHLFP-ZETCQYMHSA-N 0 1 294.738 2.607 20 30 CFEDMN C=CCN1C[C@@H]2CCN(C(=O)c3ccc(C(C)C)nc3)[C@@H]2C1 ZINC001075881232 778168427 /nfs/dbraw/zinc/16/84/27/778168427.db2.gz JKWCGVYSPCBSEQ-DOTOQJQBSA-N 0 1 299.418 2.537 20 30 CFEDMN C=CCCC[N@@H+]1CC[C@@H]1CN(C)C(=O)[C@H](OCC)C(C)C ZINC001234255467 778194469 /nfs/dbraw/zinc/19/44/69/778194469.db2.gz NRHHQIRRWUGGMM-HZPDHXFCSA-N 0 1 296.455 2.546 20 30 CFEDMN C#CCN1CC[C@@H]2[C@@H]1CCCN2C(=O)[C@@H](CC)CC(C)C ZINC001272042193 778215229 /nfs/dbraw/zinc/21/52/29/778215229.db2.gz BJXHCHICUZLQSJ-YESZJQIVSA-N 0 1 290.451 2.757 20 30 CFEDMN C#C[C@@H](C)Oc1[nH]c(=O)nc2cc(C(F)(F)F)ccc21 ZINC001234412611 778219178 /nfs/dbraw/zinc/21/91/78/778219178.db2.gz SMXJQNWQWDGTHA-SSDOTTSWSA-N 0 1 282.221 2.755 20 30 CFEDMN C=C1O[C@@H](CC)C(=O)C1Oc1noc2c1CCCC2 ZINC001234456490 778230007 /nfs/dbraw/zinc/23/00/07/778230007.db2.gz PFHMETCLCPDGMP-JTQLQIEISA-N 0 1 263.293 2.542 20 30 CFEDMN C[C@H](Oc1[nH]c(=O)nc2cccc(C#N)c21)C(F)(F)F ZINC001234511937 778241051 /nfs/dbraw/zinc/24/10/51/778241051.db2.gz YVZWCBVGRWLZMX-LURJTMIESA-N 0 1 283.209 2.537 20 30 CFEDMN C[C@@H](Oc1[nH]c(=O)nc2ccc(C#N)cc21)C(F)(F)F ZINC001234515447 778241435 /nfs/dbraw/zinc/24/14/35/778241435.db2.gz HVIMNEOPIGSQPU-ZCFIWIBFSA-N 0 1 283.209 2.537 20 30 CFEDMN C[C@@H](Cc1ccco1)Oc1[nH]c(=O)nc2ccc(C#N)cc21 ZINC001234530235 778245388 /nfs/dbraw/zinc/24/53/88/778245388.db2.gz JKLDJUXWFTWDQH-JTQLQIEISA-N 0 1 295.298 2.810 20 30 CFEDMN C#C[C@@H](CCCC)Oc1nc(C)[nH]c(=O)c1Br ZINC001234570320 778254950 /nfs/dbraw/zinc/25/49/50/778254950.db2.gz WOEFWWFGYKZEEF-VIFPVBQESA-N 0 1 299.168 2.824 20 30 CFEDMN C=C(C)CCC(=O)N(C)C[C@@H]1CCN1CC=C(C)C ZINC001234614151 778265358 /nfs/dbraw/zinc/26/53/58/778265358.db2.gz NSWVBVLKUAUARE-HNNXBMFYSA-N 0 1 264.413 2.842 20 30 CFEDMN C=CC[C@@H](CCC)Oc1nc(F)nc2nc[nH]c21 ZINC001234689628 778288913 /nfs/dbraw/zinc/28/89/13/778288913.db2.gz ICNRKGLVWBMLGI-QMMMGPOBSA-N 0 1 250.277 2.616 20 30 CFEDMN C=CCCCC(=O)N(C)CCN(C)Cc1cccc(C#N)c1 ZINC001272098953 778345089 /nfs/dbraw/zinc/34/50/89/778345089.db2.gz ZNOPXKFIKDWTAI-UHFFFAOYSA-N 0 1 299.418 2.805 20 30 CFEDMN N=C(Nc1cc(N2CCCCC2)ccn1)c1nccs1 ZINC001168275358 778363972 /nfs/dbraw/zinc/36/39/72/778363972.db2.gz BXUQHDWQLHBXDS-UHFFFAOYSA-N 0 1 287.392 2.565 20 30 CFEDMN CCCCCCCCCN1C[C@@H](C)O[C@H](CO)C1 ZINC000299961995 778372266 /nfs/dbraw/zinc/37/22/66/778372266.db2.gz KOHSJPRXFXUUGD-CABCVRRESA-N 0 1 257.418 2.819 20 30 CFEDMN C=CCN1CCN(Cc2cccc(N3CCCC3)c2)CC1 ZINC001235092803 778377275 /nfs/dbraw/zinc/37/72/75/778377275.db2.gz PDCGQZNVWPMBKS-UHFFFAOYSA-N 0 1 285.435 2.590 20 30 CFEDMN C=CCN1CC[C@@H]1CN(C)C(=O)C[C@H]1CCC(F)(F)C1 ZINC001235142781 778395379 /nfs/dbraw/zinc/39/53/79/778395379.db2.gz QWBLYWFQMNPRIQ-CHWSQXEVSA-N 0 1 286.366 2.531 20 30 CFEDMN C=C(C)CN1CC[C@H]1CN(C)C(=O)C(C)(C)CC(F)F ZINC001235223329 778417951 /nfs/dbraw/zinc/41/79/51/778417951.db2.gz BSKAWRCZTAZWDD-LBPRGKRZSA-N 0 1 288.382 2.777 20 30 CFEDMN CCOc1cc(O)cc(CN2CCC[C@@H](C#N)CC2)c1 ZINC001235410443 778479779 /nfs/dbraw/zinc/47/97/79/778479779.db2.gz QTRIUSWTSZRVRZ-CYBMUJFWSA-N 0 1 274.364 2.917 20 30 CFEDMN N#C[C@@H](C(=O)Nc1ccccc1)C(=O)[C@@H]1CC1(Cl)Cl ZINC000128110168 778480450 /nfs/dbraw/zinc/48/04/50/778480450.db2.gz YALZHXCRFFEXTK-ZJUUUORDSA-N 0 1 297.141 2.528 20 30 CFEDMN CC(C)C#CC(=O)NCCN[C@@H](C)c1ccccc1Cl ZINC001126834141 778484115 /nfs/dbraw/zinc/48/41/15/778484115.db2.gz KOMJKXLUBRLHRF-ZDUSSCGKSA-N 0 1 292.810 2.766 20 30 CFEDMN CC1=C(OCCOc2cccc(C)c2)C(=O)[C@@H](C)O1 ZINC001224408276 778501822 /nfs/dbraw/zinc/50/18/22/778501822.db2.gz XKKLKILOQPXBDE-LLVKDONJSA-N 0 1 262.305 2.610 20 30 CFEDMN N#CCCCCN1CC2(CCN2CCCC(F)(F)F)C1 ZINC001277948205 778503612 /nfs/dbraw/zinc/50/36/12/778503612.db2.gz GKTUQNGQLRNGOF-UHFFFAOYSA-N 0 1 289.345 2.783 20 30 CFEDMN N#CCc1ccccc1C[N@H+]1CCc2cc(CO)ccc2C1 ZINC001235512830 778508391 /nfs/dbraw/zinc/50/83/91/778508391.db2.gz VUOHXNWLUUMVJD-UHFFFAOYSA-N 0 1 292.382 2.803 20 30 CFEDMN Cc1nc([C@H]2CCC[N@@H+](Cc3ccccc3CC#N)C2)no1 ZINC001235512997 778508737 /nfs/dbraw/zinc/50/87/37/778508737.db2.gz YGTRZVWHKDUWRF-INIZCTEOSA-N 0 1 296.374 2.824 20 30 CFEDMN CCCCCCCN(CC)CC1=CS[C@H](N)N1 ZINC001235663449 778530810 /nfs/dbraw/zinc/53/08/10/778530810.db2.gz VXLMUOLDDBMFMU-CYBMUJFWSA-N 0 1 257.447 2.699 20 30 CFEDMN CCCCCCCN(CC)CC1=CS[C@@H](N)N1 ZINC001235663556 778530709 /nfs/dbraw/zinc/53/07/09/778530709.db2.gz VXLMUOLDDBMFMU-ZDUSSCGKSA-N 0 1 257.447 2.699 20 30 CFEDMN C=CCCC[N@@H+]1CC[C@H]1CN(C)C(=O)[C@H]1CCC1(F)F ZINC001235682421 778535657 /nfs/dbraw/zinc/53/56/57/778535657.db2.gz DIOWGXJGPQSAOG-QWHCGFSZSA-N 0 1 286.366 2.531 20 30 CFEDMN CC1(C#N)CCN(Cc2nc3ccc(F)cc3[nH]2)CC1 ZINC001235696013 778540964 /nfs/dbraw/zinc/54/09/64/778540964.db2.gz XWNOMBRNOBYLFR-UHFFFAOYSA-N 0 1 272.327 2.828 20 30 CFEDMN CC#CC[N@H+]1CCC[C@]2(CCN(C(=O)C3(C)CCC3)C2)C1 ZINC001040337150 778542352 /nfs/dbraw/zinc/54/23/52/778542352.db2.gz LGTIVJODDGYQLG-SFHVURJKSA-N 0 1 288.435 2.514 20 30 CFEDMN C=CCN1CC[C@H](NC(=O)c2cccc(Cl)c2F)[C@H]1C ZINC001088832504 778568051 /nfs/dbraw/zinc/56/80/51/778568051.db2.gz RFFBRGLNIDORGR-MFKMUULPSA-N 0 1 296.773 2.858 20 30 CFEDMN C=C(C)C[N@H+]1C[C@@H]2CCN(C(=O)[C@@H]3CCC3(C)C)[C@@H]2C1 ZINC001076153699 778573102 /nfs/dbraw/zinc/57/31/02/778573102.db2.gz JNFVUDRYJCWORG-SOUVJXGZSA-N 0 1 276.424 2.531 20 30 CFEDMN CN(C)Cc1ccc(-c2ccc(F)c(C#N)c2)nc1 ZINC001235891845 778593061 /nfs/dbraw/zinc/59/30/61/778593061.db2.gz UMLAXCDNHBPPGR-UHFFFAOYSA-N 0 1 255.296 2.821 20 30 CFEDMN C=C(C)CCN1CC(NC(=O)C=C2CCCCC2)C1 ZINC001030144059 778797550 /nfs/dbraw/zinc/79/75/50/778797550.db2.gz KACUQMGXNRQOHV-UHFFFAOYSA-N 0 1 262.397 2.644 20 30 CFEDMN C#C[C@@H]1CCCN(Cc2cc(F)cc3c2OCCC3)C1 ZINC001236629592 778898855 /nfs/dbraw/zinc/89/88/55/778898855.db2.gz LOLKUCZROVRYSW-CYBMUJFWSA-N 0 1 273.351 2.996 20 30 CFEDMN COc1ccccc1NC(=O)C(C#N)C(=O)c1occc1C ZINC000129941249 778905269 /nfs/dbraw/zinc/90/52/69/778905269.db2.gz CJIUPUURPWWPTI-LLVKDONJSA-N 0 1 298.298 2.558 20 30 CFEDMN C#CCN1CC[C@H](NC(=O)c2cccc(C(C)(C)C)c2)[C@H]1C ZINC001088933812 778953859 /nfs/dbraw/zinc/95/38/59/778953859.db2.gz UKNVZEVAJAWJPA-PBHICJAKSA-N 0 1 298.430 2.810 20 30 CFEDMN CC#CCN1CC[C@H](NC(=O)[C@H]2CC[C@H](CC)CC2)[C@H]1C ZINC001088993220 778968436 /nfs/dbraw/zinc/96/84/36/778968436.db2.gz WIHSXUDFUCGVMY-VQHPVUNQSA-N 0 1 290.451 2.805 20 30 CFEDMN CC#CC[N@H+]1CC[C@H](NC(=O)c2cc(C)cc(C)c2)[C@H]1C ZINC001089004030 778973026 /nfs/dbraw/zinc/97/30/26/778973026.db2.gz VHOVWBCIPDNUOT-WBVHZDCISA-N 0 1 284.403 2.519 20 30 CFEDMN CC#CCN1CC[C@H](NC(=O)c2cc(C)cc(C)c2)[C@H]1C ZINC001089004030 778973028 /nfs/dbraw/zinc/97/30/28/778973028.db2.gz VHOVWBCIPDNUOT-WBVHZDCISA-N 0 1 284.403 2.519 20 30 CFEDMN CC#CCN1CC[C@H](NC(=O)c2cccc(C)c2C)[C@H]1C ZINC001089016801 778973521 /nfs/dbraw/zinc/97/35/21/778973521.db2.gz VGFVHDUCQMRTQA-WBVHZDCISA-N 0 1 284.403 2.519 20 30 CFEDMN C#CCN1CC[C@H](NC(=O)C[C@@H]2CCCCC2(C)C)[C@H]1C ZINC001089083642 778990660 /nfs/dbraw/zinc/99/06/60/778990660.db2.gz BTTIFSCVMLTHHL-PMPSAXMXSA-N 0 1 290.451 2.805 20 30 CFEDMN C=CCN1CCN(Cc2c(C)cc(F)cc2C)CC1 ZINC001237323964 779076748 /nfs/dbraw/zinc/07/67/48/779076748.db2.gz YSVRMVKXJZTLDS-UHFFFAOYSA-N 0 1 262.372 2.746 20 30 CFEDMN C#CCN(Cc1cc(C)c(C(=O)OC)o1)C1CCCC1 ZINC000176385584 779119573 /nfs/dbraw/zinc/11/95/73/779119573.db2.gz KDDZIKRCAINTML-UHFFFAOYSA-N 0 1 275.348 2.752 20 30 CFEDMN CC(C)(C)c1cc(C(=O)Nc2cc(C#N)ccc2O)n[nH]1 ZINC000176396085 779122364 /nfs/dbraw/zinc/12/23/64/779122364.db2.gz KXQMGKNDNAZXIG-UHFFFAOYSA-N 0 1 284.319 2.537 20 30 CFEDMN Cc1ccc(OCC(=O)Nc2cc(C#N)ccc2O)cc1 ZINC000176396173 779122570 /nfs/dbraw/zinc/12/25/70/779122570.db2.gz MOEIVIHFMIBQDQ-UHFFFAOYSA-N 0 1 282.299 2.590 20 30 CFEDMN N#Cc1ccc(O)c(NC(=O)Cc2ccc3c(c2)CCC3)c1 ZINC000176405538 779125750 /nfs/dbraw/zinc/12/57/50/779125750.db2.gz NZBURJFUSCLOIB-UHFFFAOYSA-N 0 1 292.338 2.934 20 30 CFEDMN CN(Cc1cc(C#N)c(F)cc1F)[C@H]1CC[C@H](O)CC1 ZINC001237524894 779126789 /nfs/dbraw/zinc/12/67/89/779126789.db2.gz NRWJYSGQZVLZBF-JOCQHMNTSA-N 0 1 280.318 2.572 20 30 CFEDMN CCC1CCN(Cc2cn3cc(C#N)ccc3n2)CC1 ZINC001237605707 779140930 /nfs/dbraw/zinc/14/09/30/779140930.db2.gz AQXNLLRYSXTYRI-UHFFFAOYSA-N 0 1 268.364 2.828 20 30 CFEDMN FC(F)Oc1cc(CN2CCC(S)CC2)ccn1 ZINC001237616507 779144425 /nfs/dbraw/zinc/14/44/25/779144425.db2.gz PEPFVBXGZYQUDZ-UHFFFAOYSA-N 0 1 274.336 2.577 20 30 CFEDMN C#C[C@H]1CCCN(Cc2[nH]c(-c3ccc[nH]3)cc2OC)C1 ZINC001237882755 779200294 /nfs/dbraw/zinc/20/02/94/779200294.db2.gz PXIXLOXDYFHVNS-ZDUSSCGKSA-N 0 1 283.375 2.864 20 30 CFEDMN COc1ncc(C2CC2)cc1CN1CCC(S)CC1 ZINC001238028195 779237308 /nfs/dbraw/zinc/23/73/08/779237308.db2.gz JCZUYDCJXMTXLF-UHFFFAOYSA-N 0 1 278.421 2.862 20 30 CFEDMN C#CCN(C)Cc1cc(OC)ccc1C(F)(F)F ZINC001238054775 779241236 /nfs/dbraw/zinc/24/12/36/779241236.db2.gz BSLOAVLRCPLUMO-UHFFFAOYSA-N 0 1 257.255 2.779 20 30 CFEDMN N#Cc1ccc(CN2CC[C@@]3(CCCO3)C2)c(Cl)c1 ZINC001238083737 779249079 /nfs/dbraw/zinc/24/90/79/779249079.db2.gz WVQKBGPKLOSRCO-HNNXBMFYSA-N 0 1 276.767 2.967 20 30 CFEDMN C[C@H]1CN(Cc2ccc(C#N)cc2Cl)CC[C@@]1(C)O ZINC001238082553 779249502 /nfs/dbraw/zinc/24/95/02/779249502.db2.gz JQOYDDFJLGLRMS-XHDPSFHLSA-N 0 1 278.783 2.804 20 30 CFEDMN COc1c(C)cnc(CN2CCC[C@@H](C#N)CC2)c1C ZINC001238176094 779269557 /nfs/dbraw/zinc/26/95/57/779269557.db2.gz PTRIRKBUOBIWDO-CQSZACIVSA-N 0 1 273.380 2.833 20 30 CFEDMN N#Cc1cc(CN2CC[C@H]3OCC[C@@H]3C2)ccc1Cl ZINC001238198552 779279250 /nfs/dbraw/zinc/27/92/50/779279250.db2.gz LLNFPTBRTMEQFC-IUODEOHRSA-N 0 1 276.767 2.822 20 30 CFEDMN N#Cc1cc(F)c(CN2CCN(C3CCC3)CC2)c(F)c1 ZINC001235651156 779368081 /nfs/dbraw/zinc/36/80/81/779368081.db2.gz KUTCJRDFBPCLID-UHFFFAOYSA-N 0 1 291.345 2.507 20 30 CFEDMN CN1CCN(c2cc(-c3cccc(F)c3C#N)ccn2)CC1 ZINC001238821725 779398171 /nfs/dbraw/zinc/39/81/71/779398171.db2.gz MFFWCNNDMLGDIE-UHFFFAOYSA-N 0 1 296.349 2.511 20 30 CFEDMN N#Cc1nc(-c2ccc(C3CC3)nc2)cc2[nH]cnc21 ZINC001238847214 779402413 /nfs/dbraw/zinc/40/24/13/779402413.db2.gz IIKARAZZJBEUOM-UHFFFAOYSA-N 0 1 261.288 2.769 20 30 CFEDMN C=CCN1CCC(F)(F)[C@H](CNC(=O)[C@@H]2CC=CCC2)C1 ZINC001046919015 779406133 /nfs/dbraw/zinc/40/61/33/779406133.db2.gz NGSFVNOXRULOOD-ZIAGYGMSSA-N 0 1 298.377 2.602 20 30 CFEDMN C=C(C)CN1CC(CNC(=O)C2CCCCCC2)C1 ZINC001031573014 779494752 /nfs/dbraw/zinc/49/47/52/779494752.db2.gz RCQVIYNAXVIGKV-UHFFFAOYSA-N 0 1 264.413 2.581 20 30 CFEDMN C=C(C)CN1CC(CNC(=O)[C@@H]2C[C@H]2CC(C)(C)C)C1 ZINC001031683791 779527954 /nfs/dbraw/zinc/52/79/54/779527954.db2.gz PKYBSBJTVKYXHY-LSDHHAIUSA-N 0 1 278.440 2.683 20 30 CFEDMN CC(=O)NC[C@H]1CCC(C)(C)CN1CC#Cc1ccccc1 ZINC001089598696 779537327 /nfs/dbraw/zinc/53/73/27/779537327.db2.gz MBVUFJVIRWNYQN-GOSISDBHSA-N 0 1 298.430 2.665 20 30 CFEDMN C#CCN1CC(C)(C)CC[C@H]1CNC(=O)c1ccsc1 ZINC001089607711 779542331 /nfs/dbraw/zinc/54/23/31/779542331.db2.gz QKLHNZVKYBWTQC-AWEZNQCLSA-N 0 1 290.432 2.602 20 30 CFEDMN C#CCN(C)Cc1ccccc1CNC(=O)[C@@H]1C[C@@H]1C(C)C ZINC001272675323 779545501 /nfs/dbraw/zinc/54/55/01/779545501.db2.gz JEQJNWCMKBRTQF-QZTJIDSGSA-N 0 1 298.430 2.660 20 30 CFEDMN CC#CCN1CC(C)(C)CC[C@@H]1CNC(=O)C1CC=CC1 ZINC001089622933 779546315 /nfs/dbraw/zinc/54/63/15/779546315.db2.gz LIQLZRPCTMOUNS-MRXNPFEDSA-N 0 1 288.435 2.583 20 30 CFEDMN C#CCN1CC(C)(C)CC[C@H]1CNC(=O)[C@H]1CCC1(C)C ZINC001089683844 779566384 /nfs/dbraw/zinc/56/63/84/779566384.db2.gz HTYYDYJXXDTWQJ-LSDHHAIUSA-N 0 1 290.451 2.663 20 30 CFEDMN C=C(C)CN1CC(CNC(=O)[C@@H]2C[C@@]2(CC)C(C)C)C1 ZINC001032086381 779732269 /nfs/dbraw/zinc/73/22/69/779732269.db2.gz JFTZTNLGZZUZBF-RDJZCZTQSA-N 0 1 278.440 2.683 20 30 CFEDMN C=C(C)CN1CC(CNC(=O)[C@H]2CCCC[C@@H]2CC)C1 ZINC001032088347 779733277 /nfs/dbraw/zinc/73/32/77/779733277.db2.gz HPERYLAFOXOBOQ-HOTGVXAUSA-N 0 1 278.440 2.827 20 30 CFEDMN COc1cccc(-c2cc3[nH]cnc3c(C#N)n2)c1F ZINC001239748399 779742738 /nfs/dbraw/zinc/74/27/38/779742738.db2.gz RMRDJEKJKKPZRF-UHFFFAOYSA-N 0 1 268.251 2.644 20 30 CFEDMN C=C(C)CN1CC(CNC(=O)c2cc(C)c(F)c(C)c2)C1 ZINC001032193385 779758025 /nfs/dbraw/zinc/75/80/25/779758025.db2.gz VLZHIVBJEFRWDP-UHFFFAOYSA-N 0 1 290.382 2.680 20 30 CFEDMN C=C(C)CN1CC(CNC(=O)c2ccc(C3CC3)cc2)C1 ZINC001032200967 779763572 /nfs/dbraw/zinc/76/35/72/779763572.db2.gz MFYSKYBXFZDJPQ-UHFFFAOYSA-N 0 1 284.403 2.802 20 30 CFEDMN C=CCN1CC(CNC(=O)c2c(CC)oc3ccccc32)C1 ZINC001032207581 779764420 /nfs/dbraw/zinc/76/44/20/779764420.db2.gz DQZVOVIHHXTZAP-UHFFFAOYSA-N 0 1 298.386 2.843 20 30 CFEDMN C=C(C)CCN1C[C@@H]2C[C@H]1CN2C(=O)c1cccs1 ZINC001032261089 779799164 /nfs/dbraw/zinc/79/91/64/779799164.db2.gz XMJLDESLUISWGD-STQMWFEESA-N 0 1 276.405 2.613 20 30 CFEDMN C=C(C)CCN1CCO[C@@](C)(CNC(=O)CC(C)(C)C)C1 ZINC001107743467 779891560 /nfs/dbraw/zinc/89/15/60/779891560.db2.gz QTNJWVNUCLMLPE-KRWDZBQOSA-N 0 1 296.455 2.596 20 30 CFEDMN C=CCCCCC[N@H+]1CCO[C@](C)(CNC(=O)C(C)C)C1 ZINC001107747827 779892770 /nfs/dbraw/zinc/89/27/70/779892770.db2.gz HIMYCHAPJFOHEL-QGZVFWFLSA-N 0 1 296.455 2.596 20 30 CFEDMN C=CCCCCCN1CCO[C@](C)(CNC(=O)C(C)C)C1 ZINC001107747827 779892772 /nfs/dbraw/zinc/89/27/72/779892772.db2.gz HIMYCHAPJFOHEL-QGZVFWFLSA-N 0 1 296.455 2.596 20 30 CFEDMN C=C(C)CN1C[C@@H]2C[C@H]1CN2C(=O)C[C@H]1C=CCCC1 ZINC001032471082 779963655 /nfs/dbraw/zinc/96/36/55/779963655.db2.gz NBSNIXBWFXAXHV-JYJNAYRXSA-N 0 1 274.408 2.594 20 30 CFEDMN N#Cc1ccc(-c2cc(N3CCOCC3)ccn2)cc1F ZINC001240144750 779966690 /nfs/dbraw/zinc/96/66/90/779966690.db2.gz YHPJXILUBBOOGB-UHFFFAOYSA-N 0 1 283.306 2.596 20 30 CFEDMN C=CC(C)(C)C(=O)N1C[C@@H]2C[C@H]1CN2Cc1cccc(C)c1 ZINC001032563235 780037274 /nfs/dbraw/zinc/03/72/74/780037274.db2.gz SWBHLWKIKCVSKB-IRXDYDNUSA-N 0 1 298.430 2.992 20 30 CFEDMN COC1CCC(Nc2c[nH]c3c(C#N)cnc-3c2)CC1 ZINC001168608114 780040364 /nfs/dbraw/zinc/04/03/64/780040364.db2.gz FJYNEMIAORNUNG-UHFFFAOYSA-N 0 1 270.336 2.804 20 30 CFEDMN C=C(C)CN1CC[C@H]1CNC(=O)C1CCC2(CC2)CC1 ZINC001038525469 780049641 /nfs/dbraw/zinc/04/96/41/780049641.db2.gz PUTLYELAFIYQBW-HNNXBMFYSA-N 0 1 276.424 2.723 20 30 CFEDMN CC(=O)NCc1cccc(-c2nccc3[nH]cc(C#N)c32)c1 ZINC001240349382 780100907 /nfs/dbraw/zinc/10/09/07/780100907.db2.gz TXNHYGKLCRNXGX-UHFFFAOYSA-N 0 1 290.326 2.738 20 30 CFEDMN COc1ccc(F)cc1-c1cc2[nH]cnc2c(C#N)n1 ZINC001239717516 780107322 /nfs/dbraw/zinc/10/73/22/780107322.db2.gz BOTJUKKJLQGXPH-UHFFFAOYSA-N 0 1 268.251 2.644 20 30 CFEDMN COc1ccc(NC(=O)C(C#N)C(=O)C2CCCC2)cc1 ZINC000131625553 780126869 /nfs/dbraw/zinc/12/68/69/780126869.db2.gz SVUCEDNWRLXCIJ-AWEZNQCLSA-N 0 1 286.331 2.533 20 30 CFEDMN C[C@@]1(C(=O)NCCNCc2ccccc2C#N)CC=CCC1 ZINC001128113974 780191259 /nfs/dbraw/zinc/19/12/59/780191259.db2.gz UFVNROAUJUEXQF-GOSISDBHSA-N 0 1 297.402 2.510 20 30 CFEDMN N#Cc1c[nH]c2ccnc(-c3ccc4c[nH]nc4c3)c12 ZINC001240555163 780248516 /nfs/dbraw/zinc/24/85/16/780248516.db2.gz YKPDGQCOQJDLJR-UHFFFAOYSA-N 0 1 259.272 2.978 20 30 CFEDMN C=C(C)CN1C[C@@H]2C[C@H]1CN2C(=O)[C@@H]1CC2CCC1CC2 ZINC001032806326 780260342 /nfs/dbraw/zinc/26/03/42/780260342.db2.gz MGXCEVJGPKBAIZ-LMNGEROHSA-N 0 1 288.435 2.674 20 30 CFEDMN CN1CCN(c2ccc(-c3nccc(C#N)c3F)cc2)CC1 ZINC001240848981 780474258 /nfs/dbraw/zinc/47/42/58/780474258.db2.gz JTANGPZWOCVPRR-UHFFFAOYSA-N 0 1 296.349 2.511 20 30 CFEDMN CC#Cc1cncc(-c2ccc(N3CCN(C)CC3)cc2)c1 ZINC001240854460 780479607 /nfs/dbraw/zinc/47/96/07/780479607.db2.gz IQBQPBGXJQXRAX-UHFFFAOYSA-N 0 1 291.398 2.872 20 30 CFEDMN CC#CCN1CC[C@H](N(C)C(=O)CC2CCCCC2)C1 ZINC001032887300 780499413 /nfs/dbraw/zinc/49/94/13/780499413.db2.gz ASIGXKPOFHPWGX-INIZCTEOSA-N 0 1 276.424 2.513 20 30 CFEDMN C=CCN1CC[C@H](N(C)C(=O)C(F)=C2CCCC2)C1 ZINC001033005325 780528498 /nfs/dbraw/zinc/52/84/98/780528498.db2.gz QVHLVYQSURPXQS-ZDUSSCGKSA-N 0 1 266.360 2.503 20 30 CFEDMN C=C(C)CN1CC[C@@H](N(C)C(=O)c2cc(F)ccc2F)C1 ZINC001033149496 780582172 /nfs/dbraw/zinc/58/21/72/780582172.db2.gz LGVOEFQDMMBSED-CYBMUJFWSA-N 0 1 294.345 2.687 20 30 CFEDMN Cc1ccc(-c2nc3c(cc2C#N)COCC3)c(O)c1 ZINC001241035811 780606812 /nfs/dbraw/zinc/60/68/12/780606812.db2.gz JAOJEIYKPOBHTP-UHFFFAOYSA-N 0 1 266.300 2.707 20 30 CFEDMN C=CCN1CC[C@@H](N(C)C(=O)c2cc(C)c(F)cc2F)C1 ZINC001033184991 780608805 /nfs/dbraw/zinc/60/88/05/780608805.db2.gz FPVLLMVBGQEVMH-GFCCVEGCSA-N 0 1 294.345 2.606 20 30 CFEDMN C=CCN1CC[C@@H](N(C)C(=O)[C@@H]2CC[C@@H]3C[C@@H]3CC2)C1 ZINC001033293574 780643105 /nfs/dbraw/zinc/64/31/05/780643105.db2.gz YOHOQBFCMMEXFV-LVQVYYBASA-N 0 1 276.424 2.531 20 30 CFEDMN C=CCN1CC[C@@H](N(C)C(=O)[C@@H]2CCCC2(C)C)C1 ZINC001033338586 780660423 /nfs/dbraw/zinc/66/04/23/780660423.db2.gz FZYPTSHZIHNEGY-KGLIPLIRSA-N 0 1 264.413 2.531 20 30 CFEDMN COc1ccc(F)c(-c2cc3nc[nH]c3c(C#N)n2)c1F ZINC001241138906 780662041 /nfs/dbraw/zinc/66/20/41/780662041.db2.gz XNKXDKNBDNFYNS-UHFFFAOYSA-N 0 1 286.241 2.783 20 30 CFEDMN C=CCN1CC[C@H](N(C)C(=O)c2coc(C(F)F)c2)C1 ZINC001033368877 780667356 /nfs/dbraw/zinc/66/73/56/780667356.db2.gz PACHJMVSTZMXEF-NSHDSACASA-N 0 1 284.306 2.550 20 30 CFEDMN C=CCN1CC[C@H](N(C)C(=O)c2ccc(C)c(F)c2F)C1 ZINC001033439867 780681360 /nfs/dbraw/zinc/68/13/60/780681360.db2.gz BKINTPIKOMNPFN-LBPRGKRZSA-N 0 1 294.345 2.606 20 30 CFEDMN C=CCN1CC[C@@H](N(C)C(=O)[C@@H]2C[C@H]2c2cccc(C)c2)C1 ZINC001033502354 780695584 /nfs/dbraw/zinc/69/55/84/780695584.db2.gz OKUJTEVZEAHTFG-FGTMMUONSA-N 0 1 298.430 2.817 20 30 CFEDMN CN(C)Cc1cccc(-c2ccnc(C#N)c2)c1F ZINC001241200334 780701173 /nfs/dbraw/zinc/70/11/73/780701173.db2.gz WASOSAPVDXUWNB-UHFFFAOYSA-N 0 1 255.296 2.821 20 30 CFEDMN C#CCN1CC[C@H](N(C)C(=O)[C@H]2CC[C@H](C(C)C)CC2)C1 ZINC001033533729 780706681 /nfs/dbraw/zinc/70/66/81/780706681.db2.gz VRZGEMTUKIQXDV-ULQDDVLXSA-N 0 1 290.451 2.615 20 30 CFEDMN C=CCN1CC[C@H](N(C)C(=O)[C@H](C)C2CCCC2)C1 ZINC001033574995 780716497 /nfs/dbraw/zinc/71/64/97/780716497.db2.gz OKUKRHYOFXXHNF-HIFRSBDPSA-N 0 1 264.413 2.531 20 30 CFEDMN C=CCN1CC[C@@H](N(C)C(=O)[C@@H](C)c2ccc(C)cc2)C1 ZINC001033590144 780721732 /nfs/dbraw/zinc/72/17/32/780721732.db2.gz NRAUMAPQCIRFLB-DOTOQJQBSA-N 0 1 286.419 2.817 20 30 CFEDMN CC#CCN1CC[C@H](N(C)C(=O)c2ccc(C(C)C)cc2)C1 ZINC001033615139 780730806 /nfs/dbraw/zinc/73/08/06/780730806.db2.gz XADCSTPZPQCTCU-SFHVURJKSA-N 0 1 298.430 2.980 20 30 CFEDMN C#CCN1CC[C@H](N(C)C(=O)c2ccc(C(C)C)cc2)C1 ZINC001033608124 780730877 /nfs/dbraw/zinc/73/08/77/780730877.db2.gz CLAPHYHXFJDHLO-KRWDZBQOSA-N 0 1 284.403 2.590 20 30 CFEDMN C=C(C)CN1CC[C@@H](N(C)C(=O)c2ccc(C(F)F)o2)C1 ZINC001033620651 780732645 /nfs/dbraw/zinc/73/26/45/780732645.db2.gz UMLVBIQGMRPYOO-LLVKDONJSA-N 0 1 298.333 2.940 20 30 CFEDMN C=CCN1CC[C@@H](N(C)C(=O)c2ccc(F)cc2Cl)C1 ZINC001033634142 780736731 /nfs/dbraw/zinc/73/67/31/780736731.db2.gz IONQUPIVEWUGEI-GFCCVEGCSA-N 0 1 296.773 2.811 20 30 CFEDMN N#Cc1cc(-c2cc(O)cc(F)c2)nc(C2CC2)n1 ZINC001241267433 780745068 /nfs/dbraw/zinc/74/50/68/780745068.db2.gz VMBTYOGBICWEFH-UHFFFAOYSA-N 0 1 255.252 2.737 20 30 CFEDMN C=CCN1CC[C@H](N(C)C(=O)[C@H](C)c2ccccc2C)C1 ZINC001033682341 780749382 /nfs/dbraw/zinc/74/93/82/780749382.db2.gz BTTMLMSQUQAOAO-CVEARBPZSA-N 0 1 286.419 2.817 20 30 CFEDMN CC#CCN1CC[C@@H](N(C)C(=O)[C@H]2CCCC(C)(C)C2)C1 ZINC001033697460 780751782 /nfs/dbraw/zinc/75/17/82/780751782.db2.gz VVAUQXOJZFQHHY-JKSUJKDBSA-N 0 1 290.451 2.759 20 30 CFEDMN C#CCN1CC[C@@H](N(C)C(=O)c2ccccc2CC(C)C)C1 ZINC001033697359 780752203 /nfs/dbraw/zinc/75/22/03/780752203.db2.gz CWAXRCKBIGJYDJ-QGZVFWFLSA-N 0 1 298.430 2.665 20 30 CFEDMN C=CCN1CC[C@@H](N(CC)C(=O)c2ccc(F)cc2)C1 ZINC001033729291 780765489 /nfs/dbraw/zinc/76/54/89/780765489.db2.gz WXGUOFWXBTWYCX-OAHLLOKOSA-N 0 1 276.355 2.548 20 30 CFEDMN C=CCN1CC[C@H](N(CC)C(=O)c2cc(F)ccc2F)C1 ZINC001033859247 780808560 /nfs/dbraw/zinc/80/85/60/780808560.db2.gz STYATJAZIVXLHP-ZDUSSCGKSA-N 0 1 294.345 2.687 20 30 CFEDMN C=CCN1CC[C@@H](N(CC)C(=O)[C@@H]2CCC(F)(F)C2)C1 ZINC001033858400 780809097 /nfs/dbraw/zinc/80/90/97/780809097.db2.gz VUCIEBINCMCZQA-CHWSQXEVSA-N 0 1 286.366 2.531 20 30 CFEDMN C=CCN1CC[C@H](N(CC)C(=O)c2cc(C(C)C)on2)C1 ZINC001033917454 780827192 /nfs/dbraw/zinc/82/71/92/780827192.db2.gz SXWFIVNFIFTFLA-ZDUSSCGKSA-N 0 1 291.395 2.520 20 30 CFEDMN C=CC[N@@H+]1CC[C@H](N(CC)C(=O)[C@H]2CCCC2(C)C)C1 ZINC001033928644 780827847 /nfs/dbraw/zinc/82/78/47/780827847.db2.gz FFLKWIWFUAWQIL-LSDHHAIUSA-N 0 1 278.440 2.922 20 30 CFEDMN C=CCN1CC[C@H](N(CC)C(=O)[C@H]2CCCC2(C)C)C1 ZINC001033928644 780827855 /nfs/dbraw/zinc/82/78/55/780827855.db2.gz FFLKWIWFUAWQIL-LSDHHAIUSA-N 0 1 278.440 2.922 20 30 CFEDMN C=CCN1CC[C@@H](N(CC)C(=O)c2ccc(C)cc2)C1 ZINC001034023883 780862777 /nfs/dbraw/zinc/86/27/77/780862777.db2.gz WYNRDUSOMNMEHG-MRXNPFEDSA-N 0 1 272.392 2.717 20 30 CFEDMN C=CCN1CCCC[C@H](NC(=O)c2ccc(C)s2)C1 ZINC001034082576 780881851 /nfs/dbraw/zinc/88/18/51/780881851.db2.gz KKNBYRCYIHHUNP-ZDUSSCGKSA-N 0 1 278.421 2.827 20 30 CFEDMN CC(C)C(=O)N[C@H]1CCCCN(Cc2cccc(C#N)c2)C1 ZINC001034107893 780895406 /nfs/dbraw/zinc/89/54/06/780895406.db2.gz BGRKJHAEHSEPOV-KRWDZBQOSA-N 0 1 299.418 2.685 20 30 CFEDMN CC#CCN1CCCC[C@H](NC(=O)C=C2CCCCC2)C1 ZINC001034126958 780901570 /nfs/dbraw/zinc/90/15/70/780901570.db2.gz GDNYZPMMIGBHNM-KRWDZBQOSA-N 0 1 288.435 2.871 20 30 CFEDMN C=CCN1CCCC[C@@H](NC(=O)c2ccsc2C)C1 ZINC001034192561 780918948 /nfs/dbraw/zinc/91/89/48/780918948.db2.gz PJSBZKGTWPFXKP-CYBMUJFWSA-N 0 1 278.421 2.827 20 30 CFEDMN C[S@@](=O)c1ccc(-c2nccc3[nH]cc(C#N)c32)cc1 ZINC001241478583 780929664 /nfs/dbraw/zinc/92/96/64/780929664.db2.gz DHSDJQKSWYDRRI-HXUWFJFHSA-N 0 1 281.340 2.839 20 30 CFEDMN CC#CCN1CCCC[C@H](NC(=O)C23CCC(CC2)C3)C1 ZINC001034275271 780936483 /nfs/dbraw/zinc/93/64/83/780936483.db2.gz BRJNGSRYLCJEQB-PQUAAJSLSA-N 0 1 288.435 2.561 20 30 CFEDMN CC#CCN1CCCC[C@H](NC(=O)[C@H]2CCCC23CC3)C1 ZINC001034273999 780936554 /nfs/dbraw/zinc/93/65/54/780936554.db2.gz SQVQJZVJUSLJLH-JKSUJKDBSA-N 0 1 288.435 2.561 20 30 CFEDMN C=CCN1CCCC[C@H](NC(=O)c2cc(OC)cs2)C1 ZINC001034342979 780952489 /nfs/dbraw/zinc/95/24/89/780952489.db2.gz VCJSFFWXDBHAEG-LBPRGKRZSA-N 0 1 294.420 2.527 20 30 CFEDMN CC#CCN1CCCC[C@H](NC(=O)c2ccccc2CC)C1 ZINC001034370812 780955176 /nfs/dbraw/zinc/95/51/76/780955176.db2.gz ZEVZBBAUVCEXMG-KRWDZBQOSA-N 0 1 298.430 2.857 20 30 CFEDMN CC#CC[N@H+]1CCCC[C@H](NC(=O)C2(C)CCCCC2)C1 ZINC001034377227 780961395 /nfs/dbraw/zinc/96/13/95/780961395.db2.gz JPUWGKVLXGHJCS-INIZCTEOSA-N 0 1 290.451 2.951 20 30 CFEDMN CC#CCN1CCCC[C@H](NC(=O)C2(C)CCCCC2)C1 ZINC001034377227 780961397 /nfs/dbraw/zinc/96/13/97/780961397.db2.gz JPUWGKVLXGHJCS-INIZCTEOSA-N 0 1 290.451 2.951 20 30 CFEDMN C=CCN1CCCC[C@H](NC(=O)[C@@H](F)c2ccccc2)C1 ZINC001034424527 780967819 /nfs/dbraw/zinc/96/78/19/780967819.db2.gz NDWGTAOWFOBPTC-HOTGVXAUSA-N 0 1 290.382 2.854 20 30 CFEDMN C#CCN1CCCC[C@@H](NC(=O)[C@@H](C)c2ccc(C)cc2)C1 ZINC001034501186 780987275 /nfs/dbraw/zinc/98/72/75/780987275.db2.gz KZTUAVVMCHAXGT-FUHWJXTLSA-N 0 1 298.430 2.702 20 30 CFEDMN C=CCN1CCCC[C@H](NC(=O)c2sc(C)nc2C)C1 ZINC001034519289 780993050 /nfs/dbraw/zinc/99/30/50/780993050.db2.gz CCPPJPGRWRVSKL-ZDUSSCGKSA-N 0 1 293.436 2.530 20 30 CFEDMN C#CCN1CCCC[C@@H](NC(=O)[C@H]2CCCC(C)(C)C2)C1 ZINC001034546873 780996987 /nfs/dbraw/zinc/99/69/87/780996987.db2.gz MWMFVSHNNLFCCG-JKSUJKDBSA-N 0 1 290.451 2.807 20 30 CFEDMN Cc1[nH]nc2cc(-c3ncnc4[nH]cc(C#N)c43)ccc12 ZINC001241636846 781035881 /nfs/dbraw/zinc/03/58/81/781035881.db2.gz HNRFBEISMPMNQL-UHFFFAOYSA-N 0 1 274.287 2.681 20 30 CFEDMN C=CC[C@@H]1CC[N@H+](Cc2ccccc2CC(=O)[O-])C1 ZINC000703688660 781048776 /nfs/dbraw/zinc/04/87/76/781048776.db2.gz PAOIHLQLXBPOLT-CYBMUJFWSA-N 0 1 259.349 2.712 20 30 CFEDMN COc1cc(-c2nccc3[nH]cc(C#N)c32)c(F)cn1 ZINC001241661878 781053806 /nfs/dbraw/zinc/05/38/06/781053806.db2.gz SWPDCLZJBJWCGT-UHFFFAOYSA-N 0 1 268.251 2.644 20 30 CFEDMN N#Cc1c[nH]c2nc(-c3ccc4[nH]cnc4c3)ccc12 ZINC001241688665 781073531 /nfs/dbraw/zinc/07/35/31/781073531.db2.gz ZRNMWXXEDUXIRS-UHFFFAOYSA-N 0 1 259.272 2.978 20 30 CFEDMN C=C(Cl)CN1CCC2(C1)CCN(C(=O)CCC)CC2 ZINC001035148186 781114693 /nfs/dbraw/zinc/11/46/93/781114693.db2.gz AEOZGGWCOJDIKG-UHFFFAOYSA-N 0 1 284.831 2.854 20 30 CFEDMN C=C(Cl)CN1CCC2(C1)CCN(C(=O)C1(C)CC1)CC2 ZINC001035190514 781127945 /nfs/dbraw/zinc/12/79/45/781127945.db2.gz DRIVDYUJAZOARK-UHFFFAOYSA-N 0 1 296.842 2.854 20 30 CFEDMN C=CCN1CC2(C1)CCN(C(=O)[C@@H]1CCC[C@@H](F)C1)CC2 ZINC001035707715 781160101 /nfs/dbraw/zinc/16/01/01/781160101.db2.gz QMZMDTQELFYHNI-HUUCEWRRSA-N 0 1 294.414 2.625 20 30 CFEDMN C=CCN1CC2(C1)CCN(C(=O)[C@H]1CCC[C@@H](F)C1)CC2 ZINC001035707719 781160357 /nfs/dbraw/zinc/16/03/57/781160357.db2.gz QMZMDTQELFYHNI-LSDHHAIUSA-N 0 1 294.414 2.625 20 30 CFEDMN C=CCN1CC2(C1)CCN(C(=O)C13CCC(CC1)C3)CC2 ZINC001035732558 781161947 /nfs/dbraw/zinc/16/19/47/781161947.db2.gz FSEHYRNEZNEWDR-UHFFFAOYSA-N 0 1 288.435 2.677 20 30 CFEDMN C=CCN1CC2(C1)CCN(C(=O)C1(F)CCCCC1)CC2 ZINC001035828534 781175516 /nfs/dbraw/zinc/17/55/16/781175516.db2.gz QEECWLZIGBXABN-UHFFFAOYSA-N 0 1 294.414 2.769 20 30 CFEDMN N#CC1(c2ccc(-c3ccc4[nH]nnc4c3)nc2)CCC1 ZINC001241938644 781192267 /nfs/dbraw/zinc/19/22/67/781192267.db2.gz TWPIAPIAHHWDRR-UHFFFAOYSA-N 0 1 275.315 2.965 20 30 CFEDMN N#CC1(c2ccc(-c3ccc4nn[nH]c4c3)nc2)CCC1 ZINC001241938644 781192270 /nfs/dbraw/zinc/19/22/70/781192270.db2.gz TWPIAPIAHHWDRR-UHFFFAOYSA-N 0 1 275.315 2.965 20 30 CFEDMN C#C[C@@H](CC)[NH2+]Cc1c([O-])cccc1Br ZINC000706829260 781205026 /nfs/dbraw/zinc/20/50/26/781205026.db2.gz USZJYEBTSVGUSR-VIFPVBQESA-N 0 1 268.154 2.656 20 30 CFEDMN C#C[C@H]([NH2+]Cc1c([O-])cccc1Br)C(C)C ZINC000706843263 781208744 /nfs/dbraw/zinc/20/87/44/781208744.db2.gz PNWAIVIUPLVEFL-LBPRGKRZSA-N 0 1 282.181 2.902 20 30 CFEDMN C=C(Cl)CN1CC[C@H]2CN(C(=O)c3ccco3)CC[C@@H]21 ZINC001036625950 781319904 /nfs/dbraw/zinc/31/99/04/781319904.db2.gz ONPSJTDHRLNLAS-STQMWFEESA-N 0 1 294.782 2.569 20 30 CFEDMN C=C(Cl)CN1CC[C@H]2CN(C(=O)c3ccco3)CC[C@H]21 ZINC001036625949 781320156 /nfs/dbraw/zinc/32/01/56/781320156.db2.gz ONPSJTDHRLNLAS-QWHCGFSZSA-N 0 1 294.782 2.569 20 30 CFEDMN C=CCNC(=O)c1ccc(-c2ccc(F)cc2O)nc1 ZINC001242218531 781333304 /nfs/dbraw/zinc/33/33/04/781333304.db2.gz YWZBVNKXQKTCPZ-UHFFFAOYSA-N 0 1 272.279 2.509 20 30 CFEDMN C=C(Cl)CN1CC[C@H]2CN(C(=O)CC(C)C)CC[C@H]21 ZINC001036627285 781346420 /nfs/dbraw/zinc/34/64/20/781346420.db2.gz KGDYGKGQIKWZIQ-UONOGXRCSA-N 0 1 284.831 2.708 20 30 CFEDMN CN1CCc2c(F)cc(-c3cncc(C#N)c3)cc2C1 ZINC001242276238 781359021 /nfs/dbraw/zinc/35/90/21/781359021.db2.gz QTXFSIYAAJVDKJ-UHFFFAOYSA-N 0 1 267.307 2.747 20 30 CFEDMN CN(C)Cc1cccc(-c2cncc(C#N)c2)c1F ZINC001242275594 781359635 /nfs/dbraw/zinc/35/96/35/781359635.db2.gz PBUVMQDMELSXKD-UHFFFAOYSA-N 0 1 255.296 2.821 20 30 CFEDMN COc1cccc(-c2cc3[nH]nnc3cc2F)c1C#N ZINC001242298119 781379041 /nfs/dbraw/zinc/37/90/41/781379041.db2.gz IDENZAFJSYXCRK-UHFFFAOYSA-N 0 1 268.251 2.644 20 30 CFEDMN CN(C)Cc1ccc(-c2cccnc2C#N)cc1F ZINC001242313257 781391002 /nfs/dbraw/zinc/39/10/02/781391002.db2.gz YUOSRMJFKFXJRP-UHFFFAOYSA-N 0 1 255.296 2.821 20 30 CFEDMN CN1CCN(c2ccc(C3=CC(=O)CC(C)(C)C3)nc2)CC1 ZINC001242317990 781396064 /nfs/dbraw/zinc/39/60/64/781396064.db2.gz KGDWULYDAMBCBE-UHFFFAOYSA-N 0 1 299.418 2.606 20 30 CFEDMN Cc1cc(-c2nc[nH]c3nc(=S)sc2-3)cnc1C#N ZINC001242354554 781429325 /nfs/dbraw/zinc/42/93/25/781429325.db2.gz GZBRARYFYGEBDH-UHFFFAOYSA-N 0 1 285.357 2.617 20 30 CFEDMN CC(C)n1cc(-c2nccc3[nH]cc(C#N)c32)cn1 ZINC001242436460 781501824 /nfs/dbraw/zinc/50/18/24/781501824.db2.gz JNZFMKZTPFRMSY-UHFFFAOYSA-N 0 1 251.293 2.879 20 30 CFEDMN N#Cc1c[nH]c2ccnc(-c3cccc4c3OCCO4)c12 ZINC001242467496 781522034 /nfs/dbraw/zinc/52/20/34/781522034.db2.gz INPPHIZTVNXWSB-UHFFFAOYSA-N 0 1 277.283 2.873 20 30 CFEDMN COc1ccc2cnc(-c3ccc(O)c(C#N)c3)nc2c1 ZINC001242562725 781601485 /nfs/dbraw/zinc/60/14/85/781601485.db2.gz JIAQQYVBMFCYML-UHFFFAOYSA-N 0 1 277.283 2.883 20 30 CFEDMN N#Cc1cc(-c2ccc3[nH]cc(C[NH3+])c3c2)ccc1[O-] ZINC001242565736 781604879 /nfs/dbraw/zinc/60/48/79/781604879.db2.gz BIQYAEHWEKIJED-UHFFFAOYSA-N 0 1 263.300 2.871 20 30 CFEDMN C=C(C)CN1C[C@@H](C)[C@H](NC(=O)c2sccc2F)C1 ZINC001079659910 781614369 /nfs/dbraw/zinc/61/43/69/781614369.db2.gz QSGLDQJOUUDKDD-ZYHUDNBSSA-N 0 1 282.384 2.513 20 30 CFEDMN C=CCN1C[C@@H](C)[C@H](NC(=O)c2sc(C)cc2C)C1 ZINC001079772773 781621345 /nfs/dbraw/zinc/62/13/45/781621345.db2.gz HIOYRDXTPCKDRG-DGCLKSJQSA-N 0 1 278.421 2.601 20 30 CFEDMN C#CCN1C[C@@H](C)[C@H](NC(=O)c2ccc(C3CCC3)cc2)C1 ZINC001079808891 781621612 /nfs/dbraw/zinc/62/16/12/781621612.db2.gz HFZPHEFKTCWBLN-RDTXWAMCSA-N 0 1 296.414 2.637 20 30 CFEDMN C=CCN1C[C@@H](C)[C@H](NC(=O)c2cc(F)ccc2CC)C1 ZINC001080039875 781633544 /nfs/dbraw/zinc/63/35/44/781633544.db2.gz POKYLBBCIUYOIQ-MLGOLLRUSA-N 0 1 290.382 2.624 20 30 CFEDMN CC#CCN1C[C@@H](C)[C@H](NC(=O)c2cccc(C(C)C)c2)C1 ZINC001080719329 781677387 /nfs/dbraw/zinc/67/73/87/781677387.db2.gz ZSUDUSJTVGVTFU-CRAIPNDOSA-N 0 1 298.430 2.883 20 30 CFEDMN C#CCN1C[C@@H](C)[C@H](NC(=O)c2ccc(C(C)(C)C)cc2)C1 ZINC001080829605 781681574 /nfs/dbraw/zinc/68/15/74/781681574.db2.gz JLKOYZSYAYZZEH-RHSMWYFYSA-N 0 1 298.430 2.667 20 30 CFEDMN C=CCN1C[C@@H](C)[C@H](NC(=O)c2oc3ccccc3c2C)C1 ZINC001080893692 781682057 /nfs/dbraw/zinc/68/20/57/781682057.db2.gz GQFBFYLXLJAQKZ-IUODEOHRSA-N 0 1 298.386 2.977 20 30 CFEDMN CC#CCN1C[C@@H](C)[C@H](NC(=O)C2(C)CCC(C)CC2)C1 ZINC001081020094 781695969 /nfs/dbraw/zinc/69/59/69/781695969.db2.gz QUHCLUNTXJJBDN-GARNVTTQSA-N 0 1 290.451 2.663 20 30 CFEDMN C=C(Cl)CN[C@@H]1CN(C(=O)[C@@]2(C)C=CCC2)C[C@H]1C ZINC001082690810 781739753 /nfs/dbraw/zinc/73/97/53/781739753.db2.gz KNFVOJSZFGGORW-KYOSRNDESA-N 0 1 282.815 2.532 20 30 CFEDMN Cc1cc(-c2cccc(N3CCN(C)CC3)n2)ccc1C#N ZINC001242765392 781749710 /nfs/dbraw/zinc/74/97/10/781749710.db2.gz IWPFFGPMBPQYPG-UHFFFAOYSA-N 0 1 292.386 2.681 20 30 CFEDMN CC#CCN1CC[C@@H]2CN(C(=O)CC3CCCCC3)[C@@H]2C1 ZINC001084174011 781777640 /nfs/dbraw/zinc/77/76/40/781777640.db2.gz JAMKTDSHMFLFLO-IAGOWNOFSA-N 0 1 288.435 2.513 20 30 CFEDMN C=CCN1CC[C@@H]2CN(C(=O)c3c(C)oc(C)c3C)[C@@H]2C1 ZINC001084501181 781799262 /nfs/dbraw/zinc/79/92/62/781799262.db2.gz WJCKSAYPIJGGCI-HUUCEWRRSA-N 0 1 288.391 2.537 20 30 CFEDMN C=C(C)CN1CC[C@@H]2CN(C(=O)C3(C4CC4)CCC3)[C@@H]2C1 ZINC001084551535 781800982 /nfs/dbraw/zinc/80/09/82/781800982.db2.gz ZTAGLURIEZPBCP-GDBMZVCRSA-N 0 1 288.435 2.676 20 30 CFEDMN C=CCN1CC[C@@H]2CN(C(=O)C(C)(C)C3CCC3)[C@@H]2C1 ZINC001084551838 781801553 /nfs/dbraw/zinc/80/15/53/781801553.db2.gz GVQRPZSJIJJMCC-UKRRQHHQSA-N 0 1 276.424 2.531 20 30 CFEDMN C#CCN1CC(C)(C)CC[C@@H]1CNC(=O)CC(C)(C)C ZINC001098909962 781820563 /nfs/dbraw/zinc/82/05/63/781820563.db2.gz HLOYLACETSSHHU-CQSZACIVSA-N 0 1 278.440 2.663 20 30 CFEDMN CC#CCN1CC(C)(C)CC[C@H]1CNC(=O)CCCC ZINC001098910718 781825664 /nfs/dbraw/zinc/82/56/64/781825664.db2.gz NUKWCARWWUVVJG-HNNXBMFYSA-N 0 1 278.440 2.807 20 30 CFEDMN C=CCN1C[C@@]2(CC1=O)CCCCN2Cc1ccc(C)cn1 ZINC001273231157 781832290 /nfs/dbraw/zinc/83/22/90/781832290.db2.gz MFEQNLYKFPSQIS-SFHVURJKSA-N 0 1 299.418 2.533 20 30 CFEDMN C=CCN1CC[C@@H]2CN(C(=O)[C@@]3(C)CC=C(C)CC3)[C@@H]2C1 ZINC001084845688 781847701 /nfs/dbraw/zinc/84/77/01/781847701.db2.gz CLPMZVWWRSXDEG-NUJGCVRESA-N 0 1 288.435 2.842 20 30 CFEDMN C=CCCC(=O)[C@H]1CCCN1C(=O)c1cccc2[nH]cnc21 ZINC000820449535 781869383 /nfs/dbraw/zinc/86/93/83/781869383.db2.gz VLSGQIKAKAGGEH-CQSZACIVSA-N 0 1 297.358 2.703 20 30 CFEDMN CCCCCCC[N@H+]1CC[C@H]1CN(C)C(=O)[C@@H](C)OCC ZINC001230855049 781875227 /nfs/dbraw/zinc/87/52/27/781875227.db2.gz GXVGPGNFILOFEZ-CVEARBPZSA-N 0 1 298.471 2.915 20 30 CFEDMN CC[C@@H]([NH2+]C[C@H]1CCN(C2CC2)C1)c1cccc(C#N)c1[O-] ZINC000822658688 781906626 /nfs/dbraw/zinc/90/66/26/781906626.db2.gz QGOSUIWHDLKOIV-CXAGYDPISA-N 0 1 299.418 2.789 20 30 CFEDMN CC(C)(C#N)c1ccc(CNCc2n[nH]c(C3CC3)n2)cc1 ZINC000594510000 349434672 /nfs/dbraw/zinc/43/46/72/349434672.db2.gz ZPMYRTMIFJVCLR-UHFFFAOYSA-N 0 1 295.390 2.773 20 30 CFEDMN Cc1cc(CNCc2ccc(C(C)(C)C#N)cc2)[nH]n1 ZINC000594510218 349435767 /nfs/dbraw/zinc/43/57/67/349435767.db2.gz BBCZSNWVILYFNM-UHFFFAOYSA-N 0 1 268.364 2.809 20 30 CFEDMN N#CCC1CN(CCC(=O)Nc2cccc(Cl)c2)C1 ZINC000594716129 349479149 /nfs/dbraw/zinc/47/91/49/349479149.db2.gz JPHFXXLPPSOOFF-UHFFFAOYSA-N 0 1 277.755 2.514 20 30 CFEDMN CC(C)(C)c1n[nH]c(SCC2(CC#N)CC2)n1 ZINC000594886189 349493777 /nfs/dbraw/zinc/49/37/77/349493777.db2.gz SYOUAXBAPGHYFF-UHFFFAOYSA-N 0 1 250.371 2.888 20 30 CFEDMN CC(C)(C)c1nc(SCC2(CC#N)CC2)n[nH]1 ZINC000594886189 349493781 /nfs/dbraw/zinc/49/37/81/349493781.db2.gz SYOUAXBAPGHYFF-UHFFFAOYSA-N 0 1 250.371 2.888 20 30 CFEDMN C[C@H](NCc1cnn2c1CCC2)c1ccc(C#N)cc1 ZINC000594915140 349505306 /nfs/dbraw/zinc/50/53/06/349505306.db2.gz OVPCSTUXXXFWKZ-LBPRGKRZSA-N 0 1 266.348 2.552 20 30 CFEDMN Cc1c(CNC(C)(C)c2cccc(C#N)c2)cnn1C ZINC000594968609 349535277 /nfs/dbraw/zinc/53/52/77/349535277.db2.gz KDKPQTWQUAPPHH-UHFFFAOYSA-N 0 1 268.364 2.625 20 30 CFEDMN C[C@H](COc1c(F)cccc1F)NCc1ccc(C#N)o1 ZINC000594973604 349535933 /nfs/dbraw/zinc/53/59/33/349535933.db2.gz NJDQJOUIRCNBFV-SNVBAGLBSA-N 0 1 292.285 2.987 20 30 CFEDMN C=C[C@@H](C)N[C@@H](C)c1ccc([N+](=O)[O-])cc1OC ZINC000595023524 349553902 /nfs/dbraw/zinc/55/39/02/349553902.db2.gz ZXCSISSMQOZDAQ-ZJUUUORDSA-N 0 1 250.298 2.829 20 30 CFEDMN CO[C@H](CNCc1nc(C#N)cs1)C1CCCCC1 ZINC000594994473 349542123 /nfs/dbraw/zinc/54/21/23/349542123.db2.gz GBYXKYDNVNLSCP-CYBMUJFWSA-N 0 1 279.409 2.700 20 30 CFEDMN COc1cccc(OC)c1CN[C@H]1CCC[C@@H](C#N)C1 ZINC000595074670 349575452 /nfs/dbraw/zinc/57/54/52/349575452.db2.gz SUIPSTKAKLZVCF-OLZOCXBDSA-N 0 1 274.364 2.876 20 30 CFEDMN COc1cccc(OC)c1CN[C@H]1CCC[C@H](C#N)C1 ZINC000595074672 349575541 /nfs/dbraw/zinc/57/55/41/349575541.db2.gz SUIPSTKAKLZVCF-STQMWFEESA-N 0 1 274.364 2.876 20 30 CFEDMN CC(C)CN(Cc1cn(C)cn1)Cc1ccc(C#N)cc1 ZINC000595296793 349594807 /nfs/dbraw/zinc/59/48/07/349594807.db2.gz KTNIZKGCIUTEPE-UHFFFAOYSA-N 0 1 282.391 2.950 20 30 CFEDMN CC[C@@H]1CN(Cc2cc(C#N)ccc2OC)CCS1 ZINC000154155841 529396300 /nfs/dbraw/zinc/39/63/00/529396300.db2.gz ICBCBQNUIULOOU-CQSZACIVSA-N 0 1 276.405 2.894 20 30 CFEDMN CC(C)(C)[C@@H]1CN(CCc2ccc(C#N)cc2)CCO1 ZINC000595469208 349636577 /nfs/dbraw/zinc/63/65/77/349636577.db2.gz VNKWFXXCENZMJG-INIZCTEOSA-N 0 1 272.392 2.848 20 30 CFEDMN N#Cc1ccc(CCN2CCOc3cc(O)ccc3C2)cc1 ZINC000595482848 349639298 /nfs/dbraw/zinc/63/92/98/349639298.db2.gz KWQRDDCZXKHTKX-UHFFFAOYSA-N 0 1 294.354 2.701 20 30 CFEDMN CN(Cc1ccc(C#N)cc1F)[C@H](CO)Cc1ccccc1 ZINC000595599560 349669781 /nfs/dbraw/zinc/66/97/81/349669781.db2.gz YLOCPWCFZLQQAE-KRWDZBQOSA-N 0 1 298.361 2.733 20 30 CFEDMN COc1ccc(C#N)cc1C[N@H+]1C[C@@H]2CCCC[C@@H]21 ZINC000595567475 349662244 /nfs/dbraw/zinc/66/22/44/349662244.db2.gz PBHLDQDRCCKDGS-ZFWWWQNUSA-N 0 1 256.349 2.941 20 30 CFEDMN COc1ccc(C#N)cc1CN1C[C@@H]2CCCC[C@@H]21 ZINC000595567475 349662246 /nfs/dbraw/zinc/66/22/46/349662246.db2.gz PBHLDQDRCCKDGS-ZFWWWQNUSA-N 0 1 256.349 2.941 20 30 CFEDMN CN(Cc1cnc[nH]1)Cc1ccc(C#N)cc1C(F)(F)F ZINC000595591457 349667153 /nfs/dbraw/zinc/66/71/53/349667153.db2.gz IDELGQMBWMBVJU-UHFFFAOYSA-N 0 1 294.280 2.932 20 30 CFEDMN C[C@@H](C(=O)N(C)Cc1ccccc1)N1CCC[C@@H](CC#N)C1 ZINC000595611126 349675112 /nfs/dbraw/zinc/67/51/12/349675112.db2.gz HFILNQBTEKKECY-RDJZCZTQSA-N 0 1 299.418 2.659 20 30 CFEDMN N#CC[C@@H]1CCCN(CCOc2ccccc2C#N)C1 ZINC000595614325 349677621 /nfs/dbraw/zinc/67/76/21/349677621.db2.gz KGUJHVOLGHJCDZ-AWEZNQCLSA-N 0 1 269.348 2.563 20 30 CFEDMN N#CC[C@@H]1CCCN(Cc2cccc3c2OCCO3)C1 ZINC000595617393 349678420 /nfs/dbraw/zinc/67/84/20/349678420.db2.gz ZMRBMZXFQHBCIJ-ZDUSSCGKSA-N 0 1 272.348 2.583 20 30 CFEDMN N#CC[C@H]1CCCN(CCOCC(F)(F)C(F)F)C1 ZINC000595622655 349680867 /nfs/dbraw/zinc/68/08/67/349680867.db2.gz CEQXFIHEZGZVFS-SNVBAGLBSA-N 0 1 282.281 2.529 20 30 CFEDMN N#Cc1sccc1N1CCN(CCC2CC2)CC1 ZINC000595629714 349682494 /nfs/dbraw/zinc/68/24/94/349682494.db2.gz JIHQVEMESPFUQS-UHFFFAOYSA-N 0 1 261.394 2.542 20 30 CFEDMN CC(C)[C@@](C)(C#N)NC(=O)[C@@H](C)N1CCC[C@H](CCF)C1 ZINC000595755030 349724301 /nfs/dbraw/zinc/72/43/01/349724301.db2.gz FGVBULCOEDZIJN-IIAWOOMASA-N 0 1 297.418 2.501 20 30 CFEDMN C[C@@H]1CCCN(Cc2cc(F)ccc2C#N)[C@H]1CCO ZINC000595701097 349709642 /nfs/dbraw/zinc/70/96/42/349709642.db2.gz PQMGYPYVXXKLDC-WBMJQRKESA-N 0 1 276.355 2.680 20 30 CFEDMN CC[C@H](C(=O)N(CC)CCC#N)N(C)Cc1ccccc1 ZINC000354888427 529591403 /nfs/dbraw/zinc/59/14/03/529591403.db2.gz WUJPQMPCOVLOHL-MRXNPFEDSA-N 0 1 287.407 2.659 20 30 CFEDMN C=CCN(CC(=O)Nc1cccc(C#N)c1)C(C)(C)C ZINC000595764499 349727088 /nfs/dbraw/zinc/72/70/88/349727088.db2.gz CGHAMEVZDSLIKD-UHFFFAOYSA-N 0 1 271.364 2.783 20 30 CFEDMN C[C@@H]1CCN(Cc2ccc(C#N)s2)C[C@H](C)O1 ZINC000595779766 349730803 /nfs/dbraw/zinc/73/08/03/349730803.db2.gz HWADOVHFJAPNCO-MNOVXSKESA-N 0 1 250.367 2.619 20 30 CFEDMN Cc1cc(-n2ccnc2)ccc1CN1CC[C@](C)(C#N)C1 ZINC000595842539 349753040 /nfs/dbraw/zinc/75/30/40/349753040.db2.gz FKPWQDOYFQFQDK-QGZVFWFLSA-N 0 1 280.375 2.916 20 30 CFEDMN C=C1C[C@H]2CC[C@@H](C1)N2[C@H](C)C(=O)OC(C)(C)C ZINC000595845577 349754209 /nfs/dbraw/zinc/75/42/09/349754209.db2.gz QSVSAVIGQDKZCY-UPJWGTAASA-N 0 1 251.370 2.900 20 30 CFEDMN CC(C)(C#N)CCN[C@@H](CO)c1ccc(F)cc1F ZINC000595868408 349757404 /nfs/dbraw/zinc/75/74/04/349757404.db2.gz WDSKNOKOLMMQAF-ZDUSSCGKSA-N 0 1 268.307 2.528 20 30 CFEDMN CN(CC(=O)N(CCC#N)c1ccccc1)C[C@@H]1CC1(C)C ZINC000595915512 349769312 /nfs/dbraw/zinc/76/93/12/349769312.db2.gz ZVDSRDZLQSXKRM-HNNXBMFYSA-N 0 1 299.418 2.911 20 30 CFEDMN C=C(C)CN1CCC[C@H](c2ncc(C(=O)OC)s2)C1 ZINC000595921045 349769924 /nfs/dbraw/zinc/76/99/24/349769924.db2.gz RZZDYPRKUKFWKY-NSHDSACASA-N 0 1 280.393 2.685 20 30 CFEDMN CCn1nccc1CNCc1ccc(C2(C#N)CC2)cc1 ZINC000596062376 349784739 /nfs/dbraw/zinc/78/47/39/349784739.db2.gz QFSKMLOYVUYESF-UHFFFAOYSA-N 0 1 280.375 2.748 20 30 CFEDMN CN(CCC#N)C1CCN(c2ccc(F)cc2)CC1 ZINC000072666797 346935778 /nfs/dbraw/zinc/93/57/78/346935778.db2.gz YPJJDSRYGMRTMI-UHFFFAOYSA-N 0 1 261.344 2.640 20 30 CFEDMN C[C@@H]1CN(CC(=O)Nc2ccc(C#N)c(Cl)c2)C[C@H]1C ZINC000072870926 346944545 /nfs/dbraw/zinc/94/45/45/346944545.db2.gz WUDWTFFXKPRLAN-GHMZBOCLSA-N 0 1 291.782 2.738 20 30 CFEDMN CCc1n[nH]c(Sc2cc(C)c([N+](=O)[O-])cc2C#N)n1 ZINC000413045719 529744309 /nfs/dbraw/zinc/74/43/09/529744309.db2.gz RAWKHWHTTTXBAY-UHFFFAOYSA-N 0 1 289.320 2.607 20 30 CFEDMN CCc1nc(Sc2cc(C)c([N+](=O)[O-])cc2C#N)n[nH]1 ZINC000413045719 529744310 /nfs/dbraw/zinc/74/43/10/529744310.db2.gz RAWKHWHTTTXBAY-UHFFFAOYSA-N 0 1 289.320 2.607 20 30 CFEDMN C[N@H+]1CCCC(C)(C)[C@@H]1CN=c1[n-]c(C#N)c(Cl)s1 ZINC000596216720 349829638 /nfs/dbraw/zinc/82/96/38/349829638.db2.gz LCQAFMRNWMEILE-JTQLQIEISA-N 0 1 298.843 2.622 20 30 CFEDMN CO[C@](C)([C@H](C)Nc1nc(C#N)c(Cl)s1)C1CC1 ZINC000596271824 349849361 /nfs/dbraw/zinc/84/93/61/349849361.db2.gz CPEVGRUEPOKDEF-JVXZTZIISA-N 0 1 285.800 2.706 20 30 CFEDMN Cc1cc([C@@H]2CCCN2CCCSCC#N)no1 ZINC000074981012 347046704 /nfs/dbraw/zinc/04/67/04/347046704.db2.gz SGCLBQWWAMPCIY-ZDUSSCGKSA-N 0 1 265.382 2.767 20 30 CFEDMN C=CCOc1ccccc1CN(C)Cc1cnc[nH]1 ZINC000668423106 539472809 /nfs/dbraw/zinc/47/28/09/539472809.db2.gz OIFFVUYIIZHHSK-UHFFFAOYSA-N 0 1 257.337 2.607 20 30 CFEDMN C[C@H](NCc1cccc(C#N)c1)c1cncc(F)c1 ZINC000151389451 232215240 /nfs/dbraw/zinc/21/52/40/232215240.db2.gz DPIRKZBHSJMYCS-NSHDSACASA-N 0 1 255.296 2.943 20 30 CFEDMN C=C(C)[C@H](CO)N1CCC[C@@H](C(=O)c2ccc(F)cc2)C1 ZINC000677047464 539530846 /nfs/dbraw/zinc/53/08/46/539530846.db2.gz BMWQBBSHLYQZIR-ZBFHGGJFSA-N 0 1 291.366 2.657 20 30 CFEDMN CC(C)N(CC(=O)N[C@](C)(C#N)C1CC1)Cc1ccccc1 ZINC000039532758 346344478 /nfs/dbraw/zinc/34/44/78/346344478.db2.gz ZBDWNWHUWNKSFU-GOSISDBHSA-N 0 1 299.418 2.705 20 30 CFEDMN CC(C)CN(C)Cc1nnc(-c2cccc(C#N)c2)o1 ZINC000075674070 347092162 /nfs/dbraw/zinc/09/21/62/347092162.db2.gz XQORDNRKMUXGOF-UHFFFAOYSA-N 0 1 270.336 2.696 20 30 CFEDMN C[C@@H]1CCCN1C(=O)CCN(CCC#N)CC(C)(C)C ZINC000075765340 347097891 /nfs/dbraw/zinc/09/78/91/347097891.db2.gz YWZQTBDTSNBKCB-CQSZACIVSA-N 0 1 279.428 2.649 20 30 CFEDMN N#Cc1cnc(NCCN2CCCCC2)c(Cl)c1 ZINC000060379938 346664437 /nfs/dbraw/zinc/66/44/37/346664437.db2.gz JBESISDEGHYTEO-UHFFFAOYSA-N 0 1 264.760 2.504 20 30 CFEDMN C[C@@H]1CCCC[C@H]1OCCN1CCC(C#N)CC1 ZINC000057875750 346639389 /nfs/dbraw/zinc/63/93/89/346639389.db2.gz VONNKDFXXZGFNF-UKRRQHHQSA-N 0 1 250.386 2.817 20 30 CFEDMN Cc1oc(NC(=O)CN(C)CC2CCCC2)c(C#N)c1C ZINC000064020730 346713883 /nfs/dbraw/zinc/71/38/83/346713883.db2.gz IIJCUVRARGZVQJ-UHFFFAOYSA-N 0 1 289.379 2.829 20 30 CFEDMN C#CCN1CCC(Oc2ccccc2OCC)CC1 ZINC000064351289 346718268 /nfs/dbraw/zinc/71/82/68/346718268.db2.gz XYDWLRSLTXEVEK-UHFFFAOYSA-N 0 1 259.349 2.562 20 30 CFEDMN O=C(COC1CCCC1)Nc1nc(-c2ccco2)n[nH]1 ZINC000076462333 347140544 /nfs/dbraw/zinc/14/05/44/347140544.db2.gz ZDDDXPRZYQYZFK-UHFFFAOYSA-N 0 1 276.296 2.612 20 30 CFEDMN CCN(CCc1ccccc1)C[C@H](C#N)CCC#N ZINC000076512410 347141788 /nfs/dbraw/zinc/14/17/88/347141788.db2.gz XPLUBUYCVPPLRQ-INIZCTEOSA-N 0 1 255.365 2.995 20 30 CFEDMN C[C@@H](C(=O)N(C)CCC#N)N1CCC[C@@H]1c1ccsc1 ZINC000076989457 347163792 /nfs/dbraw/zinc/16/37/92/347163792.db2.gz FJQRBIPIURIMAJ-GXTWGEPZSA-N 0 1 291.420 2.646 20 30 CFEDMN C[C@H](C#N)CSc1ccccc1NC(=O)[C@H](C)N(C)C ZINC000078735614 347273153 /nfs/dbraw/zinc/27/31/53/347273153.db2.gz KZQIFBXDZCZWBB-NEPJUHHUSA-N 0 1 291.420 2.827 20 30 CFEDMN COC1CCN(CCNc2c(Cl)cccc2C#N)CC1 ZINC000080250566 347351995 /nfs/dbraw/zinc/35/19/95/347351995.db2.gz JLDPYIUVDNKESE-UHFFFAOYSA-N 0 1 293.798 2.734 20 30 CFEDMN C[S@@](=O)c1ccc(CNCc2cc(C#N)cs2)cc1 ZINC000080343283 347354586 /nfs/dbraw/zinc/35/45/86/347354586.db2.gz XKOJNYFVNKZLFT-IBGZPJMESA-N 0 1 290.413 2.647 20 30 CFEDMN C#CCN1CCC(C(=O)N2CCC[C@@H](C)[C@H]2CCC)CC1 ZINC000081176774 347406019 /nfs/dbraw/zinc/40/60/19/347406019.db2.gz XGIHWUXUZUGKLJ-NVXWUHKLSA-N 0 1 290.451 2.759 20 30 CFEDMN N#Cc1ccc([C@H](O)CN2CCc3cc(F)ccc3C2)cc1 ZINC000091896382 347602838 /nfs/dbraw/zinc/60/28/38/347602838.db2.gz DNENTZQEWSPHGQ-GOSISDBHSA-N 0 1 296.345 2.789 20 30 CFEDMN C=CCCC[C@H](C)N1CCN(C(=O)C(C)(C)C)CC1 ZINC000091506955 347591391 /nfs/dbraw/zinc/59/13/91/347591391.db2.gz CACZMJUCKOGEHB-AWEZNQCLSA-N 0 1 266.429 2.922 20 30 CFEDMN CCOC1CCN(Cc2cc(C#N)cs2)CC1 ZINC000091679357 347595435 /nfs/dbraw/zinc/59/54/35/347595435.db2.gz UFJJHRMYPJWQJG-UHFFFAOYSA-N 0 1 250.367 2.621 20 30 CFEDMN N#CCCCN1CCN(c2cccc3[nH]ccc32)CC1 ZINC000118198229 347796120 /nfs/dbraw/zinc/79/61/20/347796120.db2.gz YLMURILEZRSGNZ-UHFFFAOYSA-N 0 1 268.364 2.594 20 30 CFEDMN C=CCN(CC=C)C(=O)[C@H](C)N[C@@H](C)c1ccc(C#N)cc1 ZINC000127597379 347842606 /nfs/dbraw/zinc/84/26/06/347842606.db2.gz FAZCJUHGMRKXEZ-GJZGRUSLSA-N 0 1 297.402 2.798 20 30 CFEDMN C=CCN(CC=C)C(=O)[C@@H](C)N[C@H](C)c1ccc(C#N)cc1 ZINC000127598091 347842843 /nfs/dbraw/zinc/84/28/43/347842843.db2.gz FAZCJUHGMRKXEZ-HUUCEWRRSA-N 0 1 297.402 2.798 20 30 CFEDMN C(#Cc1ccccc1)CN1CCN(Cc2ccccc2)CC1 ZINC000136848649 347911662 /nfs/dbraw/zinc/91/16/62/347911662.db2.gz ILXHFHQZMZTWCE-UHFFFAOYSA-N 0 1 290.410 2.856 20 30 CFEDMN C=CCN(CC=C)C(=O)CN1Cc2ccccc2C[C@@H]1C ZINC000172909551 348104640 /nfs/dbraw/zinc/10/46/40/348104640.db2.gz IERKGDBZFKACAY-HNNXBMFYSA-N 0 1 284.403 2.634 20 30 CFEDMN C=CCN(CC=C)C(=O)CN1Cc2ccccc2C[C@H]1C ZINC000172909545 348104818 /nfs/dbraw/zinc/10/48/18/348104818.db2.gz IERKGDBZFKACAY-OAHLLOKOSA-N 0 1 284.403 2.634 20 30 CFEDMN CCOC(=O)CN(CC)CCCCC(C)(C)C#N ZINC000233673131 348217600 /nfs/dbraw/zinc/21/76/00/348217600.db2.gz OTMFADVNEBDIBK-UHFFFAOYSA-N 0 1 254.374 2.591 20 30 CFEDMN N#CCCNCCc1ccc(Br)s1 ZINC000226411530 348182748 /nfs/dbraw/zinc/18/27/48/348182748.db2.gz XSTCWMVWXXMAMJ-UHFFFAOYSA-N 0 1 259.172 2.556 20 30 CFEDMN CN1CC[N@H+](CC2(CC#N)CC2)[C@@H](c2ccccc2)C1 ZINC000227686515 348189394 /nfs/dbraw/zinc/18/93/94/348189394.db2.gz HQJQEJIFWJOAEK-MRXNPFEDSA-N 0 1 269.392 2.669 20 30 CFEDMN CN1CCN(CC2(CC#N)CC2)[C@@H](c2ccccc2)C1 ZINC000227686515 348189404 /nfs/dbraw/zinc/18/94/04/348189404.db2.gz HQJQEJIFWJOAEK-MRXNPFEDSA-N 0 1 269.392 2.669 20 30 CFEDMN COC(=O)C[C@H]1CCCCN1Cc1ccc(F)c(C#N)c1 ZINC000229749046 348202969 /nfs/dbraw/zinc/20/29/69/348202969.db2.gz WJIFDNMTKUIITR-CQSZACIVSA-N 0 1 290.338 2.615 20 30 CFEDMN N#C[C@@H]1CCC[C@H](NCc2cn3ccccc3n2)C1 ZINC000274228193 348334673 /nfs/dbraw/zinc/33/46/73/348334673.db2.gz RRQAZTFHWGDTPD-OLZOCXBDSA-N 0 1 254.337 2.506 20 30 CFEDMN C=CCCN(C)[C@@H](C)C(=O)N(CCC#N)c1ccccc1 ZINC000276388763 348336475 /nfs/dbraw/zinc/33/64/75/348336475.db2.gz JCXNTMOPEFRFTN-HNNXBMFYSA-N 0 1 285.391 2.830 20 30 CFEDMN COc1cc(CN[C@@](C)(CO)c2ccccc2)ccc1C#N ZINC000318485047 348434139 /nfs/dbraw/zinc/43/41/39/348434139.db2.gz WCWKUQFUVMIVDS-SFHVURJKSA-N 0 1 296.370 2.564 20 30 CFEDMN N#CC1(CSc2nc(-c3ccccc3)n[nH]2)CC1 ZINC000349144964 348464962 /nfs/dbraw/zinc/46/49/62/348464962.db2.gz RIHVFFBCECOXOW-UHFFFAOYSA-N 0 1 256.334 2.868 20 30 CFEDMN CC[C@H]1CN(Cc2ccc(CC#N)cc2)[C@@H](C)CO1 ZINC000403843637 348587608 /nfs/dbraw/zinc/58/76/08/348587608.db2.gz QBVJCFUAJKFXPW-BBRMVZONSA-N 0 1 258.365 2.752 20 30 CFEDMN CC[C@@H]1CN(Cc2ccc(C#N)cc2C)[C@@H](C)CO1 ZINC000403881148 348588668 /nfs/dbraw/zinc/58/86/68/348588668.db2.gz TVKDOHYEOWIJDK-XJKSGUPXSA-N 0 1 258.365 2.866 20 30 CFEDMN CC[C@H]1CN(Cc2ccc(C#N)cc2C)[C@H](C)CO1 ZINC000403881142 348588728 /nfs/dbraw/zinc/58/87/28/348588728.db2.gz TVKDOHYEOWIJDK-CJNGLKHVSA-N 0 1 258.365 2.866 20 30 CFEDMN N#Cc1ccc(CN(CCCO)C2CC2)c(Cl)c1 ZINC000404329281 348591152 /nfs/dbraw/zinc/59/11/52/348591152.db2.gz WZIQZIXAMJLVIM-UHFFFAOYSA-N 0 1 264.756 2.558 20 30 CFEDMN C=CCCCCCNC(=O)c1n[nH]nc1-c1ccccc1 ZINC000563819871 348660502 /nfs/dbraw/zinc/66/05/02/348660502.db2.gz PUKIJSIQVVOBCL-UHFFFAOYSA-N 0 1 284.363 2.948 20 30 CFEDMN N#C[C@H](c1ccc(F)cc1)N1CCN(CCCCF)CC1 ZINC000586769047 348749304 /nfs/dbraw/zinc/74/93/04/348749304.db2.gz OSIXTRPAXWBUDF-MRXNPFEDSA-N 0 1 293.361 2.758 20 30 CFEDMN CC(C)(CNCc1nc(C#N)cs1)[C@@H]1CCCCO1 ZINC000589314660 348826660 /nfs/dbraw/zinc/82/66/60/348826660.db2.gz JVYPKEOBKLJZFK-LBPRGKRZSA-N 0 1 279.409 2.700 20 30 CFEDMN CC(C)[C@@](C)(C#N)NC(=O)[C@@H](C)N1CCC(C2CC2)CC1 ZINC000590008102 348868990 /nfs/dbraw/zinc/86/89/90/348868990.db2.gz DNIFEBKRHHVTNO-CXAGYDPISA-N 0 1 291.439 2.551 20 30 CFEDMN C[C@@H](NCc1cnn(CC(F)F)c1)c1cccc(C#N)c1 ZINC000590067236 348872474 /nfs/dbraw/zinc/87/24/74/348872474.db2.gz WECPRTOOBKFNBO-LLVKDONJSA-N 0 1 290.317 2.871 20 30 CFEDMN CC(C)[C@@H](C#N)N1CCN(C[C@@H]2CCC(F)(F)C2)CC1 ZINC000590709305 348932666 /nfs/dbraw/zinc/93/26/66/348932666.db2.gz GXZDALANXXLRIP-ZIAGYGMSSA-N 0 1 285.382 2.588 20 30 CFEDMN N#Cc1ccncc1N1CCN(CCC2=CCCCC2)CC1 ZINC000590743757 348940824 /nfs/dbraw/zinc/94/08/24/348940824.db2.gz OTTOJCPAXPEHIP-UHFFFAOYSA-N 0 1 296.418 2.966 20 30 CFEDMN CCn1cc([C@H](C)NCc2ccc(C#N)cc2C)cn1 ZINC000590762827 348944929 /nfs/dbraw/zinc/94/49/29/348944929.db2.gz ZCDAAIQYGHTNSL-ZDUSSCGKSA-N 0 1 268.364 2.934 20 30 CFEDMN C[C@H](NCC(=O)N1CCCC[C@H]1C)c1cccc(C#N)c1 ZINC000591022987 348979523 /nfs/dbraw/zinc/97/95/23/348979523.db2.gz NYEGTDYTJVPTIU-KGLIPLIRSA-N 0 1 285.391 2.610 20 30 CFEDMN Cc1sccc1CC(=O)NC1(c2nnc[nH]2)CCC1 ZINC000329318327 539694952 /nfs/dbraw/zinc/69/49/52/539694952.db2.gz IDEXDGWHQHYUJB-UHFFFAOYSA-N 0 1 276.365 2.753 20 30 CFEDMN N#CC(C(=O)c1cocn1)c1ccc2ccccc2n1 ZINC000591862555 349051743 /nfs/dbraw/zinc/05/17/43/349051743.db2.gz VSZMYTZZARYDPA-LLVKDONJSA-N 0 1 263.256 2.713 20 30 CFEDMN CN1CCCC[C@H]1C(=O)N[C@H]1CCCc2cc(C#N)ccc21 ZINC000591322957 349009512 /nfs/dbraw/zinc/00/95/12/349009512.db2.gz ZJBHTOPMXQIOGS-IRXDYDNUSA-N 0 1 297.402 2.536 20 30 CFEDMN CCn1cncc1CN[C@@H]1CCc2cc(C#N)ccc21 ZINC000591356904 349011606 /nfs/dbraw/zinc/01/16/06/349011606.db2.gz LWIWUIIQSICVMK-MRXNPFEDSA-N 0 1 266.348 2.552 20 30 CFEDMN CCCN(Cc1ccncc1C#N)[C@@H]1[C@H]2CCO[C@H]2C1(C)C ZINC000592072065 349079625 /nfs/dbraw/zinc/07/96/25/349079625.db2.gz IFPLIGCLXLDTAX-BRWVUGGUSA-N 0 1 299.418 2.979 20 30 CFEDMN COc1ccccc1[C@H]1CCN(Cc2ccncc2C#N)C1 ZINC000592072073 349079695 /nfs/dbraw/zinc/07/96/95/349079695.db2.gz IVIPWWSCJTZWQH-HNNXBMFYSA-N 0 1 293.370 2.951 20 30 CFEDMN CCC1(CC)[C@H](NCc2ccncc2C#N)C[C@@H]1OC ZINC000592111910 349084234 /nfs/dbraw/zinc/08/42/34/349084234.db2.gz JWAJHHFIWFQZKU-CABCVRRESA-N 0 1 273.380 2.637 20 30 CFEDMN N#C[C@@H](CCc1ccccc1)c1nc([C@H]2CCCN2)no1 ZINC000592356362 349107517 /nfs/dbraw/zinc/10/75/17/349107517.db2.gz OTZOHRPIBIASAS-ZIAGYGMSSA-N 0 1 282.347 2.734 20 30 CFEDMN N#CC[C@]1(O)CCN(CCSc2ccc(Cl)cc2)C1 ZINC000592147495 349091320 /nfs/dbraw/zinc/09/13/20/349091320.db2.gz PGCMNUPPANXENZ-AWEZNQCLSA-N 0 1 296.823 2.783 20 30 CFEDMN CCc1nc(C(C)C)ccc1CN1CC[C@@](O)(CC#N)C1 ZINC000592153821 349092639 /nfs/dbraw/zinc/09/26/39/349092639.db2.gz PHNHMYWRESIXNI-KRWDZBQOSA-N 0 1 287.407 2.618 20 30 CFEDMN C[C@H](CN1CC[C@](O)(CC#N)C1)c1cccc(Cl)c1 ZINC000592153795 349092855 /nfs/dbraw/zinc/09/28/55/349092855.db2.gz OXNSUZQJOZLJTL-IUODEOHRSA-N 0 1 278.783 2.794 20 30 CFEDMN CC(C)(C#N)c1ccc(-c2nc([C@H]3CCCN3)no2)cc1 ZINC000592357215 349107984 /nfs/dbraw/zinc/10/79/84/349107984.db2.gz UZHWJEFABBVHCH-CYBMUJFWSA-N 0 1 282.347 2.962 20 30 CFEDMN CCN(CCSC)Cc1cn2ccccc2c1C#N ZINC000592204205 349101100 /nfs/dbraw/zinc/10/11/00/349101100.db2.gz RNTRHQRPVYRRAQ-UHFFFAOYSA-N 0 1 273.405 2.996 20 30 CFEDMN CCSc1cccc(CN2CC[C@@](O)(CC#N)C2)c1 ZINC000592522723 349132093 /nfs/dbraw/zinc/13/20/93/349132093.db2.gz QJKVRNZFIZVEMN-HNNXBMFYSA-N 0 1 276.405 2.649 20 30 CFEDMN COc1cc2ccccc2cc1CN1CC[C@](O)(CC#N)C1 ZINC000592526601 349134866 /nfs/dbraw/zinc/13/48/66/349134866.db2.gz ZWCNZRWXIRGGKD-GOSISDBHSA-N 0 1 296.370 2.699 20 30 CFEDMN CC[C@H](OCCN1CC[C@](O)(CC#N)C1)c1ccccc1 ZINC000593035812 349191502 /nfs/dbraw/zinc/19/15/02/349191502.db2.gz SSBUSCRFQUXNGE-DLBZAZTESA-N 0 1 288.391 2.505 20 30 CFEDMN N#CCCN(C(=O)CN1CCC12CCCC2)c1ccccc1 ZINC000593038846 349192479 /nfs/dbraw/zinc/19/24/79/349192479.db2.gz LWGVRRZVPCBMGM-UHFFFAOYSA-N 0 1 297.402 2.952 20 30 CFEDMN CCc1c(NC(=O)[C@@H](C#N)CC)[nH]nc1-c1ccncc1 ZINC000593451154 349273194 /nfs/dbraw/zinc/27/31/94/349273194.db2.gz SLVNHDZXEPEUTA-SNVBAGLBSA-N 0 1 283.335 2.522 20 30 CFEDMN N#CCCCCC(=O)Nc1nc2ccc(F)cc2[nH]1 ZINC000594012913 349353459 /nfs/dbraw/zinc/35/34/59/349353459.db2.gz OTQXJVASCAXXKO-UHFFFAOYSA-N 0 1 260.272 2.724 20 30 CFEDMN CN(CCCN(C)C(=O)CCCCC#N)Cc1ccco1 ZINC000594025456 349355630 /nfs/dbraw/zinc/35/56/30/349355630.db2.gz MLMGBRNUPWIIMI-UHFFFAOYSA-N 0 1 291.395 2.644 20 30 CFEDMN N#CC1(CNCc2ccc3[nH]cnc3c2)CCCC1 ZINC000593652982 349304985 /nfs/dbraw/zinc/30/49/85/349304985.db2.gz UPCIHPZPFWQFTD-UHFFFAOYSA-N 0 1 254.337 2.736 20 30 CFEDMN N#CC1(CNCc2ccc3nc[nH]c3c2)CCCC1 ZINC000593652982 349304992 /nfs/dbraw/zinc/30/49/92/349304992.db2.gz UPCIHPZPFWQFTD-UHFFFAOYSA-N 0 1 254.337 2.736 20 30 CFEDMN C=CCCCN(C)Cc1c(C)nc2sc(C)nn12 ZINC000271184262 190984360 /nfs/dbraw/zinc/98/43/60/190984360.db2.gz JALASORPURNNSG-UHFFFAOYSA-N 0 1 264.398 2.806 20 30 CFEDMN CN(C)Cc1cc(CNC(=O)CCCCC#N)ccc1F ZINC000594292286 349405008 /nfs/dbraw/zinc/40/50/08/349405008.db2.gz AYCZETJBFSJLSH-UHFFFAOYSA-N 0 1 291.370 2.587 20 30 CFEDMN Cc1c(C#N)c(=NC(=O)c2cccc(C(C)(C)C)c2)[nH]n1C ZINC000594052950 349364942 /nfs/dbraw/zinc/36/49/42/349364942.db2.gz JYTAGVVIAMNROR-UHFFFAOYSA-N 0 1 296.374 2.572 20 30 CFEDMN CCN1CC[N@H+](Cc2ccc(C3(C#N)CC3)cc2)C[C@H]1C ZINC000597003459 350015123 /nfs/dbraw/zinc/01/51/23/350015123.db2.gz HKAATELZJUMAAU-OAHLLOKOSA-N 0 1 283.419 2.768 20 30 CFEDMN N#CC1(c2ccc(C[N@H+]3CCO[C@H](C4CC4)C3)cc2)CC1 ZINC000597084680 350027871 /nfs/dbraw/zinc/02/78/71/350027871.db2.gz AKLRXNGWZNYJMZ-KRWDZBQOSA-N 0 1 282.387 2.853 20 30 CFEDMN N#CC1(c2ccc(CN3CCO[C@H](C4CC4)C3)cc2)CC1 ZINC000597084680 350027873 /nfs/dbraw/zinc/02/78/73/350027873.db2.gz AKLRXNGWZNYJMZ-KRWDZBQOSA-N 0 1 282.387 2.853 20 30 CFEDMN C[C@H](Cc1cnc[nH]1)C(=O)N(C)[C@@H](C)c1cccc(C#N)c1 ZINC000594371121 349411907 /nfs/dbraw/zinc/41/19/07/349411907.db2.gz CNMGDUYVQQDFCU-OLZOCXBDSA-N 0 1 296.374 2.680 20 30 CFEDMN N#CCN(C(=O)c1cc2[nH]cnc2cc1F)C1CCCC1 ZINC000597276464 350078403 /nfs/dbraw/zinc/07/84/03/350078403.db2.gz JCYZNFQPIYJVPD-UHFFFAOYSA-N 0 1 286.310 2.610 20 30 CFEDMN CCCCCc1cc(C(=O)N2CCC[C@@](C)(C#N)C2)n[nH]1 ZINC000597498540 350105501 /nfs/dbraw/zinc/10/55/01/350105501.db2.gz JIAYZEDRHSJKGB-INIZCTEOSA-N 0 1 288.395 2.908 20 30 CFEDMN Cc1ccc(-c2cc(C(=O)N([C@H](C)C#N)C3CC3)n[nH]2)cc1 ZINC000598126283 350202264 /nfs/dbraw/zinc/20/22/64/350202264.db2.gz SYXMQMWEBYUPGG-GFCCVEGCSA-N 0 1 294.358 2.902 20 30 CFEDMN Cc1ccc(C#N)cc1NC(=O)N1CCN2CCCC[C@H]2C1 ZINC000105024797 186038540 /nfs/dbraw/zinc/03/85/40/186038540.db2.gz NYXVWIHJNNSSGN-HNNXBMFYSA-N 0 1 298.390 2.569 20 30 CFEDMN CC1(C)CC[C@H](CO)N(Cc2cn3ccccc3c2C#N)C1 ZINC000598648253 350301546 /nfs/dbraw/zinc/30/15/46/350301546.db2.gz PBVDMOHQVVUNAN-OAHLLOKOSA-N 0 1 297.402 2.794 20 30 CFEDMN CCCc1ccc(CN2CC[C@@](O)(CC#N)C2)s1 ZINC000598676357 350308094 /nfs/dbraw/zinc/30/80/94/350308094.db2.gz OSKQYXKACFICQW-AWEZNQCLSA-N 0 1 264.394 2.551 20 30 CFEDMN COc1cc(CN2CC(CC3CC3)C2)ccc1C#N ZINC000598678121 350308444 /nfs/dbraw/zinc/30/84/44/350308444.db2.gz MEWLASNRRUEYQV-UHFFFAOYSA-N 0 1 256.349 2.799 20 30 CFEDMN COc1cccc(F)c1[C@@H](C)NC[C@H](O)CC(C)(C)C#N ZINC000598600208 350290799 /nfs/dbraw/zinc/29/07/99/350290799.db2.gz ICZQEBAFDYVSPO-VXGBXAGGSA-N 0 1 294.370 2.786 20 30 CFEDMN Cc1c(C#N)cccc1NC(=O)[C@H]1C[C@@H](C)Cc2cn[nH]c21 ZINC000598942986 350347217 /nfs/dbraw/zinc/34/72/17/350347217.db2.gz RFLAKWQFWKDRKB-HZMBPMFUSA-N 0 1 294.358 2.894 20 30 CFEDMN Cc1cc(C#N)cc(NC(=O)[C@@H]2C[C@H](C)Cc3cn[nH]c32)c1 ZINC000598936863 350347230 /nfs/dbraw/zinc/34/72/30/350347230.db2.gz DPVNTZMQZWFTHM-IAQYHMDHSA-N 0 1 294.358 2.894 20 30 CFEDMN CCn1cc([C@@H](C)NCc2ccc(C)c(C#N)c2)cn1 ZINC000599434467 350437846 /nfs/dbraw/zinc/43/78/46/350437846.db2.gz BCJZPNFJFWYJDV-CYBMUJFWSA-N 0 1 268.364 2.934 20 30 CFEDMN Cc1ccc(C[N@@H+]2CC[C@H](C)C[C@H]2[C@H](C)O)cc1C#N ZINC000599383900 350428689 /nfs/dbraw/zinc/42/86/89/350428689.db2.gz HOZVVKUBDUTXPH-JDFRZJQESA-N 0 1 272.392 2.848 20 30 CFEDMN Cc1ccc(C[N@@H+]2CC[C@H](C)C[C@@H]2[C@H](C)O)cc1C#N ZINC000599383902 350428721 /nfs/dbraw/zinc/42/87/21/350428721.db2.gz HOZVVKUBDUTXPH-RVSPLBMKSA-N 0 1 272.392 2.848 20 30 CFEDMN CC(C)(C)OC(=O)[C@]1(C)CCCN1CCCSCC#N ZINC000599494200 350446232 /nfs/dbraw/zinc/44/62/32/350446232.db2.gz GAUOFCRCLUGJKD-HNNXBMFYSA-N 0 1 298.452 2.829 20 30 CFEDMN C[C@@H](C#N)CNCC1(O)CCC(c2ccccc2)CC1 ZINC000600727069 350602385 /nfs/dbraw/zinc/60/23/85/350602385.db2.gz OAEFARDHPBHCKA-OOHWJJMZSA-N 0 1 272.392 2.825 20 30 CFEDMN C[C@H](C#N)n1cc(-c2ccc(CN(C)C)c(F)c2)cn1 ZINC000600777817 350610087 /nfs/dbraw/zinc/61/00/87/350610087.db2.gz UFVDSKUVXAMDMB-LLVKDONJSA-N 0 1 272.327 2.835 20 30 CFEDMN COc1ccc(-c2cccc([C@@H]3COCCN3)c2)c(C#N)c1 ZINC000600789674 350612042 /nfs/dbraw/zinc/61/20/42/350612042.db2.gz HKFFDWIYPBONJW-SFHVURJKSA-N 0 1 294.354 2.895 20 30 CFEDMN N#C[C@H]1CC[C@@H](NCc2ccncc2Br)C1 ZINC000601129476 350676996 /nfs/dbraw/zinc/67/69/96/350676996.db2.gz RVQFNKYZKCXYGQ-GXSJLCMTSA-N 0 1 280.169 2.626 20 30 CFEDMN Cc1cc(CN[C@@H]2CCCn3nccc32)ccc1C#N ZINC000601174091 350688893 /nfs/dbraw/zinc/68/88/93/350688893.db2.gz OLKJXKMDZUBGGT-OAHLLOKOSA-N 0 1 266.348 2.688 20 30 CFEDMN Cc1ccc2nc(NC(=O)C3(C#N)CC4(CC4)C3)[nH]c2c1 ZINC000601596018 350744445 /nfs/dbraw/zinc/74/44/45/350744445.db2.gz MLHXZQURJVMBEV-UHFFFAOYSA-N 0 1 280.331 2.894 20 30 CFEDMN Cc1[nH]n(-c2ccc(C#N)c(Cl)c2)c(=O)c1CCC#N ZINC000601949476 350816139 /nfs/dbraw/zinc/81/61/39/350816139.db2.gz PZXBDPBVNUJMTR-GFCCVEGCSA-N 0 1 286.722 2.854 20 30 CFEDMN C[C@@H]1CC[C@H](C)N1CC(=O)Nc1cc(F)cc(C#N)c1 ZINC000601713076 350767072 /nfs/dbraw/zinc/76/70/72/350767072.db2.gz ANEGDMUGIRINSA-PHIMTYICSA-N 0 1 275.327 2.509 20 30 CFEDMN CC[C@@](C)(C#N)C(=O)N[C@H]1CCN(Cc2ccc(C)cc2)C1 ZINC000601880315 350797410 /nfs/dbraw/zinc/79/74/10/350797410.db2.gz FMMJABGUHJWBFW-WMZOPIPTSA-N 0 1 299.418 2.625 20 30 CFEDMN CC[C@](C)(C#N)C(=O)N[C@@H]1CCN(Cc2ccc(C)cc2)C1 ZINC000601880314 350797452 /nfs/dbraw/zinc/79/74/52/350797452.db2.gz FMMJABGUHJWBFW-SJLPKXTDSA-N 0 1 299.418 2.625 20 30 CFEDMN Cc1[nH]n(-c2ccc(C#N)c(C(F)(F)F)c2)c(=O)c1C ZINC000601938701 350810471 /nfs/dbraw/zinc/81/04/71/350810471.db2.gz IMXOMBOJVMJSGP-SSDOTTSWSA-N 0 1 281.237 2.936 20 30 CFEDMN Cc1[nH]n(CCCc2ccccc2)c(=O)c1CCC#N ZINC000601938714 350810516 /nfs/dbraw/zinc/81/05/16/350810516.db2.gz ISKCUNPVUHRECZ-OAHLLOKOSA-N 0 1 269.348 2.757 20 30 CFEDMN CCCCc1cc(=O)n(Cc2ccc(C#N)cc2)[nH]1 ZINC000601944458 350812621 /nfs/dbraw/zinc/81/26/21/350812621.db2.gz HDFFUCYYGUYVSH-UHFFFAOYSA-N 0 1 255.321 2.837 20 30 CFEDMN N#Cc1c(F)cccc1CNCC1(C(F)F)CC1 ZINC000602017489 350832954 /nfs/dbraw/zinc/83/29/54/350832954.db2.gz RMXSJCFQCCQDRW-UHFFFAOYSA-N 0 1 254.255 2.832 20 30 CFEDMN CC[C@@H](C)[C@@H](CNCc1cccc(F)c1C#N)OC ZINC000602024436 350834779 /nfs/dbraw/zinc/83/47/79/350834779.db2.gz MRQCWZBOTWSTNB-IAQYHMDHSA-N 0 1 264.344 2.848 20 30 CFEDMN N#CCC[C@H](NC(=O)[C@@H]1C[C@H]1c1cnc[nH]1)c1ccccc1 ZINC000602130092 350845385 /nfs/dbraw/zinc/84/53/85/350845385.db2.gz UGCWCBKKFQAYHX-KFWWJZLASA-N 0 1 294.358 2.674 20 30 CFEDMN N#Cc1c(F)cccc1CNCC1(O)CCCCCC1 ZINC000602005360 350828050 /nfs/dbraw/zinc/82/80/50/350828050.db2.gz HOSFZLQCNSCJBD-UHFFFAOYSA-N 0 1 276.355 2.872 20 30 CFEDMN C[C@H](CC1(C#N)CCOCC1)NCc1cn2ccccc2n1 ZINC000602505387 350907876 /nfs/dbraw/zinc/90/78/76/350907876.db2.gz XUVXMJHBPDEZBF-CQSZACIVSA-N 0 1 298.390 2.523 20 30 CFEDMN C[C@@H]1CCCC[C@@H]1OCCNCc1cccc(C#N)n1 ZINC000602514815 350911004 /nfs/dbraw/zinc/91/10/04/350911004.db2.gz MGIXXGIFERDVCJ-CJNGLKHVSA-N 0 1 273.380 2.638 20 30 CFEDMN Cc1cnc(CN[C@@H](C)CC2(C#N)CCOCC2)s1 ZINC000602545521 350919082 /nfs/dbraw/zinc/91/90/82/350919082.db2.gz DWNUVOMSYXMFLT-NSHDSACASA-N 0 1 279.409 2.640 20 30 CFEDMN C[C@@H](CCC#N)CN[C@@H](CO)c1c(F)cccc1F ZINC000602548561 350920348 /nfs/dbraw/zinc/92/03/48/350920348.db2.gz ZPEGDTFXVXDUOH-GWCFXTLKSA-N 0 1 268.307 2.528 20 30 CFEDMN CC(C)n1ccc(CN[C@H](C)CC2(C#N)CCOCC2)n1 ZINC000602553284 350921956 /nfs/dbraw/zinc/92/19/56/350921956.db2.gz RQVLCEOLBRIZIP-CQSZACIVSA-N 0 1 290.411 2.653 20 30 CFEDMN CC[C@@H](NCc1cccc(C#N)n1)c1c(C)nn(C)c1C ZINC000602560885 350924254 /nfs/dbraw/zinc/92/42/54/350924254.db2.gz AERUQYWWGHICIM-OAHLLOKOSA-N 0 1 283.379 2.545 20 30 CFEDMN COc1cccc2c1CC[C@@H]2NCc1cccc(C#N)n1 ZINC000602568806 350927395 /nfs/dbraw/zinc/92/73/95/350927395.db2.gz NGFQIRQENFISAJ-INIZCTEOSA-N 0 1 279.343 2.739 20 30 CFEDMN C[C@H](NCc1cccc(C#N)n1)c1ccc([S@@](C)=O)cc1 ZINC000602578474 350931722 /nfs/dbraw/zinc/93/17/22/350931722.db2.gz VITKRHGFCZMHND-LAJNKCICSA-N 0 1 299.399 2.541 20 30 CFEDMN C[C@H](CCC#N)CNc1cnccc1-n1cccn1 ZINC000602582026 350933514 /nfs/dbraw/zinc/93/35/14/350933514.db2.gz MKDLESLXZQPTLO-GFCCVEGCSA-N 0 1 255.325 2.619 20 30 CFEDMN N#Cc1cccc(CN[C@@H](c2ccccc2)[C@H]2CCOC2)n1 ZINC000602580990 350933731 /nfs/dbraw/zinc/93/37/31/350933731.db2.gz GIRRMZRGRQNZIQ-YJBOKZPZSA-N 0 1 293.370 2.821 20 30 CFEDMN C[C@@H](CCC#N)CN1CCO[C@@H](c2ccccc2)C1 ZINC000602437431 350882470 /nfs/dbraw/zinc/88/24/70/350882470.db2.gz XJUIILJSUKFPPA-GOEBONIOSA-N 0 1 258.365 3.000 20 30 CFEDMN CCC[C@@H](C[N@@H+](CCOC)Cc1ccc(C#N)cc1)OC ZINC000602444074 350886395 /nfs/dbraw/zinc/88/63/95/350886395.db2.gz KIHIERJOOXROSU-KRWDZBQOSA-N 0 1 290.407 2.822 20 30 CFEDMN C[C@@H](C#N)CN(C)C[C@H]1CCN(c2ccccc2)C1 ZINC000602447234 350886948 /nfs/dbraw/zinc/88/69/48/350886948.db2.gz LSPDBYAKDYQLLR-LSDHHAIUSA-N 0 1 257.381 2.604 20 30 CFEDMN C=CCCCN(C)Cc1cc(C(=O)OC(C)(C)C)nn1C ZINC000602474074 350896161 /nfs/dbraw/zinc/89/61/61/350896161.db2.gz PMCCNPPHFMJTQK-UHFFFAOYSA-N 0 1 293.411 2.773 20 30 CFEDMN C=CCCCCCN(C)Cc1cc(C(=O)OC)no1 ZINC000602476021 350896838 /nfs/dbraw/zinc/89/68/38/350896838.db2.gz WENZNAVJRCEYRZ-UHFFFAOYSA-N 0 1 266.341 2.639 20 30 CFEDMN COc1cc(CN[C@H]2CCc3cc(C#N)ccc32)sn1 ZINC000602639443 350957662 /nfs/dbraw/zinc/95/76/62/350957662.db2.gz JDSLKEBRJZPBES-AWEZNQCLSA-N 0 1 285.372 2.800 20 30 CFEDMN C[C@H](CCC#N)CN1C[C@@H](C)O[C@@H](CC(F)(F)F)C1 ZINC000602717003 350997115 /nfs/dbraw/zinc/99/71/15/350997115.db2.gz KDXJVTSHHPHORT-UTUOFQBUSA-N 0 1 278.318 2.968 20 30 CFEDMN N#Cc1cccc(CN[C@@H]2CCO[C@H]2c2ccccc2)n1 ZINC000602728608 351003310 /nfs/dbraw/zinc/00/33/10/351003310.db2.gz BUEBFZDKVWPZLU-SJORKVTESA-N 0 1 279.343 2.573 20 30 CFEDMN Cc1scc(CNCc2cnc3c(C#N)cnn3c2)c1C ZINC000602732429 351004918 /nfs/dbraw/zinc/00/49/18/351004918.db2.gz IEOVFJGXQMXZEN-UHFFFAOYSA-N 0 1 297.387 2.569 20 30 CFEDMN CCC1(CC)CN(C[C@@H](C)CCC#N)CC[S@@]1=O ZINC000602619518 350948908 /nfs/dbraw/zinc/94/89/08/350948908.db2.gz OMTVCMWSLZSNEK-UGSOOPFHSA-N 0 1 270.442 2.549 20 30 CFEDMN CC(=O)Nc1cccc2c1CCN(CC1(CC#N)CC1)C2 ZINC000602767901 351017845 /nfs/dbraw/zinc/01/78/45/351017845.db2.gz LAQLWPIMNQMLLT-UHFFFAOYSA-N 0 1 283.375 2.697 20 30 CFEDMN CC(C)[C@H](NCC1(CC#N)CC1)c1nnc2ccccn21 ZINC000602804465 351031946 /nfs/dbraw/zinc/03/19/46/351031946.db2.gz IGJIUNDXTMKHJI-AWEZNQCLSA-N 0 1 283.379 2.710 20 30 CFEDMN C[C@@H]1COc2ccccc2CN1CC1(CC#N)CC1 ZINC000602807203 351033162 /nfs/dbraw/zinc/03/31/62/351033162.db2.gz WAYVLOGZQVMMCT-CYBMUJFWSA-N 0 1 256.349 2.963 20 30 CFEDMN C[C@H](c1ccc(F)cc1)N1C[C@@H](C)N(CC#N)[C@@H](C)C1 ZINC000602856520 351047331 /nfs/dbraw/zinc/04/73/31/351047331.db2.gz MWERVQINUGZHGF-HZSPNIEDSA-N 0 1 275.371 2.805 20 30 CFEDMN CC(C)(C)OC(=O)CC1(NCCC#N)CCCCC1 ZINC000602877349 351055427 /nfs/dbraw/zinc/05/54/27/351055427.db2.gz GZADSCBBWSYPKP-UHFFFAOYSA-N 0 1 266.385 2.924 20 30 CFEDMN N#Cc1ccc(F)c(CN2CCC[C@H](n3ccnn3)CC2)c1 ZINC000602887311 351058493 /nfs/dbraw/zinc/05/84/93/351058493.db2.gz HJKBAYJZUYVISX-HNNXBMFYSA-N 0 1 299.353 2.516 20 30 CFEDMN Cc1cc(CN2CCC(Nc3ccccc3C#N)CC2)on1 ZINC000602900231 351060595 /nfs/dbraw/zinc/06/05/95/351060595.db2.gz MYTCRTQUBLGLKK-UHFFFAOYSA-N 0 1 296.374 2.931 20 30 CFEDMN C=CC[C@@H]1CC[N@H+](Cc2cnc(C(=O)OCC)s2)C1 ZINC000602915809 351063824 /nfs/dbraw/zinc/06/38/24/351063824.db2.gz KNOIMWLQOHZZQO-LLVKDONJSA-N 0 1 280.393 2.718 20 30 CFEDMN C=CC[C@@H]1CCN(Cc2cnc(C(=O)OCC)s2)C1 ZINC000602915809 351063827 /nfs/dbraw/zinc/06/38/27/351063827.db2.gz KNOIMWLQOHZZQO-LLVKDONJSA-N 0 1 280.393 2.718 20 30 CFEDMN N#Cc1ccccc1-c1ccc(C[N@@H+]2C[C@H]3C[C@@]3(O)C2)cc1 ZINC000603086513 351102731 /nfs/dbraw/zinc/10/27/31/351102731.db2.gz KUGLWNNXZHDVGV-IEBWSBKVSA-N 0 1 290.366 2.792 20 30 CFEDMN CCn1nc(C)c(CN(C)[C@H]2CC[C@H](C#N)C2)c1C ZINC000602924560 351068015 /nfs/dbraw/zinc/06/80/15/351068015.db2.gz FOPNZYCRKLBNAM-KBPBESRZSA-N 0 1 260.385 2.644 20 30 CFEDMN CCN(CCCN(C)[C@H]1CCC[C@@H]1C#N)CC(F)(F)F ZINC000602979459 351079961 /nfs/dbraw/zinc/07/99/61/351079961.db2.gz DPFYXGFHYIFJBT-OLZOCXBDSA-N 0 1 291.361 2.885 20 30 CFEDMN CN(CCC(=O)Nc1cccc(C#N)c1)[C@@H]1CCC[C@@H]1C#N ZINC000602980357 351080946 /nfs/dbraw/zinc/08/09/46/351080946.db2.gz PGGZOUDKHGZRSC-GDBMZVCRSA-N 0 1 296.374 2.511 20 30 CFEDMN CN(C[C@H](O)CCc1ccccc1)[C@@H]1CCC[C@H]1C#N ZINC000602980511 351082643 /nfs/dbraw/zinc/08/26/43/351082643.db2.gz QTKRRYWMZFKECL-GVDBMIGSSA-N 0 1 272.392 2.604 20 30 CFEDMN CN(C[C@H](O)Cc1cccc(Cl)c1)[C@H]1CCC[C@H]1C#N ZINC000602981646 351083746 /nfs/dbraw/zinc/08/37/46/351083746.db2.gz HHPJRBFBVXNBMM-IMJJTQAJSA-N 0 1 292.810 2.867 20 30 CFEDMN C[C@H](c1ccccc1)[C@H](O)CN(C)[C@H]1CCC[C@H]1C#N ZINC000602982418 351083950 /nfs/dbraw/zinc/08/39/50/351083950.db2.gz SBBJSLAWCGFYGD-BSWAZPDLSA-N 0 1 272.392 2.775 20 30 CFEDMN C[C@H](CCC#N)N1CCN(c2cccc(F)c2)CC1 ZINC000603015145 351090929 /nfs/dbraw/zinc/09/09/29/351090929.db2.gz OSQKKSUMMBEXCU-CYBMUJFWSA-N 0 1 261.344 2.640 20 30 CFEDMN N#Cc1cc(CN[C@@H]2CCCn3nccc32)ccc1F ZINC000603026660 351091858 /nfs/dbraw/zinc/09/18/58/351091858.db2.gz CGTDDRZTNYARQC-CQSZACIVSA-N 0 1 270.311 2.519 20 30 CFEDMN Cc1[nH]n(-c2cc(C)ccc2C)c(=O)c1CCC#N ZINC000603923431 351192043 /nfs/dbraw/zinc/19/20/43/351192043.db2.gz IXKYGMKEZGTPNS-CYBMUJFWSA-N 0 1 255.321 2.946 20 30 CFEDMN C=CCCCN1CCN(C(=O)C(CC)CC)CC1 ZINC000605149931 351238970 /nfs/dbraw/zinc/23/89/70/351238970.db2.gz RHBGZUQXGRQQQO-UHFFFAOYSA-N 0 1 252.402 2.533 20 30 CFEDMN Cc1nnc([C@@H]2CCCN(Cc3ccccc3C#N)C2)o1 ZINC000604553987 351218661 /nfs/dbraw/zinc/21/86/61/351218661.db2.gz IQISDGJHPCHGER-OAHLLOKOSA-N 0 1 282.347 2.629 20 30 CFEDMN N#Cc1ccc(CN2CCC[C@@H](n3ccnc3)C2)c(F)c1 ZINC000609258033 351494107 /nfs/dbraw/zinc/49/41/07/351494107.db2.gz JBPFOWBWJVGEBZ-OAHLLOKOSA-N 0 1 284.338 2.731 20 30 CFEDMN N#Cc1cccc(CNc2cnn(-c3ccncc3)c2)c1 ZINC000608982798 351482914 /nfs/dbraw/zinc/48/29/14/351482914.db2.gz ZWDWXHWVZLYPSW-UHFFFAOYSA-N 0 1 275.315 2.751 20 30 CFEDMN CC(C)(C)CC(=O)N1CCN(CCCC(C)(C)C#N)CC1 ZINC000610447616 351566995 /nfs/dbraw/zinc/56/69/95/351566995.db2.gz ZLYJICPIDLWFFP-UHFFFAOYSA-N 0 1 293.455 2.897 20 30 CFEDMN CCC[C@H](C)NC(=O)[C@@H](C)N[C@H](C)c1cccc(C#N)c1 ZINC000610345869 351557130 /nfs/dbraw/zinc/55/71/30/351557130.db2.gz BBVXYQCAAPYFMG-BFHYXJOUSA-N 0 1 287.407 2.902 20 30 CFEDMN CCN1CCCC[C@@H]1C(=O)N[C@@H](C)c1cccc(C#N)c1 ZINC000610364373 351560340 /nfs/dbraw/zinc/56/03/40/351560340.db2.gz SJWKVMQWODUMKA-XJKSGUPXSA-N 0 1 285.391 2.610 20 30 CFEDMN CCn1nccc1CN[C@@H](C)c1cccc(C#N)c1 ZINC000611080815 351639343 /nfs/dbraw/zinc/63/93/43/351639343.db2.gz LPZIQQDHHPAEPB-LBPRGKRZSA-N 0 1 254.337 2.625 20 30 CFEDMN CC1(C)CN(Cc2cc(C#N)cs2)CCCO1 ZINC000611272383 351662623 /nfs/dbraw/zinc/66/26/23/351662623.db2.gz FCGQMXFSMQWUOO-UHFFFAOYSA-N 0 1 250.367 2.621 20 30 CFEDMN Cc1c(C#N)cccc1NC(=O)N1CCN(C2CCC2)CC1 ZINC000610905992 351620823 /nfs/dbraw/zinc/62/08/23/351620823.db2.gz LKTUZSNMGNAPLM-UHFFFAOYSA-N 0 1 298.390 2.569 20 30 CFEDMN Cc1cc(CNC(=O)N[C@@H](CCC#N)c2ccccc2)n[nH]1 ZINC000610973571 351627749 /nfs/dbraw/zinc/62/77/49/351627749.db2.gz GDOQDZBSQIEUBY-HNNXBMFYSA-N 0 1 297.362 2.562 20 30 CFEDMN CN(Cc1ccnc(C#N)c1)[C@@H](CCO)c1ccccc1 ZINC000610994453 351631475 /nfs/dbraw/zinc/63/14/75/351631475.db2.gz ZRPVWKGNPXRKIT-KRWDZBQOSA-N 0 1 281.359 2.509 20 30 CFEDMN C[C@H](NCc1ccnc(C#N)c1)c1cccc([N+](=O)[O-])c1 ZINC000611383178 351678070 /nfs/dbraw/zinc/67/80/70/351678070.db2.gz GBNRIAZCJLLYMZ-NSHDSACASA-N 0 1 282.303 2.712 20 30 CFEDMN C[C@@H]1CCN(CCC(=O)Nc2cccc(C#N)c2)C[C@@H]1F ZINC000611502109 351699624 /nfs/dbraw/zinc/69/96/24/351699624.db2.gz NPDWVYPDELWWIL-DOMZBBRYSA-N 0 1 289.354 2.567 20 30 CFEDMN C[C@@H](NCc1ccnc(C#N)c1)c1ccc([S@@](C)=O)cc1 ZINC000611799172 351742008 /nfs/dbraw/zinc/74/20/08/351742008.db2.gz HUDOXBKTQSLKGD-XUSGNXJCSA-N 0 1 299.399 2.541 20 30 CFEDMN C[C@]1(C#N)CCCN(CCCCCn2cccn2)C1 ZINC000612165386 351783515 /nfs/dbraw/zinc/78/35/15/351783515.db2.gz KVCKSGPRWFXLKW-OAHLLOKOSA-N 0 1 260.385 2.679 20 30 CFEDMN C[C@]1(C#N)CCCN(CCCOCC(F)(F)F)C1 ZINC000612165922 351784386 /nfs/dbraw/zinc/78/43/86/351784386.db2.gz RMHXOAJNILLVFZ-LLVKDONJSA-N 0 1 264.291 2.581 20 30 CFEDMN C=CCNC(=O)CN1CCC[C@@H](c2cc3ccccc3[nH]2)C1 ZINC000613734475 352003660 /nfs/dbraw/zinc/00/36/60/352003660.db2.gz NWOFPHHFKZDIBF-OAHLLOKOSA-N 0 1 297.402 2.650 20 30 CFEDMN Cc1cc(C#N)ccc1CN1CCC[C@H]1[C@H](O)C(F)(F)F ZINC000614398194 352089371 /nfs/dbraw/zinc/08/93/71/352089371.db2.gz NUVVAOWQSLEVNL-KBPBESRZSA-N 0 1 298.308 2.754 20 30 CFEDMN C#CCOc1ccc([C@H](C)NCc2cnn(CC)c2)cc1 ZINC000271469602 191155880 /nfs/dbraw/zinc/15/58/80/191155880.db2.gz IQFOCXYLZQFRAZ-AWEZNQCLSA-N 0 1 283.375 2.766 20 30 CFEDMN N#Cc1cc(CN[C@H](c2cccnc2)C2CC2)ccn1 ZINC000614991334 352139907 /nfs/dbraw/zinc/13/99/07/352139907.db2.gz MSVONVVAYLHHJS-INIZCTEOSA-N 0 1 264.332 2.589 20 30 CFEDMN N#C[C@]1(F)CCN(C(=O)c2cc(C3CCCCC3)[nH]n2)C1 ZINC000615591810 352215159 /nfs/dbraw/zinc/21/51/59/352215159.db2.gz RGOFIVCAMXXSTG-OAHLLOKOSA-N 0 1 290.342 2.535 20 30 CFEDMN C[C@]1(C#N)CCCN(C[C@H](O)C2CCCCC2)C1 ZINC000616113953 352286029 /nfs/dbraw/zinc/28/60/29/352286029.db2.gz KSGOIAKPFHCYDE-LSDHHAIUSA-N 0 1 250.386 2.553 20 30 CFEDMN C=CCOc1cccc(CN2CCCc3n[nH]cc3C2)c1 ZINC000668845405 539850967 /nfs/dbraw/zinc/85/09/67/539850967.db2.gz SUOIAJMRPFLROP-UHFFFAOYSA-N 0 1 283.375 2.923 20 30 CFEDMN N#Cc1ccc(CN2CCC[C@H](n3ccnc3)C2)cc1F ZINC000616752135 352427080 /nfs/dbraw/zinc/42/70/80/352427080.db2.gz DRLXBAAWRSFCKV-HNNXBMFYSA-N 0 1 284.338 2.731 20 30 CFEDMN C[C@H](c1cccnc1)N1CC[C@H](Oc2ccc(C#N)cn2)C1 ZINC000292063696 198149400 /nfs/dbraw/zinc/14/94/00/198149400.db2.gz CDUYPUSTMZSFTL-CJNGLKHVSA-N 0 1 294.358 2.563 20 30 CFEDMN N#Cc1ccc(O[C@H]2CCN(Cc3ccc(F)cc3)C2)nc1 ZINC000292084051 198157611 /nfs/dbraw/zinc/15/76/11/198157611.db2.gz DUSHVJUGQSBZFJ-INIZCTEOSA-N 0 1 297.333 2.746 20 30 CFEDMN C=CC[C@H]1CCCN(C(=O)c2cc(F)cc3nn[nH]c32)C1 ZINC000617779455 352642317 /nfs/dbraw/zinc/64/23/17/352642317.db2.gz BBPHGDVDZGAJMK-JTQLQIEISA-N 0 1 288.326 2.525 20 30 CFEDMN C=CC[C@@H]1CCCN(C(=O)c2cc(F)cc3nn[nH]c32)C1 ZINC000617779456 352642345 /nfs/dbraw/zinc/64/23/45/352642345.db2.gz BBPHGDVDZGAJMK-SNVBAGLBSA-N 0 1 288.326 2.525 20 30 CFEDMN C=CC[C@@H]1CCCN(C(=O)c2cccc3[nH]cnc32)C1 ZINC000617782347 352644693 /nfs/dbraw/zinc/64/46/93/352644693.db2.gz DEWFGIXDVPGGNG-GFCCVEGCSA-N 0 1 269.348 2.991 20 30 CFEDMN C=CCC1(NC(=O)[C@H]2CCc3[nH]cnc3C2)CCCC1 ZINC000619109973 352955420 /nfs/dbraw/zinc/95/54/20/352955420.db2.gz AHKFNJXMILCWEJ-LBPRGKRZSA-N 0 1 273.380 2.520 20 30 CFEDMN C=CCC1(NC(=O)c2ccc(CN(C)C)nc2)CCCC1 ZINC000619110946 352955915 /nfs/dbraw/zinc/95/59/15/352955915.db2.gz RUVZUXWITQJCGS-UHFFFAOYSA-N 0 1 287.407 2.762 20 30 CFEDMN N#Cc1ccc(F)c(CN2CCOC[C@H](C3CCC3)C2)c1 ZINC000292237907 198213340 /nfs/dbraw/zinc/21/33/40/198213340.db2.gz WKYWNPKQLWKTHV-MRXNPFEDSA-N 0 1 288.366 2.946 20 30 CFEDMN CC[N@H+]1CCN(C(=O)C[C@H](CC#N)c2ccccc2)C[C@@H]1C ZINC000619441041 353024446 /nfs/dbraw/zinc/02/44/46/353024446.db2.gz HCIYVKXYKBUBGP-RDJZCZTQSA-N 0 1 299.418 2.627 20 30 CFEDMN CCN1CCN(C(=O)C[C@H](CC#N)c2ccccc2)C[C@@H]1C ZINC000619441041 353024449 /nfs/dbraw/zinc/02/44/49/353024449.db2.gz HCIYVKXYKBUBGP-RDJZCZTQSA-N 0 1 299.418 2.627 20 30 CFEDMN N#CCC1(CNCc2cnc(-c3ccccc3)nc2)CC1 ZINC000619530047 353033308 /nfs/dbraw/zinc/03/33/08/353033308.db2.gz HPTDBFRAEUNJCL-UHFFFAOYSA-N 0 1 278.359 2.927 20 30 CFEDMN CCN1CCN(c2ccc(C(F)(F)F)c(C#N)n2)C[C@@H]1C ZINC000619697209 353052370 /nfs/dbraw/zinc/05/23/70/353052370.db2.gz ZOIUAILZQNXXIR-JTQLQIEISA-N 0 1 298.312 2.502 20 30 CFEDMN C=C(Cl)CN[C@@H](c1nnc[nH]1)C1CCCCC1 ZINC000292300082 198236108 /nfs/dbraw/zinc/23/61/08/198236108.db2.gz VSQDRHYRZZGELT-LLVKDONJSA-N 0 1 254.765 2.768 20 30 CFEDMN CC(C)N(Cc1ccnn1C)Cc1ccc(C#N)cc1 ZINC000154379973 188138865 /nfs/dbraw/zinc/13/88/65/188138865.db2.gz GOIUJGABSPTELW-UHFFFAOYSA-N 0 1 268.364 2.702 20 30 CFEDMN C=CC(C)(C)C(=O)NC[C@@H]1CCN1Cc1ccccc1 ZINC000620780703 353231666 /nfs/dbraw/zinc/23/16/66/353231666.db2.gz MICMLGGLDGBWGG-HNNXBMFYSA-N 0 1 272.392 2.589 20 30 CFEDMN N#CC1CCN(CCc2nc(-c3ccccc3)no2)CC1 ZINC000157677444 188331940 /nfs/dbraw/zinc/33/19/40/188331940.db2.gz MTENLWFGUYEFND-UHFFFAOYSA-N 0 1 282.347 2.515 20 30 CFEDMN CCc1nc(CN(Cc2ccc(C#N)cc2)C(C)C)n[nH]1 ZINC000157920942 188346984 /nfs/dbraw/zinc/34/69/84/188346984.db2.gz CZYGEXIYAGPFKN-UHFFFAOYSA-N 0 1 283.379 2.649 20 30 CFEDMN Cc1cc(C[C@@H](C)Nc2nc(C)c(C#N)cc2Cl)[nH]n1 ZINC000292623080 198354174 /nfs/dbraw/zinc/35/41/74/198354174.db2.gz NPJFOLKDAOMDJC-MRVPVSSYSA-N 0 1 289.770 2.990 20 30 CFEDMN C=CCN1CCC(Nc2nc(CCC)ns2)CC1 ZINC000292704844 198383190 /nfs/dbraw/zinc/38/31/90/198383190.db2.gz SGNBWUUHAUBWJZ-UHFFFAOYSA-N 0 1 266.414 2.553 20 30 CFEDMN C=CCCOCCNCc1cc(C)c(Br)cn1 ZINC000623473844 353651981 /nfs/dbraw/zinc/65/19/81/353651981.db2.gz KGQCLIASHWYWMA-UHFFFAOYSA-N 0 1 299.212 2.835 20 30 CFEDMN C=CCN(CC=C)C(=O)CN[C@H](C)c1ccc(OC)cc1 ZINC000271711186 191286112 /nfs/dbraw/zinc/28/61/12/191286112.db2.gz VCZKMYKATUKDDD-CQSZACIVSA-N 0 1 288.391 2.546 20 30 CFEDMN C=CC[C@H]1CCN(CC(=O)N[C@H](C)c2cccs2)C1 ZINC000625701299 354089141 /nfs/dbraw/zinc/08/91/41/354089141.db2.gz ONLHIEKCLMCXAE-OLZOCXBDSA-N 0 1 278.421 2.823 20 30 CFEDMN C=CC[C@H]1CCN(Cc2nncn2-c2ccccc2)C1 ZINC000625701241 354089396 /nfs/dbraw/zinc/08/93/96/354089396.db2.gz HXSQNQFOVHXRJG-AWEZNQCLSA-N 0 1 268.364 2.665 20 30 CFEDMN C=CCN[C@@H]1Cc2ccccc2O[C@H]1C(F)(F)F ZINC000625743474 354099395 /nfs/dbraw/zinc/09/93/95/354099395.db2.gz XSONXIJGPNUTNW-ZYHUDNBSSA-N 0 1 257.255 2.697 20 30 CFEDMN C=CCN(CC=C)C(=O)CN[C@@H](c1ccccn1)C1CCC1 ZINC000625783824 354109657 /nfs/dbraw/zinc/10/96/57/354109657.db2.gz VSDCBDBWWRQYEY-GOSISDBHSA-N 0 1 299.418 2.713 20 30 CFEDMN N#Cc1cccc(OC2CCN([C@H]3CCCNC3=O)CC2)c1 ZINC000328686958 202014482 /nfs/dbraw/zinc/01/44/82/202014482.db2.gz YQSMXBUEPOPLSA-INIZCTEOSA-N 0 1 299.374 2.520 20 30 CFEDMN C#CC[C@H](NCC(=O)N1CCCCCC1)c1ccccc1 ZINC000271747181 191302711 /nfs/dbraw/zinc/30/27/11/191302711.db2.gz WUKFLUVBZZCGEZ-KRWDZBQOSA-N 0 1 284.403 2.743 20 30 CFEDMN C=CC[C@H]1CCN(Cc2ncc(COC)s2)C1 ZINC000628406833 354579877 /nfs/dbraw/zinc/57/98/77/354579877.db2.gz RWCUFTPWAGKFFH-NSHDSACASA-N 0 1 252.383 2.688 20 30 CFEDMN C=CC[C@@H]1CCN(C(=O)c2cc(-c3ccoc3)[nH]n2)C1 ZINC000628485935 354603970 /nfs/dbraw/zinc/60/39/70/354603970.db2.gz XJGVCPRGJHCIBN-LLVKDONJSA-N 0 1 271.320 2.708 20 30 CFEDMN C=CC[C@@H]1CCN(C(=O)c2cccc3[nH]cnc32)C1 ZINC000628488859 354605307 /nfs/dbraw/zinc/60/53/07/354605307.db2.gz KDXQXZBTHLRCIS-LLVKDONJSA-N 0 1 255.321 2.601 20 30 CFEDMN N#Cc1cccc(C2(NCC(=O)N3CCCCCC3)CC2)c1 ZINC000271803757 191338095 /nfs/dbraw/zinc/33/80/95/191338095.db2.gz PQKCDRFFRLFHRL-UHFFFAOYSA-N 0 1 297.402 2.540 20 30 CFEDMN Cc1nn(C)cc1[C@H](C)NC1(c2cccc(C#N)c2)CC1 ZINC000272330589 191659708 /nfs/dbraw/zinc/65/97/08/191659708.db2.gz XVVHQFYFFSWYKB-LBPRGKRZSA-N 0 1 280.375 2.940 20 30 CFEDMN C=C1CC(C)(C(=O)Nc2ccc(-c3nnc[nH]3)cc2F)C1 ZINC000632786324 355743952 /nfs/dbraw/zinc/74/39/52/355743952.db2.gz GCYRJXAVKRTYMO-UHFFFAOYSA-N 0 1 286.310 2.906 20 30 CFEDMN C=CCCC(C)(C)CNC(=O)[C@H]1CCc2[nH]cnc2C1 ZINC000633966951 356047607 /nfs/dbraw/zinc/04/76/07/356047607.db2.gz WQMIREMQMZMFGV-LBPRGKRZSA-N 0 1 275.396 2.623 20 30 CFEDMN N#Cc1ccc(CN2CCC([C@H]3CCCOC3)CC2)o1 ZINC000367876325 283139573 /nfs/dbraw/zinc/13/95/73/283139573.db2.gz CZENZTVGDPOWGE-AWEZNQCLSA-N 0 1 274.364 2.790 20 30 CFEDMN N#Cc1cccc([N+](=O)[O-])c1CN1CC[C@H]2CCC[C@@H]21 ZINC000459419235 283212721 /nfs/dbraw/zinc/21/27/21/283212721.db2.gz BIZUNTRHEGCQNQ-RISCZKNCSA-N 0 1 271.320 2.841 20 30 CFEDMN CC#CCCN1CCN(Cc2cc(C)ccc2OC)CC1 ZINC000680882756 540274759 /nfs/dbraw/zinc/27/47/59/540274759.db2.gz XPUHQLYJIDBBPY-UHFFFAOYSA-N 0 1 286.419 2.535 20 30 CFEDMN C=CC(C)(C)C(=O)NC[C@@H](c1ccc(F)cc1)N(C)C ZINC000294450122 199044218 /nfs/dbraw/zinc/04/42/18/199044218.db2.gz MDCMCLUDRAGFFU-AWEZNQCLSA-N 0 1 278.371 2.757 20 30 CFEDMN C=CC(C)(C)C(=O)NC[C@H](c1cccc(OC)c1)N(C)C ZINC000294456822 199047731 /nfs/dbraw/zinc/04/77/31/199047731.db2.gz PGSZDBUXRFFGHJ-OAHLLOKOSA-N 0 1 290.407 2.626 20 30 CFEDMN C#CCO[C@H](C)C(=O)Nc1ccc2nc(C(C)(C)C)[nH]c2c1 ZINC000294535883 199076136 /nfs/dbraw/zinc/07/61/36/199076136.db2.gz USMCPYRFGVINLW-LLVKDONJSA-N 0 1 299.374 2.837 20 30 CFEDMN C=CCOCCNC1(c2nc(C)cs2)CCC1 ZINC000294635545 199116033 /nfs/dbraw/zinc/11/60/33/199116033.db2.gz PPEAGTRWWMZJKN-UHFFFAOYSA-N 0 1 252.383 2.623 20 30 CFEDMN C=CC[C@H](CO)NCc1c(F)cccc1OC(F)(F)F ZINC000671191419 540378599 /nfs/dbraw/zinc/37/85/99/540378599.db2.gz AKIIDIRFAGCCLN-SECBINFHSA-N 0 1 293.260 2.751 20 30 CFEDMN C=CCOCCN[C@H](c1nc(C)cs1)C1CC1 ZINC000294685143 199132878 /nfs/dbraw/zinc/13/28/78/199132878.db2.gz SUPZTFJKOMTNHL-LBPRGKRZSA-N 0 1 252.383 2.695 20 30 CFEDMN C#CCOc1ccc(CN[C@H](C)c2cnn(CC)c2)cc1 ZINC000294882131 199228822 /nfs/dbraw/zinc/22/88/22/199228822.db2.gz QFPMQQZLQDLFII-CQSZACIVSA-N 0 1 283.375 2.766 20 30 CFEDMN C=C(C)[C@@H](CO)N1CCC(CC(F)(F)F)CC1 ZINC000671252774 540608328 /nfs/dbraw/zinc/60/83/28/540608328.db2.gz ZYJZYZBLZARBHL-LLVKDONJSA-N 0 1 251.292 2.588 20 30 CFEDMN CCC#C[C@@H](C)N[C@@H](C)c1ccc(S(=O)(=O)CC)cc1 ZINC000671256276 540609873 /nfs/dbraw/zinc/60/98/73/540609873.db2.gz VTTMECNXKAZASS-KGLIPLIRSA-N 0 1 293.432 2.933 20 30 CFEDMN C=C(C)CN(CCC)CC(=O)Nc1ccccc1OC ZINC000052921245 540646950 /nfs/dbraw/zinc/64/69/50/540646950.db2.gz RNTLHXGJQYLTLO-UHFFFAOYSA-N 0 1 276.380 2.922 20 30 CFEDMN C#CCOc1ccc(CN2CC(C)(CCOC)C2)cc1 ZINC000297457659 200197517 /nfs/dbraw/zinc/19/75/17/200197517.db2.gz RFDCTMCKFQXBLG-UHFFFAOYSA-N 0 1 273.376 2.557 20 30 CFEDMN CCNC(=O)c1ccc(CNCc2ccc(C#N)s2)cc1 ZINC000176947964 189016455 /nfs/dbraw/zinc/01/64/55/189016455.db2.gz OIECKMUIAFUPAS-UHFFFAOYSA-N 0 1 299.399 2.659 20 30 CFEDMN Cc1nn(C)cc1[C@H](C)NCc1ccc(C#N)s1 ZINC000176963109 189017517 /nfs/dbraw/zinc/01/75/17/189017517.db2.gz VHPJXNRARVOMEQ-VIFPVBQESA-N 0 1 260.366 2.513 20 30 CFEDMN C=CCN(CCc1ccccc1)Cc1cncn1C ZINC000177025806 189022076 /nfs/dbraw/zinc/02/20/76/189022076.db2.gz NTJVZAKTRWIPHL-UHFFFAOYSA-N 0 1 255.365 2.651 20 30 CFEDMN C[C@@H]1CCN(CC(=O)Nc2cc(Cl)ccc2C#N)[C@@H]1C ZINC000177897123 189077970 /nfs/dbraw/zinc/07/79/70/189077970.db2.gz DBBUKGXUZSTCEK-GHMZBOCLSA-N 0 1 291.782 2.880 20 30 CFEDMN C=CCN(Cc1cnn(CC(F)(F)F)c1)C1CC1 ZINC000350316770 540759924 /nfs/dbraw/zinc/75/99/24/540759924.db2.gz LTCSBCLNBPENAP-UHFFFAOYSA-N 0 1 259.275 2.596 20 30 CFEDMN C=CCC[C@@H](C(=O)NOCC(C)(C)O)c1ccccc1 ZINC000299120345 200613877 /nfs/dbraw/zinc/61/38/77/200613877.db2.gz WVDMCPARXZDUKJ-CQSZACIVSA-N 0 1 277.364 2.555 20 30 CFEDMN C=CCNC(=O)CN[C@@H]1C[C@H](C)Sc2sccc21 ZINC000180036481 189233766 /nfs/dbraw/zinc/23/37/66/189233766.db2.gz SXCIEBUDXNWVHT-GXSJLCMTSA-N 0 1 282.434 2.565 20 30 CFEDMN N#Cc1ccc([C@H](O)CN(Cc2cccnc2)C2CC2)cc1 ZINC000180742272 189273119 /nfs/dbraw/zinc/27/31/19/189273119.db2.gz HLFJWQYQMVQIMY-GOSISDBHSA-N 0 1 293.370 2.651 20 30 CFEDMN CC(=O)c1ccc(C#N)cc1NCCN1CCCCC1 ZINC000302097617 201342328 /nfs/dbraw/zinc/34/23/28/201342328.db2.gz JVCIHYVPTGEDRM-UHFFFAOYSA-N 0 1 271.364 2.659 20 30 CFEDMN C=CCN(Cc1ccnn1-c1ccncc1)CC(F)(F)F ZINC000667553876 541255048 /nfs/dbraw/zinc/25/50/48/541255048.db2.gz CKZCOHHASFDQPV-UHFFFAOYSA-N 0 1 296.296 2.818 20 30 CFEDMN C=CCCCN(C)Cc1cc(C(F)(F)F)nn1C ZINC000667656754 541280909 /nfs/dbraw/zinc/28/09/09/541280909.db2.gz QOVSGCHOFXPSQH-UHFFFAOYSA-N 0 1 261.291 2.837 20 30 CFEDMN C=CCC[C@H](C(=O)NCCc1nc(C)n[nH]1)c1ccccc1 ZINC000275359775 193010308 /nfs/dbraw/zinc/01/03/08/193010308.db2.gz UAONSIVORNTDAI-HNNXBMFYSA-N 0 1 298.390 2.522 20 30 CFEDMN Cc1cc(CNCc2cccnc2N(C)C)ccc1C#N ZINC000443974617 241101294 /nfs/dbraw/zinc/10/12/94/241101294.db2.gz VNFFLLJBTPEOHC-UHFFFAOYSA-N 0 1 280.375 2.618 20 30 CFEDMN Cc1cc(CNCc2cccc3c2OCO3)ccc1C#N ZINC000443994469 241105071 /nfs/dbraw/zinc/10/50/71/241105071.db2.gz SQQGDXLQOUAPKZ-UHFFFAOYSA-N 0 1 280.327 2.885 20 30 CFEDMN C[C@@H](O)[C@@H]1C[C@H](C)CCN1Cc1cccc(C#N)c1F ZINC000443340337 241054298 /nfs/dbraw/zinc/05/42/98/241054298.db2.gz ASDLNCHWORFMCG-JMSVASOKSA-N 0 1 276.355 2.679 20 30 CFEDMN C[C@@H]1CN(CCCOc2cccc(C#N)c2)[C@H](C)[C@H](C)O1 ZINC000446083974 241277945 /nfs/dbraw/zinc/27/79/45/241277945.db2.gz SQKXNGYASAEIOD-KFWWJZLASA-N 0 1 288.391 2.825 20 30 CFEDMN Cc1ccc(F)c(CCNCc2nc(C#N)cs2)c1 ZINC000449552629 242023924 /nfs/dbraw/zinc/02/39/24/242023924.db2.gz JYLJPONOHKCHGW-UHFFFAOYSA-N 0 1 275.352 2.795 20 30 CFEDMN CC(C)OCCOC1CCN(Cc2ccc(C#N)o2)CC1 ZINC000449730733 242122611 /nfs/dbraw/zinc/12/26/11/242122611.db2.gz RUFASQSOKGPVMB-UHFFFAOYSA-N 0 1 292.379 2.557 20 30 CFEDMN Cc1cc(CNc2ccc3c(n2)CCC3)ccc1C#N ZINC000449665888 242096547 /nfs/dbraw/zinc/09/65/47/242096547.db2.gz OEYPTVITZVGXNQ-UHFFFAOYSA-N 0 1 263.344 2.784 20 30 CFEDMN C=CC(C)(C)C(=O)N1CCN(CCC(C)(C)C)CC1 ZINC000448763311 261135250 /nfs/dbraw/zinc/13/52/50/261135250.db2.gz HYZKGFIARHITIF-UHFFFAOYSA-N 0 1 266.429 2.779 20 30 CFEDMN Cc1cc(C[C@@H](C)NC(=O)Nc2cc(C)cc(C#N)c2)n[nH]1 ZINC000455949929 244037135 /nfs/dbraw/zinc/03/71/35/244037135.db2.gz DWYXQVPYRYRPEJ-LLVKDONJSA-N 0 1 297.362 2.651 20 30 CFEDMN C=CCCN(C)CC(=O)Nc1ccc(OCC)cc1 ZINC000276450098 193336249 /nfs/dbraw/zinc/33/62/49/193336249.db2.gz PNKZKLGMSVVERB-UHFFFAOYSA-N 0 1 262.353 2.532 20 30 CFEDMN C=CCCN(C)CC(=O)N(c1ccccc1)C(C)C ZINC000276422793 193324798 /nfs/dbraw/zinc/32/47/98/193324798.db2.gz MUFVMQNZMQTBPA-UHFFFAOYSA-N 0 1 260.381 2.936 20 30 CFEDMN C=CCCN(C)CC(=O)Nc1ccccc1OC(F)F ZINC000276486542 193350887 /nfs/dbraw/zinc/35/08/87/193350887.db2.gz UHIFZUWIAPSBSC-UHFFFAOYSA-N 0 1 284.306 2.734 20 30 CFEDMN CCOC[C@H]1CCCCN1Cc1ccc(C#N)cc1OC ZINC000459698451 245277376 /nfs/dbraw/zinc/27/73/76/245277376.db2.gz CBVODVIROFYZET-MRXNPFEDSA-N 0 1 288.391 2.958 20 30 CFEDMN C[C@H](CN(C)Cc1ccccc1C#N)C(=O)OC(C)(C)C ZINC000459782859 245324699 /nfs/dbraw/zinc/32/46/99/245324699.db2.gz YHDWNFMXBBBSRE-CYBMUJFWSA-N 0 1 288.391 2.968 20 30 CFEDMN N#Cc1ccc(CSc2nc(C3CC3)n[nH]2)cc1 ZINC000012992189 372007793 /nfs/dbraw/zinc/00/77/93/372007793.db2.gz IHJFRKILZMJVKH-UHFFFAOYSA-N 0 1 256.334 2.846 20 30 CFEDMN N#Cc1ccc(CSc2n[nH]c(C3CC3)n2)cc1 ZINC000012992189 372007798 /nfs/dbraw/zinc/00/77/98/372007798.db2.gz IHJFRKILZMJVKH-UHFFFAOYSA-N 0 1 256.334 2.846 20 30 CFEDMN Cc1ccc(C)c(NS(=O)(=O)c2ccccc2C#N)c1 ZINC000016099566 372100099 /nfs/dbraw/zinc/10/00/99/372100099.db2.gz UJFNCLLVCBXEEI-UHFFFAOYSA-N 0 1 286.356 2.976 20 30 CFEDMN C=CCNC(=O)CN[C@@H](c1ccccc1)c1ccc(C)cc1 ZINC000025409485 372298660 /nfs/dbraw/zinc/29/86/60/372298660.db2.gz GGQBWEYEUGPUDV-IBGZPJMESA-N 0 1 294.398 2.976 20 30 CFEDMN CC[C@H]1CCCN(CC(=O)Nc2cccc(C#N)c2)C1 ZINC000030141748 372389261 /nfs/dbraw/zinc/38/92/61/372389261.db2.gz BHSUFORAHNAMKT-ZDUSSCGKSA-N 0 1 271.364 2.619 20 30 CFEDMN N#CC1CCN(CCOc2cccc(Cl)c2)CC1 ZINC000032113798 372428659 /nfs/dbraw/zinc/42/86/59/372428659.db2.gz WQZGCRUJYKDWNK-UHFFFAOYSA-N 0 1 264.756 2.954 20 30 CFEDMN C[C@H](NCC(=O)N1CCCCCC1)c1ccc(C#N)cc1 ZINC000037749615 372697407 /nfs/dbraw/zinc/69/74/07/372697407.db2.gz JVORLDNHZKVSHI-AWEZNQCLSA-N 0 1 285.391 2.611 20 30 CFEDMN COc1ncccc1CN[C@@H](C)c1cccc(C#N)c1 ZINC000037650176 372686357 /nfs/dbraw/zinc/68/63/57/372686357.db2.gz HWNWIFSRNSGIFN-LBPRGKRZSA-N 0 1 267.332 2.813 20 30 CFEDMN COc1ncccc1CN[C@H](C)c1ccc(C#N)cc1 ZINC000037650452 372686675 /nfs/dbraw/zinc/68/66/75/372686675.db2.gz GAZJIYSHZHVZHJ-GFCCVEGCSA-N 0 1 267.332 2.813 20 30 CFEDMN N#Cc1ccc(CNCc2ccccc2[N+](=O)[O-])cc1 ZINC000037895102 372734643 /nfs/dbraw/zinc/73/46/43/372734643.db2.gz AHDRDIBZJGTYTE-UHFFFAOYSA-N 0 1 267.288 2.756 20 30 CFEDMN C=C(C)CN(CC)CC(=O)NCC1(c2ccccc2)CC1 ZINC000042289584 372900060 /nfs/dbraw/zinc/90/00/60/372900060.db2.gz BSKZPAIUDRGCAT-UHFFFAOYSA-N 0 1 286.419 2.732 20 30 CFEDMN C=CCN(CC=C)C(=O)c1ccc(CN(CC)CC)o1 ZINC000044036745 372998716 /nfs/dbraw/zinc/99/87/16/372998716.db2.gz DKHWZTAQQOYFNK-UHFFFAOYSA-N 0 1 276.380 2.936 20 30 CFEDMN C=CCN(CCC(=O)NCC)Cc1ccc(Cl)s1 ZINC000046502977 373054512 /nfs/dbraw/zinc/05/45/12/373054512.db2.gz ATISBKNGQMYDBD-UHFFFAOYSA-N 0 1 286.828 2.916 20 30 CFEDMN CCC(C#N)(CC)C(=O)Nc1nc2ccc(F)cc2[nH]1 ZINC000529199035 383688238 /nfs/dbraw/zinc/68/82/38/383688238.db2.gz MRXDGUXRRYWKPT-UHFFFAOYSA-N 0 1 274.299 2.970 20 30 CFEDMN COc1cc(CN[C@@H](C)c2ccc(C#N)cc2)ccn1 ZINC000062057822 373744473 /nfs/dbraw/zinc/74/44/73/373744473.db2.gz OGXICNQHSROBNM-LBPRGKRZSA-N 0 1 267.332 2.813 20 30 CFEDMN CC(C)N(C)CC(=O)Nc1cccc(OCCCC#N)c1 ZINC000063582199 373808871 /nfs/dbraw/zinc/80/88/71/373808871.db2.gz NFSYENPZFQCAKU-UHFFFAOYSA-N 0 1 289.379 2.648 20 30 CFEDMN COCCCN(Cc1ccncc1)Cc1cccc(C#N)c1 ZINC000289533400 197393733 /nfs/dbraw/zinc/39/37/33/197393733.db2.gz WEDOIIKEBNIQAS-UHFFFAOYSA-N 0 1 295.386 2.992 20 30 CFEDMN CCn1nc(C)c(CNCc2cccc(C#N)c2)c1C ZINC000066995537 373967695 /nfs/dbraw/zinc/96/76/95/373967695.db2.gz FWHSVTXRUPRYJX-UHFFFAOYSA-N 0 1 268.364 2.681 20 30 CFEDMN CCN(CCNc1cccc(C#N)n1)CCC(F)(F)F ZINC000491823083 246091603 /nfs/dbraw/zinc/09/16/03/246091603.db2.gz ZADKKOQTQVWABI-UHFFFAOYSA-N 0 1 286.301 2.639 20 30 CFEDMN C=C(C)CN1CCN(Cc2ccc(OCC)cc2)CC1 ZINC000073107721 374321633 /nfs/dbraw/zinc/32/16/33/374321633.db2.gz RECVXNHFFXQUSZ-UHFFFAOYSA-N 0 1 274.408 2.779 20 30 CFEDMN C#Cc1cccc(NC(=O)CN(C)C[C@H](C)CC)c1 ZINC000088496769 374848231 /nfs/dbraw/zinc/84/82/31/374848231.db2.gz JXZQRWUDFMSMQS-CYBMUJFWSA-N 0 1 258.365 2.584 20 30 CFEDMN CN(Cc1cc(C#N)ccc1F)[C@H](CO)CC(C)(C)C ZINC000451781935 383705848 /nfs/dbraw/zinc/70/58/48/383705848.db2.gz QDZZWOIMPPZCQJ-AWEZNQCLSA-N 0 1 278.371 2.926 20 30 CFEDMN N#Cc1ccc2ncc(CN3CCC[C@@H]4CCC[C@@H]43)n2c1 ZINC000092485564 375113432 /nfs/dbraw/zinc/11/34/32/375113432.db2.gz NGWDLZDILKQOCC-HOCLYGCPSA-N 0 1 280.375 2.970 20 30 CFEDMN N#Cc1ccc(CN2CCC(C3CCOCC3)CC2)o1 ZINC000093705019 375299316 /nfs/dbraw/zinc/29/93/16/375299316.db2.gz JYAAPDDMSLUPFU-UHFFFAOYSA-N 0 1 274.364 2.790 20 30 CFEDMN Cc1ccoc1C(=O)C(C#N)c1nc2ccccc2n1C ZINC000097261718 375546382 /nfs/dbraw/zinc/54/63/82/375546382.db2.gz JSFXDGDDAYLTKL-NSHDSACASA-N 0 1 279.299 2.965 20 30 CFEDMN N#Cc1cc(NC(=O)Cc2n[nH]c3ccccc23)ccc1F ZINC000102879287 375698118 /nfs/dbraw/zinc/69/81/18/375698118.db2.gz XAXLMOVLSVFJHW-UHFFFAOYSA-N 0 1 294.289 2.755 20 30 CFEDMN C=CCCC[C@H](C)N1CCN(C(=O)N2CCCCC2)CC1 ZINC000678714495 542060301 /nfs/dbraw/zinc/06/03/01/542060301.db2.gz DMSIXESNBIIVEK-INIZCTEOSA-N 0 1 293.455 2.955 20 30 CFEDMN C=CC1CCN([C@H](C)C(=O)Nc2cccc(C#N)c2)CC1 ZINC000111257763 375835677 /nfs/dbraw/zinc/83/56/77/375835677.db2.gz GRASOUIBCPTBKI-CYBMUJFWSA-N 0 1 283.375 2.783 20 30 CFEDMN C=C(C)[C@@H](CO)N[C@H](CC)c1ccc(F)cc1F ZINC000678782542 542069167 /nfs/dbraw/zinc/06/91/67/542069167.db2.gz IANDROKEABLPOA-ZIAGYGMSSA-N 0 1 255.308 2.943 20 30 CFEDMN C[C@@H](C(=O)NC1(C#N)CCCCC1)N1CCCC(C)(C)C1 ZINC000112701673 375947829 /nfs/dbraw/zinc/94/78/29/375947829.db2.gz GFRQMHUMTNGBGI-AWEZNQCLSA-N 0 1 291.439 2.840 20 30 CFEDMN CCN(Cc1ccnn1C)[C@@H](C)c1ccc(C#N)cc1 ZINC000119871524 376492873 /nfs/dbraw/zinc/49/28/73/376492873.db2.gz DOCOUGVIEBXAQY-ZDUSSCGKSA-N 0 1 268.364 2.875 20 30 CFEDMN C=C(C)CN(C)C(=O)c1ccc(CN(CC)CC)o1 ZINC000679204388 542134084 /nfs/dbraw/zinc/13/40/84/542134084.db2.gz BBCOWTJYGXOHID-UHFFFAOYSA-N 0 1 264.369 2.770 20 30 CFEDMN C=C(C)COCCNCc1nc2cc(Cl)ccc2n1C ZINC000124888839 377099603 /nfs/dbraw/zinc/09/96/03/377099603.db2.gz TZNPGHRQHVCHMF-UHFFFAOYSA-N 0 1 293.798 2.909 20 30 CFEDMN CC1(C)CC[C@@H]1NCc1nnc(-c2cccc(C#N)c2)o1 ZINC000571697129 383718442 /nfs/dbraw/zinc/71/84/42/383718442.db2.gz CEQQTBZCSFBMHO-ZDUSSCGKSA-N 0 1 282.347 2.886 20 30 CFEDMN COc1cccc(CNC2CC(C#N)(c3ccccc3)C2)n1 ZINC000126726754 377244939 /nfs/dbraw/zinc/24/49/39/377244939.db2.gz GEAFSTYGKZPSFA-UHFFFAOYSA-N 0 1 293.370 2.804 20 30 CFEDMN C=C(C)CN(CC)[C@H](C)C(=O)NCc1cccc(OC)c1 ZINC000125936285 377202352 /nfs/dbraw/zinc/20/23/52/377202352.db2.gz XQTOLLHODFJBOI-CQSZACIVSA-N 0 1 290.407 2.598 20 30 CFEDMN CC(C)C(N)=NOCc1ccc(C#N)cc1Br ZINC000128470606 377338730 /nfs/dbraw/zinc/33/87/30/377338730.db2.gz JLTUXCLNVOPMLQ-UHFFFAOYSA-N 0 1 296.168 2.766 20 30 CFEDMN N#Cc1ccc(CN2CC[C@H](Oc3cccnc3)C2)s1 ZINC000131350358 377698590 /nfs/dbraw/zinc/69/85/90/377698590.db2.gz BFUYNCKOBUXNHH-ZDUSSCGKSA-N 0 1 285.372 2.668 20 30 CFEDMN CC(C)C(N)=NOCc1ccc(OC(F)F)cc1 ZINC000133654111 377947458 /nfs/dbraw/zinc/94/74/58/377947458.db2.gz FODYCKCQZPWBCM-UHFFFAOYSA-N 0 1 258.268 2.733 20 30 CFEDMN CC(C)C(N)=NOCc1nc(C(C)(C)C)cs1 ZINC000133687199 377949749 /nfs/dbraw/zinc/94/97/49/377949749.db2.gz UZKPDPZRVAUXGE-UHFFFAOYSA-N 0 1 255.387 2.885 20 30 CFEDMN Cc1ccc(C#N)cc1NC(=O)[C@@H]1CCCc2[nH]ncc21 ZINC000133930571 377968993 /nfs/dbraw/zinc/96/89/93/377968993.db2.gz GCKTYCUGMSVFJJ-GFCCVEGCSA-N 0 1 280.331 2.648 20 30 CFEDMN N#Cc1cccc(OCCCN2CCOCC23CCC3)c1 ZINC000135518606 378142142 /nfs/dbraw/zinc/14/21/42/378142142.db2.gz BOAYSVYTOQFPKN-UHFFFAOYSA-N 0 1 286.375 2.582 20 30 CFEDMN Cn1cc(-c2cccc(CNCc3ccc(C#N)o3)c2)cn1 ZINC000136110579 378180837 /nfs/dbraw/zinc/18/08/37/378180837.db2.gz CGJKDUQSXGFQCP-UHFFFAOYSA-N 0 1 292.342 2.842 20 30 CFEDMN CC1(C)CCC[C@H]1C(=O)NC1(c2nnc[nH]2)CCC1 ZINC000329357273 378458531 /nfs/dbraw/zinc/45/85/31/378458531.db2.gz WNNVVGDBHOZLHS-JTQLQIEISA-N 0 1 262.357 2.967 20 30 CFEDMN C[C@H](NC(=O)N[C@@H]1CC[C@@H]2CCCC[C@H]2C1)c1nnc[nH]1 ZINC000329581977 378464615 /nfs/dbraw/zinc/46/46/15/378464615.db2.gz XFUXEWDVYWLMID-ZDEQEGDKSA-N 0 1 291.399 2.728 20 30 CFEDMN C=C(C)CN(CC)[C@@H](C)C(=O)Nc1nc(C)c(C)s1 ZINC000152517880 378424681 /nfs/dbraw/zinc/42/46/81/378424681.db2.gz UJTRYFYZNATEQD-NSHDSACASA-N 0 1 281.425 2.985 20 30 CFEDMN C[C@H](Cn1ccnc1)[NH+]=C([O-])N1CCCC12CCCCC2 ZINC000328803501 378427913 /nfs/dbraw/zinc/42/79/13/378427913.db2.gz BHJPDUKDJXHRHH-CQSZACIVSA-N 0 1 290.411 2.984 20 30 CFEDMN O=C(N[C@H](CO)CC1CCCC1)c1ccc2cncn2c1 ZINC000328799330 378427944 /nfs/dbraw/zinc/42/79/44/378427944.db2.gz HCPJVZDBUDJOIW-AWEZNQCLSA-N 0 1 287.363 2.580 20 30 CFEDMN C[C@@H]1CC(CNC(=O)[C@@H]2CCCc3[nH]ncc32)C[C@@H](C)O1 ZINC000328910496 378439718 /nfs/dbraw/zinc/43/97/18/378439718.db2.gz FQLFPPFUUCTDRU-NQBHXWOUSA-N 0 1 291.395 2.990 20 30 CFEDMN C[C@@H]1CCSCCN1C(=O)N[C@@H]1CCCc2cn[nH]c21 ZINC000330036556 378521884 /nfs/dbraw/zinc/52/18/84/378521884.db2.gz COFYWJZAGNFUJR-ZYHUDNBSSA-N 0 1 294.424 2.529 20 30 CFEDMN CC[C@@H]1C[C@H](C(=O)NCC[N@@H+]2CC=C(C)CC2)CC(=O)N1 ZINC000329702358 378484095 /nfs/dbraw/zinc/48/40/95/378484095.db2.gz HUTFVWZOOYKJKF-UONOGXRCSA-N 0 1 293.411 2.740 20 30 CFEDMN CC[C@@H]1C[C@H](C(=O)NCCN2CC=C(C)CC2)CC(=O)N1 ZINC000329702358 378484108 /nfs/dbraw/zinc/48/41/08/378484108.db2.gz HUTFVWZOOYKJKF-UONOGXRCSA-N 0 1 293.411 2.740 20 30 CFEDMN Cc1ccc2nc(CNC(=O)C[C@H]3CCOC3)[nH]c2c1 ZINC000329798211 378497637 /nfs/dbraw/zinc/49/76/37/378497637.db2.gz HRAURMHTJDDNTL-LLVKDONJSA-N 0 1 273.336 2.754 20 30 CFEDMN CC[C@@H]1CCCN(C([O-])=[NH+][C@H]2CCc3c[nH]nc3C2)CC1 ZINC000329833292 378502551 /nfs/dbraw/zinc/50/25/51/378502551.db2.gz GKHCXYVDYPUFKU-OCCSQVGLSA-N 0 1 290.411 2.693 20 30 CFEDMN C[C@@H]1CCCC[C@@H]1CNC([O-])=[NH+][C@H]1CCc2c[nH]nc2C1 ZINC000329848208 378504642 /nfs/dbraw/zinc/50/46/42/378504642.db2.gz RJUXNHBKRSDENL-BZPMIXESSA-N 0 1 290.411 2.597 20 30 CFEDMN CC1CCN(CC(=O)Nc2cccc3c[nH]nc32)CC1 ZINC000329944544 378515940 /nfs/dbraw/zinc/51/59/40/378515940.db2.gz WTIMVMXIRUXELX-UHFFFAOYSA-N 0 1 272.352 2.883 20 30 CFEDMN Cc1nc2cccc(C(=O)NC[C@@](C)(O)C(C)C)c2[nH]1 ZINC000330419825 378550458 /nfs/dbraw/zinc/55/04/58/378550458.db2.gz COEDURCNJXQOFN-OAHLLOKOSA-N 0 1 275.352 2.583 20 30 CFEDMN CN(CCCC(C)(C)C#N)Cc1nc(-c2cccnc2)no1 ZINC000154432253 378565931 /nfs/dbraw/zinc/56/59/31/378565931.db2.gz XUTWMPIMAOVLTE-UHFFFAOYSA-N 0 1 299.378 2.893 20 30 CFEDMN C#CCN1CCC(C(=O)N2CCCCC[C@@H]2CC)CC1 ZINC000155765297 378631942 /nfs/dbraw/zinc/63/19/42/378631942.db2.gz PVIVNPSZNXYIEX-INIZCTEOSA-N 0 1 276.424 2.513 20 30 CFEDMN CCCCCCC[N@H+]1CCCN(Cc2noc(C)n2)CC1 ZINC000157970895 378663256 /nfs/dbraw/zinc/66/32/56/378663256.db2.gz WBPCXBOHROAPSL-UHFFFAOYSA-N 0 1 294.443 2.856 20 30 CFEDMN CC#CCCN1CCO[C@@H](CCc2ccccc2)C1 ZINC000158113706 378664544 /nfs/dbraw/zinc/66/45/44/378664544.db2.gz ZASPPNARWZUSII-KRWDZBQOSA-N 0 1 257.377 2.733 20 30 CFEDMN CC(C)[C@@](C)(C#N)NC(=O)CN1CCC2(CCCC2)CC1 ZINC000158416948 378667824 /nfs/dbraw/zinc/66/78/24/378667824.db2.gz IJWXHSHWUAQGQX-MRXNPFEDSA-N 0 1 291.439 2.697 20 30 CFEDMN C[C@@H]1CCN(Cc2nnc(-c3cccc(C#N)c3)o2)[C@@H]1C ZINC000332185909 378734145 /nfs/dbraw/zinc/73/41/45/378734145.db2.gz WTXKCOKDKNGIRT-VXGBXAGGSA-N 0 1 282.347 2.839 20 30 CFEDMN C=C(C)CNC(=O)NC[C@H](c1ccco1)N1CCCCC1 ZINC000161142140 378826150 /nfs/dbraw/zinc/82/61/50/378826150.db2.gz CJFJKDNUWBJADH-CQSZACIVSA-N 0 1 291.395 2.682 20 30 CFEDMN C=CCOc1ccccc1CNCc1cnn(C)c1C ZINC000162213227 378900869 /nfs/dbraw/zinc/90/08/69/378900869.db2.gz HEXIXKAUDWEFTM-UHFFFAOYSA-N 0 1 271.364 2.583 20 30 CFEDMN C#C[C@H](C)NCc1ccc(Br)cc1F ZINC000166514673 379058165 /nfs/dbraw/zinc/05/81/65/379058165.db2.gz RFUOWDWURRPWOH-QMMMGPOBSA-N 0 1 256.118 2.700 20 30 CFEDMN CC[C@]1(O)CCN(Cc2ccc(C#N)cc2Cl)C1 ZINC000334374184 379182420 /nfs/dbraw/zinc/18/24/20/379182420.db2.gz CRNAWSXWVGNIEL-AWEZNQCLSA-N 0 1 264.756 2.558 20 30 CFEDMN CC[C@@](C)(C#N)C(=O)Nc1nc2ccc(C)cc2[nH]1 ZINC000334379310 379191478 /nfs/dbraw/zinc/19/14/78/379191478.db2.gz YJBIYBTUGZLTSO-AWEZNQCLSA-N 0 1 256.309 2.750 20 30 CFEDMN CC(C)(C)[C@@H]1CC[N@@H+](Cc2ccc(C#N)s2)C[C@H]1O ZINC000334502553 379406870 /nfs/dbraw/zinc/40/68/70/379406870.db2.gz BKBGNIJDWHUXHG-ZIAGYGMSSA-N 0 1 278.421 2.849 20 30 CFEDMN CC(C)(C)[C@@H]1CCN(Cc2ccc(C#N)s2)C[C@H]1O ZINC000334502553 379406874 /nfs/dbraw/zinc/40/68/74/379406874.db2.gz BKBGNIJDWHUXHG-ZIAGYGMSSA-N 0 1 278.421 2.849 20 30 CFEDMN CC(C)n1cc(CNCc2cccc(C#N)c2)cn1 ZINC000171840126 379418819 /nfs/dbraw/zinc/41/88/19/379418819.db2.gz JEJPGHSIFFUKAE-UHFFFAOYSA-N 0 1 254.337 2.625 20 30 CFEDMN Cn1cc2c(n1)CCC[C@H]2NCc1ccc(C#N)c(F)c1 ZINC000334675475 379749261 /nfs/dbraw/zinc/74/92/61/379749261.db2.gz NKHGJIQEOKOMNI-OAHLLOKOSA-N 0 1 284.338 2.598 20 30 CFEDMN Cc1ccc(C#N)cc1NS(=O)(=O)c1ccsc1 ZINC000335731770 379797775 /nfs/dbraw/zinc/79/77/75/379797775.db2.gz FUIYARONZSWBRL-UHFFFAOYSA-N 0 1 278.358 2.729 20 30 CFEDMN C[C@H](NCc1ccc(C#N)o1)[C@H](O)c1ccc(F)cc1 ZINC000174401972 379879112 /nfs/dbraw/zinc/87/91/12/379879112.db2.gz OJULEPQYVBQYHY-BONVTDFDSA-N 0 1 274.295 2.502 20 30 CFEDMN C[C@H](NCc1ccc(C#N)o1)[C@@H](O)c1ccc(F)cc1 ZINC000174401996 379879364 /nfs/dbraw/zinc/87/93/64/379879364.db2.gz OJULEPQYVBQYHY-ZUZCIYMTSA-N 0 1 274.295 2.502 20 30 CFEDMN C=C(C)C(C)(C)C(=O)N1C[C@@H]2CCCCN2C[C@H]1C ZINC000335093150 379972253 /nfs/dbraw/zinc/97/22/53/379972253.db2.gz HTSWPKDDQKYOQI-KGLIPLIRSA-N 0 1 264.413 2.674 20 30 CFEDMN C=C(C)CN(CC)C(=O)CSc1n[nH]c(=S)s1 ZINC000174977964 379973067 /nfs/dbraw/zinc/97/30/67/379973067.db2.gz VYXRQLXYYZARLQ-UHFFFAOYSA-N 0 1 289.451 2.717 20 30 CFEDMN Cc1c[nH]nc1CN[C@@H]1CCCc2cc(C#N)ccc21 ZINC000334951517 379947324 /nfs/dbraw/zinc/94/73/24/379947324.db2.gz LSEHNSVDJWLIIW-OAHLLOKOSA-N 0 1 266.348 2.757 20 30 CFEDMN C=CCCCC(=O)NC[C@H](c1cccc(F)c1)N(C)C ZINC000175096231 379996595 /nfs/dbraw/zinc/99/65/95/379996595.db2.gz PVYDNJJJOUKTMW-OAHLLOKOSA-N 0 1 278.371 2.901 20 30 CFEDMN Cc1nn(C)cc1CN1CC=C(c2ccc(C#N)cc2)CC1 ZINC000335860927 380010418 /nfs/dbraw/zinc/01/04/18/380010418.db2.gz PATDQPNPBSGMBD-UHFFFAOYSA-N 0 1 292.386 2.890 20 30 CFEDMN Cc1cc(C#N)cc(NC(=O)c2cn[nH]c2C(C)C)c1 ZINC000335211189 380013899 /nfs/dbraw/zinc/01/38/99/380013899.db2.gz UURSOZBJMVKQJO-UHFFFAOYSA-N 0 1 268.320 2.966 20 30 CFEDMN C#CCN1CCC(C(=O)O[C@@H](C)c2ccc(C#N)cc2)CC1 ZINC000175801621 380134520 /nfs/dbraw/zinc/13/45/20/380134520.db2.gz HWZFSVVZKDGJJI-AWEZNQCLSA-N 0 1 296.370 2.508 20 30 CFEDMN Cc1sc(NC(=O)CN(C)CC2CCC2)c(C#N)c1C ZINC000177160671 380311491 /nfs/dbraw/zinc/31/14/91/380311491.db2.gz DAESKNQQAQAIAM-UHFFFAOYSA-N 0 1 291.420 2.907 20 30 CFEDMN C=C1CCN(C(=O)CCc2nc3cccc(C)c3[nH]2)CC1 ZINC000336415724 380341946 /nfs/dbraw/zinc/34/19/46/380341946.db2.gz YPXYRDJUJMQXSS-UHFFFAOYSA-N 0 1 283.375 2.983 20 30 CFEDMN C=CCCCNCc1c(Cl)cccc1S(C)(=O)=O ZINC000279090116 194279769 /nfs/dbraw/zinc/27/97/69/194279769.db2.gz ICVFPYBCXDWOSN-UHFFFAOYSA-N 0 1 287.812 2.799 20 30 CFEDMN Cc1c(C#N)cccc1NC(=O)N1CC[N@H+]2CCCC[C@H]2C1 ZINC000178579330 380466265 /nfs/dbraw/zinc/46/62/65/380466265.db2.gz HBQNMRMQVBJSSU-HNNXBMFYSA-N 0 1 298.390 2.569 20 30 CFEDMN Cc1c(C#N)cccc1NC(=O)N1CCN2CCCC[C@H]2C1 ZINC000178579330 380466273 /nfs/dbraw/zinc/46/62/73/380466273.db2.gz HBQNMRMQVBJSSU-HNNXBMFYSA-N 0 1 298.390 2.569 20 30 CFEDMN C[C@H](CC#N)N(C)Cc1cnc(-c2ccccc2)[nH]1 ZINC000179452354 380545550 /nfs/dbraw/zinc/54/55/50/380545550.db2.gz UXEAVWYXGNRZBG-GFCCVEGCSA-N 0 1 254.337 2.811 20 30 CFEDMN C=C(CC)CN1CCCN(CC(F)(F)F)CC1 ZINC000358495272 380881682 /nfs/dbraw/zinc/88/16/82/380881682.db2.gz HTQRRCDFMUHHNW-UHFFFAOYSA-N 0 1 250.308 2.523 20 30 CFEDMN C=C(CC)CN(C)Cc1ccc([S@](C)=O)cc1 ZINC000358495927 380881705 /nfs/dbraw/zinc/88/17/05/380881705.db2.gz IIGLKFIMHWYZAS-KRWDZBQOSA-N 0 1 251.395 2.822 20 30 CFEDMN C#CC(C)(C)N(C)Cc1cnn(-c2ccccc2)c1 ZINC000279244549 194349241 /nfs/dbraw/zinc/34/92/41/194349241.db2.gz KLPWXTXTKYXQML-UHFFFAOYSA-N 0 1 253.349 2.716 20 30 CFEDMN C=C(CC)CN1CCN(c2nc(C)c(C)s2)CC1 ZINC000358615044 380969609 /nfs/dbraw/zinc/96/96/09/380969609.db2.gz CXPPXRNTJUIKSN-UHFFFAOYSA-N 0 1 265.426 2.848 20 30 CFEDMN C=C(CC)CN(CC)CC(=O)NCc1ccc(F)cc1 ZINC000358626318 380976477 /nfs/dbraw/zinc/97/64/77/380976477.db2.gz RPBXVYQKFFPSDI-UHFFFAOYSA-N 0 1 278.371 2.730 20 30 CFEDMN C=CCN(CCc1ccccc1)[C@@H](C)C(=O)NCCC ZINC000411193865 381016115 /nfs/dbraw/zinc/01/61/15/381016115.db2.gz FTWKEQQHSQBDCZ-HNNXBMFYSA-N 0 1 274.408 2.632 20 30 CFEDMN C=CCN(CCc1ccccc1)[C@H](C)C(=O)NCC(C)C ZINC000411204135 381017637 /nfs/dbraw/zinc/01/76/37/381017637.db2.gz ZYSBEPHDUYYIEZ-MRXNPFEDSA-N 0 1 288.435 2.878 20 30 CFEDMN C=CCN(CCc1ccccc1)[C@@H](C)C(=O)NCC(C)C ZINC000411204134 381019194 /nfs/dbraw/zinc/01/91/94/381019194.db2.gz ZYSBEPHDUYYIEZ-INIZCTEOSA-N 0 1 288.435 2.878 20 30 CFEDMN C[C@H](CC[NH+](C)[C@@H](C)CC#N)CC[N@H+](C)[C@H](C)CC#N ZINC000411314704 381022393 /nfs/dbraw/zinc/02/23/93/381022393.db2.gz FQOTWCCBUFVWPK-MUJYYYPQSA-N 0 1 278.444 2.871 20 30 CFEDMN Cc1n[nH]c(C(C)C)c1C(=O)NCCc1cccc(C#N)c1 ZINC000341454566 381023230 /nfs/dbraw/zinc/02/32/30/381023230.db2.gz NNTOUGVTFSTLKM-UHFFFAOYSA-N 0 1 296.374 2.686 20 30 CFEDMN CCCCCN(CCC1(C#N)CCCCC1)CC(N)=O ZINC000411498988 381028303 /nfs/dbraw/zinc/02/83/03/381028303.db2.gz QMXXJKUAZCMLPJ-UHFFFAOYSA-N 0 1 279.428 2.828 20 30 CFEDMN C[C@@H](CCC#N)N1CCO[C@@H](C2CCCCC2)C1 ZINC000411532458 381030793 /nfs/dbraw/zinc/03/07/93/381030793.db2.gz ZFEUCZCEINDNHO-DZGCQCFKSA-N 0 1 250.386 2.960 20 30 CFEDMN CCNc1ccc(C#N)cc1NC(=O)c1ncc(C)cc1O ZINC000354078254 381065082 /nfs/dbraw/zinc/06/50/82/381065082.db2.gz PIRXFPWMINKYGL-UHFFFAOYSA-N 0 1 296.330 2.651 20 30 CFEDMN CO[C@](C)([C@H](C)NCc1ccc(F)cc1C#N)C1CC1 ZINC000411947545 381066194 /nfs/dbraw/zinc/06/61/94/381066194.db2.gz MJDSHZRBAHSIQW-MEDUHNTESA-N 0 1 276.355 2.991 20 30 CFEDMN C[C@H](C[S@@](C)=O)N(C)CCC1(C#N)CCCCC1 ZINC000411511236 381032781 /nfs/dbraw/zinc/03/27/81/381032781.db2.gz IHEUGLICJHDVMM-FZKQIMNGSA-N 0 1 270.442 2.549 20 30 CFEDMN C=CCOc1cccc(NC(=O)c2ncc(C)cc2O)c1 ZINC000358727511 381037910 /nfs/dbraw/zinc/03/79/10/381037910.db2.gz XXFNNLBXVDKMPN-UHFFFAOYSA-N 0 1 284.315 2.913 20 30 CFEDMN CCN(CCOC)Cc1ccc(C#N)cc1OC(F)F ZINC000347339903 381082500 /nfs/dbraw/zinc/08/25/00/381082500.db2.gz NUNINYRXGBTAGY-UHFFFAOYSA-N 0 1 284.306 2.628 20 30 CFEDMN N#Cc1cccc(CN[C@H](c2nnc[nH]2)c2ccccc2)c1 ZINC000368624543 381087807 /nfs/dbraw/zinc/08/78/07/381087807.db2.gz VWJHYHFXJBNVTN-INIZCTEOSA-N 0 1 289.342 2.556 20 30 CFEDMN C=CCCC[C@@H](C)NC(=O)c1cnccc1N(C)C ZINC000354157888 381112294 /nfs/dbraw/zinc/11/22/94/381112294.db2.gz JAVAAXZPJGRRMW-GFCCVEGCSA-N 0 1 261.369 2.622 20 30 CFEDMN CCOC(=O)c1coc(-c2nc3ccc(C#N)cc3[nH]2)c1 ZINC000358845416 381118175 /nfs/dbraw/zinc/11/81/75/381118175.db2.gz HECCGFGETVFNLY-UHFFFAOYSA-N 0 1 281.271 2.871 20 30 CFEDMN COc1ccc(CN2CCOCC3(CCC3)C2)cc1C#N ZINC000368834518 381144777 /nfs/dbraw/zinc/14/47/77/381144777.db2.gz MVKBGUPNEQSNLX-UHFFFAOYSA-N 0 1 286.375 2.569 20 30 CFEDMN CCN(CCC#N)C(=O)CN[C@H](C)c1cc(C)sc1C ZINC000182763616 381151371 /nfs/dbraw/zinc/15/13/71/381151371.db2.gz JMCSODHRNAYGNG-GFCCVEGCSA-N 0 1 293.436 2.778 20 30 CFEDMN C[C@@H](N[C@@H](C)C(=O)N(C)CCC#N)c1cc2ccccc2o1 ZINC000182638118 381126031 /nfs/dbraw/zinc/12/60/31/381126031.db2.gz AAISAUOAWRNPQN-OLZOCXBDSA-N 0 1 299.374 2.844 20 30 CFEDMN CCOC(=O)C[C@H](C)N(C)CC#Cc1ccc(Cl)cc1 ZINC000182664279 381133585 /nfs/dbraw/zinc/13/35/85/381133585.db2.gz DWNARVHRXLVBRK-ZDUSSCGKSA-N 0 1 293.794 2.965 20 30 CFEDMN C=CC[C@H]1N(C(=O)[C@H]2CCCN2C)CCCC1(C)C ZINC000347474306 381174574 /nfs/dbraw/zinc/17/45/74/381174574.db2.gz VRRGIMDTVZITIU-ZIAGYGMSSA-N 0 1 264.413 2.674 20 30 CFEDMN N#Cc1ccc(F)c(CN2CCCO[C@H]3CCC[C@H]32)c1 ZINC000369466125 381266246 /nfs/dbraw/zinc/26/62/46/381266246.db2.gz JEMOEYLLTHYUMW-CVEARBPZSA-N 0 1 274.339 2.841 20 30 CFEDMN C#Cc1ccc(CN2CCC[C@H]2[C@@H](O)C(F)(F)F)cc1 ZINC000289966079 381240216 /nfs/dbraw/zinc/24/02/16/381240216.db2.gz IWHMOJGIFDLGRT-UONOGXRCSA-N 0 1 283.293 2.556 20 30 CFEDMN COc1cc([C@@H](C)NCc2ccc(C#N)s2)ccn1 ZINC000342274346 381240737 /nfs/dbraw/zinc/24/07/37/381240737.db2.gz HRDLGXIXIIOXMN-SNVBAGLBSA-N 0 1 273.361 2.874 20 30 CFEDMN C=CCC[N@H+](C)Cc1cnc(Br)s1 ZINC000296069526 381241698 /nfs/dbraw/zinc/24/16/98/381241698.db2.gz RTGRIFFESPDDCM-UHFFFAOYSA-N 0 1 261.188 2.914 20 30 CFEDMN C=CCCN(C)Cc1cnc(Br)s1 ZINC000296069526 381241709 /nfs/dbraw/zinc/24/17/09/381241709.db2.gz RTGRIFFESPDDCM-UHFFFAOYSA-N 0 1 261.188 2.914 20 30 CFEDMN CN(C)C[C@H](NCc1ccc(C#N)o1)c1ccc(F)cc1 ZINC000290079827 381290306 /nfs/dbraw/zinc/29/03/06/381290306.db2.gz IUJYSGCPQPIGJZ-INIZCTEOSA-N 0 1 287.338 2.683 20 30 CFEDMN CC(C)Oc1ccccc1C(=O)C(C#N)c1ccncn1 ZINC000354457232 381282824 /nfs/dbraw/zinc/28/28/24/381282824.db2.gz ADUHVINTAIYNOS-ZDUSSCGKSA-N 0 1 281.315 2.754 20 30 CFEDMN Cc1cc(C(=O)C(C#N)c2cnc3ccccc3n2)ccn1 ZINC000342388123 381308988 /nfs/dbraw/zinc/30/89/88/381308988.db2.gz NBSATBLRPGNNBU-CYBMUJFWSA-N 0 1 288.310 2.823 20 30 CFEDMN CN(C)c1ccccc1CN(C)Cc1cc(C#N)n(C)c1 ZINC000290221283 381348365 /nfs/dbraw/zinc/34/83/65/381348365.db2.gz RQGBEYUEJXFCTM-UHFFFAOYSA-N 0 1 282.391 2.595 20 30 CFEDMN N#CCc1cccc(C(=O)[C@@H](C#N)c2ccccn2)c1 ZINC000049458746 412944816 /nfs/dbraw/zinc/94/48/16/412944816.db2.gz ADQKTNVHXYZDSM-AWEZNQCLSA-N 0 1 261.284 2.638 20 30 CFEDMN N#Cc1cccc(CNCc2cc(O)cc(F)c2)c1 ZINC000184139797 381376681 /nfs/dbraw/zinc/37/66/81/381376681.db2.gz JXOVMTYLJBZCLV-UHFFFAOYSA-N 0 1 256.280 2.693 20 30 CFEDMN CN(Cc1ncc(-c2ccc(C#N)cc2)o1)C[C@@H]1CCOC1 ZINC000370167908 381397963 /nfs/dbraw/zinc/39/79/63/381397963.db2.gz WLWSFYHMVASERG-AWEZNQCLSA-N 0 1 297.358 2.682 20 30 CFEDMN C=CCCOCCCCC(=O)N1CCN(CC(C)C)CC1 ZINC000342609501 381431832 /nfs/dbraw/zinc/43/18/32/381431832.db2.gz RKFYUKPKJNMQHC-UHFFFAOYSA-N 0 1 296.455 2.550 20 30 CFEDMN C[C@H](CNc1cccnc1C#N)N1CCc2sccc2C1 ZINC000290540336 381471800 /nfs/dbraw/zinc/47/18/00/381471800.db2.gz PFRRIMYWFRZZON-GFCCVEGCSA-N 0 1 298.415 2.873 20 30 CFEDMN N#Cc1cccc(NC(=O)c2ccc(-c3nnc[nH]3)cc2)c1 ZINC000184733689 381471744 /nfs/dbraw/zinc/47/17/44/381471744.db2.gz FKWLMOZSGWIBFD-UHFFFAOYSA-N 0 1 289.298 2.596 20 30 CFEDMN C=CCN(Cc1ccccc1)C(=O)CCCCc1cn[nH]n1 ZINC000184646849 381452395 /nfs/dbraw/zinc/45/23/95/381452395.db2.gz KCCIXMWXXLEIJI-UHFFFAOYSA-N 0 1 298.390 2.732 20 30 CFEDMN C=CCOCCCN[C@@H](C)c1csc(CC)n1 ZINC000348065045 381460675 /nfs/dbraw/zinc/46/06/75/381460675.db2.gz YQTDCUPPBDIAHI-NSHDSACASA-N 0 1 254.399 2.949 20 30 CFEDMN CC(=O)c1ccc(C#N)c(N[C@H]2C[C@@H](C)[N@H+](C3CC3)C2)c1 ZINC000290522345 381464417 /nfs/dbraw/zinc/46/44/17/381464417.db2.gz CNXVWLMJXDRVTA-ABAIWWIYSA-N 0 1 283.375 2.798 20 30 CFEDMN CC(=O)c1ccc(C#N)c(N[C@H]2C[C@@H](C)N(C3CC3)C2)c1 ZINC000290522345 381464422 /nfs/dbraw/zinc/46/44/22/381464422.db2.gz CNXVWLMJXDRVTA-ABAIWWIYSA-N 0 1 283.375 2.798 20 30 CFEDMN N#CCc1ccc(CN2CCC[C@H]2c2cc[nH]n2)cc1 ZINC000348152447 381465726 /nfs/dbraw/zinc/46/57/26/381465726.db2.gz PTOZQZTWKKMILQ-INIZCTEOSA-N 0 1 266.348 2.813 20 30 CFEDMN C=CC1CCN(CC(=O)N2c3ccccc3C[C@H]2C)CC1 ZINC000348163014 381465802 /nfs/dbraw/zinc/46/58/02/381465802.db2.gz AWXPVABPJWPLDS-CQSZACIVSA-N 0 1 284.403 2.862 20 30 CFEDMN N#Cc1ccc2ncc(CNC3(c4ccccc4)CC3)n2c1 ZINC000342733211 381507433 /nfs/dbraw/zinc/50/74/33/381507433.db2.gz STYSIFZJEDJZMX-UHFFFAOYSA-N 0 1 288.354 2.985 20 30 CFEDMN C[C@@H](NCc1cnc2ccc(C#N)cn12)c1cccc(O)c1 ZINC000342725547 381501791 /nfs/dbraw/zinc/50/17/91/381501791.db2.gz HVHLBNGSXRXVGQ-GFCCVEGCSA-N 0 1 292.342 2.762 20 30 CFEDMN C=CCCN(C)CC(=O)N[C@H]1CCCc2ccccc21 ZINC000342767175 381525035 /nfs/dbraw/zinc/52/50/35/381525035.db2.gz XUANEKUEEYVKIP-INIZCTEOSA-N 0 1 272.392 2.688 20 30 CFEDMN C=CCCN(C)[C@@H](C)C(=O)Nc1ccc(Cl)cn1 ZINC000342767258 381525818 /nfs/dbraw/zinc/52/58/18/381525818.db2.gz ZCSGMDBFEYYOQI-JTQLQIEISA-N 0 1 267.760 2.570 20 30 CFEDMN CCCN(Cc1n[nH]c(CC)n1)Cc1ccc(C#N)cc1 ZINC000185182448 381554938 /nfs/dbraw/zinc/55/49/38/381554938.db2.gz RCOGJAYZQALPBS-UHFFFAOYSA-N 0 1 283.379 2.651 20 30 CFEDMN N#Cc1ccccc1N1CCN(CC2CC(F)(F)C2)CC1 ZINC000297296947 381556783 /nfs/dbraw/zinc/55/67/83/381556783.db2.gz YGJCDOYETLTDQQ-UHFFFAOYSA-N 0 1 291.345 2.726 20 30 CFEDMN C=CC[C@H](Cc1ccccc1)NCc1csnn1 ZINC000414528057 381593846 /nfs/dbraw/zinc/59/38/46/381593846.db2.gz AAZRXZAMGLLTQD-CYBMUJFWSA-N 0 1 259.378 2.815 20 30 CFEDMN C=CCOc1ccc(CN2CCOC[C@@H](C)C2)cc1OC ZINC000359865481 381648788 /nfs/dbraw/zinc/64/87/88/381648788.db2.gz DWOXNBSCOBAEIR-AWEZNQCLSA-N 0 1 291.391 2.728 20 30 CFEDMN C[C@@H](C#N)CN(CCC[N@@H+](C[C@H](C)C#N)C1CC1)C1CC1 ZINC000343296169 381674517 /nfs/dbraw/zinc/67/45/17/381674517.db2.gz DLCKPNVTMOGHMS-GASCZTMLSA-N 0 1 288.439 2.625 20 30 CFEDMN C=C(Cl)CN(C)CCCc1nccn1CCC ZINC000298559562 381674514 /nfs/dbraw/zinc/67/45/14/381674514.db2.gz PFDNYSCBGVTOGJ-UHFFFAOYSA-N 0 1 255.793 2.910 20 30 CFEDMN C[C@@H](C#N)CN(CCCN(C[C@H](C)C#N)C1CC1)C1CC1 ZINC000343296169 381674537 /nfs/dbraw/zinc/67/45/37/381674537.db2.gz DLCKPNVTMOGHMS-GASCZTMLSA-N 0 1 288.439 2.625 20 30 CFEDMN N#Cc1c(Cl)cccc1NCCCCN1CCOCC1 ZINC000298688967 381712325 /nfs/dbraw/zinc/71/23/25/381712325.db2.gz CKSGABKLTJQUNU-UHFFFAOYSA-N 0 1 293.798 2.736 20 30 CFEDMN N#Cc1ccccc1CN1CC[C@@](CO)(c2ccccc2)C1 ZINC000291179644 381696647 /nfs/dbraw/zinc/69/66/47/381696647.db2.gz FLDZERJCODCCNJ-LJQANCHMSA-N 0 1 292.382 2.694 20 30 CFEDMN C[C@@H](C(=O)NCC[N@H+]1CCC[C@@H](C)C1)c1cccc(C#N)c1 ZINC000360015408 381729512 /nfs/dbraw/zinc/72/95/12/381729512.db2.gz JTLXWINBJWCMFY-HUUCEWRRSA-N 0 1 299.418 2.510 20 30 CFEDMN C[C@H](C(=O)NCC[N@H+]1CCC[C@@H](C)C1)c1cccc(C#N)c1 ZINC000360015404 381729765 /nfs/dbraw/zinc/72/97/65/381729765.db2.gz JTLXWINBJWCMFY-CABCVRRESA-N 0 1 299.418 2.510 20 30 CFEDMN CCCCCCCC(=O)N1CCC(c2nc[nH]n2)CC1 ZINC000371918356 381722171 /nfs/dbraw/zinc/72/21/71/381722171.db2.gz LLOBZVPULWCSKN-UHFFFAOYSA-N 0 1 278.400 2.871 20 30 CFEDMN C#CC[C@H](C)NC(=O)[C@H]1CCCCN1Cc1ccccc1 ZINC000360463965 381781695 /nfs/dbraw/zinc/78/16/95/381781695.db2.gz ALWCYKXVSPWKOJ-DOTOQJQBSA-N 0 1 284.403 2.569 20 30 CFEDMN CC(C)n1ccc(C(=O)C(C#N)c2nc3ccccc3[nH]2)n1 ZINC000355634193 381789741 /nfs/dbraw/zinc/78/97/41/381789741.db2.gz BJUOBRJWWVJDJT-NSHDSACASA-N 0 1 293.330 2.830 20 30 CFEDMN C=CCN(CCC(C)(C)O)Cc1cccc([N+](=O)[O-])c1 ZINC000360450205 381778607 /nfs/dbraw/zinc/77/86/07/381778607.db2.gz UWPHWKHFVNEBRD-UHFFFAOYSA-N 0 1 278.352 2.744 20 30 CFEDMN CN(C)Cc1cnc(/C=C\c2ccncc2C#N)s1 ZINC000349115925 381826446 /nfs/dbraw/zinc/82/64/46/381826446.db2.gz YEJMZDJCWASLDJ-ARJAWSKDSA-N 0 1 270.361 2.642 20 30 CFEDMN C=CCN1CC[C@H](N(C)Cc2coc3ccccc23)C1=O ZINC000343610472 381838822 /nfs/dbraw/zinc/83/88/22/381838822.db2.gz KDSWNBIWBAQJKZ-HNNXBMFYSA-N 0 1 284.359 2.652 20 30 CFEDMN C=CCNC(=O)[C@@H](C)N[C@H](C)c1cc2cccc(F)c2o1 ZINC000355779292 381802472 /nfs/dbraw/zinc/80/24/72/381802472.db2.gz ZIPJMPAZSRELFW-GHMZBOCLSA-N 0 1 290.338 2.913 20 30 CFEDMN C=CCNC(=O)[C@H](C)N[C@@H](C)c1cc2cccc(F)c2o1 ZINC000355779299 381803087 /nfs/dbraw/zinc/80/30/87/381803087.db2.gz ZIPJMPAZSRELFW-QWRGUYRKSA-N 0 1 290.338 2.913 20 30 CFEDMN N#CC1(CN[C@H](c2ccccc2)[C@H]2CCOC2)CC1 ZINC000343578980 381811599 /nfs/dbraw/zinc/81/15/99/381811599.db2.gz FXHDPUXIZDWJHY-LSDHHAIUSA-N 0 1 256.349 2.658 20 30 CFEDMN C=C(C)CN(CC)C(=O)[C@H](C)N1CCC(C(F)F)CC1 ZINC000361700136 381857853 /nfs/dbraw/zinc/85/78/53/381857853.db2.gz USKZZSZVQRMSGP-LBPRGKRZSA-N 0 1 288.382 2.777 20 30 CFEDMN CC(C)(C)CN(CCC#N)CCC(=O)Nc1cccnc1 ZINC000361824107 381865236 /nfs/dbraw/zinc/86/52/36/381865236.db2.gz AUUMRRKOAFDYQM-UHFFFAOYSA-N 0 1 288.395 2.672 20 30 CFEDMN CC(C)N(Cc1cc(C#N)n(C)c1)Cc1cccnc1 ZINC000349276483 381872054 /nfs/dbraw/zinc/87/20/54/381872054.db2.gz JSLGYANHZCPFTE-UHFFFAOYSA-N 0 1 268.364 2.702 20 30 CFEDMN C=CCN1CC[C@@H]2CCN(C(=O)OC(C)(C)C)[C@H]2C1 ZINC000372990171 381903947 /nfs/dbraw/zinc/90/39/47/381903947.db2.gz NDEKYSQDTPCMOG-OLZOCXBDSA-N 0 1 266.385 2.504 20 30 CFEDMN C=CCC1(C(=O)Nc2nc(-c3ccco3)n[nH]2)CCC1 ZINC000299357892 381909509 /nfs/dbraw/zinc/90/95/09/381909509.db2.gz RDWIDDJLRYXQSM-UHFFFAOYSA-N 0 1 272.308 2.750 20 30 CFEDMN N#Cc1ccnc(N2CCN([C@@H]3C=CCCCCC3)CC2)c1 ZINC000292947860 381917976 /nfs/dbraw/zinc/91/79/76/381917976.db2.gz BJUWLNLPNKVDCT-QGZVFWFLSA-N 0 1 296.418 2.964 20 30 CFEDMN Cn1ccnc1[C@@H]1CCCN(Cc2cc(C#N)ccc2F)C1 ZINC000373096467 381926183 /nfs/dbraw/zinc/92/61/83/381926183.db2.gz DDXSKMFNDGNOHV-CQSZACIVSA-N 0 1 298.365 2.810 20 30 CFEDMN N#Cc1ccc(CN[C@H](c2nnc[nH]2)c2ccccc2)cc1 ZINC000372909169 381888674 /nfs/dbraw/zinc/88/86/74/381888674.db2.gz VQVDVKOJNIQNAE-INIZCTEOSA-N 0 1 289.342 2.556 20 30 CFEDMN N#CCc1ccc(CN[C@@H](CO)c2cccc(F)c2)cc1 ZINC000343691664 381890904 /nfs/dbraw/zinc/89/09/04/381890904.db2.gz NYTJVISHMQTQMK-KRWDZBQOSA-N 0 1 284.334 2.715 20 30 CFEDMN C[C@@H](NCc1n[nH]c(C(C)(C)C)n1)c1ccc(C#N)cc1 ZINC000293029668 381956869 /nfs/dbraw/zinc/95/68/69/381956869.db2.gz WBOYTHHJLVDSDV-LLVKDONJSA-N 0 1 283.379 2.825 20 30 CFEDMN N#CCC[C@H](C#N)CN1CCC[C@@H](C[C@@H]2CCOC2)C1 ZINC000373143707 381936741 /nfs/dbraw/zinc/93/67/41/381936741.db2.gz XYJCQOFKMJYBRL-HRCADAONSA-N 0 1 275.396 2.569 20 30 CFEDMN C#CC[C@H](NCc1n[nH]c(C(C)C)n1)c1ccccc1 ZINC000293161942 382013238 /nfs/dbraw/zinc/01/32/38/382013238.db2.gz MWTPCWXZTSYZHC-AWEZNQCLSA-N 0 1 268.364 2.782 20 30 CFEDMN Cc1nc([C@H](C)Nc2ncc(Cl)c(C)c2C#N)n[nH]1 ZINC000343905743 382013370 /nfs/dbraw/zinc/01/33/70/382013370.db2.gz BXADBCSZVGAKGN-ZETCQYMHSA-N 0 1 276.731 2.515 20 30 CFEDMN CC(C)(C#N)C(=O)Nc1nc(-c2cc3ccccc3o2)n[nH]1 ZINC000362250601 381978147 /nfs/dbraw/zinc/97/81/47/381978147.db2.gz MTAJKWJTTMOZJD-UHFFFAOYSA-N 0 1 295.302 2.706 20 30 CFEDMN C=CC[C@H](CO)[NH2+][C@H](C)c1cc(Cl)ccc1[O-] ZINC000186687747 381985686 /nfs/dbraw/zinc/98/56/86/381985686.db2.gz YAHXEYADBXSBMA-MWLCHTKSSA-N 0 1 255.745 2.633 20 30 CFEDMN N#C[C@H]1CC[C@@H](NCc2ccn(-c3ccccc3)n2)C1 ZINC000349801531 381990266 /nfs/dbraw/zinc/99/02/66/381990266.db2.gz LWKNNPINOXZEAY-UONOGXRCSA-N 0 1 266.348 2.654 20 30 CFEDMN C#CCN1CCC(C(=O)N2C[C@@H]3CCCCCC[C@H]32)CC1 ZINC000374584979 382050213 /nfs/dbraw/zinc/05/02/13/382050213.db2.gz JREUIESKDBEOPY-DLBZAZTESA-N 0 1 288.435 2.513 20 30 CFEDMN CC(C)CC1(C)CCN(CC(=O)NC2(C#N)CCC2)CC1 ZINC000343955397 382035062 /nfs/dbraw/zinc/03/50/62/382035062.db2.gz BWFIUHKQBJVINF-UHFFFAOYSA-N 0 1 291.439 2.697 20 30 CFEDMN C=C[C@H](C)NC(=O)NC[C@H](c1ccc(C)o1)N1CCCC1 ZINC000362381353 382038930 /nfs/dbraw/zinc/03/89/30/382038930.db2.gz XHXIIIOCEZQZKF-GXTWGEPZSA-N 0 1 291.395 2.599 20 30 CFEDMN N#Cc1cccc(CN2CC[C@@H](O)c3ccccc3C2)c1 ZINC000375824239 382106311 /nfs/dbraw/zinc/10/63/11/382106311.db2.gz MTNSDHRGOQDTIV-GOSISDBHSA-N 0 1 278.355 2.998 20 30 CFEDMN C/C=C\c1ccc(NS(=O)(=O)c2cncc(C#N)c2)cc1 ZINC000357336869 382115700 /nfs/dbraw/zinc/11/57/00/382115700.db2.gz WKYJGDWYPRIKCP-IHWYPQMZSA-N 0 1 299.355 2.787 20 30 CFEDMN CC#CCN(C)CCc1ncc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000293339079 382084749 /nfs/dbraw/zinc/08/47/49/382084749.db2.gz YQMBOIIQQUJIJV-UHFFFAOYSA-N 0 1 299.330 2.747 20 30 CFEDMN CC#CCN(C)Cc1ccc(SC(=O)N(C)C)cc1 ZINC000293338824 382085220 /nfs/dbraw/zinc/08/52/20/382085220.db2.gz YNRRIQFPEXBOFQ-UHFFFAOYSA-N 0 1 276.405 2.915 20 30 CFEDMN C(#Cc1ccccc1)CN1CC[C@H](c2nc(C3CC3)no2)C1 ZINC000375437397 382086316 /nfs/dbraw/zinc/08/63/16/382086316.db2.gz LOIWEPXYLWQQMQ-INIZCTEOSA-N 0 1 293.370 2.788 20 30 CFEDMN C=CCOCCN1Cc2ccc(OC)cc2C2(CC2)C1 ZINC000293571024 382179485 /nfs/dbraw/zinc/17/94/85/382179485.db2.gz MYHHWHQTBFSPRK-UHFFFAOYSA-N 0 1 273.376 2.745 20 30 CFEDMN C[C@@H]1C[C@@H](CO)CCN1CC#Cc1ccc(Cl)cc1 ZINC000344131548 382148721 /nfs/dbraw/zinc/14/87/21/382148721.db2.gz NRBADQQWFVXJDH-HIFRSBDPSA-N 0 1 277.795 2.784 20 30 CFEDMN CC(C)(C)c1n[nH]cc1C(=O)N1CCc2ccc(C#N)cc21 ZINC000293550043 382169373 /nfs/dbraw/zinc/16/93/73/382169373.db2.gz UHROALHJTXCVAB-UHFFFAOYSA-N 0 1 294.358 2.782 20 30 CFEDMN CC(C)(O)c1ccc(CNCc2ccc(C#N)o2)cc1 ZINC000187505384 382197885 /nfs/dbraw/zinc/19/78/85/382197885.db2.gz QMCOFKGKGFTKNS-UHFFFAOYSA-N 0 1 270.332 2.668 20 30 CFEDMN CCCCCN1CCN(c2snc(C)c2C#N)CC1 ZINC000352192631 382216696 /nfs/dbraw/zinc/21/66/96/382216696.db2.gz WPIJUHSOLUFFDL-UHFFFAOYSA-N 0 1 278.425 2.635 20 30 CFEDMN CC[C@@]1(CO)CCCN(Cc2cn3ccccc3c2C#N)C1 ZINC000187641140 382233419 /nfs/dbraw/zinc/23/34/19/382233419.db2.gz NCSOJAJDCCVFAN-GOSISDBHSA-N 0 1 297.402 2.795 20 30 CFEDMN C=C(C)CN1CCC(Nc2nnc(C3CC3)s2)CC1 ZINC000301712175 382187973 /nfs/dbraw/zinc/18/79/73/382187973.db2.gz FDNNIFNJUGABTD-UHFFFAOYSA-N 0 1 278.425 2.868 20 30 CFEDMN Cn1cc(CN2CC[C@H](Oc3ccccc3)C2)cc1C#N ZINC000377206097 382236147 /nfs/dbraw/zinc/23/61/47/382236147.db2.gz GCUYWYMMRXLOFA-KRWDZBQOSA-N 0 1 281.359 2.550 20 30 CFEDMN CCCC[C@@H](C)[N@@H+](C)CC(=O)N(CC)C[C@@H](C)C#N ZINC000352413663 382316871 /nfs/dbraw/zinc/31/68/71/382316871.db2.gz BGWLKPHZWVEZNA-UONOGXRCSA-N 0 1 267.417 2.505 20 30 CFEDMN COc1cc(C)nc(-c2nc3ccc(C#N)cc3[nH]2)c1 ZINC000346220881 382338080 /nfs/dbraw/zinc/33/80/80/382338080.db2.gz KPXYWZASNSETTH-UHFFFAOYSA-N 0 1 264.288 2.814 20 30 CFEDMN Cc1cccc2nc([C@@H](C#N)C(=O)c3cccnc3)[nH]c21 ZINC000345397799 382301009 /nfs/dbraw/zinc/30/10/09/382301009.db2.gz GJSYOPPGHZADIZ-LBPRGKRZSA-N 0 1 276.299 2.756 20 30 CFEDMN CN(C(=O)c1ccc(C#N)c(O)c1)c1ccccc1 ZINC000188208190 382367135 /nfs/dbraw/zinc/36/71/35/382367135.db2.gz CNNIXWCHHARUIC-UHFFFAOYSA-N 0 1 252.273 2.540 20 30 CFEDMN CC(C)(C)CN(CCCO)Cc1ccc(F)cc1C#N ZINC000304027815 382369832 /nfs/dbraw/zinc/36/98/32/382369832.db2.gz ZVOBPVLVIUXPJF-UHFFFAOYSA-N 0 1 278.371 2.928 20 30 CFEDMN C=C[C@@H](CO)NCc1ccc(-c2ccc(F)cc2)o1 ZINC000352465137 382347755 /nfs/dbraw/zinc/34/77/55/382347755.db2.gz DLTARPPBVIRKSX-ZDUSSCGKSA-N 0 1 261.296 2.722 20 30 CFEDMN C[C@@H](C1CC1)n1nccc1NC(=O)c1ccc(C#N)c(O)c1 ZINC000188495325 382424994 /nfs/dbraw/zinc/42/49/94/382424994.db2.gz LIKADSWWGWOMSI-JTQLQIEISA-N 0 1 296.330 2.684 20 30 CFEDMN N#Cc1ccc([C@H](O)CN2CCC[C@@H]2c2nccs2)cc1 ZINC000378145596 382407271 /nfs/dbraw/zinc/40/72/71/382407271.db2.gz SYHGCYZOWJTYOU-HUUCEWRRSA-N 0 1 299.399 2.885 20 30 CFEDMN C[C@H](NC(=O)C(C#N)c1nc2ccccc2s1)C1CC1 ZINC000358124710 382461475 /nfs/dbraw/zinc/46/14/75/382461475.db2.gz OQDIYFJQZZFRNY-ONGXEEELSA-N 0 1 285.372 2.818 20 30 CFEDMN C[C@H](CC#N)NC(=O)c1cn[nH]c1-c1ccc(Cl)s1 ZINC000188802970 382480823 /nfs/dbraw/zinc/48/08/23/382480823.db2.gz JVZYHARCTBZHKG-SSDOTTSWSA-N 0 1 294.767 2.824 20 30 CFEDMN C=C(C)CN(Cc1cnn(C(C)C)c1)Cc1cnc[nH]1 ZINC000352898524 382480975 /nfs/dbraw/zinc/48/09/75/382480975.db2.gz AEGDFPOXBTYVJX-UHFFFAOYSA-N 0 1 273.384 2.765 20 30 CFEDMN C[C@@H](NCc1ccc(C#N)o1)[C@@H](C)NC(=O)OC(C)(C)C ZINC000381350253 382520294 /nfs/dbraw/zinc/52/02/94/382520294.db2.gz HTUZGDNLARKVBM-GHMZBOCLSA-N 0 1 293.367 2.543 20 30 CFEDMN C=CCN1CC[C@@H](N[C@@H](CC(F)F)c2ccccc2)C1=O ZINC000420990644 382502903 /nfs/dbraw/zinc/50/29/03/382502903.db2.gz GALCUTFEZRHVBE-KGLIPLIRSA-N 0 1 294.345 2.759 20 30 CFEDMN CC(C)(C#N)CCCN1CC[S@@](=O)C(C)(C)CC1 ZINC000321883148 382540063 /nfs/dbraw/zinc/54/00/63/382540063.db2.gz NBUBCDJFVDVGBU-GOSISDBHSA-N 0 1 270.442 2.549 20 30 CFEDMN CC(C)CN(Cc1ccc(C#N)cc1)C(=O)c1ccn[nH]1 ZINC000346847066 382542744 /nfs/dbraw/zinc/54/27/44/382542744.db2.gz DRMABHAWHJLXMB-UHFFFAOYSA-N 0 1 282.347 2.580 20 30 CFEDMN C=CC[C@@H]1N(C(=O)[C@@H]2C[C@@H]2c2nc[nH]n2)CCCC1(C)C ZINC000366780530 382549952 /nfs/dbraw/zinc/54/99/52/382549952.db2.gz UJNVFWDVVZUUIH-XQQFMLRXSA-N 0 1 288.395 2.502 20 30 CFEDMN C[C@@H](C(=O)N[C@H]1C(=O)NCC[C@H]1C)N1[C@H](C)CC[C@@H]1C ZINC000328600252 382551682 /nfs/dbraw/zinc/55/16/82/382551682.db2.gz CVZASEUAADKWEG-NAWOPXAZSA-N 0 1 281.400 2.569 20 30 CFEDMN Cc1ccccc1[C@@H](C)N(C)CC(=O)NC1(C#N)CCC1 ZINC000346833956 382534330 /nfs/dbraw/zinc/53/43/30/382534330.db2.gz XSUKFQGAVOTFSK-CQSZACIVSA-N 0 1 285.391 2.550 20 30 CFEDMN C=CCC[C@@H](CO)NCc1ccsc1Br ZINC000320197562 382536252 /nfs/dbraw/zinc/53/62/52/382536252.db2.gz CBRDCOTWUQMJJJ-JTQLQIEISA-N 0 1 290.226 2.927 20 30 CFEDMN C=CCCCN(C)CC(=O)Nc1c(F)cccc1F ZINC000346961038 382587427 /nfs/dbraw/zinc/58/74/27/382587427.db2.gz KOEIZVVJSRGVPG-UHFFFAOYSA-N 0 1 268.307 2.801 20 30 CFEDMN CCn1cc([C@@H](C)NCC#Cc2ccccc2)cn1 ZINC000295276665 382605136 /nfs/dbraw/zinc/60/51/36/382605136.db2.gz BBSCUGZEPGWAJN-CQSZACIVSA-N 0 1 253.349 2.605 20 30 CFEDMN COc1ccc(OC)c([C@@H](C)NCc2cc(C#N)n(C)c2)c1 ZINC000189584774 382627284 /nfs/dbraw/zinc/62/72/84/382627284.db2.gz INPFHWSSKBXFSB-GFCCVEGCSA-N 0 1 299.374 2.765 20 30 CFEDMN Cc1cc([C@@H](C)NCc2cc(C#N)n(C)c2)c(C)o1 ZINC000189591192 382628369 /nfs/dbraw/zinc/62/83/69/382628369.db2.gz HJDYDDLTTBGUPL-LLVKDONJSA-N 0 1 257.337 2.957 20 30 CFEDMN N#CC(C(=O)c1cncc(F)c1)c1cnc2ccccc2n1 ZINC000190991663 382687629 /nfs/dbraw/zinc/68/76/29/382687629.db2.gz KLSUWOCPLNROCV-LBPRGKRZSA-N 0 1 292.273 2.654 20 30 CFEDMN N#C[C@H](C(=O)c1cncc(F)c1)c1cnc2ccccc2n1 ZINC000190991663 382687630 /nfs/dbraw/zinc/68/76/30/382687630.db2.gz KLSUWOCPLNROCV-LBPRGKRZSA-N 0 1 292.273 2.654 20 30 CFEDMN C[C@H]1CCN(Cc2ccc(C#N)s2)CCS1 ZINC000190693190 382677877 /nfs/dbraw/zinc/67/78/77/382677877.db2.gz RNDNPBWYGJMMJW-JTQLQIEISA-N 0 1 252.408 2.947 20 30 CFEDMN Cn1cc(CN(Cc2ccc(C#N)cc2)C2CC2)cc1C#N ZINC000191223903 382696330 /nfs/dbraw/zinc/69/63/30/382696330.db2.gz ZXKKFVWJZIMKFB-UHFFFAOYSA-N 0 1 290.370 2.933 20 30 CFEDMN C=CCN(CCOC)Cc1cn(C)nc1-c1ccccc1 ZINC000191755982 382702468 /nfs/dbraw/zinc/70/24/68/382702468.db2.gz OJLXJFWNBNOSRN-UHFFFAOYSA-N 0 1 285.391 2.722 20 30 CFEDMN C=CCN(CCOC)Cc1cnc(-c2ccccc2)[nH]1 ZINC000191756690 382702494 /nfs/dbraw/zinc/70/24/94/382702494.db2.gz SYSHEOVREUBGCS-UHFFFAOYSA-N 0 1 271.364 2.711 20 30 CFEDMN C#CCN1CCC(c2noc(-c3ccccc3OC)n2)CC1 ZINC000192342323 382707469 /nfs/dbraw/zinc/70/74/69/382707469.db2.gz JSSYTANJDKWPQW-UHFFFAOYSA-N 0 1 297.358 2.558 20 30 CFEDMN C=CCOc1ccccc1CN[C@H](C)c1ccnn1C ZINC000192853166 382712991 /nfs/dbraw/zinc/71/29/91/382712991.db2.gz YLDIJXAQRXUEPJ-CYBMUJFWSA-N 0 1 271.364 2.836 20 30 CFEDMN N#Cc1ccc(N2CCN(CCC3CC3)CC2)c(F)c1 ZINC000336827536 382724476 /nfs/dbraw/zinc/72/44/76/382724476.db2.gz AAVBVVSVMXLMRE-UHFFFAOYSA-N 0 1 273.355 2.619 20 30 CFEDMN C=CCN(CC=C)C(=O)[C@H](C)Nc1ccc2c(c1)CN(C)C2 ZINC000194511431 382746553 /nfs/dbraw/zinc/74/65/53/382746553.db2.gz YEHKYPQADCNROD-AWEZNQCLSA-N 0 1 299.418 2.633 20 30 CFEDMN N#Cc1ccc(CN[C@@H]2CCO[C@H]2c2ccccc2)nc1 ZINC000577121988 382848979 /nfs/dbraw/zinc/84/89/79/382848979.db2.gz LEICVTARSKXNNB-SJORKVTESA-N 0 1 279.343 2.573 20 30 CFEDMN Cc1c(CN(C)CCCOc2cccc(C#N)c2)cnn1C ZINC000576221687 382814996 /nfs/dbraw/zinc/81/49/96/382814996.db2.gz FEDXIGRIWIIUNF-UHFFFAOYSA-N 0 1 298.390 2.501 20 30 CFEDMN C=CCCc1ccccc1NC(=O)N(C)Cc1nnc[nH]1 ZINC000337584698 382844971 /nfs/dbraw/zinc/84/49/71/382844971.db2.gz DOQWGYXYBLKHTA-UHFFFAOYSA-N 0 1 285.351 2.587 20 30 CFEDMN CCCCN(C)Cc1nnc(-c2cccc(C#N)c2)o1 ZINC000441269788 382903952 /nfs/dbraw/zinc/90/39/52/382903952.db2.gz ZOUPIFVATHFAIE-UHFFFAOYSA-N 0 1 270.336 2.840 20 30 CFEDMN COC(=O)c1cccc(CN2C[C@H](C)[C@@H](C)[C@@H]2C)c1C#N ZINC000577833476 382871958 /nfs/dbraw/zinc/87/19/58/382871958.db2.gz SAGVGNCORHGLSF-XQQFMLRXSA-N 0 1 286.375 2.821 20 30 CFEDMN COC(=O)c1cccc(CN2CC[C@H](C)[C@H]2C)c1C#N ZINC000533760802 382910612 /nfs/dbraw/zinc/91/06/12/382910612.db2.gz HXSIZJDZZHAHJY-NWDGAFQWSA-N 0 1 272.348 2.575 20 30 CFEDMN C[C@@H](C(=O)NCc1ccc(C#N)s1)N1CCCCCC1 ZINC000421602199 382883180 /nfs/dbraw/zinc/88/31/80/382883180.db2.gz RGNLYUPBCKTTRN-LBPRGKRZSA-N 0 1 291.420 2.500 20 30 CFEDMN C=C(C)CN(CCO)Cc1cc(Br)cs1 ZINC000494219191 382910866 /nfs/dbraw/zinc/91/08/66/382910866.db2.gz IABLYQXDPXWUEP-UHFFFAOYSA-N 0 1 290.226 2.881 20 30 CFEDMN CCc1csc(NC(=O)c2ccc(C#N)c(O)c2)n1 ZINC000442648873 382941734 /nfs/dbraw/zinc/94/17/34/382941734.db2.gz MZESEAGBAIFJLY-UHFFFAOYSA-N 0 1 273.317 2.535 20 30 CFEDMN Cc1cc(C)nc(NC(=O)c2ccc(C#N)c(O)c2)c1 ZINC000442668346 382943316 /nfs/dbraw/zinc/94/33/16/382943316.db2.gz DLQYOXCIKIHHPZ-UHFFFAOYSA-N 0 1 267.288 2.528 20 30 CFEDMN CCn1cc(CN(C)[C@@H](C)c2cccc(C#N)c2)cn1 ZINC000442691246 382945323 /nfs/dbraw/zinc/94/53/23/382945323.db2.gz UAJDFZSEKJJYSH-ZDUSSCGKSA-N 0 1 268.364 2.968 20 30 CFEDMN CC(C)[C@H](N[C@H]1CC[C@H](C#N)C1)c1nnc2ccccn21 ZINC000442774018 382954455 /nfs/dbraw/zinc/95/44/55/382954455.db2.gz YBTWIVZGJFDPOA-YDHLFZDLSA-N 0 1 283.379 2.708 20 30 CFEDMN CC1CCC(N(CCC#N)C[C@@H]2CCCO2)CC1 ZINC000441463811 382915818 /nfs/dbraw/zinc/91/58/18/382915818.db2.gz LJUOWEGQLUPORJ-NRXISQOPSA-N 0 1 250.386 2.960 20 30 CFEDMN C=C(CC)CN1CCN(Cc2ccsc2)CC1 ZINC000540194672 382962624 /nfs/dbraw/zinc/96/26/24/382962624.db2.gz PAXCGNQBNNNJIC-UHFFFAOYSA-N 0 1 250.411 2.832 20 30 CFEDMN CN(CCOCc1ccc(C#N)cc1)Cc1ccco1 ZINC000578470398 382924333 /nfs/dbraw/zinc/92/43/33/382924333.db2.gz COHAUDBMTJAQGT-UHFFFAOYSA-N 0 1 270.332 2.800 20 30 CFEDMN Cc1cc(C)cc(CN(C)[C@H](C)C(=O)NC2(C#N)CCC2)c1 ZINC000444694373 382977582 /nfs/dbraw/zinc/97/75/82/382977582.db2.gz JOBLZQFMYOFEJL-OAHLLOKOSA-N 0 1 299.418 2.686 20 30 CFEDMN C=CC[C@H]1N(CC(=O)Nc2ccncc2)CCCC1(C)C ZINC000444784962 382982479 /nfs/dbraw/zinc/98/24/79/382982479.db2.gz WZCRIRNNVXETNN-OAHLLOKOSA-N 0 1 287.407 2.509 20 30 CFEDMN C=CCN(CC=C)C(=O)[C@@H](C)N[C@H](c1cccnc1)C1CC1 ZINC000445809292 382985120 /nfs/dbraw/zinc/98/51/20/382985120.db2.gz VTGOOIOSUJPENR-PBHICJAKSA-N 0 1 299.418 2.711 20 30 CFEDMN CCSCC[C@H](C)N(C)CC(=O)N[C@](C)(C#N)C(C)C ZINC000245443541 383000805 /nfs/dbraw/zinc/00/08/05/383000805.db2.gz IWUMGBQCWFYQCG-DZGCQCFKSA-N 0 1 299.484 2.504 20 30 CFEDMN CC(F)(F)CN=c1cc(C#N)c2cc([N+](=O)[O-])ccc2[nH]1 ZINC000549193043 383001077 /nfs/dbraw/zinc/00/10/77/383001077.db2.gz RVMUFACFYFTEQE-UHFFFAOYSA-N 0 1 292.245 2.504 20 30 CFEDMN CC(C)(C)[C@@H]1CCN(CC#Cc2ccc(F)cc2)C[C@@H]1O ZINC000541618075 382965622 /nfs/dbraw/zinc/96/56/22/382965622.db2.gz JPWZZQOOLCPDQB-SJORKVTESA-N 0 1 289.394 2.906 20 30 CFEDMN CC(C)(C)[C@@H]1CCN(CC#Cc2ccc(F)cc2)C[C@H]1O ZINC000541618071 382965660 /nfs/dbraw/zinc/96/56/60/382965660.db2.gz JPWZZQOOLCPDQB-IAGOWNOFSA-N 0 1 289.394 2.906 20 30 CFEDMN C=CCCCNC(=O)NCc1ccc(F)c(CN(C)C)c1 ZINC000447950799 383033567 /nfs/dbraw/zinc/03/35/67/383033567.db2.gz KSUBTKXPXJJLDS-UHFFFAOYSA-N 0 1 293.386 2.653 20 30 CFEDMN COc1cc(F)c(CN[C@@H]2CC[C@H](C#N)C2)cc1OC ZINC000580318681 383078695 /nfs/dbraw/zinc/07/86/95/383078695.db2.gz BNOHNINBMOPBBK-CMPLNLGQSA-N 0 1 278.327 2.625 20 30 CFEDMN C=CCCCNC(=O)NC[C@@H](c1ccco1)N(CC)CC ZINC000448136420 383046212 /nfs/dbraw/zinc/04/62/12/383046212.db2.gz FLZDPXZYTBBSNC-AWEZNQCLSA-N 0 1 293.411 2.928 20 30 CFEDMN C=CCC[C@H](O)CN1C[C@@H](c2ccccc2)O[C@@H](C)C1 ZINC000245988140 383056722 /nfs/dbraw/zinc/05/67/22/383056722.db2.gz FSCODNZUXHOUEI-XIRDDKMYSA-N 0 1 275.392 2.776 20 30 CFEDMN C=CCC[C@H](O)CN1C[C@@H](c2ccccc2)OC[C@@H]1C ZINC000245998140 383057537 /nfs/dbraw/zinc/05/75/37/383057537.db2.gz HYNDGVIPHCRRBO-XIRDDKMYSA-N 0 1 275.392 2.776 20 30 CFEDMN N#CCCOCCSc1nnc(CCC2CCCC2)[nH]1 ZINC000338541318 383020137 /nfs/dbraw/zinc/02/01/37/383020137.db2.gz RZXGUMKDLWIGIP-UHFFFAOYSA-N 0 1 294.424 2.950 20 30 CFEDMN N#CCCOCCSc1nc(CCC2CCCC2)n[nH]1 ZINC000338541318 383020144 /nfs/dbraw/zinc/02/01/44/383020144.db2.gz RZXGUMKDLWIGIP-UHFFFAOYSA-N 0 1 294.424 2.950 20 30 CFEDMN CCCCNC(=O)OC[C@@H]1CCCCN1CCCC#N ZINC000495746449 383021290 /nfs/dbraw/zinc/02/12/90/383021290.db2.gz DIAGACUTOABKAS-AWEZNQCLSA-N 0 1 281.400 2.671 20 30 CFEDMN C=CCCN1Cc2ccccc2C[C@H]1C(=O)N1CCCC1 ZINC000338543872 383022629 /nfs/dbraw/zinc/02/26/29/383022629.db2.gz HNAONDCAJYBWCF-KRWDZBQOSA-N 0 1 284.403 2.612 20 30 CFEDMN Cc1n[nH]c(C(C)C)c1C(=O)N1CCC[C@@H](CC#N)C1 ZINC000597905566 383129357 /nfs/dbraw/zinc/12/93/57/383129357.db2.gz GAOMLPUQWYZPEF-LBPRGKRZSA-N 0 1 274.368 2.607 20 30 CFEDMN C[C@@H]1Cc2ccccc2[C@H]1NC[C@H](C#N)CCC#N ZINC000582355236 383086950 /nfs/dbraw/zinc/08/69/50/383086950.db2.gz BNXIPYDAAKZUJV-WWGRRREGSA-N 0 1 253.349 2.953 20 30 CFEDMN CC(C)CC(CC(C)C)C(=O)NC1(C#N)CCN(C)CC1 ZINC000584509966 383108455 /nfs/dbraw/zinc/10/84/55/383108455.db2.gz VYCFHOIXCQZILH-UHFFFAOYSA-N 0 1 293.455 2.799 20 30 CFEDMN Cc1cccc(OC[C@@H](C)NC[C@@H](C#N)CCC#N)c1 ZINC000564845487 383172965 /nfs/dbraw/zinc/17/29/65/383172965.db2.gz BFDVOEIFZBJWQJ-HUUCEWRRSA-N 0 1 271.364 2.795 20 30 CFEDMN N#C[C@@H]1CN(C[C@H]2CCCC[C@H]2O)C[C@H]1c1ccccc1 ZINC000565049489 383175809 /nfs/dbraw/zinc/17/58/09/383175809.db2.gz QTSQBYONKSBRLL-ZJPYXAASSA-N 0 1 284.403 2.777 20 30 CFEDMN C=C(C)CN(Cc1ccc(CO)o1)[C@@H]1CC[C@@H](C#N)C1 ZINC000339192450 383182635 /nfs/dbraw/zinc/18/26/35/383182635.db2.gz FKHXYPZLDXRXEJ-ZIAGYGMSSA-N 0 1 274.364 2.842 20 30 CFEDMN CSC[C@H]1CCCN1Cc1ccc(C#N)cc1[N+](=O)[O-] ZINC000517573102 383185708 /nfs/dbraw/zinc/18/57/08/383185708.db2.gz WMIWZFCQAVAWHU-CYBMUJFWSA-N 0 1 291.376 2.794 20 30 CFEDMN CC[C@H](C(=O)N(C)[C@@H](C)CC#N)N(C)Cc1ccccc1 ZINC000339274079 383187781 /nfs/dbraw/zinc/18/77/81/383187781.db2.gz HQUYDEGJBQOMLQ-GOEBONIOSA-N 0 1 287.407 2.658 20 30 CFEDMN C=CCn1cccc1C(=O)N1CCC(c2cn[nH]c2C)CC1 ZINC000557173764 383153785 /nfs/dbraw/zinc/15/37/85/383153785.db2.gz RUMDSHWLCBISJI-UHFFFAOYSA-N 0 1 298.390 2.725 20 30 CFEDMN C=C(C)Cn1c(C2CC2)n[n-]c1=[NH+]c1cccc(OC)c1 ZINC000515934115 383161235 /nfs/dbraw/zinc/16/12/35/383161235.db2.gz DLDPADJONBMWMY-UHFFFAOYSA-N 0 1 284.363 2.906 20 30 CFEDMN C[C@H]1CCN(Cc2ccc(C#N)cc2[N+](=O)[O-])C[C@H]1C ZINC000520588787 383265097 /nfs/dbraw/zinc/26/50/97/383265097.db2.gz YDJDLRRATVTYBV-NWDGAFQWSA-N 0 1 273.336 2.944 20 30 CFEDMN N#C[C@@H]1CC[C@H](NCc2cccc(C(F)(F)F)n2)C1 ZINC000449403648 383268801 /nfs/dbraw/zinc/26/88/01/383268801.db2.gz XGMQUGNIDHNVMT-ZJUUUORDSA-N 0 1 269.270 2.882 20 30 CFEDMN C=C(C)C(C)(C)C(=O)N1CC[N@H+]([C@@H]2C[C@H]2C)C[C@H](C)C1 ZINC000424847460 383278224 /nfs/dbraw/zinc/27/82/24/383278224.db2.gz NIWTXAHCSPMIOU-RRFJBIMHSA-N 0 1 278.440 2.777 20 30 CFEDMN C[C@@](C#N)(NC(=O)CN1CCC(C)(C)C1)C1CCCCC1 ZINC000519604166 383229942 /nfs/dbraw/zinc/22/99/42/383229942.db2.gz FGTKTPGFZYOPHB-KRWDZBQOSA-N 0 1 291.439 2.697 20 30 CFEDMN C=CCCC[N@H+](C)[C@H](C(=O)[O-])c1ccccc1F ZINC000566979331 383230513 /nfs/dbraw/zinc/23/05/13/383230513.db2.gz SSEHXQXEXAPQGD-ZDUSSCGKSA-N 0 1 251.301 2.849 20 30 CFEDMN CC(C)N(Cc1cccc(OCCCC#N)c1)C1COC1 ZINC000449350310 383232820 /nfs/dbraw/zinc/23/28/20/383232820.db2.gz JWPUUXDGLRSCKV-UHFFFAOYSA-N 0 1 288.391 2.978 20 30 CFEDMN CC[C@@H]1CN(Cc2ccc(C#N)cc2C)C[C@@H](C)O1 ZINC000249124117 383328908 /nfs/dbraw/zinc/32/89/08/383328908.db2.gz IQVMWSJGGYBXBH-CZUORRHYSA-N 0 1 258.365 2.866 20 30 CFEDMN C=C(C)C(C)(C)C(=O)Nc1nc(-c2ccc(C)o2)n[nH]1 ZINC000425200396 383339311 /nfs/dbraw/zinc/33/93/11/383339311.db2.gz KXIFLPLUPYAMLZ-UHFFFAOYSA-N 0 1 274.324 2.914 20 30 CFEDMN CC1=CCN(CCNc2c(C#N)cccc2[N+](=O)[O-])CC1 ZINC000425241945 383347213 /nfs/dbraw/zinc/34/72/13/383347213.db2.gz OFSUJVSMRRYUHC-UHFFFAOYSA-N 0 1 286.335 2.530 20 30 CFEDMN CCN(C[C@H](O)[C@H](C)c1ccccc1)C[C@H](C)C#N ZINC000450330213 383390731 /nfs/dbraw/zinc/39/07/31/383390731.db2.gz SPPHXCPNXCGLOK-FMKPAKJESA-N 0 1 260.381 2.633 20 30 CFEDMN CC(C)[C@@H](C)NC(=O)C1CCN(CC2(C#N)CCC2)CC1 ZINC000450332715 383390921 /nfs/dbraw/zinc/39/09/21/383390921.db2.gz XSHLLZAXIMBHSO-CQSZACIVSA-N 0 1 291.439 2.553 20 30 CFEDMN C=C[C@H]1CCCCN1Cc1cnc(N2CCOCC2)s1 ZINC000426570751 383405717 /nfs/dbraw/zinc/40/57/17/383405717.db2.gz OKCSITCEAHLTRG-ZDUSSCGKSA-N 0 1 293.436 2.520 20 30 CFEDMN CCN(C[C@H](C)C#N)C(=O)CN(C)[C@H]1CCc2ccccc21 ZINC000249726296 383357487 /nfs/dbraw/zinc/35/74/87/383357487.db2.gz QCSOTRWRQHJKTD-PBHICJAKSA-N 0 1 299.418 2.614 20 30 CFEDMN CCN(C[C@@H](C)C#N)C(=O)CN(C)[C@H]1CCc2ccccc21 ZINC000249726298 383357695 /nfs/dbraw/zinc/35/76/95/383357695.db2.gz QCSOTRWRQHJKTD-YOEHRIQHSA-N 0 1 299.418 2.614 20 30 CFEDMN COC(=O)[C@@H]1CCN(CC#Cc2ccc(Cl)cc2)[C@H]1C ZINC000469831780 383372387 /nfs/dbraw/zinc/37/23/87/383372387.db2.gz SXZFGJXCKRTHOH-SWLSCSKDSA-N 0 1 291.778 2.575 20 30 CFEDMN C=CCOc1ccc(CN2C[C@@H](O)C[C@H]2C)cc1Cl ZINC000471806482 383378745 /nfs/dbraw/zinc/37/87/45/383378745.db2.gz WYIBUIOHSIJUPF-YPMHNXCESA-N 0 1 281.783 2.860 20 30 CFEDMN CC[C@@](C)(C(=O)OC)N(CCC(C)(C)C#N)CC1CC1 ZINC000425507730 383382879 /nfs/dbraw/zinc/38/28/79/383382879.db2.gz FVSWLHJXKGYGIR-INIZCTEOSA-N 0 1 280.412 2.980 20 30 CFEDMN C=C(CC)C[N@@H+](C)Cc1ccc(OCC(=O)[O-])cc1 ZINC000568641881 383422706 /nfs/dbraw/zinc/42/27/06/383422706.db2.gz UEMKMIQKXPJVFU-UHFFFAOYSA-N 0 1 263.337 2.548 20 30 CFEDMN N#CC1(CN(CCO)[C@H]2CCc3ccccc32)CCC1 ZINC000450475586 383427358 /nfs/dbraw/zinc/42/73/58/383427358.db2.gz YPBINPALBBQGGS-INIZCTEOSA-N 0 1 270.376 2.662 20 30 CFEDMN CC(C)(C)CN(CCCO)Cc1cccc(F)c1C#N ZINC000428250297 383437224 /nfs/dbraw/zinc/43/72/24/383437224.db2.gz ZJVNOEAWOZCMGN-UHFFFAOYSA-N 0 1 278.371 2.928 20 30 CFEDMN C=CCC1(C(=O)N2C[C@H](C)N(C)C[C@@H]2C)CCCC1 ZINC000450539672 383452314 /nfs/dbraw/zinc/45/23/14/383452314.db2.gz KSVVUOOKNOEIFY-KBPBESRZSA-N 0 1 264.413 2.674 20 30 CFEDMN C=CCOc1ccc(CN2C[C@@H](O)C3(CC3)C2)cc1Cl ZINC000428379589 383461352 /nfs/dbraw/zinc/46/13/52/383461352.db2.gz WPXMTDFPOUDVCH-OAHLLOKOSA-N 0 1 293.794 2.862 20 30 CFEDMN C=CCC1(C(=O)N2CCN(C)[C@H](C)[C@@H]2C)CCCC1 ZINC000450559410 383461469 /nfs/dbraw/zinc/46/14/69/383461469.db2.gz FLUULDMSPNHTPN-KGLIPLIRSA-N 0 1 264.413 2.674 20 30 CFEDMN CC(C)(O)CN(Cc1ccccc1)CC1(C#N)CCC1 ZINC000450687377 383482666 /nfs/dbraw/zinc/48/26/66/383482666.db2.gz ARYSWHMNTCGYFY-UHFFFAOYSA-N 0 1 272.392 2.953 20 30 CFEDMN C=CCCC[C@H](C)NC(=O)N1CCN(C)[C@H](C(C)C)C1 ZINC000486489199 383472295 /nfs/dbraw/zinc/47/22/95/383472295.db2.gz QCNSVDYQNWLION-GJZGRUSLSA-N 0 1 281.444 2.713 20 30 CFEDMN C=CCCCS(=O)(=O)Nc1cc(C2CCCC2)[nH]n1 ZINC000427791843 383416936 /nfs/dbraw/zinc/41/69/36/383416936.db2.gz YJYPAMWCKHZKQE-UHFFFAOYSA-N 0 1 283.397 2.775 20 30 CFEDMN C=CC[C@H](C(=O)N1C[C@H](C)N(C)C[C@@H]1C)c1ccccc1 ZINC000428023623 383420472 /nfs/dbraw/zinc/42/04/72/383420472.db2.gz LXRALQMFKUYZNY-ZOBUZTSGSA-N 0 1 286.419 2.897 20 30 CFEDMN Cc1cc(CN[C@H](C)c2cccc(C#N)c2)nc(C)n1 ZINC000340616274 383489445 /nfs/dbraw/zinc/48/94/45/383489445.db2.gz ASGOTWANFKIUCJ-GFCCVEGCSA-N 0 1 266.348 2.816 20 30 CFEDMN Cc1nc2ccc(NC(=O)C3(C#N)CCC3)cc2[nH]1 ZINC000258826635 383500258 /nfs/dbraw/zinc/50/02/58/383500258.db2.gz ROCNNKZGMRQCLP-UHFFFAOYSA-N 0 1 254.293 2.504 20 30 CFEDMN COCCN(Cc1ccc(CC#N)cc1)Cc1cccnc1 ZINC000429289504 383512754 /nfs/dbraw/zinc/51/27/54/383512754.db2.gz QKYRYSHSNIYNBQ-UHFFFAOYSA-N 0 1 295.386 2.796 20 30 CFEDMN N#Cc1c(NCCN2CCCOCC2)cccc1C(F)F ZINC000569631167 383522009 /nfs/dbraw/zinc/52/20/09/383522009.db2.gz BVYGIBJORMWPKD-UHFFFAOYSA-N 0 1 295.333 2.630 20 30 CFEDMN C=CCN1CC[C@@H](N(C)C[C@H]2CCCCC2(F)F)C1=O ZINC000450897997 383540209 /nfs/dbraw/zinc/54/02/09/383540209.db2.gz AYGYCPUMYZZQTE-CHWSQXEVSA-N 0 1 286.366 2.531 20 30 CFEDMN COCCC1CCN(Cc2ccccc2C#N)CC1 ZINC000528573585 383581599 /nfs/dbraw/zinc/58/15/99/383581599.db2.gz LBCDQQKLJTXZSA-UHFFFAOYSA-N 0 1 258.365 2.807 20 30 CFEDMN COCCC1CCN(Cc2cccc(C#N)c2F)CC1 ZINC000528578012 383582528 /nfs/dbraw/zinc/58/25/28/383582528.db2.gz UXZZDCMZGHYYBJ-UHFFFAOYSA-N 0 1 276.355 2.946 20 30 CFEDMN N#Cc1ccc(CC(=O)Nc2nc3ccc(F)cc3[nH]2)cc1 ZINC000488920649 383583334 /nfs/dbraw/zinc/58/33/34/383583334.db2.gz QCMMTOYYFXXSTG-UHFFFAOYSA-N 0 1 294.289 2.755 20 30 CFEDMN CCc1occc1C(=O)C(C#N)c1cc(C)nc(C)n1 ZINC000430527351 383594892 /nfs/dbraw/zinc/59/48/92/383594892.db2.gz UUQXGFBBDZXZPZ-LBPRGKRZSA-N 0 1 269.304 2.739 20 30 CFEDMN N#CCCN[C@@H]1CCCN(Cc2ccc(F)cc2Cl)C1 ZINC000570038041 383563656 /nfs/dbraw/zinc/56/36/56/383563656.db2.gz RGPCQDFLGOYPJT-CQSZACIVSA-N 0 1 295.789 2.947 20 30 CFEDMN N#CCc1ccc(CN2CCC[C@H]2c2ccc(=O)[nH]n2)cc1 ZINC000528788274 383638093 /nfs/dbraw/zinc/63/80/93/383638093.db2.gz LRQNVTWSFLRLTP-INIZCTEOSA-N 0 1 294.358 2.585 20 30 CFEDMN CCO[C@@H]1CC[N@@H+](Cc2cc(C#N)ccc2OC)C[C@@H]1C ZINC000451527911 383636311 /nfs/dbraw/zinc/63/63/11/383636311.db2.gz HQXZPEARXHPCIQ-XJKSGUPXSA-N 0 1 288.391 2.814 20 30 CFEDMN CCO[C@@H]1CCN(Cc2cc(C#N)ccc2OC)C[C@@H]1C ZINC000451527911 383636315 /nfs/dbraw/zinc/63/63/15/383636315.db2.gz HQXZPEARXHPCIQ-XJKSGUPXSA-N 0 1 288.391 2.814 20 30 CFEDMN N#CC(C(=O)Nc1ccccc1)C(=O)[C@H]1CCCC12CC2 ZINC000528917482 383675981 /nfs/dbraw/zinc/67/59/81/383675981.db2.gz GGPLZSUWNIKMOZ-UONOGXRCSA-N 0 1 282.343 2.914 20 30 CFEDMN C[C@H]1[C@@H](C2CC2)[C@H]1C(=O)C(C#N)C(=O)Nc1ccccc1 ZINC000528915158 383676313 /nfs/dbraw/zinc/67/63/13/383676313.db2.gz AKWIVHHUWXOIBP-PUPMMZHASA-N 0 1 282.343 2.626 20 30 CFEDMN N#Cc1ccc(CNCCOCC2CCC2)c(F)c1 ZINC000571254911 383676654 /nfs/dbraw/zinc/67/66/54/383676654.db2.gz XOVYRSAKAGQTSN-UHFFFAOYSA-N 0 1 262.328 2.604 20 30 CFEDMN CCN(CCC#N)C(=O)CN1CCC[C@H](c2ccccc2)C1 ZINC000433063536 383754059 /nfs/dbraw/zinc/75/40/59/383754059.db2.gz STPDOLSSNYILRH-KRWDZBQOSA-N 0 1 299.418 2.628 20 30 CFEDMN C=C(C)CN(Cc1cnn(C(C)C)c1)C[C@H](O)C(C)C ZINC000433199148 383756538 /nfs/dbraw/zinc/75/65/38/383756538.db2.gz KAZHQDQZOZMXDE-INIZCTEOSA-N 0 1 279.428 2.859 20 30 CFEDMN CN(CCC(=O)Nc1ccc(F)cc1)CC(C)(C)C#N ZINC000433297128 383759058 /nfs/dbraw/zinc/75/90/58/383759058.db2.gz VJCIDPRMVQVHFM-UHFFFAOYSA-N 0 1 277.343 2.636 20 30 CFEDMN CCC(C#N)(CC)C(=O)N[C@@H]1CCN(C)[C@H]1c1ccccc1 ZINC000528911586 383675114 /nfs/dbraw/zinc/67/51/14/383675114.db2.gz AKCNADLETUKDDC-CVEARBPZSA-N 0 1 299.418 2.878 20 30 CFEDMN C=CCN1CC[C@@H](NC2(c3ccccc3F)CCC2)C1=O ZINC000646024899 383824845 /nfs/dbraw/zinc/82/48/45/383824845.db2.gz WPQTXQNVQPLTOJ-OAHLLOKOSA-N 0 1 288.366 2.581 20 30 CFEDMN C=CC1CCN(Cc2ccc(C#N)cc2[N+](=O)[O-])CC1 ZINC000572486797 383785991 /nfs/dbraw/zinc/78/59/91/383785991.db2.gz KIQPLTNNJREFQV-UHFFFAOYSA-N 0 1 271.320 2.864 20 30 CFEDMN CCCCCN(CCO)Cc1ccc(C#N)cc1F ZINC000264829315 383787242 /nfs/dbraw/zinc/78/72/42/383787242.db2.gz IKYWCBCFDLDESQ-UHFFFAOYSA-N 0 1 264.344 2.682 20 30 CFEDMN C=C1CC(C)(C(=O)N2CCN(C)[C@H](C(C)(C)C)C2)C1 ZINC000640611673 383845263 /nfs/dbraw/zinc/84/52/63/383845263.db2.gz IWOLRPSZXXNHKG-ZDUSSCGKSA-N 0 1 264.413 2.531 20 30 CFEDMN C=CCN(CC=C)C(=O)CN1CC[C@H]1Cc1ccccc1 ZINC000437821938 383910821 /nfs/dbraw/zinc/91/08/21/383910821.db2.gz KOJCEYMZVKGEPN-KRWDZBQOSA-N 0 1 284.403 2.504 20 30 CFEDMN N#CCCCCNC(=O)c1cccc(C(F)(F)F)c1O ZINC000573217490 383893579 /nfs/dbraw/zinc/89/35/79/383893579.db2.gz HSAMVVTYBBXYCD-UHFFFAOYSA-N 0 1 286.253 2.835 20 30 CFEDMN C=CCNC(=O)[C@@H](C)N1CCC[C@H]1c1cccs1 ZINC000265772351 383995360 /nfs/dbraw/zinc/99/53/60/383995360.db2.gz DQVQUPRYBUYBHP-NEPJUHHUSA-N 0 1 264.394 2.576 20 30 CFEDMN C=CCCCCn1cc([C@@H](N)c2ccc(F)cc2)nn1 ZINC000640939383 383959235 /nfs/dbraw/zinc/95/92/35/383959235.db2.gz OLIIAKGZSBBGLL-HNNXBMFYSA-N 0 1 274.343 2.822 20 30 CFEDMN COc1cc(CN[C@@H](C)c2n[nH]c(C(C)C)n2)ccc1C#N ZINC000440614911 384114226 /nfs/dbraw/zinc/11/42/26/384114226.db2.gz NYGPLKLJUXZEIP-NSHDSACASA-N 0 1 299.378 2.659 20 30 CFEDMN CC[C@@H](F)CN1CCCN(c2ccccc2C#N)CC1 ZINC000440704341 384127603 /nfs/dbraw/zinc/12/76/03/384127603.db2.gz VBFRBWKOPNPXKH-OAHLLOKOSA-N 0 1 275.371 2.818 20 30 CFEDMN C#CCN(CCCc1nc(C)no1)Cc1ccc(F)cc1 ZINC000266890889 384255833 /nfs/dbraw/zinc/25/58/33/384255833.db2.gz SKKXKDQMVSLQCN-UHFFFAOYSA-N 0 1 287.338 2.585 20 30 CFEDMN CC#CC[C@@H](CO)NCc1ccc(-c2ccccc2F)o1 ZINC000641768726 384335298 /nfs/dbraw/zinc/33/52/98/384335298.db2.gz GPTJEAQVKBPNMG-ZDUSSCGKSA-N 0 1 287.334 2.950 20 30 CFEDMN N#Cc1ccc(CNCc2ccnc(N3CCCC3)c2)s1 ZINC000267227871 384329343 /nfs/dbraw/zinc/32/93/43/384329343.db2.gz VCGVPPHLCLYWIK-UHFFFAOYSA-N 0 1 298.415 2.905 20 30 CFEDMN CC#CC[C@@H](CO)NCc1ccc(-c2ccccc2)o1 ZINC000641768542 384334424 /nfs/dbraw/zinc/33/44/24/384334424.db2.gz BXWQHYPHLLKUAY-HNNXBMFYSA-N 0 1 269.344 2.811 20 30 CFEDMN C=CCCCN1CCN(c2ncc(C)s2)CC1 ZINC000267453800 384396319 /nfs/dbraw/zinc/39/63/19/384396319.db2.gz SFSUTDXKPBXIMT-UHFFFAOYSA-N 0 1 251.399 2.540 20 30 CFEDMN C=CCCCC(=O)N[C@@H](C)c1n[nH]c([C@@H](C)CC)n1 ZINC000277762103 384398463 /nfs/dbraw/zinc/39/84/63/384398463.db2.gz IIGXBYHGTWGTKV-QWRGUYRKSA-N 0 1 264.373 2.852 20 30 CFEDMN C=CCN1CC[C@@H](N(CC)[C@@H](C)c2cccc(O)c2)C1=O ZINC000281138654 195120240 /nfs/dbraw/zinc/12/02/40/195120240.db2.gz AJHPKYPOFLDZOA-XJKSGUPXSA-N 0 1 288.391 2.562 20 30 CFEDMN C=C(C)CN1CCC[C@@H](Oc2ncccc2F)C1 ZINC000278349152 384536291 /nfs/dbraw/zinc/53/62/91/384536291.db2.gz CZVBONCTORSFHJ-GFCCVEGCSA-N 0 1 250.317 2.640 20 30 CFEDMN N#Cc1ccc(F)cc1CN1CCC2(C1)CCOCC2 ZINC000268264811 384584375 /nfs/dbraw/zinc/58/43/75/384584375.db2.gz APSHEKIMXOQIKP-UHFFFAOYSA-N 0 1 274.339 2.700 20 30 CFEDMN N#Cc1ccc(N[C@H]2CCCc3cn[nH]c32)c([N+](=O)[O-])c1 ZINC000268792518 384663917 /nfs/dbraw/zinc/66/39/17/384663917.db2.gz AOZJMVAKTJRFAK-LBPRGKRZSA-N 0 1 283.291 2.679 20 30 CFEDMN N#CC1(C(=O)Nc2ncc(C(F)(F)F)[nH]2)CCCCC1 ZINC000268747366 384655162 /nfs/dbraw/zinc/65/51/62/384655162.db2.gz SIRYPHISAOWNFG-UHFFFAOYSA-N 0 1 286.257 2.841 20 30 CFEDMN N#CCc1ccc(NC(=O)N[C@@H]2CCCc3cn[nH]c32)cc1 ZINC000268889501 384686985 /nfs/dbraw/zinc/68/69/85/384686985.db2.gz JGHIHEIIOYMGOL-CQSZACIVSA-N 0 1 295.346 2.675 20 30 CFEDMN CC(C)n1nccc1CNCc1cccc(C#N)c1 ZINC000279778091 384757186 /nfs/dbraw/zinc/75/71/86/384757186.db2.gz BVPAXPWZMDWMMS-UHFFFAOYSA-N 0 1 254.337 2.625 20 30 CFEDMN N#Cc1ccc(OC2CCN(Cc3ccncc3)CC2)cc1 ZINC000269653515 384821441 /nfs/dbraw/zinc/82/14/41/384821441.db2.gz ZVVYSHGQGISUPH-UHFFFAOYSA-N 0 1 293.370 2.997 20 30 CFEDMN CCCCN(CC(=O)Nc1oc(C)c(C)c1C#N)C1CC1 ZINC000269546101 384784373 /nfs/dbraw/zinc/78/43/73/384784373.db2.gz WQODUPOGKHYYLC-UHFFFAOYSA-N 0 1 289.379 2.971 20 30 CFEDMN CO[C@H]1CCN(CC#Cc2ccc(OC(F)(F)F)cc2)C1 ZINC000269577672 384793691 /nfs/dbraw/zinc/79/36/91/384793691.db2.gz DBQFDRUSFHWDLO-AWEZNQCLSA-N 0 1 299.292 2.657 20 30 CFEDMN CC#CCN[C@H](C)c1ccc(Br)cn1 ZINC000279918808 384813675 /nfs/dbraw/zinc/81/36/75/384813675.db2.gz ABDCFFQSEHDAIZ-SECBINFHSA-N 0 1 253.143 2.518 20 30 CFEDMN C=CC[C@H](C(=O)NCCN1CC=CCC1)c1ccccc1 ZINC000279922695 384813784 /nfs/dbraw/zinc/81/37/84/384813784.db2.gz GHERYYUSWPIVJQ-KRWDZBQOSA-N 0 1 284.403 2.724 20 30 CFEDMN C=CCCCNC(=O)NC[C@@H](c1ccsc1)N(C)C ZINC000280087219 384878310 /nfs/dbraw/zinc/87/83/10/384878310.db2.gz NIZJUAJMLJUTRA-ZDUSSCGKSA-N 0 1 281.425 2.616 20 30 CFEDMN C=CCCC(C)(C)CNC(=O)[C@@H]1Cc2ccccc2CN1 ZINC000638875203 385008955 /nfs/dbraw/zinc/00/89/55/385008955.db2.gz OREZLELJEPEYQN-INIZCTEOSA-N 0 1 286.419 2.810 20 30 CFEDMN C[C@H](C#N)CN(C)C(=O)c1cc(C2CCCCC2)[nH]n1 ZINC000270301053 385046792 /nfs/dbraw/zinc/04/67/92/385046792.db2.gz RXBZPFGGACCVMU-LLVKDONJSA-N 0 1 274.368 2.689 20 30 CFEDMN C#CCN1CCC(C(=O)N2CC=C(C(C)(C)C)CC2)CC1 ZINC000270497302 385124853 /nfs/dbraw/zinc/12/48/53/385124853.db2.gz VTPAEHZUWWPUQY-UHFFFAOYSA-N 0 1 288.435 2.536 20 30 CFEDMN C=CC[N@@H+](CCn1cc[nH+]c1C)Cc1ccccc1 ZINC000270665082 385181608 /nfs/dbraw/zinc/18/16/08/385181608.db2.gz PTFSLZRGUMTRFO-UHFFFAOYSA-N 0 1 255.365 2.880 20 30 CFEDMN C#CCCOc1ccc(CN[C@H](C)c2n[nH]c(CC)n2)cc1 ZINC000270549995 385143208 /nfs/dbraw/zinc/14/32/08/385143208.db2.gz BBLQZDHGKLDNBI-CYBMUJFWSA-N 0 1 298.390 2.620 20 30 CFEDMN C#CCOc1ccc(CN[C@@H](C)c2n[nH]c(C(C)C)n2)cc1 ZINC000270707908 385200597 /nfs/dbraw/zinc/20/05/97/385200597.db2.gz KHDSHKXNBZCLGX-ZDUSSCGKSA-N 0 1 298.390 2.791 20 30 CFEDMN C=C(C)COc1cc(CNCCF)ccc1OC ZINC000280826461 385169794 /nfs/dbraw/zinc/16/97/94/385169794.db2.gz WASGBJYEEZQLDX-UHFFFAOYSA-N 0 1 253.317 2.709 20 30 CFEDMN CC(C)c1nc([C@H](C)NC(=O)Nc2cccc(C#N)c2)n[nH]1 ZINC000270726177 385206291 /nfs/dbraw/zinc/20/62/91/385206291.db2.gz POSXVSRCWCSQOO-JTQLQIEISA-N 0 1 298.350 2.682 20 30 CFEDMN C=CCn1c([C@@H](C)CC)nnc1N1CCN(CCC)CC1 ZINC000282141867 385224388 /nfs/dbraw/zinc/22/43/88/385224388.db2.gz BMMGGUVQLWMKPT-AWEZNQCLSA-N 0 1 291.443 2.510 20 30 CFEDMN C=C[C@@H]1CCCCN1Cc1cnc(CCOC)s1 ZINC000639110671 385204498 /nfs/dbraw/zinc/20/44/98/385204498.db2.gz AKTFGVCZYUUVSO-GFCCVEGCSA-N 0 1 266.410 2.873 20 30 CFEDMN COc1cc(CN2CCS[C@H](C)[C@H]2C)ccc1C#N ZINC000282443242 385312640 /nfs/dbraw/zinc/31/26/40/385312640.db2.gz UPJKERJBPXKGQX-VXGBXAGGSA-N 0 1 276.405 2.893 20 30 CFEDMN COc1cc(CN2CCS[C@@H](C)[C@H]2C)ccc1C#N ZINC000282443238 385312884 /nfs/dbraw/zinc/31/28/84/385312884.db2.gz UPJKERJBPXKGQX-NEPJUHHUSA-N 0 1 276.405 2.893 20 30 CFEDMN C#CCCCN(C)CC(=O)Nc1ccccc1SC ZINC000271038826 385316003 /nfs/dbraw/zinc/31/60/03/385316003.db2.gz MPZMCHSRFSYYIQ-UHFFFAOYSA-N 0 1 276.405 2.692 20 30 CFEDMN CCC1(CO)CCN(CC#Cc2ccc(F)cc2)CC1 ZINC000270946449 385278916 /nfs/dbraw/zinc/27/89/16/385278916.db2.gz WRJWGOFCNIVGJB-UHFFFAOYSA-N 0 1 275.367 2.662 20 30 CFEDMN COc1cc(CN2CC[C@H](OCC(C)C)C2)ccc1C#N ZINC000282337216 385286739 /nfs/dbraw/zinc/28/67/39/385286739.db2.gz OQAPCVBCANEJSC-INIZCTEOSA-N 0 1 288.391 2.814 20 30 CFEDMN C=C1CCN(Cc2ccc(N3CCCC3)nc2)CC1 ZINC000271147462 385351805 /nfs/dbraw/zinc/35/18/05/385351805.db2.gz BESDHQULUDTKHS-UHFFFAOYSA-N 0 1 257.381 2.834 20 30 CFEDMN C=C(C)[C@H]1OCC[C@H]1CNC(=O)c1cccc2nc(C)[nH]c21 ZINC000282693482 385371293 /nfs/dbraw/zinc/37/12/93/385371293.db2.gz FGKUCAWFWUBVFG-BLLLJJGKSA-N 0 1 299.374 2.582 20 30 CFEDMN C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)c1cccc2nc(C)[nH]c21 ZINC000282693486 385371577 /nfs/dbraw/zinc/37/15/77/385371577.db2.gz FGKUCAWFWUBVFG-WBMJQRKESA-N 0 1 299.374 2.582 20 30 CFEDMN C#CCCN1CCN([C@H](C)c2ccc(F)c(F)c2)CC1 ZINC000272009542 385424661 /nfs/dbraw/zinc/42/46/61/385424661.db2.gz JYPHGXZQZODDHN-CYBMUJFWSA-N 0 1 278.346 2.667 20 30 CFEDMN C[C@H](NC[C@](C)(O)C(F)(F)F)c1ccc(C#N)c(F)c1 ZINC000271911856 385397582 /nfs/dbraw/zinc/39/75/82/385397582.db2.gz AWEQPNQYJIRYKN-UFBFGSQYSA-N 0 1 290.260 2.661 20 30 CFEDMN C=CC[C@H]1CCCN(Cc2cnc(OC)s2)C1 ZINC000639311670 385438471 /nfs/dbraw/zinc/43/84/71/385438471.db2.gz USZFUQHDFKLZBL-NSHDSACASA-N 0 1 252.383 2.940 20 30 CFEDMN C=CCNC(=O)CN(Cc1ccc(OC)cc1)C(C)(C)C ZINC000288949887 197198562 /nfs/dbraw/zinc/19/85/62/197198562.db2.gz XJIOXMKHXLYZRB-UHFFFAOYSA-N 0 1 290.407 2.598 20 30 CFEDMN CC#CC(=O)Nc1cc(CN2CCSCC2)ccc1C ZINC000283419286 385464852 /nfs/dbraw/zinc/46/48/52/385464852.db2.gz USFVKXDKWXRKMZ-UHFFFAOYSA-N 0 1 288.416 2.506 20 30 CFEDMN C#CCN1CCC[C@@H](c2nnc(C3CCCCC3)[nH]2)C1 ZINC000272181447 385467611 /nfs/dbraw/zinc/46/76/11/385467611.db2.gz CUZHPBHUMPWCMW-CQSZACIVSA-N 0 1 272.396 2.665 20 30 CFEDMN CC[N@@H+](Cc1ccc(OC)nn1)[C@@H](C)c1ccc(C#N)cc1 ZINC000283614221 385480571 /nfs/dbraw/zinc/48/05/71/385480571.db2.gz RERWWCJQNKASQE-ZDUSSCGKSA-N 0 1 296.374 2.940 20 30 CFEDMN CCN(Cc1ccc(OC)nn1)[C@@H](C)c1ccc(C#N)cc1 ZINC000283614221 385480575 /nfs/dbraw/zinc/48/05/75/385480575.db2.gz RERWWCJQNKASQE-ZDUSSCGKSA-N 0 1 296.374 2.940 20 30 CFEDMN Cc1ccccc1CN1CCN(c2ccnc(C#N)c2)CC1 ZINC000285828902 385557976 /nfs/dbraw/zinc/55/79/76/385557976.db2.gz ZTYDBHJKUJKKHG-UHFFFAOYSA-N 0 1 292.386 2.584 20 30 CFEDMN CN(Cc1cc(C#N)ccc1F)C[C@H]1CCCC[C@@H]1O ZINC000272545849 385562562 /nfs/dbraw/zinc/56/25/62/385562562.db2.gz OFUXXASFRVVQJI-CJNGLKHVSA-N 0 1 276.355 2.680 20 30 CFEDMN CN(Cc1ccc(C#N)cc1F)C[C@H]1CCCC[C@@H]1O ZINC000272591149 385571295 /nfs/dbraw/zinc/57/12/95/385571295.db2.gz TVFGQTCTZOMQFK-ZBFHGGJFSA-N 0 1 276.355 2.680 20 30 CFEDMN C#CCN(Cc1cc(=O)oc2cc(C)ccc12)C1CC1 ZINC000274251213 385748523 /nfs/dbraw/zinc/74/85/23/385748523.db2.gz ZTZFHLXHWZHYIA-UHFFFAOYSA-N 0 1 267.328 2.699 20 30 CFEDMN CCOC1CC(N(C)Cc2ccc(C#N)cc2OC)C1 ZINC000287080537 385776336 /nfs/dbraw/zinc/77/63/36/385776336.db2.gz WJCYGPDDTOAUEP-UHFFFAOYSA-N 0 1 274.364 2.566 20 30 CFEDMN CC#CCCCC(=O)Nc1cccc(-c2nnc[nH]2)c1 ZINC000274376577 385780656 /nfs/dbraw/zinc/78/06/56/385780656.db2.gz XPZNDXISIDIBBD-UHFFFAOYSA-N 0 1 268.320 2.604 20 30 CFEDMN CCc1nc(CSc2nc3c(c(C)c2C#N)CCC3)n[nH]1 ZINC000274761600 385865981 /nfs/dbraw/zinc/86/59/81/385865981.db2.gz QYUBNHLBCJEBDA-UHFFFAOYSA-N 0 1 299.403 2.723 20 30 CFEDMN C=C(C)CCN(C)[C@@H]1CCN(c2ccccc2F)C1=O ZINC000274779451 385870188 /nfs/dbraw/zinc/87/01/88/385870188.db2.gz KGZOVXGDMBYCKQ-OAHLLOKOSA-N 0 1 276.355 2.829 20 30 CFEDMN CC[C@@]1(CO)CCCN(CC#Cc2ccccc2)C1 ZINC000276899242 386073661 /nfs/dbraw/zinc/07/36/61/386073661.db2.gz DBVQRKGRJRIFFX-QGZVFWFLSA-N 0 1 257.377 2.523 20 30 CFEDMN C=CCN(C)Cc1ccc([N+](=O)[O-])c(OCC)c1 ZINC000276913086 386077265 /nfs/dbraw/zinc/07/72/65/386077265.db2.gz NQUPRXIYYZIYSX-UHFFFAOYSA-N 0 1 250.298 2.611 20 30 CFEDMN C=C[C@@H](CC(=O)N1CCN(CC)C[C@@H]1C)c1ccccc1 ZINC000288216003 197028663 /nfs/dbraw/zinc/02/86/63/197028663.db2.gz CPGJMTRLVIICTQ-HOTGVXAUSA-N 0 1 286.419 2.899 20 30 CFEDMN C=C[C@H](CC(=O)N1CCN(CC)C[C@H]1C)c1ccccc1 ZINC000288216008 197027830 /nfs/dbraw/zinc/02/78/30/197027830.db2.gz CPGJMTRLVIICTQ-HZPDHXFCSA-N 0 1 286.419 2.899 20 30 CFEDMN CC[C@@H]1CN(Cc2ccc(OC)c(C#N)c2)CCCO1 ZINC000281223469 195156111 /nfs/dbraw/zinc/15/61/11/195156111.db2.gz KPAQLAOPQHEUOZ-OAHLLOKOSA-N 0 1 274.364 2.568 20 30 CFEDMN C=CCN1CC[C@H](N[C@@H](C)c2cc3ccccc3o2)C1=O ZINC000281253973 195169264 /nfs/dbraw/zinc/16/92/64/195169264.db2.gz HAGJIOJNCODXMX-JSGCOSHPSA-N 0 1 284.359 2.870 20 30 CFEDMN C=CCSc1ccccc1C(=O)NCc1cc(C)[nH]n1 ZINC000681622953 542469805 /nfs/dbraw/zinc/46/98/05/542469805.db2.gz RMACUYCGSSQTAI-UHFFFAOYSA-N 0 1 287.388 2.926 20 30 CFEDMN CC[C@H]1CN(Cc2ccc(C#N)cc2OC)CCCO1 ZINC000281301084 195187695 /nfs/dbraw/zinc/18/76/95/195187695.db2.gz HNRQHRHLLUHMHT-HNNXBMFYSA-N 0 1 274.364 2.568 20 30 CFEDMN COCC#CCN1CCC(c2nc3cccc(C)c3o2)CC1 ZINC000682043541 542510874 /nfs/dbraw/zinc/51/08/74/542510874.db2.gz ZRSJQHGQTGXAJP-UHFFFAOYSA-N 0 1 298.386 2.965 20 30 CFEDMN COc1cccc(-c2[nH]ccc3ncc(C#N)c2-3)n1 ZINC001243095368 781984092 /nfs/dbraw/zinc/98/40/92/781984092.db2.gz JUAUHQBKUJGILU-UHFFFAOYSA-N 0 1 250.261 2.505 20 30 CFEDMN C=CC[C@@H](CC)NC(=O)Cc1[nH]nc2ccccc21 ZINC000281702877 195344633 /nfs/dbraw/zinc/34/46/33/195344633.db2.gz MDJKAMLFOHHYSO-LLVKDONJSA-N 0 1 257.337 2.576 20 30 CFEDMN CO[C@@H]1CCN(Cc2cn3ccccc3c2C#N)[C@@H](C)C1 ZINC000281743108 195361713 /nfs/dbraw/zinc/36/17/13/195361713.db2.gz QNVATCZRJQGPLD-DZGCQCFKSA-N 0 1 283.375 2.810 20 30 CFEDMN Cc1n[nH]c(C(=O)N[C@@H](C#N)c2ccc(Cl)cc2)c1C ZINC000336627949 533668206 /nfs/dbraw/zinc/66/82/06/533668206.db2.gz VQDRUPKPDMZICG-LBPRGKRZSA-N 0 1 288.738 2.675 20 30 CFEDMN C=CCc1cccc(C(C)C)c1NC(=O)NCc1c[nH]nn1 ZINC000682777150 542591066 /nfs/dbraw/zinc/59/10/66/542591066.db2.gz FPVAYKLUWGQJQR-UHFFFAOYSA-N 0 1 299.378 2.978 20 30 CFEDMN N#Cc1ccc(F)cc1CN1CCCCC[C@H]1CCO ZINC000342022814 130205063 /nfs/dbraw/zinc/20/50/63/130205063.db2.gz PSSJEBLEHPHDRI-INIZCTEOSA-N 0 1 276.355 2.824 20 30 CFEDMN N#Cc1ccc(CNCc2cccc(-n3ccnc3)c2)o1 ZINC000355706311 130338498 /nfs/dbraw/zinc/33/84/98/130338498.db2.gz OZNOUOZERHTGRD-UHFFFAOYSA-N 0 1 278.315 2.627 20 30 CFEDMN COc1ccc([C@@H](CCO)NCC#Cc2ccccc2)cc1 ZINC000192149430 130383088 /nfs/dbraw/zinc/38/30/88/130383088.db2.gz BJYYAOGJERTCFU-LJQANCHMSA-N 0 1 295.382 2.760 20 30 CFEDMN COC[C@H](NCc1cc(C#N)n(C)c1)c1ccc(F)cc1 ZINC000359740501 130538676 /nfs/dbraw/zinc/53/86/76/130538676.db2.gz STIGSLAVILZOSM-INIZCTEOSA-N 0 1 287.338 2.513 20 30 CFEDMN CCCC(=O)N[C@@H]1CCCN([C@H](C)c2ccc(C#N)cc2)C1 ZINC000246396238 131093775 /nfs/dbraw/zinc/09/37/75/131093775.db2.gz OTBPYKAHZKCQPV-RHSMWYFYSA-N 0 1 299.418 3.000 20 30 CFEDMN C=C(C)CN(C)CC(=O)NCCc1ccc(Cl)cc1 ZINC000181250304 413055347 /nfs/dbraw/zinc/05/53/47/413055347.db2.gz OMMQQMFLMVZLMK-UHFFFAOYSA-N 0 1 280.799 2.507 20 30 CFEDMN C=CCN1CC[C@@H](N(CC)[C@H]2CCCc3cccnc32)C1=O ZINC000374084227 393482968 /nfs/dbraw/zinc/48/29/68/393482968.db2.gz OSWCBWATQDGIGR-JKSUJKDBSA-N 0 1 299.418 2.568 20 30 CFEDMN C=CCN1CC[C@@H](N[C@H](c2ccccn2)C2CCCC2)C1=O ZINC000373857080 393474661 /nfs/dbraw/zinc/47/46/61/393474661.db2.gz WPAZLZDAFFXNHE-SJORKVTESA-N 0 1 299.418 2.689 20 30 CFEDMN CCN1CCC[C@@H](NC(=O)c2oc(C3CC3)nc2C)C1 ZINC000329519580 393540179 /nfs/dbraw/zinc/54/01/79/393540179.db2.gz OBKDNEXLXUOJAG-GFCCVEGCSA-N 0 1 277.368 2.649 20 30 CFEDMN CCc1nnc(SCc2ccc(C#N)cc2C)[nH]1 ZINC000186248134 393542028 /nfs/dbraw/zinc/54/20/28/393542028.db2.gz PKAROMPQICSWNW-UHFFFAOYSA-N 0 1 258.350 2.840 20 30 CFEDMN CCc1n[nH]c(SCc2ccc(C#N)cc2C)n1 ZINC000186248134 393542034 /nfs/dbraw/zinc/54/20/34/393542034.db2.gz PKAROMPQICSWNW-UHFFFAOYSA-N 0 1 258.350 2.840 20 30 CFEDMN C=C(C)CN(C)CC(=O)NCCC1=CCCCC1 ZINC000181328302 393493457 /nfs/dbraw/zinc/49/34/57/393493457.db2.gz ZMAJNHBWKGPQQN-UHFFFAOYSA-N 0 1 250.386 2.501 20 30 CFEDMN CCCCCN1C[C@H](C#N)[C@@]2(C1)c1ccccc1NC2=O ZINC000374354465 393494324 /nfs/dbraw/zinc/49/43/24/393494324.db2.gz UIXGODPAHHUHIE-GUYCJALGSA-N 0 1 283.375 2.522 20 30 CFEDMN CCCCCCN1C[C@@H](C#N)[C@]2(C1)c1ccccc1NC2=O ZINC000374369220 393495234 /nfs/dbraw/zinc/49/52/34/393495234.db2.gz YCFOEDRCJDLGBI-RDTXWAMCSA-N 0 1 297.402 2.912 20 30 CFEDMN O=C(N[C@H]1CCc2nc[nH]c2C1)C1Cc2ccccc2C1 ZINC000329636773 393544882 /nfs/dbraw/zinc/54/48/82/393544882.db2.gz YILRNVQFYXHPIP-AWEZNQCLSA-N 0 1 281.359 2.639 20 30 CFEDMN CCCCCNC(=O)[C@@H](C)N[C@H](C)c1ccc(C#N)cc1 ZINC000037502343 393532432 /nfs/dbraw/zinc/53/24/32/393532432.db2.gz DBPTYQIKMUQBCZ-ZIAGYGMSSA-N 0 1 287.407 2.904 20 30 CFEDMN CCCNC(=O)[C@@H](C)N(CCC)Cc1ccc(C#N)cc1 ZINC000411166795 393678549 /nfs/dbraw/zinc/67/85/49/393678549.db2.gz MXAXOYSRWMVQLK-CQSZACIVSA-N 0 1 287.407 2.685 20 30 CFEDMN CCCNC(=O)[C@H](C)N(CCC)Cc1ccc(C#N)cc1 ZINC000411166794 393678962 /nfs/dbraw/zinc/67/89/62/393678962.db2.gz MXAXOYSRWMVQLK-AWEZNQCLSA-N 0 1 287.407 2.685 20 30 CFEDMN C=C(C)C(C)(C)C(=O)N1CCC[C@@H]2C[N@@H+](C)CC[C@@H]21 ZINC000335116600 393644155 /nfs/dbraw/zinc/64/41/55/393644155.db2.gz LOFXBQXCLNVOBO-KGLIPLIRSA-N 0 1 264.413 2.531 20 30 CFEDMN CC(C)Oc1ccc(NC(=O)CCc2cnc[nH]2)cc1C#N ZINC000193615386 393658343 /nfs/dbraw/zinc/65/83/43/393658343.db2.gz XUOTZDHPRXHLNF-UHFFFAOYSA-N 0 1 298.346 2.640 20 30 CFEDMN N#C[C@@H]1CC[C@H](N2CCO[C@@H](C3CCCCC3)C2)C1 ZINC000339089148 393817424 /nfs/dbraw/zinc/81/74/24/393817424.db2.gz LTVZZHLSFIZZOS-VNQPRFMTSA-N 0 1 262.397 2.960 20 30 CFEDMN C=CCCCN1CCN(CC(F)(F)F)[C@H](C)C1 ZINC000342875879 393873034 /nfs/dbraw/zinc/87/30/34/393873034.db2.gz YYJVCZUGCHBTQQ-LLVKDONJSA-N 0 1 250.308 2.521 20 30 CFEDMN CCN(CC)[C@@H](C(=O)NCC1(C#N)CCC1)c1ccccc1 ZINC000416361822 393911927 /nfs/dbraw/zinc/91/19/27/393911927.db2.gz ZXDWIZXVXGLXMI-MRXNPFEDSA-N 0 1 299.418 2.880 20 30 CFEDMN COc1ccc([C@@H]2CCN(CC3(C#N)CC3)C2)cc1 ZINC000343313456 393884257 /nfs/dbraw/zinc/88/42/57/393884257.db2.gz IFVMFQYBHABFTC-CQSZACIVSA-N 0 1 256.349 2.788 20 30 CFEDMN C=CCOc1ccc(CNCc2c(C)nn(C)c2C)cc1 ZINC000111363404 393884848 /nfs/dbraw/zinc/88/48/48/393884848.db2.gz PYKCTDUMQDSXMX-UHFFFAOYSA-N 0 1 285.391 2.892 20 30 CFEDMN CCN(CCC#N)Cc1nc2c(s1)CN(C(C)C)CC2 ZINC000346210418 393923415 /nfs/dbraw/zinc/92/34/15/393923415.db2.gz OJHYOQSRFYSTBK-UHFFFAOYSA-N 0 1 292.452 2.645 20 30 CFEDMN CN(CCc1ccc2c(c1)CCO2)CC(C)(C)C#N ZINC000258912543 393945704 /nfs/dbraw/zinc/94/57/04/393945704.db2.gz MMRXQUHUVMJXDW-UHFFFAOYSA-N 0 1 258.365 2.646 20 30 CFEDMN COC[C@H](N[C@@H]1CC[C@@H](C#N)C1)c1ccc(F)c(F)c1 ZINC000349344690 393968314 /nfs/dbraw/zinc/96/83/14/393968314.db2.gz TULIRKZLGWZBHL-HCKVZZMMSA-N 0 1 280.318 2.934 20 30 CFEDMN C[C@H](N[C@H]1c2ccccc2C[C@H]1O)c1ccc(C#N)cc1 ZINC000271845605 394023691 /nfs/dbraw/zinc/02/36/91/394023691.db2.gz HPJBUHHMUFZSAC-RZAIGCCYSA-N 0 1 278.355 2.867 20 30 CFEDMN CC1=C[C@H](C)CN([C@H](C)C(=O)Nc2cccc(C#N)c2)C1 ZINC000430283595 393979457 /nfs/dbraw/zinc/97/94/57/393979457.db2.gz ZUJACCHLKUHCRG-GXTWGEPZSA-N 0 1 283.375 2.783 20 30 CFEDMN CC[C@H]1CCN(CC(=O)N(CCC#N)c2ccccc2)C1 ZINC000125586284 394010302 /nfs/dbraw/zinc/01/03/02/394010302.db2.gz RFALXTRCHVXWRI-HNNXBMFYSA-N 0 1 285.391 2.665 20 30 CFEDMN C#C[C@@H](NC(=O)C(C)(F)F)c1ccc(Cl)cc1F ZINC000491178802 394046435 /nfs/dbraw/zinc/04/64/35/394046435.db2.gz BONFXFDHRXUOKH-SNVBAGLBSA-N 0 1 275.657 2.925 20 30 CFEDMN C#CCN(C(=O)c1cccc(C(F)(F)F)c1O)C1CC1 ZINC000491668637 394055865 /nfs/dbraw/zinc/05/58/65/394055865.db2.gz KAYWIWLIVVILEY-UHFFFAOYSA-N 0 1 283.249 2.649 20 30 CFEDMN C#C[C@@H](CC)NCc1nc(C(C)C)n2ccccc12 ZINC000491668582 394055915 /nfs/dbraw/zinc/05/59/15/394055915.db2.gz ZDENSWKZOLYECT-ZDUSSCGKSA-N 0 1 255.365 2.959 20 30 CFEDMN N#Cc1cccc(OCCCN2CCC[C@H]2c2cc[nH]n2)c1 ZINC000278761511 394062892 /nfs/dbraw/zinc/06/28/92/394062892.db2.gz XXNCJQZQNFDRTD-KRWDZBQOSA-N 0 1 296.374 2.887 20 30 CFEDMN C=CCN(CCc1ccccc1)[C@@H]1CCN(CC=C)C1=O ZINC000282016038 394110925 /nfs/dbraw/zinc/11/09/25/394110925.db2.gz OVTSTJXADMVYFZ-QGZVFWFLSA-N 0 1 284.403 2.504 20 30 CFEDMN COC(=O)[C@@]1(C)CCN(Cc2ccc(C#N)cc2Cl)C1 ZINC000439454170 394115580 /nfs/dbraw/zinc/11/55/80/394115580.db2.gz RHTDVWGPKHATMU-HNNXBMFYSA-N 0 1 292.766 2.597 20 30 CFEDMN Cc1ncccc1CN(C)Cc1cccc(C#N)c1 ZINC000130783492 394119630 /nfs/dbraw/zinc/11/96/30/394119630.db2.gz JEIGPGRFWZOSLW-UHFFFAOYSA-N 0 1 251.333 2.894 20 30 CFEDMN CC(C)[N@H+]1CCC[C@@H](NC(=O)/C=C/c2cccc(C#N)c2)C1 ZINC000493025436 394128521 /nfs/dbraw/zinc/12/85/21/394128521.db2.gz OXROXPTZFVRXND-KBOKABMXSA-N 0 1 297.402 2.560 20 30 CFEDMN C=CCN(CCC#N)C(=O)c1cn[nH]c1-c1ccccc1F ZINC000359446511 394134773 /nfs/dbraw/zinc/13/47/73/394134773.db2.gz ODMUFYZSCJWRBO-UHFFFAOYSA-N 0 1 298.321 2.758 20 30 CFEDMN C=CCN1C(=O)N=NC1SCc1ccc(C#N)c(C)c1 ZINC000447289051 394151388 /nfs/dbraw/zinc/15/13/88/394151388.db2.gz YQDPXTJZURPDHI-UHFFFAOYSA-N 0 1 286.360 2.642 20 30 CFEDMN CC#CCCN(C)[C@@H](c1cnn(C)c1)c1cccc(F)c1 ZINC000360444701 394151720 /nfs/dbraw/zinc/15/17/20/394151720.db2.gz HSYKDOYKIIQYLK-QGZVFWFLSA-N 0 1 285.366 2.994 20 30 CFEDMN CC#CCCN(C)[C@H](c1cnn(C)c1)c1cccc(F)c1 ZINC000360444700 394151771 /nfs/dbraw/zinc/15/17/71/394151771.db2.gz HSYKDOYKIIQYLK-KRWDZBQOSA-N 0 1 285.366 2.994 20 30 CFEDMN C=C(C)CN(CC)C(=O)CN[C@H](C)c1ccncc1CC ZINC000361133641 394166676 /nfs/dbraw/zinc/16/66/76/394166676.db2.gz YQALNAIXVZLYIQ-CQSZACIVSA-N 0 1 289.423 2.719 20 30 CFEDMN CC[C@]1(C)CN(CCCOc2cccc(C#N)c2)CCO1 ZINC000135737819 394226067 /nfs/dbraw/zinc/22/60/67/394226067.db2.gz SDCHNTWVHVDZID-QGZVFWFLSA-N 0 1 288.391 2.828 20 30 CFEDMN CC(C)(C)c1ncc(CNCc2ccc(C#N)s2)cn1 ZINC000421349060 394194039 /nfs/dbraw/zinc/19/40/39/394194039.db2.gz HLGYYQHGJRBCNJ-UHFFFAOYSA-N 0 1 286.404 2.997 20 30 CFEDMN Cn1cc(CNCc2ccc(C#N)s2)c(C(C)(C)C)n1 ZINC000421350512 394195140 /nfs/dbraw/zinc/19/51/40/394195140.db2.gz LAXVPTKDPBOTEX-UHFFFAOYSA-N 0 1 288.420 2.941 20 30 CFEDMN C#CCCN1CCC[C@@H]1c1c(C)nn(C)c1Cl ZINC000372256594 394309325 /nfs/dbraw/zinc/30/93/25/394309325.db2.gz UVYKRWXBDMVNQS-LLVKDONJSA-N 0 1 251.761 2.542 20 30 CFEDMN CC#CCCN(C)[C@H]1CCCN(c2ccccc2)C1=O ZINC000155724825 394322444 /nfs/dbraw/zinc/32/24/44/394322444.db2.gz AFQCZGFHMDYIEI-INIZCTEOSA-N 0 1 270.376 2.527 20 30 CFEDMN N#Cc1ccc(NC(=O)CCN2CC[C@@H](F)C2)cc1Cl ZINC000451195910 394367552 /nfs/dbraw/zinc/36/75/52/394367552.db2.gz MLTFFXBSONATPT-LLVKDONJSA-N 0 1 295.745 2.584 20 30 CFEDMN C=C(CC)CN1C[C@@H](c2ccccc2)[C@](F)(CO)C1 ZINC000451282612 394372984 /nfs/dbraw/zinc/37/29/84/394372984.db2.gz LVFDNCCKSSMUQY-JKSUJKDBSA-N 0 1 263.356 2.753 20 30 CFEDMN CC(C)CCN(CCC#N)CCC(=O)OC(C)C ZINC000173549003 394376263 /nfs/dbraw/zinc/37/62/63/394376263.db2.gz RDZGADYHDOIKFY-UHFFFAOYSA-N 0 1 254.374 2.590 20 30 CFEDMN Cc1ccc2nc(CNC(=O)C3(C#N)CCCCC3)[nH]c2c1 ZINC000174894147 394380044 /nfs/dbraw/zinc/38/00/44/394380044.db2.gz BOYHKAMJWYAPSC-UHFFFAOYSA-N 0 1 296.374 2.962 20 30 CFEDMN Cc1sc(NC(=O)CN(C)[C@@H](C)C2CC2)c(C#N)c1C ZINC000177267511 394383200 /nfs/dbraw/zinc/38/32/00/394383200.db2.gz UZKYWVDWLNKDPN-JTQLQIEISA-N 0 1 291.420 2.905 20 30 CFEDMN CCCCN(CC(N)=O)Cc1ccccc1C(C)(C)C#N ZINC000178516071 394389018 /nfs/dbraw/zinc/38/90/18/394389018.db2.gz CDAYUWFZRNJJAH-UHFFFAOYSA-N 0 1 287.407 2.575 20 30 CFEDMN CC(=O)N1CCCN(Cc2ccccc2C(C)(C)C#N)CC1 ZINC000178511497 394389094 /nfs/dbraw/zinc/38/90/94/394389094.db2.gz DFFVMCLNMNMQIN-UHFFFAOYSA-N 0 1 299.418 2.542 20 30 CFEDMN CC1(O)CCN(CC#Cc2cccc(Cl)c2)CC1 ZINC000178486655 394389106 /nfs/dbraw/zinc/38/91/06/394389106.db2.gz WGORRTPMVMCQPL-UHFFFAOYSA-N 0 1 263.768 2.538 20 30 CFEDMN C[C@@H]1C[C@H](C)N1[C@H]1CCCN(c2ccc(C#N)cc2)C1=O ZINC000548096926 394910407 /nfs/dbraw/zinc/91/04/07/394910407.db2.gz VNKCXQRTTSCMLW-ZENOOKHLSA-N 0 1 283.375 2.536 20 30 CFEDMN C=CCCCCN1CCN(Cc2nc(C)c(C)o2)CC1 ZINC000649287094 395467923 /nfs/dbraw/zinc/46/79/23/395467923.db2.gz BVILRKIIYDYVMN-UHFFFAOYSA-N 0 1 277.412 2.765 20 30 CFEDMN C=CCC1(C(=O)NCc2cc(C)[nH]n2)CCCCC1 ZINC000648329764 395542640 /nfs/dbraw/zinc/54/26/40/395542640.db2.gz RDNAUXZVRIJEHP-UHFFFAOYSA-N 0 1 261.369 2.861 20 30 CFEDMN CC(C)CCN(C)[C@@H](C)C(=O)Nc1ccccc1C#N ZINC000048349332 397589466 /nfs/dbraw/zinc/58/94/66/397589466.db2.gz XVCTUTOEEXZFSJ-ZDUSSCGKSA-N 0 1 273.380 2.863 20 30 CFEDMN C=CCOc1ccccc1C[N@H+](C)[C@H](CC)C(=O)[O-] ZINC000650808396 413185563 /nfs/dbraw/zinc/18/55/63/413185563.db2.gz YXVWKESNOXNCAH-CYBMUJFWSA-N 0 1 263.337 2.546 20 30 CFEDMN C=C(C)CN1CCC(Nc2cc(C(C)=O)ccn2)CC1 ZINC000663568501 413271222 /nfs/dbraw/zinc/27/12/22/413271222.db2.gz VQSGVLZANBITLV-UHFFFAOYSA-N 0 1 273.380 2.737 20 30 CFEDMN CC[C@H](CO)N(Cc1ccc(C#N)o1)Cc1ccccc1 ZINC000348183866 154352640 /nfs/dbraw/zinc/35/26/40/154352640.db2.gz DWPBWYOUNZSQQD-OAHLLOKOSA-N 0 1 284.359 2.924 20 30 CFEDMN CC[C@H]1CO[C@H](C)CN1Cc1ccc(C#N)c(C)c1 ZINC000362960540 156128552 /nfs/dbraw/zinc/12/85/52/156128552.db2.gz OVYJVYCAAYMLMX-CJNGLKHVSA-N 0 1 258.365 2.866 20 30 CFEDMN N#Cc1ccc(CN2CCC([C@H]3CCOC3)CC2)s1 ZINC000363847230 156198733 /nfs/dbraw/zinc/19/87/33/156198733.db2.gz MORVTQBBFASKEF-ZDUSSCGKSA-N 0 1 276.405 2.868 20 30 CFEDMN N#Cc1ccccc1Cn1cccc1CN1CCCOCC1 ZINC000373687460 157022171 /nfs/dbraw/zinc/02/21/71/157022171.db2.gz FQVVOPKHUAGPPE-UHFFFAOYSA-N 0 1 295.386 2.630 20 30 CFEDMN N#Cc1cc(CN2CCC([C@H]3CCOC3)CC2)ccc1F ZINC000376339453 157344783 /nfs/dbraw/zinc/34/47/83/157344783.db2.gz HMNOGIANISRUKC-HNNXBMFYSA-N 0 1 288.366 2.946 20 30 CFEDMN C=CCN1C(=O)N=NC1SCCCC1CCC1 ZINC000657252309 413369502 /nfs/dbraw/zinc/36/95/02/413369502.db2.gz XVUZGKAZYJNRGP-UHFFFAOYSA-N 0 1 253.371 2.842 20 30 CFEDMN C=CCCNC(=O)NC[C@@H](c1ccc(C)o1)N1CCCC1 ZINC000660531176 413375032 /nfs/dbraw/zinc/37/50/32/413375032.db2.gz PSLFCAMQZCSEPS-AWEZNQCLSA-N 0 1 291.395 2.600 20 30 CFEDMN C=CCCn1cc(CNCCC2=CCCCC2)nn1 ZINC000657283972 413395798 /nfs/dbraw/zinc/39/57/98/413395798.db2.gz JRBXHRPGIWGEGQ-UHFFFAOYSA-N 0 1 260.385 2.834 20 30 CFEDMN C=CCCn1cc(CN(C)[C@H]2CCCC[C@H]2C)nn1 ZINC000653632343 413414320 /nfs/dbraw/zinc/41/43/20/413414320.db2.gz QDOLVHRXDIVFBC-HIFRSBDPSA-N 0 1 262.401 2.865 20 30 CFEDMN C=CCCn1cc(CN2CCC[C@@]2(CCC)COC)nn1 ZINC000653647779 413425910 /nfs/dbraw/zinc/42/59/10/413425910.db2.gz UOQMHQGXANDNRZ-INIZCTEOSA-N 0 1 292.427 2.635 20 30 CFEDMN C[C@@H](N[C@H](CO)CC(F)(F)F)c1cccc(C#N)c1 ZINC000344302018 162002474 /nfs/dbraw/zinc/00/24/74/162002474.db2.gz VLFRSAIQWDTZHT-SKDRFNHKSA-N 0 1 272.270 2.522 20 30 CFEDMN CCN1C[C@H](C)N(c2ccc(C#N)cc2F)C[C@H]1C ZINC000345173409 162193867 /nfs/dbraw/zinc/19/38/67/162193867.db2.gz MYDVILUMTDIHNX-NEPJUHHUSA-N 0 1 261.344 2.616 20 30 CFEDMN CCN1C[C@@H](C)N(C(=O)Nc2ccc(C#N)cc2)C[C@@H]1C ZINC000345885766 162270145 /nfs/dbraw/zinc/27/01/45/162270145.db2.gz QVGAWXXARUYLDF-QWHCGFSZSA-N 0 1 286.379 2.505 20 30 CFEDMN CN(Cc1cccc(C#N)c1F)C[C@@H]1CCCC[C@@H]1O ZINC000351244325 163122777 /nfs/dbraw/zinc/12/27/77/163122777.db2.gz AESQRIJKWQEGDU-ZFWWWQNUSA-N 0 1 276.355 2.680 20 30 CFEDMN C[C@H]1CC[C@@H](N(CCO)Cc2ccc(F)cc2C#N)C1 ZINC000351633698 163161303 /nfs/dbraw/zinc/16/13/03/163161303.db2.gz ZXXTZXXCDMXKDU-BLLLJJGKSA-N 0 1 276.355 2.680 20 30 CFEDMN C[C@@H]1CC[C@H](N(CCO)Cc2ccc(F)cc2C#N)C1 ZINC000351633701 163163844 /nfs/dbraw/zinc/16/38/44/163163844.db2.gz ZXXTZXXCDMXKDU-WBMJQRKESA-N 0 1 276.355 2.680 20 30 CFEDMN C=CCCn1cc(CN2CC(C)(C)[C@H]3CCC[C@@H]32)nn1 ZINC000653705782 413456840 /nfs/dbraw/zinc/45/68/40/413456840.db2.gz ISONMCHTDWMWAO-GJZGRUSLSA-N 0 1 274.412 2.865 20 30 CFEDMN Cc1cc(CNCc2cnn3ccccc23)ccc1C#N ZINC000353032611 163293407 /nfs/dbraw/zinc/29/34/07/163293407.db2.gz GTNJEHYDHACODE-UHFFFAOYSA-N 0 1 276.343 2.804 20 30 CFEDMN COc1ccc(CN[C@H](C)c2ccc(C#N)cc2)cn1 ZINC000020186159 171050090 /nfs/dbraw/zinc/05/00/90/171050090.db2.gz ROKPNJFPVLWTJY-GFCCVEGCSA-N 0 1 267.332 2.813 20 30 CFEDMN N#Cc1ccccc1CN1CCC[C@@H]1[C@@H]1CCCO1 ZINC000284968514 196167137 /nfs/dbraw/zinc/16/71/37/196167137.db2.gz XNCSJSKBVNLUPH-CVEARBPZSA-N 0 1 256.349 2.702 20 30 CFEDMN C=CCN1CC[C@H](N[C@H](CC)c2ccccc2F)C1=O ZINC000653791052 413502286 /nfs/dbraw/zinc/50/22/86/413502286.db2.gz BLEIZSQGRAOYGR-CABCVRRESA-N 0 1 276.355 2.653 20 30 CFEDMN C=CCCn1cc(CN[C@H]2C[C@@H]2Cc2ccccc2)nn1 ZINC000657375532 413519349 /nfs/dbraw/zinc/51/93/49/413519349.db2.gz HURUPRAIVWBENF-RDJZCZTQSA-N 0 1 282.391 2.575 20 30 CFEDMN C=CCCOCCNCc1cc(F)c(OC)cc1OC ZINC000651745329 413604705 /nfs/dbraw/zinc/60/47/05/413604705.db2.gz IFVZEBXOYOBDKY-UHFFFAOYSA-N 0 1 283.343 2.525 20 30 CFEDMN C=CC[C@@H]1CC[C@H](N[C@@H]2CS(=O)(=O)c3ccccc32)C1 ZINC000651738789 413603898 /nfs/dbraw/zinc/60/38/98/413603898.db2.gz YNYVGNUVWBWLSO-VNHYZAJKSA-N 0 1 291.416 2.849 20 30 CFEDMN C=CCCn1cc(CNCCc2ccc(C=C)cc2)nn1 ZINC000657470568 413651529 /nfs/dbraw/zinc/65/15/29/413651529.db2.gz RJNCMYLDMVEOAK-UHFFFAOYSA-N 0 1 282.391 2.830 20 30 CFEDMN C=CC[C@H]1CC[C@H](NCc2nn(C)cc2Cl)C1 ZINC000651822168 413665312 /nfs/dbraw/zinc/66/53/12/413665312.db2.gz NAJIKMWFGODSPP-QWRGUYRKSA-N 0 1 253.777 2.908 20 30 CFEDMN C=CCC[C@@H](N[C@@H]1CC(=O)N(C2CC2)C1)c1ccco1 ZINC000285494426 196303807 /nfs/dbraw/zinc/30/38/07/196303807.db2.gz AMYQQNRXASLSNI-TZMCWYRMSA-N 0 1 274.364 2.640 20 30 CFEDMN C=C(C)CCNC(=O)NC[C@H]1CCN1Cc1ccccc1 ZINC000661264235 413864130 /nfs/dbraw/zinc/86/41/30/413864130.db2.gz QJPJDDIPKLLRCR-MRXNPFEDSA-N 0 1 287.407 2.526 20 30 CFEDMN C=CCN(Cc1cccc(OCC)n1)[C@@H](C)COC ZINC000661240695 413842406 /nfs/dbraw/zinc/84/24/06/413842406.db2.gz QDNMQDNKAGBEIR-ZDUSSCGKSA-N 0 1 264.369 2.503 20 30 CFEDMN C=CCN(Cc1cnn(C(C)(C)C)c1)[C@H](C)COC ZINC000661240749 413842453 /nfs/dbraw/zinc/84/24/53/413842453.db2.gz TVSOZJGLBIMHDZ-CYBMUJFWSA-N 0 1 265.401 2.661 20 30 CFEDMN C=CCN(Cc1ccc(OCC)cn1)[C@H](C)COC ZINC000661244726 413847346 /nfs/dbraw/zinc/84/73/46/413847346.db2.gz XSOUZZOUHIHQFT-CYBMUJFWSA-N 0 1 264.369 2.503 20 30 CFEDMN C=CC[C@@H]1CCCN(CC(=O)NCc2cccs2)C1 ZINC000661377517 413937618 /nfs/dbraw/zinc/93/76/18/413937618.db2.gz OREZKANZTHNRBO-CYBMUJFWSA-N 0 1 278.421 2.652 20 30 CFEDMN C=CCC1(CNC(=O)NCc2cc(C)[nH]n2)CCCC1 ZINC000652372933 413910281 /nfs/dbraw/zinc/91/02/81/413910281.db2.gz DJKQSKBFYGNCMF-UHFFFAOYSA-N 0 1 276.384 2.654 20 30 CFEDMN C=CCOc1ccc(CNCc2c(C)cnn2C)cc1 ZINC000285631010 196349547 /nfs/dbraw/zinc/34/95/47/196349547.db2.gz RDDJWRSHTCOEAA-UHFFFAOYSA-N 0 1 271.364 2.583 20 30 CFEDMN COc1ccc(CN[C@H](C)c2cccc(C#N)c2)cn1 ZINC000037236112 173054182 /nfs/dbraw/zinc/05/41/82/173054182.db2.gz QFZKJRABAPNIBU-GFCCVEGCSA-N 0 1 267.332 2.813 20 30 CFEDMN C=CC(C)(C)C(=O)N1CCN(C(C)(C)CC)CC1 ZINC000655269899 414163589 /nfs/dbraw/zinc/16/35/89/414163589.db2.gz ZPXZARGGXVWJCI-UHFFFAOYSA-N 0 1 252.402 2.531 20 30 CFEDMN C=CCCCN1C[C@@H](CC(F)(F)F)O[C@@H](C)C1 ZINC000662242807 414472742 /nfs/dbraw/zinc/47/27/42/414472742.db2.gz PLUYAXUUWVOGKH-WDEREUQCSA-N 0 1 251.292 2.994 20 30 CFEDMN C=CCCCN1C[C@H](C)O[C@@H](CC(F)(F)F)C1 ZINC000662242806 414471109 /nfs/dbraw/zinc/47/11/09/414471109.db2.gz PLUYAXUUWVOGKH-QWRGUYRKSA-N 0 1 251.292 2.994 20 30 CFEDMN C=CC[C@H](CO)NCc1c(F)cc(C)cc1Cl ZINC000656541853 414602268 /nfs/dbraw/zinc/60/22/68/414602268.db2.gz RKOOWQQRFBWECK-SNVBAGLBSA-N 0 1 257.736 2.814 20 30 CFEDMN C=CC[C@H]1CCCN(C(=O)[C@@](C)(N)c2ccccc2)C1 ZINC000662858548 414624116 /nfs/dbraw/zinc/62/41/16/414624116.db2.gz YGKYKVFYMPLSGK-YOEHRIQHSA-N 0 1 272.392 2.675 20 30 CFEDMN CCCCN(C)[C@@H](C)C(=O)Nc1oc(C)c(C)c1C#N ZINC000071832576 176273247 /nfs/dbraw/zinc/27/32/47/176273247.db2.gz NBEASFWKXMZWFK-NSHDSACASA-N 0 1 277.368 2.827 20 30 CFEDMN C[C@H]1C[C@]1(C#N)C(=O)Nc1cccc(Cl)c1O ZINC000334643095 225233998 /nfs/dbraw/zinc/23/39/98/225233998.db2.gz CSZKOXRWQJATDG-JVXZTZIISA-N 0 1 250.685 2.534 20 30 CFEDMN N#Cc1ccc(CN2CCC(OC3CCC3)CC2)o1 ZINC000418094616 228031664 /nfs/dbraw/zinc/03/16/64/228031664.db2.gz SCAJIENUEPASAH-UHFFFAOYSA-N 0 1 260.337 2.685 20 30 CFEDMN O=C(Cc1ccc2c(c1)CCO2)N[C@H]1CCCc2cn[nH]c21 ZINC000330097256 228038628 /nfs/dbraw/zinc/03/86/28/228038628.db2.gz AOGHJJYPFKGVTP-AWEZNQCLSA-N 0 1 297.358 2.921 20 30 CFEDMN NC(=O)C1CCC(NC(=O)[C@@H]2CCCN2C2CC2)CC1 ZINC000330308874 228122704 /nfs/dbraw/zinc/12/27/04/228122704.db2.gz MOBWNQWAWUJTFR-XIVSLSHWSA-N 0 1 279.384 2.664 20 30 CFEDMN Cc1cscc1NS(=O)(=O)c1ccccc1CC#N ZINC000336076383 228184984 /nfs/dbraw/zinc/18/49/84/228184984.db2.gz ZYCVMMJLHBAUNV-UHFFFAOYSA-N 0 1 292.385 2.923 20 30 CFEDMN N#C[C@@H]1CC[C@H](N[C@@H](c2nc[nH]n2)C2CCCCC2)C1 ZINC000333557700 228204208 /nfs/dbraw/zinc/20/42/08/228204208.db2.gz KLSZLQSTFIVXMG-KWCYVHTRSA-N 0 1 273.384 2.708 20 30 CFEDMN Cc1cnc(F)c(-c2nccc3[nH]cc(C#N)c32)c1 ZINC001243163872 782026753 /nfs/dbraw/zinc/02/67/53/782026753.db2.gz SERCACUPRUKBCA-UHFFFAOYSA-N 0 1 252.252 2.944 20 30 CFEDMN C#CCN1CCC(C(=O)N2CCC=Cc3ccccc32)CC1 ZINC000188253630 260075827 /nfs/dbraw/zinc/07/58/27/260075827.db2.gz QAOUZXFKMAQZEI-UHFFFAOYSA-N 0 1 294.398 2.782 20 30 CFEDMN C=CCC(C)(C)CNC(=O)N[C@@H](C)c1n[nH]c(C(C)C)n1 ZINC000297545358 260128635 /nfs/dbraw/zinc/12/86/35/260128635.db2.gz ZDSLANYCFDTGEN-NSHDSACASA-N 0 1 293.415 2.891 20 30 CFEDMN CCOC[C@@H]1CCCCN1Cc1ccccc1C#N ZINC000313465869 260296379 /nfs/dbraw/zinc/29/63/79/260296379.db2.gz DURRCYHZJJDKIK-INIZCTEOSA-N 0 1 258.365 2.949 20 30 CFEDMN C=CCN(CCc1ccccc1)Cc1c(C)nnn1CC ZINC000449022167 261104049 /nfs/dbraw/zinc/10/40/49/261104049.db2.gz WWKIMUHWNZCXRB-UHFFFAOYSA-N 0 1 284.407 2.837 20 30 CFEDMN CCN(CCC#N)C(=O)[C@@H]1CCCCN1Cc1ccccc1 ZINC000161149988 261238596 /nfs/dbraw/zinc/23/85/96/261238596.db2.gz RYVCIGBEAUYGPY-KRWDZBQOSA-N 0 1 299.418 2.803 20 30 CFEDMN C#CCN(Cc1cc(C(N)=O)cs1)C1CCCCC1 ZINC000490894083 261238712 /nfs/dbraw/zinc/23/87/12/261238712.db2.gz ZOLZGHHRYBBBJR-UHFFFAOYSA-N 0 1 276.405 2.615 20 30 CFEDMN C=C[C@@](C)(CC)C(=O)N1CCN(CCOC)[C@@H](CCC)C1 ZINC000249125430 261248589 /nfs/dbraw/zinc/24/85/89/261248589.db2.gz UROHTKYTIYNXGO-RDJZCZTQSA-N 0 1 296.455 2.548 20 30 CFEDMN C=CCNC(=O)CNC1c2ccccc2-c2ccccc21 ZINC000183511630 261492397 /nfs/dbraw/zinc/49/23/97/261492397.db2.gz IEWRMHNOIBKPKG-UHFFFAOYSA-N 0 1 278.355 2.648 20 30 CFEDMN N#C[C@H](c1ccccc1)N1CCN([C@@H]2C=CCCC2)CC1 ZINC000176151445 261641209 /nfs/dbraw/zinc/64/12/09/261641209.db2.gz CXDDTJLTKOXPOR-QZTJIDSGSA-N 0 1 281.403 2.978 20 30 CFEDMN N#C[C@H]1CC[C@@H](NCc2ccc(Br)o2)C1 ZINC000308820039 261688536 /nfs/dbraw/zinc/68/85/36/261688536.db2.gz GDNBWVDYWUBNBT-DTWKUNHWSA-N 0 1 269.142 2.824 20 30 CFEDMN C[C@@H](C[S@](C)=O)[N@@H+](C)Cc1ccccc1C(C)(C)C#N ZINC000184573069 262023785 /nfs/dbraw/zinc/02/37/85/262023785.db2.gz BXMBMBLIBZRWBX-RBZFPXEDSA-N 0 1 292.448 2.687 20 30 CFEDMN C[C@@H](C[S@](C)=O)N(C)Cc1ccccc1C(C)(C)C#N ZINC000184573069 262023786 /nfs/dbraw/zinc/02/37/86/262023786.db2.gz BXMBMBLIBZRWBX-RBZFPXEDSA-N 0 1 292.448 2.687 20 30 CFEDMN C[C@H](C[S@](C)=O)[N@@H+](C)Cc1ccccc1C(C)(C)C#N ZINC000184573085 262023789 /nfs/dbraw/zinc/02/37/89/262023789.db2.gz BXMBMBLIBZRWBX-XCLFUZPHSA-N 0 1 292.448 2.687 20 30 CFEDMN C[C@H](C[S@](C)=O)N(C)Cc1ccccc1C(C)(C)C#N ZINC000184573085 262023791 /nfs/dbraw/zinc/02/37/91/262023791.db2.gz BXMBMBLIBZRWBX-XCLFUZPHSA-N 0 1 292.448 2.687 20 30 CFEDMN CC[C@@H](CC#N)NCc1cc(Cl)cc(OC)c1O ZINC000185206634 262046046 /nfs/dbraw/zinc/04/60/46/262046046.db2.gz MVDGNXSCURERFQ-NSHDSACASA-N 0 1 268.744 2.836 20 30 CFEDMN C[C@@H]1CCC[C@@H](C)N1CC(=O)NC1(C#N)CCCCC1 ZINC000108864504 262065082 /nfs/dbraw/zinc/06/50/82/262065082.db2.gz CWAHSXKDBDDTBW-ZIAGYGMSSA-N 0 1 277.412 2.592 20 30 CFEDMN C=CCN(CC=C)C(=O)[C@@H]1CCc2[nH]c(C(C)C)nc2C1 ZINC000364382382 262222876 /nfs/dbraw/zinc/22/28/76/262222876.db2.gz GZIZDNVTQWNFCY-CYBMUJFWSA-N 0 1 287.407 2.839 20 30 CFEDMN N#CCC[C@H](NC(=O)CCc1cnc[nH]1)c1ccccc1 ZINC000193645113 262225311 /nfs/dbraw/zinc/22/53/11/262225311.db2.gz CZWJDNLGBQGFSJ-HNNXBMFYSA-N 0 1 282.347 2.504 20 30 CFEDMN C=CC1CCN([C@@H](C)C(=O)Nc2ccccc2)CC1 ZINC000111257335 262258578 /nfs/dbraw/zinc/25/85/78/262258578.db2.gz BMUNYCLVYISCFV-ZDUSSCGKSA-N 0 1 258.365 2.912 20 30 CFEDMN C=CC1CCN(CC(=O)N2CCc3sccc3C2)CC1 ZINC000111259503 262258766 /nfs/dbraw/zinc/25/87/66/262258766.db2.gz CFOPKHCGKKVBRL-UHFFFAOYSA-N 0 1 290.432 2.531 20 30 CFEDMN C#CCN1CCC(C(=O)N2CCC(CC)(CC)CC2)CC1 ZINC000188580451 262319631 /nfs/dbraw/zinc/31/96/31/262319631.db2.gz ORXRUPRJINACJE-UHFFFAOYSA-N 0 1 290.451 2.760 20 30 CFEDMN C=CC1CCN(C(=O)[C@@H](C)N2CCc3ccccc3C2)CC1 ZINC000111632057 262354050 /nfs/dbraw/zinc/35/40/50/262354050.db2.gz FICZOXWKTIHLII-OAHLLOKOSA-N 0 1 298.430 2.858 20 30 CFEDMN C(#Cc1ccccc1)CN1CCC[C@@H](c2ccncn2)C1 ZINC000365269444 262356860 /nfs/dbraw/zinc/35/68/60/262356860.db2.gz QTXMDXCXMRRLFM-QGZVFWFLSA-N 0 1 277.371 2.708 20 30 CFEDMN CC1(CN2CCC[C@H]2[C@@H](C#N)c2ccccc2)COC1 ZINC000336822177 262397769 /nfs/dbraw/zinc/39/77/69/262397769.db2.gz KPYMWXPVTHYGQT-HOTGVXAUSA-N 0 1 270.376 2.795 20 30 CFEDMN N#CC1(CCN2CCC[C@](F)(CO)C2)CCCCC1 ZINC000411730478 262705285 /nfs/dbraw/zinc/70/52/85/262705285.db2.gz OHVHACISKBUGAO-OAHLLOKOSA-N 0 1 268.376 2.647 20 30 CFEDMN CCN(CC)[C@H](C(=O)N(C)C[C@@H](C)C#N)c1ccccc1 ZINC000264257358 262885894 /nfs/dbraw/zinc/88/58/94/262885894.db2.gz SEGCULMVJPRXSN-HOCLYGCPSA-N 0 1 287.407 2.688 20 30 CFEDMN COc1cc(C#N)ccc1OCCN1CCC(C)(C#N)CC1 ZINC000272519075 263005780 /nfs/dbraw/zinc/00/57/80/263005780.db2.gz HBZBCIPRDKWYID-UHFFFAOYSA-N 0 1 299.374 2.571 20 30 CFEDMN COc1cccc(CNCCCC#N)c1OC(F)F ZINC000273003681 263010872 /nfs/dbraw/zinc/01/08/72/263010872.db2.gz AMNINMBVKFRMJW-UHFFFAOYSA-N 0 1 270.279 2.690 20 30 CFEDMN C=C(C)[C@H]1OCCC[C@H]1c1nc([C@@H](N)CC(C)C)no1 ZINC000414618479 263012183 /nfs/dbraw/zinc/01/21/83/263012183.db2.gz JQSCDOXWOMTTDI-FRRDWIJNSA-N 0 1 279.384 2.954 20 30 CFEDMN Cc1cccc(C(=O)N2CCCN([C@H](C)CCC#N)CC2)c1 ZINC000276286802 263035822 /nfs/dbraw/zinc/03/58/22/263035822.db2.gz GTVOSDCBUBDUKG-MRXNPFEDSA-N 0 1 299.418 2.835 20 30 CFEDMN C[C@@H](CCC#N)N(C)Cc1cnn(-c2ccccc2)c1 ZINC000276322515 263036200 /nfs/dbraw/zinc/03/62/00/263036200.db2.gz PAIWVHAGKXBTNY-AWEZNQCLSA-N 0 1 268.364 2.996 20 30 CFEDMN C=CCCN(C)CC(=O)Nc1ccccc1SCC#N ZINC000276341184 263036396 /nfs/dbraw/zinc/03/63/96/263036396.db2.gz CJDOYTMICNPGQV-UHFFFAOYSA-N 0 1 289.404 2.749 20 30 CFEDMN C[C@@H]1CN(Cc2ccc(OCC#N)cc2)C[C@H](C2CC2)O1 ZINC000279267386 263054289 /nfs/dbraw/zinc/05/42/89/263054289.db2.gz IWBHLTAJCRSIED-CXAGYDPISA-N 0 1 286.375 2.588 20 30 CFEDMN C#CC(C)(C)N(C)Cc1cc(F)cc(C(C)=O)c1O ZINC000279334210 263054811 /nfs/dbraw/zinc/05/48/11/263054811.db2.gz UGNIHFDCPZLYMT-UHFFFAOYSA-N 0 1 263.312 2.578 20 30 CFEDMN N#CCOc1ccc(C[N@H+]2CCC[C@@H]2[C@H]2CCCO2)cc1 ZINC000284723252 263087802 /nfs/dbraw/zinc/08/78/02/263087802.db2.gz JTYNXXWYBFKUFG-IAGOWNOFSA-N 0 1 286.375 2.732 20 30 CFEDMN N#C[C@H](NC(=O)c1ccc2cncn2c1)C1CCCCC1 ZINC000285451174 263092989 /nfs/dbraw/zinc/09/29/89/263092989.db2.gz ZJIOYSSZGWOZBZ-HNNXBMFYSA-N 0 1 282.347 2.537 20 30 CFEDMN Cc1ccc(C(=O)/C=C/c2cn(C(C)C)nn2)c(O)c1 ZINC000287180463 263101256 /nfs/dbraw/zinc/10/12/56/263101256.db2.gz KDXOFUHDSVSLEV-FNORWQNLSA-N 0 1 271.320 2.769 20 30 CFEDMN CC(C)(C#N)CCN1CC[C@@H](n2cc(Cl)cn2)C1 ZINC000289853253 263112399 /nfs/dbraw/zinc/11/23/99/263112399.db2.gz KTIKPWAIDBQPSZ-GFCCVEGCSA-N 0 1 266.776 2.723 20 30 CFEDMN Cc1csc(C(C#N)C(=O)c2ccnc3ccncc32)n1 ZINC000340363650 263119086 /nfs/dbraw/zinc/11/90/86/263119086.db2.gz KCDKRZRKFGYDQI-LLVKDONJSA-N 0 1 294.339 2.885 20 30 CFEDMN Cc1csc([C@H](C#N)C(=O)c2ccnc3ccncc32)n1 ZINC000340363650 263119087 /nfs/dbraw/zinc/11/90/87/263119087.db2.gz KCDKRZRKFGYDQI-LLVKDONJSA-N 0 1 294.339 2.885 20 30 CFEDMN N#C[C@H]1CC[C@H](N2CCN(Cc3cccc(F)c3)CC2)C1 ZINC000292846822 263135765 /nfs/dbraw/zinc/13/57/65/263135765.db2.gz QAYGVSFBRLRDDN-YOEHRIQHSA-N 0 1 287.382 2.636 20 30 CFEDMN COc1ccccc1CN(CCOCCC#N)C1CC1 ZINC000293495435 263141957 /nfs/dbraw/zinc/14/19/57/263141957.db2.gz NIHBDKAJADIQTJ-UHFFFAOYSA-N 0 1 274.364 2.590 20 30 CFEDMN C=CCN(CCC#N)C(=O)[C@@H](c1ccccc1)N(C)CC ZINC000293666455 263146213 /nfs/dbraw/zinc/14/62/13/263146213.db2.gz GCJWUHNUTHNUQT-MRXNPFEDSA-N 0 1 285.391 2.608 20 30 CFEDMN N#CCCOCCN1CC[C@@H](Oc2ccccc2Cl)C1 ZINC000293704838 263147479 /nfs/dbraw/zinc/14/74/79/263147479.db2.gz DEKHNBOQMOXUKG-CYBMUJFWSA-N 0 1 294.782 2.723 20 30 CFEDMN Cc1csc(C2(NCCOCCC#N)CCCC2)n1 ZINC000293796082 263149736 /nfs/dbraw/zinc/14/97/36/263149736.db2.gz MYURAMYNBHNOBK-UHFFFAOYSA-N 0 1 279.409 2.741 20 30 CFEDMN CN(Cc1cn(C)nc1C(F)(F)F)[C@H]1CC[C@@H](C#N)C1 ZINC000293886980 263151696 /nfs/dbraw/zinc/15/16/96/263151696.db2.gz UQHGODAZVFBILT-KOLCDFICSA-N 0 1 286.301 2.563 20 30 CFEDMN C[C@@](C#N)(NC(=O)CN1CCC[C@H]1c1ccccc1)C1CC1 ZINC000294152244 263156704 /nfs/dbraw/zinc/15/67/04/263156704.db2.gz ACYFMACRBOZWBU-WMZOPIPTSA-N 0 1 297.402 2.632 20 30 CFEDMN CN(CCCC#N)C[C@@H](O)c1ccccc1Br ZINC000295217552 263174585 /nfs/dbraw/zinc/17/45/85/263174585.db2.gz AQPMRMLPAITJSK-CYBMUJFWSA-N 0 1 297.196 2.718 20 30 CFEDMN CC1(C#N)CN(Cc2cc(Cl)c(F)cc2O)C1 ZINC000297313136 263202932 /nfs/dbraw/zinc/20/29/32/263202932.db2.gz BYRFHPIWGWRWFC-UHFFFAOYSA-N 0 1 254.692 2.530 20 30 CFEDMN N#CCC[C@@H](Nc1ncnc2[nH]cnc21)c1ccccc1 ZINC000164315452 263279612 /nfs/dbraw/zinc/27/96/12/263279612.db2.gz VBSUAIHCAIIWAK-GFCCVEGCSA-N 0 1 278.319 2.810 20 30 CFEDMN C=CCNC(=O)[C@H](C)N[C@H](C)c1cccc(OC(C)C)c1 ZINC000120253606 263284836 /nfs/dbraw/zinc/28/48/36/263284836.db2.gz MUWZXBZFMBPXLL-KGLIPLIRSA-N 0 1 290.407 2.815 20 30 CFEDMN C=CCCC[N@H+](C)[C@H](C)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000121150007 263289725 /nfs/dbraw/zinc/28/97/25/263289725.db2.gz IFJMCHKCQONHDX-GFCCVEGCSA-N 0 1 291.351 2.820 20 30 CFEDMN C=CCCCN(C)[C@H](C)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000121150007 263289728 /nfs/dbraw/zinc/28/97/28/263289728.db2.gz IFJMCHKCQONHDX-GFCCVEGCSA-N 0 1 291.351 2.820 20 30 CFEDMN CC[C@H]1CCCN1CC(=O)N(CCC#N)c1ccccc1 ZINC000340689113 263292924 /nfs/dbraw/zinc/29/29/24/263292924.db2.gz PZBNIJDMNOUBAV-HNNXBMFYSA-N 0 1 285.391 2.808 20 30 CFEDMN C=CCN(C)[C@@H](C)C(=O)N(CC)Cc1ccccc1 ZINC000121574622 263297138 /nfs/dbraw/zinc/29/71/38/263297138.db2.gz RSQRVSNWVXGWKC-AWEZNQCLSA-N 0 1 260.381 2.541 20 30 CFEDMN C=C1CCN(CCOc2cccc(C(=O)OC)c2)CC1 ZINC000341992001 263382319 /nfs/dbraw/zinc/38/23/19/263382319.db2.gz HSMBOVOSVDTTAN-UHFFFAOYSA-N 0 1 275.348 2.504 20 30 CFEDMN C=CCCN(C)C(=O)c1cc(-c2cccs2)[nH]n1 ZINC000342042692 263383082 /nfs/dbraw/zinc/38/30/82/263383082.db2.gz SQAWEIWJBZNACH-UHFFFAOYSA-N 0 1 261.350 2.786 20 30 CFEDMN O=C(N[C@@H]1CC=CCC1)c1cc(O)cc([N+](=O)[O-])c1 ZINC000330785264 264053353 /nfs/dbraw/zinc/05/33/53/264053353.db2.gz TWKBJSJQGFRFPY-SNVBAGLBSA-N 0 1 262.265 2.714 20 30 CFEDMN CCC1(CNC(=O)N[C@H](C)c2nnc[nH]2)CCCCC1 ZINC000330890659 264076407 /nfs/dbraw/zinc/07/64/07/264076407.db2.gz WMVCWNDWSXKWAC-LLVKDONJSA-N 0 1 279.388 2.730 20 30 CFEDMN CCc1noc(C)c1C(=O)N[C@@H]1C[N@H+](C(C)C)C[C@@H]1C ZINC000330932056 264096309 /nfs/dbraw/zinc/09/63/09/264096309.db2.gz WSSFSBOXHQYTPS-GXFFZTMASA-N 0 1 279.384 2.579 20 30 CFEDMN CCCCNC([O-])=[NH+][C@@H]1CCc2cnn(C(C)C)c2C1 ZINC000331072452 264113706 /nfs/dbraw/zinc/11/37/06/264113706.db2.gz JKCJTQQNJYVTRN-CYBMUJFWSA-N 0 1 278.400 2.625 20 30 CFEDMN CCCC[NH+]=C([O-])N[C@@H]1CCc2cnn(C(C)C)c2C1 ZINC000331072452 264113708 /nfs/dbraw/zinc/11/37/08/264113708.db2.gz JKCJTQQNJYVTRN-CYBMUJFWSA-N 0 1 278.400 2.625 20 30 CFEDMN COC(=O)c1ccc(Cl)c(CN[C@@H]2CC[C@H](C#N)C2)c1 ZINC000425356905 264130910 /nfs/dbraw/zinc/13/09/10/264130910.db2.gz RAWQZIQINAVBBK-GXFFZTMASA-N 0 1 292.766 2.908 20 30 CFEDMN Cc1nc2cccc(C(=O)N[C@@](C)(CO)C(C)C)c2[nH]1 ZINC000331182201 264154867 /nfs/dbraw/zinc/15/48/67/264154867.db2.gz HXBMMKRPRKWGTI-HNNXBMFYSA-N 0 1 275.352 2.583 20 30 CFEDMN Cc1cc(C)c([NH+]=C([O-])N[C@@H](C)Cn2cccn2)c(C)n1 ZINC000331341553 264194959 /nfs/dbraw/zinc/19/49/59/264194959.db2.gz SPOGPKDWAWYWBG-LBPRGKRZSA-N 0 1 287.367 2.618 20 30 CFEDMN C=CCN(CCN1C[C@H]2CC[C@@H](C1)O2)Cc1cccs1 ZINC000343257667 264224610 /nfs/dbraw/zinc/22/46/10/264224610.db2.gz GAQSWLXTOZAIRK-GASCZTMLSA-N 0 1 292.448 2.599 20 30 CFEDMN C=CC1(CC(=O)N[C@@H]2CCc3nc[nH]c3C2)CCCCC1 ZINC000934988302 649862405 /nfs/dbraw/zinc/86/24/05/649862405.db2.gz BMDOCVNLNPAIBL-CYBMUJFWSA-N 0 1 287.407 2.910 20 30 CFEDMN C=CCCCN(C)[C@@H](C)C(=O)Nc1ccccc1C#N ZINC000076737258 264342730 /nfs/dbraw/zinc/34/27/30/264342730.db2.gz KODMXLGLLFAEQL-ZDUSSCGKSA-N 0 1 271.364 2.783 20 30 CFEDMN C=CCCCN(C)CC(=O)Nc1ccc(Cl)cn1 ZINC000076734342 264343092 /nfs/dbraw/zinc/34/30/92/264343092.db2.gz VORAZSGICMSHOW-UHFFFAOYSA-N 0 1 267.760 2.572 20 30 CFEDMN C=CCNC(=O)CN(C)[C@H](C)Cc1ccc(Cl)cc1 ZINC000076733278 264343891 /nfs/dbraw/zinc/34/38/91/264343891.db2.gz ZMFUJAHOWSMBRB-GFCCVEGCSA-N 0 1 280.799 2.505 20 30 CFEDMN N#Cc1csc(CNCc2ccc([N+](=O)[O-])cc2)c1 ZINC000093492423 265184252 /nfs/dbraw/zinc/18/42/52/265184252.db2.gz VYLIVODIWLEYOT-UHFFFAOYSA-N 0 1 273.317 2.818 20 30 CFEDMN CC[C@@H](C)NC(=O)CN(Cc1ccc(C#N)cc1)C(C)C ZINC000194989084 266359457 /nfs/dbraw/zinc/35/94/57/266359457.db2.gz QSBFILSZUDHPKU-CQSZACIVSA-N 0 1 287.407 2.683 20 30 CFEDMN C[C@@H]1CN(c2cnccc2C#N)CCN1Cc1ccccc1 ZINC000396370837 267063093 /nfs/dbraw/zinc/06/30/93/267063093.db2.gz DMARPCDXVJMIRZ-OAHLLOKOSA-N 0 1 292.386 2.664 20 30 CFEDMN C=C(Cl)CN1CCC[C@H]1[C@H]1CCCN1C(=O)CC ZINC000363110485 267075407 /nfs/dbraw/zinc/07/54/07/267075407.db2.gz JMQHBWZJCHVPJE-QWHCGFSZSA-N 0 1 270.804 2.604 20 30 CFEDMN CC#CCN1CC=C(c2ccc(OC)c(OC)c2)CC1 ZINC000367523313 267096257 /nfs/dbraw/zinc/09/62/57/267096257.db2.gz ATMLWXDFNJXATP-UHFFFAOYSA-N 0 1 271.360 2.816 20 30 CFEDMN C=C(C)CN(C)[C@@H]1CCCN(c2ccccc2)C1=O ZINC000115571548 267099701 /nfs/dbraw/zinc/09/97/01/267099701.db2.gz LXGLSXWBPVBTST-OAHLLOKOSA-N 0 1 258.365 2.690 20 30 CFEDMN CC(C)(C#N)CCCN1CCN(c2ccc(F)cn2)CC1 ZINC000367661455 267107000 /nfs/dbraw/zinc/10/70/00/267107000.db2.gz RDQGSMXUWWHQAB-UHFFFAOYSA-N 0 1 290.386 2.673 20 30 CFEDMN C=C(C)C[NH+]1CCC(C(=O)c2ccc([O-])cc2)CC1 ZINC000368442739 267172279 /nfs/dbraw/zinc/17/22/79/267172279.db2.gz QXEYBCRRRYUQGY-UHFFFAOYSA-N 0 1 259.349 2.863 20 30 CFEDMN Fc1ccc(C#CCN2CCC(n3cccn3)CC2)cc1 ZINC000368566521 267186445 /nfs/dbraw/zinc/18/64/45/267186445.db2.gz LNBHVIFQOHGSGH-UHFFFAOYSA-N 0 1 283.350 2.711 20 30 CFEDMN C[C@H]1CC[C@@H](CN2CCC(C#N)(c3ccccn3)CC2)O1 ZINC000369205705 267226063 /nfs/dbraw/zinc/22/60/63/267226063.db2.gz KLQXDSPQAHPEHS-GJZGRUSLSA-N 0 1 285.391 2.506 20 30 CFEDMN CC(C)N1CCc2nc(CN(C)C[C@H](C)C#N)sc2C1 ZINC000376353798 267964993 /nfs/dbraw/zinc/96/49/93/267964993.db2.gz QVLMSBHUPJYATC-GFCCVEGCSA-N 0 1 292.452 2.501 20 30 CFEDMN C=CCC[C@@H](O)CN[C@@H](C)c1c(F)cccc1OC ZINC000305789889 267997797 /nfs/dbraw/zinc/99/77/97/267997797.db2.gz ZQVPUXKXQKWDLM-NWDGAFQWSA-N 0 1 267.344 2.812 20 30 CFEDMN C[C@H]1C[C@@H]1c1ccc(CNCc2cc(C#N)n(C)c2)o1 ZINC000517005015 270394551 /nfs/dbraw/zinc/39/45/51/270394551.db2.gz PIVCQHWFWXLFCX-NHYWBVRUSA-N 0 1 269.348 2.903 20 30 CFEDMN COC1CCN(CC#Cc2cccc(Cl)c2)CC1 ZINC000269388333 274016412 /nfs/dbraw/zinc/01/64/12/274016412.db2.gz BOZMGOWUCNYKRK-UHFFFAOYSA-N 0 1 263.768 2.802 20 30 CFEDMN COCCN(C)CC#Cc1ccc(C(F)(F)F)cc1 ZINC000267323148 274022798 /nfs/dbraw/zinc/02/27/98/274022798.db2.gz AKMOCQXHOHCRKS-UHFFFAOYSA-N 0 1 271.282 2.635 20 30 CFEDMN Cn1nccc1CNCc1ccc(C#N)cc1C(F)(F)F ZINC000352843680 274904002 /nfs/dbraw/zinc/90/40/02/274904002.db2.gz BSCIHYRHPDMJNE-UHFFFAOYSA-N 0 1 294.280 2.600 20 30 CFEDMN CCN1C[C@H](C)N(C(=O)/C=C/c2ccc(C#N)cc2)[C@@H](C)C1 ZINC000493195392 276244646 /nfs/dbraw/zinc/24/46/46/276244646.db2.gz VBGUTYPQWSNYKX-CWCINCBISA-N 0 1 297.402 2.513 20 30 CFEDMN C=CCCC(=O)N1CCNC[C@H]1c1ccc(CC)cc1 ZINC000286095847 276883013 /nfs/dbraw/zinc/88/30/13/276883013.db2.gz NJZXFNNXLGIQQR-INIZCTEOSA-N 0 1 272.392 2.688 20 30 CFEDMN COC(=O)CCN(Cc1cccc(F)c1C#N)CC(C)C ZINC000428413737 277056513 /nfs/dbraw/zinc/05/65/13/277056513.db2.gz QEQOWSVXMAPFOK-UHFFFAOYSA-N 0 1 292.354 2.718 20 30 CFEDMN CN1CC[C@@H](NCC2(C#N)CC2)[C@H]1c1ccc(Cl)cc1 ZINC000352082949 277138198 /nfs/dbraw/zinc/13/81/98/277138198.db2.gz KNMAMFGWOVUTEQ-HUUCEWRRSA-N 0 1 289.810 2.979 20 30 CFEDMN CC(C)C(=O)N[C@@H]1CCCN([C@@H](C)c2ccc(C#N)cc2)C1 ZINC000118396194 277334514 /nfs/dbraw/zinc/33/45/14/277334514.db2.gz OAFQGOFCIKSNGI-WMLDXEAASA-N 0 1 299.418 2.856 20 30 CFEDMN C[C@@H](NCC1(C)OCCCO1)c1ccc(C#N)c(F)c1 ZINC000277393226 278340206 /nfs/dbraw/zinc/34/02/06/278340206.db2.gz YKJSDOJIEBSGJF-LLVKDONJSA-N 0 1 278.327 2.501 20 30 CFEDMN C[C@@H]1Oc2cc(F)ccc2[C@@H]1NCc1cc(C#N)n(C)c1 ZINC000334432543 279061770 /nfs/dbraw/zinc/06/17/70/279061770.db2.gz WXOXGZXCNJJYPT-MGPLVRAMSA-N 0 1 285.322 2.648 20 30 CFEDMN N#Cc1ccc(CNCCOc2ccccc2Cl)o1 ZINC000130630789 280706556 /nfs/dbraw/zinc/70/65/56/280706556.db2.gz RXWIRQRFESZYAG-UHFFFAOYSA-N 0 1 276.723 2.973 20 30 CFEDMN COCCc1ccccc1NC(=O)c1ccc(C#N)c(O)c1 ZINC000190883942 280892914 /nfs/dbraw/zinc/89/29/14/280892914.db2.gz GCMNRSXWAYUKPW-UHFFFAOYSA-N 0 1 296.326 2.705 20 30 CFEDMN CC(C)[C@@](C)(C#N)NC(=O)CN1CCC(C(C)(C)C)CC1 ZINC000172031728 335090241 /nfs/dbraw/zinc/09/02/41/335090241.db2.gz ZDRKHEPNXFCJJZ-QGZVFWFLSA-N 0 1 293.455 2.799 20 30 CFEDMN CO[C@@H]1CN(Cc2ccc(C#N)c(F)c2)CC[C@@H]1C ZINC000248845183 281037345 /nfs/dbraw/zinc/03/73/45/281037345.db2.gz MYVHHEYXDFPVPZ-XHDPSFHLSA-N 0 1 262.328 2.554 20 30 CFEDMN COc1cc(C#N)ccc1CN1CCC(OC(C)C)CC1 ZINC000535758339 281508797 /nfs/dbraw/zinc/50/87/97/281508797.db2.gz IUDWSUUYVMRENL-UHFFFAOYSA-N 0 1 288.391 2.956 20 30 CFEDMN C[C@@H](c1cccc(C#N)c1)N(C)Cc1ccc(CO)o1 ZINC000563806696 290175267 /nfs/dbraw/zinc/17/52/67/290175267.db2.gz FEPMXOZRWONBNP-LBPRGKRZSA-N 0 1 270.332 2.837 20 30 CFEDMN C=CCC(C)(C)CNC(=O)[C@@H]1CCCCN1CC ZINC000352546277 527011741 /nfs/dbraw/zinc/01/17/41/527011741.db2.gz SIPZPUPFBIEQRI-ZDUSSCGKSA-N 0 1 252.402 2.579 20 30 CFEDMN C=C(C)CN1CC[C@@H]1CN(C)C(=O)c1cccc(C)c1 ZINC001085466116 782067498 /nfs/dbraw/zinc/06/74/98/782067498.db2.gz OUQANRDWHBULIJ-MRXNPFEDSA-N 0 1 272.392 2.717 20 30 CFEDMN C=C(C)CC[N@@H+]1CC[C@@H]1CN(C)C(=O)c1ccc(C)o1 ZINC001085471384 782069296 /nfs/dbraw/zinc/06/92/96/782069296.db2.gz MTLRDJNRKMTNMM-CQSZACIVSA-N 0 1 276.380 2.701 20 30 CFEDMN C=C(C)CCN1CC[C@@H]1CN(C)C(=O)c1scnc1C ZINC001085497596 782081096 /nfs/dbraw/zinc/08/10/96/782081096.db2.gz HZKFQIJOMZQILM-CYBMUJFWSA-N 0 1 293.436 2.564 20 30 CFEDMN COC[C@H](N[C@@H]1CCC[C@H](C#N)C1)c1ccc(C)o1 ZINC000192924739 327879042 /nfs/dbraw/zinc/87/90/42/327879042.db2.gz SEVYWNXIKLIEKO-MJBXVCDLSA-N 0 1 262.353 2.948 20 30 CFEDMN Cc1ccc(/C=C\CC(=O)NC2(C#N)CCN(C)CC2)cc1 ZINC000531239654 327895633 /nfs/dbraw/zinc/89/56/33/327895633.db2.gz RHWYOIRVJWENNX-ARJAWSKDSA-N 0 1 297.402 2.503 20 30 CFEDMN C=C(C)CN(Cc1ccccc1)C(=O)[C@H](C)N1CC(C)C1 ZINC000563393660 328061611 /nfs/dbraw/zinc/06/16/11/328061611.db2.gz WZLUUDXDVBMKIF-INIZCTEOSA-N 0 1 286.419 2.932 20 30 CFEDMN C=CCOc1cccc(C[N@@H+]2CCC[C@@H](CC(=O)[O-])C2)c1 ZINC000563396543 328061789 /nfs/dbraw/zinc/06/17/89/328061789.db2.gz CLMDBSIQYVUFMW-HNNXBMFYSA-N 0 1 289.375 2.938 20 30 CFEDMN COc1cc(F)c(CNCC2(CC#N)CC2)cc1OC ZINC000563541661 328072456 /nfs/dbraw/zinc/07/24/56/328072456.db2.gz SAVVZEFUWUMHJO-UHFFFAOYSA-N 0 1 278.327 2.626 20 30 CFEDMN N#CCC[C@@H](C#N)CNCCc1cccc(C(F)(F)F)n1 ZINC000563619645 328077343 /nfs/dbraw/zinc/07/73/43/328077343.db2.gz RJROBRVIINTWJY-NSHDSACASA-N 0 1 296.296 2.676 20 30 CFEDMN CN1CC[C@H](NCCC#N)[C@@H]1c1ccc(Cl)cc1 ZINC000411747407 328098878 /nfs/dbraw/zinc/09/88/78/328098878.db2.gz KWMGOLKFKITNSR-KBPBESRZSA-N 0 1 263.772 2.588 20 30 CFEDMN C[C@H]1CN(Cc2ccc(OCC#N)cc2)CC(C)(C)O1 ZINC000264572495 328160500 /nfs/dbraw/zinc/16/05/00/328160500.db2.gz SIKDXMPXDOKOPV-ZDUSSCGKSA-N 0 1 274.364 2.588 20 30 CFEDMN N#C[C@@H]1CCC[C@H](NCc2nc3cc([N+](=O)[O-])ccc3[nH]2)C1 ZINC000278592908 328227975 /nfs/dbraw/zinc/22/79/75/328227975.db2.gz FCCLVSVBFVIGJT-MNOVXSKESA-N 0 1 299.334 2.643 20 30 CFEDMN C=CCCC[C@@H](C)NC(=O)[C@H]1CCCc2[nH]ncc21 ZINC000182590284 329243153 /nfs/dbraw/zinc/24/31/53/329243153.db2.gz NDJIXCFGGOKGDV-NEPJUHHUSA-N 0 1 261.369 2.691 20 30 CFEDMN CN(Cc1cc(Cl)cn1C)[C@@H]1CC[C@@H](C#N)C1 ZINC000292937763 328273967 /nfs/dbraw/zinc/27/39/67/328273967.db2.gz ZREYJYWDFYTSOT-ZYHUDNBSSA-N 0 1 251.761 2.803 20 30 CFEDMN CCCOc1ccc2c(c1)CCN(CCOCCC#N)C2 ZINC000293751179 328277554 /nfs/dbraw/zinc/27/75/54/328277554.db2.gz IWUBDZBMPAJHQS-UHFFFAOYSA-N 0 1 288.391 2.764 20 30 CFEDMN C#CCN(C(=O)c1cc(C2CC2)[nH]n1)C1CCCCC1 ZINC000049429736 328361051 /nfs/dbraw/zinc/36/10/51/328361051.db2.gz CHZNGZPDYGHNOF-UHFFFAOYSA-N 0 1 271.364 2.695 20 30 CFEDMN C=CCCC[N@H+](C)CC(=O)Nc1ccc([N+](=O)[O-])cc1C ZINC000121100718 328365297 /nfs/dbraw/zinc/36/52/97/328365297.db2.gz ICIDDSKPRUAMNT-UHFFFAOYSA-N 0 1 291.351 2.740 20 30 CFEDMN C=CCCCN(C)CC(=O)Nc1ccc([N+](=O)[O-])cc1C ZINC000121100718 328365298 /nfs/dbraw/zinc/36/52/98/328365298.db2.gz ICIDDSKPRUAMNT-UHFFFAOYSA-N 0 1 291.351 2.740 20 30 CFEDMN C=CC[N@H+](C)[C@@H](C)C(=O)N(C)Cc1c(F)cccc1Cl ZINC000121493400 328375158 /nfs/dbraw/zinc/37/51/58/328375158.db2.gz ZTLOSLBJSZCJKD-NSHDSACASA-N 0 1 298.789 2.944 20 30 CFEDMN C=CCN(C)[C@@H](C)C(=O)N(C)Cc1c(F)cccc1Cl ZINC000121493400 328375159 /nfs/dbraw/zinc/37/51/59/328375159.db2.gz ZTLOSLBJSZCJKD-NSHDSACASA-N 0 1 298.789 2.944 20 30 CFEDMN N#Cc1ccc(CNCCOc2ccc(Cl)cc2)o1 ZINC000174244512 323645474 /nfs/dbraw/zinc/64/54/74/323645474.db2.gz CUDWHKLNKYLQEI-UHFFFAOYSA-N 0 1 276.723 2.973 20 30 CFEDMN Cc1ccc(NC(=O)c2ccc(C#N)c(O)c2)c(F)c1 ZINC000188234425 324010943 /nfs/dbraw/zinc/01/09/43/324010943.db2.gz WAWNXMJOOWEXQU-UHFFFAOYSA-N 0 1 270.263 2.964 20 30 CFEDMN C[C@@H]1CSCCN(Cc2cc(C#N)ccc2F)C1 ZINC000190401570 324040425 /nfs/dbraw/zinc/04/04/25/324040425.db2.gz VAQVSZFDVPNXIA-NSHDSACASA-N 0 1 264.369 2.882 20 30 CFEDMN C[C@H](NCCc1cccc(C#N)c1)c1cscn1 ZINC000582879629 325241700 /nfs/dbraw/zinc/24/17/00/325241700.db2.gz XTNSAVWDPNOBSL-NSHDSACASA-N 0 1 257.362 2.908 20 30 CFEDMN CCN(CC)[C@@H](CNC[C@@H](C#N)CCC#N)c1ccco1 ZINC000564847497 327011829 /nfs/dbraw/zinc/01/18/29/327011829.db2.gz OEPMGYIQXREXSP-CABCVRRESA-N 0 1 288.395 2.696 20 30 CFEDMN COc1ccccc1C1(CNC[C@H](C#N)CCC#N)CC1 ZINC000558506812 327099752 /nfs/dbraw/zinc/09/97/52/327099752.db2.gz NEFVXQIKGJTGPL-AWEZNQCLSA-N 0 1 283.375 2.760 20 30 CFEDMN COc1cc(CN2CCC(CCC#N)CC2)ccn1 ZINC000569571420 327199976 /nfs/dbraw/zinc/19/99/76/327199976.db2.gz JQMFHDQQHIPOTJ-UHFFFAOYSA-N 0 1 259.353 2.606 20 30 CFEDMN C=C(C)CN1CCN(c2ccc(C(=O)OC)cc2)C[C@H]1C ZINC000109964903 327217666 /nfs/dbraw/zinc/21/76/66/327217666.db2.gz BWOZKGAILZNIAB-CQSZACIVSA-N 0 1 288.391 2.560 20 30 CFEDMN C[C@@H](CCC#N)N1CCC(C#N)(c2ccccn2)CC1 ZINC000582125385 327311496 /nfs/dbraw/zinc/31/14/96/327311496.db2.gz QCFFLYQZDYPLFN-AWEZNQCLSA-N 0 1 268.364 2.631 20 30 CFEDMN C=CCN1C(=O)N=NC1SCc1ccc(Cl)cn1 ZINC000561354440 327388535 /nfs/dbraw/zinc/38/85/35/327388535.db2.gz LQDFHDIDHDHMET-UHFFFAOYSA-N 0 1 282.756 2.510 20 30 CFEDMN Cc1ccnc(-c2n[nH]c([C@H](C)N[C@H]3CC[C@H](C#N)C3)n2)c1 ZINC000569911771 327555427 /nfs/dbraw/zinc/55/54/27/327555427.db2.gz OZBDKMZIZJCCGO-AVGNSLFASA-N 0 1 296.378 2.518 20 30 CFEDMN COCCN(CCCC#N)[C@@H]1CCCc2cccnc21 ZINC000375390156 329003136 /nfs/dbraw/zinc/00/31/36/329003136.db2.gz JCGPXBHQLRPYDQ-OAHLLOKOSA-N 0 1 273.380 2.711 20 30 CFEDMN CC(C)(C)OC(=O)N1CCC[C@@]2(CCN2CCCC#N)C1 ZINC000377785203 329029345 /nfs/dbraw/zinc/02/93/45/329029345.db2.gz PAFGKJFFUBGJLQ-MRXNPFEDSA-N 0 1 293.411 2.766 20 30 CFEDMN C=C[C@@H](CC(=O)N[C@H]1CCc2nc[nH]c2C1)c1ccccc1 ZINC000378319979 329045794 /nfs/dbraw/zinc/04/57/94/329045794.db2.gz XDPAURYQIJHVOW-ZFWWWQNUSA-N 0 1 295.386 2.743 20 30 CFEDMN C=CCN(CC1CCCCC1)C(=O)[C@@H]1C[C@H]1c1nc[nH]n1 ZINC000378564981 329055073 /nfs/dbraw/zinc/05/50/73/329055073.db2.gz CZFTYDBPSONUJG-ZIAGYGMSSA-N 0 1 288.395 2.503 20 30 CFEDMN C=CCOc1ccc(CNCc2cncs2)cc1 ZINC000168970168 329062280 /nfs/dbraw/zinc/06/22/80/329062280.db2.gz UJQSOYRJBMMQDP-UHFFFAOYSA-N 0 1 260.362 2.998 20 30 CFEDMN C=C(C)C[N@H+](CC)[C@H](C(=O)[O-])c1ccccc1F ZINC000583698443 329069333 /nfs/dbraw/zinc/06/93/33/329069333.db2.gz ANXYQKAOCPTCAP-ZDUSSCGKSA-N 0 1 251.301 2.849 20 30 CFEDMN C=CCN1CCN([C@H](C)c2cccc(OC)c2)CC1 ZINC000171705184 329078528 /nfs/dbraw/zinc/07/85/28/329078528.db2.gz DEKBDYVMNPFFDH-CQSZACIVSA-N 0 1 260.381 2.560 20 30 CFEDMN CC1=C[C@@H](C)CN([C@@H](C)C(=O)NC2(C#N)CCCCC2)C1 ZINC000582709961 329133352 /nfs/dbraw/zinc/13/33/52/329133352.db2.gz ROXCYCWRTLSBNT-HIFRSBDPSA-N 0 1 289.423 2.616 20 30 CFEDMN C=CCCCC(=O)NC1CCN(Cc2cccnc2)CC1 ZINC000175680067 329167772 /nfs/dbraw/zinc/16/77/72/329167772.db2.gz WTSQJEBDZIJSRP-UHFFFAOYSA-N 0 1 287.407 2.519 20 30 CFEDMN C=CCN(CC=C)C(=O)CN1CCS[C@@H]2CCCC[C@@H]21 ZINC000177196985 329180704 /nfs/dbraw/zinc/18/07/04/329180704.db2.gz LMZHXNGGNJSICS-LSDHHAIUSA-N 0 1 294.464 2.547 20 30 CFEDMN C=C(C)CN(C)CC(=O)NCc1ccc(Cl)s1 ZINC000181292569 329229796 /nfs/dbraw/zinc/22/97/96/329229796.db2.gz XRAMIHVQSQQGDL-UHFFFAOYSA-N 0 1 272.801 2.526 20 30 CFEDMN C[C@@H](NCC#Cc1ccc(F)cc1)c1cccnc1 ZINC000181661490 329235496 /nfs/dbraw/zinc/23/54/96/329235496.db2.gz BCCGDWBXQCGNBY-CYBMUJFWSA-N 0 1 254.308 2.923 20 30 CFEDMN Cn1c2ccccc2nc1C(C)(C)NCCCC#N ZINC000186565176 329345405 /nfs/dbraw/zinc/34/54/05/329345405.db2.gz QWEHGWPYRSBCKN-UHFFFAOYSA-N 0 1 256.353 2.702 20 30 CFEDMN CCCCC(=O)NC1(C#N)CCN(Cc2ccccc2)CC1 ZINC000057629004 329677809 /nfs/dbraw/zinc/67/78/09/329677809.db2.gz YQMAQPHYSHOSJJ-UHFFFAOYSA-N 0 1 299.418 2.851 20 30 CFEDMN C=CCN1CCC([NH2+]Cc2c([O-])cccc2Cl)CC1 ZINC000264956909 330062041 /nfs/dbraw/zinc/06/20/41/330062041.db2.gz MTZQAAVOHOLVBR-UHFFFAOYSA-N 0 1 280.799 2.786 20 30 CFEDMN C=C(C)COCCN[C@H](C)c1ccncc1Cl ZINC000421843352 330094289 /nfs/dbraw/zinc/09/42/89/330094289.db2.gz MOENIDMNLBJBRN-LLVKDONJSA-N 0 1 254.761 2.978 20 30 CFEDMN C#CC[N@H+](CC)Cc1cc(Cl)cc(OC)c1O ZINC000273770158 330097729 /nfs/dbraw/zinc/09/77/29/330097729.db2.gz QTLXHLABCJFYGQ-UHFFFAOYSA-N 0 1 253.729 2.509 20 30 CFEDMN C=CCOc1ccc(C[N@H+]2C[C@H](C)C[C@H](C(=O)[O-])C2)cc1 ZINC000422639516 330150631 /nfs/dbraw/zinc/15/06/31/330150631.db2.gz WWRUAPORYRDVGB-HIFRSBDPSA-N 0 1 289.375 2.794 20 30 CFEDMN C=CCC[C@H](C)N[C@H](C)c1ncc(C(=O)OC)s1 ZINC000424322695 330340521 /nfs/dbraw/zinc/34/05/21/330340521.db2.gz ILAHWABMKWELIR-VHSXEESVSA-N 0 1 268.382 2.935 20 30 CFEDMN C=CCC1(c2nc([C@H](N)CC(C)C)no2)CCOCC1 ZINC000424341712 330344202 /nfs/dbraw/zinc/34/42/02/330344202.db2.gz VVGUJBSYHTVUTQ-GFCCVEGCSA-N 0 1 279.384 2.740 20 30 CFEDMN CC(C)C[C@H](C)N1C[C@H](C#N)[C@@]2(C1)c1ccccc1NC2=O ZINC000445442812 330352561 /nfs/dbraw/zinc/35/25/61/330352561.db2.gz CNGPHOMOIAKCEF-DEYYWGMASA-N 0 1 297.402 2.766 20 30 CFEDMN C#CCN1CCC(C(=O)N2[C@H](C)C[C@@H]3CCCC[C@@H]32)CC1 ZINC000124906327 330356566 /nfs/dbraw/zinc/35/65/66/330356566.db2.gz SLLNPVZAFMKUQX-PVAVHDDUSA-N 0 1 288.435 2.511 20 30 CFEDMN C=C(CC)CN1CCC([C@H](O)C(F)(F)F)CC1 ZINC000536894268 330362491 /nfs/dbraw/zinc/36/24/91/330362491.db2.gz SXKWCMFRUCXWPX-NSHDSACASA-N 0 1 251.292 2.588 20 30 CFEDMN N#CC1(c2ccccc2)CC(N[C@@H](CO)c2ccccc2)C1 ZINC000158480825 330832255 /nfs/dbraw/zinc/83/22/55/330832255.db2.gz RGZOYTBBSICMBF-XBMUEBEBSA-N 0 1 292.382 2.934 20 30 CFEDMN C=CCN1C(=O)N=NC1SCC1=CCCCC1 ZINC000450866964 331003748 /nfs/dbraw/zinc/00/37/48/331003748.db2.gz GNFIMKYXHKFZOO-UHFFFAOYSA-N 0 1 251.355 2.762 20 30 CFEDMN CN(C(=O)[C@@H]1CCN(CC2(C#N)CCC2)C1)c1ccccc1 ZINC000450917702 331007105 /nfs/dbraw/zinc/00/71/05/331007105.db2.gz UDOXUSVMNXEBFU-OAHLLOKOSA-N 0 1 297.402 2.665 20 30 CFEDMN C[C@@H](c1ccccc1)[C@@H](O)CN(C)CC(C)(C)C#N ZINC000451067180 331014633 /nfs/dbraw/zinc/01/46/33/331014633.db2.gz WOFWJKZTHGMIBN-ZFWWWQNUSA-N 0 1 260.381 2.633 20 30 CFEDMN C=CC(C)(C)C(=O)N(C)Cc1cc(C(C)(C)C)[nH]n1 ZINC000451225520 331021070 /nfs/dbraw/zinc/02/10/70/331021070.db2.gz IEUMMKAFPHFYEZ-UHFFFAOYSA-N 0 1 263.385 2.878 20 30 CFEDMN CCO[C@@H]1CCN(CC#Cc2ccccc2)C[C@@H]1C ZINC000451523129 331032482 /nfs/dbraw/zinc/03/24/82/331032482.db2.gz CKVGSYJOUMZACM-DOTOQJQBSA-N 0 1 257.377 2.785 20 30 CFEDMN C=C[C@@H]1OCC[C@H]1NCc1c(Cl)cccc1OC ZINC000451610621 331036847 /nfs/dbraw/zinc/03/68/47/331036847.db2.gz HCSYYOQRYQHSHF-OLZOCXBDSA-N 0 1 267.756 2.782 20 30 CFEDMN C=C[C@@H]1OCC[C@H]1NCc1ccc(C(F)(F)F)cn1 ZINC000451613027 331037027 /nfs/dbraw/zinc/03/70/27/331037027.db2.gz LYIGOLIBDXKFNP-NEPJUHHUSA-N 0 1 272.270 2.534 20 30 CFEDMN Cc1ccc(C(=O)C(C#N)c2ccncn2)c(C(C)C)n1 ZINC000453757596 331137959 /nfs/dbraw/zinc/13/79/59/331137959.db2.gz WKNIQCDUEKYMHW-CYBMUJFWSA-N 0 1 280.331 2.794 20 30 CFEDMN Cc1ccc(C(=O)[C@H](C#N)c2ccncn2)c(C(C)C)n1 ZINC000453757596 331137960 /nfs/dbraw/zinc/13/79/60/331137960.db2.gz WKNIQCDUEKYMHW-CYBMUJFWSA-N 0 1 280.331 2.794 20 30 CFEDMN C=CC(C)(C)CNC(=O)NC[C@@H](c1ccsc1)N(C)C ZINC000454235499 331142544 /nfs/dbraw/zinc/14/25/44/331142544.db2.gz GJDBLCIQWJMRTG-ZDUSSCGKSA-N 0 1 295.452 2.862 20 30 CFEDMN C=CCC1(NC(=O)Cc2cc(C)n[nH]2)CCCCC1 ZINC000456363875 331191114 /nfs/dbraw/zinc/19/11/14/331191114.db2.gz JDKZQBBDFCHHLG-UHFFFAOYSA-N 0 1 261.369 2.656 20 30 CFEDMN C=C(CC)CNC(=O)[C@H]1CCc2[nH]c(C(C)C)nc2C1 ZINC000456815690 331205482 /nfs/dbraw/zinc/20/54/82/331205482.db2.gz YXNOMHUXSWJWMI-LBPRGKRZSA-N 0 1 275.396 2.720 20 30 CFEDMN C=C(CC)CNC(=O)NC[C@@H](c1cccc(F)c1)N(C)C ZINC000457465195 331223818 /nfs/dbraw/zinc/22/38/18/331223818.db2.gz CIRDSCHKFVIMSJ-HNNXBMFYSA-N 0 1 293.386 2.694 20 30 CFEDMN C=CCC(C)(C)CNC(=O)N1CCN([C@H](C)CC)CC1 ZINC000458812857 331261050 /nfs/dbraw/zinc/26/10/50/331261050.db2.gz RLFNKESYTBCUOX-CQSZACIVSA-N 0 1 281.444 2.714 20 30 CFEDMN C=CCC(C)(C)CNC(=O)N1CCN(CC)C[C@H]1CC ZINC000458816057 331261388 /nfs/dbraw/zinc/26/13/88/331261388.db2.gz ZWMFDLOVEBCVJQ-CQSZACIVSA-N 0 1 281.444 2.714 20 30 CFEDMN CC#CCCN(CC(N)=O)[C@@H](C)c1ccc(CCC)cc1 ZINC000462316098 331319305 /nfs/dbraw/zinc/31/93/05/331319305.db2.gz RNFSAZGZUCBFAY-HNNXBMFYSA-N 0 1 286.419 2.901 20 30 CFEDMN CC[C@@](C)(C#N)C(=O)Nc1ccc2nc(C)[nH]c2c1 ZINC000505222310 331360000 /nfs/dbraw/zinc/36/00/00/331360000.db2.gz FRMPEUWYKSJRIH-AWEZNQCLSA-N 0 1 256.309 2.750 20 30 CFEDMN C=C[C@H]1CCCCN1Cc1cc(-c2cnn(C)c2)no1 ZINC000489424270 332051076 /nfs/dbraw/zinc/05/10/76/332051076.db2.gz IJMIWLDMVUMADW-ZDUSSCGKSA-N 0 1 272.352 2.616 20 30 CFEDMN C=C[C@H]1CCCCN1CC(=O)N(C)[C@@H](C)CC(C)C ZINC000489470406 332054658 /nfs/dbraw/zinc/05/46/58/332054658.db2.gz CIAFCRMXUWAGBV-GJZGRUSLSA-N 0 1 266.429 2.920 20 30 CFEDMN C=C[C@@H]1CCCCN1CC(=O)NCc1ccccc1C ZINC000489474850 332054917 /nfs/dbraw/zinc/05/49/17/332054917.db2.gz LBIMFMZHELOBON-MRXNPFEDSA-N 0 1 272.392 2.652 20 30 CFEDMN C=C[C@H]1CCCCN1CC(=O)N1[C@H](C)CCC[C@@H]1C ZINC000489484872 332055641 /nfs/dbraw/zinc/05/56/41/332055641.db2.gz QFGVNBVFFLMALK-ZNMIVQPWSA-N 0 1 264.413 2.816 20 30 CFEDMN C=C[C@H]1CCCCN1CC(=O)N(C1CC1)C1CCCC1 ZINC000489483642 332055799 /nfs/dbraw/zinc/05/57/99/332055799.db2.gz SYIBGUKRMKJAKD-AWEZNQCLSA-N 0 1 276.424 2.961 20 30 CFEDMN CC#CCN(C)[C@@H](COC)c1ccc(Cl)cc1 ZINC000490041433 332076785 /nfs/dbraw/zinc/07/67/85/332076785.db2.gz ZUTKUNYSWOUIDC-AWEZNQCLSA-N 0 1 251.757 2.983 20 30 CFEDMN C#CCN1CCC(C(=O)OCc2ccc(CC)cc2)CC1 ZINC000490865696 332121930 /nfs/dbraw/zinc/12/19/30/332121930.db2.gz GKMCEDIQMCYPCA-UHFFFAOYSA-N 0 1 285.387 2.637 20 30 CFEDMN C#C[C@@H](C)N(C)Cc1c[nH]nc1-c1ccc(OC)cc1 ZINC000491252267 332174241 /nfs/dbraw/zinc/17/42/41/332174241.db2.gz GYWKYGJTGPLWPK-GFCCVEGCSA-N 0 1 269.348 2.539 20 30 CFEDMN C#CCN(Cc1cnc(C2CC2)nc1)C1CCCC1 ZINC000491485055 332220070 /nfs/dbraw/zinc/22/00/70/332220070.db2.gz MSHATNDNABDRDK-UHFFFAOYSA-N 0 1 255.365 2.732 20 30 CFEDMN C#C[C@H](NC(=O)NCc1nc2cccc(C)c2[nH]1)C(C)(C)C ZINC000491522974 332228651 /nfs/dbraw/zinc/22/86/51/332228651.db2.gz APUDGOIMGXVQJY-ZDUSSCGKSA-N 0 1 298.390 2.718 20 30 CFEDMN C#CCN1CCC(C(=O)OC[C@@H]2C[C@H]2c2ccccc2)CC1 ZINC000491546453 332235526 /nfs/dbraw/zinc/23/55/26/332235526.db2.gz VXGMDAWKPSACQD-ROUUACIJSA-N 0 1 297.398 2.679 20 30 CFEDMN C#C[C@@H](NCc1c(C(C)C)nc2sc(C)nn12)C(C)C ZINC000491623868 332248246 /nfs/dbraw/zinc/24/82/46/332248246.db2.gz GJOIHOUYCMZGQD-GFCCVEGCSA-N 0 1 290.436 2.970 20 30 CFEDMN C#C[C@@H](CC)NCc1ccnn1-c1ccc(F)cc1 ZINC000491633423 332255180 /nfs/dbraw/zinc/25/51/80/332255180.db2.gz QWVGZASCHQWONL-ZDUSSCGKSA-N 0 1 257.312 2.513 20 30 CFEDMN C#C[C@H](CC)NCc1cc(OC)ccc1OC(F)F ZINC000491635409 332256471 /nfs/dbraw/zinc/25/64/71/332256471.db2.gz WNNIATWPJNLSIG-LLVKDONJSA-N 0 1 269.291 2.798 20 30 CFEDMN C#C[C@@H](C)N(C)C[C@H](O)c1ccc(C(F)(F)F)cc1 ZINC000491651773 332264842 /nfs/dbraw/zinc/26/48/42/332264842.db2.gz IXNGTVYTKGGUFV-MFKMUULPSA-N 0 1 271.282 2.692 20 30 CFEDMN C#C[C@@H](C)N(C)Cc1cc(Cl)c(O)c(OCC)c1 ZINC000491693873 332290019 /nfs/dbraw/zinc/29/00/19/332290019.db2.gz JXCBVXVJOOEMSQ-SNVBAGLBSA-N 0 1 267.756 2.898 20 30 CFEDMN C#C[C@@H](C)N(C)C(=O)c1cc(C2CCCCC2)[nH]n1 ZINC000491771189 332337938 /nfs/dbraw/zinc/33/79/38/332337938.db2.gz OIMPCACXMRNISA-LLVKDONJSA-N 0 1 259.353 2.551 20 30 CFEDMN C#CCn1ccc(CN(CCOC)CCC(C)(C)CC)n1 ZINC000491810773 332363404 /nfs/dbraw/zinc/36/34/04/332363404.db2.gz ALPPYXVRQMLSHL-UHFFFAOYSA-N 0 1 291.439 2.791 20 30 CFEDMN CC(C)[C@@](C)(CNC(=O)OC(C)(C)C)NCC1(C#N)CC1 ZINC000494502050 332476300 /nfs/dbraw/zinc/47/63/00/332476300.db2.gz CJAHSDXHAGSMCY-OAHLLOKOSA-N 0 1 295.427 2.819 20 30 CFEDMN C=CCCN1CC[C@@H]1CN(C)C(=O)c1oc(C)cc1C ZINC001085539523 782095545 /nfs/dbraw/zinc/09/55/45/782095545.db2.gz YNGBFWFKCJCUQE-CQSZACIVSA-N 0 1 276.380 2.619 20 30 CFEDMN C#CCN1CCC(C(=O)Oc2c(C)ccc(C)c2C)CC1 ZINC000195093546 333245207 /nfs/dbraw/zinc/24/52/07/333245207.db2.gz HQTRTQSSVRJJRP-UHFFFAOYSA-N 0 1 285.387 2.862 20 30 CFEDMN C=CC[C@@H](C)NC(=O)c1cccc(Br)c1O ZINC000522665818 333295593 /nfs/dbraw/zinc/29/55/93/333295593.db2.gz XDGIWGDXCZUBLF-MRVPVSSYSA-N 0 1 284.153 2.849 20 30 CFEDMN C#C[C@@H](CC)NCc1nc2ccccc2n1CCC ZINC000229894521 333311094 /nfs/dbraw/zinc/31/10/94/333311094.db2.gz YOAOKSMWNAKRKU-ZDUSSCGKSA-N 0 1 255.365 2.948 20 30 CFEDMN CC(C)(C#N)CCN1CCC([C@](C)(O)C(F)(F)F)CC1 ZINC000545931770 334007468 /nfs/dbraw/zinc/00/74/68/334007468.db2.gz DLYLEQLUWUOXRX-ZDUSSCGKSA-N 0 1 292.345 2.952 20 30 CFEDMN C=C(CC)CN1CCC([C@](C)(O)C(F)(F)F)CC1 ZINC000546639109 334042792 /nfs/dbraw/zinc/04/27/92/334042792.db2.gz NFYZWBQAUPGCKK-LBPRGKRZSA-N 0 1 265.319 2.978 20 30 CFEDMN C=CCC[C@H](O)CN(Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000135220741 334119946 /nfs/dbraw/zinc/11/99/46/334119946.db2.gz JIJJAROWIAYVEF-HNNXBMFYSA-N 0 1 290.363 2.886 20 30 CFEDMN COc1cc(C)c(C[C@H](C)NC[C@@H](C)C#N)cc1OC ZINC000548869907 334177613 /nfs/dbraw/zinc/17/76/13/334177613.db2.gz WHRLGBNUHKSVTL-AAEUAGOBSA-N 0 1 276.380 2.693 20 30 CFEDMN N#C[C@@H]1CC[C@H](N2CCC[C@@H](OCC(F)(F)F)C2)C1 ZINC000549844431 334206508 /nfs/dbraw/zinc/20/65/08/334206508.db2.gz UPGUNNVWAZHCSH-GRYCIOLGSA-N 0 1 276.302 2.722 20 30 CFEDMN C#CCN1CCC(C(=O)N2CCC[C@H]2CCC(C)C)CC1 ZINC000155476850 334722046 /nfs/dbraw/zinc/72/20/46/334722046.db2.gz MGEZKUGTBBKEFM-KRWDZBQOSA-N 0 1 290.451 2.759 20 30 CFEDMN C#CCN1CCC(C(=O)N2CCC[C@@H]2[C@@H](C)CCC)CC1 ZINC000155801100 334729790 /nfs/dbraw/zinc/72/97/90/334729790.db2.gz DANOECBSMKQVAS-DOTOQJQBSA-N 0 1 290.451 2.759 20 30 CFEDMN CC[C@@H](CC#N)NCCC(=O)Nc1cccc(F)c1C ZINC000577003415 335277239 /nfs/dbraw/zinc/27/72/39/335277239.db2.gz RNWFXAFHGLSWIV-LBPRGKRZSA-N 0 1 277.343 2.745 20 30 CFEDMN N#CCC1(CNCc2cnc([C@@H]3CCCO3)s2)CC1 ZINC000577133492 335306404 /nfs/dbraw/zinc/30/64/04/335306404.db2.gz YREYMUNVJYYTMR-LBPRGKRZSA-N 0 1 277.393 2.778 20 30 CFEDMN N#CC[C@H](Cc1nc(C2(N)CCC2)no1)c1ccccc1 ZINC000577279914 335334588 /nfs/dbraw/zinc/33/45/88/335334588.db2.gz RIKCODJDQXPVQP-CYBMUJFWSA-N 0 1 282.347 2.647 20 30 CFEDMN C=CCN(CC=C)C(=O)CNC(C)(C)c1cccc(F)c1 ZINC000179566328 335501281 /nfs/dbraw/zinc/50/12/81/335501281.db2.gz PACYNZGWIKBQTN-UHFFFAOYSA-N 0 1 290.382 2.851 20 30 CFEDMN N#CCCN[C@@H]1C[C@H]1c1ccc(Br)cc1 ZINC000579702069 335868140 /nfs/dbraw/zinc/86/81/40/335868140.db2.gz PANDNKXXEFGYRN-NWDGAFQWSA-N 0 1 265.154 2.808 20 30 CFEDMN C=CCN(CCc1ccccc1)C(=O)[C@H](C)Cc1cnc[nH]1 ZINC000581893701 336161816 /nfs/dbraw/zinc/16/18/16/336161816.db2.gz YMXCHXZPQRWUBI-OAHLLOKOSA-N 0 1 297.402 2.846 20 30 CFEDMN C=C(C)CN1CC[C@@H]1CN(C)C(=O)[C@@H]1C[C@H]1C(C)(C)C ZINC001085719295 782143632 /nfs/dbraw/zinc/14/36/32/782143632.db2.gz PMNFJKYXGAXFIT-RBSFLKMASA-N 0 1 278.440 2.777 20 30 CFEDMN C=CCCN1CC[C@@H]1CN(C)C(=O)c1cc2ncccc2o1 ZINC001085727687 782145491 /nfs/dbraw/zinc/14/54/91/782145491.db2.gz FAHLQQUPVGBNAE-CYBMUJFWSA-N 0 1 299.374 2.550 20 30 CFEDMN COC(=O)c1cc(-c2ccc(O)c(F)c2F)ccc1C#N ZINC001243341881 782145944 /nfs/dbraw/zinc/14/59/44/782145944.db2.gz ZJKFHFIJUNRPPZ-UHFFFAOYSA-N 0 1 289.237 2.996 20 30 CFEDMN C=C(C)C[N@@H+]1CC[C@@H]1CN(C)C(=O)[C@@H]1C[C@@H]2CCCC[C@H]12 ZINC001085739938 782149356 /nfs/dbraw/zinc/14/93/56/782149356.db2.gz CSTHSLVSCQBOKY-VVLHAWIVSA-N 0 1 290.451 2.922 20 30 CFEDMN C=C(C)CN1CC[C@@H]1CN(C)C(=O)[C@@H]1C[C@@H]2CCCC[C@H]12 ZINC001085739938 782149361 /nfs/dbraw/zinc/14/93/61/782149361.db2.gz CSTHSLVSCQBOKY-VVLHAWIVSA-N 0 1 290.451 2.922 20 30 CFEDMN C=C(Br)CN1CCC[C@H]([C@H]2CCOC2)C1 ZINC000749561315 574300182 /nfs/dbraw/zinc/30/01/82/574300182.db2.gz QDAJTYRYYBTVTM-RYUDHWBXSA-N 0 1 274.202 2.644 20 30 CFEDMN COc1ccc(C#N)cc1NC(=O)c1cccc2cn[nH]c21 ZINC000140973619 500845220 /nfs/dbraw/zinc/84/52/20/500845220.db2.gz SZQVKTHUIVEBSX-UHFFFAOYSA-N 0 1 292.298 2.695 20 30 CFEDMN COC(=O)c1cc(C(C)(C)NCCCC(C)(C)C#N)no1 ZINC000351998371 533751239 /nfs/dbraw/zinc/75/12/39/533751239.db2.gz UXGDBYFGGYAGNU-UHFFFAOYSA-N 0 1 293.367 2.616 20 30 CFEDMN C[C@@H]1C[C@@]1(C#N)C(=O)Nc1cccc(Cl)c1O ZINC000334643099 533759956 /nfs/dbraw/zinc/75/99/56/533759956.db2.gz CSZKOXRWQJATDG-KRTXAFLBSA-N 0 1 250.685 2.534 20 30 CFEDMN COc1cc(CNCc2cc(C)nc(C)c2)ccc1C#N ZINC000421372274 533887863 /nfs/dbraw/zinc/88/78/63/533887863.db2.gz FNYKCDOVFRCWBU-UHFFFAOYSA-N 0 1 281.359 2.869 20 30 CFEDMN CCN(CC)C(=O)CN(Cc1ccc(C#N)cc1)C(C)C ZINC000063751108 520480700 /nfs/dbraw/zinc/48/07/00/520480700.db2.gz MLZOZLPQFLXSLF-UHFFFAOYSA-N 0 1 287.407 2.637 20 30 CFEDMN C=CCCN1CC[C@@H]1CN(C)C(=O)c1nc(Cl)cs1 ZINC001085781663 782162668 /nfs/dbraw/zinc/16/26/68/782162668.db2.gz BIGPDRFJLGXLPZ-SNVBAGLBSA-N 0 1 299.827 2.519 20 30 CFEDMN N#CC1(CN2C[C@@H](c3ccc(Cl)cc3)[C@H](CO)C2)CC1 ZINC000352756483 534549066 /nfs/dbraw/zinc/54/90/66/534549066.db2.gz CZANHKINMNXLBG-ZFWWWQNUSA-N 0 1 290.794 2.651 20 30 CFEDMN Cc1nc([C@@H]2CCCCN2Cc2ccc(CC#N)cc2)n[nH]1 ZINC000331855087 534555891 /nfs/dbraw/zinc/55/58/91/534555891.db2.gz AMGBCXIYMCRCJG-INIZCTEOSA-N 0 1 295.390 2.906 20 30 CFEDMN Cc1cnc(N2CCN(CC(C)(C)CCC#N)CC2)s1 ZINC000353717459 534564905 /nfs/dbraw/zinc/56/49/05/534564905.db2.gz WKUKQAVXVLDVFL-UHFFFAOYSA-N 0 1 292.452 2.904 20 30 CFEDMN CCc1nc(CNCCc2cccc(C#N)c2)cs1 ZINC000341476933 522343486 /nfs/dbraw/zinc/34/34/86/522343486.db2.gz YUNACOAIHGAHKV-UHFFFAOYSA-N 0 1 271.389 2.909 20 30 CFEDMN CCc1nc(CNc2c(C#N)cnc3ccc(C)cc32)n[nH]1 ZINC000294936475 522357901 /nfs/dbraw/zinc/35/79/01/522357901.db2.gz LDTCOGKKRUOALA-UHFFFAOYSA-N 0 1 292.346 2.708 20 30 CFEDMN COc1cc(CNCc2ccc3cc[nH]c3n2)ccc1C#N ZINC000353216031 522464186 /nfs/dbraw/zinc/46/41/86/522464186.db2.gz GFFNXDJJRVDOPG-UHFFFAOYSA-N 0 1 292.342 2.733 20 30 CFEDMN CN(CC(=O)Nc1sccc1C#N)CC1CCCC1 ZINC000049492096 522524374 /nfs/dbraw/zinc/52/43/74/522524374.db2.gz RHPWOJVFDHHUQM-UHFFFAOYSA-N 0 1 277.393 2.680 20 30 CFEDMN CC[C@@H](O)[C@H]1CCCCN1Cc1cccc(C#N)c1F ZINC000340926353 523012012 /nfs/dbraw/zinc/01/20/12/523012012.db2.gz SBMPPPHIUQBZRK-HUUCEWRRSA-N 0 1 276.355 2.823 20 30 CFEDMN CN(Cc1cccc(C#N)c1F)[C@H](CO)C(C)(C)C ZINC000340875764 523295715 /nfs/dbraw/zinc/29/57/15/523295715.db2.gz GJBKLGBUZUKCMN-CYBMUJFWSA-N 0 1 264.344 2.536 20 30 CFEDMN CC[C@@H]1CN(CCCOc2cccc(C#N)c2)C[C@H](C)O1 ZINC000156337170 523437941 /nfs/dbraw/zinc/43/79/41/523437941.db2.gz ZTMLHFHHSVLZGL-GOEBONIOSA-N 0 1 288.391 2.826 20 30 CFEDMN C=CCCCN1CCOC[C@H]1C[C@@H](O)c1ccccc1 ZINC000268735810 534719037 /nfs/dbraw/zinc/71/90/37/534719037.db2.gz YIJVBOFVUMOVTJ-IAGOWNOFSA-N 0 1 275.392 2.777 20 30 CFEDMN CCc1ccc([C@H](CO)NCc2ccc(C#N)cc2)cc1 ZINC000305260600 524049393 /nfs/dbraw/zinc/04/93/93/524049393.db2.gz NZKHRZSYKJELPZ-SFHVURJKSA-N 0 1 280.371 2.944 20 30 CFEDMN C[C@H]1CSC[C@H]1NCc1ccc(F)cc1C#N ZINC000335149987 524762573 /nfs/dbraw/zinc/76/25/73/524762573.db2.gz CBMDHGXYHHBTMU-TVQRCGJNSA-N 0 1 250.342 2.538 20 30 CFEDMN Cc1cc(CN[C@H]2CCCc3c[nH]nc32)ccc1C#N ZINC000336426306 524783338 /nfs/dbraw/zinc/78/33/38/524783338.db2.gz FROCMEHLBBPFLF-HNNXBMFYSA-N 0 1 266.348 2.757 20 30 CFEDMN N#Cc1csc(CNCCc2ccc(F)c(F)c2F)n1 ZINC000352843466 534829568 /nfs/dbraw/zinc/82/95/68/534829568.db2.gz WSSVUGOWHDEJEY-UHFFFAOYSA-N 0 1 297.305 2.764 20 30 CFEDMN Cc1n[nH]c(C(=O)N[C@@H]2CCCc3cc(C#N)ccc32)c1C ZINC000334918785 525468671 /nfs/dbraw/zinc/46/86/71/525468671.db2.gz ZIGGWHSBSKQTGS-OAHLLOKOSA-N 0 1 294.358 2.706 20 30 CFEDMN C[C@@H](NCc1cncc(F)c1)c1ccc(C#N)cc1 ZINC000230938569 525551377 /nfs/dbraw/zinc/55/13/77/525551377.db2.gz LVVYDSQORZIAML-LLVKDONJSA-N 0 1 255.296 2.943 20 30 CFEDMN Cc1c(C#N)cccc1NC(=O)c1ccc2cncn2c1 ZINC000339963593 525551724 /nfs/dbraw/zinc/55/17/24/525551724.db2.gz JJZCHKJTFVAQGP-UHFFFAOYSA-N 0 1 276.299 2.767 20 30 CFEDMN C[C@@H]1[C@H](CO)CCCN1Cc1ccc(C#N)cc1Cl ZINC000335180375 525697655 /nfs/dbraw/zinc/69/76/55/525697655.db2.gz QANXSMJPNBKKOU-RISCZKNCSA-N 0 1 278.783 2.804 20 30 CFEDMN C=C(C)CCc1noc(-c2ccc3cncn3c2)n1 ZINC000347258620 526465526 /nfs/dbraw/zinc/46/55/26/526465526.db2.gz FSEVIXGBMABENE-UHFFFAOYSA-N 0 1 254.293 2.893 20 30 CFEDMN C=C(C)CN(C)C(=O)NCc1ccc(CN(C)C)c(F)c1 ZINC000352270404 526488150 /nfs/dbraw/zinc/48/81/50/526488150.db2.gz GGGLEPRIRUTMQD-UHFFFAOYSA-N 0 1 293.386 2.605 20 30 CFEDMN N#Cc1c(F)cccc1CN1CC[C@H]([C@@H]2CCOC2)C1 ZINC000336110260 526523365 /nfs/dbraw/zinc/52/33/65/526523365.db2.gz CCQGUBIBWVTJAW-GXTWGEPZSA-N 0 1 274.339 2.556 20 30 CFEDMN N#Cc1cc(F)ccc1CN1CCC[C@H]2COCC[C@H]21 ZINC000336041904 526559607 /nfs/dbraw/zinc/55/96/07/526559607.db2.gz NWPQIAXCNOMCME-XJKSGUPXSA-N 0 1 274.339 2.698 20 30 CFEDMN C=C(C)CNC(=O)[C@H](CC)N(C)Cc1ccccc1 ZINC000355946882 526621446 /nfs/dbraw/zinc/62/14/46/526621446.db2.gz YTEBTSFHHWCOAY-HNNXBMFYSA-N 0 1 260.381 2.589 20 30 CFEDMN N#Cc1ccc(CN[C@@H]2COCc3ccccc32)s1 ZINC000334939843 526625552 /nfs/dbraw/zinc/62/55/52/526625552.db2.gz XMLLOOKVSAAUTE-OAHLLOKOSA-N 0 1 270.357 2.981 20 30 CFEDMN N#Cc1ccc(NCCN2CCCC2)c(Br)c1 ZINC000213228294 526661668 /nfs/dbraw/zinc/66/16/68/526661668.db2.gz QWPWIENKTSKEGW-UHFFFAOYSA-N 0 1 294.196 2.828 20 30 CFEDMN N#Cc1ccc([C@H](O)CN2Cc3ccccc3C2)cc1 ZINC000050911275 526689227 /nfs/dbraw/zinc/68/92/27/526689227.db2.gz OQGLVZYYRXYMBL-QGZVFWFLSA-N 0 1 264.328 2.607 20 30 CFEDMN N#Cc1cccc(CN[C@@H]2COCc3ccccc32)c1 ZINC000225991100 526708824 /nfs/dbraw/zinc/70/88/24/526708824.db2.gz IVYSTJDGNCNZJQ-QGZVFWFLSA-N 0 1 264.328 2.919 20 30 CFEDMN Cc1n[nH]c(C2CCN(Cc3cc(C#N)ccc3F)CC2)n1 ZINC000365108476 526782777 /nfs/dbraw/zinc/78/27/77/526782777.db2.gz CLGPCDUHGYWLFZ-UHFFFAOYSA-N 0 1 299.353 2.504 20 30 CFEDMN C=C(C)[C@H]1OCC[C@@H]1c1nc(-c2ccn3cncc3c2)no1 ZINC000347205106 526834999 /nfs/dbraw/zinc/83/49/99/526834999.db2.gz VHRIVNALKPIUHO-UONOGXRCSA-N 0 1 296.330 2.833 20 30 CFEDMN C=CCC(C)(C)CNC(=O)Cc1[nH]nc2ccccc21 ZINC000352512648 527003211 /nfs/dbraw/zinc/00/32/11/527003211.db2.gz YVDPUSSISNWESX-UHFFFAOYSA-N 0 1 271.364 2.824 20 30 CFEDMN Cc1nc2cccc(C(=O)Nc3cccc(C#N)c3)c2[nH]1 ZINC000074732692 527098047 /nfs/dbraw/zinc/09/80/47/527098047.db2.gz UXFPBFFYVIKRGM-UHFFFAOYSA-N 0 1 276.299 2.995 20 30 CFEDMN Cc1nc2cccc(C(=O)NCc3ccc(C#N)cc3)c2[nH]1 ZINC000338506703 527153916 /nfs/dbraw/zinc/15/39/16/527153916.db2.gz YDXCOUWEWNLFCB-UHFFFAOYSA-N 0 1 290.326 2.673 20 30 CFEDMN C=CCC[C@@H](NC(=O)N1CCN[C@H](C)C1)c1ccccc1 ZINC000417907161 527440202 /nfs/dbraw/zinc/44/02/02/527440202.db2.gz DNYDWYQLDYGSEZ-GDBMZVCRSA-N 0 1 287.407 2.697 20 30 CFEDMN C=CCC[C@H](NC(=O)N1CCN[C@@H](C)C1)c1ccccc1 ZINC000417907165 527476588 /nfs/dbraw/zinc/47/65/88/527476588.db2.gz DNYDWYQLDYGSEZ-HOCLYGCPSA-N 0 1 287.407 2.697 20 30 CFEDMN C=C[C@H](CO)N[C@@H](COC)c1cccc(C(F)(F)F)c1 ZINC000353576754 527595591 /nfs/dbraw/zinc/59/55/91/527595591.db2.gz OQFYKRHCXAPKIX-OLZOCXBDSA-N 0 1 289.297 2.529 20 30 CFEDMN CCC[C@@H]1CCCN(C([O-])=[NH+][C@@H]2CCn3ccnc3C2)C1 ZINC000330198848 527743969 /nfs/dbraw/zinc/74/39/69/527743969.db2.gz URGZUDRQUUEWSO-ZIAGYGMSSA-N 0 1 290.411 2.624 20 30 CFEDMN CCC[C@@H]1CCCN(C([O-])=[NH+][C@H]2CCn3ccnc3C2)C1 ZINC000330198847 527744042 /nfs/dbraw/zinc/74/40/42/527744042.db2.gz URGZUDRQUUEWSO-KGLIPLIRSA-N 0 1 290.411 2.624 20 30 CFEDMN CC(C)c1nc(CN(C)[C@H](C)c2cccc(C#N)c2)n[nH]1 ZINC000425541280 528245601 /nfs/dbraw/zinc/24/56/01/528245601.db2.gz WKOQMJYQYUSVJS-GFCCVEGCSA-N 0 1 283.379 2.993 20 30 CFEDMN CC(C)C[C@@H]1CCCN1C([O-])=[NH+][C@H]1CCn2ccnc2C1 ZINC000330192374 528377108 /nfs/dbraw/zinc/37/71/08/528377108.db2.gz NSJVGDLUNPQXDP-KBPBESRZSA-N 0 1 290.411 2.622 20 30 CFEDMN COc1cc(C=C(C)c2nc(C)c(C#N)c(=O)[nH]2)ccc1C ZINC000435338971 536873361 /nfs/dbraw/zinc/87/33/61/536873361.db2.gz MEEMHXRGNKCRPL-XFFZJAGNSA-N 0 1 295.342 2.828 20 30 CFEDMN COc1cc(C#N)ccc1CN1CC2(CCC2)[C@H]2COC[C@@H]21 ZINC000459672304 536877325 /nfs/dbraw/zinc/87/73/25/536877325.db2.gz LFBWBPVSDOFUED-HOTGVXAUSA-N 0 1 298.386 2.568 20 30 CFEDMN C=C[C@@H](C)NC(=O)[C@H]1CCCCN1Cc1ccccc1 ZINC000155856823 545573394 /nfs/dbraw/zinc/57/33/94/545573394.db2.gz ZQIRDOWRNNNNGG-GDBMZVCRSA-N 0 1 272.392 2.732 20 30 CFEDMN N#Cc1ccc(O)c(NC(=O)[C@]23CCO[C@@H]2CCCC3)c1 ZINC000935107532 649876295 /nfs/dbraw/zinc/87/62/95/649876295.db2.gz IFNLRTBISFMFNO-GDBMZVCRSA-N 0 1 286.331 2.552 20 30 CFEDMN Cc1ccc(C#N)cc1C(=O)N[C@@H](C)c1n[nH]c(C(C)C)n1 ZINC000935143974 649879729 /nfs/dbraw/zinc/87/97/29/649879729.db2.gz BXOWRPXFFAYKEB-NSHDSACASA-N 0 1 297.362 2.599 20 30 CFEDMN COC1(C(=O)C(C#N)c2nc(C)cs2)CCCC1 ZINC000753891684 574053026 /nfs/dbraw/zinc/05/30/26/574053026.db2.gz PBXVJEJFKYJNCE-JTQLQIEISA-N 0 1 264.350 2.587 20 30 CFEDMN CC(=NNC1=N[C@@H]2CCCC[C@H]2N1)c1ccc(F)c(F)c1 ZINC000753934223 574056100 /nfs/dbraw/zinc/05/61/00/574056100.db2.gz HOKZREURIJVWCH-ZIAGYGMSSA-N 0 1 292.333 2.549 20 30 CFEDMN CCc1ccc(C(C)=NNC2=N[C@@H]3CCCC[C@@H]3N2)cc1 ZINC000753935355 574056229 /nfs/dbraw/zinc/05/62/29/574056229.db2.gz NPGWNLZEFWBBQR-IYBDPMFKSA-N 0 1 284.407 2.833 20 30 CFEDMN Cc1[nH]c2ccccc2c1C=NNC1=N[C@H]2CCCC[C@@H]2N1 ZINC000753937763 574056747 /nfs/dbraw/zinc/05/67/47/574056747.db2.gz GIYXPWKNEYSFIT-HOTGVXAUSA-N 0 1 295.390 2.670 20 30 CFEDMN CN(C)c1ccc(C=[NH+][N-]c2ccc(Cl)nn2)cc1F ZINC000727650074 574058238 /nfs/dbraw/zinc/05/82/38/574058238.db2.gz HIDZPCHYHSHUAC-UHFFFAOYSA-N 0 1 293.733 2.781 20 30 CFEDMN C#CCN(CC(=O)N1CCCCCC1)C1CCCCC1 ZINC000744212600 574061581 /nfs/dbraw/zinc/06/15/81/574061581.db2.gz SZNLPLQXCOXRFG-UHFFFAOYSA-N 0 1 276.424 2.657 20 30 CFEDMN Cn1c2ccccc2nc1C(C#N)C(=O)C1(C)CCC1 ZINC000750680367 574072473 /nfs/dbraw/zinc/07/24/73/574072473.db2.gz VCLYLBDWHMLNFB-NSHDSACASA-N 0 1 267.332 2.940 20 30 CFEDMN C#CCOCCN[C@H](C)c1ccc(F)cc1Cl ZINC000753761665 574074923 /nfs/dbraw/zinc/07/49/23/574074923.db2.gz OMOWHIDRXZOAJP-SNVBAGLBSA-N 0 1 255.720 2.780 20 30 CFEDMN CO[C@@H](C)C(=O)C(C#N)c1nc2cc(F)ccc2s1 ZINC000730416322 574080459 /nfs/dbraw/zinc/08/04/59/574080459.db2.gz CLBRVQYPEBOZLC-CBAPKCEASA-N 0 1 278.308 2.647 20 30 CFEDMN COc1ccc(CNN=C2CN(C(C)C)C[C@H]2C)cc1 ZINC000754262133 574085299 /nfs/dbraw/zinc/08/52/99/574085299.db2.gz YMGDILHMUWVAKI-CYBMUJFWSA-N 0 1 275.396 2.501 20 30 CFEDMN CC(=NNCCN1CCCCC1)c1ccc(O)c(C)c1 ZINC000728226022 574087219 /nfs/dbraw/zinc/08/72/19/574087219.db2.gz DREUOWYQPAJRDE-UHFFFAOYSA-N 0 1 275.396 2.500 20 30 CFEDMN O=[N+]([O-])c1ccc(NN=Cc2cccc(F)c2F)nc1 ZINC000730728414 574093629 /nfs/dbraw/zinc/09/36/29/574093629.db2.gz VHPHDJUWMAROBZ-UHFFFAOYSA-N 0 1 278.218 2.714 20 30 CFEDMN C=CCC[N@@H+]1CCCC[C@H]1[C@H]1CCCN1C(=O)[O-] ZINC000738493663 574095851 /nfs/dbraw/zinc/09/58/51/574095851.db2.gz PCOCFOTZBDMSDO-QWHCGFSZSA-N 0 1 252.358 2.559 20 30 CFEDMN C#C[C@@H](CC)NC(=O)c1c(O)cc(Cl)cc1Cl ZINC000754389749 574102304 /nfs/dbraw/zinc/10/23/04/574102304.db2.gz JFWFFNPDMNVMOW-QMMMGPOBSA-N 0 1 272.131 2.841 20 30 CFEDMN Fc1ccc(N=NCc2ccc(F)c(F)c2)nc1 ZINC000731319737 574116770 /nfs/dbraw/zinc/11/67/70/574116770.db2.gz UAWZKCBEDWBYHF-UHFFFAOYSA-N 0 1 251.211 2.945 20 30 CFEDMN CN(C)Cc1ccc(NC(=O)C#Cc2ccccc2)cc1F ZINC000754873911 574126222 /nfs/dbraw/zinc/12/62/22/574126222.db2.gz IOBFXHHXGMAHBU-UHFFFAOYSA-N 0 1 296.345 2.878 20 30 CFEDMN Cc1cc(CN=Nc2ccc([N+](=O)[O-])cc2)c(C)n1C ZINC000754900813 574127617 /nfs/dbraw/zinc/12/76/17/574127617.db2.gz LIZIJXJTDWZPKV-UHFFFAOYSA-N 0 1 272.308 2.996 20 30 CFEDMN CS(=O)(=O)c1ccccc1N=NCc1cccc(F)c1 ZINC000731933378 574135134 /nfs/dbraw/zinc/13/51/34/574135134.db2.gz LKNAFRBTOZDYJF-UHFFFAOYSA-N 0 1 292.335 2.675 20 30 CFEDMN CC(=NNc1cc(C)ncn1)c1ccc(F)cc1F ZINC000731935743 574135826 /nfs/dbraw/zinc/13/58/26/574135826.db2.gz PIQKPSXJHYFMAY-UHFFFAOYSA-N 0 1 262.263 2.899 20 30 CFEDMN Cc1cc(NN=Cc2c[nH]nc2-c2ccc(F)cc2)ncn1 ZINC000731935187 574136007 /nfs/dbraw/zinc/13/60/07/574136007.db2.gz PZSJWZPASNTTAS-UHFFFAOYSA-N 0 1 296.309 2.760 20 30 CFEDMN CC(=NNc1nc2ccccc2[nH]1)c1cncc(F)c1 ZINC000737417583 574139665 /nfs/dbraw/zinc/13/96/65/574139665.db2.gz MPXPJNAKFXGDQZ-UHFFFAOYSA-N 0 1 269.283 2.933 20 30 CFEDMN C[N@@H+](Cc1cc(Cl)ccc1OCC#N)C(C)(C)C(=O)[O-] ZINC000737451578 574142378 /nfs/dbraw/zinc/14/23/78/574142378.db2.gz QIBXMOQRNMWMQU-UHFFFAOYSA-N 0 1 296.754 2.537 20 30 CFEDMN C[N@H+](Cc1cccs1)[C@H](C(=O)[O-])c1ccc(C#N)cc1 ZINC000737494567 574145046 /nfs/dbraw/zinc/14/50/46/574145046.db2.gz VMBLWEMUCYKJTH-AWEZNQCLSA-N 0 1 286.356 2.877 20 30 CFEDMN C[N@@H+](Cc1cccs1)[C@H](C(=O)[O-])c1ccc(C#N)cc1 ZINC000737494567 574145048 /nfs/dbraw/zinc/14/50/48/574145048.db2.gz VMBLWEMUCYKJTH-AWEZNQCLSA-N 0 1 286.356 2.877 20 30 CFEDMN CCCCCCCCNC(=O)CSc1nnc(C)[nH]1 ZINC000755215431 574147253 /nfs/dbraw/zinc/14/72/53/574147253.db2.gz HPZVSLPQZCHXEL-UHFFFAOYSA-N 0 1 284.429 2.682 20 30 CFEDMN CCCCCCCCNC(=O)CSc1nc(C)n[nH]1 ZINC000755215431 574147257 /nfs/dbraw/zinc/14/72/57/574147257.db2.gz HPZVSLPQZCHXEL-UHFFFAOYSA-N 0 1 284.429 2.682 20 30 CFEDMN C#CCN(C/C=C(\C)C(=O)OC)[C@@H]1CCc2ccccc21 ZINC000746503472 574151849 /nfs/dbraw/zinc/15/18/49/574151849.db2.gz RVDHIEDQYPONJG-GWKQRERASA-N 0 1 283.371 2.728 20 30 CFEDMN C#CCNCC(=O)N[C@@H](CC(C)(C)C)c1ccc(F)cc1 ZINC000746513081 574152629 /nfs/dbraw/zinc/15/26/29/574152629.db2.gz DHSVRBNYEWVUCQ-HNNXBMFYSA-N 0 1 290.382 2.642 20 30 CFEDMN CC(C)n1cc(C=NNc2ccccc2[N+](=O)[O-])cn1 ZINC000732711112 574166983 /nfs/dbraw/zinc/16/69/83/574166983.db2.gz ZIBPERMKPZPHFN-UHFFFAOYSA-N 0 1 273.296 2.818 20 30 CFEDMN N#CC(C(=O)Cc1ccc2c(c1)COC2)c1ccccn1 ZINC000755597950 574170957 /nfs/dbraw/zinc/17/09/57/574170957.db2.gz CVJHGWOIGDLDTQ-OAHLLOKOSA-N 0 1 278.311 2.531 20 30 CFEDMN Clc1nc(Cl)c(C=NNc2cnccn2)s1 ZINC000755634764 574173677 /nfs/dbraw/zinc/17/36/77/574173677.db2.gz RXCXSEKUOFVFBK-UHFFFAOYSA-N 0 1 274.136 2.686 20 30 CFEDMN CCCn1nc(C)c(C=NNc2cc(C)nc(C)n2)c1C ZINC000755648854 574174941 /nfs/dbraw/zinc/17/49/41/574174941.db2.gz QYILHUPUAQRFHU-UHFFFAOYSA-N 0 1 286.383 2.763 20 30 CFEDMN Clc1cccnc1N=NCc1[nH]nnc1-c1ccccc1 ZINC000755656790 574175721 /nfs/dbraw/zinc/17/57/21/574175721.db2.gz XILZJXIUCFESQQ-UHFFFAOYSA-N 0 1 298.737 2.966 20 30 CFEDMN Cc1ccc([N+](=O)[O-])cc1N=NC1CCn2cccc21 ZINC000747061209 574177930 /nfs/dbraw/zinc/17/79/30/574177930.db2.gz DNFYGYVYMVMRAN-UHFFFAOYSA-N 0 1 270.292 2.925 20 30 CFEDMN CN(C)c1ncc(C=NNCCCc2ccccc2)s1 ZINC000755695958 574178407 /nfs/dbraw/zinc/17/84/07/574178407.db2.gz GRZPPCWTJMCYIM-UHFFFAOYSA-N 0 1 288.420 2.765 20 30 CFEDMN Cc1cc(CC(=O)OCC#Cc2ccccc2Cl)n[nH]1 ZINC000747082448 574178860 /nfs/dbraw/zinc/17/88/60/574178860.db2.gz NEKSZNFEURISGQ-UHFFFAOYSA-N 0 1 288.734 2.509 20 30 CFEDMN CC(=O)Nc1ccccc1C=NNc1cc(C)ccn1 ZINC000755770901 574186274 /nfs/dbraw/zinc/18/62/74/574186274.db2.gz PNDKYXKOSVFDNC-UHFFFAOYSA-N 0 1 268.320 2.794 20 30 CFEDMN CCc1cccc2c1NC(=O)C2=N[N-]c1ccc(C)c[nH+]1 ZINC000733075891 574186419 /nfs/dbraw/zinc/18/64/19/574186419.db2.gz AHMWOKJSNQEJFN-UHFFFAOYSA-N 0 1 280.331 2.721 20 30 CFEDMN Oc1c(Cl)cccc1C=NO[C@H]1CCCCO1 ZINC000755825109 574190969 /nfs/dbraw/zinc/19/09/69/574190969.db2.gz UCSLRIYKEAIHIG-NSHDSACASA-N 0 1 255.701 2.923 20 30 CFEDMN C[C@@H](c1ccc(C#N)cc1)[N@H+]1CC[C@H](CN(C)C(=O)[O-])C1 ZINC000739054349 574194852 /nfs/dbraw/zinc/19/48/52/574194852.db2.gz QLLGCKYCUSSKOO-GXTWGEPZSA-N 0 1 287.363 2.551 20 30 CFEDMN C[C@@H]1CN(C2CC2)CC1N=Nc1cc(F)c(F)cc1F ZINC000755893853 574194993 /nfs/dbraw/zinc/19/49/93/574194993.db2.gz SFKIZRXYKZIPKV-MRVPVSSYSA-N 0 1 283.297 2.986 20 30 CFEDMN Cc1nc2ccccn2c1C=NNc1cc(C)ccn1 ZINC000755901271 574195595 /nfs/dbraw/zinc/19/55/95/574195595.db2.gz DBZMCHWFXVVHRQ-UHFFFAOYSA-N 0 1 265.320 2.792 20 30 CFEDMN Cc1ccnc(N=NCc2cnn(C(C)(C)C)c2)c1 ZINC000755904563 574196144 /nfs/dbraw/zinc/19/61/44/574196144.db2.gz YWOHFUXQRKEGCV-UHFFFAOYSA-N 0 1 257.341 2.788 20 30 CFEDMN FC(F)(F)c1cccc(N=NCc2ccncc2)n1 ZINC000739421580 574213237 /nfs/dbraw/zinc/21/32/37/574213237.db2.gz LAMWAVGJPAVSOT-UHFFFAOYSA-N 0 1 266.226 2.941 20 30 CFEDMN Cc1ccc(O)c(C=NNc2cccc(C(F)(F)F)n2)n1 ZINC000739422353 574213308 /nfs/dbraw/zinc/21/33/08/574213308.db2.gz XKBASBLMSFXQJO-UHFFFAOYSA-N 0 1 296.252 2.955 20 30 CFEDMN FC(F)(F)c1cccc(N=NCc2cccnc2)n1 ZINC000739427002 574213358 /nfs/dbraw/zinc/21/33/58/574213358.db2.gz PSONWDIKNZOGFM-UHFFFAOYSA-N 0 1 266.226 2.941 20 30 CFEDMN Cc1cc(C)cc(OCC(=O)Nc2cc(C#N)ccc2O)c1 ZINC000748002745 574224222 /nfs/dbraw/zinc/22/42/22/574224222.db2.gz NPANRENZNWQGKZ-UHFFFAOYSA-N 0 1 296.326 2.898 20 30 CFEDMN O=[N+]([O-])c1ccccc1NN=Cc1cnn2ccccc12 ZINC000729633605 574225527 /nfs/dbraw/zinc/22/55/27/574225527.db2.gz PXZVCPQQEYRYRR-UHFFFAOYSA-N 0 1 281.275 2.689 20 30 CFEDMN N#Cc1csc(CN=Nc2ccccc2[N+](=O)[O-])c1 ZINC000748074075 574227164 /nfs/dbraw/zinc/22/71/64/574227164.db2.gz CWSYOGSDCDPCEY-UHFFFAOYSA-N 0 1 272.289 2.974 20 30 CFEDMN CCN(C)c1ccc(C(C)=[NH+][N-]c2cnccn2)cc1 ZINC000748076884 574227579 /nfs/dbraw/zinc/22/75/79/574227579.db2.gz WGVPGXFSJKJEJB-UHFFFAOYSA-N 0 1 269.352 2.769 20 30 CFEDMN C#CCN1CCC[C@H]1COC(=O)C(C)(C)c1ccccc1 ZINC000729808919 574233107 /nfs/dbraw/zinc/23/31/07/574233107.db2.gz GYUTXJXTUNPQJD-INIZCTEOSA-N 0 1 285.387 2.605 20 30 CFEDMN Cc1ccc(NN=Cc2csc(C(C)(C)C)n2)nn1 ZINC000729937756 574239105 /nfs/dbraw/zinc/23/91/05/574239105.db2.gz CEUIWJYYCGMBNM-UHFFFAOYSA-N 0 1 275.381 2.985 20 30 CFEDMN CCOC(=O)c1ccc(C=NNc2ccc(C)cn2)o1 ZINC000748248536 574243059 /nfs/dbraw/zinc/24/30/59/574243059.db2.gz HWHUVNTWKAXGBI-UHFFFAOYSA-N 0 1 273.292 2.606 20 30 CFEDMN C#CCN1CCC[C@H]1COC(=O)Cc1cc2ccccc2o1 ZINC000756543368 574244900 /nfs/dbraw/zinc/24/49/00/574244900.db2.gz MMJIPDXAJUXSKG-HNNXBMFYSA-N 0 1 297.354 2.616 20 30 CFEDMN C#CCN1CCC[C@H]1COC(=O)C(C)(C)Cc1ccccc1 ZINC000756541592 574244948 /nfs/dbraw/zinc/24/49/48/574244948.db2.gz JGWANTQREXCRLP-KRWDZBQOSA-N 0 1 299.414 2.896 20 30 CFEDMN C#CCN1CCC[C@H]1COC(=O)/C=C(\C)c1ccccc1 ZINC000756544693 574245938 /nfs/dbraw/zinc/24/59/38/574245938.db2.gz VWXMVSCIEMVKMZ-VOGRQWBCSA-N 0 1 283.371 2.731 20 30 CFEDMN N#CCCCC[N@@H+]1CCCC[C@@H]1[C@H]1CCCN1C(=O)[O-] ZINC000740307187 574246071 /nfs/dbraw/zinc/24/60/71/574246071.db2.gz QAENWRHLUHWWLT-ZIAGYGMSSA-N 0 1 279.384 2.677 20 30 CFEDMN N#CCCCC[N@@H+]1CCC[C@@H]([C@H]2CCCN2C(=O)[O-])C1 ZINC000740306358 574246122 /nfs/dbraw/zinc/24/61/22/574246122.db2.gz FJRKLLWQWPMVHW-ZIAGYGMSSA-N 0 1 279.384 2.535 20 30 CFEDMN N#CCCCC[N@@H+]1CCCC[C@H]1[C@H]1CCCN1C(=O)[O-] ZINC000740307186 574246678 /nfs/dbraw/zinc/24/66/78/574246678.db2.gz QAENWRHLUHWWLT-UONOGXRCSA-N 0 1 279.384 2.677 20 30 CFEDMN C#CCN1CCC[C@H]1COC(=O)C[C@@H](C)c1ccccc1 ZINC000756556538 574246877 /nfs/dbraw/zinc/24/68/77/574246877.db2.gz VNQRNLKUMVEHCH-WBVHZDCISA-N 0 1 285.387 2.821 20 30 CFEDMN Cc1nc(C=NNc2cc(Cl)nc(C)n2)cs1 ZINC000741766111 574250478 /nfs/dbraw/zinc/25/04/78/574250478.db2.gz OOSCANHGVAJDOW-UHFFFAOYSA-N 0 1 267.745 2.649 20 30 CFEDMN N#Cc1ccc(O)c(NC(=O)[C@H]2Cc3ccccc32)c1 ZINC000748411877 574251516 /nfs/dbraw/zinc/25/15/16/574251516.db2.gz BFSQFIGTMOZDMI-ZDUSSCGKSA-N 0 1 264.284 2.542 20 30 CFEDMN COCc1ccc(CN=Nc2ccncc2Cl)cc1 ZINC000756842616 574267338 /nfs/dbraw/zinc/26/73/38/574267338.db2.gz WIAFTCABIXPZGN-UHFFFAOYSA-N 0 1 275.739 2.749 20 30 CFEDMN C#CCN(CC(=O)N(CC)Cc1ccccc1)C1CCCC1 ZINC000756910969 574272553 /nfs/dbraw/zinc/27/25/53/574272553.db2.gz IXKYUAMMQVGGEU-UHFFFAOYSA-N 0 1 298.430 2.913 20 30 CFEDMN C[C@H](OC(=O)c1[nH]nc2c1CCC2)c1ccc(C#N)cc1 ZINC000749061727 574278457 /nfs/dbraw/zinc/27/84/57/574278457.db2.gz BCAFBVJWFKIAKN-JTQLQIEISA-N 0 1 281.315 2.688 20 30 CFEDMN C=CCN(C(=O)NCc1n[nH]c(-c2ccccc2)n1)C(C)C ZINC000741416112 574289318 /nfs/dbraw/zinc/28/93/18/574289318.db2.gz FTNZTIHLKMNVJO-UHFFFAOYSA-N 0 1 299.378 2.578 20 30 CFEDMN C=CCN(C(=O)NCc1nc(-c2ccccc2)n[nH]1)C(C)C ZINC000741416112 574289319 /nfs/dbraw/zinc/28/93/19/574289319.db2.gz FTNZTIHLKMNVJO-UHFFFAOYSA-N 0 1 299.378 2.578 20 30 CFEDMN Cc1cc(O)c(C=NNc2ccc(F)cn2)cc1C ZINC000741764521 574301339 /nfs/dbraw/zinc/30/13/39/574301339.db2.gz NCMNXSGVTQQKDU-UHFFFAOYSA-N 0 1 259.284 2.989 20 30 CFEDMN Cc1cc(N=NC2CCc3c2c(F)ccc3F)ncn1 ZINC000749608079 574302047 /nfs/dbraw/zinc/30/20/47/574302047.db2.gz HIDFZTRSWJQQMS-UHFFFAOYSA-N 0 1 274.274 2.826 20 30 CFEDMN CC#CCN1CCCC[C@H]1[C@H](C)NC(=O)OC(C)(C)C ZINC000741777857 574302713 /nfs/dbraw/zinc/30/27/13/574302713.db2.gz MLRNOAJZVPTCJR-KBPBESRZSA-N 0 1 280.412 2.777 20 30 CFEDMN CC(Cc1ccccc1C)=NNCCN1CCCCC1 ZINC000743438692 574305865 /nfs/dbraw/zinc/30/58/65/574305865.db2.gz OYBNKYBIMIUFQL-UHFFFAOYSA-N 0 1 273.424 2.989 20 30 CFEDMN C[N@@H+](CC(=O)[O-])Cc1ccc(-c2ccccc2C#N)cc1 ZINC000737988282 574308392 /nfs/dbraw/zinc/30/83/92/574308392.db2.gz GHCKSNOKKFNRMC-UHFFFAOYSA-N 0 1 280.327 2.742 20 30 CFEDMN N#Cc1ccc(NN=Cc2cc(F)c(O)c(F)c2)cc1 ZINC000749858466 574312849 /nfs/dbraw/zinc/31/28/49/574312849.db2.gz KTKUAMDTPXHHNW-UHFFFAOYSA-N 0 1 273.242 2.988 20 30 CFEDMN Cc1cc(NN=Cc2occc2Br)nc(C)n1 ZINC000735226929 574316019 /nfs/dbraw/zinc/31/60/19/574316019.db2.gz GIZLUVSNYNDEFS-UHFFFAOYSA-N 0 1 295.140 2.895 20 30 CFEDMN C=CCCC[N@H+](C)[C@@H](C)c1ccc(-c2nn[nH]n2)cc1 ZINC000735412740 574322956 /nfs/dbraw/zinc/32/29/56/574322956.db2.gz JZBQEVKOWDOZJC-LBPRGKRZSA-N 0 1 271.368 2.826 20 30 CFEDMN C=CCCC[N@H+](C)Cn1ncc2cc(C(=O)[O-])ccc21 ZINC000736102130 574349876 /nfs/dbraw/zinc/34/98/76/574349876.db2.gz AXNRQLQKVKGMNR-UHFFFAOYSA-N 0 1 273.336 2.590 20 30 CFEDMN C[C@H](C(=O)C(C#N)c1nc2ccccc2o1)c1cnn(C)c1 ZINC000750689283 574350995 /nfs/dbraw/zinc/35/09/95/574350995.db2.gz HRFVXBAQCSVOPK-CMPLNLGQSA-N 0 1 294.314 2.541 20 30 CFEDMN Cc1ccc(NN=Cc2cc(-c3cccnc3)[nH]n2)nc1 ZINC000743437629 574364621 /nfs/dbraw/zinc/36/46/21/574364621.db2.gz FMNSHMFDDTXMFC-UHFFFAOYSA-N 0 1 278.319 2.621 20 30 CFEDMN CO[C@@H](CN[C@H](C)c1ccc(C#N)cc1)C(F)(F)F ZINC000743477356 574366217 /nfs/dbraw/zinc/36/62/17/574366217.db2.gz QSCLTJQKIOCVBX-SKDRFNHKSA-N 0 1 272.270 2.786 20 30 CFEDMN Cc1cc(N=NC2CN(Cc3ccccc3)C[C@H]2C)ncn1 ZINC000751528273 574378432 /nfs/dbraw/zinc/37/84/32/574378432.db2.gz CLZXIMSABJDQGA-CYBMUJFWSA-N 0 1 295.390 2.705 20 30 CFEDMN CN1CCc2cc(C=NNCCc3ccccc3F)ccc21 ZINC000752735183 574394211 /nfs/dbraw/zinc/39/42/11/574394211.db2.gz RQIZWTYVUOZWNP-UHFFFAOYSA-N 0 1 297.377 2.984 20 30 CFEDMN O=c1c2ccccc2ncn1N=Cc1cccc(Cl)c1O ZINC000753160610 574399562 /nfs/dbraw/zinc/39/95/62/574399562.db2.gz FBNOZNXKDKHNFU-UHFFFAOYSA-N 0 1 299.717 2.638 20 30 CFEDMN CN(C)c1nccc(N=NCc2cc(Cl)ccc2F)n1 ZINC000753706871 574408373 /nfs/dbraw/zinc/40/83/73/574408373.db2.gz DDWFDURHHBQIJE-UHFFFAOYSA-N 0 1 293.733 2.781 20 30 CFEDMN C=C[C@@H](CC)CC(=O)N[C@H](Cc1nc[nH]n1)c1ccccc1 ZINC000935481007 649911804 /nfs/dbraw/zinc/91/18/04/649911804.db2.gz VLHNKISAIPXJAG-DZGCQCFKSA-N 0 1 298.390 2.807 20 30 CFEDMN N#CCCCC[N@H+](CCC(=O)[O-])Cc1ccccc1 ZINC000692462011 599848978 /nfs/dbraw/zinc/84/89/78/599848978.db2.gz QTVYLIIMEHKVEM-UHFFFAOYSA-N 0 1 260.337 2.657 20 30 CFEDMN N#Cc1cc(F)ccc1C[N@@H+](CC(=O)[O-])Cc1ccccc1 ZINC000692497119 599961981 /nfs/dbraw/zinc/96/19/81/599961981.db2.gz VTUMPMHYGXLAPL-UHFFFAOYSA-N 0 1 298.317 2.784 20 30 CFEDMN CCCCCCC[N@@H+](CC(=O)[O-])C1CCOCC1 ZINC000829357305 601044497 /nfs/dbraw/zinc/04/44/97/601044497.db2.gz NABNXDWOCVOXIC-UHFFFAOYSA-N 0 1 257.374 2.522 20 30 CFEDMN CC[N@@H+](C/C=C(/C)C(=O)[O-])[C@H](C)c1ccc(C#N)cc1 ZINC000829692642 601052100 /nfs/dbraw/zinc/05/21/00/601052100.db2.gz MQBGNNUTTFTZCM-KIWPFMIBSA-N 0 1 272.348 2.972 20 30 CFEDMN CC(C)(C#N)CCC[N@H+]1CCCC[C@@H]1CC(=O)[O-] ZINC000087599987 601113065 /nfs/dbraw/zinc/11/30/65/601113065.db2.gz UNTSOSLUCLLZAU-GFCCVEGCSA-N 0 1 252.358 2.646 20 30 CFEDMN CC1(C)CCCN(C(=O)c2cccc(F)c2O)[C@H]1C#N ZINC000935662734 649927296 /nfs/dbraw/zinc/92/72/96/649927296.db2.gz JFQVWZBZBACWKN-LBPRGKRZSA-N 0 1 276.311 2.686 20 30 CFEDMN C[C@@H](c1ccc(C#N)cc1)[N@H+]1CCSC[C@@H]1CC(=O)[O-] ZINC000091133198 601919938 /nfs/dbraw/zinc/91/99/38/601919938.db2.gz SQFYXHJWFPZAFZ-FZMZJTMJSA-N 0 1 290.388 2.511 20 30 CFEDMN C=CCOc1ccc(C[N@H+](CC(=O)[O-])C(C)(C)C)cc1 ZINC000825698867 602324589 /nfs/dbraw/zinc/32/45/89/602324589.db2.gz OFZARVYIDIWVNK-UHFFFAOYSA-N 0 1 277.364 2.937 20 30 CFEDMN C[C@H](c1ccc(C#N)cc1)[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)[O-] ZINC000825624832 603977256 /nfs/dbraw/zinc/97/72/56/603977256.db2.gz ZITYEMCCUKDXNO-WQVCFCJDSA-N 0 1 299.374 2.836 20 30 CFEDMN C[C@@H]1CC[C@H](C)[N@@H+]1Cc1cccc(C(=O)[O-])c1C#N ZINC000833602379 604614141 /nfs/dbraw/zinc/61/41/41/604614141.db2.gz IKKCXFAAHPIPKR-PHIMTYICSA-N 0 1 258.321 2.629 20 30 CFEDMN C=CCOc1cccc(C[N@@H+]2CCC[C@H]2CC(=O)[O-])c1 ZINC000833378245 604660484 /nfs/dbraw/zinc/66/04/84/604660484.db2.gz BWMFKUNBAKLWCG-AWEZNQCLSA-N 0 1 275.348 2.691 20 30 CFEDMN C[C@H](C[N@@H+](C)Cc1ccccc1C(C)(C)C#N)C(=O)[O-] ZINC000827443014 604672174 /nfs/dbraw/zinc/67/21/74/604672174.db2.gz VRZXLQTVBHWGRQ-GFCCVEGCSA-N 0 1 274.364 2.640 20 30 CFEDMN C[C@@H](C[N@@H+](C)Cc1ccccc1C(C)(C)C#N)C(=O)[O-] ZINC000827443017 604672283 /nfs/dbraw/zinc/67/22/83/604672283.db2.gz VRZXLQTVBHWGRQ-LBPRGKRZSA-N 0 1 274.364 2.640 20 30 CFEDMN CC(C)(C#N)c1ccccc1C[N@H+]1CC[C@@](C)(C(=O)[O-])C1 ZINC000828028962 604675047 /nfs/dbraw/zinc/67/50/47/604675047.db2.gz KBGOJRGJOKYRRG-QGZVFWFLSA-N 0 1 286.375 2.784 20 30 CFEDMN C=C(Br)C[N@@H+]1[C@@H]2CCCC[C@@H]2C[C@H]1C(=O)[O-] ZINC000250516416 604963278 /nfs/dbraw/zinc/96/32/78/604963278.db2.gz HDJHFWWLSOYLBJ-MXWKQRLJSA-N 0 1 288.185 2.613 20 30 CFEDMN C=CC[N@H+](Cc1ccc(C(=O)[O-])[nH]1)Cc1ccccc1 ZINC000833376459 605103185 /nfs/dbraw/zinc/10/31/85/605103185.db2.gz VLIQCTPNWZPHJJ-UHFFFAOYSA-N 0 1 270.332 2.901 20 30 CFEDMN C=CC[N@@H+](Cc1ccc(C(=O)[O-])[nH]1)Cc1cccc(C#N)c1 ZINC000833375591 605103417 /nfs/dbraw/zinc/10/34/17/605103417.db2.gz AMAASIVJPFQART-UHFFFAOYSA-N 0 1 295.342 2.773 20 30 CFEDMN C=CC[N@H+](Cc1ccc(C(=O)[O-])[nH]1)Cc1cccc(C#N)c1 ZINC000833375591 605103418 /nfs/dbraw/zinc/10/34/18/605103418.db2.gz AMAASIVJPFQART-UHFFFAOYSA-N 0 1 295.342 2.773 20 30 CFEDMN C#CCC[N@H+](C)[C@@H](C(=O)[O-])c1cccc(Br)c1 ZINC000833362141 605211165 /nfs/dbraw/zinc/21/11/65/605211165.db2.gz ASRWVDZJVCKZKQ-GFCCVEGCSA-N 0 1 296.164 2.530 20 30 CFEDMN C#CC[N@H+](CCOc1ccccc1C(=O)[O-])C1CCCC1 ZINC000833363917 605213176 /nfs/dbraw/zinc/21/31/76/605213176.db2.gz AMYAUQBSGROYRV-UHFFFAOYSA-N 0 1 287.359 2.641 20 30 CFEDMN C[N@H+](Cc1ccc(NC(=O)[O-])nc1)Cc1cccc(C#N)c1 ZINC000833874433 605480200 /nfs/dbraw/zinc/48/02/00/605480200.db2.gz MRAUPZKADMCYBS-UHFFFAOYSA-N 0 1 296.330 2.675 20 30 CFEDMN C[N@@H+](Cc1ccc(NC(=O)[O-])nc1)Cc1cccc(C#N)c1 ZINC000833874433 605480204 /nfs/dbraw/zinc/48/02/04/605480204.db2.gz MRAUPZKADMCYBS-UHFFFAOYSA-N 0 1 296.330 2.675 20 30 CFEDMN C=C(C)C[N@H+](C)Cc1ccc(O[C@H](C)C(=O)[O-])cc1 ZINC000833368883 605490344 /nfs/dbraw/zinc/49/03/44/605490344.db2.gz WPHQALMSJFDITD-GFCCVEGCSA-N 0 1 263.337 2.546 20 30 CFEDMN C=CC[N@H+](CCc1ccco1)C[C@H]1CCCN(C(=O)[O-])C1 ZINC000833788072 605561655 /nfs/dbraw/zinc/56/16/55/605561655.db2.gz MMGUJKISIRXYHF-CQSZACIVSA-N 0 1 292.379 2.700 20 30 CFEDMN CC[C@H](C(=O)OCC(C)(C)CCC#N)N(CC)CC ZINC000798878382 630252631 /nfs/dbraw/zinc/25/26/31/630252631.db2.gz WXQKHMQLKWKLTP-CYBMUJFWSA-N 0 1 268.401 2.980 20 30 CFEDMN C=CCN1CCC[C@H](NC(=O)C2CC(C(C)(C)C)C2)C1 ZINC001009703566 651164093 /nfs/dbraw/zinc/16/40/93/651164093.db2.gz RHIKMTHAEYMIRF-NRXISQOPSA-N 0 1 278.440 2.825 20 30 CFEDMN C#CCCN1CCCN(C(=O)c2cscc2Cl)CC1 ZINC000981401742 613006734 /nfs/dbraw/zinc/00/67/34/613006734.db2.gz YLVRNMRUPLNICC-UHFFFAOYSA-N 0 1 296.823 2.573 20 30 CFEDMN C#CCN(C)[C@H]1CCN(C(=O)c2cccc3ccccc32)C1 ZINC000980313601 613095163 /nfs/dbraw/zinc/09/51/63/613095163.db2.gz SVTRWONRGDDSRN-INIZCTEOSA-N 0 1 292.382 2.619 20 30 CFEDMN C#CCN1CCCCC[C@@H]1CNC(=O)[C@]12C[C@H]1CCCC2 ZINC000969019819 613146076 /nfs/dbraw/zinc/14/60/76/613146076.db2.gz GYTJJGLPEVEBJG-JFIYKMOQSA-N 0 1 288.435 2.561 20 30 CFEDMN C#CCN1CCCCC[C@H]1CNC(=O)C1C(C)(C)C1(C)C ZINC000968803962 613148451 /nfs/dbraw/zinc/14/84/51/613148451.db2.gz MSIAJNDTRSHUAU-AWEZNQCLSA-N 0 1 290.451 2.663 20 30 CFEDMN C#CCN1CCCCC[C@H]1CNC(=O)c1ccc(CC)cc1 ZINC000969135651 613149499 /nfs/dbraw/zinc/14/94/99/613149499.db2.gz DFIQASLHHHPRAB-SFHVURJKSA-N 0 1 298.430 2.857 20 30 CFEDMN C#CCN1CC[C@@H](NC(=O)C2CCCCCC2)C(C)(C)C1 ZINC000940620089 613225144 /nfs/dbraw/zinc/22/51/44/613225144.db2.gz DULSBCBLNHFESC-MRXNPFEDSA-N 0 1 290.451 2.807 20 30 CFEDMN C#CCN1CC[C@@H](NC(=O)c2ccc(C)s2)C(C)(C)C1 ZINC000940539463 613235004 /nfs/dbraw/zinc/23/50/04/613235004.db2.gz USWQMDLZLUGCGC-CQSZACIVSA-N 0 1 290.432 2.520 20 30 CFEDMN C#CCN1CC[C@@H](NC(=O)c2cscc2Cl)C[C@@H]1C ZINC000947427256 613243506 /nfs/dbraw/zinc/24/35/06/613243506.db2.gz YXZDQWATSSCAKH-WDEREUQCSA-N 0 1 296.823 2.617 20 30 CFEDMN C#CCN1CC[C@@H](NC(=O)c2sccc2Cl)C[C@@H]1C ZINC000947327836 613245219 /nfs/dbraw/zinc/24/52/19/613245219.db2.gz JUJHKGDXBCGPQU-WDEREUQCSA-N 0 1 296.823 2.617 20 30 CFEDMN C=C(C)CCN1CC(N(CC)C(=O)[C@@H]2CCC2(C)C)C1 ZINC000951205894 613245286 /nfs/dbraw/zinc/24/52/86/613245286.db2.gz QAOHMMCUSQDFJI-HNNXBMFYSA-N 0 1 278.440 2.922 20 30 CFEDMN C=C(C)CCN1CCN(C(=O)[C@@H](C)c2ccc(C)o2)CC1 ZINC000951553244 613258531 /nfs/dbraw/zinc/25/85/31/613258531.db2.gz OYNJUMNAUUAEOD-HNNXBMFYSA-N 0 1 290.407 2.802 20 30 CFEDMN C#CCN1CC[C@H](NC(=O)C[C@H]2C=CCCC2)C(C)(C)C1 ZINC000940837734 613259533 /nfs/dbraw/zinc/25/95/33/613259533.db2.gz ZGSOWUVAOVPGFC-HOTGVXAUSA-N 0 1 288.435 2.583 20 30 CFEDMN C=C(C)CCN1CCN(C(=O)[C@@H]2C[C@H]2c2ccccc2)CC1 ZINC000957391320 613259784 /nfs/dbraw/zinc/25/97/84/613259784.db2.gz YPVJFWLYQYHZNY-ZWKOTPCHSA-N 0 1 298.430 2.901 20 30 CFEDMN C=C(C)CCN1CCN(C(=O)[C@H]2C[C@H]2C2CCCC2)CC1 ZINC000956970617 613260429 /nfs/dbraw/zinc/26/04/29/613260429.db2.gz JAXCBHKQKZDMPV-IRXDYDNUSA-N 0 1 290.451 2.923 20 30 CFEDMN C=C(C)CCN1CCN(C(=O)[C@H]2CCC2(C)C)CC1 ZINC000949763149 613260636 /nfs/dbraw/zinc/26/06/36/613260636.db2.gz QVBLKBPYSHGPPT-CQSZACIVSA-N 0 1 264.413 2.533 20 30 CFEDMN C=C(C)CCN1CCN(C(=O)c2c[nH]cc2C2CC2)CC1 ZINC000956967486 613261141 /nfs/dbraw/zinc/26/11/41/613261141.db2.gz PDLLYZGKNQEXEM-UHFFFAOYSA-N 0 1 287.407 2.616 20 30 CFEDMN C=C(C)CCN1CCN(C(=O)c2c(C)oc(C)c2C)CC1 ZINC000949185583 613261391 /nfs/dbraw/zinc/26/13/91/613261391.db2.gz NOZVPHOAVKJDLN-UHFFFAOYSA-N 0 1 290.407 2.929 20 30 CFEDMN C=C(C)CCN1CCN(C(=O)c2cccc3cc[nH]c32)CC1 ZINC000950644615 613261724 /nfs/dbraw/zinc/26/17/24/613261724.db2.gz KCTJZXOKCZRGAI-UHFFFAOYSA-N 0 1 297.402 2.892 20 30 CFEDMN C#CCN1CC[C@H](NC(=O)[C@]2(C)CC=CCC2)C(C)(C)C1 ZINC000940763514 613263242 /nfs/dbraw/zinc/26/32/42/613263242.db2.gz GKSPAYKCPICOEM-MAUKXSAKSA-N 0 1 288.435 2.583 20 30 CFEDMN C#CCN1C[C@@H](NC(=O)[C@H]2CC[C@H](CC)CC2)C(C)(C)C1 ZINC000977506874 613281558 /nfs/dbraw/zinc/28/15/58/613281558.db2.gz WFTPYKGUIOXXQQ-BZUAXINKSA-N 0 1 290.451 2.663 20 30 CFEDMN C=C(C)CN1CCCN(C(=O)[C@@H]2C[C@@H]2C2CCCC2)CC1 ZINC000983227597 613310097 /nfs/dbraw/zinc/31/00/97/613310097.db2.gz WUXFJEBVVCZHNM-IAGOWNOFSA-N 0 1 290.451 2.923 20 30 CFEDMN C=C(C)CN1CC[C@H](C)[C@H](NC(=O)c2ccccc2F)C1 ZINC000964683949 613334096 /nfs/dbraw/zinc/33/40/96/613334096.db2.gz LBZPZIQZQFUVPJ-XJKSGUPXSA-N 0 1 290.382 2.842 20 30 CFEDMN C=C(C)CN1C[C@@H](NC(=O)c2cocc2C)C(C)(C)C1 ZINC000974914005 613338729 /nfs/dbraw/zinc/33/87/29/613338729.db2.gz PJJCKYWZAZOKAN-CQSZACIVSA-N 0 1 276.380 2.604 20 30 CFEDMN C=C(C)CN1C[C@H](NC(=O)c2ccccc2F)C(C)(C)C1 ZINC000972758551 613342024 /nfs/dbraw/zinc/34/20/24/613342024.db2.gz SUTWIJIPJGMTRW-HNNXBMFYSA-N 0 1 290.382 2.842 20 30 CFEDMN C=C(Cl)CN1CCC[C@@H](N(C)C(=O)CC2CC2)CC1 ZINC000948136423 613374162 /nfs/dbraw/zinc/37/41/62/613374162.db2.gz OVWPQUUKUOEWSF-CQSZACIVSA-N 0 1 284.831 2.852 20 30 CFEDMN C=C(Cl)CN[C@@H]1CCN(C(=O)C=C2CCCCC2)C1 ZINC000967449918 613384604 /nfs/dbraw/zinc/38/46/04/613384604.db2.gz IFXOFABRMQLKEH-CQSZACIVSA-N 0 1 282.815 2.820 20 30 CFEDMN C=C(Cl)CN[C@@H]1CCN(C(=O)[C@@H]2C[C@H]2C(C)(C)C)C1 ZINC000969303162 613385126 /nfs/dbraw/zinc/38/51/26/613385126.db2.gz PYPLACQFJYKGRJ-JHJVBQTASA-N 0 1 284.831 2.612 20 30 CFEDMN C=C(Cl)CN[C@@H]1CCN(C(=O)[C@H]2CCCC23CC3)C1 ZINC000969080475 613385156 /nfs/dbraw/zinc/38/51/56/613385156.db2.gz VBKXKDRIJGEKMQ-CHWSQXEVSA-N 0 1 282.815 2.510 20 30 CFEDMN C=C(Cl)CN[C@@H]1CCN(C(=O)c2ccc(CF)cc2)C1 ZINC000970828672 613385713 /nfs/dbraw/zinc/38/57/13/613385713.db2.gz BVERQVAELLOSFE-CQSZACIVSA-N 0 1 296.773 2.713 20 30 CFEDMN C=C(Cl)CN[C@@H]1CN(C(=O)C2CCC(=C)CC2)C[C@@H]1C ZINC000939049439 613386245 /nfs/dbraw/zinc/38/62/45/613386245.db2.gz LHGHDPSDOGSDIB-SWLSCSKDSA-N 0 1 296.842 2.922 20 30 CFEDMN C=C(Cl)CN[C@@H]1CN(C(=O)c2ccc(C)cc2)C[C@@H]1C ZINC000939602744 613386505 /nfs/dbraw/zinc/38/65/05/613386505.db2.gz PEJRRRPJNAALIV-SWLSCSKDSA-N 0 1 292.810 2.798 20 30 CFEDMN C=C(Cl)CN[C@H]1CN(C(=O)C2(C(C)C)CC2)C[C@@H]1C ZINC000939091066 613386879 /nfs/dbraw/zinc/38/68/79/613386879.db2.gz FBPFAQLJVOXZON-AAEUAGOBSA-N 0 1 284.831 2.612 20 30 CFEDMN C=C(Cl)CN[C@H]1CN(C(=O)C2(C)CC(=C)C2)C[C@H]1C ZINC000939101754 613386938 /nfs/dbraw/zinc/38/69/38/613386938.db2.gz AMWIUHJWNWTWGT-YPMHNXCESA-N 0 1 282.815 2.532 20 30 CFEDMN C=C(Cl)CN[C@H]1CN(C(=O)c2csc(C)c2)C[C@@H]1C ZINC000939308611 613386986 /nfs/dbraw/zinc/38/69/86/613386986.db2.gz QNKSCEGTLRKHGQ-ZANVPECISA-N 0 1 298.839 2.859 20 30 CFEDMN C=C1CC(C)(C(=O)N[C@@H]2CCN(C/C=C\Cl)C[C@@H]2C)C1 ZINC000942608626 613396814 /nfs/dbraw/zinc/39/68/14/613396814.db2.gz XUXFLAAWWZPKAU-PSVOHZHUSA-N 0 1 296.842 2.922 20 30 CFEDMN C=C1CCC(C(=O)N[C@@H]2CCN(CCF)C[C@@H]2C)CC1 ZINC000942600170 613410628 /nfs/dbraw/zinc/41/06/28/613410628.db2.gz LWNMNSPOHLXYOR-DZGCQCFKSA-N 0 1 282.403 2.529 20 30 CFEDMN C=CC(C)(C)C(=O)N1CC[C@@H](NCc2ccccc2F)C1 ZINC000969577255 613435860 /nfs/dbraw/zinc/43/58/60/613435860.db2.gz XRWYVEYOGNVPEG-CQSZACIVSA-N 0 1 290.382 2.728 20 30 CFEDMN C=CCCN1CCN(C(=O)C23CC(C(C)(C)C)(C2)C3)CC1 ZINC000957849734 613502239 /nfs/dbraw/zinc/50/22/39/613502239.db2.gz SBBRSRPDXOYCOR-UHFFFAOYSA-N 0 1 290.451 2.923 20 30 CFEDMN C=CCCN1CCN(C(=O)C[C@@H]2CC[C@@H](C)C2)CC1 ZINC000949737280 613503941 /nfs/dbraw/zinc/50/39/41/613503941.db2.gz BIWVNGQLANSSPG-HUUCEWRRSA-N 0 1 264.413 2.533 20 30 CFEDMN C=CCCN1CCN(C(=O)[C@@H](C)c2cccs2)CC1 ZINC000950451933 613505536 /nfs/dbraw/zinc/50/55/36/613505536.db2.gz JQBOTERMNPWYPK-ZDUSSCGKSA-N 0 1 278.421 2.572 20 30 CFEDMN C=CCCN1CCN(C(=O)[C@@H]2C[C@]2(CC)C(C)C)CC1 ZINC000956971144 613506630 /nfs/dbraw/zinc/50/66/30/613506630.db2.gz UKOICMLTSKINFC-DOTOQJQBSA-N 0 1 278.440 2.779 20 30 CFEDMN C=CCCN1CCN(C(=O)[C@@H]2C[C@]2(C)c2ccccc2)CC1 ZINC000949386587 613506919 /nfs/dbraw/zinc/50/69/19/613506919.db2.gz BYFGQDGEKFGBFH-PKOBYXMFSA-N 0 1 298.430 2.685 20 30 CFEDMN C=CCCN1CCN(C(=O)[C@H]2[C@H](C=C(C)C)C2(C)C)CC1 ZINC000949198245 613508912 /nfs/dbraw/zinc/50/89/12/613508912.db2.gz BKOQUJSLHMTVHQ-JKSUJKDBSA-N 0 1 290.451 2.945 20 30 CFEDMN C=CCCN1CCN(C(=O)c2cc(C)c(F)c(C)c2)CC1 ZINC000957691158 613509790 /nfs/dbraw/zinc/50/97/90/613509790.db2.gz DKFQAVFPQWPTTO-UHFFFAOYSA-N 0 1 290.382 2.776 20 30 CFEDMN C=CCCN1CCN(C(=O)c2ccc(Cl)cc2C)CC1 ZINC000950000635 613510357 /nfs/dbraw/zinc/51/03/57/613510357.db2.gz QISRDBOXMZGYCO-UHFFFAOYSA-N 0 1 292.810 2.982 20 30 CFEDMN C=CCCN1CCN(C(=O)c2ccc3c(c2)CCC3)CC1 ZINC000957610185 613511141 /nfs/dbraw/zinc/51/11/41/613511141.db2.gz LXHSSKBJROWVQQ-UHFFFAOYSA-N 0 1 284.403 2.509 20 30 CFEDMN C=CCCN1CCN(C(=O)c2cn(C)c3ccccc23)CC1 ZINC000949152483 613511599 /nfs/dbraw/zinc/51/15/99/613511599.db2.gz UAPRQTKGRYMQFQ-UHFFFAOYSA-N 0 1 297.402 2.512 20 30 CFEDMN CC#CCN1CCCC2(CN(C(=O)C(C)(CC)CC)C2)C1 ZINC000982157146 613540841 /nfs/dbraw/zinc/54/08/41/613540841.db2.gz FRKFZXTZOXEYKT-UHFFFAOYSA-N 0 1 290.451 2.760 20 30 CFEDMN CC#CCN1CC[C@H](C)[C@H](NC(=O)C2CCCCCC2)C1 ZINC000965479699 613592965 /nfs/dbraw/zinc/59/29/65/613592965.db2.gz WDUPWFODWGYNBL-DOTOQJQBSA-N 0 1 290.451 2.807 20 30 CFEDMN CC#CCN1C[C@@H](NC(=O)C2=CCCCCC2)C(C)(C)C1 ZINC000974505745 613608377 /nfs/dbraw/zinc/60/83/77/613608377.db2.gz IOOBCBPYRDCMHG-MRXNPFEDSA-N 0 1 288.435 2.727 20 30 CFEDMN CC#CCN1C[C@H](NC(=O)CC2CC(C)(C)C2)C(C)(C)C1 ZINC000974956993 613620070 /nfs/dbraw/zinc/62/00/70/613620070.db2.gz JENQJYKYWCYLIH-HNNXBMFYSA-N 0 1 290.451 2.663 20 30 CFEDMN CC#CCN1C[C@H](NC(=O)[C@@H]2C[C@H]2C(C)(C)C)C(C)(C)C1 ZINC000974807839 613622581 /nfs/dbraw/zinc/62/25/81/613622581.db2.gz NGGXLPAONRQOEG-KFWWJZLASA-N 0 1 290.451 2.519 20 30 CFEDMN C=CCN1CC([C@@H](C)NC(=O)c2cc(F)c(C)cc2F)C1 ZINC000969899746 613664853 /nfs/dbraw/zinc/66/48/53/613664853.db2.gz IRRFWESWVLFIDC-LLVKDONJSA-N 0 1 294.345 2.509 20 30 CFEDMN C=CCN1CC([C@@H](C)NC(=O)c2cccc(C)c2Cl)C1 ZINC000970610936 613665765 /nfs/dbraw/zinc/66/57/65/613665765.db2.gz VNLOMELKTTZCAE-GFCCVEGCSA-N 0 1 292.810 2.885 20 30 CFEDMN C=CCN1CC([C@H](C)NC(=O)c2c(C)cccc2Cl)C1 ZINC000970374764 613670208 /nfs/dbraw/zinc/67/02/08/613670208.db2.gz WAPZOJKPNXRVMA-LBPRGKRZSA-N 0 1 292.810 2.885 20 30 CFEDMN C=CCN1CC([C@H](C)NC(=O)c2cc3cccc(C)c3o2)C1 ZINC000970928136 613671154 /nfs/dbraw/zinc/67/11/54/613671154.db2.gz JONKZODOQHSJBH-ZDUSSCGKSA-N 0 1 298.386 2.977 20 30 CFEDMN C=CCN1CC([C@H](C)NC(=O)c2cc(F)c(C)cc2F)C1 ZINC000969899748 613671251 /nfs/dbraw/zinc/67/12/51/613671251.db2.gz IRRFWESWVLFIDC-NSHDSACASA-N 0 1 294.345 2.509 20 30 CFEDMN C=CCN1CC([C@H](C)NC(=O)c2ccc(Cl)c(F)c2)C1 ZINC000970483711 613671474 /nfs/dbraw/zinc/67/14/74/613671474.db2.gz VHUMUGAFGIYIQV-JTQLQIEISA-N 0 1 296.773 2.715 20 30 CFEDMN C=CCN1CC([C@H](C)NC(=O)c2ccc(C3CC3)cc2)C1 ZINC000970904613 613671480 /nfs/dbraw/zinc/67/14/80/613671480.db2.gz QUQUBEWGXRMEJY-ZDUSSCGKSA-N 0 1 284.403 2.800 20 30 CFEDMN C=CCN1CC([C@H](C)NC(=O)c2ccc(Cl)c(C)c2)C1 ZINC000970365867 613671519 /nfs/dbraw/zinc/67/15/19/613671519.db2.gz HBYPXXHJNVRULL-LBPRGKRZSA-N 0 1 292.810 2.885 20 30 CFEDMN C=CCN1CCCN(C(=O)Cc2c(C)cccc2C)CC1 ZINC000981258519 613690290 /nfs/dbraw/zinc/69/02/90/613690290.db2.gz OSTCJZSXPAEBOW-UHFFFAOYSA-N 0 1 286.419 2.566 20 30 CFEDMN C=CCN1CCCN(C(=O)[C@H]2CCCC2(C)C)CC1 ZINC000981784694 613693300 /nfs/dbraw/zinc/69/33/00/613693300.db2.gz VHSKJVZOHXXWHS-CQSZACIVSA-N 0 1 264.413 2.533 20 30 CFEDMN C=CCN1CCCN(C(=O)[C@@H]2CC[C@@H]3C[C@@H]3CC2)CC1 ZINC000981667370 613694555 /nfs/dbraw/zinc/69/45/55/613694555.db2.gz QGFYJGLECFDPCU-PHZGNYQRSA-N 0 1 276.424 2.533 20 30 CFEDMN C=CCN1CC[C@@H](C)[C@@H](NC(=O)c2c[nH]c3ccccc23)C1 ZINC000967275123 613729276 /nfs/dbraw/zinc/72/92/76/613729276.db2.gz UPOHHXMZLYJKAP-DYVFJYSZSA-N 0 1 297.402 2.794 20 30 CFEDMN C=CCN1CC[C@@H](C)[C@@H](NC(=O)c2cc(C)ccc2F)C1 ZINC000968358183 613729352 /nfs/dbraw/zinc/72/93/52/613729352.db2.gz YYJPVMIPTKPROQ-CJNGLKHVSA-N 0 1 290.382 2.760 20 30 CFEDMN C=CCN1CC[C@@H](C)[C@@H](NC(=O)c2cccn2C(C)C)C1 ZINC000968660730 613730849 /nfs/dbraw/zinc/73/08/49/613730849.db2.gz NGTCCILRMMMDJQ-CABCVRRESA-N 0 1 289.423 2.695 20 30 CFEDMN C=CCN1CC[C@@H](C)[C@H](NC(=O)C2(c3ccccc3)CC2)C1 ZINC000968615130 613732135 /nfs/dbraw/zinc/73/21/35/613732135.db2.gz SESSBROINCELIG-NVXWUHKLSA-N 0 1 298.430 2.731 20 30 CFEDMN C=CCN1CC[C@@H](C)[C@H](NC(=O)C2(C3CC3)CCC2)C1 ZINC000967467459 613732320 /nfs/dbraw/zinc/73/23/20/613732320.db2.gz OKLCRNXSAVAGCG-UKRRQHHQSA-N 0 1 276.424 2.579 20 30 CFEDMN C=CCN1CC[C@@H](C)[C@H](NC(=O)c2cc(C)cc(F)c2)C1 ZINC000968349292 613733312 /nfs/dbraw/zinc/73/33/12/613733312.db2.gz HPDZTHOXTLKUSW-CZUORRHYSA-N 0 1 290.382 2.760 20 30 CFEDMN C=CCN1CC[C@@H](C)[C@H](NC(=O)c2ccc(F)cc2C)C1 ZINC000968569069 613734157 /nfs/dbraw/zinc/73/41/57/613734157.db2.gz HDVWNXQBANQDAI-MLGOLLRUSA-N 0 1 290.382 2.760 20 30 CFEDMN C=CCN1CC[C@@H](C)[C@H](NC(=O)c2cc[nH]c2C2CC2)C1 ZINC000968055240 613734784 /nfs/dbraw/zinc/73/47/84/613734784.db2.gz HWZCUBCYJCMACA-IUODEOHRSA-N 0 1 287.407 2.518 20 30 CFEDMN C=CCN1CC[C@@H](C)[C@H](NC(=O)c2ccoc2CCC)C1 ZINC000968543381 613735174 /nfs/dbraw/zinc/73/51/74/613735174.db2.gz AXVNNCYUCRFWOI-UKRRQHHQSA-N 0 1 290.407 2.858 20 30 CFEDMN C=CCN1CC[C@H](C)[C@@H](NC(=O)c2cccn2C(C)C)C1 ZINC000968660731 613769521 /nfs/dbraw/zinc/76/95/21/613769521.db2.gz NGTCCILRMMMDJQ-GJZGRUSLSA-N 0 1 289.423 2.695 20 30 CFEDMN C=CCN1CC[C@H](C)[C@H](NC(=O)c2ccc(F)c(C)c2)C1 ZINC000968060670 613774271 /nfs/dbraw/zinc/77/42/71/613774271.db2.gz PXAXDWYHFUHYAR-BLLLJJGKSA-N 0 1 290.382 2.760 20 30 CFEDMN C=CCN1CC[C@H](C)[C@H](NC(=O)c2coc(C(F)F)c2)C1 ZINC000968056013 613775433 /nfs/dbraw/zinc/77/54/33/613775433.db2.gz IANKRKOYQNWZIC-CMPLNLGQSA-N 0 1 298.333 2.843 20 30 CFEDMN C=CCN1C[C@@H](NC(=O)[C@@H](C)c2ccsc2)C(C)(C)C1 ZINC000975024573 613807686 /nfs/dbraw/zinc/80/76/86/613807686.db2.gz CDWTZBKHOVLRPI-GXTWGEPZSA-N 0 1 292.448 2.864 20 30 CFEDMN C=CCN1C[C@@H](NC(=O)c2c(C)cccc2C)C(C)(C)C1 ZINC000975068191 613809455 /nfs/dbraw/zinc/80/94/55/613809455.db2.gz VFDNPMFMBMYGLT-OAHLLOKOSA-N 0 1 286.419 2.930 20 30 CFEDMN C=CCN1C[C@@H](NC(=O)c2ccc(C3CC3)cn2)C(C)(C)C1 ZINC000977555740 613809923 /nfs/dbraw/zinc/80/99/23/613809923.db2.gz WMZGXENVMCEJKS-MRXNPFEDSA-N 0 1 299.418 2.585 20 30 CFEDMN C=CCN1C[C@@H](NC(=O)c2cc(F)ccc2C)C(C)(C)C1 ZINC000974879896 613810072 /nfs/dbraw/zinc/81/00/72/613810072.db2.gz IQWFVDIKSYITTN-OAHLLOKOSA-N 0 1 290.382 2.760 20 30 CFEDMN C=CCN1C[C@@H](NC(=O)c2sc(C)cc2C)C(C)(C)C1 ZINC000974621668 613812489 /nfs/dbraw/zinc/81/24/89/613812489.db2.gz BCRBVKOTNNGGRH-CYBMUJFWSA-N 0 1 292.448 2.991 20 30 CFEDMN C=CCN1C[C@H](NC(=O)C(F)=C2CCCC2)C(C)(C)C1 ZINC000973030263 613826593 /nfs/dbraw/zinc/82/65/93/613826593.db2.gz DNQPYTVGIQRIPK-ZDUSSCGKSA-N 0 1 280.387 2.797 20 30 CFEDMN C=CCN1C[C@H](NC(=O)[C@@H]2CC23CCCC3)C(C)(C)C1 ZINC000977447849 613827560 /nfs/dbraw/zinc/82/75/60/613827560.db2.gz MJIVQFIKBIQRCO-KBPBESRZSA-N 0 1 276.424 2.579 20 30 CFEDMN C=CCN1C[C@H](NC(=O)[C@@H]2CC3CCC2CC3)C(C)(C)C1 ZINC000977622927 613827616 /nfs/dbraw/zinc/82/76/16/613827616.db2.gz ULFDJYKZXPGBRS-FJBKBRRZSA-N 0 1 290.451 2.825 20 30 CFEDMN C=CCN1C[C@H](NC(=O)c2ccc(F)c(F)c2)C(C)(C)C1 ZINC000974686893 613828814 /nfs/dbraw/zinc/82/88/14/613828814.db2.gz YUEMPVRTDGXDFJ-AWEZNQCLSA-N 0 1 294.345 2.591 20 30 CFEDMN CC(C)C(=O)N[C@H]1CCN(Cc2ccccc2C#N)C[C@H]1C ZINC000941831687 613955499 /nfs/dbraw/zinc/95/54/99/613955499.db2.gz FCIYBJZMBCLOJA-PBHICJAKSA-N 0 1 299.418 2.541 20 30 CFEDMN CCC(C)(C)C(=O)N1CC[C@@H](NCc2ccccc2C#N)C1 ZINC000969772859 614486659 /nfs/dbraw/zinc/48/66/59/614486659.db2.gz IHNAGISEWZSDDO-MRXNPFEDSA-N 0 1 299.418 2.685 20 30 CFEDMN Oc1c(F)cc(Cl)cc1C=NN[C@@H]1CCSC1 ZINC000808003345 630938142 /nfs/dbraw/zinc/93/81/42/630938142.db2.gz MPLOZOAOEGGDSC-SECBINFHSA-N 0 1 274.748 2.614 20 30 CFEDMN CCN(CCC#N)C[C@H]1C[C@@H](NC(=O)OC(C)(C)C)C1 ZINC000891577298 617673963 /nfs/dbraw/zinc/67/39/63/617673963.db2.gz BHAXSLWYNGPAEA-BETUJISGSA-N 0 1 281.400 2.525 20 30 CFEDMN C#CCN(Cc1ccccc1)C(=O)c1c(O)cccc1F ZINC000804833233 617905814 /nfs/dbraw/zinc/90/58/14/617905814.db2.gz LWRWCWSBFGRBTI-UHFFFAOYSA-N 0 1 283.302 2.807 20 30 CFEDMN O=C(/C=C\c1cnn2ccccc12)c1ccc(O)cc1O ZINC000255501521 618032679 /nfs/dbraw/zinc/03/26/79/618032679.db2.gz GTGPAVSSWYTYOA-DAXSKMNVSA-N 0 1 280.283 2.642 20 30 CFEDMN C=CC[C@H]1CCN1[C@@H](C(=O)OC(C)(C)C)C1CC1 ZINC000934463459 618041995 /nfs/dbraw/zinc/04/19/95/618041995.db2.gz WIFNSNNJSKIAKV-QWHCGFSZSA-N 0 1 251.370 2.757 20 30 CFEDMN C=CC[C@@H]1CCN1C(=O)c1cnc(-c2ccccc2)[nH]1 ZINC000890553944 617644822 /nfs/dbraw/zinc/64/48/22/617644822.db2.gz FLZBHECVQFLGHZ-CYBMUJFWSA-N 0 1 267.332 2.867 20 30 CFEDMN C=CC[C@@H]1CCN1C(=O)[C@H](C)N1CCc2ccccc2C1 ZINC000890557681 617650935 /nfs/dbraw/zinc/65/09/35/617650935.db2.gz DTXMVHPBKWTZMJ-WMLDXEAASA-N 0 1 284.403 2.610 20 30 CFEDMN C=CC[C@H]1CCN1C(=O)c1sccc1CN(C)C ZINC000890559903 617651099 /nfs/dbraw/zinc/65/10/99/617651099.db2.gz RCWYGECYWWOHSC-LBPRGKRZSA-N 0 1 264.394 2.600 20 30 CFEDMN Cc1ccc(-c2cc(C(=O)O[C@@H](C#N)C(C)C)[nH]n2)o1 ZINC000176037878 617690717 /nfs/dbraw/zinc/69/07/17/617690717.db2.gz PFGVHHNGMCUJOD-ZDUSSCGKSA-N 0 1 273.292 2.683 20 30 CFEDMN Cc1nn(C)c(C)c1C=NNc1cc(Cl)ccn1 ZINC000777906792 617712333 /nfs/dbraw/zinc/71/23/33/617712333.db2.gz GXLDBDRWQQNFFG-UHFFFAOYSA-N 0 1 263.732 2.531 20 30 CFEDMN C#C[C@H](N[C@@H](C)c1cc2ccccc2[nH]1)[C@H]1CCCO1 ZINC000926211459 617718806 /nfs/dbraw/zinc/71/88/06/617718806.db2.gz UKWHPWVVWAJSCA-RVSPLBMKSA-N 0 1 268.360 2.999 20 30 CFEDMN C#C[C@@H]1CCCCN1C(=O)c1cc(-c2cccs2)[nH]n1 ZINC000890647987 617731983 /nfs/dbraw/zinc/73/19/83/617731983.db2.gz PUECRKHFEGPHFV-LLVKDONJSA-N 0 1 285.372 2.766 20 30 CFEDMN C=C(C)CN(CC)C(=O)CN1CCC(F)(C2CC2)CC1 ZINC000932632892 617906748 /nfs/dbraw/zinc/90/67/48/617906748.db2.gz RCJMBZPNZGPYNX-UHFFFAOYSA-N 0 1 282.403 2.625 20 30 CFEDMN C=CCCCN(CC)C(=O)[C@@H]1CCN1C(C)(C)C ZINC000890809276 617907913 /nfs/dbraw/zinc/90/79/13/617907913.db2.gz QYCPPOHBCGDYHK-ZDUSSCGKSA-N 0 1 252.402 2.674 20 30 CFEDMN CC(N=Nc1ccncc1Cl)c1cnn(C2CCC2)c1 ZINC000901198922 620763539 /nfs/dbraw/zinc/76/35/39/620763539.db2.gz QHDZZTUBDYNWGP-UHFFFAOYSA-N 0 1 289.770 2.915 20 30 CFEDMN Cc1nc(Br)c(C=NOC2CCCC2)[nH]1 ZINC000901210234 620765426 /nfs/dbraw/zinc/76/54/26/620765426.db2.gz HIYKEFGPPJFEFJ-UHFFFAOYSA-N 0 1 272.146 2.774 20 30 CFEDMN Cc1nc(Br)c(C=NNCCC(C)(C)C)[nH]1 ZINC000901216965 620766657 /nfs/dbraw/zinc/76/66/57/620766657.db2.gz IPBXLBWQJYVNIJ-UHFFFAOYSA-N 0 1 287.205 2.840 20 30 CFEDMN Cc1cc(F)ncc1C=NNc1nccnc1C(C)C ZINC000901231649 620768044 /nfs/dbraw/zinc/76/80/44/620768044.db2.gz NERSBYQNTXSAQW-UHFFFAOYSA-N 0 1 273.315 2.889 20 30 CFEDMN CC(=NNc1ncnc(Cl)c1C(C)C)c1ccnnc1 ZINC000901235196 620768952 /nfs/dbraw/zinc/76/89/52/620768952.db2.gz DJUMXEJYQJBUSN-UHFFFAOYSA-N 0 1 290.758 2.880 20 30 CFEDMN C[C@@H]1CCN(Cc2csc(C#N)c2)C[C@@H]1n1ccnc1 ZINC000892223408 618011899 /nfs/dbraw/zinc/01/18/99/618011899.db2.gz IKSMRYRJPIVNAQ-DOMZBBRYSA-N 0 1 286.404 2.899 20 30 CFEDMN C#CCN1CCC(Nc2ccc(C#N)cc2Cl)CC1 ZINC000236028447 618056936 /nfs/dbraw/zinc/05/69/36/618056936.db2.gz QHDMDVZNRZDNTE-UHFFFAOYSA-N 0 1 273.767 2.721 20 30 CFEDMN C#C[C@@H]1CCCCN1CCC(=O)Nc1ccc(C(C)=O)cc1 ZINC000934514106 618061356 /nfs/dbraw/zinc/06/13/56/618061356.db2.gz YSZPWOCODRPWEN-QGZVFWFLSA-N 0 1 298.386 2.706 20 30 CFEDMN Cn1cc(C=NNc2ccc(Cl)cn2)c(C2CC2)n1 ZINC000901265139 620778043 /nfs/dbraw/zinc/77/80/43/620778043.db2.gz SSTBYQDDWPGXKH-UHFFFAOYSA-N 0 1 275.743 2.792 20 30 CFEDMN C[C@H]1CCC[C@@](C#N)(NC(=O)c2cccc(F)c2O)C1 ZINC000933016637 618141193 /nfs/dbraw/zinc/14/11/93/618141193.db2.gz LTIJFCYFYVXWBW-ZUZCIYMTSA-N 0 1 276.311 2.734 20 30 CFEDMN N#Cc1csc(CN2CCCC[C@H]([C@H]3CCOC3)C2)n1 ZINC000934834692 618145139 /nfs/dbraw/zinc/14/51/39/618145139.db2.gz RJNLVTMJKUIHOL-STQMWFEESA-N 0 1 291.420 2.653 20 30 CFEDMN C[C@H]1CC(NN=Cc2cccc(Cl)c2O)C[C@H](C)O1 ZINC000901310385 620782682 /nfs/dbraw/zinc/78/26/82/620782682.db2.gz KEZHAJCGDIKFDC-UWVGGRQHSA-N 0 1 282.771 2.925 20 30 CFEDMN C#CCC1(NCc2ncnn2C(C)(C)C)CCCCC1 ZINC000933265152 618179424 /nfs/dbraw/zinc/17/94/24/618179424.db2.gz BGPLTIUYGVFLDA-UHFFFAOYSA-N 0 1 274.412 2.849 20 30 CFEDMN COc1ccc(C(=O)/C=C\c2c(C)noc2C)c(O)c1 ZINC000255323650 618197337 /nfs/dbraw/zinc/19/73/37/618197337.db2.gz IVMFDQDPXCFNSD-SREVYHEPSA-N 0 1 273.288 2.902 20 30 CFEDMN Cc1ccc(OCC(=O)Nc2cc(C#N)ccc2O)c(C)c1 ZINC000176822920 618207020 /nfs/dbraw/zinc/20/70/20/618207020.db2.gz XTTZZBCQOJGHGU-UHFFFAOYSA-N 0 1 296.326 2.898 20 30 CFEDMN N#Cc1ccc(O)c(NC(=O)Cc2cccc(F)c2)c1 ZINC000176825069 618207173 /nfs/dbraw/zinc/20/71/73/618207173.db2.gz APWLJCZAEUZPCR-UHFFFAOYSA-N 0 1 270.263 2.584 20 30 CFEDMN Cc1ccc(O[C@@H](C)C(=O)Nc2cc(C#N)ccc2O)cc1 ZINC000176825142 618207219 /nfs/dbraw/zinc/20/72/19/618207219.db2.gz OHZRASNGZGIBJT-LBPRGKRZSA-N 0 1 296.326 2.978 20 30 CFEDMN C#CCN1CCC[C@H](CNC(=O)c2cc3ccccc3o2)C1 ZINC001023737543 618219537 /nfs/dbraw/zinc/21/95/37/618219537.db2.gz QWWBNTMMACJQSY-CQSZACIVSA-N 0 1 296.370 2.508 20 30 CFEDMN C[C@@H]1CO[C@@H](C(=O)C(C#N)c2nc3ccccc3s2)C1 ZINC000892428151 618256589 /nfs/dbraw/zinc/25/65/89/618256589.db2.gz ZTEDXTYLRKOMOB-HOSYDEDBSA-N 0 1 286.356 2.898 20 30 CFEDMN Cc1ncc2c(n1)CCC[C@H]2NCc1ccc(C#N)s1 ZINC000749110618 618262153 /nfs/dbraw/zinc/26/21/53/618262153.db2.gz MFGVORVYPAJPSF-CQSZACIVSA-N 0 1 284.388 2.885 20 30 CFEDMN O=C(/C=C\c1ccc2c(c1)CCO2)c1ccc(O)cc1O ZINC000255683212 618262636 /nfs/dbraw/zinc/26/26/36/618262636.db2.gz WGMSDEVWWIWRQD-KTAJNNJTSA-N 0 1 282.295 2.929 20 30 CFEDMN C#CC1CCN(Cc2ccc(OC)c(OC)c2F)CC1 ZINC000895085466 618277238 /nfs/dbraw/zinc/27/72/38/618277238.db2.gz LWHHRKZXEYXLKH-UHFFFAOYSA-N 0 1 277.339 2.688 20 30 CFEDMN C#C[C@H](N[C@H](C)c1ccnc(Cl)c1)[C@H]1CCCO1 ZINC000775574881 618280836 /nfs/dbraw/zinc/28/08/36/618280836.db2.gz SYAMAEBPFXOFAI-KGYLQXTDSA-N 0 1 264.756 2.566 20 30 CFEDMN C=CCN1CCCC[C@@H]1CNC(=O)[C@H]1[C@@H]2CCCC[C@@H]21 ZINC001024373510 618303181 /nfs/dbraw/zinc/30/31/81/618303181.db2.gz MYJCYPGVPORFAW-WCVJEAGWSA-N 0 1 276.424 2.579 20 30 CFEDMN C#CCC[N@@H+]1CCCC[C@H]1CNC(=O)c1ccoc1Cl ZINC001024415060 618309525 /nfs/dbraw/zinc/30/95/25/618309525.db2.gz OEJMPFVMAIPFEY-LBPRGKRZSA-N 0 1 294.782 2.541 20 30 CFEDMN C=CCN1CCCC[C@@H]1CNC(=O)c1ccoc1Cl ZINC001024413767 618312988 /nfs/dbraw/zinc/31/29/88/618312988.db2.gz BZDPVNKGOGFZBQ-LLVKDONJSA-N 0 1 282.771 2.703 20 30 CFEDMN C=C(C)C[N@H+]1CCCC[C@@H]1CNC(=O)c1ccncc1C ZINC001024427782 618314171 /nfs/dbraw/zinc/31/41/71/618314171.db2.gz OMCVEAPAPMXZQZ-OAHLLOKOSA-N 0 1 287.407 2.550 20 30 CFEDMN CCn1cc(CN[C@H]2CCc3cc(C#N)ccc32)c(C)n1 ZINC000894100836 618332877 /nfs/dbraw/zinc/33/28/77/618332877.db2.gz BSTPTURZQCNELO-KRWDZBQOSA-N 0 1 280.375 2.860 20 30 CFEDMN COCCC1(C(=O)Nc2cc(C#N)ccc2O)CCCC1 ZINC000179737357 618343584 /nfs/dbraw/zinc/34/35/84/618343584.db2.gz BBCWMAWGEWPKCO-UHFFFAOYSA-N 0 1 288.347 2.799 20 30 CFEDMN C=CCN1CCCC[C@@H]1CNC(=O)c1cc2cnccc2o1 ZINC001024532378 618347375 /nfs/dbraw/zinc/34/73/75/618347375.db2.gz FSOAXUXSWSEKGC-CQSZACIVSA-N 0 1 299.374 2.598 20 30 CFEDMN N#CC(C(=O)C[C@@H]1CCC2(CCC2)O1)c1ccccn1 ZINC000892483246 618360482 /nfs/dbraw/zinc/36/04/82/618360482.db2.gz LNQORONLDACWCJ-QWHCGFSZSA-N 0 1 270.332 2.750 20 30 CFEDMN Cc1cc(CN(C)C[C@@H](O)c2cccc(C#N)c2)cnc1F ZINC000895141548 618374283 /nfs/dbraw/zinc/37/42/83/618374283.db2.gz KRJRNDGTTVDWQL-MRXNPFEDSA-N 0 1 299.349 2.566 20 30 CFEDMN CC#CCN1CCCC[C@@H]1CNC(=O)[C@@H]1CCCC1(C)C ZINC001024610784 618414853 /nfs/dbraw/zinc/41/48/53/618414853.db2.gz YPDIQPSGUCBJNO-CVEARBPZSA-N 0 1 290.451 2.807 20 30 CFEDMN C=C(C)CN1CCCC[C@@H]1CNC(=O)c1cc(C)co1 ZINC001024611931 618416915 /nfs/dbraw/zinc/41/69/15/618416915.db2.gz JEEPJXDHLRRDDN-CQSZACIVSA-N 0 1 276.380 2.748 20 30 CFEDMN COC(=O)c1ccccc1N=NCc1ccc(OC)cc1 ZINC000776187588 618420478 /nfs/dbraw/zinc/42/04/78/618420478.db2.gz UUEMVLOHXCTQTL-UHFFFAOYSA-N 0 1 284.315 2.928 20 30 CFEDMN C#CCN1CCCC[C@@H]1CNC(=O)c1c(C)cccc1C ZINC001024669254 618438095 /nfs/dbraw/zinc/43/80/95/618438095.db2.gz DWMJSJKSYFCJLN-MRXNPFEDSA-N 0 1 284.403 2.521 20 30 CFEDMN C=CCN1CCCC[C@@H]1CNC(=O)c1ccc2cc[nH]c2c1 ZINC001024681092 618441842 /nfs/dbraw/zinc/44/18/42/618441842.db2.gz NLRFRWHGOQFBFX-MRXNPFEDSA-N 0 1 297.402 2.938 20 30 CFEDMN C[C@H](CC(C)(C)C#N)NCC(=O)Nc1ccc(F)c(F)c1 ZINC000924558250 618455124 /nfs/dbraw/zinc/45/51/24/618455124.db2.gz DXILVFLZNMGTIJ-SNVBAGLBSA-N 0 1 295.333 2.821 20 30 CFEDMN C=CCN1CCCC[C@H]1CNC(=O)c1ncoc1C(C)C ZINC001024750030 618461976 /nfs/dbraw/zinc/46/19/76/618461976.db2.gz KCEUJOMKUUSBEI-ZDUSSCGKSA-N 0 1 291.395 2.568 20 30 CFEDMN C=CCNC(=O)C(C#N)C(=O)C[C@@H](C)C1CCCCC1 ZINC000726321726 618462529 /nfs/dbraw/zinc/46/25/29/618462529.db2.gz ORPSOLBFYMCEJU-TZMCWYRMSA-N 0 1 276.380 2.604 20 30 CFEDMN C=CCN1CCCC[C@@H]1CNC(=O)c1ccc(F)cc1C ZINC001024768288 618466279 /nfs/dbraw/zinc/46/62/79/618466279.db2.gz PBPZYWCBQJGSPY-OAHLLOKOSA-N 0 1 290.382 2.904 20 30 CFEDMN CC#CCN1CCCC[C@H]1CNC(=O)c1ccc(C)c(C)c1 ZINC001024788855 618471496 /nfs/dbraw/zinc/47/14/96/618471496.db2.gz OLLSIPWFOJLRQV-SFHVURJKSA-N 0 1 298.430 2.911 20 30 CFEDMN Oc1ccccc1C=NNc1ccc(Br)cn1 ZINC000727266407 618473916 /nfs/dbraw/zinc/47/39/16/618473916.db2.gz SJIPLNXRAZVUSS-UHFFFAOYSA-N 0 1 292.136 2.996 20 30 CFEDMN CC(=O)OC[C@H](C)NCC#Cc1ccc(C(F)(F)F)cc1 ZINC000893359677 618474635 /nfs/dbraw/zinc/47/46/35/618474635.db2.gz CHQCCIOLUIRRHC-NSHDSACASA-N 0 1 299.292 2.598 20 30 CFEDMN CCN1c2ccc(C)cc2C(=N[N-]c2ccc(C)c[nH+]2)C1=O ZINC000727259531 618475557 /nfs/dbraw/zinc/47/55/57/618475557.db2.gz GCJMDOGQAQWVCZ-UHFFFAOYSA-N 0 1 294.358 2.881 20 30 CFEDMN CC#CCN1CCCC[C@H]1CNC(=O)C1CCC=CCC1 ZINC001024805738 618476279 /nfs/dbraw/zinc/47/62/79/618476279.db2.gz ZPJGIKDHZNMWQK-KRWDZBQOSA-N 0 1 288.435 2.727 20 30 CFEDMN CCC(N=Nc1cncnc1)c1cc(F)ccc1F ZINC000794978985 618500897 /nfs/dbraw/zinc/50/08/97/618500897.db2.gz QLXHNRDLBMLVJC-UHFFFAOYSA-N 0 1 262.263 2.981 20 30 CFEDMN C=CCOc1ccccc1CNC[C@@H]1CC(C)=NO1 ZINC000895309545 618526038 /nfs/dbraw/zinc/52/60/38/618526038.db2.gz CGHPLEARMVPXLJ-AWEZNQCLSA-N 0 1 260.337 2.506 20 30 CFEDMN C#CC1(O)CCN(CCCc2c(F)cccc2Cl)CC1 ZINC000895385190 618561921 /nfs/dbraw/zinc/56/19/21/618561921.db2.gz ZWWGGUVWJBZGEX-UHFFFAOYSA-N 0 1 295.785 2.872 20 30 CFEDMN C[C@H](c1ccccc1F)N(C)CCO[C@@H](C)C#N ZINC000310708009 618608263 /nfs/dbraw/zinc/60/82/63/618608263.db2.gz JCPKYEHUBXNARY-NWDGAFQWSA-N 0 1 250.317 2.747 20 30 CFEDMN N#Cc1ccc(CN2CC[C@@H](C(F)(F)F)C2)cc1 ZINC000310764529 618636585 /nfs/dbraw/zinc/63/65/85/618636585.db2.gz MJONRVLOKFPKGD-GFCCVEGCSA-N 0 1 254.255 2.942 20 30 CFEDMN C=C(C)CN1CCC[C@@H](NC(=O)[C@@H]2CCC(F)(F)C2)C1 ZINC001007469780 618687155 /nfs/dbraw/zinc/68/71/55/618687155.db2.gz PWLAOHQCLOZQPW-CHWSQXEVSA-N 0 1 286.366 2.579 20 30 CFEDMN C#CCOc1ccccc1CNCc1cn(CC)nc1C ZINC000892970562 618786879 /nfs/dbraw/zinc/78/68/79/618786879.db2.gz JAYXXJBPRXROOG-UHFFFAOYSA-N 0 1 283.375 2.513 20 30 CFEDMN C=CC[C@H](NCc1ccc(OC)cn1)c1ccncc1 ZINC000892973386 618788042 /nfs/dbraw/zinc/78/80/42/618788042.db2.gz QNGBAFYARMOVMU-INIZCTEOSA-N 0 1 269.348 2.892 20 30 CFEDMN CCO[C@@H]1C[C@@H](N[C@@H](CCC#N)c2ccccc2)[C@H]1OC ZINC000893193863 618876369 /nfs/dbraw/zinc/87/63/69/618876369.db2.gz AYWNKUTXLJKKRU-YLFCFFPRSA-N 0 1 288.391 2.813 20 30 CFEDMN C=C(C)CN1CCC[C@@H](NC(=O)c2ccc(C)c(F)c2)C1 ZINC001007864747 618881243 /nfs/dbraw/zinc/88/12/43/618881243.db2.gz LEOVLIXKRSMPPI-OAHLLOKOSA-N 0 1 290.382 2.904 20 30 CFEDMN N#Cc1ccc(OCCN2CC[C@H](C(F)(F)F)C2)cc1 ZINC000312255604 618914332 /nfs/dbraw/zinc/91/43/32/618914332.db2.gz DCUGMJVMDPPBPX-LBPRGKRZSA-N 0 1 284.281 2.821 20 30 CFEDMN CC(C)(C)[C@H]1CSCCN1Cc1cncc(C#N)c1 ZINC000931593080 619053019 /nfs/dbraw/zinc/05/30/19/619053019.db2.gz UOQLCUVRZWEOBN-CQSZACIVSA-N 0 1 275.421 2.917 20 30 CFEDMN Cc1[nH]nc(CN(CCC#N)Cc2ccco2)c1C ZINC000893880322 619234550 /nfs/dbraw/zinc/23/45/50/619234550.db2.gz IYRCOHSDVUPFPQ-UHFFFAOYSA-N 0 1 258.325 2.535 20 30 CFEDMN C=CCCN(C)Cc1ccc(NC(=O)OC(C)(C)C)nn1 ZINC000893929728 619246032 /nfs/dbraw/zinc/24/60/32/619246032.db2.gz JYWYWWLAAXWDNL-UHFFFAOYSA-N 0 1 292.383 2.832 20 30 CFEDMN C#CCN(Cc1cc(C(=O)OC)co1)C1CCCCC1 ZINC000726597392 619253233 /nfs/dbraw/zinc/25/32/33/619253233.db2.gz LAXKYYFAWATISH-UHFFFAOYSA-N 0 1 275.348 2.834 20 30 CFEDMN N#C[C@H](C(=O)CC1CCCCC1)C(=O)NC1CCCC1 ZINC000048555057 619355126 /nfs/dbraw/zinc/35/51/26/619355126.db2.gz CHQOQLHFDSVNCF-CQSZACIVSA-N 0 1 276.380 2.724 20 30 CFEDMN C#C[C@H](NCc1cnn(CC2CCC2)c1)C(C)(C)C ZINC000894517353 619407773 /nfs/dbraw/zinc/40/77/73/619407773.db2.gz JFIROFAAPSIXGS-HNNXBMFYSA-N 0 1 259.397 2.821 20 30 CFEDMN C#C[C@H](C)N(C)Cc1ccccc1OCC(F)F ZINC000894574496 619422411 /nfs/dbraw/zinc/42/24/11/619422411.db2.gz UKDJWKDUCQQJQN-NSHDSACASA-N 0 1 253.292 2.784 20 30 CFEDMN CC(C)c1nnc(CN[C@H]2CC[C@@H](CC#N)C2)s1 ZINC000894692280 619443697 /nfs/dbraw/zinc/44/36/97/619443697.db2.gz RURMLGOIBXJKBB-QWRGUYRKSA-N 0 1 264.398 2.833 20 30 CFEDMN C#C[C@@H](C)NCc1c(C)nn(-c2ccccc2C)c1C ZINC000894737699 619452962 /nfs/dbraw/zinc/45/29/62/619452962.db2.gz DVKTXRAUXLXTMO-CYBMUJFWSA-N 0 1 267.376 2.909 20 30 CFEDMN C#C[C@H](C)NCc1ccc(C(=O)OC)cc1C(F)(F)F ZINC000894738352 619455102 /nfs/dbraw/zinc/45/51/02/619455102.db2.gz SEADIELIGGPFID-VIFPVBQESA-N 0 1 285.265 2.603 20 30 CFEDMN C=CC[N@@H+](C/C=C(\C)C(=O)OC)CCc1ccccc1 ZINC000748814425 619505787 /nfs/dbraw/zinc/50/57/87/619505787.db2.gz ABBGIANADQZNMI-XNTDXEJSSA-N 0 1 273.376 2.836 20 30 CFEDMN C=CCN(C/C=C(\C)C(=O)OC)CCc1ccccc1 ZINC000748814425 619505788 /nfs/dbraw/zinc/50/57/88/619505788.db2.gz ABBGIANADQZNMI-XNTDXEJSSA-N 0 1 273.376 2.836 20 30 CFEDMN C=C[C@@H]1OCC[C@H]1CNCc1csc(C(F)(F)F)n1 ZINC000895006861 619524344 /nfs/dbraw/zinc/52/43/44/619524344.db2.gz VBNVKYVRADKBKC-WPRPVWTQSA-N 0 1 292.326 2.843 20 30 CFEDMN FC(F)(F)[C@H](CNCC#Cc1ccccc1)n1cccn1 ZINC000895548378 619549468 /nfs/dbraw/zinc/54/94/68/619549468.db2.gz RZQAVZQWFZZOGT-AWEZNQCLSA-N 0 1 293.292 2.628 20 30 CFEDMN C#CC[C@@H](Cc1ccccc1)NC[C@@H](C#N)CCC#N ZINC000795329241 619553346 /nfs/dbraw/zinc/55/33/46/619553346.db2.gz MJBPNQTTYMKRGC-SJORKVTESA-N 0 1 265.360 2.654 20 30 CFEDMN C#CCC1(O)CCN(Cc2cnc(C(C)(C)C)s2)CC1 ZINC000895675116 619579815 /nfs/dbraw/zinc/57/98/15/619579815.db2.gz MQPNIWLMSZDIFA-UHFFFAOYSA-N 0 1 292.448 2.791 20 30 CFEDMN C#CCN1CCC[C@H]([NH2+]Cc2ccc3ccccc3c2[O-])C1 ZINC000895747233 619595673 /nfs/dbraw/zinc/59/56/73/619595673.db2.gz GLKFKKXXWPTRCA-KRWDZBQOSA-N 0 1 294.398 2.733 20 30 CFEDMN N#Cc1c(F)cccc1CNC[C@@H]1CC2(CCC2)CO1 ZINC000895789561 619607430 /nfs/dbraw/zinc/60/74/30/619607430.db2.gz CYTRMKYOVZZVDI-ZDUSSCGKSA-N 0 1 274.339 2.746 20 30 CFEDMN N#Cc1cnc(Cl)c(CNC[C@@H]2CC3(CCC3)CO2)c1 ZINC000895790806 619607860 /nfs/dbraw/zinc/60/78/60/619607860.db2.gz MKYJPWYNQSDRTN-ZDUSSCGKSA-N 0 1 291.782 2.655 20 30 CFEDMN C#CCN1CCC(Nc2ncncc2-c2ccccc2)CC1 ZINC000895808319 619612304 /nfs/dbraw/zinc/61/23/04/619612304.db2.gz FASLIIMMTGMJAU-UHFFFAOYSA-N 0 1 292.386 2.653 20 30 CFEDMN C#CCN1CCC(Nc2nc(C(C)C)nc3[nH]ccc32)CC1 ZINC000895811531 619613437 /nfs/dbraw/zinc/61/34/37/619613437.db2.gz SKJRXRZJLBURMD-UHFFFAOYSA-N 0 1 297.406 2.591 20 30 CFEDMN C=CCC1(O)CCN(Cc2cnc(C3CC3)s2)CC1 ZINC000895835669 619620308 /nfs/dbraw/zinc/62/03/08/619620308.db2.gz KQPGPYTYPJXFDO-UHFFFAOYSA-N 0 1 278.421 2.924 20 30 CFEDMN C=CCOc1ccc(C[N@@H+]2CC[C@H](c3noc(C)n3)C2)cc1 ZINC000896237882 619702115 /nfs/dbraw/zinc/70/21/15/619702115.db2.gz VNSGYIUYSGEKRP-HNNXBMFYSA-N 0 1 299.374 2.932 20 30 CFEDMN C=C(Br)CN1CCCC[C@@H]1[C@@H]1CCC[C@@H]1O ZINC000163191622 619760901 /nfs/dbraw/zinc/76/09/01/619760901.db2.gz CFWHVHDWVILTBG-XQQFMLRXSA-N 0 1 288.229 2.911 20 30 CFEDMN C=CCCCN(C)CN1C[C@@H](c2ccccc2F)CC1=O ZINC000182686057 625367723 /nfs/dbraw/zinc/36/77/23/625367723.db2.gz YKURPXJFHCTUQA-AWEZNQCLSA-N 0 1 290.382 2.997 20 30 CFEDMN CC(C)(C)OC(=O)N[C@H]1C[C@@H](CN2CCC[C@@H](C#N)C2)C1 ZINC000896500778 619750343 /nfs/dbraw/zinc/75/03/43/619750343.db2.gz KRBYBSCFSGHZDT-MELADBBJSA-N 0 1 293.411 2.525 20 30 CFEDMN N#Cc1c(F)cccc1CN[C@@H](CO)CCc1ccccc1 ZINC000896526341 619756432 /nfs/dbraw/zinc/75/64/32/619756432.db2.gz WAQZAQMNVFEASD-MRXNPFEDSA-N 0 1 298.361 2.781 20 30 CFEDMN C=CCCCN(C)CN1C[C@H](c2ccccc2F)CC1=O ZINC000182686038 625368675 /nfs/dbraw/zinc/36/86/75/625368675.db2.gz YKURPXJFHCTUQA-CQSZACIVSA-N 0 1 290.382 2.997 20 30 CFEDMN C#CCN(C(=O)c1cc(CCCCC)[nH]n1)C(C)C ZINC000928622910 619775533 /nfs/dbraw/zinc/77/55/33/619775533.db2.gz DWLYOIIFIDIHRB-UHFFFAOYSA-N 0 1 261.369 2.626 20 30 CFEDMN C#CCN(C(=O)c1cc(-c2cccs2)[nH]n1)C(C)C ZINC000928627648 619838495 /nfs/dbraw/zinc/83/84/95/619838495.db2.gz FLOGTAVGBDXNHM-UHFFFAOYSA-N 0 1 273.361 2.622 20 30 CFEDMN Cc1ccc(CNCc2cnn(C)c2C2CC2)cc1C#N ZINC000896879455 619855001 /nfs/dbraw/zinc/85/50/01/619855001.db2.gz AWGGAEGMJNRIEH-UHFFFAOYSA-N 0 1 280.375 2.767 20 30 CFEDMN C=CC1(CC(=O)OCc2n[nH]c(C)n2)CCCCC1 ZINC000909549319 619863687 /nfs/dbraw/zinc/86/36/87/619863687.db2.gz FTABOKGUUABMBY-UHFFFAOYSA-N 0 1 263.341 2.683 20 30 CFEDMN CC(C)CCN(CCC#N)C(=O)[C@H]1CCN1C(C)(C)C ZINC000896894735 619866121 /nfs/dbraw/zinc/86/61/21/619866121.db2.gz YLCYGVXYRUQZNO-CQSZACIVSA-N 0 1 279.428 2.648 20 30 CFEDMN C[C@@H](CCC#N)CN1CCn2nc(C3CC3)cc2C1 ZINC000896939204 619900769 /nfs/dbraw/zinc/90/07/69/619900769.db2.gz BFUKALLHKXLYFN-LBPRGKRZSA-N 0 1 258.369 2.516 20 30 CFEDMN C#CCN1CCC(NC(=O)c2coc3c2cccc3C)CC1 ZINC000928648777 619907938 /nfs/dbraw/zinc/90/79/38/619907938.db2.gz BXGZEXMPXQDJAZ-UHFFFAOYSA-N 0 1 296.370 2.569 20 30 CFEDMN CC#CCN(C)Cc1ccc(OC)c(COCC)c1 ZINC000897167358 619942361 /nfs/dbraw/zinc/94/23/61/619942361.db2.gz ZPANSYQDYMHDPQ-UHFFFAOYSA-N 0 1 261.365 2.687 20 30 CFEDMN C=C(Cl)CN[C@@H]1CCN(C(=O)c2ccccc2F)[C@@H]1C ZINC000985898054 620049848 /nfs/dbraw/zinc/04/98/48/620049848.db2.gz KVEUPPGNXPEDCT-BXUZGUMPSA-N 0 1 296.773 2.771 20 30 CFEDMN C=C(Cl)CN[C@H]1CCN(C(=O)c2ccoc2C)[C@@H]1C ZINC000985935259 620053500 /nfs/dbraw/zinc/05/35/00/620053500.db2.gz OKZRFLXQOCZOAB-MFKMUULPSA-N 0 1 282.771 2.533 20 30 CFEDMN C=C(Cl)CN[C@H]1CCN(C(=O)c2oc(C)cc2C)[C@@H]1C ZINC000986125163 620069162 /nfs/dbraw/zinc/06/91/62/620069162.db2.gz RPWUDLOOWJLBEU-OLZOCXBDSA-N 0 1 296.798 2.842 20 30 CFEDMN C=C(Cl)CN[C@H]1CCN(C(=O)CC2CCC2)[C@H]1C ZINC000986138391 620072351 /nfs/dbraw/zinc/07/23/51/620072351.db2.gz YKQCCOYQWPWAHO-AAEUAGOBSA-N 0 1 270.804 2.508 20 30 CFEDMN C=C(Cl)CN[C@H]1CCN(C(=O)Cc2ccccc2)[C@@H]1C ZINC000986437468 620082141 /nfs/dbraw/zinc/08/21/41/620082141.db2.gz OZWXJMWBVGNYIM-HIFRSBDPSA-N 0 1 292.810 2.561 20 30 CFEDMN CC(C)CC(=O)N1C[C@H](NCc2ccccc2C#N)C[C@H]1C ZINC000987865620 620157519 /nfs/dbraw/zinc/15/75/19/620157519.db2.gz IVMPKNBZKNEKEF-RHSMWYFYSA-N 0 1 299.418 2.683 20 30 CFEDMN C=C(Cl)CN[C@H]1C[C@H](C)N(C(=O)CC2CCCC2)C1 ZINC000987867324 620157964 /nfs/dbraw/zinc/15/79/64/620157964.db2.gz RWSFQAWGAZKGJO-JSGCOSHPSA-N 0 1 284.831 2.898 20 30 CFEDMN C=C(Cl)CN[C@@H]1C[C@H](C)N(C(=O)C2C=CC=CC=C2)C1 ZINC000988905813 620226639 /nfs/dbraw/zinc/22/66/39/620226639.db2.gz QPPDNUZDCVCENJ-DZGCQCFKSA-N 0 1 292.810 2.616 20 30 CFEDMN C=C(Cl)CN[C@H]1C[C@@H](C)N(C(=O)C2CC3(CCC3)C2)C1 ZINC000989314592 620244663 /nfs/dbraw/zinc/24/46/63/620244663.db2.gz BRNPUTIHKOGDSC-OCCSQVGLSA-N 0 1 296.842 2.898 20 30 CFEDMN N#Cc1ccc(C2CCN(Cc3cnccn3)CC2)cc1 ZINC000897588876 620252902 /nfs/dbraw/zinc/25/29/02/620252902.db2.gz OXKJMCQDZXGEBW-UHFFFAOYSA-N 0 1 278.359 2.728 20 30 CFEDMN C=C(C)CN1CCCN(C(=O)c2ncoc2C(C)C)CC1 ZINC000989424654 620264035 /nfs/dbraw/zinc/26/40/35/620264035.db2.gz HEDPIMVZMXHAMC-UHFFFAOYSA-N 0 1 291.395 2.522 20 30 CFEDMN C=C(CNC(=O)[C@@H]1CCN1C(C)(C)C)c1ccccc1 ZINC000897767679 620278402 /nfs/dbraw/zinc/27/84/02/620278402.db2.gz ZSQTWHVBDWCIHV-HNNXBMFYSA-N 0 1 272.392 2.689 20 30 CFEDMN C=C(CNC(=O)[C@H]1CCN1C(C)(C)C)c1ccccc1 ZINC000897767680 620278495 /nfs/dbraw/zinc/27/84/95/620278495.db2.gz ZSQTWHVBDWCIHV-OAHLLOKOSA-N 0 1 272.392 2.689 20 30 CFEDMN N#Cc1cnc(Cl)c(CN2C[C@@H]3CCC[C@@H]3C2)c1 ZINC000898071123 620333187 /nfs/dbraw/zinc/33/31/87/620333187.db2.gz NOEMZEQMXKMFST-TXEJJXNPSA-N 0 1 261.756 2.839 20 30 CFEDMN COC1(CNCc2nc(C#N)cs2)CCCCCC1 ZINC000898260254 620359706 /nfs/dbraw/zinc/35/97/06/620359706.db2.gz AVPDYULOFFLOJD-UHFFFAOYSA-N 0 1 279.409 2.844 20 30 CFEDMN N#Cc1cccc(CN[C@@H](c2ccncc2)C2CC2)n1 ZINC000898321989 620365663 /nfs/dbraw/zinc/36/56/63/620365663.db2.gz XDXGMZUIUULZTD-MRXNPFEDSA-N 0 1 264.332 2.589 20 30 CFEDMN C=C(C)CN1CCCN(C(=O)[C@@H](C)c2ccccc2)CC1 ZINC000989502379 620379728 /nfs/dbraw/zinc/37/97/28/620379728.db2.gz YQRBUHBNLNEFJT-INIZCTEOSA-N 0 1 286.419 2.901 20 30 CFEDMN C=C(C)CN1CCCN(C(=O)C2(c3ccccc3)CC2)CC1 ZINC000989609128 620383315 /nfs/dbraw/zinc/38/33/15/620383315.db2.gz SHGRBZMFRWHWNP-UHFFFAOYSA-N 0 1 298.430 2.829 20 30 CFEDMN C=CCN1CCCN(C(=O)C2(C)CCC(C)CC2)CC1 ZINC000989764053 620390064 /nfs/dbraw/zinc/39/00/64/620390064.db2.gz YIAAXVSAXAXOQK-UHFFFAOYSA-N 0 1 278.440 2.923 20 30 CFEDMN C=CCN1CC[C@@]2(NC(=O)c3sccc3F)CCC[C@@H]12 ZINC000990496811 620426731 /nfs/dbraw/zinc/42/67/31/620426731.db2.gz OPVZHXYQNNHLEC-DOMZBBRYSA-N 0 1 294.395 2.800 20 30 CFEDMN C=CC(C)(C)CCNC(=O)[C@@H]1CCN1C(C)(C)C ZINC000899126653 620524103 /nfs/dbraw/zinc/52/41/03/620524103.db2.gz SDKDYCYWHZJZNM-LBPRGKRZSA-N 0 1 252.402 2.578 20 30 CFEDMN C#CC[C@@H]1C(=O)N(c2ncnc(Cl)c2C(C)C)N=C1C ZINC000899352660 620548247 /nfs/dbraw/zinc/54/82/47/620548247.db2.gz MXTNMXFMWSSCCY-JTQLQIEISA-N 0 1 290.754 2.615 20 30 CFEDMN C#CC[C@@H]1C(C)=NN(c2ccc(SC)cc2)C1=O ZINC000899349234 620549697 /nfs/dbraw/zinc/54/96/97/620549697.db2.gz YZWJBCCRHKXCOS-CYBMUJFWSA-N 0 1 258.346 2.771 20 30 CFEDMN C#CCc1c(C)[nH]n(-c2ccc(SC)cc2)c1=O ZINC000899349234 620549699 /nfs/dbraw/zinc/54/96/99/620549699.db2.gz YZWJBCCRHKXCOS-CYBMUJFWSA-N 0 1 258.346 2.771 20 30 CFEDMN C#CC[C@@H]1C(C)=NN(c2ccc(C(=O)OCC)c(C)c2)C1=O ZINC000899356700 620549854 /nfs/dbraw/zinc/54/98/54/620549854.db2.gz QLTQJVGVKLTNKA-OAHLLOKOSA-N 0 1 298.342 2.534 20 30 CFEDMN C#CCc1c(C)[nH]n(-c2ccc(C(=O)OCC)c(C)c2)c1=O ZINC000899356700 620549856 /nfs/dbraw/zinc/54/98/56/620549856.db2.gz QLTQJVGVKLTNKA-OAHLLOKOSA-N 0 1 298.342 2.534 20 30 CFEDMN C#CCCc1cc(=O)n(Cc2ccc(Cl)cc2)[nH]1 ZINC000899351169 620550796 /nfs/dbraw/zinc/55/07/96/620550796.db2.gz BKVUWPDAHUALHU-UHFFFAOYSA-N 0 1 260.724 2.842 20 30 CFEDMN C#CCCCCCC[N@@H+]1C[C@H]2CCC[C@@]2(C(=O)[O-])C1 ZINC000901519398 620854814 /nfs/dbraw/zinc/85/48/14/620854814.db2.gz PPHUDSNLWIZJHP-GDBMZVCRSA-N 0 1 263.381 2.757 20 30 CFEDMN C=CCOC[C@@H]([NH2+][C@@H](C)c1cc2ccccc2o1)C(=O)[O-] ZINC000901808001 620921272 /nfs/dbraw/zinc/92/12/72/620921272.db2.gz ABLSUMFAPPWOPO-WCQYABFASA-N 0 1 289.331 2.739 20 30 CFEDMN C=CC[C@@H]1CCCN(CN2Cc3ccccc3C2=O)C1 ZINC000902313022 621030438 /nfs/dbraw/zinc/03/04/38/621030438.db2.gz NVAFAPSMWTXIBL-CQSZACIVSA-N 0 1 270.376 2.888 20 30 CFEDMN C=CCCC[N@H+](CC)Cc1c([O-])nnn1-c1ccccc1 ZINC000902669835 621148322 /nfs/dbraw/zinc/14/83/22/621148322.db2.gz RLKFCLKOINIRSP-UHFFFAOYSA-N 0 1 286.379 2.761 20 30 CFEDMN C=CCCCN(CC)Cn1cc(Br)cn1 ZINC000902669868 621148621 /nfs/dbraw/zinc/14/86/21/621148621.db2.gz SDEQXXNLRLCCCB-UHFFFAOYSA-N 0 1 272.190 2.891 20 30 CFEDMN C=CCC[C@H](NCc1nncn1CC)[C@]1(C)CCCCO1 ZINC000902746907 621163518 /nfs/dbraw/zinc/16/35/18/621163518.db2.gz AJZWRFTXQBIVPQ-HOCLYGCPSA-N 0 1 292.427 2.682 20 30 CFEDMN C[C@@H](NCc1ccc2c(c1)CCO2)c1cc(C#N)ccn1 ZINC000902785494 621168149 /nfs/dbraw/zinc/16/81/49/621168149.db2.gz GDZAKKDNSOBOHD-GFCCVEGCSA-N 0 1 279.343 2.739 20 30 CFEDMN C[C@H](COCC(F)(F)F)N[C@@H](C)c1cc(C#N)ccn1 ZINC000902777197 621171165 /nfs/dbraw/zinc/17/11/65/621171165.db2.gz TZTVLNZWWIZMDO-ZJUUUORDSA-N 0 1 287.285 2.571 20 30 CFEDMN CC(C)c1nc([C@H](C)N[C@@H](C)c2cc(C#N)ccn2)n[nH]1 ZINC000902889422 621200411 /nfs/dbraw/zinc/20/04/11/621200411.db2.gz JDJQUTVSTVFNRL-QWRGUYRKSA-N 0 1 284.367 2.607 20 30 CFEDMN C=C(Cl)CN[C@H](C)C1(NC(=O)OC(C)(C)C)CC1 ZINC000903121557 621261279 /nfs/dbraw/zinc/26/12/79/621261279.db2.gz RRZPZUFZWBMKIG-SNVBAGLBSA-N 0 1 274.792 2.774 20 30 CFEDMN CCC(C)(C)OCCN[C@H](C)c1cc(C#N)ccn1 ZINC000903017247 621222580 /nfs/dbraw/zinc/22/25/80/621222580.db2.gz QLUKDYFXKSSUIP-GFCCVEGCSA-N 0 1 261.369 2.809 20 30 CFEDMN CC(=O)N1CC[C@H](NCC2(C#N)CCC2)c2ccccc2C1 ZINC000903032564 621230474 /nfs/dbraw/zinc/23/04/74/621230474.db2.gz JSFJJCSWJDJBBY-KRWDZBQOSA-N 0 1 297.402 2.763 20 30 CFEDMN C#CCOc1ccc([C@H](C)NCC(C)(C)C#N)cc1 ZINC000903100254 621252641 /nfs/dbraw/zinc/25/26/41/621252641.db2.gz LODDRUNZYPCGIX-ZDUSSCGKSA-N 0 1 256.349 2.899 20 30 CFEDMN N#CC1(CN[C@@H](c2nnc[nH]2)c2ccccc2)CCCC1 ZINC000903109523 621256714 /nfs/dbraw/zinc/25/67/14/621256714.db2.gz QRYNGLHZHDLRKS-CQSZACIVSA-N 0 1 281.363 2.568 20 30 CFEDMN Cc1ccc([C@H](C)NCc2nc(C#N)cs2)c(O)c1 ZINC000903262403 621303378 /nfs/dbraw/zinc/30/33/78/621303378.db2.gz DWWHKZWGPHDNNR-JTQLQIEISA-N 0 1 273.361 2.880 20 30 CFEDMN C[C@@H](NCc1nc(C#N)cs1)C(C)(C)C(F)F ZINC000903263906 621304209 /nfs/dbraw/zinc/30/42/09/621304209.db2.gz PBCWVAMPJDKQOF-SSDOTTSWSA-N 0 1 259.325 2.784 20 30 CFEDMN CCCCCCCC[C@H](CO)N[C@@H]1C[C@@H](C)n2ncnc21 ZINC000903318409 621331162 /nfs/dbraw/zinc/33/11/62/621331162.db2.gz KDTQCUAOIFETDD-RBSFLKMASA-N 0 1 294.443 2.985 20 30 CFEDMN C[C@]1(C(=O)[O-])CC[N@@H+](Cc2cc(Cl)cc(C#N)c2)C1 ZINC000903405334 621361543 /nfs/dbraw/zinc/36/15/43/621361543.db2.gz QPJIKYQYTFBTPF-AWEZNQCLSA-N 0 1 278.739 2.508 20 30 CFEDMN C[C@H]1CCC[N@@H+](CC2CCC(C#N)CC2)[C@H]1C(=O)[O-] ZINC000903408030 621363101 /nfs/dbraw/zinc/36/31/01/621363101.db2.gz MURBSXXJMPEHAG-GFJIZPEISA-N 0 1 264.369 2.501 20 30 CFEDMN CC(C)(C)C[N@H+](CC(=O)[O-])CC1CCC(C#N)CC1 ZINC000903408789 621363772 /nfs/dbraw/zinc/36/37/72/621363772.db2.gz NCIWJMMYVXCZBL-UHFFFAOYSA-N 0 1 266.385 2.749 20 30 CFEDMN C[C@@H]1CC[N@@H+](Cc2cc(Cl)cc(C#N)c2)C[C@@H]1C(=O)[O-] ZINC000903409632 621364308 /nfs/dbraw/zinc/36/43/08/621364308.db2.gz WSWYZCJWOJJBPM-YGRLFVJLSA-N 0 1 292.766 2.754 20 30 CFEDMN C[C@H](NCCOC1CCSCC1)c1cc(C#N)ccn1 ZINC000903445315 621384185 /nfs/dbraw/zinc/38/41/85/621384185.db2.gz HCCJXPCILHTVIM-LBPRGKRZSA-N 0 1 291.420 2.516 20 30 CFEDMN N#CC1(CCCC[N@@H+]2CCC[C@H](C(=O)[O-])C2)CCC1 ZINC000903697281 621420400 /nfs/dbraw/zinc/42/04/00/621420400.db2.gz IPVQVVORPLIUQP-ZDUSSCGKSA-N 0 1 264.369 2.647 20 30 CFEDMN N#CC1(CCCC[N@@H+]2CCCC[C@@H]2C(=O)[O-])CCC1 ZINC000903697029 621420447 /nfs/dbraw/zinc/42/04/47/621420447.db2.gz GHSGMJVETDSUGT-CYBMUJFWSA-N 0 1 264.369 2.790 20 30 CFEDMN C[C@H]1C[N@@H+](CCCCC2(C#N)CCC2)CC[C@H]1C(=O)[O-] ZINC000903707254 621423574 /nfs/dbraw/zinc/42/35/74/621423574.db2.gz UMHUAGPHYVLEOE-UONOGXRCSA-N 0 1 278.396 2.893 20 30 CFEDMN C=CC[C@H](C)[N@H+]1CCOc2c(cccc2C(=O)[O-])C1 ZINC000903927869 621475255 /nfs/dbraw/zinc/47/52/55/621475255.db2.gz NPHSKXNZGDHZSS-NSHDSACASA-N 0 1 261.321 2.544 20 30 CFEDMN C=CCCCC[N@@H+]1CC[C@H](C(=O)[O-])C[C@@H]1[C@H]1CCCO1 ZINC000903945049 621483867 /nfs/dbraw/zinc/48/38/67/621483867.db2.gz UQRPPEFSNQDAJO-RRFJBIMHSA-N 0 1 281.396 2.687 20 30 CFEDMN CN(CC(=O)N(O)Cc1ccccc1Cl)C1CCC1 ZINC000904193291 621546960 /nfs/dbraw/zinc/54/69/60/621546960.db2.gz NKINMNDHYUYYQY-UHFFFAOYSA-N 0 1 282.771 2.542 20 30 CFEDMN CCCCN(O)C(=O)[C@@H](NC(C)C)c1ccc(OC)cc1 ZINC000904214724 621555133 /nfs/dbraw/zinc/55/51/33/621555133.db2.gz KPCNJUQRXFRBGX-HNNXBMFYSA-N 0 1 294.395 2.752 20 30 CFEDMN C=CCC[N@H+](C)Cc1ccc(N2CCC(C(=O)[O-])CC2)o1 ZINC000904236106 621557546 /nfs/dbraw/zinc/55/75/46/621557546.db2.gz WZGYPAXPQJZEOD-UHFFFAOYSA-N 0 1 292.379 2.589 20 30 CFEDMN C=C(C)CC[N@H+](C)[C@@H](C(=O)[O-])c1cccc(OC)c1 ZINC000905373004 621755442 /nfs/dbraw/zinc/75/54/42/621755442.db2.gz UAWQRYREWPFKHW-CQSZACIVSA-N 0 1 263.337 2.719 20 30 CFEDMN CCCn1cc(C(C)=NNc2cc(F)c(F)cc2F)nn1 ZINC000905447191 621767148 /nfs/dbraw/zinc/76/71/48/621767148.db2.gz SYYIFYMFQHLTSE-UHFFFAOYSA-N 0 1 297.284 2.942 20 30 CFEDMN Cc1nn(C)c(CN=Nc2cc(C)ccn2)c1Cl ZINC000905448876 621767377 /nfs/dbraw/zinc/76/73/77/621767377.db2.gz HRMWKMZYUJHGSH-UHFFFAOYSA-N 0 1 263.732 2.531 20 30 CFEDMN Cc1nn(C)c(C=N[N-]c2cc(C)cc[nH+]2)c1Cl ZINC000905448876 621767378 /nfs/dbraw/zinc/76/73/78/621767378.db2.gz HRMWKMZYUJHGSH-UHFFFAOYSA-N 0 1 263.732 2.531 20 30 CFEDMN Cc1cc(NN=Cc2cn(C)nc2C2CCCC2)nc(C)n1 ZINC000905439598 621772374 /nfs/dbraw/zinc/77/23/74/621772374.db2.gz NLSTWHRSMIYTGM-UHFFFAOYSA-N 0 1 298.394 2.931 20 30 CFEDMN CCCn1cc(C(C)N=Nc2c(C)cccc2F)nn1 ZINC000905461233 621778553 /nfs/dbraw/zinc/77/85/53/621778553.db2.gz FTZJPOPYOJFCTJ-UHFFFAOYSA-N 0 1 275.331 2.972 20 30 CFEDMN CCOCc1nc(C)cc(N=NCc2cc(C)oc2C)n1 ZINC000905500791 621782546 /nfs/dbraw/zinc/78/25/46/621782546.db2.gz DFEOHBVPFFJNCM-UHFFFAOYSA-N 0 1 288.351 2.977 20 30 CFEDMN C=CCNC(=O)[C@H](C)N[C@H](CC)c1cc(F)ccc1OC ZINC000905861526 621881353 /nfs/dbraw/zinc/88/13/53/621881353.db2.gz HRQBQAHKDDNOLJ-SMDDNHRTSA-N 0 1 294.370 2.566 20 30 CFEDMN CC[C@](O)(CN(C)Cc1ccc(C#N)cc1)C(F)(F)F ZINC000905903593 621893314 /nfs/dbraw/zinc/89/33/14/621893314.db2.gz HYAPWFDAQDYAED-ZDUSSCGKSA-N 0 1 286.297 2.693 20 30 CFEDMN C#CCN(C(=O)c1ccc(CN(CC)CC)o1)C(C)(C)C ZINC000906273732 621965281 /nfs/dbraw/zinc/96/52/81/621965281.db2.gz DGEZKOJKGHMUGX-UHFFFAOYSA-N 0 1 290.407 2.995 20 30 CFEDMN C=C1CCN(C(=O)c2n[nH]c(C)c2C(F)(F)F)CC1 ZINC000906580437 622014786 /nfs/dbraw/zinc/01/47/86/622014786.db2.gz NRBGODPISOYSIJ-UHFFFAOYSA-N 0 1 273.258 2.529 20 30 CFEDMN N#C[C@]1(C(=O)N[C@@H]2CCCc3cn[nH]c32)CC2CCC1CC2 ZINC000907046040 622079193 /nfs/dbraw/zinc/07/91/93/622079193.db2.gz YVVHPRVMCWNIEJ-RAQJGYKDSA-N 0 1 298.390 2.623 20 30 CFEDMN C=C(C)[C@@H]1OCC[C@@H]1C(=O)Nc1nc2ccc(C)cc2[nH]1 ZINC000908361627 622221144 /nfs/dbraw/zinc/22/11/44/622221144.db2.gz OCNAPFSDLUHIKJ-FZMZJTMJSA-N 0 1 285.347 2.791 20 30 CFEDMN C=CCCC(=O)[C@H]1CCCN1C(=O)[C@@H](CC)N(CC)CC ZINC000908647472 622254091 /nfs/dbraw/zinc/25/40/91/622254091.db2.gz DBJWZLDIIMSIQC-HUUCEWRRSA-N 0 1 294.439 2.633 20 30 CFEDMN C=CCCC(=O)[C@@H]1CCCN1C(=O)[C@H](CC)N(CC)CC ZINC000908647471 622254170 /nfs/dbraw/zinc/25/41/70/622254170.db2.gz DBJWZLDIIMSIQC-GJZGRUSLSA-N 0 1 294.439 2.633 20 30 CFEDMN C=CCCC(=O)[C@@H]1CCCN1C(=O)c1cccc2c[nH]nc21 ZINC000908641155 622259226 /nfs/dbraw/zinc/25/92/26/622259226.db2.gz AVXDPGYGSXREFO-AWEZNQCLSA-N 0 1 297.358 2.703 20 30 CFEDMN CCC[C@@H](C)CC(=O)[C@H](C#N)C(=O)NC1CCCC1 ZINC000155491255 622271418 /nfs/dbraw/zinc/27/14/18/622271418.db2.gz MNPXKCLYISBIHY-YPMHNXCESA-N 0 1 264.369 2.580 20 30 CFEDMN C#CCN1CCC(C(=O)OCc2ccccc2CF)CC1 ZINC000909007512 622294032 /nfs/dbraw/zinc/29/40/32/622294032.db2.gz NHTTVQDKZWPPMA-UHFFFAOYSA-N 0 1 289.350 2.545 20 30 CFEDMN CC[C@@H](C)N1CCN(C(=O)c2cc(C)c(C#N)c(C)c2)CC1 ZINC000909262650 622334054 /nfs/dbraw/zinc/33/40/54/622334054.db2.gz VHPYISIJVUERAD-OAHLLOKOSA-N 0 1 299.418 2.731 20 30 CFEDMN C=C[C@@H](CC)CC(=O)Nc1n[nH]c2cc(O)ccc21 ZINC000820176030 622621368 /nfs/dbraw/zinc/62/13/68/622621368.db2.gz WDYRPRPTTNJXCV-VIFPVBQESA-N 0 1 259.309 2.809 20 30 CFEDMN Fc1cc2[nH]c([N-]N=Cc3ccccn3)[nH+]c2cc1F ZINC000912817759 622782666 /nfs/dbraw/zinc/78/26/66/622782666.db2.gz MWJZLWVCOKKXTG-UHFFFAOYSA-N 0 1 273.246 2.682 20 30 CFEDMN Fc1cc2nc(NN=Cc3ccccn3)[nH]c2cc1F ZINC000912817759 622782675 /nfs/dbraw/zinc/78/26/75/622782675.db2.gz MWJZLWVCOKKXTG-UHFFFAOYSA-N 0 1 273.246 2.682 20 30 CFEDMN C=CCC1(C(=O)N2CC[C@H](N3CCC3)C2)CCCCC1 ZINC000912904557 622798401 /nfs/dbraw/zinc/79/84/01/622798401.db2.gz REGBRHRWUGQHRU-HNNXBMFYSA-N 0 1 276.424 2.820 20 30 CFEDMN Oc1c(Cl)cc(Cl)cc1CN=Nc1cnccn1 ZINC000912961211 622805413 /nfs/dbraw/zinc/80/54/13/622805413.db2.gz DMMGYKDTYYXERW-UHFFFAOYSA-N 0 1 283.118 2.935 20 30 CFEDMN C#C[C@](C)(CC)NC(=O)c1ccc(CN2CCCCC2)o1 ZINC000821003552 622816632 /nfs/dbraw/zinc/81/66/32/622816632.db2.gz CPHWGKIFTDGTRL-QGZVFWFLSA-N 0 1 288.391 2.797 20 30 CFEDMN C#CC[C@H](CO)NCc1ccc(-c2ccc(F)cc2C)o1 ZINC000821207223 622867894 /nfs/dbraw/zinc/86/78/94/622867894.db2.gz MLCIPVYYHBBSAQ-CQSZACIVSA-N 0 1 287.334 2.868 20 30 CFEDMN CC1(C(=O)Nc2cc(C#N)ccc2O)CC(F)(F)C1 ZINC000821349409 622902206 /nfs/dbraw/zinc/90/22/06/622902206.db2.gz QZBSHPSUBWSZGT-UHFFFAOYSA-N 0 1 266.247 2.638 20 30 CFEDMN CC(C)C#CC(=O)N1CCc2nc[nH]c2[C@H]1c1ccccc1 ZINC000913511430 622909307 /nfs/dbraw/zinc/90/93/07/622909307.db2.gz UCRKBWZTRYMQOB-GOSISDBHSA-N 0 1 293.370 2.543 20 30 CFEDMN Cc1cccc2c1[C@H](C)C[C@H]2CC(=O)NCC#CCN(C)C ZINC000913522076 622910979 /nfs/dbraw/zinc/91/09/79/622910979.db2.gz YRARWXBVODFASS-CVEARBPZSA-N 0 1 298.430 2.657 20 30 CFEDMN CC[C@@H](CC(=O)NCC#CCN(C)C)c1ccc(C)cc1 ZINC000913518875 622911007 /nfs/dbraw/zinc/91/10/07/622911007.db2.gz DSXBKHBHHUOEKP-INIZCTEOSA-N 0 1 286.419 2.560 20 30 CFEDMN CCCCCCNC(=O)C(C#N)C(=O)[C@@H](CC)SC ZINC000156440500 622940906 /nfs/dbraw/zinc/94/09/06/622940906.db2.gz WVCKGIILQFFNBG-NWDGAFQWSA-N 0 1 284.425 2.533 20 30 CFEDMN C=CCc1cc(CN2CCOC[C@H]2CC)c(O)c(OC)c1 ZINC000164358894 622949974 /nfs/dbraw/zinc/94/99/74/622949974.db2.gz BSCRPDCWBUNJKF-OAHLLOKOSA-N 0 1 291.391 2.740 20 30 CFEDMN CC(=O)Nc1ccc(/C=C/C(=O)c2ccc(O)cc2O)cc1 ZINC000156638649 622952929 /nfs/dbraw/zinc/95/29/29/622952929.db2.gz OOJSSEDJBRVSED-RUDMXATFSA-N 0 1 297.310 2.952 20 30 CFEDMN COC(=O)c1cc(/C=C/C(=O)c2ccc(C)cc2O)c[nH]1 ZINC000156708406 622956132 /nfs/dbraw/zinc/95/61/32/622956132.db2.gz QJOJAPXLJYYGFG-GQCTYLIASA-N 0 1 285.299 2.711 20 30 CFEDMN N#Cc1cnc(Cl)c(CN[C@@H]2CCC(F)(F)C2)c1 ZINC000877106179 623076358 /nfs/dbraw/zinc/07/63/58/623076358.db2.gz VQFVLPMHBRJWPT-SNVBAGLBSA-N 0 1 271.698 2.884 20 30 CFEDMN CS[C@@H](C)C(=O)C(C#N)c1nc2ccccc2o1 ZINC000171402998 623221022 /nfs/dbraw/zinc/22/10/22/623221022.db2.gz RNZADUBUPPCQGK-DTWKUNHWSA-N 0 1 260.318 2.756 20 30 CFEDMN CCCCCCC[C@H](C)CNC(=O)C1=NC(=O)N(C)C1 ZINC000823062038 623226123 /nfs/dbraw/zinc/22/61/23/623226123.db2.gz IPZIRUDEMGONSV-LBPRGKRZSA-N 0 1 281.400 2.852 20 30 CFEDMN C#C[C@@H](CC)NCc1cc2c(cc1OC)C[C@@H](C)O2 ZINC000229895281 623231218 /nfs/dbraw/zinc/23/12/18/623231218.db2.gz CQYGIKWGJMUYIS-RISCZKNCSA-N 0 1 259.349 2.520 20 30 CFEDMN C#CCOc1ccc(CN[C@H](C)c2ccccn2)cc1 ZINC000172111678 623263156 /nfs/dbraw/zinc/26/31/56/623263156.db2.gz FERSQEWUKGOMBL-CQSZACIVSA-N 0 1 266.344 2.944 20 30 CFEDMN CCCCCCCC[C@@H](C)C(=O)NCc1nnc[nH]1 ZINC000823513642 623338535 /nfs/dbraw/zinc/33/85/35/623338535.db2.gz JTWICGYSCQFXMG-GFCCVEGCSA-N 0 1 266.389 2.808 20 30 CFEDMN C=C(CC)CN1C[C@@H]2CCN(C(=O)OC(C)(C)C)C[C@@H]21 ZINC000823529909 623341272 /nfs/dbraw/zinc/34/12/72/623341272.db2.gz PQPNVJZHWFIBSK-KBPBESRZSA-N 0 1 280.412 2.894 20 30 CFEDMN CCOC(CN(C)[C@H](C)c1cccc(C#N)c1)OCC ZINC000823617747 623363115 /nfs/dbraw/zinc/36/31/15/623363115.db2.gz MEJHPMSLALITOB-CYBMUJFWSA-N 0 1 276.380 2.950 20 30 CFEDMN CCCC(=O)N1C[C@H](NCc2ccccc2C#N)C(C)(C)C1 ZINC000995344117 625648398 /nfs/dbraw/zinc/64/83/98/625648398.db2.gz ZQJXJPDENVHJLL-INIZCTEOSA-N 0 1 299.418 2.685 20 30 CFEDMN C=CCCCN(C)CN1C[C@H](CC(C)C)CC1=O ZINC000174078177 623385210 /nfs/dbraw/zinc/38/52/10/623385210.db2.gz RTMIXKRQMSJRAA-CQSZACIVSA-N 0 1 252.402 2.737 20 30 CFEDMN C=CCCOCCNCc1ccnc(Cl)c1F ZINC000824050602 623440234 /nfs/dbraw/zinc/44/02/34/623440234.db2.gz HSBWXMMNOWDQFK-UHFFFAOYSA-N 0 1 258.724 2.556 20 30 CFEDMN C=CC[N@H+]1CC[C@@]2(NC(=O)[C@@H]3C[C@H]3CCC)CCC[C@@H]12 ZINC000992157388 623472922 /nfs/dbraw/zinc/47/29/22/623472922.db2.gz AIKRPDZBILVJDY-ANQUJSFKSA-N 0 1 276.424 2.722 20 30 CFEDMN CC(C)CC(=NNc1cncnc1)c1ccncc1 ZINC000842533049 623478824 /nfs/dbraw/zinc/47/88/24/623478824.db2.gz KHXREAPBQPERIW-UHFFFAOYSA-N 0 1 255.325 2.734 20 30 CFEDMN C#C[C@@H](NCc1cc2c(cc1OC)C[C@H](C)O2)C(C)C ZINC000312163675 623497286 /nfs/dbraw/zinc/49/72/86/623497286.db2.gz WQCMZZSPIZAIPN-SWLSCSKDSA-N 0 1 273.376 2.766 20 30 CFEDMN COC(=O)C1(C#N)CCN(C[C@@H]2C[C@H]2c2ccccc2)CC1 ZINC000824867081 623581166 /nfs/dbraw/zinc/58/11/66/623581166.db2.gz LNTBXANJHYUYOO-HOTGVXAUSA-N 0 1 298.386 2.569 20 30 CFEDMN C#CCN1CC[C@]2(NC(=O)c3cc(C)ccc3C)CCC[C@@H]12 ZINC000992464681 623581434 /nfs/dbraw/zinc/58/14/34/623581434.db2.gz QMWVFXBIMLYHSR-IEBWSBKVSA-N 0 1 296.414 2.663 20 30 CFEDMN C#CCOc1ccc(CNCc2cc(OC)cc(C)n2)cc1 ZINC000824926152 623590606 /nfs/dbraw/zinc/59/06/06/623590606.db2.gz KUCDKTVGPJOUKM-UHFFFAOYSA-N 0 1 296.370 2.700 20 30 CFEDMN C=C(Cl)CN[C@@H]1CN(C(=O)c2ccccc2)CC1(C)C ZINC000995374839 625663520 /nfs/dbraw/zinc/66/35/20/625663520.db2.gz UMTRERKCJVFALG-CQSZACIVSA-N 0 1 292.810 2.879 20 30 CFEDMN C#Cc1cccc(CNCc2c(CC)nn(C)c2CC)c1 ZINC000825227651 623653828 /nfs/dbraw/zinc/65/38/28/623653828.db2.gz WNLQFYZIQXQKNB-UHFFFAOYSA-N 0 1 281.403 2.816 20 30 CFEDMN C#CCN(Cc1ccc(O[C@H](C)COC)cc1)C1CC1 ZINC000825519203 623708144 /nfs/dbraw/zinc/70/81/44/623708144.db2.gz AWRCMPSSAYFAHF-CQSZACIVSA-N 0 1 273.376 2.698 20 30 CFEDMN C=CCN(C(=O)c1cc2[nH]cnc2cc1F)C(C)C ZINC000826075282 623790464 /nfs/dbraw/zinc/79/04/64/623790464.db2.gz SIOVCQWNJHQVQJ-UHFFFAOYSA-N 0 1 261.300 2.739 20 30 CFEDMN C=CCN1CCC[C@@H](NC(=O)c2sccc2C)[C@@H]1C ZINC000992943680 623813777 /nfs/dbraw/zinc/81/37/77/623813777.db2.gz HDFMPIXBJDULLH-QWHCGFSZSA-N 0 1 278.421 2.825 20 30 CFEDMN C=CC[N@@H+]1CCC[C@@H](NC(=O)c2ccccc2F)[C@@H]1C ZINC000992980011 623825103 /nfs/dbraw/zinc/82/51/03/623825103.db2.gz HSKIPKRWGBYCFI-SWLSCSKDSA-N 0 1 276.355 2.594 20 30 CFEDMN C=CCN1CCC[C@@H](NC(=O)c2ccccc2F)[C@@H]1C ZINC000992980011 623825110 /nfs/dbraw/zinc/82/51/10/623825110.db2.gz HSKIPKRWGBYCFI-SWLSCSKDSA-N 0 1 276.355 2.594 20 30 CFEDMN CC#CCN1CCC[C@@H](NC(=O)c2ccccc2C)[C@@H]1C ZINC000992990241 623832677 /nfs/dbraw/zinc/83/26/77/623832677.db2.gz ZJXBKWLTWAAYTR-DOTOQJQBSA-N 0 1 284.403 2.601 20 30 CFEDMN C=CCN1CCC[C@H](NC(=O)c2ccccc2C)[C@H]1C ZINC000992988871 623833249 /nfs/dbraw/zinc/83/32/49/623833249.db2.gz HYHPPYOCUTYIOK-ZBFHGGJFSA-N 0 1 272.392 2.764 20 30 CFEDMN N#Cc1sccc1N1CCN(Cc2ccccc2O)CC1 ZINC000826893917 623904441 /nfs/dbraw/zinc/90/44/41/623904441.db2.gz GQRIGUSMLUDGIR-UHFFFAOYSA-N 0 1 299.399 2.648 20 30 CFEDMN CCC(=NNCCN1CCCCC1)c1ccsc1 ZINC000834940865 623908591 /nfs/dbraw/zinc/90/85/91/623908591.db2.gz RTPISGJOKFUAAI-UHFFFAOYSA-N 0 1 265.426 2.938 20 30 CFEDMN C[C@H]1CCN(Cc2ccccc2)CC1N=Nc1ccncn1 ZINC000835002233 623926400 /nfs/dbraw/zinc/92/64/00/623926400.db2.gz SUJYZQINKNPSTA-AWEZNQCLSA-N 0 1 295.390 2.787 20 30 CFEDMN CC(=O)OC1CCN(CC#Cc2ccc(Cl)cc2)CC1 ZINC000153320164 623926944 /nfs/dbraw/zinc/92/69/44/623926944.db2.gz NOUIEZTWMGFXLX-UHFFFAOYSA-N 0 1 291.778 2.719 20 30 CFEDMN COCC#CCN1CC=C(c2ccc(C)cc2)CC1 ZINC000762915409 623929811 /nfs/dbraw/zinc/92/98/11/623929811.db2.gz ACYLILBYEFWJCC-UHFFFAOYSA-N 0 1 255.361 2.734 20 30 CFEDMN C[C@H]1CC(=NOC[C@H]2CCOC2)CN1Cc1ccccc1 ZINC000788034665 623973154 /nfs/dbraw/zinc/97/31/54/623973154.db2.gz VAOINZNHGAHCFP-HOCLYGCPSA-N 0 1 288.391 2.690 20 30 CFEDMN C[C@H](CC#N)C(=O)N[C@@H](C)c1nc2ccc(Cl)cc2[nH]1 ZINC000827347318 623992111 /nfs/dbraw/zinc/99/21/11/623992111.db2.gz ONUIPSQSMSKSBB-BDAKNGLRSA-N 0 1 290.754 2.943 20 30 CFEDMN C#C[C@H](NCc1ccc(F)c(F)c1F)C1CCOCC1 ZINC000827555658 624030154 /nfs/dbraw/zinc/03/01/54/624030154.db2.gz YREHJCGOBBSABH-ZDUSSCGKSA-N 0 1 283.293 2.622 20 30 CFEDMN CCCCCC[C@](C)(CCC)C(=O)N[C@@H]1CNC[C@@H]1C#N ZINC000834490320 625694001 /nfs/dbraw/zinc/69/40/01/625694001.db2.gz UEIQBTUXENSOFB-UXLLHSPISA-N 0 1 293.455 2.991 20 30 CFEDMN CC#CCN1CCC[C@@H](NC(=O)c2ccsc2C)[C@@H]1C ZINC000993308233 624074620 /nfs/dbraw/zinc/07/46/20/624074620.db2.gz ALAYEJOPNLXUDE-SWLSCSKDSA-N 0 1 290.432 2.663 20 30 CFEDMN C=CCN1CCC[C@H](NC(=O)c2cc(C)cs2)[C@@H]1C ZINC000993314943 624084046 /nfs/dbraw/zinc/08/40/46/624084046.db2.gz PWPJXFBBDVXIFS-STQMWFEESA-N 0 1 278.421 2.825 20 30 CFEDMN C#CCCN(CCOC)Cc1cnc(C)n1-c1ccccc1 ZINC000827822684 624102529 /nfs/dbraw/zinc/10/25/29/624102529.db2.gz BRFGHPJXROPHIB-UHFFFAOYSA-N 0 1 297.402 2.652 20 30 CFEDMN C#CCCN(CCOC)Cc1ccc(SC)s1 ZINC000827827784 624105091 /nfs/dbraw/zinc/10/50/91/624105091.db2.gz YEWNVBGOBBCSTF-UHFFFAOYSA-N 0 1 269.435 2.942 20 30 CFEDMN N#Cc1ccc(O)c(NC(=O)[C@]2(C#N)CC23CCCC3)c1 ZINC000827828818 624104989 /nfs/dbraw/zinc/10/49/89/624104989.db2.gz GCKOVAZRXFOECF-MRXNPFEDSA-N 0 1 281.315 2.676 20 30 CFEDMN CC(C)(C(=O)Nc1cc(C#N)ccc1O)C(C)(F)F ZINC000827830404 624105045 /nfs/dbraw/zinc/10/50/45/624105045.db2.gz YJAJXCXZOXTULW-UHFFFAOYSA-N 0 1 268.263 2.884 20 30 CFEDMN C=CCN1CCC[C@H](NC(=O)c2conc2C(C)C)[C@H]1C ZINC000993419851 624139238 /nfs/dbraw/zinc/13/92/38/624139238.db2.gz WWFBXEMFDUWWFM-OCCSQVGLSA-N 0 1 291.395 2.567 20 30 CFEDMN C=CCN1CCC[C@@H](NC(=O)c2ccnc(C3CC3)c2)[C@H]1C ZINC000993536051 624150751 /nfs/dbraw/zinc/15/07/51/624150751.db2.gz KTXBYBSVTLUOQQ-CZUORRHYSA-N 0 1 299.418 2.728 20 30 CFEDMN C=CCN1CCC[C@@H](NC(=O)C2CC3(CCC3)C2)[C@H]1C ZINC000993676733 624158097 /nfs/dbraw/zinc/15/80/97/624158097.db2.gz SNGGPWBRAKPYMM-UKRRQHHQSA-N 0 1 276.424 2.722 20 30 CFEDMN CC#CCN1CCC[C@H](NC(=O)C2(C3CC3)CCC2)[C@H]1C ZINC000993671832 624158130 /nfs/dbraw/zinc/15/81/30/624158130.db2.gz VDSVQUCPOAGUEJ-ZBFHGGJFSA-N 0 1 288.435 2.559 20 30 CFEDMN C=CCN1CCC[C@@H](NC(=O)c2cccc(F)c2F)[C@H]1C ZINC000993715959 624161245 /nfs/dbraw/zinc/16/12/45/624161245.db2.gz NDBJIJGPHNTKGY-BXUZGUMPSA-N 0 1 294.345 2.734 20 30 CFEDMN C=C1CCC(C(=O)N[C@H]2CCCN(CC#CC)[C@@H]2C)CC1 ZINC000993774615 624167843 /nfs/dbraw/zinc/16/78/43/624167843.db2.gz NAEAQOJASXDOQB-WBVHZDCISA-N 0 1 288.435 2.725 20 30 CFEDMN C=CCN1CCC[C@@H](NC(=O)c2cc(C)ccc2F)[C@@H]1C ZINC000993857232 624170489 /nfs/dbraw/zinc/17/04/89/624170489.db2.gz DEGFNRHGWXGVNT-XJKSGUPXSA-N 0 1 290.382 2.903 20 30 CFEDMN CC#CCN1CCC[C@H](NC(=O)c2c(C)cccc2C)[C@H]1C ZINC000993862508 624171132 /nfs/dbraw/zinc/17/11/32/624171132.db2.gz QLVGACXCUQDXBB-SJORKVTESA-N 0 1 298.430 2.909 20 30 CFEDMN C#CCN1CCC[C@H](NC(=O)CC2CCCCCC2)[C@H]1C ZINC000993885421 624172666 /nfs/dbraw/zinc/17/26/66/624172666.db2.gz IADKMHMBQFSZIW-WBVHZDCISA-N 0 1 290.451 2.949 20 30 CFEDMN C=CCN1CCC[C@H](NC(=O)c2ccc(C)cc2F)[C@@H]1C ZINC000993870345 624173791 /nfs/dbraw/zinc/17/37/91/624173791.db2.gz GACZPQYMAAUPDM-BBRMVZONSA-N 0 1 290.382 2.903 20 30 CFEDMN C=CCN1CCC[C@@H](NC(=O)c2ccc3cc[nH]c3c2)[C@@H]1C ZINC000993904567 624174077 /nfs/dbraw/zinc/17/40/77/624174077.db2.gz PZOHOZFIGNFQAW-XJKSGUPXSA-N 0 1 297.402 2.937 20 30 CFEDMN C=CCN1CCC[C@H](NC(=O)c2cc(C)c(CC)o2)[C@H]1C ZINC000994209680 624183239 /nfs/dbraw/zinc/18/32/39/624183239.db2.gz NYZVWTKOIFGSJP-KGLIPLIRSA-N 0 1 290.407 2.919 20 30 CFEDMN CC(C)(C)n1cc(C=NNc2nc3ccccc3[nH]2)cn1 ZINC000915937234 624194915 /nfs/dbraw/zinc/19/49/15/624194915.db2.gz NYYZYBIPVMXXKR-UHFFFAOYSA-N 0 1 282.351 2.960 20 30 CFEDMN CC(=N[N-]c1[nH+]c2ccccc2n1C)c1ccccn1 ZINC000915967510 624195902 /nfs/dbraw/zinc/19/59/02/624195902.db2.gz JNNXERNBPXXNLK-UHFFFAOYSA-N 0 1 265.320 2.804 20 30 CFEDMN c1ccc2c(c1)SCCC2=NNCCN1CCCCC1 ZINC000915973506 624198621 /nfs/dbraw/zinc/19/86/21/624198621.db2.gz JZYBEBDIKBSLNK-UHFFFAOYSA-N 0 1 289.448 2.962 20 30 CFEDMN c1ccc2c(c1)CCC(=NNCCN1CCCCC1)C2 ZINC000915974047 624198890 /nfs/dbraw/zinc/19/88/90/624198890.db2.gz BBLAGVCLRFGFSY-UHFFFAOYSA-N 0 1 271.408 2.607 20 30 CFEDMN C[C@@H]1C[C@@H]1c1ccc(C=NNCCN2CCCCC2)o1 ZINC000915974570 624200075 /nfs/dbraw/zinc/20/00/75/624200075.db2.gz INYQRFWUIMYQDJ-HIFRSBDPSA-N 0 1 275.396 2.812 20 30 CFEDMN COc1ccc(O)c(C(C)=NNc2ccccn2)c1 ZINC000916276037 624234473 /nfs/dbraw/zinc/23/44/73/624234473.db2.gz HTODJYCUEZFDHB-UHFFFAOYSA-N 0 1 257.293 2.632 20 30 CFEDMN CC(C)=CCC[C@@H](C)CC=Nn1c(=O)c(C)n[nH]c1=S ZINC000916303521 624237393 /nfs/dbraw/zinc/23/73/93/624237393.db2.gz KXGVSVTUROUHIG-LLVKDONJSA-N 0 1 294.424 2.842 20 30 CFEDMN Cc1ccc(C=Nn2c(=S)[nH]nc2C(F)(F)F)s1 ZINC000916304704 624237622 /nfs/dbraw/zinc/23/76/22/624237622.db2.gz AIRXMGFAAXIMHQ-UHFFFAOYSA-N 0 1 292.311 2.838 20 30 CFEDMN C=C(C)CN1CC[C@@H](NC(=O)c2cc(C)cc(F)c2)C1 ZINC001015739016 624276110 /nfs/dbraw/zinc/27/61/10/624276110.db2.gz LXQNMXHOTJNIDS-OAHLLOKOSA-N 0 1 276.355 2.514 20 30 CFEDMN C#CCN1CCC[C@H](NC(=O)c2cccc(C)c2C)[C@@H]1C ZINC000994323559 624276228 /nfs/dbraw/zinc/27/62/28/624276228.db2.gz BJCIKGZJJFXKPR-RDJZCZTQSA-N 0 1 284.403 2.519 20 30 CFEDMN C=CCN1CCC[C@H](NC(=O)c2ccc(F)cc2F)[C@H]1C ZINC000994334598 624276942 /nfs/dbraw/zinc/27/69/42/624276942.db2.gz YYUHWPWUELOMKH-ABAIWWIYSA-N 0 1 294.345 2.734 20 30 CFEDMN CC#CC[N@H+]1CCC[C@@H](NC(=O)c2ccc(C)c(C)c2)[C@@H]1C ZINC000994357590 624278114 /nfs/dbraw/zinc/27/81/14/624278114.db2.gz XSSBBISMSFUNLG-FUHWJXTLSA-N 0 1 298.430 2.909 20 30 CFEDMN CC#CCN1CCC[C@@H](NC(=O)c2ccc(C)c(C)c2)[C@@H]1C ZINC000994357590 624278121 /nfs/dbraw/zinc/27/81/21/624278121.db2.gz XSSBBISMSFUNLG-FUHWJXTLSA-N 0 1 298.430 2.909 20 30 CFEDMN CC#CCN1CCC[C@@H](NC(=O)Cc2ccccc2C)[C@@H]1C ZINC000994400859 624292768 /nfs/dbraw/zinc/29/27/68/624292768.db2.gz NCRYWBIPBALMSX-FUHWJXTLSA-N 0 1 298.430 2.530 20 30 CFEDMN C=CCN(CC(=O)N[C@@H](C)c1ccc(F)cc1)C(C)C ZINC000917069140 624306562 /nfs/dbraw/zinc/30/65/62/624306562.db2.gz JIYGDVBWWKMQTR-ZDUSSCGKSA-N 0 1 278.371 2.899 20 30 CFEDMN C=CCN(CC(=O)N(C)Cc1ccccc1)C(C)C ZINC000917070450 624306627 /nfs/dbraw/zinc/30/66/27/624306627.db2.gz BOWQRPDGKZIVNK-UHFFFAOYSA-N 0 1 260.381 2.541 20 30 CFEDMN C=CCN(CC(=O)N(C)C1(C#N)CCCCC1)C(C)C ZINC000917069854 624306765 /nfs/dbraw/zinc/30/67/65/624306765.db2.gz YAZDEVWLMVDNIA-UHFFFAOYSA-N 0 1 277.412 2.568 20 30 CFEDMN C#C[C@H](NCc1ccc(Cl)c(OC)c1)[C@H]1CCCO1 ZINC000828954893 624340271 /nfs/dbraw/zinc/34/02/71/624340271.db2.gz YCKRLUYSHROARV-UONOGXRCSA-N 0 1 279.767 2.619 20 30 CFEDMN CC(=NNC(=N)N)c1ccc(Oc2ccccc2)c(F)c1 ZINC000917546093 624352447 /nfs/dbraw/zinc/35/24/47/624352447.db2.gz OBYYPMYCAWKXSJ-UHFFFAOYSA-N 0 1 286.310 2.825 20 30 CFEDMN C=CC1(CC(=O)NC[C@@H]2CCN2CC)CCCCC1 ZINC000829450382 624435557 /nfs/dbraw/zinc/43/55/57/624435557.db2.gz RDGYZMYXTSYKPF-AWEZNQCLSA-N 0 1 264.413 2.723 20 30 CFEDMN C#CC[C@H]1CCCN(CC(=O)Nc2ccc3c(c2)CCC3)C1 ZINC000829773685 624531159 /nfs/dbraw/zinc/53/11/59/624531159.db2.gz ICGJCUYTRBHWBW-HNNXBMFYSA-N 0 1 296.414 2.849 20 30 CFEDMN C#CC[C@H]1CCCN([C@@H](C)c2nc(-c3cccnc3)no2)C1 ZINC000829778555 624532755 /nfs/dbraw/zinc/53/27/55/624532755.db2.gz DWCVDDTXMPTLPI-KBPBESRZSA-N 0 1 296.374 2.928 20 30 CFEDMN C#CC[C@H]1CCCN(Cc2cnc(OC)c(Cl)c2)C1 ZINC000829805991 624546579 /nfs/dbraw/zinc/54/65/79/624546579.db2.gz YURVRKCILFVMEC-LBPRGKRZSA-N 0 1 278.783 2.979 20 30 CFEDMN C#CC[C@H]1CCCN([C@H](C)C(=O)c2c[nH]c3ncccc23)C1 ZINC000829811201 624550900 /nfs/dbraw/zinc/55/09/00/624550900.db2.gz ZLHWNMDNJVLXRS-KGLIPLIRSA-N 0 1 295.386 2.869 20 30 CFEDMN C#CC[C@H]1CCCN(Cc2cc(C(=O)OC)ccc2F)C1 ZINC000829811129 624550945 /nfs/dbraw/zinc/55/09/45/624550945.db2.gz YKAXEGTWVZJURP-ZDUSSCGKSA-N 0 1 289.350 2.848 20 30 CFEDMN C#CC[C@H]1CCCN(Cc2cccc(F)c2C#N)C1 ZINC000829815589 624553833 /nfs/dbraw/zinc/55/38/33/624553833.db2.gz OVEBZQZRGLLYAD-ZDUSSCGKSA-N 0 1 256.324 2.933 20 30 CFEDMN N#CC[C@@]1(O)CCN([C@@H]2CCc3cc(Cl)ccc32)C1 ZINC000829998028 624596837 /nfs/dbraw/zinc/59/68/37/624596837.db2.gz GOCJNFUVYPFFHE-HUUCEWRRSA-N 0 1 276.767 2.678 20 30 CFEDMN CC(C)(CCC(=O)C(C#N)C(=O)NC1CC1)c1ccccc1 ZINC000155140750 624647243 /nfs/dbraw/zinc/64/72/43/624647243.db2.gz RVHMRSALCQCZJG-OAHLLOKOSA-N 0 1 298.386 2.732 20 30 CFEDMN CC(C)(CCC(=O)C(C#N)C(=O)NC1CC1)c1ccccc1 ZINC000155140857 624648438 /nfs/dbraw/zinc/64/84/38/624648438.db2.gz RVHMRSALCQCZJG-HNNXBMFYSA-N 0 1 298.386 2.732 20 30 CFEDMN C#CCN1CCC(NC(=O)c2ccccc2C2(C)CC2)CC1 ZINC000830163216 624652456 /nfs/dbraw/zinc/65/24/56/624652456.db2.gz WBBMGDFEGIMVFW-UHFFFAOYSA-N 0 1 296.414 2.566 20 30 CFEDMN C#CC1CCN(CC(=O)N[C@@H](C)c2ccc(CC)cc2)CC1 ZINC000830301144 624703459 /nfs/dbraw/zinc/70/34/59/624703459.db2.gz GSQVSRVTHACTPE-HNNXBMFYSA-N 0 1 298.430 2.771 20 30 CFEDMN C#CC1CCN(CC(=O)N[C@H](c2ccccc2)C(C)C)CC1 ZINC000830305745 624704581 /nfs/dbraw/zinc/70/45/81/624704581.db2.gz TVNKTJUWWDVIPG-IBGZPJMESA-N 0 1 298.430 2.845 20 30 CFEDMN C#CC1CCN(CC(=O)N[C@@H](CCC)c2ccccc2)CC1 ZINC000830311497 624706041 /nfs/dbraw/zinc/70/60/41/624706041.db2.gz NUGAGSNYYIFNGF-SFHVURJKSA-N 0 1 298.430 2.989 20 30 CFEDMN C#CC1CCN([C@@H](C)C(=O)Nc2ccc(C)c(F)c2)CC1 ZINC000830316211 624706216 /nfs/dbraw/zinc/70/62/16/624706216.db2.gz ISIULRDQYXVEGW-ZDUSSCGKSA-N 0 1 288.366 2.806 20 30 CFEDMN C#CC1CCN(CC(=O)Nc2ccc(CC)cc2)CC1 ZINC000830330381 624711083 /nfs/dbraw/zinc/71/10/83/624711083.db2.gz XHXVMKADNUMSQJ-UHFFFAOYSA-N 0 1 270.376 2.533 20 30 CFEDMN C=CCC[C@@H](NC(=O)C1=NC(=O)N(C)C1)c1ccccc1 ZINC000830681810 624814103 /nfs/dbraw/zinc/81/41/03/624814103.db2.gz UVQJZNCOHJVCCB-CYBMUJFWSA-N 0 1 285.347 2.563 20 30 CFEDMN C#C[C@H]1CCCC[C@H]1OC(=O)c1cccc(-c2nnc[nH]2)c1 ZINC000851536289 634416349 /nfs/dbraw/zinc/41/63/49/634416349.db2.gz GKVHIIWAKDNOEH-SWLSCSKDSA-N 0 1 295.342 2.821 20 30 CFEDMN CN(C)c1ccc(CNCc2csc(C#N)c2)cc1 ZINC000921495921 624901894 /nfs/dbraw/zinc/90/18/94/624901894.db2.gz JLRMYQACBJJNDK-UHFFFAOYSA-N 0 1 271.389 2.976 20 30 CFEDMN C=C1CCC(CNC(=O)[C@H]2c3cn[nH]c3CC[C@@H]2C)CC1 ZINC000830980858 624945685 /nfs/dbraw/zinc/94/56/85/624945685.db2.gz ZROZJCUATMXZGO-BLLLJJGKSA-N 0 1 287.407 2.938 20 30 CFEDMN COC(=O)c1ccc(/C=C/C(=O)c2ccc(O)c(F)c2)o1 ZINC000170851700 624962044 /nfs/dbraw/zinc/96/20/44/624962044.db2.gz CXRSAOYYPWFWMY-ZZXKWVIFSA-N 0 1 290.246 2.807 20 30 CFEDMN C#CCCCCC(=O)NC[C@@H](c1cccs1)N(C)C ZINC000179640583 624970411 /nfs/dbraw/zinc/97/04/11/624970411.db2.gz JSELCBXLZCGEAK-ZDUSSCGKSA-N 0 1 278.421 2.661 20 30 CFEDMN CC(C)c1cc([C@H]2CCCN(C(=O)C#CC3CC3)C2)n[nH]1 ZINC000831886358 625167094 /nfs/dbraw/zinc/16/70/94/625167094.db2.gz YYSOUWWNRRXCIJ-AWEZNQCLSA-N 0 1 285.391 2.653 20 30 CFEDMN C=C(Cl)CN[C@H]1CN(C(=O)CC2(C)CC2)CC1(C)C ZINC000996046942 625869464 /nfs/dbraw/zinc/86/94/64/625869464.db2.gz FYPYOOWGMWKDGZ-LBPRGKRZSA-N 0 1 284.831 2.756 20 30 CFEDMN C=C(Cl)CN[C@@H]1CN(C(=O)C2(C)CC(=C)C2)CC1(C)C ZINC000996252972 625886483 /nfs/dbraw/zinc/88/64/83/625886483.db2.gz DITHTUVICAWYFT-CYBMUJFWSA-N 0 1 296.842 2.922 20 30 CFEDMN C=C(Cl)CN[C@H]1CN(C(=O)C2(C)CC=CC2)CC1(C)C ZINC000996236885 625889772 /nfs/dbraw/zinc/88/97/72/625889772.db2.gz QFNKRIZEWNSQFZ-ZDUSSCGKSA-N 0 1 296.842 2.922 20 30 CFEDMN C=C(C)C[N@H+]1CC[C@H](NC(=O)c2ccc3cnccc3c2)C1 ZINC001015953542 625901579 /nfs/dbraw/zinc/90/15/79/625901579.db2.gz DYZGBVFDBNOCBV-KRWDZBQOSA-N 0 1 295.386 2.615 20 30 CFEDMN C=C(C)CN1CC[C@H](NC(=O)c2ccc3cnccc3c2)C1 ZINC001015953542 625901582 /nfs/dbraw/zinc/90/15/82/625901582.db2.gz DYZGBVFDBNOCBV-KRWDZBQOSA-N 0 1 295.386 2.615 20 30 CFEDMN C#CCOc1ccc(CN[C@H](C)c2c[nH]nc2C)cc1 ZINC000834893686 625911546 /nfs/dbraw/zinc/91/15/46/625911546.db2.gz WCMIZIKGLJPNMI-GFCCVEGCSA-N 0 1 269.348 2.581 20 30 CFEDMN C#Cc1cccc(CN[C@H](c2nccn2C)C2CC2)c1 ZINC000834903958 625916596 /nfs/dbraw/zinc/91/65/96/625916596.db2.gz UIIDIOWFXXEOSQ-INIZCTEOSA-N 0 1 265.360 2.642 20 30 CFEDMN C#C[C@@H](C)N(C)Cc1cc(Cl)c2c(c1)OCCO2 ZINC000769963585 625934936 /nfs/dbraw/zinc/93/49/36/625934936.db2.gz WUNCGLQYYUQFFS-SNVBAGLBSA-N 0 1 265.740 2.565 20 30 CFEDMN CCn1cc(C=NNc2cc(C(F)(F)F)ccn2)cn1 ZINC000834984097 625945499 /nfs/dbraw/zinc/94/54/99/625945499.db2.gz NRHDBLIWPCVGLS-UHFFFAOYSA-N 0 1 283.257 2.763 20 30 CFEDMN Cc1n[nH]c(C)c1C=NNc1cc(C(F)(F)F)ccn1 ZINC000834984172 625945861 /nfs/dbraw/zinc/94/58/61/625945861.db2.gz QGLHJCHMQYLSII-UHFFFAOYSA-N 0 1 283.257 2.886 20 30 CFEDMN C[C@H](NCc1cnn(CCF)c1)c1ccc(C#N)cc1 ZINC000921516109 625965579 /nfs/dbraw/zinc/96/55/79/625965579.db2.gz KXVTXGQPSZUDLR-LBPRGKRZSA-N 0 1 272.327 2.575 20 30 CFEDMN CCN(C(C)=O)[C@H]1CCCN(CC#Cc2ccccc2)CC1 ZINC000997899492 626018729 /nfs/dbraw/zinc/01/87/29/626018729.db2.gz NMXZEWQERWVFNK-IBGZPJMESA-N 0 1 298.430 2.761 20 30 CFEDMN C=CCC[N@@H+]1CC[C@H](NC(=O)c2c(F)cccc2Cl)C1 ZINC001016074566 626027066 /nfs/dbraw/zinc/02/70/66/626027066.db2.gz IVPSEMUAHBSCJV-NSHDSACASA-N 0 1 296.773 2.859 20 30 CFEDMN C=C(Cl)CN[C@H]1CCCN(C(=O)/C=C(/C)C2CC2)C1 ZINC000998634838 626058848 /nfs/dbraw/zinc/05/88/48/626058848.db2.gz MHPWFWBALUEVKG-MSKHEQNASA-N 0 1 282.815 2.676 20 30 CFEDMN C=C(Cl)CN[C@H]1CCCN(C(=O)C2CC(C)(C)C2)C1 ZINC000999063609 626065992 /nfs/dbraw/zinc/06/59/92/626065992.db2.gz DVMQDTXINXIBRZ-ZDUSSCGKSA-N 0 1 284.831 2.756 20 30 CFEDMN C=C(Cl)CN[C@@H]1CCCN(C(=O)C2(C3CC3)CC2)C1 ZINC000999442970 626073589 /nfs/dbraw/zinc/07/35/89/626073589.db2.gz LTJZWEYEBFNDML-CYBMUJFWSA-N 0 1 282.815 2.510 20 30 CFEDMN C=C(Cl)CN[C@@H]1CCCN(C(=O)[C@H]2CCCC23CC3)C1 ZINC000999506498 626074878 /nfs/dbraw/zinc/07/48/78/626074878.db2.gz PIUMZSLFSNGZNI-ZIAGYGMSSA-N 0 1 296.842 2.900 20 30 CFEDMN C=C(Cl)CN[C@H]1CCCN(C(=O)[C@@H]2CCCC23CC3)C1 ZINC000999506467 626075025 /nfs/dbraw/zinc/07/50/25/626075025.db2.gz PIUMZSLFSNGZNI-KBPBESRZSA-N 0 1 296.842 2.900 20 30 CFEDMN C=C(Cl)CN[C@@H]1CCCN(C(=O)Cc2ccccc2)C1 ZINC000999526601 626075791 /nfs/dbraw/zinc/07/57/91/626075791.db2.gz ZMZADTXAVIUGCY-OAHLLOKOSA-N 0 1 292.810 2.562 20 30 CFEDMN C=C(Cl)CN[C@@H]1CCCN(C(=O)[C@@H](C)C(F)(F)F)C1 ZINC000999892939 626082386 /nfs/dbraw/zinc/08/23/86/626082386.db2.gz FZKNYKACKKCQRC-NXEZZACHSA-N 0 1 298.736 2.518 20 30 CFEDMN C=C(Cl)CN[C@H]1CCCN(C(=O)[C@@H]2CCC2(C)C)C1 ZINC000999924942 626084247 /nfs/dbraw/zinc/08/42/47/626084247.db2.gz CMWZMWYGACDUQL-STQMWFEESA-N 0 1 284.831 2.756 20 30 CFEDMN C=CC[C@@H](NCc1c2c(nn1C)CCC2)c1ccncc1 ZINC000921747375 626104613 /nfs/dbraw/zinc/10/46/13/626104613.db2.gz NVFUCBRKPVYXDP-OAHLLOKOSA-N 0 1 282.391 2.711 20 30 CFEDMN C=C(Cl)CN[C@H]1CCCN(C(=O)[C@@H]2CC23CCC3)C1 ZINC001000324699 626109029 /nfs/dbraw/zinc/10/90/29/626109029.db2.gz OVKROSXMVHHRBN-STQMWFEESA-N 0 1 282.815 2.510 20 30 CFEDMN CC(C)(C)C(=O)N1CCC[C@H](NCc2ccccc2C#N)C1 ZINC001000754286 626130461 /nfs/dbraw/zinc/13/04/61/626130461.db2.gz PKONGYMBOXBHTC-INIZCTEOSA-N 0 1 299.418 2.685 20 30 CFEDMN CC#CC[N@@H+]1CC=C(CNC(=O)c2ccc(C)cc2C)CC1 ZINC001001420675 626157846 /nfs/dbraw/zinc/15/78/46/626157846.db2.gz SHXPPNUVIVFZKK-UHFFFAOYSA-N 0 1 296.414 2.689 20 30 CFEDMN CC#CCN1CC=C(CNC(=O)c2ccc(C)cc2C)CC1 ZINC001001420675 626157849 /nfs/dbraw/zinc/15/78/49/626157849.db2.gz SHXPPNUVIVFZKK-UHFFFAOYSA-N 0 1 296.414 2.689 20 30 CFEDMN C=CC[N@@H+]1CC=C(CNC(=O)[C@H]2C[C@H](C)C[C@H](C)C2)CC1 ZINC001001485932 626159369 /nfs/dbraw/zinc/15/93/69/626159369.db2.gz IKGBUMUFAHYPCJ-QLPKVWCKSA-N 0 1 290.451 2.993 20 30 CFEDMN C#CC[N@@H+]1CC=C(CNC(=O)c2cccc(C3CC3)c2)CC1 ZINC001001486109 626159384 /nfs/dbraw/zinc/15/93/84/626159384.db2.gz KCPCOVBOWUZJEW-UHFFFAOYSA-N 0 1 294.398 2.559 20 30 CFEDMN C#CCN1CC=C(CNC(=O)c2cccc(C3CC3)c2)CC1 ZINC001001486109 626159387 /nfs/dbraw/zinc/15/93/87/626159387.db2.gz KCPCOVBOWUZJEW-UHFFFAOYSA-N 0 1 294.398 2.559 20 30 CFEDMN C#CC[C@H](NCc1cnn(CCF)c1)c1ccccc1 ZINC000921937025 626180854 /nfs/dbraw/zinc/18/08/54/626180854.db2.gz WHPBZXJJQVGCJK-INIZCTEOSA-N 0 1 271.339 2.707 20 30 CFEDMN CC(C)c1nc([C@H](C)NCc2csc(C#N)c2)n[nH]1 ZINC000921945055 626182832 /nfs/dbraw/zinc/18/28/32/626182832.db2.gz FWWWIBVUOXPSDI-VIFPVBQESA-N 0 1 275.381 2.712 20 30 CFEDMN CO[C@H](C)[C@H](C)NCc1cc(C#N)ccc1Br ZINC000922037988 626199667 /nfs/dbraw/zinc/19/96/67/626199667.db2.gz GSAWLYFHOZZNHE-VHSXEESVSA-N 0 1 297.196 2.834 20 30 CFEDMN N#Cc1ccc(CNCc2ccc3c(c2)CCCO3)nc1 ZINC000922034222 626199824 /nfs/dbraw/zinc/19/98/24/626199824.db2.gz FUSXGSBFTHCDRL-UHFFFAOYSA-N 0 1 279.343 2.568 20 30 CFEDMN N#CCc1ccc(CNCc2cccc3c2OCC3)cc1 ZINC000922206703 626239869 /nfs/dbraw/zinc/23/98/69/626239869.db2.gz FACAROBQBCVAFQ-UHFFFAOYSA-N 0 1 278.355 2.977 20 30 CFEDMN C/C=C\CNCc1cc(C#N)ccc1Br ZINC000922295389 626262369 /nfs/dbraw/zinc/26/23/69/626262369.db2.gz ZLBOPYBEAALUEV-IHWYPQMZSA-N 0 1 265.154 2.986 20 30 CFEDMN CC#CCN1CCC(NC(=O)c2ccc(C)c(C)c2)CC1 ZINC001004084430 626282336 /nfs/dbraw/zinc/28/23/36/626282336.db2.gz GGOWCZLGUDLVAL-UHFFFAOYSA-N 0 1 284.403 2.521 20 30 CFEDMN CC#CCN1CCC(NC(=O)c2cc(C)c(C)s2)CC1 ZINC001004109155 626283495 /nfs/dbraw/zinc/28/34/95/626283495.db2.gz KNSZXGFMRDMGQD-UHFFFAOYSA-N 0 1 290.432 2.582 20 30 CFEDMN CC#CCN1CCC(NC(=O)[C@H]2C[C@H](C)C[C@H](C)C2)CC1 ZINC001004224671 626313445 /nfs/dbraw/zinc/31/34/45/626313445.db2.gz QHWCCXKNMRDMAP-ZSHCYNCHSA-N 0 1 290.451 2.663 20 30 CFEDMN Cc1cnc(CNC(C)(C)Cc2ccc(C#N)cc2)o1 ZINC000922604896 626323610 /nfs/dbraw/zinc/32/36/10/626323610.db2.gz ZVJDRYRFYTZENP-UHFFFAOYSA-N 0 1 269.348 2.966 20 30 CFEDMN COCc1cc(CNC(C)(C)Cc2ccc(C#N)cc2)no1 ZINC000922604736 626323640 /nfs/dbraw/zinc/32/36/40/626323640.db2.gz XITQVIYIGMPIGB-UHFFFAOYSA-N 0 1 299.374 2.804 20 30 CFEDMN C#CCN1CCC(NC(=O)N[C@@H](CCC)C(C)(C)C)CC1 ZINC000922700550 626345553 /nfs/dbraw/zinc/34/55/53/626345553.db2.gz QYKPSFUQVLMWRH-HNNXBMFYSA-N 0 1 293.455 2.598 20 30 CFEDMN CC#CCN1CCC(N(C)C(=O)C2CCCCC2)CC1 ZINC001005058421 626407671 /nfs/dbraw/zinc/40/76/71/626407671.db2.gz MGPNXAOMGVLSEN-UHFFFAOYSA-N 0 1 276.424 2.513 20 30 CFEDMN C#CCN1CCC(N(C)C(=O)[C@@H]2CCC=CCCC2)CC1 ZINC001005577288 626417773 /nfs/dbraw/zinc/41/77/73/626417773.db2.gz AWVXINSOQINFRE-MRXNPFEDSA-N 0 1 288.435 2.679 20 30 CFEDMN CC#CCN1CCC(N(C)C(=O)C[C@@H]2CC=CCC2)CC1 ZINC001005834396 626429034 /nfs/dbraw/zinc/42/90/34/626429034.db2.gz USPQSYUANHOGJG-MRXNPFEDSA-N 0 1 288.435 2.679 20 30 CFEDMN C=CCN(Cc1cccc(C#N)c1)C[C@@H]1COC(C)(C)O1 ZINC000851738789 634502700 /nfs/dbraw/zinc/50/27/00/634502700.db2.gz RUXAWGUQDZVHCN-MRXNPFEDSA-N 0 1 286.375 2.698 20 30 CFEDMN CCc1onc(C)c1CNCc1ccc(C#N)cc1 ZINC000922987179 626439901 /nfs/dbraw/zinc/43/99/01/626439901.db2.gz BECZPKYFVQWGSH-UHFFFAOYSA-N 0 1 255.321 2.707 20 30 CFEDMN C#CCC1(NCc2nccn2Cc2ccccc2)CCC1 ZINC000922997905 626441141 /nfs/dbraw/zinc/44/11/41/626441141.db2.gz NYPXOIFXPYNCAC-UHFFFAOYSA-N 0 1 279.387 2.967 20 30 CFEDMN CC#CCN1CCC(N(C)C(=O)[C@H]2CCC[C@@H]2CC)CC1 ZINC001005948748 626453460 /nfs/dbraw/zinc/45/34/60/626453460.db2.gz PJTONXRNGIWLNO-RDJZCZTQSA-N 0 1 290.451 2.759 20 30 CFEDMN C#CCN1CCC(N(C)C(=O)c2ccsc2Cl)CC1 ZINC001006084744 626473377 /nfs/dbraw/zinc/47/33/77/626473377.db2.gz UEYSNLGUQVXJCL-UHFFFAOYSA-N 0 1 296.823 2.571 20 30 CFEDMN C#CCOc1ccccc1NC(=O)c1cccc2cn[nH]c21 ZINC000187173020 626475237 /nfs/dbraw/zinc/47/52/37/626475237.db2.gz RDMRKXJEMVBZGX-UHFFFAOYSA-N 0 1 291.310 2.827 20 30 CFEDMN C#CCN1CCC(N(C)C(=O)[C@H]2C[C@]2(CC)C(C)C)CC1 ZINC001006213401 626480616 /nfs/dbraw/zinc/48/06/16/626480616.db2.gz ZVOKRFVLFAIZIO-SJLPKXTDSA-N 0 1 290.451 2.615 20 30 CFEDMN C#CCN1CCC(N(C)C(=O)c2ccc(C(C)C)cc2)CC1 ZINC001006328122 626483092 /nfs/dbraw/zinc/48/30/92/626483092.db2.gz TWMQQTHLDHICLL-UHFFFAOYSA-N 0 1 298.430 2.980 20 30 CFEDMN CCCCCNC(=O)C(C#N)C(=O)[C@H](CC)CC(F)F ZINC000838788704 626506848 /nfs/dbraw/zinc/50/68/48/626506848.db2.gz VDJIDJRONQYJFW-GHMZBOCLSA-N 0 1 288.338 2.683 20 30 CFEDMN CCCCCNC(=O)C(C#N)C(=O)[C@H](CC)CC(F)F ZINC000838788709 626506878 /nfs/dbraw/zinc/50/68/78/626506878.db2.gz VDJIDJRONQYJFW-MNOVXSKESA-N 0 1 288.338 2.683 20 30 CFEDMN CC(C)(C)C1CC(C(=O)C(C#N)C(=O)NC2CCCC2)C1 ZINC000838790824 626507046 /nfs/dbraw/zinc/50/70/46/626507046.db2.gz KKRAADJPCDLQOO-ORHYLEIMSA-N 0 1 290.407 2.826 20 30 CFEDMN CCO[C@@H]1C[C@H](NCc2cc(C#N)ccc2F)[C@@H]1SC ZINC000838966946 626517389 /nfs/dbraw/zinc/51/73/89/626517389.db2.gz JJFYPOUGRVTNSO-ZNMIVQPWSA-N 0 1 294.395 2.696 20 30 CFEDMN C#C[C@@H](NCc1ccc(C2CC2)cc1)[C@H]1CCCO1 ZINC000839016666 626520790 /nfs/dbraw/zinc/52/07/90/626520790.db2.gz BRJUHQUKBZPIOF-IAGOWNOFSA-N 0 1 255.361 2.834 20 30 CFEDMN C=CC[C@@H]1N(Cc2cnn(CC)n2)CCCC1(C)C ZINC000839061881 626522557 /nfs/dbraw/zinc/52/25/57/626522557.db2.gz MZLVZCJHKBHBHG-AWEZNQCLSA-N 0 1 262.401 2.865 20 30 CFEDMN C#C[C@H](N[C@@H]1C[C@@H](OCC)[C@H]1SC)c1ccc(F)cc1 ZINC000839111874 626525560 /nfs/dbraw/zinc/52/55/60/626525560.db2.gz ZETHEKIUSFTKIJ-JJXSEGSLSA-N 0 1 293.407 2.999 20 30 CFEDMN C[C@H](C#N)Oc1ccc(CN2CC3(C2)CCCOC3)cc1 ZINC000839137447 626528197 /nfs/dbraw/zinc/52/81/97/626528197.db2.gz FAYGUAGQZRBPLH-CQSZACIVSA-N 0 1 286.375 2.590 20 30 CFEDMN C#CCCOc1ccc(CN2CC3(C2)CCCOC3)cc1 ZINC000839139264 626528239 /nfs/dbraw/zinc/52/82/39/626528239.db2.gz ZHOCSIJXUFBKFV-UHFFFAOYSA-N 0 1 285.387 2.701 20 30 CFEDMN CCCCCCCCC(=O)N1CCN(C[C@@H](C)O)C[C@@H]1C ZINC000788157284 626538665 /nfs/dbraw/zinc/53/86/65/626538665.db2.gz UHADNFOINPGHIE-JKSUJKDBSA-N 0 1 298.471 2.651 20 30 CFEDMN COC(=O)c1ccc(/C=C/C(=O)c2cc(F)ccc2O)[nH]1 ZINC000757469128 626552895 /nfs/dbraw/zinc/55/28/95/626552895.db2.gz ZNYUWPVDVRMQLR-QPJJXVBHSA-N 0 1 289.262 2.542 20 30 CFEDMN C[C@H]1CC(N=Nc2cnccn2)CN1Cc1ccccc1 ZINC000757586651 626556031 /nfs/dbraw/zinc/55/60/31/626556031.db2.gz PHJHEFSUQMPTDJ-ZDUSSCGKSA-N 0 1 281.363 2.539 20 30 CFEDMN COCCON=Cc1cc(Cl)c(O)cc1Cl ZINC000758116457 626577262 /nfs/dbraw/zinc/57/72/62/626577262.db2.gz GCAKKKRBTQVOOW-UHFFFAOYSA-N 0 1 264.108 2.696 20 30 CFEDMN CCC(CC)N(Cn1ccc(C)c(C#N)c1=O)C1CC1 ZINC000758188315 626580815 /nfs/dbraw/zinc/58/08/15/626580815.db2.gz CLNULMRFCHSQIB-UHFFFAOYSA-N 0 1 273.380 2.639 20 30 CFEDMN CCC[C@H]1[C@@H](C)CCCN1Cn1cccc(C#N)c1=O ZINC000758232282 626584082 /nfs/dbraw/zinc/58/40/82/626584082.db2.gz POQDJIZQRWVBDU-ZFWWWQNUSA-N 0 1 273.380 2.578 20 30 CFEDMN CCC[C@H](C)[C@@H]1CCCN1Cn1ccc(C)c(C#N)c1=O ZINC000758237990 626584628 /nfs/dbraw/zinc/58/46/28/626584628.db2.gz IJZBNKPJZOBVHD-HOCLYGCPSA-N 0 1 287.407 2.887 20 30 CFEDMN CCC[C@H](C)[C@H]1CCCN1Cn1ccc(C)c(C#N)c1=O ZINC000758237989 626584655 /nfs/dbraw/zinc/58/46/55/626584655.db2.gz IJZBNKPJZOBVHD-GOEBONIOSA-N 0 1 287.407 2.887 20 30 CFEDMN C[C@@H]1CN(Cc2ccccc2)CC1=NOCC(F)F ZINC000758905003 626616780 /nfs/dbraw/zinc/61/67/80/626616780.db2.gz ZIDPFYAPQOSVLR-LLVKDONJSA-N 0 1 268.307 2.776 20 30 CFEDMN Cc1cc(C(C#N)C(=O)C[C@@H](C)c2ccncc2)nc(C)n1 ZINC000759206748 626637124 /nfs/dbraw/zinc/63/71/24/626637124.db2.gz RGEWEHJKRYIIHQ-IAQYHMDHSA-N 0 1 294.358 2.859 20 30 CFEDMN C#CCN1CCC[C@H]1COC(=O)C[C@@H](C=C)c1ccccc1 ZINC000759323728 626644819 /nfs/dbraw/zinc/64/48/19/626644819.db2.gz JAYRVLKZYCOITP-AEFFLSMTSA-N 0 1 297.398 2.987 20 30 CFEDMN C#CCN1CCC[C@H]1COC(=O)C[C@H](C=C)c1ccccc1 ZINC000759323740 626644911 /nfs/dbraw/zinc/64/49/11/626644911.db2.gz JAYRVLKZYCOITP-WMZOPIPTSA-N 0 1 297.398 2.987 20 30 CFEDMN N#CC(C(=O)c1cc(Cl)cs1)c1ccncn1 ZINC000759641222 626679219 /nfs/dbraw/zinc/67/92/19/626679219.db2.gz AZFZDJUMLYFZMU-QMMMGPOBSA-N 0 1 263.709 2.682 20 30 CFEDMN CCCCCCNC(=O)C(C#N)C(=O)[C@@H]1CC12CCC2 ZINC000759822203 626694059 /nfs/dbraw/zinc/69/40/59/626694059.db2.gz SDQJVPVMDRMACZ-STQMWFEESA-N 0 1 276.380 2.582 20 30 CFEDMN C[C@@H]1CN(Cc2ccccc2)CC1N=Nc1ncc(F)cn1 ZINC000760245981 626723819 /nfs/dbraw/zinc/72/38/19/626723819.db2.gz AWUNKPQOQVFGRH-GFCCVEGCSA-N 0 1 299.353 2.536 20 30 CFEDMN C#CCCCCCOC(=O)c1cccc2[nH]ncc21 ZINC000760276468 626728213 /nfs/dbraw/zinc/72/82/13/626728213.db2.gz MFNHQGUEJQPZKX-UHFFFAOYSA-N 0 1 256.305 2.913 20 30 CFEDMN C#CCCNc1ccccc1CN1C[C@@H](C)O[C@@H](C)C1 ZINC000760289431 626730324 /nfs/dbraw/zinc/73/03/24/626730324.db2.gz IGXVQUVTYQSLRX-GASCZTMLSA-N 0 1 272.392 2.731 20 30 CFEDMN N#C[C@H](C(=O)[C@H]1C[C@H]1c1cc(F)ccc1F)c1ccncn1 ZINC000760331688 626735150 /nfs/dbraw/zinc/73/51/50/626735150.db2.gz AXHJNJFLJVQYHG-DRZSPHRISA-N 0 1 299.280 2.735 20 30 CFEDMN N#CC(C(=O)C=CSCc1ccco1)c1ccncn1 ZINC000760340887 626737139 /nfs/dbraw/zinc/73/71/39/626737139.db2.gz OXMXYUJYTBMMPH-DJFZKKHWSA-N 0 1 285.328 2.693 20 30 CFEDMN N#CC(C(=O)CCCOCc1ccccc1)c1ccncn1 ZINC000760343664 626737708 /nfs/dbraw/zinc/73/77/08/626737708.db2.gz DAGMWOPRLXFWSQ-HNNXBMFYSA-N 0 1 295.342 2.650 20 30 CFEDMN C#CCCN(C)[C@@H](c1cnn(C)c1)c1cccc(F)c1 ZINC000760844247 626777033 /nfs/dbraw/zinc/77/70/33/626777033.db2.gz NYWOEGUFBLIYLH-MRXNPFEDSA-N 0 1 271.339 2.604 20 30 CFEDMN C#CCN1CCC(C(=O)N2CCC(CC(C)C)CC2)CC1 ZINC000760945839 626786669 /nfs/dbraw/zinc/78/66/69/626786669.db2.gz OGHDVHSNWURGJO-UHFFFAOYSA-N 0 1 290.451 2.616 20 30 CFEDMN C=CCN(Cc1cccs1)C(=O)[C@H](C)N1CC[C@@H]2C[C@@H]21 ZINC000761086332 626800384 /nfs/dbraw/zinc/80/03/84/626800384.db2.gz NRZNMOCVFSKEPP-GUTXKFCHSA-N 0 1 290.432 2.745 20 30 CFEDMN C#CCOCCN(C)[C@@H](C)c1ccccc1Cl ZINC000761110692 626806019 /nfs/dbraw/zinc/80/60/19/626806019.db2.gz UMIIDZJNZYVHGT-LBPRGKRZSA-N 0 1 251.757 2.983 20 30 CFEDMN CCOC(=O)c1csc(C(C#N)C(=O)C2=CCCC2)n1 ZINC000761111514 626806637 /nfs/dbraw/zinc/80/66/37/626806637.db2.gz PSJDXWNSHRITTA-SNVBAGLBSA-N 0 1 290.344 2.606 20 30 CFEDMN C[C@@H]1CC(N=Nc2ccc([N+](=O)[O-])cc2Cl)CN1C ZINC000761811288 626860593 /nfs/dbraw/zinc/86/05/93/626860593.db2.gz YNRMZVVJWSSGOU-MRVPVSSYSA-N 0 1 282.731 2.740 20 30 CFEDMN CCSc1cccc(CN=Nc2cnn(C)c2)c1 ZINC000761863566 626866278 /nfs/dbraw/zinc/86/62/78/626866278.db2.gz AJBQCTDRWVXFHI-UHFFFAOYSA-N 0 1 260.366 2.978 20 30 CFEDMN Cc1[nH]c2ccc(F)cc2c1C=NNc1cnn(C)c1 ZINC000761867556 626867089 /nfs/dbraw/zinc/86/70/89/626867089.db2.gz SHZPCPONGVKJEX-UHFFFAOYSA-N 0 1 271.299 2.795 20 30 CFEDMN C[C@@H]1CCN(Cc2ccccc2)CC1N=Nc1cnn(C)c1 ZINC000761866916 626867217 /nfs/dbraw/zinc/86/72/17/626867217.db2.gz RVJWYGQPUYJMPT-CQSZACIVSA-N 0 1 297.406 2.730 20 30 CFEDMN Cc1nc(-c2ccccc2)[nH]c1C(=O)OC1(C#N)CCC1 ZINC000762090896 626889001 /nfs/dbraw/zinc/88/90/01/626889001.db2.gz FOJJMGJWRQSECF-UHFFFAOYSA-N 0 1 281.315 2.988 20 30 CFEDMN COC(CCN1CCC[C@H]1[C@H](C#N)c1ccccc1)OC ZINC000851793450 634532007 /nfs/dbraw/zinc/53/20/07/634532007.db2.gz DQXJYCIDNCWYFJ-CVEARBPZSA-N 0 1 288.391 2.767 20 30 CFEDMN CC(C)CCN(CCC#N)CC[C@H]1COC(C)(C)O1 ZINC000851799264 634535099 /nfs/dbraw/zinc/53/50/99/634535099.db2.gz XUGCOCQBFDUPOK-AWEZNQCLSA-N 0 1 268.401 2.790 20 30 CFEDMN Cc1sc(Cl)nc1C(=O)Nc1cc(C#N)ccc1O ZINC000762893879 626947961 /nfs/dbraw/zinc/94/79/61/626947961.db2.gz UBBAYIPXPXAGPM-UHFFFAOYSA-N 0 1 293.735 2.935 20 30 CFEDMN C[C@H]1CC(=NC(=O)c2cc3c(s2)CC[C@H](C)C3)NO1 ZINC000763257320 626973636 /nfs/dbraw/zinc/97/36/36/626973636.db2.gz BOHIONWXJXYAFW-IUCAKERBSA-N 0 1 278.377 2.725 20 30 CFEDMN FC(F)(F)Cn1cc(CNCC#Cc2ccccc2)cn1 ZINC000763433475 626989035 /nfs/dbraw/zinc/98/90/35/626989035.db2.gz KERPGCPZZCMLLX-UHFFFAOYSA-N 0 1 293.292 2.587 20 30 CFEDMN C=C(Cl)CNCc1ccc(O[C@@H](C)C#N)cc1 ZINC000763430257 626989134 /nfs/dbraw/zinc/98/91/34/626989134.db2.gz CHHHQJTUEKGQMH-NSHDSACASA-N 0 1 250.729 2.820 20 30 CFEDMN C=CCN(Cc1cccc(C#N)c1)C[C@H]1CC2(CC2)C(=O)O1 ZINC000763677071 627004945 /nfs/dbraw/zinc/00/49/45/627004945.db2.gz UJBHJXQBJMZKTH-MRXNPFEDSA-N 0 1 296.370 2.642 20 30 CFEDMN C#CCN(CCOc1ccccc1OCC)C1CC1 ZINC000763955707 627026035 /nfs/dbraw/zinc/02/60/35/627026035.db2.gz PMZAUOSFNSLWGZ-UHFFFAOYSA-N 0 1 259.349 2.562 20 30 CFEDMN C#CCN(Cc1ccc(C(=O)OC(C)C)cc1)C1CC1 ZINC000763959850 627027141 /nfs/dbraw/zinc/02/71/41/627027141.db2.gz KRYCFUGLHNUARP-UHFFFAOYSA-N 0 1 271.360 2.849 20 30 CFEDMN N#CCc1ccnc(NC(=O)c2c(O)cccc2Cl)c1 ZINC000764348579 627052718 /nfs/dbraw/zinc/05/27/18/627052718.db2.gz MJQJZCLOOIDKBN-UHFFFAOYSA-N 0 1 287.706 2.759 20 30 CFEDMN C=CCNC(=O)C(C#N)C(=O)[C@H](CC)C1CCC(C)CC1 ZINC000764759763 627091245 /nfs/dbraw/zinc/09/12/45/627091245.db2.gz JRLYMKVPMLVFJF-CVSAEHQPSA-N 0 1 290.407 2.850 20 30 CFEDMN Cc1ccc(C=NNc2ccccc2[N+](=O)[O-])cn1 ZINC000764884732 627104445 /nfs/dbraw/zinc/10/44/45/627104445.db2.gz FGAQJAZWRAFYBZ-UHFFFAOYSA-N 0 1 256.265 2.744 20 30 CFEDMN Cc1ccc(C=NN=c2[nH]c3ccccc3n2C)cn1 ZINC000764904019 627105638 /nfs/dbraw/zinc/10/56/38/627105638.db2.gz HRIALYCOJYEINX-UHFFFAOYSA-N 0 1 265.320 2.723 20 30 CFEDMN Cc1ccc(C=NNc2nnc(-c3ccccc3)n2C)cn1 ZINC000764905551 627105840 /nfs/dbraw/zinc/10/58/40/627105840.db2.gz YEJXYHICHNXNNL-UHFFFAOYSA-N 0 1 292.346 2.632 20 30 CFEDMN CC(C)O[C@@H]1CC(=NNCCN2CCCCC2)C1(C)C ZINC000764905286 627105845 /nfs/dbraw/zinc/10/58/45/627105845.db2.gz SFVAIIFWPQDQJV-OAHLLOKOSA-N 0 1 281.444 2.641 20 30 CFEDMN COc1cc([N+](=O)[O-])ccc1N=NCc1ccc(C)nc1 ZINC000764911428 627106356 /nfs/dbraw/zinc/10/63/56/627106356.db2.gz JQRINMXBAPNZDT-UHFFFAOYSA-N 0 1 286.291 2.753 20 30 CFEDMN CC#CCCN1C[C@@H](C)N(C(=O)OC(C)(C)C)[C@@H](C)C1 ZINC000764959250 627109199 /nfs/dbraw/zinc/10/91/99/627109199.db2.gz BUSRZSMTURDVOF-OKILXGFUSA-N 0 1 280.412 2.730 20 30 CFEDMN C[C@@H]1CC(=NC(=O)c2cc(Cl)nc3ccccc32)NO1 ZINC000765377888 627133670 /nfs/dbraw/zinc/13/36/70/627133670.db2.gz JLDPQZAWCFIPKM-MRVPVSSYSA-N 0 1 289.722 2.740 20 30 CFEDMN CC(N=Nc1ccc(F)cc1F)c1ccnn1C ZINC000765993243 627169656 /nfs/dbraw/zinc/16/96/56/627169656.db2.gz UVAUNWMHHMKCLT-UHFFFAOYSA-N 0 1 250.252 2.534 20 30 CFEDMN Cc1ccc(C#N)c(NCc2n[nH]c(-c3ccccc3)n2)n1 ZINC000766404107 627200374 /nfs/dbraw/zinc/20/03/74/627200374.db2.gz NHELKUUTHSIBKA-UHFFFAOYSA-N 0 1 290.330 2.659 20 30 CFEDMN Cc1ccc(C#N)c(NCc2nc(-c3ccccc3)n[nH]2)n1 ZINC000766404107 627200378 /nfs/dbraw/zinc/20/03/78/627200378.db2.gz NHELKUUTHSIBKA-UHFFFAOYSA-N 0 1 290.330 2.659 20 30 CFEDMN Cc1ccc(C=NNC2=N[C@H]3CCCC[C@@H]3N2)cc1Cl ZINC000766453617 627203826 /nfs/dbraw/zinc/20/38/26/627203826.db2.gz QCTOZFHZCPYGGU-KBPBESRZSA-N 0 1 290.798 2.842 20 30 CFEDMN C#CCCCSc1nc(-c2ccccc2O)n[nH]1 ZINC000766743379 627218752 /nfs/dbraw/zinc/21/87/52/627218752.db2.gz MEDKPIOUZUNILX-UHFFFAOYSA-N 0 1 259.334 2.683 20 30 CFEDMN C#CCCN(CC(F)(F)F)C(=O)c1[nH]nc2ccccc21 ZINC000767154072 627236800 /nfs/dbraw/zinc/23/68/00/627236800.db2.gz FZAVTFASKMSTDM-UHFFFAOYSA-N 0 1 295.264 2.591 20 30 CFEDMN COc1ccc(NN=Cc2cccc(O)c2)c([N+](=O)[O-])c1 ZINC000767798521 627286586 /nfs/dbraw/zinc/28/65/86/627286586.db2.gz WKLOIGXPEYWGMQ-UHFFFAOYSA-N 0 1 287.275 2.755 20 30 CFEDMN CC#CCCCC(=O)Nc1nc(-c2cccs2)n[nH]1 ZINC000767944010 627297277 /nfs/dbraw/zinc/29/72/77/627297277.db2.gz REQWWNBVXFYYGE-UHFFFAOYSA-N 0 1 274.349 2.665 20 30 CFEDMN CC[C@@H]1CO[C@@H](C)CN1Cc1ccc(O[C@H](C)C#N)cc1 ZINC000768174637 627323629 /nfs/dbraw/zinc/32/36/29/627323629.db2.gz ZIVYFBCNTHMACK-IJEWVQPXSA-N 0 1 288.391 2.977 20 30 CFEDMN N#CCN(Cc1cccc(Br)c1O)C1CC1 ZINC000769096862 627402406 /nfs/dbraw/zinc/40/24/06/627402406.db2.gz LMLWZRJDZXZIOD-UHFFFAOYSA-N 0 1 281.153 2.643 20 30 CFEDMN C#Cc1cccc(NC(=O)c2cc(O)cc([N+](=O)[O-])c2)c1 ZINC000769480011 627446412 /nfs/dbraw/zinc/44/64/12/627446412.db2.gz WWGLEIQBLKOJSL-UHFFFAOYSA-N 0 1 282.255 2.534 20 30 CFEDMN Cc1cccc(F)c1N=NCc1cn2cccnc2n1 ZINC000769841623 627480512 /nfs/dbraw/zinc/48/05/12/627480512.db2.gz UBXOYTCBIJTEOT-UHFFFAOYSA-N 0 1 269.283 2.623 20 30 CFEDMN C=C(Cl)CN[C@@H](C)c1ccc2c(c1)CCC(=O)N2 ZINC000773003462 627767199 /nfs/dbraw/zinc/76/71/99/627767199.db2.gz DEMHTDSPTLFNLK-JTQLQIEISA-N 0 1 264.756 2.974 20 30 CFEDMN COc1ccc(CN[C@H](C)c2cnc(C)nc2C)cc1C#N ZINC000773076847 627779037 /nfs/dbraw/zinc/77/90/37/627779037.db2.gz PDQKYEPFLNHEBY-LLVKDONJSA-N 0 1 296.374 2.825 20 30 CFEDMN C#CCOc1ccc([C@@H](C)NCc2cc(C)ncn2)cc1 ZINC000773106136 627784503 /nfs/dbraw/zinc/78/45/03/627784503.db2.gz KFTFLASNNMKZKU-CQSZACIVSA-N 0 1 281.359 2.648 20 30 CFEDMN CC1(C)CCC[C@@H]1C(=O)[C@H](C#N)C(=O)NC1CCCC1 ZINC000773983403 627876321 /nfs/dbraw/zinc/87/63/21/627876321.db2.gz KAWFLTHUOSVRNS-QWHCGFSZSA-N 0 1 276.380 2.580 20 30 CFEDMN C#CCN1CCC[C@H]1COC(=O)[C@H](C)CC(C)(C)C ZINC000774063864 627883689 /nfs/dbraw/zinc/88/36/89/627883689.db2.gz TVMUOBHBVIRXMZ-KGLIPLIRSA-N 0 1 265.397 2.700 20 30 CFEDMN C[C@H](OC(=O)CCCCc1cn[nH]n1)c1cccc(C#N)c1 ZINC000774075396 627884809 /nfs/dbraw/zinc/88/48/09/627884809.db2.gz FDMCNWRUOLCIQV-LBPRGKRZSA-N 0 1 298.346 2.694 20 30 CFEDMN CC(=NNCCN1CCCCC1)c1ccc(Cl)cn1 ZINC000774374379 627919878 /nfs/dbraw/zinc/91/98/78/627919878.db2.gz ZDHFZNOIQNJKKC-UHFFFAOYSA-N 0 1 280.803 2.535 20 30 CFEDMN CN1C(=O)CCc2cc(C=NNc3ccc(F)cn3)ccc21 ZINC000774384188 627920054 /nfs/dbraw/zinc/92/00/54/627920054.db2.gz DQNUBEOBTQEYLI-UHFFFAOYSA-N 0 1 298.321 2.576 20 30 CFEDMN Oc1c(Cl)cccc1C=NOC1CCOCC1 ZINC000774436291 627925612 /nfs/dbraw/zinc/92/56/12/627925612.db2.gz YKGVHGQQAXNBQI-UHFFFAOYSA-N 0 1 255.701 2.575 20 30 CFEDMN CC(C)C(N)=NOCc1cc(Cl)ccc1OCC#N ZINC000774778266 627961558 /nfs/dbraw/zinc/96/15/58/627961558.db2.gz RPUPZXIGNQKOIF-UHFFFAOYSA-N 0 1 281.743 2.897 20 30 CFEDMN Cc1n[nH]c(C(C)C)c1C(=O)OCCCSCC#N ZINC000805534402 627995490 /nfs/dbraw/zinc/99/54/90/627995490.db2.gz FDBPZNZPHGYIBR-UHFFFAOYSA-N 0 1 281.381 2.645 20 30 CFEDMN C#CCOCCN[C@@H](c1ccc(C)cc1)c1ccccn1 ZINC000851999330 634620947 /nfs/dbraw/zinc/62/09/47/634620947.db2.gz KTSQSOWBFHVIIX-SFHVURJKSA-N 0 1 280.371 2.719 20 30 CFEDMN C#C[C@@H](NCc1ccc(OC(F)(F)F)cc1)[C@H]1CCCO1 ZINC000775339980 628011490 /nfs/dbraw/zinc/01/14/90/628011490.db2.gz DZTNKBPRWJCLHW-ZIAGYGMSSA-N 0 1 299.292 2.856 20 30 CFEDMN C#C[C@H](NCc1ccc(Br)cc1)[C@H]1CCCO1 ZINC000775339445 628011973 /nfs/dbraw/zinc/01/19/73/628011973.db2.gz BTZFSESBDWOCPI-UONOGXRCSA-N 0 1 294.192 2.720 20 30 CFEDMN C#C[C@H](NCc1cnc2ccccc2c1)[C@H]1CCCO1 ZINC000775343341 628012196 /nfs/dbraw/zinc/01/21/96/628012196.db2.gz WEHDWOWEZBTROQ-DOTOQJQBSA-N 0 1 266.344 2.505 20 30 CFEDMN C#C[C@@H](NCc1cccc(OC(C)C)c1)[C@@H]1CCCO1 ZINC000775341639 628012288 /nfs/dbraw/zinc/01/22/88/628012288.db2.gz MMDHZOJZAIFHGD-SJORKVTESA-N 0 1 273.376 2.744 20 30 CFEDMN C#C[C@@H](NCc1cccc(OCC=C)c1)[C@@H]1CCCO1 ZINC000775341158 628012425 /nfs/dbraw/zinc/01/24/25/628012425.db2.gz KHNKDJINMCHYIV-SJORKVTESA-N 0 1 271.360 2.522 20 30 CFEDMN C#C[C@H](NCc1ccc(OC(F)F)c(F)c1)[C@@H]1CCCO1 ZINC000775343887 628013250 /nfs/dbraw/zinc/01/32/50/628013250.db2.gz ZGQIPTSQXJOQDB-JSGCOSHPSA-N 0 1 299.292 2.698 20 30 CFEDMN C#C[C@H](NCc1ccc(Cl)c(C)c1)[C@@H]1CCCO1 ZINC000775352274 628014017 /nfs/dbraw/zinc/01/40/17/628014017.db2.gz WGQMHFSNEXQYQU-GJZGRUSLSA-N 0 1 263.768 2.919 20 30 CFEDMN C#C[C@@H](NCc1ccc(Cl)c(C)c1)[C@@H]1CCCO1 ZINC000775352272 628015217 /nfs/dbraw/zinc/01/52/17/628015217.db2.gz WGQMHFSNEXQYQU-CABCVRRESA-N 0 1 263.768 2.919 20 30 CFEDMN C#CC[C@@H](NCC(=O)N(CCC)CCC)c1ccccc1 ZINC000775400350 628020802 /nfs/dbraw/zinc/02/08/02/628020802.db2.gz ZHXMOHKKZGTQMC-QGZVFWFLSA-N 0 1 286.419 2.989 20 30 CFEDMN C#C[C@H](N[C@H](C)c1ccc(C)cc1OC)[C@@H]1CCCO1 ZINC000775571451 628039506 /nfs/dbraw/zinc/03/95/06/628039506.db2.gz HIKRAMJIWPUQNQ-KBMXLJTQSA-N 0 1 273.376 2.835 20 30 CFEDMN C#C[C@H](N[C@@H](C)c1ccc(C)cc1OC)[C@@H]1CCCO1 ZINC000775571449 628039822 /nfs/dbraw/zinc/03/98/22/628039822.db2.gz HIKRAMJIWPUQNQ-BPUTZDHNSA-N 0 1 273.376 2.835 20 30 CFEDMN C#C[C@H](N[C@@H](C)c1cccc([N+](=O)[O-])c1C)[C@H]1CCCO1 ZINC000775574875 628042566 /nfs/dbraw/zinc/04/25/66/628042566.db2.gz SXJDQZSTLNSGFN-DUVNUKRYSA-N 0 1 288.347 2.735 20 30 CFEDMN C=C(C)CCN1CCN(C(=O)OC(C)(C)C)C[C@H]1C ZINC000775600804 628045417 /nfs/dbraw/zinc/04/54/17/628045417.db2.gz KDPCATPQYYKASZ-CYBMUJFWSA-N 0 1 268.401 2.894 20 30 CFEDMN C#C[C@@H](NCc1ccc(C(F)F)cc1)[C@@H]1CCCO1 ZINC000775791641 628068673 /nfs/dbraw/zinc/06/86/73/628068673.db2.gz NHEUTDSQGMADCE-KGLIPLIRSA-N 0 1 265.303 2.895 20 30 CFEDMN C#C[C@@H](NCc1ccc(C(F)F)cc1)[C@H]1CCCO1 ZINC000775791643 628069197 /nfs/dbraw/zinc/06/91/97/628069197.db2.gz NHEUTDSQGMADCE-ZIAGYGMSSA-N 0 1 265.303 2.895 20 30 CFEDMN C#C[C@@H](NCCOc1ccc(SC)cc1)[C@@H]1CCCO1 ZINC000775797121 628069784 /nfs/dbraw/zinc/06/97/84/628069784.db2.gz APLSQLSSKPTKBH-CVEARBPZSA-N 0 1 291.416 2.558 20 30 CFEDMN C[C@H](NCc1ccc(F)cn1)c1ccc(OCC#N)cc1 ZINC000776163638 628108667 /nfs/dbraw/zinc/10/86/67/628108667.db2.gz KLLXVYOKCNUOIN-LBPRGKRZSA-N 0 1 285.322 2.974 20 30 CFEDMN Cc1cc(CN[C@H](C)c2ccc(OCC#N)cc2)ncn1 ZINC000776170891 628110484 /nfs/dbraw/zinc/11/04/84/628110484.db2.gz LJXARAJWWZNCLF-CYBMUJFWSA-N 0 1 282.347 2.538 20 30 CFEDMN CC[C@H](C(=O)OCCC(C)(C)C#N)N(CC)CC ZINC000776385344 628137043 /nfs/dbraw/zinc/13/70/43/628137043.db2.gz DMRNXXCBBFDDJC-GFCCVEGCSA-N 0 1 254.374 2.590 20 30 CFEDMN C=C(C)CN1CCN(C(=O)OC(C)(C)C)[C@H](C)[C@@H]1C ZINC000776606998 628164719 /nfs/dbraw/zinc/16/47/19/628164719.db2.gz QJGCDIKEVKYNQJ-QWHCGFSZSA-N 0 1 268.401 2.892 20 30 CFEDMN CCc1cc(CN[C@H](C)c2ccc(C#N)c(F)c2)n[nH]1 ZINC000776740801 628173311 /nfs/dbraw/zinc/17/33/11/628173311.db2.gz OIUHGKPICOYZHS-SNVBAGLBSA-N 0 1 272.327 2.834 20 30 CFEDMN CCc1cc(CN[C@H](C)c2ccc(C#N)c(F)c2)[nH]n1 ZINC000776740801 628173316 /nfs/dbraw/zinc/17/33/16/628173316.db2.gz OIUHGKPICOYZHS-SNVBAGLBSA-N 0 1 272.327 2.834 20 30 CFEDMN C=CC[N@@H+](C)Cc1c([O-])c(C(=O)OC)cc2ccccc21 ZINC000777541046 628234091 /nfs/dbraw/zinc/23/40/91/628234091.db2.gz NXMQGIFLBOFRNF-UHFFFAOYSA-N 0 1 285.343 2.950 20 30 CFEDMN C=CC[N@H+](C)Cc1c([O-])c(C(=O)OC)cc2ccccc21 ZINC000777541046 628234095 /nfs/dbraw/zinc/23/40/95/628234095.db2.gz NXMQGIFLBOFRNF-UHFFFAOYSA-N 0 1 285.343 2.950 20 30 CFEDMN CCCCCCCC(=O)Nc1cc(C(=O)OCC)[nH]n1 ZINC000777779611 628251796 /nfs/dbraw/zinc/25/17/96/628251796.db2.gz OMQLNTUNRYKSLS-UHFFFAOYSA-N 0 1 281.356 2.885 20 30 CFEDMN Fc1ccc(N=NCc2cccc(Br)n2)nc1 ZINC000777885885 628260961 /nfs/dbraw/zinc/26/09/61/628260961.db2.gz NPKHQMSLFGXOGX-UHFFFAOYSA-N 0 1 295.115 2.824 20 30 CFEDMN Cc1cc(NN=Cc2cc(F)ccc2C)nc(C)n1 ZINC000777882651 628261065 /nfs/dbraw/zinc/26/10/65/628261065.db2.gz FSOLMFZJRBIVCI-UHFFFAOYSA-N 0 1 258.300 2.987 20 30 CFEDMN COc1cccc(O)c1C=NNc1cc(Cl)ccn1 ZINC000777905745 628264166 /nfs/dbraw/zinc/26/41/66/628264166.db2.gz OAZVWKHWTGOFAD-UHFFFAOYSA-N 0 1 277.711 2.895 20 30 CFEDMN O=[N+]([O-])c1ccc(CN=Nc2cc(Cl)ccn2)o1 ZINC000777906291 628264181 /nfs/dbraw/zinc/26/41/81/628264181.db2.gz WHJXYWJPCFRTMW-UHFFFAOYSA-N 0 1 266.644 2.682 20 30 CFEDMN Oc1cc2c(cc1CN=Nc1cc(Cl)ccn1)OCO2 ZINC000777907159 628264642 /nfs/dbraw/zinc/26/46/42/628264642.db2.gz SVQJBIKECKJSLO-UHFFFAOYSA-N 0 1 291.694 2.615 20 30 CFEDMN C#CCOc1cccc(Cl)c1CNC[C@@H]1CCCO1 ZINC000778151285 628280829 /nfs/dbraw/zinc/28/08/29/628280829.db2.gz LGDLRRASZMPESB-LBPRGKRZSA-N 0 1 279.767 2.621 20 30 CFEDMN C#CCOc1cccc(Cl)c1CNCCOCC=C ZINC000778177970 628284140 /nfs/dbraw/zinc/28/41/40/628284140.db2.gz HAONMZZEAQQQSX-UHFFFAOYSA-N 0 1 279.767 2.644 20 30 CFEDMN Nc1nc(Cl)cc(NN=Cc2ccc(Cl)s2)n1 ZINC000778551399 628315132 /nfs/dbraw/zinc/31/51/32/628315132.db2.gz XIRQKQHYVDCGKF-UHFFFAOYSA-N 0 1 288.163 2.873 20 30 CFEDMN CC(C)(C#N)CCCOC(=O)C(C)(C)N1CCCC1 ZINC000805610786 628316794 /nfs/dbraw/zinc/31/67/94/628316794.db2.gz OKXPTYUTUPASIH-UHFFFAOYSA-N 0 1 266.385 2.734 20 30 CFEDMN C/C(=C/c1ccc(C)cc1)C(=O)NC1(C#N)CCN(C)CC1 ZINC000778719166 628327880 /nfs/dbraw/zinc/32/78/80/628327880.db2.gz IEMXINUTVLIXKG-QINSGFPZSA-N 0 1 297.402 2.503 20 30 CFEDMN CCCCCCCCC(=O)N1CCN(C(C)(C)CO)CC1 ZINC000778944371 628341497 /nfs/dbraw/zinc/34/14/97/628341497.db2.gz MYAKYXAZUXJWEJ-UHFFFAOYSA-N 0 1 298.471 2.652 20 30 CFEDMN N#Cc1ccc(O)c(NC(=O)C2(F)CCCCC2)c1 ZINC000810467565 628342444 /nfs/dbraw/zinc/34/24/44/628342444.db2.gz VEIWEYPXJCPAGA-UHFFFAOYSA-N 0 1 262.284 2.875 20 30 CFEDMN C#C[C@](C)(CC)N[C@@H](C)C(=O)Nc1ccc(CC)cc1 ZINC000852097312 634650484 /nfs/dbraw/zinc/65/04/84/634650484.db2.gz NSYNPELWBMXGMK-SUMWQHHRSA-N 0 1 272.392 2.968 20 30 CFEDMN C#CCOc1cccc(Cl)c1CN1CC[C@H](COC)C1 ZINC000779156813 628356722 /nfs/dbraw/zinc/35/67/22/628356722.db2.gz JPEZQBAMGOBFRS-ZDUSSCGKSA-N 0 1 293.794 2.820 20 30 CFEDMN C#CCOc1cccc(Cl)c1CN1CC[C@H]([C@@H](C)O)C1 ZINC000779166227 628357583 /nfs/dbraw/zinc/35/75/83/628357583.db2.gz VZABQVOUXZTCBG-OLZOCXBDSA-N 0 1 293.794 2.555 20 30 CFEDMN CC(C)(C)CCN[C@H]1CN(C(=O)OC(C)(C)C)C[C@H]1C#N ZINC000779394674 628378149 /nfs/dbraw/zinc/37/81/49/628378149.db2.gz FFYBOLNPMBEGSV-OLZOCXBDSA-N 0 1 295.427 2.771 20 30 CFEDMN C[C@H](CC(=O)OC(C)(C)C)NCc1cc(C#N)ccc1F ZINC000779414344 628379944 /nfs/dbraw/zinc/37/99/44/628379944.db2.gz XPNYXYYRYKPOHY-LLVKDONJSA-N 0 1 292.354 2.907 20 30 CFEDMN C#C[C@](C)(CC)NCC(=O)Nc1ccccc1OC(F)F ZINC000852098091 634652207 /nfs/dbraw/zinc/65/22/07/634652207.db2.gz FICMHJDUIIPFRG-OAHLLOKOSA-N 0 1 296.317 2.618 20 30 CFEDMN C#C[C@](C)(CC)N[C@@H](C)C(=O)Nc1cccc(F)c1 ZINC000852098979 634652884 /nfs/dbraw/zinc/65/28/84/634652884.db2.gz AHNVIFHERBWSGI-XHDPSFHLSA-N 0 1 262.328 2.544 20 30 CFEDMN CCc1cccnc1C(C)N=Nc1ccncc1Cl ZINC000779774517 628402134 /nfs/dbraw/zinc/40/21/34/628402134.db2.gz HGPQPVMDAUSIOO-UHFFFAOYSA-N 0 1 274.755 2.950 20 30 CFEDMN C#C[C@@](C)(CC)NCC(=O)Nc1cc(C)ccc1C ZINC000852098988 634653131 /nfs/dbraw/zinc/65/31/31/634653131.db2.gz AQZXVGWGIQUGAI-INIZCTEOSA-N 0 1 258.365 2.633 20 30 CFEDMN CC(=CN=NC1=NC[C@H](C)N1)Cc1ccc(Cl)cc1 ZINC000779794353 628407052 /nfs/dbraw/zinc/40/70/52/628407052.db2.gz HAJUMHPMQRTCGH-DOYSDWMCSA-N 0 1 276.771 2.666 20 30 CFEDMN C#C[C@](C)(CC)N[C@@H](C)C(=O)Nc1cccc(C)c1 ZINC000852098789 634653361 /nfs/dbraw/zinc/65/33/61/634653361.db2.gz VYNCBLGWOXKTJM-XJKSGUPXSA-N 0 1 258.365 2.714 20 30 CFEDMN COc1cccc(N=NC2CCOc3c(F)cccc32)n1 ZINC000779820537 628411205 /nfs/dbraw/zinc/41/12/05/628411205.db2.gz JZEFGPZFQIPXMR-UHFFFAOYSA-N 0 1 287.294 2.828 20 30 CFEDMN COc1ccsc1C=NNc1cccc(OC)n1 ZINC000779821365 628411267 /nfs/dbraw/zinc/41/12/67/628411267.db2.gz YSTURSBYFTZLDR-UHFFFAOYSA-N 0 1 263.322 2.606 20 30 CFEDMN c1cc(-c2n[nH]cc2CN=Nc2ccccn2)cs1 ZINC000780196435 628438524 /nfs/dbraw/zinc/43/85/24/628438524.db2.gz UWNYCVOYEQACOJ-UHFFFAOYSA-N 0 1 269.333 2.979 20 30 CFEDMN C#C[C@@](C)(CC)[NH2+]Cc1cc(=O)oc2cc([O-])c(CC)cc12 ZINC000852101258 634655821 /nfs/dbraw/zinc/65/58/21/634655821.db2.gz PMICOESARXPUSV-SFHVURJKSA-N 0 1 299.370 2.953 20 30 CFEDMN CCN(CC)c1ccc(C=NN[C@@H]2CCCOC2)cc1F ZINC000780261945 628447754 /nfs/dbraw/zinc/44/77/54/628447754.db2.gz QIMLDPRQJZXJFC-CQSZACIVSA-N 0 1 293.386 2.774 20 30 CFEDMN C#C[C@@](C)(CC)N[C@@H](CCCC)C(=O)Nc1cc(C)on1 ZINC000852101535 634656154 /nfs/dbraw/zinc/65/61/54/634656154.db2.gz RVMQCGLBLLAEKG-BBRMVZONSA-N 0 1 291.395 2.872 20 30 CFEDMN COc1ccc(N=NC2CCC(=O)Nc3ccccc32)nc1 ZINC000780268654 628448799 /nfs/dbraw/zinc/44/87/99/628448799.db2.gz RYHYCJOMLUWICO-UHFFFAOYSA-N 0 1 296.330 2.639 20 30 CFEDMN CCOc1cccc(CN=Nc2ccc(OC)cn2)c1 ZINC000780274502 628449065 /nfs/dbraw/zinc/44/90/65/628449065.db2.gz DIHDVRXYVKYRQT-UHFFFAOYSA-N 0 1 271.320 2.935 20 30 CFEDMN N#Cc1ccc(CN[C@H]2CCc3c2cccc3F)nc1 ZINC000780328257 628455237 /nfs/dbraw/zinc/45/52/37/628455237.db2.gz AUZLHUKSAZYERV-INIZCTEOSA-N 0 1 267.307 2.869 20 30 CFEDMN C#CCCCCCC(=O)NCc1n[nH]c(-c2ccccc2)n1 ZINC000780459046 628466193 /nfs/dbraw/zinc/46/61/93/628466193.db2.gz PNDBBDSPGPRNTH-UHFFFAOYSA-N 0 1 296.374 2.672 20 30 CFEDMN C#CCCCCCC(=O)NCc1nc(-c2ccccc2)n[nH]1 ZINC000780459046 628466196 /nfs/dbraw/zinc/46/61/96/628466196.db2.gz PNDBBDSPGPRNTH-UHFFFAOYSA-N 0 1 296.374 2.672 20 30 CFEDMN Cc1cc(CC(=O)OCc2ccc(Cl)cc2C#N)n[nH]1 ZINC000780494852 628468905 /nfs/dbraw/zinc/46/89/05/628468905.db2.gz LCRSQCLGACNTPZ-UHFFFAOYSA-N 0 1 289.722 2.529 20 30 CFEDMN Cc1cc(F)ccc1CNCc1ccc(C#N)cn1 ZINC000780554978 628475440 /nfs/dbraw/zinc/47/54/40/628475440.db2.gz CBVOVUWKZHDKEZ-UHFFFAOYSA-N 0 1 255.296 2.691 20 30 CFEDMN N#Cc1ccc(CNC/C=C/c2ccccc2[N+](=O)[O-])nc1 ZINC000780556628 628476030 /nfs/dbraw/zinc/47/60/30/628476030.db2.gz OYXGFIZYWXRVMA-HWKANZROSA-N 0 1 294.314 2.664 20 30 CFEDMN C#C[C@](C)(CC)NCc1ccc(C(F)(F)F)cn1 ZINC000852104009 634658617 /nfs/dbraw/zinc/65/86/17/634658617.db2.gz YLNLUMNSTHIUSN-GFCCVEGCSA-N 0 1 256.271 2.992 20 30 CFEDMN C=C[C@H](C)OC(=O)c1ccc(N2CCN(CC)CC2)cc1 ZINC000781578672 628561445 /nfs/dbraw/zinc/56/14/45/628561445.db2.gz JHJYMHMKXRZTQO-AWEZNQCLSA-N 0 1 288.391 2.560 20 30 CFEDMN CC1(C)CC[C@@H](C(=O)C(C#N)C(=O)Nc2ccccn2)C1 ZINC000781773831 628580134 /nfs/dbraw/zinc/58/01/34/628580134.db2.gz VLZKQHHQFJLQBQ-NEPJUHHUSA-N 0 1 285.347 2.555 20 30 CFEDMN Cc1ccc(N2CC[C@H](N3CCC(CC#N)CC3)C2=O)cc1 ZINC000782089682 628603632 /nfs/dbraw/zinc/60/36/32/628603632.db2.gz VIHGHVVFIZLICD-KRWDZBQOSA-N 0 1 297.402 2.726 20 30 CFEDMN Cc1ccnc(NN=Cc2ccc([N+](=O)[O-])s2)c1 ZINC000782229268 628617313 /nfs/dbraw/zinc/61/73/13/628617313.db2.gz RXXQNAYPPIVDIH-UHFFFAOYSA-N 0 1 262.294 2.806 20 30 CFEDMN COC(=O)c1ccc(NN=Cc2[nH]cnc2C)cc1Cl ZINC000782239835 628618493 /nfs/dbraw/zinc/61/84/93/628618493.db2.gz FCDPJBUHEVHTJK-UHFFFAOYSA-N 0 1 292.726 2.604 20 30 CFEDMN COc1cc(C(C)=NNc2cc(C)ccn2)ccn1 ZINC000782243517 628618952 /nfs/dbraw/zinc/61/89/52/628618952.db2.gz YEGFENCCNGLWHF-UHFFFAOYSA-N 0 1 256.309 2.630 20 30 CFEDMN CC(C)(C)CCNN=Cc1cc(-c2cccnc2)[nH]n1 ZINC000782908755 628663222 /nfs/dbraw/zinc/66/32/22/628663222.db2.gz ZBSQPMDMZCQRTM-UHFFFAOYSA-N 0 1 271.368 2.831 20 30 CFEDMN CC(C)(C)CCNN=Cc1cc(O)ccc1[N+](=O)[O-] ZINC000782906980 628663232 /nfs/dbraw/zinc/66/32/32/628663232.db2.gz HUXUCLUNMAERRE-UHFFFAOYSA-N 0 1 265.313 2.660 20 30 CFEDMN CC(C)(C#N)CCCOC(=O)Cc1[nH]nc2ccccc21 ZINC000783155572 628679901 /nfs/dbraw/zinc/67/99/01/628679901.db2.gz HLACMWJPBGWJMO-UHFFFAOYSA-N 0 1 285.347 2.979 20 30 CFEDMN Cc1ccc2cc(C=NNCCN3CCCCC3)ccc2n1 ZINC000783514382 628715200 /nfs/dbraw/zinc/71/52/00/628715200.db2.gz QAIAQHAMNYNCAS-UHFFFAOYSA-N 0 1 296.418 2.953 20 30 CFEDMN Fc1cc(Cl)ccc1C=NNC1=N[C@@H]2CCCC[C@@H]2N1 ZINC000783522624 628716203 /nfs/dbraw/zinc/71/62/03/628716203.db2.gz WARWOLYICMSVLA-BETUJISGSA-N 0 1 294.761 2.673 20 30 CFEDMN N#Cc1ccc(O)c(NC(=O)c2ccnc(C3CC3)c2)c1 ZINC000783592162 628724512 /nfs/dbraw/zinc/72/45/12/628724512.db2.gz DRCAIWAYVFAFPO-UHFFFAOYSA-N 0 1 279.299 2.789 20 30 CFEDMN Cc1cc(C)n(-c2nncn2N=C[C@@H]2CCCC[C@H]2C)n1 ZINC000783809500 628746977 /nfs/dbraw/zinc/74/69/77/628746977.db2.gz FQWKZWIGSWRNDY-RISCZKNCSA-N 0 1 286.383 2.741 20 30 CFEDMN Fc1ccc(F)c2c1OCCC2=N[N-]c1cccc[nH+]1 ZINC000783804474 628747098 /nfs/dbraw/zinc/74/70/98/628747098.db2.gz OPBJDDWLZUNXCA-UHFFFAOYSA-N 0 1 275.258 2.959 20 30 CFEDMN Cc1cc(C)n(-c2nncn2N=C[C@@H]2CCCC[C@@H]2C)n1 ZINC000783809498 628747110 /nfs/dbraw/zinc/74/71/10/628747110.db2.gz FQWKZWIGSWRNDY-FZMZJTMJSA-N 0 1 286.383 2.741 20 30 CFEDMN C[C@@H]1CCCC[C@H]1C=NNCCN1CCCCC1 ZINC000783827312 628747931 /nfs/dbraw/zinc/74/79/31/628747931.db2.gz NMNLBWKCQIGVRG-CABCVRRESA-N 0 1 251.418 2.874 20 30 CFEDMN N#Cc1ccc(C(=O)Nc2ccnn2C2CCCC2)cc1O ZINC000785415564 628881186 /nfs/dbraw/zinc/88/11/86/628881186.db2.gz JLEGEKOUENONNS-UHFFFAOYSA-N 0 1 296.330 2.828 20 30 CFEDMN C#CCC(C)(C)C(=O)Nc1nc2ccc(F)cc2[nH]1 ZINC000785879659 628918513 /nfs/dbraw/zinc/91/85/13/628918513.db2.gz ULVOCMADLUQYRL-UHFFFAOYSA-N 0 1 259.284 2.690 20 30 CFEDMN C=C[C@H]1CCCCN1C[C@H](O)c1cc(OC)ccc1OC ZINC000785997208 628928955 /nfs/dbraw/zinc/92/89/55/628928955.db2.gz KBVZPIYIZBGXNH-BBRMVZONSA-N 0 1 291.391 2.778 20 30 CFEDMN C=C[C@@H]1CCCCN1C[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000785999071 628929684 /nfs/dbraw/zinc/92/96/84/628929684.db2.gz QEJCHMJOJQTBJY-HIFRSBDPSA-N 0 1 276.336 2.669 20 30 CFEDMN C=CCCN(C)Cn1cc(-c2cccc([N+](=O)[O-])c2)cn1 ZINC000786100956 628937311 /nfs/dbraw/zinc/93/73/11/628937311.db2.gz CLZLTANXCQKTFU-UHFFFAOYSA-N 0 1 286.335 2.924 20 30 CFEDMN Cc1cccc(CNC(=O)C(C#N)C(=O)[C@H]2CC[C@@H](C)C2)c1 ZINC000786553087 628968458 /nfs/dbraw/zinc/96/84/58/628968458.db2.gz RZOKMVVBZAXEIO-VNQPRFMTSA-N 0 1 298.386 2.756 20 30 CFEDMN C#C[C@H](N[C@@H](C)c1cnn(C(C)(C)C)c1C)[C@H]1CCCO1 ZINC000786936734 628985556 /nfs/dbraw/zinc/98/55/56/628985556.db2.gz WHVDXNYTBOSIGH-VBNZEHGJSA-N 0 1 289.423 2.778 20 30 CFEDMN FC(F)C(F)(F)COCCN1CC[C@H](C(F)(F)F)C1 ZINC000787271890 629003406 /nfs/dbraw/zinc/00/34/06/629003406.db2.gz MHYHBUSAOORXEG-ZETCQYMHSA-N 0 1 297.214 2.788 20 30 CFEDMN Cc1ccc([N-]N=Cc2ccc(-c3cc[nH]n3)o2)[nH+]c1 ZINC000788428153 629065388 /nfs/dbraw/zinc/06/53/88/629065388.db2.gz WLVJGLJMVHLCRH-UHFFFAOYSA-N 0 1 267.292 2.819 20 30 CFEDMN CCCCOc1ccc(C(C)=NNC2=NC[C@H](C)N2)cc1 ZINC000789037169 629119392 /nfs/dbraw/zinc/11/93/92/629119392.db2.gz NDIQCIQZNKIPJF-LBPRGKRZSA-N 0 1 288.395 2.527 20 30 CFEDMN C#CCN(CC#C)CC[C@H](C)OCc1ccccc1 ZINC000789325623 629147386 /nfs/dbraw/zinc/14/73/86/629147386.db2.gz BTQKGPUYTXEBOU-INIZCTEOSA-N 0 1 255.361 2.550 20 30 CFEDMN N#CC(C(=O)[C@@H]1CC(=O)c2ccccc21)c1ccccn1 ZINC000789345552 629149257 /nfs/dbraw/zinc/14/92/57/629149257.db2.gz SSCRBWDJDPJFPD-ZIAGYGMSSA-N 0 1 276.295 2.628 20 30 CFEDMN COc1cc(CN=Nc2ncccc2C)cc2c1OCO2 ZINC000790187155 629217205 /nfs/dbraw/zinc/21/72/05/629217205.db2.gz UVDHOSSOUTVSFB-UHFFFAOYSA-N 0 1 285.303 2.573 20 30 CFEDMN COc1ccc2c(c1)OCC2N=Nc1ncccc1C ZINC000790185683 629217499 /nfs/dbraw/zinc/21/74/99/629217499.db2.gz JEWHXSNZHPNQDT-UHFFFAOYSA-N 0 1 269.304 2.607 20 30 CFEDMN COc1c(O)cccc1C=NNc1ncccc1C ZINC000790186693 629217688 /nfs/dbraw/zinc/21/76/88/629217688.db2.gz OTGWMSWYWNORPX-UHFFFAOYSA-N 0 1 257.293 2.550 20 30 CFEDMN CC(C)Oc1ccc(CN=Nc2nccn2C)cc1 ZINC000790299588 629226734 /nfs/dbraw/zinc/22/67/34/629226734.db2.gz FNOOLRVUDZYWNC-UHFFFAOYSA-N 0 1 258.325 2.653 20 30 CFEDMN C[C@H]1CCN(Cc2ccccc2)CC1N=Nc1nccn1C ZINC000790299575 629226737 /nfs/dbraw/zinc/22/67/37/629226737.db2.gz FHROUDTXBMIBHH-AWEZNQCLSA-N 0 1 297.406 2.730 20 30 CFEDMN Cn1ccnc1N=NCc1ccc(C(F)(F)F)cc1 ZINC000790299737 629227358 /nfs/dbraw/zinc/22/73/58/629227358.db2.gz JDJBPCRCTHSEHN-UHFFFAOYSA-N 0 1 268.242 2.885 20 30 CFEDMN O=[N+]([O-])c1c(F)cccc1NN=Cc1ccc(F)nc1 ZINC000790311111 629230528 /nfs/dbraw/zinc/23/05/28/629230528.db2.gz WXADUIDABPVENR-UHFFFAOYSA-N 0 1 278.218 2.714 20 30 CFEDMN N#CC[C@H]1CCCN(Cc2cccc3nsnc32)C1 ZINC000852318983 634719028 /nfs/dbraw/zinc/71/90/28/634719028.db2.gz DDTOYVJJNQPADY-LLVKDONJSA-N 0 1 272.377 2.817 20 30 CFEDMN C=CCCCNCc1cnn(-c2cc(C)cc(C)c2)n1 ZINC000790484901 629242694 /nfs/dbraw/zinc/24/26/94/629242694.db2.gz UQCFIBRSNQVGQQ-UHFFFAOYSA-N 0 1 270.380 2.940 20 30 CFEDMN N#CC[C@@H]1CCCN(C[C@@H](O)c2ccc(F)c(F)c2)C1 ZINC000852319926 634721526 /nfs/dbraw/zinc/72/15/26/634721526.db2.gz TYAVRZRLZNUMDM-XHDPSFHLSA-N 0 1 280.318 2.624 20 30 CFEDMN C#C[C@H](NC/C=C/c1ccc(N(C)C)cc1)[C@H]1CCCO1 ZINC000835047990 629346719 /nfs/dbraw/zinc/34/67/19/629346719.db2.gz XPQFTUMMDPBUIY-AAXUHFPESA-N 0 1 284.403 2.536 20 30 CFEDMN C#C[C@H](CCC)NC(=O)[C@H]1CCCN1Cc1ccccc1 ZINC000791744969 629351685 /nfs/dbraw/zinc/35/16/85/629351685.db2.gz JGDXJPVODMCGSC-IAGOWNOFSA-N 0 1 284.403 2.569 20 30 CFEDMN CC(C)C[C@@H]1C[C@H]1C(=O)C(C#N)C(=O)NCc1ccccc1 ZINC000835062324 629365120 /nfs/dbraw/zinc/36/51/20/629365120.db2.gz SIKMXVPUEBOXMJ-OAGGEKHMSA-N 0 1 298.386 2.694 20 30 CFEDMN N#C[C@H](C(=O)C12CC(c3ccccc3)(C1)C2)c1ccncn1 ZINC000791877476 629369916 /nfs/dbraw/zinc/36/99/16/629369916.db2.gz QSGZCFLNSCFOOR-NNGSBXSVSA-N 0 1 289.338 2.775 20 30 CFEDMN C[C@@H]1CC[C@H](C(=O)C(C#N)C(=O)NC2CCCC2)C[C@H]1C ZINC000835074040 629370799 /nfs/dbraw/zinc/37/07/99/629370799.db2.gz QYWLRWHMQAKFAU-GUIRCDHDSA-N 0 1 290.407 2.826 20 30 CFEDMN CC[C@@H]1CCC[C@@H]1C(=O)C(C#N)C(=O)Nc1ccccn1 ZINC000835076875 629374753 /nfs/dbraw/zinc/37/47/53/629374753.db2.gz MGAFYIBQFGAQDY-FRRDWIJNSA-N 0 1 285.347 2.555 20 30 CFEDMN N#C[C@@H](C(=O)CC[C@H]1CCCO1)c1cnc2ccccc2n1 ZINC000792111527 629398845 /nfs/dbraw/zinc/39/88/45/629398845.db2.gz TWYLPIDBHHEXFJ-CHWSQXEVSA-N 0 1 295.342 2.765 20 30 CFEDMN N#C[C@]1(F)CCN(Cc2c(O)ccc(Cl)c2F)C1 ZINC000792181196 629406759 /nfs/dbraw/zinc/40/67/59/629406759.db2.gz XVSNWRIIKWTIEE-GFCCVEGCSA-N 0 1 272.682 2.622 20 30 CFEDMN C#CC[C@H](OC(=O)c1ccc(-c2nnc[nH]2)cc1)C(C)C ZINC000793163637 629495569 /nfs/dbraw/zinc/49/55/69/629495569.db2.gz JJAZBAWKMIRPPO-AWEZNQCLSA-N 0 1 283.331 2.676 20 30 CFEDMN Cc1c(O)cc(O)c(CN=Nc2cccc(Cl)n2)c1O ZINC000793181696 629500677 /nfs/dbraw/zinc/50/06/77/629500677.db2.gz YKQCQJMLKWNKFX-UHFFFAOYSA-N 0 1 293.710 2.606 20 30 CFEDMN C#CCCCCCOC(=O)c1cccc(-c2nnc[nH]2)c1 ZINC000793189605 629502398 /nfs/dbraw/zinc/50/23/98/629502398.db2.gz HTXWBWMDMXZWPJ-UHFFFAOYSA-N 0 1 283.331 2.822 20 30 CFEDMN C[C@H]1CC(N=Nc2ncncc2F)CN1Cc1ccccc1 ZINC000793225159 629508757 /nfs/dbraw/zinc/50/87/57/629508757.db2.gz IDQNOPCKUOAABL-LBPRGKRZSA-N 0 1 299.353 2.678 20 30 CFEDMN CC[C@@H]1[C@@H](C)CCN1Cn1cc2c(c(C#N)c1=O)CCCC2 ZINC000793515702 629559722 /nfs/dbraw/zinc/55/97/22/629559722.db2.gz KPNUHGZPSIMDJK-SUMWQHHRSA-N 0 1 299.418 2.677 20 30 CFEDMN C#C[C@H](NC[C@@H](OC(C)C)c1ccccc1)[C@H]1CCCO1 ZINC000794498648 629651086 /nfs/dbraw/zinc/65/10/86/629651086.db2.gz MMOCWLITHKTZEJ-RCCFBDPRSA-N 0 1 287.403 2.923 20 30 CFEDMN Fc1ccc(-n2nccc2CN=Nc2ccc(F)cn2)cc1 ZINC000794509605 629652204 /nfs/dbraw/zinc/65/22/04/629652204.db2.gz BOGKVLYMIMDLIM-UHFFFAOYSA-N 0 1 299.284 2.992 20 30 CFEDMN CC(Cc1ccccc1C(F)(F)F)=Nn1cnnc1 ZINC000794846208 629693728 /nfs/dbraw/zinc/69/37/28/629693728.db2.gz YUQMPHAJQUYUGR-UHFFFAOYSA-N 0 1 268.242 2.764 20 30 CFEDMN Fc1ccc(N=NC2CCOc3cc(F)ccc32)nc1 ZINC000794908431 629702796 /nfs/dbraw/zinc/70/27/96/629702796.db2.gz IRTQSXNYKAQQMP-UHFFFAOYSA-N 0 1 275.258 2.959 20 30 CFEDMN O=c1[nH]c(N=NC[C@@H]2CCCSC2)nc2ccccc21 ZINC000794919447 629704226 /nfs/dbraw/zinc/70/42/26/629704226.db2.gz YNCBJDACBBOKMS-JTQLQIEISA-N 0 1 288.376 2.876 20 30 CFEDMN Cc1cc(C)c2c(c1)OCCC2=NNc1cncnc1 ZINC000794976203 629713690 /nfs/dbraw/zinc/71/36/90/629713690.db2.gz HBFLLYKSCRJHEY-UHFFFAOYSA-N 0 1 268.320 2.692 20 30 CFEDMN Cc1cc(Br)cc(C=NNc2cncnc2)c1 ZINC000794975979 629713799 /nfs/dbraw/zinc/71/37/99/629713799.db2.gz AZKHOPCEVJTYEG-UHFFFAOYSA-N 0 1 291.152 2.994 20 30 CFEDMN C(=NNc1cncnc1)c1ccc(Oc2cnccn2)cc1 ZINC000794976500 629714249 /nfs/dbraw/zinc/71/42/49/629714249.db2.gz LIFWJVBJNBLOPN-UHFFFAOYSA-N 0 1 292.302 2.505 20 30 CFEDMN Brc1ccccc1CN=Nc1cncnc1 ZINC000794978913 629714921 /nfs/dbraw/zinc/71/49/21/629714921.db2.gz PXDMTWVCTNKUTH-UHFFFAOYSA-N 0 1 277.125 2.685 20 30 CFEDMN Cc1cc(Cl)cc(CN=Nc2cncnc2)c1O ZINC000794977856 629715271 /nfs/dbraw/zinc/71/52/71/629715271.db2.gz AEJQUGMVPGQKSP-UHFFFAOYSA-N 0 1 262.700 2.590 20 30 CFEDMN FC(F)(F)c1cccc(CN=Nc2cncnc2)c1 ZINC000794978127 629715370 /nfs/dbraw/zinc/71/53/70/629715370.db2.gz IIJFAISZBJKKQK-UHFFFAOYSA-N 0 1 266.226 2.941 20 30 CFEDMN CC(=NNc1cncnc1)c1cnn(C(C)(C)C)c1C ZINC000794978460 629715431 /nfs/dbraw/zinc/71/54/31/629715431.db2.gz MSZIHKMGPVBLHH-UHFFFAOYSA-N 0 1 272.356 2.573 20 30 CFEDMN FC(F)COc1ccc(C=NNc2cncnc2)cc1 ZINC000794979307 629716165 /nfs/dbraw/zinc/71/61/65/629716165.db2.gz FJYIVTKYCZLBTP-UHFFFAOYSA-N 0 1 278.262 2.567 20 30 CFEDMN CN(C)c1ccc(C=[NH+][N-]c2ncccc2F)cc1F ZINC000794982954 629716606 /nfs/dbraw/zinc/71/66/06/629716606.db2.gz CVZROJPGZYAEIH-UHFFFAOYSA-N 0 1 276.290 2.872 20 30 CFEDMN C=CCNN=C1CN(Cc2ccccc2)C(C)(C)C1 ZINC000795004209 629722223 /nfs/dbraw/zinc/72/22/23/629722223.db2.gz XTPGHAPLKXTROG-UHFFFAOYSA-N 0 1 257.381 2.803 20 30 CFEDMN Fc1cccc(NN=Cc2cnn(Cc3ccccc3)c2)n1 ZINC000795010038 629723988 /nfs/dbraw/zinc/72/39/88/629723988.db2.gz UQYQKUALDYMGMY-UHFFFAOYSA-N 0 1 295.321 2.912 20 30 CFEDMN CCCCc1nc(C=NOCCCOC)c(Cl)[nH]1 ZINC000795041719 629728095 /nfs/dbraw/zinc/72/80/95/629728095.db2.gz HOTDTWNDMSAYAL-UHFFFAOYSA-N 0 1 273.764 2.793 20 30 CFEDMN Cc1nn(-c2ccccn2)c(Cl)c1CNCCCC#N ZINC000796345076 629906640 /nfs/dbraw/zinc/90/66/40/629906640.db2.gz ZRSUHWCCHHHEGF-UHFFFAOYSA-N 0 1 289.770 2.623 20 30 CFEDMN CC(C)NC(=O)[C@@H](C#N)C(=O)[C@H](F)CC1CCCCC1 ZINC000796631324 629943287 /nfs/dbraw/zinc/94/32/87/629943287.db2.gz SFKWAXJPXUNKPI-QWHCGFSZSA-N 0 1 282.359 2.528 20 30 CFEDMN Cc1cc(C(C#N)C(=O)[C@@H]2CCC(F)(F)C2)nc(C)n1 ZINC000796634788 629943923 /nfs/dbraw/zinc/94/39/23/629943923.db2.gz XHQUUECNXUDZCK-GHMZBOCLSA-N 0 1 279.290 2.705 20 30 CFEDMN C#CCN(Cc1ccccc1)C[C@@H](O)c1ccc(F)cc1 ZINC000796640967 629944768 /nfs/dbraw/zinc/94/47/68/629944768.db2.gz SYVFTTJSKGZHJZ-GOSISDBHSA-N 0 1 283.346 2.995 20 30 CFEDMN CO[C@@H](C(=O)C(C#N)c1nc(C(C)C)cs1)C1CC1 ZINC000796746931 629959426 /nfs/dbraw/zinc/95/94/26/629959426.db2.gz OXGAOKAQTWVOCV-GXFFZTMASA-N 0 1 278.377 2.868 20 30 CFEDMN Cc1cc(C(C#N)C(=O)CCCOC(C)(C)C)nc(C)n1 ZINC000796777594 629964624 /nfs/dbraw/zinc/96/46/24/629964624.db2.gz SQAGPBFXBRNWDG-ZDUSSCGKSA-N 0 1 289.379 2.865 20 30 CFEDMN CCCCCCNC(=O)C(C#N)C(=O)C1CC(C)(C)C1 ZINC000796776838 629964770 /nfs/dbraw/zinc/96/47/70/629964770.db2.gz FKIBGXWNQFDKOC-ZDUSSCGKSA-N 0 1 278.396 2.828 20 30 CFEDMN N#Cc1ccc(C(=O)O[C@@H]2CCN(Cc3ccccc3)C2)o1 ZINC000796847515 629978626 /nfs/dbraw/zinc/97/86/26/629978626.db2.gz LLIVXACSGZWKRZ-OAHLLOKOSA-N 0 1 296.326 2.583 20 30 CFEDMN CC[C@](C)(OC)C(=O)C(C#N)c1cnc2ccccc2n1 ZINC000796899369 629986324 /nfs/dbraw/zinc/98/63/24/629986324.db2.gz JPGKNNQVMBBWIC-BZNIZROVSA-N 0 1 283.331 2.621 20 30 CFEDMN N#Cc1ccc(C(=O)O[C@H]2CCN(Cc3ccccc3)C2)o1 ZINC000796904148 629987395 /nfs/dbraw/zinc/98/73/95/629987395.db2.gz LLIVXACSGZWKRZ-HNNXBMFYSA-N 0 1 296.326 2.583 20 30 CFEDMN C#CCN1CCC[C@@H]1COC(=O)[C@H]1[C@H](c2ccccc2)[C@@H]1C ZINC000797554530 630078501 /nfs/dbraw/zinc/07/85/01/630078501.db2.gz VBYCQKUVTLKLNH-XOYOTBSWSA-N 0 1 297.398 2.677 20 30 CFEDMN CC(C)[C@H](C(=O)OC[C@@H](C#N)Cc1cccs1)N(C)C ZINC000798844952 630245249 /nfs/dbraw/zinc/24/52/49/630245249.db2.gz FQABSPSYEXRTEI-TZMCWYRMSA-N 0 1 294.420 2.560 20 30 CFEDMN C#C[C@@H](NC(=O)[C@H](c1ccccc1)N(CC)CC)C(C)C ZINC000799048784 630270621 /nfs/dbraw/zinc/27/06/21/630270621.db2.gz VJZZVBGMGQSLJK-SJORKVTESA-N 0 1 286.419 2.844 20 30 CFEDMN C#CC[N@H+](Cc1cnc(OC)nc1C)C1CCCCC1 ZINC000799116222 630277130 /nfs/dbraw/zinc/27/71/30/630277130.db2.gz GFPVYHUDBMMTEP-UHFFFAOYSA-N 0 1 273.380 2.562 20 30 CFEDMN C#CCN(Cc1cnc(OC)nc1C)C1CCCCC1 ZINC000799116222 630277134 /nfs/dbraw/zinc/27/71/34/630277134.db2.gz GFPVYHUDBMMTEP-UHFFFAOYSA-N 0 1 273.380 2.562 20 30 CFEDMN CCCCO[C@@H](C)C(=O)C(C#N)c1nc(C)cs1 ZINC000103635503 630291707 /nfs/dbraw/zinc/29/17/07/630291707.db2.gz PXCVXGFTBNCDDQ-QWRGUYRKSA-N 0 1 266.366 2.833 20 30 CFEDMN Cc1oncc1C(C)N=Nc1nncc2ccccc21 ZINC000799466462 630311600 /nfs/dbraw/zinc/31/16/00/630311600.db2.gz CWRUEFAFWROTEG-UHFFFAOYSA-N 0 1 267.292 2.762 20 30 CFEDMN CC1(C)CCC[C@H]1NN=Cc1cc(C(F)(F)F)n[nH]1 ZINC000799487728 630314563 /nfs/dbraw/zinc/31/45/63/630314563.db2.gz ZFKQDRDJNARNQM-SECBINFHSA-N 0 1 274.290 2.931 20 30 CFEDMN C[C@H]1CN(C)CC1N=Nc1ccc(C#N)cc1C(F)(F)F ZINC000799491458 630315058 /nfs/dbraw/zinc/31/50/58/630315058.db2.gz FRZWFDIHOYFEGU-VIFPVBQESA-N 0 1 296.296 2.926 20 30 CFEDMN C=C1C[C@H]2CC[C@@H](C1)N2[C@H](C)C(=O)OCCCC ZINC000852685755 634806216 /nfs/dbraw/zinc/80/62/16/634806216.db2.gz JRLHTZJLMNEMRI-MCIONIFRSA-N 0 1 251.370 2.901 20 30 CFEDMN N#CCC[C@@H](C#N)CN[C@@H]1Cc2ccc(Cl)cc2C1 ZINC000799982713 630359073 /nfs/dbraw/zinc/35/90/73/630359073.db2.gz LFCCCVUFDVMQMS-XHDPSFHLSA-N 0 1 273.767 2.840 20 30 CFEDMN C[C@@H]1CC(=NC(=O)c2ccc(Cl)c3ncccc23)NO1 ZINC000801180266 630431902 /nfs/dbraw/zinc/43/19/02/630431902.db2.gz CDNTUOPILSPMID-MRVPVSSYSA-N 0 1 289.722 2.740 20 30 CFEDMN Cc1nc2c(cccc2C(=O)N(CCC#N)CC(C)C)[nH]1 ZINC000801850691 630478793 /nfs/dbraw/zinc/47/87/93/630478793.db2.gz MSTKNNSHDHZYGP-UHFFFAOYSA-N 0 1 284.363 2.883 20 30 CFEDMN C[C@@H](C#N)Oc1ccc(CN2CC[C@H](OC(F)F)C2)cc1 ZINC000802658831 630536430 /nfs/dbraw/zinc/53/64/30/630536430.db2.gz RIOJJBXBZCKANQ-FZMZJTMJSA-N 0 1 296.317 2.791 20 30 CFEDMN C[N@@H+](CC1=CCSC1)Cc1ccc(OCC#N)cc1 ZINC000852747681 634822177 /nfs/dbraw/zinc/82/21/77/634822177.db2.gz SSFUSPFOBXBCQR-UHFFFAOYSA-N 0 1 274.389 2.694 20 30 CFEDMN C=CCN1CCN(CN2CCC[C@]3(CC=CCC3)C2)C1=O ZINC000839998115 630602568 /nfs/dbraw/zinc/60/25/68/630602568.db2.gz PNVSEDNIBGACND-QGZVFWFLSA-N 0 1 289.423 2.690 20 30 CFEDMN C#CCCN(CCOC)Cc1cc2c(c(Cl)c1)OCO2 ZINC000852751628 634826258 /nfs/dbraw/zinc/82/62/58/634826258.db2.gz JDEJILMWWDWYMA-UHFFFAOYSA-N 0 1 295.766 2.540 20 30 CFEDMN C[C@H](C[C@@H](O)c1cccs1)NC[C@H](C#N)CCC#N ZINC000843107458 630666875 /nfs/dbraw/zinc/66/68/75/630666875.db2.gz OHIIAGOIWWACDW-FRRDWIJNSA-N 0 1 277.393 2.593 20 30 CFEDMN FC(F)(F)c1ccc(C=NNc2ccccn2)[nH]1 ZINC000807949838 630925377 /nfs/dbraw/zinc/92/53/77/630925377.db2.gz LMQIVPMXBWICMF-UHFFFAOYSA-N 0 1 254.215 2.875 20 30 CFEDMN Cc1ccccc1-n1cc(C=NNc2ccc(F)cn2)nn1 ZINC000807972744 630928084 /nfs/dbraw/zinc/92/80/84/630928084.db2.gz OCPCUBSHQAVYOX-UHFFFAOYSA-N 0 1 296.309 2.556 20 30 CFEDMN Cc1cc(Cl)cc(C(C)N=Nc2cnn(C)c2)c1O ZINC000807986060 630931310 /nfs/dbraw/zinc/93/13/10/630931310.db2.gz XNIVNXGWGHJNOO-UHFFFAOYSA-N 0 1 278.743 2.924 20 30 CFEDMN CCc1oc2ccccc2c1C=NNc1ncn[nH]1 ZINC000807997735 630935076 /nfs/dbraw/zinc/93/50/76/630935076.db2.gz YYDBOSVAVYIKKT-UHFFFAOYSA-N 0 1 255.281 2.559 20 30 CFEDMN C=CCONC(=O)C(C)(C)c1ccccc1Cl ZINC000837045962 630944114 /nfs/dbraw/zinc/94/41/14/630944114.db2.gz CAIUQRIKLLQMTJ-UHFFFAOYSA-N 0 1 253.729 2.851 20 30 CFEDMN C=CCONC(=O)[C@H](c1ccc(F)cc1)C(C)C ZINC000837045825 630944403 /nfs/dbraw/zinc/94/44/03/630944403.db2.gz BGEQUMCJDNIOCF-ZDUSSCGKSA-N 0 1 251.301 2.799 20 30 CFEDMN C=CCONC(=O)[C@H](C)c1ccc(Br)s1 ZINC000837048840 630946427 /nfs/dbraw/zinc/94/64/27/630946427.db2.gz YQCSKXJJMSHKDP-SSDOTTSWSA-N 0 1 290.182 2.848 20 30 CFEDMN C#CCC(C)(C)C(=O)Nc1ccc(F)c(F)c1O ZINC000837266610 630990049 /nfs/dbraw/zinc/99/00/49/630990049.db2.gz SXHPKXDQYKUAIL-UHFFFAOYSA-N 0 1 253.248 2.658 20 30 CFEDMN C#CC[C@@H](NCc1cncc(OC)c1)c1ccccc1 ZINC000808744026 631042162 /nfs/dbraw/zinc/04/21/62/631042162.db2.gz TWKJFBZJZJGLRI-QGZVFWFLSA-N 0 1 266.344 2.944 20 30 CFEDMN CCC#C[C@@H](C)N1CC[C@H](NC(=O)OC(C)(C)C)[C@@H]1C ZINC000808790108 631048528 /nfs/dbraw/zinc/04/85/28/631048528.db2.gz DFICVXXJAFFTTP-RDBSUJKOSA-N 0 1 280.412 2.776 20 30 CFEDMN C#Cc1ccc(CNCc2cn3c(cccc3C)n2)cc1 ZINC000809614262 631246536 /nfs/dbraw/zinc/24/65/36/631246536.db2.gz MGJRIWVQXFKIHN-UHFFFAOYSA-N 0 1 275.355 2.914 20 30 CFEDMN C#Cc1ccc(CN[C@@H](CC(=O)NC)c2ccccc2)cc1 ZINC000809658292 631258030 /nfs/dbraw/zinc/25/80/30/631258030.db2.gz KFFLSQMDKFQTCJ-SFHVURJKSA-N 0 1 292.382 2.635 20 30 CFEDMN C#Cc1ccc(CN2CCO[C@@H](C(C)(C)C)C2)cc1 ZINC000809657158 631258165 /nfs/dbraw/zinc/25/81/65/631258165.db2.gz WICXJHSHXDBUEY-MRXNPFEDSA-N 0 1 257.377 2.915 20 30 CFEDMN C#C[C@@H](C)NCc1ccccc1OCC(F)(F)F ZINC000809683505 631261296 /nfs/dbraw/zinc/26/12/96/631261296.db2.gz FLBXJLHUCDTELF-SNVBAGLBSA-N 0 1 257.255 2.739 20 30 CFEDMN C#Cc1ccc(CN2CC[C@@H](C(F)(F)F)[C@H](CO)C2)cc1 ZINC000809697180 631266085 /nfs/dbraw/zinc/26/60/85/631266085.db2.gz DCEBJLLFNNDQHR-LSDHHAIUSA-N 0 1 297.320 2.661 20 30 CFEDMN C[C@@H](Cc1cccc(F)c1)NCc1nc(C#N)cs1 ZINC000810145911 631334688 /nfs/dbraw/zinc/33/46/88/631334688.db2.gz JGCKWPVSBYYYCE-JTQLQIEISA-N 0 1 275.352 2.875 20 30 CFEDMN C[C@@H](C[C@H](O)c1ccccc1)NCc1nc(C#N)cs1 ZINC000810152495 631335006 /nfs/dbraw/zinc/33/50/06/631335006.db2.gz SALIYZUCTFIPRA-FZMZJTMJSA-N 0 1 287.388 2.617 20 30 CFEDMN CO[C@@H](CN[C@H]1CCc2ccc(C#N)cc21)C(F)(F)F ZINC000810231495 631347474 /nfs/dbraw/zinc/34/74/74/631347474.db2.gz DBFOYQJRXPNILJ-STQMWFEESA-N 0 1 284.281 2.712 20 30 CFEDMN CO[C@@H](CN[C@@H]1CCc2ccc(C#N)cc21)C(F)(F)F ZINC000810231493 631347759 /nfs/dbraw/zinc/34/77/59/631347759.db2.gz DBFOYQJRXPNILJ-OLZOCXBDSA-N 0 1 284.281 2.712 20 30 CFEDMN C=C(C)CN(C)C(=O)c1c(Cl)[nH]nc1C1CC1 ZINC000867254145 631354914 /nfs/dbraw/zinc/35/49/14/631354914.db2.gz MMYHVHJICLRPHO-UHFFFAOYSA-N 0 1 253.733 2.589 20 30 CFEDMN C=C[C@H](CC)OC(=O)[C@@]1(F)CCN(C(C)(C)C)C1 ZINC000810655441 631419616 /nfs/dbraw/zinc/41/96/16/631419616.db2.gz PNBDDOJNDCQGTD-BXUZGUMPSA-N 0 1 257.349 2.707 20 30 CFEDMN C#CCCCCCOC(=O)[C@]1(F)CCN(C(C)(C)C)C1 ZINC000810660640 631421106 /nfs/dbraw/zinc/42/11/06/631421106.db2.gz MKIGGNFZMPFENA-INIZCTEOSA-N 0 1 283.387 2.936 20 30 CFEDMN N#C[C@H](C(=O)Cc1cccc(Cl)c1F)c1ccncn1 ZINC000810674199 631424518 /nfs/dbraw/zinc/42/45/18/631424518.db2.gz ZYPPPLKDMGFSIM-JTQLQIEISA-N 0 1 289.697 2.688 20 30 CFEDMN Cc1cc(C=NNc2ccc(C(F)(F)F)cn2)n(C)n1 ZINC000841604222 631428170 /nfs/dbraw/zinc/42/81/70/631428170.db2.gz RYBURTZRMOANJD-UHFFFAOYSA-N 0 1 283.257 2.588 20 30 CFEDMN O=[N+]([O-])c1ccc2c(c1)C(N=Nc1cncnc1)CCCC2 ZINC000841636075 631439829 /nfs/dbraw/zinc/43/98/29/631439829.db2.gz FUZLDGJCUDPCAV-UHFFFAOYSA-N 0 1 297.318 2.927 20 30 CFEDMN CCCCCC[C@@](C)([NH2+]Cc1nc(C#N)cs1)C(=O)[O-] ZINC000841800573 631472538 /nfs/dbraw/zinc/47/25/38/631472538.db2.gz HJCJPIZVOUFSSU-CQSZACIVSA-N 0 1 295.408 2.918 20 30 CFEDMN CC[C@@H](C#N)Oc1cccc(CNCc2cncn2CC)c1 ZINC000841864058 631482890 /nfs/dbraw/zinc/48/28/90/631482890.db2.gz KBUFTNIFIPQCMM-INIZCTEOSA-N 0 1 298.390 2.874 20 30 CFEDMN N#CC1(CN[C@H]2CCN(c3ccccc3)C2)CCC1 ZINC000841899886 631491152 /nfs/dbraw/zinc/49/11/52/631491152.db2.gz YLQHEIXLOQFTFR-AWEZNQCLSA-N 0 1 255.365 2.549 20 30 CFEDMN N#CC1(CNCc2cc(Cl)ccc2O)CCC1 ZINC000841898918 631491178 /nfs/dbraw/zinc/49/11/78/631491178.db2.gz QLYMWRMMWFHMGI-UHFFFAOYSA-N 0 1 250.729 2.829 20 30 CFEDMN N#CC1(C[NH2+]Cc2cc(Cl)ccc2[O-])CCC1 ZINC000841898918 631491180 /nfs/dbraw/zinc/49/11/80/631491180.db2.gz QLYMWRMMWFHMGI-UHFFFAOYSA-N 0 1 250.729 2.829 20 30 CFEDMN Cc1ccc(-c2nc(C3(N)CCCC3)no2)cc1C#N ZINC000842592336 631514050 /nfs/dbraw/zinc/51/40/50/631514050.db2.gz IWAMOJQZQAKHEO-UHFFFAOYSA-N 0 1 268.320 2.645 20 30 CFEDMN Cc1n[nH]c(C(C)C)c1C(=O)OCc1nc(C#N)cs1 ZINC000842090982 631536451 /nfs/dbraw/zinc/53/64/51/631536451.db2.gz CKTRRVVOCWKRJM-UHFFFAOYSA-N 0 1 290.348 2.527 20 30 CFEDMN CC[C@H](CC1CCCC1)C(=O)C(C#N)C(=O)NC1CC1 ZINC000842288759 631580396 /nfs/dbraw/zinc/58/03/96/631580396.db2.gz JUDQHXHKNUQNQG-TZMCWYRMSA-N 0 1 276.380 2.580 20 30 CFEDMN Cc1cc(NN=Cc2cc(O)cc(C(F)(F)F)c2)ncn1 ZINC000811642620 631590706 /nfs/dbraw/zinc/59/07/06/631590706.db2.gz ZZGDXNUNOICXFK-UHFFFAOYSA-N 0 1 296.252 2.955 20 30 CFEDMN CC(N=Nc1ccncc1Cl)c1cc2n(n1)CCCC2 ZINC000842527628 631652747 /nfs/dbraw/zinc/65/27/47/631652747.db2.gz KDGYQZMTHZVNTM-UHFFFAOYSA-N 0 1 289.770 2.526 20 30 CFEDMN CCN(C[C@@H](C)OC)Cn1ccc(-c2ccc(C#N)cc2)n1 ZINC000812303334 631686767 /nfs/dbraw/zinc/68/67/67/631686767.db2.gz OTSFMYSAGHJDMT-CQSZACIVSA-N 0 1 298.390 2.736 20 30 CFEDMN CC(N=Nc1ccccc1F)c1ccc2c(c1)NC(=O)CO2 ZINC000812460185 631721779 /nfs/dbraw/zinc/72/17/79/631721779.db2.gz MSIDNBMYBDIUML-UHFFFAOYSA-N 0 1 299.305 2.993 20 30 CFEDMN C#C[C@@H](NC(=O)c1ccc(F)cc1O)c1ccc(F)cc1 ZINC000812750325 631767255 /nfs/dbraw/zinc/76/72/55/631767255.db2.gz SATKTMHODFUWQV-CQSZACIVSA-N 0 1 287.265 2.775 20 30 CFEDMN N#CC(C(=O)CCCC1CC1)c1nnc2n1CCCCC2 ZINC000813061717 631822058 /nfs/dbraw/zinc/82/20/58/631822058.db2.gz QOZUBYGAYAEASO-CYBMUJFWSA-N 0 1 286.379 2.761 20 30 CFEDMN Cc1cc(C(C#N)C(=O)CCCC2CC2)nc(C)n1 ZINC000813059718 631822662 /nfs/dbraw/zinc/82/26/62/631822662.db2.gz GSLZRPNAGMMZGY-CYBMUJFWSA-N 0 1 257.337 2.850 20 30 CFEDMN COC[C@H](C)[C@H](C)C(=O)[C@@H](C#N)c1nc2cccc(C)c2[nH]1 ZINC000813069730 631825411 /nfs/dbraw/zinc/82/54/11/631825411.db2.gz KYPVLOHNRAYZHZ-RWMBFGLXSA-N 0 1 299.374 2.966 20 30 CFEDMN CO[C@@](C)(C(=O)C(C#N)c1cnc2ccccc2n1)C1CC1 ZINC000813090953 631832980 /nfs/dbraw/zinc/83/29/80/631832980.db2.gz TWITYSVECZNGKG-YVEFUNNKSA-N 0 1 295.342 2.621 20 30 CFEDMN C[C@H](C[C@H](O)c1ccccc1)NC[C@H](C#N)CCC#N ZINC000843094498 631833834 /nfs/dbraw/zinc/83/38/34/631833834.db2.gz UKYSZDZJJDPYLJ-YCPHGPKFSA-N 0 1 271.364 2.532 20 30 CFEDMN C[C@H](C[C@H](O)c1ccccc1)NC[C@@H](C#N)CCC#N ZINC000843094495 631833905 /nfs/dbraw/zinc/83/39/05/631833905.db2.gz UKYSZDZJJDPYLJ-FMKPAKJESA-N 0 1 271.364 2.532 20 30 CFEDMN C[C@H](C[C@@H](O)c1ccc(F)cc1)NC[C@H](C#N)CCC#N ZINC000843100249 631834325 /nfs/dbraw/zinc/83/43/25/631834325.db2.gz HECSXCXMHQAFOZ-DVOMOZLQSA-N 0 1 289.354 2.671 20 30 CFEDMN C=CCOc1ccc(-c2nc([C@H](N)C(C)C)no2)cc1 ZINC000843147821 631858926 /nfs/dbraw/zinc/85/89/26/631858926.db2.gz HBRGSZOAGPLCQV-CYBMUJFWSA-N 0 1 273.336 2.957 20 30 CFEDMN CC1(CC(F)F)CN(C[C@H](O)c2ccc(C#N)cc2)C1 ZINC000843294523 631921358 /nfs/dbraw/zinc/92/13/58/631921358.db2.gz PJPTTXLFEGMZBA-ZDUSSCGKSA-N 0 1 280.318 2.569 20 30 CFEDMN C#CCN(Cc1cn(C)nc1-c1ccc(C)o1)C1CC1 ZINC000843403696 631945478 /nfs/dbraw/zinc/94/54/78/631945478.db2.gz JYHBXJNZPZSVQU-UHFFFAOYSA-N 0 1 269.348 2.586 20 30 CFEDMN C[C@@H]1C[C@H](NCC2(C#N)CC2)CN(C(=O)OC(C)(C)C)C1 ZINC000843405788 631946225 /nfs/dbraw/zinc/94/62/25/631946225.db2.gz AVEFECTWDKNQJH-OLZOCXBDSA-N 0 1 293.411 2.525 20 30 CFEDMN C#CC1CCN(Cc2ccnn2-c2ccccc2)CC1 ZINC000843426825 631954628 /nfs/dbraw/zinc/95/46/28/631954628.db2.gz LFOISUWDUJDDHR-UHFFFAOYSA-N 0 1 265.360 2.718 20 30 CFEDMN C#CC1CCN(Cc2cnc([C@@H]3CCCO3)s2)CC1 ZINC000843427282 631955517 /nfs/dbraw/zinc/95/55/17/631955517.db2.gz XZYSPIMTAIKRJW-AWEZNQCLSA-N 0 1 276.405 2.840 20 30 CFEDMN C#CC[C@@H]1CCCN(C(=O)[C@H](c2ccccc2)N(C)CC)C1 ZINC000843672789 632019403 /nfs/dbraw/zinc/01/94/03/632019403.db2.gz CVRMYOGNMMFBSR-AEFFLSMTSA-N 0 1 298.430 2.941 20 30 CFEDMN O=C(/C=C/c1cnn(CC(F)F)c1)c1cc(F)ccc1O ZINC000814189975 632028733 /nfs/dbraw/zinc/02/87/33/632028733.db2.gz MDJGVTRTOTUYKT-HNQUOIGGSA-N 0 1 296.248 2.889 20 30 CFEDMN C[C@H]1CN(Cc2ccccn2)CCC1=NOCC1CC1 ZINC000814243660 632043846 /nfs/dbraw/zinc/04/38/46/632043846.db2.gz IIZDMIMBXFBUFU-ZDUSSCGKSA-N 0 1 273.380 2.706 20 30 CFEDMN CC(C)(C)c1nnc(COC(=O)c2ccccc2CC#N)[nH]1 ZINC000814437424 632063606 /nfs/dbraw/zinc/06/36/06/632063606.db2.gz NOYHRAYWGINORW-UHFFFAOYSA-N 0 1 298.346 2.525 20 30 CFEDMN CC(C)(C)c1nc(COC(=O)c2ccccc2CC#N)n[nH]1 ZINC000814437424 632063613 /nfs/dbraw/zinc/06/36/13/632063613.db2.gz NOYHRAYWGINORW-UHFFFAOYSA-N 0 1 298.346 2.525 20 30 CFEDMN C#CCCCCCC(=O)OCc1nnc(C(C)(C)C)[nH]1 ZINC000814464132 632071047 /nfs/dbraw/zinc/07/10/47/632071047.db2.gz NOFOGBJFUDOOSX-UHFFFAOYSA-N 0 1 277.368 2.729 20 30 CFEDMN C#CCCCCCC(=O)OCc1n[nH]c(C(C)(C)C)n1 ZINC000814464132 632071053 /nfs/dbraw/zinc/07/10/53/632071053.db2.gz NOFOGBJFUDOOSX-UHFFFAOYSA-N 0 1 277.368 2.729 20 30 CFEDMN Cc1sc2[nH]cnc(=NN=Cc3ccnc(C)n3)c2c1C ZINC000814726622 632114550 /nfs/dbraw/zinc/11/45/50/632114550.db2.gz YVAMKAZCSQDYSB-UHFFFAOYSA-N 0 1 298.375 2.853 20 30 CFEDMN Cn1ccc(CN=Nc2cccc(Cl)c2F)n1 ZINC000814818683 632131635 /nfs/dbraw/zinc/13/16/35/632131635.db2.gz DLVUEGCJPQUNMG-UHFFFAOYSA-N 0 1 252.680 2.659 20 30 CFEDMN COc1cc([N+](=O)[O-])ccc1N=NCc1nccs1 ZINC000814823672 632132615 /nfs/dbraw/zinc/13/26/15/632132615.db2.gz QKKKFKKXQNVHFO-UHFFFAOYSA-N 0 1 278.293 2.506 20 30 CFEDMN Cc1ccc(NN=Cc2cc(Cl)c(F)cc2O)nn1 ZINC000814840395 632136393 /nfs/dbraw/zinc/13/63/93/632136393.db2.gz JXTKGJAFIJIWPY-UHFFFAOYSA-N 0 1 280.690 2.729 20 30 CFEDMN Cc1cc(=NN=Cc2nc3c(s2)CCCC3)nc[nH]1 ZINC000814846623 632137720 /nfs/dbraw/zinc/13/77/20/632137720.db2.gz WICIILGIPGMPPN-UHFFFAOYSA-N 0 1 273.365 2.566 20 30 CFEDMN CC(N=Nc1cccc(C(F)(F)F)n1)c1ccc(N)nc1 ZINC000814853290 632139077 /nfs/dbraw/zinc/13/90/77/632139077.db2.gz JELBUBGZQFBARG-UHFFFAOYSA-N 0 1 295.268 2.914 20 30 CFEDMN Cc1ccnc(N=NCc2ccc3c(c2)sc(=O)n3C)c1 ZINC000814867486 632142270 /nfs/dbraw/zinc/14/22/70/632142270.db2.gz GLMDZZDGEXYASX-UHFFFAOYSA-N 0 1 298.371 2.749 20 30 CFEDMN Cc1cc[nH+]c([N-]N=C2COc3cc(F)ccc32)c1 ZINC000814868010 632142541 /nfs/dbraw/zinc/14/25/41/632142541.db2.gz SUYKPTSWSWVFRQ-UHFFFAOYSA-N 0 1 257.268 2.738 20 30 CFEDMN O=c1nc(NN=C2CC3(CC3)C2)[nH]c2ccccc12 ZINC000814868719 632143003 /nfs/dbraw/zinc/14/30/03/632143003.db2.gz GIQUMYFBNPNIOF-UHFFFAOYSA-N 0 1 254.293 2.677 20 30 CFEDMN O=c1[nH]c(N=NC2CC3(CC3)C2)nc2ccccc21 ZINC000814868719 632143008 /nfs/dbraw/zinc/14/30/08/632143008.db2.gz GIQUMYFBNPNIOF-UHFFFAOYSA-N 0 1 254.293 2.677 20 30 CFEDMN CCC(=NN[C@@H](C)COC)c1ccc(Cl)c(N)c1 ZINC000814895365 632152482 /nfs/dbraw/zinc/15/24/82/632152482.db2.gz LCMCYUPGQMHYHQ-VIFPVBQESA-N 0 1 269.776 2.661 20 30 CFEDMN CC(C)OCCNN=C1CC(C)(C)Oc2ccc(N)cc21 ZINC000814898989 632154099 /nfs/dbraw/zinc/15/40/99/632154099.db2.gz FKKNJOHAVLXHMB-UHFFFAOYSA-N 0 1 291.395 2.549 20 30 CFEDMN COc1ccc2nc(NN=Cc3ccn(C)n3)c(C)cc2c1 ZINC000814899368 632154786 /nfs/dbraw/zinc/15/47/86/632154786.db2.gz SGEXXXZFFCOESL-UHFFFAOYSA-N 0 1 295.346 2.731 20 30 CFEDMN COc1ccc(N=NCc2ncc(Cl)s2)nc1 ZINC000814909436 632159941 /nfs/dbraw/zinc/15/99/41/632159941.db2.gz LMCPDTOJMPJLRV-UHFFFAOYSA-N 0 1 268.729 2.646 20 30 CFEDMN Fc1ccc2ccc(CN=Nc3cncnc3)nc2c1F ZINC000814926905 632167754 /nfs/dbraw/zinc/16/77/54/632167754.db2.gz PHXWJLWIBMUIQW-UHFFFAOYSA-N 0 1 285.257 2.749 20 30 CFEDMN C[C@@H](c1cccc(C#N)c1)N(C)C[C@@H]1CN(C2CC2)C(=O)O1 ZINC000844342900 632174368 /nfs/dbraw/zinc/17/43/68/632174368.db2.gz LFSOKBFSPBGICI-BLLLJJGKSA-N 0 1 299.374 2.534 20 30 CFEDMN c1ccc(-c2nnc(N=NC3CCN4CCC[C@H]34)s2)cc1 ZINC000814947790 632178220 /nfs/dbraw/zinc/17/82/20/632178220.db2.gz KBHNVPKCCIZRFP-CYBMUJFWSA-N 0 1 299.403 2.841 20 30 CFEDMN CCOc1ccc(Cl)cc1C(C)N=Nc1cnnn1C ZINC000814984188 632185063 /nfs/dbraw/zinc/18/50/63/632185063.db2.gz WPCNQABYYFKMFI-UHFFFAOYSA-N 0 1 293.758 2.703 20 30 CFEDMN COc1ccc(C(C)=NNc2cnnn2C)c2ccccc12 ZINC000814983390 632185432 /nfs/dbraw/zinc/18/54/32/632185432.db2.gz HREKZLRSOITHRC-UHFFFAOYSA-N 0 1 295.346 2.813 20 30 CFEDMN N#CCCOCCN1CCC[C@@H]1CC(=O)c1cccs1 ZINC000815072626 632195115 /nfs/dbraw/zinc/19/51/15/632195115.db2.gz PMPIEJXDVOLLMP-CYBMUJFWSA-N 0 1 292.404 2.716 20 30 CFEDMN C=CCN(CC=C)C(=O)[C@H](C)N1CCC[C@]2(CC2(F)F)C1 ZINC000844436923 632209741 /nfs/dbraw/zinc/20/97/41/632209741.db2.gz IZRDPFJAOGZGCR-ZFWWWQNUSA-N 0 1 298.377 2.697 20 30 CFEDMN CC#CCN(C)Cc1ccc(OCC)c(OCC)c1 ZINC000815280742 632242844 /nfs/dbraw/zinc/24/28/44/632242844.db2.gz QWLUIDXXEBXAGW-UHFFFAOYSA-N 0 1 261.365 2.939 20 30 CFEDMN C=C(C)CON=Cc1ccccc1N1CCO[C@@H](C)C1 ZINC000844616745 632263415 /nfs/dbraw/zinc/26/34/15/632263415.db2.gz DNLYDSNYJKSLPR-AWEZNQCLSA-N 0 1 274.364 2.838 20 30 CFEDMN C=C[C@H](C)ON=Cc1ccc(N(C)CCC#N)cc1 ZINC000844622888 632266725 /nfs/dbraw/zinc/26/67/25/632266725.db2.gz CQDRMJZTVNFPGU-ZDUSSCGKSA-N 0 1 257.337 2.961 20 30 CFEDMN C=C[C@H](C)ON=C(C)c1ccc(N2CCOCC2)cc1 ZINC000844623274 632266986 /nfs/dbraw/zinc/26/69/86/632266986.db2.gz LEFWSMPBPGRZKD-ZDUSSCGKSA-N 0 1 274.364 2.838 20 30 CFEDMN C=CCOCCOC(=O)[C@H]1CCCCN1C1CCCC1 ZINC000815444856 632274193 /nfs/dbraw/zinc/27/41/93/632274193.db2.gz LVHODRNOERBYKK-OAHLLOKOSA-N 0 1 281.396 2.529 20 30 CFEDMN CCc1ccc(C#CC(=O)Nc2cc(C#N)ccc2O)cc1 ZINC000815878016 632327650 /nfs/dbraw/zinc/32/76/50/632327650.db2.gz PIXKXTBLTFJDSH-UHFFFAOYSA-N 0 1 290.322 2.816 20 30 CFEDMN CCCCCNC(=O)C(C#N)C(=O)[C@H]1CC2CCC1CC2 ZINC000815904951 632331224 /nfs/dbraw/zinc/33/12/24/632331224.db2.gz UMRZOSVRFIDCGO-WUCCLRPBSA-N 0 1 290.407 2.828 20 30 CFEDMN C[C@H](C(=O)C(C#N)C(=O)Nc1ccccc1)C(C)(F)F ZINC000815907707 632332218 /nfs/dbraw/zinc/33/22/18/632332218.db2.gz IEUBFYMIRROBHK-KOLCDFICSA-N 0 1 280.274 2.625 20 30 CFEDMN CC(C)(CC(=O)[C@@H](C#N)C(=O)Nc1ccccn1)C1CC1 ZINC000815915044 632333030 /nfs/dbraw/zinc/33/30/30/632333030.db2.gz BSPKAHDPCHFMCR-GFCCVEGCSA-N 0 1 285.347 2.555 20 30 CFEDMN C#CCN1CCC[C@@H]1COC(=O)C(C)(C)C(C)(C)C ZINC000815940511 632338102 /nfs/dbraw/zinc/33/81/02/632338102.db2.gz XOCXNNRRLLLUGH-CYBMUJFWSA-N 0 1 265.397 2.700 20 30 CFEDMN CC[C@H](CC(=O)[C@H](C#N)C(=O)NC1CCCC1)C(C)C ZINC000105759326 632363523 /nfs/dbraw/zinc/36/35/23/632363523.db2.gz SJUAVKLQNISYIB-OCCSQVGLSA-N 0 1 278.396 2.826 20 30 CFEDMN N#CC(C(=O)CC1(C#N)CC1)c1cc(C(F)(F)F)ccn1 ZINC000816092612 632370729 /nfs/dbraw/zinc/37/07/29/632370729.db2.gz KCLDKVULHDWSCU-JTQLQIEISA-N 0 1 293.248 2.971 20 30 CFEDMN CCCCCNC(=O)C(C#N)C(=O)CC1(CSC)CC1 ZINC000845444371 632435901 /nfs/dbraw/zinc/43/59/01/632435901.db2.gz RZCLRWCOFSVOCK-LBPRGKRZSA-N 0 1 296.436 2.535 20 30 CFEDMN CC[C@@H](C#N)C(=O)N[C@H](C)c1nc2ccc(Cl)cc2[nH]1 ZINC000845490092 632447504 /nfs/dbraw/zinc/44/75/04/632447504.db2.gz KPPYKFAIVWAHQI-BDAKNGLRSA-N 0 1 290.754 2.943 20 30 CFEDMN C[C@@H]1C[C@H]1C(=O)C(C#N)=C(O)C1(c2ccccc2)CC1 ZINC000845843020 632578082 /nfs/dbraw/zinc/57/80/82/632578082.db2.gz XAOGOPPPGGQVHI-BNOWGMLFSA-N 0 1 267.328 2.652 20 30 CFEDMN N#CC(C(=O)C1(c2ccccc2)CC1)=C(O)[C@@H]1CCCCO1 ZINC000845840398 632578481 /nfs/dbraw/zinc/57/84/81/632578481.db2.gz BCTXTNAVWHMEDN-CABCVRRESA-N 0 1 297.354 2.565 20 30 CFEDMN Cc1c(Cl)c(C=NNc2ccc(C)cn2)nn1C ZINC000817325574 632602594 /nfs/dbraw/zinc/60/25/94/632602594.db2.gz CMFHUBMHGQAZPX-UHFFFAOYSA-N 0 1 263.732 2.531 20 30 CFEDMN C=C(C)C[N@@H+](C)CCOc1ccc(/C=C/C(=O)[O-])cc1 ZINC000846253268 632674380 /nfs/dbraw/zinc/67/43/80/632674380.db2.gz GLIHCPQYDOCHKE-RMKNXTFCSA-N 0 1 275.348 2.671 20 30 CFEDMN C=CC[N@H+](CCCc1ccccc1Cl)CC(=O)[O-] ZINC000846263532 632677202 /nfs/dbraw/zinc/67/72/02/632677202.db2.gz OJGMHDNLHHKDOH-UHFFFAOYSA-N 0 1 267.756 2.845 20 30 CFEDMN CCc1ccc(NC(=O)C(C#N)C(=O)[C@@H]2CC23CC3)cc1 ZINC000817714274 632690104 /nfs/dbraw/zinc/69/01/04/632690104.db2.gz OXIZCWDJPVXORW-KGLIPLIRSA-N 0 1 282.343 2.696 20 30 CFEDMN C=C(C)CONC(=O)[C@@H](CC)c1ccc(OC)cc1 ZINC000846536010 632725163 /nfs/dbraw/zinc/72/51/63/632725163.db2.gz POGPLVIEIUDODW-AWEZNQCLSA-N 0 1 263.337 2.813 20 30 CFEDMN Cc1cc(C#N)ccc1NCCCN1C[C@H](C)O[C@@H](C)C1 ZINC000846745839 632781714 /nfs/dbraw/zinc/78/17/14/632781714.db2.gz QKNOZCIUIODSKY-GJZGRUSLSA-N 0 1 287.407 2.778 20 30 CFEDMN CCOC(CN(CC)Cc1ccc(F)c(C#N)c1)OCC ZINC000846971764 632864312 /nfs/dbraw/zinc/86/43/12/632864312.db2.gz SDGFVKDCCCAVOQ-UHFFFAOYSA-N 0 1 294.370 2.918 20 30 CFEDMN C#C[C@H]1CCCN([C@@H](C)C(=O)Nc2ccc(C)cc2C)C1 ZINC000847022390 632886818 /nfs/dbraw/zinc/88/68/18/632886818.db2.gz HFQHXEAIDVBLMZ-HOTGVXAUSA-N 0 1 284.403 2.976 20 30 CFEDMN C#C[C@H]1CCCN(Cc2cccc3nsnc32)C1 ZINC000847023115 632888483 /nfs/dbraw/zinc/88/84/83/632888483.db2.gz AUDHEAAWRUPXQC-NSHDSACASA-N 0 1 257.362 2.537 20 30 CFEDMN C#C[C@@H]1CCCN([C@H](C)C(=O)N2CCCc3ccccc32)C1 ZINC000847025556 632890645 /nfs/dbraw/zinc/89/06/45/632890645.db2.gz CHLHILPRQMCIKO-HZPDHXFCSA-N 0 1 296.414 2.700 20 30 CFEDMN C#C[C@@H]1CCCN(Cc2cc(C(=O)OC)sc2C)C1 ZINC000847024744 632890968 /nfs/dbraw/zinc/89/09/68/632890968.db2.gz KVEQAPQFEOENRT-GFCCVEGCSA-N 0 1 277.389 2.688 20 30 CFEDMN C#C[C@@H]1CCCN(CC(=O)N[C@@H](C)c2ccc(CC)cc2)C1 ZINC000847030751 632893656 /nfs/dbraw/zinc/89/36/56/632893656.db2.gz RVEVRAYZASCTAY-DOTOQJQBSA-N 0 1 298.430 2.771 20 30 CFEDMN C#C[C@@H]1CCCN(CC(=O)N[C@@H](C)c2ccc(C)c(C)c2)C1 ZINC000847030732 632893833 /nfs/dbraw/zinc/89/38/33/632893833.db2.gz RSAHIUOBKKBTAH-DLBZAZTESA-N 0 1 298.430 2.826 20 30 CFEDMN C=C(Br)CNC[C@@H](O)[C@@H](C)c1ccccc1 ZINC000818978885 632920700 /nfs/dbraw/zinc/92/07/00/632920700.db2.gz BAEDHMVNGMSIQJ-WCQYABFASA-N 0 1 284.197 2.649 20 30 CFEDMN CC[C@](C)(C#N)NC(=O)c1cccc(C(F)(F)F)c1O ZINC000847412922 632984386 /nfs/dbraw/zinc/98/43/86/632984386.db2.gz DNOKQNWBHWHLQS-GFCCVEGCSA-N 0 1 286.253 2.833 20 30 CFEDMN CC(C)(C#N)CNC[C@H](O)c1ccc(Cl)cc1 ZINC000819218045 633022635 /nfs/dbraw/zinc/02/26/35/633022635.db2.gz BYHQCLRUPRPBQJ-LBPRGKRZSA-N 0 1 252.745 2.513 20 30 CFEDMN C=C(C)C(C)(C)C(=O)NOCc1ccccc1OC ZINC000819522326 633201021 /nfs/dbraw/zinc/20/10/21/633201021.db2.gz PKEBTWMGRXOPBX-UHFFFAOYSA-N 0 1 263.337 2.845 20 30 CFEDMN O=C([O-])c1cccc(N=NC2CCC[N@H+]3CCCC[C@H]23)c1 ZINC000848399609 633248919 /nfs/dbraw/zinc/24/89/19/633248919.db2.gz UXPILECOHNCDCZ-OAHLLOKOSA-N 0 1 287.363 2.801 20 30 CFEDMN COc1cc(F)cc(N=NC2CCCn3ccnc32)c1 ZINC000848406880 633250308 /nfs/dbraw/zinc/25/03/08/633250308.db2.gz KERYPHARICKLKZ-UHFFFAOYSA-N 0 1 274.299 2.641 20 30 CFEDMN C=CCC[C@@H](NC[C@H]1CN(C2CC2)C(=O)O1)c1ccco1 ZINC000848569113 633291942 /nfs/dbraw/zinc/29/19/42/633291942.db2.gz CBYXNGOUNZGJTG-UONOGXRCSA-N 0 1 290.363 2.860 20 30 CFEDMN C#CCN1CCC(C(=O)OCCC(C)(C)C2CC2)CC1 ZINC000848719946 633324337 /nfs/dbraw/zinc/32/43/37/633324337.db2.gz PDCIIWXDZZXZKU-UHFFFAOYSA-N 0 1 277.408 2.701 20 30 CFEDMN C#C[C@@H]1CCCN(Cc2cc3c(cc2OC)C[C@@H](C)O3)C1 ZINC000848923233 633404599 /nfs/dbraw/zinc/40/45/99/633404599.db2.gz HFXQGCKTMMSGCW-ZIAGYGMSSA-N 0 1 285.387 2.864 20 30 CFEDMN C#C[C@H]1CCCN(Cc2ccnn2-c2ccc(F)cc2)C1 ZINC000848923945 633406366 /nfs/dbraw/zinc/40/63/66/633406366.db2.gz LONVOKPMVISFLB-AWEZNQCLSA-N 0 1 283.350 2.857 20 30 CFEDMN C#C[C@H]1CCCN(Cc2c[nH]c(-c3ccccc3)n2)C1 ZINC000848924739 633407926 /nfs/dbraw/zinc/40/79/26/633407926.db2.gz ZELSTCYWBNBTEW-AWEZNQCLSA-N 0 1 265.360 2.922 20 30 CFEDMN C#C[C@@H]1CCCN(Cc2cnn(-c3ccc(F)cc3)c2)C1 ZINC000848924373 633408038 /nfs/dbraw/zinc/40/80/38/633408038.db2.gz QXQOACJLQWIZMN-CQSZACIVSA-N 0 1 283.350 2.857 20 30 CFEDMN Cn1ncc(C2CC2)c1/C=C/C(=O)c1ccc(O)cc1O ZINC000849247413 633589710 /nfs/dbraw/zinc/58/97/10/633589710.db2.gz SLYAPQLOQBNYLP-VOTSOKGWSA-N 0 1 284.315 2.605 20 30 CFEDMN C=C(C)C(C)(C)C(=O)O[C@H](C)c1n[nH]c(CC)n1 ZINC000849812381 633731806 /nfs/dbraw/zinc/73/18/06/633731806.db2.gz XUPVYENNRLSMFZ-SECBINFHSA-N 0 1 251.330 2.574 20 30 CFEDMN C=CC[C@H](NCc1cnn2c1CCC2)c1ccncc1 ZINC000850137027 633851502 /nfs/dbraw/zinc/85/15/02/633851502.db2.gz ILEZTNPMDNFXDA-HNNXBMFYSA-N 0 1 268.364 2.631 20 30 CFEDMN C#CC[C@@H](NCc1cnc(C)n1C)c1ccccc1 ZINC000850227044 633902596 /nfs/dbraw/zinc/90/25/96/633902596.db2.gz WNJNISHVMGSGNT-MRXNPFEDSA-N 0 1 253.349 2.583 20 30 CFEDMN N#Cc1ccc(CNCc2ccc(C3(C#N)CC3)cc2)nc1 ZINC000850265509 633918294 /nfs/dbraw/zinc/91/82/94/633918294.db2.gz DVLYNBTVPQMHKL-UHFFFAOYSA-N 0 1 288.354 2.798 20 30 CFEDMN C#Cc1cccc(CNCc2c(C(F)(F)F)cnn2C)c1 ZINC000850320910 633941002 /nfs/dbraw/zinc/94/10/02/633941002.db2.gz IBFDJNOBMAXQFE-UHFFFAOYSA-N 0 1 293.292 2.710 20 30 CFEDMN C#CCOc1ccccc1CN[C@H]1C[C@@H](O)c2ccccc21 ZINC000850371230 633961212 /nfs/dbraw/zinc/96/12/12/633961212.db2.gz VXXOYYACCIQLBU-ZWKOTPCHSA-N 0 1 293.366 2.967 20 30 CFEDMN C#C[C@H](N[C@@H](C)c1ccc2c(c1)CCCO2)[C@H]1CCCO1 ZINC000850460687 634002866 /nfs/dbraw/zinc/00/28/66/634002866.db2.gz BIOCKXLDOARKEO-QANKJYHBSA-N 0 1 285.387 2.843 20 30 CFEDMN C=C[C@H](CO)[NH2+][C@@H](CC)c1cc(Cl)ccc1[O-] ZINC000850573243 634058337 /nfs/dbraw/zinc/05/83/37/634058337.db2.gz XPOCATNOOWGUNF-PWSUYJOCSA-N 0 1 255.745 2.633 20 30 CFEDMN CCCCCCNC(=O)C(C#N)C(=O)C1CC2(CC2)C1 ZINC000850752509 634079627 /nfs/dbraw/zinc/07/96/27/634079627.db2.gz PEDMFJVCOFBOJI-CYBMUJFWSA-N 0 1 276.380 2.582 20 30 CFEDMN N#CC(C(=O)Nc1ccccc1)C(=O)[C@@H]1CCC[C@H]2C[C@H]21 ZINC000850760965 634081648 /nfs/dbraw/zinc/08/16/48/634081648.db2.gz YLMVSIMJJBZJSM-MYPMTAMASA-N 0 1 282.343 2.770 20 30 CFEDMN CC1(C)CC[C@H]1C(=O)C(C#N)C(=O)Nc1ccccc1 ZINC000850759703 634081733 /nfs/dbraw/zinc/08/17/33/634081733.db2.gz MJXLEFKYSVJGIV-STQMWFEESA-N 0 1 270.332 2.770 20 30 CFEDMN N#CC(C(=O)[C@@H]1CCC[C@@H]2C[C@@H]21)c1nnc2n1CCCCC2 ZINC000850782149 634090977 /nfs/dbraw/zinc/09/09/77/634090977.db2.gz JIFKQMYEVGHRFZ-YIYPIFLZSA-N 0 1 298.390 2.617 20 30 CFEDMN C#CCN1CCC[C@H]1COC(=O)C1CCC2(CC2)CC1 ZINC000850826257 634104006 /nfs/dbraw/zinc/10/40/06/634104006.db2.gz KXHPDMGYHXPJFZ-HNNXBMFYSA-N 0 1 275.392 2.598 20 30 CFEDMN Cc1cccc(CNC(=O)C(C#N)C(=O)[C@H]2CCC2(C)C)c1 ZINC000850977032 634163356 /nfs/dbraw/zinc/16/33/56/634163356.db2.gz LRKKLUSCUXZRNP-LSDHHAIUSA-N 0 1 298.386 2.756 20 30 CFEDMN C=CC(C)(C)CCOC(=O)C(C)(C)NC(=O)C(F)(F)F ZINC000851300617 634311829 /nfs/dbraw/zinc/31/18/29/634311829.db2.gz XFFTWCCFDNVGGT-UHFFFAOYSA-N 0 1 295.301 2.589 20 30 CFEDMN C#Cc1cccnc1NC[C@H](C)N1CCc2sccc2C1 ZINC000853151384 634920675 /nfs/dbraw/zinc/92/06/75/634920675.db2.gz OVFLSTCESMSOKA-ZDUSSCGKSA-N 0 1 297.427 2.983 20 30 CFEDMN C=C[C@H](CC(=O)O[C@@H](C)c1nnc[nH]1)c1ccccc1 ZINC000853222504 634941816 /nfs/dbraw/zinc/94/18/16/634941816.db2.gz NLJBADSAUDOQDK-NWDGAFQWSA-N 0 1 271.320 2.769 20 30 CFEDMN Cn1ncc(C2CCC2)c1C=NNc1ccc(F)cn1 ZINC000853304843 634964023 /nfs/dbraw/zinc/96/40/23/634964023.db2.gz DRGWYVZLEFXGRS-UHFFFAOYSA-N 0 1 273.315 2.668 20 30 CFEDMN O=c1[nH]c(N=NC[C@@H]2C[C@H]3C[C@H]3C2)nc2ccccc21 ZINC000853319038 634966838 /nfs/dbraw/zinc/96/68/38/634966838.db2.gz JVWLTQIWJOQYPG-JGPRNRPPSA-N 0 1 268.320 2.779 20 30 CFEDMN O=C1Nc2cc(O)c(Cl)cc2C1=NNC1CCCCC1 ZINC000853336577 634974278 /nfs/dbraw/zinc/97/42/78/634974278.db2.gz FLIKRJLSGDOWJJ-UHFFFAOYSA-N 0 1 293.754 2.624 20 30 CFEDMN COc1cc(C=NN2CCCC[C@H]2C)cc([N+](=O)[O-])c1O ZINC000853379336 634987551 /nfs/dbraw/zinc/98/75/51/634987551.db2.gz NTYAKMNBYVUCGK-SNVBAGLBSA-N 0 1 293.323 2.517 20 30 CFEDMN CCC(N=Nc1ccnc(Cl)c1)c1ccn(C)n1 ZINC000853395227 634992148 /nfs/dbraw/zinc/99/21/48/634992148.db2.gz PMDHNWBBIUIETR-UHFFFAOYSA-N 0 1 263.732 2.695 20 30 CFEDMN CCC(N=Nc1ccncc1F)c1ccc(N(C)C)cc1 ZINC000853401928 634994890 /nfs/dbraw/zinc/99/48/90/634994890.db2.gz IJPSNLPPWHYPON-UHFFFAOYSA-N 0 1 286.354 2.935 20 30 CFEDMN Fc1cnccc1[N-][NH+]=C1CC[C@@H]2CNc3cccc1c32 ZINC000853402533 634995473 /nfs/dbraw/zinc/99/54/73/634995473.db2.gz AJYBEJNPXYTLKK-SNVBAGLBSA-N 0 1 282.322 2.762 20 30 CFEDMN C[C@H]1C[C@H]1c1ccc(CN=Nc2ccncc2F)o1 ZINC000853402402 634995669 /nfs/dbraw/zinc/99/56/69/634995669.db2.gz YIWUXHLOOMSUFA-GXSJLCMTSA-N 0 1 259.284 2.805 20 30 CFEDMN CCc1cccc(Cl)c1C=NNc1nnc(C)n1C ZINC000853431520 634997823 /nfs/dbraw/zinc/99/78/23/634997823.db2.gz BCCPLGLFMYOQEA-UHFFFAOYSA-N 0 1 277.759 2.785 20 30 CFEDMN CC(C)(C)n1cc(C=NNc2ccc(Cl)cn2)nn1 ZINC000853437235 634999175 /nfs/dbraw/zinc/99/91/75/634999175.db2.gz HBGIBHCQARWORD-UHFFFAOYSA-N 0 1 278.747 2.528 20 30 CFEDMN CC(C)(C)c1[nH]n(CCOC(F)F)c(=O)c1CCC#N ZINC000853675806 635070809 /nfs/dbraw/zinc/07/08/09/635070809.db2.gz BMNWYYTWJGWTTQ-UHFFFAOYSA-N 0 1 287.310 2.582 20 30 CFEDMN C#CCCCN1CC(C)(c2nnc(-c3cccc(F)c3)o2)C1 ZINC000854086588 635207138 /nfs/dbraw/zinc/20/71/38/635207138.db2.gz GIQRBMRAPUVKTC-UHFFFAOYSA-N 0 1 299.349 2.862 20 30 CFEDMN C=CCCCCCCCNC(=O)[C@H]1CCCc2n[nH]nc21 ZINC000854499722 635318444 /nfs/dbraw/zinc/31/84/44/635318444.db2.gz JDKNOZSDABRWCF-ZDUSSCGKSA-N 0 1 290.411 2.867 20 30 CFEDMN C=CC[C@H]1CCCN(C(=O)c2nc[nH]c2C(F)(F)F)C1 ZINC000855437686 635550198 /nfs/dbraw/zinc/55/01/98/635550198.db2.gz ZYJSNLJRKBNCHF-VIFPVBQESA-N 0 1 287.285 2.857 20 30 CFEDMN C=CC[C@@H]1CCCN(C(=O)c2nnc3ccccc3c2O)C1 ZINC000855439024 635552290 /nfs/dbraw/zinc/55/22/90/635552290.db2.gz UAUBMDYSNPQJAM-GFCCVEGCSA-N 0 1 297.358 2.764 20 30 CFEDMN C=CCC1(NC(=O)c2nnc3ccccc3c2O)CCCC1 ZINC000855927117 635691090 /nfs/dbraw/zinc/69/10/90/635691090.db2.gz CPKTWJWBBHRMNN-UHFFFAOYSA-N 0 1 297.358 2.954 20 30 CFEDMN C=CCCONC(=O)[C@@H](C)[C@H]1OCCc2sccc21 ZINC000856035906 635710523 /nfs/dbraw/zinc/71/05/23/635710523.db2.gz NEFHVCGVRSNUSC-GXFFZTMASA-N 0 1 281.377 2.622 20 30 CFEDMN C#CCOc1ccccc1CN(CCO)Cc1ccccc1 ZINC000158326413 650223597 /nfs/dbraw/zinc/22/35/97/650223597.db2.gz ZSLUFYHHQYMYQE-UHFFFAOYSA-N 0 1 295.382 2.693 20 30 CFEDMN CC#CCN1CCC[C@@H](Oc2ccc(C3CC3)cn2)C1 ZINC000858017030 636116426 /nfs/dbraw/zinc/11/64/26/636116426.db2.gz JWHKCYMKPKLTOH-MRXNPFEDSA-N 0 1 270.376 2.826 20 30 CFEDMN N#CCCCC[NH2+]Cc1c([O-])cccc1Br ZINC000858125527 636134646 /nfs/dbraw/zinc/13/46/46/636134646.db2.gz JPPANNGYSUXVOT-UHFFFAOYSA-N 0 1 283.169 2.938 20 30 CFEDMN C[C@@H](NC[C@@H](O)CC1(C#N)CC1)c1c(F)cccc1F ZINC000859229584 636515717 /nfs/dbraw/zinc/51/57/17/636515717.db2.gz ZDZUQTMMWDBHHC-MNOVXSKESA-N 0 1 280.318 2.670 20 30 CFEDMN CCc1ccc(NC(=O)C(C#N)C(=O)c2conc2C)cc1 ZINC000860468464 636892346 /nfs/dbraw/zinc/89/23/46/636892346.db2.gz COOKZFPTJADFRW-ZDUSSCGKSA-N 0 1 297.314 2.507 20 30 CFEDMN C#CCN1CCC[C@@H]1COC(=O)CC1CCC(F)(F)CC1 ZINC000860529943 636905617 /nfs/dbraw/zinc/90/56/17/636905617.db2.gz OHWBBMLVJGIFFI-CQSZACIVSA-N 0 1 299.361 2.843 20 30 CFEDMN CCO[C@H](C(=O)[C@H](C#N)c1nc2cccc(C)c2[nH]1)C1CC1 ZINC000860555901 636909555 /nfs/dbraw/zinc/90/95/55/636909555.db2.gz LGGXGBURBPGTMW-LRDDRELGSA-N 0 1 297.358 2.863 20 30 CFEDMN CC[C@@H](NC(=O)C(C#N)C(=O)C12CC(C1)C2)c1ccccc1 ZINC000860693332 636948297 /nfs/dbraw/zinc/94/82/97/636948297.db2.gz GBGIHBLUVCCYGO-VTPHYOBMSA-N 0 1 296.370 2.763 20 30 CFEDMN C#Cc1cccc(NC(=O)CN(C)CCCCC)c1 ZINC000117873770 637030203 /nfs/dbraw/zinc/03/02/03/637030203.db2.gz YVZXTFMCTVGOQV-UHFFFAOYSA-N 0 1 258.365 2.728 20 30 CFEDMN CCCCCCCCOCC(=O)N1CCc2nc[nH]c2C1 ZINC000861761089 637233184 /nfs/dbraw/zinc/23/31/84/637233184.db2.gz WVFYIEDPJVRACS-UHFFFAOYSA-N 0 1 293.411 2.672 20 30 CFEDMN CCCCCCCCCNC(=O)c1[nH]nc2c1CNCC2 ZINC000188265345 650320686 /nfs/dbraw/zinc/32/06/86/650320686.db2.gz KTPAMOUFUQTECI-UHFFFAOYSA-N 0 1 292.427 2.536 20 30 CFEDMN C=CC[C@H]1CCCN(Cc2cn(C)nc2Br)C1 ZINC000862410452 637365022 /nfs/dbraw/zinc/36/50/22/637365022.db2.gz ZYDPXGVRYHOTEB-NSHDSACASA-N 0 1 298.228 2.971 20 30 CFEDMN C#CC[C@H]1CCN(Cc2csc([N+](=O)[O-])c2)C1 ZINC000862443229 637383400 /nfs/dbraw/zinc/38/34/00/637383400.db2.gz MFRGPVHGIGRUMW-JTQLQIEISA-N 0 1 250.323 2.502 20 30 CFEDMN C#CC[C@@H]1CCN(C(=O)c2cc(-c3ccccc3)[nH]n2)C1 ZINC000862559973 637427086 /nfs/dbraw/zinc/42/70/86/637427086.db2.gz HJVWMQQFTWLLKU-CYBMUJFWSA-N 0 1 279.343 2.562 20 30 CFEDMN C#CC[C@H]1CCN(C(=O)c2cc(CCCCC)[nH]n2)C1 ZINC000862576331 637441971 /nfs/dbraw/zinc/44/19/71/637441971.db2.gz HCXWYJMJUUUFKU-ZDUSSCGKSA-N 0 1 273.380 2.628 20 30 CFEDMN COc1ccc(NN=C(C)c2nc(C)cs2)nc1 ZINC000863107773 637557365 /nfs/dbraw/zinc/55/73/65/637557365.db2.gz AAVVVRVLFJQNBW-UHFFFAOYSA-N 0 1 262.338 2.691 20 30 CFEDMN Cc1cnccc1NN=C1CSCCc2ccccc21 ZINC000863156980 637569752 /nfs/dbraw/zinc/56/97/52/637569752.db2.gz FMYAFYCPCJMSCM-UHFFFAOYSA-N 0 1 283.400 2.917 20 30 CFEDMN COC[C@@H](C)Oc1ccc(C=NNc2ccncc2C)cc1 ZINC000863157904 637571163 /nfs/dbraw/zinc/57/11/63/637571163.db2.gz KTAYFOZOMHHROZ-CQSZACIVSA-N 0 1 299.374 2.672 20 30 CFEDMN CC(=NNc1ccncc1C)c1coc(C(C)C)n1 ZINC000863157821 637571420 /nfs/dbraw/zinc/57/14/20/637571420.db2.gz HIYFRCAKMLLQGR-UHFFFAOYSA-N 0 1 258.325 2.759 20 30 CFEDMN CC(=NNc1ccncc1C)c1ccc2c(c1)COC2 ZINC000863157086 637571823 /nfs/dbraw/zinc/57/18/23/637571823.db2.gz HOSZLGJJUYWCRS-UHFFFAOYSA-N 0 1 267.332 2.678 20 30 CFEDMN COc1ccc2c(c1F)CCC2=NNc1ccncc1C ZINC000863158104 637571892 /nfs/dbraw/zinc/57/18/92/637571892.db2.gz NWVMGQCCUPBIJQ-UHFFFAOYSA-N 0 1 285.322 2.722 20 30 CFEDMN Cc1cnccc1NN=Cc1ccc([C@@H]2C[C@H]2C)o1 ZINC000863157108 637572043 /nfs/dbraw/zinc/57/20/43/637572043.db2.gz IOGICQWWUKBZKV-ZWNOBZJWSA-N 0 1 255.321 2.974 20 30 CFEDMN N#Cc1ccc(O)c(-c2cnn([C@H]3CCCCO3)c2)c1 ZINC000863725773 637760683 /nfs/dbraw/zinc/76/06/83/637760683.db2.gz ASVFVIVVTFQMKK-OAHLLOKOSA-N 0 1 269.304 2.826 20 30 CFEDMN CCCCCCNC(=O)C(C#N)C(=O)CCC(C)C ZINC000076295842 650378124 /nfs/dbraw/zinc/37/81/24/650378124.db2.gz USSTXRZJDYQMMX-ZDUSSCGKSA-N 0 1 266.385 2.828 20 30 CFEDMN CCCCCCNC(=O)C(C#N)C(=O)CCC(C)C ZINC000076295843 650378594 /nfs/dbraw/zinc/37/85/94/650378594.db2.gz USSTXRZJDYQMMX-CYBMUJFWSA-N 0 1 266.385 2.828 20 30 CFEDMN CCn1ncc(C/N=C/c2cc(Cl)cc(Cl)c2O)n1 ZINC000864344843 637945739 /nfs/dbraw/zinc/94/57/39/637945739.db2.gz IAKYNSQGYSMQDQ-PJQLUOCWSA-N 0 1 299.161 2.930 20 30 CFEDMN C=C(C)C[C@@H]([NH2+]Cc1nc(C(C)(C)C)cs1)C(=O)[O-] ZINC000864529137 638013471 /nfs/dbraw/zinc/01/34/71/638013471.db2.gz CWIUZCVTYBTLRO-SNVBAGLBSA-N 0 1 282.409 2.950 20 30 CFEDMN C#Cc1cccc(NC(=O)c2[nH]cnc2C(C)(C)C)c1 ZINC000864672240 638062343 /nfs/dbraw/zinc/06/23/43/638062343.db2.gz KKOOUERUACVLGJ-UHFFFAOYSA-N 0 1 267.332 2.941 20 30 CFEDMN C=CCCCN(C)CN1C(=O)C[C@@H]1c1ccccc1 ZINC000076664607 650396922 /nfs/dbraw/zinc/39/69/22/650396922.db2.gz HGQGNGPKQCSDTF-OAHLLOKOSA-N 0 1 258.365 2.816 20 30 CFEDMN C[C@@H]1CCC[C@H](C(=O)C(C#N)C(=O)NC2CCCC2)C1 ZINC000076839019 650406772 /nfs/dbraw/zinc/40/67/72/650406772.db2.gz IVFRXXHEQJMQKV-MBNYWOFBSA-N 0 1 276.380 2.580 20 30 CFEDMN COc1ccccc1CNCc1cc(C#N)ccc1N(C)C ZINC000865397586 638308717 /nfs/dbraw/zinc/30/87/17/638308717.db2.gz INEAUJYJTYTUKE-UHFFFAOYSA-N 0 1 295.386 2.923 20 30 CFEDMN CCCN1CCN(c2cc(C(F)(F)F)cc(C#N)n2)CC1 ZINC000865404117 638313991 /nfs/dbraw/zinc/31/39/91/638313991.db2.gz AZHQNEDFDCAXCW-UHFFFAOYSA-N 0 1 298.312 2.504 20 30 CFEDMN C=C(C)CN1CCC(Nc2cccc(C(C)=O)n2)CC1 ZINC000865522079 638394857 /nfs/dbraw/zinc/39/48/57/638394857.db2.gz JVIPNHAXGZALIS-UHFFFAOYSA-N 0 1 273.380 2.737 20 30 CFEDMN C#C[C@H](NCc1cnc2c(F)cccc2c1)[C@@H]1CCCO1 ZINC000865531135 638400513 /nfs/dbraw/zinc/40/05/13/638400513.db2.gz HHXSICUYOGXXEO-HOTGVXAUSA-N 0 1 284.334 2.644 20 30 CFEDMN C#CC[C@H](COC)NCc1ccc(OC(F)F)cc1F ZINC000865646097 638485406 /nfs/dbraw/zinc/48/54/06/638485406.db2.gz GAPZUSWURNOERY-LLVKDONJSA-N 0 1 287.281 2.555 20 30 CFEDMN C[C@@H]1CN(c2cc(C(F)(F)F)cc(C#N)n2)[C@@H](C)CN1C ZINC000865652529 638488652 /nfs/dbraw/zinc/48/86/52/638488652.db2.gz AUASJDZAGJKOLE-ZJUUUORDSA-N 0 1 298.312 2.501 20 30 CFEDMN N#Cc1ccccc1N1CCC(NCc2cscn2)CC1 ZINC000865697085 638521049 /nfs/dbraw/zinc/52/10/49/638521049.db2.gz RZMDQWNKHSILNN-UHFFFAOYSA-N 0 1 298.415 2.773 20 30 CFEDMN N#CC(C(=O)[C@@H]1CCOc2ccccc21)c1ccccn1 ZINC000077559218 650432229 /nfs/dbraw/zinc/43/22/29/650432229.db2.gz LJQZJENGBNECGX-KGLIPLIRSA-N 0 1 278.311 2.824 20 30 CFEDMN C[C@@H](C#N)Oc1ccc(CN[C@H]2CCCn3nccc32)cc1 ZINC000865871298 638629824 /nfs/dbraw/zinc/62/98/24/638629824.db2.gz GVMHEXBPWPMGMD-BBRMVZONSA-N 0 1 296.374 2.799 20 30 CFEDMN N#Cc1ccc(CNCc2cc3c([nH]c2=O)CCCC3)cc1 ZINC000865880228 638639768 /nfs/dbraw/zinc/63/97/68/638639768.db2.gz WQRGOIPHDCYVIC-UHFFFAOYSA-N 0 1 293.370 2.827 20 30 CFEDMN N#Cc1cccc(CNCc2cc3c([nH]c2=O)CCCC3)c1 ZINC000865879099 638640081 /nfs/dbraw/zinc/64/00/81/638640081.db2.gz IHSWUYLHWQSXDU-UHFFFAOYSA-N 0 1 293.370 2.827 20 30 CFEDMN C#CC1CCN(c2ccncc2C(F)(F)F)CC1 ZINC000865900742 638649918 /nfs/dbraw/zinc/64/99/18/638649918.db2.gz UHLATEQDVZOGIU-UHFFFAOYSA-N 0 1 254.255 2.950 20 30 CFEDMN Cc1cc([C@@H](C)N[C@@H]2Cc3ccc(C#N)cc3C2)no1 ZINC000866617805 638855934 /nfs/dbraw/zinc/85/59/34/638855934.db2.gz PTNBAMACYYROAV-IAQYHMDHSA-N 0 1 267.332 2.673 20 30 CFEDMN C=C(Cl)CN1CCC2(C[C@H]2NC(=O)[C@H]2CC2(C)C)CC1 ZINC001016577739 651237905 /nfs/dbraw/zinc/23/79/05/651237905.db2.gz YUEHIEJDRGRUIY-CHWSQXEVSA-N 0 1 296.842 2.756 20 30 CFEDMN CC[C@@H]1CC[C@H](C)N1C(=O)[C@@H]1NCCc2cc(C#N)ccc21 ZINC000867977428 638910244 /nfs/dbraw/zinc/91/02/44/638910244.db2.gz HCKAXDCYUHEXCO-XGWLTEMNSA-N 0 1 297.402 2.535 20 30 CFEDMN C=C[C@@](C)(CC)C(=O)N1CCN(CCC(C)C)CC1 ZINC000190940298 650469622 /nfs/dbraw/zinc/46/96/22/650469622.db2.gz CYUKDYWSVKTYGB-INIZCTEOSA-N 0 1 266.429 2.779 20 30 CFEDMN CCCC1(C(=O)NOc2cccc(C#N)c2)CCC1 ZINC000870690710 639773908 /nfs/dbraw/zinc/77/39/08/639773908.db2.gz CUVKPICWKRYVPN-UHFFFAOYSA-N 0 1 258.321 2.939 20 30 CFEDMN CC(C)(C)SCC(=O)Nc1nc2ccc(C#N)cc2[nH]1 ZINC000871070057 641183604 /nfs/dbraw/zinc/18/36/04/641183604.db2.gz FKSHLWZYCJLNGS-UHFFFAOYSA-N 0 1 288.376 2.905 20 30 CFEDMN C[C@@H]1C[C@@H]1[C@@H]1C[C@@H]1C(=O)Nc1nc2ccc(C#N)cc2[nH]1 ZINC000871071453 641184879 /nfs/dbraw/zinc/18/48/79/641184879.db2.gz JXZGWBKTFKWFEI-QTKMDUPCSA-N 0 1 280.331 2.665 20 30 CFEDMN C[C@@H]1C[C@@H]1[C@H]1C[C@@H]1C(=O)Nc1nc2ccc(C#N)cc2[nH]1 ZINC000871071451 641184942 /nfs/dbraw/zinc/18/49/42/641184942.db2.gz JXZGWBKTFKWFEI-KLHWPWHYSA-N 0 1 280.331 2.665 20 30 CFEDMN CCC[C@H](C)C(=O)Nc1nc2ccc(C#N)cc2[nH]1 ZINC000871071188 641184969 /nfs/dbraw/zinc/18/49/69/641184969.db2.gz SKYIPBNYUGFVOJ-VIFPVBQESA-N 0 1 256.309 2.809 20 30 CFEDMN C[C@@H](CC(=O)Nc1nc2ccc(C#N)cc2[nH]1)C(F)(F)F ZINC000871070707 641185286 /nfs/dbraw/zinc/18/52/86/641185286.db2.gz BIZJWRUNXMEPPH-ZETCQYMHSA-N 0 1 296.252 2.962 20 30 CFEDMN CCC(C)(C)OCC(=O)Nc1nc2ccc(C#N)cc2[nH]1 ZINC000871072684 641186265 /nfs/dbraw/zinc/18/62/65/641186265.db2.gz NYIUMIQHXAXJNU-UHFFFAOYSA-N 0 1 286.335 2.578 20 30 CFEDMN N#Cc1ccc2nc(NC(=O)C3(F)CCCC3)[nH]c2c1 ZINC000871072657 641186644 /nfs/dbraw/zinc/18/66/44/641186644.db2.gz NGKFMJNNQNITCO-UHFFFAOYSA-N 0 1 272.283 2.655 20 30 CFEDMN C#CCOc1cccc(NC(=O)c2c(O)cccc2F)c1 ZINC000123700550 641361794 /nfs/dbraw/zinc/36/17/94/641361794.db2.gz NMJPTBDVXRUDOR-UHFFFAOYSA-N 0 1 285.274 2.796 20 30 CFEDMN Cc1ccc(SCCN2C[C@H]3CC[C@@H](C2)O3)c(C#N)c1 ZINC000871687277 641404867 /nfs/dbraw/zinc/40/48/67/641404867.db2.gz WNLBHOSRNZCFDJ-GASCZTMLSA-N 0 1 288.416 2.822 20 30 CFEDMN Cc1csc([C@@H](C)NC[C@@H](O)c2ccc(C#N)cc2)n1 ZINC000080313841 650662571 /nfs/dbraw/zinc/66/25/71/650662571.db2.gz DSLBAGODWKEADO-BXUZGUMPSA-N 0 1 287.388 2.707 20 30 CFEDMN Cc1nccnc1[C@H](C)N[C@@H]1CCc2ccc(C#N)cc21 ZINC000872132676 641660413 /nfs/dbraw/zinc/66/04/13/641660413.db2.gz HDQAGWFGTPYOIS-BLLLJJGKSA-N 0 1 278.359 2.995 20 30 CFEDMN C#CC[C@H]1CCC[N@H+]([C@@H](C(=O)[O-])c2cccc(OC)c2)C1 ZINC000872160139 641680677 /nfs/dbraw/zinc/68/06/77/641680677.db2.gz BFRQPHDPJGBZCI-XJKSGUPXSA-N 0 1 287.359 2.556 20 30 CFEDMN CC[C@H](NC[C@H](C#N)CCC#N)[C@H](O)c1ccccc1 ZINC000872252605 641718773 /nfs/dbraw/zinc/71/87/73/641718773.db2.gz UCKULXXKUVSYFO-CWRNSKLLSA-N 0 1 271.364 2.532 20 30 CFEDMN N#CCC[C@@H](C#N)CN1CCC[C@@H](OC2CCC2)CC1 ZINC000872274751 641733678 /nfs/dbraw/zinc/73/36/78/641733678.db2.gz BLCOXMSLPMJJQT-GOEBONIOSA-N 0 1 275.396 2.854 20 30 CFEDMN c1ccc(CON=C2CCCN3CCSC[C@H]23)cc1 ZINC000872340726 641759358 /nfs/dbraw/zinc/75/93/58/641759358.db2.gz MDGVNJRDOPVWQI-OAHLLOKOSA-N 0 1 276.405 2.770 20 30 CFEDMN C[C@@H]1CCCCN1N=Cc1cc(C#N)ccc1N(C)C ZINC000872388353 641787225 /nfs/dbraw/zinc/78/72/25/641787225.db2.gz GCBNFWHMPJHIDC-CYBMUJFWSA-N 0 1 270.380 2.833 20 30 CFEDMN C[C@@H]1C(N=Nc2ccnc(C(F)(F)F)c2)CCN1C ZINC000872394700 641790069 /nfs/dbraw/zinc/79/00/69/641790069.db2.gz YYHLPRDTHLEAQI-MRVPVSSYSA-N 0 1 272.274 2.592 20 30 CFEDMN FC(F)(F)c1cc(C=NNC[C@@H]2CCCC2(F)F)[nH]n1 ZINC000872407467 641797195 /nfs/dbraw/zinc/79/71/95/641797195.db2.gz ULCRWMQCBDHWOB-ZETCQYMHSA-N 0 1 296.243 2.787 20 30 CFEDMN CC(C)N1CC(N=Nc2nc3ccncc3s2)[C@@H](C)C1 ZINC000872412906 641800132 /nfs/dbraw/zinc/80/01/32/641800132.db2.gz OERGEETXLVSLQQ-JTQLQIEISA-N 0 1 289.408 2.819 20 30 CFEDMN Cc1cc(=NN=C2CCCc3cc(F)ccc32)nc(N)[nH]1 ZINC000872419923 641804655 /nfs/dbraw/zinc/80/46/55/641804655.db2.gz AUDIFALSLCFXTM-UHFFFAOYSA-N 0 1 285.326 2.659 20 30 CFEDMN CCCOc1ccc(C(C)=NN=c2cc(C)[nH]c(N)n2)cc1 ZINC000872420385 641806079 /nfs/dbraw/zinc/80/60/79/641806079.db2.gz PWHVIHZWPIRQNS-UHFFFAOYSA-N 0 1 299.378 2.992 20 30 CFEDMN CCCCSCCC(=O)C(C#N)C(=O)NC1CCCC1 ZINC000124154138 641860177 /nfs/dbraw/zinc/86/01/77/641860177.db2.gz UWIMKDZORCVQKR-ZDUSSCGKSA-N 0 1 296.436 2.677 20 30 CFEDMN C=C1C[C@H]2CC[C@@H](C1)N2CN1CCC2(CCCC2)C1=O ZINC000872622578 641878999 /nfs/dbraw/zinc/87/89/99/641878999.db2.gz HZDQQAWIVQAKMR-GASCZTMLSA-N 0 1 274.408 2.920 20 30 CFEDMN CC(C)c1cc([C@H]2CCCN(c3ccnc(C#N)n3)C2)[nH]n1 ZINC000872649334 641886780 /nfs/dbraw/zinc/88/67/80/641886780.db2.gz XSQDKWVOHAMRLB-LBPRGKRZSA-N 0 1 296.378 2.579 20 30 CFEDMN COc1cc(CN(C)[C@@H]2CCC[C@H]2C#N)c(O)cc1C ZINC000872685428 641895731 /nfs/dbraw/zinc/89/57/31/641895731.db2.gz ZEGSEEIJGICQHF-GXTWGEPZSA-N 0 1 274.364 2.833 20 30 CFEDMN Cc1ncc(CCNCc2cccc(F)c2C#N)s1 ZINC000873090041 642011734 /nfs/dbraw/zinc/01/17/34/642011734.db2.gz MRHBAONSWSVLHL-UHFFFAOYSA-N 0 1 275.352 2.795 20 30 CFEDMN N#Cc1c(F)cccc1CN[C@H](CCO)Cc1ccccc1 ZINC000873122597 642019093 /nfs/dbraw/zinc/01/90/93/642019093.db2.gz UKSMALXGMOLXLG-MRXNPFEDSA-N 0 1 298.361 2.781 20 30 CFEDMN CC[C@@H](NCc1nc(C#N)cs1)[C@H](O)c1ccccc1 ZINC000873194843 642059210 /nfs/dbraw/zinc/05/92/10/642059210.db2.gz JGQPYBIXEHVFSR-UKRRQHHQSA-N 0 1 287.388 2.617 20 30 CFEDMN N#Cc1ccc(COC(=O)[C@H]2CCCN2C2CCCC2)o1 ZINC000873386327 642173981 /nfs/dbraw/zinc/17/39/81/642173981.db2.gz BQVLSDRPSOPQNJ-OAHLLOKOSA-N 0 1 288.347 2.601 20 30 CFEDMN Cc1ccc2[nH]ncc2c1C(=O)OCC1(CC#N)CC1 ZINC000873488966 642219514 /nfs/dbraw/zinc/21/95/14/642219514.db2.gz ZEDXDJNWYHWKSR-UHFFFAOYSA-N 0 1 269.304 2.722 20 30 CFEDMN C=C(Cl)CN1CC[C@](C(=O)OCC)(C(C)C)C1 ZINC000194882351 650732567 /nfs/dbraw/zinc/73/25/67/650732567.db2.gz BEILWTIUQSPDMK-CYBMUJFWSA-N 0 1 259.777 2.650 20 30 CFEDMN CCC[C@@H](CC)C(=O)C(C#N)C(=O)NC1CCCC1 ZINC000873499128 642223791 /nfs/dbraw/zinc/22/37/91/642223791.db2.gz XYANMAKZMHGSJG-YPMHNXCESA-N 0 1 264.369 2.580 20 30 CFEDMN C#Cc1cccc(N(CC)C(=O)[C@@H]2C[C@H]2c2cnc[nH]2)c1 ZINC000874342573 642371552 /nfs/dbraw/zinc/37/15/52/642371552.db2.gz AZGXLHMYGQPIIO-HUUCEWRRSA-N 0 1 279.343 2.548 20 30 CFEDMN CC(C)(C#N)C(=O)Nc1nc2ccc(Cl)cc2[nH]1 ZINC000874692609 642452999 /nfs/dbraw/zinc/45/29/99/642452999.db2.gz YVOJYRSOEQRWBS-UHFFFAOYSA-N 0 1 262.700 2.705 20 30 CFEDMN C=CCONC(=O)N1CCC[C@@H](c2cc(C(C)C)[nH]n2)C1 ZINC000875649738 642658359 /nfs/dbraw/zinc/65/83/59/642658359.db2.gz WGKLTZJNWSXTJJ-GFCCVEGCSA-N 0 1 292.383 2.540 20 30 CFEDMN C=C1CCN(Cc2cc(C#N)ccc2N(C)C)CC1 ZINC000876694826 642978177 /nfs/dbraw/zinc/97/81/77/642978177.db2.gz OEOVSENDMPQCJB-UHFFFAOYSA-N 0 1 255.365 2.776 20 30 CFEDMN CCc1noc(CC)c1CC(=O)Nc1cc(C#N)ccc1O ZINC000088401194 650812051 /nfs/dbraw/zinc/81/20/51/650812051.db2.gz UPHKRJWSAFYOGK-UHFFFAOYSA-N 0 1 299.330 2.558 20 30 CFEDMN Cc1ccc(CCNCc2cc(C#N)cnc2Cl)o1 ZINC000876929139 643068874 /nfs/dbraw/zinc/06/88/74/643068874.db2.gz TXJKQDLFOKEAEW-UHFFFAOYSA-N 0 1 275.739 2.840 20 30 CFEDMN C[C@@H]1C[C@@H](CC(=O)[C@H](C#N)C(=O)NC2CC2)CC(C)(C)C1 ZINC000245402215 650813819 /nfs/dbraw/zinc/81/38/19/650813819.db2.gz HIGUAUVSAPRQOF-DYEKYZERSA-N 0 1 290.407 2.826 20 30 CFEDMN C=CC[C@H](NCc1ccc(C(=O)OCC)[nH]1)c1ccncc1 ZINC000877046267 643118607 /nfs/dbraw/zinc/11/86/07/643118607.db2.gz KIYFTRVGJRIMEM-HNNXBMFYSA-N 0 1 299.374 2.993 20 30 CFEDMN CC(C)CC[C@@](C)(O)CNCc1cc(C#N)cnc1Cl ZINC000877050699 643121454 /nfs/dbraw/zinc/12/14/54/643121454.db2.gz NMFKEZRUIKMIHS-OAHLLOKOSA-N 0 1 295.814 2.883 20 30 CFEDMN CO[C@H](CNCc1cc(C#N)cnc1Cl)C(C)(C)C ZINC000877067724 643132621 /nfs/dbraw/zinc/13/26/21/643132621.db2.gz MBEZTXCOGDNJCR-GFCCVEGCSA-N 0 1 281.787 2.757 20 30 CFEDMN C=C[C@@H](C)NCc1cc(Br)cnc1OC ZINC000877087665 643145710 /nfs/dbraw/zinc/14/57/10/643145710.db2.gz OQWMNTQGSDXZJT-MRVPVSSYSA-N 0 1 271.158 2.517 20 30 CFEDMN C=C[C@H](C)NCc1cc(Br)cnc1OC ZINC000877087666 643145903 /nfs/dbraw/zinc/14/59/03/643145903.db2.gz OQWMNTQGSDXZJT-QMMMGPOBSA-N 0 1 271.158 2.517 20 30 CFEDMN C#CC[C@H](NCc1cc(C(=O)OC)c(C)[nH]1)c1ccccc1 ZINC000877119585 643160616 /nfs/dbraw/zinc/16/06/16/643160616.db2.gz IGQHXHUVERYGNO-KRWDZBQOSA-N 0 1 296.370 2.964 20 30 CFEDMN C#CC[C@@H](NCc1cc(C)c(C(=O)OC)[nH]1)c1ccccc1 ZINC000877119311 643160970 /nfs/dbraw/zinc/16/09/70/643160970.db2.gz DMYLQVUVCBXDQI-MRXNPFEDSA-N 0 1 296.370 2.964 20 30 CFEDMN CCC(C)(C)CCNC(=O)[C@@H]1NCCc2cc(C#N)ccc21 ZINC000877147362 643177140 /nfs/dbraw/zinc/17/71/40/643177140.db2.gz AJHSJYLZDLRIEC-MRXNPFEDSA-N 0 1 299.418 2.688 20 30 CFEDMN CCCCCCC(=O)C(C#N)C(=O)Nc1ccccn1 ZINC000126370542 643183185 /nfs/dbraw/zinc/18/31/85/643183185.db2.gz IRESLRUWFFOLET-GFCCVEGCSA-N 0 1 273.336 2.699 20 30 CFEDMN C=CCN(CCc1ccco1)Cc1ccc(Cl)nn1 ZINC000877168727 643186811 /nfs/dbraw/zinc/18/68/11/643186811.db2.gz QPXGFUUJQQMKFR-UHFFFAOYSA-N 0 1 277.755 2.954 20 30 CFEDMN C=CC(C)(C)CCCNC(=O)[C@](C)(N)c1ccccc1 ZINC000877303786 643226629 /nfs/dbraw/zinc/22/66/29/643226629.db2.gz MJMPJZBIGZQOIM-QGZVFWFLSA-N 0 1 274.408 2.969 20 30 CFEDMN C#CCN(Cc1ccc(OC)c(Cn2cccn2)c1)C1CC1 ZINC000877371936 643248962 /nfs/dbraw/zinc/24/89/62/643248962.db2.gz RPCCYMOJWYLUAW-UHFFFAOYSA-N 0 1 295.386 2.538 20 30 CFEDMN C#CCCCCCCN1CCOC[C@@H]1[C@H]1CCCC1=O ZINC000877465440 643285666 /nfs/dbraw/zinc/28/56/66/643285666.db2.gz XFZMEGADWUDJEU-HZPDHXFCSA-N 0 1 277.408 2.640 20 30 CFEDMN C#C[C@H](NC[C@H](OC)[C@H]1CCOC1)c1ccc(Cl)cc1 ZINC000877540699 643342424 /nfs/dbraw/zinc/34/24/24/643342424.db2.gz GMHVVTFTGJOVJW-BPUTZDHNSA-N 0 1 293.794 2.655 20 30 CFEDMN CN(C)c1ccc(C#N)cc1CN1CC(CC(F)F)C1 ZINC000877599343 643390842 /nfs/dbraw/zinc/39/08/42/643390842.db2.gz WPVVSIDUGSTNTP-UHFFFAOYSA-N 0 1 279.334 2.711 20 30 CFEDMN CCOP(=O)(CCCN1CC[C@@](C)(C#N)C1)OCC ZINC000877637403 643421221 /nfs/dbraw/zinc/42/12/21/643421221.db2.gz UILBVQKDKGWZKF-ZDUSSCGKSA-N 0 1 288.328 2.878 20 30 CFEDMN C[C@H]1O[C@@H](C)[C@H](C)[C@H]1NCc1cc(C#N)cnc1Cl ZINC000877656241 643436055 /nfs/dbraw/zinc/43/60/55/643436055.db2.gz BGXJQLSPCSGOKP-QISWUMQESA-N 0 1 279.771 2.508 20 30 CFEDMN C#CC[C@@H](COC)NCc1ccc2ccc(F)c(F)c2n1 ZINC000877662311 643439513 /nfs/dbraw/zinc/43/95/13/643439513.db2.gz PPBIEVSGZFOLOO-ZDUSSCGKSA-N 0 1 290.313 2.641 20 30 CFEDMN C#CC[C@H](COC)NCc1cc(Cl)cc(Cl)c1N ZINC000877662099 643439712 /nfs/dbraw/zinc/43/97/12/643439712.db2.gz MWBMVKHGHOPWLI-LLVKDONJSA-N 0 1 287.190 2.704 20 30 CFEDMN CN(CCc1cccc(C#N)c1)Cc1c(C2CC2)cnn1C ZINC000877705311 643472538 /nfs/dbraw/zinc/47/25/38/643472538.db2.gz ZLNIQRJRHSZZMJ-UHFFFAOYSA-N 0 1 294.402 2.844 20 30 CFEDMN CC1(C)CO[C@H](CNCc2cc(C#N)cnc2Cl)C1 ZINC000877806017 643568021 /nfs/dbraw/zinc/56/80/21/643568021.db2.gz SENCEEWJFPFWCJ-LBPRGKRZSA-N 0 1 279.771 2.511 20 30 CFEDMN Cc1csc([C@@H]2CCN(Cc3cccc(C#N)n3)C2)n1 ZINC000877814979 643579842 /nfs/dbraw/zinc/57/98/42/643579842.db2.gz ZDQUOJYLNSRJSA-GFCCVEGCSA-N 0 1 284.388 2.708 20 30 CFEDMN COc1ccc(CN(C)CC2(CC#N)CC2)cc1F ZINC000877919191 643641434 /nfs/dbraw/zinc/64/14/34/643641434.db2.gz LGWSHTBICKZACJ-UHFFFAOYSA-N 0 1 262.328 2.960 20 30 CFEDMN C=CC[C@H](C)[N@H+]1Cc2c(OC)ccc(OC)c2[C@@H](O)C1 ZINC000877964732 643667146 /nfs/dbraw/zinc/66/71/46/643667146.db2.gz SDCSGPYNQUNPDI-AAEUAGOBSA-N 0 1 277.364 2.517 20 30 CFEDMN C=CC[C@H](C)N1Cc2c(OC)ccc(OC)c2[C@@H](O)C1 ZINC000877964732 643667147 /nfs/dbraw/zinc/66/71/47/643667147.db2.gz SDCSGPYNQUNPDI-AAEUAGOBSA-N 0 1 277.364 2.517 20 30 CFEDMN C=CC[C@@H](C)N(C)Cc1nccn1CC(F)(F)F ZINC000878049122 643712871 /nfs/dbraw/zinc/71/28/71/643712871.db2.gz ZQUVDGKDSZPBIL-SNVBAGLBSA-N 0 1 261.291 2.842 20 30 CFEDMN CC(C)(C)CN(CCC#N)CCc1ccc(C(N)=O)cc1 ZINC000878122406 643747522 /nfs/dbraw/zinc/74/75/22/643747522.db2.gz XVPAJCNEFKXJSL-UHFFFAOYSA-N 0 1 287.407 2.590 20 30 CFEDMN Cc1ccc(CCCCC(=O)C(C#N)C(=O)NC2CC2)cc1 ZINC000126945927 643772748 /nfs/dbraw/zinc/77/27/48/643772748.db2.gz QIJVSNAVFFKYIT-INIZCTEOSA-N 0 1 298.386 2.695 20 30 CFEDMN C=CC[C@H](C)N1CCO[C@@H]([C@@H](C)NC(=O)OC(C)(C)C)C1 ZINC000878193128 643787063 /nfs/dbraw/zinc/78/70/63/643787063.db2.gz TXJIDIDMPHOOSA-BFHYXJOUSA-N 0 1 298.427 2.565 20 30 CFEDMN CCCCCCNC(=O)C(C#N)C(=O)[C@H]1[C@@H]2CCCC[C@@H]21 ZINC000246371922 650866407 /nfs/dbraw/zinc/86/64/07/650866407.db2.gz AGYZRZRELTZJQT-BARDWOONSA-N 0 1 290.407 2.828 20 30 CFEDMN CC(C)[C@H](C#N)N1CCN(CC[C@@H]2CCCC2(F)F)CC1 ZINC000878310341 643832782 /nfs/dbraw/zinc/83/27/82/643832782.db2.gz KJSXRWKUOJTOEE-GJZGRUSLSA-N 0 1 299.409 2.978 20 30 CFEDMN C#CCCCCCN1CC[S@](=O)C(CC)(CC)C1 ZINC000878440308 643895263 /nfs/dbraw/zinc/89/52/63/643895263.db2.gz GVCPNHIHUSFMAV-SFHVURJKSA-N 0 1 269.454 2.803 20 30 CFEDMN C#CCCN1CCN(Cc2cc(F)cc3cccnc32)CC1 ZINC000127255660 643975501 /nfs/dbraw/zinc/97/55/01/643975501.db2.gz BUJDCDBPTMUFCZ-UHFFFAOYSA-N 0 1 297.377 2.515 20 30 CFEDMN C[C@H]1CCc2[nH]ncc2[C@@H]1C(=O)Nc1ccc(F)c(C#N)c1 ZINC000878707610 643999648 /nfs/dbraw/zinc/99/96/48/643999648.db2.gz VFJLLVIJUQIHBD-BJOHPYRUSA-N 0 1 298.321 2.725 20 30 CFEDMN C[C@H]1CN(Cc2cncc3ccccc32)C[C@H](C)N1CC#N ZINC000878772115 644021342 /nfs/dbraw/zinc/02/13/42/644021342.db2.gz FUPYGYNGOGAULC-GJZGRUSLSA-N 0 1 294.402 2.653 20 30 CFEDMN CCOc1ccc(CN2C[C@H](C)N(CC#N)[C@@H](C)C2)cc1 ZINC000878776412 644022962 /nfs/dbraw/zinc/02/29/62/644022962.db2.gz VRJHPLKXOOZSRV-GJZGRUSLSA-N 0 1 287.407 2.503 20 30 CFEDMN N#CCOc1ccc(CN2CCC[C@@H]2c2cn[nH]c2)cc1 ZINC000878877081 644059433 /nfs/dbraw/zinc/05/94/33/644059433.db2.gz BLPZDRWPCAIZBJ-MRXNPFEDSA-N 0 1 282.347 2.649 20 30 CFEDMN C=C/C=C/CCN1CCN(c2ccsc2C#N)CC1 ZINC000878887428 644062522 /nfs/dbraw/zinc/06/25/22/644062522.db2.gz GTXHCYWBEUZPMS-ONEGZZNKSA-N 0 1 273.405 2.874 20 30 CFEDMN C=CC[C@H]1CCCN(CCCS(=O)(=O)C(C)(C)C)C1 ZINC000878915044 644073789 /nfs/dbraw/zinc/07/37/89/644073789.db2.gz PCYGBLAQRGSXHB-AWEZNQCLSA-N 0 1 287.469 2.878 20 30 CFEDMN C=CC[C@@H](C)N1CC(C)(c2nnc(C3CCOCC3)o2)C1 ZINC000879010357 644111468 /nfs/dbraw/zinc/11/14/68/644111468.db2.gz AFKHDRBNLXUSAF-GFCCVEGCSA-N 0 1 291.395 2.502 20 30 CFEDMN C=CC[C@H](C(=O)OC)N1CCC2(CCSCC2)CC1 ZINC000879199878 644172588 /nfs/dbraw/zinc/17/25/88/644172588.db2.gz AWFGEWABBAQCLA-CYBMUJFWSA-N 0 1 283.437 2.713 20 30 CFEDMN Cc1c(C#N)cccc1NC(=O)[C@@H]1c2cn[nH]c2CC[C@H]1C ZINC000879218771 644179596 /nfs/dbraw/zinc/17/95/96/644179596.db2.gz RKBJHWAHSUZQIQ-HWPZZCPQSA-N 0 1 294.358 2.894 20 30 CFEDMN C=C(C)C[N@@H+]1C[C@@H](NC(=O)OC(C)(C)C)C[C@H]1C ZINC000879223119 644181394 /nfs/dbraw/zinc/18/13/94/644181394.db2.gz LZIOSIODNRHNLC-NEPJUHHUSA-N 0 1 254.374 2.550 20 30 CFEDMN CC(=O)Nc1cccc2c1CN([C@H](C)CCC#N)CC2 ZINC000879237048 644184761 /nfs/dbraw/zinc/18/47/61/644184761.db2.gz DISILCVWXVNLLN-GFCCVEGCSA-N 0 1 271.364 2.695 20 30 CFEDMN CC(C)(C)CN(CCC#N)C(=O)c1cc(C(F)F)[nH]n1 ZINC000879290951 644209587 /nfs/dbraw/zinc/20/95/87/644209587.db2.gz OZTLFCMKCOAUKP-UHFFFAOYSA-N 0 1 284.310 2.749 20 30 CFEDMN CN(CC[C@H](O)c1ccccc1)[C@@H]1CCC[C@H]1C#N ZINC000879308567 644217023 /nfs/dbraw/zinc/21/70/23/644217023.db2.gz CRSMHUVYUCEKJL-XHSDSOJGSA-N 0 1 258.365 2.734 20 30 CFEDMN COC(=O)C[C@](C)(NCc1ccc(F)cc1C#N)C1CC1 ZINC000879441647 644273645 /nfs/dbraw/zinc/27/36/45/644273645.db2.gz ZAZYKTHLQROBOY-INIZCTEOSA-N 0 1 290.338 2.519 20 30 CFEDMN N#Cc1cc(F)ccc1CN1CC[C@@H]2CSC[C@H]2C1 ZINC000879560825 644320890 /nfs/dbraw/zinc/32/08/90/644320890.db2.gz YNCMWBUWCXSDOK-TZMCWYRMSA-N 0 1 276.380 2.882 20 30 CFEDMN N#CCC[C@@H](C#N)CN[C@@H]1CC=CC[C@H]1C(F)(F)F ZINC000879667857 644372369 /nfs/dbraw/zinc/37/23/69/644372369.db2.gz UVINNGXPIJTUIV-QJPTWQEYSA-N 0 1 271.286 2.917 20 30 CFEDMN C[C@@H](NCC#Cc1cccc(Cl)c1)c1ccnn1C ZINC000879686240 644380198 /nfs/dbraw/zinc/38/01/98/644380198.db2.gz WVHGNRKQPXPEED-GFCCVEGCSA-N 0 1 273.767 2.776 20 30 CFEDMN C[C@@H]1CC[C@H](CC(=O)C(C#N)C(=O)Nc2ccccn2)C1 ZINC000247781830 650916006 /nfs/dbraw/zinc/91/60/06/650916006.db2.gz XSSZWGXUWPRVCV-AGIUHOORSA-N 0 1 285.347 2.555 20 30 CFEDMN CC(C)(O)[C@@H]1CCCN(Cc2cn3ccccc3c2C#N)C1 ZINC000879960615 644476512 /nfs/dbraw/zinc/47/65/12/644476512.db2.gz JGWQQRMBJHPDEC-OAHLLOKOSA-N 0 1 297.402 2.794 20 30 CFEDMN CCc1ccc(CN2CCN(CCCC#N)CC2)cc1 ZINC000880246167 644609236 /nfs/dbraw/zinc/60/92/36/644609236.db2.gz VNSPRTQZKSGXSN-UHFFFAOYSA-N 0 1 271.408 2.670 20 30 CFEDMN FC[C@@H]1CCN(CC#Cc2cccc(Cl)c2)C1 ZINC000880297550 644638548 /nfs/dbraw/zinc/63/85/48/644638548.db2.gz PLDOSWYRXLVNBB-ZDUSSCGKSA-N 0 1 251.732 2.983 20 30 CFEDMN N#Cc1ccc(CN2CC[C@H](c3nccs3)C2)o1 ZINC000880322988 644654342 /nfs/dbraw/zinc/65/43/42/644654342.db2.gz MMRZDWJPERPGQV-JTQLQIEISA-N 0 1 259.334 2.597 20 30 CFEDMN COC(=O)c1ccc2c(c1)CCN([C@@H]1CC[C@@H](C#N)C1)C2 ZINC000880351320 644663497 /nfs/dbraw/zinc/66/34/97/644663497.db2.gz QPIGQBCTNTUXQZ-MLGOLLRUSA-N 0 1 284.359 2.524 20 30 CFEDMN CC(C)(C)OCCCN1CCN(CC2(CC#N)CC2)CC1 ZINC000880415068 644698180 /nfs/dbraw/zinc/69/81/80/644698180.db2.gz BTVYDOHHSUCCMN-UHFFFAOYSA-N 0 1 293.455 2.503 20 30 CFEDMN C#CCC1(O)CCN(CCc2c(F)cccc2Cl)CC1 ZINC000880480104 644730600 /nfs/dbraw/zinc/73/06/00/644730600.db2.gz KBNOGHCMIYSFLN-UHFFFAOYSA-N 0 1 295.785 2.872 20 30 CFEDMN N#Cc1cc(F)ccc1CN[C@@H]1CCC[C@]12CCCO2 ZINC000880507463 644742179 /nfs/dbraw/zinc/74/21/79/644742179.db2.gz HGKVIGFJNCVUPY-CVEARBPZSA-N 0 1 274.339 2.889 20 30 CFEDMN Cn1cc(C2C[C@H]3CC[C@@H](C2)N3C[C@@H](C#N)CCC#N)cn1 ZINC000880517698 644748320 /nfs/dbraw/zinc/74/83/20/644748320.db2.gz ONVJGCRJBAKSIZ-ZBSSRIJBSA-N 0 1 297.406 2.574 20 30 CFEDMN CC(C)C(N)=NOCc1ccc(Cl)cc1[N+](=O)[O-] ZINC000128508936 644773938 /nfs/dbraw/zinc/77/39/38/644773938.db2.gz UCOJZCAXTVDBPX-UHFFFAOYSA-N 0 1 271.704 2.693 20 30 CFEDMN C#CCCCCCC(=O)N1CCN(C)[C@H](C(C)(C)C)C1 ZINC000880613631 644788332 /nfs/dbraw/zinc/78/83/32/644788332.db2.gz VXSJTEBYYPSCRE-HNNXBMFYSA-N 0 1 278.440 2.759 20 30 CFEDMN Cc1cc(CC(=O)N(CCC#N)c2ccc(C)cc2)n[nH]1 ZINC000128903474 644938422 /nfs/dbraw/zinc/93/84/22/644938422.db2.gz HMFGQVUSWLXKQY-UHFFFAOYSA-N 0 1 282.347 2.516 20 30 CFEDMN Cc1[nH]ncc1C(=O)Nc1ccc(C2CC2)c(C#N)c1 ZINC000882312935 645278398 /nfs/dbraw/zinc/27/83/98/645278398.db2.gz JNZHWYOEEHTHFH-UHFFFAOYSA-N 0 1 266.304 2.720 20 30 CFEDMN C=C[C@H](CC(=O)NC[C@@H]1CCN1CC)c1ccccc1 ZINC000882488990 645341671 /nfs/dbraw/zinc/34/16/71/645341671.db2.gz KMAAWIBKVSTQFN-ZBFHGGJFSA-N 0 1 272.392 2.557 20 30 CFEDMN C#CC[C@@H](CO)NCc1ccc(-c2ccc(C)cc2)o1 ZINC000883123081 645613452 /nfs/dbraw/zinc/61/34/52/645613452.db2.gz KJYCWOSXWPKBDQ-HNNXBMFYSA-N 0 1 269.344 2.729 20 30 CFEDMN C#Cc1ccc(CNCc2ccc(COC)o2)cc1 ZINC000883132477 645619079 /nfs/dbraw/zinc/61/90/79/645619079.db2.gz SEVCTHRGGJXWHP-UHFFFAOYSA-N 0 1 255.317 2.697 20 30 CFEDMN C=CCC[C@H](NCc1nn(C)cc1C(F)F)[C@H]1CCCO1 ZINC000883242940 645691581 /nfs/dbraw/zinc/69/15/81/645691581.db2.gz WZMCRWIGOCXKIU-GXTWGEPZSA-N 0 1 299.365 2.961 20 30 CFEDMN C=C(C)C[C@@H](CO)NCc1cscc1Br ZINC000883400391 645788559 /nfs/dbraw/zinc/78/85/59/645788559.db2.gz LINNSUKBTLHVLC-JTQLQIEISA-N 0 1 290.226 2.927 20 30 CFEDMN C=C(C)C[C@@H](CO)N[C@H](C)c1c(F)cccc1[N+](=O)[O-] ZINC000883392785 645791975 /nfs/dbraw/zinc/79/19/75/645791975.db2.gz ORZQCTYRPSJHKU-MNOVXSKESA-N 0 1 282.315 2.712 20 30 CFEDMN CC#CCN1CCC(N(C)C(=O)c2ccc(CC)cc2)CC1 ZINC001006356869 646004738 /nfs/dbraw/zinc/00/47/38/646004738.db2.gz HGVQKXSYNANXKX-UHFFFAOYSA-N 0 1 298.430 2.809 20 30 CFEDMN CC(C)C(N)=NOCc1cccc(Br)c1 ZINC000133634402 646197358 /nfs/dbraw/zinc/19/73/58/646197358.db2.gz USURXSKEDMMICE-UHFFFAOYSA-N 0 1 271.158 2.894 20 30 CFEDMN Fc1cccc(CC=CN=NC2=N[C@@H]3CCCC[C@@H]3N2)c1 ZINC000884442915 646360432 /nfs/dbraw/zinc/36/04/32/646360432.db2.gz ULFKWDSKUALRHG-WDCNJCJESA-N 0 1 286.354 2.685 20 30 CFEDMN Oc1ccc(C=NOCCC(F)(F)F)c(F)c1F ZINC000884451984 646366435 /nfs/dbraw/zinc/36/64/35/646366435.db2.gz FZXRRWFSJDEVLI-UHFFFAOYSA-N 0 1 269.169 2.973 20 30 CFEDMN C#CCN1CCC[C@@H](Nc2ccc(C(F)(F)F)cn2)C1 ZINC000884611799 646487278 /nfs/dbraw/zinc/48/72/78/646487278.db2.gz VDXNTRFKWKOFDG-GFCCVEGCSA-N 0 1 283.297 2.610 20 30 CFEDMN C[C@H]1CCc2[nH]ncc2[C@@H]1C(=O)OCC#Cc1ccccc1 ZINC000885260683 646651160 /nfs/dbraw/zinc/65/11/60/646651160.db2.gz REDJXIFWZKRAPX-SUMWQHHRSA-N 0 1 294.354 2.671 20 30 CFEDMN Cc1csc(C(C)(C)NC[C@H](O)CC2(C#N)CCC2)n1 ZINC000886067983 646851900 /nfs/dbraw/zinc/85/19/00/646851900.db2.gz QZYVTWMDCQZZJS-GFCCVEGCSA-N 0 1 293.436 2.721 20 30 CFEDMN Cc1cnc([C@H](C)NC[C@H](O)CC2(C#N)CCC2)s1 ZINC000886131627 646887894 /nfs/dbraw/zinc/88/78/94/646887894.db2.gz CIMMNRPVMTUIBT-NWDGAFQWSA-N 0 1 279.409 2.547 20 30 CFEDMN CC1(C)CN(C[C@@H](O)CC2(C#N)CCC2)[C@H]1c1ccncc1 ZINC000886288509 646954943 /nfs/dbraw/zinc/95/49/43/646954943.db2.gz AVMBYZWSLDWDPZ-HOTGVXAUSA-N 0 1 299.418 2.909 20 30 CFEDMN C#CC[C@@H]1CC[N@H+]([C@@H](C)C(=O)N2CCCc3ccccc32)C1 ZINC000886354031 646982919 /nfs/dbraw/zinc/98/29/19/646982919.db2.gz UWRGLWIDDDJSML-JKSUJKDBSA-N 0 1 296.414 2.700 20 30 CFEDMN C#CC[C@H]1CC[N@H+]([C@H](C)C(=O)Nc2cccc(C)c2C)C1 ZINC000886353824 646983151 /nfs/dbraw/zinc/98/31/51/646983151.db2.gz QSECHELDNCRTQP-CVEARBPZSA-N 0 1 284.403 2.976 20 30 CFEDMN C#CC[C@H]1CC[N@H+](Cc2nnc(-c3cc(C)oc3C)o2)C1 ZINC000886354240 646983359 /nfs/dbraw/zinc/98/33/59/646983359.db2.gz YLBYIVQJJQWHIK-ZDUSSCGKSA-N 0 1 285.347 2.792 20 30 CFEDMN C#CC[C@H]1CCN(Cc2nnc(-c3cc(C)oc3C)o2)C1 ZINC000886354240 646983361 /nfs/dbraw/zinc/98/33/61/646983361.db2.gz YLBYIVQJJQWHIK-ZDUSSCGKSA-N 0 1 285.347 2.792 20 30 CFEDMN C#CC[C@@H]1CCN([C@H](C)c2nc(CCCC)no2)C1 ZINC000886355237 646984189 /nfs/dbraw/zinc/98/41/89/646984189.db2.gz FEQRXDIJWDYNSX-CHWSQXEVSA-N 0 1 261.369 2.818 20 30 CFEDMN C#CC[C@H]1CCN([C@H](C)C(=O)Nc2ccc(C)cc2F)C1 ZINC000886355018 646984238 /nfs/dbraw/zinc/98/42/38/646984238.db2.gz AWFVOYVJRNGPGM-KGLIPLIRSA-N 0 1 288.366 2.806 20 30 CFEDMN C#CC[C@H]1CCN(Cc2ccn(-c3ccccc3F)n2)C1 ZINC000886364090 646988762 /nfs/dbraw/zinc/98/87/62/646988762.db2.gz OIQBSQJSLYEUAW-AWEZNQCLSA-N 0 1 283.350 2.857 20 30 CFEDMN C#CC[C@H]1CCN(Cc2ccnc(Br)c2)C1 ZINC000886365596 646989422 /nfs/dbraw/zinc/98/94/22/646989422.db2.gz LURKWDBRWSRXIH-NSHDSACASA-N 0 1 279.181 2.689 20 30 CFEDMN N#CCOc1ccc(CN[C@H]2CCc3cccnc32)cc1 ZINC000886546004 647041942 /nfs/dbraw/zinc/04/19/42/647041942.db2.gz WTTWMYHHTHPAFY-INIZCTEOSA-N 0 1 279.343 2.761 20 30 CFEDMN CC(C)[C@@H](NCc1cc(C#N)ccc1F)c1cnn(C)c1 ZINC000886549851 647043901 /nfs/dbraw/zinc/04/39/01/647043901.db2.gz OHULILIUXCXYLQ-MRXNPFEDSA-N 0 1 286.354 2.918 20 30 CFEDMN C#CCOc1ccc(CN[C@@H]2CCc3cccnc32)cc1 ZINC000886620062 647071817 /nfs/dbraw/zinc/07/18/17/647071817.db2.gz AZJWIOXXBHJBEZ-QGZVFWFLSA-N 0 1 278.355 2.871 20 30 CFEDMN C#CCC1(NC(=O)Cc2[nH]nc3ccccc32)CCCCC1 ZINC000886653605 647090664 /nfs/dbraw/zinc/09/06/64/647090664.db2.gz VPLARXMFPOIWHK-UHFFFAOYSA-N 0 1 295.386 2.948 20 30 CFEDMN C#CCC1(NCc2cc(C(C)(C)C)on2)CCOCC1 ZINC000887122448 647218839 /nfs/dbraw/zinc/21/88/39/647218839.db2.gz YSQISFMYCLBRTC-UHFFFAOYSA-N 0 1 276.380 2.634 20 30 CFEDMN CC[C@H]([NH2+]Cc1cc(N)ccn1)c1ccc(C#N)cc1 ZINC000925766274 648312116 /nfs/dbraw/zinc/31/21/16/648312116.db2.gz IQEZPDYUPZCNER-INIZCTEOSA-N 0 1 266.348 2.776 20 30 CFEDMN C[C@H](CC(C)(C)C#N)N[C@@H](CCO)c1ccco1 ZINC000926197606 648431061 /nfs/dbraw/zinc/43/10/61/648431061.db2.gz QGXRDYXUGLJOAM-NEPJUHHUSA-N 0 1 250.342 2.621 20 30 CFEDMN CC[C@@H]([NH2+][C@H]1CCc2[nH]cnc2C1)c1cccc(C#N)c1[O-] ZINC000926450414 648492390 /nfs/dbraw/zinc/49/23/90/648492390.db2.gz MKSWIBPAMUXAFF-GXTWGEPZSA-N 0 1 296.374 2.585 20 30 CFEDMN Cc1ncccc1NC(=O)[C@H](C)N[C@@H](C)CC(C)(C)C#N ZINC000926558722 648533127 /nfs/dbraw/zinc/53/31/27/648533127.db2.gz JJRYIBBRZGLKTG-AAEUAGOBSA-N 0 1 288.395 2.635 20 30 CFEDMN CC(C)n1cc([C@H](C)N[C@H]2Cc3ccc(C#N)cc3C2)nn1 ZINC000926812390 648625315 /nfs/dbraw/zinc/62/53/15/648625315.db2.gz MPPVTQASPPMUDF-LRDDRELGSA-N 0 1 295.390 2.549 20 30 CFEDMN C#CCN1CCC(NC(=O)[C@H](C)CCCCCC)CC1 ZINC000928655774 648938983 /nfs/dbraw/zinc/93/89/83/648938983.db2.gz YARBAVRDJVHRFM-OAHLLOKOSA-N 0 1 278.440 2.807 20 30 CFEDMN C#CCN1CCC(NC(=O)CC/C=C\c2ccccc2)CC1 ZINC000928655295 648939025 /nfs/dbraw/zinc/93/90/25/648939025.db2.gz PEUONQKXMLMHBU-POHAHGRESA-N 0 1 296.414 2.694 20 30 CFEDMN C#CCN1CCC(NC(=O)[C@H](CCC)CC(C)C)CC1 ZINC000928651219 648939052 /nfs/dbraw/zinc/93/90/52/648939052.db2.gz RBWVQLMEFHJFPC-OAHLLOKOSA-N 0 1 278.440 2.663 20 30 CFEDMN C#CCN1CCC(NC(=O)C[C@@H](CC)C(C)(C)C)CC1 ZINC000928661258 648939612 /nfs/dbraw/zinc/93/96/12/648939612.db2.gz ZDCPASIXAFEESL-CQSZACIVSA-N 0 1 278.440 2.663 20 30 CFEDMN Cc1noc(C(C)C)c1NC(=O)c1ccc(C#N)c(O)c1 ZINC000928786376 648953920 /nfs/dbraw/zinc/95/39/20/648953920.db2.gz BSLFZHHPKXBCKJ-UHFFFAOYSA-N 0 1 285.303 2.936 20 30 CFEDMN Cc1cc(C#N)cc(C)c1CN(C)Cc1cnn(C)c1 ZINC000929134353 648986953 /nfs/dbraw/zinc/98/69/53/648986953.db2.gz ZJXZPSYHMHKQID-UHFFFAOYSA-N 0 1 268.364 2.541 20 30 CFEDMN COC[C@@H]1CCN(Cc2cc(Cl)cc(C#N)c2)C1 ZINC000929692640 649098692 /nfs/dbraw/zinc/09/86/92/649098692.db2.gz HDOYZYNWOUYGIA-LLVKDONJSA-N 0 1 264.756 2.680 20 30 CFEDMN N#Cc1cncc(CN2CCC[C@@H]2c2ccc(O)cc2)c1 ZINC000929894895 649145828 /nfs/dbraw/zinc/14/58/28/649145828.db2.gz YUSBWKUROIUGRD-QGZVFWFLSA-N 0 1 279.343 2.996 20 30 CFEDMN N#Cc1cncc(CN2CCC[C@H](C[C@H]3CCOC3)C2)c1 ZINC000930180806 649199758 /nfs/dbraw/zinc/19/97/58/649199758.db2.gz XSIDACWLLLLONT-HUUCEWRRSA-N 0 1 285.391 2.592 20 30 CFEDMN CC[C@H](NC[C@H](O)CC#N)c1ccccc1OC(F)F ZINC000930200607 649206007 /nfs/dbraw/zinc/20/60/07/649206007.db2.gz MYWMFFFUTUAVHF-PWSUYJOCSA-N 0 1 284.306 2.603 20 30 CFEDMN C=C[C@H]1CCCC[N@@H+]1C[C@@](O)(CC)C(F)(F)F ZINC000930262129 649217745 /nfs/dbraw/zinc/21/77/45/649217745.db2.gz DGAXFRQCOCFOQL-QWRGUYRKSA-N 0 1 251.292 2.730 20 30 CFEDMN C#CCN(CCc1ccns1)Cc1ccccc1 ZINC000930475965 649256066 /nfs/dbraw/zinc/25/60/66/649256066.db2.gz KCJJUAHYZAHUBP-UHFFFAOYSA-N 0 1 256.374 2.821 20 30 CFEDMN N#Cc1cncc(C[N@H+]2CCC[C@@H](c3cccnc3)C2)c1 ZINC000930808931 649328626 /nfs/dbraw/zinc/32/86/26/649328626.db2.gz KFWKPRZIBWCWPS-QGZVFWFLSA-N 0 1 278.359 2.728 20 30 CFEDMN N#Cc1cncc(CN2CCC[C@@H](c3cccnc3)C2)c1 ZINC000930808931 649328629 /nfs/dbraw/zinc/32/86/29/649328629.db2.gz KFWKPRZIBWCWPS-QGZVFWFLSA-N 0 1 278.359 2.728 20 30 CFEDMN C#CC[C@@H]1CCC[N@H+](C[C@@](C)(O)C(F)(F)C(F)(F)F)C1 ZINC000930817202 649331246 /nfs/dbraw/zinc/33/12/46/649331246.db2.gz SQZGNYBBEILQFO-GHMZBOCLSA-N 0 1 299.283 2.670 20 30 CFEDMN C[C@H](c1ccc(F)nc1)N(C)C[C@H](O)c1cccc(C#N)c1 ZINC000930846335 649335208 /nfs/dbraw/zinc/33/52/08/649335208.db2.gz YYQBKLZVPFRLTO-WBMJQRKESA-N 0 1 299.349 2.819 20 30 CFEDMN C#C[C@H]1CCC[N@@H+](C[C@H](C)C(=O)c2ccc([O-])cc2)C1 ZINC000930887514 649344309 /nfs/dbraw/zinc/34/43/09/649344309.db2.gz YYOJKUBMILSACA-KBPBESRZSA-N 0 1 271.360 2.556 20 30 CFEDMN C#C[C@H]1CCC[N@H+](C[C@H](C)C(=O)c2ccc([O-])cc2)C1 ZINC000930887514 649344313 /nfs/dbraw/zinc/34/43/13/649344313.db2.gz YYOJKUBMILSACA-KBPBESRZSA-N 0 1 271.360 2.556 20 30 CFEDMN C[C@@H]1CN(CCCOc2ccc(C#N)cc2)Cc2c[nH]nc21 ZINC000931457561 649432084 /nfs/dbraw/zinc/43/20/84/649432084.db2.gz ZHVYBKPTBHTVCX-CYBMUJFWSA-N 0 1 296.374 2.670 20 30 CFEDMN Cc1cc(Cl)c(NC(=O)NCC#CCN(C)C)cc1C ZINC000931597573 649460558 /nfs/dbraw/zinc/46/05/58/649460558.db2.gz CHBLFDBKNOYPQF-UHFFFAOYSA-N 0 1 293.798 2.643 20 30 CFEDMN Cn1ccc([C@@H]2CCCN(Cc3ccc(C#N)s3)C2)n1 ZINC000932130240 649545023 /nfs/dbraw/zinc/54/50/23/649545023.db2.gz KWQSBQJDOPKAIL-GFCCVEGCSA-N 0 1 286.404 2.733 20 30 CFEDMN Cn1nccc1[C@@H]1CCCN1CCOc1ccccc1C#N ZINC000932269969 649572297 /nfs/dbraw/zinc/57/22/97/649572297.db2.gz OMZZMCNGUWOPDD-INIZCTEOSA-N 0 1 296.374 2.508 20 30 CFEDMN C=C[C@H](CC)CC(=O)Nc1ccn(-c2ccncc2)n1 ZINC000932813225 649645332 /nfs/dbraw/zinc/64/53/32/649645332.db2.gz HEKCHGAHSNXNMY-GFCCVEGCSA-N 0 1 270.336 2.808 20 30 CFEDMN N#Cc1ccc(CN2CCC(CO)(C(F)(F)F)CC2)cc1 ZINC000932824337 649646815 /nfs/dbraw/zinc/64/68/15/649646815.db2.gz YABWPMPLWHNGTL-UHFFFAOYSA-N 0 1 298.308 2.695 20 30 CFEDMN N#Cc1ccc(C2CCN(Cc3c[nH]cn3)CC2)cc1 ZINC000933606250 649705717 /nfs/dbraw/zinc/70/57/17/649705717.db2.gz GMNJENITIXNMID-UHFFFAOYSA-N 0 1 266.348 2.661 20 30 CFEDMN N#Cc1ccc(C2CCN(C[C@@H](O)C(F)(F)F)CC2)cc1 ZINC000933612875 649706612 /nfs/dbraw/zinc/70/66/12/649706612.db2.gz SGUNCRZJZIHHLW-CQSZACIVSA-N 0 1 298.308 2.661 20 30 CFEDMN CC(C)CCN1CCO[C@H](c2ccc(C#N)cc2)C1 ZINC000933625126 649707447 /nfs/dbraw/zinc/70/74/47/649707447.db2.gz NGQVBINSSQWOLF-INIZCTEOSA-N 0 1 258.365 2.978 20 30 CFEDMN COC(C)(C)CCN1CCO[C@H](c2ccc(C#N)cc2)C1 ZINC000933631363 649708794 /nfs/dbraw/zinc/70/87/94/649708794.db2.gz YQSJZSLVDSYIFY-INIZCTEOSA-N 0 1 288.391 2.747 20 30 CFEDMN CC[C@@H]1C[C@H]1CN1CCO[C@@H](c2ccc(C#N)cc2)C1 ZINC000933631660 649709143 /nfs/dbraw/zinc/70/91/43/649709143.db2.gz KMPUHWWGWBOAFJ-HYVNUMGLSA-N 0 1 270.376 2.978 20 30 CFEDMN COc1ccc(CN2CCC3(CC2)CC(=O)C=CO3)cc1 ZINC000933647748 649710076 /nfs/dbraw/zinc/71/00/76/649710076.db2.gz GQSNYQABLKYKFW-UHFFFAOYSA-N 0 1 287.359 2.533 20 30 CFEDMN N#CCCCN1CC[C@H](c2nccc(C(F)(F)F)n2)C1 ZINC000933716110 649716952 /nfs/dbraw/zinc/71/69/52/649716952.db2.gz PHBLBNAOLZOKAZ-JTQLQIEISA-N 0 1 284.285 2.588 20 30 CFEDMN C=CC[C@H]1CCN1[C@H](C)C(=O)N(C)c1ccccc1 ZINC000934470933 649790486 /nfs/dbraw/zinc/79/04/86/649790486.db2.gz HHIQQWVDCDCFAC-HIFRSBDPSA-N 0 1 258.365 2.688 20 30 CFEDMN C=CC[C@@H]1CCN1CC(=O)N(C)[C@@H](C)c1ccccc1 ZINC000934471249 649790862 /nfs/dbraw/zinc/79/08/62/649790862.db2.gz KHYGLSAPQNZDGY-GOEBONIOSA-N 0 1 272.392 2.856 20 30 CFEDMN C=CC[C@H]1CCN1[C@@H](C)C(=O)Nc1cccc(C)c1 ZINC000934473230 649791496 /nfs/dbraw/zinc/79/14/96/649791496.db2.gz UXYNWAQLDYCCDY-ZFWWWQNUSA-N 0 1 258.365 2.972 20 30 CFEDMN C=CCCCN(CC)Cc1nc2ccccc2c(=O)n1C ZINC000934648423 649811466 /nfs/dbraw/zinc/81/14/66/649811466.db2.gz OQVKUBFCRPHXAZ-UHFFFAOYSA-N 0 1 285.391 2.722 20 30 CFEDMN C[C@]12CSC[C@H]1CN(Cc1cn3ccccc3c1C#N)C2 ZINC000934774259 649829646 /nfs/dbraw/zinc/82/96/46/649829646.db2.gz ACMFELHFIIDCBZ-PBHICJAKSA-N 0 1 297.427 2.996 20 30 CFEDMN C=C(C)CN1CCC[C@H](NC(=O)c2oc(C)cc2C)C1 ZINC001007041687 651131439 /nfs/dbraw/zinc/13/14/39/651131439.db2.gz CCWLUQNVRYUZMP-AWEZNQCLSA-N 0 1 276.380 2.667 20 30 CFEDMN C=C(C)CN1CCC[C@@H](NC(=O)C2CC(C)(C)C2)C1 ZINC001007263676 651132462 /nfs/dbraw/zinc/13/24/62/651132462.db2.gz JJFPRWZEUGEBDG-CQSZACIVSA-N 0 1 264.413 2.579 20 30 CFEDMN C=CCN1CCC[C@H](NC(=O)C[C@@H]2C[C@H]2c2ccccc2)C1 ZINC001007350470 651133220 /nfs/dbraw/zinc/13/32/20/651133220.db2.gz HJFDDRCNNDQNPS-BZSNNMDCSA-N 0 1 298.430 2.947 20 30 CFEDMN C=CCN1CCC[C@@H](NC(=O)C[C@@H]2C[C@H]2c2ccccc2)C1 ZINC001007350471 651133477 /nfs/dbraw/zinc/13/34/77/651133477.db2.gz HJFDDRCNNDQNPS-KSZLIROESA-N 0 1 298.430 2.947 20 30 CFEDMN C=CCC[N@@H+]1CCC[C@H](NC(=O)c2cc(F)ccc2F)C1 ZINC001007502042 651135472 /nfs/dbraw/zinc/13/54/72/651135472.db2.gz FQWSSDSWKXDMOT-ZDUSSCGKSA-N 0 1 294.345 2.735 20 30 CFEDMN C=CC[N@@H+]1CCC[C@H](NC(=O)c2ccc(C(C)C)nc2)C1 ZINC001007495803 651135657 /nfs/dbraw/zinc/13/56/57/651135657.db2.gz MWQONXCARHJWSC-HNNXBMFYSA-N 0 1 287.407 2.585 20 30 CFEDMN C=CCN1CCC[C@H](NC(=O)c2ccc(C(C)C)nc2)C1 ZINC001007495803 651135660 /nfs/dbraw/zinc/13/56/60/651135660.db2.gz MWQONXCARHJWSC-HNNXBMFYSA-N 0 1 287.407 2.585 20 30 CFEDMN C#CCC[N@@H+]1CCC[C@H](NC(=O)C(C)(C)C2CCCC2)C1 ZINC001007515277 651135757 /nfs/dbraw/zinc/13/57/57/651135757.db2.gz UQCGKVJDQDDOTA-INIZCTEOSA-N 0 1 290.451 2.807 20 30 CFEDMN C=C(C)CN1CCC[C@@H](NC(=O)[C@H](C)C2CCC2)C1 ZINC001007595560 651137234 /nfs/dbraw/zinc/13/72/34/651137234.db2.gz LEKQGUBFAAIGPD-UKRRQHHQSA-N 0 1 264.413 2.579 20 30 CFEDMN C=CCN1CCC[C@H](NC(=O)c2cc(C)sc2C)C1 ZINC001007827415 651139471 /nfs/dbraw/zinc/13/94/71/651139471.db2.gz VDZQJTBVODKNMI-ZDUSSCGKSA-N 0 1 278.421 2.745 20 30 CFEDMN C=CCN1CCC[C@H](NC(=O)C2(c3ccccc3)CCC2)C1 ZINC001007857007 651140047 /nfs/dbraw/zinc/14/00/47/651140047.db2.gz FCNOKNXQIKPBBP-KRWDZBQOSA-N 0 1 298.430 2.875 20 30 CFEDMN C=CCCN1CCC[C@@H](NC(=O)c2ncc(Cl)s2)C1 ZINC001007932255 651140804 /nfs/dbraw/zinc/14/08/04/651140804.db2.gz JDBGKQXWWFNKMH-SNVBAGLBSA-N 0 1 299.827 2.567 20 30 CFEDMN C=C(C)CN1CCC[C@@H](NC(=O)[C@@H]2CC[C@@H]3C[C@@H]3CC2)C1 ZINC001008032700 651141385 /nfs/dbraw/zinc/14/13/85/651141385.db2.gz PELWRBSKPRMMME-WCXIOVBPSA-N 0 1 290.451 2.969 20 30 CFEDMN C=C(C)CN1CCC[C@@H](NC(=O)C2CC3(CCC3)C2)C1 ZINC001008221695 651144547 /nfs/dbraw/zinc/14/45/47/651144547.db2.gz ZOXWLFWBYITTCX-OAHLLOKOSA-N 0 1 276.424 2.723 20 30 CFEDMN C=CCN1CCC[C@@H](NC(=O)c2ccc(F)c(C)c2)C1 ZINC001008378421 651146857 /nfs/dbraw/zinc/14/68/57/651146857.db2.gz WCYGZTNIGTXUGX-CQSZACIVSA-N 0 1 276.355 2.514 20 30 CFEDMN C=CCN1CCC[C@@H](NC(=O)c2ccc3ncccc3c2)C1 ZINC001008385431 651147185 /nfs/dbraw/zinc/14/71/85/651147185.db2.gz MNIDXTXSUPMGMZ-MRXNPFEDSA-N 0 1 295.386 2.615 20 30 CFEDMN C=C(C)CN1CCC[C@H](NC(=O)c2occc2CC)C1 ZINC001008417322 651147637 /nfs/dbraw/zinc/14/76/37/651147637.db2.gz KEUQKGJAYQOIDP-AWEZNQCLSA-N 0 1 276.380 2.612 20 30 CFEDMN C=C(C)CN1CCC[C@H](NC(=O)c2cc(C)cc(F)c2)C1 ZINC001008622866 651151049 /nfs/dbraw/zinc/15/10/49/651151049.db2.gz QTUFEHDSMSPLRN-INIZCTEOSA-N 0 1 290.382 2.904 20 30 CFEDMN C=CCN1CCC[C@@H](NC(=O)c2ccc(Cl)c(F)c2)C1 ZINC001008647001 651151060 /nfs/dbraw/zinc/15/10/60/651151060.db2.gz SMWAJQBDTGVZKC-GFCCVEGCSA-N 0 1 296.773 2.859 20 30 CFEDMN C=CCN1CCC[C@H](NC(=O)c2cc(F)ccc2Cl)C1 ZINC001008647006 651151307 /nfs/dbraw/zinc/15/13/07/651151307.db2.gz SMWQZFIXESWEEH-LBPRGKRZSA-N 0 1 296.773 2.859 20 30 CFEDMN C=C(C)CN1CCC[C@@H](NC(=O)C2(C)CC(F)(F)C2)C1 ZINC001009162776 651156921 /nfs/dbraw/zinc/15/69/21/651156921.db2.gz QNYFSOYORIVWQU-GFCCVEGCSA-N 0 1 286.366 2.579 20 30 CFEDMN C=C(C)CN1CCC[C@@H](NC(=O)[C@H](C)C2CCCC2)C1 ZINC001009150117 651157224 /nfs/dbraw/zinc/15/72/24/651157224.db2.gz BIPXYIOOFZOKQD-GDBMZVCRSA-N 0 1 278.440 2.969 20 30 CFEDMN C=CCN1CCC[C@H](NC(=O)[C@H](C)c2ccccc2)C1 ZINC001009271226 651157621 /nfs/dbraw/zinc/15/76/21/651157621.db2.gz VJXCQXMKSWYZIW-ZBFHGGJFSA-N 0 1 272.392 2.557 20 30 CFEDMN C=CCN1CCC[C@H](NC(=O)c2cc(CC(C)C)c[nH]2)C1 ZINC001009221036 651157943 /nfs/dbraw/zinc/15/79/43/651157943.db2.gz SVHFDDMDGJPEDO-HNNXBMFYSA-N 0 1 289.423 2.593 20 30 CFEDMN C=C(C)CN1CCC[C@@H](NC(=O)c2sccc2OC)C1 ZINC001009293610 651158805 /nfs/dbraw/zinc/15/88/05/651158805.db2.gz VOMUXOMZPWKFOL-GFCCVEGCSA-N 0 1 294.420 2.527 20 30 CFEDMN C=CCN1CCC[C@@H](NC(=O)c2cc(C)c(F)c(C)c2)C1 ZINC001009568258 651161471 /nfs/dbraw/zinc/16/14/71/651161471.db2.gz ICZVHNMZRIUNAY-OAHLLOKOSA-N 0 1 290.382 2.823 20 30 CFEDMN C=CCN1CCC[C@@H](NC(=O)[C@H](C)c2cccc(F)c2)C1 ZINC001009587357 651161759 /nfs/dbraw/zinc/16/17/59/651161759.db2.gz NDASUDJRNYWKRV-CZUORRHYSA-N 0 1 290.382 2.696 20 30 CFEDMN C=CCN1CCC[C@@H](NC(=O)[C@@H]2CCCC(C)(C)C2)C1 ZINC001009670751 651163520 /nfs/dbraw/zinc/16/35/20/651163520.db2.gz ZTAKMJJNCPJBDE-HUUCEWRRSA-N 0 1 278.440 2.969 20 30 CFEDMN C=CCN1CCC[C@@H](NC(=O)c2cccc3oc(C)nc32)C1 ZINC001009677349 651163527 /nfs/dbraw/zinc/16/35/27/651163527.db2.gz WIPFBPIPVQYNAB-CYBMUJFWSA-N 0 1 299.374 2.516 20 30 CFEDMN C=C(C)CN1CCC[C@H](NC(=O)c2c(C)cccc2F)C1 ZINC001009737484 651164059 /nfs/dbraw/zinc/16/40/59/651164059.db2.gz SOEUSCVTHIYQSF-AWEZNQCLSA-N 0 1 290.382 2.904 20 30 CFEDMN C=CCN1CC[C@@H](NC(=O)c2cc(F)c3ccccc3c2)C1 ZINC001014658075 651190458 /nfs/dbraw/zinc/19/04/58/651190458.db2.gz HJGIWBAYKURIOR-OAHLLOKOSA-N 0 1 298.361 2.969 20 30 CFEDMN C=CCN1CC[C@H](NC(=O)Cc2c(C)cccc2Cl)C1 ZINC001015097319 651195178 /nfs/dbraw/zinc/19/51/78/651195178.db2.gz PHGKQEIDKULQIK-ZDUSSCGKSA-N 0 1 292.810 2.567 20 30 CFEDMN C=CCN1CC[C@H](NC(=O)Cc2cccc(C(C)C)c2)C1 ZINC001015099532 651195256 /nfs/dbraw/zinc/19/52/56/651195256.db2.gz HQMCNUYNBRTLQI-KRWDZBQOSA-N 0 1 286.419 2.729 20 30 CFEDMN C=CCN1CC[C@@H](NC(=O)c2ccccc2CCC)C1 ZINC001015209888 651197553 /nfs/dbraw/zinc/19/75/53/651197553.db2.gz WXTXSCJVVMYERT-OAHLLOKOSA-N 0 1 272.392 2.629 20 30 CFEDMN C=CCN1CC[C@@H](NC(=O)c2cc(C)cc(Cl)c2)C1 ZINC001015273950 651198730 /nfs/dbraw/zinc/19/87/30/651198730.db2.gz IJVAGZDWWJMFRH-CQSZACIVSA-N 0 1 278.783 2.639 20 30 CFEDMN C=CCN1CC[C@H](NC(=O)C[C@@H]2C[C@H]2Cc2ccccc2)C1 ZINC001015371969 651199731 /nfs/dbraw/zinc/19/97/31/651199731.db2.gz RYQOJLQEUSJKEC-SQNIBIBYSA-N 0 1 298.430 2.632 20 30 CFEDMN C=CCN1CC[C@@H](NC(=O)Cc2ccc(C3CCC3)cc2)C1 ZINC001015416346 651200538 /nfs/dbraw/zinc/20/05/38/651200538.db2.gz ADEDCTCPOXCUHD-GOSISDBHSA-N 0 1 298.430 2.873 20 30 CFEDMN C=CCN1CC[C@@H](NC(=O)c2ccc(C(F)F)c(F)c2)C1 ZINC001015699839 651209986 /nfs/dbraw/zinc/20/99/86/651209986.db2.gz RUKKGBLANOQHJT-LLVKDONJSA-N 0 1 298.308 2.753 20 30 CFEDMN C=CCN1CC[C@@H](NC(=O)c2cc(C(C)(C)C)oc2C)C1 ZINC001015763915 651212670 /nfs/dbraw/zinc/21/26/70/651212670.db2.gz MZDGSTHYWPPEEW-CYBMUJFWSA-N 0 1 290.407 2.876 20 30 CFEDMN C=CCN1CC[C@@H](NC(=O)c2ccc(C(F)F)cc2)C1 ZINC001015845364 651215636 /nfs/dbraw/zinc/21/56/36/651215636.db2.gz JWIIUQROTKYEPF-CYBMUJFWSA-N 0 1 280.318 2.614 20 30 CFEDMN C=CCN1CC[C@H](NC(=O)[C@@H]2C[C@H]2c2ccc(C)s2)C1 ZINC001015818584 651215737 /nfs/dbraw/zinc/21/57/37/651215737.db2.gz PWAMOERTDZEDSY-BFHYXJOUSA-N 0 1 290.432 2.537 20 30 CFEDMN C=CCN1CC[C@H](NC(=O)c2cc(Cl)ccc2C)C1 ZINC001015870492 651216525 /nfs/dbraw/zinc/21/65/25/651216525.db2.gz KTZNRFBMHUHRFM-ZDUSSCGKSA-N 0 1 278.783 2.639 20 30 CFEDMN C=CCN1CC[C@@H](NC(=O)[C@H](C)c2ccc(Cl)s2)C1 ZINC001015962162 651218368 /nfs/dbraw/zinc/21/83/68/651218368.db2.gz FHIANKVABPHGQN-GHMZBOCLSA-N 0 1 298.839 2.882 20 30 CFEDMN C=C(C)CN1CC[C@H](NC(=O)c2c(F)cccc2Cl)C1 ZINC001016069021 651223583 /nfs/dbraw/zinc/22/35/83/651223583.db2.gz PWOSPBMNPMQCIA-NSHDSACASA-N 0 1 296.773 2.859 20 30 CFEDMN C=CCN1CC[C@H](NC(=O)c2ccc3ccccc3c2)C1 ZINC001016068160 651223752 /nfs/dbraw/zinc/22/37/52/651223752.db2.gz IVRMHGZZPGLBMA-KRWDZBQOSA-N 0 1 280.371 2.830 20 30 CFEDMN C=CCN1CC[C@@H](NC(=O)c2coc3ccc(F)cc23)C1 ZINC001016123294 651225180 /nfs/dbraw/zinc/22/51/80/651225180.db2.gz LYUUFWWWZNTTGG-GFCCVEGCSA-N 0 1 288.322 2.562 20 30 CFEDMN C#CCCN1CC[C@@H](NC(=O)c2oc3ccccc3c2C)C1 ZINC001016180327 651227138 /nfs/dbraw/zinc/22/71/38/651227138.db2.gz JARKVDHWRLEASI-CQSZACIVSA-N 0 1 296.370 2.569 20 30 CFEDMN C=C(C)CN1CC[C@H](NC(=O)[C@]2(C)CCc3ccccc32)C1 ZINC001016375192 651232012 /nfs/dbraw/zinc/23/20/12/651232012.db2.gz MOCXAUWUFKEFQN-QFBILLFUSA-N 0 1 298.430 2.657 20 30 CFEDMN C=CCN1CC[C@H](NC(=O)C(C)(C)c2ccccc2C)C1 ZINC001016410419 651232782 /nfs/dbraw/zinc/23/27/82/651232782.db2.gz AZPAUMUMKSTVSR-HNNXBMFYSA-N 0 1 286.419 2.649 20 30 CFEDMN C=CCN1CC[C@@H](NC(=O)Cc2c(C)oc3ccccc32)C1 ZINC001016433287 651233887 /nfs/dbraw/zinc/23/38/87/651233887.db2.gz JPXZJVHRBORMPQ-CQSZACIVSA-N 0 1 298.386 2.660 20 30 CFEDMN C=CCCN1CC[C@H](NC(=O)c2cnc(C(C)C)s2)C1 ZINC001016443423 651234273 /nfs/dbraw/zinc/23/42/73/651234273.db2.gz LUAAZDFUAZXTBO-LBPRGKRZSA-N 0 1 293.436 2.647 20 30 CFEDMN C=CCCN1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@]1(C)C=CCC1 ZINC001017809967 651258496 /nfs/dbraw/zinc/25/84/96/651258496.db2.gz KKQGJNOLQINXHS-UXLLHSPISA-N 0 1 274.408 2.594 20 30 CFEDMN C=C(Cl)CN[C@H]1CCN(C(=O)c2sccc2C)C1 ZINC001018424809 651270926 /nfs/dbraw/zinc/27/09/26/651270926.db2.gz IAFWKIXFHNFGGT-NSHDSACASA-N 0 1 284.812 2.613 20 30 CFEDMN C=C(Cl)CN[C@H]1CCN(C(=O)c2cc(C)sc2C)C1 ZINC001019104984 651279327 /nfs/dbraw/zinc/27/93/27/651279327.db2.gz TVJGGTNNEUOQIP-LBPRGKRZSA-N 0 1 298.839 2.922 20 30 CFEDMN CNc1cc(C(=O)C(C#N)c2ccccn2)cc(Cl)n1 ZINC000118912314 651294967 /nfs/dbraw/zinc/29/49/67/651294967.db2.gz BTIWORVOKYTKJR-SNVBAGLBSA-N 0 1 286.722 2.662 20 30 CFEDMN C#CCCN1CC[C@H]1CN(C)C(=O)[C@H]1CC[C@H](CC)CC1 ZINC001085936907 782207050 /nfs/dbraw/zinc/20/70/50/782207050.db2.gz QFUNBDFSVHAUQQ-ULQDDVLXSA-N 0 1 290.451 2.759 20 30 CFEDMN C=C(C)CN1CC[C@H]1CN(C)C(=O)[C@H]1CC[C@H](C)CC1 ZINC001085935497 782208599 /nfs/dbraw/zinc/20/85/99/782208599.db2.gz HBYYYJIRPGZXJO-JYJNAYRXSA-N 0 1 278.440 2.922 20 30 CFEDMN C=C(C)CN1CC[C@@H]1CN(C)C(=O)c1ccc(C2CC2)cn1 ZINC001085951329 782214865 /nfs/dbraw/zinc/21/48/65/782214865.db2.gz DDKSESPBSQFSGU-MRXNPFEDSA-N 0 1 299.418 2.681 20 30 CFEDMN C#CCCN1CC[C@H]1CN(C)C(=O)[C@H]1CCCCC1(C)C ZINC001085991791 782230614 /nfs/dbraw/zinc/23/06/14/782230614.db2.gz VOSMIDMOVQMJBR-JKSUJKDBSA-N 0 1 290.451 2.759 20 30 CFEDMN C=C(Cl)CNCCN(CC)C(=O)c1cccc(F)c1C ZINC001273389350 782241271 /nfs/dbraw/zinc/24/12/71/782241271.db2.gz JKRFSOVNMGDYFR-UHFFFAOYSA-N 0 1 298.789 2.938 20 30 CFEDMN C=CCCC(=O)N[C@H]1CCCN(CC(=C)Cl)CC1 ZINC001273401657 782271726 /nfs/dbraw/zinc/27/17/26/782271726.db2.gz XAWUEPPBZWHEOD-ZDUSSCGKSA-N 0 1 270.804 2.676 20 30 CFEDMN N#CCOc1ccccc1-c1cc2[nH]cnc2cn1 ZINC001243580026 782289552 /nfs/dbraw/zinc/28/95/52/782289552.db2.gz KEMOHSWOZFLCQZ-UHFFFAOYSA-N 0 1 250.261 2.527 20 30 CFEDMN C=CCCCCCCN1CCN(C(=O)CC)CC1 ZINC001209431084 770083476 /nfs/dbraw/zinc/08/34/76/770083476.db2.gz HDBJVOGHYSXJFF-UHFFFAOYSA-N 0 1 252.402 2.677 20 30 CFEDMN C#C[C@@H]1CCCN(C(=O)c2ccc(O)c(Cl)c2)C1 ZINC000692300599 770479781 /nfs/dbraw/zinc/47/97/81/770479781.db2.gz LCWCSWSSUKNAGA-SNVBAGLBSA-N 0 1 263.724 2.531 20 30 CFEDMN C=CC(C)(C)CC(=O)N[C@H](C)[C@H]1CCCN(CCF)C1 ZINC001266889398 770716441 /nfs/dbraw/zinc/71/64/41/770716441.db2.gz DGUWDVQRJCMSDQ-KGLIPLIRSA-N 0 1 284.419 2.775 20 30 CFEDMN C=C[C@@H](CC)Oc1[nH]c(=O)nc2cccc(OC)c21 ZINC001229240106 776763130 /nfs/dbraw/zinc/76/31/30/776763130.db2.gz TZTUSTXVXDPQDG-VIFPVBQESA-N 0 1 260.293 2.687 20 30 CFEDMN C=C(C)CCN1CC(NC(=O)C[C@@H]2CCC(F)(F)C2)C1 ZINC001030413419 778861870 /nfs/dbraw/zinc/86/18/70/778861870.db2.gz VLXFUVJHLNCDPN-LBPRGKRZSA-N 0 1 286.366 2.579 20 30 CFEDMN C=CCN1CC[C@H](N(C)C(=O)[C@H]2CCC(C)(C)C2)C1 ZINC001033393477 780670397 /nfs/dbraw/zinc/67/03/97/780670397.db2.gz JIXQUGBRDPESBA-KBPBESRZSA-N 0 1 264.413 2.531 20 30 CFEDMN C#CCN1CC[C@@H](N(CC)C(=O)[C@H]2CCCCC2(C)C)C1 ZINC001034050416 780867765 /nfs/dbraw/zinc/86/77/65/780867765.db2.gz LTGSZXBIUSPONA-HZPDHXFCSA-N 0 1 290.451 2.759 20 30 CFEDMN C=C(C)CCN1CC[C@@H]1CNC(=O)c1cc(C)c(C)o1 ZINC001038169218 769906807 /nfs/dbraw/zinc/90/68/07/769906807.db2.gz UQXROZYKWDRUGJ-CQSZACIVSA-N 0 1 276.380 2.667 20 30 CFEDMN C=CCCCC(=O)NCCN(C)Cc1ccc(F)c(F)c1 ZINC001266315889 769953224 /nfs/dbraw/zinc/95/32/24/769953224.db2.gz JRAPEOVYQGILSL-UHFFFAOYSA-N 0 1 296.361 2.869 20 30 CFEDMN CC#CCN1CC[C@H](NC(=O)CC[C@H](C)c2ccccc2)C1 ZINC001266344670 769993148 /nfs/dbraw/zinc/99/31/48/769993148.db2.gz KPLABAAELAJMRD-WMZOPIPTSA-N 0 1 298.430 2.784 20 30 CFEDMN C=CCCCCCCN1CCOC[C@](O)(C(F)(F)F)C1 ZINC001209430942 770082817 /nfs/dbraw/zinc/08/28/17/770082817.db2.gz FEPQZEZRABWPQP-ZDUSSCGKSA-N 0 1 295.345 2.749 20 30 CFEDMN N#Cc1ccc(CN2CCC3(C[C@@H](F)CO3)CC2)c(F)c1 ZINC001140140280 770200011 /nfs/dbraw/zinc/20/00/11/770200011.db2.gz OTBQEGNDFKCSSL-CQSZACIVSA-N 0 1 292.329 2.790 20 30 CFEDMN C=C[C@](C)(CC)C(=O)NC[C@H]1CCN(C/C=C/Cl)C1 ZINC001266534783 770287975 /nfs/dbraw/zinc/28/79/75/770287975.db2.gz YFOIDALHFWUCHE-AQGQNPDFSA-N 0 1 284.831 2.779 20 30 CFEDMN C[C@@H]1CC(=O)C=C(Nc2cc(C#N)c(F)cc2O)C1 ZINC001210775852 770364081 /nfs/dbraw/zinc/36/40/81/770364081.db2.gz PTIPGKGPFYLZRF-QMMMGPOBSA-N 0 1 260.268 2.698 20 30 CFEDMN CC(C)CCC(=O)N(C)CCNCc1ccccc1C#N ZINC001266636898 770471878 /nfs/dbraw/zinc/47/18/78/770471878.db2.gz UOEXQDOOFIOPLI-UHFFFAOYSA-N 0 1 287.407 2.542 20 30 CFEDMN C=CCN1CC[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1[C@@H]2CCCC[C@@H]21 ZINC001039354058 770536600 /nfs/dbraw/zinc/53/66/00/770536600.db2.gz RATCRTZIRBLKGB-ALYAQQCSSA-N 0 1 288.435 2.674 20 30 CFEDMN C=CCN1CC[C@H]2CC[C@@H](C1)N2C(=O)c1ccc(Cl)[nH]1 ZINC001039431141 770670588 /nfs/dbraw/zinc/67/05/88/770670588.db2.gz MWHYRLRWDGDBTF-NEPJUHHUSA-N 0 1 293.798 2.533 20 30 CFEDMN CC#CCN1CCCC[C@H]1CNC(=O)C[C@H]1CC=CCC1 ZINC001266849898 770672281 /nfs/dbraw/zinc/67/22/81/770672281.db2.gz PGFYOQUIJRKDIX-IRXDYDNUSA-N 0 1 288.435 2.727 20 30 CFEDMN C=C(C)C(C)(C)C(=O)NC[C@@H](C)NCC#Cc1ccccc1 ZINC001266963051 770771606 /nfs/dbraw/zinc/77/16/06/770771606.db2.gz YIURTWSKGXBUHI-MRXNPFEDSA-N 0 1 298.430 2.735 20 30 CFEDMN CC(C)c1nc2c(ncnc2NCc2ccccc2C#N)[nH]1 ZINC001167635735 773203830 /nfs/dbraw/zinc/20/38/30/773203830.db2.gz RQKGIJVHOMSJBX-UHFFFAOYSA-N 0 1 292.346 2.960 20 30 CFEDMN N#Cc1ccccc1CNc1cc(O[C@@H]2CCOC2)ccn1 ZINC001167637163 773205189 /nfs/dbraw/zinc/20/51/89/773205189.db2.gz JZRNSYQJXBIZAK-MRXNPFEDSA-N 0 1 295.342 2.733 20 30 CFEDMN C=CCCCC(=O)NCCN(C)Cc1cccc(F)c1 ZINC001267214084 773216235 /nfs/dbraw/zinc/21/62/35/773216235.db2.gz JYEWHZBFRWGENH-UHFFFAOYSA-N 0 1 278.371 2.730 20 30 CFEDMN Cc1nc(C)c(C(=O)Nc2cc(C#N)ccc2O)s1 ZINC000176407573 773221173 /nfs/dbraw/zinc/22/11/73/773221173.db2.gz JBVIQWCBZJPMQO-UHFFFAOYSA-N 0 1 273.317 2.590 20 30 CFEDMN CC#CCN(C)CCNC(=O)c1ccc(C)c(C)c1Cl ZINC001267226261 773228512 /nfs/dbraw/zinc/22/85/12/773228512.db2.gz PSPRUBLFDNZTOO-UHFFFAOYSA-N 0 1 292.810 2.642 20 30 CFEDMN N#C[C@H]1CN(Cc2csc3ccccc23)CCC1=O ZINC001140638163 773244040 /nfs/dbraw/zinc/24/40/40/773244040.db2.gz KKZQDNATWLSDQN-NSHDSACASA-N 0 1 270.357 2.816 20 30 CFEDMN C=CCCC(=O)NC[C@H]1CCCN1Cc1ccc(F)cc1 ZINC001267259246 775114934 /nfs/dbraw/zinc/11/49/34/775114934.db2.gz BJLNHLOKIRWVNB-MRXNPFEDSA-N 0 1 290.382 2.873 20 30 CFEDMN C=C1O[C@H](C)C(=O)C1OCc1cc(C)ccc1C(=O)OC ZINC001224200434 775127103 /nfs/dbraw/zinc/12/71/03/775127103.db2.gz QFEITLBQWRPXDD-SNVBAGLBSA-N 0 1 290.315 2.518 20 30 CFEDMN CC#CCN1CCC[C@@H]1CNC(=O)CCc1ccccc1C ZINC001267275189 775139786 /nfs/dbraw/zinc/13/97/86/775139786.db2.gz DPKLKLDQRJKYHN-GOSISDBHSA-N 0 1 298.430 2.532 20 30 CFEDMN C=C[C@@H](C(=O)NC[C@@H]1CCCN1CC#CC)c1ccccc1 ZINC001267283383 775152478 /nfs/dbraw/zinc/15/24/78/775152478.db2.gz WVYDNNFVWGMCQA-ZWKOTPCHSA-N 0 1 296.414 2.560 20 30 CFEDMN C=C1O[C@@H](CC)C(=O)C1OCCc1ccc2c(c1)CCO2 ZINC001224519467 775209815 /nfs/dbraw/zinc/20/98/15/775209815.db2.gz IYNBNCVEZLYPAK-AWEZNQCLSA-N 0 1 288.343 2.790 20 30 CFEDMN C#CCCN1CC[C@H]1CNC(=O)CC(C)(C)c1ccccc1 ZINC001276980561 775218060 /nfs/dbraw/zinc/21/80/60/775218060.db2.gz VDJZYVZKBAGBDS-KRWDZBQOSA-N 0 1 298.430 2.568 20 30 CFEDMN C#CCN[C@@H](CNC(=O)CC(CC)CC)c1ccccc1 ZINC001267377444 775284257 /nfs/dbraw/zinc/28/42/57/775284257.db2.gz PRJNXKROTBTMIQ-KRWDZBQOSA-N 0 1 286.419 2.893 20 30 CFEDMN C=C(Cl)CNCCNC(=O)C1(C2CCCCC2)CC1 ZINC001149134245 775308468 /nfs/dbraw/zinc/30/84/68/775308468.db2.gz GTKFFBHGKWKMMA-UHFFFAOYSA-N 0 1 284.831 2.805 20 30 CFEDMN C[C@H](c1ccccn1)N1CC[C@@H](OCC2(C#N)CC2)C1 ZINC001224948389 775314721 /nfs/dbraw/zinc/31/47/21/775314721.db2.gz OADZSAKOYTXOSK-ZIAGYGMSSA-N 0 1 271.364 2.537 20 30 CFEDMN C=CCC(CC=C)C(=O)N1C[C@H]2CC[C@@H](C1)N2CC=C ZINC001267404920 775315626 /nfs/dbraw/zinc/31/56/26/775315626.db2.gz DCFUOBWXKFTBSV-IYBDPMFKSA-N 0 1 274.408 2.616 20 30 CFEDMN C=C[C@@](C)(CC)C(=O)N(C)CCNCc1ccccc1C#N ZINC001267424245 775321381 /nfs/dbraw/zinc/32/13/81/775321381.db2.gz IBCSQIDKXBOHET-SFHVURJKSA-N 0 1 299.418 2.709 20 30 CFEDMN C=C(Cl)CNCCN(C)C(=O)C(C)(C)c1ccccc1 ZINC001267465795 775364536 /nfs/dbraw/zinc/36/45/36/775364536.db2.gz IOTQDAUULWNISY-UHFFFAOYSA-N 0 1 294.826 2.765 20 30 CFEDMN C#CCN[C@H](CNC(=O)C[C@@H]1C=CCCC1)c1ccccc1 ZINC001267521623 775418195 /nfs/dbraw/zinc/41/81/95/775418195.db2.gz UQRDMFOKYQJDFG-SJLPKXTDSA-N 0 1 296.414 2.813 20 30 CFEDMN C=CCN1CCCC[C@@H]1CNC(=O)c1ccc(CF)cc1 ZINC001024818961 775428452 /nfs/dbraw/zinc/42/84/52/775428452.db2.gz IYUBZUOFHHRXDD-MRXNPFEDSA-N 0 1 290.382 2.926 20 30 CFEDMN C#CCN1CCCC[C@@H]1CNC(=O)[C@@H]1CCCC(C)(C)C1 ZINC001024818725 775429297 /nfs/dbraw/zinc/42/92/97/775429297.db2.gz HISTVQQQZHJKIC-HZPDHXFCSA-N 0 1 290.451 2.807 20 30 CFEDMN C=CCN1CC[C@@H](N(CCC)C(=O)C2CC3(CC3)C2)C1 ZINC001267546031 775455133 /nfs/dbraw/zinc/45/51/33/775455133.db2.gz HJBBFKIHMMANFK-OAHLLOKOSA-N 0 1 276.424 2.676 20 30 CFEDMN C=C[C@@](C)(CC)C(=O)N(C)C[C@@H](C)NCc1cnc(C)o1 ZINC001283663398 775484492 /nfs/dbraw/zinc/48/44/92/775484492.db2.gz NDZFHTCIFZTBHI-WBMJQRKESA-N 0 1 293.411 2.522 20 30 CFEDMN C=CCN1CC[C@H]2CCN(C(=O)c3occc3Cl)C[C@H]21 ZINC001042221805 775499008 /nfs/dbraw/zinc/49/90/08/775499008.db2.gz MRGHOANERDGLFT-WCQYABFASA-N 0 1 294.782 2.655 20 30 CFEDMN C=C(Cl)CN1CCC[C@H]1[C@@H]1CCCCN1C(=O)C1CC1 ZINC001025182578 775557272 /nfs/dbraw/zinc/55/72/72/775557272.db2.gz FTPOHMFZXVOIBR-GJZGRUSLSA-N 0 1 296.842 2.994 20 30 CFEDMN C[N@H+]1CCC[C@@H](Oc2cc(Cl)cc(C#N)c2)C1 ZINC001225698614 775562249 /nfs/dbraw/zinc/56/22/49/775562249.db2.gz VSDHADGTYWHXQF-GFCCVEGCSA-N 0 1 250.729 2.685 20 30 CFEDMN C=CCC1(C(=O)NCC2CCN(CCF)CC2)CCCC1 ZINC001225702230 775565869 /nfs/dbraw/zinc/56/58/69/775565869.db2.gz IJKKIUKDIFMQHZ-UHFFFAOYSA-N 0 1 296.430 2.921 20 30 CFEDMN CC#CC[C@H](CC)Oc1nc(C(F)(F)F)cc(=O)[nH]1 ZINC001225977413 775654540 /nfs/dbraw/zinc/65/45/40/775654540.db2.gz HSZJPFUYYIDSRF-QMMMGPOBSA-N 0 1 274.242 2.772 20 30 CFEDMN C=C[C@H](CCC)Oc1nc(C(F)(F)F)cc(=O)[nH]1 ZINC001225979631 775656610 /nfs/dbraw/zinc/65/66/10/775656610.db2.gz IJGPYDBXZNMMDW-SSDOTTSWSA-N 0 1 262.231 2.935 20 30 CFEDMN C=CCC[C@@H](C)N1CC(NC(=O)[C@@H]2C[C@H]2c2ccco2)C1 ZINC001267660083 775759844 /nfs/dbraw/zinc/75/98/44/775759844.db2.gz LXSKLIXTPUGGOO-BPLDGKMQSA-N 0 1 288.391 2.538 20 30 CFEDMN C=C1O[C@@H](C)C(=O)C1Oc1ccc(Cl)cc1C(=O)OC ZINC001226323687 775779498 /nfs/dbraw/zinc/77/94/98/775779498.db2.gz GEEPCUBQPWMHGG-ZETCQYMHSA-N 0 1 296.706 2.725 20 30 CFEDMN CC#C[C@H](CC)Oc1[nH]c(=O)nc2ccc(F)cc21 ZINC001226407132 775809359 /nfs/dbraw/zinc/80/93/59/775809359.db2.gz KLXREVAWXLHMPW-JTQLQIEISA-N 0 1 260.268 2.655 20 30 CFEDMN C=C1O[C@H](CC)C(=O)C1Oc1nc2ccc(C)cc2[nH]1 ZINC001226510393 775852926 /nfs/dbraw/zinc/85/29/26/775852926.db2.gz YKMXUQUVKXHLJZ-GFCCVEGCSA-N 0 1 272.304 2.860 20 30 CFEDMN C=C(C)C(C)(C)C(=O)N[C@@H]1CCN(CCOCCCC)C1 ZINC001267746911 775869755 /nfs/dbraw/zinc/86/97/55/775869755.db2.gz BZAGIZCEHOANME-OAHLLOKOSA-N 0 1 296.455 2.596 20 30 CFEDMN C#C[C@@H](CC(C)C)Oc1[nH]c(=O)nc2nc(Cl)ccc21 ZINC001226556473 775872637 /nfs/dbraw/zinc/87/26/37/775872637.db2.gz NSMUZPQFMYJPBR-VIFPVBQESA-N 0 1 291.738 2.811 20 30 CFEDMN CC#CCN1CC[C@@H](N(C)C(=O)C(C)(C)CC(C)C)C1 ZINC001267776878 775918407 /nfs/dbraw/zinc/91/84/07/775918407.db2.gz NUZYBBUQOSQHNA-OAHLLOKOSA-N 0 1 278.440 2.615 20 30 CFEDMN C#C[C@H](Oc1nc2ccc(F)cc2[nH]1)c1ccncc1 ZINC001226705063 775930754 /nfs/dbraw/zinc/93/07/54/775930754.db2.gz RSXSCSPORMQDHM-AWEZNQCLSA-N 0 1 267.263 2.850 20 30 CFEDMN CN1CCOc2cc(CN3CCC(C)(C#N)CC3)ccc21 ZINC001141144001 775952616 /nfs/dbraw/zinc/95/26/16/775952616.db2.gz RWWKUHIQCSZVQT-UHFFFAOYSA-N 0 1 285.391 2.641 20 30 CFEDMN C#C[C@@H](CCCCC)Oc1nc2[nH]cnc2c(=S)[nH]1 ZINC001226780513 775961297 /nfs/dbraw/zinc/96/12/97/775961297.db2.gz NDTVBZRWFWUPSN-VIFPVBQESA-N 0 1 276.365 2.603 20 30 CFEDMN C=C[C@@H](CCC)Oc1nc(=O)[nH]c(C)c1Br ZINC001226788303 775965013 /nfs/dbraw/zinc/96/50/13/775965013.db2.gz VDWHSQMPASJXRO-QMMMGPOBSA-N 0 1 287.157 2.987 20 30 CFEDMN C=CCCCC(=O)NCC1(NCC=C(Cl)Cl)CC1 ZINC001277157909 775980894 /nfs/dbraw/zinc/98/08/94/775980894.db2.gz MBPACAMSDCXSFB-UHFFFAOYSA-N 0 1 291.222 2.900 20 30 CFEDMN C[C@H](C#C[Si](C)(C)C)Oc1[nH]c(=O)nc2ccccc21 ZINC001226977490 776043685 /nfs/dbraw/zinc/04/36/85/776043685.db2.gz QONGBEOLWSIJQT-LLVKDONJSA-N 0 1 286.407 2.984 20 30 CFEDMN C#C[C@H](CCCC)Oc1[nH]c(=O)nc2ccccc21 ZINC001226977760 776043701 /nfs/dbraw/zinc/04/37/01/776043701.db2.gz USJVHPCHYKLYKC-LLVKDONJSA-N 0 1 256.305 2.906 20 30 CFEDMN C#C[C@@](C)(CC)NCc1ccc(F)cc1[N+](=O)[O-] ZINC000692718294 776053273 /nfs/dbraw/zinc/05/32/73/776053273.db2.gz ZMEFWBZRLOYUQL-ZDUSSCGKSA-N 0 1 250.273 2.625 20 30 CFEDMN COC(=O)[C@H]1CCC[C@H](Oc2nc3ccc(C#N)cc3[nH]2)C1 ZINC001227219481 776142696 /nfs/dbraw/zinc/14/26/96/776142696.db2.gz LJJJXTZPJOHCNU-RYUDHWBXSA-N 0 1 299.330 2.545 20 30 CFEDMN C=C[C@H](C#CC(C)(C)C)Oc1[nH]c(=O)nc2[nH]ccc21 ZINC001227274645 776167901 /nfs/dbraw/zinc/16/79/01/776167901.db2.gz OGDVQHVHDMKYDJ-SNVBAGLBSA-N 0 1 271.320 2.646 20 30 CFEDMN CCC#C[C@H](C)Oc1[nH]c(=O)nc2ccc(C)cc21 ZINC001227348647 776181992 /nfs/dbraw/zinc/18/19/92/776181992.db2.gz CZGQJVOIVVUKPS-NSHDSACASA-N 0 1 256.305 2.825 20 30 CFEDMN C#CCCCCC(=O)NCCNCc1sccc1Cl ZINC001125966828 776195014 /nfs/dbraw/zinc/19/50/14/776195014.db2.gz FFZLOAUBZYUJTF-UHFFFAOYSA-N 0 1 298.839 2.801 20 30 CFEDMN N#CC(C(=O)CCC1CCCCC1)C(=O)N1CCCC1 ZINC000124439428 776209252 /nfs/dbraw/zinc/20/92/52/776209252.db2.gz VUNYTPBPJRCJCS-AWEZNQCLSA-N 0 1 276.380 2.678 20 30 CFEDMN C=CCC[C@H](C)N1CCO[C@H](CNC(=O)/C(C)=C/CC)C1 ZINC001268018951 776222213 /nfs/dbraw/zinc/22/22/13/776222213.db2.gz WELCMAQPRXNBFN-LSHVTDEISA-N 0 1 294.439 2.514 20 30 CFEDMN C=C(C)C[C@H](Oc1[nH]c(=S)nnc1C)C(=C)C ZINC001227600547 776237991 /nfs/dbraw/zinc/23/79/91/776237991.db2.gz FHRDNFQYIFNAOM-JTQLQIEISA-N 0 1 251.355 2.758 20 30 CFEDMN N#CC(C(=O)CCC1CCCC1)C(=O)Nc1ccccn1 ZINC000125145574 776253307 /nfs/dbraw/zinc/25/33/07/776253307.db2.gz MUWYUFHIAXZLRA-CYBMUJFWSA-N 0 1 285.347 2.699 20 30 CFEDMN C#C[C@H](Oc1nc(=O)[nH]c2c1COC2)[C@@H](CC)CCCC ZINC001227690664 776259314 /nfs/dbraw/zinc/25/93/14/776259314.db2.gz NRHKVYYORYRNNP-FZMZJTMJSA-N 0 1 290.363 2.809 20 30 CFEDMN C=C[C@H](CCCCC)Oc1nc(=O)[nH]c2c1COC2 ZINC001227690829 776259766 /nfs/dbraw/zinc/25/97/66/776259766.db2.gz PMHHAWVYNIVPEO-SNVBAGLBSA-N 0 1 264.325 2.726 20 30 CFEDMN N#C[C@@H](C(=O)Cn1ccc2ccccc21)c1ccccn1 ZINC000125469431 776315976 /nfs/dbraw/zinc/31/59/76/776315976.db2.gz IFNGEOXQCMMYRZ-CQSZACIVSA-N 0 1 275.311 2.913 20 30 CFEDMN C=C(Cl)C(C)(C)C(=O)N1CCC[C@H](N(C)CCF)C1 ZINC001027426925 776317056 /nfs/dbraw/zinc/31/70/56/776317056.db2.gz WACLBEWQDPZEBO-LBPRGKRZSA-N 0 1 290.810 2.657 20 30 CFEDMN C#C[C@H](CC)Oc1[nH]c(=O)nc2cc(Cl)ccc21 ZINC001227989456 776352207 /nfs/dbraw/zinc/35/22/07/776352207.db2.gz LTQJTZABUPPZJU-SECBINFHSA-N 0 1 262.696 2.779 20 30 CFEDMN C#CC[N@H+](C)[C@H]1CCCN(C(=O)c2ccc(C3CC3)cc2)C1 ZINC001027691833 776409648 /nfs/dbraw/zinc/40/96/48/776409648.db2.gz VSLLOUNKDHOWCR-SFHVURJKSA-N 0 1 296.414 2.734 20 30 CFEDMN C=C[C@]1(C)CC[C@H](C(C)(C)OCc2cnc[nH]2)O1 ZINC001223000052 776411145 /nfs/dbraw/zinc/41/11/45/776411145.db2.gz KBLNXRHETRIRHT-TZMCWYRMSA-N 0 1 250.342 2.829 20 30 CFEDMN C=C[C@H](CCC)Oc1[nH]c(=O)nc2cc([N+](=O)[O-])ccc21 ZINC001228241766 776431789 /nfs/dbraw/zinc/43/17/89/776431789.db2.gz FYROLBPJMKLLBO-SNVBAGLBSA-N 0 1 289.291 2.977 20 30 CFEDMN C=C[C@@H](CCC)Oc1[nH]c(=O)nc2cc([N+](=O)[O-])ccc21 ZINC001228241762 776431809 /nfs/dbraw/zinc/43/18/09/776431809.db2.gz FYROLBPJMKLLBO-JTQLQIEISA-N 0 1 289.291 2.977 20 30 CFEDMN C=C1O[C@@H](C)C(=O)C1Oc1ccc(OCC)c(F)c1 ZINC001228355703 776471773 /nfs/dbraw/zinc/47/17/73/776471773.db2.gz BITXEYHQHNLLJK-QMMMGPOBSA-N 0 1 266.268 2.823 20 30 CFEDMN C#CCC[N@@H+]1CCC[C@H]1CNC(=O)c1ccc2occc2c1 ZINC001027899137 776500081 /nfs/dbraw/zinc/50/00/81/776500081.db2.gz YCJHSDFJKQTEHR-INIZCTEOSA-N 0 1 296.370 2.650 20 30 CFEDMN C#CC[N@@H+]1CCC[C@H]1CNC(=O)c1c(C)oc2ccccc21 ZINC001027902343 776502751 /nfs/dbraw/zinc/50/27/51/776502751.db2.gz OBCKPPDBXDXFAP-AWEZNQCLSA-N 0 1 296.370 2.569 20 30 CFEDMN C#CCN1CCC[C@H]1CNC(=O)c1c(C)oc2ccccc21 ZINC001027902343 776502756 /nfs/dbraw/zinc/50/27/56/776502756.db2.gz OBCKPPDBXDXFAP-AWEZNQCLSA-N 0 1 296.370 2.569 20 30 CFEDMN C=CC[N@@H+]1CCC[C@@H]1CNC(=O)c1ccc2cc(C)cn2c1 ZINC001027926079 776514877 /nfs/dbraw/zinc/51/48/77/776514877.db2.gz JZCPIPBSCCEVAW-QGZVFWFLSA-N 0 1 297.402 2.628 20 30 CFEDMN C=CCN1CCC[C@@H]1CNC(=O)c1cscc1Cl ZINC001027950335 776523729 /nfs/dbraw/zinc/52/37/29/776523729.db2.gz BZMWOCVESWXZJY-SNVBAGLBSA-N 0 1 284.812 2.782 20 30 CFEDMN CC#CCN1CCC[C@H]1CNC(=O)[C@@H]1CCC=CCCC1 ZINC001027967668 776532971 /nfs/dbraw/zinc/53/29/71/776532971.db2.gz WVFSPTNLKTVMFC-SJORKVTESA-N 0 1 288.435 2.727 20 30 CFEDMN C=CCN1CCC[C@@H]1CNC(=O)c1ccc(C)nc1C1CC1 ZINC001028054560 776574202 /nfs/dbraw/zinc/57/42/02/776574202.db2.gz YCURHLPQJVSLRC-OAHLLOKOSA-N 0 1 299.418 2.648 20 30 CFEDMN C=CC[C@H](C=C)Oc1cc(O)c(C(=O)OC)cc1[N+](=O)[O-] ZINC001228814428 776621000 /nfs/dbraw/zinc/62/10/00/776621000.db2.gz NRDSMJOWQBJZRG-VIFPVBQESA-N 0 1 293.275 2.597 20 30 CFEDMN C=CCN1CCC[C@H]1CNC(=O)c1ccc(C(C)C)cn1 ZINC001028135263 776651933 /nfs/dbraw/zinc/65/19/33/776651933.db2.gz OSXMOHPQNBKYSJ-HNNXBMFYSA-N 0 1 287.407 2.585 20 30 CFEDMN C=CCN1CCC[C@H]1CNC(=O)c1ccc(Cl)c(F)c1 ZINC001028159904 776671086 /nfs/dbraw/zinc/67/10/86/776671086.db2.gz LHCNIPFENYZUMX-LBPRGKRZSA-N 0 1 296.773 2.859 20 30 CFEDMN C#CCCN1CCC[C@@H]1CNC(=O)c1cc(Cl)cs1 ZINC001028177760 776681093 /nfs/dbraw/zinc/68/10/93/776681093.db2.gz IRSJLZPYRKUIFW-GFCCVEGCSA-N 0 1 296.823 2.619 20 30 CFEDMN CN1CCC[C@H](Oc2cccc(C#N)c2Cl)C1 ZINC001229066796 776706166 /nfs/dbraw/zinc/70/61/66/776706166.db2.gz FMNRXLJSNWXGEU-NSHDSACASA-N 0 1 250.729 2.685 20 30 CFEDMN C#CCN(C)CCN(C)C(=O)C[C@@H](CC)c1ccccc1 ZINC001268254347 776724659 /nfs/dbraw/zinc/72/46/59/776724659.db2.gz OVVZWTASUMLELY-MRXNPFEDSA-N 0 1 286.419 2.594 20 30 CFEDMN C=CC[C@@H](Oc1[nH]c(=O)[nH]c(=O)c1F)c1ccccc1 ZINC001229124432 776726827 /nfs/dbraw/zinc/72/68/27/776726827.db2.gz MDWDTVILBGPYLF-SNVBAGLBSA-N 0 1 276.267 2.723 20 30 CFEDMN C=C[C@@H](CC)Oc1[nH]c(=O)nc2cc(OC)ccc21 ZINC001229137174 776730261 /nfs/dbraw/zinc/73/02/61/776730261.db2.gz HICLTPBMWULVSV-VIFPVBQESA-N 0 1 260.293 2.687 20 30 CFEDMN C=CCC[C@@H](C)N1CC(NC(=O)C[C@@H]2C=CCCC2)C1 ZINC001268327613 776748560 /nfs/dbraw/zinc/74/85/60/776748560.db2.gz LVCRQBISBLRFEK-HUUCEWRRSA-N 0 1 276.424 2.888 20 30 CFEDMN C=C[C@@H](Oc1nc(C)[nH]c(=O)c1[N+](=O)[O-])c1ccccc1 ZINC001229378129 776794879 /nfs/dbraw/zinc/79/48/79/776794879.db2.gz HQIPGVJFGMXESG-LLVKDONJSA-N 0 1 287.275 2.705 20 30 CFEDMN C=CCN1CCC[C@@H]1CNC(=O)c1ccc2ccccc2n1 ZINC001028279573 776796078 /nfs/dbraw/zinc/79/60/78/776796078.db2.gz QJCSGMHSTGBNEM-OAHLLOKOSA-N 0 1 295.386 2.615 20 30 CFEDMN CC[C@H](C#Cc1ccccc1)Oc1nc(C)nc2[nH]cnc21 ZINC001229438337 776811764 /nfs/dbraw/zinc/81/17/64/776811764.db2.gz IMCXQPYQYJTESH-CQSZACIVSA-N 0 1 292.342 2.870 20 30 CFEDMN C=CCN1CCC[C@@H]1CNC(=O)c1cc2c(s1)CCC2 ZINC001028302600 776848690 /nfs/dbraw/zinc/84/86/90/776848690.db2.gz UIAICCQQGYNHBZ-CYBMUJFWSA-N 0 1 290.432 2.617 20 30 CFEDMN C=CCN1CCC[C@H]1CNC(=O)c1cc(C)c(C)s1 ZINC001028307768 776850917 /nfs/dbraw/zinc/85/09/17/776850917.db2.gz ORZNTDFIUBZUOI-ZDUSSCGKSA-N 0 1 278.421 2.745 20 30 CFEDMN C=CCN1CCC[C@@H]1CNC(=O)c1c(C)cccc1F ZINC001028347997 776867363 /nfs/dbraw/zinc/86/73/63/776867363.db2.gz IAUOPWMZUAXVLK-CYBMUJFWSA-N 0 1 276.355 2.514 20 30 CFEDMN COc1ccc2nc(O[C@H](C)[C@H](C)S)[nH]c2c1 ZINC001229729593 776880654 /nfs/dbraw/zinc/88/06/54/776880654.db2.gz LLVWTQUCSZHZKR-SFYZADRCSA-N 0 1 252.339 2.657 20 30 CFEDMN C=C(Cl)CNC/C=C\CNC(=O)C1CCCCC1 ZINC001268505900 776904209 /nfs/dbraw/zinc/90/42/09/776904209.db2.gz BJGGAPMUGKLSDP-WAYWQWQTSA-N 0 1 270.804 2.581 20 30 CFEDMN CC1=CC(=O)c2c(O[C@@H]3CCCN(C)CC3)cccc2C1=O ZINC001229914564 776917236 /nfs/dbraw/zinc/91/72/36/776917236.db2.gz UTHZGKZIACSTBN-CYBMUJFWSA-N 0 1 299.370 2.875 20 30 CFEDMN CC#CCN1CCC(NC(=O)[C@@H](CC)CC(C)C)CC1 ZINC001229967507 776927549 /nfs/dbraw/zinc/92/75/49/776927549.db2.gz FVYCIWCZANORFF-HNNXBMFYSA-N 0 1 278.440 2.663 20 30 CFEDMN C=C1O[C@@H](CC)C(=O)C1Oc1nc2ncc(Cl)cc2o1 ZINC001229984916 776931670 /nfs/dbraw/zinc/93/16/70/776931670.db2.gz MMUMQAJVIBIBCI-QMMMGPOBSA-N 0 1 294.694 2.864 20 30 CFEDMN C=C1O[C@@H](C)C(=O)C1Oc1cc(C(=O)OC)c(F)cc1C ZINC001230037228 776947320 /nfs/dbraw/zinc/94/73/20/776947320.db2.gz QPUWRYURTAAZAH-QMMMGPOBSA-N 0 1 294.278 2.519 20 30 CFEDMN C=C(Cl)CNC/C=C/CNC(=O)C[C@@H]1CC=CCC1 ZINC001268576045 776951306 /nfs/dbraw/zinc/95/13/06/776951306.db2.gz TXMKFCSIGYRSTK-VBROQKIQSA-N 0 1 282.815 2.747 20 30 CFEDMN C=CCCCCCN1CC[C@H]1CN(C)C(=O)C(C)(F)F ZINC001230603154 777023747 /nfs/dbraw/zinc/02/37/47/777023747.db2.gz HSIOKRFSXWSAKO-ZDUSSCGKSA-N 0 1 288.382 2.921 20 30 CFEDMN C=CCN(CCCNC(=O)CC(C)C)Cc1cccnc1 ZINC001230656203 777038069 /nfs/dbraw/zinc/03/80/69/777038069.db2.gz XPIOEBNTJBHBSC-UHFFFAOYSA-N 0 1 289.423 2.622 20 30 CFEDMN CC#CCN(C)C[C@@H](C)NC(=O)c1cc(C)c(F)c(C)c1 ZINC001268756595 777045444 /nfs/dbraw/zinc/04/54/44/777045444.db2.gz LRKLPOCPTRVGIJ-CQSZACIVSA-N 0 1 290.382 2.516 20 30 CFEDMN C=CCN(CCCNC(=O)/C=C\C1CC1)Cc1cccnc1 ZINC001230720430 777051094 /nfs/dbraw/zinc/05/10/94/777051094.db2.gz HUUZAKGBXPBJOU-HJWRWDBZSA-N 0 1 299.418 2.542 20 30 CFEDMN C=CCN1CC(CNC(=O)CCCc2sccc2C)C1 ZINC001268900442 777072436 /nfs/dbraw/zinc/07/24/36/777072436.db2.gz GVHOZNNTIAQNKT-UHFFFAOYSA-N 0 1 292.448 2.613 20 30 CFEDMN C=CCCCN1CC[C@@H]1CN(C)C(=O)c1scnc1C ZINC001230845324 777075295 /nfs/dbraw/zinc/07/52/95/777075295.db2.gz ZBCIPBCEKZIFDK-CYBMUJFWSA-N 0 1 293.436 2.564 20 30 CFEDMN CC#CC[C@H](CC)Oc1[nH]c(=O)nc2ccc(OC)cc21 ZINC001230861991 777076337 /nfs/dbraw/zinc/07/63/37/777076337.db2.gz IGIQMUSGRRCJSU-NSHDSACASA-N 0 1 286.331 2.915 20 30 CFEDMN CCC#C[C@@H](C)Oc1[nH]c(=O)nc2cc(F)ccc21 ZINC001230882124 777080876 /nfs/dbraw/zinc/08/08/76/777080876.db2.gz DNCYNHVBZFLPIU-SECBINFHSA-N 0 1 260.268 2.655 20 30 CFEDMN CC#C[C@H](CC)Oc1[nH]c(=O)nc2cc(F)ccc21 ZINC001230882983 777081387 /nfs/dbraw/zinc/08/13/87/777081387.db2.gz IJIGJSPZARUXBC-JTQLQIEISA-N 0 1 260.268 2.655 20 30 CFEDMN C[C@H](CS)Oc1[nH]c(=O)nc2cccc(Cl)c21 ZINC001230887103 777082314 /nfs/dbraw/zinc/08/23/14/777082314.db2.gz VMKLFTXIPUUINL-ZCFIWIBFSA-N 0 1 270.741 2.686 20 30 CFEDMN C=CCC[C@@H](C)N1CC[C@@H]1CN(C)C(=O)c1cncs1 ZINC001230916080 777092963 /nfs/dbraw/zinc/09/29/63/777092963.db2.gz LCBZCTKEFBKUJR-CHWSQXEVSA-N 0 1 293.436 2.644 20 30 CFEDMN CCCCCCCC(=O)N1CCCC2(CN(C)C2)C1 ZINC001269076606 777097278 /nfs/dbraw/zinc/09/72/78/777097278.db2.gz ZPRPGAPARQKLIX-UHFFFAOYSA-N 0 1 266.429 2.901 20 30 CFEDMN C=CCCC[N@@H+]1CC[C@H]1CN(C)C(=O)CSCCC ZINC001230947782 777099090 /nfs/dbraw/zinc/09/90/90/777099090.db2.gz GVIHLHJKBGPICV-AWEZNQCLSA-N 0 1 284.469 2.629 20 30 CFEDMN C=C(C)CN1CC[C@@H]1CN(C)C(=O)C=C1CCCCC1 ZINC001231042198 777122735 /nfs/dbraw/zinc/12/27/35/777122735.db2.gz IHDMKBNAAOOXNK-MRXNPFEDSA-N 0 1 276.424 2.986 20 30 CFEDMN C[C@@H](CS)Oc1nc2cc(Cl)nc(Cl)c2[nH]1 ZINC001231050406 777124872 /nfs/dbraw/zinc/12/48/72/777124872.db2.gz SNBYNCABPRPLIG-BYPYZUCNSA-N 0 1 278.164 2.962 20 30 CFEDMN C#C[C@@H](CCCC)Oc1nc(Cl)nc2[nH]ncc21 ZINC001231047430 777125542 /nfs/dbraw/zinc/12/55/42/777125542.db2.gz SPFRMFARMZWSAA-QMMMGPOBSA-N 0 1 264.716 2.577 20 30 CFEDMN C=CCCC(=O)N(C)C[C@@H]1CCN1CCOCCC(C)C ZINC001231123939 777148896 /nfs/dbraw/zinc/14/88/96/777148896.db2.gz XZBGOOIZMMQLMJ-INIZCTEOSA-N 0 1 296.455 2.548 20 30 CFEDMN C=C(C)CCC(=O)N(C)[C@@H]1CCN(C[C@H](F)CC)C1 ZINC001269246407 777150204 /nfs/dbraw/zinc/15/02/04/777150204.db2.gz XOPZBCNKMKWTQP-ZIAGYGMSSA-N 0 1 270.392 2.624 20 30 CFEDMN C#CCCN1CC[C@H]1CNC(=O)[C@H](C)c1ccc(CC)cc1 ZINC001269321100 777169566 /nfs/dbraw/zinc/16/95/66/777169566.db2.gz OVQZAJFXKULZOA-QAPCUYQASA-N 0 1 298.430 2.566 20 30 CFEDMN C=C(C)CN1CC[C@H]1CN(C)C(=O)[C@@H](C)CCC ZINC001231262217 777180306 /nfs/dbraw/zinc/18/03/06/777180306.db2.gz CZBGQIVYDPXYBA-KBPBESRZSA-N 0 1 252.402 2.531 20 30 CFEDMN CC[C@@H](CNC(=O)C1CC=CC1)NCc1ccccc1C#N ZINC001269384652 777181950 /nfs/dbraw/zinc/18/19/50/777181950.db2.gz VYUYPLFHWYQIEJ-KRWDZBQOSA-N 0 1 297.402 2.509 20 30 CFEDMN C#CCN(C)CCN(C(=O)C[C@@H]1C=CCCC1)C(C)C ZINC001284538158 777206047 /nfs/dbraw/zinc/20/60/47/777206047.db2.gz SDFQAVHVMOUCTM-MRXNPFEDSA-N 0 1 276.424 2.535 20 30 CFEDMN N#C[C@@H]1CCC[N@H+](Cc2cc(C(=O)[O-])ccc2F)CC1 ZINC001231459210 777226441 /nfs/dbraw/zinc/22/64/41/777226441.db2.gz VIFNVQQFHPYZMQ-LLVKDONJSA-N 0 1 276.311 2.650 20 30 CFEDMN C=CCC[C@H](C)N1CC(N(C)C(=O)c2ccccc2F)C1 ZINC001269750389 777240927 /nfs/dbraw/zinc/24/09/27/777240927.db2.gz CGOCWNBZROAEQR-ZDUSSCGKSA-N 0 1 290.382 2.937 20 30 CFEDMN C=CCCC(=O)N(C)C1CN(CC2CC3(CCC3)C2)C1 ZINC001269763939 777245542 /nfs/dbraw/zinc/24/55/42/777245542.db2.gz JCTPMEUEAVSZQO-UHFFFAOYSA-N 0 1 276.424 2.676 20 30 CFEDMN C=CCOC(=O)[C@@H](Nc1nccc(N)c1C)[C@@H](C)CC ZINC001167955296 777249066 /nfs/dbraw/zinc/24/90/66/777249066.db2.gz LSFMLJRFFHYDPD-GWCFXTLKSA-N 0 1 277.368 2.528 20 30 CFEDMN CC(C)Oc1ccc(CN2CCC(S)CC2)cn1 ZINC001231536474 777256110 /nfs/dbraw/zinc/25/61/10/777256110.db2.gz RJFICAYJAIEGDG-UHFFFAOYSA-N 0 1 266.410 2.763 20 30 CFEDMN C#Cc1cccc(CN2CC[C@](O)(C(F)(F)F)[C@@H](C)C2)c1 ZINC001231655844 777294481 /nfs/dbraw/zinc/29/44/81/777294481.db2.gz BZORXOKPYYVIJX-SWLSCSKDSA-N 0 1 297.320 2.803 20 30 CFEDMN C#Cc1cccc(CN(CCO)Cc2cccs2)c1 ZINC001231658910 777296094 /nfs/dbraw/zinc/29/60/94/777296094.db2.gz BCDORUZKGBZTOG-UHFFFAOYSA-N 0 1 271.385 2.724 20 30 CFEDMN CC(=O)[C@H]1CCCCN1Cc1ccc(N(C)CCC#N)cc1 ZINC001231821032 777343723 /nfs/dbraw/zinc/34/37/23/777343723.db2.gz NXBJFUVGFGKNHD-GOSISDBHSA-N 0 1 299.418 2.980 20 30 CFEDMN CC#CCN1C[C@@H]2CCN(C(=O)CC3(C)CCCC3)[C@@H]2C1 ZINC001075758761 777422057 /nfs/dbraw/zinc/42/20/57/777422057.db2.gz LYLHSWBZARGCNE-JKSUJKDBSA-N 0 1 288.435 2.513 20 30 CFEDMN N#CC[C@H]1CCCN(Cc2cc3ncccc3[nH]2)C1 ZINC001232065478 777427172 /nfs/dbraw/zinc/42/71/72/777427172.db2.gz XTULRRHFYBQLRU-GFCCVEGCSA-N 0 1 254.337 2.689 20 30 CFEDMN N#C[C@@H]1CCCN(Cc2cc3ncccc3[nH]2)CC1 ZINC001232065280 777427488 /nfs/dbraw/zinc/42/74/88/777427488.db2.gz QVCXGZQIZWRYFN-GFCCVEGCSA-N 0 1 254.337 2.689 20 30 CFEDMN N#Cc1ccc(CN2CCC3(COC3)CC2)cc1Cl ZINC001232112615 777444233 /nfs/dbraw/zinc/44/42/33/777444233.db2.gz ZMFZSFNFLISCRT-UHFFFAOYSA-N 0 1 276.767 2.824 20 30 CFEDMN COC(=O)[C@@]1(C)CCN(Cc2ccc(C#N)c(Cl)c2)C1 ZINC001232117628 777445820 /nfs/dbraw/zinc/44/58/20/777445820.db2.gz CFHKUQPOFIDCBZ-HNNXBMFYSA-N 0 1 292.766 2.597 20 30 CFEDMN C=CCN1CC[C@H](NC(=O)c2ccc(C)s2)[C@H]1CC ZINC001087488445 777498156 /nfs/dbraw/zinc/49/81/56/777498156.db2.gz BVNUHXVZQFRYDO-QWHCGFSZSA-N 0 1 278.421 2.825 20 30 CFEDMN C#CCN1CC[C@H](NC(=O)CC2CCCCC2)[C@H]1CC ZINC001087495826 777514722 /nfs/dbraw/zinc/51/47/22/777514722.db2.gz YUWFDBSJTQOVKY-JKSUJKDBSA-N 0 1 276.424 2.559 20 30 CFEDMN COc1cc(C)c(CN2[C@@H]3CC[C@H]2C[C@H](C#N)C3)cn1 ZINC001232353280 777534380 /nfs/dbraw/zinc/53/43/80/777534380.db2.gz JFIYGBNTFSDLTA-XMQYKBBCSA-N 0 1 271.364 2.665 20 30 CFEDMN COc1cc(C)c(CN2CCC[C@H](CC#N)C2)cn1 ZINC001232352263 777534588 /nfs/dbraw/zinc/53/45/88/777534588.db2.gz IRVHBUORDXERHQ-CYBMUJFWSA-N 0 1 259.353 2.524 20 30 CFEDMN C=C(C)CN1CC[C@H](NC(=O)c2scnc2C)[C@H]1CC ZINC001087510380 777571364 /nfs/dbraw/zinc/57/13/64/777571364.db2.gz NZXVWNXSRHDHSN-QWHCGFSZSA-N 0 1 293.436 2.610 20 30 CFEDMN N#CCC1CCN(Cc2cc3ccoc3cn2)CC1 ZINC001232552860 777599535 /nfs/dbraw/zinc/59/95/35/777599535.db2.gz IHDHRZXQPLUWJX-UHFFFAOYSA-N 0 1 255.321 2.953 20 30 CFEDMN C#CCN1CCC[C@](C)(CNC(=O)CC2CCCCC2)C1 ZINC001270932210 777607590 /nfs/dbraw/zinc/60/75/90/777607590.db2.gz JXWFLSZROQJEIF-GOSISDBHSA-N 0 1 290.451 2.808 20 30 CFEDMN C#CC1CCN(Cc2ccc(C(=O)OC)cc2Cl)CC1 ZINC001232581631 777608971 /nfs/dbraw/zinc/60/89/71/777608971.db2.gz QRZHFMHLEMOMSZ-UHFFFAOYSA-N 0 1 291.778 2.972 20 30 CFEDMN CCOc1ccnc(CN2[C@@H]3CC[C@H]2C[C@H](C#N)C3)c1 ZINC001232584591 777611259 /nfs/dbraw/zinc/61/12/59/777611259.db2.gz IDFVTMFONMYRBP-XMQYKBBCSA-N 0 1 271.364 2.747 20 30 CFEDMN N#CCCN1CCN(Cc2cccc3c2CCCC3)CC1 ZINC001232636815 777626936 /nfs/dbraw/zinc/62/69/36/777626936.db2.gz HWTVSGRWSDRKDY-UHFFFAOYSA-N 0 1 283.419 2.597 20 30 CFEDMN N#Cc1ccc(O)c(CN2CCC[C@@H](F)C(F)(F)C2)c1 ZINC001232673475 777637117 /nfs/dbraw/zinc/63/71/17/777637117.db2.gz HKQJPTDOFONDRX-CYBMUJFWSA-N 0 1 284.281 2.833 20 30 CFEDMN CN(C)c1ccc(C[N@@H+](C)Cc2cc(C#N)ccc2[O-])cc1 ZINC001232677843 777638432 /nfs/dbraw/zinc/63/84/32/777638432.db2.gz LGBSGMLBSDZUAH-UHFFFAOYSA-N 0 1 295.386 2.962 20 30 CFEDMN COc1cccc2c1CC[N@@H+](Cc1cc(C#N)ccc1[O-])C2 ZINC001232677313 777639008 /nfs/dbraw/zinc/63/90/08/777639008.db2.gz AVMZWFROKRYQNQ-UHFFFAOYSA-N 0 1 294.354 2.831 20 30 CFEDMN C#CCN1CC[C@H](NC(=O)c2ccccc2CCC)[C@H]1CC ZINC001087651555 777672470 /nfs/dbraw/zinc/67/24/70/777672470.db2.gz VHYTZBDKQYTJLF-ZWKOTPCHSA-N 0 1 298.430 2.855 20 30 CFEDMN CC#CCN1CC[C@H](NC(=O)[C@H]2CCCC2(C)C)[C@H]1CC ZINC001087691862 777679455 /nfs/dbraw/zinc/67/94/55/777679455.db2.gz WSYXMWLDRVEZEM-OWCLPIDISA-N 0 1 290.451 2.805 20 30 CFEDMN CCOC(=O)[C@H]1CCCN(Cc2ccc(C#N)s2)[C@@H]1C ZINC001232845724 777692172 /nfs/dbraw/zinc/69/21/72/777692172.db2.gz MOCNBFLFSMEKPN-RISCZKNCSA-N 0 1 292.404 2.783 20 30 CFEDMN CCCCOC(=O)[C@@H]1CC[N@@H+](Cc2ccc(C#N)s2)C1 ZINC001232844810 777692334 /nfs/dbraw/zinc/69/23/34/777692334.db2.gz DZAXOXFYLIUCGU-GFCCVEGCSA-N 0 1 292.404 2.785 20 30 CFEDMN CCCCOC(=O)[C@@H]1CCN(Cc2ccc(C#N)s2)C1 ZINC001232844810 777692338 /nfs/dbraw/zinc/69/23/38/777692338.db2.gz DZAXOXFYLIUCGU-GFCCVEGCSA-N 0 1 292.404 2.785 20 30 CFEDMN C#CCN1CC[C@H](NC(=O)[C@]2(C)CC=C(C)CC2)[C@H]1CC ZINC001087837351 777714613 /nfs/dbraw/zinc/71/46/13/777714613.db2.gz FYWIGEJNFBIQSC-LZLYRXPVSA-N 0 1 288.435 2.725 20 30 CFEDMN N#Cc1cccc(CN2CCC[C@@H](c3ccccn3)C2)n1 ZINC001232924625 777722416 /nfs/dbraw/zinc/72/24/16/777722416.db2.gz OZUJERYKNHBGJK-CQSZACIVSA-N 0 1 278.359 2.728 20 30 CFEDMN Cc1ccccc1O[C@H]1CCN(Cc2cccc(C#N)n2)C1 ZINC001232924832 777722447 /nfs/dbraw/zinc/72/24/47/777722447.db2.gz VRTRKNNWGMTDNA-KRWDZBQOSA-N 0 1 293.370 2.915 20 30 CFEDMN Cc1ccc(CN2CCC[C@@](C)(O)CC2)c(C#N)c1 ZINC001232963197 777740476 /nfs/dbraw/zinc/74/04/76/777740476.db2.gz ZGKZETIALCBARM-MRXNPFEDSA-N 0 1 258.365 2.604 20 30 CFEDMN Cc1ccc(CN2CC[C@@H](OC(C)C)C2)c(C#N)c1 ZINC001232967384 777743029 /nfs/dbraw/zinc/74/30/29/777743029.db2.gz KIMGWCZXPIFGAU-MRXNPFEDSA-N 0 1 258.365 2.866 20 30 CFEDMN C[C@H]1CN(Cc2ccccc2)CCN1Cc1[nH]ccc1C#N ZINC001233047338 777776685 /nfs/dbraw/zinc/77/66/85/777776685.db2.gz WQUSEWSNYMENKY-HNNXBMFYSA-N 0 1 294.402 2.593 20 30 CFEDMN C=C1O[C@H](C)C(=O)C1Oc1ccc(C#N)c(Cl)c1 ZINC001227204009 777788474 /nfs/dbraw/zinc/78/84/74/777788474.db2.gz FLNBXWHFRRCSGJ-SSDOTTSWSA-N 0 1 263.680 2.810 20 30 CFEDMN C#C[C@@H]1CCCN(Cc2[nH]nc3cc(F)ccc32)C1 ZINC001233123270 777801297 /nfs/dbraw/zinc/80/12/97/777801297.db2.gz LHCMLRSAOHMFRJ-LLVKDONJSA-N 0 1 257.312 2.547 20 30 CFEDMN Cc1cc(CN2[C@@H]3CC[C@H]2C[C@H](C#N)C3)cnc1C ZINC001233162034 777810408 /nfs/dbraw/zinc/81/04/08/777810408.db2.gz PCICAFPTNSOPEH-MKZZRHPPSA-N 0 1 255.365 2.965 20 30 CFEDMN Cc1ncc(CN2CCC[C@H](Oc3cccc(C#N)c3)C2)o1 ZINC001233367630 777914686 /nfs/dbraw/zinc/91/46/86/777914686.db2.gz VHIYLRODHJUBJD-INIZCTEOSA-N 0 1 297.358 2.898 20 30 CFEDMN CCCCC[NH+]1CCN(Cc2ccc(C#N)cc2[O-])CC1 ZINC001233386234 777926910 /nfs/dbraw/zinc/92/69/10/777926910.db2.gz LDEUVUVYCCLCTR-UHFFFAOYSA-N 0 1 287.407 2.572 20 30 CFEDMN N#Cc1ccc(C[N@@H+]2C[C@@H]3CCCC[C@@H]3C2)c([O-])c1 ZINC001233383575 777926987 /nfs/dbraw/zinc/92/69/87/777926987.db2.gz MYSMODBNJXEDQH-OKILXGFUSA-N 0 1 256.349 2.886 20 30 CFEDMN N#Cc1ccc(C[N@H+]2CCO[C@@H](c3ccccc3)C2)c([O-])c1 ZINC001233386198 777927879 /nfs/dbraw/zinc/92/78/79/777927879.db2.gz JTCZYERZYFGFPK-GOSISDBHSA-N 0 1 294.354 2.837 20 30 CFEDMN C[N@@H+](Cc1cccs1)Cc1ccc(C#N)cc1[O-] ZINC001233386284 777928369 /nfs/dbraw/zinc/92/83/69/777928369.db2.gz NNTOEQKMPFWMMG-UHFFFAOYSA-N 0 1 258.346 2.957 20 30 CFEDMN COc1cccc(C[N@@H+](C)Cc2ccc(C#N)cc2[O-])c1 ZINC001233385736 777928424 /nfs/dbraw/zinc/92/84/24/777928424.db2.gz RWJRXURVNMZUFC-UHFFFAOYSA-N 0 1 282.343 2.904 20 30 CFEDMN CC[N@H+](Cc1ccc(C#N)cc1[O-])Cc1ccccc1O ZINC001233386621 777928748 /nfs/dbraw/zinc/92/87/48/777928748.db2.gz BAKTVFYPYJWJJJ-UHFFFAOYSA-N 0 1 282.343 2.992 20 30 CFEDMN Cc1cc(C#N)cc(NS(=O)(=O)c2ccsc2)c1 ZINC000714358983 778005543 /nfs/dbraw/zinc/00/55/43/778005543.db2.gz HXCPUVWPQFSRKT-UHFFFAOYSA-N 0 1 278.358 2.729 20 30 CFEDMN C=CC(C)(C)C(=O)NC[C@H](NCc1cscn1)C(C)C ZINC001271879319 778008789 /nfs/dbraw/zinc/00/87/89/778008789.db2.gz ZFSKYCAARTXXHG-ZDUSSCGKSA-N 0 1 295.452 2.586 20 30 CFEDMN C=C1O[C@H](CC)C(=O)C1Oc1nnc(Cl)cc1OCC ZINC001233684537 778039498 /nfs/dbraw/zinc/03/94/98/778039498.db2.gz BOYYNOORWSVHNW-MRVPVSSYSA-N 0 1 298.726 2.517 20 30 CFEDMN C#CCN1CC[C@@H]2[C@H]1CCCN2C(=O)[C@H](CC)CCCC ZINC001272006119 778110995 /nfs/dbraw/zinc/11/09/95/778110995.db2.gz SUGQRAVVSSKZBP-BRWVUGGUSA-N 0 1 290.451 2.901 20 30 CFEDMN C=C(C)CN1CC[C@H](NC(=O)c2ccc(Cl)o2)[C@H]1C ZINC001088471206 778143287 /nfs/dbraw/zinc/14/32/87/778143287.db2.gz ZBMVLUGMXZVYLP-MNOVXSKESA-N 0 1 282.771 2.702 20 30 CFEDMN C=CCN1CC[C@@H]1CN(C)C(=O)CC1(C)CCCC1 ZINC001234078343 778159030 /nfs/dbraw/zinc/15/90/30/778159030.db2.gz NIKGXXSNEMEWDM-CQSZACIVSA-N 0 1 264.413 2.676 20 30 CFEDMN CC(C)C#CC(=O)N(C)C[C@@H]1CCN1[C@H](C)c1ccccc1 ZINC001234130919 778171585 /nfs/dbraw/zinc/17/15/85/778171585.db2.gz ORANDADHJRYGKX-AEFFLSMTSA-N 0 1 298.430 2.940 20 30 CFEDMN CN(C[C@@H]1CCN1CCCCCF)C(=O)C#CC(C)(C)C ZINC001234215875 778187547 /nfs/dbraw/zinc/18/75/47/778187547.db2.gz QEWVXDDVDQMMON-HNNXBMFYSA-N 0 1 296.430 2.708 20 30 CFEDMN C=C(C)CN1CC[C@H](NC(=O)c2ccoc2Cl)[C@H]1C ZINC001088542656 778209469 /nfs/dbraw/zinc/20/94/69/778209469.db2.gz PARDTBAVFKZPAJ-PWSUYJOCSA-N 0 1 282.771 2.702 20 30 CFEDMN C#CCN1CC[C@@H]2[C@@H]1CCCN2C(=O)[C@H](CC)CC(C)C ZINC001272042192 778215248 /nfs/dbraw/zinc/21/52/48/778215248.db2.gz BJXHCHICUZLQSJ-IXDOHACOSA-N 0 1 290.451 2.757 20 30 CFEDMN C=C1O[C@@H](CC)C(=O)C1Oc1ccc(F)c(C(=O)OC)c1 ZINC001229019667 778234861 /nfs/dbraw/zinc/23/48/61/778234861.db2.gz CWYLWJSZCJRZJZ-LBPRGKRZSA-N 0 1 294.278 2.601 20 30 CFEDMN C=C[C@@H](CC)Oc1[nH]c(=O)nc2cccc(C#N)c21 ZINC001234510504 778239522 /nfs/dbraw/zinc/23/95/22/778239522.db2.gz BGQOGZSXHAVFEG-JTQLQIEISA-N 0 1 255.277 2.550 20 30 CFEDMN N#Cc1ccc2nc(=O)[nH]c(O[C@H]3CCC(F)(F)C3)c2c1 ZINC001234520820 778242392 /nfs/dbraw/zinc/24/23/92/778242392.db2.gz YAFDRRTYYWACRJ-VIFPVBQESA-N 0 1 291.257 2.774 20 30 CFEDMN N#Cc1cccc(O[C@@H]2CN3CCC2CC3)c1Cl ZINC001229066330 778243865 /nfs/dbraw/zinc/24/38/65/778243865.db2.gz AEJKDKSNWMWMJD-CYBMUJFWSA-N 0 1 262.740 2.685 20 30 CFEDMN N#Cc1ccc2nc(=O)[nH]c(OCCOC3CCCC3)c2c1 ZINC001234531232 778245717 /nfs/dbraw/zinc/24/57/17/778245717.db2.gz WCYLRYSQQIAZRD-UHFFFAOYSA-N 0 1 299.330 2.545 20 30 CFEDMN C[C@@H](Oc1ccccc1C=NO)C(=O)OC(C)(C)C ZINC001234819770 778298902 /nfs/dbraw/zinc/29/89/02/778298902.db2.gz PANPMOAAPSHWDJ-SNVBAGLBSA-N 0 1 265.309 2.604 20 30 CFEDMN C=CCN1CC[C@H](NC(=O)c2ccc3occc3c2)[C@H]1C ZINC001088583341 778303302 /nfs/dbraw/zinc/30/33/02/778303302.db2.gz NYFGTKNXZXNMCN-DOMZBBRYSA-N 0 1 284.359 2.811 20 30 CFEDMN CC#CCN1CC[C@H](NC(=O)c2ccc3occc3c2)[C@H]1C ZINC001088584224 778303375 /nfs/dbraw/zinc/30/33/75/778303375.db2.gz JCRMGFFGYQBBHO-CJNGLKHVSA-N 0 1 296.370 2.649 20 30 CFEDMN CC#CCN1CC[C@H](NC(=O)[C@@H]2CCC(C)=C(C)C2)[C@H]1C ZINC001088586469 778305197 /nfs/dbraw/zinc/30/51/97/778305197.db2.gz VSNWHZZUQLAUCF-ZACQAIPSSA-N 0 1 288.435 2.725 20 30 CFEDMN N#C[C@@H]1CCCN1Cc1cc(Br)cc(F)c1O ZINC001235056562 778368971 /nfs/dbraw/zinc/36/89/71/778368971.db2.gz AZTVUIUFZPGOHW-JTQLQIEISA-N 0 1 299.143 2.782 20 30 CFEDMN CC#CCN(C)CCN(C)C(=O)C[C@@H]1CCCC[C@H]1C ZINC001272185549 778369931 /nfs/dbraw/zinc/36/99/31/778369931.db2.gz PAJIUCWBVYNFGM-CVEARBPZSA-N 0 1 278.440 2.616 20 30 CFEDMN C=CCOCc1cccc(NC2CN(C(C)C)C2)c1 ZINC001168316988 778428167 /nfs/dbraw/zinc/42/81/67/778428167.db2.gz CMDHSXQXESLACK-UHFFFAOYSA-N 0 1 260.381 2.894 20 30 CFEDMN CC1(C#N)CN(Cc2cc(F)cc(Br)c2O)C1 ZINC001235293794 778446785 /nfs/dbraw/zinc/44/67/85/778446785.db2.gz CBQQHDFTCUVOBP-UHFFFAOYSA-N 0 1 299.143 2.639 20 30 CFEDMN N#C[C@H]1CCN(Cc2cc(F)cc(Br)c2O)C1 ZINC001235303229 778450312 /nfs/dbraw/zinc/45/03/12/778450312.db2.gz MFZMBPDPZWMOMC-MRVPVSSYSA-N 0 1 299.143 2.639 20 30 CFEDMN C=CCCC(=O)NCCCN(C)Cc1cccc(F)c1F ZINC001235436761 778490857 /nfs/dbraw/zinc/49/08/57/778490857.db2.gz SGPNZJULUBJMKZ-UHFFFAOYSA-N 0 1 296.361 2.869 20 30 CFEDMN C=C(Cl)CN[C@H]1CCCN(C(=O)[C@@]23C[C@@H]2CCCC3)C1 ZINC001030021151 778496216 /nfs/dbraw/zinc/49/62/16/778496216.db2.gz GNMYBHQTABAXFA-DZKIICNBSA-N 0 1 296.842 2.900 20 30 CFEDMN COc1cncc(CN2[C@@H]3CC[C@H]2C[C@H](C#N)C3)c1C ZINC001235464838 778498857 /nfs/dbraw/zinc/49/88/57/778498857.db2.gz OTPWNEKBMGUDKB-XMQYKBBCSA-N 0 1 271.364 2.665 20 30 CFEDMN C[C@@H]1C[N@@H+](Cc2ccccc2CC#N)CCCC1=O ZINC001235511665 778509363 /nfs/dbraw/zinc/50/93/63/778509363.db2.gz LHKDXUXUPPNTIA-CYBMUJFWSA-N 0 1 256.349 2.554 20 30 CFEDMN C[C@@H]1CN(Cc2ccccc2CC#N)CCCC1=O ZINC001235511665 778509367 /nfs/dbraw/zinc/50/93/67/778509367.db2.gz LHKDXUXUPPNTIA-CYBMUJFWSA-N 0 1 256.349 2.554 20 30 CFEDMN CCCNC(=O)[C@@H]1CCCCN1Cc1ccccc1CC#N ZINC001235522343 778510040 /nfs/dbraw/zinc/51/00/40/778510040.db2.gz DGUZFAQMPLPRPU-KRWDZBQOSA-N 0 1 299.418 2.633 20 30 CFEDMN CC(C)[C@H]1CN(Cc2ccccc2CC#N)CCO1 ZINC001235524936 778511561 /nfs/dbraw/zinc/51/15/61/778511561.db2.gz IGUOWLDHKBRXKI-MRXNPFEDSA-N 0 1 258.365 2.609 20 30 CFEDMN CC(C)[C@@H]1CN(Cc2ccccc2CC#N)CCO1 ZINC001235524933 778511944 /nfs/dbraw/zinc/51/19/44/778511944.db2.gz IGUOWLDHKBRXKI-INIZCTEOSA-N 0 1 258.365 2.609 20 30 CFEDMN C=CCN1CC[C@@H]1CN(C)C(=O)CCCc1ccsc1 ZINC001235616373 778523404 /nfs/dbraw/zinc/52/34/04/778523404.db2.gz KIGQZXUYKZXKGH-OAHLLOKOSA-N 0 1 292.448 2.790 20 30 CFEDMN C=C(C)C[N@H+]1C[C@@H]2CCN(C(=O)[C@@H]3CCC(C)(C)C3)[C@@H]2C1 ZINC001076220618 778577568 /nfs/dbraw/zinc/57/75/68/778577568.db2.gz KHXRWLQGFHEOJB-OWCLPIDISA-N 0 1 290.451 2.922 20 30 CFEDMN C=CC[N@@H+]1C[C@@H]2CCN(C(=O)[C@H](C)c3cccc(C)c3)[C@@H]2C1 ZINC001076299786 778582314 /nfs/dbraw/zinc/58/23/14/778582314.db2.gz LXUUOGLARQTXTR-BPQIPLTHSA-N 0 1 298.430 2.817 20 30 CFEDMN C=CCN1C[C@@H]2CCN(C(=O)c3cc(C)c(C)s3)[C@@H]2C1 ZINC001076546738 778596684 /nfs/dbraw/zinc/59/66/84/778596684.db2.gz PDWWRGRXWSCNHT-UONOGXRCSA-N 0 1 290.432 2.697 20 30 CFEDMN C=C(C)CN1CC[C@H](NC(=O)c2occc2CC)[C@H]1C ZINC001088837944 778634334 /nfs/dbraw/zinc/63/43/34/778634334.db2.gz JEPXIAIDYXJUDM-OCCSQVGLSA-N 0 1 276.380 2.611 20 30 CFEDMN N#CCc1ccc(-c2c(F)cc(F)c(O)c2F)nc1 ZINC001235985034 778639620 /nfs/dbraw/zinc/63/96/20/778639620.db2.gz IHLFAAOIWUCZMI-UHFFFAOYSA-N 0 1 264.206 2.938 20 30 CFEDMN N#Cc1ccc([O-])c(CN([C@H]2CC[NH2+]C2)C2CCCCC2)c1 ZINC001236655363 778905732 /nfs/dbraw/zinc/90/57/32/778905732.db2.gz XFCXSFAPLACILM-KRWDZBQOSA-N 0 1 299.418 2.760 20 30 CFEDMN C=CCN(C)Cc1ccc(Br)c(O)c1 ZINC001236686703 778910154 /nfs/dbraw/zinc/91/01/54/778910154.db2.gz FPVZZTFHFCSUDF-UHFFFAOYSA-N 0 1 256.143 2.773 20 30 CFEDMN C[C@]1(CF)CC(F)(F)CN1Cc1cc(C#N)ccc1O ZINC001232674351 778962395 /nfs/dbraw/zinc/96/23/95/778962395.db2.gz XTJURGYWRQSSFK-CYBMUJFWSA-N 0 1 284.281 2.833 20 30 CFEDMN C=CCN1CC[C@H](NC(=O)c2cc3ccccc3o2)[C@H]1C ZINC001089021570 778977301 /nfs/dbraw/zinc/97/73/01/778977301.db2.gz WQNPPFCAGXZQMO-OCCSQVGLSA-N 0 1 284.359 2.811 20 30 CFEDMN CC#CCN1CC[C@H](NC(=O)[C@@]2(C)CC=C(C)CC2)[C@H]1C ZINC001089055065 778982942 /nfs/dbraw/zinc/98/29/42/778982942.db2.gz UBZDUPKESMOQAD-RYRKJORJSA-N 0 1 288.435 2.725 20 30 CFEDMN C=CCC[C@@H]1CCCN1C(=O)c1ccc2[nH]nnc2c1 ZINC001120813460 778983451 /nfs/dbraw/zinc/98/34/51/778983451.db2.gz DWMLLOKEVDYGQI-GFCCVEGCSA-N 0 1 270.336 2.529 20 30 CFEDMN CCOC(=O)[C@@]1(C)CCCN(Cc2ccc(C#N)s2)C1 ZINC001232847145 778983752 /nfs/dbraw/zinc/98/37/52/778983752.db2.gz SDCNTFFIXRKNCX-HNNXBMFYSA-N 0 1 292.404 2.785 20 30 CFEDMN C=CCN1CC[C@H](NC(=O)C2(c3ccccc3C)CC2)[C@H]1C ZINC001089077287 778989801 /nfs/dbraw/zinc/98/98/01/778989801.db2.gz YRQVNGPUCKVZJJ-WBVHZDCISA-N 0 1 298.430 2.792 20 30 CFEDMN CCCCCCC/C=C/CN1CC2(C[C@H]2C(N)=O)C1 ZINC001278037290 778990474 /nfs/dbraw/zinc/99/04/74/778990474.db2.gz NKMGGUPYLWZLAL-VFNNOXKTSA-N 0 1 264.413 2.710 20 30 CFEDMN C=C1CC(C)(C(=O)NC2CN(CC3CC4(CCC4)C3)C2)C1 ZINC001030924409 779104873 /nfs/dbraw/zinc/10/48/73/779104873.db2.gz QDYABHXJQIMNQZ-UHFFFAOYSA-N 0 1 288.435 2.723 20 30 CFEDMN N#C[C@@H]1CN(Cc2cccc3c(F)cccc23)CCC1=O ZINC001237515773 779124493 /nfs/dbraw/zinc/12/44/93/779124493.db2.gz OYYRJEHTOSCIAW-CYBMUJFWSA-N 0 1 282.318 2.893 20 30 CFEDMN C[C@@H]1C[C@@H]1C(=O)C(C#N)C(=O)Nc1ccc(F)c(Cl)c1 ZINC000130200600 779147880 /nfs/dbraw/zinc/14/78/80/779147880.db2.gz OKIHUWPUQRSOLE-FKTZTGRPSA-N 0 1 294.713 2.782 20 30 CFEDMN C[C@H]1CCCN(Cc2cc(Cl)cc(C#N)c2)[C@H]1CO ZINC001237747586 779173099 /nfs/dbraw/zinc/17/30/99/779173099.db2.gz YEOAHDFPPOBMBH-NHYWBVRUSA-N 0 1 278.783 2.804 20 30 CFEDMN C[C@H]1CN(Cc2cc(Cl)cc(C#N)c2)CC[C@]1(C)O ZINC001237746351 779173597 /nfs/dbraw/zinc/17/35/97/779173597.db2.gz LPEBXKMFDLADLU-NHYWBVRUSA-N 0 1 278.783 2.804 20 30 CFEDMN C#C[C@@H]1CCCN(Cc2cc(C3CC3)cnc2OC)C1 ZINC001238027428 779236822 /nfs/dbraw/zinc/23/68/22/779236822.db2.gz AXBVFSQZJOXXDU-CYBMUJFWSA-N 0 1 270.376 2.813 20 30 CFEDMN C#C[C@H](CC(C)C)Oc1nc(C)[nH]c(=O)c1Br ZINC001234568013 779245576 /nfs/dbraw/zinc/24/55/76/779245576.db2.gz KDKMJSFCLAFLNU-SECBINFHSA-N 0 1 299.168 2.680 20 30 CFEDMN N#Cc1ccc(CN2CCC[C@@](O)(CF)CC2)c(Cl)c1 ZINC001238080706 779248653 /nfs/dbraw/zinc/24/86/53/779248653.db2.gz VBMOSGFFIYBBQO-HNNXBMFYSA-N 0 1 296.773 2.898 20 30 CFEDMN C=C(C)CN1CC[C@]2(CCCN2Cc2ccc(C)o2)C1=O ZINC001272588313 779250936 /nfs/dbraw/zinc/25/09/36/779250936.db2.gz UDUYLRBFUSSVFN-QGZVFWFLSA-N 0 1 288.391 2.731 20 30 CFEDMN C[C@H]1CC[C@@H](CO)N1Cc1ccc(Cl)c(C#N)c1 ZINC001238188706 779273576 /nfs/dbraw/zinc/27/35/76/779273576.db2.gz HNAHLKBRMRGAEF-GWCFXTLKSA-N 0 1 264.756 2.557 20 30 CFEDMN C[C@@H]1CN(Cc2ccc(Cl)c(C#N)c2)CCC[C@@H]1O ZINC001238189781 779274734 /nfs/dbraw/zinc/27/47/34/779274734.db2.gz WMJQZRUZMHJWHI-ABAIWWIYSA-N 0 1 278.783 2.804 20 30 CFEDMN C=CCCC(=O)NCCCN(C)Cc1cc(F)ccc1F ZINC001235480942 779357929 /nfs/dbraw/zinc/35/79/29/779357929.db2.gz PYRYLERWFGOHMH-UHFFFAOYSA-N 0 1 296.361 2.869 20 30 CFEDMN CCCCCCCCNC(=O)N1CCNC[C@H]1C(C)C ZINC001239283314 779501162 /nfs/dbraw/zinc/50/11/62/779501162.db2.gz LLYFQTGIFFZPNB-HNNXBMFYSA-N 0 1 283.460 2.986 20 30 CFEDMN CCCCCCCOC(=O)N1CC[C@@H](N)C(F)(F)C1 ZINC001239334138 779524202 /nfs/dbraw/zinc/52/42/02/779524202.db2.gz CQOHGFJQKYLCEZ-LLVKDONJSA-N 0 1 278.343 2.762 20 30 CFEDMN C=CCN1CC(CNC(=O)c2cscc2C(F)F)C1 ZINC001031675230 779525410 /nfs/dbraw/zinc/52/54/10/779525410.db2.gz ZSRJRWTUPJKEKX-UHFFFAOYSA-N 0 1 286.347 2.533 20 30 CFEDMN C#CCN1CC(C)(C)CC[C@H]1CNC(=O)c1cccc(C)c1 ZINC001089600169 779537653 /nfs/dbraw/zinc/53/76/53/779537653.db2.gz BQONRZDRRUOUHT-KRWDZBQOSA-N 0 1 298.430 2.849 20 30 CFEDMN C=CCN1CC(CNC(=O)[C@H]2CC[C@H](C3CCC3)CC2)C1 ZINC001031739704 779560232 /nfs/dbraw/zinc/56/02/32/779560232.db2.gz AJWZOSHCUUCYJP-QAQDUYKDSA-N 0 1 290.451 2.827 20 30 CFEDMN C=C(C)CN1CC(CNC(=O)c2cc(C)sc2C)C1 ZINC001031822512 779627507 /nfs/dbraw/zinc/62/75/07/779627507.db2.gz OHSDAMSBNXGHPO-UHFFFAOYSA-N 0 1 278.421 2.603 20 30 CFEDMN COc1ccc(-c2cc3[nH]cnc3c(C#N)n2)cc1F ZINC001239576492 779638466 /nfs/dbraw/zinc/63/84/66/779638466.db2.gz KXTDVQVUFGHUNG-UHFFFAOYSA-N 0 1 268.251 2.644 20 30 CFEDMN N#Cc1cc(Nc2ccc(F)c(N)c2)c(O)cc1F ZINC001212345221 779640011 /nfs/dbraw/zinc/64/00/11/779640011.db2.gz HCLMZLHCQMLGHW-UHFFFAOYSA-N 0 1 261.231 2.868 20 30 CFEDMN C=C(C)CN1CC(CNC(=O)c2cc(F)ccc2Cl)C1 ZINC001032003322 779704694 /nfs/dbraw/zinc/70/46/94/779704694.db2.gz RGFPWBZPISHBKK-UHFFFAOYSA-N 0 1 296.773 2.717 20 30 CFEDMN C=C(C)CN1CC[C@]2(CCCN2Cc2ccncc2C)C1=O ZINC001272716904 779714720 /nfs/dbraw/zinc/71/47/20/779714720.db2.gz MEXNOEJCQWVMRF-GOSISDBHSA-N 0 1 299.418 2.533 20 30 CFEDMN C=CCN1CC(CNC(=O)c2cccc(C(C)C)c2)C1 ZINC001032102830 779736877 /nfs/dbraw/zinc/73/68/77/779736877.db2.gz HUCSUJQCNMLFQJ-UHFFFAOYSA-N 0 1 272.392 2.658 20 30 CFEDMN C[C@@H]1CCN(Cc2ccc(C#N)cc2Cl)CC[C@H]1O ZINC001238080603 779739995 /nfs/dbraw/zinc/73/99/95/779739995.db2.gz SSIMNUAMEYDOAF-IAQYHMDHSA-N 0 1 278.783 2.804 20 30 CFEDMN C=C(C)CN1CC(CNC(=O)c2ccc(C3CC3)s2)C1 ZINC001032127100 779743795 /nfs/dbraw/zinc/74/37/95/779743795.db2.gz VQYAGMMTBZDNIV-UHFFFAOYSA-N 0 1 290.432 2.863 20 30 CFEDMN C=CCN1CC(CNC(=O)c2ccc(Cl)c(Cl)c2)C1 ZINC001032147154 779747253 /nfs/dbraw/zinc/74/72/53/779747253.db2.gz VDGRXJHUGQNBGK-UHFFFAOYSA-N 0 1 299.201 2.841 20 30 CFEDMN C=CCN1CC(CNC(=O)c2sccc2C(F)F)C1 ZINC001032157871 779749886 /nfs/dbraw/zinc/74/98/86/779749886.db2.gz BBDZEDRTCXJXBC-UHFFFAOYSA-N 0 1 286.347 2.533 20 30 CFEDMN COc1ccc(C)cc1-c1cc2[nH]cnc2c(C#N)n1 ZINC001239765204 779757261 /nfs/dbraw/zinc/75/72/61/779757261.db2.gz YNCNPTLEXILRDW-UHFFFAOYSA-N 0 1 264.288 2.814 20 30 CFEDMN C[C@@H]1CN(Cc2ccc(Cl)c(C#N)c2)CC[C@@]1(C)O ZINC001238188580 779760627 /nfs/dbraw/zinc/76/06/27/779760627.db2.gz FZNAMNFEMSQAOM-IAQYHMDHSA-N 0 1 278.783 2.804 20 30 CFEDMN N#Cc1cc(CN2CC[C@@H]3OCC[C@H]3C2)ccc1Cl ZINC001238198566 779761574 /nfs/dbraw/zinc/76/15/74/779761574.db2.gz LLNFPTBRTMEQFC-WFASDCNBSA-N 0 1 276.767 2.822 20 30 CFEDMN C=C(C)CN1CC(CNC(=O)[C@H]2C[C@H](C)C[C@H](C)C2)C1 ZINC001032210196 779766010 /nfs/dbraw/zinc/76/60/10/779766010.db2.gz APJTXLUBZQRAIY-FOLVSLTJSA-N 0 1 278.440 2.683 20 30 CFEDMN C=C(C)CN1CC(CNC(=O)C2CC(C(C)(C)C)C2)C1 ZINC001032219430 779773778 /nfs/dbraw/zinc/77/37/78/779773778.db2.gz ZGVLUQJPTJWHJN-UHFFFAOYSA-N 0 1 278.440 2.683 20 30 CFEDMN C=C(C)CN1C[C@@H]2C[C@H]1CN2C(=O)CC1CCCCC1 ZINC001032266156 779801766 /nfs/dbraw/zinc/80/17/66/779801766.db2.gz KTZZRVHJECVZCX-HOTGVXAUSA-N 0 1 276.424 2.818 20 30 CFEDMN CN(C)c1ccnc(-c2cc(F)c(C#N)c(F)c2)c1 ZINC001239912744 779856061 /nfs/dbraw/zinc/85/60/61/779856061.db2.gz HCEQZDSJRZQLOX-UHFFFAOYSA-N 0 1 259.259 2.964 20 30 CFEDMN COCc1ccccc1-c1cc2[nH]cnc2c(C#N)n1 ZINC001239949843 779879864 /nfs/dbraw/zinc/87/98/64/779879864.db2.gz JUCOURICAUXKLW-UHFFFAOYSA-N 0 1 264.288 2.643 20 30 CFEDMN C=C(C)CCN1C[C@@H]2C[C@H]1CN2C(=O)c1c(C)coc1C ZINC001032385004 779915891 /nfs/dbraw/zinc/91/58/91/779915891.db2.gz AYDNRJPLPXBLKZ-GJZGRUSLSA-N 0 1 288.391 2.761 20 30 CFEDMN ON=Cc1cc(-c2cn[nH]c2)cc(C(F)(F)F)c1 ZINC001240241397 780023565 /nfs/dbraw/zinc/02/35/65/780023565.db2.gz MQSJSVNMKMRAJZ-HAVNEIBRSA-N 0 1 255.199 2.904 20 30 CFEDMN O/N=C/c1cc(-c2cn[nH]c2)cc(C(F)(F)F)c1 ZINC001240241397 780023570 /nfs/dbraw/zinc/02/35/70/780023570.db2.gz MQSJSVNMKMRAJZ-HAVNEIBRSA-N 0 1 255.199 2.904 20 30 CFEDMN C=C(C)CN1C[C@@H]2C[C@H]1CN2C(=O)[C@H]1CCCC1(C)C ZINC001032573725 780046189 /nfs/dbraw/zinc/04/61/89/780046189.db2.gz QWAHGUVPZQCHFT-SOUVJXGZSA-N 0 1 276.424 2.674 20 30 CFEDMN C=C(C)CN1C[C@@H]2C[C@H]1CN2C(=O)c1cc[nH]c1C(C)C ZINC001032579766 780049302 /nfs/dbraw/zinc/04/93/02/780049302.db2.gz MLSBBMZOXDUTSU-KBPBESRZSA-N 0 1 287.407 2.613 20 30 CFEDMN C#CCCN1C[C@@H]2C[C@H]1CN2C(=O)c1ccc(CCC)cc1 ZINC001032594789 780060027 /nfs/dbraw/zinc/06/00/27/780060027.db2.gz QQKXMFZUSZVMTG-ROUUACIJSA-N 0 1 296.414 2.561 20 30 CFEDMN C=C(C)CN1C[C@@H]2C[C@H]1CN2C(=O)[C@@H](C)c1cccc(C)c1 ZINC001032654013 780116374 /nfs/dbraw/zinc/11/63/74/780116374.db2.gz MEYCAMWEFARTAF-SZMVWBNQSA-N 0 1 298.430 2.960 20 30 CFEDMN C=CCCN1C[C@@H]2C[C@H]1CN2C(=O)c1cc2ccccc2o1 ZINC001032765314 780199327 /nfs/dbraw/zinc/19/93/27/780199327.db2.gz IBVBFZBCSMPPAN-GJZGRUSLSA-N 0 1 296.370 2.908 20 30 CFEDMN C#CCCN1C[C@@H]2C[C@H]1CN2C(=O)c1c(C)cc(C)cc1C ZINC001032770637 780205028 /nfs/dbraw/zinc/20/50/28/780205028.db2.gz HDCYVPDBRLWRFK-IRXDYDNUSA-N 0 1 296.414 2.534 20 30 CFEDMN Cc1ccc(-c2nc(C=NNc3ccn(C)n3)co2)cc1 ZINC001116759809 780231804 /nfs/dbraw/zinc/23/18/04/780231804.db2.gz PPLHFRCFMZCKTN-UHFFFAOYSA-N 0 1 281.319 2.830 20 30 CFEDMN COC(OC)c1c(C#N)ccnc1-c1cc(F)ccc1O ZINC001240694195 780363628 /nfs/dbraw/zinc/36/36/28/780363628.db2.gz QBQGQKFBSATUEC-UHFFFAOYSA-N 0 1 288.278 2.756 20 30 CFEDMN COCOc1cc(C)ccc1-c1cc2[nH]cnc2c(C#N)n1 ZINC001240737401 780403959 /nfs/dbraw/zinc/40/39/59/780403959.db2.gz PEKGDRCWXUVGSP-UHFFFAOYSA-N 0 1 294.314 2.788 20 30 CFEDMN CN1CCN(c2ccc(-c3ncc(F)cc3C#N)cc2)CC1 ZINC001240850037 780476425 /nfs/dbraw/zinc/47/64/25/780476425.db2.gz XDVHYQMOENDEND-UHFFFAOYSA-N 0 1 296.349 2.511 20 30 CFEDMN CC#CC[N@H+]1CC[C@@H](N(C)C(=O)c2ccccc2C(C)C)C1 ZINC001033132322 780577363 /nfs/dbraw/zinc/57/73/63/780577363.db2.gz SJKFERIETYOEAN-MRXNPFEDSA-N 0 1 298.430 2.980 20 30 CFEDMN CC#CCN1CC[C@@H](N(C)C(=O)c2ccccc2C(C)C)C1 ZINC001033132322 780577369 /nfs/dbraw/zinc/57/73/69/780577369.db2.gz SJKFERIETYOEAN-MRXNPFEDSA-N 0 1 298.430 2.980 20 30 CFEDMN C=CCN1CC[C@H](N(C)C(=O)c2ccc3cc(C)cn3c2)C1 ZINC001033135676 780577788 /nfs/dbraw/zinc/57/77/88/780577788.db2.gz IYRWWBUGGRURDZ-KRWDZBQOSA-N 0 1 297.402 2.580 20 30 CFEDMN COc1cc(F)cc(-c2cc3[nH]cnc3c(C#N)n2)c1 ZINC001241026091 780600053 /nfs/dbraw/zinc/60/00/53/780600053.db2.gz JUTYVWLMKWAGCN-UHFFFAOYSA-N 0 1 268.251 2.644 20 30 CFEDMN C=C(C)C[N@@H+]1CC[C@H](N(C)C(=O)[C@@H](C)C2CCC2)C1 ZINC001033183617 780607824 /nfs/dbraw/zinc/60/78/24/780607824.db2.gz AAQOQALBQDSHSA-ZFWWWQNUSA-N 0 1 264.413 2.531 20 30 CFEDMN N#Cc1nc(-c2c(F)ccc(F)c2F)cc2nc[nH]c21 ZINC001241046312 780612469 /nfs/dbraw/zinc/61/24/69/780612469.db2.gz RZPNFGFJPHDCEN-UHFFFAOYSA-N 0 1 274.205 2.914 20 30 CFEDMN C=CCN1CC[C@@H](N(C)C(=O)c2cc(F)ccc2CC)C1 ZINC001033225007 780623040 /nfs/dbraw/zinc/62/30/40/780623040.db2.gz BQQKCJQFLLLMOZ-OAHLLOKOSA-N 0 1 290.382 2.720 20 30 CFEDMN C=CCN1CC[C@@H](N(C)C(=O)[C@H]2CC[C@@H]3C[C@@H]3CC2)C1 ZINC001033293577 780643318 /nfs/dbraw/zinc/64/33/18/780643318.db2.gz YOHOQBFCMMEXFV-QKPAOTATSA-N 0 1 276.424 2.531 20 30 CFEDMN N#CC1(C(=O)N2CCC(c3n[nH]c4ccccc43)CC2)CC1 ZINC001143176449 780657748 /nfs/dbraw/zinc/65/77/48/780657748.db2.gz FEXQNKZXJVVDQT-UHFFFAOYSA-N 0 1 294.358 2.573 20 30 CFEDMN C=CCN1CC[C@H](N(C)C(=O)c2ccc(F)c(Cl)c2)C1 ZINC001033385187 780672332 /nfs/dbraw/zinc/67/23/32/780672332.db2.gz UXDXMRXNLVYVNL-LBPRGKRZSA-N 0 1 296.773 2.811 20 30 CFEDMN C=CCN1CC[C@@H](N(C)C(=O)C2(C)CCCCC2)C1 ZINC001033385326 780673907 /nfs/dbraw/zinc/67/39/07/780673907.db2.gz RKPSLAZDUKPVBE-CQSZACIVSA-N 0 1 264.413 2.676 20 30 CFEDMN C=CCN1CC[C@@H](N(C)C(=O)c2ccc(C)c(F)c2F)C1 ZINC001033439866 780682202 /nfs/dbraw/zinc/68/22/02/780682202.db2.gz BKINTPIKOMNPFN-GFCCVEGCSA-N 0 1 294.345 2.606 20 30 CFEDMN C=C(C)C[N@@H+]1CC[C@H](N(C)C(=O)[C@@H]2C[C@H]2C2CCC2)C1 ZINC001033489587 780696011 /nfs/dbraw/zinc/69/60/11/780696011.db2.gz IVPDOJROMBZFBD-HRCADAONSA-N 0 1 276.424 2.531 20 30 CFEDMN C=CC[N@@H+]1CC[C@H](N(C)C(=O)c2ccc3cccnc3c2)C1 ZINC001033510417 780701431 /nfs/dbraw/zinc/70/14/31/780701431.db2.gz ZNVDMEGMMCUVNY-INIZCTEOSA-N 0 1 295.386 2.567 20 30 CFEDMN C=CCN1CC[C@H](N(C)C(=O)c2ccc3cccnc3c2)C1 ZINC001033510417 780701434 /nfs/dbraw/zinc/70/14/34/780701434.db2.gz ZNVDMEGMMCUVNY-INIZCTEOSA-N 0 1 295.386 2.567 20 30 CFEDMN C=CCN1CC[C@@H](N(C)C(=O)c2cc(CC(C)C)c[nH]2)C1 ZINC001033585414 780722777 /nfs/dbraw/zinc/72/27/77/780722777.db2.gz IMIKIRGPSDQMDX-OAHLLOKOSA-N 0 1 289.423 2.546 20 30 CFEDMN C=CCN1CC[C@H](N(C)C(=O)c2cc(CC(C)C)c[nH]2)C1 ZINC001033585413 780723297 /nfs/dbraw/zinc/72/32/97/780723297.db2.gz IMIKIRGPSDQMDX-HNNXBMFYSA-N 0 1 289.423 2.546 20 30 CFEDMN CN(C(=O)C(C)(C)C)[C@H]1CCN(Cc2cccc(C#N)c2)C1 ZINC001033601742 780724419 /nfs/dbraw/zinc/72/44/19/780724419.db2.gz BYCFYSYZILPIMP-INIZCTEOSA-N 0 1 299.418 2.637 20 30 CFEDMN CC#CCN1CC[C@@H](N(C)C(=O)[C@H](C)c2ccccc2C)C1 ZINC001033677917 780746724 /nfs/dbraw/zinc/74/67/24/780746724.db2.gz FFMCXNMZYAXPNV-IAGOWNOFSA-N 0 1 298.430 2.655 20 30 CFEDMN C=CCN1CC[C@H](N(C)C(=O)[C@@H]2CCCCC2(C)C)C1 ZINC001033690381 780753978 /nfs/dbraw/zinc/75/39/78/780753978.db2.gz JAVAPUKFLLOXQF-GJZGRUSLSA-N 0 1 278.440 2.922 20 30 CFEDMN C#CCN1CC[C@H](N(C)C(=O)c2ccc([C@H](C)CC)cc2)C1 ZINC001033690135 780754734 /nfs/dbraw/zinc/75/47/34/780754734.db2.gz QHCWLUUTOBPVNL-QAPCUYQASA-N 0 1 298.430 2.980 20 30 CFEDMN N#Cc1ccnc(-c2c(F)ccc(O)c2F)c1F ZINC001241291895 780763370 /nfs/dbraw/zinc/76/33/70/780763370.db2.gz WKHPMTDRRKKCSX-UHFFFAOYSA-N 0 1 250.179 2.743 20 30 CFEDMN C=CCN1CC[C@H](N(CC)C(=O)c2cccc(F)c2)C1 ZINC001033732775 780767732 /nfs/dbraw/zinc/76/77/32/780767732.db2.gz MKKOBHALKJCTSY-HNNXBMFYSA-N 0 1 276.355 2.548 20 30 CFEDMN C#CCCN1CC[C@H](N(CC)C(=O)c2ccc(C)s2)C1 ZINC001033733929 780768106 /nfs/dbraw/zinc/76/81/06/780768106.db2.gz LELBGRXFQKRAAF-AWEZNQCLSA-N 0 1 290.432 2.616 20 30 CFEDMN CC#CCN1CC[C@H](N(CC)C(=O)c2cccc(C)c2)C1 ZINC001033737399 780769087 /nfs/dbraw/zinc/76/90/87/780769087.db2.gz OKYJELGVLIZSPC-KRWDZBQOSA-N 0 1 284.403 2.555 20 30 CFEDMN C=CC[N@@H+]1CC[C@H](N(CC)C(=O)c2cc(C)oc2C)C1 ZINC001033751130 780778048 /nfs/dbraw/zinc/77/80/48/780778048.db2.gz ZFNJAVICEPGEEQ-AWEZNQCLSA-N 0 1 276.380 2.619 20 30 CFEDMN C=CCN1CC[C@H](N(CC)C(=O)c2cc(C)oc2C)C1 ZINC001033751130 780778050 /nfs/dbraw/zinc/77/80/50/780778050.db2.gz ZFNJAVICEPGEEQ-AWEZNQCLSA-N 0 1 276.380 2.619 20 30 CFEDMN C=C(C)CN1CC[C@@H](N(CC)C(=O)c2csnc2C)C1 ZINC001033800891 780788907 /nfs/dbraw/zinc/78/89/07/780788907.db2.gz BNOJBYBEGLHLQU-CYBMUJFWSA-N 0 1 293.436 2.564 20 30 CFEDMN C=CCN1CC[C@@H](N(CC)C(=O)c2ccsc2C)C1 ZINC001033830066 780801584 /nfs/dbraw/zinc/80/15/84/780801584.db2.gz NIOXDDMDXIKROU-CYBMUJFWSA-N 0 1 278.421 2.779 20 30 CFEDMN C=CCN1CC[C@@H](N(CC)C(=O)C2CCC(=C)CC2)C1 ZINC001033943721 780837999 /nfs/dbraw/zinc/83/79/99/780837999.db2.gz BJFZDSBKRDPTBI-MRXNPFEDSA-N 0 1 276.424 2.842 20 30 CFEDMN C=CC[N@@H+]1CC[C@@H](N(CC)C(=O)c2ccc(C)cc2F)C1 ZINC001033972061 780843208 /nfs/dbraw/zinc/84/32/08/780843208.db2.gz KSWXSBCVSPTTJT-CQSZACIVSA-N 0 1 290.382 2.857 20 30 CFEDMN C=CCN1CC[C@@H](N(CC)C(=O)c2ccc(C)cc2F)C1 ZINC001033972061 780843217 /nfs/dbraw/zinc/84/32/17/780843217.db2.gz KSWXSBCVSPTTJT-CQSZACIVSA-N 0 1 290.382 2.857 20 30 CFEDMN Cc1ccc(CNCc2ccc(C)c(C#N)c2)cn1 ZINC000701822819 780843541 /nfs/dbraw/zinc/84/35/41/780843541.db2.gz IQIMAFWMSITROU-UHFFFAOYSA-N 0 1 251.333 2.860 20 30 CFEDMN C=CCN1CC[C@H](N(CC)C(=O)c2cccc3cc[nH]c32)C1 ZINC001033961966 780845425 /nfs/dbraw/zinc/84/54/25/780845425.db2.gz AICKDUMOBGBYLU-HNNXBMFYSA-N 0 1 297.402 2.890 20 30 CFEDMN CC#CCN1CC[C@H](N(CC)C(=O)[C@@H]2C[C@H]2CC(C)C)C1 ZINC001033961656 780846176 /nfs/dbraw/zinc/84/61/76/780846176.db2.gz WTMFLQMHURBHCV-IXDOHACOSA-N 0 1 290.451 2.615 20 30 CFEDMN C=CCC[N@@H+]1CC[C@H](N(CC)C(=O)c2ccc(F)s2)C1 ZINC001034055326 780864933 /nfs/dbraw/zinc/86/49/33/780864933.db2.gz RSJDFMRPCZGBRB-LBPRGKRZSA-N 0 1 296.411 3.000 20 30 CFEDMN C=CCN1CC[C@H](N(CC)C(=O)[C@@H]2CC3CCC2CC3)C1 ZINC001034047948 780867009 /nfs/dbraw/zinc/86/70/09/780867009.db2.gz UCUMNXHHKCISMZ-SJJHQCBESA-N 0 1 290.451 2.922 20 30 CFEDMN Cn1ncc2cc(-c3nccc4[nH]cc(C#N)c43)ccc21 ZINC001241436734 780883151 /nfs/dbraw/zinc/88/31/51/780883151.db2.gz VWXFPNNMFZNEMI-UHFFFAOYSA-N 0 1 273.299 2.988 20 30 CFEDMN CC#CCN1CCCC[C@H](NC(=O)c2cc(C)oc2C)C1 ZINC001034102178 780887600 /nfs/dbraw/zinc/88/76/00/780887600.db2.gz OUMHWNCQSQYOAA-HNNXBMFYSA-N 0 1 288.391 2.504 20 30 CFEDMN CC#CCN1CCCC[C@@H](NC(=O)CC2CCCC2)C1 ZINC001034093964 780889063 /nfs/dbraw/zinc/88/90/63/780889063.db2.gz YBEYCJRPCADYDF-MRXNPFEDSA-N 0 1 276.424 2.561 20 30 CFEDMN C=C(C)CN1CCCC[C@H](NC(=O)c2scnc2C)C1 ZINC001034119536 780896958 /nfs/dbraw/zinc/89/69/58/780896958.db2.gz ADPSTUFQFWQQCK-ZDUSSCGKSA-N 0 1 293.436 2.612 20 30 CFEDMN C#C[C@@H](NCc1nn(C)c2ccccc12)C(C)(C)C ZINC000702314354 780905350 /nfs/dbraw/zinc/90/53/50/780905350.db2.gz LGGBFACRIQBUEO-OAHLLOKOSA-N 0 1 255.365 2.711 20 30 CFEDMN CC#CCN1CCCC[C@H](NC(=O)C(F)=C2CCCC2)C1 ZINC001034163074 780914171 /nfs/dbraw/zinc/91/41/71/780914171.db2.gz XMFGLVDQCHJTHV-HNNXBMFYSA-N 0 1 292.398 2.778 20 30 CFEDMN CC#CCN1CCCC[C@H](NC(=O)c2c(C)coc2C)C1 ZINC001034202011 780922697 /nfs/dbraw/zinc/92/26/97/780922697.db2.gz ONYZPSSUBZOQJK-HNNXBMFYSA-N 0 1 288.391 2.504 20 30 CFEDMN Cc1c2c[nH]nc2ccc1-c1cc2[nH]cnc2c(C#N)n1 ZINC001241471511 780923816 /nfs/dbraw/zinc/92/38/16/780923816.db2.gz AOXYWJFWRNSDFM-UHFFFAOYSA-N 0 1 274.287 2.681 20 30 CFEDMN C#CCN1CCCC[C@H](NC(=O)c2cc(C)sc2C)C1 ZINC001034301510 780941593 /nfs/dbraw/zinc/94/15/93/780941593.db2.gz MRCUWMATDKEHLJ-AWEZNQCLSA-N 0 1 290.432 2.582 20 30 CFEDMN C=CCN1CCCC[C@H](NC(=O)c2cc(C(C)C)on2)C1 ZINC001034326841 780946123 /nfs/dbraw/zinc/94/61/23/780946123.db2.gz BMEWFLOGEPNILM-ZDUSSCGKSA-N 0 1 291.395 2.568 20 30 CFEDMN CC#CCN1CCCC[C@H](NC(=O)CC2CC(C)(C)C2)C1 ZINC001034361945 780958127 /nfs/dbraw/zinc/95/81/27/780958127.db2.gz VLLBQDWLLHSJPZ-INIZCTEOSA-N 0 1 290.451 2.807 20 30 CFEDMN C=CC[N@@H+]1CCCC[C@H](NC(=O)C2CCC(F)CC2)C1 ZINC001034378505 780960705 /nfs/dbraw/zinc/96/07/05/780960705.db2.gz UCJLVWOULSULKD-NRXISQOPSA-N 0 1 282.403 2.671 20 30 CFEDMN C#CCN1CCCC[C@H](NC(=O)c2ccsc2Cl)C1 ZINC001034431907 780974751 /nfs/dbraw/zinc/97/47/51/780974751.db2.gz PZWHZIYKLLXSAO-NSHDSACASA-N 0 1 296.823 2.619 20 30 CFEDMN CC#CCN1CCCC[C@@H](NC(=O)c2cc(C)cc(C)c2)C1 ZINC001034504199 780987099 /nfs/dbraw/zinc/98/70/99/780987099.db2.gz BTCZJHLJUMOENJ-GOSISDBHSA-N 0 1 298.430 2.911 20 30 CFEDMN C#CCN1CCCC[C@@H](NC(=O)c2cccc(Cl)c2)C1 ZINC001034506266 780988786 /nfs/dbraw/zinc/98/87/86/780988786.db2.gz LJXMCEZXESZTCH-OAHLLOKOSA-N 0 1 290.794 2.558 20 30 CFEDMN C=CCN1CCCC[C@@H](NC(=O)c2sc(C)nc2C)C1 ZINC001034519286 780993318 /nfs/dbraw/zinc/99/33/18/780993318.db2.gz CCPPJPGRWRVSKL-CYBMUJFWSA-N 0 1 293.436 2.530 20 30 CFEDMN C#CCN1CCCC[C@H](NC(=O)C2CC(C(C)(C)C)C2)C1 ZINC001034543873 780997409 /nfs/dbraw/zinc/99/74/09/780997409.db2.gz BPWXTKKDOOPEKJ-GPANFISMSA-N 0 1 290.451 2.663 20 30 CFEDMN CSc1ncc(-c2nccc3[nH]cc(C#N)c32)cn1 ZINC001241627056 781028591 /nfs/dbraw/zinc/02/85/91/781028591.db2.gz BQIYPWIMQHESLV-UHFFFAOYSA-N 0 1 267.317 2.613 20 30 CFEDMN COc1nc(C)nc(-c2ccc3n[nH]c(C)c3c2)c1C#N ZINC001241666980 781060811 /nfs/dbraw/zinc/06/08/11/781060811.db2.gz QXSSWLQWBGDJEE-UHFFFAOYSA-N 0 1 279.303 2.517 20 30 CFEDMN N#Cc1c2c(cnc1-c1ccc3[nH]cnc3c1)CCC2 ZINC001241691335 781075148 /nfs/dbraw/zinc/07/51/48/781075148.db2.gz MLDDUVHLQJIQEU-UHFFFAOYSA-N 0 1 260.300 2.985 20 30 CFEDMN N#Cc1c[nH]c2ncc(-c3ccc4nc[nH]c4c3)cc12 ZINC001241703607 781083704 /nfs/dbraw/zinc/08/37/04/781083704.db2.gz RWCKXUVCAXPUFG-UHFFFAOYSA-N 0 1 259.272 2.978 20 30 CFEDMN N#Cc1c[nH]c2ccnc(-c3ccc4[nH]nc(N)c4c3)c12 ZINC001241713202 781090346 /nfs/dbraw/zinc/09/03/46/781090346.db2.gz YPQPUAXRZBYILK-UHFFFAOYSA-N 0 1 274.287 2.560 20 30 CFEDMN C#C[C@H](NCc1cnc2ccccc2n1)C(C)(C)C ZINC000705252679 781136523 /nfs/dbraw/zinc/13/65/23/781136523.db2.gz MEPBHTWWHWXXJA-HNNXBMFYSA-N 0 1 253.349 2.767 20 30 CFEDMN C=CCN1CC2(C1)CCN(C(=O)c1cc(C)c(C)o1)CC2 ZINC001035685732 781157775 /nfs/dbraw/zinc/15/77/75/781157775.db2.gz GFOSTZLUWXITHK-UHFFFAOYSA-N 0 1 288.391 2.620 20 30 CFEDMN C=CCN1CC2(C1)CCN(C(=O)C[C@H]1CC[C@@H](C)C1)CC2 ZINC001035770207 781166781 /nfs/dbraw/zinc/16/67/81/781166781.db2.gz CUCQDQGZEOQNQB-CVEARBPZSA-N 0 1 290.451 2.923 20 30 CFEDMN COc1cccc2[nH]c(-c3cc4[nH]cnc4c(C#N)n3)cc21 ZINC001241994150 781221282 /nfs/dbraw/zinc/22/12/82/781221282.db2.gz MKARZLGDANTPMR-UHFFFAOYSA-N 0 1 289.298 2.986 20 30 CFEDMN C#CC1(O)CCN(Cc2ccccc2C(F)(F)F)CC1 ZINC000708116880 781265743 /nfs/dbraw/zinc/26/57/43/781265743.db2.gz RCPWQSAJKXYKDU-UHFFFAOYSA-N 0 1 283.293 2.666 20 30 CFEDMN N#Cc1ccc(-c2cc(C(F)(F)F)ccc2O)nn1 ZINC001242126007 781293586 /nfs/dbraw/zinc/29/35/86/781293586.db2.gz FMUKJJDATURPKC-UHFFFAOYSA-N 0 1 265.194 2.740 20 30 CFEDMN C=C(Cl)CN1CC[C@@H]2CN(C(=O)CCC3CC3)CC[C@H]21 ZINC001036670197 781392253 /nfs/dbraw/zinc/39/22/53/781392253.db2.gz PYBLNGPBDPEYON-HUUCEWRRSA-N 0 1 296.842 2.852 20 30 CFEDMN COC(=O)c1nc2ccc(C3=CC(=O)CC(C)(C)C3)nc2[nH]1 ZINC001242316685 781395363 /nfs/dbraw/zinc/39/53/63/781395363.db2.gz VLKKDENYCDXLOA-UHFFFAOYSA-N 0 1 299.330 2.517 20 30 CFEDMN C=CC[C@H]1CC[N@H+](Cc2cc(C(=O)[O-])cs2)C1 ZINC000711416065 781429595 /nfs/dbraw/zinc/42/95/95/781429595.db2.gz IYYYZNLGEKMWCV-JTQLQIEISA-N 0 1 251.351 2.844 20 30 CFEDMN Cc1cc(-c2ccc(N3CCN(C)CC3)cc2)cnc1C#N ZINC001242356483 781431755 /nfs/dbraw/zinc/43/17/55/781431755.db2.gz ZZYMRLTXGUCHPC-UHFFFAOYSA-N 0 1 292.386 2.681 20 30 CFEDMN C#CCCC1(CCNc2cc(OCC)ccn2)N=N1 ZINC001163380254 781456788 /nfs/dbraw/zinc/45/67/88/781456788.db2.gz VMOPBPMKSRATTJ-UHFFFAOYSA-N 0 1 258.325 2.858 20 30 CFEDMN N#Cc1cc(-c2ccc([C@H]3CCC[NH2+]3)cn2)ccc1[O-] ZINC001242562706 781601254 /nfs/dbraw/zinc/60/12/54/781601254.db2.gz ITACYHRAKYNZAW-CQSZACIVSA-N 0 1 265.316 2.750 20 30 CFEDMN C=CCN1C[C@@H](C)[C@H](NC(=O)c2ccc(F)c(Cl)c2)C1 ZINC001080356562 781650565 /nfs/dbraw/zinc/65/05/65/781650565.db2.gz DMVOSWONRBOZOZ-QMTHXVAHSA-N 0 1 296.773 2.715 20 30 CFEDMN C=CCN1C[C@@H](C)[C@H](NC(=O)c2cccc(Cl)c2F)C1 ZINC001080374748 781657774 /nfs/dbraw/zinc/65/77/74/781657774.db2.gz LZLKTGSIWJQEOO-ZWNOBZJWSA-N 0 1 296.773 2.715 20 30 CFEDMN C=C1CC(C)(C(=O)N[C@@H]2CN(C[C@H](F)CC)C[C@H]2C)C1 ZINC001080406041 781659560 /nfs/dbraw/zinc/65/95/60/781659560.db2.gz MLOVWAIZWNWGEO-MGPQQGTHSA-N 0 1 282.403 2.527 20 30 CFEDMN C#CCN1C[C@@H](C)[C@H](NC(=O)[C@H]2CC[C@H](C(C)C)CC2)C1 ZINC001080672103 781672701 /nfs/dbraw/zinc/67/27/01/781672701.db2.gz INDTVDDOHQRKQE-QBPKDAKJSA-N 0 1 290.451 2.519 20 30 CFEDMN CC#CCN1C[C@@H](C)[C@H](NC(=O)[C@@H](C)c2ccc(C)cc2)C1 ZINC001080802833 781678309 /nfs/dbraw/zinc/67/83/09/781678309.db2.gz BFFYDTRLCQEJTC-SOLBZPMBSA-N 0 1 298.430 2.558 20 30 CFEDMN C#CCN1C[C@@H](C)[C@H](NC(=O)c2ccccc2C2CCC2)C1 ZINC001080863194 781683307 /nfs/dbraw/zinc/68/33/07/781683307.db2.gz AZKZTFYAYBPSSP-RDTXWAMCSA-N 0 1 296.414 2.637 20 30 CFEDMN C=CCN1C[C@@H](C)[C@H](NC(=O)C(C)(C)c2ccccc2)C1 ZINC001080903603 781685011 /nfs/dbraw/zinc/68/50/11/781685011.db2.gz ZJDNJTAALQCQLM-GDBMZVCRSA-N 0 1 286.419 2.587 20 30 CFEDMN C=CCN1C[C@@H](C)[C@H](NC(=O)C2(c3ccccc3C)CC2)C1 ZINC001081046836 781697350 /nfs/dbraw/zinc/69/73/50/781697350.db2.gz VXBYGYZGJQQRGB-NVXWUHKLSA-N 0 1 298.430 2.649 20 30 CFEDMN C[C@H]1CC(=O)C=C(c2cncc([C@@H]3CN4CCC3CC4)n2)C1 ZINC001242740898 781733489 /nfs/dbraw/zinc/73/34/89/781733489.db2.gz UKVHQUCDXMDTPB-MLGOLLRUSA-N 0 1 297.402 2.668 20 30 CFEDMN COc1cc(-c2nccc3[nH]cc(C#N)c32)cc(C)n1 ZINC001242746516 781739485 /nfs/dbraw/zinc/73/94/85/781739485.db2.gz BZJBWZHFAACVNK-UHFFFAOYSA-N 0 1 264.288 2.814 20 30 CFEDMN Cc1nnc(-c2cccc(O)c2Cl)c(C#N)c1C ZINC001242798757 781763860 /nfs/dbraw/zinc/76/38/60/781763860.db2.gz YFYQUYBUORZLEE-UHFFFAOYSA-N 0 1 259.696 2.991 20 30 CFEDMN COc1ncc(-c2cccc(O)c2Cl)cc1C#N ZINC001242801159 781766287 /nfs/dbraw/zinc/76/62/87/781766287.db2.gz YKUXSHBVVZWUFF-UHFFFAOYSA-N 0 1 260.680 2.988 20 30 CFEDMN C=CCN1CC[C@@H]2CN(C(=O)[C@@H]3CCCCC3(F)F)[C@@H]2C1 ZINC001084547088 781800331 /nfs/dbraw/zinc/80/03/31/781800331.db2.gz QWVWHVPCPANEGG-HZSPNIEDSA-N 0 1 298.377 2.531 20 30 CFEDMN C=CC[N@H+]1CC[C@@H]2CN(C(=O)c3cc[nH]c3C3CCC3)[C@@H]2C1 ZINC001084661034 781816629 /nfs/dbraw/zinc/81/66/29/781816629.db2.gz DDCYXPYBYXQSPN-GDBMZVCRSA-N 0 1 299.418 2.615 20 30 CFEDMN C=CCN1CC[C@@H]2CN(C(=O)c3cc[nH]c3C3CCC3)[C@@H]2C1 ZINC001084661034 781816638 /nfs/dbraw/zinc/81/66/38/781816638.db2.gz DDCYXPYBYXQSPN-GDBMZVCRSA-N 0 1 299.418 2.615 20 30 CFEDMN C#CCN1CCC(N(C)C(=O)[C@H]2CCCC[C@@H]2CC)CC1 ZINC001006212313 781817645 /nfs/dbraw/zinc/81/76/45/781817645.db2.gz SYWZTKNBCWTWOB-RDJZCZTQSA-N 0 1 290.451 2.759 20 30 CFEDMN C=CCN1CC[C@@H]2CN(C(=O)[C@H](C)CC3CCCC3)[C@@H]2C1 ZINC001084699139 781823705 /nfs/dbraw/zinc/82/37/05/781823705.db2.gz YATHKQKXYOWRAX-DJIMGWMZSA-N 0 1 290.451 2.922 20 30 CFEDMN C=CCN1C[C@]2(CC1=O)CCCCN2Cc1ccc(C)cn1 ZINC001273231156 781832996 /nfs/dbraw/zinc/83/29/96/781832996.db2.gz MFEQNLYKFPSQIS-GOSISDBHSA-N 0 1 299.418 2.533 20 30 CFEDMN C=CCN1CC[C@@H]2CN(C(=O)[C@@H](C)C3CCCC3)[C@@H]2C1 ZINC001084767162 781833099 /nfs/dbraw/zinc/83/30/99/781833099.db2.gz IUXGHPFCAAYQCP-NUEKZKHPSA-N 0 1 276.424 2.531 20 30 CFEDMN C=CCN1CC[C@@H]2CN(C(=O)c3cccc(C)c3C)[C@@H]2C1 ZINC001084807417 781840668 /nfs/dbraw/zinc/84/06/68/781840668.db2.gz PHQRDNMDPQBULG-NVXWUHKLSA-N 0 1 284.403 2.636 20 30 CFEDMN C=CCN1CC[C@@H]2CN(C(=O)[C@H](C)c3ccccc3C)[C@@H]2C1 ZINC001084846695 781845896 /nfs/dbraw/zinc/84/58/96/781845896.db2.gz VLINBHGYCZYTBO-JFIYKMOQSA-N 0 1 298.430 2.817 20 30 CFEDMN C=C(C)CN1C(=O)CC[C@@H]2[C@H]1CCN2Cc1ccc(C)nc1 ZINC001273260325 781896942 /nfs/dbraw/zinc/89/69/42/781896942.db2.gz HUXMGGWHNGMLOM-IAGOWNOFSA-N 0 1 299.418 2.531 20 30 CFEDMN N#CCC[C@H](C#N)CNC[C@@H]1CCC2(CCCC2)O1 ZINC000594554433 349446830 /nfs/dbraw/zinc/44/68/30/349446830.db2.gz QVHFFMCAHLRQKS-KGLIPLIRSA-N 0 1 261.369 2.511 20 30 CFEDMN COC(=O)c1cc(CNCc2cccc(C#N)c2)c(C)o1 ZINC000594602708 349459138 /nfs/dbraw/zinc/45/91/38/349459138.db2.gz ZMACLPKEXLVRNZ-UHFFFAOYSA-N 0 1 284.315 2.536 20 30 CFEDMN CN(Cc1cn(-c2cccc(C#N)c2)nn1)C1CCCCC1 ZINC000594652988 349468331 /nfs/dbraw/zinc/46/83/31/349468331.db2.gz WEDNDWMRRUKBCH-UHFFFAOYSA-N 0 1 295.390 2.903 20 30 CFEDMN N#Cc1ccc2nc(-c3ccnn3CC3CC3)[nH]c2c1 ZINC000594661477 349471212 /nfs/dbraw/zinc/47/12/12/349471212.db2.gz NBGLEPCSWIBFJI-UHFFFAOYSA-N 0 1 263.304 2.708 20 30 CFEDMN Cc1n[nH]cc1CNCc1ccc(C2(C#N)CC2)cc1 ZINC000594914688 349503951 /nfs/dbraw/zinc/50/39/51/349503951.db2.gz JFJNUQDKECONCH-UHFFFAOYSA-N 0 1 266.348 2.563 20 30 CFEDMN CCn1cc(CNCc2ccc(C3(C#N)CC3)cc2)cn1 ZINC000594923643 349510738 /nfs/dbraw/zinc/51/07/38/349510738.db2.gz LEGSBGAHCQQHMG-UHFFFAOYSA-N 0 1 280.375 2.748 20 30 CFEDMN N#CCCCNCc1cc(F)ccc1OC(F)F ZINC000594941803 349520740 /nfs/dbraw/zinc/52/07/40/349520740.db2.gz ARMYHZTXWYPDRK-UHFFFAOYSA-N 0 1 258.243 2.820 20 30 CFEDMN Cc1cc(CNCc2ccc(C3(C#N)CC3)cc2)n(C)n1 ZINC000594941615 349521113 /nfs/dbraw/zinc/52/11/13/349521113.db2.gz XDSVOFASKMGEEC-UHFFFAOYSA-N 0 1 280.375 2.574 20 30 CFEDMN CCCn1nccc1CNCc1ccc(CC#N)cc1 ZINC000594952196 349526290 /nfs/dbraw/zinc/52/62/90/349526290.db2.gz YEIHWMGPEMOXDT-UHFFFAOYSA-N 0 1 268.364 2.649 20 30 CFEDMN Cc1ncc(CNC2(c3ccc(C#N)cc3)CCC2)n1C ZINC000594951258 349526385 /nfs/dbraw/zinc/52/63/85/349526385.db2.gz PWFYEIVVUURQIM-UHFFFAOYSA-N 0 1 280.375 2.769 20 30 CFEDMN Cc1nccc(CNC(C)(C)c2cccc(C#N)c2)n1 ZINC000594970123 349536103 /nfs/dbraw/zinc/53/61/03/349536103.db2.gz TZVHCHBFIZLVLD-UHFFFAOYSA-N 0 1 266.348 2.682 20 30 CFEDMN CC[C@H]1CCN([C@@H](C)C(=O)Nc2ccccc2C#N)C1 ZINC000125191989 187173938 /nfs/dbraw/zinc/17/39/38/187173938.db2.gz WUVIVODTUPBGNL-STQMWFEESA-N 0 1 271.364 2.617 20 30 CFEDMN COc1cc([N+](=O)[O-])ccc1[C@H](C)NCC1(CC#N)CC1 ZINC000595055272 349566653 /nfs/dbraw/zinc/56/66/53/349566653.db2.gz VJYYGRDCTNPCPK-NSHDSACASA-N 0 1 289.335 2.948 20 30 CFEDMN C=CCCSCCN[C@@H](C)c1nccn1CC ZINC000595060523 349571414 /nfs/dbraw/zinc/57/14/14/349571414.db2.gz UUQBPSXEOOKDSA-LBPRGKRZSA-N 0 1 253.415 2.863 20 30 CFEDMN CCC(CC)CN(CCC#N)CCN1C[C@H](C)O[C@@H](C)C1 ZINC000595343776 349605967 /nfs/dbraw/zinc/60/59/67/349605967.db2.gz DVPLUQWGTUHASQ-HOTGVXAUSA-N 0 1 295.471 2.747 20 30 CFEDMN CCC(CC)CN(CCC#N)CCN1C[C@@H](C)O[C@H](C)C1 ZINC000595343778 349606349 /nfs/dbraw/zinc/60/63/49/349606349.db2.gz DVPLUQWGTUHASQ-HZPDHXFCSA-N 0 1 295.471 2.747 20 30 CFEDMN N#CC1(c2ccccn2)CCN(Cc2cccc(N)c2)CC1 ZINC000595471686 349637783 /nfs/dbraw/zinc/63/77/83/349637783.db2.gz CYNFNWNBOSGRII-UHFFFAOYSA-N 0 1 292.386 2.721 20 30 CFEDMN CC(C)c1cccc(CN2CC[C@@](O)(CC#N)C2)c1 ZINC000595556416 349658101 /nfs/dbraw/zinc/65/81/01/349658101.db2.gz DTQWEGSNJLYYBU-INIZCTEOSA-N 0 1 258.365 2.660 20 30 CFEDMN C[C@H](C(=O)N1[C@H](C)CCC[C@H]1C)N1CCC[C@@H](CC#N)C1 ZINC000595609792 349675023 /nfs/dbraw/zinc/67/50/23/349675023.db2.gz PBPVVOIPJBIWOU-FPCVCCKLSA-N 0 1 291.439 2.790 20 30 CFEDMN CCN(CCC[N@H+]1CCC[C@@H](CC#N)C1)CC(F)(F)F ZINC000595619517 349678198 /nfs/dbraw/zinc/67/81/98/349678198.db2.gz CELYQONDUHZBGE-ZDUSSCGKSA-N 0 1 291.361 2.886 20 30 CFEDMN N#CC[C@@H]1CCC[N@@H+](Cc2ccc3c[nH]nc3c2)C1 ZINC000595618727 349678870 /nfs/dbraw/zinc/67/88/70/349678870.db2.gz ZYHYZVADLPAGRX-LBPRGKRZSA-N 0 1 254.337 2.689 20 30 CFEDMN N#CC[C@H]1CCCN(Cc2cccc3c2OCCO3)C1 ZINC000595617387 349678882 /nfs/dbraw/zinc/67/88/82/349678882.db2.gz ZMRBMZXFQHBCIJ-CYBMUJFWSA-N 0 1 272.348 2.583 20 30 CFEDMN C=CCN(Cc1ccc(C#N)cc1OC)[C@H](C)COC ZINC000595639894 349687000 /nfs/dbraw/zinc/68/70/00/349687000.db2.gz YRUHLEVDHLQAPQ-CYBMUJFWSA-N 0 1 274.364 2.590 20 30 CFEDMN Cc1nccc([NH+]=C([O-])N[C@@H]2CCc3ccccc3C2)n1 ZINC000330136536 282185470 /nfs/dbraw/zinc/18/54/70/282185470.db2.gz UFDKEUDNHLGNKU-CQSZACIVSA-N 0 1 282.347 2.668 20 30 CFEDMN C=CC[C@@H]1CCCN(CC(=O)Nc2cccc(C#N)c2)C1 ZINC000595658078 349692251 /nfs/dbraw/zinc/69/22/51/349692251.db2.gz FMLPRAHLHVYZLW-CQSZACIVSA-N 0 1 283.375 2.785 20 30 CFEDMN C=CC[C@@H]1CCCN(CC(=O)Nc2ccc(C#N)cc2)C1 ZINC000595657746 349692431 /nfs/dbraw/zinc/69/24/31/349692431.db2.gz BPUXNSPZUCGNBV-OAHLLOKOSA-N 0 1 283.375 2.785 20 30 CFEDMN C[C@@]12COC[C@]1(C)CN(Cc1cccc(C#N)c1F)C2 ZINC000595689201 349701229 /nfs/dbraw/zinc/70/12/29/349701229.db2.gz NQWKPLFWHUONSR-IYBDPMFKSA-N 0 1 274.339 2.556 20 30 CFEDMN CC[C@@H](CSC)N(C)CC(=O)Nc1ccc(C#N)cc1 ZINC000157973800 529527765 /nfs/dbraw/zinc/52/77/65/529527765.db2.gz RHXPNTFJRDWAQL-AWEZNQCLSA-N 0 1 291.420 2.570 20 30 CFEDMN COC(C)(C)CN(C)Cc1ccc(C#N)cc1F ZINC000404231650 290028472 /nfs/dbraw/zinc/02/84/72/290028472.db2.gz HHYNPMLDRHBARV-UHFFFAOYSA-N 0 1 250.317 2.554 20 30 CFEDMN CN(c1ccccc1)[C@@H]1CCN(Cc2ccnc(C#N)c2)C1 ZINC000595824937 349743495 /nfs/dbraw/zinc/74/34/95/349743495.db2.gz ALVMVYNAQPRBMT-GOSISDBHSA-N 0 1 292.386 2.664 20 30 CFEDMN N#Cc1cnccc1CN1CCC[C@H](C2CCC2)C1 ZINC000595832928 349747430 /nfs/dbraw/zinc/74/74/30/349747430.db2.gz KGVFWBVJFJRZPS-AWEZNQCLSA-N 0 1 255.365 2.965 20 30 CFEDMN C=C1C[C@H]2CC[C@@H](C1)N2CC(=O)NC1(C#N)CCCCC1 ZINC000595841330 349751835 /nfs/dbraw/zinc/75/18/35/349751835.db2.gz KIKAUGDDCAZINX-GASCZTMLSA-N 0 1 287.407 2.512 20 30 CFEDMN Cc1cc(-n2ccnc2)ccc1CN1CC[C@@](C)(C#N)C1 ZINC000595842536 349752911 /nfs/dbraw/zinc/75/29/11/349752911.db2.gz FKPWQDOYFQFQDK-KRWDZBQOSA-N 0 1 280.375 2.916 20 30 CFEDMN CC[C@H](C(=O)N[C@@H]1CCC[C@@H]1C#N)N(C)Cc1ccccc1 ZINC000354901728 529614801 /nfs/dbraw/zinc/61/48/01/529614801.db2.gz QXXZKFCKWXMVQG-BRWVUGGUSA-N 0 1 299.418 2.705 20 30 CFEDMN CC[C@H](C(=O)N[C@@H]1CCC[C@H]1C#N)N(C)Cc1ccccc1 ZINC000354901730 529614923 /nfs/dbraw/zinc/61/49/23/529614923.db2.gz QXXZKFCKWXMVQG-GVDBMIGSSA-N 0 1 299.418 2.705 20 30 CFEDMN C[C@H](CN=c1[n-]c(C#N)c(Cl)s1)[N@H+]1CCCC[C@H]1C ZINC000596073029 349787542 /nfs/dbraw/zinc/78/75/42/349787542.db2.gz DHBDIUPVARRQPT-NXEZZACHSA-N 0 1 298.843 2.765 20 30 CFEDMN CC(C)[N@@H+]1CCC[C@@H](CN=c2[n-]c(C#N)c(Cl)s2)C1 ZINC000596094842 349793620 /nfs/dbraw/zinc/79/36/20/349793620.db2.gz NDHNKQURVPBHOG-JTQLQIEISA-N 0 1 298.843 2.622 20 30 CFEDMN CC(C)[N@H+]1CCC[C@@H](CN=c2[n-]c(C#N)c(Cl)s2)C1 ZINC000596094842 349793622 /nfs/dbraw/zinc/79/36/22/349793622.db2.gz NDHNKQURVPBHOG-JTQLQIEISA-N 0 1 298.843 2.622 20 30 CFEDMN CC[C@H](C)[N@@H+](CC(=O)[O-])Cc1ccc(C#N)c(C)c1 ZINC000414688257 529692407 /nfs/dbraw/zinc/69/24/07/529692407.db2.gz YCPAHSIPLJXMBY-LBPRGKRZSA-N 0 1 260.337 2.552 20 30 CFEDMN CCCC[C@H](COC)Nc1nc(C#N)c(Cl)s1 ZINC000596128935 349801241 /nfs/dbraw/zinc/80/12/41/349801241.db2.gz AHWYPKAZMTUHLR-MRVPVSSYSA-N 0 1 273.789 2.707 20 30 CFEDMN CC[N@H+]1CC[C@@H](N(C)c2nc(C#N)c(Cl)s2)C[C@H]1C ZINC000596136377 349804032 /nfs/dbraw/zinc/80/40/32/349804032.db2.gz TZCKCGRSAHXFJM-NXEZZACHSA-N 0 1 298.843 2.977 20 30 CFEDMN CCC(CC)CN(CCC#N)CCc1cnn(C)c1 ZINC000072692909 346936809 /nfs/dbraw/zinc/93/68/09/346936809.db2.gz VWMODOXSRUTPQQ-UHFFFAOYSA-N 0 1 262.401 2.614 20 30 CFEDMN CN1CC[C@@H](NCC2(C#N)CC2)[C@H]1c1ccc(F)c(F)c1 ZINC000352115496 529795912 /nfs/dbraw/zinc/79/59/12/529795912.db2.gz LRLKJYRXZITGEU-HUUCEWRRSA-N 0 1 291.345 2.603 20 30 CFEDMN CC[C@H](C)N1CCN(c2nc(C#N)c(Cl)s2)CC1 ZINC000596258528 349845038 /nfs/dbraw/zinc/84/50/38/349845038.db2.gz KERJJCRPCCWKAC-VIFPVBQESA-N 0 1 284.816 2.589 20 30 CFEDMN COc1ccnc(CN[C@H](C)c2ccc(C#N)cc2)c1 ZINC000273253521 192089056 /nfs/dbraw/zinc/08/90/56/192089056.db2.gz YOGIUCABHXJYQE-GFCCVEGCSA-N 0 1 267.332 2.813 20 30 CFEDMN Cc1ccc(-c2n[nH]c(NC(=O)c3cc(C#N)c[nH]3)c2C)o1 ZINC000161609625 232252593 /nfs/dbraw/zinc/25/25/93/232252593.db2.gz KWOGWJFIXRCCGY-UHFFFAOYSA-N 0 1 295.302 2.739 20 30 CFEDMN C=C(C)[C@@H](CO)N1CCC[C@H](C(=O)c2ccc(F)cc2)C1 ZINC000677047462 539531017 /nfs/dbraw/zinc/53/10/17/539531017.db2.gz BMWQBBSHLYQZIR-GOEBONIOSA-N 0 1 291.366 2.657 20 30 CFEDMN CN(Cc1ccc2c(c1)OCO2)Cc1cccc(C#N)c1 ZINC000016352045 346237805 /nfs/dbraw/zinc/23/78/05/346237805.db2.gz CDDKPZNDSNQKLH-UHFFFAOYSA-N 0 1 280.327 2.919 20 30 CFEDMN Cc1nc(C)c(C(=O)[C@H](C#N)c2cc(C)nc(C)n2)s1 ZINC000041574555 346353252 /nfs/dbraw/zinc/35/32/52/346353252.db2.gz ADFYAGVLUXTZJT-LLVKDONJSA-N 0 1 286.360 2.657 20 30 CFEDMN Cc1nc(C)c(C(=O)C(C#N)c2cc(C)nc(C)n2)s1 ZINC000041574555 346353257 /nfs/dbraw/zinc/35/32/57/346353257.db2.gz ADFYAGVLUXTZJT-LLVKDONJSA-N 0 1 286.360 2.657 20 30 CFEDMN C=CCN(CC=C)C[C@H](O)c1ccc(F)cc1F ZINC000051087897 346499644 /nfs/dbraw/zinc/49/96/44/346499644.db2.gz LFLUBPIFOOCHLO-AWEZNQCLSA-N 0 1 253.292 2.672 20 30 CFEDMN C=CCN(Cc1cccs1)C(=O)N[C@H]1CCCN(C)C1 ZINC000052591520 346525239 /nfs/dbraw/zinc/52/52/39/346525239.db2.gz QDIRSIDRMWTSFP-ZDUSSCGKSA-N 0 1 293.436 2.540 20 30 CFEDMN CCN1C[C@@H](CN(C)CCCC#N)Oc2ccccc21 ZINC000057624787 346633190 /nfs/dbraw/zinc/63/31/90/346633190.db2.gz YORANXRXUQUZHK-CQSZACIVSA-N 0 1 273.380 2.509 20 30 CFEDMN Cc1nn(C)c(C)c1NC(=O)CN1CCC[C@H]1C1CCC1 ZINC000328944185 539551431 /nfs/dbraw/zinc/55/14/31/539551431.db2.gz URIHDYDDZAFSCM-AWEZNQCLSA-N 0 1 290.411 2.889 20 30 CFEDMN C#CCN1CCC(C(=O)N(CC)C2CCCCC2)CC1 ZINC000067160389 346793561 /nfs/dbraw/zinc/79/35/61/346793561.db2.gz GKGLASDLMWTSKW-UHFFFAOYSA-N 0 1 276.424 2.513 20 30 CFEDMN N#Cc1cc(Cl)ccc1N1CCC(c2nc[nH]n2)CC1 ZINC000081036622 347399329 /nfs/dbraw/zinc/39/93/29/347399329.db2.gz FBOQKAKVQRBNIT-UHFFFAOYSA-N 0 1 287.754 2.714 20 30 CFEDMN CCC(N)=NOCc1ccc(SC(=O)N(C)C)cc1 ZINC000084489615 347466392 /nfs/dbraw/zinc/46/63/92/347466392.db2.gz IQCQHJDOIMLIBP-UHFFFAOYSA-N 0 1 281.381 2.659 20 30 CFEDMN N#Cc1ccc(CN(CCCO)Cc2ccccc2)o1 ZINC000093102104 347661555 /nfs/dbraw/zinc/66/15/55/347661555.db2.gz YTPIWAZUNCWPEA-UHFFFAOYSA-N 0 1 270.332 2.536 20 30 CFEDMN CC[C@@H]1c2ccccc2CCN1CC(=O)N(CC)CCC#N ZINC000114492754 347772996 /nfs/dbraw/zinc/77/29/96/347772996.db2.gz SNNZZCDBZFEKMX-QGZVFWFLSA-N 0 1 299.418 2.758 20 30 CFEDMN N#Cc1cccc(N2N=C3CCCCC[C@H]3C2=O)c1 ZINC000107892468 347736906 /nfs/dbraw/zinc/73/69/06/347736906.db2.gz CHKCFMUTNVQVJY-CYBMUJFWSA-N 0 1 253.305 2.841 20 30 CFEDMN N#Cc1cccc(-n2[nH]c3c(c2=O)CCCCC3)c1 ZINC000107892468 347736909 /nfs/dbraw/zinc/73/69/09/347736909.db2.gz CHKCFMUTNVQVJY-CYBMUJFWSA-N 0 1 253.305 2.841 20 30 CFEDMN C=CC[C@@H](C)NC(=O)NC[C@H](c1ccc(F)cc1)N(C)C ZINC000116972160 347790385 /nfs/dbraw/zinc/79/03/85/347790385.db2.gz IQPVHNSDICUZFU-IUODEOHRSA-N 0 1 293.386 2.692 20 30 CFEDMN C[C@@](CO)(NCc1cccc(C#N)c1)c1ccccc1 ZINC000169255591 348050796 /nfs/dbraw/zinc/05/07/96/348050796.db2.gz BEDKMRGBDGVMAR-KRWDZBQOSA-N 0 1 266.344 2.556 20 30 CFEDMN C=C(C)COCCNCc1ccc(OC)cc1F ZINC000228601797 348196775 /nfs/dbraw/zinc/19/67/75/348196775.db2.gz XYPYRZCOGUDKSJ-UHFFFAOYSA-N 0 1 253.317 2.517 20 30 CFEDMN C[C@](CO)(NCc1ccc(F)c(C#N)c1)c1ccccc1 ZINC000229750093 348203278 /nfs/dbraw/zinc/20/32/78/348203278.db2.gz SGWSSHRCRRGEAQ-QGZVFWFLSA-N 0 1 284.334 2.695 20 30 CFEDMN N#C[C@@H]1CCC[C@@H](NCc2cn3ccccc3n2)C1 ZINC000274228192 348334753 /nfs/dbraw/zinc/33/47/53/348334753.db2.gz RRQAZTFHWGDTPD-CHWSQXEVSA-N 0 1 254.337 2.506 20 30 CFEDMN N#C[C@H]1CC[C@@H](N2CCC3(C2)Oc2ccccc2O3)C1 ZINC000293545829 348362634 /nfs/dbraw/zinc/36/26/34/348362634.db2.gz KQPNZURFSQHCRE-QWHCGFSZSA-N 0 1 270.332 2.552 20 30 CFEDMN N#Cc1ccc(CN2CCN(CCCF)CC2)c(Cl)c1 ZINC000402254093 348581663 /nfs/dbraw/zinc/58/16/63/348581663.db2.gz QIUVGSWHCCVNMO-UHFFFAOYSA-N 0 1 295.789 2.689 20 30 CFEDMN N#CC[C@H]1CCCN(Cc2ccc([N+](=O)[O-])cc2)C1 ZINC000397699334 348563339 /nfs/dbraw/zinc/56/33/39/348563339.db2.gz DBEHQVFPMJSQJW-GFCCVEGCSA-N 0 1 259.309 2.720 20 30 CFEDMN N#CC[C@@H]1CCCN(Cc2ccc([N+](=O)[O-])cc2)C1 ZINC000397699335 348563355 /nfs/dbraw/zinc/56/33/55/348563355.db2.gz DBEHQVFPMJSQJW-LBPRGKRZSA-N 0 1 259.309 2.720 20 30 CFEDMN C=CCC[C@H](O)CN[C@@H](COCC(C)C)c1ccco1 ZINC000273466634 192162813 /nfs/dbraw/zinc/16/28/13/192162813.db2.gz DYLXKCBRWAXSMT-GJZGRUSLSA-N 0 1 281.396 2.910 20 30 CFEDMN C=CCCCC[N@H+]1CCC[C@H]1C(=O)NCc1ccco1 ZINC000584701223 348706516 /nfs/dbraw/zinc/70/65/16/348706516.db2.gz WHVXLRCZCCNJEE-HNNXBMFYSA-N 0 1 276.380 2.717 20 30 CFEDMN Cc1cc(CNc2nc(C)c(C#N)cc2Cl)n[nH]1 ZINC000589687910 348850339 /nfs/dbraw/zinc/85/03/39/348850339.db2.gz JZFHVYOPBJRUJX-UHFFFAOYSA-N 0 1 261.716 2.559 20 30 CFEDMN C[C@@H](c1ccccc1)[C@@H](CO)NCc1cccc(F)c1C#N ZINC000589990747 348868058 /nfs/dbraw/zinc/86/80/58/348868058.db2.gz ULGVNEVQOQCLHO-SCLBCKFNSA-N 0 1 298.361 2.952 20 30 CFEDMN Cc1ccc2nc(NC(=O)c3cc(O)cc(C#N)c3)[nH]c2c1 ZINC000590451862 348901496 /nfs/dbraw/zinc/90/14/96/348901496.db2.gz RTVFWYKLASEWGM-UHFFFAOYSA-N 0 1 292.298 2.701 20 30 CFEDMN O=C(N[C@@H]1CC[C@H](F)C1)[C@H]1CCCc2[nH]ncc21 ZINC000329331919 539695569 /nfs/dbraw/zinc/69/55/69/539695569.db2.gz MPSCJMYWWMZXCE-AEJSXWLSSA-N 0 1 251.305 2.677 20 30 CFEDMN N#Cc1ccc(SCc2nc([C@H]3CCCN3)no2)cc1 ZINC000592356654 349107524 /nfs/dbraw/zinc/10/75/24/349107524.db2.gz CIZQDZYBLNVJKG-GFCCVEGCSA-N 0 1 286.360 2.658 20 30 CFEDMN C[C@H](Oc1ccc(C#N)cc1)c1nc([C@@H]2CCCN2)no1 ZINC000592356989 349107620 /nfs/dbraw/zinc/10/76/20/349107620.db2.gz PFFFDNANPQQGBB-GWCFXTLKSA-N 0 1 284.319 2.506 20 30 CFEDMN N#Cc1ccccc1/C=C\c1nc([C@H]2CCCN2)no1 ZINC000592357355 349107633 /nfs/dbraw/zinc/10/76/33/349107633.db2.gz YGPYQZALXMUMPI-MEJMFZKBSA-N 0 1 266.304 2.536 20 30 CFEDMN CN(CCC(C)(C)C)CC(=O)Nc1sccc1C#N ZINC000592144897 349090283 /nfs/dbraw/zinc/09/02/83/349090283.db2.gz PZIUQOUTMZJCPY-UHFFFAOYSA-N 0 1 279.409 2.926 20 30 CFEDMN C[C@@H](CN1CC[C@](O)(CC#N)C1)c1cccc(Cl)c1 ZINC000592153796 349092645 /nfs/dbraw/zinc/09/26/45/349092645.db2.gz OXNSUZQJOZLJTL-SWLSCSKDSA-N 0 1 278.783 2.794 20 30 CFEDMN C[C@@H](CN1CC[C@@](O)(CC#N)C1)c1cccc(Cl)c1 ZINC000592153797 349092884 /nfs/dbraw/zinc/09/28/84/349092884.db2.gz OXNSUZQJOZLJTL-WFASDCNBSA-N 0 1 278.783 2.794 20 30 CFEDMN CCN(CCSC)Cc1cccc(C#N)c1F ZINC000592203191 349099722 /nfs/dbraw/zinc/09/97/22/349099722.db2.gz KOKQXKYIDBTUHR-UHFFFAOYSA-N 0 1 252.358 2.882 20 30 CFEDMN CCN(CCSC)[C@H](C)C(=O)Nc1cccc(C#N)c1 ZINC000592202330 349099906 /nfs/dbraw/zinc/09/99/06/349099906.db2.gz XNFGVUDLKQXZMD-GFCCVEGCSA-N 0 1 291.420 2.570 20 30 CFEDMN N#C[C@@H]1CC[C@@H](N[C@H](CCO)c2ccccc2F)C1 ZINC000592404003 349117633 /nfs/dbraw/zinc/11/76/33/349117633.db2.gz UGCZTNZGUZHWOI-LALPHHSUSA-N 0 1 262.328 2.531 20 30 CFEDMN Cc1c(C(=O)NCc2cnc[nH]2)cnn1C1CCCCC1 ZINC000329701632 539721030 /nfs/dbraw/zinc/72/10/30/539721030.db2.gz HNHPMJCDZJIPLQ-UHFFFAOYSA-N 0 1 287.367 2.925 20 30 CFEDMN CC(C)COc1cccc(CN2CC[C@](O)(CC#N)C2)c1 ZINC000592522751 349132562 /nfs/dbraw/zinc/13/25/62/349132562.db2.gz QWUHGYHENLJKJH-QGZVFWFLSA-N 0 1 288.391 2.572 20 30 CFEDMN CC(C)COc1ccc(CN2CC[C@@](O)(CC#N)C2)cc1 ZINC000592521723 349132602 /nfs/dbraw/zinc/13/26/02/349132602.db2.gz BMSPUBBEIDYHER-KRWDZBQOSA-N 0 1 288.391 2.572 20 30 CFEDMN Cc1cc(Cl)cc(C)c1CN1CC[C@@](O)(CC#N)C1 ZINC000592523364 349133565 /nfs/dbraw/zinc/13/35/65/349133565.db2.gz ZBLWWSVRKFPMHJ-HNNXBMFYSA-N 0 1 278.783 2.807 20 30 CFEDMN Cc1c(C#N)c(=NC(=O)c2ccc(C(C)(C)C)cc2)[nH]n1C ZINC000592647421 349145671 /nfs/dbraw/zinc/14/56/71/349145671.db2.gz SEYZYFJFJGZXJX-UHFFFAOYSA-N 0 1 296.374 2.572 20 30 CFEDMN COc1ccc(C#N)cc1CN1CC[C@]2(CC2(F)F)C1 ZINC000593117428 349213483 /nfs/dbraw/zinc/21/34/83/349213483.db2.gz NDHYSDTYOXGPDC-AWEZNQCLSA-N 0 1 278.302 2.798 20 30 CFEDMN Cc1ccccc1[C@@H]1C[C@H]1NC[C@@H](C#N)CCC#N ZINC000593182337 349224743 /nfs/dbraw/zinc/22/47/43/349224743.db2.gz IPJVCUPDASLVPP-VNQPRFMTSA-N 0 1 253.349 2.884 20 30 CFEDMN N#Cc1ccc(CN2CCC[C@@H](Oc3ccccc3)C2)nc1 ZINC000593958552 349340177 /nfs/dbraw/zinc/34/01/77/349340177.db2.gz SJIWHOZAUIYLID-GOSISDBHSA-N 0 1 293.370 2.997 20 30 CFEDMN C=CCCn1cc(CN[C@@H]2CCC[C@@H]2SCC)nn1 ZINC000593997644 349349273 /nfs/dbraw/zinc/34/92/73/349349273.db2.gz VZWDHCAKQPARTF-KGLIPLIRSA-N 0 1 280.441 2.618 20 30 CFEDMN CC(C)O[C@H]1CCCN(Cc2cnc3ccc(C#N)cn23)C1 ZINC000593660386 349305995 /nfs/dbraw/zinc/30/59/95/349305995.db2.gz QDLTVONOGNUQGN-INIZCTEOSA-N 0 1 298.390 2.595 20 30 CFEDMN Cn1ccnc1[C@H](Cc1ccccc1)N[C@H]1CC[C@H](C#N)C1 ZINC000593678456 349308384 /nfs/dbraw/zinc/30/83/84/349308384.db2.gz LAEFEWBLUDAQMM-ULQDDVLXSA-N 0 1 294.402 2.986 20 30 CFEDMN C[C@H](COCC1CC1)NCc1ccc(C#N)cc1F ZINC000593682539 349309723 /nfs/dbraw/zinc/30/97/23/349309723.db2.gz SRFKQQKSUKFHDY-LLVKDONJSA-N 0 1 262.328 2.602 20 30 CFEDMN C[C@@H](CC#N)C(=O)Nc1ccc2nc([C@H]3CCCO3)[nH]c2c1 ZINC000596966776 350009718 /nfs/dbraw/zinc/00/97/18/350009718.db2.gz BYZRZYJNLXDJND-IINYFYTJSA-N 0 1 298.346 2.903 20 30 CFEDMN N#CC1(c2ccc(C[NH+]3CCN(C4CC4)CC3)cc2)CC1 ZINC000596983324 350011334 /nfs/dbraw/zinc/01/13/34/350011334.db2.gz VJBZYKNOBDZASM-UHFFFAOYSA-N 0 1 281.403 2.522 20 30 CFEDMN N#CC1(c2ccc(C[N@H+]3CCO[C@@H](C4CC4)C3)cc2)CC1 ZINC000597084681 350027840 /nfs/dbraw/zinc/02/78/40/350027840.db2.gz AKLRXNGWZNYJMZ-QGZVFWFLSA-N 0 1 282.387 2.853 20 30 CFEDMN N#CC1(c2ccc(CN3CCO[C@@H](C4CC4)C3)cc2)CC1 ZINC000597084681 350027844 /nfs/dbraw/zinc/02/78/44/350027844.db2.gz AKLRXNGWZNYJMZ-QGZVFWFLSA-N 0 1 282.387 2.853 20 30 CFEDMN N#CC1(c2ccc(CN3CCCc4n[nH]cc4C3)cc2)CC1 ZINC000597269091 350076507 /nfs/dbraw/zinc/07/65/07/350076507.db2.gz SZENQJJTYNSIHS-UHFFFAOYSA-N 0 1 292.386 2.913 20 30 CFEDMN Cn1cc(CN2CCC[C@H](CC#N)C2)c(C(C)(C)C)n1 ZINC000597178518 350045404 /nfs/dbraw/zinc/04/54/04/350045404.db2.gz ZZOBTALINUVLSD-CYBMUJFWSA-N 0 1 274.412 2.843 20 30 CFEDMN C[C@@H](CC#N)C(=O)NC[C@@H](c1ccc(Cl)cc1)N(C)C ZINC000597333384 350084895 /nfs/dbraw/zinc/08/48/95/350084895.db2.gz LLRJZJACIXYTJG-FZMZJTMJSA-N 0 1 293.798 2.609 20 30 CFEDMN C[C@H](CC#N)C(=O)N1CC[N@@H+](Cc2ccccc2)C[C@@H](C)C1 ZINC000597734810 350130340 /nfs/dbraw/zinc/13/03/40/350130340.db2.gz DJWKKUWZEBOHOR-HZPDHXFCSA-N 0 1 299.418 2.517 20 30 CFEDMN CC[C@@H](CSC)N(C)CC(=O)Nc1cccc(C#N)c1 ZINC000091099844 180098232 /nfs/dbraw/zinc/09/82/32/180098232.db2.gz DYNPMLYSMZDRJM-AWEZNQCLSA-N 0 1 291.420 2.570 20 30 CFEDMN CCCCCc1cc(C(=O)N2CCC[C@H](CC#N)C2)n[nH]1 ZINC000597901229 350151847 /nfs/dbraw/zinc/15/18/47/350151847.db2.gz HUXRZTVFMIFEBA-CYBMUJFWSA-N 0 1 288.395 2.908 20 30 CFEDMN CC[C@@H](C)N(C)CC(=O)Nc1cc(Cl)ccc1C#N ZINC000104686657 186013897 /nfs/dbraw/zinc/01/38/97/186013897.db2.gz JADJHXWZXGMXDJ-SNVBAGLBSA-N 0 1 279.771 2.880 20 30 CFEDMN C#CCCCCC(=O)NC[C@@H](c1ccsc1)N(C)C ZINC000271340477 191084253 /nfs/dbraw/zinc/08/42/53/191084253.db2.gz CVYQKBMEJSEIOC-AWEZNQCLSA-N 0 1 278.421 2.661 20 30 CFEDMN Cc1noc([C@@H]2CCCN(Cc3cc(C#N)cs3)C2)n1 ZINC000091833278 180266737 /nfs/dbraw/zinc/26/67/37/180266737.db2.gz XZKMWOUGHMJULZ-GFCCVEGCSA-N 0 1 288.376 2.691 20 30 CFEDMN CC(C)(C#N)C[C@H](O)CN1CC[C@H]1c1ccc(F)cc1 ZINC000598626961 350296661 /nfs/dbraw/zinc/29/66/61/350296661.db2.gz MQFOZYXGQMPSDO-GJZGRUSLSA-N 0 1 276.355 2.873 20 30 CFEDMN CC(C)(C#N)C[C@@H](O)CN1CC(C)(C)[C@@H]1c1cccnc1 ZINC000598629185 350297678 /nfs/dbraw/zinc/29/76/78/350297678.db2.gz YZCKCHMBDWMIFQ-CABCVRRESA-N 0 1 287.407 2.765 20 30 CFEDMN CCOc1cncc(CNCc2ccc(C#N)c(OC)c2)c1 ZINC000598643357 350300555 /nfs/dbraw/zinc/30/05/55/350300555.db2.gz AWFTVOOPNDTPOU-UHFFFAOYSA-N 0 1 297.358 2.650 20 30 CFEDMN CC(C)(C#N)C[C@@H](O)CN1CC2(CCC2)[C@H]1c1ccncc1 ZINC000598705472 350314272 /nfs/dbraw/zinc/31/42/72/350314272.db2.gz KFIFHJNACPNZNG-HZPDHXFCSA-N 0 1 299.418 2.909 20 30 CFEDMN CN(Cc1ccc(F)cc1F)C[C@@H](O)CC(C)(C)C#N ZINC000598587025 350286126 /nfs/dbraw/zinc/28/61/26/350286126.db2.gz HDIXCEHIXQVIER-ZDUSSCGKSA-N 0 1 282.334 2.697 20 30 CFEDMN Cc1csc([C@@H]2CCCN2C[C@@H](O)CC(C)(C)C#N)n1 ZINC000598590136 350287691 /nfs/dbraw/zinc/28/76/91/350287691.db2.gz KRJOOQPIHPKVTB-STQMWFEESA-N 0 1 293.436 2.889 20 30 CFEDMN COc1cccc(F)c1[C@H](C)NC[C@@H](O)CC(C)(C)C#N ZINC000598600207 350290760 /nfs/dbraw/zinc/29/07/60/350290760.db2.gz ICZQEBAFDYVSPO-RYUDHWBXSA-N 0 1 294.370 2.786 20 30 CFEDMN Cc1ccc(CN[C@@](C)(CO)c2ccccc2)cc1C#N ZINC000599286117 350407379 /nfs/dbraw/zinc/40/73/79/350407379.db2.gz CWBQOPFQVSBXFR-SFHVURJKSA-N 0 1 280.371 2.864 20 30 CFEDMN Cc1ccc(CN2CC[C@H](Oc3ccccn3)C2)cc1C#N ZINC000599310598 350412758 /nfs/dbraw/zinc/41/27/58/350412758.db2.gz WMLULOGGKVZGAN-KRWDZBQOSA-N 0 1 293.370 2.915 20 30 CFEDMN Cc1ccc(CN[C@H](CO)c2ccsc2)cc1C#N ZINC000599372932 350426349 /nfs/dbraw/zinc/42/63/49/350426349.db2.gz PMNVVEWBUHCSJO-OAHLLOKOSA-N 0 1 272.373 2.751 20 30 CFEDMN CC(C)(C#N)CCCCN1CCO[C@H](CCF)C1 ZINC000599633982 350468920 /nfs/dbraw/zinc/46/89/20/350468920.db2.gz DNVYMMXXCUYTGZ-CYBMUJFWSA-N 0 1 256.365 2.767 20 30 CFEDMN C=CC[N@@H+](Cc1nc(=O)c2sccc2[n-]1)C1CC1 ZINC000271375141 191105227 /nfs/dbraw/zinc/10/52/27/191105227.db2.gz HKVCFQQXONLQGY-UHFFFAOYSA-N 0 1 261.350 2.547 20 30 CFEDMN CCC(O)(CC)CN(C)Cc1cccc(F)c1C#N ZINC000599673154 350478340 /nfs/dbraw/zinc/47/83/40/350478340.db2.gz LMQMZGNZXDYSCJ-UHFFFAOYSA-N 0 1 264.344 2.680 20 30 CFEDMN CN(Cc1cn([C@@H]2CC[C@H](C#N)C2)nn1)C1CCCCC1 ZINC000600813637 350617331 /nfs/dbraw/zinc/61/73/31/350617331.db2.gz QNSNTZDMBDSMBN-XJKSGUPXSA-N 0 1 287.411 2.907 20 30 CFEDMN CCc1n[nH]c(S[C@H](C#N)CCc2ccccc2)n1 ZINC000601074320 350659288 /nfs/dbraw/zinc/65/92/88/350659288.db2.gz OPTKHENVVQHMFM-LBPRGKRZSA-N 0 1 272.377 2.984 20 30 CFEDMN CCc1nc(S[C@H](C#N)CCc2ccccc2)n[nH]1 ZINC000601074320 350659290 /nfs/dbraw/zinc/65/92/90/350659290.db2.gz OPTKHENVVQHMFM-LBPRGKRZSA-N 0 1 272.377 2.984 20 30 CFEDMN N#Cc1cccc(CNCc2ccnn2CC2CCC2)c1 ZINC000601100953 350668565 /nfs/dbraw/zinc/66/85/65/350668565.db2.gz QPLRDNDNDXCZQD-UHFFFAOYSA-N 0 1 280.375 2.845 20 30 CFEDMN CCCN1CCN(c2ncc(C#N)c3ccsc32)CC1 ZINC000601100227 350668643 /nfs/dbraw/zinc/66/86/43/350668643.db2.gz NUIVTXFMRBYBBZ-UHFFFAOYSA-N 0 1 286.404 2.700 20 30 CFEDMN COc1cc(Cl)c(CNCCCC#N)cc1OC ZINC000601113724 350671386 /nfs/dbraw/zinc/67/13/86/350671386.db2.gz PZIWZKZUZHSPPJ-UHFFFAOYSA-N 0 1 268.744 2.751 20 30 CFEDMN N#Cc1ccc(CNCc2ccnn2CC2CCC2)cc1F ZINC000601126370 350676136 /nfs/dbraw/zinc/67/61/36/350676136.db2.gz QIEKRFNRWVEIQS-UHFFFAOYSA-N 0 1 298.365 2.984 20 30 CFEDMN C[C@H]1CN(c2ncc(C#N)c3ccsc32)[C@@H](C)CN1C ZINC000601137343 350679207 /nfs/dbraw/zinc/67/92/07/350679207.db2.gz WIVVPMIVEKEIIT-QWRGUYRKSA-N 0 1 286.404 2.697 20 30 CFEDMN CCN1CCN(c2ncc(C#N)c3ccsc32)[C@@H](C)C1 ZINC000601165029 350685896 /nfs/dbraw/zinc/68/58/96/350685896.db2.gz IZKDRGLXWRUEGM-NSHDSACASA-N 0 1 286.404 2.698 20 30 CFEDMN C[C@H](N[C@@H](C)[C@H](O)C(F)(F)F)c1ccc(C#N)c(F)c1 ZINC000601301292 350720163 /nfs/dbraw/zinc/72/01/63/350720163.db2.gz XHTBETAXQZYEJV-UBJUHAIHSA-N 0 1 290.260 2.660 20 30 CFEDMN CC(C)(C)c1nc[nH]c1C(=O)N1CCc2ccc(C#N)cc21 ZINC000601375165 350727525 /nfs/dbraw/zinc/72/75/25/350727525.db2.gz FRGRZCMMDAUDPI-UHFFFAOYSA-N 0 1 294.358 2.782 20 30 CFEDMN CNc1ccc(C#N)cc1NC(=O)c1[nH]cnc1C(C)(C)C ZINC000601544367 350737920 /nfs/dbraw/zinc/73/79/20/350737920.db2.gz YLMXPLPECZDQBP-UHFFFAOYSA-N 0 1 297.362 2.873 20 30 CFEDMN Cc1[nH]n(-c2ccc(C#N)c(Cl)c2)c(=O)c1C1CC1 ZINC000601948769 350815230 /nfs/dbraw/zinc/81/52/30/350815230.db2.gz LCTKAGGYMCFDRD-ZDUSSCGKSA-N 0 1 273.723 2.960 20 30 CFEDMN Cc1[nH]n(CCCOCc2ccccc2)c(=O)c1CCC#N ZINC000601954613 350817849 /nfs/dbraw/zinc/81/78/49/350817849.db2.gz QIQUCZRAOOZDPF-MRXNPFEDSA-N 0 1 299.374 2.731 20 30 CFEDMN CC(C)(C#N)C[C@@H](O)CN[C@H](CF)c1ccc(F)cc1 ZINC000601969209 350821534 /nfs/dbraw/zinc/82/15/34/350821534.db2.gz AOKIAYRZSIUKQA-ZIAGYGMSSA-N 0 1 282.334 2.727 20 30 CFEDMN C[C@@H]1CCC2=NN(c3cccc(C#N)c3)C(=O)[C@H]2C1 ZINC000601933348 350806770 /nfs/dbraw/zinc/80/67/70/350806770.db2.gz XIWGEWZYBJQNFJ-MFKMUULPSA-N 0 1 253.305 2.697 20 30 CFEDMN C[C@@H]1CCc2[nH]n(-c3cccc(C#N)c3)c(=O)c2C1 ZINC000601933348 350806775 /nfs/dbraw/zinc/80/67/75/350806775.db2.gz XIWGEWZYBJQNFJ-MFKMUULPSA-N 0 1 253.305 2.697 20 30 CFEDMN Cc1[nH]n(-c2cccc([N+](=O)[O-])c2C)c(=O)c1CCC#N ZINC000601939520 350810001 /nfs/dbraw/zinc/81/00/01/350810001.db2.gz LNAFRDKGABXWIG-NSHDSACASA-N 0 1 286.291 2.546 20 30 CFEDMN C[C@H](NCc1cccc(F)c1C#N)[C@@H]1CCCCO1 ZINC000602015768 350832030 /nfs/dbraw/zinc/83/20/30/350832030.db2.gz PBCQUZPXKPLCFP-NHYWBVRUSA-N 0 1 262.328 2.745 20 30 CFEDMN N#Cc1c(F)cccc1CNC[C@H](O)CCc1ccccc1 ZINC000602016443 350832339 /nfs/dbraw/zinc/83/23/39/350832339.db2.gz WPZKMMPENBSTBI-MRXNPFEDSA-N 0 1 298.361 2.781 20 30 CFEDMN CCC(CC)CN(CCC#N)C(=O)[C@@H]1C[C@H]1c1cnc[nH]1 ZINC000602094821 350839749 /nfs/dbraw/zinc/83/97/49/350839749.db2.gz XMKDPLZRLARBMR-ZIAGYGMSSA-N 0 1 288.395 2.692 20 30 CFEDMN C[C@@H](NCc1cccc(C#N)n1)c1ccc2c(c1)OCO2 ZINC000602510314 350910392 /nfs/dbraw/zinc/91/03/92/350910392.db2.gz LWTGEOKRIYDTEG-LLVKDONJSA-N 0 1 281.315 2.533 20 30 CFEDMN CO[C@H](c1ccccc1F)[C@@H](C)NCc1cccc(C#N)n1 ZINC000602582051 350933351 /nfs/dbraw/zinc/93/33/51/350933351.db2.gz MTZJBIUDBQAPHF-PXAZEXFGSA-N 0 1 299.349 2.958 20 30 CFEDMN CCC(CC)C(=O)N1CCN(C[C@@H](C)CCC#N)CC1 ZINC000602440256 350883602 /nfs/dbraw/zinc/88/36/02/350883602.db2.gz PBONYFZAVIAUJT-AWEZNQCLSA-N 0 1 279.428 2.507 20 30 CFEDMN N#Cc1cccc(CN2CCC(c3ccccn3)CC2)n1 ZINC000602455768 350889297 /nfs/dbraw/zinc/88/92/97/350889297.db2.gz ULSKJRVQGMELOZ-UHFFFAOYSA-N 0 1 278.359 2.728 20 30 CFEDMN COc1cc(CNCC2(CC#N)CC2)c(Cl)cc1O ZINC000602642315 350959120 /nfs/dbraw/zinc/95/91/20/350959120.db2.gz IIPZPVAUUFUTAW-UHFFFAOYSA-N 0 1 280.755 2.838 20 30 CFEDMN Cc1ncc([C@H](C)NCc2cnc3ccc(C#N)cn23)s1 ZINC000602737088 351008553 /nfs/dbraw/zinc/00/85/53/351008553.db2.gz SZNMPKHXNIWVNT-JTQLQIEISA-N 0 1 297.387 2.822 20 30 CFEDMN C[C@@H](CCC#N)CN1CCNC(=O)[C@H]1CC1CCCCC1 ZINC000602697671 350984519 /nfs/dbraw/zinc/98/45/19/350984519.db2.gz KZRCONKIYOMCPG-GOEBONIOSA-N 0 1 291.439 2.697 20 30 CFEDMN C[C@H](CCC#N)CN1CCN([C@H](C)c2nccs2)CC1 ZINC000602616957 350948185 /nfs/dbraw/zinc/94/81/85/350948185.db2.gz KURWRUYOQSPHOL-ZIAGYGMSSA-N 0 1 292.452 2.762 20 30 CFEDMN CCO[C@@H](CNCc1cccc(C#N)n1)c1ccccc1 ZINC000602635604 350954993 /nfs/dbraw/zinc/95/49/93/350954993.db2.gz AKEHHURKFPXOMM-KRWDZBQOSA-N 0 1 281.359 2.821 20 30 CFEDMN Cc1noc(C)c1CO[C@@H]1CCN(CC2(CC#N)CC2)C1 ZINC000602808152 351034195 /nfs/dbraw/zinc/03/41/95/351034195.db2.gz AVCAJQNDBSJOSN-CQSZACIVSA-N 0 1 289.379 2.576 20 30 CFEDMN C[C@@H](c1ccc(F)cc1)N1C[C@@H](C)N(CC#N)[C@@H](C)C1 ZINC000602856523 351047718 /nfs/dbraw/zinc/04/77/18/351047718.db2.gz MWERVQINUGZHGF-MJBXVCDLSA-N 0 1 275.371 2.805 20 30 CFEDMN COCCN(Cc1cccs1)CC1(CC#N)CC1 ZINC000602758990 351015043 /nfs/dbraw/zinc/01/50/43/351015043.db2.gz KYTPNJHEKIWWHH-UHFFFAOYSA-N 0 1 264.394 2.890 20 30 CFEDMN CCn1nc(C)c(C[N@@H+](C)CC2(CC#N)CC2)c1C ZINC000602925353 351067806 /nfs/dbraw/zinc/06/78/06/351067806.db2.gz LMOPGWCZTMQVNW-UHFFFAOYSA-N 0 1 260.385 2.646 20 30 CFEDMN CCn1nc(C)c(CN(C)CC2(CC#N)CC2)c1C ZINC000602925353 351067811 /nfs/dbraw/zinc/06/78/11/351067811.db2.gz LMOPGWCZTMQVNW-UHFFFAOYSA-N 0 1 260.385 2.646 20 30 CFEDMN CN(CCC(=O)N1CCc2ccccc21)[C@@H]1CCC[C@@H]1C#N ZINC000602976134 351077092 /nfs/dbraw/zinc/07/70/92/351077092.db2.gz LHIIGONAHXWEMA-HZPDHXFCSA-N 0 1 297.402 2.590 20 30 CFEDMN CN(C)c1cccc(CN(C)[C@H]2CCC[C@H]2C#N)c1 ZINC000602977458 351077571 /nfs/dbraw/zinc/07/75/71/351077571.db2.gz BMFXPZCGRPNNAT-HOCLYGCPSA-N 0 1 257.381 2.877 20 30 CFEDMN CN(CCCOCC(F)(F)F)[C@H]1CCC[C@@H]1C#N ZINC000602977061 351077800 /nfs/dbraw/zinc/07/78/00/351077800.db2.gz XGGXFYDOHZQUKA-MNOVXSKESA-N 0 1 264.291 2.579 20 30 CFEDMN CN(C)c1cccc(CN(C)[C@H]2CCC[C@@H]2C#N)c1 ZINC000602977459 351079045 /nfs/dbraw/zinc/07/90/45/351079045.db2.gz BMFXPZCGRPNNAT-ZBFHGGJFSA-N 0 1 257.381 2.877 20 30 CFEDMN CN(CCCOc1cccc(C#N)c1)[C@@H]1CCC[C@H]1C#N ZINC000602978265 351079099 /nfs/dbraw/zinc/07/90/99/351079099.db2.gz OCAVNOHPDDTWIB-DOTOQJQBSA-N 0 1 283.375 2.951 20 30 CFEDMN CN(CCC(=O)Nc1cccc(C#N)c1)[C@H]1CCC[C@@H]1C#N ZINC000602980360 351081491 /nfs/dbraw/zinc/08/14/91/351081491.db2.gz PGGZOUDKHGZRSC-ZBFHGGJFSA-N 0 1 296.374 2.511 20 30 CFEDMN CN(Cc1ccc(-n2ccnc2)cc1)[C@H]1CCC[C@@H]1C#N ZINC000602980608 351082533 /nfs/dbraw/zinc/08/25/33/351082533.db2.gz SFVJHJSVHRZBKJ-WBVHZDCISA-N 0 1 280.375 2.996 20 30 CFEDMN Cc1nn(C)cc1C(=O)C(C#N)c1ccc2ccccc2n1 ZINC000603627757 351176333 /nfs/dbraw/zinc/17/63/33/351176333.db2.gz MGVBRAQDDXRFNX-ZDUSSCGKSA-N 0 1 290.326 2.767 20 30 CFEDMN C=CCCCCCN(C)C(=O)[C@@H]1CCCCN1C ZINC000606881625 351298092 /nfs/dbraw/zinc/29/80/92/351298092.db2.gz WLNYGDCDVYZVKE-AWEZNQCLSA-N 0 1 252.402 2.676 20 30 CFEDMN N#Cc1ccccc1CN1CCC[C@H](n2ccnc2)C1 ZINC000609157573 351489683 /nfs/dbraw/zinc/48/96/83/351489683.db2.gz GKLHZBDXRJLDIW-INIZCTEOSA-N 0 1 266.348 2.592 20 30 CFEDMN N#Cc1cc(CN2CCC[C@@H](n3ccnc3)C2)ccc1F ZINC000610719595 351597417 /nfs/dbraw/zinc/59/74/17/351597417.db2.gz DRDDBVULFHGMSJ-OAHLLOKOSA-N 0 1 284.338 2.731 20 30 CFEDMN C[C@]1(c2ccccc2)C[C@@H]1NC[C@H](C#N)CCC#N ZINC000610342520 351555935 /nfs/dbraw/zinc/55/59/35/351555935.db2.gz FEXULPMAUDLWDJ-CWRNSKLLSA-N 0 1 253.349 2.750 20 30 CFEDMN CCCCCNC(=O)[C@@H](C)N[C@@H](C)c1cccc(C#N)c1 ZINC000610343555 351556793 /nfs/dbraw/zinc/55/67/93/351556793.db2.gz LBDSRZVFNBNYJU-UONOGXRCSA-N 0 1 287.407 2.904 20 30 CFEDMN C[C@H]([C@@H]1Cc2ccccc2O1)N(C)Cc1ccnc(C#N)c1 ZINC000610995089 351632506 /nfs/dbraw/zinc/63/25/06/351632506.db2.gz DQVPFQWWOQXMQL-ACJLOTCBSA-N 0 1 293.370 2.777 20 30 CFEDMN COC(=O)c1cccc(CN(C)CCC(C)C)c1C#N ZINC000611126642 351642887 /nfs/dbraw/zinc/64/28/87/351642887.db2.gz AFRUYAFJBDFCEM-UHFFFAOYSA-N 0 1 274.364 2.823 20 30 CFEDMN CN(C)c1ccc(CN(C)Cc2cccc(C#N)c2)cn1 ZINC000611191232 351650788 /nfs/dbraw/zinc/65/07/88/351650788.db2.gz UXEQKUGKGMUQGZ-UHFFFAOYSA-N 0 1 280.375 2.651 20 30 CFEDMN C[C@H](NCC(=O)NCC1CCCCC1)c1cccc(C#N)c1 ZINC000611387048 351677979 /nfs/dbraw/zinc/67/79/79/351677979.db2.gz DRNJQTSQXHUNHD-AWEZNQCLSA-N 0 1 299.418 2.905 20 30 CFEDMN C=C(C)CN(CC)C(=O)CN[C@H](C)c1cccc(C#N)c1 ZINC000611387361 351679651 /nfs/dbraw/zinc/67/96/51/351679651.db2.gz MCYJNJIHMNGTMX-CQSZACIVSA-N 0 1 285.391 2.633 20 30 CFEDMN N#Cc1ccc(S(=O)(=O)Nc2ccc(C3CC3)cc2)cn1 ZINC000611305110 351667057 /nfs/dbraw/zinc/66/70/57/351667057.db2.gz SDZVLBKTFXXKNI-UHFFFAOYSA-N 0 1 299.355 2.631 20 30 CFEDMN C[C@H](NCc1ccnc(C#N)c1)c1ccc([S@@](C)=O)cc1 ZINC000611799170 351742212 /nfs/dbraw/zinc/74/22/12/351742212.db2.gz HUDOXBKTQSLKGD-LAJNKCICSA-N 0 1 299.399 2.541 20 30 CFEDMN N#Cc1ccc(OCCN2CCC[C@@H](OC(F)F)C2)cc1 ZINC000611578748 351711195 /nfs/dbraw/zinc/71/11/95/351711195.db2.gz RIKDPIVDWXPQMC-CQSZACIVSA-N 0 1 296.317 2.641 20 30 CFEDMN C[C@@]1(C#N)CCCN(C(=O)c2cc(-c3ccccc3)[nH]n2)C1 ZINC000612240430 351790486 /nfs/dbraw/zinc/79/04/86/351790486.db2.gz PVRFCGJWUGBYIG-KRWDZBQOSA-N 0 1 294.358 2.843 20 30 CFEDMN CCN(CC)CC(=O)Nc1ccc(OC(C)C)c(C#N)c1 ZINC000122092721 187014966 /nfs/dbraw/zinc/01/49/66/187014966.db2.gz OFEVEIPHIIPMAF-UHFFFAOYSA-N 0 1 289.379 2.626 20 30 CFEDMN CN(CCOCc1ccc(C#N)cc1)CC1(F)CC1 ZINC000565626239 290313627 /nfs/dbraw/zinc/31/36/27/290313627.db2.gz NTBRLUHDRVONDD-UHFFFAOYSA-N 0 1 262.328 2.509 20 30 CFEDMN C[C@H](O)C[C@@H]1CCCCN1Cc1cc(C#N)ccc1F ZINC000123731352 187106710 /nfs/dbraw/zinc/10/67/10/187106710.db2.gz WRIKSUTZYWLAPP-WFASDCNBSA-N 0 1 276.355 2.823 20 30 CFEDMN N#C[C@@H](C(=O)c1cc(-c2ccoc2)[nH]n1)c1ccccn1 ZINC000613296716 351934548 /nfs/dbraw/zinc/93/45/48/351934548.db2.gz WJEJSHHQFRPQIF-LLVKDONJSA-N 0 1 278.271 2.555 20 30 CFEDMN N#CC(C(=O)c1cc(-c2ccoc2)[nH]n1)c1ccccn1 ZINC000613296716 351934550 /nfs/dbraw/zinc/93/45/50/351934550.db2.gz WJEJSHHQFRPQIF-LLVKDONJSA-N 0 1 278.271 2.555 20 30 CFEDMN C=CCN(Cc1cccc(C(=O)N(C)C)c1)C1CC1 ZINC000271451248 191144901 /nfs/dbraw/zinc/14/49/01/191144901.db2.gz OKKKBUQUUBMSAB-UHFFFAOYSA-N 0 1 258.365 2.539 20 30 CFEDMN C=CCN(C[C@@H](O)c1ccc(F)cc1F)C1CC1 ZINC000271454260 191147097 /nfs/dbraw/zinc/14/70/97/191147097.db2.gz OSXBLGASQLRTSP-CQSZACIVSA-N 0 1 253.292 2.649 20 30 CFEDMN CO[C@@]1(C(F)(F)F)CCCN(CCC(C)(C)C#N)C1 ZINC000614924883 352132894 /nfs/dbraw/zinc/13/28/94/352132894.db2.gz ORPOFLXTZSAAOX-LBPRGKRZSA-N 0 1 278.318 2.970 20 30 CFEDMN Cc1cc(C#N)ccc1CN1CCC[C@@H]1[C@@H](O)C(F)(F)F ZINC000614398197 352089227 /nfs/dbraw/zinc/08/92/27/352089227.db2.gz NUVVAOWQSLEVNL-ZIAGYGMSSA-N 0 1 298.308 2.754 20 30 CFEDMN C=CCC1(CNC(=O)[C@H]2CCc3[nH]cnc3C2)CCCC1 ZINC000615975563 352269365 /nfs/dbraw/zinc/26/93/65/352269365.db2.gz DMZIVQIVMWWEOB-ZDUSSCGKSA-N 0 1 287.407 2.767 20 30 CFEDMN C=CCC(C)(C)C(=O)NCc1ccc2nc[nH]c2c1 ZINC000615792211 352242683 /nfs/dbraw/zinc/24/26/83/352242683.db2.gz AAFVDJPLJBEYBF-UHFFFAOYSA-N 0 1 257.337 2.781 20 30 CFEDMN C=C(C)[C@H](CO)N1CCc2cc(OCCC)ccc2C1 ZINC000678049842 539860222 /nfs/dbraw/zinc/86/02/22/539860222.db2.gz PADITPNYLNPOIV-KRWDZBQOSA-N 0 1 275.392 2.771 20 30 CFEDMN C=CCN(C(=O)c1cc(-c2cccc(OC)c2)[nH]n1)C1CC1 ZINC000271524630 191190901 /nfs/dbraw/zinc/19/09/01/191190901.db2.gz NMFUSQIFXLLGFO-UHFFFAOYSA-N 0 1 297.358 2.876 20 30 CFEDMN C=CC[C@H]1CCCN(C(=O)C(C)(C)c2c[nH]cn2)C1 ZINC000617779616 352643068 /nfs/dbraw/zinc/64/30/68/352643068.db2.gz FDBSYUKDLIUJHL-LBPRGKRZSA-N 0 1 261.369 2.502 20 30 CFEDMN C=CC[C@H]1CCCN(C(=O)c2c[nH]c3ccccc3c2=O)C1 ZINC000617787309 352647180 /nfs/dbraw/zinc/64/71/80/352647180.db2.gz LQFSUNRDXVGSIQ-ZDUSSCGKSA-N 0 1 296.370 2.956 20 30 CFEDMN C=C[C@](C)(CC)C(=O)NCc1nc2ccc(F)cc2[nH]1 ZINC000135088025 187795204 /nfs/dbraw/zinc/79/52/04/187795204.db2.gz CEHNPWSIGGFGOJ-OAHLLOKOSA-N 0 1 275.327 2.921 20 30 CFEDMN CC[C@H](NCc1cc(C)n[nH]1)c1ccc(C#N)cc1 ZINC000618569238 352813158 /nfs/dbraw/zinc/81/31/58/352813158.db2.gz VMTVMCOTTSJYPJ-HNNXBMFYSA-N 0 1 254.337 2.831 20 30 CFEDMN CC[C@H](NCc1cc(C)ncn1)c1ccc(C#N)cc1 ZINC000618572302 352814628 /nfs/dbraw/zinc/81/46/28/352814628.db2.gz PCSULECTTRXEGH-INIZCTEOSA-N 0 1 266.348 2.898 20 30 CFEDMN CCn1cc(CN[C@@H]2CCc3cc(C#N)ccc32)cn1 ZINC000618743079 352876081 /nfs/dbraw/zinc/87/60/81/352876081.db2.gz VXQKRBONDHLVRS-MRXNPFEDSA-N 0 1 266.348 2.552 20 30 CFEDMN N#Cc1ccc2c(c1)CC[C@H]2NCc1cncs1 ZINC000618741303 352876130 /nfs/dbraw/zinc/87/61/30/352876130.db2.gz DJRYEEAEPCMJQL-CQSZACIVSA-N 0 1 255.346 2.792 20 30 CFEDMN CCc1nn(C)cc1CN[C@@H]1CCc2cc(C#N)ccc21 ZINC000618742757 352876209 /nfs/dbraw/zinc/87/62/09/352876209.db2.gz RHLQDWVBMLGTSZ-QGZVFWFLSA-N 0 1 280.375 2.631 20 30 CFEDMN CC(C)[C@@H](C#N)N1CCN([C@H]2CCc3ccccc32)CC1 ZINC000618752652 352876835 /nfs/dbraw/zinc/87/68/35/352876835.db2.gz OJWJRQNALMHHFF-ZWKOTPCHSA-N 0 1 283.419 2.840 20 30 CFEDMN C=C(Cl)CN[C@@H](C)c1ccc(C(=O)N(C)C)cc1 ZINC000292209931 198203064 /nfs/dbraw/zinc/20/30/64/198203064.db2.gz PYYFDFOOEBXYDP-NSHDSACASA-N 0 1 266.772 2.792 20 30 CFEDMN C[C@H](N[C@H]1CCc2cc(C#N)ccc21)c1ccnn1C ZINC000618804800 352884065 /nfs/dbraw/zinc/88/40/65/352884065.db2.gz CUIJDZZEURHUMF-NHYWBVRUSA-N 0 1 266.348 2.630 20 30 CFEDMN Cc1nccnc1[C@@H](C)N[C@@H]1CCc2cc(C#N)ccc21 ZINC000618805672 352884128 /nfs/dbraw/zinc/88/41/28/352884128.db2.gz OYJOVZRRLJKHTD-MLGOLLRUSA-N 0 1 278.359 2.995 20 30 CFEDMN Cc1n[nH]cc1CNCc1ccc(C#N)c(Cl)c1 ZINC000619748431 353063606 /nfs/dbraw/zinc/06/36/06/353063606.db2.gz LDJPTZCNVCFXML-UHFFFAOYSA-N 0 1 260.728 2.533 20 30 CFEDMN C[C@H](NCc1ccc(C#N)c(Cl)c1)c1cnn(C)c1 ZINC000619754782 353063629 /nfs/dbraw/zinc/06/36/29/353063629.db2.gz KMVAVLYHRQMODJ-JTQLQIEISA-N 0 1 274.755 2.796 20 30 CFEDMN Cc1nc2c(cccc2C(=O)N2CCC[C@](C)(C#N)C2)[nH]1 ZINC000619809532 353067210 /nfs/dbraw/zinc/06/72/10/353067210.db2.gz LIIWMEZXWPJFAR-MRXNPFEDSA-N 0 1 282.347 2.637 20 30 CFEDMN C#CCSCCNCc1cc([N+](=O)[O-])ccc1Cl ZINC000152936955 188054379 /nfs/dbraw/zinc/05/43/79/188054379.db2.gz VGDBSUSPMZQHKI-UHFFFAOYSA-N 0 1 284.768 2.704 20 30 CFEDMN C=C1C[C@H]2CC[C@@H](C1)N2C(=O)c1cc(C(F)(F)F)[nH]n1 ZINC000620303864 353148670 /nfs/dbraw/zinc/14/86/70/353148670.db2.gz HJTDPEVMLQVSME-DTORHVGOSA-N 0 1 285.269 2.752 20 30 CFEDMN C[C@@H](c1ccccn1)N1CC[C@@H](Oc2ccc(C#N)cn2)C1 ZINC000292366763 198261146 /nfs/dbraw/zinc/26/11/46/198261146.db2.gz YJGZOYJXMDRPRQ-DZGCQCFKSA-N 0 1 294.358 2.563 20 30 CFEDMN C=C(C)CNC(=O)[C@@H]1CCCCN1Cc1ccccc1 ZINC000154256056 188131376 /nfs/dbraw/zinc/13/13/76/188131376.db2.gz JLDZMFYCNSLZQS-INIZCTEOSA-N 0 1 272.392 2.733 20 30 CFEDMN C=CCN(C)Cc1cc(OC)c(OCC)c(OC)c1 ZINC000154789162 188161726 /nfs/dbraw/zinc/16/17/26/188161726.db2.gz BSEHMDRFJKZVDM-UHFFFAOYSA-N 0 1 265.353 2.720 20 30 CFEDMN CC(C)C(=O)N1CCCN([C@H](C)c2ccc(C#N)cc2)CC1 ZINC000155076796 188181178 /nfs/dbraw/zinc/18/11/78/188181178.db2.gz WZXMVWKNAGMVST-OAHLLOKOSA-N 0 1 299.418 2.810 20 30 CFEDMN C=C(C)CN(CC)[C@@H](C)C(=O)NCc1ccc(F)cc1 ZINC000155138855 188185669 /nfs/dbraw/zinc/18/56/69/188185669.db2.gz JOZQXOZYUKTLGZ-ZDUSSCGKSA-N 0 1 278.371 2.728 20 30 CFEDMN C[C@H](NCC(=O)NCC1CCCCC1)c1ccc(C#N)cc1 ZINC000271688490 191277246 /nfs/dbraw/zinc/27/72/46/191277246.db2.gz QYQZCXIFPJHSBM-AWEZNQCLSA-N 0 1 299.418 2.905 20 30 CFEDMN C=CC[C@H]1CCN(C(=O)NCc2nc3ccc(C)cc3[nH]2)C1 ZINC000623686091 353706296 /nfs/dbraw/zinc/70/62/96/353706296.db2.gz DKSFJERMSFGKKU-ZDUSSCGKSA-N 0 1 298.390 2.979 20 30 CFEDMN C=CC[C@@H]1CC[N@H+](CC(=O)Nc2ccc(C)cc2)C1 ZINC000625700021 354088454 /nfs/dbraw/zinc/08/84/54/354088454.db2.gz GXUTUOQNBXPUGO-CQSZACIVSA-N 0 1 258.365 2.832 20 30 CFEDMN C=CC[C@@H]1CCN(Cc2ncc(COC)s2)C1 ZINC000628406832 354579769 /nfs/dbraw/zinc/57/97/69/354579769.db2.gz RWCUFTPWAGKFFH-LLVKDONJSA-N 0 1 252.383 2.688 20 30 CFEDMN C=CC[C@@H]1CC[N@H+](Cc2csc(C(=O)[O-])c2)C1 ZINC000629366773 354789731 /nfs/dbraw/zinc/78/97/31/354789731.db2.gz WMFVXMRIYGEYCZ-SNVBAGLBSA-N 0 1 251.351 2.844 20 30 CFEDMN C=C1CC(C)(C(=O)NC[C@@H](c2cccs2)N(C)C)C1 ZINC000630465625 355090041 /nfs/dbraw/zinc/09/00/41/355090041.db2.gz WSLBOKCSLZXIRL-LBPRGKRZSA-N 0 1 278.421 2.823 20 30 CFEDMN C=CCOc1cccc(CN[C@@H](C)[C@H](O)C(F)(F)F)c1 ZINC000631232721 355364157 /nfs/dbraw/zinc/36/41/57/355364157.db2.gz UOGGAHAFAIHOGC-GWCFXTLKSA-N 0 1 289.297 2.653 20 30 CFEDMN C=C1CC(C)(C(=O)NCc2ccc(F)c(CN(C)C)c2)C1 ZINC000631321387 355400865 /nfs/dbraw/zinc/40/08/65/355400865.db2.gz KBMCLCBVCFMVJT-UHFFFAOYSA-N 0 1 290.382 2.860 20 30 CFEDMN C=CCC[C@H](NC(=O)CCc1c[nH]nn1)c1ccccc1 ZINC000632001981 355625545 /nfs/dbraw/zinc/62/55/45/355625545.db2.gz HXYABOAEJWSLGB-HNNXBMFYSA-N 0 1 284.363 2.561 20 30 CFEDMN C=CCC[C@H](NC(=O)CCc1cnn[nH]1)c1ccccc1 ZINC000632001981 355625547 /nfs/dbraw/zinc/62/55/47/355625547.db2.gz HXYABOAEJWSLGB-HNNXBMFYSA-N 0 1 284.363 2.561 20 30 CFEDMN C=CCCC(C)(C)CNC(=O)NCc1cc(C)[nH]n1 ZINC000633043570 355793348 /nfs/dbraw/zinc/79/33/48/355793348.db2.gz PCWFRHJCSYCKIU-UHFFFAOYSA-N 0 1 264.373 2.510 20 30 CFEDMN C=C1CC(C)(C(=O)Nc2ccc(F)c(F)c2O)C1 ZINC000633383739 355883102 /nfs/dbraw/zinc/88/31/02/355883102.db2.gz LPWBHBDALZVUEM-UHFFFAOYSA-N 0 1 253.248 2.965 20 30 CFEDMN C=C1CC(C)(C(=O)N=c2cc(-c3ccc(C)o3)[nH][nH]2)C1 ZINC000633601013 355943240 /nfs/dbraw/zinc/94/32/40/355943240.db2.gz CEFSRFPBIHTQTG-UHFFFAOYSA-N 0 1 271.320 2.695 20 30 CFEDMN N#Cc1ccc(N2CCC(NCc3nccs3)CC2)cc1 ZINC000263840427 283154025 /nfs/dbraw/zinc/15/40/25/283154025.db2.gz GWNODZRPBYKSOM-UHFFFAOYSA-N 0 1 298.415 2.773 20 30 CFEDMN N#Cc1cnc(N[C@H]2CCCc3cn[nH]c32)c(Cl)c1 ZINC000268894206 283237887 /nfs/dbraw/zinc/23/78/87/283237887.db2.gz YUBSPFJBTKFDQA-NSHDSACASA-N 0 1 273.727 2.819 20 30 CFEDMN CCCN(Cc1cccc(F)c1C#N)CC(C)(C)O ZINC000428216671 283295482 /nfs/dbraw/zinc/29/54/82/283295482.db2.gz GHLWJGKQXVHBOP-UHFFFAOYSA-N 0 1 264.344 2.680 20 30 CFEDMN Cc1csc(C(C#N)C(=O)c2cnn(C)c2C2CC2)n1 ZINC000146844984 540356354 /nfs/dbraw/zinc/35/63/54/540356354.db2.gz OGFLQRKIOFFEBS-SNVBAGLBSA-N 0 1 286.360 2.553 20 30 CFEDMN C=CC(C)(C)C(=O)NCc1ccc(F)c(CN(C)C)c1 ZINC000294775735 199177366 /nfs/dbraw/zinc/17/73/66/199177366.db2.gz CEWRWJOYLOWVEX-UHFFFAOYSA-N 0 1 278.371 2.716 20 30 CFEDMN C=CCCOCCN[C@@H](C)c1ccc(Cl)cn1 ZINC000274816802 192789628 /nfs/dbraw/zinc/78/96/28/192789628.db2.gz ZFMGRMKANVDDLO-NSHDSACASA-N 0 1 254.761 2.978 20 30 CFEDMN C=CCN(CC=C)C(=O)[C@@H](C)N[C@@H](C)c1cnccc1C ZINC000679946668 542256233 /nfs/dbraw/zinc/25/62/33/542256233.db2.gz XSWMFDSWDQHETK-LSDHHAIUSA-N 0 1 287.407 2.630 20 30 CFEDMN COC[C@H]1CCCN1CC#Cc1cccc(Cl)c1 ZINC000154491647 540573985 /nfs/dbraw/zinc/57/39/85/540573985.db2.gz AGPXRSMCADISEV-OAHLLOKOSA-N 0 1 263.768 2.802 20 30 CFEDMN C=CCCCCCN(C)C(=O)NCc1n[nH]c(C(C)C)n1 ZINC000298158052 200347436 /nfs/dbraw/zinc/34/74/36/200347436.db2.gz PPOCFKFXTFIVSR-UHFFFAOYSA-N 0 1 293.415 2.816 20 30 CFEDMN CCCN(Cc1cncn1C)Cc1ccc(C#N)cc1 ZINC000177010837 189020822 /nfs/dbraw/zinc/02/08/22/189020822.db2.gz SVXNUGZKZPAVBJ-UHFFFAOYSA-N 0 1 268.364 2.704 20 30 CFEDMN CN(CC#Cc1ccc(Cl)cc1)C[C@@H]1CCCO1 ZINC000177103000 189028555 /nfs/dbraw/zinc/02/85/55/189028555.db2.gz LHUSCIOQQPSZBL-HNNXBMFYSA-N 0 1 263.768 2.802 20 30 CFEDMN CC1(O)CCN(CC#Cc2ccc(Cl)cc2)CC1 ZINC000177305920 189043322 /nfs/dbraw/zinc/04/33/22/189043322.db2.gz RSYCQFPPDMKREX-UHFFFAOYSA-N 0 1 263.768 2.538 20 30 CFEDMN C[C@H](N(C)CC(=O)Nc1sccc1C#N)C1(C)CC1 ZINC000177233081 189038073 /nfs/dbraw/zinc/03/80/73/189038073.db2.gz BNEYDEXTQOAHSU-JTQLQIEISA-N 0 1 277.393 2.679 20 30 CFEDMN COC(=O)[C@]1(C)CCN(CC#Cc2ccc(Cl)cc2)C1 ZINC000177431876 189050393 /nfs/dbraw/zinc/05/03/93/189050393.db2.gz WXUZRZGBECAKSD-MRXNPFEDSA-N 0 1 291.778 2.577 20 30 CFEDMN C=C[C@H](CC(=O)N1[C@H](C)CN(C)C[C@@H]1C)c1ccccc1 ZINC000179570973 189203184 /nfs/dbraw/zinc/20/31/84/189203184.db2.gz IPLPJFHDXAMPFG-OWCLPIDISA-N 0 1 286.419 2.897 20 30 CFEDMN C#CCCCCC(=O)NC[C@H](c1cccc(F)c1)N(C)C ZINC000179658429 189211114 /nfs/dbraw/zinc/21/11/14/189211114.db2.gz LJLNRNMYJDFYFG-MRXNPFEDSA-N 0 1 290.382 2.738 20 30 CFEDMN CCOC(=O)c1cccc(-c2cc3[nH]cnc3c(C#N)n2)c1 ZINC001243038820 781943299 /nfs/dbraw/zinc/94/32/99/781943299.db2.gz VUIXVQZTHOYLTM-UHFFFAOYSA-N 0 1 292.298 2.673 20 30 CFEDMN COC[C@@H](NCCOc1cccc(C#N)c1)c1ccco1 ZINC000184514638 189388504 /nfs/dbraw/zinc/38/85/04/189388504.db2.gz LYBHRLPATIUFEE-OAHLLOKOSA-N 0 1 286.331 2.507 20 30 CFEDMN CN(C)Cc1ccc(CNc2ccc(C#N)cn2)cc1F ZINC000301850084 201232699 /nfs/dbraw/zinc/23/26/99/201232699.db2.gz ARYMJJRGBGSOKL-UHFFFAOYSA-N 0 1 284.338 2.766 20 30 CFEDMN Cc1[nH+]ccn1CC[N@@H+](C)[C@H](C)c1cccc(C#N)c1 ZINC000425538960 239094698 /nfs/dbraw/zinc/09/46/98/239094698.db2.gz SXVGORYXAQSKEN-CYBMUJFWSA-N 0 1 268.364 2.756 20 30 CFEDMN N#Cc1ccc(C[NH2+][C@H](C(=O)[O-])c2cccs2)cc1 ZINC000426797434 239264163 /nfs/dbraw/zinc/26/41/63/239264163.db2.gz BHMBGIHQYDNBBP-ZDUSSCGKSA-N 0 1 272.329 2.535 20 30 CFEDMN C=CCN(CCc1ccco1)Cc1cnc(C)n1C ZINC000667947071 541348205 /nfs/dbraw/zinc/34/82/05/541348205.db2.gz FNQKOEIAABTWOP-UHFFFAOYSA-N 0 1 259.353 2.552 20 30 CFEDMN Cc1ccc([C@H](C)NCc2cc(C#N)n(C)c2)cc1[N+](=O)[O-] ZINC000191290484 189590433 /nfs/dbraw/zinc/59/04/33/189590433.db2.gz RVWLIFGOIOKHIK-LBPRGKRZSA-N 0 1 298.346 2.964 20 30 CFEDMN COCCN(Cc1ccccc1C#N)[C@@H]1CCCSC1 ZINC000433198033 240125501 /nfs/dbraw/zinc/12/55/01/240125501.db2.gz VQGGJDUGBFPRGX-MRXNPFEDSA-N 0 1 290.432 2.902 20 30 CFEDMN CCCn1ccc(C=C(C)c2nc(C)c(C#N)c(=O)[nH]2)c1 ZINC000435337425 240304622 /nfs/dbraw/zinc/30/46/22/240304622.db2.gz VWZZIHRWIAPRGN-DHZHZOJOSA-N 0 1 282.347 2.722 20 30 CFEDMN C=CCOCCN[C@H](COC)c1cccc(Cl)c1F ZINC000672607885 541444398 /nfs/dbraw/zinc/44/43/98/541444398.db2.gz PHCVYPTXYCEPDK-CYBMUJFWSA-N 0 1 287.762 2.959 20 30 CFEDMN C=C(C)CNCc1ccc(OC)c(O)c1Br ZINC000275825491 193139026 /nfs/dbraw/zinc/13/90/26/193139026.db2.gz FSLZEGVFAQHVOG-UHFFFAOYSA-N 0 1 286.169 2.829 20 30 CFEDMN C[C@H](O)[C@@H]1C[C@H](C)CCN1Cc1cccc(C#N)c1F ZINC000443340342 241054621 /nfs/dbraw/zinc/05/46/21/241054621.db2.gz ASDLNCHWORFMCG-XUJVJEKNSA-N 0 1 276.355 2.679 20 30 CFEDMN C=C(C)CN(CC)C(=O)Nc1cnn(-c2ccncc2)c1 ZINC000673863645 541519286 /nfs/dbraw/zinc/51/92/86/541519286.db2.gz JRCZZEMNNUASSP-UHFFFAOYSA-N 0 1 285.351 2.697 20 30 CFEDMN C[C@H]1C[C@@H]1CN1CCN(c2ccc(C#N)cc2Cl)CC1 ZINC000446915861 241337887 /nfs/dbraw/zinc/33/78/87/241337887.db2.gz HFPGVSRVVMKCND-GXTWGEPZSA-N 0 1 289.810 2.990 20 30 CFEDMN OCCCN(CC#Cc1ccc(C(F)(F)F)cc1)C1CC1 ZINC000674250474 541551276 /nfs/dbraw/zinc/55/12/76/541551276.db2.gz AMHQCGBSELURPW-UHFFFAOYSA-N 0 1 297.320 2.904 20 30 CFEDMN COC[C@H]1CCCCN1Cc1cn2ccccc2c1C#N ZINC000452031469 243014576 /nfs/dbraw/zinc/01/45/76/243014576.db2.gz SGJPCOFLDSDRMR-OAHLLOKOSA-N 0 1 283.375 2.812 20 30 CFEDMN COC[C@@H]1CCCN(Cc2cccc(F)c2C#N)CC1 ZINC000452101266 243045716 /nfs/dbraw/zinc/04/57/16/243045716.db2.gz JGHVECZEYSDIEN-CYBMUJFWSA-N 0 1 276.355 2.946 20 30 CFEDMN C=CCNC(=O)CN1CCc2ccccc2[C@@H]1C(C)C ZINC000675642762 541675753 /nfs/dbraw/zinc/67/57/53/541675753.db2.gz NCYZIPHHHKPHAU-KRWDZBQOSA-N 0 1 272.392 2.544 20 30 CFEDMN CCCN1CCC[C@@H]1C(=O)Nc1cc(C)cc(C#N)c1 ZINC000456966359 244338410 /nfs/dbraw/zinc/33/84/10/244338410.db2.gz NMBLBZZXHJHDOW-OAHLLOKOSA-N 0 1 271.364 2.680 20 30 CFEDMN C=CCCN(C)[C@H](C)C(=O)Nc1ccccc1OCC ZINC000276432189 193328219 /nfs/dbraw/zinc/32/82/19/193328219.db2.gz NNOZAWWQFLJVNF-CYBMUJFWSA-N 0 1 276.380 2.920 20 30 CFEDMN C=CCCN(C)[C@H](C)C(=O)Nc1oc(C)c(C)c1C#N ZINC000276484687 193351592 /nfs/dbraw/zinc/35/15/92/193351592.db2.gz TYXCVQISQQEOAZ-LLVKDONJSA-N 0 1 275.352 2.603 20 30 CFEDMN CCC#C[C@H](C)N1CCN(Cc2ccccc2)CC1 ZINC000677047498 541813832 /nfs/dbraw/zinc/81/38/32/541813832.db2.gz CJDVDOZGRCVQLC-INIZCTEOSA-N 0 1 256.393 2.606 20 30 CFEDMN CCN(CC#CCOC)Cc1cccc(Cl)c1 ZINC000677133452 541826628 /nfs/dbraw/zinc/82/66/28/541826628.db2.gz WKUOCRWXKGUFCL-UHFFFAOYSA-N 0 1 251.757 2.812 20 30 CFEDMN COc1cc(CN2CC3(C2)CCCC3)ccc1C#N ZINC000459568043 245221218 /nfs/dbraw/zinc/22/12/18/245221218.db2.gz WKLIGMSMZRWHBL-UHFFFAOYSA-N 0 1 256.349 2.943 20 30 CFEDMN N#Cc1cc(Cl)ccc1CNC1(CO)CCSCC1 ZINC000459692451 245275029 /nfs/dbraw/zinc/27/50/29/245275029.db2.gz HHENMMAIGZLSTH-UHFFFAOYSA-N 0 1 296.823 2.559 20 30 CFEDMN CCOC[C@@H]1CCCCN1Cc1ccc(C#N)cc1OC ZINC000459698443 245277633 /nfs/dbraw/zinc/27/76/33/245277633.db2.gz CBVODVIROFYZET-INIZCTEOSA-N 0 1 288.391 2.958 20 30 CFEDMN C[C@H]1CCC[C@@](C#N)(NC(=O)c2n[nH]c3ccccc32)C1 ZINC000116810252 376206834 /nfs/dbraw/zinc/20/68/34/376206834.db2.gz WFOOYWBMBRGTFE-MEDUHNTESA-N 0 1 282.347 2.765 20 30 CFEDMN CCN1CCN([C@H](C#N)c2ccc(Cl)cc2)CC1 ZINC000019934436 372211880 /nfs/dbraw/zinc/21/18/80/372211880.db2.gz HWLZISXSKCTWHH-CQSZACIVSA-N 0 1 263.772 2.542 20 30 CFEDMN CN(CCc1ccccn1)Cc1ccccc1C#N ZINC000019844111 372198530 /nfs/dbraw/zinc/19/85/30/372198530.db2.gz KSNBDPLCMVXVLE-UHFFFAOYSA-N 0 1 251.333 2.628 20 30 CFEDMN C=CCNC(=O)[C@@H](C)N[C@@H](C)c1cccc(Cl)c1 ZINC000037978053 372746520 /nfs/dbraw/zinc/74/65/20/372746520.db2.gz QTURQVBCMNUQID-WDEREUQCSA-N 0 1 266.772 2.681 20 30 CFEDMN C=CCOc1ccccc1CNCc1c[nH]nc1C ZINC000037989211 372751867 /nfs/dbraw/zinc/75/18/67/372751867.db2.gz GMCSEHAUPUECTO-UHFFFAOYSA-N 0 1 257.337 2.573 20 30 CFEDMN C=CCN(CC=C)C(=O)[C@H](C)N1CCc2ccccc2C1 ZINC000042242158 372894067 /nfs/dbraw/zinc/89/40/67/372894067.db2.gz FDFRWAVADUMVBM-HNNXBMFYSA-N 0 1 284.403 2.634 20 30 CFEDMN CCN(CCCOc1cccc(C#N)c1)C[C@H](C)C#N ZINC000042447149 372923743 /nfs/dbraw/zinc/92/37/43/372923743.db2.gz MGHYDXFGHRJTGO-CQSZACIVSA-N 0 1 271.364 2.809 20 30 CFEDMN COCCN(Cc1cc(C#N)ccc1F)CC(C)C ZINC000047848438 373122030 /nfs/dbraw/zinc/12/20/30/373122030.db2.gz VMRLBQHWGWKELK-UHFFFAOYSA-N 0 1 264.344 2.802 20 30 CFEDMN CCCN(C)[C@H](C)C(=O)Nc1ccc(C#N)c(Cl)c1 ZINC000049480500 373303439 /nfs/dbraw/zinc/30/34/39/373303439.db2.gz LITOYZIHZMAPTR-SNVBAGLBSA-N 0 1 279.771 2.880 20 30 CFEDMN CC[C@@H](CC#N)N[C@@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC000054184047 373504694 /nfs/dbraw/zinc/50/46/94/373504694.db2.gz BLZGFAYUUBRAMD-QWHCGFSZSA-N 0 1 281.400 2.668 20 30 CFEDMN COc1cc(CN[C@@H](C)c2cccc(C#N)c2)ccn1 ZINC000062058128 373744800 /nfs/dbraw/zinc/74/48/00/373744800.db2.gz JZGNKFTWHJDEIV-LBPRGKRZSA-N 0 1 267.332 2.813 20 30 CFEDMN C#CCN1CCC(C(=O)N(CC)[C@H]2CCCC[C@@H]2C)CC1 ZINC000066414409 373929558 /nfs/dbraw/zinc/92/95/58/373929558.db2.gz ITMPUXFJUZMUGN-RDJZCZTQSA-N 0 1 290.451 2.759 20 30 CFEDMN C=C[C@@H]1OCC[C@H]1C(=O)Nc1cc(Cl)c(O)cc1F ZINC000574489606 335023464 /nfs/dbraw/zinc/02/34/64/335023464.db2.gz UMWFKQCQMGSVRQ-KRTXAFLBSA-N 0 1 285.702 2.714 20 30 CFEDMN CC(C)(C)OC(=O)NC[C@H]1CCCCN1CCCC#N ZINC000072050595 374233787 /nfs/dbraw/zinc/23/37/87/374233787.db2.gz HEFHVLAQYUBPHO-CYBMUJFWSA-N 0 1 281.400 2.669 20 30 CFEDMN CC(C)CCN(CCC#N)C(=O)c1cc(C(C)C)[nH]n1 ZINC000264130846 383699058 /nfs/dbraw/zinc/69/90/58/383699058.db2.gz YPWQXBDAEZYFNJ-UHFFFAOYSA-N 0 1 276.384 2.935 20 30 CFEDMN C[C@@H](CNc1ccc(C#N)cn1)N1CCc2sccc2C1 ZINC000073588043 374353906 /nfs/dbraw/zinc/35/39/06/374353906.db2.gz QQITYGYYKWGJLR-LBPRGKRZSA-N 0 1 298.415 2.873 20 30 CFEDMN C=C(C)CN(CC)C(=O)[C@H](C)N1CCC(C)(F)CC1 ZINC000640070458 383699878 /nfs/dbraw/zinc/69/98/78/383699878.db2.gz ICBMPLHSSYAMOZ-ZDUSSCGKSA-N 0 1 270.392 2.624 20 30 CFEDMN N#CCSCCCN1CCN(c2ccccc2F)CC1 ZINC000074981485 374453371 /nfs/dbraw/zinc/45/33/71/374453371.db2.gz INDCOAOAEKQMEF-UHFFFAOYSA-N 0 1 293.411 2.595 20 30 CFEDMN CC1(C)[C@@H]2CN(Cc3nnc(-c4ccc(C#N)cc4)o3)C[C@@H]21 ZINC000075768437 374503226 /nfs/dbraw/zinc/50/32/26/374503226.db2.gz HGXDAXNDFYCCMT-OKILXGFUSA-N 0 1 294.358 2.696 20 30 CFEDMN CC(C)N(Cc1nnc(-c2ccc(C#N)cc2)o1)C1CC1 ZINC000075637419 374497722 /nfs/dbraw/zinc/49/77/22/374497722.db2.gz HBKXOPUWYAOUQO-UHFFFAOYSA-N 0 1 282.347 2.981 20 30 CFEDMN C=CCCCN(C)CC(=O)Nc1cc(C)nn1C(C)(C)C ZINC000076736479 374556810 /nfs/dbraw/zinc/55/68/10/374556810.db2.gz UJXIEYZHQRUWOL-UHFFFAOYSA-N 0 1 292.427 2.783 20 30 CFEDMN C=CCCCN(C)CC(=O)N(CCC#N)c1ccccc1 ZINC000076801793 374558566 /nfs/dbraw/zinc/55/85/66/374558566.db2.gz BLBVTWAMGFRGBN-UHFFFAOYSA-N 0 1 285.391 2.831 20 30 CFEDMN C=CCCCN(C)[C@@H](C)C(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000076801879 374558895 /nfs/dbraw/zinc/55/88/95/374558895.db2.gz MRKRZDSAFRDYDL-LBPRGKRZSA-N 0 1 291.351 2.820 20 30 CFEDMN Cc1cccc2nc(CCC(=O)N[C@@H](C#N)C(C)(C)C)[nH]c21 ZINC000085437157 374801651 /nfs/dbraw/zinc/80/16/51/374801651.db2.gz ZFNIEGNCWHLQFO-ZDUSSCGKSA-N 0 1 298.390 2.858 20 30 CFEDMN C[C@@H]1CC[C@@H](C)N(CC(=O)Nc2cccc(C#N)c2)C1 ZINC000088704463 374859021 /nfs/dbraw/zinc/85/90/21/374859021.db2.gz HXINUHRRQUQQNS-CHWSQXEVSA-N 0 1 271.364 2.617 20 30 CFEDMN CC[C@@H](CSC)N(C)CC(=O)Nc1sccc1C#N ZINC000091098394 375042480 /nfs/dbraw/zinc/04/24/80/375042480.db2.gz DFYJKTSHOGRPPE-NSHDSACASA-N 0 1 297.449 2.632 20 30 CFEDMN C#CCNC(=O)[C@H](C)NC(c1ccccc1)c1ccccc1 ZINC000097056501 375506045 /nfs/dbraw/zinc/50/60/45/375506045.db2.gz GDYSQBVJDIPSAZ-HNNXBMFYSA-N 0 1 292.382 2.504 20 30 CFEDMN COCc1ccc(C(=O)C(C#N)c2nc3ccccc3[nH]2)o1 ZINC000097261612 375546471 /nfs/dbraw/zinc/54/64/71/375546471.db2.gz OESFSDDPUIWTPC-NSHDSACASA-N 0 1 295.298 2.792 20 30 CFEDMN N#Cc1cccc(NC(=O)C[N@H+]2CCC[C@H]2C2CCC2)c1 ZINC000102926695 375702391 /nfs/dbraw/zinc/70/23/91/375702391.db2.gz XDPHPWIXMJDVND-INIZCTEOSA-N 0 1 283.375 2.761 20 30 CFEDMN N#Cc1cc(F)ccc1CSc1nc(C2CC2)n[nH]1 ZINC000102972125 375705145 /nfs/dbraw/zinc/70/51/45/375705145.db2.gz DLZYMLLHWXDNRH-UHFFFAOYSA-N 0 1 274.324 2.985 20 30 CFEDMN N#Cc1cc(F)ccc1CSc1n[nH]c(C2CC2)n1 ZINC000102972125 375705149 /nfs/dbraw/zinc/70/51/49/375705149.db2.gz DLZYMLLHWXDNRH-UHFFFAOYSA-N 0 1 274.324 2.985 20 30 CFEDMN C#CCN1CCC(C(=O)N(C(C)C)C2CCCC2)CC1 ZINC000103370631 375734579 /nfs/dbraw/zinc/73/45/79/375734579.db2.gz CDEOIRUMXWNMBR-UHFFFAOYSA-N 0 1 276.424 2.511 20 30 CFEDMN C[C@H](CC#N)N(C)C(=O)c1cc(-c2ccc(F)cc2)[nH]n1 ZINC000103442515 375746925 /nfs/dbraw/zinc/74/69/25/375746925.db2.gz QJOPYCDWZNFPMF-SNVBAGLBSA-N 0 1 286.310 2.590 20 30 CFEDMN C=CC1CCN([C@@H]2CCN(c3ccc(C#N)cc3)C2=O)CC1 ZINC000111260205 375835573 /nfs/dbraw/zinc/83/55/73/375835573.db2.gz GERUDIHFMXZQTI-QGZVFWFLSA-N 0 1 295.386 2.562 20 30 CFEDMN C=CC1CCN([C@H](C)C(=O)NC2(C#N)CCCCC2)CC1 ZINC000111257795 375836596 /nfs/dbraw/zinc/83/65/96/375836596.db2.gz AXGFRWDDJGPHCD-CQSZACIVSA-N 0 1 289.423 2.616 20 30 CFEDMN COCC#CCN[C@@H](C)c1ccc(OCC2CC2)c(F)c1 ZINC000678796211 542071292 /nfs/dbraw/zinc/07/12/92/542071292.db2.gz OSNOWKSXKDGTOC-ZDUSSCGKSA-N 0 1 291.366 2.915 20 30 CFEDMN C=CC[C@H](C)NC(=O)NC[C@H](c1ccco1)N1CCCC1 ZINC000116933185 376215443 /nfs/dbraw/zinc/21/54/43/376215443.db2.gz IXQWRCLGLLCVEE-UONOGXRCSA-N 0 1 291.395 2.680 20 30 CFEDMN C[C@H](NCc1ccc(C#N)o1)c1ccc(-n2ccnn2)cc1 ZINC000119937966 376508160 /nfs/dbraw/zinc/50/81/60/376508160.db2.gz WLYYQJDLFMWLAG-LBPRGKRZSA-N 0 1 293.330 2.583 20 30 CFEDMN COc1cc(C#N)ccc1CN(C)C[C@@H]1CCCCO1 ZINC000120690574 376669079 /nfs/dbraw/zinc/66/90/79/376669079.db2.gz DDLYNDLUFBLMIW-HNNXBMFYSA-N 0 1 274.364 2.568 20 30 CFEDMN CC(C)N(Cc1ccc(C#N)cc1)C[C@H](O)C(F)(F)F ZINC000121088074 376758430 /nfs/dbraw/zinc/75/84/30/376758430.db2.gz WTFKNFBPPVHMJM-ZDUSSCGKSA-N 0 1 286.297 2.692 20 30 CFEDMN C=CCC[C@H](O)CN(C)Cc1ccc(Br)o1 ZINC000122819959 376939676 /nfs/dbraw/zinc/93/96/76/376939676.db2.gz XBPLEMAGKOGARY-JTQLQIEISA-N 0 1 288.185 2.801 20 30 CFEDMN COc1ccc(-c2n[nH]cc2CN2CCC(C#N)CC2)cc1 ZINC000123774750 376980403 /nfs/dbraw/zinc/98/04/03/376980403.db2.gz ULSWCQTXJRYVOB-UHFFFAOYSA-N 0 1 296.374 2.821 20 30 CFEDMN C=CCC[C@@H](O)CN1C[C@H](C)O[C@@H](c2ccccc2)C1 ZINC000123851253 376988713 /nfs/dbraw/zinc/98/87/13/376988713.db2.gz FSCODNZUXHOUEI-USXIJHARSA-N 0 1 275.392 2.776 20 30 CFEDMN COc1ccc(C#N)cc1CN1CCS[C@H](C)[C@H]1C ZINC000125246050 377133962 /nfs/dbraw/zinc/13/39/62/377133962.db2.gz HAGGXENIVFABFW-VXGBXAGGSA-N 0 1 276.405 2.893 20 30 CFEDMN C=C(C)CN(CC)[C@H](C)C(=O)NCc1ccccc1F ZINC000125953894 377203510 /nfs/dbraw/zinc/20/35/10/377203510.db2.gz GAYQWDYUMBXVEA-CYBMUJFWSA-N 0 1 278.371 2.728 20 30 CFEDMN CC#CCN(C)C[C@H](O)COc1ccc2ccccc2c1 ZINC000571705044 383720001 /nfs/dbraw/zinc/72/00/01/383720001.db2.gz LGPCSUICBMYVKA-KRWDZBQOSA-N 0 1 283.371 2.535 20 30 CFEDMN C=CCOc1ccccc1CN1CCN(C2CC2)CC1 ZINC000127911785 377308041 /nfs/dbraw/zinc/30/80/41/377308041.db2.gz KGDTVSNTBSEMCY-UHFFFAOYSA-N 0 1 272.392 2.531 20 30 CFEDMN CC(C)[C@](C)(C#N)NC(=O)CN1CCC2(C1)CCCCC2 ZINC000129956784 377493940 /nfs/dbraw/zinc/49/39/40/377493940.db2.gz OHJDFBDDWCPVDN-INIZCTEOSA-N 0 1 291.439 2.697 20 30 CFEDMN CCN(C)C(=O)CCN1CCC[C@H]1[C@@H](C#N)c1ccccc1 ZINC000130579678 377579986 /nfs/dbraw/zinc/57/99/86/377579986.db2.gz WUKGCKWIZORSLX-IRXDYDNUSA-N 0 1 299.418 2.627 20 30 CFEDMN C#CCN[C@H](C)c1ccc(Br)cc1F ZINC000131881455 377771767 /nfs/dbraw/zinc/77/17/67/377771767.db2.gz WQYCYBWDUIQMJV-MRVPVSSYSA-N 0 1 256.118 2.872 20 30 CFEDMN Cc1cc(C[C@@H](C)Nc2ccc(Cl)c(C#N)n2)[nH]n1 ZINC000133488051 377934093 /nfs/dbraw/zinc/93/40/93/377934093.db2.gz QEARFHKUHQIGLH-MRVPVSSYSA-N 0 1 275.743 2.681 20 30 CFEDMN CC(C)C(N)=NOCc1coc(-c2cccs2)n1 ZINC000133627683 377944627 /nfs/dbraw/zinc/94/46/27/377944627.db2.gz SJSHDYWMZMDUKW-UHFFFAOYSA-N 0 1 265.338 2.848 20 30 CFEDMN C=CCNc1ccccc1CN1C[C@H](C)O[C@@H](C)C1 ZINC000133079297 377901776 /nfs/dbraw/zinc/90/17/76/377901776.db2.gz XEEIPICBKIULCY-KBPBESRZSA-N 0 1 260.381 2.894 20 30 CFEDMN C[C@@H](N[C@@H](C)c1cccc(C#N)c1)C(=O)NC(C)(C)C ZINC000134804548 378050617 /nfs/dbraw/zinc/05/06/17/378050617.db2.gz YMOBQNCBZYVVJD-NWDGAFQWSA-N 0 1 273.380 2.512 20 30 CFEDMN C[C@H](NCc1ccc(F)c(C#N)c1)c1cccnc1 ZINC000136238002 378190668 /nfs/dbraw/zinc/19/06/68/378190668.db2.gz IVYBWQVGTLYQIB-NSHDSACASA-N 0 1 255.296 2.943 20 30 CFEDMN C[C@@H]1CCC[C@H](CNC(=O)[C@@H]2CCc3[nH]nnc3C2)C1 ZINC000328966795 378446061 /nfs/dbraw/zinc/44/60/61/378446061.db2.gz STFSBTDOHFFBET-GRYCIOLGSA-N 0 1 276.384 2.692 20 30 CFEDMN C[C@@H]1CCC[C@H](CNC(=O)[C@@H]2CCc3nn[nH]c3C2)C1 ZINC000328966795 378446067 /nfs/dbraw/zinc/44/60/67/378446067.db2.gz STFSBTDOHFFBET-GRYCIOLGSA-N 0 1 276.384 2.692 20 30 CFEDMN Cc1cc(N=C([O-])CC[C@H]2CCCC[N@H+]2C)cn(C)c1=O ZINC000329319821 378453259 /nfs/dbraw/zinc/45/32/59/378453259.db2.gz DSYZTNHQBMLUNK-CQSZACIVSA-N 0 1 291.395 2.546 20 30 CFEDMN Cc1n[nH]c(C(C)C)c1C(=O)NCc1nnc(C2CC2)o1 ZINC000329322883 378454361 /nfs/dbraw/zinc/45/43/61/378454361.db2.gz FOMZWTNZXAGVDB-UHFFFAOYSA-N 0 1 289.339 2.607 20 30 CFEDMN C[C@@H]1CCCC[C@@H]1OCC(=O)NC1(c2nnc[nH]2)CCC1 ZINC000329359186 378458473 /nfs/dbraw/zinc/45/84/73/378458473.db2.gz XKGKATJEVRURKM-NEPJUHHUSA-N 0 1 292.383 2.736 20 30 CFEDMN CC1(C)CCC[C@@H]1CNC(=O)[C@@H]1CCc2[nH]nnc2C1 ZINC000329463430 378461885 /nfs/dbraw/zinc/46/18/85/378461885.db2.gz QOEMOJFQFODSPG-GHMZBOCLSA-N 0 1 276.384 2.692 20 30 CFEDMN CC1(C)CCC[C@@H]1CNC(=O)[C@@H]1CCc2nn[nH]c2C1 ZINC000329463430 378461892 /nfs/dbraw/zinc/46/18/92/378461892.db2.gz QOEMOJFQFODSPG-GHMZBOCLSA-N 0 1 276.384 2.692 20 30 CFEDMN O=C(Nc1nc(C2CCC2)n[nH]1)[C@H]1CCCSC1 ZINC000329580163 378465038 /nfs/dbraw/zinc/46/50/38/378465038.db2.gz PPWHJILGGRCJLC-VIFPVBQESA-N 0 1 266.370 2.803 20 30 CFEDMN O=C(Nc1n[nH]c(C2CCC2)n1)[C@H]1CCCSC1 ZINC000329580163 378465042 /nfs/dbraw/zinc/46/50/42/378465042.db2.gz PPWHJILGGRCJLC-VIFPVBQESA-N 0 1 266.370 2.803 20 30 CFEDMN CCc1nc([C@H](C)NC(=O)[C@H]2CCCSC2)n[nH]1 ZINC000329591857 378466535 /nfs/dbraw/zinc/46/65/35/378466535.db2.gz UEMDXEDIIWCWSR-IUCAKERBSA-N 0 1 268.386 2.528 20 30 CFEDMN CN(C)c1nc2ccc(NC(=O)C[C@H]3CCOC3)cc2[nH]1 ZINC000328771388 378422756 /nfs/dbraw/zinc/42/27/56/378422756.db2.gz RFVQYHJZHPNCRL-SNVBAGLBSA-N 0 1 288.351 2.644 20 30 CFEDMN Cc1ncncc1C(=O)N[C@@H]1CCN(C)[C@@H]1c1ccccc1 ZINC000328804845 378427595 /nfs/dbraw/zinc/42/75/95/378427595.db2.gz BTHXQNYYCYXZJP-HZPDHXFCSA-N 0 1 296.374 2.535 20 30 CFEDMN C[C@@H]1CCC[C@](C#N)(NC(=O)CN(C)[C@H]2CCSC2)C1 ZINC000328800363 378427760 /nfs/dbraw/zinc/42/77/60/378427760.db2.gz IGTZNYKKLGWYMC-IPYPFGDCSA-N 0 1 295.452 2.853 20 30 CFEDMN Cc1nc(C(C)C)oc1C(=O)N[C@H]1CCc2nc[nH]c2C1 ZINC000328921252 378440796 /nfs/dbraw/zinc/44/07/96/378440796.db2.gz MCEPDBHWARDPKS-JTQLQIEISA-N 0 1 288.351 2.692 20 30 CFEDMN CN1CCCC(C)(C)[C@@H]1CNC(=O)c1conc1C1CC1 ZINC000329733908 378489777 /nfs/dbraw/zinc/48/97/77/378489777.db2.gz RAYBNKRBSDPHFD-ZDUSSCGKSA-N 0 1 291.395 2.977 20 30 CFEDMN CC[C@@H]1CCC[C@H]([NH+]=C([O-])N[C@H]2CCc3c[nH]nc3C2)C1 ZINC000329824609 378501755 /nfs/dbraw/zinc/50/17/55/378501755.db2.gz HVAAQLFJFNUJJF-XBFCOCLRSA-N 0 1 290.411 2.739 20 30 CFEDMN CC[C@@H]1CCC[C@H](NC([O-])=[NH+][C@H]2CCc3c[nH]nc3C2)C1 ZINC000329824609 378501758 /nfs/dbraw/zinc/50/17/58/378501758.db2.gz HVAAQLFJFNUJJF-XBFCOCLRSA-N 0 1 290.411 2.739 20 30 CFEDMN N#Cc1cc(N2CCN(C3CC3)CC2)ccc1C(F)(F)F ZINC000154082384 378537888 /nfs/dbraw/zinc/53/78/88/378537888.db2.gz DIRQQSXWXVFUKS-UHFFFAOYSA-N 0 1 295.308 2.861 20 30 CFEDMN CC(C)C[C@@](C)(C#N)NC(=O)c1ccc2cncn2c1 ZINC000330475652 378565565 /nfs/dbraw/zinc/56/55/65/378565565.db2.gz UBRPDOSOEQKIMI-HNNXBMFYSA-N 0 1 270.336 2.967 20 30 CFEDMN CCC[C@H](NC(=O)c1cnn[nH]1)C1CCCCC1 ZINC000330512247 378574275 /nfs/dbraw/zinc/57/42/75/378574275.db2.gz FVURDMJLVPIFMJ-NSHDSACASA-N 0 1 250.346 2.858 20 30 CFEDMN C#CCN(Cc1cnn(C)c1C(F)(F)F)C1CCCC1 ZINC000155806085 378632566 /nfs/dbraw/zinc/63/25/66/378632566.db2.gz CWVBCTYQBZJWRO-UHFFFAOYSA-N 0 1 285.313 2.817 20 30 CFEDMN C[C@@H]1CC[C@@H](C)N1CC(=O)Nc1ccc(F)c(C#N)c1 ZINC000330993405 378611553 /nfs/dbraw/zinc/61/15/53/378611553.db2.gz ZCDILINKNZWFFR-GHMZBOCLSA-N 0 1 275.327 2.509 20 30 CFEDMN CC(C)C(=O)N[C@@H]1CCCN([C@H](C)c2cccc(C#N)c2)C1 ZINC000331285043 378662534 /nfs/dbraw/zinc/66/25/34/378662534.db2.gz XNWYRHPPJGMMDC-RHSMWYFYSA-N 0 1 299.418 2.856 20 30 CFEDMN CC1(C)CC[C@H]1N[C@H](C(N)=O)c1ccc(C#N)cc1 ZINC000332450574 378765369 /nfs/dbraw/zinc/76/53/69/378765369.db2.gz MGIQLBWBLNCJCU-OLZOCXBDSA-N 0 1 257.337 2.913 20 30 CFEDMN C=C[C@H]1CCCCN1C(=O)c1[nH]nc2ccccc21 ZINC000335307799 379053907 /nfs/dbraw/zinc/05/39/07/379053907.db2.gz GJOJYWJLDOWURX-NSHDSACASA-N 0 1 255.321 2.744 20 30 CFEDMN C[C@@H](C#N)C(=O)Nc1ccc2nc(C(F)F)[nH]c2c1 ZINC000335311581 379063725 /nfs/dbraw/zinc/06/37/25/379063725.db2.gz XYKCHXORFDUTJY-LURJTMIESA-N 0 1 264.235 2.599 20 30 CFEDMN N#Cc1cccc(CN2CCC[C@H]2[C@@H]2CCCO2)c1F ZINC000335316143 379072313 /nfs/dbraw/zinc/07/23/13/379072313.db2.gz IIFGQDQHAMGCDK-GJZGRUSLSA-N 0 1 274.339 2.841 20 30 CFEDMN C=C[C@@H]1CCCCN1C(=O)c1cccc2c[nH]nc21 ZINC000334342761 379125523 /nfs/dbraw/zinc/12/55/23/379125523.db2.gz KZVMKMBQBPQXQV-GFCCVEGCSA-N 0 1 255.321 2.744 20 30 CFEDMN CCn1cc([C@@H](C)NCc2ccc(F)c(C#N)c2)cn1 ZINC000451897514 383734623 /nfs/dbraw/zinc/73/46/23/383734623.db2.gz UJMNHOFGXOQOJG-LLVKDONJSA-N 0 1 272.327 2.765 20 30 CFEDMN COc1cccc2c1CCN([C@H]1CC[C@H](C#N)C1)C2 ZINC000334372641 379180129 /nfs/dbraw/zinc/18/01/29/379180129.db2.gz RUPICXPFVSBEER-JSGCOSHPSA-N 0 1 256.349 2.746 20 30 CFEDMN CC[C@@]1(O)CCN(Cc2ccc(C#N)cc2Cl)C1 ZINC000334374188 379181862 /nfs/dbraw/zinc/18/18/62/379181862.db2.gz CRNAWSXWVGNIEL-CQSZACIVSA-N 0 1 264.756 2.558 20 30 CFEDMN C#CC[C@H](N[C@H](C)c1ccnn1C)c1ccccc1 ZINC000278820720 194170127 /nfs/dbraw/zinc/17/01/27/194170127.db2.gz SKBVYPHSLWWVRG-HIFRSBDPSA-N 0 1 253.349 2.835 20 30 CFEDMN N#Cc1ccc(S(=O)(=O)Nc2ccsc2Cl)o1 ZINC000334403451 379238817 /nfs/dbraw/zinc/23/88/17/379238817.db2.gz DVXRLZUXNDODCD-UHFFFAOYSA-N 0 1 288.737 2.667 20 30 CFEDMN COC(=O)c1cccc2c1CCN([C@H]1CC[C@@H](C#N)C1)C2 ZINC000334514002 379430259 /nfs/dbraw/zinc/43/02/59/379430259.db2.gz OOOYHDAEXPSMOT-OCCSQVGLSA-N 0 1 284.359 2.524 20 30 CFEDMN N#CCCC1CCN(C(=O)c2[nH]nc3ccccc32)CC1 ZINC000335501929 379411529 /nfs/dbraw/zinc/41/15/29/379411529.db2.gz SJHRIAXGNUDKHP-UHFFFAOYSA-N 0 1 282.347 2.719 20 30 CFEDMN CC(C)n1cc(C#N)c(=NC(=O)[C@H]2CCCC[C@H]2C)[nH]1 ZINC000335605436 379592195 /nfs/dbraw/zinc/59/21/95/379592195.db2.gz RFXKXXFNYBVWKA-YPMHNXCESA-N 0 1 274.368 2.522 20 30 CFEDMN C=C1CCN(CCOc2ccc([N+](=O)[O-])cc2)CC1 ZINC000264432319 383738805 /nfs/dbraw/zinc/73/88/05/383738805.db2.gz CSIRULKZDVYXGE-UHFFFAOYSA-N 0 1 262.309 2.626 20 30 CFEDMN Cc1cc(C#N)ccc1C(=O)N1C[C@@H]2CCCCN2C[C@H]1C ZINC000335716336 379775180 /nfs/dbraw/zinc/77/51/80/379775180.db2.gz PNUWWYVDKKCINL-ZBFHGGJFSA-N 0 1 297.402 2.566 20 30 CFEDMN Cc1ccc(OCCNCc2ccc(C#N)o2)cc1 ZINC000174242978 379850915 /nfs/dbraw/zinc/85/09/15/379850915.db2.gz BOTMRTWDVPPGTC-UHFFFAOYSA-N 0 1 256.305 2.628 20 30 CFEDMN C[C@H]1CCCC[C@H]1OCCNCc1ccc(C#N)o1 ZINC000174284890 379857454 /nfs/dbraw/zinc/85/74/54/379857454.db2.gz JRWJZESSSRKOTH-SWLSCSKDSA-N 0 1 262.353 2.836 20 30 CFEDMN C[C@H]1CCCC[C@@H]1OCCNCc1ccc(C#N)o1 ZINC000174284864 379857902 /nfs/dbraw/zinc/85/79/02/379857902.db2.gz JRWJZESSSRKOTH-WFASDCNBSA-N 0 1 262.353 2.836 20 30 CFEDMN CO[C@H]1CCN(Cc2ccc(C#N)cc2F)C[C@H]1C ZINC000334740335 379857865 /nfs/dbraw/zinc/85/78/65/379857865.db2.gz VTZJQPHWRLXVAX-ABAIWWIYSA-N 0 1 262.328 2.554 20 30 CFEDMN C[C@H]1CCC[N@H+](C(C)(C)CNCc2ccc(C#N)o2)C1 ZINC000174299441 379859720 /nfs/dbraw/zinc/85/97/20/379859720.db2.gz BFJHZEDOWRDMEW-ZDUSSCGKSA-N 0 1 275.396 2.751 20 30 CFEDMN N#Cc1ccc(CNCCOc2ccc(F)cc2F)o1 ZINC000174365064 379873255 /nfs/dbraw/zinc/87/32/55/379873255.db2.gz YDHXYFXQXVKASG-UHFFFAOYSA-N 0 1 278.258 2.598 20 30 CFEDMN C[C@@H]1CCCN1Cc1nnc(-c2ccc(C#N)cc2)o1 ZINC000174405716 379878730 /nfs/dbraw/zinc/87/87/30/379878730.db2.gz DVRLIQXJONCBPT-LLVKDONJSA-N 0 1 268.320 2.593 20 30 CFEDMN N#Cc1cc(F)ccc1CN1CC[C@H]([C@@H]2CCOC2)C1 ZINC000335856390 380002383 /nfs/dbraw/zinc/00/23/83/380002383.db2.gz QZJIENFJXDYLGA-UONOGXRCSA-N 0 1 274.339 2.556 20 30 CFEDMN N#Cc1c(F)cccc1CN1CCC2(C1)CCOCC2 ZINC000335240549 380064040 /nfs/dbraw/zinc/06/40/40/380064040.db2.gz RHTBLFLJBXZHOB-UHFFFAOYSA-N 0 1 274.339 2.700 20 30 CFEDMN N#Cc1ccc(CN2CCC[C@H]2[C@H]2CCCO2)c(F)c1 ZINC000335933782 380124146 /nfs/dbraw/zinc/12/41/46/380124146.db2.gz UNQDPMWTRYSITK-JKSUJKDBSA-N 0 1 274.339 2.841 20 30 CFEDMN C[C@H]1CCCN([C@@H](C(N)=O)c2ccc(C#N)cc2)C1 ZINC000335982806 380193132 /nfs/dbraw/zinc/19/31/32/380193132.db2.gz GDCSVUNKTWHXSG-SMDDNHRTSA-N 0 1 257.337 2.867 20 30 CFEDMN N#Cc1cccc(NC(=O)CN2CCC[C@@H](C3CC3)C2)c1 ZINC000289439230 197348061 /nfs/dbraw/zinc/34/80/61/197348061.db2.gz OHHCFUVTPXRDFA-OAHLLOKOSA-N 0 1 283.375 2.619 20 30 CFEDMN C[C@@H](N[C@H]1CCc2ccc(C#N)cc21)C(=O)N1CCCCC1 ZINC000336003731 380222717 /nfs/dbraw/zinc/22/27/17/380222717.db2.gz BLHAAHYKISRBKH-DYVFJYSZSA-N 0 1 297.402 2.536 20 30 CFEDMN N#Cc1csc(CN[C@@H]2CCN(c3ccccc3)C2=O)c1 ZINC000177698690 380369640 /nfs/dbraw/zinc/36/96/40/380369640.db2.gz GGJQFUWUUNASRK-OAHLLOKOSA-N 0 1 297.383 2.515 20 30 CFEDMN N#Cc1c(F)cccc1CN1CCC[C@H]([C@@H]2CCOC2)C1 ZINC000336541134 380439351 /nfs/dbraw/zinc/43/93/51/380439351.db2.gz SKPXIVQUUKZMBJ-DZGCQCFKSA-N 0 1 288.366 2.946 20 30 CFEDMN CC(C)(O)[C@@H]1CCC[N@H+]1Cc1ccc(C#N)cc1Cl ZINC000336577301 380494368 /nfs/dbraw/zinc/49/43/68/380494368.db2.gz KGGHQCPZTABUAZ-AWEZNQCLSA-N 0 1 278.783 2.947 20 30 CFEDMN Cc1n[nH]c(C(F)F)c1NC(=O)c1cccc(C#N)c1 ZINC000336556883 380461428 /nfs/dbraw/zinc/46/14/28/380461428.db2.gz BRMSMSHPPUODSL-UHFFFAOYSA-N 0 1 276.246 2.780 20 30 CFEDMN Cn1cc(CNCc2ccoc2)c(-c2ccc(C#N)cc2)n1 ZINC000180109150 380619514 /nfs/dbraw/zinc/61/95/14/380619514.db2.gz GFTWIZNMQZNHTE-UHFFFAOYSA-N 0 1 292.342 2.842 20 30 CFEDMN C=CCCC[C@H](C)NC(=O)N1CCN(C)C[C@@H]1C(C)C ZINC000181097016 380738229 /nfs/dbraw/zinc/73/82/29/380738229.db2.gz XSDUPKWFNGZLIH-LSDHHAIUSA-N 0 1 281.444 2.713 20 30 CFEDMN C=CCNC(=O)CN[C@@H](c1ccccc1F)C1CCCC1 ZINC000181493224 380807246 /nfs/dbraw/zinc/80/72/46/380807246.db2.gz BELPBXJHKOERLB-QGZVFWFLSA-N 0 1 290.382 2.949 20 30 CFEDMN C=C(CC)CN1CCCN(c2nc(CC)ns2)CC1 ZINC000358510802 380896651 /nfs/dbraw/zinc/89/66/51/380896651.db2.gz PWTZHKVGWZPMLK-UHFFFAOYSA-N 0 1 280.441 2.579 20 30 CFEDMN COc1ccc(C#N)cc1CN1C[C@H]2CCCC[C@H]21 ZINC000368095089 380921791 /nfs/dbraw/zinc/92/17/91/380921791.db2.gz PBHLDQDRCCKDGS-UKRRQHHQSA-N 0 1 256.349 2.941 20 30 CFEDMN N#CCCC[C@@H](NCc1cc[nH]n1)c1ccccc1 ZINC000353915286 380953424 /nfs/dbraw/zinc/95/34/24/380953424.db2.gz NDASLDJIGPZPAJ-OAHLLOKOSA-N 0 1 254.337 2.934 20 30 CFEDMN N#Cc1cccc(CN2CC[C@@H](Oc3ccncc3)C2)c1 ZINC000347122335 380954383 /nfs/dbraw/zinc/95/43/83/380954383.db2.gz MYPHLQYRLFTSMB-QGZVFWFLSA-N 0 1 279.343 2.607 20 30 CFEDMN Cc1cc(C#N)nc(SCC[N@H+](C)Cc2ccccc2)n1 ZINC000287932044 380975186 /nfs/dbraw/zinc/97/51/86/380975186.db2.gz XHTQOVVTQOFQPF-UHFFFAOYSA-N 0 1 298.415 2.881 20 30 CFEDMN C[C@@H](NCc1cccc(N(C)C)n1)c1cccc(C#N)c1 ZINC000182074892 380985990 /nfs/dbraw/zinc/98/59/90/380985990.db2.gz WUHYVNAKWHITLQ-CYBMUJFWSA-N 0 1 280.375 2.870 20 30 CFEDMN CCCC(CCC)C(=O)N=c1[nH]n(C(C)C)cc1C#N ZINC000410537406 380982446 /nfs/dbraw/zinc/98/24/46/380982446.db2.gz CQJGRICBASRXRV-UHFFFAOYSA-N 0 1 276.384 2.912 20 30 CFEDMN CC(C)C[C@@H]1C[C@H]1C(=O)N=c1[nH]n(C(C)(C)C)cc1C#N ZINC000410541393 380983434 /nfs/dbraw/zinc/98/34/34/380983434.db2.gz SOLOTLGTLDXXFY-DGCLKSJQSA-N 0 1 288.395 2.552 20 30 CFEDMN N#CC1(CCN(CCO)Cc2cccnc2)CCCCC1 ZINC000411355934 381023021 /nfs/dbraw/zinc/02/30/21/381023021.db2.gz ZXRNGNDAFKHSDB-UHFFFAOYSA-N 0 1 287.407 2.740 20 30 CFEDMN CCC[C@H](N[C@@H](C)CCC#N)c1nnc2ccccn21 ZINC000411516331 381032196 /nfs/dbraw/zinc/03/21/96/381032196.db2.gz XQNGXYTYXKXFCK-STQMWFEESA-N 0 1 271.368 2.852 20 30 CFEDMN CC[C@@H](NCc1ccc(F)cc1C#N)[C@@H]1CCCO1 ZINC000182330927 381066014 /nfs/dbraw/zinc/06/60/14/381066014.db2.gz HRJOCGQVMHTZKZ-CABCVRRESA-N 0 1 262.328 2.745 20 30 CFEDMN C[C@@H]1CN(CCOc2ccccc2C#N)CCC1(F)F ZINC000289655817 381087845 /nfs/dbraw/zinc/08/78/45/381087845.db2.gz DZYYDFLEIMLBLE-GFCCVEGCSA-N 0 1 280.318 2.914 20 30 CFEDMN C=C(C)Cn1c([C@H](C)CC)n[n-]c1=[NH+]c1c(C)n[nH]c1C ZINC000358826871 381108824 /nfs/dbraw/zinc/10/88/24/381108824.db2.gz JDZFOXAAFKDXAT-SNVBAGLBSA-N 0 1 288.399 2.873 20 30 CFEDMN C=CC(C)(C)C(=O)N(C)CCCN(C)Cc1ccco1 ZINC000295868127 381126583 /nfs/dbraw/zinc/12/65/83/381126583.db2.gz YOSHFQPSRCUJAE-UHFFFAOYSA-N 0 1 278.396 2.772 20 30 CFEDMN CCOC(=O)C[C@@H](C)N(C)CC#Cc1cccc(Cl)c1 ZINC000182661634 381133372 /nfs/dbraw/zinc/13/33/72/381133372.db2.gz JUQARMGJBRDWDD-CYBMUJFWSA-N 0 1 293.794 2.965 20 30 CFEDMN Cn1nccc1[C@H]1CCC[N@@H+](CC#Cc2ccccc2)C1 ZINC000368997365 381176577 /nfs/dbraw/zinc/17/65/77/381176577.db2.gz CZUARIBOCNMQGC-KRWDZBQOSA-N 0 1 279.387 2.651 20 30 CFEDMN Cn1nccc1[C@H]1CCCN(CC#Cc2ccccc2)C1 ZINC000368997365 381176580 /nfs/dbraw/zinc/17/65/80/381176580.db2.gz CZUARIBOCNMQGC-KRWDZBQOSA-N 0 1 279.387 2.651 20 30 CFEDMN Cn1nccc1[C@@H]1CCC[N@@H+](CC#Cc2ccccc2)C1 ZINC000368997366 381177482 /nfs/dbraw/zinc/17/74/82/381177482.db2.gz CZUARIBOCNMQGC-QGZVFWFLSA-N 0 1 279.387 2.651 20 30 CFEDMN Cn1nccc1[C@@H]1CCCN(CC#Cc2ccccc2)C1 ZINC000368997366 381177492 /nfs/dbraw/zinc/17/74/92/381177492.db2.gz CZUARIBOCNMQGC-QGZVFWFLSA-N 0 1 279.387 2.651 20 30 CFEDMN Cc1ccc(C(=O)N2CCC[N@H+](CC(C)C)CC2)cc1C#N ZINC000369115481 381195268 /nfs/dbraw/zinc/19/52/68/381195268.db2.gz IOCDRDGCYRONLJ-UHFFFAOYSA-N 0 1 299.418 2.671 20 30 CFEDMN C=C[C@H](CO)N[C@H](C)c1sc(C(C)(C)C)nc1C ZINC000290000868 381255026 /nfs/dbraw/zinc/25/50/26/381255026.db2.gz ZCKLSIQVVAWVAF-MWLCHTKSSA-N 0 1 268.426 2.947 20 30 CFEDMN N#Cc1ccc(CN2CCCO[C@H]3CCC[C@H]32)c(F)c1 ZINC000369455447 381261965 /nfs/dbraw/zinc/26/19/65/381261965.db2.gz BZOOTTXZUCPAGM-CVEARBPZSA-N 0 1 274.339 2.841 20 30 CFEDMN N#Cc1ccc(F)c(CN2CCCO[C@H]3CCC[C@@H]32)c1 ZINC000369466127 381267501 /nfs/dbraw/zinc/26/75/01/381267501.db2.gz JEMOEYLLTHYUMW-HOTGVXAUSA-N 0 1 274.339 2.841 20 30 CFEDMN COc1cc([C@H](C)NCc2ccc(C#N)cc2)ccn1 ZINC000347563062 381222164 /nfs/dbraw/zinc/22/21/64/381222164.db2.gz SVESGYJBDAEMMH-LBPRGKRZSA-N 0 1 267.332 2.813 20 30 CFEDMN C=CCOc1cccc(C[N@@H+]2C[C@@H](C)N(C)[C@@H](C)C2)c1 ZINC000354447502 381273766 /nfs/dbraw/zinc/27/37/66/381273766.db2.gz OHVFQWAEOCVITA-GASCZTMLSA-N 0 1 274.408 2.776 20 30 CFEDMN CCc1cnccc1C(=O)C(C#N)c1ccccn1 ZINC000183481980 381278037 /nfs/dbraw/zinc/27/80/37/381278037.db2.gz NNHLVPVABKDFQO-ZDUSSCGKSA-N 0 1 251.289 2.529 20 30 CFEDMN COc1cc(F)c([C@@H](C)NCCCC#N)cc1OC ZINC000183504328 381282081 /nfs/dbraw/zinc/28/20/81/381282081.db2.gz HWFOKWFTVNUSQM-SNVBAGLBSA-N 0 1 266.316 2.797 20 30 CFEDMN C=CCNC(=O)CN[C@@H](c1ccccc1Cl)C(C)C ZINC000183696532 381306905 /nfs/dbraw/zinc/30/69/05/381306905.db2.gz ZXIRSNLIODNFFX-OAHLLOKOSA-N 0 1 280.799 2.929 20 30 CFEDMN CC#CCCCC(=O)Nc1nc(-c2ccc(C)cc2)n[nH]1 ZINC000183835543 381329086 /nfs/dbraw/zinc/32/90/86/381329086.db2.gz XYURRIUSGUPGJR-UHFFFAOYSA-N 0 1 282.347 2.912 20 30 CFEDMN CC#CCCCC(=O)Nc1nc(-c2ccccc2OC)n[nH]1 ZINC000184533639 381428815 /nfs/dbraw/zinc/42/88/15/381428815.db2.gz JPNCIGZHJYWZAR-UHFFFAOYSA-N 0 1 298.346 2.612 20 30 CFEDMN C=CCCCN1CCN([C@H](C)c2nccs2)CC1 ZINC000184590834 381442404 /nfs/dbraw/zinc/44/24/04/381442404.db2.gz LASWTLSSPATOEW-CYBMUJFWSA-N 0 1 265.426 2.788 20 30 CFEDMN C=CCOCCCN1CCOC[C@H]1Cc1ccccc1 ZINC000348042071 381454249 /nfs/dbraw/zinc/45/42/49/381454249.db2.gz GDRZFIGOJMCLJP-QGZVFWFLSA-N 0 1 275.392 2.523 20 30 CFEDMN C=CCCN(C)[C@@H](C)C(=O)Nc1ccccc1OC ZINC000342735226 381507359 /nfs/dbraw/zinc/50/73/59/381507359.db2.gz OZQRJUCMWXKZJH-LBPRGKRZSA-N 0 1 262.353 2.530 20 30 CFEDMN C=CCCN(C)[C@@H](C)C(=O)N1c2ccccc2C[C@@H]1C ZINC000342734055 381507545 /nfs/dbraw/zinc/50/75/45/381507545.db2.gz GNXDRARHXCDFJB-KBPBESRZSA-N 0 1 272.392 2.861 20 30 CFEDMN N#Cc1cccc(CN2CCC[C@H](N3CCCCC3=O)C2)c1 ZINC000370902833 381511859 /nfs/dbraw/zinc/51/18/59/381511859.db2.gz CVCHHYUZTJPGRQ-KRWDZBQOSA-N 0 1 297.402 2.535 20 30 CFEDMN C=CCCN(C)[C@H](C)C(=O)Nc1cc(C)ccc1OC ZINC000342754605 381519287 /nfs/dbraw/zinc/51/92/87/381519287.db2.gz AUAFDJBDILQPEO-CYBMUJFWSA-N 0 1 276.380 2.839 20 30 CFEDMN CC(C)(C)N1CC[C@](F)(C(=O)Oc2ccc(C#N)cc2)C1 ZINC000290619867 381501367 /nfs/dbraw/zinc/50/13/67/381501367.db2.gz WZEMACJFQKDJGM-MRXNPFEDSA-N 0 1 290.338 2.676 20 30 CFEDMN Cc1nc([C@@H]2CCCCN2c2cccc(F)c2C#N)n[nH]1 ZINC000371109918 381549665 /nfs/dbraw/zinc/54/96/65/381549665.db2.gz XGMLGPHNQIZKQN-AWEZNQCLSA-N 0 1 285.326 2.856 20 30 CFEDMN C=C(C)COCCN[C@@H](C)c1ccc(Cl)cn1 ZINC000359652355 381534541 /nfs/dbraw/zinc/53/45/41/381534541.db2.gz RYVXSXMVAWQCEW-NSHDSACASA-N 0 1 254.761 2.978 20 30 CFEDMN CC(C)[C@@H]1N(C[C@H](C#N)CCC#N)CC12CCOCC2 ZINC000414184492 381569330 /nfs/dbraw/zinc/56/93/30/381569330.db2.gz NWLVPUQPXPRLEA-GJZGRUSLSA-N 0 1 275.396 2.567 20 30 CFEDMN N#Cc1ccccc1CN1CC[C@](CO)(c2ccccc2)C1 ZINC000291179642 381696996 /nfs/dbraw/zinc/69/69/96/381696996.db2.gz FLDZERJCODCCNJ-IBGZPJMESA-N 0 1 292.382 2.694 20 30 CFEDMN C=CC[C@H](CO)N[C@H](C)c1nc(C(F)(F)F)cs1 ZINC000343470720 381735047 /nfs/dbraw/zinc/73/50/47/381735047.db2.gz XRBUFDNRUAEEDB-HTQZYQBOSA-N 0 1 280.315 2.750 20 30 CFEDMN C#CCONC(=O)[C@H](C)c1cccc(CC(C)C)c1 ZINC000291299469 381739919 /nfs/dbraw/zinc/73/99/19/381739919.db2.gz QLUZGKIWAFLLDU-CYBMUJFWSA-N 0 1 259.349 2.670 20 30 CFEDMN CC(C)N(Cc1ccc(C#N)cc1F)[C@@H]1CCOC1 ZINC000291304996 381742269 /nfs/dbraw/zinc/74/22/69/381742269.db2.gz QZCFYFYQUAXZFN-CQSZACIVSA-N 0 1 262.328 2.697 20 30 CFEDMN COc1cc(CN2CC[C@H](COC(F)F)C2)ccc1C#N ZINC000348870043 381747741 /nfs/dbraw/zinc/74/77/41/381747741.db2.gz ROVNLXZKFPCPOF-LBPRGKRZSA-N 0 1 296.317 2.628 20 30 CFEDMN C#CC[C@@H](NCC(=O)N1CCCC[C@H]1C)c1ccccc1 ZINC000298930708 381783872 /nfs/dbraw/zinc/78/38/72/381783872.db2.gz NVGFCAADOXNECA-NVXWUHKLSA-N 0 1 284.403 2.742 20 30 CFEDMN C=CCN(Cc1ccc(OC)cc1)C(=O)c1cc(CC)[nH]n1 ZINC000298959207 381788828 /nfs/dbraw/zinc/78/88/28/381788828.db2.gz JDFHIIMPGXZJBP-UHFFFAOYSA-N 0 1 299.374 2.809 20 30 CFEDMN Cc1nc(N[C@@H]2CCCN(C)[C@@H]2C)c(Cl)cc1C#N ZINC000360081133 381761818 /nfs/dbraw/zinc/76/18/18/381761818.db2.gz CUHQPJTXYMCVNJ-ZWNOBZJWSA-N 0 1 278.787 2.810 20 30 CFEDMN COc1ccc([N+](=O)[O-])cc1CN[C@@H]1CCC[C@@H](C#N)C1 ZINC000185897151 381771842 /nfs/dbraw/zinc/77/18/42/381771842.db2.gz ZAZVPKDYAGKGAF-DGCLKSJQSA-N 0 1 289.335 2.775 20 30 CFEDMN C=CCOCCCC(=O)Nc1ccc2nc(C)[nH]c2c1 ZINC000361472768 381835195 /nfs/dbraw/zinc/83/51/95/381835195.db2.gz FJVQJDWMCTTXMT-UHFFFAOYSA-N 0 1 273.336 2.793 20 30 CFEDMN CCCCCCCC(=O)N1CCCN(CCOC)CC1 ZINC000361536452 381839564 /nfs/dbraw/zinc/83/95/64/381839564.db2.gz DVSRRVZWRYULBQ-UHFFFAOYSA-N 0 1 284.444 2.528 20 30 CFEDMN CCCCCCCCC(=O)N1CCCN(CCOC)CC1 ZINC000361540696 381842422 /nfs/dbraw/zinc/84/24/22/381842422.db2.gz WSLRZGVJWPRGBO-UHFFFAOYSA-N 0 1 298.471 2.918 20 30 CFEDMN C=C[C@H]1CCCCN1Cc1cc(C(=O)OC)c(C)n1C ZINC000361135684 381802835 /nfs/dbraw/zinc/80/28/35/381802835.db2.gz HTUHSRAKWYEEPU-ZDUSSCGKSA-N 0 1 276.380 2.661 20 30 CFEDMN CCOc1nc(C)ccc1C(=O)[C@H](C#N)c1ccccn1 ZINC000361196568 381806620 /nfs/dbraw/zinc/80/66/20/381806620.db2.gz ZGRWJVFNIMMBPA-CYBMUJFWSA-N 0 1 281.315 2.674 20 30 CFEDMN C[C@H]1C[C@@H](O)CCN1CC#Cc1ccc(C(F)(F)F)cc1 ZINC000292533405 381807594 /nfs/dbraw/zinc/80/75/94/381807594.db2.gz XDDNNLSAUNJISU-WFASDCNBSA-N 0 1 297.320 2.902 20 30 CFEDMN C=CCOc1ccccc1CN(CC=C)CCOC ZINC000361634715 381851589 /nfs/dbraw/zinc/85/15/89/381851589.db2.gz BYFFWWRIASTWLC-UHFFFAOYSA-N 0 1 261.365 2.886 20 30 CFEDMN C=CCN(CCOC)Cc1cc2c(cccc2F)[nH]1 ZINC000361640604 381852809 /nfs/dbraw/zinc/85/28/09/381852809.db2.gz VDQIOIMGWIOCFJ-UHFFFAOYSA-N 0 1 262.328 2.941 20 30 CFEDMN CC(C)(C)c1nc(CN2CCc3ccc(C#N)cc32)n[nH]1 ZINC000292927995 381907276 /nfs/dbraw/zinc/90/72/76/381907276.db2.gz MGXRIUIBJMBTDU-UHFFFAOYSA-N 0 1 281.363 2.537 20 30 CFEDMN Cn1ccnc1[C@H]1CCC[N@@H+](Cc2ccc(C#N)cc2F)C1 ZINC000373108243 381928118 /nfs/dbraw/zinc/92/81/18/381928118.db2.gz ASHYASXMHZCJOY-HNNXBMFYSA-N 0 1 298.365 2.810 20 30 CFEDMN N#Cc1ccc(CN[C@@H](c2nnc[nH]2)c2ccccc2)cc1 ZINC000372909173 381888434 /nfs/dbraw/zinc/88/84/34/381888434.db2.gz VQVDVKOJNIQNAE-MRXNPFEDSA-N 0 1 289.342 2.556 20 30 CFEDMN C#CCCN1CCCN(C(=O)c2cccc(Cl)c2)CC1 ZINC000362057582 381889133 /nfs/dbraw/zinc/88/91/33/381889133.db2.gz BOFSSFDHRNVYHN-UHFFFAOYSA-N 0 1 290.794 2.511 20 30 CFEDMN Cc1oc(NC(=O)CN(C)[C@H](C)C2CCC2)c(C#N)c1C ZINC000357018685 381967680 /nfs/dbraw/zinc/96/76/80/381967680.db2.gz AVVIVUPWTLIZAA-LLVKDONJSA-N 0 1 289.379 2.827 20 30 CFEDMN COc1cc(C#N)ccc1CN1CCCO[C@@H](C(C)C)C1 ZINC000292989308 381937298 /nfs/dbraw/zinc/93/72/98/381937298.db2.gz IKNKGDQKGKCURL-QGZVFWFLSA-N 0 1 288.391 2.814 20 30 CFEDMN CC#CCN(C)Cc1cc(=O)oc2c(C)c(C)ccc12 ZINC000293146947 382007538 /nfs/dbraw/zinc/00/75/38/382007538.db2.gz NVRWWQSXLCSKDB-UHFFFAOYSA-N 0 1 269.344 2.865 20 30 CFEDMN CC[C@H](NCc1cccc(F)c1C#N)[C@@H]1CCCO1 ZINC000362286285 381990930 /nfs/dbraw/zinc/99/09/30/381990930.db2.gz RCQJPRATTQXTQR-GJZGRUSLSA-N 0 1 262.328 2.745 20 30 CFEDMN C=CCN(CCc1ccco1)Cc1cnc(C)nc1 ZINC000351729649 382059719 /nfs/dbraw/zinc/05/97/19/382059719.db2.gz HFOOYNGGBSRBFA-UHFFFAOYSA-N 0 1 257.337 2.609 20 30 CFEDMN C=C(C)CN(CC)C(=O)CN1CCC(OCCCC)CC1 ZINC000362454307 382079410 /nfs/dbraw/zinc/07/94/10/382079410.db2.gz PUONAFAQVUPKIL-UHFFFAOYSA-N 0 1 296.455 2.692 20 30 CFEDMN C=CCNC(=O)[C@H](C)N1Cc2ccccc2C2(CCC2)C1 ZINC000375692795 382096144 /nfs/dbraw/zinc/09/61/44/382096144.db2.gz YUCOYQHTMZQKFP-AWEZNQCLSA-N 0 1 284.403 2.615 20 30 CFEDMN CN1CC[C@@H](Nc2ccc(C#N)cn2)[C@H]1c1ccc(F)cc1 ZINC000301843046 382197345 /nfs/dbraw/zinc/19/73/45/382197345.db2.gz KKAYLDMOMVQHGN-NVXWUHKLSA-N 0 1 296.349 2.950 20 30 CFEDMN CCC[C@]1(CO)CCN(Cc2cccc(C#N)c2F)C1 ZINC000344230751 382216411 /nfs/dbraw/zinc/21/64/11/382216411.db2.gz DZBAYJYXEFNTHE-INIZCTEOSA-N 0 1 276.355 2.682 20 30 CFEDMN C=CCCC(=O)NC1CCN(Cc2ccc(F)cc2)CC1 ZINC000363092621 382226236 /nfs/dbraw/zinc/22/62/36/382226236.db2.gz XRBMSTRMDDNLKL-UHFFFAOYSA-N 0 1 290.382 2.873 20 30 CFEDMN CC(C)(CO)[C@@H](NCc1cccc(C#N)c1)c1cccnc1 ZINC000293740731 382259989 /nfs/dbraw/zinc/25/99/89/382259989.db2.gz VTNVXFWHQBLSPK-KRWDZBQOSA-N 0 1 295.386 2.803 20 30 CFEDMN CCN(CCNc1cccnc1C#N)CCC(F)(F)F ZINC000357664481 382269695 /nfs/dbraw/zinc/26/96/95/382269695.db2.gz TZXSPJNJHWZDRJ-UHFFFAOYSA-N 0 1 286.301 2.639 20 30 CFEDMN CC(C)(C#N)CCN(CCC1CCCCC1)CC(N)=O ZINC000345715821 382309905 /nfs/dbraw/zinc/30/99/05/382309905.db2.gz RYFGUYAUYDWTFD-UHFFFAOYSA-N 0 1 279.428 2.684 20 30 CFEDMN CCCC[C@H](C)[N@@H+](C)CC(=O)N(CC)C[C@H](C)C#N ZINC000352413661 382317047 /nfs/dbraw/zinc/31/70/47/382317047.db2.gz BGWLKPHZWVEZNA-KGLIPLIRSA-N 0 1 267.417 2.505 20 30 CFEDMN CN(Cc1ccc(C#N)s1)C[C@@H](O)Cc1ccccc1 ZINC000293901461 382329183 /nfs/dbraw/zinc/32/91/83/382329183.db2.gz LEJFGPVQGIHPMH-AWEZNQCLSA-N 0 1 286.400 2.655 20 30 CFEDMN Cc1c[nH]cc1C(=O)[C@@H](C#N)c1nc2cccc(C)c2[nH]1 ZINC000345365365 382299192 /nfs/dbraw/zinc/29/91/92/382299192.db2.gz AMXGFOBWTFTEIX-LLVKDONJSA-N 0 1 278.315 2.998 20 30 CFEDMN N#Cc1ccc(CN2CCCO[C@@H]3CCC[C@H]32)cc1F ZINC000365274983 382369953 /nfs/dbraw/zinc/36/99/53/382369953.db2.gz NGNAATDHKYHSMO-HZPDHXFCSA-N 0 1 274.339 2.841 20 30 CFEDMN N#Cc1ccc(CN[C@@]2(CO)CCc3ccccc32)cc1F ZINC000365269385 382370438 /nfs/dbraw/zinc/37/04/38/382370438.db2.gz SPPIODMMJLAUJL-GOSISDBHSA-N 0 1 296.345 2.621 20 30 CFEDMN Cc1nc2cc(NC(=O)c3ccc(C#N)c(O)c3)ccc2o1 ZINC000188234641 382373993 /nfs/dbraw/zinc/37/39/93/382373993.db2.gz JQTZWNFKGVHIGY-UHFFFAOYSA-N 0 1 293.282 2.966 20 30 CFEDMN Cc1cc(NC(=O)c2ccc(C#N)c(O)c2)ccc1F ZINC000188248666 382376835 /nfs/dbraw/zinc/37/68/35/382376835.db2.gz ZVLLIANNEFVNPE-UHFFFAOYSA-N 0 1 270.263 2.964 20 30 CFEDMN C[C@@H](C(=O)Nc1ccccc1C#N)N1CC[C@H](C2CC2)C1 ZINC000378317989 382434286 /nfs/dbraw/zinc/43/42/86/382434286.db2.gz MERQSRPLKNPSJA-WFASDCNBSA-N 0 1 283.375 2.617 20 30 CFEDMN C=C(C)CN(Cc1cnn(C(C)C)c1)C[C@@H](C)OC ZINC000352902450 382480988 /nfs/dbraw/zinc/48/09/88/382480988.db2.gz NASABGVZMREIBS-CQSZACIVSA-N 0 1 265.401 2.877 20 30 CFEDMN CC[C@H](CC#N)NCc1ccccc1-c1ccnn1C ZINC000352912820 382483225 /nfs/dbraw/zinc/48/32/25/382483225.db2.gz FAYUECAGSODDLA-CQSZACIVSA-N 0 1 268.364 2.869 20 30 CFEDMN C(#Cc1ccccc1)CN1CCOC[C@@H](C2CCC2)C1 ZINC000366424194 382509418 /nfs/dbraw/zinc/50/94/18/382509418.db2.gz YCSZPIFKOPDTOR-SFHVURJKSA-N 0 1 269.388 2.787 20 30 CFEDMN C=CCOCCN1CCN(c2cncc3ccccc32)CC1 ZINC000294528694 382515732 /nfs/dbraw/zinc/51/57/32/382515732.db2.gz JPVNSVGGXDVCCM-UHFFFAOYSA-N 0 1 297.402 2.559 20 30 CFEDMN C=CCC[C@@H](CO)NCc1c(F)cccc1Cl ZINC000321061607 382540221 /nfs/dbraw/zinc/54/02/21/382540221.db2.gz YNGCCRTZPGGHTC-JTQLQIEISA-N 0 1 257.736 2.896 20 30 CFEDMN C=CCCN(C)C(=O)CCc1nc2cccc(C)c2[nH]1 ZINC000346829767 382532992 /nfs/dbraw/zinc/53/29/92/382532992.db2.gz WGFQQFLISLKZJC-UHFFFAOYSA-N 0 1 271.364 2.838 20 30 CFEDMN CCS[C@@H]1CCC[C@@H]1NCc1nc(C#N)cs1 ZINC000386110611 382583802 /nfs/dbraw/zinc/58/38/02/382583802.db2.gz KFGQLGWQEDBOLJ-WDEREUQCSA-N 0 1 267.423 2.779 20 30 CFEDMN CN(CC#Cc1cccc(Cl)c1)CC(C)(C)CO ZINC000295246695 382597966 /nfs/dbraw/zinc/59/79/66/382597966.db2.gz PYMROPJQMVXMRP-UHFFFAOYSA-N 0 1 265.784 2.642 20 30 CFEDMN C[C@@H](C#N)CNC(=O)c1cn[nH]c1-c1ccc(Cl)s1 ZINC000189392153 382602386 /nfs/dbraw/zinc/60/23/86/382602386.db2.gz LZXIZHUBOHPECB-ZETCQYMHSA-N 0 1 294.767 2.681 20 30 CFEDMN CC[C@@]1(CO)CCCN(Cc2ccc(C#N)s2)C1 ZINC000190233421 382658032 /nfs/dbraw/zinc/65/80/32/382658032.db2.gz JTXMVAOMJHNNAO-CQSZACIVSA-N 0 1 264.394 2.604 20 30 CFEDMN CCCCc1cc(NC(=O)c2ccc(C#N)c(O)c2)n[nH]1 ZINC000190859949 382682836 /nfs/dbraw/zinc/68/28/36/382682836.db2.gz FKLYABKRWUFSEE-UHFFFAOYSA-N 0 1 284.319 2.582 20 30 CFEDMN Cn1cc(CN[C@@H]2CCCOc3ccccc32)cc1C#N ZINC000190916024 382684771 /nfs/dbraw/zinc/68/47/71/382684771.db2.gz GOZAILXTBOAGJV-MRXNPFEDSA-N 0 1 281.359 2.900 20 30 CFEDMN C[C@@H](NCCCCC(C)(C)C#N)c1csnn1 ZINC000398345239 382635755 /nfs/dbraw/zinc/63/57/55/382635755.db2.gz UCVZHCCUSCKQKA-SNVBAGLBSA-N 0 1 252.387 2.909 20 30 CFEDMN C[C@H](C#N)CN[C@H]1CC[C@H](C)N(C(=O)OC(C)(C)C)C1 ZINC000398984233 382636683 /nfs/dbraw/zinc/63/66/83/382636683.db2.gz AACKQECGVSHMQE-AGIUHOORSA-N 0 1 281.400 2.524 20 30 CFEDMN CCC[C@@H](C)NC(=O)[C@H](C)N1CCC(CCC#N)CC1 ZINC000399294179 382637964 /nfs/dbraw/zinc/63/79/64/382637964.db2.gz JEMNSBNIJKESGN-KGLIPLIRSA-N 0 1 279.428 2.695 20 30 CFEDMN CO[C@@]1(C)C[C@H]([N@@H+](C)Cc2cc(C#N)n(C)c2)C1(C)C ZINC000191434701 382700396 /nfs/dbraw/zinc/70/03/96/382700396.db2.gz POGHMMLOVIDMAI-HOCLYGCPSA-N 0 1 275.396 2.532 20 30 CFEDMN C#CCCCC(=O)Nc1[nH]nc(-c2ccncc2)c1CC ZINC000192046776 382704409 /nfs/dbraw/zinc/70/44/09/382704409.db2.gz KWTQMGFGFDDNCZ-UHFFFAOYSA-N 0 1 282.347 2.776 20 30 CFEDMN C(#Cc1ccccc1)CN1CCCN(c2ccccn2)CC1 ZINC000192187781 382705244 /nfs/dbraw/zinc/70/52/44/382705244.db2.gz LRBJAQFWKZDIMH-UHFFFAOYSA-N 0 1 291.398 2.645 20 30 CFEDMN C#CC[N@H+](C)Cc1cccc(OCC(F)(F)F)c1 ZINC000192235593 382705703 /nfs/dbraw/zinc/70/57/03/382705703.db2.gz KAYKZXIEBZSSAO-UHFFFAOYSA-N 0 1 257.255 2.693 20 30 CFEDMN C#CCN(C)Cc1cccc(OCC(F)(F)F)c1 ZINC000192235593 382705704 /nfs/dbraw/zinc/70/57/04/382705704.db2.gz KAYKZXIEBZSSAO-UHFFFAOYSA-N 0 1 257.255 2.693 20 30 CFEDMN COC(=O)[C@H](C)N(CCCC(C)(C)C#N)C1CCC1 ZINC000192385924 382708182 /nfs/dbraw/zinc/70/81/82/382708182.db2.gz BPWIPZZYQAAADZ-LBPRGKRZSA-N 0 1 266.385 2.732 20 30 CFEDMN CCc1cc(C(=O)N(Cc2ccc(C#N)cc2)C2CC2)n[nH]1 ZINC000192462461 382709089 /nfs/dbraw/zinc/70/90/89/382709089.db2.gz KXCTYIZBJYFSCX-UHFFFAOYSA-N 0 1 294.358 2.649 20 30 CFEDMN CC[N@@H+](C(C)C)[C@@H]1CCCN(c2ccc(C#N)cc2)C1=O ZINC000192549698 382710131 /nfs/dbraw/zinc/71/01/31/382710131.db2.gz GLHOXMMEPKBHDS-MRXNPFEDSA-N 0 1 285.391 2.784 20 30 CFEDMN C=CCCCCCN1Cc2ccccc2C[C@H]1C(N)=O ZINC000193303624 382718353 /nfs/dbraw/zinc/71/83/53/382718353.db2.gz XXLBYRGMXAEHMQ-INIZCTEOSA-N 0 1 272.392 2.645 20 30 CFEDMN C=CCCCCCN1CCN(C(=O)c2ccccn2)CC1 ZINC000193414673 382719617 /nfs/dbraw/zinc/71/96/17/382719617.db2.gz KYAUWLAABOFYQR-UHFFFAOYSA-N 0 1 287.407 2.586 20 30 CFEDMN N#Cc1ccccc1NC(=O)CCN1Cc2ccccc2C1 ZINC000194579430 382748940 /nfs/dbraw/zinc/74/89/40/382748940.db2.gz UETLGYBWHLDUID-UHFFFAOYSA-N 0 1 291.354 2.903 20 30 CFEDMN C=CCSCCNC(=O)c1ccc(O)c(Cl)c1 ZINC000194581726 382749091 /nfs/dbraw/zinc/74/90/91/382749091.db2.gz UAGFVZKWMMPADP-UHFFFAOYSA-N 0 1 271.769 2.695 20 30 CFEDMN CC(C)(COCc1ccccc1)NCC1(C#N)CC1 ZINC000337304287 382797933 /nfs/dbraw/zinc/79/79/33/382797933.db2.gz RNWOYADASWKVHW-UHFFFAOYSA-N 0 1 258.365 2.875 20 30 CFEDMN COc1cc(CNCc2ccsc2)ccc1C#N ZINC000234931462 382875848 /nfs/dbraw/zinc/87/58/48/382875848.db2.gz DJPLEEOJGVXIDX-UHFFFAOYSA-N 0 1 258.346 2.918 20 30 CFEDMN CC[C@@H](C)[C@H]1C[N@H+](CCCC#N)CCN1CCCC#N ZINC000337981580 382887683 /nfs/dbraw/zinc/88/76/83/382887683.db2.gz SRCAUDKIFOUFOH-HZPDHXFCSA-N 0 1 276.428 2.626 20 30 CFEDMN Cc1cc2c[nH]nc2cc1NC(=O)c1ccc(C#N)c(O)c1 ZINC000442653738 382941058 /nfs/dbraw/zinc/94/10/58/382941058.db2.gz PDPRNZJIZCOFBP-UHFFFAOYSA-N 0 1 292.298 2.701 20 30 CFEDMN CCN(C[C@@H](C)C#N)C[C@@H]1CCN(C(=O)c2ccccc2)C1 ZINC000338238087 382959507 /nfs/dbraw/zinc/95/95/07/382959507.db2.gz XYJNSUFFUGRHDL-HOTGVXAUSA-N 0 1 299.418 2.630 20 30 CFEDMN Cc1[nH]nc2cc(NC(=O)C3(C#N)CC(C)C3)ccc12 ZINC000538809583 382960314 /nfs/dbraw/zinc/96/03/14/382960314.db2.gz RQTDQIDZCOKQCW-UHFFFAOYSA-N 0 1 268.320 2.750 20 30 CFEDMN C=CCNC(=O)CN1CCC[C@]1(C)Cc1cccc(F)c1 ZINC000578440466 382921233 /nfs/dbraw/zinc/92/12/33/382921233.db2.gz ZVGZKHGHCSJBIN-QGZVFWFLSA-N 0 1 290.382 2.525 20 30 CFEDMN C[C@H]1C[C@@H](CNC(=O)OC(C)(C)C)CN1CC1(C#N)CC1 ZINC000494714289 382922560 /nfs/dbraw/zinc/92/25/60/382922560.db2.gz ZCICHRDCNQMYRW-STQMWFEESA-N 0 1 293.411 2.525 20 30 CFEDMN COC(=O)c1cccc(CN2C[C@@H](C)C[C@H](C)C2)c1C#N ZINC000534487976 382931420 /nfs/dbraw/zinc/93/14/20/382931420.db2.gz XUKQUAUGHLJNCD-STQMWFEESA-N 0 1 286.375 2.823 20 30 CFEDMN C[C@@H](C#N)CN(CCCO[C@H]1CCCCO1)C1CC1 ZINC000338288739 382978329 /nfs/dbraw/zinc/97/83/29/382978329.db2.gz SIMCRGUNKOBKHS-ZFWWWQNUSA-N 0 1 266.385 2.544 20 30 CFEDMN C[C@H](C#N)CN(C)C[C@@]1(C)CCN(C(=O)OC(C)(C)C)C1 ZINC000495335258 382980699 /nfs/dbraw/zinc/98/06/99/382980699.db2.gz FIMHERDMFYOFNN-CZUORRHYSA-N 0 1 295.427 2.725 20 30 CFEDMN CC#CCN1CCN(c2cccc3cnccc32)C[C@H]1C ZINC000447378873 382995985 /nfs/dbraw/zinc/99/59/85/382995985.db2.gz AWNGMCAXZKDEEP-OAHLLOKOSA-N 0 1 279.387 2.769 20 30 CFEDMN C=CCNC(=O)CN1CC[C@@H](C)[C@@H]1c1cccc(F)c1 ZINC000245408584 382998916 /nfs/dbraw/zinc/99/89/16/382998916.db2.gz HYPZTPSANHCEOZ-MLGOLLRUSA-N 0 1 276.355 2.511 20 30 CFEDMN C[C@@H](NCc1ccc(F)cn1)c1ccc(C#N)cc1 ZINC000338352225 383000404 /nfs/dbraw/zinc/00/04/04/383000404.db2.gz IBGXZWIDQUKRAX-LLVKDONJSA-N 0 1 255.296 2.943 20 30 CFEDMN C=C[C@](C)(CCOC)C(=O)Nc1ccc(F)c(F)c1O ZINC000457289725 383012890 /nfs/dbraw/zinc/01/28/90/383012890.db2.gz JBASVGKINMNTKN-CQSZACIVSA-N 0 1 285.290 2.838 20 30 CFEDMN CC(C)(C#N)C(=O)Nc1nc(-c2ccc(Cl)cc2)n[nH]1 ZINC000541516539 382965564 /nfs/dbraw/zinc/96/55/64/382965564.db2.gz PCAZUZXBKLDREH-UHFFFAOYSA-N 0 1 289.726 2.613 20 30 CFEDMN CCN(C)[C@@H](C(=O)N1CCC(CC#N)CC1)c1ccccc1 ZINC000542909399 382970752 /nfs/dbraw/zinc/97/07/52/382970752.db2.gz UVRLYYNHZVDQPL-QGZVFWFLSA-N 0 1 299.418 2.832 20 30 CFEDMN CC(C)(C)OC(=O)N[C@@H]1CCCN([C@H]2CC[C@H](C#N)C2)C1 ZINC000495794512 383028136 /nfs/dbraw/zinc/02/81/36/383028136.db2.gz MOHMPYKJVFECSE-MJBXVCDLSA-N 0 1 293.411 2.668 20 30 CFEDMN CC(C)(C)OC(=O)N1CC[C@H](NCC2(C#N)CC2)C1(C)C ZINC000495968395 383049491 /nfs/dbraw/zinc/04/94/91/383049491.db2.gz JIAHPQVGEGBXLY-LBPRGKRZSA-N 0 1 293.411 2.668 20 30 CFEDMN C=CCC[C@H](O)CN1C[C@H](c2ccccc2)OC[C@@H]1C ZINC000245998118 383057687 /nfs/dbraw/zinc/05/76/87/383057687.db2.gz HYNDGVIPHCRRBO-BHYGNILZSA-N 0 1 275.392 2.776 20 30 CFEDMN Cc1cccc2nc([C@H](C#N)C(=O)Nc3ccccn3)[nH]c21 ZINC000505449511 383142084 /nfs/dbraw/zinc/14/20/84/383142084.db2.gz PYTDNXXUBGZARV-NSHDSACASA-N 0 1 291.314 2.512 20 30 CFEDMN N#CCCC1CCN(CC(=O)NCC2CCCCC2)CC1 ZINC000583259772 383089124 /nfs/dbraw/zinc/08/91/24/383089124.db2.gz CXCUDHXJDWLZNQ-UHFFFAOYSA-N 0 1 291.439 2.699 20 30 CFEDMN COC(=O)c1cccc(CN(C)[C@H]2CC[C@@H](C)C2)c1C#N ZINC000584506377 383108337 /nfs/dbraw/zinc/10/83/37/383108337.db2.gz YATTWKFWEIHKHJ-OCCSQVGLSA-N 0 1 286.375 2.965 20 30 CFEDMN C=CCCOCc1nc(-c2ccc3[nH]cnc3c2)no1 ZINC000680754703 542360758 /nfs/dbraw/zinc/36/07/58/542360758.db2.gz XAIMKLBGIIIFFH-UHFFFAOYSA-N 0 1 270.292 2.706 20 30 CFEDMN N#C[C@@H]1CN(C[C@H]2CCCC[C@@H]2O)C[C@H]1c1ccccc1 ZINC000565049482 383175843 /nfs/dbraw/zinc/17/58/43/383175843.db2.gz QTSQBYONKSBRLL-BDXSIMOUSA-N 0 1 284.403 2.777 20 30 CFEDMN C=CCCCC[N@H+](C)[C@@H](Cc1ccccc1)C(=O)[O-] ZINC000565957399 383182426 /nfs/dbraw/zinc/18/24/26/383182426.db2.gz OGKVQJMRIOJLDD-HNNXBMFYSA-N 0 1 261.365 2.970 20 30 CFEDMN N#CCCCN[C@@H]1CCc2cc(F)c(F)c(F)c21 ZINC000449234743 383184664 /nfs/dbraw/zinc/18/46/64/383184664.db2.gz QYROILMYHUDMTB-SNVBAGLBSA-N 0 1 254.255 2.985 20 30 CFEDMN C[C@@H]1CCN(CC(=O)Nc2ccc(Cl)cc2CC#N)C1 ZINC000566456493 383186981 /nfs/dbraw/zinc/18/69/81/383186981.db2.gz NCXGOULTXKOYOL-LLVKDONJSA-N 0 1 291.782 2.686 20 30 CFEDMN CC(C)C[C@H]1CCCN(CC(=O)N[C@](C)(C#N)C(C)C)C1 ZINC000247694926 383191688 /nfs/dbraw/zinc/19/16/88/383191688.db2.gz TUSFVUMLOHKUBU-NVXWUHKLSA-N 0 1 293.455 2.799 20 30 CFEDMN COc1ccc(C[C@@H](C)NC[C@@H](C)C#N)c(C)c1OC ZINC000561956405 383155609 /nfs/dbraw/zinc/15/56/09/383155609.db2.gz GUQLKNUQOKXVQS-NWDGAFQWSA-N 0 1 276.380 2.693 20 30 CFEDMN N#CCC[C@@H](C#N)CN[C@H]1C[C@H](c2ccccc2)C1 ZINC000562465690 383158170 /nfs/dbraw/zinc/15/81/70/383158170.db2.gz WUYJOBYIJHJGAX-BPUTZDHNSA-N 0 1 253.349 2.966 20 30 CFEDMN C=CCCCCCNC(=O)[C@@H]1CCCc2[nH]cnc21 ZINC000515433668 383160474 /nfs/dbraw/zinc/16/04/74/383160474.db2.gz XGGPDWVFYXIVFB-GFCCVEGCSA-N 0 1 261.369 2.692 20 30 CFEDMN Cc1ccc([C@H]2OCCC[C@@H]2CNCCC#N)cc1 ZINC000562989355 383163958 /nfs/dbraw/zinc/16/39/58/383163958.db2.gz IIXPUUPQSGZYQD-HZPDHXFCSA-N 0 1 258.365 2.966 20 30 CFEDMN CC(C)[C@H](CC(F)(F)F)NC[C@@H](C#N)CCC#N ZINC000563013348 383164220 /nfs/dbraw/zinc/16/42/20/383164220.db2.gz IZMPIIMHXFXXQU-MNOVXSKESA-N 0 1 261.291 2.997 20 30 CFEDMN CCCN(CC(=O)N(C)CC1CC1)Cc1ccc(C#N)cc1 ZINC000339155483 383169787 /nfs/dbraw/zinc/16/97/87/383169787.db2.gz WSLXQSWRRJFDCU-UHFFFAOYSA-N 0 1 299.418 2.639 20 30 CFEDMN C=CCN(CC(F)(F)F)C(=O)c1cc(-c2ccoc2)[nH]n1 ZINC000520167976 383248791 /nfs/dbraw/zinc/24/87/91/383248791.db2.gz XBQVJMPJXXSSTO-UHFFFAOYSA-N 0 1 299.252 2.860 20 30 CFEDMN C=C(C)C(C)(C)C(=O)N[C@@H](C)c1n[nH]c(C(C)C)n1 ZINC000424753216 383251206 /nfs/dbraw/zinc/25/12/06/383251206.db2.gz YGAXPXKMOURTSX-JTQLQIEISA-N 0 1 264.373 2.708 20 30 CFEDMN C=C(C)COCCNCc1cnc([C@H]2CCCO2)s1 ZINC000339499822 383218367 /nfs/dbraw/zinc/21/83/67/383218367.db2.gz IQBIHBXQXVGKRE-CYBMUJFWSA-N 0 1 282.409 2.677 20 30 CFEDMN Cc1nc([C@@H](C)Sc2cccc(F)c2C#N)n[nH]1 ZINC000566864312 383220410 /nfs/dbraw/zinc/22/04/10/383220410.db2.gz AFJVJJKVVMKHMA-SSDOTTSWSA-N 0 1 262.313 2.977 20 30 CFEDMN C=C(C)CN(CC)C(=O)[C@@H](C)N[C@H](C)c1cnc(C)s1 ZINC000634576972 383242892 /nfs/dbraw/zinc/24/28/92/383242892.db2.gz DDCZVGYJZRHQBJ-VXGBXAGGSA-N 0 1 295.452 2.915 20 30 CFEDMN C=CCN(Cc1cccs1)C(=O)[C@H](C)N1C[C@H](C)[C@@H]1C ZINC000339563723 383244307 /nfs/dbraw/zinc/24/43/07/383244307.db2.gz ZWMCEJHZDBPSFA-IHRRRGAJSA-N 0 1 292.448 2.991 20 30 CFEDMN C=C(C)CN(CC)[C@H](C)C(=O)N[C@H]1CCCC[C@@H]1C ZINC000249510758 383349287 /nfs/dbraw/zinc/34/92/87/383349287.db2.gz PJWVWQCZZQXZLM-ZNMIVQPWSA-N 0 1 266.429 2.968 20 30 CFEDMN CC(C)N(Cc1ccc(C#N)cc1[N+](=O)[O-])C1CC1 ZINC000567989975 383339870 /nfs/dbraw/zinc/33/98/70/383339870.db2.gz WREWDXJAOJVJCL-UHFFFAOYSA-N 0 1 259.309 2.839 20 30 CFEDMN C[C@H]1CN2CCCC[C@H]2CN1c1ncc2c(c1C#N)CCC2 ZINC000425228440 383344475 /nfs/dbraw/zinc/34/44/75/383344475.db2.gz KDWTUZMTBGXTMU-ZFWWWQNUSA-N 0 1 296.418 2.505 20 30 CFEDMN CO[C@@](C)(CNCc1nc(C#N)cs1)c1ccccc1 ZINC000449482285 383323005 /nfs/dbraw/zinc/32/30/05/383323005.db2.gz BFLBKTABPUVNQG-HNNXBMFYSA-N 0 1 287.388 2.666 20 30 CFEDMN CCO[C@H]1C[C@@H](N(C)CC2(C#N)CCC2)C1(C)C ZINC000450431065 383407912 /nfs/dbraw/zinc/40/79/12/383407912.db2.gz XKNPICJNYDRVNV-OLZOCXBDSA-N 0 1 250.386 2.816 20 30 CFEDMN C=CCCN(C)CC(=O)N[C@@H](C)CCCC(C)C ZINC000467286024 383350541 /nfs/dbraw/zinc/35/05/41/383350541.db2.gz OHQJBFNCHALLEA-AWEZNQCLSA-N 0 1 254.418 2.825 20 30 CFEDMN C=C[C@@H]1OCC[C@H]1NCc1cc(C(=O)OC)ccc1Cl ZINC000449521219 383353159 /nfs/dbraw/zinc/35/31/59/383353159.db2.gz REYUJBFLXULFHU-KGLIPLIRSA-N 0 1 295.766 2.560 20 30 CFEDMN N#Cc1ccc(CN2CCCC[C@@H]2[C@H](O)C(F)(F)F)cc1 ZINC000340206149 383381188 /nfs/dbraw/zinc/38/11/88/383381188.db2.gz SUSCZQGFSWFDQY-KGLIPLIRSA-N 0 1 298.308 2.836 20 30 CFEDMN C=CCOCCN1CC[C@@H](O)[C@H]1c1ccc(Cl)cc1 ZINC000425553030 383384727 /nfs/dbraw/zinc/38/47/27/383384727.db2.gz RPZJJYDDBGTBHZ-HUUCEWRRSA-N 0 1 281.783 2.650 20 30 CFEDMN C=C(C)CN(C)CC(=O)N[C@H](C)c1ccc(CC)cc1 ZINC000481228692 383423987 /nfs/dbraw/zinc/42/39/87/383423987.db2.gz NNSJBYLBTHQTRB-CQSZACIVSA-N 0 1 274.408 2.934 20 30 CFEDMN CC(C)CCO[C@@H]1CCN(CC2(C#N)CCC2)C1 ZINC000450477491 383427548 /nfs/dbraw/zinc/42/75/48/383427548.db2.gz BFYHIKLGYVMMLF-CQSZACIVSA-N 0 1 250.386 2.817 20 30 CFEDMN N#CC1(CN2CCC(OC[C@H]3CCCCO3)CC2)CCC1 ZINC000450477927 383428016 /nfs/dbraw/zinc/42/80/16/383428016.db2.gz YRIHFGKWMOEMRX-MRXNPFEDSA-N 0 1 292.423 2.730 20 30 CFEDMN N#CC1(COc2ccccc2-c2nnc[nH]2)CCC1 ZINC000568737313 383430876 /nfs/dbraw/zinc/43/08/76/383430876.db2.gz IDWQVAHAULKXOE-UHFFFAOYSA-N 0 1 254.293 2.544 20 30 CFEDMN CO[C@H](C)CN(Cc1cccc(F)c1C#N)C(C)C ZINC000428232041 383431806 /nfs/dbraw/zinc/43/18/06/383431806.db2.gz SXRMXEFIQUBVBU-GFCCVEGCSA-N 0 1 264.344 2.943 20 30 CFEDMN Cc1ccccc1[C@H](N)C(=O)N1CCC(CCC#N)CC1 ZINC000568767449 383436202 /nfs/dbraw/zinc/43/62/02/383436202.db2.gz WVYVDTZOKXRIII-INIZCTEOSA-N 0 1 285.391 2.537 20 30 CFEDMN CCO[C@H]1C[C@@H](N(C)CC2(C#N)CCC2)C12CCC2 ZINC000450493671 383436968 /nfs/dbraw/zinc/43/69/68/383436968.db2.gz FNLKKLAMJMRTIS-KGLIPLIRSA-N 0 1 262.397 2.960 20 30 CFEDMN N#CC1(CN2CC[C@@H](Nc3ccccc3)C2)CCC1 ZINC000450550162 383457341 /nfs/dbraw/zinc/45/73/41/383457341.db2.gz LXVSAXFDTWBFOC-OAHLLOKOSA-N 0 1 255.365 2.867 20 30 CFEDMN C=CCN1C(=O)N=NC1SC[C@H]1CCC2(CCCC2)O1 ZINC000527309454 383469641 /nfs/dbraw/zinc/46/96/41/383469641.db2.gz ZPINYGATLXLSJV-LLVKDONJSA-N 0 1 295.408 2.754 20 30 CFEDMN C=CCN(C[C@@H](C)C1CCCCC1)[C@@H]1CCS(=O)(=O)C1 ZINC000569142199 383472943 /nfs/dbraw/zinc/47/29/43/383472943.db2.gz GBGLNRWHLGGMAI-GDBMZVCRSA-N 0 1 299.480 2.878 20 30 CFEDMN C=CCOc1ccccc1CNCc1ccc(C)n(C)c1=O ZINC000487149940 383477253 /nfs/dbraw/zinc/47/72/53/383477253.db2.gz GOJOCXCXGQMXAR-UHFFFAOYSA-N 0 1 298.386 2.548 20 30 CFEDMN C=CCCCCCN1CCO[C@H](COCC2CC2)C1 ZINC000488045966 383490965 /nfs/dbraw/zinc/49/09/65/383490965.db2.gz SYKVNYRYDJTDFS-INIZCTEOSA-N 0 1 267.413 2.860 20 30 CFEDMN COc1ccc(CN2CC[C@@H](OC(C)C)C2)cc1C#N ZINC000570207427 383582067 /nfs/dbraw/zinc/58/20/67/383582067.db2.gz OBZAHRICRBXNJL-OAHLLOKOSA-N 0 1 274.364 2.566 20 30 CFEDMN COCCC1CCN(Cc2cc(C#N)ccc2OC)CC1 ZINC000528577170 383582791 /nfs/dbraw/zinc/58/27/91/383582791.db2.gz IZJKKQJUWSDEDV-UHFFFAOYSA-N 0 1 288.391 2.815 20 30 CFEDMN C[C@@H]1CCCC[C@H]1C(=O)N=c1[nH]n(C(C)(C)C)cc1C#N ZINC000335110906 296349568 /nfs/dbraw/zinc/34/95/68/296349568.db2.gz PSKHLGOTCXUUJR-DGCLKSJQSA-N 0 1 288.395 2.696 20 30 CFEDMN C=C[C@@H]1CCCCN1CC(=O)N(C)Cc1ccc(F)cc1 ZINC000489472619 383621919 /nfs/dbraw/zinc/62/19/19/383621919.db2.gz HNTXYJSPHVGPDU-MRXNPFEDSA-N 0 1 290.382 2.825 20 30 CFEDMN C=CCC[C@H](NC(=O)[C@@H](C)N(C)C)c1ccccc1 ZINC000635716911 383631277 /nfs/dbraw/zinc/63/12/77/383631277.db2.gz IDPNEXHBOMVUQM-HIFRSBDPSA-N 0 1 260.381 2.760 20 30 CFEDMN CO[C@@]1(C)C[C@@H](NCc2cccc(F)c2C#N)C1(C)C ZINC000451508717 383631754 /nfs/dbraw/zinc/63/17/54/383631754.db2.gz WMCUGFQPRBWGPD-ZBFHGGJFSA-N 0 1 276.355 2.991 20 30 CFEDMN N#CC(C(=O)NCc1ccccc1)C(=O)[C@H]1CCCC12CC2 ZINC000528917400 383675944 /nfs/dbraw/zinc/67/59/44/383675944.db2.gz GWXCVSDYYAOZCH-HUUCEWRRSA-N 0 1 296.370 2.592 20 30 CFEDMN N#C[C@@H](C(=O)NC1CCCCC1)C(=O)[C@H]1CCCC12CC2 ZINC000528916228 383676465 /nfs/dbraw/zinc/67/64/65/383676465.db2.gz DKVTUFBSLOCRQN-ZIAGYGMSSA-N 0 1 288.391 2.724 20 30 CFEDMN C=CC[C@@H]1CCN(C(=O)c2cc(-c3ccccc3O)[nH]n2)C1 ZINC000636251239 383751655 /nfs/dbraw/zinc/75/16/55/383751655.db2.gz CKFSPDKWGYHAPA-GFCCVEGCSA-N 0 1 297.358 2.821 20 30 CFEDMN CC[C@H](CC#N)NC(=O)C(C#N)CCc1ccccc1 ZINC000433379290 383761809 /nfs/dbraw/zinc/76/18/09/383761809.db2.gz UBRKXXISNCKCHI-HUUCEWRRSA-N 0 1 269.348 2.567 20 30 CFEDMN C=CCNC(=O)[C@H](C)N1CCC(F)(c2ccccc2)CC1 ZINC000434499051 383768440 /nfs/dbraw/zinc/76/84/40/383768440.db2.gz KMUKDGXFTJMDBU-AWEZNQCLSA-N 0 1 290.382 2.638 20 30 CFEDMN C=CCN(Cc1ccccc1F)C[C@H](O)CCOCC ZINC000434626674 383769792 /nfs/dbraw/zinc/76/97/92/383769792.db2.gz JJAQPERFSFXMLF-OAHLLOKOSA-N 0 1 281.371 2.601 20 30 CFEDMN C=C(CNC(=O)[C@H]1CCN1C1CCCC1)c1ccccc1 ZINC000635928819 383663810 /nfs/dbraw/zinc/66/38/10/383663810.db2.gz AHAAIGGDAHNRKI-QGZVFWFLSA-N 0 1 284.403 2.833 20 30 CFEDMN CCC(C#N)(CC)C(=O)N[C@H]1CCN(C)[C@@H]1c1ccccc1 ZINC000528911592 383674909 /nfs/dbraw/zinc/67/49/09/383674909.db2.gz AKCNADLETUKDDC-JKSUJKDBSA-N 0 1 299.418 2.878 20 30 CFEDMN Cc1cccc2nc(CCC(=O)NCC3(CC#N)CC3)[nH]c21 ZINC000435960842 383782607 /nfs/dbraw/zinc/78/26/07/383782607.db2.gz QPQBGJYLIHNSTQ-UHFFFAOYSA-N 0 1 296.374 2.614 20 30 CFEDMN C=C(C)[C@H](CC(=O)N1CCN(C)[C@H](C(C)(C)C)C1)OCC ZINC000640615030 383847418 /nfs/dbraw/zinc/84/74/18/383847418.db2.gz JIWAYHXYOJZRPQ-GJZGRUSLSA-N 0 1 296.455 2.546 20 30 CFEDMN C=CCCO[C@@H](C)C(=O)Nc1cc(C(=O)CC)ccc1O ZINC000436642623 383862080 /nfs/dbraw/zinc/86/20/80/383862080.db2.gz BTTNPLQQIQOQKA-NSHDSACASA-N 0 1 291.347 2.905 20 30 CFEDMN N#CC1(F)CCN(C(=O)c2ccc(O)c(Cl)c2)CC1 ZINC000436840176 383898353 /nfs/dbraw/zinc/89/83/53/383898353.db2.gz OCUJQONZDYXLPE-UHFFFAOYSA-N 0 1 282.702 2.513 20 30 CFEDMN N#Cc1ccccc1CN1CCC(c2ncc[nH]2)CC1 ZINC000265524846 383938858 /nfs/dbraw/zinc/93/88/58/383938858.db2.gz UIGRXGZLLSYMTB-UHFFFAOYSA-N 0 1 266.348 2.661 20 30 CFEDMN C=CCCCn1cc([C@H](N)c2ccc(Cl)cc2)nn1 ZINC000640936477 383956172 /nfs/dbraw/zinc/95/61/72/383956172.db2.gz YXOQXDRYCBHRPG-CQSZACIVSA-N 0 1 276.771 2.946 20 30 CFEDMN CC#CCN1CCC(Oc2c(OC)cccc2OC)CC1 ZINC000265997322 384048676 /nfs/dbraw/zinc/04/86/76/384048676.db2.gz MJNIYUSVIJMYHR-UHFFFAOYSA-N 0 1 289.375 2.570 20 30 CFEDMN CC[C@H](C)N(C)Cc1nnc(-c2cccc(C#N)c2)o1 ZINC000439960582 384053014 /nfs/dbraw/zinc/05/30/14/384053014.db2.gz GGNLXZZXOPXETE-NSHDSACASA-N 0 1 270.336 2.839 20 30 CFEDMN C[C@@H]1C[C@H](C)CN1CC(=O)Nc1ccc(C#N)c(Cl)c1 ZINC000532970334 384087388 /nfs/dbraw/zinc/08/73/88/384087388.db2.gz HMRKOOLNTCVZLN-WDEREUQCSA-N 0 1 291.782 2.880 20 30 CFEDMN C=CCN1CC[C@@H](N(C)Cc2c(C)cccc2C)C1=O ZINC000281117678 195111945 /nfs/dbraw/zinc/11/19/45/195111945.db2.gz BVIAUWZIWMXYIN-MRXNPFEDSA-N 0 1 272.392 2.522 20 30 CFEDMN C[C@H](CN1CCCCC1)Nc1snc(Cl)c1C#N ZINC000267175255 384314927 /nfs/dbraw/zinc/31/49/27/384314927.db2.gz CZBQROKSWGBPRQ-SECBINFHSA-N 0 1 284.816 2.954 20 30 CFEDMN C[C@@H](NCC(=O)N(C)C1CCCCC1)c1ccc(C#N)cc1 ZINC000267046735 384288335 /nfs/dbraw/zinc/28/83/35/384288335.db2.gz DOGKQFMEZSAVSI-CQSZACIVSA-N 0 1 299.418 3.000 20 30 CFEDMN CC#CC[C@@H](CO)NCc1ccc(F)c(Cl)c1Cl ZINC000641768134 384335195 /nfs/dbraw/zinc/33/51/95/384335195.db2.gz XCZILLMKFPBMRQ-JTQLQIEISA-N 0 1 290.165 2.996 20 30 CFEDMN C=C[C@H](CO)NCc1cccc(OCC)c1OCCC ZINC000641775334 384342016 /nfs/dbraw/zinc/34/20/16/384342016.db2.gz WWSLSEUNLYKGEP-CQSZACIVSA-N 0 1 279.380 2.511 20 30 CFEDMN C=CCCn1cc(CNC23CC(c4ccccc4)(C2)C3)nn1 ZINC000641790670 384352984 /nfs/dbraw/zinc/35/29/84/384352984.db2.gz PSSNWUTXJVGXNQ-UHFFFAOYSA-N 0 1 294.402 2.818 20 30 CFEDMN N#Cc1cccc(CN2CCC[C@H]([C@@H](O)C(F)(F)F)C2)c1 ZINC000277632533 384359436 /nfs/dbraw/zinc/35/94/36/384359436.db2.gz BKIIZFMGXSLTQX-UONOGXRCSA-N 0 1 298.308 2.693 20 30 CFEDMN CN(C)C(=O)c1cccc(CNCc2ccc(C#N)s2)c1 ZINC000267211624 384323763 /nfs/dbraw/zinc/32/37/63/384323763.db2.gz QXPXFJNHXARDPD-UHFFFAOYSA-N 0 1 299.399 2.611 20 30 CFEDMN CC#CC[C@@H](CO)NCc1cc(Cl)ccc1Cl ZINC000641767999 384333244 /nfs/dbraw/zinc/33/32/44/384333244.db2.gz TXCOURSUDZQAOH-LBPRGKRZSA-N 0 1 272.175 2.857 20 30 CFEDMN C#CCOc1cccc(NC(=O)c2cn[nH]c2C(C)C)c1 ZINC000277715522 384384631 /nfs/dbraw/zinc/38/46/31/384384631.db2.gz MHOGFYBFAWCQEU-UHFFFAOYSA-N 0 1 283.331 2.797 20 30 CFEDMN C=CC[C@H]1N(Cc2nnc(C)n2C)CCCC1(C)C ZINC000277734963 384390221 /nfs/dbraw/zinc/39/02/21/384390221.db2.gz KJNOFLMSAKAFJP-CYBMUJFWSA-N 0 1 262.401 2.690 20 30 CFEDMN C#CCN1CCC(c2nc(-c3ccc(Cl)o3)no2)CC1 ZINC000277936182 384444624 /nfs/dbraw/zinc/44/46/24/384444624.db2.gz PCJABOUYRQYISN-UHFFFAOYSA-N 0 1 291.738 2.796 20 30 CFEDMN C#C[C@@H](C)NCc1cccc(Br)c1OC ZINC000289398517 197328332 /nfs/dbraw/zinc/32/83/32/197328332.db2.gz OJFUQTQEKPSJQL-SECBINFHSA-N 0 1 268.154 2.569 20 30 CFEDMN C=CCN1CC[C@H](N(CC)[C@H](C)c2cccc(O)c2)C1=O ZINC000281138646 195120336 /nfs/dbraw/zinc/12/03/36/195120336.db2.gz AJHPKYPOFLDZOA-CJNGLKHVSA-N 0 1 288.391 2.562 20 30 CFEDMN Cc1nnc([C@H](C)N=c2cc(C#N)c3ccccc3[nH]2)s1 ZINC000353279396 220305221 /nfs/dbraw/zinc/30/52/21/220305221.db2.gz YVQJIUFFJPCYEB-VIFPVBQESA-N 0 1 295.371 2.861 20 30 CFEDMN C=CC[C@H]1N(C(=O)c2cnc(C)[nH]2)CCCC1(C)C ZINC000278299492 384521296 /nfs/dbraw/zinc/52/12/96/384521296.db2.gz BTBNCAHOHUPUPN-CYBMUJFWSA-N 0 1 261.369 2.925 20 30 CFEDMN C=CCOc1cccc(NC(=O)[C@@H]2CCCN2C2CC2)c1 ZINC000278450468 384580141 /nfs/dbraw/zinc/58/01/41/384580141.db2.gz MZDFPGGJALMIOI-INIZCTEOSA-N 0 1 286.375 2.817 20 30 CFEDMN CC(C)(C)CN(CCCO)Cc1cc(F)ccc1C#N ZINC000268273081 384587958 /nfs/dbraw/zinc/58/79/58/384587958.db2.gz CQULBRXSAACWLS-UHFFFAOYSA-N 0 1 278.371 2.928 20 30 CFEDMN C#CCN(Cc1ccccc1)C[C@H](O)c1ccsc1 ZINC000268323235 384602750 /nfs/dbraw/zinc/60/27/50/384602750.db2.gz LFKLLRYGEIKYSL-INIZCTEOSA-N 0 1 271.385 2.917 20 30 CFEDMN C=CC[C@H](C)[C@@H](C)N[C@@H]1CS(=O)(=O)c2ccccc21 ZINC000269132499 384729750 /nfs/dbraw/zinc/72/97/50/384729750.db2.gz ZVCVHEIOWRIKGW-OUCADQQQSA-N 0 1 279.405 2.705 20 30 CFEDMN C#CCn1ccc(C[N@@H+](CC)CCc2ccc(C)cc2)n1 ZINC000279770018 384753728 /nfs/dbraw/zinc/75/37/28/384753728.db2.gz SPTMYRYXSGBXBP-UHFFFAOYSA-N 0 1 281.403 2.889 20 30 CFEDMN C#CCn1ccc(CN(CC)CCc2ccc(C)cc2)n1 ZINC000279770018 384753738 /nfs/dbraw/zinc/75/37/38/384753738.db2.gz SPTMYRYXSGBXBP-UHFFFAOYSA-N 0 1 281.403 2.889 20 30 CFEDMN C[C@H](NCCCC#N)c1ccc(Br)cn1 ZINC000279919022 384813022 /nfs/dbraw/zinc/81/30/22/384813022.db2.gz ACOONVLOELVTGQ-VIFPVBQESA-N 0 1 268.158 2.798 20 30 CFEDMN C=CCCCNC(=O)NC[C@@H](c1ccco1)N1CCCC1 ZINC000280090609 384880759 /nfs/dbraw/zinc/88/07/59/384880759.db2.gz NQKAQKZVDPMEJE-AWEZNQCLSA-N 0 1 291.395 2.682 20 30 CFEDMN C#CC[C@@H](NC(=O)c1[nH]nc(C)c1C)c1ccccc1 ZINC000270548420 385142910 /nfs/dbraw/zinc/14/29/10/385142910.db2.gz YOLSOVARKVVGTR-CQSZACIVSA-N 0 1 267.332 2.521 20 30 CFEDMN N#Cc1cccc(OCCN2CCOCC23CCCC3)c1 ZINC000270573149 385150534 /nfs/dbraw/zinc/15/05/34/385150534.db2.gz BEZUIKWNNGBKMM-UHFFFAOYSA-N 0 1 286.375 2.582 20 30 CFEDMN C=C(C)COc1cc(CN2CCC(O)CC2)ccc1OC ZINC000271029576 385310809 /nfs/dbraw/zinc/31/08/09/385310809.db2.gz GQCCUFATSFFSHH-UHFFFAOYSA-N 0 1 291.391 2.607 20 30 CFEDMN COc1cc(CN2CC[C@@H](OCC(C)C)C2)ccc1C#N ZINC000282337219 385287777 /nfs/dbraw/zinc/28/77/77/385287777.db2.gz OQAPCVBCANEJSC-MRXNPFEDSA-N 0 1 288.391 2.814 20 30 CFEDMN C#CCCN(Cc1ccnc(OC(C)C)c1)C1CC1 ZINC000270975663 385288141 /nfs/dbraw/zinc/28/81/41/385288141.db2.gz DZFMGPLGIADVKA-UHFFFAOYSA-N 0 1 258.365 2.857 20 30 CFEDMN Cc1ccc(C#N)c(N[C@H]2CC[N@@H+](Cc3ccccc3)C2)n1 ZINC000271002948 385299201 /nfs/dbraw/zinc/29/92/01/385299201.db2.gz WHZNSKMSNGPPEX-KRWDZBQOSA-N 0 1 292.386 2.948 20 30 CFEDMN C#CCCCN(C)CC(=O)Nc1cccc(Cl)c1 ZINC000271082712 385332972 /nfs/dbraw/zinc/33/29/72/385332972.db2.gz YRWCRNXHGZTUGX-UHFFFAOYSA-N 0 1 264.756 2.624 20 30 CFEDMN C=CC[C@H](CC)NC(=O)c1cccc2nc(C)[nH]c21 ZINC000282685911 385370590 /nfs/dbraw/zinc/37/05/90/385370590.db2.gz DPNUAGZIKUMPQL-NSHDSACASA-N 0 1 257.337 2.956 20 30 CFEDMN CCc1nc([C@@H](C)N[C@@H](C)c2ccc(C#N)cc2)n[nH]1 ZINC000271912372 385399175 /nfs/dbraw/zinc/39/91/75/385399175.db2.gz YEMRSTDOTISLGH-WDEREUQCSA-N 0 1 269.352 2.651 20 30 CFEDMN C=CCCCC(=O)N1CCC[C@@H](c2cc(C)[nH]n2)C1 ZINC000283108144 385437309 /nfs/dbraw/zinc/43/73/09/385437309.db2.gz HAYRWNFQTBUWGO-CYBMUJFWSA-N 0 1 261.369 2.780 20 30 CFEDMN COC1(C)CCN(Cc2ccc(C#N)s2)CC1 ZINC000272323852 385510037 /nfs/dbraw/zinc/51/00/37/385510037.db2.gz BLGGFLXJYUANIP-UHFFFAOYSA-N 0 1 250.367 2.621 20 30 CFEDMN C=CCN(CCc1ccccc1)[C@@H]1CCN(C2CCC2)C1=O ZINC000639461978 385544987 /nfs/dbraw/zinc/54/49/87/385544987.db2.gz YSDIWHSUMZIFBE-GOSISDBHSA-N 0 1 298.430 2.871 20 30 CFEDMN CCC[C@]1(CO)CCN(CC#Cc2ccc(F)cc2)C1 ZINC000288829669 197174453 /nfs/dbraw/zinc/17/44/53/197174453.db2.gz NSGJTCRDSHKBKB-KRWDZBQOSA-N 0 1 275.367 2.662 20 30 CFEDMN C[C@@H](CNc1ccnc(C#N)c1)N1CCc2sccc2C1 ZINC000286135308 385563075 /nfs/dbraw/zinc/56/30/75/385563075.db2.gz NFJKVOWBQYTOFO-LBPRGKRZSA-N 0 1 298.415 2.873 20 30 CFEDMN N#CCC1(C[NH+]2CCC(C(=O)c3ccc([O-])cc3)CC2)CC1 ZINC000639522795 385571436 /nfs/dbraw/zinc/57/14/36/385571436.db2.gz UATJNLOHZQERBD-UHFFFAOYSA-N 0 1 298.386 2.981 20 30 CFEDMN Cc1cc(C[C@@H](C)Nc2nc(Cl)c(C#N)s2)[nH]n1 ZINC000286338057 385593325 /nfs/dbraw/zinc/59/33/25/385593325.db2.gz VULKVDFFYQJQOQ-ZCFIWIBFSA-N 0 1 281.772 2.743 20 30 CFEDMN CN(Cc1ccc(Cl)cc1C#N)[C@@H]1CCC[C@H]1O ZINC000286387029 385604894 /nfs/dbraw/zinc/60/48/94/385604894.db2.gz GWLPAVLRYJZMBS-ZIAGYGMSSA-N 0 1 264.756 2.557 20 30 CFEDMN C=CCNC(=O)CN[C@@H](CCC(C)C)c1ccoc1 ZINC000286302780 385585507 /nfs/dbraw/zinc/58/55/07/385585507.db2.gz XDUGPCMAGYQWGZ-AWEZNQCLSA-N 0 1 264.369 2.649 20 30 CFEDMN C#CCN(Cc1cc(=O)oc2cc(CC)ccc12)C1CC1 ZINC000274206854 385740195 /nfs/dbraw/zinc/74/01/95/385740195.db2.gz SLNXMYWQNRLLEP-UHFFFAOYSA-N 0 1 281.355 2.953 20 30 CFEDMN Cc1cc(C[C@@H](C)Nc2cc(C#N)ccc2[N+](=O)[O-])[nH]n1 ZINC000274221508 385743006 /nfs/dbraw/zinc/74/30/06/385743006.db2.gz BVURFWDFGADFBC-SECBINFHSA-N 0 1 285.307 2.541 20 30 CFEDMN C#CCN(Cc1c[nH]nc1-c1ccccc1)C1CC1 ZINC000274112212 385721416 /nfs/dbraw/zinc/72/14/16/385721416.db2.gz LRHCIUSOGQXAIP-UHFFFAOYSA-N 0 1 251.333 2.674 20 30 CFEDMN C=CCN(CC(=O)Nc1ccnn1CCC)C(C)(C)C ZINC000639827906 385727123 /nfs/dbraw/zinc/72/71/23/385727123.db2.gz KNECWURHPGVUCX-UHFFFAOYSA-N 0 1 278.400 2.518 20 30 CFEDMN C=C(C)C[C@@H](C)C(=O)N[C@H](C)c1n[nH]c(C(C)C)n1 ZINC000274493336 385811708 /nfs/dbraw/zinc/81/17/08/385811708.db2.gz KLOUTJLPIBTRER-GHMZBOCLSA-N 0 1 264.373 2.708 20 30 CFEDMN C=CCN(CC(F)(F)F)C(=O)c1c(O)cccc1F ZINC000274631452 385837636 /nfs/dbraw/zinc/83/76/36/385837636.db2.gz CCNICGSRDAQCNY-UHFFFAOYSA-N 0 1 277.217 2.722 20 30 CFEDMN C=CCN1CC[C@@H](N[C@@H](C)c2cc3ccccc3o2)C1=O ZINC000281253969 195168503 /nfs/dbraw/zinc/16/85/03/195168503.db2.gz HAGJIOJNCODXMX-GXTWGEPZSA-N 0 1 284.359 2.870 20 30 CFEDMN C=CCN1CC[C@H](N(C)Cc2cc(C)ccc2C)C1=O ZINC000281363502 195211897 /nfs/dbraw/zinc/21/18/97/195211897.db2.gz UZHLCWREBDQRNX-INIZCTEOSA-N 0 1 272.392 2.522 20 30 CFEDMN CSCCCN(C)[C@H](C)C(=O)Nc1cccc(C#N)c1 ZINC000281501806 195266091 /nfs/dbraw/zinc/26/60/91/195266091.db2.gz UJVAKRHCTYFDLS-GFCCVEGCSA-N 0 1 291.420 2.570 20 30 CFEDMN Cc1cc(C[N@H+]2CCOC[C@H]2C2CCC2)ccc1C#N ZINC000517738166 260000863 /nfs/dbraw/zinc/00/08/63/260000863.db2.gz FOPCOJFSCPSTPM-KRWDZBQOSA-N 0 1 270.376 2.868 20 30 CFEDMN Cc1cc(CN2CCOC[C@H]2C2CCC2)ccc1C#N ZINC000517738166 260000864 /nfs/dbraw/zinc/00/08/64/260000864.db2.gz FOPCOJFSCPSTPM-KRWDZBQOSA-N 0 1 270.376 2.868 20 30 CFEDMN CO[C@H]1CCN(Cc2cc(C#N)ccc2F)[C@@H](C)C1 ZINC000281650721 195322684 /nfs/dbraw/zinc/32/26/84/195322684.db2.gz JXQUJFMEXZCVBF-FZMZJTMJSA-N 0 1 262.328 2.697 20 30 CFEDMN CO[C@H]1CCN(Cc2cc(C#N)ccc2F)[C@H](C)C1 ZINC000281650725 195323131 /nfs/dbraw/zinc/32/31/31/195323131.db2.gz JXQUJFMEXZCVBF-RISCZKNCSA-N 0 1 262.328 2.697 20 30 CFEDMN C=CCNC(=O)[C@H](C)N[C@@H](C)c1ccccc1SC ZINC000281688999 195338408 /nfs/dbraw/zinc/33/84/08/195338408.db2.gz MWBUUXYMXMQJQI-RYUDHWBXSA-N 0 1 278.421 2.750 20 30 CFEDMN C=CCn1c([C@H](C)CC)nnc1N1CCN(C(C)C)CC1 ZINC000282399253 195597020 /nfs/dbraw/zinc/59/70/20/195597020.db2.gz WLMMOOBTZYSBGD-CQSZACIVSA-N 0 1 291.443 2.508 20 30 CFEDMN Cc1cc(CN2CC(CO)(c3ccccc3)C2)ccc1C#N ZINC000414545912 533591434 /nfs/dbraw/zinc/59/14/34/533591434.db2.gz GBXLMVKJVZTGDI-UHFFFAOYSA-N 0 1 292.382 2.613 20 30 CFEDMN COc1cc(CNC2(c3cccc(C#N)c3)CC2)ccn1 ZINC000341978222 130163503 /nfs/dbraw/zinc/16/35/03/130163503.db2.gz VYCRVEVSRWJVGF-UHFFFAOYSA-N 0 1 279.343 2.741 20 30 CFEDMN COCC#CCN(CCc1ccccc1)Cc1cccnc1 ZINC000683222841 542655359 /nfs/dbraw/zinc/65/53/59/542655359.db2.gz MPTICINKDKFKLQ-UHFFFAOYSA-N 0 1 294.398 2.776 20 30 CFEDMN C=CC[C@@H](C)NC(=O)[C@H](c1ccccc1)N(C)CC ZINC000246875168 131098364 /nfs/dbraw/zinc/09/83/64/131098364.db2.gz FQPWGSSALDZANC-HIFRSBDPSA-N 0 1 260.381 2.760 20 30 CFEDMN C=CCOc1ccc(CNCc2c(C)n[nH]c2C)cc1 ZINC000263809354 131336372 /nfs/dbraw/zinc/33/63/72/131336372.db2.gz SWTHWUXUYZOTSN-UHFFFAOYSA-N 0 1 271.364 2.881 20 30 CFEDMN CCC#C[C@H](C)N1CCC(Oc2ncccc2F)CC1 ZINC000683682098 542709269 /nfs/dbraw/zinc/70/92/69/542709269.db2.gz WIQWIXIDLBQPIB-ZDUSSCGKSA-N 0 1 276.355 2.866 20 30 CFEDMN Cc1n[nH]c([C@@H]2CCCN(Cc3cc(F)ccc3C#N)C2)n1 ZINC000268451014 132011209 /nfs/dbraw/zinc/01/12/09/132011209.db2.gz IRCPEDIOASIMOY-CYBMUJFWSA-N 0 1 299.353 2.504 20 30 CFEDMN Cc1nnc([C@@H]2CCCN(Cc3cc(F)ccc3C#N)C2)[nH]1 ZINC000268451014 132011211 /nfs/dbraw/zinc/01/12/11/132011211.db2.gz IRCPEDIOASIMOY-CYBMUJFWSA-N 0 1 299.353 2.504 20 30 CFEDMN C=CCC[C@H](O)CN(C)Cc1ccc(F)cc1F ZINC000268619470 132036557 /nfs/dbraw/zinc/03/65/57/132036557.db2.gz HZHBULKIWHAKET-ZDUSSCGKSA-N 0 1 255.308 2.724 20 30 CFEDMN Cc1ccc(C#N)cc1NC(=O)N[C@@H]1CCCc2cn[nH]c21 ZINC000268849600 132077118 /nfs/dbraw/zinc/07/71/18/132077118.db2.gz CHTUCSSNCBXEDP-CYBMUJFWSA-N 0 1 295.346 2.789 20 30 CFEDMN C[C@H](CC(=O)OC(C)(C)C)NCc1ccc(C#N)cc1F ZINC000178790038 393449122 /nfs/dbraw/zinc/44/91/22/393449122.db2.gz HZMPXSJADPKGNE-LLVKDONJSA-N 0 1 292.354 2.907 20 30 CFEDMN Cc1nc(C2CC2)oc1C(=O)C(C#N)c1cc(C)nc(C)n1 ZINC000329511647 393540523 /nfs/dbraw/zinc/54/05/23/393540523.db2.gz KRMAHBRZFUGSIO-LBPRGKRZSA-N 0 1 296.330 2.757 20 30 CFEDMN C[C@@H]1CCC[C@H](NC(=O)N[C@@H]2CCc3nc[nH]c3C2)[C@@H]1C ZINC000329543727 393543087 /nfs/dbraw/zinc/54/30/87/393543087.db2.gz FOSAUGJBNMSBCC-LPWJVIDDSA-N 0 1 290.411 2.595 20 30 CFEDMN CC#CCN1CCC[C@@H](n2ccc(C(F)(F)F)n2)C1 ZINC000182851626 393515584 /nfs/dbraw/zinc/51/55/84/393515584.db2.gz XHWABRNJZMJOOA-LLVKDONJSA-N 0 1 271.286 2.562 20 30 CFEDMN CCC(CC)NC(=O)[C@H](C)N[C@H](C)c1ccc(C#N)cc1 ZINC000037502328 393532611 /nfs/dbraw/zinc/53/26/11/393532611.db2.gz MPINALICWWGYLZ-OLZOCXBDSA-N 0 1 287.407 2.902 20 30 CFEDMN CC[C@@]1(C)CN(Cc2ccc(C#N)cc2C)CCO1 ZINC000190088095 393577760 /nfs/dbraw/zinc/57/77/60/393577760.db2.gz ILVQSXYVGYVBCL-INIZCTEOSA-N 0 1 258.365 2.868 20 30 CFEDMN CCCN(Cc1ccc(C#N)cc1)[C@H](C)c1n[nH]c(C)n1 ZINC000411164589 393677711 /nfs/dbraw/zinc/67/77/11/393677711.db2.gz IEMDESLMJAPGIH-GFCCVEGCSA-N 0 1 283.379 2.958 20 30 CFEDMN CC[C@@H]1CO[C@@H](C)CN1CCCOc1cccc(C#N)c1 ZINC000048915006 393608807 /nfs/dbraw/zinc/60/88/07/393608807.db2.gz ZFPOQOLMOKZSTN-GOEBONIOSA-N 0 1 288.391 2.826 20 30 CFEDMN CN(CCC(=O)Nc1ccc(C#N)cc1)Cc1ccoc1 ZINC000048910323 393609214 /nfs/dbraw/zinc/60/92/14/393609214.db2.gz HKZMYHHDSDTHDY-UHFFFAOYSA-N 0 1 283.331 2.612 20 30 CFEDMN C[C@H]1COC(C)(C)CN1Cc1ccc(CC#N)cc1 ZINC000334641500 393613860 /nfs/dbraw/zinc/61/38/60/393613860.db2.gz OHALZAHAYDEMCP-ZDUSSCGKSA-N 0 1 258.365 2.752 20 30 CFEDMN CCC[C@@H]1CCC[C@H]1C(=O)N=c1[nH]n(C(C)C)cc1C#N ZINC000410544463 393629351 /nfs/dbraw/zinc/62/93/51/393629351.db2.gz WDMKVXHXPSTWNL-TZMCWYRMSA-N 0 1 288.395 2.912 20 30 CFEDMN C=C(C)C(C)(C)C(=O)N1C[C@@H]2CCCCN2C[C@@H]1C ZINC000335093149 393640752 /nfs/dbraw/zinc/64/07/52/393640752.db2.gz HTSWPKDDQKYOQI-KBPBESRZSA-N 0 1 264.413 2.674 20 30 CFEDMN O[C@H]1C[C@H](c2ccccc2)N(CC#Cc2ccccc2)C1 ZINC000411923454 393758588 /nfs/dbraw/zinc/75/85/88/393758588.db2.gz KPCPZGZMNRHNMJ-RBUKOAKNSA-N 0 1 277.367 2.846 20 30 CFEDMN Cc1nc([C@H](C)N2CC=C(c3ccc(C#N)cc3)CC2)n[nH]1 ZINC000411434313 393712538 /nfs/dbraw/zinc/71/25/38/393712538.db2.gz BLIJPCJYRRELKO-LBPRGKRZSA-N 0 1 293.374 2.835 20 30 CFEDMN N#C[C@@H](C(=O)c1csc(C2CC2)n1)c1ccccn1 ZINC000194988755 393726833 /nfs/dbraw/zinc/72/68/33/393726833.db2.gz WCEXKRCKVYLUJI-SNVBAGLBSA-N 0 1 269.329 2.906 20 30 CFEDMN N#CC(C(=O)c1csc(C2CC2)n1)c1ccccn1 ZINC000194988755 393726835 /nfs/dbraw/zinc/72/68/35/393726835.db2.gz WCEXKRCKVYLUJI-SNVBAGLBSA-N 0 1 269.329 2.906 20 30 CFEDMN C=CC[C@@H](Cc1ccccc1)NC(=O)CN(CC)C1CC1 ZINC000412837086 393774258 /nfs/dbraw/zinc/77/42/58/393774258.db2.gz GZWYIVOJCNIJHH-INIZCTEOSA-N 0 1 286.419 2.774 20 30 CFEDMN CCc1oc2ccccc2c1CN1CCN(CC#N)CC1 ZINC000092936257 393793527 /nfs/dbraw/zinc/79/35/27/393793527.db2.gz QWAURXGTVILCJH-UHFFFAOYSA-N 0 1 283.375 2.636 20 30 CFEDMN C[C@H]1SCCN(Cc2cc(C#N)cs2)[C@@H]1C ZINC000093501577 393801150 /nfs/dbraw/zinc/80/11/50/393801150.db2.gz KJZUAMCYWCKJSI-NXEZZACHSA-N 0 1 252.408 2.946 20 30 CFEDMN CCC1(CC)[C@H](N(C)CC2(C#N)CC2)C[C@@H]1OC ZINC000343308296 393883115 /nfs/dbraw/zinc/88/31/15/393883115.db2.gz ZGYPUGMNPIVGKN-OLZOCXBDSA-N 0 1 250.386 2.816 20 30 CFEDMN CN(CC#Cc1ccc(C(F)(F)F)cc1)[C@H]1CCOC1 ZINC000427022557 393891350 /nfs/dbraw/zinc/89/13/50/393891350.db2.gz JPZHOAZMZGUORB-AWEZNQCLSA-N 0 1 283.293 2.778 20 30 CFEDMN N#Cc1c(F)cccc1CN1CCCCC[C@@H]1CCO ZINC000428938221 393923289 /nfs/dbraw/zinc/92/32/89/393923289.db2.gz AHMBRWYPEHHQNN-CQSZACIVSA-N 0 1 276.355 2.824 20 30 CFEDMN COc1cc(C#N)ccc1C[N@H+]1CCS[C@H](C)[C@@H]1C ZINC000121000323 393946337 /nfs/dbraw/zinc/94/63/37/393946337.db2.gz ICPBRZDXLPWRIR-NWDGAFQWSA-N 0 1 276.405 2.893 20 30 CFEDMN COc1cc(C#N)ccc1CN1CCS[C@H](C)[C@@H]1C ZINC000121000323 393946341 /nfs/dbraw/zinc/94/63/41/393946341.db2.gz ICPBRZDXLPWRIR-NWDGAFQWSA-N 0 1 276.405 2.893 20 30 CFEDMN C#CCOc1ccc(C[N@H+]2CCC[C@@H](c3ccn[nH]3)C2)cc1 ZINC000121242364 393952455 /nfs/dbraw/zinc/95/24/55/393952455.db2.gz KBUDODPZQJKSNG-MRXNPFEDSA-N 0 1 295.386 2.801 20 30 CFEDMN C=CC[NH+](CC=C)[C@@H](CN=c1nc(CC)[n-]s1)C(C)C ZINC000348720624 393957179 /nfs/dbraw/zinc/95/71/79/393957179.db2.gz DHEYNVDDQUNUJX-ZDUSSCGKSA-N 0 1 294.468 2.633 20 30 CFEDMN CC(C)NC(=O)C(C#N)c1nc(-c2ccccc2)cs1 ZINC000122056161 393964221 /nfs/dbraw/zinc/96/42/21/393964221.db2.gz NRRPHQLZRYPFLD-LBPRGKRZSA-N 0 1 285.372 2.942 20 30 CFEDMN COc1ccc(C#N)cc1CN1CC(C)=C[C@@H](C)C1 ZINC000430287968 393980564 /nfs/dbraw/zinc/98/05/64/393980564.db2.gz ZPJIUZQKVAXVNJ-GFCCVEGCSA-N 0 1 256.349 2.965 20 30 CFEDMN CC(C)[C@H]1CN(c2c(Cl)cccc2C#N)CCN1C ZINC000487063212 393982050 /nfs/dbraw/zinc/98/20/50/393982050.db2.gz UCKFISKSDRMISJ-CQSZACIVSA-N 0 1 277.799 2.988 20 30 CFEDMN CC(C)[C@H]1CN(c2cc(Cl)ccc2C#N)CC[N@H+]1C ZINC000487099890 393983558 /nfs/dbraw/zinc/98/35/58/393983558.db2.gz NBVMSDSFQGJRQC-OAHLLOKOSA-N 0 1 277.799 2.988 20 30 CFEDMN CC[C@@H](C(=O)Nc1cccc(OCCCC#N)c1)N(C)C ZINC000124878817 393998751 /nfs/dbraw/zinc/99/87/51/393998751.db2.gz NQDJBCNIMLYEGA-HNNXBMFYSA-N 0 1 289.379 2.648 20 30 CFEDMN CC1(C)CN(CC#Cc2cccc(Cl)c2)CC[C@H]1O ZINC000275454600 394046552 /nfs/dbraw/zinc/04/65/52/394046552.db2.gz MERSJXJIAJTTCM-OAHLLOKOSA-N 0 1 277.795 2.784 20 30 CFEDMN C#C[C@@H](NCCC(C)(C)C(=O)OC)c1ccc(F)cc1 ZINC000491715048 394057645 /nfs/dbraw/zinc/05/76/45/394057645.db2.gz ISTMZBNYJITBGI-CQSZACIVSA-N 0 1 277.339 2.679 20 30 CFEDMN C=CCN1CC[C@H](N(Cc2cccs2)C(C)C)C1=O ZINC000281873670 394087473 /nfs/dbraw/zinc/08/74/73/394087473.db2.gz CKZQXQNJLKDCIJ-AWEZNQCLSA-N 0 1 278.421 2.745 20 30 CFEDMN CN(Cc1ccc(C#N)cc1Cl)C[C@H]1CCC[C@H]1O ZINC000439450636 394115169 /nfs/dbraw/zinc/11/51/69/394115169.db2.gz KIMVQVLRBMXZQY-UKRRQHHQSA-N 0 1 278.783 2.804 20 30 CFEDMN C=CCN(CCC#N)C(=O)c1cc(-c2ccccc2)[nH]n1 ZINC000359386606 394131648 /nfs/dbraw/zinc/13/16/48/394131648.db2.gz JIUVWGSSEIUQKJ-UHFFFAOYSA-N 0 1 280.331 2.619 20 30 CFEDMN CC[C@@](C)(C#N)C(=O)N[C@@H]1CCCN(Cc2ccccc2)C1 ZINC000285320455 394140287 /nfs/dbraw/zinc/14/02/87/394140287.db2.gz XIELCMPSOPZRGG-AEFFLSMTSA-N 0 1 299.418 2.707 20 30 CFEDMN CC(C)c1ccc2ncc(C#N)c(N3CCN(C)CC3)c2c1 ZINC000447675169 394152619 /nfs/dbraw/zinc/15/26/19/394152619.db2.gz LAJCYZNPQXBJCV-UHFFFAOYSA-N 0 1 294.402 2.982 20 30 CFEDMN C#CC(C)(C)N(C)Cc1ccc([N+](=O)[O-])c(F)c1 ZINC000285971225 394173940 /nfs/dbraw/zinc/17/39/40/394173940.db2.gz DSJZPIGEHLHRIC-UHFFFAOYSA-N 0 1 250.273 2.578 20 30 CFEDMN CC[C@@H](C)N1CCN(C(=O)/C=C\c2ccc(C#N)cc2)CC1 ZINC000493411815 394235453 /nfs/dbraw/zinc/23/54/53/394235453.db2.gz BXDOVIFWMKHOHJ-WHLNPGIBSA-N 0 1 297.402 2.514 20 30 CFEDMN CC(C)N(Cc1ccc(C#N)cc1F)[C@H]1CCOC1 ZINC000291303732 394238684 /nfs/dbraw/zinc/23/86/84/394238684.db2.gz QZCFYFYQUAXZFN-AWEZNQCLSA-N 0 1 262.328 2.697 20 30 CFEDMN CC[C@H]1CN(CC)CCN1C(=O)/C=C/c1cccc(C#N)c1 ZINC000493661411 394303526 /nfs/dbraw/zinc/30/35/26/394303526.db2.gz OEBDQJSVWBEBOM-IJDCCNJMSA-N 0 1 297.402 2.514 20 30 CFEDMN O[C@H]1CN(CC#Cc2ccc(C(F)(F)F)cc2)CC12CC2 ZINC000372290243 394309166 /nfs/dbraw/zinc/30/91/66/394309166.db2.gz WJNLDNYJQQIQJM-AWEZNQCLSA-N 0 1 295.304 2.514 20 30 CFEDMN N#CCC[C@@H](C#N)CN1CC[C@H](COCc2ccccc2)C1 ZINC000173982478 394377193 /nfs/dbraw/zinc/37/71/93/394377193.db2.gz GNMPIPCWHROHJW-ROUUACIJSA-N 0 1 297.402 2.969 20 30 CFEDMN C[C@@H]1CCN(CC(=O)N(CCC#N)c2ccccc2)[C@@H]1C ZINC000177884732 394385244 /nfs/dbraw/zinc/38/52/44/394385244.db2.gz UBXVFHNYEZDSQX-HUUCEWRRSA-N 0 1 285.391 2.664 20 30 CFEDMN C[C@@H](c1cccc(C#N)c1)N1CC[C@H]2CC[C@@H](C1)[S@@]2=O ZINC000528787052 394405962 /nfs/dbraw/zinc/40/59/62/394405962.db2.gz YYVPUKACLKABBR-UXFYUNLUSA-N 0 1 288.416 2.605 20 30 CFEDMN COC(=O)c1cccc(CN2CC[C@H](C)[C@H](C)C2)c1C#N ZINC000535756067 394542714 /nfs/dbraw/zinc/54/27/14/394542714.db2.gz QPQFYPKBAUKQFW-QWHCGFSZSA-N 0 1 286.375 2.823 20 30 CFEDMN CC(C)(C#N)CCN1CCC[C@@H](OCC(F)(F)F)C1 ZINC000540686277 394651740 /nfs/dbraw/zinc/65/17/40/394651740.db2.gz BQLZGJRGPCIELG-LLVKDONJSA-N 0 1 278.318 2.970 20 30 CFEDMN CC[C@@H]1C[N@@H+](C)CCN1c1ccc(C(F)(F)F)c(C#N)n1 ZINC000558982095 395080116 /nfs/dbraw/zinc/08/01/16/395080116.db2.gz ZTISUVRASISLAG-SNVBAGLBSA-N 0 1 298.312 2.502 20 30 CFEDMN CC[C@@H]1CN(C)CCN1c1ccc(C(F)(F)F)c(C#N)n1 ZINC000558982095 395080120 /nfs/dbraw/zinc/08/01/20/395080120.db2.gz ZTISUVRASISLAG-SNVBAGLBSA-N 0 1 298.312 2.502 20 30 CFEDMN N#Cc1cccc(CN2CCC([C@H]3CCOC3)CC2)c1F ZINC000612132167 395114684 /nfs/dbraw/zinc/11/46/84/395114684.db2.gz AAJPVNJQCUTHFG-INIZCTEOSA-N 0 1 288.366 2.946 20 30 CFEDMN C=CCOc1ccc(-c2nc([C@@H]3CCCN3)no2)cc1 ZINC000647152908 395183797 /nfs/dbraw/zinc/18/37/97/395183797.db2.gz PBCCXJRJOGPXBI-ZDUSSCGKSA-N 0 1 271.320 2.726 20 30 CFEDMN C=C(C)[C@@H](CO)Sc1nc(C=Cc2ccc(C)o2)n[nH]1 ZINC000649456065 395501725 /nfs/dbraw/zinc/50/17/25/395501725.db2.gz OZDOBWDCBMONDZ-ZHRWSRJISA-N 0 1 291.376 2.906 20 30 CFEDMN COCC#CCNC1(c2ccc(OC(F)(F)F)cc2)CC1 ZINC000649715108 395557048 /nfs/dbraw/zinc/55/70/48/395557048.db2.gz LHHSMYWREGEOHZ-UHFFFAOYSA-N 0 1 299.292 2.814 20 30 CFEDMN C=CCN1CC[C@@H](N[C@@H](CC)c2ccccc2F)C1=O ZINC000649740500 395563832 /nfs/dbraw/zinc/56/38/32/395563832.db2.gz BLEIZSQGRAOYGR-LSDHHAIUSA-N 0 1 276.355 2.653 20 30 CFEDMN C=C(C)[C@H](NC[C@@H](COC)OC)c1ccc(F)c(F)c1 ZINC000660312071 413238159 /nfs/dbraw/zinc/23/81/59/413238159.db2.gz NYCGWQYMVMNZQE-WFASDCNBSA-N 0 1 285.334 2.833 20 30 CFEDMN Cc1cc(C#N)nc(Nc2cc3cn[nH]c3cc2C)n1 ZINC000343208337 154143080 /nfs/dbraw/zinc/14/30/80/154143080.db2.gz RNAMVYLMUVFSDU-UHFFFAOYSA-N 0 1 264.292 2.585 20 30 CFEDMN Cc1ccsc1CN1CCN(c2cccc(C#N)n2)CC1 ZINC000355441997 155008942 /nfs/dbraw/zinc/00/89/42/155008942.db2.gz KSBDYPRYHFRTRH-UHFFFAOYSA-N 0 1 298.415 2.645 20 30 CFEDMN N#Cc1ccc(CNCc2cccc3c2OCCO3)s1 ZINC000355701804 155065229 /nfs/dbraw/zinc/06/52/29/155065229.db2.gz KQPCFFUBKWPJSO-UHFFFAOYSA-N 0 1 286.356 2.681 20 30 CFEDMN C[C@@H](NCc1ncc(-c2ccc(C#N)cc2)o1)[C@H]1CCCO1 ZINC000363831592 156197257 /nfs/dbraw/zinc/19/72/57/156197257.db2.gz ZJDNNSPKYKNODK-IUODEOHRSA-N 0 1 297.358 2.870 20 30 CFEDMN N#Cc1ccc(OCCCN2CCC[C@@H]2c2cc[nH]n2)cc1 ZINC000366790424 156239727 /nfs/dbraw/zinc/23/97/27/156239727.db2.gz ARECOSGWXHTQQV-QGZVFWFLSA-N 0 1 296.374 2.887 20 30 CFEDMN Cc1ccc(CN2CC[C@H](Oc3ccc(C#N)cn3)C2)o1 ZINC000367782740 156389515 /nfs/dbraw/zinc/38/95/15/156389515.db2.gz UNPBUYPYIBDVAH-HNNXBMFYSA-N 0 1 283.331 2.508 20 30 CFEDMN N#Cc1cccc(NC(=O)CN2C[C@H]3CCCCC[C@H]32)c1 ZINC000374552138 157128252 /nfs/dbraw/zinc/12/82/52/157128252.db2.gz YXBLGBYOMZFHNO-GDBMZVCRSA-N 0 1 283.375 2.761 20 30 CFEDMN N#Cc1cccc(NC(=O)CN2C[C@@H]3CCCCC[C@@H]32)c1 ZINC000374552144 157128729 /nfs/dbraw/zinc/12/87/29/157128729.db2.gz YXBLGBYOMZFHNO-HOCLYGCPSA-N 0 1 283.375 2.761 20 30 CFEDMN CO[C@@H]1CCCN(Cc2ccc(F)cc2C#N)CC1 ZINC000374681773 157148853 /nfs/dbraw/zinc/14/88/53/157148853.db2.gz WUZAUCQGIYSPTC-OAHLLOKOSA-N 0 1 262.328 2.698 20 30 CFEDMN N#Cc1ccccc1CN[C@@H](c1nnc[nH]1)c1ccccc1 ZINC000375396370 157239109 /nfs/dbraw/zinc/23/91/09/157239109.db2.gz UVCAVNVRTIIERU-MRXNPFEDSA-N 0 1 289.342 2.556 20 30 CFEDMN N#Cc1ccc(CN2CCC(c3cnccn3)CC2)cc1F ZINC000375727528 157275832 /nfs/dbraw/zinc/27/58/32/157275832.db2.gz QPBAVBVYODSTTB-UHFFFAOYSA-N 0 1 296.349 2.867 20 30 CFEDMN C=CCN1C(=O)N=NC1SC[C@@H]1CC[C@@H]2C[C@@H]2C1 ZINC000657252098 413366400 /nfs/dbraw/zinc/36/64/00/413366400.db2.gz SAMAVIYMXRVFJB-MXWKQRLJSA-N 0 1 265.382 2.698 20 30 CFEDMN C=C(C)CN(C)Cc1ccc(C(C)C)cc(=O)c1O ZINC000663829084 413400116 /nfs/dbraw/zinc/40/01/16/413400116.db2.gz AKNRYXIARIWGBJ-UHFFFAOYSA-N 0 1 261.365 2.884 20 30 CFEDMN C=CCCn1cc(CN2CC[C@]3(CC[C@@H](C)C3)C2)nn1 ZINC000653612432 413405402 /nfs/dbraw/zinc/40/54/02/413405402.db2.gz PGHGCIZATIFMPC-ZBFHGGJFSA-N 0 1 274.412 2.866 20 30 CFEDMN C=CCCNC(=O)NC[C@H](c1ccco1)N(CC)CC ZINC000663848429 413410616 /nfs/dbraw/zinc/41/06/16/413410616.db2.gz GUVROBASCZFEQZ-CYBMUJFWSA-N 0 1 279.384 2.538 20 30 CFEDMN C=C1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1c([O-])nnn1-c1ccccc1 ZINC000663890510 413427635 /nfs/dbraw/zinc/42/76/35/413427635.db2.gz HDCKHGMFFOSALY-GASCZTMLSA-N 0 1 296.374 2.656 20 30 CFEDMN CC[N@H+]1CCCC[C@@H]1CNCc1ccc(C#N)cc1F ZINC000344315293 162004609 /nfs/dbraw/zinc/00/46/09/162004609.db2.gz ICYWAMWALFDKLG-OAHLLOKOSA-N 0 1 275.371 2.661 20 30 CFEDMN Cc1ccsc1[C@@H](CO)NCc1cc(C#N)cs1 ZINC000344713079 162104770 /nfs/dbraw/zinc/10/47/70/162104770.db2.gz POKRNRWGAIXVBA-GFCCVEGCSA-N 0 1 278.402 2.813 20 30 CFEDMN CCN1C[C@H](C)N(C(=O)Nc2ccc(C#N)cc2)C[C@@H]1C ZINC000345885767 162270564 /nfs/dbraw/zinc/27/05/64/162270564.db2.gz QVGAWXXARUYLDF-STQMWFEESA-N 0 1 286.379 2.505 20 30 CFEDMN CC(C)(CO)[C@@H](NCC#Cc1ccccc1)c1cccnc1 ZINC000660640469 413453730 /nfs/dbraw/zinc/45/37/30/413453730.db2.gz XGDDKJROAJYEKW-SFHVURJKSA-N 0 1 294.398 2.783 20 30 CFEDMN N#Cc1csc(CNCCCOC2CCCCC2)n1 ZINC000352820484 163243411 /nfs/dbraw/zinc/24/34/11/163243411.db2.gz CZDCIPLKVGEXNR-UHFFFAOYSA-N 0 1 279.409 2.844 20 30 CFEDMN COc1ccc(C#N)cc1CN1CC[C@H](COC(F)F)C1 ZINC000353021859 163287579 /nfs/dbraw/zinc/28/75/79/163287579.db2.gz KIZYJNPDEKYZCK-LBPRGKRZSA-N 0 1 296.317 2.628 20 30 CFEDMN N#Cc1cc(CN2CC[C@H](COC(F)F)C2)ccc1F ZINC000353024565 163291218 /nfs/dbraw/zinc/29/12/18/163291218.db2.gz HNLJPVVGAJPFOL-NSHDSACASA-N 0 1 284.281 2.758 20 30 CFEDMN C=CCCn1cc(CN[C@@H]2C[C@H](OC(C)C)C2(C)C)nn1 ZINC000653736163 413470525 /nfs/dbraw/zinc/47/05/25/413470525.db2.gz HBQKNQKQSVQVOI-CABCVRRESA-N 0 1 292.427 2.536 20 30 CFEDMN C[C@@H](c1cccc(C#N)c1)N1CCC[C@@H](N2CCCC2=O)C1 ZINC000336345394 287142027 /nfs/dbraw/zinc/14/20/27/287142027.db2.gz MNQVUGRPNKSBDO-WMLDXEAASA-N 0 1 297.402 2.706 20 30 CFEDMN C[C@H]1CCC[C@H](C)N1CC(=O)Nc1ccc(C#N)cc1 ZINC000009997932 170394498 /nfs/dbraw/zinc/39/44/98/170394498.db2.gz VOSQQEYGGZTJEZ-STQMWFEESA-N 0 1 271.364 2.760 20 30 CFEDMN C=CCCn1cc(CN[C@H]2CCO[C@@H](C(C)(C)C)C2)nn1 ZINC000657422308 413582922 /nfs/dbraw/zinc/58/29/22/413582922.db2.gz ODCJWBLSMAHFJZ-DZGCQCFKSA-N 0 1 292.427 2.538 20 30 CFEDMN C=CC[C@H]1CC[C@@H](NCc2nnc(CC)s2)C1 ZINC000651813929 413654917 /nfs/dbraw/zinc/65/49/17/413654917.db2.gz CXZYPWNWDSQGMB-WDEREUQCSA-N 0 1 251.399 2.935 20 30 CFEDMN C=CCOCCNCc1nc(C(C)C)n2ccccc12 ZINC000651757791 413617241 /nfs/dbraw/zinc/61/72/41/413617241.db2.gz CVYHZICSSWYNOD-UHFFFAOYSA-N 0 1 273.380 2.750 20 30 CFEDMN N#CC[C@@H]1CCCN(CCC(=O)c2ccccc2)C1 ZINC000661156308 413792311 /nfs/dbraw/zinc/79/23/11/413792311.db2.gz XLXBJPVKSGSHQJ-AWEZNQCLSA-N 0 1 256.349 2.885 20 30 CFEDMN C=CC[C@@H]1CCCC[C@H]1[NH2+]Cc1nc(CC)cc(=O)[n-]1 ZINC000661113896 413765588 /nfs/dbraw/zinc/76/55/88/413765588.db2.gz CITDFLLCVOXJBC-TZMCWYRMSA-N 0 1 275.396 2.969 20 30 CFEDMN C=C(CC)CNC(=O)NC[C@@H]1CCN1Cc1ccccc1 ZINC000661289359 413873925 /nfs/dbraw/zinc/87/39/25/413873925.db2.gz FXIWBNJSABYHGS-INIZCTEOSA-N 0 1 287.407 2.526 20 30 CFEDMN C=CCOCCCNCc1ncc(Br)s1 ZINC000657658449 413827314 /nfs/dbraw/zinc/82/73/14/413827314.db2.gz YRTITCXEYFTNGE-UHFFFAOYSA-N 0 1 291.214 2.588 20 30 CFEDMN C=C(CC)CNC(=O)c1ccc(CN(CC)CC)o1 ZINC000654376624 413836462 /nfs/dbraw/zinc/83/64/62/413836462.db2.gz MFCSTOLIKWISAG-UHFFFAOYSA-N 0 1 264.369 2.817 20 30 CFEDMN C=CC[C@@H]1CCCN([C@@H](C(N)=O)c2ccc(F)cc2)C1 ZINC000661381589 413941601 /nfs/dbraw/zinc/94/16/01/413941601.db2.gz MWCSIZFEOJZXTJ-IUODEOHRSA-N 0 1 276.355 2.640 20 30 CFEDMN C=CC[C@H]1CCCN(CC(=O)Nc2ccc(OC)cc2)C1 ZINC000661381065 413942590 /nfs/dbraw/zinc/94/25/90/413942590.db2.gz USVUJJMFUJBTKJ-AWEZNQCLSA-N 0 1 288.391 2.922 20 30 CFEDMN C=CC[C@H]1CCCN(CC(=O)Nc2ccccc2OC)C1 ZINC000661379621 413943167 /nfs/dbraw/zinc/94/31/67/413943167.db2.gz FIZWEMJLCUPVRF-AWEZNQCLSA-N 0 1 288.391 2.922 20 30 CFEDMN C=CC[C@@H]1CCCN(Cc2nccc(OC)c2OC)C1 ZINC000661386887 413944749 /nfs/dbraw/zinc/94/47/49/413944749.db2.gz VRMQMZLMXVXORI-CYBMUJFWSA-N 0 1 276.380 2.887 20 30 CFEDMN C=CCCCCCNC(=O)N(C)[C@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000654665813 413951096 /nfs/dbraw/zinc/95/10/96/413951096.db2.gz QLCZEQPDABLSRF-CABCVRRESA-N 0 1 281.444 2.857 20 30 CFEDMN Cn1nccc1C1=CCN(Cc2cccc(C#N)c2)CC1 ZINC000285577017 196333313 /nfs/dbraw/zinc/33/33/13/196333313.db2.gz KRIVZZYOKIOYKL-UHFFFAOYSA-N 0 1 278.359 2.581 20 30 CFEDMN C=CCC[C@H](O)CN1CC(C)(C)[C@@H]1c1cccnc1 ZINC000664825533 413962709 /nfs/dbraw/zinc/96/27/09/413962709.db2.gz KQWBMISEMOKIEO-GJZGRUSLSA-N 0 1 260.381 2.792 20 30 CFEDMN CCC#C[C@@H](C)N1Cc2cnn(C)c2CC(C)(C)C1 ZINC000664879191 413991589 /nfs/dbraw/zinc/99/15/89/413991589.db2.gz ZCYZJYXWDUXQMP-CYBMUJFWSA-N 0 1 259.397 2.606 20 30 CFEDMN C=CCC1(NC(=O)NCc2n[nH]c(C(C)C)n2)CCCC1 ZINC000664992007 414046913 /nfs/dbraw/zinc/04/69/13/414046913.db2.gz ZAKRQINMUSRTIO-UHFFFAOYSA-N 0 1 291.399 2.616 20 30 CFEDMN CN(Cc1cc(C#N)ccc1F)[C@@H]1CCSC1 ZINC000037174877 173009539 /nfs/dbraw/zinc/00/95/39/173009539.db2.gz SXCOMEBOPBDBJQ-GFCCVEGCSA-N 0 1 250.342 2.635 20 30 CFEDMN C=CCC1(NCc2nc([C@@H](C)OC)no2)CCCC1 ZINC000661867815 414280421 /nfs/dbraw/zinc/28/04/21/414280421.db2.gz ZKZPVHNOLWWAGC-LLVKDONJSA-N 0 1 265.357 2.756 20 30 CFEDMN FC(F)(F)c1ccc(C#CCN2CCC3(COC3)C2)cc1 ZINC000662074323 414396577 /nfs/dbraw/zinc/39/65/77/414396577.db2.gz HGOSHVUOMKFRPO-UHFFFAOYSA-N 0 1 295.304 2.779 20 30 CFEDMN C[C@@H]1CN(CC#Cc2cccc(Cl)c2)C[C@@]1(C)CO ZINC000662141284 414426753 /nfs/dbraw/zinc/42/67/53/414426753.db2.gz FWIIKUHEDAVRJV-CJNGLKHVSA-N 0 1 277.795 2.642 20 30 CFEDMN C=C1C[C@H]2CC[C@@H](C1)N2CC(=O)Nc1cccc(OC)c1 ZINC000662078669 414399060 /nfs/dbraw/zinc/39/90/60/414399060.db2.gz FMVQJVJVRXPGEW-GASCZTMLSA-N 0 1 286.375 2.817 20 30 CFEDMN C=C1C[C@H]2CC[C@@H](C1)N2CC(=O)Nc1cccc(F)c1 ZINC000662081436 414400886 /nfs/dbraw/zinc/40/08/86/414400886.db2.gz OYQUMJRRRJFDRC-GASCZTMLSA-N 0 1 274.339 2.947 20 30 CFEDMN C=CCOc1ccccc1CN[C@H]1c2ccccc2C[C@@H]1O ZINC000655845267 414474991 /nfs/dbraw/zinc/47/49/91/414474991.db2.gz AEHCBQRWAXNLTK-HKUYNNGSSA-N 0 1 295.382 2.999 20 30 CFEDMN C=CCOc1ccc(C[N@H+](CC(=O)[O-])C2CCC2)cc1 ZINC000656100771 414512052 /nfs/dbraw/zinc/51/20/52/414512052.db2.gz OHMNPAGCRMPIAH-UHFFFAOYSA-N 0 1 275.348 2.691 20 30 CFEDMN C=CC[C@H]1CCCN(C(=O)[C@@H]2Cc3ccccc3CN2)C1 ZINC000662857081 414622225 /nfs/dbraw/zinc/62/22/25/414622225.db2.gz CXENYHOJDUCCKJ-YOEHRIQHSA-N 0 1 284.403 2.516 20 30 CFEDMN C#CC[C@H](NCc1c(C)cnn1C)c1ccccc1 ZINC000286574572 196645945 /nfs/dbraw/zinc/64/59/45/196645945.db2.gz PVJXKBSYAWVGQF-HNNXBMFYSA-N 0 1 253.349 2.583 20 30 CFEDMN CCN(CC)CC(=O)Nc1sc(C)c(C)c1C#N ZINC000078316556 177332818 /nfs/dbraw/zinc/33/28/18/177332818.db2.gz LSOGDPXYOQAXQD-UHFFFAOYSA-N 0 1 265.382 2.517 20 30 CFEDMN C[C@@H](NC(=O)NCC[C@H]1CCC[C@@H](C)C1)c1nnc[nH]1 ZINC000329245860 227379148 /nfs/dbraw/zinc/37/91/48/227379148.db2.gz AKASEOUAAARFEV-IJLUTSLNSA-N 0 1 279.388 2.586 20 30 CFEDMN N#Cc1ccsc1NC(=O)CCN1CCSCC1 ZINC000329007855 227256606 /nfs/dbraw/zinc/25/66/06/227256606.db2.gz NOWJLHMSKPKWTE-UHFFFAOYSA-N 0 1 281.406 2.647 20 30 CFEDMN Cc1n[nH]c(CCNC(=O)[C@@H](C)OC2CCCCCC2)n1 ZINC000329126361 227313391 /nfs/dbraw/zinc/31/33/91/227313391.db2.gz YMAKUYYHRDFOBR-LLVKDONJSA-N 0 1 294.399 2.740 20 30 CFEDMN O=C(NC[C@@H]1CCCC(F)(F)C1)[C@H]1CCc2[nH]nnc2C1 ZINC000329140022 227322473 /nfs/dbraw/zinc/32/24/73/227322473.db2.gz STLNWHVJSCKUIC-ZJUUUORDSA-N 0 1 298.337 2.692 20 30 CFEDMN O=C(NC[C@@H]1CCCC(F)(F)C1)[C@H]1CCc2nn[nH]c2C1 ZINC000329140022 227322478 /nfs/dbraw/zinc/32/24/78/227322478.db2.gz STLNWHVJSCKUIC-ZJUUUORDSA-N 0 1 298.337 2.692 20 30 CFEDMN C[C@H]1OCCC[C@@H]1C(=O)Nc1cccc(-c2cn[nH]n2)c1 ZINC000330142038 228048742 /nfs/dbraw/zinc/04/87/42/228048742.db2.gz XZDXZAVRVDOEOD-MFKMUULPSA-N 0 1 286.335 2.875 20 30 CFEDMN CCn1cc(-c2[nH]ncc2C(=O)N[C@H]2CC=CCC2)cn1 ZINC000330216163 228069500 /nfs/dbraw/zinc/06/95/00/228069500.db2.gz HNFOFEXFPJMCPT-LBPRGKRZSA-N 0 1 285.351 2.706 20 30 CFEDMN CCOc1ncccc1CNC(=O)[C@@H]1CCCN1C1CC1 ZINC000330272596 228087823 /nfs/dbraw/zinc/08/78/23/228087823.db2.gz XUCVVZWNYQCGPU-AWEZNQCLSA-N 0 1 289.379 2.564 20 30 CFEDMN C=CCNC(=O)[C@H](C)N1CCC(c2ccsc2)CC1 ZINC000186943913 260024717 /nfs/dbraw/zinc/02/47/17/260024717.db2.gz YZMLESQJSGIAQN-LBPRGKRZSA-N 0 1 278.421 2.618 20 30 CFEDMN C[C@H]1C[C@H](C)CN(CC(=O)N(CCC#N)c2ccccc2)C1 ZINC000069874622 260263352 /nfs/dbraw/zinc/26/33/52/260263352.db2.gz FBJBEQRAZOJYPA-HOTGVXAUSA-N 0 1 299.418 2.911 20 30 CFEDMN CCN(CC(=O)Nc1ccccc1SCC#N)C1CC1 ZINC000072560345 260277130 /nfs/dbraw/zinc/27/71/30/260277130.db2.gz MKVLRWZCNVMLMJ-UHFFFAOYSA-N 0 1 289.404 2.725 20 30 CFEDMN CSc1ccc(O[C@@H](C)C(=O)Nc2nnc(C)[nH]2)cc1 ZINC000076991749 260295055 /nfs/dbraw/zinc/29/50/55/260295055.db2.gz FDNZOJYEEMXXPY-QMMMGPOBSA-N 0 1 292.364 2.891 20 30 CFEDMN CSc1ccc(O[C@@H](C)C(=O)Nc2nc(C)n[nH]2)cc1 ZINC000076991749 260295057 /nfs/dbraw/zinc/29/50/57/260295057.db2.gz FDNZOJYEEMXXPY-QMMMGPOBSA-N 0 1 292.364 2.891 20 30 CFEDMN CCN(CC(=O)N[C@@H](C#N)c1ccc(Cl)cc1)C1CC1 ZINC000152307769 261062857 /nfs/dbraw/zinc/06/28/57/261062857.db2.gz SASQZVGGOUCQPY-AWEZNQCLSA-N 0 1 291.782 2.505 20 30 CFEDMN C=C(Cl)CN[C@@H]1CCN(C(C)=O)Cc2ccccc21 ZINC000361109199 261160983 /nfs/dbraw/zinc/16/09/83/261160983.db2.gz SFOZPRQKNOLEMH-OAHLLOKOSA-N 0 1 278.783 2.822 20 30 CFEDMN C#CCN1CCC(C(=O)N2CCCC[C@H]2[C@H](C)CC)CC1 ZINC000490670366 261181729 /nfs/dbraw/zinc/18/17/29/261181729.db2.gz MAHAMLYWGFRJHL-WBVHZDCISA-N 0 1 290.451 2.759 20 30 CFEDMN C#CCN1CCC(C(=O)OCc2c(C)cccc2C)CC1 ZINC000490866986 261231762 /nfs/dbraw/zinc/23/17/62/261231762.db2.gz XXALHVSORGAXIN-UHFFFAOYSA-N 0 1 285.387 2.692 20 30 CFEDMN Cc1ccc(CNCc2ccc(OCC#N)cc2)o1 ZINC000053036427 261271586 /nfs/dbraw/zinc/27/15/86/261271586.db2.gz QKHWAVUXXKIAMX-UHFFFAOYSA-N 0 1 256.305 2.780 20 30 CFEDMN CCN(C)[C@@H](C(=O)N(CC)C[C@@H](C)C#N)c1ccccc1 ZINC000104040022 261289743 /nfs/dbraw/zinc/28/97/43/261289743.db2.gz MAFKOMPTCOYORG-GOEBONIOSA-N 0 1 287.407 2.688 20 30 CFEDMN C=CC[C@@H](C)NC(=O)CCc1nc2cccc(C)c2[nH]1 ZINC000176615394 261301820 /nfs/dbraw/zinc/30/18/20/261301820.db2.gz YZZGKJJHBFVJHX-GFCCVEGCSA-N 0 1 271.364 2.885 20 30 CFEDMN N#CCCCCN[C@@H](c1ncc[nH]1)c1ccccc1 ZINC000187950219 262146511 /nfs/dbraw/zinc/14/65/11/262146511.db2.gz REPWZKDVLBRSIP-CQSZACIVSA-N 0 1 254.337 2.783 20 30 CFEDMN N#CCC[C@H](C#N)CSc1nc(Cc2ccccc2)n[nH]1 ZINC000193117263 262216440 /nfs/dbraw/zinc/21/64/40/262216440.db2.gz BYUQEMJLBCNTTD-CYBMUJFWSA-N 0 1 297.387 2.931 20 30 CFEDMN C=CC1CCN(CC(=O)NCc2sccc2C)CC1 ZINC000111260011 262259046 /nfs/dbraw/zinc/25/90/46/262259046.db2.gz UREMZEQCRJXXOA-UHFFFAOYSA-N 0 1 278.421 2.571 20 30 CFEDMN C[C@H](CCC#N)N1CCC[C@@H](NC(=O)OC(C)(C)C)C1 ZINC000496644765 262349777 /nfs/dbraw/zinc/34/97/77/262349777.db2.gz AMGFYBVNUYUGFX-CHWSQXEVSA-N 0 1 281.400 2.668 20 30 CFEDMN C=CCCCN(C)CCCS(=O)(=O)c1ccc(F)cc1 ZINC000336826977 262397931 /nfs/dbraw/zinc/39/79/31/262397931.db2.gz ZEIKKLBJZGZODB-UHFFFAOYSA-N 0 1 299.411 2.888 20 30 CFEDMN C[C@@H](C#N)CN(CCCOCC(F)(F)F)C1CC1 ZINC000338376940 262529849 /nfs/dbraw/zinc/52/98/49/262529849.db2.gz MJHWYNOBMNSNQQ-JTQLQIEISA-N 0 1 264.291 2.579 20 30 CFEDMN CC1(C#N)CCN(C[C@H]2CN(c3ccccc3)C(=O)O2)CC1 ZINC000272600637 263007252 /nfs/dbraw/zinc/00/72/52/263007252.db2.gz QURVOKBMAKXHCW-HNNXBMFYSA-N 0 1 299.374 2.637 20 30 CFEDMN COCCOc1ccc(CN2CCC(C)(C#N)CC2)cc1 ZINC000272587057 263007409 /nfs/dbraw/zinc/00/74/09/263007409.db2.gz ZMMQZKMISQCTIV-UHFFFAOYSA-N 0 1 288.391 2.837 20 30 CFEDMN COC[C@H](C/N=C/c1cc(Cl)cc(Cl)c1O)OC ZINC000272637218 263007869 /nfs/dbraw/zinc/00/78/69/263007869.db2.gz MXGHWWXWBDHKCI-XSFFOXFNSA-N 0 1 292.162 2.779 20 30 CFEDMN Cc1ccnc(OC2CCN(CCCC#N)CC2)c1 ZINC000272886970 263009570 /nfs/dbraw/zinc/00/95/70/263009570.db2.gz DHHCQSCETUEOQZ-UHFFFAOYSA-N 0 1 259.353 2.537 20 30 CFEDMN C=C[C@@](C)(CCOC)c1nc([C@H](N)CC(C)C)no1 ZINC000414613279 263009646 /nfs/dbraw/zinc/00/96/46/263009646.db2.gz FXFILANCFOFRRD-RISCZKNCSA-N 0 1 267.373 2.596 20 30 CFEDMN COc1ccc(CNCCCC#N)c(OC(F)F)c1 ZINC000273008894 263010955 /nfs/dbraw/zinc/01/09/55/263010955.db2.gz BOZBAOVYSNXXLO-UHFFFAOYSA-N 0 1 270.279 2.690 20 30 CFEDMN COc1cccc2c1CCN(CCC(C)(C)C#N)C2 ZINC000273048020 263011469 /nfs/dbraw/zinc/01/14/69/263011469.db2.gz XZEYNORBTWZFST-UHFFFAOYSA-N 0 1 258.365 2.993 20 30 CFEDMN C=C(C)[C@H]1OCC[C@H]1c1nc([C@H](N)CC(C)C)no1 ZINC000414620141 263013504 /nfs/dbraw/zinc/01/35/04/263013504.db2.gz PPMNGZYXZKHLFT-IJLUTSLNSA-N 0 1 265.357 2.564 20 30 CFEDMN C[C@@H](Cn1cccn1)NCc1ccc(Cl)cc1C#N ZINC000274783433 263030243 /nfs/dbraw/zinc/03/02/43/263030243.db2.gz LHVXEPACRQVDGP-NSHDSACASA-N 0 1 274.755 2.586 20 30 CFEDMN CC1(C)CCCN(C(=O)c2c(O)cccc2F)[C@H]1C#N ZINC000277616191 263042321 /nfs/dbraw/zinc/04/23/21/263042321.db2.gz VTAGEXBNJGHTTC-LBPRGKRZSA-N 0 1 276.311 2.686 20 30 CFEDMN COc1ccccc1N1CCN([C@H]2CC[C@@H](C#N)C2)CC1 ZINC000278502550 263048363 /nfs/dbraw/zinc/04/83/63/263048363.db2.gz AKRMZHGWTBOTGM-CABCVRRESA-N 0 1 285.391 2.509 20 30 CFEDMN CC(C)(C)c1n[nH]c(S[C@@H]2CC[C@H](C#N)C2)n1 ZINC000278662125 263049281 /nfs/dbraw/zinc/04/92/81/263049281.db2.gz XCKHYFXDDVBODT-DTWKUNHWSA-N 0 1 250.371 2.887 20 30 CFEDMN CC(C)(C)c1nc(S[C@@H]2CC[C@H](C#N)C2)n[nH]1 ZINC000278662125 263049282 /nfs/dbraw/zinc/04/92/82/263049282.db2.gz XCKHYFXDDVBODT-DTWKUNHWSA-N 0 1 250.371 2.887 20 30 CFEDMN C[N@@H+](Cc1nc(=O)c2sccc2[n-]1)[C@@H]1CC[C@H](C#N)C1 ZINC000278759494 263050795 /nfs/dbraw/zinc/05/07/95/263050795.db2.gz XTDDAXYBMSUVTB-VHSXEESVSA-N 0 1 288.376 2.521 20 30 CFEDMN Cc1nc2c(cccc2C(=O)N(CC#N)C2CCCC2)[nH]1 ZINC000284191320 263086142 /nfs/dbraw/zinc/08/61/42/263086142.db2.gz YZIGEWIXELIFHJ-UHFFFAOYSA-N 0 1 282.347 2.780 20 30 CFEDMN N#C[C@@H]1CC[C@@H](Sc2nc(-c3ccccc3O)n[nH]2)C1 ZINC000287573309 263102106 /nfs/dbraw/zinc/10/21/06/263102106.db2.gz PWLIVPBPBOIGGV-NXEZZACHSA-N 0 1 286.360 2.962 20 30 CFEDMN C[C@H](CF)NCc1cn(CCC#N)nc1-c1ccccc1 ZINC000288441873 263104404 /nfs/dbraw/zinc/10/44/04/263104404.db2.gz LYGCDWWLAAIXRF-CYBMUJFWSA-N 0 1 286.354 2.911 20 30 CFEDMN N#CCCCCN1CCC2(C1)Oc1ccccc1O2 ZINC000288998621 263106835 /nfs/dbraw/zinc/10/68/35/263106835.db2.gz MEBJWUZJDFPHGW-UHFFFAOYSA-N 0 1 258.321 2.554 20 30 CFEDMN C=CCOCC(=O)Nc1ccc2nc(C(F)F)[nH]c2c1 ZINC000340333469 263115280 /nfs/dbraw/zinc/11/52/80/263115280.db2.gz ZHISQHOCYNQDAJ-UHFFFAOYSA-N 0 1 281.262 2.642 20 30 CFEDMN N#C[C@H]1CC[C@H](N2CCN(c3cccs3)CC2)C1 ZINC000292920887 263136502 /nfs/dbraw/zinc/13/65/02/263136502.db2.gz XZJOECNPWXUZQJ-STQMWFEESA-N 0 1 261.394 2.562 20 30 CFEDMN Cc1nc2sccn2c1CN(C)[C@@H]1CC[C@H](C#N)C1 ZINC000293904147 263152178 /nfs/dbraw/zinc/15/21/78/263152178.db2.gz WGZRDERBMDGURF-NWDGAFQWSA-N 0 1 274.393 2.828 20 30 CFEDMN C[C@H](NCCOCCC#N)c1cccc(F)c1F ZINC000294603856 263164381 /nfs/dbraw/zinc/16/43/81/263164381.db2.gz NULSFUJBEGMPEI-JTQLQIEISA-N 0 1 254.280 2.546 20 30 CFEDMN C=CCCCN[C@@H](c1cn[nH]n1)c1ccc(F)cc1 ZINC000340504122 263174563 /nfs/dbraw/zinc/17/45/63/263174563.db2.gz CWMLRSDJXUQMMB-CQSZACIVSA-N 0 1 260.316 2.589 20 30 CFEDMN CCOc1cc(CN2CCC(C)(C#N)CC2)ccc1O ZINC000297705157 263208444 /nfs/dbraw/zinc/20/84/44/263208444.db2.gz QTFKWYKJUQDIDH-UHFFFAOYSA-N 0 1 274.364 2.917 20 30 CFEDMN COc1ccc(N2CCN([C@H](C)CCC#N)CC2)cc1F ZINC000298734815 263224670 /nfs/dbraw/zinc/22/46/70/263224670.db2.gz VOQRHTMNYFIGKT-CYBMUJFWSA-N 0 1 291.370 2.649 20 30 CFEDMN CC(C)[C@@](C)(C#N)NC(=O)CN(C)[C@H](C)c1ccccc1 ZINC000298797154 263225986 /nfs/dbraw/zinc/22/59/86/263225986.db2.gz HFLIXQNIMPBISX-RHSMWYFYSA-N 0 1 287.407 2.734 20 30 CFEDMN Cc1ccccc1[C@H](C)N(C)CC(=O)N[C@](C)(C#N)C1CC1 ZINC000298846624 263227194 /nfs/dbraw/zinc/22/71/94/263227194.db2.gz KGYPFHBSZQTHNR-KBXCAEBGSA-N 0 1 299.418 2.796 20 30 CFEDMN Cc1ccccc1[C@@H](C)N(C)CC(=O)N[C@@](C)(C#N)C1CC1 ZINC000298846629 263227226 /nfs/dbraw/zinc/22/72/26/263227226.db2.gz KGYPFHBSZQTHNR-KDOFPFPSSA-N 0 1 299.418 2.796 20 30 CFEDMN CN(CC(C)(C)C#N)C(=O)[C@@H]1CCCN1Cc1ccccc1 ZINC000353214162 263274552 /nfs/dbraw/zinc/27/45/52/263274552.db2.gz QYMBNDDQUVFXCY-INIZCTEOSA-N 0 1 299.418 2.659 20 30 CFEDMN C=CCc1cc(CN2CC(CC)C2)cc(OC)c1O ZINC000453599128 263279584 /nfs/dbraw/zinc/27/95/84/263279584.db2.gz BMXPFMDVZAZLIQ-UHFFFAOYSA-N 0 1 261.365 2.971 20 30 CFEDMN CC#CCN1CCC[C@H]1c1ccc(OC)c(OC)c1 ZINC000120099731 263280648 /nfs/dbraw/zinc/28/06/48/263280648.db2.gz XZLMPSIQMJGVGP-AWEZNQCLSA-N 0 1 259.349 2.864 20 30 CFEDMN C=CCCSc1nc(-c2ccc3c(c2)OCCO3)n[nH]1 ZINC000340707420 263300206 /nfs/dbraw/zinc/30/02/06/263300206.db2.gz NJYJBEGVIMNBGI-UHFFFAOYSA-N 0 1 289.360 2.911 20 30 CFEDMN C=C(C)CN(CC)C(=O)CN[C@H](C)c1cccc(OC)c1 ZINC000341207219 263326224 /nfs/dbraw/zinc/32/62/24/263326224.db2.gz JSMZYFRYWNVCDF-CQSZACIVSA-N 0 1 290.407 2.770 20 30 CFEDMN CC#CCCCC(=O)NCc1nc2cccc(C)c2[nH]1 ZINC000341331112 263331371 /nfs/dbraw/zinc/33/13/71/263331371.db2.gz NFBAZWFXUVDHOX-UHFFFAOYSA-N 0 1 269.348 2.681 20 30 CFEDMN COCC1(C#N)CCN(CCc2ccccc2F)CC1 ZINC000341987715 263381130 /nfs/dbraw/zinc/38/11/30/263381130.db2.gz HSDWERNGHCLELL-UHFFFAOYSA-N 0 1 276.355 2.620 20 30 CFEDMN C=C[C@H]1CCCCN1Cc1cnn(CC(F)F)c1 ZINC000353231794 264051121 /nfs/dbraw/zinc/05/11/21/264051121.db2.gz JWQUZIAQFDOTLJ-LBPRGKRZSA-N 0 1 255.312 2.689 20 30 CFEDMN C[C@@H]1CC[C@H]([NH+]=C([O-])N(C)CCn2cccn2)C[C@H]1C ZINC000330849135 264067076 /nfs/dbraw/zinc/06/70/76/264067076.db2.gz MUHSRLWZYXBUMP-MCIONIFRSA-N 0 1 278.400 2.554 20 30 CFEDMN CC(C)c1cc(C(=O)NCc2cnc[nH]2)nn1C(C)(C)C ZINC000330914366 264076411 /nfs/dbraw/zinc/07/64/11/264076411.db2.gz YFGUMUXTGSTDIN-UHFFFAOYSA-N 0 1 289.383 2.989 20 30 CFEDMN CC(C)CN(C)C([O-])=[NH+][C@@H]1CCCC[C@@H]1n1cccn1 ZINC000330975974 264101494 /nfs/dbraw/zinc/10/14/94/264101494.db2.gz OCRXOFWEZHHYHC-KGLIPLIRSA-N 0 1 278.400 2.869 20 30 CFEDMN CCc1noc(C)c1NC(=O)c1ncc(C)cc1O ZINC000331211258 264162640 /nfs/dbraw/zinc/16/26/40/264162640.db2.gz RPAGLWGMXMJDHZ-UHFFFAOYSA-N 0 1 261.281 2.591 20 30 CFEDMN C[C@H](O)[C@H]1CCCCN1CC#Cc1cccc(Cl)c1 ZINC000160055615 264223772 /nfs/dbraw/zinc/22/37/72/264223772.db2.gz OIQQUIUIIFZXLT-XJKSGUPXSA-N 0 1 277.795 2.927 20 30 CFEDMN C=C[C@](C)(CC)C(=O)N1CCN([C@@H](C)CC)CC1 ZINC000456538222 264250284 /nfs/dbraw/zinc/25/02/84/264250284.db2.gz XDEOZAYZUFBQQT-DZGCQCFKSA-N 0 1 252.402 2.531 20 30 CFEDMN C=CCCCN(C)[C@H](C)C(=O)Nc1ccccc1[N+](=O)[O-] ZINC000076736222 264343183 /nfs/dbraw/zinc/34/31/83/264343183.db2.gz OKQXCMDKXWQKFI-GFCCVEGCSA-N 0 1 291.351 2.820 20 30 CFEDMN C=C(C)CN(CC)C(=O)CN(C)CCc1ccc(F)cc1 ZINC000055023491 264350008 /nfs/dbraw/zinc/35/00/08/264350008.db2.gz YDHMKVPZPXZUCC-UHFFFAOYSA-N 0 1 292.398 2.725 20 30 CFEDMN Cc1cccc2nc(CCC(=O)N[C@@H]3CC[C@H](C#N)C3)[nH]c21 ZINC000424962911 264399012 /nfs/dbraw/zinc/39/90/12/264399012.db2.gz BNTYLKVLGVKJTC-QWHCGFSZSA-N 0 1 296.374 2.612 20 30 CFEDMN C[C@H](O)[C@H]1CCCN(Cc2ccc(C#N)cc2Cl)C1 ZINC000525893739 266002796 /nfs/dbraw/zinc/00/27/96/266002796.db2.gz KNNFTLSQWKAMOJ-AAEUAGOBSA-N 0 1 278.783 2.804 20 30 CFEDMN CC#CCN(CCC)C[C@@H]1COc2ccccc2O1 ZINC000357611819 266335240 /nfs/dbraw/zinc/33/52/40/266335240.db2.gz ZCZADCYPKRDVDR-CQSZACIVSA-N 0 1 259.349 2.562 20 30 CFEDMN CC[C@@H]1CN(Cc2ccc(C#N)cc2)C[C@@H](CC)O1 ZINC000398533050 266379758 /nfs/dbraw/zinc/37/97/58/266379758.db2.gz RWBZUPTWXXZJIO-HZPDHXFCSA-N 0 1 258.365 2.948 20 30 CFEDMN Clc1ccc(C#CCN2CCC[C@@]23CCOC3)cc1 ZINC000367450092 267091382 /nfs/dbraw/zinc/09/13/82/267091382.db2.gz NPQVIUUJBCLAFA-INIZCTEOSA-N 0 1 275.779 2.946 20 30 CFEDMN C=CCCCN1CCN(C(=O)c2ccc(CC)cc2)CC1 ZINC000117872687 267224451 /nfs/dbraw/zinc/22/44/51/267224451.db2.gz HCDHQZIAYBJFQX-UHFFFAOYSA-N 0 1 286.419 2.973 20 30 CFEDMN N#CCCCCN1CCCN(C(=O)c2cccs2)CC1 ZINC000369273644 267229985 /nfs/dbraw/zinc/22/99/85/267229985.db2.gz IHJZBLLNOHSJGA-UHFFFAOYSA-N 0 1 291.420 2.590 20 30 CFEDMN C[C@H]1CN(c2cccnc2C#N)CCN1Cc1ccccc1 ZINC000396427867 267239726 /nfs/dbraw/zinc/23/97/26/267239726.db2.gz YMLJDCHSSPBKTA-HNNXBMFYSA-N 0 1 292.386 2.664 20 30 CFEDMN C=CCCCN(C)CC(=O)Nc1cc([N+](=O)[O-])ccc1C ZINC000121068692 267551505 /nfs/dbraw/zinc/55/15/05/267551505.db2.gz BFMLGXCZDDZITG-UHFFFAOYSA-N 0 1 291.351 2.740 20 30 CFEDMN CC[C@@H](CC#N)NCc1nc2c(s1)CN(C(C)C)CC2 ZINC000376927551 268030833 /nfs/dbraw/zinc/03/08/33/268030833.db2.gz QLFBEHQDAVYJIR-LBPRGKRZSA-N 0 1 292.452 2.691 20 30 CFEDMN N#Cc1c2c(cnc1N1CCC(c3ccn[nH]3)CC1)CCC2 ZINC000516646386 268168933 /nfs/dbraw/zinc/16/89/33/268168933.db2.gz RAOJOBMVNMWNCY-UHFFFAOYSA-N 0 1 293.374 2.549 20 30 CFEDMN Cc1ccc(C#N)cc1NC(=O)c1ccc2cncn2c1 ZINC000339894464 274736289 /nfs/dbraw/zinc/73/62/89/274736289.db2.gz PUFJQTAMTGNIEY-UHFFFAOYSA-N 0 1 276.299 2.767 20 30 CFEDMN C#CCN(C[C@H](O)c1ccc(Br)cc1)C1CC1 ZINC000274188640 275381207 /nfs/dbraw/zinc/38/12/07/275381207.db2.gz PTHOAIILJVYNTB-AWEZNQCLSA-N 0 1 294.192 2.580 20 30 CFEDMN CCN(CC(=O)N[C@H]1CCCc2cc(C#N)ccc21)C1CC1 ZINC000416099842 276084949 /nfs/dbraw/zinc/08/49/49/276084949.db2.gz LUUXLDKOKDFYMJ-KRWDZBQOSA-N 0 1 297.402 2.536 20 30 CFEDMN C=CCCC(=O)N1CCNC[C@@H]1c1ccc(CC)cc1 ZINC000286095851 276883130 /nfs/dbraw/zinc/88/31/30/276883130.db2.gz NJZXFNNXLGIQQR-MRXNPFEDSA-N 0 1 272.392 2.688 20 30 CFEDMN COC[C@H](N[C@@H](C)c1ccc(C#N)cc1F)[C@@H]1CCCO1 ZINC000433001451 277263034 /nfs/dbraw/zinc/26/30/34/277263034.db2.gz IAPWMJVLKOGGAD-UVBJJODRSA-N 0 1 292.354 2.542 20 30 CFEDMN C[C@H](N[C@@H]1CCc2ccc(C#N)cc21)c1cn[nH]c1 ZINC000335185040 278276516 /nfs/dbraw/zinc/27/65/16/278276516.db2.gz FSKCWCSWUUDGLJ-ZUZCIYMTSA-N 0 1 252.321 2.619 20 30 CFEDMN C[C@@H](N[C@H](C)c1ccc(C#N)cc1)c1ccnn1C ZINC000235215677 278378687 /nfs/dbraw/zinc/37/86/87/278378687.db2.gz KSYZIUIWNKTIAI-VXGBXAGGSA-N 0 1 254.337 2.704 20 30 CFEDMN C[C@@H](N[C@H](C)c1ccc(C#N)cc1)C(=O)NC1CCCC1 ZINC000037749628 278378709 /nfs/dbraw/zinc/37/87/09/278378709.db2.gz JNJLBZCQDYXSGV-CHWSQXEVSA-N 0 1 285.391 2.656 20 30 CFEDMN C[C@H](NCC(=O)N(C)c1ccccc1)c1ccc(C#N)cc1 ZINC000338363215 279459046 /nfs/dbraw/zinc/45/90/46/279459046.db2.gz QSGCYPYIDFSYPB-AWEZNQCLSA-N 0 1 293.370 2.872 20 30 CFEDMN CC(C)[C@H](C)N(C(=O)N[C@@H]1CCc2nc[nH]c2C1)C1CC1 ZINC000329731595 280199895 /nfs/dbraw/zinc/19/98/95/280199895.db2.gz IIGXQXJGQWZJNS-NWDGAFQWSA-N 0 1 290.411 2.690 20 30 CFEDMN CCC(CC)NC(=O)[C@@H](C)N[C@@H](C)c1ccc(C#N)cc1 ZINC000037502325 289822894 /nfs/dbraw/zinc/82/28/94/289822894.db2.gz MPINALICWWGYLZ-QWHCGFSZSA-N 0 1 287.407 2.902 20 30 CFEDMN Cc1cc(C[N@@H+]2C[C@@H](C(=O)[O-])CC[C@@H]2C)ccc1C#N ZINC000422637294 301275064 /nfs/dbraw/zinc/27/50/64/301275064.db2.gz QTOIAMPDVGGFQJ-WFASDCNBSA-N 0 1 272.348 2.552 20 30 CFEDMN N#CCCC1CCN(C(=O)c2c(O)cccc2F)CC1 ZINC000335385367 335092256 /nfs/dbraw/zinc/09/22/56/335092256.db2.gz WJZYHEOKRLXYQK-UHFFFAOYSA-N 0 1 276.311 2.687 20 30 CFEDMN CC[C@@H](CC#N)NC[C@@H](O)COc1cc(C)ccc1Cl ZINC000570981830 327969106 /nfs/dbraw/zinc/96/91/06/327969106.db2.gz XWMDURIBWFUSDS-QWHCGFSZSA-N 0 1 296.798 2.670 20 30 CFEDMN C=CCN1C(=O)N=NC1S[C@H]1CCC[C@@H](C)C1 ZINC000531850522 328044945 /nfs/dbraw/zinc/04/49/45/328044945.db2.gz SYMHRYWEKUHGFO-ZJUUUORDSA-N 0 1 253.371 2.841 20 30 CFEDMN C=CCN(CC=C)C[C@@H]1CN(c2ccccc2)CCO1 ZINC000563355818 328057690 /nfs/dbraw/zinc/05/76/90/328057690.db2.gz NRQOOBBHDSNWFI-QGZVFWFLSA-N 0 1 272.392 2.566 20 30 CFEDMN C=CCCCCCN[C@H](C(N)=O)c1ccc(F)cc1 ZINC000563420118 328063995 /nfs/dbraw/zinc/06/39/95/328063995.db2.gz LRXAWNVKDYZREI-AWEZNQCLSA-N 0 1 264.344 2.688 20 30 CFEDMN CN(C)[C@H]1CCOc2c(NC(=O)C3(C#N)CCC3)cccc21 ZINC000563660789 328082588 /nfs/dbraw/zinc/08/25/88/328082588.db2.gz QJPIBWOAMWQNDZ-AWEZNQCLSA-N 0 1 299.374 2.704 20 30 CFEDMN N#CC(C(=O)Nc1ccccn1)c1nc2ccccc2s1 ZINC000340037496 328116449 /nfs/dbraw/zinc/11/64/49/328116449.db2.gz MHGUSHYWFVWUQP-JTQLQIEISA-N 0 1 294.339 2.937 20 30 CFEDMN C[C@@H](CC#N)N(C)CCCOCCc1ccccc1 ZINC000268267410 328183646 /nfs/dbraw/zinc/18/36/46/328183646.db2.gz BEQNKQRDHRYODL-HNNXBMFYSA-N 0 1 260.381 2.870 20 30 CFEDMN N#CCCCNCc1cc([N+](=O)[O-])ccc1OC(F)F ZINC000273080632 328203844 /nfs/dbraw/zinc/20/38/44/328203844.db2.gz QRCSZHGBYDDEFO-UHFFFAOYSA-N 0 1 285.250 2.590 20 30 CFEDMN C=CCOc1cccc(C[N@@H+](C)CCCC(=O)[O-])c1 ZINC000414643773 328206967 /nfs/dbraw/zinc/20/69/67/328206967.db2.gz YESFQUMNMQSQNH-UHFFFAOYSA-N 0 1 263.337 2.548 20 30 CFEDMN COc1cc2c(cc1OC)CN([C@H]1CC[C@@H](C#N)C1)CC2 ZINC000278591653 328227686 /nfs/dbraw/zinc/22/76/86/328227686.db2.gz LDPYMLSJPPUKTF-DOMZBBRYSA-N 0 1 286.375 2.754 20 30 CFEDMN N#CCCCN[C@@H](CO)c1ccccc1OC(F)(F)F ZINC000280337162 328235130 /nfs/dbraw/zinc/23/51/30/328235130.db2.gz IEAGQDUKKQVRDM-NSHDSACASA-N 0 1 288.269 2.512 20 30 CFEDMN COc1cc(C[N@@H+](C)[C@H]2CC[C@@H](C#N)C2)cc(OC)c1 ZINC000292942062 328274125 /nfs/dbraw/zinc/27/41/25/328274125.db2.gz BADJVCODOKNODM-OCCSQVGLSA-N 0 1 274.364 2.828 20 30 CFEDMN C=C(C)CN1CC[C@@H]1CN(C)C(=O)[C@H]1[C@@H]2CCCC[C@@H]21 ZINC001085531873 782091007 /nfs/dbraw/zinc/09/10/07/782091007.db2.gz BPFKMQAMNDKKDR-WCVJEAGWSA-N 0 1 276.424 2.531 20 30 CFEDMN CCn1nnc(C)c1CN[C@H]1CCCc2cc(C#N)ccc21 ZINC000569440754 322472728 /nfs/dbraw/zinc/47/27/28/322472728.db2.gz HAVHECUJLSFOOY-INIZCTEOSA-N 0 1 295.390 2.645 20 30 CFEDMN CCO[C@@H]1C[C@H]1NCc1ccc(C#N)cc1C(F)(F)F ZINC000571486126 322584850 /nfs/dbraw/zinc/58/48/50/322584850.db2.gz QEUZFAMXPOGCKI-CHWSQXEVSA-N 0 1 284.281 2.844 20 30 CFEDMN CC(C)c1cc(NCC(C)(C)CCC#N)nc(N(C)C)n1 ZINC000340929725 328402394 /nfs/dbraw/zinc/40/23/94/328402394.db2.gz AXFHOVPVEVIHCI-UHFFFAOYSA-N 0 1 289.427 2.830 20 30 CFEDMN N#Cc1csc(CN[C@H]2CCN(c3ccccc3)C2=O)c1 ZINC000177698681 323701490 /nfs/dbraw/zinc/70/14/90/323701490.db2.gz GGJQFUWUUNASRK-HNNXBMFYSA-N 0 1 297.383 2.515 20 30 CFEDMN N#Cc1ccc(CN[C@H]2CCO[C@@H]2c2ccccc2)nc1 ZINC000577121983 324699881 /nfs/dbraw/zinc/69/98/81/324699881.db2.gz LEICVTARSKXNNB-DLBZAZTESA-N 0 1 279.343 2.573 20 30 CFEDMN CC(=Cc1cc(C)ccc1F)c1nc(C)c(C#N)c(=O)[nH]1 ZINC000578080650 324814880 /nfs/dbraw/zinc/81/48/80/324814880.db2.gz PGKRXNCNNSXULM-JXMROGBWSA-N 0 1 283.306 2.958 20 30 CFEDMN CC(=Cc1ccc(F)c(C)c1)c1nc(C)c(C#N)c(=O)[nH]1 ZINC000580272165 325020244 /nfs/dbraw/zinc/02/02/44/325020244.db2.gz UKDAJKWAMZPPPD-JXMROGBWSA-N 0 1 283.306 2.958 20 30 CFEDMN N#Cc1csc(CNCc2cccc(N3CCC3=O)c2)c1 ZINC000581922899 325160133 /nfs/dbraw/zinc/16/01/33/325160133.db2.gz OAWJPGQAGRHZKF-UHFFFAOYSA-N 0 1 297.383 2.646 20 30 CFEDMN CC[C@H](CC#N)NCCC(=O)Nc1ccccc1Cl ZINC000580342859 328545965 /nfs/dbraw/zinc/54/59/65/328545965.db2.gz BVSSMNXWGXTLPR-LLVKDONJSA-N 0 1 279.771 2.950 20 30 CFEDMN C=C(C)C[C@H](C)C(=O)N1[C@H](C)CN(CC)C[C@H]1C ZINC000344438500 328558623 /nfs/dbraw/zinc/55/86/23/328558623.db2.gz WXOTUQNSGIJCCX-BFHYXJOUSA-N 0 1 252.402 2.530 20 30 CFEDMN C[C@H](C#N)CNC[C@H](O)CO[C@@H](C)c1ccc(Cl)cc1 ZINC000573083770 327089916 /nfs/dbraw/zinc/08/99/16/327089916.db2.gz FOOPFJAWJMQYKA-XUJVJEKNSA-N 0 1 296.798 2.528 20 30 CFEDMN N#C[C@@H]1CC[C@H](NCc2ccn(Cc3ccccc3)n2)C1 ZINC000560270683 327295036 /nfs/dbraw/zinc/29/50/36/327295036.db2.gz QBAVWUUQAWADAT-CVEARBPZSA-N 0 1 280.375 2.713 20 30 CFEDMN N#CCC[C@H](C#N)CNCC1(c2ccccn2)CCC1 ZINC000560446447 327308941 /nfs/dbraw/zinc/30/89/41/327308941.db2.gz SAOMVIRZIBKQMC-CQSZACIVSA-N 0 1 268.364 2.536 20 30 CFEDMN C#CCN1CCC(C(=O)N2CCC[C@@H](CC(C)C)C2)CC1 ZINC000151931654 327527005 /nfs/dbraw/zinc/52/70/05/327527005.db2.gz FFXMXRMTJOSXQB-INIZCTEOSA-N 0 1 290.451 2.616 20 30 CFEDMN Clc1cccc(C#CCN2CCC[C@]23CCOC3)c1 ZINC000377407405 329014384 /nfs/dbraw/zinc/01/43/84/329014384.db2.gz AIPWUGVJJWCLJI-MRXNPFEDSA-N 0 1 275.779 2.946 20 30 CFEDMN C#Cc1ccc(C[N@@H+]2CCCC[C@H]2C(=O)N2CCCC2)cc1 ZINC000377656329 329023279 /nfs/dbraw/zinc/02/32/79/329023279.db2.gz XJLPJYACYTZHSY-SFHVURJKSA-N 0 1 296.414 2.645 20 30 CFEDMN C#Cc1ccc(CN2CCCC[C@H]2C(=O)N2CCCC2)cc1 ZINC000377656329 329023281 /nfs/dbraw/zinc/02/32/81/329023281.db2.gz XJLPJYACYTZHSY-SFHVURJKSA-N 0 1 296.414 2.645 20 30 CFEDMN C#Cc1ccc(C[N@@H+]2CCC[C@@H](c3ccn[nH]3)C2)cc1 ZINC000377657988 329023436 /nfs/dbraw/zinc/02/34/36/329023436.db2.gz IXWRVDTWJUVNGC-MRXNPFEDSA-N 0 1 265.360 2.771 20 30 CFEDMN CCCCCCCCNC(=O)N[C@@H]1CCc2nc[nH]c2C1 ZINC000378077390 329038967 /nfs/dbraw/zinc/03/89/67/329038967.db2.gz UNKCBIGHYYMSPX-CYBMUJFWSA-N 0 1 292.427 2.927 20 30 CFEDMN C=C(CC)CN1CCN(c2ccc(F)cc2OC)CC1 ZINC000582682024 329127920 /nfs/dbraw/zinc/12/79/20/329127920.db2.gz AWKZXWVQFODAPY-UHFFFAOYSA-N 0 1 278.371 2.923 20 30 CFEDMN C#CCCCNC(=O)[C@H]1CCCCN1Cc1ccccc1 ZINC000173366142 329146432 /nfs/dbraw/zinc/14/64/32/329146432.db2.gz SREWCVJFFGQHOV-QGZVFWFLSA-N 0 1 284.403 2.571 20 30 CFEDMN N#CCN1CCN(Cc2ccc(-c3ccccc3)cc2)CC1 ZINC000174136885 329154766 /nfs/dbraw/zinc/15/47/66/329154766.db2.gz WNHSFHZAIPIGKC-UHFFFAOYSA-N 0 1 291.398 2.995 20 30 CFEDMN C[C@@]1(O)CCN(CC#Cc2ccc(C(F)(F)F)cc2)C1 ZINC000177371238 329186041 /nfs/dbraw/zinc/18/60/41/329186041.db2.gz ZFBCWNOMMMVAPM-CQSZACIVSA-N 0 1 283.293 2.514 20 30 CFEDMN CCc1nc(SCC#Cc2ccc(F)cc2)n[nH]1 ZINC000135289034 329199414 /nfs/dbraw/zinc/19/94/14/329199414.db2.gz HMFZIZXIVXOWLQ-UHFFFAOYSA-N 0 1 261.325 2.650 20 30 CFEDMN CCc1n[nH]c(SCC#Cc2ccc(F)cc2)n1 ZINC000135289034 329199416 /nfs/dbraw/zinc/19/94/16/329199416.db2.gz HMFZIZXIVXOWLQ-UHFFFAOYSA-N 0 1 261.325 2.650 20 30 CFEDMN C=CCNC(=O)CN[C@@H](C)c1ccc(-c2ccncc2)cc1 ZINC000180900051 329224003 /nfs/dbraw/zinc/22/40/03/329224003.db2.gz OMUNFPJTIZUHMP-AWEZNQCLSA-N 0 1 295.386 2.701 20 30 CFEDMN C=C(C)CN(C)[C@@H](C)c1cc(C)c(C(=O)OC)o1 ZINC000181275797 329229156 /nfs/dbraw/zinc/22/91/56/329229156.db2.gz XFBZJNFFKLRGPX-NSHDSACASA-N 0 1 251.326 2.944 20 30 CFEDMN C[C@H]1CCC[C@@H](CO)N1CC#Cc1cccc(Cl)c1 ZINC000181384012 329232627 /nfs/dbraw/zinc/23/26/27/329232627.db2.gz XKMNSBHNFCORHG-BBRMVZONSA-N 0 1 277.795 2.927 20 30 CFEDMN C=CC[C@H](CO)NCc1csc(-c2cccs2)n1 ZINC000184285224 329258663 /nfs/dbraw/zinc/25/86/63/329258663.db2.gz SGTUWJDYFOKEHW-SNVBAGLBSA-N 0 1 280.418 2.898 20 30 CFEDMN C=CCCC[C@H](C)NC(=O)c1ccc(-c2nnc[nH]2)cc1 ZINC000186317117 329340677 /nfs/dbraw/zinc/34/06/77/329340677.db2.gz MYPIEUXEQLXLOT-LBPRGKRZSA-N 0 1 284.363 2.946 20 30 CFEDMN C=CCOc1cccc(NC(=O)CN(CC)CC)c1 ZINC000063805119 329399357 /nfs/dbraw/zinc/39/93/57/329399357.db2.gz YXNDFDMYQAXSGN-UHFFFAOYSA-N 0 1 262.353 2.532 20 30 CFEDMN C=CCCOCCNCc1cc(F)c(F)cc1F ZINC000120871424 329551456 /nfs/dbraw/zinc/55/14/56/329551456.db2.gz VIWMWHSBCDGEPT-UHFFFAOYSA-N 0 1 259.271 2.786 20 30 CFEDMN C#C[C@@H](C)NCc1cc(OC)c(OC)cc1SC ZINC000123129963 329555786 /nfs/dbraw/zinc/55/57/86/329555786.db2.gz UJWUHPOTKCBCGX-SNVBAGLBSA-N 0 1 265.378 2.537 20 30 CFEDMN N#CCC[C@@H](C#N)CNCCc1nc2c(s1)CCCC2 ZINC000572065059 329940345 /nfs/dbraw/zinc/94/03/45/329940345.db2.gz KGAHGQWTEUIADG-LBPRGKRZSA-N 0 1 288.420 2.598 20 30 CFEDMN C#Cc1cccc(NC(=O)N[C@@H]2CCCc3cn[nH]c32)c1 ZINC000268972778 330067120 /nfs/dbraw/zinc/06/71/20/330067120.db2.gz ZZPIMEUDJKBISH-CQSZACIVSA-N 0 1 280.331 2.590 20 30 CFEDMN COc1cccc(N2CCN([C@H]3CC[C@H](C#N)C3)CC2)c1 ZINC000429727269 330127005 /nfs/dbraw/zinc/12/70/05/330127005.db2.gz BRIPUFLIRWMIDK-HOCLYGCPSA-N 0 1 285.391 2.509 20 30 CFEDMN Cc1ccccc1NC(=O)CCN(CCC#N)CC1CC1 ZINC000081514855 330212401 /nfs/dbraw/zinc/21/24/01/330212401.db2.gz SMAKKGBICKRWSE-UHFFFAOYSA-N 0 1 285.391 2.949 20 30 CFEDMN C[C@H](NCC(=O)NC1(C#N)CCC1)c1cc2ccccc2o1 ZINC000527214139 330237330 /nfs/dbraw/zinc/23/73/30/330237330.db2.gz FGUVTMOPEZWNLU-LBPRGKRZSA-N 0 1 297.358 2.646 20 30 CFEDMN C=CC[C@H](CO)N[C@H](C)c1cc(-c2ccccc2)n(C)n1 ZINC000527889752 330292168 /nfs/dbraw/zinc/29/21/68/330292168.db2.gz IDEGQKBAROMLFH-UKRRQHHQSA-N 0 1 285.391 2.675 20 30 CFEDMN COc1cc([C@@H](C)N[C@@H]2CC[C@H](C#N)C2)c(F)cn1 ZINC000424324835 330341184 /nfs/dbraw/zinc/34/11/84/330341184.db2.gz KGMHWUYRCIPZHX-OUAUKWLOSA-N 0 1 263.316 2.572 20 30 CFEDMN C=C[C@@H]1OCCC[C@H]1c1nc([C@@H](N)CC(C)C)no1 ZINC000424338124 330343713 /nfs/dbraw/zinc/34/37/13/330343713.db2.gz MURLXNTZXZDDSP-WOPDTQHZSA-N 0 1 265.357 2.564 20 30 CFEDMN N#CCc1ccc(-c2nc(C3(N)CCCCC3)no2)cc1 ZINC000424339331 330343941 /nfs/dbraw/zinc/34/39/41/330343941.db2.gz CNEVKXUXFTUCOO-UHFFFAOYSA-N 0 1 282.347 2.921 20 30 CFEDMN Cc1cc2c[nH]nc2c(C(=O)N(C[C@H](C)C#N)C2CC2)c1 ZINC000533141511 330350647 /nfs/dbraw/zinc/35/06/47/330350647.db2.gz UAPIGKUAPRUZSJ-LLVKDONJSA-N 0 1 282.347 2.636 20 30 CFEDMN C=CCN(C)[C@H](C)C(=O)N1CCC[C@@H]1c1cccs1 ZINC000121152016 330395917 /nfs/dbraw/zinc/39/59/17/330395917.db2.gz GNDRYEKXOFRJJP-CHWSQXEVSA-N 0 1 278.421 2.918 20 30 CFEDMN N#CCN1CCN(Cc2cccc(-c3ccccc3)c2)CC1 ZINC000092936406 330414937 /nfs/dbraw/zinc/41/49/37/330414937.db2.gz CAXXNOXRPMJJQY-UHFFFAOYSA-N 0 1 291.398 2.995 20 30 CFEDMN COc1cccc(N2CCN([C@@H]3CC[C@H](C#N)C3)CC2)c1 ZINC000429727268 330553999 /nfs/dbraw/zinc/55/39/99/330553999.db2.gz BRIPUFLIRWMIDK-GOEBONIOSA-N 0 1 285.391 2.509 20 30 CFEDMN Cc1noc([C@@H](C)NCCCCC(C)(C)C#N)n1 ZINC000444679891 330818942 /nfs/dbraw/zinc/81/89/42/330818942.db2.gz NMTLCVPVUASUPC-SNVBAGLBSA-N 0 1 250.346 2.749 20 30 CFEDMN C=CC1CCN(Cc2cc(C(=O)OCC)c(C)[nH]2)CC1 ZINC000449035407 330894167 /nfs/dbraw/zinc/89/41/67/330894167.db2.gz NVZHWFJGXISLMC-UHFFFAOYSA-N 0 1 276.380 2.898 20 30 CFEDMN N#CC1(CN2CCN(CCc3cccs3)CC2)CCC1 ZINC000450282101 330970539 /nfs/dbraw/zinc/97/05/39/330970539.db2.gz GDLFODAZXVDBTQ-UHFFFAOYSA-N 0 1 289.448 2.602 20 30 CFEDMN C=CC1CCN(Cc2ccn(CC(F)(F)F)n2)CC1 ZINC000450394402 330976119 /nfs/dbraw/zinc/97/61/19/330976119.db2.gz SVEVYWIKVVQEHW-UHFFFAOYSA-N 0 1 273.302 2.843 20 30 CFEDMN CCOC(=O)C(C)(C)C1CCN(CC2(C#N)CCC2)CC1 ZINC000450979665 331009981 /nfs/dbraw/zinc/00/99/81/331009981.db2.gz REZLYIMVXWTSBD-UHFFFAOYSA-N 0 1 292.423 2.982 20 30 CFEDMN C=CCN(CC=C)C(=O)CN(C)CCc1ccccc1C ZINC000451172436 331018654 /nfs/dbraw/zinc/01/86/54/331018654.db2.gz WIKIZYXOGDMXNX-UHFFFAOYSA-N 0 1 286.419 2.670 20 30 CFEDMN CC(C)(C#N)CCN1C[C@H](c2ccccc2)[C@@](F)(CO)C1 ZINC000451288379 331023297 /nfs/dbraw/zinc/02/32/97/331023297.db2.gz VLMJMPZIJHFJPN-WBVHZDCISA-N 0 1 290.382 2.726 20 30 CFEDMN CCO[C@H]1CCN(CC#Cc2ccc(F)cc2)C[C@H]1C ZINC000451538377 331033138 /nfs/dbraw/zinc/03/31/38/331033138.db2.gz JFJGJHUREMCHOX-PBHICJAKSA-N 0 1 275.367 2.924 20 30 CFEDMN C=C[C@@H]1OCC[C@H]1NCc1cccc(F)c1Cl ZINC000451609821 331036773 /nfs/dbraw/zinc/03/67/73/331036773.db2.gz RBMDWVIJOZJTRX-NEPJUHHUSA-N 0 1 255.720 2.912 20 30 CFEDMN C=CCCCCCN1CCCC[C@@H]1CS(C)(=O)=O ZINC000451654342 331037915 /nfs/dbraw/zinc/03/79/15/331037915.db2.gz VAYDHVWLDLSGBM-CQSZACIVSA-N 0 1 273.442 2.632 20 30 CFEDMN Cc1n[nH]c(C(C)C)c1C(=O)N[C@H]1CC[C@@H](CC#N)C1 ZINC000452564228 331069336 /nfs/dbraw/zinc/06/93/36/331069336.db2.gz ZMXCBFLCBAKVOM-RYUDHWBXSA-N 0 1 274.368 2.654 20 30 CFEDMN C=CCC[C@@H](NCc1nn(C)cc1Cl)C1CC1 ZINC000453328078 331117260 /nfs/dbraw/zinc/11/72/60/331117260.db2.gz VBLUCQPWZWAGIV-GFCCVEGCSA-N 0 1 253.777 2.908 20 30 CFEDMN C=C(CC)CN[C@@H](c1nnc[nH]1)c1ccc(F)cc1 ZINC000453366279 331123381 /nfs/dbraw/zinc/12/33/81/331123381.db2.gz PMBBGXKBOITXPT-CYBMUJFWSA-N 0 1 260.316 2.589 20 30 CFEDMN C=C(C)CCNC(=O)NC[C@H](c1ccsc1)N(C)C ZINC000454234459 331142410 /nfs/dbraw/zinc/14/24/10/331142410.db2.gz DHNCMGLOJIEWAD-CYBMUJFWSA-N 0 1 281.425 2.616 20 30 CFEDMN C=CCC1(CNC(=O)CN(C)[C@H]2CCSC2)CCCC1 ZINC000456490072 331194049 /nfs/dbraw/zinc/19/40/49/331194049.db2.gz WIOKNLFADPRBCC-AWEZNQCLSA-N 0 1 296.480 2.676 20 30 CFEDMN C[C@H]1CC[C@H](C)N1CC(=O)Nc1cccc(CC#N)c1 ZINC000456738910 331199606 /nfs/dbraw/zinc/19/96/06/331199606.db2.gz VHPJZTRQLLDNNH-STQMWFEESA-N 0 1 271.364 2.564 20 30 CFEDMN CCN(C)[C@@H](C(=O)NCC(C)(C)CC#N)c1ccccc1 ZINC000457984289 331238691 /nfs/dbraw/zinc/23/86/91/331238691.db2.gz CKULQHASATYHNV-OAHLLOKOSA-N 0 1 287.407 2.735 20 30 CFEDMN C=CCCC[C@H](C)NC(=O)N1CCN(CC)C[C@H]1CC ZINC000458619983 331254454 /nfs/dbraw/zinc/25/44/54/331254454.db2.gz NBWGMQABUBXMBX-LSDHHAIUSA-N 0 1 281.444 2.857 20 30 CFEDMN Cn1cncc1CCN1CCC[C@H]1[C@@H](C#N)c1ccccc1 ZINC000459363628 331278430 /nfs/dbraw/zinc/27/84/30/331278430.db2.gz RQGIQOZDGSXAIL-ROUUACIJSA-N 0 1 294.402 2.734 20 30 CFEDMN COC(=O)CC1(NCC#Cc2ccccc2Cl)CCC1 ZINC000459392035 331279819 /nfs/dbraw/zinc/27/98/19/331279819.db2.gz SXAUKGVGQWGHFW-UHFFFAOYSA-N 0 1 291.778 2.767 20 30 CFEDMN Cc1ccccc1NC(=O)CCN[C@H]1CCC[C@H]1C#N ZINC000459464487 331283041 /nfs/dbraw/zinc/28/30/41/331283041.db2.gz MJKIKPYQQWPMRQ-ZFWWWQNUSA-N 0 1 271.364 2.606 20 30 CFEDMN CC(C)(O)C1CN(Cc2cccc(OCCCC#N)c2)C1 ZINC000459605861 331290338 /nfs/dbraw/zinc/29/03/38/331290338.db2.gz BDAXMUIQJZMDAF-UHFFFAOYSA-N 0 1 288.391 2.572 20 30 CFEDMN CCOC[C@@H]1CCCCN1CC#Cc1ccccc1 ZINC000459716939 331295467 /nfs/dbraw/zinc/29/54/67/331295467.db2.gz QLAOIOBCPCIRNO-KRWDZBQOSA-N 0 1 257.377 2.929 20 30 CFEDMN CC#CCCN1C[C@H](C2CCCCC2)C[C@@H]1C(=O)OC ZINC000462317151 331319421 /nfs/dbraw/zinc/31/94/21/331319421.db2.gz PNBMSTRKMHMVPA-HZPDHXFCSA-N 0 1 277.408 2.844 20 30 CFEDMN CC#CCCN1CCN(c2cc(C)ccc2C)CC1 ZINC000462326431 331319857 /nfs/dbraw/zinc/31/98/57/331319857.db2.gz LIKQPWKXWWKBKB-UHFFFAOYSA-N 0 1 256.393 2.839 20 30 CFEDMN C=C[C@H]1CCCCN1CC(=O)N(C)Cc1ccccc1C ZINC000489422449 332051251 /nfs/dbraw/zinc/05/12/51/332051251.db2.gz FEZLKXGBMUDIGO-KRWDZBQOSA-N 0 1 286.419 2.994 20 30 CFEDMN C=C[C@@H]1CCCCN1CC(=O)N(CC)CCCC ZINC000489428584 332051573 /nfs/dbraw/zinc/05/15/73/332051573.db2.gz NILVCMPKYNEGNN-CQSZACIVSA-N 0 1 252.402 2.676 20 30 CFEDMN C=C[C@H]1CCCCN1CC(=O)NCCC(C)(C)C ZINC000489443115 332052686 /nfs/dbraw/zinc/05/26/86/332052686.db2.gz UXEWVLZBUPKOII-ZDUSSCGKSA-N 0 1 252.402 2.579 20 30 CFEDMN C=C[C@H]1CCCCN1Cc1ccc2c(c1)OCCO2 ZINC000489485787 332055762 /nfs/dbraw/zinc/05/57/62/332055762.db2.gz SPXWVUPPTFRZEE-AWEZNQCLSA-N 0 1 259.349 2.998 20 30 CFEDMN C=C[C@H]1CCCCN1Cc1cccc(C(=O)N(C)C)c1 ZINC000489500626 332057076 /nfs/dbraw/zinc/05/70/76/332057076.db2.gz SPEYXWVKTXMGPA-INIZCTEOSA-N 0 1 272.392 2.929 20 30 CFEDMN C#CCN1CCC(C(=O)N([C@H](C)[C@@H](C)CC)C2CC2)CC1 ZINC000490616101 332095539 /nfs/dbraw/zinc/09/55/39/332095539.db2.gz IGKULSLRCNWEAI-LSDHHAIUSA-N 0 1 290.451 2.757 20 30 CFEDMN C#C[C@H](C)N(C)Cc1c[nH]nc1-c1ccc(F)cc1 ZINC000491327144 332191095 /nfs/dbraw/zinc/19/10/95/332191095.db2.gz TVVKMGUWJRTKFW-NSHDSACASA-N 0 1 257.312 2.669 20 30 CFEDMN C#C[C@@H](C)N(C)Cc1ccc(OCC=C)c(OC)c1 ZINC000491623242 332247790 /nfs/dbraw/zinc/24/77/90/332247790.db2.gz HTPMGSNHOWZZKK-CYBMUJFWSA-N 0 1 259.349 2.714 20 30 CFEDMN C#CCN(C)Cc1cc(Cl)c2c(c1)OCCCO2 ZINC000491624853 332248930 /nfs/dbraw/zinc/24/89/30/332248930.db2.gz KZQMVOICNPUDAC-UHFFFAOYSA-N 0 1 265.740 2.566 20 30 CFEDMN C#C[C@H](CC)NCc1ccnn1-c1ccc(F)cc1 ZINC000491633394 332255184 /nfs/dbraw/zinc/25/51/84/332255184.db2.gz QWVGZASCHQWONL-CYBMUJFWSA-N 0 1 257.312 2.513 20 30 CFEDMN C#C[C@@H](C)N(C)Cc1cn(C)nc1-c1ccccc1 ZINC000491730874 332312648 /nfs/dbraw/zinc/31/26/48/332312648.db2.gz LQCMLFPXIOBDEE-CYBMUJFWSA-N 0 1 253.349 2.541 20 30 CFEDMN C#C[C@H](C)N(C)CCc1nc(-c2cccc(Cl)c2)no1 ZINC000491810814 332363333 /nfs/dbraw/zinc/36/33/33/332363333.db2.gz ANNUOTWIXQVCAZ-NSHDSACASA-N 0 1 289.766 2.886 20 30 CFEDMN C#C[C@@H](C)[N@H+](C)CCC(=O)Nc1cc(Cl)ccc1OC ZINC000491813319 332365006 /nfs/dbraw/zinc/36/50/06/332365006.db2.gz AJDGYHZXAMSUNL-LLVKDONJSA-N 0 1 294.782 2.631 20 30 CFEDMN C[C@H](NCC#Cc1ccc(Cl)cc1)c1cn[nH]c1 ZINC000494683916 332482748 /nfs/dbraw/zinc/48/27/48/332482748.db2.gz XALXARKVXAKJIR-NSHDSACASA-N 0 1 259.740 2.765 20 30 CFEDMN C[C@@H]1CCN(C(=O)OC(C)(C)C)[C@H](C)[C@@H]1NCCC#N ZINC000497089765 332569652 /nfs/dbraw/zinc/56/96/52/332569652.db2.gz BZKGMOSJKKVZQH-JHJVBQTASA-N 0 1 281.400 2.524 20 30 CFEDMN C=C(C)COCCN[C@@H](C)c1cn2ccccc2n1 ZINC000517040532 333090751 /nfs/dbraw/zinc/09/07/51/333090751.db2.gz UFLLMCCWTCQBHY-ZDUSSCGKSA-N 0 1 259.353 2.578 20 30 CFEDMN C=CCCN1CCN(C(=O)Nc2ccc(C)cc2)CC1 ZINC000183619697 333121621 /nfs/dbraw/zinc/12/16/21/333121621.db2.gz IXWQPLSSQVEFGE-UHFFFAOYSA-N 0 1 273.380 2.721 20 30 CFEDMN C=C[C@](C)(CC)C(=O)NCC[N@H+]1CCCC[C@@H]1C ZINC000190571225 333208355 /nfs/dbraw/zinc/20/83/55/333208355.db2.gz DXLVAQHOPHUQBA-DZGCQCFKSA-N 0 1 252.402 2.579 20 30 CFEDMN Cc1csc([C@@H](C#N)C(=O)c2ccnn2C(F)F)n1 ZINC000522014527 333230159 /nfs/dbraw/zinc/23/01/59/333230159.db2.gz NWWAGQHLKYWGPW-ZETCQYMHSA-N 0 1 282.275 2.533 20 30 CFEDMN Cc1csc(C(C#N)C(=O)c2ccnn2C(F)F)n1 ZINC000522014527 333230160 /nfs/dbraw/zinc/23/01/60/333230160.db2.gz NWWAGQHLKYWGPW-ZETCQYMHSA-N 0 1 282.275 2.533 20 30 CFEDMN CO[C@@H](CN1CCC(C#N)CC1)c1ccc(F)cc1 ZINC000528366131 333416472 /nfs/dbraw/zinc/41/64/72/333416472.db2.gz RUTPODHGXLTHLA-HNNXBMFYSA-N 0 1 262.328 2.749 20 30 CFEDMN COC(=O)c1ccc(CN2CCC(CC#N)CC2)cc1F ZINC000541953077 333803927 /nfs/dbraw/zinc/80/39/27/333803927.db2.gz CYBUAMKXSUVWKD-UHFFFAOYSA-N 0 1 290.338 2.738 20 30 CFEDMN Cc1ccccc1[C@@H](CO)NCC#Cc1ccc(F)cc1 ZINC000543838523 333902682 /nfs/dbraw/zinc/90/26/82/333902682.db2.gz GGXKZEPGOJEWFS-GOSISDBHSA-N 0 1 283.346 2.809 20 30 CFEDMN C[C@@H](NC(=O)OC(C)(C)C)[C@@H]1CCC[N@@H+](CCCC#N)C1 ZINC000133921771 334071374 /nfs/dbraw/zinc/07/13/74/334071374.db2.gz CRKVWYCUPGVDDM-ZIAGYGMSSA-N 0 1 295.427 2.915 20 30 CFEDMN COC[C@H](N[C@H]1CCC[C@@H](C#N)C1)c1ccc(C)o1 ZINC000249034797 334325467 /nfs/dbraw/zinc/32/54/67/334325467.db2.gz SEVYWNXIKLIEKO-RDBSUJKOSA-N 0 1 262.353 2.948 20 30 CFEDMN N#C[C@@H](C(=O)c1scnc1C1CC1)c1ccccn1 ZINC000089966723 334354511 /nfs/dbraw/zinc/35/45/11/334354511.db2.gz XOLFJKYKULBIPX-SNVBAGLBSA-N 0 1 269.329 2.906 20 30 CFEDMN N#CC(C(=O)c1scnc1C1CC1)c1ccccn1 ZINC000089966723 334354512 /nfs/dbraw/zinc/35/45/12/334354512.db2.gz XOLFJKYKULBIPX-SNVBAGLBSA-N 0 1 269.329 2.906 20 30 CFEDMN N#CCC[C@H](C#N)CNCC1(c2cccc(F)c2)CC1 ZINC000567797153 334761889 /nfs/dbraw/zinc/76/18/89/334761889.db2.gz RNFOYUNPPOPMKN-CYBMUJFWSA-N 0 1 271.339 2.890 20 30 CFEDMN C=CCN(CCSC)Cc1cccc([N+](=O)[O-])c1 ZINC000194594032 336030493 /nfs/dbraw/zinc/03/04/93/336030493.db2.gz COWSAXJMNMTVGX-UHFFFAOYSA-N 0 1 266.366 2.946 20 30 CFEDMN C=C(C)CCNc1nc(C(F)(F)F)nc2[nH]cnc21 ZINC000581589105 336107910 /nfs/dbraw/zinc/10/79/10/336107910.db2.gz JBNIQPQLGLTWIC-UHFFFAOYSA-N 0 1 271.246 2.701 20 30 CFEDMN CN1CCC(C#N)(NC(=O)c2cccc3ccsc32)CC1 ZINC000386217510 336168258 /nfs/dbraw/zinc/16/82/58/336168258.db2.gz IZCVRMGZXKLZSV-UHFFFAOYSA-N 0 1 299.399 2.619 20 30 CFEDMN C#CCCN1CC[C@H]1CN(C)C(=O)c1csc(C)c1C ZINC001085616322 782117387 /nfs/dbraw/zinc/11/73/87/782117387.db2.gz JUXYICPRSVOHPY-AWEZNQCLSA-N 0 1 290.432 2.535 20 30 CFEDMN C=C(C)CN1CC[C@H]1CN(C)C(=O)c1cccnc1C1CC1 ZINC001085698061 782134308 /nfs/dbraw/zinc/13/43/08/782134308.db2.gz BZAFBEFBKRJZEZ-HNNXBMFYSA-N 0 1 299.418 2.681 20 30 CFEDMN C=C(C)CN1CC[C@@H]1CN(C)C(=O)c1nccc2occc21 ZINC001085737429 782147940 /nfs/dbraw/zinc/14/79/40/782147940.db2.gz NFDPABMWGIJLQH-CYBMUJFWSA-N 0 1 299.374 2.550 20 30 CFEDMN C#Cc1ccc(C(=O)N(C)C[C@H]2CCN2CC=C(C)C)cc1 ZINC001085757386 782153458 /nfs/dbraw/zinc/15/34/58/782153458.db2.gz GYFDFUHHWHBRJL-GOSISDBHSA-N 0 1 296.414 2.780 20 30 CFEDMN CC(C)[C@H]1CN(Cc2ccc(C#N)c(F)c2)CCCO1 ZINC000336318691 519826863 /nfs/dbraw/zinc/82/68/63/519826863.db2.gz WIPTXFLIFWEBJP-MRXNPFEDSA-N 0 1 276.355 2.944 20 30 CFEDMN CCOC[C@H]1CCCN(Cc2cccc(C#N)c2F)C1 ZINC000340888391 520170716 /nfs/dbraw/zinc/17/07/16/520170716.db2.gz FCISVLBZNFPYMH-ZDUSSCGKSA-N 0 1 276.355 2.946 20 30 CFEDMN CCCCN(CC)C(=O)CN[C@H](C)c1ccc(C#N)cc1 ZINC000338348156 520460355 /nfs/dbraw/zinc/46/03/55/520460355.db2.gz MHOHIGUIFZSJIJ-CQSZACIVSA-N 0 1 287.407 2.857 20 30 CFEDMN CCOc1cc(C)ccc1CNCc1cc(C#N)n(C)c1 ZINC000191312411 520681601 /nfs/dbraw/zinc/68/16/01/520681601.db2.gz YJRDGVKPXUNACT-UHFFFAOYSA-N 0 1 283.375 2.894 20 30 CFEDMN CCCC[C@@H](C)C(=O)N=c1[nH]n(C(C)C)cc1C#N ZINC000337089512 520988610 /nfs/dbraw/zinc/98/86/10/520988610.db2.gz KANODIIKGQHSRJ-LLVKDONJSA-N 0 1 262.357 2.522 20 30 CFEDMN COc1cc(CNCc2cccc(C#N)c2)cc(OC)c1O ZINC000237108073 522467530 /nfs/dbraw/zinc/46/75/30/522467530.db2.gz PJHYMAMXLKAYHW-UHFFFAOYSA-N 0 1 298.342 2.571 20 30 CFEDMN Cc1nc2cccc(C(=O)Nc3nnc(C)n3C3CC3)c2[nH]1 ZINC000329138825 534668058 /nfs/dbraw/zinc/66/80/58/534668058.db2.gz IMPIGSQWNJHYGV-UHFFFAOYSA-N 0 1 296.334 2.742 20 30 CFEDMN CC[C@H]1CCN([C@H](C)C(=O)Nc2ccccc2C#N)C1 ZINC000246319023 523167885 /nfs/dbraw/zinc/16/78/85/523167885.db2.gz WUVIVODTUPBGNL-OLZOCXBDSA-N 0 1 271.364 2.617 20 30 CFEDMN N#CCc1ccc(CN[C@@H](CO)c2ccsc2)cc1 ZINC000352032876 534720242 /nfs/dbraw/zinc/72/02/42/534720242.db2.gz OTQZNEUZKPCDOZ-HNNXBMFYSA-N 0 1 272.373 2.637 20 30 CFEDMN CO[C@@H]1CN(Cc2ccc(F)c(C#N)c2)CC[C@@H]1C ZINC000221125695 523738959 /nfs/dbraw/zinc/73/89/59/523738959.db2.gz YTADVOAWIBKGLS-XHDPSFHLSA-N 0 1 262.328 2.554 20 30 CFEDMN CO[C@@]1(C)CCCN(Cc2ccc(C#N)c(F)c2)C1 ZINC000336055922 523808040 /nfs/dbraw/zinc/80/80/40/523808040.db2.gz BQMOQXXJJGHCBY-HNNXBMFYSA-N 0 1 262.328 2.698 20 30 CFEDMN CNC(=O)C[C@H](NCc1cc(C#N)cs1)c1ccccc1 ZINC000360772082 524075834 /nfs/dbraw/zinc/07/58/34/524075834.db2.gz LAGAPHBUCZJLNF-HNNXBMFYSA-N 0 1 299.399 2.587 20 30 CFEDMN COc1ccc(CN[C@@H]2COc3ccccc32)cc1C#N ZINC000087824366 524087153 /nfs/dbraw/zinc/08/71/53/524087153.db2.gz CZBXSORWYZGTRY-OAHLLOKOSA-N 0 1 280.327 2.790 20 30 CFEDMN O=C(N[C@@H]1C[C@H]1c1ccccc1)N[C@@H]1CCCc2cn[nH]c21 ZINC000330284586 534761553 /nfs/dbraw/zinc/76/15/53/534761553.db2.gz XSFQLQQBGJBWQC-RRFJBIMHSA-N 0 1 296.374 2.847 20 30 CFEDMN C=CCC[C@H](O)CN[C@@](C)(CC)c1nccs1 ZINC000268522993 534805834 /nfs/dbraw/zinc/80/58/34/534805834.db2.gz GGWVUPYPVVPIMS-AAEUAGOBSA-N 0 1 254.399 2.685 20 30 CFEDMN C[C@@H]1CN2CCCC[C@H]2CN1C(=O)Nc1ccc(C#N)cc1 ZINC000335992139 525081973 /nfs/dbraw/zinc/08/19/73/525081973.db2.gz SQIZRKFIINUVFV-CJNGLKHVSA-N 0 1 298.390 2.649 20 30 CFEDMN C[C@@H]1C[C@@H](c2cccnc2)N(Cc2cc(C#N)n(C)c2)C1 ZINC000191493237 525295669 /nfs/dbraw/zinc/29/56/69/525295669.db2.gz LOHJICMZIBQKBF-DYVFJYSZSA-N 0 1 280.375 2.875 20 30 CFEDMN C[C@H](NCc1ccc(C#N)c(F)c1)c1cccnc1 ZINC000192148083 525435070 /nfs/dbraw/zinc/43/50/70/525435070.db2.gz NUGVYPAJCHFZQE-NSHDSACASA-N 0 1 255.296 2.943 20 30 CFEDMN C[C@H](N[C@@H](CO)c1ccccc1)c1ccc(C#N)cc1 ZINC000062999325 525542619 /nfs/dbraw/zinc/54/26/19/525542619.db2.gz ZPLVGNKTBULJGI-GUYCJALGSA-N 0 1 266.344 2.942 20 30 CFEDMN C[C@@H](N[C@@H](CO)c1ccccc1)c1ccc(C#N)cc1 ZINC000062999326 525626425 /nfs/dbraw/zinc/62/64/25/525626425.db2.gz ZPLVGNKTBULJGI-DYVFJYSZSA-N 0 1 266.344 2.942 20 30 CFEDMN C=C(C)CN(CC)CC(=O)NCc1cccc(C)c1 ZINC000111682893 526547569 /nfs/dbraw/zinc/54/75/69/526547569.db2.gz NBMBENFXSPHPTE-UHFFFAOYSA-N 0 1 260.381 2.509 20 30 CFEDMN N#Cc1ccc(CN2CCC[C@@H](c3cc[nH]n3)C2)cc1F ZINC000191952880 526611470 /nfs/dbraw/zinc/61/14/70/526611470.db2.gz TVBUSXRXYBCICD-CQSZACIVSA-N 0 1 284.338 2.800 20 30 CFEDMN N#Cc1ccc(SCc2c[nH]nn2)c(Cl)c1 ZINC000336398139 526686422 /nfs/dbraw/zinc/68/64/22/526686422.db2.gz XLRDUTFOIZXEGD-UHFFFAOYSA-N 0 1 250.714 2.622 20 30 CFEDMN Cc1nc(C)c(CNCc2cccc(C#N)c2)s1 ZINC000076866107 526724363 /nfs/dbraw/zinc/72/43/63/526724363.db2.gz VGYILJYQDGMVEU-UHFFFAOYSA-N 0 1 257.362 2.921 20 30 CFEDMN N#Cc1cccc(OCCCN2CCO[C@@H]3CCC[C@H]32)c1 ZINC000227152467 526725174 /nfs/dbraw/zinc/72/51/74/526725174.db2.gz BEOQZUZUYUBYJM-IAGOWNOFSA-N 0 1 286.375 2.580 20 30 CFEDMN N#Cc1csc(CN2CCOC[C@H](C3CCC3)C2)c1 ZINC000336113785 526781434 /nfs/dbraw/zinc/78/14/34/526781434.db2.gz VBYSCJUYCOHJIJ-CQSZACIVSA-N 0 1 276.405 2.868 20 30 CFEDMN C=CCOc1cccc(NC(=O)[C@H](C(C)C)N(C)C)c1 ZINC000106910760 526918034 /nfs/dbraw/zinc/91/80/34/526918034.db2.gz RYQMHPCCYSYBLG-HNNXBMFYSA-N 0 1 276.380 2.776 20 30 CFEDMN C=CC[C@H](C)NC(=O)[C@@H]1CCc2[nH]c(C(C)C)nc2C1 ZINC000356117302 527135501 /nfs/dbraw/zinc/13/55/01/527135501.db2.gz XBGZUYBKJUVOAG-NWDGAFQWSA-N 0 1 275.396 2.719 20 30 CFEDMN Cn1cc(CN2CC[C@@H](Oc3ccc(F)cc3)C2)cc1C#N ZINC000364831192 527206548 /nfs/dbraw/zinc/20/65/48/527206548.db2.gz VPETWTBEXMFRQM-QGZVFWFLSA-N 0 1 299.349 2.689 20 30 CFEDMN CC1CN(C(=O)Nc2ccc3nc(C(F)F)[nH]c3c2)C1 ZINC000329262371 528274799 /nfs/dbraw/zinc/27/47/99/528274799.db2.gz ZKFLWKHKXHOROZ-UHFFFAOYSA-N 0 1 280.278 2.998 20 30 CFEDMN CC(C)c1nc([C@H](C)NC(=O)[C@@H]2CCCOCC2)n[nH]1 ZINC000330229299 528311346 /nfs/dbraw/zinc/31/13/46/528311346.db2.gz QBSGDZBDFNIZLB-WDEREUQCSA-N 0 1 280.372 2.762 20 30 CFEDMN CCN(CCC#N)CC1CCN(C(=O)C(C)(C)C)CC1 ZINC000347298579 528373218 /nfs/dbraw/zinc/37/32/18/528373218.db2.gz NWAIZWXRSGKPKP-UHFFFAOYSA-N 0 1 279.428 2.507 20 30 CFEDMN CC1(C#N)CCC(Nc2ccc3nn[nH]c3c2)CC1 ZINC000333260642 528833196 /nfs/dbraw/zinc/83/31/96/528833196.db2.gz GDLQKTDMIBMBOG-UHFFFAOYSA-N 0 1 255.325 2.842 20 30 CFEDMN CC1(C#N)CCC(Nc2ccc3n[nH]nc3c2)CC1 ZINC000333260642 528833198 /nfs/dbraw/zinc/83/31/98/528833198.db2.gz GDLQKTDMIBMBOG-UHFFFAOYSA-N 0 1 255.325 2.842 20 30 CFEDMN CC(C)N1C(=O)CN(CC(C)(C)CCC#N)CC1(C)C ZINC000353712166 528972680 /nfs/dbraw/zinc/97/26/80/528972680.db2.gz OIYUMGLWQRBAHK-UHFFFAOYSA-N 0 1 279.428 2.648 20 30 CFEDMN CC(C)N1CCC[C@H](N(C)[C@@H](C)c2cccc(C#N)c2)C1=O ZINC000425532188 529024834 /nfs/dbraw/zinc/02/48/34/529024834.db2.gz INFQULYAMDEJPV-YOEHRIQHSA-N 0 1 299.418 2.950 20 30 CFEDMN CC[C@H](C)Oc1cc(C(=O)[C@H](C#N)c2ccncn2)ccn1 ZINC000354464915 529188871 /nfs/dbraw/zinc/18/88/71/529188871.db2.gz LENFRXGNJHKVIX-WCQYABFASA-N 0 1 296.330 2.539 20 30 CFEDMN CC[C@H](C)Oc1cc(C(=O)C(C#N)c2ccncn2)ccn1 ZINC000354464915 529188875 /nfs/dbraw/zinc/18/88/75/529188875.db2.gz LENFRXGNJHKVIX-WCQYABFASA-N 0 1 296.330 2.539 20 30 CFEDMN CC[C@H](C)c1nc([C@H](C)NC(=O)[C@H]2CCCO2)n[nH]1 ZINC000330187673 529276492 /nfs/dbraw/zinc/27/64/92/529276492.db2.gz KOQINARLNNNYAT-LPEHRKFASA-N 0 1 266.345 2.515 20 30 CFEDMN CC[C@H]1CN(Cc2ccc(C#N)cc2C(F)(F)F)C[C@H]1O ZINC000356133287 536153468 /nfs/dbraw/zinc/15/34/68/536153468.db2.gz WIWBYGVLQQLMCK-SMDDNHRTSA-N 0 1 298.308 2.780 20 30 CFEDMN N#Cc1ccc(O)c(NC(=O)C[C@H]2CC[C@H](C3CC3)O2)c1 ZINC000935106367 649876125 /nfs/dbraw/zinc/87/61/25/649876125.db2.gz DCJGHOYIEZMFTO-IUODEOHRSA-N 0 1 286.331 2.550 20 30 CFEDMN C=C[C@H](CC)CC(=O)N1C[C@H](C)N(CC)C[C@@H]1C ZINC000935166674 649882373 /nfs/dbraw/zinc/88/23/73/649882373.db2.gz RIUQSGVDCRPISB-MELADBBJSA-N 0 1 252.402 2.530 20 30 CFEDMN C=C(C)CN1CC[C@H]1CN(C)C(=O)c1ccc2cc[nH]c2c1 ZINC001085844848 782181748 /nfs/dbraw/zinc/18/17/48/782181748.db2.gz YUAGQWPPSLINMV-INIZCTEOSA-N 0 1 297.402 2.890 20 30 CFEDMN Cc1cccc2c1CCC2=NNC1=N[C@@H]2CCCC[C@@H]2N1 ZINC000753934295 574056130 /nfs/dbraw/zinc/05/61/30/574056130.db2.gz HZMPZTVOOBKVBW-IYBDPMFKSA-N 0 1 282.391 2.505 20 30 CFEDMN CC(=NNC1=N[C@@H]2CCCC[C@@H]2N1)c1ccc(F)cc1F ZINC000753937091 574056476 /nfs/dbraw/zinc/05/64/76/574056476.db2.gz CDADJYXEAXHEJP-OKILXGFUSA-N 0 1 292.333 2.549 20 30 CFEDMN CC(=CN=NC1=N[C@@H]2CCCC[C@H]2N1)Cc1ccccc1 ZINC000753935903 574056614 /nfs/dbraw/zinc/05/66/14/574056614.db2.gz PXFNKVLLVSOHJY-WEQXLWDWSA-N 0 1 282.391 2.936 20 30 CFEDMN C[C@@H]1C[C@@H]1c1ccc(C=NNC2=N[C@@H]3CCCC[C@@H]3N2)o1 ZINC000753936780 574056804 /nfs/dbraw/zinc/05/68/04/574056804.db2.gz WBLRQRLDJWNYMN-CABNGKKXSA-N 0 1 286.379 2.597 20 30 CFEDMN Fc1ccc(Cl)cc1C=NNC1=N[C@@H]2CCCC[C@H]2N1 ZINC000753936600 574056849 /nfs/dbraw/zinc/05/68/49/574056849.db2.gz SURFDQDGHSVRFY-CHWSQXEVSA-N 0 1 294.761 2.673 20 30 CFEDMN Cc1cc(C)c(C=NNC2=N[C@@H]3CCCC[C@H]3N2)cc1C ZINC000753941633 574057279 /nfs/dbraw/zinc/05/72/79/574057279.db2.gz ZSSBASHZOJFGLA-HZPDHXFCSA-N 0 1 284.407 2.806 20 30 CFEDMN CC(C)c1nc(C#N)c(N=NC2C[C@H](C)N(C3CC3)C2)o1 ZINC000753959166 574059679 /nfs/dbraw/zinc/05/96/79/574059679.db2.gz DUHDKMYSDRTHDC-JTQLQIEISA-N 0 1 287.367 2.694 20 30 CFEDMN CC(C)CN(CCC#N)C[C@@H](O)CCc1ccccc1 ZINC000754043374 574065316 /nfs/dbraw/zinc/06/53/16/574065316.db2.gz RCRLTYHAROYGNZ-KRWDZBQOSA-N 0 1 274.408 2.852 20 30 CFEDMN C=C(Cl)CNC(=O)c1cccc(Br)c1O ZINC000736688029 574066137 /nfs/dbraw/zinc/06/61/37/574066137.db2.gz GBKFBTBFWKYSPY-UHFFFAOYSA-N 0 1 290.544 2.637 20 30 CFEDMN CC(C)[C@H](C(=O)OCc1cccc(C#N)c1)N1CCCC1 ZINC000741013414 574069518 /nfs/dbraw/zinc/06/95/18/574069518.db2.gz JWLAZNNFWTUBMD-MRXNPFEDSA-N 0 1 286.375 2.722 20 30 CFEDMN N#Cc1ccc(F)c(CN[C@H](CCO)c2cccs2)c1 ZINC000754384254 574093041 /nfs/dbraw/zinc/09/30/41/574093041.db2.gz LOCXAQMSPHVPPF-CQSZACIVSA-N 0 1 290.363 2.972 20 30 CFEDMN C=CCCC[N@@H+]1CCCC[C@H]1[C@@H]1CCCN1C(=O)[O-] ZINC000738493919 574095671 /nfs/dbraw/zinc/09/56/71/574095671.db2.gz TWKNYOQWBGCKSK-KBPBESRZSA-N 0 1 266.385 2.950 20 30 CFEDMN Cc1ncccc1CN=Nc1ccc(Br)cn1 ZINC000728781018 574108743 /nfs/dbraw/zinc/10/87/43/574108743.db2.gz JDJQGTIAAYPETI-UHFFFAOYSA-N 0 1 291.152 2.994 20 30 CFEDMN CC(N=Nc1ccc(F)cn1)c1ccc(O)cc1F ZINC000731317919 574116089 /nfs/dbraw/zinc/11/60/89/574116089.db2.gz GCFKCCOBHUSBAH-UHFFFAOYSA-N 0 1 263.247 2.902 20 30 CFEDMN C(=NNCCN1CCCCC1)c1ccnc2ccccc12 ZINC000731313925 574116186 /nfs/dbraw/zinc/11/61/86/574116186.db2.gz QPFKPMMAZGKLSD-UHFFFAOYSA-N 0 1 282.391 2.644 20 30 CFEDMN Cc1cc(C=NN=c2[nH]c3ccccc3n2C)c(C)n1C ZINC000754932544 574128808 /nfs/dbraw/zinc/12/88/08/574128808.db2.gz MDVWHHYHSCDERC-UHFFFAOYSA-N 0 1 281.363 2.975 20 30 CFEDMN Cc1cc(C=[NH+][N-]c2nc3ccccc3n2C)c(C)n1C ZINC000754932544 574128810 /nfs/dbraw/zinc/12/88/10/574128810.db2.gz MDVWHHYHSCDERC-UHFFFAOYSA-N 0 1 281.363 2.975 20 30 CFEDMN C#CCCCN[C@@H](C)c1nc(C)c(C(=O)OCC)s1 ZINC000755035754 574133654 /nfs/dbraw/zinc/13/36/54/574133654.db2.gz OLCUJWBDMAXCRL-NSHDSACASA-N 0 1 280.393 2.692 20 30 CFEDMN C#CCCCN[C@H](C)c1nc(C)c(C(=O)OCC)s1 ZINC000755035753 574133751 /nfs/dbraw/zinc/13/37/51/574133751.db2.gz OLCUJWBDMAXCRL-LLVKDONJSA-N 0 1 280.393 2.692 20 30 CFEDMN CC(=NNc1cc(C)ncn1)c1cccc([N+](=O)[O-])c1 ZINC000731934705 574135164 /nfs/dbraw/zinc/13/51/64/574135164.db2.gz IZXVNVAVZHVJDZ-UHFFFAOYSA-N 0 1 271.280 2.529 20 30 CFEDMN C[N@@H+](Cc1cccc(F)c1)[C@H](C(=O)[O-])c1ccc(C#N)cc1 ZINC000737486465 574144278 /nfs/dbraw/zinc/14/42/78/574144278.db2.gz MHKINLVNRHJOAB-INIZCTEOSA-N 0 1 298.317 2.955 20 30 CFEDMN C[C@@H]1CN(C)CC1N=Nc1ccc2ccccc2n1 ZINC000752153904 574159916 /nfs/dbraw/zinc/15/99/16/574159916.db2.gz AHVPLNDKDYMHJI-LLVKDONJSA-N 0 1 254.337 2.584 20 30 CFEDMN CC(C)(C)CC=Nn1c(=O)c2ccccc2[nH]c1=S ZINC000755618087 574172003 /nfs/dbraw/zinc/17/20/03/574172003.db2.gz UWLPICRMLFVMHG-UHFFFAOYSA-N 0 1 275.377 2.955 20 30 CFEDMN Cc1cc(N=NCc2cnc([C@H]3CCCO3)s2)ncn1 ZINC000755726705 574181252 /nfs/dbraw/zinc/18/12/52/574181252.db2.gz GPTCJHPRZIFZDM-LLVKDONJSA-N 0 1 289.364 2.539 20 30 CFEDMN COc1ccc(CN=Nc2cc(C)ccn2)cc1C#N ZINC000755904103 574195945 /nfs/dbraw/zinc/19/59/45/574195945.db2.gz ASDWHYXIGXVCOR-UHFFFAOYSA-N 0 1 266.304 2.716 20 30 CFEDMN C=CCN(C/C=C/C(=O)OCC)Cc1ccccc1 ZINC000756091843 574208547 /nfs/dbraw/zinc/20/85/47/574208547.db2.gz IXFOVRIZVCLCEH-DHZHZOJOSA-N 0 1 259.349 2.794 20 30 CFEDMN CC(N=Nc1ccnc(N(C)C)n1)c1c(F)cccc1F ZINC000739412815 574212406 /nfs/dbraw/zinc/21/24/06/574212406.db2.gz CKNQEOYHUWSCSC-UHFFFAOYSA-N 0 1 291.305 2.657 20 30 CFEDMN COc1c(C)cc(C=NN=c2cc[nH]c(N(C)C)n2)cc1C ZINC000739417875 574212827 /nfs/dbraw/zinc/21/28/27/574212827.db2.gz FHLHIFFUNOAZSK-UHFFFAOYSA-N 0 1 299.378 2.614 20 30 CFEDMN C=CCN(CC[S@@](=O)c1ccccc1)C(C)C ZINC000729473538 574218266 /nfs/dbraw/zinc/21/82/66/574218266.db2.gz JHLRZCSOOAMVAG-QGZVFWFLSA-N 0 1 251.395 2.691 20 30 CFEDMN CC(C)Oc1ccc(C(=O)Nc2cc(C#N)ccc2O)cn1 ZINC000748002673 574224305 /nfs/dbraw/zinc/22/43/05/574224305.db2.gz LAZOTSJTNJFPPM-UHFFFAOYSA-N 0 1 297.314 2.698 20 30 CFEDMN C=CCC[C@H]([NH2+]Cc1c[nH]c(-c2ccccc2)n1)C(=O)[O-] ZINC000756382051 574231373 /nfs/dbraw/zinc/23/13/73/574231373.db2.gz YJCXEMXGIDUIOK-AWEZNQCLSA-N 0 1 285.347 2.586 20 30 CFEDMN C=CCC[C@H]([NH2+]Cc1coc(-c2ccccc2)n1)C(=O)[O-] ZINC000756379961 574231428 /nfs/dbraw/zinc/23/14/28/574231428.db2.gz PNOLIZNXTGJTJY-AWEZNQCLSA-N 0 1 286.331 2.851 20 30 CFEDMN C#CCN1CCC[C@H]1COC(=O)C1(c2ccccc2C)CC1 ZINC000729812365 574232836 /nfs/dbraw/zinc/23/28/36/574232836.db2.gz TUFFPMXLUYCNHZ-INIZCTEOSA-N 0 1 297.398 2.667 20 30 CFEDMN C#CCN1CCC[C@H]1COC(=O)CCCC(C)(C)C ZINC000729811820 574233145 /nfs/dbraw/zinc/23/31/45/574233145.db2.gz CVNJPSZSXWNBLA-AWEZNQCLSA-N 0 1 265.397 2.844 20 30 CFEDMN C#CCN1CCC[C@H]1COC(=O)[C@@H](C)c1ccc(CC)cc1 ZINC000729812047 574233377 /nfs/dbraw/zinc/23/33/77/574233377.db2.gz JXCNZMBALPHTBJ-YJBOKZPZSA-N 0 1 299.414 2.993 20 30 CFEDMN C#CCN1CCC[C@@H]1COC(=O)c1ccc(C)c(C)c1 ZINC000756543313 574244817 /nfs/dbraw/zinc/24/48/17/574244817.db2.gz LUOOWJSMBBHHOK-MRXNPFEDSA-N 0 1 271.360 2.558 20 30 CFEDMN C#CCN1CCC[C@@H]1COC(=O)/C=C(/C)c1ccccc1 ZINC000756544690 574245422 /nfs/dbraw/zinc/24/54/22/574245422.db2.gz VWXMVSCIEMVKMZ-AKMXKPQHSA-N 0 1 283.371 2.731 20 30 CFEDMN C#CCN1CCC[C@H]1COC(=O)[C@H](C)Cc1ccccc1 ZINC000756545903 574245617 /nfs/dbraw/zinc/24/56/17/574245617.db2.gz XCTKOMIZQUAJCC-WBVHZDCISA-N 0 1 285.387 2.506 20 30 CFEDMN C#CCN1CCC[C@@H]1COC(=O)C[C@H]1CCc2ccccc21 ZINC000756545763 574245896 /nfs/dbraw/zinc/24/58/96/574245896.db2.gz VGTMLOUNYSSUNA-IAGOWNOFSA-N 0 1 297.398 2.747 20 30 CFEDMN N#Cc1cccc(C[N@@H+](C2CC2)C2CCN(C(=O)[O-])CC2)c1 ZINC000740320295 574247014 /nfs/dbraw/zinc/24/70/14/574247014.db2.gz KFXKPQYQDRNFDY-UHFFFAOYSA-N 0 1 299.374 2.665 20 30 CFEDMN CC(=O)c1ccc(C(=O)Nc2cc(C#N)ccc2O)s1 ZINC000748411045 574251490 /nfs/dbraw/zinc/25/14/90/574251490.db2.gz UZUZCJQAGJSFAA-UHFFFAOYSA-N 0 1 286.312 2.780 20 30 CFEDMN Cc1ccc(CN=Nc2cnnc3ccccc23)o1 ZINC000733748193 574254768 /nfs/dbraw/zinc/25/47/68/574254768.db2.gz KWPSULSOILKALC-UHFFFAOYSA-N 0 1 252.277 2.977 20 30 CFEDMN CN1Cc2ccccc2[C@@H](/N=C/c2cccc(O)c2O)C1 ZINC000756841166 574267376 /nfs/dbraw/zinc/26/73/76/574267376.db2.gz LNHKVMFNRZCBIY-UPAIAECRSA-N 0 1 282.343 2.703 20 30 CFEDMN C#CCOc1ccccc1CNCc1ccc2c[nH]nc2c1 ZINC000734159032 574277745 /nfs/dbraw/zinc/27/77/45/574277745.db2.gz CWOQGICSRIWHMZ-UHFFFAOYSA-N 0 1 291.354 2.865 20 30 CFEDMN CC(C)[C@H](C(=O)OCc1ccccc1C#N)N1CCCC1 ZINC000741014110 574277855 /nfs/dbraw/zinc/27/78/55/574277855.db2.gz QLGOVMRYKAFBPW-MRXNPFEDSA-N 0 1 286.375 2.722 20 30 CFEDMN C[C@H]1C[N@@H+](Cc2ccccc2)CCC1N=Nc1cnccn1 ZINC000734365069 574283846 /nfs/dbraw/zinc/28/38/46/574283846.db2.gz AUJZJVUIMBGWLC-AWEZNQCLSA-N 0 1 295.390 2.787 20 30 CFEDMN C[C@H]1CN(Cc2ccccn2)CCC1N=Nc1ccccn1 ZINC000734364150 574283972 /nfs/dbraw/zinc/28/39/72/574283972.db2.gz WXGYJQJWAHFQMX-AWEZNQCLSA-N 0 1 295.390 2.787 20 30 CFEDMN C#CCOc1ccc(C(=O)Nc2ccc3nc[nH]c3c2)cc1 ZINC000741678156 574298577 /nfs/dbraw/zinc/29/85/77/574298577.db2.gz LSWBFYREWQCWDL-UHFFFAOYSA-N 0 1 291.310 2.827 20 30 CFEDMN N#Cc1cc(CN2CCC[C@H]2C[C@H](O)c2ccco2)ccn1 ZINC000749522519 574298982 /nfs/dbraw/zinc/29/89/82/574298982.db2.gz BAGSBUYGBWSVPS-HOTGVXAUSA-N 0 1 297.358 2.634 20 30 CFEDMN CC#CCN1CCCC[C@H]1[C@@H](C)NC(=O)OC(C)(C)C ZINC000741777858 574302496 /nfs/dbraw/zinc/30/24/96/574302496.db2.gz MLRNOAJZVPTCJR-KGLIPLIRSA-N 0 1 280.412 2.777 20 30 CFEDMN CC(=NOCC(C)C)c1cccc(N2CCOCC2)c1 ZINC000749631328 574303233 /nfs/dbraw/zinc/30/32/33/574303233.db2.gz KRSAAURWJSZJGK-UHFFFAOYSA-N 0 1 276.380 2.920 20 30 CFEDMN Cc1ccc(F)c(C=NNCCN2CCCCC2)c1 ZINC000734979330 574308568 /nfs/dbraw/zinc/30/85/68/574308568.db2.gz GBYPDEXBTPFCKA-UHFFFAOYSA-N 0 1 263.360 2.544 20 30 CFEDMN CC[C@@H](C)CN(C)c1ccc(F)cc1C=NN[C@H](C)CO ZINC000749817570 574310814 /nfs/dbraw/zinc/31/08/14/574310814.db2.gz KFUFKBFYCVQEGP-CHWSQXEVSA-N 0 1 295.402 2.612 20 30 CFEDMN Cc1cc(NN=Cc2cc(F)c(O)c(F)c2)nc(C)n1 ZINC000749859072 574312952 /nfs/dbraw/zinc/31/29/52/574312952.db2.gz PRTVYBOVVQIONQ-UHFFFAOYSA-N 0 1 278.262 2.523 20 30 CFEDMN CN(Cc1cc(Cl)ccc1OCC#N)C1CC1 ZINC000735308575 574319816 /nfs/dbraw/zinc/31/98/16/574319816.db2.gz JQWHHXDRGRPPKO-UHFFFAOYSA-N 0 1 250.729 2.837 20 30 CFEDMN N#Cc1ccc(CNC[C@H](O)c2c(F)cccc2Cl)o1 ZINC000742372695 574325762 /nfs/dbraw/zinc/32/57/62/574325762.db2.gz UBOKOMITADEPTD-ZDUSSCGKSA-N 0 1 294.713 2.767 20 30 CFEDMN N#Cc1ccc(F)c(CNCc2[nH]nc3ccccc32)c1 ZINC000742381650 574326807 /nfs/dbraw/zinc/32/68/07/574326807.db2.gz AZCZRUSHINLRFC-UHFFFAOYSA-N 0 1 280.306 2.863 20 30 CFEDMN Cc1cccc2nc([C@H](C#N)C(=O)Cc3cccnc3)[nH]c21 ZINC000735916538 574342895 /nfs/dbraw/zinc/34/28/95/574342895.db2.gz WOBDRSULODWTRM-CYBMUJFWSA-N 0 1 290.326 2.685 20 30 CFEDMN CCCCCNC(=O)C(C#N)C(=O)[C@H](C)C1CCCC1 ZINC000750684378 574351009 /nfs/dbraw/zinc/35/10/09/574351009.db2.gz PWQMYBOHMMUCEJ-OCCSQVGLSA-N 0 1 278.396 2.828 20 30 CFEDMN C[C@H](C(=O)C(C#N)C(=O)Nc1ccccn1)C1CCCC1 ZINC000750691268 574351075 /nfs/dbraw/zinc/35/10/75/574351075.db2.gz YKVHIRIEXPBALJ-WCQYABFASA-N 0 1 285.347 2.555 20 30 CFEDMN Cc1c(N=NC2C[N@@H+](C3CC3)C[C@H]2C)cccc1[N+](=O)[O-] ZINC000755890206 574360836 /nfs/dbraw/zinc/36/08/36/574360836.db2.gz QPBVFHFJXQHCJK-SNVBAGLBSA-N 0 1 288.351 2.785 20 30 CFEDMN C[C@H]1C[N@H+](C2CC2)CC1N=Nc1c(F)cccc1F ZINC000755892415 574362675 /nfs/dbraw/zinc/36/26/75/574362675.db2.gz ULYKQQANXKDNFE-VIFPVBQESA-N 0 1 265.307 2.847 20 30 CFEDMN C[C@H]1CN(C2CC2)CC1N=Nc1c(F)cccc1F ZINC000755892415 574362677 /nfs/dbraw/zinc/36/26/77/574362677.db2.gz ULYKQQANXKDNFE-VIFPVBQESA-N 0 1 265.307 2.847 20 30 CFEDMN C(=NNc1ncnc2[nH]cnc21)c1ccccc1C1CC1 ZINC000751131881 574369935 /nfs/dbraw/zinc/36/99/35/574369935.db2.gz YZMYWHMWKFYSLN-UHFFFAOYSA-N 0 1 278.319 2.676 20 30 CFEDMN Cc1cccc2nc([C@@H](C#N)C(=O)CC[C@@H]3CCOC3)[nH]c21 ZINC000751846650 574383701 /nfs/dbraw/zinc/38/37/01/574383701.db2.gz ZVUTXAPLNCPSCD-OLZOCXBDSA-N 0 1 297.358 2.864 20 30 CFEDMN CC[C@@H](C)OCC(=O)[C@H](C#N)c1nc2cccc(C)c2[nH]1 ZINC000752503537 574392080 /nfs/dbraw/zinc/39/20/80/574392080.db2.gz CGKDOZYABPRJQV-NEPJUHHUSA-N 0 1 285.347 2.863 20 30 CFEDMN C=CCC[C@H](OC(=O)c1ccc([N+](=O)[O-])[nH]1)C1CC1 ZINC000752570283 574392875 /nfs/dbraw/zinc/39/28/75/574392875.db2.gz DGTIYLPEDDUDLR-NSHDSACASA-N 0 1 264.281 2.825 20 30 CFEDMN CN1CCc2cc(C=NOCc3cccnc3)ccc21 ZINC000752736660 574394313 /nfs/dbraw/zinc/39/43/13/574394313.db2.gz ZYNSNPBVUIQDQV-UHFFFAOYSA-N 0 1 267.332 2.625 20 30 CFEDMN CC(=NN=c1[nH]c2ccccc2[nH]1)c1cc(O)cc(O)c1 ZINC000753691823 574408038 /nfs/dbraw/zinc/40/80/38/574408038.db2.gz BMIVJBATLZSAMI-UHFFFAOYSA-N 0 1 282.303 2.810 20 30 CFEDMN C#CCOCCN[C@H](C)c1nc2ccccc2s1 ZINC000753772650 574410166 /nfs/dbraw/zinc/41/01/66/574410166.db2.gz ZCUVYKUTBHMVKW-LLVKDONJSA-N 0 1 260.362 2.597 20 30 CFEDMN C[C@H](C#N)C[N@H+](Cc1ccc(C(=O)[O-])cc1)C1CC1 ZINC000819873862 597387150 /nfs/dbraw/zinc/38/71/50/597387150.db2.gz DTUZZJGFYGZYND-LLVKDONJSA-N 0 1 258.321 2.509 20 30 CFEDMN C[C@H](C#N)C[N@@H+](Cc1ccc(C(=O)[O-])cc1)C1CC1 ZINC000819873862 597387152 /nfs/dbraw/zinc/38/71/52/597387152.db2.gz DTUZZJGFYGZYND-LLVKDONJSA-N 0 1 258.321 2.509 20 30 CFEDMN C=CC[N@H+](CCc1ccc(C(C)C)cc1)CC(=O)[O-] ZINC000901585997 620862372 /nfs/dbraw/zinc/86/23/72/620862372.db2.gz IBZMJFIBDZBKLC-UHFFFAOYSA-N 0 1 261.365 2.925 20 30 CFEDMN C#CCOc1ccccc1NC(=O)[C@H]1CCCN1C(C)C ZINC000935469278 649910828 /nfs/dbraw/zinc/91/08/28/649910828.db2.gz ZINFMFFQWQIGNB-OAHLLOKOSA-N 0 1 286.375 2.510 20 30 CFEDMN C=CC[N@H+](C/C=C(/C)C(=O)[O-])Cc1cccc([N+](=O)[O-])c1 ZINC000825682355 601159486 /nfs/dbraw/zinc/15/94/86/601159486.db2.gz XYNGBJHHBGGTCR-GHXNOFRVSA-N 0 1 290.319 2.614 20 30 CFEDMN C/C(=C\C[N@@H+](Cc1ccc(C#N)cc1)C1CC1)C(=O)[O-] ZINC000825730226 601159623 /nfs/dbraw/zinc/15/96/23/601159623.db2.gz TWZHQPSZUOZCQW-XYOKQWHBSA-N 0 1 270.332 2.554 20 30 CFEDMN C[N@@H+](CC(C)(C)C)[C@@H](C(=O)[O-])c1cccc(C#N)c1 ZINC000830702540 601313467 /nfs/dbraw/zinc/31/34/67/601313467.db2.gz ZQGKMSWZDPOYCZ-CYBMUJFWSA-N 0 1 260.337 2.662 20 30 CFEDMN CC[C@@H]1C[N@H+]([C@H](C(=O)[O-])c2cccc(C#N)c2)CCS1 ZINC000829141549 601321974 /nfs/dbraw/zinc/32/19/74/601321974.db2.gz NDDZRVCAKFFAQJ-KGLIPLIRSA-N 0 1 290.388 2.511 20 30 CFEDMN N#Cc1cccc([C@@H](C(=O)[O-])[N@H+]2CCC3(CCCC3)C2)c1 ZINC000833073790 601322497 /nfs/dbraw/zinc/32/24/97/601322497.db2.gz IFRXYLFVRAVBSH-HNNXBMFYSA-N 0 1 284.359 2.950 20 30 CFEDMN CCCCCCCN1CCOC[C@@H]1[C@H]1CCCO1 ZINC000796341121 629906253 /nfs/dbraw/zinc/90/62/53/629906253.db2.gz OWNSVFYDOHVBCP-HUUCEWRRSA-N 0 1 255.402 2.837 20 30 CFEDMN C=C(C)CN1CCC[C@H](NC(=O)C2CCC(F)CC2)C1 ZINC001008429319 651148334 /nfs/dbraw/zinc/14/83/34/651148334.db2.gz QUKCABMHXHNYBN-NRXISQOPSA-N 0 1 282.403 2.671 20 30 CFEDMN C=C(Br)C[N@@H+](C)CC[C@H](NC(=O)[O-])C(C)C ZINC000823474029 603821790 /nfs/dbraw/zinc/82/17/90/603821790.db2.gz LKQYIWJCNOVRSU-JTQLQIEISA-N 0 1 293.205 2.509 20 30 CFEDMN C=C(Br)C[N@H+](C)CC[C@H](NC(=O)[O-])C(C)C ZINC000823474029 603821792 /nfs/dbraw/zinc/82/17/92/603821792.db2.gz LKQYIWJCNOVRSU-JTQLQIEISA-N 0 1 293.205 2.509 20 30 CFEDMN CC(C)[C@H](CC[N@@H+](C)Cc1ccccc1C#N)NC(=O)[O-] ZINC000824104320 603823453 /nfs/dbraw/zinc/82/34/53/603823453.db2.gz DXLCNBCAYBUMAF-HNNXBMFYSA-N 0 1 289.379 2.672 20 30 CFEDMN CC(C)[C@@H](CC[N@@H+](C)Cc1ccc(C#N)cc1)NC(=O)[O-] ZINC000824105316 603826992 /nfs/dbraw/zinc/82/69/92/603826992.db2.gz RYOQAMJFMPLYSH-OAHLLOKOSA-N 0 1 289.379 2.672 20 30 CFEDMN CCC[N@@H+](CCCC(C)(C)C#N)[C@H]1CCN(C(=O)[O-])C1 ZINC000826911845 603997634 /nfs/dbraw/zinc/99/76/34/603997634.db2.gz GWJQESFROPDILP-ZDUSSCGKSA-N 0 1 281.400 2.781 20 30 CFEDMN C[C@@H]1Cc2cn[nH]c2[C@@H](C(=O)N(C)c2cccc(C#N)c2)C1 ZINC000900377606 620667078 /nfs/dbraw/zinc/66/70/78/620667078.db2.gz XUFHSAHBQAHGOZ-ABAIWWIYSA-N 0 1 294.358 2.610 20 30 CFEDMN COC1(CNC[C@H](C#N)CCC#N)CCCCCC1 ZINC000901702525 620898470 /nfs/dbraw/zinc/89/84/70/620898470.db2.gz UTSLIMZVJLYZAT-AWEZNQCLSA-N 0 1 263.385 2.759 20 30 CFEDMN CC(C)[N@@H+](CC(=O)[O-])Cc1cccc(OCCCC#N)c1 ZINC000833496432 604557925 /nfs/dbraw/zinc/55/79/25/604557925.db2.gz DBMXFRFSKLQBPF-UHFFFAOYSA-N 0 1 290.363 2.664 20 30 CFEDMN C#C[C@H](NC(=O)c1cccc2nc(C(F)F)[nH]c21)C(C)C ZINC000935800973 649947369 /nfs/dbraw/zinc/94/73/69/649947369.db2.gz LTQCLPBOBPATLC-JTQLQIEISA-N 0 1 291.301 2.888 20 30 CFEDMN C=CCOc1ccc(C[N@H+](C)C(C)(C)C(=O)[O-])cc1 ZINC000833377935 604626332 /nfs/dbraw/zinc/62/63/32/604626332.db2.gz REYSXXPRHCQHNI-UHFFFAOYSA-N 0 1 263.337 2.546 20 30 CFEDMN C#CC[N@H+](Cc1ccc(C(=O)[O-])[nH]1)[C@@H]1CCc2ccccc21 ZINC000833364208 605099111 /nfs/dbraw/zinc/09/91/11/605099111.db2.gz HGHHANXCNUQMRX-QGZVFWFLSA-N 0 1 294.354 2.836 20 30 CFEDMN C=CC[N@@H+](Cc1ccc(C(=O)[O-])[nH]1)Cc1cccs1 ZINC000833374240 605102366 /nfs/dbraw/zinc/10/23/66/605102366.db2.gz CZNJEQFJIZEGKE-UHFFFAOYSA-N 0 1 276.361 2.963 20 30 CFEDMN C=CC[N@H+](Cc1ccc(C(=O)[O-])[nH]1)Cc1cccs1 ZINC000833374240 605102368 /nfs/dbraw/zinc/10/23/68/605102368.db2.gz CZNJEQFJIZEGKE-UHFFFAOYSA-N 0 1 276.361 2.963 20 30 CFEDMN CC#CCCCC(=O)OC[C@H]1CCN1Cc1ccccc1 ZINC000851468038 634381483 /nfs/dbraw/zinc/38/14/83/634381483.db2.gz IQYINZPHAUTNTR-QGZVFWFLSA-N 0 1 285.387 2.998 20 30 CFEDMN N#CC[N@@H+](CCC1CCN(C(=O)[O-])CC1)C1CCCC1 ZINC000833968200 605608199 /nfs/dbraw/zinc/60/81/99/605608199.db2.gz YDMHMXBVUFDSFG-UHFFFAOYSA-N 0 1 279.384 2.535 20 30 CFEDMN N#CC[N@H+](CCC1CCN(C(=O)[O-])CC1)C1CCCC1 ZINC000833968200 605608204 /nfs/dbraw/zinc/60/82/04/605608204.db2.gz YDMHMXBVUFDSFG-UHFFFAOYSA-N 0 1 279.384 2.535 20 30 CFEDMN C=CCOc1ccc(C[N@H+](C[C@@H](C)C(=O)[O-])C2CC2)cc1 ZINC000833377787 605751171 /nfs/dbraw/zinc/75/11/71/605751171.db2.gz NQKUKLKBFNFWMH-CYBMUJFWSA-N 0 1 289.375 2.937 20 30 CFEDMN CC(C)(C#N)CCC[N@H+]1CCCCC[C@H]1C(=O)[O-] ZINC000087600126 605846143 /nfs/dbraw/zinc/84/61/43/605846143.db2.gz ZLHXVHOTTVTQBC-LBPRGKRZSA-N 0 1 252.358 2.646 20 30 CFEDMN O=C(C=Cc1cc(-c2nn[nH]n2)cs1)c1ccccc1O ZINC000822924050 606857656 /nfs/dbraw/zinc/85/76/56/606857656.db2.gz WBICYLWWFYGKDW-WAYWQWQTSA-N 0 1 298.327 2.530 20 30 CFEDMN CC(C)(CCC#N)CNC(=O)c1cccc(F)c1O ZINC000935994096 649970352 /nfs/dbraw/zinc/97/03/52/649970352.db2.gz ZIMQBYBBQJAOFR-UHFFFAOYSA-N 0 1 264.300 2.591 20 30 CFEDMN C=C(Cl)CN[C@@H]1CCCc2cc(-c3nn[nH]n3)ccc21 ZINC000823882787 608520764 /nfs/dbraw/zinc/52/07/64/608520764.db2.gz DIDKMLTWMUWFCP-CYBMUJFWSA-N 0 1 289.770 2.586 20 30 CFEDMN C#CCN(C)[C@H]1CCN(C(=O)CCC2CCCCC2)C1 ZINC000980316533 613089318 /nfs/dbraw/zinc/08/93/18/613089318.db2.gz JRYVTYFQTUCTRX-INIZCTEOSA-N 0 1 276.424 2.513 20 30 CFEDMN C#CCCN1CCCN(C(=O)C2(C)CCCCCC2)CC1 ZINC000981353374 613002134 /nfs/dbraw/zinc/00/21/34/613002134.db2.gz FSZUVRZNAYEKAP-UHFFFAOYSA-N 0 1 290.451 2.905 20 30 CFEDMN C#CCCN1CCCN(C(=O)[C@]2(C)CCC[C@@H]2CC)CC1 ZINC000981451455 613005428 /nfs/dbraw/zinc/00/54/28/613005428.db2.gz SXCUBMUKDCXPGA-FUHWJXTLSA-N 0 1 290.451 2.760 20 30 CFEDMN C#CCN(C)[C@@H]1CCN(C(=O)c2ccc(C(C)(C)C)cc2)C1 ZINC000972785874 613085422 /nfs/dbraw/zinc/08/54/22/613085422.db2.gz LEGIIBXYGZMEML-QGZVFWFLSA-N 0 1 298.430 2.764 20 30 CFEDMN C#CCN(C)[C@@H]1CCN(C(=O)c2cccc(C3CCC3)c2)C1 ZINC000972727534 613086287 /nfs/dbraw/zinc/08/62/87/613086287.db2.gz DHGKFOXTGOBOBU-GOSISDBHSA-N 0 1 296.414 2.734 20 30 CFEDMN C#CCN(C)[C@H]1CCN(C(=O)c2c(C)oc3ccccc32)C1 ZINC000971597258 613093646 /nfs/dbraw/zinc/09/36/46/613093646.db2.gz PEZXXFDKDFYXNS-AWEZNQCLSA-N 0 1 296.370 2.521 20 30 CFEDMN C#CCN1CCCCC[C@H]1CNC(=O)[C@@H]1CCCC12CC2 ZINC000968914322 613148163 /nfs/dbraw/zinc/14/81/63/613148163.db2.gz SHOLVODQBCJGBJ-HOTGVXAUSA-N 0 1 288.435 2.561 20 30 CFEDMN C#CCN1CCCCC[C@H]1CNC(=O)c1cc(C)ccc1C ZINC000969129830 613149139 /nfs/dbraw/zinc/14/91/39/613149139.db2.gz CXVBFASDNDQOJW-KRWDZBQOSA-N 0 1 298.430 2.911 20 30 CFEDMN C#CCN1CC[C@@H](NC(=O)C=C2CCCCC2)C(C)(C)C1 ZINC000940614798 613224933 /nfs/dbraw/zinc/22/49/33/613224933.db2.gz BZLUTPCYTDBKJR-MRXNPFEDSA-N 0 1 288.435 2.727 20 30 CFEDMN C#CCN1CC[C@@H](NC(=O)c2ccc(CC)cc2)C(C)(C)C1 ZINC000941201846 613235282 /nfs/dbraw/zinc/23/52/82/613235282.db2.gz XZOQTYNOEGDOSC-QGZVFWFLSA-N 0 1 298.430 2.713 20 30 CFEDMN C=C(C)C(C)(C)C(=O)N1C[C@@]2(C)CN(CCF)C[C@@]2(C)C1 ZINC000982427844 613244346 /nfs/dbraw/zinc/24/43/46/613244346.db2.gz CGODPZTYUHEPIO-CALCHBBNSA-N 0 1 296.430 2.729 20 30 CFEDMN C=C(C)CCN1CC(N(CC)C(=O)C2C=CC=CC=C2)C1 ZINC000950436051 613244703 /nfs/dbraw/zinc/24/47/03/613244703.db2.gz DYXQNCBKXKKBMI-UHFFFAOYSA-N 0 1 286.419 2.784 20 30 CFEDMN C=C(C)CCN1CC(N(CC)C(=O)C2CC(F)(F)C2)C1 ZINC000949864272 613245056 /nfs/dbraw/zinc/24/50/56/613245056.db2.gz MIFGTEHHVWTWJY-UHFFFAOYSA-N 0 1 286.366 2.531 20 30 CFEDMN C#CCN1CC[C@@H](NC(=O)c2sccc2CC)C[C@@H]1C ZINC000948067624 613245249 /nfs/dbraw/zinc/24/52/49/613245249.db2.gz XVAQRKIHJZXLSU-GXTWGEPZSA-N 0 1 290.432 2.526 20 30 CFEDMN C#CCN1CC[C@@H](NC(=O)c2sccc2C)C(C)(C)C1 ZINC000940530290 613245641 /nfs/dbraw/zinc/24/56/41/613245641.db2.gz BPVUNBIYZWAWMO-CYBMUJFWSA-N 0 1 290.432 2.520 20 30 CFEDMN C=C(C)CCN1CC(N(CC)C(=O)[C@]23C[C@H]2CCC3)C1 ZINC000950937012 613245689 /nfs/dbraw/zinc/24/56/89/613245689.db2.gz VUAPSDDLZAMBQZ-RHSMWYFYSA-N 0 1 276.424 2.676 20 30 CFEDMN C=C(C)CCN1CC(N(CC)C(=O)[C@H]2[C@@H]3CCCC[C@@H]32)C1 ZINC000949847124 613245746 /nfs/dbraw/zinc/24/57/46/613245746.db2.gz MRQIGVVOWIYJTR-FVQHAEBGSA-N 0 1 290.451 2.922 20 30 CFEDMN C=C(C)CCN1CC(N(CC)C(=O)c2ccncc2C)C1 ZINC000950037795 613246697 /nfs/dbraw/zinc/24/66/97/613246697.db2.gz LMLSFUYBNFAJJU-UHFFFAOYSA-N 0 1 287.407 2.503 20 30 CFEDMN C=C(C)CCN1CCN(C(=O)C[C@@H]2CC[C@H]3C[C@H]32)CC1 ZINC000948979937 613258000 /nfs/dbraw/zinc/25/80/00/613258000.db2.gz XGXTYWWYUXRBOV-HRCADAONSA-N 0 1 276.424 2.533 20 30 CFEDMN C#CCN1CC[C@H](NC(=O)C2CCC(=C)CC2)C(C)(C)C1 ZINC000941000140 613258136 /nfs/dbraw/zinc/25/81/36/613258136.db2.gz OKDJUVIQOMZQPX-INIZCTEOSA-N 0 1 288.435 2.583 20 30 CFEDMN C=C(C)CCN1CCN(C(=O)Cc2ccsc2C)CC1 ZINC000951215263 613258263 /nfs/dbraw/zinc/25/82/63/613258263.db2.gz WBENFHFRDOHDMW-UHFFFAOYSA-N 0 1 292.448 2.709 20 30 CFEDMN C#CCN1CC[C@H](NC(=O)C[C@H]2CC=CCC2)C(C)(C)C1 ZINC000940950343 613259642 /nfs/dbraw/zinc/25/96/42/613259642.db2.gz KMLWCKPFZVSAQQ-HOTGVXAUSA-N 0 1 288.435 2.583 20 30 CFEDMN C=C(C)CCN1CCN(C(=O)c2ccc(C)cc2F)CC1 ZINC000950703225 613261523 /nfs/dbraw/zinc/26/15/23/613261523.db2.gz JCRZBMSVGIEINP-UHFFFAOYSA-N 0 1 290.382 2.858 20 30 CFEDMN C#CCN1CC[C@H](NC(=O)c2ccsc2Cl)C[C@H]1C ZINC000947778693 613273477 /nfs/dbraw/zinc/27/34/77/613273477.db2.gz IFAJZVPGSIJWNX-MNOVXSKESA-N 0 1 296.823 2.617 20 30 CFEDMN C=C(C)CN1CC([C@H](C)NC(=O)c2occc2Cl)C1 ZINC000970373459 613304290 /nfs/dbraw/zinc/30/42/90/613304290.db2.gz BIPWRMDGQIRFGL-JTQLQIEISA-N 0 1 282.771 2.559 20 30 CFEDMN C=C(C)CN1CCCN(C(=O)c2cc[nH]c2CCC)CC1 ZINC000981798342 613312069 /nfs/dbraw/zinc/31/20/69/613312069.db2.gz NWBDUOLEBHFCAM-UHFFFAOYSA-N 0 1 289.423 2.691 20 30 CFEDMN C=C(C)CN1CCCN(C(=O)c2occc2Cl)CC1 ZINC000981894647 613313956 /nfs/dbraw/zinc/31/39/56/613313956.db2.gz GHUMJEVLVYAUCS-UHFFFAOYSA-N 0 1 282.771 2.657 20 30 CFEDMN C=C(C)CN1CC[C@@H](C)[C@@H](NC(=O)c2cc(C)c(C)o2)C1 ZINC000965905197 613324517 /nfs/dbraw/zinc/32/45/17/613324517.db2.gz GKSZJUOGSHLQPM-DOMZBBRYSA-N 0 1 290.407 2.913 20 30 CFEDMN C=C(Cl)CN[C@@H]1CCN(C(=O)c2ccccc2Cl)C1 ZINC000970543706 613385780 /nfs/dbraw/zinc/38/57/80/613385780.db2.gz YXLFANCPDNJXTO-LLVKDONJSA-N 0 1 299.201 2.897 20 30 CFEDMN C=CC(C)(C)C(=O)N1CC2(C1)CCCN(C[C@H](F)CC)C2 ZINC000981936871 613429464 /nfs/dbraw/zinc/42/94/64/613429464.db2.gz CXQRSALMTOYABD-CQSZACIVSA-N 0 1 296.430 2.871 20 30 CFEDMN C=CC(C)(C)C(=O)N1CCN(CCC2CCCC2)CC1 ZINC000949655962 613433324 /nfs/dbraw/zinc/43/33/24/613433324.db2.gz PRHBXLGVBTTZHE-UHFFFAOYSA-N 0 1 278.440 2.923 20 30 CFEDMN C=C[C@@](C)(CC)C(=O)N1CCN(CCCC)CC1 ZINC000950051880 613473714 /nfs/dbraw/zinc/47/37/14/613473714.db2.gz XSQNBFGUXBLEJW-HNNXBMFYSA-N 0 1 252.402 2.533 20 30 CFEDMN C=CCCN1CCN(C(=O)[C@H]2[C@@H]3CCCCCC[C@@H]32)CC1 ZINC000950715536 613506740 /nfs/dbraw/zinc/50/67/40/613506740.db2.gz UQXUXMXBRCTKDU-FVQHAEBGSA-N 0 1 290.451 2.923 20 30 CFEDMN C=CCCN1CCN(C(=O)[C@@H]2[C@@H](C=C(C)C)C2(C)C)CC1 ZINC000949198242 613506768 /nfs/dbraw/zinc/50/67/68/613506768.db2.gz BKOQUJSLHMTVHQ-CVEARBPZSA-N 0 1 290.451 2.945 20 30 CFEDMN C=CCCN1CCN(C(=O)[C@@]2(C)CC=C(C)CC2)CC1 ZINC000957741727 613506793 /nfs/dbraw/zinc/50/67/93/613506793.db2.gz YTLPNXDWJVHVTI-KRWDZBQOSA-N 0 1 276.424 2.843 20 30 CFEDMN C=CCCN1CCN(C(=O)[C@H]2CCC[C@@H]2CCC)CC1 ZINC000948993255 613508272 /nfs/dbraw/zinc/50/82/72/613508272.db2.gz VYGKFBRSWLSTGR-HOTGVXAUSA-N 0 1 278.440 2.923 20 30 CFEDMN CC#CCN1CC([C@H](C)NC(=O)C2CCCCCCC2)C1 ZINC000970128404 613535705 /nfs/dbraw/zinc/53/57/05/613535705.db2.gz XQAQVTRMHNGJKB-HNNXBMFYSA-N 0 1 290.451 2.807 20 30 CFEDMN CC#CCN1CC([C@H](C)NC(=O)[C@H]2CC[C@H](CC)CC2)C1 ZINC000970770852 613536440 /nfs/dbraw/zinc/53/64/40/613536440.db2.gz FUPXRIOMAIQMKZ-JYJNAYRXSA-N 0 1 290.451 2.663 20 30 CFEDMN CC#CCN1CCCC2(CN(C(=O)c3ccccc3C)C2)C1 ZINC000981595231 613544172 /nfs/dbraw/zinc/54/41/72/613544172.db2.gz MMEYAHICAACILV-UHFFFAOYSA-N 0 1 296.414 2.556 20 30 CFEDMN CC#CCN1CC[C@H](C)[C@@H](NC(=O)c2ccc(C)c(C)c2)C1 ZINC000968607687 613591454 /nfs/dbraw/zinc/59/14/54/613591454.db2.gz ZCMGZDAYODUZTR-YJBOKZPZSA-N 0 1 298.430 2.767 20 30 CFEDMN CC#CCN1C[C@@H](NC(=O)C=C2CCCCC2)C(C)(C)C1 ZINC000972846689 613608211 /nfs/dbraw/zinc/60/82/11/613608211.db2.gz RLSGSEXBIRDDKV-MRXNPFEDSA-N 0 1 288.435 2.727 20 30 CFEDMN CC#CCN1C[C@@H](NC(=O)[C@H]2CCCC2(C)C)C(C)(C)C1 ZINC000974939927 613610682 /nfs/dbraw/zinc/61/06/82/613610682.db2.gz YKHYTKDGSDGFCC-HUUCEWRRSA-N 0 1 290.451 2.663 20 30 CFEDMN C=CCN1CC([C@@H](C)NC(=O)[C@@H]2CCC=CCCC2)C1 ZINC000969946133 613662046 /nfs/dbraw/zinc/66/20/46/613662046.db2.gz AULZSOHETDAVJK-HUUCEWRRSA-N 0 1 276.424 2.745 20 30 CFEDMN C=CCN1CC([C@@H](C)NC(=O)[C@H]2CCCC(C)(C)C2)C1 ZINC000970947296 613662971 /nfs/dbraw/zinc/66/29/71/613662971.db2.gz IPFHDGKHIREACP-KGLIPLIRSA-N 0 1 278.440 2.825 20 30 CFEDMN C=CCN1CC([C@@H](C)NC(=O)c2cc(C)c(F)c(C)c2)C1 ZINC000970897906 613664233 /nfs/dbraw/zinc/66/42/33/613664233.db2.gz IDHFDYLIXDODPK-CYBMUJFWSA-N 0 1 290.382 2.679 20 30 CFEDMN C=CCN1CC([C@@H](C)NC(=O)c2cc(Cl)cs2)C1 ZINC000970528921 613664963 /nfs/dbraw/zinc/66/49/63/613664963.db2.gz KFWQKGYZDCFJEU-SECBINFHSA-N 0 1 284.812 2.638 20 30 CFEDMN C=CCN1CC([C@@H](C)NC(=O)c2ccc(Cl)c(C)c2)C1 ZINC000970365866 613665214 /nfs/dbraw/zinc/66/52/14/613665214.db2.gz HBYPXXHJNVRULL-GFCCVEGCSA-N 0 1 292.810 2.885 20 30 CFEDMN C=CCN1CC([C@@H](C)NC(=O)c2ccoc2C(C)C)C1 ZINC000970949188 613666333 /nfs/dbraw/zinc/66/63/33/613666333.db2.gz HEPSHEFFNXBKES-GFCCVEGCSA-N 0 1 276.380 2.639 20 30 CFEDMN C=CCN1CC([C@@H](C)NC(=O)c2csc(C(C)C)n2)C1 ZINC000970589233 613667534 /nfs/dbraw/zinc/66/75/34/613667534.db2.gz KDMKXSHRWDTOLQ-LLVKDONJSA-N 0 1 293.436 2.503 20 30 CFEDMN C=CCN1CC([C@@H](C)NC(=O)c2oc(C(F)F)cc2C)C1 ZINC000969876192 613668124 /nfs/dbraw/zinc/66/81/24/613668124.db2.gz GZJWDISNBIBQDS-SNVBAGLBSA-N 0 1 298.333 2.762 20 30 CFEDMN C=CCN1CC([C@@H](C)NC(=O)c2sccc2Cl)C1 ZINC000969724280 613668185 /nfs/dbraw/zinc/66/81/85/613668185.db2.gz CXMVKMTZPWLPHY-SECBINFHSA-N 0 1 284.812 2.638 20 30 CFEDMN C=CCN1CC([C@H](C)NC(=O)C2CCCCCCC2)C1 ZINC000970120377 613668217 /nfs/dbraw/zinc/66/82/17/613668217.db2.gz LZYXMFDRCNEIMO-AWEZNQCLSA-N 0 1 278.440 2.969 20 30 CFEDMN C=CCN1CC([C@H](C)NC(=O)[C@@H]2CCCC(C)(C)C2)C1 ZINC000970947297 613668648 /nfs/dbraw/zinc/66/86/48/613668648.db2.gz IPFHDGKHIREACP-UONOGXRCSA-N 0 1 278.440 2.825 20 30 CFEDMN C=CCN1CC([C@H](C)NC(=O)c2cc(F)ccc2Cl)C1 ZINC000970485136 613671035 /nfs/dbraw/zinc/67/10/35/613671035.db2.gz DCEKGBZDDVFARW-JTQLQIEISA-N 0 1 296.773 2.715 20 30 CFEDMN C=CCN1CC([C@H](C)NC(=O)c2ccc3c(c2)CCC=C3)C1 ZINC000970751860 613671391 /nfs/dbraw/zinc/67/13/91/613671391.db2.gz JVFIVMZNHRHELM-AWEZNQCLSA-N 0 1 296.414 2.882 20 30 CFEDMN C=CCN1CC([C@H](C)NC(=O)c2ccc(C3CC3)nc2C)C1 ZINC000970444394 613671484 /nfs/dbraw/zinc/67/14/84/613671484.db2.gz GDMJGOIWVLZWRL-LBPRGKRZSA-N 0 1 299.418 2.504 20 30 CFEDMN C=CCN1CCCCC[C@H]1CNC(=O)c1cnc(C)s1 ZINC000968782308 613687165 /nfs/dbraw/zinc/68/71/65/613687165.db2.gz VOOVNPLUXKDNKO-ZDUSSCGKSA-N 0 1 293.436 2.612 20 30 CFEDMN C=CCN1CCCN(C(=O)CCc2ccccc2C)CC1 ZINC000982026977 613689267 /nfs/dbraw/zinc/68/92/67/613689267.db2.gz RQSQJBKOPAGWOK-UHFFFAOYSA-N 0 1 286.419 2.648 20 30 CFEDMN C=CCN1CCCN(C(=O)[C@@H]2CCCC(F)(F)C2)CC1 ZINC000981941409 613691487 /nfs/dbraw/zinc/69/14/87/613691487.db2.gz OPCCJZCZCFTANA-CYBMUJFWSA-N 0 1 286.366 2.532 20 30 CFEDMN C=CCN1CCCN(C(=O)[C@@H]2CCCC[C@H]2CC)CC1 ZINC000983386911 613691585 /nfs/dbraw/zinc/69/15/85/613691585.db2.gz BBHFVXIJWGTELD-HZPDHXFCSA-N 0 1 278.440 2.923 20 30 CFEDMN C=CCN1CCCN(C(=O)[C@@H]2C[C@@H]3CCCC[C@H]23)CC1 ZINC000981668725 613692790 /nfs/dbraw/zinc/69/27/90/613692790.db2.gz RYYZAMSLPYIJLH-HRCADAONSA-N 0 1 276.424 2.533 20 30 CFEDMN C=CCN1CCCN(C(=O)[C@H](C)c2ccsc2)CC1 ZINC000981944465 613693656 /nfs/dbraw/zinc/69/36/56/613693656.db2.gz MLXQYVJOGRUATR-CYBMUJFWSA-N 0 1 278.421 2.572 20 30 CFEDMN C=CCN1CCCN(C(=O)c2cccc3ccncc32)CC1 ZINC000983482389 613698326 /nfs/dbraw/zinc/69/83/26/613698326.db2.gz LHAHGUPDVCOMNN-UHFFFAOYSA-N 0 1 295.386 2.569 20 30 CFEDMN C=CCN1CC[C@@H](C)[C@@H](NC(=O)C2CCCCC2)C1 ZINC000964681166 613728257 /nfs/dbraw/zinc/72/82/57/613728257.db2.gz BGEPPWPETNCQPI-HIFRSBDPSA-N 0 1 264.413 2.579 20 30 CFEDMN C=CCN1CC[C@@H](C)[C@@H](NC(=O)Cc2ccc(C)cc2)C1 ZINC000967278615 613728365 /nfs/dbraw/zinc/72/83/65/613728365.db2.gz FDGNIYMAMUPYKP-WBVHZDCISA-N 0 1 286.419 2.550 20 30 CFEDMN C=CCN1CC[C@@H](C)[C@@H](NC(=O)c2c(C)coc2C)C1 ZINC000965984781 613729171 /nfs/dbraw/zinc/72/91/71/613729171.db2.gz JCWVQVSWOXGDLS-RISCZKNCSA-N 0 1 276.380 2.523 20 30 CFEDMN C=CCN1CC[C@@H](C)[C@@H](NC(=O)c2ccc(C)cc2C)C1 ZINC000968610451 613729652 /nfs/dbraw/zinc/72/96/52/613729652.db2.gz QHTUWDVIIWNYFW-PBHICJAKSA-N 0 1 286.419 2.930 20 30 CFEDMN C=CCN1CC[C@@H](C)[C@@H](NC(=O)c2cc3ccccc3[nH]2)C1 ZINC000968627625 613729711 /nfs/dbraw/zinc/72/97/11/613729711.db2.gz KLUQJRRUTPMEMN-DYVFJYSZSA-N 0 1 297.402 2.794 20 30 CFEDMN C=CCN1CC[C@@H](C)[C@@H](NC(=O)c2ccc(F)cc2F)C1 ZINC000968607540 613730060 /nfs/dbraw/zinc/73/00/60/613730060.db2.gz VZUIAOZZEUVORB-ABAIWWIYSA-N 0 1 294.345 2.591 20 30 CFEDMN C=CCN1CC[C@@H](C)[C@@H](NC(=O)c2csc(C)c2)C1 ZINC000968418421 613731089 /nfs/dbraw/zinc/73/10/89/613731089.db2.gz KMPAFFOFSDDHAJ-RISCZKNCSA-N 0 1 278.421 2.683 20 30 CFEDMN C=CCN1CC[C@@H](C)[C@H](NC(=O)c2ccc(CF)cc2)C1 ZINC000968687582 613734232 /nfs/dbraw/zinc/73/42/32/613734232.db2.gz DBUIZLARWPEDAZ-CZUORRHYSA-N 0 1 290.382 2.782 20 30 CFEDMN C=CCN1CC[C@@H](C)[C@H](NC(=O)c2cc3ccccn3c2)C1 ZINC000968381720 613734737 /nfs/dbraw/zinc/73/47/37/613734737.db2.gz GFAFWEPRXKEWRM-RHSMWYFYSA-N 0 1 297.402 2.566 20 30 CFEDMN C=CCN1CC[C@H](C)[C@@H](NC(=O)c2ccc(C)c(C)c2)C1 ZINC000968607267 613768739 /nfs/dbraw/zinc/76/87/39/613768739.db2.gz QLICTEKQBBZTLE-YOEHRIQHSA-N 0 1 286.419 2.930 20 30 CFEDMN C=CCN1CC[C@H](C)[C@@H](NC(=O)c2cc[nH]c2C(C)C)C1 ZINC000967963591 613769016 /nfs/dbraw/zinc/76/90/16/613769016.db2.gz DRSIISHAHDXGOE-ZFWWWQNUSA-N 0 1 289.423 2.764 20 30 CFEDMN C=CCN1CC[C@H](C)[C@H](NC(=O)C2(c3ccccc3)CC2)C1 ZINC000968615129 613771914 /nfs/dbraw/zinc/77/19/14/613771914.db2.gz SESSBROINCELIG-DOTOQJQBSA-N 0 1 298.430 2.731 20 30 CFEDMN C=CCN1CC[C@H](C)[C@H](NC(=O)c2ccnc(C3CC3)c2)C1 ZINC000967265520 613774179 /nfs/dbraw/zinc/77/41/79/613774179.db2.gz VRZQFYQCWYXJHS-SUMWQHHRSA-N 0 1 299.418 2.585 20 30 CFEDMN C=CCN1C[C@@H](NC(=O)C(F)=C2CCCC2)C(C)(C)C1 ZINC000973030262 613806364 /nfs/dbraw/zinc/80/63/64/613806364.db2.gz DNQPYTVGIQRIPK-CYBMUJFWSA-N 0 1 280.387 2.797 20 30 CFEDMN C=CCN1C[C@@H](NC(=O)[C@H]2CCCC2(C)C)C(C)(C)C1 ZINC000974934500 613808555 /nfs/dbraw/zinc/80/85/55/613808555.db2.gz IIRUVTOHBKNTEV-ZIAGYGMSSA-N 0 1 278.440 2.825 20 30 CFEDMN C=CCN1C[C@@H](NC(=O)c2sccc2CC)C(C)(C)C1 ZINC000977636460 613812384 /nfs/dbraw/zinc/81/23/84/613812384.db2.gz CKGCASXTUUEXLB-CYBMUJFWSA-N 0 1 292.448 2.937 20 30 CFEDMN C=CCN1C[C@H](NC(=O)C2C(C)(C)C2(C)C)C(C)(C)C1 ZINC000972999445 613826372 /nfs/dbraw/zinc/82/63/72/613826372.db2.gz ZKRNMSBQPADOHW-LBPRGKRZSA-N 0 1 278.440 2.681 20 30 CFEDMN C=CCN1C[C@H](NC(=O)[C@H]2C[C@@H]2c2ccccc2)C(C)(C)C1 ZINC000977270350 613828268 /nfs/dbraw/zinc/82/82/68/613828268.db2.gz ACHREYAXAFAZOG-IKGGRYGDSA-N 0 1 298.430 2.803 20 30 CFEDMN C=CCN1C[C@H](NC(=O)c2cc(F)cc(F)c2)C(C)(C)C1 ZINC000977552688 613828730 /nfs/dbraw/zinc/82/87/30/613828730.db2.gz OJTCVQROOOPNGS-AWEZNQCLSA-N 0 1 294.345 2.591 20 30 CFEDMN C=CCN1C[C@H](NC(=O)c2cccc(F)c2C)C(C)(C)C1 ZINC000974628645 613829057 /nfs/dbraw/zinc/82/90/57/613829057.db2.gz HPHYREDSVNWMQS-HNNXBMFYSA-N 0 1 290.382 2.760 20 30 CFEDMN CC(C)C(=O)N[C@H]1CCN(CC#Cc2ccccc2)[C@H](C)C1 ZINC000947069725 613954402 /nfs/dbraw/zinc/95/44/02/613954402.db2.gz BILXMAIYMNQALQ-AEFFLSMTSA-N 0 1 298.430 2.663 20 30 CFEDMN CC(C)C(=O)N[C@H]1CCN(Cc2ccccc2C#N)C[C@@H]1C ZINC000941831690 613955887 /nfs/dbraw/zinc/95/58/87/613955887.db2.gz FCIYBJZMBCLOJA-YOEHRIQHSA-N 0 1 299.418 2.541 20 30 CFEDMN C=CCCCN(CC)C(=O)c1n[nH]c(C(C)C)c1[N+](=O)[O-] ZINC000890811341 617909753 /nfs/dbraw/zinc/90/97/53/617909753.db2.gz BDNWUEXDBCWTBU-UHFFFAOYSA-N 0 1 294.355 2.870 20 30 CFEDMN C[C@H](CCC(=O)C(C#N)C(=O)NC1CC1)c1ccccc1 ZINC000160174060 617606330 /nfs/dbraw/zinc/60/63/30/617606330.db2.gz UUZGSJAYFNFCJH-DOMZBBRYSA-N 0 1 284.359 2.558 20 30 CFEDMN C=CC[C@H]1CCN1C(=O)c1cc(CCCCC)[nH]n1 ZINC000890549434 617640316 /nfs/dbraw/zinc/64/03/16/617640316.db2.gz MQKPVNMOXILRIV-ZDUSSCGKSA-N 0 1 261.369 2.933 20 30 CFEDMN C#C[C@H]1CCCCN1C(=O)c1cnc(-c2ccccc2)[nH]1 ZINC000890650704 617736204 /nfs/dbraw/zinc/73/62/04/617736204.db2.gz PAEDBNILDBALNV-AWEZNQCLSA-N 0 1 279.343 2.705 20 30 CFEDMN N#Cc1cnccc1CN[C@H]1CCOC12CCCCC2 ZINC000933873413 617801113 /nfs/dbraw/zinc/80/11/13/617801113.db2.gz BLSXPHQOCZLTJC-HNNXBMFYSA-N 0 1 271.364 2.535 20 30 CFEDMN CCc1nn(C)cc1/C=C\C(=O)c1ccc(O)c(F)c1 ZINC000255051218 617814122 /nfs/dbraw/zinc/81/41/22/617814122.db2.gz BYADOOSWIGUTOC-WAYWQWQTSA-N 0 1 274.295 2.723 20 30 CFEDMN COC(=O)C[C@@H](NCc1cccc(F)c1C#N)C(C)(C)C ZINC000934033614 617872173 /nfs/dbraw/zinc/87/21/73/617872173.db2.gz MYZVTCSHYMFYJI-CQSZACIVSA-N 0 1 292.354 2.765 20 30 CFEDMN Fc1ccc(N=NCc2ccnn2C2CCC2)nc1 ZINC000901185215 620759223 /nfs/dbraw/zinc/75/92/23/620759223.db2.gz MONAZNWWRNYZHD-UHFFFAOYSA-N 0 1 259.288 2.588 20 30 CFEDMN CC(N=Nc1ccc(F)cc1F)c1cc2n(n1)CCC2 ZINC000841604049 617890187 /nfs/dbraw/zinc/89/01/87/617890187.db2.gz LKSJGUQYBRBCRB-UHFFFAOYSA-N 0 1 276.290 2.944 20 30 CFEDMN C=C(C)c1cccc(NC(=O)[C@H](C)CN2CCOCC2)c1 ZINC000890890144 617935859 /nfs/dbraw/zinc/93/58/59/617935859.db2.gz KLBBKRKMLZZYEA-CQSZACIVSA-N 0 1 288.391 2.627 20 30 CFEDMN C=CCCCCCN(C)Cc1cnc2n1CCOC2 ZINC000892071989 617937418 /nfs/dbraw/zinc/93/74/18/617937418.db2.gz ZJMDYBPSPRBQEW-UHFFFAOYSA-N 0 1 263.385 2.592 20 30 CFEDMN COCCCOC1CCN(Cc2csc(C#N)c2)CC1 ZINC000892084085 617943898 /nfs/dbraw/zinc/94/38/98/617943898.db2.gz WOOVFDQUXATDTB-UHFFFAOYSA-N 0 1 294.420 2.637 20 30 CFEDMN CCCCCCCCN1CCN(Cc2noc(C)n2)CC1 ZINC000158117629 618030411 /nfs/dbraw/zinc/03/04/11/618030411.db2.gz QRCFABXZFAXUIL-UHFFFAOYSA-N 0 1 294.443 2.856 20 30 CFEDMN C=CC[C@@H]1CC[N@H+]1Cc1cc(=O)oc2cc([O-])ccc12 ZINC000934468006 618044709 /nfs/dbraw/zinc/04/47/09/618044709.db2.gz YCPQMKHFIBQGIC-GFCCVEGCSA-N 0 1 271.316 2.649 20 30 CFEDMN C=CC[C@@H]1CC[N@@H+]1Cc1cc(=O)oc2cc([O-])ccc12 ZINC000934468006 618044712 /nfs/dbraw/zinc/04/47/12/618044712.db2.gz YCPQMKHFIBQGIC-GFCCVEGCSA-N 0 1 271.316 2.649 20 30 CFEDMN C=CC[C@H]1CCN1CC(=O)NC1(c2ccccc2)CCC1 ZINC000934469282 618045159 /nfs/dbraw/zinc/04/51/59/618045159.db2.gz RWVDWUTYSCBHIQ-INIZCTEOSA-N 0 1 284.403 2.832 20 30 CFEDMN C=CC[C@@H]1CCN1C[C@@H](O)c1ccc(F)c(F)c1 ZINC000934471563 618046204 /nfs/dbraw/zinc/04/62/04/618046204.db2.gz UTNBJWIEFRIAMV-BXUZGUMPSA-N 0 1 253.292 2.649 20 30 CFEDMN C#C[C@H]1CCCCN1Cc1cnc2c(cnn2C(C)C)c1 ZINC000934510821 618059339 /nfs/dbraw/zinc/05/93/39/618059339.db2.gz CNLBZNSJJJDHKJ-INIZCTEOSA-N 0 1 282.391 3.000 20 30 CFEDMN C=C[C@@H](C)NC(=O)c1ccc(CN2CCCCC2)o1 ZINC000934528616 618065294 /nfs/dbraw/zinc/06/52/94/618065294.db2.gz LLMCBKHRXKIVIR-GFCCVEGCSA-N 0 1 262.353 2.570 20 30 CFEDMN CC(CC(F)(F)F)N=N[C@@H]1C[C@@H](C)O[C@@H](C)C1 ZINC000901303044 620780293 /nfs/dbraw/zinc/78/02/93/620780293.db2.gz MIPNRUKGMGYHDC-ILWJIGKKSA-N 0 1 252.280 2.860 20 30 CFEDMN CCCCCCCCC(=O)N[C@H](C)c1nnc[nH]1 ZINC000176743780 618106284 /nfs/dbraw/zinc/10/62/84/618106284.db2.gz VMCMAQLYEWXWPL-LLVKDONJSA-N 0 1 252.362 2.733 20 30 CFEDMN CC(=NNc1cccc(F)c1F)c1cc2n(n1)CCC2 ZINC000841626959 618123730 /nfs/dbraw/zinc/12/37/30/618123730.db2.gz WOSVLJMMIZCNMB-UHFFFAOYSA-N 0 1 276.290 2.944 20 30 CFEDMN Cc1ccc(F)c(NN=C2C[C@H](C)n3ncnc32)c1 ZINC000841629682 618134713 /nfs/dbraw/zinc/13/47/13/618134713.db2.gz SAGGIXYESGUCGT-VIFPVBQESA-N 0 1 259.288 2.507 20 30 CFEDMN CCCCCNC(=O)C(C#N)C(=O)C1CCCCC1 ZINC000069911274 618137828 /nfs/dbraw/zinc/13/78/28/618137828.db2.gz LEWYALHABRJYTB-ZDUSSCGKSA-N 0 1 264.369 2.582 20 30 CFEDMN C[C@H](NCC[S@](=O)C(C)(C)C)c1ccc(C#N)cc1F ZINC000781420494 618147460 /nfs/dbraw/zinc/14/74/60/618147460.db2.gz AQVMGFDHOHKHEP-YBTHPKLGSA-N 0 1 296.411 2.895 20 30 CFEDMN C[C@@H]1C[C@@H](NN=Cc2cc(F)c(O)c(F)c2)C[C@H](C)O1 ZINC000901311699 620783148 /nfs/dbraw/zinc/78/31/48/620783148.db2.gz VXLCKMFFDGGOJQ-DOFRTFSJSA-N 0 1 284.306 2.550 20 30 CFEDMN N#Cc1ccc(O)c(NC(=O)c2ccccc2F)c1 ZINC000176822146 618206084 /nfs/dbraw/zinc/20/60/84/618206084.db2.gz YTGHSNYJQGZEKY-UHFFFAOYSA-N 0 1 256.236 2.655 20 30 CFEDMN N#Cc1cc(F)ccc1CNC1([C@@H]2CCCCO2)CC1 ZINC000933377559 618215119 /nfs/dbraw/zinc/21/51/19/618215119.db2.gz KQNXHDWQMRHLNX-HNNXBMFYSA-N 0 1 274.339 2.889 20 30 CFEDMN COC(=O)c1ccc(/C=C/C(=O)c2ccc(C)cc2O)o1 ZINC000176956448 618246780 /nfs/dbraw/zinc/24/67/80/618246780.db2.gz XDUCFBTXVCTIAE-QPJJXVBHSA-N 0 1 286.283 2.976 20 30 CFEDMN FC(F)(F)c1cc(C=NNC2CCC(F)(F)CC2)[nH]n1 ZINC000901341679 620789315 /nfs/dbraw/zinc/78/93/15/620789315.db2.gz NDNVBCYDLATXIE-UHFFFAOYSA-N 0 1 296.243 2.930 20 30 CFEDMN Cc1ncoc1CN1CCC(Oc2ccc(C#N)cc2)CC1 ZINC000894003573 618270204 /nfs/dbraw/zinc/27/02/04/618270204.db2.gz NPCOKAQHOIITJU-UHFFFAOYSA-N 0 1 297.358 2.898 20 30 CFEDMN C#C[C@H](N[C@@H]1CCCc2nc(C)sc21)[C@@H]1CCCO1 ZINC000775573481 618278467 /nfs/dbraw/zinc/27/84/67/618278467.db2.gz ZBGVTKOWXNNTND-YUTCNCBUSA-N 0 1 276.405 2.599 20 30 CFEDMN C=CCN1CCCC[C@H]1CNC(=O)c1ccccc1F ZINC001024305343 618288971 /nfs/dbraw/zinc/28/89/71/618288971.db2.gz OEHTYNSVJCZCMI-ZDUSSCGKSA-N 0 1 276.355 2.596 20 30 CFEDMN C#CCCN1CCCC[C@H]1CNC(=O)c1sccc1C ZINC001024307465 618289420 /nfs/dbraw/zinc/28/94/20/618289420.db2.gz VXGDDIZHWORSQX-AWEZNQCLSA-N 0 1 290.432 2.664 20 30 CFEDMN C#CCCN1CCCC[C@H]1CNC(=O)c1ccc(C)s1 ZINC001024306939 618289647 /nfs/dbraw/zinc/28/96/47/618289647.db2.gz IOIDPRFLMXKTNJ-AWEZNQCLSA-N 0 1 290.432 2.664 20 30 CFEDMN C#CCC[N@@H+]1CCCC[C@H]1CNC(=O)c1ccc(Cl)o1 ZINC001024333207 618294254 /nfs/dbraw/zinc/29/42/54/618294254.db2.gz NLNZLAKGHGEZCE-LBPRGKRZSA-N 0 1 294.782 2.541 20 30 CFEDMN C#CCCN1CCCC[C@H]1CNC(=O)c1ccc(Cl)o1 ZINC001024333207 618294256 /nfs/dbraw/zinc/29/42/56/618294256.db2.gz NLNZLAKGHGEZCE-LBPRGKRZSA-N 0 1 294.782 2.541 20 30 CFEDMN CC#CCN1CCCC[C@H]1CNC(=O)C1C(C)(C)C1(C)C ZINC001024379805 618306594 /nfs/dbraw/zinc/30/65/94/618306594.db2.gz ARSBLIICWLFWCM-AWEZNQCLSA-N 0 1 290.451 2.663 20 30 CFEDMN C=CCN1CCCC[C@H]1CNC(=O)c1c(C)coc1C ZINC001024425639 618311442 /nfs/dbraw/zinc/31/14/42/618311442.db2.gz GVGIRVQYMPKMPU-AWEZNQCLSA-N 0 1 276.380 2.667 20 30 CFEDMN CC#CCN1CCCC[C@H]1CNC(=O)c1ccsc1C ZINC001024433894 618315374 /nfs/dbraw/zinc/31/53/74/618315374.db2.gz PRKCURKSYMSTSM-AWEZNQCLSA-N 0 1 290.432 2.664 20 30 CFEDMN C#CCN1CCCC[C@@H]1CNC(=O)[C@@H]1CCC(C)=C(C)C1 ZINC001024455000 618319846 /nfs/dbraw/zinc/31/98/46/618319846.db2.gz IXTXJFXAGZKJGL-IAGOWNOFSA-N 0 1 288.435 2.727 20 30 CFEDMN C=CCN1CCCC[C@@H]1CNC(=O)c1nc(C)sc1C ZINC001024505257 618337825 /nfs/dbraw/zinc/33/78/25/618337825.db2.gz XYEMOUDHQYOGFF-CYBMUJFWSA-N 0 1 293.436 2.530 20 30 CFEDMN C=C(C)CN1CCC[C@@H](NC(=O)C2CCC(=C)CC2)C1 ZINC001008414393 618339961 /nfs/dbraw/zinc/33/99/61/618339961.db2.gz ZJHAXBKTGSDIQS-MRXNPFEDSA-N 0 1 276.424 2.890 20 30 CFEDMN N#Cc1ccc(O)c(NC(=O)c2cc3ccccc3[nH]2)c1 ZINC000179733565 618343670 /nfs/dbraw/zinc/34/36/70/618343670.db2.gz GWMHVOYYTJXEMG-UHFFFAOYSA-N 0 1 277.283 2.997 20 30 CFEDMN N#Cc1ccc(O)c(NC(=O)c2ccc(F)c(F)c2)c1 ZINC000179735946 618343867 /nfs/dbraw/zinc/34/38/67/618343867.db2.gz YPYBRSUFNFKKFT-UHFFFAOYSA-N 0 1 274.226 2.794 20 30 CFEDMN CN(C)[C@@H](C(=O)Nc1cc(C#N)ccc1O)c1ccccc1 ZINC000179740485 618344027 /nfs/dbraw/zinc/34/40/27/618344027.db2.gz XVFXABGVKOJDQJ-MRXNPFEDSA-N 0 1 295.342 2.505 20 30 CFEDMN C=CCN1CCCC[C@H]1CNC(=O)c1cc2cnccc2o1 ZINC001024532377 618347918 /nfs/dbraw/zinc/34/79/18/618347918.db2.gz FSOAXUXSWSEKGC-AWEZNQCLSA-N 0 1 299.374 2.598 20 30 CFEDMN CC[N@@H+](Cc1cc(Cl)cc([N+](=O)[O-])c1[O-])C[C@@H](C)C#N ZINC000091982925 618353441 /nfs/dbraw/zinc/35/34/41/618353441.db2.gz APOKPKYIKZHGFA-VIFPVBQESA-N 0 1 297.742 2.935 20 30 CFEDMN CC[N@H+](Cc1cc(Cl)cc([N+](=O)[O-])c1[O-])C[C@@H](C)C#N ZINC000091982925 618353453 /nfs/dbraw/zinc/35/34/53/618353453.db2.gz APOKPKYIKZHGFA-VIFPVBQESA-N 0 1 297.742 2.935 20 30 CFEDMN C=CCN1CCCC[C@H]1CNC(=O)[C@@H]1CC[C@@H]2C[C@@H]2CC1 ZINC001024573258 618388008 /nfs/dbraw/zinc/38/80/08/618388008.db2.gz YXZNINDKDKRWJG-NXOAAHMSSA-N 0 1 290.451 2.969 20 30 CFEDMN CC(C)NC(=O)C(C#N)C(=O)CCCCc1ccccc1 ZINC000892499551 618394796 /nfs/dbraw/zinc/39/47/96/618394796.db2.gz YDZIRAFKBWSGDT-OAHLLOKOSA-N 0 1 286.375 2.633 20 30 CFEDMN C[C@]1(C(F)F)CN(CC2CCC(C#N)CC2)CCO1 ZINC000931080187 618405982 /nfs/dbraw/zinc/40/59/82/618405982.db2.gz QTOVYUSWJFCGDA-ORHYLEIMSA-N 0 1 272.339 2.672 20 30 CFEDMN C=CCN1CCCC[C@@H]1CNC(=O)C1CC2(CCC2)C1 ZINC001024602063 618409356 /nfs/dbraw/zinc/40/93/56/618409356.db2.gz QPJAVZCKHVSZDX-OAHLLOKOSA-N 0 1 276.424 2.723 20 30 CFEDMN CC(C)(C)c1ccc(CN[C@H]2CCCN(O)C2=O)s1 ZINC000895164191 618414718 /nfs/dbraw/zinc/41/47/18/618414718.db2.gz DWQNOYUJQWXHIX-NSHDSACASA-N 0 1 282.409 2.515 20 30 CFEDMN Clc1cccc(C#CCN2CCC[C@H]2c2nnc[nH]2)c1 ZINC000931139240 618420365 /nfs/dbraw/zinc/42/03/65/618420365.db2.gz AAOBYXOYFTURFD-AWEZNQCLSA-N 0 1 286.766 2.647 20 30 CFEDMN C=CC[N@@H+]1CCCC[C@H]1CNC(=O)c1cc[nH]c1CCC ZINC001024615240 618421217 /nfs/dbraw/zinc/42/12/17/618421217.db2.gz PSKHOBNGVZOJID-AWEZNQCLSA-N 0 1 289.423 2.738 20 30 CFEDMN C=CCN1CCCC[C@H]1CNC(=O)c1cc[nH]c1CCC ZINC001024615240 618421221 /nfs/dbraw/zinc/42/12/21/618421221.db2.gz PSKHOBNGVZOJID-AWEZNQCLSA-N 0 1 289.423 2.738 20 30 CFEDMN C=CCN1CCCC[C@@H]1CNC(=O)c1coc(C(F)F)c1 ZINC001024624039 618424718 /nfs/dbraw/zinc/42/47/18/618424718.db2.gz LFXHPILJWDNRRM-GFCCVEGCSA-N 0 1 298.333 2.988 20 30 CFEDMN CCc1[nH]c(CNCc2ccc(C#N)cc2)cc1C(=O)OC ZINC000894186024 618431848 /nfs/dbraw/zinc/43/18/48/618431848.db2.gz GMWPHAVCFVGOQA-UHFFFAOYSA-N 0 1 297.358 2.525 20 30 CFEDMN C#CCCN1CC[C@@H]1CN(C)C(=O)c1ccsc1Cl ZINC001085857294 782186787 /nfs/dbraw/zinc/18/67/87/782186787.db2.gz UYLKACBWDLONAH-LLVKDONJSA-N 0 1 296.823 2.571 20 30 CFEDMN C=CCN1CCCC[C@H]1CNC(=O)c1ccc(F)cc1C ZINC001024768287 618465733 /nfs/dbraw/zinc/46/57/33/618465733.db2.gz PBPZYWCBQJGSPY-HNNXBMFYSA-N 0 1 290.382 2.904 20 30 CFEDMN C#C[C@@H]1CCCN(Cc2cnn(CC3CCC3)c2)C1 ZINC000895201339 618467422 /nfs/dbraw/zinc/46/74/22/618467422.db2.gz BPKZUXLEXQBSTN-CQSZACIVSA-N 0 1 257.381 2.528 20 30 CFEDMN N#Cc1ccc(CCNCc2nnc(C3CC3)s2)cc1 ZINC000895308863 618525194 /nfs/dbraw/zinc/52/51/94/618525194.db2.gz CSESKMASKZGOOQ-UHFFFAOYSA-N 0 1 284.388 2.619 20 30 CFEDMN C#CCCN(CCOC)Cc1c(C)nn(C(C)C)c1C ZINC000895470994 618598461 /nfs/dbraw/zinc/59/84/61/618598461.db2.gz GHMGDRZNCODFKY-UHFFFAOYSA-N 0 1 277.412 2.553 20 30 CFEDMN Cc1ncc(CC(=O)[C@H](C#N)c2nc3cccc(C)c3[nH]2)o1 ZINC000892703737 618720900 /nfs/dbraw/zinc/72/09/00/618720900.db2.gz KTVVEHBZZZKIEV-LBPRGKRZSA-N 0 1 294.314 2.587 20 30 CFEDMN C#CCOCCSc1nc2ccc(Cl)cc2[nH]1 ZINC000853012096 618786833 /nfs/dbraw/zinc/78/68/33/618786833.db2.gz UEYLLPKGPCSVSG-UHFFFAOYSA-N 0 1 266.753 2.958 20 30 CFEDMN C=C(C)COCCN[C@H]1CCc2c1nccc2Cl ZINC000925530003 618882129 /nfs/dbraw/zinc/88/21/29/618882129.db2.gz ALXHPUAFJKXIHU-ZDUSSCGKSA-N 0 1 266.772 2.905 20 30 CFEDMN C=CCC[N@H+]1CCC[C@@H](NC(=O)c2occ3c2CCC3)C1 ZINC001008060132 618911082 /nfs/dbraw/zinc/91/10/82/618911082.db2.gz YOTCCWQQQWBDBH-CQSZACIVSA-N 0 1 288.391 2.539 20 30 CFEDMN C#CCCN1CCN(Cc2ccccc2OC(C)C)CC1 ZINC000776592216 618932838 /nfs/dbraw/zinc/93/28/38/618932838.db2.gz COPLXMQURIUVAI-UHFFFAOYSA-N 0 1 286.419 2.615 20 30 CFEDMN C=CC[C@@H](CO)CN[C@H]1COCc2cccc(Cl)c21 ZINC000925694854 618942682 /nfs/dbraw/zinc/94/26/82/618942682.db2.gz GKNANZKMEODDPN-RISCZKNCSA-N 0 1 281.783 2.686 20 30 CFEDMN C=CCN1CCC[C@@H](NC(=O)[C@H]2[C@@H]3CCCCCC[C@@H]32)C1 ZINC001008651813 618955346 /nfs/dbraw/zinc/95/53/46/618955346.db2.gz ITCWECQVRFLJGT-NCOADZHNSA-N 0 1 290.451 2.969 20 30 CFEDMN C=CCN1CCC[C@H](NC(=O)Cc2ccc(C)c(C)c2)C1 ZINC001009430270 618993343 /nfs/dbraw/zinc/99/33/43/618993343.db2.gz GHQBMKNTDXZTQE-KRWDZBQOSA-N 0 1 286.419 2.613 20 30 CFEDMN CC1(C#N)CCN(Cc2cccc3[nH]c(=O)oc32)CC1 ZINC000893471769 619010869 /nfs/dbraw/zinc/01/08/69/619010869.db2.gz WXZKZBWYYFXAGH-UHFFFAOYSA-N 0 1 271.320 2.659 20 30 CFEDMN C#C[C@H](NCc1cc(C)nc2c1CCCC2)[C@H]1CCCO1 ZINC000893676870 619153629 /nfs/dbraw/zinc/15/36/29/619153629.db2.gz PCYMDSUOWKECRF-FUHWJXTLSA-N 0 1 284.403 2.539 20 30 CFEDMN Cc1cc(CN2CCC[C@H]2c2ccnn2C)ccc1C#N ZINC000932265804 619226823 /nfs/dbraw/zinc/22/68/23/619226823.db2.gz TZONHTKYKULVSE-KRWDZBQOSA-N 0 1 280.375 2.937 20 30 CFEDMN N#C[C@@H](C(=O)NC1CCCCC1)C(=O)[C@@H]1CC12CCCC2 ZINC000747481417 619252167 /nfs/dbraw/zinc/25/21/67/619252167.db2.gz ZOMBBXCJBIHNOA-KGLIPLIRSA-N 0 1 288.391 2.724 20 30 CFEDMN C=CC[C@@H](N[C@H](C)c1ccnnc1)c1ccncc1 ZINC000925075862 619422234 /nfs/dbraw/zinc/42/22/34/619422234.db2.gz SASXZKAHTJVBOG-IUODEOHRSA-N 0 1 254.337 2.840 20 30 CFEDMN C#C[C@@H](N[C@H]1COC2(CCC2)C1)c1ccc(F)cc1 ZINC000894574355 619422360 /nfs/dbraw/zinc/42/23/60/619422360.db2.gz DGLNORKRPREBAK-HUUCEWRRSA-N 0 1 259.324 2.801 20 30 CFEDMN CN(Cc1csc(C#N)c1)C[C@H](O)Cc1ccccc1 ZINC000894606550 619426618 /nfs/dbraw/zinc/42/66/18/619426618.db2.gz YBRYATUTWMHKSM-OAHLLOKOSA-N 0 1 286.400 2.655 20 30 CFEDMN CN(Cc1ncc(Br)cc1O)CC(C)(C)C#N ZINC000894608808 619427011 /nfs/dbraw/zinc/42/70/11/619427011.db2.gz ACANZFKBHGZXPH-UHFFFAOYSA-N 0 1 298.184 2.531 20 30 CFEDMN C#CCOc1ccc(CNCc2cn(C)nc2C2CC2)cc1 ZINC000894736503 619452981 /nfs/dbraw/zinc/45/29/81/619452981.db2.gz KCMPWLNPMJSODX-UHFFFAOYSA-N 0 1 295.386 2.599 20 30 CFEDMN C#C[C@H](N[C@H]1CCCOC1)c1ccc(Br)cc1 ZINC000894870791 619492683 /nfs/dbraw/zinc/49/26/83/619492683.db2.gz PKRPSVZMNSBLQD-KBPBESRZSA-N 0 1 294.192 2.892 20 30 CFEDMN CC[C@@H](C)CON=Cc1cc(-c2cccnc2)[nH]n1 ZINC000793159340 619533034 /nfs/dbraw/zinc/53/30/34/619533034.db2.gz NQVBRMFOEOSUSO-LLVKDONJSA-N 0 1 258.325 2.868 20 30 CFEDMN CC[C@@H](C)CON=Cc1cc(O)ccc1[N+](=O)[O-] ZINC000793160969 619533577 /nfs/dbraw/zinc/53/35/77/619533577.db2.gz YOVDSJMLTUHZLT-SECBINFHSA-N 0 1 252.270 2.697 20 30 CFEDMN Clc1cccc(NN=Cc2cccc3c2OCO3)n1 ZINC000793162003 619533959 /nfs/dbraw/zinc/53/39/59/619533959.db2.gz OOXDLCDPJUIAKA-UHFFFAOYSA-N 0 1 275.695 2.910 20 30 CFEDMN C#CCC1(O)CCN(Cc2cc(C)cc(Cl)c2)CC1 ZINC000895670516 619582482 /nfs/dbraw/zinc/58/24/82/619582482.db2.gz TVKOICXSWMBWRM-UHFFFAOYSA-N 0 1 277.795 2.999 20 30 CFEDMN C#CCN1CCC(Nc2nccc(C)c2Cl)CC1 ZINC000895808045 619612375 /nfs/dbraw/zinc/61/23/75/619612375.db2.gz HOENZEPCSDUBFP-UHFFFAOYSA-N 0 1 263.772 2.553 20 30 CFEDMN C#CCN1CCC(Nc2nccc3sccc32)CC1 ZINC000895806932 619612450 /nfs/dbraw/zinc/61/24/50/619612450.db2.gz FRCWXGJFIMVFIT-UHFFFAOYSA-N 0 1 271.389 2.806 20 30 CFEDMN C#CCN1CCC(Nc2ccc3ccc(F)cc3n2)CC1 ZINC000895808224 619612514 /nfs/dbraw/zinc/61/25/14/619612514.db2.gz DHLWEGVZZFQRFR-UHFFFAOYSA-N 0 1 283.350 2.883 20 30 CFEDMN N#Cc1cnc(Cl)c(CN2CC[C@H]([C@@H]3CCCO3)C2)c1 ZINC000895844724 619618300 /nfs/dbraw/zinc/61/83/00/619618300.db2.gz OMCRGCDLWOQABN-JSGCOSHPSA-N 0 1 291.782 2.608 20 30 CFEDMN C=CCC1(O)CC[NH+](Cc2cc(Cl)ccc2[O-])CC1 ZINC000895835734 619620064 /nfs/dbraw/zinc/62/00/64/619620064.db2.gz NCSHHIJHTNFYEY-UHFFFAOYSA-N 0 1 281.783 2.949 20 30 CFEDMN C=CCC1(O)CCN(Cc2ccc(OC)cc2OC)CC1 ZINC000895836061 619620342 /nfs/dbraw/zinc/62/03/42/619620342.db2.gz VOLHBVABXGETJO-UHFFFAOYSA-N 0 1 291.391 2.607 20 30 CFEDMN N#Cc1ccc2c(c1)C[C@H](NCc1nnc(C3CC3)s1)C2 ZINC000895861430 619620673 /nfs/dbraw/zinc/62/06/73/619620673.db2.gz PIEQAUMHLCMXQL-CQSZACIVSA-N 0 1 296.399 2.544 20 30 CFEDMN N#Cc1ccc(O)c(NC(=O)C[C@H]2CCC3(CCC3)O2)c1 ZINC000896821861 619832791 /nfs/dbraw/zinc/83/27/91/619832791.db2.gz WPUMMANTYMFIGE-GFCCVEGCSA-N 0 1 286.331 2.694 20 30 CFEDMN CC#CC[N@H+](C)Cc1c[nH]nc1-c1cccc(OC)c1 ZINC000897166282 619942551 /nfs/dbraw/zinc/94/25/51/619942551.db2.gz LLYCKINRPXGGEW-UHFFFAOYSA-N 0 1 269.348 2.540 20 30 CFEDMN CC#CCN(C)Cc1c[nH]nc1-c1cccc(OC)c1 ZINC000897166282 619942552 /nfs/dbraw/zinc/94/25/52/619942552.db2.gz LLYCKINRPXGGEW-UHFFFAOYSA-N 0 1 269.348 2.540 20 30 CFEDMN C#CCN1CCC(NC(=O)C[C@H](C)CC(C)(C)C)CC1 ZINC000928657514 619945364 /nfs/dbraw/zinc/94/53/64/619945364.db2.gz LRYKRSVWIYPEGK-AWEZNQCLSA-N 0 1 278.440 2.663 20 30 CFEDMN C=C(Cl)CN(C)C1CCN(C(=O)CC2CCC2)CC1 ZINC000985351475 619963208 /nfs/dbraw/zinc/96/32/08/619963208.db2.gz FDJCCPZKGKOWMX-UHFFFAOYSA-N 0 1 284.831 2.852 20 30 CFEDMN CCc1onc(C)c1CN[C@@H](C)CC1(C#N)CCOCC1 ZINC000897336617 619999744 /nfs/dbraw/zinc/99/97/44/619999744.db2.gz JDFKKJRXCQLKNJ-LBPRGKRZSA-N 0 1 291.395 2.734 20 30 CFEDMN C=C(Cl)CN(C)C1CCN(C(=O)[C@H]2C[C@H]3C[C@H]3C2)CC1 ZINC000985595098 620010218 /nfs/dbraw/zinc/01/02/18/620010218.db2.gz UDUCIHVSAAQCKY-WDNDVIMCSA-N 0 1 296.842 2.708 20 30 CFEDMN C=C(Cl)CN[C@@H]1CCN(C(=O)C2CCCC2)[C@@H]1C ZINC000985871251 620046434 /nfs/dbraw/zinc/04/64/34/620046434.db2.gz RLTHMJFNPBRMAN-DGCLKSJQSA-N 0 1 270.804 2.508 20 30 CFEDMN C=C(Cl)CN[C@@H]1CCN(C(=O)c2occc2C)[C@@H]1C ZINC000985979818 620055864 /nfs/dbraw/zinc/05/58/64/620055864.db2.gz GLHPSZHWHCDELH-VXGBXAGGSA-N 0 1 282.771 2.533 20 30 CFEDMN C=C(Cl)CN[C@@H]1CCN(C(=O)C(C)=C2CCC2)[C@@H]1C ZINC000986266167 620077726 /nfs/dbraw/zinc/07/77/26/620077726.db2.gz LKBKZDJGXDLMCK-TZMCWYRMSA-N 0 1 282.815 2.818 20 30 CFEDMN C=C(Cl)CN[C@H]1CCN(C(=O)C2C=CC=CC=C2)[C@H]1C ZINC000986315051 620079182 /nfs/dbraw/zinc/07/91/82/620079182.db2.gz HLBSIHQWRXLDMC-ZFWWWQNUSA-N 0 1 292.810 2.616 20 30 CFEDMN C=C(Cl)CN[C@H]1CCN(C(=O)C2(F)CCCC2)[C@@H]1C ZINC000986444913 620081822 /nfs/dbraw/zinc/08/18/22/620081822.db2.gz FXFQPAUTZUKREQ-NEPJUHHUSA-N 0 1 288.794 2.600 20 30 CFEDMN C=C(Cl)CN[C@@H]1CCN(C(=O)C2(F)CCCC2)[C@H]1C ZINC000986444914 620081847 /nfs/dbraw/zinc/08/18/47/620081847.db2.gz FXFQPAUTZUKREQ-NWDGAFQWSA-N 0 1 288.794 2.600 20 30 CFEDMN C=C(Cl)CN[C@@H]1CCN(C(=O)CC2(C)CC2)[C@@H]1C ZINC000986579489 620091291 /nfs/dbraw/zinc/09/12/91/620091291.db2.gz CZXPSMAONGHVNP-VXGBXAGGSA-N 0 1 270.804 2.508 20 30 CFEDMN C=CC[C@@H]1CCN(C(=O)c2n[nH]c(C)c2Br)C1 ZINC000862542686 620114882 /nfs/dbraw/zinc/11/48/82/620114882.db2.gz XCZSQBWJKFGLOP-SECBINFHSA-N 0 1 298.184 2.519 20 30 CFEDMN C=C(Cl)CN[C@@H]1C[C@@H](C)N(C(=O)/C=C/c2ccco2)C1 ZINC000987846129 620156900 /nfs/dbraw/zinc/15/69/00/620156900.db2.gz VZERGZQIXPZREB-FBVTZJDUSA-N 0 1 294.782 2.624 20 30 CFEDMN CC(C)=CC(=O)N1C[C@H](NCc2ccccc2C#N)C[C@@H]1C ZINC000987866842 620157992 /nfs/dbraw/zinc/15/79/92/620157992.db2.gz MBEOLOCFKNAGPX-WMLDXEAASA-N 0 1 297.402 2.603 20 30 CFEDMN C=C(Cl)CN[C@H]1C[C@@H](C)N(C(=O)c2cc(C)oc2C)C1 ZINC000988061573 620161136 /nfs/dbraw/zinc/16/11/36/620161136.db2.gz XYCLGFKTKFWQIL-MFKMUULPSA-N 0 1 296.798 2.842 20 30 CFEDMN C/C=C(\C)C(=O)N1C[C@H](NCc2ccccc2C#N)C[C@H]1C ZINC000988511962 620196447 /nfs/dbraw/zinc/19/64/47/620196447.db2.gz KRCIUPWIRAYEAN-UBRYLSEHSA-N 0 1 297.402 2.603 20 30 CFEDMN C=C(Cl)CN[C@@H]1C[C@@H](C)N(C(=O)CCC2CCC2)C1 ZINC000988516697 620197107 /nfs/dbraw/zinc/19/71/07/620197107.db2.gz YZXLPNDULMMLNB-TZMCWYRMSA-N 0 1 284.831 2.898 20 30 CFEDMN C#CCOCCC(=O)Nc1ccc2nc(C(C)(C)C)[nH]c2c1 ZINC000179235354 620216493 /nfs/dbraw/zinc/21/64/93/620216493.db2.gz KTIIRDYBYLBOBS-UHFFFAOYSA-N 0 1 299.374 2.839 20 30 CFEDMN C=C(Cl)CN[C@H]1C[C@H](C)N(C(=O)C2CC(C)(C)C2)C1 ZINC000988772508 620223068 /nfs/dbraw/zinc/22/30/68/620223068.db2.gz RVNDWSBYAQAUHZ-AAEUAGOBSA-N 0 1 284.831 2.754 20 30 CFEDMN C=C(Cl)CN[C@@H]1C[C@H](C)N(C(=O)C(C)=C2CCC2)C1 ZINC000988817031 620225357 /nfs/dbraw/zinc/22/53/57/620225357.db2.gz DUXHRNWYENUKNE-SMDDNHRTSA-N 0 1 282.815 2.818 20 30 CFEDMN N#Cc1ccc([C@H]2CN(C[C@@H]3CCSC3)CCO2)cc1 ZINC000897595663 620254676 /nfs/dbraw/zinc/25/46/76/620254676.db2.gz FGYCRRCAAZROAS-GOEBONIOSA-N 0 1 288.416 2.685 20 30 CFEDMN Cn1nc(CN[C@H]2CCC[C@@H](C#N)C2)cc1C(F)(F)F ZINC000898021503 620324327 /nfs/dbraw/zinc/32/43/27/620324327.db2.gz JGIVLJUIPPDMRL-ZJUUUORDSA-N 0 1 286.301 2.611 20 30 CFEDMN COC(=O)[C@H](CNCc1ccc(C#N)o1)CC1CCCC1 ZINC000898344166 620373640 /nfs/dbraw/zinc/37/36/40/620373640.db2.gz CWHILHHXTOWBIY-ZDUSSCGKSA-N 0 1 290.363 2.610 20 30 CFEDMN C=CCN1CCCN(C(=O)[C@H]2CC[C@H](C)CC2)CC1 ZINC000989512579 620380136 /nfs/dbraw/zinc/38/01/36/620380136.db2.gz ONGXRAIFRKHPFX-SHTZXODSSA-N 0 1 264.413 2.533 20 30 CFEDMN C=C(C)CN1CCCN(C(=O)Cc2ccc(C)s2)CC1 ZINC000989732369 620388365 /nfs/dbraw/zinc/38/83/65/620388365.db2.gz PNIIZDZKGNTCDF-UHFFFAOYSA-N 0 1 292.448 2.709 20 30 CFEDMN C=CCN1CCCN(C(=O)[C@H]2C[C@H](C)C[C@H](C)C2)CC1 ZINC000989754361 620391083 /nfs/dbraw/zinc/39/10/83/620391083.db2.gz IWYCOCJFWIBHCU-ZSHCYNCHSA-N 0 1 278.440 2.779 20 30 CFEDMN C=CCCC(=O)OC[C@@H]1CCC[N@H+]1Cc1ccco1 ZINC000089489069 620407332 /nfs/dbraw/zinc/40/73/32/620407332.db2.gz BVDVYJWNJJDBHH-ZDUSSCGKSA-N 0 1 263.337 2.753 20 30 CFEDMN C=CCCC(=O)OC[C@@H]1CCCN1Cc1ccco1 ZINC000089489069 620407335 /nfs/dbraw/zinc/40/73/35/620407335.db2.gz BVDVYJWNJJDBHH-ZDUSSCGKSA-N 0 1 263.337 2.753 20 30 CFEDMN CC(C)N1CCC[C@H]1C(=O)OCCc1ccc(C#N)cc1 ZINC000923891935 620445031 /nfs/dbraw/zinc/44/50/31/620445031.db2.gz RZZYAVNYHKZWGH-INIZCTEOSA-N 0 1 286.375 2.517 20 30 CFEDMN C#CC[C@H]1C(C)=NN(c2ncnc3sc(C)c(C)c32)C1=O ZINC000899346212 620547379 /nfs/dbraw/zinc/54/73/79/620547379.db2.gz GCRZZJLFAVEPRV-NSHDSACASA-N 0 1 298.371 2.670 20 30 CFEDMN Cc1[nH]n(C2CCC(F)(F)CC2)c(=O)c1CCC#N ZINC000899366954 620555314 /nfs/dbraw/zinc/55/53/14/620555314.db2.gz TUXHJCLWMNSWSJ-NSHDSACASA-N 0 1 269.295 2.702 20 30 CFEDMN C=CCOc1ccc(C[N@H+](CC=C)CC(=O)[O-])cc1Cl ZINC000901587461 620863245 /nfs/dbraw/zinc/86/32/45/620863245.db2.gz WBWAGQOFAVKERY-UHFFFAOYSA-N 0 1 295.766 2.977 20 30 CFEDMN C=CCOc1ccccc1C[N@@H+](CCC(=O)[O-])CC1CC1 ZINC000901612893 620873698 /nfs/dbraw/zinc/87/36/98/620873698.db2.gz JWFBERQCODGLFL-UHFFFAOYSA-N 0 1 289.375 2.938 20 30 CFEDMN C#CCCCCCC[N@@H+]1C[C@@H]2CCC[C@@H]2[C@H]1C(=O)[O-] ZINC000902012899 620958042 /nfs/dbraw/zinc/95/80/42/620958042.db2.gz SCWRLCYNXLIEID-KKUMJFAQSA-N 0 1 263.381 2.755 20 30 CFEDMN N#Cc1ccc2nc(NCc3cnn(C4CCC4)c3)[nH]c2c1 ZINC000902155970 620988796 /nfs/dbraw/zinc/98/87/96/620988796.db2.gz GNFKQFLCMKRRJE-UHFFFAOYSA-N 0 1 292.346 2.968 20 30 CFEDMN C#CC[N@H+](CCC(C)(C)C(=O)[O-])Cc1ccc(F)cc1 ZINC000902187425 620991175 /nfs/dbraw/zinc/99/11/75/620991175.db2.gz FRCXIWWUNZRCOF-UHFFFAOYSA-N 0 1 277.339 2.762 20 30 CFEDMN C=CC[C@H]1CC[N@H+](Cc2ccc(/C=C/C(=O)[O-])o2)C1 ZINC000902491208 621102588 /nfs/dbraw/zinc/10/25/88/621102588.db2.gz XYSAODRIKKYCHJ-SYTKJHMZSA-N 0 1 261.321 2.775 20 30 CFEDMN C=CC[C@H]1CC[N@H+](Cc2ccc(/C=C\C(=O)[O-])o2)C1 ZINC000902491206 621102932 /nfs/dbraw/zinc/10/29/32/621102932.db2.gz XYSAODRIKKYCHJ-DGMVEKRQSA-N 0 1 261.321 2.775 20 30 CFEDMN C[C@@H](NCCOc1ccccc1F)c1cc(C#N)ccn1 ZINC000902725270 621158958 /nfs/dbraw/zinc/15/89/58/621158958.db2.gz TXIGECARJLLVFF-GFCCVEGCSA-N 0 1 285.322 2.822 20 30 CFEDMN C[C@@H](N[C@@H](C)CC(F)(F)F)c1cc(C#N)ccn1 ZINC000902958356 621214188 /nfs/dbraw/zinc/21/41/88/621214188.db2.gz ZJVMSEGLJWXEST-DTWKUNHWSA-N 0 1 257.259 2.945 20 30 CFEDMN CC[C@H](NCc1cc(C)nn1C)c1cccc(C#N)c1 ZINC000902982736 621217274 /nfs/dbraw/zinc/21/72/74/621217274.db2.gz OIPZAHURAZWFNC-INIZCTEOSA-N 0 1 268.364 2.841 20 30 CFEDMN N#CC1(CN[C@H](c2nnc[nH]2)c2ccc(F)cc2)CCCC1 ZINC000903109613 621256449 /nfs/dbraw/zinc/25/64/49/621256449.db2.gz SQIVPWRMSBHANT-AWEZNQCLSA-N 0 1 299.353 2.707 20 30 CFEDMN C[C@H](NCC(C)(C)C#N)C1(NC(=O)OC(C)(C)C)CC1 ZINC000903220702 621292665 /nfs/dbraw/zinc/29/26/65/621292665.db2.gz NJMZTTUXXGXCNC-NSHDSACASA-N 0 1 281.400 2.572 20 30 CFEDMN Cc1cc(C#N)cc(C)c1C[N@H+]1CC[C@@H](C(=O)[O-])[C@H](C)C1 ZINC000903408170 621363379 /nfs/dbraw/zinc/36/33/79/621363379.db2.gz FUYLHDCRPLCPSH-UKRRQHHQSA-N 0 1 286.375 2.718 20 30 CFEDMN CC[C@H](C(=O)[O-])[N@@H+](C)Cc1cc(Cl)cc(C#N)c1 ZINC000903408498 621363938 /nfs/dbraw/zinc/36/39/38/621363938.db2.gz JVXUNXSNDPHQHN-GFCCVEGCSA-N 0 1 266.728 2.507 20 30 CFEDMN C[C@H]1CC[N@@H+](Cc2cc(Cl)cc(C#N)c2)C[C@H]1C(=O)[O-] ZINC000903409630 621364760 /nfs/dbraw/zinc/36/47/60/621364760.db2.gz WSWYZCJWOJJBPM-IINYFYTJSA-N 0 1 292.766 2.754 20 30 CFEDMN C=CC[N@H+](CCc1ccccc1Br)CC(=O)[O-] ZINC000903595209 621403580 /nfs/dbraw/zinc/40/35/80/621403580.db2.gz CDDWUFJRNNZVGD-UHFFFAOYSA-N 0 1 298.180 2.564 20 30 CFEDMN C=CC[N@H+](CC(=O)[O-])C[C@@H]1CCC[C@@H](c2ccccc2)O1 ZINC000903595236 621403617 /nfs/dbraw/zinc/40/36/17/621403617.db2.gz CSSGMQHPUWGHBE-HOTGVXAUSA-N 0 1 289.375 2.869 20 30 CFEDMN C=CC[C@@H](C)[N@H+]1CC[C@H](c2ncc(C(=O)[O-])s2)C1 ZINC000903929062 621475670 /nfs/dbraw/zinc/47/56/70/621475670.db2.gz VJYLNMDLOMKIEP-ZJUUUORDSA-N 0 1 266.366 2.595 20 30 CFEDMN C=CCCC[N@H+]1CCOc2cc(C(=O)[O-])ccc2C1 ZINC000903957166 621478651 /nfs/dbraw/zinc/47/86/51/621478651.db2.gz LXTWHDVQJLUXQJ-UHFFFAOYSA-N 0 1 261.321 2.545 20 30 CFEDMN C=CC(C)(C)CCCNC(=O)CCCCc1cn[nH]n1 ZINC000832718258 625492933 /nfs/dbraw/zinc/49/29/33/625492933.db2.gz DBARWEOLZWYQGV-UHFFFAOYSA-N 0 1 278.400 2.626 20 30 CFEDMN Cc1ccc(C#N)cc1-c1nc([C@H](N)C(C)C)no1 ZINC000904499020 621604775 /nfs/dbraw/zinc/60/47/75/621604775.db2.gz ACHAKLKUVYHYMI-GFCCVEGCSA-N 0 1 256.309 2.573 20 30 CFEDMN N#Cc1sccc1-c1cnc([C@H]2CCCCN2)nc1 ZINC000904895118 621673551 /nfs/dbraw/zinc/67/35/51/621673551.db2.gz NJDGJIMOZWSINE-GFCCVEGCSA-N 0 1 270.361 2.891 20 30 CFEDMN CCn1nnc(C)c1/C=C/C(=O)c1cccc(CN(C)C)c1 ZINC000905077882 621689791 /nfs/dbraw/zinc/68/97/91/621689791.db2.gz IHZMFTRBUFNAFO-MDZDMXLPSA-N 0 1 298.390 2.564 20 30 CFEDMN CC1/C(=C/c2cnc(C(C)(C)C)s2)C(=O)c2ncnn21 ZINC000905080882 621690982 /nfs/dbraw/zinc/69/09/82/621690982.db2.gz MYXGSWFDEONVOP-AMAGOZFHSA-N 0 1 288.376 2.873 20 30 CFEDMN CC1/C(=C/c2cnc(C3CCC3)s2)C(=O)c2ncnn21 ZINC000905087042 621692612 /nfs/dbraw/zinc/69/26/12/621692612.db2.gz VFIDJDHIGPEABG-SOUAVXJDSA-N 0 1 286.360 2.843 20 30 CFEDMN CC(C)(C#N)C[C@H](O)CN[C@H]1c2ccccc2CC[C@H]1F ZINC000905453487 621775213 /nfs/dbraw/zinc/77/52/13/621775213.db2.gz QABPKNKDVYVPOU-IMJJTQAJSA-N 0 1 290.382 2.902 20 30 CFEDMN CC(C)(C#N)C[C@H](O)CN[C@@H]1c2ccccc2CC[C@H]1F ZINC000905453488 621775713 /nfs/dbraw/zinc/77/57/13/621775713.db2.gz QABPKNKDVYVPOU-NUEKZKHPSA-N 0 1 290.382 2.902 20 30 CFEDMN CN(Cc1cn(CCCC(C)(C)C#N)nn1)C(C)(C)C ZINC000905812754 621868223 /nfs/dbraw/zinc/86/82/23/621868223.db2.gz JNKUPPPOXSAZDQ-UHFFFAOYSA-N 0 1 277.416 2.838 20 30 CFEDMN C=C(C)CN(CC)C(=O)c1n[nH]c(C)c1C(F)(F)F ZINC000906076902 621929415 /nfs/dbraw/zinc/92/94/15/621929415.db2.gz BDCZZRLSUDWXIN-UHFFFAOYSA-N 0 1 275.274 2.775 20 30 CFEDMN Cc1cc(C[C@@H](C)NC(=O)c2cc(C)c(C#N)c(C)c2)n[nH]1 ZINC000907054692 622080950 /nfs/dbraw/zinc/08/09/50/622080950.db2.gz HUSWGKUQQWUSSG-GFCCVEGCSA-N 0 1 296.374 2.568 20 30 CFEDMN C=C(C)[C@@H]1OCC[C@@H]1C(=O)Nc1cccc(Cl)c1O ZINC000907143651 622090780 /nfs/dbraw/zinc/09/07/80/622090780.db2.gz CPUINWCIYNKDCG-ZANVPECISA-N 0 1 281.739 2.965 20 30 CFEDMN C=C(C)[C@@H]1OCC[C@@H]1C(=O)Nc1cc(C(C)=O)ccc1O ZINC000907232344 622101691 /nfs/dbraw/zinc/10/16/91/622101691.db2.gz ABOYZGFNMGCLKO-WFASDCNBSA-N 0 1 289.331 2.515 20 30 CFEDMN N#CCCC[C@@H](NC(=O)c1[nH]ncc1F)c1ccccc1 ZINC000908382513 622223945 /nfs/dbraw/zinc/22/39/45/622223945.db2.gz JPIDMXDCPUWODS-CYBMUJFWSA-N 0 1 286.310 2.714 20 30 CFEDMN Clc1cc(N=NC2CN3CCC2CC3)cc(Cl)n1 ZINC000819828625 622564912 /nfs/dbraw/zinc/56/49/12/622564912.db2.gz KKBCADWLXUJREV-UHFFFAOYSA-N 0 1 285.178 2.882 20 30 CFEDMN CCCCCNC(=O)C(C#N)C(=O)[C@@H]1CCCC[C@H]1C ZINC000819942309 622578594 /nfs/dbraw/zinc/57/85/94/622578594.db2.gz ZAMIVWSIRYBXJJ-MGPQQGTHSA-N 0 1 278.396 2.828 20 30 CFEDMN C#CC[C@@H](CO)NCc1ccc(-c2c(F)cccc2F)o1 ZINC000821206440 622868354 /nfs/dbraw/zinc/86/83/54/622868354.db2.gz DJSUTVPNAQDDQY-NSHDSACASA-N 0 1 291.297 2.699 20 30 CFEDMN CC(C)C#CC(=O)NCC(C)(C)N1CCc2ccccc2C1 ZINC000821262156 622880544 /nfs/dbraw/zinc/88/05/44/622880544.db2.gz GITBVQMBAOCBOU-UHFFFAOYSA-N 0 1 298.430 2.599 20 30 CFEDMN CC(C)C[C@@H](C(=O)Nc1cc(C#N)ccc1O)n1ccnc1 ZINC000821349180 622901789 /nfs/dbraw/zinc/90/17/89/622901789.db2.gz MSRAQNPUCCMRFS-AWEZNQCLSA-N 0 1 298.346 2.686 20 30 CFEDMN N#Cc1ccc(O)c(NC(=O)Cc2csc(C3CC3)n2)c1 ZINC000821349182 622902139 /nfs/dbraw/zinc/90/21/39/622902139.db2.gz MTGNMRSVJKVLIR-UHFFFAOYSA-N 0 1 299.355 2.779 20 30 CFEDMN C=CCCC[C@H](C(=O)NCC#CCN(C)C)c1ccccc1 ZINC000913525211 622910253 /nfs/dbraw/zinc/91/02/53/622910253.db2.gz NSRUBSDXBFZIFM-SFHVURJKSA-N 0 1 298.430 2.808 20 30 CFEDMN Cc1cccc2c1[C@@H](C)C[C@H]2CC(=O)NCC#CCN(C)C ZINC000913522077 622910748 /nfs/dbraw/zinc/91/07/48/622910748.db2.gz YRARWXBVODFASS-HOTGVXAUSA-N 0 1 298.430 2.657 20 30 CFEDMN CC[C@H](CC(=O)NCC#CCN(C)C)c1ccc(C)cc1 ZINC000913518876 622911119 /nfs/dbraw/zinc/91/11/19/622911119.db2.gz DSXBKHBHHUOEKP-MRXNPFEDSA-N 0 1 286.419 2.560 20 30 CFEDMN C[C@@H]1CC(NC(=O)c2sccc2C(F)F)=NO1 ZINC000821394678 622912432 /nfs/dbraw/zinc/91/24/32/622912432.db2.gz LVWVCRNWBCQMEK-RXMQYKEDSA-N 0 1 260.265 2.538 20 30 CFEDMN N#Cc1csc(/C=C/C(=O)c2cc(O)ccc2O)c1 ZINC000156646635 622952963 /nfs/dbraw/zinc/95/29/63/622952963.db2.gz WHMMYODGOYEQQV-DUXPYHPUSA-N 0 1 271.297 2.927 20 30 CFEDMN CCCCCCCC(=O)N1CCN(CC)[C@@H](C)C1 ZINC000165021598 622978306 /nfs/dbraw/zinc/97/83/06/622978306.db2.gz DZHCBLNIQOIQNY-AWEZNQCLSA-N 0 1 254.418 2.900 20 30 CFEDMN N#CC1(C(=O)Nc2ccc(F)c(F)c2O)CCSCC1 ZINC000822310547 623077725 /nfs/dbraw/zinc/07/77/25/623077725.db2.gz QYWMJUOQGZXCPD-UHFFFAOYSA-N 0 1 298.314 2.646 20 30 CFEDMN CCCCCCCN(C1CC1)[C@H]1CCS(=O)(=O)C1 ZINC000158058788 623088159 /nfs/dbraw/zinc/08/81/59/623088159.db2.gz KQALRGJJBMAJQB-AWEZNQCLSA-N 0 1 273.442 2.608 20 30 CFEDMN C=CCCc1ccccc1NC(=O)CN1CCCC1 ZINC000822709261 623157625 /nfs/dbraw/zinc/15/76/25/623157625.db2.gz RWFMYDLDKXBXNL-UHFFFAOYSA-N 0 1 258.365 2.840 20 30 CFEDMN CCCCCNC(=O)C(C#N)C(=O)[C@H](SCC)C(C)C ZINC000171363964 623218746 /nfs/dbraw/zinc/21/87/46/623218746.db2.gz YUCMBSQOSYLREX-TZMCWYRMSA-N 0 1 298.452 2.779 20 30 CFEDMN N#CC(C(=O)CSC[C@H]1CCCCO1)c1ccccn1 ZINC000171364307 623219536 /nfs/dbraw/zinc/21/95/36/623219536.db2.gz STRIWTKEWCDQPO-OLZOCXBDSA-N 0 1 290.388 2.560 20 30 CFEDMN Cc1noc(C)c1CNCc1ccc(O[C@H](C)C#N)cc1 ZINC000171563353 623229802 /nfs/dbraw/zinc/22/98/02/623229802.db2.gz DIFRNAROLOYTMI-LLVKDONJSA-N 0 1 285.347 2.872 20 30 CFEDMN C[C@H](C#N)Oc1ccc(CNCc2cccc(O)c2)cc1 ZINC000171563626 623230536 /nfs/dbraw/zinc/23/05/36/623230536.db2.gz UJGLLYVJLDKMGF-CYBMUJFWSA-N 0 1 282.343 2.973 20 30 CFEDMN Cc1nn(C)cc1[C@H](C)NCc1ccc(O[C@@H](C)C#N)cc1 ZINC000171764829 623242223 /nfs/dbraw/zinc/24/22/23/623242223.db2.gz VPYNNEWJZFYABW-STQMWFEESA-N 0 1 298.390 2.870 20 30 CFEDMN CC[C@@]1(C(=O)[O-])CCC[N@@H+](Cc2cccc(C#N)c2)C1 ZINC000062877304 623303292 /nfs/dbraw/zinc/30/32/92/623303292.db2.gz VZVASGFHTAGCCY-MRXNPFEDSA-N 0 1 272.348 2.635 20 30 CFEDMN CC(C)NC(=O)C(C#N)C(=O)C1CCCCCCC1 ZINC000173981983 623379201 /nfs/dbraw/zinc/37/92/01/623379201.db2.gz CZDZVSYQZLWSJC-ZDUSSCGKSA-N 0 1 264.369 2.580 20 30 CFEDMN N#Cc1ccc(CNC[C@H](O)c2ccc(Cl)cc2)o1 ZINC000174253836 623405316 /nfs/dbraw/zinc/40/53/16/623405316.db2.gz NVWGVKXPYWQDOV-AWEZNQCLSA-N 0 1 276.723 2.628 20 30 CFEDMN CC#CC[N@H+]1CC[C@]2(NC(=O)[C@H]3CCC3(C)C)CCC[C@@H]12 ZINC000992125228 623462182 /nfs/dbraw/zinc/46/21/82/623462182.db2.gz CTWBGSNAVZBXOC-IIDMSEBBSA-N 0 1 288.435 2.559 20 30 CFEDMN Cc1ccc(C#N)cc1C(=O)N1CCN(C)[C@@H](C(C)(C)C)C1 ZINC000824222062 623471407 /nfs/dbraw/zinc/47/14/07/623471407.db2.gz RUSAQKLSFOUYGC-MRXNPFEDSA-N 0 1 299.418 2.669 20 30 CFEDMN C=CCCCC[C@H](C)N[C@H](C)c1nnnn1C1CC1 ZINC000824281765 623482679 /nfs/dbraw/zinc/48/26/79/623482679.db2.gz JSRATDOFFQUTOB-NWDGAFQWSA-N 0 1 263.389 2.794 20 30 CFEDMN CCCCCNC(=O)C(C#N)C(=O)C[C@H]1CC[C@H](C)C1 ZINC000151545936 623486604 /nfs/dbraw/zinc/48/66/04/623486604.db2.gz PIOBXNKQSZKSIL-MELADBBJSA-N 0 1 278.396 2.828 20 30 CFEDMN C#CCN1CC[C@@]2(NC(=O)c3ccc(C=C)cc3)CCC[C@H]12 ZINC000992284567 623505571 /nfs/dbraw/zinc/50/55/71/623505571.db2.gz OVMGGGARZMEXOL-HKUYNNGSSA-N 0 1 294.398 2.690 20 30 CFEDMN C=CCCCCC[C@H](C)N[C@@H](C(N)=O)c1ccccn1 ZINC000824517414 623515698 /nfs/dbraw/zinc/51/56/98/623515698.db2.gz UPQDSEBZHYSOBM-DZGCQCFKSA-N 0 1 275.396 2.723 20 30 CFEDMN CCC(CC)CC(=O)C(C#N)C(=O)NCc1ccccc1 ZINC000151587201 623533995 /nfs/dbraw/zinc/53/39/95/623533995.db2.gz QKQKYJNRNDKTTO-OAHLLOKOSA-N 0 1 286.375 2.838 20 30 CFEDMN C#CCN(Cc1cnc2n1CCC2)C1CCCCC1 ZINC000824632251 623535519 /nfs/dbraw/zinc/53/55/19/623535519.db2.gz AYUMZHQDFXGIQK-UHFFFAOYSA-N 0 1 257.381 2.597 20 30 CFEDMN CC#CCCCC(=O)N1C[C@@H]2C[C@H]1CN2Cc1ccccc1 ZINC000913686463 623560100 /nfs/dbraw/zinc/56/01/00/623560100.db2.gz WSCLBJQTNVJVGU-ROUUACIJSA-N 0 1 296.414 2.665 20 30 CFEDMN C#CCN1CC[C@]2(NC(=O)c3cccc(C)c3C)CCC[C@H]12 ZINC000992463852 623580212 /nfs/dbraw/zinc/58/02/12/623580212.db2.gz HFMYFHBTVALWJR-PKOBYXMFSA-N 0 1 296.414 2.663 20 30 CFEDMN C#CCCCCCOC(=O)[C@H]1CCCc2[nH]ncc21 ZINC000760269554 623641379 /nfs/dbraw/zinc/64/13/79/623641379.db2.gz XVEWNQKLSUZHAG-LBPRGKRZSA-N 0 1 260.337 2.566 20 30 CFEDMN C#Cc1cccc(CNCc2c(C)nn(CC)c2C)c1 ZINC000825227743 623654316 /nfs/dbraw/zinc/65/43/16/623654316.db2.gz ZMJNPCTYAAZRCM-UHFFFAOYSA-N 0 1 267.376 2.791 20 30 CFEDMN C=CCN1CC[C@H](NC(=O)Cc2cccc(C)c2Cl)C1 ZINC001015241941 623660841 /nfs/dbraw/zinc/66/08/41/623660841.db2.gz BVZVMELMFJIKBK-AWEZNQCLSA-N 0 1 292.810 2.567 20 30 CFEDMN COc1cc(CNC[C@H](C)C#N)c(O)c(C(C)(C)C)c1 ZINC000825502579 623703897 /nfs/dbraw/zinc/70/38/97/623703897.db2.gz YSEMAHCMMVQMIQ-LLVKDONJSA-N 0 1 276.380 2.948 20 30 CFEDMN C=CCN1CC[C@H](NC(=O)c2cnc3ccccc3c2C)C1 ZINC001015313668 623744427 /nfs/dbraw/zinc/74/44/27/623744427.db2.gz NOVWBUPICTWSMW-AWEZNQCLSA-N 0 1 295.386 2.533 20 30 CFEDMN N#Cc1ccc(F)c(CNc2nc(N)nc3c2CCCC3)c1 ZINC000825785280 623754385 /nfs/dbraw/zinc/75/43/85/623754385.db2.gz HWZVWWJXTFNQBN-UHFFFAOYSA-N 0 1 297.337 2.560 20 30 CFEDMN C=CCN1CCC[C@@H](NC(=O)c2ccc(F)cc2)[C@H]1C ZINC000992946332 623814396 /nfs/dbraw/zinc/81/43/96/623814396.db2.gz FCDWKJLOYNFZSR-IUODEOHRSA-N 0 1 276.355 2.594 20 30 CFEDMN C#C[C@H](C)OC(=O)c1ccc(-c2nnc(C3CC3)[nH]2)cc1 ZINC000153010615 623823225 /nfs/dbraw/zinc/82/32/25/623823225.db2.gz KOZSJDYMSYBWPL-JTQLQIEISA-N 0 1 281.315 2.528 20 30 CFEDMN C=C(C)C[N@@H+]1CCC[C@H](NC(=O)c2ccc(F)cc2)[C@@H]1C ZINC000992975667 623824272 /nfs/dbraw/zinc/82/42/72/623824272.db2.gz YHXYTDCGNUCZKE-BBRMVZONSA-N 0 1 290.382 2.985 20 30 CFEDMN C=CC[N@@H+]1CCC[C@H](NC(=O)c2ccccc2F)[C@H]1C ZINC000992980009 623825634 /nfs/dbraw/zinc/82/56/34/623825634.db2.gz HSKIPKRWGBYCFI-DOMZBBRYSA-N 0 1 276.355 2.594 20 30 CFEDMN C=CCN1CCC[C@H](NC(=O)c2ccccc2F)[C@H]1C ZINC000992980009 623825637 /nfs/dbraw/zinc/82/56/37/623825637.db2.gz HSKIPKRWGBYCFI-DOMZBBRYSA-N 0 1 276.355 2.594 20 30 CFEDMN CC#CCN1CCC[C@H](NC(=O)CC2CCCCC2)[C@H]1C ZINC000992988129 623830056 /nfs/dbraw/zinc/83/00/56/623830056.db2.gz VAIKITOKBFCLFU-WBVHZDCISA-N 0 1 290.451 2.949 20 30 CFEDMN C#CC[N@@H+]1CCC[C@@H](NC(=O)CC2CCCCC2)[C@@H]1C ZINC000993006969 623841361 /nfs/dbraw/zinc/84/13/61/623841361.db2.gz VZOUEZSLXAMKCA-GOEBONIOSA-N 0 1 276.424 2.559 20 30 CFEDMN C#CCN1CCC[C@@H](NC(=O)CC2CCCCC2)[C@@H]1C ZINC000993006969 623841367 /nfs/dbraw/zinc/84/13/67/623841367.db2.gz VZOUEZSLXAMKCA-GOEBONIOSA-N 0 1 276.424 2.559 20 30 CFEDMN CC(C)[C@@H]1CC[N@H+]([C@H](C(=O)[O-])c2ccc(C#N)cc2)C1 ZINC000826735195 623861106 /nfs/dbraw/zinc/86/11/06/623861106.db2.gz AVUBJPLGDNPMFE-CABCVRRESA-N 0 1 272.348 2.662 20 30 CFEDMN C=CCN1CCC[C@@H](NC(=O)c2cc(C)oc2C)[C@H]1C ZINC000993049107 623868629 /nfs/dbraw/zinc/86/86/29/623868629.db2.gz PSAZCPGOEJKUPC-IUODEOHRSA-N 0 1 276.380 2.665 20 30 CFEDMN CC(C)C(=O)N[C@H]1CCCN(Cc2ccc(C#N)cc2)[C@@H]1C ZINC000993063461 623882111 /nfs/dbraw/zinc/88/21/11/623882111.db2.gz DQMRCTIXCYDNPD-PBHICJAKSA-N 0 1 299.418 2.683 20 30 CFEDMN C=C(C)CN1CCC[C@@H](NC(=O)c2scnc2C)[C@@H]1C ZINC000993075614 623892035 /nfs/dbraw/zinc/89/20/35/623892035.db2.gz YORWNZRYRJBIPZ-QWHCGFSZSA-N 0 1 293.436 2.610 20 30 CFEDMN CC(C)ON=CC1(CN2CCOCC2)CCCCC1 ZINC000834999956 623922792 /nfs/dbraw/zinc/92/27/92/623922792.db2.gz ITPVDUDUUCIJEY-UHFFFAOYSA-N 0 1 268.401 2.680 20 30 CFEDMN C[C@@H]1CC(N=Nc2ccncn2)CN1Cc1ccccc1 ZINC000835000831 623925097 /nfs/dbraw/zinc/92/50/97/623925097.db2.gz APVURNMDUFXOBK-CYBMUJFWSA-N 0 1 281.363 2.539 20 30 CFEDMN C[C@@H]1CC(N=Nc2ccncn2)CN(Cc2ccccc2)C1 ZINC000835002290 623927017 /nfs/dbraw/zinc/92/70/17/623927017.db2.gz UBOWSMUVRJRFAD-CQSZACIVSA-N 0 1 295.390 2.787 20 30 CFEDMN C=CC[C@H]1CCN(C(=O)c2cc(F)cc(F)c2O)C1 ZINC000827044104 623929623 /nfs/dbraw/zinc/92/96/23/623929623.db2.gz ARSUYGDZLDSCOI-VIFPVBQESA-N 0 1 267.275 2.709 20 30 CFEDMN CC(=NNC(=N)N)c1ccc(-c2ccccc2F)s1 ZINC000915048618 623975010 /nfs/dbraw/zinc/97/50/10/623975010.db2.gz IMVKUFNIKUUKHZ-UHFFFAOYSA-N 0 1 276.340 2.761 20 30 CFEDMN CCC[C@H](C(=O)[C@H](C#N)C(=O)NC1CCCC1)C(C)C ZINC000153450375 623978028 /nfs/dbraw/zinc/97/80/28/623978028.db2.gz FSIJPRRDHKTJRB-KBPBESRZSA-N 0 1 278.396 2.826 20 30 CFEDMN C[C@H](CC#N)C(=O)N[C@H](C)c1nc2ccc(Cl)cc2[nH]1 ZINC000827347321 623991783 /nfs/dbraw/zinc/99/17/83/623991783.db2.gz ONUIPSQSMSKSBB-RKDXNWHRSA-N 0 1 290.754 2.943 20 30 CFEDMN C[C@]1(C#N)CCN(Cc2cccc(Br)c2O)C1 ZINC000827650338 624051453 /nfs/dbraw/zinc/05/14/53/624051453.db2.gz OXNUWGQMROMARV-CYBMUJFWSA-N 0 1 295.180 2.890 20 30 CFEDMN C[C@]1(C#N)CCN(Cc2cc(Cl)c(F)cc2O)C1 ZINC000827650835 624051544 /nfs/dbraw/zinc/05/15/44/624051544.db2.gz VYQIKOQCNURHPF-CYBMUJFWSA-N 0 1 268.719 2.920 20 30 CFEDMN C=C(C)CN1CCC[C@H](NC(=O)c2cc(C)sn2)[C@@H]1C ZINC000993262507 624059290 /nfs/dbraw/zinc/05/92/90/624059290.db2.gz UITCQZWYEDBIDT-STQMWFEESA-N 0 1 293.436 2.610 20 30 CFEDMN C#CCCN(CCOC)Cc1cnc(C(C)C)s1 ZINC000827822650 624102459 /nfs/dbraw/zinc/10/24/59/624102459.db2.gz AZEOLQRQPVDNOU-UHFFFAOYSA-N 0 1 266.410 2.738 20 30 CFEDMN C#CCCN(CCOC)Cc1ccccc1OCC=C ZINC000827818971 624100816 /nfs/dbraw/zinc/10/08/16/624100816.db2.gz YDHIGJCMLDLMGJ-UHFFFAOYSA-N 0 1 273.376 2.723 20 30 CFEDMN C=CCCCC(=O)OCc1cc(O)ccc1[N+](=O)[O-] ZINC000837559547 624105886 /nfs/dbraw/zinc/10/58/86/624105886.db2.gz PKPKOQAAMXRWDD-UHFFFAOYSA-N 0 1 265.265 2.700 20 30 CFEDMN C#CCOc1ccccc1CN[C@@H](c1ccccc1)[C@@H](C)O ZINC000827855833 624111972 /nfs/dbraw/zinc/11/19/72/624111972.db2.gz JGBMKDHCECITGA-DNVCBOLYSA-N 0 1 295.382 2.910 20 30 CFEDMN C=CCN1CCC[C@@H](NC(=O)c2cc(F)ccc2F)[C@@H]1C ZINC000993453578 624146684 /nfs/dbraw/zinc/14/66/84/624146684.db2.gz ZHRLMVIPZINYIN-XHDPSFHLSA-N 0 1 294.345 2.734 20 30 CFEDMN CC#CCN1CCC[C@@H](NC(=O)Cc2ccc(C)cc2)[C@H]1C ZINC000993551745 624151843 /nfs/dbraw/zinc/15/18/43/624151843.db2.gz CVALROAJTHJEIT-SJLPKXTDSA-N 0 1 298.430 2.530 20 30 CFEDMN C=CCN1CCC[C@@H](NC(=O)c2nccc3occc32)[C@H]1C ZINC000993619634 624155477 /nfs/dbraw/zinc/15/54/77/624155477.db2.gz GZRLMTYZICWVAH-TZMCWYRMSA-N 0 1 299.374 2.597 20 30 CFEDMN C=CCN1CCC[C@@H](NC(=O)c2cc(C(C)C)on2)[C@@H]1C ZINC000993670367 624157709 /nfs/dbraw/zinc/15/77/09/624157709.db2.gz SLKOFCYILOKPJM-QWHCGFSZSA-N 0 1 291.395 2.567 20 30 CFEDMN C=CCN1CCC[C@H](NC(=O)C2CC3(CCC3)C2)[C@@H]1C ZINC000993676735 624158264 /nfs/dbraw/zinc/15/82/64/624158264.db2.gz SNGGPWBRAKPYMM-ZFWWWQNUSA-N 0 1 276.424 2.722 20 30 CFEDMN C=CCN1CCC[C@H](NC(=O)C(C)(C)C2CC2)[C@@H]1C ZINC000993691606 624160767 /nfs/dbraw/zinc/16/07/67/624160767.db2.gz HMYPHHPHSRNILD-JSGCOSHPSA-N 0 1 264.413 2.578 20 30 CFEDMN C=CCN1CCC[C@@H](NC(=O)c2coc(C(F)F)c2)[C@@H]1C ZINC000993717641 624161053 /nfs/dbraw/zinc/16/10/53/624161053.db2.gz QQHXPNNOWRYFFM-CMPLNLGQSA-N 0 1 298.333 2.986 20 30 CFEDMN C=C(C)CN1CCC[C@@H](NC(=O)c2csc(C)n2)[C@@H]1C ZINC000993692882 624161979 /nfs/dbraw/zinc/16/19/79/624161979.db2.gz KAINDVCJDLLPHW-WCQYABFASA-N 0 1 293.436 2.610 20 30 CFEDMN C=CCN1CCC[C@H](NC(=O)c2ccoc2C2CC2)[C@H]1C ZINC000993702612 624162261 /nfs/dbraw/zinc/16/22/61/624162261.db2.gz JABHOIOXZDTOQQ-DOMZBBRYSA-N 0 1 288.391 2.926 20 30 CFEDMN CC#CCN1CCC[C@@H](NC(=O)CC2CC(C)(C)C2)[C@H]1C ZINC000993740442 624163729 /nfs/dbraw/zinc/16/37/29/624163729.db2.gz HPFZKRDPIPQSRG-GDBMZVCRSA-N 0 1 290.451 2.805 20 30 CFEDMN C=CCN1CCC[C@@H](NC(=O)c2csc(C)c2)[C@H]1C ZINC000993985321 624177193 /nfs/dbraw/zinc/17/71/93/624177193.db2.gz JDNMDGFCWMEJEV-TZMCWYRMSA-N 0 1 278.421 2.825 20 30 CFEDMN O=[N+]([O-])c1ccccc1NN=C1COc2cc(O)ccc21 ZINC000915933605 624193660 /nfs/dbraw/zinc/19/36/60/624193660.db2.gz DXDMXNXHLJLVJT-UHFFFAOYSA-N 0 1 285.259 2.509 20 30 CFEDMN Cn1c(NN=Cc2ccsc2)nnc1-c1ccccc1 ZINC000915968842 624197277 /nfs/dbraw/zinc/19/72/77/624197277.db2.gz LVWRSTJCAYVRKW-UHFFFAOYSA-N 0 1 283.360 2.990 20 30 CFEDMN Cn1c([N-][NH+]=Cc2ccsc2)nnc1-c1ccccc1 ZINC000915968842 624197278 /nfs/dbraw/zinc/19/72/78/624197278.db2.gz LVWRSTJCAYVRKW-UHFFFAOYSA-N 0 1 283.360 2.990 20 30 CFEDMN COc1cc(C=NNc2cc(C)nc(C)n2)cc(OC)c1 ZINC000915970915 624197306 /nfs/dbraw/zinc/19/73/06/624197306.db2.gz SXEOUZRYTRMIST-UHFFFAOYSA-N 0 1 286.335 2.557 20 30 CFEDMN C(CN1CCCCC1)NN=C1C2CC3CC(C2)CC1C3 ZINC000915974398 624198888 /nfs/dbraw/zinc/19/88/88/624198888.db2.gz SEPVTGCCNGVDBZ-UHFFFAOYSA-N 0 1 275.440 2.874 20 30 CFEDMN COc1cc(C)ccc1C(C)=NNCCN1CCCCC1 ZINC000915975294 624199953 /nfs/dbraw/zinc/19/99/53/624199953.db2.gz QZRDBIXLLLBVTC-UHFFFAOYSA-N 0 1 289.423 2.803 20 30 CFEDMN CN(C)c1ccc(C=[NH+][N-]c2ccc(Cl)nn2)s1 ZINC000916288053 624236003 /nfs/dbraw/zinc/23/60/03/624236003.db2.gz LHZRSYFYRBQHPE-UHFFFAOYSA-N 0 1 281.772 2.704 20 30 CFEDMN CC(C)[C@H](NCc1ccncc1C#N)[C@H](O)c1ccccc1 ZINC000828515920 624260198 /nfs/dbraw/zinc/26/01/98/624260198.db2.gz LSWUBGZRBSBTDP-ZWKOTPCHSA-N 0 1 295.386 2.801 20 30 CFEDMN C=CCN1CCC[C@@H](NC(=O)c2ccc(Cl)cn2)[C@@H]1C ZINC000994270725 624267727 /nfs/dbraw/zinc/26/77/27/624267727.db2.gz IDVZOFILVNNFPN-WCQYABFASA-N 0 1 293.798 2.504 20 30 CFEDMN Cn1c(Cl)cnc1/C=C\C(=O)c1cc(F)ccc1O ZINC000916662568 624271850 /nfs/dbraw/zinc/27/18/50/624271850.db2.gz ADJMFLWLNXUPCW-PLNGDYQASA-N 0 1 280.686 2.814 20 30 CFEDMN C#CCN1CCC[C@H](NC(=O)c2cccc(C)c2C)[C@H]1C ZINC000994323560 624275798 /nfs/dbraw/zinc/27/57/98/624275798.db2.gz BJCIKGZJJFXKPR-WBVHZDCISA-N 0 1 284.403 2.519 20 30 CFEDMN C#CC[N@@H+]1CCC[C@@H](NC(=O)c2ccc(C)c(C)c2)[C@@H]1C ZINC000994353734 624278395 /nfs/dbraw/zinc/27/83/95/624278395.db2.gz RAQKMIUIAWAUDK-DOTOQJQBSA-N 0 1 284.403 2.519 20 30 CFEDMN C#CCN1CCC[C@@H](NC(=O)c2ccc(C)c(C)c2)[C@@H]1C ZINC000994353734 624278396 /nfs/dbraw/zinc/27/83/96/624278396.db2.gz RAQKMIUIAWAUDK-DOTOQJQBSA-N 0 1 284.403 2.519 20 30 CFEDMN C=CCN1CCC[C@@H](NC(=O)c2ccc3c(c2)CCC3)[C@@H]1C ZINC000994388867 624289513 /nfs/dbraw/zinc/28/95/13/624289513.db2.gz NYHUDGRTYUDSBX-KBXCAEBGSA-N 0 1 298.430 2.944 20 30 CFEDMN CC#CCN1CCC[C@@H](NC(=O)C2CCC=CCC2)[C@H]1C ZINC000994452277 624302520 /nfs/dbraw/zinc/30/25/20/624302520.db2.gz PIEUFZROJDACEH-NVXWUHKLSA-N 0 1 288.435 2.725 20 30 CFEDMN C=CCN(CC(=O)N[C@@H](C)CCCCC)C(C)C ZINC000917071813 624307578 /nfs/dbraw/zinc/30/75/78/624307578.db2.gz ZGAKFTFZSJEWDS-AWEZNQCLSA-N 0 1 254.418 2.968 20 30 CFEDMN C=CCN(CC(=O)N[C@@H]1CCCC[C@@H]1C)C(C)C ZINC000917070874 624307711 /nfs/dbraw/zinc/30/77/11/624307711.db2.gz IPSYBXCURCODJQ-UONOGXRCSA-N 0 1 252.402 2.578 20 30 CFEDMN C=CCN(CC(=O)N([C@H](C)C1CC1)C1CC1)C(C)C ZINC000917167886 624320024 /nfs/dbraw/zinc/32/00/24/624320024.db2.gz GRYZBLUNMBNOMH-CYBMUJFWSA-N 0 1 264.413 2.672 20 30 CFEDMN C=CCN(CC(=O)NCc1sccc1C)C(C)C ZINC000917167908 624320364 /nfs/dbraw/zinc/32/03/64/624320364.db2.gz HNGNWLHVXVQPMC-UHFFFAOYSA-N 0 1 266.410 2.569 20 30 CFEDMN CC#CCCOC(=O)c1ccc(CN2CCCCC2)o1 ZINC000923832270 624350877 /nfs/dbraw/zinc/35/08/77/624350877.db2.gz UYCVBWRAGZFHKV-UHFFFAOYSA-N 0 1 275.348 2.836 20 30 CFEDMN c1ccc2[nH]c(N=NCc3ccc4c(c3)CCO4)nc2c1 ZINC000917533524 624355750 /nfs/dbraw/zinc/35/57/50/624355750.db2.gz IXMCVVFVNLZSLI-UHFFFAOYSA-N 0 1 278.315 2.944 20 30 CFEDMN CCCOc1cccc(C=NNc2ncnc3[nH]cnc32)c1 ZINC000917555723 624359704 /nfs/dbraw/zinc/35/97/04/624359704.db2.gz NFHKAHNDPNGKMW-UHFFFAOYSA-N 0 1 296.334 2.588 20 30 CFEDMN C=CCN(C(=O)NC[C@H](c1cccs1)N(C)C)C(C)C ZINC000918057620 624413264 /nfs/dbraw/zinc/41/32/64/624413264.db2.gz WTCCDQSTGAVSDQ-CYBMUJFWSA-N 0 1 295.452 2.957 20 30 CFEDMN C#CC[C@@H]1CCCN([C@H](C)C(=O)Nc2cccc(F)c2)C1 ZINC000829779338 624534770 /nfs/dbraw/zinc/53/47/70/624534770.db2.gz QSGOBHGUOADKCW-ZIAGYGMSSA-N 0 1 288.366 2.888 20 30 CFEDMN C#CC[C@@H]1CCCN(Cc2ccc([N+](=O)[O-])cc2F)C1 ZINC000829784896 624537139 /nfs/dbraw/zinc/53/71/39/624537139.db2.gz NXSJMUXZEQZDEM-GFCCVEGCSA-N 0 1 276.311 2.969 20 30 CFEDMN CCC/C=C/C(=O)OCC(=O)[C@H](C#N)c1nc(C)cs1 ZINC000919241718 624545482 /nfs/dbraw/zinc/54/54/82/624545482.db2.gz CWTKIEIXVZMMGU-QRGHLMKCSA-N 0 1 292.360 2.527 20 30 CFEDMN CCC/C=C/C(=O)OCC(=O)C(C#N)c1nc(C)cs1 ZINC000919241718 624545487 /nfs/dbraw/zinc/54/54/87/624545487.db2.gz CWTKIEIXVZMMGU-QRGHLMKCSA-N 0 1 292.360 2.527 20 30 CFEDMN C#CC[C@H]1CCCN([C@@H](C(=O)OC)c2ccccc2C)C1 ZINC000829810662 624550630 /nfs/dbraw/zinc/55/06/30/624550630.db2.gz SSKFLTIKXXAPSI-DOTOQJQBSA-N 0 1 285.387 2.944 20 30 CFEDMN C#CCN1CCC(NC(=O)c2ccsc2C(F)F)CC1 ZINC000830169237 624653906 /nfs/dbraw/zinc/65/39/06/624653906.db2.gz UUKBJVWZLBUFID-UHFFFAOYSA-N 0 1 298.358 2.513 20 30 CFEDMN Cn1c(Cl)cnc1/C=C\C(=O)c1ccccc1O ZINC000033892665 624667971 /nfs/dbraw/zinc/66/79/71/624667971.db2.gz QBBFQBPTZNVWQY-SREVYHEPSA-N 0 1 262.696 2.675 20 30 CFEDMN C#CC1CCN(CC(=O)NC2CCCCCCC2)CC1 ZINC000830301277 624703492 /nfs/dbraw/zinc/70/34/92/624703492.db2.gz JBHVBIKQXPJIHO-UHFFFAOYSA-N 0 1 276.424 2.561 20 30 CFEDMN C#CC1CCN([C@@H](C)C(=O)Nc2cccc(C)c2C)CC1 ZINC000830305823 624704370 /nfs/dbraw/zinc/70/43/70/624704370.db2.gz VZJDAAOPFSTIQL-HNNXBMFYSA-N 0 1 284.403 2.976 20 30 CFEDMN C#CC1CCN([C@@H](C)C(=O)N2c3ccccc3C[C@H]2C)CC1 ZINC000830311861 624705739 /nfs/dbraw/zinc/70/57/39/624705739.db2.gz XYPZBWWZUITYEP-CABCVRRESA-N 0 1 296.414 2.698 20 30 CFEDMN C=C1CCC(CNC(=O)Cc2n[nH]c3c2CCCC3)CC1 ZINC000830994454 624949157 /nfs/dbraw/zinc/94/91/57/624949157.db2.gz MDGCMVSRRKZLRU-UHFFFAOYSA-N 0 1 287.407 2.694 20 30 CFEDMN C=C(Cl)CN1C[C@H](C(=O)NCCCC)CC[C@H]1C ZINC000069173686 625059411 /nfs/dbraw/zinc/05/94/11/625059411.db2.gz NCNYCZQBVUSQJO-CHWSQXEVSA-N 0 1 272.820 2.756 20 30 CFEDMN C=C[C@@H]1OCCC[C@H]1[NH2+]Cc1cc(F)cc(C(C)=O)c1[O-] ZINC000831830276 625147389 /nfs/dbraw/zinc/14/73/89/625147389.db2.gz SYLWSFNVTPODNP-CABCVRRESA-N 0 1 293.338 2.557 20 30 CFEDMN C=C(Cl)CN[C@H]1CN(C(=O)[C@@H]2C[C@H]2CC)CC1(C)C ZINC000996322058 625896209 /nfs/dbraw/zinc/89/62/09/625896209.db2.gz KDVVBBZZLPULSE-UPJWGTAASA-N 0 1 284.831 2.612 20 30 CFEDMN C=CC[N@@H+](Cc1ccccc1F)C1CCN(C(C)=O)CC1 ZINC000769014004 625910668 /nfs/dbraw/zinc/91/06/68/625910668.db2.gz VBECLAROIXBEFS-UHFFFAOYSA-N 0 1 290.382 2.825 20 30 CFEDMN C=CCN(Cc1ccccc1F)C1CCN(C(C)=O)CC1 ZINC000769014004 625910671 /nfs/dbraw/zinc/91/06/71/625910671.db2.gz VBECLAROIXBEFS-UHFFFAOYSA-N 0 1 290.382 2.825 20 30 CFEDMN CCn1nnc(C)c1C=NN=c1[nH]c2ccccc2cc1C ZINC000834970473 625938475 /nfs/dbraw/zinc/93/84/75/625938475.db2.gz LODZZJIXFYVLOD-UHFFFAOYSA-N 0 1 294.362 2.909 20 30 CFEDMN CSCCON=C1CCCc2cc(N)ccc21 ZINC000834975823 625940390 /nfs/dbraw/zinc/94/03/90/625940390.db2.gz RBDDFKLLXCCWJN-UHFFFAOYSA-N 0 1 250.367 2.689 20 30 CFEDMN CC1(C)OCC[C@H]1NN=Cc1cc(-c2ccccc2)[nH]n1 ZINC000835017552 625963361 /nfs/dbraw/zinc/96/33/61/625963361.db2.gz PISQODHSCOLKMH-OAHLLOKOSA-N 0 1 284.363 2.568 20 30 CFEDMN C=C1CCC(CNC(=O)N[C@H]2CCCc3cn[nH]c32)CC1 ZINC000921525579 625973761 /nfs/dbraw/zinc/97/37/61/625973761.db2.gz MYCUUOXXHOUIHG-AWEZNQCLSA-N 0 1 288.395 2.833 20 30 CFEDMN C=C(Cl)CN1CCC[C@@H](N(CC)C(=O)C2CC2)CC1 ZINC000997893959 626017662 /nfs/dbraw/zinc/01/76/62/626017662.db2.gz LDNAORPCCPFKQL-CQSZACIVSA-N 0 1 284.831 2.852 20 30 CFEDMN C=C(Cl)CN[C@@H]1CCCN(C(=O)Cc2cccs2)C1 ZINC000998392187 626047877 /nfs/dbraw/zinc/04/78/77/626047877.db2.gz IBTXXCYPUGVGLI-GFCCVEGCSA-N 0 1 298.839 2.624 20 30 CFEDMN C=C(Cl)CN[C@H]1CCCN(C(=O)/C=C\c2ccco2)C1 ZINC000998408211 626048188 /nfs/dbraw/zinc/04/81/88/626048188.db2.gz SBUBWDYZWRUDCF-FWWRYZNZSA-N 0 1 294.782 2.626 20 30 CFEDMN C=C(Cl)CN[C@@H]1CCCN(C(=O)c2cccs2)C1 ZINC000998448931 626051752 /nfs/dbraw/zinc/05/17/52/626051752.db2.gz ZPSXDNKPLOYPRK-LLVKDONJSA-N 0 1 284.812 2.695 20 30 CFEDMN CCCON=C(N)c1ccc(N2CCCCC2)cc1 ZINC000085265347 626052128 /nfs/dbraw/zinc/05/21/28/626052128.db2.gz NTRRAJWPDNRPAU-UHFFFAOYSA-N 0 1 261.369 2.724 20 30 CFEDMN C=C(Cl)CN[C@H]1CCCN(C(=O)c2ccoc2C)C1 ZINC000998478263 626052983 /nfs/dbraw/zinc/05/29/83/626052983.db2.gz DDFKHYQLMLDWQG-LBPRGKRZSA-N 0 1 282.771 2.535 20 30 CFEDMN C=C(Cl)CN[C@@H]1CCCN(C(=O)c2cc[nH]c2CC)C1 ZINC000999078970 626065327 /nfs/dbraw/zinc/06/53/27/626065327.db2.gz IMRCQOMRFGTQCX-GFCCVEGCSA-N 0 1 295.814 2.524 20 30 CFEDMN C=C(Cl)CN[C@H]1CCCN(C(=O)Cc2ccccc2)C1 ZINC000999526598 626075883 /nfs/dbraw/zinc/07/58/83/626075883.db2.gz ZMZADTXAVIUGCY-HNNXBMFYSA-N 0 1 292.810 2.562 20 30 CFEDMN C=C(Cl)CN[C@@H]1CCCN(C(=O)[C@]2(C)C=CCC2)C1 ZINC000999914442 626083841 /nfs/dbraw/zinc/08/38/41/626083841.db2.gz OCXSCVYNFOWRCU-UKRRQHHQSA-N 0 1 282.815 2.676 20 30 CFEDMN C=C(Cl)CN[C@@H]1CCCN(C(=O)C2(C(C)C)CC2)C1 ZINC001000139229 626090280 /nfs/dbraw/zinc/09/02/80/626090280.db2.gz WVAUAYTYCJFEMI-CYBMUJFWSA-N 0 1 284.831 2.756 20 30 CFEDMN C=C(Cl)CN[C@@H]1CCCN(C(=O)[C@@H](C)C(C)C)C1 ZINC001000356178 626112247 /nfs/dbraw/zinc/11/22/47/626112247.db2.gz NQJLISDTCNBYFM-QWHCGFSZSA-N 0 1 272.820 2.612 20 30 CFEDMN Cc1nc(C)c(CNCc2csc(C#N)c2)s1 ZINC000921783044 626121704 /nfs/dbraw/zinc/12/17/04/626121704.db2.gz MTSAFTRRHIMWDX-UHFFFAOYSA-N 0 1 263.391 2.983 20 30 CFEDMN CC#CCN1CC=C(CNC(=O)C2CCCCCC2)CC1 ZINC001000496985 626122554 /nfs/dbraw/zinc/12/25/54/626122554.db2.gz SPOAESHOVAQFAM-UHFFFAOYSA-N 0 1 288.435 2.728 20 30 CFEDMN C=C1CCC(C(=O)NCC2=CCN(CC#CC)CC2)CC1 ZINC001001116861 626145794 /nfs/dbraw/zinc/14/57/94/626145794.db2.gz LTTJGXUIWUGABI-UHFFFAOYSA-N 0 1 286.419 2.504 20 30 CFEDMN CC#CC[N@@H+]1CC=C(CNC(=O)c2cccc(C)c2C)CC1 ZINC001001420233 626157432 /nfs/dbraw/zinc/15/74/32/626157432.db2.gz JLYSXLPFVAUZLY-UHFFFAOYSA-N 0 1 296.414 2.689 20 30 CFEDMN CC#CCN1CC=C(CNC(=O)c2cccc(C)c2C)CC1 ZINC001001420233 626157434 /nfs/dbraw/zinc/15/74/34/626157434.db2.gz JLYSXLPFVAUZLY-UHFFFAOYSA-N 0 1 296.414 2.689 20 30 CFEDMN N#Cc1cccc(C2(NCc3cnn(CCF)c3)CC2)c1 ZINC000921924185 626179007 /nfs/dbraw/zinc/17/90/07/626179007.db2.gz NYXHWXFSDUGSBC-UHFFFAOYSA-N 0 1 284.338 2.503 20 30 CFEDMN N#Cc1ccc2c(c1)CC[C@@H]2NCc1cnn(CCF)c1 ZINC000922072217 626203637 /nfs/dbraw/zinc/20/36/37/626203637.db2.gz DUSLBRLIVIHSSP-INIZCTEOSA-N 0 1 284.338 2.501 20 30 CFEDMN N#Cc1ccc(/C=C\C(=O)c2ccc(O)cc2O)cc1 ZINC000255567838 626214737 /nfs/dbraw/zinc/21/47/37/626214737.db2.gz DYIHIUJOGDZYGO-YVMONPNESA-N 0 1 265.268 2.866 20 30 CFEDMN C=C(CC)CNCc1ccc(C(=O)OC)cc1F ZINC000922168751 626229593 /nfs/dbraw/zinc/22/95/93/626229593.db2.gz WJTAPECULGIZKN-UHFFFAOYSA-N 0 1 251.301 2.668 20 30 CFEDMN C[C@H]1C[C@@H](NCc2cc(C#N)ccc2Br)CO1 ZINC000922216436 626242605 /nfs/dbraw/zinc/24/26/05/626242605.db2.gz WXWGFWCJIKSPIG-JOYOIKCWSA-N 0 1 295.180 2.588 20 30 CFEDMN CC#CCN1CCC(NC(=O)[C@H](C)c2ccc(C)cc2)CC1 ZINC001004003102 626277000 /nfs/dbraw/zinc/27/70/00/626277000.db2.gz HBJVGPIHVTXGKH-MRXNPFEDSA-N 0 1 298.430 2.702 20 30 CFEDMN CC#CCN1CCC(NC(=O)c2cccc(Cl)c2)CC1 ZINC001004033032 626278528 /nfs/dbraw/zinc/27/85/28/626278528.db2.gz KMHPVJQRIWIIBK-UHFFFAOYSA-N 0 1 290.794 2.558 20 30 CFEDMN C#CCN1CCC(N(C)C(=O)c2ccccc2CCC)CC1 ZINC001005693470 626419736 /nfs/dbraw/zinc/41/97/36/626419736.db2.gz IRTQCHQXZANRFE-UHFFFAOYSA-N 0 1 298.430 2.809 20 30 CFEDMN C#CCC1(NCc2csc(-c3cnn(C)c3)n2)CCC1 ZINC000922997921 626441188 /nfs/dbraw/zinc/44/11/88/626441188.db2.gz FAQOYWRMTPZBTE-UHFFFAOYSA-N 0 1 286.404 2.579 20 30 CFEDMN C#CCN1CCC(N(C)C(=O)c2occc2C(C)C)CC1 ZINC001005868796 626443134 /nfs/dbraw/zinc/44/31/34/626443134.db2.gz DBCKTJDMIKTORL-UHFFFAOYSA-N 0 1 288.391 2.573 20 30 CFEDMN C=CCOC(=O)c1c[nH]c(=NC(=O)OC(C)(C)C)s1 ZINC000923130981 626452370 /nfs/dbraw/zinc/45/23/70/626452370.db2.gz DSTDGQKMSVYKDA-UHFFFAOYSA-N 0 1 284.337 2.833 20 30 CFEDMN CC#CCN1CCC(N(C)C(=O)[C@@H]2C[C@H]2CC(C)C)CC1 ZINC001006031203 626463732 /nfs/dbraw/zinc/46/37/32/626463732.db2.gz UADJAKLZXFBVLP-NVXWUHKLSA-N 0 1 290.451 2.615 20 30 CFEDMN C#CCN1CCC(N(C)C(=O)[C@H]2CC[C@H](CC)CC2)CC1 ZINC001006319955 626482909 /nfs/dbraw/zinc/48/29/09/626482909.db2.gz NQUWAYANSFNWPJ-WKILWMFISA-N 0 1 290.451 2.759 20 30 CFEDMN C#Cc1cccc(N(C)C(=O)c2cccc3c[nH]nc32)c1 ZINC000103102492 626499252 /nfs/dbraw/zinc/49/92/52/626499252.db2.gz HFSFIXQMTMECKH-UHFFFAOYSA-N 0 1 275.311 2.821 20 30 CFEDMN CCCCCCCCNC(=O)NCc1n[nH]c(CC)n1 ZINC000838526791 626499508 /nfs/dbraw/zinc/49/95/08/626499508.db2.gz BIZPDTTVWADJEU-UHFFFAOYSA-N 0 1 281.404 2.527 20 30 CFEDMN C=CCC[C@H](C(=O)OCc1c[nH]nn1)c1ccccc1 ZINC000838897802 626514820 /nfs/dbraw/zinc/51/48/20/626514820.db2.gz NBPODNCHZDLTKV-AWEZNQCLSA-N 0 1 271.320 2.598 20 30 CFEDMN C#C[C@H](N[C@@H]1C[C@H](OCC)[C@@H]1SC)c1ccc(F)cc1 ZINC000839111876 626525602 /nfs/dbraw/zinc/52/56/02/626525602.db2.gz ZETHEKIUSFTKIJ-XUWVNRHRSA-N 0 1 293.407 2.999 20 30 CFEDMN COCCC1(C)CN(Cc2ccc(O[C@@H](C)C#N)cc2)C1 ZINC000839142847 626528713 /nfs/dbraw/zinc/52/87/13/626528713.db2.gz KALBUCPCUKECQH-AWEZNQCLSA-N 0 1 288.391 2.836 20 30 CFEDMN C#CC[C@H](Nc1ncnc2[nH]cnc21)c1ccccc1 ZINC000756956346 626542728 /nfs/dbraw/zinc/54/27/28/626542728.db2.gz CFXKUNHLGKURIC-LBPRGKRZSA-N 0 1 263.304 2.529 20 30 CFEDMN CC[C@@](C)(C#N)NC(=O)C(F)(F)c1c(F)cccc1F ZINC000756961832 626542826 /nfs/dbraw/zinc/54/28/26/626542826.db2.gz LHZZVQBHTHNLPE-LBPRGKRZSA-N 0 1 288.244 2.865 20 30 CFEDMN C#CCCC[N@H+]([C@@H](C)C(=O)OC(C)(C)C)C1CC1 ZINC000839632310 626549036 /nfs/dbraw/zinc/54/90/36/626549036.db2.gz SVWYLAPBKMTMRB-LBPRGKRZSA-N 0 1 251.370 2.594 20 30 CFEDMN C#CCCCN([C@@H](C)C(=O)OC(C)(C)C)C1CC1 ZINC000839632310 626549037 /nfs/dbraw/zinc/54/90/37/626549037.db2.gz SVWYLAPBKMTMRB-LBPRGKRZSA-N 0 1 251.370 2.594 20 30 CFEDMN N#CCOc1cccc(/C=C\C(=O)c2ccc(O)cc2O)c1 ZINC000757472572 626553073 /nfs/dbraw/zinc/55/30/73/626553073.db2.gz OSTZKYPYOJZVSC-DAXSKMNVSA-N 0 1 295.294 2.896 20 30 CFEDMN C=CCCCCCCNC(=O)NCc1cc(CC)[nH]n1 ZINC000805142158 626553344 /nfs/dbraw/zinc/55/33/44/626553344.db2.gz SFOZVMXBHPDMCB-UHFFFAOYSA-N 0 1 278.400 2.908 20 30 CFEDMN CC(=NNc1cnccn1)c1c(Cl)cccc1[N+](=O)[O-] ZINC000758104951 626576606 /nfs/dbraw/zinc/57/66/06/626576606.db2.gz RLFXNWVLDGMEMZ-UHFFFAOYSA-N 0 1 291.698 2.874 20 30 CFEDMN CC(C)C[C@@H]1CCCCN1Cn1cccc(C#N)c1=O ZINC000758235896 626584218 /nfs/dbraw/zinc/58/42/18/626584218.db2.gz LGWWRJRPOAXJIV-HNNXBMFYSA-N 0 1 273.380 2.578 20 30 CFEDMN C[C@H]1[C@@H](c2ccccc2)CCN1Cn1cccc(C#N)c1=O ZINC000758237136 626584539 /nfs/dbraw/zinc/58/45/39/626584539.db2.gz OLNSCRFGZJOLCP-YOEHRIQHSA-N 0 1 293.370 2.555 20 30 CFEDMN CCCCC[C@@H]1CCCN1Cn1cccc(C#N)c1=O ZINC000758241990 626585018 /nfs/dbraw/zinc/58/50/18/626585018.db2.gz VOLBHCMZSLJKHJ-OAHLLOKOSA-N 0 1 273.380 2.722 20 30 CFEDMN C#CCCCC(=O)N1C[C@@H](C)N(Cc2ccccc2)C[C@@H]1C ZINC000758911875 626617247 /nfs/dbraw/zinc/61/72/47/626617247.db2.gz WUXBLDCRPUIZNA-SJORKVTESA-N 0 1 298.430 2.911 20 30 CFEDMN N#Cc1cc(COC(=O)[C@H]2CCCc3[nH]ncc32)ccc1F ZINC000758954113 626620359 /nfs/dbraw/zinc/62/03/59/626620359.db2.gz LXXGJWYJMDYBEG-LBPRGKRZSA-N 0 1 299.305 2.584 20 30 CFEDMN Cc1cc(C(C#N)C(=O)C[C@@H](C)c2ccncc2)nc(C)n1 ZINC000759206746 626637230 /nfs/dbraw/zinc/63/72/30/626637230.db2.gz RGEWEHJKRYIIHQ-ABAIWWIYSA-N 0 1 294.358 2.859 20 30 CFEDMN COc1cccc(NC(=O)C(C#N)C(=O)CC2(C)CC2)c1 ZINC000759431621 626657490 /nfs/dbraw/zinc/65/74/90/626657490.db2.gz MBZWUUPCQZPGQU-CYBMUJFWSA-N 0 1 286.331 2.533 20 30 CFEDMN COc1ccccc1NC(=O)C(C#N)C(=O)CC1(C)CC1 ZINC000759432569 626657688 /nfs/dbraw/zinc/65/76/88/626657688.db2.gz XFOIPDMCBLIKEC-NSHDSACASA-N 0 1 286.331 2.533 20 30 CFEDMN N#Cc1ccc(O)c(NC(=O)/C=C\c2ccsc2)c1 ZINC000759712872 626686224 /nfs/dbraw/zinc/68/62/24/626686224.db2.gz BAKCZYVYUSYZGN-RQOWECAXSA-N 0 1 270.313 2.977 20 30 CFEDMN CC(=O)CCC(C)(C)C(=O)Nc1cc(C#N)ccc1O ZINC000759713678 626686633 /nfs/dbraw/zinc/68/66/33/626686633.db2.gz POKBXUKFSYJXKT-UHFFFAOYSA-N 0 1 274.320 2.598 20 30 CFEDMN Cc1cc(N=NCc2cnc(C3CCC3)s2)ncn1 ZINC000760259837 626725786 /nfs/dbraw/zinc/72/57/86/626725786.db2.gz YBAHTSRWDAXXAP-UHFFFAOYSA-N 0 1 273.365 2.955 20 30 CFEDMN C#CCCNc1ccccc1CN1C[C@H](C)O[C@@H](C)C1 ZINC000760289433 626730270 /nfs/dbraw/zinc/73/02/70/626730270.db2.gz IGXVQUVTYQSLRX-GJZGRUSLSA-N 0 1 272.392 2.731 20 30 CFEDMN N#CC(C(=O)CCc1cccc(F)c1F)c1ccncn1 ZINC000760340062 626736248 /nfs/dbraw/zinc/73/62/48/626736248.db2.gz LPMPFZQQNFJSJG-NSHDSACASA-N 0 1 287.269 2.564 20 30 CFEDMN N#CC(C(=O)CCc1cccc(Cl)c1)c1ccncn1 ZINC000760337836 626736443 /nfs/dbraw/zinc/73/64/43/626736443.db2.gz BXKNGIGFEQVZSD-CYBMUJFWSA-N 0 1 285.734 2.939 20 30 CFEDMN N#C[C@H](C(=O)[C@H]1C[C@@H]1c1cccc(F)c1F)c1ccncn1 ZINC000760344357 626737724 /nfs/dbraw/zinc/73/77/24/626737724.db2.gz HFUFTNKWCCGYLC-WOPDTQHZSA-N 0 1 299.280 2.735 20 30 CFEDMN N#C[C@H](C(=O)[C@@H]1C[C@@H]1c1ccc(F)cc1)c1ccncn1 ZINC000760353549 626738732 /nfs/dbraw/zinc/73/87/32/626738732.db2.gz QHRJGORKAQKCRU-MCIONIFRSA-N 0 1 281.290 2.596 20 30 CFEDMN CC[C@H](Oc1ccccc1C)C(=O)C(C#N)c1ccncn1 ZINC000760358157 626739473 /nfs/dbraw/zinc/73/94/73/626739473.db2.gz NKZWSZZLEVSGGY-HIFRSBDPSA-N 0 1 295.342 2.819 20 30 CFEDMN Cc1ccc(CN=Nc2cnnc3ccccc23)nc1 ZINC000761809949 626860012 /nfs/dbraw/zinc/86/00/12/626860012.db2.gz PEZSCQUOCVUEGS-UHFFFAOYSA-N 0 1 263.304 2.779 20 30 CFEDMN Cn1cc(NN=Cc2cc(Cl)c(O)cc2Cl)cn1 ZINC000761866254 626867192 /nfs/dbraw/zinc/86/71/92/626867192.db2.gz QSWRMYDATIMQPV-UHFFFAOYSA-N 0 1 285.134 2.879 20 30 CFEDMN CCCOc1ccc(CN=Nc2cnn(C)c2)cc1 ZINC000761881470 626869491 /nfs/dbraw/zinc/86/94/91/626869491.db2.gz ONWVVYPKELHMMM-UHFFFAOYSA-N 0 1 258.325 2.655 20 30 CFEDMN Cc1cccc2[nH]cc(C=NNc3cnn(C)c3)c21 ZINC000761886325 626870347 /nfs/dbraw/zinc/87/03/47/626870347.db2.gz YWFFVYWKJVITIX-UHFFFAOYSA-N 0 1 253.309 2.656 20 30 CFEDMN C=CC[C@H](NC(=O)CN1CCC(C)CC1)c1ccncc1 ZINC000762219540 626904748 /nfs/dbraw/zinc/90/47/48/626904748.db2.gz AOMPNWZLAAFOFP-INIZCTEOSA-N 0 1 287.407 2.547 20 30 CFEDMN Fc1cccc2[nH]cc(C=NNC3=N[C@@H]4CCCC[C@@H]4N3)c21 ZINC000763369356 626983584 /nfs/dbraw/zinc/98/35/84/626983584.db2.gz GYOZRSKENYRDCN-BETUJISGSA-N 0 1 299.353 2.501 20 30 CFEDMN C[C@@H](C#N)Oc1ccc(CNCc2ccc(F)cn2)cc1 ZINC000763522907 626994449 /nfs/dbraw/zinc/99/44/49/626994449.db2.gz SJXFJWSRCIWKDQ-LBPRGKRZSA-N 0 1 285.322 2.801 20 30 CFEDMN CC(=NNc1ncnc2nc[nH]c21)c1cc2c(s1)CCC2 ZINC000764684007 627083450 /nfs/dbraw/zinc/08/34/50/627083450.db2.gz VLSBBWSBDMFACB-UHFFFAOYSA-N 0 1 298.375 2.739 20 30 CFEDMN Cc1cccc2nc(CN=Cc3cccc(O)c3O)[nH]c21 ZINC000765498325 627142904 /nfs/dbraw/zinc/14/29/04/627142904.db2.gz AMYNNQIKOJKLRR-CAOOACKPSA-N 0 1 281.315 2.902 20 30 CFEDMN C#CCN1CCC[C@@H]1COC(=O)c1ccc(Cl)c(F)c1 ZINC000765938177 627165395 /nfs/dbraw/zinc/16/53/95/627165395.db2.gz AJQSWLREUMTSSA-GFCCVEGCSA-N 0 1 295.741 2.734 20 30 CFEDMN FC(F)C1CC(=Nn2cnnc2-c2ccccc2)C1 ZINC000766016498 627171514 /nfs/dbraw/zinc/17/15/14/627171514.db2.gz ARUQHDJHLRTOFW-UHFFFAOYSA-N 0 1 262.263 2.824 20 30 CFEDMN CC(C)O[C@@H]1C[C@@H](NC[C@H](C#N)CCC#N)C1(C)C ZINC000766039935 627173927 /nfs/dbraw/zinc/17/39/27/627173927.db2.gz ZLXXCIVDNPPOCU-BFHYXJOUSA-N 0 1 263.385 2.612 20 30 CFEDMN C[C@@H](c1ccccc1)[C@H](CO)NCc1ccc(F)cc1C#N ZINC000766970455 627229268 /nfs/dbraw/zinc/22/92/68/627229268.db2.gz GTVOPQVHUATDTH-UGSOOPFHSA-N 0 1 298.361 2.952 20 30 CFEDMN CCON=C(C)c1ccc([O-])c(C[NH+](CC)CC)c1 ZINC000767464451 627253968 /nfs/dbraw/zinc/25/39/68/627253968.db2.gz QOKJCARNDQWXJU-UHFFFAOYSA-N 0 1 264.369 2.995 20 30 CFEDMN C#C[C@H](NCc1ccc(C)c(Cl)c1)[C@H]1CCCO1 ZINC000767684958 627274370 /nfs/dbraw/zinc/27/43/70/627274370.db2.gz REKAMPYIDVGJBS-LSDHHAIUSA-N 0 1 263.768 2.919 20 30 CFEDMN COc1ccc(NN=Cc2ccc(C)o2)c([N+](=O)[O-])c1 ZINC000767803712 627286238 /nfs/dbraw/zinc/28/62/38/627286238.db2.gz POLBULHSVAPENY-UHFFFAOYSA-N 0 1 275.264 2.951 20 30 CFEDMN CCOC(CNC1(c2cccc(C#N)c2)CC1)OCC ZINC000767818909 627287827 /nfs/dbraw/zinc/28/78/27/627287827.db2.gz RATXCLCLUOXTLJ-UHFFFAOYSA-N 0 1 274.364 2.536 20 30 CFEDMN C[C@@H]1CC(N=Nc2cc(C#N)cc(Cl)n2)CN1C1CC1 ZINC000768380561 627338919 /nfs/dbraw/zinc/33/89/19/627338919.db2.gz AZAPGUPEPJNHAC-SECBINFHSA-N 0 1 289.770 2.631 20 30 CFEDMN C=C(C)[C@H](CO)N1CC[C@@H](c2c(F)cccc2F)C1 ZINC000769229078 627413423 /nfs/dbraw/zinc/41/34/23/627413423.db2.gz VMKGURSXCSSHCI-RISCZKNCSA-N 0 1 267.319 2.691 20 30 CFEDMN C=C(C)[C@@H](CO)N1CC[C@H](c2c(F)cccc2F)C1 ZINC000769229079 627413799 /nfs/dbraw/zinc/41/37/99/627413799.db2.gz VMKGURSXCSSHCI-SMDDNHRTSA-N 0 1 267.319 2.691 20 30 CFEDMN C#CCCOc1ccc(CN(C)Cc2cnn(CC)c2)cc1 ZINC000769428903 627437645 /nfs/dbraw/zinc/43/76/45/627437645.db2.gz VYEGBPGHPCPFBD-UHFFFAOYSA-N 0 1 297.402 2.937 20 30 CFEDMN Cn1cc(CN=Nc2ccccn2)c(-c2cccs2)n1 ZINC000769567860 627457236 /nfs/dbraw/zinc/45/72/36/627457236.db2.gz CUNBQASIBGOMKI-UHFFFAOYSA-N 0 1 283.360 2.990 20 30 CFEDMN C=CC1CCN(C2CN(C(=O)OC(C)(C)C)C2)CC1 ZINC000769723917 627469885 /nfs/dbraw/zinc/46/98/85/627469885.db2.gz GCUKIPIMILVQSL-UHFFFAOYSA-N 0 1 266.385 2.504 20 30 CFEDMN Cn1ccnc(NN=Cc2ccc(C(C)(C)C)s2)c1=O ZINC000769820650 627478325 /nfs/dbraw/zinc/47/83/25/627478325.db2.gz LPEQVAVDCHJQJE-UHFFFAOYSA-N 0 1 290.392 2.585 20 30 CFEDMN Cc1nn(C)cc1C=NNc1c(F)cccc1Cl ZINC000769827136 627479699 /nfs/dbraw/zinc/47/96/99/627479699.db2.gz ONDCDFKCKKWGIV-UHFFFAOYSA-N 0 1 266.707 2.967 20 30 CFEDMN CCn1c2ccccc2nc1CN[C@H]1CC[C@H](C#N)C1 ZINC000769945675 627490435 /nfs/dbraw/zinc/49/04/35/627490435.db2.gz RRWOIJXIYAPYNP-STQMWFEESA-N 0 1 268.364 2.838 20 30 CFEDMN C=CC[C@@H]1N(CCS(=O)(=O)CCC)CCCC1(C)C ZINC000769953479 627491039 /nfs/dbraw/zinc/49/10/39/627491039.db2.gz NTOWLJITMLZPKB-AWEZNQCLSA-N 0 1 287.469 2.878 20 30 CFEDMN C#C[C@H](C)N(C)Cc1cc2c(c(Cl)c1)OCO2 ZINC000769962181 627492266 /nfs/dbraw/zinc/49/22/66/627492266.db2.gz SUBUSQOOBNUMOF-VIFPVBQESA-N 0 1 251.713 2.522 20 30 CFEDMN CCN(C)c1ccc(C(C)=NNC[C@H](C)C#N)cc1 ZINC000771111199 627578664 /nfs/dbraw/zinc/57/86/64/627578664.db2.gz FGLLIBUGANYLKJ-GFCCVEGCSA-N 0 1 258.369 2.616 20 30 CFEDMN CSC=CC(=O)[C@H](C#N)c1nc2cccc(C)c2[nH]1 ZINC000771612352 627617914 /nfs/dbraw/zinc/61/79/14/627617914.db2.gz LTHWASVJLWBEPA-GFVADAIESA-N 0 1 271.345 2.924 20 30 CFEDMN C#CCN1CCC(C(=O)OCCCc2ccc(C)cc2)CC1 ZINC000772113116 627673781 /nfs/dbraw/zinc/67/37/81/627673781.db2.gz JVCZLSLZAIXJSA-UHFFFAOYSA-N 0 1 299.414 2.816 20 30 CFEDMN C#CCN1CCC(C(=O)OCCCC2CCCC2)CC1 ZINC000772134490 627677282 /nfs/dbraw/zinc/67/72/82/627677282.db2.gz UXAYIXRKLKUHCE-UHFFFAOYSA-N 0 1 277.408 2.845 20 30 CFEDMN COc1cccc(-c2nc(C)c(C(=O)O[C@H](C)CC#N)[nH]2)c1 ZINC000772664667 627732743 /nfs/dbraw/zinc/73/27/43/627732743.db2.gz VYOQASBZYXHDGH-SNVBAGLBSA-N 0 1 299.330 2.853 20 30 CFEDMN C#CCC(C)(C)C(=O)N(C)Cc1cc(C(C)(C)C)[nH]n1 ZINC000772670031 627733174 /nfs/dbraw/zinc/73/31/74/627733174.db2.gz VCGPJJJWZJMGHF-UHFFFAOYSA-N 0 1 275.396 2.715 20 30 CFEDMN N#Cc1ccc(CNC[C@@H](O)c2ccccc2F)c(F)c1 ZINC000772918911 627758922 /nfs/dbraw/zinc/75/89/22/627758922.db2.gz MHFXOSYWQGAJBR-MRXNPFEDSA-N 0 1 288.297 2.660 20 30 CFEDMN CCCCCCC[C@@H](C)CNC(=O)c1ncn[nH]1 ZINC000773283222 627801438 /nfs/dbraw/zinc/80/14/38/627801438.db2.gz BKJBGDVYMISTPA-LLVKDONJSA-N 0 1 252.362 2.531 20 30 CFEDMN CCCCCCC[C@@H](C)CNC(=O)c1nc[nH]n1 ZINC000773283222 627801444 /nfs/dbraw/zinc/80/14/44/627801444.db2.gz BKJBGDVYMISTPA-LLVKDONJSA-N 0 1 252.362 2.531 20 30 CFEDMN CC1(C)CCC[C@H]1C(=O)[C@H](C#N)C(=O)NC1CCCCC1 ZINC000773977253 627876298 /nfs/dbraw/zinc/87/62/98/627876298.db2.gz VZPPRDFEYCYRGR-KBPBESRZSA-N 0 1 290.407 2.970 20 30 CFEDMN N#CC(C(=O)Nc1ccccc1)C(=O)C1(F)CCCC1 ZINC000773977211 627876323 /nfs/dbraw/zinc/87/63/23/627876323.db2.gz UXSSCODWIWCUIF-LBPRGKRZSA-N 0 1 274.295 2.616 20 30 CFEDMN C[C@H](CC(C)(C)C)C(=O)C(C#N)C(=O)Nc1ccccn1 ZINC000773989143 627876948 /nfs/dbraw/zinc/87/69/48/627876948.db2.gz ZZMZVRKYNZYCCA-VXGBXAGGSA-N 0 1 287.363 2.801 20 30 CFEDMN CO/C(=C/c1ccccc1)C(=O)Nc1cc(C#N)ccc1O ZINC000774083581 627885806 /nfs/dbraw/zinc/88/58/06/627885806.db2.gz ZJOCMWUZXLCRRM-MHWRWJLKSA-N 0 1 294.310 2.890 20 30 CFEDMN CCCCCCCC(=O)N1CCC[C@@H](C2N=NC(=O)O2)C1 ZINC000774215157 627904504 /nfs/dbraw/zinc/90/45/04/627904504.db2.gz AJBBTJOVBPQBQT-GFCCVEGCSA-N 0 1 295.383 2.842 20 30 CFEDMN CCCCCCCC(=O)N1CCC[C@@H](c2n[nH]c(=O)o2)C1 ZINC000774215157 627904509 /nfs/dbraw/zinc/90/45/09/627904509.db2.gz AJBBTJOVBPQBQT-GFCCVEGCSA-N 0 1 295.383 2.842 20 30 CFEDMN CCCCc1nc(C=NOCCOCC)c(Cl)[nH]1 ZINC000774436772 627925685 /nfs/dbraw/zinc/92/56/85/627925685.db2.gz ZMYXHYVUTHKSQY-UHFFFAOYSA-N 0 1 273.764 2.793 20 30 CFEDMN CN(CCC#N)c1ccc(C=NOC2CCOCC2)cc1 ZINC000774473507 627930729 /nfs/dbraw/zinc/93/07/29/627930729.db2.gz WENOXQXPGLSCRK-UHFFFAOYSA-N 0 1 287.363 2.566 20 30 CFEDMN CCc1cc(CNc2c(F)cc(C#N)cc2F)n[nH]1 ZINC000774529818 627936058 /nfs/dbraw/zinc/93/60/58/627936058.db2.gz NJFDHZCJZGENRP-UHFFFAOYSA-N 0 1 262.263 2.734 20 30 CFEDMN C#C[C@@H](C)N(C)Cc1c[nH]nc1-c1cccc(OC)c1 ZINC000775184330 627999044 /nfs/dbraw/zinc/99/90/44/627999044.db2.gz VTLVRCGALCVNPD-GFCCVEGCSA-N 0 1 269.348 2.539 20 30 CFEDMN C#C[C@H](C)[N@@H+](C)Cc1cccc(Br)c1[O-] ZINC000775184066 627999161 /nfs/dbraw/zinc/99/91/61/627999161.db2.gz USJASEFOYAPYFK-VIFPVBQESA-N 0 1 268.154 2.608 20 30 CFEDMN C#C[C@@H](NCc1cccc(OCCC)c1)[C@H]1CCCO1 ZINC000775339678 628011512 /nfs/dbraw/zinc/01/15/12/628011512.db2.gz CWSNFUWHMYPLJP-IAGOWNOFSA-N 0 1 273.376 2.746 20 30 CFEDMN C#C[C@H](NCc1ccc(OC(C)C)cc1)[C@@H]1CCCO1 ZINC000775339330 628011831 /nfs/dbraw/zinc/01/18/31/628011831.db2.gz BOIOWIFOGNHPBO-IRXDYDNUSA-N 0 1 273.376 2.744 20 30 CFEDMN C#C[C@H](NCc1ccc(OCCC)cc1)[C@H]1CCCO1 ZINC000775339962 628011875 /nfs/dbraw/zinc/01/18/75/628011875.db2.gz DZJWFJUTGAMWCR-DLBZAZTESA-N 0 1 273.376 2.746 20 30 CFEDMN C#C[C@@H](NCc1cc2cccc(OC)c2o1)[C@H]1CCCO1 ZINC000775344981 628013606 /nfs/dbraw/zinc/01/36/06/628013606.db2.gz LAISIPGXKNOTFW-HUUCEWRRSA-N 0 1 285.343 2.712 20 30 CFEDMN C#CCNC(=O)CN[C@H](C)c1ccc(SC(C)C)cc1 ZINC000775350355 628013939 /nfs/dbraw/zinc/01/39/39/628013939.db2.gz AYGYBYTYGOOYQG-CYBMUJFWSA-N 0 1 290.432 2.587 20 30 CFEDMN C#CCNC(=O)CN[C@H](c1oc2ccccc2c1C)C(C)C ZINC000775412085 628023326 /nfs/dbraw/zinc/02/33/26/628023326.db2.gz ZMOZEHPGYXDHFG-KRWDZBQOSA-N 0 1 298.386 2.777 20 30 CFEDMN C#C[C@H](N[C@@H]1CCCc2ccc(OC)cc21)[C@@H]1CCCO1 ZINC000775573236 628041780 /nfs/dbraw/zinc/04/17/80/628041780.db2.gz XTQPUMKCSXZQED-KSZLIROESA-N 0 1 285.387 2.843 20 30 CFEDMN C#C[C@H](N[C@H](C)c1cccc(OC)c1)[C@@H]1CCCO1 ZINC000775574562 628042107 /nfs/dbraw/zinc/04/21/07/628042107.db2.gz QZJAEWOBVDILFT-KCXAZCMYSA-N 0 1 259.349 2.527 20 30 CFEDMN C=C(C)CCN1CCO[C@H]([C@@H](C)NC(=O)OC(C)(C)C)C1 ZINC000775615606 628046264 /nfs/dbraw/zinc/04/62/64/628046264.db2.gz QBMDWOGBXRGZIM-KGLIPLIRSA-N 0 1 298.427 2.567 20 30 CFEDMN C=C(C)CCN1CCN(C(=O)OC(C)(C)C)CC1 ZINC000775620801 628047186 /nfs/dbraw/zinc/04/71/86/628047186.db2.gz OZVZPDOYKJIBID-UHFFFAOYSA-N 0 1 254.374 2.505 20 30 CFEDMN C=C(C)CCN1CCN(C(=O)OC(C)(C)C)[C@@H](C)C1 ZINC000775630256 628047933 /nfs/dbraw/zinc/04/79/33/628047933.db2.gz DLMWDJIFZQCPNU-ZDUSSCGKSA-N 0 1 268.401 2.894 20 30 CFEDMN C#C[C@H](NCc1ccccc1C(C)(C)C#N)[C@@H]1CCCO1 ZINC000775796133 628069571 /nfs/dbraw/zinc/06/95/71/628069571.db2.gz TTXMMKMARQYRIA-IRXDYDNUSA-N 0 1 282.387 2.758 20 30 CFEDMN C#C[C@H](NCc1cncc2ccccc21)[C@H]1CCCO1 ZINC000775795233 628069601 /nfs/dbraw/zinc/06/96/01/628069601.db2.gz VLINJVZJIOEUGC-DLBZAZTESA-N 0 1 266.344 2.505 20 30 CFEDMN CC[C@]1(C)COCCN1Cc1ccc(O[C@H](C)C#N)cc1 ZINC000775981633 628090438 /nfs/dbraw/zinc/09/04/38/628090438.db2.gz SDLMXXMUHZLNFK-RHSMWYFYSA-N 0 1 288.391 2.978 20 30 CFEDMN Cc1cc(CN[C@@H](C)c2ccc(OCC#N)cc2)ncn1 ZINC000776170892 628110299 /nfs/dbraw/zinc/11/02/99/628110299.db2.gz LJXARAJWWZNCLF-ZDUSSCGKSA-N 0 1 282.347 2.538 20 30 CFEDMN CC(C)(C#N)CCOC(=O)c1c(F)cc(O)cc1F ZINC000776384456 628140132 /nfs/dbraw/zinc/14/01/32/628140132.db2.gz CKALPDNOKDXWDY-UHFFFAOYSA-N 0 1 269.247 2.767 20 30 CFEDMN CO[C@@H](CN[C@@H](C)c1cccc(C#N)c1)C(F)(F)F ZINC000777013950 628191809 /nfs/dbraw/zinc/19/18/09/628191809.db2.gz YCUHDPHZGFKEKQ-CABZTGNLSA-N 0 1 272.270 2.786 20 30 CFEDMN Fc1ccc(C=NN=c2[nH]c3ccccc3[nH]2)cn1 ZINC000777420626 628224111 /nfs/dbraw/zinc/22/41/11/628224111.db2.gz LIRDODVXROYBKK-UHFFFAOYSA-N 0 1 255.256 2.543 20 30 CFEDMN O=[N+]([O-])c1ccc(C=NNc2cncc(Cl)n2)c(F)c1 ZINC000777881777 628261075 /nfs/dbraw/zinc/26/10/75/628261075.db2.gz JEAMVHREFNPVFG-UHFFFAOYSA-N 0 1 295.661 2.623 20 30 CFEDMN Clc1ccnc(NN=Cc2cccc3c2OCO3)c1 ZINC000777905982 628264152 /nfs/dbraw/zinc/26/41/52/628264152.db2.gz RAXANPRVMFJTRX-UHFFFAOYSA-N 0 1 275.695 2.910 20 30 CFEDMN Cc1nc(CN=Nc2cc(Cl)ccn2)cs1 ZINC000777906432 628264636 /nfs/dbraw/zinc/26/46/36/628264636.db2.gz JWMGBEPLKZORJV-UHFFFAOYSA-N 0 1 252.730 2.946 20 30 CFEDMN C#CCN1CCC[C@H]1COC(=O)[C@H](CC=C)c1ccccc1 ZINC000778633607 628321050 /nfs/dbraw/zinc/32/10/50/628321050.db2.gz GYKWYOWKTLEKNT-ZWKOTPCHSA-N 0 1 297.398 2.987 20 30 CFEDMN C#CC[C@@H](OC(=O)[C@H](CC)N(CC)CC)c1ccccn1 ZINC000778631459 628321439 /nfs/dbraw/zinc/32/14/39/628321439.db2.gz HAIMHNOFIDWYAT-JKSUJKDBSA-N 0 1 288.391 2.810 20 30 CFEDMN CC[C@H](C(=O)O[C@H](C#N)C(C)(C)C)N(CC)CC ZINC000778711248 628326738 /nfs/dbraw/zinc/32/67/38/628326738.db2.gz JMAHHBDUYYXSRA-VXGBXAGGSA-N 0 1 254.374 2.588 20 30 CFEDMN CCCCCCCCNC(=O)N[C@@H](C)c1nnc[nH]1 ZINC000779373072 628377299 /nfs/dbraw/zinc/37/72/99/628377299.db2.gz XDMCCBGBXOZBKB-NSHDSACASA-N 0 1 267.377 2.525 20 30 CFEDMN CC(C)(C)OC(=O)N1C[C@@H](C#N)[C@H](NCC2(C)CCC2)C1 ZINC000779412209 628379703 /nfs/dbraw/zinc/37/97/03/628379703.db2.gz KHZBSJVWPGSDKJ-CHWSQXEVSA-N 0 1 293.411 2.525 20 30 CFEDMN COc1ccc(O)cc1C(C)N=Nc1ccncc1Cl ZINC000779774639 628402010 /nfs/dbraw/zinc/40/20/10/628402010.db2.gz JKKWFVVZICUECQ-UHFFFAOYSA-N 0 1 291.738 2.707 20 30 CFEDMN C#C[C@@](C)(CC)N[C@H](CC)C(=O)Nc1ccc(OC)cc1 ZINC000852099198 634653195 /nfs/dbraw/zinc/65/31/95/634653195.db2.gz GQHDDLFGYRXKNX-WBVHZDCISA-N 0 1 288.391 2.804 20 30 CFEDMN CCCCc1ccc(C(C)=NNC2=NC[C@@H](C)N2)cc1 ZINC000779803788 628408077 /nfs/dbraw/zinc/40/80/77/628408077.db2.gz VJMGDKYTTSLNGG-GFCCVEGCSA-N 0 1 272.396 2.691 20 30 CFEDMN CC(=NNC1=NC[C@H](C)N1)c1ccc2ccccc2c1 ZINC000779805536 628408216 /nfs/dbraw/zinc/40/82/16/628408216.db2.gz NRRDVNKEORTCED-NSHDSACASA-N 0 1 266.348 2.501 20 30 CFEDMN C#C[C@@](C)(CC)N[C@H](C)C(=O)Nc1ccc(F)cc1F ZINC000852098968 634653480 /nfs/dbraw/zinc/65/34/80/634653480.db2.gz AFXNDWKYGQGQGI-BMIGLBTASA-N 0 1 280.318 2.683 20 30 CFEDMN COc1cccc(N=NC2CCOc3ccc(F)cc32)n1 ZINC000779816941 628410309 /nfs/dbraw/zinc/41/03/09/628410309.db2.gz LGXIGCNVWFFLSR-UHFFFAOYSA-N 0 1 287.294 2.828 20 30 CFEDMN COc1ccc2c(c1)C(=NNc1cccc(OC)n1)CCO2 ZINC000779816475 628410318 /nfs/dbraw/zinc/41/03/18/628410318.db2.gz BIABDDJBPNTUOH-UHFFFAOYSA-N 0 1 299.330 2.698 20 30 CFEDMN COc1cc(C=NNc2cccc(OC)n2)cc(OC)c1 ZINC000779818476 628410805 /nfs/dbraw/zinc/41/08/05/628410805.db2.gz RFIDPSBUVAHZJI-UHFFFAOYSA-N 0 1 287.319 2.553 20 30 CFEDMN COc1cccc(NN=Cc2ccc(C)c(F)c2)n1 ZINC000779818355 628410865 /nfs/dbraw/zinc/41/08/65/628410865.db2.gz PMWVTQMCUJKKRR-UHFFFAOYSA-N 0 1 259.284 2.984 20 30 CFEDMN COc1cccc(NN=Cc2cc(F)c(O)c(F)c2)n1 ZINC000779820955 628411214 /nfs/dbraw/zinc/41/12/14/628411214.db2.gz PYQHVFBEYSVEDO-UHFFFAOYSA-N 0 1 279.246 2.520 20 30 CFEDMN C#C[C@@](C)(CC)N[C@H](C)C(=O)Nc1cccc(C(C)=O)c1 ZINC000852100228 634653876 /nfs/dbraw/zinc/65/38/76/634653876.db2.gz GHPPLUNUTROUFU-PXAZEXFGSA-N 0 1 286.375 2.608 20 30 CFEDMN C#C[C@](C)(CC)N[C@H](C)C(=O)Nc1cccc2ncccc21 ZINC000852099805 634653915 /nfs/dbraw/zinc/65/39/15/634653915.db2.gz BAQATHOCMFEREO-FZKQIMNGSA-N 0 1 295.386 2.953 20 30 CFEDMN C#CCCCCCC(=O)Nc1cnn(-c2ccncc2)c1 ZINC000779904638 628417242 /nfs/dbraw/zinc/41/72/42/628417242.db2.gz KDBGVBOZNKNIAE-UHFFFAOYSA-N 0 1 282.347 2.790 20 30 CFEDMN C#C[C@@](C)(CC)NCc1cc(C(=O)OC)ccc1F ZINC000852102538 634656139 /nfs/dbraw/zinc/65/61/39/634656139.db2.gz YVRYLMVLRBLFLM-HNNXBMFYSA-N 0 1 263.312 2.504 20 30 CFEDMN C#CCOc1ccccc1CN=Nc1ccc(OC)cn1 ZINC000780268959 628448589 /nfs/dbraw/zinc/44/85/89/628448589.db2.gz XTGMJVBMFKYJHS-UHFFFAOYSA-N 0 1 281.315 2.548 20 30 CFEDMN COc1ccc(NN=C(C)c2cccc(OC)c2)nc1 ZINC000780270347 628448854 /nfs/dbraw/zinc/44/88/54/628448854.db2.gz GPJGJIOBUJFLNQ-UHFFFAOYSA-N 0 1 271.320 2.935 20 30 CFEDMN COc1ccc(N=NC(C)c2ccc(OC)cc2O)nc1 ZINC000780274639 628449103 /nfs/dbraw/zinc/44/91/03/628449103.db2.gz GPKVQOVGOUTWAS-UHFFFAOYSA-N 0 1 287.319 2.641 20 30 CFEDMN C#C[C@@](C)(CC)NCC(=O)Nc1ccc(C)c(Cl)c1 ZINC000852103000 634657238 /nfs/dbraw/zinc/65/72/38/634657238.db2.gz VOBIWBRRSDZBOO-HNNXBMFYSA-N 0 1 278.783 2.978 20 30 CFEDMN C#C[C@@](C)(CC)N[C@@H]1CCN(c2ccccc2Cl)C1=O ZINC000852102723 634657513 /nfs/dbraw/zinc/65/75/13/634657513.db2.gz OWPXFNLPOVMEEM-CJNGLKHVSA-N 0 1 290.794 2.837 20 30 CFEDMN COc1cc(C)c(CNCc2ccc(C#N)cn2)cc1OC ZINC000780557052 628476447 /nfs/dbraw/zinc/47/64/47/628476447.db2.gz SKEYVKOOQCOKOO-UHFFFAOYSA-N 0 1 297.358 2.569 20 30 CFEDMN C#CCOc1ccccc1CN1CCC[C@@H](OC(F)F)C1 ZINC000781532397 628557553 /nfs/dbraw/zinc/55/75/53/628557553.db2.gz PWGRTEXTCNWOMK-CQSZACIVSA-N 0 1 295.329 2.902 20 30 CFEDMN CC(C)c1ccc([C@@H](C)NN=Cc2cnc(N)nc2)cc1 ZINC000781589300 628562815 /nfs/dbraw/zinc/56/28/15/628562815.db2.gz HIRJQDONBKIOKB-GFCCVEGCSA-N 0 1 283.379 2.867 20 30 CFEDMN CC[C@@H]1C[C@@H](CC(=O)Nc2cc(C#N)ccc2O)CCO1 ZINC000782023582 628598042 /nfs/dbraw/zinc/59/80/42/628598042.db2.gz IBEFCIAGXHOXIJ-WCQYABFASA-N 0 1 288.347 2.798 20 30 CFEDMN CCCCC[C@@H](C)NC(=O)CN1CCC(CC#N)CC1 ZINC000782089132 628603692 /nfs/dbraw/zinc/60/36/92/628603692.db2.gz QBTLETYRDPMJLZ-CQSZACIVSA-N 0 1 279.428 2.697 20 30 CFEDMN CO[C@@H](C(C)=NNCCN1CCCCC1)c1ccccc1 ZINC000782203140 628614453 /nfs/dbraw/zinc/61/44/53/628614453.db2.gz NBBZHADBYZTTFL-KRWDZBQOSA-N 0 1 289.423 2.826 20 30 CFEDMN C#CCOCCN(CCOC)Cc1ccc(F)c(Cl)c1 ZINC000852147540 634671353 /nfs/dbraw/zinc/67/13/53/634671353.db2.gz FEBHYKVKJCFBIJ-UHFFFAOYSA-N 0 1 299.773 2.577 20 30 CFEDMN CC(C)CN(CCC#N)CCCC(=O)OC(C)(C)C ZINC000784157428 628785748 /nfs/dbraw/zinc/78/57/48/628785748.db2.gz AQVUNTMWOREHEX-UHFFFAOYSA-N 0 1 268.401 2.980 20 30 CFEDMN CCc1ccc(NC(=O)C(C#N)C(=O)[C@H](F)C(C)C)cc1 ZINC000784490263 628821127 /nfs/dbraw/zinc/82/11/27/628821127.db2.gz DSMVOHKBECLISY-ZIAGYGMSSA-N 0 1 290.338 2.890 20 30 CFEDMN CC[C@@H](C)CCCCC(=O)C(C#N)C(=O)N1CCCC1 ZINC000784834673 628844543 /nfs/dbraw/zinc/84/45/43/628844543.db2.gz MOYJNTIBZHUSAA-ZIAGYGMSSA-N 0 1 278.396 2.924 20 30 CFEDMN C#CC[C@@H]1CCCN(Cc2ccc(F)cc2[N+](=O)[O-])C1 ZINC000852206831 634689208 /nfs/dbraw/zinc/68/92/08/634689208.db2.gz SPZUUBPOGRQFCL-GFCCVEGCSA-N 0 1 276.311 2.969 20 30 CFEDMN C[C@@H]1CC[C@H](C)N1CC(=O)OCCCC(C)(C)C#N ZINC000785728356 628907236 /nfs/dbraw/zinc/90/72/36/628907236.db2.gz IWBUITWICILTTO-BETUJISGSA-N 0 1 266.385 2.732 20 30 CFEDMN C[C@@H]1CC[C@H](C)N1CC(=O)OCC#Cc1ccc(F)cc1 ZINC000785729497 628908774 /nfs/dbraw/zinc/90/87/74/628908774.db2.gz JKPKMFBILBVING-OKILXGFUSA-N 0 1 289.350 2.593 20 30 CFEDMN N#C[C@H](C(=O)C1(Cc2ccccc2F)CC1)c1ccncn1 ZINC000785894087 628920033 /nfs/dbraw/zinc/92/00/33/628920033.db2.gz NUKQZJPWHFACDY-ZDUSSCGKSA-N 0 1 295.317 2.815 20 30 CFEDMN C=C[C@@H]1CCCCN1C[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC000785999072 628929797 /nfs/dbraw/zinc/92/97/97/628929797.db2.gz QEJCHMJOJQTBJY-UKRRQHHQSA-N 0 1 276.336 2.669 20 30 CFEDMN C=CC[C@@H](NC(=O)c1ccc2cncn2c1)c1ccncc1 ZINC000786171654 628941370 /nfs/dbraw/zinc/94/13/70/628941370.db2.gz SKNAPYAFXMLAOV-MRXNPFEDSA-N 0 1 292.342 2.777 20 30 CFEDMN C=CCCN(C)CC(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000786444266 628957181 /nfs/dbraw/zinc/95/71/81/628957181.db2.gz LCFUBRIMGLXSBP-UHFFFAOYSA-N 0 1 297.742 2.695 20 30 CFEDMN CC=C(C)C(=O)[C@H](C#N)C(=O)NCc1cccc(Cl)c1 ZINC000786535966 628966710 /nfs/dbraw/zinc/96/67/10/628966710.db2.gz WVTJGTSLJGCJBN-DQPCJIFYSA-N 0 1 290.750 2.631 20 30 CFEDMN Cc1cccc(CNC(=O)C(C#N)C(=O)[C@H]2C[C@@H]2C(C)C)c1 ZINC000786543019 628967840 /nfs/dbraw/zinc/96/78/40/628967840.db2.gz QXXFJUWATWUDJS-OWCLPIDISA-N 0 1 298.386 2.612 20 30 CFEDMN C=C[C@@H]1CCCC[N@H+]1Cc1ccc([N+](=O)[O-])c(OC)c1[O-] ZINC000787311224 629005796 /nfs/dbraw/zinc/00/57/96/629005796.db2.gz UIPBAZWUFYPRLG-GFCCVEGCSA-N 0 1 292.335 2.850 20 30 CFEDMN C=C[C@@H]1CCCC[N@@H+]1Cc1ccc([N+](=O)[O-])c(OC)c1[O-] ZINC000787311224 629005799 /nfs/dbraw/zinc/00/57/99/629005799.db2.gz UIPBAZWUFYPRLG-GFCCVEGCSA-N 0 1 292.335 2.850 20 30 CFEDMN C#CCC1(C(=O)N2C[C@H](C)N(C)C[C@@H]2C)CCCCC1 ZINC000788236884 629052352 /nfs/dbraw/zinc/05/23/52/629052352.db2.gz QHEDUBNFCHUAGM-GJZGRUSLSA-N 0 1 276.424 2.511 20 30 CFEDMN C#CCC1(C(=O)N2C[C@@H](C)N(CC)C[C@@H]2C)CCCCC1 ZINC000788453796 629069450 /nfs/dbraw/zinc/06/94/50/629069450.db2.gz FFNRVDBRIWUGNI-CVEARBPZSA-N 0 1 290.451 2.901 20 30 CFEDMN C#CCC1(C(=O)Nc2ccc3[nH]nnc3c2)CCCCC1 ZINC000788455475 629070193 /nfs/dbraw/zinc/07/01/93/629070193.db2.gz XUPJKVNPECFEIB-UHFFFAOYSA-N 0 1 282.347 2.870 20 30 CFEDMN N#Cc1ccc(CNCc2cc3ccccc3[nH]2)nc1 ZINC000788521631 629078404 /nfs/dbraw/zinc/07/84/04/629078404.db2.gz ADISDKICGJEMRT-UHFFFAOYSA-N 0 1 262.316 2.724 20 30 CFEDMN CCC(N=Nc1cc(F)cc(F)c1)c1cn[nH]c1 ZINC000788995298 629115166 /nfs/dbraw/zinc/11/51/66/629115166.db2.gz VIVVDIFTRUPWCM-UHFFFAOYSA-N 0 1 250.252 2.914 20 30 CFEDMN CN(Cc1ccc(F)cc1C#N)[C@@H](CO)Cc1ccccc1 ZINC000852289329 634710051 /nfs/dbraw/zinc/71/00/51/634710051.db2.gz OKHKINBSTUGSGY-GOSISDBHSA-N 0 1 298.361 2.733 20 30 CFEDMN Cc1ccc2nc(/C=C/C(=O)c3ccc(O)cc3O)cn2c1 ZINC000789142806 629129303 /nfs/dbraw/zinc/12/93/03/629129303.db2.gz MDEVINRUMBJCSM-ZZXKWVIFSA-N 0 1 294.310 2.950 20 30 CFEDMN C/C=C(/CC)C(=O)OCC(=O)[C@H](C#N)c1nc(C)cs1 ZINC000789226691 629137280 /nfs/dbraw/zinc/13/72/80/629137280.db2.gz ICCPQQHORDCGFT-FGUAACIASA-N 0 1 292.360 2.527 20 30 CFEDMN C/C=C(/CC)C(=O)OCC(=O)C(C#N)c1nc(C)cs1 ZINC000789226691 629137285 /nfs/dbraw/zinc/13/72/85/629137285.db2.gz ICCPQQHORDCGFT-FGUAACIASA-N 0 1 292.360 2.527 20 30 CFEDMN Cc1ccc(C#N)cc1NC(=O)c1cn[nH]c1C1CC1 ZINC000789748583 629185530 /nfs/dbraw/zinc/18/55/30/629185530.db2.gz QHMWDHWRWKHDEW-UHFFFAOYSA-N 0 1 266.304 2.720 20 30 CFEDMN N#Cc1ccc(O)c(NC(=O)c2nc(Cl)cs2)c1 ZINC000790007273 629202994 /nfs/dbraw/zinc/20/29/94/629202994.db2.gz PVCJOZRDQOXCRV-UHFFFAOYSA-N 0 1 279.708 2.626 20 30 CFEDMN COCC(N=Nc1ccc(C)cn1)c1ccccc1 ZINC000790162895 629215252 /nfs/dbraw/zinc/21/52/52/629215252.db2.gz YNKHNNFASFGQGD-UHFFFAOYSA-N 0 1 255.321 2.853 20 30 CFEDMN CCOc1cc(CN=Nc2ncccc2C)ccc1O ZINC000790193174 629218653 /nfs/dbraw/zinc/21/86/53/629218653.db2.gz WQNRDRVDKPVSQZ-UHFFFAOYSA-N 0 1 271.320 2.940 20 30 CFEDMN Cc1cccnc1N=NCc1c[nH]nc1-c1cccnc1 ZINC000790192966 629218766 /nfs/dbraw/zinc/21/87/66/629218766.db2.gz LSNJTAUHPQUQRR-UHFFFAOYSA-N 0 1 278.319 2.621 20 30 CFEDMN CCc1nn(C)c(CC)c1CN=Nc1ncccc1C ZINC000790193134 629218831 /nfs/dbraw/zinc/21/88/31/629218831.db2.gz UZYZVSHYIDWKNW-UHFFFAOYSA-N 0 1 271.368 2.694 20 30 CFEDMN C[C@@H]1CCN(Cc2ccccc2)CC1N=Nc1nccn1C ZINC000790299576 629226817 /nfs/dbraw/zinc/22/68/17/629226817.db2.gz FHROUDTXBMIBHH-CQSZACIVSA-N 0 1 297.406 2.730 20 30 CFEDMN CC(=NNc1nccn1C)c1cc(Cl)ccc1O ZINC000790300450 629227728 /nfs/dbraw/zinc/22/77/28/629227728.db2.gz SXEZFGPHEAAQND-UHFFFAOYSA-N 0 1 264.716 2.615 20 30 CFEDMN Cc1cccc(-c2n[nH]cc2C=NNc2nccn2C)c1 ZINC000790305174 629228794 /nfs/dbraw/zinc/22/87/94/629228794.db2.gz CCOMLXWBMODFNB-UHFFFAOYSA-N 0 1 280.335 2.565 20 30 CFEDMN CC(=N[N-]c1[nH+]ccn1C)c1cc(F)c(F)c(F)c1 ZINC000790304130 629229101 /nfs/dbraw/zinc/22/91/01/629229101.db2.gz ZTWNSZPBWZJZKG-UHFFFAOYSA-N 0 1 268.242 2.674 20 30 CFEDMN N#CC[C@H]1CCCN(C[C@@H]2CN(c3ccccc3)C(=O)O2)C1 ZINC000852319707 634719790 /nfs/dbraw/zinc/71/97/90/634719790.db2.gz RCTSLWWXTNCYBZ-GDBMZVCRSA-N 0 1 299.374 2.637 20 30 CFEDMN N#Cc1ccc(F)c(COC(=O)c2ccc3cncn3c2)c1 ZINC000790817795 629266062 /nfs/dbraw/zinc/26/60/62/629266062.db2.gz XEWSRXAYOKDQHB-UHFFFAOYSA-N 0 1 295.273 2.702 20 30 CFEDMN CCOc1nc(C)ccc1C(=O)Nc1cc(C#N)ccc1O ZINC000790822663 629266689 /nfs/dbraw/zinc/26/66/89/629266689.db2.gz TVQCZCZMNFHCLH-UHFFFAOYSA-N 0 1 297.314 2.618 20 30 CFEDMN CCc1cc(C#N)ccc1OC(=O)c1ccc2cncn2c1 ZINC000791065213 629285996 /nfs/dbraw/zinc/28/59/96/629285996.db2.gz YUIXQUYYKAINGS-UHFFFAOYSA-N 0 1 291.310 2.988 20 30 CFEDMN N#CC(C(=O)CSC(F)F)c1nc2ccccc2[nH]1 ZINC000835037051 629332324 /nfs/dbraw/zinc/33/23/24/629332324.db2.gz OOOGKHARARADCH-SSDOTTSWSA-N 0 1 281.287 2.695 20 30 CFEDMN C#C[C@@H](CCC)NC(=O)[C@H](c1ccccc1)N(CC)CC ZINC000791741948 629350662 /nfs/dbraw/zinc/35/06/62/629350662.db2.gz OYQAQAWIYGAGEV-IRXDYDNUSA-N 0 1 286.419 2.988 20 30 CFEDMN CCC[C@@H]1CCC[C@H]1C(=O)[C@@H](C#N)C(=O)NC1CCCC1 ZINC000835073483 629370291 /nfs/dbraw/zinc/37/02/91/629370291.db2.gz MTTYHHIBNXWFTJ-BPLDGKMQSA-N 0 1 290.407 2.970 20 30 CFEDMN C=CCN(Cc1ccnc(Cl)c1)[C@@H](C)COC ZINC000852357867 634731939 /nfs/dbraw/zinc/73/19/39/634731939.db2.gz JIYCTTVETKVXGZ-NSHDSACASA-N 0 1 254.761 2.758 20 30 CFEDMN N#CC(C(=O)C[C@H]1CCCO1)c1nccc2ccccc21 ZINC000792094547 629397309 /nfs/dbraw/zinc/39/73/09/629397309.db2.gz FQPYCXVOUVIRFT-HIFRSBDPSA-N 0 1 280.327 2.980 20 30 CFEDMN N#C[C@H](C(=O)CCC1CC1)c1cnc2ccccc2n1 ZINC000792110210 629397957 /nfs/dbraw/zinc/39/79/57/629397957.db2.gz KYGVZKVZQXYLHH-LBPRGKRZSA-N 0 1 265.316 2.996 20 30 CFEDMN CC(C)[C@H](F)C(=O)[C@@H](C#N)c1cnc2ccccc2n1 ZINC000792110477 629398206 /nfs/dbraw/zinc/39/82/06/629398206.db2.gz QGLDISFJEMHAOT-HZMBPMFUSA-N 0 1 271.295 2.800 20 30 CFEDMN N#C[C@@H](C(=O)CC[C@@H]1CCCO1)c1cnc2ccccc2n1 ZINC000792111529 629399090 /nfs/dbraw/zinc/39/90/90/629399090.db2.gz TWYLPIDBHHEXFJ-QWHCGFSZSA-N 0 1 295.342 2.765 20 30 CFEDMN Cn1ccnc1NN=Cc1ccc2c(c1)CCCC2 ZINC000793052889 629480187 /nfs/dbraw/zinc/48/01/87/629480187.db2.gz YICJIOSMABVXNV-UHFFFAOYSA-N 0 1 254.337 2.745 20 30 CFEDMN CC1(CNN=Cc2cnc(N3CCCC3)nc2)CCCC1 ZINC000793083512 629485790 /nfs/dbraw/zinc/48/57/90/629485790.db2.gz AEFJBZYCRUWJGX-UHFFFAOYSA-N 0 1 287.411 2.581 20 30 CFEDMN Cc1ncsc1CN=Nc1cccc(Cl)n1 ZINC000793162145 629495139 /nfs/dbraw/zinc/49/51/39/629495139.db2.gz QZXLEAUOQBCHFQ-UHFFFAOYSA-N 0 1 252.730 2.946 20 30 CFEDMN C#CC[C@@H](OC(=O)c1cccc(-c2nnc[nH]2)c1)C(C)C ZINC000793165108 629495968 /nfs/dbraw/zinc/49/59/68/629495968.db2.gz SNNQCTJFHSOWQG-CQSZACIVSA-N 0 1 283.331 2.676 20 30 CFEDMN C[C@@H]1CN(Cc2ccccc2)CC1N=Nc1ncncc1F ZINC000793211218 629505267 /nfs/dbraw/zinc/50/52/67/629505267.db2.gz JEAGOYQFKOMIBE-GFCCVEGCSA-N 0 1 299.353 2.536 20 30 CFEDMN CC#CCCCCOC(=O)c1cccc(-c2nnc[nH]2)c1 ZINC000793225313 629509088 /nfs/dbraw/zinc/50/90/88/629509088.db2.gz XGKOYJCNRPMZKQ-UHFFFAOYSA-N 0 1 283.331 2.822 20 30 CFEDMN C=CCCCCC[C@H](C)NCc1nnnn1C1CC1 ZINC000793542756 629567478 /nfs/dbraw/zinc/56/74/78/629567478.db2.gz XBSITOBIIGGOCA-LBPRGKRZSA-N 0 1 263.389 2.623 20 30 CFEDMN CC[C@H](C)CC[C@@H](O)CC(=O)Nc1cc(C#N)ccc1O ZINC000793736102 629589684 /nfs/dbraw/zinc/58/96/84/629589684.db2.gz VCQLMALGVUGMEV-WCQYABFASA-N 0 1 290.363 2.780 20 30 CFEDMN CCC(CC)C(=O)C(C#N)C(=O)NCc1cccc(C)c1 ZINC000835339697 629641632 /nfs/dbraw/zinc/64/16/32/629641632.db2.gz GNUHFZXRUKAQOT-OAHLLOKOSA-N 0 1 286.375 2.756 20 30 CFEDMN C#CCN1CCC(C(=O)N(C)C(C)(C)c2ccccc2)CC1 ZINC000794420269 629645576 /nfs/dbraw/zinc/64/55/76/629645576.db2.gz SNDBQUJZQMTVCQ-UHFFFAOYSA-N 0 1 298.430 2.725 20 30 CFEDMN CCC[C@H](OC)C(=O)C(C#N)c1cnc2ccccc2n1 ZINC000835348035 629647238 /nfs/dbraw/zinc/64/72/38/629647238.db2.gz HYUUQOZDMFQGLU-ABAIWWIYSA-N 0 1 283.331 2.621 20 30 CFEDMN CC(=NNc1cncnc1)c1cnn(Cc2ccccc2)c1 ZINC000794976981 629714265 /nfs/dbraw/zinc/71/42/65/629714265.db2.gz SNKVCFFGSOBIKM-UHFFFAOYSA-N 0 1 292.346 2.558 20 30 CFEDMN Fc1cc(CN=Nc2cncnc2)ccc1Br ZINC000794976542 629714275 /nfs/dbraw/zinc/71/42/75/629714275.db2.gz MHEKWQAXIIJBKP-UHFFFAOYSA-N 0 1 295.115 2.824 20 30 CFEDMN CC(N=Nc1cncnc1)c1cnc2ccsc2c1 ZINC000794976976 629714318 /nfs/dbraw/zinc/71/43/18/629714318.db2.gz VALOAMLBFVMNKE-UHFFFAOYSA-N 0 1 269.333 2.922 20 30 CFEDMN CC(C)COc1ccc(C=NNc2cncnc2)cc1 ZINC000794978572 629715134 /nfs/dbraw/zinc/71/51/34/629715134.db2.gz JREJWVBEMJNXIC-UHFFFAOYSA-N 0 1 270.336 2.957 20 30 CFEDMN Clc1ccc2c(c1)C(=NNc1cncnc1)CC2 ZINC000794978787 629715460 /nfs/dbraw/zinc/71/54/60/629715460.db2.gz RKYUMUWVJLFDLD-UHFFFAOYSA-N 0 1 258.712 2.892 20 30 CFEDMN O=[N+]([O-])c1ccc(CN=Nc2cccc(F)n2)s1 ZINC000795006462 629722971 /nfs/dbraw/zinc/72/29/71/629722971.db2.gz JJTLHPOGNINDOF-UHFFFAOYSA-N 0 1 266.257 2.636 20 30 CFEDMN Cc1cc([N+](=O)[O-])ccc1C=NNc1cccc(F)n1 ZINC000795007994 629723398 /nfs/dbraw/zinc/72/33/98/629723398.db2.gz BWZNNMFQTJLZSY-UHFFFAOYSA-N 0 1 274.255 2.883 20 30 CFEDMN C[C@@H](CC(=O)[C@@H](C#N)C(=O)NC1CC1)C1CCCCC1 ZINC000102120098 629815374 /nfs/dbraw/zinc/81/53/74/629815374.db2.gz SFPSZYWCJOYJDL-SMDDNHRTSA-N 0 1 276.380 2.580 20 30 CFEDMN CCCCCCCN1CCOC[C@@H]1[C@@H]1CCCO1 ZINC000796341118 629906043 /nfs/dbraw/zinc/90/60/43/629906043.db2.gz OWNSVFYDOHVBCP-CABCVRRESA-N 0 1 255.402 2.837 20 30 CFEDMN C#C[C@H](NC/C=C/c1ccc(F)c(F)c1)[C@H]1CCCO1 ZINC000796354236 629907596 /nfs/dbraw/zinc/90/75/96/629907596.db2.gz XOTVOOIYCOSOTM-KADIJHKTSA-N 0 1 277.314 2.748 20 30 CFEDMN CC[C@H](C)[C@H](OC)C(=O)C(C#N)c1nc(C)cs1 ZINC000796619438 629941890 /nfs/dbraw/zinc/94/18/90/629941890.db2.gz OALIQHCGXJNEBS-PEXQALLHSA-N 0 1 266.366 2.689 20 30 CFEDMN C#CCN(CCC(=O)OC(C)(C)C)Cc1ccccc1 ZINC000796632580 629943150 /nfs/dbraw/zinc/94/31/50/629943150.db2.gz MIXOTBWQFVCNPO-UHFFFAOYSA-N 0 1 273.376 2.854 20 30 CFEDMN C#CCN(Cc1ccccc1)C[C@@H](O)COc1ccccc1 ZINC000796634225 629943800 /nfs/dbraw/zinc/94/38/00/629943800.db2.gz ZRRGJOYDXYOONV-GOSISDBHSA-N 0 1 295.382 2.562 20 30 CFEDMN N#CC(C(=O)[C@H](F)CC1CCCCC1)C(=O)N1CCCC1 ZINC000796634309 629943824 /nfs/dbraw/zinc/94/38/24/629943824.db2.gz YDBCWRLCQAASEP-ZIAGYGMSSA-N 0 1 294.370 2.626 20 30 CFEDMN CC1(C)CC(CC(=O)[C@H](C#N)C(=O)NC2CCCCC2)C1 ZINC000796743270 629958868 /nfs/dbraw/zinc/95/88/68/629958868.db2.gz ANHBFERKZUUKOM-AWEZNQCLSA-N 0 1 290.407 2.970 20 30 CFEDMN C=CC(C)(C)COC(=O)c1cccc(-c2nnc[nH]2)c1 ZINC000835720855 629983734 /nfs/dbraw/zinc/98/37/34/629983734.db2.gz DPJCOOVSYSJHMP-UHFFFAOYSA-N 0 1 271.320 2.841 20 30 CFEDMN CC(C)O[C@@H](C(=O)C(C#N)c1ccncn1)c1ccccc1 ZINC000797076468 630013832 /nfs/dbraw/zinc/01/38/32/630013832.db2.gz KDHKONXVZJBKKC-RHSMWYFYSA-N 0 1 295.342 2.819 20 30 CFEDMN N#C[C@H](C(=O)[C@@H]1CC[C@@H](C(F)(F)F)C1)c1ccncn1 ZINC000797316054 630055750 /nfs/dbraw/zinc/05/57/50/630055750.db2.gz YEIIQOGDRXRHQW-BBBLOLIVSA-N 0 1 283.253 2.631 20 30 CFEDMN CC(C)[C@@H](C(=O)OC[C@@H](C#N)Cc1cccs1)N(C)C ZINC000798844950 630245523 /nfs/dbraw/zinc/24/55/23/630245523.db2.gz FQABSPSYEXRTEI-OCCSQVGLSA-N 0 1 294.420 2.560 20 30 CFEDMN CC[C@H](O)CN1CCC[C@@H]1[C@H](C#N)c1ccccc1 ZINC000799303097 630294752 /nfs/dbraw/zinc/29/47/52/630294752.db2.gz BEGOSZGAZVWFRQ-ARFHVFGLSA-N 0 1 258.365 2.529 20 30 CFEDMN CCCCCCCN1CCN(c2nccnc2C)CC1 ZINC000799325631 630297968 /nfs/dbraw/zinc/29/79/68/630297968.db2.gz JDMVAFPVSCDDLY-UHFFFAOYSA-N 0 1 276.428 2.877 20 30 CFEDMN COC(=O)c1c(F)cccc1N=NCc1ccccc1O ZINC000800818131 630408154 /nfs/dbraw/zinc/40/81/54/630408154.db2.gz JGXMDTRSMUBHLD-UHFFFAOYSA-N 0 1 288.278 2.764 20 30 CFEDMN COC(=O)c1c(F)cccc1N=NCc1ccc(C)cn1 ZINC000800817564 630408175 /nfs/dbraw/zinc/40/81/75/630408175.db2.gz TWBYGGORCCUBSE-UHFFFAOYSA-N 0 1 287.294 2.762 20 30 CFEDMN C#C[C@H](NC[C@@H](OC)c1ccc(Cl)cc1)[C@H]1CCCO1 ZINC000801544158 630456077 /nfs/dbraw/zinc/45/60/77/630456077.db2.gz BOKPWXMKVMFOQA-ARFHVFGLSA-N 0 1 293.794 2.798 20 30 CFEDMN CCc1nc(C)c([C@@H](C)[N@@H+](C)CCO[C@H](C)C#N)s1 ZINC000801922455 630487938 /nfs/dbraw/zinc/48/79/38/630487938.db2.gz JUJAENNSYRNQJR-ZYHUDNBSSA-N 0 1 281.425 2.935 20 30 CFEDMN C#CCN1CCC[C@@H]1COC(=O)Cc1ccc(Cl)s1 ZINC000802076267 630501265 /nfs/dbraw/zinc/50/12/65/630501265.db2.gz XYWQBPITOVIGAD-LLVKDONJSA-N 0 1 297.807 2.585 20 30 CFEDMN N#C[C@H](C(=O)Cc1ccc(Cl)s1)c1ccncn1 ZINC000802147418 630507746 /nfs/dbraw/zinc/50/77/46/630507746.db2.gz GQSQAWTYSLXCKI-VIFPVBQESA-N 0 1 277.736 2.610 20 30 CFEDMN C#CCCN(CCOC)Cc1ccccc1OC1CC1 ZINC000852749264 634823063 /nfs/dbraw/zinc/82/30/63/634823063.db2.gz UPJOTHRUPBWAFK-UHFFFAOYSA-N 0 1 273.376 2.700 20 30 CFEDMN C#CCCN(CC#Cc1ccccc1Cl)CCOC ZINC000852751092 634824336 /nfs/dbraw/zinc/82/43/36/634824336.db2.gz OYLQHFWKPQEWOS-UHFFFAOYSA-N 0 1 275.779 2.663 20 30 CFEDMN CC(C)[C@@H](C(=O)OCCCCC(C)(C)C#N)N(C)C ZINC000803493285 630622934 /nfs/dbraw/zinc/62/29/34/630622934.db2.gz KOJYPADGQGNWBN-ZDUSSCGKSA-N 0 1 268.401 2.836 20 30 CFEDMN C=CCN1CCN(CN2CC[C@](C)(c3ccccc3)C2)C1=O ZINC000840027341 630661268 /nfs/dbraw/zinc/66/12/68/630661268.db2.gz YEMOXMSUDWFFAA-SFHVURJKSA-N 0 1 299.418 2.531 20 30 CFEDMN C#CCCCCCC(=O)NCc1ccc2nc[nH]c2c1 ZINC000854810168 635398229 /nfs/dbraw/zinc/39/82/29/635398229.db2.gz NTMQMJMTFHRFKY-UHFFFAOYSA-N 0 1 269.348 2.763 20 30 CFEDMN CC#CC(=O)N(C)[C@H](C)c1nc2ccc(Cl)cc2[nH]1 ZINC000854815848 635399790 /nfs/dbraw/zinc/39/97/90/635399790.db2.gz AFMMKLHNKVIWEX-SECBINFHSA-N 0 1 275.739 2.759 20 30 CFEDMN N#Cc1cc(NCCc2nc3ccc(F)cc3[nH]2)ccn1 ZINC000804535693 630690686 /nfs/dbraw/zinc/69/06/86/630690686.db2.gz UWDVAAXXRIVCLT-UHFFFAOYSA-N 0 1 281.294 2.623 20 30 CFEDMN C=CCCCCCCN[C@@H](C(N)=O)c1ccc(C#N)cc1 ZINC000806620361 630824316 /nfs/dbraw/zinc/82/43/16/630824316.db2.gz UJFMIVLKEMFAMI-MRXNPFEDSA-N 0 1 285.391 2.811 20 30 CFEDMN CCCCCCCCNC(=O)N[C@@H](C)c1n[nH]c(C)n1 ZINC000807022303 630853806 /nfs/dbraw/zinc/85/38/06/630853806.db2.gz BGPKNFMHTPLBNM-NSHDSACASA-N 0 1 281.404 2.834 20 30 CFEDMN C=CCC[C@@H](C(=O)NO[C@H](CO)C(C)C)c1ccccc1 ZINC000836894574 630910751 /nfs/dbraw/zinc/91/07/51/630910751.db2.gz FLMWVJHSCFNEAN-HZPDHXFCSA-N 0 1 291.391 2.801 20 30 CFEDMN COc1ccc(C=NNc2ccc(F)cn2)c(C)c1OC ZINC000807971803 630928070 /nfs/dbraw/zinc/92/80/70/630928070.db2.gz CIBSIKSCBQTHOF-UHFFFAOYSA-N 0 1 289.310 2.992 20 30 CFEDMN CC(C)n1cc(CN=Nc2cc(F)c(F)cc2F)nn1 ZINC000807973313 630928180 /nfs/dbraw/zinc/92/81/80/630928180.db2.gz OZKPQYFWTVDNCT-UHFFFAOYSA-N 0 1 283.257 2.722 20 30 CFEDMN CCSCC(N=Nc1cnn(C)c1)c1ccccc1 ZINC000807984586 630930749 /nfs/dbraw/zinc/93/07/49/630930749.db2.gz BLBJQVQTLCXSAF-UHFFFAOYSA-N 0 1 274.393 2.989 20 30 CFEDMN C#CCCCCCC(=O)N1CCN([C@H](C)CC)CC1 ZINC000837005953 630936459 /nfs/dbraw/zinc/93/64/59/630936459.db2.gz WSWHLUIHWGGYEG-OAHLLOKOSA-N 0 1 264.413 2.513 20 30 CFEDMN CN(C)[C@@H](CNC(=O)C#CC(C)(C)C)c1cccc(F)c1 ZINC000837317584 630995952 /nfs/dbraw/zinc/99/59/52/630995952.db2.gz OWECVLAFHFQXOC-HNNXBMFYSA-N 0 1 290.382 2.594 20 30 CFEDMN COc1cccc2c(C(=O)OCCC(C)(C)C#N)[nH]nc21 ZINC000808674865 631026136 /nfs/dbraw/zinc/02/61/36/631026136.db2.gz PPJNGKCOYPKQIK-UHFFFAOYSA-N 0 1 287.319 2.668 20 30 CFEDMN C=C(C)CCOC(=O)c1[nH]nc2c1cccc2OC ZINC000808672795 631026445 /nfs/dbraw/zinc/02/64/45/631026445.db2.gz GBSMNLBXAIUCQY-UHFFFAOYSA-N 0 1 260.293 2.695 20 30 CFEDMN N#C[C@@H](C(=O)Nc1ccccc1)C(=O)c1ocnc1C1CC1 ZINC000808979015 631061645 /nfs/dbraw/zinc/06/16/45/631061645.db2.gz DDJKPZSLRAUFIL-GFCCVEGCSA-N 0 1 295.298 2.513 20 30 CFEDMN N#CC(C(=O)Nc1ccccc1)C(=O)c1ocnc1C1CC1 ZINC000808979015 631061648 /nfs/dbraw/zinc/06/16/48/631061648.db2.gz DDJKPZSLRAUFIL-GFCCVEGCSA-N 0 1 295.298 2.513 20 30 CFEDMN CCCCCNC(=O)[C@@H](C#N)C(=O)CC1(C)CCCC1 ZINC000808978595 631061736 /nfs/dbraw/zinc/06/17/36/631061736.db2.gz OJJNCFSYBYTMNL-ZDUSSCGKSA-N 0 1 278.396 2.972 20 30 CFEDMN C=C[C@](C)(CC)C(=O)OCc1cc(O)ccc1[N+](=O)[O-] ZINC000837659993 631100221 /nfs/dbraw/zinc/10/02/21/631100221.db2.gz ZZZGTJNSICSVOI-CQSZACIVSA-N 0 1 279.292 2.946 20 30 CFEDMN C=C(C)CCc1noc(Cc2[nH]nc3c2CCCC3)n1 ZINC000809500657 631227882 /nfs/dbraw/zinc/22/78/82/631227882.db2.gz ORGJZIWKRYEWBT-UHFFFAOYSA-N 0 1 272.352 2.771 20 30 CFEDMN C#Cc1ccc(CN2CCc3ccc(O)cc3C2)cc1 ZINC000809549099 631231907 /nfs/dbraw/zinc/23/19/07/631231907.db2.gz NCTLHVOCKVUAGT-UHFFFAOYSA-N 0 1 263.340 2.932 20 30 CFEDMN C#Cc1ccc(CN2CCC([C@H](O)C(F)(F)F)CC2)cc1 ZINC000809585963 631241504 /nfs/dbraw/zinc/24/15/04/631241504.db2.gz FFQKQFJBNUONFO-HNNXBMFYSA-N 0 1 297.320 2.803 20 30 CFEDMN C#Cc1ccc(CN[C@@H](CO)c2cccc(F)c2)cc1 ZINC000809619008 631247984 /nfs/dbraw/zinc/24/79/84/631247984.db2.gz UDEUONUVJMLBSD-KRWDZBQOSA-N 0 1 269.319 2.630 20 30 CFEDMN C[C@@H](NCc1cnc([C@H](C)O)s1)c1cccc(C#N)c1 ZINC000809622866 631248501 /nfs/dbraw/zinc/24/85/01/631248501.db2.gz MZJRBZYDRYOSRR-MNOVXSKESA-N 0 1 287.388 2.919 20 30 CFEDMN C#Cc1ccc(CN[C@@H](C[S@@](C)=O)c2ccccc2)cc1 ZINC000809635646 631252584 /nfs/dbraw/zinc/25/25/84/631252584.db2.gz JJASEWVNDQSQLG-GHTZIAJQSA-N 0 1 297.423 2.877 20 30 CFEDMN C[C@@H](O)c1ncc(CN[C@H]2CCc3cc(C#N)ccc32)s1 ZINC000809656241 631257262 /nfs/dbraw/zinc/25/72/62/631257262.db2.gz SSUJIPAPOZDCAM-BMIGLBTASA-N 0 1 299.399 2.845 20 30 CFEDMN C#Cc1ccc(CN2C[C@@H](C)O[C@@H](C3CC3)C2)cc1 ZINC000809656820 631257731 /nfs/dbraw/zinc/25/77/31/631257731.db2.gz LLZPVNOXALSEET-CXAGYDPISA-N 0 1 255.361 2.667 20 30 CFEDMN C#C[C@H](C)NCc1cnn(Cc2ccccc2Cl)c1 ZINC000809684364 631261271 /nfs/dbraw/zinc/26/12/71/631261271.db2.gz ZUKPNZFYOIQBPC-LBPRGKRZSA-N 0 1 273.767 2.696 20 30 CFEDMN N#Cc1csc(CN[C@H]2Cc3ccc(Cl)cc3C2)n1 ZINC000810155622 631337170 /nfs/dbraw/zinc/33/71/70/631337170.db2.gz AMMVQTOGCKMONL-LBPRGKRZSA-N 0 1 289.791 2.925 20 30 CFEDMN CCC(N=Nc1cn[nH]c(=O)c1Cl)[C@H]1C[C@@H]1C ZINC000841617117 631432472 /nfs/dbraw/zinc/43/24/72/631432472.db2.gz VMFKSXAGGHPRPV-BQBZGAKWSA-N 0 1 254.721 2.670 20 30 CFEDMN CC(NNc1ccc2c(cc[nH]c2=O)c1)=C1CC1(F)F ZINC000841637486 631440667 /nfs/dbraw/zinc/44/06/67/631440667.db2.gz TUXLFIRAXMBSCU-LBPRGKRZSA-N 0 1 277.274 2.971 20 30 CFEDMN Cc1cc(C=NNc2cc(C(F)(F)F)ccn2)n(C)n1 ZINC000841640911 631441561 /nfs/dbraw/zinc/44/15/61/631441561.db2.gz RGILDRBRXRBIKE-UHFFFAOYSA-N 0 1 283.257 2.588 20 30 CFEDMN CC(C)(C)N1CC[C@@](F)(C(=O)OC2(CC#N)CCC2)C1 ZINC000810856758 631461357 /nfs/dbraw/zinc/46/13/57/631461357.db2.gz ZPQYZLAWEAKKQR-HNNXBMFYSA-N 0 1 282.359 2.578 20 30 CFEDMN C=CC[C@@H](CO)[NH2+][C@H](C)c1ccc(Cl)cc1[O-] ZINC000841753622 631466911 /nfs/dbraw/zinc/46/69/11/631466911.db2.gz MBOGLZWOIXXNQC-KOLCDFICSA-N 0 1 255.745 2.633 20 30 CFEDMN C=CCOCC[NH2+][C@@H](C)c1ccc(Cl)cc1[O-] ZINC000841753159 631467008 /nfs/dbraw/zinc/46/70/08/631467008.db2.gz KIDIDHAXALCDIU-JTQLQIEISA-N 0 1 255.745 2.899 20 30 CFEDMN C=C[C@@H](CCC(=O)[O-])[NH2+]Cc1c(O)ccc(Cl)c1F ZINC000841811876 631474557 /nfs/dbraw/zinc/47/45/57/631474557.db2.gz PZTVRSNKEAHBBK-QMMMGPOBSA-N 0 1 287.718 2.694 20 30 CFEDMN CC(C)(C)OC(=O)N[C@@H]1CCC[C@@H]1NCC1(C#N)CCC1 ZINC000841897931 631490206 /nfs/dbraw/zinc/49/02/06/631490206.db2.gz JGIJWXRZOYXPHP-QWHCGFSZSA-N 0 1 293.411 2.716 20 30 CFEDMN C=CCCCCCCCCNC(=O)N1CCNCC1 ZINC000841907228 631493144 /nfs/dbraw/zinc/49/31/44/631493144.db2.gz XSFVISRHRZQEQA-UHFFFAOYSA-N 0 1 267.417 2.518 20 30 CFEDMN C#C[C@H](CC)NCc1cc(O)cc(C(F)(F)F)c1 ZINC000811506066 631573807 /nfs/dbraw/zinc/57/38/07/631573807.db2.gz WOAWXSVOEMHOOW-LLVKDONJSA-N 0 1 257.255 2.912 20 30 CFEDMN CO[C@H](CC(C)C)C(=O)C(C#N)c1nc(C)cs1 ZINC000842281055 631578264 /nfs/dbraw/zinc/57/82/64/631578264.db2.gz IJASYDRRJUKKGJ-GHMZBOCLSA-N 0 1 266.366 2.689 20 30 CFEDMN CCO[C@@H](CC)C(=O)[C@@H](C#N)c1nc2cccc(C)c2[nH]1 ZINC000842308217 631584732 /nfs/dbraw/zinc/58/47/32/631584732.db2.gz SDSLXKMHSHPXOP-YPMHNXCESA-N 0 1 285.347 2.863 20 30 CFEDMN C[C@H]1C(=NOC2CCOCC2)CCN1Cc1ccccc1 ZINC000811648801 631592791 /nfs/dbraw/zinc/59/27/91/631592791.db2.gz QYFDFXFZGQRYDC-AWEZNQCLSA-N 0 1 288.391 2.832 20 30 CFEDMN C=CC[C@@H](OC(=O)[C@@H]1CC1[N+](=O)[O-])c1ccccc1 ZINC000842339863 631598579 /nfs/dbraw/zinc/59/85/79/631598579.db2.gz OQSNKPDZFFDQTN-JHJVBQTASA-N 0 1 261.277 2.512 20 30 CFEDMN C=CC[C@@H](CCc1ccccc1)OC(=O)[C@@H]1CC1[N+](=O)[O-] ZINC000842349533 631601569 /nfs/dbraw/zinc/60/15/69/631601569.db2.gz PWFRHEVMYZQWNM-RRFJBIMHSA-N 0 1 289.331 2.772 20 30 CFEDMN C=CC[C@H](CCc1ccccc1)OC(=O)[C@@H]1CC1[N+](=O)[O-] ZINC000842349531 631601931 /nfs/dbraw/zinc/60/19/31/631601931.db2.gz PWFRHEVMYZQWNM-RBSFLKMASA-N 0 1 289.331 2.772 20 30 CFEDMN CC(C)Cn1nccc1C=NNc1nc2ccccc2n1C ZINC000842523908 631651613 /nfs/dbraw/zinc/65/16/13/631651613.db2.gz CPIHRMQALZZBIC-UHFFFAOYSA-N 0 1 296.378 2.872 20 30 CFEDMN C[C@@H]1CC(N=NC23CC(C2)C3)CN1Cc1ccccc1 ZINC000842546957 631661724 /nfs/dbraw/zinc/66/17/24/631661724.db2.gz ZKFDHIYLYZFRIS-BZOOQXSSSA-N 0 1 269.392 2.779 20 30 CFEDMN C#CCON=C(C)c1cc(Br)c(F)cc1O ZINC000812232714 631669382 /nfs/dbraw/zinc/66/93/82/631669382.db2.gz KTRNGVGSYPIYDP-UHFFFAOYSA-N 0 1 286.100 2.668 20 30 CFEDMN COc1ncc(CN=Nc2cc(C#N)cc(Cl)n2)s1 ZINC000812227501 631670252 /nfs/dbraw/zinc/67/02/52/631670252.db2.gz FQTJLBLYRMGWQR-UHFFFAOYSA-N 0 1 293.739 2.518 20 30 CFEDMN COc1ncc(CN=Nc2cc(Cl)ccn2)s1 ZINC000812227701 631670488 /nfs/dbraw/zinc/67/04/88/631670488.db2.gz NRCVLIBLWHECGY-UHFFFAOYSA-N 0 1 268.729 2.646 20 30 CFEDMN COc1ncc(C=NNc2cccc(F)c2[N+](=O)[O-])s1 ZINC000812229627 631671490 /nfs/dbraw/zinc/67/14/90/631671490.db2.gz FEOLUTJIEKZVCV-UHFFFAOYSA-N 0 1 296.283 2.645 20 30 CFEDMN CC(C)OCCON=C1CCN(CCC(F)(F)F)CC1 ZINC000812237976 631675482 /nfs/dbraw/zinc/67/54/82/631675482.db2.gz PYIYQJGIDNJDAU-UHFFFAOYSA-N 0 1 296.333 2.832 20 30 CFEDMN C=CCCCN(C)CN1C[C@H](C2CCCC2)CC1=O ZINC000842597131 631675610 /nfs/dbraw/zinc/67/56/10/631675610.db2.gz WHGPJPPRFGRILD-OAHLLOKOSA-N 0 1 264.413 2.881 20 30 CFEDMN C#CC[C@@H]1CCCN(Cn2ccc(-c3nccs3)n2)C1 ZINC000842630070 631685396 /nfs/dbraw/zinc/68/53/96/631685396.db2.gz WRDBQXNBCUVMPT-CYBMUJFWSA-N 0 1 286.404 2.699 20 30 CFEDMN N#CC(C(=O)Nc1ccc(F)c(Cl)c1)C(=O)C1(F)CC1 ZINC000842684266 631706229 /nfs/dbraw/zinc/70/62/29/631706229.db2.gz AJJWFBWMMJOFQV-QMMMGPOBSA-N 0 1 298.676 2.629 20 30 CFEDMN C#CCOc1cccc(Cl)c1CN[C@H]1CO[C@@H](C)C1 ZINC000842773535 631736271 /nfs/dbraw/zinc/73/62/71/631736271.db2.gz ABTWRVJTSGRCMQ-NWDGAFQWSA-N 0 1 279.767 2.619 20 30 CFEDMN Cc1nc([C@@H](C)NCc2cccc(OCCCC#N)c2)n[nH]1 ZINC000813331333 631903801 /nfs/dbraw/zinc/90/38/01/631903801.db2.gz JHKNFRUWMIOCPP-GFCCVEGCSA-N 0 1 299.378 2.647 20 30 CFEDMN C#Cc1ccccc1CC(=O)Nc1ccc2nc[nH]c2c1 ZINC000813426827 631919975 /nfs/dbraw/zinc/91/99/75/631919975.db2.gz SLNBQTJOYKLGGO-UHFFFAOYSA-N 0 1 275.311 2.725 20 30 CFEDMN C#C[C@@H](NC(=O)c1c(C)n[nH]c1C(F)(F)F)C(C)(C)C ZINC000813774502 631957571 /nfs/dbraw/zinc/95/75/71/631957571.db2.gz FZTDCBSGOFAEOB-MRVPVSSYSA-N 0 1 287.285 2.515 20 30 CFEDMN N#Cc1ccc(O)c(NC(=O)/C=C/C2CCCC2)c1 ZINC000843842155 632065952 /nfs/dbraw/zinc/06/59/52/632065952.db2.gz GFVAUZLWTPALBQ-SOFGYWHQSA-N 0 1 256.305 2.949 20 30 CFEDMN CCc1[nH+]ccn1[C@H](C)CC(=O)Nc1cc(C#N)ccc1[O-] ZINC000843844307 632066173 /nfs/dbraw/zinc/06/61/73/632066173.db2.gz YVWYCKQKAKXJAC-LLVKDONJSA-N 0 1 298.346 2.613 20 30 CFEDMN C#CC[C@@H]1CCCN(C(=O)c2ccc(O)c(Cl)c2)C1 ZINC000844003833 632093586 /nfs/dbraw/zinc/09/35/86/632093586.db2.gz TZERWJPWPURKRU-LLVKDONJSA-N 0 1 277.751 2.921 20 30 CFEDMN OCc1ccc(O)c(CN=Nc2ccc3ccccc3n2)c1 ZINC000814697266 632110570 /nfs/dbraw/zinc/11/05/70/632110570.db2.gz GXFBCPNQKUOXFT-UHFFFAOYSA-N 0 1 293.326 2.879 20 30 CFEDMN CSCCCC=Nn1c(=O)c2ccccc2[nH]c1=S ZINC000814780738 632121801 /nfs/dbraw/zinc/12/18/01/632121801.db2.gz HGMAXKDFCULRTH-UHFFFAOYSA-N 0 1 293.417 2.662 20 30 CFEDMN c1cc2c(s1)CCCC2=NNc1ncnc2nc[nH]c21 ZINC000814814164 632130712 /nfs/dbraw/zinc/13/07/12/632130712.db2.gz ZPIJNTAPOFQWRB-UHFFFAOYSA-N 0 1 284.348 2.567 20 30 CFEDMN c1csc(CN=Nc2cnnc3ccccc23)n1 ZINC000814849397 632138164 /nfs/dbraw/zinc/13/81/64/632138164.db2.gz SZIVITZRMUTIBT-UHFFFAOYSA-N 0 1 255.306 2.532 20 30 CFEDMN CCCCCC[C@@H](C)NN=Cc1cnc(N(C)C)nc1 ZINC000814858557 632140453 /nfs/dbraw/zinc/14/04/53/632140453.db2.gz BSCLMALJQVKEGJ-CYBMUJFWSA-N 0 1 277.416 2.825 20 30 CFEDMN CCC(N=Nc1ccncc1Cl)c1cccc(N)c1 ZINC000814870103 632143317 /nfs/dbraw/zinc/14/33/17/632143317.db2.gz NIJPWXZRZUUHJO-UHFFFAOYSA-N 0 1 274.755 2.965 20 30 CFEDMN C[C@H](CC#N)NN=C1CC[C@@H]2CNc3cccc1c32 ZINC000814883092 632147403 /nfs/dbraw/zinc/14/74/03/632147403.db2.gz ADGVBSPZCIZKOO-GHMZBOCLSA-N 0 1 254.337 2.585 20 30 CFEDMN c1cc2c3c(c1)C(=NOC[C@@H]1CCOC1)CC[C@H]3CN2 ZINC000814912108 632161858 /nfs/dbraw/zinc/16/18/58/632161858.db2.gz JNZUUBFBTMQFHP-NEPJUHHUSA-N 0 1 272.348 2.747 20 30 CFEDMN Cn1cc(N=NCc2ncc(C(C)(C)C)s2)cn1 ZINC000814915485 632163497 /nfs/dbraw/zinc/16/34/97/632163497.db2.gz WNMIJYATOKHFMO-UHFFFAOYSA-N 0 1 263.370 2.620 20 30 CFEDMN Cn1ccnc1NN=C1CC(C)(C)Oc2cc(O)ccc21 ZINC000814919068 632164200 /nfs/dbraw/zinc/16/42/00/632164200.db2.gz KVZFGXBWVOIAQW-UHFFFAOYSA-N 0 1 286.335 2.503 20 30 CFEDMN C[C@H]1C(N=Nc2nccn2C)CCCN1Cc1ccccc1 ZINC000814918422 632164249 /nfs/dbraw/zinc/16/42/49/632164249.db2.gz PIUPQNFUYOUKQG-AWEZNQCLSA-N 0 1 297.406 2.873 20 30 CFEDMN Cn1ccnc1NN=C1CCOc2c(Cl)cccc21 ZINC000814918956 632164297 /nfs/dbraw/zinc/16/42/97/632164297.db2.gz JRAZSSQTTMBHDU-UHFFFAOYSA-N 0 1 276.727 2.672 20 30 CFEDMN CCC(=[NH+][N-]c1cncnc1)c1ccc(Cl)c(N)c1 ZINC000814927172 632168278 /nfs/dbraw/zinc/16/82/78/632168278.db2.gz ZPAKOSSDOHKTBA-UHFFFAOYSA-N 0 1 275.743 2.938 20 30 CFEDMN CC(=[NH+][N-]c1ncccc1F)c1cc([N+](=O)[O-])ccc1N ZINC000814926983 632168541 /nfs/dbraw/zinc/16/85/41/632168541.db2.gz RPVANNNKZPHHAV-UHFFFAOYSA-N 0 1 289.270 2.547 20 30 CFEDMN CC(N=Nc1cccc(Cl)n1)c1ccc(N)nc1 ZINC000814939669 632175516 /nfs/dbraw/zinc/17/55/16/632175516.db2.gz YFQKYCRBTCSGET-UHFFFAOYSA-N 0 1 261.716 2.548 20 30 CFEDMN CC(=NNc1ccc(F)c(F)c1F)c1c[nH]nc1C ZINC000814945677 632177243 /nfs/dbraw/zinc/17/72/43/632177243.db2.gz KZVUXAYWZUCTMS-UHFFFAOYSA-N 0 1 268.242 2.972 20 30 CFEDMN CN(C[C@@H](O)c1cccc(C#N)c1)C[C@@H]1CC1(Cl)Cl ZINC000844366478 632182350 /nfs/dbraw/zinc/18/23/50/632182350.db2.gz PKOHRHWMJAKPPG-QWHCGFSZSA-N 0 1 299.201 2.717 20 30 CFEDMN COc1ccc2cc(C(C)=NNc3cnnn3C)ccc2c1 ZINC000814982744 632185442 /nfs/dbraw/zinc/18/54/42/632185442.db2.gz NOGHTICMFUADAH-UHFFFAOYSA-N 0 1 295.346 2.813 20 30 CFEDMN C#CCCCN1CC(C)(C)O[C@@](C)(C(F)(F)F)C1 ZINC000815145669 632216435 /nfs/dbraw/zinc/21/64/35/632216435.db2.gz BPIRVQWKHORJHW-GFCCVEGCSA-N 0 1 263.303 2.832 20 30 CFEDMN Cc1ccc(C=NNC2=N[C@@H]3CCCC[C@H]3N2)c(Cl)c1 ZINC000844590439 632256236 /nfs/dbraw/zinc/25/62/36/632256236.db2.gz WCBHZYQQHVREIK-ZIAGYGMSSA-N 0 1 290.798 2.842 20 30 CFEDMN C=C(C)CON=Cc1ccc(N2CCOCC2)c(F)c1 ZINC000844617911 632264294 /nfs/dbraw/zinc/26/42/94/632264294.db2.gz VZPQGZUOTHWGBG-UHFFFAOYSA-N 0 1 278.327 2.589 20 30 CFEDMN C=C[C@H](C)ON=CC1(CN2CCOCC2)CCCCC1 ZINC000844621458 632266222 /nfs/dbraw/zinc/26/62/22/632266222.db2.gz HJUSJOWQBKTMBS-HNNXBMFYSA-N 0 1 280.412 2.846 20 30 CFEDMN C=C[C@@H](C)ON=C1CCN(Cc2ccccn2)C[C@@H]1C ZINC000844623122 632267098 /nfs/dbraw/zinc/26/70/98/632267098.db2.gz FGCLMCRKVASDMY-UONOGXRCSA-N 0 1 273.380 2.871 20 30 CFEDMN N#CCCCOC(=O)[C@H]1CCCCN1C1CCCC1 ZINC000815447257 632276024 /nfs/dbraw/zinc/27/60/24/632276024.db2.gz OVYWFYGMFWRYGM-CQSZACIVSA-N 0 1 264.369 2.630 20 30 CFEDMN CC[C@@H](C#N)OC(=O)[C@@H]1CCCCN1C1CCCC1 ZINC000815448062 632276645 /nfs/dbraw/zinc/27/66/45/632276645.db2.gz FGEGGHOUJYTUOI-KBPBESRZSA-N 0 1 264.369 2.629 20 30 CFEDMN N#CC(C(=O)[C@@H]1C[C@H]1C1CCC1)c1nnc2n1CCCCC2 ZINC000845445030 632435784 /nfs/dbraw/zinc/43/57/84/632435784.db2.gz FMZFBNPGOMJCTK-MJBXVCDLSA-N 0 1 298.390 2.617 20 30 CFEDMN Cc1cc(C(C#N)C(=O)[C@@H]2C[C@H]2C2CCC2)nc(C)n1 ZINC000845444248 632436391 /nfs/dbraw/zinc/43/63/91/632436391.db2.gz NZAHWDIIKKOJDD-MJBXVCDLSA-N 0 1 269.348 2.706 20 30 CFEDMN N#CC(C(=O)NC1CCCC1)C(=O)[C@@H]1C[C@H]1C1CCCC1 ZINC000845452770 632438248 /nfs/dbraw/zinc/43/82/48/632438248.db2.gz ZFKBWWXSVYLEBG-ZNMIVQPWSA-N 0 1 288.391 2.580 20 30 CFEDMN C=CCc1cc(CN2C[C@H](C)[C@H]2C)cc(OC)c1O ZINC000816650130 632504855 /nfs/dbraw/zinc/50/48/55/632504855.db2.gz VJXFQBPRHNRTRX-NWDGAFQWSA-N 0 1 261.365 2.970 20 30 CFEDMN C#Cc1cccc(NC(=O)[C@H]2C[C@@H](C)Cc3cn[nH]c32)c1 ZINC000816838439 632529025 /nfs/dbraw/zinc/52/90/25/632529025.db2.gz BGHCYAYYQVSNSS-NHYWBVRUSA-N 0 1 279.343 2.696 20 30 CFEDMN CC(C)OCCC(=O)C(C#N)=C(O)C1(c2ccccc2)CC1 ZINC000845836690 632577679 /nfs/dbraw/zinc/57/76/79/632577679.db2.gz BRECKCOQMLFAFK-HNNXBMFYSA-N 0 1 299.370 2.811 20 30 CFEDMN CCO[C@H](CC)C(O)=C(C#N)C(=O)C1(c2ccccc2)CC1 ZINC000845840037 632578339 /nfs/dbraw/zinc/57/83/39/632578339.db2.gz YNAYKZHJOBVVQO-LSDHHAIUSA-N 0 1 299.370 2.811 20 30 CFEDMN C=C(C)CC[C@@H](C)OC(=O)C(C)(C)NC(=O)C(F)(F)F ZINC000845866882 632586566 /nfs/dbraw/zinc/58/65/66/632586566.db2.gz QHLJBSQCXREKNG-SECBINFHSA-N 0 1 295.301 2.732 20 30 CFEDMN CC(C)(C)OC(=O)N1CC[C@@H](NCC2(C#N)CCCC2)C1 ZINC000846009944 632613297 /nfs/dbraw/zinc/61/32/97/632613297.db2.gz FYVUNHQFPBVGSR-CYBMUJFWSA-N 0 1 293.411 2.669 20 30 CFEDMN COc1ccc(N(C)CCN(C)Cc2ccc(C#N)o2)cc1 ZINC000846051938 632624212 /nfs/dbraw/zinc/62/42/12/632624212.db2.gz NETZOYBRNZGLCY-UHFFFAOYSA-N 0 1 299.374 2.728 20 30 CFEDMN C[C@H](C#N)Oc1ccc(CN2C[C@H]3[C@@H](C2)C3(F)F)cc1 ZINC000846113382 632636301 /nfs/dbraw/zinc/63/63/01/632636301.db2.gz XNSWMWDFEQMKKB-HONMWMINSA-N 0 1 278.302 2.674 20 30 CFEDMN C=CC[N@@H+](CCO[C@@H](CC)c1ccccc1)CC(=O)[O-] ZINC000846262724 632676935 /nfs/dbraw/zinc/67/69/35/632676935.db2.gz JNMQBZHGVHSRFJ-HNNXBMFYSA-N 0 1 277.364 2.727 20 30 CFEDMN C=CC[N@H+](CCO[C@@H](CC)c1ccccc1)CC(=O)[O-] ZINC000846262724 632676942 /nfs/dbraw/zinc/67/69/42/632676942.db2.gz JNMQBZHGVHSRFJ-HNNXBMFYSA-N 0 1 277.364 2.727 20 30 CFEDMN N#CC(C(=O)Nc1ccccc1)C(=O)[C@@H]1CC[C@H]2C[C@H]2C1 ZINC000817714874 632690162 /nfs/dbraw/zinc/69/01/62/632690162.db2.gz YJPKPTDSUTVNPO-XFMPKHEZSA-N 0 1 282.343 2.770 20 30 CFEDMN N#CC(C(=O)Nc1ccccc1Cl)C(=O)[C@H]1CC12CC2 ZINC000817713932 632690243 /nfs/dbraw/zinc/69/02/43/632690243.db2.gz IQJGWINSGTUJGM-NXEZZACHSA-N 0 1 288.734 2.787 20 30 CFEDMN N#C[C@@H](C(=O)[C@@H]1CC12CC2)c1cnc2ccccc2n1 ZINC000817731577 632696438 /nfs/dbraw/zinc/69/64/38/632696438.db2.gz PFYZVHMQJHSNRV-MNOVXSKESA-N 0 1 263.300 2.606 20 30 CFEDMN C=C(C)CONC(=O)Cc1nc(-c2cccs2)oc1C ZINC000846537433 632726121 /nfs/dbraw/zinc/72/61/21/632726121.db2.gz JVUPXHVQXIIBNB-UHFFFAOYSA-N 0 1 292.360 2.878 20 30 CFEDMN C=C[C@H](C)ONC(=O)Cc1nc(-c2ccccc2)oc1C ZINC000846542582 632730473 /nfs/dbraw/zinc/73/04/73/632730473.db2.gz AKISTNXVPNCKNR-NSHDSACASA-N 0 1 286.331 2.815 20 30 CFEDMN C=C[C@@H](C)ONC(=O)C(C)(C)c1cccc(F)c1 ZINC000846546036 632734222 /nfs/dbraw/zinc/73/42/22/632734222.db2.gz RXOVSGNPMOSKES-SNVBAGLBSA-N 0 1 251.301 2.726 20 30 CFEDMN C=C[C@@H](C)ONC(=O)[C@H](C)c1cn(C)c2ccccc12 ZINC000846547027 632735198 /nfs/dbraw/zinc/73/51/98/632735198.db2.gz AOXBKSQLICXGFG-VXGBXAGGSA-N 0 1 272.348 2.904 20 30 CFEDMN N#C[C@H]1CC[C@@H]([NH2+]Cc2c([O-])cccc2Cl)C1 ZINC000818230522 632816910 /nfs/dbraw/zinc/81/69/10/632816910.db2.gz KUXVDFPNUWMNNG-VHSXEESVSA-N 0 1 250.729 2.827 20 30 CFEDMN C=CCn1cc(CN[C@@H](C)c2ccc(C)c(C)c2O)nn1 ZINC000818348119 632836479 /nfs/dbraw/zinc/83/64/79/632836479.db2.gz ZAZVEZKSOJUEKB-ZDUSSCGKSA-N 0 1 286.379 2.637 20 30 CFEDMN C[C@@H](NC[C@H](O)CC(C)(C)C#N)c1c(F)cccc1F ZINC000856732933 635843315 /nfs/dbraw/zinc/84/33/15/635843315.db2.gz HXWGPKIFWMXQLN-GHMZBOCLSA-N 0 1 282.334 2.916 20 30 CFEDMN C#C[C@H]1CCCN(C[C@H](O)c2ccc(F)cc2Cl)C1 ZINC000847020956 632885651 /nfs/dbraw/zinc/88/56/51/632885651.db2.gz GXLDQXKZUWEWCR-NHYWBVRUSA-N 0 1 281.758 2.858 20 30 CFEDMN C#C[C@@H]1CCCN([C@@H](C)C(=O)N(CC)C2CCCCC2)C1 ZINC000847030263 632892694 /nfs/dbraw/zinc/89/26/94/632892694.db2.gz PSLVZUJGJQMKKE-JKSUJKDBSA-N 0 1 290.451 2.901 20 30 CFEDMN C#C[C@H]1CCCN(CC(=O)N[C@H](C)c2ccc(CC)cc2)C1 ZINC000847030757 632894326 /nfs/dbraw/zinc/89/43/26/632894326.db2.gz RVEVRAYZASCTAY-WBVHZDCISA-N 0 1 298.430 2.771 20 30 CFEDMN Cc1ccc(N2CCC[C@@H](NC[C@@H](C#N)CCC#N)C2)cc1 ZINC000819114796 632970716 /nfs/dbraw/zinc/97/07/16/632970716.db2.gz YEPSYZUJZRDVRK-IAGOWNOFSA-N 0 1 296.418 2.997 20 30 CFEDMN N#Cc1ccc([C@@H](O)CNCc2nc(C3CC3)cs2)cc1 ZINC000819171386 632995369 /nfs/dbraw/zinc/99/53/69/632995369.db2.gz HWVQJUOFYSPRCS-HNNXBMFYSA-N 0 1 299.399 2.715 20 30 CFEDMN N#CCCCCC(=O)OC[C@@H]1CCCN1Cc1ccco1 ZINC000847668704 633034360 /nfs/dbraw/zinc/03/43/60/633034360.db2.gz VSFCNOVRAZGDOI-AWEZNQCLSA-N 0 1 290.363 2.871 20 30 CFEDMN C#C[C@@H]1CCCN(C(=O)c2cc(-c3ccc(F)cc3)[nH]n2)C1 ZINC000848288146 633234592 /nfs/dbraw/zinc/23/45/92/633234592.db2.gz BNHFNRAHJZXJEP-GFCCVEGCSA-N 0 1 297.333 2.701 20 30 CFEDMN Clc1nccnc1N=NC1CCCN2CCCC[C@H]12 ZINC000848406309 633250613 /nfs/dbraw/zinc/25/06/13/633250613.db2.gz LSKYESXPFSXRGL-LLVKDONJSA-N 0 1 279.775 2.546 20 30 CFEDMN C#C[C@H]1CCCN(Cn2ccc(-c3ccc(F)cc3)n2)C1 ZINC000848492869 633266025 /nfs/dbraw/zinc/26/60/25/633266025.db2.gz HJJZWKOEQBRZGG-AWEZNQCLSA-N 0 1 283.350 2.992 20 30 CFEDMN C#C[C@H]1CCCN(Cn2ccc(-c3ccc(C#N)cc3)n2)C1 ZINC000848493049 633266293 /nfs/dbraw/zinc/26/62/93/633266293.db2.gz IYERCMCYZASIKI-HNNXBMFYSA-N 0 1 290.370 2.724 20 30 CFEDMN C#C[C@@H]1CCC[N@@H+](Cc2c([O-])ccc3ccncc32)C1 ZINC000848494593 633267494 /nfs/dbraw/zinc/26/74/94/633267494.db2.gz YDAOLPCDYRLHGJ-CYBMUJFWSA-N 0 1 266.344 2.786 20 30 CFEDMN C#C[C@@H]1CCC[N@H+](Cc2c([O-])ccc3ccncc32)C1 ZINC000848494593 633267497 /nfs/dbraw/zinc/26/74/97/633267497.db2.gz YDAOLPCDYRLHGJ-CYBMUJFWSA-N 0 1 266.344 2.786 20 30 CFEDMN Cn1c(Cl)ncc1CN[C@H]1CCc2cc(C#N)ccc21 ZINC000848550331 633287024 /nfs/dbraw/zinc/28/70/24/633287024.db2.gz JLJCTHWILKVSPR-AWEZNQCLSA-N 0 1 286.766 2.722 20 30 CFEDMN C#C[C@H](C)NCc1cn(-c2ccccc2Cl)nc1C ZINC000848910334 633394856 /nfs/dbraw/zinc/39/48/56/633394856.db2.gz JETFKBHCHSKJKJ-NSHDSACASA-N 0 1 273.767 2.945 20 30 CFEDMN COc1ccc(C(=O)/C=C\c2c(C3CC3)cnn2C)c(O)c1 ZINC000849246364 633589932 /nfs/dbraw/zinc/58/99/32/633589932.db2.gz HPUWZUBSFLTIRO-FPLPWBNLSA-N 0 1 298.342 2.908 20 30 CFEDMN C=C(C)C[C@H](C)C(=O)O[C@@H](C)c1n[nH]c(CC)n1 ZINC000849756586 633704996 /nfs/dbraw/zinc/70/49/96/633704996.db2.gz BWPKOACJFSGUSJ-UWVGGRQHSA-N 0 1 251.330 2.574 20 30 CFEDMN C=CC[C@@H](NCc1cnc2n1CCC2)c1ccncc1 ZINC000850137229 633851549 /nfs/dbraw/zinc/85/15/49/633851549.db2.gz LEJRAYPLDLQRGA-OAHLLOKOSA-N 0 1 268.364 2.631 20 30 CFEDMN C#CCOc1ccc(CNCc2c(C3CC3)cnn2C)cc1 ZINC000850316011 633939558 /nfs/dbraw/zinc/93/95/58/633939558.db2.gz XMPBQTWTTQSAFF-UHFFFAOYSA-N 0 1 295.386 2.599 20 30 CFEDMN Cn1c(Cl)ncc1CNC(C)(C)c1cccc(C#N)c1 ZINC000850356399 633953196 /nfs/dbraw/zinc/95/31/96/633953196.db2.gz PBYGUEVIEFKFNE-UHFFFAOYSA-N 0 1 288.782 2.970 20 30 CFEDMN C#CCOc1ccc(CN[C@@H]2C[C@H](O)c3ccccc32)cc1 ZINC000850371833 633962169 /nfs/dbraw/zinc/96/21/69/633962169.db2.gz MMYOIXSRQQHXOA-MOPGFXCFSA-N 0 1 293.366 2.967 20 30 CFEDMN CCCCCNC(=O)C(C#N)C(=O)C1CCC2(CC2)CC1 ZINC000850752589 634079688 /nfs/dbraw/zinc/07/96/88/634079688.db2.gz QLOFMWPUMOQKDF-CQSZACIVSA-N 0 1 290.407 2.972 20 30 CFEDMN COc1ccccc1NC(=O)C(C#N)C(=O)C1CC2(CC2)C1 ZINC000850760306 634081771 /nfs/dbraw/zinc/08/17/71/634081771.db2.gz XIPLHEGCTKIHDZ-LBPRGKRZSA-N 0 1 298.342 2.533 20 30 CFEDMN CC1(C)CC[C@@H]1C(=O)C(C#N)C(=O)Nc1ccccc1 ZINC000850759702 634082023 /nfs/dbraw/zinc/08/20/23/634082023.db2.gz MJXLEFKYSVJGIV-QWHCGFSZSA-N 0 1 270.332 2.770 20 30 CFEDMN N#CC(C(=O)NC1CCCC1)C(=O)[C@H]1CCCC2(CC2)C1 ZINC000850767664 634083764 /nfs/dbraw/zinc/08/37/64/634083764.db2.gz FGGOKKHJRPYNCG-JSGCOSHPSA-N 0 1 288.391 2.724 20 30 CFEDMN N#C[C@H](C(=O)C1CC2(CC2)C1)c1cnc2ccccc2n1 ZINC000850986023 634167220 /nfs/dbraw/zinc/16/72/20/634167220.db2.gz MKUFHAQGFFBQLY-LBPRGKRZSA-N 0 1 277.327 2.996 20 30 CFEDMN C#CCCN1CCN(c2cc(C(F)(F)F)cc(C)n2)CC1 ZINC000853264647 634955650 /nfs/dbraw/zinc/95/56/50/634955650.db2.gz LLFWPYSURSIKOQ-UHFFFAOYSA-N 0 1 297.324 2.554 20 30 CFEDMN C(=NNc1ccccn1)c1ccc(O[C@@H]2CCOC2)cc1 ZINC000853269233 634956567 /nfs/dbraw/zinc/95/65/67/634956567.db2.gz RRXWIJHLWSKSRW-OAHLLOKOSA-N 0 1 283.331 2.695 20 30 CFEDMN O=c1c2ccccc2[nH]c(=S)n1N=C[C@@H]1CC[C@@H]2C[C@@H]2C1 ZINC000853284203 634958501 /nfs/dbraw/zinc/95/85/01/634958501.db2.gz TXZTUMIGELQCRG-UTUOFQBUSA-N 0 1 299.399 2.955 20 30 CFEDMN FC(F)(F)c1cccc(NN=Cc2cnn3c2CCC3)n1 ZINC000853309478 634964613 /nfs/dbraw/zinc/96/46/13/634964613.db2.gz CSGWHJUOKSHHJH-UHFFFAOYSA-N 0 1 295.268 2.689 20 30 CFEDMN Cc1cccc2[nH]c(C=NNC3=N[C@@H]4CCCC[C@@H]4N3)cc21 ZINC000853324536 634969073 /nfs/dbraw/zinc/96/90/73/634969073.db2.gz JUBXCQUYPWGWRE-IYBDPMFKSA-N 0 1 295.390 2.670 20 30 CFEDMN Cc1nn(-c2ccncc2)cc1C=NN1CCCC[C@@H]1C ZINC000853380181 634987569 /nfs/dbraw/zinc/98/75/69/634987569.db2.gz PKIYURZXUNOUSR-ZDUSSCGKSA-N 0 1 283.379 2.784 20 30 CFEDMN CCn1ccnc1C(C)N=Nc1ccnc(Cl)c1 ZINC000853395441 634992104 /nfs/dbraw/zinc/99/21/04/634992104.db2.gz XOLLGVDOLWZEDG-UHFFFAOYSA-N 0 1 263.732 2.788 20 30 CFEDMN CCCn1nccc1C=NNc1ccc(Cl)cn1 ZINC000853434356 634998541 /nfs/dbraw/zinc/99/85/41/634998541.db2.gz DSMYNYRRTHWCFV-UHFFFAOYSA-N 0 1 263.732 2.788 20 30 CFEDMN C=CCCN(C)CN1CC[C@H](C2CCCCC2)C1=O ZINC000853509218 635022526 /nfs/dbraw/zinc/02/25/26/635022526.db2.gz WYBOUIRNLTTWGK-OAHLLOKOSA-N 0 1 264.413 2.881 20 30 CFEDMN C=C1C[C@H]2CC[C@@H](C1)N2CN1CC2(CCCC2)CC1=O ZINC000853597533 635044891 /nfs/dbraw/zinc/04/48/91/635044891.db2.gz AZABSZARSYXCCD-GASCZTMLSA-N 0 1 274.408 2.920 20 30 CFEDMN C=C1C[C@H]2CC[C@@H](C1)N2CN1C[C@H](c2cccnc2)CC1=O ZINC000853598947 635046092 /nfs/dbraw/zinc/04/60/92/635046092.db2.gz ZCSARRYXLUIKJL-ZACQAIPSSA-N 0 1 297.402 2.538 20 30 CFEDMN CC(C)[C@H](N)c1noc(CC2(C#N)CCCCC2)n1 ZINC000854133370 635222207 /nfs/dbraw/zinc/22/22/07/635222207.db2.gz ZPOJMDIKSZXJDB-LBPRGKRZSA-N 0 1 262.357 2.742 20 30 CFEDMN C#Cc1ccc(NC(=O)CCN2CC[C@@H](C)[C@@H](F)C2)cc1 ZINC000930244700 635481505 /nfs/dbraw/zinc/48/15/05/635481505.db2.gz OTWUFOFEFSTGTI-CJNGLKHVSA-N 0 1 288.366 2.676 20 30 CFEDMN C=CCCONC(=O)Cc1nc(-c2ccccc2)oc1C ZINC000856029582 635705537 /nfs/dbraw/zinc/70/55/37/635705537.db2.gz UUBDWTUFHBGERE-UHFFFAOYSA-N 0 1 286.331 2.816 20 30 CFEDMN C=C1C[C@H]2CC[C@@H](C1)N2C(=O)c1cc(C2CC2)[nH]n1 ZINC000856199530 635754545 /nfs/dbraw/zinc/75/45/45/635754545.db2.gz ACSJMLSXAQJODW-TXEJJXNPSA-N 0 1 257.337 2.610 20 30 CFEDMN C#CCCCCCC(=O)NC[C@@H]1CCN1Cc1ccccc1 ZINC000856358917 635796496 /nfs/dbraw/zinc/79/64/96/635796496.db2.gz VFHNQRARHFMEMK-SFHVURJKSA-N 0 1 298.430 2.961 20 30 CFEDMN C#C[C@@H]1CCCN(Cc2ccnn2CCc2ccccc2)C1 ZINC000857049714 635918106 /nfs/dbraw/zinc/91/81/06/635918106.db2.gz QMWRZBCOOJOHNF-QGZVFWFLSA-N 0 1 293.414 2.971 20 30 CFEDMN C#CC[C@@H](CCOC)Nc1cc(C)nc2ccc(F)cc21 ZINC000858856456 636359015 /nfs/dbraw/zinc/35/90/15/636359015.db2.gz KLICTKRWXIPCPQ-AWEZNQCLSA-N 0 1 286.350 2.945 20 30 CFEDMN C#CC[C@@H](COC)Nc1cc(C)nc2ccc(F)cc21 ZINC000858860522 636362847 /nfs/dbraw/zinc/36/28/47/636362847.db2.gz OMEDOTMEPYEKBM-ZDUSSCGKSA-N 0 1 272.323 2.554 20 30 CFEDMN C[C@H](NCCOC1CCOCC1)c1ccc(C#N)cc1F ZINC000859245809 636520433 /nfs/dbraw/zinc/52/04/33/636520433.db2.gz HEQIHXMWKPJRQX-LBPRGKRZSA-N 0 1 292.354 2.544 20 30 CFEDMN Cc1ccc(COC(=O)[C@H]2CCCc3[nH]ncc32)cc1C#N ZINC000859592638 636615770 /nfs/dbraw/zinc/61/57/70/636615770.db2.gz XHQUQXFPQFGNSM-AWEZNQCLSA-N 0 1 295.342 2.753 20 30 CFEDMN CCOC(CN1CCc2c(CC#N)cccc2C1)OCC ZINC000860107583 636789210 /nfs/dbraw/zinc/78/92/10/636789210.db2.gz JAEDFPYVYWTUEQ-UHFFFAOYSA-N 0 1 288.391 2.510 20 30 CFEDMN C[C@H](C#N)OCCNC1(c2c(F)cccc2F)CCC1 ZINC000860206031 636826583 /nfs/dbraw/zinc/82/65/83/636826583.db2.gz XDNJEKPGFITTIO-LLVKDONJSA-N 0 1 280.318 2.862 20 30 CFEDMN CCCCCCCC(=O)N1CCC(N2CCOCC2)CC1 ZINC000862215720 637287812 /nfs/dbraw/zinc/28/78/12/637287812.db2.gz RLTDUMZXCCEFBQ-UHFFFAOYSA-N 0 1 296.455 2.670 20 30 CFEDMN CCCCCCCNC(=O)c1ccc(CN(C)C)nc1 ZINC000862357228 637331571 /nfs/dbraw/zinc/33/15/71/637331571.db2.gz QHCQKJVKISGKNE-UHFFFAOYSA-N 0 1 277.412 2.843 20 30 CFEDMN C#CC[C@@H]1CCN(Cc2cnc3ccc(Cl)cn23)C1 ZINC000862445186 637386057 /nfs/dbraw/zinc/38/60/57/637386057.db2.gz NTDYRQFNLUQOJE-GFCCVEGCSA-N 0 1 273.767 2.833 20 30 CFEDMN C#CC[C@H]1CCN(C(=O)c2cnc(-c3ccccc3)[nH]2)C1 ZINC000862567159 637434264 /nfs/dbraw/zinc/43/42/64/637434264.db2.gz AAOHQVGOWARHKY-ZDUSSCGKSA-N 0 1 279.343 2.562 20 30 CFEDMN C#CC[C@H]1CCN(C(=O)c2cccc(C(F)(F)F)c2O)C1 ZINC000862579339 637445604 /nfs/dbraw/zinc/44/56/04/637445604.db2.gz VDRSHWAVKRMMCD-JTQLQIEISA-N 0 1 297.276 2.896 20 30 CFEDMN N#Cc1ccc(N=NC2C[N@H+]3C[C@@H]2CCC3)cc1Cl ZINC000863106530 637556807 /nfs/dbraw/zinc/55/68/07/637556807.db2.gz FPXXYLKJDHRGIM-NSHDSACASA-N 0 1 274.755 2.705 20 30 CFEDMN N#Cc1ccc(N=NC2CN3C[C@@H]2CCC3)cc1Cl ZINC000863106530 637556810 /nfs/dbraw/zinc/55/68/10/637556810.db2.gz FPXXYLKJDHRGIM-NSHDSACASA-N 0 1 274.755 2.705 20 30 CFEDMN COc1ccc(N=NC2CCCc3scnc32)nc1 ZINC000863108895 637558971 /nfs/dbraw/zinc/55/89/71/637558971.db2.gz UPIJMXGPBIRAEZ-UHFFFAOYSA-N 0 1 274.349 2.699 20 30 CFEDMN CSCc1cnc(C=NNc2ccncc2C)s1 ZINC000863157517 637571727 /nfs/dbraw/zinc/57/17/27/637571727.db2.gz BXHVGHOMFWIVCK-UHFFFAOYSA-N 0 1 278.406 2.577 20 30 CFEDMN COCCOc1ccc(C=NNc2cccc(C)n2)cc1 ZINC000863160299 637574197 /nfs/dbraw/zinc/57/41/97/637574197.db2.gz YMKIMCXYOBHMMT-UHFFFAOYSA-N 0 1 285.347 2.861 20 30 CFEDMN N#CC1(CNC[C@H](O)c2cccc(F)c2)CCCCC1 ZINC000863575583 637700235 /nfs/dbraw/zinc/70/02/35/637700235.db2.gz IWCGGSXTVUMYTJ-HNNXBMFYSA-N 0 1 276.355 2.923 20 30 CFEDMN CCCCCCNC(=O)C(C#N)C(=O)CC1CCC1 ZINC000076818423 650406326 /nfs/dbraw/zinc/40/63/26/650406326.db2.gz SUZVPWONDRJYJS-ZDUSSCGKSA-N 0 1 264.369 2.582 20 30 CFEDMN COc1cccc(CNCc2cc(C#N)ccc2N(C)C)c1 ZINC000865403837 638313295 /nfs/dbraw/zinc/31/32/95/638313295.db2.gz RCAAKGWMEAJJPN-UHFFFAOYSA-N 0 1 295.386 2.923 20 30 CFEDMN C=CCN1CC[C@H](NC(=O)[C@H]2CCCCC2(C)C)C1 ZINC001016361335 651231654 /nfs/dbraw/zinc/23/16/54/651231654.db2.gz YNCAOTMJXRSOFO-UONOGXRCSA-N 0 1 264.413 2.579 20 30 CFEDMN C#CCSCCNCc1nccc(C)c1Br ZINC000865470030 638357325 /nfs/dbraw/zinc/35/73/25/638357325.db2.gz DQUYENXDDUNZEF-UHFFFAOYSA-N 0 1 299.237 2.609 20 30 CFEDMN CCCCNc1cc(C)nc(N2CCC(C#N)CC2)n1 ZINC000865482917 638370295 /nfs/dbraw/zinc/37/02/95/638370295.db2.gz BDPCWTZTTAVIPP-UHFFFAOYSA-N 0 1 273.384 2.737 20 30 CFEDMN C=CC[C@H](CO)CNCc1c(Cl)cncc1Cl ZINC000865520829 638393378 /nfs/dbraw/zinc/39/33/78/638393378.db2.gz XZHIHKMFENULEC-VIFPVBQESA-N 0 1 275.179 2.663 20 30 CFEDMN N#CCC1(CNCc2cnc(Cl)c(F)c2)CC1 ZINC000865550941 638415960 /nfs/dbraw/zinc/41/59/60/638415960.db2.gz PAUAUIQKFYZYQM-UHFFFAOYSA-N 0 1 253.708 2.658 20 30 CFEDMN Cc1cc(C)c(CNCc2cc(C#N)ccc2N(C)C)cn1 ZINC000865592927 638447208 /nfs/dbraw/zinc/44/72/08/638447208.db2.gz DYJUFOVHPMCCND-UHFFFAOYSA-N 0 1 294.402 2.926 20 30 CFEDMN C[C@@H](N[C@@H](C)c1cccc(C#N)c1O)c1csnn1 ZINC000866374810 638808542 /nfs/dbraw/zinc/80/85/42/638808542.db2.gz NZAXEUZHQXTPSH-DTWKUNHWSA-N 0 1 274.349 2.527 20 30 CFEDMN N#C[C@H]1CC[C@H](NCc2noc3cc(F)ccc32)C1 ZINC000866614012 638854746 /nfs/dbraw/zinc/85/47/46/638854746.db2.gz WNODMGXIVGVKKY-ONGXEEELSA-N 0 1 259.284 2.749 20 30 CFEDMN C[C@@H]1CCC[C@@H](C)N1C(=O)[C@H]1NCCc2cc(C#N)ccc21 ZINC000867949382 638908168 /nfs/dbraw/zinc/90/81/68/638908168.db2.gz XBMGIXBZEYBZQD-XNJGSVPQSA-N 0 1 297.402 2.535 20 30 CFEDMN CC(C)CC[C@@H](C)NC(=O)[C@H]1NCCc2cc(C#N)ccc21 ZINC000867952907 638908567 /nfs/dbraw/zinc/90/85/67/638908567.db2.gz IPCHTXVHSVRHQS-DYVFJYSZSA-N 0 1 299.418 2.686 20 30 CFEDMN CC[C@H](C)C[C@H](C)NC(=O)[C@@H]1NCCc2cc(C#N)ccc21 ZINC000867953198 638908577 /nfs/dbraw/zinc/90/85/77/638908577.db2.gz PPJIHLYWUSMAJH-GDZNZVCISA-N 0 1 299.418 2.686 20 30 CFEDMN C[C@@H]1CCC[C@H](CC(=O)C(C#N)C(=O)Nc2ccccn2)C1 ZINC000122433089 639029032 /nfs/dbraw/zinc/02/90/32/639029032.db2.gz CSUPCGQXBZEHNR-HZSPNIEDSA-N 0 1 299.374 2.945 20 30 CFEDMN C=C[C@H](C)ONC(=O)[C@H]1Cc2ccc(Cl)cc21 ZINC000869154503 639051388 /nfs/dbraw/zinc/05/13/88/639051388.db2.gz UAQZWDMAZIKDSD-UFBFGSQYSA-N 0 1 251.713 2.602 20 30 CFEDMN N#CC(C(=O)Cc1ccoc1)c1nc2ccccc2[nH]1 ZINC000122694499 639338518 /nfs/dbraw/zinc/33/85/18/639338518.db2.gz POYSEXCWNMYEDU-NSHDSACASA-N 0 1 265.272 2.575 20 30 CFEDMN CC[C@@H](CC(=O)C(C#N)C(=O)N1CCCC1)C(C)(C)C ZINC000870132412 639526654 /nfs/dbraw/zinc/52/66/54/639526654.db2.gz GHQPYCVVRGYMDZ-STQMWFEESA-N 0 1 278.396 2.780 20 30 CFEDMN CCCCCCCN[C@H](C)c1nnnn1C1CC1 ZINC000191462894 650503322 /nfs/dbraw/zinc/50/33/22/650503322.db2.gz ONQVGKIHMKEHNX-LLVKDONJSA-N 0 1 251.378 2.629 20 30 CFEDMN CC(C)(C)[C@@H]1C[C@H]1C(=O)C(C#N)C(=O)NC1CCCCC1 ZINC000870136578 639527870 /nfs/dbraw/zinc/52/78/70/639527870.db2.gz LPQWTOLEXVOMAI-MGPQQGTHSA-N 0 1 290.407 2.826 20 30 CFEDMN C[C@@]1(C(=O)NOc2cccc(C#N)c2)CC=CCC1 ZINC000870689787 639772557 /nfs/dbraw/zinc/77/25/57/639772557.db2.gz BJRZLOJAIGKREX-OAHLLOKOSA-N 0 1 256.305 2.715 20 30 CFEDMN CCCCCCC[C@H](C)NCc1nc(N(C)C)no1 ZINC000191899142 650528153 /nfs/dbraw/zinc/52/81/53/650528153.db2.gz FGGWFQBPWOVYSH-LBPRGKRZSA-N 0 1 268.405 2.974 20 30 CFEDMN C#CCN(C)Cc1cccc(C(=O)OC(C)(C)C)c1 ZINC000192844859 650601708 /nfs/dbraw/zinc/60/17/08/650601708.db2.gz ZJHMUPZJHPIMMS-UHFFFAOYSA-N 0 1 259.349 2.707 20 30 CFEDMN C=CC[C@H](C)NC(=O)[C@H](N)c1cccc(Br)c1 ZINC000870888399 641107372 /nfs/dbraw/zinc/10/73/72/641107372.db2.gz GAKLTQIUCXWCDW-JOYOIKCWSA-N 0 1 297.196 2.530 20 30 CFEDMN CCCSCC(=O)Nc1nc2ccc(C#N)cc2[nH]1 ZINC000871070418 641184612 /nfs/dbraw/zinc/18/46/12/641184612.db2.gz KPMNSBSWINNZBY-UHFFFAOYSA-N 0 1 274.349 2.516 20 30 CFEDMN C[C@@H]1C[C@@H]1[C@H]1C[C@H]1C(=O)Nc1nc2ccc(C#N)cc2[nH]1 ZINC000871071454 641184771 /nfs/dbraw/zinc/18/47/71/641184771.db2.gz JXZGWBKTFKWFEI-SASUGWTJSA-N 0 1 280.331 2.665 20 30 CFEDMN N#Cc1ccc2nc(NC(=O)[C@@H]3CC[C@@H]4C[C@@H]4C3)[nH]c2c1 ZINC000871071205 641185369 /nfs/dbraw/zinc/18/53/69/641185369.db2.gz BFFUWRWUOJGGIY-IJLUTSLNSA-N 0 1 280.331 2.809 20 30 CFEDMN CCC[C@@H](C)C(=O)Nc1nc2ccc(C#N)cc2[nH]1 ZINC000871071186 641185454 /nfs/dbraw/zinc/18/54/54/641185454.db2.gz SKYIPBNYUGFVOJ-SECBINFHSA-N 0 1 256.309 2.809 20 30 CFEDMN CSC(C)(C)C(=O)Nc1nc2ccc(C#N)cc2[nH]1 ZINC000871073103 641187127 /nfs/dbraw/zinc/18/71/27/641187127.db2.gz SVILLASAWUTNFC-UHFFFAOYSA-N 0 1 274.349 2.515 20 30 CFEDMN N#CC1CCN(Cc2c(O)cccc2Cl)CC1 ZINC000123730553 641395752 /nfs/dbraw/zinc/39/57/52/641395752.db2.gz YQMQSPHAIHIISG-UHFFFAOYSA-N 0 1 250.729 2.781 20 30 CFEDMN N#CC1CC[NH+](Cc2c([O-])cccc2Cl)CC1 ZINC000123730553 641395761 /nfs/dbraw/zinc/39/57/61/641395761.db2.gz YQMQSPHAIHIISG-UHFFFAOYSA-N 0 1 250.729 2.781 20 30 CFEDMN C=CCNC(=S)N1CCC[C@H](c2cc(C(C)C)[nH]n2)C1 ZINC000871677876 641398560 /nfs/dbraw/zinc/39/85/60/641398560.db2.gz SLNJJWPGYWSZPY-LBPRGKRZSA-N 0 1 292.452 2.773 20 30 CFEDMN N#Cc1csc(CNc2ccc3c(n2)CCCC3)n1 ZINC000871865078 641488405 /nfs/dbraw/zinc/48/84/05/641488405.db2.gz RCXFTTVLRMMEBG-UHFFFAOYSA-N 0 1 270.361 2.901 20 30 CFEDMN Fc1ccc(CON=C2CCC[N@H+]3CCSC[C@@H]23)cc1 ZINC000872365581 641771247 /nfs/dbraw/zinc/77/12/47/641771247.db2.gz YHPVHQWLTGCSHU-HNNXBMFYSA-N 0 1 294.395 2.910 20 30 CFEDMN Fc1ccc(CON=C2CCCN3CCSC[C@@H]23)cc1 ZINC000872365581 641771251 /nfs/dbraw/zinc/77/12/51/641771251.db2.gz YHPVHQWLTGCSHU-HNNXBMFYSA-N 0 1 294.395 2.910 20 30 CFEDMN Cn1cc(N=NCc2nc(C(C)(C)C)cs2)cn1 ZINC000872369976 641775741 /nfs/dbraw/zinc/77/57/41/641775741.db2.gz RIARBEWWDVHXRH-UHFFFAOYSA-N 0 1 263.370 2.620 20 30 CFEDMN c1ccc2nc(CNN=C3CCN4CCC[C@@H]34)ccc2c1 ZINC000872410299 641799516 /nfs/dbraw/zinc/79/95/16/641799516.db2.gz WHFVPCPFKPOXEA-KRWDZBQOSA-N 0 1 280.375 2.549 20 30 CFEDMN Cc1cc(NN=C2CC(C)(C)Cc3occc32)nc(N)n1 ZINC000872420143 641804732 /nfs/dbraw/zinc/80/47/32/641804732.db2.gz KZSZHBZBKPLPSK-UHFFFAOYSA-N 0 1 285.351 2.749 20 30 CFEDMN C#Cc1cnc(N2CCC[C@H](c3cc(C(C)C)n[nH]3)C2)nc1 ZINC000872647629 641885075 /nfs/dbraw/zinc/88/50/75/641885075.db2.gz HGPVJYVOVTUEHO-AWEZNQCLSA-N 0 1 295.390 2.688 20 30 CFEDMN CC(C)c1cc([C@H]2CCCN(c3nccnc3C#N)C2)[nH]n1 ZINC000872648918 641885220 /nfs/dbraw/zinc/88/52/20/641885220.db2.gz QIJSZCGZBNNACT-LBPRGKRZSA-N 0 1 296.378 2.579 20 30 CFEDMN CC(C)c1cc([C@H]2CCCN(c3cncc(C#N)n3)C2)[nH]n1 ZINC000872649401 641886347 /nfs/dbraw/zinc/88/63/47/641886347.db2.gz ZLYJFDSXOOOBGQ-LBPRGKRZSA-N 0 1 296.378 2.579 20 30 CFEDMN Cc1nccnc1[C@@H](C)NCc1ccc(O[C@@H](C)C#N)cc1 ZINC000873187603 642056292 /nfs/dbraw/zinc/05/62/92/642056292.db2.gz XUFTZSHJDFVISX-GXTWGEPZSA-N 0 1 296.374 2.927 20 30 CFEDMN CCC[C@H](CC)C(=O)C(C#N)C(=O)Nc1ccccn1 ZINC000873499338 642223893 /nfs/dbraw/zinc/22/38/93/642223893.db2.gz PIYZTVUREIRMNY-RYUDHWBXSA-N 0 1 273.336 2.555 20 30 CFEDMN CCC[C@@H](CC)C(=O)C(C#N)C(=O)Nc1ccccn1 ZINC000873499336 642223995 /nfs/dbraw/zinc/22/39/95/642223995.db2.gz PIYZTVUREIRMNY-NEPJUHHUSA-N 0 1 273.336 2.555 20 30 CFEDMN N#CCOc1cccc(NC(=O)[C@@H]2CCN2C2CCCC2)c1 ZINC000874069782 642333725 /nfs/dbraw/zinc/33/37/25/642333725.db2.gz JCGOICVWFLNSMA-INIZCTEOSA-N 0 1 299.374 2.544 20 30 CFEDMN COc1ccc(CNCc2cccc3c2OCO3)cc1C#N ZINC000124994918 642379936 /nfs/dbraw/zinc/37/99/36/642379936.db2.gz OFVKKWVPOZRZFR-UHFFFAOYSA-N 0 1 296.326 2.585 20 30 CFEDMN C#CCOc1ccc(NC(=O)[C@@H]2CCN2C2CCCC2)cc1 ZINC000874445975 642386967 /nfs/dbraw/zinc/38/69/67/642386967.db2.gz SVNIIAZQEPMAQE-KRWDZBQOSA-N 0 1 298.386 2.654 20 30 CFEDMN C=C[C@@H]1OCC[C@H]1C(=O)Nc1nc2ccc(Cl)cc2[nH]1 ZINC000874691492 642452057 /nfs/dbraw/zinc/45/20/57/642452057.db2.gz ZUOBDDVWESSNNW-SKDRFNHKSA-N 0 1 291.738 2.746 20 30 CFEDMN C[C@H](CCC#N)CN(C)Cc1nc2ccccc2c(=O)[nH]1 ZINC000876531282 642908274 /nfs/dbraw/zinc/90/82/74/642908274.db2.gz BDVWBNWKLZANCR-GFCCVEGCSA-N 0 1 284.363 2.707 20 30 CFEDMN C#CCCCCCCN1CCc2ccccc2[C@H]1C(N)=O ZINC000876650360 642958778 /nfs/dbraw/zinc/95/87/78/642958778.db2.gz CJRFLULOUQZWCO-KRWDZBQOSA-N 0 1 284.403 2.655 20 30 CFEDMN C[C@@H](CCC#N)CN1CCN(C(=O)OC(C)(C)C)[C@@H](C)C1 ZINC000876724163 642984798 /nfs/dbraw/zinc/98/47/98/642984798.db2.gz PDYUVHHMCNGORI-KBPBESRZSA-N 0 1 295.427 2.867 20 30 CFEDMN CN(C)c1ccc(C#N)cc1CN(C)CCOC(C)(C)C ZINC000876777155 643006228 /nfs/dbraw/zinc/00/62/28/643006228.db2.gz KCMDNAANCFSVNT-UHFFFAOYSA-N 0 1 289.423 2.871 20 30 CFEDMN CCCCOCCNCc1cc(C#N)cnc1Cl ZINC000876987117 643093490 /nfs/dbraw/zinc/09/34/90/643093490.db2.gz SJHZXYGSCHSMKQ-UHFFFAOYSA-N 0 1 267.760 2.513 20 30 CFEDMN CCCCCCCNC(=O)[C@@H]1NCCc2cc(C#N)ccc21 ZINC000876989044 643095652 /nfs/dbraw/zinc/09/56/52/643095652.db2.gz SGWGKFCTZAEPJQ-QGZVFWFLSA-N 0 1 299.418 2.832 20 30 CFEDMN C=CC(C)(C)CCCNC(=O)[C@@H](N)c1cccc(OC)c1 ZINC000877303809 643227451 /nfs/dbraw/zinc/22/74/51/643227451.db2.gz NDCYKTWRNQMJFU-HNNXBMFYSA-N 0 1 290.407 2.804 20 30 CFEDMN C=CCN(C)Cc1ccc(C(=O)OC)c(Br)c1 ZINC000877426642 643266372 /nfs/dbraw/zinc/26/63/72/643266372.db2.gz NYJUZLUWQXRNOH-UHFFFAOYSA-N 0 1 298.180 2.854 20 30 CFEDMN CCC[C@]1(CO)CCCN1Cc1cc(C#N)cnc1Cl ZINC000877479887 643296988 /nfs/dbraw/zinc/29/69/88/643296988.db2.gz HJPOJGHJQYOURR-OAHLLOKOSA-N 0 1 293.798 2.734 20 30 CFEDMN C#CCCCCCCN(CC)Cc1ccn(CC#C)n1 ZINC000877485355 643300779 /nfs/dbraw/zinc/30/07/79/643300779.db2.gz REVUYVYGOMDISC-UHFFFAOYSA-N 0 1 271.408 2.922 20 30 CFEDMN CC[C@H](C#N)OC(=O)c1[nH]c(-c2cccc(OC)c2)nc1C ZINC000089240290 650831086 /nfs/dbraw/zinc/83/10/86/650831086.db2.gz GQTWVOYXUGLUFJ-GFCCVEGCSA-N 0 1 299.330 2.853 20 30 CFEDMN C[N@@H+](Cc1ccc(F)c(F)c1[O-])CC(C)(C)C#N ZINC000877548794 643349576 /nfs/dbraw/zinc/34/95/76/643349576.db2.gz BNMNBFZJZDUPJT-UHFFFAOYSA-N 0 1 254.280 2.652 20 30 CFEDMN C#CCCCCCCN1CC[S@@](=O)C(C)(C)CC1 ZINC000877569862 643367955 /nfs/dbraw/zinc/36/79/55/643367955.db2.gz BVMRYGNHRKPFEZ-GOSISDBHSA-N 0 1 269.454 2.803 20 30 CFEDMN CNC(=O)CN(Cc1ccccc1)CC(C)(C)CCC#N ZINC000877771949 643551586 /nfs/dbraw/zinc/55/15/86/643551586.db2.gz HFKSHSRKAXSDQV-UHFFFAOYSA-N 0 1 287.407 2.565 20 30 CFEDMN CC(=O)[C@@](C#N)(CCN1CCCCC1)c1ccccc1 ZINC000877944823 643657521 /nfs/dbraw/zinc/65/75/21/643657521.db2.gz HZZNUEOETBDLGJ-KRWDZBQOSA-N 0 1 270.376 2.913 20 30 CFEDMN C=C(C)CN(CC)C(=O)[C@@H]1c2cn[nH]c2CC[C@H]1C ZINC000878007172 643690940 /nfs/dbraw/zinc/69/09/40/643690940.db2.gz NQBFBZKHWQBZFL-RISCZKNCSA-N 0 1 261.369 2.500 20 30 CFEDMN C=CC[C@@H](C(=O)OC)N1CC[C@H](c2ccccc2)C1 ZINC000878014110 643693342 /nfs/dbraw/zinc/69/33/42/643693342.db2.gz IBKQBXDVBBLCTH-GJZGRUSLSA-N 0 1 259.349 2.594 20 30 CFEDMN N#CC1CCN(CCc2cccc3c2OC(F)(F)O3)CC1 ZINC000878016819 643694323 /nfs/dbraw/zinc/69/43/23/643694323.db2.gz XSXVEODPUULESN-UHFFFAOYSA-N 0 1 294.301 2.786 20 30 CFEDMN C=CC[C@H](C)N1CCN(C(=O)c2ccc(F)cc2F)CC1 ZINC000878038943 643705983 /nfs/dbraw/zinc/70/59/83/643705983.db2.gz UOWKWFCJHCBAHI-LBPRGKRZSA-N 0 1 294.345 2.687 20 30 CFEDMN N#CC(C(=O)Nc1ccccc1)C(=O)[C@H]1[C@@H]2CCCC[C@@H]21 ZINC000246477242 650870189 /nfs/dbraw/zinc/87/01/89/650870189.db2.gz LAHUOOOSEREKAO-LJISPDSOSA-N 0 1 282.343 2.770 20 30 CFEDMN C=CC[C@@H](C)N1CCN([C@H](C)C(F)(F)F)CC1 ZINC000878167238 643773185 /nfs/dbraw/zinc/77/31/85/643773185.db2.gz CMJLQRHRFKXHOS-GHMZBOCLSA-N 0 1 250.308 2.519 20 30 CFEDMN CC(C)[C@@H](C#N)N1CCN(CC[C@H]2CCCC2(F)F)CC1 ZINC000878310342 643832467 /nfs/dbraw/zinc/83/24/67/643832467.db2.gz KJSXRWKUOJTOEE-HUUCEWRRSA-N 0 1 299.409 2.978 20 30 CFEDMN C=CC[C@H](C(=O)OC)N1CC[C@H](COc2ccccc2)C1 ZINC000878391584 643869699 /nfs/dbraw/zinc/86/96/99/643869699.db2.gz OCFJAPKRABLKTD-GOEBONIOSA-N 0 1 289.375 2.505 20 30 CFEDMN N#Cc1ccc(CN2CCC[C@H](c3ccncc3)C2)o1 ZINC000878614937 643958807 /nfs/dbraw/zinc/95/88/07/643958807.db2.gz TULWPAPZMFOYNU-AWEZNQCLSA-N 0 1 267.332 2.926 20 30 CFEDMN C[C@H](CC#N)NC[C@H](O)Cc1ccc(C(F)(F)F)cc1 ZINC000878821382 644039724 /nfs/dbraw/zinc/03/97/24/644039724.db2.gz XZVBPXVHLGAWDU-ZWNOBZJWSA-N 0 1 286.297 2.501 20 30 CFEDMN COC(=O)c1cc(CN2CCC[C@@H](CC#N)C2)ccc1C ZINC000878886829 644061129 /nfs/dbraw/zinc/06/11/29/644061129.db2.gz PUSGRXWTDGYTLM-AWEZNQCLSA-N 0 1 286.375 2.907 20 30 CFEDMN C=CC[C@H](C)N1C[C@@H](C)O[C@@H](CC(F)(F)F)C1 ZINC000878997723 644105613 /nfs/dbraw/zinc/10/56/13/644105613.db2.gz JPUHOVKTYWMPOI-AXFHLTTASA-N 0 1 251.292 2.993 20 30 CFEDMN N#Cc1ccc(O)c(NC(=O)c2cnc(CC3CC3)s2)c1 ZINC000879065665 644131166 /nfs/dbraw/zinc/13/11/66/644131166.db2.gz IKLYYHWCSHQAHF-UHFFFAOYSA-N 0 1 299.355 2.925 20 30 CFEDMN C=CC(C)(C)CC(=O)Nc1cc(CN(C)C)ccn1 ZINC000879085717 644137542 /nfs/dbraw/zinc/13/75/42/644137542.db2.gz QMVJMVKZRGYZQU-UHFFFAOYSA-N 0 1 261.369 2.684 20 30 CFEDMN CC(=O)Nc1cccc2c1CN([C@H]1CC[C@H](C#N)C1)CC2 ZINC000879237698 644184784 /nfs/dbraw/zinc/18/47/84/644184784.db2.gz NTTKFWKZUFMNDF-ZFWWWQNUSA-N 0 1 283.375 2.695 20 30 CFEDMN N#Cc1cnccc1CN1CCC[C@@H]1[C@@H](O)c1ccccc1 ZINC000879245524 644192049 /nfs/dbraw/zinc/19/20/49/644192049.db2.gz KRVHGTXUBZGFSH-MSOLQXFVSA-N 0 1 293.370 2.651 20 30 CFEDMN CO[C@H]1CC[C@H](C)N(CC#Cc2ccc(F)cc2)C1 ZINC000879320942 644226273 /nfs/dbraw/zinc/22/62/73/644226273.db2.gz KEPYWGUASURRKC-BBRMVZONSA-N 0 1 261.340 2.677 20 30 CFEDMN C=CC(C)(C)CC(=O)N1C[C@@H](C)N(CC)C[C@@H]1C ZINC000879346996 644239958 /nfs/dbraw/zinc/23/99/58/644239958.db2.gz NCBOCKYYZFNFQL-OLZOCXBDSA-N 0 1 252.402 2.530 20 30 CFEDMN C=C(Br)CN1CC[C@H](O)[C@@H]2CCCC[C@@H]21 ZINC000879417338 644263906 /nfs/dbraw/zinc/26/39/06/644263906.db2.gz XAULSMROOZMLSS-WOPDTQHZSA-N 0 1 274.202 2.520 20 30 CFEDMN C=C(CC)C[N@@H+]1CCN[C@@H](c2cccc(OC)c2)C1 ZINC000879523898 644303144 /nfs/dbraw/zinc/30/31/44/644303144.db2.gz HGRJLZRKQNQAIK-MRXNPFEDSA-N 0 1 260.381 2.608 20 30 CFEDMN CC(C)OC1CC(N2CCN(c3ccc(C#N)cc3)CC2)C1 ZINC000879586230 644341547 /nfs/dbraw/zinc/34/15/47/644341547.db2.gz IJHZBCLWOMAURW-UHFFFAOYSA-N 0 1 299.418 2.636 20 30 CFEDMN N#CCC1(CN2Cc3cccnc3N3CCC[C@H]3C2)CC1 ZINC000879692204 644384752 /nfs/dbraw/zinc/38/47/52/644384752.db2.gz QFCJSPXLRVHVHA-HNNXBMFYSA-N 0 1 282.391 2.560 20 30 CFEDMN CC(C)(C)OC(=O)N1CC[C@H]2[C@@H]1CCC[N@H+]2CCCC#N ZINC000879755453 644412858 /nfs/dbraw/zinc/41/28/58/644412858.db2.gz UAKQMNVUSUXXQH-KBPBESRZSA-N 0 1 293.411 2.764 20 30 CFEDMN CC(C)(C)OC(=O)N1CC[C@H]2[C@@H]1CCCN2CCCC#N ZINC000879755453 644412862 /nfs/dbraw/zinc/41/28/62/644412862.db2.gz UAKQMNVUSUXXQH-KBPBESRZSA-N 0 1 293.411 2.764 20 30 CFEDMN CC(C)(C)OC(=O)N1CC[C@@H]2[C@@H]1CCC[N@H+]2CCCC#N ZINC000879755454 644413020 /nfs/dbraw/zinc/41/30/20/644413020.db2.gz UAKQMNVUSUXXQH-KGLIPLIRSA-N 0 1 293.411 2.764 20 30 CFEDMN CC(C)(C)OC(=O)N1CC[C@@H]2[C@@H]1CCCN2CCCC#N ZINC000879755454 644413023 /nfs/dbraw/zinc/41/30/23/644413023.db2.gz UAKQMNVUSUXXQH-KGLIPLIRSA-N 0 1 293.411 2.764 20 30 CFEDMN CC[N@@H+](Cc1cnn(C)c1)Cc1ccc(O[C@@H](C)C#N)cc1 ZINC000092437810 650920534 /nfs/dbraw/zinc/92/05/34/650920534.db2.gz BUHUAPOOOWDTLO-AWEZNQCLSA-N 0 1 298.390 2.733 20 30 CFEDMN CCN(Cc1cnn(C)c1)Cc1ccc(O[C@@H](C)C#N)cc1 ZINC000092437810 650920535 /nfs/dbraw/zinc/92/05/35/650920535.db2.gz BUHUAPOOOWDTLO-AWEZNQCLSA-N 0 1 298.390 2.733 20 30 CFEDMN CCCCCCCCN1CC[C@@H]2CS(=O)(=O)C[C@@H]2C1 ZINC000879934159 644465701 /nfs/dbraw/zinc/46/57/01/644465701.db2.gz YLANOHYXFABQFQ-CABCVRRESA-N 0 1 287.469 2.713 20 30 CFEDMN C=C(CNC(=O)[C@H]1c2cn[nH]c2CC[C@H]1C)c1ccccc1 ZINC000879995202 644485956 /nfs/dbraw/zinc/48/59/56/644485956.db2.gz ANURCMJBIOTZCZ-SJKOYZFVSA-N 0 1 295.386 2.905 20 30 CFEDMN CCCCCCCC(=O)NC[C@@H]1CN(CC(C)C)CCO1 ZINC000248248129 650927874 /nfs/dbraw/zinc/92/78/74/650927874.db2.gz RFWZCPXMFXYETC-MRXNPFEDSA-N 0 1 298.471 2.820 20 30 CFEDMN C[C@@H]1CN(CC2(CC#N)CC2)CC[C@@H](C(F)(F)F)O1 ZINC000880064651 644520553 /nfs/dbraw/zinc/52/05/53/644520553.db2.gz ONCLGMGJCGACIY-MNOVXSKESA-N 0 1 276.302 2.722 20 30 CFEDMN N#Cc1ccc(CN[C@@]2(c3ccccc3)C[C@@H](O)C2)s1 ZINC000880221243 644586426 /nfs/dbraw/zinc/58/64/26/644586426.db2.gz BGWATMDWSKQEJW-AKAXFMLLSA-N 0 1 284.384 2.760 20 30 CFEDMN C[C@@H]1CCc2[nH]ncc2[C@H]1C(=O)Nc1cccc(CC#N)c1 ZINC000880234939 644596265 /nfs/dbraw/zinc/59/62/65/644596265.db2.gz WNZGYVKSKKFDHE-BZNIZROVSA-N 0 1 294.358 2.780 20 30 CFEDMN C[C@@H](C#N)Oc1ccc(CN(C)Cc2cccn2C)cc1 ZINC000093584507 650942795 /nfs/dbraw/zinc/94/27/95/650942795.db2.gz JORWIVMITBZDIK-AWEZNQCLSA-N 0 1 283.375 2.948 20 30 CFEDMN C#CCC1(O)CCN(Cc2cccc(C(F)F)c2)CC1 ZINC000880484090 644732089 /nfs/dbraw/zinc/73/20/89/644732089.db2.gz OPZPAHAEGGVTPI-UHFFFAOYSA-N 0 1 279.330 2.974 20 30 CFEDMN C=CC(C)(C)CC(=O)N1CCN(C)[C@H](C(C)(C)C)C1 ZINC000880612850 644786239 /nfs/dbraw/zinc/78/62/39/644786239.db2.gz KKWULVPPARTLLI-ZDUSSCGKSA-N 0 1 266.429 2.777 20 30 CFEDMN C=CC[C@@H]1CCCN(C(=O)[C@H]2c3cn[nH]c3CC[C@H]2C)C1 ZINC000880668936 644801526 /nfs/dbraw/zinc/80/15/26/644801526.db2.gz ATTKJGSLIXOUQY-XJKCOSOUSA-N 0 1 287.407 2.890 20 30 CFEDMN C[C@@H](c1ccccc1)N1CCN(c2ccncc2C#N)CC1 ZINC000882811221 645469605 /nfs/dbraw/zinc/46/96/05/645469605.db2.gz PDJSJCKUGVOJKQ-HNNXBMFYSA-N 0 1 292.386 2.836 20 30 CFEDMN COc1cc(/C=C/C(=O)c2ccco2)cc([N+](=O)[O-])c1O ZINC000130868668 645585655 /nfs/dbraw/zinc/58/56/55/645585655.db2.gz CJMHCAPCHIAIRN-SNAWJCMRSA-N 0 1 289.243 2.798 20 30 CFEDMN CC#CC[C@@H](CO)NCc1c(C)nn(CCCC)c1Cl ZINC000883157333 645630741 /nfs/dbraw/zinc/63/07/41/645630741.db2.gz VZXNJQSSMJYDCS-ZDUSSCGKSA-N 0 1 297.830 2.509 20 30 CFEDMN C=CCC[C@@H](NCc1nccn1CC)[C@@H]1CCCO1 ZINC000883226100 645676330 /nfs/dbraw/zinc/67/63/30/645676330.db2.gz SEZBSYGEZITEDC-KGLIPLIRSA-N 0 1 263.385 2.506 20 30 CFEDMN C#CC1(NCc2csc([N+](=O)[O-])c2)CCCC1 ZINC000883363048 645769645 /nfs/dbraw/zinc/76/96/45/645769645.db2.gz URDMSWUBCLXEJA-UHFFFAOYSA-N 0 1 250.323 2.692 20 30 CFEDMN C#CC1(NCc2cc(OC)c(OC)cc2OC)CCCC1 ZINC000883363090 645769796 /nfs/dbraw/zinc/76/97/96/645769796.db2.gz VSIGNLNKRSYICM-UHFFFAOYSA-N 0 1 289.375 2.748 20 30 CFEDMN C=CC[N@@H+](CC(=O)[O-])Cc1ccc2nc(C)ccc2c1 ZINC000097864081 651045753 /nfs/dbraw/zinc/04/57/53/651045753.db2.gz AASKTVGWMLHHDE-UHFFFAOYSA-N 0 1 270.332 2.616 20 30 CFEDMN CC1(C)CCC(C(=O)C(C#N)C(=O)N2CCCC2)CC1 ZINC000131955941 645853632 /nfs/dbraw/zinc/85/36/32/645853632.db2.gz AQENPRKSCKCCTI-ZDUSSCGKSA-N 0 1 276.380 2.534 20 30 CFEDMN C#CC1(NC(=O)NCc2nc3ccc(C)cc3[nH]2)CCCC1 ZINC000883486731 645855317 /nfs/dbraw/zinc/85/53/17/645855317.db2.gz UMSDLZZDMZGCFQ-UHFFFAOYSA-N 0 1 296.374 2.617 20 30 CFEDMN CC[C@]1(C)CN(CCCOc2ccc(C#N)cc2)CCO1 ZINC000135687204 646577290 /nfs/dbraw/zinc/57/72/90/646577290.db2.gz NKPSLHXBZWYOMP-QGZVFWFLSA-N 0 1 288.391 2.828 20 30 CFEDMN Cc1csc(C(C#N)C(=O)C=Cc2cncc(F)c2)n1 ZINC000136095149 646738866 /nfs/dbraw/zinc/73/88/66/646738866.db2.gz JJPDBABMJAOVAT-JDGPPOGSSA-N 0 1 287.319 2.875 20 30 CFEDMN N#CC1(C[C@H](O)CN2CCc3sccc3C2)CCC1 ZINC000885941546 646776630 /nfs/dbraw/zinc/77/66/30/646776630.db2.gz BVKHWFJFSKQKTO-ZDUSSCGKSA-N 0 1 276.405 2.551 20 30 CFEDMN Cc1n[nH]c(CNC2(c3cccc(C#N)c3)CC2)c1C ZINC000886040912 646836454 /nfs/dbraw/zinc/83/64/54/646836454.db2.gz HGGJSSQGFBEGJG-UHFFFAOYSA-N 0 1 266.348 2.677 20 30 CFEDMN Cc1[nH]nc(CNC2(c3cccc(C#N)c3)CC2)c1C ZINC000886040912 646836457 /nfs/dbraw/zinc/83/64/57/646836457.db2.gz HGGJSSQGFBEGJG-UHFFFAOYSA-N 0 1 266.348 2.677 20 30 CFEDMN C#CCN1CCC[C@H](NCc2csc(C(C)(C)C)n2)C1 ZINC000886213363 646923806 /nfs/dbraw/zinc/92/38/06/646923806.db2.gz RJGAJJKLXQAFDS-ZDUSSCGKSA-N 0 1 291.464 2.628 20 30 CFEDMN C=CCN(Cc1cccs1)C(=O)[C@@H](C)N1C[C@@H]2C[C@@H]2C1 ZINC000886342842 646979267 /nfs/dbraw/zinc/97/92/67/646979267.db2.gz KPUHGSWSBRZZQU-MCIONIFRSA-N 0 1 290.432 2.603 20 30 CFEDMN C#CC[C@@H]1CC[N@H+](Cc2nc(-c3ccc(C)cc3)no2)C1 ZINC000886353795 646982878 /nfs/dbraw/zinc/98/28/78/646982878.db2.gz PXMVNOXNNSIZJA-CQSZACIVSA-N 0 1 281.359 2.890 20 30 CFEDMN C#CC[C@@H]1CCN(Cc2nc(-c3ccc(C)cc3)no2)C1 ZINC000886353795 646982880 /nfs/dbraw/zinc/98/28/80/646982880.db2.gz PXMVNOXNNSIZJA-CQSZACIVSA-N 0 1 281.359 2.890 20 30 CFEDMN C#CC[C@@H]1CCN([C@H](C)C(=O)Nc2ccc(C)cc2F)C1 ZINC000886355020 646984292 /nfs/dbraw/zinc/98/42/92/646984292.db2.gz AWFVOYVJRNGPGM-ZIAGYGMSSA-N 0 1 288.366 2.806 20 30 CFEDMN Clc1ccccc1C#CCN1C[C@@H]2CSC[C@@H]2C1 ZINC000886568282 647049563 /nfs/dbraw/zinc/04/95/63/647049563.db2.gz FYECTEJAOZNURW-OKILXGFUSA-N 0 1 277.820 2.986 20 30 CFEDMN COc1cc(CN[C@H]2CCc3cccnc32)ccc1C#N ZINC000886612379 647067559 /nfs/dbraw/zinc/06/75/59/647067559.db2.gz JWWXGKSAOFMMGZ-HNNXBMFYSA-N 0 1 279.343 2.739 20 30 CFEDMN C=CCC1(O)CCN(Cc2cccc(C(C)=O)c2)CC1 ZINC000886778451 647133877 /nfs/dbraw/zinc/13/38/77/647133877.db2.gz APRPCDBTLITKLN-UHFFFAOYSA-N 0 1 273.376 2.792 20 30 CFEDMN C#CCN(C(=O)c1ccn[nH]1)[C@H]1CCCc2ccccc21 ZINC000887234055 647244754 /nfs/dbraw/zinc/24/47/54/647244754.db2.gz KLPZTPOAZPCPFU-INIZCTEOSA-N 0 1 279.343 2.563 20 30 CFEDMN CC(C)CNC(=O)C1CCN(Cc2ccccc2C#N)CC1 ZINC000890386954 647790363 /nfs/dbraw/zinc/79/03/63/647790363.db2.gz ZPYGLROSLHPGLB-UHFFFAOYSA-N 0 1 299.418 2.542 20 30 CFEDMN C=CCOCCN[C@@H](C)c1cccc(Br)n1 ZINC000926114331 648408524 /nfs/dbraw/zinc/40/85/24/648408524.db2.gz DUSJJISWIPYJSG-JTQLQIEISA-N 0 1 285.185 2.697 20 30 CFEDMN C=CCS(=O)(=O)CCN[C@@H](C)c1coc2ccccc21 ZINC000926125161 648410894 /nfs/dbraw/zinc/41/08/94/648410894.db2.gz HJVCRGGNPWOQCT-LBPRGKRZSA-N 0 1 293.388 2.684 20 30 CFEDMN C=C[C@@H]1OCCC[C@H]1N[C@@H](C)c1cn2c(n1)CCCC2 ZINC000926530057 648520536 /nfs/dbraw/zinc/52/05/36/648520536.db2.gz CPVWLBHONVUPDK-GUTXKFCHSA-N 0 1 275.396 2.604 20 30 CFEDMN CSc1ccc(CN[C@@H](C)c2ccnnc2)cc1C#N ZINC000926868043 648639722 /nfs/dbraw/zinc/63/97/22/648639722.db2.gz GQQBKGMARNVSBP-NSHDSACASA-N 0 1 284.388 2.921 20 30 CFEDMN Cc1cc([C@@H](C)NCc2ccc(C)c(C#N)c2)n(C)n1 ZINC000926962405 648672863 /nfs/dbraw/zinc/67/28/63/648672863.db2.gz LVIRQXWWKHPVRW-CYBMUJFWSA-N 0 1 268.364 2.759 20 30 CFEDMN N#CC(CCc1ccccc1)C(=O)N1CCC[C@@H](C#N)C1 ZINC000928219033 648875548 /nfs/dbraw/zinc/87/55/48/648875548.db2.gz NFBHIYIRXTWHTE-HOTGVXAUSA-N 0 1 281.359 2.521 20 30 CFEDMN N#C[C@H]1CCCN(C(=O)c2cc(C3CCCCC3)[nH]n2)C1 ZINC000928221082 648876749 /nfs/dbraw/zinc/87/67/49/648876749.db2.gz KOYBGGBFLOHYPP-GFCCVEGCSA-N 0 1 286.379 2.833 20 30 CFEDMN CCN(CC(=O)Nc1ccc(CCC#N)cc1)C1CC1 ZINC000928403508 648907412 /nfs/dbraw/zinc/90/74/12/648907412.db2.gz CGLNYQYGKVVUGW-UHFFFAOYSA-N 0 1 271.364 2.566 20 30 CFEDMN C#CCN1CCC(NC(=O)[C@H](C)CCC(C)(C)C)CC1 ZINC000928654302 648938815 /nfs/dbraw/zinc/93/88/15/648938815.db2.gz WCRQJAGNQIYPHB-CQSZACIVSA-N 0 1 278.440 2.663 20 30 CFEDMN C#CCN1CCC(NC(=O)C[C@H](CC)CCCC)CC1 ZINC000928654743 648939108 /nfs/dbraw/zinc/93/91/08/648939108.db2.gz BMNQYQHVPSSSOO-OAHLLOKOSA-N 0 1 278.440 2.807 20 30 CFEDMN C#CCN1CCC(NC(=O)CCCCCC(C)C)CC1 ZINC000928655900 648939125 /nfs/dbraw/zinc/93/91/25/648939125.db2.gz CIKMPDKGXUHBCM-UHFFFAOYSA-N 0 1 278.440 2.807 20 30 CFEDMN CCCN(CCCCC1(C#N)CCC1)CC(=O)OC ZINC000929296108 649026481 /nfs/dbraw/zinc/02/64/81/649026481.db2.gz NIRZHBJYKYKAOZ-UHFFFAOYSA-N 0 1 266.385 2.736 20 30 CFEDMN CN(CC[N@@H+](C)Cc1cncc(C#N)c1)c1ccccc1 ZINC000929600163 649075084 /nfs/dbraw/zinc/07/50/84/649075084.db2.gz DSXIPCGVCFMDMO-UHFFFAOYSA-N 0 1 280.375 2.521 20 30 CFEDMN CN(CCN(C)c1ccccc1)Cc1cncc(C#N)c1 ZINC000929600163 649075085 /nfs/dbraw/zinc/07/50/85/649075085.db2.gz DSXIPCGVCFMDMO-UHFFFAOYSA-N 0 1 280.375 2.521 20 30 CFEDMN CCCO[C@H]1CCCN(Cc2cncc(C#N)c2)CC1 ZINC000929604682 649076961 /nfs/dbraw/zinc/07/69/61/649076961.db2.gz MUPCCPWXTDPICA-INIZCTEOSA-N 0 1 273.380 2.734 20 30 CFEDMN COC[C@H]1CCN(Cc2cc(Cl)cc(C#N)c2)C1 ZINC000929692641 649098327 /nfs/dbraw/zinc/09/83/27/649098327.db2.gz HDOYZYNWOUYGIA-NSHDSACASA-N 0 1 264.756 2.680 20 30 CFEDMN N#CC1(CCCCN2CCO[C@@H]([C@H]3CCCO3)C2)CCC1 ZINC000929825923 649131635 /nfs/dbraw/zinc/13/16/35/649131635.db2.gz MTVQVIDJULYEEC-HZPDHXFCSA-N 0 1 292.423 2.730 20 30 CFEDMN N#CC[C@@H](O)CN1CC=C(c2ccc(Cl)cc2)CC1 ZINC000930022343 649168646 /nfs/dbraw/zinc/16/86/46/649168646.db2.gz WSUUJURXBNPDSX-OAHLLOKOSA-N 0 1 276.767 2.704 20 30 CFEDMN COC(=O)[C@@H]1CCCC[C@H]1CN(C[C@H](C)C#N)C1CC1 ZINC000930085518 649181024 /nfs/dbraw/zinc/18/10/24/649181024.db2.gz GAOBOLAXKGFOEW-VNHYZAJKSA-N 0 1 278.396 2.590 20 30 CFEDMN N#Cc1cncc(CN2CCC(C3CCOCC3)CC2)c1 ZINC000930083869 649181072 /nfs/dbraw/zinc/18/10/72/649181072.db2.gz MUKHVSVXOXUWIG-UHFFFAOYSA-N 0 1 285.391 2.592 20 30 CFEDMN N#CC1(c2ccccn2)CCN(CCc2ccns2)CC1 ZINC000930334023 649232515 /nfs/dbraw/zinc/23/25/15/649232515.db2.gz VHHWAPHYVJQIII-UHFFFAOYSA-N 0 1 298.415 2.638 20 30 CFEDMN CO[C@H]1C[C@@H]([N@@H+](C)Cc2cc(Cl)cc(C#N)c2)C1 ZINC000930448118 649249333 /nfs/dbraw/zinc/24/93/33/649249333.db2.gz PZRRNFNNBQAVDU-OKILXGFUSA-N 0 1 264.756 2.821 20 30 CFEDMN Cc1noc([C@@H]2CCCN2CC2CCC(C#N)CC2)n1 ZINC000930476401 649257016 /nfs/dbraw/zinc/25/70/16/649257016.db2.gz RIUKTLPVANUYIW-RUXDESIVSA-N 0 1 274.368 2.845 20 30 CFEDMN C#C[C@@H]1CCC[N@H+](C[C@H]2CCC[C@H](C(F)(F)F)O2)C1 ZINC000930884292 649343525 /nfs/dbraw/zinc/34/35/25/649343525.db2.gz CCPWLUJJABURQY-JHJVBQTASA-N 0 1 275.314 2.832 20 30 CFEDMN C=CC[N@H+](C[C@@H](C)C(=O)c1ccc([O-])cc1)[C@H](C)COC ZINC000930932396 649352660 /nfs/dbraw/zinc/35/26/60/649352660.db2.gz KCQCSHLOQOUIPI-ZIAGYGMSSA-N 0 1 291.391 2.734 20 30 CFEDMN C=CC[N@@H+](C[C@@H](C)C(=O)c1ccc([O-])cc1)[C@H](C)COC ZINC000930932396 649352664 /nfs/dbraw/zinc/35/26/64/649352664.db2.gz KCQCSHLOQOUIPI-ZIAGYGMSSA-N 0 1 291.391 2.734 20 30 CFEDMN C[C@]12COC[C@H]1CN(Cc1cc(Cl)cc(C#N)c1)C2 ZINC000931015699 649364756 /nfs/dbraw/zinc/36/47/56/649364756.db2.gz UEUQIPUKUSBBAA-HIFRSBDPSA-N 0 1 276.767 2.680 20 30 CFEDMN Cc1cc(C#N)cc(C)c1CN1CCCc2n[nH]cc2C1 ZINC000931082781 649377499 /nfs/dbraw/zinc/37/74/99/649377499.db2.gz CPIFRLQFLWAAIS-UHFFFAOYSA-N 0 1 280.375 2.847 20 30 CFEDMN C[C@@H]1CCN(Cc2cc(Cl)cc(C#N)c2)C[C@@H]1CO ZINC000931101099 649379825 /nfs/dbraw/zinc/37/98/25/649379825.db2.gz VGLYPFCKHCPICI-BXUZGUMPSA-N 0 1 278.783 2.662 20 30 CFEDMN CCOC[C@@H]1CN(CCCCC2(C#N)CCC2)CCO1 ZINC000931252098 649397350 /nfs/dbraw/zinc/39/73/50/649397350.db2.gz GGSQCJOIVLNYMG-HNNXBMFYSA-N 0 1 280.412 2.588 20 30 CFEDMN C[C@H](NCc1cc(Cl)cc(C#N)c1)c1ccnn1C ZINC000931559622 649454217 /nfs/dbraw/zinc/45/42/17/649454217.db2.gz GXISBWUJARYPAP-JTQLQIEISA-N 0 1 274.755 2.796 20 30 CFEDMN C#CC[C@@H]1CCN(Cc2cnc(Br)c(C)c2)C1 ZINC000931714018 649477321 /nfs/dbraw/zinc/47/73/21/649477321.db2.gz CCMIRSWJYPAHCV-GFCCVEGCSA-N 0 1 293.208 2.998 20 30 CFEDMN CCOC(=O)[C@@H]1[C@@H]2CCN([C@H](C)c3cccc(C#N)c3)C[C@@H]21 ZINC000932058270 649530020 /nfs/dbraw/zinc/53/00/20/649530020.db2.gz GNKCEJMSIZKBQA-VDNDLQMASA-N 0 1 298.386 2.750 20 30 CFEDMN CC(C)(C)C(=O)N1CCC(CN2CCC[C@H](C#N)C2)CC1 ZINC000932152065 649551489 /nfs/dbraw/zinc/55/14/89/649551489.db2.gz GPGUEHIQAPPHTA-OAHLLOKOSA-N 0 1 291.439 2.507 20 30 CFEDMN C#CCN(Cc1cncc(Br)c1)C(C)C ZINC000932388908 649591715 /nfs/dbraw/zinc/59/17/15/649591715.db2.gz ZQNOANNBAXJKGO-UHFFFAOYSA-N 0 1 267.170 2.688 20 30 CFEDMN Cn1nccc1[C@H]1CCCN1Cc1ccc(OCC#N)cc1 ZINC000932268951 649572252 /nfs/dbraw/zinc/57/22/52/649572252.db2.gz SDMPUCJFFZNQMO-QGZVFWFLSA-N 0 1 296.374 2.660 20 30 CFEDMN N#C[C@@H](NC(=O)c1cccc2nc(C(F)F)[nH]c21)C1CC1 ZINC000932378129 649587745 /nfs/dbraw/zinc/58/77/45/649587745.db2.gz KCISVFVQQKMMPC-SNVBAGLBSA-N 0 1 290.273 2.532 20 30 CFEDMN C#CC[N@@H+](C[C@@H](O)c1ccc(F)cc1F)C(C)(C)C ZINC000932462682 649605332 /nfs/dbraw/zinc/60/53/32/649605332.db2.gz CHBIUMJQTWLDJV-CQSZACIVSA-N 0 1 267.319 2.732 20 30 CFEDMN C#CCN(CC[S@](=O)c1ccccc1)C(C)(C)C ZINC000932463647 649605974 /nfs/dbraw/zinc/60/59/74/649605974.db2.gz HZIBKFACBQVWQU-SFHVURJKSA-N 0 1 263.406 2.528 20 30 CFEDMN C#CCN(Cc1cc(F)cc2c1OCOC2)C(C)(C)C ZINC000932466112 649606394 /nfs/dbraw/zinc/60/63/94/649606394.db2.gz SAOIGCZHGUEWLI-UHFFFAOYSA-N 0 1 277.339 2.926 20 30 CFEDMN C=C(C)[C@H](CO)N[C@H](CC)c1cc(F)ccc1OC ZINC000932476162 649608245 /nfs/dbraw/zinc/60/82/45/649608245.db2.gz YKRKPMYJVCASIU-KGLIPLIRSA-N 0 1 267.344 2.812 20 30 CFEDMN N#Cc1ccc(C2CCN(Cc3ccno3)CC2)cc1 ZINC000933612118 649706283 /nfs/dbraw/zinc/70/62/83/649706283.db2.gz XGCMBHZSVXBBAO-UHFFFAOYSA-N 0 1 267.332 2.926 20 30 CFEDMN CCCNC(=O)[C@H](C)N1CCC(c2ccc(C#N)cc2)CC1 ZINC000933613572 649706846 /nfs/dbraw/zinc/70/68/46/649706846.db2.gz BUMIEEXHRJQGKL-AWEZNQCLSA-N 0 1 299.418 2.652 20 30 CFEDMN N#Cc1ccc([C@@H]2CN(CC3CCC3)CCO2)cc1 ZINC000933627035 649707497 /nfs/dbraw/zinc/70/74/97/649707497.db2.gz HMVSHZMWXDGVHG-INIZCTEOSA-N 0 1 256.349 2.732 20 30 CFEDMN COC(C)(C)CCN1CCO[C@@H](c2ccc(C#N)cc2)C1 ZINC000933631364 649708806 /nfs/dbraw/zinc/70/88/06/649708806.db2.gz YQSJZSLVDSYIFY-MRXNPFEDSA-N 0 1 288.391 2.747 20 30 CFEDMN O=C1C=COC2(CCN(Cc3ccc(F)cc3)CC2)C1 ZINC000933647783 649710106 /nfs/dbraw/zinc/71/01/06/649710106.db2.gz HIKBMQFDIQVGJI-UHFFFAOYSA-N 0 1 275.323 2.663 20 30 CFEDMN CC(C)(C#N)CCCC[N@H+]1CCOC[C@H]1C[C@@H]1CCCO1 ZINC000933682135 649713534 /nfs/dbraw/zinc/71/35/34/649713534.db2.gz URUCGDJWFWZLKR-CVEARBPZSA-N 0 1 294.439 2.976 20 30 CFEDMN C=C(C)CN(CC)C(=O)[C@@H](C)N[C@@H](C)c1cncs1 ZINC000934202201 649759831 /nfs/dbraw/zinc/75/98/31/649759831.db2.gz PPPLEZOMRQMPHB-NWDGAFQWSA-N 0 1 281.425 2.607 20 30 CFEDMN N#Cc1ccc(CN2CC[C@@H](Cc3nccs3)C2)o1 ZINC000934328074 649774768 /nfs/dbraw/zinc/77/47/68/649774768.db2.gz GXKMLYBJZIIMSB-NSHDSACASA-N 0 1 273.361 2.672 20 30 CFEDMN C=CCC[C@@H](O)CN(C)Cc1cc(-c2ccccc2)n[nH]1 ZINC000934415817 649784848 /nfs/dbraw/zinc/78/48/48/649784848.db2.gz INQKKHMUHPDCEH-MRXNPFEDSA-N 0 1 285.391 2.836 20 30 CFEDMN C=CC[C@@H]1CCN1[C@H](C)C(=O)N1CCCC[C@H]1CC ZINC000934470967 649790586 /nfs/dbraw/zinc/79/05/86/649790586.db2.gz IVOSAKSLTBJVMJ-RBSFLKMASA-N 0 1 264.413 2.816 20 30 CFEDMN C=CC[C@@H]1CCN1Cc1ccc(OC)c([N+](=O)[O-])c1 ZINC000934471183 649790654 /nfs/dbraw/zinc/79/06/54/649790654.db2.gz SGGARBUUZQKKIM-GFCCVEGCSA-N 0 1 262.309 2.754 20 30 CFEDMN C=CC[C@@H]1CCN1[C@@H](C)C(=O)NCCc1ccc(F)cc1 ZINC000934472023 649790980 /nfs/dbraw/zinc/79/09/80/649790980.db2.gz LBJBRPIZDLZRIX-XJKSGUPXSA-N 0 1 290.382 2.523 20 30 CFEDMN CSCC(C)(C)NCc1cccc(F)c1C#N ZINC000934667261 649813799 /nfs/dbraw/zinc/81/37/99/649813799.db2.gz AGNZCSUHIBCFSB-UHFFFAOYSA-N 0 1 252.358 2.929 20 30 CFEDMN C[C@]12CSC[C@H]1CN(Cc1cccc(F)c1C#N)C2 ZINC000934766804 649827211 /nfs/dbraw/zinc/82/72/11/649827211.db2.gz LHBSGPFYUUKJSB-DOMZBBRYSA-N 0 1 276.380 2.882 20 30 CFEDMN C=C(C)CN1CCC[C@@H](NC(=O)c2cccc(C)c2)C1 ZINC001006630375 651127141 /nfs/dbraw/zinc/12/71/41/651127141.db2.gz INSODSDYSWIPIR-MRXNPFEDSA-N 0 1 272.392 2.765 20 30 CFEDMN C=CCN1CCC[C@@H](NC(=O)[C@H]2CCCC3(CC3)C2)C1 ZINC001007330087 651133464 /nfs/dbraw/zinc/13/34/64/651133464.db2.gz XFEHQSRZHMUHKE-LSDHHAIUSA-N 0 1 276.424 2.723 20 30 CFEDMN C=CCN1CCC[C@H](NC(=O)[C@@H]2CCCC3(CC3)C2)C1 ZINC001007330084 651133629 /nfs/dbraw/zinc/13/36/29/651133629.db2.gz XFEHQSRZHMUHKE-CABCVRRESA-N 0 1 276.424 2.723 20 30 CFEDMN C=CC[N@@H+]1CCC[C@@H](NC(=O)c2ccc(C(C)C)nc2)C1 ZINC001007495804 651135476 /nfs/dbraw/zinc/13/54/76/651135476.db2.gz MWQONXCARHJWSC-OAHLLOKOSA-N 0 1 287.407 2.585 20 30 CFEDMN C=CCN1CCC[C@@H](NC(=O)c2ccc(C(C)C)nc2)C1 ZINC001007495804 651135478 /nfs/dbraw/zinc/13/54/78/651135478.db2.gz MWQONXCARHJWSC-OAHLLOKOSA-N 0 1 287.407 2.585 20 30 CFEDMN C=C(C)CN1CCC[C@@H](NC(=O)c2conc2C(C)C)C1 ZINC001007486697 651135892 /nfs/dbraw/zinc/13/58/92/651135892.db2.gz RDDZLAQWGDCJCO-CYBMUJFWSA-N 0 1 291.395 2.568 20 30 CFEDMN C=CCN1CCC[C@@H](NC(=O)c2cccc3cccnc32)C1 ZINC001007816720 651139202 /nfs/dbraw/zinc/13/92/02/651139202.db2.gz ISMAJIWYPLZMGC-OAHLLOKOSA-N 0 1 295.386 2.615 20 30 CFEDMN C=C(C)CN1CCC[C@H](NC(=O)c2c(C)oc(C)c2C)C1 ZINC001007859858 651139657 /nfs/dbraw/zinc/13/96/57/651139657.db2.gz QUQPLYNCKRCYCR-HNNXBMFYSA-N 0 1 290.407 2.975 20 30 CFEDMN C=CCN1CCC[C@H](NC(=O)[C@H](c2ccccc2)C2CC2)C1 ZINC001007934149 651140390 /nfs/dbraw/zinc/14/03/90/651140390.db2.gz NUMOCUMXEWKSAL-ZWKOTPCHSA-N 0 1 298.430 2.947 20 30 CFEDMN C=C(C)CN1CCC[C@H](NC(=O)c2ccn(CC)c2C)C1 ZINC001008271400 651145801 /nfs/dbraw/zinc/14/58/01/651145801.db2.gz VTVKUEWLWPTOTB-HNNXBMFYSA-N 0 1 289.423 2.587 20 30 CFEDMN C=CCN1CCC[C@H](NC(=O)c2nccc3ccccc32)C1 ZINC001008344333 651146087 /nfs/dbraw/zinc/14/60/87/651146087.db2.gz QPVNIJUQUPSCBW-HNNXBMFYSA-N 0 1 295.386 2.615 20 30 CFEDMN C=C(C)CN1CCC[C@@H](NC(=O)[C@@H]2CCC(C)(C)C2)C1 ZINC001008445974 651148634 /nfs/dbraw/zinc/14/86/34/651148634.db2.gz BPESYHXETBWHTA-HUUCEWRRSA-N 0 1 278.440 2.969 20 30 CFEDMN C=CCN1CCC[C@@H](NC(=O)[C@H](C)c2cccs2)C1 ZINC001008502414 651150024 /nfs/dbraw/zinc/15/00/24/651150024.db2.gz PNAKVSPATDTZCP-CHWSQXEVSA-N 0 1 278.421 2.618 20 30 CFEDMN C=CCN1CCC[C@H](NC(=O)c2cc[nH]c2C2CCC2)C1 ZINC001008520432 651150620 /nfs/dbraw/zinc/15/06/20/651150620.db2.gz IWGKWYCPHJGEQI-AWEZNQCLSA-N 0 1 287.407 2.662 20 30 CFEDMN C=C(C)CN1CCC[C@H](NC(=O)[C@@H]2C[C@H]2CC(C)C)C1 ZINC001008587029 651150942 /nfs/dbraw/zinc/15/09/42/651150942.db2.gz JVMJSPQNGILTTE-OWCLPIDISA-N 0 1 278.440 2.825 20 30 CFEDMN C=CCN1CCC[C@@H](NC(=O)[C@@H](C)c2cccc(C)c2)C1 ZINC001008691585 651152931 /nfs/dbraw/zinc/15/29/31/651152931.db2.gz YUHYZHKUNWHBBI-DOTOQJQBSA-N 0 1 286.419 2.865 20 30 CFEDMN C=CCN1CCC[C@@H](NC(=O)[C@H](C)c2ccccc2F)C1 ZINC001008907359 651154345 /nfs/dbraw/zinc/15/43/45/651154345.db2.gz CKBPVKGCODEBMT-ZIAGYGMSSA-N 0 1 290.382 2.696 20 30 CFEDMN C=CCN1CCC[C@H](NC(=O)c2cccc3ccncc32)C1 ZINC001009046414 651155505 /nfs/dbraw/zinc/15/55/05/651155505.db2.gz QGVXYRPCLQTZQB-HNNXBMFYSA-N 0 1 295.386 2.615 20 30 CFEDMN C=C(C)CN1CCC[C@H](NC(=O)C2(F)CCCCC2)C1 ZINC001009094374 651155802 /nfs/dbraw/zinc/15/58/02/651155802.db2.gz LDAWTCGYGBUWMA-AWEZNQCLSA-N 0 1 282.403 2.816 20 30 CFEDMN C=CCN1CCC[C@@H](NC(=O)c2cc3c(C)cccn3c2)C1 ZINC001009187170 651156752 /nfs/dbraw/zinc/15/67/52/651156752.db2.gz KBGLTPQOWPTALG-MRXNPFEDSA-N 0 1 297.402 2.628 20 30 CFEDMN C=C(C)CN1CCC[C@H](NC(=O)C2(C)CC(F)(F)C2)C1 ZINC001009162777 651157109 /nfs/dbraw/zinc/15/71/09/651157109.db2.gz QNYFSOYORIVWQU-LBPRGKRZSA-N 0 1 286.366 2.579 20 30 CFEDMN C=CCN1CCC[C@@H](NC(=O)c2cccc(Cl)c2)C1 ZINC001009308841 651158729 /nfs/dbraw/zinc/15/87/29/651158729.db2.gz QFWGTUSHTFRRPJ-CQSZACIVSA-N 0 1 278.783 2.720 20 30 CFEDMN C=C(C)CN1CCC[C@@H](NC(=O)c2ccc(C3CC3)cn2)C1 ZINC001009380640 651159993 /nfs/dbraw/zinc/15/99/93/651159993.db2.gz YIROKHOCJVOWFD-MRXNPFEDSA-N 0 1 299.418 2.729 20 30 CFEDMN C=C(C)CN1CC[C@H](NC(=O)c2cccc(C)c2F)C1 ZINC001014517676 651187166 /nfs/dbraw/zinc/18/71/66/651187166.db2.gz SYEVQGUEZYGDLR-ZDUSSCGKSA-N 0 1 276.355 2.514 20 30 CFEDMN C=CCN1CC[C@H](NC(=O)[C@@H]2CC[C@@H](c3ccccc3)C2)C1 ZINC001014924598 651193951 /nfs/dbraw/zinc/19/39/51/651193951.db2.gz NIFXCBOFLNUKSA-KURKYZTESA-N 0 1 298.430 2.947 20 30 CFEDMN C=C(C)CN1CC[C@@H](NC(=O)c2ccoc2C2CC2)C1 ZINC001015611124 651206002 /nfs/dbraw/zinc/20/60/02/651206002.db2.gz DRHQEYAETORAOR-CYBMUJFWSA-N 0 1 274.364 2.537 20 30 CFEDMN C=CCN1CC[C@@H](NC(=O)[C@@H]2C[C@H]2c2ccccc2CC)C1 ZINC001015623164 651206611 /nfs/dbraw/zinc/20/66/11/651206611.db2.gz PRSXKCGHXMMVAA-BPQIPLTHSA-N 0 1 298.430 2.729 20 30 CFEDMN C=C(C)CN1CC[C@@H](NC(=O)C2(C)CCCCC2)C1 ZINC001015650623 651207749 /nfs/dbraw/zinc/20/77/49/651207749.db2.gz SSKTVSIVFLDCIP-CQSZACIVSA-N 0 1 264.413 2.723 20 30 CFEDMN C=CCN1CC[C@H](NC(=O)[C@H]2[C@@H]3CCCCCC[C@@H]32)C1 ZINC001015746701 651211629 /nfs/dbraw/zinc/21/16/29/651211629.db2.gz UBSHMNWKDYGXTO-CAOSSQGBSA-N 0 1 276.424 2.579 20 30 CFEDMN C=C(C)CN1CC[C@@H](NC(=O)c2cnc3ccccc3c2)C1 ZINC001015760681 651212788 /nfs/dbraw/zinc/21/27/88/651212788.db2.gz WWXQSSKNZMCNFQ-MRXNPFEDSA-N 0 1 295.386 2.615 20 30 CFEDMN C=C(C)CN1CC[C@@H](NC(=O)c2cc([C@@H](C)CC)no2)C1 ZINC001015811784 651214665 /nfs/dbraw/zinc/21/46/65/651214665.db2.gz NCEZRKUSIPBNLE-QWHCGFSZSA-N 0 1 291.395 2.568 20 30 CFEDMN C=C(C)CN1CC[C@H](NC(=O)C23CCC(CC2)C3(C)C)C1 ZINC001015812404 651214866 /nfs/dbraw/zinc/21/48/66/651214866.db2.gz WRQUNDVDEUMNRX-CSLYMUCUSA-N 0 1 290.451 2.969 20 30 CFEDMN CC#CCN1CC[C@@H](NC(=O)[C@@H](C)c2ccc(CC)cc2)C1 ZINC001015859411 651216535 /nfs/dbraw/zinc/21/65/35/651216535.db2.gz DDSHRGKOPSTSAS-MAUKXSAKSA-N 0 1 298.430 2.566 20 30 CFEDMN C=CCN1CC[C@@H](NC(=O)c2cc(Cl)ccc2C)C1 ZINC001015870491 651216666 /nfs/dbraw/zinc/21/66/66/651216666.db2.gz KTZNRFBMHUHRFM-CYBMUJFWSA-N 0 1 278.783 2.639 20 30 CFEDMN C=CCN1CC[C@@H](NC(=O)C[C@@H]2CCCC(C)(C)C2)C1 ZINC001015995582 651219961 /nfs/dbraw/zinc/21/99/61/651219961.db2.gz WQKBEXZGMQHMEA-LSDHHAIUSA-N 0 1 278.440 2.969 20 30 CFEDMN C=C(C)CN1CC[C@H](NC(=O)c2cc(CC(C)C)c[nH]2)C1 ZINC001016004825 651220676 /nfs/dbraw/zinc/22/06/76/651220676.db2.gz HGPJGDMWKOXLOZ-HNNXBMFYSA-N 0 1 289.423 2.593 20 30 CFEDMN C=C(C)CN1CC[C@@H](NC(=O)c2ccc3ccccc3n2)C1 ZINC001016067659 651222745 /nfs/dbraw/zinc/22/27/45/651222745.db2.gz GUGHIYPCYZAJEK-OAHLLOKOSA-N 0 1 295.386 2.615 20 30 CFEDMN C=C(C)CN1CC[C@@H](NC(=O)c2ccc(C(F)F)o2)C1 ZINC001016123546 651225026 /nfs/dbraw/zinc/22/50/26/651225026.db2.gz OHTVQHVIPFYSOT-SNVBAGLBSA-N 0 1 284.306 2.597 20 30 CFEDMN C=C(C)CN1CC[C@@H](NC(=O)c2ccc(F)cc2Cl)C1 ZINC001016158912 651226553 /nfs/dbraw/zinc/22/65/53/651226553.db2.gz IEBSGJBOHJNZBX-GFCCVEGCSA-N 0 1 296.773 2.859 20 30 CFEDMN C=CCN1CC[C@@H](NC(=O)C2(c3cc(C)cc(C)c3)CC2)C1 ZINC001016273548 651229423 /nfs/dbraw/zinc/22/94/23/651229423.db2.gz XNAOMPISCWCXLI-QGZVFWFLSA-N 0 1 298.430 2.712 20 30 CFEDMN CC#CCN1CC[C@@H](NC(=O)CC2CCC(C)(C)CC2)C1 ZINC001016434233 651233505 /nfs/dbraw/zinc/23/35/05/651233505.db2.gz UXNGTUITROQEIZ-MRXNPFEDSA-N 0 1 290.451 2.807 20 30 CFEDMN CC#CCN1CC[C@@H](NC(=O)C[C@@H]2CCCCC2(C)C)C1 ZINC001016422648 651233610 /nfs/dbraw/zinc/23/36/10/651233610.db2.gz AGXCYAMTEAZTQY-JKSUJKDBSA-N 0 1 290.451 2.807 20 30 CFEDMN C=C(Cl)CN1CCC2(C[C@@H]2NC(=O)[C@@H](C)C2CC2)CC1 ZINC001016561666 651237216 /nfs/dbraw/zinc/23/72/16/651237216.db2.gz BTJVTNOLNHJJLO-JSGCOSHPSA-N 0 1 296.842 2.756 20 30 CFEDMN C=CCCN1C[C@H]2CC[C@@H](C1)N2C(=O)c1cccs1 ZINC001017314553 651249316 /nfs/dbraw/zinc/24/93/16/651249316.db2.gz AHZWHNHOEVRSSG-BETUJISGSA-N 0 1 276.405 2.613 20 30 CFEDMN C=CCCN1C[C@H]2CC[C@@H](C1)N2C(=O)c1ccc(C)c(C)n1 ZINC001017738647 651256769 /nfs/dbraw/zinc/25/67/69/651256769.db2.gz VALOTAKVFOVPAF-IYBDPMFKSA-N 0 1 299.418 2.563 20 30 CFEDMN C=CCCN1C[C@H]2CC[C@@H](C1)N2C(=O)C(C)(C)C(=C)C ZINC001017794592 651258103 /nfs/dbraw/zinc/25/81/03/651258103.db2.gz LDOCRUUYRBTZSD-GASCZTMLSA-N 0 1 276.424 2.840 20 30 CFEDMN C=C(Cl)CN[C@H]1CCN(C(=O)C2C(C)(C)C2(C)C)C1 ZINC001018676790 651274312 /nfs/dbraw/zinc/27/43/12/651274312.db2.gz GBMPAUPVMHPJEZ-NSHDSACASA-N 0 1 284.831 2.612 20 30 CFEDMN C=C(Cl)CN[C@H]1CCN(C(=O)c2cc(C)cs2)C1 ZINC001018816087 651275859 /nfs/dbraw/zinc/27/58/59/651275859.db2.gz SXJHAZDIEGGRAP-NSHDSACASA-N 0 1 284.812 2.613 20 30 CFEDMN C=C(Cl)CN[C@H]1CCN(C(=O)c2cccc(F)c2C)C1 ZINC001018888404 651276714 /nfs/dbraw/zinc/27/67/14/651276714.db2.gz YLFYZAGOJHHHNA-LBPRGKRZSA-N 0 1 296.773 2.691 20 30 CFEDMN C=Cc1ccc(C(=O)N2CC[C@H](NCC(=C)Cl)C2)cc1 ZINC001019419501 651284785 /nfs/dbraw/zinc/28/47/85/651284785.db2.gz CUFZCISWOBYJDY-HNNXBMFYSA-N 0 1 290.794 2.886 20 30 CFEDMN C=C(C)CC[N@@H+]1CC[C@H]1CN(C)C(=O)[C@@H]1C[C@H]1C1CCC1 ZINC001085867499 782189821 /nfs/dbraw/zinc/18/98/21/782189821.db2.gz NFZAHIHDJRPBSG-YESZJQIVSA-N 0 1 290.451 2.922 20 30 CFEDMN C=C(C)CN1CC[C@H]1CN(C)C(=O)[C@@H]1C[C@H]1c1ccccc1 ZINC001085930629 782206306 /nfs/dbraw/zinc/20/63/06/782206306.db2.gz BQFCMPSPKRUUNO-OKZBNKHCSA-N 0 1 298.430 2.899 20 30 CFEDMN COc1ccc(-c2cc(F)cc(F)c2O)nc1CC#N ZINC001243501341 782237222 /nfs/dbraw/zinc/23/72/22/782237222.db2.gz HELIGBNMUZBBBQ-UHFFFAOYSA-N 0 1 276.242 2.807 20 30 CFEDMN N#Cc1ncc(-c2cc(F)cc(F)c2O)cc1F ZINC001243503616 782237914 /nfs/dbraw/zinc/23/79/14/782237914.db2.gz IBYYVMUIZUSMHA-UHFFFAOYSA-N 0 1 250.179 2.743 20 30 CFEDMN CN1CC=C(c2cc(C#N)c(C(F)(F)F)cn2)CC1 ZINC001241311558 782285635 /nfs/dbraw/zinc/28/56/35/782285635.db2.gz XIIMCGXGFOLZQE-UHFFFAOYSA-N 0 1 267.254 2.691 20 30 CFEDMN N#CC1CCN(Cc2c[nH]c3ccc(O)cc23)CC1 ZINC001232864705 777696399 /nfs/dbraw/zinc/69/63/99/777696399.db2.gz LJOFSALGHXXZFY-UHFFFAOYSA-N 0 1 255.321 2.609 20 30 CFEDMN C=CCN1CC[C@@H](N(C)C(=O)c2cc(CC)c(C)s2)C1 ZINC001033648363 780743536 /nfs/dbraw/zinc/74/35/36/780743536.db2.gz ODSXXRBHNTUTQZ-CQSZACIVSA-N 0 1 292.448 2.951 20 30 CFEDMN C=CCN1CC[C@@H](N(CC)C(=O)c2ccnc(C3CC3)c2)C1 ZINC001033886083 780818276 /nfs/dbraw/zinc/81/82/76/780818276.db2.gz DNCVUJSCIMWBKN-MRXNPFEDSA-N 0 1 299.418 2.681 20 30 CFEDMN CC#CCN1CC[C@H](N(CC)C(=O)[C@H]2CCC(C)(C)C2)C1 ZINC001033949137 780833725 /nfs/dbraw/zinc/83/37/25/780833725.db2.gz DRUFNNNTYWYLSO-HOTGVXAUSA-N 0 1 290.451 2.759 20 30 CFEDMN C=CCN1CC[C@H](N(CC)C(=O)c2oc(CC)cc2C)C1 ZINC001034012298 780855194 /nfs/dbraw/zinc/85/51/94/780855194.db2.gz FDGNVGDGOHSINE-AWEZNQCLSA-N 0 1 290.407 2.873 20 30 CFEDMN CC#CCCCC(=O)N[C@@H]1CCN(Cc2ccsc2)C1 ZINC001266335764 769977237 /nfs/dbraw/zinc/97/72/37/769977237.db2.gz FAGNGISUQFVZBB-OAHLLOKOSA-N 0 1 290.432 2.632 20 30 CFEDMN CC#CCN1C[C@@H](C)[C@H](NC(=O)[C@H](CCC)C(C)C)C1 ZINC001209037747 769984442 /nfs/dbraw/zinc/98/44/42/769984442.db2.gz CDLCMNFZXSXNME-BZUAXINKSA-N 0 1 278.440 2.519 20 30 CFEDMN CC#CCN1CC[C@H](NC(=O)[C@@H](CCCC)C(C)C)C1 ZINC001266361576 770021408 /nfs/dbraw/zinc/02/14/08/770021408.db2.gz OUIYDVMQMCOINQ-HOTGVXAUSA-N 0 1 278.440 2.663 20 30 CFEDMN C#CCCCN(Cc1cccnc1)Cc1ccccn1 ZINC001209265594 770027927 /nfs/dbraw/zinc/02/79/27/770027927.db2.gz ARVRPOBATCMFBG-UHFFFAOYSA-N 0 1 265.360 2.892 20 30 CFEDMN C=C(C)C(C)(C)C(=O)N[C@@H]1CC12CCN(CCF)CC2 ZINC001266377591 770050418 /nfs/dbraw/zinc/05/04/18/770050418.db2.gz ZBORSDPZGMRSIJ-CYBMUJFWSA-N 0 1 282.403 2.529 20 30 CFEDMN C=CCCCCCN1Cc2nccn2C[C@H](COC)C1 ZINC001209422885 770077208 /nfs/dbraw/zinc/07/72/08/770077208.db2.gz JWUMTVRYEUZRDN-OAHLLOKOSA-N 0 1 277.412 2.708 20 30 CFEDMN C=CCCCCCCCN1CCN(C)C(=O)[C@@H]1C ZINC001209442390 770093207 /nfs/dbraw/zinc/09/32/07/770093207.db2.gz RJCGYINDXDIQDY-AWEZNQCLSA-N 0 1 252.402 2.676 20 30 CFEDMN C#CC[N@@H+](CC)CCNC(=O)[C@@H](C)c1cc2ccccc2o1 ZINC001266428210 770132596 /nfs/dbraw/zinc/13/25/96/770132596.db2.gz NESCOKDPXXSFEP-AWEZNQCLSA-N 0 1 298.386 2.608 20 30 CFEDMN C#CCN(CC)CCNC(=O)[C@@H](C)c1cc2ccccc2o1 ZINC001266428210 770132598 /nfs/dbraw/zinc/13/25/98/770132598.db2.gz NESCOKDPXXSFEP-AWEZNQCLSA-N 0 1 298.386 2.608 20 30 CFEDMN C=CCCCCCN1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H](C)C#N ZINC001266481216 770200096 /nfs/dbraw/zinc/20/00/96/770200096.db2.gz LTZCZPYAHGIFRI-HRCADAONSA-N 0 1 289.423 2.568 20 30 CFEDMN C=CCCCN1C[C@H]2CC[C@@H](C1)N2C(=O)c1ncccc1C ZINC001266481358 770200348 /nfs/dbraw/zinc/20/03/48/770200348.db2.gz PSGKPJDQUQZDDX-IYBDPMFKSA-N 0 1 299.418 2.645 20 30 CFEDMN C#CCN1CC=C(CCNC(=O)c2c(C)cccc2C)CC1 ZINC001161301185 770252585 /nfs/dbraw/zinc/25/25/85/770252585.db2.gz MZIWRAWFMWDQQC-UHFFFAOYSA-N 0 1 296.414 2.689 20 30 CFEDMN CCCCCCCCN1CCNC(=O)[C@@H]1C(C)C ZINC001167337350 770312939 /nfs/dbraw/zinc/31/29/39/770312939.db2.gz OAFCCIKJERBJAL-AWEZNQCLSA-N 0 1 254.418 2.803 20 30 CFEDMN C=CCC(C)(C)C(=O)NCCCN[C@H](C)c1ncc(C)o1 ZINC001167363101 770374247 /nfs/dbraw/zinc/37/42/47/770374247.db2.gz MKRVPOKWQXEOGH-CYBMUJFWSA-N 0 1 293.411 2.742 20 30 CFEDMN CC#CCN(CCNC(=O)c1csc(Cl)c1)C1CC1 ZINC001266614184 770434949 /nfs/dbraw/zinc/43/49/49/770434949.db2.gz VTMPONWUJDKDTO-UHFFFAOYSA-N 0 1 296.823 2.619 20 30 CFEDMN C#CCN(CCNC(=O)C1(CC(C)C)CCCC1)C1CC1 ZINC001266615916 770439977 /nfs/dbraw/zinc/43/99/77/770439977.db2.gz VMCOLSNSPIFGOJ-UHFFFAOYSA-N 0 1 290.451 2.807 20 30 CFEDMN C=CC[C@H](C=C)Oc1nc(Cl)nc2nc[nH]c21 ZINC000706659294 770466745 /nfs/dbraw/zinc/46/67/45/770466745.db2.gz PSFSIINYXYAPJU-ZETCQYMHSA-N 0 1 250.689 2.516 20 30 CFEDMN C#CCN1CC[C@H]2CC[C@@H](C1)N2C(=O)C(C)(C)C(C)(C)C ZINC001039415661 770608364 /nfs/dbraw/zinc/60/83/64/770608364.db2.gz OZXPTVNJIPEONK-CABCVRRESA-N 0 1 290.451 2.757 20 30 CFEDMN C=C(Cl)CN[C@@H](C)CNC(=O)C(C)=C1CCCC1 ZINC001266930883 770754229 /nfs/dbraw/zinc/75/42/29/770754229.db2.gz CWICIIWDXJZMPV-NSHDSACASA-N 0 1 270.804 2.724 20 30 CFEDMN C=C(C)CCC(=O)NC[C@H](C)NCc1cccc(F)c1F ZINC001266943527 770759424 /nfs/dbraw/zinc/75/94/24/770759424.db2.gz QMBRIHDFRREZJN-LBPRGKRZSA-N 0 1 296.361 2.915 20 30 CFEDMN C=C(Cl)CN[C@@H](C)CNC(=O)C[C@@H]1CC=CCC1 ZINC001266961541 770771458 /nfs/dbraw/zinc/77/14/58/770771458.db2.gz KEVKIYWQGJZJMO-QWHCGFSZSA-N 0 1 270.804 2.580 20 30 CFEDMN COc1ccc(CO)cc1Nc1cc(C#N)c(F)cc1O ZINC001211530789 770794897 /nfs/dbraw/zinc/79/48/97/770794897.db2.gz FYTBZMYYWKQVOW-UHFFFAOYSA-N 0 1 288.278 2.647 20 30 CFEDMN C=CCOCCCNCc1nc(C(C)(C)C)co1 ZINC000724377099 770855195 /nfs/dbraw/zinc/85/51/95/770855195.db2.gz REFFYCWDHNGBOE-UHFFFAOYSA-N 0 1 252.358 2.654 20 30 CFEDMN C=CCC(C)(C)C(=O)NCC[C@H](C)NCc1nccs1 ZINC001267145784 770939780 /nfs/dbraw/zinc/93/97/80/770939780.db2.gz IPNWHIMATNWHJJ-LBPRGKRZSA-N 0 1 295.452 2.730 20 30 CFEDMN Cn1ncc(C#N)c1Nc1ccnc(C(C)(C)C)c1 ZINC001213161034 770944865 /nfs/dbraw/zinc/94/48/65/770944865.db2.gz YWRYWZCNKDMKGJ-UHFFFAOYSA-N 0 1 255.325 2.728 20 30 CFEDMN C[C@H]1CCCN(Cc2cc(C#N)ccc2Cl)[C@@H]1CO ZINC001140599407 773196157 /nfs/dbraw/zinc/19/61/57/773196157.db2.gz AZXUQMBIHWKDDQ-XHDPSFHLSA-N 0 1 278.783 2.804 20 30 CFEDMN Cc1cccc(NC(=O)C(C#N)C(=O)[C@H](C)C2CC2)c1 ZINC000176530054 773234605 /nfs/dbraw/zinc/23/46/05/773234605.db2.gz XRACNPFUVSXPTR-RISCZKNCSA-N 0 1 270.332 2.689 20 30 CFEDMN C#CCCCCC(=O)NC[C@H]1CCCN1C[C@H](F)CC ZINC001267263091 775118521 /nfs/dbraw/zinc/11/85/21/775118521.db2.gz ILURRCLMXRMHBS-HUUCEWRRSA-N 0 1 282.403 2.509 20 30 CFEDMN COc1cc(C#N)ccc1COC1CN(C(C)(C)C)C1 ZINC001224188825 775124452 /nfs/dbraw/zinc/12/44/52/775124452.db2.gz JQJMJCRQIJLUDJ-UHFFFAOYSA-N 0 1 274.364 2.566 20 30 CFEDMN C=CC(C)(C)CC(=O)NC[C@H]1CCCN1C[C@H](F)CC ZINC001267267955 775127823 /nfs/dbraw/zinc/12/78/23/775127823.db2.gz USLOOIWTQHUSBT-ZIAGYGMSSA-N 0 1 284.419 2.917 20 30 CFEDMN CC#CCN1CCC[C@@H]1CNC(=O)[C@H](C)C(CC)CC ZINC001267269572 775130792 /nfs/dbraw/zinc/13/07/92/775130792.db2.gz BDNXHVRBMRNYBH-GDBMZVCRSA-N 0 1 278.440 2.663 20 30 CFEDMN CC[C@H]1OC(C)=C(OCCOc2cccc(C#N)c2)C1=O ZINC001224313117 775152626 /nfs/dbraw/zinc/15/26/26/775152626.db2.gz ZFIBSFGZCFQNQU-CQSZACIVSA-N 0 1 287.315 2.563 20 30 CFEDMN CC[C@H]1OC(C)=C(OCCOc2cccc(OC)c2)C1=O ZINC001224415297 775180455 /nfs/dbraw/zinc/18/04/55/775180455.db2.gz CUVWKBCEIAIONX-CQSZACIVSA-N 0 1 292.331 2.700 20 30 CFEDMN C=C(Cl)CN[C@H]1CCCN(C(=O)CCCC)C1 ZINC001207374731 775215153 /nfs/dbraw/zinc/21/51/53/775215153.db2.gz VERWRSYCWMKAEY-LBPRGKRZSA-N 0 1 258.793 2.510 20 30 CFEDMN COc1ccc(CN2CC[C@H](C)[C@@](C)(O)CC2)c(C#N)c1 ZINC001137697986 775221491 /nfs/dbraw/zinc/22/14/91/775221491.db2.gz FCUSBFQZVHCUHU-GUYCJALGSA-N 0 1 288.391 2.550 20 30 CFEDMN CC(C)(C)N1CC(OCCc2ccc(C#N)cc2)C1 ZINC001224654172 775239346 /nfs/dbraw/zinc/23/93/46/775239346.db2.gz LHAUYXAQXHQEHI-UHFFFAOYSA-N 0 1 258.365 2.600 20 30 CFEDMN COc1ccccc1[C@@H](C)NCc1cncc(C#N)c1 ZINC000721571089 775254330 /nfs/dbraw/zinc/25/43/30/775254330.db2.gz CBNVJGXBEYNYDE-GFCCVEGCSA-N 0 1 267.332 2.813 20 30 CFEDMN CN(CCNCc1ccccc1C#N)C(=O)CCC1(C)CC1 ZINC001267448931 775330753 /nfs/dbraw/zinc/33/07/53/775330753.db2.gz RHJJWDMSNQAEMK-UHFFFAOYSA-N 0 1 299.418 2.687 20 30 CFEDMN CC(C)(O)[C@@H]1CCCN1Cc1cc(F)c(C#N)c(F)c1 ZINC001140754719 775404888 /nfs/dbraw/zinc/40/48/88/775404888.db2.gz JJLALACZBVTCNV-AWEZNQCLSA-N 0 1 280.318 2.572 20 30 CFEDMN C=C(Cl)CN(CCCNC(=O)c1c[nH]cc1C)C(C)C ZINC001267514536 775408018 /nfs/dbraw/zinc/40/80/18/775408018.db2.gz NEKGJCKNPUYXDR-UHFFFAOYSA-N 0 1 297.830 2.906 20 30 CFEDMN COC1C[C@H]2CC[C@@H](C1)N2Cc1cc(F)c(C#N)c(F)c1 ZINC001140757317 775409281 /nfs/dbraw/zinc/40/92/81/775409281.db2.gz YNPULSCZIOGBSP-FUNVUKJBSA-N 0 1 292.329 2.978 20 30 CFEDMN CC#CCN[C@H](CNC(=O)[C@@H]1C[C@H]1CCC)c1ccccc1 ZINC001267522215 775417795 /nfs/dbraw/zinc/41/77/95/775417795.db2.gz AGVGPRJHLCBRBG-KZNAEPCWSA-N 0 1 298.430 2.893 20 30 CFEDMN C=CCN1CCCC[C@H]1CNC(=O)[C@@H]1CC2CCC1CC2 ZINC001024817450 775429274 /nfs/dbraw/zinc/42/92/74/775429274.db2.gz ANUZRVXAFPLEMD-SJJHQCBESA-N 0 1 290.451 2.969 20 30 CFEDMN CC#CCN1CC[C@H](N(CCC)C(=O)CCC2CC2)C1 ZINC001267537100 775442997 /nfs/dbraw/zinc/44/29/97/775442997.db2.gz FHAHPQHUNQRLRT-INIZCTEOSA-N 0 1 276.424 2.513 20 30 CFEDMN Cc1cc(Br)cc(C)c1O[C@@H]1CNC[C@H]1C#N ZINC001218200768 775497689 /nfs/dbraw/zinc/49/76/89/775497689.db2.gz NJRSOYYCVNAASG-ZYHUDNBSSA-N 0 1 295.180 2.556 20 30 CFEDMN CC[C@@H](C)O[C@H]1CCN(Cc2ccccc2C#N)C1 ZINC001204623804 775523827 /nfs/dbraw/zinc/52/38/27/775523827.db2.gz ZAZFJLULDFZBJO-CJNGLKHVSA-N 0 1 258.365 2.948 20 30 CFEDMN C=C[C@H](C(=O)N1CCN([C@H](C)CC)CC1)c1ccccc1 ZINC001140844660 775553933 /nfs/dbraw/zinc/55/39/33/775553933.db2.gz KDCCKICKMWFCKW-WBVHZDCISA-N 0 1 286.419 2.899 20 30 CFEDMN Cc1nccc(N[C@@H](C)c2cccc(C#N)c2)c1F ZINC001167709036 775588810 /nfs/dbraw/zinc/58/88/10/775588810.db2.gz ITPKBUJEMSIDBK-JTQLQIEISA-N 0 1 255.296 2.996 20 30 CFEDMN C=C(Cl)CN1CCC[C@H]([C@@H](C)NC(=O)c2cc[nH]c2)C1 ZINC001025426549 775654237 /nfs/dbraw/zinc/65/42/37/775654237.db2.gz XCSGGKRQBQDCOT-OCCSQVGLSA-N 0 1 295.814 2.598 20 30 CFEDMN N#C[C@H](Oc1nc(C(F)(F)F)cc(=O)[nH]1)c1ccccc1 ZINC001225979120 775656819 /nfs/dbraw/zinc/65/68/19/775656819.db2.gz BUHDOAKHXJNYIL-VIFPVBQESA-N 0 1 295.220 2.845 20 30 CFEDMN C#CCCCCC(=O)NC1CN(CCC2CCCCC2)C1 ZINC001267643385 775732713 /nfs/dbraw/zinc/73/27/13/775732713.db2.gz QHEVXSBILMAOAD-UHFFFAOYSA-N 0 1 290.451 2.951 20 30 CFEDMN C=CCCCN1CC(NC(=O)C[C@H](C)CC(C)C)C1 ZINC001267666207 775764380 /nfs/dbraw/zinc/76/43/80/775764380.db2.gz CNLKHXAGFBVMEW-CQSZACIVSA-N 0 1 266.429 2.825 20 30 CFEDMN N#CC[C@@H](Oc1n[nH]c2ncccc12)c1ccccc1 ZINC001226304106 775774489 /nfs/dbraw/zinc/77/44/89/775774489.db2.gz ZWXJKCUAKUTTLK-CYBMUJFWSA-N 0 1 264.288 2.992 20 30 CFEDMN C=C(C)C(C)(C)C(=O)NCC1CN(Cc2ccsc2)C1 ZINC001267687373 775777411 /nfs/dbraw/zinc/77/74/11/775777411.db2.gz CQFCEIJFZMUGLT-UHFFFAOYSA-N 0 1 292.448 2.898 20 30 CFEDMN CC(C)c1ccc(C#N)c(O[C@@H]2CCCN(C)C2)n1 ZINC001226357322 775788712 /nfs/dbraw/zinc/78/87/12/775788712.db2.gz ZKSNKHZQYJYKTH-CYBMUJFWSA-N 0 1 259.353 2.550 20 30 CFEDMN CC(C)c1ccc(C#N)c(O[C@H]2CN3CCC2CC3)n1 ZINC001226357339 775789288 /nfs/dbraw/zinc/78/92/88/775789288.db2.gz ZUFLVSVKXKJPBZ-HNNXBMFYSA-N 0 1 271.364 2.550 20 30 CFEDMN C=C(C)CN1C[C@@H]2C[C@H]1CN2C(=O)[C@@H](C)C(CC)CC ZINC001267710015 775798128 /nfs/dbraw/zinc/79/81/28/775798128.db2.gz ZHXAJDJCQSPPIU-BPUTZDHNSA-N 0 1 278.440 2.920 20 30 CFEDMN C=CCCCN1C[C@@H]2C[C@H]1CN2C(=O)c1ccc(F)s1 ZINC001267716682 775806731 /nfs/dbraw/zinc/80/67/31/775806731.db2.gz PYXRPRTVSPEYEM-RYUDHWBXSA-N 0 1 294.395 2.752 20 30 CFEDMN C=CCN1CC[C@H](NC(=O)[C@@H](CC)CCCC)C1 ZINC001267719217 775810765 /nfs/dbraw/zinc/81/07/65/775810765.db2.gz QROGJGKURCCSMZ-KBPBESRZSA-N 0 1 252.402 2.579 20 30 CFEDMN C=C(C)C(=O)OC[C@H](C)Oc1nc2ccc(C)cc2[nH]1 ZINC001226506729 775850440 /nfs/dbraw/zinc/85/04/40/775850440.db2.gz ROSMRYGVNGEFSL-NSHDSACASA-N 0 1 274.320 2.758 20 30 CFEDMN C#CCN1CC[C@@H]2CCN(C(=O)C(CC)(CC)CC)C[C@H]21 ZINC001042289829 775928331 /nfs/dbraw/zinc/92/83/31/775928331.db2.gz LZPPHINKKLVRQY-HZPDHXFCSA-N 0 1 290.451 2.759 20 30 CFEDMN C=CCCN1CC[C@H]1CNC(=O)c1ccc2nc(C)oc2c1 ZINC001038366914 775941491 /nfs/dbraw/zinc/94/14/91/775941491.db2.gz MYIHJPUQXKCUGZ-AWEZNQCLSA-N 0 1 299.374 2.516 20 30 CFEDMN C=C(Cl)CN[C@@H](CC)CNC(=O)[C@@]1(C)CC=CCC1 ZINC001267808054 775947485 /nfs/dbraw/zinc/94/74/85/775947485.db2.gz JTZBJZNCPWHZKW-ZFWWWQNUSA-N 0 1 284.831 2.970 20 30 CFEDMN C=C[C@H](CCC)Oc1nc(=O)[nH]c(C)c1Br ZINC001226788302 775964997 /nfs/dbraw/zinc/96/49/97/775964997.db2.gz VDWHSQMPASJXRO-MRVPVSSYSA-N 0 1 287.157 2.987 20 30 CFEDMN C=C[C@@H](CCCC)Oc1nc2[nH]cnc2c(=S)[nH]1 ZINC001226787193 775965055 /nfs/dbraw/zinc/96/50/55/775965055.db2.gz WFHGFBWJEWPUPN-QMMMGPOBSA-N 0 1 264.354 2.765 20 30 CFEDMN C#C[C@@H](CC(C)C)Oc1nc(=O)[nH]c(C)c1Br ZINC001226788310 775965532 /nfs/dbraw/zinc/96/55/32/775965532.db2.gz VUKJHPIAZFNSIC-VIFPVBQESA-N 0 1 299.168 2.680 20 30 CFEDMN C#C[C@@H](CC(C)C)Oc1[nH]c(=O)nc2ccccc21 ZINC001226976545 776043764 /nfs/dbraw/zinc/04/37/64/776043764.db2.gz BVTORTONVHTJNG-NSHDSACASA-N 0 1 256.305 2.762 20 30 CFEDMN C=C(C)CCC(=O)N[C@H]1CC[C@H](NCc2ccon2)CC1 ZINC001267925991 776054020 /nfs/dbraw/zinc/05/40/20/776054020.db2.gz WMDVPQFOWMDFAR-HDJSIYSDSA-N 0 1 291.395 2.548 20 30 CFEDMN C[C@@H](Oc1nc2ccc(C#N)cc2[nH]1)c1ccccn1 ZINC001227216440 776141586 /nfs/dbraw/zinc/14/15/86/776141586.db2.gz RYJLJGIYGKZRJP-SNVBAGLBSA-N 0 1 264.288 2.970 20 30 CFEDMN N#Cc1ccc2nc(O[C@@H]3CC[C@H](C#N)C3)[nH]c2c1 ZINC001227218245 776142159 /nfs/dbraw/zinc/14/21/59/776142159.db2.gz CEAWYCDTCKTIRC-GXSJLCMTSA-N 0 1 252.277 2.506 20 30 CFEDMN CC[C@@H](C#CC(=O)OC)Oc1nc2ccc(Cl)cc2[nH]1 ZINC001227265624 776162989 /nfs/dbraw/zinc/16/29/89/776162989.db2.gz DDXBRYFKBLFOHX-JTQLQIEISA-N 0 1 292.722 2.550 20 30 CFEDMN N#CC[C@H](Oc1[nH]c(=O)nc2[nH]ccc21)c1ccccc1 ZINC001227270630 776166712 /nfs/dbraw/zinc/16/67/12/776166712.db2.gz JFZNENHGJDTHIG-LBPRGKRZSA-N 0 1 280.287 2.697 20 30 CFEDMN C#CCCCCC(=O)NCCN[C@H](C)c1ccccc1F ZINC001125951415 776170664 /nfs/dbraw/zinc/17/06/64/776170664.db2.gz OWCBOVSJMKGJAG-CQSZACIVSA-N 0 1 290.382 2.786 20 30 CFEDMN C=C(C)CCC(=O)NC1CCN(C[C@H](F)CC)CC1 ZINC001227597101 776236789 /nfs/dbraw/zinc/23/67/89/776236789.db2.gz SIWKIGLKLFTWDP-CYBMUJFWSA-N 0 1 270.392 2.671 20 30 CFEDMN C=C[C@H](Oc1[nH]c(=S)nnc1C)c1ccccc1 ZINC001227599941 776237544 /nfs/dbraw/zinc/23/75/44/776237544.db2.gz BGZPTWNPXSSHNT-NSHDSACASA-N 0 1 259.334 2.775 20 30 CFEDMN C=C[C@@]1(C)CC[C@H](C(C)(C)Oc2[nH]c(=S)nnc2C)O1 ZINC001227598171 776237844 /nfs/dbraw/zinc/23/78/44/776237844.db2.gz GTVHFXLHYAAQQE-YGRLFVJLSA-N 0 1 295.408 2.750 20 30 CFEDMN CCCCCCCN1CC[C@@H]2C[C@@]21C(=O)Nc1cn[nH]c1 ZINC001277225120 776242491 /nfs/dbraw/zinc/24/24/91/776242491.db2.gz RCZFFBPWMDLSDT-CJNGLKHVSA-N 0 1 290.411 2.783 20 30 CFEDMN N#Cc1ccc(CN[C@H]2CCCc3n[nH]cc32)cc1F ZINC000334675404 776256564 /nfs/dbraw/zinc/25/65/64/776256564.db2.gz LWNRRCAWXNYGJF-AWEZNQCLSA-N 0 1 270.311 2.588 20 30 CFEDMN Cc1ccc(C#N)c(NC(=O)[C@@]23C[C@@H]2CCN3CC2CC2)c1 ZINC001277236484 776277182 /nfs/dbraw/zinc/27/71/82/776277182.db2.gz RQRLQAHTLRFANK-MAUKXSAKSA-N 0 1 295.386 2.680 20 30 CFEDMN C=C(C)CCC(=O)NC[C@@H]1CN(CC(CC)CC)CCO1 ZINC001268025385 776293262 /nfs/dbraw/zinc/29/32/62/776293262.db2.gz PTFWHSBRUCUOQU-MRXNPFEDSA-N 0 1 296.455 2.596 20 30 CFEDMN C=C[C@H](Oc1[nH]c(=O)nc2cc[nH]c21)c1ccccc1 ZINC001227810598 776297637 /nfs/dbraw/zinc/29/76/37/776297637.db2.gz VWVBISXKSSLTAB-LBPRGKRZSA-N 0 1 267.288 2.970 20 30 CFEDMN N#CC(C(=O)CCOCc1ccccc1)c1ccccn1 ZINC000125470332 776315630 /nfs/dbraw/zinc/31/56/30/776315630.db2.gz JAAPNEUIDIYEJP-OAHLLOKOSA-N 0 1 280.327 2.865 20 30 CFEDMN C=CCC[C@@H](C)N1CCO[C@@H](CNC(=O)C(C)(C)CC)C1 ZINC001268027999 776321387 /nfs/dbraw/zinc/32/13/87/776321387.db2.gz XIBLPNYEVRSNGZ-CABCVRRESA-N 0 1 296.455 2.594 20 30 CFEDMN C#CC[N@H+](C)[C@H]1CCCN(C(=O)C2(C3CCC3)CCC2)C1 ZINC001027509499 776340642 /nfs/dbraw/zinc/34/06/42/776340642.db2.gz CHVUZMKNBYOZGO-INIZCTEOSA-N 0 1 288.435 2.513 20 30 CFEDMN C=C(C)CN1CC[C@H]1CNC(=O)[C@@H]1CCc2ccccc2C1 ZINC001038755231 776369599 /nfs/dbraw/zinc/36/95/99/776369599.db2.gz MUMKDVRRBRCEHZ-MSOLQXFVSA-N 0 1 298.430 2.558 20 30 CFEDMN C=C(C)CN1CCC[C@@H]1CNC(=O)c1cccs1 ZINC001027733165 776431854 /nfs/dbraw/zinc/43/18/54/776431854.db2.gz WGEHUMZPDBDWPK-GFCCVEGCSA-N 0 1 264.394 2.518 20 30 CFEDMN C=CCc1cc(OC)c(O[C@@H]2CC[N@@H+](C)C2)c(OC)c1 ZINC001228423363 776486492 /nfs/dbraw/zinc/48/64/92/776486492.db2.gz IGRIBUBZGULTPE-CYBMUJFWSA-N 0 1 277.364 2.515 20 30 CFEDMN C=CCc1cc(OC)c(O[C@@H]2CCN(C)C2)c(OC)c1 ZINC001228423363 776486502 /nfs/dbraw/zinc/48/65/02/776486502.db2.gz IGRIBUBZGULTPE-CYBMUJFWSA-N 0 1 277.364 2.515 20 30 CFEDMN C=CCN1CCC[C@H]1CNC(=O)c1cccc(C)c1F ZINC001027893876 776496214 /nfs/dbraw/zinc/49/62/14/776496214.db2.gz DPIZUULBEKBMJK-ZDUSSCGKSA-N 0 1 276.355 2.514 20 30 CFEDMN C[C@@H](Oc1[nH]c(=O)ncc1Cl)c1ccccc1C#N ZINC001228482048 776503934 /nfs/dbraw/zinc/50/39/34/776503934.db2.gz IZRFUXLUNFQEPV-MRVPVSSYSA-N 0 1 275.695 2.847 20 30 CFEDMN C=CCC(CC=C)Oc1nc(Cl)nc2nc[nH]c21 ZINC001228506452 776508860 /nfs/dbraw/zinc/50/88/60/776508860.db2.gz VUIPLSYMEKLTQA-UHFFFAOYSA-N 0 1 264.716 2.906 20 30 CFEDMN C=C(C)CN1CCC[C@H]1CNC(=O)c1ccc(CC)o1 ZINC001027973039 776536371 /nfs/dbraw/zinc/53/63/71/776536371.db2.gz JCXWPPKXCWUZMX-ZDUSSCGKSA-N 0 1 276.380 2.612 20 30 CFEDMN C=C(C)CN1CCC[C@@H]1CNC(=O)c1occ2c1CCC2 ZINC001028051470 776572057 /nfs/dbraw/zinc/57/20/57/776572057.db2.gz MXZJOWDCLUWUTE-CQSZACIVSA-N 0 1 288.391 2.539 20 30 CFEDMN C=CCN1CCC[C@H]1CNC(=O)c1ccc(C)c(F)c1F ZINC001028154502 776666308 /nfs/dbraw/zinc/66/63/08/776666308.db2.gz LFEZBPKATYNAFC-LBPRGKRZSA-N 0 1 294.345 2.653 20 30 CFEDMN C=C1O[C@H](CC)C(=O)C1OCc1csc(C(=O)OC)c1 ZINC001223457411 776681886 /nfs/dbraw/zinc/68/18/86/776681886.db2.gz KBPANKNBKUEKDS-SNVBAGLBSA-N 0 1 296.344 2.661 20 30 CFEDMN C[C@H](CC(C)(C)S)Oc1nnc2c[nH]ccc1-2 ZINC001228995822 776682864 /nfs/dbraw/zinc/68/28/64/776682864.db2.gz ZISDCNBYTOAISS-MRVPVSSYSA-N 0 1 251.355 2.824 20 30 CFEDMN C=C1O[C@@H](C)C(=O)C1Oc1ccc(Cl)nc1Cl ZINC001229091360 776715168 /nfs/dbraw/zinc/71/51/68/776715168.db2.gz LRUSULKOMVYVSE-YFKPBYRVSA-N 0 1 274.103 2.987 20 30 CFEDMN C=CCC[C@H](C)N1CC(NC(=O)[C@H](C)CCCC)C1 ZINC001268296509 776742849 /nfs/dbraw/zinc/74/28/49/776742849.db2.gz NZYKLOQGJBCCNT-KGLIPLIRSA-N 0 1 266.429 2.968 20 30 CFEDMN C=CCC(C)(C)C(=O)NC1CCN(C[C@H](F)CC)CC1 ZINC001229376759 776794867 /nfs/dbraw/zinc/79/48/67/776794867.db2.gz IPBRUOLAXSJXAQ-CYBMUJFWSA-N 0 1 284.419 2.917 20 30 CFEDMN C=C[C@H](CCCC)Oc1nc(C)[nH]c(=O)c1[N+](=O)[O-] ZINC001229379126 776795175 /nfs/dbraw/zinc/79/51/75/776795175.db2.gz RDFFWWHLECTBEA-SECBINFHSA-N 0 1 267.285 2.522 20 30 CFEDMN CC/C=C(\C)C(=O)N(CC)CCNCC#Cc1ccccc1 ZINC001268440343 776808825 /nfs/dbraw/zinc/80/88/25/776808825.db2.gz QLMKORXURJLNIR-LICLKQGHSA-N 0 1 298.430 2.833 20 30 CFEDMN C#CCN1CCC[C@@H]1CNC(=O)c1ccc(CC(C)C)cc1 ZINC001028307073 776850717 /nfs/dbraw/zinc/85/07/17/776850717.db2.gz UGTSJJSJWVEIGE-GOSISDBHSA-N 0 1 298.430 2.713 20 30 CFEDMN C=C(C)C(C)(C)C(=O)N(CC)CCNCc1ccccn1 ZINC001268468670 776856023 /nfs/dbraw/zinc/85/60/23/776856023.db2.gz FJAKLKVVUSTDBV-UHFFFAOYSA-N 0 1 289.423 2.622 20 30 CFEDMN C=CC[N@@H+]1CCC[C@H]1CNC(=O)c1ccoc1C(C)C ZINC001028341683 776865948 /nfs/dbraw/zinc/86/59/48/776865948.db2.gz QUCLSZOBDGZVGD-ZDUSSCGKSA-N 0 1 276.380 2.783 20 30 CFEDMN C=CCN1CCC[C@H]1CNC(=O)c1ccoc1C(C)C ZINC001028341683 776865958 /nfs/dbraw/zinc/86/59/58/776865958.db2.gz QUCLSZOBDGZVGD-ZDUSSCGKSA-N 0 1 276.380 2.783 20 30 CFEDMN C=C(Cl)CN(C)C1CCN(C(=O)CCCC#CC)CC1 ZINC001277424142 776899323 /nfs/dbraw/zinc/89/93/23/776899323.db2.gz ZTLALWWDXJVURO-UHFFFAOYSA-N 0 1 296.842 2.855 20 30 CFEDMN C[C@H](CC(C)(C)S)Oc1nc[nH]c(=O)c1Cl ZINC001230016336 776939543 /nfs/dbraw/zinc/93/95/43/776939543.db2.gz GOYVPXBMDNHDBI-ZCFIWIBFSA-N 0 1 262.762 2.701 20 30 CFEDMN C[C@@H](Oc1nc[nH]c(=O)c1Cl)c1ccccc1C#N ZINC001230016791 776939604 /nfs/dbraw/zinc/93/96/04/776939604.db2.gz IDFZORXVMPKOAY-MRVPVSSYSA-N 0 1 275.695 2.847 20 30 CFEDMN C=CC[C@H](CCCC)Oc1nc(C(=O)OC)c[nH]1 ZINC001230282262 776972105 /nfs/dbraw/zinc/97/21/05/776972105.db2.gz SVHFTXNYQVIFMN-SNVBAGLBSA-N 0 1 252.314 2.710 20 30 CFEDMN C[C@H](CNCc1ccccc1C#N)NC(=O)C1(C)CC=CC1 ZINC001268660507 777012397 /nfs/dbraw/zinc/01/23/97/777012397.db2.gz OWCHUOATQRGHFE-CQSZACIVSA-N 0 1 297.402 2.509 20 30 CFEDMN C=CCCCCCN1CC[C@@H]1CN(C)C(=O)C(C)(F)F ZINC001230603153 777023481 /nfs/dbraw/zinc/02/34/81/777023481.db2.gz HSIOKRFSXWSAKO-CYBMUJFWSA-N 0 1 288.382 2.921 20 30 CFEDMN CC#CCN(C)C[C@@H](C)NC(=O)C[C@H]1CCc2ccccc21 ZINC001268752191 777044023 /nfs/dbraw/zinc/04/40/23/777044023.db2.gz OZUDKQJRYNVXPM-NVXWUHKLSA-N 0 1 298.430 2.566 20 30 CFEDMN C=CC[N@H+](C)C[C@@H](C)NC(=O)c1csc2c1CCCC2 ZINC001268756282 777046538 /nfs/dbraw/zinc/04/65/38/777046538.db2.gz IZDYUSPMSIBTKI-GFCCVEGCSA-N 0 1 292.448 2.863 20 30 CFEDMN C=CC[C@H](C(=O)NCC1CN(CC=C)C1)c1ccccc1 ZINC001268910707 777071893 /nfs/dbraw/zinc/07/18/93/777071893.db2.gz BXHORRRBURLBKB-KRWDZBQOSA-N 0 1 284.403 2.580 20 30 CFEDMN CCCCCCCN1C[C@@H]2C[C@H]1CN2C(=O)[C@@H](C)OCC ZINC001268926333 777075077 /nfs/dbraw/zinc/07/50/77/777075077.db2.gz AMNMCQNWURKDRP-PMPSAXMXSA-N 0 1 296.455 2.667 20 30 CFEDMN C#CC[C@H](CC)Oc1[nH]c(=O)nc2ccc(OC)cc21 ZINC001230862181 777076244 /nfs/dbraw/zinc/07/62/44/777076244.db2.gz MBDNKPCLVZKVOE-JTQLQIEISA-N 0 1 272.304 2.525 20 30 CFEDMN C#C[C@@H]1CCC[C@H]1Oc1[nH]c(=O)nc2ccc(OC)cc21 ZINC001230862723 777077660 /nfs/dbraw/zinc/07/76/60/777077660.db2.gz SYNVBXJJALXMBW-QMTHXVAHSA-N 0 1 284.315 2.525 20 30 CFEDMN C#C[C@@H](CC)Oc1[nH]c(=O)nc2cccc(Cl)c21 ZINC001230884879 777081772 /nfs/dbraw/zinc/08/17/72/777081772.db2.gz HSLFEJHJGPGAKK-QMMMGPOBSA-N 0 1 262.696 2.779 20 30 CFEDMN C=C[C@@H](Oc1nncc2n[nH]cc21)c1ccccc1 ZINC001230902042 777087834 /nfs/dbraw/zinc/08/78/34/777087834.db2.gz XOQBJGLJTHQFLP-CYBMUJFWSA-N 0 1 252.277 2.659 20 30 CFEDMN C=CCN1CC[C@H](NC(=O)C[C@@H](C)CCCCC)C1 ZINC001269069131 777096388 /nfs/dbraw/zinc/09/63/88/777096388.db2.gz JFMKWHJLTKDUMK-GJZGRUSLSA-N 0 1 266.429 2.969 20 30 CFEDMN C=C[C@H](C#CC(C)(C)C)Oc1nc(Cl)nc2[nH]ncc21 ZINC001231046952 777124904 /nfs/dbraw/zinc/12/49/04/777124904.db2.gz ABIYUJGJDBXJMU-SECBINFHSA-N 0 1 290.754 2.989 20 30 CFEDMN C#CCCCC(=O)NC[C@@H]1CCN1Cc1ccc(CC)cc1 ZINC001269222809 777144617 /nfs/dbraw/zinc/14/46/17/777144617.db2.gz IWYVYVUZKDIUMG-SFHVURJKSA-N 0 1 298.430 2.743 20 30 CFEDMN C=CCN1CC[C@H](N(C)C(=O)[C@@H](C)C(CC)CC)C1 ZINC001269250367 777150138 /nfs/dbraw/zinc/15/01/38/777150138.db2.gz DNDSTQWATDXHIU-ZFWWWQNUSA-N 0 1 266.429 2.777 20 30 CFEDMN C=CCOCCN1CC[C@H]1CN(C)C(=O)C[C@@H](C)CCC ZINC001231139482 777153755 /nfs/dbraw/zinc/15/37/55/777153755.db2.gz OZWAJQXTBTVISF-HOTGVXAUSA-N 0 1 296.455 2.548 20 30 CFEDMN C=C(C)CN1CC[C@H]1CNC(=O)C(CCC)CCC ZINC001269279247 777157436 /nfs/dbraw/zinc/15/74/36/777157436.db2.gz XQBMUOBEQKJHNB-HNNXBMFYSA-N 0 1 266.429 2.969 20 30 CFEDMN C=CCCC(=O)N(CC)[C@@H]1CCN(C[C@@H](F)CC)C1 ZINC001269311886 777165767 /nfs/dbraw/zinc/16/57/67/777165767.db2.gz ALFONRJDGCEMAF-UONOGXRCSA-N 0 1 270.392 2.624 20 30 CFEDMN C=C(C)CN1CC[C@@H]1CN(C)C(=O)[C@H](C)CCC ZINC001231262223 777177175 /nfs/dbraw/zinc/17/71/75/777177175.db2.gz CZBGQIVYDPXYBA-ZIAGYGMSSA-N 0 1 252.402 2.531 20 30 CFEDMN C=CCCC(=O)NCC1(NCc2cc(F)ccc2F)CC1 ZINC001269383503 777181643 /nfs/dbraw/zinc/18/16/43/777181643.db2.gz JDDFRTVOAUZDNP-UHFFFAOYSA-N 0 1 294.345 2.669 20 30 CFEDMN C=C(Cl)CN[C@H](CC)CNC(=O)C[C@H]1C=CCCC1 ZINC001269426546 777188012 /nfs/dbraw/zinc/18/80/12/777188012.db2.gz ZNSZNILSKUYNBO-UONOGXRCSA-N 0 1 284.831 2.970 20 30 CFEDMN C=CCCCC(=O)NCC1(NCc2ccccc2F)CC1 ZINC001269480209 777195689 /nfs/dbraw/zinc/19/56/89/777195689.db2.gz CMSHAUAVFOVIGC-UHFFFAOYSA-N 0 1 290.382 2.920 20 30 CFEDMN CC#CC[C@@H](CC)Oc1[nH]c(=O)nc2c(OC)cccc21 ZINC001231347442 777197326 /nfs/dbraw/zinc/19/73/26/777197326.db2.gz LIKGORZMFPMNAI-LLVKDONJSA-N 0 1 286.331 2.915 20 30 CFEDMN N#Cc1ccc2c(c1)CN(Cc1c[nH]c3cccnc13)CC2 ZINC001231487279 777237274 /nfs/dbraw/zinc/23/72/74/777237274.db2.gz LVBQVAWCTAGQKE-UHFFFAOYSA-N 0 1 288.354 2.993 20 30 CFEDMN C=CCC[C@@H](C)N1CC(N(C)C(=O)c2ccccc2F)C1 ZINC001269750388 777241600 /nfs/dbraw/zinc/24/16/00/777241600.db2.gz CGOCWNBZROAEQR-CYBMUJFWSA-N 0 1 290.382 2.937 20 30 CFEDMN CCOc1ccc(CN(C)Cc2ccc(C#N)cc2)cn1 ZINC001231653388 777294442 /nfs/dbraw/zinc/29/44/42/777294442.db2.gz QGTVXVBTMRDRQM-UHFFFAOYSA-N 0 1 281.359 2.984 20 30 CFEDMN COc1ccc(C[N@H+]2CCC[C@H](C#N)CC2)cc1C(=O)[O-] ZINC001231753420 777325350 /nfs/dbraw/zinc/32/53/50/777325350.db2.gz GJDMOWGDOUQVIP-LBPRGKRZSA-N 0 1 288.347 2.519 20 30 CFEDMN C=C1O[C@@H](C)C(=O)C1Oc1cc(F)c(F)c(F)c1 ZINC001225911644 777334036 /nfs/dbraw/zinc/33/40/36/777334036.db2.gz RWVVXQSZEXOBPW-YFKPBYRVSA-N 0 1 258.195 2.702 20 30 CFEDMN C=CC[N@@H+](Cc1ccccc1OCC(=O)[O-])C(C)(C)C ZINC001231793734 777338475 /nfs/dbraw/zinc/33/84/75/777338475.db2.gz ICKCTAAPDGCNOX-UHFFFAOYSA-N 0 1 277.364 2.937 20 30 CFEDMN C=C(C)C[N@H+](CC)Cc1ccccc1OCC(=O)[O-] ZINC001231797781 777339953 /nfs/dbraw/zinc/33/99/53/777339953.db2.gz XEWPAGZZYHKPDH-UHFFFAOYSA-N 0 1 263.337 2.548 20 30 CFEDMN CCCCCCCN1CC(N(C)C(=O)[C@@H]2CCCOC2)C1 ZINC001277571144 777342820 /nfs/dbraw/zinc/34/28/20/777342820.db2.gz RYXOMFFYRPHNJO-OAHLLOKOSA-N 0 1 296.455 2.526 20 30 CFEDMN C=CCC(CC=C)C(=O)N(C)C1CN(CCCC)C1 ZINC001277598105 777408351 /nfs/dbraw/zinc/40/83/51/777408351.db2.gz QDCNFJKAOGJTMS-UHFFFAOYSA-N 0 1 264.413 2.698 20 30 CFEDMN CCCCC1CCC(C(=O)C(C#N)C(=O)NC2CC2)CC1 ZINC000129383127 777431415 /nfs/dbraw/zinc/43/14/15/777431415.db2.gz AOZMWSBWZKPCDX-SSDMNJCBSA-N 0 1 290.407 2.970 20 30 CFEDMN CC1(C#N)CCN(Cc2cc3ccncc3[nH]2)CC1 ZINC001232095658 777438432 /nfs/dbraw/zinc/43/84/32/777438432.db2.gz NCRULOYVLQLQMP-UHFFFAOYSA-N 0 1 254.337 2.689 20 30 CFEDMN C[C@@H]1CC[C@@H](O)CN1Cc1ccc(C#N)c(Cl)c1 ZINC001232112511 777443479 /nfs/dbraw/zinc/44/34/79/777443479.db2.gz WTZKHHAGODBZQK-ZWNOBZJWSA-N 0 1 264.756 2.557 20 30 CFEDMN N#Cc1ccc(CN2CC[C@H]3OCC[C@@H]3C2)cc1Cl ZINC001232116561 777445187 /nfs/dbraw/zinc/44/51/87/777445187.db2.gz NKFLPKGBSBWINO-UKRRQHHQSA-N 0 1 276.767 2.822 20 30 CFEDMN CC#CC(=O)N1CC2(CCN2C[C@@H](CC)CCCC)C1 ZINC001270712961 777464443 /nfs/dbraw/zinc/46/44/43/777464443.db2.gz MUDGZNDOVGAYHY-HNNXBMFYSA-N 0 1 276.424 2.513 20 30 CFEDMN C=CC(C)(C)C(=O)N(C)C1CN(CCC(C)(C)C)C1 ZINC001277636902 777495291 /nfs/dbraw/zinc/49/52/91/777495291.db2.gz PZUCDGMUDBJHJE-UHFFFAOYSA-N 0 1 266.429 2.777 20 30 CFEDMN C=CCC[C@H](C)N1CC(N(C)C(=O)C(C)(C)CC)C1 ZINC001277652192 777533405 /nfs/dbraw/zinc/53/34/05/777533405.db2.gz ONUZDWSKOYPYGX-ZDUSSCGKSA-N 0 1 266.429 2.920 20 30 CFEDMN C=CC[C@H](C=C)Oc1[nH]c(=O)nc2ccc(F)cc21 ZINC001226407151 777534393 /nfs/dbraw/zinc/53/43/93/777534393.db2.gz LHVKHEOIYRQLLJ-JTQLQIEISA-N 0 1 260.268 2.984 20 30 CFEDMN C=CCCCN1CC(N(C)C(=O)[C@]23C[C@H]2CCCC3)C1 ZINC001277659504 777545925 /nfs/dbraw/zinc/54/59/25/777545925.db2.gz HUWXEMNJCOSOAE-RHSMWYFYSA-N 0 1 276.424 2.676 20 30 CFEDMN Cc1nc(CN2CCC(c3cccc(C#N)c3)CC2)c[nH]1 ZINC001232462720 777568852 /nfs/dbraw/zinc/56/88/52/777568852.db2.gz SASISOAMCIGMFR-UHFFFAOYSA-N 0 1 280.375 2.969 20 30 CFEDMN CNc1ccccc1CN1CCC2SC(=O)C=C2C1 ZINC001232668760 777635279 /nfs/dbraw/zinc/63/52/79/777635279.db2.gz PGDSMVMRDYWPKZ-AWEZNQCLSA-N 0 1 274.389 2.502 20 30 CFEDMN CO[C@H]1CCC[C@@H]2C[N@@H+](Cc3cc(C#N)ccc3[O-])C[C@@H]21 ZINC001232675699 777638170 /nfs/dbraw/zinc/63/81/70/777638170.db2.gz DFBZSFQGAKCQGR-KMFMINBZSA-N 0 1 286.375 2.511 20 30 CFEDMN N#Cc1ccc([O-])c(C[N@H+]2CC[C@H]3CCC[C@H]3C2)c1 ZINC001232676085 777638702 /nfs/dbraw/zinc/63/87/02/777638702.db2.gz YKSZFOXBFCGVRE-KGLIPLIRSA-N 0 1 256.349 2.886 20 30 CFEDMN COc1ccc2c(c1)CC[N@H+](Cc1cc(C#N)ccc1[O-])C2 ZINC001232674079 777638841 /nfs/dbraw/zinc/63/88/41/777638841.db2.gz RJWPPUGQUUWXAW-UHFFFAOYSA-N 0 1 294.354 2.831 20 30 CFEDMN N#Cc1ccc([O-])c(C[N@H+]2CCCC[C@@H]2CN2CCCC2)c1 ZINC001232679548 777639767 /nfs/dbraw/zinc/63/97/67/777639767.db2.gz NMOIBHMXZRCHIP-QGZVFWFLSA-N 0 1 299.418 2.714 20 30 CFEDMN COC(=O)c1ccc(CN2CCC(S)CC2)cc1F ZINC001232705443 777645340 /nfs/dbraw/zinc/64/53/40/777645340.db2.gz FGOIFHVOJCZGTG-UHFFFAOYSA-N 0 1 283.368 2.507 20 30 CFEDMN N#Cc1ccc2c(c1)CN(Cc1ccc(CCO)cc1)CC2 ZINC001232773618 777662550 /nfs/dbraw/zinc/66/25/50/777662550.db2.gz FYKKICNXFXUNQZ-UHFFFAOYSA-N 0 1 292.382 2.651 20 30 CFEDMN C=CCN1CC[C@H](NC(=O)c2cc(OC)cs2)[C@H]1CC ZINC001087683043 777677710 /nfs/dbraw/zinc/67/77/10/777677710.db2.gz FXEYEUNSZHXYPK-QWHCGFSZSA-N 0 1 294.420 2.525 20 30 CFEDMN C#CCN1CC[C@H](NC(=O)C2(C)CCCCC2)[C@H]1CC ZINC001087711994 777685698 /nfs/dbraw/zinc/68/56/98/777685698.db2.gz KJXBFYAQBARGRQ-LSDHHAIUSA-N 0 1 276.424 2.559 20 30 CFEDMN Cc1cccc(O[C@@H]2CC[N@@H+](Cc3ccc(C#N)s3)C2)n1 ZINC001232844994 777691451 /nfs/dbraw/zinc/69/14/51/777691451.db2.gz IHWAIOCZDCOEPC-CYBMUJFWSA-N 0 1 299.399 2.977 20 30 CFEDMN Cc1cccc(O[C@@H]2CCN(Cc3ccc(C#N)s3)C2)n1 ZINC001232844994 777691456 /nfs/dbraw/zinc/69/14/56/777691456.db2.gz IHWAIOCZDCOEPC-CYBMUJFWSA-N 0 1 299.399 2.977 20 30 CFEDMN N#Cc1ccc(C[N@H+]2CC[C@]3(C2)CCCCO3)s1 ZINC001232844593 777691527 /nfs/dbraw/zinc/69/15/27/777691527.db2.gz VWRYSEJXDUHQAW-AWEZNQCLSA-N 0 1 262.378 2.765 20 30 CFEDMN N#Cc1ccc(CN2CC[C@]3(C2)CCCCO3)s1 ZINC001232844593 777691533 /nfs/dbraw/zinc/69/15/33/777691533.db2.gz VWRYSEJXDUHQAW-AWEZNQCLSA-N 0 1 262.378 2.765 20 30 CFEDMN CCOC(=O)[C@H]1CCCCN(Cc2ccc(C#N)s2)C1 ZINC001232845924 777691840 /nfs/dbraw/zinc/69/18/40/777691840.db2.gz XYMOVSLWJYLZES-LBPRGKRZSA-N 0 1 292.404 2.785 20 30 CFEDMN CCOC(=O)[C@@H]1CCCCN(Cc2ccc(C#N)s2)C1 ZINC001232845923 777692207 /nfs/dbraw/zinc/69/22/07/777692207.db2.gz XYMOVSLWJYLZES-GFCCVEGCSA-N 0 1 292.404 2.785 20 30 CFEDMN C=C(C)C(C)(C)C(=O)N1C[C@H]2CC[C@@H](C1)N2CCCF ZINC001029419813 777699051 /nfs/dbraw/zinc/69/90/51/777699051.db2.gz JOCBNQRFVVQAIT-OKILXGFUSA-N 0 1 282.403 2.624 20 30 CFEDMN C#CCN1CC[C@H](NC(=O)[C@H]2CC[C@H](CC)CC2)[C@H]1CC ZINC001087803548 777701836 /nfs/dbraw/zinc/70/18/36/777701836.db2.gz CAEJMDKNOJFICA-LUKYLMHMSA-N 0 1 290.451 2.805 20 30 CFEDMN C=CCN1CC[C@H](NC(=O)c2ccc(C(F)F)o2)[C@H]1CC ZINC001087813752 777704476 /nfs/dbraw/zinc/70/44/76/777704476.db2.gz FKUJPQOMSMOOPF-WDEREUQCSA-N 0 1 298.333 2.986 20 30 CFEDMN C#CCN1CC[C@H](NC(=O)c2cccc(C)c2C)[C@H]1CC ZINC001087815799 777704937 /nfs/dbraw/zinc/70/49/37/777704937.db2.gz CVNYEHMPFRILAI-DLBZAZTESA-N 0 1 284.403 2.519 20 30 CFEDMN C#CCN1CC[C@H](NC(=O)c2ccc(C)c(C)c2)[C@H]1CC ZINC001087818369 777707225 /nfs/dbraw/zinc/70/72/25/777707225.db2.gz OWIUHCGWRLHQAJ-DLBZAZTESA-N 0 1 284.403 2.519 20 30 CFEDMN C[C@@H]1CCN[C@H](c2nc(-c3cc(C#N)ccc3F)no2)C1 ZINC001211880608 777713126 /nfs/dbraw/zinc/71/31/26/777713126.db2.gz KIYFYCWDCVLQRX-RNCFNFMXSA-N 0 1 286.310 2.808 20 30 CFEDMN Cc1ccc(CN2CCC(n3ccnc3)CC2)c(C#N)c1 ZINC001232967294 777742455 /nfs/dbraw/zinc/74/24/55/777742455.db2.gz HIQOGIBAAUTUFK-UHFFFAOYSA-N 0 1 280.375 2.900 20 30 CFEDMN CC(=O)N1CC[C@@H](N(Cc2ccc(C)cc2C#N)C(C)C)C1 ZINC001232969070 777745129 /nfs/dbraw/zinc/74/51/29/777745129.db2.gz XHQXARSGCHGERZ-GOSISDBHSA-N 0 1 299.418 2.698 20 30 CFEDMN C=CCN1CCN(Cc2ccc(C3CC3)cc2)CC1 ZINC001232983216 777751566 /nfs/dbraw/zinc/75/15/66/777751566.db2.gz LHYYMRJULHZPBA-UHFFFAOYSA-N 0 1 256.393 2.868 20 30 CFEDMN C=C1O[C@H](C)C(=O)C1Oc1ccnc(C(F)(F)F)c1 ZINC001227073990 777757068 /nfs/dbraw/zinc/75/70/68/777757068.db2.gz RVRGCNRTGSOHCB-ZCFIWIBFSA-N 0 1 273.210 2.699 20 30 CFEDMN C=C(Cl)CN1CC[C@@H]2CN(C(=O)C3=CCCC3)C[C@@H]2C1 ZINC001087932900 777759419 /nfs/dbraw/zinc/75/94/19/777759419.db2.gz RISFVWGZLXYJDA-CABCVRRESA-N 0 1 294.826 2.630 20 30 CFEDMN CCCNC(=O)[C@H]1CCCCN1Cc1ccc(C#N)cc1C ZINC001233083067 777793689 /nfs/dbraw/zinc/79/36/89/777793689.db2.gz TUKNCPACXYADSZ-QGZVFWFLSA-N 0 1 299.418 2.747 20 30 CFEDMN CO[C@H]1CCN(Cc2ccc(C#N)c(SC)n2)[C@@H](C)C1 ZINC001141948428 777797056 /nfs/dbraw/zinc/79/70/56/777797056.db2.gz XUDORVHTPIZWKP-FZMZJTMJSA-N 0 1 291.420 2.674 20 30 CFEDMN N#CCC1CCN(Cc2cc(F)c(F)cc2N)CC1 ZINC001233381342 777925127 /nfs/dbraw/zinc/92/51/27/777925127.db2.gz ZXYNTZUTROCQFR-UHFFFAOYSA-N 0 1 265.307 2.673 20 30 CFEDMN CCN1CCC[C@@H](Oc2ccccc2C(=O)CC#N)C1 ZINC001233523625 777978468 /nfs/dbraw/zinc/97/84/68/777978468.db2.gz DHQKPQBUHBLDHL-CYBMUJFWSA-N 0 1 272.348 2.646 20 30 CFEDMN N#Cc1ccc(Cl)cc1O[C@H]1CN2CCC1CC2 ZINC001228083832 778009347 /nfs/dbraw/zinc/00/93/47/778009347.db2.gz FDKUVDCQRULXNS-AWEZNQCLSA-N 0 1 262.740 2.685 20 30 CFEDMN C=C(C)CN1CC[C@@H]1CN(C)C(=O)C=C(CC)CC ZINC001233644851 778023465 /nfs/dbraw/zinc/02/34/65/778023465.db2.gz UDLDWGATGFKHCO-OAHLLOKOSA-N 0 1 264.413 2.842 20 30 CFEDMN C[C@@H]1CCCN(Cc2ccc(F)cc2C#N)[C@H]1CCO ZINC000697208616 778150181 /nfs/dbraw/zinc/15/01/81/778150181.db2.gz QNOPJIUGGWVFDE-WBMJQRKESA-N 0 1 276.355 2.680 20 30 CFEDMN CN(C[C@H]1CCN1CCCCCF)C(=O)C#CC(C)(C)C ZINC001234215876 778187475 /nfs/dbraw/zinc/18/74/75/778187475.db2.gz QEWVXDDVDQMMON-OAHLLOKOSA-N 0 1 296.430 2.708 20 30 CFEDMN C=C1O[C@@H](C)C(=O)C1Oc1ccc(OC)c(Cl)c1 ZINC001234222612 778189288 /nfs/dbraw/zinc/18/92/88/778189288.db2.gz XTWUHSYJXJRUQB-ZETCQYMHSA-N 0 1 268.696 2.947 20 30 CFEDMN C=C1O[C@H](C)C(=O)C1Oc1cc(F)c(OC)cc1F ZINC001234270479 778197314 /nfs/dbraw/zinc/19/73/14/778197314.db2.gz HNGUKVSJMJIQNY-ZCFIWIBFSA-N 0 1 270.231 2.572 20 30 CFEDMN C=C[C@@H](CCC)Oc1cc(O)c(C(=O)OC)cc1[N+](=O)[O-] ZINC001228813575 778199019 /nfs/dbraw/zinc/19/90/19/778199019.db2.gz DEQCATXFBRGEDJ-VIFPVBQESA-N 0 1 295.291 2.821 20 30 CFEDMN C=C(C)CN1CC[C@H]1CN(C)C(=O)[C@]1(C)CC=CCC1 ZINC001234525344 778243465 /nfs/dbraw/zinc/24/34/65/778243465.db2.gz BDTNYSMRTRUVPC-DOTOQJQBSA-N 0 1 276.424 2.842 20 30 CFEDMN C=CCOCc1nn(C2CCC(C)CC2)c2c1CNC2 ZINC001168213445 778253994 /nfs/dbraw/zinc/25/39/94/778253994.db2.gz YBONVEHRBHDGKO-UHFFFAOYSA-N 0 1 275.396 2.940 20 30 CFEDMN C=C[C@@H](Oc1nc(F)nc2nc[nH]c21)c1ccccc1 ZINC001234691099 778288432 /nfs/dbraw/zinc/28/84/32/778288432.db2.gz DUFLRADFIOHGHG-SNVBAGLBSA-N 0 1 270.267 2.798 20 30 CFEDMN C=C(C)C[C@@H](Oc1nc(F)nc2nc[nH]c21)C(=C)C ZINC001234693959 778291175 /nfs/dbraw/zinc/29/11/75/778291175.db2.gz UWUYJOLWGRCSTO-SECBINFHSA-N 0 1 262.288 2.782 20 30 CFEDMN N#Cc1cc(Nc2ccc3nc(N)ncc3c2)c(O)cc1F ZINC001213113813 778324154 /nfs/dbraw/zinc/32/41/54/778324154.db2.gz VYEDCXOKDMPCKZ-UHFFFAOYSA-N 0 1 295.277 2.672 20 30 CFEDMN C=CCN1CC[C@H](NC(=O)c2ccc3cc(C)cn3c2)[C@H]1C ZINC001088610761 778340218 /nfs/dbraw/zinc/34/02/18/778340218.db2.gz JIGQXSAZWWLSRE-PBHICJAKSA-N 0 1 297.402 2.626 20 30 CFEDMN C#CCN1CC[C@H](NC(=O)c2coc3c2cccc3C)[C@H]1C ZINC001088624725 778370614 /nfs/dbraw/zinc/37/06/14/778370614.db2.gz XHIFZAYZSWJGQW-CJNGLKHVSA-N 0 1 296.370 2.567 20 30 CFEDMN CCCN(CCC#N)[C@@H]1Cc2ccc(OC)cc2C1 ZINC001168278046 778375311 /nfs/dbraw/zinc/37/53/11/778375311.db2.gz BBEDVKLNAMBZKX-OAHLLOKOSA-N 0 1 258.365 2.788 20 30 CFEDMN C=C(C)C(=O)NCCCc1nc2ccc(Cl)cc2[nH]1 ZINC001142515323 778397488 /nfs/dbraw/zinc/39/74/88/778397488.db2.gz GNZYIEHOGBLQGC-UHFFFAOYSA-N 0 1 277.755 2.841 20 30 CFEDMN C[C@H](C#N)N(C)Cc1cc(F)cc(Br)c1O ZINC001235306293 778451976 /nfs/dbraw/zinc/45/19/76/778451976.db2.gz SSNQWWHQGCYDRU-SSDOTTSWSA-N 0 1 287.132 2.638 20 30 CFEDMN CCCC[C@@H](CC)CN1CCO[C@H]2CN(CCC#N)C[C@H]21 ZINC001277936873 778455927 /nfs/dbraw/zinc/45/59/27/778455927.db2.gz SGHAZPAWCHMRIM-ZACQAIPSSA-N 0 1 293.455 2.501 20 30 CFEDMN C=CCN1CC[C@H](NC(=O)c2ccc(C)c(F)c2)[C@H]1C ZINC001088721541 778458421 /nfs/dbraw/zinc/45/84/21/778458421.db2.gz SWJQPJZAUUKXCN-DOMZBBRYSA-N 0 1 276.355 2.513 20 30 CFEDMN C=C(C)CN1CC[C@@H]1CN(C)C(=O)CCc1ccsc1 ZINC001235372674 778470777 /nfs/dbraw/zinc/47/07/77/778470777.db2.gz AMRASBFGTLSXHJ-OAHLLOKOSA-N 0 1 292.448 2.790 20 30 CFEDMN C=CCN1CC[C@H](NC(=O)c2cc3ccsc3[nH]2)[C@H]1C ZINC001088782279 778489561 /nfs/dbraw/zinc/48/95/61/778489561.db2.gz JITDMCCUTDFDKC-PWSUYJOCSA-N 0 1 289.404 2.608 20 30 CFEDMN C#CCCN1CC[C@H]1CN(C)C(=O)C(C)(C)C1CCCC1 ZINC001235436869 778491002 /nfs/dbraw/zinc/49/10/02/778491002.db2.gz APFVNGQILZTGBE-INIZCTEOSA-N 0 1 290.451 2.759 20 30 CFEDMN C#CCCN1CC[C@@H]1CN(C)C(=O)C1(C)CCCCCC1 ZINC001235456378 778496141 /nfs/dbraw/zinc/49/61/41/778496141.db2.gz UZFCRFXEIFGLAT-MRXNPFEDSA-N 0 1 290.451 2.903 20 30 CFEDMN CC(C)[C@@H]1COCCN1Cc1ccccc1CC#N ZINC001235527096 778511728 /nfs/dbraw/zinc/51/17/28/778511728.db2.gz HWHAZLLDHITNTA-INIZCTEOSA-N 0 1 258.365 2.609 20 30 CFEDMN CC(C)N(C)CC(=O)Nc1ccc([C@H](C)C#N)cc1 ZINC001142588100 778513389 /nfs/dbraw/zinc/51/33/89/778513389.db2.gz JJMXSUZCULYVGT-GFCCVEGCSA-N 0 1 259.353 2.592 20 30 CFEDMN C=C(C)CN1CC[C@H]1CN(C)C(=O)[C@@H](C)C1CCC1 ZINC001235744192 778552113 /nfs/dbraw/zinc/55/21/13/778552113.db2.gz VPRZIJWCXKNMCD-ZFWWWQNUSA-N 0 1 264.413 2.531 20 30 CFEDMN C=C(C)CN1CC[C@H]1CN(C)C(=O)C[C@@H]1C=CCCC1 ZINC001235757372 778553621 /nfs/dbraw/zinc/55/36/21/778553621.db2.gz HCHIGIQCMRURDI-CVEARBPZSA-N 0 1 276.424 2.842 20 30 CFEDMN C=CCN1C[C@@H]2CCN(C(=O)c3c(C)oc(C)c3C)[C@@H]2C1 ZINC001076012343 778558302 /nfs/dbraw/zinc/55/83/02/778558302.db2.gz AKXDZCDZANHATA-LSDHHAIUSA-N 0 1 288.391 2.537 20 30 CFEDMN CCOC(=O)c1ccc(CN2[C@@H]3CC[C@H]2C[C@H](C#N)C3)nc1 ZINC001235874659 778587038 /nfs/dbraw/zinc/58/70/38/778587038.db2.gz OJTYFAJHXMJSBD-DVSIDAKKSA-N 0 1 299.374 2.525 20 30 CFEDMN C=C(C)CCN1CC[C@H]1CNC(=O)c1ccc(Cl)o1 ZINC001038065438 778592510 /nfs/dbraw/zinc/59/25/10/778592510.db2.gz TVKPPKVEXJLIII-NSHDSACASA-N 0 1 282.771 2.703 20 30 CFEDMN CN1CCN(c2ccc(-c3ccccc3CC#N)cn2)CC1 ZINC001235973342 778635185 /nfs/dbraw/zinc/63/51/85/778635185.db2.gz PDEGVGVEWWGJAV-UHFFFAOYSA-N 0 1 292.386 2.566 20 30 CFEDMN N#CCc1ccnc(-c2c(F)cc(F)c(O)c2F)c1 ZINC001235988904 778642066 /nfs/dbraw/zinc/64/20/66/778642066.db2.gz BQICUUOWSHWXDI-UHFFFAOYSA-N 0 1 264.206 2.938 20 30 CFEDMN N#Cc1ccc(-c2c(F)cc(F)c(O)c2F)nc1F ZINC001235989854 778642876 /nfs/dbraw/zinc/64/28/76/778642876.db2.gz KPHTUJMLDJTYRU-UHFFFAOYSA-N 0 1 268.169 2.882 20 30 CFEDMN N#CCc1ccc(-c2c(F)cc(F)c(O)c2F)cn1 ZINC001235999072 778649950 /nfs/dbraw/zinc/64/99/50/778649950.db2.gz WUWIIFPDGOLEFF-UHFFFAOYSA-N 0 1 264.206 2.938 20 30 CFEDMN CN[C@@H]1CCN1Cc1ccccc1C#Cc1ccccc1 ZINC001236166878 778723256 /nfs/dbraw/zinc/72/32/56/778723256.db2.gz JFPPOZKYLHJWBA-IBGZPJMESA-N 0 1 276.383 2.838 20 30 CFEDMN COC(=O)c1ccc(-c2c(F)ccc(C)c2O)c(C#N)n1 ZINC001236405931 778804892 /nfs/dbraw/zinc/80/48/92/778804892.db2.gz LVIYPNLTRXGHIR-UHFFFAOYSA-N 0 1 286.262 2.560 20 30 CFEDMN C#CCN1CC[C@H](NC(=O)c2ccccc2C2(C)CC2)[C@H]1C ZINC001088852471 778891481 /nfs/dbraw/zinc/89/14/81/778891481.db2.gz QRDWHVLNCHKYRQ-PBHICJAKSA-N 0 1 296.414 2.564 20 30 CFEDMN N#CC(C(=O)CC1CCCC1)c1nnc2n1CCCCC2 ZINC000060851165 778897124 /nfs/dbraw/zinc/89/71/24/778897124.db2.gz OZRDLHBJPUBJKB-CYBMUJFWSA-N 0 1 286.379 2.761 20 30 CFEDMN N#C[C@H]1CN(Cc2cccc3sccc32)CCC1=O ZINC001236688405 778910290 /nfs/dbraw/zinc/91/02/90/778910290.db2.gz CQVJYIVLEYTWAW-LBPRGKRZSA-N 0 1 270.357 2.816 20 30 CFEDMN C=CCN1CC(C)(C)CC[C@H]1CNC(=O)[C@H](CC)SC ZINC001099022865 778920635 /nfs/dbraw/zinc/92/06/35/778920635.db2.gz JNHBSXIRYSPTLF-KBPBESRZSA-N 0 1 298.496 2.921 20 30 CFEDMN C#CCN1CC[C@H](NC(=O)[C@]2(C)CC[C@H](C)C2(C)C)[C@H]1C ZINC001088899349 778941712 /nfs/dbraw/zinc/94/17/12/778941712.db2.gz ABYUZXXVYUSKAT-KRXQYRFLSA-N 0 1 290.451 2.661 20 30 CFEDMN C=C(C)CCN1CC(NC(=O)c2c(C)[nH]c3ccccc32)C1 ZINC001030640576 778950318 /nfs/dbraw/zinc/95/03/18/778950318.db2.gz HILBFBAFGMVQFJ-UHFFFAOYSA-N 0 1 297.402 2.857 20 30 CFEDMN C=C(C)CN1CC[C@H](NC(=O)c2csc(Cl)n2)[C@H]1C ZINC001088961498 778961856 /nfs/dbraw/zinc/96/18/56/778961856.db2.gz HERSUJQBYQGCGC-ZJUUUORDSA-N 0 1 299.827 2.565 20 30 CFEDMN C#CCN1CC[C@H](NC(=O)c2ccc3ccccc3c2)[C@H]1C ZINC001088998681 778971020 /nfs/dbraw/zinc/97/10/20/778971020.db2.gz KDIRVPURMZUBDE-KDOFPFPSSA-N 0 1 292.382 2.666 20 30 CFEDMN CC#CCN1CC[C@H](NC(=O)c2c(C)cc(C)cc2C)[C@H]1C ZINC001089024643 778976306 /nfs/dbraw/zinc/97/63/06/778976306.db2.gz PQUOMLXKNGOACT-SJORKVTESA-N 0 1 298.430 2.828 20 30 CFEDMN CC#CCN1CC[C@H](NC(=O)C2(C)C(C)(C)C2(C)C)[C@H]1C ZINC001089078466 778990035 /nfs/dbraw/zinc/99/00/35/778990035.db2.gz XABGLQMKHHQVIA-KGLIPLIRSA-N 0 1 290.451 2.661 20 30 CFEDMN C=C(C)CCN1CC(NC(=O)CC2CC(C)(C)C2)C1 ZINC001030831997 779046044 /nfs/dbraw/zinc/04/60/44/779046044.db2.gz XBVYAIBSQUETAX-UHFFFAOYSA-N 0 1 264.413 2.579 20 30 CFEDMN N#Cc1ccc(O)c(NC(=O)CC[C@@H]2CCCCO2)c1 ZINC000176393396 779122289 /nfs/dbraw/zinc/12/22/89/779122289.db2.gz BOPSPRQLDPFOCH-LBPRGKRZSA-N 0 1 274.320 2.552 20 30 CFEDMN COc1ccccc1CCC(=O)Nc1cc(C#N)ccc1O ZINC000176403174 779124616 /nfs/dbraw/zinc/12/46/16/779124616.db2.gz BBKHXOREIHJNCL-UHFFFAOYSA-N 0 1 296.326 2.844 20 30 CFEDMN Cc1cc(C(=O)Nc2cc(C#N)ccc2O)nn1C(C)(C)C ZINC000176406006 779125161 /nfs/dbraw/zinc/12/51/61/779125161.db2.gz IIQIOTBGWYRSQF-UHFFFAOYSA-N 0 1 298.346 2.776 20 30 CFEDMN N#Cc1ccc(O)c(NC(=O)Cc2cc(F)ccc2F)c1 ZINC000176407289 779125605 /nfs/dbraw/zinc/12/56/05/779125605.db2.gz FWVYBGDWVDOBEW-UHFFFAOYSA-N 0 1 288.253 2.723 20 30 CFEDMN C=C(Cl)CN1CC[C@@H](NC(=O)CC)CC(C)(C)C1 ZINC001089282872 779129253 /nfs/dbraw/zinc/12/92/53/779129253.db2.gz ARRCAOLISLPMQR-GFCCVEGCSA-N 0 1 272.820 2.756 20 30 CFEDMN C[C@]1(F)CCCN(Cc2cn3cc(C#N)ccc3n2)CC1 ZINC001237608424 779141781 /nfs/dbraw/zinc/14/17/81/779141781.db2.gz GKXRRJBFLJFBKW-INIZCTEOSA-N 0 1 286.354 2.920 20 30 CFEDMN N#Cc1ccc2nc(CN3CC4CCC(CC4)C3)cn2c1 ZINC001237616679 779144055 /nfs/dbraw/zinc/14/40/55/779144055.db2.gz DXFGYCRPVBGUTQ-UHFFFAOYSA-N 0 1 280.375 2.828 20 30 CFEDMN C[C@H]1CCCN(Cc2cn3cc(C#N)ccc3n2)[C@H]1C ZINC001237615679 779144342 /nfs/dbraw/zinc/14/43/42/779144342.db2.gz YLHLSPOTWGSPHE-STQMWFEESA-N 0 1 268.364 2.826 20 30 CFEDMN C[C@H]1CC[C@@H](CO)N1Cc1cc(Cl)cc(C#N)c1 ZINC001237745744 779173074 /nfs/dbraw/zinc/17/30/74/779173074.db2.gz IBKGJROHJKUCLV-HZMBPMFUSA-N 0 1 264.756 2.557 20 30 CFEDMN N#Cc1cc(Cl)cc(CN2CC[C@H]3OCC[C@@H]3C2)c1 ZINC001237753968 779175192 /nfs/dbraw/zinc/17/51/92/779175192.db2.gz QVWNFMIXOLHJEV-UKRRQHHQSA-N 0 1 276.767 2.822 20 30 CFEDMN N#C[C@H]1CCN(Cc2cc(F)cc(Cl)c2O)C1 ZINC001237798672 779180031 /nfs/dbraw/zinc/18/00/31/779180031.db2.gz KUYQWLILISABDK-MRVPVSSYSA-N 0 1 254.692 2.530 20 30 CFEDMN C[C@@H](Cc1cccc(F)c1)NCc1ncc(C#N)s1 ZINC001168464409 779209623 /nfs/dbraw/zinc/20/96/23/779209623.db2.gz FYMNATIYDYFPIB-JTQLQIEISA-N 0 1 275.352 2.875 20 30 CFEDMN N#C[C@@H]1CCN(Cc2n[nH]c3cc(Cl)ccc32)C1 ZINC001238001158 779227541 /nfs/dbraw/zinc/22/75/41/779227541.db2.gz SHZMHCFQPRKWMV-VIFPVBQESA-N 0 1 260.728 2.562 20 30 CFEDMN N#Cc1ccc(CN2CC[C@@H](O)[C@@H](F)CC2)c(Cl)c1 ZINC001238080360 779247787 /nfs/dbraw/zinc/24/77/87/779247787.db2.gz OQOLSADEFRXYSR-UONOGXRCSA-N 0 1 282.746 2.506 20 30 CFEDMN C[C@H]1CCN(Cc2ccc(Cl)c(C#N)c2)CC[C@@H]1O ZINC001238189682 779275454 /nfs/dbraw/zinc/27/54/54/779275454.db2.gz VRDHIEDXYJURGP-NHYWBVRUSA-N 0 1 278.783 2.804 20 30 CFEDMN C[C@H]1CN(Cc2ccc(Cl)c(C#N)c2)CCC[C@H]1O ZINC001238189784 779275414 /nfs/dbraw/zinc/27/54/14/779275414.db2.gz WMJQZRUZMHJWHI-XHDPSFHLSA-N 0 1 278.783 2.804 20 30 CFEDMN CC#CCN1CC[C@@](C)(NC(=O)[C@H]2CC[C@H](CC)CC2)C1 ZINC001046788560 779372809 /nfs/dbraw/zinc/37/28/09/779372809.db2.gz DVJOKZHJLHFTQI-JFIYKMOQSA-N 0 1 290.451 2.807 20 30 CFEDMN C#CCC[N@@H+]1CC[C@](C)(NC(=O)C2CC(C(C)(C)C)C2)C1 ZINC001046864905 779399543 /nfs/dbraw/zinc/39/95/43/779399543.db2.gz YGBWEPTZGABMEG-JMLCCBQJSA-N 0 1 290.451 2.663 20 30 CFEDMN N#CCc1cccc(-c2c(F)cc(F)c(O)c2F)n1 ZINC001235986418 779421028 /nfs/dbraw/zinc/42/10/28/779421028.db2.gz VUKQJJYNNPDRMH-UHFFFAOYSA-N 0 1 264.206 2.938 20 30 CFEDMN CCCCCCCCCOC(=O)N1CCNCC1 ZINC001239327039 779516922 /nfs/dbraw/zinc/51/69/22/779516922.db2.gz MOZCKIFLRTWQJK-UHFFFAOYSA-N 0 1 256.390 2.779 20 30 CFEDMN C=C(C)c1cccc(C(C)(C)NC(=O)N2CCN[C@@H]3C[C@@H]32)c1 ZINC001239281176 779500445 /nfs/dbraw/zinc/50/04/45/779500445.db2.gz PDGCSVLTZXFMBI-CVEARBPZSA-N 0 1 299.418 2.711 20 30 CFEDMN CCCCCCCCOC(=O)N1CCNCC12CC2 ZINC001239329712 779518557 /nfs/dbraw/zinc/51/85/57/779518557.db2.gz FHFBRMVTDLTBGU-UHFFFAOYSA-N 0 1 268.401 2.921 20 30 CFEDMN CCCCCCCCOC(=O)N1CCN[C@@H]2C[C@@H]21 ZINC001239330969 779519834 /nfs/dbraw/zinc/51/98/34/779519834.db2.gz AUVAVXKEWKHIPG-OLZOCXBDSA-N 0 1 254.374 2.530 20 30 CFEDMN C=C(C)CN1CC(CNC(=O)c2cccc3c2CCCC3)C1 ZINC001031693467 779530092 /nfs/dbraw/zinc/53/00/92/779530092.db2.gz JXOMXEMUEHCUFF-UHFFFAOYSA-N 0 1 298.430 2.803 20 30 CFEDMN C=CCN1CC(CNC(=O)c2c(C)oc3ccccc32)C1 ZINC001031693555 779530822 /nfs/dbraw/zinc/53/08/22/779530822.db2.gz MPPPRJFSQKMWOE-UHFFFAOYSA-N 0 1 284.359 2.589 20 30 CFEDMN CC#CCN1CC(C)(C)CC[C@@H]1CNC(=O)C1CCCC1 ZINC001089601848 779537980 /nfs/dbraw/zinc/53/79/80/779537980.db2.gz QBYAUIBTECFRLU-MRXNPFEDSA-N 0 1 290.451 2.807 20 30 CFEDMN C=C(C)CN1CC(CNC(=O)c2ccc(CCC)s2)C1 ZINC001031701528 779538419 /nfs/dbraw/zinc/53/84/19/779538419.db2.gz MQUZFRNLEOYBNX-UHFFFAOYSA-N 0 1 292.448 2.938 20 30 CFEDMN C#CCN1CC(C)(C)CC[C@@H]1CNC(=O)c1ccccc1C ZINC001089603336 779540351 /nfs/dbraw/zinc/54/03/51/779540351.db2.gz ONVOAVDPAIDCOV-MRXNPFEDSA-N 0 1 298.430 2.849 20 30 CFEDMN CCCCCCCCNC(=S)N1CCNC[C@H]1CC ZINC001239436746 779564146 /nfs/dbraw/zinc/56/41/46/779564146.db2.gz KVGUWLUWYRWJEI-CQSZACIVSA-N 0 1 285.501 2.905 20 30 CFEDMN N#Cc1nc(-c2c(F)cccc2F)cc2nc[nH]c21 ZINC001239571743 779634858 /nfs/dbraw/zinc/63/48/58/779634858.db2.gz HAQQQEVONPYHSR-UHFFFAOYSA-N 0 1 256.215 2.775 20 30 CFEDMN C=C(C)CN1CC(CNC(=O)c2c(C)cccc2Cl)C1 ZINC001031950545 779681055 /nfs/dbraw/zinc/68/10/55/779681055.db2.gz MZXYNRHHHPFESL-UHFFFAOYSA-N 0 1 292.810 2.886 20 30 CFEDMN C=CCCC(=O)NCCN[C@@H]1CCc2c1c(F)ccc2F ZINC001124635880 779698967 /nfs/dbraw/zinc/69/89/67/779698967.db2.gz BUOMOZWMRUIURC-CQSZACIVSA-N 0 1 294.345 2.624 20 30 CFEDMN C=CCN1CC(CNC(=O)c2ccc(F)c3ccccc23)C1 ZINC001031997115 779700618 /nfs/dbraw/zinc/70/06/18/779700618.db2.gz DLRQTVADMDMDPN-UHFFFAOYSA-N 0 1 298.361 2.827 20 30 CFEDMN C=CCN1CC(CNC(=O)c2ccc3sccc3c2)C1 ZINC001032094826 779734800 /nfs/dbraw/zinc/73/48/00/779734800.db2.gz PGVSAKCVPZXXRW-UHFFFAOYSA-N 0 1 286.400 2.749 20 30 CFEDMN C[C@H]1CCN(Cc2ccc(C#N)cc2Cl)CC[C@@H]1O ZINC001238080609 779740028 /nfs/dbraw/zinc/74/00/28/779740028.db2.gz SSIMNUAMEYDOAF-NHYWBVRUSA-N 0 1 278.783 2.804 20 30 CFEDMN C=CCN1CC(CNC(=O)c2cccc(C(F)(F)F)c2)C1 ZINC001032145834 779746888 /nfs/dbraw/zinc/74/68/88/779746888.db2.gz PUVFGXIMLBTKJU-UHFFFAOYSA-N 0 1 298.308 2.553 20 30 CFEDMN C=C(C)CN1CC(CNC(=O)c2cc(CC)c(C)s2)C1 ZINC001032174848 779750766 /nfs/dbraw/zinc/75/07/66/779750766.db2.gz KZOLINFDTSWEKI-UHFFFAOYSA-N 0 1 292.448 2.857 20 30 CFEDMN C=C(C)CN1CC(CNC(=O)c2cc(C)c(CC)s2)C1 ZINC001032173579 779753296 /nfs/dbraw/zinc/75/32/96/779753296.db2.gz JOTCUFUEYXDEPV-UHFFFAOYSA-N 0 1 292.448 2.857 20 30 CFEDMN C[C@H]1CCCN(Cc2ccc(Cl)c(C#N)c2)[C@H]1CO ZINC001238189366 779761595 /nfs/dbraw/zinc/76/15/95/779761595.db2.gz PRRPAGPJTYXFHO-NHYWBVRUSA-N 0 1 278.783 2.804 20 30 CFEDMN Cc1ccc(-c2cc3[nH]cnc3c(C#N)n2)cc1F ZINC001239819023 779798372 /nfs/dbraw/zinc/79/83/72/779798372.db2.gz ZOPUGCODBHCRBE-UHFFFAOYSA-N 0 1 252.252 2.944 20 30 CFEDMN N#Cc1ncc(-c2cc(N3CCCC3)ccn2)cc1F ZINC001238988269 779872314 /nfs/dbraw/zinc/87/23/14/779872314.db2.gz GSVHIVASUWONMW-UHFFFAOYSA-N 0 1 268.295 2.755 20 30 CFEDMN C=CCCCN1CCO[C@@](C)(CNC(=O)CCC(C)C)C1 ZINC001107725070 779889259 /nfs/dbraw/zinc/88/92/59/779889259.db2.gz YONPWLRIKUIYLG-KRWDZBQOSA-N 0 1 296.455 2.596 20 30 CFEDMN C=CCCCN1CCO[C@](C)(CNC(=O)CC(C)(C)C)C1 ZINC001107743638 779892418 /nfs/dbraw/zinc/89/24/18/779892418.db2.gz VCSFJYLYTCZNFE-QGZVFWFLSA-N 0 1 296.455 2.596 20 30 CFEDMN C=C(C)CCN1CCO[C@](C)(CNC(=O)/C(C)=C\CC)C1 ZINC001107784383 779897909 /nfs/dbraw/zinc/89/79/09/779897909.db2.gz WTSDAVCNQNYGMZ-IJZIWBRISA-N 0 1 294.439 2.516 20 30 CFEDMN C=C(C)CCN1CCO[C@@](C)(CNC(=O)/C(C)=C/CC)C1 ZINC001107784385 779898123 /nfs/dbraw/zinc/89/81/23/779898123.db2.gz WTSDAVCNQNYGMZ-QRMGNNRRSA-N 0 1 294.439 2.516 20 30 CFEDMN C=C(C)CCN1CCO[C@](C)(CNC(=O)C[C@H](C)CC)C1 ZINC001107901477 779933928 /nfs/dbraw/zinc/93/39/28/779933928.db2.gz QRPDMPVNWREKGZ-NVXWUHKLSA-N 0 1 296.455 2.596 20 30 CFEDMN C=CCCN1C[C@@H]2C[C@H]1CN2C(=O)c1cccc(C)c1F ZINC001032415741 779945549 /nfs/dbraw/zinc/94/55/49/779945549.db2.gz JCEISKFNZGSKEG-KBPBESRZSA-N 0 1 288.366 2.609 20 30 CFEDMN C=CCN1C[C@@]2(CC1=O)CCCCN2Cc1cc(C)ccn1 ZINC001272781325 779997074 /nfs/dbraw/zinc/99/70/74/779997074.db2.gz BTYDJMSNNDXFPR-SFHVURJKSA-N 0 1 299.418 2.533 20 30 CFEDMN C=CCC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1ccc(CC)s1 ZINC001032504102 779997141 /nfs/dbraw/zinc/99/71/41/779997141.db2.gz IUOURXNKADWXCZ-STQMWFEESA-N 0 1 290.432 2.785 20 30 CFEDMN C=CCCN1C[C@@H]2C[C@H]1CN2C(=O)c1ccc(CC)s1 ZINC001032504102 779997150 /nfs/dbraw/zinc/99/71/50/779997150.db2.gz IUOURXNKADWXCZ-STQMWFEESA-N 0 1 290.432 2.785 20 30 CFEDMN C=C(C)C[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@@H]1CC[C@@H]2C[C@@H]2CC1 ZINC001032534142 780017456 /nfs/dbraw/zinc/01/74/56/780017456.db2.gz PAAGRDNGWSOGBE-KSWRQPAISA-N 0 1 288.435 2.674 20 30 CFEDMN C=C(C)CN1C[C@@H]2C[C@H]1CN2C(=O)[C@@H]1CC[C@@H]2C[C@@H]2CC1 ZINC001032534142 780017462 /nfs/dbraw/zinc/01/74/62/780017462.db2.gz PAAGRDNGWSOGBE-KSWRQPAISA-N 0 1 288.435 2.674 20 30 CFEDMN C=CCC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@H]1CCC(C)(C)C1 ZINC001032612931 780072513 /nfs/dbraw/zinc/07/25/13/780072513.db2.gz HIQJHWOQROKYRR-KKUMJFAQSA-N 0 1 276.424 2.674 20 30 CFEDMN C=C(C)CN1C[C@@H]2C[C@H]1CN2C(=O)[C@H]1CCC(C)(C)C1 ZINC001032613147 780073734 /nfs/dbraw/zinc/07/37/34/780073734.db2.gz MWIVRDPVKAHWGT-KKUMJFAQSA-N 0 1 276.424 2.674 20 30 CFEDMN [O-]/N=C/c1cc(C2=CC[NH2+]CC2)cc(C(F)(F)F)c1 ZINC001240468911 780186159 /nfs/dbraw/zinc/18/61/59/780186159.db2.gz MYVGYQJGBMNFOQ-QGMBQPNBSA-N 0 1 270.254 2.890 20 30 CFEDMN Cc1c(F)cccc1-c1cc2[nH]cnc2c(C#N)n1 ZINC001240727390 780395662 /nfs/dbraw/zinc/39/56/62/780395662.db2.gz OMCGNXTXDYIDKA-UHFFFAOYSA-N 0 1 252.252 2.944 20 30 CFEDMN C=CCN1CC[C@@]2(CCCN2Cc2ccc(CC)o2)C1=O ZINC001272997858 780468750 /nfs/dbraw/zinc/46/87/50/780468750.db2.gz BFIAAWUONGJMAO-KRWDZBQOSA-N 0 1 288.391 2.595 20 30 CFEDMN Cc1cc(C#N)cc(-c2ccc(N3CCN(C)CC3)cc2)n1 ZINC001240851427 780476030 /nfs/dbraw/zinc/47/60/30/780476030.db2.gz FLQPUDGSIFFOJT-UHFFFAOYSA-N 0 1 292.386 2.681 20 30 CFEDMN C=CCCCC(=O)Nc1ccc(-c2nnc[nH]2)cc1F ZINC001128482638 780491186 /nfs/dbraw/zinc/49/11/86/780491186.db2.gz JFDWQEOZENVDBF-UHFFFAOYSA-N 0 1 274.299 2.906 20 30 CFEDMN C=C(C)CN1CC[C@@H](N(C)C(=O)c2cc(C)oc2C)C1 ZINC001032904616 780507635 /nfs/dbraw/zinc/50/76/35/780507635.db2.gz XXOVJMACTDBYQO-CQSZACIVSA-N 0 1 276.380 2.619 20 30 CFEDMN Cc1c[nH]c2ncc(-c3cc4[nH]cnc4c(C#N)n3)cc12 ZINC001240946051 780539492 /nfs/dbraw/zinc/53/94/92/780539492.db2.gz PTIMCAMHZIRDRY-UHFFFAOYSA-N 0 1 274.287 2.681 20 30 CFEDMN N#Cc1nc(-c2ccc3occc(=O)c3c2)cc2[nH]cnc21 ZINC001240965614 780555600 /nfs/dbraw/zinc/55/56/00/780555600.db2.gz HUUGYZVVPUTVPF-UHFFFAOYSA-N 0 1 288.266 2.603 20 30 CFEDMN C#CCN1CC[C@H](N(C)C(=O)c2ccc(CCCC)cc2)C1 ZINC001033252180 780632992 /nfs/dbraw/zinc/63/29/92/780632992.db2.gz CUBKCZBVFSTYCC-SFHVURJKSA-N 0 1 298.430 2.809 20 30 CFEDMN C=C(C)CN1CC[C@H](N(C)C(=O)c2cc3ncccc3o2)C1 ZINC001033271098 780636975 /nfs/dbraw/zinc/63/69/75/780636975.db2.gz CZPJKFMSBGCFHC-ZDUSSCGKSA-N 0 1 299.374 2.550 20 30 CFEDMN C=CCN1CC[C@@H](N(C)C(=O)c2occc2C(C)C)C1 ZINC001033366373 780666089 /nfs/dbraw/zinc/66/60/89/780666089.db2.gz WJBJUJDRVPYXRC-CYBMUJFWSA-N 0 1 276.380 2.735 20 30 CFEDMN C=CCN1CC[C@@H](N(C)C(=O)c2ccc3ncccc3c2)C1 ZINC001033379510 780667626 /nfs/dbraw/zinc/66/76/26/780667626.db2.gz VSIRYTVCYHGLFO-MRXNPFEDSA-N 0 1 295.386 2.567 20 30 CFEDMN C=CC[N@@H+]1CC[C@@H](N(C)C(=O)c2cccc3cc[nH]c32)C1 ZINC001033441391 780681342 /nfs/dbraw/zinc/68/13/42/780681342.db2.gz YYXXTVKJOQPQMC-CQSZACIVSA-N 0 1 283.375 2.500 20 30 CFEDMN C=CCN1CC[C@@H](N(C)C(=O)c2cccc3cc[nH]c32)C1 ZINC001033441391 780681345 /nfs/dbraw/zinc/68/13/45/780681345.db2.gz YYXXTVKJOQPQMC-CQSZACIVSA-N 0 1 283.375 2.500 20 30 CFEDMN C=CCN1CC[C@@H](N(C)C(=O)c2ccc(Cl)c(F)c2)C1 ZINC001033449629 780684734 /nfs/dbraw/zinc/68/47/34/780684734.db2.gz NWBUBWZPFDIHJR-GFCCVEGCSA-N 0 1 296.773 2.811 20 30 CFEDMN C=C(C)C[N@@H+]1CC[C@H](N(C)C(=O)c2ccc3cc[nH]c3c2)C1 ZINC001033456545 780687444 /nfs/dbraw/zinc/68/74/44/780687444.db2.gz XGPJEAUMAQUREF-INIZCTEOSA-N 0 1 297.402 2.890 20 30 CFEDMN C=C(C)CN1CC[C@@H](N(C)C(=O)[C@@H](F)c2ccccc2)C1 ZINC001033462194 780688859 /nfs/dbraw/zinc/68/88/59/780688859.db2.gz SBHCAVPDBZKNMC-CVEARBPZSA-N 0 1 290.382 2.806 20 30 CFEDMN C=C(C)CN1CC[C@@H](N(C)C(=O)c2cc(C(C)C)no2)C1 ZINC001033476259 780689896 /nfs/dbraw/zinc/68/98/96/780689896.db2.gz XVLXSHHLOCMQSD-CYBMUJFWSA-N 0 1 291.395 2.520 20 30 CFEDMN C=CC[N@@H+]1CC[C@@H](N(C)C(=O)C[C@H]2CCc3ccccc32)C1 ZINC001033519834 780702479 /nfs/dbraw/zinc/70/24/79/780702479.db2.gz WYSFIVIGYDMYID-IAGOWNOFSA-N 0 1 298.430 2.825 20 30 CFEDMN C=C(C)CN1CC[C@H](N(C)C(=O)C2(F)CCCCC2)C1 ZINC001033554157 780713161 /nfs/dbraw/zinc/71/31/61/780713161.db2.gz AXRSIRUXCRNVST-AWEZNQCLSA-N 0 1 282.403 2.768 20 30 CFEDMN C#CCN1CC[C@@H](N(C)C(=O)C[C@@H]2CCCC(C)(C)C2)C1 ZINC001033594249 780721253 /nfs/dbraw/zinc/72/12/53/780721253.db2.gz LWDUUPFZAIORDG-JKSUJKDBSA-N 0 1 290.451 2.759 20 30 CFEDMN C=CCN1CC[C@H](N(C)C(=O)[C@@H](C)c2ccccc2)C1 ZINC001033592497 780721532 /nfs/dbraw/zinc/72/15/32/780721532.db2.gz HTSZAZZTYAIMGX-HOCLYGCPSA-N 0 1 272.392 2.509 20 30 CFEDMN C=CCN1CC[C@@H](N(C)C(=O)[C@H]2CC[C@H](C)CC2)C1 ZINC001033605907 780728596 /nfs/dbraw/zinc/72/85/96/780728596.db2.gz ZAKOKBQFCICGHW-RBSFLKMASA-N 0 1 264.413 2.531 20 30 CFEDMN CC#CCN1CC[C@@H](N(C)C(=O)c2ccc(C(C)C)cc2)C1 ZINC001033615136 780730834 /nfs/dbraw/zinc/73/08/34/780730834.db2.gz XADCSTPZPQCTCU-GOSISDBHSA-N 0 1 298.430 2.980 20 30 CFEDMN C=CCN1CC[C@H](N(C)C(=O)c2cc3ccccc3[nH]2)C1 ZINC001033641756 780740746 /nfs/dbraw/zinc/74/07/46/780740746.db2.gz CILOESYCTLPBBV-AWEZNQCLSA-N 0 1 283.375 2.500 20 30 CFEDMN CC#CCN1CC[C@H](N(C)C(=O)C23CCC(CC2)CC3)C1 ZINC001033675943 780746652 /nfs/dbraw/zinc/74/66/52/780746652.db2.gz OFIBGEHGIOLTGL-PQUAAJSLSA-N 0 1 288.435 2.513 20 30 CFEDMN CC#CCN1CC[C@@H](N(C)C(=O)c2coc3ccccc23)C1 ZINC001033708438 780755859 /nfs/dbraw/zinc/75/58/59/780755859.db2.gz ALJBBJIGGJXZCL-CQSZACIVSA-N 0 1 296.370 2.602 20 30 CFEDMN COC(=O)c1ccc(-c2c(F)ccc(O)c2F)cc1C#N ZINC001241291363 780761672 /nfs/dbraw/zinc/76/16/72/780761672.db2.gz NNRTZERPJKDFJE-UHFFFAOYSA-N 0 1 289.237 2.996 20 30 CFEDMN CN1CC=C(c2nc(C(C)(C)C)ccc2C#N)CC1 ZINC001241317383 780776791 /nfs/dbraw/zinc/77/67/91/780776791.db2.gz MUZLQQUUSWCUEZ-UHFFFAOYSA-N 0 1 255.365 2.970 20 30 CFEDMN C=CCN1CC[C@H](N(CC)C(=O)c2ccoc2CC)C1 ZINC001033808965 780794561 /nfs/dbraw/zinc/79/45/61/780794561.db2.gz GXSHLPCSFGRIFC-ZDUSSCGKSA-N 0 1 276.380 2.564 20 30 CFEDMN C=CCN1CC[C@@H](N(CC)C(=O)c2ccoc2Cl)C1 ZINC001033810331 780794919 /nfs/dbraw/zinc/79/49/19/780794919.db2.gz SGLZTNQRXSRFBN-LLVKDONJSA-N 0 1 282.771 2.655 20 30 CFEDMN C=CCN1CC[C@@H](N(CC)C(=O)c2cc(F)ccc2F)C1 ZINC001033859246 780808891 /nfs/dbraw/zinc/80/88/91/780808891.db2.gz STYATJAZIVXLHP-CYBMUJFWSA-N 0 1 294.345 2.687 20 30 CFEDMN C=C(C)CN1CC[C@H](N(CC)C(=O)c2cocc2C)C1 ZINC001033927881 780827139 /nfs/dbraw/zinc/82/71/39/780827139.db2.gz USHDKMKEGKCNCS-AWEZNQCLSA-N 0 1 276.380 2.701 20 30 CFEDMN C=CCN1CC[C@@H](N(CC)C(=O)[C@@H]2CCC(C)(C)C2)C1 ZINC001033945023 780837965 /nfs/dbraw/zinc/83/79/65/780837965.db2.gz WFYGLZGRFNBFDO-HUUCEWRRSA-N 0 1 278.440 2.922 20 30 CFEDMN C=CCN1CC[C@@H](N(CC)C(=O)[C@@H]2C[C@H]2C2CCC2)C1 ZINC001033983961 780849102 /nfs/dbraw/zinc/84/91/02/780849102.db2.gz GUHOCQBLDQMABT-OWCLPIDISA-N 0 1 276.424 2.531 20 30 CFEDMN CC#CCN1CC[C@@H](N(CC)C(=O)c2cccc(C)c2C)C1 ZINC001034030188 780858526 /nfs/dbraw/zinc/85/85/26/780858526.db2.gz XIJCCQKBYIAIBC-QGZVFWFLSA-N 0 1 298.430 2.863 20 30 CFEDMN C=CCN1CCCC[C@@H](NC(=O)c2ccc(C)s2)C1 ZINC001034082575 780882145 /nfs/dbraw/zinc/88/21/45/780882145.db2.gz KKNBYRCYIHHUNP-CYBMUJFWSA-N 0 1 278.421 2.827 20 30 CFEDMN CC#CCN1CCCC[C@@H](NC(=O)C2CCCCC2)C1 ZINC001034085281 780883131 /nfs/dbraw/zinc/88/31/31/780883131.db2.gz HLGADJCURSDRCI-MRXNPFEDSA-N 0 1 276.424 2.561 20 30 CFEDMN C=C(C)CN1CCCC[C@H](NC(=O)c2cccs2)C1 ZINC001034084237 780887754 /nfs/dbraw/zinc/88/77/54/780887754.db2.gz IOPOHTUMLFDUAW-ZDUSSCGKSA-N 0 1 278.421 2.909 20 30 CFEDMN CC#CCN1CCCC[C@H](NC(=O)CC2CCCC2)C1 ZINC001034093962 780889392 /nfs/dbraw/zinc/88/93/92/780889392.db2.gz YBEYCJRPCADYDF-INIZCTEOSA-N 0 1 276.424 2.561 20 30 CFEDMN CC#CCN1CCCC[C@@H](NC(=O)c2cscc2C)C1 ZINC001034166110 780914293 /nfs/dbraw/zinc/91/42/93/780914293.db2.gz ZTOJUKCEMAMFHD-CQSZACIVSA-N 0 1 290.432 2.664 20 30 CFEDMN C#CCN1CCCC[C@@H](NC(=O)c2csc(C)c2C)C1 ZINC001034225212 780928967 /nfs/dbraw/zinc/92/89/67/780928967.db2.gz HKZXGFPCMBPNAD-CQSZACIVSA-N 0 1 290.432 2.582 20 30 CFEDMN CC#CCN1CCCC[C@@H](NC(=O)C[C@@H]2C=CCCC2)C1 ZINC001034266473 780935527 /nfs/dbraw/zinc/93/55/27/780935527.db2.gz OKFNQKQDJDARHP-IAGOWNOFSA-N 0 1 288.435 2.727 20 30 CFEDMN C=CCN1CCCC[C@@H](NC(=O)c2cc3cnccc3o2)C1 ZINC001034298809 780940420 /nfs/dbraw/zinc/94/04/20/780940420.db2.gz ZXQSJFXVUOHONU-CQSZACIVSA-N 0 1 299.374 2.598 20 30 CFEDMN Cc1ncc(C#N)c(C2=CCN(Cc3ccccc3)CC2)n1 ZINC001241501660 780945244 /nfs/dbraw/zinc/94/52/44/780945244.db2.gz RFWDPLZRSKASLZ-UHFFFAOYSA-N 0 1 290.370 2.946 20 30 CFEDMN C=CC[N@H+]1CCCC[C@H](NC(=O)C2CCC(=C)CC2)C1 ZINC001034378495 780961456 /nfs/dbraw/zinc/96/14/56/780961456.db2.gz TXDLKIJJGVYZLM-INIZCTEOSA-N 0 1 276.424 2.890 20 30 CFEDMN CC#CCN1CCCC[C@@H](NC(=O)c2c(C)cccc2C)C1 ZINC001034410588 780969606 /nfs/dbraw/zinc/96/96/06/780969606.db2.gz DUGFDURZGKBJAO-QGZVFWFLSA-N 0 1 298.430 2.911 20 30 CFEDMN C=CCN1CCCC[C@@H](NC(=O)c2ccncc2Cl)C1 ZINC001034411475 780969992 /nfs/dbraw/zinc/96/99/92/780969992.db2.gz QZAYKZCOMLTDOM-GFCCVEGCSA-N 0 1 293.798 2.505 20 30 CFEDMN C=CCN1CCCC[C@H](NC(=O)c2cnoc2C(C)C)C1 ZINC001034470187 780982057 /nfs/dbraw/zinc/98/20/57/780982057.db2.gz PTZDTTKEZAQDQW-ZDUSSCGKSA-N 0 1 291.395 2.568 20 30 CFEDMN C#CCN1CCCC[C@H](NC(=O)[C@@H](C)c2ccc(C)cc2)C1 ZINC001034501188 780986965 /nfs/dbraw/zinc/98/69/65/780986965.db2.gz KZTUAVVMCHAXGT-WMZOPIPTSA-N 0 1 298.430 2.702 20 30 CFEDMN C=CCN1CCCC[C@H](NC(=O)c2ccc(C(F)F)o2)C1 ZINC001034510440 780988319 /nfs/dbraw/zinc/98/83/19/780988319.db2.gz WPWSQGQCSZNQPF-NSHDSACASA-N 0 1 298.333 2.988 20 30 CFEDMN CC#CCN1CCCC[C@@H](NC(=O)Cc2ccccc2C)C1 ZINC001034521113 780994499 /nfs/dbraw/zinc/99/44/99/780994499.db2.gz ZVANPIPSQOIZIO-GOSISDBHSA-N 0 1 298.430 2.532 20 30 CFEDMN C#CCN1CCCC[C@@H](NC(=O)[C@@H]2CCCCC2(C)C)C1 ZINC001034544024 780996469 /nfs/dbraw/zinc/99/64/69/780996469.db2.gz LLWGUCYNDORTFS-CVEARBPZSA-N 0 1 290.451 2.807 20 30 CFEDMN C#CCN1CCCC[C@@H](NC(=O)C2CC(C(C)(C)C)C2)C1 ZINC001034543875 780997315 /nfs/dbraw/zinc/99/73/15/780997315.db2.gz BPWXTKKDOOPEKJ-UYSNPLJNSA-N 0 1 290.451 2.663 20 30 CFEDMN CSc1ccc(-c2cc3[nH]cnc3c(C#N)n2)cn1 ZINC001241631435 781032544 /nfs/dbraw/zinc/03/25/44/781032544.db2.gz SOQQLGVCDTWVJG-UHFFFAOYSA-N 0 1 267.317 2.613 20 30 CFEDMN N#Cc1cc(F)cc(-c2cc3[nH]cnc3c(C#N)n2)c1 ZINC001241656095 781050659 /nfs/dbraw/zinc/05/06/59/781050659.db2.gz UEZGRCLAZAUFLR-UHFFFAOYSA-N 0 1 263.235 2.507 20 30 CFEDMN CC#CCN1CC2(C1)CCN(C(=O)CCC1CCC1)CC2 ZINC001035682733 781156578 /nfs/dbraw/zinc/15/65/78/781156578.db2.gz YCOSOFYQMLGRTM-UHFFFAOYSA-N 0 1 288.435 2.514 20 30 CFEDMN C=CCN1CC2(C1)CCN(C(=O)c1ccc(CC)o1)CC2 ZINC001035736121 781163317 /nfs/dbraw/zinc/16/33/17/781163317.db2.gz UQZKKECPQCXCBO-UHFFFAOYSA-N 0 1 288.391 2.566 20 30 CFEDMN C=CCN1CC2(C1)CCN(C(=O)[C@](C)(C=C)CC)CC2 ZINC001035783060 781167216 /nfs/dbraw/zinc/16/72/16/781167216.db2.gz ZSCZPCPKVCPPHK-MRXNPFEDSA-N 0 1 276.424 2.699 20 30 CFEDMN C=CCN1CC2(C1)CCN(C(=O)[C@@H]1CCCC[C@@H]1C)CC2 ZINC001035781264 781168145 /nfs/dbraw/zinc/16/81/45/781168145.db2.gz ORBNBJBFKMRARJ-JKSUJKDBSA-N 0 1 290.451 2.923 20 30 CFEDMN C=CCN1CC2(C1)CCN(C(=O)C(C)(C)C1CC1)CC2 ZINC001035773573 781170954 /nfs/dbraw/zinc/17/09/54/781170954.db2.gz YBLGQGNEDCETPY-UHFFFAOYSA-N 0 1 276.424 2.533 20 30 CFEDMN N#Cc1cc2c(nc1-c1ccc3nn[nH]c3c1)CCCC2 ZINC001241941228 781194389 /nfs/dbraw/zinc/19/43/89/781194389.db2.gz ZYCJGVPGYKWENL-UHFFFAOYSA-N 0 1 275.315 2.770 20 30 CFEDMN N#CCc1ccc(F)cc1-c1ccc2[nH]nnc2c1 ZINC001241942037 781197767 /nfs/dbraw/zinc/19/77/67/781197767.db2.gz MPRVWAFMZRJRRA-UHFFFAOYSA-N 0 1 252.252 2.830 20 30 CFEDMN N#CCc1ccc(F)cc1-c1ccc2nn[nH]c2c1 ZINC001241942037 781197769 /nfs/dbraw/zinc/19/77/69/781197769.db2.gz MPRVWAFMZRJRRA-UHFFFAOYSA-N 0 1 252.252 2.830 20 30 CFEDMN C#C[C@@H]([NH2+]Cc1c([O-])cccc1Br)C(C)C ZINC000706843260 781208726 /nfs/dbraw/zinc/20/87/26/781208726.db2.gz PNWAIVIUPLVEFL-GFCCVEGCSA-N 0 1 282.181 2.902 20 30 CFEDMN C=CCCSCCNCc1nc(Br)c[nH]1 ZINC000710199719 781330506 /nfs/dbraw/zinc/33/05/06/781330506.db2.gz KNIBBPMHMJNKPU-UHFFFAOYSA-N 0 1 290.230 2.571 20 30 CFEDMN Cc1cc2[nH]ncc2cc1-c1cnc(F)c(C#N)c1 ZINC001242283032 781366401 /nfs/dbraw/zinc/36/64/01/781366401.db2.gz MFTQSVHWUNONGM-UHFFFAOYSA-N 0 1 252.252 2.944 20 30 CFEDMN C#Cc1ccc(-c2ccc3nc(C(=O)OC)[nH]c3c2)cc1 ZINC001242295826 781375612 /nfs/dbraw/zinc/37/56/12/781375612.db2.gz UNSVFBAEGYCXIC-UHFFFAOYSA-N 0 1 276.295 2.998 20 30 CFEDMN C=C(Cl)CN1CC[C@@H]2CN(C(=O)/C=C\C3CC3)CC[C@@H]21 ZINC001036676200 781399871 /nfs/dbraw/zinc/39/98/71/781399871.db2.gz ISFHHUBEVXIXHT-NWRQEBOHSA-N 0 1 294.826 2.628 20 30 CFEDMN N#Cc1c[nH]c2ccnc(-c3cc(F)ccc3CO)c12 ZINC001242339930 781411849 /nfs/dbraw/zinc/41/18/49/781411849.db2.gz MRCICPXWDUKLDA-UHFFFAOYSA-N 0 1 267.263 2.733 20 30 CFEDMN COc1ccc(C#N)cc1CN1CCC[C@@H](CF)C1 ZINC000711421294 781430738 /nfs/dbraw/zinc/43/07/38/781430738.db2.gz PAKBRYMKBSDVCX-ZDUSSCGKSA-N 0 1 262.328 2.748 20 30 CFEDMN C#C[C@H](NCc1cc(C(=O)OC)cs1)C(C)(C)C ZINC000711422904 781430765 /nfs/dbraw/zinc/43/07/65/781430765.db2.gz PQVGXHIEUQFIKE-LBPRGKRZSA-N 0 1 265.378 2.672 20 30 CFEDMN COc1cccc(-c2ccc(O)c(C#N)c2)c1C#N ZINC001242565250 781604928 /nfs/dbraw/zinc/60/49/28/781604928.db2.gz STBKYJDCQVKGQD-UHFFFAOYSA-N 0 1 250.257 2.811 20 30 CFEDMN CN1CCN(c2cccc(-c3ccc(F)cc3C#N)n2)CC1 ZINC001242581327 781614319 /nfs/dbraw/zinc/61/43/19/781614319.db2.gz PSQMCZUPLQHKRJ-UHFFFAOYSA-N 0 1 296.349 2.511 20 30 CFEDMN CN(C)Cc1ccc(-c2ccc(F)cc2C#N)nc1 ZINC001242580740 781614804 /nfs/dbraw/zinc/61/48/04/781614804.db2.gz MHTJEVRISWMRSG-UHFFFAOYSA-N 0 1 255.296 2.821 20 30 CFEDMN C=CCN1C[C@@H](C)[C@H](NC(=O)c2ccc(C)c(Cl)c2)C1 ZINC001080378716 781653183 /nfs/dbraw/zinc/65/31/83/781653183.db2.gz USGXUPWFTGWKEH-IUODEOHRSA-N 0 1 292.810 2.885 20 30 CFEDMN C=C1CCC(C(=O)N[C@@H]2CN(C[C@@H](F)CC)C[C@H]2C)CC1 ZINC001080391548 781655069 /nfs/dbraw/zinc/65/50/69/781655069.db2.gz NWMRNQPVUQGOJU-VNQPRFMTSA-N 0 1 296.430 2.917 20 30 CFEDMN C=CCN1C[C@@H](C)[C@H](NC(=O)[C@@]2(C)C[C@@H]2c2ccccc2)C1 ZINC001080594394 781670244 /nfs/dbraw/zinc/67/02/44/781670244.db2.gz QHKNGLJPYDXPRW-MYZZLAAOSA-N 0 1 298.430 2.803 20 30 CFEDMN C#CCN1C[C@@H](C)[C@H](NC(=O)C[C@H]2CCCCC2(C)C)C1 ZINC001081056212 781699456 /nfs/dbraw/zinc/69/94/56/781699456.db2.gz RALJKOWMYSOQDH-BZUAXINKSA-N 0 1 290.451 2.663 20 30 CFEDMN C=CC[C@@H]1CCCN(C(=O)c2cnc(C3CC3)[nH]2)C1 ZINC001118726439 781705948 /nfs/dbraw/zinc/70/59/48/781705948.db2.gz UMIULQKRRMHPCC-LLVKDONJSA-N 0 1 259.353 2.715 20 30 CFEDMN C=CCN1CC[C@@H]2CN(C(=O)CC3CCCCC3)[C@@H]2C1 ZINC001084171068 781775342 /nfs/dbraw/zinc/77/53/42/781775342.db2.gz UMUUNQITTVJSIQ-HZPDHXFCSA-N 0 1 276.424 2.676 20 30 CFEDMN C=C(C)CN1CC[C@@H]2CN(C(=O)c3ccc(Cl)o3)[C@@H]2C1 ZINC001084189078 781777661 /nfs/dbraw/zinc/77/76/61/781777661.db2.gz AAVJNGMTKZBFHF-VXGBXAGGSA-N 0 1 294.782 2.655 20 30 CFEDMN C=CCN1CC[C@@H]2CN(C(=O)c3cc(C)sc3C)[C@@H]2C1 ZINC001084494560 781797224 /nfs/dbraw/zinc/79/72/24/781797224.db2.gz KXIZEHQDQMVBTN-UKRRQHHQSA-N 0 1 290.432 2.697 20 30 CFEDMN C=CCN1CC[C@@H]2CN(C(=O)C(C)(C)C(C)(C)C)[C@@H]2C1 ZINC001084578055 781802770 /nfs/dbraw/zinc/80/27/70/781802770.db2.gz HMVZPVVWBZFWQS-ZIAGYGMSSA-N 0 1 278.440 2.777 20 30 CFEDMN C=CC[N@@H+]1CC[C@@H]2CN(C(=O)c3ccc(Cl)cc3)[C@@H]2C1 ZINC001084789129 781833957 /nfs/dbraw/zinc/83/39/57/781833957.db2.gz TYJXJHLZKSLTAH-UKRRQHHQSA-N 0 1 290.794 2.672 20 30 CFEDMN C=CCN1CC[C@@H]2CN(C(=O)c3ccc(Cl)cc3)[C@@H]2C1 ZINC001084789129 781833961 /nfs/dbraw/zinc/83/39/61/781833961.db2.gz TYJXJHLZKSLTAH-UKRRQHHQSA-N 0 1 290.794 2.672 20 30 CFEDMN C=C(C)CN1CC[C@@H]1CN(C)C(=O)CCC(C)C ZINC001230731242 781870214 /nfs/dbraw/zinc/87/02/14/781870214.db2.gz TYICGYQCMCHTGO-CQSZACIVSA-N 0 1 252.402 2.531 20 30 CFEDMN CC[C@H]([NH2+]C[C@H]1CCN(C2CC2)C1)c1cccc(C#N)c1[O-] ZINC000822658689 781906346 /nfs/dbraw/zinc/90/63/46/781906346.db2.gz QGOSUIWHDLKOIV-DYVFJYSZSA-N 0 1 299.418 2.789 20 30 CFEDMN Cc1ncncc1[C@H](C)NCc1ccc(CC#N)cc1 ZINC000594506948 349433984 /nfs/dbraw/zinc/43/39/84/349433984.db2.gz HUOMDEFXOKQIIV-LBPRGKRZSA-N 0 1 266.348 2.702 20 30 CFEDMN CC(C)(C#N)c1ccc(CNC[C@@H](O)C(F)(F)F)cc1 ZINC000594504398 349434036 /nfs/dbraw/zinc/43/40/36/349434036.db2.gz ODJFIWFCPMGAOR-GFCCVEGCSA-N 0 1 286.297 2.501 20 30 CFEDMN Cc1nnsc1CNCc1ccc(C(C)(C)C#N)cc1 ZINC000594521922 349441213 /nfs/dbraw/zinc/44/12/13/349441213.db2.gz XMUHQSSVPNYHBX-UHFFFAOYSA-N 0 1 286.404 2.938 20 30 CFEDMN CCC(C)(C)N1CCN(c2snc(C)c2C#N)CC1 ZINC000594590447 349453032 /nfs/dbraw/zinc/45/30/32/349453032.db2.gz AZTMWLKULGNZGW-UHFFFAOYSA-N 0 1 278.425 2.634 20 30 CFEDMN CCc1nnc(SCCc2ccc(C#N)cc2)[nH]1 ZINC000594882765 349493252 /nfs/dbraw/zinc/49/32/52/349493252.db2.gz BGHJZWZKAVUPQY-UHFFFAOYSA-N 0 1 258.350 2.574 20 30 CFEDMN CCc1n[nH]c(SCCc2ccc(C#N)cc2)n1 ZINC000594882765 349493255 /nfs/dbraw/zinc/49/32/55/349493255.db2.gz BGHJZWZKAVUPQY-UHFFFAOYSA-N 0 1 258.350 2.574 20 30 CFEDMN C#CCN1CCC(C(=O)N(C)C2CCCCCC2)CC1 ZINC000067707838 346815625 /nfs/dbraw/zinc/81/56/25/346815625.db2.gz USRWBTNLUVDUJV-UHFFFAOYSA-N 0 1 276.424 2.513 20 30 CFEDMN N#Cc1ccccc1OCCN(Cc1cccnc1)C1CC1 ZINC000124702258 187149418 /nfs/dbraw/zinc/14/94/18/187149418.db2.gz SGPQYLUVEXNTBS-UHFFFAOYSA-N 0 1 293.370 2.997 20 30 CFEDMN C=CCCSCCNCc1nccn1C(C)C ZINC000594967249 349534386 /nfs/dbraw/zinc/53/43/86/349534386.db2.gz JMCFYMWKMMGMJR-UHFFFAOYSA-N 0 1 253.415 2.863 20 30 CFEDMN C=CCC[C@H](NCN1CCC(=O)CC1)c1ccccc1 ZINC000273084200 192038189 /nfs/dbraw/zinc/03/81/89/192038189.db2.gz MXMVSRALZKKFAM-KRWDZBQOSA-N 0 1 272.392 2.906 20 30 CFEDMN COc1cccc(CNCc2ccc(C#N)o2)c1C ZINC000594998899 349543293 /nfs/dbraw/zinc/54/32/93/349543293.db2.gz LLHGWUNWIWGTCT-UHFFFAOYSA-N 0 1 256.305 2.758 20 30 CFEDMN CCn1nccc1CN[C@H](C)c1ccc(C#N)cc1 ZINC000125164173 187173253 /nfs/dbraw/zinc/17/32/53/187173253.db2.gz WLVSAKPWPPCNDE-GFCCVEGCSA-N 0 1 254.337 2.625 20 30 CFEDMN C=CCCSCCN[C@@H]1CCCn2ccnc21 ZINC000595060145 349570277 /nfs/dbraw/zinc/57/02/77/349570277.db2.gz SFKOINJGOKTZIF-GFCCVEGCSA-N 0 1 251.399 2.617 20 30 CFEDMN CC(C)(C)OCCNCc1ccc(C#N)cc1F ZINC000308510770 290012069 /nfs/dbraw/zinc/01/20/69/290012069.db2.gz FHEJJXLZRNESMX-UHFFFAOYSA-N 0 1 250.317 2.602 20 30 CFEDMN CC[C@@H]1CN(CCc2ccc(C#N)cc2)C[C@@H](C)O1 ZINC000595318219 349601630 /nfs/dbraw/zinc/60/16/30/349601630.db2.gz SLVODTBERLGRRS-CZUORRHYSA-N 0 1 258.365 2.600 20 30 CFEDMN C#CCN(C(=O)c1[nH]nc2ccccc21)C1CCCCC1 ZINC000068270110 346844091 /nfs/dbraw/zinc/84/40/91/346844091.db2.gz RMBICRDVTTYYSY-UHFFFAOYSA-N 0 1 281.359 2.971 20 30 CFEDMN CC[C@@H](C)N(C)CC(=O)Nc1ccc(C#N)c(Cl)c1 ZINC000068450041 346853523 /nfs/dbraw/zinc/85/35/23/346853523.db2.gz YHQJHIMYLRKMHS-SNVBAGLBSA-N 0 1 279.771 2.880 20 30 CFEDMN CCc1nocc1CN[C@@H](C)c1ccc(C#N)cc1 ZINC000595411370 349618736 /nfs/dbraw/zinc/61/87/36/349618736.db2.gz HVXWXDYXGKTVDO-NSHDSACASA-N 0 1 255.321 2.959 20 30 CFEDMN CC[C@H](CSC)N(C)CC(=O)Nc1ccc(C#N)cc1 ZINC000157973950 529409571 /nfs/dbraw/zinc/40/95/71/529409571.db2.gz RHXPNTFJRDWAQL-CQSZACIVSA-N 0 1 291.420 2.570 20 30 CFEDMN CC[C@@H]1CCN(Cc2nnc(-c3ccc(C#N)cc3)o2)C1 ZINC000125577294 187191648 /nfs/dbraw/zinc/19/16/48/187191648.db2.gz VDBVYPALALLOSE-GFCCVEGCSA-N 0 1 282.347 2.840 20 30 CFEDMN C[C@@H]1CN([C@H](C#N)c2ccc(Cl)cc2)C[C@H](C)N1C ZINC000595504266 349644698 /nfs/dbraw/zinc/64/46/98/349644698.db2.gz AEVOHZGWLQAHFJ-TYNCELHUSA-N 0 1 277.799 2.929 20 30 CFEDMN C#CCN1CCC(C(=O)N2CCCCc3ccccc32)CC1 ZINC000068924143 346877151 /nfs/dbraw/zinc/87/71/51/346877151.db2.gz FCUJBQZTHVAVQN-UHFFFAOYSA-N 0 1 296.414 2.701 20 30 CFEDMN N#CC[C@@H]1CCCN(Cc2cnc3ccccc3n2)C1 ZINC000595615526 349677057 /nfs/dbraw/zinc/67/70/57/349677057.db2.gz IOVYJEIACAZAEV-ZDUSSCGKSA-N 0 1 266.348 2.755 20 30 CFEDMN N#CC[C@H]1CCCN(CCOc2ccccc2[N+](=O)[O-])C1 ZINC000595617283 349678849 /nfs/dbraw/zinc/67/88/49/349678849.db2.gz XSXFJFUDTYVILR-CYBMUJFWSA-N 0 1 289.335 2.599 20 30 CFEDMN C=CCN(Cc1ccc([N+](=O)[O-])c(OC)c1)[C@@H](C)COC ZINC000595638681 349685687 /nfs/dbraw/zinc/68/56/87/349685687.db2.gz KVTSPTVUBLVHIB-LBPRGKRZSA-N 0 1 294.351 2.626 20 30 CFEDMN C=CCNC(=O)[C@@H](C)N1CCC[C@@H]1c1cccs1 ZINC000070741731 346913065 /nfs/dbraw/zinc/91/30/65/346913065.db2.gz DQVQUPRYBUYBHP-VXGBXAGGSA-N 0 1 264.394 2.576 20 30 CFEDMN N#Cc1cc(CN2CCC([C@H]3CCCCO3)CC2)ccn1 ZINC000595781207 349731870 /nfs/dbraw/zinc/73/18/70/349731870.db2.gz AOYCIKQRYZXZSZ-QGZVFWFLSA-N 0 1 285.391 2.734 20 30 CFEDMN CN(CC1=CCSC1)Cc1ccc(F)c(C#N)c1 ZINC000595889668 349763302 /nfs/dbraw/zinc/76/33/02/349763302.db2.gz VBHXONLSRCJWCW-UHFFFAOYSA-N 0 1 262.353 2.802 20 30 CFEDMN C[C@@H](C(=O)N(CCC#N)c1ccccc1)N1CC2CC1(C)C2 ZINC000595914490 349767234 /nfs/dbraw/zinc/76/72/34/349767234.db2.gz ATHHJWYNPDZHON-SYJJWHGVSA-N 0 1 297.402 2.806 20 30 CFEDMN Cc1oc(NC(=O)CN(C)C[C@@H]2CC2(C)C)c(C#N)c1C ZINC000595912332 349767955 /nfs/dbraw/zinc/76/79/55/349767955.db2.gz JVMCXMTVTGYNCF-LBPRGKRZSA-N 0 1 289.379 2.685 20 30 CFEDMN CC[N@H+]1CC[C@H](N(C)c2nc(C#N)c(Cl)s2)[C@H](C)C1 ZINC000596135843 349804069 /nfs/dbraw/zinc/80/40/69/349804069.db2.gz BVFYJVSRPCUBPF-KOLCDFICSA-N 0 1 298.843 2.835 20 30 CFEDMN CCc1nc([C@H](C)NC(=O)N[C@@H]2CCC(C)(C)C2)n[nH]1 ZINC000329099112 529745846 /nfs/dbraw/zinc/74/58/46/529745846.db2.gz ZAPCUTSGKZULQP-VHSXEESVSA-N 0 1 279.388 2.510 20 30 CFEDMN N#CCC1(COc2ccccc2-c2nnc[nH]2)CC1 ZINC000596264380 349846993 /nfs/dbraw/zinc/84/69/93/349846993.db2.gz CSMGWHNSGAHOKP-UHFFFAOYSA-N 0 1 254.293 2.544 20 30 CFEDMN Cc1nsc(NC[C@@H]2CCN2C(C)(C)C)c1C#N ZINC000596308752 349859060 /nfs/dbraw/zinc/85/90/60/349859060.db2.gz NFUILBRTUJCWAG-JTQLQIEISA-N 0 1 264.398 2.608 20 30 CFEDMN Cc1nn(C)cc1[C@H](C)N[C@H]1CCc2ccc(C#N)cc21 ZINC000335661691 282301535 /nfs/dbraw/zinc/30/15/35/282301535.db2.gz RGZWTGDOSKJSGY-GTNSWQLSSA-N 0 1 280.375 2.938 20 30 CFEDMN N#CC1(NC(=O)c2ccc(Nc3ccncc3)cc2)CC1 ZINC000074678285 347026524 /nfs/dbraw/zinc/02/65/24/347026524.db2.gz QRTTVKTWEZNVPD-UHFFFAOYSA-N 0 1 278.315 2.611 20 30 CFEDMN C#CCCCN[C@@H](C)c1nc(-c2cccc(F)c2)no1 ZINC000273268098 192094278 /nfs/dbraw/zinc/09/42/78/192094278.db2.gz FUKCWNOTNYAGNO-NSHDSACASA-N 0 1 273.311 2.940 20 30 CFEDMN CC(C)N(Cc1nnc(-c2cccc(C#N)c2)o1)C1CC1 ZINC000075637444 347089171 /nfs/dbraw/zinc/08/91/71/347089171.db2.gz VFLBIJFFTYBJHP-UHFFFAOYSA-N 0 1 282.347 2.981 20 30 CFEDMN C=CCN(Cc1ccccc1)Cc1cccc(C(N)=O)c1 ZINC000029241010 346279771 /nfs/dbraw/zinc/27/97/71/346279771.db2.gz JWKSCMRFCGWEGI-UHFFFAOYSA-N 0 1 280.371 2.974 20 30 CFEDMN CC(C)[C@](C)(C#N)NC(=O)CN1CCC[C@@H]1c1ccccc1 ZINC000029443140 346281205 /nfs/dbraw/zinc/28/12/05/346281205.db2.gz ITVOVSONROMBCC-AEFFLSMTSA-N 0 1 299.418 2.878 20 30 CFEDMN C[C@H](NC(=O)c1n[nH]c2ccccc21)c1ccc(C#N)cc1 ZINC000031434102 346294180 /nfs/dbraw/zinc/29/41/80/346294180.db2.gz RJIWYEOSDPNHMU-NSHDSACASA-N 0 1 290.326 2.926 20 30 CFEDMN C[C@H](CC(=O)NC1(C#N)CCN(C)CC1)CC(C)(C)C ZINC000040221959 346345052 /nfs/dbraw/zinc/34/50/52/346345052.db2.gz DKHDOGOKIGFBBB-CYBMUJFWSA-N 0 1 279.428 2.553 20 30 CFEDMN CC(C)c1nc([C@H](C)NC(=O)N(C)C2CCCC2)n[nH]1 ZINC000328832664 539541439 /nfs/dbraw/zinc/54/14/39/539541439.db2.gz VXTRJKHMOXUTJP-JTQLQIEISA-N 0 1 279.388 2.778 20 30 CFEDMN C=C(C)CN(CC)CC(=O)N1CCCC[C@H]1CC ZINC000052890371 346531212 /nfs/dbraw/zinc/53/12/12/346531212.db2.gz NEICMULQCWWJLJ-CQSZACIVSA-N 0 1 252.402 2.676 20 30 CFEDMN CC(C)(C#N)C(=O)NC[C@H](c1cccs1)N1CCCC1 ZINC000055006669 346580842 /nfs/dbraw/zinc/58/08/42/346580842.db2.gz GKFOWJFHTHPQJP-GFCCVEGCSA-N 0 1 291.420 2.551 20 30 CFEDMN CCCCC(=O)N1CCCN(Cc2ccc(C#N)cc2)CC1 ZINC000055294203 346586606 /nfs/dbraw/zinc/58/66/06/346586606.db2.gz CTGFDQFEKWRHJT-UHFFFAOYSA-N 0 1 299.418 2.783 20 30 CFEDMN O=C(N[C@@H]1CCc2nc[nH]c2C1)[C@@H]1Cc2ccccc21 ZINC000328938114 539550789 /nfs/dbraw/zinc/55/07/89/539550789.db2.gz JYWWPYNVFIAYKN-DGCLKSJQSA-N 0 1 267.332 2.563 20 30 CFEDMN C=CCNC(=O)CN1CCC[C@@H]1c1ccc(OCC)cc1 ZINC000066696347 346774548 /nfs/dbraw/zinc/77/45/48/346774548.db2.gz JNIJIHREOARBKO-MRXNPFEDSA-N 0 1 288.391 2.524 20 30 CFEDMN N#CCc1ccc(NC(=O)Cc2n[nH]c3ccccc32)cc1 ZINC000065086093 346729631 /nfs/dbraw/zinc/72/96/31/346729631.db2.gz NAODTUNJINNIOT-UHFFFAOYSA-N 0 1 290.326 2.810 20 30 CFEDMN C[C@H]1CCCN1Cc1nnc(-c2cccc(C#N)c2)o1 ZINC000076115496 347123471 /nfs/dbraw/zinc/12/34/71/347123471.db2.gz YCYURLHZOHUCKH-NSHDSACASA-N 0 1 268.320 2.593 20 30 CFEDMN CCc1nc([C@H](C)NC(=O)NC2[C@H](C)CCC[C@H]2C)n[nH]1 ZINC000328947941 539551664 /nfs/dbraw/zinc/55/16/64/539551664.db2.gz VYANNGMVYLRVHN-MXWKQRLJSA-N 0 1 293.415 2.756 20 30 CFEDMN COC(=O)c1ccc(-c2cc3[nH]cnc3c(C#N)n2)cc1C ZINC001243017819 781926927 /nfs/dbraw/zinc/92/69/27/781926927.db2.gz DFHNHBNVMKNYNL-UHFFFAOYSA-N 0 1 292.298 2.592 20 30 CFEDMN C[C@H](CNc1ccc(C#N)c(Cl)c1)CN1CCOCC1 ZINC000077995745 347223911 /nfs/dbraw/zinc/22/39/11/347223911.db2.gz JGWJNPQMIALDRA-GFCCVEGCSA-N 0 1 293.798 2.592 20 30 CFEDMN C#CCN1CCC(C(=O)N2CCC[C@@H](C)[C@@H]2CCC)CC1 ZINC000081176777 347405863 /nfs/dbraw/zinc/40/58/63/347405863.db2.gz XGIHWUXUZUGKLJ-WBVHZDCISA-N 0 1 290.451 2.759 20 30 CFEDMN N#Cc1csc(C(=O)Nc2cccc(-c3nnc[nH]3)c2)c1 ZINC000084110928 347457213 /nfs/dbraw/zinc/45/72/13/347457213.db2.gz POMADVYXFALPQD-UHFFFAOYSA-N 0 1 295.327 2.657 20 30 CFEDMN C=CCOc1ccc(CN2CCC[C@@H]2CO)cc1Cl ZINC000092470695 347627637 /nfs/dbraw/zinc/62/76/37/347627637.db2.gz AMQYCUOSFDJBES-CYBMUJFWSA-N 0 1 281.783 2.862 20 30 CFEDMN N#Cc1cccc(-n2[nH]c(-c3ccccc3)cc2=O)c1 ZINC000102361915 347717624 /nfs/dbraw/zinc/71/76/24/347717624.db2.gz OUGGQQBMZWCBGE-UHFFFAOYSA-N 0 1 261.284 2.699 20 30 CFEDMN CC#CCN1CC[C@H](Oc2ccc(C(F)(F)F)cn2)C1 ZINC000093329131 347670128 /nfs/dbraw/zinc/67/01/28/347670128.db2.gz UXBVZWHCIUJGJO-LBPRGKRZSA-N 0 1 284.281 2.577 20 30 CFEDMN CC[N@H+]1CCN(c2cccc(Cl)c2C#N)C[C@@H]1C ZINC000110750677 347749760 /nfs/dbraw/zinc/74/97/60/347749760.db2.gz FOLCYJDFLRDPFC-NSHDSACASA-N 0 1 263.772 2.742 20 30 CFEDMN CCN1CCN(c2cccc(Cl)c2C#N)C[C@@H]1C ZINC000110750677 347749764 /nfs/dbraw/zinc/74/97/64/347749764.db2.gz FOLCYJDFLRDPFC-NSHDSACASA-N 0 1 263.772 2.742 20 30 CFEDMN C=CCNC(=O)CN1CCCC[C@H]1c1ccc(C)cc1 ZINC000124537280 347825063 /nfs/dbraw/zinc/82/50/63/347825063.db2.gz SQCLMFAEVJMTQW-INIZCTEOSA-N 0 1 272.392 2.824 20 30 CFEDMN C=C[C@H](CC(=O)NC[C@@H]1CCC[N@@H+]1CC)c1ccccc1 ZINC000124635886 347825644 /nfs/dbraw/zinc/82/56/44/347825644.db2.gz PRXPUCLZIMUDKD-WBVHZDCISA-N 0 1 286.419 2.947 20 30 CFEDMN C=CCC[NH+]1CCC(C(=O)c2ccc([O-])cc2)CC1 ZINC000132447352 347884906 /nfs/dbraw/zinc/88/49/06/347884906.db2.gz ZLCKFOMZWRQMQG-UHFFFAOYSA-N 0 1 259.349 2.863 20 30 CFEDMN CN(Cc1cccc(C#N)c1)[C@H]1CCCc2c1cnn2C ZINC000135589075 347907577 /nfs/dbraw/zinc/90/75/77/347907577.db2.gz ZQYRCDABSUGIEN-INIZCTEOSA-N 0 1 280.375 2.801 20 30 CFEDMN C[C@H](NCc1ccc(C#N)s1)c1ccc2[nH]c(=O)[nH]c2c1 ZINC000135691978 347908096 /nfs/dbraw/zinc/90/80/96/347908096.db2.gz VZKWXGJIHZLUHX-VIFPVBQESA-N 0 1 298.371 2.640 20 30 CFEDMN C=C(C)CN(CC)C(=O)CN(C)C1Cc2ccccc2C1 ZINC000138427038 347916015 /nfs/dbraw/zinc/91/60/15/347916015.db2.gz ZIOWQXMNHVAXAC-UHFFFAOYSA-N 0 1 286.419 2.510 20 30 CFEDMN C=C(C)CN(CC)C(=O)CN1Cc2ccccc2C[C@H]1C ZINC000172905969 348104023 /nfs/dbraw/zinc/10/40/23/348104023.db2.gz LNKJIHZXDMJRRD-OAHLLOKOSA-N 0 1 286.419 2.858 20 30 CFEDMN CC1(C)CC[N@@H+](Cc2ccnc(C#N)c2)CCS1 ZINC000228087981 348193302 /nfs/dbraw/zinc/19/33/02/348193302.db2.gz QLUUKAYUVAUIHR-UHFFFAOYSA-N 0 1 261.394 2.671 20 30 CFEDMN N#Cc1ccccc1C[N@@H+]1[C@@H]2CCCC[C@@H]2C[C@H]1C(=O)[O-] ZINC000250084227 348285700 /nfs/dbraw/zinc/28/57/00/348285700.db2.gz NQUQTZOMPJAIMU-WQVCFCJDSA-N 0 1 284.359 2.776 20 30 CFEDMN CCN(CC)[C@H](C(=O)N[C@H](C#N)C(C)C)c1ccccc1 ZINC000362044137 348508004 /nfs/dbraw/zinc/50/80/04/348508004.db2.gz JMYVYZMCHQNHGL-CVEARBPZSA-N 0 1 287.407 2.734 20 30 CFEDMN CCN(CC)[C@@H](C(=O)N[C@H](C#N)C(C)C)c1ccccc1 ZINC000362044139 348508023 /nfs/dbraw/zinc/50/80/23/348508023.db2.gz JMYVYZMCHQNHGL-HZPDHXFCSA-N 0 1 287.407 2.734 20 30 CFEDMN CC[C@@H]1CN(CCOc2cccc(C#N)c2)[C@@H](CC)CO1 ZINC000403874306 348587454 /nfs/dbraw/zinc/58/74/54/348587454.db2.gz MEUTWBSLSFUIID-JKSUJKDBSA-N 0 1 288.391 2.826 20 30 CFEDMN CC[C@H]1CN(CCCOc2cccc(C#N)c2)[C@@H](C)CO1 ZINC000403836543 348587574 /nfs/dbraw/zinc/58/75/74/348587574.db2.gz OOWHSJGCPYKTDH-HOCLYGCPSA-N 0 1 288.391 2.826 20 30 CFEDMN CC[C@H]1COC(C)(C)CN1CCOc1ccc(C#N)cc1 ZINC000403909984 348588718 /nfs/dbraw/zinc/58/87/18/348588718.db2.gz YMEMDTMLHCBIGR-HNNXBMFYSA-N 0 1 288.391 2.826 20 30 CFEDMN CCCn1nccc1CNCc1ccc(C#N)c(F)c1 ZINC000404667435 348593732 /nfs/dbraw/zinc/59/37/32/348593732.db2.gz AZFTYLCUDJWGQN-UHFFFAOYSA-N 0 1 272.327 2.594 20 30 CFEDMN C=C(Cl)CN1C[C@@H](CNC(=O)OC(C)(C)C)C[C@H]1C ZINC000493805475 348636653 /nfs/dbraw/zinc/63/66/53/348636653.db2.gz KCAIYZMNSJHZBF-VXGBXAGGSA-N 0 1 288.819 2.974 20 30 CFEDMN C=CCN(CCC#N)C(=O)c1cccc(C(F)(F)F)c1O ZINC000518215643 348643420 /nfs/dbraw/zinc/64/34/20/348643420.db2.gz XLIOKTXCKXYOAO-UHFFFAOYSA-N 0 1 298.264 2.953 20 30 CFEDMN N#CCCCCCC(=O)NCc1nc2ccc(F)cc2[nH]1 ZINC000588627150 348788861 /nfs/dbraw/zinc/78/88/61/348788861.db2.gz CWINFQGXNLSXCJ-UHFFFAOYSA-N 0 1 288.326 2.792 20 30 CFEDMN C=CCN(C(=O)CN1CC[C@@H](C)C1)c1ccccc1 ZINC000585754997 348743253 /nfs/dbraw/zinc/74/32/53/348743253.db2.gz JUAKHPDHFXWVDT-CQSZACIVSA-N 0 1 258.365 2.547 20 30 CFEDMN CC(C)(C)CN(CCO)Cc1cccc(F)c1C#N ZINC000589984773 348867059 /nfs/dbraw/zinc/86/70/59/348867059.db2.gz ZMVSYCDJYAGGHF-UHFFFAOYSA-N 0 1 264.344 2.538 20 30 CFEDMN C[C@H](NCc1cnn(CC(F)F)c1)c1cccc(C#N)c1 ZINC000590067237 348872435 /nfs/dbraw/zinc/87/24/35/348872435.db2.gz WECPRTOOBKFNBO-NSHDSACASA-N 0 1 290.317 2.871 20 30 CFEDMN Cc1cccc2c1ncc(C#N)c2N1C[C@@H](C)N(C)[C@@H](C)C1 ZINC000590146271 348878304 /nfs/dbraw/zinc/87/83/04/348878304.db2.gz GHVJUSZMKMWLOV-OKILXGFUSA-N 0 1 294.402 2.944 20 30 CFEDMN COc1cccc2c1CN([C@H]1CC[C@@H](C#N)C1)CC2 ZINC000590760004 348944816 /nfs/dbraw/zinc/94/48/16/348944816.db2.gz COZIODVRKIMPAY-OCCSQVGLSA-N 0 1 256.349 2.746 20 30 CFEDMN N#Cc1ccc(N2CC[C@@H](N3CCC4(CC4)CC3)C2=O)cc1 ZINC000591022092 348979444 /nfs/dbraw/zinc/97/94/44/348979444.db2.gz NHLUCZXWUVMYKH-MRXNPFEDSA-N 0 1 295.386 2.540 20 30 CFEDMN C[C@@H](CCC#N)N1CCC([C@@](C)(O)C(F)(F)F)CC1 ZINC000591028196 348980255 /nfs/dbraw/zinc/98/02/55/348980255.db2.gz ASWDFTSTGWAHTF-CMPLNLGQSA-N 0 1 278.318 2.704 20 30 CFEDMN N#C[C@H](C(=O)c1cnc(C2CC2)s1)c1ccccn1 ZINC000591862701 349051620 /nfs/dbraw/zinc/05/16/20/349051620.db2.gz ZERUGEPILWQUOI-JTQLQIEISA-N 0 1 269.329 2.906 20 30 CFEDMN N#CC(C(=O)c1cnc(C2CC2)s1)c1ccccn1 ZINC000591862701 349051623 /nfs/dbraw/zinc/05/16/23/349051623.db2.gz ZERUGEPILWQUOI-JTQLQIEISA-N 0 1 269.329 2.906 20 30 CFEDMN C[C@@H]1CC[C@@]2(CCN(Cc3ccncc3C#N)C2)C1 ZINC000592099359 349082595 /nfs/dbraw/zinc/08/25/95/349082595.db2.gz GUJKMBVSIUOWEB-CZUORRHYSA-N 0 1 255.365 2.965 20 30 CFEDMN N#CC[C@@]1(O)CCN(CCSc2ccc(Cl)cc2)C1 ZINC000592147496 349091501 /nfs/dbraw/zinc/09/15/01/349091501.db2.gz PGCMNUPPANXENZ-CQSZACIVSA-N 0 1 296.823 2.783 20 30 CFEDMN C=CCSCCN[C@@H](C)c1cc2n(n1)CCCC2 ZINC000592387895 349113391 /nfs/dbraw/zinc/11/33/91/349113391.db2.gz NKBLUYIMMVFONG-LBPRGKRZSA-N 0 1 265.426 2.789 20 30 CFEDMN CC1(CNC([O-])=[NH+][C@@H]2CCC[C@H]2C#N)Cc2ccccc2C1 ZINC000329678759 539719687 /nfs/dbraw/zinc/71/96/87/539719687.db2.gz VSRDWWKMHGYRLI-JKSUJKDBSA-N 0 1 297.402 2.987 20 30 CFEDMN CC1(C[NH+]=C([O-])N[C@@H]2CCC[C@H]2C#N)Cc2ccccc2C1 ZINC000329678759 539719690 /nfs/dbraw/zinc/71/96/90/539719690.db2.gz VSRDWWKMHGYRLI-JKSUJKDBSA-N 0 1 297.402 2.987 20 30 CFEDMN N#Cc1cnn2cc(CN3C4CCCC3CCC4)cnc12 ZINC000592501815 349128945 /nfs/dbraw/zinc/12/89/45/349128945.db2.gz KANIWDBKLBLDON-UHFFFAOYSA-N 0 1 281.363 2.508 20 30 CFEDMN CCCCOc1ccccc1CN1CC[C@](O)(CC#N)C1 ZINC000592523142 349132698 /nfs/dbraw/zinc/13/26/98/349132698.db2.gz WFXUKOQBNJKIQC-QGZVFWFLSA-N 0 1 288.391 2.716 20 30 CFEDMN Cc1cc(Cl)cc(C)c1CN1CC[C@](O)(CC#N)C1 ZINC000592523365 349133905 /nfs/dbraw/zinc/13/39/05/349133905.db2.gz ZBLWWSVRKFPMHJ-OAHLLOKOSA-N 0 1 278.783 2.807 20 30 CFEDMN N#Cc1cc(CN2CC[C@]3(CC3(F)F)C2)ccc1F ZINC000593117307 349213091 /nfs/dbraw/zinc/21/30/91/349213091.db2.gz LVHSNCSHYBKPDT-ZDUSSCGKSA-N 0 1 266.266 2.928 20 30 CFEDMN N#Cc1cccc(CN2CC[C@]3(CC3(F)F)C2)c1F ZINC000593119548 349215072 /nfs/dbraw/zinc/21/50/72/349215072.db2.gz ZPEYSEQHKCFZIW-ZDUSSCGKSA-N 0 1 266.266 2.928 20 30 CFEDMN Cc1ccccc1[C@@H]1C[C@H]1NC[C@H](C#N)CCC#N ZINC000593182336 349224956 /nfs/dbraw/zinc/22/49/56/349224956.db2.gz IPJVCUPDASLVPP-CWRNSKLLSA-N 0 1 253.349 2.884 20 30 CFEDMN C[C@@H]1CC[C@H](C(=O)OC(C)(C)C)N1CCCSCC#N ZINC000593049563 349194283 /nfs/dbraw/zinc/19/42/83/349194283.db2.gz UMBPUGHJOMVGEB-CHWSQXEVSA-N 0 1 298.452 2.828 20 30 CFEDMN COc1cc(C#N)ccc1CN1CCC[C@@H](OC(C)C)C1 ZINC000593055867 349195933 /nfs/dbraw/zinc/19/59/33/349195933.db2.gz SITFIJSJMGQMIV-MRXNPFEDSA-N 0 1 288.391 2.956 20 30 CFEDMN C[C@H](CO)C1CCN(Cc2cc(C#N)ccc2F)CC1 ZINC000593084957 349204787 /nfs/dbraw/zinc/20/47/87/349204787.db2.gz SLHACFQHPMWTNW-GFCCVEGCSA-N 0 1 276.355 2.538 20 30 CFEDMN CC(C)c1nc(CN2CC(C)(C#N)C2)c2ccccn21 ZINC000593643652 349302921 /nfs/dbraw/zinc/30/29/21/349302921.db2.gz YIWHEIAIUGLEJG-UHFFFAOYSA-N 0 1 268.364 2.803 20 30 CFEDMN C[C@@H](CNC(=O)CCCCC#N)N1CCc2ccccc2C1 ZINC000593960174 349340227 /nfs/dbraw/zinc/34/02/27/349340227.db2.gz NKURQKXDHIIMSL-HNNXBMFYSA-N 0 1 299.418 2.633 20 30 CFEDMN CCOc1ccc(OCCN[C@H](CC)CC#N)cc1 ZINC000594011696 349352782 /nfs/dbraw/zinc/35/27/82/349352782.db2.gz LNPAQBLNTHYDLA-CYBMUJFWSA-N 0 1 262.353 2.746 20 30 CFEDMN CC[C@H](C#N)C(=O)Nc1cc(Cl)c(O)cc1F ZINC000593707783 349312961 /nfs/dbraw/zinc/31/29/61/349312961.db2.gz QNIJCCLLKASUDT-ZCFIWIBFSA-N 0 1 256.664 2.673 20 30 CFEDMN CN(C)[C@H](CNC(=O)CCCCC#N)c1ccc(F)cc1 ZINC000594240734 349398615 /nfs/dbraw/zinc/39/86/15/349398615.db2.gz WRAYDVKREMRZBV-OAHLLOKOSA-N 0 1 291.370 2.629 20 30 CFEDMN C[C@@H](O)CN(Cc1ccc(C#N)cc1OC(F)F)C1CC1 ZINC000594065540 349367699 /nfs/dbraw/zinc/36/76/99/349367699.db2.gz SCSNEZVBWHJKBA-SNVBAGLBSA-N 0 1 296.317 2.505 20 30 CFEDMN COCCc1ccc(OC[C@H](C)NCC2(C#N)CC2)cc1 ZINC000597121689 350032459 /nfs/dbraw/zinc/03/24/59/350032459.db2.gz SASQDSNPIRWYEP-AWEZNQCLSA-N 0 1 288.391 2.536 20 30 CFEDMN C[N@@H+](Cc1ccc(C2(C#N)CC2)cc1)[C@H]1CCCOC1 ZINC000597127398 350033342 /nfs/dbraw/zinc/03/33/42/350033342.db2.gz GFGFQBDRRYWJSC-INIZCTEOSA-N 0 1 270.376 2.853 20 30 CFEDMN N#Cc1ccc2ncc(CN3C[C@@H]4CCCC[C@@H]43)n2c1 ZINC000597160086 350041915 /nfs/dbraw/zinc/04/19/15/350041915.db2.gz ZHVUZSWDNMAEGR-ZFWWWQNUSA-N 0 1 266.348 2.580 20 30 CFEDMN CCn1nc(C)c(CN2CCC[C@H](CC#N)C2)c1C ZINC000597173305 350043029 /nfs/dbraw/zinc/04/30/29/350043029.db2.gz IFXODHVRPPHOCE-CQSZACIVSA-N 0 1 260.385 2.646 20 30 CFEDMN COC(=O)c1ccc(CN[C@H]2CCC[C@H](C#N)C2)c(F)c1 ZINC000597223633 350062083 /nfs/dbraw/zinc/06/20/83/350062083.db2.gz ZJCWWQQGMUPTHK-FZMZJTMJSA-N 0 1 290.338 2.784 20 30 CFEDMN C[C@@H](CC#N)C(=O)Nc1cccc2c1OCC[C@@H]2N(C)C ZINC000597581801 350112993 /nfs/dbraw/zinc/11/29/93/350112993.db2.gz OZFJQXSBWYWMKE-FZMZJTMJSA-N 0 1 287.363 2.560 20 30 CFEDMN N#CC1(CC(=O)Nc2ccc3[nH]nnc3c2)CCCCC1 ZINC000597352073 350088016 /nfs/dbraw/zinc/08/80/16/350088016.db2.gz UJGPOFZFAFFRTC-UHFFFAOYSA-N 0 1 283.335 2.761 20 30 CFEDMN CC[C@@H](C)N1CCN(C(=O)CC2(C#N)CCCCC2)CC1 ZINC000597738073 350130567 /nfs/dbraw/zinc/13/05/67/350130567.db2.gz REXMHBIKXJSATG-OAHLLOKOSA-N 0 1 291.439 2.793 20 30 CFEDMN C[C@@H](C#N)N(C(=O)c1cc(-c2ccc(F)cc2)[nH]n1)C1CC1 ZINC000598126240 350202544 /nfs/dbraw/zinc/20/25/44/350202544.db2.gz SPBVSUNOBNZZKQ-JTQLQIEISA-N 0 1 298.321 2.732 20 30 CFEDMN Cc1ccc(-c2cc(C(=O)N3CC[C@@](C)(C#N)C3)n[nH]2)cc1 ZINC000598407090 350259254 /nfs/dbraw/zinc/25/92/54/350259254.db2.gz FQNNOGDWWMDQHY-KRWDZBQOSA-N 0 1 294.358 2.761 20 30 CFEDMN CC(C)(C#N)C[C@@H](O)CN1CC(C)(C)[C@H]1c1cccnc1 ZINC000598629187 350297654 /nfs/dbraw/zinc/29/76/54/350297654.db2.gz YZCKCHMBDWMIFQ-HUUCEWRRSA-N 0 1 287.407 2.765 20 30 CFEDMN CC1(C)CC[C@@H](CO)N(Cc2ccc(F)c(C#N)c2)C1 ZINC000598649347 350302311 /nfs/dbraw/zinc/30/23/11/350302311.db2.gz UITWXBUAAATFAG-AWEZNQCLSA-N 0 1 276.355 2.680 20 30 CFEDMN CC(C)(C#N)C[C@H](O)CN1CC(C)(c2ccccc2)C1 ZINC000598705551 350314701 /nfs/dbraw/zinc/31/47/01/350314701.db2.gz KSNSLGMQOQKITO-HNNXBMFYSA-N 0 1 272.392 2.561 20 30 CFEDMN CC(C)(C#N)C[C@@H](O)CN1CC[C@@H]1c1cccc(F)c1 ZINC000598591370 350288184 /nfs/dbraw/zinc/28/81/84/350288184.db2.gz AJQULEBPJAZFBC-HUUCEWRRSA-N 0 1 276.355 2.873 20 30 CFEDMN CC(C)(C#N)C[C@H](O)CN1CCc2cc(Cl)ccc2C1 ZINC000598614829 350294182 /nfs/dbraw/zinc/29/41/82/350294182.db2.gz FEQSCJIXPMWFIE-HNNXBMFYSA-N 0 1 292.810 2.999 20 30 CFEDMN Cc1ccc(C#N)cc1NC(=O)[C@@H]1C[C@H](C)Cc2cn[nH]c21 ZINC000598932648 350347134 /nfs/dbraw/zinc/34/71/34/350347134.db2.gz OVUJEUOFBKBMIH-QMTHXVAHSA-N 0 1 294.358 2.894 20 30 CFEDMN Cc1ccc(C#N)cc1NC(=O)[C@@H]1C[C@@H](C)Cc2cn[nH]c21 ZINC000598932647 350347597 /nfs/dbraw/zinc/34/75/97/350347597.db2.gz OVUJEUOFBKBMIH-IINYFYTJSA-N 0 1 294.358 2.894 20 30 CFEDMN CC(C)(C#N)C(=O)Nc1nc2cc(Cl)c(F)cc2[nH]1 ZINC000598781266 350329384 /nfs/dbraw/zinc/32/93/84/350329384.db2.gz NQIPAADGJMTFCX-UHFFFAOYSA-N 0 1 280.690 2.844 20 30 CFEDMN CCCNC(=O)CN(CCC)Cc1ccc(C)c(C#N)c1 ZINC000599264819 350401167 /nfs/dbraw/zinc/40/11/67/350401167.db2.gz OGARRCLZUDSGFQ-UHFFFAOYSA-N 0 1 287.407 2.605 20 30 CFEDMN N#CCCN(Cc1ccccc1)C1(CO)CCCC1 ZINC000599433594 350436587 /nfs/dbraw/zinc/43/65/87/350436587.db2.gz IIEDDEFJGROHNO-UHFFFAOYSA-N 0 1 258.365 2.707 20 30 CFEDMN N#CC1(C[C@H](O)CN2CC[C@@H]2c2cccc(F)c2)CC1 ZINC000599316193 350413457 /nfs/dbraw/zinc/41/34/57/350413457.db2.gz MGAFIYCPZBYMAU-LSDHHAIUSA-N 0 1 274.339 2.627 20 30 CFEDMN Cc1ccc(CN(C)Cc2cccnc2)cc1C#N ZINC000599339146 350417647 /nfs/dbraw/zinc/41/76/47/350417647.db2.gz HZMDRGZANIIECG-UHFFFAOYSA-N 0 1 251.333 2.894 20 30 CFEDMN C=CCC[C@H](O)CN1CCC[C@@]1(C)C(=O)OC(C)(C)C ZINC000599495689 350446184 /nfs/dbraw/zinc/44/61/84/350446184.db2.gz RSGALEKVRIXHAZ-BBRMVZONSA-N 0 1 283.412 2.510 20 30 CFEDMN C=CC[C@@H]1CCN(Cc2ccsc2C(=O)OC)C1 ZINC000599526726 350450508 /nfs/dbraw/zinc/45/05/08/350450508.db2.gz QQBKJZPDOUYXCR-LLVKDONJSA-N 0 1 265.378 2.933 20 30 CFEDMN C=CC[C@@H]1CC[N@H+](Cc2cc([O-])ccc2[N+](=O)[O-])C1 ZINC000599528738 350451470 /nfs/dbraw/zinc/45/14/70/350451470.db2.gz GRMPXWKOJQMCPA-LLVKDONJSA-N 0 1 262.309 2.698 20 30 CFEDMN C=CC[C@H]1CC[N@H+](Cc2cc([O-])ccc2[N+](=O)[O-])C1 ZINC000599528739 350451612 /nfs/dbraw/zinc/45/16/12/350451612.db2.gz GRMPXWKOJQMCPA-NSHDSACASA-N 0 1 262.309 2.698 20 30 CFEDMN C=CCC1(NCc2nc(C(=O)OCC)no2)CCCCC1 ZINC000599609928 350464025 /nfs/dbraw/zinc/46/40/25/350464025.db2.gz MWMJSOOWRIBJHT-UHFFFAOYSA-N 0 1 293.367 2.615 20 30 CFEDMN COC(=O)[C@@H]1CC[N@@H+](CC#Cc2ccccc2)[C@H]2CCC[C@@H]21 ZINC000599657187 350474787 /nfs/dbraw/zinc/47/47/87/350474787.db2.gz WRMXPMJMXCTHOJ-KURKYZTESA-N 0 1 297.398 2.702 20 30 CFEDMN COC(=O)[C@@H]1CCN(CC#Cc2ccccc2)[C@H]2CCC[C@@H]21 ZINC000599657187 350474789 /nfs/dbraw/zinc/47/47/89/350474789.db2.gz WRMXPMJMXCTHOJ-KURKYZTESA-N 0 1 297.398 2.702 20 30 CFEDMN CCC#C[C@@H](C)N1Cc2ccccc2[C@H](C(=O)OC)C1 ZINC000599676056 350478552 /nfs/dbraw/zinc/47/85/52/350478552.db2.gz HLJVIZZSWARKLT-CZUORRHYSA-N 0 1 271.360 2.561 20 30 CFEDMN N#Cc1ccc(NC(=O)CN2CCCC3(CC3)CC2)cc1 ZINC000599672927 350478603 /nfs/dbraw/zinc/47/86/03/350478603.db2.gz KEFOVWOQOXTMGP-UHFFFAOYSA-N 0 1 283.375 2.763 20 30 CFEDMN C[C@]12CCCC[C@H]1CN2CC(=O)Nc1cccc(C#N)c1 ZINC000599676124 350479044 /nfs/dbraw/zinc/47/90/44/350479044.db2.gz YTONZNUQSCLRPD-YOEHRIQHSA-N 0 1 283.375 2.761 20 30 CFEDMN C/C=C/C[C@@H]1CCCN(CC(=O)N[C@@](C)(C#N)C(C)C)C1 ZINC000599691834 350483782 /nfs/dbraw/zinc/48/37/82/350483782.db2.gz SYUZCSLEXFASLF-HEDFYIJFSA-N 0 1 291.439 2.719 20 30 CFEDMN N#Cc1ccc2ncc(CN3CC[C@H]4CC[C@@H](C3)S4)n2c1 ZINC000600190367 350535824 /nfs/dbraw/zinc/53/58/24/350535824.db2.gz OVNAOLKBOHTMAX-CABCVRRESA-N 0 1 298.415 2.676 20 30 CFEDMN C[C@@H](C#N)CNCCc1cccc(C(F)(F)F)c1 ZINC000600145946 350520523 /nfs/dbraw/zinc/52/05/23/350520523.db2.gz SINWJMDUUCWEMM-JTQLQIEISA-N 0 1 256.271 2.997 20 30 CFEDMN Cn1cccc1CN1CCc2c(CC#N)cccc2C1 ZINC000600214290 350542334 /nfs/dbraw/zinc/54/23/34/350542334.db2.gz OPAOTOPFUSLFQL-UHFFFAOYSA-N 0 1 265.360 2.649 20 30 CFEDMN CN(Cc1cn([C@H]2CC[C@@H](C#N)C2)nn1)C1CCCCC1 ZINC000600813635 350617004 /nfs/dbraw/zinc/61/70/04/350617004.db2.gz QNSNTZDMBDSMBN-CJNGLKHVSA-N 0 1 287.411 2.907 20 30 CFEDMN CC(C)N1CCN(c2ncc(C#N)c3ccsc32)CC1 ZINC000601103059 350668369 /nfs/dbraw/zinc/66/83/69/350668369.db2.gz MFCNCYVZGRQNIK-UHFFFAOYSA-N 0 1 286.404 2.698 20 30 CFEDMN C[C@H](N[C@@H](C)[C@@H](O)C(F)(F)F)c1ccc(C#N)c(F)c1 ZINC000601301293 350719869 /nfs/dbraw/zinc/71/98/69/350719869.db2.gz XHTBETAXQZYEJV-YVZVNANGSA-N 0 1 290.260 2.660 20 30 CFEDMN Cc1[nH]n(-c2ccc(C)c(F)c2)c(=O)c1CCC#N ZINC000601948034 350815584 /nfs/dbraw/zinc/81/55/84/350815584.db2.gz IKGZAGANSQWGLA-LBPRGKRZSA-N 0 1 259.284 2.777 20 30 CFEDMN C[C@@H]1CCC2=NN(c3ccc(C#N)cc3)C(=O)[C@@H]2C1 ZINC000601932929 350806288 /nfs/dbraw/zinc/80/62/88/350806288.db2.gz VBPBUPRIBRKFCF-ZWNOBZJWSA-N 0 1 253.305 2.697 20 30 CFEDMN C[C@@H]1CCc2[nH]n(-c3ccc(C#N)cc3)c(=O)c2C1 ZINC000601932929 350806293 /nfs/dbraw/zinc/80/62/93/350806293.db2.gz VBPBUPRIBRKFCF-ZWNOBZJWSA-N 0 1 253.305 2.697 20 30 CFEDMN Cc1[nH]n(-c2ccnc3ccccc32)c(=O)c1CCC#N ZINC000601938845 350810548 /nfs/dbraw/zinc/81/05/48/350810548.db2.gz KPTJIQAXPBJJKA-GFCCVEGCSA-N 0 1 278.315 2.877 20 30 CFEDMN Cc1[nH]n([C@@H](C)c2ccccc2)c(=O)c1CCC#N ZINC000601941006 350811348 /nfs/dbraw/zinc/81/13/48/350811348.db2.gz WMOUJRGRDRWXMN-JSGCOSHPSA-N 0 1 255.321 2.886 20 30 CFEDMN N#Cc1c(F)cccc1CNC[C@@H]1CCCS1 ZINC000602014919 350832154 /nfs/dbraw/zinc/83/21/54/350832154.db2.gz WYGDNERQHYKARL-NSHDSACASA-N 0 1 250.342 2.683 20 30 CFEDMN CC(C)c1nc([C@@H](C)NCc2cccc(F)c2C#N)n[nH]1 ZINC000602016092 350832377 /nfs/dbraw/zinc/83/23/77/350832377.db2.gz UJVMWUSROMQTQG-SNVBAGLBSA-N 0 1 287.342 2.790 20 30 CFEDMN CO[C@@](C)(CNCc1cccc(F)c1C#N)C1CC1 ZINC000602026442 350834816 /nfs/dbraw/zinc/83/48/16/350834816.db2.gz WHFZBVZZPXQQCJ-HNNXBMFYSA-N 0 1 262.328 2.602 20 30 CFEDMN C[C@@H]1CCC[C@@H](CNCc2cccc(F)c2C#N)O1 ZINC000602027988 350834832 /nfs/dbraw/zinc/83/48/32/350834832.db2.gz KYMPDNQOFWJGBV-YPMHNXCESA-N 0 1 262.328 2.745 20 30 CFEDMN Cc1nc[nH]c1C(=O)Nc1cccc(OCCCC#N)c1 ZINC000602076696 350837572 /nfs/dbraw/zinc/83/75/72/350837572.db2.gz SYPUJTCVFYPFRL-UHFFFAOYSA-N 0 1 284.319 2.653 20 30 CFEDMN CC(C)OCCCNCc1cccc(F)c1C#N ZINC000601998806 350826501 /nfs/dbraw/zinc/82/65/01/350826501.db2.gz QCADPDLQDYWLSG-UHFFFAOYSA-N 0 1 250.317 2.602 20 30 CFEDMN CC(C)(C)C[C@@H](O)CNCc1cccc(F)c1C#N ZINC000602003010 350827511 /nfs/dbraw/zinc/82/75/11/350827511.db2.gz CRRATJBFWJVIRX-GFCCVEGCSA-N 0 1 264.344 2.584 20 30 CFEDMN CC[C@H](O)CN(Cc1ccccc1)Cc1cccc(C#N)n1 ZINC000602477589 350898789 /nfs/dbraw/zinc/89/87/89/350898789.db2.gz TWAOTEOEKQGQQN-SFHVURJKSA-N 0 1 295.386 2.726 20 30 CFEDMN CC(C)N(CC(=O)OC(C)(C)C)C[C@H](C)CCC#N ZINC000602477910 350898999 /nfs/dbraw/zinc/89/89/99/350898999.db2.gz USISITYJVZFKSN-CYBMUJFWSA-N 0 1 268.401 2.978 20 30 CFEDMN CCN(C[C@@H](C)C#N)C[C@@H]1CCN(c2ccccc2)C1 ZINC000602448510 350887518 /nfs/dbraw/zinc/88/75/18/350887518.db2.gz VQOSBUCBMOXEFZ-HOTGVXAUSA-N 0 1 271.408 2.994 20 30 CFEDMN CCc1cnc(N2CCN(C[C@@H](C)CCC#N)CC2)s1 ZINC000602471117 350895141 /nfs/dbraw/zinc/89/51/41/350895141.db2.gz FPSLFTDXLYGQDF-ZDUSSCGKSA-N 0 1 292.452 2.767 20 30 CFEDMN C[C@@H](CCC#N)CN1CCOC[C@H]1c1ccccc1 ZINC000602475074 350897362 /nfs/dbraw/zinc/89/73/62/350897362.db2.gz IUODXQDYYOKOHJ-HOCLYGCPSA-N 0 1 258.365 3.000 20 30 CFEDMN C[C@@H](CCC#N)CN1CCOC[C@@H]1c1ccccc1 ZINC000602475073 350897618 /nfs/dbraw/zinc/89/76/18/350897618.db2.gz IUODXQDYYOKOHJ-GOEBONIOSA-N 0 1 258.365 3.000 20 30 CFEDMN C[C@H](CCC#N)CN[C@@H](C)c1nc(C(C)(C)C)no1 ZINC000602641457 350958121 /nfs/dbraw/zinc/95/81/21/350958121.db2.gz FGPYCDHXLKLXNA-MNOVXSKESA-N 0 1 264.373 2.958 20 30 CFEDMN CC(C)[C@H]1N(Cc2cccc(C#N)n2)CC12CCC2 ZINC000602672940 350971747 /nfs/dbraw/zinc/97/17/47/350971747.db2.gz RZYSJWBUXDUATK-OAHLLOKOSA-N 0 1 255.365 2.964 20 30 CFEDMN COc1ccc2c(c1)CC[C@H]2NCC1(C#N)CCC1 ZINC000602699795 350986174 /nfs/dbraw/zinc/98/61/74/350986174.db2.gz RJKFBSZBGXTZDG-OAHLLOKOSA-N 0 1 256.349 2.966 20 30 CFEDMN CCO[C@@H]1C[C@@H](NCC2(C#N)CCCCC2)[C@]12CCCO2 ZINC000602719497 350999135 /nfs/dbraw/zinc/99/91/35/350999135.db2.gz ZHSKCLFQPPOQDU-BFYDXBDKSA-N 0 1 292.423 2.777 20 30 CFEDMN CCOC(=O)C1(CNCc2cccc(F)c2C#N)CCC1 ZINC000602606476 350942927 /nfs/dbraw/zinc/94/29/27/350942927.db2.gz FJNBWRXXZQXKQM-UHFFFAOYSA-N 0 1 290.338 2.520 20 30 CFEDMN C[C@@H](CCC#N)CN1CCO[C@H](COc2ccccc2)C1 ZINC000602634401 350954984 /nfs/dbraw/zinc/95/49/84/350954984.db2.gz OZRLOVJGLFFBIU-RDJZCZTQSA-N 0 1 288.391 2.706 20 30 CFEDMN CC[N@@H+](C[C@H]1CCc2ncnn21)[C@@H](C)c1ccc(C#N)cc1 ZINC000602765562 351016977 /nfs/dbraw/zinc/01/69/77/351016977.db2.gz VJDPNHXVSMOAMU-XJKSGUPXSA-N 0 1 295.390 2.720 20 30 CFEDMN C[N@@H+](Cc1ccc2c(c1)OCO2)CC1(CC#N)CC1 ZINC000602765102 351017569 /nfs/dbraw/zinc/01/75/69/351017569.db2.gz CDGFWPPLXKNMPJ-UHFFFAOYSA-N 0 1 258.321 2.541 20 30 CFEDMN CN(Cc1ccc2c(c1)OCO2)CC1(CC#N)CC1 ZINC000602765102 351017573 /nfs/dbraw/zinc/01/75/73/351017573.db2.gz CDGFWPPLXKNMPJ-UHFFFAOYSA-N 0 1 258.321 2.541 20 30 CFEDMN N#C[C@H](Cc1ccccc1)Sc1nc(C2CC2)n[nH]1 ZINC000602813776 351036122 /nfs/dbraw/zinc/03/61/22/351036122.db2.gz YOCNOFVAUSNQLG-LBPRGKRZSA-N 0 1 270.361 2.909 20 30 CFEDMN C[C@@H]1CN(CCCCC(F)(F)F)C[C@H](C)N1CC#N ZINC000602853818 351045773 /nfs/dbraw/zinc/04/57/73/351045773.db2.gz MAPFMJMQZOGBRI-TXEJJXNPSA-N 0 1 277.334 2.637 20 30 CFEDMN C[C@@H]1CN([C@H]2CCc3ccc(F)cc32)C[C@@H](C)N1CC#N ZINC000602858429 351047163 /nfs/dbraw/zinc/04/71/63/351047163.db2.gz AXOAPXMGDPAOLN-XNJGSVPQSA-N 0 1 287.382 2.731 20 30 CFEDMN C[C@H](c1ccc(C#N)cc1)N1C[C@H](C)N(CC#N)[C@@H](C)C1 ZINC000602856068 351047617 /nfs/dbraw/zinc/04/76/17/351047617.db2.gz JQMSTSIVZVHNPO-SOUVJXGZSA-N 0 1 282.391 2.537 20 30 CFEDMN C[C@@H](CC#N)NCCC(=O)Nc1ccc(Cl)cc1F ZINC000602860302 351048571 /nfs/dbraw/zinc/04/85/71/351048571.db2.gz CNKCCHQXMYJTNS-VIFPVBQESA-N 0 1 283.734 2.699 20 30 CFEDMN C[C@H]1CN(Cc2cc3ccccc3o2)C[C@H](C)N1CC#N ZINC000602860534 351048722 /nfs/dbraw/zinc/04/87/22/351048722.db2.gz JLYPYTLGMADVIG-KBPBESRZSA-N 0 1 283.375 2.851 20 30 CFEDMN C[C@H](CC#N)NCC1(O)CCC(c2ccccc2)CC1 ZINC000602871744 351053844 /nfs/dbraw/zinc/05/38/44/351053844.db2.gz VRSKZYCNSNPAIH-ODIFPOPNSA-N 0 1 272.392 2.967 20 30 CFEDMN Cn1cc(C2=CCCN(Cc3cccc(C#N)c3)C2)cn1 ZINC000602883991 351057361 /nfs/dbraw/zinc/05/73/61/351057361.db2.gz AKFYXKZZYSRNRT-UHFFFAOYSA-N 0 1 278.359 2.581 20 30 CFEDMN N#Cc1cccc(CN2CCC[C@H](n3ccnn3)CC2)c1F ZINC000602893163 351059293 /nfs/dbraw/zinc/05/92/93/351059293.db2.gz UBNGJVABBWCACD-HNNXBMFYSA-N 0 1 299.353 2.516 20 30 CFEDMN CC(C)[C@@](C)(C#N)NC(=O)[C@H](C)N1CCC(CCF)CC1 ZINC000602949553 351071492 /nfs/dbraw/zinc/07/14/92/351071492.db2.gz HMWMHPDLDLRSFO-XJKSGUPXSA-N 0 1 297.418 2.501 20 30 CFEDMN CN(CCC(=O)NCC1CCCCC1)[C@H]1CCC[C@@H]1C#N ZINC000602976260 351076358 /nfs/dbraw/zinc/07/63/58/351076358.db2.gz NIYDHBITZOIYDG-CVEARBPZSA-N 0 1 291.439 2.697 20 30 CFEDMN CN(CCCOc1cccc(C#N)c1)[C@@H]1CCC[C@@H]1C#N ZINC000602978266 351078791 /nfs/dbraw/zinc/07/87/91/351078791.db2.gz OCAVNOHPDDTWIB-NVXWUHKLSA-N 0 1 283.375 2.951 20 30 CFEDMN CN(CCCOc1cccc(C#N)c1)[C@H]1CCC[C@@H]1C#N ZINC000602978268 351078931 /nfs/dbraw/zinc/07/89/31/351078931.db2.gz OCAVNOHPDDTWIB-WBVHZDCISA-N 0 1 283.375 2.951 20 30 CFEDMN CN(CCC(=O)Nc1ccc(C#N)cc1)[C@H]1CCC[C@H]1C#N ZINC000602979561 351080908 /nfs/dbraw/zinc/08/09/08/351080908.db2.gz FWNNAXOVYLGVLX-HOCLYGCPSA-N 0 1 296.374 2.511 20 30 CFEDMN CO[C@H](CN(C)[C@H]1CCC[C@@H]1C#N)C1CCCC1 ZINC000602981608 351083292 /nfs/dbraw/zinc/08/32/92/351083292.db2.gz GQRWIFIVKQLFAX-QLFBSQMISA-N 0 1 250.386 2.816 20 30 CFEDMN C[C@H](c1ccc(C#N)cc1)N1C[C@@H](CO)[C@H](C(F)(F)F)C1 ZINC000602987927 351085842 /nfs/dbraw/zinc/08/58/42/351085842.db2.gz WDCRLSMGPKZCNZ-DDTOSNHZSA-N 0 1 298.308 2.722 20 30 CFEDMN N#Cc1ccc(F)c(CN2CC[C@H](O)[C@@H]3CCCC[C@H]32)c1 ZINC000602998093 351089628 /nfs/dbraw/zinc/08/96/28/351089628.db2.gz XDNUNSWSOOCFFJ-OIISXLGYSA-N 0 1 288.366 2.823 20 30 CFEDMN Cc1ccc(CN[C@@H]2CCCn3nccc32)cc1C#N ZINC000603028703 351091679 /nfs/dbraw/zinc/09/16/79/351091679.db2.gz FEUXUDNYDOXQHL-OAHLLOKOSA-N 0 1 266.348 2.688 20 30 CFEDMN C=C(C)CN(CC)C(=O)[C@H](C)N1C[C@@H](C)S[C@H](C)C1 ZINC000608502819 351448409 /nfs/dbraw/zinc/44/84/09/351448409.db2.gz CGMNGSVYNIYZQJ-MCIONIFRSA-N 0 1 284.469 2.625 20 30 CFEDMN CC(C)N(CCC#N)C(=O)c1cc(-c2cccs2)[nH]n1 ZINC000608815034 351475012 /nfs/dbraw/zinc/47/50/12/351475012.db2.gz ZEXDQKMUHVDOPR-UHFFFAOYSA-N 0 1 288.376 2.902 20 30 CFEDMN N#CC1(C(=O)Nc2cnn(-c3ccncc3)c2)CCCCC1 ZINC000608901329 351481743 /nfs/dbraw/zinc/48/17/43/351481743.db2.gz VBGBCFGPUWHYJA-UHFFFAOYSA-N 0 1 295.346 2.680 20 30 CFEDMN CC1(C)CN(Cc2ccc(C#N)cc2)C(C)(C)CO1 ZINC000609671535 351515296 /nfs/dbraw/zinc/51/52/96/351515296.db2.gz FCADKZXLZZVXIO-UHFFFAOYSA-N 0 1 258.365 2.948 20 30 CFEDMN CC(C)[C@H](C#N)N1CCN(C[C@@H](C)c2ccccc2)CC1 ZINC000609739047 351517372 /nfs/dbraw/zinc/51/73/72/351517372.db2.gz RGVVGPHPXOYYHO-AEFFLSMTSA-N 0 1 285.435 2.956 20 30 CFEDMN CC[C@H](C)CN1CCN(c2oc(C3CC3)nc2C#N)CC1 ZINC000610675188 351591239 /nfs/dbraw/zinc/59/12/39/351591239.db2.gz KNJXCTFKBZTKOI-LBPRGKRZSA-N 0 1 288.395 2.592 20 30 CFEDMN C[C@H](NC(=O)[C@@H]1CCCc2[nH]ncc21)c1cccc(C#N)c1 ZINC000610712196 351595692 /nfs/dbraw/zinc/59/56/92/351595692.db2.gz YQKVQCAVPSHGBT-SMDDNHRTSA-N 0 1 294.358 2.579 20 30 CFEDMN C[C@@H](N[C@@H](C)c1cccc(C#N)c1)C(=O)N1CCCCCC1 ZINC000610346287 351557185 /nfs/dbraw/zinc/55/71/85/351557185.db2.gz RZMRKNGHXRXIAO-LSDHHAIUSA-N 0 1 299.418 3.000 20 30 CFEDMN C[C@H](NC(=O)c1[nH]nc2c1CCCC2)c1cccc(C#N)c1 ZINC000610363800 351559923 /nfs/dbraw/zinc/55/99/23/351559923.db2.gz ZKEIKQJEZDPYRP-NSHDSACASA-N 0 1 294.358 2.651 20 30 CFEDMN CN(C)c1ccc(CNC2(c3cccc(C#N)c3)CC2)cn1 ZINC000611120065 351642036 /nfs/dbraw/zinc/64/20/36/351642036.db2.gz HREPLGGRWQDUII-UHFFFAOYSA-N 0 1 292.386 2.798 20 30 CFEDMN CCOC(=O)CCC1CCN(Cc2ccc(C#N)o2)CC1 ZINC000611274961 351661916 /nfs/dbraw/zinc/66/19/16/351661916.db2.gz GIGYBMQRFPNQGX-UHFFFAOYSA-N 0 1 290.363 2.707 20 30 CFEDMN Cc1cc(CN2CCN(CCC#N)CC2)c2ccccc2n1 ZINC000611174853 351646942 /nfs/dbraw/zinc/64/69/42/351646942.db2.gz ODIVHTRZNIUGBW-UHFFFAOYSA-N 0 1 294.402 2.575 20 30 CFEDMN N#Cc1ccc(CNc2cnn(-c3ccncc3)c2)c(F)c1 ZINC000610946909 351623140 /nfs/dbraw/zinc/62/31/40/351623140.db2.gz QZFCTGUPSIBGOO-UHFFFAOYSA-N 0 1 293.305 2.890 20 30 CFEDMN CN(Cc1ccnc(C#N)c1)[C@H](CCO)c1ccccc1 ZINC000610994456 351631283 /nfs/dbraw/zinc/63/12/83/351631283.db2.gz ZRPVWKGNPXRKIT-QGZVFWFLSA-N 0 1 281.359 2.509 20 30 CFEDMN C[C@@H](NCC(=O)NC(C1CC1)C1CC1)c1cccc(C#N)c1 ZINC000611386043 351678144 /nfs/dbraw/zinc/67/81/44/351678144.db2.gz AZYYDGSKRRUEGV-GFCCVEGCSA-N 0 1 297.402 2.514 20 30 CFEDMN Cc1cc(CN[C@H]2CCCc3cc(C#N)ccc32)[nH]n1 ZINC000611393147 351681142 /nfs/dbraw/zinc/68/11/42/351681142.db2.gz LJCKDPNNHXZOGY-INIZCTEOSA-N 0 1 266.348 2.757 20 30 CFEDMN CC#CCN[C@@H](c1ccccc1)C(C)(C)C(=O)OC ZINC000611406906 351684478 /nfs/dbraw/zinc/68/44/78/351684478.db2.gz ZVZZCAHPHGJZRI-AWEZNQCLSA-N 0 1 259.349 2.540 20 30 CFEDMN C[C@H]1CCN(CCC(=O)Nc2cccc(C#N)c2)C[C@H]1F ZINC000611502111 351699388 /nfs/dbraw/zinc/69/93/88/351699388.db2.gz NPDWVYPDELWWIL-SWLSCSKDSA-N 0 1 289.354 2.567 20 30 CFEDMN C[C@@H]1CCN(CCC(=O)Nc2ccccc2C#N)C[C@H]1F ZINC000611502612 351700344 /nfs/dbraw/zinc/70/03/44/351700344.db2.gz VWARCSSCAIBNLX-TZMCWYRMSA-N 0 1 289.354 2.567 20 30 CFEDMN COC(=O)C(C)(C)[C@@H]1CCCN(Cc2ccc(C#N)o2)C1 ZINC000611532248 351705307 /nfs/dbraw/zinc/70/53/07/351705307.db2.gz SBWPLQQUOLXKLK-GFCCVEGCSA-N 0 1 290.363 2.562 20 30 CFEDMN CNC(=O)[C@H](CC(C)C)N[C@@H](C)c1ccc(C#N)cc1F ZINC000611588565 351711991 /nfs/dbraw/zinc/71/19/91/351711991.db2.gz GTUXAVJONRITAN-NHYWBVRUSA-N 0 1 291.370 2.509 20 30 CFEDMN C[C@@]1(C#N)CCCN(C[C@H](O)CCc2ccccc2)C1 ZINC000612473109 351825321 /nfs/dbraw/zinc/82/53/21/351825321.db2.gz ILOBBJIXVCNRLB-SJORKVTESA-N 0 1 272.392 2.606 20 30 CFEDMN C[C@]1(C#N)CCCN(Cc2[nH]nc3ccccc32)C1 ZINC000612405638 351815728 /nfs/dbraw/zinc/81/57/28/351815728.db2.gz BPXTUMLCYLFBQI-OAHLLOKOSA-N 0 1 254.337 2.689 20 30 CFEDMN Cc1cccc(NC(=O)C[C@H](C)NCC(C)(C)C#N)c1 ZINC000612585412 351839554 /nfs/dbraw/zinc/83/95/54/351839554.db2.gz BJTDRKCTXFTVIA-ZDUSSCGKSA-N 0 1 273.380 2.852 20 30 CFEDMN C=CCN(C(=O)c1cc(CCCCC)[nH]n1)C1CC1 ZINC000613239071 351922470 /nfs/dbraw/zinc/92/24/70/351922470.db2.gz JDBILGXBSFLHGQ-UHFFFAOYSA-N 0 1 261.369 2.933 20 30 CFEDMN Cc1cnc([C@H](C)NC[C@H](O)c2ccc(C#N)cc2)s1 ZINC000124313219 187131860 /nfs/dbraw/zinc/13/18/60/187131860.db2.gz LZIUPJGREQXYRM-FZMZJTMJSA-N 0 1 287.388 2.707 20 30 CFEDMN Cc1cc(CNc2nc(C(C)(C)C)ccc2C#N)n[nH]1 ZINC000613423753 351956578 /nfs/dbraw/zinc/95/65/78/351956578.db2.gz NHRCTXHGWWDLNN-UHFFFAOYSA-N 0 1 269.352 2.894 20 30 CFEDMN C[C@H]1CN(c2nc(C(C)(C)C)ccc2C#N)[C@@H](C)CN1C ZINC000613431424 351958236 /nfs/dbraw/zinc/95/82/36/351958236.db2.gz ZOQSRRIGUGEOMP-STQMWFEESA-N 0 1 286.423 2.780 20 30 CFEDMN C=CCNC(=O)[C@H](C)N[C@@H](C)c1ccccc1OC(C)C ZINC000614573389 352104516 /nfs/dbraw/zinc/10/45/16/352104516.db2.gz DLIUUCJGXSJLPV-KBPBESRZSA-N 0 1 290.407 2.815 20 30 CFEDMN C=CCNC(=O)[C@@H](C)N[C@@H](C)c1ccccc1OC(C)C ZINC000614573393 352104705 /nfs/dbraw/zinc/10/47/05/352104705.db2.gz DLIUUCJGXSJLPV-UONOGXRCSA-N 0 1 290.407 2.815 20 30 CFEDMN C[C@H]1CCN(Cc2ccc(C(C)(C)C#N)cc2)[C@@H](C(N)=O)C1 ZINC000614597583 352106104 /nfs/dbraw/zinc/10/61/04/352106104.db2.gz ZMMQCAKWPHIXOG-XJKSGUPXSA-N 0 1 299.418 2.574 20 30 CFEDMN COC(=O)c1cccc(CN2CC[C@H]3CCC[C@@H]32)c1C#N ZINC000614600771 352106861 /nfs/dbraw/zinc/10/68/61/352106861.db2.gz JIVKRBPPLIQWPU-WBMJQRKESA-N 0 1 284.359 2.719 20 30 CFEDMN Cc1cc(C#N)ccc1CN1C[C@H](C)O[C@H](C)[C@H]1C ZINC000615000400 352140415 /nfs/dbraw/zinc/14/04/15/352140415.db2.gz YAFSOVAVRBGKKO-BFHYXJOUSA-N 0 1 258.365 2.864 20 30 CFEDMN COCCN(CCC#N)C[C@@H]1C(C)=CCC[C@@H]1C ZINC000615504238 352199935 /nfs/dbraw/zinc/19/99/35/352199935.db2.gz UAUYXIAVALCRJZ-LSDHHAIUSA-N 0 1 250.386 2.841 20 30 CFEDMN C=CCC1(NC(=O)[C@@H]2CCc3[nH]cnc3C2)CCCCC1 ZINC000615960927 352267953 /nfs/dbraw/zinc/26/79/53/352267953.db2.gz JBDAXUQOWDEBDO-CYBMUJFWSA-N 0 1 287.407 2.910 20 30 CFEDMN C=CCC1(C(=O)NCc2ccc3nc[nH]c3c2)CCOCC1 ZINC000615794076 352243263 /nfs/dbraw/zinc/24/32/63/352243263.db2.gz HIHMMZBBGNCISL-UHFFFAOYSA-N 0 1 299.374 2.552 20 30 CFEDMN Cc1nc(N[C@H](C)c2n[nH]c(C(C)C)n2)ccc1C#N ZINC000292022892 198136920 /nfs/dbraw/zinc/13/69/20/198136920.db2.gz SXYKSBOKTOQRJJ-SNVBAGLBSA-N 0 1 270.340 2.676 20 30 CFEDMN C=CC[C@H]1CCCN(C(=O)c2cc(C(F)(F)F)[nH]n2)C1 ZINC000617780497 352644031 /nfs/dbraw/zinc/64/40/31/352644031.db2.gz WHHDRVDFPWVBFL-VIFPVBQESA-N 0 1 287.285 2.857 20 30 CFEDMN C=CC[C@H]1CCCN(C(=O)c2cccc3c[nH]nc32)C1 ZINC000617787727 352647255 /nfs/dbraw/zinc/64/72/55/352647255.db2.gz VWAKSETYCYTCHL-LBPRGKRZSA-N 0 1 269.348 2.991 20 30 CFEDMN C=CC[C@@H]1CCCN(C(=O)c2[nH]nc3ccccc32)C1 ZINC000617789320 352648147 /nfs/dbraw/zinc/64/81/47/352648147.db2.gz FLGJCVNFSAOZQA-GFCCVEGCSA-N 0 1 269.348 2.991 20 30 CFEDMN C[C@@H]1CN(Cc2ccc(CC#N)cc2)C2(CCC2)CO1 ZINC000593091368 539918029 /nfs/dbraw/zinc/91/80/29/539918029.db2.gz GXXBDWVGDUNTFX-CQSZACIVSA-N 0 1 270.376 2.896 20 30 CFEDMN CCN(CC)Cc1ccc(C(=O)Nc2cc(C#N)ccn2)o1 ZINC000618137844 352722423 /nfs/dbraw/zinc/72/24/23/352722423.db2.gz PNHPQDLXFZSQIK-UHFFFAOYSA-N 0 1 298.346 2.640 20 30 CFEDMN Cc1cc(CN[C@@](C)(CO)c2ccccc2)ccc1C#N ZINC000618193474 352735817 /nfs/dbraw/zinc/73/58/17/352735817.db2.gz HUPVRKCMLCNYEF-SFHVURJKSA-N 0 1 280.371 2.864 20 30 CFEDMN Cc1cc(CN[C@](C)(CO)c2ccccc2)ccc1C#N ZINC000618193473 352735952 /nfs/dbraw/zinc/73/59/52/352735952.db2.gz HUPVRKCMLCNYEF-GOSISDBHSA-N 0 1 280.371 2.864 20 30 CFEDMN Cn1nc(CN[C@@H]2CCC[C@@H](C#N)C2)c2ccccc21 ZINC000618575440 352816557 /nfs/dbraw/zinc/81/65/57/352816557.db2.gz GXOWQRNAQMSGDQ-CHWSQXEVSA-N 0 1 268.364 2.745 20 30 CFEDMN C=CCC[C@@H](O)CN[C@@H](C)c1c(F)cccc1F ZINC000271643416 191255419 /nfs/dbraw/zinc/25/54/19/191255419.db2.gz CUZACVJULKQPBL-WDEREUQCSA-N 0 1 255.308 2.943 20 30 CFEDMN COc1ccc(CN(C)Cc2ccc(C#N)c(C)c2)cn1 ZINC000618604756 352832789 /nfs/dbraw/zinc/83/27/89/352832789.db2.gz UUIQBDDBLBXLFV-UHFFFAOYSA-N 0 1 281.359 2.902 20 30 CFEDMN CC(=O)Nc1cccc2c1CCN([C@H]1CC[C@H](C#N)C1)C2 ZINC000618903939 352908391 /nfs/dbraw/zinc/90/83/91/352908391.db2.gz RFAGAQMQTKEURU-ZFWWWQNUSA-N 0 1 283.375 2.695 20 30 CFEDMN CCCCCCNC(=O)CN[C@H](C)c1ccc(C#N)cc1 ZINC000271671197 191269177 /nfs/dbraw/zinc/26/91/77/191269177.db2.gz NLCPBPTWNOZRRI-CQSZACIVSA-N 0 1 287.407 2.905 20 30 CFEDMN C=C(C)C(C)(C)C(=O)NC[C@@H]1CCN1Cc1ccccc1 ZINC000620778335 353232104 /nfs/dbraw/zinc/23/21/04/353232104.db2.gz DRCGMBYWUVNBPQ-INIZCTEOSA-N 0 1 286.419 2.979 20 30 CFEDMN C=C(C)C[C@@H](C)C(=O)NC[C@@H]1CCN1Cc1ccccc1 ZINC000620770593 353230393 /nfs/dbraw/zinc/23/03/93/353230393.db2.gz BGYCPOYMYJTHAC-WBVHZDCISA-N 0 1 286.419 2.979 20 30 CFEDMN CC#CCCN1CCCN(C(=O)Oc2ccccc2)CC1 ZINC000155698713 188222073 /nfs/dbraw/zinc/22/20/73/188222073.db2.gz IDFUDVQYTJWIRA-UHFFFAOYSA-N 0 1 286.375 2.607 20 30 CFEDMN C=CCNC(=O)[C@H](C)Sc1nc2ccc(C)cc2[nH]1 ZINC000007060944 539988603 /nfs/dbraw/zinc/98/86/03/539988603.db2.gz HIUIPVDZNVPOFE-JTQLQIEISA-N 0 1 275.377 2.654 20 30 CFEDMN C#CCCCCNC(=O)[C@H](c1ccccc1)N(CC)CC ZINC000156023240 188239339 /nfs/dbraw/zinc/23/93/39/188239339.db2.gz AMAWOUDDRDQSHJ-KRWDZBQOSA-N 0 1 286.419 2.989 20 30 CFEDMN CC#CCCN(Cc1nc2ccccc2c(=O)[nH]1)[C@@H](C)CC ZINC000156641409 188273698 /nfs/dbraw/zinc/27/36/98/188273698.db2.gz JOJMTXXFIUYOTF-AWEZNQCLSA-N 0 1 297.402 2.937 20 30 CFEDMN CCN(CC#Cc1ccc(F)cc1)C[C@@H]1CCCO1 ZINC000157190041 188301961 /nfs/dbraw/zinc/30/19/61/188301961.db2.gz KGLFVSQOGHQDAR-INIZCTEOSA-N 0 1 261.340 2.678 20 30 CFEDMN CC#CCN(C)Cc1ccc(OC)c(OC(F)F)c1 ZINC000157632277 188328858 /nfs/dbraw/zinc/32/88/58/188328858.db2.gz QVGBMEWJCPVYGW-UHFFFAOYSA-N 0 1 269.291 2.752 20 30 CFEDMN CC(C)(C)CN(CCC#N)C(=O)c1cccc2[nH]cnc21 ZINC000157918348 188347087 /nfs/dbraw/zinc/34/70/87/188347087.db2.gz WLJSCJCONBEJAD-UHFFFAOYSA-N 0 1 284.363 2.965 20 30 CFEDMN C=CCN(CC=C)Cc1ccc(N2CCCC2)nc1 ZINC000158127711 188358273 /nfs/dbraw/zinc/35/82/73/188358273.db2.gz JJARBMLMEDIYKY-UHFFFAOYSA-N 0 1 257.381 2.856 20 30 CFEDMN C=C(C)CN1CCc2nccc(Br)c2C1 ZINC000623285893 353607558 /nfs/dbraw/zinc/60/75/58/353607558.db2.gz ZGQSQFYJVNFGRG-UHFFFAOYSA-N 0 1 267.170 2.778 20 30 CFEDMN C=CCOCCN=c1nc(-c2ccccc2C)[nH]s1 ZINC000624092598 353802403 /nfs/dbraw/zinc/80/24/03/353802403.db2.gz UUOQBOJGIGNPGH-UHFFFAOYSA-N 0 1 275.377 2.550 20 30 CFEDMN C=CC[C@H]1CC[N@H+](CC(=O)N(CC)Cc2ccccc2)C1 ZINC000625699389 354088053 /nfs/dbraw/zinc/08/80/53/354088053.db2.gz DOODEUHMNOXAIC-INIZCTEOSA-N 0 1 286.419 2.933 20 30 CFEDMN C=CC[C@@H]1CCN(Cc2nnc(C3CC3)n2C2CC2)C1 ZINC000625700612 354089249 /nfs/dbraw/zinc/08/92/49/354089249.db2.gz CWIJSMIWURACAN-GFCCVEGCSA-N 0 1 272.396 2.888 20 30 CFEDMN C=CC[C@@H]1CCN(Cc2nc(-c3cc(C)ccn3)no2)C1 ZINC000625700958 354089484 /nfs/dbraw/zinc/08/94/84/354089484.db2.gz FYTZLOFBPTVOKG-CYBMUJFWSA-N 0 1 284.363 2.838 20 30 CFEDMN C=CC(C)(C)CCNC(=O)[C@@H]1CCCc2[nH]ncc21 ZINC000628315639 354540728 /nfs/dbraw/zinc/54/07/28/354540728.db2.gz QXERPUXSVZHXHJ-LLVKDONJSA-N 0 1 261.369 2.548 20 30 CFEDMN C=CC[C@H]1CCN(C(=O)c2cccc3n[nH]cc32)C1 ZINC000628484583 354603309 /nfs/dbraw/zinc/60/33/09/354603309.db2.gz QDCMRWDSKYRKFQ-NSHDSACASA-N 0 1 255.321 2.601 20 30 CFEDMN C=CC[C@@H]1CCN(C(=O)[C@H](C)N2CCc3ccccc3C2)C1 ZINC000628488045 354605139 /nfs/dbraw/zinc/60/51/39/354605139.db2.gz QMEUEHKQUROBPS-JKSUJKDBSA-N 0 1 298.430 2.858 20 30 CFEDMN C=CC[C@@H]1CC[N@H+](CCOc2ccccc2C(=O)[O-])C1 ZINC000629366710 354789379 /nfs/dbraw/zinc/78/93/79/354789379.db2.gz STQXOJAZDLPISM-CYBMUJFWSA-N 0 1 275.348 2.662 20 30 CFEDMN C=CC[C@@H](CO)NCc1nc(-c2ccccc2)cs1 ZINC000273507259 192179914 /nfs/dbraw/zinc/17/99/14/192179914.db2.gz QFROLBSKZITBKP-ZDUSSCGKSA-N 0 1 274.389 2.837 20 30 CFEDMN C=C1CC(C)(C(=O)NC[C@H](C)N2CCc3ccccc3C2)C1 ZINC000630706526 355155262 /nfs/dbraw/zinc/15/52/62/355155262.db2.gz NXSMNNUPLBFTMQ-HNNXBMFYSA-N 0 1 298.430 2.906 20 30 CFEDMN C=CCNC(=O)CNC/C=C\c1c(C)cc(C)cc1C ZINC000631110211 355295877 /nfs/dbraw/zinc/29/58/77/355295877.db2.gz WMJWJFXFLSCEJH-SREVYHEPSA-N 0 1 272.392 2.517 20 30 CFEDMN C=C1CC(C)(C(=O)N[C@@H](C)c2n[nH]c([C@H](C)CC)n2)C1 ZINC000632753525 355737938 /nfs/dbraw/zinc/73/79/38/355737938.db2.gz HQSMWUUHEOJDQP-MNOVXSKESA-N 0 1 276.384 2.852 20 30 CFEDMN N#Cc1ccc(C(=O)Nc2cc(C(F)(F)F)n[nH]2)s1 ZINC000336607073 283133162 /nfs/dbraw/zinc/13/31/62/283133162.db2.gz RVPOVZFKWZIJQT-UHFFFAOYSA-N 0 1 286.238 2.614 20 30 CFEDMN C=CC[C@@H]1CCCN(C(=O)c2n[nH]cc2C(F)(F)F)C1 ZINC000633619512 355949356 /nfs/dbraw/zinc/94/93/56/355949356.db2.gz ZOKWCCMJMRYGFU-SECBINFHSA-N 0 1 287.285 2.857 20 30 CFEDMN C=CCCC(C)(C)CNC(=O)[C@H]1CCCc2[nH]ncc21 ZINC000633965196 356045679 /nfs/dbraw/zinc/04/56/79/356045679.db2.gz LBBDKLKWSDNLCO-LBPRGKRZSA-N 0 1 275.396 2.938 20 30 CFEDMN C=CCCC(C)(C)CNC(=O)c1[nH]nc2c1CCC2 ZINC000633964986 356045934 /nfs/dbraw/zinc/04/59/34/356045934.db2.gz UXHRSZFFDNKPIY-UHFFFAOYSA-N 0 1 261.369 2.621 20 30 CFEDMN C=CCCC(C)(C)CNC(=O)[C@@H]1CCCN1C1CC1 ZINC000633965642 356045952 /nfs/dbraw/zinc/04/59/52/356045952.db2.gz XZKSKVYTJSPESD-AWEZNQCLSA-N 0 1 264.413 2.722 20 30 CFEDMN N#Cc1ccc(CN2CCC([C@@H]3CCCOC3)CC2)o1 ZINC000367876328 283139343 /nfs/dbraw/zinc/13/93/43/283139343.db2.gz CZENZTVGDPOWGE-CQSZACIVSA-N 0 1 274.364 2.790 20 30 CFEDMN N#Cc1ccc(CN[C@@H]2c3ccccc3CC[C@H]2CO)o1 ZINC000377024898 283147263 /nfs/dbraw/zinc/14/72/63/283147263.db2.gz LQVYZQHOZZSUJP-GUYCJALGSA-N 0 1 282.343 2.537 20 30 CFEDMN N#Cc1ccc(CN[C@@H]2CCO[C@H]2c2ccccc2)o1 ZINC000176746848 283147551 /nfs/dbraw/zinc/14/75/51/283147551.db2.gz ICNLDLAJGVVMFP-CVEARBPZSA-N 0 1 268.316 2.771 20 30 CFEDMN N#Cc1cccc([N+](=O)[O-])c1CN1CC[C@@H]2CCC[C@@H]21 ZINC000459419233 283212797 /nfs/dbraw/zinc/21/27/97/283212797.db2.gz BIZUNTRHEGCQNQ-FZMZJTMJSA-N 0 1 271.320 2.841 20 30 CFEDMN N#Cc1cnc(CN2CCC[C@@H]2C2CCCC2)nc1 ZINC000331767385 283229922 /nfs/dbraw/zinc/22/99/22/283229922.db2.gz BFXVAEQGWFLJOV-CQSZACIVSA-N 0 1 256.353 2.503 20 30 CFEDMN C=CCOCCN1CCN([C@@H](C)c2ccsc2)CC1 ZINC000294337563 199004475 /nfs/dbraw/zinc/00/44/75/199004475.db2.gz ANKSSZHLXULVCJ-AWEZNQCLSA-N 0 1 280.437 2.629 20 30 CFEDMN CCCN(Cc1cc(F)ccc1C#N)CC(C)(C)O ZINC000268366092 283292690 /nfs/dbraw/zinc/29/26/90/283292690.db2.gz IVYPOYKSLCAJKM-UHFFFAOYSA-N 0 1 264.344 2.680 20 30 CFEDMN C=CCN(CCc1ccccc1)Cc1ccnc(OC)n1 ZINC000294920349 199249390 /nfs/dbraw/zinc/24/93/90/199249390.db2.gz TXXYUNMRMRBIMW-UHFFFAOYSA-N 0 1 283.375 2.716 20 30 CFEDMN C=C(C)CN(C)C(=O)c1cccc(Br)c1O ZINC000679244837 540552700 /nfs/dbraw/zinc/55/27/00/540552700.db2.gz HRXZBOCFVXXPRN-UHFFFAOYSA-N 0 1 284.153 2.803 20 30 CFEDMN CON(CC(C)(C)C)C(=O)N=c1s[nH]c(C)c1C#N ZINC000297479623 200205133 /nfs/dbraw/zinc/20/51/33/200205133.db2.gz SBIDWMFENOLNLM-UHFFFAOYSA-N 0 1 282.369 2.765 20 30 CFEDMN C=CCCCC(=O)NCCN(C)Cc1ccc(F)cc1 ZINC000177066008 189026252 /nfs/dbraw/zinc/02/62/52/189026252.db2.gz PQDLYIJBMLPKFI-UHFFFAOYSA-N 0 1 278.371 2.730 20 30 CFEDMN Clc1ccc(C#CC[N@H+]2CCC23CCOCC3)cc1 ZINC000683524741 540768395 /nfs/dbraw/zinc/76/83/95/540768395.db2.gz KSZWOCAGLFQVTD-UHFFFAOYSA-N 0 1 275.779 2.946 20 30 CFEDMN Clc1ccc(C#CCN2CCC23CCOCC3)cc1 ZINC000683524741 540768398 /nfs/dbraw/zinc/76/83/98/540768398.db2.gz KSZWOCAGLFQVTD-UHFFFAOYSA-N 0 1 275.779 2.946 20 30 CFEDMN C=CC[C@H](Cc1ccccc1)NC(=O)CCc1cnc[nH]1 ZINC000412838805 540807394 /nfs/dbraw/zinc/80/73/94/540807394.db2.gz KSNMWOQWYUBIEK-OAHLLOKOSA-N 0 1 283.375 2.646 20 30 CFEDMN C=CCCCC(=O)N1CCC[C@@H](c2n[nH]c(C3CC3)n2)C1 ZINC000179353793 189188192 /nfs/dbraw/zinc/18/81/92/189188192.db2.gz ITHIIEYFGXAOFS-CYBMUJFWSA-N 0 1 288.395 2.744 20 30 CFEDMN C=CCNC(=O)[C@@H](C)N[C@@H](C)c1cccc(OC(F)F)c1 ZINC000179593418 189205659 /nfs/dbraw/zinc/20/56/59/189205659.db2.gz SQISIMJDFRPQBH-WDEREUQCSA-N 0 1 298.333 2.629 20 30 CFEDMN C=CC[C@@H]1N(C(=O)CCc2cnc[nH]2)CCCC1(C)C ZINC000357333177 540953714 /nfs/dbraw/zinc/95/37/14/540953714.db2.gz COPKFWKVMWPODN-AWEZNQCLSA-N 0 1 275.396 2.936 20 30 CFEDMN C=C[C@H](CC(=O)N1CCC2(CN(C)C2)C1)c1ccccc1 ZINC000670377490 540957830 /nfs/dbraw/zinc/95/78/30/540957830.db2.gz NRQUCOJJNCXRBR-OAHLLOKOSA-N 0 1 284.403 2.510 20 30 CFEDMN C=CCC[C@@H](O)CN(C)Cc1cc(F)c(F)c(F)c1 ZINC000180508700 189260170 /nfs/dbraw/zinc/26/01/70/189260170.db2.gz YFVZVSQFJXIKEP-LLVKDONJSA-N 0 1 273.298 2.863 20 30 CFEDMN Cc1ccnc(NCCOc2ccc(C#N)cc2)c1 ZINC000301673281 201129435 /nfs/dbraw/zinc/12/94/35/201129435.db2.gz ZWWFYCKBBXHPPN-UHFFFAOYSA-N 0 1 253.305 2.753 20 30 CFEDMN CN(Cc1cccc(C#N)c1F)C[C@H](O)Cc1ccccc1 ZINC000433085675 240097558 /nfs/dbraw/zinc/09/75/58/240097558.db2.gz XJHBGYFPUVIGQE-QGZVFWFLSA-N 0 1 298.361 2.733 20 30 CFEDMN COc1ccsc1C=C(C)c1nc(C)c(C#N)c(=O)[nH]1 ZINC000435336518 240303715 /nfs/dbraw/zinc/30/37/15/240303715.db2.gz PGHBFADGQCVGEB-SOFGYWHQSA-N 0 1 287.344 2.581 20 30 CFEDMN Cc1oc(C#N)cc1C(=O)Nc1ccc2nc[nH]c2c1 ZINC000436122835 240392730 /nfs/dbraw/zinc/39/27/30/240392730.db2.gz LDTBFZBVAFCHEU-UHFFFAOYSA-N 0 1 266.260 2.588 20 30 CFEDMN Cc1cc(CN[C@H](C)C(=O)Nc2ccccc2)ccc1C#N ZINC000443991441 241103626 /nfs/dbraw/zinc/10/36/26/241103626.db2.gz UMHVMOPBOODZRJ-CQSZACIVSA-N 0 1 293.370 2.984 20 30 CFEDMN Cc1ccnc(N(C)Cc2cc(C(C)(C)C)[nH]n2)c1C#N ZINC000444866743 241198135 /nfs/dbraw/zinc/19/81/35/241198135.db2.gz BFGUYILMZFJEFO-UHFFFAOYSA-N 0 1 283.379 2.919 20 30 CFEDMN CN(CC#Cc1ccc(C(F)(F)F)cc1)C[C@@H](O)C1CC1 ZINC000674314577 541558483 /nfs/dbraw/zinc/55/84/83/541558483.db2.gz IFSNRCLWFQBKJJ-OAHLLOKOSA-N 0 1 297.320 2.760 20 30 CFEDMN CC(C)Cn1cc(CNCc2ccc(C#N)c(F)c2)cn1 ZINC000449734273 242125136 /nfs/dbraw/zinc/12/51/36/242125136.db2.gz AWKKUQBSVFFFQU-UHFFFAOYSA-N 0 1 286.354 2.840 20 30 CFEDMN C=C(C)CN(CC)C(=O)CN[C@@H](C)c1ccccc1OC ZINC000675553305 541666642 /nfs/dbraw/zinc/66/66/42/541666642.db2.gz GOTPYFJMSGHQKQ-AWEZNQCLSA-N 0 1 290.407 2.770 20 30 CFEDMN CC[C@H](CC#N)NCCC(=O)NCc1ccccc1Cl ZINC000574216916 335001786 /nfs/dbraw/zinc/00/17/86/335001786.db2.gz DQLSRLCNBKZVGU-CYBMUJFWSA-N 0 1 293.798 2.628 20 30 CFEDMN C=C(C)CN1CCC(NC(=O)CCC(C)(C)C(C)=O)CC1 ZINC000676526524 541763787 /nfs/dbraw/zinc/76/37/87/541763787.db2.gz CVWSFQKCHZGFMA-UHFFFAOYSA-N 0 1 294.439 2.539 20 30 CFEDMN C=CCCN(C)CC(=O)Nc1cc(Cl)ccc1C#N ZINC000276410417 193319439 /nfs/dbraw/zinc/31/94/39/193319439.db2.gz LNOYJZOHXVKFLE-UHFFFAOYSA-N 0 1 277.755 2.658 20 30 CFEDMN C=CCC[N@@H+](C)Cc1cc(=O)oc2cc([O-])ccc12 ZINC000276510179 193362202 /nfs/dbraw/zinc/36/22/02/193362202.db2.gz XLMZSBJNZWVCMU-UHFFFAOYSA-N 0 1 259.305 2.507 20 30 CFEDMN C=CCC[N@H+](C)Cc1cc(=O)oc2cc([O-])ccc12 ZINC000276510179 193362203 /nfs/dbraw/zinc/36/22/03/193362203.db2.gz XLMZSBJNZWVCMU-UHFFFAOYSA-N 0 1 259.305 2.507 20 30 CFEDMN CC(C)OC1CC(N2CCN(c3ccccc3C#N)CC2)C1 ZINC000459327028 245143091 /nfs/dbraw/zinc/14/30/91/245143091.db2.gz OBKFZOCXIKMVAC-UHFFFAOYSA-N 0 1 299.418 2.636 20 30 CFEDMN COc1ccc(CN2CC3(CCC3)[C@@H]3COC[C@@H]32)cc1C#N ZINC000459669853 245265980 /nfs/dbraw/zinc/26/59/80/245265980.db2.gz JMPYRNIVJSZEPJ-CVEARBPZSA-N 0 1 298.386 2.568 20 30 CFEDMN CN(CC(=O)Nc1sccc1C#N)C1CC(C)(C)C1 ZINC000459746808 245300934 /nfs/dbraw/zinc/30/09/34/245300934.db2.gz VHEXGEQQTHIQDO-UHFFFAOYSA-N 0 1 277.393 2.679 20 30 CFEDMN C[C@@H](CN(C)Cc1ccccc1C#N)C(=O)OC(C)(C)C ZINC000459782861 245325145 /nfs/dbraw/zinc/32/51/45/245325145.db2.gz YHDWNFMXBBBSRE-ZDUSSCGKSA-N 0 1 288.391 2.968 20 30 CFEDMN C[C@@H]1CCC[C@](C#N)(NC(=O)Cc2[nH]nc3ccccc32)C1 ZINC000116804884 376207354 /nfs/dbraw/zinc/20/73/54/376207354.db2.gz WBEXQMKWHMEZCB-PXAZEXFGSA-N 0 1 296.374 2.694 20 30 CFEDMN N#Cc1ccc(CN2CCN(c3cccc(O)c3)CC2)cc1 ZINC000019797712 372190643 /nfs/dbraw/zinc/19/06/43/372190643.db2.gz TZWNKKKROMXJNK-UHFFFAOYSA-N 0 1 293.370 2.586 20 30 CFEDMN C=CCN(CC=C)C(=O)c1ccc(O)c(Cl)c1 ZINC000019836631 372193774 /nfs/dbraw/zinc/19/37/74/372193774.db2.gz USBQCTLRTGDYRP-UHFFFAOYSA-N 0 1 251.713 2.860 20 30 CFEDMN N#C[C@H](C(=O)[C@H]1CC[C@@H]1c1ccc(F)cc1)c1ccncn1 ZINC000528988301 383684878 /nfs/dbraw/zinc/68/48/78/383684878.db2.gz VCKKJKRRABJEND-ILXRZTDVSA-N 0 1 295.317 2.986 20 30 CFEDMN CC(C)=CC(=O)N1CCCN(Cc2ccc(C#N)cc2)CC1 ZINC000042035185 372869774 /nfs/dbraw/zinc/86/97/74/372869774.db2.gz DVGAHQYXVMBTIJ-UHFFFAOYSA-N 0 1 297.402 2.559 20 30 CFEDMN C=CCNC(=O)[C@H](C)N[C@@H](C)c1ccc(Cl)cc1 ZINC000042220689 372888912 /nfs/dbraw/zinc/88/89/12/372888912.db2.gz ZCARHUZUYGHHID-QWRGUYRKSA-N 0 1 266.772 2.681 20 30 CFEDMN C[C@@H]1CN(CCCOc2cccc(C#N)c2)CC(C)(C)O1 ZINC000045691102 373029977 /nfs/dbraw/zinc/02/99/77/373029977.db2.gz KEXPKPBJGGASKZ-CQSZACIVSA-N 0 1 288.391 2.826 20 30 CFEDMN C=C(C)CN(CC)C(=O)[C@H](C)N1CCSC(C)(C)C1 ZINC000177520917 261359678 /nfs/dbraw/zinc/35/96/78/261359678.db2.gz UEXRTYRJZSUGAE-ZDUSSCGKSA-N 0 1 284.469 2.627 20 30 CFEDMN C=C(C)CN(C)Cc1cnn(Cc2ccccc2)c1 ZINC000053422162 373475402 /nfs/dbraw/zinc/47/54/02/373475402.db2.gz FLJIXIOTJGRLGE-UHFFFAOYSA-N 0 1 255.365 2.939 20 30 CFEDMN CCN(CCCOc1ccc([N+](=O)[O-])cc1)C[C@H](C)C#N ZINC000064248887 373821681 /nfs/dbraw/zinc/82/16/81/373821681.db2.gz RTZFMTCIJCFXST-CYBMUJFWSA-N 0 1 291.351 2.845 20 30 CFEDMN COc1cccc(CN(CCCC#N)C[C@@H]2CCCO2)c1 ZINC000064400326 373823220 /nfs/dbraw/zinc/82/32/20/373823220.db2.gz NLXQBGDYFVZFRO-KRWDZBQOSA-N 0 1 288.391 2.980 20 30 CFEDMN C=CCCCCNCc1ncc(C2OCCO2)s1 ZINC000289516465 197385838 /nfs/dbraw/zinc/38/58/38/197385838.db2.gz DMBMZQDKDUXOHV-UHFFFAOYSA-N 0 1 268.382 2.634 20 30 CFEDMN COc1cccc(CN[C@H](C)c2ccc(C#N)cc2)n1 ZINC000070093321 374125867 /nfs/dbraw/zinc/12/58/67/374125867.db2.gz NOFHNTZCWJAVKI-GFCCVEGCSA-N 0 1 267.332 2.813 20 30 CFEDMN C=CCN(CC(=O)Nc1cc(C)no1)CC1CCCCC1 ZINC000069860092 374104909 /nfs/dbraw/zinc/10/49/09/374104909.db2.gz PJEXUEAQNIURKR-UHFFFAOYSA-N 0 1 291.395 2.990 20 30 CFEDMN CCN(CCC(=O)Nc1cccc(OC)c1)C[C@@H](C)C#N ZINC000072580321 374266600 /nfs/dbraw/zinc/26/66/00/374266600.db2.gz NFPUZJDSFKPWJL-ZDUSSCGKSA-N 0 1 289.379 2.505 20 30 CFEDMN N#C[C@@H](C(=O)c1ccn(-c2ccccc2)n1)c1ccccn1 ZINC000073969770 374397770 /nfs/dbraw/zinc/39/77/70/374397770.db2.gz SOUCDYKNPUMFKC-CQSZACIVSA-N 0 1 288.310 2.757 20 30 CFEDMN N#CC(C(=O)c1ccn(-c2ccccc2)n1)c1ccccn1 ZINC000073969770 374397777 /nfs/dbraw/zinc/39/77/77/374397777.db2.gz SOUCDYKNPUMFKC-CQSZACIVSA-N 0 1 288.310 2.757 20 30 CFEDMN C=CCOc1ccc(CN2CCCOC[C@H]2C)cc1OC ZINC000678272682 541993544 /nfs/dbraw/zinc/99/35/44/541993544.db2.gz HFVHCRVBBJHRTB-CQSZACIVSA-N 0 1 291.391 2.871 20 30 CFEDMN C[C@H]1CN(Cc2ccccc2)CCN1Cc1ccc(C#N)o1 ZINC000093325017 375211777 /nfs/dbraw/zinc/21/17/77/375211777.db2.gz SIHFGOZTTRKXRI-HNNXBMFYSA-N 0 1 295.386 2.858 20 30 CFEDMN Cn1cc(CNCc2cccc(C#N)c2)c(C(C)(C)C)n1 ZINC000093947528 375333452 /nfs/dbraw/zinc/33/34/52/375333452.db2.gz QOPTUWQETXNKKI-UHFFFAOYSA-N 0 1 282.391 2.879 20 30 CFEDMN C=C(C)CN(CC)[C@H](C)C(=O)Nc1ccc(Cl)cn1 ZINC000102681320 375688057 /nfs/dbraw/zinc/68/80/57/375688057.db2.gz QQDMRHRXVWWHMU-LLVKDONJSA-N 0 1 281.787 2.960 20 30 CFEDMN C=CCN(C(=O)c1ccc(CN(CC)CC)o1)C1CC1 ZINC000678499977 542035821 /nfs/dbraw/zinc/03/58/21/542035821.db2.gz YVEQLXHEWYNUIP-UHFFFAOYSA-N 0 1 276.380 2.912 20 30 CFEDMN COCC#CCNC1(c2ccc(Br)cc2)CC1 ZINC000678755031 542064937 /nfs/dbraw/zinc/06/49/37/542064937.db2.gz SJAUPKHIUAUWBK-UHFFFAOYSA-N 0 1 294.192 2.678 20 30 CFEDMN CC[C@@H](NCC#CCOC)c1ccc(F)cc1F ZINC000678783699 542069612 /nfs/dbraw/zinc/06/96/12/542069612.db2.gz PZHGAIMEUYNYME-CQSZACIVSA-N 0 1 253.292 2.655 20 30 CFEDMN CCCO[C@@H]1CCCN(C[C@H](C#N)CCC#N)CC1 ZINC000112560481 375933031 /nfs/dbraw/zinc/93/30/31/375933031.db2.gz XIBFBBQUFNDISF-LSDHHAIUSA-N 0 1 263.385 2.711 20 30 CFEDMN COC[C@H]1CCCN(Cc2cn3ccccc3c2C#N)C1 ZINC000112990288 375983598 /nfs/dbraw/zinc/98/35/98/375983598.db2.gz PLZZTSKNKPNUAO-AWEZNQCLSA-N 0 1 283.375 2.669 20 30 CFEDMN C[C@H](C(=O)Nc1ccc(F)c(C#N)c1)N1CCCCCC1 ZINC000114264287 376055901 /nfs/dbraw/zinc/05/59/01/376055901.db2.gz NKDSOBIXTDQBRM-GFCCVEGCSA-N 0 1 289.354 2.900 20 30 CFEDMN CN(CCC1CCCCC1)[C@H](C(N)=O)c1ccc(C#N)cc1 ZINC000115540231 376136940 /nfs/dbraw/zinc/13/69/40/376136940.db2.gz CCMSEZHGLYPOJK-KRWDZBQOSA-N 0 1 299.418 2.987 20 30 CFEDMN C=CC[N@H+](Cc1cccc([N+](=O)[O-])c1)C[C@@H]1CCCO1 ZINC000119649334 376446837 /nfs/dbraw/zinc/44/68/37/376446837.db2.gz UXMBFFGZPFZJRN-HNNXBMFYSA-N 0 1 276.336 2.762 20 30 CFEDMN C=CCN(Cc1cccc([N+](=O)[O-])c1)C[C@@H]1CCCO1 ZINC000119649334 376446839 /nfs/dbraw/zinc/44/68/39/376446839.db2.gz UXMBFFGZPFZJRN-HNNXBMFYSA-N 0 1 276.336 2.762 20 30 CFEDMN C=CCCC[N@@H+]1CC[C@](C(=O)[O-])(c2ccccc2)C1 ZINC000574645184 335036896 /nfs/dbraw/zinc/03/68/96/335036896.db2.gz TZKZOQQQVRYNRQ-MRXNPFEDSA-N 0 1 259.349 2.681 20 30 CFEDMN N#Cc1csc(CNc2ccc3nn[nH]c3c2)c1 ZINC000120458519 376620159 /nfs/dbraw/zinc/62/01/59/376620159.db2.gz OVKXHZKAMUKYOL-UHFFFAOYSA-N 0 1 255.306 2.503 20 30 CFEDMN N#Cc1csc(CNc2ccc3n[nH]nc3c2)c1 ZINC000120458519 376620170 /nfs/dbraw/zinc/62/01/70/376620170.db2.gz OVKXHZKAMUKYOL-UHFFFAOYSA-N 0 1 255.306 2.503 20 30 CFEDMN C=C(C)CONC(=O)[C@@H]1Cc2c1cccc2Cl ZINC000529511246 383714843 /nfs/dbraw/zinc/71/48/43/383714843.db2.gz HOJISANEVCLOMZ-LLVKDONJSA-N 0 1 251.713 2.604 20 30 CFEDMN OC1C[C@H]2CC[C@@H](C1)N2CC#Cc1cccc(Cl)c1 ZINC000121411403 376824537 /nfs/dbraw/zinc/82/45/37/376824537.db2.gz HRJWWLLRCWAATK-XYPWUTKMSA-N 0 1 275.779 2.679 20 30 CFEDMN C=CCN(C)[C@H](C)C(=O)NC12CC3CC(CC(C3)C1)C2 ZINC000121420553 376827715 /nfs/dbraw/zinc/82/77/15/376827715.db2.gz YFRZJCQGPHZIEE-JISDDCRVSA-N 0 1 276.424 2.578 20 30 CFEDMN CCCCn1ncc(C(=O)[C@@H](C#N)c2ccccn2)c1C ZINC000121946207 376919646 /nfs/dbraw/zinc/91/96/46/376919646.db2.gz QQZJJOXAVVLVID-ZDUSSCGKSA-N 0 1 282.347 2.877 20 30 CFEDMN C[C@@H]1CCC[C@@H](C)[N@@H+](CC(=O)NC2(C#N)CCCCC2)C1 ZINC000125261168 377133613 /nfs/dbraw/zinc/13/36/13/377133613.db2.gz QUDQFHMGDCITSC-HUUCEWRRSA-N 0 1 291.439 2.840 20 30 CFEDMN C=CCCS(=O)(=O)Nc1c(C)noc1-c1ccccc1 ZINC000126572860 377235704 /nfs/dbraw/zinc/23/57/04/377235704.db2.gz GGWBRJIIQCYKLS-UHFFFAOYSA-N 0 1 292.360 2.968 20 30 CFEDMN CCC#C[C@H](C)N1CCC[C@@H](c2ccnc(C)n2)C1 ZINC000679312653 542161913 /nfs/dbraw/zinc/16/19/13/542161913.db2.gz ZZIDZDWSBVOHOP-DZGCQCFKSA-N 0 1 257.381 2.766 20 30 CFEDMN CCc1nnc(SCc2cc(F)ccc2C#N)[nH]1 ZINC000130432991 377556390 /nfs/dbraw/zinc/55/63/90/377556390.db2.gz VZAWTNZRNXXSGJ-UHFFFAOYSA-N 0 1 262.313 2.670 20 30 CFEDMN CCc1n[nH]c(SCc2cc(F)ccc2C#N)n1 ZINC000130432991 377556397 /nfs/dbraw/zinc/55/63/97/377556397.db2.gz VZAWTNZRNXXSGJ-UHFFFAOYSA-N 0 1 262.313 2.670 20 30 CFEDMN C=CCOCCNCc1ccc(OC)cc1Cl ZINC000679485581 542196645 /nfs/dbraw/zinc/19/66/45/542196645.db2.gz ITDZQAYNMQNNQP-UHFFFAOYSA-N 0 1 255.745 2.641 20 30 CFEDMN C#CCN[C@@H](C)c1ccc(Br)cc1F ZINC000131881233 377772050 /nfs/dbraw/zinc/77/20/50/377772050.db2.gz WQYCYBWDUIQMJV-QMMMGPOBSA-N 0 1 256.118 2.872 20 30 CFEDMN Cc1cc(CON=C(N)C(C)C)c2ccccc2n1 ZINC000133672024 377949010 /nfs/dbraw/zinc/94/90/10/377949010.db2.gz ZHDQYSSMMFFUQF-UHFFFAOYSA-N 0 1 257.337 2.988 20 30 CFEDMN C[C@H](NC(=O)[C@H]1CCCc2[nH]ncc21)c1ccc(C#N)cc1 ZINC000134427335 378013752 /nfs/dbraw/zinc/01/37/52/378013752.db2.gz ICGOAQYEPVNQQL-FZMZJTMJSA-N 0 1 294.358 2.579 20 30 CFEDMN CC(C)(C)c1ccc(-c2n[nH]c(NC(=O)CC#N)n2)cc1 ZINC000133907648 377967775 /nfs/dbraw/zinc/96/77/75/377967775.db2.gz QTSFRQRWDIQSAW-UHFFFAOYSA-N 0 1 283.335 2.621 20 30 CFEDMN C=CCOc1ccc(CN(CC(=O)NC)C(C)(C)C)cc1 ZINC000134853182 378054822 /nfs/dbraw/zinc/05/48/22/378054822.db2.gz QGKFVYLQWDOMLU-UHFFFAOYSA-N 0 1 290.407 2.598 20 30 CFEDMN CC[C@@H](NCc1ccnn1C)c1ccc(C#N)cc1 ZINC000278279348 193896109 /nfs/dbraw/zinc/89/61/09/193896109.db2.gz PXAGCWFDLUMSDL-OAHLLOKOSA-N 0 1 254.337 2.533 20 30 CFEDMN N#CCCCN1CCC[C@@H](Oc2ccc(Cl)cn2)C1 ZINC000135335457 378118913 /nfs/dbraw/zinc/11/89/13/378118913.db2.gz PTVCGBFIMISAIL-CYBMUJFWSA-N 0 1 279.771 2.882 20 30 CFEDMN COc1ccc(CN2CCC(n3ccnc3)CC2)cc1C#N ZINC000135131906 378088003 /nfs/dbraw/zinc/08/80/03/378088003.db2.gz CJIFRZLWMVVSPS-UHFFFAOYSA-N 0 1 296.374 2.600 20 30 CFEDMN COCc1cccc(CNCc2ccc(C#N)o2)c1 ZINC000135149947 378091494 /nfs/dbraw/zinc/09/14/94/378091494.db2.gz RTLZUKJFJAVBRV-UHFFFAOYSA-N 0 1 256.305 2.587 20 30 CFEDMN C[C@@H](C#N)Sc1nc(-c2cc(F)cc(F)c2)n[nH]1 ZINC000151121914 378298027 /nfs/dbraw/zinc/29/80/27/378298027.db2.gz JZPKNSFEDABPDD-LURJTMIESA-N 0 1 266.276 2.754 20 30 CFEDMN CCc1nc([C@H](C)NC(=O)[C@@H]2CCCSC2)n[nH]1 ZINC000329591856 378466269 /nfs/dbraw/zinc/46/62/69/378466269.db2.gz UEMDXEDIIWCWSR-DTWKUNHWSA-N 0 1 268.386 2.528 20 30 CFEDMN CCc1nc([C@H](C)NC(=O)N[C@H]2CC[C@H](C)CC2)n[nH]1 ZINC000328915929 378439285 /nfs/dbraw/zinc/43/92/85/378439285.db2.gz KAFKEERDVNMFON-DCAQKATOSA-N 0 1 279.388 2.510 20 30 CFEDMN CC[C@@H]1CCCC[C@@H]1NC(=O)[C@@H]1CCc2[nH]nnc2C1 ZINC000328919382 378439325 /nfs/dbraw/zinc/43/93/25/378439325.db2.gz BPRSZGXSUSSYKG-UTUOFQBUSA-N 0 1 276.384 2.835 20 30 CFEDMN CC[C@@H]1CCCC[C@@H]1NC(=O)[C@@H]1CCc2nn[nH]c2C1 ZINC000328919382 378439333 /nfs/dbraw/zinc/43/93/33/378439333.db2.gz BPRSZGXSUSSYKG-UTUOFQBUSA-N 0 1 276.384 2.835 20 30 CFEDMN CC(C)[C@H](C)N(C(=O)N[C@H]1CCc2nc[nH]c2C1)C1CC1 ZINC000329731596 378487286 /nfs/dbraw/zinc/48/72/86/378487286.db2.gz IIGXQXJGQWZJNS-RYUDHWBXSA-N 0 1 290.411 2.690 20 30 CFEDMN CCC[C@@H]1CCCCN1C(=O)N[C@@H]1CCc2nc[nH]c2C1 ZINC000329737290 378489981 /nfs/dbraw/zinc/48/99/81/378489981.db2.gz MAMLCFMQKCVRQN-CHWSQXEVSA-N 0 1 290.411 2.836 20 30 CFEDMN C[C@@H]1CCN(C(=O)N[C@@H]2CCc3nc[nH]c3C2)CC1(C)C ZINC000329754512 378492609 /nfs/dbraw/zinc/49/26/09/378492609.db2.gz XJBNYACXSZTDKQ-VXGBXAGGSA-N 0 1 290.411 2.549 20 30 CFEDMN O=C(N[C@@H]1CCCC(F)(F)C1)N1CC[C@H](n2cccn2)C1 ZINC000329799657 378498173 /nfs/dbraw/zinc/49/81/73/378498173.db2.gz IGPGODSKSXZUJN-NEPJUHHUSA-N 0 1 298.337 2.622 20 30 CFEDMN N#Cc1cccc(-c2nnc(C[N@H+]3C[C@@H]4CCC[C@@H]4C3)o2)c1 ZINC000329811343 378499572 /nfs/dbraw/zinc/49/95/72/378499572.db2.gz MSDSXOFYQXBXGL-GASCZTMLSA-N 0 1 294.358 2.840 20 30 CFEDMN O=C(NCC1(C(F)F)CC1)N1CCC(c2cnc[nH]2)CC1 ZINC000329958111 378516676 /nfs/dbraw/zinc/51/66/76/378516676.db2.gz QLPCYXDAFFPMLP-UHFFFAOYSA-N 0 1 298.337 2.548 20 30 CFEDMN CCN1CCC[C@H](NC(=O)c2c(C)noc2C(C)C)C1 ZINC000330392592 378543113 /nfs/dbraw/zinc/54/31/13/378543113.db2.gz JDUXEHKNYWBUED-LBPRGKRZSA-N 0 1 279.384 2.895 20 30 CFEDMN C=CCN(C)C(=O)c1c(O)cc(Cl)cc1Cl ZINC000154162689 378544394 /nfs/dbraw/zinc/54/43/94/378544394.db2.gz VCMBAZKERYZDHH-UHFFFAOYSA-N 0 1 260.120 2.957 20 30 CFEDMN C=CCOc1ccc(CN2CCN(C)CC2)cc1Cl ZINC000154406310 378564474 /nfs/dbraw/zinc/56/44/74/378564474.db2.gz RKDTVFFAHWWMQC-UHFFFAOYSA-N 0 1 280.799 2.652 20 30 CFEDMN Cc1n[nH]c(C(C)C)c1C(=O)N[C@H](C)c1ccon1 ZINC000330639942 378593036 /nfs/dbraw/zinc/59/30/36/378593036.db2.gz CIKQIAVSWNMSHQ-MRVPVSSYSA-N 0 1 262.313 2.895 20 30 CFEDMN CC#CCN1CCC[C@@H]1c1cc(OC)ccc1OC ZINC000157451394 378653751 /nfs/dbraw/zinc/65/37/51/378653751.db2.gz RBKJWDWILMHROU-OAHLLOKOSA-N 0 1 259.349 2.864 20 30 CFEDMN C#Cc1cccc(NC(=O)c2cccc(-c3nnc[nH]3)c2)c1 ZINC000158300885 378666557 /nfs/dbraw/zinc/66/65/57/378666557.db2.gz VNPOQNQPJCJVSJ-UHFFFAOYSA-N 0 1 288.310 2.705 20 30 CFEDMN C[C@@H]1CCN(Cc2nnc(-c3cccc(C#N)c3)o2)[C@H]1C ZINC000332185906 378734007 /nfs/dbraw/zinc/73/40/07/378734007.db2.gz WTXKCOKDKNGIRT-NEPJUHHUSA-N 0 1 282.347 2.839 20 30 CFEDMN C=C[C@@H](C)NC(=O)c1cc(Br)cc2nc[nH]c21 ZINC000334182788 378902038 /nfs/dbraw/zinc/90/20/38/378902038.db2.gz FIBSMWORFRUJEE-SSDOTTSWSA-N 0 1 294.152 2.630 20 30 CFEDMN C=CCCCCCN(C)C(=O)CN(C)[C@H]1CCSC1 ZINC000163192531 378958771 /nfs/dbraw/zinc/95/87/71/378958771.db2.gz NTCNXVXXUZCADD-AWEZNQCLSA-N 0 1 284.469 2.629 20 30 CFEDMN N#CC(C(=O)c1csc([C@H]2CCCO2)n1)c1ccccn1 ZINC000165463756 379040101 /nfs/dbraw/zinc/04/01/01/379040101.db2.gz YXTMCGWDOUXLBY-GXFFZTMASA-N 0 1 299.355 2.880 20 30 CFEDMN N#C[C@H](C(=O)c1csc([C@H]2CCCO2)n1)c1ccccn1 ZINC000165463756 379040102 /nfs/dbraw/zinc/04/01/02/379040102.db2.gz YXTMCGWDOUXLBY-GXFFZTMASA-N 0 1 299.355 2.880 20 30 CFEDMN N#C[C@H]1CC[C@@H](NCc2cc(F)c(F)cc2F)C1 ZINC000335285836 379027876 /nfs/dbraw/zinc/02/78/76/379027876.db2.gz IXKZFHIQTQTNCE-WCBMZHEXSA-N 0 1 254.255 2.886 20 30 CFEDMN CC1(C)CCN(Cc2cnc3ccc(C#N)cn23)CC1 ZINC000334321232 379089320 /nfs/dbraw/zinc/08/93/20/379089320.db2.gz WSJOUCAXOVZXJF-UHFFFAOYSA-N 0 1 268.364 2.828 20 30 CFEDMN N#Cc1ccc(NCCCCN2CCOCC2)cc1Cl ZINC000264391022 383734200 /nfs/dbraw/zinc/73/42/00/383734200.db2.gz HUJOJBKFRLXSAO-UHFFFAOYSA-N 0 1 293.798 2.736 20 30 CFEDMN N#Cc1cc(F)ccc1CN1CC[C@@H](C2CCOCC2)C1 ZINC000334392247 379215355 /nfs/dbraw/zinc/21/53/55/379215355.db2.gz XFTYKRDBMYHRNL-OAHLLOKOSA-N 0 1 288.366 2.946 20 30 CFEDMN C[C@H]1C[N@@H+](Cc2ccc(C#N)cc2)CC2(CCC2)O1 ZINC000335455025 379323328 /nfs/dbraw/zinc/32/33/28/379323328.db2.gz MCKKLGBBRSTANM-ZDUSSCGKSA-N 0 1 256.349 2.702 20 30 CFEDMN C[C@H]1CN(Cc2ccc(C#N)cc2)CC2(CCC2)O1 ZINC000335455025 379323338 /nfs/dbraw/zinc/32/33/38/379323338.db2.gz MCKKLGBBRSTANM-ZDUSSCGKSA-N 0 1 256.349 2.702 20 30 CFEDMN N#Cc1ccc(CN2CCCSCC2)cc1F ZINC000334441471 379307291 /nfs/dbraw/zinc/30/72/91/379307291.db2.gz LFTIESRNPNTCQA-UHFFFAOYSA-N 0 1 250.342 2.636 20 30 CFEDMN Cn1nccc1[C@@H]1CCCN(Cc2cc(C#N)ccc2F)C1 ZINC000334472020 379357539 /nfs/dbraw/zinc/35/75/39/379357539.db2.gz HLXAZPXVEAZZBY-CQSZACIVSA-N 0 1 298.365 2.810 20 30 CFEDMN CC(C)n1cc(C#N)c(=NC(=O)[C@H]2CCCCC2(F)F)[nH]1 ZINC000334514563 379432580 /nfs/dbraw/zinc/43/25/80/379432580.db2.gz ZRJKSOIKQLONOS-LLVKDONJSA-N 0 1 296.321 2.522 20 30 CFEDMN Cc1cc(NC(=O)CCN(CCC#N)CC(C)(C)C)no1 ZINC000171939054 379442729 /nfs/dbraw/zinc/44/27/29/379442729.db2.gz FDTHXBABBFULOX-UHFFFAOYSA-N 0 1 292.383 2.573 20 30 CFEDMN C=CC1CCN(CCCS(=O)(=O)c2ccccc2)CC1 ZINC000171953785 379450385 /nfs/dbraw/zinc/45/03/85/379450385.db2.gz LMFIJLIALNVMBD-UHFFFAOYSA-N 0 1 293.432 2.748 20 30 CFEDMN N#C[C@H]1CC[C@@H](NCc2cccc(O)c2Cl)C1 ZINC000335562774 379517432 /nfs/dbraw/zinc/51/74/32/379517432.db2.gz VICUHWDIRYZVOL-GXSJLCMTSA-N 0 1 250.729 2.827 20 30 CFEDMN N#C[C@H]1CC[C@@H]([NH2+]Cc2cccc([O-])c2Cl)C1 ZINC000335562774 379517440 /nfs/dbraw/zinc/51/74/40/379517440.db2.gz VICUHWDIRYZVOL-GXSJLCMTSA-N 0 1 250.729 2.827 20 30 CFEDMN CC(=O)N1CC[N@@H+](CCC2(C#N)CCCCC2)C(C)(C)C1 ZINC000334555154 379518525 /nfs/dbraw/zinc/51/85/25/379518525.db2.gz BNHFIXNZJATDAF-UHFFFAOYSA-N 0 1 291.439 2.793 20 30 CFEDMN CC(=O)N1CCN(CCC2(C#N)CCCCC2)C(C)(C)C1 ZINC000334555154 379518531 /nfs/dbraw/zinc/51/85/31/379518531.db2.gz BNHFIXNZJATDAF-UHFFFAOYSA-N 0 1 291.439 2.793 20 30 CFEDMN CC#CCN1CC[C@H](C(F)(F)F)C2(CCOCC2)C1 ZINC000334636701 379677040 /nfs/dbraw/zinc/67/70/40/379677040.db2.gz FFKWMNKUXSOWOX-LBPRGKRZSA-N 0 1 275.314 2.691 20 30 CFEDMN C[C@H]1CC[C@@H]([N@@H+](C)Cc2cnc3ccc(C#N)cn23)C1 ZINC000335715748 379773959 /nfs/dbraw/zinc/77/39/59/379773959.db2.gz SBKPJUTTXNEBNQ-GXTWGEPZSA-N 0 1 268.364 2.826 20 30 CFEDMN CC1(C)CN(Cc2ccc(C#N)cc2F)[C@@H]2COC[C@@H]21 ZINC000334744978 379868643 /nfs/dbraw/zinc/86/86/43/379868643.db2.gz BRJCYZQGJOCZCP-DZGCQCFKSA-N 0 1 274.339 2.554 20 30 CFEDMN Cc1cccn2c(CNCc3cccc(C#N)c3)cnc12 ZINC000174263692 379854190 /nfs/dbraw/zinc/85/41/90/379854190.db2.gz HYXJHEUFVOSCBA-UHFFFAOYSA-N 0 1 276.343 2.804 20 30 CFEDMN COC1(C)CCN(Cc2ccc(C#N)c(F)c2)CC1 ZINC000335807902 379922462 /nfs/dbraw/zinc/92/24/62/379922462.db2.gz LLALQZQKFUCQTG-UHFFFAOYSA-N 0 1 262.328 2.698 20 30 CFEDMN N#Cc1cc(F)ccc1CN1CC[C@@H]([C@@H]2CCOC2)C1 ZINC000335856391 380002426 /nfs/dbraw/zinc/00/24/26/380002426.db2.gz QZJIENFJXDYLGA-ZIAGYGMSSA-N 0 1 274.339 2.556 20 30 CFEDMN N#Cc1cc(F)ccc1CN[C@H]1Cc2cccc(O)c2C1 ZINC000335877318 380038030 /nfs/dbraw/zinc/03/80/30/380038030.db2.gz VLESYCSSPHOFDS-HNNXBMFYSA-N 0 1 282.318 2.660 20 30 CFEDMN CC[N@H+]1CC[C@H](N(C)C(=O)c2cc(C#N)cs2)C[C@@H]1C ZINC000335884319 380049042 /nfs/dbraw/zinc/04/90/42/380049042.db2.gz PTKNSIOKIBWINM-AAEUAGOBSA-N 0 1 291.420 2.565 20 30 CFEDMN CC(C)[C@@H]1CN(Cc2cccc(C#N)c2F)CCCO1 ZINC000335979461 380188743 /nfs/dbraw/zinc/18/87/43/380188743.db2.gz HIMQMMAKYCOHIY-HNNXBMFYSA-N 0 1 276.355 2.944 20 30 CFEDMN N#Cc1csc(CN[C@@H]2CCCC(F)(F)C2)n1 ZINC000336007006 380227423 /nfs/dbraw/zinc/22/74/23/380227423.db2.gz COEJGZAJQOJSBU-MRVPVSSYSA-N 0 1 257.309 2.682 20 30 CFEDMN CC(=O)Nc1cccc(CNCc2cc(C#N)cs2)c1 ZINC000177685150 380367436 /nfs/dbraw/zinc/36/74/36/380367436.db2.gz KKARTDNMKPZBGM-UHFFFAOYSA-N 0 1 285.372 2.868 20 30 CFEDMN C=CCCC[C@@H](C)NC(=O)Cc1[nH]nc2ccccc21 ZINC000179797661 380582386 /nfs/dbraw/zinc/58/23/86/380582386.db2.gz KCPLDOCPKONHMK-GFCCVEGCSA-N 0 1 271.364 2.966 20 30 CFEDMN C=CCC(C)(C)CNC(=O)N1C[C@@H](C)N(CC)C[C@@H]1C ZINC000432577241 383749241 /nfs/dbraw/zinc/74/92/41/383749241.db2.gz YHVVHVNRJPBBQM-KGLIPLIRSA-N 0 1 281.444 2.713 20 30 CFEDMN C=CCCC[C@H](C)NC(=O)N1CCN(C)C[C@H]1C(C)C ZINC000181097002 380738843 /nfs/dbraw/zinc/73/88/43/380738843.db2.gz XSDUPKWFNGZLIH-GJZGRUSLSA-N 0 1 281.444 2.713 20 30 CFEDMN N#CCCSc1nc(-c2ccc3c(c2)CCC3)n[nH]1 ZINC000181156760 380749210 /nfs/dbraw/zinc/74/92/10/380749210.db2.gz KYGRCGUXMWICFP-UHFFFAOYSA-N 0 1 270.361 2.966 20 30 CFEDMN CCc1nc(CSc2nc(C)cc(C)c2C#N)n[nH]1 ZINC000181710169 380872337 /nfs/dbraw/zinc/87/23/37/380872337.db2.gz HELUDPMPWZCWSZ-UHFFFAOYSA-N 0 1 273.365 2.543 20 30 CFEDMN C=CCN(CC=C)C(=O)[C@H](C)N[C@@H](C)c1cccc(O)c1 ZINC000181564892 380829551 /nfs/dbraw/zinc/82/95/51/380829551.db2.gz HBBOLGPTBRPYRV-KBPBESRZSA-N 0 1 288.391 2.632 20 30 CFEDMN Cc1cc(C#N)cc(N[C@@H]2CN(C)Cc3ccccc32)n1 ZINC000367826638 380840905 /nfs/dbraw/zinc/84/09/05/380840905.db2.gz OYAPTLLZWCNDHF-MRXNPFEDSA-N 0 1 278.359 2.860 20 30 CFEDMN C=C(CC)CN(C)Cc1ccc([S@@](C)=O)cc1 ZINC000358495930 380882048 /nfs/dbraw/zinc/88/20/48/380882048.db2.gz IIGLKFIMHWYZAS-QGZVFWFLSA-N 0 1 251.395 2.822 20 30 CFEDMN CC[C@H](C)NC(=O)CCN[C@H](C)c1ccc(C#N)cc1F ZINC000358558773 380925325 /nfs/dbraw/zinc/92/53/25/380925325.db2.gz DDESQZATWXUAGU-NWDGAFQWSA-N 0 1 291.370 2.653 20 30 CFEDMN Cc1ccc(CN(CC#Cc2ccc(F)cc2)CCO)cc1 ZINC000181986088 380956635 /nfs/dbraw/zinc/95/66/35/380956635.db2.gz OTVWWKFAKFYAJH-UHFFFAOYSA-N 0 1 297.373 2.980 20 30 CFEDMN C=C(CC)CN(C)Cc1cn(C)nc1C(F)(F)F ZINC000358614334 380970441 /nfs/dbraw/zinc/97/04/41/380970441.db2.gz AZRQNPZDAICKDT-UHFFFAOYSA-N 0 1 261.291 2.837 20 30 CFEDMN CCc1nc([C@@H](C)N[C@@H](C)c2ccc(C#N)cc2F)n[nH]1 ZINC000358571146 380940099 /nfs/dbraw/zinc/94/00/99/380940099.db2.gz OFQIKVJLXGPSGU-VHSXEESVSA-N 0 1 287.342 2.790 20 30 CFEDMN CCc1nc([C@@H](C)N[C@H](C)c2ccc(C#N)cc2F)n[nH]1 ZINC000358571144 380940287 /nfs/dbraw/zinc/94/02/87/380940287.db2.gz OFQIKVJLXGPSGU-NXEZZACHSA-N 0 1 287.342 2.790 20 30 CFEDMN C[C@@H]1CN(C(=O)C[C@H](CC#N)c2ccccc2)C[C@H](C)N1C ZINC000358681505 381011335 /nfs/dbraw/zinc/01/13/35/381011335.db2.gz IFAVOFMINDZSBW-UXLLHSPISA-N 0 1 299.418 2.625 20 30 CFEDMN C=C(C)CN(CC)Cc1csc(C(=O)OC)c1 ZINC000411159479 381012138 /nfs/dbraw/zinc/01/21/38/381012138.db2.gz VPRNOXGLJYYIEN-UHFFFAOYSA-N 0 1 253.367 2.933 20 30 CFEDMN CC1(C)COCCN1CCC1(C#N)CCCCC1 ZINC000411189268 381014917 /nfs/dbraw/zinc/01/49/17/381014917.db2.gz WHNCLLXQZYEKSI-UHFFFAOYSA-N 0 1 250.386 2.961 20 30 CFEDMN CCCN(C[C@H](C#N)CCC#N)C[C@@H]1CCCCO1 ZINC000411370955 381023952 /nfs/dbraw/zinc/02/39/52/381023952.db2.gz WDJWAYNVYDSMTK-GJZGRUSLSA-N 0 1 263.385 2.711 20 30 CFEDMN CC(=O)N1CCN([C@H](C)CCC#N)CC12CCCCC2 ZINC000411419653 381026603 /nfs/dbraw/zinc/02/66/03/381026603.db2.gz HFOLJAWLRSZRRK-CQSZACIVSA-N 0 1 277.412 2.546 20 30 CFEDMN CCOC(=O)[C@H]1CN([C@@H](C)CCC#N)Cc2ccccc21 ZINC000411396672 381027326 /nfs/dbraw/zinc/02/73/26/381027326.db2.gz GDSCBRLXYCQZHN-BBRMVZONSA-N 0 1 286.375 2.841 20 30 CFEDMN C[C@H]1CCN(CC(=O)Nc2ccc(C#N)cc2)CC1(C)C ZINC000354025056 381028982 /nfs/dbraw/zinc/02/89/82/381028982.db2.gz YDWNMQCMHCULDH-ZDUSSCGKSA-N 0 1 285.391 2.865 20 30 CFEDMN C=CCCCCCCNC(=O)N[C@H](C)c1n[nH]c(C)n1 ZINC000288007252 380991032 /nfs/dbraw/zinc/99/10/32/380991032.db2.gz LSKXMQXPBIGEFF-LLVKDONJSA-N 0 1 279.388 2.610 20 30 CFEDMN C[C@H]1C[C@H](Nc2nc(Cl)c(C#N)s2)CN1C1CC1 ZINC000288056863 381000818 /nfs/dbraw/zinc/00/08/18/381000818.db2.gz YAXSCEGJUAQNII-YUMQZZPRSA-N 0 1 282.800 2.705 20 30 CFEDMN COc1cc(C#N)ccc1C[N@H+]1CC[C@]2(C1)CCCOC2 ZINC000368498392 381046529 /nfs/dbraw/zinc/04/65/29/381046529.db2.gz HKCDWTBYSGGWFN-KRWDZBQOSA-N 0 1 286.375 2.569 20 30 CFEDMN CO[C@H]1CCN(Cc2ccc(F)c(C#N)c2)CC1(C)C ZINC000295835987 381105663 /nfs/dbraw/zinc/10/56/63/381105663.db2.gz CXWFJXBRKMFZEK-HNNXBMFYSA-N 0 1 276.355 2.944 20 30 CFEDMN C=C(Cl)CNCc1ccc(COCCOC)cc1 ZINC000289729301 381123448 /nfs/dbraw/zinc/12/34/48/381123448.db2.gz MMVJWQUEGWHSNG-UHFFFAOYSA-N 0 1 269.772 2.692 20 30 CFEDMN COc1cc(CNCc2occc2C)ccc1C#N ZINC000289763269 381142698 /nfs/dbraw/zinc/14/26/98/381142698.db2.gz JDBADDUXDNWNRD-UHFFFAOYSA-N 0 1 256.305 2.758 20 30 CFEDMN CC(C)N1CCN(C(=O)C[C@H](CC#N)c2ccccc2)CC1 ZINC000354315398 381198635 /nfs/dbraw/zinc/19/86/35/381198635.db2.gz DMSSACIFOORONB-KRWDZBQOSA-N 0 1 299.418 2.627 20 30 CFEDMN C#C[C@H](NCc1ccc(OC)c(OC)c1OC)C(C)(C)C ZINC000290174483 381330422 /nfs/dbraw/zinc/33/04/22/381330422.db2.gz NEQGXGJDYKDOHK-AWEZNQCLSA-N 0 1 291.391 2.850 20 30 CFEDMN C#CCOc1ccc([C@H](C)NCc2n[nH]c(C3CC3)n2)cc1 ZINC000296479720 381413916 /nfs/dbraw/zinc/41/39/16/381413916.db2.gz OFDXJPTVSFLFGU-LBPRGKRZSA-N 0 1 296.374 2.545 20 30 CFEDMN N#Cc1cc(CN[C@H](CO)c2cccc(F)c2)ccc1F ZINC000359524263 381449855 /nfs/dbraw/zinc/44/98/55/381449855.db2.gz WJSQTVVDPNTEGQ-MRXNPFEDSA-N 0 1 288.297 2.660 20 30 CFEDMN C=CCOCCCN1CCN(c2cccc(F)c2F)CC1 ZINC000348052323 381458667 /nfs/dbraw/zinc/45/86/67/381458667.db2.gz NZKBZTMLFPGIBC-UHFFFAOYSA-N 0 1 296.361 2.680 20 30 CFEDMN Cc1cc([C@H]2CCCN2C[C@H](O)c2ccc(C#N)cc2)no1 ZINC000370570676 381470247 /nfs/dbraw/zinc/47/02/47/381470247.db2.gz VJXUQQMZWFVSKX-SJORKVTESA-N 0 1 297.358 2.725 20 30 CFEDMN COC[C@]1(C)CCN(Cc2cn3ccccc3c2C#N)C1 ZINC000296662882 381496869 /nfs/dbraw/zinc/49/68/69/381496869.db2.gz KDQLZKFHXAORED-QGZVFWFLSA-N 0 1 283.375 2.669 20 30 CFEDMN CC#CCCCC(=O)NC[C@@H](C)N1CCc2ccccc2C1 ZINC000185064300 381526315 /nfs/dbraw/zinc/52/63/15/381526315.db2.gz QVAGLGJHJDYVJC-MRXNPFEDSA-N 0 1 298.430 2.743 20 30 CFEDMN C=C[C@H]1CCCCN1Cc1cc(OC)c(O)c(OC)c1 ZINC000348360203 381530079 /nfs/dbraw/zinc/53/00/79/381530079.db2.gz UZIFSWNHSOSBQY-ZDUSSCGKSA-N 0 1 277.364 2.950 20 30 CFEDMN COC(=O)c1coc([C@H](C)NCC(C)(C)CC#N)c1 ZINC000414161002 381565755 /nfs/dbraw/zinc/56/57/55/381565755.db2.gz DVEOGEZEPIZPIM-JTQLQIEISA-N 0 1 264.325 2.657 20 30 CFEDMN CC(C)[C@H]1N(C[C@H](C#N)CCC#N)CC12CCOCC2 ZINC000414184500 381568953 /nfs/dbraw/zinc/56/89/53/381568953.db2.gz NWLVPUQPXPRLEA-LSDHHAIUSA-N 0 1 275.396 2.567 20 30 CFEDMN C=CCN(C)Cc1cn(-c2cccc(F)c2)nc1C ZINC000414434193 381587582 /nfs/dbraw/zinc/58/75/82/381587582.db2.gz PLYFQGNAVSGJCK-UHFFFAOYSA-N 0 1 259.328 2.938 20 30 CFEDMN C=C(C)Cn1c([C@@H](C)CC)nnc1N1CCN(CC)CC1 ZINC000291108556 381670030 /nfs/dbraw/zinc/67/00/30/381670030.db2.gz UTSHHSMBPUWFGT-AWEZNQCLSA-N 0 1 291.443 2.510 20 30 CFEDMN CC#CCCCC(=O)NCc1ccc(F)c(CN(C)C)c1 ZINC000185577085 381671225 /nfs/dbraw/zinc/67/12/25/381671225.db2.gz JEJILWMFBCDKSY-UHFFFAOYSA-N 0 1 290.382 2.697 20 30 CFEDMN C=CCCN(C)Cc1cc(OC)c(OC)cc1[N+](=O)[O-] ZINC000343468606 381734519 /nfs/dbraw/zinc/73/45/19/381734519.db2.gz LULYYTTTZUMEPB-UHFFFAOYSA-N 0 1 280.324 2.620 20 30 CFEDMN N#CCc1ccc(CN2CCC[C@@](O)(C(F)(F)F)C2)cc1 ZINC000343547590 381788134 /nfs/dbraw/zinc/78/81/34/381788134.db2.gz HSCVKIDIXQHYTB-AWEZNQCLSA-N 0 1 298.308 2.642 20 30 CFEDMN C=CCCCS(=O)(=O)Nc1cc(CC(C)(C)C)[nH]n1 ZINC000291859142 381780792 /nfs/dbraw/zinc/78/07/92/381780792.db2.gz JQQULXRDMRSQLQ-UHFFFAOYSA-N 0 1 285.413 2.706 20 30 CFEDMN C=CCN1CC[C@H](N(C)Cc2ccc(Cl)c(C)c2)C1=O ZINC000343602381 381832433 /nfs/dbraw/zinc/83/24/33/381832433.db2.gz LABINCKGJVVUIY-HNNXBMFYSA-N 0 1 292.810 2.867 20 30 CFEDMN C=C(C)C[C@@H](C)C(=O)Nc1nc(-c2ccco2)n[nH]1 ZINC000186161379 381839294 /nfs/dbraw/zinc/83/92/94/381839294.db2.gz VHDJALXKHQAJIA-SECBINFHSA-N 0 1 260.297 2.606 20 30 CFEDMN N#CCc1ccc(NC(=O)[C@@H]2CCCc3cn[nH]c32)cc1 ZINC000361234047 381811069 /nfs/dbraw/zinc/81/10/69/381811069.db2.gz HJVFVFWJBVKPSJ-CQSZACIVSA-N 0 1 280.331 2.534 20 30 CFEDMN Cc1ncccc1O[C@H]1CCN(CC#Cc2ccccc2)C1 ZINC000372832964 381877550 /nfs/dbraw/zinc/87/75/50/381877550.db2.gz YIIJHIYGYIUEHT-SFHVURJKSA-N 0 1 292.382 2.895 20 30 CFEDMN CN1Cc2ccccc2[C@@H](NCc2cccc(C#N)c2)C1 ZINC000372885850 381884351 /nfs/dbraw/zinc/88/43/51/381884351.db2.gz WLNYQUKICCXPRP-SFHVURJKSA-N 0 1 277.371 2.835 20 30 CFEDMN C=CCN(CCOC)Cc1ccc(OCC)c(OC)c1 ZINC000361641470 381852994 /nfs/dbraw/zinc/85/29/94/381852994.db2.gz ZIAPIUZAGBCRNA-UHFFFAOYSA-N 0 1 279.380 2.728 20 30 CFEDMN Cc1csc(C(C#N)C(=O)c2ccnn2C(C)C)n1 ZINC000361661853 381855508 /nfs/dbraw/zinc/85/55/08/381855508.db2.gz HJPSSUWQGWSKGU-SNVBAGLBSA-N 0 1 274.349 2.719 20 30 CFEDMN C(#Cc1ccccc1)CN1CC[C@@H](Oc2ccncc2)C1 ZINC000361829386 381864817 /nfs/dbraw/zinc/86/48/17/381864817.db2.gz HZUWMLRSYLGPBX-GOSISDBHSA-N 0 1 278.355 2.586 20 30 CFEDMN C=CCNC(=O)CN([C@H](C)c1ccccc1)C1CC1 ZINC000299330908 381898920 /nfs/dbraw/zinc/89/89/20/381898920.db2.gz CANZDDAZRMKGDN-CYBMUJFWSA-N 0 1 258.365 2.514 20 30 CFEDMN C=C(C)[C@H](N[C@@H]1CCOC1)c1ccc(F)c(F)c1 ZINC000186454284 381915382 /nfs/dbraw/zinc/91/53/82/381915382.db2.gz FYXKYANKEJZSBU-RISCZKNCSA-N 0 1 253.292 2.961 20 30 CFEDMN CC(C)(C)c1n[nH]c(SCc2nc(C#N)cs2)n1 ZINC000416917747 381969600 /nfs/dbraw/zinc/96/96/00/381969600.db2.gz KKMJZMGRNLZLPJ-UHFFFAOYSA-N 0 1 279.394 2.723 20 30 CFEDMN Cn1cc(CN2CCC[C@@H]2CF)c(-c2ccc(C#N)cc2)n1 ZINC000293013949 381950947 /nfs/dbraw/zinc/95/09/47/381950947.db2.gz KAGPVTQZAHKASO-MRXNPFEDSA-N 0 1 298.365 2.893 20 30 CFEDMN CC(=Cc1cccc(F)c1C#N)c1nc(C)c(C#N)c(=O)[nH]1 ZINC000357077002 381999886 /nfs/dbraw/zinc/99/98/86/381999886.db2.gz IWCYAZJLTZEMGX-TWGQIWQCSA-N 0 1 294.289 2.521 20 30 CFEDMN C=C(C)CN(Cc1ccccc1)C(=O)[C@H]1C[C@@H]1c1nc[nH]n1 ZINC000373416762 382000584 /nfs/dbraw/zinc/00/05/84/382000584.db2.gz IVWSBLXLRCBEMW-GJZGRUSLSA-N 0 1 296.374 2.513 20 30 CFEDMN C=CCN(C(=O)C(F)F)[C@@H]1CCN(Cc2ccccc2)C1 ZINC000373316112 381977609 /nfs/dbraw/zinc/97/76/09/381977609.db2.gz FKQIPKVYVVBSPG-CQSZACIVSA-N 0 1 294.345 2.541 20 30 CFEDMN C=C(C)C[C@H](C)C(=O)N1CCC(C2N=NC(=S)O2)CC1 ZINC000373346621 381983712 /nfs/dbraw/zinc/98/37/12/381983712.db2.gz RNHUARYYOOYSJH-JTQLQIEISA-N 0 1 295.408 2.667 20 30 CFEDMN COc1cccc(N2CCN([C@@H](C)CCC#N)CC2)c1 ZINC000351599232 382045673 /nfs/dbraw/zinc/04/56/73/382045673.db2.gz WHAOYIWBOKHQDF-AWEZNQCLSA-N 0 1 273.380 2.509 20 30 CFEDMN COc1cccc(N2CCN([C@H](C)CCC#N)CC2)c1 ZINC000351599241 382048865 /nfs/dbraw/zinc/04/88/65/382048865.db2.gz WHAOYIWBOKHQDF-CQSZACIVSA-N 0 1 273.380 2.509 20 30 CFEDMN C=CCSc1ccccc1C(=O)N1CCCN(C)CC1 ZINC000362396867 382049753 /nfs/dbraw/zinc/04/97/53/382049753.db2.gz PFIAMWIKWIZCQA-UHFFFAOYSA-N 0 1 290.432 2.742 20 30 CFEDMN C=C(C)CN(C)[C@H]1CCCN(Cc2ccccc2)C1=O ZINC000374856207 382059903 /nfs/dbraw/zinc/05/99/03/382059903.db2.gz KMIJOCSGMCGWDZ-INIZCTEOSA-N 0 1 272.392 2.686 20 30 CFEDMN C=C(C)CN1CCOC[C@@H]1Cc1c[nH]c2ccccc12 ZINC000374122639 382035921 /nfs/dbraw/zinc/03/59/21/382035921.db2.gz WLMRACMXFFQOAY-HNNXBMFYSA-N 0 1 270.376 2.987 20 30 CFEDMN C=CCOc1ccccc1CNc1ncnc2[nH]cnc21 ZINC000301226228 382111250 /nfs/dbraw/zinc/11/12/50/382111250.db2.gz BSBMMGPIGLILQZ-UHFFFAOYSA-N 0 1 281.319 2.530 20 30 CFEDMN N#Cc1c(C[N@H+]2CCC[C@H]3COCC[C@@H]32)cn2ccccc12 ZINC000362455770 382079966 /nfs/dbraw/zinc/07/99/66/382079966.db2.gz TXHATMUMPOLLMZ-YOEHRIQHSA-N 0 1 295.386 2.812 20 30 CFEDMN C=CCN1CC[C@@H](N2CC=C(c3ccccc3C)CC2)C1=O ZINC000375615315 382092040 /nfs/dbraw/zinc/09/20/40/382092040.db2.gz YSJSANPZHZQPTF-GOSISDBHSA-N 0 1 296.414 2.871 20 30 CFEDMN N#CC1(CCCN2CCC[C@@H]2c2ncc[nH]2)CCOCC1 ZINC000375621892 382094997 /nfs/dbraw/zinc/09/49/97/382094997.db2.gz YHURZTIFYMUORX-CQSZACIVSA-N 0 1 288.395 2.647 20 30 CFEDMN C=CCCCCCN1CCOC[C@H]1[C@@H]1CCCO1 ZINC000375740166 382100131 /nfs/dbraw/zinc/10/01/31/382100131.db2.gz DLTISQYENZLNJD-GJZGRUSLSA-N 0 1 253.386 2.613 20 30 CFEDMN CC(C)(C)OCCN1CCC(C#N)(c2ccccn2)CC1 ZINC000376594408 382153852 /nfs/dbraw/zinc/15/38/52/382153852.db2.gz DZEKNMCTKCOEEE-UHFFFAOYSA-N 0 1 287.407 2.754 20 30 CFEDMN COCCCCN(C)Cc1cc(C#N)ccc1F ZINC000352102954 382173337 /nfs/dbraw/zinc/17/33/37/382173337.db2.gz VWOREPZWSYWTMB-UHFFFAOYSA-N 0 1 250.317 2.556 20 30 CFEDMN COc1ccc(C#N)cc1CN(C)CCc1ccccc1O ZINC000344203243 382196783 /nfs/dbraw/zinc/19/67/83/382196783.db2.gz DSPBCHHKFDEAOW-UHFFFAOYSA-N 0 1 296.370 2.947 20 30 CFEDMN CC[C@@]1(CO)CCCN(Cc2ccc(F)c(C#N)c2)C1 ZINC000187636856 382231647 /nfs/dbraw/zinc/23/16/47/382231647.db2.gz XLIUOIDOIRXWKU-MRXNPFEDSA-N 0 1 276.355 2.682 20 30 CFEDMN Cc1ccc(NC(=O)c2ccc(C#N)c(O)c2)cc1O ZINC000357689968 382279970 /nfs/dbraw/zinc/27/99/70/382279970.db2.gz FOFJYFHEAWNCQI-UHFFFAOYSA-N 0 1 268.272 2.530 20 30 CFEDMN C#Cc1ccc(CN[C@@H](c2cccnc2)C(C)(C)CO)cc1 ZINC000293791323 382281976 /nfs/dbraw/zinc/28/19/76/382281976.db2.gz ZUWNIGSPBXLRAW-SFHVURJKSA-N 0 1 294.398 2.912 20 30 CFEDMN N#CC1(C(=O)Nc2cccc3c2CN(C2CC2)C3)CCC1 ZINC000363853474 382250222 /nfs/dbraw/zinc/25/02/22/382250222.db2.gz LAAZGRCLQVJOAE-UHFFFAOYSA-N 0 1 281.359 2.797 20 30 CFEDMN Cc1ccc(NC[C@@H](c2ccco2)N(C)C)nc1C#N ZINC000302730821 382304751 /nfs/dbraw/zinc/30/47/51/382304751.db2.gz VSVQSZQUFBIALZ-ZDUSSCGKSA-N 0 1 270.336 2.570 20 30 CFEDMN CC[N@@H+](Cc1cccs1)[C@H](C)C(=O)NC1(C#N)CCC1 ZINC000345799168 382314878 /nfs/dbraw/zinc/31/48/78/382314878.db2.gz YQKMPOAFIAVNQH-GFCCVEGCSA-N 0 1 291.420 2.521 20 30 CFEDMN CCN(Cc1cccs1)[C@H](C)C(=O)NC1(C#N)CCC1 ZINC000345799168 382314883 /nfs/dbraw/zinc/31/48/83/382314883.db2.gz YQKMPOAFIAVNQH-GFCCVEGCSA-N 0 1 291.420 2.521 20 30 CFEDMN CN(C)c1ccccc1CN1CCC(F)(C#N)CC1 ZINC000352448261 382338232 /nfs/dbraw/zinc/33/82/32/382338232.db2.gz GJESGJMZQGAARA-UHFFFAOYSA-N 0 1 261.344 2.580 20 30 CFEDMN C=C[C@H](CO)NCc1ccc(-c2cccc(F)c2F)o1 ZINC000352481673 382356024 /nfs/dbraw/zinc/35/60/24/382356024.db2.gz PQFVCBDRSVOXAY-SNVBAGLBSA-N 0 1 279.286 2.861 20 30 CFEDMN COc1cc(C)ccc1NC(=O)c1ccc(C#N)c(O)c1 ZINC000188341903 382396750 /nfs/dbraw/zinc/39/67/50/382396750.db2.gz DQYSHBNKZQVJOH-UHFFFAOYSA-N 0 1 282.299 2.833 20 30 CFEDMN N#Cc1ccc(CN2CCCO[C@@H]3CCC[C@@H]32)cc1F ZINC000365274984 382370512 /nfs/dbraw/zinc/37/05/12/382370512.db2.gz NGNAATDHKYHSMO-JKSUJKDBSA-N 0 1 274.339 2.841 20 30 CFEDMN C=C[C@@H](CO)N[C@H]1CCc2sc(Br)cc21 ZINC000294028587 382384796 /nfs/dbraw/zinc/38/47/96/382384796.db2.gz FKBORXZQYFOZSB-CBAPKCEASA-N 0 1 288.210 2.634 20 30 CFEDMN CC(C)Oc1ncccc1NC(=O)c1ccc(C#N)c(O)c1 ZINC000188321740 382392466 /nfs/dbraw/zinc/39/24/66/382392466.db2.gz AIPQMMZGWTXGMG-UHFFFAOYSA-N 0 1 297.314 2.698 20 30 CFEDMN C=C[C@@](C)(CC)C(=O)NCCN(C)Cc1ccc(F)cc1 ZINC000188487331 382423424 /nfs/dbraw/zinc/42/34/24/382423424.db2.gz RKVLQDJXPQHDGD-KRWDZBQOSA-N 0 1 292.398 2.976 20 30 CFEDMN N#Cc1ccc([C@@H](O)CN2CCC[C@@H]2c2nccs2)cc1 ZINC000378145594 382407768 /nfs/dbraw/zinc/40/77/68/382407768.db2.gz SYHGCYZOWJTYOU-CABCVRRESA-N 0 1 299.399 2.885 20 30 CFEDMN Cc1ccc([C@@H](C)N(C)CC(=O)NC2(C#N)CCC2)cc1 ZINC000346815766 382526837 /nfs/dbraw/zinc/52/68/37/382526837.db2.gz CNJNIDPCDJGQFF-CQSZACIVSA-N 0 1 285.391 2.550 20 30 CFEDMN C=CCC1(C(=O)Nc2cc(CN(C)C)ccn2)CCC1 ZINC000188918203 382504373 /nfs/dbraw/zinc/50/43/73/382504373.db2.gz HQQHEKBGCGLTHA-UHFFFAOYSA-N 0 1 273.380 2.828 20 30 CFEDMN C=CCC1(C(=O)Nc2ccc3[nH]nnc3c2)CCC1 ZINC000188975736 382517091 /nfs/dbraw/zinc/51/70/91/382517091.db2.gz DWXMCQDDANRLHQ-UHFFFAOYSA-N 0 1 256.309 2.643 20 30 CFEDMN C[C@@H](N(C)Cc1ccc(C#N)cc1Cl)C(C)(C)O ZINC000382972392 382538764 /nfs/dbraw/zinc/53/87/64/382538764.db2.gz RBBYOYWCLKEDOT-SNVBAGLBSA-N 0 1 266.772 2.803 20 30 CFEDMN CC(C)n1cc(C#N)c(=NC(=O)c2ccc([C@@H]3C[C@H]3C)o2)[nH]1 ZINC000366639504 382536679 /nfs/dbraw/zinc/53/66/79/382536679.db2.gz TVAOEFQDCJMYLM-ZYHUDNBSSA-N 0 1 298.346 2.726 20 30 CFEDMN C=CCC[C@H](CO)NCc1csc(-c2ccccn2)n1 ZINC000320252232 382537483 /nfs/dbraw/zinc/53/74/83/382537483.db2.gz IKQSGYDMAVCFAG-GFCCVEGCSA-N 0 1 289.404 2.622 20 30 CFEDMN C=CCC[C@@H](C(=O)NCC[N@H+](C)CC)c1ccccc1 ZINC000189498773 382616803 /nfs/dbraw/zinc/61/68/03/382616803.db2.gz INDSCFDVANASID-MRXNPFEDSA-N 0 1 274.408 2.804 20 30 CFEDMN CC1(C)CN(CCOc2cccc(C#N)c2)CC(C)(C)O1 ZINC000189649143 382632177 /nfs/dbraw/zinc/63/21/77/382632177.db2.gz JERDIZXZNWUMNJ-UHFFFAOYSA-N 0 1 288.391 2.826 20 30 CFEDMN C[C@H]1CCN(Cc2cnc3ccc(C#N)cn23)CCS1 ZINC000190689428 382677871 /nfs/dbraw/zinc/67/78/71/382677871.db2.gz YXXUSXQRTWBZRJ-LBPRGKRZSA-N 0 1 286.404 2.533 20 30 CFEDMN N#C[C@H](C(=O)c1n[nH]c2c1CCCCC2)c1ccccn1 ZINC000190832940 382681802 /nfs/dbraw/zinc/68/18/02/382681802.db2.gz FBVFARLMBPIYFO-LBPRGKRZSA-N 0 1 280.331 2.564 20 30 CFEDMN N#CC(C(=O)c1n[nH]c2c1CCCCC2)c1ccccn1 ZINC000190832940 382681804 /nfs/dbraw/zinc/68/18/04/382681804.db2.gz FBVFARLMBPIYFO-LBPRGKRZSA-N 0 1 280.331 2.564 20 30 CFEDMN Cn1cccc1[C@@H]1CCCN1Cc1cc(C#N)n(C)c1 ZINC000191185469 382694936 /nfs/dbraw/zinc/69/49/36/382694936.db2.gz UTHNOKMTHPHWCH-INIZCTEOSA-N 0 1 268.364 2.572 20 30 CFEDMN C=CCCCCCN1CCN(Cc2cc(C)no2)CC1 ZINC000193290180 382718164 /nfs/dbraw/zinc/71/81/64/382718164.db2.gz PRJYMHFDIOPNFD-UHFFFAOYSA-N 0 1 277.412 2.847 20 30 CFEDMN COc1ccc(C#N)cc1CN1CC[C@H](OC)C[C@@H]1C ZINC000336827263 382724292 /nfs/dbraw/zinc/72/42/92/382724292.db2.gz UVAUYNLMVJJANK-WFASDCNBSA-N 0 1 274.364 2.566 20 30 CFEDMN C=CCN(CCOC)[C@H](C)c1cccc([N+](=O)[O-])c1 ZINC000191095859 382690940 /nfs/dbraw/zinc/69/09/40/382690940.db2.gz OPXNLWREQCGXDE-GFCCVEGCSA-N 0 1 264.325 2.790 20 30 CFEDMN C=CCN1CC[C@H](N(Cc2ccccc2C)C2CC2)C1=O ZINC000337127480 382764564 /nfs/dbraw/zinc/76/45/64/382764564.db2.gz GWUKSWUMMKERRW-KRWDZBQOSA-N 0 1 284.403 2.746 20 30 CFEDMN Cc1cccc2oc(CCNCc3ccc(C#N)o3)nc21 ZINC000337128330 382764712 /nfs/dbraw/zinc/76/47/12/382764712.db2.gz HSLCGIRWOROAPS-UHFFFAOYSA-N 0 1 281.315 2.933 20 30 CFEDMN N#Cc1ccccc1CN[C@H]1CCC[C@@H]1OC(F)F ZINC000337276247 382791828 /nfs/dbraw/zinc/79/18/28/382791828.db2.gz FBQWEJKDSILNPL-STQMWFEESA-N 0 1 266.291 2.808 20 30 CFEDMN CCC1(C)CCN(CC(=O)NCc2cccc(C#N)c2)CC1 ZINC000337693638 382856120 /nfs/dbraw/zinc/85/61/20/382856120.db2.gz QRHWVGLYYKTPDG-UHFFFAOYSA-N 0 1 299.418 2.687 20 30 CFEDMN C#CCCCCNCc1c(Cl)cccc1S(C)(=O)=O ZINC000230699678 382862802 /nfs/dbraw/zinc/86/28/02/382862802.db2.gz KRMIFOMBQUWPAK-UHFFFAOYSA-N 0 1 299.823 2.637 20 30 CFEDMN COC(=O)c1cccc(CN(C)C2CCCC2)c1C#N ZINC000533778202 382910121 /nfs/dbraw/zinc/91/01/21/382910121.db2.gz RIGDEZQKPJBPJV-UHFFFAOYSA-N 0 1 272.348 2.719 20 30 CFEDMN COc1cncc(/C=C\CCN(C)[C@H](C)CC#N)c1 ZINC000578128913 382894143 /nfs/dbraw/zinc/89/41/43/382894143.db2.gz IFIAWOLXRRDTQH-RYWCDNDXSA-N 0 1 259.353 2.727 20 30 CFEDMN CCOC(=O)CCN(C)CC#Cc1ccccc1Cl ZINC000441165863 382898436 /nfs/dbraw/zinc/89/84/36/382898436.db2.gz JDGWTFHSOIFIPG-UHFFFAOYSA-N 0 1 279.767 2.577 20 30 CFEDMN N#C[C@@H]1CC[C@@H](NCc2cccnc2OCC(F)(F)F)C1 ZINC000442716727 382949395 /nfs/dbraw/zinc/94/93/95/382949395.db2.gz MXLGDIZKZWZTEZ-ZYHUDNBSSA-N 0 1 299.296 2.805 20 30 CFEDMN CCCOc1ncccc1CN[C@H]1CC[C@@H](C#N)C1 ZINC000442775113 382954075 /nfs/dbraw/zinc/95/40/75/382954075.db2.gz FRLPHKLSWMVMKF-OCCSQVGLSA-N 0 1 259.353 2.652 20 30 CFEDMN N#C[C@H]1CC[C@H](NCC(=O)Nc2ccc(Cl)cc2)C1 ZINC000442781765 382955652 /nfs/dbraw/zinc/95/56/52/382955652.db2.gz QAOGOHFKOQSNJB-GWCFXTLKSA-N 0 1 277.755 2.560 20 30 CFEDMN C=CCN(Cc1cnc(OC)c(Cl)c1)C1CC1 ZINC000537857111 382958558 /nfs/dbraw/zinc/95/85/58/382958558.db2.gz JXLQJUYIEUQDAM-UHFFFAOYSA-N 0 1 252.745 2.894 20 30 CFEDMN C[C@H](C#N)CN(Cc1ccc2nc[nH]c2c1)C1CC1 ZINC000538762379 382960265 /nfs/dbraw/zinc/96/02/65/382960265.db2.gz NAMOJRPQJHSDNW-LLVKDONJSA-N 0 1 254.337 2.687 20 30 CFEDMN C=CCCCN(C)CN1CC2(CCCC2)OC1=O ZINC000494642076 382915928 /nfs/dbraw/zinc/91/59/28/382915928.db2.gz VCUXNSFYNSLNPD-UHFFFAOYSA-N 0 1 252.358 2.607 20 30 CFEDMN CC(C)(C#N)CCCCN1CCO[C@@H](COCC2CC2)C1 ZINC000444690350 382978213 /nfs/dbraw/zinc/97/82/13/382978213.db2.gz SDFAVIIRKIEQJF-MRXNPFEDSA-N 0 1 294.439 2.834 20 30 CFEDMN COC(=O)CC1(NCc2ccc(F)cc2C#N)CCCC1 ZINC000338322070 382990748 /nfs/dbraw/zinc/99/07/48/382990748.db2.gz SWFFDULQKRNJGC-UHFFFAOYSA-N 0 1 290.338 2.663 20 30 CFEDMN Cn1cc2c(n1)CCC[C@@H]2NCc1cc(C#N)cs1 ZINC000549011275 382995783 /nfs/dbraw/zinc/99/57/83/382995783.db2.gz QZEXAIHQOZCISM-ZDUSSCGKSA-N 0 1 272.377 2.520 20 30 CFEDMN CC(C)(C)OC(=O)N1CCCN([C@H]2CC[C@H](C#N)C2)CC1 ZINC000495593488 382999004 /nfs/dbraw/zinc/99/90/04/382999004.db2.gz KNJUBIBDBIVSGW-KBPBESRZSA-N 0 1 293.411 2.621 20 30 CFEDMN C=C(C)CN(C)[C@H](C)C(=O)N[C@@H]1CCC[C@H](C)[C@@H]1C ZINC000245525669 383004817 /nfs/dbraw/zinc/00/48/17/383004817.db2.gz ABOCKCCGCINFEL-BYNSBNAKSA-N 0 1 266.429 2.824 20 30 CFEDMN CC(C)(C)[C@H]1CCN(CC#Cc2ccc(F)cc2)C[C@@H]1O ZINC000541618073 382965844 /nfs/dbraw/zinc/96/58/44/382965844.db2.gz JPWZZQOOLCPDQB-IRXDYDNUSA-N 0 1 289.394 2.906 20 30 CFEDMN N#CCC[C@H](C#N)CNC[C@H]1CSc2ccccc21 ZINC000578970779 382970150 /nfs/dbraw/zinc/97/01/50/382970150.db2.gz HALCKHFGUHHKOU-OLZOCXBDSA-N 0 1 271.389 2.909 20 30 CFEDMN C[C@H](CCC#N)N1CCC[C@@H](OCC(F)(F)F)C1 ZINC000578973017 382970340 /nfs/dbraw/zinc/97/03/40/382970340.db2.gz WRAXROUXUIBGRF-GHMZBOCLSA-N 0 1 264.291 2.722 20 30 CFEDMN C[C@H](C#N)CN(C)CC[C@@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC000495874216 383037966 /nfs/dbraw/zinc/03/79/66/383037966.db2.gz LFBBAMASOMJGSK-ZIAGYGMSSA-N 0 1 295.427 2.725 20 30 CFEDMN C=CCC[C@H](O)CN1C[C@@H](C)O[C@@H](c2ccccc2)C1 ZINC000245988133 383056467 /nfs/dbraw/zinc/05/64/67/383056467.db2.gz FSCODNZUXHOUEI-HYVNUMGLSA-N 0 1 275.392 2.776 20 30 CFEDMN CCC[C@H]1CCCN(CC(=O)N[C@](C)(C#N)C(C)C)C1 ZINC000246434602 383076093 /nfs/dbraw/zinc/07/60/93/383076093.db2.gz CYXJDRCRJWGIIZ-GOEBONIOSA-N 0 1 279.428 2.553 20 30 CFEDMN C=C(C)CC[N@H+](CCOCC)Cc1ccc(C(=O)[O-])o1 ZINC000579484961 383022279 /nfs/dbraw/zinc/02/22/79/383022279.db2.gz ZMQBYYHVRRSERE-UHFFFAOYSA-N 0 1 281.352 2.783 20 30 CFEDMN CCC1(C)CCN(CC(=O)NC2(C#N)CCCCC2)CC1 ZINC000507206513 383145582 /nfs/dbraw/zinc/14/55/82/383145582.db2.gz OPSZAXIWSPFAET-UHFFFAOYSA-N 0 1 291.439 2.841 20 30 CFEDMN C=CCCCCCNC(=O)c1ccc(-c2nnc[nH]2)cc1 ZINC000584003346 383094870 /nfs/dbraw/zinc/09/48/70/383094870.db2.gz BSBRVFQSCPJFAL-UHFFFAOYSA-N 0 1 284.363 2.948 20 30 CFEDMN C=CCC(C)(C)C(=O)NCCN(CC)CCC(F)(F)F ZINC000507082897 383145195 /nfs/dbraw/zinc/14/51/95/383145195.db2.gz FPDKMZYIIVMETG-UHFFFAOYSA-N 0 1 294.361 2.979 20 30 CFEDMN CC(C)C[C@H](C)N(C)C(=O)CN1CCC(CCC#N)CC1 ZINC000564916984 383174578 /nfs/dbraw/zinc/17/45/78/383174578.db2.gz WBUPUFVGNKXZQU-HNNXBMFYSA-N 0 1 293.455 2.895 20 30 CFEDMN C=C(C)CN(CC)C(=O)[C@@H](C)N1CCS[C@@H](CC)C1 ZINC000247457714 383175112 /nfs/dbraw/zinc/17/51/12/383175112.db2.gz IBKVIDSASTYABS-KGLIPLIRSA-N 0 1 284.469 2.627 20 30 CFEDMN COC(=O)[C@H](CC(C)C)N1CCC(CCC#N)CC1 ZINC000565478203 383179582 /nfs/dbraw/zinc/17/95/82/383179582.db2.gz RHSXRVJKUHDCNU-AWEZNQCLSA-N 0 1 266.385 2.590 20 30 CFEDMN C=C(C)C[N@H+](CC)[C@H](C(=O)[O-])c1cc(OC)cc(OC)c1 ZINC000565662730 383179997 /nfs/dbraw/zinc/17/99/97/383179997.db2.gz KFHACWPUKIXATI-HNNXBMFYSA-N 0 1 293.363 2.728 20 30 CFEDMN C[C@H]1CCN(CC(=O)Nc2ccc(Cl)cc2CC#N)C1 ZINC000566456494 383187315 /nfs/dbraw/zinc/18/73/15/383187315.db2.gz NCXGOULTXKOYOL-NSHDSACASA-N 0 1 291.782 2.686 20 30 CFEDMN C=CCC[C@H](O)CN1C[C@@H](C)OC[C@H]1c1ccccc1 ZINC000247679180 383190662 /nfs/dbraw/zinc/19/06/62/383190662.db2.gz ZLRJRRJPEAJYKN-PVAVHDDUSA-N 0 1 275.392 2.776 20 30 CFEDMN C=CCN1CC[C@@H](N(C)Cc2cccc3ccoc32)C1=O ZINC000449306748 383210935 /nfs/dbraw/zinc/21/09/35/383210935.db2.gz XNLSFBRXCLONBI-OAHLLOKOSA-N 0 1 284.359 2.652 20 30 CFEDMN Cc1ccc(NC(=O)C[C@@H](C)NCC2(C#N)CC2)c(C)c1 ZINC000562384688 383156917 /nfs/dbraw/zinc/15/69/17/383156917.db2.gz XZCQUBSKJFGLJY-CQSZACIVSA-N 0 1 285.391 2.914 20 30 CFEDMN C[C@@H]1CC[C@H](C)N1CC(=O)N[C@@](C)(C#N)C1CCCCC1 ZINC000562580843 383160244 /nfs/dbraw/zinc/16/02/44/383160244.db2.gz WYSMCZUGXOYPSK-VBQJREDUSA-N 0 1 291.439 2.838 20 30 CFEDMN CCOc1ccc(Cl)cc1CCNCCC#N ZINC000516048943 383162453 /nfs/dbraw/zinc/16/24/53/383162453.db2.gz SFEPQFWBWZOYFW-UHFFFAOYSA-N 0 1 252.745 2.784 20 30 CFEDMN C[C@@]1(CO)CCCN1Cc1ccc(C#N)cc1C(F)(F)F ZINC000516357680 383164062 /nfs/dbraw/zinc/16/40/62/383164062.db2.gz FGHGASCDGRNOSI-AWEZNQCLSA-N 0 1 298.308 2.924 20 30 CFEDMN C=C[C@H]1CCCCN1C(=O)c1cc(-c2ccoc2)[nH]n1 ZINC000567443537 383275456 /nfs/dbraw/zinc/27/54/56/383275456.db2.gz OPYKLUMTPMRCQD-LBPRGKRZSA-N 0 1 271.320 2.850 20 30 CFEDMN C[C@H](c1cccc(C#N)c1)N(C)C(=O)c1cc(C2CC2)[nH]n1 ZINC000425136876 383329316 /nfs/dbraw/zinc/32/93/16/383329316.db2.gz XEOCRYWZVQWGIR-LLVKDONJSA-N 0 1 294.358 2.992 20 30 CFEDMN CC[C@H]1CN(Cc2ccc(C#N)cc2C)C[C@@H](C)O1 ZINC000249124112 383329294 /nfs/dbraw/zinc/32/92/94/383329294.db2.gz IQVMWSJGGYBXBH-CJNGLKHVSA-N 0 1 258.365 2.866 20 30 CFEDMN CCO[C@H]1CCN(Cc2ccc(C#N)s2)C[C@H]1C ZINC000449493963 383331418 /nfs/dbraw/zinc/33/14/18/383331418.db2.gz MLOFARSCRNXGLJ-RISCZKNCSA-N 0 1 264.394 2.867 20 30 CFEDMN Cc1cc(NC[C@@H](c2ccco2)N2CCCC2)c(C#N)cn1 ZINC000425201712 383339500 /nfs/dbraw/zinc/33/95/00/383339500.db2.gz OCACKHFTNXFSHU-INIZCTEOSA-N 0 1 296.374 2.526 20 30 CFEDMN Cc1cc(C[C@@H](C)Nc2c(C#N)cccc2[N+](=O)[O-])[nH]n1 ZINC000425232163 383344123 /nfs/dbraw/zinc/34/41/23/383344123.db2.gz FGEXSEXWZOHPIN-SECBINFHSA-N 0 1 285.307 2.541 20 30 CFEDMN N#Cc1cccc([N+](=O)[O-])c1CN1C[C@@H]2CCC[C@@H]2C1 ZINC000459340788 383286709 /nfs/dbraw/zinc/28/67/09/383286709.db2.gz JBQMTQQLBXIPSC-BETUJISGSA-N 0 1 271.320 2.698 20 30 CFEDMN C=CCOc1cccc(CN[C@H](CO)CC(F)(F)F)c1 ZINC000339794774 383321235 /nfs/dbraw/zinc/32/12/35/383321235.db2.gz LMJXPPAZHLCVOA-LBPRGKRZSA-N 0 1 289.297 2.654 20 30 CFEDMN C=CCN(Cc1ccccc1F)C[C@@H](O)CCC ZINC000450293735 383389147 /nfs/dbraw/zinc/38/91/47/383389147.db2.gz ZBGWWMASSKCLIV-AWEZNQCLSA-N 0 1 251.345 2.975 20 30 CFEDMN CCO[C@@H]1C[C@@H](N(C)CC2(C#N)CCC2)C1(C)C ZINC000450431064 383407689 /nfs/dbraw/zinc/40/76/89/383407689.db2.gz XKNPICJNYDRVNV-CHWSQXEVSA-N 0 1 250.386 2.816 20 30 CFEDMN C=CCCN(C)CC(=O)N[C@@H](C)c1ccc(CC)cc1 ZINC000467298037 383352141 /nfs/dbraw/zinc/35/21/41/383352141.db2.gz STPQOSPSFFPASM-AWEZNQCLSA-N 0 1 274.408 2.934 20 30 CFEDMN N#Cc1cccc(CN[C@H](c2cccs2)c2nnc[nH]2)c1 ZINC000340173987 383368266 /nfs/dbraw/zinc/36/82/66/383368266.db2.gz XVUPTDWCKQGGPQ-CQSZACIVSA-N 0 1 295.371 2.617 20 30 CFEDMN C=CCOc1ccc(CN2C[C@H](O)C[C@@H]2C)cc1Cl ZINC000471806481 383378547 /nfs/dbraw/zinc/37/85/47/383378547.db2.gz WYIBUIOHSIJUPF-WCQYABFASA-N 0 1 281.783 2.860 20 30 CFEDMN C[C@@H](c1ccc(-n2cncn2)cc1)N(C)CC1(C#N)CCC1 ZINC000450241019 383387526 /nfs/dbraw/zinc/38/75/26/383387526.db2.gz JOLQEKUKRMIHCQ-AWEZNQCLSA-N 0 1 295.390 2.954 20 30 CFEDMN C=C(C)CN(C)CC(=O)NCCSc1ccc(C)cc1 ZINC000481241100 383424044 /nfs/dbraw/zinc/42/40/44/383424044.db2.gz SYZOPRNQCIXVGA-UHFFFAOYSA-N 0 1 292.448 2.711 20 30 CFEDMN C=CCCC[C@@H](C)N1CCN(C(=O)NC(C)(C)C)CC1 ZINC000481155213 383424388 /nfs/dbraw/zinc/42/43/88/383424388.db2.gz NSRWKRQZIQCGLK-CQSZACIVSA-N 0 1 281.444 2.857 20 30 CFEDMN C=CC[C@@H](CC)NC(=O)c1cn[nH]c1-c1ccccn1 ZINC000487681584 383481198 /nfs/dbraw/zinc/48/11/98/383481198.db2.gz XILLOCZDRQZCBA-LLVKDONJSA-N 0 1 270.336 2.556 20 30 CFEDMN C=CCCCCCNC(=O)N[C@H]1CCCc2cn[nH]c21 ZINC000568765120 383434276 /nfs/dbraw/zinc/43/42/76/383434276.db2.gz SLICZXRKENVILD-ZDUSSCGKSA-N 0 1 276.384 2.833 20 30 CFEDMN C[C@@H]1CN(c2ncc(C#N)cc2Cl)CCN(C2CC2)C1 ZINC000450546058 383455093 /nfs/dbraw/zinc/45/50/93/383455093.db2.gz DHKNOUFVJQEUOD-NSHDSACASA-N 0 1 290.798 2.527 20 30 CFEDMN CCCN1C(=O)N=NC1SCc1ccc(C#N)s1 ZINC000569001411 383459191 /nfs/dbraw/zinc/45/91/91/383459191.db2.gz YXKSUWDFTBBVKJ-UHFFFAOYSA-N 0 1 280.378 2.619 20 30 CFEDMN C=CCC1(C(=O)N2CCN(C)[C@@H](C)[C@@H]2C)CCCC1 ZINC000450559409 383461685 /nfs/dbraw/zinc/46/16/85/383461685.db2.gz FLUULDMSPNHTPN-KBPBESRZSA-N 0 1 264.413 2.674 20 30 CFEDMN CC[C@]1(CNC[C@H](C#N)CCC#N)OCCc2ccccc21 ZINC000569178384 383473584 /nfs/dbraw/zinc/47/35/84/383473584.db2.gz UNSHSZUKRRGUHN-MAUKXSAKSA-N 0 1 297.402 2.898 20 30 CFEDMN COC1(CC(=O)Nc2nc(C3CCC3)n[nH]2)CCC1 ZINC000330024845 532986179 /nfs/dbraw/zinc/98/61/79/532986179.db2.gz AMXWUWWWKMIHTO-UHFFFAOYSA-N 0 1 264.329 2.619 20 30 CFEDMN COC1(CC(=O)Nc2n[nH]c(C3CCC3)n2)CCC1 ZINC000330024845 532986185 /nfs/dbraw/zinc/98/61/85/532986185.db2.gz AMXWUWWWKMIHTO-UHFFFAOYSA-N 0 1 264.329 2.619 20 30 CFEDMN Cc1c(Cl)cnc(N2CCN(C)[C@@H](C(C)C)C2)c1C#N ZINC000487072552 383476968 /nfs/dbraw/zinc/47/69/68/383476968.db2.gz CRTRTKCJAZZMLC-CQSZACIVSA-N 0 1 292.814 2.692 20 30 CFEDMN C[C@@H](c1ccccc1)[C@@H](O)CN(CCC#N)CC1CC1 ZINC000450462296 383420125 /nfs/dbraw/zinc/42/01/25/383420125.db2.gz FQOLBEFUCOKJJJ-YOEHRIQHSA-N 0 1 272.392 2.777 20 30 CFEDMN C=CCn1cccc1C(=O)Nc1nc2ccc(F)cc2[nH]1 ZINC000428040360 383420198 /nfs/dbraw/zinc/42/01/98/383420198.db2.gz VRKRUPIRWBIGPP-UHFFFAOYSA-N 0 1 284.294 2.942 20 30 CFEDMN C/C=C\c1ccc(NS(=O)(=O)c2ccc(C#N)nc2)cc1 ZINC000341068545 383552581 /nfs/dbraw/zinc/55/25/81/383552581.db2.gz SSVGUABDNQJZGL-IHWYPQMZSA-N 0 1 299.355 2.787 20 30 CFEDMN CC(C)[C@H]1CN(Cc2ccc(CC#N)cc2)CC[N@H+]1C ZINC000487980829 383483917 /nfs/dbraw/zinc/48/39/17/383483917.db2.gz MAALRIQBAJUMEF-QGZVFWFLSA-N 0 1 271.408 2.525 20 30 CFEDMN C=C(C)CN(CC)CC(=O)N(C)[C@@H]1CCCC[C@H]1C ZINC000255961354 383487954 /nfs/dbraw/zinc/48/79/54/383487954.db2.gz YYXDRRKTORRVOO-HUUCEWRRSA-N 0 1 266.429 2.922 20 30 CFEDMN CCC(C#N)(CC)C(=O)Nc1cnn(-c2ccncc2)c1 ZINC000528370519 383505486 /nfs/dbraw/zinc/50/54/86/383505486.db2.gz DUTPDOXOMNZNJN-UHFFFAOYSA-N 0 1 283.335 2.536 20 30 CFEDMN CCc1nnc(SCc2cccc(F)c2C#N)[nH]1 ZINC000488239200 383507335 /nfs/dbraw/zinc/50/73/35/383507335.db2.gz YKCBOUGTVYHZKO-UHFFFAOYSA-N 0 1 262.313 2.670 20 30 CFEDMN CCc1n[nH]c(SCc2cccc(F)c2C#N)n1 ZINC000488239200 383507338 /nfs/dbraw/zinc/50/73/38/383507338.db2.gz YKCBOUGTVYHZKO-UHFFFAOYSA-N 0 1 262.313 2.670 20 30 CFEDMN C=CCCN1[C@H](C)CN(C(=O)C(C)(C)C)C[C@H]1C ZINC000429392386 383527378 /nfs/dbraw/zinc/52/73/78/383527378.db2.gz FTJGVCOFTOQCEL-CHWSQXEVSA-N 0 1 252.402 2.530 20 30 CFEDMN C=C(CC)CN1[C@@H](C)CN(C(=O)C(C)(C)C)C[C@@H]1C ZINC000429393245 383527389 /nfs/dbraw/zinc/52/73/89/383527389.db2.gz KWCVYOMTFLEXHC-KBPBESRZSA-N 0 1 266.429 2.920 20 30 CFEDMN C[C@H]1CN(C(=O)C(C)(C)C)C[C@H](C)N1CCCCC#N ZINC000429392766 383527538 /nfs/dbraw/zinc/52/75/38/383527538.db2.gz HIQKTYSLOQLKFI-KBPBESRZSA-N 0 1 279.428 2.648 20 30 CFEDMN CN(C(=O)CN1CCC(CCC#N)CC1)c1ccccc1 ZINC000569840981 383543117 /nfs/dbraw/zinc/54/31/17/383543117.db2.gz LOHRXWDGGGVVFE-UHFFFAOYSA-N 0 1 285.391 2.665 20 30 CFEDMN COc1cncc(/C=C/CCN(C)CC(C)(C)C#N)c1 ZINC000569840131 383543294 /nfs/dbraw/zinc/54/32/94/383543294.db2.gz TXVVTXZHUNQCGK-FNORWQNLSA-N 0 1 273.380 2.975 20 30 CFEDMN Cc1oc(NC(=O)CN(C)[C@@H]2CC[C@H](C)C2)c(C#N)c1C ZINC000429557562 383543532 /nfs/dbraw/zinc/54/35/32/383543532.db2.gz COHNYHURAUZWQK-GXFFZTMASA-N 0 1 289.379 2.827 20 30 CFEDMN CC1(C)CN(C[C@H](O)CC2(C#N)CC2)[C@H]1c1cccnc1 ZINC000528560566 383576596 /nfs/dbraw/zinc/57/65/96/383576596.db2.gz LLIKRHGNGPEPKZ-CABCVRRESA-N 0 1 285.391 2.519 20 30 CFEDMN N#CCC1(CNCc2nc(-c3ccccc3)c[nH]2)CC1 ZINC000430024523 383583650 /nfs/dbraw/zinc/58/36/50/383583650.db2.gz SSUHPASRTVTZCD-UHFFFAOYSA-N 0 1 266.348 2.860 20 30 CFEDMN Cc1cc(CN2CC(C)(C)OC[C@@H]2C)ccc1C#N ZINC000489019158 383590721 /nfs/dbraw/zinc/59/07/21/383590721.db2.gz UMSHURWITMDZLV-ZDUSSCGKSA-N 0 1 258.365 2.866 20 30 CFEDMN Cc1cc(CN2CCc3cc[nH]c(=O)c3C2)ccc1C#N ZINC000489025862 383591825 /nfs/dbraw/zinc/59/18/25/383591825.db2.gz JEZSBIPIICRZIU-UHFFFAOYSA-N 0 1 279.343 2.526 20 30 CFEDMN COc1ccc([C@H](C)NCc2ccnc(C#N)c2)c(OC)c1 ZINC000528670482 383604984 /nfs/dbraw/zinc/60/49/84/383604984.db2.gz RGRHETNTJCQLFP-LBPRGKRZSA-N 0 1 297.358 2.821 20 30 CFEDMN COc1ccc(C#N)cc1CN1CCC(CF)CC1 ZINC000451395256 383607196 /nfs/dbraw/zinc/60/71/96/383607196.db2.gz QGNOPLWNLSXGKO-UHFFFAOYSA-N 0 1 262.328 2.748 20 30 CFEDMN N#Cc1c(F)cccc1CN1CCC[C@@H]1[C@H]1CCC[C@@H]1O ZINC000451415660 383609956 /nfs/dbraw/zinc/60/99/56/383609956.db2.gz FOTFAMJDKMVJTE-XYPHTWIQSA-N 0 1 288.366 2.823 20 30 CFEDMN CCN(CC)[C@H](C(=O)NCC1(CC#N)CC1)c1ccccc1 ZINC000431178503 383637646 /nfs/dbraw/zinc/63/76/46/383637646.db2.gz JGWGPAZGVTZBCH-INIZCTEOSA-N 0 1 299.418 2.880 20 30 CFEDMN C[C@H](c1cccc(C#N)c1)N1CC[C@H]2CC[C@@H](C1)[S@@]2=O ZINC000528787051 383638715 /nfs/dbraw/zinc/63/87/15/383638715.db2.gz YYVPUKACLKABBR-ZIKOISBGSA-N 0 1 288.416 2.605 20 30 CFEDMN C[C@@H](CCC#N)N1CCN(c2cccc3[nH]ccc32)CC1 ZINC000528761402 383627957 /nfs/dbraw/zinc/62/79/57/383627957.db2.gz DUJQSBMXZZXZKY-AWEZNQCLSA-N 0 1 282.391 2.982 20 30 CFEDMN CN(Cc1nnc(-c2cccc(C#N)c2)o1)C(C)(C)C ZINC000570715928 383628309 /nfs/dbraw/zinc/62/83/09/383628309.db2.gz UIWIUPAENFORTC-UHFFFAOYSA-N 0 1 270.336 2.839 20 30 CFEDMN CO[C@@H]1[C@@H](C)[C@H](NCc2cccc(F)c2C#N)C1(C)C ZINC000451499035 383628752 /nfs/dbraw/zinc/62/87/52/383628752.db2.gz LADHJQXPGNLFJB-NZVBXONLSA-N 0 1 276.355 2.846 20 30 CFEDMN CO[C@H]1C[C@@H](NCc2cccc(F)c2C#N)C1(C)C ZINC000451511213 383632682 /nfs/dbraw/zinc/63/26/82/383632682.db2.gz VYCFJBJYGCBYKW-KGLIPLIRSA-N 0 1 262.328 2.600 20 30 CFEDMN CO[C@@H]1C[C@H](NCc2cccc(F)c2C#N)C1(C)C ZINC000451511214 383633056 /nfs/dbraw/zinc/63/30/56/383633056.db2.gz VYCFJBJYGCBYKW-UONOGXRCSA-N 0 1 262.328 2.600 20 30 CFEDMN CCO[C@H]1CCN(Cc2cc(C#N)ccc2F)C[C@H]1C ZINC000451525965 383635603 /nfs/dbraw/zinc/63/56/03/383635603.db2.gz MXMRFZBIPIYOMU-WBMJQRKESA-N 0 1 276.355 2.944 20 30 CFEDMN N#C[C@H](C(=O)NC1CCCCC1)C(=O)[C@@H]1CCCC12CC2 ZINC000528916186 383676160 /nfs/dbraw/zinc/67/61/60/383676160.db2.gz DKVTUFBSLOCRQN-KBPBESRZSA-N 0 1 288.391 2.724 20 30 CFEDMN C[C@H](CC#N)N(C)C(=O)C(C#N)CCc1ccccc1 ZINC000433342230 383761648 /nfs/dbraw/zinc/76/16/48/383761648.db2.gz KELVFTKJNDVOMN-HIFRSBDPSA-N 0 1 269.348 2.520 20 30 CFEDMN C=CCC(C)(C)CNC(=O)[C@H]1CCN1C1CCCC1 ZINC000635959113 383670663 /nfs/dbraw/zinc/67/06/63/383670663.db2.gz CNSNCIRMYWFWLQ-CQSZACIVSA-N 0 1 264.413 2.722 20 30 CFEDMN C=C[C@@](C)(O)CC(=O)Nc1[nH]nc(-c2ccc(C)o2)c1C ZINC000280979522 195055822 /nfs/dbraw/zinc/05/58/22/195055822.db2.gz LCSCSJDQCIPOCU-OAHLLOKOSA-N 0 1 289.335 2.552 20 30 CFEDMN C=CCOc1cccc(CNCc2cnn(CC)c2)c1 ZINC000265561080 383945518 /nfs/dbraw/zinc/94/55/18/383945518.db2.gz VHXKQUPOGOYMLI-UHFFFAOYSA-N 0 1 271.364 2.758 20 30 CFEDMN N#Cc1c2c(cnc1N[C@H]1CCCc3cn[nH]c31)CCC2 ZINC000573598777 383957890 /nfs/dbraw/zinc/95/78/90/383957890.db2.gz HOSAZFITJYIEIO-AWEZNQCLSA-N 0 1 279.347 2.655 20 30 CFEDMN COc1ccc(C#N)cc1CN1CCC[C@H]2COCC[C@H]21 ZINC000438524574 384015551 /nfs/dbraw/zinc/01/55/51/384015551.db2.gz RRFBWCNOTVABLN-GOEBONIOSA-N 0 1 286.375 2.568 20 30 CFEDMN C[C@@H](NCc1ccc(C#N)o1)c1ccc2c(c1)CCC(=O)N2 ZINC000266227333 384121318 /nfs/dbraw/zinc/12/13/18/384121318.db2.gz SVSGZLMDTMRTIZ-LLVKDONJSA-N 0 1 295.342 2.887 20 30 CFEDMN C=CCN(CC=C)C(=O)[C@H](N)c1ccc(C(F)(F)F)cc1 ZINC000637869240 384235974 /nfs/dbraw/zinc/23/59/74/384235974.db2.gz JMXUAQAOTNRDBL-CYBMUJFWSA-N 0 1 298.308 2.906 20 30 CFEDMN C=CCCCCCN(C)C(=O)[C@H](N)c1cccc(OC)c1 ZINC000638007027 384349662 /nfs/dbraw/zinc/34/96/62/384349662.db2.gz KJYPJAFTANYJMB-MRXNPFEDSA-N 0 1 290.407 2.900 20 30 CFEDMN CC#CC[C@@H](CO)NCc1csc(C(F)(F)F)c1 ZINC000641767884 384334208 /nfs/dbraw/zinc/33/42/08/384334208.db2.gz RWYUVECKGSOKGN-JTQLQIEISA-N 0 1 277.311 2.631 20 30 CFEDMN CC#CC[C@H](CO)NCc1c(Cl)ccc2cccnc21 ZINC000641768022 384334404 /nfs/dbraw/zinc/33/44/04/384334404.db2.gz UNJQJVYNXUSSKQ-CYBMUJFWSA-N 0 1 288.778 2.752 20 30 CFEDMN CC#CC[C@H](CO)NCc1ccc(C)cc1Cl ZINC000641768136 384334621 /nfs/dbraw/zinc/33/46/21/384334621.db2.gz XDGHXZBZYJTIND-CYBMUJFWSA-N 0 1 251.757 2.512 20 30 CFEDMN CC[C@H](C)c1nc([C@@H](C)NC(=O)c2cccc(C#N)c2)n[nH]1 ZINC000277723018 384386532 /nfs/dbraw/zinc/38/65/32/384386532.db2.gz FXTFZVIACBKHPO-WDEREUQCSA-N 0 1 297.362 2.681 20 30 CFEDMN CCC(CC)CN(CCC#N)C(=O)c1cnc(C)[nH]1 ZINC000267960590 384498620 /nfs/dbraw/zinc/49/86/20/384498620.db2.gz AUFMLTJVXYXJAV-UHFFFAOYSA-N 0 1 262.357 2.510 20 30 CFEDMN C=CCCCN1CCOC[C@@H]1C[C@H](O)c1cccs1 ZINC000267904941 384486767 /nfs/dbraw/zinc/48/67/67/384486767.db2.gz KMWRPNVHVBKVJH-KBPBESRZSA-N 0 1 281.421 2.839 20 30 CFEDMN CC1(C)CN(Cc2ccc(C#N)cc2)[C@H]1[C@H]1CCCO1 ZINC000289369555 197314660 /nfs/dbraw/zinc/31/46/60/197314660.db2.gz AQNBOEMXKZKSBU-CVEARBPZSA-N 0 1 270.376 2.948 20 30 CFEDMN C=CCN1CC[C@H](N(C)CCc2ccc(Cl)cc2)C1=O ZINC000281146682 195122361 /nfs/dbraw/zinc/12/23/61/195122361.db2.gz BBVRJCHDNCMXGN-HNNXBMFYSA-N 0 1 292.810 2.601 20 30 CFEDMN C=CCN(C[C@@H]1CC(C)=C[C@@H](C)C1)[C@H]1CCS(=O)(=O)C1 ZINC000278489086 384586319 /nfs/dbraw/zinc/58/63/19/384586319.db2.gz BHLLRFVPMAYVBX-KBMXLJTQSA-N 0 1 297.464 2.654 20 30 CFEDMN COCC#CCN(C)[C@H]1CCCC[C@H]1C(F)(F)F ZINC000643402985 384626628 /nfs/dbraw/zinc/62/66/28/384626628.db2.gz MSJPFHURLQQXIU-NEPJUHHUSA-N 0 1 263.303 2.689 20 30 CFEDMN C[C@H](O)C[C@@H]1CCCC[N@H+]1CCOc1ccccc1C#N ZINC000279707000 384729155 /nfs/dbraw/zinc/72/91/55/384729155.db2.gz HQTKZZFHTSSWLN-HOCLYGCPSA-N 0 1 288.391 2.562 20 30 CFEDMN CCC#C[C@H](C)N[C@@H](CO)c1ccc(Br)cc1 ZINC000644714255 385014659 /nfs/dbraw/zinc/01/46/59/385014659.db2.gz SCZDAJIVFHEANY-FZMZJTMJSA-N 0 1 296.208 2.874 20 30 CFEDMN C#CC[C@H](NC(=O)CN1CCC(C)CC1)c1ccccc1 ZINC000270415541 385095475 /nfs/dbraw/zinc/09/54/75/385095475.db2.gz FJJVNPZKMRZHRP-KRWDZBQOSA-N 0 1 284.403 2.599 20 30 CFEDMN C=CCOCCN1CCN(c2ccccc2F)C[C@H]1C ZINC000645130165 385205129 /nfs/dbraw/zinc/20/51/29/385205129.db2.gz SIUUJFSEGSGBRV-CQSZACIVSA-N 0 1 278.371 2.539 20 30 CFEDMN CC[C@H]1CN(CC#Cc2ccc(C(F)(F)F)cc2)C[C@H]1O ZINC000270941983 385276245 /nfs/dbraw/zinc/27/62/45/385276245.db2.gz RRBAVZHIRXPEGB-DZGCQCFKSA-N 0 1 297.320 2.760 20 30 CFEDMN CO[C@@H]1CCN(Cc2ccc(C#N)s2)[C@H](C)C1 ZINC000282357721 385292123 /nfs/dbraw/zinc/29/21/23/385292123.db2.gz POPAIWJYFGPLRS-GHMZBOCLSA-N 0 1 250.367 2.619 20 30 CFEDMN C=CCn1c([C@@H](C)CC)nnc1N1CCN(C(C)C)CC1 ZINC000282399250 385300952 /nfs/dbraw/zinc/30/09/52/385300952.db2.gz WLMMOOBTZYSBGD-AWEZNQCLSA-N 0 1 291.443 2.508 20 30 CFEDMN CN(CCC#N)c1ccc(CN2CCO[C@@H]3CCC[C@@H]32)cc1 ZINC000271109931 385338403 /nfs/dbraw/zinc/33/84/03/385338403.db2.gz CUHIMKSEEXWWHE-ZWKOTPCHSA-N 0 1 299.418 2.790 20 30 CFEDMN C#CCN(CC)Cc1c[nH]nc1-c1ccc(F)cc1 ZINC000271150910 385351168 /nfs/dbraw/zinc/35/11/68/385351168.db2.gz UHZRFWIIIRXBHF-UHFFFAOYSA-N 0 1 257.312 2.671 20 30 CFEDMN C=C1CCN(Cc2c[nH]nc2-c2ccc3c(c2)OCO3)CC1 ZINC000271151420 385351781 /nfs/dbraw/zinc/35/17/81/385351781.db2.gz FAUDXBWJNAZKIL-UHFFFAOYSA-N 0 1 297.358 2.957 20 30 CFEDMN CCc1nc([C@@H](C)N[C@@H](C)c2ccc(C#N)c(F)c2)n[nH]1 ZINC000271947782 385408227 /nfs/dbraw/zinc/40/82/27/385408227.db2.gz NWBTXPROKOEMMJ-VHSXEESVSA-N 0 1 287.342 2.790 20 30 CFEDMN C=CCSCCNC(=O)c1cccc2nc(C)[nH]c21 ZINC000283606821 385480386 /nfs/dbraw/zinc/48/03/86/385480386.db2.gz YYOZJOOKMYHHDB-UHFFFAOYSA-N 0 1 275.377 2.520 20 30 CFEDMN N#Cc1ccc(N2CCN([C@H]3C=CCCCCC3)CC2)nc1 ZINC000283953628 385518308 /nfs/dbraw/zinc/51/83/08/385518308.db2.gz HQLVDASHPFILPD-KRWDZBQOSA-N 0 1 296.418 2.964 20 30 CFEDMN C=CCN(CCc1ccco1)C(=O)[C@@H]1CCCc2[nH]ncc21 ZINC000272418802 385532134 /nfs/dbraw/zinc/53/21/34/385532134.db2.gz GJJFRQJYNJOACK-CQSZACIVSA-N 0 1 299.374 2.680 20 30 CFEDMN C=CCC[C@@H](N[C@@H](C)CS(=O)(=O)CC)c1ccco1 ZINC000286112250 385560184 /nfs/dbraw/zinc/56/01/84/385560184.db2.gz NTNTUPRHNNRLDM-QWHCGFSZSA-N 0 1 285.409 2.700 20 30 CFEDMN C=CCCCCC[N@H+](C)[C@@H]1CCN(C2CCC2)C1=O ZINC000639496650 385560276 /nfs/dbraw/zinc/56/02/76/385560276.db2.gz VQEXCGIGOZDOCR-OAHLLOKOSA-N 0 1 264.413 2.818 20 30 CFEDMN C=C(C)[C@H](CC(=O)Nc1cc(C(C)=O)ccc1O)OCC ZINC000272673434 385585989 /nfs/dbraw/zinc/58/59/89/385585989.db2.gz LCVGCIATDPZHIG-HNNXBMFYSA-N 0 1 291.347 2.905 20 30 CFEDMN C#CC(C)(C)N(C)Cc1nc2ccccc2nc1C ZINC000286317497 385589094 /nfs/dbraw/zinc/58/90/94/385589094.db2.gz WKEVBNLHPFSFHB-UHFFFAOYSA-N 0 1 253.349 2.782 20 30 CFEDMN CCN(Cc1ccc(C#N)cc1F)C[C@H](C)OC ZINC000272809040 385621855 /nfs/dbraw/zinc/62/18/55/385621855.db2.gz MUYCKUHNWYRGLE-NSHDSACASA-N 0 1 250.317 2.554 20 30 CFEDMN Cc1cc([C@H]2CCCN(c3snc(C)c3C#N)C2)[nH]n1 ZINC000286454588 385625551 /nfs/dbraw/zinc/62/55/51/385625551.db2.gz NKDFZBIHZSELLT-NSHDSACASA-N 0 1 287.392 2.739 20 30 CFEDMN C#CCN(Cc1cn(C)nc1-c1ccccc1)C1CC1 ZINC000274091022 385717241 /nfs/dbraw/zinc/71/72/41/385717241.db2.gz INJMKXHZFBUPRG-UHFFFAOYSA-N 0 1 265.360 2.685 20 30 CFEDMN CC#CCCN1CCc2c(ncn2-c2ccccc2)C1 ZINC000274221331 385742762 /nfs/dbraw/zinc/74/27/62/385742762.db2.gz ZAXIBTUNJPMVMO-UHFFFAOYSA-N 0 1 265.360 2.644 20 30 CFEDMN CCOC1CC([N@@H+](C)Cc2ccc(C#N)cc2F)C1 ZINC000287054507 385771016 /nfs/dbraw/zinc/77/10/16/385771016.db2.gz UPHJBESLLXPPKA-UHFFFAOYSA-N 0 1 262.328 2.697 20 30 CFEDMN CCOC1CC(N(C)Cc2ccc(C#N)cc2F)C1 ZINC000287054507 385771021 /nfs/dbraw/zinc/77/10/21/385771021.db2.gz UPHJBESLLXPPKA-UHFFFAOYSA-N 0 1 262.328 2.697 20 30 CFEDMN C=CCCCCNC(=O)N[C@@H](C)c1n[nH]c(C(C)C)n1 ZINC000274682717 385849114 /nfs/dbraw/zinc/84/91/14/385849114.db2.gz RUOBPUJGURBVAI-NSHDSACASA-N 0 1 279.388 2.645 20 30 CFEDMN C=C(C)CC[N@@H+]1CCCN(c2nc(CC)ns2)CC1 ZINC000274753874 385863724 /nfs/dbraw/zinc/86/37/24/385863724.db2.gz BRZNPMPJOVMNAB-UHFFFAOYSA-N 0 1 280.441 2.579 20 30 CFEDMN C=CCN1CCN(c2cncc3ccccc32)CC1 ZINC000276492919 385989243 /nfs/dbraw/zinc/98/92/43/385989243.db2.gz VYDXOUWCLDDSII-UHFFFAOYSA-N 0 1 253.349 2.543 20 30 CFEDMN C[C@@H](NCc1cc(C#N)n(C)c1)c1ccccc1[N+](=O)[O-] ZINC000276651380 386003056 /nfs/dbraw/zinc/00/30/56/386003056.db2.gz TWYHTXCJOSUVMR-LLVKDONJSA-N 0 1 284.319 2.656 20 30 CFEDMN CCC#C[C@H](C)N1CCC([C@](C)(O)C(F)(F)F)CC1 ZINC000681034735 542402729 /nfs/dbraw/zinc/40/27/29/542402729.db2.gz KVQLJCCRLVKEKG-AAEUAGOBSA-N 0 1 277.330 2.814 20 30 CFEDMN C=CCN1CC[C@@H](N[C@H](C)c2ccc(F)c(C)c2)C1=O ZINC000281210395 195151437 /nfs/dbraw/zinc/15/14/37/195151437.db2.gz NTDSIEMWVVQMFU-IUODEOHRSA-N 0 1 276.355 2.572 20 30 CFEDMN C=C(C)CCN1CCN(C(=O)CC(C)(C)C)CC1 ZINC000681401125 542448254 /nfs/dbraw/zinc/44/82/54/542448254.db2.gz NVWWDSCTSQYQGS-UHFFFAOYSA-N 0 1 252.402 2.533 20 30 CFEDMN C=CC[C@@H](C)NC(=O)[C@@H]1CCC[N@H+]1Cc1ccccc1 ZINC000116855044 260003016 /nfs/dbraw/zinc/00/30/16/260003016.db2.gz XZFSKYVLYKOMNY-ZBFHGGJFSA-N 0 1 272.392 2.732 20 30 CFEDMN C=CC[C@@H](C)NC(=O)[C@@H]1CCCN1Cc1ccccc1 ZINC000116855044 260003019 /nfs/dbraw/zinc/00/30/19/260003019.db2.gz XZFSKYVLYKOMNY-ZBFHGGJFSA-N 0 1 272.392 2.732 20 30 CFEDMN C#CCN(C)[C@@H]1CCOc2ccc(Br)cc21 ZINC000365205769 262351413 /nfs/dbraw/zinc/35/14/13/262351413.db2.gz DIJWQBQXWASZBQ-GFCCVEGCSA-N 0 1 280.165 2.838 20 30 CFEDMN Cc1cc(O)ccc1-c1cc2[nH]cnc2c(C#N)n1 ZINC001240639096 781993041 /nfs/dbraw/zinc/99/30/41/781993041.db2.gz JADCCBVCULPIQS-UHFFFAOYSA-N 0 1 250.261 2.511 20 30 CFEDMN C=CCN1CC[C@H](N([C@H](C)c2ccccc2)C2CC2)C1=O ZINC000281638243 195317375 /nfs/dbraw/zinc/31/73/75/195317375.db2.gz BVGQACLMNJNDOS-PBHICJAKSA-N 0 1 284.403 2.999 20 30 CFEDMN COc1cc(CNCc2ccccc2N(C)C)ccc1C#N ZINC000281648892 195321377 /nfs/dbraw/zinc/32/13/77/195321377.db2.gz JSDUDXZARKYXSB-UHFFFAOYSA-N 0 1 295.386 2.923 20 30 CFEDMN C[C@@H](NCc1cccc(OCCCC#N)c1)c1cnn(C)c1 ZINC000344558819 533456164 /nfs/dbraw/zinc/45/61/64/533456164.db2.gz YZHCNXSIONXWRH-CQSZACIVSA-N 0 1 298.390 2.953 20 30 CFEDMN C=CCN(CCOC)Cc1nccc2ccccc21 ZINC000683001598 542625223 /nfs/dbraw/zinc/62/52/23/542625223.db2.gz URLIEACYYHMPRP-UHFFFAOYSA-N 0 1 256.349 2.869 20 30 CFEDMN C=CCCC(=O)NC[C@@H](C)N1CCc2ccccc2C1 ZINC000263716233 131315276 /nfs/dbraw/zinc/31/52/76/131315276.db2.gz XDQSZDVNRQBDAB-CQSZACIVSA-N 0 1 272.392 2.516 20 30 CFEDMN C=CCNC(=O)CN(C)CCc1cccc2ccccc21 ZINC000263764911 131325541 /nfs/dbraw/zinc/32/55/41/131325541.db2.gz VJLTXPRWIMBKKO-UHFFFAOYSA-N 0 1 282.387 2.616 20 30 CFEDMN C=C(C)CN(CC)C(=O)c1cc(C)cc2c[nH]nc21 ZINC000263964374 131369859 /nfs/dbraw/zinc/36/98/59/131369859.db2.gz FXKDHFPEEFBHFX-UHFFFAOYSA-N 0 1 257.337 2.910 20 30 CFEDMN C=C(Cl)CNCc1cc(C)c(OCC(=O)OC)c(C)c1 ZINC000268629909 132038676 /nfs/dbraw/zinc/03/86/76/132038676.db2.gz DTWHQFTXUIPXSV-UHFFFAOYSA-N 0 1 297.782 2.697 20 30 CFEDMN N#Cc1ccc(N[C@@H]2CCCc3cn[nH]c32)c([N+](=O)[O-])c1 ZINC000268792517 132066306 /nfs/dbraw/zinc/06/63/06/132066306.db2.gz AOZJMVAKTJRFAK-GFCCVEGCSA-N 0 1 283.291 2.679 20 30 CFEDMN C=C(C)[C@@H](CO)N1CCC(C(=O)c2ccc(F)cc2)CC1 ZINC000684002949 542755802 /nfs/dbraw/zinc/75/58/02/542755802.db2.gz PUVDXBXKIHHDHU-MRXNPFEDSA-N 0 1 291.366 2.657 20 30 CFEDMN C#CCCN[C@@H](c1nnc[nH]1)c1cccc(C(F)(F)F)c1 ZINC000372634203 393452035 /nfs/dbraw/zinc/45/20/35/393452035.db2.gz VVZOAAPAQYEAGX-GFCCVEGCSA-N 0 1 294.280 2.526 20 30 CFEDMN N#CCSCCCN1CCC[C@@H]1c1nccs1 ZINC000374095200 393482775 /nfs/dbraw/zinc/48/27/75/393482775.db2.gz CQIBQTGJQGCDLT-LLVKDONJSA-N 0 1 267.423 2.927 20 30 CFEDMN C=C(Br)CN[C@@H]1c2ccccc2CC[C@H]1CO ZINC000373805284 393473105 /nfs/dbraw/zinc/47/31/05/393473105.db2.gz CCMXPQBPQCUNCV-JSGCOSHPSA-N 0 1 296.208 2.781 20 30 CFEDMN C=C(Cl)CN1CC[C@H](C(=O)N(C)c2ccccc2)C1 ZINC000374046131 393478770 /nfs/dbraw/zinc/47/87/70/393478770.db2.gz QZDOEOZIXDVTNR-ZDUSSCGKSA-N 0 1 278.783 2.724 20 30 CFEDMN C[C@@H]1OCC[C@@]1(C)NC(=O)Cc1[nH]nc2ccccc21 ZINC000329515088 393540164 /nfs/dbraw/zinc/54/01/64/393540164.db2.gz OKIJARBYMGHEHJ-ZUZCIYMTSA-N 0 1 273.336 2.629 20 30 CFEDMN CCc1noc(C)c1C(=O)NCCN1CC=C(C)CC1 ZINC000329507168 393540769 /nfs/dbraw/zinc/54/07/69/393540769.db2.gz ATSAEHMFTAXHMD-UHFFFAOYSA-N 0 1 277.368 2.502 20 30 CFEDMN CCc1noc(C)c1C(=O)Nc1nc(C2CCC2)n[nH]1 ZINC000329517380 393540782 /nfs/dbraw/zinc/54/07/82/393540782.db2.gz NDCDXQQCQYHTFP-UHFFFAOYSA-N 0 1 275.312 2.567 20 30 CFEDMN CCc1noc(C)c1C(=O)Nc1n[nH]c(C2CCC2)n1 ZINC000329517380 393540787 /nfs/dbraw/zinc/54/07/87/393540787.db2.gz NDCDXQQCQYHTFP-UHFFFAOYSA-N 0 1 275.312 2.567 20 30 CFEDMN COC[C@@H]1CCCCN1Cc1cc(C#N)ccc1OC ZINC000307764521 393514775 /nfs/dbraw/zinc/51/47/75/393514775.db2.gz MQUIGFSHPXBLAI-HNNXBMFYSA-N 0 1 274.364 2.568 20 30 CFEDMN O=C(N[C@@H]1CCc2nc[nH]c2C1)C1Cc2ccccc2C1 ZINC000329636774 393545529 /nfs/dbraw/zinc/54/55/29/393545529.db2.gz YILRNVQFYXHPIP-CQSZACIVSA-N 0 1 281.359 2.639 20 30 CFEDMN C[C@H]1CC[C@H](C)N1CC(=O)Nc1cccc2c1OCO2 ZINC000329465908 393535998 /nfs/dbraw/zinc/53/59/98/393535998.db2.gz RPXYOGYNUGAJFF-QWRGUYRKSA-N 0 1 276.336 2.876 20 30 CFEDMN CCN(Cc1ccc(C#N)cc1C)C[C@@H](O)C(F)(F)F ZINC000189506814 393572990 /nfs/dbraw/zinc/57/29/90/393572990.db2.gz QBXROJAYKJVDBX-CYBMUJFWSA-N 0 1 286.297 2.612 20 30 CFEDMN COc1cc(Cl)ccc1CNCc1cc(C#N)n(C)c1 ZINC000190985449 393585995 /nfs/dbraw/zinc/58/59/95/393585995.db2.gz HUVVITVQTBMRAQ-UHFFFAOYSA-N 0 1 289.766 2.849 20 30 CFEDMN CN1CCC[C@@H]1C(=O)NC1(C#N)CCC(C(C)(C)C)CC1 ZINC000408282185 393625893 /nfs/dbraw/zinc/62/58/93/393625893.db2.gz ZCVFIKVUEMCZTK-XOYHFGRZSA-N 0 1 291.439 2.695 20 30 CFEDMN C=CC1CCN(C(=O)c2cc3[nH]cnc3cc2F)CC1 ZINC000335116164 393644560 /nfs/dbraw/zinc/64/45/60/393644560.db2.gz WWIUWAPXASBXKL-UHFFFAOYSA-N 0 1 273.311 2.740 20 30 CFEDMN N#CC1(CCN2CCO[C@@]3(CCCOC3)C2)CCCCC1 ZINC000411717911 393741222 /nfs/dbraw/zinc/74/12/22/393741222.db2.gz ILLOYPKSJFVQRB-KRWDZBQOSA-N 0 1 292.423 2.732 20 30 CFEDMN COCC1(C#N)CCN([C@@H]2C[C@H]2c2cccc(F)c2)CC1 ZINC000411771703 393746804 /nfs/dbraw/zinc/74/68/04/393746804.db2.gz UPFDYFKLSGFWDS-JKSUJKDBSA-N 0 1 288.366 2.934 20 30 CFEDMN C=CC[C@@H](Cc1ccccc1)NC(=O)c1[nH]nc2c1CCC2 ZINC000412840025 393774073 /nfs/dbraw/zinc/77/40/73/393774073.db2.gz NAEYOUJGQSOMDY-AWEZNQCLSA-N 0 1 295.386 2.816 20 30 CFEDMN C[C@H](C#N)CN(CCCCCn1cccn1)C1CC1 ZINC000338351214 393783051 /nfs/dbraw/zinc/78/30/51/393783051.db2.gz NVAHVZDMLWETDB-CQSZACIVSA-N 0 1 260.385 2.677 20 30 CFEDMN C=CCOCCSc1nc(-c2ccc(OC)cc2)n[nH]1 ZINC000338522670 393790126 /nfs/dbraw/zinc/79/01/26/393790126.db2.gz DAPLDBLAHYQLNK-UHFFFAOYSA-N 0 1 291.376 2.775 20 30 CFEDMN C[C@H]1OCCN(Cc2ccc(N(C)CCC#N)cc2)[C@@H]1C ZINC000093418404 393799224 /nfs/dbraw/zinc/79/92/24/393799224.db2.gz PSFXBOCPLBVBIP-HUUCEWRRSA-N 0 1 287.407 2.646 20 30 CFEDMN C=CCOCCN1CCN(C/C=C\c2ccccc2)CC1 ZINC000338905485 393804545 /nfs/dbraw/zinc/80/45/45/393804545.db2.gz XAGJPWQXYDCXTH-TWGQIWQCSA-N 0 1 286.419 2.520 20 30 CFEDMN C=CCOCCN1CCc2c(Cl)cccc2C1 ZINC000339002657 393808609 /nfs/dbraw/zinc/80/86/09/393808609.db2.gz AVGWXUHRXRLAAM-UHFFFAOYSA-N 0 1 251.757 2.901 20 30 CFEDMN COCC1(C#N)CCN(Cc2ccsc2)CC1 ZINC000342835412 393871851 /nfs/dbraw/zinc/87/18/51/393871851.db2.gz FLVNELBLNUMZTR-UHFFFAOYSA-N 0 1 250.367 2.500 20 30 CFEDMN COC(=O)C1CCN([C@H](C)c2ccc(C#N)cc2)CC1 ZINC000118390507 393910935 /nfs/dbraw/zinc/91/09/35/393910935.db2.gz JCGONHQSGFTBPE-GFCCVEGCSA-N 0 1 272.348 2.504 20 30 CFEDMN CC(C)(C)c1ncc(CNCC2(CC#N)CC2)cn1 ZINC000342861596 393872529 /nfs/dbraw/zinc/87/25/29/393872529.db2.gz RMYDVOSIOKTYKT-UHFFFAOYSA-N 0 1 258.369 2.558 20 30 CFEDMN C=CCC[C@@H](C(=O)NCc1cnc[nH]1)c1ccccc1 ZINC000427454954 393893390 /nfs/dbraw/zinc/89/33/90/393893390.db2.gz GFNZRGFRUDIWPG-OAHLLOKOSA-N 0 1 269.348 2.776 20 30 CFEDMN C[C@H]1CC[C@H](N(CCO)Cc2cccc(F)c2C#N)C1 ZINC000428973367 393928865 /nfs/dbraw/zinc/92/88/65/393928865.db2.gz YMGRVVOOZZUFHU-JSGCOSHPSA-N 0 1 276.355 2.680 20 30 CFEDMN CC[C@H](C#N)S(=O)(=O)Nc1ccc(C(=O)C(C)C)cc1 ZINC000416960941 393946722 /nfs/dbraw/zinc/94/67/22/393946722.db2.gz OWHQCCPGOHNIBG-CYBMUJFWSA-N 0 1 294.376 2.569 20 30 CFEDMN C=CCCC[N@H+](C)CC(=O)Nc1cc(C(C)(C)C)no1 ZINC000121067654 393948020 /nfs/dbraw/zinc/94/80/20/393948020.db2.gz HFCWLYQRWBCNDG-UHFFFAOYSA-N 0 1 279.384 2.809 20 30 CFEDMN C=CCCCN(C)CC(=O)Nc1cc(C(C)(C)C)no1 ZINC000121067654 393948023 /nfs/dbraw/zinc/94/80/23/393948023.db2.gz HFCWLYQRWBCNDG-UHFFFAOYSA-N 0 1 279.384 2.809 20 30 CFEDMN Cc1ccc(CCCN2CCC(F)(C#N)CC2)cn1 ZINC000348709366 393957737 /nfs/dbraw/zinc/95/77/37/393957737.db2.gz MJNCOVOZNSAFKU-UHFFFAOYSA-N 0 1 261.344 2.650 20 30 CFEDMN C[C@H](N[C@@H]1CC[C@H](C#N)C1)c1nc2c(s1)CCC2 ZINC000349312755 393967452 /nfs/dbraw/zinc/96/74/52/393967452.db2.gz MZXKDCXJYGXIMD-GARJFASQSA-N 0 1 261.394 2.975 20 30 CFEDMN CN(Cc1cccc(C#N)c1)Cc1cc(O)ccc1[N+](=O)[O-] ZINC000349734926 393973223 /nfs/dbraw/zinc/97/32/23/393973223.db2.gz VTJTVRWDOMUSBF-UHFFFAOYSA-N 0 1 297.314 2.804 20 30 CFEDMN C#C[C@H](C)N(C)Cc1ccc(C(=O)OC)c(Cl)c1 ZINC000491251894 394046697 /nfs/dbraw/zinc/04/66/97/394046697.db2.gz CWZNSQGLDGEZIW-JTQLQIEISA-N 0 1 265.740 2.580 20 30 CFEDMN C#C[C@@H](CC)NCc1cn(C)nc1C1CCCCC1 ZINC000491536121 394052597 /nfs/dbraw/zinc/05/25/97/394052597.db2.gz HXBYIXDKHKSWIY-HNNXBMFYSA-N 0 1 259.397 2.969 20 30 CFEDMN CC1=C(C)CN([C@@H]2CCN(c3ccc(C#N)cc3)C2=O)CC1 ZINC000280781465 394074165 /nfs/dbraw/zinc/07/41/65/394074165.db2.gz QCHQLKRRYPHTPG-QGZVFWFLSA-N 0 1 295.386 2.706 20 30 CFEDMN C=CCN1CC[C@H](N(C)[C@H](C)c2ccc(F)cc2)C1=O ZINC000281921571 394094483 /nfs/dbraw/zinc/09/44/83/394094483.db2.gz HHRJDGADWAEDPD-DOMZBBRYSA-N 0 1 276.355 2.605 20 30 CFEDMN C=CCN1CC[C@@H]([N@@H+]2CCC[C@H]2c2cccc(C)c2)C1=O ZINC000281990105 394106335 /nfs/dbraw/zinc/10/63/35/394106335.db2.gz MTXUHUOXBWGHNV-DLBZAZTESA-N 0 1 284.403 2.919 20 30 CFEDMN CC(C)n1nccc1-c1nc2ccc(C#N)cc2[nH]1 ZINC000358847124 394113358 /nfs/dbraw/zinc/11/33/58/394113358.db2.gz LUFKDJSSROUMFB-UHFFFAOYSA-N 0 1 251.293 2.879 20 30 CFEDMN CC(C)N(Cc1ccc(C#N)cc1Cl)C[C@@H](C)O ZINC000439429140 394114388 /nfs/dbraw/zinc/11/43/88/394114388.db2.gz DWLJWRZUALSWMC-LLVKDONJSA-N 0 1 266.772 2.803 20 30 CFEDMN C=CCN1CC[C@@H](N(CC)[C@H](C)c2ccc(C#N)cc2)C1=O ZINC000282052899 394117104 /nfs/dbraw/zinc/11/71/04/394117104.db2.gz RSMNDGQXFGIHBP-RHSMWYFYSA-N 0 1 297.402 2.728 20 30 CFEDMN Cc1ncccc1C[N@@H+](C)Cc1ccc(C#N)cc1 ZINC000131200068 394128133 /nfs/dbraw/zinc/12/81/33/394128133.db2.gz NGOABBHXDTWFLC-UHFFFAOYSA-N 0 1 251.333 2.894 20 30 CFEDMN Cc1ncccc1CN(C)Cc1ccc(C#N)cc1 ZINC000131200068 394128134 /nfs/dbraw/zinc/12/81/34/394128134.db2.gz NGOABBHXDTWFLC-UHFFFAOYSA-N 0 1 251.333 2.894 20 30 CFEDMN C#CCCN(C)[C@@]1(c2ccccc2)CCCCC1=O ZINC000284079087 394135264 /nfs/dbraw/zinc/13/52/64/394135264.db2.gz LGCGEQYLHVBBSP-QGZVFWFLSA-N 0 1 255.361 2.980 20 30 CFEDMN CC#CCN1CCC[C@H]1c1cc(OC)c(OC)c(OC)c1 ZINC000361123031 394165969 /nfs/dbraw/zinc/16/59/69/394165969.db2.gz LQBOPWGWHYOEOP-AWEZNQCLSA-N 0 1 289.375 2.873 20 30 CFEDMN C=C(C)CN(CC)C(=O)[C@H](C)N[C@@H](C)c1cncc(F)c1 ZINC000361130227 394167059 /nfs/dbraw/zinc/16/70/59/394167059.db2.gz FWTKAHLOJMWLLK-STQMWFEESA-N 0 1 293.386 2.684 20 30 CFEDMN Cn1nc2c(c1CNCc1ccc(C#N)c(F)c1)CCCC2 ZINC000421355891 394197395 /nfs/dbraw/zinc/19/73/95/394197395.db2.gz JZLSWLXVYRZIOI-UHFFFAOYSA-N 0 1 298.365 2.599 20 30 CFEDMN COc1ccc(CN2CCS[C@@H](C)[C@H]2C)cc1C#N ZINC000135087707 394211196 /nfs/dbraw/zinc/21/11/96/394211196.db2.gz ZIAQWGFZZLMUEE-NEPJUHHUSA-N 0 1 276.405 2.893 20 30 CFEDMN CC[C@@]1(C)CN(CCCOc2cccc(C#N)c2)CCO1 ZINC000135737848 394225950 /nfs/dbraw/zinc/22/59/50/394225950.db2.gz SDCHNTWVHVDZID-KRWDZBQOSA-N 0 1 288.391 2.828 20 30 CFEDMN CN(Cc1ccc(F)cc1C#N)[C@@H](CO)C(C)(C)C ZINC000134375101 394194758 /nfs/dbraw/zinc/19/47/58/394194758.db2.gz XYFDESTVYKHFPZ-AWEZNQCLSA-N 0 1 264.344 2.536 20 30 CFEDMN N#Cc1ccccc1COc1ccccc1-c1nnc[nH]1 ZINC000158106736 394354646 /nfs/dbraw/zinc/35/46/46/394354646.db2.gz ICVPKLRWSHSJKA-UHFFFAOYSA-N 0 1 276.299 2.922 20 30 CFEDMN N#Cc1ccc(NC(=O)CCN2CC[C@H](F)C2)cc1Cl ZINC000451195916 394367549 /nfs/dbraw/zinc/36/75/49/394367549.db2.gz MLTFFXBSONATPT-NSHDSACASA-N 0 1 295.745 2.584 20 30 CFEDMN CCc1ccc(N2CCN(CCCC#N)CC2)cc1 ZINC000174315058 394378399 /nfs/dbraw/zinc/37/83/99/394378399.db2.gz OTGCOCQDYZDKRC-UHFFFAOYSA-N 0 1 257.381 2.675 20 30 CFEDMN CC[C@H]1CCCN(Cc2cccc(C(=O)OC)c2C#N)C1 ZINC000535221455 394533613 /nfs/dbraw/zinc/53/36/13/394533613.db2.gz TXXXWIQAWUTXSE-ZDUSSCGKSA-N 0 1 286.375 2.967 20 30 CFEDMN COC(=O)c1cccc(CN2CC[C@@H](C)[C@@H](C)C2)c1C#N ZINC000535756066 394542830 /nfs/dbraw/zinc/54/28/30/394542830.db2.gz QPQFYPKBAUKQFW-OLZOCXBDSA-N 0 1 286.375 2.823 20 30 CFEDMN Cc1[nH]nc2cc(NC(=O)Cc3cccc(C#N)c3)ccc12 ZINC000538806301 394616162 /nfs/dbraw/zinc/61/61/62/394616162.db2.gz SETBUWUNCBGLDL-UHFFFAOYSA-N 0 1 290.326 2.924 20 30 CFEDMN C[C@H](NC(=O)c1ccc2cncn2c1)c1cccc(C#N)c1 ZINC000585699750 395101149 /nfs/dbraw/zinc/10/11/49/395101149.db2.gz JCXRDRJXVWRHNL-LBPRGKRZSA-N 0 1 290.326 2.697 20 30 CFEDMN C[C@@H](c1ccc(C#N)cc1)N1CC[C@H](OC(F)F)C1 ZINC000558867297 395078076 /nfs/dbraw/zinc/07/80/76/395078076.db2.gz LRPTXGNWGVPVRY-GWCFXTLKSA-N 0 1 266.291 2.933 20 30 CFEDMN C=C[C@@H]1OCC[C@H]1N[C@H](C)c1nc(C)sc1C ZINC000648745344 395295284 /nfs/dbraw/zinc/29/52/84/395295284.db2.gz NFGZZOFBKXLADJ-FXAINCCUSA-N 0 1 252.383 2.754 20 30 CFEDMN CCn1nccc1C(=O)C(C#N)c1nc(C2CC2)cs1 ZINC000647379278 395320508 /nfs/dbraw/zinc/32/05/08/395320508.db2.gz XBVZWSXMMLQABX-SNVBAGLBSA-N 0 1 286.360 2.727 20 30 CFEDMN C=C(C)[C@H](CO)N(C)Cc1cc(Cl)ccc1OC ZINC000649222741 395454154 /nfs/dbraw/zinc/45/41/54/395454154.db2.gz SCDVGXFFFNIKKC-ZDUSSCGKSA-N 0 1 269.772 2.717 20 30 CFEDMN C=C[C@H](CC(=O)N1C[C@@H](C)N[C@H](C)C1)c1ccccc1 ZINC000649272319 395465944 /nfs/dbraw/zinc/46/59/44/395465944.db2.gz UCBBWSIXDREJHB-RBSFLKMASA-N 0 1 272.392 2.555 20 30 CFEDMN C=C(C)[C@@H](CO)Sc1nc(-c2ccc(OC)cc2)n[nH]1 ZINC000649416342 395489934 /nfs/dbraw/zinc/48/99/34/395489934.db2.gz NSISCNZDTXZOKR-GFCCVEGCSA-N 0 1 291.376 2.509 20 30 CFEDMN C=C(C)[C@H](CO)Sc1nc(C=Cc2ccc(C)o2)n[nH]1 ZINC000649456064 395501167 /nfs/dbraw/zinc/50/11/67/395501167.db2.gz OZDOBWDCBMONDZ-SYTKJHMZSA-N 0 1 291.376 2.906 20 30 CFEDMN C=CCC(CC=C)C(=O)N1[C@H](C)CN(C)[C@@H](C)[C@H]1C ZINC000650153033 395617559 /nfs/dbraw/zinc/61/75/59/395617559.db2.gz NXNRWZNMZKXICG-HZSPNIEDSA-N 0 1 264.413 2.694 20 30 CFEDMN CCN(CC#Cc1ccc(F)cc1)[C@H]1CCCOC1 ZINC000649756338 395566694 /nfs/dbraw/zinc/56/66/94/395566694.db2.gz NIQGHSQDQDXNHH-INIZCTEOSA-N 0 1 261.340 2.678 20 30 CFEDMN C#C[C@H](NCc1cnn(CC(F)(F)F)c1)C(C)(C)C ZINC000491777136 397581882 /nfs/dbraw/zinc/58/18/82/397581882.db2.gz ZDHMMZNSZSZKOS-NSHDSACASA-N 0 1 273.302 2.583 20 30 CFEDMN C=CCOc1cccc(C[N@H+](C)[C@H](CC)C(=O)[O-])c1 ZINC000650807735 413184302 /nfs/dbraw/zinc/18/43/02/413184302.db2.gz HAALTFSJGKKVSQ-CQSZACIVSA-N 0 1 263.337 2.546 20 30 CFEDMN C=CCOc1ccc(C[N@H+](C)[C@@H](CC)C(=O)[O-])cc1OC ZINC000650807753 413184437 /nfs/dbraw/zinc/18/44/37/413184437.db2.gz HLLDGSWWEZGKIJ-ZDUSSCGKSA-N 0 1 293.363 2.555 20 30 CFEDMN C=CC[C@@H]1CCC[N@H+](Cc2ccc(C(=O)[O-])cn2)C1 ZINC000656760502 413191671 /nfs/dbraw/zinc/19/16/71/413191671.db2.gz VQNQOPSYNPSBAO-GFCCVEGCSA-N 0 1 260.337 2.568 20 30 CFEDMN C=C1CCN(C(=O)[C@H](N)c2cccc(Cl)c2)CC1 ZINC000653174260 413228395 /nfs/dbraw/zinc/22/83/95/413228395.db2.gz YCVSDEMULWARPI-CYBMUJFWSA-N 0 1 264.756 2.518 20 30 CFEDMN C[C@@H](CNCc1ccc(C#N)cc1F)C(F)(F)F ZINC000359140004 156001791 /nfs/dbraw/zinc/00/17/91/156001791.db2.gz KABPUBLFUUVQIC-QMMMGPOBSA-N 0 1 260.234 2.985 20 30 CFEDMN C=CCCn1cc(CN(C)[C@H]2CCC[C@@H](C)C2)nn1 ZINC000653496412 413333787 /nfs/dbraw/zinc/33/37/87/413333787.db2.gz PVSKLIKFDSNINY-HIFRSBDPSA-N 0 1 262.401 2.865 20 30 CFEDMN N#Cc1cccc(C[N@H+]2CC[C@H](OCc3ccncc3)C2)c1 ZINC000373915659 157047893 /nfs/dbraw/zinc/04/78/93/157047893.db2.gz JUJPAJGWLQORNE-SFHVURJKSA-N 0 1 293.370 2.744 20 30 CFEDMN N#Cc1cccc(CN2CC[C@H](OCc3ccncc3)C2)c1 ZINC000373915659 157047902 /nfs/dbraw/zinc/04/79/02/157047902.db2.gz JUJPAJGWLQORNE-SFHVURJKSA-N 0 1 293.370 2.744 20 30 CFEDMN N#Cc1c(CN2CCC[C@@]23CCOC3)cn2ccccc12 ZINC000375278296 157217105 /nfs/dbraw/zinc/21/71/05/157217105.db2.gz KWKXMJJHCOMFER-KRWDZBQOSA-N 0 1 281.359 2.566 20 30 CFEDMN N#Cc1ccccc1CN[C@H](c1nnc[nH]1)c1ccccc1 ZINC000375396367 157239067 /nfs/dbraw/zinc/23/90/67/157239067.db2.gz UVCAVNVRTIIERU-INIZCTEOSA-N 0 1 289.342 2.556 20 30 CFEDMN C=CCNc1nnc(S[C@H](C)c2n[nH]c(CC)n2)s1 ZINC000657225953 413345925 /nfs/dbraw/zinc/34/59/25/413345925.db2.gz HWMBCOWIYXANLS-SSDOTTSWSA-N 0 1 296.425 2.670 20 30 CFEDMN C=CCCn1cc(CN2CCCC[C@H]2C(C)C)nn1 ZINC000653557333 413365184 /nfs/dbraw/zinc/36/51/84/413365184.db2.gz NUKNIDRSYOWUMU-HNNXBMFYSA-N 0 1 262.401 2.865 20 30 CFEDMN C=CCCn1cc(CN2CC[C@@H](Cc3ccccc3)C2)nn1 ZINC000653558984 413369585 /nfs/dbraw/zinc/36/95/85/413369585.db2.gz AXOQWHKGSXQEAR-KRWDZBQOSA-N 0 1 296.418 2.919 20 30 CFEDMN C=CCCn1cc(CN2CC[C@H](C(C)(C)C)C2)nn1 ZINC000653613513 413403762 /nfs/dbraw/zinc/40/37/62/413403762.db2.gz ONKLTJOSRPBMFE-ZDUSSCGKSA-N 0 1 262.401 2.722 20 30 CFEDMN C=CCCn1cc(CNCCSc2ccccc2)nn1 ZINC000657292946 413410075 /nfs/dbraw/zinc/41/00/75/413410075.db2.gz GJWYZMGTOXNQDP-UHFFFAOYSA-N 0 1 288.420 2.736 20 30 CFEDMN C=CCCn1cc(CN2CC3(CCC3)C[C@@H]2C)nn1 ZINC000653643112 413423468 /nfs/dbraw/zinc/42/34/68/413423468.db2.gz BGSVCGKPRSMASU-ZDUSSCGKSA-N 0 1 260.385 2.619 20 30 CFEDMN CCO[C@H]1C[C@@H](NCc2nc(C#N)cs2)C12CCCC2 ZINC000352810167 163239384 /nfs/dbraw/zinc/23/93/84/163239384.db2.gz MDPRETPJBJXGNT-OLZOCXBDSA-N 0 1 291.420 2.842 20 30 CFEDMN C[C@@H](NCc1nc(C#N)cs1)[C@H]1COc2ccccc21 ZINC000352820414 163242917 /nfs/dbraw/zinc/24/29/17/163242917.db2.gz CTVJEEWHZBPUAY-ZWNOBZJWSA-N 0 1 285.372 2.669 20 30 CFEDMN Cc1cccc(CCNCc2nc(C#N)cs2)c1 ZINC000352821220 163243470 /nfs/dbraw/zinc/24/34/70/163243470.db2.gz GVSIQEIQKUUGMJ-UHFFFAOYSA-N 0 1 257.362 2.656 20 30 CFEDMN CCO[C@@H](CCNCc1nc(C#N)cs1)C(C)C ZINC000352839968 163249597 /nfs/dbraw/zinc/24/95/97/163249597.db2.gz STQLTVDHRHYBGF-LBPRGKRZSA-N 0 1 267.398 2.556 20 30 CFEDMN C[C@@H](Cc1cccs1)NCc1nc(C#N)cs1 ZINC000352838598 163249916 /nfs/dbraw/zinc/24/99/16/163249916.db2.gz FXJPFPPQMGQNIJ-VIFPVBQESA-N 0 1 263.391 2.797 20 30 CFEDMN N#Cc1ccccc1CN1CC[C@H](COC(F)F)C1 ZINC000353023580 163290245 /nfs/dbraw/zinc/29/02/45/163290245.db2.gz NMDYUSUFTSJNPZ-NSHDSACASA-N 0 1 266.291 2.619 20 30 CFEDMN COc1cc(CNCc2cc(O)cc(F)c2)ccc1C#N ZINC000353218458 163319115 /nfs/dbraw/zinc/31/91/15/163319115.db2.gz JYCSVOJNJAMZFR-UHFFFAOYSA-N 0 1 286.306 2.701 20 30 CFEDMN COc1ccc(CNCc2ccc(C#N)c(OC)c2)cc1O ZINC000353222855 163320049 /nfs/dbraw/zinc/32/00/49/163320049.db2.gz RDHGWCRLIQMJGJ-UHFFFAOYSA-N 0 1 298.342 2.571 20 30 CFEDMN COc1ccsc1CNCc1ccc(C#N)c(OC)c1 ZINC000353238854 163323509 /nfs/dbraw/zinc/32/35/09/163323509.db2.gz FYALDRMGSXGCLX-UHFFFAOYSA-N 0 1 288.372 2.927 20 30 CFEDMN CCc1nc([C@@H](C)N[C@H]2CCc3ccc(C#N)cc32)n[nH]1 ZINC000353271074 163334374 /nfs/dbraw/zinc/33/43/74/163334374.db2.gz XWSNIGHHBNUKEY-YGRLFVJLSA-N 0 1 281.363 2.577 20 30 CFEDMN N#Cc1cccc(CCNCc2c(F)ccc(O)c2F)c1 ZINC000353331132 163346219 /nfs/dbraw/zinc/34/62/19/163346219.db2.gz NKKWXEOVDKOGAS-UHFFFAOYSA-N 0 1 288.297 2.874 20 30 CFEDMN Cc1cc(CN[C@@H](C)c2ccc(C#N)c(F)c2)n(C)n1 ZINC000284360385 196039278 /nfs/dbraw/zinc/03/92/78/196039278.db2.gz NUIZVYRMRNSTFE-NSHDSACASA-N 0 1 272.327 2.590 20 30 CFEDMN C[C@@H]1CC=CC[C@H]1C(=O)N[C@@H]1CCc2nc[nH]c2C1 ZINC000329179997 287241865 /nfs/dbraw/zinc/24/18/65/287241865.db2.gz NQZIXLUFLQVJHB-IJLUTSLNSA-N 0 1 259.353 2.826 20 30 CFEDMN Fc1ccc(C#CCN2CCC[C@H]2[C@H]2CCCO2)cc1 ZINC000284676629 196110076 /nfs/dbraw/zinc/11/00/76/196110076.db2.gz HERHMKPDWVPTLU-DLBZAZTESA-N 0 1 273.351 2.821 20 30 CFEDMN C=CCN1CC[C@@H](N2CCC=C(c3ccccc3)C2)C1=O ZINC000284855158 196145148 /nfs/dbraw/zinc/14/51/48/196145148.db2.gz UETOOSOALUJTSW-QGZVFWFLSA-N 0 1 282.387 2.563 20 30 CFEDMN C=CCCn1cc(CN2CC[C@@H](C3CCCC3)C2)nn1 ZINC000653768519 413491171 /nfs/dbraw/zinc/49/11/71/413491171.db2.gz JYWIFTNECBNSJT-OAHLLOKOSA-N 0 1 274.412 2.866 20 30 CFEDMN CCc1csc(CC2CCN(CC#CCOC)CC2)n1 ZINC000653803030 413506109 /nfs/dbraw/zinc/50/61/09/413506109.db2.gz ZEJMRTQPIWROHZ-UHFFFAOYSA-N 0 1 292.448 2.610 20 30 CFEDMN C=CCCn1cc(CNCC(C)(C)[C@H]2CCCCO2)nn1 ZINC000657394934 413549652 /nfs/dbraw/zinc/54/96/52/413549652.db2.gz WDWKNVJBXHRFSK-OAHLLOKOSA-N 0 1 292.427 2.539 20 30 CFEDMN C=CCCn1cc(CN[C@H]2CCO[C@H](CC(C)C)C2)nn1 ZINC000657428643 413589918 /nfs/dbraw/zinc/58/99/18/413589918.db2.gz MEVAHFMVRQJPFL-GOEBONIOSA-N 0 1 292.427 2.538 20 30 CFEDMN CN(CC#Cc1ccc(F)cc1)[C@H](CO)Cc1ccccc1 ZINC000661090316 413747376 /nfs/dbraw/zinc/74/73/76/413747376.db2.gz AHEUBCAJKSKEMT-IBGZPJMESA-N 0 1 297.373 2.713 20 30 CFEDMN C=C1C[C@H]2CC[C@@H](C1)N2C(=O)N[C@H]1CCCc2cn[nH]c21 ZINC000664468561 413788901 /nfs/dbraw/zinc/78/89/01/413788901.db2.gz FCBRTWUBXGPULW-MJBXVCDLSA-N 0 1 286.379 2.680 20 30 CFEDMN C=CCCCCCNC(=O)N[C@@H]1C[C@H](C)[N@H+](C2CC2)C1 ZINC000654482070 413882019 /nfs/dbraw/zinc/88/20/19/413882019.db2.gz WUSDLPGVQIPWOK-UONOGXRCSA-N 0 1 279.428 2.657 20 30 CFEDMN C=CCN(CCC(=O)c1ccc(OC)cc1)[C@H](C)COC ZINC000661240407 413840283 /nfs/dbraw/zinc/84/02/83/413840283.db2.gz OBIZWARWHKNVHJ-CQSZACIVSA-N 0 1 291.391 2.791 20 30 CFEDMN C=CCN(CC#Cc1ccc(F)cc1)[C@@H](C)COC ZINC000661241564 413841216 /nfs/dbraw/zinc/84/12/16/413841216.db2.gz BDBUNRLTALQKTF-AWEZNQCLSA-N 0 1 261.340 2.700 20 30 CFEDMN C=CCN(Cc1cccc(C(C)=O)c1)[C@H](C)COC ZINC000661240768 413842714 /nfs/dbraw/zinc/84/27/14/413842714.db2.gz QVMDFXNOLSSLRH-CYBMUJFWSA-N 0 1 261.365 2.912 20 30 CFEDMN C=CC[N@@H+](C)Cc1c(Br)cccc1C(=O)[O-] ZINC000652386270 413916101 /nfs/dbraw/zinc/91/61/01/413916101.db2.gz OCFCZAWGUYOFBG-UHFFFAOYSA-N 0 1 284.153 2.765 20 30 CFEDMN C=CC[N@H+](C)Cc1c(Br)cccc1C(=O)[O-] ZINC000652386270 413916108 /nfs/dbraw/zinc/91/61/08/413916108.db2.gz OCFCZAWGUYOFBG-UHFFFAOYSA-N 0 1 284.153 2.765 20 30 CFEDMN C=CC[N@@H+](Cc1ccc(OC)cc1)[C@H](CCC)C(=O)[O-] ZINC000652398744 413922482 /nfs/dbraw/zinc/92/24/82/413922482.db2.gz YRLPYIVZIMBCOL-OAHLLOKOSA-N 0 1 277.364 2.937 20 30 CFEDMN C=CC[C@H]1CCCN(CC(=O)Nc2ccc(Cl)cn2)C1 ZINC000661380770 413945194 /nfs/dbraw/zinc/94/51/94/413945194.db2.gz PLXDLZUJSQARCB-LBPRGKRZSA-N 0 1 293.798 2.962 20 30 CFEDMN C[C@@]12COC[C@]1(C)CN(CC#Cc1ccc(F)cc1)C2 ZINC000661490532 414007986 /nfs/dbraw/zinc/00/79/86/414007986.db2.gz NLWZVKKXQSRNJD-CALCHBBNSA-N 0 1 273.351 2.536 20 30 CFEDMN C[C@@H](N[C@@H](C)C(=O)NC(C)(C)C)c1ccc(C#N)cc1 ZINC000037502302 173239531 /nfs/dbraw/zinc/23/95/31/173239531.db2.gz YLLWGXUHGRFDJJ-NEPJUHHUSA-N 0 1 273.380 2.512 20 30 CFEDMN N#Cc1ccc(CNCc2cccc3c2OCO3)cc1 ZINC000037505842 173240787 /nfs/dbraw/zinc/24/07/87/173240787.db2.gz AAYMENZHEQIMEA-UHFFFAOYSA-N 0 1 266.300 2.577 20 30 CFEDMN C[C@H]1CN(CC#Cc2ccc(Cl)cc2)C[C@H](C)C1O ZINC000661632293 414099932 /nfs/dbraw/zinc/09/99/32/414099932.db2.gz SJZSPGZQFYCOMZ-STQMWFEESA-N 0 1 277.795 2.640 20 30 CFEDMN CN(CC#Cc1cccc(Cl)c1)CC1=CCCOC1 ZINC000661656501 414110405 /nfs/dbraw/zinc/11/04/05/414110405.db2.gz YLSYOINZVSKUSN-UHFFFAOYSA-N 0 1 275.779 2.970 20 30 CFEDMN C=CCN(CC(=O)Nc1cccc(OC)c1)C(C)(C)C ZINC000661754723 414193313 /nfs/dbraw/zinc/19/33/13/414193313.db2.gz CAMPCJCWWAZRHL-UHFFFAOYSA-N 0 1 276.380 2.920 20 30 CFEDMN C=CCN(CC(=O)Nc1ccc(OC)cc1)C(C)(C)C ZINC000661756221 414194933 /nfs/dbraw/zinc/19/49/33/414194933.db2.gz GKIIWPPIDSVMLC-UHFFFAOYSA-N 0 1 276.380 2.920 20 30 CFEDMN C=CCOCCCN[C@H](c1ncc[nH]1)c1ccccc1 ZINC000658206053 414281590 /nfs/dbraw/zinc/28/15/90/414281590.db2.gz LIJNNPICWXRSKH-HNNXBMFYSA-N 0 1 271.364 2.681 20 30 CFEDMN C=C1C[C@H]2CC[C@@H](C1)N2Cc1cc2n(n1)CCCC2 ZINC000662088986 414403780 /nfs/dbraw/zinc/40/37/80/414403780.db2.gz PYSCNBPZLMAUBY-GASCZTMLSA-N 0 1 257.381 2.902 20 30 CFEDMN C=CC[C@H]1CCCN(C(=O)[C@@H](N)c2ccccc2)C1 ZINC000662637817 414583134 /nfs/dbraw/zinc/58/31/34/414583134.db2.gz YYMYRQMCLGQUJB-ZFWWWQNUSA-N 0 1 258.365 2.501 20 30 CFEDMN C[C@@H](N[C@H](C)c1ccc(C#N)cc1)c1cnn(C)c1 ZINC000044496898 175183920 /nfs/dbraw/zinc/18/39/20/175183920.db2.gz BVDNUDYFHCNJRS-VXGBXAGGSA-N 0 1 254.337 2.704 20 30 CFEDMN C[C@@H]1CCCN([C@@H](C(N)=O)c2ccc(C#N)cc2)C1 ZINC000335982805 287359198 /nfs/dbraw/zinc/35/91/98/287359198.db2.gz GDCSVUNKTWHXSG-BXUZGUMPSA-N 0 1 257.337 2.867 20 30 CFEDMN C[C@H](C#N)C(=O)Nc1ccc2nc([C@@H]3CCCO3)[nH]c2c1 ZINC000347070061 226013148 /nfs/dbraw/zinc/01/31/48/226013148.db2.gz NTPLUUCZZQMQLN-RNCFNFMXSA-N 0 1 284.319 2.513 20 30 CFEDMN Cn1ccc(CN[C@H](CCCC#N)c2ccccc2)n1 ZINC000353912733 226815368 /nfs/dbraw/zinc/81/53/68/226815368.db2.gz FZNNSRYGMQCJAE-MRXNPFEDSA-N 0 1 268.364 2.945 20 30 CFEDMN N#CC(C(=O)c1coc2ccccc12)c1ccncn1 ZINC000354468268 227004012 /nfs/dbraw/zinc/00/40/12/227004012.db2.gz LSRUHPQCQLBPPO-LLVKDONJSA-N 0 1 263.256 2.713 20 30 CFEDMN N#C[C@@H](C(=O)c1coc2ccccc12)c1ccncn1 ZINC000354468268 227004017 /nfs/dbraw/zinc/00/40/17/227004017.db2.gz LSRUHPQCQLBPPO-LLVKDONJSA-N 0 1 263.256 2.713 20 30 CFEDMN N#CC1(C(=O)N2CCC(c3cnc[nH]3)CC2)CCCCC1 ZINC000336528705 227096355 /nfs/dbraw/zinc/09/63/55/227096355.db2.gz PQATTWOAZWPXGW-UHFFFAOYSA-N 0 1 286.379 2.590 20 30 CFEDMN C[C@H](NC(=O)[C@@H]1CCc2[nH]nnc2C1)C1CCCCC1 ZINC000329046298 227270407 /nfs/dbraw/zinc/27/04/07/227270407.db2.gz UZJIUQOHVVRFRG-CMPLNLGQSA-N 0 1 276.384 2.835 20 30 CFEDMN C[C@H](NC(=O)[C@@H]1CCc2nn[nH]c2C1)C1CCCCC1 ZINC000329046298 227270414 /nfs/dbraw/zinc/27/04/14/227270414.db2.gz UZJIUQOHVVRFRG-CMPLNLGQSA-N 0 1 276.384 2.835 20 30 CFEDMN C[C@]1([NH+]=C([O-])N[C@H]2CCc3ccccc3C2)CCCOC1 ZINC000329106257 227300056 /nfs/dbraw/zinc/30/00/56/227300056.db2.gz DJDFKEIMTCOHAM-RDJZCZTQSA-N 0 1 288.391 2.617 20 30 CFEDMN C[C@]1(NC([O-])=[NH+][C@H]2CCc3ccccc3C2)CCCOC1 ZINC000329106257 227300060 /nfs/dbraw/zinc/30/00/60/227300060.db2.gz DJDFKEIMTCOHAM-RDJZCZTQSA-N 0 1 288.391 2.617 20 30 CFEDMN N#CCCN1CCC[C@H]1c1n[nH]c(-c2ccccc2)n1 ZINC000331519918 228109460 /nfs/dbraw/zinc/10/94/60/228109460.db2.gz DXFNKZNKMYLDOL-ZDUSSCGKSA-N 0 1 267.336 2.522 20 30 CFEDMN N#CCCN1CCC[C@H]1c1nc(-c2ccccc2)n[nH]1 ZINC000331519918 228109463 /nfs/dbraw/zinc/10/94/63/228109463.db2.gz DXFNKZNKMYLDOL-ZDUSSCGKSA-N 0 1 267.336 2.522 20 30 CFEDMN Cc1cc(-n2ccnc2)ccc1CN[C@@H]1CCC[C@H]1C#N ZINC000331665797 228117622 /nfs/dbraw/zinc/11/76/22/228117622.db2.gz OJSWOHFIQORMIN-WMLDXEAASA-N 0 1 280.375 2.963 20 30 CFEDMN C[C@H]1C[C@H](C(C)(C)C)CCN1CC(=O)NC1(C#N)CCC1 ZINC000332487121 228161182 /nfs/dbraw/zinc/16/11/82/228161182.db2.gz QVRGOAPPUXNVCB-UONOGXRCSA-N 0 1 291.439 2.695 20 30 CFEDMN Cc1ccc(NC(=O)c2c[nH]nc2[C@@H]2CCOC2)cc1F ZINC000330353578 228163881 /nfs/dbraw/zinc/16/38/81/228163881.db2.gz OQGBZRFAQDPUPA-SNVBAGLBSA-N 0 1 289.310 2.997 20 30 CFEDMN N#CC1(CN2CCC[C@@H](c3nc(C4CC4)n[nH]3)C2)CCC1 ZINC000333635897 228207642 /nfs/dbraw/zinc/20/76/42/228207642.db2.gz BCISJHGDCZBSOC-CYBMUJFWSA-N 0 1 285.395 2.555 20 30 CFEDMN C=CC[C@H](C)NCc1csc(N(CC)C(C)=O)n1 ZINC000116927576 260007784 /nfs/dbraw/zinc/00/77/84/260007784.db2.gz DFDHLCROSJAQHV-JTQLQIEISA-N 0 1 267.398 2.570 20 30 CFEDMN C=CCC[C@@H](O)C[N@H+]1CCC[C@H]1c1nccs1 ZINC000370504493 260066509 /nfs/dbraw/zinc/06/65/09/260066509.db2.gz IRBYCZNBMXKFHQ-NEPJUHHUSA-N 0 1 252.383 2.607 20 30 CFEDMN C=CCC[C@@H](O)CN1CCC[C@H]1c1nccs1 ZINC000370504493 260066510 /nfs/dbraw/zinc/06/65/10/260066510.db2.gz IRBYCZNBMXKFHQ-NEPJUHHUSA-N 0 1 252.383 2.607 20 30 CFEDMN CCCN(CC#N)C(=O)[C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000363374863 260145376 /nfs/dbraw/zinc/14/53/76/260145376.db2.gz INSWMKAUSOGKQH-QGZVFWFLSA-N 0 1 299.418 2.661 20 30 CFEDMN C[C@@H](N[C@@H](C)c1ccccc1Cl)C(=O)N(C)CCC#N ZINC000070786552 260269862 /nfs/dbraw/zinc/26/98/62/260269862.db2.gz QKRRJHAMQMPLIP-NWDGAFQWSA-N 0 1 293.798 2.751 20 30 CFEDMN C=CCOc1ccccc1CN1CCc2cc[nH]c(=O)c2C1 ZINC000426400087 260486584 /nfs/dbraw/zinc/48/65/84/260486584.db2.gz BECSXQNPHYGXKT-UHFFFAOYSA-N 0 1 296.370 2.910 20 30 CFEDMN CC(C)C(N)=NOCc1cc(-c2ccccc2)no1 ZINC000128581311 260820175 /nfs/dbraw/zinc/82/01/75/260820175.db2.gz OGXPTHTYAKGLFR-UHFFFAOYSA-N 0 1 259.309 2.786 20 30 CFEDMN CCN(CCC#N)CCCc1ccc2c(c1)CCO2 ZINC000360920464 261129987 /nfs/dbraw/zinc/12/99/87/261129987.db2.gz QDZFIKWGDFPBFD-UHFFFAOYSA-N 0 1 258.365 2.790 20 30 CFEDMN C#CCN1CCC(C(=O)N(CC)Cc2ccccc2C)CC1 ZINC000490574387 261163624 /nfs/dbraw/zinc/16/36/24/261163624.db2.gz SQKNLSBEYKMWDM-UHFFFAOYSA-N 0 1 298.430 2.689 20 30 CFEDMN COc1cc(F)c([C@H](C)NCCCC#N)cc1OC ZINC000183504312 261977874 /nfs/dbraw/zinc/97/78/74/261977874.db2.gz HWFOKWFTVNUSQM-JTQLQIEISA-N 0 1 266.316 2.797 20 30 CFEDMN CC[C@@H](CC#N)NC(=O)[C@@H](c1ccccc1)N(CC)CC ZINC000183964304 262002552 /nfs/dbraw/zinc/00/25/52/262002552.db2.gz JCLLQVGHXMAAIC-JKSUJKDBSA-N 0 1 287.407 2.878 20 30 CFEDMN C#CCN1CCC(C(=O)OCc2sccc2Cl)CC1 ZINC000491803915 262070784 /nfs/dbraw/zinc/07/07/84/262070784.db2.gz KPOKINZPMUKPED-UHFFFAOYSA-N 0 1 297.807 2.790 20 30 CFEDMN CC(C)(C#N)c1ccc(NC(=O)CCc2cnc[nH]2)cc1 ZINC000189038771 262166438 /nfs/dbraw/zinc/16/64/38/262166438.db2.gz ZGHNYWMPTJZPTF-UHFFFAOYSA-N 0 1 282.347 2.782 20 30 CFEDMN Cc1cccc(CN2CCCC[C@H]2C(=O)N[C@H](C)CC#N)c1 ZINC000364205059 262183882 /nfs/dbraw/zinc/18/38/82/262183882.db2.gz FCKLRXRRONYCPT-WBVHZDCISA-N 0 1 299.418 2.768 20 30 CFEDMN C(#Cc1ccccc1)CN[C@H](c1nnc[nH]1)c1ccccc1 ZINC000364587950 262254358 /nfs/dbraw/zinc/25/43/58/262254358.db2.gz GYEDHTNCQLIYSK-KRWDZBQOSA-N 0 1 288.354 2.535 20 30 CFEDMN C=CC1CCN(C(=O)c2cccc3c[nH]nc32)CC1 ZINC000110968591 262259146 /nfs/dbraw/zinc/25/91/46/262259146.db2.gz DEOUMEJMAVRDQS-UHFFFAOYSA-N 0 1 255.321 2.601 20 30 CFEDMN CC(C)CCCN1C[C@@H](C#N)[C@@]2(C1)c1ccccc1NC2=O ZINC000364850623 262262272 /nfs/dbraw/zinc/26/22/72/262262272.db2.gz CAGHPRQONQQSJY-KDOFPFPSSA-N 0 1 297.402 2.768 20 30 CFEDMN C[C@@H]1CC[S@@](=O)CCN1CCCCC(C)(C)C#N ZINC000365600362 262372902 /nfs/dbraw/zinc/37/29/02/262372902.db2.gz OVVLUAQMIFLYEW-FZKQIMNGSA-N 0 1 270.442 2.549 20 30 CFEDMN Cc1cc(C(=O)[C@H](C#N)c2nc3ccccc3[nH]2)co1 ZINC000187235474 262392656 /nfs/dbraw/zinc/39/26/56/262392656.db2.gz LRGOVTRXQZZMPU-NSHDSACASA-N 0 1 265.272 2.954 20 30 CFEDMN Cc1cc(C(=O)C(C#N)c2nc3ccccc3[nH]2)co1 ZINC000187235474 262392657 /nfs/dbraw/zinc/39/26/57/262392657.db2.gz LRGOVTRXQZZMPU-NSHDSACASA-N 0 1 265.272 2.954 20 30 CFEDMN CCc1nc([C@@H](C)N[C@H](C)c2ccc(OCC#N)cc2)n[nH]1 ZINC000271827274 263000007 /nfs/dbraw/zinc/00/00/07/263000007.db2.gz DFEWHABHTPJCHZ-VXGBXAGGSA-N 0 1 299.378 2.681 20 30 CFEDMN COCCN(CCC(C)(C)C#N)Cc1ccc(C#N)cc1 ZINC000272019518 263001431 /nfs/dbraw/zinc/00/14/31/263001431.db2.gz MMUDRWNESIVULC-UHFFFAOYSA-N 0 1 285.391 2.947 20 30 CFEDMN CC1(C#N)CCN(Cc2ccc(OCC#N)cc2)CC1 ZINC000272567519 263006736 /nfs/dbraw/zinc/00/67/36/263006736.db2.gz MPIFXEOWYQJFEY-UHFFFAOYSA-N 0 1 269.348 2.715 20 30 CFEDMN CC(C)c1nn(C)c(Cl)c1CNCCCC#N ZINC000273078380 263012228 /nfs/dbraw/zinc/01/22/28/263012228.db2.gz QAUZFJQUKIESMQ-UHFFFAOYSA-N 0 1 254.765 2.590 20 30 CFEDMN Cc1ccc2[nH]cc(C(=O)N3CCC(C#N)CC3)c(=O)c2c1 ZINC000273172580 263013375 /nfs/dbraw/zinc/01/33/75/263013375.db2.gz FFGXLFNLDOBFOC-UHFFFAOYSA-N 0 1 295.342 2.625 20 30 CFEDMN C=C(C)[C@H](Cc1nc([C@@H](N)CC(C)C)no1)OCC ZINC000414626542 263016552 /nfs/dbraw/zinc/01/65/52/263016552.db2.gz YJEUBCYGRLWAPN-RYUDHWBXSA-N 0 1 267.373 2.639 20 30 CFEDMN Cc1[nH]ncc1CNC(=O)N[C@H](CCC#N)c1ccccc1 ZINC000274568039 263026504 /nfs/dbraw/zinc/02/65/04/263026504.db2.gz HBIIVSLFYMZXFU-OAHLLOKOSA-N 0 1 297.362 2.562 20 30 CFEDMN N#CC1(C(=O)Nc2cc(F)cc(Cl)c2O)CCC1 ZINC000274743972 263030133 /nfs/dbraw/zinc/03/01/33/263030133.db2.gz WFWNDCWVBXYZPI-UHFFFAOYSA-N 0 1 268.675 2.817 20 30 CFEDMN C=CC[C@@H](CC)NC(=O)c1cc2[nH]cnc2cc1F ZINC000425291079 263040043 /nfs/dbraw/zinc/04/00/43/263040043.db2.gz QKYHMUVJAOMGQL-SECBINFHSA-N 0 1 261.300 2.787 20 30 CFEDMN CN(Cc1cc(Br)cn1C)[C@@H]1CC[C@H](C#N)C1 ZINC000278752973 263050785 /nfs/dbraw/zinc/05/07/85/263050785.db2.gz XEPXBCQJWCGYOY-CMPLNLGQSA-N 0 1 296.212 2.912 20 30 CFEDMN C[C@H](C#N)CN(C)CCCc1ccc2c(c1)CCO2 ZINC000280802238 263064422 /nfs/dbraw/zinc/06/44/22/263064422.db2.gz IMACRBGXMZKDNA-CYBMUJFWSA-N 0 1 258.365 2.646 20 30 CFEDMN Cn1cc([C@H](N[C@H]2CC[C@@H](C#N)C2)c2ccc(F)cc2)cn1 ZINC000282198684 263075177 /nfs/dbraw/zinc/07/51/77/263075177.db2.gz GRUXRWQUTWWAFF-OAUYIBNBSA-N 0 1 298.365 2.930 20 30 CFEDMN CCc1ccc([C@H](COC)N[C@@H]2CC[C@H](C#N)C2)o1 ZINC000282438812 263076804 /nfs/dbraw/zinc/07/68/04/263076804.db2.gz UIKVQPLZGAFXOS-SCRDCRAPSA-N 0 1 262.353 2.811 20 30 CFEDMN N#CCOc1ccc(C[N@H+]2CCC[C@H]2[C@H]2CCCO2)cc1 ZINC000284723247 263087900 /nfs/dbraw/zinc/08/79/00/263087900.db2.gz JTYNXXWYBFKUFG-DLBZAZTESA-N 0 1 286.375 2.732 20 30 CFEDMN CC[C@](C)(C#N)C(=O)Nc1cccc(Cl)c1O ZINC000285661485 263095081 /nfs/dbraw/zinc/09/50/81/263095081.db2.gz DGMKQJZDDGKKCM-GFCCVEGCSA-N 0 1 252.701 2.924 20 30 CFEDMN CC[C@](C)(C#N)C(=O)Nc1ccc2c(C)[nH]nc2c1 ZINC000285709638 263095257 /nfs/dbraw/zinc/09/52/57/263095257.db2.gz DQPIVMPDOHFQKJ-CQSZACIVSA-N 0 1 256.309 2.750 20 30 CFEDMN CC[C@](C)(C#N)C(=O)Nc1cc2cn[nH]c2cc1C ZINC000286593709 263098998 /nfs/dbraw/zinc/09/89/98/263098998.db2.gz WIYOYWNTQYYEPT-CQSZACIVSA-N 0 1 256.309 2.750 20 30 CFEDMN C=CCN(CC=C)C(=O)CN1Cc2ccccc2C(C)(C)C1 ZINC000340234895 263099068 /nfs/dbraw/zinc/09/90/68/263099068.db2.gz GIDKWRIFFDABHB-UHFFFAOYSA-N 0 1 298.430 2.980 20 30 CFEDMN CN(CCCC#N)C[C@H](O)c1ccccc1Br ZINC000295217553 263174458 /nfs/dbraw/zinc/17/44/58/263174458.db2.gz AQPMRMLPAITJSK-ZDUSSCGKSA-N 0 1 297.196 2.718 20 30 CFEDMN Cc1ccc2nc([C@H]3CCCN3CCOCCC#N)[nH]c2c1 ZINC000295687082 263181332 /nfs/dbraw/zinc/18/13/32/263181332.db2.gz CXJALQJRSBLNKZ-MRXNPFEDSA-N 0 1 298.390 2.939 20 30 CFEDMN CCC(N)=NOCc1nc(-c2cccs2)oc1C ZINC000299366652 263241453 /nfs/dbraw/zinc/24/14/53/263241453.db2.gz XGAYCLGGICJWKO-UHFFFAOYSA-N 0 1 265.338 2.910 20 30 CFEDMN Cc1cc(C)cc(N(CCC#N)C(=O)CN2CC[C@H](C)C2)c1 ZINC000299666435 263251197 /nfs/dbraw/zinc/25/11/97/263251197.db2.gz RKROEXBLUGDQCM-AWEZNQCLSA-N 0 1 299.418 2.892 20 30 CFEDMN C=CCCC[C@@H](C)N1CCN(C(=O)C(C)C)CC1 ZINC000340762694 263305046 /nfs/dbraw/zinc/30/50/46/263305046.db2.gz YHZVSRLRRSWQBE-CQSZACIVSA-N 0 1 252.402 2.531 20 30 CFEDMN C=CCN(CCn1cc(C)cn1)Cc1cccs1 ZINC000341833104 263353400 /nfs/dbraw/zinc/35/34/00/263353400.db2.gz OCAKIPNQAOHKGR-UHFFFAOYSA-N 0 1 261.394 2.941 20 30 CFEDMN C=CC[C@@H](C(=O)N1CCN(CC)C[C@@H]1C)c1ccccc1 ZINC000341837497 263356641 /nfs/dbraw/zinc/35/66/41/263356641.db2.gz BHLJBFYUTRXHEY-DOTOQJQBSA-N 0 1 286.419 2.899 20 30 CFEDMN CCC(CC)CN(CCC#N)CCn1cc(C)cn1 ZINC000341879143 263362596 /nfs/dbraw/zinc/36/25/96/263362596.db2.gz ANQXYEHHXQUTMX-UHFFFAOYSA-N 0 1 262.401 2.843 20 30 CFEDMN C=C1CCN([C@H](C)C(=O)N2[C@H](C)CCC[C@@H]2C)CC1 ZINC000342184389 263395343 /nfs/dbraw/zinc/39/53/43/263395343.db2.gz RIZPQFDZSPNBGX-QLFBSQMISA-N 0 1 264.413 2.816 20 30 CFEDMN C#Cc1ccc(NC(=O)N(CCC)[C@H]2CC[N@@H+](C)C2)cc1 ZINC000934924932 649855353 /nfs/dbraw/zinc/85/53/53/649855353.db2.gz NKEWTCBNXWVCLI-INIZCTEOSA-N 0 1 285.391 2.616 20 30 CFEDMN C=CCCC[C@H](C)NC(=O)N1CCC[C@@H](c2nc[nH]n2)C1 ZINC000330678982 264002553 /nfs/dbraw/zinc/00/25/53/264002553.db2.gz XABYIGWVBVXUFW-QWHCGFSZSA-N 0 1 291.399 2.643 20 30 CFEDMN CC[C@H](C)C[C@H](C)NC(=O)N1CCC[C@@H](c2nc[nH]n2)C1 ZINC000331137596 264135671 /nfs/dbraw/zinc/13/56/71/264135671.db2.gz QFLPFOYYYKLMFL-RWMBFGLXSA-N 0 1 293.415 2.723 20 30 CFEDMN CC1(C)CCC[N@@H+](CCNC(=O)c2c([O-])cccc2F)C1 ZINC000331251126 264181133 /nfs/dbraw/zinc/18/11/33/264181133.db2.gz ZODRMZAADBUWFS-UHFFFAOYSA-N 0 1 294.370 2.958 20 30 CFEDMN CN(CC#Cc1ccc(OC(F)(F)F)cc1)[C@@H]1CCOC1 ZINC000160068463 264223709 /nfs/dbraw/zinc/22/37/09/264223709.db2.gz RZYHFRIDAOPLFI-CYBMUJFWSA-N 0 1 299.292 2.657 20 30 CFEDMN CC[C@@]1(C)CCCN(CC(=O)N[C@@](C)(C#N)C(C)C)C1 ZINC000075999420 264335530 /nfs/dbraw/zinc/33/55/30/264335530.db2.gz ADLKCRDSEANRDU-HOTGVXAUSA-N 0 1 279.428 2.553 20 30 CFEDMN C=CCC1(C(=O)Nc2nc(C3CCC3)n[nH]2)CCC1 ZINC000190230818 264395981 /nfs/dbraw/zinc/39/59/81/264395981.db2.gz HQURIGZKHFLOMJ-UHFFFAOYSA-N 0 1 260.341 2.757 20 30 CFEDMN C=CCC1(C(=O)Nc2n[nH]c(C3CCC3)n2)CCC1 ZINC000190230818 264395983 /nfs/dbraw/zinc/39/59/83/264395983.db2.gz HQURIGZKHFLOMJ-UHFFFAOYSA-N 0 1 260.341 2.757 20 30 CFEDMN C=CCOc1ccc(C[N@@H+]2CC[C@H](C(=O)OC)[C@@H]2C)cc1 ZINC000347276472 265127288 /nfs/dbraw/zinc/12/72/88/265127288.db2.gz LDUQINUHLRDQDK-BBRMVZONSA-N 0 1 289.375 2.635 20 30 CFEDMN Cc1ccc([C@H](N)C(=O)N2CCC(CCC#N)CC2)cc1 ZINC000519159261 265345966 /nfs/dbraw/zinc/34/59/66/265345966.db2.gz KBSABLGALMIPHU-INIZCTEOSA-N 0 1 285.391 2.537 20 30 CFEDMN C[C@@H]1[C@@H](C)N(C(=O)C[C@@H](CC#N)c2ccccc2)CCN1C ZINC000356650045 266154625 /nfs/dbraw/zinc/15/46/25/266154625.db2.gz HLKJQLICOOOQBW-BFYDXBDKSA-N 0 1 299.418 2.625 20 30 CFEDMN C=C(C)[C@H]1OCC[C@@H]1CNc1ccnc(C)c1Cl ZINC000356997430 266229286 /nfs/dbraw/zinc/22/92/86/266229286.db2.gz MOKRAOKYSHAPFP-BXUZGUMPSA-N 0 1 266.772 2.858 20 30 CFEDMN C=CCCC1(C(=O)N2CCN(C)[C@@H](C(C)C)C2)CC1 ZINC000357162896 266258222 /nfs/dbraw/zinc/25/82/22/266258222.db2.gz XCJLWFPALMONHC-CQSZACIVSA-N 0 1 264.413 2.531 20 30 CFEDMN Cc1noc(CCCN(CCC#N)CCC(C)C)n1 ZINC000357732993 266353366 /nfs/dbraw/zinc/35/33/66/266353366.db2.gz PIXFDLVVKVCLGJ-UHFFFAOYSA-N 0 1 264.373 2.572 20 30 CFEDMN C=C(C)Cn1c(CC(C)C)n[n-]c1=[NH+]c1c(C)n[nH]c1C ZINC000359115120 266537735 /nfs/dbraw/zinc/53/77/35/266537735.db2.gz LOMVHHARWMBMGL-UHFFFAOYSA-N 0 1 288.399 2.558 20 30 CFEDMN CCCN1C(=O)N=NC1S[C@H](C#N)C1CCCCC1 ZINC000115185668 267091070 /nfs/dbraw/zinc/09/10/70/267091070.db2.gz KFXZFRSSQGDRKZ-LLVKDONJSA-N 0 1 280.397 2.958 20 30 CFEDMN C=C(Cl)CN1CC[C@@H](c2ccccc2)[C@@H](CO)C1 ZINC000367530782 267097481 /nfs/dbraw/zinc/09/74/81/267097481.db2.gz ISDUWRSEIAQHAW-CABCVRRESA-N 0 1 265.784 2.837 20 30 CFEDMN CCC(CC)CN(CCC#N)CCN1C[C@H]2CC[C@@H](C1)O2 ZINC000367582454 267101453 /nfs/dbraw/zinc/10/14/53/267101453.db2.gz LFSINAFKAPJIOQ-CALCHBBNSA-N 0 1 293.455 2.501 20 30 CFEDMN Cc1cccc([C@@H]2CCCCCN2CC(=O)NCC#N)c1 ZINC000117897977 267225463 /nfs/dbraw/zinc/22/54/63/267225463.db2.gz DLFADPLMVFOYQP-INIZCTEOSA-N 0 1 285.391 2.552 20 30 CFEDMN C[C@@H]1CC[C@@H](CN2CCC(C#N)(c3ccccn3)CC2)O1 ZINC000369205704 267226550 /nfs/dbraw/zinc/22/65/50/267226550.db2.gz KLQXDSPQAHPEHS-CABCVRRESA-N 0 1 285.391 2.506 20 30 CFEDMN C=CCCCCCN1CCOC[C@H]1[C@@H]1CCCC1=O ZINC000369692831 267259943 /nfs/dbraw/zinc/25/99/43/267259943.db2.gz OUGKXQFYAJKSMG-GJZGRUSLSA-N 0 1 265.397 2.803 20 30 CFEDMN CC(C)(C#N)CCCCN1CCO[C@@H]([C@@H]2CCCO2)C1 ZINC000375402466 267857101 /nfs/dbraw/zinc/85/71/01/267857101.db2.gz HRTYWPYBGDSMHP-LSDHHAIUSA-N 0 1 280.412 2.586 20 30 CFEDMN C=CCC[C@H](N[C@@H]1CC(=O)N([C@@H]2C[C@H]2C)C1)c1ccco1 ZINC000375852629 267912918 /nfs/dbraw/zinc/91/29/18/267912918.db2.gz NYSQQVRVFOBETF-APIJFGDWSA-N 0 1 288.391 2.886 20 30 CFEDMN N#Cc1cc(CN[C@H](c2ccccn2)C2CCC2)ccn1 ZINC000528655172 268180220 /nfs/dbraw/zinc/18/02/20/268180220.db2.gz CKMCCHHEBLSOLI-KRWDZBQOSA-N 0 1 278.359 2.979 20 30 CFEDMN N#Cc1ccc(CN2CC[C@@H](CC(F)(F)F)C2)nc1 ZINC000515666244 268222164 /nfs/dbraw/zinc/22/21/64/268222164.db2.gz SHHYWSBPMIENQL-JTQLQIEISA-N 0 1 269.270 2.728 20 30 CFEDMN C[C@@H]1CN(Cc2ccccc2)CCN1c1cccc(C#N)n1 ZINC000267366203 274354516 /nfs/dbraw/zinc/35/45/16/274354516.db2.gz AWWFCSWYDYXCEL-OAHLLOKOSA-N 0 1 292.386 2.664 20 30 CFEDMN Cc1cc(C)c(C#N)c(NC[C@@H](c2ccco2)N(C)C)n1 ZINC000247987766 274683402 /nfs/dbraw/zinc/68/34/02/274683402.db2.gz KVDRQMPCXJVRSG-AWEZNQCLSA-N 0 1 284.363 2.878 20 30 CFEDMN O[C@@H]1CCCN(CC#Cc2cccc(Cl)c2)CC1 ZINC000293027748 275053368 /nfs/dbraw/zinc/05/33/68/275053368.db2.gz FZNIDWYUIQPIAC-OAHLLOKOSA-N 0 1 263.768 2.538 20 30 CFEDMN C#CCN(Cc1ccccc1)C[C@@H]1CC2(CCC2)C(=O)O1 ZINC000285560620 275381155 /nfs/dbraw/zinc/38/11/55/275381155.db2.gz HCRNMYFRIDGYAV-INIZCTEOSA-N 0 1 283.371 2.608 20 30 CFEDMN C=CC[C@H](C)[C@@H](C)N[C@H]1CS(=O)(=O)c2ccccc21 ZINC000269133411 275433899 /nfs/dbraw/zinc/43/38/99/275433899.db2.gz ZVCVHEIOWRIKGW-SCRDCRAPSA-N 0 1 279.405 2.705 20 30 CFEDMN CC(C)(C)N1CC[C@H](N[C@@H]2CCc3ccc(C#N)cc32)C1=O ZINC000335405059 275513618 /nfs/dbraw/zinc/51/36/18/275513618.db2.gz CCUMQUFIYLFLJE-CVEARBPZSA-N 0 1 297.402 2.535 20 30 CFEDMN CN1CC[C@@H](NCC2(C#N)CC2)[C@@H]1c1ccc(Cl)cc1 ZINC000352082947 276945671 /nfs/dbraw/zinc/94/56/71/276945671.db2.gz KNMAMFGWOVUTEQ-CABCVRRESA-N 0 1 289.810 2.979 20 30 CFEDMN C=CCCC1(C(=O)N2CCN(CC(C)C)CC2)CC1 ZINC000353795496 277827168 /nfs/dbraw/zinc/82/71/68/277827168.db2.gz WULLSAZBBDXIPD-UHFFFAOYSA-N 0 1 264.413 2.533 20 30 CFEDMN CC1(C)CCN(C(=O)N[C@@H]2CCCc3cn[nH]c32)CC1 ZINC000329350663 278250631 /nfs/dbraw/zinc/25/06/31/278250631.db2.gz TUGLFYWQSLRVGG-GFCCVEGCSA-N 0 1 276.384 2.823 20 30 CFEDMN CCN(CC(=O)N(C)C(C)C)[C@@H](C)c1ccc(C#N)cc1 ZINC000054340590 279047396 /nfs/dbraw/zinc/04/73/96/279047396.db2.gz WDZZDIFWCZRLNE-AWEZNQCLSA-N 0 1 287.407 2.808 20 30 CFEDMN C[C@@H]1Oc2ccccc2[C@@H]1NCc1cc(C#N)n(C)c1 ZINC000288412296 279068880 /nfs/dbraw/zinc/06/88/80/279068880.db2.gz APOXLPRGRCRBDI-MEDUHNTESA-N 0 1 267.332 2.509 20 30 CFEDMN CN(Cc1cn2ccccc2c1C#N)[C@@H]1CCCC[C@H]1O ZINC000252923608 281078628 /nfs/dbraw/zinc/07/86/28/281078628.db2.gz KCFYRILDONSYSV-IAGOWNOFSA-N 0 1 283.375 2.546 20 30 CFEDMN N#Cc1cccc(CNCc2cnc(C3CC3)nc2)c1 ZINC000459364305 281256842 /nfs/dbraw/zinc/25/68/42/281256842.db2.gz KEAHFCLINLSLIH-UHFFFAOYSA-N 0 1 264.332 2.515 20 30 CFEDMN N#Cc1cccc(CN2CC(Cc3ccco3)C2)c1 ZINC000529653672 281411650 /nfs/dbraw/zinc/41/16/50/281411650.db2.gz UKQBFBNHNNABLR-UHFFFAOYSA-N 0 1 252.317 2.826 20 30 CFEDMN C[C@H](NCCOC[C@H]1CCCO1)c1ccc(C#N)cc1F ZINC000543762836 281656327 /nfs/dbraw/zinc/65/63/27/281656327.db2.gz ORPCOCTVURHCFL-GXTWGEPZSA-N 0 1 292.354 2.544 20 30 CFEDMN CC(C)(CNCc1nc(C#N)cs1)C(F)(F)F ZINC000562076581 282067012 /nfs/dbraw/zinc/06/70/12/282067012.db2.gz MNNQJSVNUWELQV-UHFFFAOYSA-N 0 1 263.288 2.693 20 30 CFEDMN C[C@@H](NCc1cccnc1N(C)C)c1ccc(C#N)cc1 ZINC000154049382 289884138 /nfs/dbraw/zinc/88/41/38/289884138.db2.gz KSMQHGXIUPGWPA-CYBMUJFWSA-N 0 1 280.375 2.870 20 30 CFEDMN CC(=Cc1cccs1)c1nc(C)c(C#N)c(=O)[nH]1 ZINC000562461590 290045050 /nfs/dbraw/zinc/04/50/50/290045050.db2.gz XBDFYUDVJMIXNF-SOFGYWHQSA-N 0 1 257.318 2.572 20 30 CFEDMN COc1ccc2c(c1)CCCN(Cc1cc(C#N)n(C)c1)C2 ZINC000562921022 290081749 /nfs/dbraw/zinc/08/17/49/290081749.db2.gz AHGCONQYLIGRCQ-UHFFFAOYSA-N 0 1 295.386 2.854 20 30 CFEDMN Cc1nc2ccc(NC(=O)c3ncc(C#N)cc3C)cc2[nH]1 ZINC000563636545 290166379 /nfs/dbraw/zinc/16/63/79/290166379.db2.gz OXLRPRBKHVHPIL-UHFFFAOYSA-N 0 1 291.314 2.699 20 30 CFEDMN COC(=O)c1cccc(CN2CC[C@@H](C)C[C@H]2C)c1C#N ZINC000565712625 290319579 /nfs/dbraw/zinc/31/95/79/290319579.db2.gz PCNTZGRKDNVKHE-CHWSQXEVSA-N 0 1 286.375 2.965 20 30 CFEDMN C=C(C)CN1CC[C@@H]1CN(C)C(=O)c1ccccc1F ZINC001085456907 782059225 /nfs/dbraw/zinc/05/92/25/782059225.db2.gz WBKAGVKIJUXZBE-CYBMUJFWSA-N 0 1 276.355 2.548 20 30 CFEDMN C=CCCN1CC[C@H]1CN(C)C(=O)c1sccc1C ZINC001085460690 782062507 /nfs/dbraw/zinc/06/25/07/782062507.db2.gz NVWLHTQXXZBKBT-ZDUSSCGKSA-N 0 1 278.421 2.779 20 30 CFEDMN O=C(N[C@@H]1CCc2nc[nH]c2C1)[C@H]1CCCc2cccnc21 ZINC000329661003 295384682 /nfs/dbraw/zinc/38/46/82/295384682.db2.gz OIGJIUINIBICGJ-OLZOCXBDSA-N 0 1 296.374 2.739 20 30 CFEDMN CCCN(CC#N)C(=O)[C@@H](CC)N(C)Cc1ccccc1 ZINC000339263106 328003835 /nfs/dbraw/zinc/00/38/35/328003835.db2.gz DUJXBFUUCALJAB-MRXNPFEDSA-N 0 1 287.407 2.659 20 30 CFEDMN CCC[C@H](C#N)NC(=O)c1cccc(C(F)(F)F)c1O ZINC000563377280 328058595 /nfs/dbraw/zinc/05/85/95/328058595.db2.gz SLCMSMRERDRLSP-MRVPVSSYSA-N 0 1 286.253 2.833 20 30 CFEDMN C=CCCCCCN[C@@H](C(N)=O)c1ccc(F)cc1 ZINC000563420119 328063985 /nfs/dbraw/zinc/06/39/85/328063985.db2.gz LRXAWNVKDYZREI-CQSZACIVSA-N 0 1 264.344 2.688 20 30 CFEDMN N#CC(C(=O)Nc1ccccn1)c1nc2ccccc2s1 ZINC000340037497 328116435 /nfs/dbraw/zinc/11/64/35/328116435.db2.gz MHGUSHYWFVWUQP-SNVBAGLBSA-N 0 1 294.339 2.937 20 30 CFEDMN C=CCN(CC(F)(F)F)C(=O)[C@H](C)N1[C@@H](C)CC[C@@H]1C ZINC000413288196 328143519 /nfs/dbraw/zinc/14/35/19/328143519.db2.gz VYEPBLYUZZQFGN-SRVKXCTJSA-N 0 1 292.345 2.825 20 30 CFEDMN C=CCOc1cccc(CN2CCCc3c(cnn3C)C2)c1 ZINC000414474614 328185277 /nfs/dbraw/zinc/18/52/77/328185277.db2.gz SQBLMTSDUOYIER-UHFFFAOYSA-N 0 1 297.402 2.933 20 30 CFEDMN C=CCOc1ccc(C[N@@H+]2CC[C@](C)(C(=O)[O-])C2)cc1 ZINC000414652196 328208370 /nfs/dbraw/zinc/20/83/70/328208370.db2.gz GLJNIBYUOBHMDM-INIZCTEOSA-N 0 1 275.348 2.548 20 30 CFEDMN C=CCOc1ccc(C[N@@H+]2CC[C@@](C)(C(=O)[O-])C2)cc1 ZINC000414652197 328208423 /nfs/dbraw/zinc/20/84/23/328208423.db2.gz GLJNIBYUOBHMDM-MRXNPFEDSA-N 0 1 275.348 2.548 20 30 CFEDMN N#C[C@H]1CC[C@H](N2CCN(c3ccc(Cl)cn3)CC2)C1 ZINC000278649183 328229211 /nfs/dbraw/zinc/22/92/11/328229211.db2.gz PQMLLPBYCZLMMY-JSGCOSHPSA-N 0 1 290.798 2.549 20 30 CFEDMN C=C(C)CN(C)CC(=O)N(C)Cc1ccc(Cl)s1 ZINC000181330140 329231673 /nfs/dbraw/zinc/23/16/73/329231673.db2.gz QZMOTNUXRDESNC-UHFFFAOYSA-N 0 1 286.828 2.868 20 30 CFEDMN C=CCN(CC(F)(F)F)C(=O)c1cccc2n[nH]cc21 ZINC000049519949 328367344 /nfs/dbraw/zinc/36/73/44/328367344.db2.gz ONYHZSCQPUEXDX-UHFFFAOYSA-N 0 1 283.253 2.753 20 30 CFEDMN Cc1cccc(NC(=O)c2ccc(C#N)c(O)c2)c1F ZINC000188764027 324020748 /nfs/dbraw/zinc/02/07/48/324020748.db2.gz KVCIOPPFWAIXPV-UHFFFAOYSA-N 0 1 270.263 2.964 20 30 CFEDMN CC(=Cc1cc(C)ccc1F)c1nc(C)c(C#N)c(=O)[nH]1 ZINC000193615308 324075298 /nfs/dbraw/zinc/07/52/98/324075298.db2.gz PGKRXNCNNSXULM-YFHOEESVSA-N 0 1 283.306 2.958 20 30 CFEDMN N#Cc1ccc(-c2nc(-c3ccn4cncc4c3)no2)o1 ZINC000350528611 324223800 /nfs/dbraw/zinc/22/38/00/324223800.db2.gz PRQNSEKBEZQPRV-UHFFFAOYSA-N 0 1 277.243 2.516 20 30 CFEDMN CCN(C(=O)[C@@H](C)N1CC(C)C1)[C@@H](C)c1ccc(C#N)cc1 ZINC000584061202 325328538 /nfs/dbraw/zinc/32/85/38/325328538.db2.gz DQBSFRIHZBMOKH-LSDHHAIUSA-N 0 1 299.418 2.808 20 30 CFEDMN OCCC1CCN(CC#Cc2ccc(Cl)cc2)CC1 ZINC000530939025 326897426 /nfs/dbraw/zinc/89/74/26/326897426.db2.gz UQIKIAAMDRRHAD-UHFFFAOYSA-N 0 1 277.795 2.786 20 30 CFEDMN COc1cc(CCNC[C@H](C#N)CCC#N)ccc1Cl ZINC000557265217 326999378 /nfs/dbraw/zinc/99/93/78/326999378.db2.gz VXGCDPDVFOCHMW-ZDUSSCGKSA-N 0 1 291.782 2.924 20 30 CFEDMN C=C[C@@H]1CCCCN1Cc1cc(C(=O)OC)oc1C ZINC000559036207 327138674 /nfs/dbraw/zinc/13/86/74/327138674.db2.gz WSXPTMCUKQFCOE-CYBMUJFWSA-N 0 1 263.337 2.915 20 30 CFEDMN CC(C)[C@H](NCCCCC#N)c1nc(C2CC2)no1 ZINC000179818365 327302615 /nfs/dbraw/zinc/30/26/15/327302615.db2.gz GOCRXQNZMORTDQ-LBPRGKRZSA-N 0 1 262.357 2.928 20 30 CFEDMN C=C[C@@H]1OCC[C@H]1N[C@@H](C)c1nnn(-c2ccccc2)c1C ZINC000583363880 327322244 /nfs/dbraw/zinc/32/22/44/327322244.db2.gz FFNXYEQAVMAQQO-MAZHCROVSA-N 0 1 298.390 2.570 20 30 CFEDMN N#CC1CCN(C(=O)c2cc(C3CCCCC3)[nH]n2)CC1 ZINC000121727016 327356355 /nfs/dbraw/zinc/35/63/55/327356355.db2.gz OYDHAYOUMHTSMX-UHFFFAOYSA-N 0 1 286.379 2.833 20 30 CFEDMN C=CCOc1ccccc1CN1CCC(O)(C(F)F)CC1 ZINC000428453949 327377385 /nfs/dbraw/zinc/37/73/85/327377385.db2.gz QAKCGDNICIDNSC-UHFFFAOYSA-N 0 1 297.345 2.843 20 30 CFEDMN C=CCC(CC=C)C(=O)N1CCN(C)C[C@@H]1C(C)C ZINC000150802354 327381004 /nfs/dbraw/zinc/38/10/04/327381004.db2.gz SSTGMBWGWDXETO-OAHLLOKOSA-N 0 1 264.413 2.553 20 30 CFEDMN COc1ccc(C[C@H](C)NC[C@@H](C)C#N)c(C)c1OC ZINC000561956406 327434427 /nfs/dbraw/zinc/43/44/27/327434427.db2.gz GUQLKNUQOKXVQS-RYUDHWBXSA-N 0 1 276.380 2.693 20 30 CFEDMN N#CC1CCN(Cc2cnc3ccccc3c2)CC1 ZINC000271206267 327525460 /nfs/dbraw/zinc/52/54/60/327525460.db2.gz SERHMMKRBWXVTO-UHFFFAOYSA-N 0 1 251.333 2.970 20 30 CFEDMN C=CCCCCCCNC(=O)N[C@@H]1CCc2nc[nH]c2C1 ZINC000377330405 329011314 /nfs/dbraw/zinc/01/13/14/329011314.db2.gz MHMDUUNOCKTMNK-CYBMUJFWSA-N 0 1 290.411 2.703 20 30 CFEDMN C#Cc1ccc(CN2CCCN(C(=O)CCC)CC2)cc1 ZINC000377657086 329023444 /nfs/dbraw/zinc/02/34/44/329023444.db2.gz YVJAIFLFYJSQRR-UHFFFAOYSA-N 0 1 284.403 2.502 20 30 CFEDMN C=C(C)CN1CCN([C@H](C)c2cccc(OC)c2)CC1 ZINC000171706137 329078831 /nfs/dbraw/zinc/07/88/31/329078831.db2.gz XBYSDTMUCFOZNY-OAHLLOKOSA-N 0 1 274.408 2.950 20 30 CFEDMN C=C(C)CN(C)Cc1cnc(N(CC)CC)s1 ZINC000181050575 329225447 /nfs/dbraw/zinc/22/54/47/329225447.db2.gz ZTNPEDTUOBJBRP-UHFFFAOYSA-N 0 1 253.415 2.997 20 30 CFEDMN C=CCNC(=O)CN[C@H](C)c1ccc(-c2cccnc2)cc1 ZINC000181294593 329230188 /nfs/dbraw/zinc/23/01/88/329230188.db2.gz WRYWKAKUDRYHCQ-CQSZACIVSA-N 0 1 295.386 2.701 20 30 CFEDMN C=C(C)CN(C)[C@@H](C)C(=O)NCc1ccccc1C ZINC000181297830 329230300 /nfs/dbraw/zinc/23/03/00/329230300.db2.gz MUUSRYHQWGSZGI-AWEZNQCLSA-N 0 1 260.381 2.508 20 30 CFEDMN C[C@H](NCC#Cc1ccc(F)cc1)c1cccnc1 ZINC000181661474 329235456 /nfs/dbraw/zinc/23/54/56/329235456.db2.gz BCCGDWBXQCGNBY-ZDUSSCGKSA-N 0 1 254.308 2.923 20 30 CFEDMN C=CC[C@H](CO)NCc1csc(-c2ccsc2)n1 ZINC000184274408 329258465 /nfs/dbraw/zinc/25/84/65/329258465.db2.gz RCELKNBVVFBQDB-LLVKDONJSA-N 0 1 280.418 2.898 20 30 CFEDMN C=C(C)C[C@H](C)C(=O)N1CCN(C2CCCC2)CC1 ZINC000184948467 329265951 /nfs/dbraw/zinc/26/59/51/329265951.db2.gz JCQHKXPJXXZLEZ-AWEZNQCLSA-N 0 1 264.413 2.676 20 30 CFEDMN C[C@](C#N)(NC(=O)c1ccc2[nH]nnc2c1)C1CCCCC1 ZINC000582865075 329278339 /nfs/dbraw/zinc/27/83/39/329278339.db2.gz OPCXTPHOIXDJSQ-MRXNPFEDSA-N 0 1 297.362 2.550 20 30 CFEDMN CC(C)Cn1ccnc1CN[C@H]1CCC[C@H](C#N)C1 ZINC000185714360 329330564 /nfs/dbraw/zinc/33/05/64/329330564.db2.gz RVCJSDQKDAHULU-KBPBESRZSA-N 0 1 260.385 2.711 20 30 CFEDMN CC(C)(C#N)c1ccccc1CN1CCCC[C@@]1(C)C(N)=O ZINC000185969861 329337572 /nfs/dbraw/zinc/33/75/72/329337572.db2.gz RVYUDFKRGBZBHL-SFHVURJKSA-N 0 1 299.418 2.718 20 30 CFEDMN C=CCC[C@@H](O)CN[C@@H](C)c1nc2c(s1)CCC2 ZINC000459642796 329352953 /nfs/dbraw/zinc/35/29/53/329352953.db2.gz ZTLAFJQFUNOTLB-WDEREUQCSA-N 0 1 266.410 2.610 20 30 CFEDMN C=C(C)C[C@@H](C)C(=O)N1CCNC[C@H]1c1ccccc1 ZINC000571814898 329922679 /nfs/dbraw/zinc/92/26/79/329922679.db2.gz FOAAHCGWPFSOQP-ZBFHGGJFSA-N 0 1 272.392 2.762 20 30 CFEDMN CCN(CCC#N)C(=O)CN(Cc1ccccc1)C(C)C ZINC000079928281 330071890 /nfs/dbraw/zinc/07/18/90/330071890.db2.gz FZTMMJDHIQSZOK-UHFFFAOYSA-N 0 1 287.407 2.659 20 30 CFEDMN C=C[C@H](CO)N[C@@H](C)c1ccc(Cl)cc1OC ZINC000421853829 330088608 /nfs/dbraw/zinc/08/86/08/330088608.db2.gz KIDWBPVPMNEKOW-GXSJLCMTSA-N 0 1 255.745 2.546 20 30 CFEDMN CCC(C#N)(CC)C(=O)Nc1ccc2nc[nH]c2c1 ZINC000528267748 330318107 /nfs/dbraw/zinc/31/81/07/330318107.db2.gz PUDNKFQHMVLVKU-UHFFFAOYSA-N 0 1 256.309 2.831 20 30 CFEDMN C=CCn1cc(CN[C@@H]2C[C@@H](OCCCC)C2(C)C)nn1 ZINC000424299684 330336912 /nfs/dbraw/zinc/33/69/12/330336912.db2.gz VYOLJNRDJVEMRA-HUUCEWRRSA-N 0 1 292.427 2.538 20 30 CFEDMN C=C[C@@](C)(CCOC)c1nc(C2(N)CCCCC2)no1 ZINC000424338416 330343890 /nfs/dbraw/zinc/34/38/90/330343890.db2.gz ACRLMPRSAFQEHI-AWEZNQCLSA-N 0 1 279.384 2.668 20 30 CFEDMN C=C[C@@H](CO)N[C@H](C)c1ccc(OC)cc1Cl ZINC000424350381 330345293 /nfs/dbraw/zinc/34/52/93/330345293.db2.gz OHVYSDXHXVJLTR-ZJUUUORDSA-N 0 1 255.745 2.546 20 30 CFEDMN C=C(C)CN1CCC[C@@H](NC(=O)OC(C)(C)C)C1 ZINC000056316465 330368070 /nfs/dbraw/zinc/36/80/70/330368070.db2.gz KSDNWEURSXEGQW-GFCCVEGCSA-N 0 1 254.374 2.552 20 30 CFEDMN CN1CCC(C#N)(NC(=O)c2ccc(C(C)(C)C)cc2)CC1 ZINC000057629001 330377098 /nfs/dbraw/zinc/37/70/98/330377098.db2.gz RODIGHJTFUMFGM-UHFFFAOYSA-N 0 1 299.418 2.702 20 30 CFEDMN C=CCCS(=O)(=O)Nc1cccc2ccc(C)nc21 ZINC000120168038 330385876 /nfs/dbraw/zinc/38/58/76/330385876.db2.gz MXDKPIGUXNRNHD-UHFFFAOYSA-N 0 1 276.361 2.861 20 30 CFEDMN C=CC[C@H](CC)N[C@@H](C)c1ncc(C(=O)OC)s1 ZINC000315424436 330475430 /nfs/dbraw/zinc/47/54/30/330475430.db2.gz XCAIIWJGKPYZPA-UWVGGRQHSA-N 0 1 268.382 2.935 20 30 CFEDMN C#CCN1CCC(C(=O)N2CCCC[C@H]2CC(C)C)CC1 ZINC000162859015 330745757 /nfs/dbraw/zinc/74/57/57/330745757.db2.gz MOPNYRNDRPSKLC-KRWDZBQOSA-N 0 1 290.451 2.759 20 30 CFEDMN N#C[C@@H]1CC[C@@H](Nc2ccc(CCN3CCOCC3)cc2)C1 ZINC000442877647 330789902 /nfs/dbraw/zinc/78/99/02/330789902.db2.gz XFVCTMWNQQYUMR-SJLPKXTDSA-N 0 1 299.418 2.665 20 30 CFEDMN C=CCCC[C@H](C)N1CCC(S(=O)(=O)CC)CC1 ZINC000444803857 330826620 /nfs/dbraw/zinc/82/66/20/330826620.db2.gz GTEATTYPEOZHCU-ZDUSSCGKSA-N 0 1 273.442 2.630 20 30 CFEDMN C=CCCC[C@H](C)[N@H+]1CCC[C@H](c2n[n-]c(=O)o2)C1 ZINC000450894555 331005386 /nfs/dbraw/zinc/00/53/86/331005386.db2.gz GAGCCXVOFZPTHE-RYUDHWBXSA-N 0 1 265.357 2.699 20 30 CFEDMN C=C[C@@H]1OCCC[C@H]1NCc1nc(-c2ccccc2)c[nH]1 ZINC000451224035 331021108 /nfs/dbraw/zinc/02/11/08/331021108.db2.gz BSYFXVDIKPIVFT-ZBFHGGJFSA-N 0 1 283.375 2.900 20 30 CFEDMN CN(CC#Cc1ccccc1Cl)CC(C)(C)CO ZINC000451254510 331022131 /nfs/dbraw/zinc/02/21/31/331022131.db2.gz PBZBFGPKSVOMHK-UHFFFAOYSA-N 0 1 265.784 2.642 20 30 CFEDMN CC(C)(C#N)CCN1C[C@H](c2ccccc2)[C@](F)(CO)C1 ZINC000451288377 331023247 /nfs/dbraw/zinc/02/32/47/331023247.db2.gz VLMJMPZIJHFJPN-NVXWUHKLSA-N 0 1 290.382 2.726 20 30 CFEDMN CO[C@H]1CCN(CC#Cc2ccc(F)cc2)C[C@@H]1C ZINC000451571252 331034953 /nfs/dbraw/zinc/03/49/53/331034953.db2.gz PYBKVGAUMPMGLU-BBRMVZONSA-N 0 1 261.340 2.534 20 30 CFEDMN C[C@H]1CN(CCC(C)(C)C#N)CCN(CC(F)(F)F)C1 ZINC000451880486 331046119 /nfs/dbraw/zinc/04/61/19/331046119.db2.gz NWKTXOCTSKAGCF-LBPRGKRZSA-N 0 1 291.361 2.742 20 30 CFEDMN OCCC[C@@H]1CCN(CC#Cc2ccccc2Cl)C1 ZINC000452128277 331055125 /nfs/dbraw/zinc/05/51/25/331055125.db2.gz XKBLPIRHXOYKQL-CQSZACIVSA-N 0 1 277.795 2.786 20 30 CFEDMN C=CC(C)(C)CN[C@@H](c1cn[nH]n1)c1ccc(F)cc1 ZINC000453302715 331113443 /nfs/dbraw/zinc/11/34/43/331113443.db2.gz ALGQYDLASINLLA-CQSZACIVSA-N 0 1 274.343 2.835 20 30 CFEDMN C=C(C)CCNC(=O)NC[C@@H](c1ccc(F)cc1)N(C)C ZINC000454532041 331148137 /nfs/dbraw/zinc/14/81/37/331148137.db2.gz HFMRTVBGOMLQEW-HNNXBMFYSA-N 0 1 293.386 2.694 20 30 CFEDMN C=C(C)CCNC(=O)NCc1nc2ccc(C)cc2[nH]1 ZINC000454599626 331149552 /nfs/dbraw/zinc/14/95/52/331149552.db2.gz PHSKCZJPNNECOH-UHFFFAOYSA-N 0 1 272.352 2.637 20 30 CFEDMN C=C(CC)CNC(=O)N(C)CCCN(C)Cc1ccco1 ZINC000455523956 331171944 /nfs/dbraw/zinc/17/19/44/331171944.db2.gz BNTLPINZYJMDTN-UHFFFAOYSA-N 0 1 293.411 2.709 20 30 CFEDMN C=CCC1(CNC(=O)c2[nH]nc3c2CCC3)CCCC1 ZINC000456487944 331194008 /nfs/dbraw/zinc/19/40/08/331194008.db2.gz QNOSYDQLQALXDO-UHFFFAOYSA-N 0 1 273.380 2.765 20 30 CFEDMN C=CCCOCCCCC(=O)N1CCN([C@H](C)CC)CC1 ZINC000456527460 331195118 /nfs/dbraw/zinc/19/51/18/331195118.db2.gz JKESWKSRLPAIPX-MRXNPFEDSA-N 0 1 296.455 2.692 20 30 CFEDMN C=C(C)C[C@@H](C)C(=O)NC[C@H](c1nc[nH]n1)c1ccccc1 ZINC000456686203 331198798 /nfs/dbraw/zinc/19/87/98/331198798.db2.gz IRKCBNLESXPPPW-HIFRSBDPSA-N 0 1 298.390 2.655 20 30 CFEDMN C=CCC1(CNC(=O)N[C@@H](C)c2n[nH]c(C)n2)CCCC1 ZINC000459112806 331270715 /nfs/dbraw/zinc/27/07/15/331270715.db2.gz UVZGZBHNURBLNN-NSHDSACASA-N 0 1 291.399 2.610 20 30 CFEDMN CCOc1ccccc1OCCN[C@H]1CCC[C@@H]1C#N ZINC000459468122 331283096 /nfs/dbraw/zinc/28/30/96/331283096.db2.gz QURMIOKYZDXZHJ-KGLIPLIRSA-N 0 1 274.364 2.746 20 30 CFEDMN COC(=O)c1cccc2c1CCN(CCC(C)(C)C#N)C2 ZINC000459542402 331286771 /nfs/dbraw/zinc/28/67/71/331286771.db2.gz HXHCTNZGRRICNB-UHFFFAOYSA-N 0 1 286.375 2.771 20 30 CFEDMN CC(C)(C)OC(=O)[C@@]1(C)CCN(CC2(C#N)CCC2)C1 ZINC000459564361 331288110 /nfs/dbraw/zinc/28/81/10/331288110.db2.gz QTMRBNJMALYVMU-HNNXBMFYSA-N 0 1 278.396 2.734 20 30 CFEDMN C=CCOc1cccc(CN2CC3(C2)CCCOC3)c1 ZINC000459605353 331290383 /nfs/dbraw/zinc/29/03/83/331290383.db2.gz LPMDQWKJJDWDRP-UHFFFAOYSA-N 0 1 273.376 2.864 20 30 CFEDMN CC#CCCN1C[C@H](C2CCCCC2)C[C@H]1C(=O)OC ZINC000462317149 331319354 /nfs/dbraw/zinc/31/93/54/331319354.db2.gz PNBMSTRKMHMVPA-CVEARBPZSA-N 0 1 277.408 2.844 20 30 CFEDMN C=C[C@@H]1CCCCN1Cc1cccc2c1OCCO2 ZINC000489452732 332053632 /nfs/dbraw/zinc/05/36/32/332053632.db2.gz XADBBKSOUFZBIB-CQSZACIVSA-N 0 1 259.349 2.998 20 30 CFEDMN C=C[C@H]1CCCCN1CC(=O)NCCCc1ccccc1 ZINC000489464107 332054101 /nfs/dbraw/zinc/05/41/01/332054101.db2.gz OHHGBUADTKALLK-KRWDZBQOSA-N 0 1 286.419 2.776 20 30 CFEDMN C=C[C@@H]1CCCCN1Cc1cccc(C(=O)N(C)C)c1 ZINC000489500627 332056889 /nfs/dbraw/zinc/05/68/89/332056889.db2.gz SPEYXWVKTXMGPA-MRXNPFEDSA-N 0 1 272.392 2.929 20 30 CFEDMN C#CCN1CCC(C(=O)N2CCCC3(CCCC3)C2)CC1 ZINC000490720460 332109094 /nfs/dbraw/zinc/10/90/94/332109094.db2.gz RUCJDOUQKOKVKY-UHFFFAOYSA-N 0 1 288.435 2.514 20 30 CFEDMN C#CCN(Cc1cc(OC)cc(C)n1)C1CCCC1 ZINC000490891253 332125272 /nfs/dbraw/zinc/12/52/72/332125272.db2.gz BUKGUBVNAWZEIG-UHFFFAOYSA-N 0 1 258.365 2.776 20 30 CFEDMN C#C[C@@H](NC(=O)c1[nH]nc(C)c1C)c1ccc(Cl)cc1 ZINC000491274890 332178528 /nfs/dbraw/zinc/17/85/28/332178528.db2.gz AXMGXXPBBCNROW-CYBMUJFWSA-N 0 1 287.750 2.784 20 30 CFEDMN C#CCN(Cc1ccnc(N)c1)[C@@H]1CCc2ccccc21 ZINC000491636817 332257760 /nfs/dbraw/zinc/25/77/60/332257760.db2.gz UBVYOKINGAKHNC-QGZVFWFLSA-N 0 1 277.371 2.617 20 30 CFEDMN C#CCn1ccc(CN(CCOC)CC2CCCCC2)n1 ZINC000491642201 332261496 /nfs/dbraw/zinc/26/14/96/332261496.db2.gz ADKPNXIAMCKIPO-UHFFFAOYSA-N 0 1 289.423 2.545 20 30 CFEDMN C#CCN(CC#CC)C(=O)c1cccc(C(F)(F)F)c1O ZINC000491658853 332269651 /nfs/dbraw/zinc/26/96/51/332269651.db2.gz WMFAVDRAVXXZDB-UHFFFAOYSA-N 0 1 295.260 2.510 20 30 CFEDMN C#C[C@H](C)N(C)Cc1nc2ccc(Br)cc2[nH]1 ZINC000491677910 332282737 /nfs/dbraw/zinc/28/27/37/332282737.db2.gz RWSFYLMTPLOFDM-VIFPVBQESA-N 0 1 292.180 2.779 20 30 CFEDMN N#CCc1ccc(CN2CCO[C@@H]3CCC[C@@H]32)cc1 ZINC000335990166 335099224 /nfs/dbraw/zinc/09/92/24/335099224.db2.gz NAHRHRCWGULYTH-JKSUJKDBSA-N 0 1 256.349 2.506 20 30 CFEDMN C#C[C@H](CC)NCc1cn(-c2cccc(F)c2)nc1C ZINC000491724136 332308530 /nfs/dbraw/zinc/30/85/30/332308530.db2.gz DGWFYLBXIILCEO-OAHLLOKOSA-N 0 1 271.339 2.821 20 30 CFEDMN C=C1CCN(C[C@@H](C)NC(=O)OC(C)(C)C)CC1 ZINC000492256410 332389006 /nfs/dbraw/zinc/38/90/06/332389006.db2.gz FFITUCXMWLZWIE-GFCCVEGCSA-N 0 1 254.374 2.552 20 30 CFEDMN C=C(Cl)CN[C@@H]1CCC[C@H]1NC(=O)OC(C)(C)C ZINC000494397922 332472174 /nfs/dbraw/zinc/47/21/74/332472174.db2.gz AWSDQLIRDZCIFL-GHMZBOCLSA-N 0 1 274.792 2.774 20 30 CFEDMN C=C(Cl)CN[C@H]1CCC[C@@H]1NC(=O)OC(C)(C)C ZINC000494397924 332472259 /nfs/dbraw/zinc/47/22/59/332472259.db2.gz AWSDQLIRDZCIFL-QWRGUYRKSA-N 0 1 274.792 2.774 20 30 CFEDMN C[C@@H]1CCCC[C@@]1(CNC(=O)OC(C)(C)C)NCCC#N ZINC000495982949 332535389 /nfs/dbraw/zinc/53/53/89/332535389.db2.gz POBPESNBYXFYSG-CJNGLKHVSA-N 0 1 295.427 2.963 20 30 CFEDMN CCC(CC)(CNCCC#N)NC(=O)OC(C)(C)C ZINC000496629100 332555178 /nfs/dbraw/zinc/55/51/78/332555178.db2.gz WGZQOHAVODZQBI-UHFFFAOYSA-N 0 1 269.389 2.573 20 30 CFEDMN C#C[C@H](C)N(C)Cc1cc(Br)cs1 ZINC000307105891 333012373 /nfs/dbraw/zinc/01/23/73/333012373.db2.gz YACHZZNSPGUACH-QMMMGPOBSA-N 0 1 258.184 2.964 20 30 CFEDMN C=CCNC(=O)CSc1nc(C)c(-c2ccccc2)[nH]1 ZINC000187146442 333168041 /nfs/dbraw/zinc/16/80/41/333168041.db2.gz PIGUMVIYJVJHPX-UHFFFAOYSA-N 0 1 287.388 2.779 20 30 CFEDMN C[C@H](NC[C@H](C#N)CCC#N)c1cccc(-n2cccn2)c1 ZINC000173206329 335129659 /nfs/dbraw/zinc/12/96/59/335129659.db2.gz MSDCBDRSBLVGEE-GJZGRUSLSA-N 0 1 293.374 2.966 20 30 CFEDMN C=CC[N@@H+](Cc1ccccc1F)CC1(C(=O)[O-])CC1 ZINC000576114568 335156464 /nfs/dbraw/zinc/15/64/64/335156464.db2.gz XTCLAGWFOQMKBG-UHFFFAOYSA-N 0 1 263.312 2.679 20 30 CFEDMN CCOC(=O)[C@@H](CC(C)C)N1CCC(CC#N)CC1 ZINC000542049444 333808699 /nfs/dbraw/zinc/80/86/99/333808699.db2.gz HEYSXBKBOQJFQS-CQSZACIVSA-N 0 1 266.385 2.590 20 30 CFEDMN CCOC(=O)c1ccc(CN2CCC(CC#N)CC2)o1 ZINC000543779446 333898167 /nfs/dbraw/zinc/89/81/67/333898167.db2.gz GLVSVHSAGISJJT-UHFFFAOYSA-N 0 1 276.336 2.582 20 30 CFEDMN COc1ccc(CN2CCC(CC#N)CC2)cc1O ZINC000543779640 333898394 /nfs/dbraw/zinc/89/83/94/333898394.db2.gz FZWLIYXZSPRBHQ-UHFFFAOYSA-N 0 1 260.337 2.526 20 30 CFEDMN N#CC(C(=O)c1cc(C2CCCCC2)[nH]n1)c1ccncn1 ZINC000546153733 334016706 /nfs/dbraw/zinc/01/67/06/334016706.db2.gz TUKWWNCCTTZCDO-LBPRGKRZSA-N 0 1 295.346 2.737 20 30 CFEDMN C[C@H](C(=O)N(CCC#N)c1ccccc1)[N@@H+](C)CC1CC1 ZINC000077194548 334097959 /nfs/dbraw/zinc/09/79/59/334097959.db2.gz HPYLZROKVXZTPE-CQSZACIVSA-N 0 1 285.391 2.664 20 30 CFEDMN C=C[C@H](CC(=O)NC[C@H]1CCC[N@@H+]1C)c1ccccc1 ZINC000134624280 334098060 /nfs/dbraw/zinc/09/80/60/334098060.db2.gz QZNOVDNQZGCRJP-GDBMZVCRSA-N 0 1 272.392 2.557 20 30 CFEDMN N#C[C@H]1CC[C@H](N2CCC(C#N)(c3ccccn3)CC2)C1 ZINC000550067125 334212332 /nfs/dbraw/zinc/21/23/32/334212332.db2.gz NAODLXRIHNFDDR-GJZGRUSLSA-N 0 1 280.375 2.631 20 30 CFEDMN CC(C)(C)c1ncc(CN2CCC(CC#N)CC2)cn1 ZINC000551803015 334262267 /nfs/dbraw/zinc/26/22/67/334262267.db2.gz DBGCGWSENLSNBA-UHFFFAOYSA-N 0 1 272.396 2.900 20 30 CFEDMN C=C(C)C[C@@H](C)C(=O)N1CCN(CCOC)[C@H](CCC)C1 ZINC000248620891 334309537 /nfs/dbraw/zinc/30/95/37/334309537.db2.gz LKFPVCOGZZEMSX-HZPDHXFCSA-N 0 1 296.455 2.548 20 30 CFEDMN C[C@@H]1CCN(Cc2ccccc2C(C)(C)C#N)[C@@H](C(N)=O)C1 ZINC000249553126 334336406 /nfs/dbraw/zinc/33/64/06/334336406.db2.gz IUBKXBSHKMADCF-CZUORRHYSA-N 0 1 299.418 2.574 20 30 CFEDMN CCN(C[C@@H](C)C#N)C(=O)CN(C)[C@H](C)c1ccccc1 ZINC000249728081 334339573 /nfs/dbraw/zinc/33/95/73/334339573.db2.gz RIJGRXXHGLWBAM-LSDHHAIUSA-N 0 1 287.407 2.688 20 30 CFEDMN CCOc1cccc([C@@H]2C[C@H]2NC[C@@H](C#N)CCC#N)c1 ZINC000580614191 335300520 /nfs/dbraw/zinc/30/05/20/335300520.db2.gz LPWJJDQZYHGKSR-XOKHGSTOSA-N 0 1 283.375 2.974 20 30 CFEDMN C=CCCC[C@@H](C)NC(=O)c1n[nH]nc1-c1ccccc1 ZINC000194225983 336009856 /nfs/dbraw/zinc/00/98/56/336009856.db2.gz OABUTOJXLMLDBB-GFCCVEGCSA-N 0 1 284.363 2.946 20 30 CFEDMN C=CCCN1CC[C@@H]1CN(C)C(=O)c1sccc1F ZINC001085583356 782105953 /nfs/dbraw/zinc/10/59/53/782105953.db2.gz HDLKEVXBIALWRJ-LLVKDONJSA-N 0 1 282.384 2.610 20 30 CFEDMN C=C(C)CN1CC[C@@H]1CN(C)C(=O)c1ccsc1C ZINC001085585840 782106189 /nfs/dbraw/zinc/10/61/89/782106189.db2.gz JZXVWEWINGOUGJ-CYBMUJFWSA-N 0 1 278.421 2.779 20 30 CFEDMN C#CCCN1CC[C@@H]1CN(C)C(=O)[C@H]1CCC(C)=C(C)C1 ZINC001085614198 782114215 /nfs/dbraw/zinc/11/42/15/782114215.db2.gz IGBLQROAGCEXMU-DLBZAZTESA-N 0 1 288.435 2.679 20 30 CFEDMN C=C(C)CN1CC[C@@H]1CN(C)C(=O)c1c[nH]c2ccccc12 ZINC001085703087 782136141 /nfs/dbraw/zinc/13/61/41/782136141.db2.gz HXNACQLMNKXACC-CQSZACIVSA-N 0 1 297.402 2.890 20 30 CFEDMN C=C(C)CN1CC[C@H]1CN(C)C(=O)[C@@H]1C[C@H]1C(C)(C)C ZINC001085719296 782142858 /nfs/dbraw/zinc/14/28/58/782142858.db2.gz PMNFJKYXGAXFIT-RRFJBIMHSA-N 0 1 278.440 2.777 20 30 CFEDMN COc1cc(C#N)nc(-c2ccc(O)c(F)c2F)c1 ZINC001243341690 782146386 /nfs/dbraw/zinc/14/63/86/782146386.db2.gz QHHJWIMHEAXVJL-UHFFFAOYSA-N 0 1 262.215 2.613 20 30 CFEDMN C=C(C)CN1CC[C@@H]1CN(C)C(=O)[C@H]1CC[C@@H]2C[C@@H]2CC1 ZINC001085738032 782147357 /nfs/dbraw/zinc/14/73/57/782147357.db2.gz DNMAOPFJEDOKLI-YYIAUSFCSA-N 0 1 290.451 2.922 20 30 CFEDMN Cn1c(-c2cc3[nH]cnc3c(C#N)n2)cc2ccccc21 ZINC001243351851 782150665 /nfs/dbraw/zinc/15/06/65/782150665.db2.gz PUIZCWJSHDSGHQ-UHFFFAOYSA-N 0 1 273.299 2.988 20 30 CFEDMN C[C@@H](C#N)CN(CCCCCn1cccn1)C1CC1 ZINC000338351213 500876312 /nfs/dbraw/zinc/87/63/12/500876312.db2.gz NVAHVZDMLWETDB-AWEZNQCLSA-N 0 1 260.385 2.677 20 30 CFEDMN O=C(Nc1nncn1C1CC1)[C@@H]1CCCN1C1CCCC1 ZINC000329114639 534335230 /nfs/dbraw/zinc/33/52/30/534335230.db2.gz MFMDBLPHFZCNMT-ZDUSSCGKSA-N 0 1 289.383 2.608 20 30 CFEDMN CC(C)C[C@H]1COCCN1CCOc1ccc(C#N)cc1 ZINC000072978805 519417663 /nfs/dbraw/zinc/41/76/63/519417663.db2.gz MDCOLKXCYOMYHY-INIZCTEOSA-N 0 1 288.391 2.684 20 30 CFEDMN CCCCN(CCO)Cc1ccc(C#N)cc1Cl ZINC000162881555 520522848 /nfs/dbraw/zinc/52/28/48/520522848.db2.gz OXRPAJUFVIFVJD-UHFFFAOYSA-N 0 1 266.772 2.806 20 30 CFEDMN Cc1occc1CN1CC[C@H](Oc2ccc(C#N)cn2)C1 ZINC000414455141 534571805 /nfs/dbraw/zinc/57/18/05/534571805.db2.gz ROBDUPMBKDIKLT-HNNXBMFYSA-N 0 1 283.331 2.508 20 30 CFEDMN Cc1cnc([C@H](C)NC(=O)[C@H]2CCCN2C2CC2)o1 ZINC000330233806 534631043 /nfs/dbraw/zinc/63/10/43/534631043.db2.gz SIRZPPSPUYNUCE-CMPLNLGQSA-N 0 1 263.341 2.627 20 30 CFEDMN CC[C@@H](C)c1nc([C@@H](C)NC(=O)c2ccc(C#N)cc2)n[nH]1 ZINC000276839146 522437829 /nfs/dbraw/zinc/43/78/29/522437829.db2.gz AKRZDJXMZHTFNY-GHMZBOCLSA-N 0 1 297.362 2.681 20 30 CFEDMN CN(CCC(=O)Nc1cccc(C#N)c1)Cc1ccoc1 ZINC000048910320 522680575 /nfs/dbraw/zinc/68/05/75/522680575.db2.gz BKKATUOMOFSHLA-UHFFFAOYSA-N 0 1 283.331 2.612 20 30 CFEDMN COc1ccc(C#N)cc1CN1CCC[C@@H](n2cccn2)C1 ZINC000158081183 523524900 /nfs/dbraw/zinc/52/49/00/523524900.db2.gz BTUDAPZXLJNKKJ-MRXNPFEDSA-N 0 1 296.374 2.600 20 30 CFEDMN N#CC(C(=O)c1cncc2ccccc21)c1ccncn1 ZINC000354476603 534740384 /nfs/dbraw/zinc/74/03/84/534740384.db2.gz ZRFPGLYZHOSSNE-ZDUSSCGKSA-N 0 1 274.283 2.515 20 30 CFEDMN CC[C@H](C)N(CCO)Cc1ccc(C#N)cc1Cl ZINC000310636801 523937536 /nfs/dbraw/zinc/93/75/36/523937536.db2.gz RBWVXAAKIZPFHA-NSHDSACASA-N 0 1 266.772 2.804 20 30 CFEDMN C[C@H]1[C@H](C(F)(F)F)CCN1Cc1cc(C#N)n(C)c1 ZINC000334782040 525100001 /nfs/dbraw/zinc/10/00/01/525100001.db2.gz SADUZVMQTVSMAB-JOYOIKCWSA-N 0 1 271.286 2.669 20 30 CFEDMN C[C@@H]1CSC[C@H]1NCc1ccc(F)cc1C#N ZINC000335149970 525178187 /nfs/dbraw/zinc/17/81/87/525178187.db2.gz CBMDHGXYHHBTMU-NOZJJQNGSA-N 0 1 250.342 2.538 20 30 CFEDMN Cc1n[nH]cc1CN(C)[C@H](C)c1cccc(C#N)c1 ZINC000425368115 534852826 /nfs/dbraw/zinc/85/28/26/534852826.db2.gz VUMKYUACOAMVAZ-GFCCVEGCSA-N 0 1 254.337 2.783 20 30 CFEDMN Cc1c(C#N)cccc1C(=O)N1C[C@@H]2CCCCN2C[C@H]1C ZINC000337852363 525537801 /nfs/dbraw/zinc/53/78/01/525537801.db2.gz JVTZLVMWGLPZFT-CJNGLKHVSA-N 0 1 297.402 2.566 20 30 CFEDMN Cc1ccsc1CN(C)Cc1cc(C#N)n(C)c1 ZINC000361008189 525838977 /nfs/dbraw/zinc/83/89/77/525838977.db2.gz CVTJGDRQDBSOJP-UHFFFAOYSA-N 0 1 259.378 2.899 20 30 CFEDMN C[C@H](C(=O)Nc1cccc(C#N)c1)N1CC[C@@H](C)[C@@H](C)C1 ZINC000228201992 526152378 /nfs/dbraw/zinc/15/23/78/526152378.db2.gz GSMUNRVBGGGVCN-HZSPNIEDSA-N 0 1 285.391 2.863 20 30 CFEDMN C=CC[N@H+](CCCC(=O)[O-])Cc1ccccc1F ZINC000116368358 526272370 /nfs/dbraw/zinc/27/23/70/526272370.db2.gz HKRZBSLCNMORFW-UHFFFAOYSA-N 0 1 251.301 2.679 20 30 CFEDMN CNC(=O)C1CCC(NC(=O)[C@@H]2CCCN2C2CC2)CC1 ZINC000330270235 526397031 /nfs/dbraw/zinc/39/70/31/526397031.db2.gz TURBWKCBCGGERO-YIZWMMSDSA-N 0 1 293.411 2.715 20 30 CFEDMN CNC(=O)[C@@H]1CCC[C@H]1NCc1nc(C2CC2)cs1 ZINC000329202396 526406453 /nfs/dbraw/zinc/40/64/53/526406453.db2.gz VYYREEJENAXZAL-GHMZBOCLSA-N 0 1 279.409 2.865 20 30 CFEDMN N#Cc1c(CN2CCC[C@]3(CCOC3)C2)cn2ccccc12 ZINC000334818870 526518192 /nfs/dbraw/zinc/51/81/92/526518192.db2.gz HKEDKLSTRBYCIY-SFHVURJKSA-N 0 1 295.386 2.813 20 30 CFEDMN N#Cc1ccc(CN2CCC[C@]3(CCOC3)C2)c(F)c1 ZINC000336225036 526613586 /nfs/dbraw/zinc/61/35/86/526613586.db2.gz YOANWBALECKAIL-INIZCTEOSA-N 0 1 274.339 2.700 20 30 CFEDMN N#Cc1ccc(CN[C@@H](CO)c2ccc(F)cc2)cc1F ZINC000361745395 526624865 /nfs/dbraw/zinc/62/48/65/526624865.db2.gz IKVMLBAQIYYUSK-INIZCTEOSA-N 0 1 288.297 2.660 20 30 CFEDMN N#Cc1ccc(CN[C@]2(CO)CCc3ccccc32)s1 ZINC000135894233 526628163 /nfs/dbraw/zinc/62/81/63/526628163.db2.gz GZDXKDVSPBWFLG-INIZCTEOSA-N 0 1 284.384 2.543 20 30 CFEDMN N#Cc1ccc(NC(=O)CN2CCC3(CCCC3)C2)cc1 ZINC000173827653 526651452 /nfs/dbraw/zinc/65/14/52/526651452.db2.gz MIDAHPQJOHJUHP-UHFFFAOYSA-N 0 1 283.375 2.763 20 30 CFEDMN N#Cc1cccc(CN2CCC[C@](O)(C(F)(F)F)CC2)c1 ZINC000314704439 526703525 /nfs/dbraw/zinc/70/35/25/526703525.db2.gz CETYOOIMRZBTRP-CQSZACIVSA-N 0 1 298.308 2.838 20 30 CFEDMN N#Cc1cccc(CNCc2cnn(CC(F)(F)F)c2)c1 ZINC000315145492 526710047 /nfs/dbraw/zinc/71/00/47/526710047.db2.gz UNYVMFHGXNIOOB-UHFFFAOYSA-N 0 1 294.280 2.607 20 30 CFEDMN C=C(C)C[C@H](C)C(=O)N[C@H](c1nnc[nH]1)c1ccccc1 ZINC000344468407 526713446 /nfs/dbraw/zinc/71/34/46/526713446.db2.gz BLCHIVFKDNKXHM-JSGCOSHPSA-N 0 1 284.363 2.613 20 30 CFEDMN N#Cc1cccnc1NC[C@H](c1ccco1)N1CCCC1 ZINC000068838644 526755130 /nfs/dbraw/zinc/75/51/30/526755130.db2.gz TZTPVBYIMICQLS-CQSZACIVSA-N 0 1 282.347 2.795 20 30 CFEDMN COC[C@H]1CCCCN1Cc1ccc(C#N)cc1OC ZINC000452039811 536505916 /nfs/dbraw/zinc/50/59/16/536505916.db2.gz PBPGIBIVMJEWIV-OAHLLOKOSA-N 0 1 274.364 2.568 20 30 CFEDMN C=CCCCNC(=O)CCc1nc2cccc(C)c2[nH]1 ZINC000344460478 527213384 /nfs/dbraw/zinc/21/33/84/527213384.db2.gz QWSRUTCCBICNIO-UHFFFAOYSA-N 0 1 271.364 2.886 20 30 CFEDMN C=CCc1ccccc1OC[C@@H](O)CN1CC[C@](C)(F)C1 ZINC000347346670 527262566 /nfs/dbraw/zinc/26/25/66/527262566.db2.gz HOWALRPOOZCZIG-RDJZCZTQSA-N 0 1 293.382 2.589 20 30 CFEDMN C=CCc1ccccc1OC[C@H](O)CN1CC[C@](C)(F)C1 ZINC000347346672 527264670 /nfs/dbraw/zinc/26/46/70/527264670.db2.gz HOWALRPOOZCZIG-WBVHZDCISA-N 0 1 293.382 2.589 20 30 CFEDMN C=CCCO[C@@H](C)C(=O)N(C)Cc1cc(C(C)(C)C)[nH]n1 ZINC000347484594 527370160 /nfs/dbraw/zinc/37/01/60/527370160.db2.gz DQNQQFHSSXXWKJ-LBPRGKRZSA-N 0 1 293.411 2.647 20 30 CFEDMN CC(C)=CCN1CCC(C#N)(c2ccccn2)CC1 ZINC000335919399 527428544 /nfs/dbraw/zinc/42/85/44/527428544.db2.gz ZFIZXOJAVVXYIK-UHFFFAOYSA-N 0 1 255.365 2.905 20 30 CFEDMN C=CCC[C@@H](NC(=O)N1CCN[C@@H](C)C1)c1ccccc1 ZINC000417907162 527440018 /nfs/dbraw/zinc/44/00/18/527440018.db2.gz DNYDWYQLDYGSEZ-GOEBONIOSA-N 0 1 287.407 2.697 20 30 CFEDMN C=C[C@@H]1CCCCN1C(=O)c1c[nH]c2ccccc2c1=O ZINC000336121728 527454541 /nfs/dbraw/zinc/45/45/41/527454541.db2.gz XPCLGGQIHJJBLF-GFCCVEGCSA-N 0 1 282.343 2.709 20 30 CFEDMN CC(C)(C#N)CC(=O)Nc1ccc(F)c(F)c1O ZINC000334746037 527459232 /nfs/dbraw/zinc/45/92/32/527459232.db2.gz AZLUUXXUGSQRPY-UHFFFAOYSA-N 0 1 254.236 2.549 20 30 CFEDMN CC(C)C[C@@H](N)c1noc(CNc2ccc(C#N)cc2)n1 ZINC000414623068 528349574 /nfs/dbraw/zinc/34/95/74/528349574.db2.gz TVDJUJLITLCQEE-CYBMUJFWSA-N 0 1 285.351 2.599 20 30 CFEDMN CCC(=O)c1ccc(O)c(NC(=O)C2(C#N)CCC2)c1 ZINC000332485788 528458981 /nfs/dbraw/zinc/45/89/81/528458981.db2.gz WMDFEXBBODCQDB-UHFFFAOYSA-N 0 1 272.304 2.617 20 30 CFEDMN CC[C@H](C)c1nc([C@@H](C)Nc2ncc(C#N)cc2F)n[nH]1 ZINC000413268982 529276807 /nfs/dbraw/zinc/27/68/07/529276807.db2.gz SSINNCRIOQPAGT-DTWKUNHWSA-N 0 1 288.330 2.897 20 30 CFEDMN CC[C@H](C)c1nc([C@H](C)N[C@H]2CC[C@@H](C#N)C2)n[nH]1 ZINC000442851527 529278120 /nfs/dbraw/zinc/27/81/20/529278120.db2.gz FCALYYHIOBVHMW-YFKTTZPYSA-N 0 1 261.373 2.661 20 30 CFEDMN COc1ccc(C=C(C)c2nc(C)c(C#N)c(=O)[nH]2)cc1C ZINC000435337881 536571110 /nfs/dbraw/zinc/57/11/10/536571110.db2.gz ZGTXTZQPJQSLRI-FLIBITNWSA-N 0 1 295.342 2.828 20 30 CFEDMN COc1ccc(C=C(C)c2nc(C)c(C#N)c(=O)[nH]2)cc1F ZINC000435336081 536571368 /nfs/dbraw/zinc/57/13/68/536571368.db2.gz MJVWRLJVAYZNLC-TWGQIWQCSA-N 0 1 299.305 2.658 20 30 CFEDMN CO[C@@H]1C[C@@H](NCc2cccc(F)c2C#N)C12CCC2 ZINC000459744779 536796264 /nfs/dbraw/zinc/79/62/64/536796264.db2.gz DTEGEUFGBYZFGW-HUUCEWRRSA-N 0 1 274.339 2.745 20 30 CFEDMN C=CCCN1CC[C@H]1CN(C)C(=O)c1occc1Cl ZINC001085801173 782171768 /nfs/dbraw/zinc/17/17/68/782171768.db2.gz LKCGGOANHKCSSL-NSHDSACASA-N 0 1 282.771 2.655 20 30 CFEDMN C=C(C)CN1CC[C@H]1CN(C)C(=O)C1CCC(F)CC1 ZINC001085801248 782171793 /nfs/dbraw/zinc/17/17/93/782171793.db2.gz NKBGNHLGKWFHHL-NRXISQOPSA-N 0 1 282.403 2.624 20 30 CFEDMN C=C(C)CN1CC[C@@H]1CN(C)C(=O)[C@@H]1C[C@H]1CC(C)C ZINC001085829428 782177942 /nfs/dbraw/zinc/17/79/42/782177942.db2.gz XDADJRVBFAKCJU-BZUAXINKSA-N 0 1 278.440 2.777 20 30 CFEDMN N#Cc1ccc(O)c(NC(=O)[C@@]23CCO[C@H]2CCCC3)c1 ZINC000935107538 649876289 /nfs/dbraw/zinc/87/62/89/649876289.db2.gz IFNLRTBISFMFNO-HOCLYGCPSA-N 0 1 286.331 2.552 20 30 CFEDMN CC(C)[C@H]1C[C@H](C(=O)Nc2cc(C#N)ccc2O)CCO1 ZINC000935108201 649876593 /nfs/dbraw/zinc/87/65/93/649876593.db2.gz NKUFBFZZSJNVFY-IUODEOHRSA-N 0 1 288.347 2.654 20 30 CFEDMN C[C@H]1CC(NC(=O)c2ccsc2C(F)F)=NO1 ZINC000935137179 649879255 /nfs/dbraw/zinc/87/92/55/649879255.db2.gz TXQQSGGKUZGKML-YFKPBYRVSA-N 0 1 260.265 2.538 20 30 CFEDMN C=C(C)CN1CC[C@@H]1CN(C)C(=O)c1ccc(C)cc1F ZINC001085834921 782180312 /nfs/dbraw/zinc/18/03/12/782180312.db2.gz XFSKICBHPHZDJB-CQSZACIVSA-N 0 1 290.382 2.857 20 30 CFEDMN CC(=NNC1=N[C@H]2CCCC[C@@H]2N1)c1cc(F)ccc1F ZINC000753936443 574056818 /nfs/dbraw/zinc/05/68/18/574056818.db2.gz UMRNROBVTHNGFL-KBPBESRZSA-N 0 1 292.333 2.549 20 30 CFEDMN CC(=NNC1=N[C@H]2CCCC[C@@H]2N1)c1ccc2c(c1)CCC2 ZINC000753937634 574056883 /nfs/dbraw/zinc/05/68/83/574056883.db2.gz YLWPIVYJUIYZEE-IRXDYDNUSA-N 0 1 296.418 2.759 20 30 CFEDMN Clc1ccccc1C=NNC1=N[C@H]2CCCC[C@@H]2N1 ZINC000753940767 574057165 /nfs/dbraw/zinc/05/71/65/574057165.db2.gz VJJCFTDZZVWRPA-STQMWFEESA-N 0 1 276.771 2.534 20 30 CFEDMN C[C@@H]1CC(N=Nc2ncccc2Cl)CN1C1CC1 ZINC000753956779 574058960 /nfs/dbraw/zinc/05/89/60/574058960.db2.gz WNAMNBNTXZKALH-SECBINFHSA-N 0 1 264.760 2.760 20 30 CFEDMN C[C@H](C#N)Oc1ccc(C=NNc2ccccn2)cc1 ZINC000727684711 574060454 /nfs/dbraw/zinc/06/04/54/574060454.db2.gz YDWZJKNJHJOVHC-GFCCVEGCSA-N 0 1 266.304 2.818 20 30 CFEDMN CC[C@H](C(=O)OCc1ccc(C#N)cc1F)N(CC)CC ZINC000741033230 574072745 /nfs/dbraw/zinc/07/27/45/574072745.db2.gz RPJOSSSRVQAHHS-OAHLLOKOSA-N 0 1 292.354 2.861 20 30 CFEDMN CN(C)c1cc(CNC2(c3cccc(C#N)c3)CC2)ccn1 ZINC000754164635 574079491 /nfs/dbraw/zinc/07/94/91/574079491.db2.gz XPYXFAKRKFCBPV-UHFFFAOYSA-N 0 1 292.386 2.798 20 30 CFEDMN COc1ccc(CCNN=C2CN(C(C)C)C[C@@H]2C)cc1 ZINC000754256541 574084383 /nfs/dbraw/zinc/08/43/83/574084383.db2.gz BCGHMUSDFKWTDZ-AWEZNQCLSA-N 0 1 289.423 2.543 20 30 CFEDMN CC(C)N1CC(=NNC(=S)Nc2ccccc2)[C@H](C)C1 ZINC000754253842 574084556 /nfs/dbraw/zinc/08/45/56/574084556.db2.gz HHSCHPCISSBPOC-GFCCVEGCSA-N 0 1 290.436 2.689 20 30 CFEDMN CC(C)N1CC(=NNCc2cccc(F)c2)[C@H](C)C1 ZINC000754258356 574084792 /nfs/dbraw/zinc/08/47/92/574084792.db2.gz LNRZFFBAYPNCHT-GFCCVEGCSA-N 0 1 263.360 2.631 20 30 CFEDMN CCn1c(C)cc(C=NNCCN2CCCCC2)c1C ZINC000728226116 574087287 /nfs/dbraw/zinc/08/72/87/574087287.db2.gz IOTNWMCQEBOBPC-UHFFFAOYSA-N 0 1 276.428 2.534 20 30 CFEDMN CC#CCOC(=O)[C@@H]1CCCN(Cc2cccc(F)c2)C1 ZINC000745091803 574100975 /nfs/dbraw/zinc/10/09/75/574100975.db2.gz AEGMNPHOSBRIBI-OAHLLOKOSA-N 0 1 289.350 2.604 20 30 CFEDMN COC(C)(C)C(=O)[C@@H](C#N)c1nc2ccccc2s1 ZINC000730917078 574103675 /nfs/dbraw/zinc/10/36/75/574103675.db2.gz GEYFKWMVUVGUOF-SECBINFHSA-N 0 1 274.345 2.898 20 30 CFEDMN COc1cc(CN=Nc2nc3ccccc3n2C)ccc1O ZINC000728775891 574108122 /nfs/dbraw/zinc/10/81/22/574108122.db2.gz FECKQIGJXAAXBB-UHFFFAOYSA-N 0 1 296.330 2.734 20 30 CFEDMN C#CCOc1ccccc1C=NNc1ccc(F)cn1 ZINC000731318715 574116474 /nfs/dbraw/zinc/11/64/74/574116474.db2.gz LJPNXTOZCRYIRM-UHFFFAOYSA-N 0 1 269.279 2.679 20 30 CFEDMN CCOc1ccc(CN=Nc2ccc(F)cn2)c(O)c1 ZINC000731321133 574116550 /nfs/dbraw/zinc/11/65/50/574116550.db2.gz DDIZMCXMNSTGIR-UHFFFAOYSA-N 0 1 275.283 2.771 20 30 CFEDMN COc1ccc(C=NNc2ccc(F)cn2)c(OC)c1 ZINC000731319019 574116870 /nfs/dbraw/zinc/11/68/70/574116870.db2.gz QUMHRMDGRICEAL-UHFFFAOYSA-N 0 1 275.283 2.684 20 30 CFEDMN CC(=O)Nc1ccc(C=NNc2ccc(F)cn2)cc1 ZINC000731318766 574116916 /nfs/dbraw/zinc/11/69/16/574116916.db2.gz LWILMIFGSGKWFF-UHFFFAOYSA-N 0 1 272.283 2.625 20 30 CFEDMN Cc1cc(C=NN=c2[nH]c3ccccc3[nH]2)c(C)n1C ZINC000754910100 574127882 /nfs/dbraw/zinc/12/78/82/574127882.db2.gz HIVMJLKKLOZFBC-UHFFFAOYSA-N 0 1 267.336 2.964 20 30 CFEDMN Cc1ccc2cc(C(C)N=Nc3nccn(C)c3=O)oc2c1 ZINC000754949663 574129089 /nfs/dbraw/zinc/12/90/89/574129089.db2.gz IPDRACGGRBITPU-UHFFFAOYSA-N 0 1 296.330 2.671 20 30 CFEDMN Cc1cc(C=NNc2ccncc2Cl)c(C)n1C ZINC000754948951 574129272 /nfs/dbraw/zinc/12/92/72/574129272.db2.gz BWWCUSJQMVQHRA-UHFFFAOYSA-N 0 1 262.744 2.558 20 30 CFEDMN Cc1ccc2nc(CN=Cc3ccc(O)c(O)c3O)[nH]c2c1 ZINC000745976042 574130099 /nfs/dbraw/zinc/13/00/99/574130099.db2.gz DLVUKRMQLQEEPW-REZTVBANSA-N 0 1 297.314 2.607 20 30 CFEDMN CS(=O)(=O)c1ccccc1N=NCc1ccc(F)cc1 ZINC000731934170 574134962 /nfs/dbraw/zinc/13/49/62/574134962.db2.gz UYIUDYUYOCHFKY-UHFFFAOYSA-N 0 1 292.335 2.675 20 30 CFEDMN Cc1cc(N=NCc2cnc(C(C)(C)C)s2)ncn1 ZINC000731935699 574135513 /nfs/dbraw/zinc/13/55/13/574135513.db2.gz MSQDCBZPROVSKP-UHFFFAOYSA-N 0 1 275.381 2.985 20 30 CFEDMN C#CCN(CC(=O)NCc1cccc(C)c1)C1CCCCC1 ZINC000732200145 574146418 /nfs/dbraw/zinc/14/64/18/574146418.db2.gz QLYHCBKLAVJHRN-UHFFFAOYSA-N 0 1 298.430 2.879 20 30 CFEDMN CCc1cccc(NC(=O)CNCc2cccc(C#N)c2)c1 ZINC000732230538 574146928 /nfs/dbraw/zinc/14/69/28/574146928.db2.gz KWATZSAEVHZKIX-UHFFFAOYSA-N 0 1 293.370 2.849 20 30 CFEDMN CC(=NNc1ccc(C)cn1)c1ccc([S@](C)=O)cc1 ZINC000746370795 574146969 /nfs/dbraw/zinc/14/69/69/574146969.db2.gz PQFQXBCMPAWHKM-FQEVSTJZSA-N 0 1 287.388 2.964 20 30 CFEDMN CCCCCCCCNC(=O)[C@@H]1CCCCN1C ZINC000755215436 574147583 /nfs/dbraw/zinc/14/75/83/574147583.db2.gz HSYWUFPHPAFSMR-AWEZNQCLSA-N 0 1 254.418 2.947 20 30 CFEDMN CC[C@H](C)c1ccc(C(=O)NC2(C#N)CCN(C)CC2)cc1 ZINC000755336899 574155248 /nfs/dbraw/zinc/15/52/48/574155248.db2.gz VVHPULPEVLFYHI-AWEZNQCLSA-N 0 1 299.418 2.918 20 30 CFEDMN Oc1c(F)cc(C=NOCc2cccnc2)cc1F ZINC000746575808 574155527 /nfs/dbraw/zinc/15/55/27/574155527.db2.gz DAYZSQPMXRUQNL-UHFFFAOYSA-N 0 1 264.231 2.616 20 30 CFEDMN Cc1ccc(N=NCc2coc3ccccc23)nn1 ZINC000746576257 574155636 /nfs/dbraw/zinc/15/56/36/574155636.db2.gz NOBLUCLAUSYHEB-UHFFFAOYSA-N 0 1 252.277 2.977 20 30 CFEDMN CCn1cc(C=NNc2nccc3sccc32)cn1 ZINC000732528018 574159805 /nfs/dbraw/zinc/15/98/05/574159805.db2.gz CPEGBHYXPWZMPP-UHFFFAOYSA-N 0 1 271.349 2.959 20 30 CFEDMN C=CCOCC(=O)N[C@@H](C)c1nc2ccc(Cl)cc2[nH]1 ZINC000732540367 574160509 /nfs/dbraw/zinc/16/05/09/574160509.db2.gz DOLGNBBVIHRKAK-VIFPVBQESA-N 0 1 293.754 2.596 20 30 CFEDMN O=[N+]([O-])c1ccccc1N=NCc1cccc(F)c1O ZINC000755464788 574163514 /nfs/dbraw/zinc/16/35/14/574163514.db2.gz BMTAHOCDCGBOCQ-UHFFFAOYSA-N 0 1 275.239 2.886 20 30 CFEDMN CC(C)NC(=O)C(C#N)C(=O)[C@@H](C)CCC(C)(C)C ZINC000755604899 574171488 /nfs/dbraw/zinc/17/14/88/574171488.db2.gz VPYBCGNMLZAOKS-RYUDHWBXSA-N 0 1 266.385 2.682 20 30 CFEDMN Cc1nc[nH]c1C=NNc1cccc(Br)c1 ZINC000755624310 574172795 /nfs/dbraw/zinc/17/27/95/574172795.db2.gz IWXRRKTZTMCYBX-UHFFFAOYSA-N 0 1 279.141 2.927 20 30 CFEDMN Cc1cc(N=NCc2c(O)cccc2Cl)nc(C)n1 ZINC000755648354 574174746 /nfs/dbraw/zinc/17/47/46/574174746.db2.gz NFXQZYAKOYZUEN-UHFFFAOYSA-N 0 1 276.727 2.898 20 30 CFEDMN C(=NNCCN1CCCCC1)c1cccc2[nH]ccc21 ZINC000755654935 574175695 /nfs/dbraw/zinc/17/56/95/574175695.db2.gz AGPKJDZAGFZGJT-UHFFFAOYSA-N 0 1 270.380 2.577 20 30 CFEDMN CCC(=NNc1cccc([N+](=O)[O-])c1C)c1nccn1C ZINC000755697225 574178422 /nfs/dbraw/zinc/17/84/22/574178422.db2.gz HCHHWLOOTLQZQL-UHFFFAOYSA-N 0 1 287.323 2.863 20 30 CFEDMN Cc1nn(-c2ccccc2)cc1C=NNc1cc(C)ncn1 ZINC000755726482 574181324 /nfs/dbraw/zinc/18/13/24/574181324.db2.gz CRORJFYEKMXMPC-UHFFFAOYSA-N 0 1 292.346 2.725 20 30 CFEDMN Oc1ccc(CN=Nc2cc(F)c(F)cc2F)nc1 ZINC000755731550 574182079 /nfs/dbraw/zinc/18/20/79/574182079.db2.gz VBSRWQGXZFOSFG-UHFFFAOYSA-N 0 1 267.210 2.651 20 30 CFEDMN CC[C@@H](OC)C(=O)C(C#N)c1nc(C(C)C)cs1 ZINC000747199124 574187034 /nfs/dbraw/zinc/18/70/34/574187034.db2.gz PJFJXOMUGCUETG-GXSJLCMTSA-N 0 1 266.366 2.868 20 30 CFEDMN CC(=O)CCCC(=O)[C@@H](C#N)c1nc2cccc(C)c2[nH]1 ZINC000755786178 574187671 /nfs/dbraw/zinc/18/76/71/574187671.db2.gz NJARLVDUGXWZPP-GFCCVEGCSA-N 0 1 283.331 2.807 20 30 CFEDMN CCOc1cc(C=NNc2cc(C)ccn2)ccc1O ZINC000755900820 574195343 /nfs/dbraw/zinc/19/53/43/574195343.db2.gz PHAWNAAIQKZDQI-UHFFFAOYSA-N 0 1 271.320 2.940 20 30 CFEDMN Cc1ccnc(NN=Cc2cnc3ccccc3n2)c1 ZINC000755901939 574195586 /nfs/dbraw/zinc/19/55/86/574195586.db2.gz IYYRDOWWFGWPFH-UHFFFAOYSA-N 0 1 263.304 2.779 20 30 CFEDMN Cc1ccnc(NN=Cc2cccc3c2OCCO3)c1 ZINC000755904557 574196082 /nfs/dbraw/zinc/19/60/82/574196082.db2.gz FAVAEDSQPUDRNJ-UHFFFAOYSA-N 0 1 269.304 2.607 20 30 CFEDMN C=CC1CCN(CN2CC3(CCCC3)CC2=O)CC1 ZINC000747456431 574197086 /nfs/dbraw/zinc/19/70/86/574197086.db2.gz JBRADMGZXQUJMX-UHFFFAOYSA-N 0 1 262.397 2.635 20 30 CFEDMN N#CC(C(=O)Nc1ccccc1)C(=O)[C@@H]1CC12CCCC2 ZINC000747477510 574197288 /nfs/dbraw/zinc/19/72/88/574197288.db2.gz AYHXWMVBCRTOHL-KGLIPLIRSA-N 0 1 282.343 2.914 20 30 CFEDMN N#Cc1ccc([C@H]([NH2+]Cc2cccs2)C(=O)[O-])cc1 ZINC000739105588 574198644 /nfs/dbraw/zinc/19/86/44/574198644.db2.gz ICRPIWFVHVINLU-ZDUSSCGKSA-N 0 1 272.329 2.535 20 30 CFEDMN N#Cc1cccc(C[N@H+](CC(=O)[O-])C2CCCCC2)c1 ZINC000739132319 574199466 /nfs/dbraw/zinc/19/94/66/574199466.db2.gz JMWIKWXUFVQOEH-UHFFFAOYSA-N 0 1 272.348 2.778 20 30 CFEDMN CCC[N@@H+](Cc1ccc(C#N)cc1)[C@H]1CCN(C(=O)[O-])C1 ZINC000739358708 574209831 /nfs/dbraw/zinc/20/98/31/574209831.db2.gz FTJQZKFHYAFAJK-HNNXBMFYSA-N 0 1 287.363 2.523 20 30 CFEDMN CC(=NN=c1cc[nH]c(N(C)C)n1)c1cccc(C)c1C ZINC000739411800 574212377 /nfs/dbraw/zinc/21/23/77/574212377.db2.gz PSDYVRWPCZCPKY-UHFFFAOYSA-N 0 1 283.379 2.996 20 30 CFEDMN CC(C)CN(Cc1ccc(C#N)cc1)CN1C[C@@H](C)CC1=O ZINC000733294895 574218126 /nfs/dbraw/zinc/21/81/26/574218126.db2.gz QTSKYKPWCTWGGM-HNNXBMFYSA-N 0 1 299.418 2.842 20 30 CFEDMN COC[C@@H](C)CC(=O)[C@@H](C#N)c1nc2cccc(C)c2[nH]1 ZINC000756289809 574222001 /nfs/dbraw/zinc/22/20/01/574222001.db2.gz KEJANSZLYGIRIH-CMPLNLGQSA-N 0 1 285.347 2.720 20 30 CFEDMN C=CCOc1ccccc1CNC[C@@H](OC)C(F)(F)F ZINC000733328982 574222081 /nfs/dbraw/zinc/22/20/81/574222081.db2.gz JHAXHZAMPJCLDU-CYBMUJFWSA-N 0 1 289.297 2.918 20 30 CFEDMN COc1cc(CC(=O)Nc2cc(C#N)ccc2O)ccc1C ZINC000748005326 574224548 /nfs/dbraw/zinc/22/45/48/574224548.db2.gz AWEGIZFHYVRLRN-UHFFFAOYSA-N 0 1 296.326 2.762 20 30 CFEDMN C#CCN1CCC[C@@H]1COC(=O)[C@H](C)c1ccc(CC)cc1 ZINC000729812044 574233339 /nfs/dbraw/zinc/23/33/39/574233339.db2.gz JXCNZMBALPHTBJ-CRAIPNDOSA-N 0 1 299.414 2.993 20 30 CFEDMN C#CCN1CCC[C@@H]1COC(=O)c1cc(C)cc(C)c1 ZINC000729810108 574233367 /nfs/dbraw/zinc/23/33/67/574233367.db2.gz UJTSNUSJQNXMGK-MRXNPFEDSA-N 0 1 271.360 2.558 20 30 CFEDMN CC(=NNc1cc(C)nc(C)n1)c1ccc(O)cc1F ZINC000729932694 574238332 /nfs/dbraw/zinc/23/83/32/574238332.db2.gz IXVVRDODZVQEIM-UHFFFAOYSA-N 0 1 274.299 2.774 20 30 CFEDMN COCC(C)(C)C(=O)C(C#N)c1nc2ccccc2o1 ZINC000756520574 574243241 /nfs/dbraw/zinc/24/32/41/574243241.db2.gz SODPFRVVGDZETQ-JTQLQIEISA-N 0 1 272.304 2.677 20 30 CFEDMN CC(=[NH+][N-]c1cccnn1)c1ccc(N2CCCC2)cc1O ZINC000748250801 574243743 /nfs/dbraw/zinc/24/37/43/574243743.db2.gz FITYTFXITXORDK-UHFFFAOYSA-N 0 1 297.362 2.619 20 30 CFEDMN C#CCN1CCC[C@@H]1COC(=O)c1ccc(C)cc1C ZINC000756542196 574245158 /nfs/dbraw/zinc/24/51/58/574245158.db2.gz GFNKWEBPNKQVBV-OAHLLOKOSA-N 0 1 271.360 2.558 20 30 CFEDMN C#CCN1CCC[C@@H]1COC(=O)c1coc2ccccc12 ZINC000756547195 574245589 /nfs/dbraw/zinc/24/55/89/574245589.db2.gz JTZNUSVNPWFZOY-CYBMUJFWSA-N 0 1 283.327 2.687 20 30 CFEDMN C#CCN1CCC[C@@H]1COC(=O)c1ccccc1CC ZINC000756556185 574246981 /nfs/dbraw/zinc/24/69/81/574246981.db2.gz SKSROGLJEQBRKS-OAHLLOKOSA-N 0 1 271.360 2.503 20 30 CFEDMN N#Cc1ccc(CN=Nc2cnnc3ccccc23)cc1 ZINC000733750417 574255313 /nfs/dbraw/zinc/25/53/13/574255313.db2.gz YLPXAXHLUYVWAH-UHFFFAOYSA-N 0 1 273.299 2.947 20 30 CFEDMN CCCn1cccc1CN=Nc1ccncc1Cl ZINC000756842048 574267215 /nfs/dbraw/zinc/26/72/15/574267215.db2.gz JMUZYPYDKIOLQT-UHFFFAOYSA-N 0 1 262.744 2.814 20 30 CFEDMN CC(=O)Nc1ccc(CN=Nc2ccncc2Cl)cc1 ZINC000756842970 574267425 /nfs/dbraw/zinc/26/74/25/574267425.db2.gz ZUYHDHFMZWIHTQ-UHFFFAOYSA-N 0 1 288.738 2.561 20 30 CFEDMN CCCCCCCN1CCN(C(=O)C(C)C)CC1 ZINC000740873807 574271694 /nfs/dbraw/zinc/27/16/94/574271694.db2.gz FSIYOMSZQAOFCE-UHFFFAOYSA-N 0 1 254.418 2.757 20 30 CFEDMN COC(=O)c1ccc(N=NCc2ccc(C)cn2)c(OC)c1 ZINC000756902040 574271954 /nfs/dbraw/zinc/27/19/54/574271954.db2.gz BEDDHRYSJSJPMX-UHFFFAOYSA-N 0 1 299.330 2.631 20 30 CFEDMN C#CCN(Cc1ccc(F)cc1C(=O)OC)C1CCCC1 ZINC000756912291 574272608 /nfs/dbraw/zinc/27/26/08/574272608.db2.gz OZYYZOSXBKXAIJ-UHFFFAOYSA-N 0 1 289.350 2.990 20 30 CFEDMN Cc1cc(C#N)ccc1COC(=O)[C@@H]1CCCc2[nH]ncc21 ZINC000748922781 574273973 /nfs/dbraw/zinc/27/39/73/574273973.db2.gz VIZVGVIHMQLMCE-CQSZACIVSA-N 0 1 295.342 2.753 20 30 CFEDMN CCc1cc(CNc2ncc(C#N)cc2Cl)n[nH]1 ZINC000734142048 574274330 /nfs/dbraw/zinc/27/43/30/574274330.db2.gz KYABQVJYWPIJLV-UHFFFAOYSA-N 0 1 261.716 2.504 20 30 CFEDMN C[C@H](C(=O)OCc1cccc(C#N)c1)N1CCCCCC1 ZINC000741029088 574278887 /nfs/dbraw/zinc/27/88/87/574278887.db2.gz MGEBJIRNFZTHRL-CQSZACIVSA-N 0 1 286.375 2.866 20 30 CFEDMN CC(=Nn1c(=S)[nH]nc1C(F)(F)F)c1ccsc1 ZINC000749099610 574279897 /nfs/dbraw/zinc/27/98/97/574279897.db2.gz QRRWJWWUQNELQB-UHFFFAOYSA-N 0 1 292.311 2.919 20 30 CFEDMN C[C@@H]1C[N@@H+](Cc2ccccc2)CCC1N=Nc1cnccn1 ZINC000734365070 574283762 /nfs/dbraw/zinc/28/37/62/574283762.db2.gz AUJZJVUIMBGWLC-CQSZACIVSA-N 0 1 295.390 2.787 20 30 CFEDMN Cc1nc(C#N)c(N=NCc2cnc(-c3ccccc3)[nH]2)o1 ZINC000741461601 574291389 /nfs/dbraw/zinc/29/13/89/574291389.db2.gz MDTVJYSXXJNPIH-UHFFFAOYSA-N 0 1 292.302 2.691 20 30 CFEDMN C[C@](C#N)(NC(=O)C(F)(F)C(F)F)C1CCCCC1 ZINC000749390371 574292627 /nfs/dbraw/zinc/29/26/27/574292627.db2.gz AHXPCOTUPGWSCS-LLVKDONJSA-N 0 1 280.265 2.866 20 30 CFEDMN CC(C)CON=Cc1ccccc1N1CCO[C@@H](C)C1 ZINC000749636836 574303535 /nfs/dbraw/zinc/30/35/35/574303535.db2.gz SWARUESNXLEFRJ-AWEZNQCLSA-N 0 1 276.380 2.918 20 30 CFEDMN Cc1ncc2c(n1)CCC[C@@H]2NCc1cccc(C#N)c1 ZINC000734851689 574304549 /nfs/dbraw/zinc/30/45/49/574304549.db2.gz GJIIYZYJNXYEMZ-INIZCTEOSA-N 0 1 278.359 2.824 20 30 CFEDMN C#CCN(CC#CC)CCCOc1ccccc1C ZINC000743852091 574310644 /nfs/dbraw/zinc/31/06/44/574310644.db2.gz ACRHLIKSVJBERL-UHFFFAOYSA-N 0 1 255.361 2.722 20 30 CFEDMN Cc1cc(C(C#N)C(=O)C[C@H](C)n2cccc2)nc(C)n1 ZINC000735208590 574316546 /nfs/dbraw/zinc/31/65/46/574316546.db2.gz MJDSFOAOOWHUGS-JSGCOSHPSA-N 0 1 282.347 2.723 20 30 CFEDMN N#CCCCOC(=O)[C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000735938688 574342540 /nfs/dbraw/zinc/34/25/40/574342540.db2.gz NBTUPAHYFDJFSI-MRXNPFEDSA-N 0 1 286.375 2.746 20 30 CFEDMN CCN(CC)c1ccc(CN=Nc2cccnn2)cc1 ZINC000735974613 574345728 /nfs/dbraw/zinc/34/57/28/574345728.db2.gz HPCAEPMVHVFMSZ-UHFFFAOYSA-N 0 1 269.352 2.769 20 30 CFEDMN C=CC[N@@H+](Cc1ccc(F)cc1C(=O)[O-])C(C)C ZINC000736108784 574350406 /nfs/dbraw/zinc/35/04/06/574350406.db2.gz SCIFPFVOEUHMCR-UHFFFAOYSA-N 0 1 251.301 2.920 20 30 CFEDMN Cc1ccnc2[nH]c([C@H](C#N)C(=O)C=Cc3ccco3)nc21 ZINC000750724614 574352734 /nfs/dbraw/zinc/35/27/34/574352734.db2.gz OCILSZQLOSJDBG-QMAVJUDZSA-N 0 1 292.298 2.749 20 30 CFEDMN COc1cccc(NN=Cc2cc(-c3cccnc3)[nH]n2)c1 ZINC000743432078 574364047 /nfs/dbraw/zinc/36/40/47/574364047.db2.gz BFRVOOUFSRVBJW-UHFFFAOYSA-N 0 1 293.330 2.926 20 30 CFEDMN N#Cc1ccc2c(c1)CCCC2=NNCCN1CCCCC1 ZINC000743439014 574364483 /nfs/dbraw/zinc/36/44/83/574364483.db2.gz QUQRXECLRHCKKY-UHFFFAOYSA-N 0 1 296.418 2.674 20 30 CFEDMN COCc1cccc(C=NNc2ccc(C)cn2)c1 ZINC000743438037 574364613 /nfs/dbraw/zinc/36/46/13/574364613.db2.gz IOXWFYLPMGHUJF-UHFFFAOYSA-N 0 1 255.321 2.982 20 30 CFEDMN CCC(CC)NN=Cc1cc(-c2cccnc2)[nH]n1 ZINC000743440497 574364863 /nfs/dbraw/zinc/36/48/63/574364863.db2.gz QXEVFLZLYSYYIX-UHFFFAOYSA-N 0 1 257.341 2.584 20 30 CFEDMN CNC(=O)c1ccc(CN=Nc2cccc(F)c2F)cc1 ZINC000743443811 574364908 /nfs/dbraw/zinc/36/49/08/574364908.db2.gz RMGBDSVINUPQOM-UHFFFAOYSA-N 0 1 289.285 2.770 20 30 CFEDMN N#Cc1ccc(O)c(NC(=O)[C@H]2[C@@H]3CCCC[C@@H]32)c1 ZINC000751070698 574369051 /nfs/dbraw/zinc/36/90/51/574369051.db2.gz NWXLAOSNERNHSY-YABSGUDNSA-N 0 1 256.305 2.639 20 30 CFEDMN CN(C)c1nccc(N=NCc2ccccc2C2CC2)n1 ZINC000751133120 574369914 /nfs/dbraw/zinc/36/99/14/574369914.db2.gz LSOHFGGQAYICHE-UHFFFAOYSA-N 0 1 281.363 2.866 20 30 CFEDMN Cc1csc(C(C#N)=C([O-])c2[nH+]c(C)n3ccccc23)n1 ZINC000744010771 574375854 /nfs/dbraw/zinc/37/58/54/574375854.db2.gz OTJGGLPIBHBDQU-NSHDSACASA-N 0 1 296.355 2.898 20 30 CFEDMN COc1cc(C)c(C=NNc2ccc(F)cn2)cc1OC ZINC000751528908 574378378 /nfs/dbraw/zinc/37/83/78/574378378.db2.gz MSWZDXFOQKDWPL-UHFFFAOYSA-N 0 1 289.310 2.992 20 30 CFEDMN COC[C@H]1CCCN1Cc1cc(Cl)ccc1OCC#N ZINC000752087518 574387830 /nfs/dbraw/zinc/38/78/30/574387830.db2.gz DMYICSNZOBGZGB-CQSZACIVSA-N 0 1 294.782 2.853 20 30 CFEDMN CCC(N)=NOCc1ccc(C#N)cc1OC(F)F ZINC000753118432 574398816 /nfs/dbraw/zinc/39/88/16/574398816.db2.gz PEMBOWCZDLBWJC-UHFFFAOYSA-N 0 1 269.251 2.568 20 30 CFEDMN CC(=NN=Cc1cccc(Cl)c1O)c1cnccn1 ZINC000753166251 574399665 /nfs/dbraw/zinc/39/96/65/574399665.db2.gz DCNNAOJVLUVUPH-UHFFFAOYSA-N 0 1 274.711 2.679 20 30 CFEDMN Cn1c2ccccc2nc1C(C#N)C(=O)C1CC(F)(F)C1 ZINC000753797852 574410444 /nfs/dbraw/zinc/41/04/44/574410444.db2.gz HPSLOSNXOGFFFC-JTQLQIEISA-N 0 1 289.285 2.795 20 30 CFEDMN CC(C)(C#N)CCC[N@H+]1CCC[C@H](CC(=O)[O-])C1 ZINC000087600034 597071300 /nfs/dbraw/zinc/07/13/00/597071300.db2.gz WNBLZASLOMTMPF-GFCCVEGCSA-N 0 1 252.358 2.503 20 30 CFEDMN C=C(C)CNC(=O)c1ccc(CN2CCCCC2)o1 ZINC000935479801 649911556 /nfs/dbraw/zinc/91/15/56/649911556.db2.gz AZZIWOHCCRCOGK-UHFFFAOYSA-N 0 1 262.353 2.571 20 30 CFEDMN C=CC[N@@H+](C/C=C(/C)C(=O)[O-])Cc1ccc(OC)cc1 ZINC000825682279 601157351 /nfs/dbraw/zinc/15/73/51/601157351.db2.gz VWKNPQYJCOVEEI-LCYFTJDESA-N 0 1 275.348 2.714 20 30 CFEDMN CC(C)CC[N@@H+](C)[C@H](C(=O)[O-])c1cccc(C#N)c1 ZINC000826848936 601311299 /nfs/dbraw/zinc/31/12/99/601311299.db2.gz MWUNXKWHILQKCH-AWEZNQCLSA-N 0 1 260.337 2.662 20 30 CFEDMN CC[C@H]1C[N@H+]([C@H](C(=O)[O-])c2cccc(C#N)c2)CCS1 ZINC000829141548 601321938 /nfs/dbraw/zinc/32/19/38/601321938.db2.gz NDDZRVCAKFFAQJ-KBPBESRZSA-N 0 1 290.388 2.511 20 30 CFEDMN O=C([O-])[C@H]1CCC[N@@H+]1CC#Cc1ccc(C(F)(F)F)cc1 ZINC000833189981 601390045 /nfs/dbraw/zinc/39/00/45/601390045.db2.gz FQBVFJKFOJLCQZ-CYBMUJFWSA-N 0 1 297.276 2.606 20 30 CFEDMN O=C([O-])[C@H]1CCC[N@H+]1CC#Cc1ccc(C(F)(F)F)cc1 ZINC000833189981 601390046 /nfs/dbraw/zinc/39/00/46/601390046.db2.gz FQBVFJKFOJLCQZ-CYBMUJFWSA-N 0 1 297.276 2.606 20 30 CFEDMN C#CC[N@H+](CCOc1cccc(C(=O)[O-])c1)C1CCCC1 ZINC000825614464 601664578 /nfs/dbraw/zinc/66/45/78/601664578.db2.gz OSHIGVGKEZQBEO-UHFFFAOYSA-N 0 1 287.359 2.641 20 30 CFEDMN C[N@@H+](Cc1ccc(C(=O)[O-])s1)Cc1ccc(C#N)cc1 ZINC000830811235 601940763 /nfs/dbraw/zinc/94/07/63/601940763.db2.gz VTSMFMCXZHPPRB-UHFFFAOYSA-N 0 1 286.356 2.950 20 30 CFEDMN C#CC[N@H+](Cc1ccc(C(=O)[O-])s1)C1CCCC1 ZINC000688846276 601962847 /nfs/dbraw/zinc/96/28/47/601962847.db2.gz KIWOREXNRMCDML-UHFFFAOYSA-N 0 1 263.362 2.824 20 30 CFEDMN C[C@@H]1CCC[N@@H+](CCCC(C)(C)C#N)[C@@H]1CNC(=O)[O-] ZINC000825926064 603721545 /nfs/dbraw/zinc/72/15/45/603721545.db2.gz UMKXIFNHKYPNIS-CHWSQXEVSA-N 0 1 281.400 2.684 20 30 CFEDMN C[C@@H](NC(=O)[O-])[C@@H]1CCCC[N@H+]1CCCC(C)(C)C#N ZINC000825191715 603994044 /nfs/dbraw/zinc/99/40/44/603994044.db2.gz ALNIJGQIHINEMB-OLZOCXBDSA-N 0 1 281.400 2.827 20 30 CFEDMN CC(C)(CCC#N)C[N@@H+](CC(=O)[O-])Cc1ccccc1 ZINC000833457300 604559747 /nfs/dbraw/zinc/55/97/47/604559747.db2.gz NUTNAFDJSYUIJM-UHFFFAOYSA-N 0 1 274.364 2.903 20 30 CFEDMN C=C(C)C[N@H+](CC)Cc1cccc(C(=O)[O-])c1C#N ZINC000833369096 604601607 /nfs/dbraw/zinc/60/16/07/604601607.db2.gz FETIQKNCFIJNII-UHFFFAOYSA-N 0 1 258.321 2.654 20 30 CFEDMN C=CC[N@@H+](Cc1ccccc1)C[C@H]1CC(C(=O)[O-])=C(C)O1 ZINC000833375890 604822457 /nfs/dbraw/zinc/82/24/57/604822457.db2.gz ILCAKTRITNGGBA-OAHLLOKOSA-N 0 1 287.359 2.822 20 30 CFEDMN C=C(C)C[N@H+](CC)[C@@H](C(=O)[O-])c1cccc(C#N)c1 ZINC000833369038 605041921 /nfs/dbraw/zinc/04/19/21/605041921.db2.gz AAWHCUZVAOWBEP-CQSZACIVSA-N 0 1 258.321 2.582 20 30 CFEDMN CC(C)N(Cc1cn([C@@H]2CC[C@@H](C#N)C2)nn1)C(C)C ZINC000900486240 620681771 /nfs/dbraw/zinc/68/17/71/620681771.db2.gz GQXXZSHYECKUJU-UKRRQHHQSA-N 0 1 275.400 2.762 20 30 CFEDMN C#CCCC[N@@H+](Cc1ccccc1)C[C@@H](C)C(=O)[O-] ZINC000833362545 605203127 /nfs/dbraw/zinc/20/31/27/605203127.db2.gz XJNZGZLFLIJTHU-CQSZACIVSA-N 0 1 259.349 2.623 20 30 CFEDMN C=CCCC[N@H+](C)Cc1cc(C(=O)[O-])cc(C(=O)OC)c1 ZINC000833373985 605205067 /nfs/dbraw/zinc/20/50/67/605205067.db2.gz MGQJWKGCICIGMT-UHFFFAOYSA-N 0 1 291.347 2.569 20 30 CFEDMN CC(C)N(Cc1cn(Cc2ccc(C#N)cc2)nn1)C(C)C ZINC000900487662 620682195 /nfs/dbraw/zinc/68/21/95/620682195.db2.gz QCSZKPUIHQGJAG-UHFFFAOYSA-N 0 1 297.406 2.817 20 30 CFEDMN CC(C)C[N@H+](CCC#N)Cc1ccc(OCC(=O)[O-])cc1 ZINC000833487787 605293902 /nfs/dbraw/zinc/29/39/02/605293902.db2.gz IKNKJXCCIZVFNE-UHFFFAOYSA-N 0 1 290.363 2.522 20 30 CFEDMN CC(C)C[N@@H+](CCC#N)Cc1ccc(OCC(=O)[O-])cc1 ZINC000833487787 605293904 /nfs/dbraw/zinc/29/39/04/605293904.db2.gz IKNKJXCCIZVFNE-UHFFFAOYSA-N 0 1 290.363 2.522 20 30 CFEDMN N#CCCCCC(=O)OC[C@@H]1CCN1Cc1ccccc1 ZINC000851470307 634381793 /nfs/dbraw/zinc/38/17/93/634381793.db2.gz OJJUXIPJKZUTFC-INIZCTEOSA-N 0 1 286.375 2.888 20 30 CFEDMN C=CCCC[N@H+](CCC)C1CCN(C(=O)[O-])CC1 ZINC000823496334 605468908 /nfs/dbraw/zinc/46/89/08/605468908.db2.gz ICXHVVZBVHJIPK-UHFFFAOYSA-N 0 1 254.374 2.807 20 30 CFEDMN CN(CC(=O)N[C@H](C#N)c1ccc(Cl)cc1)C1CCC1 ZINC000900609088 620694412 /nfs/dbraw/zinc/69/44/12/620694412.db2.gz VCWXGUIWUNPJMQ-CQSZACIVSA-N 0 1 291.782 2.505 20 30 CFEDMN C=CCCCCC[N@H+](C)Cc1ccc(-c2nnn[n-]2)o1 ZINC000823894024 608707593 /nfs/dbraw/zinc/70/75/93/608707593.db2.gz FFYCDQKDFLMNBK-UHFFFAOYSA-N 0 1 275.356 2.638 20 30 CFEDMN C=CCCCCC[N@@H+](C)Cc1ccc(-c2nn[n-]n2)o1 ZINC000823894024 608707602 /nfs/dbraw/zinc/70/76/02/608707602.db2.gz FFYCDQKDFLMNBK-UHFFFAOYSA-N 0 1 275.356 2.638 20 30 CFEDMN C=CCCCCC[N@H+](C)Cc1ccc(-c2nn[n-]n2)o1 ZINC000823894024 608707607 /nfs/dbraw/zinc/70/76/07/608707607.db2.gz FFYCDQKDFLMNBK-UHFFFAOYSA-N 0 1 275.356 2.638 20 30 CFEDMN C#CCN(C)[C@@H]1CCN(C(=O)[C@]2(C)CCC(C)=C(C)C2)C1 ZINC000980516024 613084481 /nfs/dbraw/zinc/08/44/81/613084481.db2.gz QPMJCRRPAZJYPJ-SJLPKXTDSA-N 0 1 288.435 2.679 20 30 CFEDMN C#CCN(C)[C@@H]1CCN(C(=O)c2ccccc2C(C)(C)C)C1 ZINC000971753040 613086997 /nfs/dbraw/zinc/08/69/97/613086997.db2.gz LRWSZXSVMXYBAT-OAHLLOKOSA-N 0 1 298.430 2.764 20 30 CFEDMN C#CCN(C)[C@H]1CCN(C(=O)[C@@H](c2ccccc2)C(C)C)C1 ZINC000972434637 613091291 /nfs/dbraw/zinc/09/12/91/613091291.db2.gz YLLYZJAUVCBYPP-ZWKOTPCHSA-N 0 1 298.430 2.592 20 30 CFEDMN C#CCN(C)[C@H]1CCN(C(=O)c2ccc(CC(C)C)cc2)C1 ZINC000980361369 613094927 /nfs/dbraw/zinc/09/49/27/613094927.db2.gz CZPMDSRXQHXRPH-SFHVURJKSA-N 0 1 298.430 2.665 20 30 CFEDMN C#Cc1ccc(C(=O)N(CC)C2CN(C[C@H](C)CC)C2)cc1 ZINC000951117484 613166829 /nfs/dbraw/zinc/16/68/29/613166829.db2.gz UMQZOFJEMXVGOV-OAHLLOKOSA-N 0 1 298.430 2.860 20 30 CFEDMN C=C(C)CCN1CC(N(CC)C(=O)c2cc(Cl)c[nH]2)C1 ZINC000949661952 613246213 /nfs/dbraw/zinc/24/62/13/613246213.db2.gz KZVMEJFOZUBYJS-UHFFFAOYSA-N 0 1 295.814 2.781 20 30 CFEDMN C#CCN1CC[C@H](NC(=O)CC2CCCCC2)C(C)(C)C1 ZINC000940553846 613258626 /nfs/dbraw/zinc/25/86/26/613258626.db2.gz LFFQDPHDWGJXIH-INIZCTEOSA-N 0 1 290.451 2.807 20 30 CFEDMN C=C(C)CCN1CCN(C(=O)[C@@H]2CC[C@H]3C[C@H]3C2)CC1 ZINC000948983853 613258982 /nfs/dbraw/zinc/25/89/82/613258982.db2.gz MYZSNNBYONLNSU-XHSDSOJGSA-N 0 1 276.424 2.533 20 30 CFEDMN C=C(C)CCN1CCN(C(=O)c2cc[nH]c2CCC)CC1 ZINC000949778214 613262035 /nfs/dbraw/zinc/26/20/35/613262035.db2.gz FBFIYBBCKGUXJV-UHFFFAOYSA-N 0 1 289.423 2.691 20 30 CFEDMN C#CCN1CC[C@H](NC(=O)c2csc(C)c2)C(C)(C)C1 ZINC000941099032 613276321 /nfs/dbraw/zinc/27/63/21/613276321.db2.gz JQMRVMGJUIFOKY-AWEZNQCLSA-N 0 1 290.432 2.520 20 30 CFEDMN C#CCN1CC[C@H](NC(=O)c2occc2C(C)C)C[C@H]1C ZINC000947653576 613278503 /nfs/dbraw/zinc/27/85/03/613278503.db2.gz POFGXSAUSRQYCU-KGLIPLIRSA-N 0 1 288.391 2.619 20 30 CFEDMN C#CCN1C[C@H](NC(=O)CC2CCCCCC2)C(C)(C)C1 ZINC000975090325 613297382 /nfs/dbraw/zinc/29/73/82/613297382.db2.gz FCFOXPVNXNABDB-INIZCTEOSA-N 0 1 290.451 2.807 20 30 CFEDMN C=C(C)CN1CCCN(C(=O)C2CCC(=C)CC2)CC1 ZINC000981873511 613307608 /nfs/dbraw/zinc/30/76/08/613307608.db2.gz NYUUEFLSHNKADO-UHFFFAOYSA-N 0 1 276.424 2.843 20 30 CFEDMN C=C(C)CN1CCCN(C(=O)C(C)(C)C(=C)Cl)CC1 ZINC000981240394 613307689 /nfs/dbraw/zinc/30/76/89/613307689.db2.gz GQLCXLCBSZUEPD-UHFFFAOYSA-N 0 1 284.831 2.876 20 30 CFEDMN C=C(C)CN1CCCN(C(=O)[C@@H]2CC[C@H](C)C2)CC1 ZINC000982072329 613309396 /nfs/dbraw/zinc/30/93/96/613309396.db2.gz UAPFQXYSYWTTDT-LSDHHAIUSA-N 0 1 264.413 2.533 20 30 CFEDMN C=C(C)CN1CCCN(C(=O)[C@@H]2CC[C@H]3C[C@H]3C2)CC1 ZINC000981500555 613309936 /nfs/dbraw/zinc/30/99/36/613309936.db2.gz WPSLRVMKPQGZCR-XHSDSOJGSA-N 0 1 276.424 2.533 20 30 CFEDMN C=C(C)CN1CCCN(C(=O)[C@H]2CCCC[C@H]2C)CC1 ZINC000981844936 613310567 /nfs/dbraw/zinc/31/05/67/613310567.db2.gz HURJNTCFGDMZHY-CVEARBPZSA-N 0 1 278.440 2.923 20 30 CFEDMN C=C(C)CN1CCCN(C(=O)c2ccn3ccccc23)CC1 ZINC000981596980 613312643 /nfs/dbraw/zinc/31/26/43/613312643.db2.gz NDKGJNAGRIMXED-UHFFFAOYSA-N 0 1 297.402 2.663 20 30 CFEDMN C=C(C)CN1CCCN(C(=O)c2cnoc2C(C)C)CC1 ZINC000983512530 613313083 /nfs/dbraw/zinc/31/30/83/613313083.db2.gz CBDBKZWQFHHXIW-UHFFFAOYSA-N 0 1 291.395 2.522 20 30 CFEDMN C=C(C)CN1CC[C@@H](C)[C@@H](NC(=O)c2cocc2C)C1 ZINC000967707785 613324621 /nfs/dbraw/zinc/32/46/21/613324621.db2.gz LXLXIGBKQGHDLM-DOMZBBRYSA-N 0 1 276.380 2.604 20 30 CFEDMN C=C(C)CN1CC[C@H](C)[C@H](NC(=O)c2ccc(F)s2)C1 ZINC000968695379 613334142 /nfs/dbraw/zinc/33/41/42/613334142.db2.gz OEMULHISSYSULF-NWDGAFQWSA-N 0 1 296.411 2.904 20 30 CFEDMN C=C(Cl)CN1CCC[C@H](N(C)C(=O)[C@@H]2C[C@H]2C)CC1 ZINC000948680449 613374306 /nfs/dbraw/zinc/37/43/06/613374306.db2.gz IQSJXGLJFZSZIL-KWCYVHTRSA-N 0 1 284.831 2.708 20 30 CFEDMN C=C(Cl)CN[C@@H]1CCN(C(=O)C2=CCCCCC2)C1 ZINC000968494888 613384303 /nfs/dbraw/zinc/38/43/03/613384303.db2.gz PNKGQSYBLIVCLV-CQSZACIVSA-N 0 1 282.815 2.820 20 30 CFEDMN C=C(Cl)CN[C@@H]1CCN(C(=O)C23CCC(CC2)CC3)C1 ZINC000970768766 613384385 /nfs/dbraw/zinc/38/43/85/613384385.db2.gz ANRJSRUHZXCCHD-NPCAHTBFSA-N 0 1 296.842 2.900 20 30 CFEDMN C=C(Cl)CN[C@@H]1CCN(C(=O)[C@H](C)c2ccc(C)o2)C1 ZINC000970203950 613385252 /nfs/dbraw/zinc/38/52/52/613385252.db2.gz LAFYSQGHEABXOE-CHWSQXEVSA-N 0 1 296.798 2.635 20 30 CFEDMN C=C(Cl)CN[C@@H]1CCN(C(=O)c2cc(C)cc(F)c2)C1 ZINC000970049964 613385590 /nfs/dbraw/zinc/38/55/90/613385590.db2.gz GMGBGJSISKOEBM-CQSZACIVSA-N 0 1 296.773 2.691 20 30 CFEDMN C=C(Cl)CN[C@@H]1CCN(C(=O)c2cc(F)ccc2C)C1 ZINC000969502822 613385610 /nfs/dbraw/zinc/38/56/10/613385610.db2.gz MCWKBOYNYQPPSY-CYBMUJFWSA-N 0 1 296.773 2.691 20 30 CFEDMN C=C(Cl)CN[C@@H]1CCN(C(=O)c2csc(C)c2)C1 ZINC000970261698 613386078 /nfs/dbraw/zinc/38/60/78/613386078.db2.gz MLHIHRGKOSDBHW-GFCCVEGCSA-N 0 1 284.812 2.613 20 30 CFEDMN C=C1CC(C)(C(=O)N2CCN(CCC(C)(C)C)CC2)C1 ZINC000950382775 613393538 /nfs/dbraw/zinc/39/35/38/613393538.db2.gz LBIUKNRHQFYVNB-UHFFFAOYSA-N 0 1 278.440 2.923 20 30 CFEDMN C=C1CC(C)(C(=O)N[C@@H]2CCN(CCF)CC2(C)C)C1 ZINC000941017866 613397291 /nfs/dbraw/zinc/39/72/91/613397291.db2.gz RDJRGSPBPAYPOL-CYBMUJFWSA-N 0 1 282.403 2.529 20 30 CFEDMN C=C1CCC(C(=O)N[C@@H]2CCN(CCF)C[C@H]2C)CC1 ZINC000942600172 613410713 /nfs/dbraw/zinc/41/07/13/613410713.db2.gz LWNMNSPOHLXYOR-UKRRQHHQSA-N 0 1 282.403 2.529 20 30 CFEDMN C=C1CCC(C(=O)N[C@H]2CN(CC#CC)CC2(C)C)CC1 ZINC000975009318 613412527 /nfs/dbraw/zinc/41/25/27/613412527.db2.gz HNDHXMAYMZPJIK-INIZCTEOSA-N 0 1 288.435 2.583 20 30 CFEDMN C=C[C@@H](C(=O)N1CCN(CC(C)C)CC1)c1ccccc1 ZINC000957747397 613440734 /nfs/dbraw/zinc/44/07/34/613440734.db2.gz RSBFSMMJWUNOGI-QGZVFWFLSA-N 0 1 286.419 2.756 20 30 CFEDMN C=CCCN1CCN(C(=O)C2CC(C(C)(C)C)C2)CC1 ZINC000957861380 613501971 /nfs/dbraw/zinc/50/19/71/613501971.db2.gz LVMIHJMWEIIECG-UHFFFAOYSA-N 0 1 278.440 2.779 20 30 CFEDMN C=CCCN1CCN(C(=O)C2CCC(C3CC3)CC2)CC1 ZINC000957506161 613502074 /nfs/dbraw/zinc/50/20/74/613502074.db2.gz KOUMYDZQAMPHNQ-UHFFFAOYSA-N 0 1 290.451 2.923 20 30 CFEDMN C=CCCN1CCN(C(=O)Cc2ccc(CC)cc2)CC1 ZINC000950936085 613504498 /nfs/dbraw/zinc/50/44/98/613504498.db2.gz VEGUWKWVTZKRIV-UHFFFAOYSA-N 0 1 286.419 2.512 20 30 CFEDMN C=CCCN1CCN(C(=O)Cc2ccc(C)c(C)c2)CC1 ZINC000957570272 613504719 /nfs/dbraw/zinc/50/47/19/613504719.db2.gz WNERAVIDVAMDBI-UHFFFAOYSA-N 0 1 286.419 2.566 20 30 CFEDMN C=CCCN1CCN(C(=O)[C@@H]2CCCC(C)(C)C2)CC1 ZINC000957829352 613505785 /nfs/dbraw/zinc/50/57/85/613505785.db2.gz FESCMUCQAJKAPF-OAHLLOKOSA-N 0 1 278.440 2.923 20 30 CFEDMN C=CCCN1CCN(C(=O)[C@@H]2CCCCC2(C)C)CC1 ZINC000957840660 613505835 /nfs/dbraw/zinc/50/58/35/613505835.db2.gz WVXAGBXUIBTCPX-HNNXBMFYSA-N 0 1 278.440 2.923 20 30 CFEDMN C=CCCN1CCN(C(=O)[C@@H]2CCCC[C@@H]2CC)CC1 ZINC000956973816 613506195 /nfs/dbraw/zinc/50/61/95/613506195.db2.gz IANGQEMEOCNXNR-JKSUJKDBSA-N 0 1 278.440 2.923 20 30 CFEDMN C=CCCN1CCN(C(=O)c2ccc3cc[nH]c3c2)CC1 ZINC000950814624 613511002 /nfs/dbraw/zinc/51/10/02/613511002.db2.gz RESUNBJNOUZHHN-UHFFFAOYSA-N 0 1 283.375 2.502 20 30 CFEDMN C=CCCN1CCN(C(=O)c2cccc3cccnc32)CC1 ZINC000949134290 613511036 /nfs/dbraw/zinc/51/10/36/613511036.db2.gz JWMHAMBUTGLUKV-UHFFFAOYSA-N 0 1 295.386 2.569 20 30 CFEDMN CC#CCN1CC([C@H](C)NC(=O)C2CCC(C)(C)CC2)C1 ZINC000970947542 613535514 /nfs/dbraw/zinc/53/55/14/613535514.db2.gz LXCWZVZIVGIYDG-AWEZNQCLSA-N 0 1 290.451 2.663 20 30 CFEDMN CC#CCN1CC([C@H](C)NC(=O)[C@@H]2CCC(C)=C(C)C2)C1 ZINC000969735838 613536482 /nfs/dbraw/zinc/53/64/82/613536482.db2.gz WSXMVUUBUDQXNS-JKSUJKDBSA-N 0 1 288.435 2.583 20 30 CFEDMN CC#CCN1CC[C@@H](C)[C@@H](NC(=O)c2ccccc2CC)C1 ZINC000968105274 613573538 /nfs/dbraw/zinc/57/35/38/613573538.db2.gz JDBYMMZQANOOQZ-QAPCUYQASA-N 0 1 298.430 2.713 20 30 CFEDMN CC#CCN1CC[C@@H](C)[C@H](NC(=O)c2ccc(C)cc2C)C1 ZINC000968601326 613575688 /nfs/dbraw/zinc/57/56/88/613575688.db2.gz BKKPAESCTONSES-CRAIPNDOSA-N 0 1 298.430 2.767 20 30 CFEDMN CC#CCN1CC[C@H](C)[C@H](NC(=O)c2ccc(C)c(C)c2)C1 ZINC000968607685 613594022 /nfs/dbraw/zinc/59/40/22/613594022.db2.gz ZCMGZDAYODUZTR-MAUKXSAKSA-N 0 1 298.430 2.767 20 30 CFEDMN CC#CCN1C[C@H](NC(=O)c2ccc(C)c(C)c2)C(C)(C)C1 ZINC000977566591 613623141 /nfs/dbraw/zinc/62/31/41/613623141.db2.gz XTXAJXVUVIMBFQ-KRWDZBQOSA-N 0 1 298.430 2.767 20 30 CFEDMN C=CCN1CC([C@@H](C)NC(=O)C23CC(C(C)(C)C)(C2)C3)C1 ZINC000970947974 613661518 /nfs/dbraw/zinc/66/15/18/613661518.db2.gz ODMOGJAGISAXON-NLNFPOJYSA-N 0 1 290.451 2.825 20 30 CFEDMN C=CCN1CC([C@@H](C)NC(=O)[C@H]2CCC=CCCC2)C1 ZINC000969946129 613662427 /nfs/dbraw/zinc/66/24/27/613662427.db2.gz AULZSOHETDAVJK-CABCVRRESA-N 0 1 276.424 2.745 20 30 CFEDMN C=CCN1CC([C@@H](C)NC(=O)c2ccc(C3CC3)nc2C)C1 ZINC000970444393 613665118 /nfs/dbraw/zinc/66/51/18/613665118.db2.gz GDMJGOIWVLZWRL-GFCCVEGCSA-N 0 1 299.418 2.504 20 30 CFEDMN C=CCN1CC([C@@H](C)NC(=O)c2ccc(C=C)cc2)C1 ZINC000970470052 613665152 /nfs/dbraw/zinc/66/51/52/613665152.db2.gz HKHCBPDPGVQCCN-CYBMUJFWSA-N 0 1 270.376 2.566 20 30 CFEDMN C=CCN1CC([C@@H](C)NC(=O)c2ccc(C)c3c2CCC3)C1 ZINC000970940277 613665567 /nfs/dbraw/zinc/66/55/67/613665567.db2.gz BBCNWHXOWDLSGS-CQSZACIVSA-N 0 1 298.430 2.720 20 30 CFEDMN C=CCN1CC([C@H](C)NC(=O)c2ccc(C(F)F)cc2)C1 ZINC000970593420 613670962 /nfs/dbraw/zinc/67/09/62/613670962.db2.gz LOCXIFKNLBRYBM-NSHDSACASA-N 0 1 294.345 2.860 20 30 CFEDMN C=CCN1CC([C@H](C)NC(=O)c2cc(F)cc(Cl)c2)C1 ZINC000970485979 613671248 /nfs/dbraw/zinc/67/12/48/613671248.db2.gz JETUNKODXAIIAW-JTQLQIEISA-N 0 1 296.773 2.715 20 30 CFEDMN C=CCN1CC([C@H](C)NC(=O)c2ccccc2Cl)C1 ZINC000970770841 613671895 /nfs/dbraw/zinc/67/18/95/613671895.db2.gz FSHSPGVCJGUSPO-NSHDSACASA-N 0 1 278.783 2.576 20 30 CFEDMN C=CCN1CC([C@H](C)NC(=O)c2csc(C(C)C)n2)C1 ZINC000970589237 613673570 /nfs/dbraw/zinc/67/35/70/613673570.db2.gz KDMKXSHRWDTOLQ-NSHDSACASA-N 0 1 293.436 2.503 20 30 CFEDMN C=CCN1CC([C@H](C)NC(=O)c2occc2C(C)C)C1 ZINC000970325853 613674388 /nfs/dbraw/zinc/67/43/88/613674388.db2.gz KJLPVPUQGZTSIB-LBPRGKRZSA-N 0 1 276.380 2.639 20 30 CFEDMN C=CCN1CCCN(C(=O)CC2(C)CCCC2)CC1 ZINC000981099672 613688442 /nfs/dbraw/zinc/68/84/42/613688442.db2.gz GPDSZHIPQKWBFM-UHFFFAOYSA-N 0 1 264.413 2.677 20 30 CFEDMN C=CCN1CCCN(C(=O)Cc2cc3ccccc3o2)CC1 ZINC000981722246 613690086 /nfs/dbraw/zinc/69/00/86/613690086.db2.gz TWKJTFRLWPXCFQ-UHFFFAOYSA-N 0 1 298.386 2.696 20 30 CFEDMN C=CCN1CCCN(C(=O)C[C@@H]2CC[C@@H](C)C2)CC1 ZINC000981782425 613690361 /nfs/dbraw/zinc/69/03/61/613690361.db2.gz YGYGYAHAWPEIIU-HUUCEWRRSA-N 0 1 264.413 2.533 20 30 CFEDMN C=CCN1CCCN(C(=O)[C@@H](C)CC2CCCC2)CC1 ZINC000982071330 613690731 /nfs/dbraw/zinc/69/07/31/613690731.db2.gz BRRVVCKURORIFE-HNNXBMFYSA-N 0 1 278.440 2.923 20 30 CFEDMN C=CCN1CCCN(C(=O)[C@@H]2CCC=CCCC2)CC1 ZINC000981431635 613691915 /nfs/dbraw/zinc/69/19/15/613691915.db2.gz RKAGJNUDCBALGA-MRXNPFEDSA-N 0 1 276.424 2.843 20 30 CFEDMN C=CCN1CCCN(C(=O)[C@@H]2C[C@@]2(CC)C(C)C)CC1 ZINC000983391437 613692984 /nfs/dbraw/zinc/69/29/84/613692984.db2.gz WAPRXBYACMCZBO-RDJZCZTQSA-N 0 1 278.440 2.779 20 30 CFEDMN C=CCN1CCCN(C(=O)[C@H]2CCCC[C@@H]2C2CC2)CC1 ZINC000981684658 613693609 /nfs/dbraw/zinc/69/36/09/613693609.db2.gz IWHMZOJFSZLUQJ-SJORKVTESA-N 0 1 290.451 2.923 20 30 CFEDMN C=CCN1CCCN(C(=O)[C@]2(C)CCC[C@@H]2C)CC1 ZINC000981898106 613695543 /nfs/dbraw/zinc/69/55/43/613695543.db2.gz HFLCDIBXXKLERJ-GOEBONIOSA-N 0 1 264.413 2.533 20 30 CFEDMN C=CCN1CCCN(C(=O)c2ccc(F)c(Cl)c2)CC1 ZINC000981849132 613697152 /nfs/dbraw/zinc/69/71/52/613697152.db2.gz IARIEXAXQQDUCB-UHFFFAOYSA-N 0 1 296.773 2.813 20 30 CFEDMN C=CCN1CC[C@@H](C)[C@@H](NC(=O)Cc2cccc(C)c2)C1 ZINC000968052908 613728154 /nfs/dbraw/zinc/72/81/54/613728154.db2.gz BYKOUWRWIKADDB-WBVHZDCISA-N 0 1 286.419 2.550 20 30 CFEDMN C=CCN1CC[C@@H](C)[C@@H](NC(=O)CC2CCCC2)C1 ZINC000964772162 613728190 /nfs/dbraw/zinc/72/81/90/613728190.db2.gz MAGOAQBTHQTJJS-HIFRSBDPSA-N 0 1 264.413 2.579 20 30 CFEDMN C=CCN1CC[C@@H](C)[C@@H](NC(=O)CC2CC(C)(C)C2)C1 ZINC000967993755 613728199 /nfs/dbraw/zinc/72/81/99/613728199.db2.gz LXRNVFSDEUWUKB-HIFRSBDPSA-N 0 1 278.440 2.825 20 30 CFEDMN C=CCN1CC[C@@H](C)[C@@H](NC(=O)c2ccccc2C)C1 ZINC000964772457 613730695 /nfs/dbraw/zinc/73/06/95/613730695.db2.gz MTQVUKHALIZNAC-ZBFHGGJFSA-N 0 1 272.392 2.621 20 30 CFEDMN C=CCN1CC[C@@H](C)[C@@H](NC(=O)c2cccc3c2CCC3)C1 ZINC000968695979 613730748 /nfs/dbraw/zinc/73/07/48/613730748.db2.gz XVVRFJSAMXACOO-KDOFPFPSSA-N 0 1 298.430 2.802 20 30 CFEDMN C=CCN1CC[C@@H](C)[C@@H](NC(=O)c2ccoc2C2CC2)C1 ZINC000968033074 613730846 /nfs/dbraw/zinc/73/08/46/613730846.db2.gz BJYWHPZUYFMUSV-DOMZBBRYSA-N 0 1 288.391 2.783 20 30 CFEDMN C=CCN1CC[C@@H](C)[C@H](NC(=O)C(C)(C)C2CCC2)C1 ZINC000967501435 613731911 /nfs/dbraw/zinc/73/19/11/613731911.db2.gz UJODOAGKYMYBJH-UKRRQHHQSA-N 0 1 278.440 2.825 20 30 CFEDMN C=CCN1CC[C@@H](C)[C@H](NC(=O)C2CC3(CCC3)C2)C1 ZINC000967707075 613732995 /nfs/dbraw/zinc/73/29/95/613732995.db2.gz CHMSRZMJWABBEV-UKRRQHHQSA-N 0 1 276.424 2.579 20 30 CFEDMN C=CCN1CC[C@@H](C)[C@H](NC(=O)c2cccc(Cl)c2)C1 ZINC000968580693 613735256 /nfs/dbraw/zinc/73/52/56/613735256.db2.gz YTLQSJIRDIWSOE-IUODEOHRSA-N 0 1 292.810 2.966 20 30 CFEDMN C=CCN1CC[C@@H](C)[C@H](NC(=O)c2oc(C)cc2C)C1 ZINC000965846274 613736742 /nfs/dbraw/zinc/73/67/42/613736742.db2.gz YCMQLINIEFJPCJ-BXUZGUMPSA-N 0 1 276.380 2.523 20 30 CFEDMN C=CCN1CC[C@H](C)[C@@H](NC(=O)c2[nH]ccc2C2CC2)C1 ZINC000966636063 613768080 /nfs/dbraw/zinc/76/80/80/613768080.db2.gz UVZXWGFEYXZWSG-WFASDCNBSA-N 0 1 287.407 2.518 20 30 CFEDMN C=CCN1CC[C@H](C)[C@@H](NC(=O)c2ccoc2C2CC2)C1 ZINC000968033077 613770529 /nfs/dbraw/zinc/77/05/29/613770529.db2.gz BJYWHPZUYFMUSV-WFASDCNBSA-N 0 1 288.391 2.783 20 30 CFEDMN C=CCN1CC[C@H](C)[C@H](NC(=O)Cc2ccsc2C)C1 ZINC000968390142 613772364 /nfs/dbraw/zinc/77/23/64/613772364.db2.gz GFVHZGWDVKLWKG-SWLSCSKDSA-N 0 1 292.448 2.612 20 30 CFEDMN C=CCN1C[C@@H](NC(=O)C23CCC(CC2)CC3)C(C)(C)C1 ZINC000977603029 613805889 /nfs/dbraw/zinc/80/58/89/613805889.db2.gz JNBAIEJNQHXIPK-SWKXRBFHSA-N 0 1 290.451 2.969 20 30 CFEDMN C=CCN1C[C@@H](NC(=O)C(C)(C)C2CCC2)C(C)(C)C1 ZINC000974873543 613806290 /nfs/dbraw/zinc/80/62/90/613806290.db2.gz UUCXLVUCYUIBOT-CQSZACIVSA-N 0 1 278.440 2.825 20 30 CFEDMN C=CCN1C[C@@H](NC(=O)c2cc(C)ccc2C)C(C)(C)C1 ZINC000977538824 613809110 /nfs/dbraw/zinc/80/91/10/613809110.db2.gz GNBHOSXIKQZOCH-MRXNPFEDSA-N 0 1 286.419 2.930 20 30 CFEDMN C=CCN1C[C@H](NC(=O)c2c(C)oc(C)c2C)C(C)(C)C1 ZINC000974792071 613828310 /nfs/dbraw/zinc/82/83/10/613828310.db2.gz SGEGWFJHUNWLDZ-AWEZNQCLSA-N 0 1 290.407 2.831 20 30 CFEDMN C=CCN1C[C@H](NC(=O)c2ccc3[nH]ccc3c2)C(C)(C)C1 ZINC000974987869 613829078 /nfs/dbraw/zinc/82/90/78/613829078.db2.gz UVCDCPIMNXMPHD-INIZCTEOSA-N 0 1 297.402 2.794 20 30 CFEDMN CC(C)C(=O)N1CCCC[C@H]1CNCc1ccccc1C#N ZINC000959882747 614356010 /nfs/dbraw/zinc/35/60/10/614356010.db2.gz FNAGAZRCCUJCAH-KRWDZBQOSA-N 0 1 299.418 2.685 20 30 CFEDMN COCCOCc1ccc(C=NNc2ncccc2C)cc1 ZINC000807983884 618034745 /nfs/dbraw/zinc/03/47/45/618034745.db2.gz ATYJTVJMFPNFAB-UHFFFAOYSA-N 0 1 299.374 2.999 20 30 CFEDMN C=CC[C@@H]1CCN1C(=O)c1c(Cl)[nH]nc1C1CC1 ZINC000890548353 617637742 /nfs/dbraw/zinc/63/77/42/617637742.db2.gz QCVJKSHVUHZGPR-SECBINFHSA-N 0 1 265.744 2.731 20 30 CFEDMN C=CC[C@@H]1CCN1C(=O)c1cccc(Br)c1O ZINC000890557071 617650002 /nfs/dbraw/zinc/65/00/02/617650002.db2.gz RJNQPXAKSJBNCK-SECBINFHSA-N 0 1 296.164 2.945 20 30 CFEDMN N#Cc1ccc(CCN[C@@H](c2ncccn2)C2CC2)cc1 ZINC000932353429 617688920 /nfs/dbraw/zinc/68/89/20/617688920.db2.gz METHTFARBGEESD-MRXNPFEDSA-N 0 1 278.359 2.632 20 30 CFEDMN N#Cc1cc(CN2CCC[C@H](c3cc[nH]n3)C2)cs1 ZINC000891723532 617729817 /nfs/dbraw/zinc/72/98/17/617729817.db2.gz OGNXFZRDRDXDRB-LBPRGKRZSA-N 0 1 272.377 2.722 20 30 CFEDMN N#Cc1cc(CN2CCC[C@H](c3ncc[nH]3)C2)cs1 ZINC000891724309 617730250 /nfs/dbraw/zinc/73/02/50/617730250.db2.gz CRRMLHGIIPWDSF-LBPRGKRZSA-N 0 1 272.377 2.722 20 30 CFEDMN C#CCON=C1CN(Cc2ccccc2)CC[C@@H]1C ZINC000812235806 617748080 /nfs/dbraw/zinc/74/80/80/617748080.db2.gz AWAHENRIGALEKZ-AWEZNQCLSA-N 0 1 256.349 2.534 20 30 CFEDMN CC(=NOCCOC(C)C)c1cc(F)cc(F)c1O ZINC000812238950 617751173 /nfs/dbraw/zinc/75/11/73/617751173.db2.gz JYHJWDSXOGNZQU-UHFFFAOYSA-N 0 1 273.279 2.836 20 30 CFEDMN N#CC[C@@H](O)CN1CC=C(c2c[nH]c3ccccc23)CC1 ZINC000933817464 617782185 /nfs/dbraw/zinc/78/21/85/617782185.db2.gz CJABZWMOYWZIMO-CQSZACIVSA-N 0 1 281.359 2.532 20 30 CFEDMN Cc1cc(F)c(C#N)c(NCCCCN2CCOCC2)c1 ZINC000891856084 617789050 /nfs/dbraw/zinc/78/90/50/617789050.db2.gz RCPXZWRPQBDVPD-UHFFFAOYSA-N 0 1 291.370 2.530 20 30 CFEDMN C=CCCCCCCNC(=O)N1CCN(CC2CC2)CC1 ZINC000807570558 617901278 /nfs/dbraw/zinc/90/12/78/617901278.db2.gz ADMAVZLEBQHLSA-UHFFFAOYSA-N 0 1 293.455 2.860 20 30 CFEDMN C=CCCCN(CC)C(=O)c1ccc(CN(C)C)nc1 ZINC000890812383 617910381 /nfs/dbraw/zinc/91/03/81/617910381.db2.gz JZHFTUDDEGYUCA-UHFFFAOYSA-N 0 1 275.396 2.572 20 30 CFEDMN C=CCCCN(CC)C(=O)c1cc(C(F)(F)F)[nH]n1 ZINC000890813291 617910829 /nfs/dbraw/zinc/91/08/29/617910829.db2.gz ZBFHNRLNTOLKLQ-UHFFFAOYSA-N 0 1 275.274 2.857 20 30 CFEDMN Cn1nc2c(c1CN=Nc1cccc(F)c1F)CCC2 ZINC000901194896 620762787 /nfs/dbraw/zinc/76/27/87/620762787.db2.gz AFVFJRHREJDWRV-UHFFFAOYSA-N 0 1 276.290 2.633 20 30 CFEDMN C[C@H]1CN(CC2(CC#N)CC2)CCN1c1ccccc1 ZINC000934320868 617999173 /nfs/dbraw/zinc/99/91/73/617999173.db2.gz XSEHOUGAOULZQK-HNNXBMFYSA-N 0 1 269.392 2.891 20 30 CFEDMN COc1nccc(CN=Nc2nccnc2C(C)C)c1F ZINC000901231020 620768256 /nfs/dbraw/zinc/76/82/56/620768256.db2.gz ANHLWUFRZXZUGB-UHFFFAOYSA-N 0 1 289.314 2.589 20 30 CFEDMN CC#CC[N@H+]1CC[C@@H]2[C@H](CCCN2C(=O)c2ccccc2)C1 ZINC001021506870 618034446 /nfs/dbraw/zinc/03/44/46/618034446.db2.gz UHEXEFCYVMUEHA-QZTJIDSGSA-N 0 1 296.414 2.636 20 30 CFEDMN C=CC[C@@H]1CCN1[C@@H](C)C(=O)N[C@H](C)c1ccccc1 ZINC000934458605 618038833 /nfs/dbraw/zinc/03/88/33/618038833.db2.gz ALCAHLCRZIERBP-IJEWVQPXSA-N 0 1 272.392 2.903 20 30 CFEDMN C=CC[C@H]1CC[N@H+]1C[C@@H](C)C(=O)c1ccc([O-])cc1 ZINC000934459079 618039486 /nfs/dbraw/zinc/03/94/86/618039486.db2.gz ADTZATINOYUZPU-OCCSQVGLSA-N 0 1 259.349 2.861 20 30 CFEDMN C=CC[C@H]1CC[N@@H+]1C[C@@H](C)C(=O)c1ccc([O-])cc1 ZINC000934459079 618039492 /nfs/dbraw/zinc/03/94/92/618039492.db2.gz ADTZATINOYUZPU-OCCSQVGLSA-N 0 1 259.349 2.861 20 30 CFEDMN C=CC[C@@H]1CCN1CC(=O)N(Cc1ccccc1)C1CC1 ZINC000934470249 618046254 /nfs/dbraw/zinc/04/62/54/618046254.db2.gz MFCBYBOOYACRBL-MRXNPFEDSA-N 0 1 284.403 2.828 20 30 CFEDMN C=CC[C@@H]1CCN1CC(=O)N1CCC[C@H]2CCCC[C@@H]21 ZINC000934471635 618046723 /nfs/dbraw/zinc/04/67/23/618046723.db2.gz MMOBSKAQXRGIOO-OAGGEKHMSA-N 0 1 276.424 2.818 20 30 CFEDMN C=CC[C@@H]1CC[N@@H+]1C[C@H](O)c1c(F)cccc1F ZINC000934472058 618047109 /nfs/dbraw/zinc/04/71/09/618047109.db2.gz YKBONDSOVSMCMZ-MFKMUULPSA-N 0 1 253.292 2.649 20 30 CFEDMN C=CC[C@@H]1CCN1C[C@H](O)c1c(F)cccc1F ZINC000934472058 618047113 /nfs/dbraw/zinc/04/71/13/618047113.db2.gz YKBONDSOVSMCMZ-MFKMUULPSA-N 0 1 253.292 2.649 20 30 CFEDMN CC(C)Cc1ccc(C=NNc2ccncn2)cn1 ZINC000901250570 620772246 /nfs/dbraw/zinc/77/22/46/620772246.db2.gz WIRDPUHZSAUHMK-UHFFFAOYSA-N 0 1 255.325 2.516 20 30 CFEDMN Cc1cc(CN2CCOC[C@@]2(C)C2CC2)ccc1C#N ZINC000934479273 618050885 /nfs/dbraw/zinc/05/08/85/618050885.db2.gz QXYVYTUQBBHSPA-KRWDZBQOSA-N 0 1 270.376 2.868 20 30 CFEDMN COc1ccc(N=NCc2c(C)nn(C(C)C)c2C)nc1 ZINC000901227365 620774316 /nfs/dbraw/zinc/77/43/16/620774316.db2.gz MPESROGPUZXAQD-UHFFFAOYSA-N 0 1 287.367 2.930 20 30 CFEDMN Cc1cc(C)cc(CNCc2ccc(C#N)cn2)c1 ZINC000780555572 618105344 /nfs/dbraw/zinc/10/53/44/618105344.db2.gz ICZMDPRKEKTNPK-UHFFFAOYSA-N 0 1 251.333 2.860 20 30 CFEDMN CCCCCCCC(=O)N[C@@H](CCC)c1nn[nH]n1 ZINC000176748713 618108653 /nfs/dbraw/zinc/10/86/53/618108653.db2.gz ZQIBWIJJGAXDIC-NSHDSACASA-N 0 1 267.377 2.518 20 30 CFEDMN Cc1cccc(N=NCc2cnn(C3CCC3)c2)n1 ZINC000901267165 620778086 /nfs/dbraw/zinc/77/80/86/620778086.db2.gz FYAGDEMQKGWKLD-UHFFFAOYSA-N 0 1 255.325 2.758 20 30 CFEDMN C=CC[C@@H](C)NC(=O)c1ccc(CN2CCCCC2)o1 ZINC000933038391 618144709 /nfs/dbraw/zinc/14/47/09/618144709.db2.gz JKYKQINDWLQINZ-CYBMUJFWSA-N 0 1 276.380 2.960 20 30 CFEDMN N#Cc1csc(CN2CCCC[C@H]([C@@H]3CCOC3)C2)n1 ZINC000934834691 618145051 /nfs/dbraw/zinc/14/50/51/618145051.db2.gz RJNLVTMJKUIHOL-QWHCGFSZSA-N 0 1 291.420 2.653 20 30 CFEDMN O=C(/C=C\c1cccc2c1OCO2)c1ccc(O)cc1O ZINC000255573037 618170020 /nfs/dbraw/zinc/17/00/20/618170020.db2.gz FMFKSHKRYFFVQW-DAXSKMNVSA-N 0 1 284.267 2.723 20 30 CFEDMN C#CCC1(NCc2ccsc2C(=O)OC)CCC1 ZINC000933299322 618194049 /nfs/dbraw/zinc/19/40/49/618194049.db2.gz SGMNMOIFZMLWLW-UHFFFAOYSA-N 0 1 263.362 2.570 20 30 CFEDMN C[C@@H]1C[C@@H](NN=Cc2ccc(F)c(F)c2O)C[C@H](C)O1 ZINC000901298385 620785414 /nfs/dbraw/zinc/78/54/14/620785414.db2.gz DPTOOQHQUYDSJY-DOFRTFSJSA-N 0 1 284.306 2.550 20 30 CFEDMN N#Cc1ccc(O)c(NC(=O)Cc2ccccc2F)c1 ZINC000176814117 618204876 /nfs/dbraw/zinc/20/48/76/618204876.db2.gz RDCRTHGBHYLBFP-UHFFFAOYSA-N 0 1 270.263 2.584 20 30 CFEDMN COc1cc(C(=O)Nc2cc(C#N)ccc2O)ccc1C ZINC000176828530 618207683 /nfs/dbraw/zinc/20/76/83/618207683.db2.gz CLFHTDLFVAILPA-UHFFFAOYSA-N 0 1 282.299 2.833 20 30 CFEDMN N#Cc1ccc(F)c(CNC2([C@H]3CCCCO3)CC2)c1 ZINC000933378663 618214563 /nfs/dbraw/zinc/21/45/63/618214563.db2.gz WDWIWKVFSJAMJG-OAHLLOKOSA-N 0 1 274.339 2.889 20 30 CFEDMN CCC[C@H](CN1CCN(C(=O)CC#N)CC1)c1ccccc1 ZINC000895066477 618252872 /nfs/dbraw/zinc/25/28/72/618252872.db2.gz SWIQQEBHVZYIND-QGZVFWFLSA-N 0 1 299.418 2.628 20 30 CFEDMN C=CCN(CCOC)Cc1cc(O)cc(Cl)c1 ZINC000893992206 618260784 /nfs/dbraw/zinc/26/07/84/618260784.db2.gz JJXIHIBDSJFRTL-UHFFFAOYSA-N 0 1 255.745 2.680 20 30 CFEDMN C=C(Cl)C[N@@H+]1CC[C@H](CN(CC)CC(F)(F)F)C1 ZINC000177045060 618265936 /nfs/dbraw/zinc/26/59/36/618265936.db2.gz DIIRBJVSQDUIDS-LLVKDONJSA-N 0 1 284.753 2.945 20 30 CFEDMN C=C(Cl)CN1CC[C@H](CN(CC)CC(F)(F)F)C1 ZINC000177045060 618265940 /nfs/dbraw/zinc/26/59/40/618265940.db2.gz DIIRBJVSQDUIDS-LLVKDONJSA-N 0 1 284.753 2.945 20 30 CFEDMN C#CCN1CCC(C(=O)Nc2nsc3ccccc32)CC1 ZINC000892434820 618266762 /nfs/dbraw/zinc/26/67/62/618266762.db2.gz OWDIOHURZUARND-UHFFFAOYSA-N 0 1 299.399 2.580 20 30 CFEDMN C#C[C@H](N[C@@H](C)c1ccnc(Cl)c1)[C@H]1CCCO1 ZINC000775574889 618280656 /nfs/dbraw/zinc/28/06/56/618280656.db2.gz SYAMAEBPFXOFAI-WCFLWFBJSA-N 0 1 264.756 2.566 20 30 CFEDMN C=C(C)C[N@H+]1CCCC[C@@H]1CNC(=O)c1scnc1C ZINC001024337455 618295687 /nfs/dbraw/zinc/29/56/87/618295687.db2.gz OQWDGNZBYVUAPU-CYBMUJFWSA-N 0 1 293.436 2.612 20 30 CFEDMN C=C(C)CN1CCCC[C@@H]1CNC(=O)c1scnc1C ZINC001024337455 618295689 /nfs/dbraw/zinc/29/56/89/618295689.db2.gz OQWDGNZBYVUAPU-CYBMUJFWSA-N 0 1 293.436 2.612 20 30 CFEDMN N#Cc1ccc([C@H](O)CN2CCc3sccc3C2)cc1 ZINC000034673978 618330766 /nfs/dbraw/zinc/33/07/66/618330766.db2.gz YZTXVDLWDKDDIV-OAHLLOKOSA-N 0 1 284.384 2.711 20 30 CFEDMN C[C@@H]1CCC[C@@H](C(=O)C(C#N)C(=O)NCc2ccccc2)C1 ZINC000246580277 618336620 /nfs/dbraw/zinc/33/66/20/618336620.db2.gz OARXGZSOVQVEIP-BMFZPTHFSA-N 0 1 298.386 2.838 20 30 CFEDMN Cc1cc(C(C#N)C(=O)C[C@H]2CCC3(CCC3)O2)nc(C)n1 ZINC000892476960 618337953 /nfs/dbraw/zinc/33/79/53/618337953.db2.gz UHPYTLCCUWCGLS-ZIAGYGMSSA-N 0 1 299.374 2.762 20 30 CFEDMN Cc1cc(C(C#N)C(=O)[C@@H]2CCOC3(CCC3)C2)nc(C)n1 ZINC000892477357 618339251 /nfs/dbraw/zinc/33/92/51/618339251.db2.gz VOWGPINQRGXNBE-ZIAGYGMSSA-N 0 1 299.374 2.619 20 30 CFEDMN C=CCN1CCCC[C@@H]1CNC(=O)c1ccc(CC)o1 ZINC001024511383 618340678 /nfs/dbraw/zinc/34/06/78/618340678.db2.gz GSWFEYMVQRKAQV-CYBMUJFWSA-N 0 1 276.380 2.612 20 30 CFEDMN C#CC[N@@H+]1CCCC[C@H]1CNC(=O)[C@@H]1CCC=CCCC1 ZINC001024507740 618341082 /nfs/dbraw/zinc/34/10/82/618341082.db2.gz XUTMZINLKNFGEX-SJORKVTESA-N 0 1 288.435 2.727 20 30 CFEDMN C#CCN1CCCC[C@H]1CNC(=O)[C@@H]1CCC=CCCC1 ZINC001024507740 618341091 /nfs/dbraw/zinc/34/10/91/618341091.db2.gz XUTMZINLKNFGEX-SJORKVTESA-N 0 1 288.435 2.727 20 30 CFEDMN N#Cc1ccc(O)c(NC(=O)/C=C/c2cccs2)c1 ZINC000179736162 618343140 /nfs/dbraw/zinc/34/31/40/618343140.db2.gz LWCZNVVUOLVKID-GQCTYLIASA-N 0 1 270.313 2.977 20 30 CFEDMN C=CC[N@@H+](CC(=O)[O-])Cc1ccc(OC(C)C)cc1 ZINC000092468936 618346382 /nfs/dbraw/zinc/34/63/82/618346382.db2.gz IVFINBIKUYSWHB-UHFFFAOYSA-N 0 1 263.337 2.546 20 30 CFEDMN N#CC(C(=O)C[C@@H]1CCC2(CCC2)CO1)c1ccccn1 ZINC000892483127 618359894 /nfs/dbraw/zinc/35/98/94/618359894.db2.gz KSEWYLHPTVZDQV-UONOGXRCSA-N 0 1 284.359 2.997 20 30 CFEDMN C#CC[C@@H](N[C@@H](C)c1ccnnc1)c1ccccc1 ZINC000925636228 618369444 /nfs/dbraw/zinc/36/94/44/618369444.db2.gz BEPYQLUCNTZCKA-XJKSGUPXSA-N 0 1 251.333 2.892 20 30 CFEDMN C[C@H](CC1(C#N)CCOCC1)NCc1cnc(Cl)s1 ZINC000895151135 618395075 /nfs/dbraw/zinc/39/50/75/618395075.db2.gz HRPFLLCRTJAMKG-SNVBAGLBSA-N 0 1 299.827 2.985 20 30 CFEDMN COCCCNN=Cc1ccc(N2CCCCC2)s1 ZINC000794539901 618400675 /nfs/dbraw/zinc/40/06/75/618400675.db2.gz RPTNETOFZJZDQL-UHFFFAOYSA-N 0 1 281.425 2.698 20 30 CFEDMN C=CCN1CCCC[C@@H]1CNC(=O)[C@H]1CCC1(C)C ZINC001024596807 618405641 /nfs/dbraw/zinc/40/56/41/618405641.db2.gz KFZWZFJXAKBLMO-ZIAGYGMSSA-N 0 1 264.413 2.579 20 30 CFEDMN C=CCCSCCN[C@@H](C)c1cc(OC)no1 ZINC000926682383 618411500 /nfs/dbraw/zinc/41/15/00/618411500.db2.gz CHVOTFQQJUXVNN-JTQLQIEISA-N 0 1 256.371 2.643 20 30 CFEDMN C=C(C)CN1CCCC[C@H]1CNC(=O)c1cocc1C ZINC001024604952 618412283 /nfs/dbraw/zinc/41/22/83/618412283.db2.gz SBPVJJVPLHJTRU-AWEZNQCLSA-N 0 1 276.380 2.748 20 30 CFEDMN C#CCN1CCCC[C@H]1CNC(=O)c1ccc(C=C)cc1 ZINC001024671916 618437443 /nfs/dbraw/zinc/43/74/43/618437443.db2.gz NRSHBSFTVZCJPC-KRWDZBQOSA-N 0 1 282.387 2.547 20 30 CFEDMN C#CCN1CCCC[C@H]1CNC(=O)c1c(C)cccc1C ZINC001024669253 618437969 /nfs/dbraw/zinc/43/79/69/618437969.db2.gz DWMJSJKSYFCJLN-INIZCTEOSA-N 0 1 284.403 2.521 20 30 CFEDMN C=CCN1CCCC[C@@H]1CNC(=O)[C@H]1C[C@@H]1c1ccccc1 ZINC001024696360 618446587 /nfs/dbraw/zinc/44/65/87/618446587.db2.gz HSWANZSHJVBWHW-KURKYZTESA-N 0 1 298.430 2.947 20 30 CFEDMN C=CCN1CCCC[C@H]1CNC(=O)c1cncc(Cl)c1 ZINC001024711922 618449895 /nfs/dbraw/zinc/44/98/95/618449895.db2.gz NAQZJLHDGHKRME-AWEZNQCLSA-N 0 1 293.798 2.505 20 30 CFEDMN C=CCN1CCCC[C@@H]1CNC(=O)c1ccc(Cl)cn1 ZINC001024767743 618466257 /nfs/dbraw/zinc/46/62/57/618466257.db2.gz HLQUENNUERDXLG-CYBMUJFWSA-N 0 1 293.798 2.505 20 30 CFEDMN CC#CCN1CCCC[C@@H]1CNC(=O)c1cccc(C)c1C ZINC001024785759 618469421 /nfs/dbraw/zinc/46/94/21/618469421.db2.gz ORYMUCKYOYKSEN-QGZVFWFLSA-N 0 1 298.430 2.911 20 30 CFEDMN C#CCN1CCCC[C@H]1CNC(=O)c1cccc(C)c1C ZINC001024786463 618469671 /nfs/dbraw/zinc/46/96/71/618469671.db2.gz JXKINLDWYPAYKT-INIZCTEOSA-N 0 1 284.403 2.521 20 30 CFEDMN Cc1ccc(N=NC(C)c2cc(O)ccc2O)nc1 ZINC000727259914 618476055 /nfs/dbraw/zinc/47/60/55/618476055.db2.gz NHKAXEGKLHGEBY-UHFFFAOYSA-N 0 1 257.293 2.637 20 30 CFEDMN C=CCOc1ccc(CNC[C@H]2CC(C)=NO2)cc1OC ZINC000895311052 618526716 /nfs/dbraw/zinc/52/67/16/618526716.db2.gz NQSSANYVMXOQKM-CQSZACIVSA-N 0 1 290.363 2.514 20 30 CFEDMN N#CC[C@H]1CCCN(Cc2cnn(CC3CCC3)c2)C1 ZINC000895314044 618530334 /nfs/dbraw/zinc/53/03/34/618530334.db2.gz QJTPJISSCWXWIN-OAHLLOKOSA-N 0 1 272.396 2.809 20 30 CFEDMN C=CCCC(C)(C)NCc1ncc(C(=O)OC)s1 ZINC000895349188 618544326 /nfs/dbraw/zinc/54/43/26/618544326.db2.gz BONQCFQRFVUYEN-UHFFFAOYSA-N 0 1 268.382 2.764 20 30 CFEDMN C=C[C@H](CO)NCc1sccc1NC(=O)OC(C)(C)C ZINC000895461345 618597698 /nfs/dbraw/zinc/59/76/98/618597698.db2.gz KOSANIIGBWNIJJ-SNVBAGLBSA-N 0 1 298.408 2.732 20 30 CFEDMN Cc1cc(F)c(C#N)c(N2CCN(C3CCC3)CC2)c1 ZINC000892517380 618605524 /nfs/dbraw/zinc/60/55/24/618605524.db2.gz IPIQDSPJLJLKBG-UHFFFAOYSA-N 0 1 273.355 2.680 20 30 CFEDMN C[C@H](C#N)OC(=O)c1cccc2nc(C(F)F)[nH]c21 ZINC000924080162 618611861 /nfs/dbraw/zinc/61/18/61/618611861.db2.gz KBMBWESJJYNAAR-ZCFIWIBFSA-N 0 1 265.219 2.569 20 30 CFEDMN COc1ccc(CNCc2cccc(O)c2)cc1C#N ZINC000174332966 618628467 /nfs/dbraw/zinc/62/84/67/618628467.db2.gz SFQCCXGVYMETRY-UHFFFAOYSA-N 0 1 268.316 2.562 20 30 CFEDMN CCCCCCCCCCN1CCOC[C@H]1CO ZINC000168785335 618718757 /nfs/dbraw/zinc/71/87/57/618718757.db2.gz AYNWHBPNCCJSHM-OAHLLOKOSA-N 0 1 257.418 2.820 20 30 CFEDMN C=CCC1(C(=O)O[C@@H](C)c2n[nH]c(C)n2)CCCC1 ZINC000840582007 618765765 /nfs/dbraw/zinc/76/57/65/618765765.db2.gz ILXBBYNGMZVPCU-JTQLQIEISA-N 0 1 263.341 2.854 20 30 CFEDMN Cc1cc(C#N)nc(N[C@H]2CN(C)Cc3ccccc32)c1 ZINC000892995476 618795194 /nfs/dbraw/zinc/79/51/94/618795194.db2.gz QSKOBVGGDZPNEK-INIZCTEOSA-N 0 1 278.359 2.860 20 30 CFEDMN C=CCCC[C@H](C(=O)OCc1c[nH]nn1)c1ccccc1 ZINC000892996193 618795765 /nfs/dbraw/zinc/79/57/65/618795765.db2.gz UJPSMIKGSYVGIJ-HNNXBMFYSA-N 0 1 285.347 2.988 20 30 CFEDMN CC(C)CN(CCC#N)CC[C@@H](O)c1ccccc1 ZINC000311998140 618816943 /nfs/dbraw/zinc/81/69/43/618816943.db2.gz PCCINLJXWRDMTM-MRXNPFEDSA-N 0 1 260.381 2.982 20 30 CFEDMN N#C[C@@H](C(=O)CCF)c1cc(C(F)(F)F)ccn1 ZINC000893061752 618817211 /nfs/dbraw/zinc/81/72/11/618817211.db2.gz OSZKMXJXZHCRBE-MRVPVSSYSA-N 0 1 260.190 2.636 20 30 CFEDMN CCn1cc(CN[C@@H](C)c2cccc(C#N)c2)c(C)n1 ZINC000893077470 618823060 /nfs/dbraw/zinc/82/30/60/618823060.db2.gz JDHNNUBAAYMABB-LBPRGKRZSA-N 0 1 268.364 2.934 20 30 CFEDMN N#Cc1ccc2nc(NC(=O)C3(C4CC4)CC3)[nH]c2c1 ZINC000893154334 618849855 /nfs/dbraw/zinc/84/98/55/618849855.db2.gz RWOCPFMNZFTMRA-UHFFFAOYSA-N 0 1 266.304 2.563 20 30 CFEDMN Cn1ncc(CNC2(c3cccc(C#N)c3)CC2)c1C1CC1 ZINC000893192619 618875232 /nfs/dbraw/zinc/87/52/32/618875232.db2.gz YSYZFDODUNSXNG-UHFFFAOYSA-N 0 1 292.386 2.948 20 30 CFEDMN C=CCN1CCC[C@@H](NC(=O)c2c(C)[nH]c3ccccc32)C1 ZINC001007859306 618880038 /nfs/dbraw/zinc/88/00/38/618880038.db2.gz MMOZOUUBTFQUMR-CQSZACIVSA-N 0 1 297.402 2.857 20 30 CFEDMN C=C(C)CN1CCC[C@H](NC(=O)c2ccc(C)c(F)c2)C1 ZINC001007864742 618880950 /nfs/dbraw/zinc/88/09/50/618880950.db2.gz LEOVLIXKRSMPPI-HNNXBMFYSA-N 0 1 290.382 2.904 20 30 CFEDMN C=C(C)C[N@H+]1CCC[C@H](NC(=O)c2occ3c2CCC3)C1 ZINC001008056470 618910976 /nfs/dbraw/zinc/91/09/76/618910976.db2.gz JHJIYCAUTWHJIX-AWEZNQCLSA-N 0 1 288.391 2.539 20 30 CFEDMN C=C(C)CN1CCC[C@H](NC(=O)c2occ3c2CCC3)C1 ZINC001008056470 618910977 /nfs/dbraw/zinc/91/09/77/618910977.db2.gz JHJIYCAUTWHJIX-AWEZNQCLSA-N 0 1 288.391 2.539 20 30 CFEDMN N#CC1(NC(=O)c2cc(F)cc(F)c2O)CCCCC1 ZINC000931297066 618935168 /nfs/dbraw/zinc/93/51/68/618935168.db2.gz RVCMKGWBCHKNNU-UHFFFAOYSA-N 0 1 280.274 2.627 20 30 CFEDMN C=CC[C@H](CO)CN[C@H]1COCc2cccc(Cl)c21 ZINC000925694853 618942676 /nfs/dbraw/zinc/94/26/76/618942676.db2.gz GKNANZKMEODDPN-FZMZJTMJSA-N 0 1 281.783 2.686 20 30 CFEDMN C=C(C)CN1CCC[C@@H](NC(=O)c2c[nH]cc2C2CC2)C1 ZINC001009031610 618976710 /nfs/dbraw/zinc/97/67/10/618976710.db2.gz URYYZOURCRQCAQ-CQSZACIVSA-N 0 1 287.407 2.662 20 30 CFEDMN C=CCN1CCC[C@H](NC(=O)[C@@H](C)C2CCCC2)C1 ZINC001009156264 618981918 /nfs/dbraw/zinc/98/19/18/618981918.db2.gz VXXDKECZWAZHLP-ZFWWWQNUSA-N 0 1 264.413 2.579 20 30 CFEDMN C=CCN1CCC[C@H](NC(=O)[C@@H]2CC3CCC2CC3)C1 ZINC001009634056 619004874 /nfs/dbraw/zinc/00/48/74/619004874.db2.gz IRFZNFFAABHIPZ-SSHXOBKSSA-N 0 1 276.424 2.579 20 30 CFEDMN N#C[C@H](c1ccc(Cl)cc1)N1CCc2nccc(N)c2C1 ZINC000931515578 619019644 /nfs/dbraw/zinc/01/96/44/619019644.db2.gz GUHVUDJCDBKVCG-MRXNPFEDSA-N 0 1 298.777 2.940 20 30 CFEDMN C[C@H]1CN(C)c2ccccc2CN1Cc1ccc(C#N)o1 ZINC000093637122 619041703 /nfs/dbraw/zinc/04/17/03/619041703.db2.gz NQQDVTTUAWSHQE-ZDUSSCGKSA-N 0 1 281.359 2.992 20 30 CFEDMN C[C@@H](CC(C)(C)C#N)N[C@@H](c1nnc[nH]1)c1ccccc1 ZINC000893559080 619071708 /nfs/dbraw/zinc/07/17/08/619071708.db2.gz GJXFJWDZSPHOKQ-GXTWGEPZSA-N 0 1 283.379 2.812 20 30 CFEDMN CC#CCN1CCC[C@H](c2nc3c(s2)CCC3)C1 ZINC000932190683 619205443 /nfs/dbraw/zinc/20/54/43/619205443.db2.gz DYSFUEZPEBRIHW-LBPRGKRZSA-N 0 1 260.406 2.835 20 30 CFEDMN C=CCC[C@H](NC(=O)NCc1n[nH]c(C)n1)c1ccccc1 ZINC000893767835 619217604 /nfs/dbraw/zinc/21/76/04/619217604.db2.gz ISTAEQHEKCLPBV-AWEZNQCLSA-N 0 1 299.378 2.620 20 30 CFEDMN Cc1[nH]ncc1CCCNC(=O)c1c(C)cc(C#N)cc1C ZINC000893837108 619225824 /nfs/dbraw/zinc/22/58/24/619225824.db2.gz DEONYDLPVRVRSP-UHFFFAOYSA-N 0 1 296.374 2.569 20 30 CFEDMN CN(CCCCC#N)Cc1ccn(-c2ccccc2)n1 ZINC000726596390 619253074 /nfs/dbraw/zinc/25/30/74/619253074.db2.gz JSDLOSJRWUSSHJ-UHFFFAOYSA-N 0 1 268.364 2.998 20 30 CFEDMN NC(CN1CCCCCC1)=NOCc1ccc(F)c(F)c1 ZINC000261405933 619267583 /nfs/dbraw/zinc/26/75/83/619267583.db2.gz CTNIBYZKJAJNCA-UHFFFAOYSA-N 0 1 297.349 2.630 20 30 CFEDMN C=C(C)[C@H]1OCC[C@H]1CNCc1nnc(C(C)C)s1 ZINC000894221475 619269914 /nfs/dbraw/zinc/26/99/14/619269914.db2.gz QXKNVXIMYPSNDH-WCQYABFASA-N 0 1 281.425 2.732 20 30 CFEDMN C#C[C@@H](NCc1c(Cl)n[nH]c1C1CC1)C(C)C ZINC000894387774 619363128 /nfs/dbraw/zinc/36/31/28/619363128.db2.gz VNGSANGTSHGXAD-LLVKDONJSA-N 0 1 251.761 2.688 20 30 CFEDMN CC(C)Oc1ccc(C#N)cc1NCc1cnc[nH]1 ZINC000894422287 619382761 /nfs/dbraw/zinc/38/27/61/619382761.db2.gz JDSCHJCJDMPIEW-UHFFFAOYSA-N 0 1 256.309 2.681 20 30 CFEDMN C#C[C@H](NC1CCS(=O)CC1)c1ccc(Cl)cc1 ZINC000894553637 619418175 /nfs/dbraw/zinc/41/81/75/619418175.db2.gz RWANOLLJJJSJKK-FVRSWCFKSA-N 0 1 281.808 2.515 20 30 CFEDMN C#C[C@H](C)NCc1ccc(C(=O)OC(C)(C)C)s1 ZINC000894737949 619455265 /nfs/dbraw/zinc/45/52/65/619455265.db2.gz KIACIHQCMNUPHF-JTQLQIEISA-N 0 1 265.378 2.815 20 30 CFEDMN C#C[C@H](CC)NCc1ccccc1OCC(F)F ZINC000894738140 619455465 /nfs/dbraw/zinc/45/54/65/619455465.db2.gz OEDCISYIPISNCD-GFCCVEGCSA-N 0 1 253.292 2.832 20 30 CFEDMN Cc1nc([C@@H](C)NCc2ccc(C(C)(C)C#N)cc2)n[nH]1 ZINC000894776405 619460416 /nfs/dbraw/zinc/46/04/16/619460416.db2.gz DLDPGXCMFSISEY-LLVKDONJSA-N 0 1 283.379 2.765 20 30 CFEDMN C#C[C@H](NCc1ccc(OC)c(OC)c1F)C(C)(C)C ZINC000894784681 619467016 /nfs/dbraw/zinc/46/70/16/619467016.db2.gz MUQFNOREZUEMRJ-ZDUSSCGKSA-N 0 1 279.355 2.980 20 30 CFEDMN C#C[C@@H](NCc1n[nH]c(C)c1C)c1ccc(F)cc1 ZINC000894820244 619472806 /nfs/dbraw/zinc/47/28/06/619472806.db2.gz ZYAAAXWIMWMQRI-CQSZACIVSA-N 0 1 257.312 2.630 20 30 CFEDMN CO[C@@]1(C(F)(F)F)CCN(CCC(C)(C)C#N)C1 ZINC000880306103 619476529 /nfs/dbraw/zinc/47/65/29/619476529.db2.gz LRIDVYVHTRMTAL-NSHDSACASA-N 0 1 264.291 2.579 20 30 CFEDMN C[C@H](C#N)OCCN(C)Cc1ccc(Cl)s1 ZINC000304274001 619477066 /nfs/dbraw/zinc/47/70/66/619477066.db2.gz WDPJKCIOCMJRGH-SECBINFHSA-N 0 1 258.774 2.762 20 30 CFEDMN C=CC[N@@H+](C/C=C(/C)C(=O)OC)CCc1ccccc1 ZINC000748814424 619505911 /nfs/dbraw/zinc/50/59/11/619505911.db2.gz ABBGIANADQZNMI-GDNBJRDFSA-N 0 1 273.376 2.836 20 30 CFEDMN C=CCN(C/C=C(/C)C(=O)OC)CCc1ccccc1 ZINC000748814424 619505912 /nfs/dbraw/zinc/50/59/12/619505912.db2.gz ABBGIANADQZNMI-GDNBJRDFSA-N 0 1 273.376 2.836 20 30 CFEDMN COC(=O)c1cc(CNCC(C)(C)CC#N)cs1 ZINC000894983181 619522672 /nfs/dbraw/zinc/52/26/72/619522672.db2.gz AFRPRIGGVCZHMG-UHFFFAOYSA-N 0 1 266.366 2.564 20 30 CFEDMN C=CC[C@@H]1CC[N@@H+](Cc2ncc(Br)cc2[O-])C1 ZINC000895560873 619555734 /nfs/dbraw/zinc/55/57/34/619555734.db2.gz UMMJDELCOVEVFD-SNVBAGLBSA-N 0 1 297.196 2.948 20 30 CFEDMN C=CC[C@@H]1CC[N@H+](Cc2ncc(Br)cc2[O-])C1 ZINC000895560873 619555738 /nfs/dbraw/zinc/55/57/38/619555738.db2.gz UMMJDELCOVEVFD-SNVBAGLBSA-N 0 1 297.196 2.948 20 30 CFEDMN C#CCC1(O)CCN(Cc2ccc([C@@H]3C[C@H]3C)o2)CC1 ZINC000895674613 619579570 /nfs/dbraw/zinc/57/95/70/619579570.db2.gz AGDHJLSPNRCLOJ-UKRRQHHQSA-N 0 1 273.376 2.753 20 30 CFEDMN C#CCC1(O)CCN(Cc2ccc([C@H]3C[C@H]3C)o2)CC1 ZINC000895674612 619579883 /nfs/dbraw/zinc/57/98/83/619579883.db2.gz AGDHJLSPNRCLOJ-HIFRSBDPSA-N 0 1 273.376 2.753 20 30 CFEDMN C#CCN1CCC(Nc2cncc(-c3ccccc3)n2)CC1 ZINC000895808817 619609677 /nfs/dbraw/zinc/60/96/77/619609677.db2.gz SIVYQVDZOOZQAG-UHFFFAOYSA-N 0 1 292.386 2.653 20 30 CFEDMN CO[C@H]1CC[C@@H](C)N(Cc2cc(C#N)cs2)C1 ZINC000895929445 619637784 /nfs/dbraw/zinc/63/77/84/619637784.db2.gz ZWSRAQFLVHURDY-PWSUYJOCSA-N 0 1 250.367 2.619 20 30 CFEDMN Cc1nnc(CNC(C)(C)Cc2ccc(C#N)cc2)s1 ZINC000896632521 619776563 /nfs/dbraw/zinc/77/65/63/619776563.db2.gz KFUAIQVDWCOGPF-UHFFFAOYSA-N 0 1 286.404 2.829 20 30 CFEDMN Cc1coc(CN2CCC[C@@H](Nc3ccc(C#N)cn3)C2)c1 ZINC000896650805 619783035 /nfs/dbraw/zinc/78/30/35/619783035.db2.gz NBXKLELYENGKNW-OAHLLOKOSA-N 0 1 296.374 2.931 20 30 CFEDMN C#CCN(C(=O)c1cc(-c2cccc(OC)c2)[nH]n1)C(C)C ZINC000928626475 619827300 /nfs/dbraw/zinc/82/73/00/619827300.db2.gz GDALFLINOPBWBV-UHFFFAOYSA-N 0 1 297.358 2.569 20 30 CFEDMN C=CCCCCCCCNC(=O)N1CCN[C@H](C)C1 ZINC000841904541 619843394 /nfs/dbraw/zinc/84/33/94/619843394.db2.gz QZJXWMGQRMZCJR-CQSZACIVSA-N 0 1 267.417 2.516 20 30 CFEDMN C[C@H](CCC#N)CN1CCn2nc(C(C)(C)C)cc2C1 ZINC000896942510 619901604 /nfs/dbraw/zinc/90/16/04/619901604.db2.gz GJTGQOYALOHPIK-CYBMUJFWSA-N 0 1 274.412 2.936 20 30 CFEDMN C#CCSCC(=O)Nc1[nH]nc(-c2ccc(C)o2)c1C ZINC000897081753 619926565 /nfs/dbraw/zinc/92/65/65/619926565.db2.gz HHBXRAWZKZOEEQ-UHFFFAOYSA-N 0 1 289.360 2.591 20 30 CFEDMN C#CCN1CCC(NC(=O)/C(C)=C/c2ccc(C)cc2)CC1 ZINC000928654296 619937185 /nfs/dbraw/zinc/93/71/85/619937185.db2.gz VXHHNFGVMLISBJ-JQIJEIRASA-N 0 1 296.414 2.612 20 30 CFEDMN C=C(Cl)CN(C)C1CCN(C(=O)/C=C\C2CC2)CC1 ZINC000985346930 619962165 /nfs/dbraw/zinc/96/21/65/619962165.db2.gz QPNHCWXRKPMTPG-WAYWQWQTSA-N 0 1 282.815 2.628 20 30 CFEDMN C#CCC1(NCc2cc(C#N)cnc2Cl)CCC1 ZINC000897350873 620013744 /nfs/dbraw/zinc/01/37/44/620013744.db2.gz MQXXQUCOSIPURF-UHFFFAOYSA-N 0 1 259.740 2.642 20 30 CFEDMN C=C(Cl)CN(C)C1CCN(C(=O)C2(CC)CC2)CC1 ZINC000985636262 620015958 /nfs/dbraw/zinc/01/59/58/620015958.db2.gz HNKIBRYZBZDTOA-UHFFFAOYSA-N 0 1 284.831 2.852 20 30 CFEDMN C=C(Cl)CN(C)C1CCN(C(=O)[C@H](C)C(C)C)CC1 ZINC000985683163 620022492 /nfs/dbraw/zinc/02/24/92/620022492.db2.gz QDFQYVXKHYJABZ-CYBMUJFWSA-N 0 1 286.847 2.954 20 30 CFEDMN COC[C@H](N[C@H](C)CC(C)(C)C#N)c1ccco1 ZINC000925207706 620024249 /nfs/dbraw/zinc/02/42/49/620024249.db2.gz YZWMZPMNMYMXEL-NEPJUHHUSA-N 0 1 250.342 2.885 20 30 CFEDMN C=C(Cl)CN[C@@H]1CCN(C(=O)Cc2ccsc2)[C@@H]1C ZINC000985915368 620052133 /nfs/dbraw/zinc/05/21/33/620052133.db2.gz UCMKQLLVWIMQJL-DGCLKSJQSA-N 0 1 298.839 2.622 20 30 CFEDMN C=C(Cl)CN[C@H]1CCN(C(=O)c2cccc(C)c2)[C@@H]1C ZINC000985918569 620052367 /nfs/dbraw/zinc/05/23/67/620052367.db2.gz ZEJBWEFSZTWSBE-HIFRSBDPSA-N 0 1 292.810 2.940 20 30 CFEDMN C=C(Cl)CN[C@@H]1CCN(C(=O)c2oc(C)cc2C)[C@@H]1C ZINC000986125161 620069387 /nfs/dbraw/zinc/06/93/87/620069387.db2.gz RPWUDLOOWJLBEU-CHWSQXEVSA-N 0 1 296.798 2.842 20 30 CFEDMN C=C(Cl)CN[C@@H]1CCN(C(=O)C(F)=C(C)C)[C@H]1C ZINC000986150890 620073681 /nfs/dbraw/zinc/07/36/81/620073681.db2.gz QTBDCCFVVXZHLA-WDEREUQCSA-N 0 1 274.767 2.581 20 30 CFEDMN C=C(C)C[N@@H+]1CCC[C@@H](N(C)C(=O)OC(C)(C)C)C1 ZINC000170652817 620075224 /nfs/dbraw/zinc/07/52/24/620075224.db2.gz XZEFYKORMMZNDT-CYBMUJFWSA-N 0 1 268.401 2.894 20 30 CFEDMN C1CCC(ON=C2CCCN3CCSC[C@H]23)C1 ZINC000872362555 620095411 /nfs/dbraw/zinc/09/54/11/620095411.db2.gz VTEXJZCQDSILGL-CYBMUJFWSA-N 0 1 254.399 2.513 20 30 CFEDMN C=C(Cl)CN[C@@H]1CCN(C(=O)c2occc2CC)[C@@H]1C ZINC000986847527 620100354 /nfs/dbraw/zinc/10/03/54/620100354.db2.gz PNSPHXISXCAQGD-DGCLKSJQSA-N 0 1 296.798 2.787 20 30 CFEDMN C=C(Cl)CN[C@H]1CCN(C(=O)c2ccc(C)cc2)[C@H]1C ZINC000987402249 620133384 /nfs/dbraw/zinc/13/33/84/620133384.db2.gz FBVHRLNBEAAPHJ-ZFWWWQNUSA-N 0 1 292.810 2.940 20 30 CFEDMN C=C(Cl)CN[C@H]1C[C@@H](C)N(C(=O)C2CCCCC2)C1 ZINC000987879687 620157592 /nfs/dbraw/zinc/15/75/92/620157592.db2.gz PTWUYVOFZOROPN-OCCSQVGLSA-N 0 1 284.831 2.898 20 30 CFEDMN C=C(Cl)CN[C@@H]1C[C@H](C)N(C(=O)CC2CCCC2)C1 ZINC000987867322 620158067 /nfs/dbraw/zinc/15/80/67/620158067.db2.gz RWSFQAWGAZKGJO-GXTWGEPZSA-N 0 1 284.831 2.898 20 30 CFEDMN C=C(Cl)CN[C@H]1C[C@@H](C)N(C(=O)CCc2ccco2)C1 ZINC000988047490 620160700 /nfs/dbraw/zinc/16/07/00/620160700.db2.gz GFYDGWOPSHCFGG-OLZOCXBDSA-N 0 1 296.798 2.544 20 30 CFEDMN C=C(Cl)CN[C@@H]1C[C@H](C)N(C(=O)CCC2CC2)C1 ZINC000988404051 620179696 /nfs/dbraw/zinc/17/96/96/620179696.db2.gz LHHCQKMEJHTNKM-WCQYABFASA-N 0 1 270.804 2.508 20 30 CFEDMN C=C(Cl)CN[C@H]1C[C@@H](C)N(C(=O)CCC2CC2)C1 ZINC000988404052 620179706 /nfs/dbraw/zinc/17/97/06/620179706.db2.gz LHHCQKMEJHTNKM-YPMHNXCESA-N 0 1 270.804 2.508 20 30 CFEDMN C=C(Cl)CN[C@H]1C[C@@H](C)N(C(=O)CC2CCC2)C1 ZINC000988482622 620190550 /nfs/dbraw/zinc/19/05/50/620190550.db2.gz UMYTVBNJOYFFHM-YPMHNXCESA-N 0 1 270.804 2.508 20 30 CFEDMN C=C(Cl)CN[C@@H]1C[C@@H](C)N(C(=O)c2oc(C)cc2C)C1 ZINC000988526603 620198031 /nfs/dbraw/zinc/19/80/31/620198031.db2.gz FFJJWEHUGJQXGP-DGCLKSJQSA-N 0 1 296.798 2.842 20 30 CFEDMN Cc1cc(C=NNc2cc(C#N)cc(Cl)n2)sn1 ZINC000785462503 620220867 /nfs/dbraw/zinc/22/08/67/620220867.db2.gz VVJDJPXQGMVXCI-UHFFFAOYSA-N 0 1 277.740 2.818 20 30 CFEDMN C=C(Cl)CN[C@H]1C[C@@H](C)N(C(=O)C2C=CC=CC=C2)C1 ZINC000988905816 620226843 /nfs/dbraw/zinc/22/68/43/620226843.db2.gz QPPDNUZDCVCENJ-HIFRSBDPSA-N 0 1 292.810 2.616 20 30 CFEDMN C=C(Cl)CN[C@@H]1C[C@@H](C)N(C(=O)c2[nH]c(C)cc2C)C1 ZINC000989045096 620230134 /nfs/dbraw/zinc/23/01/34/620230134.db2.gz YTEOIWJXTWVBOR-CHWSQXEVSA-N 0 1 295.814 2.577 20 30 CFEDMN Cc1cc(C#N)cc(C)c1CN1CCOC(C)(C)C1 ZINC000929118556 620241288 /nfs/dbraw/zinc/24/12/88/620241288.db2.gz RAMOKUIKRPAKOO-UHFFFAOYSA-N 0 1 258.365 2.786 20 30 CFEDMN C=C(Cl)CN[C@@H]1C[C@@H](C)N(C(=O)c2cocc2C)C1 ZINC000989291295 620243176 /nfs/dbraw/zinc/24/31/76/620243176.db2.gz NUTBANIKUVCPPH-VXGBXAGGSA-N 0 1 282.771 2.533 20 30 CFEDMN CC(C)(C)N1CC[C@H]1C(=O)N[C@@H]1CCc2cc(C#N)ccc21 ZINC000897594032 620254135 /nfs/dbraw/zinc/25/41/35/620254135.db2.gz LMVJHEPNVARZNW-CVEARBPZSA-N 0 1 297.402 2.535 20 30 CFEDMN Cc1cc(CN2CCC3(CC2)CC(=O)C=CO3)c(C)o1 ZINC000897602148 620256189 /nfs/dbraw/zinc/25/61/89/620256189.db2.gz HDJMVMAXEXSXDX-UHFFFAOYSA-N 0 1 275.348 2.734 20 30 CFEDMN C=C(Cl)CN[C@H]1C[C@H](C)N(C(=O)c2occc2CC)C1 ZINC000989413613 620260520 /nfs/dbraw/zinc/26/05/20/620260520.db2.gz KOAPJJLPXCRFPY-AAEUAGOBSA-N 0 1 296.798 2.787 20 30 CFEDMN C[C@H](NCc1nc(C#N)cs1)[C@H]1COc2ccccc2C1 ZINC000897626052 620262578 /nfs/dbraw/zinc/26/25/78/620262578.db2.gz LFKYSOQLBHWNCR-WCQYABFASA-N 0 1 299.399 2.744 20 30 CFEDMN Cn1nc(CN[C@@H]2CCC[C@@H](C#N)C2)cc1C(F)(F)F ZINC000898021500 620324247 /nfs/dbraw/zinc/32/42/47/620324247.db2.gz JGIVLJUIPPDMRL-NXEZZACHSA-N 0 1 286.301 2.611 20 30 CFEDMN N#Cc1ccc(CN2CC(Cc3ccoc3)C2)cc1 ZINC000898162383 620341197 /nfs/dbraw/zinc/34/11/97/620341197.db2.gz RGIDFKWSNXFHBV-UHFFFAOYSA-N 0 1 252.317 2.826 20 30 CFEDMN C#CCOc1cccc(Cl)c1CNCC[C@@H](O)C1CC1 ZINC000898203844 620344636 /nfs/dbraw/zinc/34/46/36/620344636.db2.gz KAKQAIVMXPRUHN-OAHLLOKOSA-N 0 1 293.794 2.603 20 30 CFEDMN Cc1sccc1CC(=O)Nc1cc(C#N)ccc1O ZINC000787154817 620379930 /nfs/dbraw/zinc/37/99/30/620379930.db2.gz LIMIJUKZBHHTKD-UHFFFAOYSA-N 0 1 272.329 2.815 20 30 CFEDMN C=CCN1CCCN(C(=O)[C@@H](C)c2ccccc2C)CC1 ZINC000989719839 620387792 /nfs/dbraw/zinc/38/77/92/620387792.db2.gz MXXHPXGHDCMXKL-INIZCTEOSA-N 0 1 286.419 2.819 20 30 CFEDMN C=C(C)CN1CCCN(C(=O)[C@H]2CC3CCC2CC3)CC1 ZINC000989747131 620388867 /nfs/dbraw/zinc/38/88/67/620388867.db2.gz IYMKRFSPLYFEPK-JCYILVPMSA-N 0 1 290.451 2.923 20 30 CFEDMN CCC(=O)N[C@]12CCC[C@H]1[N@@H+](Cc1ccc(C#N)cc1)CC2 ZINC000989870803 620396854 /nfs/dbraw/zinc/39/68/54/620396854.db2.gz OISPFTNGPJUJMH-AEFFLSMTSA-N 0 1 297.402 2.581 20 30 CFEDMN C=CCN1CC[C@@]2(NC(=O)c3cccs3)CCC[C@H]12 ZINC000989924688 620402701 /nfs/dbraw/zinc/40/27/01/620402701.db2.gz BEAGWXPDKURNSD-ZFWWWQNUSA-N 0 1 276.405 2.661 20 30 CFEDMN Cc1cc(C#N)ccc1COC(=O)[C@H]1CCCN1C(C)C ZINC000923888944 620430210 /nfs/dbraw/zinc/43/02/10/620430210.db2.gz ONZOSPMLDICIPA-MRXNPFEDSA-N 0 1 286.375 2.783 20 30 CFEDMN N#Cc1cc(NC(=O)[C@@H]2C[C@H]2c2cnc[nH]2)ccc1C1CC1 ZINC000899224124 620534915 /nfs/dbraw/zinc/53/49/15/620534915.db2.gz UWZMTAXZTJAGSK-HUUCEWRRSA-N 0 1 292.342 2.901 20 30 CFEDMN CC(C)N(Cc1cn(CC2(CC#N)CC2)nn1)C(C)C ZINC000899713113 620594390 /nfs/dbraw/zinc/59/43/90/620594390.db2.gz YEROLIJOIVAPQX-UHFFFAOYSA-N 0 1 275.400 2.591 20 30 CFEDMN C#Cc1ccc(C[N@@H+]2CC[C@](C(=O)[O-])(C(C)C)C2)cc1 ZINC000901465296 620830787 /nfs/dbraw/zinc/83/07/87/620830787.db2.gz VZDHLEZHUDREKN-QGZVFWFLSA-N 0 1 271.360 2.601 20 30 CFEDMN C=CC[N@H+](CC(=O)[O-])Cc1ccccc1CC(F)(F)F ZINC000901586834 620863081 /nfs/dbraw/zinc/86/30/81/620863081.db2.gz UDNSSQNKEDLGPE-UHFFFAOYSA-N 0 1 287.281 2.864 20 30 CFEDMN C=CC[N@@H+](CC(=O)[O-])C[C@H](C)c1ccc(F)cc1 ZINC000901585619 620869759 /nfs/dbraw/zinc/86/97/59/620869759.db2.gz BBXGPLOUMGRFLK-NSHDSACASA-N 0 1 251.301 2.502 20 30 CFEDMN C#CCCCCCC[N@@H+]1CCC[C@](C)(C(=O)[O-])C1 ZINC000901695294 620897201 /nfs/dbraw/zinc/89/72/01/620897201.db2.gz JWXPVJPBPJEWIS-HNNXBMFYSA-N 0 1 251.370 2.757 20 30 CFEDMN N#CCC[C@H](C#N)CNCCCOc1cccc(F)c1 ZINC000901706686 620903051 /nfs/dbraw/zinc/90/30/51/620903051.db2.gz OIYRPRBHWLWNSD-CYBMUJFWSA-N 0 1 275.327 2.628 20 30 CFEDMN C#Cc1ccc(C[N@@H+]2CC[C@@](C(=O)[O-])(C(F)(F)F)C2)cc1 ZINC000901785936 620915163 /nfs/dbraw/zinc/91/51/63/620915163.db2.gz IFFWGVTZYNIGTG-CQSZACIVSA-N 0 1 297.276 2.507 20 30 CFEDMN C=CCOc1ccc(C[N@H+](CCC(=O)[O-])C2CC2)cc1 ZINC000901970703 620947505 /nfs/dbraw/zinc/94/75/05/620947505.db2.gz ARAZDNKLWCVPNO-UHFFFAOYSA-N 0 1 275.348 2.691 20 30 CFEDMN C#CCCCCCC[N@H+](C[C@@H](C)C(=O)[O-])C1CC1 ZINC000901992144 620950618 /nfs/dbraw/zinc/95/06/18/620950618.db2.gz GWFAGHYPIYPGOC-CYBMUJFWSA-N 0 1 251.370 2.755 20 30 CFEDMN C#CCCCCCC[N@@H+]1CC[C@@H](C)C[C@H]1C(=O)[O-] ZINC000902012628 620958167 /nfs/dbraw/zinc/95/81/67/620958167.db2.gz SHCJKWAQYAENPL-KGLIPLIRSA-N 0 1 251.370 2.755 20 30 CFEDMN C#CCCCCCC[N@H+](CC(=O)[O-])C1CCCC1 ZINC000902038747 620961757 /nfs/dbraw/zinc/96/17/57/620961757.db2.gz PLCAUCZXYINPLR-UHFFFAOYSA-N 0 1 251.370 2.899 20 30 CFEDMN C=C[C@@H]1CCCC[N@@H+]1Cc1ccc(OCC(=O)[O-])cc1 ZINC000902544189 621116158 /nfs/dbraw/zinc/11/61/58/621116158.db2.gz CDMABSPLEXMOKG-CQSZACIVSA-N 0 1 275.348 2.691 20 30 CFEDMN C=CCCCN(CC)Cn1nc(C(=O)OC)c(Cl)c1C ZINC000902669027 621148818 /nfs/dbraw/zinc/14/88/18/621148818.db2.gz HTHRQPSJLIKKQR-UHFFFAOYSA-N 0 1 299.802 2.877 20 30 CFEDMN C[C@@H](NC[C@@H](c1ccccc1)[NH+](C)C)c1cc(C#N)ccn1 ZINC000902724873 621158395 /nfs/dbraw/zinc/15/83/95/621158395.db2.gz KYHPDNZDTDJEOB-KDOFPFPSSA-N 0 1 294.402 2.907 20 30 CFEDMN C[C@H](NCCOC1CCCCC1)c1cc(C#N)ccn1 ZINC000902777345 621171182 /nfs/dbraw/zinc/17/11/82/621171182.db2.gz VZGVTNTZFQDXCS-ZDUSSCGKSA-N 0 1 273.380 2.953 20 30 CFEDMN CC[C@H](NCc1ccnc(N(C)C)n1)c1cccc(C#N)c1 ZINC000902895684 621201630 /nfs/dbraw/zinc/20/16/30/621201630.db2.gz CIIIPONJIDESTC-INIZCTEOSA-N 0 1 295.390 2.655 20 30 CFEDMN C=CCC[C@H](NCc1nonc1C)[C@]1(C)CCCCO1 ZINC000903086251 621247220 /nfs/dbraw/zinc/24/72/20/621247220.db2.gz FAZIQAWOEHMQBC-GJZGRUSLSA-N 0 1 279.384 2.762 20 30 CFEDMN Cc1ccc(O)c([C@H](C)NCc2nc(C#N)cs2)c1 ZINC000903264287 621304941 /nfs/dbraw/zinc/30/49/41/621304941.db2.gz SBLFSWCAHGCHMT-JTQLQIEISA-N 0 1 273.361 2.880 20 30 CFEDMN Cc1cc(C#N)cc(C)c1C[N@@H+]1CCC[C@H](C)[C@H]1C(=O)[O-] ZINC000903408055 621363312 /nfs/dbraw/zinc/36/33/12/621363312.db2.gz NNZDAQPDEZHGJO-ZBEGNZNMSA-N 0 1 286.375 2.860 20 30 CFEDMN C=CC[C@@H](C)[N@H+]1CC[C@@](C(=O)[O-])(c2ccccc2)C1 ZINC000903604558 621400934 /nfs/dbraw/zinc/40/09/34/621400934.db2.gz ZSFYSEUAIBDKLC-CJNGLKHVSA-N 0 1 259.349 2.679 20 30 CFEDMN C=CC[N@@H+](CC(=O)[O-])Cc1ccccc1CC(C)C ZINC000903595551 621403977 /nfs/dbraw/zinc/40/39/77/621403977.db2.gz FMNKDOCETHFEAS-UHFFFAOYSA-N 0 1 261.365 2.958 20 30 CFEDMN C[C@]1(C(=O)[O-])CC[N@@H+](CCCCC2(C#N)CCC2)C1 ZINC000903700844 621421134 /nfs/dbraw/zinc/42/11/34/621421134.db2.gz HZLVGAWHBFGORE-AWEZNQCLSA-N 0 1 264.369 2.647 20 30 CFEDMN CC(C)[N@@H+](CCCCC1(C#N)CCC1)CC(=O)[O-] ZINC000903701251 621421338 /nfs/dbraw/zinc/42/13/38/621421338.db2.gz NIFHQSUIKWUOTD-UHFFFAOYSA-N 0 1 252.358 2.646 20 30 CFEDMN C=C(C)CC[N@H+]1CC[C@H](c2ncc(C(=O)[O-])s2)C1 ZINC000903925418 621474054 /nfs/dbraw/zinc/47/40/54/621474054.db2.gz VJCUTQFNXTYKAG-JTQLQIEISA-N 0 1 266.366 2.597 20 30 CFEDMN C=C(CC)C[N@H+]1CC[C@H](c2ncc(C(=O)[O-])s2)C1 ZINC000903923739 621474077 /nfs/dbraw/zinc/47/40/77/621474077.db2.gz ATROLNUJDXJCHB-JTQLQIEISA-N 0 1 266.366 2.597 20 30 CFEDMN C=CCCCC[N@H+]1CCOc2ccccc2[C@@H]1C(=O)[O-] ZINC000903927666 621475153 /nfs/dbraw/zinc/47/51/53/621475153.db2.gz KZLLVWHYXIKEQY-OAHLLOKOSA-N 0 1 275.348 2.863 20 30 CFEDMN C=CCCCC[N@H+]1CCOc2ccccc2[C@H]1C(=O)[O-] ZINC000903927665 621475340 /nfs/dbraw/zinc/47/53/40/621475340.db2.gz KZLLVWHYXIKEQY-HNNXBMFYSA-N 0 1 275.348 2.863 20 30 CFEDMN CN1CCC[C@H]1C(=O)N(O)Cc1cccc2ccccc21 ZINC000904173093 621541803 /nfs/dbraw/zinc/54/18/03/621541803.db2.gz NAGVJHYUUPQODB-INIZCTEOSA-N 0 1 284.359 2.652 20 30 CFEDMN C=C(Br)CN1CCC[C@@H](COC)CC1 ZINC000832739088 625502401 /nfs/dbraw/zinc/50/24/01/625502401.db2.gz NZADUERTXBJHLC-LLVKDONJSA-N 0 1 262.191 2.644 20 30 CFEDMN C=C(Br)CN1CCC[C@H](COC)CC1 ZINC000832739089 625502805 /nfs/dbraw/zinc/50/28/05/625502805.db2.gz NZADUERTXBJHLC-NSHDSACASA-N 0 1 262.191 2.644 20 30 CFEDMN Cc1cc(/C=C\C(=O)c2cccc(CN(C)C)c2)n(C)n1 ZINC000905078192 621690260 /nfs/dbraw/zinc/69/02/60/621690260.db2.gz NHTKSEBCNSUYNJ-HJWRWDBZSA-N 0 1 283.375 2.686 20 30 CFEDMN Cc1cnn(C)c1/C=C/C(=O)c1cccc(CN(C)C)c1 ZINC000905078353 621690270 /nfs/dbraw/zinc/69/02/70/621690270.db2.gz PRALQJKUGJGSKE-CMDGGOBGSA-N 0 1 283.375 2.686 20 30 CFEDMN C[C@@]1(CNC[C@@H](C#N)CCC#N)OCCc2ccccc21 ZINC000905801830 621867319 /nfs/dbraw/zinc/86/73/19/621867319.db2.gz NLZMITRSQMZRIJ-PBHICJAKSA-N 0 1 283.375 2.508 20 30 CFEDMN C=CCCc1ccc(-c2cnc(CNC)nc2)cc1 ZINC000906175180 621944672 /nfs/dbraw/zinc/94/46/72/621944672.db2.gz RCARAUOTLGMLJU-UHFFFAOYSA-N 0 1 253.349 2.982 20 30 CFEDMN C=C(C)[C@@H]1OCC[C@@H]1C(=O)Nc1cc2cn[nH]c2cc1C ZINC000907693800 622153560 /nfs/dbraw/zinc/15/35/60/622153560.db2.gz JVOHNMQUDLJWCE-WFASDCNBSA-N 0 1 285.347 2.791 20 30 CFEDMN Cc1ccc(-c2cc(C(=O)OCC3(C#N)CCC3)[nH]n2)o1 ZINC000183894580 625555313 /nfs/dbraw/zinc/55/53/13/625555313.db2.gz WMIOBLMDINJDFZ-UHFFFAOYSA-N 0 1 285.303 2.829 20 30 CFEDMN C=C[C@@H](C)ONC(=O)Cc1sc(C2CCC2)nc1C ZINC000911902825 622578962 /nfs/dbraw/zinc/57/89/62/622578962.db2.gz HOUPWQXKLCCPAF-SECBINFHSA-N 0 1 280.393 2.884 20 30 CFEDMN C#CCCCCC(=O)n1[nH]c(=O)c2ccc(OC)cc21 ZINC000819961139 622586252 /nfs/dbraw/zinc/58/62/52/622586252.db2.gz CNGQZWYTRDKPFP-UHFFFAOYSA-N 0 1 272.304 2.584 20 30 CFEDMN CCC(C)(C)N1CCN(C(=O)c2ccsc2C#N)CC1 ZINC000912053319 622620421 /nfs/dbraw/zinc/62/04/21/622620421.db2.gz ZJSKYUUDPURRHI-UHFFFAOYSA-N 0 1 291.420 2.566 20 30 CFEDMN C=CCCCCCNC(=O)c1cccc2nc(CO)[nH]c21 ZINC000912050625 622620090 /nfs/dbraw/zinc/62/00/90/622620090.db2.gz WWTYTTZNVMNIQJ-UHFFFAOYSA-N 0 1 287.363 2.531 20 30 CFEDMN C#C[C@H](C)NC(=O)N1CCC[C@@H]1c1nc2ccc(C)cc2[nH]1 ZINC000820430075 622672336 /nfs/dbraw/zinc/67/23/36/622672336.db2.gz ZJERFJBCRGVZNO-SWLSCSKDSA-N 0 1 296.374 2.740 20 30 CFEDMN N#CC(=C(O)C=C[C@@H]1CCCO1)c1cnc2ccccc2n1 ZINC000820853563 622775012 /nfs/dbraw/zinc/77/50/12/622775012.db2.gz XLPZVJYIHMPHLL-YHQHFJRFSA-N 0 1 293.326 2.541 20 30 CFEDMN N#CC(C(=O)C=C[C@@H]1CCCO1)c1cnc2ccccc2n1 ZINC000820853563 622775014 /nfs/dbraw/zinc/77/50/14/622775014.db2.gz XLPZVJYIHMPHLL-YHQHFJRFSA-N 0 1 293.326 2.541 20 30 CFEDMN C=CC[C@@H]1CCN(C(=O)[C@H]2C[C@@H](C)Cc3c[nH]nc32)C1 ZINC000912982590 622812316 /nfs/dbraw/zinc/81/23/16/622812316.db2.gz LZVFPDFGRCWOMP-SCRDCRAPSA-N 0 1 273.380 2.500 20 30 CFEDMN CN(C)CC#CCNC(=O)CCCc1ccc(C2CC2)cc1 ZINC000913525057 622910236 /nfs/dbraw/zinc/91/02/36/622910236.db2.gz IMDMJBLPSXBXCG-UHFFFAOYSA-N 0 1 298.430 2.568 20 30 CFEDMN C=CCCC(=O)N1CCc2nc[nH]c2[C@@H]1c1ccccc1 ZINC000913513735 622910802 /nfs/dbraw/zinc/91/08/02/622910802.db2.gz SLUGQMQPBNUTDV-KRWDZBQOSA-N 0 1 281.359 2.850 20 30 CFEDMN CCCCCCNC(=O)C(C#N)C(=O)[C@@H](CC)SC ZINC000156440616 622941240 /nfs/dbraw/zinc/94/12/40/622941240.db2.gz WVCKGIILQFFNBG-VXGBXAGGSA-N 0 1 284.425 2.533 20 30 CFEDMN CCCCCCCC(=O)N1CCN(CC)[C@H](C)C1 ZINC000165021728 622978665 /nfs/dbraw/zinc/97/86/65/622978665.db2.gz DZHCBLNIQOIQNY-CQSZACIVSA-N 0 1 254.418 2.900 20 30 CFEDMN C=C[C@H](C)[NH2+]Cc1cc(Br)ccc1[O-] ZINC000165867183 622997862 /nfs/dbraw/zinc/99/78/62/622997862.db2.gz MCLOSZIMGKOLMT-QMMMGPOBSA-N 0 1 256.143 2.819 20 30 CFEDMN CC(C)[C@@H](C(=O)O[C@@H](C#N)C1CCCCC1)N(C)C ZINC000803696376 623020628 /nfs/dbraw/zinc/02/06/28/623020628.db2.gz ALJMSTDUXGZSKX-KBPBESRZSA-N 0 1 266.385 2.588 20 30 CFEDMN N#CCOc1ccc(CNCc2cccc3c2OCO3)cc1 ZINC000058065154 623029536 /nfs/dbraw/zinc/02/95/36/623029536.db2.gz NNDLWDCHMOLMGL-UHFFFAOYSA-N 0 1 296.326 2.607 20 30 CFEDMN C=CC[N@H+](CC(=O)[O-])Cc1ccc(F)cc1C(F)(F)F ZINC000167664616 623062322 /nfs/dbraw/zinc/06/23/22/623062322.db2.gz AJPSJGRASGWWRU-UHFFFAOYSA-N 0 1 291.244 2.917 20 30 CFEDMN C=CCCCN(C)[C@H](C)C(=O)Nc1cccnc1Cl ZINC000076737225 623118118 /nfs/dbraw/zinc/11/81/18/623118118.db2.gz ZSJBAROERPXEGS-LLVKDONJSA-N 0 1 281.787 2.960 20 30 CFEDMN CCN(Cc1cc2c(cc1O)CCC2)C[C@H](C)C#N ZINC000171065564 623202797 /nfs/dbraw/zinc/20/27/97/623202797.db2.gz BIYCAJBXGAHUPJ-GFCCVEGCSA-N 0 1 258.365 2.862 20 30 CFEDMN C#C[C@H](CC)[NH2+]Cc1cc(Br)ccc1[O-] ZINC000229880069 623230323 /nfs/dbraw/zinc/23/03/23/623230323.db2.gz ISMSEYQSMPDFOE-LLVKDONJSA-N 0 1 268.154 2.656 20 30 CFEDMN COc1ccc(NC(=O)C(C#N)C(=O)[C@H](C)C(C)C)cc1 ZINC000172021527 623254262 /nfs/dbraw/zinc/25/42/62/623254262.db2.gz CEPPGPPAHXZAQS-RISCZKNCSA-N 0 1 288.347 2.635 20 30 CFEDMN C#CCOc1ccc(CNCc2ccc(C#N)cc2F)cc1 ZINC000172119814 623262036 /nfs/dbraw/zinc/26/20/36/623262036.db2.gz AQXUZILEZIXRCQ-UHFFFAOYSA-N 0 1 294.329 2.999 20 30 CFEDMN N#Cc1ccc2ncc(CNCc3ccc(Cl)nc3)n2c1 ZINC000172338837 623277204 /nfs/dbraw/zinc/27/72/04/623277204.db2.gz OEMRKCYFWBVKPN-UHFFFAOYSA-N 0 1 297.749 2.544 20 30 CFEDMN COC(=O)/C(C)=C/CN(C)[C@@H](C)c1cccc(C#N)c1 ZINC000823617533 623361760 /nfs/dbraw/zinc/36/17/60/623361760.db2.gz JZOWVLJXUWSCHW-RPHSKFLZSA-N 0 1 272.348 2.670 20 30 CFEDMN CCCCC[C@@H](C)CC(=O)[C@@H](C#N)C(=O)NC1CC1 ZINC000173973450 623378388 /nfs/dbraw/zinc/37/83/88/623378388.db2.gz QFHHOMRDTLLOMW-DGCLKSJQSA-N 0 1 264.369 2.580 20 30 CFEDMN CCCCC[C@@H](C)CC(=O)[C@@H](C#N)C(=O)NC(C)C ZINC000173981769 623378767 /nfs/dbraw/zinc/37/87/67/623378767.db2.gz LSHOCDSEHMEXAB-CHWSQXEVSA-N 0 1 266.385 2.826 20 30 CFEDMN CCC[C@H](C)C(=O)C(C#N)C(=O)Nc1ccccc1OC ZINC000173977521 623378956 /nfs/dbraw/zinc/37/89/56/623378956.db2.gz LDQSXOCDTUADJP-RYUDHWBXSA-N 0 1 288.347 2.779 20 30 CFEDMN CCCCC[C@H](C)CC(=O)[C@@H](C#N)C(=O)NC(C)C ZINC000173981778 623379493 /nfs/dbraw/zinc/37/94/93/623379493.db2.gz LSHOCDSEHMEXAB-QWHCGFSZSA-N 0 1 266.385 2.826 20 30 CFEDMN C#CCN1CC[C@@]2(NC(=O)c3ccoc3C3CC3)CCC[C@H]12 ZINC000992140489 623467235 /nfs/dbraw/zinc/46/72/35/623467235.db2.gz WDCLRSYHANFJLF-YJBOKZPZSA-N 0 1 298.386 2.517 20 30 CFEDMN C=CCCCC[C@@H](C)N[C@H](C)c1nnnn1C1CC1 ZINC000824281767 623482837 /nfs/dbraw/zinc/48/28/37/623482837.db2.gz JSRATDOFFQUTOB-VXGBXAGGSA-N 0 1 263.389 2.794 20 30 CFEDMN CC(=NNC12CC(C1)C2)c1ccc(F)cc1N(C)C ZINC000842545764 623522140 /nfs/dbraw/zinc/52/21/40/623522140.db2.gz MTSADRXFWCJTLJ-UHFFFAOYSA-N 0 1 261.344 2.758 20 30 CFEDMN C#CC[N@H+]1CC[C@]2(NC(=O)[C@H](C)C3CCCC3)CCC[C@@H]12 ZINC000992403188 623532375 /nfs/dbraw/zinc/53/23/75/623532375.db2.gz JUKPPVZGFPTTQV-QGPMSJSTSA-N 0 1 288.435 2.559 20 30 CFEDMN C[C@@H]1CC[C@H](CC(=O)[C@@H](C#N)C(=O)NC2CCCCC2)C1 ZINC000151593019 623536176 /nfs/dbraw/zinc/53/61/76/623536176.db2.gz JICIAWXMQAKCHD-VNHYZAJKSA-N 0 1 290.407 2.970 20 30 CFEDMN N#CC1CCN(Cc2ccc(C3(C#N)CC3)cc2)CC1 ZINC000824645645 623538839 /nfs/dbraw/zinc/53/88/39/623538839.db2.gz NNJQWQPMWMKNPI-UHFFFAOYSA-N 0 1 265.360 2.977 20 30 CFEDMN C=CCCNC(=O)c1ccc(CN2CCCCC2)o1 ZINC000824909676 623585923 /nfs/dbraw/zinc/58/59/23/623585923.db2.gz ILXSWFCEWJVNQW-UHFFFAOYSA-N 0 1 262.353 2.571 20 30 CFEDMN C#CCN1CC[C@]2(NC(=O)c3ccc(CC)cc3)CCC[C@H]12 ZINC000992474344 623593783 /nfs/dbraw/zinc/59/37/83/623593783.db2.gz ACLZOKUCSCQICC-PKOBYXMFSA-N 0 1 296.414 2.609 20 30 CFEDMN C#Cc1cccc(CNCc2cn(C)nc2C(F)F)c1 ZINC000825226439 623654246 /nfs/dbraw/zinc/65/42/46/623654246.db2.gz HESWEHUKALLMBW-UHFFFAOYSA-N 0 1 275.302 2.629 20 30 CFEDMN C=CCCC(=O)N1CCc2nc[nH]c2[C@H]1c1ccc(F)cc1 ZINC000914032235 623677455 /nfs/dbraw/zinc/67/74/55/623677455.db2.gz UNWBZGODSBDJBZ-QGZVFWFLSA-N 0 1 299.349 2.989 20 30 CFEDMN CC1(C)CCC(CC(=O)[C@@H](C#N)C(=O)NC2CC2)CC1 ZINC000152344487 623684644 /nfs/dbraw/zinc/68/46/44/623684644.db2.gz SQAMXFVDYFNUTE-CYBMUJFWSA-N 0 1 276.380 2.580 20 30 CFEDMN CC(C)NC(=O)[C@H](C#N)C(=O)C[C@@H]1CCCCC1(C)C ZINC000152371854 623688859 /nfs/dbraw/zinc/68/88/59/623688859.db2.gz PRUAVISMKHBFOM-QWHCGFSZSA-N 0 1 278.396 2.826 20 30 CFEDMN C=CCCONC(=O)c1ccc(CN2CCCCC2)o1 ZINC000825557081 623715045 /nfs/dbraw/zinc/71/50/45/623715045.db2.gz WGGDJONKSABMPG-UHFFFAOYSA-N 0 1 278.352 2.503 20 30 CFEDMN CCn1nnc(C)c1/C=C\C(=O)c1ccc(C)cc1O ZINC000834430638 625675324 /nfs/dbraw/zinc/67/53/24/625675324.db2.gz UPKHKIXURMVIAR-FPLPWBNLSA-N 0 1 271.320 2.517 20 30 CFEDMN C=C(Cl)CN[C@@H]1CN(C(=O)c2cccs2)CC1(C)C ZINC000995384203 625676359 /nfs/dbraw/zinc/67/63/59/625676359.db2.gz NJLLPYOOEGTHMP-GFCCVEGCSA-N 0 1 298.839 2.941 20 30 CFEDMN CC#CCN1CCC[C@H](NC(=O)CC2CCCC2)[C@@H]1C ZINC000992990094 623833002 /nfs/dbraw/zinc/83/30/02/623833002.db2.gz XKWCMIWVQAOADV-HOCLYGCPSA-N 0 1 276.424 2.559 20 30 CFEDMN C#CCOc1cccc(Cl)c1CN(C)Cc1cnc[nH]1 ZINC000826769792 623869546 /nfs/dbraw/zinc/86/95/46/623869546.db2.gz RNKOMHAVOUJUJU-UHFFFAOYSA-N 0 1 289.766 2.707 20 30 CFEDMN C[C@H](CC#N)N(C)C[C@@H]1CC[C@H](NC(=O)OC(C)(C)C)C1 ZINC000929833489 623884622 /nfs/dbraw/zinc/88/46/22/623884622.db2.gz YZEUFJIXISMPNN-MCIONIFRSA-N 0 1 295.427 2.914 20 30 CFEDMN C=C(C)CC[N@@H+]1CCC[C@H](NC(=O)c2cncs2)[C@@H]1C ZINC000993076807 623894025 /nfs/dbraw/zinc/89/40/25/623894025.db2.gz GQZSBWDUMRCBDL-STQMWFEESA-N 0 1 293.436 2.692 20 30 CFEDMN C=C(C)CC[N@@H+]1CCC[C@H](NC(=O)c2cncs2)[C@H]1C ZINC000993076799 623895271 /nfs/dbraw/zinc/89/52/71/623895271.db2.gz GQZSBWDUMRCBDL-OLZOCXBDSA-N 0 1 293.436 2.692 20 30 CFEDMN CCC(CC)CNN=C1CCCc2nc(N)ccc21 ZINC000834972524 623914334 /nfs/dbraw/zinc/91/43/34/623914334.db2.gz PCGOEHYSGYCUNY-UHFFFAOYSA-N 0 1 260.385 2.730 20 30 CFEDMN CCCCCCCC(=O)NCCCN1C[C@H](C)O[C@@H](C)C1 ZINC000914833969 623944351 /nfs/dbraw/zinc/94/43/51/623944351.db2.gz RNFMVDYMCCXLPR-HOTGVXAUSA-N 0 1 298.471 2.962 20 30 CFEDMN N#CC(C(=O)Nc1ccc(Cl)cc1)C(=O)c1ccco1 ZINC000193390837 623992747 /nfs/dbraw/zinc/99/27/47/623992747.db2.gz IFTYSYNQWXJKEZ-NSHDSACASA-N 0 1 288.690 2.894 20 30 CFEDMN C#C[C@@H](NCc1ccnc(Cl)c1Cl)C1CCOCC1 ZINC000827560541 624032430 /nfs/dbraw/zinc/03/24/30/624032430.db2.gz RLOZERMKKLVLOC-GFCCVEGCSA-N 0 1 299.201 2.906 20 30 CFEDMN C[C@@]1(C#N)CCN(Cc2cc(Cl)c(F)cc2O)C1 ZINC000827650836 624051204 /nfs/dbraw/zinc/05/12/04/624051204.db2.gz VYQIKOQCNURHPF-ZDUSSCGKSA-N 0 1 268.719 2.920 20 30 CFEDMN CC#CCN1CCC[C@H](NC(=O)c2ccsc2C)[C@H]1C ZINC000993308227 624074527 /nfs/dbraw/zinc/07/45/27/624074527.db2.gz ALAYEJOPNLXUDE-DOMZBBRYSA-N 0 1 290.432 2.663 20 30 CFEDMN C=CCN1CCC[C@H](NC(=O)c2ccsc2C)[C@H]1C ZINC000993323042 624096780 /nfs/dbraw/zinc/09/67/80/624096780.db2.gz FDDQXFWFWDSYJR-RISCZKNCSA-N 0 1 278.421 2.825 20 30 CFEDMN C#CCCN(CCOC)Cc1ccc([C@@H]2C[C@H]2C)o1 ZINC000827823590 624103630 /nfs/dbraw/zinc/10/36/30/624103630.db2.gz QQSZUQOQXMSTAO-UKRRQHHQSA-N 0 1 261.365 2.875 20 30 CFEDMN CC1(/C=C/C(=O)Nc2cc(C#N)ccc2O)CCOCC1 ZINC000827830329 624105084 /nfs/dbraw/zinc/10/50/84/624105084.db2.gz XCNFJJUPFOXKPL-SNAWJCMRSA-N 0 1 286.331 2.575 20 30 CFEDMN C=CCN1CCC[C@@H](NC(=O)c2cc3cnccc3o2)[C@H]1C ZINC000993537301 624151026 /nfs/dbraw/zinc/15/10/26/624151026.db2.gz NCPGFPWNVYMMJH-TZMCWYRMSA-N 0 1 299.374 2.597 20 30 CFEDMN C#CCN1CCC[C@H](NC(=O)c2ccccc2CCC)[C@H]1C ZINC000993561370 624151726 /nfs/dbraw/zinc/15/17/26/624151726.db2.gz KGJBZLIEVRWSAH-QAPCUYQASA-N 0 1 298.430 2.855 20 30 CFEDMN C#CCCOc1ccc(CN2CCCc3n[nH]cc3C2)cc1 ZINC000828013984 624152964 /nfs/dbraw/zinc/15/29/64/624152964.db2.gz QFDAXQKUJZFGRO-UHFFFAOYSA-N 0 1 295.386 2.760 20 30 CFEDMN CC#CCN1CCC[C@H](NC(=O)C(C)(C)C2CCC2)[C@H]1C ZINC000993636292 624155106 /nfs/dbraw/zinc/15/51/06/624155106.db2.gz OYXVRKJCZBLFMI-ZBFHGGJFSA-N 0 1 290.451 2.805 20 30 CFEDMN C#CCN1CCC[C@H](NC(=O)C2CCC3(CC3)CC2)[C@@H]1C ZINC000993629134 624156525 /nfs/dbraw/zinc/15/65/25/624156525.db2.gz YWOCMWDMUNFNDM-HOCLYGCPSA-N 0 1 288.435 2.559 20 30 CFEDMN C=CCN1CCC[C@@H](NC(=O)C2CC3(CCC3)C2)[C@@H]1C ZINC000993676729 624157743 /nfs/dbraw/zinc/15/77/43/624157743.db2.gz SNGGPWBRAKPYMM-DZGCQCFKSA-N 0 1 276.424 2.722 20 30 CFEDMN CC#CCN1CCC[C@@H](NC(=O)c2ccccc2CC)[C@@H]1C ZINC000993726672 624161192 /nfs/dbraw/zinc/16/11/92/624161192.db2.gz JPGBAWYUZLDVEH-MAUKXSAKSA-N 0 1 298.430 2.855 20 30 CFEDMN CC#CCN1CCC[C@@H](NC(=O)C2(C)CCCCC2)[C@@H]1C ZINC000993748282 624164788 /nfs/dbraw/zinc/16/47/88/624164788.db2.gz XZDUSSDIRREEEN-JKSUJKDBSA-N 0 1 290.451 2.949 20 30 CFEDMN CC#CCN1CCC[C@@H](NC(=O)c2c(C)cccc2C)[C@H]1C ZINC000993862496 624171116 /nfs/dbraw/zinc/17/11/16/624171116.db2.gz QLVGACXCUQDXBB-IAGOWNOFSA-N 0 1 298.430 2.909 20 30 CFEDMN C#CCN1CCC[C@H](NC(=O)CC2CCCCCC2)[C@@H]1C ZINC000993885419 624172640 /nfs/dbraw/zinc/17/26/40/624172640.db2.gz IADKMHMBQFSZIW-RDJZCZTQSA-N 0 1 290.451 2.949 20 30 CFEDMN C=CCN1CCC[C@H](NC(=O)c2c[nH]cc2C2CC2)[C@H]1C ZINC000994132460 624180375 /nfs/dbraw/zinc/18/03/75/624180375.db2.gz GRUURZNZUMOPMW-WBMJQRKESA-N 0 1 287.407 2.661 20 30 CFEDMN Fc1ccc(F)c(C=NNc2ccc(Cl)nn2)c1 ZINC000915940039 624194869 /nfs/dbraw/zinc/19/48/69/624194869.db2.gz VGDZIEHOEJEIJS-UHFFFAOYSA-N 0 1 268.654 2.854 20 30 CFEDMN CCCCNN=C(C)c1ccc(N2CCOCC2)c(F)c1 ZINC000915966645 624195905 /nfs/dbraw/zinc/19/59/05/624195905.db2.gz ZNSOZPXGSZSOGK-UHFFFAOYSA-N 0 1 293.386 2.776 20 30 CFEDMN Cc1cc(N=NC2CCN(Cc3ccccc3)C2)nc(C)n1 ZINC000915968232 624195923 /nfs/dbraw/zinc/19/59/23/624195923.db2.gz VFSIXYWBINMQOU-UHFFFAOYSA-N 0 1 295.390 2.767 20 30 CFEDMN O=[N+]([O-])c1cc(Cl)ccc1N=NC1CN2CCC1CC2 ZINC000915976146 624199940 /nfs/dbraw/zinc/19/99/40/624199940.db2.gz FBPXNZAHGWWPNS-UHFFFAOYSA-N 0 1 294.742 2.742 20 30 CFEDMN Cc1cc(C2CCN(C(=O)C#Cc3cccs3)CC2)n[nH]1 ZINC000828365583 624234881 /nfs/dbraw/zinc/23/48/81/624234881.db2.gz YSRSOFYJDUSORR-UHFFFAOYSA-N 0 1 299.399 2.537 20 30 CFEDMN C#CCC(C)(C)C(=O)N1CCN(CCC(C)(C)C)CC1 ZINC000185245329 625704685 /nfs/dbraw/zinc/70/46/85/625704685.db2.gz VIKQHNYWPUBBNE-UHFFFAOYSA-N 0 1 278.440 2.616 20 30 CFEDMN CC#CCN1CCC[C@@H](NC(=O)c2cc(C)cc(C)c2)[C@H]1C ZINC000994299244 624275072 /nfs/dbraw/zinc/27/50/72/624275072.db2.gz XOIQZVPKPMYXSE-SJLPKXTDSA-N 0 1 298.430 2.909 20 30 CFEDMN CC(C)C(=O)C(C#N)=C(O)C1(c2ccccc2)CC1 ZINC000916878863 624290044 /nfs/dbraw/zinc/29/00/44/624290044.db2.gz YFOUXBBSTKIIAX-CYBMUJFWSA-N 0 1 255.317 2.652 20 30 CFEDMN CC(C)NC(=O)[C@@H](C#N)C(=O)C[C@@H](C)CC(C)(C)C ZINC000916951963 624294611 /nfs/dbraw/zinc/29/46/11/624294611.db2.gz PWTAPWVGOKOZSY-NEPJUHHUSA-N 0 1 266.385 2.682 20 30 CFEDMN C=CCN(CC(=O)N[C@@H](C)c1ccccc1OC)C(C)C ZINC000917070503 624306981 /nfs/dbraw/zinc/30/69/81/624306981.db2.gz CQQVLTYNLBHDJM-AWEZNQCLSA-N 0 1 290.407 2.769 20 30 CFEDMN C=CCN1CCC[C@H](NC(=O)c2cccc3c2CCC3)[C@@H]1C ZINC000994512297 624317264 /nfs/dbraw/zinc/31/72/64/624317264.db2.gz UVEXDWCTXMNKEZ-KSSFIOAISA-N 0 1 298.430 2.944 20 30 CFEDMN C=CCN1CCC[C@@H](NC(=O)c2cccc3c2CCC3)[C@@H]1C ZINC000994512293 624317610 /nfs/dbraw/zinc/31/76/10/624317610.db2.gz UVEXDWCTXMNKEZ-KBXCAEBGSA-N 0 1 298.430 2.944 20 30 CFEDMN C=CCN1C(=O)N=NC1SC[C@H]1CCC2(CCC2)CO1 ZINC000917210019 624322367 /nfs/dbraw/zinc/32/23/67/624322367.db2.gz POMBFEYUFMEJQO-LLVKDONJSA-N 0 1 295.408 2.611 20 30 CFEDMN N#CCCCOC(=O)c1ccc(CN2CCCCC2)o1 ZINC000923831588 624344665 /nfs/dbraw/zinc/34/46/65/624344665.db2.gz NJAOHRBYVCTKQU-UHFFFAOYSA-N 0 1 276.336 2.726 20 30 CFEDMN C=CCN(Cn1ncc2cc([N+](=O)[O-])ccc21)C(C)C ZINC000917483322 624346124 /nfs/dbraw/zinc/34/61/24/624346124.db2.gz QVWGISPJHQEMMX-UHFFFAOYSA-N 0 1 274.324 2.798 20 30 CFEDMN Cc1nn(C)cc1C(C)N=Nc1ccc(F)cc1F ZINC000917530519 624355360 /nfs/dbraw/zinc/35/53/60/624355360.db2.gz LLOKWTSLNQAAHB-UHFFFAOYSA-N 0 1 264.279 2.843 20 30 CFEDMN C[C@H]1C[C@H]1c1ccc(C=NNc2ncnc3nc[nH]c32)o1 ZINC000917556272 624359426 /nfs/dbraw/zinc/35/94/26/624359426.db2.gz YUCNXWKPIIUAEI-WCBMZHEXSA-N 0 1 282.307 2.515 20 30 CFEDMN C[C@H]1C[C@@H]1c1ccc(C=NNc2ncnc3nc[nH]c32)o1 ZINC000917556273 624359563 /nfs/dbraw/zinc/35/95/63/624359563.db2.gz YUCNXWKPIIUAEI-WPRPVWTQSA-N 0 1 282.307 2.515 20 30 CFEDMN C=CCN(CCOC)C[C@@]1(C)CC1(Cl)Cl ZINC000829177786 624393286 /nfs/dbraw/zinc/39/32/86/624393286.db2.gz LRSGFPGTBXKDIL-SNVBAGLBSA-N 0 1 252.185 2.705 20 30 CFEDMN C=CCN(C(=O)NC[C@@H](c1ccsc1)N(C)C)C(C)C ZINC000918064709 624414036 /nfs/dbraw/zinc/41/40/36/624414036.db2.gz IPQCIMOKQVXDIG-AWEZNQCLSA-N 0 1 295.452 2.957 20 30 CFEDMN C#CC[C@H]1CCCN(CC(=O)c2cc(C)[nH]c2C)C1 ZINC000829793454 624540860 /nfs/dbraw/zinc/54/08/60/624540860.db2.gz FOVVNQVEQZYQPF-AWEZNQCLSA-N 0 1 258.365 2.550 20 30 CFEDMN C#CC[C@@H]1CCCN([C@H](C)C(=O)c2c[nH]c3ncccc23)C1 ZINC000829811203 624550802 /nfs/dbraw/zinc/55/08/02/624550802.db2.gz ZLHWNMDNJVLXRS-ZIAGYGMSSA-N 0 1 295.386 2.869 20 30 CFEDMN C#CC[C@@H]1CCCN(Cc2nc(-c3cc(C)ccn3)no2)C1 ZINC000829815176 624553987 /nfs/dbraw/zinc/55/39/87/624553987.db2.gz GOFIHXWEQBSEPW-CQSZACIVSA-N 0 1 296.374 2.675 20 30 CFEDMN C=CCN(Cn1ncc2cc(C(=O)OC)ccc21)C(C)C ZINC000919941460 624645077 /nfs/dbraw/zinc/64/50/77/624645077.db2.gz JVLJVLJNYLMQHW-UHFFFAOYSA-N 0 1 287.363 2.677 20 30 CFEDMN C#CC1CCN(CC(=O)N2CCC[C@@H]3CCCC[C@H]32)CC1 ZINC000830301629 624703548 /nfs/dbraw/zinc/70/35/48/624703548.db2.gz RILUZQAGUHJSDI-DLBZAZTESA-N 0 1 288.435 2.513 20 30 CFEDMN C#CC1CCN(Cc2cc(F)cc3c2OCOC3)CC1 ZINC000830304901 624704274 /nfs/dbraw/zinc/70/42/74/624704274.db2.gz BONASLKJDDRFAP-UHFFFAOYSA-N 0 1 275.323 2.537 20 30 CFEDMN C#CC1CCN(CC(=O)Nc2cc(C)cc(C)c2)CC1 ZINC000830330190 624711506 /nfs/dbraw/zinc/71/15/06/624711506.db2.gz SSFWESPGKBRCRU-UHFFFAOYSA-N 0 1 270.376 2.587 20 30 CFEDMN C[C@@H](NN=Cc1cnc(N2CCCC2)nc1)c1ccccc1 ZINC000920383919 624716597 /nfs/dbraw/zinc/71/65/97/624716597.db2.gz ZYRDTSAOCBGIQH-CQSZACIVSA-N 0 1 295.390 2.762 20 30 CFEDMN Fc1cc(C=NNCCN2CCCCC2)ccc1Cl ZINC000921258449 624831428 /nfs/dbraw/zinc/83/14/28/624831428.db2.gz UOAZONUOKNZHKM-UHFFFAOYSA-N 0 1 283.778 2.889 20 30 CFEDMN C=C(C)CN1CC[C@@H](NC(=O)[C@@]2(C)C[C@@H]2c2ccccc2)C1 ZINC001015824213 624928242 /nfs/dbraw/zinc/92/82/42/624928242.db2.gz IZLXQIJJUYPWDK-LMMKCTJWSA-N 0 1 298.430 2.947 20 30 CFEDMN C=C1CCC(CNC(=O)c2ccc3cncn3c2)CC1 ZINC000830990606 624948379 /nfs/dbraw/zinc/94/83/79/624948379.db2.gz GKFXFLMWEQLMKM-UHFFFAOYSA-N 0 1 269.348 2.811 20 30 CFEDMN CC(F)(F)C(=O)N[C@H](c1cccc(C#N)c1)C(F)(F)F ZINC000831095953 624959910 /nfs/dbraw/zinc/95/99/10/624959910.db2.gz PJORXJQMQKCAOZ-SECBINFHSA-N 0 1 292.207 2.933 20 30 CFEDMN C#CCN(CCCO)Cc1ccc(Cl)c(Cl)c1 ZINC000068831169 625030507 /nfs/dbraw/zinc/03/05/07/625030507.db2.gz SZVIEDOHVROKQD-UHFFFAOYSA-N 0 1 272.175 2.811 20 30 CFEDMN COC(=O)C1(C#N)CCN([C@@H]2C=CCCCCC2)CC1 ZINC000831699106 625099886 /nfs/dbraw/zinc/09/98/86/625099886.db2.gz HMYDGCGNJMLNFW-CQSZACIVSA-N 0 1 276.380 2.654 20 30 CFEDMN CC(C)c1cc([C@H]2CCCN(C(=O)C(C)(C)C#N)C2)n[nH]1 ZINC000831910954 625174242 /nfs/dbraw/zinc/17/42/42/625174242.db2.gz PHNSFDXLWRXBBY-LBPRGKRZSA-N 0 1 288.395 2.789 20 30 CFEDMN C=C(Cl)CN[C@@H]1CN(C(=O)C2(C)CC=CC2)CC1(C)C ZINC000996236876 625888717 /nfs/dbraw/zinc/88/87/17/625888717.db2.gz QFNKRIZEWNSQFZ-CYBMUJFWSA-N 0 1 296.842 2.922 20 30 CFEDMN C=C(Cl)CN[C@@H]1CN(C(=O)C2(CC)CC2)CC1(C)C ZINC000996236565 625890232 /nfs/dbraw/zinc/89/02/32/625890232.db2.gz GDRROGLHKQGMGC-GFCCVEGCSA-N 0 1 284.831 2.756 20 30 CFEDMN CC(C)COc1ccccc1C=N[N-]c1[nH+]ccn1C ZINC000834975784 625941859 /nfs/dbraw/zinc/94/18/59/625941859.db2.gz DIWDUQBQTWJKES-UHFFFAOYSA-N 0 1 272.352 2.901 20 30 CFEDMN O=C([O-])c1ccc(N[NH2+]C=C2CC2(F)F)c(F)c1 ZINC000835008074 625954907 /nfs/dbraw/zinc/95/49/07/625954907.db2.gz DZQBECNFPJNBFW-SSDOTTSWSA-N 0 1 258.199 2.577 20 30 CFEDMN CC1(C)OCC[C@@H]1NN=Cc1cc(-c2ccccc2)[nH]n1 ZINC000835017551 625963511 /nfs/dbraw/zinc/96/35/11/625963511.db2.gz PISQODHSCOLKMH-HNNXBMFYSA-N 0 1 284.363 2.568 20 30 CFEDMN C[C@@H](NCc1c2c(nn1C)CCC2)c1ccc(C#N)cc1 ZINC000921516345 625965513 /nfs/dbraw/zinc/96/55/13/625965513.db2.gz NEXXBDYSRMMHQH-GFCCVEGCSA-N 0 1 280.375 2.631 20 30 CFEDMN COc1ncccc1CNCc1c(C)cc(C#N)cc1C ZINC000921522746 625973296 /nfs/dbraw/zinc/97/32/96/625973296.db2.gz UGTOBMJSIVRKKR-UHFFFAOYSA-N 0 1 281.359 2.869 20 30 CFEDMN C=CC[N@@H+]1CC[C@H](NC(=O)[C@H](C)c2ccc(C)s2)C1 ZINC001015990089 625987507 /nfs/dbraw/zinc/98/75/07/625987507.db2.gz FZROTGVDJNUORQ-OLZOCXBDSA-N 0 1 278.421 2.537 20 30 CFEDMN C=CCN1CC[C@H](NC(=O)[C@H](C)c2ccc(C)s2)C1 ZINC001015990089 625987508 /nfs/dbraw/zinc/98/75/08/625987508.db2.gz FZROTGVDJNUORQ-OLZOCXBDSA-N 0 1 278.421 2.537 20 30 CFEDMN C=CCC[C@H](NC(=O)NC[C@H]1CCN1C)c1ccccc1 ZINC000921562619 625989491 /nfs/dbraw/zinc/98/94/91/625989491.db2.gz PYAPVNRLZAIRQC-CVEARBPZSA-N 0 1 287.407 2.697 20 30 CFEDMN N#Cc1cc(CNCc2ccc3c(c2)CCO3)cs1 ZINC000921650017 626045640 /nfs/dbraw/zinc/04/56/40/626045640.db2.gz MIUSDLIRRQMYDB-UHFFFAOYSA-N 0 1 270.357 2.844 20 30 CFEDMN C=C(Cl)CN[C@H]1CCCN(C(=O)c2oc(C)cc2C)C1 ZINC000998857309 626063002 /nfs/dbraw/zinc/06/30/02/626063002.db2.gz HAFNMVUXSVLCDP-ZDUSSCGKSA-N 0 1 296.798 2.843 20 30 CFEDMN C=CC(C)(C)C(=O)N1CCC[C@H](NCC(=C)Cl)C1 ZINC000999897944 626082559 /nfs/dbraw/zinc/08/25/59/626082559.db2.gz HBCMXZVTDZZAAV-LBPRGKRZSA-N 0 1 270.804 2.532 20 30 CFEDMN N#Cc1cc(CN[C@@H](CCO)c2cccs2)cs1 ZINC000921771363 626118060 /nfs/dbraw/zinc/11/80/60/626118060.db2.gz UUVOLDHJBBZJHT-LBPRGKRZSA-N 0 1 278.402 2.895 20 30 CFEDMN C#CCN1CC=C(CNC(=O)[C@H]2CCC=CCCC2)CC1 ZINC001000841394 626132152 /nfs/dbraw/zinc/13/21/52/626132152.db2.gz MZKBIMDQXZUQFK-KRWDZBQOSA-N 0 1 286.419 2.504 20 30 CFEDMN CC#CCN1CC=C(CNC(=O)[C@@H]2CCC[C@H]2CC)CC1 ZINC001001116996 626146290 /nfs/dbraw/zinc/14/62/90/626146290.db2.gz QWGBBKISODELBS-IAGOWNOFSA-N 0 1 288.435 2.584 20 30 CFEDMN CC#CCN1CC=C(CNC(=O)[C@H]2CCC[C@@H]2CC)CC1 ZINC001001116997 626146471 /nfs/dbraw/zinc/14/64/71/626146471.db2.gz QWGBBKISODELBS-IRXDYDNUSA-N 0 1 288.435 2.584 20 30 CFEDMN C=C1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1CC(=O)[O-] ZINC000851709216 634481705 /nfs/dbraw/zinc/48/17/05/634481705.db2.gz JMPZDPDVASMGQN-IYBDPMFKSA-N 0 1 271.360 2.997 20 30 CFEDMN Cc1cc(C#N)cc(C)c1CNCc1ccc(F)cn1 ZINC000921855680 626167953 /nfs/dbraw/zinc/16/79/53/626167953.db2.gz UFAVZTFNAVCCGR-UHFFFAOYSA-N 0 1 269.323 2.999 20 30 CFEDMN C=CCN1CC[C@@H](NC(=O)[C@@H]2CCCCc3ccccc32)C1 ZINC001016351650 626206939 /nfs/dbraw/zinc/20/69/39/626206939.db2.gz CNAUUURGJCDOSU-SJLPKXTDSA-N 0 1 298.430 2.873 20 30 CFEDMN N#Cc1ccc(CNCc2ccnn2C2CCC2)cc1F ZINC000922167813 626229088 /nfs/dbraw/zinc/22/90/88/626229088.db2.gz GFWFXZUPOLIMAB-UHFFFAOYSA-N 0 1 284.338 2.909 20 30 CFEDMN C#Cc1cccc(CNCc2cnn(CC3CCC3)c2)c1 ZINC000922168622 626229130 /nfs/dbraw/zinc/22/91/30/626229130.db2.gz UADLXDXDQUAGGS-UHFFFAOYSA-N 0 1 279.387 2.954 20 30 CFEDMN C=C1CC(C)(C(=O)NC2CCN(C/C=C/Cl)CC2)C1 ZINC001003582591 626240549 /nfs/dbraw/zinc/24/05/49/626240549.db2.gz IDXIBVSGNIJLNE-ZZXKWVIFSA-N 0 1 282.815 2.676 20 30 CFEDMN N#Cc1cc(CN[C@H]2C[C@H](O)c3ccccc32)cs1 ZINC000922246261 626250557 /nfs/dbraw/zinc/25/05/57/626250557.db2.gz LLJQERMECRRSAV-GJZGRUSLSA-N 0 1 270.357 2.888 20 30 CFEDMN N#Cc1cc(CN[C@@H]2C[C@H](O)c3ccccc32)cs1 ZINC000922246260 626250715 /nfs/dbraw/zinc/25/07/15/626250715.db2.gz LLJQERMECRRSAV-CABCVRRESA-N 0 1 270.357 2.888 20 30 CFEDMN CC#CCN1CCC(NC(=O)c2ccccc2Cl)CC1 ZINC001004033973 626278588 /nfs/dbraw/zinc/27/85/88/626278588.db2.gz XSSIYLHRQSBUAU-UHFFFAOYSA-N 0 1 290.794 2.558 20 30 CFEDMN CC(C)[C@H](C(=O)OCC1CCC(C#N)CC1)N1CCCC1 ZINC000922476884 626295265 /nfs/dbraw/zinc/29/52/65/626295265.db2.gz NPOMWYDXTPSFSO-UYSNPLJNSA-N 0 1 292.423 2.980 20 30 CFEDMN C#Cc1cccc(NC(=O)CN(C)CCC2CCC2)c1 ZINC000851729539 634495068 /nfs/dbraw/zinc/49/50/68/634495068.db2.gz CLRPTOIIZKMZTJ-UHFFFAOYSA-N 0 1 270.376 2.728 20 30 CFEDMN CC(C)[C@@H](C(=O)OCc1cc(Cl)cc(C#N)c1)N(C)C ZINC000922664937 626338399 /nfs/dbraw/zinc/33/83/99/626338399.db2.gz UDLFKDSDJJVVMQ-AWEZNQCLSA-N 0 1 294.782 2.841 20 30 CFEDMN N#Cc1ccc(CNC[C@H]2CCCC3(CCC3)O2)o1 ZINC000922814229 626369503 /nfs/dbraw/zinc/36/95/03/626369503.db2.gz UIZFCYRYXMSNKP-CQSZACIVSA-N 0 1 260.337 2.733 20 30 CFEDMN C#CCN(Cc1ccc(F)cc1)[C@H](C)c1n[nH]c(CC)n1 ZINC000851737643 634500466 /nfs/dbraw/zinc/50/04/66/634500466.db2.gz KEXRBILHSJDTGU-GFCCVEGCSA-N 0 1 286.354 2.703 20 30 CFEDMN C=CCN(CCC(OC)OC)Cc1cccc([N+](=O)[O-])c1 ZINC000851738688 634502072 /nfs/dbraw/zinc/50/20/72/634502072.db2.gz OLGAZOZAFSDREW-UHFFFAOYSA-N 0 1 294.351 2.592 20 30 CFEDMN CC#CCN1CCC(N(C)C(=O)C[C@H]2CC=CCC2)CC1 ZINC001005834394 626429291 /nfs/dbraw/zinc/42/92/91/626429291.db2.gz USPQSYUANHOGJG-INIZCTEOSA-N 0 1 288.435 2.679 20 30 CFEDMN C#Cc1ccc(CNCc2c(C)noc2CC)cc1 ZINC000922983742 626437395 /nfs/dbraw/zinc/43/73/95/626437395.db2.gz PQNVWVWXOHXRPU-UHFFFAOYSA-N 0 1 254.333 2.817 20 30 CFEDMN CC#CCN1CCC(N(C)C(=O)[C@H]2CCCC[C@H]2C)CC1 ZINC001005901504 626448289 /nfs/dbraw/zinc/44/82/89/626448289.db2.gz LNNMQQMLVUWQFE-WBVHZDCISA-N 0 1 290.451 2.759 20 30 CFEDMN C=CCN(CCOC1CC1)Cc1cccc([N+](=O)[O-])c1 ZINC000929364683 626453837 /nfs/dbraw/zinc/45/38/37/626453837.db2.gz GZYIPUYOPDKUMC-UHFFFAOYSA-N 0 1 276.336 2.762 20 30 CFEDMN C#CCN1CCC(N(C)C(=O)[C@H](C)c2ccc(C)cc2)CC1 ZINC001006302985 626482574 /nfs/dbraw/zinc/48/25/74/626482574.db2.gz LNRZEEGRORIVIN-MRXNPFEDSA-N 0 1 298.430 2.655 20 30 CFEDMN N#C[C@H](c1ccccc1)[C@@H]1CCCN1C[C@H](O)C1CC1 ZINC000838861583 626511645 /nfs/dbraw/zinc/51/16/45/626511645.db2.gz JNLNMGBDSYUFJR-IKGGRYGDSA-N 0 1 270.376 2.529 20 30 CFEDMN N#Cc1ccc(CNCc2cnc(C3CC3)nc2)cc1 ZINC000838904025 626512952 /nfs/dbraw/zinc/51/29/52/626512952.db2.gz FBGIVIPEAQAMQB-UHFFFAOYSA-N 0 1 264.332 2.515 20 30 CFEDMN N#C[C@@H]1CCC[C@@H](OC(=O)c2cccc(-c3nnc[nH]3)c2)C1 ZINC000839062098 626522534 /nfs/dbraw/zinc/52/25/34/626522534.db2.gz KRJBNKPDEJSSOJ-BXUZGUMPSA-N 0 1 296.330 2.711 20 30 CFEDMN N#C[C@H]1CCC[C@@H](OC(=O)c2ccc3cncn3c2)C1 ZINC000839064481 626522691 /nfs/dbraw/zinc/52/26/91/626522691.db2.gz WXIOWNAAUNAJDG-SMDDNHRTSA-N 0 1 269.304 2.573 20 30 CFEDMN C#CCC[C@@H](C)OC(=O)[C@@H](C(C)C)N1CCCCC1 ZINC000839043870 626523518 /nfs/dbraw/zinc/52/35/18/626523518.db2.gz VENBQYASFGURJG-HUUCEWRRSA-N 0 1 265.397 2.842 20 30 CFEDMN C=C(Cl)CNC1(C(=O)N(CC)CC)CCCCC1 ZINC000839520474 626538027 /nfs/dbraw/zinc/53/80/27/626538027.db2.gz RZRXUPJLDFOBCU-UHFFFAOYSA-N 0 1 272.820 2.900 20 30 CFEDMN Cn1nnc2cc(/C=C\C(=O)c3ccccc3O)ccc21 ZINC000757475214 626553251 /nfs/dbraw/zinc/55/32/51/626553251.db2.gz QHQXOECGCMDTFB-CLFYSBASSA-N 0 1 279.299 2.570 20 30 CFEDMN C[C@H](C#N)CNN=Cc1cc(Cl)c(O)cc1Cl ZINC000758118828 626577330 /nfs/dbraw/zinc/57/73/30/626577330.db2.gz QCWIDBPQNHUZDD-SSDOTTSWSA-N 0 1 272.135 2.782 20 30 CFEDMN Cc1oc2ccccc2c1C=NNc1cnccn1 ZINC000758098668 626576516 /nfs/dbraw/zinc/57/65/16/626576516.db2.gz SLGJWROCXKIVON-UHFFFAOYSA-N 0 1 252.277 2.977 20 30 CFEDMN COc1cccc(N=NCc2ccc([N+](=O)[O-])cc2C)n1 ZINC000758127214 626577708 /nfs/dbraw/zinc/57/77/08/626577708.db2.gz QIOCDTZAPMYDDF-UHFFFAOYSA-N 0 1 286.291 2.753 20 30 CFEDMN C[C@H]1CC(=NOCc2ccc(F)cc2)CN1C1CC1 ZINC000758143595 626579149 /nfs/dbraw/zinc/57/91/49/626579149.db2.gz HNBKBZIHHZUNQL-NSHDSACASA-N 0 1 262.328 2.955 20 30 CFEDMN C#CCNC(=S)Nc1cccc2c1CN(CCCC)C2 ZINC000758217812 626583476 /nfs/dbraw/zinc/58/34/76/626583476.db2.gz SUTGDKOSSZBUED-UHFFFAOYSA-N 0 1 287.432 2.722 20 30 CFEDMN C[C@H]1[C@H](c2ccccc2)CCN1Cn1cccc(C#N)c1=O ZINC000758237131 626584514 /nfs/dbraw/zinc/58/45/14/626584514.db2.gz OLNSCRFGZJOLCP-WMLDXEAASA-N 0 1 293.370 2.555 20 30 CFEDMN C(#Cc1ccccc1)CNCc1ccc(N2CCCC2)nc1 ZINC000758487245 626595440 /nfs/dbraw/zinc/59/54/40/626595440.db2.gz XGKCIHOTPJARTQ-UHFFFAOYSA-N 0 1 291.398 2.823 20 30 CFEDMN Oc1c(F)cc(Cl)cc1C=NOCC(F)F ZINC000758904188 626616621 /nfs/dbraw/zinc/61/66/21/626616621.db2.gz NZEDPSGIPWQPDF-UHFFFAOYSA-N 0 1 253.607 2.800 20 30 CFEDMN CC[C@@H](C(=O)OCc1ccc(F)c(C#N)c1)N(CC)CC ZINC000758953865 626620202 /nfs/dbraw/zinc/62/02/02/626620202.db2.gz ZVGCOPFARLDXCY-HNNXBMFYSA-N 0 1 292.354 2.861 20 30 CFEDMN Cc1ccc(NN=Cc2ccc(F)c3cccnc23)nn1 ZINC000759194798 626635144 /nfs/dbraw/zinc/63/51/44/626635144.db2.gz JKIRUAGWLXTYHZ-UHFFFAOYSA-N 0 1 281.294 2.918 20 30 CFEDMN CC(=[NH+][N-]c1cnccn1)c1ccc(F)cc1N(C)C ZINC000759193773 626635244 /nfs/dbraw/zinc/63/52/44/626635244.db2.gz QVZRNPQJTHSAAQ-UHFFFAOYSA-N 0 1 273.315 2.518 20 30 CFEDMN CCCCCCNC(=O)[C@@H](C#N)C(=O)CC1(C)CC1 ZINC000759430927 626657648 /nfs/dbraw/zinc/65/76/48/626657648.db2.gz WLWOXPSGSRCWDE-LBPRGKRZSA-N 0 1 264.369 2.582 20 30 CFEDMN C#CCCCC(=O)[C@H](C#N)c1nc2cccc(C)c2[nH]1 ZINC000759518886 626666837 /nfs/dbraw/zinc/66/68/37/626666837.db2.gz PJLOKKFJNYVGKF-LBPRGKRZSA-N 0 1 265.316 2.851 20 30 CFEDMN COc1ccc(/C=C\C(=O)Nc2cc(C#N)ccc2O)cc1 ZINC000759713086 626686143 /nfs/dbraw/zinc/68/61/43/626686143.db2.gz HDQOEFMMLRPIOI-UITAMQMPSA-N 0 1 294.310 2.924 20 30 CFEDMN Cc1cc(C=NNc2ccc(-n3cccn3)nn2)c(C)s1 ZINC000760241297 626722785 /nfs/dbraw/zinc/72/27/85/626722785.db2.gz CCNAGQCXAIOKKI-UHFFFAOYSA-N 0 1 298.375 2.787 20 30 CFEDMN Fc1cc(C=NNc2cccnn2)c2ncccc2c1 ZINC000760260218 626725713 /nfs/dbraw/zinc/72/57/13/626725713.db2.gz LQNRERYOVABSTP-UHFFFAOYSA-N 0 1 267.267 2.610 20 30 CFEDMN Cc1cc(NN=Cc2cnc(Cl)c(C)c2)ncn1 ZINC000760259274 626726121 /nfs/dbraw/zinc/72/61/21/626726121.db2.gz SZIRXHLAZGWVOU-UHFFFAOYSA-N 0 1 261.716 2.588 20 30 CFEDMN N#CC(C(=O)CCc1ccc(F)cc1F)c1ccncn1 ZINC000760341011 626736974 /nfs/dbraw/zinc/73/69/74/626736974.db2.gz PXQPPVMETCZPHG-GFCCVEGCSA-N 0 1 287.269 2.564 20 30 CFEDMN C#CCOCCN(C)[C@H](C)c1ccccc1Cl ZINC000761110688 626805882 /nfs/dbraw/zinc/80/58/82/626805882.db2.gz UMIIDZJNZYVHGT-GFCCVEGCSA-N 0 1 251.757 2.983 20 30 CFEDMN C[C@H]1CC(N=Nc2ccc3ccccc3n2)CN1C ZINC000761793932 626859157 /nfs/dbraw/zinc/85/91/57/626859157.db2.gz QQVUUMYPYIFSOW-NSHDSACASA-N 0 1 254.337 2.727 20 30 CFEDMN C[C@H]1CC(N=Nc2ncc(Cl)cc2Cl)CN1C ZINC000761805195 626859584 /nfs/dbraw/zinc/85/95/84/626859584.db2.gz OOYLMRISTXVGGX-ZETCQYMHSA-N 0 1 273.167 2.880 20 30 CFEDMN C[C@@H]1CC(N=Nc2ncccc2C(F)(F)F)CN1C ZINC000761806026 626859954 /nfs/dbraw/zinc/85/99/54/626859954.db2.gz PMSGOASNOZWVGS-MRVPVSSYSA-N 0 1 272.274 2.592 20 30 CFEDMN Cc1ccc2c(c1C)C(N=Nc1cnn(C)c1)CCO2 ZINC000761880498 626868268 /nfs/dbraw/zinc/86/82/68/626868268.db2.gz CURDYCDTATUFSU-UHFFFAOYSA-N 0 1 270.336 2.636 20 30 CFEDMN C#CCCc1noc(-c2cc(-c3cccs3)n[nH]2)n1 ZINC000762002003 626879139 /nfs/dbraw/zinc/87/91/39/626879139.db2.gz WHYPZWCDVUVOSY-UHFFFAOYSA-N 0 1 270.317 2.754 20 30 CFEDMN C#C[C@@H](NCc1cc2c(cc1OC)OCO2)C(C)(C)C ZINC000809781479 626915360 /nfs/dbraw/zinc/91/53/60/626915360.db2.gz SPMLWXCFCOEREU-OAHLLOKOSA-N 0 1 275.348 2.561 20 30 CFEDMN C#Cc1cncc(C(=O)Nc2cc(Cl)c(O)cc2F)c1 ZINC000805259521 626948172 /nfs/dbraw/zinc/94/81/72/626948172.db2.gz IRQQPGIOHCRNRF-UHFFFAOYSA-N 0 1 290.681 2.813 20 30 CFEDMN CC(=NNC1=N[C@@H]2CCCC[C@H]2N1)c1cc(C)ccc1F ZINC000763370790 626983545 /nfs/dbraw/zinc/98/35/45/626983545.db2.gz URSNBJBIQSZESC-HUUCEWRRSA-N 0 1 288.370 2.718 20 30 CFEDMN CCC(=NNC1=NC[C@H](C)N1)c1cccc(Cl)c1F ZINC000763405351 626985938 /nfs/dbraw/zinc/98/59/38/626985938.db2.gz DFBKILYBWMBAQA-QMMMGPOBSA-N 0 1 282.750 2.531 20 30 CFEDMN C[C@@H]1N(CCCOc2ccc(C#N)cc2)CCOC1(C)C ZINC000763414736 626987566 /nfs/dbraw/zinc/98/75/66/626987566.db2.gz BRLWLVKPZZFTFU-AWEZNQCLSA-N 0 1 288.391 2.826 20 30 CFEDMN CSCCn1[nH]c(C(C)(C)C)c(CCC#N)c1=O ZINC000763420297 626988056 /nfs/dbraw/zinc/98/80/56/626988056.db2.gz QDMCGXUYJRIQAL-UHFFFAOYSA-N 0 1 267.398 2.705 20 30 CFEDMN C#CCN(Cc1cc(=O)oc2cc(O)c(CC)cc12)C1CC1 ZINC000763949761 627024585 /nfs/dbraw/zinc/02/45/85/627024585.db2.gz HGDSXGHTEXKPAB-UHFFFAOYSA-N 0 1 297.354 2.659 20 30 CFEDMN N#Cc1ccc(O)c(NC(=O)C(F)=C2CCCC2)c1 ZINC000764397081 627056983 /nfs/dbraw/zinc/05/69/83/627056983.db2.gz UVUSVFKGGIWQEE-UHFFFAOYSA-N 0 1 260.268 3.000 20 30 CFEDMN CCCNN=C(C)c1ccc(N2CCOCC2)cc1Cl ZINC000764682460 627083961 /nfs/dbraw/zinc/08/39/61/627083961.db2.gz MTTBOAYMKXJMSD-UHFFFAOYSA-N 0 1 295.814 2.900 20 30 CFEDMN COc1cc(C(C)=NNC2CCCC2)cc([N+](=O)[O-])c1O ZINC000764690648 627084221 /nfs/dbraw/zinc/08/42/21/627084221.db2.gz PLKICEGFYSIVDA-UHFFFAOYSA-N 0 1 293.323 2.565 20 30 CFEDMN C=CCNC(=O)C(C#N)C(=O)[C@@H](CC)C1CCC(C)CC1 ZINC000764759770 627091226 /nfs/dbraw/zinc/09/12/26/627091226.db2.gz JRLYMKVPMLVFJF-WUCCLRPBSA-N 0 1 290.407 2.850 20 30 CFEDMN CC#CCCN1CCN(C(=O)OC(C)(C)C)[C@@H](C)[C@H]1C ZINC000765003525 627112409 /nfs/dbraw/zinc/11/24/09/627112409.db2.gz PCEYHRMHWZZQGI-KGLIPLIRSA-N 0 1 280.412 2.730 20 30 CFEDMN C[C@@H]1CC(NC(=O)c2cc(Cl)cc3cccnc32)=NO1 ZINC000765375343 627133083 /nfs/dbraw/zinc/13/30/83/627133083.db2.gz HEIQLLWNMCZRAG-MRVPVSSYSA-N 0 1 289.722 2.740 20 30 CFEDMN CCOc1nccc(C)c1C(=O)Nc1cc(C#N)ccc1O ZINC000765480557 627141322 /nfs/dbraw/zinc/14/13/22/627141322.db2.gz YZBFBWNRBSDNQI-UHFFFAOYSA-N 0 1 297.314 2.618 20 30 CFEDMN Cc1cccc2nc(CN=Cc3ccc(O)c(O)c3O)[nH]c21 ZINC000765499335 627143635 /nfs/dbraw/zinc/14/36/35/627143635.db2.gz HXTHKBCLYLZIDZ-IDUWFGFVSA-N 0 1 297.314 2.607 20 30 CFEDMN Cc1cc(C(C#N)C(=O)[C@H](C)CC(C)C)nc(C)n1 ZINC000765585509 627148934 /nfs/dbraw/zinc/14/89/34/627148934.db2.gz ADOKXQXBPFSSSP-ZWNOBZJWSA-N 0 1 259.353 2.952 20 30 CFEDMN CCN1C[C@H](C)N(C(=O)/C=C/c2ccccc2C#N)C[C@@H]1C ZINC000765932401 627164618 /nfs/dbraw/zinc/16/46/18/627164618.db2.gz NELDPHORCSIDLS-CWCINCBISA-N 0 1 297.402 2.513 20 30 CFEDMN C#CCOc1ccc([C@@H](C)NCc2cc(C)n[nH]2)cc1 ZINC000766082704 627176258 /nfs/dbraw/zinc/17/62/58/627176258.db2.gz BELGLPNWMKUUPN-CYBMUJFWSA-N 0 1 269.348 2.581 20 30 CFEDMN C[C@@H](N(C)Cn1cc2c(c(C#N)c1=O)CCC2)C(C)(C)C ZINC000766611500 627211188 /nfs/dbraw/zinc/21/11/88/627211188.db2.gz LOSXRENJIZKQQU-GFCCVEGCSA-N 0 1 287.407 2.533 20 30 CFEDMN C(=NNC1CCCC1)c1cc(-c2ccccc2)[nH]n1 ZINC000767783919 627284778 /nfs/dbraw/zinc/28/47/78/627284778.db2.gz ZIVLSQXUHIEVNH-UHFFFAOYSA-N 0 1 254.337 2.943 20 30 CFEDMN COc1ccc(N=NCc2cccnc2C)c([N+](=O)[O-])c1 ZINC000767797913 627286506 /nfs/dbraw/zinc/28/65/06/627286506.db2.gz SFOHNKGKSNWSSR-UHFFFAOYSA-N 0 1 286.291 2.753 20 30 CFEDMN Cc1cc(CN(CCC#N)CC(C)C)ccc1-n1cncn1 ZINC000768153814 627321721 /nfs/dbraw/zinc/32/17/21/627321721.db2.gz KUPWBFFDBCMDPN-UHFFFAOYSA-N 0 1 297.406 2.947 20 30 CFEDMN C#CCOc1ccc(CN2C[C@@H](C)OC[C@H]2CC)cc1 ZINC000768174144 627323512 /nfs/dbraw/zinc/32/35/12/627323512.db2.gz XIAGOVCTDSPWME-GDBMZVCRSA-N 0 1 273.376 2.698 20 30 CFEDMN Cc1cc(NN=Cc2cc(Cl)cc(F)c2O)ncn1 ZINC000768361993 627337221 /nfs/dbraw/zinc/33/72/21/627337221.db2.gz LOKVJCSPFSTBDZ-UHFFFAOYSA-N 0 1 280.690 2.729 20 30 CFEDMN Cc1nccc([C@H]2CCCN(Cc3ccc(C#N)o3)C2)n1 ZINC000768939885 627388365 /nfs/dbraw/zinc/38/83/65/627388365.db2.gz DXFYKVVAFCQEEQ-ZDUSSCGKSA-N 0 1 282.347 2.629 20 30 CFEDMN CCOc1ccc(CN(CCC#N)CC2CC2)c(O)c1 ZINC000769335602 627426638 /nfs/dbraw/zinc/42/66/38/627426638.db2.gz OHUNXBQTLVNSNG-UHFFFAOYSA-N 0 1 274.364 2.917 20 30 CFEDMN C#C[C@H](C)N(C)Cc1cc(=O)oc2c(C)c(C)ccc12 ZINC000769962552 627492176 /nfs/dbraw/zinc/49/21/76/627492176.db2.gz FLPXDOFVALJYHD-LBPRGKRZSA-N 0 1 269.344 2.863 20 30 CFEDMN C#CC[C@H](NCc1cn(C)nc1CC)c1ccccc1 ZINC000770742774 627545452 /nfs/dbraw/zinc/54/54/52/627545452.db2.gz XKQDLHIUYOZDAH-KRWDZBQOSA-N 0 1 267.376 2.837 20 30 CFEDMN CN(C)c1ccc(C(N)=NOCC2CCCC2)cc1 ZINC000771861638 627638841 /nfs/dbraw/zinc/63/88/41/627638841.db2.gz AVLZYCZCDIUDQD-UHFFFAOYSA-N 0 1 261.369 2.580 20 30 CFEDMN CC(C)c1nccnc1N=NC1C[C@H](C)N(C2CC2)C1 ZINC000773085836 627781438 /nfs/dbraw/zinc/78/14/38/627781438.db2.gz MHKYCPVUNOIKHP-NSHDSACASA-N 0 1 273.384 2.625 20 30 CFEDMN C=CCCC[C@@H](C)OC(=O)c1ccc([N+](=O)[O-])[nH]1 ZINC000773876180 627864718 /nfs/dbraw/zinc/86/47/18/627864718.db2.gz DTBWQWZPAKZEOI-SECBINFHSA-N 0 1 252.270 2.825 20 30 CFEDMN CCCCCNC(=O)[C@@H](C#N)C(=O)[C@@H]1CCCC1(C)C ZINC000773967609 627874438 /nfs/dbraw/zinc/87/44/38/627874438.db2.gz AJLFLXXOHCWKNT-STQMWFEESA-N 0 1 278.396 2.828 20 30 CFEDMN Cc1cc(C(C#N)C(=O)[C@H]2C[C@@]2(C)C(C)C)nc(C)n1 ZINC000773972141 627875250 /nfs/dbraw/zinc/87/52/50/627875250.db2.gz NJUNDGJFTWTLNI-ZENOOKHLSA-N 0 1 271.364 2.952 20 30 CFEDMN N#CC(C(=O)Nc1ccccc1)C(=O)C1(F)CCCC1 ZINC000773977210 627875966 /nfs/dbraw/zinc/87/59/66/627875966.db2.gz UXSSCODWIWCUIF-GFCCVEGCSA-N 0 1 274.295 2.616 20 30 CFEDMN CCc1ccc(NC(=O)[C@H](C#N)C(=O)c2nccs2)cc1 ZINC000774056817 627882521 /nfs/dbraw/zinc/88/25/21/627882521.db2.gz ZDPUELYEPOETPB-GFCCVEGCSA-N 0 1 299.355 2.667 20 30 CFEDMN CCc1ccc(NC(=O)C(C#N)C(=O)c2nccs2)cc1 ZINC000774056817 627882524 /nfs/dbraw/zinc/88/25/24/627882524.db2.gz ZDPUELYEPOETPB-GFCCVEGCSA-N 0 1 299.355 2.667 20 30 CFEDMN C#CCN1CCC[C@@H]1COC(=O)/C(C)=C\C(C)(C)C ZINC000774063186 627883212 /nfs/dbraw/zinc/88/32/12/627883212.db2.gz RQSQOSPZPXJLDV-YBEMTRGBSA-N 0 1 263.381 2.620 20 30 CFEDMN C#C[C@H](N[C@@H](CC)c1ccc(C#N)cc1)[C@H]1CCCO1 ZINC000774358614 627918845 /nfs/dbraw/zinc/91/88/45/627918845.db2.gz HVBGBKHMWUTDEI-YESZJQIVSA-N 0 1 268.360 2.780 20 30 CFEDMN C(=NOC1CCOCC1)c1cc(-c2ccccc2)[nH]n1 ZINC000774452436 627928820 /nfs/dbraw/zinc/92/88/20/627928820.db2.gz WXCCFABKYRHNCG-UHFFFAOYSA-N 0 1 271.320 2.606 20 30 CFEDMN C(=NOC1CCCC1)c1ccc(N2CCCC2)nc1 ZINC000774597738 627940722 /nfs/dbraw/zinc/94/07/22/627940722.db2.gz XMMSHCXQENTYEP-UHFFFAOYSA-N 0 1 259.353 2.975 20 30 CFEDMN CC(C)C(N)=NOCc1ccc(C#N)cc1OC(F)F ZINC000774777420 627961413 /nfs/dbraw/zinc/96/14/13/627961413.db2.gz JPTCBZCPFGYNRO-UHFFFAOYSA-N 0 1 283.278 2.814 20 30 CFEDMN Cn1cnc2cc(CNCC#Cc3ccccc3)ccc21 ZINC000774814686 627966162 /nfs/dbraw/zinc/96/61/62/627966162.db2.gz KQNHGOKEUHXUBY-UHFFFAOYSA-N 0 1 275.355 2.715 20 30 CFEDMN N#Cc1cccc(COC(=O)[C@H]2CCCc3[nH]ncc32)c1F ZINC000774967886 627982514 /nfs/dbraw/zinc/98/25/14/627982514.db2.gz AZYFJPVGHCEHDK-LBPRGKRZSA-N 0 1 299.305 2.584 20 30 CFEDMN C=Cn1cc(CNCc2cccc(O[C@@H](C#N)CC)c2)cn1 ZINC000774993412 627983803 /nfs/dbraw/zinc/98/38/03/627983803.db2.gz ZJOQWDAQJSDDBN-MRXNPFEDSA-N 0 1 296.374 2.954 20 30 CFEDMN C=Cn1cc(CNCc2cccc(O[C@H](C#N)CC)c2)cn1 ZINC000774993410 627983868 /nfs/dbraw/zinc/98/38/68/627983868.db2.gz ZJOQWDAQJSDDBN-INIZCTEOSA-N 0 1 296.374 2.954 20 30 CFEDMN C#C[C@H](NCc1ccc(C(F)(F)F)cc1)[C@H]1CCCO1 ZINC000775340177 628011857 /nfs/dbraw/zinc/01/18/57/628011857.db2.gz FVGXQAMIVFZOCP-UONOGXRCSA-N 0 1 283.293 2.976 20 30 CFEDMN C#C[C@H](NCc1cc(C)c(OC)c(C)c1)[C@@H]1CCCO1 ZINC000775341406 628012514 /nfs/dbraw/zinc/01/25/14/628012514.db2.gz MHRIUJUNCBLLIB-HOTGVXAUSA-N 0 1 273.376 2.582 20 30 CFEDMN C#C[C@@H](NCc1ccc(OCC(F)F)cc1)[C@@H]1CCCO1 ZINC000775350259 628014292 /nfs/dbraw/zinc/01/42/92/628014292.db2.gz OJWSLZWNHBUVOS-CABCVRRESA-N 0 1 295.329 2.601 20 30 CFEDMN C#CC[C@H](NCc1cccc(C(=O)NC)c1)c1ccccc1 ZINC000775399160 628020959 /nfs/dbraw/zinc/02/09/59/628020959.db2.gz PVLFCUGQEJDKNF-SFHVURJKSA-N 0 1 292.382 2.900 20 30 CFEDMN C#CC[C@@H](NCC(=O)NCc1ccccc1)c1ccccc1 ZINC000775400427 628021159 /nfs/dbraw/zinc/02/11/59/628021159.db2.gz OYQYICUBCBAFCL-GOSISDBHSA-N 0 1 292.382 2.657 20 30 CFEDMN C#C[C@H](N[C@H](C)c1ccccc1N(C)C)[C@H]1CCCO1 ZINC000775571956 628039759 /nfs/dbraw/zinc/03/97/59/628039759.db2.gz NEHQNVNAYBFTNG-UKPHBRMFSA-N 0 1 272.392 2.584 20 30 CFEDMN C#C[C@H](N[C@H](C)c1ccc(Cl)nc1)[C@@H]1CCCO1 ZINC000775573656 628041504 /nfs/dbraw/zinc/04/15/04/628041504.db2.gz IMFBMPFPHJLKQZ-WXHSDQCUSA-N 0 1 264.756 2.566 20 30 CFEDMN C#C[C@H](N[C@@H](C)c1cc([N+](=O)[O-])ccc1C)[C@@H]1CCCO1 ZINC000775573355 628041761 /nfs/dbraw/zinc/04/17/61/628041761.db2.gz HNBIWTKTZORPCA-RCBQFDQVSA-N 0 1 288.347 2.735 20 30 CFEDMN C#C[C@H](N[C@H](C)c1cccc(OCC)c1)[C@@H]1CCCO1 ZINC000775575868 628042455 /nfs/dbraw/zinc/04/24/55/628042455.db2.gz ZWHSHMHQNJOEIE-COXVUDFISA-N 0 1 273.376 2.917 20 30 CFEDMN C#C[C@H](NCCOc1ccc2ccccc2c1)[C@H]1CCCO1 ZINC000775798712 628069489 /nfs/dbraw/zinc/06/94/89/628069489.db2.gz IMVTZSIICGFXFC-RBUKOAKNSA-N 0 1 295.382 2.989 20 30 CFEDMN C#CCOc1ccccc1NC(=O)c1c(O)cccc1F ZINC000775948741 628087182 /nfs/dbraw/zinc/08/71/82/628087182.db2.gz ZUQYPPIPSCRPMM-UHFFFAOYSA-N 0 1 285.274 2.796 20 30 CFEDMN C[C@H](NCc1cccc(F)n1)c1cccc(C#N)c1 ZINC000776171707 628111532 /nfs/dbraw/zinc/11/15/32/628111532.db2.gz UTCLHQHTFPRAHI-NSHDSACASA-N 0 1 255.296 2.943 20 30 CFEDMN O=C(/C=C/c1cc(O)ccc1[N+](=O)[O-])c1cscn1 ZINC000776192090 628114431 /nfs/dbraw/zinc/11/44/31/628114431.db2.gz HXWSODJTNBSQHF-DAFODLJHSA-N 0 1 276.273 2.653 20 30 CFEDMN Fc1ccc(CN=Nc2cc(Cl)ccn2)cn1 ZINC000777442013 628225916 /nfs/dbraw/zinc/22/59/16/628225916.db2.gz BENVPJQNKSDQLI-UHFFFAOYSA-N 0 1 250.664 2.715 20 30 CFEDMN C[C@H]1CC(=NOCCC(F)(F)F)CN1C1CC1 ZINC000777462697 628228182 /nfs/dbraw/zinc/22/81/82/628228182.db2.gz HVUCEVQREYZXTH-QMMMGPOBSA-N 0 1 250.264 2.568 20 30 CFEDMN Oc1cccc(C=NNc2cc(Cl)ccn2)c1O ZINC000777906706 628264327 /nfs/dbraw/zinc/26/43/27/628264327.db2.gz LCBDFADMEHUIKX-UHFFFAOYSA-N 0 1 263.684 2.592 20 30 CFEDMN Clc1ccnc(NN=Cc2cnc3ccccn23)c1 ZINC000777906825 628264434 /nfs/dbraw/zinc/26/44/34/628264434.db2.gz OVJVTGKTCOTUPQ-UHFFFAOYSA-N 0 1 271.711 2.829 20 30 CFEDMN C[C@@H](NCc1ccc(F)nc1)c1cccc(C#N)c1 ZINC000778172624 628283583 /nfs/dbraw/zinc/28/35/83/628283583.db2.gz MGNUIMITSFXPKE-LLVKDONJSA-N 0 1 255.296 2.943 20 30 CFEDMN C=C(C)CN(C)CC(=O)N[C@@H](C)CCCCCC ZINC000778230529 628289935 /nfs/dbraw/zinc/28/99/35/628289935.db2.gz GGRYYDAXIWMNQY-AWEZNQCLSA-N 0 1 254.418 2.969 20 30 CFEDMN CC#CCCN1[C@H](C)CN(C(=O)OC(C)(C)C)C[C@@H]1C ZINC000778297867 628295465 /nfs/dbraw/zinc/29/54/65/628295465.db2.gz SQAZHCJBFZEVRU-OKILXGFUSA-N 0 1 280.412 2.730 20 30 CFEDMN C#CC[C@@H](OC(=O)[C@@H](CC)N(CC)CC)C(C)C ZINC000778663018 628323075 /nfs/dbraw/zinc/32/30/75/628323075.db2.gz GTBPWNAZXSENCH-ZIAGYGMSSA-N 0 1 253.386 2.698 20 30 CFEDMN C#CCOc1ccc(CN2CC[C@@H](C)[C@H](F)C2)cc1 ZINC000779151121 628355996 /nfs/dbraw/zinc/35/59/96/628355996.db2.gz VKUFETKNJIUBJU-CZUORRHYSA-N 0 1 261.340 2.879 20 30 CFEDMN C#CCOc1ccc(CN2CC[C@H](C)[C@H](F)C2)cc1 ZINC000779151123 628356278 /nfs/dbraw/zinc/35/62/78/628356278.db2.gz VKUFETKNJIUBJU-XJKSGUPXSA-N 0 1 261.340 2.879 20 30 CFEDMN CC(C)(C)OC(=O)N1C[C@@H](C#N)[C@@H](NCC2(C)CCC2)C1 ZINC000779412210 628379668 /nfs/dbraw/zinc/37/96/68/628379668.db2.gz KHZBSJVWPGSDKJ-OLZOCXBDSA-N 0 1 293.411 2.525 20 30 CFEDMN CC(C)(C)OC(=O)N1C[C@H](NCC2(C)CCC2)[C@@H](C#N)C1 ZINC000779412212 628379746 /nfs/dbraw/zinc/37/97/46/628379746.db2.gz KHZBSJVWPGSDKJ-STQMWFEESA-N 0 1 293.411 2.525 20 30 CFEDMN C#C[C@](C)(CC)NCC(=O)Nc1ccccc1CC ZINC000852097853 634651560 /nfs/dbraw/zinc/65/15/60/634651560.db2.gz YGJJTHITMOXESR-MRXNPFEDSA-N 0 1 258.365 2.579 20 30 CFEDMN C#C[C@@](C)(CC)N[C@H](C)C(=O)Nc1cccc(C)c1 ZINC000852098787 634653205 /nfs/dbraw/zinc/65/32/05/634653205.db2.gz VYNCBLGWOXKTJM-CJNGLKHVSA-N 0 1 258.365 2.714 20 30 CFEDMN C[C@@H]1CCN(Cc2ccccc2)CC1N=Nc1ccncc1 ZINC000779809882 628409100 /nfs/dbraw/zinc/40/91/00/628409100.db2.gz WWDNJPFLKGYXFA-OAHLLOKOSA-N 0 1 294.402 2.813 20 30 CFEDMN COc1cccc(N=NCc2cc(F)cc(F)c2)n1 ZINC000779816088 628410341 /nfs/dbraw/zinc/41/03/41/628410341.db2.gz AOKFTYWEGDKHMK-UHFFFAOYSA-N 0 1 263.247 2.814 20 30 CFEDMN COc1cccc(N=NC(C)c2ccc(N)cc2)n1 ZINC000779818753 628410830 /nfs/dbraw/zinc/41/08/30/628410830.db2.gz BJOUGMKQMZYSCX-UHFFFAOYSA-N 0 1 256.309 2.509 20 30 CFEDMN COc1cccc(NN=C2CCOc3c(OC)cccc32)n1 ZINC000779819710 628411265 /nfs/dbraw/zinc/41/12/65/628411265.db2.gz UHCCVHPFAZTBSE-UHFFFAOYSA-N 0 1 299.330 2.698 20 30 CFEDMN C#C[C@](C)(CC)N[C@H](C)C(=O)Nc1ccc(C(C)=O)cc1 ZINC000852099975 634653901 /nfs/dbraw/zinc/65/39/01/634653901.db2.gz DWVSATSEBVTYGC-SJKOYZFVSA-N 0 1 286.375 2.608 20 30 CFEDMN C#CCCCCCC(=O)Nc1ccn(-c2ccncc2)n1 ZINC000779940224 628420503 /nfs/dbraw/zinc/42/05/03/628420503.db2.gz OITRCUBLOGIEMY-UHFFFAOYSA-N 0 1 282.347 2.790 20 30 CFEDMN C#C[C@](C)(CC)NCC(=O)Nc1ccc(CC)cc1 ZINC000852101062 634655267 /nfs/dbraw/zinc/65/52/67/634655267.db2.gz NDGQLACZWOTBRH-MRXNPFEDSA-N 0 1 258.365 2.579 20 30 CFEDMN C#C[C@@](C)(CC)NCC(=O)Nc1ccc(OC(F)F)cc1 ZINC000852100763 634655348 /nfs/dbraw/zinc/65/53/48/634655348.db2.gz KIJGTSRTDYMAPC-HNNXBMFYSA-N 0 1 296.317 2.618 20 30 CFEDMN CC(=NNC1=NC[C@@H](C)N1)c1cc2ccccc2s1 ZINC000780242581 628443535 /nfs/dbraw/zinc/44/35/35/628443535.db2.gz GXUYWCLODZOZLP-SECBINFHSA-N 0 1 272.377 2.563 20 30 CFEDMN C#Cc1ccccc1C(C)=NNc1ccc(OC)cn1 ZINC000780270932 628448554 /nfs/dbraw/zinc/44/85/54/628448554.db2.gz NBVPDHRQMIJGRC-UHFFFAOYSA-N 0 1 265.316 2.908 20 30 CFEDMN COc1ccc(NN=C(C)c2ccc(OCC#N)cc2)nc1 ZINC000780269657 628448873 /nfs/dbraw/zinc/44/88/73/628448873.db2.gz VFNJUQCHJYDYKA-UHFFFAOYSA-N 0 1 296.330 2.829 20 30 CFEDMN C#CCOc1ccc(CN=Nc2ccc(OC)cn2)cc1 ZINC000780271659 628449112 /nfs/dbraw/zinc/44/91/12/628449112.db2.gz VZPWTZUGRPLJES-UHFFFAOYSA-N 0 1 281.315 2.548 20 30 CFEDMN COc1ccc(NN=Cc2ccc(-n3cccn3)cc2)nc1 ZINC000780271627 628449210 /nfs/dbraw/zinc/44/92/10/628449210.db2.gz VCKVQUYRKLWDPT-UHFFFAOYSA-N 0 1 293.330 2.722 20 30 CFEDMN COc1ccc(NN=Cc2cc(C)c(O)c(C)c2)nc1 ZINC000780276689 628449554 /nfs/dbraw/zinc/44/95/54/628449554.db2.gz QDFDQRDRPRRAKW-UHFFFAOYSA-N 0 1 271.320 2.859 20 30 CFEDMN N#Cc1ccc(CN[C@@H]2CCc3ccc(F)cc32)nc1 ZINC000780329609 628455207 /nfs/dbraw/zinc/45/52/07/628455207.db2.gz LLRZARHYDMMWSO-MRXNPFEDSA-N 0 1 267.307 2.869 20 30 CFEDMN Cc1cc(F)ccc1[C@H](O)CN1CCC(C)(C#N)CC1 ZINC000780336485 628456338 /nfs/dbraw/zinc/45/63/38/628456338.db2.gz KKKKNBCRDQVYRV-OAHLLOKOSA-N 0 1 276.355 2.793 20 30 CFEDMN N#Cc1ccc(CNCc2c[nH]nc2-c2cccs2)nc1 ZINC000780553543 628474763 /nfs/dbraw/zinc/47/47/63/628474763.db2.gz DTWRUQBXTASPPE-UHFFFAOYSA-N 0 1 295.371 2.695 20 30 CFEDMN N#Cc1ccc(CNCc2cc(F)cc3cccnc32)nc1 ZINC000780553947 628475148 /nfs/dbraw/zinc/47/51/48/628475148.db2.gz HGMVYYTXICQGBT-UHFFFAOYSA-N 0 1 292.317 2.930 20 30 CFEDMN CC(=NNc1cc(C)nc(C)n1)c1ccc(C#N)cc1F ZINC000781122837 628523514 /nfs/dbraw/zinc/52/35/14/628523514.db2.gz NYKYARKBTHVXII-UHFFFAOYSA-N 0 1 283.310 2.940 20 30 CFEDMN C#CCOc1ccc(CN2CCC[C@@H](OC(F)F)C2)cc1 ZINC000781532376 628557378 /nfs/dbraw/zinc/55/73/78/628557378.db2.gz OZDRDABIOHROOJ-OAHLLOKOSA-N 0 1 295.329 2.902 20 30 CFEDMN COc1cccc(N=NCc2c(C)cc(OC)nc2C)n1 ZINC000781595347 628563336 /nfs/dbraw/zinc/56/33/36/628563336.db2.gz PFZVJARTSXHGCD-UHFFFAOYSA-N 0 1 286.335 2.557 20 30 CFEDMN N#CCC1CCN(C[C@H](O)c2cc(F)ccc2F)CC1 ZINC000782088402 628603710 /nfs/dbraw/zinc/60/37/10/628603710.db2.gz KNAYQCYYXISIIY-HNNXBMFYSA-N 0 1 280.318 2.624 20 30 CFEDMN Cc1nc(F)ccc1CN=Nc1ccccc1[N+](=O)[O-] ZINC000782110307 628605607 /nfs/dbraw/zinc/60/56/07/628605607.db2.gz HIILEIIBQCWZJN-UHFFFAOYSA-N 0 1 274.255 2.883 20 30 CFEDMN Clc1csc(C=NNc2ncnc3nc[nH]c32)c1 ZINC000782206010 628614144 /nfs/dbraw/zinc/61/41/44/628614144.db2.gz NXVZINBYLZUPJO-UHFFFAOYSA-N 0 1 278.728 2.514 20 30 CFEDMN Clc1csc(C=NNCCN2CCCCC2)c1 ZINC000782203438 628614462 /nfs/dbraw/zinc/61/44/62/628614462.db2.gz QODBDMMXTHGETJ-UHFFFAOYSA-N 0 1 271.817 2.811 20 30 CFEDMN COc1cc(C(C)N=Nc2cnnc3ccccc23)ccn1 ZINC000782233042 628618219 /nfs/dbraw/zinc/61/82/19/628618219.db2.gz UQLBQIBTLKPRAZ-UHFFFAOYSA-N 0 1 293.330 2.870 20 30 CFEDMN Nc1nc(=NN=Cc2sccc2Cl)cc(Cl)[nH]1 ZINC000782266592 628621068 /nfs/dbraw/zinc/62/10/68/628621068.db2.gz BAYPQPUIBOVRKR-UHFFFAOYSA-N 0 1 288.163 2.873 20 30 CFEDMN Nc1nc(Cl)cc(NN=Cc2sccc2Cl)n1 ZINC000782266592 628621069 /nfs/dbraw/zinc/62/10/69/628621069.db2.gz BAYPQPUIBOVRKR-UHFFFAOYSA-N 0 1 288.163 2.873 20 30 CFEDMN CC1(C)CCC[C@@H]1NN=Cc1cc(O)ccc1[N+](=O)[O-] ZINC000782287121 628624277 /nfs/dbraw/zinc/62/42/77/628624277.db2.gz JXVUDZCADYCCPV-ZDUSSCGKSA-N 0 1 277.324 2.803 20 30 CFEDMN Cc1nc(F)ccc1/C=C\C(=O)c1ccc(O)cc1O ZINC000782342909 628630477 /nfs/dbraw/zinc/63/04/77/628630477.db2.gz SQWQSUQYDYIQCK-KXFIGUGUSA-N 0 1 273.263 2.836 20 30 CFEDMN CO[C@@H](C)CCC(=O)[C@@H](C#N)c1nc2cccc(C)c2[nH]1 ZINC000782600231 628646958 /nfs/dbraw/zinc/64/69/58/628646958.db2.gz HLEPTZHDIOPSEN-NWDGAFQWSA-N 0 1 285.347 2.863 20 30 CFEDMN CC(C)(C)CCNN=Cc1ccc(N2CCOCC2)s1 ZINC000782903558 628662424 /nfs/dbraw/zinc/66/24/24/628662424.db2.gz XMVLKKLMDNNQRR-UHFFFAOYSA-N 0 1 295.452 2.944 20 30 CFEDMN C[C@H](NCc1ccc(C#N)cn1)c1ccc2c(c1)COC2 ZINC000783301074 628699060 /nfs/dbraw/zinc/69/90/60/628699060.db2.gz SOBCCCFJOMVNHX-LBPRGKRZSA-N 0 1 279.343 2.834 20 30 CFEDMN C=CCS(=O)(=O)CCN[C@H](C)c1cc(C)c(F)c(C)c1 ZINC000783536915 628719074 /nfs/dbraw/zinc/71/90/74/628719074.db2.gz RNGIZQPJSIKWDB-CYBMUJFWSA-N 0 1 299.411 2.694 20 30 CFEDMN C[C@H](C#N)Oc1ccc(CN2C[C@H](C)O[C@H](C)[C@@H]2C)cc1 ZINC000783738933 628740501 /nfs/dbraw/zinc/74/05/01/628740501.db2.gz ZKTQYRQFPYNMFV-CBBWQLFWSA-N 0 1 288.391 2.975 20 30 CFEDMN C=C(C)CNCc1cc2c(C)nn(C)c2nc1Cl ZINC000783752337 628741511 /nfs/dbraw/zinc/74/15/11/628741511.db2.gz BPPXGQWVKGTDGV-UHFFFAOYSA-N 0 1 264.760 2.596 20 30 CFEDMN C[C@@H]1CCC(=NNCCN2CCCCC2)[C@@H](C)C1 ZINC000783826213 628748086 /nfs/dbraw/zinc/74/80/86/628748086.db2.gz BBVRNIMAWPTNIL-KGLIPLIRSA-N 0 1 251.418 2.874 20 30 CFEDMN Cc1ccc(N=NC2CCOc3c(F)ccc(F)c32)nn1 ZINC000783841230 628749084 /nfs/dbraw/zinc/74/90/84/628749084.db2.gz HVNZIXAZCVETTD-UHFFFAOYSA-N 0 1 290.273 2.662 20 30 CFEDMN Cc1nn(-c2ccncc2)cc1C=NOCc1cccnc1 ZINC000783856877 628750145 /nfs/dbraw/zinc/75/01/45/628750145.db2.gz MKZHKGQLJCVYDD-UHFFFAOYSA-N 0 1 293.330 2.521 20 30 CFEDMN CC(C)(C#N)CCCOC(=O)c1cccc(-c2nnc[nH]2)c1 ZINC000784472269 628819962 /nfs/dbraw/zinc/81/99/62/628819962.db2.gz NIPIHYLWIJTDCP-UHFFFAOYSA-N 0 1 298.346 2.958 20 30 CFEDMN CC[C@H](C)CCCCC(=O)C(C#N)C(=O)NC1CC1 ZINC000784827838 628844333 /nfs/dbraw/zinc/84/43/33/628844333.db2.gz ABHSSCBYUXLDHN-AAEUAGOBSA-N 0 1 264.369 2.580 20 30 CFEDMN N#Cc1cc(F)ccc1COC(=O)c1cccc2[nH]ncc21 ZINC000785591361 628895977 /nfs/dbraw/zinc/89/59/77/628895977.db2.gz HLQKWIGGBYBHQR-UHFFFAOYSA-N 0 1 295.273 2.931 20 30 CFEDMN C=C[C@@H]1CCCCN1CC(=O)NCCCCCC ZINC000785997012 628928885 /nfs/dbraw/zinc/92/88/85/628928885.db2.gz JGXSNKOINLCJDV-CQSZACIVSA-N 0 1 252.402 2.723 20 30 CFEDMN N#C[C@@H](C(=O)[C@@H]1CCCOCC1)c1cnc2ccccc2n1 ZINC000786521305 628965385 /nfs/dbraw/zinc/96/53/85/628965385.db2.gz UTJVCEAUSNBOCJ-CHWSQXEVSA-N 0 1 295.342 2.623 20 30 CFEDMN CC(C)CC(=O)C(C#N)C(=O)NCc1cccc(Cl)c1 ZINC000786547447 628967973 /nfs/dbraw/zinc/96/79/73/628967973.db2.gz RZDDJQVXBZXRKV-CYBMUJFWSA-N 0 1 292.766 2.711 20 30 CFEDMN Cc1cccc(CNC(=O)C(C#N)C(=O)CC2CCC2)c1 ZINC000786549532 628968425 /nfs/dbraw/zinc/96/84/25/628968425.db2.gz RNFGKGSXCGKWIQ-HNNXBMFYSA-N 0 1 284.359 2.510 20 30 CFEDMN C=CCN(Cc1cc(Br)nn1C)C(C)C ZINC000787103904 628993749 /nfs/dbraw/zinc/99/37/49/628993749.db2.gz QYSMJXDHRNOCRO-UHFFFAOYSA-N 0 1 272.190 2.579 20 30 CFEDMN C=CCNC(=S)Nc1cccc2c1OCC[C@H]2N(C)C ZINC000788344021 629060305 /nfs/dbraw/zinc/06/03/05/629060305.db2.gz ISPVTSNEADTWME-CYBMUJFWSA-N 0 1 291.420 2.544 20 30 CFEDMN NC(=O)c1ccccc1CN=Nc1cccc(F)c1F ZINC000788716690 629094200 /nfs/dbraw/zinc/09/42/00/629094200.db2.gz IUASWZXDQZBWOD-UHFFFAOYSA-N 0 1 275.258 2.510 20 30 CFEDMN COc1ccc2nc(CN=Nc3cc(C)ncn3)sc2c1 ZINC000788715897 629094542 /nfs/dbraw/zinc/09/45/42/629094542.db2.gz UTGFFGJRDAMYST-UHFFFAOYSA-N 0 1 299.359 2.849 20 30 CFEDMN C[C@H](C=Nn1cnnc1)c1ccc(C(F)(F)F)cc1 ZINC000788928171 629109887 /nfs/dbraw/zinc/10/98/87/629109887.db2.gz ATHFBXPWWSVIEA-SECBINFHSA-N 0 1 268.242 2.935 20 30 CFEDMN CCC(N=Nc1cccc([N+](=O)[O-])c1)c1cn[nH]c1 ZINC000788950040 629110083 /nfs/dbraw/zinc/11/00/83/629110083.db2.gz CJUFAVCSOSCANQ-UHFFFAOYSA-N 0 1 259.269 2.544 20 30 CFEDMN Cc1ccc2nc(CN=Nc3cccc([N+](=O)[O-])c3)cn2c1 ZINC000788950332 629110347 /nfs/dbraw/zinc/11/03/47/629110347.db2.gz IPOQEIUFFLIMOO-UHFFFAOYSA-N 0 1 295.302 2.997 20 30 CFEDMN O=C(CCCCc1cn[nH]n1)OCCC#Cc1ccccc1 ZINC000789801932 629189137 /nfs/dbraw/zinc/18/91/37/629189137.db2.gz AFCBFRAIJNUMAV-UHFFFAOYSA-N 0 1 297.358 2.503 20 30 CFEDMN CCN(C)c1ccc(C=[NH+]Nc2ccccc2C(=O)[O-])cn1 ZINC000790148513 629213561 /nfs/dbraw/zinc/21/35/61/629213561.db2.gz ALIHHBMQPQJMGO-UHFFFAOYSA-N 0 1 298.346 2.682 20 30 CFEDMN CC(N=Nc1ccc(Cl)c(F)c1)c1ccc(=O)[nH]n1 ZINC000790167005 629215142 /nfs/dbraw/zinc/21/51/42/629215142.db2.gz GZGWUJAXTFGDRO-UHFFFAOYSA-N 0 1 280.690 2.811 20 30 CFEDMN COCC(N=Nc1ccc(OC)cn1)c1ccccc1 ZINC000790175667 629216257 /nfs/dbraw/zinc/21/62/57/629216257.db2.gz HHGGRHACSSHTJM-UHFFFAOYSA-N 0 1 271.320 2.553 20 30 CFEDMN CCN(C)c1ccc(C=NNC2CCCCC2)cn1 ZINC000790174486 629216395 /nfs/dbraw/zinc/21/63/95/629216395.db2.gz QKESBSVYLAAABG-UHFFFAOYSA-N 0 1 260.385 2.794 20 30 CFEDMN COc1cc(CN=Nc2ncccc2C)ccc1O ZINC000790185784 629217481 /nfs/dbraw/zinc/21/74/81/629217481.db2.gz JGRCUKWFNMGRBZ-UHFFFAOYSA-N 0 1 257.293 2.550 20 30 CFEDMN Cc1cccnc1NN=Cc1ccc(-n2cncn2)c(C)c1 ZINC000790188307 629217521 /nfs/dbraw/zinc/21/75/21/629217521.db2.gz XHCXYTYVBOWXHQ-UHFFFAOYSA-N 0 1 292.346 2.725 20 30 CFEDMN Cc1cccnc1NN=Cc1ccc2c(c1)CCC(=O)N2C ZINC000790194123 629218726 /nfs/dbraw/zinc/21/87/26/629218726.db2.gz WMZSYQZQGCVSEE-UHFFFAOYSA-N 0 1 294.358 2.745 20 30 CFEDMN CCOc1cccc(CN=Nc2ncccc2C)c1O ZINC000790193752 629218912 /nfs/dbraw/zinc/21/89/12/629218912.db2.gz LHBPMAARKSLOON-UHFFFAOYSA-N 0 1 271.320 2.940 20 30 CFEDMN Cc1cc(C(C)N=Nc2cnnc3ccccc23)no1 ZINC000790296874 629226220 /nfs/dbraw/zinc/22/62/20/629226220.db2.gz IPRVWKMNZATCHW-UHFFFAOYSA-N 0 1 267.292 2.762 20 30 CFEDMN CC(=NNc1nccn1C)c1ccc([N+](=O)[O-])cc1Cl ZINC000790302387 629228150 /nfs/dbraw/zinc/22/81/50/629228150.db2.gz RVSWQRUYJAARSG-UHFFFAOYSA-N 0 1 293.714 2.818 20 30 CFEDMN Cn1ccnc1NN=Cc1ccc(Br)s1 ZINC000790305630 629228800 /nfs/dbraw/zinc/22/88/00/629228800.db2.gz LKAQPLHGRNDYFI-UHFFFAOYSA-N 0 1 285.170 2.690 20 30 CFEDMN N#CC[C@@H]1CCCN(C[C@@H](O)c2cccc(Cl)c2)C1 ZINC000852318819 634719102 /nfs/dbraw/zinc/71/91/02/634719102.db2.gz CCFOJIHDNYSDIG-SWLSCSKDSA-N 0 1 278.783 2.999 20 30 CFEDMN C#C[C@H](CCC)N[C@H](CCCC)C(=O)Nc1cc(C)on1 ZINC000790546859 629247239 /nfs/dbraw/zinc/24/72/39/629247239.db2.gz QHTUGMFMNIEZPG-ZIAGYGMSSA-N 0 1 291.395 2.872 20 30 CFEDMN C[Si](C)(C)CN1CCC[C@@](C#N)(c2ccccn2)C1 ZINC000852328335 634722526 /nfs/dbraw/zinc/72/25/26/634722526.db2.gz CDHRITZCIIGPLO-HNNXBMFYSA-N 0 1 273.456 2.816 20 30 CFEDMN N#C[C@@]1(c2ccccn2)CCCN(C[C@@H]2C[C@H]3C[C@H]3C2)C1 ZINC000852331070 634723570 /nfs/dbraw/zinc/72/35/70/634723570.db2.gz JFLUJXKFKRKEDE-DFGXFYAUSA-N 0 1 281.403 2.985 20 30 CFEDMN CCC[C@@H]1CCC[C@@H]1C(=O)C(C#N)C(=O)N1CCCC1 ZINC000835059066 629361060 /nfs/dbraw/zinc/36/10/60/629361060.db2.gz WKDQAOICURYSTJ-HZSPNIEDSA-N 0 1 276.380 2.534 20 30 CFEDMN CC[C@@H]1C[C@H]1C(=O)C(C#N)C(=O)Nc1cccc(C)c1 ZINC000835064076 629365631 /nfs/dbraw/zinc/36/56/31/629365631.db2.gz UETXIGPVVVXJAS-BNOWGMLFSA-N 0 1 270.332 2.689 20 30 CFEDMN CC[C@@H]1CCC[C@@H]1C(=O)[C@@H](C#N)C(=O)NC1CCCCC1 ZINC000835063861 629366347 /nfs/dbraw/zinc/36/63/47/629366347.db2.gz RMOWIRVOHDRGOY-VHDGCEQUSA-N 0 1 290.407 2.970 20 30 CFEDMN N#CC(C(=O)CC1CC(F)(F)C1)C(=O)Nc1ccccc1 ZINC000835062601 629367119 /nfs/dbraw/zinc/36/71/19/629367119.db2.gz DPEKADXYHRTMHJ-GFCCVEGCSA-N 0 1 292.285 2.769 20 30 CFEDMN CC[C@@H]1CCC[C@H]1C(=O)C(C#N)C(=O)Nc1ccccn1 ZINC000835076878 629374625 /nfs/dbraw/zinc/37/46/25/629374625.db2.gz MGAFYIBQFGAQDY-UPJWGTAASA-N 0 1 285.347 2.555 20 30 CFEDMN CC[C@@H]1CC[C@H](C(=O)C(C#N)c2cnc3ccccc3n2)O1 ZINC000792109900 629398211 /nfs/dbraw/zinc/39/82/11/629398211.db2.gz WOVYRRSCEXTBOA-BFQNTYOBSA-N 0 1 295.342 2.764 20 30 CFEDMN N#C[C@@H](C(=O)C1CCC(=O)CC1)c1cnc2ccccc2n1 ZINC000792104756 629398231 /nfs/dbraw/zinc/39/82/31/629398231.db2.gz RLFMNJRAPAVAGR-CYBMUJFWSA-N 0 1 293.326 2.565 20 30 CFEDMN C[C@@H](C#N)CN(C)Cc1c(O)ccc(Cl)c1F ZINC000792167306 629404132 /nfs/dbraw/zinc/40/41/32/629404132.db2.gz LARKCQZTMOOVID-QMMMGPOBSA-N 0 1 256.708 2.776 20 30 CFEDMN N#C[C@@]1(F)CCN(Cc2c(O)ccc(Cl)c2F)C1 ZINC000792181198 629406393 /nfs/dbraw/zinc/40/63/93/629406393.db2.gz XVSNWRIIKWTIEE-LBPRGKRZSA-N 0 1 272.682 2.622 20 30 CFEDMN C=CCN(CCOC)Cc1cncc2ccccc21 ZINC000792192164 629407539 /nfs/dbraw/zinc/40/75/39/629407539.db2.gz GIWJAQFHVUWQRI-UHFFFAOYSA-N 0 1 256.349 2.869 20 30 CFEDMN C#Cc1ccc(CN=Nc2ccccc2C(=O)OC)cc1 ZINC000792634910 629440603 /nfs/dbraw/zinc/44/06/03/629440603.db2.gz LENDAUUKWTZHHV-UHFFFAOYSA-N 0 1 278.311 2.901 20 30 CFEDMN C=CC[C@@H]1CCC[N@@H+](Cc2cnc(C3OCCO3)s2)C1 ZINC000852410280 634740457 /nfs/dbraw/zinc/74/04/57/634740457.db2.gz KYSCTLQSZZVAEK-GFCCVEGCSA-N 0 1 294.420 2.977 20 30 CFEDMN C=CC[C@@H]1CCCN(Cc2cnc(C3OCCO3)s2)C1 ZINC000852410280 634740461 /nfs/dbraw/zinc/74/04/61/634740461.db2.gz KYSCTLQSZZVAEK-GFCCVEGCSA-N 0 1 294.420 2.977 20 30 CFEDMN COc1cc(C)nc(C=NNc2cccc(Cl)n2)c1 ZINC000793173607 629498516 /nfs/dbraw/zinc/49/85/16/629498516.db2.gz BQXBHBQGJCDKAY-UHFFFAOYSA-N 0 1 276.727 2.893 20 30 CFEDMN Clc1cccc(NN=Cc2cc(-c3cccnc3)n[nH]2)n1 ZINC000793173401 629498782 /nfs/dbraw/zinc/49/87/82/629498782.db2.gz ACSBYFYKOGHYHT-UHFFFAOYSA-N 0 1 298.737 2.966 20 30 CFEDMN Clc1cccc(NN=Cc2cc(-c3cccnc3)[nH]n2)n1 ZINC000793173401 629498784 /nfs/dbraw/zinc/49/87/84/629498784.db2.gz ACSBYFYKOGHYHT-UHFFFAOYSA-N 0 1 298.737 2.966 20 30 CFEDMN COc1cccc(O)c1C=NNc1cccc(Cl)n1 ZINC000793174634 629498851 /nfs/dbraw/zinc/49/88/51/629498851.db2.gz LXFFQINXEODMRK-UHFFFAOYSA-N 0 1 277.711 2.895 20 30 CFEDMN C=C[C@H](CC)OC(=O)c1cccc(-c2nnc[nH]2)c1 ZINC000793187643 629501305 /nfs/dbraw/zinc/50/13/05/629501305.db2.gz VPEUXADJHWXGRL-GFCCVEGCSA-N 0 1 257.293 2.593 20 30 CFEDMN CC#CCCCCOC(=O)c1ccc(-c2nnc[nH]2)cc1 ZINC000793222486 629508190 /nfs/dbraw/zinc/50/81/90/629508190.db2.gz MEELXJVLJYPGIU-UHFFFAOYSA-N 0 1 283.331 2.822 20 30 CFEDMN C=C[C@@](C)(CCOC)COC(=O)c1ccc2cncn2c1 ZINC000793277496 629518156 /nfs/dbraw/zinc/51/81/56/629518156.db2.gz GXWJWGVKRRGSQW-INIZCTEOSA-N 0 1 288.347 2.720 20 30 CFEDMN C[C@@H]1COC2(CCC2)CN1Cc1ccc(OCC#N)cc1 ZINC000852441406 634746711 /nfs/dbraw/zinc/74/67/11/634746711.db2.gz NZMZGFOQRIMKHD-CQSZACIVSA-N 0 1 286.375 2.732 20 30 CFEDMN CC[C@@](C)(CC(=O)OC)NCc1cccc(F)c1C#N ZINC000794433374 629645889 /nfs/dbraw/zinc/64/58/89/629645889.db2.gz WHEGPYIZJBXTCI-HNNXBMFYSA-N 0 1 278.327 2.519 20 30 CFEDMN CC[C@](C)(CC(=O)OC)NCc1cccc(F)c1C#N ZINC000794433375 629646188 /nfs/dbraw/zinc/64/61/88/629646188.db2.gz WHEGPYIZJBXTCI-OAHLLOKOSA-N 0 1 278.327 2.519 20 30 CFEDMN C#C[C@H](NC[C@H](OC(C)C)c1ccccc1)[C@@H]1CCCO1 ZINC000794498640 629651024 /nfs/dbraw/zinc/65/10/24/629651024.db2.gz MMOCWLITHKTZEJ-BZSNNMDCSA-N 0 1 287.403 2.923 20 30 CFEDMN CSCCON=Cc1cc(Cl)cc(F)c1O ZINC000794572878 629662567 /nfs/dbraw/zinc/66/25/67/629662567.db2.gz KBFNBPBFKWOMFH-UHFFFAOYSA-N 0 1 263.721 2.898 20 30 CFEDMN COC(=O)c1csc(C(C)N=Nc2ccc(F)cn2)c1 ZINC000794908820 629702759 /nfs/dbraw/zinc/70/27/59/629702759.db2.gz LLCULYBZMHANFM-UHFFFAOYSA-N 0 1 293.323 2.905 20 30 CFEDMN CC(=NNc1ncccc1C)c1ccccc1-n1ccnn1 ZINC000794939558 629707485 /nfs/dbraw/zinc/70/74/85/629707485.db2.gz KXGZIDMTMLDNJH-UHFFFAOYSA-N 0 1 292.346 2.807 20 30 CFEDMN Fc1ccc2oc(CN=Nc3cncnc3)cc2c1 ZINC000794977105 629714303 /nfs/dbraw/zinc/71/43/03/629714303.db2.gz VVTHLZMPNBTPPZ-UHFFFAOYSA-N 0 1 256.240 2.808 20 30 CFEDMN Cc1ccc(C=NNc2cncnc2)cc1Br ZINC000794979432 629715897 /nfs/dbraw/zinc/71/58/97/629715897.db2.gz HDIRZHWQRZHKNO-UHFFFAOYSA-N 0 1 291.152 2.994 20 30 CFEDMN CC(=[NH+][N-]c1ncccc1F)c1ccc(N)c([N+](=O)[O-])c1 ZINC000794982785 629717086 /nfs/dbraw/zinc/71/70/86/629717086.db2.gz BJQGKDQSOCYEJS-UHFFFAOYSA-N 0 1 289.270 2.547 20 30 CFEDMN COCCCON=C1CN(Cc2ccccc2)C[C@H]1C ZINC000795048126 629729238 /nfs/dbraw/zinc/72/92/38/629729238.db2.gz HTHHDEOUFABNRF-CQSZACIVSA-N 0 1 276.380 2.547 20 30 CFEDMN N#Cc1ccc(CN[C@H](c2cccnc2)C2CCC2)nc1 ZINC000795816589 629837235 /nfs/dbraw/zinc/83/72/35/629837235.db2.gz JYSGHDPWFVFYTA-KRWDZBQOSA-N 0 1 278.359 2.979 20 30 CFEDMN N#CC(C(=O)NC1CCCCC1)C(=O)[C@H]1CCC(F)(F)C1 ZINC000796632994 629942968 /nfs/dbraw/zinc/94/29/68/629942968.db2.gz MHXURYICTHLYIT-JQWIXIFHSA-N 0 1 298.333 2.580 20 30 CFEDMN Cc1cccc2nc([C@H](C#N)C(=O)C[C@@H]3CCCOC3)[nH]c21 ZINC000796719956 629954929 /nfs/dbraw/zinc/95/49/29/629954929.db2.gz RIPNCTJCFAAPHS-QWHCGFSZSA-N 0 1 297.358 2.864 20 30 CFEDMN COc1ccccc1-n1nccc1C=NNc1ccccn1 ZINC000797399494 630060963 /nfs/dbraw/zinc/06/09/63/630060963.db2.gz DNROZFMTLKVWMC-UHFFFAOYSA-N 0 1 293.330 2.722 20 30 CFEDMN C#C[C@H](N[C@H]1CCc2cc(F)c(OC)cc21)[C@H]1CCCO1 ZINC000798932695 630263251 /nfs/dbraw/zinc/26/32/51/630263251.db2.gz NGNFXPGBXMZKKY-HRCADAONSA-N 0 1 289.350 2.592 20 30 CFEDMN CC(C)(CO)CNN=Cc1cc(Cl)c(O)cc1Cl ZINC000799116082 630277502 /nfs/dbraw/zinc/27/75/02/630277502.db2.gz BANWKRRYWDLDAS-UHFFFAOYSA-N 0 1 291.178 2.641 20 30 CFEDMN C(#Cc1ccccc1)CN1CC[C@H](c2ccccn2)C1 ZINC000799190276 630285273 /nfs/dbraw/zinc/28/52/73/630285273.db2.gz NWZYXUFFDIUMRZ-KRWDZBQOSA-N 0 1 262.356 2.923 20 30 CFEDMN FC(F)(F)c1cc(C=NNc2ccc(Cl)nc2)[nH]n1 ZINC000799480893 630312998 /nfs/dbraw/zinc/31/29/98/630312998.db2.gz AHZTUPHLUQDFTO-UHFFFAOYSA-N 0 1 289.648 2.923 20 30 CFEDMN Cc1cc(C(C)N=Nc2ccc(F)cc2F)nn1C ZINC000799865031 630349486 /nfs/dbraw/zinc/34/94/86/630349486.db2.gz VJHNQFVHDDXNRD-UHFFFAOYSA-N 0 1 264.279 2.843 20 30 CFEDMN C[C@@H]1C[C@H](C)[C@@H](C(=O)C(C#N)c2cnc3ccccc3n2)O1 ZINC000800410560 630380144 /nfs/dbraw/zinc/38/01/44/630380144.db2.gz ZJPPTQBAPLVWLO-AEMSQSNESA-N 0 1 295.342 2.620 20 30 CFEDMN CCCCCCCCCN1CC[C@@H](S(C)(=O)=O)C1 ZINC000800466699 630383534 /nfs/dbraw/zinc/38/35/34/630383534.db2.gz FLTQLPGZEVFEGD-CQSZACIVSA-N 0 1 275.458 2.856 20 30 CFEDMN COC(=O)c1c(F)cccc1NN=C(C)c1ccccn1 ZINC000800817414 630408182 /nfs/dbraw/zinc/40/81/82/630408182.db2.gz LVUGUSKAPFNSLW-UHFFFAOYSA-N 0 1 287.294 2.843 20 30 CFEDMN COC(=O)c1c(F)cccc1N=NC(C)c1cc(C)on1 ZINC000800817185 630408228 /nfs/dbraw/zinc/40/82/28/630408228.db2.gz IYBWKFWICUDZIL-UHFFFAOYSA-N 0 1 291.282 2.745 20 30 CFEDMN C[C@H](C#N)OCCN1CCc2cc(F)ccc2[C@H]1C ZINC000801923064 630488522 /nfs/dbraw/zinc/48/85/22/630488522.db2.gz XWCUHRMCBKCMGL-VXGBXAGGSA-N 0 1 262.328 2.673 20 30 CFEDMN CCC(CC)CN(CCC#N)CCO[C@H](C)C#N ZINC000801924878 630489619 /nfs/dbraw/zinc/48/96/19/630489619.db2.gz XIZQJWUUFGKIPR-CYBMUJFWSA-N 0 1 251.374 2.567 20 30 CFEDMN C#CCn1ccc(CN(CCOC)C[C@H](C)C(C)(C)C)n1 ZINC000802650795 630535228 /nfs/dbraw/zinc/53/52/28/630535228.db2.gz AMEMBMVTBAIJAR-HNNXBMFYSA-N 0 1 291.439 2.647 20 30 CFEDMN C#CCCN(CCOC)Cc1ccc(C(C)C)nc1C ZINC000852748568 634822987 /nfs/dbraw/zinc/82/29/87/634822987.db2.gz DJEHNDHJEUEKEQ-UHFFFAOYSA-N 0 1 274.408 2.985 20 30 CFEDMN CCc1ccc2occ(C(=O)N=C3C[C@H](C)ON3)c2c1 ZINC000802932804 630567475 /nfs/dbraw/zinc/56/74/75/630567475.db2.gz KDXOAVFPMLRHAO-VIFPVBQESA-N 0 1 272.304 2.847 20 30 CFEDMN C#CCCN(CCOC)Cc1cccc2c1OC(C)(C)C2 ZINC000852749153 634823538 /nfs/dbraw/zinc/82/35/38/634823538.db2.gz QIZIGKSFCAGQSR-UHFFFAOYSA-N 0 1 287.403 2.872 20 30 CFEDMN C=CCN1CCN(CN(C)C[C@H](C)c2ccccc2)C1=O ZINC000839988587 630579649 /nfs/dbraw/zinc/57/96/49/630579649.db2.gz PJPDHRUEQVNVIK-HNNXBMFYSA-N 0 1 287.407 2.603 20 30 CFEDMN C=CCN1CCN(CN2CC[C@H](c3cccc(C)c3)C2)C1=O ZINC000840045904 630680975 /nfs/dbraw/zinc/68/09/75/630680975.db2.gz JQDUHKZCGZCEDF-KRWDZBQOSA-N 0 1 299.418 2.665 20 30 CFEDMN CCCCN1C(=O)N=NC1SCC1(C#N)CCCC1 ZINC000806586414 630817335 /nfs/dbraw/zinc/81/73/35/630817335.db2.gz YYMVVGDAWXESEK-UHFFFAOYSA-N 0 1 280.397 2.960 20 30 CFEDMN C#C[C@@H](NC(=O)[C@H](c1ccccc1)N(C)CC)C(C)(C)C ZINC000807884710 630920008 /nfs/dbraw/zinc/92/00/08/630920008.db2.gz VFPJXKPYVYNSAY-CVEARBPZSA-N 0 1 286.419 2.844 20 30 CFEDMN COCCOCc1ccc(C=NNc2ccccn2)cc1 ZINC000807949032 630925128 /nfs/dbraw/zinc/92/51/28/630925128.db2.gz BPMNROWIOGMNLD-UHFFFAOYSA-N 0 1 285.347 2.691 20 30 CFEDMN FC(F)(F)c1cc(CN=Nc2ccncc2Cl)c[nH]1 ZINC000807976873 630928768 /nfs/dbraw/zinc/92/87/68/630928768.db2.gz CEWZOCIRYRRSBI-UHFFFAOYSA-N 0 1 288.660 2.950 20 30 CFEDMN Fc1cc(C=NNc2ncnc3ccsc32)c(F)cn1 ZINC000807977947 630929098 /nfs/dbraw/zinc/92/90/98/630929098.db2.gz FDLJISCHXPVIBN-UHFFFAOYSA-N 0 1 291.286 2.811 20 30 CFEDMN FC(F)(F)c1ccc(CN=Nc2ccncc2Cl)[nH]1 ZINC000807977237 630929113 /nfs/dbraw/zinc/92/91/13/630929113.db2.gz HJYZEXCYEIKONT-UHFFFAOYSA-N 0 1 288.660 2.950 20 30 CFEDMN CC(=NNc1cncnc1)c1cc(Cl)cc(C)c1O ZINC000807988289 630931457 /nfs/dbraw/zinc/93/14/57/630931457.db2.gz SEODFJYLDFTRNS-UHFFFAOYSA-N 0 1 276.727 2.980 20 30 CFEDMN C[C@H]1CC(N=Nc2nccnc2C2CCC2)CN1C1CC1 ZINC000807994508 630934035 /nfs/dbraw/zinc/93/40/35/630934035.db2.gz UFRTVCFOYIEFSX-NSHDSACASA-N 0 1 285.395 2.769 20 30 CFEDMN N#Cc1cc(NCc2cc(Cl)cc(Cl)c2O)ncn1 ZINC000808089579 630949344 /nfs/dbraw/zinc/94/93/44/630949344.db2.gz URTSLHOGZMOQTF-UHFFFAOYSA-N 0 1 295.129 2.973 20 30 CFEDMN CN(C)Cc1cc(CNC(=O)C#CC(C)(C)C)ccc1F ZINC000837421708 631025460 /nfs/dbraw/zinc/02/54/60/631025460.db2.gz OJDGEWKXVFNNKH-UHFFFAOYSA-N 0 1 290.382 2.553 20 30 CFEDMN C=C[C@@](C)(CC)C(=O)OCc1cc(O)ccc1[N+](=O)[O-] ZINC000837659992 631100370 /nfs/dbraw/zinc/10/03/70/631100370.db2.gz ZZZGTJNSICSVOI-AWEZNQCLSA-N 0 1 279.292 2.946 20 30 CFEDMN C#Cc1ccc(CN(C)C2(C(=O)OC)CCCCC2)cc1 ZINC000809575249 631238721 /nfs/dbraw/zinc/23/87/21/631238721.db2.gz WYPQNINRZVVYDX-UHFFFAOYSA-N 0 1 285.387 2.976 20 30 CFEDMN C#Cc1ccc(CNCc2cn3cc(C)ccc3n2)cc1 ZINC000809616817 631247026 /nfs/dbraw/zinc/24/70/26/631247026.db2.gz ZVQKVJSMGGPBEM-UHFFFAOYSA-N 0 1 275.355 2.914 20 30 CFEDMN C#Cc1ccc(CN[C@@H](CO)c2ccsc2)cc1 ZINC000809644811 631254437 /nfs/dbraw/zinc/25/44/37/631254437.db2.gz XERAOJMPKBIREH-HNNXBMFYSA-N 0 1 257.358 2.553 20 30 CFEDMN C#C[C@@H](C)NCc1cnc2c(C)cc(Br)cn12 ZINC000809683669 631261921 /nfs/dbraw/zinc/26/19/21/631261921.db2.gz JJJCOBQROSKCIS-SNVBAGLBSA-N 0 1 292.180 2.517 20 30 CFEDMN C#Cc1ccc(CN2CC[C@@H](C(F)(F)F)[C@@H](CO)C2)cc1 ZINC000809697179 631266658 /nfs/dbraw/zinc/26/66/58/631266658.db2.gz DCEBJLLFNNDQHR-HUUCEWRRSA-N 0 1 297.320 2.661 20 30 CFEDMN N#CC(C(=O)C12CC(C(F)(F)F)(C1)C2)c1ccccn1 ZINC000810528055 631382344 /nfs/dbraw/zinc/38/23/44/631382344.db2.gz PXXOZCGHZCFODG-ALXWSUNGSA-N 0 1 280.249 2.990 20 30 CFEDMN C#CCC(C)(C)C(=O)O[C@H]1CCN(Cc2ccccc2)C1 ZINC000810588993 631397055 /nfs/dbraw/zinc/39/70/55/631397055.db2.gz XKSRKVOZNVQQSY-INIZCTEOSA-N 0 1 285.387 2.854 20 30 CFEDMN CCCCCCCCC(=O)N1C[C@H](C)N(CCO)C[C@H]1C ZINC000841455936 631408324 /nfs/dbraw/zinc/40/83/24/631408324.db2.gz XZWBZRXLUBOFTQ-JKSUJKDBSA-N 0 1 298.471 2.651 20 30 CFEDMN C[C@H](OC(=O)[C@@]1(F)CCN(C(C)(C)C)C1)C(C)(C)C#N ZINC000810640455 631414520 /nfs/dbraw/zinc/41/45/20/631414520.db2.gz XTVPWTYPSGPNCY-XHDPSFHLSA-N 0 1 284.375 2.680 20 30 CFEDMN CC(C)(C)N1CC[C@](F)(C(=O)OCC2(C#N)CCCC2)C1 ZINC000810660226 631421018 /nfs/dbraw/zinc/42/10/18/631421018.db2.gz LNYIFKVLZTWGFP-MRXNPFEDSA-N 0 1 296.386 2.826 20 30 CFEDMN CN(Cn1cccc(C#N)c1=O)[C@H]1CCC[C@H]1C(C)(C)C ZINC000841688748 631450982 /nfs/dbraw/zinc/45/09/82/631450982.db2.gz GRSJDBCONUYXNN-CABCVRRESA-N 0 1 287.407 2.824 20 30 CFEDMN C[C@@H]1[C@H](C)CN(Cn2cc3c(c(C#N)c2=O)CCCC3)[C@H]1C ZINC000841688155 631451783 /nfs/dbraw/zinc/45/17/83/631451783.db2.gz CMBBHPHZDMXVMY-MCIONIFRSA-N 0 1 299.418 2.533 20 30 CFEDMN CC(C)(C)OC(=O)N[C@H]1CCC[C@H]1NCC1(C#N)CCC1 ZINC000841897927 631490398 /nfs/dbraw/zinc/49/03/98/631490398.db2.gz JGIJWXRZOYXPHP-OLZOCXBDSA-N 0 1 293.411 2.716 20 30 CFEDMN CC(C)(C(=O)NOCC1(C#N)CCC1)c1ccccc1 ZINC000842027423 631505690 /nfs/dbraw/zinc/50/56/90/631505690.db2.gz IKICWAHAFNOZTD-UHFFFAOYSA-N 0 1 272.348 2.706 20 30 CFEDMN COc1ccc(C(C)N=Nc2ccncc2Cl)cc1O ZINC000811643891 631590505 /nfs/dbraw/zinc/59/05/05/631590505.db2.gz MWTRROYZRKEAMG-UHFFFAOYSA-N 0 1 291.738 2.707 20 30 CFEDMN COc1ccc(C(C)=NNc2ncccc2C)cc1O ZINC000811649796 631592608 /nfs/dbraw/zinc/59/26/08/631592608.db2.gz XRHLVCUBZRBQII-UHFFFAOYSA-N 0 1 271.320 2.940 20 30 CFEDMN CC(C)Cn1nccc1C=NNc1nc2ccccc2[nH]1 ZINC000842519452 631650683 /nfs/dbraw/zinc/65/06/83/631650683.db2.gz LJQMOSDSLOXNOK-UHFFFAOYSA-N 0 1 282.351 2.861 20 30 CFEDMN C#CCON=C(C)c1cc(Br)cc(F)c1O ZINC000812232461 631672722 /nfs/dbraw/zinc/67/27/22/631672722.db2.gz ARCHFBIEJCWSAI-UHFFFAOYSA-N 0 1 286.100 2.668 20 30 CFEDMN C#CCON=C1C[C@H](C)CN(Cc2ccccc2)C1 ZINC000812233022 631672908 /nfs/dbraw/zinc/67/29/08/631672908.db2.gz LFSPGNFKABCJEX-AWEZNQCLSA-N 0 1 256.349 2.534 20 30 CFEDMN CC(C)C[C@H](N)c1noc(-c2ccccc2OCC#N)n1 ZINC000842587045 631674370 /nfs/dbraw/zinc/67/43/70/631674370.db2.gz UNDSAQORPLUSDH-LBPRGKRZSA-N 0 1 286.335 2.685 20 30 CFEDMN C[C@H]1CN(c2ccccc2C=NOC2CCC2)CCO1 ZINC000812236988 631674466 /nfs/dbraw/zinc/67/44/66/631674466.db2.gz DKACEIFHRCGDTJ-ZDUSSCGKSA-N 0 1 274.364 2.815 20 30 CFEDMN C#CC[C@H]1CCCN(CN2CC(CC)(CC)OC2=O)C1 ZINC000842629442 631685062 /nfs/dbraw/zinc/68/50/62/631685062.db2.gz MZAITKSAYXDFLF-AWEZNQCLSA-N 0 1 278.396 2.690 20 30 CFEDMN C#CC1CCN(CN2C[C@H](c3ccccc3C)CC2=O)CC1 ZINC000842634633 631687952 /nfs/dbraw/zinc/68/79/52/631687952.db2.gz ZBBRFNCCBFOWPT-QGZVFWFLSA-N 0 1 296.414 2.614 20 30 CFEDMN Cc1nn(C)c(Cl)c1CN=Nc1ccccc1[N+](=O)[O-] ZINC000812486459 631725048 /nfs/dbraw/zinc/72/50/48/631725048.db2.gz PYUDKMDASAGJKX-UHFFFAOYSA-N 0 1 293.714 2.736 20 30 CFEDMN CCCCCCC[N@@H+](CCC(=O)[O-])C1CCOCC1 ZINC000842932830 631785629 /nfs/dbraw/zinc/78/56/29/631785629.db2.gz ADVZCVBEEHKGIP-UHFFFAOYSA-N 0 1 271.401 2.913 20 30 CFEDMN N#CC(C(=O)C=C[C@@H]1CCOC1)c1nc(C2CC2)cs1 ZINC000842942603 631788353 /nfs/dbraw/zinc/78/83/53/631788353.db2.gz LKECGLYWILUQNA-XDAPLIDNSA-N 0 1 288.372 2.789 20 30 CFEDMN N#C[C@H](C(=O)C=C[C@@H]1CCOC1)c1nc(C2CC2)cs1 ZINC000842942603 631788355 /nfs/dbraw/zinc/78/83/55/631788355.db2.gz LKECGLYWILUQNA-XDAPLIDNSA-N 0 1 288.372 2.789 20 30 CFEDMN COC[C@H](C)[C@@H](C)C(=O)[C@@H](C#N)c1nc2cccc(C)c2[nH]1 ZINC000813069732 631825860 /nfs/dbraw/zinc/82/58/60/631825860.db2.gz KYPVLOHNRAYZHZ-YNEHKIRRSA-N 0 1 299.374 2.966 20 30 CFEDMN C#CCN(CC(=O)N(CCC)CCC)C1CCCC1 ZINC000155839038 650034064 /nfs/dbraw/zinc/03/40/64/650034064.db2.gz LEUHYXZZCXADBD-UHFFFAOYSA-N 0 1 264.413 2.513 20 30 CFEDMN N#CC(C(=O)C[C@H]1CCOC1)c1cc(C(F)(F)F)ccn1 ZINC000813213048 631881711 /nfs/dbraw/zinc/88/17/11/631881711.db2.gz IDUJPUGFAQGVOP-MWLCHTKSSA-N 0 1 298.264 2.703 20 30 CFEDMN C[C@@H](C[C@H](O)c1ccco1)NCc1cccc(F)c1C#N ZINC000813337810 631907129 /nfs/dbraw/zinc/90/71/29/631907129.db2.gz VBBVBVDDUKBIEP-NHYWBVRUSA-N 0 1 288.322 2.892 20 30 CFEDMN CCCCCC[C@](C)(CC)C(=O)N[C@H]1CNC[C@H]1C#N ZINC000843460837 631963622 /nfs/dbraw/zinc/96/36/22/631963622.db2.gz QXRCBFOREUNGTF-YCPHGPKFSA-N 0 1 279.428 2.601 20 30 CFEDMN Fc1cc(C=NOCCC2CC2)ccc1N1CCOCC1 ZINC000814245045 632044347 /nfs/dbraw/zinc/04/43/47/632044347.db2.gz IKVXMUBRRLREFE-UHFFFAOYSA-N 0 1 292.354 2.813 20 30 CFEDMN C[C@@H]1C(N=Nc2cnccn2)CCCN1Cc1ccccc1 ZINC000814797067 632125175 /nfs/dbraw/zinc/12/51/75/632125175.db2.gz CZEJSGLFGOLTSW-CQSZACIVSA-N 0 1 295.390 2.929 20 30 CFEDMN CS(=O)(=O)c1ccccc1N=NCc1ccc(Cl)o1 ZINC000814846343 632137063 /nfs/dbraw/zinc/13/70/63/632137063.db2.gz DUISMLOGOJDZEO-UHFFFAOYSA-N 0 1 298.751 2.783 20 30 CFEDMN Cc1cc(N=NCc2cc(Cl)c(F)cc2O)ncn1 ZINC000814846196 632137177 /nfs/dbraw/zinc/13/71/77/632137177.db2.gz IXEYRJLIGBKQDI-UHFFFAOYSA-N 0 1 280.690 2.729 20 30 CFEDMN Cc1cc(Cl)cc(C=NNC2=N[C@H]3CCCC[C@@H]3N2)c1 ZINC000814885785 632149458 /nfs/dbraw/zinc/14/94/58/632149458.db2.gz JYPRZATVMILLOG-KBPBESRZSA-N 0 1 290.798 2.842 20 30 CFEDMN c1cc2c3c(c1)C(=NOC[C@@H]1CCOC1)CC[C@@H]3CN2 ZINC000814912111 632161938 /nfs/dbraw/zinc/16/19/38/632161938.db2.gz JNZUUBFBTMQFHP-VXGBXAGGSA-N 0 1 272.348 2.747 20 30 CFEDMN Nc1ccc2c(c1)C(=NN[C@@H](CO)c1ccccc1)CCC2 ZINC000814918778 632164434 /nfs/dbraw/zinc/16/44/34/632164434.db2.gz AMCOEINVJBGOOU-SFHVURJKSA-N 0 1 295.386 2.632 20 30 CFEDMN COCC(N=Nc1cncnc1)c1cccc(Cl)c1 ZINC000814927073 632168654 /nfs/dbraw/zinc/16/86/54/632168654.db2.gz VXRPHGAHJYNWGB-UHFFFAOYSA-N 0 1 276.727 2.593 20 30 CFEDMN CC(=NNc1cnnn1C)c1cc(C)ccc1OC(F)F ZINC000814981813 632184376 /nfs/dbraw/zinc/18/43/76/632184376.db2.gz QGPQFXICFMSEJE-UHFFFAOYSA-N 0 1 295.293 2.561 20 30 CFEDMN C#C[C@@H](NCc1ccc(C(C)C)nc1C)[C@H]1CCCO1 ZINC000815093446 632200830 /nfs/dbraw/zinc/20/08/30/632200830.db2.gz KJYVXTJUNOJINL-NVXWUHKLSA-N 0 1 272.392 2.784 20 30 CFEDMN C#CC(C)(C)N(C)C[C@@H](O)c1cc2ccccc2o1 ZINC000815102128 632202225 /nfs/dbraw/zinc/20/22/25/632202225.db2.gz FGHMLPBTHYDFCG-CYBMUJFWSA-N 0 1 257.333 2.810 20 30 CFEDMN C#C[C@H](NCc1cc(C)cc(Cl)c1)[C@H]1CCCO1 ZINC000815136172 632213584 /nfs/dbraw/zinc/21/35/84/632213584.db2.gz QCZHMZKKFHWWRV-LSDHHAIUSA-N 0 1 263.768 2.919 20 30 CFEDMN CCc1ccc(C#CC(=O)N[C@@H]2CCCc3cn[nH]c32)cc1 ZINC000815828009 632324628 /nfs/dbraw/zinc/32/46/28/632324628.db2.gz YGSYTJKAHSAFNL-MRXNPFEDSA-N 0 1 293.370 2.517 20 30 CFEDMN CC(C)(C)c1n[nH]cc1C(=O)Nc1cc(C#N)ccc1O ZINC000815877907 632327700 /nfs/dbraw/zinc/32/77/00/632327700.db2.gz LIXCLOAFPCXIFP-UHFFFAOYSA-N 0 1 284.319 2.537 20 30 CFEDMN CC(C)(C)c1[nH]ncc1C(=O)Nc1cc(C#N)ccc1O ZINC000815877907 632327706 /nfs/dbraw/zinc/32/77/06/632327706.db2.gz LIXCLOAFPCXIFP-UHFFFAOYSA-N 0 1 284.319 2.537 20 30 CFEDMN N#Cc1ccc(O)c(NC(=O)[C@H]2CCc3cccc(O)c32)c1 ZINC000815877774 632328020 /nfs/dbraw/zinc/32/80/20/632328020.db2.gz GXVMJXMHTIEUFE-LBPRGKRZSA-N 0 1 294.310 2.638 20 30 CFEDMN C[C@H](C(=O)C(C#N)C(=O)Nc1ccccc1)C(C)(F)F ZINC000815907708 632332431 /nfs/dbraw/zinc/33/24/31/632332431.db2.gz IEUBFYMIRROBHK-MWLCHTKSSA-N 0 1 280.274 2.625 20 30 CFEDMN Cc1nc(C(=O)C(C#N)C(=O)Nc2cccc(C)c2)c(C)o1 ZINC000815908175 632332475 /nfs/dbraw/zinc/33/24/75/632332475.db2.gz VFSYNIFALBJAKZ-ZDUSSCGKSA-N 0 1 297.314 2.561 20 30 CFEDMN C#CCN1CCC[C@@H]1COC(=O)c1ccn(C(C)C)c1C ZINC000815939917 632337889 /nfs/dbraw/zinc/33/78/89/632337889.db2.gz FBIGVCOLTFZXMA-OAHLLOKOSA-N 0 1 288.391 2.632 20 30 CFEDMN N#CC(C(=O)Nc1ccccn1)C(=O)[C@@H]1C[C@H]1C1CCCC1 ZINC000845445058 632437490 /nfs/dbraw/zinc/43/74/90/632437490.db2.gz FYRJSQXRIWWTHK-MJBXVCDLSA-N 0 1 297.358 2.555 20 30 CFEDMN COCCN(CCC#N)Cc1cc(Cl)c(F)cc1O ZINC000816503961 632473964 /nfs/dbraw/zinc/47/39/64/632473964.db2.gz SRWPIKFALRSMGZ-UHFFFAOYSA-N 0 1 286.734 2.547 20 30 CFEDMN C=CC[C@H](CO)C[NH2+]Cc1ccc2ccccc2c1[O-] ZINC000816560726 632484341 /nfs/dbraw/zinc/48/43/41/632484341.db2.gz YJPGIYMQJNGVBZ-ZDUSSCGKSA-N 0 1 271.360 2.820 20 30 CFEDMN C#Cc1ccc(CNCc2cnnn2-c2ccccc2)cc1 ZINC000816619225 632496175 /nfs/dbraw/zinc/49/61/75/632496175.db2.gz XTSDBTPYHXGYQD-UHFFFAOYSA-N 0 1 288.354 2.538 20 30 CFEDMN CSCCC(=O)C(C#N)=C(O)C1(c2ccccc2)CC1 ZINC000845843841 632578631 /nfs/dbraw/zinc/57/86/31/632578631.db2.gz ZIHFXCHHWYHWQO-CYBMUJFWSA-N 0 1 287.384 2.749 20 30 CFEDMN N#Cc1ccc(O)c(NC(=O)[C@@H]2C[C@@H]3C=C[C@H]2CC3)c1 ZINC000845887848 632591509 /nfs/dbraw/zinc/59/15/09/632591509.db2.gz PMKFVTFSMXOAHZ-KGYLQXTDSA-N 0 1 268.316 2.805 20 30 CFEDMN Nc1ccc2c(c1)C(=NOC[C@@H]1CCOC1)CCCC2 ZINC000817327686 632603213 /nfs/dbraw/zinc/60/32/13/632603213.db2.gz OZYGAIORGHXWKY-GFCCVEGCSA-N 0 1 274.364 2.752 20 30 CFEDMN COc1cc(CN=Nc2nccnc2C(C)C)sn1 ZINC000817328107 632603359 /nfs/dbraw/zinc/60/33/59/632603359.db2.gz XDZQLMAWCODAHE-UHFFFAOYSA-N 0 1 277.353 2.511 20 30 CFEDMN C#C[C@H](NCc1cc(F)c(OC)cc1OC)C(C)(C)C ZINC000845971881 632607009 /nfs/dbraw/zinc/60/70/09/632607009.db2.gz GGKNIBQDLPUIPZ-HNNXBMFYSA-N 0 1 279.355 2.980 20 30 CFEDMN N#CC1(CNCc2ccc(N3CCOCC3)cc2)CCCC1 ZINC000846012154 632613724 /nfs/dbraw/zinc/61/37/24/632613724.db2.gz UZONGFIWZJMOET-UHFFFAOYSA-N 0 1 299.418 2.697 20 30 CFEDMN N#Cc1ccc(CN2CCC[C@@]3(CC3(F)F)C2)o1 ZINC000846109178 632633959 /nfs/dbraw/zinc/63/39/59/632633959.db2.gz SVTLRSFPFKOPRH-GFCCVEGCSA-N 0 1 252.264 2.772 20 30 CFEDMN C=CC[N@@H+](CC(=O)[O-])C[C@H](OC(C)C)c1ccccc1 ZINC000846263643 632676416 /nfs/dbraw/zinc/67/64/16/632676416.db2.gz PZOQASAJQBXBCO-HNNXBMFYSA-N 0 1 277.364 2.725 20 30 CFEDMN C=C[C@H](C)O[N-]C(=O)[C@H](c1cccc(Cl)c1)[NH+](C)C ZINC000846545947 632733957 /nfs/dbraw/zinc/73/39/57/632733957.db2.gz QWNMWJPAYGHWIF-GWCFXTLKSA-N 0 1 282.771 2.565 20 30 CFEDMN C=C[C@@H](C)O[N-]C(=O)[C@@H]1CCCC[N@H+]1Cc1ccccc1 ZINC000846547475 632735646 /nfs/dbraw/zinc/73/56/46/632735646.db2.gz OOCNKPIEASHOMM-ZBFHGGJFSA-N 0 1 288.391 2.663 20 30 CFEDMN C=CCN(Cc1ccccc1)C[C@@H]1CN(CC)C(=O)O1 ZINC000846765105 632790947 /nfs/dbraw/zinc/79/09/47/632790947.db2.gz KXTNBHKLENGUSU-OAHLLOKOSA-N 0 1 274.364 2.515 20 30 CFEDMN C#C[C@@H]1CCC[N@H+](C[C@H](O)c2ccccc2Cl)C1 ZINC000847020539 632885784 /nfs/dbraw/zinc/88/57/84/632885784.db2.gz ZPOWDQPHKCIGKY-DOMZBBRYSA-N 0 1 263.768 2.719 20 30 CFEDMN C#C[C@@H]1CCCN(C[C@H](O)c2ccccc2Cl)C1 ZINC000847020539 632885789 /nfs/dbraw/zinc/88/57/89/632885789.db2.gz ZPOWDQPHKCIGKY-DOMZBBRYSA-N 0 1 263.768 2.719 20 30 CFEDMN C#C[C@@H]1CCCN(Cc2cnn(Cc3ccccc3)c2)C1 ZINC000847021566 632886007 /nfs/dbraw/zinc/88/60/07/632886007.db2.gz NSGHPDXPXOUCRO-MRXNPFEDSA-N 0 1 279.387 2.777 20 30 CFEDMN C#C[C@H]1CCCN([C@H](C)C(=O)NCCC2=CCCCC2)C1 ZINC000847022640 632886442 /nfs/dbraw/zinc/88/64/42/632886442.db2.gz IIWCIYCLRRLXKM-CVEARBPZSA-N 0 1 288.435 2.727 20 30 CFEDMN C#C[C@@H]1CCCN([C@H](C)C(=O)Nc2cc(C)cc(C)c2)C1 ZINC000847022066 632887451 /nfs/dbraw/zinc/88/74/51/632887451.db2.gz FGZLQSLTQJLJGX-HZPDHXFCSA-N 0 1 284.403 2.976 20 30 CFEDMN C#C[C@H]1CCCN(C[C@H](O)c2ccc(Cl)c(F)c2)C1 ZINC000847021943 632887593 /nfs/dbraw/zinc/88/75/93/632887593.db2.gz QVCFBIKBNQURKK-NHYWBVRUSA-N 0 1 281.758 2.858 20 30 CFEDMN C#C[C@@H]1CCCN(CC(=O)NC2(c3ccccc3)CCC2)C1 ZINC000847023737 632889667 /nfs/dbraw/zinc/88/96/67/632889667.db2.gz FIQNZDSMWLOLAS-MRXNPFEDSA-N 0 1 296.414 2.527 20 30 CFEDMN C#C[C@@H]1CCCN([C@@H]2CCCN(c3ccccc3)C2=O)C1 ZINC000847025523 632891019 /nfs/dbraw/zinc/89/10/19/632891019.db2.gz NUOMOUCBKJZMPI-NVXWUHKLSA-N 0 1 282.387 2.527 20 30 CFEDMN C#C[C@H]1CCCN([C@@H](C)C(=O)N(CC)C2CCCCC2)C1 ZINC000847030260 632894356 /nfs/dbraw/zinc/89/43/56/632894356.db2.gz PSLVZUJGJQMKKE-HOTGVXAUSA-N 0 1 290.451 2.901 20 30 CFEDMN C#C[C@@H]1CCCN(CC(=O)N(c2ccccc2)C(C)C)C1 ZINC000847031545 632896070 /nfs/dbraw/zinc/89/60/70/632896070.db2.gz UAPIFLSQFHGACN-MRXNPFEDSA-N 0 1 284.403 2.773 20 30 CFEDMN C#C[C@@H]1CCCN([C@H](C)C(=O)N2CCCC[C@H]2CC)C1 ZINC000847032496 632896234 /nfs/dbraw/zinc/89/62/34/632896234.db2.gz LIXWMOTVBWLWQT-BZUAXINKSA-N 0 1 276.424 2.511 20 30 CFEDMN CCOC(=O)CCN(Cc1ccc(F)cc1C#N)C(C)C ZINC000847085600 632915307 /nfs/dbraw/zinc/91/53/07/632915307.db2.gz PKJHRKOATYALOU-UHFFFAOYSA-N 0 1 292.354 2.861 20 30 CFEDMN Cc1ccc(OC[C@@H](C)NC[C@H](C#N)CCC#N)cc1 ZINC000818982344 632921846 /nfs/dbraw/zinc/92/18/46/632921846.db2.gz LBCUPEVSPNJDQG-CABCVRRESA-N 0 1 271.364 2.795 20 30 CFEDMN CCc1cc(CNC(=O)Nc2scc(C)c2C#N)n[nH]1 ZINC000847188504 632948137 /nfs/dbraw/zinc/94/81/37/632948137.db2.gz QRMVDRDOMJQGPZ-UHFFFAOYSA-N 0 1 289.364 2.535 20 30 CFEDMN CC[C@@](C)(C#N)NC(=O)c1cccc(C(F)(F)F)c1O ZINC000847412923 632984599 /nfs/dbraw/zinc/98/45/99/632984599.db2.gz DNOKQNWBHWHLQS-LBPRGKRZSA-N 0 1 286.253 2.833 20 30 CFEDMN C#Cc1cccc(N(CC)C(=O)[C@@H](C)Cc2cnc[nH]2)c1 ZINC000847436429 632988059 /nfs/dbraw/zinc/98/80/59/632988059.db2.gz MKVVRJSHGBQPAE-ZDUSSCGKSA-N 0 1 281.359 2.623 20 30 CFEDMN CC(C)NC(=O)C(C#N)C(=O)CCC1CCCCCC1 ZINC000847626084 633011259 /nfs/dbraw/zinc/01/12/59/633011259.db2.gz CPBKAOFNKXBVGU-AWEZNQCLSA-N 0 1 278.396 2.970 20 30 CFEDMN N#CC(C(=O)CCC1CCCCCC1)C(=O)NC1CC1 ZINC000847624792 633011347 /nfs/dbraw/zinc/01/13/47/633011347.db2.gz YFRQXDBNEDJGMR-AWEZNQCLSA-N 0 1 276.380 2.724 20 30 CFEDMN C#CC[C@@H](NC[C@](C)(O)C(F)(F)F)c1ccccc1 ZINC000819192468 633012223 /nfs/dbraw/zinc/01/22/23/633012223.db2.gz YRKMFKKBVQUHIW-OLZOCXBDSA-N 0 1 271.282 2.654 20 30 CFEDMN C[C@H](C#N)Oc1ccccc1NC(=O)[C@H](C)Cc1cnc[nH]1 ZINC000847693827 633044067 /nfs/dbraw/zinc/04/40/67/633044067.db2.gz ZIVCNJHPUPECOY-VXGBXAGGSA-N 0 1 298.346 2.518 20 30 CFEDMN C#CCCC[C@H](C)OC(=O)[C@H](CC)N(CC)CC ZINC000847866137 633113939 /nfs/dbraw/zinc/11/39/39/633113939.db2.gz KXQOYJFEXUMVQH-KBPBESRZSA-N 0 1 253.386 2.842 20 30 CFEDMN C#C[C@@H]1CCCN(C(=O)[C@H](c2ccccc2)N(C)CC)C1 ZINC000848284782 633232757 /nfs/dbraw/zinc/23/27/57/633232757.db2.gz MUCUUHPMCNFGPG-WBVHZDCISA-N 0 1 284.403 2.551 20 30 CFEDMN C#C[C@H]1CCCN(C(=O)[C@H](c2ccccc2)N(CC)CC)C1 ZINC000848285009 633232761 /nfs/dbraw/zinc/23/27/61/633232761.db2.gz PWPIADGKFPNSBK-WMZOPIPTSA-N 0 1 298.430 2.941 20 30 CFEDMN Cc1cc2c(c(C)c1)C(=NNc1nccn1C)CC2 ZINC000848410700 633251602 /nfs/dbraw/zinc/25/16/02/633251602.db2.gz NMCDUHZYJDAACJ-UHFFFAOYSA-N 0 1 254.337 2.799 20 30 CFEDMN C[C@H](NN=C1CCCN2CCCC[C@@H]12)c1ccncc1 ZINC000848411956 633252480 /nfs/dbraw/zinc/25/24/80/633252480.db2.gz GJPITAAKOKCDAP-BBRMVZONSA-N 0 1 272.396 2.737 20 30 CFEDMN Nc1ccc2c(c1)C(=NNCCCn1ccnc1)CCCC2 ZINC000848416804 633254491 /nfs/dbraw/zinc/25/44/91/633254491.db2.gz ZDKNSDAROSRIFW-UHFFFAOYSA-N 0 1 297.406 2.576 20 30 CFEDMN C[C@@H](NCc1cnc(Cl)n1C)c1ccc(C#N)cc1 ZINC000848525746 633277106 /nfs/dbraw/zinc/27/71/06/633277106.db2.gz SWKYCHZCLHNFIU-SNVBAGLBSA-N 0 1 274.755 2.796 20 30 CFEDMN C#C[C@@H](NCc1ccc(/C=C/C(=O)OC)o1)C(C)(C)C ZINC000848911877 633396519 /nfs/dbraw/zinc/39/65/19/633396519.db2.gz JZTXKSMOIKMRJA-ATWMFIQVSA-N 0 1 275.348 2.603 20 30 CFEDMN C#C[C@H]1CCCN(Cc2cc3c(cc2OC)C[C@@H](C)O3)C1 ZINC000848923150 633404768 /nfs/dbraw/zinc/40/47/68/633404768.db2.gz HFXQGCKTMMSGCW-KGLIPLIRSA-N 0 1 285.387 2.864 20 30 CFEDMN C=CCN1CCC(Nc2nnc(Cc3ccccc3)o2)CC1 ZINC000849163975 633574526 /nfs/dbraw/zinc/57/45/26/633574526.db2.gz DRJVIWSNGJZNFT-UHFFFAOYSA-N 0 1 298.390 2.723 20 30 CFEDMN C#CC[C@@H]1CCC[N@H+](Cc2ccc(C(=O)[O-])cc2F)C1 ZINC000849344112 633622863 /nfs/dbraw/zinc/62/28/63/633622863.db2.gz BTUNJFCIFJJZBJ-GFCCVEGCSA-N 0 1 275.323 2.759 20 30 CFEDMN C#CC[C@H]1CCC[N@H+](Cc2cc(C(=O)[O-])oc2C)C1 ZINC000849345577 633623804 /nfs/dbraw/zinc/62/38/04/633623804.db2.gz YHAXSVBNTYUEQR-LBPRGKRZSA-N 0 1 261.321 2.522 20 30 CFEDMN C=CCN1C(=O)N=NC1SCC=C(Cl)Cl ZINC000849888153 633752904 /nfs/dbraw/zinc/75/29/04/633752904.db2.gz YSEKMLRDDAUHNQ-UHFFFAOYSA-N 0 1 266.153 2.581 20 30 CFEDMN CC(C)c1n[nH]c(COC(=O)CC2(C#N)CCCCC2)n1 ZINC000849906544 633759352 /nfs/dbraw/zinc/75/93/52/633759352.db2.gz CNRHSFMKJMULRQ-UHFFFAOYSA-N 0 1 290.367 2.835 20 30 CFEDMN CC(C)c1nc(COC(=O)CC2(C#N)CCCCC2)n[nH]1 ZINC000849906544 633759358 /nfs/dbraw/zinc/75/93/58/633759358.db2.gz CNRHSFMKJMULRQ-UHFFFAOYSA-N 0 1 290.367 2.835 20 30 CFEDMN C#CCOc1cccc(Cl)c1CN[C@H](CC)COC ZINC000850150679 633856031 /nfs/dbraw/zinc/85/60/31/633856031.db2.gz MNOWPYNETAYQAG-GFCCVEGCSA-N 0 1 281.783 2.867 20 30 CFEDMN C#C[C@H](NCc1cc2ccc(C)cc2[nH]1)[C@@H]1CCCO1 ZINC000850251051 633913053 /nfs/dbraw/zinc/91/30/53/633913053.db2.gz KSWQIDSEQNCTBT-RDJZCZTQSA-N 0 1 268.360 2.747 20 30 CFEDMN C#CCOc1ccccc1CN[C@@H]1C[C@@H](O)c2ccccc21 ZINC000850371225 633960726 /nfs/dbraw/zinc/96/07/26/633960726.db2.gz VXXOYYACCIQLBU-QZTJIDSGSA-N 0 1 293.366 2.967 20 30 CFEDMN C#CCOc1ccccc1CN[C@@H]1C[C@H](O)c2ccccc21 ZINC000850371223 633961172 /nfs/dbraw/zinc/96/11/72/633961172.db2.gz VXXOYYACCIQLBU-MSOLQXFVSA-N 0 1 293.366 2.967 20 30 CFEDMN C#Cc1ccc(CNCc2c(C(F)(F)F)cnn2C)cc1 ZINC000858211996 636156212 /nfs/dbraw/zinc/15/62/12/636156212.db2.gz WFHPQFYVJFPSSR-UHFFFAOYSA-N 0 1 293.292 2.710 20 30 CFEDMN Cc1cc(C(C#N)C(=O)C2CC3(CC3(F)F)C2)nc(C)n1 ZINC000850756990 634081360 /nfs/dbraw/zinc/08/13/60/634081360.db2.gz YENSQAJFKYZXEI-CVZZAPKMSA-N 0 1 291.301 2.705 20 30 CFEDMN CC1(C)CC[C@@H]1C(=O)C(C#N)C(=O)Nc1ccccc1 ZINC000850759700 634081465 /nfs/dbraw/zinc/08/14/65/634081465.db2.gz MJXLEFKYSVJGIV-CHWSQXEVSA-N 0 1 270.332 2.770 20 30 CFEDMN CC1(C)CC[C@H]1C(=O)[C@@H](C#N)C(=O)NC1CCCCC1 ZINC000850757202 634081787 /nfs/dbraw/zinc/08/17/87/634081787.db2.gz HLQRCBXIOWRQTF-OLZOCXBDSA-N 0 1 276.380 2.580 20 30 CFEDMN N#CC(C(=O)[C@H]1COC[C@H]1c1ccccc1)c1ccccn1 ZINC000850757329 634081834 /nfs/dbraw/zinc/08/18/34/634081834.db2.gz YWTJPXGGKHNULD-JYJNAYRXSA-N 0 1 292.338 2.688 20 30 CFEDMN Cc1cccc2nc([C@@H](C#N)C(=O)[C@H](C)CC#N)[nH]c21 ZINC000850850330 634109831 /nfs/dbraw/zinc/10/98/31/634109831.db2.gz UTSFCIUQRKPDKT-MNOVXSKESA-N 0 1 266.304 2.597 20 30 CFEDMN Cc1cccc2nc([C@@H](C#N)C(=O)CCCF)[nH]c21 ZINC000850849930 634110120 /nfs/dbraw/zinc/11/01/20/634110120.db2.gz MSLUOLOOADRUKK-JTQLQIEISA-N 0 1 259.284 2.797 20 30 CFEDMN CO[C@H](C(=O)C(C#N)c1cnc2ccccc2n1)C1CCC1 ZINC000850984646 634167299 /nfs/dbraw/zinc/16/72/99/634167299.db2.gz AELBMCNZNYSVMD-SJCJKPOMSA-N 0 1 295.342 2.621 20 30 CFEDMN C[C@H](CC(C)(C)C#N)OC(=O)c1ccc(-c2nnc[nH]2)cc1 ZINC000851206744 634270701 /nfs/dbraw/zinc/27/07/01/634270701.db2.gz OXYBZEJQLQHQIA-LLVKDONJSA-N 0 1 298.346 2.957 20 30 CFEDMN CCOc1c(Cl)cccc1C=NNc1nnc(C)n1C ZINC000853431801 634997661 /nfs/dbraw/zinc/99/76/61/634997661.db2.gz IJIRPSUOEANNKF-UHFFFAOYSA-N 0 1 293.758 2.622 20 30 CFEDMN C=CC[C@@H]1CCCN(CN2C(=O)[C@@H](C3CC3)[C@@H]2C2CC2)C1 ZINC000853536635 635031552 /nfs/dbraw/zinc/03/15/52/635031552.db2.gz GXZZZPCHRKOZTE-COXVUDFISA-N 0 1 288.435 2.879 20 30 CFEDMN C#Cc1cccnc1N1CCN(Cc2ccccc2)[C@H](C)C1 ZINC000853689219 635074717 /nfs/dbraw/zinc/07/47/17/635074717.db2.gz DTAILIOMNDLEKX-MRXNPFEDSA-N 0 1 291.398 2.774 20 30 CFEDMN CC(C)(C)N1CC[C@@H]1CNc1snc(Cl)c1C#N ZINC000853746199 635091796 /nfs/dbraw/zinc/09/17/96/635091796.db2.gz GGHMBFBIGKPBFY-MRVPVSSYSA-N 0 1 284.816 2.953 20 30 CFEDMN C=CCCCCCCNC(=O)[C@@H]1CCc2[nH]cnc2C1 ZINC000854451533 635308467 /nfs/dbraw/zinc/30/84/67/635308467.db2.gz CTNNSRCLKFVHHN-CYBMUJFWSA-N 0 1 275.396 2.767 20 30 CFEDMN C#CC[C@@H](OC(=O)c1[nH]nc2c1CCCC2)c1ccccn1 ZINC000113662760 635646512 /nfs/dbraw/zinc/64/65/12/635646512.db2.gz YQRITVFAQFWSLD-OAHLLOKOSA-N 0 1 295.342 2.605 20 30 CFEDMN C=CCCONC(=O)C(C)(C)c1ccc(OC)cc1 ZINC000856032432 635707609 /nfs/dbraw/zinc/70/76/09/635707609.db2.gz KRQSQNBKHPEIJZ-UHFFFAOYSA-N 0 1 263.337 2.597 20 30 CFEDMN C=CCCONC(=O)C(C)(C)c1ccc([N+](=O)[O-])cc1F ZINC000856033777 635709344 /nfs/dbraw/zinc/70/93/44/635709344.db2.gz QJYATVGXIMSPHF-UHFFFAOYSA-N 0 1 296.298 2.635 20 30 CFEDMN C[C@H](NC[C@H](O)CC(C)(C)C#N)c1c(F)cccc1F ZINC000856732936 635843161 /nfs/dbraw/zinc/84/31/61/635843161.db2.gz HXWGPKIFWMXQLN-WDEREUQCSA-N 0 1 282.334 2.916 20 30 CFEDMN C=C(C)CN1CC[C@H](NC(=O)C(C)(C)C2CCC2)C1 ZINC001015407778 651200080 /nfs/dbraw/zinc/20/00/80/651200080.db2.gz LIAMKTWUZZQTEU-AWEZNQCLSA-N 0 1 264.413 2.579 20 30 CFEDMN CCCCCCCCCC(=O)N(C)Cc1n[nH]c(=O)o1 ZINC000857294248 635961399 /nfs/dbraw/zinc/96/13/99/635961399.db2.gz BNOPTLYZURMMPH-UHFFFAOYSA-N 0 1 283.372 2.874 20 30 CFEDMN CCC#C[C@@H](C)N1CC[C@@H](Oc2ccc(C)cn2)C1 ZINC000858040259 636118311 /nfs/dbraw/zinc/11/83/11/636118311.db2.gz CQNRSHIIBGQBEC-HUUCEWRRSA-N 0 1 258.365 2.645 20 30 CFEDMN CC(=O)N(C)c1ccc(CNCc2ccc(C#N)s2)cc1 ZINC000858249908 636163866 /nfs/dbraw/zinc/16/38/66/636163866.db2.gz BQEYUTQVKUNLRM-UHFFFAOYSA-N 0 1 299.399 2.892 20 30 CFEDMN C#CC[C@H](CCOC)NCc1coc(-c2ccccc2)n1 ZINC000858333433 636193420 /nfs/dbraw/zinc/19/34/20/636193420.db2.gz GGULENLZQVBQEJ-OAHLLOKOSA-N 0 1 284.359 2.860 20 30 CFEDMN C=CC[C@@H]1CCN(Cc2cnc(C3OCCO3)s2)C1 ZINC000859445308 636566627 /nfs/dbraw/zinc/56/66/27/636566627.db2.gz FQGUATUTLNSBCS-LLVKDONJSA-N 0 1 280.393 2.587 20 30 CFEDMN N#CC(C(=O)CCC1CCCC1)C(=O)NC1CCCC1 ZINC000048554977 650271268 /nfs/dbraw/zinc/27/12/68/650271268.db2.gz YOPMUDZAMZTREV-CQSZACIVSA-N 0 1 276.380 2.724 20 30 CFEDMN C[C@@H](CC(=O)C(C#N)C(=O)NC1CCCC1)c1ccco1 ZINC000860478276 636893542 /nfs/dbraw/zinc/89/35/42/636893542.db2.gz UISWBNMMLOYAGD-WCQYABFASA-N 0 1 288.347 2.541 20 30 CFEDMN CCO[C@@H](C(=O)[C@@H](C#N)c1nc2cccc(C)c2[nH]1)C1CC1 ZINC000860555902 636909786 /nfs/dbraw/zinc/90/97/86/636909786.db2.gz LGGXGBURBPGTMW-MLGOLLRUSA-N 0 1 297.358 2.863 20 30 CFEDMN C=CC[C@H](C=C)OC(=O)[C@]1(F)CCN(C(C)(C)C)C1 ZINC000860929014 637022137 /nfs/dbraw/zinc/02/21/37/637022137.db2.gz PCLIPHODDOLJNB-WFASDCNBSA-N 0 1 269.360 2.873 20 30 CFEDMN Cc1nccnc1[C@@H](C)NCc1ccc(OCC#N)cc1 ZINC000188180549 650318454 /nfs/dbraw/zinc/31/84/54/650318454.db2.gz KURSBKRFLRAIPO-CYBMUJFWSA-N 0 1 282.347 2.538 20 30 CFEDMN C#CC[C@@H]1CCN(Cc2ccn(-c3ccccc3)n2)C1 ZINC000862444429 637385389 /nfs/dbraw/zinc/38/53/89/637385389.db2.gz AABPQNXDQQPCAR-OAHLLOKOSA-N 0 1 265.360 2.718 20 30 CFEDMN C#CC[C@H]1CCN(Cc2cc(F)c(F)c(F)c2)C1 ZINC000862444988 637386021 /nfs/dbraw/zinc/38/60/21/637386021.db2.gz JQVCUOKLEAHZOT-JTQLQIEISA-N 0 1 253.267 2.949 20 30 CFEDMN C#CC[C@H]1CCN(Cc2ncccc2C(F)(F)F)C1 ZINC000862444726 637386251 /nfs/dbraw/zinc/38/62/51/637386251.db2.gz GDOMHKKDJCKNMA-NSHDSACASA-N 0 1 268.282 2.946 20 30 CFEDMN N#Cc1ccc(CN2CCC[C@@](O)(c3ccccc3)C2)o1 ZINC000862483407 637399216 /nfs/dbraw/zinc/39/92/16/637399216.db2.gz SWLHOCCAVTVPJB-KRWDZBQOSA-N 0 1 282.343 2.635 20 30 CFEDMN CC#CC(=O)N[C@@H](CN(C)C)c1ccc(Cl)c(Cl)c1 ZINC000863036450 637541264 /nfs/dbraw/zinc/54/12/64/637541264.db2.gz AIQURQFWJMPVMO-ZDUSSCGKSA-N 0 1 299.201 2.736 20 30 CFEDMN O=c1[n-]c(N=NC[C@H]2CC23CC3)nc2ccccc21 ZINC000863101161 637554817 /nfs/dbraw/zinc/55/48/17/637554817.db2.gz LAOFZTICKDKYLS-SECBINFHSA-N 0 1 254.293 2.533 20 30 CFEDMN O=c1[nH]c(N=NC[C@H]2CC23CC3)nc2ccccc21 ZINC000863101161 637554823 /nfs/dbraw/zinc/55/48/23/637554823.db2.gz LAOFZTICKDKYLS-SECBINFHSA-N 0 1 254.293 2.533 20 30 CFEDMN C[C@H]1CC(N=Nc2nc3ccccc3[nH]c2=S)CN1C ZINC000863129673 637566924 /nfs/dbraw/zinc/56/69/24/637566924.db2.gz WMPZIFCIFMCMND-VIFPVBQESA-N 0 1 287.392 2.784 20 30 CFEDMN CCCC(=NNc1ccncc1C)c1ccccn1 ZINC000863158069 637571752 /nfs/dbraw/zinc/57/17/52/637571752.db2.gz NLGRNUNMOWWZPC-UHFFFAOYSA-N 0 1 254.337 2.823 20 30 CFEDMN CC(C)(C)n1nnc(CN=Nc2cccc(F)c2Cl)n1 ZINC000863158968 637573371 /nfs/dbraw/zinc/57/33/71/637573371.db2.gz XNPQUMPSNHSPCO-UHFFFAOYSA-N 0 1 296.737 2.667 20 30 CFEDMN Cc1cccc(N=NCc2cn(C)nc2C(C)(C)C)n1 ZINC000863160122 637574037 /nfs/dbraw/zinc/57/40/37/637574037.db2.gz RPEWPAKBGVXIQF-UHFFFAOYSA-N 0 1 271.368 2.867 20 30 CFEDMN Cc1c(Cl)c(CN=Nc2cccc(C)n2)nn1C ZINC000863161249 637575440 /nfs/dbraw/zinc/57/54/40/637575440.db2.gz ZRGYMJMQDLKLMV-UHFFFAOYSA-N 0 1 263.732 2.531 20 30 CFEDMN Cc1c(Cl)c(C=N[N-]c2cccc(C)[nH+]2)nn1C ZINC000863161249 637575443 /nfs/dbraw/zinc/57/54/43/637575443.db2.gz ZRGYMJMQDLKLMV-UHFFFAOYSA-N 0 1 263.732 2.531 20 30 CFEDMN Cc1nn(C)c(Cl)c1C=N[N-]c1cccc(C)[nH+]1 ZINC000863161694 637575631 /nfs/dbraw/zinc/57/56/31/637575631.db2.gz IATXRSLWQVPNPH-UHFFFAOYSA-N 0 1 263.732 2.531 20 30 CFEDMN FC(F)(F)C(F)(F)CNN=C1CCCN2CCCC[C@H]12 ZINC000863183329 637582426 /nfs/dbraw/zinc/58/24/26/637582426.db2.gz VKFNRKJGYLSQEN-SNVBAGLBSA-N 0 1 299.287 2.778 20 30 CFEDMN CCCn1nccc1CNc1nc2ccc(C#N)cc2[nH]1 ZINC000865295221 638261682 /nfs/dbraw/zinc/26/16/82/638261682.db2.gz CTDSNSFTDAYURO-UHFFFAOYSA-N 0 1 280.335 2.653 20 30 CFEDMN C=CCN1C(=O)N=NC1SCOC1CCCCC1 ZINC000865359208 638282448 /nfs/dbraw/zinc/28/24/48/638282448.db2.gz HCMMCDXFHYPOSH-UHFFFAOYSA-N 0 1 269.370 2.569 20 30 CFEDMN C=C(C)COCCNCc1cccnc1Br ZINC000865493084 638376355 /nfs/dbraw/zinc/37/63/55/638376355.db2.gz CAWHLPYIFLMPCI-UHFFFAOYSA-N 0 1 285.185 2.526 20 30 CFEDMN C=CCCSCCNCc1cn(C2CC2)cn1 ZINC000865623101 638468410 /nfs/dbraw/zinc/46/84/10/638468410.db2.gz JOPOJLNECWWMOC-UHFFFAOYSA-N 0 1 251.399 2.617 20 30 CFEDMN Cc1nocc1CNCc1ccc(O[C@@H](C)C#N)cc1 ZINC000865679073 638507531 /nfs/dbraw/zinc/50/75/31/638507531.db2.gz WZEGYOJUPMKWHC-NSHDSACASA-N 0 1 271.320 2.564 20 30 CFEDMN Cc1nc([C@@H](C)Nc2cc(C(F)(F)F)cc(C#N)n2)n[nH]1 ZINC000865804410 638580583 /nfs/dbraw/zinc/58/05/83/638580583.db2.gz XRXPXQLIRFVAOY-ZCFIWIBFSA-N 0 1 296.256 2.572 20 30 CFEDMN C[C@@H](C#N)Oc1ccc(CN[C@@H](C)c2ccnn2C)cc1 ZINC000865838909 638605007 /nfs/dbraw/zinc/60/50/07/638605007.db2.gz PHDJYGVLSYJCHV-STQMWFEESA-N 0 1 284.363 2.562 20 30 CFEDMN N#Cc1ccc(CN[C@H]2CCCc3ncccc32)nc1 ZINC000866342903 638800051 /nfs/dbraw/zinc/80/00/51/638800051.db2.gz GNUBJOARTIPXGS-INIZCTEOSA-N 0 1 264.332 2.515 20 30 CFEDMN C=CCOCCCN[C@@H]1c2ccccc2OC[C@@H]1F ZINC000866389373 638812284 /nfs/dbraw/zinc/81/22/84/638812284.db2.gz FXXBKTFFFNQJQK-DZGCQCFKSA-N 0 1 265.328 2.641 20 30 CFEDMN C[C@H](c1ccncc1)N1CCN(c2ccc(C#N)cc2)CC1 ZINC000866588212 638849655 /nfs/dbraw/zinc/84/96/55/638849655.db2.gz SHAXVRGOUXWUBF-OAHLLOKOSA-N 0 1 292.386 2.836 20 30 CFEDMN COc1ccc(C#N)cc1CN(C)Cc1ccccc1O ZINC000121150069 638854226 /nfs/dbraw/zinc/85/42/26/638854226.db2.gz WRKBKLVLWSYSSQ-UHFFFAOYSA-N 0 1 282.343 2.904 20 30 CFEDMN C[C@H](N[C@@H]1Cc2ccc(C#N)cc2C1)c1cscn1 ZINC000866618089 638856048 /nfs/dbraw/zinc/85/60/48/638856048.db2.gz VMUJIJPJBDYGAT-IINYFYTJSA-N 0 1 269.373 2.833 20 30 CFEDMN CC[C@@H](C)CN(CC)C(=O)[C@@H]1NCCc2cc(C#N)ccc21 ZINC000867942486 638907548 /nfs/dbraw/zinc/90/75/48/638907548.db2.gz SKJSBIAVKUOUPN-CXAGYDPISA-N 0 1 299.418 2.640 20 30 CFEDMN C=CCONC(=O)[C@@H](c1cccnc1)C1CCCCC1 ZINC000868763329 638976468 /nfs/dbraw/zinc/97/64/68/638976468.db2.gz IJQOJYKHGQJDJG-OAHLLOKOSA-N 0 1 274.364 2.979 20 30 CFEDMN C#CCN1CCC(N(C)C(=O)C2C[C@@H](C)C[C@H](C)C2)CC1 ZINC001006452347 650466861 /nfs/dbraw/zinc/46/68/61/650466861.db2.gz SKESAQOOEBXCMH-GJZGRUSLSA-N 0 1 290.451 2.615 20 30 CFEDMN C#CCCCCCOC(=O)Cc1[nH]nc2ccccc21 ZINC000869366874 639197487 /nfs/dbraw/zinc/19/74/87/639197487.db2.gz XQLQQMLGDXVFCF-UHFFFAOYSA-N 0 1 270.332 2.842 20 30 CFEDMN Cn1ncc(Cl)c1/C=C/C(=O)c1ccccc1O ZINC000122696268 639338717 /nfs/dbraw/zinc/33/87/17/639338717.db2.gz ZUPHZMXJEBRDGE-VOTSOKGWSA-N 0 1 262.696 2.675 20 30 CFEDMN CC[C@H](CC(=O)C(C#N)C(=O)N1CCCC1)C(C)(C)C ZINC000870132409 639526465 /nfs/dbraw/zinc/52/64/65/639526465.db2.gz GHQPYCVVRGYMDZ-CHWSQXEVSA-N 0 1 278.396 2.780 20 30 CFEDMN Cc1cc(C(C#N)C(=O)[C@@H]2C[C@@H]2[C@H]2C[C@@H]2C)nc(C)n1 ZINC000870135604 639527749 /nfs/dbraw/zinc/52/77/49/639527749.db2.gz AUHURNOIQNXGSI-CNJBRALLSA-N 0 1 269.348 2.562 20 30 CFEDMN C#CCN1CCC(N(C)C(=O)[C@@H]2CCCCC2(C)C)CC1 ZINC001006457750 650505268 /nfs/dbraw/zinc/50/52/68/650505268.db2.gz IEANHCRNGBEGPR-INIZCTEOSA-N 0 1 290.451 2.759 20 30 CFEDMN C#CCN1CCC(N(C)C(=O)[C@H]2CCCCC2(C)C)CC1 ZINC001006457753 650505376 /nfs/dbraw/zinc/50/53/76/650505376.db2.gz IEANHCRNGBEGPR-MRXNPFEDSA-N 0 1 290.451 2.759 20 30 CFEDMN C[C@]1(C(=O)NOc2cccc(C#N)c2)CC=CCC1 ZINC000870689786 639772781 /nfs/dbraw/zinc/77/27/81/639772781.db2.gz BJRZLOJAIGKREX-HNNXBMFYSA-N 0 1 256.305 2.715 20 30 CFEDMN CCCCCCCN1CCC(S(=O)(=O)CC)CC1 ZINC000193243405 650636303 /nfs/dbraw/zinc/63/63/03/650636303.db2.gz UVTQOZIZQNLPOF-UHFFFAOYSA-N 0 1 275.458 2.856 20 30 CFEDMN N#Cc1ccc2nc(NC(=O)C3CCSCC3)[nH]c2c1 ZINC000871070041 641183352 /nfs/dbraw/zinc/18/33/52/641183352.db2.gz FEOUFRDNJFYQEF-UHFFFAOYSA-N 0 1 286.360 2.516 20 30 CFEDMN CC1(C(=O)Nc2nc3ccc(C#N)cc3[nH]2)CCCC1 ZINC000871070031 641183415 /nfs/dbraw/zinc/18/34/15/641183415.db2.gz FABUOBGDZNUNBH-UHFFFAOYSA-N 0 1 268.320 2.953 20 30 CFEDMN N#Cc1ccc2nc(NC(=O)C3CCCC3)[nH]c2c1 ZINC000871070399 641184536 /nfs/dbraw/zinc/18/45/36/641184536.db2.gz KNYRCAFKRBQLLX-UHFFFAOYSA-N 0 1 254.293 2.563 20 30 CFEDMN C[C@@H](C(=O)Nc1nc2ccc(C#N)cc2[nH]1)C(F)(F)F ZINC000871071266 641185312 /nfs/dbraw/zinc/18/53/12/641185312.db2.gz CKCGXRGBZIQKNE-LURJTMIESA-N 0 1 282.225 2.571 20 30 CFEDMN CCC1(C(=O)Nc2nc3ccc(C#N)cc3[nH]2)CC1 ZINC000871071840 641185480 /nfs/dbraw/zinc/18/54/80/641185480.db2.gz FUIGOTUZPZHZBK-UHFFFAOYSA-N 0 1 254.293 2.563 20 30 CFEDMN N#Cc1ccc2nc(NC(=O)C3CC4(CC4)C3)[nH]c2c1 ZINC000871072728 641186297 /nfs/dbraw/zinc/18/62/97/641186297.db2.gz OSYSCKJJIAVVFV-UHFFFAOYSA-N 0 1 266.304 2.563 20 30 CFEDMN C=C(C)C(C)(C)C(=O)NOCCCC(F)(F)F ZINC000871217055 641253357 /nfs/dbraw/zinc/25/33/57/641253357.db2.gz JLXRXTFVTBTJNF-UHFFFAOYSA-N 0 1 253.264 2.979 20 30 CFEDMN CCCCCCCN(C)CC(C)(C)S(C)(=O)=O ZINC000123534340 641257595 /nfs/dbraw/zinc/25/75/95/641257595.db2.gz DZDKASDDTRTDEL-UHFFFAOYSA-N 0 1 263.447 2.712 20 30 CFEDMN C=CCNC(=O)N1CCC[C@@H](c2cc(C(C)C)[nH]n2)C1 ZINC000871624157 641371832 /nfs/dbraw/zinc/37/18/32/641371832.db2.gz SGYSWTPGBGROCB-GFCCVEGCSA-N 0 1 276.384 2.608 20 30 CFEDMN C[C@@H]1CCC2=NN(c3cc(C#N)cc(Cl)n3)C(=O)[C@H]2C1 ZINC000871954519 641526601 /nfs/dbraw/zinc/52/66/01/641526601.db2.gz KGOTWTQPFFJXGT-SCZZXKLOSA-N 0 1 288.738 2.745 20 30 CFEDMN Cc1[nH]n(C[C@H]2CCCC2(F)F)c(=O)c1CCC#N ZINC000871964245 641535118 /nfs/dbraw/zinc/53/51/18/641535118.db2.gz ZZIGJSYWJHHDNO-GHMZBOCLSA-N 0 1 269.295 2.560 20 30 CFEDMN Cc1[nH]n([C@@H]2CCOC3(CCCC3)C2)c(=O)c1CCC#N ZINC000871964015 641535528 /nfs/dbraw/zinc/53/55/28/641535528.db2.gz NXQJNKNARJJRRU-KGLIPLIRSA-N 0 1 289.379 2.616 20 30 CFEDMN CSCCCCC(=O)C(C#N)C(=O)Nc1ccccc1 ZINC000124004216 641725147 /nfs/dbraw/zinc/72/51/47/641725147.db2.gz NXMJFQPMRPWILF-ZDUSSCGKSA-N 0 1 290.388 2.867 20 30 CFEDMN c1ccc(CON=C2CCCN3CCSC[C@@H]23)cc1 ZINC000872340725 641759610 /nfs/dbraw/zinc/75/96/10/641759610.db2.gz MDGVNJRDOPVWQI-HNNXBMFYSA-N 0 1 276.405 2.770 20 30 CFEDMN COc1ccc(NN=C2CCc3cc(OC)ccc32)nc1 ZINC000872367641 641773433 /nfs/dbraw/zinc/77/34/33/641773433.db2.gz BRTNYRGZKDGDCW-UHFFFAOYSA-N 0 1 283.331 2.861 20 30 CFEDMN Cn1cc(NN=C2CCCc3c(F)cccc32)cn1 ZINC000872369808 641775993 /nfs/dbraw/zinc/77/59/93/641775993.db2.gz OZOOLPTXAHRISD-UHFFFAOYSA-N 0 1 258.300 2.712 20 30 CFEDMN CC[C@@H](C)CON=C1CCCN2CCSC[C@H]12 ZINC000872376495 641780953 /nfs/dbraw/zinc/78/09/53/641780953.db2.gz HORUQVYVFNRSTP-DGCLKSJQSA-N 0 1 256.415 2.616 20 30 CFEDMN C[C@H]1C(N=Nc2cc(Cl)nc(Cl)c2)CCN1C ZINC000872382290 641784142 /nfs/dbraw/zinc/78/41/42/641784142.db2.gz NOMBAUVMZHMHNC-ZETCQYMHSA-N 0 1 273.167 2.880 20 30 CFEDMN CC(N=Nc1ccnc(C(F)(F)F)c1)c1cn(C)cn1 ZINC000872393643 641788855 /nfs/dbraw/zinc/78/88/55/641788855.db2.gz CZLQINSKCGHMJH-UHFFFAOYSA-N 0 1 283.257 2.670 20 30 CFEDMN Cc1cc(=NN=C2CCCc3c(F)cccc32)nc(N)[nH]1 ZINC000872421537 641806887 /nfs/dbraw/zinc/80/68/87/641806887.db2.gz NYOJCPWFFIYQPJ-UHFFFAOYSA-N 0 1 285.326 2.659 20 30 CFEDMN C=CCCN(C)CN1C[C@H](Cc2ccccc2)CC1=O ZINC000872599363 641870838 /nfs/dbraw/zinc/87/08/38/641870838.db2.gz NHXYQFODZBLXHO-MRXNPFEDSA-N 0 1 272.392 2.543 20 30 CFEDMN N#Cc1c(F)cccc1CNCC[C@H](O)C1CCCC1 ZINC000873152373 642033331 /nfs/dbraw/zinc/03/33/31/642033331.db2.gz MXMBPNFKJRYZJF-INIZCTEOSA-N 0 1 276.355 2.728 20 30 CFEDMN C=CCCn1cc(CNC2CC(Nc3ccccc3)C2)nn1 ZINC000873189692 642057474 /nfs/dbraw/zinc/05/74/74/642057474.db2.gz WHCVQWCQJFCNHI-UHFFFAOYSA-N 0 1 297.406 2.587 20 30 CFEDMN C=C(Br)CN[C@H](COC)Cc1ccccc1 ZINC000125092515 642433774 /nfs/dbraw/zinc/43/37/74/642433774.db2.gz WDDSZFIWTDYUTD-ZDUSSCGKSA-N 0 1 284.197 2.742 20 30 CFEDMN CCCCCCCNC(=O)N[C@H](C)c1n[nH]c(CC)n1 ZINC000875764686 642682683 /nfs/dbraw/zinc/68/26/83/642682683.db2.gz NZKRJYLOEOHNGJ-LLVKDONJSA-N 0 1 281.404 2.698 20 30 CFEDMN C=CC(C)(C)CCCNC(=O)N[C@@H](C)c1n[nH]c(CC)n1 ZINC000876320107 642822533 /nfs/dbraw/zinc/82/25/33/642822533.db2.gz AJTBHKBWSKSHOG-NSHDSACASA-N 0 1 293.415 2.720 20 30 CFEDMN CCOC(=O)N1CCC(C)(CN(CC)C[C@@H](C)C#N)CC1 ZINC000876617219 642946847 /nfs/dbraw/zinc/94/68/47/642946847.db2.gz HRYAKZVWEVDZGT-AWEZNQCLSA-N 0 1 295.427 2.727 20 30 CFEDMN C[C@@H]1CN(Cc2cc(C#N)ccc2N(C)C)CCS1 ZINC000876688662 642973854 /nfs/dbraw/zinc/97/38/54/642973854.db2.gz UWMIZMFVGSMJTJ-GFCCVEGCSA-N 0 1 275.421 2.562 20 30 CFEDMN N#Cc1cnc(Cl)c(CN2CCC[C@@H]3COCC[C@@H]32)c1 ZINC000876802889 643014661 /nfs/dbraw/zinc/01/46/61/643014661.db2.gz SSFATQBEXXMQIC-OCCSQVGLSA-N 0 1 291.782 2.608 20 30 CFEDMN C=CC[C@H](NCc1cc(OC)ns1)c1ccncc1 ZINC000877046199 643118552 /nfs/dbraw/zinc/11/85/52/643118552.db2.gz IMKYZHOBNCCKFT-ZDUSSCGKSA-N 0 1 275.377 2.954 20 30 CFEDMN CC(C)NC(=O)C(C#N)C(=O)[C@H]1CC[C@H](C(C)C)CC1 ZINC000245546536 650822522 /nfs/dbraw/zinc/82/25/22/650822522.db2.gz NAWWDILCVIIDRY-IHRRRGAJSA-N 0 1 278.396 2.682 20 30 CFEDMN C[C@H]1CCC[C@@H](CNCc2cc(C#N)cnc2Cl)O1 ZINC000877630037 643413683 /nfs/dbraw/zinc/41/36/83/643413683.db2.gz DQHJNHHRAPCORM-GWCFXTLKSA-N 0 1 279.771 2.654 20 30 CFEDMN C#CCCCCCCN1CCO[C@@](C)(C(F)F)C1 ZINC000877644169 643428544 /nfs/dbraw/zinc/42/85/44/643428544.db2.gz RRRMCZHOIVVMAB-CQSZACIVSA-N 0 1 259.340 2.926 20 30 CFEDMN CCC[C@@H](CNCc1cc(C#N)cnc1Cl)OCC ZINC000877651612 643432064 /nfs/dbraw/zinc/43/20/64/643432064.db2.gz YXPQCEVJROXERH-ZDUSSCGKSA-N 0 1 281.787 2.901 20 30 CFEDMN Cc1cc(CNC2CCN(c3ccccc3C#N)CC2)no1 ZINC000877682759 643451370 /nfs/dbraw/zinc/45/13/70/643451370.db2.gz SMIIXJLNZMSEOE-UHFFFAOYSA-N 0 1 296.374 2.613 20 30 CFEDMN CN(CCc1cccc(C#N)c1)Cc1cc2n(n1)CCCC2 ZINC000877705328 643472047 /nfs/dbraw/zinc/47/20/47/643472047.db2.gz ZWOQGPYFQTYATC-UHFFFAOYSA-N 0 1 294.402 2.766 20 30 CFEDMN CC(C)(C)c1[nH]n(CCOC2CC2)c(=O)c1CCC#N ZINC000877878664 643618197 /nfs/dbraw/zinc/61/81/97/643618197.db2.gz CIUDPDJIGPNUIY-UHFFFAOYSA-N 0 1 277.368 2.521 20 30 CFEDMN C=CC[C@H](C)N1CCN(C(=O)c2ccc(F)cc2)CC1 ZINC000877900325 643630507 /nfs/dbraw/zinc/63/05/07/643630507.db2.gz RMWPMKGWYYTIDY-ZDUSSCGKSA-N 0 1 276.355 2.548 20 30 CFEDMN C=CC[C@H](C)N1CCN(C(=O)c2cccc(F)c2)CC1 ZINC000877918309 643641165 /nfs/dbraw/zinc/64/11/65/643641165.db2.gz GLJGBHWMKOBDJB-ZDUSSCGKSA-N 0 1 276.355 2.548 20 30 CFEDMN C=CCN(C[C@@H](C)CC(C)(C)C)[C@H]1CCS(=O)(=O)C1 ZINC000878241292 643805199 /nfs/dbraw/zinc/80/51/99/643805199.db2.gz DKVVHHKHUPYYBQ-KBPBESRZSA-N 0 1 287.469 2.734 20 30 CFEDMN C#CCCCCCN[C@@H](CO)c1c(F)cccc1F ZINC000878395120 643871404 /nfs/dbraw/zinc/87/14/04/643871404.db2.gz VGIJEWGUTBUBLB-AWEZNQCLSA-N 0 1 267.319 2.781 20 30 CFEDMN C=CCCN(C)Cc1nnc(-c2ccccc2[N+](=O)[O-])o1 ZINC000878491101 643915277 /nfs/dbraw/zinc/91/52/77/643915277.db2.gz WIWDFFCYTAZDTD-UHFFFAOYSA-N 0 1 288.307 2.653 20 30 CFEDMN C#CCCCCCN([C@@H](C)C(=O)OCC)C1CC1 ZINC000878494476 643916572 /nfs/dbraw/zinc/91/65/72/643916572.db2.gz NGMZTNCREVWVTA-ZDUSSCGKSA-N 0 1 251.370 2.596 20 30 CFEDMN C=CC[C@@H](C)N1CCO[C@@H](COc2ccccc2)C1 ZINC000878500561 643918047 /nfs/dbraw/zinc/91/80/47/643918047.db2.gz APWMAIRFXPQPFN-GDBMZVCRSA-N 0 1 261.365 2.731 20 30 CFEDMN C=C(C)CN(CC[C@H](O)C(C)C)Cc1ccc(CO)o1 ZINC000878605549 643954805 /nfs/dbraw/zinc/95/48/05/643954805.db2.gz BJXBZYJEVGGNDC-INIZCTEOSA-N 0 1 281.396 2.557 20 30 CFEDMN C=CC[C@H](C)N1CCc2c(nnn2-c2ccccc2)C1 ZINC000878648899 643974277 /nfs/dbraw/zinc/97/42/77/643974277.db2.gz VBRYRZJBNIKGHY-ZDUSSCGKSA-N 0 1 268.364 2.590 20 30 CFEDMN C[C@@H]1CCc2[nH]ncc2[C@H]1C(=O)Nc1ccc(F)c(C#N)c1 ZINC000878707611 643999788 /nfs/dbraw/zinc/99/97/88/643999788.db2.gz VFJLLVIJUQIHBD-PSLIRLAXSA-N 0 1 298.321 2.725 20 30 CFEDMN CCOc1ccc(CN2C[C@@H](C)N(CC#N)[C@@H](C)C2)cc1 ZINC000878776410 644023128 /nfs/dbraw/zinc/02/31/28/644023128.db2.gz VRJHPLKXOOZSRV-GASCZTMLSA-N 0 1 287.407 2.503 20 30 CFEDMN C=CC1CCN(C(=O)[C@@H]2c3cn[nH]c3CC[C@H]2C)CC1 ZINC000878804606 644033768 /nfs/dbraw/zinc/03/37/68/644033768.db2.gz XFKMWBKOHUEEFV-ABAIWWIYSA-N 0 1 273.380 2.500 20 30 CFEDMN C[C@H](CC#N)NC[C@H](O)CO[C@H](C)c1ccc(Cl)cc1 ZINC000878817425 644036832 /nfs/dbraw/zinc/03/68/32/644036832.db2.gz SWFIIEGSKQPEAR-JMSVASOKSA-N 0 1 296.798 2.670 20 30 CFEDMN C=CCCC[C@@H](C(=O)NCCc1nc[nH]n1)c1ccccc1 ZINC000878981579 644097200 /nfs/dbraw/zinc/09/72/00/644097200.db2.gz LURIRAUMTNTIRL-OAHLLOKOSA-N 0 1 298.390 2.604 20 30 CFEDMN N#Cc1ccc(O)c(NC(=O)C[C@@H]2C[C@H]2C2CC2)c1 ZINC000879067555 644131752 /nfs/dbraw/zinc/13/17/52/644131752.db2.gz WMINLPWZOKVSAF-RYUDHWBXSA-N 0 1 256.305 2.639 20 30 CFEDMN N#Cc1cnccc1CN1CCC[C@H]1[C@@H](O)c1ccccc1 ZINC000879245526 644192433 /nfs/dbraw/zinc/19/24/33/644192433.db2.gz KRVHGTXUBZGFSH-ROUUACIJSA-N 0 1 293.370 2.651 20 30 CFEDMN CN(CCCNC(=O)OC(C)(C)C)[C@@H]1CCC[C@H]1C#N ZINC000879309721 644216753 /nfs/dbraw/zinc/21/67/53/644216753.db2.gz PTAKHSKZFHUARP-QWHCGFSZSA-N 0 1 281.400 2.525 20 30 CFEDMN CN(CCC(=O)OCc1ccccc1)[C@H]1CCC[C@H]1C#N ZINC000879312007 644220468 /nfs/dbraw/zinc/22/04/68/644220468.db2.gz ZZLFOSXYBQOFID-HOTGVXAUSA-N 0 1 286.375 2.744 20 30 CFEDMN C=CC[C@@H](C)N1CCc2nnn(C3CC(C)C3)c2C1 ZINC000879330989 644235694 /nfs/dbraw/zinc/23/56/94/644235694.db2.gz SSFGZMASLJUWBU-OTTFEQOBSA-N 0 1 260.385 2.572 20 30 CFEDMN CCC#C[C@H](C)N1Cc2cccnc2N2CCC[C@@H]2C1 ZINC000879502583 644293198 /nfs/dbraw/zinc/29/31/98/644293198.db2.gz ZMPNZBJRGWWKLW-GOEBONIOSA-N 0 1 269.392 2.668 20 30 CFEDMN Cc1c(C(=O)Nc2cc(C#N)ccc2O)cnn1C(C)C ZINC000092551835 650922238 /nfs/dbraw/zinc/92/22/38/650922238.db2.gz GCRDRPGNEJIVCF-UHFFFAOYSA-N 0 1 284.319 2.602 20 30 CFEDMN C=C(CNC(=O)[C@@H]1c2cn[nH]c2CC[C@H]1C)c1ccccc1 ZINC000879995200 644486551 /nfs/dbraw/zinc/48/65/51/644486551.db2.gz ANURCMJBIOTZCZ-PXAZEXFGSA-N 0 1 295.386 2.905 20 30 CFEDMN CC(=O)Nc1ccc2c(c1)C[N@H+](CCCCC#N)CC2 ZINC000880029748 644508131 /nfs/dbraw/zinc/50/81/31/644508131.db2.gz VVGPCGQWFJMCOY-UHFFFAOYSA-N 0 1 271.364 2.697 20 30 CFEDMN C=C(C)CCN1C[C@H]2CC[C@@H](C1)N2C(=O)c1ccc(C)o1 ZINC001017326593 650930757 /nfs/dbraw/zinc/93/07/57/650930757.db2.gz FJAPSAPXLGBPIH-GASCZTMLSA-N 0 1 288.391 2.843 20 30 CFEDMN CC(=O)[C@@](C#N)(CCN1CCC(F)CC1)c1ccccc1 ZINC000880239009 644601786 /nfs/dbraw/zinc/60/17/86/644601786.db2.gz QVVOJNYTGKUAJU-KRWDZBQOSA-N 0 1 288.366 2.861 20 30 CFEDMN Cc1cc(C#N)cc(NC(=O)[C@H]2c3cn[nH]c3CC[C@@H]2C)c1 ZINC000880245069 644608048 /nfs/dbraw/zinc/60/80/48/644608048.db2.gz HGWUQCUMHIYQPP-MEDUHNTESA-N 0 1 294.358 2.894 20 30 CFEDMN N#Cc1ccc(CCNC2(c3ncccn3)CCC2)cc1 ZINC000880367748 644670409 /nfs/dbraw/zinc/67/04/09/644670409.db2.gz LTQXKRHJZHVECW-UHFFFAOYSA-N 0 1 278.359 2.560 20 30 CFEDMN CCN(Cc1ccc(C#N)o1)[C@H](CO)c1ccccc1 ZINC000880462914 644720754 /nfs/dbraw/zinc/72/07/54/644720754.db2.gz KVOWREUVTWFEDJ-MRXNPFEDSA-N 0 1 270.332 2.707 20 30 CFEDMN C=C1C[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1c2cn[nH]c2CC[C@@H]1C ZINC000880749693 644826424 /nfs/dbraw/zinc/82/64/24/644826424.db2.gz OGUUXZXDBKGTJI-BCUIYNNISA-N 0 1 285.391 2.785 20 30 CFEDMN C=C1C[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1c2cn[nH]c2CC[C@H]1C ZINC000880749696 644826628 /nfs/dbraw/zinc/82/66/28/644826628.db2.gz OGUUXZXDBKGTJI-NFFDBFGFSA-N 0 1 285.391 2.785 20 30 CFEDMN CC(C)C(N)=NOCc1nn(-c2ccccc2)c2c1CCC2 ZINC000128628415 644840423 /nfs/dbraw/zinc/84/04/23/644840423.db2.gz NGAOGZIIWVDTQM-UHFFFAOYSA-N 0 1 298.390 2.806 20 30 CFEDMN CC(C)C(N)=NOCc1coc(-c2ccc(F)cc2)n1 ZINC000128632024 644841791 /nfs/dbraw/zinc/84/17/91/644841791.db2.gz FTKZDZSXHOAAMV-UHFFFAOYSA-N 0 1 277.299 2.926 20 30 CFEDMN C[C@@H]1CCc2[nH]ncc2[C@H]1C(=O)Nc1cc(F)cc(C#N)c1 ZINC000880978025 644887265 /nfs/dbraw/zinc/88/72/65/644887265.db2.gz FAARIEDYXDVFLA-PSLIRLAXSA-N 0 1 298.321 2.725 20 30 CFEDMN CCc1cc(C)c(C(=O)C(C#N)C(=O)Nc2ccccn2)o1 ZINC000128873687 644929464 /nfs/dbraw/zinc/92/94/64/644929464.db2.gz ZUILLEAQXUZNNO-LBPRGKRZSA-N 0 1 297.314 2.507 20 30 CFEDMN C=CCN1C(=O)N=NC1SC[C@@H]1CC(C)(C)OC1(C)C ZINC000882139353 645217406 /nfs/dbraw/zinc/21/74/06/645217406.db2.gz VMNXUAIUKBRNDW-JTQLQIEISA-N 0 1 297.424 2.856 20 30 CFEDMN C=CCN1CCC[C@@H](NC(=O)CC2CCCCC2)C1 ZINC001006682810 651128195 /nfs/dbraw/zinc/12/81/95/651128195.db2.gz WCFDVFVCSZXOFH-OAHLLOKOSA-N 0 1 264.413 2.723 20 30 CFEDMN C#Cc1ccc(CNCc2ccc3c(n2)CCC3)cc1 ZINC000883132553 645618975 /nfs/dbraw/zinc/61/89/75/645618975.db2.gz VVKWXJLMIOBZDS-UHFFFAOYSA-N 0 1 262.356 2.841 20 30 CFEDMN C=CCC[C@H](CO)NCc1c(Cl)cncc1Cl ZINC000883138544 645622218 /nfs/dbraw/zinc/62/22/18/645622218.db2.gz HQKFRZBFALGNDI-SECBINFHSA-N 0 1 275.179 2.805 20 30 CFEDMN C=CCC[C@H](NCc1csc(N(C)C)n1)[C@@H]1CCCO1 ZINC000883195014 645655754 /nfs/dbraw/zinc/65/57/54/645655754.db2.gz JBYOJRMTUMUDTH-KBPBESRZSA-N 0 1 295.452 2.813 20 30 CFEDMN C=CCC[C@@H](NCc1ncccc1F)[C@H]1CCCO1 ZINC000883207853 645664468 /nfs/dbraw/zinc/66/44/68/645664468.db2.gz UKCNJBJHNAWYLQ-UKRRQHHQSA-N 0 1 264.344 2.824 20 30 CFEDMN C=CCNC(=O)CN[C@@H](CC)c1sccc1Cl ZINC000883213955 645668826 /nfs/dbraw/zinc/66/88/26/645668826.db2.gz UTVRNEPVMZVKSS-JTQLQIEISA-N 0 1 272.801 2.744 20 30 CFEDMN C=C(C)C[C@H](CO)NCc1csc(C(C)(C)C)n1 ZINC000883401554 645798391 /nfs/dbraw/zinc/79/83/91/645798391.db2.gz QBUMFMKMDHMVBM-LLVKDONJSA-N 0 1 268.426 2.857 20 30 CFEDMN CC#CCN1CCC(N(C)C(=O)c2cccc(C)c2C)CC1 ZINC001006357502 646004372 /nfs/dbraw/zinc/00/43/72/646004372.db2.gz PQOFBISAJXNHIT-UHFFFAOYSA-N 0 1 298.430 2.863 20 30 CFEDMN Cc1cc(C(=O)Nc2cc(C#N)ccc2O)cc(Cl)n1 ZINC000133491536 646104976 /nfs/dbraw/zinc/10/49/76/646104976.db2.gz UFTSWNACLZHWDW-UHFFFAOYSA-N 0 1 287.706 2.873 20 30 CFEDMN CC(=NN=c1cc[nH]c(N(C)C)n1)c1c(C)cc(O)cc1C ZINC000884432276 646355546 /nfs/dbraw/zinc/35/55/46/646355546.db2.gz ZGJQSPCHDMAOCS-UHFFFAOYSA-N 0 1 299.378 2.701 20 30 CFEDMN Cc1n[nH]c(CN=Nc2cccc(C(F)(F)F)n2)c1C ZINC000884432258 646356361 /nfs/dbraw/zinc/35/63/61/646356361.db2.gz YPEOWIHCKNONCW-UHFFFAOYSA-N 0 1 283.257 2.886 20 30 CFEDMN Cc1[nH]nc(CN=Nc2cccc(C(F)(F)F)n2)c1C ZINC000884432258 646356371 /nfs/dbraw/zinc/35/63/71/646356371.db2.gz YPEOWIHCKNONCW-UHFFFAOYSA-N 0 1 283.257 2.886 20 30 CFEDMN C#CCN1CCC[C@@H](Nc2ccnc(C(F)(F)F)c2)C1 ZINC000884611966 646487259 /nfs/dbraw/zinc/48/72/59/646487259.db2.gz ZZWJZWAMBNKURB-GFCCVEGCSA-N 0 1 283.297 2.610 20 30 CFEDMN C[C@H]1CCc2[nH]ncc2[C@H]1C(=O)OCc1cccc(C#N)c1 ZINC000885259159 646649834 /nfs/dbraw/zinc/64/98/34/646649834.db2.gz KSLGLDRNFIAPEZ-ZBEGNZNMSA-N 0 1 295.342 2.691 20 30 CFEDMN C=C1CCC(C(=O)OCc2nnc(C(C)(C)C)[nH]2)CC1 ZINC000885649542 646728042 /nfs/dbraw/zinc/72/80/42/646728042.db2.gz AXWWAIZURXVUJD-UHFFFAOYSA-N 0 1 277.368 2.892 20 30 CFEDMN C=C1CCC(C(=O)OCc2n[nH]c(C(C)(C)C)n2)CC1 ZINC000885649542 646728045 /nfs/dbraw/zinc/72/80/45/646728045.db2.gz AXWWAIZURXVUJD-UHFFFAOYSA-N 0 1 277.368 2.892 20 30 CFEDMN CC[C@@H](C#N)Oc1cccc(CNCc2[nH]nc(C)c2C)c1 ZINC000885985723 646796830 /nfs/dbraw/zinc/79/68/30/646796830.db2.gz PEMAYUHRIMQWNL-HNNXBMFYSA-N 0 1 298.390 2.997 20 30 CFEDMN C#CCN1CCC[C@H](NCc2nc(C(C)(C)C)cs2)C1 ZINC000886208922 646922150 /nfs/dbraw/zinc/92/21/50/646922150.db2.gz AETJFAOLOWZWSX-ZDUSSCGKSA-N 0 1 291.464 2.628 20 30 CFEDMN CSc1ccc(CNCc2cn(C)nc2C)cc1C#N ZINC000886277628 646948068 /nfs/dbraw/zinc/94/80/68/646948068.db2.gz WYYNUSDFOMQPDS-UHFFFAOYSA-N 0 1 286.404 2.612 20 30 CFEDMN C=C1C[C@H]2CC[C@@H](C1)N2Cc1cccnc1[N+](=O)[O-] ZINC000886285991 646953155 /nfs/dbraw/zinc/95/31/55/646953155.db2.gz YJSNCZJPDVJCMZ-BETUJISGSA-N 0 1 259.309 2.673 20 30 CFEDMN C#CC[C@H]1CC[N@H+]([C@@H](C)C(=O)Nc2cccc(C)c2C)C1 ZINC000886353825 646982892 /nfs/dbraw/zinc/98/28/92/646982892.db2.gz QSECHELDNCRTQP-HOTGVXAUSA-N 0 1 284.403 2.976 20 30 CFEDMN C#CC[C@H]1CC[N@H+]([C@H](C)C(=O)N2CCCc3ccccc32)C1 ZINC000886354028 646982905 /nfs/dbraw/zinc/98/29/05/646982905.db2.gz UWRGLWIDDDJSML-CVEARBPZSA-N 0 1 296.414 2.700 20 30 CFEDMN C#CC[C@@H]1CC[N@H+](CC(=O)N2CCC[C@H]3CCCC[C@H]32)C1 ZINC000886354153 646983184 /nfs/dbraw/zinc/98/31/84/646983184.db2.gz XIYYMRDLDXLVDZ-BRWVUGGUSA-N 0 1 288.435 2.513 20 30 CFEDMN C#CC[C@@H]1CC[N@H+](CC(=O)Nc2cccc(SC)c2)C1 ZINC000886353137 646983423 /nfs/dbraw/zinc/98/34/23/646983423.db2.gz CEWSYHVJHLAHJY-CYBMUJFWSA-N 0 1 288.416 2.692 20 30 CFEDMN C#CC[C@@H]1CCN(CC(=O)Nc2cccc(SC)c2)C1 ZINC000886353137 646983427 /nfs/dbraw/zinc/98/34/27/646983427.db2.gz CEWSYHVJHLAHJY-CYBMUJFWSA-N 0 1 288.416 2.692 20 30 CFEDMN C#CC[C@H]1CCN([C@H](C)c2cn(-c3ccccc3)nn2)C1 ZINC000886359595 646986997 /nfs/dbraw/zinc/98/69/97/646986997.db2.gz GEDQFJGMABEQQF-CABCVRRESA-N 0 1 280.375 2.674 20 30 CFEDMN C#CC[C@H]1CCN([C@H](C)c2nc3ccccc3c(=O)[nH]2)C1 ZINC000886360662 646987165 /nfs/dbraw/zinc/98/71/65/646987165.db2.gz ZFDIUGLTEZOYIC-OLZOCXBDSA-N 0 1 281.359 2.742 20 30 CFEDMN C[C@@H]1CCN(CC(=O)NC2(C#N)CCC2)[C@H]1c1ccccc1 ZINC000886543739 647040876 /nfs/dbraw/zinc/04/08/76/647040876.db2.gz UUPRMSVVCZJJEN-RHSMWYFYSA-N 0 1 297.402 2.632 20 30 CFEDMN CC(C)[C@H](NCc1ccc(C#N)s1)c1cnn(C)c1 ZINC000886628680 647076357 /nfs/dbraw/zinc/07/63/57/647076357.db2.gz YWTWDTRKHVSAIU-AWEZNQCLSA-N 0 1 274.393 2.840 20 30 CFEDMN Cc1nc(C2CCN(C[C@H](C#N)CCC#N)CC2)[nH]c1C ZINC000886669599 647101007 /nfs/dbraw/zinc/10/10/07/647101007.db2.gz AZZOAPCKPMCPNZ-AWEZNQCLSA-N 0 1 285.395 2.650 20 30 CFEDMN Cc1csc(C[C@@H]2CCC[N@H+](CCO[C@@H](C)C#N)C2)n1 ZINC000886691757 647113462 /nfs/dbraw/zinc/11/34/62/647113462.db2.gz LSIJRDBHYXQUTR-KBPBESRZSA-N 0 1 293.436 2.635 20 30 CFEDMN C=CCC1(O)CCN(Cc2cnn(-c3ccccc3)c2)CC1 ZINC000886762458 647130496 /nfs/dbraw/zinc/13/04/96/647130496.db2.gz ZEINFBVYYVSJHX-UHFFFAOYSA-N 0 1 297.402 2.775 20 30 CFEDMN Cc1ccc(CN2CC[C@@](CO)(C(F)(F)F)C2)cc1C#N ZINC000886813280 647149363 /nfs/dbraw/zinc/14/93/63/647149363.db2.gz IBKWJYCCBKRNNP-CQSZACIVSA-N 0 1 298.308 2.613 20 30 CFEDMN N#Cc1c(F)cccc1CN1CC[C@@H]([C@H]2CCCO2)C1 ZINC000886818468 647150964 /nfs/dbraw/zinc/15/09/64/647150964.db2.gz FVXOWXFBSHBCIE-CZUORRHYSA-N 0 1 274.339 2.698 20 30 CFEDMN C#CCC1(NCc2ccn(C(CC)CC)n2)CCOCC1 ZINC000887123640 647219175 /nfs/dbraw/zinc/21/91/75/647219175.db2.gz YFBZTZVOQPNZHW-UHFFFAOYSA-N 0 1 289.423 2.906 20 30 CFEDMN CSCc1nnc(CN=Cc2cc(Cl)ccc2O)[nH]1 ZINC000887272618 647258355 /nfs/dbraw/zinc/25/83/55/647258355.db2.gz RBJRDJNTUFKTJG-LHHJGKSTSA-N 0 1 296.783 2.646 20 30 CFEDMN CSCc1n[nH]c(CN=Cc2cc(Cl)ccc2O)n1 ZINC000887272618 647258352 /nfs/dbraw/zinc/25/83/52/647258352.db2.gz RBJRDJNTUFKTJG-LHHJGKSTSA-N 0 1 296.783 2.646 20 30 CFEDMN C[C@H](CC(C)(C)C#N)NCc1nccn1C(F)F ZINC000924836045 648056208 /nfs/dbraw/zinc/05/62/08/648056208.db2.gz OTCBIVKYIHWTJI-SECBINFHSA-N 0 1 256.300 2.696 20 30 CFEDMN CC[C@@H]([NH2+]C[C@@H]1CCCN(C)C1)c1cccc(C#N)c1[O-] ZINC000925011929 648088803 /nfs/dbraw/zinc/08/88/03/648088803.db2.gz SUQTZTUGCXFGNX-XJKSGUPXSA-N 0 1 287.407 2.646 20 30 CFEDMN COc1ccccc1[C@@H](CO)N[C@H](C)CC(C)(C)C#N ZINC000925425299 648166473 /nfs/dbraw/zinc/16/64/73/648166473.db2.gz QLCSHIGKAXXPJL-TZMCWYRMSA-N 0 1 276.380 2.647 20 30 CFEDMN CC[C@H]([NH2+][C@@H](C)Cc1cc(C)[nH]n1)c1cccc(C#N)c1[O-] ZINC000925561183 648218063 /nfs/dbraw/zinc/21/80/63/648218063.db2.gz JFMPQUWOUXJBKF-ZBEGNZNMSA-N 0 1 298.390 2.967 20 30 CFEDMN COC1(OC)CC[C@H]1N[C@@H](CCC#N)c1ccccc1 ZINC000925601792 648235527 /nfs/dbraw/zinc/23/55/27/648235527.db2.gz OVCIGPWEANYPCB-LSDHHAIUSA-N 0 1 274.364 2.773 20 30 CFEDMN CC[C@@H]([NH2+]Cc1cc(N)ccn1)c1ccc(C#N)cc1 ZINC000925766275 648312724 /nfs/dbraw/zinc/31/27/24/648312724.db2.gz IQEZPDYUPZCNER-MRXNPFEDSA-N 0 1 266.348 2.776 20 30 CFEDMN C[C@@H](CC(C)(C)C#N)NCc1nn(C)c2ccccc12 ZINC000926172323 648423518 /nfs/dbraw/zinc/42/35/18/648423518.db2.gz UNVJNFXSYOFWST-LBPRGKRZSA-N 0 1 270.380 2.991 20 30 CFEDMN C[C@H](NCC1(CC#N)CC1)c1cccc2c1OCO2 ZINC000926344656 648467790 /nfs/dbraw/zinc/46/77/90/648467790.db2.gz MCQWRKNDZNDPTO-NSHDSACASA-N 0 1 258.321 2.760 20 30 CFEDMN C=CCOc1ccc(CN[C@@H](C)c2ccnnc2)cc1 ZINC000926400800 648477537 /nfs/dbraw/zinc/47/75/37/648477537.db2.gz JNJYVMKUFCVEDX-ZDUSSCGKSA-N 0 1 269.348 2.892 20 30 CFEDMN C[C@H](NCC1(C#N)CCC1)C1(Br)CC1 ZINC000926623145 648552716 /nfs/dbraw/zinc/55/27/16/648552716.db2.gz BALKEDKANQFEKO-VIFPVBQESA-N 0 1 257.175 2.586 20 30 CFEDMN C=CCCC(C)(C)CN[C@H](C)c1cc(CO)on1 ZINC000926780555 648612341 /nfs/dbraw/zinc/61/23/41/648612341.db2.gz DHCVLWHZBSBSPR-LLVKDONJSA-N 0 1 252.358 2.810 20 30 CFEDMN CCCCCc1cc(C(=O)N2CCC[C@H](C#N)C2)n[nH]1 ZINC000928214445 648873880 /nfs/dbraw/zinc/87/38/80/648873880.db2.gz NYRMJTPIUCJIGQ-GFCCVEGCSA-N 0 1 274.368 2.518 20 30 CFEDMN N#C[C@H]1CCCN(C(=O)c2cc(-c3cccs3)[nH]n2)C1 ZINC000928226331 648878720 /nfs/dbraw/zinc/87/87/20/648878720.db2.gz MFQANHSCXUPRQE-SNVBAGLBSA-N 0 1 286.360 2.514 20 30 CFEDMN N#CCCc1ccc(NC(=O)[C@@H]2CCCc3[nH]ncc32)cc1 ZINC000928405158 648908627 /nfs/dbraw/zinc/90/86/27/648908627.db2.gz YINVMYPHGAMOCG-CQSZACIVSA-N 0 1 294.358 2.924 20 30 CFEDMN C=CCC[C@H](C(=O)NC[C@H]1CCN1C)c1ccccc1 ZINC000928556522 648924740 /nfs/dbraw/zinc/92/47/40/648924740.db2.gz AORQXHYJSCHOOW-CVEARBPZSA-N 0 1 272.392 2.557 20 30 CFEDMN C#CCN1CCC(NC(=O)c2ccc(CCCC)cc2)CC1 ZINC000928658536 648939080 /nfs/dbraw/zinc/93/90/80/648939080.db2.gz KWNAXMDPAAWVHC-UHFFFAOYSA-N 0 1 298.430 2.857 20 30 CFEDMN C#CCN1CCC(NC(=O)C=C2CCC(C)(C)CC2)CC1 ZINC000928654534 648939121 /nfs/dbraw/zinc/93/91/21/648939121.db2.gz GKZQPJSOEPDCFZ-UHFFFAOYSA-N 0 1 288.435 2.727 20 30 CFEDMN C#CCN1CCC(NC(=O)CCCCc2ccccc2)CC1 ZINC000928661265 648939860 /nfs/dbraw/zinc/93/98/60/648939860.db2.gz ZJJZNANXAVJWAS-UHFFFAOYSA-N 0 1 298.430 2.613 20 30 CFEDMN Cc1cc(C#N)cc(C)c1C[N@@H+]1C[C@H](C)OC[C@@H]1C ZINC000929183632 648996868 /nfs/dbraw/zinc/99/68/68/648996868.db2.gz YTXAVIFGFJGDAT-KBPBESRZSA-N 0 1 258.365 2.784 20 30 CFEDMN Cc1cc(C#N)cc(C)c1CN1C[C@H](C)OC[C@@H]1C ZINC000929183632 648996870 /nfs/dbraw/zinc/99/68/70/648996870.db2.gz YTXAVIFGFJGDAT-KBPBESRZSA-N 0 1 258.365 2.784 20 30 CFEDMN C[N@@H+](CCn1cccn1)Cc1cc(Cl)cc(C#N)c1 ZINC000929621528 649080916 /nfs/dbraw/zinc/08/09/16/649080916.db2.gz ODRXUCBHIHWVHL-UHFFFAOYSA-N 0 1 274.755 2.540 20 30 CFEDMN CN(CCn1cccn1)Cc1cc(Cl)cc(C#N)c1 ZINC000929621528 649080918 /nfs/dbraw/zinc/08/09/18/649080918.db2.gz ODRXUCBHIHWVHL-UHFFFAOYSA-N 0 1 274.755 2.540 20 30 CFEDMN C[C@@H](O)C1CCN(Cc2cc(Cl)cc(C#N)c2)CC1 ZINC000929620531 649080943 /nfs/dbraw/zinc/08/09/43/649080943.db2.gz CKUMIKCVANNPTC-LLVKDONJSA-N 0 1 278.783 2.804 20 30 CFEDMN Cc1ccc([C@@H]2C[C@H](C)CCN2C[C@H](O)CC#N)o1 ZINC000929760642 649114691 /nfs/dbraw/zinc/11/46/91/649114691.db2.gz VDRJBLRRARVPLU-BNOWGMLFSA-N 0 1 262.353 2.636 20 30 CFEDMN COC(=O)[C@@H]1CCCC[C@H]1CN(CCC#N)CC1CC1 ZINC000929775545 649118161 /nfs/dbraw/zinc/11/81/61/649118161.db2.gz NMBNKWIPWMIZOE-LSDHHAIUSA-N 0 1 278.396 2.591 20 30 CFEDMN CC(C)OC(=O)[C@H](C)N(C)CC1CCC(C#N)CC1 ZINC000929832773 649134924 /nfs/dbraw/zinc/13/49/24/649134924.db2.gz ABBIXOIMMCXDKU-HSBZDZAISA-N 0 1 266.385 2.588 20 30 CFEDMN CCOCCN(C)Cc1cc(Cl)cc(C#N)c1 ZINC000930176055 649198582 /nfs/dbraw/zinc/19/85/82/649198582.db2.gz PQQKENNYBCVDMS-UHFFFAOYSA-N 0 1 252.745 2.680 20 30 CFEDMN N#CC[C@]1(O)CC[N@@H+](C[C@H]2CCC3(CCCCCC3)O2)C1 ZINC000930819230 649330995 /nfs/dbraw/zinc/33/09/95/649330995.db2.gz UXCVYYVHYPXKSH-CVEARBPZSA-N 0 1 292.423 2.609 20 30 CFEDMN N#Cc1cncc(CN2CC[C@@H](Oc3ccccc3)C2)c1 ZINC000931062019 649372593 /nfs/dbraw/zinc/37/25/93/649372593.db2.gz MFXXMFQFCXVHDR-QGZVFWFLSA-N 0 1 279.343 2.607 20 30 CFEDMN N#Cc1cc(Cl)cc(CN2CC[C@@H]3COC[C@H]3C2)c1 ZINC000931060303 649372720 /nfs/dbraw/zinc/37/27/20/649372720.db2.gz SVUBCDXMVSRZFB-ZIAGYGMSSA-N 0 1 276.767 2.680 20 30 CFEDMN N#Cc1cncc(CN2CCC(c3ccc(F)cn3)CC2)c1 ZINC000931074862 649375884 /nfs/dbraw/zinc/37/58/84/649375884.db2.gz DDRPSMBENQZHCV-UHFFFAOYSA-N 0 1 296.349 2.867 20 30 CFEDMN N#Cc1cncc(CN[C@H](c2ccccn2)C2CCC2)c1 ZINC000931174521 649391210 /nfs/dbraw/zinc/39/12/10/649391210.db2.gz ZQPIKVRGENUIQJ-KRWDZBQOSA-N 0 1 278.359 2.979 20 30 CFEDMN CC(C)(C#N)c1ccccc1CN1CCNC(=O)CC1(C)C ZINC000931203644 649393634 /nfs/dbraw/zinc/39/36/34/649393634.db2.gz DROGENVLJCQYFT-UHFFFAOYSA-N 0 1 299.418 2.588 20 30 CFEDMN COC[C@@H]1CCCN1Cc1cc(Cl)cc(C#N)c1 ZINC000931257771 649398140 /nfs/dbraw/zinc/39/81/40/649398140.db2.gz TWHSGTLZOXZEEO-AWEZNQCLSA-N 0 1 264.756 2.822 20 30 CFEDMN CC[C@](C)(C#N)NC(=O)c1cccc2nc(C(F)F)[nH]c21 ZINC000931299430 649403427 /nfs/dbraw/zinc/40/34/27/649403427.db2.gz DKISRUVQNUDQGV-CQSZACIVSA-N 0 1 292.289 2.923 20 30 CFEDMN N#Cc1ccc(CN2CCc3nccc(N)c3C2)c(Cl)c1 ZINC000931519058 649446242 /nfs/dbraw/zinc/44/62/42/649446242.db2.gz QSOUIYASMIDTAC-UHFFFAOYSA-N 0 1 298.777 2.747 20 30 CFEDMN Cc1csc([C@@H]2CCN(Cc3cncc(C#N)c3)C2)n1 ZINC000931614871 649463489 /nfs/dbraw/zinc/46/34/89/649463489.db2.gz GOMLQLWXHSNREP-CQSZACIVSA-N 0 1 284.388 2.708 20 30 CFEDMN C#CCN(Cc1cc(C(=O)OC)c(C)o1)C(C)(C)C ZINC000932465508 649605978 /nfs/dbraw/zinc/60/59/78/649605978.db2.gz IPWIGGYSHBFAGL-UHFFFAOYSA-N 0 1 263.337 2.608 20 30 CFEDMN C#CCN(Cc1ccc([N+](=O)[O-])c(F)c1)C(C)(C)C ZINC000932463697 649606412 /nfs/dbraw/zinc/60/64/12/649606412.db2.gz LPCKLFSUANYQTB-UHFFFAOYSA-N 0 1 264.300 2.968 20 30 CFEDMN CCN(CCC#N)C(=O)CN[C@H](C)c1ccc(F)cc1C ZINC000932558163 649618895 /nfs/dbraw/zinc/61/88/95/649618895.db2.gz YRQKQOCNBXXCQZ-CYBMUJFWSA-N 0 1 291.370 2.547 20 30 CFEDMN CC(C)(C#N)CCCN1CCn2nc(C3CC3)cc2C1 ZINC000932605072 649627459 /nfs/dbraw/zinc/62/74/59/649627459.db2.gz AVCBTWJMCRGCHN-UHFFFAOYSA-N 0 1 272.396 2.906 20 30 CFEDMN C#CCN1CCC(Cc2nc3c(s2)CCC3)CC1 ZINC000932629595 649630826 /nfs/dbraw/zinc/63/08/26/649630826.db2.gz VADIZQYXIMEBDI-UHFFFAOYSA-N 0 1 260.406 2.520 20 30 CFEDMN CCOC(=O)/C=C\CN1CCC(c2ccc(C#N)cc2)CC1 ZINC000933607556 649705775 /nfs/dbraw/zinc/70/57/75/649705775.db2.gz SBNFQLROCCLYIU-ARJAWSKDSA-N 0 1 298.386 2.857 20 30 CFEDMN N#Cc1ccc([C@@H]2CN(CC3CC=CC3)CCO2)cc1 ZINC000933633605 649708748 /nfs/dbraw/zinc/70/87/48/649708748.db2.gz XYFBSQXDPPHILE-KRWDZBQOSA-N 0 1 268.360 2.898 20 30 CFEDMN CCN1CC[C@@H]1CNC(=O)Nc1ccc(C#N)cc1C1CC1 ZINC000933855944 649725369 /nfs/dbraw/zinc/72/53/69/649725369.db2.gz ABOCZGNOZYXESH-CQSZACIVSA-N 0 1 298.390 2.651 20 30 CFEDMN CCN1CC[C@H]1CNC(=O)Nc1ccc(C#N)cc1C1CC1 ZINC000933855941 649725469 /nfs/dbraw/zinc/72/54/69/649725469.db2.gz ABOCZGNOZYXESH-AWEZNQCLSA-N 0 1 298.390 2.651 20 30 CFEDMN C=C[C@H](C)ONC(=O)Nc1ccnc(N2CCCCC2)c1 ZINC000934085591 649746187 /nfs/dbraw/zinc/74/61/87/649746187.db2.gz VKQGWBMJKVQSCI-LBPRGKRZSA-N 0 1 290.367 2.700 20 30 CFEDMN C=C(C)CN(CC)C(=O)[C@H](C)N[C@@H](C)c1cncs1 ZINC000934202202 649759964 /nfs/dbraw/zinc/75/99/64/649759964.db2.gz PPPLEZOMRQMPHB-RYUDHWBXSA-N 0 1 281.425 2.607 20 30 CFEDMN C=CC[C@@H]1CCN1[C@H](C)C(=O)N[C@H](C)c1ccccc1 ZINC000934458604 649788284 /nfs/dbraw/zinc/78/82/84/649788284.db2.gz ALCAHLCRZIERBP-IIAWOOMASA-N 0 1 272.392 2.903 20 30 CFEDMN C=CC[C@@H]1CCN1[C@H](C)C(=O)NC1CCC(C)CC1 ZINC000934472208 649791034 /nfs/dbraw/zinc/79/10/34/649791034.db2.gz ZZURHNOTKVRBBW-HXSCFSKGSA-N 0 1 264.413 2.720 20 30 CFEDMN C=CC[C@@H]1CCN1[C@@H](C)C(=O)Nc1ccccc1C ZINC000934472042 649791248 /nfs/dbraw/zinc/79/12/48/649791248.db2.gz LHRXSJIMOIDXAE-UONOGXRCSA-N 0 1 258.365 2.972 20 30 CFEDMN N#Cc1cncc(CN[C@@H](c2ccncc2)C2CC2)c1 ZINC000934697839 649816739 /nfs/dbraw/zinc/81/67/39/649816739.db2.gz LXBCTRUOFHWBJY-MRXNPFEDSA-N 0 1 264.332 2.589 20 30 CFEDMN C=CCN1CCC[C@H](NC(=O)Cc2c(C)cccc2C)C1 ZINC001007434747 651134838 /nfs/dbraw/zinc/13/48/38/651134838.db2.gz VYATXVYKBWPGCB-INIZCTEOSA-N 0 1 286.419 2.613 20 30 CFEDMN C=CCN1CCC[C@H](NC(=O)c2ccc(Cl)cc2F)C1 ZINC001007867322 651139918 /nfs/dbraw/zinc/13/99/18/651139918.db2.gz UAQRQXYOQIYOHV-LBPRGKRZSA-N 0 1 296.773 2.859 20 30 CFEDMN C=CCN1CCC[C@@H](NC(=O)[C@H]2CCCCC2(F)F)C1 ZINC001008066997 651142224 /nfs/dbraw/zinc/14/22/24/651142224.db2.gz RNOWCFCQRMOXOE-CHWSQXEVSA-N 0 1 286.366 2.579 20 30 CFEDMN C=C(C)CN1CCC[C@@H](NC(=O)C2(C)CCCC2)C1 ZINC001008104745 651142671 /nfs/dbraw/zinc/14/26/71/651142671.db2.gz UVAPYXMYEOWKHZ-CQSZACIVSA-N 0 1 264.413 2.723 20 30 CFEDMN C=CCN1CCC[C@H](NC(=O)[C@@H]2CCCC2(C)C)C1 ZINC001008225069 651144389 /nfs/dbraw/zinc/14/43/89/651144389.db2.gz MHGTXIKPZUPPLC-KBPBESRZSA-N 0 1 264.413 2.579 20 30 CFEDMN C=C(C)CN1CCC[C@H](NC(=O)C(C)(C)C2CC2)C1 ZINC001008247108 651145088 /nfs/dbraw/zinc/14/50/88/651145088.db2.gz ATQYBHADAROFMH-AWEZNQCLSA-N 0 1 264.413 2.579 20 30 CFEDMN C=CCN1CCC[C@H](NC(=O)C[C@@H]2CCCC2(F)F)C1 ZINC001008308035 651146592 /nfs/dbraw/zinc/14/65/92/651146592.db2.gz ARKQCRLZSOZXLZ-STQMWFEESA-N 0 1 286.366 2.579 20 30 CFEDMN C=CCN1CCC[C@@H](NC(=O)c2cc(C)cc(F)c2)C1 ZINC001008625729 651151472 /nfs/dbraw/zinc/15/14/72/651151472.db2.gz BDNMVIFYQFYQKQ-OAHLLOKOSA-N 0 1 276.355 2.514 20 30 CFEDMN C=CCN1CCC[C@@H](NC(=O)[C@H]2CC[C@H](CC)CC2)C1 ZINC001009279990 651157915 /nfs/dbraw/zinc/15/79/15/651157915.db2.gz DCILWDIUMWZTOA-BZUAXINKSA-N 0 1 278.440 2.969 20 30 CFEDMN C=CCN1CCC[C@@H](NC(=O)C2CCC(C)(C)CC2)C1 ZINC001009654099 651163682 /nfs/dbraw/zinc/16/36/82/651163682.db2.gz AWEGHDYOQCGKBF-OAHLLOKOSA-N 0 1 278.440 2.969 20 30 CFEDMN C=CCN1CCC[C@H](NC(=O)c2c(C)cccc2F)C1 ZINC001009720832 651164545 /nfs/dbraw/zinc/16/45/45/651164545.db2.gz QZXCIGKRTMOYEI-ZDUSSCGKSA-N 0 1 276.355 2.514 20 30 CFEDMN C=CCN1CC[C@@H](NC(=O)[C@@H]2C[C@H]2c2sccc2C)C1 ZINC001014415961 651185851 /nfs/dbraw/zinc/18/58/51/651185851.db2.gz XQHGKETWCVLNST-MGPQQGTHSA-N 0 1 290.432 2.537 20 30 CFEDMN C=CCN1CC[C@@H](NC(=O)c2coc3ccc(CC)cc23)C1 ZINC001014464379 651186297 /nfs/dbraw/zinc/18/62/97/651186297.db2.gz HOZJUQCOUYIURW-CQSZACIVSA-N 0 1 298.386 2.985 20 30 CFEDMN C#CCCN1CC[C@H](NC(=O)c2scc(C)c2Cl)C1 ZINC001014540350 651188514 /nfs/dbraw/zinc/18/85/14/651188514.db2.gz BANUAMRJNBREDM-NSHDSACASA-N 0 1 296.823 2.537 20 30 CFEDMN C=CCN1CC[C@H](NC(=O)C2(C)CCCCCC2)C1 ZINC001014751987 651191589 /nfs/dbraw/zinc/19/15/89/651191589.db2.gz KHRYRBBEVJGXDY-AWEZNQCLSA-N 0 1 264.413 2.723 20 30 CFEDMN C=C(C)CN1CC[C@@H](NC(=O)c2cc(F)ccc2CC)C1 ZINC001015093693 651195531 /nfs/dbraw/zinc/19/55/31/651195531.db2.gz JYZZCVWOSIFKFU-OAHLLOKOSA-N 0 1 290.382 2.768 20 30 CFEDMN C=C(C)CN1CC[C@H](NC(=O)c2ccc(C)c(F)c2)C1 ZINC001015168623 651196390 /nfs/dbraw/zinc/19/63/90/651196390.db2.gz ZUKDCNJVZPCVHE-AWEZNQCLSA-N 0 1 276.355 2.514 20 30 CFEDMN C=CCN1CC[C@@H](NC(=O)c2cn(CC)c3ccccc23)C1 ZINC001015174821 651196811 /nfs/dbraw/zinc/19/68/11/651196811.db2.gz CWICKBWHWQUPFO-CQSZACIVSA-N 0 1 297.402 2.651 20 30 CFEDMN C=C(C)CN1CC[C@@H](NC(=O)c2cc(Cl)ccc2F)C1 ZINC001015181759 651197208 /nfs/dbraw/zinc/19/72/08/651197208.db2.gz YWKXBDMTJYGHSN-GFCCVEGCSA-N 0 1 296.773 2.859 20 30 CFEDMN C=C(C)CN1CC[C@H](NC(=O)c2cc(F)ccc2C)C1 ZINC001015440077 651201341 /nfs/dbraw/zinc/20/13/41/651201341.db2.gz GBEAFLAFYGSKCM-AWEZNQCLSA-N 0 1 276.355 2.514 20 30 CFEDMN CC#CCN1CC[C@H](NC(=O)[C@H](C)c2ccc(CC)cc2)C1 ZINC001015859416 651216445 /nfs/dbraw/zinc/21/64/45/651216445.db2.gz DDSHRGKOPSTSAS-QAPCUYQASA-N 0 1 298.430 2.566 20 30 CFEDMN C=CCN1CC[C@H](NC(=O)c2cccc(-c3ccoc3)c2)C1 ZINC001015961047 651218601 /nfs/dbraw/zinc/21/86/01/651218601.db2.gz CDVOBGXZWXMKBG-KRWDZBQOSA-N 0 1 296.370 2.937 20 30 CFEDMN CC#CCN1CC[C@H](NC(=O)C[C@H]2CCCC(C)(C)C2)C1 ZINC001015995388 651220276 /nfs/dbraw/zinc/22/02/76/651220276.db2.gz TYVBFHGQYQNRCO-CVEARBPZSA-N 0 1 290.451 2.807 20 30 CFEDMN C=C(C)CN1CC[C@@H](NC(=O)c2occ3c2CCCC3)C1 ZINC001016099783 651224231 /nfs/dbraw/zinc/22/42/31/651224231.db2.gz DVDXOEXHLBRHCG-CQSZACIVSA-N 0 1 288.391 2.539 20 30 CFEDMN C=C(C)CN1CC[C@H](NC(=O)C23CCC(CC2)CC3)C1 ZINC001016303737 651229326 /nfs/dbraw/zinc/22/93/26/651229326.db2.gz BVNGDEMUNJVWSE-CKDBGZEDSA-N 0 1 276.424 2.723 20 30 CFEDMN C=C(Cl)CN1CCC2(C[C@H]2NC(=O)CC2CC2)CC1 ZINC001016464684 651234607 /nfs/dbraw/zinc/23/46/07/651234607.db2.gz PEENWNJZZOJKSE-CYBMUJFWSA-N 0 1 282.815 2.510 20 30 CFEDMN C=C(Cl)CN1CCC2(C[C@@H]2NC(=O)[C@H](C)C2CC2)CC1 ZINC001016561670 651237279 /nfs/dbraw/zinc/23/72/79/651237279.db2.gz BTJVTNOLNHJJLO-OCCSQVGLSA-N 0 1 296.842 2.756 20 30 CFEDMN C=C(Cl)CN1CCC2(C[C@@H]2NC(=O)C(C)(C)C)CC1 ZINC001016941322 651243003 /nfs/dbraw/zinc/24/30/03/651243003.db2.gz WXHOAISLBNLVBH-LBPRGKRZSA-N 0 1 284.831 2.756 20 30 CFEDMN C=C(C)CN1C[C@H]2CC[C@@H](C1)N2C(=O)C[C@@H]1C=CCCC1 ZINC001017653401 651255106 /nfs/dbraw/zinc/25/51/06/651255106.db2.gz RDKKUFCIBNKDDQ-ZACQAIPSSA-N 0 1 288.435 2.984 20 30 CFEDMN C#CCCN1C[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1CCC[C@H](C)C1 ZINC001017862635 651260172 /nfs/dbraw/zinc/26/01/72/651260172.db2.gz GFKMVLSOSWXTMJ-LUKYLMHMSA-N 0 1 288.435 2.511 20 30 CFEDMN C=CCCN1C[C@H]2CC[C@@H](C1)N2C(=O)C1(C(C)C)CC1 ZINC001017922918 651261936 /nfs/dbraw/zinc/26/19/36/651261936.db2.gz SAXAEVUKQNAJKH-GASCZTMLSA-N 0 1 276.424 2.674 20 30 CFEDMN C=CCCN1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@]12C[C@@H]1CCCC2 ZINC001017923557 651262107 /nfs/dbraw/zinc/26/21/07/651262107.db2.gz RKRIIYRDZDDWAN-CUSZFKRNSA-N 0 1 288.435 2.818 20 30 CFEDMN C=C(Cl)CN[C@H]1CCN(C(=O)c2ccc(C)s2)C1 ZINC001018431893 651271584 /nfs/dbraw/zinc/27/15/84/651271584.db2.gz GUUBYRSIGXTLPP-NSHDSACASA-N 0 1 284.812 2.613 20 30 CFEDMN C=C(Cl)CN[C@H]1CCN(C(=O)c2cscc2C)C1 ZINC001018679363 651274770 /nfs/dbraw/zinc/27/47/70/651274770.db2.gz LASVTSRMKGVTEY-NSHDSACASA-N 0 1 284.812 2.613 20 30 CFEDMN C=C(Cl)CN[C@H]1CCN(C(=O)[C@H](C)C(C)(C)C)C1 ZINC001019042711 651278581 /nfs/dbraw/zinc/27/85/81/651278581.db2.gz QXGFFGSHUAXMNR-RYUDHWBXSA-N 0 1 272.820 2.612 20 30 CFEDMN C=C(Cl)CN[C@H]1CCN(C(=O)C[C@@H]2CC=CCC2)C1 ZINC001019243969 651281227 /nfs/dbraw/zinc/28/12/27/651281227.db2.gz NOULRYQXPJHMFT-KGLIPLIRSA-N 0 1 282.815 2.676 20 30 CFEDMN C=C(Cl)CN[C@H]1CCN(C(=O)[C@@H]2CCCC2(C)C)C1 ZINC001019255776 651282290 /nfs/dbraw/zinc/28/22/90/651282290.db2.gz KVQVQMQLWRQRCP-STQMWFEESA-N 0 1 284.831 2.756 20 30 CFEDMN C=C(Cl)CN[C@H]1CCN(C(=O)C2CCC(=C)CC2)C1 ZINC001019331381 651283315 /nfs/dbraw/zinc/28/33/15/651283315.db2.gz WPJDRTGLWRTHJQ-AWEZNQCLSA-N 0 1 282.815 2.676 20 30 CFEDMN C=C(Cl)CN[C@H]1CCN(C(=O)c2ccoc2C(C)C)C1 ZINC001019848490 651292937 /nfs/dbraw/zinc/29/29/37/651292937.db2.gz KJTBBKAKJLMQCJ-LBPRGKRZSA-N 0 1 296.798 2.960 20 30 CFEDMN C=CCC[N@@H+]1CC[C@@H]1CN(C)C(=O)[C@H]1C[C@@H]1c1ccccc1 ZINC001085859457 782190130 /nfs/dbraw/zinc/19/01/30/782190130.db2.gz ATPVJUUHUHRMOA-KURKYZTESA-N 0 1 298.430 2.899 20 30 CFEDMN C#CCCN1CC[C@H]1CN(C)C(=O)c1ccc(Cl)cc1 ZINC001085940138 782210456 /nfs/dbraw/zinc/21/04/56/782210456.db2.gz ZQCAJPDAFAAIGV-HNNXBMFYSA-N 0 1 290.794 2.510 20 30 CFEDMN C#CCCN1CC[C@H]1CN(C)C(=O)C1CC(C(C)(C)C)C1 ZINC001085996548 782231609 /nfs/dbraw/zinc/23/16/09/782231609.db2.gz QMEUUJRMHVKVOA-GPANFISMSA-N 0 1 290.451 2.615 20 30 CFEDMN C=CCC(C)(C)C(=O)NC[C@@]1(C)CN(CCCC)CCO1 ZINC001108246153 782276880 /nfs/dbraw/zinc/27/68/80/782276880.db2.gz DXLJVJYVCMUIST-KRWDZBQOSA-N 0 1 296.455 2.596 20 30 CFEDMN CC#CCN1CC([C@H](C)NC(=O)[C@@H](CC)CCCC)C1 ZINC001282690508 770091181 /nfs/dbraw/zinc/09/11/81/770091181.db2.gz UBYQRARAOODYMR-GJZGRUSLSA-N 0 1 278.440 2.663 20 30 CFEDMN C=CC[N@H+](CC(=O)[O-])Cc1cc(F)cc(Cl)c1 ZINC000161398747 778631342 /nfs/dbraw/zinc/63/13/42/778631342.db2.gz LCLRSJMVPMCFGT-UHFFFAOYSA-N 0 1 257.692 2.552 20 30 CFEDMN C=CCN1CC(CNC(=O)c2ccc(C(F)F)c(F)c2)C1 ZINC001031972121 779691126 /nfs/dbraw/zinc/69/11/26/779691126.db2.gz UVZZCFNXXUIPLX-UHFFFAOYSA-N 0 1 298.308 2.611 20 30 CFEDMN C=C(Cl)CNCCNC(=O)CCCC(C)(C)C ZINC001124778298 779719129 /nfs/dbraw/zinc/71/91/29/779719129.db2.gz NJQHFJHMNANTBN-UHFFFAOYSA-N 0 1 260.809 2.661 20 30 CFEDMN C=CCN1CC[C@H](N(C)C(=O)c2c(F)cc(C)cc2F)C1 ZINC001033255741 780633688 /nfs/dbraw/zinc/63/36/88/780633688.db2.gz YFPLROQOZLKSMX-LBPRGKRZSA-N 0 1 294.345 2.606 20 30 CFEDMN CCCCCCCCCC(=O)C(C#N)C(=O)NC ZINC000133379100 780634555 /nfs/dbraw/zinc/63/45/55/780634555.db2.gz WUZGDYDAIYRPIB-LBPRGKRZSA-N 0 1 252.358 2.582 20 30 CFEDMN C=CCN1CC[C@@H](N(C)C(=O)[C@@H]2CCC(C)(C)C2)C1 ZINC001033393484 780670458 /nfs/dbraw/zinc/67/04/58/780670458.db2.gz JIXQUGBRDPESBA-ZIAGYGMSSA-N 0 1 264.413 2.531 20 30 CFEDMN C=CCN1CC[C@@H](N(C)C(=O)c2cccc3cnccc32)C1 ZINC001033654657 780741682 /nfs/dbraw/zinc/74/16/82/780741682.db2.gz CJVUJOVVRNNLQZ-OAHLLOKOSA-N 0 1 295.386 2.567 20 30 CFEDMN C=CCN1CC[C@H](N(CC)C(=O)c2ccc(F)c(C)c2)C1 ZINC001033936226 780833859 /nfs/dbraw/zinc/83/38/59/780833859.db2.gz NNOZYLVPMBQLPO-HNNXBMFYSA-N 0 1 290.382 2.857 20 30 CFEDMN C=CCN1CC[C@@H](N(CC)C(=O)c2cc(C)c(CC)o2)C1 ZINC001034012935 780855582 /nfs/dbraw/zinc/85/55/82/780855582.db2.gz XHTQGHKYPGZFPL-CQSZACIVSA-N 0 1 290.407 2.873 20 30 CFEDMN C=C(Cl)CN[C@H]1CCCN(C(=O)CCC(C)(F)F)C1 ZINC001208436168 769907451 /nfs/dbraw/zinc/90/74/51/769907451.db2.gz YHINSOHLZLBOMK-NSHDSACASA-N 0 1 294.773 2.755 20 30 CFEDMN C=C1CC(C)(C(=O)NC[C@H](C)N(C)CCC(F)(F)F)C1 ZINC001282456247 769976311 /nfs/dbraw/zinc/97/63/11/769976311.db2.gz YFDOTKHUDPHBHE-NSHDSACASA-N 0 1 292.345 2.732 20 30 CFEDMN C#CCCCCCC(=O)N[C@@H]1CCN(C[C@H](F)CC)C1 ZINC001266336690 769978785 /nfs/dbraw/zinc/97/87/85/769978785.db2.gz UKYXWOLVQBPFTE-HUUCEWRRSA-N 0 1 282.403 2.509 20 30 CFEDMN C=CCCCN1CCN(C(=O)OC(C)(C)C)[C@@H](COC)C1 ZINC001209157480 770007900 /nfs/dbraw/zinc/00/79/00/770007900.db2.gz WMUUBGWJPGTHHZ-CQSZACIVSA-N 0 1 298.427 2.520 20 30 CFEDMN C=CCCCC[N@H+]1CCC[C@H]1C(=O)[N-]C(=O)OC(C)(C)C ZINC001209206871 770012926 /nfs/dbraw/zinc/01/29/26/770012926.db2.gz CGMGGQNOPALANQ-ZDUSSCGKSA-N 0 1 296.411 2.858 20 30 CFEDMN C=CCCCC[N@@H+]1CCC[C@H]1C(=O)[N-]C(=O)OC(C)(C)C ZINC001209206871 770012936 /nfs/dbraw/zinc/01/29/36/770012936.db2.gz CGMGGQNOPALANQ-ZDUSSCGKSA-N 0 1 296.411 2.858 20 30 CFEDMN CC#CCN1CC[C@H](NC(=O)[C@@H](CCC)c2ccccc2)C1 ZINC001266355759 770013925 /nfs/dbraw/zinc/01/39/25/770013925.db2.gz NONOUFCTZJUHQI-ROUUACIJSA-N 0 1 298.430 2.784 20 30 CFEDMN C#CCN1CCC(N(CCC)C(=O)C/C=C(\C)C=C)CC1 ZINC001266389006 770062076 /nfs/dbraw/zinc/06/20/76/770062076.db2.gz ZAYOPQMZECYUAN-LZYBPNLTSA-N 0 1 288.435 2.845 20 30 CFEDMN C=CCCCCCCN1CCOC[C@@](O)(C(F)(F)F)C1 ZINC001209430940 770083685 /nfs/dbraw/zinc/08/36/85/770083685.db2.gz FEPQZEZRABWPQP-CYBMUJFWSA-N 0 1 295.345 2.749 20 30 CFEDMN C=CCCCCCCCN1CCN(c2ncncn2)CC1 ZINC001209442240 770093905 /nfs/dbraw/zinc/09/39/05/770093905.db2.gz OVFUUZFPGZFWTC-UHFFFAOYSA-N 0 1 289.427 2.520 20 30 CFEDMN C=CCCCCCCCCN1CCN(C)[C@H](C(=O)OC)C1 ZINC001209446341 770096270 /nfs/dbraw/zinc/09/62/70/770096270.db2.gz XESZKUFFBCWWAK-INIZCTEOSA-N 0 1 296.455 2.692 20 30 CFEDMN C#CCN1CCC[C@H]1CNC(=O)CCCCC(C)(C)C ZINC001266464465 770185312 /nfs/dbraw/zinc/18/53/12/770185312.db2.gz AXTSMMLGZOXZMH-HNNXBMFYSA-N 0 1 278.440 2.807 20 30 CFEDMN C=CCCCC(=O)NC[C@@H]1CCCN1C/C=C/Cl ZINC001266480310 770197858 /nfs/dbraw/zinc/19/78/58/770197858.db2.gz OBJVZUUBGDDDOU-PPGNKHEKSA-N 0 1 270.804 2.676 20 30 CFEDMN CC(C)(C)CC(=O)N1CC[C@H](NCC#Cc2ccccc2)C1 ZINC001266507179 770232614 /nfs/dbraw/zinc/23/26/14/770232614.db2.gz LEQFLWIFFGXCLL-KRWDZBQOSA-N 0 1 298.430 2.665 20 30 CFEDMN CCOC(=O)c1nonc1Nc1cc(Cl)cc(C#N)c1 ZINC001210536599 770306394 /nfs/dbraw/zinc/30/63/94/770306394.db2.gz SPAVWIHPNLJYMT-UHFFFAOYSA-N 0 1 292.682 2.515 20 30 CFEDMN CC(C)=CC(=O)NCCN(Cc1ccc(C#N)cc1)C1CC1 ZINC001266581642 770377991 /nfs/dbraw/zinc/37/79/91/770377991.db2.gz JGGDWPFJZAVZJN-UHFFFAOYSA-N 0 1 297.402 2.605 20 30 CFEDMN C=CCCC[C@H](C)Nc1nc(Cl)nc2[nH]cnc21 ZINC000398124221 770456818 /nfs/dbraw/zinc/45/68/18/770456818.db2.gz HXICTZMJNSMOBF-QMMMGPOBSA-N 0 1 265.748 2.585 20 30 CFEDMN C=CCN(CC=C)Cc1ncc(Br)cc1O ZINC000891448883 770621569 /nfs/dbraw/zinc/62/15/69/770621569.db2.gz FYVKZCDZWSKQHH-UHFFFAOYSA-N 0 1 283.169 2.724 20 30 CFEDMN C=CC(C)(C)CC(=O)N[C@H](C)[C@@H]1CCCN(CCF)C1 ZINC001266889400 770716214 /nfs/dbraw/zinc/71/62/14/770716214.db2.gz DGUWDVQRJCMSDQ-ZIAGYGMSSA-N 0 1 284.419 2.775 20 30 CFEDMN C=CCC(C)(C)C(=O)NCC[C@@H](C)NCc1nccs1 ZINC001267145783 770940035 /nfs/dbraw/zinc/94/00/35/770940035.db2.gz IPNWHIMATNWHJJ-GFCCVEGCSA-N 0 1 295.452 2.730 20 30 CFEDMN CC#CCN1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H](C)CCCCCC ZINC001114991467 770971837 /nfs/dbraw/zinc/97/18/37/770971837.db2.gz DCFUIZRPYJNJSJ-MWDXBVQZSA-N 0 1 290.451 2.663 20 30 CFEDMN C=CCCC(=O)NCCN(C)Cc1ccc(F)c(Cl)c1 ZINC001267188461 773193962 /nfs/dbraw/zinc/19/39/62/773193962.db2.gz PEHOUYPJWDEYJQ-UHFFFAOYSA-N 0 1 298.789 2.993 20 30 CFEDMN N#Cc1ccccc1CNc1cc(O[C@H]2CCOC2)ccn1 ZINC001167637162 773205097 /nfs/dbraw/zinc/20/50/97/773205097.db2.gz JZRNSYQJXBIZAK-INIZCTEOSA-N 0 1 295.342 2.733 20 30 CFEDMN CC#CCCCC(=O)NCC1CCN(C/C=C\Cl)CC1 ZINC001224150235 775113114 /nfs/dbraw/zinc/11/31/14/775113114.db2.gz ZULCFPPTILPJJE-POHAHGRESA-N 0 1 296.842 2.761 20 30 CFEDMN C=C1O[C@@H](C)C(=O)C1OCc1cc(C)ccc1C(=O)OC ZINC001224200433 775126874 /nfs/dbraw/zinc/12/68/74/775126874.db2.gz QFEITLBQWRPXDD-JTQLQIEISA-N 0 1 290.315 2.518 20 30 CFEDMN C=C(C)CN1CC[C@H]1CNC(=O)[C@H](CC)CC(F)(F)F ZINC001276954770 775134091 /nfs/dbraw/zinc/13/40/91/775134091.db2.gz CLGWZNGVZGHKQF-NEPJUHHUSA-N 0 1 292.345 2.732 20 30 CFEDMN N#Cc1ccc(N2C[C@H]3CC[C@@H](C2)N3Cc2ccc[nH]2)cc1 ZINC001276960293 775143965 /nfs/dbraw/zinc/14/39/65/775143965.db2.gz CQNSWWUSDWDXMJ-HDICACEKSA-N 0 1 292.386 2.740 20 30 CFEDMN N#CCCCCCCOC1CCN(CCF)CC1 ZINC001224368719 775168674 /nfs/dbraw/zinc/16/86/74/775168674.db2.gz FABPGPBLWRNZOQ-UHFFFAOYSA-N 0 1 256.365 2.911 20 30 CFEDMN C=C1O[C@H](C)C(=O)C1OCCCc1ccccc1OC ZINC001224411360 775177626 /nfs/dbraw/zinc/17/76/26/775177626.db2.gz CDTNIIUIVGMGDP-LLVKDONJSA-N 0 1 276.332 2.864 20 30 CFEDMN CC[C@@H]1OC(C)=C(OCCOc2cccc(OC)c2)C1=O ZINC001224415294 775179994 /nfs/dbraw/zinc/17/99/94/775179994.db2.gz CUVWKBCEIAIONX-AWEZNQCLSA-N 0 1 292.331 2.700 20 30 CFEDMN C#CCN(CCNC(=O)c1ccc(CCC)s1)C1CC1 ZINC001267325836 775206995 /nfs/dbraw/zinc/20/69/95/775206995.db2.gz IMGFOGLIBDQTGU-UHFFFAOYSA-N 0 1 290.432 2.528 20 30 CFEDMN C=CC[C@H](OCCN1CCN(C)CC1)c1ccccc1 ZINC001224548658 775216767 /nfs/dbraw/zinc/21/67/67/775216767.db2.gz FDLHJFPMYCTNNN-KRWDZBQOSA-N 0 1 274.408 2.568 20 30 CFEDMN C=C(C)[C@@H]1CC[C@H](C)C[C@@H]1OCCN1CCN(C)CC1 ZINC001224549832 775218042 /nfs/dbraw/zinc/21/80/42/775218042.db2.gz PVAYBEIYMPZGJG-ULQDDVLXSA-N 0 1 280.456 2.631 20 30 CFEDMN C#CCCN1CC[C@@H]1CNC(=O)C[C@H]1CCCCC1(C)C ZINC001276986761 775232284 /nfs/dbraw/zinc/23/22/84/775232284.db2.gz ZVOLYYHWWVVFIO-HZPDHXFCSA-N 0 1 290.451 2.807 20 30 CFEDMN C#CCN[C@H](CNC(=O)CC1CCCC1)c1ccccc1 ZINC001267346082 775233649 /nfs/dbraw/zinc/23/36/49/775233649.db2.gz KOLRJURUYAGJQG-QGZVFWFLSA-N 0 1 284.403 2.647 20 30 CFEDMN CC#CCN[C@H](CNC(=O)c1ccoc1C)c1ccccc1 ZINC001267350966 775240401 /nfs/dbraw/zinc/24/04/01/775240401.db2.gz MEWRAUCECVZNPM-QGZVFWFLSA-N 0 1 296.370 2.672 20 30 CFEDMN COc1ccccc1[C@H](C)NCc1cncc(C#N)c1 ZINC000721571094 775254744 /nfs/dbraw/zinc/25/47/44/775254744.db2.gz CBNVJGXBEYNYDE-LBPRGKRZSA-N 0 1 267.332 2.813 20 30 CFEDMN C=C(Cl)CNCCN(C)C(=O)[C@H]1CCC(C)=C(C)C1 ZINC001267375956 775279009 /nfs/dbraw/zinc/27/90/09/775279009.db2.gz BIINBHCIDKAMNA-AWEZNQCLSA-N 0 1 284.831 2.923 20 30 CFEDMN C=C(Cl)CNCCN(C)C(=O)[C@H]1C[C@@H]1C1CCCC1 ZINC001267448865 775331665 /nfs/dbraw/zinc/33/16/65/775331665.db2.gz PXCCCBFPULILCH-KGLIPLIRSA-N 0 1 284.831 2.613 20 30 CFEDMN CCCCCCC[C@@H](CC)OCC(=O)N1CCNCC1 ZINC001217890395 775353858 /nfs/dbraw/zinc/35/38/58/775353858.db2.gz HKLRAXQMHWHEMV-OAHLLOKOSA-N 0 1 284.444 2.574 20 30 CFEDMN C=CCN1CC[C@@H](N(CCC)C(=O)CC2(C)CC2)C1 ZINC001267473801 775371646 /nfs/dbraw/zinc/37/16/46/775371646.db2.gz FIYOJELRLBRGHO-CQSZACIVSA-N 0 1 264.413 2.676 20 30 CFEDMN CC#CCCCC(=O)N(CCC)[C@@H]1CCN(CC#CC)C1 ZINC001267474181 775372844 /nfs/dbraw/zinc/37/28/44/775372844.db2.gz HALSWSHHOBOHKZ-QGZVFWFLSA-N 0 1 288.435 2.516 20 30 CFEDMN C=C/C(C)=C\CC(=O)N(CCC)[C@@H]1CCN(CC#CC)C1 ZINC001267475677 775374174 /nfs/dbraw/zinc/37/41/74/775374174.db2.gz PFZHGKWKWRWZCY-VHEJECIDSA-N 0 1 288.435 2.845 20 30 CFEDMN C#CCN1CC[C@@H](N(CCC)C(=O)C[C@H]2CC=CCC2)C1 ZINC001267475698 775374234 /nfs/dbraw/zinc/37/42/34/775374234.db2.gz PXFUCEUUXKLTRL-DLBZAZTESA-N 0 1 288.435 2.679 20 30 CFEDMN COCC[C@H]1CCCCN1Cc1ccc(OC)cc1C#N ZINC001137703073 775412681 /nfs/dbraw/zinc/41/26/81/775412681.db2.gz CABVZZWCUNSFDM-MRXNPFEDSA-N 0 1 288.391 2.958 20 30 CFEDMN C=C(Cl)CN1CCC[C@@H]([C@H](C)NC(=O)C2CCC2)C1 ZINC001025316758 775597140 /nfs/dbraw/zinc/59/71/40/775597140.db2.gz LRXUVKGVFUTMDQ-GXTWGEPZSA-N 0 1 284.831 2.756 20 30 CFEDMN C=C(Cl)CN1CCC[C@@H]([C@@H](C)NC(=O)c2ccc[nH]2)C1 ZINC001025339050 775613992 /nfs/dbraw/zinc/61/39/92/775613992.db2.gz DCDXWGAEASTPGH-CHWSQXEVSA-N 0 1 295.814 2.598 20 30 CFEDMN C#C[C@H](CC(C)C)Oc1nc(C(F)(F)F)cc(=O)[nH]1 ZINC001225977746 775654688 /nfs/dbraw/zinc/65/46/88/775654688.db2.gz KEPVLDGVZIRRJD-MRVPVSSYSA-N 0 1 274.242 2.628 20 30 CFEDMN C=CCN1CCC[C@@H](NC(=O)[C@H](C)CCCC)C1 ZINC001267615017 775678320 /nfs/dbraw/zinc/67/83/20/775678320.db2.gz YWKRGAMCWWUADQ-ZIAGYGMSSA-N 0 1 252.402 2.579 20 30 CFEDMN C=CCN1CCC[C@H](NC(=O)CCCCC(C)C)C1 ZINC001267632270 775719862 /nfs/dbraw/zinc/71/98/62/775719862.db2.gz LPFFUWKVPRIKHM-HNNXBMFYSA-N 0 1 266.429 2.969 20 30 CFEDMN Cc1cc(=O)[nH]c(O[C@H](C)c2ccccc2C#N)n1 ZINC001226157551 775720515 /nfs/dbraw/zinc/72/05/15/775720515.db2.gz AZFSEOCGUBUNDV-SNVBAGLBSA-N 0 1 255.277 2.502 20 30 CFEDMN CCC(CC)CN1CC(NC(=O)CC#Cc2ccccc2)C1 ZINC001267669289 775765093 /nfs/dbraw/zinc/76/50/93/775765093.db2.gz GUOIHMYAMCANNQ-UHFFFAOYSA-N 0 1 298.430 2.665 20 30 CFEDMN C=CCCCC(=O)N1C[C@@H]2C[C@H]1CN2CC1CC(F)(F)C1 ZINC001267712176 775797936 /nfs/dbraw/zinc/79/79/36/775797936.db2.gz NGIVKRRTVWCEJL-KBPBESRZSA-N 0 1 298.377 2.673 20 30 CFEDMN CC#CCN1CC[C@@H](NC(=O)C[C@H](C)CCC=C(C)C)C1 ZINC001267749209 775875805 /nfs/dbraw/zinc/87/58/05/775875805.db2.gz ISZOHDSQINVDAQ-IAGOWNOFSA-N 0 1 290.451 2.973 20 30 CFEDMN C=C[C@H](CCC)Oc1ncnc2[nH]nc(Br)c21 ZINC001226667510 775911582 /nfs/dbraw/zinc/91/15/82/775911582.db2.gz ALOUHYAFVUKFQR-SSDOTTSWSA-N 0 1 297.156 2.849 20 30 CFEDMN C#CCN1CC[C@@H](N(C)C(=O)C/C=C/c2ccc(C)cc2)C1 ZINC001267778664 775921633 /nfs/dbraw/zinc/92/16/33/775921633.db2.gz FLPZYQKTSUPPFR-DUMMIQTOSA-N 0 1 296.414 2.564 20 30 CFEDMN CCC1=C(Oc2nc3ccc(F)cc3[nH]2)C(=O)[C@H](C)O1 ZINC001226702289 775927242 /nfs/dbraw/zinc/92/72/42/775927242.db2.gz YZPYDXIZIFEQLH-ZETCQYMHSA-N 0 1 276.267 2.690 20 30 CFEDMN C#C[C@@H](CCCCC)Oc1nc[nH]c(=O)c1Br ZINC001226718711 775936584 /nfs/dbraw/zinc/93/65/84/775936584.db2.gz BHMNATCMFVGFPD-VIFPVBQESA-N 0 1 299.168 2.906 20 30 CFEDMN C=C(Cl)CN[C@H](CC)CNC(=O)[C@]1(C)CC=CCC1 ZINC001267808053 775947392 /nfs/dbraw/zinc/94/73/92/775947392.db2.gz JTZBJZNCPWHZKW-UKRRQHHQSA-N 0 1 284.831 2.970 20 30 CFEDMN C#C[C@H](CCCCC)Oc1nc2[nH]cnc2c(=S)[nH]1 ZINC001226780512 775961551 /nfs/dbraw/zinc/96/15/51/775961551.db2.gz NDTVBZRWFWUPSN-SECBINFHSA-N 0 1 276.365 2.603 20 30 CFEDMN C=C(C)C[C@H](Oc1nc2[nH]cnc2c(=S)[nH]1)C(=C)C ZINC001226785724 775963893 /nfs/dbraw/zinc/96/38/93/775963893.db2.gz NYIZEHWEMLGRDN-VIFPVBQESA-N 0 1 276.365 2.931 20 30 CFEDMN C=C[C@H](CCCC)Oc1nc2[nH]cnc2c(=S)[nH]1 ZINC001226787192 775966010 /nfs/dbraw/zinc/96/60/10/775966010.db2.gz WFHGFBWJEWPUPN-MRVPVSSYSA-N 0 1 264.354 2.765 20 30 CFEDMN CC(=O)c1cc(C#N)ccc1OC1CCN(C2CC2)CC1 ZINC001226974789 776041499 /nfs/dbraw/zinc/04/14/99/776041499.db2.gz JXJDMIWOMRINRE-UHFFFAOYSA-N 0 1 284.359 2.766 20 30 CFEDMN CCN1CCC[C@H](Oc2ccc(C#N)cc2C(C)=O)C1 ZINC001226975045 776041570 /nfs/dbraw/zinc/04/15/70/776041570.db2.gz MMQUYKAXTKQQIN-AWEZNQCLSA-N 0 1 272.348 2.624 20 30 CFEDMN C#C[C@@H](CCCC)Oc1[nH]c(=O)nc2ccccc21 ZINC001226977761 776043427 /nfs/dbraw/zinc/04/34/27/776043427.db2.gz USJVHPCHYKLYKC-NSHDSACASA-N 0 1 256.305 2.906 20 30 CFEDMN N#CC[C@@H]1CCC[N@H+](Cc2ccc(C(=O)[O-])cc2)C1 ZINC000397840184 776057821 /nfs/dbraw/zinc/05/78/21/776057821.db2.gz PGCYCTVGPXJVFY-LBPRGKRZSA-N 0 1 258.321 2.510 20 30 CFEDMN CC#CC[C@@H](CC)Oc1nc(=O)[nH]c(C)c1Cl ZINC001227111833 776101133 /nfs/dbraw/zinc/10/11/33/776101133.db2.gz RFNZTUHAXYDAIN-SECBINFHSA-N 0 1 254.717 2.715 20 30 CFEDMN C=C(Cl)CNC[C@H]1CCCN1C(=O)[C@@]1(C)C=CCC1 ZINC001267960850 776122880 /nfs/dbraw/zinc/12/28/80/776122880.db2.gz OUXVEOIQXWYSCZ-HIFRSBDPSA-N 0 1 282.815 2.676 20 30 CFEDMN CCCCOC(=O)[C@@H](C)Oc1nc2ccc(C#N)cc2[nH]1 ZINC001227216921 776142174 /nfs/dbraw/zinc/14/21/74/776142174.db2.gz YBVVPAOEFKPHPY-SNVBAGLBSA-N 0 1 287.319 2.545 20 30 CFEDMN CO[C@H]1CCCC[C@@H]1Oc1nc2ccc(C#N)cc2[nH]1 ZINC001227219565 776142530 /nfs/dbraw/zinc/14/25/30/776142530.db2.gz MHSDPWOVVQSZFC-KBPBESRZSA-N 0 1 271.320 2.771 20 30 CFEDMN N#Cc1ccc(O)c(O[C@H]2CC[N@@H+](Cc3ccccc3)C2)c1 ZINC001227344814 776179993 /nfs/dbraw/zinc/17/99/93/776179993.db2.gz DLGLFQVHSXGQRZ-INIZCTEOSA-N 0 1 294.354 2.917 20 30 CFEDMN C#C[C@H](CCC)Oc1[nH]c(=O)nc2ccc(C)cc21 ZINC001227349423 776181384 /nfs/dbraw/zinc/18/13/84/776181384.db2.gz GXQVDGLLBVEWQH-LLVKDONJSA-N 0 1 256.305 2.825 20 30 CFEDMN N#Cc1ccccc1C[N@@H+]1CC[C@H](Oc2cccc(O)c2)C1 ZINC001227553230 776226836 /nfs/dbraw/zinc/22/68/36/776226836.db2.gz AUFAELTVUBXULS-SFHVURJKSA-N 0 1 294.354 2.917 20 30 CFEDMN N#Cc1ccccc1CN1CC[C@H](Oc2cccc(O)c2)C1 ZINC001227553230 776226840 /nfs/dbraw/zinc/22/68/40/776226840.db2.gz AUFAELTVUBXULS-SFHVURJKSA-N 0 1 294.354 2.917 20 30 CFEDMN C=CC[C@H](CCC)Oc1nc(=O)[nH]c2c1CO[C@@H]2C ZINC001227713830 776267224 /nfs/dbraw/zinc/26/72/24/776267224.db2.gz QUKHKKJXAGWMBD-NXEZZACHSA-N 0 1 264.325 2.897 20 30 CFEDMN C=CCC[C@@H](CC)Oc1nc(=O)[nH]c2c1CO[C@H]2C ZINC001227715853 776269174 /nfs/dbraw/zinc/26/91/74/776269174.db2.gz HRCGTYXKPFOXQB-VHSXEESVSA-N 0 1 264.325 2.897 20 30 CFEDMN C=C(C)C[C@@H](Oc1[nH]c(=O)nc2cc[nH]c21)C(=C)C ZINC001227807712 776297361 /nfs/dbraw/zinc/29/73/61/776297361.db2.gz BBAWDXRCZWBFCF-LLVKDONJSA-N 0 1 259.309 2.953 20 30 CFEDMN CC[C@@H](C#Cc1ccccc1)Oc1[nH]c(=O)nc2cc[nH]c21 ZINC001227809295 776297459 /nfs/dbraw/zinc/29/74/59/776297459.db2.gz OBRMORIOEITUSQ-ZDUSSCGKSA-N 0 1 293.326 2.873 20 30 CFEDMN Cc1nc(O[C@H]2CN3CCC2CC3)c(C#N)c(C)c1Cl ZINC001227828856 776302600 /nfs/dbraw/zinc/30/26/00/776302600.db2.gz YIZBUULYDSILNS-ZDUSSCGKSA-N 0 1 291.782 2.697 20 30 CFEDMN C=CCN1CCC[C@@H]1CNC(=O)c1cccc(C)c1F ZINC001027893875 776496361 /nfs/dbraw/zinc/49/63/61/776496361.db2.gz DPIZUULBEKBMJK-CYBMUJFWSA-N 0 1 276.355 2.514 20 30 CFEDMN N#C[C@@H](Oc1[nH]c(=O)ncc1Cl)c1cccc(F)c1 ZINC001228483760 776505208 /nfs/dbraw/zinc/50/52/08/776505208.db2.gz XJJRZPVDQPKOMW-SNVBAGLBSA-N 0 1 279.658 2.618 20 30 CFEDMN C#C[C@H](CCCCC)Oc1nc(Cl)nc2nc[nH]c21 ZINC001228507593 776508545 /nfs/dbraw/zinc/50/85/45/776508545.db2.gz UCVKSHBYBIJQKL-SECBINFHSA-N 0 1 278.743 2.967 20 30 CFEDMN C=C(Cl)CNC[C@@H](C)N(C)C(=O)[C@]1(C)C=CCC1 ZINC001268079086 776543606 /nfs/dbraw/zinc/54/36/06/776543606.db2.gz OTYOKHQQQUPLFX-TZMCWYRMSA-N 0 1 270.804 2.532 20 30 CFEDMN C#CCCCCCC(=O)NC1CCN(C/C=C/Cl)CC1 ZINC001228637277 776547275 /nfs/dbraw/zinc/54/72/75/776547275.db2.gz PPCDTTMWNZNIDT-YRNVUSSQSA-N 0 1 296.842 2.903 20 30 CFEDMN C[C@H](CC(C)(C)S)Oc1ccc2[nH]nnc2c1 ZINC001228662891 776557103 /nfs/dbraw/zinc/55/71/03/776557103.db2.gz NLKMXRQAOCBYBC-MRVPVSSYSA-N 0 1 251.355 2.824 20 30 CFEDMN CC#CCN1CCC[C@@H]1CNC(=O)C1CCCCCCC1 ZINC001028017569 776557892 /nfs/dbraw/zinc/55/78/92/776557892.db2.gz VASRBEGPIBUBEG-QGZVFWFLSA-N 0 1 290.451 2.951 20 30 CFEDMN C=CCN1CCC[C@H]1CNC(=O)c1c(F)cc(C)cc1F ZINC001028018362 776558265 /nfs/dbraw/zinc/55/82/65/776558265.db2.gz ROZZXVUNGUEACZ-LBPRGKRZSA-N 0 1 294.345 2.653 20 30 CFEDMN N#Cc1cnc2cc(N[C@H]3CC[C@H](C#N)CC3)c[nH]c1-2 ZINC001167845468 776625016 /nfs/dbraw/zinc/62/50/16/776625016.db2.gz LHUVOBLODBATOD-UMSPYCQHSA-N 0 1 265.320 2.929 20 30 CFEDMN C#C[C@@H](CC)Oc1nc(C(F)(F)F)cc(O)c1[N+](=O)[O-] ZINC001228859638 776636505 /nfs/dbraw/zinc/63/65/05/776636505.db2.gz MKBRTKRZPCMLLR-LURJTMIESA-N 0 1 290.197 2.505 20 30 CFEDMN C=CCN1CCC[C@H]1CNC(=O)c1c(F)ccc(C)c1F ZINC001028115832 776636794 /nfs/dbraw/zinc/63/67/94/776636794.db2.gz VRUDPUZMFPHULP-LBPRGKRZSA-N 0 1 294.345 2.653 20 30 CFEDMN C=CC(C=C)Oc1nc(C(F)(F)F)cc(O)c1[N+](=O)[O-] ZINC001228860914 776638150 /nfs/dbraw/zinc/63/81/50/776638150.db2.gz XWWPQJFYXIXNPX-UHFFFAOYSA-N 0 1 290.197 2.834 20 30 CFEDMN CC#CCN1CCC[C@H]1CNC(=O)c1c(C)cccc1C ZINC001028157537 776669420 /nfs/dbraw/zinc/66/94/20/776669420.db2.gz LSUYKPSJDPOELN-INIZCTEOSA-N 0 1 284.403 2.521 20 30 CFEDMN C=CCN1CCC[C@H]1CNC(=O)c1cc(C)ccc1F ZINC001028164759 776674265 /nfs/dbraw/zinc/67/42/65/776674265.db2.gz MXEVHSJCXGBZGN-ZDUSSCGKSA-N 0 1 276.355 2.514 20 30 CFEDMN C=CCN1CCC[C@@H]1CNC(=O)c1ccsc1Cl ZINC001028180884 776683870 /nfs/dbraw/zinc/68/38/70/776683870.db2.gz IBBVYBSBCCQWMC-SNVBAGLBSA-N 0 1 284.812 2.782 20 30 CFEDMN C=CCC[C@@H](C)N1CC(NC(=O)c2cccnc2C2CC2)C1 ZINC001268331863 776749486 /nfs/dbraw/zinc/74/94/86/776749486.db2.gz JLKNIGBLERFBOH-CYBMUJFWSA-N 0 1 299.418 2.728 20 30 CFEDMN C=C[C@H](CC)CC(=O)NC1CN(CC2CCCC2)C1 ZINC001268438225 776806932 /nfs/dbraw/zinc/80/69/32/776806932.db2.gz PGGMBTQAVMYGHF-CYBMUJFWSA-N 0 1 264.413 2.579 20 30 CFEDMN C=C[C@@H](CC)CC(=O)NC1CN(CC(CC)CC)C1 ZINC001268437018 776807555 /nfs/dbraw/zinc/80/75/55/776807555.db2.gz GRBGPDIVLHUFBG-ZDUSSCGKSA-N 0 1 266.429 2.825 20 30 CFEDMN CC#CCN1CCC[C@@H]1CNC(=O)c1ccc(C)cc1C ZINC001028295659 776839646 /nfs/dbraw/zinc/83/96/46/776839646.db2.gz RWGYOIIHUSWGCW-MRXNPFEDSA-N 0 1 284.403 2.521 20 30 CFEDMN C=CCC[C@@H](C)N1CC(NC(=O)c2cc3ccccn3c2)C1 ZINC001268457070 776840465 /nfs/dbraw/zinc/84/04/65/776840465.db2.gz XYIBJOXQKOLTDC-CQSZACIVSA-N 0 1 297.402 2.708 20 30 CFEDMN N#Cc1cc(Nc2cc(F)c(CO)c(F)c2)c(O)cc1F ZINC001214039381 776845483 /nfs/dbraw/zinc/84/54/83/776845483.db2.gz TWQYNMCNPRSKEJ-UHFFFAOYSA-N 0 1 294.232 2.917 20 30 CFEDMN C=C(C)CN1CCC[C@H]1CNC(=O)c1ccc(F)s1 ZINC001028345714 776866603 /nfs/dbraw/zinc/86/66/03/776866603.db2.gz OANMODZCJRTACU-NSHDSACASA-N 0 1 282.384 2.658 20 30 CFEDMN C[C@H](CC(=O)N(C)Cc1ccccc1Cl)NCCC#N ZINC000425991174 776875278 /nfs/dbraw/zinc/87/52/78/776875278.db2.gz SJQWDAPVWGKVIE-GFCCVEGCSA-N 0 1 293.798 2.580 20 30 CFEDMN C/C(=N\[O-])c1ccccc1O[C@H]1CC[N@@H+](C(C)C)C1 ZINC001229736661 776883569 /nfs/dbraw/zinc/88/35/69/776883569.db2.gz GPDRKXKQKWRMII-HKJJFUAXSA-N 0 1 262.353 2.746 20 30 CFEDMN C/C(=N\[O-])c1ccccc1O[C@H]1CC[N@H+](C(C)C)C1 ZINC001229736661 776883575 /nfs/dbraw/zinc/88/35/75/776883575.db2.gz GPDRKXKQKWRMII-HKJJFUAXSA-N 0 1 262.353 2.746 20 30 CFEDMN CC[NH+](CC)C[C@H](C)Oc1ccccc1/C(C)=N/[O-] ZINC001229736632 776883738 /nfs/dbraw/zinc/88/37/38/776883738.db2.gz FODTUVNEKSUKIK-UJUPCEQOSA-N 0 1 264.369 2.994 20 30 CFEDMN CC#CCN1CCC(NC(=O)C(CC)(CC)CC)CC1 ZINC001229756848 776889451 /nfs/dbraw/zinc/88/94/51/776889451.db2.gz JKKYQKUHRCFBGY-UHFFFAOYSA-N 0 1 278.440 2.807 20 30 CFEDMN C[C@@H](c1ccccn1)N1CC[C@@H](Oc2cccc(C#N)n2)C1 ZINC001230043802 776949240 /nfs/dbraw/zinc/94/92/40/776949240.db2.gz SDBJMVQVALGOQU-DZGCQCFKSA-N 0 1 294.358 2.563 20 30 CFEDMN C=CCOCc1ncn2c1CN([C@H]1C[C@H]3C[C@H]3C1)CCC2 ZINC001167929475 776958607 /nfs/dbraw/zinc/95/86/07/776958607.db2.gz XQGZSIMRNQCEEE-FICVDOATSA-N 0 1 287.407 2.590 20 30 CFEDMN C=C(C)[C@@H]1CC[C@@H](C)C[C@H]1Oc1nc(C(=O)OC)c[n-]1 ZINC001230282031 776970676 /nfs/dbraw/zinc/97/06/76/776970676.db2.gz NXYQACHTQLWUKC-NTZNESFSSA-N 0 1 278.352 2.956 20 30 CFEDMN C=C(C)[C@@H]1CC[C@@H](C)C[C@H]1Oc1nc(C(=O)OC)c[nH]1 ZINC001230282031 776970679 /nfs/dbraw/zinc/97/06/79/776970679.db2.gz NXYQACHTQLWUKC-NTZNESFSSA-N 0 1 278.352 2.956 20 30 CFEDMN N#C[C@H]1CC[C@@H](Oc2cc3[nH]ncc3cc2[N+](=O)[O-])C1 ZINC001230595687 777021775 /nfs/dbraw/zinc/02/17/75/777021775.db2.gz MOYPUGVZMNMXJL-WCBMZHEXSA-N 0 1 272.264 2.542 20 30 CFEDMN C=C(C)CN1CC[C@H]1CN(C)C(=O)CC1CCCC1 ZINC001230654193 777037549 /nfs/dbraw/zinc/03/75/49/777037549.db2.gz LYPTVAMERCFLSY-HNNXBMFYSA-N 0 1 264.413 2.676 20 30 CFEDMN C=CCCCC(=O)N[C@H](C)CN(C)Cc1cnccc1C ZINC001268742932 777040087 /nfs/dbraw/zinc/04/00/87/777040087.db2.gz MSLJOCIUHVXYRB-OAHLLOKOSA-N 0 1 289.423 2.683 20 30 CFEDMN C=CCC1(C(=O)N[C@@H](C)C[N@H+](C)CC#CC)CCCCC1 ZINC001268756172 777045540 /nfs/dbraw/zinc/04/55/40/777045540.db2.gz HZRPWHGESOUGGR-INIZCTEOSA-N 0 1 290.451 2.973 20 30 CFEDMN C=CCC1(C(=O)N[C@@H](C)CN(C)CC#CC)CCCCC1 ZINC001268756172 777045544 /nfs/dbraw/zinc/04/55/44/777045544.db2.gz HZRPWHGESOUGGR-INIZCTEOSA-N 0 1 290.451 2.973 20 30 CFEDMN C#CCN(C)C[C@H](C)NC(=O)C1(CC=C)CCCCC1 ZINC001268756719 777047135 /nfs/dbraw/zinc/04/71/35/777047135.db2.gz MJTIBITYAORGSY-HNNXBMFYSA-N 0 1 276.424 2.583 20 30 CFEDMN C=CCCC(=O)N(C)CCCNCc1c(F)cccc1F ZINC001268784339 777054998 /nfs/dbraw/zinc/05/49/98/777054998.db2.gz YBDKSTGZAAUHPZ-UHFFFAOYSA-N 0 1 296.361 2.869 20 30 CFEDMN C#C[C@@H](C)Oc1nc2cc(Cl)nc(Cl)c2[nH]1 ZINC001231045239 777120615 /nfs/dbraw/zinc/12/06/15/777120615.db2.gz UGDNFQNKXWKSAS-RXMQYKEDSA-N 0 1 256.092 2.665 20 30 CFEDMN C#C[C@H](CCC)Oc1[nH]c(=O)nc2cc(F)ccc21 ZINC001230885867 777081919 /nfs/dbraw/zinc/08/19/19/777081919.db2.gz ZCYYVLQCQDKUSE-SNVBAGLBSA-N 0 1 260.268 2.655 20 30 CFEDMN CC#C[C@H](CC)Oc1[nH]c(=O)nc2cc(C)ccc21 ZINC001230889029 777083496 /nfs/dbraw/zinc/08/34/96/777083496.db2.gz RLSLTROBMVIXPP-NSHDSACASA-N 0 1 256.305 2.825 20 30 CFEDMN C=C[C@@H](CC(=O)N1C[C@@H]2C[C@H]1CN2CC)c1ccccc1 ZINC001268988674 777084765 /nfs/dbraw/zinc/08/47/65/777084765.db2.gz TYFKSAXZNLQCHZ-XIRDDKMYSA-N 0 1 284.403 2.651 20 30 CFEDMN C=C(C)C(=O)OC[C@@H](C)Oc1cc2[nH]ncc2c(F)c1 ZINC001230930855 777096631 /nfs/dbraw/zinc/09/66/31/777096631.db2.gz JIACNKRLUHAHQV-SECBINFHSA-N 0 1 278.283 2.589 20 30 CFEDMN C=CCN1CC[C@H](NC(=O)C[C@@H](C)c2ccccc2)C1 ZINC001269087892 777098364 /nfs/dbraw/zinc/09/83/64/777098364.db2.gz FHDZRRRSLSXBIE-ZBFHGGJFSA-N 0 1 272.392 2.557 20 30 CFEDMN C=CCN1CC[C@@H](NC(=O)C[C@H](C)C2CCCCC2)C1 ZINC001269177985 777130097 /nfs/dbraw/zinc/13/00/97/777130097.db2.gz WEAGZKXOCBEMCD-GOEBONIOSA-N 0 1 278.440 2.969 20 30 CFEDMN CC#C[C@H](CC)Oc1[nH]c(=O)nc2cccc(F)c21 ZINC001231072609 777132806 /nfs/dbraw/zinc/13/28/06/777132806.db2.gz CMRDYABYRBDZHK-VIFPVBQESA-N 0 1 260.268 2.655 20 30 CFEDMN C=CCCC(=O)N(C)C[C@H]1CCN1Cc1ccc(C)cc1 ZINC001231112577 777143725 /nfs/dbraw/zinc/14/37/25/777143725.db2.gz CSUXALKFDBZSNX-QGZVFWFLSA-N 0 1 286.419 2.994 20 30 CFEDMN C=C(C)CCC(=O)N(C)[C@H]1CCN(C[C@@H](F)CC)C1 ZINC001269246404 777150040 /nfs/dbraw/zinc/15/00/40/777150040.db2.gz XOPZBCNKMKWTQP-KBPBESRZSA-N 0 1 270.392 2.624 20 30 CFEDMN C=CCCCN1CC[C@@H]1CNC(=O)c1nc(Cl)cs1 ZINC001269278268 777157299 /nfs/dbraw/zinc/15/72/99/777157299.db2.gz FYAYZVAKFDLMDA-SNVBAGLBSA-N 0 1 299.827 2.567 20 30 CFEDMN C=CCCC(=O)N(CC)[C@@H]1CCN(C[C@H](F)CC)C1 ZINC001269311887 777166348 /nfs/dbraw/zinc/16/63/48/777166348.db2.gz ALFONRJDGCEMAF-ZIAGYGMSSA-N 0 1 270.392 2.624 20 30 CFEDMN C=CCN1CC[C@H]1CN(C)C(=O)CC1=CCCCC1 ZINC001231199363 777170042 /nfs/dbraw/zinc/17/00/42/777170042.db2.gz XHZNWHOQOKZJEY-HNNXBMFYSA-N 0 1 262.397 2.596 20 30 CFEDMN CC#CCN1CC[C@H](N(CC)C(=O)C[C@@H]2CC=CCC2)C1 ZINC001269339295 777173976 /nfs/dbraw/zinc/17/39/76/777173976.db2.gz LCXJDKSTXONPLE-SJORKVTESA-N 0 1 288.435 2.679 20 30 CFEDMN C#CCCN1CC[C@H]1CN(C)C(=O)CCCC(C)(C)C ZINC001231239481 777175487 /nfs/dbraw/zinc/17/54/87/777175487.db2.gz CVESURTYRSYLOJ-HNNXBMFYSA-N 0 1 278.440 2.759 20 30 CFEDMN Cc1cc(O)c([N+](=O)[O-])c(O[C@@H](C#N)c2ccccc2)n1 ZINC001231260661 777180342 /nfs/dbraw/zinc/18/03/42/777180342.db2.gz VHNHISSOGPAIJS-LBPRGKRZSA-N 0 1 285.259 2.648 20 30 CFEDMN C=C(Cl)CNC1(CNC(=O)C[C@@H]2CC=CCC2)CC1 ZINC001269469807 777194802 /nfs/dbraw/zinc/19/48/02/777194802.db2.gz YSIOWQIUUKKGEQ-CYBMUJFWSA-N 0 1 282.815 2.724 20 30 CFEDMN CC#C[C@@H](CC)Oc1[nH]c(=O)nc2c(OC)cccc21 ZINC001231347825 777198105 /nfs/dbraw/zinc/19/81/05/777198105.db2.gz SZQBQZSTKQXHRY-SNVBAGLBSA-N 0 1 272.304 2.525 20 30 CFEDMN C#CCN1CC[C@H]2CC[C@@H](C1)N2C(=O)[C@@](C)(CC)CCC ZINC001269601761 777219609 /nfs/dbraw/zinc/21/96/09/777219609.db2.gz NNEJTVUXJWLAGS-RYRKJORJSA-N 0 1 290.451 2.901 20 30 CFEDMN C=CCCCN1CC(N(C)C(=O)CC(C)(C)C=C)C1 ZINC001269799271 777250988 /nfs/dbraw/zinc/25/09/88/777250988.db2.gz AOYVPXFAOXTAPB-UHFFFAOYSA-N 0 1 264.413 2.698 20 30 CFEDMN C#CCN1CCC(C)(NC(=O)CCCCCC)CC1 ZINC001270261883 777342984 /nfs/dbraw/zinc/34/29/84/777342984.db2.gz XNWOJGZXPZVKDP-UHFFFAOYSA-N 0 1 264.413 2.561 20 30 CFEDMN C=CCCC(=O)N(C)C1CN(CCCC(C)C)C1 ZINC001277570794 777343218 /nfs/dbraw/zinc/34/32/18/777343218.db2.gz ONOAYOBMFRZGNY-UHFFFAOYSA-N 0 1 252.402 2.531 20 30 CFEDMN N#Cc1ccc2c(c1)CCN(Cc1ccc3c[nH]nc3c1)C2 ZINC001231905826 777376737 /nfs/dbraw/zinc/37/67/37/777376737.db2.gz RELRJMDFTGIIPD-UHFFFAOYSA-N 0 1 288.354 2.993 20 30 CFEDMN COc1cccc2[nH]cc(CN3CCC(C#N)CC3)c21 ZINC001232033885 777417593 /nfs/dbraw/zinc/41/75/93/777417593.db2.gz RFUSGDBPZNPRKJ-UHFFFAOYSA-N 0 1 269.348 2.912 20 30 CFEDMN C=C1O[C@@H](CC)C(=O)C1Oc1cc(F)cnc1Cl ZINC001226108627 777433929 /nfs/dbraw/zinc/43/39/29/777433929.db2.gz DGYAGHHZDJNLRB-QMMMGPOBSA-N 0 1 271.675 2.862 20 30 CFEDMN N#Cc1ccc(CN2CCC[C@@H](O)CC2)cc1Cl ZINC001232112171 777443929 /nfs/dbraw/zinc/44/39/29/777443929.db2.gz QDNUQCZIYZQMEI-CYBMUJFWSA-N 0 1 264.756 2.558 20 30 CFEDMN N#Cc1ccc(CN2CC[C@H](O)[C@@H](F)CC2)cc1Cl ZINC001232112214 777444472 /nfs/dbraw/zinc/44/44/72/777444472.db2.gz RORVUJFNTULNPI-KBPBESRZSA-N 0 1 282.746 2.506 20 30 CFEDMN CCOc1ncc(CN2CCC[C@H](C#N)CC2)cc1C ZINC001232305218 777512476 /nfs/dbraw/zinc/51/24/76/777512476.db2.gz COAGACDFNRZGQV-AWEZNQCLSA-N 0 1 273.380 2.914 20 30 CFEDMN C=CCCCN1CC(N(C)C(=O)c2ccc(F)c(C)c2)C1 ZINC001277652586 777535289 /nfs/dbraw/zinc/53/52/89/777535289.db2.gz XOZLVBWWRHMBTJ-UHFFFAOYSA-N 0 1 290.382 2.857 20 30 CFEDMN N#CCCN(Cc1n[nH]c2c1CCC2)Cc1ccccc1 ZINC001232428260 777555373 /nfs/dbraw/zinc/55/53/73/777555373.db2.gz KZMNDXIHGOPECO-UHFFFAOYSA-N 0 1 280.375 2.814 20 30 CFEDMN N#CCCN(Cc1n[nH]c2c1CCC2)C1CCCC1 ZINC001232426119 777555559 /nfs/dbraw/zinc/55/55/59/777555559.db2.gz HFAHOCVBEHETGO-UHFFFAOYSA-N 0 1 258.369 2.557 20 30 CFEDMN Cc1ncc(CN2CCC(C#N)(c3ccccc3)CC2)[nH]1 ZINC001232458566 777566797 /nfs/dbraw/zinc/56/67/97/777566797.db2.gz LKWDXQHOIYAZKZ-UHFFFAOYSA-N 0 1 280.375 2.776 20 30 CFEDMN CCN(Cc1cc(C#N)ccn1)Cc1ccccc1O ZINC001232480023 777575986 /nfs/dbraw/zinc/57/59/86/777575986.db2.gz FVNQRSJRLNMOHR-UHFFFAOYSA-N 0 1 267.332 2.681 20 30 CFEDMN CN(Cc1ccc(C#N)cc1)Cc1cc(F)ccc1N ZINC001232510479 777589664 /nfs/dbraw/zinc/58/96/64/777589664.db2.gz FBQFUKCINFBASL-UHFFFAOYSA-N 0 1 269.323 2.912 20 30 CFEDMN N#C[C@@H]1C[C@H]2CC[C@@H](C1)N2Cc1cccc(CF)n1 ZINC001232539252 777596330 /nfs/dbraw/zinc/59/63/30/777596330.db2.gz KUINHFRAINKWQS-UWEBFBLFSA-N 0 1 259.328 2.818 20 30 CFEDMN C=CCN(C)Cc1ccc(Br)c(C)n1 ZINC001232665314 777634370 /nfs/dbraw/zinc/63/43/70/777634370.db2.gz DHOSPVJPOHRNNS-UHFFFAOYSA-N 0 1 255.159 2.770 20 30 CFEDMN CO[C@@H]1CCC[C@@H]2C[N@@H+](Cc3cc(C#N)ccc3[O-])C[C@@H]21 ZINC001232675700 777638011 /nfs/dbraw/zinc/63/80/11/777638011.db2.gz DFBZSFQGAKCQGR-UKPHBRMFSA-N 0 1 286.375 2.511 20 30 CFEDMN C#CCN1CC[C@H](NC(=O)c2sc(C)cc2C)[C@H]1CC ZINC001087587236 777664507 /nfs/dbraw/zinc/66/45/07/777664507.db2.gz DMAJRZVPARZVCJ-UONOGXRCSA-N 0 1 290.432 2.581 20 30 CFEDMN CC#CCN1CC[C@H](NC(=O)C23CCC(CC2)C3)[C@H]1CC ZINC001087625316 777669753 /nfs/dbraw/zinc/66/97/53/777669753.db2.gz BTGDIEZUURZSGO-BNQMIIOLSA-N 0 1 288.435 2.559 20 30 CFEDMN N#CC1CCN(Cc2c[nH]c3cc(Cl)ncc23)CC1 ZINC001232817728 777679366 /nfs/dbraw/zinc/67/93/66/777679366.db2.gz HRWQWPVOWTZOFB-UHFFFAOYSA-N 0 1 274.755 2.952 20 30 CFEDMN CC#CCN1CC[C@H](NC(=O)C2CC3(CCC3)C2)[C@H]1CC ZINC001087692800 777680577 /nfs/dbraw/zinc/68/05/77/777680577.db2.gz GWORFWZUWKNXMF-JKSUJKDBSA-N 0 1 288.435 2.559 20 30 CFEDMN CC#CCN1CC[C@H](NC(=O)[C@@H]2CCC(C)(C)C2)[C@H]1CC ZINC001087717227 777685534 /nfs/dbraw/zinc/68/55/34/777685534.db2.gz WWMVWGKPWBAGDC-OWCLPIDISA-N 0 1 290.451 2.805 20 30 CFEDMN C#C[C@H]1CCCN(Cc2cc(OC)c(C)cc2OC)C1 ZINC001232837257 777688379 /nfs/dbraw/zinc/68/83/79/777688379.db2.gz QLAPUYGBUFUTAQ-AWEZNQCLSA-N 0 1 273.376 2.857 20 30 CFEDMN N#Cc1ccc(CN2CCC(c3ncccn3)CC2)s1 ZINC001232843975 777690469 /nfs/dbraw/zinc/69/04/69/777690469.db2.gz JNIHGMOAPFEUJQ-UHFFFAOYSA-N 0 1 284.388 2.789 20 30 CFEDMN N#Cc1ccc(CN2CCc3cccc(O)c3C2)s1 ZINC001232847224 777692056 /nfs/dbraw/zinc/69/20/56/777692056.db2.gz SUYONFHQPKRVGD-UHFFFAOYSA-N 0 1 270.357 2.884 20 30 CFEDMN N#CC[C@H]1CCCN(Cc2ccc3ncoc3c2)C1 ZINC001232942714 777731171 /nfs/dbraw/zinc/73/11/71/777731171.db2.gz IKLIYHNFMGEAGD-GFCCVEGCSA-N 0 1 255.321 2.953 20 30 CFEDMN COC(=O)[C@@H]1CCCN(Cc2ccc(C)cc2C#N)[C@@H]1C ZINC001232967303 777743116 /nfs/dbraw/zinc/74/31/16/777743116.db2.gz HWSUBBFZKSQCGD-CZUORRHYSA-N 0 1 286.375 2.640 20 30 CFEDMN Cc1ccc(CN2CCC3(C[C@H](F)CO3)CC2)c(C#N)c1 ZINC001232967082 777743407 /nfs/dbraw/zinc/74/34/07/777743407.db2.gz ALKHMVRFXGXKOL-INIZCTEOSA-N 0 1 288.366 2.960 20 30 CFEDMN C=C1CC(C)(C(=O)N2C[C@H]3CC[C@@H](C2)N3CC=C(C)C)C1 ZINC001029465456 777762548 /nfs/dbraw/zinc/76/25/48/777762548.db2.gz XZUQNUZZNLVEJJ-IYBDPMFKSA-N 0 1 288.435 2.984 20 30 CFEDMN N#C[C@@H]1CCC[N@H+](Cc2ccc(F)c(F)c2[O-])CC1 ZINC001233077888 777789156 /nfs/dbraw/zinc/78/91/56/777789156.db2.gz BLVXDYVWXWEWMA-SNVBAGLBSA-N 0 1 266.291 2.796 20 30 CFEDMN CSc1nc(CN2CCC[C@@H](C)C2)ccc1C#N ZINC001141929624 777791659 /nfs/dbraw/zinc/79/16/59/777791659.db2.gz YRYAIGARVFUXBB-LLVKDONJSA-N 0 1 261.394 2.907 20 30 CFEDMN CN(C)c1ccc(CN2CC[C@@](C)(CF)C2)c(F)c1C#N ZINC001233098384 777794652 /nfs/dbraw/zinc/79/46/52/777794652.db2.gz KDJXUKRHNFMRSB-INIZCTEOSA-N 0 1 293.361 2.945 20 30 CFEDMN CN(C)c1ccc(CN2C[C@@H]3C[C@H]2C[C@@H]3F)c(F)c1C#N ZINC001233101946 777795221 /nfs/dbraw/zinc/79/52/21/777795221.db2.gz KXTWOSJRUCRCRO-OBJOEFQTSA-N 0 1 291.345 2.696 20 30 CFEDMN N#C[C@@H]1CCC[N@H+](Cc2c([O-])ccc(F)c2F)CC1 ZINC001233335379 777894803 /nfs/dbraw/zinc/89/48/03/777894803.db2.gz SJUXNSPVMMZQPQ-SNVBAGLBSA-N 0 1 266.291 2.796 20 30 CFEDMN CCCC(=O)N1CC[C@@H](C[N@@H+](C)Cc2ccccc2C#N)C1 ZINC001029626998 777902832 /nfs/dbraw/zinc/90/28/32/777902832.db2.gz VZKSYOUXATUVPI-HNNXBMFYSA-N 0 1 299.418 2.639 20 30 CFEDMN CCCC(=O)N1CC[C@@H](CN(C)Cc2ccccc2C#N)C1 ZINC001029626998 777902834 /nfs/dbraw/zinc/90/28/34/777902834.db2.gz VZKSYOUXATUVPI-HNNXBMFYSA-N 0 1 299.418 2.639 20 30 CFEDMN C[N@@H+](CCc1ccccc1)Cc1ccc(C#N)cc1[O-] ZINC001233383886 777926468 /nfs/dbraw/zinc/92/64/68/777926468.db2.gz ZTQDFYWKKDDVJK-UHFFFAOYSA-N 0 1 266.344 2.938 20 30 CFEDMN CO[C@H]1CCC[C@@H]2C[N@@H+](Cc3ccc(C#N)cc3[O-])C[C@@H]21 ZINC001233385816 777927408 /nfs/dbraw/zinc/92/74/08/777927408.db2.gz URYQLSOWHNSMIN-KMFMINBZSA-N 0 1 286.375 2.511 20 30 CFEDMN N#Cc1ccc(C[N@H+]2CC[C@H](C(F)(F)F)C2)c([O-])c1 ZINC001233386175 777927507 /nfs/dbraw/zinc/92/75/07/777927507.db2.gz IVNQMDZAWWVBBA-NSHDSACASA-N 0 1 270.254 2.648 20 30 CFEDMN CC(C)[N@@H+]1CCC[C@@H](Oc2cc([O-])ccc2C#N)C1 ZINC001228007227 777992813 /nfs/dbraw/zinc/99/28/13/777992813.db2.gz OHWXVOJQOLTKPV-CQSZACIVSA-N 0 1 260.337 2.515 20 30 CFEDMN CC(C)[N@H+]1CCC[C@@H](Oc2cc([O-])ccc2C#N)C1 ZINC001228007227 777992817 /nfs/dbraw/zinc/99/28/17/777992817.db2.gz OHWXVOJQOLTKPV-CQSZACIVSA-N 0 1 260.337 2.515 20 30 CFEDMN COc1cc(/C=N/[O-])ccc1O[C@H]1CCC[N@@H+](C(C)C)C1 ZINC001233804332 778081489 /nfs/dbraw/zinc/08/14/89/778081489.db2.gz XGBMCPJKMUAGRO-FBJMNJBLSA-N 0 1 292.379 2.755 20 30 CFEDMN COc1cc(/C=N/[O-])ccc1O[C@H]1CCC[N@H+](C(C)C)C1 ZINC001233804332 778081500 /nfs/dbraw/zinc/08/15/00/778081500.db2.gz XGBMCPJKMUAGRO-FBJMNJBLSA-N 0 1 292.379 2.755 20 30 CFEDMN C=C1CC(C)(C(=O)N[C@H]2CCN(C[C@@H](F)CC)[C@@H]2C)C1 ZINC001088844117 778109749 /nfs/dbraw/zinc/10/97/49/778109749.db2.gz CRQUTKFKVIZFFZ-RDBSUJKOSA-N 0 1 282.403 2.670 20 30 CFEDMN C#CCCCC(=O)N(C)C[C@@H]1CCN1Cc1cccc(C)c1 ZINC001233946924 778118903 /nfs/dbraw/zinc/11/89/03/778118903.db2.gz FSORQEHBOVIPBW-SFHVURJKSA-N 0 1 298.430 2.831 20 30 CFEDMN COc1cc(CN2CCC(C#N)CC2)ccc1-n1ccnc1 ZINC001234032182 778146387 /nfs/dbraw/zinc/14/63/87/778146387.db2.gz HRBYCRIKOCFYBM-UHFFFAOYSA-N 0 1 296.374 2.616 20 30 CFEDMN C=CC[C@H](C=C)Oc1nc2cccc(C(=O)OC)c2[n-]1 ZINC001234046079 778151859 /nfs/dbraw/zinc/15/18/59/778151859.db2.gz XXXWIGXUXWWYIP-JTQLQIEISA-N 0 1 272.304 2.859 20 30 CFEDMN C=CC[C@H](C=C)Oc1nc2cccc(C(=O)OC)c2[nH]1 ZINC001234046079 778151864 /nfs/dbraw/zinc/15/18/64/778151864.db2.gz XXXWIGXUXWWYIP-JTQLQIEISA-N 0 1 272.304 2.859 20 30 CFEDMN C=CC[N@@H+]1CC[C@@H]1CN(C)C(=O)CCO[C@@H](C)CC(C)C ZINC001234255316 778194067 /nfs/dbraw/zinc/19/40/67/778194067.db2.gz LMXNDXUZMGJEDV-JKSUJKDBSA-N 0 1 296.455 2.546 20 30 CFEDMN C=CCN1CC[C@@H]1CN(C)C(=O)CCO[C@@H](C)CC(C)C ZINC001234255316 778194069 /nfs/dbraw/zinc/19/40/69/778194069.db2.gz LMXNDXUZMGJEDV-JKSUJKDBSA-N 0 1 296.455 2.546 20 30 CFEDMN C=CC[C@@H](C)Oc1[nH]c(=O)nc2cccc(C#N)c21 ZINC001234511841 778240685 /nfs/dbraw/zinc/24/06/85/778240685.db2.gz XDAMXJFQCJMGIL-SECBINFHSA-N 0 1 255.277 2.550 20 30 CFEDMN C[C@H]1CCC[C@@H]1Oc1[nH]c(=O)nc2cccc(C#N)c21 ZINC001234511600 778240939 /nfs/dbraw/zinc/24/09/39/778240939.db2.gz RSOAIJXIHSJLNE-CABZTGNLSA-N 0 1 269.304 2.774 20 30 CFEDMN C=CC(C)(C)CC(=O)N(C)C[C@@H]1CCN1CC(=C)C ZINC001234537358 778247406 /nfs/dbraw/zinc/24/74/06/778247406.db2.gz NEHOJNFULFJGRJ-AWEZNQCLSA-N 0 1 264.413 2.698 20 30 CFEDMN C[NH+](C)[C@H]1CC[C@H](Oc2ccccc2C=N[O-])CC1 ZINC001234819852 778302560 /nfs/dbraw/zinc/30/25/60/778302560.db2.gz PRDZYMYFONNRLW-HDJSIYSDSA-N 0 1 262.353 2.746 20 30 CFEDMN N#Cc1c(O[C@H]2CN3CCC2CC3)cnc2ccccc12 ZINC001234853747 778310041 /nfs/dbraw/zinc/31/00/41/778310041.db2.gz CCCCZGVNUHZOCM-KRWDZBQOSA-N 0 1 279.343 2.579 20 30 CFEDMN C=C[C@@H](CC)CC(=O)N(C)C[C@H](C)NCc1cnc(C)o1 ZINC001277914323 778346499 /nfs/dbraw/zinc/34/64/99/778346499.db2.gz NUHYIZGEEVYACS-JSGCOSHPSA-N 0 1 293.411 2.522 20 30 CFEDMN C=C[C@@H](CC)CC(=O)N(C)C[C@@H](C)NCc1cnc(C)o1 ZINC001277914324 778347214 /nfs/dbraw/zinc/34/72/14/778347214.db2.gz NUHYIZGEEVYACS-OCCSQVGLSA-N 0 1 293.411 2.522 20 30 CFEDMN N#C[C@@H]1CCN(Cc2cc(Br)cc(F)c2O)C1 ZINC001235069857 778370634 /nfs/dbraw/zinc/37/06/34/778370634.db2.gz XTNHXTUETLNQTM-QMMMGPOBSA-N 0 1 299.143 2.639 20 30 CFEDMN C#CCN1CC[C@H](NC(=O)C2(C)CCCCCC2)[C@H]1C ZINC001088627948 778371122 /nfs/dbraw/zinc/37/11/22/778371122.db2.gz PUFHFUIWHBBGQX-CABCVRRESA-N 0 1 276.424 2.559 20 30 CFEDMN C=CCN1CC[C@H](NC(=O)c2ccc3nc(C)oc3c2)[C@H]1C ZINC001088637041 778371660 /nfs/dbraw/zinc/37/16/60/778371660.db2.gz LSJVMDVEBQWEPK-RISCZKNCSA-N 0 1 299.374 2.515 20 30 CFEDMN CC#CCN1CC[C@H](NC(=O)[C@H]2CCC=CCCC2)[C@H]1C ZINC001088657192 778378875 /nfs/dbraw/zinc/37/88/75/778378875.db2.gz WEXKMXKFWJXTPH-IKGGRYGDSA-N 0 1 288.435 2.725 20 30 CFEDMN C=C[C@](C)(CC)C(=O)N(C)C[C@@H](C)NCc1ocnc1C ZINC001277928499 778403210 /nfs/dbraw/zinc/40/32/10/778403210.db2.gz FZKQFDKMYUNREY-MLGOLLRUSA-N 0 1 293.411 2.522 20 30 CFEDMN C#CCN(C)Cc1cc2c(cccc2Br)[nH]1 ZINC001235217957 778419491 /nfs/dbraw/zinc/41/94/91/778419491.db2.gz HGQDMMJGZLQRFP-UHFFFAOYSA-N 0 1 277.165 2.995 20 30 CFEDMN C=C(C)C[N@@H+]1CC[C@@H]1CN(C)C(=O)[C@H](CC)CC(F)F ZINC001235224560 778420572 /nfs/dbraw/zinc/42/05/72/778420572.db2.gz HMAUEOGWYVCRGN-CHWSQXEVSA-N 0 1 288.382 2.777 20 30 CFEDMN C=C(C)CN1CC[C@@H]1CN(C)C(=O)[C@H](CC)CC(F)F ZINC001235224560 778420577 /nfs/dbraw/zinc/42/05/77/778420577.db2.gz HMAUEOGWYVCRGN-CHWSQXEVSA-N 0 1 288.382 2.777 20 30 CFEDMN CC(C)N1CC(Nc2ccc(C#C[Si](C)(C)C)nc2)C1 ZINC001168317653 778429340 /nfs/dbraw/zinc/42/93/40/778429340.db2.gz QMPXVUGSDYYPDT-UHFFFAOYSA-N 0 1 287.483 2.815 20 30 CFEDMN Cc1cccc(Cl)c1CNCCNC(=O)C#CC(C)C ZINC001126815363 778470622 /nfs/dbraw/zinc/47/06/22/778470622.db2.gz BGRDFPLXYCGPPN-UHFFFAOYSA-N 0 1 292.810 2.514 20 30 CFEDMN CCc1ccc(NC(=O)C(C#N)C(=O)c2ccco2)cc1 ZINC000128359660 778505615 /nfs/dbraw/zinc/50/56/15/778505615.db2.gz NQWVRJBBWFGGKR-CYBMUJFWSA-N 0 1 282.299 2.803 20 30 CFEDMN Cc1nc([C@@H]2CCC[N@@H+](Cc3ccccc3CC#N)C2)no1 ZINC001235512998 778508571 /nfs/dbraw/zinc/50/85/71/778508571.db2.gz YGTRZVWHKDUWRF-MRXNPFEDSA-N 0 1 296.374 2.824 20 30 CFEDMN N#CCc1ccccc1C[N@@H+]1CC[C@@H]2SC(=O)C=C2C1 ZINC001235515003 778510308 /nfs/dbraw/zinc/51/03/08/778510308.db2.gz NSJBOHGVLKHNKW-HNNXBMFYSA-N 0 1 284.384 2.527 20 30 CFEDMN N#CCc1ccccc1CN1CCC2SC(=O)C=C2C1 ZINC001235515003 778510309 /nfs/dbraw/zinc/51/03/09/778510309.db2.gz NSJBOHGVLKHNKW-HNNXBMFYSA-N 0 1 284.384 2.527 20 30 CFEDMN C=CCCC[N@@H+]1CC[C@@H]1CN(C)C(=O)[C@H]1CCC1(F)F ZINC001235682419 778535637 /nfs/dbraw/zinc/53/56/37/778535637.db2.gz DIOWGXJGPQSAOG-CHWSQXEVSA-N 0 1 286.366 2.531 20 30 CFEDMN Cc1ccc(NC(=O)C[C@H](C)NCCC#N)cc1Cl ZINC000346742987 778588114 /nfs/dbraw/zinc/58/81/14/778588114.db2.gz VJFBQRISSWPTDG-NSHDSACASA-N 0 1 279.771 2.869 20 30 CFEDMN N#Cc1cc(-c2cc3[nH]cnc3c(C#N)n2)ccc1F ZINC001235890104 778591991 /nfs/dbraw/zinc/59/19/91/778591991.db2.gz FNAZYCMWAQITFN-UHFFFAOYSA-N 0 1 263.235 2.507 20 30 CFEDMN C=CC[N@H+]1C[C@@H]2CCN(C(=O)c3cccc(C4CC4)c3)[C@@H]2C1 ZINC001076616022 778598820 /nfs/dbraw/zinc/59/88/20/778598820.db2.gz IZULITLDUTWORS-ZWKOTPCHSA-N 0 1 296.414 2.896 20 30 CFEDMN C=C1O[C@H](C)C(=O)C1OCC1Cc2ccccc2C1 ZINC001224802119 778692192 /nfs/dbraw/zinc/69/21/92/778692192.db2.gz TVZKXJOKWBYART-SNVBAGLBSA-N 0 1 258.317 2.637 20 30 CFEDMN COc1ccccc1NC(=O)C(C#N)C(=O)C1CCCC1 ZINC000129802265 778835997 /nfs/dbraw/zinc/83/59/97/778835997.db2.gz DZRJKRNXLHAOHH-GFCCVEGCSA-N 0 1 286.331 2.533 20 30 CFEDMN C#CCN(C)Cc1cc(Br)ccc1N(C)C ZINC001236705170 778915883 /nfs/dbraw/zinc/91/58/83/778915883.db2.gz IXDLLHNIKPVKPS-UHFFFAOYSA-N 0 1 281.197 2.580 20 30 CFEDMN C#CCCN1CC[C@H](NC(=O)c2cc(Cl)cs2)[C@H]1C ZINC001088898449 778940562 /nfs/dbraw/zinc/94/05/62/778940562.db2.gz FLZKKUQQADJQID-PWSUYJOCSA-N 0 1 296.823 2.617 20 30 CFEDMN C=CCN1CC[C@H](NC(=O)C23CCC(CC2)C3(C)C)[C@H]1C ZINC001088905528 778943725 /nfs/dbraw/zinc/94/37/25/778943725.db2.gz ZUXKFNWRAZDFCB-GBRKPNRJSA-N 0 1 290.451 2.968 20 30 CFEDMN C=CC[N@@H+]1CC[C@H](NC(=O)c2cc(C)cc(C)c2)[C@H]1C ZINC001089003758 778972468 /nfs/dbraw/zinc/97/24/68/778972468.db2.gz HVZRAARQALPZFE-ZBFHGGJFSA-N 0 1 272.392 2.682 20 30 CFEDMN C#CCC[N@@H+]1CC[C@H](NC(=O)c2cc(C)ccc2C)[C@H]1C ZINC001089003544 778972897 /nfs/dbraw/zinc/97/28/97/778972897.db2.gz WBFIGUPSQBIYSV-WBVHZDCISA-N 0 1 284.403 2.519 20 30 CFEDMN C=CCN1CC[C@H](NC(=O)c2cc(C)c(C)s2)[C@H]1C ZINC001089027560 778977284 /nfs/dbraw/zinc/97/72/84/778977284.db2.gz YHJRLEVXSJFRPV-YPMHNXCESA-N 0 1 278.421 2.744 20 30 CFEDMN C=CCN1CC[C@H](NC(=O)c2cc(Cl)cn2CC)[C@H]1C ZINC001089043085 778980568 /nfs/dbraw/zinc/98/05/68/778980568.db2.gz JXTCNSUKXHUNJC-YPMHNXCESA-N 0 1 295.814 2.540 20 30 CFEDMN C=CCCCCCN1CCN[C@@H](C(F)(F)F)C1 ZINC001236984189 778983611 /nfs/dbraw/zinc/98/36/11/778983611.db2.gz XZCZILDCGROJID-LLVKDONJSA-N 0 1 250.308 2.569 20 30 CFEDMN C#CCCCCC(=O)NC1(C)CCN(C/C=C/Cl)CC1 ZINC001278045373 778999269 /nfs/dbraw/zinc/99/92/69/778999269.db2.gz CTSVBEJMKYCVRV-YRNVUSSQSA-N 0 1 296.842 2.903 20 30 CFEDMN C=C(C)CCN1CC(NC(=O)Cc2cccc(C3CC3)c2)C1 ZINC001030731908 779002972 /nfs/dbraw/zinc/00/29/72/779002972.db2.gz GSIUNZQNWRYFMU-UHFFFAOYSA-N 0 1 298.430 2.873 20 30 CFEDMN N#Cc1ccc(O)c(NC(=O)CSCc2ccncc2)c1 ZINC000176408884 779125140 /nfs/dbraw/zinc/12/51/40/779125140.db2.gz SHFXZJUAQNRWSA-UHFFFAOYSA-N 0 1 299.355 2.531 20 30 CFEDMN C[C@@]1(CO)CCCN(Cc2cc(C#N)c(F)cc2F)CC1 ZINC001237524903 779127275 /nfs/dbraw/zinc/12/72/75/779127275.db2.gz NSIYNGNVUKXLGA-MRXNPFEDSA-N 0 1 294.345 2.821 20 30 CFEDMN C[C@@H]1C[C@@H](C)CCN1Cc1cn2cc(C#N)ccc2n1 ZINC001237614550 779142650 /nfs/dbraw/zinc/14/26/50/779142650.db2.gz QAMIAYSRGUDHJM-QWHCGFSZSA-N 0 1 268.364 2.826 20 30 CFEDMN C#CCNCC(=O)N1CCCCC[C@@H]1c1cccc(C)c1 ZINC001121960804 779145349 /nfs/dbraw/zinc/14/53/49/779145349.db2.gz XBPRNTJGRIZIEC-QGZVFWFLSA-N 0 1 284.403 2.662 20 30 CFEDMN C=CCN1C[C@]2(CC1=O)CCCCN2CCC(F)(F)F ZINC001272502437 779149259 /nfs/dbraw/zinc/14/92/59/779149259.db2.gz NZUJWNXDFUIULI-CYBMUJFWSA-N 0 1 290.329 2.582 20 30 CFEDMN C=CCN1CC(C)(C)CC[C@H]1CNC(=O)[C@H](F)CC ZINC001099177690 779159206 /nfs/dbraw/zinc/15/92/06/779159206.db2.gz ZWULLFKLHXPRCQ-QWHCGFSZSA-N 0 1 270.392 2.527 20 30 CFEDMN C=CCN1CC[C@@](C)(NC(=O)c2ccc(C)c(F)c2F)C1 ZINC001046642078 779255074 /nfs/dbraw/zinc/25/50/74/779255074.db2.gz BFGGEEJJUJKBNB-MRXNPFEDSA-N 0 1 294.345 2.653 20 30 CFEDMN N#C[C@@H]1CCCN1Cc1cc(Cl)c(O)cc1F ZINC001238144080 779260046 /nfs/dbraw/zinc/26/00/46/779260046.db2.gz TXAVJDFYMWIBDG-VIFPVBQESA-N 0 1 254.692 2.673 20 30 CFEDMN N#Cc1cc(CN2CCCC[C@@H](O)C2)ccc1Cl ZINC001238189579 779273658 /nfs/dbraw/zinc/27/36/58/779273658.db2.gz SQBJTYZGDRZQPB-CYBMUJFWSA-N 0 1 264.756 2.558 20 30 CFEDMN N#Cc1cc(CN2CCC3(CCO3)CC2)ccc1Cl ZINC001238190985 779274625 /nfs/dbraw/zinc/27/46/25/779274625.db2.gz HQTFSAGZCOHNKX-UHFFFAOYSA-N 0 1 276.767 2.967 20 30 CFEDMN C[C@@H]1CC[C@@H](CO)CN1Cc1ccc(Cl)c(C#N)c1 ZINC001238190032 779275296 /nfs/dbraw/zinc/27/52/96/779275296.db2.gz ZYVPOOMBCWOZDZ-DGCLKSJQSA-N 0 1 278.783 2.804 20 30 CFEDMN N#Cc1cc(CN2CCC[C@@H](CCO)C2)ccc1Cl ZINC001238191788 779275389 /nfs/dbraw/zinc/27/53/89/779275389.db2.gz QMRAPRWQKKYORX-LBPRGKRZSA-N 0 1 278.783 2.806 20 30 CFEDMN N#CC[C@@H]1CCC[N@H+](Cc2ccc(F)cc2C(=O)[O-])C1 ZINC001238236065 779287532 /nfs/dbraw/zinc/28/75/32/779287532.db2.gz PDKAWWDIZNCNMG-NSHDSACASA-N 0 1 276.311 2.650 20 30 CFEDMN C=CCN1CCN([C@H](C)Cc2cccc(F)c2)CC1 ZINC001168489046 779302609 /nfs/dbraw/zinc/30/26/09/779302609.db2.gz BSABIPGXARXRFY-CQSZACIVSA-N 0 1 262.372 2.560 20 30 CFEDMN C=C(C)CN1CC[C@@](C)(NC(=O)c2csc(Cl)n2)C1 ZINC001046752061 779351023 /nfs/dbraw/zinc/35/10/23/779351023.db2.gz XLNOTEQAPVXILY-CYBMUJFWSA-N 0 1 299.827 2.567 20 30 CFEDMN C#CCC[N@@H+]1CC[C@@](C)(NC(=O)C2CC(C(C)(C)C)C2)C1 ZINC001046864906 779399492 /nfs/dbraw/zinc/39/94/92/779399492.db2.gz YGBWEPTZGABMEG-JTTJXQCZSA-N 0 1 290.451 2.663 20 30 CFEDMN CN1CCN(c2cc(-c3ccccc3CS)ccn2)CC1 ZINC001238823355 779400053 /nfs/dbraw/zinc/40/00/53/779400053.db2.gz OZWRWGCKVRGSOT-UHFFFAOYSA-N 0 1 299.443 2.930 20 30 CFEDMN N#Cc1cc(C(F)(F)F)ccc1-c1cc2c(nn1)CNC2 ZINC001238838855 779402212 /nfs/dbraw/zinc/40/22/12/779402212.db2.gz AOQAKJZRMKIXKP-UHFFFAOYSA-N 0 1 290.248 2.637 20 30 CFEDMN CCCCCCCNC(=O)N1CCNC[C@H]1CCC ZINC001239293478 779504354 /nfs/dbraw/zinc/50/43/54/779504354.db2.gz OKXJVNTZXMMHDU-CQSZACIVSA-N 0 1 269.433 2.740 20 30 CFEDMN N#Cc1ccc(/C=C/c2ccc(-c3nn[nH]n3)cc2)cc1 ZINC001239297879 779505313 /nfs/dbraw/zinc/50/53/13/779505313.db2.gz YASPOESLNHOIET-OWOJBTEDSA-N 0 1 273.299 2.909 20 30 CFEDMN CN(CCO)Cc1ccc(C#Cc2ccccc2)s1 ZINC001236256007 779513220 /nfs/dbraw/zinc/51/32/20/779513220.db2.gz VUDOBPDVRALZJF-UHFFFAOYSA-N 0 1 271.385 2.572 20 30 CFEDMN C#CCN1CC(C)(C)CC[C@@H]1CNC(=O)C[C@@H](C)C1CC1 ZINC001099358358 779516265 /nfs/dbraw/zinc/51/62/65/779516265.db2.gz GKTYGTSGZDWJAF-GDBMZVCRSA-N 0 1 290.451 2.663 20 30 CFEDMN C=C(C)CN1CC(CNC(=O)c2ccc([C@@H]3C[C@@H]3C)o2)C1 ZINC001031665256 779522435 /nfs/dbraw/zinc/52/24/35/779522435.db2.gz XIDFCQUCSBSJTK-GXTWGEPZSA-N 0 1 288.391 2.641 20 30 CFEDMN C=CCN1CC(C)(C)CC[C@H]1CNC(=O)c1ccco1 ZINC001089595207 779536506 /nfs/dbraw/zinc/53/65/06/779536506.db2.gz GSEQVIAMWAQDCS-ZDUSSCGKSA-N 0 1 276.380 2.686 20 30 CFEDMN C#CCN(C)Cc1ccccc1CNC(=O)[C@@H]1C[C@H]1C(C)C ZINC001272675329 779545088 /nfs/dbraw/zinc/54/50/88/779545088.db2.gz JEQJNWCMKBRTQF-ZWKOTPCHSA-N 0 1 298.430 2.660 20 30 CFEDMN CC#CCN(C)Cc1ccccc1CNC(=O)CCCF ZINC001272675441 779545533 /nfs/dbraw/zinc/54/55/33/779545533.db2.gz LQXQWBIPIHFNQM-UHFFFAOYSA-N 0 1 290.382 2.508 20 30 CFEDMN C=C(C)CN1CC(CNC(=O)[C@@H]2CCC=CCCC2)C1 ZINC001031763808 779593101 /nfs/dbraw/zinc/59/31/01/779593101.db2.gz ZPGRJTKOKYANCM-MRXNPFEDSA-N 0 1 276.424 2.747 20 30 CFEDMN Cc1nc2ccc(Nc3onc(C)c3C#N)cc2[nH]1 ZINC001213070479 779600728 /nfs/dbraw/zinc/60/07/28/779600728.db2.gz RSXDMYCTSJTCST-UHFFFAOYSA-N 0 1 253.265 2.783 20 30 CFEDMN C=CCN1CC(CNC(=O)c2cc3ccccc3s2)C1 ZINC001031821674 779627641 /nfs/dbraw/zinc/62/76/41/779627641.db2.gz CGSOZQNUENLHOO-UHFFFAOYSA-N 0 1 286.400 2.749 20 30 CFEDMN C=C(C)CN1CC(CNC(=O)[C@@H]2[C@@H](C=C(C)C)C2(C)C)C1 ZINC001031829856 779632359 /nfs/dbraw/zinc/63/23/59/779632359.db2.gz GVRRVPXJDTWDJS-CVEARBPZSA-N 0 1 290.451 2.849 20 30 CFEDMN C=C(C)CN1CC(CNC(=O)[C@H]2[C@H](C=C(C)C)C2(C)C)C1 ZINC001031829861 779632468 /nfs/dbraw/zinc/63/24/68/779632468.db2.gz GVRRVPXJDTWDJS-JKSUJKDBSA-N 0 1 290.451 2.849 20 30 CFEDMN C=C(C)CN1CC(CNC(=O)c2ccc(Cl)cc2C)C1 ZINC001031945952 779679420 /nfs/dbraw/zinc/67/94/20/779679420.db2.gz CVTRFIMDIMMDBE-UHFFFAOYSA-N 0 1 292.810 2.886 20 30 CFEDMN C=C(C)CN1CC(CNC(=O)c2ccc(Cl)c(C)c2)C1 ZINC001031946821 779681391 /nfs/dbraw/zinc/68/13/91/779681391.db2.gz PDRUVIQCXYLWCU-UHFFFAOYSA-N 0 1 292.810 2.886 20 30 CFEDMN C=C(C)CN1CC[C@]2(CCCN2Cc2ncccc2C)C1=O ZINC001272715406 779712887 /nfs/dbraw/zinc/71/28/87/779712887.db2.gz JAHYPIQAJRDDGQ-GOSISDBHSA-N 0 1 299.418 2.533 20 30 CFEDMN C=C(C)CN1CC(CNC(=O)c2ccc3c(c2)CCC=C3)C1 ZINC001032131397 779744530 /nfs/dbraw/zinc/74/45/30/779744530.db2.gz UJPWDYRMKBYPIA-UHFFFAOYSA-N 0 1 296.414 2.884 20 30 CFEDMN C=C(C)CN1CC(CNC(=O)c2ccc(C)cc2C)C1 ZINC001032164834 779750430 /nfs/dbraw/zinc/75/04/30/779750430.db2.gz KSRFTGCCECAGIC-UHFFFAOYSA-N 0 1 272.392 2.541 20 30 CFEDMN C[C@@H]1CCCN(Cc2ccc(Cl)c(C#N)c2)[C@H]1CO ZINC001238189362 779761002 /nfs/dbraw/zinc/76/10/02/779761002.db2.gz PRRPAGPJTYXFHO-ABAIWWIYSA-N 0 1 278.783 2.804 20 30 CFEDMN C=CCN1CC(CNC(=O)c2cc(-c3ccccc3)co2)C1 ZINC001032232515 779777388 /nfs/dbraw/zinc/77/73/88/779777388.db2.gz ZAYNDPBFHOGXDY-UHFFFAOYSA-N 0 1 296.370 2.794 20 30 CFEDMN C=C(C)C[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)C1CCCCCC1 ZINC001032311354 779837441 /nfs/dbraw/zinc/83/74/41/779837441.db2.gz YUPGMBMDEHPFQD-HOTGVXAUSA-N 0 1 276.424 2.818 20 30 CFEDMN C=C(C)CN1C[C@@H]2C[C@H]1CN2C(=O)C1CCCCCC1 ZINC001032311354 779837451 /nfs/dbraw/zinc/83/74/51/779837451.db2.gz YUPGMBMDEHPFQD-HOTGVXAUSA-N 0 1 276.424 2.818 20 30 CFEDMN CCCCCCCN1CCO[C@@](C)(CNC(=O)CCC)C1 ZINC001107693138 779881462 /nfs/dbraw/zinc/88/14/62/779881462.db2.gz WAGUMTKFJJEZRM-KRWDZBQOSA-N 0 1 298.471 2.964 20 30 CFEDMN C=CCCN1C[C@@H]2C[C@H]1CN2C(=O)C(F)=C1CCCC1 ZINC001032353964 779887708 /nfs/dbraw/zinc/88/77/08/779887708.db2.gz LGFHTCCEBXNWIP-KBPBESRZSA-N 0 1 278.371 2.645 20 30 CFEDMN C=CCCCN1CCO[C@@](C)(CNC(=O)CCCCC)C1 ZINC001107741793 779890746 /nfs/dbraw/zinc/89/07/46/779890746.db2.gz PTSZGVQNWHBDBD-KRWDZBQOSA-N 0 1 296.455 2.740 20 30 CFEDMN C=CCCN1CCO[C@@](C)(CNC(=O)C[C@H](C)CCC)C1 ZINC001107800483 779902350 /nfs/dbraw/zinc/90/23/50/779902350.db2.gz STVNPAUIYBWSSF-WBVHZDCISA-N 0 1 296.455 2.596 20 30 CFEDMN C=CCCC[N@H+]1CCO[C@](C)(CNC(=O)/C=C(\C)CC)C1 ZINC001107924146 779940470 /nfs/dbraw/zinc/94/04/70/779940470.db2.gz IWFLRXSCIWBAFY-OKACTXMXSA-N 0 1 294.439 2.516 20 30 CFEDMN C=CCCCN1CCO[C@](C)(CNC(=O)/C=C(\C)CC)C1 ZINC001107924146 779940476 /nfs/dbraw/zinc/94/04/76/779940476.db2.gz IWFLRXSCIWBAFY-OKACTXMXSA-N 0 1 294.439 2.516 20 30 CFEDMN CN1CCN(c2ccc(-c3ccc(C#N)c(F)c3)nc2)CC1 ZINC001240162227 779980665 /nfs/dbraw/zinc/98/06/65/779980665.db2.gz GPMWVPJKZLCJQX-UHFFFAOYSA-N 0 1 296.349 2.511 20 30 CFEDMN C=C(C)C(C)(C)C(=O)N1C[C@@H]2C[C@H]1C[N@@H+]2CCC(C)C ZINC001032558966 780034674 /nfs/dbraw/zinc/03/46/74/780034674.db2.gz PKHGYJCOVCNPOE-GJZGRUSLSA-N 0 1 278.440 2.920 20 30 CFEDMN C=C(C)CN1C[C@@H]2C[C@H]1CN2C(=O)[C@H](C)c1ccsc1 ZINC001032622582 780080227 /nfs/dbraw/zinc/08/02/27/780080227.db2.gz ROILYYCJXAJTEU-SNPRPXQTSA-N 0 1 290.432 2.713 20 30 CFEDMN C=C(C)CN1CC[C@]2(CCCN2Cc2cnccc2C)C1=O ZINC001272815873 780123057 /nfs/dbraw/zinc/12/30/57/780123057.db2.gz UFFFLBUVAMWTSY-GOSISDBHSA-N 0 1 299.418 2.533 20 30 CFEDMN CC(C)(O)c1cncc(-c2nccc3[nH]cc(C#N)c32)c1 ZINC001240665379 780337230 /nfs/dbraw/zinc/33/72/30/780337230.db2.gz SIVVTNOOMHMRTC-UHFFFAOYSA-N 0 1 278.315 2.724 20 30 CFEDMN N#Cc1c[nH]c2ccnc(-c3cnn([C@@H]4CCCCO4)c3)c12 ZINC001240673870 780348536 /nfs/dbraw/zinc/34/85/36/780348536.db2.gz FBIOQMCJZOXNBM-AWEZNQCLSA-N 0 1 293.330 2.997 20 30 CFEDMN CSc1nc(C)c(C#N)c(-c2ccc(O)c(F)c2)n1 ZINC001240781909 780436423 /nfs/dbraw/zinc/43/64/23/780436423.db2.gz KEAGVZNTCPWAPK-UHFFFAOYSA-N 0 1 275.308 2.890 20 30 CFEDMN C=CC(C)(C)C(=O)Nc1ccc(-c2nnc[nH]2)cc1F ZINC001128483225 780488864 /nfs/dbraw/zinc/48/88/64/780488864.db2.gz RNDVVGHQGAOVSG-UHFFFAOYSA-N 0 1 274.299 2.762 20 30 CFEDMN C=C(C)CN1CC[C@@H](N(C)C(=O)C(F)=C2CCCC2)C1 ZINC001033005271 780527864 /nfs/dbraw/zinc/52/78/64/780527864.db2.gz QJDYSDDRANKWTQ-CQSZACIVSA-N 0 1 280.387 2.893 20 30 CFEDMN CC#CCN1CC[C@H](N(C)C(=O)[C@H]2CCCC3(CC3)C2)C1 ZINC001033075265 780555039 /nfs/dbraw/zinc/55/50/39/780555039.db2.gz FBXXUVLZFZEVCR-HOTGVXAUSA-N 0 1 288.435 2.513 20 30 CFEDMN Cn1ccc(-c2cc(/C=N/O)cc(C(F)(F)F)c2)cc1=O ZINC001240991202 780577657 /nfs/dbraw/zinc/57/76/57/780577657.db2.gz CNVFWZFGCOORCZ-QGMBQPNBSA-N 0 1 296.248 2.879 20 30 CFEDMN C=CCN1CC[C@@H](N(C)C(=O)c2ccc(C(C)C)nc2)C1 ZINC001033148158 780581830 /nfs/dbraw/zinc/58/18/30/780581830.db2.gz BSYMDFPEGCFRDU-OAHLLOKOSA-N 0 1 287.407 2.537 20 30 CFEDMN C=C(C)CN1CC[C@H](N(C)C(=O)c2cc(F)ccc2F)C1 ZINC001033149497 780582024 /nfs/dbraw/zinc/58/20/24/780582024.db2.gz LGVOEFQDMMBSED-ZDUSSCGKSA-N 0 1 294.345 2.687 20 30 CFEDMN COc1cccc(F)c1-c1cc2nc[nH]c2c(C#N)n1 ZINC001241008671 780589257 /nfs/dbraw/zinc/58/92/57/780589257.db2.gz SCKSBTMAXHSIHN-UHFFFAOYSA-N 0 1 268.251 2.644 20 30 CFEDMN C=CCN1CC[C@H](N(C)C(=O)[C@@H]2CC[C@@H]3C[C@@H]3CC2)C1 ZINC001033293571 780642537 /nfs/dbraw/zinc/64/25/37/780642537.db2.gz YOHOQBFCMMEXFV-JONQDZQNSA-N 0 1 276.424 2.531 20 30 CFEDMN C=CCN1CC[C@@H](N(C)C(=O)C(C)(C)C2CCC2)C1 ZINC001033308186 780647924 /nfs/dbraw/zinc/64/79/24/780647924.db2.gz DTXMFCYERDYMPG-CQSZACIVSA-N 0 1 264.413 2.531 20 30 CFEDMN C=CCN1CC[C@H](N(C)C(=O)c2ccc(CCC)cc2)C1 ZINC001033370276 780668214 /nfs/dbraw/zinc/66/82/14/780668214.db2.gz OAXDDEQPYCMLNJ-KRWDZBQOSA-N 0 1 286.419 2.971 20 30 CFEDMN C=CCN1CC[C@H](N(C)C(=O)C2CCC(F)(F)CC2)C1 ZINC001033449198 780685252 /nfs/dbraw/zinc/68/52/52/780685252.db2.gz LIOMEJUFOMFFLY-ZDUSSCGKSA-N 0 1 286.366 2.531 20 30 CFEDMN C=CCN1CC[C@@H](N(C)C(=O)c2cc(F)cc(Cl)c2)C1 ZINC001033446814 780685434 /nfs/dbraw/zinc/68/54/34/780685434.db2.gz NFSLAQXMOQGRGU-CQSZACIVSA-N 0 1 296.773 2.811 20 30 CFEDMN C=C(C)CN1CC[C@H](N(C)C(=O)c2cnoc2C(C)C)C1 ZINC001033553004 780712668 /nfs/dbraw/zinc/71/26/68/780712668.db2.gz FVHDSBINYSDFMZ-ZDUSSCGKSA-N 0 1 291.395 2.520 20 30 CFEDMN C=CCN1CC[C@H](N(C)C(=O)c2cc3sccc3[nH]2)C1 ZINC001033552493 780713559 /nfs/dbraw/zinc/71/35/59/780713559.db2.gz DHDXUIXZGZOYCS-NSHDSACASA-N 0 1 289.404 2.562 20 30 CFEDMN C=CCN1CC[C@@H](N(C)C(=O)[C@@H](C)c2ccccc2)C1 ZINC001033592495 780722103 /nfs/dbraw/zinc/72/21/03/780722103.db2.gz HTSZAZZTYAIMGX-GOEBONIOSA-N 0 1 272.392 2.509 20 30 CFEDMN C=CCN1CC[C@H](N(C)C(=O)c2ccc3c(c2)CCC=C3)C1 ZINC001033585604 780723187 /nfs/dbraw/zinc/72/31/87/780723187.db2.gz KWQPYHWCDRQIBI-SFHVURJKSA-N 0 1 296.414 2.978 20 30 CFEDMN C=CCN1CC[C@H](N(C)C(=O)c2cccc(Cl)c2)C1 ZINC001033607499 780728133 /nfs/dbraw/zinc/72/81/33/780728133.db2.gz XSWYUEMPDYLVAX-AWEZNQCLSA-N 0 1 278.783 2.672 20 30 CFEDMN C=CCN1CC[C@H](N(C)C(=O)c2ccc(C)c(C)c2)C1 ZINC001033633516 780735797 /nfs/dbraw/zinc/73/57/97/780735797.db2.gz BEEUOTCRGLEQPW-INIZCTEOSA-N 0 1 272.392 2.636 20 30 CFEDMN C=CCN1CC[C@H](N(C)C(=O)c2ccc(C3CC3)cc2)C1 ZINC001033672634 780745299 /nfs/dbraw/zinc/74/52/99/780745299.db2.gz RIMCUJQNRNKFBX-KRWDZBQOSA-N 0 1 284.403 2.896 20 30 CFEDMN C=CCN1CC[C@H](N(C)C(=O)[C@@H](C)c2ccccc2C)C1 ZINC001033682344 780749135 /nfs/dbraw/zinc/74/91/35/780749135.db2.gz BTTMLMSQUQAOAO-HOTGVXAUSA-N 0 1 286.419 2.817 20 30 CFEDMN C=CCN1CC[C@@H](N(C)C(=O)[C@@H]2CCCC(C)(C)C2)C1 ZINC001033694144 780750382 /nfs/dbraw/zinc/75/03/82/780750382.db2.gz JCLMRVKPSZHJLB-HUUCEWRRSA-N 0 1 278.440 2.922 20 30 CFEDMN C=CCN1CC[C@@H](N(C)C(=O)[C@@H]2CC3CCC2CC3)C1 ZINC001033689569 780754924 /nfs/dbraw/zinc/75/49/24/780754924.db2.gz CPLUIIHUYZYUAG-QDIHITRGSA-N 0 1 276.424 2.531 20 30 CFEDMN CC#CCN1CC[C@H](N(C)C(=O)[C@@H]2CCCCC2(C)C)C1 ZINC001033698785 780756206 /nfs/dbraw/zinc/75/62/06/780756206.db2.gz YHRAKNWLKGSVFK-HOTGVXAUSA-N 0 1 290.451 2.759 20 30 CFEDMN CC#CCN1CC[C@@H](N(C)C(=O)[C@@H]2CCCCC2(C)C)C1 ZINC001033698784 780756445 /nfs/dbraw/zinc/75/64/45/780756445.db2.gz YHRAKNWLKGSVFK-CVEARBPZSA-N 0 1 290.451 2.759 20 30 CFEDMN C=CCN1CC[C@@H](N(CC)C(=O)c2cc(C)c(C)o2)C1 ZINC001033793551 780791883 /nfs/dbraw/zinc/79/18/83/780791883.db2.gz WWJROPXDPPHCPR-CQSZACIVSA-N 0 1 276.380 2.619 20 30 CFEDMN C[S@](=O)c1ccccc1-c1nccc2[nH]cc(C#N)c21 ZINC001241339219 780794473 /nfs/dbraw/zinc/79/44/73/780794473.db2.gz YVINTQNFCBBKNE-FQEVSTJZSA-N 0 1 281.340 2.839 20 30 CFEDMN C=C(C)CN1CC[C@@H](N(CC)C(=O)c2ccc(CC)o2)C1 ZINC001033876169 780812265 /nfs/dbraw/zinc/81/22/65/780812265.db2.gz PKAYBNDMPFIECM-CQSZACIVSA-N 0 1 290.407 2.955 20 30 CFEDMN CC#CCN1CC[C@@H](N(CC)C(=O)[C@@H]2CCCC23CC3)C1 ZINC001033874374 780815597 /nfs/dbraw/zinc/81/55/97/780815597.db2.gz XHJCNPYZFZHSDU-CVEARBPZSA-N 0 1 288.435 2.513 20 30 CFEDMN C=CCN1CC[C@H](N(CC)C(=O)c2ccc(CC)o2)C1 ZINC001033873563 780816624 /nfs/dbraw/zinc/81/66/24/780816624.db2.gz QJOLUZRGVBIDFD-ZDUSSCGKSA-N 0 1 276.380 2.564 20 30 CFEDMN C=CCN1CC[C@H](N(CC)C(=O)c2cc(C)ccc2F)C1 ZINC001033976943 780844965 /nfs/dbraw/zinc/84/49/65/780844965.db2.gz VWZHWNVMHNXPFJ-AWEZNQCLSA-N 0 1 290.382 2.857 20 30 CFEDMN C=CCN1CC[C@H](N(CC)C(=O)c2cc(C(C)C)no2)C1 ZINC001033975240 780845200 /nfs/dbraw/zinc/84/52/00/780845200.db2.gz DHQHSGJEJKPGNB-ZDUSSCGKSA-N 0 1 291.395 2.520 20 30 CFEDMN C=CCN1CC[C@@H](N(CC)C(=O)C2CCC=CCC2)C1 ZINC001034041516 780864632 /nfs/dbraw/zinc/86/46/32/780864632.db2.gz GJWYUTMILJHDRG-MRXNPFEDSA-N 0 1 276.424 2.842 20 30 CFEDMN C#CC[N@@H+]1CC[C@H](N(CC)C(=O)C2CCC(C)(C)CC2)C1 ZINC001034051741 780865091 /nfs/dbraw/zinc/86/50/91/780865091.db2.gz ZWPYNPNAGPTTNM-INIZCTEOSA-N 0 1 290.451 2.759 20 30 CFEDMN C#CCN1CC[C@H](N(CC)C(=O)C2CCC(C)(C)CC2)C1 ZINC001034051741 780865099 /nfs/dbraw/zinc/86/50/99/780865099.db2.gz ZWPYNPNAGPTTNM-INIZCTEOSA-N 0 1 290.451 2.759 20 30 CFEDMN C#C[C@H](NCc1cccc2c1OCCO2)C(C)(C)C ZINC000702282869 780909472 /nfs/dbraw/zinc/90/94/72/780909472.db2.gz WQSFHNFRPRDTTB-AWEZNQCLSA-N 0 1 259.349 2.595 20 30 CFEDMN C#CCN1CCCC[C@@H](NC(=O)c2ccccc2CCC)C1 ZINC001034300040 780940391 /nfs/dbraw/zinc/94/03/91/780940391.db2.gz KBEKJXZUOFHXAV-QGZVFWFLSA-N 0 1 298.430 2.857 20 30 CFEDMN C=CC[N@@H+]1CCCC[C@@H](NC(=O)c2csc(C)c2)C1 ZINC001034449526 780978161 /nfs/dbraw/zinc/97/81/61/780978161.db2.gz VLGYORPSSOUMDP-CQSZACIVSA-N 0 1 278.421 2.827 20 30 CFEDMN C=CCN1CCCC[C@@H](NC(=O)c2csc(C)c2)C1 ZINC001034449526 780978163 /nfs/dbraw/zinc/97/81/63/780978163.db2.gz VLGYORPSSOUMDP-CQSZACIVSA-N 0 1 278.421 2.827 20 30 CFEDMN CC#CCN1CCCC[C@H](NC(=O)[C@H](C)c2ccccc2)C1 ZINC001034495367 780983615 /nfs/dbraw/zinc/98/36/15/780983615.db2.gz VALPEULJAMDBPG-AEFFLSMTSA-N 0 1 298.430 2.784 20 30 CFEDMN C#CCN1CCCC[C@H](NC(=O)c2cc(C)ccc2C)C1 ZINC001034502088 780986570 /nfs/dbraw/zinc/98/65/70/780986570.db2.gz CQEGWSNFZWFNED-INIZCTEOSA-N 0 1 284.403 2.521 20 30 CFEDMN N#Cc1c[nH]c2ccnc(-c3cccc4c[nH]nc43)c12 ZINC001241622993 781025965 /nfs/dbraw/zinc/02/59/65/781025965.db2.gz ZBUIQXCKSAHFMG-UHFFFAOYSA-N 0 1 259.272 2.978 20 30 CFEDMN Cc1[nH]nc2ccc(-c3ncnc4[nH]cc(C#N)c43)cc12 ZINC001241665652 781058177 /nfs/dbraw/zinc/05/81/77/781058177.db2.gz ICKGLIXTGYUEEH-UHFFFAOYSA-N 0 1 274.287 2.681 20 30 CFEDMN CCCCCCCNC(=O)[C@@](C)(N)c1ccccc1 ZINC000705908778 781151676 /nfs/dbraw/zinc/15/16/76/781151676.db2.gz KFDVTCKATWSYAF-INIZCTEOSA-N 0 1 262.397 2.947 20 30 CFEDMN C=CCN1CC2(C1)CCN(C(=O)c1oc(C)cc1C)CC2 ZINC001035681687 781156829 /nfs/dbraw/zinc/15/68/29/781156829.db2.gz MSIXYKJDYGNVIU-UHFFFAOYSA-N 0 1 288.391 2.620 20 30 CFEDMN C=CCN1CC2(C1)CCN(C(=O)C1CC(C)(C)C1)CC2 ZINC001035699678 781159881 /nfs/dbraw/zinc/15/98/81/781159881.db2.gz BNYXMNVEGFAHAG-UHFFFAOYSA-N 0 1 276.424 2.533 20 30 CFEDMN C=CCN1CC2(C1)CCN(C(=O)C(C)(C)C(=C)C)CC2 ZINC001035761872 781164473 /nfs/dbraw/zinc/16/44/73/781164473.db2.gz FFBQOGULMBCEOO-UHFFFAOYSA-N 0 1 276.424 2.699 20 30 CFEDMN COCOc1ccc(-c2cc3[nH]cnc3c(C#N)n2)cc1F ZINC001242111994 781285229 /nfs/dbraw/zinc/28/52/29/781285229.db2.gz ZQPXOIGUAMCDSJ-UHFFFAOYSA-N 0 1 298.277 2.618 20 30 CFEDMN C=C(Cl)CN1CC[C@@H]2CN(C(=O)C3=CCCC3)CC[C@@H]21 ZINC001036684655 781416026 /nfs/dbraw/zinc/41/60/26/781416026.db2.gz LKSGWRLCVBLBJW-CABCVRRESA-N 0 1 294.826 2.772 20 30 CFEDMN N#Cc1cccc(CN2CCC[C@H](CF)C2)c1F ZINC000711422911 781431131 /nfs/dbraw/zinc/43/11/31/781431131.db2.gz UMHZVWCOCDUVMQ-LLVKDONJSA-N 0 1 250.292 2.879 20 30 CFEDMN N#Cc1ccc(F)c(CN2CCC[C@@H](CF)C2)c1 ZINC000711423746 781431352 /nfs/dbraw/zinc/43/13/52/781431352.db2.gz WUZGROZYLXJLQA-LBPRGKRZSA-N 0 1 250.292 2.879 20 30 CFEDMN COC(=O)c1nc2ccc(-c3cc(C#N)ccc3C)[nH]c-2n1 ZINC001242542285 781581872 /nfs/dbraw/zinc/58/18/72/781581872.db2.gz CEMUZDFZJSMPHL-UHFFFAOYSA-N 0 1 292.298 2.592 20 30 CFEDMN N#Cc1cc(-c2cc(N3CCCC3)cc[nH+]2)ccc1[O-] ZINC001242563068 781601725 /nfs/dbraw/zinc/60/17/25/781601725.db2.gz ANRYRVLABHCQFJ-UHFFFAOYSA-N 0 1 265.316 2.926 20 30 CFEDMN CC#CCN1C[C@@H](C)[C@H](NC(=O)c2ccccc2CCC)C1 ZINC001080096071 781636090 /nfs/dbraw/zinc/63/60/90/781636090.db2.gz QLOXRFZNLPKBOP-CRAIPNDOSA-N 0 1 298.430 2.713 20 30 CFEDMN C=CCN1C[C@@H](C)[C@H](NC(=O)c2c(C)cccc2Cl)C1 ZINC001080385677 781653737 /nfs/dbraw/zinc/65/37/37/781653737.db2.gz FUSMOWNFSCPJIV-TZMCWYRMSA-N 0 1 292.810 2.885 20 30 CFEDMN C=CCN1C[C@@H](C)[C@H](NC(=O)c2ccc(C3CC3)nc2C)C1 ZINC001080469511 781661739 /nfs/dbraw/zinc/66/17/39/781661739.db2.gz MFERTCRGZSAHCH-SJKOYZFVSA-N 0 1 299.418 2.504 20 30 CFEDMN CC#CCN1C[C@@H](C)[C@H](NC(=O)c2ccc(C(C)C)cc2)C1 ZINC001080835998 781680264 /nfs/dbraw/zinc/68/02/64/781680264.db2.gz SHQXBVJXACGMNV-CRAIPNDOSA-N 0 1 298.430 2.883 20 30 CFEDMN C=CCN1C[C@@H](C)[C@H](NC(=O)C2(C3CCCCC3)CC2)C1 ZINC001080855090 781680925 /nfs/dbraw/zinc/68/09/25/781680925.db2.gz UYFUZHYNPKBZBK-GDBMZVCRSA-N 0 1 290.451 2.969 20 30 CFEDMN CC#CCN1C[C@@H](C)[C@H](NC(=O)[C@@]2(C)CC=C(C)CC2)C1 ZINC001080984179 781689906 /nfs/dbraw/zinc/68/99/06/781689906.db2.gz KOTCYWHXMNKRAZ-NUJGCVRESA-N 0 1 288.435 2.583 20 30 CFEDMN C=C(C)CN1C[C@@H](C)[C@H](NC(=O)c2sccc2CC)C1 ZINC001080989369 781692135 /nfs/dbraw/zinc/69/21/35/781692135.db2.gz ISVOZNOTAFVRBD-TZMCWYRMSA-N 0 1 292.448 2.937 20 30 CFEDMN C=C[C@H](C)[C@H](C)C(=O)NCCCNC/C(Cl)=C\Cl ZINC001164222966 781696455 /nfs/dbraw/zinc/69/64/55/781696455.db2.gz OYVLKAZALMBPRJ-BEICOJSVSA-N 0 1 293.238 2.860 20 30 CFEDMN C=C(Cl)CN[C@@H]1CN(C(=O)[C@H]2CC=CCC2)C[C@H]1C ZINC001082421361 781727270 /nfs/dbraw/zinc/72/72/70/781727270.db2.gz XMFRKDZVVNOBPF-KWCYVHTRSA-N 0 1 282.815 2.532 20 30 CFEDMN C=C(C)CN1CC[C@@H]2CN(C(=O)c3cccc(C)c3)[C@@H]2C1 ZINC001084167518 781766601 /nfs/dbraw/zinc/76/66/01/781766601.db2.gz VKFINCUQSYDDNQ-IAGOWNOFSA-N 0 1 284.403 2.717 20 30 CFEDMN C=C(C)CN1CC[C@@H]2CN(C(=O)c3ccc(F)cc3)[C@@H]2C1 ZINC001084152761 781773510 /nfs/dbraw/zinc/77/35/10/781773510.db2.gz AQSPTYNUHQPQHX-GDBMZVCRSA-N 0 1 288.366 2.548 20 30 CFEDMN C=CCN1CC[C@@H]2CN(C(=O)CC3CC(C)(C)C3)[C@@H]2C1 ZINC001084601504 781806703 /nfs/dbraw/zinc/80/67/03/781806703.db2.gz FHJDKNIEIMQBOM-HUUCEWRRSA-N 0 1 276.424 2.531 20 30 CFEDMN C=CCN1CC[C@@H]2CN(C(=O)C3(C(F)F)CCCC3)[C@@H]2C1 ZINC001084604730 781807867 /nfs/dbraw/zinc/80/78/67/781807867.db2.gz PUZJJDOWUPQBJU-CHWSQXEVSA-N 0 1 298.377 2.531 20 30 CFEDMN C=CC[N@@H+]1CC[C@@H]2CN(C(=O)c3ccc(C(C)C)cn3)[C@@H]2C1 ZINC001084661536 781818296 /nfs/dbraw/zinc/81/82/96/781818296.db2.gz YGYBFHNYLFFEMZ-NVXWUHKLSA-N 0 1 299.418 2.537 20 30 CFEDMN C=CCN1CC[C@@H]2CN(C(=O)c3ccc(C(C)C)cn3)[C@@H]2C1 ZINC001084661536 781818299 /nfs/dbraw/zinc/81/82/99/781818299.db2.gz YGYBFHNYLFFEMZ-NVXWUHKLSA-N 0 1 299.418 2.537 20 30 CFEDMN C=CCN1CC[C@@H]2CN(C(=O)[C@@H](C)CC3CCCC3)[C@@H]2C1 ZINC001084699140 781822390 /nfs/dbraw/zinc/82/23/90/781822390.db2.gz YATHKQKXYOWRAX-USXIJHARSA-N 0 1 290.451 2.922 20 30 CFEDMN CC#CCN1CC(C)(C)CC[C@H]1CNC(=O)[C@H](C)CC ZINC001098915498 781832755 /nfs/dbraw/zinc/83/27/55/781832755.db2.gz JNBJCUZRSSRXOJ-CABCVRRESA-N 0 1 278.440 2.663 20 30 CFEDMN C=C(C)CN1CC[C@@H]2CN(C(=O)c3ccc(CC)cc3)[C@@H]2C1 ZINC001084807850 781839280 /nfs/dbraw/zinc/83/92/80/781839280.db2.gz LWWQYEQNVRSWJI-QZTJIDSGSA-N 0 1 298.430 2.971 20 30 CFEDMN C#CCN1CC(C)(C)CC[C@H]1CNC(=O)C(CC)CC ZINC001098921219 781843415 /nfs/dbraw/zinc/84/34/15/781843415.db2.gz GVILEAPOHCHYHZ-HNNXBMFYSA-N 0 1 278.440 2.663 20 30 CFEDMN C=CCC[N@@H+]1CC[C@@H]1CN(C)C(=O)C(CC)CC ZINC001230834953 781874863 /nfs/dbraw/zinc/87/48/63/781874863.db2.gz PVTCPTTUWFEDQJ-CQSZACIVSA-N 0 1 252.402 2.531 20 30 CFEDMN C=CCN1C[C@@]2(CC1=O)CCCCN2Cc1ccc(C)nc1 ZINC001273259103 781894942 /nfs/dbraw/zinc/89/49/42/781894942.db2.gz LKZUWDZXXFPKMF-SFHVURJKSA-N 0 1 299.418 2.533 20 30 CFEDMN N#Cc1ccc(CCSc2nc(C3CC3)n[nH]2)cc1 ZINC000594884058 349492741 /nfs/dbraw/zinc/49/27/41/349492741.db2.gz XURRKJKJICHGQJ-UHFFFAOYSA-N 0 1 270.361 2.889 20 30 CFEDMN N#Cc1ccc(CCSc2n[nH]c(C3CC3)n2)cc1 ZINC000594884058 349492745 /nfs/dbraw/zinc/49/27/45/349492745.db2.gz XURRKJKJICHGQJ-UHFFFAOYSA-N 0 1 270.361 2.889 20 30 CFEDMN N#CC1(Cc2nc(C3(N)CCCC3)no2)CCCCC1 ZINC000594683988 349474012 /nfs/dbraw/zinc/47/40/12/349474012.db2.gz OVOSYHQQRHNSJW-UHFFFAOYSA-N 0 1 274.368 2.814 20 30 CFEDMN Cc1c(CNCc2ccc(C3(C#N)CC3)cc2)cnn1C ZINC000594940315 349520005 /nfs/dbraw/zinc/52/00/05/349520005.db2.gz ZRRGQNVPVURQGT-UHFFFAOYSA-N 0 1 280.375 2.574 20 30 CFEDMN N#Cc1cccc(C2(NCc3cncs3)CCOCC2)c1 ZINC000594985095 349539189 /nfs/dbraw/zinc/53/91/89/349539189.db2.gz WEPAGLCSIQLENU-UHFFFAOYSA-N 0 1 299.399 2.810 20 30 CFEDMN C[C@@H](N[C@H]1CCCn2nccc21)c1ccc(C#N)cc1 ZINC000595008106 349546111 /nfs/dbraw/zinc/54/61/11/349546111.db2.gz QJMKOKISKMWFHA-DOMZBBRYSA-N 0 1 266.348 2.940 20 30 CFEDMN C[C@@H](O)[C@@H](NCc1ccc(C#N)s1)c1ccccc1 ZINC000595009543 349547208 /nfs/dbraw/zinc/54/72/08/349547208.db2.gz YBCADKLVHVIKDO-IAQYHMDHSA-N 0 1 272.373 2.831 20 30 CFEDMN C=CCCOCCN[C@H](C)c1ccc([N+](=O)[O-])cc1OC ZINC000595033779 349557283 /nfs/dbraw/zinc/55/72/83/349557283.db2.gz CUNKLWZAJOBMAH-GFCCVEGCSA-N 0 1 294.351 2.847 20 30 CFEDMN N#Cc1ccc(CN[C@@H]2CCCn3nccc32)cc1F ZINC000595051782 349565825 /nfs/dbraw/zinc/56/58/25/349565825.db2.gz ODBZEVJBWMWCLS-CQSZACIVSA-N 0 1 270.311 2.519 20 30 CFEDMN C=CCCSCCN[C@@H]1C[C@H](C)n2ccnc21 ZINC000595060974 349571193 /nfs/dbraw/zinc/57/11/93/349571193.db2.gz WWBYGIXNZPPADG-NWDGAFQWSA-N 0 1 251.399 2.788 20 30 CFEDMN C=CCCSCCN[C@H](C)c1nccn1CC ZINC000595060522 349571504 /nfs/dbraw/zinc/57/15/04/349571504.db2.gz UUQBPSXEOOKDSA-GFCCVEGCSA-N 0 1 253.415 2.863 20 30 CFEDMN C=CCN(Cc1cccc(C#N)c1)[C@@H](C)c1n[nH]c(CC)n1 ZINC000595297632 349596227 /nfs/dbraw/zinc/59/62/27/349596227.db2.gz XNRVZHLSOJVXTO-ZDUSSCGKSA-N 0 1 295.390 2.988 20 30 CFEDMN CCC[C@@H]1CN(CCc2ccc(C#N)cc2)CCO1 ZINC000595394112 349615967 /nfs/dbraw/zinc/61/59/67/349615967.db2.gz DHOXVCFQGZVBDU-MRXNPFEDSA-N 0 1 258.365 2.602 20 30 CFEDMN C=CCC(F)(F)C(=O)Nc1nc(-c2ccc(C)o2)n[nH]1 ZINC000294972028 199276616 /nfs/dbraw/zinc/27/66/16/199276616.db2.gz NZDJAJHMZZCQSN-UHFFFAOYSA-N 0 1 282.250 2.523 20 30 CFEDMN Cc1nc([C@@H](Nc2ccc(C#N)cn2)c2ccccc2)n[nH]1 ZINC000068907987 346875509 /nfs/dbraw/zinc/87/55/09/346875509.db2.gz NWUFYBNEAFPQMQ-HNNXBMFYSA-N 0 1 290.330 2.581 20 30 CFEDMN N#Cc1cc(CN2CCC[C@@H](c3ccccn3)C2)ccn1 ZINC000595503258 349644761 /nfs/dbraw/zinc/64/47/61/349644761.db2.gz ZGSOUCGRAJQIIP-OAHLLOKOSA-N 0 1 278.359 2.728 20 30 CFEDMN N#Cc1ccc(CCN2CCOC[C@@H]2CC2CCC2)cc1 ZINC000595504664 349644917 /nfs/dbraw/zinc/64/49/17/349644917.db2.gz GEUXAVROFGPGRL-SFHVURJKSA-N 0 1 284.403 2.992 20 30 CFEDMN C=CCCCCN(C1CC1)C1(C(=O)OC)CCC1 ZINC000595541620 349654716 /nfs/dbraw/zinc/65/47/16/349654716.db2.gz HRLKAWHKANEKDT-UHFFFAOYSA-N 0 1 251.370 2.903 20 30 CFEDMN CC(C)N(C(=O)[C@H](C)N1CCC[C@H](CC#N)C1)C(C)C ZINC000595610981 349674617 /nfs/dbraw/zinc/67/46/17/349674617.db2.gz FHYQRLFAMCHBTQ-LSDHHAIUSA-N 0 1 279.428 2.646 20 30 CFEDMN N#CC[C@H]1CCCN(CCOc2ccccc2C#N)C1 ZINC000595614326 349677825 /nfs/dbraw/zinc/67/78/25/349677825.db2.gz KGUJHVOLGHJCDZ-CQSZACIVSA-N 0 1 269.348 2.563 20 30 CFEDMN CN(CC[N@H+]1CCC[C@H](CC#N)C1)c1ccccc1 ZINC000595618159 349678284 /nfs/dbraw/zinc/67/82/84/349678284.db2.gz XWDOCXHVLLKCQM-OAHLLOKOSA-N 0 1 257.381 2.748 20 30 CFEDMN CCN(CCC[N@H+]1CCC[C@H](CC#N)C1)CC(F)(F)F ZINC000595619516 349678539 /nfs/dbraw/zinc/67/85/39/349678539.db2.gz CELYQONDUHZBGE-CYBMUJFWSA-N 0 1 291.361 2.886 20 30 CFEDMN C=CC[C@@H]1CCCC[C@@H]1NCc1oncc1C(=O)OC ZINC000595605346 349672877 /nfs/dbraw/zinc/67/28/77/349672877.db2.gz WVAKMXSSDASGRD-YPMHNXCESA-N 0 1 278.352 2.686 20 30 CFEDMN N#Cc1sccc1N1CCN(CCC2CCC2)CC1 ZINC000595639566 349686063 /nfs/dbraw/zinc/68/60/63/349686063.db2.gz YWCYPLLGVXDLPB-UHFFFAOYSA-N 0 1 275.421 2.932 20 30 CFEDMN CC[C@@](C)(C#N)C(=O)Nc1nc2ccc(F)cc2[nH]1 ZINC000336264883 529491945 /nfs/dbraw/zinc/49/19/45/529491945.db2.gz DKECCGQEHUQRFP-ZDUSSCGKSA-N 0 1 260.272 2.580 20 30 CFEDMN C=CC[C@H]1CCCN(Cc2onc(C)c2[N+](=O)[O-])C1 ZINC000595657383 349692215 /nfs/dbraw/zinc/69/22/15/349692215.db2.gz AXSSFBXRHPENSG-NSHDSACASA-N 0 1 265.313 2.679 20 30 CFEDMN C[C@H]1COC2(CCC2)CN1Cc1ccc(CC#N)cc1 ZINC000595682241 349699688 /nfs/dbraw/zinc/69/96/88/349699688.db2.gz PIKPPSPNCYJUAB-AWEZNQCLSA-N 0 1 270.376 2.896 20 30 CFEDMN N#Cc1c(CN2CCC[C@](O)(C3CC3)C2)cn2ccccc12 ZINC000595748562 349722985 /nfs/dbraw/zinc/72/29/85/349722985.db2.gz AEWHITPFUKUPRD-GOSISDBHSA-N 0 1 295.386 2.548 20 30 CFEDMN C[C@@H]1CCCN(Cc2cc(F)ccc2C#N)[C@@H]1CCO ZINC000595701096 349709347 /nfs/dbraw/zinc/70/93/47/349709347.db2.gz PQMGYPYVXXKLDC-MLGOLLRUSA-N 0 1 276.355 2.680 20 30 CFEDMN C=CCN(CC(=O)Nc1ccc(C#N)cc1)C(C)(C)C ZINC000595766055 349726945 /nfs/dbraw/zinc/72/69/45/349726945.db2.gz RBGIPERNMBBJER-UHFFFAOYSA-N 0 1 271.364 2.783 20 30 CFEDMN C[C@@H]1CCN(Cc2ccc(C#N)cc2F)C[C@H](C)O1 ZINC000595781694 349731803 /nfs/dbraw/zinc/73/18/03/349731803.db2.gz FYRVNJYZOXQKTH-NEPJUHHUSA-N 0 1 262.328 2.697 20 30 CFEDMN N#Cc1ccc(CN2CCC([C@H]3CCCCO3)CC2)nc1 ZINC000595785192 349732828 /nfs/dbraw/zinc/73/28/28/349732828.db2.gz WNJIVJGNXAREPY-QGZVFWFLSA-N 0 1 285.391 2.734 20 30 CFEDMN Cc1nc(N2CCCc3[nH]ncc3C2)c(Cl)cc1C#N ZINC000596001315 349774629 /nfs/dbraw/zinc/77/46/29/349774629.db2.gz QYJRSDAWEVTORE-UHFFFAOYSA-N 0 1 287.754 2.591 20 30 CFEDMN C=CCCSCCNC(=O)[C@H](N)c1cccc(Cl)c1 ZINC000595959827 349772002 /nfs/dbraw/zinc/77/20/02/349772002.db2.gz GWRSBNIWEISGBA-CYBMUJFWSA-N 0 1 298.839 2.765 20 30 CFEDMN CC[N@H+]1CC[C@H](N(C)c2nc(C#N)c(Cl)s2)C[C@@H]1C ZINC000596136378 349803975 /nfs/dbraw/zinc/80/39/75/349803975.db2.gz TZCKCGRSAHXFJM-UWVGGRQHSA-N 0 1 298.843 2.977 20 30 CFEDMN C[C@H]1CN(CC(=O)Nc2ccc(C#N)c(Cl)c2)C[C@H]1C ZINC000072870919 346944898 /nfs/dbraw/zinc/94/48/98/346944898.db2.gz WUDWTFFXKPRLAN-PHIMTYICSA-N 0 1 291.782 2.738 20 30 CFEDMN N#Cc1cc(Cl)ccc1NCc1n[nH]c(C2CC2)n1 ZINC000295032166 199311083 /nfs/dbraw/zinc/31/10/83/199311083.db2.gz VSURAHQVNGBTLK-UHFFFAOYSA-N 0 1 273.727 2.819 20 30 CFEDMN CN1CC[C@@H](NCC2(C#N)CC2)[C@@H]1c1ccc(F)c(F)c1 ZINC000352115494 529795763 /nfs/dbraw/zinc/79/57/63/529795763.db2.gz LRLKJYRXZITGEU-CABCVRRESA-N 0 1 291.345 2.603 20 30 CFEDMN N#Cc1nc(NCCOCC2CCCC2)sc1Cl ZINC000596262806 349846166 /nfs/dbraw/zinc/84/61/66/349846166.db2.gz DBPXDDFVCDEFTH-UHFFFAOYSA-N 0 1 285.800 2.709 20 30 CFEDMN CO[C@H]1CCN(Cc2ccccc2C#N)CC1(C)C ZINC000295080224 199334974 /nfs/dbraw/zinc/33/49/74/199334974.db2.gz RWWXPLNGCZYUOD-HNNXBMFYSA-N 0 1 258.365 2.805 20 30 CFEDMN C=CCCCCN1CCN(C(=O)c2ccccc2)CC1 ZINC000573554407 334946450 /nfs/dbraw/zinc/94/64/50/334946450.db2.gz DCRVPDSKYJLVRT-UHFFFAOYSA-N 0 1 272.392 2.801 20 30 CFEDMN CN1CCC[C@@H]1C(=O)N[C@H](C#N)c1ccc(C(C)(C)C)cc1 ZINC000114076083 530056551 /nfs/dbraw/zinc/05/65/51/530056551.db2.gz PXZSQOYOURRHRR-HZPDHXFCSA-N 0 1 299.418 2.759 20 30 CFEDMN CC(C)(C#N)CCN1CCN(c2ccc(Cl)cn2)CC1 ZINC000157824566 534988996 /nfs/dbraw/zinc/98/89/96/534988996.db2.gz LSFRWCSFVJQTAR-UHFFFAOYSA-N 0 1 292.814 2.797 20 30 CFEDMN CCCN(CC(=O)N[C@@](C)(C#N)C1CC1)Cc1ccccc1 ZINC000011203133 346229271 /nfs/dbraw/zinc/22/92/71/346229271.db2.gz IDUCGGNTYAREKD-SFHVURJKSA-N 0 1 299.418 2.707 20 30 CFEDMN CCCc1cc(C(=O)N(C)Cc2ccc(C#N)cc2)n[nH]1 ZINC000025118921 346258112 /nfs/dbraw/zinc/25/81/12/346258112.db2.gz GSBDBOINJADVHZ-UHFFFAOYSA-N 0 1 282.347 2.506 20 30 CFEDMN CCN(C[C@@H](C)C#N)C(=O)c1cc(-c2ccccc2)[nH]n1 ZINC000047534151 346453553 /nfs/dbraw/zinc/45/35/53/346453553.db2.gz XZCBIKSLKKVENM-LBPRGKRZSA-N 0 1 282.347 2.698 20 30 CFEDMN CCN(C(=O)c1cc(C)[nH]n1)[C@H](C)c1ccc(C#N)cc1 ZINC000056222132 346604714 /nfs/dbraw/zinc/60/47/14/346604714.db2.gz BHWICIOTFFCNNL-GFCCVEGCSA-N 0 1 282.347 2.813 20 30 CFEDMN CCN(C(=O)c1cc(C)[nH]n1)[C@@H](C)c1ccc(C#N)cc1 ZINC000056222131 346605044 /nfs/dbraw/zinc/60/50/44/346605044.db2.gz BHWICIOTFFCNNL-LBPRGKRZSA-N 0 1 282.347 2.813 20 30 CFEDMN C=CCN1CCCN(C(=O)c2cccc(Cl)c2)CC1 ZINC000064481715 346721606 /nfs/dbraw/zinc/72/16/06/346721606.db2.gz WJFRFACQTJAVCS-UHFFFAOYSA-N 0 1 278.783 2.674 20 30 CFEDMN C=C(C)CN(CC)CC(=O)NCCc1ccccc1C ZINC000066863745 346781985 /nfs/dbraw/zinc/78/19/85/346781985.db2.gz LNRQARNULQIYAN-UHFFFAOYSA-N 0 1 274.408 2.552 20 30 CFEDMN CC[C@@H](O)CN1CCC[C@H]1[C@@H](C#N)c1ccccc1 ZINC000076152500 347125885 /nfs/dbraw/zinc/12/58/85/347125885.db2.gz BEGOSZGAZVWFRQ-PMPSAXMXSA-N 0 1 258.365 2.529 20 30 CFEDMN CC(C)NC(=O)CCN1CCC[C@H]1[C@@H](C#N)c1ccccc1 ZINC000076153822 347127001 /nfs/dbraw/zinc/12/70/01/347127001.db2.gz VRECERRCBDUNSQ-IRXDYDNUSA-N 0 1 299.418 2.673 20 30 CFEDMN COCC#CCN1CCS[C@H](C)[C@H]1c1ccccc1 ZINC000677133147 539555177 /nfs/dbraw/zinc/55/51/77/539555177.db2.gz JTJFJTBVBHJEOT-ZBFHGGJFSA-N 0 1 275.417 2.815 20 30 CFEDMN Cc1ccc(/C=C/CC(=O)NC2(C#N)CCN(C)CC2)cc1 ZINC000084760427 347473395 /nfs/dbraw/zinc/47/33/95/347473395.db2.gz RHWYOIRVJWENNX-ONEGZZNKSA-N 0 1 297.402 2.503 20 30 CFEDMN N#Cc1ccc([C@@H](O)CN2CCc3cc(F)ccc3C2)cc1 ZINC000091896386 347602234 /nfs/dbraw/zinc/60/22/34/347602234.db2.gz DNENTZQEWSPHGQ-SFHVURJKSA-N 0 1 296.345 2.789 20 30 CFEDMN C[C@H]([C@@H]1Cc2ccccc2O1)N(C)Cc1ccc(C#N)o1 ZINC000092063814 347607505 /nfs/dbraw/zinc/60/75/05/347607505.db2.gz UOSJULYSSWSLRN-PXAZEXFGSA-N 0 1 282.343 2.975 20 30 CFEDMN C=C(C)CN(CC)C(=O)COc1cc(C)nc(C)c1 ZINC000128159888 347847931 /nfs/dbraw/zinc/84/79/31/347847931.db2.gz AJIOHTYREPKXPH-UHFFFAOYSA-N 0 1 262.353 2.502 20 30 CFEDMN COc1ccc(C#N)cc1CN1C[C@H](C)S[C@@H](C)C1 ZINC000130470684 347871179 /nfs/dbraw/zinc/87/11/79/347871179.db2.gz JXZODQLUBVFELU-RYUDHWBXSA-N 0 1 276.405 2.893 20 30 CFEDMN CCO[C@H]1CCCN(Cc2cc(C#N)ccc2OC)C1 ZINC000130434925 347871279 /nfs/dbraw/zinc/87/12/79/347871279.db2.gz ZJOYDBNBNZKKBU-HNNXBMFYSA-N 0 1 274.364 2.568 20 30 CFEDMN C[C@@H](NCc1ccc(C#N)s1)c1ccc2[nH]c(=O)[nH]c2c1 ZINC000135692010 347908102 /nfs/dbraw/zinc/90/81/02/347908102.db2.gz VZKWXGJIHZLUHX-SECBINFHSA-N 0 1 298.371 2.640 20 30 CFEDMN C=C(C)CN(C)Cc1ccc(OC)c([N+](=O)[O-])c1 ZINC000171040930 348067987 /nfs/dbraw/zinc/06/79/87/348067987.db2.gz LJESWTJWFWLWFQ-UHFFFAOYSA-N 0 1 250.298 2.611 20 30 CFEDMN Cc1cc(C#N)ccc1CN(C)Cc1cccnc1 ZINC000165442419 348039062 /nfs/dbraw/zinc/03/90/62/348039062.db2.gz LQVDZQLGFDQOQC-UHFFFAOYSA-N 0 1 251.333 2.894 20 30 CFEDMN CC#CCCCC(=O)NC[C@H](c1cccc(F)c1)N(C)C ZINC000184930270 348128349 /nfs/dbraw/zinc/12/83/49/348128349.db2.gz XZVQWTNWFHTXMZ-MRXNPFEDSA-N 0 1 290.382 2.738 20 30 CFEDMN CC(=Cc1ccc(C)cc1)c1nc(C)c(C#N)c(=O)[nH]1 ZINC000193613278 348142867 /nfs/dbraw/zinc/14/28/67/348142867.db2.gz AHPNVYXUUQYZOT-FLIBITNWSA-N 0 1 265.316 2.819 20 30 CFEDMN C=CCCCCCN(C)C(=O)c1ccc2[nH]nnc2c1 ZINC000128743767 187388225 /nfs/dbraw/zinc/38/82/25/187388225.db2.gz LTDAULURYSMMFU-UHFFFAOYSA-N 0 1 272.352 2.776 20 30 CFEDMN C[C@@](CO)(NCc1ccc(F)c(C#N)c1)c1ccccc1 ZINC000229750087 348203129 /nfs/dbraw/zinc/20/31/29/348203129.db2.gz SGWSSHRCRRGEAQ-KRWDZBQOSA-N 0 1 284.334 2.695 20 30 CFEDMN N#CCCCNCc1cnn(Cc2ccccc2)c1Cl ZINC000284034227 348345372 /nfs/dbraw/zinc/34/53/72/348345372.db2.gz RFIBGAMAKLVRKT-UHFFFAOYSA-N 0 1 288.782 2.978 20 30 CFEDMN C=C[C@@H](Sc1nc2ccc(C)cc2[nH]1)C(=O)OC ZINC000305938466 348383015 /nfs/dbraw/zinc/38/30/15/348383015.db2.gz ATEZCNNBSIBIMH-LLVKDONJSA-N 0 1 262.334 2.691 20 30 CFEDMN CCC[C@H](CC(C)C)C(=O)NC1(C#N)CCN(C)CC1 ZINC000308085558 348402283 /nfs/dbraw/zinc/40/22/83/348402283.db2.gz GSSKQAPHSBZMCZ-CQSZACIVSA-N 0 1 279.428 2.553 20 30 CFEDMN COc1ccc(CN2CCCOC(C)(C)C2)cc1C#N ZINC000313161626 348422038 /nfs/dbraw/zinc/42/20/38/348422038.db2.gz HVZIQDVPPJTORD-UHFFFAOYSA-N 0 1 274.364 2.568 20 30 CFEDMN C=CC1CCN(C(=O)c2cccc3[nH]c(C)nc32)CC1 ZINC000334350565 348446434 /nfs/dbraw/zinc/44/64/34/348446434.db2.gz VTDOGAQRNHAGAU-UHFFFAOYSA-N 0 1 269.348 2.910 20 30 CFEDMN C[C@@](O)(CNC1CC(C#N)(c2ccccc2)C1)C(F)(F)F ZINC000364857447 348510509 /nfs/dbraw/zinc/51/05/09/348510509.db2.gz XRMBHZBMNFNRLV-ROKHWSDSSA-N 0 1 298.308 2.513 20 30 CFEDMN COc1ccc(CN2CCC[C@H](CC#N)C2)cc1OC ZINC000397685381 348563445 /nfs/dbraw/zinc/56/34/45/348563445.db2.gz NBMYDYPKKOLXFC-CYBMUJFWSA-N 0 1 274.364 2.829 20 30 CFEDMN C=CCC1(C(=O)N[C@H](C)c2n[nH]c(CC)n2)CCCC1 ZINC000450297152 348620608 /nfs/dbraw/zinc/62/06/08/348620608.db2.gz IAXZQWDSXSYSDJ-LLVKDONJSA-N 0 1 276.384 2.681 20 30 CFEDMN C=C(Cl)CN1C[C@H](CNC(=O)OC(C)(C)C)C[C@H]1C ZINC000493805472 348636668 /nfs/dbraw/zinc/63/66/68/348636668.db2.gz KCAIYZMNSJHZBF-NEPJUHHUSA-N 0 1 288.819 2.974 20 30 CFEDMN CN(C)[C@@H](CNC(=O)CCCCCC#N)c1cccs1 ZINC000588147782 348773201 /nfs/dbraw/zinc/77/32/01/348773201.db2.gz OWMDZOGNEWVDOF-ZDUSSCGKSA-N 0 1 293.436 2.941 20 30 CFEDMN Cc1cccc2nc(CNC(=O)CCCCCC#N)[nH]c21 ZINC000588162935 348775965 /nfs/dbraw/zinc/77/59/65/348775965.db2.gz TZCIRNMEFPAIBM-UHFFFAOYSA-N 0 1 284.363 2.962 20 30 CFEDMN N#CCCCCCC(=O)Nc1cnn(-c2ccncc2)c1 ZINC000588341431 348784243 /nfs/dbraw/zinc/78/42/43/348784243.db2.gz OHIGSKGSDGQBID-UHFFFAOYSA-N 0 1 283.335 2.680 20 30 CFEDMN CN(C)Cc1ccnc(NC(=O)CCCCCC#N)c1 ZINC000588632478 348788809 /nfs/dbraw/zinc/78/88/09/348788809.db2.gz SZIFJIHBUTYLLA-UHFFFAOYSA-N 0 1 274.368 2.556 20 30 CFEDMN C[C@@H](NCc1ccc(C#N)c(Cl)c1)c1cn[nH]c1 ZINC000585726497 348740553 /nfs/dbraw/zinc/74/05/53/348740553.db2.gz KSIFVWCSEWWRKU-SECBINFHSA-N 0 1 260.728 2.786 20 30 CFEDMN C=CCN(C(=O)CN1CC[C@H](C)C1)c1ccccc1 ZINC000585754996 348743909 /nfs/dbraw/zinc/74/39/09/348743909.db2.gz JUAKHPDHFXWVDT-AWEZNQCLSA-N 0 1 258.365 2.547 20 30 CFEDMN N#Cc1cc(CN2CCC=C(c3ccco3)C2)ccn1 ZINC000586773559 348750442 /nfs/dbraw/zinc/75/04/42/348750442.db2.gz WZEFMRASQACFER-UHFFFAOYSA-N 0 1 265.316 2.836 20 30 CFEDMN CCN1CCN(c2c(C#N)cnc3ccc(C)cc32)C[C@H]1C ZINC000589864910 348861721 /nfs/dbraw/zinc/86/17/21/348861721.db2.gz KDILOCWBTSWXMM-CQSZACIVSA-N 0 1 294.402 2.945 20 30 CFEDMN Cc1nnsc1CN[C@@H]1CCCc2cc(C#N)ccc21 ZINC000589949289 348864776 /nfs/dbraw/zinc/86/47/76/348864776.db2.gz VKAMIXOBDIMYTO-CQSZACIVSA-N 0 1 284.388 2.885 20 30 CFEDMN C[C@H](c1ccccc1)[C@@H](CO)NCc1cccc(F)c1C#N ZINC000589990745 348868130 /nfs/dbraw/zinc/86/81/30/348868130.db2.gz ULGVNEVQOQCLHO-FZKQIMNGSA-N 0 1 298.361 2.952 20 30 CFEDMN CC(C)[C@](C)(C#N)NC(=O)[C@H](C)N1CCC(C2CC2)CC1 ZINC000590008106 348868997 /nfs/dbraw/zinc/86/89/97/348868997.db2.gz DNIFEBKRHHVTNO-GUYCJALGSA-N 0 1 291.439 2.551 20 30 CFEDMN C[C@@H]1c2ccc(F)cc2CCN1CCOCCC#N ZINC000590161276 348880660 /nfs/dbraw/zinc/88/06/60/348880660.db2.gz ZMSYCYIVHABDEA-GFCCVEGCSA-N 0 1 262.328 2.675 20 30 CFEDMN CO[C@]1(C(F)(F)F)CCCN([C@@H]2CC[C@@H](C#N)C2)C1 ZINC000590175421 348882971 /nfs/dbraw/zinc/88/29/71/348882971.db2.gz OOLJRPOBUSEQRS-IJLUTSLNSA-N 0 1 276.302 2.722 20 30 CFEDMN CC(C)c1nc(CN[C@H]2CCCc3cc(C#N)ccc32)n[nH]1 ZINC000590779104 348947931 /nfs/dbraw/zinc/94/79/31/348947931.db2.gz QXWGEGPMEZUDAI-HNNXBMFYSA-N 0 1 295.390 2.967 20 30 CFEDMN CCc1nc(CNc2nc(C(C)(C)C)ccc2C#N)n[nH]1 ZINC000590703734 348931550 /nfs/dbraw/zinc/93/15/50/348931550.db2.gz ZHNMGESWJHPMPE-UHFFFAOYSA-N 0 1 284.367 2.543 20 30 CFEDMN CN(C)c1ccnc(NC(=O)[C@@]2(C#N)CC23CCCC3)c1 ZINC000590704821 348931894 /nfs/dbraw/zinc/93/18/94/348931894.db2.gz SREQWTBNPNAOCS-INIZCTEOSA-N 0 1 284.363 2.560 20 30 CFEDMN C[C@@H](CCC#N)N1CCC([C@](C)(O)C(F)(F)F)CC1 ZINC000591028197 348980066 /nfs/dbraw/zinc/98/00/66/348980066.db2.gz ASWDFTSTGWAHTF-JQWIXIFHSA-N 0 1 278.318 2.704 20 30 CFEDMN O=C(NC[C@@H]1CCCC[C@@H]1O)c1cc2[nH]cnc2cc1F ZINC000329369209 539697196 /nfs/dbraw/zinc/69/71/96/539697196.db2.gz JJTSGKNTFXPMNF-XPTSAGLGSA-N 0 1 291.326 2.558 20 30 CFEDMN C[C@@H](c1ccc2c(c1)CCC2)N1CCN(CCC#N)CC1 ZINC000590954600 348971234 /nfs/dbraw/zinc/97/12/34/348971234.db2.gz WOGPCDSWJRKYGY-HNNXBMFYSA-N 0 1 283.419 2.768 20 30 CFEDMN N#CCCN[C@H]1CCCN(c2ccccc2Cl)C1 ZINC000591742339 349041064 /nfs/dbraw/zinc/04/10/64/349041064.db2.gz QEZQOLUYZCBKJP-LBPRGKRZSA-N 0 1 263.772 2.812 20 30 CFEDMN N#CC(C(=O)c1cocn1)c1ccc2ccccc2n1 ZINC000591862559 349051728 /nfs/dbraw/zinc/05/17/28/349051728.db2.gz VSZMYTZZARYDPA-NSHDSACASA-N 0 1 263.256 2.713 20 30 CFEDMN N#Cc1cc(CN2CCSC[C@@H]2C2CCC2)ccn1 ZINC000591378669 349014901 /nfs/dbraw/zinc/01/49/01/349014901.db2.gz RQKCRVAUTLKOBE-OAHLLOKOSA-N 0 1 273.405 2.671 20 30 CFEDMN CC(C)C[C@H]1OCCC[C@@H]1NCc1ccncc1C#N ZINC000592107019 349084393 /nfs/dbraw/zinc/08/43/93/349084393.db2.gz CNNAHSLJJKDOAV-JKSUJKDBSA-N 0 1 273.380 2.637 20 30 CFEDMN N#Cc1ccc(/C=C/c2nc([C@H]3CCCN3)no2)cc1 ZINC000592357127 349107544 /nfs/dbraw/zinc/10/75/44/349107544.db2.gz QLSATMNBKDNOEC-SBDDDAINSA-N 0 1 266.304 2.536 20 30 CFEDMN N#Cc1cnccc1CN1CCCc2ccccc2CC1 ZINC000592127190 349087882 /nfs/dbraw/zinc/08/78/82/349087882.db2.gz VRDVPSUJUZWSLO-UHFFFAOYSA-N 0 1 277.371 2.944 20 30 CFEDMN N#CC1(CCN2CCN3CC(F)(F)C[C@H]3C2)CCCCC1 ZINC000592130621 349088771 /nfs/dbraw/zinc/08/87/71/349088771.db2.gz IJQVYZYDNBXHJV-AWEZNQCLSA-N 0 1 297.393 2.876 20 30 CFEDMN C[C@H]1CCC[C@H](C)N1C(=O)CN1CCC(CCC#N)CC1 ZINC000592135865 349088906 /nfs/dbraw/zinc/08/89/06/349088906.db2.gz IXMOJGCMUASUKJ-GJZGRUSLSA-N 0 1 291.439 2.792 20 30 CFEDMN CCN(CC#Cc1ccc(F)cc1)CCSC ZINC000592200621 349098780 /nfs/dbraw/zinc/09/87/80/349098780.db2.gz BGZXVTSOSOTFOS-UHFFFAOYSA-N 0 1 251.370 2.862 20 30 CFEDMN CC(C)[C@H]1N(Cc2cnc3c(C#N)cnn3c2)CC12CCC2 ZINC000592514415 349129636 /nfs/dbraw/zinc/12/96/36/349129636.db2.gz BHNXIIJPFWWROU-OAHLLOKOSA-N 0 1 295.390 2.611 20 30 CFEDMN CCCCc1ccc(C(=O)N=c2[nH]n(C)c(C)c2C#N)cc1 ZINC000592646911 349145611 /nfs/dbraw/zinc/14/56/11/349145611.db2.gz NWHXNBNKUDSRRM-UHFFFAOYSA-N 0 1 296.374 2.617 20 30 CFEDMN C=CCN(CC=C)C(=O)CN1CCCc2sccc2C1 ZINC000592982143 349180365 /nfs/dbraw/zinc/18/03/65/349180365.db2.gz FYXRQQJUGZGKBA-UHFFFAOYSA-N 0 1 290.432 2.697 20 30 CFEDMN CC(C)(C)OC(=O)CN(CCCCC#N)CC1CC1 ZINC000593076019 349202096 /nfs/dbraw/zinc/20/20/96/349202096.db2.gz ZXTGBSGNSUBECB-UHFFFAOYSA-N 0 1 266.385 2.734 20 30 CFEDMN N#Cc1cccc([N+](=O)[O-])c1CNC1(C2CCC2)CC1 ZINC000593083142 349204580 /nfs/dbraw/zinc/20/45/80/349204580.db2.gz VINUGPFMRKCNRX-UHFFFAOYSA-N 0 1 271.320 2.889 20 30 CFEDMN CN(CCn1cccn1)C([O-])=[NH+][C@@H]1CC[C@@H]2CCC[C@H]2C1 ZINC000329798791 539730755 /nfs/dbraw/zinc/73/07/55/539730755.db2.gz GWPXKJYFZWESSS-SOUVJXGZSA-N 0 1 290.411 2.698 20 30 CFEDMN CC[C@H](C#N)C(=O)N1CCN(Cc2ccccc2)CC[C@@H]1C ZINC000593500224 349285983 /nfs/dbraw/zinc/28/59/83/349285983.db2.gz MXENXOHKIAEXBA-DOTOQJQBSA-N 0 1 299.418 2.659 20 30 CFEDMN CC1(C)CC[C@H]1NCc1nnc(-c2ccc(C#N)cc2)o1 ZINC000594006096 349352418 /nfs/dbraw/zinc/35/24/18/349352418.db2.gz SOESQCUUAYCOJE-CYBMUJFWSA-N 0 1 282.347 2.886 20 30 CFEDMN C[C@@H](COCC1CC1)NCc1ccc(C#N)cc1F ZINC000593682540 349309325 /nfs/dbraw/zinc/30/93/25/349309325.db2.gz SRFKQQKSUKFHDY-NSHDSACASA-N 0 1 262.328 2.602 20 30 CFEDMN CCOC(=O)CCN(Cc1cccc(C#N)c1F)C(C)C ZINC000594054625 349365112 /nfs/dbraw/zinc/36/51/12/349365112.db2.gz TXFXJJUHTOLZIJ-UHFFFAOYSA-N 0 1 292.354 2.861 20 30 CFEDMN CCC(C)(C)N1CCN(C(=O)c2ccc(CC#N)cc2)CC1 ZINC000594388803 349413741 /nfs/dbraw/zinc/41/37/41/349413741.db2.gz BFOGSOUYQLMACN-UHFFFAOYSA-N 0 1 299.418 2.699 20 30 CFEDMN CCCOc1ccc(CN2CC[C@@](O)(CC#N)C2)c(C)c1 ZINC000597157437 350041143 /nfs/dbraw/zinc/04/11/43/350041143.db2.gz QIJZKXGTTBWRAO-KRWDZBQOSA-N 0 1 288.391 2.634 20 30 CFEDMN N#CC[C@@H]1CCCN(Cc2cc3cccnc3o2)C1 ZINC000597176764 350044462 /nfs/dbraw/zinc/04/44/62/350044462.db2.gz JPVDBWRCDINWQF-LBPRGKRZSA-N 0 1 255.321 2.953 20 30 CFEDMN N#CC[C@H]1CCCN(Cc2n[nH]c3ccccc32)C1 ZINC000597173878 350044608 /nfs/dbraw/zinc/04/46/08/350044608.db2.gz MMPBIZHKVOIXED-GFCCVEGCSA-N 0 1 254.337 2.689 20 30 CFEDMN N#CC[C@H]1CCCN(Cc2[nH]nc3ccccc32)C1 ZINC000597173878 350044612 /nfs/dbraw/zinc/04/46/12/350044612.db2.gz MMPBIZHKVOIXED-GFCCVEGCSA-N 0 1 254.337 2.689 20 30 CFEDMN CC[C@@H]1CN(C(=O)[C@H](C)CC#N)CCN1Cc1ccccc1 ZINC000597503215 350106123 /nfs/dbraw/zinc/10/61/23/350106123.db2.gz BBNIZYAINPCPRM-NVXWUHKLSA-N 0 1 299.418 2.659 20 30 CFEDMN C=CCCOCCNCc1ccn(-c2ccccc2)n1 ZINC000091065151 180093380 /nfs/dbraw/zinc/09/33/80/180093380.db2.gz ONHVWHIXZBXGOH-UHFFFAOYSA-N 0 1 271.364 2.555 20 30 CFEDMN CCCCCc1cc(C(=O)N2CCC[C@@H](CC#N)C2)n[nH]1 ZINC000597901230 350151936 /nfs/dbraw/zinc/15/19/36/350151936.db2.gz HUXRZTVFMIFEBA-ZDUSSCGKSA-N 0 1 288.395 2.908 20 30 CFEDMN N#Cc1ccccc1N1CCCN(Cc2cncs2)CC1 ZINC000091792307 180257633 /nfs/dbraw/zinc/25/76/33/180257633.db2.gz RJXNVVQFVBAPDV-UHFFFAOYSA-N 0 1 298.415 2.727 20 30 CFEDMN CCOc1cncc(CN2CCC(CC#N)CC2)c1 ZINC000598675247 350307168 /nfs/dbraw/zinc/30/71/68/350307168.db2.gz WBICOKQFIIXTHE-UHFFFAOYSA-N 0 1 259.353 2.606 20 30 CFEDMN CCC(C#N)(CC)C(=O)NC[C@H](c1cccs1)N(C)C ZINC000598967835 350351156 /nfs/dbraw/zinc/35/11/56/350351156.db2.gz OKEXSGKRYSXWON-GFCCVEGCSA-N 0 1 293.436 2.797 20 30 CFEDMN Cc1n[nH]cc1CN1CCC(Oc2cccc(C#N)c2)CC1 ZINC000092034458 180310182 /nfs/dbraw/zinc/31/01/82/180310182.db2.gz HQLNAKQNFVJORT-UHFFFAOYSA-N 0 1 296.374 2.633 20 30 CFEDMN CCC(CC)CN(CCC#N)CCOC1CCOCC1 ZINC000599308704 350411126 /nfs/dbraw/zinc/41/11/26/350411126.db2.gz XFIQWAZJHBWFCM-UHFFFAOYSA-N 0 1 282.428 2.834 20 30 CFEDMN C=CCN(C(=O)c1cc(C)cc2c[nH]nc21)C1CC1 ZINC000271374005 191103089 /nfs/dbraw/zinc/10/30/89/191103089.db2.gz IJQLTBZJBTYTLW-UHFFFAOYSA-N 0 1 255.321 2.662 20 30 CFEDMN CN(C)C[C@H](NCC#N)c1ccc(Cl)c(Cl)c1 ZINC000599628169 350467203 /nfs/dbraw/zinc/46/72/03/350467203.db2.gz PWLJFHKCXULGKJ-LBPRGKRZSA-N 0 1 272.179 2.709 20 30 CFEDMN CN(C)C[C@@H](NCC#N)c1ccc(Cl)c(Cl)c1 ZINC000599628167 350467279 /nfs/dbraw/zinc/46/72/79/350467279.db2.gz PWLJFHKCXULGKJ-GFCCVEGCSA-N 0 1 272.179 2.709 20 30 CFEDMN C=CCCSCCNCc1cnc(C2CC2)o1 ZINC000600175433 350531104 /nfs/dbraw/zinc/53/11/04/350531104.db2.gz BABRKIJVSHVFCW-UHFFFAOYSA-N 0 1 252.383 2.951 20 30 CFEDMN C=CCN(C[C@H]1CN(c2ccccc2)C(=O)O1)C1CC1 ZINC000271382622 191109286 /nfs/dbraw/zinc/10/92/86/191109286.db2.gz INQBZEHASWFEOH-HNNXBMFYSA-N 0 1 272.348 2.662 20 30 CFEDMN C=CC1CCN(C(=O)c2cc(-c3ccoc3)[nH]n2)CC1 ZINC000600418082 350554529 /nfs/dbraw/zinc/55/45/29/350554529.db2.gz WIXBPCXUEADYDS-UHFFFAOYSA-N 0 1 271.320 2.708 20 30 CFEDMN C=CC[C@H]1CC[N@H+](Cc2cc(C(=O)[O-])ccc2[N+](=O)[O-])C1 ZINC000600673816 350595003 /nfs/dbraw/zinc/59/50/03/350595003.db2.gz IZLSNIWYRPDIPC-NSHDSACASA-N 0 1 290.319 2.691 20 30 CFEDMN N#CC1(C(=O)Nc2ccc(-n3ccc(=O)[nH]3)cc2)CCCC1 ZINC000600676527 350595693 /nfs/dbraw/zinc/59/56/93/350595693.db2.gz WNXALLKRSJZXOX-UHFFFAOYSA-N 0 1 296.330 2.600 20 30 CFEDMN C=CC1CCN(CC(=O)N[C@@H]2CCC[C@H](C)[C@H]2C)CC1 ZINC000600683135 350596362 /nfs/dbraw/zinc/59/63/62/350596362.db2.gz MNZQWQBPWKHUBT-SQWLQELKSA-N 0 1 278.440 2.825 20 30 CFEDMN C=CC1CCN(CC(=O)N[C@@H]2CCC[C@H](C)[C@@H]2C)CC1 ZINC000600683133 350596383 /nfs/dbraw/zinc/59/63/83/350596383.db2.gz MNZQWQBPWKHUBT-OFQRWUPVSA-N 0 1 278.440 2.825 20 30 CFEDMN Cc1ccc(C[N@@H+]2CCC[C@H](C)[C@@H]2C(=O)[O-])cc1C#N ZINC000600711058 350599066 /nfs/dbraw/zinc/59/90/66/350599066.db2.gz XCGWWYLZHZBQTP-SWLSCSKDSA-N 0 1 272.348 2.552 20 30 CFEDMN Cc1ccc(C[N@H+]2CCC[C@H](CCC(=O)[O-])C2)cc1C#N ZINC000600709571 350599170 /nfs/dbraw/zinc/59/91/70/350599170.db2.gz RHUDDULYTIUAAA-CQSZACIVSA-N 0 1 286.375 2.944 20 30 CFEDMN Cc1ccc(C[N@H+]2CCCC[C@@H]2CC(=O)[O-])cc1C#N ZINC000600710138 350599374 /nfs/dbraw/zinc/59/93/74/350599374.db2.gz SHMSWALYEBYCAG-OAHLLOKOSA-N 0 1 272.348 2.696 20 30 CFEDMN N#Cc1ccc(CNCc2cccc3c2CCCN3)o1 ZINC000600769848 350607825 /nfs/dbraw/zinc/60/78/25/350607825.db2.gz STBBSSFLLYIBBF-UHFFFAOYSA-N 0 1 267.332 2.799 20 30 CFEDMN COc1cncc(CNCc2cccc(C#N)c2)c1C ZINC000601100178 350668129 /nfs/dbraw/zinc/66/81/29/350668129.db2.gz HACGYHOYCOSXBW-UHFFFAOYSA-N 0 1 267.332 2.560 20 30 CFEDMN CCc1c(C)[nH]n(-c2ccc(C#N)c(Cl)c2)c1=O ZINC000601948048 350815258 /nfs/dbraw/zinc/81/52/58/350815258.db2.gz IXHMIQYPZYYMCR-NSHDSACASA-N 0 1 261.712 2.960 20 30 CFEDMN C[C@@H]1CCc2c1[nH]n(-c1ccc(C#N)c(Cl)c1)c2=O ZINC000601950490 350816812 /nfs/dbraw/zinc/81/68/12/350816812.db2.gz UWACFTDMKQCMHT-KCJUWKMLSA-N 0 1 273.723 2.960 20 30 CFEDMN C[C@H](C(=O)Nc1cc(F)cc(C#N)c1)N1[C@H](C)CC[C@H]1C ZINC000601715677 350768116 /nfs/dbraw/zinc/76/81/16/350768116.db2.gz OBLTYLCZHDEPNP-IJLUTSLNSA-N 0 1 289.354 2.897 20 30 CFEDMN CC(C)(C#N)C[C@H](O)CN[C@@H](CF)c1ccc(F)cc1 ZINC000601969202 350821643 /nfs/dbraw/zinc/82/16/43/350821643.db2.gz AOKIAYRZSIUKQA-KBPBESRZSA-N 0 1 282.334 2.727 20 30 CFEDMN Cc1cc2c[nH]nc2c(C(=O)N(C)[C@H]2CCC[C@@H]2C#N)c1 ZINC000601810714 350781097 /nfs/dbraw/zinc/78/10/97/350781097.db2.gz OXCJAUSWYYBBJN-RISCZKNCSA-N 0 1 282.347 2.636 20 30 CFEDMN Cc1cc2c[nH]nc2c(C(=O)N(C)[C@H]2CCC[C@H]2C#N)c1 ZINC000601810711 350781551 /nfs/dbraw/zinc/78/15/51/350781551.db2.gz OXCJAUSWYYBBJN-FZMZJTMJSA-N 0 1 282.347 2.636 20 30 CFEDMN C[C@H](c1cccc(C#N)c1)N1CCO[C@H](C(F)F)CC1 ZINC000601976433 350822417 /nfs/dbraw/zinc/82/24/17/350822417.db2.gz PXPRNBJYJFGOHF-RISCZKNCSA-N 0 1 280.318 2.975 20 30 CFEDMN C[C@@H](CC#N)n1[nH]c(CCc2ccccc2)cc1=O ZINC000601935997 350808450 /nfs/dbraw/zinc/80/84/50/350808450.db2.gz NNRPRRUIGVIOGS-LBPRGKRZSA-N 0 1 255.321 2.510 20 30 CFEDMN Cc1[nH]n(-c2ccnc(C(F)(F)F)c2)c(=O)c1CCC#N ZINC000601943345 350811783 /nfs/dbraw/zinc/81/17/83/350811783.db2.gz DLTFRYMGVUVCIB-SNVBAGLBSA-N 0 1 296.252 2.743 20 30 CFEDMN CC(C)CC[C@](C)(O)CNCc1cccc(F)c1C#N ZINC000602008907 350829610 /nfs/dbraw/zinc/82/96/10/350829610.db2.gz VURKPCPDIMYVQB-INIZCTEOSA-N 0 1 278.371 2.974 20 30 CFEDMN C[C@]1(CNCc2cccc(F)c2C#N)CCCC[C@H]1O ZINC000602011659 350830268 /nfs/dbraw/zinc/83/02/68/350830268.db2.gz JGZMPEKVPVKGSE-HZPDHXFCSA-N 0 1 276.355 2.728 20 30 CFEDMN CC(C)[C@H](O)C(C)(C)CNCc1cccc(F)c1C#N ZINC000602010625 350830391 /nfs/dbraw/zinc/83/03/91/350830391.db2.gz GSOSTSSRIPRWII-HNNXBMFYSA-N 0 1 278.371 2.830 20 30 CFEDMN CO[C@@H](CNCc1cccc(F)c1C#N)C(C)(C)C ZINC000602013380 350831655 /nfs/dbraw/zinc/83/16/55/350831655.db2.gz NDJXQUVPQHLQRD-AWEZNQCLSA-N 0 1 264.344 2.848 20 30 CFEDMN CSC1(CNCc2cccc(F)c2C#N)CC1 ZINC000602018497 350832877 /nfs/dbraw/zinc/83/28/77/350832877.db2.gz YHWDVLVTGPBQLD-UHFFFAOYSA-N 0 1 250.342 2.683 20 30 CFEDMN N#Cc1c(F)cccc1CNC[C@@H]1Cc2ccccc2CO1 ZINC000602018005 350832950 /nfs/dbraw/zinc/83/29/50/350832950.db2.gz WRBCZYTZLQXALA-INIZCTEOSA-N 0 1 296.345 2.928 20 30 CFEDMN CC[C@@H](NCc1cccc(F)c1C#N)[C@@H](O)C(C)C ZINC000602021428 350834186 /nfs/dbraw/zinc/83/41/86/350834186.db2.gz UFYFJLFJTRUWIL-CABCVRRESA-N 0 1 264.344 2.582 20 30 CFEDMN CCCNc1ccc(C#N)cc1NC(=O)c1[nH]cnc1C ZINC000602113760 350842589 /nfs/dbraw/zinc/84/25/89/350842589.db2.gz YQTPFNLGFLENRP-UHFFFAOYSA-N 0 1 283.335 2.664 20 30 CFEDMN Cc1[nH]ncc1CN(C)C(=O)CC1(C#N)CCCCC1 ZINC000602173568 350849265 /nfs/dbraw/zinc/84/92/65/350849265.db2.gz PGCJJBFOFCXWCE-UHFFFAOYSA-N 0 1 274.368 2.541 20 30 CFEDMN CC[C@@H](C)[C@@](C)(O)CNCc1cccc(F)c1C#N ZINC000602005597 350827963 /nfs/dbraw/zinc/82/79/63/350827963.db2.gz JVOKIKOYJMQPID-ABAIWWIYSA-N 0 1 264.344 2.584 20 30 CFEDMN CC(C)N(CC(=O)OC(C)(C)C)C[C@@H](C)CCC#N ZINC000602477911 350898127 /nfs/dbraw/zinc/89/81/27/350898127.db2.gz USISITYJVZFKSN-ZDUSSCGKSA-N 0 1 268.401 2.978 20 30 CFEDMN CCc1ccccc1CNCc1cccc(C#N)n1 ZINC000602554282 350922793 /nfs/dbraw/zinc/92/27/93/350922793.db2.gz FJXAYRYGZWRWAO-UHFFFAOYSA-N 0 1 251.333 2.805 20 30 CFEDMN N#Cc1ccc(OCCNCc2cc(C3CC3)no2)cc1 ZINC000602559476 350924659 /nfs/dbraw/zinc/92/46/59/350924659.db2.gz UENVSDANRXYCJW-UHFFFAOYSA-N 0 1 283.331 2.592 20 30 CFEDMN C[C@@H](CCC#N)CNCc1nnc(C(C)(C)C)s1 ZINC000602568464 350927606 /nfs/dbraw/zinc/92/76/06/350927606.db2.gz OOTXWXUUGJOZIG-JTQLQIEISA-N 0 1 266.414 2.865 20 30 CFEDMN N#Cc1cccc(CN[C@H](c2ccccc2)[C@@H]2CCOC2)n1 ZINC000602580987 350933627 /nfs/dbraw/zinc/93/36/27/350933627.db2.gz GIRRMZRGRQNZIQ-CRAIPNDOSA-N 0 1 293.370 2.821 20 30 CFEDMN CCC[C@H](C[N@@H+](CCOC)Cc1ccc(C#N)cc1)OC ZINC000602444075 350886025 /nfs/dbraw/zinc/88/60/25/350886025.db2.gz KIHIERJOOXROSU-QGZVFWFLSA-N 0 1 290.407 2.822 20 30 CFEDMN C[N@@H+](CCCOc1ccccc1)Cc1cccc(C#N)n1 ZINC000602446235 350886357 /nfs/dbraw/zinc/88/63/57/350886357.db2.gz ZHCNACKTVREZGM-UHFFFAOYSA-N 0 1 281.359 2.854 20 30 CFEDMN CN(CCCOc1ccccc1)Cc1cccc(C#N)n1 ZINC000602446235 350886363 /nfs/dbraw/zinc/88/63/63/350886363.db2.gz ZHCNACKTVREZGM-UHFFFAOYSA-N 0 1 281.359 2.854 20 30 CFEDMN C[C@@H](CC#N)N(C)[C@H](c1nnc[nH]1)C1CCCCC1 ZINC000602461210 350890747 /nfs/dbraw/zinc/89/07/47/350890747.db2.gz DOILXTBQHRHMOR-AAEUAGOBSA-N 0 1 261.373 2.660 20 30 CFEDMN C[C@@H](CCC#N)CN1CCOc2cccc(F)c2C1 ZINC000602658061 350963236 /nfs/dbraw/zinc/96/32/36/350963236.db2.gz HZVKXKGCQZCEPY-LBPRGKRZSA-N 0 1 262.328 2.960 20 30 CFEDMN C[C@@]1(CNCc2cccc(C#N)n2)OCCc2sccc21 ZINC000602666802 350967172 /nfs/dbraw/zinc/96/71/72/350967172.db2.gz KUFXTNCNZGHRCM-INIZCTEOSA-N 0 1 299.399 2.592 20 30 CFEDMN CCc1ccc(C)nc1NCc1cccc(C#N)n1 ZINC000602709136 350992222 /nfs/dbraw/zinc/99/22/22/350992222.db2.gz GILZULGIJAWBBO-UHFFFAOYSA-N 0 1 252.321 2.831 20 30 CFEDMN Cc1ncc([C@H](C)N2CCC[C@H](CC#N)C2)c(C)n1 ZINC000602710864 350992710 /nfs/dbraw/zinc/99/27/10/350992710.db2.gz ZAMUBILFYQHBLD-GXTWGEPZSA-N 0 1 258.369 2.780 20 30 CFEDMN N#Cc1cccc(CN2CCC(C3CCC3)CC2)n1 ZINC000602709970 350993092 /nfs/dbraw/zinc/99/30/92/350993092.db2.gz LWAPMGUMUSMMOD-UHFFFAOYSA-N 0 1 255.365 2.965 20 30 CFEDMN C[C@]1(C#N)CCN(Cc2cccc3ncccc23)C1 ZINC000602717592 350997674 /nfs/dbraw/zinc/99/76/74/350997674.db2.gz HNPKLASTSVQYKT-MRXNPFEDSA-N 0 1 251.333 2.970 20 30 CFEDMN C[C@H](CCC#N)CN1CCOc2cc(F)ccc2C1 ZINC000602730575 351004200 /nfs/dbraw/zinc/00/42/00/351004200.db2.gz QNBTUWPGFREWPC-GFCCVEGCSA-N 0 1 262.328 2.960 20 30 CFEDMN CCC[N@H+](Cc1ccc(C#N)cc1)C[C@@H]1CCc2ncnn21 ZINC000602764838 351017348 /nfs/dbraw/zinc/01/73/48/351017348.db2.gz ZOSMBRKRQTYEJX-INIZCTEOSA-N 0 1 295.390 2.549 20 30 CFEDMN C[C@@H]1[C@@H](C)N(CCCCC(C)(C)C#N)[C@@H](C)C(=O)N1C ZINC000602846835 351044119 /nfs/dbraw/zinc/04/41/19/351044119.db2.gz HZPJRNGLVZLZTM-MCIONIFRSA-N 0 1 279.428 2.646 20 30 CFEDMN CSc1ccc(CN2C[C@H](C)N(CC#N)[C@@H](C)C2)cc1 ZINC000602856205 351047142 /nfs/dbraw/zinc/04/71/42/351047142.db2.gz JGXJTHUOCSNDOU-KBPBESRZSA-N 0 1 289.448 2.827 20 30 CFEDMN N#CCc1ccc(C[N@H+]2CCC[C@H]2c2cn[nH]c2)cc1 ZINC000602880827 351055938 /nfs/dbraw/zinc/05/59/38/351055938.db2.gz MQDMRYGEJOSRGV-INIZCTEOSA-N 0 1 266.348 2.813 20 30 CFEDMN COc1cc(C#N)ccc1CN1CCC(SC)CC1 ZINC000602922261 351067061 /nfs/dbraw/zinc/06/70/61/351067061.db2.gz FPZFZERORFOUNV-UHFFFAOYSA-N 0 1 276.405 2.894 20 30 CFEDMN CN(Cc1cccc(-n2cccn2)c1)[C@@H]1CCC[C@@H]1C#N ZINC000602979838 351081484 /nfs/dbraw/zinc/08/14/84/351081484.db2.gz IHYICMOILXYDFB-NVXWUHKLSA-N 0 1 280.375 2.996 20 30 CFEDMN N#Cc1ccc(F)c(CN2CC[C@H](O)[C@H]3CCCC[C@H]32)c1 ZINC000602998095 351089614 /nfs/dbraw/zinc/08/96/14/351089614.db2.gz XDNUNSWSOOCFFJ-UAGQMJEPSA-N 0 1 288.366 2.823 20 30 CFEDMN Cc1[nH]n(-c2ccc(F)cc2F)c(=O)c1CCC#N ZINC000603923685 351191856 /nfs/dbraw/zinc/19/18/56/351191856.db2.gz LKBLMMODYKKQPT-JTQLQIEISA-N 0 1 263.247 2.607 20 30 CFEDMN Cc1ccccc1CN1CCN([C@@H](C#N)C(C)C)CC1 ZINC000609486114 351503189 /nfs/dbraw/zinc/50/31/89/351503189.db2.gz DFGVJODPUSQAQV-KRWDZBQOSA-N 0 1 271.408 2.661 20 30 CFEDMN C[C@H](CN(C)CC(=O)N[C@@](C)(C#N)C1CC1)c1ccccc1 ZINC000608977209 351482879 /nfs/dbraw/zinc/48/28/79/351482879.db2.gz LDQNKOURERAGNN-KDOFPFPSSA-N 0 1 299.418 2.530 20 30 CFEDMN N#Cc1ccccc1CN1CCC[C@@H](n2ccnc2)C1 ZINC000609157574 351489862 /nfs/dbraw/zinc/48/98/62/351489862.db2.gz GKLHZBDXRJLDIW-MRXNPFEDSA-N 0 1 266.348 2.592 20 30 CFEDMN CC[C@@H](C)CN1CCN(c2oc(C3CC3)nc2C#N)CC1 ZINC000610675186 351591050 /nfs/dbraw/zinc/59/10/50/351591050.db2.gz KNJXCTFKBZTKOI-GFCCVEGCSA-N 0 1 288.395 2.592 20 30 CFEDMN C=CCN(CC=C)C(=O)[C@@H](C)N[C@@H](C)c1cccc(C#N)c1 ZINC000610343861 351556947 /nfs/dbraw/zinc/55/69/47/351556947.db2.gz VBXRVULCMIDBHT-LSDHHAIUSA-N 0 1 297.402 2.798 20 30 CFEDMN CC[C@H](C)NC(=O)[C@H](C)N[C@@H](C)c1cccc(C#N)c1 ZINC000610346053 351557279 /nfs/dbraw/zinc/55/72/79/351557279.db2.gz JFNDFXPTXZDSLJ-AVGNSLFASA-N 0 1 273.380 2.512 20 30 CFEDMN N#Cc1cc(CN2CCC(OC3CCCC3)CC2)ccn1 ZINC000610992360 351630157 /nfs/dbraw/zinc/63/01/57/351630157.db2.gz XINWTODAQYQWSD-UHFFFAOYSA-N 0 1 285.391 2.877 20 30 CFEDMN C[C@H](NCC(=O)NCc1cccs1)c1cccc(C#N)c1 ZINC000611389236 351678891 /nfs/dbraw/zinc/67/88/91/351678891.db2.gz QURPFXFCFZJSHD-LBPRGKRZSA-N 0 1 299.399 2.587 20 30 CFEDMN C[C@@H](NCC(=O)NCc1cccs1)c1cccc(C#N)c1 ZINC000611389233 351679357 /nfs/dbraw/zinc/67/93/57/351679357.db2.gz QURPFXFCFZJSHD-GFCCVEGCSA-N 0 1 299.399 2.587 20 30 CFEDMN N#Cc1cc(CN[C@H](CCCO)c2ccccc2)ccn1 ZINC000611396419 351682056 /nfs/dbraw/zinc/68/20/56/351682056.db2.gz KLJXJRNJENVROK-QGZVFWFLSA-N 0 1 281.359 2.557 20 30 CFEDMN N#Cc1ccc(C2=CCN(Cc3cn[nH]c3)CC2)cc1 ZINC000611287742 351664237 /nfs/dbraw/zinc/66/42/37/351664237.db2.gz VNJMESQYTRFLSP-UHFFFAOYSA-N 0 1 264.332 2.571 20 30 CFEDMN N#Cc1ccc(CN2CCC[C@@H](OC(F)F)C2)cc1 ZINC000611578397 351711545 /nfs/dbraw/zinc/71/15/45/351711545.db2.gz CIQIOFUOWROZQY-CYBMUJFWSA-N 0 1 266.291 2.762 20 30 CFEDMN CO[C@H]1CCCN(Cc2cccc(C#N)c2F)CC1 ZINC000611943541 351754287 /nfs/dbraw/zinc/75/42/87/351754287.db2.gz MUAFITZTPWTGJE-AWEZNQCLSA-N 0 1 262.328 2.698 20 30 CFEDMN N#CCCN1CCN(Cc2cc3ccccc3s2)CC1 ZINC000612450085 351823164 /nfs/dbraw/zinc/82/31/64/351823164.db2.gz YHDPBABZBLPVOJ-UHFFFAOYSA-N 0 1 285.416 2.933 20 30 CFEDMN CCN(C)[C@H](C(=O)N1CCC[C@](C)(C#N)C1)c1ccccc1 ZINC000612367387 351808597 /nfs/dbraw/zinc/80/85/97/351808597.db2.gz OSTDQGPYUPWRCV-FUHWJXTLSA-N 0 1 299.418 2.832 20 30 CFEDMN CCN(C)[C@@H](C(=O)N1CCC[C@](C)(C#N)C1)c1ccccc1 ZINC000612367388 351808683 /nfs/dbraw/zinc/80/86/83/351808683.db2.gz OSTDQGPYUPWRCV-SJLPKXTDSA-N 0 1 299.418 2.832 20 30 CFEDMN C[C@@H](c1ccccc1)N1CC[C@H]([NH2+]CC(C)(C)C#N)C1 ZINC000612587970 351840624 /nfs/dbraw/zinc/84/06/24/351840624.db2.gz JDHVLUJFQNOWFO-HOCLYGCPSA-N 0 1 271.408 2.961 20 30 CFEDMN C[C@H](c1ccccc1)N1CC[C@@H]([NH2+]CC(C)(C)C#N)C1 ZINC000612587966 351840711 /nfs/dbraw/zinc/84/07/11/351840711.db2.gz JDHVLUJFQNOWFO-GDBMZVCRSA-N 0 1 271.408 2.961 20 30 CFEDMN Cc1csc([C@H](C)CNC[C@H](C#N)CCC#N)n1 ZINC000612599706 351842161 /nfs/dbraw/zinc/84/21/61/351842161.db2.gz PQAHMWDDASXANJ-PWSUYJOCSA-N 0 1 262.382 2.588 20 30 CFEDMN CCN(CC#N)C(=O)c1cc(-c2ccc(Cl)cc2)[nH]n1 ZINC000124166139 187125171 /nfs/dbraw/zinc/12/51/71/187125171.db2.gz RGHBEUJEXYJFDI-UHFFFAOYSA-N 0 1 288.738 2.716 20 30 CFEDMN CCN1CCN(c2nc(C(C)(C)C)ccc2C#N)C[C@H]1C ZINC000613427449 351957271 /nfs/dbraw/zinc/95/72/71/351957271.db2.gz DFNQRFFCLOQKMK-CYBMUJFWSA-N 0 1 286.423 2.781 20 30 CFEDMN C[C@@H]1[C@H](C)N(c2nc(C(C)(C)C)ccc2C#N)CCN1C ZINC000613430980 351958293 /nfs/dbraw/zinc/95/82/93/351958293.db2.gz JOMSPOMNSVTALJ-OLZOCXBDSA-N 0 1 286.423 2.780 20 30 CFEDMN C[C@H]1CN(C2CC2)C[C@@H]1Nc1snc(Cl)c1C#N ZINC000271455533 191147520 /nfs/dbraw/zinc/14/75/20/191147520.db2.gz ZNEWDDZMCIIDMS-XVKPBYJWSA-N 0 1 282.800 2.563 20 30 CFEDMN C[N@@H+](CC1(CC#N)CC1)[C@@H]1CCN(Cc2ccccc2)C1 ZINC000381813810 539829619 /nfs/dbraw/zinc/82/96/19/539829619.db2.gz BJJIFABMJPAFDY-QGZVFWFLSA-N 0 1 283.419 2.887 20 30 CFEDMN C=CCC1(C(=O)N(C)Cc2cnc[nH]2)CCCCC1 ZINC000616922215 352438223 /nfs/dbraw/zinc/43/82/23/352438223.db2.gz UFRHVUDZOVNIHW-UHFFFAOYSA-N 0 1 261.369 2.895 20 30 CFEDMN C=CCN(Cc1n[nH]c(C(C)C)n1)Cc1cccc(C#N)c1 ZINC000292168224 198190094 /nfs/dbraw/zinc/19/00/94/198190094.db2.gz LOBONDAUWZXLEO-UHFFFAOYSA-N 0 1 295.390 2.988 20 30 CFEDMN C[C@H]1CCCC[C@H]1NC(=O)CN1CCC(CCC#N)CC1 ZINC000573917568 334976883 /nfs/dbraw/zinc/97/68/83/334976883.db2.gz YNGDTMXLIVRGTD-GOEBONIOSA-N 0 1 291.439 2.697 20 30 CFEDMN C=CCC[C@@H](O)CN[C@H](C)c1c(F)cccc1F ZINC000271643405 191255843 /nfs/dbraw/zinc/25/58/43/191255843.db2.gz CUZACVJULKQPBL-GHMZBOCLSA-N 0 1 255.308 2.943 20 30 CFEDMN C[C@@H](CCC#N)CN1CCN([C@H](C#N)c2ccccc2)CC1 ZINC000618887234 352904668 /nfs/dbraw/zinc/90/46/68/352904668.db2.gz NPZUTMQLXIPRPH-FUHWJXTLSA-N 0 1 296.418 2.809 20 30 CFEDMN Cc1nc(N2CCOCC2)ccc1NC[C@H](C)CCC#N ZINC000618888440 352905405 /nfs/dbraw/zinc/90/54/05/352905405.db2.gz YCVZVENJTWUQTL-CYBMUJFWSA-N 0 1 288.395 2.578 20 30 CFEDMN C=CCC1(NC(=O)[C@@H]2CCc3[nH]cnc3C2)CCCC1 ZINC000619109972 352955220 /nfs/dbraw/zinc/95/52/20/352955220.db2.gz AHKFNJXMILCWEJ-GFCCVEGCSA-N 0 1 273.380 2.520 20 30 CFEDMN C=CCC1(NC(=O)[C@@H]2CCCc3[nH]ncc32)CCCC1 ZINC000619108424 352955260 /nfs/dbraw/zinc/95/52/60/352955260.db2.gz VOUASIHEMASGOL-GFCCVEGCSA-N 0 1 273.380 2.835 20 30 CFEDMN C[C@H](NCC(=O)NCc1cccc(C#N)c1)c1ccsc1 ZINC000619782528 353066718 /nfs/dbraw/zinc/06/67/18/353066718.db2.gz BPRDKIFMPSSFEC-LBPRGKRZSA-N 0 1 299.399 2.587 20 30 CFEDMN C=C[C@H](Sc1nc(CCC2CCCC2)n[nH]1)C(=O)OC ZINC000619689093 353049847 /nfs/dbraw/zinc/04/98/47/353049847.db2.gz ZVOQDTYUHYKVNB-NSHDSACASA-N 0 1 295.408 2.747 20 30 CFEDMN C=C[C@H](Sc1n[nH]c(CCC2CCCC2)n1)C(=O)OC ZINC000619689093 353049850 /nfs/dbraw/zinc/04/98/50/353049850.db2.gz ZVOQDTYUHYKVNB-NSHDSACASA-N 0 1 295.408 2.747 20 30 CFEDMN C=C1C[C@H]2CC[C@@H](C1)N2C(=O)c1c(O)cccc1F ZINC000620305544 353149256 /nfs/dbraw/zinc/14/92/56/353149256.db2.gz KSJICCZHPCRNRY-PHIMTYICSA-N 0 1 261.296 2.855 20 30 CFEDMN COC1(C)CCN(Cc2cn3ccccc3c2C#N)CC1 ZINC000271669593 191269754 /nfs/dbraw/zinc/26/97/54/191269754.db2.gz AQXJIQVLUNSLCN-UHFFFAOYSA-N 0 1 283.375 2.812 20 30 CFEDMN CC#CCCN(CCC)CC(=O)Nc1ccccc1OC ZINC000155028495 188177022 /nfs/dbraw/zinc/17/70/22/188177022.db2.gz ICOVVMFUEQEHAL-UHFFFAOYSA-N 0 1 288.391 2.759 20 30 CFEDMN C[C@@H]1CCN(CC#Cc2ccc(Cl)cc2)C[C@H]1CO ZINC000621366312 353339596 /nfs/dbraw/zinc/33/95/96/353339596.db2.gz JJVMMQBMWZCVFA-HIFRSBDPSA-N 0 1 277.795 2.642 20 30 CFEDMN C=CC1CCN(C(=O)[C@@H]2C[C@@H](C)Cc3c[nH]nc32)CC1 ZINC000623193102 353592212 /nfs/dbraw/zinc/59/22/12/353592212.db2.gz PAIGWRPDSFRDMK-SMDDNHRTSA-N 0 1 273.380 2.500 20 30 CFEDMN C=CC1CCN(C(=O)[C@H]2C[C@H](C)Cc3c[nH]nc32)CC1 ZINC000623193101 353592260 /nfs/dbraw/zinc/59/22/60/353592260.db2.gz PAIGWRPDSFRDMK-RISCZKNCSA-N 0 1 273.380 2.500 20 30 CFEDMN C=C[C@@H]1CCCCN1C(=O)[C@@H]1C[C@@H](C)Cc2c[nH]nc21 ZINC000623213483 353593982 /nfs/dbraw/zinc/59/39/82/353593982.db2.gz YJZLYVKJAZNSKN-IACUBPJLSA-N 0 1 273.380 2.643 20 30 CFEDMN C=CC(C)(C)CCNc1nc(C2CCOCC2)ns1 ZINC000624432427 353880361 /nfs/dbraw/zinc/88/03/61/353880361.db2.gz KVCXJIJCCGBPTH-UHFFFAOYSA-N 0 1 281.425 2.868 20 30 CFEDMN C=CC(C)(C)CCNC(=O)N1C[C@@H](C)N(CC)C[C@H]1C ZINC000624464736 353887175 /nfs/dbraw/zinc/88/71/75/353887175.db2.gz NHMQBUBMPFJVPA-ZIAGYGMSSA-N 0 1 281.444 2.713 20 30 CFEDMN C=CC[C@H]1CCN(CC(=O)Nc2ccc(C)c(F)c2)C1 ZINC000625704035 354090840 /nfs/dbraw/zinc/09/08/40/354090840.db2.gz RGYPHUBUHPSQMQ-ZDUSSCGKSA-N 0 1 276.355 2.971 20 30 CFEDMN COC1(C)CCN(Cc2ccc(C#N)cc2F)CC1 ZINC000271726049 191293978 /nfs/dbraw/zinc/29/39/78/191293978.db2.gz MAGHCXVUQPUKLV-UHFFFAOYSA-N 0 1 262.328 2.698 20 30 CFEDMN C=CCC1(NCc2nc(CCOC)no2)CCCCC1 ZINC000625936275 354148627 /nfs/dbraw/zinc/14/86/27/354148627.db2.gz GIITVUQAMSMSHR-UHFFFAOYSA-N 0 1 279.384 2.627 20 30 CFEDMN C=CCC1(C(=O)NCc2ccc3c(=N)[nH]oc3c2)CCC1 ZINC000627802066 354407058 /nfs/dbraw/zinc/40/70/58/354407058.db2.gz FTWJLVHXELOUJJ-UHFFFAOYSA-N 0 1 285.347 2.603 20 30 CFEDMN C=CCn1c(SCC(=O)C2C(C)(C)C2(C)C)n[nH]c1=O ZINC000629162501 354762614 /nfs/dbraw/zinc/76/26/14/354762614.db2.gz WWMNGUZLLABQDT-UHFFFAOYSA-N 0 1 295.408 2.513 20 30 CFEDMN C=CC[C@H]1CC[N@H+](Cc2ccc(C(=O)[O-])c(F)c2)C1 ZINC000629366462 354789236 /nfs/dbraw/zinc/78/92/36/354789236.db2.gz NVHDMXHCSBWWGH-NSHDSACASA-N 0 1 263.312 2.922 20 30 CFEDMN C=CC[C@@H]1CC[N@H+](Cc2ccc(F)cc2C(=O)[O-])C1 ZINC000629366233 354789665 /nfs/dbraw/zinc/78/96/65/354789665.db2.gz KDJVVNLFKBXHPI-LLVKDONJSA-N 0 1 263.312 2.922 20 30 CFEDMN C=CC[C@H]1CC[N@H+](Cc2ccc(F)cc2C(=O)[O-])C1 ZINC000629366234 354789684 /nfs/dbraw/zinc/78/96/84/354789684.db2.gz KDJVVNLFKBXHPI-NSHDSACASA-N 0 1 263.312 2.922 20 30 CFEDMN C=CC[C@H]1CC[N@H+](Cc2cc(C(=O)[O-])oc2CC)C1 ZINC000629366138 354789749 /nfs/dbraw/zinc/78/97/49/354789749.db2.gz GYADYJKSSBSMIU-NSHDSACASA-N 0 1 263.337 2.938 20 30 CFEDMN N#CC1(c2nc(C3(N)CCCCC3)no2)CCCCC1 ZINC000331588694 283049418 /nfs/dbraw/zinc/04/94/18/283049418.db2.gz BJNPAKOALXUGBY-UHFFFAOYSA-N 0 1 274.368 2.913 20 30 CFEDMN C=CCn1cc(-c2ccc(F)c(CN(C)C)c2)cn1 ZINC000629737893 354916606 /nfs/dbraw/zinc/91/66/06/354916606.db2.gz BWEFBCNGTZBZEH-UHFFFAOYSA-N 0 1 259.328 2.937 20 30 CFEDMN C=C[C@@H]1CCCCN1C(=O)c1cc(-c2ccccc2O)[nH]n1 ZINC000629987167 354975789 /nfs/dbraw/zinc/97/57/89/354975789.db2.gz IWWMJHGJCXLJHF-GFCCVEGCSA-N 0 1 297.358 2.963 20 30 CFEDMN C[C@H](NCC(=O)N(C)C1CCCCC1)c1cccc(C#N)c1 ZINC000271854008 191369642 /nfs/dbraw/zinc/36/96/42/191369642.db2.gz RYLLWCHIAUJBSV-AWEZNQCLSA-N 0 1 299.418 3.000 20 30 CFEDMN C[C@@H](NCC(=O)N(C)C1CCCCC1)c1cccc(C#N)c1 ZINC000271854010 191370305 /nfs/dbraw/zinc/37/03/05/191370305.db2.gz RYLLWCHIAUJBSV-CQSZACIVSA-N 0 1 299.418 3.000 20 30 CFEDMN C=C(C)COCCNCc1c(OC)cc(F)cc1OC ZINC000631089796 355286344 /nfs/dbraw/zinc/28/63/44/355286344.db2.gz DVCCJOPFQPCAIJ-UHFFFAOYSA-N 0 1 283.343 2.525 20 30 CFEDMN C=CCOc1ccc(CN[C@@H](C)[C@H](O)C(F)(F)F)cc1 ZINC000631233386 355365350 /nfs/dbraw/zinc/36/53/50/355365350.db2.gz ZYOFFKODZALGDB-GWCFXTLKSA-N 0 1 289.297 2.653 20 30 CFEDMN CC1(C)Oc2ccsc2[C@@H](N[C@@H]2CC[C@@H](C#N)C2)[C@@H]1O ZINC000333827235 540145280 /nfs/dbraw/zinc/14/52/80/540145280.db2.gz KIBFBTMBMOLKGL-FTUHBYGFSA-N 0 1 292.404 2.603 20 30 CFEDMN C=C1CC(C)(C(=O)NCc2nc3ccc(C)cc3[nH]2)C1 ZINC000631580101 355498353 /nfs/dbraw/zinc/49/83/53/355498353.db2.gz OEBRAVQSOFHPJG-UHFFFAOYSA-N 0 1 269.348 2.844 20 30 CFEDMN C=C1CC(C)(C(=O)Nc2nc3ccc(F)cc3[nH]2)C1 ZINC000632781764 355743969 /nfs/dbraw/zinc/74/39/69/355743969.db2.gz WGMGVDKVIXJQOW-UHFFFAOYSA-N 0 1 259.284 2.997 20 30 CFEDMN N#Cc1ccc(F)cc1CN1CCC[C@@H]2COCC[C@@H]21 ZINC000336605452 283152045 /nfs/dbraw/zinc/15/20/45/283152045.db2.gz VPDMYOHUDWVHCO-CJNGLKHVSA-N 0 1 274.339 2.698 20 30 CFEDMN CC[C@@H](NCc1snnc1C)c1ccc(C#N)cc1 ZINC000293758342 198761327 /nfs/dbraw/zinc/76/13/27/198761327.db2.gz RVCKKXCYIFFHDJ-CYBMUJFWSA-N 0 1 272.377 2.959 20 30 CFEDMN N#Cc1ccc2c(c1)CCC[C@@H]2NCc1cncnc1 ZINC000418154354 283194120 /nfs/dbraw/zinc/19/41/20/283194120.db2.gz ZXLVNDFZSQQCDZ-INIZCTEOSA-N 0 1 264.332 2.515 20 30 CFEDMN CC#CCN(C)C(=O)c1cc(C2CCCCC2)[nH]n1 ZINC000294417284 199032347 /nfs/dbraw/zinc/03/23/47/199032347.db2.gz FKQIFJASQMEHLV-UHFFFAOYSA-N 0 1 259.353 2.553 20 30 CFEDMN CO[C@@H]1CCN(Cc2ccc(C#N)s2)CC1(C)C ZINC000294709476 199146162 /nfs/dbraw/zinc/14/61/62/199146162.db2.gz BVDSXCIPNFLBLK-CYBMUJFWSA-N 0 1 264.394 2.867 20 30 CFEDMN C=C(C)CN(CC)C(=O)[C@@H](C)N[C@@H](C)c1cnccc1C ZINC000679944591 542255596 /nfs/dbraw/zinc/25/55/96/542255596.db2.gz NYDQGDFHISXVMB-LSDHHAIUSA-N 0 1 289.423 2.854 20 30 CFEDMN C=C(C)CN1CCC(Nc2nc([C@H](C)OC)ns2)CC1 ZINC000669823241 540582176 /nfs/dbraw/zinc/58/21/76/540582176.db2.gz WYJRQNKZEJJUIK-NSHDSACASA-N 0 1 296.440 2.698 20 30 CFEDMN C#CCC1(C(=O)NCc2ccc3cncn3c2)CCCCC1 ZINC000297280472 200133861 /nfs/dbraw/zinc/13/38/61/200133861.db2.gz QIFMVXJRORWENL-UHFFFAOYSA-N 0 1 295.386 2.924 20 30 CFEDMN Cc1cc(N=c2s[nH]c(C)c2C#N)nn1[C@@H](C)C1CC1 ZINC000329324417 202282318 /nfs/dbraw/zinc/28/23/18/202282318.db2.gz IAJUOHMGCDGPRZ-JTQLQIEISA-N 0 1 287.392 2.965 20 30 CFEDMN CN(C)[C@@H](CNc1ncccc1C#N)c1ccsc1 ZINC000298313821 200392515 /nfs/dbraw/zinc/39/25/15/200392515.db2.gz PYXMGZPEFWQLBJ-ZDUSSCGKSA-N 0 1 272.377 2.730 20 30 CFEDMN Cc1sc(NC(=O)CN(C)C2CCC2)c(C#N)c1C ZINC000177311048 189043023 /nfs/dbraw/zinc/04/30/23/189043023.db2.gz GYVNWCLMGXGQCU-UHFFFAOYSA-N 0 1 277.393 2.659 20 30 CFEDMN Cn1cc(CNCC#Cc2ccc(C(F)(F)F)cc2)cn1 ZINC000177715299 189065012 /nfs/dbraw/zinc/06/50/12/189065012.db2.gz CEGLVIMXGDTCLY-UHFFFAOYSA-N 0 1 293.292 2.580 20 30 CFEDMN C=C[C@H]1CCCCN1C(=O)N[C@@H]1CCCc2cn[nH]c21 ZINC000683840557 540782442 /nfs/dbraw/zinc/78/24/42/540782442.db2.gz ADXMFTYRVBELAZ-QWHCGFSZSA-N 0 1 274.368 2.537 20 30 CFEDMN COC(=O)C[C@H]1CCCN1CC#Cc1ccc(Cl)cc1 ZINC000179150363 189173237 /nfs/dbraw/zinc/17/32/37/189173237.db2.gz RUGCZDMELIQORC-OAHLLOKOSA-N 0 1 291.778 2.719 20 30 CFEDMN C=CCC[C@H](CO)N[C@@H](C)c1nc(C)sc1C ZINC000321413807 541328241 /nfs/dbraw/zinc/32/82/41/541328241.db2.gz JQBLCMLCXUHPLC-JOYOIKCWSA-N 0 1 254.399 2.738 20 30 CFEDMN OCCCN(CC#Cc1ccc(Cl)cc1)C1CC1 ZINC000674251963 541551455 /nfs/dbraw/zinc/55/14/55/541551455.db2.gz XRPGNOVGZWDBJT-UHFFFAOYSA-N 0 1 263.768 2.538 20 30 CFEDMN COc1ccc(CN2CCSC[C@@H]2C2CC2)cc1C#N ZINC000449529369 242005989 /nfs/dbraw/zinc/00/59/89/242005989.db2.gz WOMBKWDZPFNPJK-OAHLLOKOSA-N 0 1 288.416 2.894 20 30 CFEDMN C=CCCN(C)C(=O)NC[C@H](c1cccc(F)c1)N(C)C ZINC000276030551 193193739 /nfs/dbraw/zinc/19/37/39/193193739.db2.gz BUVSMOMFAUSYLL-OAHLLOKOSA-N 0 1 293.386 2.646 20 30 CFEDMN C=CCCN(C)Cc1nc2cc([N+](=O)[O-])ccc2o1 ZINC000276445592 193334316 /nfs/dbraw/zinc/33/43/16/193334316.db2.gz OYOBKTCNCRXMMM-UHFFFAOYSA-N 0 1 261.281 2.744 20 30 CFEDMN C=CCCN(C)[C@H]1CCN(c2c(F)cccc2F)C1=O ZINC000276456349 193338231 /nfs/dbraw/zinc/33/82/31/193338231.db2.gz QDJOSTMGXSUNIO-ZDUSSCGKSA-N 0 1 280.318 2.578 20 30 CFEDMN C=CCCN(C)CC(=O)NCc1cccc(OCCC)c1 ZINC000276398980 193315518 /nfs/dbraw/zinc/31/55/18/193315518.db2.gz KDZLERCROGSNSC-UHFFFAOYSA-N 0 1 290.407 2.600 20 30 CFEDMN C=CCCN(C)[C@@H]1CCN(c2c(F)cccc2F)C1=O ZINC000276456344 193338944 /nfs/dbraw/zinc/33/89/44/193338944.db2.gz QDJOSTMGXSUNIO-CYBMUJFWSA-N 0 1 280.318 2.578 20 30 CFEDMN C=CCCN(C)CCCS(=O)(=O)c1ccc(C)cc1 ZINC000276479753 193348733 /nfs/dbraw/zinc/34/87/33/193348733.db2.gz SQLPYDHUICUETP-UHFFFAOYSA-N 0 1 281.421 2.667 20 30 CFEDMN N#Cc1cccc(CN2CCCC[C@H]2c2nnc[nH]2)c1F ZINC000331946076 204323191 /nfs/dbraw/zinc/32/31/91/204323191.db2.gz SALSPNMJGJTBMQ-ZDUSSCGKSA-N 0 1 285.326 2.543 20 30 CFEDMN C[C@H]1CCC[C@@](C#N)(NC(=O)Cc2[nH]nc3ccccc32)C1 ZINC000116804883 376207363 /nfs/dbraw/zinc/20/73/63/376207363.db2.gz WBEXQMKWHMEZCB-YVEFUNNKSA-N 0 1 296.374 2.694 20 30 CFEDMN CCc1cccc(NS(=O)(=O)c2ccccc2C#N)c1 ZINC000003334879 371793241 /nfs/dbraw/zinc/79/32/41/371793241.db2.gz SRXSEKQRGUXCAS-UHFFFAOYSA-N 0 1 286.356 2.921 20 30 CFEDMN Cc1nc([C@H](C)NC(=O)[C@H]2CCC[N@@H+]2C2CCCC2)n[nH]1 ZINC000329216918 227358034 /nfs/dbraw/zinc/35/80/34/227358034.db2.gz PHBLBZKDPNJBAG-GXFFZTMASA-N 0 1 291.399 2.538 20 30 CFEDMN Cc1nc([C@H](C)NC(=O)[C@H]2CCC[N@H+]2C2CCCC2)n[nH]1 ZINC000329216918 227358040 /nfs/dbraw/zinc/35/80/40/227358040.db2.gz PHBLBZKDPNJBAG-GXFFZTMASA-N 0 1 291.399 2.538 20 30 CFEDMN N#CCN1CCN(C(c2ccccc2)c2ccccc2)CC1 ZINC000019852168 372199539 /nfs/dbraw/zinc/19/95/39/372199539.db2.gz XNIYRTWNIFGHQX-UHFFFAOYSA-N 0 1 291.398 2.917 20 30 CFEDMN Cc1ccc(-c2n[nH]c(NC(=O)[C@@H]3CCCO3)n2)cc1 ZINC000028788347 372371386 /nfs/dbraw/zinc/37/13/86/372371386.db2.gz SCNMEEUIAPFHRR-NSHDSACASA-N 0 1 272.308 2.547 20 30 CFEDMN CC[C@@H]1CCCCN1CC(=O)Nc1cccc(C#N)c1 ZINC000031945939 372423776 /nfs/dbraw/zinc/42/37/76/372423776.db2.gz FZKTYKWSUAIKDZ-OAHLLOKOSA-N 0 1 271.364 2.761 20 30 CFEDMN N#Cc1cccc(CNCc2cccc3c2OCO3)c1 ZINC000037748842 372696576 /nfs/dbraw/zinc/69/65/76/372696576.db2.gz BDCGEQGMCQEMRQ-UHFFFAOYSA-N 0 1 266.300 2.577 20 30 CFEDMN C[C@@H](N[C@@H](C)c1cccc(C#N)c1)C(=O)N1CCCCC1 ZINC000037784446 372707353 /nfs/dbraw/zinc/70/73/53/372707353.db2.gz YBIUYEKOYXFLKA-UONOGXRCSA-N 0 1 285.391 2.610 20 30 CFEDMN CC(=O)Nc1cccc(C(=O)C(C#N)c2nc(C)cs2)c1 ZINC000041519495 372845198 /nfs/dbraw/zinc/84/51/98/372845198.db2.gz FNKPIAIJMHUNOK-ZDUSSCGKSA-N 0 1 299.355 2.900 20 30 CFEDMN Cc1csc(C(C#N)C(=O)c2ccc([N+](=O)[O-])cc2)n1 ZINC000041520413 372845718 /nfs/dbraw/zinc/84/57/18/372845718.db2.gz DWBZWZGCDFIOIO-LLVKDONJSA-N 0 1 287.300 2.850 20 30 CFEDMN Cc1csc([C@H](C#N)C(=O)c2ccc([N+](=O)[O-])cc2)n1 ZINC000041520413 372845727 /nfs/dbraw/zinc/84/57/27/372845727.db2.gz DWBZWZGCDFIOIO-LLVKDONJSA-N 0 1 287.300 2.850 20 30 CFEDMN C=CCCC[N@H+]1CCc2nnn(C3CC(C)C3)c2C1 ZINC000640038560 383685943 /nfs/dbraw/zinc/68/59/43/383685943.db2.gz KNHUEBXWLXBGLK-UHFFFAOYSA-N 0 1 260.385 2.573 20 30 CFEDMN C=CCCCN1CCc2nnn(C3CC(C)C3)c2C1 ZINC000640038560 383685947 /nfs/dbraw/zinc/68/59/47/383685947.db2.gz KNHUEBXWLXBGLK-UHFFFAOYSA-N 0 1 260.385 2.573 20 30 CFEDMN C[C@H]1CN(CCCOc2cccc(C#N)c2)CC(C)(C)O1 ZINC000045691105 373029132 /nfs/dbraw/zinc/02/91/32/373029132.db2.gz KEXPKPBJGGASKZ-AWEZNQCLSA-N 0 1 288.391 2.826 20 30 CFEDMN N#Cc1c(F)cccc1CN1CC[C@@H]2C[C@@H](O)CC[C@H]2C1 ZINC000451704696 383687245 /nfs/dbraw/zinc/68/72/45/383687245.db2.gz XLNZECLPXVURTP-IPYPFGDCSA-N 0 1 288.366 2.680 20 30 CFEDMN CC[C@@H](C)c1nc([C@H](C)NC(=O)C(C#N)(CC)CC)n[nH]1 ZINC000529158545 383687536 /nfs/dbraw/zinc/68/75/36/383687536.db2.gz AWBFLRCXCDZXPW-MNOVXSKESA-N 0 1 291.399 2.825 20 30 CFEDMN Cc1csc(C(C#N)C(=O)c2cnn(C(C)(C)C)c2)n1 ZINC000048520486 373196251 /nfs/dbraw/zinc/19/62/51/373196251.db2.gz SRXQCOANPXRPDP-LLVKDONJSA-N 0 1 288.376 2.893 20 30 CFEDMN N#Cc1cc(F)c(NCCN2CCCCC2)c(F)c1 ZINC000060379931 373692775 /nfs/dbraw/zinc/69/27/75/373692775.db2.gz OMVDUUQMWNDXPN-UHFFFAOYSA-N 0 1 265.307 2.734 20 30 CFEDMN C=CCNC(=O)[C@@H](C)Nc1cccc2c1CN(CCC)C2 ZINC000066968292 373965192 /nfs/dbraw/zinc/96/51/92/373965192.db2.gz LQHZHSDJJCYXDO-CYBMUJFWSA-N 0 1 287.407 2.515 20 30 CFEDMN CCN(CCCOc1ccc([N+](=O)[O-])cc1)C[C@@H](C)C#N ZINC000066424553 373929989 /nfs/dbraw/zinc/92/99/89/373929989.db2.gz RTZFMTCIJCFXST-ZDUSSCGKSA-N 0 1 291.351 2.845 20 30 CFEDMN C[C@H](c1ccc(-n2cncn2)cc1)[N@@H+](C)CCCC#N ZINC000067443850 373979440 /nfs/dbraw/zinc/97/94/40/373979440.db2.gz YAPHFRBLMFONQY-CYBMUJFWSA-N 0 1 269.352 2.564 20 30 CFEDMN C=CCSCCNC(=O)[C@H]1CCCC[N@H+]1C1CCCC1 ZINC000431807667 383698342 /nfs/dbraw/zinc/69/83/42/383698342.db2.gz HRXGYWCEMVUPSA-OAHLLOKOSA-N 0 1 296.480 2.819 20 30 CFEDMN CC(C)C[C@@H]1CCN(CC(=O)Nc2cccc(C#N)c2)C1 ZINC000072492150 374258366 /nfs/dbraw/zinc/25/83/66/374258366.db2.gz FLHCEBKHHSFRJW-HNNXBMFYSA-N 0 1 285.391 2.865 20 30 CFEDMN C[C@H](C1CC1)N(C)CC(=O)Nc1cc(Cl)ccc1C#N ZINC000073778979 374382974 /nfs/dbraw/zinc/38/29/74/374382974.db2.gz FWTICOGONGTXAW-SNVBAGLBSA-N 0 1 291.782 2.880 20 30 CFEDMN C=C(C)[C@@H](CO)N(C)Cc1ccc(Cl)c(F)c1 ZINC000678049628 541942027 /nfs/dbraw/zinc/94/20/27/541942027.db2.gz NIZRSZBAWYPUGS-CYBMUJFWSA-N 0 1 257.736 2.848 20 30 CFEDMN C=CCN(CC=C)C(=O)[C@H](C)N(C)CCc1cccs1 ZINC000075965841 374514546 /nfs/dbraw/zinc/51/45/46/374514546.db2.gz BFYGJYIWYKCDOY-AWEZNQCLSA-N 0 1 292.448 2.812 20 30 CFEDMN C=CCN(CC=C)C(=O)[C@@H](C)N(C)CCc1cccs1 ZINC000075965843 374515226 /nfs/dbraw/zinc/51/52/26/374515226.db2.gz BFYGJYIWYKCDOY-CQSZACIVSA-N 0 1 292.448 2.812 20 30 CFEDMN CCN(C[C@H](C)C#N)C(=O)CN(C)[C@@H]1CCc2ccccc21 ZINC000076872870 374559234 /nfs/dbraw/zinc/55/92/34/374559234.db2.gz QCSOTRWRQHJKTD-RHSMWYFYSA-N 0 1 299.418 2.614 20 30 CFEDMN CCCCCCN1CCN(c2ncccc2C#N)CC1 ZINC000077248058 374559815 /nfs/dbraw/zinc/55/98/15/374559815.db2.gz PHNADOMFZBFXDO-UHFFFAOYSA-N 0 1 272.396 2.656 20 30 CFEDMN CC(C)N(CC(=O)Nc1sccc1C#N)C1CCC1 ZINC000077358051 374560968 /nfs/dbraw/zinc/56/09/68/374560968.db2.gz PGJIHKDIBGCGQN-UHFFFAOYSA-N 0 1 277.393 2.821 20 30 CFEDMN N#Cc1ccc([C@H](O)CN2CCC[C@H](C(F)(F)F)C2)cc1 ZINC000088420253 374845654 /nfs/dbraw/zinc/84/56/54/374845654.db2.gz ZHDHHKKSXDYNST-UONOGXRCSA-N 0 1 298.308 2.866 20 30 CFEDMN N#CCCN(CC1CC1)C(=O)c1ccc(O)c(Cl)c1 ZINC000088406019 374846124 /nfs/dbraw/zinc/84/61/24/374846124.db2.gz NZDWEDMOIDOAJT-UHFFFAOYSA-N 0 1 278.739 2.811 20 30 CFEDMN N#Cc1ccc([C@@H](O)CN2CCC[C@H](C(F)(F)F)C2)cc1 ZINC000088420254 374846407 /nfs/dbraw/zinc/84/64/07/374846407.db2.gz ZHDHHKKSXDYNST-KBPBESRZSA-N 0 1 298.308 2.866 20 30 CFEDMN CN(Cc1cc(C#N)cs1)C[C@@H]1CCCCO1 ZINC000092428732 375111203 /nfs/dbraw/zinc/11/12/03/375111203.db2.gz APVHXCSAJRCTOP-LBPRGKRZSA-N 0 1 250.367 2.621 20 30 CFEDMN CCc1nn(C)cc1CN[C@H](C)c1ccc(C#N)cc1 ZINC000092367799 375104622 /nfs/dbraw/zinc/10/46/22/375104622.db2.gz AOLQJNCGHVXKRU-GFCCVEGCSA-N 0 1 268.364 2.705 20 30 CFEDMN C=CCCO[C@@H](C)C(=O)Nc1ccc2c(C)[nH]nc2c1 ZINC000091835898 375066767 /nfs/dbraw/zinc/06/67/67/375066767.db2.gz PJXVSBUVMSILRH-NSHDSACASA-N 0 1 273.336 2.791 20 30 CFEDMN N#Cc1csc(CN2CCC(n3ccnc3)CC2)c1 ZINC000092659232 375134409 /nfs/dbraw/zinc/13/44/09/375134409.db2.gz GCOCKZYFAMUQHJ-UHFFFAOYSA-N 0 1 272.377 2.653 20 30 CFEDMN C=CCCS(=O)(=O)Nc1cccc2cccnc21 ZINC000096659680 375491433 /nfs/dbraw/zinc/49/14/33/375491433.db2.gz UZTNQQVOUXNFFU-UHFFFAOYSA-N 0 1 262.334 2.553 20 30 CFEDMN N#Cc1cc(F)ccc1CN(C[C@@H]1CCOC1)C1CC1 ZINC000103140623 375716772 /nfs/dbraw/zinc/71/67/72/375716772.db2.gz MXCSDJYJWUPVST-LBPRGKRZSA-N 0 1 274.339 2.698 20 30 CFEDMN CC(C)(C)CN(CCC#N)C(=O)c1[nH]nc2ccccc21 ZINC000104626234 375784605 /nfs/dbraw/zinc/78/46/05/375784605.db2.gz WYRVBQCXYYQJSL-UHFFFAOYSA-N 0 1 284.363 2.965 20 30 CFEDMN N#CCCN(Cc1ccccc1)CC1CCOCC1 ZINC000111261698 375835072 /nfs/dbraw/zinc/83/50/72/375835072.db2.gz KMOZEFLOMWLIPF-UHFFFAOYSA-N 0 1 258.365 2.829 20 30 CFEDMN C=CC1CCN([C@@H](C)C(=O)Nc2ccnn2C(C)C)CC1 ZINC000111258276 375836121 /nfs/dbraw/zinc/83/61/21/375836121.db2.gz IZXUXHWVIFIXNV-ZDUSSCGKSA-N 0 1 290.411 2.689 20 30 CFEDMN C=CC1CCN([C@H](C)C(=O)Nc2ccnn2C(C)C)CC1 ZINC000111258273 375836563 /nfs/dbraw/zinc/83/65/63/375836563.db2.gz IZXUXHWVIFIXNV-CYBMUJFWSA-N 0 1 290.411 2.689 20 30 CFEDMN C=C(C)[C@@H](CO)N[C@@H](CC)c1cc(F)ccc1F ZINC000678784275 542069460 /nfs/dbraw/zinc/06/94/60/542069460.db2.gz ZTEZHPZSDBNXQJ-UONOGXRCSA-N 0 1 255.308 2.943 20 30 CFEDMN CCCCCN(CCO)Cc1cn2ccccc2c1C#N ZINC000112411777 375917596 /nfs/dbraw/zinc/91/75/96/375917596.db2.gz RIGHQJLDSAWDGY-UHFFFAOYSA-N 0 1 285.391 2.795 20 30 CFEDMN CC(C)(C)CN(CCC#N)C(=O)c1cccc2n[nH]cc21 ZINC000264213741 383710626 /nfs/dbraw/zinc/71/06/26/383710626.db2.gz GCXNGWHLBVNUBJ-UHFFFAOYSA-N 0 1 284.363 2.965 20 30 CFEDMN C=C(C)CN(CC)CC(=O)NCc1ccc(Cl)s1 ZINC000114712490 376082043 /nfs/dbraw/zinc/08/20/43/376082043.db2.gz BTXOPJWHOFEFEM-UHFFFAOYSA-N 0 1 286.828 2.916 20 30 CFEDMN CC(C)[C@@H]1CCCN([C@H](C(N)=O)c2ccc(C#N)cc2)CC1 ZINC000115545280 376136546 /nfs/dbraw/zinc/13/65/46/376136546.db2.gz SMYZNFBJLGLQIO-WBVHZDCISA-N 0 1 299.418 2.843 20 30 CFEDMN CC(C)N(Cc1ccc(C#N)cc1)C[C@@H](O)C(F)(F)F ZINC000121088230 376758528 /nfs/dbraw/zinc/75/85/28/376758528.db2.gz WTFKNFBPPVHMJM-CYBMUJFWSA-N 0 1 286.297 2.692 20 30 CFEDMN C=CCC(CC=C)C(=O)N1CCN(C2CCCC2)CC1 ZINC000122566876 376932828 /nfs/dbraw/zinc/93/28/28/376932828.db2.gz FGWHVLUYPUWXSU-UHFFFAOYSA-N 0 1 276.424 2.842 20 30 CFEDMN CCSCCN1CCN(c2cccc(F)c2C#N)CC1 ZINC000122767988 376936029 /nfs/dbraw/zinc/93/60/29/376936029.db2.gz MEKJUWVNLHEJFD-UHFFFAOYSA-N 0 1 293.411 2.572 20 30 CFEDMN CCN(CC)[C@@H](C(=O)N(C)C[C@H](C)C#N)c1ccccc1 ZINC000264257349 383716393 /nfs/dbraw/zinc/71/63/93/383716393.db2.gz SEGCULMVJPRXSN-GDBMZVCRSA-N 0 1 287.407 2.688 20 30 CFEDMN C#C[C@H](C)NCc1cc(Cl)c2c(c1)OCCCO2 ZINC000123009896 376944348 /nfs/dbraw/zinc/94/43/48/376944348.db2.gz SHHAKEZWBZZSBB-JTQLQIEISA-N 0 1 265.740 2.613 20 30 CFEDMN CC#CCSc1nc(-c2ccc(OC)cc2)n[nH]1 ZINC000123815851 376982266 /nfs/dbraw/zinc/98/22/66/376982266.db2.gz RTRIYYQIUAATOL-UHFFFAOYSA-N 0 1 259.334 2.596 20 30 CFEDMN N#C[C@@H](c1ccccc1)[C@H]1CCCN1CCC1OCCO1 ZINC000124503777 377055788 /nfs/dbraw/zinc/05/57/88/377055788.db2.gz GIGKYLKCAJRAHC-JKSUJKDBSA-N 0 1 286.375 2.521 20 30 CFEDMN CC#CCN(C)C[C@@H](O)COc1ccc2ccccc2c1 ZINC000571705045 383719628 /nfs/dbraw/zinc/71/96/28/383719628.db2.gz LGPCSUICBMYVKA-QGZVFWFLSA-N 0 1 283.371 2.535 20 30 CFEDMN C[C@@H]1CCN(Cc2ccc(F)c(C#N)c2)C[C@@H]1n1ccnc1 ZINC000129440069 377427919 /nfs/dbraw/zinc/42/79/19/377427919.db2.gz PFXBTFSBZOYYRY-DYVFJYSZSA-N 0 1 298.365 2.977 20 30 CFEDMN N#Cc1ccccc1N1CCCN(Cc2ccncc2)CC1 ZINC000130238592 377525965 /nfs/dbraw/zinc/52/59/65/377525965.db2.gz AVWUPXPOZFVCCZ-UHFFFAOYSA-N 0 1 292.386 2.666 20 30 CFEDMN CCN(C)C(=O)CCN1CCC[C@@H]1[C@@H](C#N)c1ccccc1 ZINC000130579428 377580609 /nfs/dbraw/zinc/58/06/09/377580609.db2.gz WUKGCKWIZORSLX-DLBZAZTESA-N 0 1 299.418 2.627 20 30 CFEDMN C=CCOCCN[C@@H]1CCc2c1c(F)ccc2F ZINC000679463263 542192815 /nfs/dbraw/zinc/19/28/15/542192815.db2.gz SKLFIASXGWMZHN-CYBMUJFWSA-N 0 1 253.292 2.744 20 30 CFEDMN N#CCC[C@@H](C#N)CN1CC[C@@H](Cc2ccccc2)C1 ZINC000130887919 377626879 /nfs/dbraw/zinc/62/68/79/377626879.db2.gz FQJHLSVGJAICEU-IRXDYDNUSA-N 0 1 267.376 2.995 20 30 CFEDMN N#CCc1ccc(NC(=O)[C@@H]2CCCc3[nH]ncc32)cc1 ZINC000132265372 377820728 /nfs/dbraw/zinc/82/07/28/377820728.db2.gz IGJJUCMCBUISPD-CYBMUJFWSA-N 0 1 280.331 2.534 20 30 CFEDMN CCN(CC(=O)N(CC)C[C@@H](C)C#N)Cc1ccccc1 ZINC000132583845 377855808 /nfs/dbraw/zinc/85/58/08/377855808.db2.gz TZTPZSWYLUIVFR-HNNXBMFYSA-N 0 1 287.407 2.517 20 30 CFEDMN CC[C@@H](CC#N)NCc1cc(Br)ccc1O ZINC000135041495 378078199 /nfs/dbraw/zinc/07/81/99/378078199.db2.gz KXTWIZRVIRQHRY-NSHDSACASA-N 0 1 283.169 2.937 20 30 CFEDMN Cc1sc(NC(=O)CN(C)CCC2CC2)c(C#N)c1C ZINC000135312582 378115558 /nfs/dbraw/zinc/11/55/58/378115558.db2.gz YVVNZURXIRVWJP-UHFFFAOYSA-N 0 1 291.420 2.907 20 30 CFEDMN CN(Cc1ccc(F)c(C#N)c1)[C@@H]1CCCc2c1cnn2C ZINC000135619534 378151405 /nfs/dbraw/zinc/15/14/05/378151405.db2.gz JZIXUSFPVYVVTN-MRXNPFEDSA-N 0 1 298.365 2.940 20 30 CFEDMN CN(Cc1ccccc1C(C)(C)C#N)[C@@H]1CCCCNC1=O ZINC000135178278 378095264 /nfs/dbraw/zinc/09/52/64/378095264.db2.gz DMEZKKHMTDLOQG-MRXNPFEDSA-N 0 1 299.418 2.588 20 30 CFEDMN Cn1ncc2c1CCC[C@@H]2NCc1ccc(C#N)s1 ZINC000135679065 378156357 /nfs/dbraw/zinc/15/63/57/378156357.db2.gz SJHQIQFZPIWVKY-ZDUSSCGKSA-N 0 1 272.377 2.520 20 30 CFEDMN C[C@@H](C#N)Sc1nc(-c2ccc3c(c2)CCC3)n[nH]1 ZINC000151213722 378308613 /nfs/dbraw/zinc/30/86/13/378308613.db2.gz FGFWNILVKMFKOP-VIFPVBQESA-N 0 1 270.361 2.965 20 30 CFEDMN Cc1nnc(NC(=O)[C@H](C)N2CCCCCC2)n1C1CC1 ZINC000328992592 378446663 /nfs/dbraw/zinc/44/66/63/378446663.db2.gz FVHDMJUVVPXESF-NSHDSACASA-N 0 1 291.399 2.774 20 30 CFEDMN C[C@H](Cn1cccn1)[NH+]=C([O-])N1CCCC12CCCCC2 ZINC000328814162 378427295 /nfs/dbraw/zinc/42/72/95/378427295.db2.gz GEFBFDSBHNJHIG-CQSZACIVSA-N 0 1 290.411 2.984 20 30 CFEDMN CCc1nc([C@H](C)NC(=O)NC2C[C@H](C)C[C@@H](C)C2)n[nH]1 ZINC000328912814 378439265 /nfs/dbraw/zinc/43/92/65/378439265.db2.gz HNTWMKUUHGEROU-MXWKQRLJSA-N 0 1 293.415 2.756 20 30 CFEDMN Cc1cc(C[C@H](C)NC(=O)[C@@H]2CCC(=O)[C@@H](C)C2)n[nH]1 ZINC000328926423 378440925 /nfs/dbraw/zinc/44/09/25/378440925.db2.gz FGFUWZAXWNKYDS-JBLDHEPKSA-N 0 1 277.368 2.611 20 30 CFEDMN C[C@H](NC(=O)C[C@H]1CCCCC(=O)N1)C1=CC[N@@H+](C)CC1 ZINC000329821618 378501369 /nfs/dbraw/zinc/50/13/69/378501369.db2.gz GUHMCJPIPDETRN-GXTWGEPZSA-N 0 1 293.411 2.883 20 30 CFEDMN COCC#CCN1[C@H](C)Cc2cc(OC)ccc2[C@H]1C ZINC000679834907 542239740 /nfs/dbraw/zinc/23/97/40/542239740.db2.gz WHPQYMFSJMBODG-ZIAGYGMSSA-N 0 1 273.376 2.653 20 30 CFEDMN N#CC(C(N)=O)c1nc(-c2ccc(Cl)cc2)cs1 ZINC000155672513 378630677 /nfs/dbraw/zinc/63/06/77/378630677.db2.gz SRFCLNJYFWOYNW-VIFPVBQESA-N 0 1 277.736 2.556 20 30 CFEDMN N#CC(C(N)=O)c1nc(-c2ccc(Cl)cc2)cs1 ZINC000155672613 378630784 /nfs/dbraw/zinc/63/07/84/378630784.db2.gz SRFCLNJYFWOYNW-SECBINFHSA-N 0 1 277.736 2.556 20 30 CFEDMN C#CCN(CC[S@@](=O)c1ccccc1)C1CCCC1 ZINC000155770801 378632314 /nfs/dbraw/zinc/63/23/14/378632314.db2.gz JHWCAOYLIQDRMV-IBGZPJMESA-N 0 1 275.417 2.672 20 30 CFEDMN Fc1ccc(C#CCN2CCC[C@H](n3cccn3)C2)cc1 ZINC000158078395 378663912 /nfs/dbraw/zinc/66/39/12/378663912.db2.gz RHCVWXXPONQRHG-KRWDZBQOSA-N 0 1 283.350 2.711 20 30 CFEDMN CCc1nc(CN2CCC[C@H]2[C@@H](C#N)c2ccccc2)n[nH]1 ZINC000158757602 378673381 /nfs/dbraw/zinc/67/33/81/378673381.db2.gz YAWQZNKDHXRHLS-GJZGRUSLSA-N 0 1 295.390 2.639 20 30 CFEDMN C[C@H]1CCN(Cc2nnc(-c3cccc(C#N)c3)o2)[C@H]1C ZINC000332185908 378733686 /nfs/dbraw/zinc/73/36/86/378733686.db2.gz WTXKCOKDKNGIRT-RYUDHWBXSA-N 0 1 282.347 2.839 20 30 CFEDMN Cc1cccc2nc(CNC(=O)C3(C#N)CCCCC3)[nH]c21 ZINC000160256377 378759238 /nfs/dbraw/zinc/75/92/38/378759238.db2.gz MNRFAMFCGDDPIF-UHFFFAOYSA-N 0 1 296.374 2.962 20 30 CFEDMN C=CCNc1nnc(SCCN2CCC(C)CC2)s1 ZINC000162017973 378887352 /nfs/dbraw/zinc/88/73/52/378887352.db2.gz JKUNPIZEBZLIRR-UHFFFAOYSA-N 0 1 298.481 2.960 20 30 CFEDMN N#Cc1ccc(F)cc1CN1CC[C@H](C2CCOCC2)C1 ZINC000334207738 378927021 /nfs/dbraw/zinc/92/70/21/378927021.db2.gz DVMIUEXUINXJEF-HNNXBMFYSA-N 0 1 288.366 2.946 20 30 CFEDMN N#Cc1cccc(CN2CCC[C@@H]2[C@H]2CCCO2)c1F ZINC000335316147 379072132 /nfs/dbraw/zinc/07/21/32/379072132.db2.gz IIFGQDQHAMGCDK-HUUCEWRRSA-N 0 1 274.339 2.841 20 30 CFEDMN C[C@@H]1CCC[N@@H+](Cc2cnc3ccc(C#N)cn23)[C@H]1C ZINC000334368501 379171735 /nfs/dbraw/zinc/17/17/35/379171735.db2.gz SMLUXZSFVOEKJM-OLZOCXBDSA-N 0 1 268.364 2.826 20 30 CFEDMN C[C@H]1[C@H](C)N(C(=O)c2ccc(C(C)(C)C#N)cc2)CCN1C ZINC000335403862 379228731 /nfs/dbraw/zinc/22/87/31/379228731.db2.gz UAWKYCDYHCMIAT-KBPBESRZSA-N 0 1 299.418 2.652 20 30 CFEDMN C=C(C)CN(CC)CCCS(=O)(=O)c1ccccc1 ZINC000171342802 379286264 /nfs/dbraw/zinc/28/62/64/379286264.db2.gz FUGLUXZRMRUOCQ-UHFFFAOYSA-N 0 1 281.421 2.748 20 30 CFEDMN CC1(C)[C@@H](O)CC[N@H+]1Cc1ccc(C#N)cc1C(F)(F)F ZINC000334435240 379294218 /nfs/dbraw/zinc/29/42/18/379294218.db2.gz YZRLOYPHHWCKCU-ZDUSSCGKSA-N 0 1 298.308 2.922 20 30 CFEDMN CC1(C)[C@@H](O)CCN1Cc1ccc(C#N)cc1C(F)(F)F ZINC000334435240 379294220 /nfs/dbraw/zinc/29/42/20/379294220.db2.gz YZRLOYPHHWCKCU-ZDUSSCGKSA-N 0 1 298.308 2.922 20 30 CFEDMN C#Cc1cccc(NC(=O)CN(C)CCCC=C)c1 ZINC000172176080 379512399 /nfs/dbraw/zinc/51/23/99/379512399.db2.gz SEIJALZRNOCRBA-UHFFFAOYSA-N 0 1 256.349 2.504 20 30 CFEDMN C=CCN(CC=C)C[C@@H]1CN(c2ccccc2)C(=O)O1 ZINC000172807199 379648925 /nfs/dbraw/zinc/64/89/25/379648925.db2.gz GHGJFYKUABRHBJ-OAHLLOKOSA-N 0 1 272.348 2.686 20 30 CFEDMN N#Cc1cc(F)ccc1CN1CC[C@@H](O)C12CCCC2 ZINC000335697645 379741400 /nfs/dbraw/zinc/74/14/00/379741400.db2.gz VKSVXDGXXZHWRI-OAHLLOKOSA-N 0 1 274.339 2.577 20 30 CFEDMN Cn1ncc2c1CCC[C@@H]2NCc1ccc(C#N)c(F)c1 ZINC000334671109 379742844 /nfs/dbraw/zinc/74/28/44/379742844.db2.gz NMQHZFLPTZSXOR-HNNXBMFYSA-N 0 1 284.338 2.598 20 30 CFEDMN C[C@@H]1OCC[C@]1(C)NCc1ccc(Cl)cc1C#N ZINC000334707177 379800964 /nfs/dbraw/zinc/80/09/64/379800964.db2.gz HJYCRFZEZJKOLC-HZMBPMFUSA-N 0 1 264.756 2.869 20 30 CFEDMN N#Cc1ccc(C[N@@H+]2CCC[C@@H](O)CC2)c(Cl)c1 ZINC000335721948 379784030 /nfs/dbraw/zinc/78/40/30/379784030.db2.gz PJUBWLYCEWCHOY-CYBMUJFWSA-N 0 1 264.756 2.558 20 30 CFEDMN N#Cc1ccc(CN2CCC[C@@H](O)CC2)c(Cl)c1 ZINC000335721948 379784036 /nfs/dbraw/zinc/78/40/36/379784036.db2.gz PJUBWLYCEWCHOY-CYBMUJFWSA-N 0 1 264.756 2.558 20 30 CFEDMN C[C@@H](NCc1ccc(C#N)o1)[C@H](O)c1ccc(F)cc1 ZINC000174401984 379878081 /nfs/dbraw/zinc/87/80/81/379878081.db2.gz OJULEPQYVBQYHY-BMIGLBTASA-N 0 1 274.295 2.502 20 30 CFEDMN Cc1ccc2nc(CNC(=O)c3sccc3C#N)[nH]c2c1 ZINC000174875304 379956073 /nfs/dbraw/zinc/95/60/73/379956073.db2.gz UDAUFBJJWLTNOB-UHFFFAOYSA-N 0 1 296.355 2.735 20 30 CFEDMN Cc1ccc2nc(CNC(=O)c3cccc(C#N)c3)[nH]c2c1 ZINC000174897434 379959017 /nfs/dbraw/zinc/95/90/17/379959017.db2.gz QZIXFGJFMQFYAQ-UHFFFAOYSA-N 0 1 290.326 2.673 20 30 CFEDMN C=CCCCC(=O)NC[C@@H](c1cccc(OC)c1)N(C)C ZINC000175096505 379996107 /nfs/dbraw/zinc/99/61/07/379996107.db2.gz IFIYEMWIRWFNFB-INIZCTEOSA-N 0 1 290.407 2.770 20 30 CFEDMN N#Cc1cc(F)ccc1CN1CC[C@H]([C@H]2CCOC2)C1 ZINC000335856388 380002067 /nfs/dbraw/zinc/00/20/67/380002067.db2.gz QZJIENFJXDYLGA-KBPBESRZSA-N 0 1 274.339 2.556 20 30 CFEDMN C[C@H](c1ccc([S@@](C)=O)cc1)N(C)CCCC#N ZINC000175395156 380057588 /nfs/dbraw/zinc/05/75/88/380057588.db2.gz BTICISYNDVHHPQ-KZULUSFZSA-N 0 1 264.394 2.721 20 30 CFEDMN N#Cc1ccc(CN2C[C@@H](O)C[C@H]2c2ccccc2)s1 ZINC000335247236 380076039 /nfs/dbraw/zinc/07/60/39/380076039.db2.gz WNTLWUJIYCUQLK-BBRMVZONSA-N 0 1 284.384 2.928 20 30 CFEDMN C=CCCCC(=O)NCc1ccc(F)c(CN(C)C)c1 ZINC000175684868 380111753 /nfs/dbraw/zinc/11/17/53/380111753.db2.gz IYXGMOOQIQJVRM-UHFFFAOYSA-N 0 1 278.371 2.860 20 30 CFEDMN COc1ccc(C#N)cc1C[N@H+]1CCSCC[C@H]1C ZINC000336327504 380322782 /nfs/dbraw/zinc/32/27/82/380322782.db2.gz OJLJBUSTSDJVAI-GFCCVEGCSA-N 0 1 276.405 2.894 20 30 CFEDMN C[C@H]1C[C@]1(C#N)C(=O)Nc1cc(F)cc(Cl)c1O ZINC000336265221 380302030 /nfs/dbraw/zinc/30/20/30/380302030.db2.gz AEUPROZOWYMTSY-PWCHPLFNSA-N 0 1 268.675 2.673 20 30 CFEDMN N#Cc1csc(CNCc2ccc(N3CCCC3)nc2)c1 ZINC000177684338 380367952 /nfs/dbraw/zinc/36/79/52/380367952.db2.gz UZKUFESFZLIUGP-UHFFFAOYSA-N 0 1 298.415 2.905 20 30 CFEDMN N#Cc1ccc(F)cc1CN1CCC[C@@H]([C@H]2CCOC2)C1 ZINC000336530489 380421483 /nfs/dbraw/zinc/42/14/83/380421483.db2.gz SNHNNYRCCNEYBZ-CABCVRRESA-N 0 1 288.366 2.946 20 30 CFEDMN CC(C)[C@@H](NCCCSCC#N)c1nc(C2CC2)no1 ZINC000179827423 380584170 /nfs/dbraw/zinc/58/41/70/380584170.db2.gz WSIHMTYGBIZTKP-GFCCVEGCSA-N 0 1 294.424 2.881 20 30 CFEDMN C=CCNC(=O)CNC1(c2ccc(F)cc2F)CCCC1 ZINC000181251583 380764765 /nfs/dbraw/zinc/76/47/65/380764765.db2.gz RAAGLYFYYBGNJQ-UHFFFAOYSA-N 0 1 294.345 2.626 20 30 CFEDMN C=CCC(C)(C)CNC(=O)N1CCN(C)[C@H](C(C)C)C1 ZINC000432579693 383749225 /nfs/dbraw/zinc/74/92/25/383749225.db2.gz LIKWFTNHNWVZPW-AWEZNQCLSA-N 0 1 281.444 2.570 20 30 CFEDMN N#CCCCCN1CCO[C@@H](Cc2ccccc2)C1 ZINC000181521393 380814710 /nfs/dbraw/zinc/81/47/10/380814710.db2.gz QVQWNCVYHXWNLK-INIZCTEOSA-N 0 1 258.365 2.624 20 30 CFEDMN CCC[C@]1(CO)CCN(Cc2ccccc2C#N)C1 ZINC000367984696 380875281 /nfs/dbraw/zinc/87/52/81/380875281.db2.gz YAGATAUOIIKAQE-INIZCTEOSA-N 0 1 258.365 2.543 20 30 CFEDMN CC[C@@H](C)NC(=O)CCN[C@@H](C)c1ccc(C#N)cc1F ZINC000358558770 380925439 /nfs/dbraw/zinc/92/54/39/380925439.db2.gz DDESQZATWXUAGU-NEPJUHHUSA-N 0 1 291.370 2.653 20 30 CFEDMN Cc1ccc(-c2n[nH]c(NC(=O)c3c[nH]c(C#N)c3)c2C)o1 ZINC000181896666 380928859 /nfs/dbraw/zinc/92/88/59/380928859.db2.gz LCVZMECWYQUCCZ-UHFFFAOYSA-N 0 1 295.302 2.739 20 30 CFEDMN C[C@@H](NCc1ccn(C)c1)c1ccc(C#N)cc1F ZINC000358563393 380929701 /nfs/dbraw/zinc/92/97/01/380929701.db2.gz WLAWOVYTZVNQIY-LLVKDONJSA-N 0 1 257.312 2.887 20 30 CFEDMN C[C@H](C(=O)Nc1cccc(C#N)c1)N1C[C@H]2CCCC[C@H]21 ZINC000368001836 380881547 /nfs/dbraw/zinc/88/15/47/380881547.db2.gz RJOIFRMFAXMJFJ-XNRPHZJLSA-N 0 1 283.375 2.760 20 30 CFEDMN C=C(CC)CN(CCO)Cc1cnn(Cc2ccccc2)c1 ZINC000358512650 380895836 /nfs/dbraw/zinc/89/58/36/380895836.db2.gz UDMOURNBNJHPJA-UHFFFAOYSA-N 0 1 299.418 2.692 20 30 CFEDMN COC[C@H]1CCCCN1Cc1ccc(C#N)c(F)c1 ZINC000404096001 380900389 /nfs/dbraw/zinc/90/03/89/380900389.db2.gz WBLOKMAWLQRHTK-CQSZACIVSA-N 0 1 262.328 2.698 20 30 CFEDMN C[C@H](NCc1ccc(F)c(C#N)c1)c1ccccn1 ZINC000181801100 380901308 /nfs/dbraw/zinc/90/13/08/380901308.db2.gz XDLXHEYTTJJKNH-NSHDSACASA-N 0 1 255.296 2.943 20 30 CFEDMN CCn1nc(C)c(CNCc2ccc(C#N)c(F)c2)c1C ZINC000404676806 380905742 /nfs/dbraw/zinc/90/57/42/380905742.db2.gz HJSPELZFZYWGMK-UHFFFAOYSA-N 0 1 286.354 2.820 20 30 CFEDMN CCN1C[C@H](C)N(Cc2cc(C#N)cs2)C[C@@H]1C ZINC000353860368 380909039 /nfs/dbraw/zinc/90/90/39/380909039.db2.gz DRWCMCLTMWYFAL-RYUDHWBXSA-N 0 1 263.410 2.534 20 30 CFEDMN N#CCCC[C@H](NCc1cc[nH]n1)c1ccccc1 ZINC000353915285 380954503 /nfs/dbraw/zinc/95/45/03/380954503.db2.gz NDASLDJIGPZPAJ-HNNXBMFYSA-N 0 1 254.337 2.934 20 30 CFEDMN CCN(Cc1ccc(Br)cc1C#N)C[C@H](C)O ZINC000347122992 380954909 /nfs/dbraw/zinc/95/49/09/380954909.db2.gz BTMWNZBQKYRLQC-JTQLQIEISA-N 0 1 297.196 2.523 20 30 CFEDMN C[C@@H](NCc1ccc(C(N)=O)cc1)c1ccc(C#N)cc1F ZINC000358578769 380945176 /nfs/dbraw/zinc/94/51/76/380945176.db2.gz WONDNRNIKHULDH-LLVKDONJSA-N 0 1 297.333 2.647 20 30 CFEDMN C[C@@H](CCC#N)N1CCCN(C(=O)CC2CCCC2)CC1 ZINC000411166907 381012092 /nfs/dbraw/zinc/01/20/92/381012092.db2.gz VSCQUZUIIRXKMB-HNNXBMFYSA-N 0 1 291.439 2.793 20 30 CFEDMN C=C(C)CN(CC)[C@@H]1CCN(c2ccc(F)cc2)C1=O ZINC000411152783 381012759 /nfs/dbraw/zinc/01/27/59/381012759.db2.gz HYHYDXJYFIATLY-OAHLLOKOSA-N 0 1 276.355 2.829 20 30 CFEDMN C=CCN(CCc1ccccc1)[C@@H](C)c1n[nH]c(C)n1 ZINC000411190032 381015207 /nfs/dbraw/zinc/01/52/07/381015207.db2.gz HCKQRNWZJRSICZ-ZDUSSCGKSA-N 0 1 270.380 2.905 20 30 CFEDMN CCCN(C[C@@H](C#N)CCC#N)C[C@H]1CCCCO1 ZINC000411370956 381022555 /nfs/dbraw/zinc/02/25/55/381022555.db2.gz WDJWAYNVYDSMTK-HUUCEWRRSA-N 0 1 263.385 2.711 20 30 CFEDMN N#Cc1cccc(NC(=O)c2cc3[nH]cnc3cc2F)c1 ZINC000341400042 380993687 /nfs/dbraw/zinc/99/36/87/380993687.db2.gz AMBFQTGLSJKAAO-UHFFFAOYSA-N 0 1 280.262 2.826 20 30 CFEDMN C[C@@H](CCC#N)N1CCC(c2noc(C3CC3)n2)CC1 ZINC000411554491 381031038 /nfs/dbraw/zinc/03/10/38/381031038.db2.gz QTQOHSHGVUSSOS-NSHDSACASA-N 0 1 274.368 2.819 20 30 CFEDMN C#C[C@H](NCc1cccc2c1OCCCO2)C(C)C ZINC000289628152 381074481 /nfs/dbraw/zinc/07/44/81/381074481.db2.gz WSBXIZOGVQPROV-AWEZNQCLSA-N 0 1 259.349 2.595 20 30 CFEDMN CO[C@](C)([C@@H](C)NCc1ccc(F)cc1C#N)C1CC1 ZINC000411947539 381066735 /nfs/dbraw/zinc/06/67/35/381066735.db2.gz MJDSHZRBAHSIQW-BDJLRTHQSA-N 0 1 276.355 2.991 20 30 CFEDMN C=C[C@H](CO)N[C@H](C)c1sc(C(C)C)nc1C ZINC000289627775 381074945 /nfs/dbraw/zinc/07/49/45/381074945.db2.gz FAHNCYUYZVMCAF-MWLCHTKSSA-N 0 1 254.399 2.772 20 30 CFEDMN C=C[C@@H](CO)N[C@@H](C)c1ccc(Br)cc1F ZINC000289655337 381088306 /nfs/dbraw/zinc/08/83/06/381088306.db2.gz GLWQEUFUXBZTBH-WPRPVWTQSA-N 0 1 288.160 2.786 20 30 CFEDMN C[C@H]1CN(CCOc2ccccc2C#N)CCC1(F)F ZINC000289655822 381088403 /nfs/dbraw/zinc/08/84/03/381088403.db2.gz DZYYDFLEIMLBLE-LBPRGKRZSA-N 0 1 280.318 2.914 20 30 CFEDMN CC[C@@H]1CN(C(C)=O)[C@H](CC)CN1Cc1ccc(C#N)cc1 ZINC000354119653 381092318 /nfs/dbraw/zinc/09/23/18/381092318.db2.gz JCHNVVCCIMGAKC-QZTJIDSGSA-N 0 1 299.418 2.780 20 30 CFEDMN COC1([C@H](C)NCc2ccc(F)cc2C#N)CCC1 ZINC000412020643 381093026 /nfs/dbraw/zinc/09/30/26/381093026.db2.gz JOFVIPFAQFCKPA-NSHDSACASA-N 0 1 262.328 2.745 20 30 CFEDMN COC1([C@H](C)NCc2cccc(F)c2C#N)CCC1 ZINC000412027044 381102537 /nfs/dbraw/zinc/10/25/37/381102537.db2.gz UQERXRYWDCWTMG-NSHDSACASA-N 0 1 262.328 2.745 20 30 CFEDMN N#Cc1cc(F)ccc1CN1CCCC[C@H]1c1nnc[nH]1 ZINC000182694313 381140493 /nfs/dbraw/zinc/14/04/93/381140493.db2.gz XFYJBKOFVIKDQU-AWEZNQCLSA-N 0 1 285.326 2.543 20 30 CFEDMN Cn1cc(CN2CCC[C@@H]2c2ccncc2)cc1C#N ZINC000289736646 381129024 /nfs/dbraw/zinc/12/90/24/381129024.db2.gz IENXJFUTAXQBKI-MRXNPFEDSA-N 0 1 266.348 2.629 20 30 CFEDMN C=CCN(C[C@@H]1CCC[C@H](CC)C1)[C@@H]1CCS(=O)(=O)C1 ZINC000183013055 381197960 /nfs/dbraw/zinc/19/79/60/381197960.db2.gz PREOOYHDAYRFOL-ARFHVFGLSA-N 0 1 299.480 2.878 20 30 CFEDMN C#CCn1ccc(CN(CC)CCCc2cnccc2C)n1 ZINC000289881554 381200138 /nfs/dbraw/zinc/20/01/38/381200138.db2.gz WRMRPCHGKMGFMD-UHFFFAOYSA-N 0 1 296.418 2.674 20 30 CFEDMN N#Cc1c(CN2CCCO[C@H]3CCC[C@H]32)cn2ccccc12 ZINC000369456039 381262796 /nfs/dbraw/zinc/26/27/96/381262796.db2.gz DWUAUCAUJHDVPJ-MSOLQXFVSA-N 0 1 295.386 2.954 20 30 CFEDMN C=C[C@H](CO)N[C@@H](C)c1ccccc1OC(F)(F)F ZINC000289939132 381224535 /nfs/dbraw/zinc/22/45/35/381224535.db2.gz VXFWITZXXHYPAY-VHSXEESVSA-N 0 1 275.270 2.783 20 30 CFEDMN C[C@@H]1[C@H](O)CCC[N@H+]1CC#Cc1ccc(Cl)cc1 ZINC000296198083 381297339 /nfs/dbraw/zinc/29/73/39/381297339.db2.gz LZJIWOAQWKRMNO-IUODEOHRSA-N 0 1 263.768 2.537 20 30 CFEDMN C[C@@H]1[C@H](O)CCCN1CC#Cc1ccc(Cl)cc1 ZINC000296198083 381297348 /nfs/dbraw/zinc/29/73/48/381297348.db2.gz LZJIWOAQWKRMNO-IUODEOHRSA-N 0 1 263.768 2.537 20 30 CFEDMN COc1ccc(CN[C@@H](C)c2cccc(C#N)c2)c(OC)n1 ZINC000290061855 381282388 /nfs/dbraw/zinc/28/23/88/381282388.db2.gz FPSQZJVAMXSKQA-LBPRGKRZSA-N 0 1 297.358 2.821 20 30 CFEDMN C#C[C@@H](NCc1ccc(OC)c(OC)c1OC)C(C)(C)C ZINC000290174488 381329816 /nfs/dbraw/zinc/32/98/16/381329816.db2.gz NEQGXGJDYKDOHK-CQSZACIVSA-N 0 1 291.391 2.850 20 30 CFEDMN CC[C@H](NCc1n[nH]c(C2CC2)n1)c1ccc(C#N)cc1 ZINC000296335441 381351844 /nfs/dbraw/zinc/35/18/44/381351844.db2.gz HNQRMCRLGAPWEJ-AWEZNQCLSA-N 0 1 281.363 2.795 20 30 CFEDMN Cc1n[nH]c(C)c1[C@@H]1CCCN1Cc1cc(C#N)n(C)c1 ZINC000290384244 381405103 /nfs/dbraw/zinc/40/51/03/381405103.db2.gz IIKMYOBFOQSPPP-HNNXBMFYSA-N 0 1 283.379 2.574 20 30 CFEDMN C[C@H](NCCOc1ccccc1C#N)c1nccs1 ZINC000184416087 381412849 /nfs/dbraw/zinc/41/28/49/381412849.db2.gz IJNFGOKIALNBMU-NSHDSACASA-N 0 1 273.361 2.744 20 30 CFEDMN C#CCC(C)(C)c1nc(-c2ccc3[nH]cnc3c2)no1 ZINC000288903984 197189144 /nfs/dbraw/zinc/18/91/44/197189144.db2.gz BPHLFDZGGCDAIS-UHFFFAOYSA-N 0 1 266.304 2.914 20 30 CFEDMN C=C(C)C[C@@H](C)C(=O)NCc1nc2ccc(F)cc2[nH]1 ZINC000184304118 381399510 /nfs/dbraw/zinc/39/95/10/381399510.db2.gz UVIPDTBBKVMKOC-SNVBAGLBSA-N 0 1 275.327 2.921 20 30 CFEDMN N#Cc1ccc(CNc2cc3c(cn2)CCCC3)cc1 ZINC000359467165 381424794 /nfs/dbraw/zinc/42/47/94/381424794.db2.gz LKXNTGXWDYKLKA-UHFFFAOYSA-N 0 1 263.344 2.866 20 30 CFEDMN CN(CC[C@@H]1CCCO1)Cc1cc(C#N)ccc1F ZINC000342607603 381431722 /nfs/dbraw/zinc/43/17/22/381431722.db2.gz QVQCSGQIXAEQPV-AWEZNQCLSA-N 0 1 262.328 2.698 20 30 CFEDMN CN(CC[C@H]1CCCO1)Cc1cc(C#N)ccc1F ZINC000342607604 381432557 /nfs/dbraw/zinc/43/25/57/381432557.db2.gz QVQCSGQIXAEQPV-CQSZACIVSA-N 0 1 262.328 2.698 20 30 CFEDMN CC#CCN1CCC[C@@H](OCc2ccccc2F)C1 ZINC000348230341 381474798 /nfs/dbraw/zinc/47/47/98/381474798.db2.gz NZCJPKABCCULTD-OAHLLOKOSA-N 0 1 261.340 2.830 20 30 CFEDMN C#CCOc1ccc(CN[C@H](C)c2nccnc2C)cc1 ZINC000296635362 381481420 /nfs/dbraw/zinc/48/14/20/381481420.db2.gz XSBAEGCBOJCPLV-CQSZACIVSA-N 0 1 281.359 2.648 20 30 CFEDMN C=CCOCCCN1CCOC[C@@H]1Cc1ccccc1 ZINC000348042070 381453736 /nfs/dbraw/zinc/45/37/36/381453736.db2.gz GDRZFIGOJMCLJP-KRWDZBQOSA-N 0 1 275.392 2.523 20 30 CFEDMN C=CCOCCCN1CCOC[C@H]1c1ccccc1 ZINC000348030881 381454569 /nfs/dbraw/zinc/45/45/69/381454569.db2.gz JPOPHMDSLWINRA-INIZCTEOSA-N 0 1 261.365 2.653 20 30 CFEDMN CCOC(=O)CN(CCCC(C)(C)C#N)C1CCC1 ZINC000342652522 381458714 /nfs/dbraw/zinc/45/87/14/381458714.db2.gz ZXOPSYUKYZPVEY-UHFFFAOYSA-N 0 1 266.385 2.734 20 30 CFEDMN CC(=O)c1ccc(C#N)c(N[C@H]2C[C@H](C)[N@H+](C3CC3)C2)c1 ZINC000290522351 381463614 /nfs/dbraw/zinc/46/36/14/381463614.db2.gz CNXVWLMJXDRVTA-NHYWBVRUSA-N 0 1 283.375 2.798 20 30 CFEDMN CC(=O)c1ccc(C#N)c(N[C@H]2C[C@H](C)N(C3CC3)C2)c1 ZINC000290522351 381463621 /nfs/dbraw/zinc/46/36/21/381463621.db2.gz CNXVWLMJXDRVTA-NHYWBVRUSA-N 0 1 283.375 2.798 20 30 CFEDMN CCc1nc(CN(Cc2ccc(C#N)cc2)CC(C)C)n[nH]1 ZINC000354809146 381464628 /nfs/dbraw/zinc/46/46/28/381464628.db2.gz RUDOVCBKXMNPLD-UHFFFAOYSA-N 0 1 297.406 2.897 20 30 CFEDMN CC(C)N1CCN([C@H](C#N)c2cccc(Cl)c2)CC1 ZINC000348328744 381510582 /nfs/dbraw/zinc/51/05/82/381510582.db2.gz VYRTVUKGYOFRNK-OAHLLOKOSA-N 0 1 277.799 2.931 20 30 CFEDMN C=CCN(Cc1n[nH]c(CC)n1)Cc1ccccc1 ZINC000185156408 381548735 /nfs/dbraw/zinc/54/87/35/381548735.db2.gz ULOMNDKAYVHBEU-UHFFFAOYSA-N 0 1 256.353 2.555 20 30 CFEDMN N#Cc1cc(F)ccc1CN[C@H]1CCC[C@H]1OC(F)F ZINC000348456414 381574976 /nfs/dbraw/zinc/57/49/76/381574976.db2.gz OAMOAOUGQFTINC-QWHCGFSZSA-N 0 1 284.281 2.947 20 30 CFEDMN Cc1c(C#N)cccc1NC(=O)Cc1n[nH]c2ccccc12 ZINC000355035958 381575840 /nfs/dbraw/zinc/57/58/40/381575840.db2.gz ZYUDLWKIQJBXIL-UHFFFAOYSA-N 0 1 290.326 2.924 20 30 CFEDMN C=CCC[C@@H](O)CN1CCN([C@H](C)c2ccsc2)CC1 ZINC000185451095 381636191 /nfs/dbraw/zinc/63/61/91/381636191.db2.gz GFIPMTMILWLEAE-GDBMZVCRSA-N 0 1 294.464 2.754 20 30 CFEDMN CCCCCCCCCNC(=O)[C@@H]1C[C@@H]1c1nc[nH]n1 ZINC000371570725 381661079 /nfs/dbraw/zinc/66/10/79/381661079.db2.gz DSFRDWZENNMUCB-QWHCGFSZSA-N 0 1 278.400 2.775 20 30 CFEDMN C=C(C)Cn1c([C@H](C)CC)nnc1N1CCN(CC)CC1 ZINC000291108558 381670303 /nfs/dbraw/zinc/67/03/03/381670303.db2.gz UTSHHSMBPUWFGT-CQSZACIVSA-N 0 1 291.443 2.510 20 30 CFEDMN N#CCCC[N@H+]1CC[C@@H](n2cc3ccccc3n2)C1 ZINC000371658924 381671817 /nfs/dbraw/zinc/67/18/17/381671817.db2.gz FLSWZYKZHGLMAO-CQSZACIVSA-N 0 1 254.337 2.587 20 30 CFEDMN N#Cc1ccc(CN[C@@H]2CCO[C@H]2c2cccnc2)c(F)c1 ZINC000343392469 381683109 /nfs/dbraw/zinc/68/31/09/381683109.db2.gz OWAYSUZXTOJFQS-SJORKVTESA-N 0 1 297.333 2.712 20 30 CFEDMN N#Cc1ccc(CN[C@@H]2CCO[C@@H]2c2cccnc2)c(F)c1 ZINC000343392464 381683446 /nfs/dbraw/zinc/68/34/46/381683446.db2.gz OWAYSUZXTOJFQS-IAGOWNOFSA-N 0 1 297.333 2.712 20 30 CFEDMN Cc1c(Cl)cnc(N2CCN(C)C[C@H]2C(C)C)c1C#N ZINC000343431744 381706649 /nfs/dbraw/zinc/70/66/49/381706649.db2.gz GYZJWMYJRMHUPB-AWEZNQCLSA-N 0 1 292.814 2.692 20 30 CFEDMN CCN1C[C@@H](C)N(c2ncc(Cl)c(C)c2C#N)C[C@@H]1C ZINC000343482332 381744655 /nfs/dbraw/zinc/74/46/55/381744655.db2.gz WDVYOFBWVHBZPJ-WDEREUQCSA-N 0 1 292.814 2.834 20 30 CFEDMN C[C@@H]1[C@H](Nc2ncc(C#N)cc2Cl)CCCN1C ZINC000343483939 381745557 /nfs/dbraw/zinc/74/55/57/381745557.db2.gz VGXSJXSEIDFKSX-BXKDBHETSA-N 0 1 264.760 2.501 20 30 CFEDMN Cc1cccc2nc(CN[C@@H]3CCC[C@@H](C#N)C3)cn21 ZINC000185885201 381767547 /nfs/dbraw/zinc/76/75/47/381767547.db2.gz KCFNBAAAHNSQTJ-ZIAGYGMSSA-N 0 1 268.364 2.815 20 30 CFEDMN C=C(CNC(=O)c1cc(O)cc([N+](=O)[O-])c1)c1ccccc1 ZINC000360213658 381772122 /nfs/dbraw/zinc/77/21/22/381772122.db2.gz QKSCIARFPJGMNJ-UHFFFAOYSA-N 0 1 298.298 2.744 20 30 CFEDMN Cc1nc(N[C@H]2C[C@@H](C)N(C3CC3)C2)c(Cl)cc1C#N ZINC000292726968 381820699 /nfs/dbraw/zinc/82/06/99/381820699.db2.gz UHTCVCHMHLPVTR-SKDRFNHKSA-N 0 1 290.798 2.952 20 30 CFEDMN C=CCN1CC[C@H](N(C)Cc2ccc(C)c(Cl)c2)C1=O ZINC000343614342 381841847 /nfs/dbraw/zinc/84/18/47/381841847.db2.gz PKBWWVXIUIQFGH-HNNXBMFYSA-N 0 1 292.810 2.867 20 30 CFEDMN C[C@H]1CN(CC2(C#N)CC2)[C@@H](C)CN1Cc1ccccc1 ZINC000343576085 381809583 /nfs/dbraw/zinc/80/95/83/381809583.db2.gz BAFSZODBTLEGPK-HOTGVXAUSA-N 0 1 283.419 2.885 20 30 CFEDMN N#CC1(CN[C@@H](c2ccccc2)[C@@H]2CCOC2)CC1 ZINC000343578974 381811524 /nfs/dbraw/zinc/81/15/24/381811524.db2.gz FXHDPUXIZDWJHY-CABCVRRESA-N 0 1 256.349 2.658 20 30 CFEDMN C=CCN(C)C(=O)[C@H](CC)N(C)Cc1ccccc1 ZINC000355919392 381816067 /nfs/dbraw/zinc/81/60/67/381816067.db2.gz MKIHSEGECDJTOW-HNNXBMFYSA-N 0 1 260.381 2.541 20 30 CFEDMN Cc1ncccc1O[C@H]1CCN(Cc2ccc(C#N)s2)C1 ZINC000372817120 381876199 /nfs/dbraw/zinc/87/61/99/381876199.db2.gz XJSBRCGYKNQDOF-ZDUSSCGKSA-N 0 1 299.399 2.977 20 30 CFEDMN CN(CC#Cc1ccccc1)[C@@H](CO)c1ccccc1 ZINC000361713580 381856974 /nfs/dbraw/zinc/85/69/74/381856974.db2.gz YXRJXEJKFWGIIP-SFHVURJKSA-N 0 1 265.356 2.704 20 30 CFEDMN N#CC(C(=O)c1coc2cc(F)ccc21)c1ccncn1 ZINC000361791992 381863576 /nfs/dbraw/zinc/86/35/76/381863576.db2.gz HYLIJUCAPLTYPF-LLVKDONJSA-N 0 1 281.246 2.852 20 30 CFEDMN N#C[C@@H](C(=O)c1coc2cc(F)ccc21)c1ccncn1 ZINC000361791992 381863585 /nfs/dbraw/zinc/86/35/85/381863585.db2.gz HYLIJUCAPLTYPF-LLVKDONJSA-N 0 1 281.246 2.852 20 30 CFEDMN C=CCOCCN(C)[C@H](C)c1ccc([S@@](C)=O)cc1 ZINC000292923911 381904729 /nfs/dbraw/zinc/90/47/29/381904729.db2.gz YGMOZCNVVQGPMH-BFUOFWGJSA-N 0 1 281.421 2.619 20 30 CFEDMN C=CCOCCCN1C[C@@H](O)C[C@@H]1c1cc(F)ccc1F ZINC000343740422 381918170 /nfs/dbraw/zinc/91/81/70/381918170.db2.gz MFAQBRDYFVODAA-XJKSGUPXSA-N 0 1 297.345 2.665 20 30 CFEDMN C=CCOCC(=O)Nc1nc2ccc(C(F)(F)F)cc2[nH]1 ZINC000343821905 381965091 /nfs/dbraw/zinc/96/50/91/381965091.db2.gz XQOLFARXYANFID-UHFFFAOYSA-N 0 1 299.252 2.723 20 30 CFEDMN CCCCCNC(=O)CN[C@H](C)c1ccc(C#N)cc1 ZINC000299509624 381966347 /nfs/dbraw/zinc/96/63/47/381966347.db2.gz CDIPZMSYMPZUEJ-CYBMUJFWSA-N 0 1 273.380 2.515 20 30 CFEDMN CC(C)[C@H]1CN(CC#Cc2ccccc2)CCCO1 ZINC000292992646 381938810 /nfs/dbraw/zinc/93/88/10/381938810.db2.gz IUGZIYZBTKAUTE-QGZVFWFLSA-N 0 1 257.377 2.785 20 30 CFEDMN CC(C)CN(Cc1ccc(C#N)cc1)C(=O)[C@@H]1CCCN1C ZINC000356984845 381943760 /nfs/dbraw/zinc/94/37/60/381943760.db2.gz IBQYDPNBQIQDFL-KRWDZBQOSA-N 0 1 299.418 2.637 20 30 CFEDMN C[C@H](NCC(=O)N1CCCC[C@H]1C)c1ccc(C#N)cc1 ZINC000299593885 381995575 /nfs/dbraw/zinc/99/55/75/381995575.db2.gz IFOHZVAXNQJXOF-KGLIPLIRSA-N 0 1 285.391 2.610 20 30 CFEDMN N#Cc1cncc(S(=O)(=O)Nc2ccc3ccoc3c2)c1 ZINC000357069061 381995785 /nfs/dbraw/zinc/99/57/85/381995785.db2.gz GRIARGQEMNBCBL-UHFFFAOYSA-N 0 1 299.311 2.500 20 30 CFEDMN C=CCN(Cc1cccc(Br)n1)C1CC1 ZINC000293241049 382044405 /nfs/dbraw/zinc/04/44/05/382044405.db2.gz QYKHUKUJJKNLIM-UHFFFAOYSA-N 0 1 267.170 2.995 20 30 CFEDMN C=C(C)CN(C)CC(=O)N(CC)Cc1ccccc1 ZINC000351095421 382026544 /nfs/dbraw/zinc/02/65/44/382026544.db2.gz DXZXITRECXGUGS-UHFFFAOYSA-N 0 1 260.381 2.543 20 30 CFEDMN C=C(C)CCN1CCN(C(=O)c2ccc(F)c(F)c2)CC1 ZINC000351871033 382068127 /nfs/dbraw/zinc/06/81/27/382068127.db2.gz QLLHEBVYHLPZMW-UHFFFAOYSA-N 0 1 294.345 2.689 20 30 CFEDMN Cc1cc(CNCCSCc2ccccc2C#N)no1 ZINC000357175293 382039341 /nfs/dbraw/zinc/03/93/41/382039341.db2.gz FLIVMOSNYJOSSM-UHFFFAOYSA-N 0 1 287.388 2.878 20 30 CFEDMN CC[C@@H](F)CN(C)CCOCc1ccc(C#N)cc1 ZINC000344078756 382113326 /nfs/dbraw/zinc/11/33/26/382113326.db2.gz ZAKQIECGFZZOJU-OAHLLOKOSA-N 0 1 264.344 2.755 20 30 CFEDMN C=C(C)CCN1CCN(c2ncc(CC)s2)CC1 ZINC000352007261 382123838 /nfs/dbraw/zinc/12/38/38/382123838.db2.gz XCOAIBQWJJZFFO-UHFFFAOYSA-N 0 1 265.426 2.794 20 30 CFEDMN N#CC1(CCCN2CCC[C@H]2c2ncc[nH]2)CCOCC1 ZINC000375621891 382094565 /nfs/dbraw/zinc/09/45/65/382094565.db2.gz YHURZTIFYMUORX-AWEZNQCLSA-N 0 1 288.395 2.647 20 30 CFEDMN C=C(Cl)CN1CCC[C@@H](Cc2nnc3ccccn32)C1 ZINC000376371508 382132790 /nfs/dbraw/zinc/13/27/90/382132790.db2.gz UJCAHVOFDLSWAF-ZDUSSCGKSA-N 0 1 290.798 2.736 20 30 CFEDMN CN(Cc1ccc(C#N)cc1F)C[C@@H](O)Cc1ccccc1 ZINC000293482941 382141798 /nfs/dbraw/zinc/14/17/98/382141798.db2.gz YHHJBMJLFVSJGP-KRWDZBQOSA-N 0 1 298.361 2.733 20 30 CFEDMN N#Cc1cc(Cl)ccc1CNC1(CO)CCCC1 ZINC000187288009 382147738 /nfs/dbraw/zinc/14/77/38/382147738.db2.gz BYJVQJDNGNTHLA-UHFFFAOYSA-N 0 1 264.756 2.606 20 30 CFEDMN C[C@@H]1C[C@H](CO)CCN1CC#Cc1ccc(Cl)cc1 ZINC000344131550 382149829 /nfs/dbraw/zinc/14/98/29/382149829.db2.gz NRBADQQWFVXJDH-UKRRQHHQSA-N 0 1 277.795 2.784 20 30 CFEDMN CCCC(=O)N[C@H]1CCCN([C@@H](C)c2cccc(C#N)c2)C1 ZINC000187666217 382238727 /nfs/dbraw/zinc/23/87/27/382238727.db2.gz LAADRYCNVOIBBX-YOEHRIQHSA-N 0 1 299.418 3.000 20 30 CFEDMN CC#CCN(C)Cc1ccc(OC(F)F)c(OC)c1 ZINC000357601000 382246118 /nfs/dbraw/zinc/24/61/18/382246118.db2.gz YDRIVPVUDDJJPZ-UHFFFAOYSA-N 0 1 269.291 2.752 20 30 CFEDMN C=CCOCCN1CCC[C@H]1c1nc2ccccc2n1C ZINC000293775996 382273259 /nfs/dbraw/zinc/27/32/59/382273259.db2.gz LKCQAEUZFSWVAI-INIZCTEOSA-N 0 1 285.391 2.913 20 30 CFEDMN N#CC1(F)CCN(CCCOCCc2ccccc2)CC1 ZINC000352458838 382344194 /nfs/dbraw/zinc/34/41/94/382344194.db2.gz PRPXCJOKEQTBLP-UHFFFAOYSA-N 0 1 290.382 2.963 20 30 CFEDMN CC(C)[C@]1(CO)CCN(Cc2ccc(C#N)cc2F)C1 ZINC000377632305 382306803 /nfs/dbraw/zinc/30/68/03/382306803.db2.gz UHBMIDPRBZFOQZ-MRXNPFEDSA-N 0 1 276.355 2.538 20 30 CFEDMN C=C(C)CC[N@H+]1C[C@H]2OCCN(Cc3ccccc3)[C@@H]2C1 ZINC000352413110 382317405 /nfs/dbraw/zinc/31/74/05/382317405.db2.gz LVUGUCWXPJCULH-QZTJIDSGSA-N 0 1 286.419 2.538 20 30 CFEDMN Cc1csc(C(C#N)C(=O)c2c3ccccc3nn2C)n1 ZINC000357853949 382351773 /nfs/dbraw/zinc/35/17/73/382351773.db2.gz ZBCIEDWVDUFBGP-NSHDSACASA-N 0 1 296.355 2.828 20 30 CFEDMN N#Cc1ccc(CN[C@@H](c2nnc[nH]2)c2ccccc2)s1 ZINC000364677024 382352737 /nfs/dbraw/zinc/35/27/37/382352737.db2.gz NKVSEWKEBRRFJS-CQSZACIVSA-N 0 1 295.371 2.617 20 30 CFEDMN C=C[C@@H](CO)NCc1cnc(-c2cccs2)s1 ZINC000352481689 382356172 /nfs/dbraw/zinc/35/61/72/382356172.db2.gz PSFMIMSLQJSCRJ-VIFPVBQESA-N 0 1 266.391 2.508 20 30 CFEDMN Cc1cc([C@@H]2CCCN(c3c(C#N)cccc3C#N)C2)[nH]n1 ZINC000365464132 382397504 /nfs/dbraw/zinc/39/75/04/382397504.db2.gz SSJQZIXYGMIOFI-OAHLLOKOSA-N 0 1 291.358 2.845 20 30 CFEDMN C[C@H](NCC1(C#N)CC1)c1cccc(-n2ccnc2)c1 ZINC000346538469 382402102 /nfs/dbraw/zinc/40/21/02/382402102.db2.gz SNRKKZAQBDFHMZ-ZDUSSCGKSA-N 0 1 266.348 2.827 20 30 CFEDMN N#Cc1ccsc1C(=O)Nc1ccc2nc[nH]c2c1 ZINC000352616663 382419451 /nfs/dbraw/zinc/41/94/51/382419451.db2.gz LALBPIDUYQMPJR-UHFFFAOYSA-N 0 1 268.301 2.748 20 30 CFEDMN COC[C@H]1CCCCN1Cc1ccc(F)c(C#N)c1 ZINC000307776668 382469768 /nfs/dbraw/zinc/46/97/68/382469768.db2.gz XAEAKAMILWETBC-CQSZACIVSA-N 0 1 262.328 2.698 20 30 CFEDMN C=CCCC[C@H](C)NC(=O)NCCN1CC=C(C)CC1 ZINC000358183399 382492522 /nfs/dbraw/zinc/49/25/22/382492522.db2.gz FRQQYQUKFIKTKC-HNNXBMFYSA-N 0 1 279.428 2.682 20 30 CFEDMN CN(Cc1ccc(Br)cc1C#N)CC(C)(C)O ZINC000310365795 382494217 /nfs/dbraw/zinc/49/42/17/382494217.db2.gz LZONJLMBTWENMC-UHFFFAOYSA-N 0 1 297.196 2.523 20 30 CFEDMN C=CCCC[C@H](C)N1C[C@H](C)[S@@](=O)[C@@H](CC)C1 ZINC000352892770 382481101 /nfs/dbraw/zinc/48/11/01/382481101.db2.gz KUPGVQKVUKKRAC-AYMQEEERSA-N 0 1 257.443 2.963 20 30 CFEDMN C=CCCCCCN1C[C@H](C)[S@](=O)[C@@H](CC)C1 ZINC000352902064 382481340 /nfs/dbraw/zinc/48/13/40/382481340.db2.gz ZHPAWJGOCQGHJD-ZQIUZPCESA-N 0 1 257.443 2.964 20 30 CFEDMN C=CCC[C@H](C)NCc1n[nH]cc1Br ZINC000308643251 382484165 /nfs/dbraw/zinc/48/41/65/382484165.db2.gz FZYFSGQUDMEVRT-QMMMGPOBSA-N 0 1 258.163 2.617 20 30 CFEDMN N#Cc1ccc(NC(=O)CN2CCC3(CCC3)CC2)cc1 ZINC000308745426 382487315 /nfs/dbraw/zinc/48/73/15/382487315.db2.gz XSKWOYPPTRUZLC-UHFFFAOYSA-N 0 1 283.375 2.763 20 30 CFEDMN Cc1cccc(O)c1NC(=O)c1ccc(C#N)c(O)c1 ZINC000188839292 382488729 /nfs/dbraw/zinc/48/87/29/382488729.db2.gz IRCAXTICJMYJMW-UHFFFAOYSA-N 0 1 268.272 2.530 20 30 CFEDMN C=CC[C@H](C)[C@@H](C)NCc1n[nH]cc1Br ZINC000309012759 382488875 /nfs/dbraw/zinc/48/88/75/382488875.db2.gz SKKLVJAVWZSZLE-DTWKUNHWSA-N 0 1 272.190 2.863 20 30 CFEDMN C[C@H](NCc1ccc(C#N)o1)[C@H](C)NC(=O)OC(C)(C)C ZINC000381350256 382520175 /nfs/dbraw/zinc/52/01/75/382520175.db2.gz HTUZGDNLARKVBM-QWRGUYRKSA-N 0 1 293.367 2.543 20 30 CFEDMN C=C(C)CCN[C@H](C)c1ncc(C(=O)OC)s1 ZINC000314869850 382527258 /nfs/dbraw/zinc/52/72/58/382527258.db2.gz CSOIDHCYBIYKMK-SECBINFHSA-N 0 1 254.355 2.547 20 30 CFEDMN Cc1ccc([C@H](C)N(C)CC(=O)NC2(C#N)CCC2)cc1 ZINC000346815764 382527305 /nfs/dbraw/zinc/52/73/05/382527305.db2.gz CNJNIDPCDJGQFF-AWEZNQCLSA-N 0 1 285.391 2.550 20 30 CFEDMN C[C@@H]1CC[C@@H](O)CN1CC#Cc1ccc(C(F)(F)F)cc1 ZINC000421008778 382504277 /nfs/dbraw/zinc/50/42/77/382504277.db2.gz HBCVBNVEGJPRDC-IUODEOHRSA-N 0 1 297.320 2.902 20 30 CFEDMN N#CCCCOc1cccc(CN2CC[C@@]23CCOC3)c1 ZINC000421394741 382514987 /nfs/dbraw/zinc/51/49/87/382514987.db2.gz HCEVYLSHROQJQO-KRWDZBQOSA-N 0 1 286.375 2.734 20 30 CFEDMN CC(C)CN(CC(=O)NCC1CC1)Cc1ccc(C#N)cc1 ZINC000346798470 382515195 /nfs/dbraw/zinc/51/51/95/382515195.db2.gz VJXYRJZMAXTIQX-UHFFFAOYSA-N 0 1 299.418 2.542 20 30 CFEDMN C=CCOc1ccc(CN2CC[C@]23CCOC3)cc1 ZINC000421395393 382516213 /nfs/dbraw/zinc/51/62/13/382516213.db2.gz IHAVPYUIJYIRHH-MRXNPFEDSA-N 0 1 259.349 2.616 20 30 CFEDMN CC1(C)CCC[C@H](NC([O-])=[NH+][C@@H]2CCc3c[nH]nc3C2)C1 ZINC000328624645 382555850 /nfs/dbraw/zinc/55/58/50/382555850.db2.gz ZSCKIXZXQXDJTG-OLZOCXBDSA-N 0 1 290.411 2.739 20 30 CFEDMN CC1(C)CCC[C@H]([NH+]=C([O-])N[C@@H]2CCc3c[nH]nc3C2)C1 ZINC000328624645 382555852 /nfs/dbraw/zinc/55/58/52/382555852.db2.gz ZSCKIXZXQXDJTG-OLZOCXBDSA-N 0 1 290.411 2.739 20 30 CFEDMN N#CC(C(=O)c1cc2occc2s1)c1ccncn1 ZINC000680617218 542342711 /nfs/dbraw/zinc/34/27/11/542342711.db2.gz IRZHYIIATUGXSN-QMMMGPOBSA-N 0 1 269.285 2.774 20 30 CFEDMN C#CCCCCC(=O)Nc1[nH]nc(-c2ccncc2)c1C ZINC000367357997 382565683 /nfs/dbraw/zinc/56/56/83/382565683.db2.gz GMMFNJXPPVYPPV-UHFFFAOYSA-N 0 1 282.347 2.912 20 30 CFEDMN COc1cc(CNCc2cnc(C)cc2C)ccc1C#N ZINC000396973912 382632533 /nfs/dbraw/zinc/63/25/33/382632533.db2.gz IMJRWHMZUHCNNC-UHFFFAOYSA-N 0 1 281.359 2.869 20 30 CFEDMN N#CC(C(=O)c1ccoc1)c1cnc2ccccc2n1 ZINC000190968388 382686908 /nfs/dbraw/zinc/68/69/08/382686908.db2.gz SROHFMPTEILZPN-LLVKDONJSA-N 0 1 263.256 2.713 20 30 CFEDMN N#C[C@@H](C(=O)c1ccoc1)c1cnc2ccccc2n1 ZINC000190968388 382686911 /nfs/dbraw/zinc/68/69/11/382686911.db2.gz SROHFMPTEILZPN-LLVKDONJSA-N 0 1 263.256 2.713 20 30 CFEDMN CC[C@H]1CN(CCOc2ccc(C#N)cc2)C[C@H](CC)O1 ZINC000398504870 382635841 /nfs/dbraw/zinc/63/58/41/382635841.db2.gz DXRXGHCBKOCJDG-HOTGVXAUSA-N 0 1 288.391 2.826 20 30 CFEDMN C[C@H](C(=O)Nc1cccc(C#N)c1)N1C2CCC1CC2 ZINC000398915579 382636675 /nfs/dbraw/zinc/63/66/75/382636675.db2.gz PRMFOGNOVUHXMO-VCANKDNSSA-N 0 1 269.348 2.512 20 30 CFEDMN C[C@H](C#N)CN[C@@H]1CC[C@H](C)N(C(=O)OC(C)(C)C)C1 ZINC000398984254 382636927 /nfs/dbraw/zinc/63/69/27/382636927.db2.gz AACKQECGVSHMQE-FRRDWIJNSA-N 0 1 281.400 2.524 20 30 CFEDMN Cn1cc(CN2CCS[C@@H]3CCCC[C@@H]32)cc1C#N ZINC000191406856 382699837 /nfs/dbraw/zinc/69/98/37/382699837.db2.gz WQOSAAVGWGDCGF-LSDHHAIUSA-N 0 1 275.421 2.757 20 30 CFEDMN CCN(C1CC1)[C@@H]1CCCN(c2ccc(C#N)cc2)C1=O ZINC000192538848 382709861 /nfs/dbraw/zinc/70/98/61/382709861.db2.gz JSBPPJCNNCJSLF-MRXNPFEDSA-N 0 1 283.375 2.538 20 30 CFEDMN Cc1nc([C@H](N[C@@H]2CCC[C@H](C#N)C2)c2ccccc2)n[nH]1 ZINC000192811994 382712633 /nfs/dbraw/zinc/71/26/33/382712633.db2.gz APEXIBPAGHWFLQ-NUEKZKHPSA-N 0 1 295.390 2.875 20 30 CFEDMN COC[C@H](N[C@H]1CCC[C@H](C#N)C1)c1ccc(C)o1 ZINC000192924765 382713723 /nfs/dbraw/zinc/71/37/23/382713723.db2.gz SEVYWNXIKLIEKO-IHRRRGAJSA-N 0 1 262.353 2.948 20 30 CFEDMN C=CCN1CC[C@H](N(C)Cc2ccc(CCC)cc2)C1=O ZINC000337225279 382780336 /nfs/dbraw/zinc/78/03/36/382780336.db2.gz OHYXXDKDTXGAOB-KRWDZBQOSA-N 0 1 286.419 2.858 20 30 CFEDMN C=CCN1CC[C@@H](N(CC(=C)C)Cc2ccccc2)C1=O ZINC000337253710 382786546 /nfs/dbraw/zinc/78/65/46/382786546.db2.gz SEPCJZHPQSQEFX-QGZVFWFLSA-N 0 1 284.403 2.852 20 30 CFEDMN C=CCN(CC=C)C(=O)[C@@H](C)Nc1ccc2c(c1)CN(C)C2 ZINC000194511452 382746561 /nfs/dbraw/zinc/74/65/61/382746561.db2.gz YEHKYPQADCNROD-CQSZACIVSA-N 0 1 299.418 2.633 20 30 CFEDMN C=C(C)CN1CCc2c(cnn2-c2ccccc2)C1 ZINC000337440371 382821470 /nfs/dbraw/zinc/82/14/70/382821470.db2.gz ZEHURACXHTYZGW-UHFFFAOYSA-N 0 1 253.349 2.807 20 30 CFEDMN C=C(C)CN(C)CC(=O)N(C)[C@H](C)c1ccccc1 ZINC000337476667 382827909 /nfs/dbraw/zinc/82/79/09/382827909.db2.gz YSZSDTZWGRJNME-CQSZACIVSA-N 0 1 260.381 2.714 20 30 CFEDMN C[C@H](C(=O)Nc1ccccc1C#N)N1CC[C@@H](C)[C@@H](C)C1 ZINC000228201833 382845593 /nfs/dbraw/zinc/84/55/93/382845593.db2.gz CMCSPDDLHISCLD-HZSPNIEDSA-N 0 1 285.391 2.863 20 30 CFEDMN C=CCCOCCNCc1nc(CCC)cs1 ZINC000494179194 382909675 /nfs/dbraw/zinc/90/96/75/382909675.db2.gz KPKVHTACFIIPQL-UHFFFAOYSA-N 0 1 254.399 2.778 20 30 CFEDMN COc1cc(CNCc2cccc(C#N)c2)ccc1C#N ZINC000234927686 382875898 /nfs/dbraw/zinc/87/58/98/382875898.db2.gz MLUFNUJYFUOLLE-UHFFFAOYSA-N 0 1 277.327 2.728 20 30 CFEDMN N#CCNC(=O)CN1CCCCC[C@H]1/C=C\c1ccccc1 ZINC000441185468 382899859 /nfs/dbraw/zinc/89/98/59/382899859.db2.gz ZUOUNFDERMBRSM-MQNTZWLQSA-N 0 1 297.402 2.584 20 30 CFEDMN C=CCn1cccc1C(=O)N1CCC[C@@H](c2cc(C)[nH]n2)C1 ZINC000338155610 382937090 /nfs/dbraw/zinc/93/70/90/382937090.db2.gz IYUAULLZPODQDA-CQSZACIVSA-N 0 1 298.390 2.725 20 30 CFEDMN C=CCN(C[C@H]1CCCC(C)(C)C1)[C@@H]1CCS(=O)(=O)C1 ZINC000535797056 382955348 /nfs/dbraw/zinc/95/53/48/382955348.db2.gz MNJLEGUFARRINT-LSDHHAIUSA-N 0 1 299.480 2.878 20 30 CFEDMN C=C(C)COCCNCc1cc2ccccc2nc1OC ZINC000536538439 382956152 /nfs/dbraw/zinc/95/61/52/382956152.db2.gz IAYNFRQPNHAADU-UHFFFAOYSA-N 0 1 286.375 2.926 20 30 CFEDMN N#C[C@H]1CC[C@H](NCc2cccnc2OCC(F)F)C1 ZINC000442820971 382959261 /nfs/dbraw/zinc/95/92/61/382959261.db2.gz CPUVDSVNWNZRBR-JQWIXIFHSA-N 0 1 281.306 2.507 20 30 CFEDMN C[C@H]1CN(CC(=O)NC2(C#N)CCCCC2)CC(C)(C)C1 ZINC000541325839 382964963 /nfs/dbraw/zinc/96/49/63/382964963.db2.gz RFIYCLZLCKZEMF-CQSZACIVSA-N 0 1 291.439 2.697 20 30 CFEDMN N#C[C@H]1CC[C@H](NCc2ccncc2OCC(F)F)C1 ZINC000442857001 382961261 /nfs/dbraw/zinc/96/12/61/382961261.db2.gz OZJJREGYSCUCMG-JQWIXIFHSA-N 0 1 281.306 2.507 20 30 CFEDMN C=C(C)CN1CC[C@@H](OC)C[C@H]1CNC(=O)OC(C)(C)C ZINC000495103898 382961719 /nfs/dbraw/zinc/96/17/19/382961719.db2.gz GXNWRBXARZJUES-UONOGXRCSA-N 0 1 298.427 2.567 20 30 CFEDMN C=C(CC)CNC(=O)[C@@H](c1ccccc1)N(C)CC ZINC000456830006 382962080 /nfs/dbraw/zinc/96/20/80/382962080.db2.gz PXMDDEPNDPKPBZ-OAHLLOKOSA-N 0 1 260.381 2.762 20 30 CFEDMN Cc1ccsc1[C@@H](CO)NCC#Cc1ccc(F)cc1 ZINC000494631817 382914817 /nfs/dbraw/zinc/91/48/17/382914817.db2.gz CJADALHGTPZXQU-OAHLLOKOSA-N 0 1 289.375 2.870 20 30 CFEDMN Cc1ccsc1[C@@H](CO)NCc1ccc(F)c(C#N)c1 ZINC000494657171 382915906 /nfs/dbraw/zinc/91/59/06/382915906.db2.gz YSZSJWDYTWGIFT-CQSZACIVSA-N 0 1 290.363 2.891 20 30 CFEDMN Cc1cccc(CNC(=O)CN2CCC(CCC#N)CC2)c1 ZINC000578440299 382921052 /nfs/dbraw/zinc/92/10/52/382921052.db2.gz QPPMFWOTBGIQDE-UHFFFAOYSA-N 0 1 299.418 2.627 20 30 CFEDMN Cc1noc([C@H](C)NCCCCC(C)(C)C#N)n1 ZINC000444679890 382975490 /nfs/dbraw/zinc/97/54/90/382975490.db2.gz NMTLCVPVUASUPC-JTQLQIEISA-N 0 1 250.346 2.749 20 30 CFEDMN CC(C)[C@@](C)(C#N)NC(=O)CN1CCCCC(C)(C)C1 ZINC000446070732 382987869 /nfs/dbraw/zinc/98/78/69/382987869.db2.gz KNQPVYOGGTUHEF-MRXNPFEDSA-N 0 1 279.428 2.553 20 30 CFEDMN CCC1(CC)CCN(CC(=O)NC2(C#N)CCCCC2)C1 ZINC000446714160 382991234 /nfs/dbraw/zinc/99/12/34/382991234.db2.gz FQXKMKIDBFYNFT-UHFFFAOYSA-N 0 1 291.439 2.841 20 30 CFEDMN N#C[C@H]1CCC[C@H](NCc2nccn2CC(F)(F)F)C1 ZINC000447534267 382997190 /nfs/dbraw/zinc/99/71/90/382997190.db2.gz VYPKHTMDTVQDSF-QWRGUYRKSA-N 0 1 286.301 2.617 20 30 CFEDMN Cc1c(CN(C)[C@@H](C)c2cccc(C#N)c2)cnn1C ZINC000447797305 383006912 /nfs/dbraw/zinc/00/69/12/383006912.db2.gz IEOZPVAEXILDDR-LBPRGKRZSA-N 0 1 268.364 2.793 20 30 CFEDMN Cc1nn(-c2ccncc2)cc1CN(C[C@H](C)C#N)C1CC1 ZINC000541535398 382965718 /nfs/dbraw/zinc/96/57/18/382965718.db2.gz CBJYPNZYXUMLFC-CYBMUJFWSA-N 0 1 295.390 2.700 20 30 CFEDMN CC(C)(C)n1cc(CN2CCC(CC#N)CC2)cn1 ZINC000542853380 382969580 /nfs/dbraw/zinc/96/95/80/382969580.db2.gz HYKXVROLFWATQM-UHFFFAOYSA-N 0 1 260.385 2.764 20 30 CFEDMN N#CCC[C@@H](C#N)CNC[C@H]1CSc2ccccc21 ZINC000578970781 382970128 /nfs/dbraw/zinc/97/01/28/382970128.db2.gz HALCKHFGUHHKOU-STQMWFEESA-N 0 1 271.389 2.909 20 30 CFEDMN C[C@@H](CCC#N)N1CCC[C@@H](OCC(F)(F)F)C1 ZINC000578973022 382970465 /nfs/dbraw/zinc/97/04/65/382970465.db2.gz WRAXROUXUIBGRF-WDEREUQCSA-N 0 1 264.291 2.722 20 30 CFEDMN C=C[C@H]1CCCCN1CCNC(=O)OC(C)(C)C ZINC000496760088 383124636 /nfs/dbraw/zinc/12/46/36/383124636.db2.gz SGLDHQATGXZLBX-LBPRGKRZSA-N 0 1 254.374 2.552 20 30 CFEDMN CC(C)(C)OC(=O)NC(C)(C)CN(CCC#N)CC1CC1 ZINC000496923314 383127286 /nfs/dbraw/zinc/12/72/86/383127286.db2.gz UQKKYBGACZIIGD-UHFFFAOYSA-N 0 1 295.427 2.915 20 30 CFEDMN C=CCNC(=O)CN(Cc1ccccc1)CC(C)(C)C ZINC000507820035 383146717 /nfs/dbraw/zinc/14/67/17/383146717.db2.gz ZAFVRRQHEBRZSK-UHFFFAOYSA-N 0 1 274.408 2.837 20 30 CFEDMN C=CCNC(=O)CN[C@@]1(c2cccc(C)c2)C[C@H]1CC ZINC000502506165 383138355 /nfs/dbraw/zinc/13/83/55/383138355.db2.gz DTAYWRZFPRHIQP-PBHICJAKSA-N 0 1 272.392 2.512 20 30 CFEDMN CCN(CCNC[C@H](C#N)CCC#N)c1ccccc1C ZINC000564842621 383172231 /nfs/dbraw/zinc/17/22/31/383172231.db2.gz FDDGUKNEYCBBEA-INIZCTEOSA-N 0 1 284.407 2.854 20 30 CFEDMN C=CCCC[N@H+](C)Cc1cc(C(=O)[O-])oc1CC ZINC000565108159 383175746 /nfs/dbraw/zinc/17/57/46/383175746.db2.gz VGSGLTDMFNAFBC-UHFFFAOYSA-N 0 1 251.326 2.938 20 30 CFEDMN C=C(C)CN(C)Cc1cc(C(=O)OCC)c(C)[nH]1 ZINC000449228921 383185273 /nfs/dbraw/zinc/18/52/73/383185273.db2.gz XCUZDSIXZHLTGV-UHFFFAOYSA-N 0 1 250.342 2.508 20 30 CFEDMN C=CC[N@@H+](Cc1ccccc1)CC1(CC(=O)[O-])CC1 ZINC000566358252 383186145 /nfs/dbraw/zinc/18/61/45/383186145.db2.gz GEQWSVUZYIQNJD-UHFFFAOYSA-N 0 1 259.349 2.930 20 30 CFEDMN C=CCOCC[N@@H+]1C[C@@H](C2CCCCC2)C[C@@H]1C(=O)[O-] ZINC000566510410 383188323 /nfs/dbraw/zinc/18/83/23/383188323.db2.gz QPIXOCRQRNMMGV-LSDHHAIUSA-N 0 1 281.396 2.544 20 30 CFEDMN C=CCCO[C@H](C)c1nc([C@H](N)CC(C)C)no1 ZINC000339366203 383192532 /nfs/dbraw/zinc/19/25/32/383192532.db2.gz LWMBBXHHCGYVJI-GHMZBOCLSA-N 0 1 253.346 2.769 20 30 CFEDMN C=C[C@@H](CC(=O)N1[C@H](C)CN(C)C[C@@H]1C)c1ccccc1 ZINC000247987633 383205359 /nfs/dbraw/zinc/20/53/59/383205359.db2.gz IPLPJFHDXAMPFG-XHSDSOJGSA-N 0 1 286.419 2.897 20 30 CFEDMN C=CCCCCCN1CCO[C@@H](COC(C)C)C1 ZINC000555545300 383148340 /nfs/dbraw/zinc/14/83/40/383148340.db2.gz ZZYYDSHHECFHLO-OAHLLOKOSA-N 0 1 255.402 2.859 20 30 CFEDMN C=CC[N@H+](C)[C@H](C(=O)[O-])c1cccc(Br)c1 ZINC000516187596 383163354 /nfs/dbraw/zinc/16/33/54/383163354.db2.gz GDOAKLUMJAAGMS-NSHDSACASA-N 0 1 284.153 2.693 20 30 CFEDMN C[C@@H](COc1ccc(F)cc1F)NC[C@@H](C#N)CCC#N ZINC000562988329 383164406 /nfs/dbraw/zinc/16/44/06/383164406.db2.gz YJKFOXCXOPXYHP-NWDGAFQWSA-N 0 1 293.317 2.765 20 30 CFEDMN N#Cc1ccc2c(c1)[C@H](NCc1cnc3n1CCCC3)CC2 ZINC000567285431 383258961 /nfs/dbraw/zinc/25/89/61/383258961.db2.gz WTRSHIVVOSKXPQ-QGZVFWFLSA-N 0 1 292.386 2.868 20 30 CFEDMN C=CCOc1ccccc1CNCc1n[nH]c(C(C)C)n1 ZINC000449404898 383269975 /nfs/dbraw/zinc/26/99/75/383269975.db2.gz GHXLWESBSAKENG-UHFFFAOYSA-N 0 1 286.379 2.783 20 30 CFEDMN C=CCC[C@@H](O)CN1CCO[C@@H](CCc2ccccc2)C1 ZINC000248633777 383275893 /nfs/dbraw/zinc/27/58/93/383275893.db2.gz XEPCTXWOKJCFKD-MSOLQXFVSA-N 0 1 289.419 2.647 20 30 CFEDMN C[C@H]1CCN(CC(=O)N(CCC#N)c2ccccc2)[C@H]1C ZINC000248367460 383228292 /nfs/dbraw/zinc/22/82/92/383228292.db2.gz UBXVFHNYEZDSQX-GJZGRUSLSA-N 0 1 285.391 2.664 20 30 CFEDMN C=C(C)C(C)(C)C(=O)NCCc1nc2ccc(F)cc2[nH]1 ZINC000424697525 383234711 /nfs/dbraw/zinc/23/47/11/383234711.db2.gz OPEUEPHJSUJZHV-UHFFFAOYSA-N 0 1 289.354 2.963 20 30 CFEDMN Cc1cc(CNc2cc3c(cn2)CCC3)ccc1C#N ZINC000339556270 383241701 /nfs/dbraw/zinc/24/17/01/383241701.db2.gz MRBFAOSDEHJMOC-UHFFFAOYSA-N 0 1 263.344 2.784 20 30 CFEDMN C=C(C)CN(CC)C(=O)[C@H](C)N[C@@H](C)c1cnc(C)s1 ZINC000634576971 383242739 /nfs/dbraw/zinc/24/27/39/383242739.db2.gz DDCZVGYJZRHQBJ-RYUDHWBXSA-N 0 1 295.452 2.915 20 30 CFEDMN C=C(C)CN(CC)C(=O)[C@H](C)N[C@H](C)c1cnc(C)s1 ZINC000634576969 383242758 /nfs/dbraw/zinc/24/27/58/383242758.db2.gz DDCZVGYJZRHQBJ-NEPJUHHUSA-N 0 1 295.452 2.915 20 30 CFEDMN C=CCN(CC=C)C(=O)[C@@H](C)N[C@H](C)c1cnc(C)s1 ZINC000634577889 383243399 /nfs/dbraw/zinc/24/33/99/383243399.db2.gz VHORMYIXUFASPN-VXGBXAGGSA-N 0 1 293.436 2.691 20 30 CFEDMN C=CCCC[C@@H](C)[N@@H+](C)[C@H]1CCCCN(C)C1=O ZINC000634743008 383341914 /nfs/dbraw/zinc/34/19/14/383341914.db2.gz GKJNIQKKPCVHEB-KGLIPLIRSA-N 0 1 252.402 2.674 20 30 CFEDMN CC1(C)COc2c1cccc2C(=O)C(C#N)c1ccncn1 ZINC000521389283 383294741 /nfs/dbraw/zinc/29/47/41/383294741.db2.gz HKANFDACNOYXMM-GFCCVEGCSA-N 0 1 293.326 2.637 20 30 CFEDMN COC(=O)[C@@H]1[C@@H]2CCC[C@H]2CN1Cc1ccc(C#N)cc1C ZINC000248889293 383304458 /nfs/dbraw/zinc/30/44/58/383304458.db2.gz YJAOHRPLQAUTMX-BBWFWOEESA-N 0 1 298.386 2.640 20 30 CFEDMN CN(Cc1cc(C#N)cs1)[C@H](CO)c1ccccc1 ZINC000449458583 383306052 /nfs/dbraw/zinc/30/60/52/383306052.db2.gz WJAULOKWRGNYMQ-OAHLLOKOSA-N 0 1 272.373 2.785 20 30 CFEDMN N#CCC[C@@H](C#N)CNCC1(c2cccc(F)c2)CC1 ZINC000567797155 383317589 /nfs/dbraw/zinc/31/75/89/383317589.db2.gz RNFOYUNPPOPMKN-ZDUSSCGKSA-N 0 1 271.339 2.890 20 30 CFEDMN C=C(C)C[N@H+](CC)[C@@H](C(=O)[O-])c1cccc(OC)c1 ZINC000634690052 383321337 /nfs/dbraw/zinc/32/13/37/383321337.db2.gz BYNRHRUEGHWTBG-CQSZACIVSA-N 0 1 263.337 2.719 20 30 CFEDMN O=C(N[C@H]1CCc2nc[nH]c2C1)[C@H]1CC(=O)c2ccccc21 ZINC000329604087 296346674 /nfs/dbraw/zinc/34/66/74/296346674.db2.gz LPAGIFPJLOXZKY-GWCFXTLKSA-N 0 1 295.342 2.594 20 30 CFEDMN COC(=O)C1(CN2CCC[C@@H]2[C@H](C#N)c2ccccc2)CC1 ZINC000450452395 383416201 /nfs/dbraw/zinc/41/62/01/383416201.db2.gz MNWWNSQVRGGDEL-HZPDHXFCSA-N 0 1 298.386 2.711 20 30 CFEDMN CCO[C@H]1C[C@H](N(C)CC2(C#N)CCC2)C1(C)C ZINC000450431067 383408308 /nfs/dbraw/zinc/40/83/08/383408308.db2.gz XKNPICJNYDRVNV-STQMWFEESA-N 0 1 250.386 2.816 20 30 CFEDMN C=CCCN(C)CC(=O)NCCCC1CCCCC1 ZINC000467303653 383352618 /nfs/dbraw/zinc/35/26/18/383352618.db2.gz CRZXZLQUMCIIBF-UHFFFAOYSA-N 0 1 266.429 2.971 20 30 CFEDMN C=CCCCCN1CC[N@H+](CCOC)[C@H](CCC)C1 ZINC000568183737 383371146 /nfs/dbraw/zinc/37/11/46/383371146.db2.gz WDKBZBQOUVVJLW-MRXNPFEDSA-N 0 1 268.445 2.775 20 30 CFEDMN C=C(C)CN(C)CC(=O)N[C@@H](C)Cc1c(F)cccc1F ZINC000481272788 383425565 /nfs/dbraw/zinc/42/55/65/383425565.db2.gz WOLFMWRSUPNHRS-LBPRGKRZSA-N 0 1 296.361 2.520 20 30 CFEDMN CC(C)(C)[C@H]1CCN(CC#Cc2ccccc2)C[C@@H]1O ZINC000484091348 383454846 /nfs/dbraw/zinc/45/48/46/383454846.db2.gz FCKPXIJYFMCVPE-IRXDYDNUSA-N 0 1 271.404 2.767 20 30 CFEDMN Cc1nc([C@@H]2CCCCN2Cc2cccc(F)c2C#N)n[nH]1 ZINC000428372079 383459333 /nfs/dbraw/zinc/45/93/33/383459333.db2.gz IFCYZHZFVNEGEK-HNNXBMFYSA-N 0 1 299.353 2.851 20 30 CFEDMN CN(Cc1cccc(F)c1C#N)[C@H](CO)C(C)(C)C ZINC000428394417 383466013 /nfs/dbraw/zinc/46/60/13/383466013.db2.gz UYKALFNSZIGUNI-CQSZACIVSA-N 0 1 264.344 2.536 20 30 CFEDMN C=CCN(C[C@H](C)C1CCCCC1)[C@@H]1CCS(=O)(=O)C1 ZINC000569142200 383472113 /nfs/dbraw/zinc/47/21/13/383472113.db2.gz GBGLNRWHLGGMAI-GOEBONIOSA-N 0 1 299.480 2.878 20 30 CFEDMN Cc1c([C@H](C)NCc2ccc(C#N)c(C)c2)cnn1C ZINC000488263148 383510735 /nfs/dbraw/zinc/51/07/35/383510735.db2.gz KZMBGVWEIWALKK-LBPRGKRZSA-N 0 1 268.364 2.759 20 30 CFEDMN Cc1cc(C)c(C(=O)[C@H](C#N)c2cc(C)nc(C)n2)o1 ZINC000429348470 383521625 /nfs/dbraw/zinc/52/16/25/383521625.db2.gz WTBLJTBYSHSABV-GFCCVEGCSA-N 0 1 269.304 2.793 20 30 CFEDMN Cc1cc(C)c(C(=O)C(C#N)c2cc(C)nc(C)n2)o1 ZINC000429348470 383521629 /nfs/dbraw/zinc/52/16/29/383521629.db2.gz WTBLJTBYSHSABV-GFCCVEGCSA-N 0 1 269.304 2.793 20 30 CFEDMN C=C(CC)CN1[C@H](C)CN(C(=O)C(C)(C)C)C[C@@H]1C ZINC000429393246 383527717 /nfs/dbraw/zinc/52/77/17/383527717.db2.gz KWCVYOMTFLEXHC-OKILXGFUSA-N 0 1 266.429 2.920 20 30 CFEDMN C(#Cc1ccccc1)CN1CC[C@@H](c2ccncc2)C1 ZINC000569706366 383529737 /nfs/dbraw/zinc/52/97/37/383529737.db2.gz NNCINGDIAYPJHZ-GOSISDBHSA-N 0 1 262.356 2.923 20 30 CFEDMN CC1(C)CN(C[C@H](O)CC2(C#N)CC2)[C@H]1c1ccncc1 ZINC000528561592 383578186 /nfs/dbraw/zinc/57/81/86/383578186.db2.gz UEMACTNGWNRRCO-CABCVRRESA-N 0 1 285.391 2.519 20 30 CFEDMN Cc1cc(CN2CCC[C@@H]2c2ccc(=O)[nH]n2)ccc1C#N ZINC000528785255 383637052 /nfs/dbraw/zinc/63/70/52/383637052.db2.gz BLJZXOHTLQDGOR-MRXNPFEDSA-N 0 1 294.358 2.699 20 30 CFEDMN C[C@H]1O[C@@H](C)[C@H](C)[C@H]1NCc1ccc(F)cc1C#N ZINC000528752150 383623613 /nfs/dbraw/zinc/62/36/13/383623613.db2.gz DTIIRKVAYBKHQP-KIGUWFBYSA-N 0 1 262.328 2.599 20 30 CFEDMN CO[C@]1(C)C[C@H](NCc2ccc(F)cc2C#N)C1(C)C ZINC000451497180 383628911 /nfs/dbraw/zinc/62/89/11/383628911.db2.gz VMCDRXVOJSFBPP-GOEBONIOSA-N 0 1 276.355 2.991 20 30 CFEDMN C[C@@H]1CCN(Cc2ncc(C#N)cn2)[C@@H]2CCCC[C@H]12 ZINC000570786120 383633737 /nfs/dbraw/zinc/63/37/37/383633737.db2.gz FEFQNUIGLJJUJA-BPLDGKMQSA-N 0 1 270.380 2.749 20 30 CFEDMN C[C@@H]1CCN(Cc2ncc(C#N)cn2)[C@@H]2CCCC[C@@H]12 ZINC000570786122 383634175 /nfs/dbraw/zinc/63/41/75/383634175.db2.gz FEFQNUIGLJJUJA-VHDGCEQUSA-N 0 1 270.380 2.749 20 30 CFEDMN Cc1ccccc1CNC(=O)CN1CCC(CCC#N)CC1 ZINC000572119080 383755975 /nfs/dbraw/zinc/75/59/75/383755975.db2.gz VUROTVXOFPTZCL-UHFFFAOYSA-N 0 1 299.418 2.627 20 30 CFEDMN CCCN(Cc1ccno1)Cc1ccc(C#N)cc1 ZINC000264596369 383760525 /nfs/dbraw/zinc/76/05/25/383760525.db2.gz BYNRBWSAADGRHU-UHFFFAOYSA-N 0 1 255.321 2.958 20 30 CFEDMN CCc1cncc(C(=O)[C@H](C#N)c2cc(C)nc(C)n2)c1 ZINC000434623634 383770027 /nfs/dbraw/zinc/77/00/27/383770027.db2.gz DFPVNAKXNSRRRU-CQSZACIVSA-N 0 1 280.331 2.541 20 30 CFEDMN CCc1cncc(C(=O)C(C#N)c2cc(C)nc(C)n2)c1 ZINC000434623634 383770031 /nfs/dbraw/zinc/77/00/31/383770031.db2.gz DFPVNAKXNSRRRU-CQSZACIVSA-N 0 1 280.331 2.541 20 30 CFEDMN C=CC[N@@H+](Cc1cccs1)[C@@H](C(=O)[O-])C1CC1 ZINC000571054152 383662183 /nfs/dbraw/zinc/66/21/83/383662183.db2.gz QVMGSJLPWJFHEL-GFCCVEGCSA-N 0 1 251.351 2.599 20 30 CFEDMN CCC(C#N)(CC)C(=O)N[C@H]1CCN(C)[C@H]1c1ccccc1 ZINC000528911588 383674958 /nfs/dbraw/zinc/67/49/58/383674958.db2.gz AKCNADLETUKDDC-HOTGVXAUSA-N 0 1 299.418 2.878 20 30 CFEDMN CC(C)(C)CN(CCC#N)C[C@@H]1CCCC[C@@H]1O ZINC000572768501 383814977 /nfs/dbraw/zinc/81/49/77/383814977.db2.gz BWCKDVGHFLUJNV-KBPBESRZSA-N 0 1 252.402 2.799 20 30 CFEDMN CN(CCCCC#N)[C@@H]1CCN(c2ccccc2F)C1=O ZINC000264843871 383789745 /nfs/dbraw/zinc/78/97/45/383789745.db2.gz JSGVGDHMOIFPAO-OAHLLOKOSA-N 0 1 289.354 2.557 20 30 CFEDMN N#CCCNCCc1c[nH]c2ccc(Br)cc12 ZINC000573084623 383868388 /nfs/dbraw/zinc/86/83/88/383868388.db2.gz KTVMNQXXKWYANF-UHFFFAOYSA-N 0 1 292.180 2.976 20 30 CFEDMN N#Cc1ccc(CN[C@H](c2ccccc2)[C@@H]2CCOC2)nc1 ZINC000573335168 383913822 /nfs/dbraw/zinc/91/38/22/383913822.db2.gz JJBQDRRTWLHDPQ-SJLPKXTDSA-N 0 1 293.370 2.821 20 30 CFEDMN N#CCN(C(=O)c1cnc(-c2ccccc2)[nH]1)C1CCCC1 ZINC000265706924 383982495 /nfs/dbraw/zinc/98/24/95/383982495.db2.gz YTDYPSHRSVQWSF-UHFFFAOYSA-N 0 1 294.358 2.985 20 30 CFEDMN C=C(Cl)CNC(=O)[C@@H](c1ccccc1)N(C)CC ZINC000265517363 383937067 /nfs/dbraw/zinc/93/70/67/383937067.db2.gz LPTOLRHUBXBKOE-CYBMUJFWSA-N 0 1 266.772 2.548 20 30 CFEDMN CCC(N)=NOCc1ccc(OCC(F)(F)F)cc1 ZINC000266325826 384148670 /nfs/dbraw/zinc/14/86/70/384148670.db2.gz SDOXOHFHBHGMPI-UHFFFAOYSA-N 0 1 276.258 2.827 20 30 CFEDMN C#CCN(CC)Cc1cc(=O)oc2cc(CC)ccc12 ZINC000266904396 384257296 /nfs/dbraw/zinc/25/72/96/384257296.db2.gz HJWBNRLFBCSECF-UHFFFAOYSA-N 0 1 269.344 2.811 20 30 CFEDMN C=CCOc1ccccc1CN[C@H](CO)CC(F)(F)F ZINC000641744824 384309713 /nfs/dbraw/zinc/30/97/13/384309713.db2.gz LMBKPZMIKIFGCQ-LBPRGKRZSA-N 0 1 289.297 2.654 20 30 CFEDMN CC#CC[C@@H](CO)NCc1oc2ccccc2c1Cl ZINC000641768125 384335013 /nfs/dbraw/zinc/33/50/13/384335013.db2.gz WYOJCPYGOCIDEX-NSHDSACASA-N 0 1 277.751 2.950 20 30 CFEDMN CC#CC[C@H](CO)NCc1ccc(Cl)cc1Cl ZINC000641768783 384335664 /nfs/dbraw/zinc/33/56/64/384335664.db2.gz HTSKUGSWTGDSIG-GFCCVEGCSA-N 0 1 272.175 2.857 20 30 CFEDMN OC[C@H]1CCCN(CC#Cc2ccc(C(F)(F)F)cc2)C1 ZINC000267362255 384367885 /nfs/dbraw/zinc/36/78/85/384367885.db2.gz IJMHYWANLFIOLR-AWEZNQCLSA-N 0 1 297.320 2.761 20 30 CFEDMN CC#CC[C@H](CO)NCc1c(Cl)oc2ccccc21 ZINC000641767522 384333325 /nfs/dbraw/zinc/33/33/25/384333325.db2.gz LRVZPYDHASKIAO-LLVKDONJSA-N 0 1 277.751 2.950 20 30 CFEDMN CC#CCCCC(=O)N[C@@H](C)c1n[nH]c([C@@H](C)CC)n1 ZINC000277975125 384452733 /nfs/dbraw/zinc/45/27/33/384452733.db2.gz VGUMRBOYVVJLLO-RYUDHWBXSA-N 0 1 276.384 2.689 20 30 CFEDMN CC#CCCCC(=O)N[C@H](C)c1n[nH]c([C@@H](C)CC)n1 ZINC000277975123 384453304 /nfs/dbraw/zinc/45/33/04/384453304.db2.gz VGUMRBOYVVJLLO-NWDGAFQWSA-N 0 1 276.384 2.689 20 30 CFEDMN C#C[C@H](C)NCc1cc(OC)ccc1OCc1ccccn1 ZINC000289311509 197292486 /nfs/dbraw/zinc/29/24/86/197292486.db2.gz DSHDXHHCUNXXLB-AWEZNQCLSA-N 0 1 296.370 2.781 20 30 CFEDMN C=CC[C@H]1CCCN(C(=O)[C@@H](N)c2cccc(OC)c2)C1 ZINC000638409808 384632778 /nfs/dbraw/zinc/63/27/78/384632778.db2.gz SNEIXLJTLYBSIK-BBRMVZONSA-N 0 1 288.391 2.510 20 30 CFEDMN C=CC(C)(C)CCNC(=O)[C@H](N)c1ccc(C)cc1 ZINC000638454603 384673216 /nfs/dbraw/zinc/67/32/16/384673216.db2.gz JQTIEOQRRUNIMV-CQSZACIVSA-N 0 1 260.381 2.713 20 30 CFEDMN C=CC(C)(C)CCNC(=O)[C@](C)(N)c1ccccc1 ZINC000638455504 384674979 /nfs/dbraw/zinc/67/49/79/384674979.db2.gz WHCDUNZMRWLGNG-MRXNPFEDSA-N 0 1 260.381 2.579 20 30 CFEDMN C#CC[C@@H](NC(=O)CN1CCC(C)CC1)c1ccccc1 ZINC000270415545 385095499 /nfs/dbraw/zinc/09/54/99/385095499.db2.gz FJJVNPZKMRZHRP-QGZVFWFLSA-N 0 1 284.403 2.599 20 30 CFEDMN C#CCCN1CCN(Cc2csc(C(C)(C)C)n2)CC1 ZINC000270649770 385176962 /nfs/dbraw/zinc/17/69/62/385176962.db2.gz SYURUAWRCAEBAJ-UHFFFAOYSA-N 0 1 291.464 2.582 20 30 CFEDMN C=CCN1CC[C@H](N2CCCCC[C@@H]2c2ccco2)C1=O ZINC000282136585 385222922 /nfs/dbraw/zinc/22/29/22/385222922.db2.gz ZFVANIWOGGDJNX-CABCVRRESA-N 0 1 288.391 2.984 20 30 CFEDMN C#CCCCN(C)Cc1nc(-c2ccccc2)c[nH]1 ZINC000271037263 385314402 /nfs/dbraw/zinc/31/44/02/385314402.db2.gz LZGABBUBRAVDKW-UHFFFAOYSA-N 0 1 253.349 2.922 20 30 CFEDMN Cn1cccc1CN1CCC(Oc2ccc(C#N)cc2)CC1 ZINC000271152614 385353236 /nfs/dbraw/zinc/35/32/36/385353236.db2.gz FNLFEOZXSXIKOR-UHFFFAOYSA-N 0 1 295.386 2.940 20 30 CFEDMN C[C@@H](NCc1ccc(OCC#N)cc1)c1cncs1 ZINC000271425023 385381323 /nfs/dbraw/zinc/38/13/23/385381323.db2.gz CLVKTRMJAMWHGO-LLVKDONJSA-N 0 1 273.361 2.896 20 30 CFEDMN C[C@@H](N[C@H](C)c1ccc(C#N)c(F)c1)c1cn[nH]c1 ZINC000271910770 385397698 /nfs/dbraw/zinc/39/76/98/385397698.db2.gz ARSXJSLJUJDSCM-NXEZZACHSA-N 0 1 258.300 2.832 20 30 CFEDMN C[C@@H](N[C@@H](C)c1ccc(C#N)c(F)c1)c1cn[nH]c1 ZINC000271910772 385398171 /nfs/dbraw/zinc/39/81/71/385398171.db2.gz ARSXJSLJUJDSCM-VHSXEESVSA-N 0 1 258.300 2.832 20 30 CFEDMN CCn1cc(CN[C@@H](C)c2ccc(C#N)c(F)c2)cn1 ZINC000271919567 385401837 /nfs/dbraw/zinc/40/18/37/385401837.db2.gz DFBZZPVDBCXJIB-NSHDSACASA-N 0 1 272.327 2.765 20 30 CFEDMN C[C@@H](N[C@@H](C)c1ccc(C#N)c(F)c1)C(=O)NC(C)(C)C ZINC000271933639 385405017 /nfs/dbraw/zinc/40/50/17/385405017.db2.gz JHRVANLTLFGWBH-WDEREUQCSA-N 0 1 291.370 2.651 20 30 CFEDMN Cc1cc([C@@H]2CCCN(Cc3ccc(C#N)o3)C2)n[nH]1 ZINC000283003767 385422528 /nfs/dbraw/zinc/42/25/28/385422528.db2.gz KVIIZCNSKJJYGF-GFCCVEGCSA-N 0 1 270.336 2.562 20 30 CFEDMN C=CCN(CCc1ccco1)Cc1ccc(C(=O)OC)o1 ZINC000272331468 385512544 /nfs/dbraw/zinc/51/25/44/385512544.db2.gz WPYDUFOJYWUHNE-UHFFFAOYSA-N 0 1 289.331 2.890 20 30 CFEDMN C=CCC[C@@H](N[C@@H]1CC(=O)N(C(C)C)C1)c1ccco1 ZINC000286238129 385576365 /nfs/dbraw/zinc/57/63/65/385576365.db2.gz TYJCSMDCTOCSGX-ZIAGYGMSSA-N 0 1 276.380 2.886 20 30 CFEDMN C[C@H](CNc1ccnc(C#N)c1)N1CCc2sccc2C1 ZINC000286135305 385563456 /nfs/dbraw/zinc/56/34/56/385563456.db2.gz NFJKVOWBQYTOFO-GFCCVEGCSA-N 0 1 298.415 2.873 20 30 CFEDMN CCC[C@@]1(CO)CCN(Cc2ccc(C#N)cc2F)C1 ZINC000288767613 197161307 /nfs/dbraw/zinc/16/13/07/197161307.db2.gz JIPQLLIUBRSQMW-MRXNPFEDSA-N 0 1 276.355 2.682 20 30 CFEDMN C=C(C)CN1CCc2c(ncn2-c2ccccc2)C1 ZINC000272628627 385579067 /nfs/dbraw/zinc/57/90/67/385579067.db2.gz ZNEIDMINWPOTDL-UHFFFAOYSA-N 0 1 253.349 2.807 20 30 CFEDMN CC1(C#N)CCN(CCOc2ccccc2C#N)CC1 ZINC000272645409 385581986 /nfs/dbraw/zinc/58/19/86/385581986.db2.gz YGUZFWZZEPUJHZ-UHFFFAOYSA-N 0 1 269.348 2.563 20 30 CFEDMN C=CC[C@H](C(=O)N[C@H](C)c1n[nH]c(C)n1)c1ccccc1 ZINC000286445279 385622750 /nfs/dbraw/zinc/62/27/50/385622750.db2.gz ROGULVQNKFVUGD-RISCZKNCSA-N 0 1 284.363 2.650 20 30 CFEDMN C#CCN(Cc1ccc(OC(=O)C2CC2)c(OC)c1)C1CC1 ZINC000274110615 385721525 /nfs/dbraw/zinc/72/15/25/385721525.db2.gz LIVCULNUTMUXLN-UHFFFAOYSA-N 0 1 299.370 2.608 20 30 CFEDMN C=C(C)CCN1Cc2c(OC)ccc(OC)c2[C@@H](O)C1 ZINC000274749837 385862924 /nfs/dbraw/zinc/86/29/24/385862924.db2.gz HIGJJXUWZOVMOK-ZDUSSCGKSA-N 0 1 277.364 2.519 20 30 CFEDMN COC(=O)CCN(Cc1ccc(Cl)cc1C#N)C(C)C ZINC000274765568 385866457 /nfs/dbraw/zinc/86/64/57/385866457.db2.gz FZFVLAFMVKJZBZ-UHFFFAOYSA-N 0 1 294.782 2.985 20 30 CFEDMN C=CC[C@H](C(=O)NCc1cn[nH]c1C)c1ccccc1 ZINC000275158625 385947956 /nfs/dbraw/zinc/94/79/56/385947956.db2.gz QTZSBKACWYMYBY-HNNXBMFYSA-N 0 1 269.348 2.694 20 30 CFEDMN C#C[C@@H](NC(=O)c1ccc(O)c(Cl)c1)C(C)(C)C ZINC000288273219 197040365 /nfs/dbraw/zinc/04/03/65/197040365.db2.gz PZDDFGHGRJKPFB-GFCCVEGCSA-N 0 1 265.740 2.823 20 30 CFEDMN C=C[C@H](CC(=O)N1CCN(CC)C[C@@H]1C)c1ccccc1 ZINC000288216012 197028283 /nfs/dbraw/zinc/02/82/83/197028283.db2.gz CPGJMTRLVIICTQ-JKSUJKDBSA-N 0 1 286.419 2.899 20 30 CFEDMN C=CCSc1ccccc1C(=O)N[C@H]1CCCN(C)C1 ZINC000681621384 542469849 /nfs/dbraw/zinc/46/98/49/542469849.db2.gz CXGHHEHOKGRRPX-ZDUSSCGKSA-N 0 1 290.432 2.789 20 30 CFEDMN C=CCN1CC[C@@H]([N@@H+](C)Cc2cc(C)cc(C)c2)C1=O ZINC000281293775 195184808 /nfs/dbraw/zinc/18/48/08/195184808.db2.gz PEXYFIXTZWQHKG-MRXNPFEDSA-N 0 1 272.392 2.522 20 30 CFEDMN C=CCN1CC[C@@H](N(C)Cc2cc(C)cc(C)c2)C1=O ZINC000281293775 195184809 /nfs/dbraw/zinc/18/48/09/195184809.db2.gz PEXYFIXTZWQHKG-MRXNPFEDSA-N 0 1 272.392 2.522 20 30 CFEDMN CSCCCN(C)CC#Cc1ccc(F)cc1 ZINC000281457482 195247960 /nfs/dbraw/zinc/24/79/60/195247960.db2.gz QWZJUBSCCZQSNV-UHFFFAOYSA-N 0 1 251.370 2.862 20 30 CFEDMN C=CC[C@H](C)NC(=O)[C@@H](c1ccccc1)[N@H+](C)CC ZINC000116851440 260003476 /nfs/dbraw/zinc/00/34/76/260003476.db2.gz FQPWGSSALDZANC-DZGCQCFKSA-N 0 1 260.381 2.760 20 30 CFEDMN C=CC[C@H](C)NC(=O)[C@@H](c1ccccc1)N(C)CC ZINC000116851440 260003478 /nfs/dbraw/zinc/00/34/78/260003478.db2.gz FQPWGSSALDZANC-DZGCQCFKSA-N 0 1 260.381 2.760 20 30 CFEDMN CC(C)(C#N)c1ccc(NC(=O)c2ncccc2O)cc1 ZINC000171247612 335060976 /nfs/dbraw/zinc/06/09/76/335060976.db2.gz ZQPOWURPUKXTGV-UHFFFAOYSA-N 0 1 281.315 2.841 20 30 CFEDMN C=CC[C@H](CC)NC(=O)c1[nH]nc2c1CCCCC2 ZINC000281619057 195310923 /nfs/dbraw/zinc/31/09/23/195310923.db2.gz FPVIOCUYJNMXLR-NSHDSACASA-N 0 1 261.369 2.763 20 30 CFEDMN C=C(C)CN(CC)CC(=O)N[C@H](C)c1cccs1 ZINC000248226328 533505081 /nfs/dbraw/zinc/50/50/81/533505081.db2.gz JIGNNKAKXJIYDS-GFCCVEGCSA-N 0 1 266.410 2.823 20 30 CFEDMN OCCN(CC#Cc1ccccc1)CCc1ccccc1 ZINC000683008869 542627081 /nfs/dbraw/zinc/62/70/81/542627081.db2.gz DMOHWBUNMRQDAN-UHFFFAOYSA-N 0 1 279.383 2.575 20 30 CFEDMN COc1cc(CN2CCS[C@@H](C)[C@@H]2C)ccc1C#N ZINC000234992107 130945495 /nfs/dbraw/zinc/94/54/95/130945495.db2.gz UPJKERJBPXKGQX-RYUDHWBXSA-N 0 1 276.405 2.893 20 30 CFEDMN C[C@H]1CCCCN1CCNc1ncc(C#N)cc1Cl ZINC000263797296 131332837 /nfs/dbraw/zinc/33/28/37/131332837.db2.gz PDKJEEBORSHRTI-NSHDSACASA-N 0 1 278.787 2.893 20 30 CFEDMN C=CCCCCCN(C)Cc1cc(=O)c(OC)co1 ZINC000268529995 132021802 /nfs/dbraw/zinc/02/18/02/132021802.db2.gz IGFVUBDGHWCFKU-UHFFFAOYSA-N 0 1 265.353 2.827 20 30 CFEDMN C[C@@H](c1ccc(C#N)cc1)N(CCO)Cc1cccnc1 ZINC000268702442 132051746 /nfs/dbraw/zinc/05/17/46/132051746.db2.gz RQTWEBNFBPXTRX-AWEZNQCLSA-N 0 1 281.359 2.509 20 30 CFEDMN C[C@@H](N[C@H](C)c1cccc(C#N)c1)c1cnn(C)c1 ZINC000268929286 132090077 /nfs/dbraw/zinc/09/00/77/132090077.db2.gz LTYNEFIEUWDUFY-VXGBXAGGSA-N 0 1 254.337 2.704 20 30 CFEDMN C#Cc1cccc(N(CC)C(=O)[C@H]2CCCc3cn[nH]c32)c1 ZINC000372420547 393447524 /nfs/dbraw/zinc/44/75/24/393447524.db2.gz MMJADLRDMKVQBU-INIZCTEOSA-N 0 1 293.370 2.864 20 30 CFEDMN CC1(CNC(=O)N[C@@H]2CCc3nc[nH]c3C2)CCCCC1 ZINC000329539090 393542661 /nfs/dbraw/zinc/54/26/61/393542661.db2.gz CHCAJDIXGMVCEL-GFCCVEGCSA-N 0 1 290.411 2.741 20 30 CFEDMN C=CCN1CCC(Nc2cc(C#N)ccc2C(C)=O)CC1 ZINC000302085100 393488894 /nfs/dbraw/zinc/48/88/94/393488894.db2.gz DRKJSOQNDXVAME-UHFFFAOYSA-N 0 1 283.375 2.823 20 30 CFEDMN N#Cc1cccc(Cl)c1N1CCC[C@@H](c2nc[nH]n2)C1 ZINC000378217306 393543328 /nfs/dbraw/zinc/54/33/28/393543328.db2.gz KMTALDCRXIFHBD-LLVKDONJSA-N 0 1 287.754 2.714 20 30 CFEDMN Cc1cc(C#N)ccc1CN1CCc2ccccc2[C@@H]1CO ZINC000186305322 393544050 /nfs/dbraw/zinc/54/40/50/393544050.db2.gz MSOPZJZOEMMZOG-IBGZPJMESA-N 0 1 292.382 2.958 20 30 CFEDMN CC(C)CCNC(=O)[C@@H](C)N[C@@H](C)c1ccc(C#N)cc1 ZINC000037502329 393532116 /nfs/dbraw/zinc/53/21/16/393532116.db2.gz QEQDEAFGPJMWJR-UONOGXRCSA-N 0 1 287.407 2.760 20 30 CFEDMN O=C(NCC1(O)CCCCCC1)[C@@H]1CCCN1C1CC1 ZINC000330222863 393551760 /nfs/dbraw/zinc/55/17/60/393551760.db2.gz MVHIPMNVZJWQDZ-AWEZNQCLSA-N 0 1 280.412 2.655 20 30 CFEDMN C=CC1CCN(C(=O)c2cccc3n[nH]cc32)CC1 ZINC000334481173 393603501 /nfs/dbraw/zinc/60/35/01/393603501.db2.gz VZGZBGDVPAJPLY-UHFFFAOYSA-N 0 1 255.321 2.601 20 30 CFEDMN Cc1ccn(C)c1C(=O)C(C#N)c1nc2ccccc2o1 ZINC000190668896 393581882 /nfs/dbraw/zinc/58/18/82/393581882.db2.gz REYOPCIRCLLJNL-NSHDSACASA-N 0 1 279.299 2.965 20 30 CFEDMN Cc1ccn(C)c1C(O)=C(C#N)c1nc2ccccc2o1 ZINC000190668896 393581897 /nfs/dbraw/zinc/58/18/97/393581897.db2.gz REYOPCIRCLLJNL-NSHDSACASA-N 0 1 279.299 2.965 20 30 CFEDMN N#CC1(CCCN2CCO[C@H](C3CCC3)C2)CCOCC1 ZINC000411850863 393755140 /nfs/dbraw/zinc/75/51/40/393755140.db2.gz PNNQOJFTJVHFCE-INIZCTEOSA-N 0 1 292.423 2.588 20 30 CFEDMN N#Cc1ccc(C(=O)NCc2nc3ccc(F)cc3[nH]2)cc1 ZINC000080874180 393729203 /nfs/dbraw/zinc/72/92/03/393729203.db2.gz SLBSEPCVFDIWRN-UHFFFAOYSA-N 0 1 294.289 2.504 20 30 CFEDMN N#Cc1ccc(F)cc1CN1CCC[C@@H]1[C@@H]1CCC[C@@H]1O ZINC000236550203 393786068 /nfs/dbraw/zinc/78/60/68/393786068.db2.gz VMVQCINUYLDVQF-BBWFWOEESA-N 0 1 288.366 2.823 20 30 CFEDMN N#Cc1ccccc1OCc1nc(C2(N)CCCCC2)no1 ZINC000424346500 393837014 /nfs/dbraw/zinc/83/70/14/393837014.db2.gz OYJGJDXYEDBZLN-UHFFFAOYSA-N 0 1 298.346 2.638 20 30 CFEDMN C=CCOCCN1CCOC2(C1)CCCCCC2 ZINC000339025603 393810979 /nfs/dbraw/zinc/81/09/79/393810979.db2.gz OGKSFLNGMWWGCO-UHFFFAOYSA-N 0 1 253.386 2.614 20 30 CFEDMN C=CCOCCN(CCC)[C@@H](C)C(=O)Nc1ccccc1 ZINC000339028836 393811042 /nfs/dbraw/zinc/81/10/42/393811042.db2.gz GRQXYLQKGYMKEQ-HNNXBMFYSA-N 0 1 290.407 2.928 20 30 CFEDMN CC1CCN(CC(=O)N(CCC#N)CC(C)(C)C)CC1 ZINC000343019808 393878387 /nfs/dbraw/zinc/87/83/87/393878387.db2.gz DERZBBUDTGKRLA-UHFFFAOYSA-N 0 1 279.428 2.507 20 30 CFEDMN CN(CC1(C#N)CC1)[C@@H]1CCCN(c2ccccc2)C1 ZINC000343318599 393884029 /nfs/dbraw/zinc/88/40/29/393884029.db2.gz YLRJFCFSDHIMIM-MRXNPFEDSA-N 0 1 269.392 2.891 20 30 CFEDMN C=C(C)CN(C)C(=O)c1cnc(-c2ccccc2)[nH]1 ZINC000345737499 393915930 /nfs/dbraw/zinc/91/59/30/393915930.db2.gz LKNPQKNMQFJWNU-UHFFFAOYSA-N 0 1 255.321 2.725 20 30 CFEDMN CCc1ccc(CN(C)[C@H](C)C(=O)NC2(C#N)CCC2)cc1 ZINC000345770926 393916770 /nfs/dbraw/zinc/91/67/70/393916770.db2.gz MLTCNWYTYUOGAQ-CQSZACIVSA-N 0 1 299.418 2.632 20 30 CFEDMN COc1cc(C#N)ccc1CN1C[C@H](C)S[C@@H](C)C1 ZINC000121065914 393947328 /nfs/dbraw/zinc/94/73/28/393947328.db2.gz BJCRDKKNIYHYGU-RYUDHWBXSA-N 0 1 276.405 2.893 20 30 CFEDMN C=CC[NH+](CC=C)[C@H](CN=c1nc(CC)[n-]s1)C(C)C ZINC000348720623 393957454 /nfs/dbraw/zinc/95/74/54/393957454.db2.gz DHEYNVDDQUNUJX-CYBMUJFWSA-N 0 1 294.468 2.633 20 30 CFEDMN Cc1ccc(CN(C)Cc2cccc(C#N)c2)nc1 ZINC000122093120 393964253 /nfs/dbraw/zinc/96/42/53/393964253.db2.gz NVEBJBPEPUUGKI-UHFFFAOYSA-N 0 1 251.333 2.894 20 30 CFEDMN C#CCN(Cc1ccccc1)Cc1ccc(CO)cc1 ZINC000491128040 394045876 /nfs/dbraw/zinc/04/58/76/394045876.db2.gz YWGWKQFYVZKPTM-UHFFFAOYSA-N 0 1 265.356 2.814 20 30 CFEDMN C#CCN1CCC[C@@H]1COC(=O)[C@H](CC)CC(F)(F)F ZINC000491462135 394051651 /nfs/dbraw/zinc/05/16/51/394051651.db2.gz HIBMMFDWIHSQDO-VXGBXAGGSA-N 0 1 291.313 2.606 20 30 CFEDMN C=CCN1C(=O)N=NC1SC[C@H]1CCc2ccccc21 ZINC000355449325 394065979 /nfs/dbraw/zinc/06/59/79/394065979.db2.gz PACNKKIFFVWJBB-GFCCVEGCSA-N 0 1 287.388 2.992 20 30 CFEDMN C=CCN1CC[C@@H](N(Cc2cccc(F)c2)C(C)C)C1=O ZINC000282084316 394121062 /nfs/dbraw/zinc/12/10/62/394121062.db2.gz UTWXWVMKNRZITH-MRXNPFEDSA-N 0 1 290.382 2.823 20 30 CFEDMN C[C@@H]1CN(C(=O)CCCC#N)[C@@H](C)CN1Cc1ccccc1 ZINC000360391881 394151223 /nfs/dbraw/zinc/15/12/23/394151223.db2.gz HKIMSIMVBKFYCE-CVEARBPZSA-N 0 1 299.418 2.802 20 30 CFEDMN Cc1nn(C(C)C)cc1CNCc1ccc(C#N)s1 ZINC000421355614 394197333 /nfs/dbraw/zinc/19/73/33/394197333.db2.gz ZXCNOVHMLUVTJN-UHFFFAOYSA-N 0 1 274.393 2.995 20 30 CFEDMN N#Cc1ccc(CNc2cc3c(cn2)CCC3)cc1F ZINC000421382194 394212757 /nfs/dbraw/zinc/21/27/57/394212757.db2.gz MAVOENCGEJTUKI-UHFFFAOYSA-N 0 1 267.307 2.615 20 30 CFEDMN CC(C)N(Cc1cc(C#N)ccc1F)[C@H]1CCOC1 ZINC000291747671 394257780 /nfs/dbraw/zinc/25/77/80/394257780.db2.gz KJRXXZUYUBJHSN-AWEZNQCLSA-N 0 1 262.328 2.697 20 30 CFEDMN Cc1ccn(-c2ccccc2CNCc2ccc(C#N)o2)n1 ZINC000136411235 394233682 /nfs/dbraw/zinc/23/36/82/394233682.db2.gz SKSUDHZJIPEUPL-UHFFFAOYSA-N 0 1 292.342 2.935 20 30 CFEDMN Cc1nc(CSc2nc(C(F)(F)F)ccc2C#N)n[nH]1 ZINC000291573000 394247434 /nfs/dbraw/zinc/24/74/34/394247434.db2.gz FCZKHQFQUYZDMM-UHFFFAOYSA-N 0 1 299.281 2.691 20 30 CFEDMN C=CCCCCCN(C)[C@@H](C(N)=O)c1ccc(C#N)cc1 ZINC000150873037 394254644 /nfs/dbraw/zinc/25/46/44/394254644.db2.gz QIDVVAPXIFXSCK-MRXNPFEDSA-N 0 1 285.391 2.763 20 30 CFEDMN C=CCC[C@@H](O)CN(C)C1(C(=O)OCC)CCCCC1 ZINC000151206758 394261426 /nfs/dbraw/zinc/26/14/26/394261426.db2.gz WBZXINVEDDUFDJ-CQSZACIVSA-N 0 1 283.412 2.511 20 30 CFEDMN C=CCN(C)Cc1cccc(OC)c1OC(F)F ZINC000154775524 394301638 /nfs/dbraw/zinc/30/16/38/394301638.db2.gz MWUZYZHSVGHRSR-UHFFFAOYSA-N 0 1 257.280 2.914 20 30 CFEDMN C=C(CC)CN1C[C@@H](c2ccccc2)[C@@](F)(CO)C1 ZINC000451282603 394373171 /nfs/dbraw/zinc/37/31/71/394373171.db2.gz LVFDNCCKSSMUQY-HOTGVXAUSA-N 0 1 263.356 2.753 20 30 CFEDMN COC(=O)c1cccc(CN2[C@H](C)CC[C@H]2C)c1C#N ZINC000535963971 394550321 /nfs/dbraw/zinc/55/03/21/394550321.db2.gz QCNSVFWAIUMMRQ-VXGBXAGGSA-N 0 1 272.348 2.718 20 30 CFEDMN N#Cc1cc(F)ccc1CN[C@H](CO)C1CCCCC1 ZINC000541055623 394662150 /nfs/dbraw/zinc/66/21/50/394662150.db2.gz VFPWWEBTYQYLDW-MRXNPFEDSA-N 0 1 276.355 2.728 20 30 CFEDMN N#Cc1ccc(CNC2(c3ccccc3)CCOCC2)o1 ZINC000540598376 394649823 /nfs/dbraw/zinc/64/98/23/394649823.db2.gz ZXPLNNCZCLXNDV-UHFFFAOYSA-N 0 1 282.343 2.947 20 30 CFEDMN C=CCOCCCN1CCO[C@@](C)(c2ccccc2)C1 ZINC000564747506 395082058 /nfs/dbraw/zinc/08/20/58/395082058.db2.gz MISLBIVJBSEVFT-QGZVFWFLSA-N 0 1 275.392 2.827 20 30 CFEDMN C=CCCCCN(C)CC(=O)Nc1cc(C)ccn1 ZINC000649286614 395467787 /nfs/dbraw/zinc/46/77/87/395467787.db2.gz KKXWPIDABCOLIV-UHFFFAOYSA-N 0 1 261.369 2.617 20 30 CFEDMN C=CCC(CC=C)C(=O)N1[C@H](C)CN(C)[C@H](C)[C@@H]1C ZINC000650153034 395617204 /nfs/dbraw/zinc/61/72/04/395617204.db2.gz NXNRWZNMZKXICG-MCIONIFRSA-N 0 1 264.413 2.694 20 30 CFEDMN CCC[C@@H](C)CN1CCN(c2snc(C)c2C#N)CC1 ZINC000356270496 155203495 /nfs/dbraw/zinc/20/34/95/155203495.db2.gz BYXVRXMTGILONI-GFCCVEGCSA-N 0 1 292.452 2.881 20 30 CFEDMN C=C(C)CCNC(=O)c1ccc(CN(CC)CC)o1 ZINC000650930650 413240359 /nfs/dbraw/zinc/24/03/59/413240359.db2.gz JHFDWMAJJYPDFR-UHFFFAOYSA-N 0 1 264.369 2.817 20 30 CFEDMN C[C@@H]1CCN(Cc2ccc(C#N)cc2C(F)(F)F)[C@H]1CO ZINC000356425820 155261390 /nfs/dbraw/zinc/26/13/90/155261390.db2.gz NNFLRBSJPDFGAS-YGRLFVJLSA-N 0 1 298.308 2.780 20 30 CFEDMN C=CC[C@@H]1CCCC[C@H]1NC(=O)NCc1cn[nH]c1C ZINC000663690125 413320021 /nfs/dbraw/zinc/32/00/21/413320021.db2.gz QDHLULPBAVVNMK-TZMCWYRMSA-N 0 1 276.384 2.652 20 30 CFEDMN COc1ccc(C#N)cc1CN1CCOCC2(CCC2)C1 ZINC000363897178 156205000 /nfs/dbraw/zinc/20/50/00/156205000.db2.gz BWQSUUXRRVNRKI-UHFFFAOYSA-N 0 1 286.375 2.569 20 30 CFEDMN C=CCCn1cc(CN([C@@H](C)C2CC2)C2CC2)nn1 ZINC000653496350 413333456 /nfs/dbraw/zinc/33/34/56/413333456.db2.gz OFOPMXIKTLOURX-LBPRGKRZSA-N 0 1 260.385 2.617 20 30 CFEDMN N#Cc1ccc(CN2CCCO[C@H]3CCC[C@@H]32)s1 ZINC000374255306 157089726 /nfs/dbraw/zinc/08/97/26/157089726.db2.gz QDGBDMVITWAAKO-KBPBESRZSA-N 0 1 262.378 2.763 20 30 CFEDMN Cc1nc([C@@H]2CCCN(Cc3ccc(C#N)cc3)C2)no1 ZINC000375765183 157280503 /nfs/dbraw/zinc/28/05/03/157280503.db2.gz PKDZGVMUAOGVQP-OAHLLOKOSA-N 0 1 282.347 2.629 20 30 CFEDMN C[C@@H]1CCCc2[nH+]cc(C([O-])=C(C#N)c3ccccn3)n21 ZINC000651263358 413385548 /nfs/dbraw/zinc/38/55/48/413385548.db2.gz LMAPSJAEBYLQJD-VXGBXAGGSA-N 0 1 280.331 2.665 20 30 CFEDMN C=CCCn1cc(CN(C)[C@@H]2CCC(C)(C)C2)nn1 ZINC000653654032 413429963 /nfs/dbraw/zinc/42/99/63/413429963.db2.gz WVHLPHKIQGARSU-CQSZACIVSA-N 0 1 262.401 2.865 20 30 CFEDMN C=CCCn1cc(CN(CC2CC2)C2CCC2)nn1 ZINC000653654594 413429544 /nfs/dbraw/zinc/42/95/44/413429544.db2.gz YKOYVKYHCOTNPY-UHFFFAOYSA-N 0 1 260.385 2.619 20 30 CFEDMN CC(C)CN(Cc1ccc(C#N)cc1)C(=O)Cc1ccn[nH]1 ZINC000344851652 162134869 /nfs/dbraw/zinc/13/48/69/162134869.db2.gz BMXAPGYVHKSPIQ-UHFFFAOYSA-N 0 1 296.374 2.509 20 30 CFEDMN C[C@H](N[C@H](CO)CC(F)(F)F)c1ccc(C#N)c(F)c1 ZINC000346216469 162355802 /nfs/dbraw/zinc/35/58/02/162355802.db2.gz SYUHHBFXXPJLTP-KWQFWETISA-N 0 1 290.260 2.661 20 30 CFEDMN CC(C)(C)[C@@H]1C[C@@H](NCc2nc(C#N)cs2)CCO1 ZINC000352811290 163239194 /nfs/dbraw/zinc/23/91/94/163239194.db2.gz RPXWFTVABMVDBT-JQWIXIFHSA-N 0 1 279.409 2.698 20 30 CFEDMN N#Cc1csc(CNCCc2cc(F)cc(F)c2)n1 ZINC000352836389 163247477 /nfs/dbraw/zinc/24/74/77/163247477.db2.gz SUAYVUMTORQGSB-UHFFFAOYSA-N 0 1 279.315 2.625 20 30 CFEDMN N#Cc1csc(CNCCCOc2ccc(F)cc2)n1 ZINC000352837526 163247821 /nfs/dbraw/zinc/24/78/21/163247821.db2.gz BDEGJSGKCFSFEV-UHFFFAOYSA-N 0 1 291.351 2.713 20 30 CFEDMN CC(C)O[C@H]1C[C@@H](NCc2nc(C#N)cs2)C1(C)C ZINC000352863632 163254856 /nfs/dbraw/zinc/25/48/56/163254856.db2.gz VTNIGQWTMDZQJE-NEPJUHHUSA-N 0 1 279.409 2.696 20 30 CFEDMN CC(C)O[C@@H]1C[C@@H](NCc2nc(C#N)cs2)C1(C)C ZINC000352863636 163255492 /nfs/dbraw/zinc/25/54/92/163255492.db2.gz VTNIGQWTMDZQJE-VXGBXAGGSA-N 0 1 279.409 2.696 20 30 CFEDMN COc1cc2c(cc1CNCc1cccc(C#N)c1)OCO2 ZINC000352996747 163284626 /nfs/dbraw/zinc/28/46/26/163284626.db2.gz AMKSHTSCDOWWDC-UHFFFAOYSA-N 0 1 296.326 2.585 20 30 CFEDMN COc1cc(CNCc2cccnc2C)ccc1C#N ZINC000353229036 163322338 /nfs/dbraw/zinc/32/23/38/163322338.db2.gz QQZRVFHMGQSDCC-UHFFFAOYSA-N 0 1 267.332 2.560 20 30 CFEDMN N#Cc1ccc2c(c1)[C@H](N[C@@H](CO)c1ccccc1)CC2 ZINC000353258638 163330843 /nfs/dbraw/zinc/33/08/43/163330843.db2.gz RIDMDRATRBJQKA-MSOLQXFVSA-N 0 1 278.355 2.869 20 30 CFEDMN CN(C)c1cccc(CN[C@@H]2CCc3ccc(C#N)cc32)n1 ZINC000353268263 163334209 /nfs/dbraw/zinc/33/42/09/163334209.db2.gz QXYVEUHGXPLENF-QGZVFWFLSA-N 0 1 292.386 2.796 20 30 CFEDMN C=CC[C@H]1CCCC[C@@H]1NC(=O)NCc1cc(C)[nH]n1 ZINC000660716736 413512589 /nfs/dbraw/zinc/51/25/89/413512589.db2.gz YDMZDXSTZDJVSM-JSGCOSHPSA-N 0 1 276.384 2.652 20 30 CFEDMN C=C[C@@H]1OCC[C@H]1NCc1nsc2ccccc12 ZINC000660723429 413515896 /nfs/dbraw/zinc/51/58/96/413515896.db2.gz YAMKDQDSPVAXQC-YPMHNXCESA-N 0 1 260.362 2.729 20 30 CFEDMN C=CCCn1cc(CNCC(C)(C)[C@@H]2CCCCO2)nn1 ZINC000657394933 413549584 /nfs/dbraw/zinc/54/95/84/413549584.db2.gz WDWKNVJBXHRFSK-HNNXBMFYSA-N 0 1 292.427 2.539 20 30 CFEDMN C=CCCOCCNCc1ccc(F)c(F)c1F ZINC000657419778 413581994 /nfs/dbraw/zinc/58/19/94/413581994.db2.gz XGQPPBGWVUTBPD-UHFFFAOYSA-N 0 1 259.271 2.786 20 30 CFEDMN C=CCOCCNCc1cc(F)ccc1OC(F)F ZINC000657429122 413594674 /nfs/dbraw/zinc/59/46/74/413594674.db2.gz DWDXXKVJWGQLPE-UHFFFAOYSA-N 0 1 275.270 2.719 20 30 CFEDMN C=CC[C@H]1CCCC[C@H]1Nc1ncnc2[nH]cnc21 ZINC000664142795 413598022 /nfs/dbraw/zinc/59/80/22/413598022.db2.gz LBNZKFVYPQWBAF-WDEREUQCSA-N 0 1 257.341 2.900 20 30 CFEDMN C=CCCn1cc(CNCCc2ccc3[nH]ccc3c2)nn1 ZINC000657458934 413631962 /nfs/dbraw/zinc/63/19/62/413631962.db2.gz RKNVLKJUYYDVRS-UHFFFAOYSA-N 0 1 295.390 2.668 20 30 CFEDMN C=CCCn1cc(CNCCc2cc(C)ccc2F)nn1 ZINC000657482512 413669638 /nfs/dbraw/zinc/66/96/38/413669638.db2.gz AGSOVKPHSKFGRH-UHFFFAOYSA-N 0 1 288.370 2.634 20 30 CFEDMN C=CCN(Cc1cncc(Br)c1)[C@H](C)COC ZINC000661240948 413841629 /nfs/dbraw/zinc/84/16/29/413841629.db2.gz UJHTUZLECDBZFH-LLVKDONJSA-N 0 1 299.212 2.867 20 30 CFEDMN C=CC[N@H+](CCN(C)c1ccccc1)[C@@H](C)COC ZINC000661241743 413845288 /nfs/dbraw/zinc/84/52/88/413845288.db2.gz AXDXOSXEZTZFGU-HNNXBMFYSA-N 0 1 262.397 2.646 20 30 CFEDMN C=CC[N@@H+](Cc1ccccc1N(C)C)[C@@H](C)COC ZINC000661242131 413846823 /nfs/dbraw/zinc/84/68/23/413846823.db2.gz HGXPSBBEIXRJLR-AWEZNQCLSA-N 0 1 262.397 2.776 20 30 CFEDMN C=CCCCCCNC(=O)N1CCC[N@H+](C(C)C)CC1 ZINC000654665760 413951339 /nfs/dbraw/zinc/95/13/39/413951339.db2.gz KJUJWXHCCMOELN-UHFFFAOYSA-N 0 1 281.444 2.859 20 30 CFEDMN C=CCOc1ccc(CNCc2ccnn2CC)cc1 ZINC000285587521 196335147 /nfs/dbraw/zinc/33/51/47/196335147.db2.gz ORTHXGJQCJNBMS-UHFFFAOYSA-N 0 1 271.364 2.758 20 30 CFEDMN COc1ccc(CNCc2ccc(C#N)cc2)cc1O ZINC000037505885 173241666 /nfs/dbraw/zinc/24/16/66/173241666.db2.gz IQLNKQOAGMSKLL-UHFFFAOYSA-N 0 1 268.316 2.562 20 30 CFEDMN C=CCCCCCNC(=O)c1[nH]nc2c1CCCC2 ZINC000655246456 414156725 /nfs/dbraw/zinc/15/67/25/414156725.db2.gz HIHGUHLBTZYMSC-UHFFFAOYSA-N 0 1 261.369 2.765 20 30 CFEDMN C=CCC(C)(C)C(=O)N1CCN(C(C)(C)CC)CC1 ZINC000655269274 414164451 /nfs/dbraw/zinc/16/44/51/414164451.db2.gz LIBLRRGRHWUXDF-UHFFFAOYSA-N 0 1 266.429 2.922 20 30 CFEDMN C=CCN(CC(=O)N1CCc2ccccc21)C(C)(C)C ZINC000661754834 414195587 /nfs/dbraw/zinc/19/55/87/414195587.db2.gz DAAQPLINGXWWTJ-UHFFFAOYSA-N 0 1 272.392 2.862 20 30 CFEDMN C=CC[C@@H]1CCCC[C@@H]1NC(=O)NCCN1CC=CCC1 ZINC000665388511 414317194 /nfs/dbraw/zinc/31/71/94/414317194.db2.gz PSKWHSXURJITDN-CVEARBPZSA-N 0 1 291.439 2.682 20 30 CFEDMN C=C1C[C@H]2CC[C@@H](C1)N2CC(=O)N(C)Cc1cccs1 ZINC000662082383 414402108 /nfs/dbraw/zinc/40/21/08/414402108.db2.gz ZQGHKVSECOVZCP-OKILXGFUSA-N 0 1 290.432 2.890 20 30 CFEDMN C=CC[C@H]1CCCN(C(=O)[C@](C)(N)c2ccccc2)C1 ZINC000662858547 414623817 /nfs/dbraw/zinc/62/38/17/414623817.db2.gz YGKYKVFYMPLSGK-WMLDXEAASA-N 0 1 272.392 2.675 20 30 CFEDMN C=CC[C@@H]1CCCN(C(=O)[C@](C)(N)c2ccccc2)C1 ZINC000662858546 414624194 /nfs/dbraw/zinc/62/41/94/414624194.db2.gz YGKYKVFYMPLSGK-RHSMWYFYSA-N 0 1 272.392 2.675 20 30 CFEDMN C=CC[C@H](Cc1ccccc1)n1cc(CNCC)nn1 ZINC000656457961 414580734 /nfs/dbraw/zinc/58/07/34/414580734.db2.gz USCNNQSJZDRWJI-MRXNPFEDSA-N 0 1 270.380 2.748 20 30 CFEDMN CN(C)[C@@H](CNC(=O)c1cccc(C#N)c1)c1cccs1 ZINC000038628936 174150211 /nfs/dbraw/zinc/15/02/11/174150211.db2.gz ZGILYLCNCWXCTD-AWEZNQCLSA-N 0 1 299.399 2.652 20 30 CFEDMN C=CCC[C@H](N[C@H](C)CS(=O)(=O)CC)c1ccco1 ZINC000286112244 196500903 /nfs/dbraw/zinc/50/09/03/196500903.db2.gz NTNTUPRHNNRLDM-OLZOCXBDSA-N 0 1 285.409 2.700 20 30 CFEDMN CCN(C[C@@H](C)C#N)C(=O)c1ccc(O)c(Cl)c1 ZINC000042448244 174741795 /nfs/dbraw/zinc/74/17/95/174741795.db2.gz BSOBSGBDGGLAMX-VIFPVBQESA-N 0 1 266.728 2.667 20 30 CFEDMN C[C@@H]1CN(CCCOc2ccc(C#N)cc2)CC(C)(C)O1 ZINC000044477658 175178617 /nfs/dbraw/zinc/17/86/17/175178617.db2.gz RDGAUMNHCPNDPD-CQSZACIVSA-N 0 1 288.391 2.826 20 30 CFEDMN CCCCN(C)[C@H](C)C(=O)Nc1oc(C)c(C)c1C#N ZINC000071832577 176273759 /nfs/dbraw/zinc/27/37/59/176273759.db2.gz NBEASFWKXMZWFK-LLVKDONJSA-N 0 1 277.368 2.827 20 30 CFEDMN N#CCc1ccccc1S(=O)(=O)Nc1ccsc1 ZINC000334613960 225094118 /nfs/dbraw/zinc/09/41/18/225094118.db2.gz RYJKRTIPXCVFQQ-UHFFFAOYSA-N 0 1 278.358 2.615 20 30 CFEDMN N#CC(C(=O)c1ccc2ccccc2n1)c1ccncn1 ZINC000354465859 227004105 /nfs/dbraw/zinc/00/41/05/227004105.db2.gz IODVQIAPYAKSBK-GFCCVEGCSA-N 0 1 274.283 2.515 20 30 CFEDMN N#C[C@@H](C(=O)c1ccc2ccccc2n1)c1ccncn1 ZINC000354465859 227004107 /nfs/dbraw/zinc/00/41/07/227004107.db2.gz IODVQIAPYAKSBK-GFCCVEGCSA-N 0 1 274.283 2.515 20 30 CFEDMN Cc1ccc(Cl)cc1C(=O)C(C#N)c1ccncn1 ZINC000354472570 227005409 /nfs/dbraw/zinc/00/54/09/227005409.db2.gz PCQVOVCGPRUVOU-LBPRGKRZSA-N 0 1 271.707 2.929 20 30 CFEDMN Cc1ccc(Cl)cc1C(=O)C(C#N)c1ccncn1 ZINC000354472567 227006918 /nfs/dbraw/zinc/00/69/18/227006918.db2.gz PCQVOVCGPRUVOU-GFCCVEGCSA-N 0 1 271.707 2.929 20 30 CFEDMN O=C(NCc1nnc[nH]1)[C@@H]1CCC[C@@H]2CCCC[C@@H]12 ZINC000329023280 227261441 /nfs/dbraw/zinc/26/14/41/227261441.db2.gz UJYPAAIOXQACRO-QJPTWQEYSA-N 0 1 262.357 2.868 20 30 CFEDMN Cc1n[nH]c(C(F)F)c1NC(=O)C[C@@H]1CCOC1 ZINC000329273981 227398850 /nfs/dbraw/zinc/39/88/50/227398850.db2.gz JDZVBXUCEHSSQX-ZETCQYMHSA-N 0 1 259.256 2.670 20 30 CFEDMN N#Cc1cccc(NC(=O)CCN2CCO[C@@H](C3CC3)C2)c1 ZINC000330111754 228042093 /nfs/dbraw/zinc/04/20/93/228042093.db2.gz BJMKSMFDTLZTRZ-MRXNPFEDSA-N 0 1 299.374 2.647 20 30 CFEDMN O=C(N[C@@H]1CCCC(F)(F)C1)N[C@H]1CCCc2cn[nH]c21 ZINC000330248056 228078583 /nfs/dbraw/zinc/07/85/83/228078583.db2.gz ZCPWUUUDTJPZSA-MNOVXSKESA-N 0 1 298.337 2.869 20 30 CFEDMN N#CC1(CN2CCC(c3ccc(O)cc3)CC2)CC1 ZINC000335953983 228169434 /nfs/dbraw/zinc/16/94/34/228169434.db2.gz SZIAZQVQNBHAGA-UHFFFAOYSA-N 0 1 256.349 2.875 20 30 CFEDMN COCCN(CC#Cc1ccc(Cl)cc1)C1CC1 ZINC000352022614 228174740 /nfs/dbraw/zinc/17/47/40/228174740.db2.gz PJWDDAWPJOWWOP-UHFFFAOYSA-N 0 1 263.768 2.802 20 30 CFEDMN Cc1ccc(C#N)c(NCC2CN(Cc3ccccc3)C2)n1 ZINC000716226443 782033808 /nfs/dbraw/zinc/03/38/08/782033808.db2.gz FTFMADSBMKVHRA-UHFFFAOYSA-N 0 1 292.386 2.806 20 30 CFEDMN COc1ccc(CO)cc1-c1nccc2[nH]cc(C#N)c21 ZINC001243169466 782030468 /nfs/dbraw/zinc/03/04/68/782030468.db2.gz NJBYVIPMQRPXCT-UHFFFAOYSA-N 0 1 279.299 2.602 20 30 CFEDMN Cc1cc(C)cc(N(CCC#N)C(=O)CN2CCCC2)c1 ZINC000058874288 260227771 /nfs/dbraw/zinc/22/77/71/260227771.db2.gz AWONXBWNAAQYKS-UHFFFAOYSA-N 0 1 285.391 2.646 20 30 CFEDMN C[C@@H]1C[C@@H](C)CN(CC(=O)N(CCC#N)c2ccccc2)C1 ZINC000069874625 260263279 /nfs/dbraw/zinc/26/32/79/260263279.db2.gz FBJBEQRAZOJYPA-HZPDHXFCSA-N 0 1 299.418 2.911 20 30 CFEDMN CC1(C)CCCN1CC(=O)N(CCC#N)c1ccccc1 ZINC000077382721 260296265 /nfs/dbraw/zinc/29/62/65/260296265.db2.gz CYRDZLKYSFFOHR-UHFFFAOYSA-N 0 1 285.391 2.808 20 30 CFEDMN CCO[C@H]1C[C@H](N(C)Cc2ccc(C#N)cn2)C12CCC2 ZINC000517956854 260329202 /nfs/dbraw/zinc/32/92/02/260329202.db2.gz KNEGABIEBNBZKS-HOTGVXAUSA-N 0 1 285.391 2.733 20 30 CFEDMN N#CC1(c2ccccc2)CC(N[C@H](CO)c2ccccc2)C1 ZINC000126989266 260360384 /nfs/dbraw/zinc/36/03/84/260360384.db2.gz RGZOYTBBSICMBF-JLAWEPINSA-N 0 1 292.382 2.934 20 30 CFEDMN Cc1csc(C(C#N)C(=O)NC2CCCCC2)n1 ZINC000155396437 261101545 /nfs/dbraw/zinc/10/15/45/261101545.db2.gz MQRWBKTZRSQXKP-NSHDSACASA-N 0 1 263.366 2.508 20 30 CFEDMN N#C[C@H](C(=O)c1cscn1)c1nc2ccccc2[nH]1 ZINC000103329246 261280226 /nfs/dbraw/zinc/28/02/26/261280226.db2.gz RIZIZJOHXQQPGG-MRVPVSSYSA-N 0 1 268.301 2.509 20 30 CFEDMN N#CC(C(=O)c1cscn1)c1nc2ccccc2[nH]1 ZINC000103329246 261280228 /nfs/dbraw/zinc/28/02/28/261280228.db2.gz RIZIZJOHXQQPGG-MRVPVSSYSA-N 0 1 268.301 2.509 20 30 CFEDMN C#C[C@@H](C)N(C)C(=O)[C@H](c1ccccc1)N(CC)CC ZINC000491763806 262014820 /nfs/dbraw/zinc/01/48/20/262014820.db2.gz CCIQGHRNDNABSM-ZBFHGGJFSA-N 0 1 272.392 2.550 20 30 CFEDMN N#C[C@@H](c1ccccc1)N1CCN(C[C@@H]2CCC=CO2)CC1 ZINC000191057153 262188780 /nfs/dbraw/zinc/18/87/80/262188780.db2.gz XZOCSGRMTYDSDU-ROUUACIJSA-N 0 1 297.402 2.562 20 30 CFEDMN CCCn1ccnc1CCCN(C)C[C@@H](C#N)CCC#N ZINC000191513602 262192668 /nfs/dbraw/zinc/19/26/68/262192668.db2.gz XLABVNQEXBUQMQ-OAHLLOKOSA-N 0 1 287.411 2.601 20 30 CFEDMN CCc1nc(CN2CCC[C@@H]2[C@H](C#N)c2ccccc2)n[nH]1 ZINC000364282970 262194837 /nfs/dbraw/zinc/19/48/37/262194837.db2.gz YAWQZNKDHXRHLS-HUUCEWRRSA-N 0 1 295.390 2.639 20 30 CFEDMN N#C[C@H]1CCC[C@@H](NCC(=O)Nc2ccc(Cl)cc2)C1 ZINC000192757698 262210132 /nfs/dbraw/zinc/21/01/32/262210132.db2.gz DLVIMCJKIVIBNX-SMDDNHRTSA-N 0 1 291.782 2.950 20 30 CFEDMN COc1ccc2c(c1)nc(CN[C@H]1CCC[C@H](C#N)C1)n2C ZINC000193301185 262220237 /nfs/dbraw/zinc/22/02/37/262220237.db2.gz IEHGNUHMASKXPT-STQMWFEESA-N 0 1 298.390 2.754 20 30 CFEDMN C=CC1CCN(CC(=O)NC2CCC(C)CC2)CC1 ZINC000111256800 262258248 /nfs/dbraw/zinc/25/82/48/262258248.db2.gz QBSZJQSWGAAFAH-UHFFFAOYSA-N 0 1 264.413 2.579 20 30 CFEDMN C=CC1CCN([C@H](C)C(=O)N2CCc3ccccc32)CC1 ZINC000111258377 262258800 /nfs/dbraw/zinc/25/88/00/262258800.db2.gz XLSVISFQQIBQCH-CQSZACIVSA-N 0 1 284.403 2.862 20 30 CFEDMN C=CC1CCN(CC(=O)Nc2cccc(OC)c2)CC1 ZINC000111259363 262258920 /nfs/dbraw/zinc/25/89/20/262258920.db2.gz HDOMUNVOSKIUDG-UHFFFAOYSA-N 0 1 274.364 2.532 20 30 CFEDMN C=CC1CCN([C@H](C)C(=O)Nc2ccccc2OC)CC1 ZINC000111259769 262259119 /nfs/dbraw/zinc/25/91/19/262259119.db2.gz RSQDCWAJKVPFFK-CYBMUJFWSA-N 0 1 288.391 2.920 20 30 CFEDMN CC(C)(C)N1CC[C@](F)(C(=O)NC2(C#N)CCCCC2)C1 ZINC000367700418 262261888 /nfs/dbraw/zinc/26/18/88/262261888.db2.gz BWVCPHSWLAZOPT-MRXNPFEDSA-N 0 1 295.402 2.542 20 30 CFEDMN CC(C)CCCN1C[C@@H](C#N)[C@]2(C1)c1ccccc1NC2=O ZINC000364850625 262262299 /nfs/dbraw/zinc/26/22/99/262262299.db2.gz CAGHPRQONQQSJY-RDTXWAMCSA-N 0 1 297.402 2.768 20 30 CFEDMN C(#Cc1ccccc1)CN1CCCO[C@H]2CCC[C@@H]21 ZINC000365252477 262354916 /nfs/dbraw/zinc/35/49/16/262354916.db2.gz BPJRSQOGNKDMPP-IRXDYDNUSA-N 0 1 255.361 2.682 20 30 CFEDMN C(#Cc1ccccc1)CN1CCCO[C@H]2CCC[C@H]21 ZINC000365252478 262355070 /nfs/dbraw/zinc/35/50/70/262355070.db2.gz BPJRSQOGNKDMPP-SJORKVTESA-N 0 1 255.361 2.682 20 30 CFEDMN Cc1nc(CN[C@@H]2CCC[C@@H](C#N)C2)c2n1CCCC2 ZINC000373208436 262360050 /nfs/dbraw/zinc/36/00/50/262360050.db2.gz ZFAROAVYSUPVDV-ZIAGYGMSSA-N 0 1 272.396 2.700 20 30 CFEDMN Cc1cc(C(=O)[C@@H](C#N)c2nc3ccccc3n2C)co1 ZINC000187235035 262393777 /nfs/dbraw/zinc/39/37/77/262393777.db2.gz LSGCXMGFMSIMBP-GFCCVEGCSA-N 0 1 279.299 2.965 20 30 CFEDMN Cc1cc(C(=O)C(C#N)c2nc3ccccc3n2C)co1 ZINC000187235035 262393779 /nfs/dbraw/zinc/39/37/79/262393779.db2.gz LSGCXMGFMSIMBP-GFCCVEGCSA-N 0 1 279.299 2.965 20 30 CFEDMN CCOC(=O)[C@@H]1CN([C@H]2CC[C@@H](C#N)C2)Cc2ccccc21 ZINC000339042883 262586839 /nfs/dbraw/zinc/58/68/39/262586839.db2.gz CIRJQHXUZNSJMJ-UKPHBRMFSA-N 0 1 298.386 2.841 20 30 CFEDMN C[C@H](NCc1cccc(OCCCC#N)c1)c1cn[nH]c1 ZINC000339790325 262673746 /nfs/dbraw/zinc/67/37/46/262673746.db2.gz RMGCKJHMGQKRRB-ZDUSSCGKSA-N 0 1 284.363 2.943 20 30 CFEDMN N#CCc1ccc(NC(=O)c2ccc3cncn3c2)cc1 ZINC000339887034 262689091 /nfs/dbraw/zinc/68/90/91/262689091.db2.gz KKDIQYYQUUUBMJ-UHFFFAOYSA-N 0 1 276.299 2.653 20 30 CFEDMN CC(C)(C#N)CCONC(=O)C(C)(C)c1ccccc1 ZINC000272098218 263002274 /nfs/dbraw/zinc/00/22/74/263002274.db2.gz MDVFRDLUPZUAQZ-UHFFFAOYSA-N 0 1 274.364 2.952 20 30 CFEDMN CC(C)C[C@@H](N)c1noc(-c2ccc(CC#N)cc2)n1 ZINC000414624961 263015241 /nfs/dbraw/zinc/01/52/41/263015241.db2.gz WLJYLRHDFPPIOI-CYBMUJFWSA-N 0 1 270.336 2.849 20 30 CFEDMN CC(C)(C#N)c1ccc(-c2nc(C3(N)CCC3)no2)cc1 ZINC000414650607 263021412 /nfs/dbraw/zinc/02/14/12/263021412.db2.gz UKFHINKKHKCCFB-UHFFFAOYSA-N 0 1 282.347 2.876 20 30 CFEDMN C=CCOc1ccccc1C[N@@H+](CCC)CC(=O)[O-] ZINC000414688998 263032443 /nfs/dbraw/zinc/03/24/43/263032443.db2.gz ZGLYVAGEQJDLDI-UHFFFAOYSA-N 0 1 263.337 2.548 20 30 CFEDMN Cc1ccc(-c2n[nH]c(NC(=O)C3(C#N)CCC3)c2C)o1 ZINC000278227029 263045810 /nfs/dbraw/zinc/04/58/10/263045810.db2.gz JQVRJCDPAUUZTL-UHFFFAOYSA-N 0 1 284.319 2.919 20 30 CFEDMN N#C[C@H]1CCC[C@@H](NCc2cn3ccsc3n2)C1 ZINC000278733232 263050150 /nfs/dbraw/zinc/05/01/50/263050150.db2.gz MYJWDVVUEJDCBL-WDEREUQCSA-N 0 1 260.366 2.568 20 30 CFEDMN C#CCn1ccc(CN(CC)CCCC(C)(C)C#N)n1 ZINC000279656133 263056638 /nfs/dbraw/zinc/05/66/38/263056638.db2.gz CDOGXMVTVQHPGX-UHFFFAOYSA-N 0 1 272.396 2.668 20 30 CFEDMN CN(CCCOCc1ccccc1)C[C@H](C#N)CCC#N ZINC000281438986 263069078 /nfs/dbraw/zinc/06/90/78/263069078.db2.gz PUGOEHUTULNLHE-KRWDZBQOSA-N 0 1 285.391 2.969 20 30 CFEDMN CCN(CC)[C@H](CNC(=O)[C@](C)(C#N)CC)c1ccco1 ZINC000285255204 263091526 /nfs/dbraw/zinc/09/15/26/263091526.db2.gz XHJLJSVKHFYDBG-CJNGLKHVSA-N 0 1 291.395 2.719 20 30 CFEDMN CC[C@](C)(C#N)C(=O)Nc1nc(-c2ccc(C)cc2)n[nH]1 ZINC000286041516 263096994 /nfs/dbraw/zinc/09/69/94/263096994.db2.gz QSLXVYAXLSEGBB-OAHLLOKOSA-N 0 1 283.335 2.659 20 30 CFEDMN CC(C)(CCC#N)CN1CCOc2cc(O)ccc2C1 ZINC000289216024 263108314 /nfs/dbraw/zinc/10/83/14/263108314.db2.gz CFYAZLKFDUFIKK-UHFFFAOYSA-N 0 1 274.364 2.917 20 30 CFEDMN N#C[C@@H]1CC[C@@H](N2CCN(Cc3cccc(F)c3)CC2)C1 ZINC000292846815 263135849 /nfs/dbraw/zinc/13/58/49/263135849.db2.gz QAYGVSFBRLRDDN-RHSMWYFYSA-N 0 1 287.382 2.636 20 30 CFEDMN CN(Cc1ccc([S@](C)=O)cc1)[C@H]1CC[C@@H](C#N)C1 ZINC000292888969 263136188 /nfs/dbraw/zinc/13/61/88/263136188.db2.gz UYNAZAUSQQPTQD-TYILLQQXSA-N 0 1 276.405 2.548 20 30 CFEDMN N#CCCOCCN1CCSC[C@H]1c1ccccc1 ZINC000293308373 263139094 /nfs/dbraw/zinc/13/90/94/263139094.db2.gz ZZPWBUIDTBWSDU-HNNXBMFYSA-N 0 1 276.405 2.707 20 30 CFEDMN N#C[C@@H]1CC[C@@H](N2CCC[C@H](Oc3ncccc3F)C2)C1 ZINC000293947133 263152989 /nfs/dbraw/zinc/15/29/89/263152989.db2.gz BMWUZIXMHPLHKE-MCIONIFRSA-N 0 1 289.354 2.756 20 30 CFEDMN C[C@@H](CCC#N)N(C)C[C@@H]1OCCc2ccccc21 ZINC000298039439 263214315 /nfs/dbraw/zinc/21/43/15/263214315.db2.gz GOQDVOJGSUFNOA-BBRMVZONSA-N 0 1 258.365 2.924 20 30 CFEDMN Cc1[nH]ncc1CNC(=O)Nc1ccc(C(C)(C)C#N)cc1 ZINC000298596454 263222469 /nfs/dbraw/zinc/22/24/69/263222469.db2.gz XMDUTNUHGYHNAD-UHFFFAOYSA-N 0 1 297.362 2.841 20 30 CFEDMN CCC[C@H]1CCCN(CC(=O)NC2(C#N)CCCCC2)C1 ZINC000120927865 263286801 /nfs/dbraw/zinc/28/68/01/263286801.db2.gz ZKAKEHVJBSITHB-HNNXBMFYSA-N 0 1 291.439 2.841 20 30 CFEDMN C=CCCC[N@H+](C)[C@H](C)C(=O)Nc1oc(C)c(C)c1C#N ZINC000121156827 263289866 /nfs/dbraw/zinc/28/98/66/263289866.db2.gz GYGPWMMKGOFYTM-GFCCVEGCSA-N 0 1 289.379 2.993 20 30 CFEDMN C=CCCCN(C)[C@H](C)C(=O)Nc1oc(C)c(C)c1C#N ZINC000121156827 263289868 /nfs/dbraw/zinc/28/98/68/263289868.db2.gz GYGPWMMKGOFYTM-GFCCVEGCSA-N 0 1 289.379 2.993 20 30 CFEDMN C[C@@H]1C[C@H](O)CN1CC#Cc1ccc(C(F)(F)F)cc1 ZINC000340913799 263314446 /nfs/dbraw/zinc/31/44/46/263314446.db2.gz GZLFYOQSXYZFBK-RISCZKNCSA-N 0 1 283.293 2.512 20 30 CFEDMN CC#CCN(C)C(=O)c1cc(-c2ccc(Cl)cc2)[nH]n1 ZINC000341070787 263317327 /nfs/dbraw/zinc/31/73/27/263317327.db2.gz NTPSUWVWISJVGL-UHFFFAOYSA-N 0 1 287.750 2.825 20 30 CFEDMN COCC1(C#N)CCN(CCCCC(F)(F)F)CC1 ZINC000341993546 263382637 /nfs/dbraw/zinc/38/26/37/263382637.db2.gz PNQBTYUHLFNXSI-UHFFFAOYSA-N 0 1 278.318 2.971 20 30 CFEDMN CC(C)[C@@H](C)[N@@H+](C)CC(=O)N(C)C1(C#N)CCCCC1 ZINC000341803624 263354263 /nfs/dbraw/zinc/35/42/63/263354263.db2.gz AAPULNABBDQLJT-CQSZACIVSA-N 0 1 279.428 2.648 20 30 CFEDMN CCOc1ccc(CN2CCC(C#N)(COC)CC2)cc1 ZINC000341989031 263380884 /nfs/dbraw/zinc/38/08/84/263380884.db2.gz JBZWWSYCVUOTDA-UHFFFAOYSA-N 0 1 288.391 2.837 20 30 CFEDMN C=CCN1CCN(c2cccc(Br)c2)CC1 ZINC000341986303 263381088 /nfs/dbraw/zinc/38/10/88/263381088.db2.gz YRPFQVNNDCEDKJ-UHFFFAOYSA-N 0 1 281.197 2.757 20 30 CFEDMN C=CCOc1cccnc1C(=O)Nc1ccc2nc[nH]c2c1 ZINC000342062781 263384543 /nfs/dbraw/zinc/38/45/43/263384543.db2.gz CAIBTWYPNNULPO-UHFFFAOYSA-N 0 1 294.314 2.775 20 30 CFEDMN N#CCC[C@H](NCc1ccc(C(N)=O)cc1)c1ccccc1 ZINC000342188925 263396749 /nfs/dbraw/zinc/39/67/49/263396749.db2.gz DMPSDIDMCLYZSB-KRWDZBQOSA-N 0 1 293.370 2.920 20 30 CFEDMN C=CCCCN1CCN(CC(F)(F)F)[C@@H](C)C1 ZINC000342875880 263536881 /nfs/dbraw/zinc/53/68/81/263536881.db2.gz YYJVCZUGCHBTQQ-NSHDSACASA-N 0 1 250.308 2.521 20 30 CFEDMN CCc1ncc(NC(=O)N[C@@H]2CCc3ccccc3C2)cn1 ZINC000328600795 263838408 /nfs/dbraw/zinc/83/84/08/263838408.db2.gz DGSNEJLYXXHWIT-CQSZACIVSA-N 0 1 296.374 2.922 20 30 CFEDMN C#Cc1ccc(NC(=O)N[C@@H]2CCCc3cn[nH]c32)cc1 ZINC000934931792 649857170 /nfs/dbraw/zinc/85/71/70/649857170.db2.gz RJQJZHQWZCRSRI-CQSZACIVSA-N 0 1 280.331 2.590 20 30 CFEDMN Cc1ccc(NC(=O)CN[C@H]2CC[C@H](C#N)C2)c(Cl)c1 ZINC000425341627 264008683 /nfs/dbraw/zinc/00/86/83/264008683.db2.gz DTFPBDYGROZDJC-RYUDHWBXSA-N 0 1 291.782 2.869 20 30 CFEDMN CC(C)(CO)C(C)(C)NC(=O)c1cc(F)cc2nc[nH]c21 ZINC000330814957 264045326 /nfs/dbraw/zinc/04/53/26/264045326.db2.gz NCQHFUSAXWOTRJ-UHFFFAOYSA-N 0 1 293.342 2.804 20 30 CFEDMN CCCCNC([O-])=[NH+][C@H]1CCc2cnn(C(C)C)c2C1 ZINC000331072453 264113729 /nfs/dbraw/zinc/11/37/29/264113729.db2.gz JKCJTQQNJYVTRN-ZDUSSCGKSA-N 0 1 278.400 2.625 20 30 CFEDMN CCCC[NH+]=C([O-])N[C@H]1CCc2cnn(C(C)C)c2C1 ZINC000331072453 264113731 /nfs/dbraw/zinc/11/37/31/264113731.db2.gz JKCJTQQNJYVTRN-ZDUSSCGKSA-N 0 1 278.400 2.625 20 30 CFEDMN Cc1nc(C(C)(C)C)sc1C(=O)NCc1cnc[nH]1 ZINC000331088125 264118518 /nfs/dbraw/zinc/11/85/18/264118518.db2.gz RMXYAEPZYWOSHP-UHFFFAOYSA-N 0 1 278.381 2.977 20 30 CFEDMN C=CCC(C)(C)C(=O)N1CCN([C@@H](C)CC)CC1 ZINC000456530900 264243331 /nfs/dbraw/zinc/24/33/31/264243331.db2.gz ZFCAJMABGRVIOP-ZDUSSCGKSA-N 0 1 252.402 2.531 20 30 CFEDMN C=C[C@](C)(CC)C(=O)N1CCN([C@H](C)CC)CC1 ZINC000456538224 264249950 /nfs/dbraw/zinc/24/99/50/264249950.db2.gz XDEOZAYZUFBQQT-UKRRQHHQSA-N 0 1 252.402 2.531 20 30 CFEDMN C#CCOc1ccc(C[N@@H+]2CCC[C@](CC)(CO)C2)cc1 ZINC000190221389 264395575 /nfs/dbraw/zinc/39/55/75/264395575.db2.gz VRTUDVRFQDPVRB-SFHVURJKSA-N 0 1 287.403 2.683 20 30 CFEDMN C=CC[C@H](CO)CN[C@@H](C)c1nc(C(F)(F)F)cs1 ZINC000343849654 265049338 /nfs/dbraw/zinc/04/93/38/265049338.db2.gz PQYOWHABUUKFQX-IUCAKERBSA-N 0 1 294.342 2.997 20 30 CFEDMN C=CCCC(=O)Nc1ccc(F)c(-c2nc[nH]n2)c1 ZINC000344295288 265056209 /nfs/dbraw/zinc/05/62/09/265056209.db2.gz RGLUQWONROWMEO-UHFFFAOYSA-N 0 1 260.272 2.516 20 30 CFEDMN COC(=O)c1ccc(CN[C@@H]2CC[C@H](C#N)C2)nc1C1CC1 ZINC000349126635 265167496 /nfs/dbraw/zinc/16/74/96/265167496.db2.gz HCPPZXDNKFPWEQ-WCQYABFASA-N 0 1 299.374 2.527 20 30 CFEDMN C=C[C@H](CC(=O)N1CCN(C)[C@H](C)[C@H]1C)c1ccccc1 ZINC000356877968 266202508 /nfs/dbraw/zinc/20/25/08/266202508.db2.gz MVUGUOAFRRWWPG-BZUAXINKSA-N 0 1 286.419 2.897 20 30 CFEDMN C=CCN(CC=C)C(=O)C[N@H+]1CC[C@@H](Cc2ccccc2)C1 ZINC000357723701 266351265 /nfs/dbraw/zinc/35/12/65/266351265.db2.gz AQTJGYNFXFNWQN-SFHVURJKSA-N 0 1 298.430 2.752 20 30 CFEDMN N#C[C@H](c1ccccc1)[C@@H]1CCCN1CCn1ccnc1 ZINC000362727379 267039451 /nfs/dbraw/zinc/03/94/51/267039451.db2.gz RRUQNGDNKZXOPB-SJORKVTESA-N 0 1 280.375 2.655 20 30 CFEDMN COCCCN1CCC[C@@H]1[C@@H](C#N)c1ccccc1 ZINC000363285790 267085015 /nfs/dbraw/zinc/08/50/15/267085015.db2.gz SQMHBJWGFQYIDO-JKSUJKDBSA-N 0 1 258.365 2.795 20 30 CFEDMN Cc1cccc(OC2CCN(CCCC#N)CC2)n1 ZINC000367646710 267106256 /nfs/dbraw/zinc/10/62/56/267106256.db2.gz UKANICNYGLMNDB-UHFFFAOYSA-N 0 1 259.353 2.537 20 30 CFEDMN Cc1nc([C@@H]2CCCN2C(=O)CC#N)[nH]c1-c1ccccc1 ZINC000368917964 267213074 /nfs/dbraw/zinc/21/30/74/267213074.db2.gz AAWLGUIUJAAUIF-AWEZNQCLSA-N 0 1 294.358 2.962 20 30 CFEDMN Cc1nc([C@H]2CCCN2C(=O)CC#N)[nH]c1-c1ccccc1 ZINC000368917965 267213195 /nfs/dbraw/zinc/21/31/95/267213195.db2.gz AAWLGUIUJAAUIF-CQSZACIVSA-N 0 1 294.358 2.962 20 30 CFEDMN CC#CCN[C@@H](C)c1cnn(-c2ccc(F)cc2)c1C ZINC000119408399 267333694 /nfs/dbraw/zinc/33/36/94/267333694.db2.gz ADIRDHPLXBFIRX-LBPRGKRZSA-N 0 1 271.339 2.994 20 30 CFEDMN N#CC1(NC(=O)CN2C[C@H]3CCCCC[C@H]32)CCCCC1 ZINC000371134740 267353250 /nfs/dbraw/zinc/35/32/50/267353250.db2.gz UYOUQTDHMNXKHN-HUUCEWRRSA-N 0 1 289.423 2.594 20 30 CFEDMN CCc1nc([C@H]2CCCN(CCC(C)(C)C#N)C2)no1 ZINC000371203984 267369835 /nfs/dbraw/zinc/36/98/35/267369835.db2.gz DXBDDXAVXIVCCC-LBPRGKRZSA-N 0 1 276.384 2.751 20 30 CFEDMN Cc1nc([C@@H]2CCCCN2CCC(C)(C)C#N)n[nH]1 ZINC000371205281 267370688 /nfs/dbraw/zinc/37/06/88/267370688.db2.gz QDMZSBUJLOUUSR-LBPRGKRZSA-N 0 1 261.373 2.580 20 30 CFEDMN CC[C@H](CC#N)NCc1nc2c(s1)CN(C(C)C)CC2 ZINC000376927550 268030721 /nfs/dbraw/zinc/03/07/21/268030721.db2.gz QLFBEHQDAVYJIR-GFCCVEGCSA-N 0 1 292.452 2.691 20 30 CFEDMN N#Cc1cc(CN[C@@H](c2ccccn2)C2CCC2)ccn1 ZINC000528655178 268179426 /nfs/dbraw/zinc/17/94/26/268179426.db2.gz CKMCCHHEBLSOLI-QGZVFWFLSA-N 0 1 278.359 2.979 20 30 CFEDMN N#Cc1csc(CNC[C@H]2CCCCC2(F)F)n1 ZINC000390887254 270305627 /nfs/dbraw/zinc/30/56/27/270305627.db2.gz XOPKRTAVFMWCMM-SECBINFHSA-N 0 1 271.336 2.930 20 30 CFEDMN C[C@@H](NC(C)(C)c1cnn(C)c1)c1cccc(C#N)c1 ZINC000526949790 270487624 /nfs/dbraw/zinc/48/76/24/270487624.db2.gz FODSXOUFHUIPSE-GFCCVEGCSA-N 0 1 268.364 2.878 20 30 CFEDMN Cc1ccccc1[C@@H](CO)NCc1cccc(C#N)c1 ZINC000531096498 270822273 /nfs/dbraw/zinc/82/22/73/270822273.db2.gz RJKAQHXRVZKSIS-QGZVFWFLSA-N 0 1 266.344 2.690 20 30 CFEDMN CCN1CCN(c2cc(C#N)ccc2C(F)(F)F)CC1 ZINC000127405678 273665861 /nfs/dbraw/zinc/66/58/61/273665861.db2.gz GOJBLZZEUBFITE-UHFFFAOYSA-N 0 1 283.297 2.719 20 30 CFEDMN COC1CC(N(C)CC#Cc2ccc(Cl)cc2)C1 ZINC000352222256 274015888 /nfs/dbraw/zinc/01/58/88/274015888.db2.gz QBUWWIWMYNYYGQ-UHFFFAOYSA-N 0 1 263.768 2.801 20 30 CFEDMN C[C@H](N[C@@H]1c2ccccc2C[C@@H]1O)c1ccc(C#N)s1 ZINC000181567577 274524236 /nfs/dbraw/zinc/52/42/36/274524236.db2.gz OIZGBPYCVZGXNX-JMPLFQLZSA-N 0 1 284.384 2.929 20 30 CFEDMN C#Cc1ccc(CN[C@H](c2cccnc2)C(C)(C)CO)cc1 ZINC000293791318 275388123 /nfs/dbraw/zinc/38/81/23/275388123.db2.gz ZUWNIGSPBXLRAW-GOSISDBHSA-N 0 1 294.398 2.912 20 30 CFEDMN C=C[C@H](CO)N[C@@H](C)c1oc2ccc(OC)cc2c1C ZINC000353581044 275752369 /nfs/dbraw/zinc/75/23/69/275752369.db2.gz YIESWQJGEUTWCB-NWDGAFQWSA-N 0 1 275.348 2.947 20 30 CFEDMN CCO[C@H]1CCN(Cc2cc(C#N)ccc2F)C[C@@H]1C ZINC000451525963 276359255 /nfs/dbraw/zinc/35/92/55/276359255.db2.gz MXMRFZBIPIYOMU-LRDDRELGSA-N 0 1 276.355 2.944 20 30 CFEDMN CSc1cc(CNCc2ccc(C#N)cc2)ccn1 ZINC000357362196 278169888 /nfs/dbraw/zinc/16/98/88/278169888.db2.gz ZENXWELYDWTQRS-UHFFFAOYSA-N 0 1 269.373 2.965 20 30 CFEDMN C[C@@H](C(=O)NC1(C#N)CCC1)N1CCC(C(C)(C)C)CC1 ZINC000346240149 278204014 /nfs/dbraw/zinc/20/40/14/278204014.db2.gz GSWXVSVYSKQNHL-ZDUSSCGKSA-N 0 1 291.439 2.695 20 30 CFEDMN C[C@H](N[C@H]1c2ccccc2C[C@@H]1O)c1cccc(C#N)c1 ZINC000271899534 278285665 /nfs/dbraw/zinc/28/56/65/278285665.db2.gz VJYLLERWYYPSRU-IGNZVWTISA-N 0 1 278.355 2.867 20 30 CFEDMN C[C@@H]1c2ccccc2CN1C(=O)N[C@@H]1CCc2[nH]cnc2C1 ZINC000329641158 279134950 /nfs/dbraw/zinc/13/49/50/279134950.db2.gz CMGQFEIZAQVWHP-DGCLKSJQSA-N 0 1 296.374 2.758 20 30 CFEDMN C[C@@H]1c2ccccc2CN1C([O-])=[NH+][C@@H]1CCc2nc[nH]c2C1 ZINC000329641158 279134953 /nfs/dbraw/zinc/13/49/53/279134953.db2.gz CMGQFEIZAQVWHP-DGCLKSJQSA-N 0 1 296.374 2.758 20 30 CFEDMN C[C@H]1Cc2ccccc2CN1Cc1cc(C#N)n(C)c1 ZINC000191399871 280028297 /nfs/dbraw/zinc/02/82/97/280028297.db2.gz WBYYVAUIHROXLO-ZDUSSCGKSA-N 0 1 265.360 2.844 20 30 CFEDMN Cc1nc2cc(N[C@H]3CC[C@@H](C#N)C3)ccc2n1C ZINC000334756422 282054846 /nfs/dbraw/zinc/05/48/46/282054846.db2.gz HUUFDTMPGRZNSE-NEPJUHHUSA-N 0 1 254.337 2.986 20 30 CFEDMN C[C@H](NCc1cccc(C#N)c1)C(=O)Nc1ccccc1 ZINC000037502357 289822907 /nfs/dbraw/zinc/82/29/07/289822907.db2.gz RNIOXJJGOLHEBR-ZDUSSCGKSA-N 0 1 279.343 2.675 20 30 CFEDMN C[C@H](N[C@@H]1c2ccccc2C[C@H]1O)c1ccc(C#N)cc1 ZINC000271845600 290034300 /nfs/dbraw/zinc/03/43/00/290034300.db2.gz HPJBUHHMUFZSAC-JBBXEZCESA-N 0 1 278.355 2.867 20 30 CFEDMN Cc1nc(N(C)[C@@H]2CCN(C3CC3)C2)c(Cl)cc1C#N ZINC000360070344 293290440 /nfs/dbraw/zinc/29/04/40/293290440.db2.gz HHNAPGWWUFCVOE-CYBMUJFWSA-N 0 1 290.798 2.588 20 30 CFEDMN O=C(N[C@@H]1CCc2nc[nH]c2C1)[C@@H]1CCCCS1 ZINC000329330892 295384590 /nfs/dbraw/zinc/38/45/90/295384590.db2.gz MALGWULEZOYDLW-SKDRFNHKSA-N 0 1 265.382 2.509 20 30 CFEDMN C=C(C)CCN1CC[C@H]1CN(C)C(=O)c1cnc(C)s1 ZINC001085511147 782084141 /nfs/dbraw/zinc/08/41/41/782084141.db2.gz LYYNCJYUKQKSOL-ZDUSSCGKSA-N 0 1 293.436 2.564 20 30 CFEDMN C=CCN(CC=C)C[C@H]1CN(c2ccccc2)CCO1 ZINC000563355816 328057673 /nfs/dbraw/zinc/05/76/73/328057673.db2.gz NRQOOBBHDSNWFI-KRWDZBQOSA-N 0 1 272.392 2.566 20 30 CFEDMN C[C@@H](c1ccccc1F)N(C)CCOCCC#N ZINC000293395880 328095860 /nfs/dbraw/zinc/09/58/60/328095860.db2.gz HDKPHOPXIDIFEF-LBPRGKRZSA-N 0 1 250.317 2.749 20 30 CFEDMN C[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](CCC#N)c1ccccc1 ZINC000571343446 328113337 /nfs/dbraw/zinc/11/33/37/328113337.db2.gz YYNKTURCBACSMF-BBRMVZONSA-N 0 1 296.374 2.750 20 30 CFEDMN C=CCn1c(CCCC)n[n-]c1=[NH+]c1cccc(OC)c1 ZINC000571603299 328136769 /nfs/dbraw/zinc/13/67/69/328136769.db2.gz HSQIWXOQHVYIGC-UHFFFAOYSA-N 0 1 286.379 2.981 20 30 CFEDMN CCn1cc(CN[C@@H](C)c2ccc(OCC#N)cc2)cn1 ZINC000264924950 328163092 /nfs/dbraw/zinc/16/30/92/328163092.db2.gz NDZQLYQUSSNUSH-ZDUSSCGKSA-N 0 1 284.363 2.656 20 30 CFEDMN Cn1c(CNCCCC#N)nc2cc(C(F)(F)F)ccc21 ZINC000273077487 328203613 /nfs/dbraw/zinc/20/36/13/328203613.db2.gz PYKKGEFPNNCSAR-UHFFFAOYSA-N 0 1 296.296 2.985 20 30 CFEDMN CC(C)C[C@@H](N)c1noc([C@]2(C#N)CC23CCCC3)n1 ZINC000414621759 328204565 /nfs/dbraw/zinc/20/45/65/328204565.db2.gz MCQWFFVPARSRAE-IAQYHMDHSA-N 0 1 274.368 2.841 20 30 CFEDMN CN(Cc1ccccc1[N+](=O)[O-])[C@H]1CC[C@H](C#N)C1 ZINC000278616679 328228447 /nfs/dbraw/zinc/22/84/47/328228447.db2.gz NAVNLXXZEHBVOG-AAEUAGOBSA-N 0 1 259.309 2.719 20 30 CFEDMN N#C[C@@H]1CC[C@H](N2CCN(c3ccc(Cl)cn3)CC2)C1 ZINC000278649190 328229270 /nfs/dbraw/zinc/22/92/70/328229270.db2.gz PQMLLPBYCZLMMY-OCCSQVGLSA-N 0 1 290.798 2.549 20 30 CFEDMN CC[C@H]1CN(C(=O)CCCC#N)CCN1Cc1ccccc1 ZINC000291936512 328267643 /nfs/dbraw/zinc/26/76/43/328267643.db2.gz OYBDVLIJOQLSHW-KRWDZBQOSA-N 0 1 299.418 2.803 20 30 CFEDMN C=CCCCCN[C@@H](c1cn[nH]n1)c1ccc(F)cc1 ZINC000340507215 328286294 /nfs/dbraw/zinc/28/62/94/328286294.db2.gz WRDIVYBTUZXDTJ-OAHLLOKOSA-N 0 1 274.343 2.979 20 30 CFEDMN C=CCNC(=O)CNC(c1ccccc1)c1ccccc1 ZINC000016483798 328300377 /nfs/dbraw/zinc/30/03/77/328300377.db2.gz YGSWTQAQQQPXEB-UHFFFAOYSA-N 0 1 280.371 2.668 20 30 CFEDMN COc1cc(CN(C)Cc2cccc(C#N)c2)ccc1O ZINC000170915729 322395800 /nfs/dbraw/zinc/39/58/00/322395800.db2.gz FGLLYLYCYHLSIR-UHFFFAOYSA-N 0 1 282.343 2.904 20 30 CFEDMN C=CC[C@H](CO)CNCc1coc(-c2ccccc2)n1 ZINC000341290444 328404633 /nfs/dbraw/zinc/40/46/33/328404633.db2.gz FZMNQLUGFMDUHR-ZDUSSCGKSA-N 0 1 272.348 2.616 20 30 CFEDMN C[C@H](COc1ccc(F)cc1F)NCc1ccc(C#N)o1 ZINC000174302363 323646588 /nfs/dbraw/zinc/64/65/88/323646588.db2.gz IITIHXRXRJMDTK-SNVBAGLBSA-N 0 1 292.285 2.987 20 30 CFEDMN N#Cc1ccc(CNCc2cccc(N3CCC3=O)c2)s1 ZINC000580419226 325033582 /nfs/dbraw/zinc/03/35/82/325033582.db2.gz QMOCNDUMICCGSC-UHFFFAOYSA-N 0 1 297.383 2.646 20 30 CFEDMN C[C@@H](c1ccccc1)N1CCN(c2cnccc2C#N)CC1 ZINC000582523311 325211219 /nfs/dbraw/zinc/21/12/19/325211219.db2.gz VUHQKWCZCNMHSU-HNNXBMFYSA-N 0 1 292.386 2.836 20 30 CFEDMN N#Cc1ccc2c(c1)[C@@H](N[C@@H]1CCCc3c[nH]nc31)CC2 ZINC000584083067 325328882 /nfs/dbraw/zinc/32/88/82/325328882.db2.gz ZVSYUCKVEMBAKH-JKSUJKDBSA-N 0 1 278.359 2.936 20 30 CFEDMN N#Cc1ccc2c(c1)[C@H](N[C@H]1CCCc3c[nH]nc31)CC2 ZINC000584083064 325329088 /nfs/dbraw/zinc/32/90/88/325329088.db2.gz ZVSYUCKVEMBAKH-CVEARBPZSA-N 0 1 278.359 2.936 20 30 CFEDMN C#CCC(C)(C)C(=O)NC[C@H](c1cccs1)N(C)C ZINC000184904288 328541023 /nfs/dbraw/zinc/54/10/23/328541023.db2.gz DSDMRVKDQUMYIG-GFCCVEGCSA-N 0 1 278.421 2.517 20 30 CFEDMN C=CC[C@@H](CO)[NH2+][C@@H](C)c1cc(Cl)ccc1[O-] ZINC000186687695 326794650 /nfs/dbraw/zinc/79/46/50/326794650.db2.gz YAHXEYADBXSBMA-ONGXEEELSA-N 0 1 255.745 2.633 20 30 CFEDMN C=CCC[C@H](O)C[N@@H+](CC(=O)[O-])Cc1ccc(Cl)cc1 ZINC000518547203 327173307 /nfs/dbraw/zinc/17/33/07/327173307.db2.gz YTHLAWLXUHIVHD-AWEZNQCLSA-N 0 1 297.782 2.554 20 30 CFEDMN CC#CCN(C)CCOc1ccc(Cl)c(F)c1 ZINC000559468277 327247277 /nfs/dbraw/zinc/24/72/77/327247277.db2.gz OFGCSYPFEPRPRH-UHFFFAOYSA-N 0 1 255.720 2.813 20 30 CFEDMN Cn1nccc1[C@@H]1CCCN(CC#Cc2ccc(F)cc2)C1 ZINC000370842787 327251545 /nfs/dbraw/zinc/25/15/45/327251545.db2.gz JKMVIMYBCGIHRS-MRXNPFEDSA-N 0 1 297.377 2.790 20 30 CFEDMN N#CCC[C@@H](C#N)CN1CC[C@H](c2ccccc2)C1 ZINC000112560018 327286561 /nfs/dbraw/zinc/28/65/61/327286561.db2.gz KMVKQLGGTHXNLS-HOCLYGCPSA-N 0 1 253.349 2.919 20 30 CFEDMN C=CCCCCCNC(=O)[C@H]1Cc2ccccc2CN1 ZINC000566470863 327385625 /nfs/dbraw/zinc/38/56/25/327385625.db2.gz PMFTZMJTCBAEGH-MRXNPFEDSA-N 0 1 272.392 2.564 20 30 CFEDMN CCCN1C(=O)N=NC1S[C@H](C#N)c1ccccc1 ZINC000566496799 327399540 /nfs/dbraw/zinc/39/95/40/327399540.db2.gz NTTNWRZNTDIQAG-LLVKDONJSA-N 0 1 274.349 2.751 20 30 CFEDMN CC1(C)CN(CC#Cc2ccc(F)cc2)CCCO1 ZINC000378234921 329043767 /nfs/dbraw/zinc/04/37/67/329043767.db2.gz YEAKZEDWAZMHPX-UHFFFAOYSA-N 0 1 261.340 2.678 20 30 CFEDMN C=CCN(CC1CCCCC1)C(=O)[C@@H]1C[C@@H]1c1nc[nH]n1 ZINC000378564979 329055254 /nfs/dbraw/zinc/05/52/54/329055254.db2.gz CZFTYDBPSONUJG-UONOGXRCSA-N 0 1 288.395 2.503 20 30 CFEDMN N#CCCCOc1cccc(CN2CCCOCC2)c1 ZINC000360078274 329071348 /nfs/dbraw/zinc/07/13/48/329071348.db2.gz VZLWYMHQJAKCQP-UHFFFAOYSA-N 0 1 274.364 2.591 20 30 CFEDMN N#CC[C@@H]1CC[C@H](N[C@H](c2cn[nH]n2)c2ccc(F)cc2)C1 ZINC000582647900 329124604 /nfs/dbraw/zinc/12/46/04/329124604.db2.gz JKQHFXGBQJKZMA-PJODQICGSA-N 0 1 299.353 2.705 20 30 CFEDMN C#CCCCCC(=O)NCc1nc2ccc(C)cc2[nH]1 ZINC000179955191 329213317 /nfs/dbraw/zinc/21/33/17/329213317.db2.gz KASXAOCRVYUFSC-UHFFFAOYSA-N 0 1 269.348 2.681 20 30 CFEDMN C=C(C)CN(C)[C@H](C)C(=O)N1CCCC[C@H]1CC ZINC000181282203 329229129 /nfs/dbraw/zinc/22/91/29/329229129.db2.gz VUEJOKYAKPOCQZ-ZIAGYGMSSA-N 0 1 252.402 2.674 20 30 CFEDMN C=C(C)CN(C)CC(=O)N(Cc1ccccc1)C(C)C ZINC000181311821 329231013 /nfs/dbraw/zinc/23/10/13/329231013.db2.gz AQJIAJFTIFKYLJ-UHFFFAOYSA-N 0 1 274.408 2.932 20 30 CFEDMN C=CCC(CC=C)C(=O)N1CCCC[C@@H]1c1nnc[nH]1 ZINC000181355551 329231847 /nfs/dbraw/zinc/23/18/47/329231847.db2.gz UNKWHSPUSGPRFQ-CYBMUJFWSA-N 0 1 274.368 2.627 20 30 CFEDMN CN(CC#Cc1ccc(F)cc1)CCc1ccncc1 ZINC000181458791 329233448 /nfs/dbraw/zinc/23/34/48/329233448.db2.gz XHESXRAUCDXVIM-UHFFFAOYSA-N 0 1 268.335 2.747 20 30 CFEDMN CCN(CC)CC(=O)Nc1cccc(OCCCC#N)c1 ZINC000063770905 329399444 /nfs/dbraw/zinc/39/94/44/329399444.db2.gz NZLZACPDJPGZKX-UHFFFAOYSA-N 0 1 289.379 2.649 20 30 CFEDMN CCc1cccc(CC)c1NC(=[NH2+])NCc1ncccc1[O-] ZINC000262484429 330016920 /nfs/dbraw/zinc/01/69/20/330016920.db2.gz SEVDNYJSAXQKQV-UHFFFAOYSA-N 0 1 298.390 2.839 20 30 CFEDMN Cc1cccc(C(=O)C(C#N)c2nc3ccccc3[nH]2)n1 ZINC000079640088 330050823 /nfs/dbraw/zinc/05/08/23/330050823.db2.gz NYIBQARIVPWPPH-NSHDSACASA-N 0 1 276.299 2.756 20 30 CFEDMN C=C(Cl)CN[C@@H](C)c1ccc(N2CCOCC2)cc1 ZINC000271523777 330081175 /nfs/dbraw/zinc/08/11/75/330081175.db2.gz QTMOERWNAMYRRN-ZDUSSCGKSA-N 0 1 280.799 2.926 20 30 CFEDMN C=C(C)[C@@H](N[C@H](C)CC(=O)NC)c1ccc(F)c(F)c1 ZINC000274783197 330107736 /nfs/dbraw/zinc/10/77/36/330107736.db2.gz PSQYQJXOGSNLEJ-MEBBXXQBSA-N 0 1 282.334 2.696 20 30 CFEDMN CC(C)Oc1ccc([C@H](CNCCC#N)N(C)C)cc1 ZINC000580436852 330137040 /nfs/dbraw/zinc/13/70/40/330137040.db2.gz XGUPDBFOQRDVFR-INIZCTEOSA-N 0 1 275.396 2.580 20 30 CFEDMN CN(CC(=O)NC1(C#N)CCC1)[C@H]1CCCc2ccccc21 ZINC000527128541 330224957 /nfs/dbraw/zinc/22/49/57/330224957.db2.gz SANLEOPJGKIOON-INIZCTEOSA-N 0 1 297.402 2.558 20 30 CFEDMN C=CCCOCCNCc1c(F)cc(C)cc1F ZINC000424149577 330295846 /nfs/dbraw/zinc/29/58/46/330295846.db2.gz BXLKFCVRJAGLOT-UHFFFAOYSA-N 0 1 255.308 2.956 20 30 CFEDMN C[C@@H](C#N)CNC(=O)c1c(O)cc(Cl)cc1Cl ZINC000080032461 330325582 /nfs/dbraw/zinc/32/55/82/330325582.db2.gz NNYUFDAWPDIRGT-LURJTMIESA-N 0 1 273.119 2.588 20 30 CFEDMN C=CCC(C)(C)CNS(=O)(=O)c1c(F)cccc1F ZINC000432286691 330596880 /nfs/dbraw/zinc/59/68/80/330596880.db2.gz RHFSLPHMEOMJJD-UHFFFAOYSA-N 0 1 289.347 2.845 20 30 CFEDMN Cc1cccc(C)c1NC(=O)CN[C@@H]1CC[C@H](C#N)C1 ZINC000442634019 330777691 /nfs/dbraw/zinc/77/76/91/330777691.db2.gz LTDIRVAHAIPGJO-UONOGXRCSA-N 0 1 271.364 2.524 20 30 CFEDMN C=C[C@@H]1OCCC[C@H]1NCc1nccn1Cc1ccccc1 ZINC000449546963 330935380 /nfs/dbraw/zinc/93/53/80/330935380.db2.gz GALSMZQCADHNHR-SJORKVTESA-N 0 1 297.402 2.755 20 30 CFEDMN C=C[C@@H]1OCCC[C@H]1NCc1cc(F)c(F)cc1F ZINC000449548886 330935872 /nfs/dbraw/zinc/93/58/72/330935872.db2.gz RNTJYTLUDJANTJ-KGLIPLIRSA-N 0 1 271.282 2.927 20 30 CFEDMN C=CCN1C(=O)N=NC1SC[C@H]1CCCC1(F)F ZINC000450865155 331003584 /nfs/dbraw/zinc/00/35/84/331003584.db2.gz CRUWZSUBMGNPCW-MRVPVSSYSA-N 0 1 275.324 2.697 20 30 CFEDMN CC(C)(C#N)CCCC[N@H+]1CCC[C@H](c2n[n-]c(=O)o2)C1 ZINC000450898055 331005705 /nfs/dbraw/zinc/00/57/05/331005705.db2.gz BFAHHGFBKICTHO-LBPRGKRZSA-N 0 1 292.383 2.675 20 30 CFEDMN C=CCNC(=O)CN[C@@H](c1ccc(F)c(Cl)c1)C1CC1 ZINC000451356207 331025666 /nfs/dbraw/zinc/02/56/66/331025666.db2.gz QXYDNRXFPCUTJP-OAHLLOKOSA-N 0 1 296.773 2.822 20 30 CFEDMN C=CCC1(C(=O)NCc2n[nH]c(C3CC3)n2)CCCCC1 ZINC000452430959 331064754 /nfs/dbraw/zinc/06/47/54/331064754.db2.gz NAWBCJURTRZOEU-UHFFFAOYSA-N 0 1 288.395 2.825 20 30 CFEDMN CCN(CC(=O)Nc1ccc(CC#N)cc1Cl)C1CC1 ZINC000452641595 331070801 /nfs/dbraw/zinc/07/08/01/331070801.db2.gz DHWHUVPNIYYBIG-UHFFFAOYSA-N 0 1 291.782 2.829 20 30 CFEDMN C=CC[C@@H](C)N[C@H](c1cn[nH]n1)c1ccc(F)cc1 ZINC000453149390 331094366 /nfs/dbraw/zinc/09/43/66/331094366.db2.gz SNVZDRFTGWJMGB-YGRLFVJLSA-N 0 1 260.316 2.587 20 30 CFEDMN C=C(C)CCNC(=O)NCCN(C)Cc1ccc(F)cc1 ZINC000454592322 331149439 /nfs/dbraw/zinc/14/94/39/331149439.db2.gz NXTBHFYSSSVCHS-UHFFFAOYSA-N 0 1 293.386 2.523 20 30 CFEDMN C=C(CC)CNC(=O)N(C)Cc1cc(C(C)(C)C)[nH]n1 ZINC000455526333 331172061 /nfs/dbraw/zinc/17/20/61/331172061.db2.gz SUQJKZYGTNEPBM-UHFFFAOYSA-N 0 1 278.400 2.815 20 30 CFEDMN C=CC(C)(C)CNC(=O)c1cccc2nc(C)[nH]c21 ZINC000456112747 331184332 /nfs/dbraw/zinc/18/43/32/331184332.db2.gz DNZOUWYNTZISHO-UHFFFAOYSA-N 0 1 257.337 2.813 20 30 CFEDMN C=CCC1(NC(=O)CSc2nnc(C)[nH]2)CCCCC1 ZINC000456370619 331191448 /nfs/dbraw/zinc/19/14/48/331191448.db2.gz RIZNLBHRPWEKEP-UHFFFAOYSA-N 0 1 294.424 2.600 20 30 CFEDMN C=CCC1(NC(=O)CSc2nc(C)n[nH]2)CCCCC1 ZINC000456370619 331191449 /nfs/dbraw/zinc/19/14/49/331191449.db2.gz RIZNLBHRPWEKEP-UHFFFAOYSA-N 0 1 294.424 2.600 20 30 CFEDMN C=C(CC)CNC(=O)[C@@H](C)N(C)Cc1ccccc1 ZINC000456812007 331204963 /nfs/dbraw/zinc/20/49/63/331204963.db2.gz LOPWCEGTONBTME-CQSZACIVSA-N 0 1 260.381 2.589 20 30 CFEDMN C=CCCC1(C(=O)NCc2ccc3cncn3c2)CC1 ZINC000457980031 331238574 /nfs/dbraw/zinc/23/85/74/331238574.db2.gz UDRCEENTEZKPCN-UHFFFAOYSA-N 0 1 269.348 2.697 20 30 CFEDMN C=C(C)CCNC(=O)NC[C@@H](c1ccco1)N(CC)CC ZINC000458077940 331242337 /nfs/dbraw/zinc/24/23/37/331242337.db2.gz SYDXTJLILNIYKW-AWEZNQCLSA-N 0 1 293.411 2.928 20 30 CFEDMN C=CC(C)(C)CNC(=O)N[C@H](C)c1n[nH]c([C@@H](C)CC)n1 ZINC000458987179 331264230 /nfs/dbraw/zinc/26/42/30/331264230.db2.gz LLRPYEHXJMOWJO-WDEREUQCSA-N 0 1 293.415 2.891 20 30 CFEDMN Cn1cncc1CCN1CCC[C@@H]1[C@H](C#N)c1ccccc1 ZINC000459363624 331278358 /nfs/dbraw/zinc/27/83/58/331278358.db2.gz RQGIQOZDGSXAIL-QZTJIDSGSA-N 0 1 294.402 2.734 20 30 CFEDMN CN(C)CC(C)(C)[NH2+]CC#Cc1ccc(C(F)(F)F)cc1 ZINC000459552599 331287539 /nfs/dbraw/zinc/28/75/39/331287539.db2.gz VXNJQDGYESSTHP-UHFFFAOYSA-N 0 1 298.352 2.987 20 30 CFEDMN CCOC[C@H]1CCCCN1CC#Cc1ccccc1 ZINC000459716940 331295522 /nfs/dbraw/zinc/29/55/22/331295522.db2.gz QLAOIOBCPCIRNO-QGZVFWFLSA-N 0 1 257.377 2.929 20 30 CFEDMN C=CCn1cccc1C(=O)N1CCC(c2cc(C)[nH]n2)CC1 ZINC000488787359 332025676 /nfs/dbraw/zinc/02/56/76/332025676.db2.gz QTLMRWXQVIRLQD-UHFFFAOYSA-N 0 1 298.390 2.725 20 30 CFEDMN C=C[C@@H]1CCCCN1CC(=O)NCCc1ccccc1C ZINC000489395293 332050008 /nfs/dbraw/zinc/05/00/08/332050008.db2.gz CJNXBROQHZUQDM-QGZVFWFLSA-N 0 1 286.419 2.694 20 30 CFEDMN C=C[C@@H]1CCCCN1Cc1cc(-c2cnn(C)c2C)no1 ZINC000489443879 332052784 /nfs/dbraw/zinc/05/27/84/332052784.db2.gz YCXPMSRLUKDDRN-CYBMUJFWSA-N 0 1 286.379 2.924 20 30 CFEDMN C#C[C@H](C)N(C)CCc1nc(-c2ccc(Cl)cc2)no1 ZINC000491253170 332174814 /nfs/dbraw/zinc/17/48/14/332174814.db2.gz MBLWVVZGKLQMDE-NSHDSACASA-N 0 1 289.766 2.886 20 30 CFEDMN C#C[C@@H](CC)NCc1cn2ccc(Br)cc2n1 ZINC000491523804 332229250 /nfs/dbraw/zinc/22/92/50/332229250.db2.gz HKFSWAMFWWJYPD-NSHDSACASA-N 0 1 292.180 2.598 20 30 CFEDMN C#C[C@@H](CC)NCc1nc2ccc(Cl)cc2n1C ZINC000491646987 332263997 /nfs/dbraw/zinc/26/39/97/332263997.db2.gz VNZOYDTWJJEHCL-NSHDSACASA-N 0 1 261.756 2.728 20 30 CFEDMN C#C[C@@H](C)N(C)Cc1nc(C(C)C)n2ccccc12 ZINC000491650623 332264413 /nfs/dbraw/zinc/26/44/13/332264413.db2.gz ASMRZGFHVZQEKP-CYBMUJFWSA-N 0 1 255.365 2.911 20 30 CFEDMN C#CCN(Cc1cc(OC)c(OC)cc1C)C1CC1 ZINC000491651117 332264656 /nfs/dbraw/zinc/26/46/56/332264656.db2.gz DIAZIYMBERNDEV-UHFFFAOYSA-N 0 1 259.349 2.610 20 30 CFEDMN C#CCN(CC)C(=O)c1cccc(C(F)(F)F)c1O ZINC000491706120 332299204 /nfs/dbraw/zinc/29/92/04/332299204.db2.gz DIDMEQXBMWWNHZ-UHFFFAOYSA-N 0 1 271.238 2.506 20 30 CFEDMN C#C[C@H](C)N(C)Cc1ccc(OC(F)F)c(OC)c1 ZINC000491780465 332344800 /nfs/dbraw/zinc/34/48/00/332344800.db2.gz ISLSTXGUJMOFJP-JTQLQIEISA-N 0 1 269.291 2.750 20 30 CFEDMN C=CCCCN1CCN(c2ncccc2Cl)CC1 ZINC000172561470 335109280 /nfs/dbraw/zinc/10/92/80/335109280.db2.gz QTXHQLLCXCBXHT-UHFFFAOYSA-N 0 1 265.788 2.823 20 30 CFEDMN CC(C)(C)OC(=O)NC[C@H](NCC1(C#N)CC1)C(C)(C)C ZINC000495955131 332534653 /nfs/dbraw/zinc/53/46/53/332534653.db2.gz UNBFTJMWQNZZEY-LBPRGKRZSA-N 0 1 295.427 2.819 20 30 CFEDMN CC(C)(C)OC(=O)N1CCCC(C)(C)[C@H]1CNCCC#N ZINC000496051872 332537268 /nfs/dbraw/zinc/53/72/68/332537268.db2.gz WDWDSSPTGJYYCW-CYBMUJFWSA-N 0 1 295.427 2.915 20 30 CFEDMN Cc1csc([C@H](C#N)C(=O)c2cccnc2C)n1 ZINC000178316019 333070860 /nfs/dbraw/zinc/07/08/60/333070860.db2.gz UMWUTZNPXWEDGH-LLVKDONJSA-N 0 1 257.318 2.645 20 30 CFEDMN Cc1csc(C(C#N)C(=O)c2cccnc2C)n1 ZINC000178316019 333070862 /nfs/dbraw/zinc/07/08/62/333070862.db2.gz UMWUTZNPXWEDGH-LLVKDONJSA-N 0 1 257.318 2.645 20 30 CFEDMN Cc1cc(C(C#N)C(=O)c2cnc(C3CC3)s2)nc(C)n1 ZINC000521554151 333178455 /nfs/dbraw/zinc/17/84/55/333178455.db2.gz PNRVKGSTQBKWEL-LLVKDONJSA-N 0 1 298.371 2.917 20 30 CFEDMN CC(C)CCN(CCC#N)C[C@@H](O)CC(F)(F)F ZINC000189499538 333193845 /nfs/dbraw/zinc/19/38/45/333193845.db2.gz NRLVUCLYYGGLCE-NSHDSACASA-N 0 1 266.307 2.561 20 30 CFEDMN CCOCCOCCN(C)CC#Cc1ccc(Cl)cc1 ZINC000190284749 333205263 /nfs/dbraw/zinc/20/52/63/333205263.db2.gz AYMYEXSFRIEGAX-UHFFFAOYSA-N 0 1 295.810 2.676 20 30 CFEDMN C#CCN(C)C(=O)c1cc(Cl)c2ccccc2c1O ZINC000191102022 333215242 /nfs/dbraw/zinc/21/52/42/333215242.db2.gz MSMQKPDURLZMGT-UHFFFAOYSA-N 0 1 273.719 2.904 20 30 CFEDMN CC[C@@H](CC(=O)NC1(C#N)CCN(C)CC1)c1ccccc1 ZINC000524686276 333371380 /nfs/dbraw/zinc/37/13/80/333371380.db2.gz IVPLDTXFMQMXJY-HNNXBMFYSA-N 0 1 299.418 2.674 20 30 CFEDMN CC(C)C[C@@H](C)N(C)C(=O)CN1CCC(CC#N)CC1 ZINC000541024588 333759779 /nfs/dbraw/zinc/75/97/79/333759779.db2.gz NYGSJCXZPQOWPK-CQSZACIVSA-N 0 1 279.428 2.505 20 30 CFEDMN CC1(C#N)CCN(Cc2ccc(-n3cncn3)c(F)c2)CC1 ZINC000541881080 333795911 /nfs/dbraw/zinc/79/59/11/333795911.db2.gz DAJVFOIRXVJRNT-UHFFFAOYSA-N 0 1 299.353 2.532 20 30 CFEDMN CN(CCCc1ccccc1)C[C@H](C#N)CCC#N ZINC000076494299 334082693 /nfs/dbraw/zinc/08/26/93/334082693.db2.gz VOBMQRVLNVHVPY-INIZCTEOSA-N 0 1 255.365 2.995 20 30 CFEDMN C=CCOCCC[N@H+]1CCO[C@@H](c2ccccc2C)C1 ZINC000547768178 334116007 /nfs/dbraw/zinc/11/60/07/334116007.db2.gz CYTVGJMNMLGKDG-QGZVFWFLSA-N 0 1 275.392 2.961 20 30 CFEDMN C=CCOCCCN1CCO[C@@H](c2ccccc2C)C1 ZINC000547768178 334116008 /nfs/dbraw/zinc/11/60/08/334116008.db2.gz CYTVGJMNMLGKDG-QGZVFWFLSA-N 0 1 275.392 2.961 20 30 CFEDMN C[C@](O)(C1CCN([C@H]2CC[C@@H](C#N)C2)CC1)C(F)(F)F ZINC000549939061 334210138 /nfs/dbraw/zinc/21/01/38/334210138.db2.gz UBEMBYAMSNYXHX-WXHSDQCUSA-N 0 1 290.329 2.704 20 30 CFEDMN Cn1cc(CNCc2ccc(CC#N)cc2)c(C(F)F)n1 ZINC000565833090 334601151 /nfs/dbraw/zinc/60/11/51/334601151.db2.gz KSRSINJESIHPPD-UHFFFAOYSA-N 0 1 290.317 2.714 20 30 CFEDMN C[C@@H](NCC(C)(C)CC#N)c1cn2ccccc2n1 ZINC000566983754 334672008 /nfs/dbraw/zinc/67/20/08/334672008.db2.gz PJIBPBOSPJAQDN-GFCCVEGCSA-N 0 1 256.353 2.925 20 30 CFEDMN C[C@H](NCc1ccc(CC#N)cc1)c1ccccn1 ZINC000343771107 335219301 /nfs/dbraw/zinc/21/93/01/335219301.db2.gz ZOCGCMYCKHBSLZ-ZDUSSCGKSA-N 0 1 251.333 2.998 20 30 CFEDMN C=CCCCCN1CCN(CC(F)(F)F)[C@@H](C)C1 ZINC000577054266 335291749 /nfs/dbraw/zinc/29/17/49/335291749.db2.gz QFPQJPJZEJFBBV-LBPRGKRZSA-N 0 1 264.335 2.911 20 30 CFEDMN N#CCCC1CCN(CC[S@@](=O)c2ccccc2)CC1 ZINC000578067392 335477109 /nfs/dbraw/zinc/47/71/09/335477109.db2.gz LKUSWZFTXDVVCG-HXUWFJFHSA-N 0 1 290.432 2.810 20 30 CFEDMN CC(C)(C)OC(=O)C(C)(C)CCNC[C@H](C#N)CCC#N ZINC000578858514 335680915 /nfs/dbraw/zinc/68/09/15/335680915.db2.gz MVUPEFWXBNIVCS-ZDUSSCGKSA-N 0 1 293.411 2.778 20 30 CFEDMN Cc1noc(C2CC2)c1NS(=O)(=O)CCC(C)(C)C#N ZINC000581196546 336023026 /nfs/dbraw/zinc/02/30/26/336023026.db2.gz XMRMIEOKLWSZIN-UHFFFAOYSA-N 0 1 297.380 2.542 20 30 CFEDMN C=CCN1C(=O)N=NC1SCc1c(C)nsc1C ZINC000581348542 336056585 /nfs/dbraw/zinc/05/65/85/336056585.db2.gz MNGPTMNKNADABS-UHFFFAOYSA-N 0 1 282.394 2.535 20 30 CFEDMN C=CCCC[N@H+](C)Cc1ccc(C(=O)[O-])c(F)c1 ZINC000382534474 336092823 /nfs/dbraw/zinc/09/28/23/336092823.db2.gz MFASKWZGSNUZLW-UHFFFAOYSA-N 0 1 251.301 2.922 20 30 CFEDMN COc1cc([N+](=O)[O-])ccc1CN1CCC(CC#N)CC1 ZINC000581644010 336116556 /nfs/dbraw/zinc/11/65/56/336116556.db2.gz HVDPEAQZNKRLPJ-UHFFFAOYSA-N 0 1 289.335 2.729 20 30 CFEDMN C=C(C)CN1CC[C@@H]1CN(C)C(=O)c1cccc(F)c1C ZINC001085607889 782116661 /nfs/dbraw/zinc/11/66/61/782116661.db2.gz CPPVWRPENQQGAI-CQSZACIVSA-N 0 1 290.382 2.857 20 30 CFEDMN C=C(C)CN1CC[C@H]1CN(C)C(=O)c1ccc(C)c(F)c1 ZINC001085708498 782139126 /nfs/dbraw/zinc/13/91/26/782139126.db2.gz JZHZRFMQTIAMIH-HNNXBMFYSA-N 0 1 290.382 2.857 20 30 CFEDMN N#Cc1cc(-c2ccc(O)c(F)c2F)nc(C2CC2)n1 ZINC001243340420 782144568 /nfs/dbraw/zinc/14/45/68/782144568.db2.gz XJMMJPPIEKOMOV-UHFFFAOYSA-N 0 1 273.242 2.876 20 30 CFEDMN C=C(C)CN1CC[C@H]1CN(C)C(=O)[C@H]1CC[C@@H]2C[C@@H]2CC1 ZINC001085738031 782146890 /nfs/dbraw/zinc/14/68/90/782146890.db2.gz DNMAOPFJEDOKLI-YVSFHVDLSA-N 0 1 290.451 2.922 20 30 CFEDMN COC(=O)c1ccc(C#N)cc1-c1ccc(O)c(F)c1F ZINC001243343998 782148953 /nfs/dbraw/zinc/14/89/53/782148953.db2.gz VIPPEYBTJBMTOS-UHFFFAOYSA-N 0 1 289.237 2.996 20 30 CFEDMN C=C(C)CN1CC[C@@H]1CN(C)C(=O)C1CC2(CCC2)C1 ZINC001085767503 782155830 /nfs/dbraw/zinc/15/58/30/782155830.db2.gz KGIHEEPJTMDTQY-OAHLLOKOSA-N 0 1 276.424 2.676 20 30 CFEDMN Cc1c(C#N)cccc1NC(=O)N[C@H]1CCCc2cn[nH]c21 ZINC000334579019 500656320 /nfs/dbraw/zinc/65/63/20/500656320.db2.gz ZZPDTGXHEFKNQS-AWEZNQCLSA-N 0 1 295.346 2.789 20 30 CFEDMN CN(CCC(=O)Nc1ccccc1F)CC(C)(C)C#N ZINC000433303856 500771033 /nfs/dbraw/zinc/77/10/33/500771033.db2.gz JLKBLIGUNXGZFA-UHFFFAOYSA-N 0 1 277.343 2.636 20 30 CFEDMN N#CCSCCCN1CCc2c(cccc2[N+](=O)[O-])C1 ZINC000153320693 501028824 /nfs/dbraw/zinc/02/88/24/501028824.db2.gz LKVNNNIZTKCMJL-UHFFFAOYSA-N 0 1 291.376 2.600 20 30 CFEDMN Cc1cc(Cl)cc(C(=O)C(C#N)c2ccncn2)c1 ZINC000354476168 533770407 /nfs/dbraw/zinc/77/04/07/533770407.db2.gz YTMADJUTOFLOKZ-GFCCVEGCSA-N 0 1 271.707 2.929 20 30 CFEDMN C[C@@H](Oc1ccc(C#N)cc1)c1nc(C2(N)CCCC2)no1 ZINC000414613199 533922822 /nfs/dbraw/zinc/92/28/22/533922822.db2.gz FSVBTXODLAPICW-LLVKDONJSA-N 0 1 298.346 2.809 20 30 CFEDMN CC(C)(C)[C@H]1CCN(Cc2ccc(C#N)c(F)c2)C[C@H]1O ZINC000361866480 518978460 /nfs/dbraw/zinc/97/84/60/518978460.db2.gz BDTMRRMOSHWZED-GOEBONIOSA-N 0 1 290.382 2.926 20 30 CFEDMN CC(C)N(CC(=O)NCC1CCC1)Cc1ccc(C#N)cc1 ZINC000066496979 519635850 /nfs/dbraw/zinc/63/58/50/519635850.db2.gz BFPQVYFMEZCMAL-UHFFFAOYSA-N 0 1 299.418 2.685 20 30 CFEDMN CCOC[C@@H]1CCN(Cc2cccc(C#N)c2F)C1 ZINC000340864052 520130436 /nfs/dbraw/zinc/13/04/36/520130436.db2.gz BXAYKJOOEFRLBE-GFCCVEGCSA-N 0 1 262.328 2.556 20 30 CFEDMN CCN(CC(=O)NCC1CCC1)[C@@H](C)c1ccc(C#N)cc1 ZINC000066494787 520332312 /nfs/dbraw/zinc/33/23/12/520332312.db2.gz KTBXHECDLHHGHN-AWEZNQCLSA-N 0 1 299.418 2.857 20 30 CFEDMN CC1(C)COC[C@H]1NCc1ccc(C#N)cc1Cl ZINC000313016384 520510763 /nfs/dbraw/zinc/51/07/63/520510763.db2.gz BALAAVFBDNRYLR-CYBMUJFWSA-N 0 1 264.756 2.726 20 30 CFEDMN CCN(Cc1cccc(C#N)c1F)C[C@@H]1CCCO1 ZINC000223527808 521339016 /nfs/dbraw/zinc/33/90/16/521339016.db2.gz GAJSNNMUPXVXFY-AWEZNQCLSA-N 0 1 262.328 2.698 20 30 CFEDMN CC[C@@H](C)c1nc([C@H](C)NC(=O)c2ccc(C#N)cc2)n[nH]1 ZINC000276839150 522439133 /nfs/dbraw/zinc/43/91/33/522439133.db2.gz AKRZDJXMZHTFNY-MNOVXSKESA-N 0 1 297.362 2.681 20 30 CFEDMN CO[C@@H]1CCN(Cc2ccc(F)c(C#N)c2)C[C@@H]1C ZINC000335166449 523686688 /nfs/dbraw/zinc/68/66/88/523686688.db2.gz APPXBEODKSJJDV-XHDPSFHLSA-N 0 1 262.328 2.554 20 30 CFEDMN CO[C@@H]1CN(Cc2ccc(C#N)cc2F)CC[C@@H]1C ZINC000221134758 523736996 /nfs/dbraw/zinc/73/69/96/523736996.db2.gz BFGYVRWFWWCIHS-XHDPSFHLSA-N 0 1 262.328 2.554 20 30 CFEDMN COCCN[C@@H](C)c1nc(-c2ccc(C#N)cc2)cs1 ZINC000364942417 523960350 /nfs/dbraw/zinc/96/03/50/523960350.db2.gz GJHKXCOZZHIZJH-NSHDSACASA-N 0 1 287.388 2.979 20 30 CFEDMN CO[C@H]1CCN(Cc2cc(C#N)cs2)CC1(C)C ZINC000336207253 523995685 /nfs/dbraw/zinc/99/56/85/523995685.db2.gz UKTOEVGPTZWISS-ZDUSSCGKSA-N 0 1 264.394 2.867 20 30 CFEDMN CCc1ccc([C@H](CO)NCc2cccc(C#N)c2)cc1 ZINC000305254890 524049448 /nfs/dbraw/zinc/04/94/48/524049448.db2.gz KLOQFHVWCRWJJW-SFHVURJKSA-N 0 1 280.371 2.944 20 30 CFEDMN C[C@@H]1CSC[C@@H]1NCc1ccc(F)cc1C#N ZINC000335149986 525175534 /nfs/dbraw/zinc/17/55/34/525175534.db2.gz CBMDHGXYHHBTMU-RNCFNFMXSA-N 0 1 250.342 2.538 20 30 CFEDMN Cc1n[nH]cc1C(=O)C(C#N)c1ccc(C(F)(F)F)cn1 ZINC000347583185 534849820 /nfs/dbraw/zinc/84/98/20/534849820.db2.gz UMMUQISADYNMLU-VIFPVBQESA-N 0 1 294.236 2.622 20 30 CFEDMN Cc1n[nH]cc1C(=O)[C@@H](C#N)c1ccc(C(F)(F)F)cn1 ZINC000347583185 534849824 /nfs/dbraw/zinc/84/98/24/534849824.db2.gz UMMUQISADYNMLU-VIFPVBQESA-N 0 1 294.236 2.622 20 30 CFEDMN C[C@H](N[C@H](CO)c1ccccc1)c1cccc(C#N)c1 ZINC000063000376 525595105 /nfs/dbraw/zinc/59/51/05/525595105.db2.gz AXJVOXRBGIVAGR-SUMWQHHRSA-N 0 1 266.344 2.942 20 30 CFEDMN C=C(Cl)CNCCN(CC)C(=O)/C=C(\C)CC ZINC001273362382 782163836 /nfs/dbraw/zinc/16/38/36/782163836.db2.gz CZELDBBSIBPOAZ-PKNBQFBNSA-N 0 1 258.793 2.533 20 30 CFEDMN Cc1ccncc1CN(C)CCOc1ccc(C#N)cc1 ZINC000361423685 525735788 /nfs/dbraw/zinc/73/57/88/525735788.db2.gz CXIVWSPSEKMDOL-UHFFFAOYSA-N 0 1 281.359 2.773 20 30 CFEDMN Cc1ccc(C#N)cc1NC(=O)Cc1n[nH]c2ccccc12 ZINC000050629403 525999636 /nfs/dbraw/zinc/99/96/36/525999636.db2.gz IPCLNFHOURWIBF-UHFFFAOYSA-N 0 1 290.326 2.924 20 30 CFEDMN Cc1noc(C)c1NC(=O)c1c(F)cc(C#N)cc1F ZINC000336177066 526545696 /nfs/dbraw/zinc/54/56/96/526545696.db2.gz XPRIBYKZXUPIPZ-UHFFFAOYSA-N 0 1 277.230 2.694 20 30 CFEDMN C=CCNC(=O)CN[C@H]1CCc2c1cc(Cl)cc2Cl ZINC000347338611 526575297 /nfs/dbraw/zinc/57/52/97/526575297.db2.gz MTNQHEOZWLBITK-ZDUSSCGKSA-N 0 1 299.201 2.873 20 30 CFEDMN N#Cc1ccc(NC(=O)N2CCC(c3cnc[nH]3)CC2)cc1 ZINC000336340974 526653608 /nfs/dbraw/zinc/65/36/08/526653608.db2.gz UGLDCQPKTVTMJE-UHFFFAOYSA-N 0 1 295.346 2.693 20 30 CFEDMN C#CCC(C)(C)C(=O)NCc1nc2ccc(C)cc2[nH]1 ZINC000185741256 526666703 /nfs/dbraw/zinc/66/67/03/526666703.db2.gz FKUPCZFHHVEOBX-UHFFFAOYSA-N 0 1 269.348 2.537 20 30 CFEDMN N#Cc1ccc([C@@H](O)CN2Cc3ccccc3C2)cc1 ZINC000050911274 526688562 /nfs/dbraw/zinc/68/85/62/526688562.db2.gz OQGLVZYYRXYMBL-KRWDZBQOSA-N 0 1 264.328 2.607 20 30 CFEDMN C#CCN1CCC(c2nc(-c3ccccc3C)no2)CC1 ZINC000113728891 526936552 /nfs/dbraw/zinc/93/65/52/526936552.db2.gz FXUJBAWCQWPCAP-UHFFFAOYSA-N 0 1 281.359 2.858 20 30 CFEDMN C=CCC1(C(=O)N2CC[C@H](c3nc[nH]n3)C2)CCCCC1 ZINC000333517480 527047120 /nfs/dbraw/zinc/04/71/20/527047120.db2.gz VKXQHGSDDJETPT-ZDUSSCGKSA-N 0 1 288.395 2.647 20 30 CFEDMN C#CCOc1ccc(CNCc2c(C)noc2C)cc1 ZINC000113328203 527104659 /nfs/dbraw/zinc/10/46/59/527104659.db2.gz SPSPTEGGNWJPOC-UHFFFAOYSA-N 0 1 270.332 2.593 20 30 CFEDMN C=CCCCNS(=O)(=O)c1c(Cl)ccc(F)c1F ZINC000344753949 527234442 /nfs/dbraw/zinc/23/44/42/527234442.db2.gz OKGPMTBEFNQJIT-UHFFFAOYSA-N 0 1 295.738 2.863 20 30 CFEDMN C=C[C@@H](CO)N[C@@H](CC)c1cc(Cl)ccc1OC ZINC000353572063 527443079 /nfs/dbraw/zinc/44/30/79/527443079.db2.gz WTEWWIRTJDFRLH-AAEUAGOBSA-N 0 1 269.772 2.936 20 30 CFEDMN C=C[C@@H]1CCCCN1C(=O)c1cccc2n[nH]cc21 ZINC000336465254 527456019 /nfs/dbraw/zinc/45/60/19/527456019.db2.gz TVMHDTFVOXJHOB-LLVKDONJSA-N 0 1 255.321 2.744 20 30 CFEDMN C=CCC[C@H](NCc1cnc(C)[nH]c1=O)c1ccco1 ZINC000353674248 527485898 /nfs/dbraw/zinc/48/58/98/527485898.db2.gz TZSBOQXYSLQVCM-ZDUSSCGKSA-N 0 1 273.336 2.881 20 30 CFEDMN C=C[C@H](CC(=O)N1C[C@H](C)N(C)C[C@@H]1C)c1ccccc1 ZINC000351987492 527575878 /nfs/dbraw/zinc/57/58/78/527575878.db2.gz VZQNFUZVLHJFRE-HRCADAONSA-N 0 1 286.419 2.897 20 30 CFEDMN CC1CCC(N(C)C([O-])=[NH+][C@@H]2CCn3ccnc3C2)CC1 ZINC000330286493 528186375 /nfs/dbraw/zinc/18/63/75/528186375.db2.gz ZWZPNKHQRWSBII-ROKHWSDSSA-N 0 1 290.411 2.622 20 30 CFEDMN CC(C)C[C@@H](N)c1noc(-c2cc(C#N)cc(N(C)C)c2)n1 ZINC000414626358 528348890 /nfs/dbraw/zinc/34/88/90/528348890.db2.gz QCVPRMLSYGOHAF-CQSZACIVSA-N 0 1 299.378 2.720 20 30 CFEDMN CCN(CCC#N)C(=O)CN1CCC(CCC(C)C)CC1 ZINC000347105916 528356287 /nfs/dbraw/zinc/35/62/87/528356287.db2.gz NTYSAHPWDCNZKT-UHFFFAOYSA-N 0 1 293.455 2.897 20 30 CFEDMN CCC(CC)CN(CCC#N)C(=O)CN1CCC(C)CC1 ZINC000354333687 528746797 /nfs/dbraw/zinc/74/67/97/528746797.db2.gz ZTYXRPLERZXZTO-UHFFFAOYSA-N 0 1 293.455 2.897 20 30 CFEDMN CC[C@@H](C)N1CCN(C(=O)[C@H](C)c2cccc(C#N)c2)CC1 ZINC000456520812 535564904 /nfs/dbraw/zinc/56/49/04/535564904.db2.gz KHZBOAJGPZNQQL-HUUCEWRRSA-N 0 1 299.418 2.604 20 30 CFEDMN C=C(C)CN1CC[C@H]1CN(C)C(=O)[C@@H]1CCC(C)(C)C1 ZINC001085803674 782170353 /nfs/dbraw/zinc/17/03/53/782170353.db2.gz UKSWFLAFWPXPMU-CABCVRRESA-N 0 1 278.440 2.922 20 30 CFEDMN C=C(C)CN1CC[C@H]1CN(C)C(=O)c1cccc2[nH]ccc21 ZINC001085834750 782180141 /nfs/dbraw/zinc/18/01/41/782180141.db2.gz SRMVZKGGSOEKDV-AWEZNQCLSA-N 0 1 297.402 2.890 20 30 CFEDMN C=C(C)CN1CC[C@H]1CN(C)C(=O)c1cc(C)ccc1F ZINC001085841084 782180982 /nfs/dbraw/zinc/18/09/82/782180982.db2.gz XSBVQKXACGVIFA-AWEZNQCLSA-N 0 1 290.382 2.857 20 30 CFEDMN CC(C)C[N@@H+](CCCC(=O)[O-])Cc1ccc(C#N)cc1 ZINC000736432367 574050775 /nfs/dbraw/zinc/05/07/75/574050775.db2.gz JYMXURYPXXFOFF-UHFFFAOYSA-N 0 1 274.364 2.881 20 30 CFEDMN CC(=NNC1=N[C@H]2CCCC[C@@H]2N1)c1ccc(Cl)s1 ZINC000753933205 574055298 /nfs/dbraw/zinc/05/52/98/574055298.db2.gz DDHUBWGBTDJHEZ-UWVGGRQHSA-N 0 1 296.827 2.986 20 30 CFEDMN Fc1ccc2[nH]cc(C=NNC3=N[C@H]4CCCC[C@@H]4N3)c2c1 ZINC000753931419 574055371 /nfs/dbraw/zinc/05/53/71/574055371.db2.gz YWLNLUQTTJTQJD-GJZGRUSLSA-N 0 1 299.353 2.501 20 30 CFEDMN Cc1ccc2[nH]cc(C=NNC3=N[C@H]4CCCC[C@@H]4N3)c2c1 ZINC000753929075 574055541 /nfs/dbraw/zinc/05/55/41/574055541.db2.gz NSHLLHTWGIUPEO-HOTGVXAUSA-N 0 1 295.390 2.670 20 30 CFEDMN Cc1ccc2c(c1)CCC2=NNC1=N[C@H]2CCCC[C@@H]2N1 ZINC000753928823 574055570 /nfs/dbraw/zinc/05/55/70/574055570.db2.gz MZNIUGXGACDJPT-HOTGVXAUSA-N 0 1 282.391 2.505 20 30 CFEDMN Cc1ccc2c(c1)CCC2=NNC1=N[C@@H]2CCCC[C@H]2N1 ZINC000753928832 574055639 /nfs/dbraw/zinc/05/56/39/574055639.db2.gz MZNIUGXGACDJPT-HZPDHXFCSA-N 0 1 282.391 2.505 20 30 CFEDMN CC(=NNC1=N[C@H]2CCCC[C@@H]2N1)c1cccc(Cl)c1 ZINC000753936127 574056716 /nfs/dbraw/zinc/05/67/16/574056716.db2.gz QUHPPKNLPJIXTN-KBPBESRZSA-N 0 1 290.798 2.924 20 30 CFEDMN Cc1cc(C)c(C=NNC2=N[C@@H]3CCCC[C@@H]3N2)cc1C ZINC000753941634 574057024 /nfs/dbraw/zinc/05/70/24/574057024.db2.gz ZSSBASHZOJFGLA-IYBDPMFKSA-N 0 1 284.407 2.806 20 30 CFEDMN CC(=NNC1=N[C@@H]2CCCC[C@H]2N1)c1ccc(Cl)cc1 ZINC000753940358 574057132 /nfs/dbraw/zinc/05/71/32/574057132.db2.gz UKSKAFYOBDDJRG-ZIAGYGMSSA-N 0 1 290.798 2.924 20 30 CFEDMN C[C@H]1CC(N=Nc2nc(-c3ccccc3)no2)CN1C1CC1 ZINC000753960455 574059790 /nfs/dbraw/zinc/05/97/90/574059790.db2.gz SQDHKTRWLNOFTN-NSHDSACASA-N 0 1 297.362 2.761 20 30 CFEDMN C#Cc1ccc(C(=O)Nc2cccc(Cl)c2O)nc1 ZINC000736683837 574065511 /nfs/dbraw/zinc/06/55/11/574065511.db2.gz YIHDJGNLBHCSAN-UHFFFAOYSA-N 0 1 272.691 2.674 20 30 CFEDMN C#CC(=O)Nc1ccc(-c2n[nH]c(-c3ccccc3)n2)cc1 ZINC000754086715 574070904 /nfs/dbraw/zinc/07/09/04/574070904.db2.gz GUKVEFBXAWLJHA-UHFFFAOYSA-N 0 1 288.310 2.710 20 30 CFEDMN C#CC(=O)Nc1ccc(-c2nc(-c3ccccc3)n[nH]2)cc1 ZINC000754086715 574070907 /nfs/dbraw/zinc/07/09/07/574070907.db2.gz GUKVEFBXAWLJHA-UHFFFAOYSA-N 0 1 288.310 2.710 20 30 CFEDMN O=[N+]([O-])c1ccc(NN=Cc2cc(F)c(F)c(F)c2)nc1 ZINC000727969766 574075137 /nfs/dbraw/zinc/07/51/37/574075137.db2.gz KVDUVLBYWCWKJQ-UHFFFAOYSA-N 0 1 296.208 2.853 20 30 CFEDMN C#CCOc1ccc(CN2CC(C)(C)OC[C@@H]2C)cc1 ZINC000754155714 574078557 /nfs/dbraw/zinc/07/85/57/574078557.db2.gz KMKWGFVCTALTQM-AWEZNQCLSA-N 0 1 273.376 2.698 20 30 CFEDMN CCOCC(=O)C(C#N)c1nc2cc(F)ccc2s1 ZINC000730421933 574081189 /nfs/dbraw/zinc/08/11/89/574081189.db2.gz RMDPOCJANMMDAZ-VIFPVBQESA-N 0 1 278.308 2.648 20 30 CFEDMN Clc1cscc1C=NNC1=N[C@@H]2CCCC[C@H]2N1 ZINC000753931451 574082214 /nfs/dbraw/zinc/08/22/14/574082214.db2.gz ZEHLOIYCWJNPIX-GHMZBOCLSA-N 0 1 282.800 2.595 20 30 CFEDMN Clc1ccc(C=NNC2=N[C@H]3CCCC[C@@H]3N2)cc1 ZINC000753935669 574082707 /nfs/dbraw/zinc/08/27/07/574082707.db2.gz OZCJXGFXLNKLOI-STQMWFEESA-N 0 1 276.771 2.534 20 30 CFEDMN N#CCOc1ccc(CN=Nc2nc3ccccc3[nH]2)cc1 ZINC000744665237 574083164 /nfs/dbraw/zinc/08/31/64/574083164.db2.gz JMFNIEXPFVYBLM-UHFFFAOYSA-N 0 1 291.314 2.911 20 30 CFEDMN CC[C@@H](C)C[N@@H+](C)[C@@H](C(=O)[O-])c1ccc(C#N)cc1 ZINC000736879208 574084158 /nfs/dbraw/zinc/08/41/58/574084158.db2.gz AYIVRJRGHQLDQR-BXUZGUMPSA-N 0 1 260.337 2.662 20 30 CFEDMN CC(C)N1CC(=NNC(=S)Nc2ccccc2)[C@@H](C)C1 ZINC000754253843 574084459 /nfs/dbraw/zinc/08/44/59/574084459.db2.gz HHSCHPCISSBPOC-LBPRGKRZSA-N 0 1 290.436 2.689 20 30 CFEDMN C#C[C@@H](CC)NC(=O)c1cn[nH]c1-c1ccc(Cl)s1 ZINC000754371908 574091782 /nfs/dbraw/zinc/09/17/82/574091782.db2.gz UGZRPBOXEHNGKP-QMMMGPOBSA-N 0 1 293.779 2.933 20 30 CFEDMN N#Cc1cccc(CN[C@H](CCO)c2cccs2)c1F ZINC000754382464 574092723 /nfs/dbraw/zinc/09/27/23/574092723.db2.gz BJWHNLLPUUINRX-CYBMUJFWSA-N 0 1 290.363 2.972 20 30 CFEDMN C=CC[N@@H+](CCNC(=O)[O-])Cc1ccc(Cl)s1 ZINC000738489245 574092947 /nfs/dbraw/zinc/09/29/47/574092947.db2.gz BMCXKEIFDYIVJX-UHFFFAOYSA-N 0 1 274.773 2.657 20 30 CFEDMN C=CC[N@H+](CCNC(=O)[O-])Cc1ccc(Cl)s1 ZINC000738489245 574092950 /nfs/dbraw/zinc/09/29/50/574092950.db2.gz BMCXKEIFDYIVJX-UHFFFAOYSA-N 0 1 274.773 2.657 20 30 CFEDMN C#CCC(C)(C)C(=O)N[C@@H](C)c1n[nH]c([C@@H](C)CC)n1 ZINC000754419692 574095558 /nfs/dbraw/zinc/09/55/58/574095558.db2.gz IDRDJCKXPXYOGB-QWRGUYRKSA-N 0 1 276.384 2.545 20 30 CFEDMN C#CCOc1cccc(NC(=O)[C@@H]2CCCN2CCC)c1 ZINC000731011121 574106818 /nfs/dbraw/zinc/10/68/18/574106818.db2.gz IQJGEOLHXKPQKK-INIZCTEOSA-N 0 1 286.375 2.512 20 30 CFEDMN CCCCCCCC(=O)OCc1n[nH]c(CC)n1 ZINC000754783866 574120571 /nfs/dbraw/zinc/12/05/71/574120571.db2.gz RBSHCVMXFLKZKR-UHFFFAOYSA-N 0 1 253.346 2.771 20 30 CFEDMN COC(=O)c1ccccc1NN=Cc1cc(C)n(C)c1C ZINC000754962429 574129503 /nfs/dbraw/zinc/12/95/03/574129503.db2.gz VOIWDHCMOQVPAL-UHFFFAOYSA-N 0 1 285.347 2.875 20 30 CFEDMN C#CCN(Cc1cc(OC)c(OC)cc1OC)C(C)C ZINC000746153927 574137800 /nfs/dbraw/zinc/13/78/00/574137800.db2.gz IKLPHVCSNDIOGA-UHFFFAOYSA-N 0 1 277.364 2.556 20 30 CFEDMN C=CC1CCN(C(=O)c2n[nH]c(C)c2Br)CC1 ZINC000732134129 574143538 /nfs/dbraw/zinc/14/35/38/574143538.db2.gz ZPGLEWYJPJZOOR-UHFFFAOYSA-N 0 1 298.184 2.519 20 30 CFEDMN C[N@@H+](Cc1ccc(F)cc1C#N)[C@@H](C(=O)[O-])c1ccccc1 ZINC000737472369 574144006 /nfs/dbraw/zinc/14/40/06/574144006.db2.gz OWOUYTLSDGFHKT-MRXNPFEDSA-N 0 1 298.317 2.955 20 30 CFEDMN c1nc2cnccn2c1CN=Nc1ccc2ccccc2n1 ZINC000746366036 574146789 /nfs/dbraw/zinc/14/67/89/574146789.db2.gz GQRQCELCSPEBCA-UHFFFAOYSA-N 0 1 288.314 2.724 20 30 CFEDMN C(=NN=c1ccc2ccccc2[nH]1)c1cnc2cnccn12 ZINC000746366036 574146791 /nfs/dbraw/zinc/14/67/91/574146791.db2.gz GQRQCELCSPEBCA-UHFFFAOYSA-N 0 1 288.314 2.724 20 30 CFEDMN C#CCN(C/C=C(/C)C(=O)OC)[C@@H]1CCc2ccccc21 ZINC000746503476 574151925 /nfs/dbraw/zinc/15/19/25/574151925.db2.gz RVDHIEDQYPONJG-VWILAXROSA-N 0 1 283.371 2.728 20 30 CFEDMN C#CCNCC(=O)N(Cc1ccc2ccccc2c1)C1CC1 ZINC000746514262 574152914 /nfs/dbraw/zinc/15/29/14/574152914.db2.gz XBSKWPQJARRJBX-UHFFFAOYSA-N 0 1 292.382 2.554 20 30 CFEDMN CN(CCC#N)c1ccc(C=NOCc2cccnc2)cc1 ZINC000746587183 574156302 /nfs/dbraw/zinc/15/63/02/574156302.db2.gz IFNWSRBFAPLRFN-UHFFFAOYSA-N 0 1 294.358 2.982 20 30 CFEDMN CCC(=NNc1cccc([N+](=O)[O-])c1)c1nccn1C ZINC000755481227 574164844 /nfs/dbraw/zinc/16/48/44/574164844.db2.gz KNNMKJMJLYDMDZ-UHFFFAOYSA-N 0 1 273.296 2.555 20 30 CFEDMN C(=NN=c1[nH]c2ccccc2[nH]1)c1ccc2c[nH]nc2c1 ZINC000755491385 574165549 /nfs/dbraw/zinc/16/55/49/574165549.db2.gz YJVQRCVCOZGTEC-UHFFFAOYSA-N 0 1 276.303 2.885 20 30 CFEDMN Cc1nc[nH]c1C=NNc1ccc(Br)cc1 ZINC000755632332 574173831 /nfs/dbraw/zinc/17/38/31/574173831.db2.gz SDQQTGQYPNPBMY-UHFFFAOYSA-N 0 1 279.141 2.927 20 30 CFEDMN CCCCc1nc(C=NNCC(F)F)c(Cl)[nH]1 ZINC000755738466 574182943 /nfs/dbraw/zinc/18/29/43/574182943.db2.gz IVCJAQXQQNXREM-UHFFFAOYSA-N 0 1 264.707 2.594 20 30 CFEDMN Cc1cc(C(=O)C(C#N)c2nc(C(C)C)cs2)n(C)n1 ZINC000747197997 574187109 /nfs/dbraw/zinc/18/71/09/574187109.db2.gz RCTUZDCAZGMOBW-JTQLQIEISA-N 0 1 288.376 2.799 20 30 CFEDMN Cc1ccnc(N=NC2CCN(Cc3ccccn3)CC2)c1 ZINC000755899941 574195427 /nfs/dbraw/zinc/19/54/27/574195427.db2.gz HMSLXYLVJLNFNV-UHFFFAOYSA-N 0 1 295.390 2.849 20 30 CFEDMN Cc1ccnc(NN=Cc2ccc(C(=O)NC3CC3)cc2)c1 ZINC000755904503 574196271 /nfs/dbraw/zinc/19/62/71/574196271.db2.gz CTHUAUGWLFDXQV-UHFFFAOYSA-N 0 1 294.358 2.728 20 30 CFEDMN Cc1ccnc(N=NCc2ccc(-n3cncn3)c(F)c2)c1 ZINC000755907160 574196553 /nfs/dbraw/zinc/19/65/53/574196553.db2.gz VTRPLUKKJQRAON-UHFFFAOYSA-N 0 1 296.309 2.556 20 30 CFEDMN CCCCCNC(=O)C(C#N)C(=O)[C@@H]1CC12CCCC2 ZINC000747477547 574197570 /nfs/dbraw/zinc/19/75/70/574197570.db2.gz BKNPTNQGZMCVGY-OLZOCXBDSA-N 0 1 276.380 2.582 20 30 CFEDMN N#Cc1ccc([C@H](C(=O)[O-])[N@H+]2CCc3ccccc3C2)cc1 ZINC000739107572 574198779 /nfs/dbraw/zinc/19/87/79/574198779.db2.gz XTHNLSUUFXCROM-QGZVFWFLSA-N 0 1 292.338 2.742 20 30 CFEDMN C[C@@H](c1ccc(C#N)cc1)[N@H+]1CC[C@@H](NC(=O)[O-])[C@H](C)C1 ZINC000739171583 574200152 /nfs/dbraw/zinc/20/01/52/574200152.db2.gz CKIBAADWKSFOHG-TYNCELHUSA-N 0 1 287.363 2.597 20 30 CFEDMN CC[C@H](C(=O)OCC1CCC(C#N)CC1)N(CC)CC ZINC000755973446 574201250 /nfs/dbraw/zinc/20/12/50/574201250.db2.gz KGKOPSDIZYKWGT-YMAMQOFZSA-N 0 1 280.412 2.980 20 30 CFEDMN CC(=NN=c1cc[nH]c(N(C)C)n1)c1ccc(C)cc1 ZINC000739417898 574212686 /nfs/dbraw/zinc/21/26/86/574212686.db2.gz FSLXDHYJZJKCLZ-UHFFFAOYSA-N 0 1 269.352 2.687 20 30 CFEDMN C[C@@H]1CCCC[C@H]1OCC(=O)Nc1cc(C#N)ccc1O ZINC000748003453 574224633 /nfs/dbraw/zinc/22/46/33/574224633.db2.gz VXVBTSYQLUFQNV-IAQYHMDHSA-N 0 1 288.347 2.798 20 30 CFEDMN CC/C=C(\C)C(=O)OCC(=O)[C@@H](C#N)c1nc(C)cs1 ZINC000729701953 574229939 /nfs/dbraw/zinc/22/99/39/574229939.db2.gz PIOYTXTWDUXGDT-FZPLPXEFSA-N 0 1 292.360 2.527 20 30 CFEDMN CC/C=C(\C)C(=O)OCC(=O)C(C#N)c1nc(C)cs1 ZINC000729701953 574229942 /nfs/dbraw/zinc/22/99/42/574229942.db2.gz PIOYTXTWDUXGDT-FZPLPXEFSA-N 0 1 292.360 2.527 20 30 CFEDMN C#CCN1CCC[C@H]1COC(=O)CCc1ccccc1C ZINC000729812073 574233325 /nfs/dbraw/zinc/23/33/25/574233325.db2.gz KXJAESBGZPWUHA-KRWDZBQOSA-N 0 1 285.387 2.568 20 30 CFEDMN C#CCN1CCC[C@@H]1COC(=O)[C@@H](C)Cc1ccccc1 ZINC000756545895 574245756 /nfs/dbraw/zinc/24/57/56/574245756.db2.gz XCTKOMIZQUAJCC-DOTOQJQBSA-N 0 1 285.387 2.506 20 30 CFEDMN C#CCN1CCC[C@H]1COC(=O)[C@@H](C)c1ccccc1F ZINC000756550146 574246460 /nfs/dbraw/zinc/24/64/60/574246460.db2.gz CJLPLGWTYPCVDP-KBPBESRZSA-N 0 1 289.350 2.570 20 30 CFEDMN N#Cc1ccc(O)c(NC(=O)CCc2ccc(F)cc2)c1 ZINC000748411213 574251361 /nfs/dbraw/zinc/25/13/61/574251361.db2.gz MHEJMPNDWNZFMO-UHFFFAOYSA-N 0 1 284.290 2.974 20 30 CFEDMN Cc1nc(Cl)cc(NN=Cc2ccc(C#N)s2)n1 ZINC000748789602 574266525 /nfs/dbraw/zinc/26/65/25/574266525.db2.gz WCQNJYWJBMXKIL-UHFFFAOYSA-N 0 1 277.740 2.818 20 30 CFEDMN COCCON=Cc1ccccc1N1CCCCC1 ZINC000748791506 574267124 /nfs/dbraw/zinc/26/71/24/574267124.db2.gz VLNXFLZYKDUHMB-UHFFFAOYSA-N 0 1 262.353 2.674 20 30 CFEDMN CN1Cc2ccccc2[C@H](/N=C\c2ccccc2O)C1 ZINC000756841464 574267590 /nfs/dbraw/zinc/26/75/90/574267590.db2.gz VFNIPXMMBNMZOA-LTKMBJGESA-N 0 1 266.344 2.998 20 30 CFEDMN C#CCN(Cc1ccc(OCC)cn1)C1CCCC1 ZINC000756911600 574272643 /nfs/dbraw/zinc/27/26/43/574272643.db2.gz UIDJKBTWSGYRSE-UHFFFAOYSA-N 0 1 258.365 2.858 20 30 CFEDMN CCC[C@@H](C)CC(=O)[C@@H](C#N)C(=O)NC1CCCCC1 ZINC000749048862 574278019 /nfs/dbraw/zinc/27/80/19/574278019.db2.gz PPGUXWLPDCTJAB-TZMCWYRMSA-N 0 1 278.396 2.970 20 30 CFEDMN C[C@H](OC(=O)c1ccc([N+](=O)[O-])[nH]1)c1ccc(C#N)cc1 ZINC000749062490 574278440 /nfs/dbraw/zinc/27/84/40/574278440.db2.gz DDAUFPQWGOIFKQ-VIFPVBQESA-N 0 1 285.259 2.713 20 30 CFEDMN CC(=NNc1cc(F)c(F)cc1F)c1cnn(C)c1 ZINC000734301550 574280913 /nfs/dbraw/zinc/28/09/13/574280913.db2.gz DGDYPMDHHGHATE-UHFFFAOYSA-N 0 1 268.242 2.674 20 30 CFEDMN Clc1nc2ccccn2c1CN=Nc1ccccn1 ZINC000725726266 574287631 /nfs/dbraw/zinc/28/76/31/574287631.db2.gz FUCOCKLIFROHMV-UHFFFAOYSA-N 0 1 271.711 2.829 20 30 CFEDMN C=CC[C@@H](NC(=O)c1[nH]nc2c1CCCC2)c1ccncc1 ZINC000734457786 574288846 /nfs/dbraw/zinc/28/88/46/574288846.db2.gz OTMSVUMHILXAOV-CQSZACIVSA-N 0 1 296.374 2.731 20 30 CFEDMN Cc1cc(N=NCc2cnc(-c3ccccc3)[nH]2)nc(C)n1 ZINC000741459589 574291193 /nfs/dbraw/zinc/29/11/93/574291193.db2.gz DZHCTGZPXMCXTG-UHFFFAOYSA-N 0 1 292.346 2.930 20 30 CFEDMN CSCC(=NNCCN1CCCCC1)c1ccccc1 ZINC000749446702 574295474 /nfs/dbraw/zinc/29/54/74/574295474.db2.gz IEIFLQSPDCDBFI-UHFFFAOYSA-N 0 1 291.464 2.829 20 30 CFEDMN N#Cc1cc(CN2CCC[C@H]2C[C@@H](O)c2ccco2)ccn1 ZINC000749522521 574298829 /nfs/dbraw/zinc/29/88/29/574298829.db2.gz BAGSBUYGBWSVPS-JKSUJKDBSA-N 0 1 297.358 2.634 20 30 CFEDMN C#CCOc1ccc(CN[C@@H](CO)c2ccc(F)cc2)cc1 ZINC000734851316 574304738 /nfs/dbraw/zinc/30/47/38/574304738.db2.gz ZAZQYZATMNFZQV-SFHVURJKSA-N 0 1 299.345 2.661 20 30 CFEDMN Cc1ncsc1C=NNc1nnc(-c2ccccc2)n1C ZINC000743438585 574305977 /nfs/dbraw/zinc/30/59/77/574305977.db2.gz WGEPFJQGWUZXSD-UHFFFAOYSA-N 0 1 298.375 2.693 20 30 CFEDMN CC[C@H](C)CN(C)c1ccc(F)cc1C=NN[C@H](C)CO ZINC000749817572 574310652 /nfs/dbraw/zinc/31/06/52/574310652.db2.gz KFUFKBFYCVQEGP-QWHCGFSZSA-N 0 1 295.402 2.612 20 30 CFEDMN CCCCCC[C@@H](C)C(=O)NC1(C#N)CCN(C)CC1 ZINC000742066965 574314632 /nfs/dbraw/zinc/31/46/32/574314632.db2.gz BMZVDGZXSBDRRE-CQSZACIVSA-N 0 1 279.428 2.697 20 30 CFEDMN Cc1ccc(N=NCc2cnc3c(C)cccn23)nc1 ZINC000755688929 574318869 /nfs/dbraw/zinc/31/88/69/574318869.db2.gz GNSBJFRDPSRIEM-UHFFFAOYSA-N 0 1 265.320 2.792 20 30 CFEDMN CC(C)CN(CCC#N)CCC(=O)Nc1ccccc1 ZINC000725842152 574324853 /nfs/dbraw/zinc/32/48/53/574324853.db2.gz LBQFKLYSXLXJGV-UHFFFAOYSA-N 0 1 273.380 2.887 20 30 CFEDMN C[C@@H](C#N)Oc1ccc(CN[C@@H](C)c2cnn(C)c2)cc1 ZINC000742372764 574325695 /nfs/dbraw/zinc/32/56/95/574325695.db2.gz VUBITASGDIAWKQ-STQMWFEESA-N 0 1 284.363 2.562 20 30 CFEDMN CCCCOCC(=O)[C@H](C#N)c1nc2cccc(C)c2[nH]1 ZINC000735793762 574335987 /nfs/dbraw/zinc/33/59/87/574335987.db2.gz YGFHORIFDOQVQM-LBPRGKRZSA-N 0 1 285.347 2.864 20 30 CFEDMN Oc1c(Cl)cc(Cl)cc1CN=Nc1cccnn1 ZINC000735976991 574346163 /nfs/dbraw/zinc/34/61/63/574346163.db2.gz OHUTXZVNVBZVCY-UHFFFAOYSA-N 0 1 283.118 2.935 20 30 CFEDMN C=CCCC[N@H+](C)[C@H](C)C(=O)c1[nH]c(C)c(C(=O)[O-])c1C ZINC000736102475 574350329 /nfs/dbraw/zinc/35/03/29/574350329.db2.gz JSDRYOITOVMMRX-GFCCVEGCSA-N 0 1 292.379 2.799 20 30 CFEDMN C[C@H](C(=O)C(C#N)C(=O)NC1CCCC1)C1CCCC1 ZINC000750690971 574351176 /nfs/dbraw/zinc/35/11/76/574351176.db2.gz VWOZXGDTGODVEA-SMDDNHRTSA-N 0 1 276.380 2.580 20 30 CFEDMN C[C@@H](C#N)C[N@H+](C)[C@H](C(=O)[O-])c1cccc(Cl)c1 ZINC000736203906 574354442 /nfs/dbraw/zinc/35/44/42/574354442.db2.gz WKJVYHMMYQMGRR-CABZTGNLSA-N 0 1 266.728 2.557 20 30 CFEDMN C[C@@H](C#N)C[N@@H+](C)[C@H](C(=O)[O-])c1cccc(Cl)c1 ZINC000736203906 574354446 /nfs/dbraw/zinc/35/44/46/574354446.db2.gz WKJVYHMMYQMGRR-CABZTGNLSA-N 0 1 266.728 2.557 20 30 CFEDMN Cc1ccnc(NN=C2c3ccccc3N(C(C)C)C2=O)c1 ZINC000755901197 574364288 /nfs/dbraw/zinc/36/42/88/574364288.db2.gz CMUOANFTRUNHFO-UHFFFAOYSA-N 0 1 294.358 2.961 20 30 CFEDMN COc1ccc(NN=Cc2cc(O)ccc2[N+](=O)[O-])cc1 ZINC000750945508 574364952 /nfs/dbraw/zinc/36/49/52/574364952.db2.gz HHTIAKVPMUJRNQ-UHFFFAOYSA-N 0 1 287.275 2.755 20 30 CFEDMN CO[C@H](CN[C@H](C)c1ccc(C#N)cc1)C(F)(F)F ZINC000743477353 574366212 /nfs/dbraw/zinc/36/62/12/574366212.db2.gz QSCLTJQKIOCVBX-BXKDBHETSA-N 0 1 272.270 2.786 20 30 CFEDMN C#CCN(CC#CC)CCCOc1ccc(F)cc1 ZINC000743852592 574374057 /nfs/dbraw/zinc/37/40/57/574374057.db2.gz WVWVNNLTLRIXBD-UHFFFAOYSA-N 0 1 259.324 2.553 20 30 CFEDMN COCCOc1ccccc1C=NNc1ccc(F)cn1 ZINC000751529004 574378405 /nfs/dbraw/zinc/37/84/05/574378405.db2.gz NUIYLLXOICQNGD-UHFFFAOYSA-N 0 1 289.310 2.692 20 30 CFEDMN C[C@H]1CN(C)CC1N=Nc1ccc(Cl)cc1[N+](=O)[O-] ZINC000752165025 574388703 /nfs/dbraw/zinc/38/87/03/574388703.db2.gz SBSQQIMSZNUOMK-QMMMGPOBSA-N 0 1 282.731 2.598 20 30 CFEDMN C#CCC1(NCc2ncccc2Br)CCC1 ZINC000933292651 618188716 /nfs/dbraw/zinc/18/87/16/618188716.db2.gz CIEVHOVRMWEKDX-UHFFFAOYSA-N 0 1 279.181 2.880 20 30 CFEDMN O=C([O-])C[C@@H]1CCC[N@@H+](CC#Cc2cccc(Cl)c2)C1 ZINC000821516657 597353578 /nfs/dbraw/zinc/35/35/78/597353578.db2.gz UIDHUQYEDZVQOU-AWEZNQCLSA-N 0 1 291.778 2.878 20 30 CFEDMN CCCCCCCCCNC(=O)Cc1cnc[nH]1 ZINC000900111109 620640793 /nfs/dbraw/zinc/64/07/93/620640793.db2.gz MXERHVWLMRQBFN-UHFFFAOYSA-N 0 1 251.374 2.819 20 30 CFEDMN C#CC[N@H+](Cc1cc(C(=O)[O-])co1)C1CCCCC1 ZINC000688870821 599848967 /nfs/dbraw/zinc/84/89/67/599848967.db2.gz QDHYIXATMDQNOG-UHFFFAOYSA-N 0 1 261.321 2.746 20 30 CFEDMN CCC(CC)C[N@H+](C/C=C(/C)C(=O)[O-])CCC#N ZINC000828858911 601176961 /nfs/dbraw/zinc/17/69/61/601176961.db2.gz GIILNYBNRASXLO-GHXNOFRVSA-N 0 1 252.358 2.669 20 30 CFEDMN C[N@H+](Cc1cccs1)[C@@H](C(=O)[O-])c1cccc(C#N)c1 ZINC000830865152 601297658 /nfs/dbraw/zinc/29/76/58/601297658.db2.gz JPGADQNFSYIGKT-CQSZACIVSA-N 0 1 286.356 2.877 20 30 CFEDMN C[N@@H+](Cc1cccs1)[C@@H](C(=O)[O-])c1cccc(C#N)c1 ZINC000830865152 601297660 /nfs/dbraw/zinc/29/76/60/601297660.db2.gz JPGADQNFSYIGKT-CQSZACIVSA-N 0 1 286.356 2.877 20 30 CFEDMN CC[C@@H]1C[N@H+]([C@@H](C(=O)[O-])c2cccc(C#N)c2)CCS1 ZINC000829141551 601321920 /nfs/dbraw/zinc/32/19/20/601321920.db2.gz NDDZRVCAKFFAQJ-ZIAGYGMSSA-N 0 1 290.388 2.511 20 30 CFEDMN C[C@@H](C[N@@H+](CC#Cc1ccc(Cl)cc1)C1CC1)C(=O)[O-] ZINC000827450111 601446928 /nfs/dbraw/zinc/44/69/28/601446928.db2.gz RUFZRLJQSVFKFF-LBPRGKRZSA-N 0 1 291.778 2.877 20 30 CFEDMN C#C[C@H](CCC)NC(=O)c1ccc(CN2CCCCC2)o1 ZINC000935624893 649923698 /nfs/dbraw/zinc/92/36/98/649923698.db2.gz REIFDIWLADUQTK-CQSZACIVSA-N 0 1 288.391 2.797 20 30 CFEDMN C=CC[N@@H+](Cc1ccc(C(=O)[O-])c(F)c1)C(C)C ZINC000383654870 601619713 /nfs/dbraw/zinc/61/97/13/601619713.db2.gz QXFGEPZXUZPWEA-UHFFFAOYSA-N 0 1 251.301 2.920 20 30 CFEDMN C=C(C)CN1CCC[C@@H](NC(=O)[C@H]2CCCC2(C)C)C1 ZINC001008226033 651145104 /nfs/dbraw/zinc/14/51/04/651145104.db2.gz QFWUODSGDNOLTE-HUUCEWRRSA-N 0 1 278.440 2.969 20 30 CFEDMN CC[C@@]1(C)CC[N@H+]([C@@H](C(=O)[O-])c2cccc(C#N)c2)C1 ZINC000829051018 602239726 /nfs/dbraw/zinc/23/97/26/602239726.db2.gz ZCIWUKBFHFDJAR-ZBFHGGJFSA-N 0 1 272.348 2.806 20 30 CFEDMN CC(C)[C@@H](CC[N@@H+](C)Cc1ccccc1C#N)NC(=O)[O-] ZINC000824104321 603823689 /nfs/dbraw/zinc/82/36/89/603823689.db2.gz DXLCNBCAYBUMAF-OAHLLOKOSA-N 0 1 289.379 2.672 20 30 CFEDMN C[C@H](NC(=O)[O-])[C@H]1CCCC[N@H+]1CCCC(C)(C)C#N ZINC000825191717 603993687 /nfs/dbraw/zinc/99/36/87/603993687.db2.gz ALNIJGQIHINEMB-QWHCGFSZSA-N 0 1 281.400 2.827 20 30 CFEDMN C[C@@H]1CCCC[N@H+]1Cc1cccc(C(=O)[O-])c1C#N ZINC000833615583 604602057 /nfs/dbraw/zinc/60/20/57/604602057.db2.gz OTZSFSXFYJTZTM-LLVKDONJSA-N 0 1 258.321 2.631 20 30 CFEDMN C[C@@H]1CC[C@H](C)[N@@H+](Cc2cccc(C(=O)[O-])c2C#N)C1 ZINC000833602029 604609262 /nfs/dbraw/zinc/60/92/62/604609262.db2.gz HFPLGLXETZAPDK-NEPJUHHUSA-N 0 1 272.348 2.877 20 30 CFEDMN CC(C)[N@@H+](CC(=O)[O-])Cc1ccccc1C(C)(C)C#N ZINC000820015367 604669921 /nfs/dbraw/zinc/66/99/21/604669921.db2.gz NUOJTXPWLBPANI-UHFFFAOYSA-N 0 1 274.364 2.783 20 30 CFEDMN CC(C)C[N@@H+](CCC#N)Cc1ccccc1CC(=O)[O-] ZINC000167677823 605067794 /nfs/dbraw/zinc/06/77/94/605067794.db2.gz OYOYZFKEVMNYTD-UHFFFAOYSA-N 0 1 274.364 2.685 20 30 CFEDMN C#CC[N@H+](Cc1ccc(OCC(=O)[O-])cc1)C1CCCC1 ZINC000833364863 605298344 /nfs/dbraw/zinc/29/83/44/605298344.db2.gz SWAXEEKCWKIANP-UHFFFAOYSA-N 0 1 287.359 2.528 20 30 CFEDMN C=C(Cl)C[N@H+](CCC)C1CCN(C(=O)[O-])CC1 ZINC000823480924 605469849 /nfs/dbraw/zinc/46/98/49/605469849.db2.gz SIHAFODCSNBCNQ-UHFFFAOYSA-N 0 1 260.765 2.593 20 30 CFEDMN C=CC[N@H+](CCc1ccco1)Cc1c[nH]c(C(=O)[O-])c1 ZINC000833374707 605490155 /nfs/dbraw/zinc/49/01/55/605490155.db2.gz ZCFPCQOUGPQKFO-UHFFFAOYSA-N 0 1 274.320 2.537 20 30 CFEDMN CC(CC1CC1)N=Nc1oc(C(C)C)nc1-c1nn[nH]n1 ZINC000820232115 606766651 /nfs/dbraw/zinc/76/66/51/606766651.db2.gz DKIYGTBEALAQOT-UHFFFAOYSA-N 0 1 289.343 2.566 20 30 CFEDMN CC(C)(C)c1ccc([C@H](C#N)NC(=O)Cc2cnc[nH]2)cc1 ZINC000900636464 620697708 /nfs/dbraw/zinc/69/77/08/620697708.db2.gz RYKQQTDLPYEUBS-HNNXBMFYSA-N 0 1 296.374 2.631 20 30 CFEDMN C#CCCN1CCCN(C(=O)c2ccccc2C(C)C)CC1 ZINC000981286691 613005718 /nfs/dbraw/zinc/00/57/18/613005718.db2.gz QCYWLYTZUDESOF-UHFFFAOYSA-N 0 1 298.430 2.981 20 30 CFEDMN C#CCCN1CCCN(C(=O)c2ccsc2Cl)CC1 ZINC000982088973 613006511 /nfs/dbraw/zinc/00/65/11/613006511.db2.gz RUHWARXNMGSEJN-UHFFFAOYSA-N 0 1 296.823 2.573 20 30 CFEDMN C#CCCN1CCCN(C(=O)c2csc(C)c2C)CC1 ZINC000981240674 613006668 /nfs/dbraw/zinc/00/66/68/613006668.db2.gz WHWKTHOKKKMZBP-UHFFFAOYSA-N 0 1 290.432 2.536 20 30 CFEDMN C#CCN(C)[C@@H]1CCN(C(=O)C[C@@H]2CCCC(C)(C)C2)C1 ZINC000972733108 613081552 /nfs/dbraw/zinc/08/15/52/613081552.db2.gz PBIBLPGGJYSAQJ-JKSUJKDBSA-N 0 1 290.451 2.759 20 30 CFEDMN C#CCN(C)[C@H]1CCN(C(=O)CC2CCC(C)(C)CC2)C1 ZINC000980564339 613089479 /nfs/dbraw/zinc/08/94/79/613089479.db2.gz KLTGKDSMYDOZTQ-INIZCTEOSA-N 0 1 290.451 2.759 20 30 CFEDMN C#CCN(C)[C@H]1CCN(C(=O)c2ccccc2C2CCC2)C1 ZINC000980287399 613095653 /nfs/dbraw/zinc/09/56/53/613095653.db2.gz YQFMDIRFAPUWJM-INIZCTEOSA-N 0 1 296.414 2.734 20 30 CFEDMN C#CCN1CCCCC[C@@H]1CNC(=O)[C@@H]1C[C@H]1CC(C)C ZINC000969037842 613146008 /nfs/dbraw/zinc/14/60/08/613146008.db2.gz NEBZPUGPQLNKFR-BRWVUGGUSA-N 0 1 290.451 2.663 20 30 CFEDMN C#CCN1CCCCC[C@@H]1CNC(=O)c1ccc(CC)cc1 ZINC000969135650 613146755 /nfs/dbraw/zinc/14/67/55/613146755.db2.gz DFIQASLHHHPRAB-GOSISDBHSA-N 0 1 298.430 2.857 20 30 CFEDMN C#CCN1CCCCC[C@H]1CNC(=O)[C@@H]1C[C@H]1CC(C)C ZINC000969037843 613148273 /nfs/dbraw/zinc/14/82/73/613148273.db2.gz NEBZPUGPQLNKFR-IXDOHACOSA-N 0 1 290.451 2.663 20 30 CFEDMN C#Cc1ccc(C(=O)N(CC)C2CN(CCCC)C2)cc1 ZINC000951117471 613167076 /nfs/dbraw/zinc/16/70/76/613167076.db2.gz TXUWGQBQHVBNJN-UHFFFAOYSA-N 0 1 284.403 2.614 20 30 CFEDMN C#CCN1CC[C@@H](NC(=O)CC2CC(C)(C)C2)C(C)(C)C1 ZINC000940976087 613224930 /nfs/dbraw/zinc/22/49/30/613224930.db2.gz QKSBCTLONGVXSX-OAHLLOKOSA-N 0 1 290.451 2.663 20 30 CFEDMN C#CCN1CC[C@@H](NC(=O)C[C@@H]2C=CCCC2)C(C)(C)C1 ZINC000940837735 613225455 /nfs/dbraw/zinc/22/54/55/613225455.db2.gz ZGSOWUVAOVPGFC-HZPDHXFCSA-N 0 1 288.435 2.583 20 30 CFEDMN C#CCN1CC[C@@H](NC(=O)c2ccc(Cl)s2)C[C@H]1C ZINC000947999329 613235804 /nfs/dbraw/zinc/23/58/04/613235804.db2.gz XSOBTZGYTDZXAE-GHMZBOCLSA-N 0 1 296.823 2.617 20 30 CFEDMN C=C(C)CCN1CC(N(CC)C(=O)C2CC(C)C2)C1 ZINC000949870506 613244917 /nfs/dbraw/zinc/24/49/17/613244917.db2.gz GRIMSQNTHITBIU-UHFFFAOYSA-N 0 1 264.413 2.531 20 30 CFEDMN C=C(C)CCN1CCN(C(=O)C2(c3ccccc3)CC2)CC1 ZINC000957553128 613257348 /nfs/dbraw/zinc/25/73/48/613257348.db2.gz SQOXTMGFCKYKPK-UHFFFAOYSA-N 0 1 298.430 2.829 20 30 CFEDMN C#CCN1CC[C@H](NC(=O)C2CCCCCC2)C(C)(C)C1 ZINC000940620087 613257890 /nfs/dbraw/zinc/25/78/90/613257890.db2.gz DULSBCBLNHFESC-INIZCTEOSA-N 0 1 290.451 2.807 20 30 CFEDMN C=C(C)CCN1CCN(C(=O)[C@@H](C)c2ccsc2)CC1 ZINC000950446584 613258277 /nfs/dbraw/zinc/25/82/77/613258277.db2.gz ABAKPVIHMJJKOO-AWEZNQCLSA-N 0 1 292.448 2.962 20 30 CFEDMN C#CCN1CC[C@H](NC(=O)C=C2CCCCC2)C(C)(C)C1 ZINC000940614797 613258617 /nfs/dbraw/zinc/25/86/17/613258617.db2.gz BZLUTPCYTDBKJR-INIZCTEOSA-N 0 1 288.435 2.727 20 30 CFEDMN C=C(C)CCN1CCN(C(=O)[C@@H]2C[C@@]2(C)CC)CC1 ZINC000956973541 613259630 /nfs/dbraw/zinc/25/96/30/613259630.db2.gz FLJIMTKUHRXQER-GOEBONIOSA-N 0 1 264.413 2.533 20 30 CFEDMN C=C(C)CCN1CCN(C(=O)[C@@H]2C[C@]2(C)CC)CC1 ZINC000956973542 613259879 /nfs/dbraw/zinc/25/98/79/613259879.db2.gz FLJIMTKUHRXQER-HOCLYGCPSA-N 0 1 264.413 2.533 20 30 CFEDMN C=C(C)CCN1CCN(C(=O)c2cc[nH]c2C2CC2)CC1 ZINC000949897927 613261878 /nfs/dbraw/zinc/26/18/78/613261878.db2.gz MLFQSIGRAAPOAW-UHFFFAOYSA-N 0 1 287.407 2.616 20 30 CFEDMN C#CCN1CC[C@H](NC(=O)[C@@H]2C[C@H]2C(C)(C)C)C(C)(C)C1 ZINC000940886468 613262850 /nfs/dbraw/zinc/26/28/50/613262850.db2.gz PEPLPOYBRFZZCE-KFWWJZLASA-N 0 1 290.451 2.519 20 30 CFEDMN C#CCN1CC[C@H](NC(=O)c2ccc(C)s2)C(C)(C)C1 ZINC000940539462 613268689 /nfs/dbraw/zinc/26/86/89/613268689.db2.gz USWQMDLZLUGCGC-AWEZNQCLSA-N 0 1 290.432 2.520 20 30 CFEDMN C#CCN1C[C@H](NC(=O)[C@H]2CCC=CCCC2)C(C)(C)C1 ZINC000974737832 613298958 /nfs/dbraw/zinc/29/89/58/613298958.db2.gz ICPUIBBCOFBXAC-HOTGVXAUSA-N 0 1 288.435 2.583 20 30 CFEDMN C=C(C)CN1CC([C@H](C)NC(=O)c2cc(C)c(C)o2)C1 ZINC000969503424 613302636 /nfs/dbraw/zinc/30/26/36/613302636.db2.gz QWKXTKVYDRFCJV-LBPRGKRZSA-N 0 1 276.380 2.523 20 30 CFEDMN C=C(C)CN1CCCN(C(=O)C2=CCCCCC2)CC1 ZINC000981031150 613307626 /nfs/dbraw/zinc/30/76/26/613307626.db2.gz FQXKXPUDUAGQFA-UHFFFAOYSA-N 0 1 276.424 2.987 20 30 CFEDMN C=C(C)CN1CCCN(C(=O)C2CCC(F)CC2)CC1 ZINC000981887358 613307948 /nfs/dbraw/zinc/30/79/48/613307948.db2.gz BMWYDSCDPCSCGB-UHFFFAOYSA-N 0 1 282.403 2.625 20 30 CFEDMN C=C(C)CN1CCCN(C(=O)[C@@H]2CCC[C@@H](F)C2)CC1 ZINC000981143002 613309453 /nfs/dbraw/zinc/30/94/53/613309453.db2.gz XRADLMHRNVXNAS-HUUCEWRRSA-N 0 1 282.403 2.625 20 30 CFEDMN C=C(C)CN1CCCN(C(=O)[C@H]2[C@@H]3CCCC[C@@H]32)CC1 ZINC000980902152 613310036 /nfs/dbraw/zinc/31/00/36/613310036.db2.gz GAPXCGWBBZZTEG-ZSHCYNCHSA-N 0 1 276.424 2.533 20 30 CFEDMN C=C(C)CN1CC[C@@H](C)[C@@H](NC(=O)c2occc2Cl)C1 ZINC000968234682 613324949 /nfs/dbraw/zinc/32/49/49/613324949.db2.gz PSORYWJKTSHCTM-YPMHNXCESA-N 0 1 296.798 2.949 20 30 CFEDMN C=C(C)CN1CC[C@@H](C)[C@H](NC(=O)c2ccoc2Cl)C1 ZINC000965931615 613326121 /nfs/dbraw/zinc/32/61/21/613326121.db2.gz MZIMDOGLIXVKCJ-DGCLKSJQSA-N 0 1 296.798 2.949 20 30 CFEDMN C=C(C)CN1C[C@H](NC(=O)c2cccs2)C(C)(C)C1 ZINC000972770947 613342287 /nfs/dbraw/zinc/34/22/87/613342287.db2.gz BNIPPXACKVVKGM-ZDUSSCGKSA-N 0 1 278.421 2.764 20 30 CFEDMN C=C(Cl)CN1CC[C@@H]([C@H]2CCCN(C(=O)C(C)C)C2)C1 ZINC000961135155 613377658 /nfs/dbraw/zinc/37/76/58/613377658.db2.gz IXOSDPADACMOMU-LSDHHAIUSA-N 0 1 298.858 2.955 20 30 CFEDMN C=C(Cl)CN[C@@H]1CCN(C(=O)c2ccc(CC)cc2)C1 ZINC000970622673 613385725 /nfs/dbraw/zinc/38/57/25/613385725.db2.gz OUMMIJHKVRVCKR-OAHLLOKOSA-N 0 1 292.810 2.806 20 30 CFEDMN C=C(Cl)CN[C@@H]1CN(C(=O)C2(C(C)C)CC2)C[C@@H]1C ZINC000939091068 613386186 /nfs/dbraw/zinc/38/61/86/613386186.db2.gz FBPFAQLJVOXZON-WCQYABFASA-N 0 1 284.831 2.612 20 30 CFEDMN C=C(Cl)CN[C@@H]1CN(C(=O)C2(C)CC=CC2)C[C@@H]1C ZINC000939067443 613386354 /nfs/dbraw/zinc/38/63/54/613386354.db2.gz FZXGHBKVWWPQRX-WCQYABFASA-N 0 1 282.815 2.532 20 30 CFEDMN C=C(Cl)CN[C@H]1CN(C(=O)C2CCC=CCC2)C[C@H]1C ZINC000939775938 613386817 /nfs/dbraw/zinc/38/68/17/613386817.db2.gz JQKFASSGKLPECR-DOMZBBRYSA-N 0 1 296.842 2.922 20 30 CFEDMN C=C1CCC(C(=O)N2CCN(C[C@@H](C)CC)CC2)CC1 ZINC000950023734 613404702 /nfs/dbraw/zinc/40/47/02/613404702.db2.gz YDQWSAOHKYVFAV-AWEZNQCLSA-N 0 1 278.440 2.923 20 30 CFEDMN C=C1CCC(C(=O)N[C@H]2CCN(CCF)[C@H](C)C2)CC1 ZINC000947689553 613412745 /nfs/dbraw/zinc/41/27/45/613412745.db2.gz LCIJLYGIMVUPPG-HIFRSBDPSA-N 0 1 282.403 2.671 20 30 CFEDMN C=C[C@@](C)(CC)C(=O)N1CCCN(CC(=C)C)CC1 ZINC000981887966 613473287 /nfs/dbraw/zinc/47/32/87/613473287.db2.gz VSJNCAPGHMBQEO-INIZCTEOSA-N 0 1 264.413 2.699 20 30 CFEDMN C=CCCN1CCN(C(=O)C2CCC3(CC3)CC2)CC1 ZINC000949321388 613501995 /nfs/dbraw/zinc/50/19/95/613501995.db2.gz HHMJFNSLXHRACI-UHFFFAOYSA-N 0 1 276.424 2.677 20 30 CFEDMN C=C[C@](C)(CC)C(=O)N1CCN(C[C@H](C)CC)CC1 ZINC000950051836 613502967 /nfs/dbraw/zinc/50/29/67/613502967.db2.gz WSYOQQYYYZXDBC-GDBMZVCRSA-N 0 1 266.429 2.779 20 30 CFEDMN C=CCCN1CCN(C(=O)Cc2cc(C)cc(C)c2)CC1 ZINC000949999552 613504786 /nfs/dbraw/zinc/50/47/86/613504786.db2.gz TURUVEDHDGRLPD-UHFFFAOYSA-N 0 1 286.419 2.566 20 30 CFEDMN C=CCCN1CCN(C(=O)[C@@H]2CCCC[C@H]2C)CC1 ZINC000949930531 613506123 /nfs/dbraw/zinc/50/61/23/613506123.db2.gz PGMSEWLANFBJRG-HUUCEWRRSA-N 0 1 264.413 2.533 20 30 CFEDMN C=CCCN1CCN(C(=O)[C@@H]2CCCC[C@H]2C2CC2)CC1 ZINC000949464634 613506270 /nfs/dbraw/zinc/50/62/70/613506270.db2.gz AOEUSUNXPLLZNP-DLBZAZTESA-N 0 1 290.451 2.923 20 30 CFEDMN C=CCCN1CCN(C(=O)c2c(C)cc(C)cc2C)CC1 ZINC000957566863 613508808 /nfs/dbraw/zinc/50/88/08/613508808.db2.gz PNFQAIIICORGTH-UHFFFAOYSA-N 0 1 286.419 2.946 20 30 CFEDMN C=CCCN1CCN(C(=O)c2ccc3cccnc3c2)CC1 ZINC000952313719 613510686 /nfs/dbraw/zinc/51/06/86/613510686.db2.gz LNYJKCMYQZZWNQ-UHFFFAOYSA-N 0 1 295.386 2.569 20 30 CFEDMN CC#CCN1CCCCC[C@H]1CNC(=O)[C@]12C[C@H]1CCC2 ZINC000968959607 613546145 /nfs/dbraw/zinc/54/61/45/613546145.db2.gz DXVTYFRLBXBYAN-SOLBZPMBSA-N 0 1 288.435 2.561 20 30 CFEDMN CC#CCN1CC[C@@H](C)[C@@H](NC(=O)C2=CCCCCC2)C1 ZINC000965945859 613571627 /nfs/dbraw/zinc/57/16/27/613571627.db2.gz CIWVMLSJMYPWBH-WBVHZDCISA-N 0 1 288.435 2.727 20 30 CFEDMN CC#CCN1CC[C@H](C)[C@@H](NC(=O)C(C)(C)C2CCC2)C1 ZINC000967492529 613590607 /nfs/dbraw/zinc/59/06/07/613590607.db2.gz CMCUCAFAAZIIQY-HOCLYGCPSA-N 0 1 290.451 2.663 20 30 CFEDMN CC#CCN1CC[C@H](NC(=O)c2occc2Cl)C[C@H]1C ZINC000947686404 613607773 /nfs/dbraw/zinc/60/77/73/613607773.db2.gz XVYVPQQMYXHIFN-NEPJUHHUSA-N 0 1 294.782 2.539 20 30 CFEDMN C=CCN1CC([C@@H](C)NC(=O)[C@H]2CCC(C)=C(C)C2)C1 ZINC000969740149 613662437 /nfs/dbraw/zinc/66/24/37/613662437.db2.gz MJXHDOBLQUTOKL-CABCVRRESA-N 0 1 276.424 2.745 20 30 CFEDMN C=CCN1CC([C@@H](C)NC(=O)[C@@H]2C[C@H]2c2ccccc2C)C1 ZINC000970570718 613662898 /nfs/dbraw/zinc/66/28/98/613662898.db2.gz XBEOQIRGDVXENX-FHLIZLRMSA-N 0 1 298.430 2.721 20 30 CFEDMN C=CCN1CC([C@@H](C)NC(=O)c2ncsc2C(C)C)C1 ZINC000970729564 613667590 /nfs/dbraw/zinc/66/75/90/613667590.db2.gz RDEMBRLIANCHNB-LLVKDONJSA-N 0 1 293.436 2.503 20 30 CFEDMN C=CCN1CC([C@H](C)NC(=O)[C@@H]2CCCCC2(C)C)C1 ZINC000970939874 613668661 /nfs/dbraw/zinc/66/86/61/613668661.db2.gz ZCRCISWFXGYIDM-ZFWWWQNUSA-N 0 1 278.440 2.825 20 30 CFEDMN C=CCN1CC([C@H](C)NC(=O)c2cccc(C(F)F)c2)C1 ZINC000970775825 613672121 /nfs/dbraw/zinc/67/21/21/613672121.db2.gz VZEUPWAEJGPKKT-NSHDSACASA-N 0 1 294.345 2.860 20 30 CFEDMN C=CCN1CCCCC[C@@H]1CNC(=O)c1scnc1C ZINC000968759278 613685650 /nfs/dbraw/zinc/68/56/50/613685650.db2.gz YTZNYKXYSSYOAA-CYBMUJFWSA-N 0 1 293.436 2.612 20 30 CFEDMN C=CCN1CCCN(C(=O)C2(C)CCCCC2)CC1 ZINC000981872722 613688345 /nfs/dbraw/zinc/68/83/45/613688345.db2.gz SKAMCEONWISMRY-UHFFFAOYSA-N 0 1 264.413 2.677 20 30 CFEDMN C=CCN1CCCN(C(=O)C2=CCCCCC2)CC1 ZINC000981044082 613688415 /nfs/dbraw/zinc/68/84/15/613688415.db2.gz QLTITFQXCJYGBS-UHFFFAOYSA-N 0 1 262.397 2.597 20 30 CFEDMN C=CCN1CCCN(C(=O)C[C@H]2CCC[C@@H]2C)CC1 ZINC000981225566 613689813 /nfs/dbraw/zinc/68/98/13/613689813.db2.gz PFXJDKRRXWJYIC-LSDHHAIUSA-N 0 1 264.413 2.533 20 30 CFEDMN C=CCN1CCCN(C(=O)[C@@H]2CCCC3(CC3)C2)CC1 ZINC000981156631 613691504 /nfs/dbraw/zinc/69/15/04/613691504.db2.gz HMZGSJSXJMPOMP-OAHLLOKOSA-N 0 1 276.424 2.677 20 30 CFEDMN C=CCN1CCCN(C(=O)[C@@H]2CCC[C@@H](C)C2)CC1 ZINC000981844593 613691796 /nfs/dbraw/zinc/69/17/96/613691796.db2.gz FDKBKKNTKVUGLE-HUUCEWRRSA-N 0 1 264.413 2.533 20 30 CFEDMN C=CCN1CCCN(C(=O)c2ccc3ncccc3c2)CC1 ZINC000981858794 613697009 /nfs/dbraw/zinc/69/70/09/613697009.db2.gz RNQJESIWNFTFAS-UHFFFAOYSA-N 0 1 295.386 2.569 20 30 CFEDMN C=CCN1CCCN(C(=O)c2ccc(Cl)c(C)c2)CC1 ZINC000981867652 613697557 /nfs/dbraw/zinc/69/75/57/613697557.db2.gz CMRGJFBGSKDOEW-UHFFFAOYSA-N 0 1 292.810 2.982 20 30 CFEDMN C=CCN1CCCN(C(=O)c2ccc(CCC)cc2)CC1 ZINC000981846527 613697579 /nfs/dbraw/zinc/69/75/79/613697579.db2.gz NTUWJHIAUNKOBK-UHFFFAOYSA-N 0 1 286.419 2.973 20 30 CFEDMN C=CCN1CC[C@@H](C)[C@@H](NC(=O)C2(F)CCCCC2)C1 ZINC000968506583 613727452 /nfs/dbraw/zinc/72/74/52/613727452.db2.gz UWGTZXIWZUQTDI-KGLIPLIRSA-N 0 1 282.403 2.671 20 30 CFEDMN C=CCN1CC[C@@H](C)[C@@H](NC(=O)c2ccc(CC)cc2)C1 ZINC000968607084 613729931 /nfs/dbraw/zinc/72/99/31/613729931.db2.gz ORCJZOBAYXHHQO-PBHICJAKSA-N 0 1 286.419 2.875 20 30 CFEDMN C=CCN1CC[C@@H](C)[C@@H](NC(=O)c2oc(C)cc2C)C1 ZINC000965846276 613732203 /nfs/dbraw/zinc/73/22/03/613732203.db2.gz YCMQLINIEFJPCJ-RISCZKNCSA-N 0 1 276.380 2.523 20 30 CFEDMN C=CCN1CC[C@@H](C)[C@H](NC(=O)C2CCC3(CC3)CC2)C1 ZINC000967402015 613732905 /nfs/dbraw/zinc/73/29/05/613732905.db2.gz KZLISXAZMSVPOC-GDBMZVCRSA-N 0 1 290.451 2.969 20 30 CFEDMN C=CCN1CC[C@@H](C)[C@H](NC(=O)c2c(F)cccc2F)C1 ZINC000968584313 613733469 /nfs/dbraw/zinc/73/34/69/613733469.db2.gz WIYOAAFGKXOXLP-BXUZGUMPSA-N 0 1 294.345 2.591 20 30 CFEDMN C=CCN1CC[C@@H](C)[C@H](NC(=O)c2cc(C)ccc2F)C1 ZINC000968358184 613733529 /nfs/dbraw/zinc/73/35/29/613733529.db2.gz YYJPVMIPTKPROQ-CZUORRHYSA-N 0 1 290.382 2.760 20 30 CFEDMN C=CCN1CC[C@@H](C)[C@H](NC(=O)c2ccc3c(c2)CCC3)C1 ZINC000968634927 613734166 /nfs/dbraw/zinc/73/41/66/613734166.db2.gz BYQXKCCWEBUUHP-RDTXWAMCSA-N 0 1 298.430 2.802 20 30 CFEDMN C=CCN1CC[C@@H](C)[C@H](NC(=O)c2cccc(C)c2)C1 ZINC000964841279 613735331 /nfs/dbraw/zinc/73/53/31/613735331.db2.gz YLGRDNALDOTREA-GDBMZVCRSA-N 0 1 272.392 2.621 20 30 CFEDMN C=CCN1CC[C@@H](C)[C@H](NC(=O)c2csc(C)c2)C1 ZINC000968418419 613736223 /nfs/dbraw/zinc/73/62/23/613736223.db2.gz KMPAFFOFSDDHAJ-BXUZGUMPSA-N 0 1 278.421 2.683 20 30 CFEDMN C=CCN1CC[C@H](C)[C@@H](NC(=O)c2cc(C)sc2C)C1 ZINC000967273782 613768749 /nfs/dbraw/zinc/76/87/49/613768749.db2.gz NPLGLXQDEFEAQS-NHYWBVRUSA-N 0 1 292.448 2.991 20 30 CFEDMN C=CCN1CC[C@H](C)[C@@H](NC(=O)c2cccc(Cl)c2)C1 ZINC000968580695 613769590 /nfs/dbraw/zinc/76/95/90/613769590.db2.gz YTLQSJIRDIWSOE-WFASDCNBSA-N 0 1 292.810 2.966 20 30 CFEDMN C=CCN1CC[C@H](C)[C@H](NC(=O)c2ccoc2Cl)C1 ZINC000965929604 613775052 /nfs/dbraw/zinc/77/50/52/613775052.db2.gz BDUMBNNWMVFTKV-CMPLNLGQSA-N 0 1 282.771 2.559 20 30 CFEDMN C=CCN1C[C@@H](NC(=O)C(C)=C2CCCC2)C(C)(C)C1 ZINC000973019063 613805971 /nfs/dbraw/zinc/80/59/71/613805971.db2.gz ONYICKPDTPVGQM-OAHLLOKOSA-N 0 1 276.424 2.890 20 30 CFEDMN C=CCN1C[C@@H](NC(=O)[C@@H](C)c2ccc(C)o2)C(C)(C)C1 ZINC000977274518 613807619 /nfs/dbraw/zinc/80/76/19/613807619.db2.gz SSUROYCAPVQITM-DZGCQCFKSA-N 0 1 290.407 2.704 20 30 CFEDMN C=CCN1C[C@@H](NC(=O)[C@@H]2CCCC3(CC3)C2)C(C)(C)C1 ZINC000974593979 613807715 /nfs/dbraw/zinc/80/77/15/613807715.db2.gz PZDJOVPYMSJUGF-HUUCEWRRSA-N 0 1 290.451 2.969 20 30 CFEDMN C=CCN1C[C@@H](NC(=O)[C@@H]2CC3CCC2CC3)C(C)(C)C1 ZINC000977622930 613807737 /nfs/dbraw/zinc/80/77/37/613807737.db2.gz ULFDJYKZXPGBRS-QDIHITRGSA-N 0 1 290.451 2.825 20 30 CFEDMN C=CCN1C[C@@H](NC(=O)[C@H](C)c2ccccc2)C(C)(C)C1 ZINC000977522032 613808795 /nfs/dbraw/zinc/80/87/95/613808795.db2.gz GMAVHOZJZKCMOA-GDBMZVCRSA-N 0 1 286.419 2.803 20 30 CFEDMN C=CCN1C[C@@H](NC(=O)[C@]2(C)CC=CCC2)C(C)(C)C1 ZINC000974610809 613809130 /nfs/dbraw/zinc/80/91/30/613809130.db2.gz DRQOHVXULZBMKG-RHSMWYFYSA-N 0 1 276.424 2.745 20 30 CFEDMN C=CCN1C[C@@H](NC(=O)c2cccnc2C2CC2)C(C)(C)C1 ZINC000974775785 613810993 /nfs/dbraw/zinc/81/09/93/613810993.db2.gz OZAXQWUBETZBAV-OAHLLOKOSA-N 0 1 299.418 2.585 20 30 CFEDMN C=CCN1C[C@H](NC(=O)[C@]23C[C@H]2CCCC3)C(C)(C)C1 ZINC000975010809 613827703 /nfs/dbraw/zinc/82/77/03/613827703.db2.gz IOPUIYNTGQFQHL-JKIFEVAISA-N 0 1 276.424 2.579 20 30 CFEDMN C=CCN1C[C@H](NC(=O)c2ccccc2Cl)C(C)(C)C1 ZINC000977525854 613829087 /nfs/dbraw/zinc/82/90/87/613829087.db2.gz QKNGWUBSKWRAHC-AWEZNQCLSA-N 0 1 292.810 2.966 20 30 CFEDMN C=CCN1C[C@H](NC(=O)c2oc(CC)cc2C)C(C)(C)C1 ZINC000977455716 613829968 /nfs/dbraw/zinc/82/99/68/613829968.db2.gz TZYDWHWIENCTEY-AWEZNQCLSA-N 0 1 290.407 2.777 20 30 CFEDMN CC(C)C(=O)N[C@H]1CCN(Cc2ccccc2C#N)[C@H](C)C1 ZINC000947069785 613955474 /nfs/dbraw/zinc/95/54/74/613955474.db2.gz CIXFUPCAEHFRMY-PBHICJAKSA-N 0 1 299.418 2.683 20 30 CFEDMN CC(C)C(=O)N[C@H]1CN(Cc2ccc(C#N)cc2)CC[C@H]1C ZINC000965247560 613959031 /nfs/dbraw/zinc/95/90/31/613959031.db2.gz PFPZADPOKSRDGD-PBHICJAKSA-N 0 1 299.418 2.541 20 30 CFEDMN C[C@](C#N)(NC(=O)c1cncc2nc[nH]c21)C1CCCCC1 ZINC000900722829 620705884 /nfs/dbraw/zinc/70/58/84/620705884.db2.gz KOCFBHCBCKJKBU-MRXNPFEDSA-N 0 1 297.362 2.550 20 30 CFEDMN COCC#CCN[C@@H](c1ncccc1C)C(C)(C)C ZINC000934293005 617989575 /nfs/dbraw/zinc/98/95/75/617989575.db2.gz SYJSJOLZYVVNBR-HNNXBMFYSA-N 0 1 260.381 2.717 20 30 CFEDMN C#CC[N@H+]1CC[C@H]2[C@@H](CCCN2C(=O)c2ccccc2C)C1 ZINC001021508163 618034798 /nfs/dbraw/zinc/03/47/98/618034798.db2.gz GNSUJSLNBKOIGD-WMZOPIPTSA-N 0 1 296.414 2.555 20 30 CFEDMN C=CC[C@H]1CCN1[C@H]1CCCN(c2ccc(C#N)cc2)C1=O ZINC000934462917 618042008 /nfs/dbraw/zinc/04/20/08/618042008.db2.gz VISJHBMXMPGHIM-RDJZCZTQSA-N 0 1 295.386 2.704 20 30 CFEDMN COc1ccccc1CNCC#Cc1ccccc1 ZINC000051813985 618079190 /nfs/dbraw/zinc/07/91/90/618079190.db2.gz BPBSUWDODKGSJL-UHFFFAOYSA-N 0 1 251.329 2.837 20 30 CFEDMN C=CC[C@@H]1CCN1C(=O)c1ccc(CN(CC)CC)o1 ZINC000890560736 617653328 /nfs/dbraw/zinc/65/33/28/617653328.db2.gz MAWFKWOXNDXFLU-CYBMUJFWSA-N 0 1 276.380 2.912 20 30 CFEDMN O=C1C=COC2(CCN(Cc3ccsc3)CC2)C1 ZINC000933644836 617738466 /nfs/dbraw/zinc/73/84/66/617738466.db2.gz WSBRXTKIPUCISE-UHFFFAOYSA-N 0 1 263.362 2.586 20 30 CFEDMN Cc1cccc(C)c1CN(C)[C@@H](C)C(=O)NC1(C#N)CCC1 ZINC000933764734 617772161 /nfs/dbraw/zinc/77/21/61/617772161.db2.gz XRVKKOHOCVYSNS-HNNXBMFYSA-N 0 1 299.418 2.686 20 30 CFEDMN CN(Cc1cc(C#N)cs1)C[C@@H](O)c1cccc(F)c1 ZINC000933775955 617776401 /nfs/dbraw/zinc/77/64/01/617776401.db2.gz PZJMPIAVUUFLAM-OAHLLOKOSA-N 0 1 290.363 2.924 20 30 CFEDMN CCCCOC(=O)CCN(C)Cc1cc(C#N)cs1 ZINC000933778053 617776470 /nfs/dbraw/zinc/77/64/70/617776470.db2.gz JNDGDIYJOJQMDP-UHFFFAOYSA-N 0 1 280.393 2.785 20 30 CFEDMN C#CCN(CC(=O)N(C)Cc1ccccc1F)C(C)(C)C ZINC000932465706 617777178 /nfs/dbraw/zinc/77/71/78/617777178.db2.gz LYHSNZIZFZVKLE-UHFFFAOYSA-N 0 1 290.382 2.518 20 30 CFEDMN CC[C@@H](NCC#CCOC)c1cc(F)ccc1OC ZINC000932471811 617789335 /nfs/dbraw/zinc/78/93/35/617789335.db2.gz DFIFKWUCJMGPHE-CQSZACIVSA-N 0 1 265.328 2.525 20 30 CFEDMN CCCCCNC(=O)C(C#N)C(=O)CCC(C)(C)C ZINC000121610262 617789942 /nfs/dbraw/zinc/78/99/42/617789942.db2.gz CHOISAKNNORIPP-LBPRGKRZSA-N 0 1 266.385 2.828 20 30 CFEDMN C=C(C)C[N@H+](C)[C@H]1CCCN(c2ccc(C)cc2)C1=O ZINC000778231602 617811231 /nfs/dbraw/zinc/81/12/31/617811231.db2.gz GVUKBOUHICJLRK-INIZCTEOSA-N 0 1 272.392 2.998 20 30 CFEDMN C=C(C)CN(C)[C@H]1CCCN(c2ccc(C)cc2)C1=O ZINC000778231602 617811242 /nfs/dbraw/zinc/81/12/42/617811242.db2.gz GVUKBOUHICJLRK-INIZCTEOSA-N 0 1 272.392 2.998 20 30 CFEDMN C[C@H](NCC1(CC#N)CC1)c1cnnn1-c1ccccc1 ZINC000926345930 617941817 /nfs/dbraw/zinc/94/18/17/617941817.db2.gz SOFUMPAPYNQQCD-ZDUSSCGKSA-N 0 1 281.363 2.612 20 30 CFEDMN Cc1cccnc1N=NCc1cnn(CC2CCC2)c1 ZINC000901234508 620768645 /nfs/dbraw/zinc/76/86/45/620768645.db2.gz RSSVEIPNHKSAMP-UHFFFAOYSA-N 0 1 269.352 2.833 20 30 CFEDMN CC#CC[N@H+]1CC[C@H]2[C@@H](CCCN2C(=O)C2CCCC2)C1 ZINC001021493752 618028132 /nfs/dbraw/zinc/02/81/32/618028132.db2.gz VWMUCHDCOJTSQJ-IRXDYDNUSA-N 0 1 288.435 2.513 20 30 CFEDMN Cc1nc(Br)c(C=NOC/C=C/Cl)[nH]1 ZINC000901244374 620771064 /nfs/dbraw/zinc/77/10/64/620771064.db2.gz UBFBWYCKMRMLKW-PYHIHCLUSA-N 0 1 278.537 2.584 20 30 CFEDMN CCC(CC)CNN=Cc1[nH]c(C)nc1Br ZINC000901222426 620773483 /nfs/dbraw/zinc/77/34/83/620773483.db2.gz ITHDQQYCUUOPCM-UHFFFAOYSA-N 0 1 287.205 2.840 20 30 CFEDMN Cc1nn(C)cc1C(=O)/C=C\c1cc(F)c(O)c(F)c1 ZINC000255195538 618078105 /nfs/dbraw/zinc/07/81/05/618078105.db2.gz ZBBZMKDXHAQMOF-ARJAWSKDSA-N 0 1 278.258 2.608 20 30 CFEDMN CCn1nccc1/C=C\C(=O)c1ccc(OC)cc1O ZINC000255217361 618113448 /nfs/dbraw/zinc/11/34/48/618113448.db2.gz WUXITDJPMLANTM-DAXSKMNVSA-N 0 1 272.304 2.513 20 30 CFEDMN Cc1csc(C[C@H]2CCN(Cc3cncc(C#N)c3)C2)n1 ZINC000933127312 618161653 /nfs/dbraw/zinc/16/16/53/618161653.db2.gz WXIGXVUWPLMLLJ-CYBMUJFWSA-N 0 1 298.415 2.783 20 30 CFEDMN COCc1ccc(C(=O)Nc2cc(C#N)ccc2O)cc1 ZINC000176832913 618210258 /nfs/dbraw/zinc/21/02/58/618210258.db2.gz QZXNTKARGVMAPL-UHFFFAOYSA-N 0 1 282.299 2.663 20 30 CFEDMN C(#Cc1ccccc1)CNC1([C@H]2CCCCO2)CC1 ZINC000933376321 618215027 /nfs/dbraw/zinc/21/50/27/618215027.db2.gz QZNLMRUDGGHCJC-MRXNPFEDSA-N 0 1 255.361 2.729 20 30 CFEDMN C=C(C)CN1CCC(Nc2cncc(F)c2C(C)=O)CC1 ZINC000892396794 618224377 /nfs/dbraw/zinc/22/43/77/618224377.db2.gz QZQJNVUXDMPQOR-UHFFFAOYSA-N 0 1 291.370 2.876 20 30 CFEDMN N#CC(C(=O)c1cnc(C2CC2)o1)c1nc2ccccc2[nH]1 ZINC000892420305 618234864 /nfs/dbraw/zinc/23/48/64/618234864.db2.gz QTCQCDDYDWZNRH-JTQLQIEISA-N 0 1 292.298 2.918 20 30 CFEDMN Cc1ncoc1CN1CCCN(c2ccccc2C#N)CC1 ZINC000893960676 618247549 /nfs/dbraw/zinc/24/75/49/618247549.db2.gz ZOAZKJLJRUAYFQ-UHFFFAOYSA-N 0 1 296.374 2.567 20 30 CFEDMN N#Cc1csc(/C=C\C(=O)c2cc(O)ccc2O)c1 ZINC000255690905 618264425 /nfs/dbraw/zinc/26/44/25/618264425.db2.gz WHMMYODGOYEQQV-RQOWECAXSA-N 0 1 271.297 2.927 20 30 CFEDMN CC1(C)CCC[C@@H](C(=O)C(C#N)C(=O)Nc2ccccn2)C1 ZINC000179386385 618269052 /nfs/dbraw/zinc/26/90/52/618269052.db2.gz BBRSFQGUUOSNIO-OLZOCXBDSA-N 0 1 299.374 2.945 20 30 CFEDMN C#C[C@H](N[C@H](C)c1cc(F)cc(F)c1)[C@H]1CCCO1 ZINC000775572665 618278168 /nfs/dbraw/zinc/27/81/68/618278168.db2.gz STYWUBGTWYZDEE-WKPIXPDZSA-N 0 1 265.303 2.796 20 30 CFEDMN C#C[C@H](N[C@@H](C)c1ccc(OC)cc1)[C@H]1CCCO1 ZINC000775574058 618280504 /nfs/dbraw/zinc/28/05/04/618280504.db2.gz NJAFCUSKCZLWEM-VBNZEHGJSA-N 0 1 259.349 2.527 20 30 CFEDMN C=C(C)CN1CCCC[C@H]1CNC(=O)c1ccc(C)o1 ZINC001024310709 618292031 /nfs/dbraw/zinc/29/20/31/618292031.db2.gz OYUJKAZJUDULGO-AWEZNQCLSA-N 0 1 276.380 2.748 20 30 CFEDMN C=C(C)C[N@H+]1CCCC[C@@H]1CNC(=O)c1ccc(C)nc1 ZINC001024333179 618294266 /nfs/dbraw/zinc/29/42/66/618294266.db2.gz NCVITMJHBCFMCC-MRXNPFEDSA-N 0 1 287.407 2.550 20 30 CFEDMN C=C(Cl)CN1CC[C@@](C(=O)OCC)(C(C)C)C1 ZINC000194882366 618305134 /nfs/dbraw/zinc/30/51/34/618305134.db2.gz BEILWTIUQSPDMK-ZDUSSCGKSA-N 0 1 259.777 2.650 20 30 CFEDMN N#Cc1cc(Cl)cc(CN2CCCCC[C@@H]2CO)c1 ZINC000930871180 618305284 /nfs/dbraw/zinc/30/52/84/618305284.db2.gz WZSFJZQCAYKYBF-OAHLLOKOSA-N 0 1 278.783 2.949 20 30 CFEDMN CCCCCCNC(=O)C(C#N)C(=O)C[C@@H]1C[C@H]1C1CC1 ZINC000892465108 618307885 /nfs/dbraw/zinc/30/78/85/618307885.db2.gz NUWTYMBZGVQQPO-KKUMJFAQSA-N 0 1 290.407 2.828 20 30 CFEDMN C=CCN1CCCC[C@H]1CNC(=O)c1[nH]ccc1C1CC1 ZINC001024471489 618326037 /nfs/dbraw/zinc/32/60/37/618326037.db2.gz GHVWUHWVHDKQEF-AWEZNQCLSA-N 0 1 287.407 2.662 20 30 CFEDMN O=C(/C=C\c1ccc(O)c(F)c1)c1ccc(O)cc1O ZINC000255850016 618357655 /nfs/dbraw/zinc/35/76/55/618357655.db2.gz VONJGYHXPQHXPQ-KTAJNNJTSA-N 0 1 274.247 2.839 20 30 CFEDMN C#CCN1CCCC[C@H]1CNC(=O)c1ccccc1CCC ZINC001024545063 618359328 /nfs/dbraw/zinc/35/93/28/618359328.db2.gz CYSLVLCFTARNKA-KRWDZBQOSA-N 0 1 298.430 2.857 20 30 CFEDMN N#CC(C(=O)C[C@@H]1CCC2(CCC2)CO1)c1ccccn1 ZINC000892483119 618360389 /nfs/dbraw/zinc/36/03/89/618360389.db2.gz KSEWYLHPTVZDQV-KBPBESRZSA-N 0 1 284.359 2.997 20 30 CFEDMN CN(Cc1csc(C#N)c1)C[C@@H](O)c1cccc(C#N)c1 ZINC000895141316 618374234 /nfs/dbraw/zinc/37/42/34/618374234.db2.gz JQWRMXBTVNXAMB-MRXNPFEDSA-N 0 1 297.383 2.657 20 30 CFEDMN N#CC(C(=O)C[C@@H]1C[C@H]1C1CC1)C(=O)Nc1ccccc1 ZINC000892494695 618382766 /nfs/dbraw/zinc/38/27/66/618382766.db2.gz HPFZHNCWBJRTKH-QEJZJMRPSA-N 0 1 282.343 2.770 20 30 CFEDMN C=CCN1CCCC[C@@H]1CNC(=O)c1nccc2occc21 ZINC001024573244 618387633 /nfs/dbraw/zinc/38/76/33/618387633.db2.gz YMUBPWPBFCJFBO-CYBMUJFWSA-N 0 1 299.374 2.598 20 30 CFEDMN C=CCN1CCCC[C@@H]1CNC(=O)c1occ2c1CCC2 ZINC001024574984 618390087 /nfs/dbraw/zinc/39/00/87/618390087.db2.gz GMLYBIWEBIGUNH-CQSZACIVSA-N 0 1 288.391 2.539 20 30 CFEDMN C=CCN1CCCC[C@@H]1CNC(=O)c1ccoc1C1CC1 ZINC001024619945 618423840 /nfs/dbraw/zinc/42/38/40/618423840.db2.gz JDIUNFJHTNYWGF-CQSZACIVSA-N 0 1 288.391 2.927 20 30 CFEDMN C=CCN1CCCC[C@H]1CNC(=O)C1CCC(=C)CC1 ZINC001024634749 618427966 /nfs/dbraw/zinc/42/79/66/618427966.db2.gz XMVYJMWLDMRDSX-INIZCTEOSA-N 0 1 276.424 2.890 20 30 CFEDMN CSCCON=C1CCN(CCC(F)(F)F)CC1 ZINC000794574818 618435435 /nfs/dbraw/zinc/43/54/35/618435435.db2.gz RBZMUJFHVQJPTN-UHFFFAOYSA-N 0 1 284.347 2.770 20 30 CFEDMN C=CC1CCN(CN2C(=O)[C@H]3CCCCC[C@H]32)CC1 ZINC000749953457 618465345 /nfs/dbraw/zinc/46/53/45/618465345.db2.gz MPTZNJBEYKVJNU-LSDHHAIUSA-N 0 1 262.397 2.633 20 30 CFEDMN C#CCN1CCC[C@H](Nc2ccc(C(F)(F)F)nc2)C1 ZINC000895203268 618467324 /nfs/dbraw/zinc/46/73/24/618467324.db2.gz WBGUVVBJPBVYIX-LBPRGKRZSA-N 0 1 283.297 2.610 20 30 CFEDMN C#CCN1CCCC[C@@H]1CNC(=O)c1ccc(C)cc1C ZINC001024788924 618471726 /nfs/dbraw/zinc/47/17/26/618471726.db2.gz PHABXLGIRMHTOV-MRXNPFEDSA-N 0 1 284.403 2.521 20 30 CFEDMN Oc1ccc(C=NNc2ccc(Br)cn2)cc1 ZINC000727266262 618473989 /nfs/dbraw/zinc/47/39/89/618473989.db2.gz NNKFCAVYHJOLOO-UHFFFAOYSA-N 0 1 292.136 2.996 20 30 CFEDMN COc1cccc2c1OCCC2N=Nc1ccc(C)cn1 ZINC000727259287 618476230 /nfs/dbraw/zinc/47/62/30/618476230.db2.gz BBHWIOZWCZVEIG-UHFFFAOYSA-N 0 1 283.331 2.997 20 30 CFEDMN Cc1ccc(N=NCc2c[nH]nc2C(C)(C)C)nc1 ZINC000727260534 618476960 /nfs/dbraw/zinc/47/69/60/618476960.db2.gz XVAOGLGKGQUWPA-UHFFFAOYSA-N 0 1 257.341 2.857 20 30 CFEDMN Cc1ncoc1CNC1(c2cccc(C#N)c2)CCOCC1 ZINC000895279464 618507093 /nfs/dbraw/zinc/50/70/93/618507093.db2.gz ZZLTUSNTKXBGIV-UHFFFAOYSA-N 0 1 297.358 2.650 20 30 CFEDMN N#CC[C@@H]1CCCN(Cc2cccc3c2OCC3)C1 ZINC000895314153 618528451 /nfs/dbraw/zinc/52/84/51/618528451.db2.gz RFRUYGOXLBJVLM-ZDUSSCGKSA-N 0 1 256.349 2.747 20 30 CFEDMN C#CC1(O)CCN(Cc2cc(C)cc(Cl)c2)CC1 ZINC000895385609 618561756 /nfs/dbraw/zinc/56/17/56/618561756.db2.gz FWYPEKGBGKMYMB-UHFFFAOYSA-N 0 1 263.768 2.609 20 30 CFEDMN C#CCCN1C[C@H]2CC[C@@H](C1)N2C(=O)C[C@H]1CC[C@H](C)C1 ZINC001017820335 618672569 /nfs/dbraw/zinc/67/25/69/618672569.db2.gz AOIKKVFNIMUIPR-LUKYLMHMSA-N 0 1 288.435 2.511 20 30 CFEDMN CCc1nn(C)cc1/C=C/C(=O)c1ccc(OC)cc1O ZINC000092208784 618713928 /nfs/dbraw/zinc/71/39/28/618713928.db2.gz OTRXHELUWFKJOD-VMPITWQZSA-N 0 1 286.331 2.593 20 30 CFEDMN C[C@H]1C[C@@H](Nc2cc(C#N)sc2[N+](=O)[O-])CN1C1CC1 ZINC000892876008 618762027 /nfs/dbraw/zinc/76/20/27/618762027.db2.gz MQUDSOKWUYPYHJ-DTWKUNHWSA-N 0 1 292.364 2.565 20 30 CFEDMN CC(C)[C@H](F)C(=O)C(C#N)C(=O)Nc1ccc(Cl)cc1 ZINC000784490510 618779423 /nfs/dbraw/zinc/77/94/23/618779423.db2.gz GAROTXKQDSZISB-RYUDHWBXSA-N 0 1 296.729 2.981 20 30 CFEDMN C=C(C)CN1CCC[C@H](NC(=O)c2cc(C(C)C)on2)C1 ZINC001008075507 618912527 /nfs/dbraw/zinc/91/25/27/618912527.db2.gz FMOGDNGBZQSBBD-ZDUSSCGKSA-N 0 1 291.395 2.568 20 30 CFEDMN C=C(C)CN1CCC[C@H](NC(=O)[C@H]2CC[C@H](C)CC2)C1 ZINC001009274149 618986660 /nfs/dbraw/zinc/98/66/60/618986660.db2.gz NBXQBOMJBKWIBS-JYJNAYRXSA-N 0 1 278.440 2.969 20 30 CFEDMN C=C(C)CN1CCC[C@@H](NC(=O)c2ccc(C)cc2)C1 ZINC001009310694 618989086 /nfs/dbraw/zinc/98/90/86/618989086.db2.gz FVVUZMVEYDSLJC-MRXNPFEDSA-N 0 1 272.392 2.765 20 30 CFEDMN C[C@H](NC[C@@]1(C(F)(F)F)CCCN1)c1ccc(C#N)cc1 ZINC000925857657 619185914 /nfs/dbraw/zinc/18/59/14/619185914.db2.gz VLCGPGVRHWBVEM-SMDDNHRTSA-N 0 1 297.324 2.893 20 30 CFEDMN Cc1cc(C#N)ccc1CN1CCC[C@@H]1c1ccnn1C ZINC000932263070 619224403 /nfs/dbraw/zinc/22/44/03/619224403.db2.gz ALBFSWSQZAMBHR-QGZVFWFLSA-N 0 1 280.375 2.937 20 30 CFEDMN C#C[C@@H](NCc1cnc(CC(F)(F)F)s1)C(C)C ZINC000894386656 619362763 /nfs/dbraw/zinc/36/27/63/619362763.db2.gz CHIAVVDRODXVIJ-SNVBAGLBSA-N 0 1 276.327 2.995 20 30 CFEDMN Cc1[nH]nc(CNc2ccc(F)cc2OCC#N)c1C ZINC000894427420 619381897 /nfs/dbraw/zinc/38/18/97/619381897.db2.gz OPFRXRODJVCLJG-UHFFFAOYSA-N 0 1 274.299 2.680 20 30 CFEDMN C#C[C@@H](N[C@@H](C)COCCOC)c1ccc(Cl)cc1 ZINC000894554010 619418226 /nfs/dbraw/zinc/41/82/26/619418226.db2.gz WTFKAUUSAOYGMF-SWLSCSKDSA-N 0 1 281.783 2.655 20 30 CFEDMN CO[C@H]1CCN(Cc2csc(C#N)c2)CC1(C)C ZINC000894723458 619454091 /nfs/dbraw/zinc/45/40/91/619454091.db2.gz PCQMLIPVLAEHST-ZDUSSCGKSA-N 0 1 264.394 2.867 20 30 CFEDMN C=C[C@@H](CC)CC(=O)O[C@H](C)c1n[nH]c(CC)n1 ZINC000909526189 619572037 /nfs/dbraw/zinc/57/20/37/619572037.db2.gz VXXQODKDBVJWFV-ZJUUUORDSA-N 0 1 251.330 2.574 20 30 CFEDMN C#CC1(NCc2ccc(/C=C/C(=O)OC)o2)CCCC1 ZINC000895676732 619580395 /nfs/dbraw/zinc/58/03/95/619580395.db2.gz CLXOKYIZHIPTIN-CMDGGOBGSA-N 0 1 273.332 2.501 20 30 CFEDMN CN1CC[C@@H]1CNc1cc(C#N)ccc1C(F)(F)F ZINC000895770126 619603057 /nfs/dbraw/zinc/60/30/57/619603057.db2.gz KPNSQYMLJUCZGE-SNVBAGLBSA-N 0 1 269.270 2.693 20 30 CFEDMN N#C[C@H]1CCCN(Cc2cc(Cl)c(F)cc2O)C1 ZINC000896502163 619751208 /nfs/dbraw/zinc/75/12/08/619751208.db2.gz DERZBFSSFMUUDT-SECBINFHSA-N 0 1 268.719 2.920 20 30 CFEDMN C=CCCCCCN(C)C(=O)c1c[nH]cc2ncnc1-2 ZINC000896514773 619754613 /nfs/dbraw/zinc/75/46/13/619754613.db2.gz BCKPUXGNLPTGOP-UHFFFAOYSA-N 0 1 272.352 2.776 20 30 CFEDMN Cc1ccc(CN2CCC[C@@H](Nc3ccc(C#N)cn3)C2)o1 ZINC000896659396 619782203 /nfs/dbraw/zinc/78/22/03/619782203.db2.gz DMLUFDONEYKUTK-OAHLLOKOSA-N 0 1 296.374 2.931 20 30 CFEDMN C#CCN1CCC(NC(=O)c2cccc(C(C)(C)C)c2)CC1 ZINC000928648624 619905226 /nfs/dbraw/zinc/90/52/26/619905226.db2.gz OIRDJCVOMGKKIC-UHFFFAOYSA-N 0 1 298.430 2.812 20 30 CFEDMN CC#CCN(C)Cc1cn(C)nc1-c1cccs1 ZINC000897167453 619942383 /nfs/dbraw/zinc/94/23/83/619942383.db2.gz LINLDBXZPUMEDZ-UHFFFAOYSA-N 0 1 259.378 2.604 20 30 CFEDMN CC#CCN(C)Cc1cn(C)nc1-c1cc(F)ccc1F ZINC000897169320 619943559 /nfs/dbraw/zinc/94/35/59/619943559.db2.gz MUQJQQOICACIHS-UHFFFAOYSA-N 0 1 289.329 2.820 20 30 CFEDMN C=C(Cl)CN(C)C1CCN(C(=O)[C@@H]2CC23CCC3)CC1 ZINC000985684892 620022841 /nfs/dbraw/zinc/02/28/41/620022841.db2.gz JAKBCNGGURLSBQ-AWEZNQCLSA-N 0 1 296.842 2.852 20 30 CFEDMN C=C(Cl)CN[C@H]1CCN(C(=O)Cc2cccs2)[C@H]1C ZINC000985899446 620050284 /nfs/dbraw/zinc/05/02/84/620050284.db2.gz PQTKGABEYVXIJN-AAEUAGOBSA-N 0 1 298.839 2.622 20 30 CFEDMN CC(C)=CC(=O)N1CC[C@H](NCc2ccccc2C#N)[C@H]1C ZINC000985934219 620053283 /nfs/dbraw/zinc/05/32/83/620053283.db2.gz YZZUPOLJECXEAV-PBHICJAKSA-N 0 1 297.402 2.603 20 30 CFEDMN C=C(Cl)CN[C@@H]1CCN(C(=O)c2ccoc2C)[C@@H]1C ZINC000985935260 620053460 /nfs/dbraw/zinc/05/34/60/620053460.db2.gz OKZRFLXQOCZOAB-ZWNOBZJWSA-N 0 1 282.771 2.533 20 30 CFEDMN C=C(Cl)CN[C@@H]1CCN(C(=O)/C=C(\C)C2CC2)[C@H]1C ZINC000985995426 620057050 /nfs/dbraw/zinc/05/70/50/620057050.db2.gz PAGJZZKGRICLSX-HRNWIBGVSA-N 0 1 282.815 2.674 20 30 CFEDMN C=C(Cl)CN[C@H]1CCN(C(=O)CCc2ccoc2)[C@@H]1C ZINC000986125776 620069202 /nfs/dbraw/zinc/06/92/02/620069202.db2.gz DLHMHOMVSHTGAB-OCCSQVGLSA-N 0 1 296.798 2.544 20 30 CFEDMN C=C(Cl)CN[C@@H]1C[C@@H](C)N(C(=O)CC2CCCC2)C1 ZINC000987867328 620158070 /nfs/dbraw/zinc/15/80/70/620158070.db2.gz RWSFQAWGAZKGJO-TZMCWYRMSA-N 0 1 284.831 2.898 20 30 CFEDMN C=C(Cl)CN[C@@H]1C[C@H](C)N(C(=O)CC2(C)CC2)C1 ZINC000989211771 620237382 /nfs/dbraw/zinc/23/73/82/620237382.db2.gz YBCUNMTVRUJHCR-NWDGAFQWSA-N 0 1 270.804 2.508 20 30 CFEDMN C(=NNC1CCCCC1)c1ccc(N2CCOCC2)s1 ZINC000786043407 620240553 /nfs/dbraw/zinc/24/05/53/620240553.db2.gz NWFOKIGOKWFBAQ-UHFFFAOYSA-N 0 1 293.436 2.841 20 30 CFEDMN C=CCN1CCC[C@@H](NC(=O)C(C)=C2CCCC2)C1 ZINC001007056379 620243447 /nfs/dbraw/zinc/24/34/47/620243447.db2.gz FZMNJRLIEVTZHP-OAHLLOKOSA-N 0 1 262.397 2.644 20 30 CFEDMN O=C1C=COC2(CCN(Cc3cc4cnccc4o3)CC2)C1 ZINC000897599115 620255136 /nfs/dbraw/zinc/25/51/36/620255136.db2.gz BJOFQCSYIRGRSW-UHFFFAOYSA-N 0 1 298.342 2.666 20 30 CFEDMN N#Cc1csc(CN[C@@H]2Cc3[nH]c4ccccc4c3C2)n1 ZINC000897629530 620264046 /nfs/dbraw/zinc/26/40/46/620264046.db2.gz KSDUOWQSOUOMEP-JTQLQIEISA-N 0 1 294.383 2.753 20 30 CFEDMN N#Cc1cccc(CN2CC(Cc3ccoc3)C2)c1 ZINC000898162632 620341049 /nfs/dbraw/zinc/34/10/49/620341049.db2.gz SJTPKUGDHWJRCJ-UHFFFAOYSA-N 0 1 252.317 2.826 20 30 CFEDMN C=C(C)CN1CCCN(C(=O)c2cccc3c2CCC3)CC1 ZINC000989775003 620391764 /nfs/dbraw/zinc/39/17/64/620391764.db2.gz LGKSAMDXFXQSJW-UHFFFAOYSA-N 0 1 298.430 2.899 20 30 CFEDMN C#CCCN1CCCN(C(=O)c2coc3ccccc23)CC1 ZINC000989793376 620392757 /nfs/dbraw/zinc/39/27/57/620392757.db2.gz SNFMXYZYAPISPU-UHFFFAOYSA-N 0 1 296.370 2.604 20 30 CFEDMN C=CC(C)(C)NCc1cnc(NC(=O)OC(C)(C)C)cn1 ZINC000898460086 620466829 /nfs/dbraw/zinc/46/68/29/620466829.db2.gz BQSUCXOEQVTSKL-UHFFFAOYSA-N 0 1 292.383 2.878 20 30 CFEDMN C=CC(C)(C)NCc1cc(Br)cnc1OC ZINC000898460156 620466934 /nfs/dbraw/zinc/46/69/34/620466934.db2.gz FLQWXCQHDJLNRO-UHFFFAOYSA-N 0 1 285.185 2.907 20 30 CFEDMN Cn1nc2c(c1/C=C/C(=O)c1cc(F)ccc1O)CCC2 ZINC000899361650 620552931 /nfs/dbraw/zinc/55/29/31/620552931.db2.gz AKWCPJKEHBXGLM-SOFGYWHQSA-N 0 1 286.306 2.650 20 30 CFEDMN Cn1cc(/C=C/C(=O)c2ccccc2O)c(C2CC2)n1 ZINC000899362650 620553723 /nfs/dbraw/zinc/55/37/23/620553723.db2.gz ZCAKIYYYBPGXOW-CMDGGOBGSA-N 0 1 268.316 2.899 20 30 CFEDMN CC(C)Cc1coc(NC(=O)c2ccc(C#N)c(O)c2)n1 ZINC000899448315 620570415 /nfs/dbraw/zinc/57/04/15/620570415.db2.gz NZDKRIAFJHOUGK-UHFFFAOYSA-N 0 1 285.303 2.703 20 30 CFEDMN N#CCC[C@H](C#N)CNC[C@@H]1CCC[C@H](C(F)(F)F)O1 ZINC000901566432 620859046 /nfs/dbraw/zinc/85/90/46/620859046.db2.gz SVLIEOMUNLXTQA-GRYCIOLGSA-N 0 1 289.301 2.520 20 30 CFEDMN C#CCCOc1ccc(C[N@H+](CC(=O)[O-])CC(C)C)cc1 ZINC000901588268 620863357 /nfs/dbraw/zinc/86/33/57/620863357.db2.gz CQDJKMZHEZDXAF-UHFFFAOYSA-N 0 1 289.375 2.631 20 30 CFEDMN C#CCCCCCC[N@@H+]1CC[C@@](C(=O)[O-])(C(F)(F)F)C1 ZINC000901790736 620916668 /nfs/dbraw/zinc/91/66/68/620916668.db2.gz ZTMSRMLKLWITQA-CYBMUJFWSA-N 0 1 291.313 2.909 20 30 CFEDMN C#CCCCCCC[N@H+]1CC2(CCC2)[C@](F)(C(=O)[O-])C1 ZINC000901909450 620938170 /nfs/dbraw/zinc/93/81/70/620938170.db2.gz CDULEWYWTIPXFN-MRXNPFEDSA-N 0 1 281.371 2.849 20 30 CFEDMN C#CCCCCCC[N@H+](C[C@H](C)C(=O)[O-])C1CC1 ZINC000901992145 620950709 /nfs/dbraw/zinc/95/07/09/620950709.db2.gz GWFAGHYPIYPGOC-ZDUSSCGKSA-N 0 1 251.370 2.755 20 30 CFEDMN C=CCOc1cccc(C[N@@H+]2CC[C@H](C)C[C@H]2C(=O)[O-])c1 ZINC000902014416 620958715 /nfs/dbraw/zinc/95/87/15/620958715.db2.gz FKIITGJTBUXSFC-BBRMVZONSA-N 0 1 289.375 2.937 20 30 CFEDMN N#Cc1ccc2nc(NCc3ccnn3C3CCC3)[nH]c2c1 ZINC000902160093 620985565 /nfs/dbraw/zinc/98/55/65/620985565.db2.gz YRGHPJJSCYZELS-UHFFFAOYSA-N 0 1 292.346 2.968 20 30 CFEDMN C=CCCN(C)CN1CCN(Cc2cccc(F)c2)C1=O ZINC000902233498 621003297 /nfs/dbraw/zinc/00/32/97/621003297.db2.gz GABPHIJVGQCVEI-UHFFFAOYSA-N 0 1 291.370 2.529 20 30 CFEDMN C#CC[C@@H]1CCC[N@H+](Cc2ccc(/C=C/C(=O)[O-])o2)C1 ZINC000902441971 621081326 /nfs/dbraw/zinc/08/13/26/621081326.db2.gz DQKAZWNLBXPISF-MMQHEFTJSA-N 0 1 273.332 2.613 20 30 CFEDMN C=C(C)C[N@H+](C)Cc1cn(-c2ccccc2)nc1C(=O)[O-] ZINC000902487275 621112218 /nfs/dbraw/zinc/11/22/18/621112218.db2.gz AVFZOMUTDGOWMY-UHFFFAOYSA-N 0 1 285.347 2.578 20 30 CFEDMN CC[C@@H](NCc1ccnn1C)c1cccc(C#N)c1 ZINC000902742791 621163248 /nfs/dbraw/zinc/16/32/48/621163248.db2.gz YFXLXPWSGHGCME-OAHLLOKOSA-N 0 1 254.337 2.533 20 30 CFEDMN C[C@@H](C#N)OCCN[C@@H](C)c1ccc(F)cc1F ZINC000801940413 621239215 /nfs/dbraw/zinc/23/92/15/621239215.db2.gz XHTLPGPBRGJPCD-UWVGGRQHSA-N 0 1 254.280 2.544 20 30 CFEDMN C[C@@H](NCC1(C#N)CC1)[C@H]1COc2ccccc2C1 ZINC000903108951 621255872 /nfs/dbraw/zinc/25/58/72/621255872.db2.gz ITAKOFMCOKGPHN-TZMCWYRMSA-N 0 1 256.349 2.520 20 30 CFEDMN C=C[C@H](CO)N[C@H]1CCCc2ccc(OC)c(Cl)c21 ZINC000903203175 621284644 /nfs/dbraw/zinc/28/46/44/621284644.db2.gz IXXNHFZXCODNRJ-NEPJUHHUSA-N 0 1 281.783 2.863 20 30 CFEDMN N#Cc1ccc2c(c1)[C@@H](NCc1cnn(CCF)c1)CC2 ZINC000903273559 621309432 /nfs/dbraw/zinc/30/94/32/621309432.db2.gz ARTAEPNEJOIHAA-INIZCTEOSA-N 0 1 284.338 2.501 20 30 CFEDMN Cc1cc(C#N)cc(C)c1C[N@H+]1CC[C@@H](C(=O)[O-])[C@@H](C)C1 ZINC000903408168 621363155 /nfs/dbraw/zinc/36/31/55/621363155.db2.gz FUYLHDCRPLCPSH-DZGCQCFKSA-N 0 1 286.375 2.718 20 30 CFEDMN N#Cc1cc(Cl)cc(C[N@@H+](CC(=O)[O-])CC2CC2)c1 ZINC000903408976 621363789 /nfs/dbraw/zinc/36/37/89/621363789.db2.gz PBGQRJFUCVUHRW-UHFFFAOYSA-N 0 1 278.739 2.508 20 30 CFEDMN C=CC[N@H+](C[C@@H]1C[C@H]1C(=O)[O-])CC1CCCCC1 ZINC000903890811 621460602 /nfs/dbraw/zinc/46/06/02/621460602.db2.gz FLFZDUDGEFPDCD-UONOGXRCSA-N 0 1 251.370 2.775 20 30 CFEDMN C=CC(C)(C)CCCNC(=O)CCSc1nnc(C)[nH]1 ZINC000832721892 625495701 /nfs/dbraw/zinc/49/57/01/625495701.db2.gz RJASTEOKFARIII-UHFFFAOYSA-N 0 1 296.440 2.704 20 30 CFEDMN C=CC(C)(C)CCCNC(=O)[C@H]1CCCc2[nH]ncc21 ZINC000832721580 625495733 /nfs/dbraw/zinc/49/57/33/625495733.db2.gz MDOFIXMFCNTWNW-LBPRGKRZSA-N 0 1 275.396 2.938 20 30 CFEDMN COc1cccc(C#N)c1-c1ccc([C@H]2COCCN2)cc1 ZINC000904912256 621671724 /nfs/dbraw/zinc/67/17/24/621671724.db2.gz WTDRSUMDQZGVCW-MRXNPFEDSA-N 0 1 294.354 2.895 20 30 CFEDMN CC1/C(=C\c2cnc(C(C)(C)C)s2)C(=O)c2ncnn21 ZINC000905080884 621690713 /nfs/dbraw/zinc/69/07/13/621690713.db2.gz MYXGSWFDEONVOP-SMSHQHMSSA-N 0 1 288.376 2.873 20 30 CFEDMN CC1/C(=C\c2cnc(C(C)(C)C)s2)C(=O)c2ncnn21 ZINC000905080883 621690718 /nfs/dbraw/zinc/69/07/18/621690718.db2.gz MYXGSWFDEONVOP-LLIKBPFYSA-N 0 1 288.376 2.873 20 30 CFEDMN N#Cc1c2ccccc2[nH]c1-c1nc([C@@H]2CCCN2)no1 ZINC000905305261 621746540 /nfs/dbraw/zinc/74/65/40/621746540.db2.gz QVIFMLRXEOZUBD-LBPRGKRZSA-N 0 1 279.303 2.514 20 30 CFEDMN CCCn1cc(C(C)=NNc2ccccc2F)nn1 ZINC000905434367 621771644 /nfs/dbraw/zinc/77/16/44/621771644.db2.gz QMKZXYNQAUZGBY-UHFFFAOYSA-N 0 1 261.304 2.663 20 30 CFEDMN CCc1nc[nH]c1C(=O)Nc1ccc(OC(C)C)c(C#N)c1 ZINC000907079061 622082840 /nfs/dbraw/zinc/08/28/40/622082840.db2.gz IQUSQTVSBNFSPW-UHFFFAOYSA-N 0 1 298.346 2.883 20 30 CFEDMN Cc1cc(Br)cnc1N=NC1CN(C)C[C@H]1C ZINC000819827393 622564755 /nfs/dbraw/zinc/56/47/55/622564755.db2.gz ISRRDOITVMUMFL-SECBINFHSA-N 0 1 297.200 2.502 20 30 CFEDMN Cc1cc(Br)cnc1N=NC1C[C@@H](C)N(C)C1 ZINC000819826802 622565369 /nfs/dbraw/zinc/56/53/69/622565369.db2.gz BGXIWIXMWBQUJR-SECBINFHSA-N 0 1 297.200 2.644 20 30 CFEDMN C=CCN(CC=C)C(=O)C[C@H](N)c1ccccc1OCC ZINC000911918578 622575195 /nfs/dbraw/zinc/57/51/95/622575195.db2.gz BHHMEWYUOOGMMX-HNNXBMFYSA-N 0 1 288.391 2.676 20 30 CFEDMN C[C@@H]1CCCC[C@@H]1C(=O)C(C#N)C(=O)NCc1ccccc1 ZINC000819944714 622579462 /nfs/dbraw/zinc/57/94/62/622579462.db2.gz OUELAZJJYPETEX-VNQPRFMTSA-N 0 1 298.386 2.838 20 30 CFEDMN C[C@@H]1CCCC[C@@H]1C(=O)C(C#N)C(=O)Nc1ccccn1 ZINC000819952911 622582044 /nfs/dbraw/zinc/58/20/44/622582044.db2.gz XDDJXNQLGMEIMU-FRRDWIJNSA-N 0 1 285.347 2.555 20 30 CFEDMN C#CCC1(OC(=O)c2cc3[nH]cnc3cc2F)CCC1 ZINC000820883530 622780784 /nfs/dbraw/zinc/78/07/84/622780784.db2.gz JCRZZMGTTMNVIE-UHFFFAOYSA-N 0 1 272.279 2.805 20 30 CFEDMN C=CC[N@H+]1CC[C@]2(NC(=O)c3ccc(CC)o3)CCC[C@@H]12 ZINC000991415880 622789901 /nfs/dbraw/zinc/78/99/01/622789901.db2.gz LUZWOLUDDUVWJZ-NVXWUHKLSA-N 0 1 288.391 2.755 20 30 CFEDMN C[C@H]1CC(NC(=O)c2sccc2C(F)F)=NO1 ZINC000821394679 622912615 /nfs/dbraw/zinc/91/26/15/622912615.db2.gz LVWVCRNWBCQMEK-YFKPBYRVSA-N 0 1 260.265 2.538 20 30 CFEDMN C=CCc1cc(OC)cc(CN2CCO[C@@H](C)[C@H]2C)c1O ZINC000164514874 622958538 /nfs/dbraw/zinc/95/85/38/622958538.db2.gz NDHHNSJORWCYMX-OLZOCXBDSA-N 0 1 291.391 2.739 20 30 CFEDMN C=C[C@@H](CC)CC(=O)NC[C@@H](c1nc[nH]n1)c1ccccc1 ZINC000821887490 623003118 /nfs/dbraw/zinc/00/31/18/623003118.db2.gz WDKJGVBMEBGLCI-DZGCQCFKSA-N 0 1 298.390 2.655 20 30 CFEDMN Cc1cc(F)ccc1C(=O)Nc1cc(C#N)ccc1O ZINC000157204064 623013447 /nfs/dbraw/zinc/01/34/47/623013447.db2.gz YRGLUJWAKHKDRA-UHFFFAOYSA-N 0 1 270.263 2.964 20 30 CFEDMN C=C(C)[C@@H](NC(=O)CN1CCCC1)c1ccc(F)c(F)c1 ZINC000822044290 623023025 /nfs/dbraw/zinc/02/30/25/623023025.db2.gz SEOZREZZBZYWNY-MRXNPFEDSA-N 0 1 294.345 2.794 20 30 CFEDMN CC(C)[C@H](C(=O)O[C@H](C#N)C1CCCCC1)N(C)C ZINC000803701215 623025457 /nfs/dbraw/zinc/02/54/57/623025457.db2.gz ALJMSTDUXGZSKX-ZIAGYGMSSA-N 0 1 266.385 2.588 20 30 CFEDMN C#CCCCN1CCN(c2ccccc2Cl)CC1 ZINC000169040228 623112689 /nfs/dbraw/zinc/11/26/89/623112689.db2.gz YUGXJUQSRLSTOW-UHFFFAOYSA-N 0 1 262.784 2.875 20 30 CFEDMN C#CCOc1ccccc1CN1CC(CC(F)F)C1 ZINC000822521144 623121063 /nfs/dbraw/zinc/12/10/63/623121063.db2.gz XJXWQGHUQWSDRH-UHFFFAOYSA-N 0 1 265.303 2.786 20 30 CFEDMN CC[C@]1(C(=O)[O-])CCC[N@@H+](Cc2ccc(C#N)cc2)C1 ZINC000062877535 623303047 /nfs/dbraw/zinc/30/30/47/623303047.db2.gz NVISTEICSLPWFN-INIZCTEOSA-N 0 1 272.348 2.635 20 30 CFEDMN CCCCCC[C@H](C)C(=O)C(C#N)C(=O)NC(C)C ZINC000173983013 623379291 /nfs/dbraw/zinc/37/92/91/623379291.db2.gz IZVNBHHJMZVYFS-STQMWFEESA-N 0 1 266.385 2.826 20 30 CFEDMN N#Cc1ccc(CNCc2ccc(-n3ccnc3)cc2)o1 ZINC000174310588 623410394 /nfs/dbraw/zinc/41/03/94/623410394.db2.gz ZFLBKMYUXSRUKT-UHFFFAOYSA-N 0 1 278.315 2.627 20 30 CFEDMN C=C(Cl)CNC[C@H]1CCCN1C(=O)OC(C)(C)C ZINC000232499575 623421659 /nfs/dbraw/zinc/42/16/59/623421659.db2.gz WHWVVEGNGIWBHX-LLVKDONJSA-N 0 1 274.792 2.728 20 30 CFEDMN CC#CC[N@H+]1CC[C@]2(NC(=O)[C@@H]3CCC3(C)C)CCC[C@@H]12 ZINC000992125215 623462098 /nfs/dbraw/zinc/46/20/98/623462098.db2.gz CTWBGSNAVZBXOC-HDMKZQKVSA-N 0 1 288.435 2.559 20 30 CFEDMN C=CC[N@H+]1CC[C@@]2(NC(=O)[C@@H]3C[C@H]3CCC)CCC[C@H]12 ZINC000992157384 623472408 /nfs/dbraw/zinc/47/24/08/623472408.db2.gz AIKRPDZBILVJDY-AIANPOQGSA-N 0 1 276.424 2.722 20 30 CFEDMN C[C@@H](CC(=O)Nc1cccc(F)c1)NCC(C)(C)C#N ZINC000757907660 623495554 /nfs/dbraw/zinc/49/55/54/623495554.db2.gz WPXVIACPVSKDOL-NSHDSACASA-N 0 1 277.343 2.682 20 30 CFEDMN COC[C@@H](C)Oc1ccc(CN2CCC(C#N)CC2)cc1 ZINC000824645319 623538955 /nfs/dbraw/zinc/53/89/55/623538955.db2.gz FLZOGMMZSPQOBY-CQSZACIVSA-N 0 1 288.391 2.836 20 30 CFEDMN C=C[C@@H]1OCC[C@H]1[NH2+]Cc1cc(Br)ccc1[O-] ZINC000824862065 623579871 /nfs/dbraw/zinc/57/98/71/623579871.db2.gz UYJIHICWPFUMHX-YPMHNXCESA-N 0 1 298.180 2.588 20 30 CFEDMN C#CCN1CCC(NC(=O)N[C@@H](C)CCCC(C)C)CC1 ZINC000913842627 623614383 /nfs/dbraw/zinc/61/43/83/623614383.db2.gz KDLFCMRBRWYSBJ-HNNXBMFYSA-N 0 1 293.455 2.598 20 30 CFEDMN C=C(Cl)CN[C@H]1CN(C(=O)c2ccccc2)CC1(C)C ZINC000995374838 625662867 /nfs/dbraw/zinc/66/28/67/625662867.db2.gz UMTRERKCJVFALG-AWEZNQCLSA-N 0 1 292.810 2.879 20 30 CFEDMN C#Cc1cccc(CNCc2cnn(C(C)C)c2)c1 ZINC000825225952 623652932 /nfs/dbraw/zinc/65/29/32/623652932.db2.gz BZCPZCZVHSLHBK-UHFFFAOYSA-N 0 1 253.349 2.735 20 30 CFEDMN C=C(C)COCCN[C@@H](C)c1cccnc1Cl ZINC000090451082 623668072 /nfs/dbraw/zinc/66/80/72/623668072.db2.gz IUZKNSCQFQUFLF-NSHDSACASA-N 0 1 254.761 2.978 20 30 CFEDMN CC(C)NC(=O)[C@H](C#N)C(=O)CC1CCC(C)(C)CC1 ZINC000152368021 623687898 /nfs/dbraw/zinc/68/78/98/623687898.db2.gz LCHVEAIOMQDQNM-CYBMUJFWSA-N 0 1 278.396 2.826 20 30 CFEDMN C#C[C@H]([NH2+]Cc1cc(Cl)c(C)cc1[O-])[C@H]1CCCO1 ZINC000825548545 623713495 /nfs/dbraw/zinc/71/34/95/623713495.db2.gz HQWYSWRKULUUQB-DZGCQCFKSA-N 0 1 279.767 2.624 20 30 CFEDMN C#C[C@H](NCc1cc(C(F)(F)F)nn1C)C(C)(C)C ZINC000825939589 623772579 /nfs/dbraw/zinc/77/25/79/623772579.db2.gz CLYGZTSHTMXDDR-JTQLQIEISA-N 0 1 273.302 2.576 20 30 CFEDMN C=C[C@@H]1OCC[C@H]1[NH2+]Cc1ccc(Br)cc1[O-] ZINC000826063915 623788758 /nfs/dbraw/zinc/78/87/58/623788758.db2.gz AEYNYOYXWBFNSH-YPMHNXCESA-N 0 1 298.180 2.588 20 30 CFEDMN C=CCN1CCC[C@H](NC(=O)c2ccc(F)cc2)[C@H]1C ZINC000992946324 623815800 /nfs/dbraw/zinc/81/58/00/623815800.db2.gz FCDWKJLOYNFZSR-DOMZBBRYSA-N 0 1 276.355 2.594 20 30 CFEDMN C#CCC[N@@H+]1CCC[C@@H](NC(=O)c2sccc2C)[C@H]1C ZINC000992982641 623828729 /nfs/dbraw/zinc/82/87/29/623828729.db2.gz MWYMNBRGKJMYIA-ZIAGYGMSSA-N 0 1 290.432 2.663 20 30 CFEDMN C#CCCN1CCC[C@@H](NC(=O)c2sccc2C)[C@H]1C ZINC000992982641 623828739 /nfs/dbraw/zinc/82/87/39/623828739.db2.gz MWYMNBRGKJMYIA-ZIAGYGMSSA-N 0 1 290.432 2.663 20 30 CFEDMN CC(C)ON=Cc1ccccc1N1CCO[C@H](C)C1 ZINC000835004433 623929910 /nfs/dbraw/zinc/92/99/10/623929910.db2.gz OCRYTBVHGATLHV-CYBMUJFWSA-N 0 1 262.353 2.671 20 30 CFEDMN C=C(C)CN1CCC[C@H](NC(=O)c2cnc(C)s2)[C@@H]1C ZINC000993135645 623942726 /nfs/dbraw/zinc/94/27/26/623942726.db2.gz XBKBCBABUQEKJZ-AAEUAGOBSA-N 0 1 293.436 2.610 20 30 CFEDMN C=C(C)CN1CCC[C@H](NC(=O)c2cnc(C)s2)[C@H]1C ZINC000993135670 623942778 /nfs/dbraw/zinc/94/27/78/623942778.db2.gz XBKBCBABUQEKJZ-YPMHNXCESA-N 0 1 293.436 2.610 20 30 CFEDMN C=C(Cl)CN[C@@H]1CN(C(=O)C=C(C)C)CC1(C)C ZINC000995399498 625687724 /nfs/dbraw/zinc/68/77/24/625687724.db2.gz QEWCLHPJKLEECW-GFCCVEGCSA-N 0 1 270.804 2.532 20 30 CFEDMN CC(=NNC(=N)N)c1ccc(-c2ccccc2)s1 ZINC000915050853 623975125 /nfs/dbraw/zinc/97/51/25/623975125.db2.gz LHEQTMUAIRLIFP-UHFFFAOYSA-N 0 1 258.350 2.622 20 30 CFEDMN CCCCCC[C@](C)(CCC)C(=O)N[C@@H]1CNC[C@H]1C#N ZINC000834490317 625693015 /nfs/dbraw/zinc/69/30/15/625693015.db2.gz UEIQBTUXENSOFB-INMHGKMJSA-N 0 1 293.455 2.991 20 30 CFEDMN CC(=NN[C@@H]1CCCCC1(C)C)c1ccc(N)nc1 ZINC000814917836 624034260 /nfs/dbraw/zinc/03/42/60/624034260.db2.gz SVQUMFAUDFVVMX-CYBMUJFWSA-N 0 1 260.385 2.946 20 30 CFEDMN C#C[C@@H]([NH2+]Cc1c([O-])cccc1Cl)C1CCOCC1 ZINC000827570360 624036540 /nfs/dbraw/zinc/03/65/40/624036540.db2.gz NCSBHFREMRFAFJ-CQSZACIVSA-N 0 1 279.767 2.564 20 30 CFEDMN Cc1csc([C@@H](C#N)C(=O)c2ccccc2OCC#N)n1 ZINC000193595113 624058169 /nfs/dbraw/zinc/05/81/69/624058169.db2.gz JXBCSZVELRMGIB-LBPRGKRZSA-N 0 1 297.339 2.844 20 30 CFEDMN Cc1csc(C(C#N)C(=O)c2ccccc2OCC#N)n1 ZINC000193595113 624058174 /nfs/dbraw/zinc/05/81/74/624058174.db2.gz JXBCSZVELRMGIB-LBPRGKRZSA-N 0 1 297.339 2.844 20 30 CFEDMN C=C(C)CN1CCC[C@H](NC(=O)c2cc(C)sn2)[C@H]1C ZINC000993262497 624059391 /nfs/dbraw/zinc/05/93/91/624059391.db2.gz UITCQZWYEDBIDT-OLZOCXBDSA-N 0 1 293.436 2.610 20 30 CFEDMN CC#CCN1CCC[C@@H](NC(=O)C2=CCCCCC2)[C@H]1C ZINC000993304407 624069255 /nfs/dbraw/zinc/06/92/55/624069255.db2.gz RXGTXSBPMTUSMI-NVXWUHKLSA-N 0 1 288.435 2.869 20 30 CFEDMN CC(C)CC(=O)CCN(C)Cc1cccc(C#N)c1 ZINC000827712706 624073794 /nfs/dbraw/zinc/07/37/94/624073794.db2.gz LYOSIDPOLYBHOZ-UHFFFAOYSA-N 0 1 258.365 2.995 20 30 CFEDMN C#CC(=O)N1CCCC[C@H]1c1nc2ccc(Cl)cc2[nH]1 ZINC000837283436 624096731 /nfs/dbraw/zinc/09/67/31/624096731.db2.gz QSMKXGUYJAZYJR-ZDUSSCGKSA-N 0 1 287.750 2.903 20 30 CFEDMN C#CCCN(CCOC)Cc1ccc([C@@H]2C[C@@H]2C)o1 ZINC000827823588 624103905 /nfs/dbraw/zinc/10/39/05/624103905.db2.gz QQSZUQOQXMSTAO-DZGCQCFKSA-N 0 1 261.365 2.875 20 30 CFEDMN C=CCN1CCC[C@H](NC(=O)c2cccc(F)c2C)[C@@H]1C ZINC000993365317 624123077 /nfs/dbraw/zinc/12/30/77/624123077.db2.gz SSLWFMLXSDEROE-BBRMVZONSA-N 0 1 290.382 2.903 20 30 CFEDMN CC#CCN1CCC[C@H](NC(=O)C23CCC(CC2)C3)[C@H]1C ZINC000993479715 624146470 /nfs/dbraw/zinc/14/64/70/624146470.db2.gz BEKBCTHJTGPAHH-CTMQZQKCSA-N 0 1 288.435 2.559 20 30 CFEDMN CC#CCN1CCC[C@H](NC(=O)Cc2ccc(C)cc2)[C@@H]1C ZINC000993551747 624152192 /nfs/dbraw/zinc/15/21/92/624152192.db2.gz CVALROAJTHJEIT-WMZOPIPTSA-N 0 1 298.430 2.530 20 30 CFEDMN C=CCN1CCC[C@H](NC(=O)C2(C3CC3)CCC2)[C@@H]1C ZINC000993655945 624155997 /nfs/dbraw/zinc/15/59/97/624155997.db2.gz IPUSLPFLPMHUJH-ZFWWWQNUSA-N 0 1 276.424 2.722 20 30 CFEDMN C=CCN1CCC[C@H](NC(=O)c2cc(F)ccc2C)[C@@H]1C ZINC000993654305 624156840 /nfs/dbraw/zinc/15/68/40/624156840.db2.gz FLTBBBJQOYFOQY-BBRMVZONSA-N 0 1 290.382 2.903 20 30 CFEDMN C=CCN1CCC[C@H](NC(=O)C2CC3(CCC3)C2)[C@H]1C ZINC000993676730 624157893 /nfs/dbraw/zinc/15/78/93/624157893.db2.gz SNGGPWBRAKPYMM-HIFRSBDPSA-N 0 1 276.424 2.722 20 30 CFEDMN C=CCN1CCC[C@H](NC(=O)c2cc[nH]c2C(C)C)[C@@H]1C ZINC000993707946 624159347 /nfs/dbraw/zinc/15/93/47/624159347.db2.gz UPDIFINHPXNPNO-ZFWWWQNUSA-N 0 1 289.423 2.907 20 30 CFEDMN C=CCN1CCC[C@H](NC(=O)c2ccc(F)c(C)c2)[C@@H]1C ZINC000993724944 624160867 /nfs/dbraw/zinc/16/08/67/624160867.db2.gz GSBUKSKZXXOIDN-BBRMVZONSA-N 0 1 290.382 2.903 20 30 CFEDMN C=C(C)CN1CCC[C@@H](NC(=O)c2cocc2C)[C@H]1C ZINC000993704315 624163424 /nfs/dbraw/zinc/16/34/24/624163424.db2.gz SZUKHPLHUZUSBK-UKRRQHHQSA-N 0 1 276.380 2.747 20 30 CFEDMN C=CCN1CCC[C@@H](NC(=O)c2ccc3[nH]ccc3c2)[C@H]1C ZINC000993738449 624163547 /nfs/dbraw/zinc/16/35/47/624163547.db2.gz BLVOGGBYIBMFAO-CZUORRHYSA-N 0 1 297.402 2.937 20 30 CFEDMN C#CCN1CCC[C@H](NC(=O)c2ccc(CCC)cc2)[C@@H]1C ZINC000993729826 624166198 /nfs/dbraw/zinc/16/61/98/624166198.db2.gz QJKURSXOKNPRSF-YJBOKZPZSA-N 0 1 298.430 2.855 20 30 CFEDMN C#CCN1CCC[C@H](NC(=O)c2c(C)cccc2C)[C@H]1C ZINC000993851962 624171254 /nfs/dbraw/zinc/17/12/54/624171254.db2.gz YIXWWJQFURQNRG-CVEARBPZSA-N 0 1 284.403 2.519 20 30 CFEDMN C=CCN1CCC[C@@H](NC(=O)c2cc(C(C)C)no2)[C@@H]1C ZINC000993931135 624174049 /nfs/dbraw/zinc/17/40/49/624174049.db2.gz RYZSTOBMSYIGCK-QWHCGFSZSA-N 0 1 291.395 2.567 20 30 CFEDMN C=CCN1CCC[C@H](NC(=O)c2csc(C)c2)[C@@H]1C ZINC000993985312 624176733 /nfs/dbraw/zinc/17/67/33/624176733.db2.gz JDNMDGFCWMEJEV-JSGCOSHPSA-N 0 1 278.421 2.825 20 30 CFEDMN CC#CCN1CCC[C@@H](NC(=O)c2csc(C)c2)[C@@H]1C ZINC000994004074 624176994 /nfs/dbraw/zinc/17/69/94/624176994.db2.gz ICAFRPZSKFTYCG-DZGCQCFKSA-N 0 1 290.432 2.663 20 30 CFEDMN C=CCN1CCC[C@H](NC(=O)C2(F)CCCCC2)[C@H]1C ZINC000994154867 624180228 /nfs/dbraw/zinc/18/02/28/624180228.db2.gz DEWSWODZSSIOIN-KGLIPLIRSA-N 0 1 282.403 2.814 20 30 CFEDMN C=CCN1CCC[C@H](NC(=O)C2(F)CCCCC2)[C@@H]1C ZINC000994154865 624180292 /nfs/dbraw/zinc/18/02/92/624180292.db2.gz DEWSWODZSSIOIN-KBPBESRZSA-N 0 1 282.403 2.814 20 30 CFEDMN C=CC[N@@H+]1CCC[C@@H](NC(=O)c2oc(CC)cc2C)[C@@H]1C ZINC000994234401 624184513 /nfs/dbraw/zinc/18/45/13/624184513.db2.gz UEXGTKLWBMQTRH-DZGCQCFKSA-N 0 1 290.407 2.919 20 30 CFEDMN C=CCN1CCC[C@@H](NC(=O)c2oc(CC)cc2C)[C@@H]1C ZINC000994234401 624184514 /nfs/dbraw/zinc/18/45/14/624184514.db2.gz UEXGTKLWBMQTRH-DZGCQCFKSA-N 0 1 290.407 2.919 20 30 CFEDMN CC(=NNc1cc(C)nc(C)n1)c1cc(F)ccc1O ZINC000915970581 624197365 /nfs/dbraw/zinc/19/73/65/624197365.db2.gz HVSLGKUVNRDDGE-UHFFFAOYSA-N 0 1 274.299 2.774 20 30 CFEDMN Clc1ccc(C=NNCCN2CCCCC2)cc1 ZINC000915973790 624198862 /nfs/dbraw/zinc/19/88/62/624198862.db2.gz MGYCXYZVCOPGMP-UHFFFAOYSA-N 0 1 265.788 2.749 20 30 CFEDMN CC(=NNCc1cccc(F)c1)c1ccc(N)cc1 ZINC000915965471 624203725 /nfs/dbraw/zinc/20/37/25/624203725.db2.gz PXPKBZWTHLWRLI-UHFFFAOYSA-N 0 1 257.312 2.922 20 30 CFEDMN COc1cc2c(cc1C=NNc1ccccn1)O[C@H](C)C2 ZINC000916541334 624252267 /nfs/dbraw/zinc/25/22/67/624252267.db2.gz PYCCVXNKJQNLBU-LLVKDONJSA-N 0 1 283.331 2.860 20 30 CFEDMN C=CCN1CCC[C@@H](NC(=O)[C@H]2CC[C@H](C)CC2)[C@@H]1C ZINC000994274798 624268477 /nfs/dbraw/zinc/26/84/77/624268477.db2.gz NEKRTMIKLIBADU-YHUYYLMFSA-N 0 1 278.440 2.968 20 30 CFEDMN CCn1nc(C)c(C=NNc2nc3ccccc3[nH]2)c1C ZINC000916657427 624270890 /nfs/dbraw/zinc/27/08/90/624270890.db2.gz DMYFWIKHELFUQJ-UHFFFAOYSA-N 0 1 282.351 2.842 20 30 CFEDMN C=CC[N@@H+]1CCC[C@H](NC(=O)C2(c3ccccc3)CC2)[C@H]1C ZINC000994352924 624277913 /nfs/dbraw/zinc/27/79/13/624277913.db2.gz SBMVWKJFOZPXHF-WBVHZDCISA-N 0 1 298.430 2.873 20 30 CFEDMN C=CCN1CCC[C@H](NC(=O)C2(c3ccccc3)CC2)[C@H]1C ZINC000994352924 624277918 /nfs/dbraw/zinc/27/79/18/624277918.db2.gz SBMVWKJFOZPXHF-WBVHZDCISA-N 0 1 298.430 2.873 20 30 CFEDMN C=CC[N@@H+]1CCC[C@H](NC(=O)c2ccc(C(F)F)o2)[C@@H]1C ZINC000994354820 624277954 /nfs/dbraw/zinc/27/79/54/624277954.db2.gz UZUBLHBPVRSGAL-QWRGUYRKSA-N 0 1 298.333 2.986 20 30 CFEDMN C=CCN1CCC[C@H](NC(=O)c2ccc(C(F)F)o2)[C@@H]1C ZINC000994354820 624277958 /nfs/dbraw/zinc/27/79/58/624277958.db2.gz UZUBLHBPVRSGAL-QWRGUYRKSA-N 0 1 298.333 2.986 20 30 CFEDMN C=C(C)[C@@H](CO)N1CC=C(c2ccc(Cl)nc2)CC1 ZINC000828620152 624279402 /nfs/dbraw/zinc/27/94/02/624279402.db2.gz OXNDBRPOAZEMIT-CQSZACIVSA-N 0 1 278.783 2.761 20 30 CFEDMN C=CCN1CCC[C@@H](NC(=O)c2ccc3c(c2)CCC3)[C@H]1C ZINC000994388879 624289493 /nfs/dbraw/zinc/28/94/93/624289493.db2.gz NYHUDGRTYUDSBX-RDTXWAMCSA-N 0 1 298.430 2.944 20 30 CFEDMN C#CCN1CCC[C@H](NC(=O)c2ccc(C3CC3)cc2)[C@H]1C ZINC000994448516 624298863 /nfs/dbraw/zinc/29/88/63/624298863.db2.gz FMUKNFVZANXAJQ-KDOFPFPSSA-N 0 1 296.414 2.780 20 30 CFEDMN C=CCN(CC(=O)N(C)Cc1ccc(F)cc1)C(C)C ZINC000917071531 624308155 /nfs/dbraw/zinc/30/81/55/624308155.db2.gz USSDVSSFYBUDMB-UHFFFAOYSA-N 0 1 278.371 2.681 20 30 CFEDMN C=CCN(CC(=O)N(C)[C@H]1CCCC[C@H]1C)C(C)C ZINC000917167988 624320276 /nfs/dbraw/zinc/32/02/76/624320276.db2.gz LARCGHWIJAERDR-CABCVRRESA-N 0 1 266.429 2.920 20 30 CFEDMN C=CCN1C(=O)N=NC1SC[C@@H]1CCC2(CCC2)CO1 ZINC000917210210 624322386 /nfs/dbraw/zinc/32/23/86/624322386.db2.gz POMBFEYUFMEJQO-NSHDSACASA-N 0 1 295.408 2.611 20 30 CFEDMN CC[C@@H](C#N)OC(=O)c1ccc(CN2CCCCC2)o1 ZINC000923831380 624343168 /nfs/dbraw/zinc/34/31/68/624343168.db2.gz GERIZIODHMCJEB-LBPRGKRZSA-N 0 1 276.336 2.724 20 30 CFEDMN C#CC[C@H]1CCCN(Cc2nc(-c3ccccc3)no2)C1 ZINC000829769376 624529538 /nfs/dbraw/zinc/52/95/38/624529538.db2.gz UBFJTOASEYEFAX-AWEZNQCLSA-N 0 1 281.359 2.972 20 30 CFEDMN C#CC[C@@H]1CCCN(Cc2c(C)nn(C)c2Cl)C1 ZINC000829778652 624533030 /nfs/dbraw/zinc/53/30/30/624533030.db2.gz GDZGYAGDBCHIEW-GFCCVEGCSA-N 0 1 265.788 2.617 20 30 CFEDMN CCC[C@@H](C)C(=O)OCC(=O)[C@@H](C#N)c1nc(C)cs1 ZINC000919231868 624538847 /nfs/dbraw/zinc/53/88/47/624538847.db2.gz ZMQCMKHYQFEPEC-MWLCHTKSSA-N 0 1 294.376 2.607 20 30 CFEDMN CCC[C@@H](C)C(=O)OCC(=O)C(C#N)c1nc(C)cs1 ZINC000919231868 624538850 /nfs/dbraw/zinc/53/88/50/624538850.db2.gz ZMQCMKHYQFEPEC-MWLCHTKSSA-N 0 1 294.376 2.607 20 30 CFEDMN C=C1CCC(CNC(=O)NCc2cc(CC)[nH]n2)CC1 ZINC000919570466 624585565 /nfs/dbraw/zinc/58/55/65/624585565.db2.gz LXNKEUMBSGHEQJ-UHFFFAOYSA-N 0 1 276.384 2.518 20 30 CFEDMN CC(C)[C@H](C#N)N1CCN(CCCC(C)(F)F)CC1 ZINC000930113866 624665772 /nfs/dbraw/zinc/66/57/72/624665772.db2.gz FRMYLDNPJMJKGY-ZDUSSCGKSA-N 0 1 273.371 2.588 20 30 CFEDMN C#C[C@@H]1CCCC[C@@H]1OC(=O)c1cccc(-c2nnc[nH]2)c1 ZINC000851536286 634416246 /nfs/dbraw/zinc/41/62/46/634416246.db2.gz GKVHIIWAKDNOEH-DOMZBBRYSA-N 0 1 295.342 2.821 20 30 CFEDMN CCCCCNC(=O)C(C#N)C(=O)CCC1CCC1 ZINC000175096707 624926239 /nfs/dbraw/zinc/92/62/39/624926239.db2.gz XLEZGOPGWZKTCG-ZDUSSCGKSA-N 0 1 264.369 2.582 20 30 CFEDMN CCCCCCNC(=O)C(C#N)C(=O)CCC1CCC1 ZINC000175095968 624926295 /nfs/dbraw/zinc/92/62/95/624926295.db2.gz CFKGLMVBICSNRG-CQSZACIVSA-N 0 1 278.396 2.972 20 30 CFEDMN C=C1CCC(CNC(=O)c2ccc(-c3nnc[nH]3)cc2)CC1 ZINC000830994674 624950039 /nfs/dbraw/zinc/95/00/39/624950039.db2.gz QVRDSRVWUGCAOG-UHFFFAOYSA-N 0 1 296.374 2.948 20 30 CFEDMN C=C1CCC(CNC(=O)c2nnc3ccccc3c2O)CC1 ZINC000830998149 624950481 /nfs/dbraw/zinc/95/04/81/624950481.db2.gz LVESLIVAGFNHSF-UHFFFAOYSA-N 0 1 297.358 2.812 20 30 CFEDMN C#C[C@H](OC(=O)c1cc(-c2ccc(C)o2)n[nH]1)C1CC1 ZINC000179539162 624966920 /nfs/dbraw/zinc/96/69/20/624966920.db2.gz VODIOQXMFYJEBN-ZDUSSCGKSA-N 0 1 270.288 2.547 20 30 CFEDMN N#Cc1ccc(O)c(NC(=O)c2cc3ccccn3c2)c1 ZINC000179736990 624975643 /nfs/dbraw/zinc/97/56/43/624975643.db2.gz ABQSSMUUWMLNBM-UHFFFAOYSA-N 0 1 277.283 2.769 20 30 CFEDMN CC[C@@H](OC1CCCC1)C(=O)Nc1cc(C#N)ccc1O ZINC000179740828 624975727 /nfs/dbraw/zinc/97/57/27/624975727.db2.gz MFVCGKUWQQPECF-OAHLLOKOSA-N 0 1 288.347 2.940 20 30 CFEDMN O=C(/C=C/c1cccc2nccn21)c1ccccc1O ZINC000180315397 625013139 /nfs/dbraw/zinc/01/31/39/625013139.db2.gz SRKFJHUWGXKSIQ-CMDGGOBGSA-N 0 1 264.284 2.936 20 30 CFEDMN COC(=O)C1(C#N)CCN([C@@H](C)c2cccc(C)c2)CC1 ZINC000831691292 625098523 /nfs/dbraw/zinc/09/85/23/625098523.db2.gz LNCJWCRCLMRIOA-AWEZNQCLSA-N 0 1 286.375 2.835 20 30 CFEDMN CC(C)C#CC(=O)N1CCC[C@@H](c2cc(C(C)C)[nH]n2)C1 ZINC000831885774 625165916 /nfs/dbraw/zinc/16/59/16/625165916.db2.gz WUHKJNODZMTBNF-CQSZACIVSA-N 0 1 287.407 2.899 20 30 CFEDMN CCCCCCCCCNC(=O)N[C@H](C)c1nnc[nH]1 ZINC000182243249 625275100 /nfs/dbraw/zinc/27/51/00/625275100.db2.gz ABESJOKTAJUCMN-GFCCVEGCSA-N 0 1 281.404 2.916 20 30 CFEDMN C=C(Cl)CN[C@@H]1CN(C(=O)c2[nH]ccc2C)CC1(C)C ZINC000995754378 625853514 /nfs/dbraw/zinc/85/35/14/625853514.db2.gz OTGFEYVGRNAVLI-GFCCVEGCSA-N 0 1 295.814 2.516 20 30 CFEDMN C=C(Cl)CN[C@@H]1CN(C(=O)[C@H](F)C(C)C)CC1(C)C ZINC000996153405 625878880 /nfs/dbraw/zinc/87/88/80/625878880.db2.gz HYGVQDDDLBGXNS-VXGBXAGGSA-N 0 1 290.810 2.560 20 30 CFEDMN CC(CCCc1cccnc1)=NNCCN1CCCCC1 ZINC000834941408 625930235 /nfs/dbraw/zinc/93/02/35/625930235.db2.gz BROYFGHBRAIIMP-UHFFFAOYSA-N 0 1 288.439 2.856 20 30 CFEDMN CC(N=Nc1ccncn1)c1ccc(N2CCCC2)cc1O ZINC000835002439 625950953 /nfs/dbraw/zinc/95/09/53/625950953.db2.gz QSVQBVQFHKXKBD-UHFFFAOYSA-N 0 1 297.362 2.619 20 30 CFEDMN Cc1ccc(CNN=C2CCCc3nc(N)ccc32)cc1 ZINC000835008261 625955212 /nfs/dbraw/zinc/95/52/12/625955212.db2.gz HYJLAEUKWUKRNO-UHFFFAOYSA-N 0 1 280.375 2.802 20 30 CFEDMN N#Cc1cccc(CNCc2cnn(C3CCC3)c2)c1 ZINC000921522749 625973231 /nfs/dbraw/zinc/97/32/31/625973231.db2.gz UJGYBNHTYNKHNM-UHFFFAOYSA-N 0 1 266.348 2.770 20 30 CFEDMN CCNC(=O)c1ccc(CNCc2csc(C#N)c2)cc1 ZINC000921533190 625979492 /nfs/dbraw/zinc/97/94/92/625979492.db2.gz GEIZBAGNVJLZLF-UHFFFAOYSA-N 0 1 299.399 2.659 20 30 CFEDMN C[C@H]1CN(C)CC1N=Nc1cc(Cl)nc(Cl)c1 ZINC000819828489 625984618 /nfs/dbraw/zinc/98/46/18/625984618.db2.gz FPHWIOFZLXBXDE-ZETCQYMHSA-N 0 1 273.167 2.738 20 30 CFEDMN N#Cc1cc(CN[C@@H]2CC(=O)N(c3ccccc3)C2)cs1 ZINC000921600641 625992286 /nfs/dbraw/zinc/99/22/86/625992286.db2.gz ASUHAJQVKPSQDM-CYBMUJFWSA-N 0 1 297.383 2.515 20 30 CFEDMN CC(C)CC(=O)N1CCC[C@@H](NCc2ccccc2C#N)C1 ZINC000998402601 626048069 /nfs/dbraw/zinc/04/80/69/626048069.db2.gz CNFRMEQQENGCGB-QGZVFWFLSA-N 0 1 299.418 2.685 20 30 CFEDMN CC(C)=CC(=O)N1CCC[C@H](NCc2ccccc2C#N)C1 ZINC000998446895 626050951 /nfs/dbraw/zinc/05/09/51/626050951.db2.gz MWACACRMCXUMNE-KRWDZBQOSA-N 0 1 297.402 2.605 20 30 CFEDMN C=C(Cl)CN[C@@H]1CCCN(C(=O)C[C@H]2C=CCC2)C1 ZINC000998494123 626053568 /nfs/dbraw/zinc/05/35/68/626053568.db2.gz HIILNXRHPVNXPP-UONOGXRCSA-N 0 1 282.815 2.676 20 30 CFEDMN C#CCN1CCC(NC(=O)Nc2c(C)cccc2C)CC1 ZINC000929227016 626054663 /nfs/dbraw/zinc/05/46/63/626054663.db2.gz YEKOCUFUZSCYAV-UHFFFAOYSA-N 0 1 285.391 2.523 20 30 CFEDMN C=C(Cl)CN[C@@H]1CCCN(C(=O)C23CCC(CC2)C3)C1 ZINC000999520991 626075378 /nfs/dbraw/zinc/07/53/78/626075378.db2.gz MJNJSZVSVKHSBP-NPCAHTBFSA-N 0 1 296.842 2.900 20 30 CFEDMN C=C(Cl)CN[C@@H]1CCCN(C(=O)CC2(C)CC2)C1 ZINC000999736278 626078962 /nfs/dbraw/zinc/07/89/62/626078962.db2.gz QEHFEXPAKXSPIR-GFCCVEGCSA-N 0 1 270.804 2.510 20 30 CFEDMN C=CCSCCNCc1c(Cl)n[nH]c1C1CC1 ZINC000921688737 626085069 /nfs/dbraw/zinc/08/50/69/626085069.db2.gz DCZOPULUUSOPLO-UHFFFAOYSA-N 0 1 271.817 2.949 20 30 CFEDMN C=C(Cl)CN[C@H]1CCCN(C(=O)[C@H](C)C(C)C)C1 ZINC001000356174 626112573 /nfs/dbraw/zinc/11/25/73/626112573.db2.gz NQJLISDTCNBYFM-OLZOCXBDSA-N 0 1 272.820 2.612 20 30 CFEDMN C=CC[N@@H+]1CC=C(CNC(=O)c2cccc(C)c2)CC1 ZINC001000399938 626116498 /nfs/dbraw/zinc/11/64/98/626116498.db2.gz DQQGQBPOIYJRTC-UHFFFAOYSA-N 0 1 270.376 2.543 20 30 CFEDMN CC(C)(C)C(=O)N1CCC[C@@H](NCc2ccccc2C#N)C1 ZINC001000754288 626130501 /nfs/dbraw/zinc/13/05/01/626130501.db2.gz PKONGYMBOXBHTC-MRXNPFEDSA-N 0 1 299.418 2.685 20 30 CFEDMN C#CCN1CC=C(CNC(=O)c2ccc(CCC)cc2)CC1 ZINC001001104774 626143662 /nfs/dbraw/zinc/14/36/62/626143662.db2.gz JBWDTHJBKFKOAJ-UHFFFAOYSA-N 0 1 296.414 2.634 20 30 CFEDMN CN(C)C1(C(=O)Nc2ccc(C3CC3)c(C#N)c2)CCC1 ZINC000921823718 626147572 /nfs/dbraw/zinc/14/75/72/626147572.db2.gz IFGMIZJDTCCTBB-UHFFFAOYSA-N 0 1 283.375 2.858 20 30 CFEDMN C#CCN1CC=C(CNC(=O)[C@H]2CCCC[C@H]2CC)CC1 ZINC001001324908 626154924 /nfs/dbraw/zinc/15/49/24/626154924.db2.gz ISTJPYLZCZJDGA-SJORKVTESA-N 0 1 288.435 2.584 20 30 CFEDMN C=C(C)COCCNCc1cc(C)cnc1Cl ZINC000921846368 626162516 /nfs/dbraw/zinc/16/25/16/626162516.db2.gz FEDBJNKHDFIZQH-UHFFFAOYSA-N 0 1 254.761 2.726 20 30 CFEDMN CC#CCN1CCC(NC(=O)[C@@H]2CCC(C)=C(C)C2)CC1 ZINC001002891101 626202331 /nfs/dbraw/zinc/20/23/31/626202331.db2.gz ODUIVOXUFSQYEH-MRXNPFEDSA-N 0 1 288.435 2.727 20 30 CFEDMN C=CCN1CC[C@@H](NC(=O)[C@H]2CCCC(C)(C)C2)C1 ZINC001016362002 626216720 /nfs/dbraw/zinc/21/67/20/626216720.db2.gz JGJFPEOWZONJRN-UONOGXRCSA-N 0 1 264.413 2.579 20 30 CFEDMN N#Cc1cc(CNC[C@]23OCCC[C@H]2C3(F)F)cs1 ZINC000922249519 626251264 /nfs/dbraw/zinc/25/12/64/626251264.db2.gz XOCXYJAHSGAHMV-NEPJUHHUSA-N 0 1 284.331 2.524 20 30 CFEDMN CC#CCN1CCC(NC(=O)c2cc(C)cc(C)c2)CC1 ZINC001004043705 626279923 /nfs/dbraw/zinc/27/99/23/626279923.db2.gz CHULYRYCZNPNLW-UHFFFAOYSA-N 0 1 284.403 2.521 20 30 CFEDMN CC#CCN1CCC(NC(=O)c2cc3ccccc3o2)CC1 ZINC001004095992 626282801 /nfs/dbraw/zinc/28/28/01/626282801.db2.gz RRGRKUJFAKQXHX-UHFFFAOYSA-N 0 1 296.370 2.650 20 30 CFEDMN N#Cc1ccc(CNC[C@H]2CCC[C@@H](C(F)(F)F)O2)o1 ZINC000922696981 626343956 /nfs/dbraw/zinc/34/39/56/626343956.db2.gz MDSOKBSEJBFYAJ-PWSUYJOCSA-N 0 1 288.269 2.741 20 30 CFEDMN Cc1ccc(CNCc2ccnn2C(C)C)cc1C#N ZINC000922760692 626360212 /nfs/dbraw/zinc/36/02/12/626360212.db2.gz YUQAZGUTJPRZLA-UHFFFAOYSA-N 0 1 268.364 2.934 20 30 CFEDMN Cc1nc2c(cccc2CCNCc2nc(C#N)cs2)o1 ZINC000922772384 626362230 /nfs/dbraw/zinc/36/22/30/626362230.db2.gz UKWIEFOVXHCUJN-UHFFFAOYSA-N 0 1 298.371 2.797 20 30 CFEDMN C#CCN(Cc1ccc(N)nc1)[C@@H]1CCc2ccccc21 ZINC000929333250 626407010 /nfs/dbraw/zinc/40/70/10/626407010.db2.gz FZWYNYQDRHPQJR-QGZVFWFLSA-N 0 1 277.371 2.787 20 30 CFEDMN C#CCN1CCC(N(C)C(=O)CC2CCCCC2)CC1 ZINC001005082056 626409297 /nfs/dbraw/zinc/40/92/97/626409297.db2.gz CKSLLXUWAJRYRK-UHFFFAOYSA-N 0 1 276.424 2.513 20 30 CFEDMN CC#CCN1CCC(N(C)C(=O)C(C)=C2CCCC2)CC1 ZINC001005233178 626413231 /nfs/dbraw/zinc/41/32/31/626413231.db2.gz NUVJEPYMAZVITJ-UHFFFAOYSA-N 0 1 288.435 2.823 20 30 CFEDMN C#CCN1CCC(N(C)C(=O)c2ccc3occc3c2)CC1 ZINC001005430536 626414768 /nfs/dbraw/zinc/41/47/68/626414768.db2.gz ZEGCQCUYUVKAMY-UHFFFAOYSA-N 0 1 296.370 2.602 20 30 CFEDMN C#CCN1CCC(N(C)C(=O)c2sc(C)cc2C)CC1 ZINC001005456819 626415125 /nfs/dbraw/zinc/41/51/25/626415125.db2.gz KYNUTEFRPSHCEX-UHFFFAOYSA-N 0 1 290.432 2.535 20 30 CFEDMN CC#CCN1CCC(N(C)C(=O)[C@]2(C)CC=CCC2)CC1 ZINC001005441729 626415190 /nfs/dbraw/zinc/41/51/90/626415190.db2.gz LTXFUIBMBZCXDT-GOSISDBHSA-N 0 1 288.435 2.679 20 30 CFEDMN N#Cc1csc(CN[C@H]2c3ccccc3CC[C@H]2O)c1 ZINC000922991495 626440820 /nfs/dbraw/zinc/44/08/20/626440820.db2.gz YGFCJUSELBYULX-CVEARBPZSA-N 0 1 284.384 2.758 20 30 CFEDMN CC#CCN1CCC(N(C)C(=O)[C@H]2CCC[C@@H](C)C2)CC1 ZINC001005904019 626448263 /nfs/dbraw/zinc/44/82/63/626448263.db2.gz AQKQHKSRAFWSGB-CVEARBPZSA-N 0 1 290.451 2.759 20 30 CFEDMN Cc1nc([C@H](C)OC(=O)c2cc(C)c(C#N)c(C)c2)n[nH]1 ZINC000923434341 626473062 /nfs/dbraw/zinc/47/30/62/626473062.db2.gz NSVNFBIJWWIMHA-JTQLQIEISA-N 0 1 284.319 2.520 20 30 CFEDMN C#CCN1CCC(N(C)C(=O)c2cccc(C(C)C)c2)CC1 ZINC001006250263 626481238 /nfs/dbraw/zinc/48/12/38/626481238.db2.gz AYCHSVXDNSSBAA-UHFFFAOYSA-N 0 1 298.430 2.980 20 30 CFEDMN CC/C(C)=C\C(=O)OCC(=O)[C@@H](C#N)c1nc(C)cs1 ZINC000838042348 626484541 /nfs/dbraw/zinc/48/45/41/626484541.db2.gz WPCWKWODINVXEJ-YOOZJCNJSA-N 0 1 292.360 2.527 20 30 CFEDMN CC/C(C)=C\C(=O)OCC(=O)C(C#N)c1nc(C)cs1 ZINC000838042348 626484542 /nfs/dbraw/zinc/48/45/42/626484542.db2.gz WPCWKWODINVXEJ-YOOZJCNJSA-N 0 1 292.360 2.527 20 30 CFEDMN N#Cc1ccccc1/C=C/C(=O)c1cc(O)ccc1O ZINC000121328506 626487384 /nfs/dbraw/zinc/48/73/84/626487384.db2.gz DJAZXIQNPSVVLW-FNORWQNLSA-N 0 1 265.268 2.866 20 30 CFEDMN CCOC(=O)CC(C)(C)CN(CCC#N)CC1CC1 ZINC000838820364 626508019 /nfs/dbraw/zinc/50/80/19/626508019.db2.gz WBVBRMUYFDZJRH-UHFFFAOYSA-N 0 1 266.385 2.591 20 30 CFEDMN C[C@@]1(C(=O)C(C#N)c2cnc3ccccc3n2)CCCCO1 ZINC000838867632 626512202 /nfs/dbraw/zinc/51/22/02/626512202.db2.gz BLNZUQHNGNMTFM-SJCJKPOMSA-N 0 1 295.342 2.765 20 30 CFEDMN N#Cc1ccc(O)c(NC(=O)C2(C(F)F)CCC2)c1 ZINC000867012639 626537801 /nfs/dbraw/zinc/53/78/01/626537801.db2.gz HPWUOUQZLABKLF-UHFFFAOYSA-N 0 1 266.247 2.638 20 30 CFEDMN COC(=O)c1cc(CN=Nc2cccc(F)c2F)cn1C ZINC000790167166 626541194 /nfs/dbraw/zinc/54/11/94/626541194.db2.gz ARIJXKCRWSOQQF-UHFFFAOYSA-N 0 1 293.273 2.536 20 30 CFEDMN C#CC[C@H](NCc1cc(C(N)=O)cs1)c1ccccc1 ZINC000756995064 626543223 /nfs/dbraw/zinc/54/32/23/626543223.db2.gz DHSQUBASZYIFGN-HNNXBMFYSA-N 0 1 284.384 2.701 20 30 CFEDMN C=C(Cl)CN[C@@H](c1ccccc1)C1(CO)CCOCC1 ZINC000839654484 626549616 /nfs/dbraw/zinc/54/96/16/626549616.db2.gz IFFQCBHVRCDBEJ-HNNXBMFYSA-N 0 1 295.810 2.859 20 30 CFEDMN Cc1nn(C)c(Cl)c1/C=C/C(=O)c1ccccc1O ZINC000757476710 626553363 /nfs/dbraw/zinc/55/33/63/626553363.db2.gz ZCWXQRURSRAPQV-BQYQJAHWSA-N 0 1 276.723 2.984 20 30 CFEDMN COc1ccccc1NC(=O)C[C@H](C)NCC(C)(C)C#N ZINC000757905060 626567261 /nfs/dbraw/zinc/56/72/61/626567261.db2.gz FCTWHXVEJNUBJQ-LBPRGKRZSA-N 0 1 289.379 2.552 20 30 CFEDMN Cc1nnc(C)n1N=Cc1cc(Cl)c(O)cc1Cl ZINC000758095413 626576318 /nfs/dbraw/zinc/57/63/18/626576318.db2.gz KGBIRPJHZBQKSJ-UHFFFAOYSA-N 0 1 285.134 2.790 20 30 CFEDMN Cc1cc(N)ccc1C(C)N=Nc1ccc(F)cn1 ZINC000758111279 626576931 /nfs/dbraw/zinc/57/69/31/626576931.db2.gz VGMYPTDZBPBBLX-UHFFFAOYSA-N 0 1 258.300 2.947 20 30 CFEDMN Oc1cc(Cl)c(C=NNC2CCOCC2)cc1Cl ZINC000758116496 626577150 /nfs/dbraw/zinc/57/71/50/626577150.db2.gz GHLOXEGCLSMVHP-UHFFFAOYSA-N 0 1 289.162 2.802 20 30 CFEDMN C=CC[C@H](NC(=O)[C@H]1CCCc2[nH]ncc21)c1ccncc1 ZINC000758161264 626579430 /nfs/dbraw/zinc/57/94/30/626579430.db2.gz DUWGIKCTJUUWDT-ZFWWWQNUSA-N 0 1 296.374 2.658 20 30 CFEDMN CCC1CCC(N(C)Cn2ccc(C)c(C#N)c2=O)CC1 ZINC000758195873 626581465 /nfs/dbraw/zinc/58/14/65/626581465.db2.gz XDTIJFAKFDGBLD-UHFFFAOYSA-N 0 1 287.407 2.887 20 30 CFEDMN Cc1ccn(CN(C2CC2)C2CCCCC2)c(=O)c1C#N ZINC000758206987 626582386 /nfs/dbraw/zinc/58/23/86/626582386.db2.gz PUPDRMVKRXFLMW-UHFFFAOYSA-N 0 1 285.391 2.783 20 30 CFEDMN CC[C@@H](C)[C@@H]1CCCC[N@H+]1Cn1cccc(C#N)c1=O ZINC000758225640 626583693 /nfs/dbraw/zinc/58/36/93/626583693.db2.gz ZHKVBNGEVLBFCU-HIFRSBDPSA-N 0 1 273.380 2.578 20 30 CFEDMN CC[C@@H](C)[C@@H]1CCCCN1Cn1cccc(C#N)c1=O ZINC000758225640 626583696 /nfs/dbraw/zinc/58/36/96/626583696.db2.gz ZHKVBNGEVLBFCU-HIFRSBDPSA-N 0 1 273.380 2.578 20 30 CFEDMN CC(C)CC[C@H]1CCCN1Cn1cccc(C#N)c1=O ZINC000758239576 626584724 /nfs/dbraw/zinc/58/47/24/626584724.db2.gz NDFMMDARIDBCMD-OAHLLOKOSA-N 0 1 273.380 2.578 20 30 CFEDMN CC[C@H]1CCCC1N=Nc1cn[nH]c(=O)c1Cl ZINC000758374246 626590231 /nfs/dbraw/zinc/59/02/31/626590231.db2.gz PQXMWMSYYYTXOH-ZETCQYMHSA-N 0 1 254.721 2.814 20 30 CFEDMN C#CCN(CC)C[C@@H](O)c1ccc(Cl)cc1Cl ZINC000759070811 626627101 /nfs/dbraw/zinc/62/71/01/626627101.db2.gz ZGPJQEZISQUYGY-CYBMUJFWSA-N 0 1 272.175 2.982 20 30 CFEDMN N#Cc1cnc(NC(=O)c2cc(Cl)ccc2O)s1 ZINC000759634922 626678374 /nfs/dbraw/zinc/67/83/74/626678374.db2.gz WXCGENZQINWXMA-UHFFFAOYSA-N 0 1 279.708 2.626 20 30 CFEDMN N#Cc1ccc(O)c(NC(=O)c2c(F)cccc2F)c1 ZINC000759720461 626686850 /nfs/dbraw/zinc/68/68/50/626686850.db2.gz GMMDSCZMJFJUPE-UHFFFAOYSA-N 0 1 274.226 2.794 20 30 CFEDMN COc1ccccc1NC(=O)C(C#N)C(=O)[C@H]1CC12CCC2 ZINC000759834216 626694811 /nfs/dbraw/zinc/69/48/11/626694811.db2.gz NAXANAICLWKKJX-NWDGAFQWSA-N 0 1 298.342 2.533 20 30 CFEDMN CC[C@H](Oc1ccccc1F)C(=O)C(C#N)c1ccncn1 ZINC000760335964 626735780 /nfs/dbraw/zinc/73/57/80/626735780.db2.gz WVIJRWMAMBQFOE-FZMZJTMJSA-N 0 1 299.305 2.650 20 30 CFEDMN N#CC(C(=O)CCc1cccc(Cl)c1)c1ccncn1 ZINC000760337837 626736012 /nfs/dbraw/zinc/73/60/12/626736012.db2.gz BXKNGIGFEQVZSD-ZDUSSCGKSA-N 0 1 285.734 2.939 20 30 CFEDMN N#C[C@H](C(=O)[C@@H]1C[C@]12CCc1ccccc12)c1ccncn1 ZINC000760340831 626737098 /nfs/dbraw/zinc/73/70/98/626737098.db2.gz OGQSPCWSCDNQIB-YEWWUXTCSA-N 0 1 289.338 2.557 20 30 CFEDMN N#C[C@H](C(=O)[C@@H]1C[C@H]1c1c(F)cccc1F)c1ccncn1 ZINC000760355741 626738973 /nfs/dbraw/zinc/73/89/73/626738973.db2.gz ZVZSRPFNIBZVHD-MXWKQRLJSA-N 0 1 299.280 2.735 20 30 CFEDMN N#CC(=C(O)C=CC1CCCCC1)c1ccncn1 ZINC000760356092 626739151 /nfs/dbraw/zinc/73/91/51/626739151.db2.gz FHWBVPMQZRCNHS-FWWRYZNZSA-N 0 1 255.321 2.789 20 30 CFEDMN CC(C)CN(CCC#N)CCc1ccc(C#N)cc1 ZINC000851778813 634523813 /nfs/dbraw/zinc/52/38/13/634523813.db2.gz NDXNQZLYQKZZDA-UHFFFAOYSA-N 0 1 255.365 2.972 20 30 CFEDMN C=CCCCN(C)CC(=O)Nc1ccc(Cl)nc1 ZINC000851779977 634524965 /nfs/dbraw/zinc/52/49/65/634524965.db2.gz PXPVPOXUNVQYHW-UHFFFAOYSA-N 0 1 267.760 2.572 20 30 CFEDMN C[C@H]1CC(N=Nc2cnn(C)c2)CN(Cc2ccccc2)C1 ZINC000761868132 626867212 /nfs/dbraw/zinc/86/72/12/626867212.db2.gz WOOLVYLBEQDPQU-AWEZNQCLSA-N 0 1 297.406 2.730 20 30 CFEDMN Cc1ccc2c(C=NNc3cnn(C)c3)c[nH]c2c1 ZINC000761880536 626869357 /nfs/dbraw/zinc/86/93/57/626869357.db2.gz DXEIZSDMXOVLCL-UHFFFAOYSA-N 0 1 253.309 2.656 20 30 CFEDMN Cn1cc(N=NCc2cccc(-c3cccnc3)c2)cn1 ZINC000761880528 626869421 /nfs/dbraw/zinc/86/94/21/626869421.db2.gz DJZAQJXWBOMPFW-UHFFFAOYSA-N 0 1 277.331 2.928 20 30 CFEDMN C#CCCOc1ccc(CNCc2ccc(F)cn2)cc1 ZINC000763519583 626993739 /nfs/dbraw/zinc/99/37/39/626993739.db2.gz URBMZRBDDMDSRX-UHFFFAOYSA-N 0 1 284.334 2.913 20 30 CFEDMN N#CC(C(=O)C1Cc2ccccc2C1)c1ccccn1 ZINC000763928094 627022940 /nfs/dbraw/zinc/02/29/40/627022940.db2.gz AJMFSAAKZABTDQ-HNNXBMFYSA-N 0 1 262.312 2.673 20 30 CFEDMN Cc1cccc(CNN=Cc2cnc(N3CCCC3)nc2)c1 ZINC000764713467 627086959 /nfs/dbraw/zinc/08/69/59/627086959.db2.gz BTOBTEFJEBYQEM-UHFFFAOYSA-N 0 1 295.390 2.509 20 30 CFEDMN C#Cc1cccc(NC(=O)N2C[C@@H](C)N(CC)C[C@@H]2C)c1 ZINC000766328493 627195582 /nfs/dbraw/zinc/19/55/82/627195582.db2.gz YZMYDYDPCDPPHC-KGLIPLIRSA-N 0 1 285.391 2.614 20 30 CFEDMN C[C@@H]1CCC[C@@H](N(C)Cn2cc3c(c(C#N)c2=O)CCC3)C1 ZINC000766611670 627211181 /nfs/dbraw/zinc/21/11/81/627211181.db2.gz GBSUTDTUQZVXLE-UKRRQHHQSA-N 0 1 299.418 2.677 20 30 CFEDMN C(=NNc1ccccn1)c1ccn(-c2ccccc2)n1 ZINC000766689275 627214844 /nfs/dbraw/zinc/21/48/44/627214844.db2.gz UDKKCKLDNJAIMK-UHFFFAOYSA-N 0 1 263.304 2.713 20 30 CFEDMN C(=N[N-]c1cccc[nH+]1)c1ccn(-c2ccccc2)n1 ZINC000766689275 627214846 /nfs/dbraw/zinc/21/48/46/627214846.db2.gz UDKKCKLDNJAIMK-UHFFFAOYSA-N 0 1 263.304 2.713 20 30 CFEDMN C#CCCCN1CCN(C(=O)CCC2CCCC2)CC1 ZINC000766895743 627225026 /nfs/dbraw/zinc/22/50/26/627225026.db2.gz RXDAQUXILSSQCX-UHFFFAOYSA-N 0 1 276.424 2.514 20 30 CFEDMN COc1cccc(CN(CCC#N)CC(C)C)c1O ZINC000768153223 627320938 /nfs/dbraw/zinc/32/09/38/627320938.db2.gz BBVGOVGUWNWREZ-UHFFFAOYSA-N 0 1 262.353 2.772 20 30 CFEDMN C#CCC(C)(C)C(=O)Nc1ccc(CN(C)C)c(F)c1 ZINC000768230890 627326963 /nfs/dbraw/zinc/32/69/63/627326963.db2.gz ZAPLNDRCUYEQPS-UHFFFAOYSA-N 0 1 276.355 2.875 20 30 CFEDMN C[C@H]1CCC[C@@H](C=NNCCN2CCCCC2)C1 ZINC000768359206 627336278 /nfs/dbraw/zinc/33/62/78/627336278.db2.gz BBUCNLMFQQDGGS-LSDHHAIUSA-N 0 1 251.418 2.874 20 30 CFEDMN Cc1ncsc1C=NNc1cc(C#N)cc(Cl)n1 ZINC000768380323 627338614 /nfs/dbraw/zinc/33/86/14/627338614.db2.gz NWELBMMVGLCACN-UHFFFAOYSA-N 0 1 277.740 2.818 20 30 CFEDMN C=CC[N@H+](Cc1cc([O-])ccc1[N+](=O)[O-])C(C)C ZINC000768547959 627352459 /nfs/dbraw/zinc/35/24/59/627352459.db2.gz UTKYWKXCTWVARD-UHFFFAOYSA-N 0 1 250.298 2.697 20 30 CFEDMN C=CC[N@@H+](Cc1cc([O-])ccc1[N+](=O)[O-])C(C)C ZINC000768547959 627352460 /nfs/dbraw/zinc/35/24/60/627352460.db2.gz UTKYWKXCTWVARD-UHFFFAOYSA-N 0 1 250.298 2.697 20 30 CFEDMN C#CCCN(CC(F)(F)F)C(=O)c1cccc2c[nH]nc21 ZINC000768618399 627358304 /nfs/dbraw/zinc/35/83/04/627358304.db2.gz QCRZTQZMSHOUBS-UHFFFAOYSA-N 0 1 295.264 2.591 20 30 CFEDMN N#Cc1cccc([C@H]2CN(CC3CC=CC3)CCO2)c1 ZINC000851882107 634570367 /nfs/dbraw/zinc/57/03/67/634570367.db2.gz UZVZEFMVDHOAMC-QGZVFWFLSA-N 0 1 268.360 2.898 20 30 CFEDMN C#CCCCCC(=O)OCCN(C)Cc1ccc(F)cc1 ZINC000769128903 627405770 /nfs/dbraw/zinc/40/57/70/627405770.db2.gz AMKJOBVXQSADSW-UHFFFAOYSA-N 0 1 291.366 2.994 20 30 CFEDMN C#CCOc1ccc(CN(C)Cc2cnn(CC)c2)cc1 ZINC000769426716 627437807 /nfs/dbraw/zinc/43/78/07/627437807.db2.gz HDHLDQJOJJOACK-UHFFFAOYSA-N 0 1 283.375 2.547 20 30 CFEDMN CCn1nc(C=NN=c2cc(C)[nH]cn2)c2ccccc21 ZINC000769779599 627473437 /nfs/dbraw/zinc/47/34/37/627473437.db2.gz OEPUSWAMYOEENJ-UHFFFAOYSA-N 0 1 280.335 2.601 20 30 CFEDMN COCCn1cc(C=NNc2c(F)cccc2Cl)cn1 ZINC000769831110 627480498 /nfs/dbraw/zinc/48/04/98/627480498.db2.gz UUDGPCZRBNZGBM-UHFFFAOYSA-N 0 1 296.733 2.768 20 30 CFEDMN CC(=NNCC(C)C)c1ccc(F)cc1N(C)C ZINC000771563297 627614021 /nfs/dbraw/zinc/61/40/21/627614021.db2.gz YAQMLKTWEJREJV-UHFFFAOYSA-N 0 1 251.349 2.861 20 30 CFEDMN C=C(C)[C@H](NC[C@@H]1CCC(=O)O1)c1ccc(F)c(F)c1 ZINC000851947321 634604487 /nfs/dbraw/zinc/60/44/87/634604487.db2.gz YYFBQFPKQOIKCZ-NHYWBVRUSA-N 0 1 281.302 2.877 20 30 CFEDMN CCCCCCNC(=O)C(C#N)C(=O)C1(F)CCCC1 ZINC000773968052 627874403 /nfs/dbraw/zinc/87/44/03/627874403.db2.gz CSTXAMBASAMWET-LBPRGKRZSA-N 0 1 282.359 2.674 20 30 CFEDMN Cc1cc(C(C#N)C(=O)[C@@H]2C[C@H]2C(C)C)nc(C)n1 ZINC000773972891 627875148 /nfs/dbraw/zinc/87/51/48/627875148.db2.gz QNMAUFXOMZRAPF-XQQFMLRXSA-N 0 1 257.337 2.562 20 30 CFEDMN CCc1ccc(NC(=O)[C@@H](C#N)C(=O)c2nccs2)cc1 ZINC000774056820 627882674 /nfs/dbraw/zinc/88/26/74/627882674.db2.gz ZDPUELYEPOETPB-LBPRGKRZSA-N 0 1 299.355 2.667 20 30 CFEDMN CCc1ccc(NC(=O)C(C#N)C(=O)c2nccs2)cc1 ZINC000774056820 627882675 /nfs/dbraw/zinc/88/26/75/627882675.db2.gz ZDPUELYEPOETPB-LBPRGKRZSA-N 0 1 299.355 2.667 20 30 CFEDMN C#CCN1CCC[C@H]1COC(=O)C1=CCCCCC1 ZINC000774064576 627883521 /nfs/dbraw/zinc/88/35/21/627883521.db2.gz WXUQWXFHKFOSQD-HNNXBMFYSA-N 0 1 261.365 2.518 20 30 CFEDMN COC(=O)c1coc(/C=C\C(=O)c2ccc(O)c(F)c2)c1 ZINC000774140986 627893622 /nfs/dbraw/zinc/89/36/22/627893622.db2.gz WWTKACIILPJTAX-HYXAFXHYSA-N 0 1 290.246 2.807 20 30 CFEDMN C=CC[C@@H](N[C@H](C)c1ccnn1C)c1ccncc1 ZINC000774194694 627901023 /nfs/dbraw/zinc/90/10/23/627901023.db2.gz YQCGSHHDQYQOBU-TZMCWYRMSA-N 0 1 256.353 2.783 20 30 CFEDMN CC[C@H](C#N)Oc1cccc(CN[C@@H](C)c2ccnn2C)c1 ZINC000774246412 627908180 /nfs/dbraw/zinc/90/81/80/627908180.db2.gz ZEHNXTGZNYMVDG-DZGCQCFKSA-N 0 1 298.390 2.952 20 30 CFEDMN C[C@H](NCC(=O)Nc1ccc(O)cc1)c1ccc(C#N)cc1 ZINC000775164342 627997016 /nfs/dbraw/zinc/99/70/16/627997016.db2.gz WZLJWTLTOLHMSX-LBPRGKRZSA-N 0 1 295.342 2.553 20 30 CFEDMN C#C[C@@H](NCc1ccc(Br)cc1)[C@@H]1CCCO1 ZINC000775339432 628011981 /nfs/dbraw/zinc/01/19/81/628011981.db2.gz BTZFSESBDWOCPI-KGLIPLIRSA-N 0 1 294.192 2.720 20 30 CFEDMN C#C[C@H](NCc1ccc(F)c(Cl)c1)[C@@H]1CCCO1 ZINC000775342465 628012500 /nfs/dbraw/zinc/01/25/00/628012500.db2.gz RQGGUDHYRJZLAO-KBPBESRZSA-N 0 1 267.731 2.750 20 30 CFEDMN C#C[C@H](NCc1cc2cccc(OC)c2o1)[C@H]1CCCO1 ZINC000775344982 628013436 /nfs/dbraw/zinc/01/34/36/628013436.db2.gz LAISIPGXKNOTFW-LSDHHAIUSA-N 0 1 285.343 2.712 20 30 CFEDMN C#CC[C@@H](NCC(=O)N[C@H](C)C(C)C)c1ccccc1 ZINC000775398330 628020346 /nfs/dbraw/zinc/02/03/46/628020346.db2.gz GNIGHKSWVYJMTA-GDBMZVCRSA-N 0 1 272.392 2.501 20 30 CFEDMN C#CC[C@@H](NCC(=O)NC(C1CC1)C1CC1)c1ccccc1 ZINC000775401678 628021119 /nfs/dbraw/zinc/02/11/19/628021119.db2.gz XPHJNQTUAPSNMG-QGZVFWFLSA-N 0 1 296.414 2.645 20 30 CFEDMN C#C[C@H](N[C@H]1CCCc2ccc(OC)cc21)[C@H]1CCCO1 ZINC000775573237 628041397 /nfs/dbraw/zinc/04/13/97/628041397.db2.gz XTQPUMKCSXZQED-OKZBNKHCSA-N 0 1 285.387 2.843 20 30 CFEDMN C#C[C@@H](NCc1ccccc1C(C)(C)C#N)[C@@H]1CCCO1 ZINC000775796134 628069477 /nfs/dbraw/zinc/06/94/77/628069477.db2.gz TTXMMKMARQYRIA-SJORKVTESA-N 0 1 282.387 2.758 20 30 CFEDMN C#C[C@H](NCCOc1ccc2ccccc2c1)[C@@H]1CCCO1 ZINC000775798710 628070095 /nfs/dbraw/zinc/07/00/95/628070095.db2.gz IMVTZSIICGFXFC-OALUTQOASA-N 0 1 295.382 2.989 20 30 CFEDMN C#CCOc1ccc(CN2CCOC[C@@]2(C)CC)cc1 ZINC000775980155 628090289 /nfs/dbraw/zinc/09/02/89/628090289.db2.gz FIYCJNKZJLVNHO-QGZVFWFLSA-N 0 1 273.376 2.700 20 30 CFEDMN N#CCc1ccc(COC(=O)[C@@H]2CCCc3[nH]ncc32)cc1 ZINC000776109902 628104775 /nfs/dbraw/zinc/10/47/75/628104775.db2.gz FPZFCXCCSBVVHG-CQSZACIVSA-N 0 1 295.342 2.639 20 30 CFEDMN Cc1cccc(CNN=Cc2cnccc2N(C)C)c1 ZINC000776188212 628113707 /nfs/dbraw/zinc/11/37/07/628113707.db2.gz XGOIRPQVLWVGRY-UHFFFAOYSA-N 0 1 268.364 2.580 20 30 CFEDMN CN(C)c1ccncc1C=NNCCCOc1ccccc1 ZINC000776186898 628113867 /nfs/dbraw/zinc/11/38/67/628113867.db2.gz YBXGFLSVUFXYNJ-UHFFFAOYSA-N 0 1 298.390 2.540 20 30 CFEDMN C[C@@H](C(=O)OCCC(C)(C)C#N)N1[C@H](C)CC[C@H]1C ZINC000776385930 628140607 /nfs/dbraw/zinc/14/06/07/628140607.db2.gz IYCRVOYKQDAYJD-UPJWGTAASA-N 0 1 266.385 2.731 20 30 CFEDMN CC(C)[C@@H](C(=O)OCCC(C)(C)C#N)N1CCCCC1 ZINC000776388141 628141266 /nfs/dbraw/zinc/14/12/66/628141266.db2.gz WPBMDIUVBSGGQI-AWEZNQCLSA-N 0 1 280.412 2.980 20 30 CFEDMN Cc1cc(C(C#N)C(=O)[C@@H]2CC[C@@H](C)C2)nc(C)n1 ZINC000776516837 628155646 /nfs/dbraw/zinc/15/56/46/628155646.db2.gz OADSGEXYIIWWHK-WQAKAFBOSA-N 0 1 257.337 2.706 20 30 CFEDMN Cc1cc2ccccc2nc1N=NCc1ccnn1C ZINC000776786181 628177378 /nfs/dbraw/zinc/17/73/78/628177378.db2.gz QWEXVJFVZJKQFZ-UHFFFAOYSA-N 0 1 265.320 2.723 20 30 CFEDMN Cc1nc[nH]c1C=NN[C@H](Cc1ccccc1)C(C)C ZINC000777448187 628227159 /nfs/dbraw/zinc/22/71/59/628227159.db2.gz MRTMQCMUIVJHRB-OAHLLOKOSA-N 0 1 270.380 2.909 20 30 CFEDMN C=CCCCCCN(C)CN1CCC2(CCOCC2)C1=O ZINC000777537511 628233525 /nfs/dbraw/zinc/23/35/25/628233525.db2.gz SLXSOQZHGBUMPM-UHFFFAOYSA-N 0 1 294.439 2.651 20 30 CFEDMN C[C@@H]1CN(C2CC2)CC1N=Nc1cc(Cl)ccn1 ZINC000777906062 628264139 /nfs/dbraw/zinc/26/41/39/628264139.db2.gz RWBWITKLYSZQQA-SECBINFHSA-N 0 1 264.760 2.617 20 30 CFEDMN COc1ccc(C=NNc2cc(Cl)ccn2)c(O)c1 ZINC000777907661 628264510 /nfs/dbraw/zinc/26/45/10/628264510.db2.gz ZGFYWBIVLCQGTL-UHFFFAOYSA-N 0 1 277.711 2.895 20 30 CFEDMN N#CCOc1ccc(Cl)cc1CN1CCC[C@@H]1CCO ZINC000778271324 628293806 /nfs/dbraw/zinc/29/38/06/628293806.db2.gz YXVRGJGOQMRSHS-CQSZACIVSA-N 0 1 294.782 2.589 20 30 CFEDMN CC(=NNc1cc(F)c(F)cc1F)c1cnn(C)c1C ZINC000778542097 628313518 /nfs/dbraw/zinc/31/35/18/628313518.db2.gz PMVPMLLPGZXYSO-UHFFFAOYSA-N 0 1 282.269 2.982 20 30 CFEDMN Nc1nc(Cl)cc(NN=Cc2cc(Cl)ccc2O)n1 ZINC000778546436 628314188 /nfs/dbraw/zinc/31/41/88/628314188.db2.gz IBTLHNNIGKHPEE-UHFFFAOYSA-N 0 1 298.133 2.517 20 30 CFEDMN C[C@@H]1C[C@H]1c1ccc(C=NN=c2cc(Cl)[nH]c(N)n2)o1 ZINC000778548869 628314782 /nfs/dbraw/zinc/31/47/82/628314782.db2.gz JWGJKDPYPZMRGX-VXNVDRBHSA-N 0 1 291.742 2.875 20 30 CFEDMN CC[C@H](C(=O)OCC#Cc1ccccc1)N(CC)CC ZINC000778610502 628319962 /nfs/dbraw/zinc/31/99/62/628319962.db2.gz XLMYFDRUZHLJHV-MRXNPFEDSA-N 0 1 273.376 2.702 20 30 CFEDMN CC(C)(C(=O)OCc1ccc(C#N)c(F)c1)N1CCCC1 ZINC000805612800 628324231 /nfs/dbraw/zinc/32/42/31/628324231.db2.gz ANOQJVIUKLDZKS-UHFFFAOYSA-N 0 1 290.338 2.615 20 30 CFEDMN C#C[C@@](C)(CC)NCC(=O)N(c1ccccc1)C(C)C ZINC000852096839 634650277 /nfs/dbraw/zinc/65/02/77/634650277.db2.gz GHBHQMPJIPHUHW-KRWDZBQOSA-N 0 1 272.392 2.820 20 30 CFEDMN C#CCOc1cccc(Cl)c1CN1CC[C@@H](COC)C1 ZINC000779156811 628357131 /nfs/dbraw/zinc/35/71/31/628357131.db2.gz JPEZQBAMGOBFRS-CYBMUJFWSA-N 0 1 293.794 2.820 20 30 CFEDMN CCC(CC)CN[C@H]1CN(C(=O)OC(C)(C)C)C[C@H]1C#N ZINC000779341355 628375402 /nfs/dbraw/zinc/37/54/02/628375402.db2.gz PMKVWJPIVCWIDZ-KGLIPLIRSA-N 0 1 295.427 2.771 20 30 CFEDMN CCC(CC)CN[C@@H]1CN(C(=O)OC(C)(C)C)C[C@H]1C#N ZINC000779341357 628375698 /nfs/dbraw/zinc/37/56/98/628375698.db2.gz PMKVWJPIVCWIDZ-ZIAGYGMSSA-N 0 1 295.427 2.771 20 30 CFEDMN FC(F)(F)CCN1CCC(N=Nc2ccccn2)CC1 ZINC000779759245 628400303 /nfs/dbraw/zinc/40/03/03/628400303.db2.gz INEQYGKBSWRDKR-UHFFFAOYSA-N 0 1 286.301 2.898 20 30 CFEDMN C#C[C@@](C)(CC)N[C@@H](C)C(=O)Nc1ccc(F)cc1F ZINC000852098969 634653016 /nfs/dbraw/zinc/65/30/16/634653016.db2.gz AFXNDWKYGQGQGI-BONVTDFDSA-N 0 1 280.318 2.683 20 30 CFEDMN CCC(=NNC1=NC[C@@H](C)N1)c1c(F)cccc1Cl ZINC000779791772 628406195 /nfs/dbraw/zinc/40/61/95/628406195.db2.gz GAISDYHGFYEZLY-MRVPVSSYSA-N 0 1 282.750 2.531 20 30 CFEDMN C#C[C@@](C)(CC)N[C@H](C)C(=O)Nc1c(F)cccc1F ZINC000852099050 634653261 /nfs/dbraw/zinc/65/32/61/634653261.db2.gz CMPKEMHGNFCNLQ-BMIGLBTASA-N 0 1 280.318 2.683 20 30 CFEDMN CC(=NNC1=NC[C@@H](C)N1)c1ccc(C(C)(C)C)cc1 ZINC000779798800 628407786 /nfs/dbraw/zinc/40/77/86/628407786.db2.gz IAJPTPWGAYVBSJ-LLVKDONJSA-N 0 1 272.396 2.645 20 30 CFEDMN C[C@@H]1CN=C(NN=C2CCCCc3ccc(Cl)cc32)N1 ZINC000779805844 628408361 /nfs/dbraw/zinc/40/83/61/628408361.db2.gz TXQXSXRVQBKZEE-SNVBAGLBSA-N 0 1 290.798 2.708 20 30 CFEDMN C#C[C@](C)(CC)NCC(=O)Nc1ccc(N2CCCC2)cc1 ZINC000852099682 634654546 /nfs/dbraw/zinc/65/45/46/634654546.db2.gz CMRDIJIYSQRUFE-GOSISDBHSA-N 0 1 299.418 2.617 20 30 CFEDMN Cc1ccc(NN=C2CCc3cc(O)ccc32)nc1 ZINC000780216209 628439923 /nfs/dbraw/zinc/43/99/23/628439923.db2.gz LJIDJKDODWMYQP-UHFFFAOYSA-N 0 1 253.305 2.858 20 30 CFEDMN C#CCN(CC#CC)CCCc1ccccc1OC ZINC000780287754 628451420 /nfs/dbraw/zinc/45/14/20/628451420.db2.gz FZHLUNQKZYFIJL-UHFFFAOYSA-N 0 1 255.361 2.586 20 30 CFEDMN C#C[C@](C)(CC)NCc1cnc(OC)c(Cl)c1 ZINC000852101619 634656584 /nfs/dbraw/zinc/65/65/84/634656584.db2.gz RJYWWUZXGBRFAK-CYBMUJFWSA-N 0 1 252.745 2.635 20 30 CFEDMN C#C[C@@](C)(CC)NCC(=O)Nc1c(C)cccc1C ZINC000852102001 634656592 /nfs/dbraw/zinc/65/65/92/634656592.db2.gz VLTLIXOFVXUEAJ-INIZCTEOSA-N 0 1 258.365 2.633 20 30 CFEDMN C#C[C@](C)(CC)N[C@H](CCCC)C(=O)Nc1cc(C)on1 ZINC000852101539 634656725 /nfs/dbraw/zinc/65/67/25/634656725.db2.gz RVMQCGLBLLAEKG-CZUORRHYSA-N 0 1 291.395 2.872 20 30 CFEDMN Cc1cc(CNCc2ccc(C#N)cn2)ccc1F ZINC000780557673 628476730 /nfs/dbraw/zinc/47/67/30/628476730.db2.gz ZYNHMRXMIDRLDF-UHFFFAOYSA-N 0 1 255.296 2.691 20 30 CFEDMN COc1cc(C)ccc1C(=O)Nc1cc(C#N)ccc1O ZINC000780965717 628509134 /nfs/dbraw/zinc/50/91/34/628509134.db2.gz TWGRQCONIBMCMC-UHFFFAOYSA-N 0 1 282.299 2.833 20 30 CFEDMN C[C@@H]1CCCC(=NNCCN2CCCCC2)[C@H]1C ZINC000781121627 628523323 /nfs/dbraw/zinc/52/33/23/628523323.db2.gz BAEUPMLKZAMABK-KGLIPLIRSA-N 0 1 251.418 2.874 20 30 CFEDMN C#CCCCCNCc1cnn(-c2cc(C)cc(C)c2)n1 ZINC000781414739 628547041 /nfs/dbraw/zinc/54/70/41/628547041.db2.gz LQTCWWYNSWOOJD-UHFFFAOYSA-N 0 1 282.391 2.777 20 30 CFEDMN C#CCNC(=O)CN[C@H](c1ccc(Cl)cc1F)C(C)C ZINC000782101746 628605236 /nfs/dbraw/zinc/60/52/36/628605236.db2.gz SHYZIPOEDQCHGT-HNNXBMFYSA-N 0 1 296.773 2.515 20 30 CFEDMN Cc1cccnc1N=NC1COCc2ccccc21 ZINC000782284748 628623650 /nfs/dbraw/zinc/62/36/50/628623650.db2.gz IZPNENSVXCWYLH-UHFFFAOYSA-N 0 1 253.305 2.736 20 30 CFEDMN C[C@@H](NCc1ccc(C#N)cn1)c1ccc2c(c1)CCO2 ZINC000783300165 628698713 /nfs/dbraw/zinc/69/87/13/628698713.db2.gz JHRFJHXEQFGUMX-GFCCVEGCSA-N 0 1 279.343 2.739 20 30 CFEDMN C=CCS(=O)(=O)CCN[C@@H](C)c1cc2ccccc2o1 ZINC000783536437 628718535 /nfs/dbraw/zinc/71/85/35/628718535.db2.gz NEJFHGZAYLJJLB-LBPRGKRZSA-N 0 1 293.388 2.684 20 30 CFEDMN C#CCN1CCC(C(=O)O[C@H]2CCc3ccccc32)CC1 ZINC000783653514 628731122 /nfs/dbraw/zinc/73/11/22/628731122.db2.gz CMWVZLVKRZBZPG-KRWDZBQOSA-N 0 1 283.371 2.562 20 30 CFEDMN Cc1cc(C=NNCCN2CCCCC2)cc2cccnc12 ZINC000783827340 628748000 /nfs/dbraw/zinc/74/80/00/628748000.db2.gz OCAFGWAHFZEFBM-UHFFFAOYSA-N 0 1 296.418 2.953 20 30 CFEDMN Cc1ccnc(NN=C2CCC(=O)Nc3ccccc32)c1 ZINC000783854995 628750374 /nfs/dbraw/zinc/75/03/74/628750374.db2.gz DXGQTWOZAHKRRW-UHFFFAOYSA-N 0 1 280.331 2.939 20 30 CFEDMN Cc1cccc(NC(=O)C(C#N)C(=O)[C@@H](F)C(C)C)c1 ZINC000784491737 628821075 /nfs/dbraw/zinc/82/10/75/628821075.db2.gz YLFLOUZXQYDTIB-STQMWFEESA-N 0 1 276.311 2.637 20 30 CFEDMN CCOc1ccc(N(C)C(=O)c2ccc(C#N)c(O)c2)cc1 ZINC000785415963 628880854 /nfs/dbraw/zinc/88/08/54/628880854.db2.gz QKAHILMNOMENHJ-UHFFFAOYSA-N 0 1 296.326 2.939 20 30 CFEDMN N#Cc1cc(COC(=O)c2cccc3[nH]ncc32)ccc1F ZINC000785588582 628895953 /nfs/dbraw/zinc/89/59/53/628895953.db2.gz GRLOQQLVCAVCJO-UHFFFAOYSA-N 0 1 295.273 2.931 20 30 CFEDMN C=CCCN(C)CN1C[C@H](c2cccc(C)c2)CC1=O ZINC000786102739 628937161 /nfs/dbraw/zinc/93/71/61/628937161.db2.gz SWPBEHYSWXUDQT-MRXNPFEDSA-N 0 1 272.392 2.776 20 30 CFEDMN Cc1cccc(CNC(=O)C(C#N)C(=O)[C@@H]2CC23CCC3)c1 ZINC000786543057 628967713 /nfs/dbraw/zinc/96/77/13/628967713.db2.gz RFZZMJFHJPKEDD-GJZGRUSLSA-N 0 1 296.370 2.510 20 30 CFEDMN Cc1cccc(CNC(=O)C(C#N)C(=O)[C@H]2CC23CCC3)c1 ZINC000786543061 628967744 /nfs/dbraw/zinc/96/77/44/628967744.db2.gz RFZZMJFHJPKEDD-LSDHHAIUSA-N 0 1 296.370 2.510 20 30 CFEDMN Cc1cccc(CNC(=O)C(C#N)C(=O)C2CCCCC2)c1 ZINC000786548874 628967754 /nfs/dbraw/zinc/96/77/54/628967754.db2.gz OBRAMPBUAAAYMR-INIZCTEOSA-N 0 1 298.386 2.900 20 30 CFEDMN CCCCCCCCN1CCOC[C@H]1CC(=O)OC ZINC000805818934 628977466 /nfs/dbraw/zinc/97/74/66/628977466.db2.gz LOZOHEGPHSYRAM-CQSZACIVSA-N 0 1 271.401 2.611 20 30 CFEDMN CCCCCCCCNC(=O)N(C)CC1CN(C)C1 ZINC000852226284 634698112 /nfs/dbraw/zinc/69/81/12/634698112.db2.gz HFLRFKXMAUVFPW-UHFFFAOYSA-N 0 1 269.433 2.550 20 30 CFEDMN C=C(Cl)CN[C@@H](C)c1ccc(N2CCNC2=O)cc1 ZINC000786861039 628982162 /nfs/dbraw/zinc/98/21/62/628982162.db2.gz UXIJFHMXJBIVNZ-NSHDSACASA-N 0 1 279.771 2.619 20 30 CFEDMN C#CCC1(C(=O)N2CCN(C)[C@@H](C)[C@@H]2C)CCCCC1 ZINC000788238324 629052274 /nfs/dbraw/zinc/05/22/74/629052274.db2.gz LJDQQENWEBXAOL-GJZGRUSLSA-N 0 1 276.424 2.511 20 30 CFEDMN Cc1cc[nH+]c([N-]N=C2CCOc3ccc([N+](=O)[O-])cc32)c1 ZINC000788432902 629066127 /nfs/dbraw/zinc/06/61/27/629066127.db2.gz GDIWWZQCYZYNRI-UHFFFAOYSA-N 0 1 298.302 2.897 20 30 CFEDMN Cc1cccnc1NN=Cc1ccc(-c2cc[nH]n2)o1 ZINC000788440289 629067241 /nfs/dbraw/zinc/06/72/41/629067241.db2.gz FSKOBVZQYRPOQJ-UHFFFAOYSA-N 0 1 267.292 2.819 20 30 CFEDMN N#CCc1ccc(NC(=O)c2c(F)ccc(O)c2O)cc1 ZINC000789944292 629199068 /nfs/dbraw/zinc/19/90/68/629199068.db2.gz QKHJOOZNTLZVCC-UHFFFAOYSA-N 0 1 286.262 2.555 20 30 CFEDMN [O-]c1ccc(Cl)c(F)c1C=NNCC[NH+]1CCCCC1 ZINC000790158454 629214837 /nfs/dbraw/zinc/21/48/37/629214837.db2.gz YSZAEEHGEOCOKS-UHFFFAOYSA-N 0 1 299.777 2.594 20 30 CFEDMN COCCN(C)c1ccc(C=NOC2CCCCC2)cn1 ZINC000790177154 629216164 /nfs/dbraw/zinc/21/61/64/629216164.db2.gz ZTSMERYBNNAXCZ-UHFFFAOYSA-N 0 1 291.395 2.847 20 30 CFEDMN COc1cc(CN=Nc2ncccc2C)ccc1OC(C)=O ZINC000790186717 629217539 /nfs/dbraw/zinc/21/75/39/629217539.db2.gz PYEOQEIGTQQBPC-UHFFFAOYSA-N 0 1 299.330 2.770 20 30 CFEDMN COCCOc1cccc(C=NNc2ncccc2C)c1 ZINC000790187651 629217574 /nfs/dbraw/zinc/21/75/74/629217574.db2.gz YRNAINSJXPEPHI-UHFFFAOYSA-N 0 1 285.347 2.861 20 30 CFEDMN Cc1cccnc1NN=Cc1cn2cccc(F)c2n1 ZINC000790194335 629218471 /nfs/dbraw/zinc/21/84/71/629218471.db2.gz YYJNZIBTCUECSG-UHFFFAOYSA-N 0 1 269.283 2.623 20 30 CFEDMN Cc1cccnc1NN=C1c2cc(Cl)ccc2NC1=O ZINC000790193760 629218927 /nfs/dbraw/zinc/21/89/27/629218927.db2.gz LRRQDDQFIINZBW-UHFFFAOYSA-N 0 1 286.722 2.812 20 30 CFEDMN CC(=NNc1ncccc1C)c1ccc(O)cc1O ZINC000790192709 629218934 /nfs/dbraw/zinc/21/89/34/629218934.db2.gz BMWKOZXTCCFPJT-UHFFFAOYSA-N 0 1 257.293 2.637 20 30 CFEDMN Cn1ccnc1N=NCc1ccc(OCC2CC2)cc1 ZINC000790299577 629226977 /nfs/dbraw/zinc/22/69/77/629226977.db2.gz FIGJVBMPJUFOSJ-UHFFFAOYSA-N 0 1 270.336 2.655 20 30 CFEDMN CSc1ccc(C(C)=NNc2nccn2C)cc1 ZINC000790306328 629229612 /nfs/dbraw/zinc/22/96/12/629229612.db2.gz XZJOIBZLNQASAL-UHFFFAOYSA-N 0 1 260.366 2.978 20 30 CFEDMN N#CC[C@H]1CCCN(Cc2cc(=O)oc3cc(O)ccc23)C1 ZINC000852319559 634718960 /nfs/dbraw/zinc/71/89/60/634718960.db2.gz PAINIYOVTFYTCA-GFCCVEGCSA-N 0 1 298.342 2.624 20 30 CFEDMN C[C@@H](CN1CCC[C@@H](CC#N)C1)NC(=O)OC(C)(C)C ZINC000852318954 634719642 /nfs/dbraw/zinc/71/96/42/634719642.db2.gz CPTXBQGHUYGEPD-STQMWFEESA-N 0 1 281.400 2.525 20 30 CFEDMN Cc1cc2[nH]ncc2cc1NC(=O)C#Cc1ccccc1 ZINC000791056573 629284883 /nfs/dbraw/zinc/28/48/83/629284883.db2.gz HFDAIMUWTMTQOG-UHFFFAOYSA-N 0 1 275.311 2.862 20 30 CFEDMN CCCCCCNC(=O)C(C#N)C(=O)C[C@@H]1CC[C@H]2C[C@H]21 ZINC000835056378 629358635 /nfs/dbraw/zinc/35/86/35/629358635.db2.gz FGZAXXJFHFVKPQ-BYNSBNAKSA-N 0 1 290.407 2.828 20 30 CFEDMN C=CCNC(=O)C(C#N)C(=O)C(CC(C)C)CC(C)C ZINC000835063513 629366188 /nfs/dbraw/zinc/36/61/88/629366188.db2.gz ZONIUDYCEIREEF-AWEZNQCLSA-N 0 1 278.396 2.706 20 30 CFEDMN CC(C)CCCC(=O)C(C#N)C(=O)NC1CCCC1 ZINC000835075287 629371626 /nfs/dbraw/zinc/37/16/26/629371626.db2.gz WWFHSCQEBJPZNB-ZDUSSCGKSA-N 0 1 264.369 2.580 20 30 CFEDMN CC[C@H](C)CC(=O)C(C#N)C(=O)NCc1cccc(C)c1 ZINC000791890454 629372313 /nfs/dbraw/zinc/37/23/13/629372313.db2.gz IIRJCMWMAKSQCB-SWLSCSKDSA-N 0 1 286.375 2.756 20 30 CFEDMN CC[C@@H]1CCC[C@H]1C(=O)C(C#N)C(=O)Nc1ccccn1 ZINC000835076877 629373529 /nfs/dbraw/zinc/37/35/29/629373529.db2.gz MGAFYIBQFGAQDY-JHJVBQTASA-N 0 1 285.347 2.555 20 30 CFEDMN N#CC(C(=O)C[C@@H]1CCCO1)c1nccc2ccccc21 ZINC000792094546 629397001 /nfs/dbraw/zinc/39/70/01/629397001.db2.gz FQPYCXVOUVIRFT-DZGCQCFKSA-N 0 1 280.327 2.980 20 30 CFEDMN CC[C@@H]1CC[C@H](C(=O)C(C#N)c2cnc3ccccc3n2)O1 ZINC000792109907 629398070 /nfs/dbraw/zinc/39/80/70/629398070.db2.gz WOVYRRSCEXTBOA-XHBSWPGZSA-N 0 1 295.342 2.764 20 30 CFEDMN CC(C)CNC(=O)C1CCN(CC#Cc2ccccc2)CC1 ZINC000792197872 629409073 /nfs/dbraw/zinc/40/90/73/629409073.db2.gz BGOKMUZSHKGFGD-UHFFFAOYSA-N 0 1 298.430 2.522 20 30 CFEDMN C=C(Br)CN1CCCCC[C@@H]1CCO ZINC000792925851 629467011 /nfs/dbraw/zinc/46/70/11/629467011.db2.gz LTWCUSJZIUIKGO-LLVKDONJSA-N 0 1 262.191 2.522 20 30 CFEDMN C=CC[C@@H]1CCC[N@@H+](CC(=O)[N-]OCc2ccccc2)C1 ZINC000852408928 634739749 /nfs/dbraw/zinc/73/97/49/634739749.db2.gz CUYUAUGJLZHFSA-OAHLLOKOSA-N 0 1 288.391 2.523 20 30 CFEDMN C=CC[C@H]1CCC[N@@H+](Cc2cnc(C3OCCO3)s2)C1 ZINC000852410281 634740101 /nfs/dbraw/zinc/74/01/01/634740101.db2.gz KYSCTLQSZZVAEK-LBPRGKRZSA-N 0 1 294.420 2.977 20 30 CFEDMN C=CC[C@H]1CCCN(Cc2cnc(C3OCCO3)s2)C1 ZINC000852410281 634740106 /nfs/dbraw/zinc/74/01/06/634740106.db2.gz KYSCTLQSZZVAEK-LBPRGKRZSA-N 0 1 294.420 2.977 20 30 CFEDMN COCC1(C(=O)C(C#N)c2nc3ccccc3o2)CCC1 ZINC000793121713 629490082 /nfs/dbraw/zinc/49/00/82/629490082.db2.gz JPRRHVUOZKPFSJ-LLVKDONJSA-N 0 1 284.315 2.821 20 30 CFEDMN CCOC1(C(=O)C(C#N)c2nc(C)cs2)CCCC1 ZINC000793119099 629490218 /nfs/dbraw/zinc/49/02/18/629490218.db2.gz YTYXJADGRUVTKD-NSHDSACASA-N 0 1 278.377 2.977 20 30 CFEDMN COC(=O)c1ccccc1CN=Nc1cccc(Cl)n1 ZINC000793174175 629498460 /nfs/dbraw/zinc/49/84/60/629498460.db2.gz JGVNUCGLUCLFTN-UHFFFAOYSA-N 0 1 289.722 2.968 20 30 CFEDMN CC(=NNc1cccc(Cl)n1)c1nccnc1C ZINC000793173738 629498531 /nfs/dbraw/zinc/49/85/31/629498531.db2.gz BQRDTPBTKKFQCE-UHFFFAOYSA-N 0 1 261.716 2.670 20 30 CFEDMN Clc1cccc(N=NCc2cnn(-c3ccccc3)n2)n1 ZINC000793180898 629500877 /nfs/dbraw/zinc/50/08/77/629500877.db2.gz DZHNNGORYQZEOO-UHFFFAOYSA-N 0 1 298.737 2.762 20 30 CFEDMN C#CCOCCN1CC2(CCCC2)[C@@H]1c1ccco1 ZINC000852426296 634743326 /nfs/dbraw/zinc/74/33/26/634743326.db2.gz JPZJHZPQXJCVOW-HNNXBMFYSA-N 0 1 259.349 2.847 20 30 CFEDMN C#Cc1cccc(N(CC)Cc2n[nH]c(C(C)C)n2)c1 ZINC000794413178 629644877 /nfs/dbraw/zinc/64/48/77/629644877.db2.gz TYEAPFYBHFGHNJ-UHFFFAOYSA-N 0 1 268.364 2.936 20 30 CFEDMN CCC[C@H](OC)C(=O)C(C#N)c1cnc2ccccc2n1 ZINC000835348037 629648005 /nfs/dbraw/zinc/64/80/05/629648005.db2.gz HYUUQOZDMFQGLU-NHYWBVRUSA-N 0 1 283.331 2.621 20 30 CFEDMN Cc1ccnc(NN=Cc2c(F)ccc(O)c2F)c1 ZINC000794516070 629652892 /nfs/dbraw/zinc/65/28/92/629652892.db2.gz ILRSIVJFJMJCGX-UHFFFAOYSA-N 0 1 263.247 2.820 20 30 CFEDMN C[C@@H](NCc1cccnc1F)c1ccc(OCC#N)cc1 ZINC000794828082 629691129 /nfs/dbraw/zinc/69/11/29/629691129.db2.gz JZTHJQFWLOHYBB-GFCCVEGCSA-N 0 1 285.322 2.974 20 30 CFEDMN Cc1cc(NN=C2CCOc3cc(F)ccc32)nc(C)n1 ZINC000794894915 629701309 /nfs/dbraw/zinc/70/13/09/629701309.db2.gz MMSXIBWAARYKQZ-UHFFFAOYSA-N 0 1 286.310 2.831 20 30 CFEDMN c1ccc2c(c1)CCSCC2=NNc1cncnc1 ZINC000794973557 629713183 /nfs/dbraw/zinc/71/31/83/629713183.db2.gz VFHUQHAECHURDB-UHFFFAOYSA-N 0 1 270.361 2.582 20 30 CFEDMN Cc1ccc(-c2n[nH]cc2CN=Nc2cncnc2)cc1 ZINC000794976432 629714283 /nfs/dbraw/zinc/71/42/83/629714283.db2.gz KIRLZAOEKRLLFO-UHFFFAOYSA-N 0 1 278.319 2.621 20 30 CFEDMN Clc1cccc(-c2n[nH]cc2CN=Nc2cncnc2)c1 ZINC000794977000 629714356 /nfs/dbraw/zinc/71/43/56/629714356.db2.gz SQSHWMMNSVLIMN-UHFFFAOYSA-N 0 1 298.737 2.966 20 30 CFEDMN CCN(CC)c1ncc(C=[NH+][N-]c2ncccc2F)s1 ZINC000794993111 629719137 /nfs/dbraw/zinc/71/91/37/629719137.db2.gz IRRRWEXJIQVYCR-UHFFFAOYSA-N 0 1 293.371 2.969 20 30 CFEDMN C=CCNN=C(C)c1ccc([O-])c(C[NH+]2CCCCC2)c1 ZINC000794999002 629720411 /nfs/dbraw/zinc/72/04/11/629720411.db2.gz RIXOPLCHIMRDNO-UHFFFAOYSA-N 0 1 287.407 2.878 20 30 CFEDMN CCc1oc(C=NNc2cccc(F)n2)cc1C(=O)OC ZINC000795006030 629721804 /nfs/dbraw/zinc/72/18/04/629721804.db2.gz BNBMNGARGYAWJF-UHFFFAOYSA-N 0 1 291.282 2.609 20 30 CFEDMN Cc1nc(CN=Nc2cccc(F)n2)c2ccccn12 ZINC000795007021 629722911 /nfs/dbraw/zinc/72/29/11/629722911.db2.gz OIHHHLUZHJBGSP-UHFFFAOYSA-N 0 1 269.283 2.623 20 30 CFEDMN C=CCNC(=S)Nc1ccc(CN(C)C)c(Cl)c1 ZINC000795016586 629725366 /nfs/dbraw/zinc/72/53/66/629725366.db2.gz DDYZQZSZCWPMCD-UHFFFAOYSA-N 0 1 283.828 2.874 20 30 CFEDMN C=CCOCCCOC(=O)c1cc(-c2ccc(C)o2)n[nH]1 ZINC000795448276 629780491 /nfs/dbraw/zinc/78/04/91/629780491.db2.gz LPADIDKBKUULOJ-UHFFFAOYSA-N 0 1 290.319 2.728 20 30 CFEDMN C=CCC(CC=C)C(=O)OCc1nc(C(C)C)n[nH]1 ZINC000795457938 629782736 /nfs/dbraw/zinc/78/27/36/629782736.db2.gz INUFQRZXFIBCHD-UHFFFAOYSA-N 0 1 263.341 2.740 20 30 CFEDMN C=CCC(CC=C)C(=O)OCc1n[nH]c(C(C)C)n1 ZINC000795457938 629782740 /nfs/dbraw/zinc/78/27/40/629782740.db2.gz INUFQRZXFIBCHD-UHFFFAOYSA-N 0 1 263.341 2.740 20 30 CFEDMN COc1ccc([C@@H]2C[C@H]2NC[C@H](C#N)CCC#N)cc1 ZINC000795480003 629785761 /nfs/dbraw/zinc/78/57/61/629785761.db2.gz HFCGZMMDHJVBEC-VBNZEHGJSA-N 0 1 269.348 2.584 20 30 CFEDMN C[C@@H](CC(=O)[C@H](C#N)C(=O)NC1CC1)C1CCCCC1 ZINC000102120108 629815585 /nfs/dbraw/zinc/81/55/85/629815585.db2.gz SFPSZYWCJOYJDL-FZMZJTMJSA-N 0 1 276.380 2.580 20 30 CFEDMN C#C[C@@H](NCc1ccc2occc2c1)[C@@H]1CCCO1 ZINC000796350422 629907885 /nfs/dbraw/zinc/90/78/85/629907885.db2.gz BYTUMXDOWMUQPM-ZBFHGGJFSA-N 0 1 255.317 2.703 20 30 CFEDMN COc1cc(C#N)ccc1OCCN1CCC(F)(F)CC1 ZINC000796541962 629932775 /nfs/dbraw/zinc/93/27/75/629932775.db2.gz PRXPSJDUJOETQX-UHFFFAOYSA-N 0 1 296.317 2.677 20 30 CFEDMN C=CCN1CCCC[C@@H]1COC(=O)N1CCC[C@H](C)C1 ZINC000796571553 629936216 /nfs/dbraw/zinc/93/62/16/629936216.db2.gz MZCDNPTXSKGXNF-LSDHHAIUSA-N 0 1 280.412 2.895 20 30 CFEDMN N#CC(C(=O)NC1CCCCC1)C(=O)[C@@H]1CCC(F)(F)C1 ZINC000796632997 629943077 /nfs/dbraw/zinc/94/30/77/629943077.db2.gz MHXURYICTHLYIT-PWSUYJOCSA-N 0 1 298.333 2.580 20 30 CFEDMN N#C[C@H](C(=O)NC1CC1)C(=O)[C@@H]1CCC[C@@H]2CCCC[C@@H]12 ZINC000796792737 629968376 /nfs/dbraw/zinc/96/83/76/629968376.db2.gz INYJZYGXTFRKTK-MYPMTAMASA-N 0 1 288.391 2.580 20 30 CFEDMN C=CCNC(=O)C(C#N)C(=O)[C@@H]1CCC[C@H]2CCCC[C@H]21 ZINC000796796441 629969187 /nfs/dbraw/zinc/96/91/87/629969187.db2.gz DPOORFQHZZMQTJ-KBUPBQIOSA-N 0 1 288.391 2.604 20 30 CFEDMN N#C[C@@H](C(=O)Cc1coc2ccccc12)c1ccncn1 ZINC000797315167 630055080 /nfs/dbraw/zinc/05/50/80/630055080.db2.gz TVEVGCKJGJNGLU-CYBMUJFWSA-N 0 1 277.283 2.642 20 30 CFEDMN Cc1ccc2c(NNc3ncnc4[nH]cnc43)csc2c1 ZINC000797786821 630104083 /nfs/dbraw/zinc/10/40/83/630104083.db2.gz NBAHKPFOZHYNMH-UHFFFAOYSA-N 0 1 296.359 2.583 20 30 CFEDMN C#CCN1CCC(C(=O)OC[C@H](C)CC(C)C)CC1 ZINC000798617088 630215879 /nfs/dbraw/zinc/21/58/79/630215879.db2.gz WPBZMNQDCWRCJB-CQSZACIVSA-N 0 1 265.397 2.557 20 30 CFEDMN C=C(Cl)C[N@@H+]1CC[C@@H](N(C)c2ccccc2)C1 ZINC000852653775 634799666 /nfs/dbraw/zinc/79/96/66/634799666.db2.gz ANYGXYGXUCALBX-CQSZACIVSA-N 0 1 250.773 2.950 20 30 CFEDMN C=C(Cl)CN1CC[C@@H](N(C)c2ccccc2)C1 ZINC000852653775 634799675 /nfs/dbraw/zinc/79/96/75/634799675.db2.gz ANYGXYGXUCALBX-CQSZACIVSA-N 0 1 250.773 2.950 20 30 CFEDMN C=C[C@](C)(CC)C(=O)NOCc1ccccc1OC ZINC000799096296 630275158 /nfs/dbraw/zinc/27/51/58/630275158.db2.gz GUDZDRMCBNFNKR-OAHLLOKOSA-N 0 1 263.337 2.845 20 30 CFEDMN C#CCN(Cc1cnc(Cl)cn1)C1CCCCC1 ZINC000799117640 630277883 /nfs/dbraw/zinc/27/78/83/630277883.db2.gz XIKZZFJPCZFBTP-UHFFFAOYSA-N 0 1 263.772 2.898 20 30 CFEDMN COc1ccc(CNN=Cc2cc(C(F)(F)F)n[nH]2)cc1 ZINC000799477054 630312254 /nfs/dbraw/zinc/31/22/54/630312254.db2.gz FRRZVDWDLSSEMU-UHFFFAOYSA-N 0 1 298.268 2.561 20 30 CFEDMN Cc1ccc(C(=O)N[C@H](C)c2n[nH]c(C(C)C)n2)cc1C#N ZINC000799716888 630338444 /nfs/dbraw/zinc/33/84/44/630338444.db2.gz ZMQJMGASBOKMJR-LLVKDONJSA-N 0 1 297.362 2.599 20 30 CFEDMN Cc1ccc(C(=O)N[C@@H](C)c2n[nH]c(C(C)C)n2)cc1C#N ZINC000799716889 630338615 /nfs/dbraw/zinc/33/86/15/630338615.db2.gz ZMQJMGASBOKMJR-NSHDSACASA-N 0 1 297.362 2.599 20 30 CFEDMN Cc1ccc(C(=O)Nc2ncc(C(F)(F)F)[nH]2)cc1C#N ZINC000799840182 630347120 /nfs/dbraw/zinc/34/71/20/630347120.db2.gz LQIZWVQENOQDAL-UHFFFAOYSA-N 0 1 294.236 2.861 20 30 CFEDMN COc1cccc(N=NCc2cccc(OC)c2F)n1 ZINC000799884723 630351640 /nfs/dbraw/zinc/35/16/40/630351640.db2.gz RYWDUHAESQQKLJ-UHFFFAOYSA-N 0 1 275.283 2.684 20 30 CFEDMN N#CCC[C@@H](C#N)CN[C@H]1Cc2ccc(Cl)cc2C1 ZINC000799982712 630358975 /nfs/dbraw/zinc/35/89/75/630358975.db2.gz LFCCCVUFDVMQMS-NHYWBVRUSA-N 0 1 273.767 2.840 20 30 CFEDMN CC(C)OC[C@H](C)NCc1cc(C#N)ccc1F ZINC000800243797 630362041 /nfs/dbraw/zinc/36/20/41/630362041.db2.gz ZUOFXGSTBMNDSJ-NSHDSACASA-N 0 1 250.317 2.600 20 30 CFEDMN CC(C)CN(CCC#N)CC1CN(C(=O)OC(C)(C)C)C1 ZINC000800345764 630373356 /nfs/dbraw/zinc/37/33/56/630373356.db2.gz GQGMYIUERNDDTJ-UHFFFAOYSA-N 0 1 295.427 2.725 20 30 CFEDMN CCCCCNC(=O)C(C#N)C(=O)[C@@H](C)CCCC ZINC000800385371 630376060 /nfs/dbraw/zinc/37/60/60/630376060.db2.gz XNIJFKBSPCXLIC-STQMWFEESA-N 0 1 266.385 2.828 20 30 CFEDMN Cc1cc(NN=Cc2ccc(-c3cnn(C)c3)s2)ncn1 ZINC000800813136 630407818 /nfs/dbraw/zinc/40/78/18/630407818.db2.gz STRMRDRMOKHSOM-UHFFFAOYSA-N 0 1 298.375 2.693 20 30 CFEDMN CCCCCCCC(=O)OC[C@H]1CN(C(C)C)CCO1 ZINC000802133725 630505412 /nfs/dbraw/zinc/50/54/12/630505412.db2.gz GAYDSAFJAZEXFZ-OAHLLOKOSA-N 0 1 285.428 2.999 20 30 CFEDMN C#CCOc1ccccc1CN1CC[C@H](OC(F)F)C1 ZINC000802658480 630536968 /nfs/dbraw/zinc/53/69/68/630536968.db2.gz DSZHHUFJXFGLCR-ZDUSSCGKSA-N 0 1 281.302 2.512 20 30 CFEDMN CCOC1(C(=O)Nc2cc(C#N)ccc2O)CCCC1 ZINC000802890600 630560549 /nfs/dbraw/zinc/56/05/49/630560549.db2.gz DEQADFAETWDJHJ-UHFFFAOYSA-N 0 1 274.320 2.552 20 30 CFEDMN Cc1oc(C(C)C)cc1C(=O)N=C1C[C@H](C)ON1 ZINC000802933280 630567326 /nfs/dbraw/zinc/56/73/26/630567326.db2.gz SJFSXGSQQSKAHN-QMMMGPOBSA-N 0 1 250.298 2.564 20 30 CFEDMN C#CCC(C)(C)C(=O)NCCN1CC=C(C(C)(C)C)CC1 ZINC000803122133 630586246 /nfs/dbraw/zinc/58/62/46/630586246.db2.gz NOZMLOFPZQHHOX-UHFFFAOYSA-N 0 1 290.451 2.830 20 30 CFEDMN C#CCCN(CCOC)Cc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000852751070 634824885 /nfs/dbraw/zinc/82/48/85/634824885.db2.gz OGEZPRZNRNOUJC-UHFFFAOYSA-N 0 1 296.754 2.720 20 30 CFEDMN C=CCCCCCN(C)CN1C[C@H](C)[C@@H](C)C1=O ZINC000840005851 630629489 /nfs/dbraw/zinc/62/94/89/630629489.db2.gz FIDKSECXQLVRIK-UONOGXRCSA-N 0 1 252.402 2.737 20 30 CFEDMN C=CCN1CCN(CN2CC[C@H](c3ccccc3)[C@H]2C)C1=O ZINC000840023306 630659946 /nfs/dbraw/zinc/65/99/46/630659946.db2.gz PRNGBWXWNBLZOJ-WBVHZDCISA-N 0 1 299.418 2.746 20 30 CFEDMN C=CCN1CCN(CN2CC[C@H](c3ccccc3)[C@@H]2C)C1=O ZINC000840023304 630660106 /nfs/dbraw/zinc/66/01/06/630660106.db2.gz PRNGBWXWNBLZOJ-RDJZCZTQSA-N 0 1 299.418 2.746 20 30 CFEDMN CCN1C[C@@H](C)N(c2nc(Cl)c(C#N)s2)C[C@H]1C ZINC000804586580 630760738 /nfs/dbraw/zinc/76/07/38/630760738.db2.gz IRWHCZAICZYZEZ-RKDXNWHRSA-N 0 1 284.816 2.587 20 30 CFEDMN C=CCN1CCN(CN2CCC[C@@H](c3ccccc3)C2)C1=O ZINC000840077240 630839550 /nfs/dbraw/zinc/83/95/50/630839550.db2.gz QUGHGPSSLFONDY-QGZVFWFLSA-N 0 1 299.418 2.747 20 30 CFEDMN CC(C)(C)c1ncc(C(=O)Nc2cc(C#N)ccc2O)cn1 ZINC000806991408 630851958 /nfs/dbraw/zinc/85/19/58/630851958.db2.gz XAWWBUATSNSKPE-UHFFFAOYSA-N 0 1 296.330 2.604 20 30 CFEDMN C=CCC[C@H](C(=O)NO[C@H](CO)C(C)C)c1ccccc1 ZINC000836894575 630910868 /nfs/dbraw/zinc/91/08/68/630910868.db2.gz FLMWVJHSCFNEAN-JKSUJKDBSA-N 0 1 291.391 2.801 20 30 CFEDMN CC(C)(C)[C@@H]1CCC1=NNCCN1CCCCC1 ZINC000807964561 630927208 /nfs/dbraw/zinc/92/72/08/630927208.db2.gz MMOKATLQGGDQDS-CYBMUJFWSA-N 0 1 251.418 2.874 20 30 CFEDMN CC(C)n1cc(CN=Nc2cccc(F)c2F)nn1 ZINC000807973542 630928013 /nfs/dbraw/zinc/92/80/13/630928013.db2.gz FFQUNDGQRFGHDX-UHFFFAOYSA-N 0 1 265.267 2.583 20 30 CFEDMN C[C@H]1CN(C2CC2)CC1N=Nc1nccnc1C1CCC1 ZINC000807992658 630933145 /nfs/dbraw/zinc/93/31/45/630933145.db2.gz JIENZHQSPVZLDW-NSHDSACASA-N 0 1 285.395 2.626 20 30 CFEDMN C=CCONC(=O)C(C)(C)c1ccccc1Br ZINC000837049660 630946274 /nfs/dbraw/zinc/94/62/74/630946274.db2.gz MMXYABMXNHNZQW-UHFFFAOYSA-N 0 1 298.180 2.961 20 30 CFEDMN N#Cc1c2c(cn(CN3CCCCCCCC3)c1=O)CCC2 ZINC000840135263 630981016 /nfs/dbraw/zinc/98/10/16/630981016.db2.gz ZRWYCWDDYQDRJL-UHFFFAOYSA-N 0 1 299.418 2.822 20 30 CFEDMN COc1ccc2c(c1F)CC[C@@H]2NCc1ccc(C#N)cn1 ZINC000808716134 631034751 /nfs/dbraw/zinc/03/47/51/631034751.db2.gz RGODFEDRBBFXCV-HNNXBMFYSA-N 0 1 297.333 2.878 20 30 CFEDMN CN1CC[C@H](NC(=O)C#CC(C)(C)C)[C@@H]1c1ccccc1 ZINC000837501241 631049163 /nfs/dbraw/zinc/04/91/63/631049163.db2.gz LUYRNVGULFDHED-RDJZCZTQSA-N 0 1 284.403 2.598 20 30 CFEDMN C#CCN1CCC[C@H]1COC(=O)CC1(C)CCCC1 ZINC000808982737 631061384 /nfs/dbraw/zinc/06/13/84/631061384.db2.gz DBMIKCUQBDCATR-AWEZNQCLSA-N 0 1 263.381 2.598 20 30 CFEDMN CC1(CC(=O)[C@H](C#N)C(=O)NC2CCCC2)CCCC1 ZINC000808977929 631061902 /nfs/dbraw/zinc/06/19/02/631061902.db2.gz AREZCNDNMUJWBO-ZDUSSCGKSA-N 0 1 276.380 2.724 20 30 CFEDMN Cc1n[nH]c(C(C)C)c1C(=O)OCC1(C#N)CCC1 ZINC000837655886 631099067 /nfs/dbraw/zinc/09/90/67/631099067.db2.gz BIDGVFWPYWRVQD-UHFFFAOYSA-N 0 1 261.325 2.692 20 30 CFEDMN C=CCCCON=C(N)CN1[C@H](C)CCC[C@H]1C ZINC000809374297 631219107 /nfs/dbraw/zinc/21/91/07/631219107.db2.gz IFWLBTADSCOPFZ-CHWSQXEVSA-N 0 1 253.390 2.714 20 30 CFEDMN C#Cc1ccc(CN[C@H]2CCN(c3ccccc3)C2=O)cc1 ZINC000809615039 631246718 /nfs/dbraw/zinc/24/67/18/631246718.db2.gz RIXIJMVTVNYPCW-SFHVURJKSA-N 0 1 290.366 2.563 20 30 CFEDMN C#Cc1ccc(CN[C@H](CO)c2cccc(F)c2)cc1 ZINC000809619010 631247556 /nfs/dbraw/zinc/24/75/56/631247556.db2.gz UDEUONUVJMLBSD-QGZVFWFLSA-N 0 1 269.319 2.630 20 30 CFEDMN C#CCSCC[NH2+]Cc1c([O-])cc(C)cc1Cl ZINC000840901031 631257105 /nfs/dbraw/zinc/25/71/05/631257105.db2.gz WPWNXMRDLGFPQI-UHFFFAOYSA-N 0 1 269.797 2.810 20 30 CFEDMN C#Cc1ccc(CN2C[C@@H](C3CC3)O[C@@H](C)C2)cc1 ZINC000809656822 631258323 /nfs/dbraw/zinc/25/83/23/631258323.db2.gz LLZPVNOXALSEET-GUYCJALGSA-N 0 1 255.361 2.667 20 30 CFEDMN C#C[C@H](C)NCc1ccc(N2CCCCC2)c([N+](=O)[O-])c1 ZINC000809683373 631260551 /nfs/dbraw/zinc/26/05/51/631260551.db2.gz BJNAAJUJVJADKZ-ZDUSSCGKSA-N 0 1 287.363 2.696 20 30 CFEDMN N#Cc1csc(CNCCCSc2nccs2)n1 ZINC000810146736 631334602 /nfs/dbraw/zinc/33/46/02/631334602.db2.gz WAWRLTAPZFPRQZ-UHFFFAOYSA-N 0 1 296.446 2.743 20 30 CFEDMN CO[C@H](CN[C@H]1CCc2ccc(C#N)cc21)C(F)(F)F ZINC000810231494 631347690 /nfs/dbraw/zinc/34/76/90/631347690.db2.gz DBFOYQJRXPNILJ-QWHCGFSZSA-N 0 1 284.281 2.712 20 30 CFEDMN N#CC(C(=O)C1(CCF)CC1)c1nc2ccccc2[nH]1 ZINC000810519971 631379988 /nfs/dbraw/zinc/37/99/88/631379988.db2.gz OYGKMIFGIRBYJG-SNVBAGLBSA-N 0 1 271.295 2.879 20 30 CFEDMN CCCCCCCCC(=O)N1C[C@@H](C)N(CCO)C[C@H]1C ZINC000841455935 631408560 /nfs/dbraw/zinc/40/85/60/631408560.db2.gz XZWBZRXLUBOFTQ-HZPDHXFCSA-N 0 1 298.471 2.651 20 30 CFEDMN C[C@@H](OC(=O)[C@]1(F)CCN(C(C)(C)C)C1)C(C)(C)C#N ZINC000810640452 631414673 /nfs/dbraw/zinc/41/46/73/631414673.db2.gz XTVPWTYPSGPNCY-ABAIWWIYSA-N 0 1 284.375 2.680 20 30 CFEDMN COc1ccc(C(C)=NN=c2cc[nH]c(N(C)C)n2)c(C)c1 ZINC000841626238 631436277 /nfs/dbraw/zinc/43/62/77/631436277.db2.gz PEAFDSADGIBOMC-UHFFFAOYSA-N 0 1 299.378 2.696 20 30 CFEDMN C(=NNC1=N[C@@H]2CCCC[C@H]2N1)c1ccc(C2CC2)cc1 ZINC000841633002 631437449 /nfs/dbraw/zinc/43/74/49/631437449.db2.gz MKWRMOHYRLGSHW-HZPDHXFCSA-N 0 1 282.391 2.758 20 30 CFEDMN C#CCC1(OC(=O)[C@]2(F)CCN(C(C)(C)C)C2)CCC1 ZINC000810749191 631439009 /nfs/dbraw/zinc/43/90/09/631439009.db2.gz YHVXLUOAEGJMBL-INIZCTEOSA-N 0 1 281.371 2.688 20 30 CFEDMN Cc1cc(C=NNc2ncnc(Cl)c2C(C)C)no1 ZINC000841636026 631439270 /nfs/dbraw/zinc/43/92/70/631439270.db2.gz JGUZAAOYJGKGSK-UHFFFAOYSA-N 0 1 279.731 2.996 20 30 CFEDMN CN(CCC#N)c1ccc(CNCC2(C#N)CCC2)cc1 ZINC000841899890 631491644 /nfs/dbraw/zinc/49/16/44/631491644.db2.gz YOHBPRDLSFYBJP-UHFFFAOYSA-N 0 1 282.391 2.820 20 30 CFEDMN CO[C@@H](CC(C)C)C(=O)C(C#N)c1nc(C)cs1 ZINC000842281059 631578506 /nfs/dbraw/zinc/57/85/06/631578506.db2.gz IJASYDRRJUKKGJ-QWRGUYRKSA-N 0 1 266.366 2.689 20 30 CFEDMN C=CCNC(=O)C(C#N)C(=O)[C@H](CC)CC1CCCCC1 ZINC000842289292 631580109 /nfs/dbraw/zinc/58/01/09/631580109.db2.gz OYWBYWPODJJWHD-HUUCEWRRSA-N 0 1 290.407 2.994 20 30 CFEDMN C[C@H]1C(N=Nc2ncc(F)cn2)CCN1Cc1ccccc1 ZINC000811646091 631591879 /nfs/dbraw/zinc/59/18/79/631591879.db2.gz KIJIWAUSWKESBR-LBPRGKRZSA-N 0 1 299.353 2.678 20 30 CFEDMN N#C[C@H](C(=O)Cc1cccc(C2CC2)c1)c1ccncn1 ZINC000842334977 631596462 /nfs/dbraw/zinc/59/64/62/631596462.db2.gz GYUBSKPLBCLACP-HNNXBMFYSA-N 0 1 277.327 2.773 20 30 CFEDMN CCCON=C1CCN(Cc2ccc(C#N)cc2)CC1 ZINC000842558230 631663711 /nfs/dbraw/zinc/66/37/11/631663711.db2.gz VLEIVZWPEAPMGK-UHFFFAOYSA-N 0 1 271.364 2.937 20 30 CFEDMN COc1ncc(C=NNc2nccnc2C2CCC2)s1 ZINC000812229450 631671206 /nfs/dbraw/zinc/67/12/06/631671206.db2.gz JHRMYBGDSWDGIP-UHFFFAOYSA-N 0 1 289.364 2.655 20 30 CFEDMN C=CCCCN(C)CN1C[C@@H](C2CCCC2)CC1=O ZINC000842597130 631676222 /nfs/dbraw/zinc/67/62/22/631676222.db2.gz WHGPJPPRFGRILD-HNNXBMFYSA-N 0 1 264.413 2.881 20 30 CFEDMN N#Cc1ccc(CN[C@@H]2CCCc3c(O)cccc32)nc1 ZINC000812732274 631764463 /nfs/dbraw/zinc/76/44/63/631764463.db2.gz YXDBBVXOVMHUFP-MRXNPFEDSA-N 0 1 279.343 2.826 20 30 CFEDMN C#CCN(CC(=O)NC1CCC(C)CC1)C1CCCC1 ZINC000155862232 650034879 /nfs/dbraw/zinc/03/48/79/650034879.db2.gz YRVNJVKJPFUBDV-UHFFFAOYSA-N 0 1 276.424 2.559 20 30 CFEDMN C#CCCCCNC(=O)[C@@H]1CCCCN1Cc1ccccc1 ZINC000155913847 650036732 /nfs/dbraw/zinc/03/67/32/650036732.db2.gz PLCGRGGHIMSBRT-SFHVURJKSA-N 0 1 298.430 2.961 20 30 CFEDMN CO[C@@H]1COC[C@H]1/N=C/c1cc(Cl)cc(Cl)c1O ZINC000843264378 631913297 /nfs/dbraw/zinc/91/32/97/631913297.db2.gz OHSGNURGVHHREV-PQNZHKSHSA-N 0 1 290.146 2.532 20 30 CFEDMN C[C@@H]1C[C@@H](NCC2(C#N)CC2)CN(C(=O)OC(C)(C)C)C1 ZINC000843405787 631946982 /nfs/dbraw/zinc/94/69/82/631946982.db2.gz AVEFECTWDKNQJH-CHWSQXEVSA-N 0 1 293.411 2.525 20 30 CFEDMN C#CC[C@@H]1CCCN(Cc2cnnn2Cc2ccccc2)C1 ZINC000843422212 631951148 /nfs/dbraw/zinc/95/11/48/631951148.db2.gz CQBWILOHWYHLKO-MRXNPFEDSA-N 0 1 294.402 2.562 20 30 CFEDMN C(=NOCC1CC1)C1(CN2CCOCC2)CCCCC1 ZINC000814242221 632043532 /nfs/dbraw/zinc/04/35/32/632043532.db2.gz VTYGKGOYLFUSQX-UHFFFAOYSA-N 0 1 280.412 2.682 20 30 CFEDMN C#CC1CCN(C(=O)c2cc(-c3cccs3)[nH]n2)CC1 ZINC000844049148 632103677 /nfs/dbraw/zinc/10/36/77/632103677.db2.gz YFNAAIHPNFOHJY-UHFFFAOYSA-N 0 1 285.372 2.624 20 30 CFEDMN Cc1nccc(C=NNc2ccc3ccccc3n2)n1 ZINC000814697274 632110952 /nfs/dbraw/zinc/11/09/52/632110952.db2.gz HCWXYTODDUGKBY-UHFFFAOYSA-N 0 1 263.304 2.779 20 30 CFEDMN Cc1c(C=NNC(=N)N)sc2c1cccc2Cl ZINC000814796404 632125292 /nfs/dbraw/zinc/12/52/92/632125292.db2.gz BTCKCIVQPSCHKS-UHFFFAOYSA-N 0 1 266.757 2.680 20 30 CFEDMN CCCC(=NNCCN1CCCCC1)c1cccnc1 ZINC000814808338 632128950 /nfs/dbraw/zinc/12/89/50/632128950.db2.gz HROGFGOFCJCWIR-UHFFFAOYSA-N 0 1 274.412 2.661 20 30 CFEDMN Clc1ccc2c(c1)C(=NNCCN1CCCCC1)CO2 ZINC000814809034 632129881 /nfs/dbraw/zinc/12/98/81/632129881.db2.gz XKRATCMYBVAFDO-UHFFFAOYSA-N 0 1 293.798 2.512 20 30 CFEDMN Brc1ccc(NN=Cc2nccs2)nc1 ZINC000814832368 632134223 /nfs/dbraw/zinc/13/42/23/632134223.db2.gz MWRBVYYBRJCHMZ-UHFFFAOYSA-N 0 1 283.154 2.747 20 30 CFEDMN Cc1nccc(C=NNc2cccc(C(F)(F)F)n2)n1 ZINC000814853463 632138621 /nfs/dbraw/zinc/13/86/21/632138621.db2.gz OUZNLYUFXGLRIC-UHFFFAOYSA-N 0 1 281.241 2.645 20 30 CFEDMN CN(C)c1ccc(C(N)=NOCC=C(Cl)Cl)cc1 ZINC000844235345 632141807 /nfs/dbraw/zinc/14/18/07/632141807.db2.gz IWNSXCGZLWIMOB-UHFFFAOYSA-N 0 1 288.178 2.709 20 30 CFEDMN Cc1cc(Cl)cc(C=NNC2=N[C@@H]3CCCC[C@H]3N2)c1 ZINC000814885787 632149045 /nfs/dbraw/zinc/14/90/45/632149045.db2.gz JYPRZATVMILLOG-ZIAGYGMSSA-N 0 1 290.798 2.842 20 30 CFEDMN Fc1cccc(N=NCc2cccnc2Cl)n1 ZINC000814930542 632169062 /nfs/dbraw/zinc/16/90/62/632169062.db2.gz ZJCMVKDXVAKVBU-UHFFFAOYSA-N 0 1 250.664 2.715 20 30 CFEDMN CC(N=Nc1nccnc1C1CCC1)c1ccc(N)nc1 ZINC000814931852 632170349 /nfs/dbraw/zinc/17/03/49/632170349.db2.gz HGVABMWEVMXZRT-UHFFFAOYSA-N 0 1 282.351 2.557 20 30 CFEDMN C#CCON=C1CCCN(Cc2ccccc2)[C@@H]1C ZINC000814936329 632173497 /nfs/dbraw/zinc/17/34/97/632173497.db2.gz LAPFFRIOSZSRFQ-CQSZACIVSA-N 0 1 256.349 2.677 20 30 CFEDMN CCn1cc(CN=Nc2ccc(F)c(F)c2F)cn1 ZINC000814945364 632176879 /nfs/dbraw/zinc/17/68/79/632176879.db2.gz WFSNACGAHFQODM-UHFFFAOYSA-N 0 1 268.242 2.766 20 30 CFEDMN CC(C)(C)n1cc(CN=Nc2ccc(F)c(F)c2F)nn1 ZINC000814946377 632177962 /nfs/dbraw/zinc/17/79/62/632177962.db2.gz LGVFDTRWYFQEAW-UHFFFAOYSA-N 0 1 297.284 2.896 20 30 CFEDMN CC(C)CC(=O)CCN(C)C[C@@H](O)c1cccc(C#N)c1 ZINC000844368307 632181821 /nfs/dbraw/zinc/18/18/21/632181821.db2.gz JQKQMFZVUIKYMA-QGZVFWFLSA-N 0 1 288.391 2.529 20 30 CFEDMN Cn1nncc1N=NCc1ccccc1-c1ccccc1 ZINC000814982206 632184144 /nfs/dbraw/zinc/18/41/44/632184144.db2.gz QVWPEWJURXSVLY-UHFFFAOYSA-N 0 1 277.331 2.928 20 30 CFEDMN CC(N=Nc1cnnn1C)c1ccc(F)c2ccccc21 ZINC000814984215 632185219 /nfs/dbraw/zinc/18/52/19/632185219.db2.gz UHIPHYDVSMGUPS-UHFFFAOYSA-N 0 1 283.310 2.944 20 30 CFEDMN CC[C@@H]1CN(Cc2ccc(OCC#N)cc2)[C@@H](CC)CO1 ZINC000844386194 632189888 /nfs/dbraw/zinc/18/98/88/632189888.db2.gz HHUBUEDZSNPDCW-JKSUJKDBSA-N 0 1 288.391 2.978 20 30 CFEDMN CC[C@H]1COC(C)(C)CN1Cc1ccc(OCC#N)cc1 ZINC000844387858 632190636 /nfs/dbraw/zinc/19/06/36/632190636.db2.gz UVKVUSXXJWWUGC-HNNXBMFYSA-N 0 1 288.391 2.978 20 30 CFEDMN C=CCC(F)(F)C(=O)N1CCN(CCC(C)(C)C)CC1 ZINC000815083045 632198509 /nfs/dbraw/zinc/19/85/09/632198509.db2.gz NDMNGEVMDJCJIL-UHFFFAOYSA-N 0 1 288.382 2.778 20 30 CFEDMN C=CCCN1CCC[C@H]1C(=O)OCc1ccccc1 ZINC000005283043 632238564 /nfs/dbraw/zinc/23/85/64/632238564.db2.gz MULSCVKOKKCPFX-HNNXBMFYSA-N 0 1 259.349 2.770 20 30 CFEDMN CC#CCN(C)Cc1ccc(OC[C@@H]2CCCO2)cc1 ZINC000815282454 632243368 /nfs/dbraw/zinc/24/33/68/632243368.db2.gz MYMJTHSFOFRGEN-KRWDZBQOSA-N 0 1 273.376 2.700 20 30 CFEDMN COCC(CC(C)(C)C)=NNCCN1CCCCC1 ZINC000844578235 632251277 /nfs/dbraw/zinc/25/12/77/632251277.db2.gz RYSBPFFZWSAYCV-UHFFFAOYSA-N 0 1 269.433 2.501 20 30 CFEDMN C#Cc1cccc(N(C)C(=O)c2c[nH]nc2C(C)(C)C)c1 ZINC000815378118 632260811 /nfs/dbraw/zinc/26/08/11/632260811.db2.gz RQDMAERIZGSCIB-UHFFFAOYSA-N 0 1 281.359 2.965 20 30 CFEDMN C[C@]1(C#N)CCCN(C(=O)c2c(Cl)[nH]nc2C2CC2)C1 ZINC000867363420 632279734 /nfs/dbraw/zinc/27/97/34/632279734.db2.gz PYSMXXVPVNMKTI-CQSZACIVSA-N 0 1 292.770 2.706 20 30 CFEDMN C#C[C@H](N[C@@H](C)c1ccc(F)cc1C)[C@H]1CCCO1 ZINC000815617470 632298816 /nfs/dbraw/zinc/29/88/16/632298816.db2.gz OBRCVVJHJQWCQR-VBNZEHGJSA-N 0 1 261.340 2.966 20 30 CFEDMN C=CCCCC(=O)NC[C@@H]1CCN1Cc1ccccc1 ZINC000856358567 635796836 /nfs/dbraw/zinc/79/68/36/635796836.db2.gz RLRMUEMWWUTNEL-INIZCTEOSA-N 0 1 272.392 2.733 20 30 CFEDMN CCCCCCNC(=O)C(C#N)C(=O)[C@H](C)C(C)(F)F ZINC000815904873 632331138 /nfs/dbraw/zinc/33/11/38/632331138.db2.gz SEPXYNXWEZLKDF-QWRGUYRKSA-N 0 1 288.338 2.683 20 30 CFEDMN CCCCCNC(=O)C(C#N)C(=O)[C@H]1CC2CCC1CC2 ZINC000815904950 632331628 /nfs/dbraw/zinc/33/16/28/632331628.db2.gz UMRZOSVRFIDCGO-PFSRBDOWSA-N 0 1 290.407 2.828 20 30 CFEDMN CC(C)(CC(=O)C(C#N)C(=O)NCc1ccccc1)C1CC1 ZINC000815906914 632332503 /nfs/dbraw/zinc/33/25/03/632332503.db2.gz MPBPBVMURNCEIZ-HNNXBMFYSA-N 0 1 298.386 2.838 20 30 CFEDMN CCCCCNC(=O)C(C#N)C(=O)[C@H]1C[C@@H]1C1CCCC1 ZINC000845444567 632436084 /nfs/dbraw/zinc/43/60/84/632436084.db2.gz YTNIMKVLOAEYIW-QLFBSQMISA-N 0 1 290.407 2.828 20 30 CFEDMN CC[C@H](C)OCC(O)=C(C#N)C(=O)C1(c2ccccc2)CC1 ZINC000845841698 632578616 /nfs/dbraw/zinc/57/86/16/632578616.db2.gz PGVSRHLIGSPLCZ-ZFWWWQNUSA-N 0 1 299.370 2.811 20 30 CFEDMN COC(C)(C)CC(=O)C(C#N)=C(O)C1(c2ccccc2)CC1 ZINC000845844920 632579821 /nfs/dbraw/zinc/57/98/21/632579821.db2.gz KQXSIMSIJTWJBK-CQSZACIVSA-N 0 1 299.370 2.811 20 30 CFEDMN CC[C@@H]1CN(Cc2ccc(OCC#N)cc2)C[C@H](CC)O1 ZINC000817280671 632592375 /nfs/dbraw/zinc/59/23/75/632592375.db2.gz JVFQTFPHKUFPEC-IYBDPMFKSA-N 0 1 288.391 2.978 20 30 CFEDMN Cc1nc(F)ccc1CN(C)C[C@@H](O)c1cccc(C#N)c1 ZINC000846008834 632612406 /nfs/dbraw/zinc/61/24/06/632612406.db2.gz YEIOVZHCTPZRTB-MRXNPFEDSA-N 0 1 299.349 2.566 20 30 CFEDMN N#CC1(CNCc2ccc3c[nH]nc3c2)CCCC1 ZINC000846011055 632613270 /nfs/dbraw/zinc/61/32/70/632613270.db2.gz RIURMLBKPUKRHP-UHFFFAOYSA-N 0 1 254.337 2.736 20 30 CFEDMN C#C[C@@H](NCc1cccc(C2CC2)c1)[C@H]1CCCO1 ZINC000817410872 632623418 /nfs/dbraw/zinc/62/34/18/632623418.db2.gz UOOWQTBQNMIHNL-IAGOWNOFSA-N 0 1 255.361 2.834 20 30 CFEDMN C=CC[N@H+](CCCSCc1ccccc1)CC(=O)[O-] ZINC000846263177 632676611 /nfs/dbraw/zinc/67/66/11/632676611.db2.gz DSAUZEPCXVKBRH-UHFFFAOYSA-N 0 1 279.405 2.883 20 30 CFEDMN C=C(C)CONC(=O)C(C)(C)COCc1ccccc1 ZINC000846533320 632723460 /nfs/dbraw/zinc/72/34/60/632723460.db2.gz HBIUUXFNTHSKIE-UHFFFAOYSA-N 0 1 277.364 2.853 20 30 CFEDMN C=C[C@H](C)ONC(=O)[C@@H]1CCCc2sccc21 ZINC000846547696 632736520 /nfs/dbraw/zinc/73/65/20/632736520.db2.gz LUCIOAIAUDAKPZ-GXSJLCMTSA-N 0 1 251.351 2.790 20 30 CFEDMN C=C[C@@H](C)ONC(=O)[C@@H]1CC(C)(C)Oc2ccccc21 ZINC000846554291 632740772 /nfs/dbraw/zinc/74/07/72/632740772.db2.gz JVCXFMIUWLIQMV-DGCLKSJQSA-N 0 1 275.348 2.954 20 30 CFEDMN C=C[C@H](C)ONC(=O)[C@@H]1CC(C)(C)Oc2ccccc21 ZINC000846554292 632740988 /nfs/dbraw/zinc/74/09/88/632740988.db2.gz JVCXFMIUWLIQMV-WCQYABFASA-N 0 1 275.348 2.954 20 30 CFEDMN O=[N+]([O-])c1ccc(NN=C2CCn3cccc32)cc1 ZINC000818196293 632812009 /nfs/dbraw/zinc/81/20/09/632812009.db2.gz MWKAMEFPYRNZKA-UHFFFAOYSA-N 0 1 256.265 2.616 20 30 CFEDMN C#C[C@@H]1CCCN([C@@H](C)C(=O)Nc2cc(C)ccc2C)C1 ZINC000847022013 632886948 /nfs/dbraw/zinc/88/69/48/632886948.db2.gz DUPSRMVKWRWLEC-JKSUJKDBSA-N 0 1 284.403 2.976 20 30 CFEDMN C#C[C@@H]1CCCN([C@H](C)C(=O)NC[C@@H](C)c2ccccc2)C1 ZINC000847025691 632891475 /nfs/dbraw/zinc/89/14/75/632891475.db2.gz CVBFSPFCBHHYME-BRWVUGGUSA-N 0 1 298.430 2.640 20 30 CFEDMN C#C[C@@H]1CCCN([C@H](C)C(=O)N2CCCC[C@@H]2CC)C1 ZINC000847032498 632897061 /nfs/dbraw/zinc/89/70/61/632897061.db2.gz LIXWMOTVBWLWQT-OAGGEKHMSA-N 0 1 276.424 2.511 20 30 CFEDMN Cc1cc(C)cc([C@@H](O)CNCC2(C#N)CCC2)c1 ZINC000819377870 633140410 /nfs/dbraw/zinc/14/04/10/633140410.db2.gz RLWUONZZSGFVAP-HNNXBMFYSA-N 0 1 258.365 2.620 20 30 CFEDMN C=C(C)CONC(=O)c1cccc(C(F)(F)F)c1O ZINC000848245040 633222965 /nfs/dbraw/zinc/22/29/65/633222965.db2.gz RVHDQOKDCVMUMT-UHFFFAOYSA-N 0 1 275.226 2.649 20 30 CFEDMN CCC(C)(C)N1CCN(C(=O)c2ccc(C)c(C#N)c2)CC1 ZINC000848303520 633237610 /nfs/dbraw/zinc/23/76/10/633237610.db2.gz YIGGFFLOEUXQPJ-UHFFFAOYSA-N 0 1 299.418 2.813 20 30 CFEDMN O=C([O-])c1ccc(N=NC2CCC[N@H+]3CCCC[C@@H]23)cc1 ZINC000848398506 633248652 /nfs/dbraw/zinc/24/86/52/633248652.db2.gz IXZRFRHTLYMQCF-HNNXBMFYSA-N 0 1 287.363 2.801 20 30 CFEDMN CC(C)(C#N)c1ccc(C=NNCCN2CCCCC2)cc1 ZINC000848403689 633249906 /nfs/dbraw/zinc/24/99/06/633249906.db2.gz YHAMXMLXEOEFOW-UHFFFAOYSA-N 0 1 298.434 2.897 20 30 CFEDMN Fc1cccc(N=NCc2cc3n(n2)CCCC3)c1F ZINC000848405919 633250345 /nfs/dbraw/zinc/25/03/45/633250345.db2.gz DMVUCJFSQGIUEG-UHFFFAOYSA-N 0 1 276.290 2.944 20 30 CFEDMN CC1(C)C[C@@H](NN=C2CCCN3CCCC[C@H]23)CCO1 ZINC000848408962 633251010 /nfs/dbraw/zinc/25/10/10/633251010.db2.gz HSKVHPBISPSVRR-DZGCQCFKSA-N 0 1 279.428 2.538 20 30 CFEDMN C=CCCCN(C)CN1C(=O)OC[C@H]1Cc1ccccc1 ZINC000848478285 633265257 /nfs/dbraw/zinc/26/52/57/633265257.db2.gz FOJNYWVRRLNIEU-MRXNPFEDSA-N 0 1 288.391 2.905 20 30 CFEDMN C=CC[C@@H](NCc1cnc(Cl)n1C)c1ccncc1 ZINC000848537314 633281530 /nfs/dbraw/zinc/28/15/30/633281530.db2.gz DTPOHDLKXZQJCR-CYBMUJFWSA-N 0 1 276.771 2.876 20 30 CFEDMN N#C[C@@H]1CCC[C@H](NCc2noc3ccccc23)C1 ZINC000848575524 633294329 /nfs/dbraw/zinc/29/43/29/633294329.db2.gz RTVLNOIRQASASF-NEPJUHHUSA-N 0 1 255.321 3.000 20 30 CFEDMN C#C[C@H]1CCCN(Cc2cccc3c2OCCCO3)C1 ZINC000848923269 633406427 /nfs/dbraw/zinc/40/64/27/633406427.db2.gz HMFVGXVQZIRKAY-AWEZNQCLSA-N 0 1 271.360 2.693 20 30 CFEDMN C#C[C@@H]1CCCN(C/C=C/c2ccccc2[N+](=O)[O-])C1 ZINC000848924463 633407007 /nfs/dbraw/zinc/40/70/07/633407007.db2.gz SUKLMQQYYWWTPJ-VIIAAUOXSA-N 0 1 270.332 2.953 20 30 CFEDMN Cn1ncc(C2CCC2)c1/C=C/C(=O)c1ccc(O)cc1O ZINC000849246795 633590099 /nfs/dbraw/zinc/59/00/99/633590099.db2.gz LEAXTEIEAGQABW-BQYQJAHWSA-N 0 1 298.342 2.995 20 30 CFEDMN C#CC[C@@H]1CCC[N@H+]([C@@H](C(=O)[O-])c2ccccc2)C1 ZINC000849344091 633622656 /nfs/dbraw/zinc/62/26/56/633622656.db2.gz BINDFKXFSOEAMY-UKRRQHHQSA-N 0 1 257.333 2.548 20 30 CFEDMN C#CC[C@H]1CCC[N@H+](Cc2ccc(C(=O)[O-])s2)C1 ZINC000849345183 633622980 /nfs/dbraw/zinc/62/29/80/633622980.db2.gz VJFBSLMPABSWIH-NSHDSACASA-N 0 1 263.362 2.682 20 30 CFEDMN C#CC[C@H]1CCC[N@H+]([C@@H](C(=O)[O-])c2ccccc2C)C1 ZINC000849344557 633623002 /nfs/dbraw/zinc/62/30/02/633623002.db2.gz OQPJUEJQSLRJBJ-GOEBONIOSA-N 0 1 271.360 2.856 20 30 CFEDMN C#CC[C@H]1CCC[N@H+]([C@H](C(=O)[O-])c2ccccc2F)C1 ZINC000849344289 633623204 /nfs/dbraw/zinc/62/32/04/633623204.db2.gz HSZAHHPBABSKOW-WFASDCNBSA-N 0 1 275.323 2.687 20 30 CFEDMN CCCCCNC(=O)C(C#N)C(=O)[C@H]1CCCC2(CC2)C1 ZINC000850752808 634079723 /nfs/dbraw/zinc/07/97/23/634079723.db2.gz TWWLWNPMBOBQJQ-KBPBESRZSA-N 0 1 290.407 2.972 20 30 CFEDMN N#CC(C(=O)Nc1ccccc1)C(=O)[C@@H]1CCC[C@@H]2C[C@@H]21 ZINC000850760967 634081846 /nfs/dbraw/zinc/08/18/46/634081846.db2.gz YLMVSIMJJBZJSM-RZFFKMDDSA-N 0 1 282.343 2.770 20 30 CFEDMN CO[C@@H]1CC[C@@H](C(=O)[C@@H](C#N)c2nc3cccc(C)c3[nH]2)C1 ZINC000850849837 634110129 /nfs/dbraw/zinc/11/01/29/634110129.db2.gz KUXQOZHGJSWJJJ-JHJVBQTASA-N 0 1 297.358 2.863 20 30 CFEDMN C=C[C@H](CC(=O)O[C@H](C)c1nnc[nH]1)c1ccccc1 ZINC000853222506 634942219 /nfs/dbraw/zinc/94/22/19/634942219.db2.gz NLJBADSAUDOQDK-VXGBXAGGSA-N 0 1 271.320 2.769 20 30 CFEDMN Cn1c2ccccc2nc1NN=Cc1ccnn1CC1CC1 ZINC000853290868 634960039 /nfs/dbraw/zinc/96/00/39/634960039.db2.gz MVLHIIYOWSDCAA-UHFFFAOYSA-N 0 1 294.362 2.626 20 30 CFEDMN COCc1csc(C=NNc2cc(C)nc(C)n2)c1 ZINC000853290943 634960077 /nfs/dbraw/zinc/96/00/77/634960077.db2.gz PNZGWZJUKSPXTM-UHFFFAOYSA-N 0 1 276.365 2.747 20 30 CFEDMN CC(C)(C)n1nnc(C=NNc2cccc(Cl)c2F)n1 ZINC000853297215 634961376 /nfs/dbraw/zinc/96/13/76/634961376.db2.gz WFZQFOPVIUYOEJ-UHFFFAOYSA-N 0 1 296.737 2.667 20 30 CFEDMN CC1(CNN=Cc2ccnn2-c2ccncc2)CCCC1 ZINC000853349311 634979528 /nfs/dbraw/zinc/97/95/28/634979528.db2.gz XNWBRDHZYMKNCN-UHFFFAOYSA-N 0 1 283.379 2.771 20 30 CFEDMN Cc1nn(-c2ccccc2)c(N)c1C=NN1CCCC[C@H]1C ZINC000853382236 634988851 /nfs/dbraw/zinc/98/88/51/634988851.db2.gz VYMKXLQJMMBYPG-CYBMUJFWSA-N 0 1 297.406 2.971 20 30 CFEDMN Cc1nnc(NN=Cc2cc3cc(C)c(C)cc3o2)n1C ZINC000853433131 634998570 /nfs/dbraw/zinc/99/85/70/634998570.db2.gz XXMVUPWTEBGVAO-UHFFFAOYSA-N 0 1 283.335 2.933 20 30 CFEDMN C=CC[C@@H]1CCCN(CN2C(=O)[C@@H](C3CC3)[C@H]2C2CC2)C1 ZINC000853536637 635032219 /nfs/dbraw/zinc/03/22/19/635032219.db2.gz GXZZZPCHRKOZTE-XOKHGSTOSA-N 0 1 288.435 2.879 20 30 CFEDMN C[C@@]1(C#N)CCN(Cc2cc3c(cc2O)CCC3)C1 ZINC000853599310 635046383 /nfs/dbraw/zinc/04/63/83/635046383.db2.gz NXRAPPWNMXSJMX-INIZCTEOSA-N 0 1 256.349 2.616 20 30 CFEDMN CC(C)(C(=O)NOCC1(CC#N)CC1)c1ccccc1 ZINC000853663763 635066736 /nfs/dbraw/zinc/06/67/36/635066736.db2.gz BEZVUFXJWPYLBX-UHFFFAOYSA-N 0 1 272.348 2.706 20 30 CFEDMN C=CCCC(C)(C)NC(=O)NCc1cc(CC)[nH]n1 ZINC000853765925 635100005 /nfs/dbraw/zinc/10/00/05/635100005.db2.gz MPVXNNQAKIVAMW-UHFFFAOYSA-N 0 1 264.373 2.516 20 30 CFEDMN C=C1CCC(C(=O)O[C@H](C)c2n[nH]c(CC)n2)CC1 ZINC000885649782 635168344 /nfs/dbraw/zinc/16/83/44/635168344.db2.gz JUFYDXODCWXTDE-SNVBAGLBSA-N 0 1 263.341 2.718 20 30 CFEDMN Cc1ccc(O[C@H]2CCN(Cc3cccc(C#N)c3)C2)nc1 ZINC000858011627 636115364 /nfs/dbraw/zinc/11/53/64/636115364.db2.gz QDTKKOKHMFBTKN-KRWDZBQOSA-N 0 1 293.370 2.915 20 30 CFEDMN N#CCCCN1CC[C@H](Oc2ccc(C3CC3)cn2)C1 ZINC000858045049 636119218 /nfs/dbraw/zinc/11/92/18/636119218.db2.gz YKMKCDXFBYRFAG-HNNXBMFYSA-N 0 1 271.364 2.716 20 30 CFEDMN C#CC[C@H](COC)NCc1ccnc(Cl)c1Cl ZINC000858334030 636194261 /nfs/dbraw/zinc/19/42/61/636194261.db2.gz GKCPNNRHNXUNPO-SNVBAGLBSA-N 0 1 273.163 2.516 20 30 CFEDMN C#CC[C@H](COC)NCc1cnc(C2CCC2)s1 ZINC000858335460 636195612 /nfs/dbraw/zinc/19/56/12/636195612.db2.gz VNNPSYYQXKTGQR-GFCCVEGCSA-N 0 1 264.394 2.539 20 30 CFEDMN Cn1c2ccccc2nc1C(C#N)C(=O)C12CC(C1)C2 ZINC000860450182 636887192 /nfs/dbraw/zinc/88/71/92/636887192.db2.gz NWNXCJMPTGFBGQ-CSJGVYOVSA-N 0 1 265.316 2.550 20 30 CFEDMN C[C@H](CC(=O)C(C#N)C(=O)NC1CCCC1)c1ccco1 ZINC000860478277 636893193 /nfs/dbraw/zinc/89/31/93/636893193.db2.gz UISWBNMMLOYAGD-YPMHNXCESA-N 0 1 288.347 2.541 20 30 CFEDMN CC(C)(C(=O)NOC/C=C/Cl)c1ccc(C#N)cc1 ZINC000861782732 637235611 /nfs/dbraw/zinc/23/56/11/637235611.db2.gz IODQSKKZVXPYDB-FPYGCLRLSA-N 0 1 278.739 2.636 20 30 CFEDMN C=CCN1CC[C@@H](NC(=O)c2ccc(C)cc2Cl)C1 ZINC001015737354 651210773 /nfs/dbraw/zinc/21/07/73/651210773.db2.gz HHJPWTHJLIONNH-GFCCVEGCSA-N 0 1 278.783 2.639 20 30 CFEDMN CCCCCCCNC(=O)C(C)(C)c1cnc[nH]1 ZINC000862356175 637330642 /nfs/dbraw/zinc/33/06/42/637330642.db2.gz DKVAFZSOMCLXMD-UHFFFAOYSA-N 0 1 251.374 2.774 20 30 CFEDMN C#CCOc1cccc(Cl)c1CN1C[C@@H]2C[C@@H]2C1 ZINC000862444200 637383672 /nfs/dbraw/zinc/38/36/72/637383672.db2.gz ZGXRTSJYMBJSSX-TXEJJXNPSA-N 0 1 261.752 2.804 20 30 CFEDMN C#CC[C@H]1CC[N@@H+](Cc2ccc(Br)cc2[O-])C1 ZINC000862446570 637387666 /nfs/dbraw/zinc/38/76/66/637387666.db2.gz ARLDFBXZVGPZGE-NSHDSACASA-N 0 1 294.192 3.000 20 30 CFEDMN C#CC[C@H]1CC[N@H+](Cc2ccc(Br)cc2[O-])C1 ZINC000862446570 637387672 /nfs/dbraw/zinc/38/76/72/637387672.db2.gz ARLDFBXZVGPZGE-NSHDSACASA-N 0 1 294.192 3.000 20 30 CFEDMN CC(C)Oc1cc(Cl)c(C=NNC(=N)N)cc1Cl ZINC000863079571 637550548 /nfs/dbraw/zinc/55/05/48/637550548.db2.gz RJPJPXNSXRWNJH-UHFFFAOYSA-N 0 1 289.166 2.598 20 30 CFEDMN Cc1nnc(NN=C2CCc3cc(F)c(Cl)cc32)n1C ZINC000863127416 637566380 /nfs/dbraw/zinc/56/63/80/637566380.db2.gz RPWDHYDOUXHNQD-UHFFFAOYSA-N 0 1 293.733 2.678 20 30 CFEDMN Cc1nn(C(C)(C)C)c(C)c1C=NNc1ccncc1C ZINC000863157984 637571050 /nfs/dbraw/zinc/57/10/50/637571050.db2.gz YFYNEYDDZNADGA-UHFFFAOYSA-N 0 1 285.395 2.826 20 30 CFEDMN C[C@H]1CC(N=Nc2cccc(F)c2Cl)CN1C ZINC000863158499 637573276 /nfs/dbraw/zinc/57/32/76/637573276.db2.gz DNRCVGMPBKXHRT-QMMMGPOBSA-N 0 1 255.724 2.971 20 30 CFEDMN N#Cc1ccc(O)c(-c2cnn([C@@H]3CCCCO3)c2)c1 ZINC000863725772 637759988 /nfs/dbraw/zinc/75/99/88/637759988.db2.gz ASVFVIVVTFQMKK-HNNXBMFYSA-N 0 1 269.304 2.826 20 30 CFEDMN N#CC(C(=O)C[C@@H]1CCCCO1)c1nc2ccccc2[nH]1 ZINC000119839835 637855701 /nfs/dbraw/zinc/85/57/01/637855701.db2.gz CSSOBYGPLRIMKH-NWDGAFQWSA-N 0 1 283.331 2.698 20 30 CFEDMN N#CC(C(=O)Cc1c(F)cccc1F)c1ccccn1 ZINC000119959016 637929369 /nfs/dbraw/zinc/92/93/69/637929369.db2.gz UEENALRSHUKRET-LLVKDONJSA-N 0 1 272.254 2.779 20 30 CFEDMN c1ccc2nc(N=NC3CN4CCC3CC4)ccc2c1 ZINC000864372118 637954190 /nfs/dbraw/zinc/95/41/90/637954190.db2.gz HNXLOIHMAXYMDC-UHFFFAOYSA-N 0 1 266.348 2.728 20 30 CFEDMN C=CCC[C@H]([NH2+]Cc1nc(C(C)(C)C)cs1)C(=O)[O-] ZINC000864509884 638006000 /nfs/dbraw/zinc/00/60/00/638006000.db2.gz OKQUWZKDYNXDAA-JTQLQIEISA-N 0 1 282.409 2.950 20 30 CFEDMN COc1ccc(C(=O)/C=C\c2cn(C3CC3)cn2)c(O)c1 ZINC000865220550 638226188 /nfs/dbraw/zinc/22/61/88/638226188.db2.gz LXXPMWTZLJPSMX-UQCOIBPSSA-N 0 1 284.315 2.828 20 30 CFEDMN CC(C)(C)n1cc(CNc2nc3ccc(C#N)cc3[nH]2)cn1 ZINC000865295357 638261482 /nfs/dbraw/zinc/26/14/82/638261482.db2.gz FKFIWZMTPVQYOL-UHFFFAOYSA-N 0 1 294.362 2.998 20 30 CFEDMN COC1(CNc2nc3ccc(C#N)cc3[nH]2)CCCC1 ZINC000865296072 638262672 /nfs/dbraw/zinc/26/26/72/638262672.db2.gz PMGURQLKDCJGLU-UHFFFAOYSA-N 0 1 270.336 2.806 20 30 CFEDMN N#Cc1ccc2nc(NCc3cc4n(n3)CCCC4)[nH]c2c1 ZINC000865295896 638262903 /nfs/dbraw/zinc/26/29/03/638262903.db2.gz MMTMRGHVPFYJEZ-UHFFFAOYSA-N 0 1 292.346 2.579 20 30 CFEDMN Cc1nocc1CNCc1ccc(O[C@H](C)C#N)cc1 ZINC000865679072 638506801 /nfs/dbraw/zinc/50/68/01/638506801.db2.gz WZEGYOJUPMKWHC-LLVKDONJSA-N 0 1 271.320 2.564 20 30 CFEDMN C[C@H](NCc1ccc(C2(C#N)CC2)cc1)c1ccnn1C ZINC000865837407 638602386 /nfs/dbraw/zinc/60/23/86/638602386.db2.gz FJGAJPMOZQAUKO-ZDUSSCGKSA-N 0 1 280.375 2.826 20 30 CFEDMN C#CCCOc1ccc(CN[C@H](C)c2ccnn2C)cc1 ZINC000865838860 638603778 /nfs/dbraw/zinc/60/37/78/638603778.db2.gz NYZZAVGKANNEBV-CQSZACIVSA-N 0 1 283.375 2.673 20 30 CFEDMN C[C@@H]([NH2+][C@@H]1CCCc2c[nH]nc21)c1cccc(C#N)c1[O-] ZINC000866304934 638793389 /nfs/dbraw/zinc/79/33/89/638793389.db2.gz BTZRTLRYOKFASX-QMTHXVAHSA-N 0 1 282.347 2.715 20 30 CFEDMN C[C@@H](N[C@H](C)C(F)(F)F)c1cccc(C#N)c1O ZINC000866358536 638803623 /nfs/dbraw/zinc/80/36/23/638803623.db2.gz JKWLUMXOFNUNGW-HTQZYQBOSA-N 0 1 258.243 2.865 20 30 CFEDMN C[C@@H](N[C@@H](C)c1ccc(C#N)c(F)c1)c1ccnn1C ZINC000866615249 638855135 /nfs/dbraw/zinc/85/51/35/638855135.db2.gz SLHXTMUHUDUQMY-WDEREUQCSA-N 0 1 272.327 2.843 20 30 CFEDMN C[C@@H]1CCC[C@H](C)N1C(=O)[C@H]1NCCc2cc(C#N)ccc21 ZINC000867949379 638908255 /nfs/dbraw/zinc/90/82/55/638908255.db2.gz XBMGIXBZEYBZQD-AHIWAGSCSA-N 0 1 297.402 2.535 20 30 CFEDMN C=CCCCCCNC(=O)[C@@H]1NCCc2cc(C#N)ccc21 ZINC000867983161 638910888 /nfs/dbraw/zinc/91/08/88/638910888.db2.gz LXFLYOCBYMHGBK-QGZVFWFLSA-N 0 1 297.402 2.608 20 30 CFEDMN CC[C@H](CC(=O)C(C#N)C(=O)N1CCCC1)C(C)(C)C ZINC000870132410 639526494 /nfs/dbraw/zinc/52/64/94/639526494.db2.gz GHQPYCVVRGYMDZ-OLZOCXBDSA-N 0 1 278.396 2.780 20 30 CFEDMN Cc1cc(C(C#N)C(=O)[C@@H]2C[C@H]2C(C)(C)C)nc(C)n1 ZINC000870134979 639527920 /nfs/dbraw/zinc/52/79/20/639527920.db2.gz QNBFBPDRKGANJO-FRRDWIJNSA-N 0 1 271.364 2.952 20 30 CFEDMN CC[C@H](C)CC[C@H](O)CC(=O)NOc1cccc(C#N)c1 ZINC000870689770 639772522 /nfs/dbraw/zinc/77/25/22/639772522.db2.gz BEYOKIZXLXKDGZ-JSGCOSHPSA-N 0 1 290.363 2.546 20 30 CFEDMN CSC1(C(=O)Nc2nc3ccc(C#N)cc3[nH]2)CCC1 ZINC000871071572 641184821 /nfs/dbraw/zinc/18/48/21/641184821.db2.gz CVXZEWQZJLYXRD-UHFFFAOYSA-N 0 1 286.360 2.659 20 30 CFEDMN N#Cc1ccc2nc(NC(=O)C3(C(F)(F)F)CC3)[nH]c2c1 ZINC000871070261 641185418 /nfs/dbraw/zinc/18/54/18/641185418.db2.gz IKEAKZWWRSRQMC-UHFFFAOYSA-N 0 1 294.236 2.716 20 30 CFEDMN N#Cc1ccc2nc(NC(=O)[C@H]3CCC(F)(F)C3)[nH]c2c1 ZINC000871073380 641187870 /nfs/dbraw/zinc/18/78/70/641187870.db2.gz ZKDXBLWNFYDGDR-VIFPVBQESA-N 0 1 290.273 2.808 20 30 CFEDMN N#Cc1ccc2nc(NC(=O)C(C3CC3)C3CC3)[nH]c2c1 ZINC000871073313 641187895 /nfs/dbraw/zinc/18/78/95/641187895.db2.gz XNNKUNNYQXGQMK-UHFFFAOYSA-N 0 1 280.331 2.809 20 30 CFEDMN C[C@@H]1CC[C@H](CCC(=O)Nc2nc3ccc(C#N)cc3[nH]2)O1 ZINC000871073378 641188300 /nfs/dbraw/zinc/18/83/00/641188300.db2.gz ZIUXQSBQTBMFLZ-ZYHUDNBSSA-N 0 1 298.346 2.721 20 30 CFEDMN CO[C@H]1C[C@@H](Cn2[nH]c(C(C)(C)C)c(CCC#N)c2=O)C1 ZINC000871736777 641431193 /nfs/dbraw/zinc/43/11/93/641431193.db2.gz YZFPPCKYPSNKHK-TXEJJXNPSA-N 0 1 291.395 2.767 20 30 CFEDMN CC(C)(c1nc(C2(N)CCCC2)no1)c1ccc(C#N)cc1 ZINC000871786978 641456476 /nfs/dbraw/zinc/45/64/76/641456476.db2.gz NVEBISCPBDQQDV-UHFFFAOYSA-N 0 1 296.374 2.995 20 30 CFEDMN CC[C@@H](NC[C@H](O)c1ccc(C#N)cc1)c1nccs1 ZINC000080304386 650661869 /nfs/dbraw/zinc/66/18/69/650661869.db2.gz CKAYIAKWICQGOF-KGLIPLIRSA-N 0 1 287.388 2.789 20 30 CFEDMN CCC[C@@H]1C(C)=NN(c2cc(C#N)cc(Cl)n2)C1=O ZINC000871955845 641529075 /nfs/dbraw/zinc/52/90/75/641529075.db2.gz ZHTKKWRJDUEZAC-SNVBAGLBSA-N 0 1 276.727 2.745 20 30 CFEDMN C#CC[C@H]1CCC[N@H+]([C@H](C(=O)[O-])c2cccc(OC)c2)C1 ZINC000872160136 641680885 /nfs/dbraw/zinc/68/08/85/641680885.db2.gz BFRQPHDPJGBZCI-BBRMVZONSA-N 0 1 287.359 2.556 20 30 CFEDMN N#CCC[C@@H](C#N)CN1CCC[C@H](OC2CCC2)CC1 ZINC000872274752 641733886 /nfs/dbraw/zinc/73/38/86/641733886.db2.gz BLCOXMSLPMJJQT-HOCLYGCPSA-N 0 1 275.396 2.854 20 30 CFEDMN Oc1ccccc1/C=N/C1CCN(Cc2ccncc2)CC1 ZINC000193676420 650684378 /nfs/dbraw/zinc/68/43/78/650684378.db2.gz NDMWWHYQOFGUNM-DEDYPNTBSA-N 0 1 295.386 2.871 20 30 CFEDMN C[C@@H]1CN=C(NN=C2CC(C)(C)Sc3ccccc32)N1 ZINC000872364500 641770202 /nfs/dbraw/zinc/77/02/02/641770202.db2.gz MLTUNCGOKPEVNX-SNVBAGLBSA-N 0 1 288.420 2.602 20 30 CFEDMN Cc1cccnc1NN=C1CCCc2ncccc21 ZINC000872368412 641774380 /nfs/dbraw/zinc/77/43/80/641774380.db2.gz IBVATVAKBQQDEG-UHFFFAOYSA-N 0 1 252.321 2.938 20 30 CFEDMN CC(C)c1c(Cl)ncnc1N=NC1CCN(C)[C@H]1C ZINC000872371174 641776724 /nfs/dbraw/zinc/77/67/24/641776724.db2.gz IESYVIPFSNPWFB-VIFPVBQESA-N 0 1 281.791 2.745 20 30 CFEDMN CCCn1cc(CN=Nc2ccc(F)c(F)c2F)nn1 ZINC000872379061 641782290 /nfs/dbraw/zinc/78/22/90/641782290.db2.gz WDZFICJCIVYOPA-UHFFFAOYSA-N 0 1 283.257 2.551 20 30 CFEDMN CSc1nnc(SC)n1N=CC1(C(C)C)CC1 ZINC000872418658 641803397 /nfs/dbraw/zinc/80/33/97/641803397.db2.gz YQSBTFFKABRMFP-UHFFFAOYSA-N 0 1 270.427 2.992 20 30 CFEDMN C=CCCCN(C)CN1C[C@@](C)(c2ccccc2F)C1=O ZINC000872580234 641864097 /nfs/dbraw/zinc/86/40/97/641864097.db2.gz PVIZYDACCRWHAX-KRWDZBQOSA-N 0 1 290.382 2.781 20 30 CFEDMN C=C[C@@H](C)NC(=O)N1CCC[C@@H](c2cc(C(C)C)[nH]n2)C1 ZINC000872934776 641967049 /nfs/dbraw/zinc/96/70/49/641967049.db2.gz FZNUVJRTXFFNMW-CHWSQXEVSA-N 0 1 290.411 2.997 20 30 CFEDMN C=CCCOCCNCc1c(F)cccc1OCC ZINC000873097585 642012245 /nfs/dbraw/zinc/01/22/45/642012245.db2.gz DFSKFUCNULGMPH-UHFFFAOYSA-N 0 1 267.344 2.907 20 30 CFEDMN CCC[C@@H](CC)C(=O)C(C#N)C(=O)NC1CCCCC1 ZINC000873498768 642223966 /nfs/dbraw/zinc/22/39/66/642223966.db2.gz YBPVERMJGSBHKP-TZMCWYRMSA-N 0 1 278.396 2.970 20 30 CFEDMN C#CC[N@H+](C)Cc1ccc(F)c(Br)c1 ZINC000194969068 650734390 /nfs/dbraw/zinc/73/43/90/650734390.db2.gz AFUGYSRQWXNGJS-UHFFFAOYSA-N 0 1 256.118 2.653 20 30 CFEDMN C#CCN(C)Cc1ccc(F)c(Br)c1 ZINC000194969068 650734393 /nfs/dbraw/zinc/73/43/93/650734393.db2.gz AFUGYSRQWXNGJS-UHFFFAOYSA-N 0 1 256.118 2.653 20 30 CFEDMN CC(C)C[C@H](C(=O)[O-])[N@@H+](C)CCc1cccc(C#N)c1 ZINC000873643457 642285381 /nfs/dbraw/zinc/28/53/81/642285381.db2.gz IJPMQRJMESQQPJ-OAHLLOKOSA-N 0 1 274.364 2.532 20 30 CFEDMN C=CCN(C(=O)CN(C)CCc1ccccc1)C(C)C ZINC000874352108 642371694 /nfs/dbraw/zinc/37/16/94/642371694.db2.gz ROMWFZBMLKMBEW-UHFFFAOYSA-N 0 1 274.408 2.584 20 30 CFEDMN C#C[C@H]1CC[C@H](NC(=O)c2sccc2CN(C)C)CC1 ZINC000874863867 642535047 /nfs/dbraw/zinc/53/50/47/642535047.db2.gz KPEGNHRGKMHAKH-MQMHXKEQSA-N 0 1 290.432 2.732 20 30 CFEDMN CC(C)CN(CCC#N)Cc1cccn(C(F)F)c1=O ZINC000876528878 642905766 /nfs/dbraw/zinc/90/57/66/642905766.db2.gz BAWMZQNCHOYTFY-UHFFFAOYSA-N 0 1 283.322 2.615 20 30 CFEDMN C#CCN(Cc1ccc(Cl)nn1)C1CCCCC1 ZINC000876642717 642955231 /nfs/dbraw/zinc/95/52/31/642955231.db2.gz KJKOATRPBKRWOF-UHFFFAOYSA-N 0 1 263.772 2.898 20 30 CFEDMN C=C(Cl)CNC(=O)[C@H](N)c1ccc(C(F)(F)F)cc1 ZINC000876669251 642965372 /nfs/dbraw/zinc/96/53/72/642965372.db2.gz GRNNXCBBYUZBDN-SNVBAGLBSA-N 0 1 292.688 2.574 20 30 CFEDMN C=C(Cl)C[C@@H](N)C(=O)Nc1cccc(C(=O)CC)c1 ZINC000876875585 643045202 /nfs/dbraw/zinc/04/52/02/643045202.db2.gz WOMDPEJYXVBHBP-GFCCVEGCSA-N 0 1 280.755 2.688 20 30 CFEDMN C=C(Br)CNC[C@H](Cc1ccccc1)OC ZINC000877020526 643106934 /nfs/dbraw/zinc/10/69/34/643106934.db2.gz WQLDYVKCTGZSEA-ZDUSSCGKSA-N 0 1 284.197 2.742 20 30 CFEDMN N#Cc1ccc(F)c(CNC[C@H]2CC2(Cl)Cl)c1 ZINC000877068416 643133242 /nfs/dbraw/zinc/13/32/42/643133242.db2.gz QZMIHBVMDYBLAW-SNVBAGLBSA-N 0 1 273.138 2.981 20 30 CFEDMN N#CC(C(=O)Cc1ccc(F)cc1F)c1ccccn1 ZINC000088803664 650820865 /nfs/dbraw/zinc/82/08/65/650820865.db2.gz FLLYVBNGJJPGHC-LBPRGKRZSA-N 0 1 272.254 2.779 20 30 CFEDMN C=CCCN(C)Cc1cnc(NC(=O)OC(C)(C)C)cn1 ZINC000877465419 643285939 /nfs/dbraw/zinc/28/59/39/643285939.db2.gz UBHUHKBLGHRQFS-UHFFFAOYSA-N 0 1 292.383 2.832 20 30 CFEDMN CO[C@H]1CCCC[C@@H]1NCc1cc(C#N)cnc1Cl ZINC000877498187 643309910 /nfs/dbraw/zinc/30/99/10/643309910.db2.gz NDPJSIJQDTTXKB-STQMWFEESA-N 0 1 279.771 2.654 20 30 CFEDMN C[C@H](CO)N(Cc1cc(C#N)cnc1Cl)CC1CCC1 ZINC000877505294 643316063 /nfs/dbraw/zinc/31/60/63/643316063.db2.gz BZMVGCWQYKBGQU-LLVKDONJSA-N 0 1 293.798 2.590 20 30 CFEDMN C#C[C@@H](NCc1nc2ccccc2nc1C)C(C)C ZINC000877513550 643320108 /nfs/dbraw/zinc/32/01/08/643320108.db2.gz YIZVVRLAFLSGKN-CYBMUJFWSA-N 0 1 253.349 2.686 20 30 CFEDMN C#C[C@H](CC)NCc1cc(OC)c(OC)cc1Cl ZINC000877513581 643320131 /nfs/dbraw/zinc/32/01/31/643320131.db2.gz YSFDLGWQGKOQCF-LLVKDONJSA-N 0 1 267.756 2.859 20 30 CFEDMN N#Cc1cccc(CNc2cc3c(cn2)CCCC3)n1 ZINC000877543889 643345155 /nfs/dbraw/zinc/34/51/55/643345155.db2.gz JLGLJAJLAAYVNT-UHFFFAOYSA-N 0 1 264.332 2.839 20 30 CFEDMN CC(C)(C)Oc1cccc(CN2CC[C@](O)(CC#N)C2)c1 ZINC000877605321 643393145 /nfs/dbraw/zinc/39/31/45/643393145.db2.gz AHNNYHXNCGOFBN-QGZVFWFLSA-N 0 1 288.391 2.714 20 30 CFEDMN CN(C)c1ccc(C#N)cc1C[N@H+]1CC[C@]2(CC2(F)F)C1 ZINC000877617428 643403333 /nfs/dbraw/zinc/40/33/33/643403333.db2.gz WETHTMNBAMMMQO-HNNXBMFYSA-N 0 1 291.345 2.855 20 30 CFEDMN C#C[C@H]1CCC[N@H+](Cc2ccccc2OCCCCO)C1 ZINC000877617515 643404136 /nfs/dbraw/zinc/40/41/36/643404136.db2.gz QBUSWPLTYAVPIB-INIZCTEOSA-N 0 1 287.403 2.683 20 30 CFEDMN C[C@H]1O[C@@H](C)[C@H](C)[C@@H]1NCc1cc(C#N)cnc1Cl ZINC000877656242 643435820 /nfs/dbraw/zinc/43/58/20/643435820.db2.gz BGXJQLSPCSGOKP-XHSYRHOGSA-N 0 1 279.771 2.508 20 30 CFEDMN COC(=O)c1ccc(CN(C)CCc2cccc(C#N)c2)o1 ZINC000877704437 643471297 /nfs/dbraw/zinc/47/12/97/643471297.db2.gz OSSOWJDAQOBHNA-UHFFFAOYSA-N 0 1 298.342 2.612 20 30 CFEDMN CC(C)(O)C1CCN(Cc2ccc(C#N)s2)CC1 ZINC000877753496 643532973 /nfs/dbraw/zinc/53/29/73/643532973.db2.gz FFPCSQNBXIPMNN-UHFFFAOYSA-N 0 1 264.394 2.603 20 30 CFEDMN CC(C)(O)C1CCN(Cc2cc(C#N)cs2)CC1 ZINC000877754077 643533057 /nfs/dbraw/zinc/53/30/57/643533057.db2.gz VBJRILQCYYLPGR-UHFFFAOYSA-N 0 1 264.394 2.603 20 30 CFEDMN N#Cc1ccc2c(c1)C[C@@H](NCc1nc(Cl)cs1)C2 ZINC000877766423 643545837 /nfs/dbraw/zinc/54/58/37/643545837.db2.gz BDEVGFRSAVLXIK-LBPRGKRZSA-N 0 1 289.791 2.925 20 30 CFEDMN C=CC[C@H](C)N1CCN(C(=O)c2ccc(C)c(F)c2)CC1 ZINC000877975914 643674546 /nfs/dbraw/zinc/67/45/46/643674546.db2.gz MHVCGQZTHSSDFT-AWEZNQCLSA-N 0 1 290.382 2.857 20 30 CFEDMN C=CC[C@H](C(=O)OC)N1CC[C@H](c2ccccc2)C1 ZINC000878014114 643692949 /nfs/dbraw/zinc/69/29/49/643692949.db2.gz IBKQBXDVBBLCTH-LSDHHAIUSA-N 0 1 259.349 2.594 20 30 CFEDMN CC(C)CN(CCC#N)C[C@H]1CCC2(CCOCC2)O1 ZINC000878121303 643747151 /nfs/dbraw/zinc/74/71/51/643747151.db2.gz KEFLMFDWWNEVPE-OAHLLOKOSA-N 0 1 280.412 2.586 20 30 CFEDMN C#CCCCCCN1CCN([C@@H](C)C(F)(F)F)CC1 ZINC000878168063 643775191 /nfs/dbraw/zinc/77/51/91/643775191.db2.gz OLKOVTYTOBWGKV-ZDUSSCGKSA-N 0 1 276.346 2.748 20 30 CFEDMN C#CCCCCCN1CCC[C@H]1C(=O)OC(C)C ZINC000878250706 643808601 /nfs/dbraw/zinc/80/86/01/643808601.db2.gz NSWWEWUJRDFZHW-AWEZNQCLSA-N 0 1 251.370 2.596 20 30 CFEDMN CCN(C)C(=O)OC[C@@H]1CCCCN1CC1(CC#N)CC1 ZINC000878615849 643959798 /nfs/dbraw/zinc/95/97/98/643959798.db2.gz QLJQWVDEBRQPKB-AWEZNQCLSA-N 0 1 293.411 2.623 20 30 CFEDMN CCOC(=O)[C@@H]1CC[C@H](C)N(Cc2ccc(C#N)o2)[C@@H]1C ZINC000878754183 644014646 /nfs/dbraw/zinc/01/46/46/644014646.db2.gz IYAFXLIUJNYSGC-YWPYICTPSA-N 0 1 290.363 2.703 20 30 CFEDMN C#C[C@H]1CCCN(CC[C@@](C#N)(C(C)=O)c2ccccc2)C1 ZINC000878843981 644047745 /nfs/dbraw/zinc/04/77/45/644047745.db2.gz OGPLVKPHOQDQPT-PKOBYXMFSA-N 0 1 294.398 2.772 20 30 CFEDMN C=CC[C@@H]1CCCN(CCCS(=O)(=O)C(C)(C)C)C1 ZINC000878915045 644073513 /nfs/dbraw/zinc/07/35/13/644073513.db2.gz PCYGBLAQRGSXHB-CQSZACIVSA-N 0 1 287.469 2.878 20 30 CFEDMN C=CC[C@@H]1CCCN(CC(=O)Nc2ncccc2C)C1 ZINC000878914969 644073624 /nfs/dbraw/zinc/07/36/24/644073624.db2.gz MYUPPKFIEMBRRF-CQSZACIVSA-N 0 1 273.380 2.617 20 30 CFEDMN C[C@@H]1C[C@@H](NC(=O)OC(C)(C)C)C[N@H+]1CC1(CC#N)CC1 ZINC000879222268 644180733 /nfs/dbraw/zinc/18/07/33/644180733.db2.gz HHVHJRXSLKVXQV-CHWSQXEVSA-N 0 1 293.411 2.668 20 30 CFEDMN C[C@@H]1C[C@@H](NC(=O)OC(C)(C)C)CN1CC1(CC#N)CC1 ZINC000879222268 644180737 /nfs/dbraw/zinc/18/07/37/644180737.db2.gz HHVHJRXSLKVXQV-CHWSQXEVSA-N 0 1 293.411 2.668 20 30 CFEDMN CCCCCC[C@H](O)CN(C)[C@@H]1CCC[C@H]1C#N ZINC000879309378 644217043 /nfs/dbraw/zinc/21/70/43/644217043.db2.gz MQENZSQQGBLHNC-SOUVJXGZSA-N 0 1 252.402 2.942 20 30 CFEDMN CN(CCCN(C)[C@H]1CCC[C@@H]1C#N)C(=O)OC(C)(C)C ZINC000879309152 644217348 /nfs/dbraw/zinc/21/73/48/644217348.db2.gz KRACMRITNYUWQA-KGLIPLIRSA-N 0 1 295.427 2.867 20 30 CFEDMN C=CCN(CC=C)C(=O)CN[C@@H](C)c1cc2cnccc2o1 ZINC000879711568 644393128 /nfs/dbraw/zinc/39/31/28/644393128.db2.gz HXKCRQYEHOEHLI-ZDUSSCGKSA-N 0 1 299.374 2.679 20 30 CFEDMN CC#CCC[N@H+]1CCC[C@H]2[C@@H]1CCN2C(=O)OC(C)(C)C ZINC000879755998 644413067 /nfs/dbraw/zinc/41/30/67/644413067.db2.gz YHFWEQDPJFFHTK-GJZGRUSLSA-N 0 1 292.423 2.874 20 30 CFEDMN C#CCONC(=O)[C@H](CCCC=C)c1ccccc1 ZINC000880079318 644525049 /nfs/dbraw/zinc/52/50/49/644525049.db2.gz NRCVEKYHLUSZKK-OAHLLOKOSA-N 0 1 257.333 2.808 20 30 CFEDMN C=CC(C)(C)CC(=O)NC[C@@H](c1nc[nH]n1)c1ccccc1 ZINC000880229251 644591101 /nfs/dbraw/zinc/59/11/01/644591101.db2.gz UAKNHRBYENAZBJ-CQSZACIVSA-N 0 1 298.390 2.655 20 30 CFEDMN C[C@H](c1ccccc1)N1CCN(C[C@H](C#N)CCC#N)CC1 ZINC000880249921 644612092 /nfs/dbraw/zinc/61/20/92/644612092.db2.gz YUSGZRDEPWLZDI-SJORKVTESA-N 0 1 296.418 2.809 20 30 CFEDMN C[C@@H](c1ccccc1)N1CCN(C[C@@H](C#N)CCC#N)CC1 ZINC000880249918 644612782 /nfs/dbraw/zinc/61/27/82/644612782.db2.gz YUSGZRDEPWLZDI-DLBZAZTESA-N 0 1 296.418 2.809 20 30 CFEDMN N#CCN1CCC[C@@H](c2cc(-c3ccccc3)[nH]n2)C1 ZINC000880275228 644623354 /nfs/dbraw/zinc/62/33/54/644623354.db2.gz LXJIAZQOOZBKSC-CQSZACIVSA-N 0 1 266.348 2.780 20 30 CFEDMN N#Cc1ccc(CN2CC[C@@H](c3nccs3)C2)o1 ZINC000880322989 644655014 /nfs/dbraw/zinc/65/50/14/644655014.db2.gz MMRZDWJPERPGQV-SNVBAGLBSA-N 0 1 259.334 2.597 20 30 CFEDMN C[C@@]1(c2ccccc2)CCCN1CC(=O)NC1(C#N)CCC1 ZINC000880371657 644673763 /nfs/dbraw/zinc/67/37/63/644673763.db2.gz NCVGVFDEIPDXPS-KRWDZBQOSA-N 0 1 297.402 2.560 20 30 CFEDMN C#CCC1(O)CCN([C@H](C)c2ccc(F)c(F)c2)CC1 ZINC000880479187 644729371 /nfs/dbraw/zinc/72/93/71/644729371.db2.gz LSNJABSHKIUZEG-GFCCVEGCSA-N 0 1 279.330 2.876 20 30 CFEDMN C#CCC1(O)CCN([C@H](C)c2cccc([N+](=O)[O-])c2)CC1 ZINC000880478119 644729556 /nfs/dbraw/zinc/72/95/56/644729556.db2.gz ULIVBQOMMKHPTE-CYBMUJFWSA-N 0 1 288.347 2.506 20 30 CFEDMN C#CCC1(O)CCN(Cc2ccc(C)cc2Cl)CC1 ZINC000880484023 644732438 /nfs/dbraw/zinc/73/24/38/644732438.db2.gz OHIBAQJVTZDOPO-UHFFFAOYSA-N 0 1 277.795 2.999 20 30 CFEDMN N#Cc1ccc2nc(NC(=O)C[C@@H]3C[C@H]3C3CC3)[nH]c2c1 ZINC000881363964 644961512 /nfs/dbraw/zinc/96/15/12/644961512.db2.gz VTTYKBNAJJKRFR-RYUDHWBXSA-N 0 1 280.331 2.809 20 30 CFEDMN C=C(Br)CN(CCCO)CC(C)(C)C ZINC000303977388 651010321 /nfs/dbraw/zinc/01/03/21/651010321.db2.gz CUJXBNJPSFBOHD-UHFFFAOYSA-N 0 1 264.207 2.626 20 30 CFEDMN C#CCSCCN[C@H](C)c1nc(C)sc1C ZINC000129997836 645439725 /nfs/dbraw/zinc/43/97/25/645439725.db2.gz KQLUOUYDAGDWKV-SECBINFHSA-N 0 1 254.424 2.777 20 30 CFEDMN C#CC[C@H](CO)NCc1cc(C(F)(F)F)ccc1Cl ZINC000883123672 645611741 /nfs/dbraw/zinc/61/17/41/645611741.db2.gz HBEKHXJSFJBMMI-LLVKDONJSA-N 0 1 291.700 2.833 20 30 CFEDMN C#CC[C@@H](CO)NCc1ccc(Oc2ccccc2)o1 ZINC000883124256 645614045 /nfs/dbraw/zinc/61/40/45/645614045.db2.gz BRTQLPAENHJXQH-ZDUSSCGKSA-N 0 1 271.316 2.546 20 30 CFEDMN C=CCC[C@@H](NCc1nnc(CC)s1)[C@@H]1CCCO1 ZINC000883223738 645675055 /nfs/dbraw/zinc/67/50/55/645675055.db2.gz WBVIZIFCOKKJSA-NEPJUHHUSA-N 0 1 281.425 2.704 20 30 CFEDMN C=CCC[C@H](NCc1ccn(CC)n1)[C@@H]1CCCO1 ZINC000883228752 645678510 /nfs/dbraw/zinc/67/85/10/645678510.db2.gz SXUWDCDFAWSELJ-GJZGRUSLSA-N 0 1 263.385 2.506 20 30 CFEDMN C=CCC[C@@H](NCc1ncccn1)[C@H]1Cc2ccccc2O1 ZINC000883235506 645684271 /nfs/dbraw/zinc/68/42/71/645684271.db2.gz FDLYKDDAOFWAAU-NVXWUHKLSA-N 0 1 295.386 2.905 20 30 CFEDMN C#CC1(NCc2ccc(-c3cc[nH]n3)o2)CCCC1 ZINC000883362619 645769306 /nfs/dbraw/zinc/76/93/06/645769306.db2.gz IYTMQLYRBCZCBB-UHFFFAOYSA-N 0 1 255.321 2.705 20 30 CFEDMN C=C(C)C[C@@H](CO)N[C@@H](C)c1nc(C)sc1C ZINC000883390140 645788517 /nfs/dbraw/zinc/78/85/17/645788517.db2.gz GMZZJZIWKDMGIH-CABZTGNLSA-N 0 1 254.399 2.738 20 30 CFEDMN C=C(C)C[C@@H](CO)N[C@H](C)c1nc2c(s1)CCCC2 ZINC000883390721 645789477 /nfs/dbraw/zinc/78/94/77/645789477.db2.gz SCNRIEQPFGHHIR-NEPJUHHUSA-N 0 1 280.437 3.000 20 30 CFEDMN C=C(C)C[C@@H](CO)NCc1csc(C(C)(C)C)n1 ZINC000883401555 645798618 /nfs/dbraw/zinc/79/86/18/645798618.db2.gz QBUMFMKMDHMVBM-NSHDSACASA-N 0 1 268.426 2.857 20 30 CFEDMN CC1(C)CCC(C(=O)C(C#N)C(=O)Nc2ccccn2)CC1 ZINC000132052847 645871057 /nfs/dbraw/zinc/87/10/57/645871057.db2.gz VSNBZSRMQPSZKK-CYBMUJFWSA-N 0 1 299.374 2.945 20 30 CFEDMN C[C@@H](C(=O)OCc1ccc(C#N)cc1)N1CCCCCC1 ZINC000132597535 645938104 /nfs/dbraw/zinc/93/81/04/645938104.db2.gz KFUCQDXRDUYAOP-AWEZNQCLSA-N 0 1 286.375 2.866 20 30 CFEDMN Cc1nc(-c2ccc(C3(C#N)CC3)cc2)nc2nc[nH]c21 ZINC001243419913 782189467 /nfs/dbraw/zinc/18/94/67/782189467.db2.gz HVDIDUHLVAGEJW-UHFFFAOYSA-N 0 1 275.315 2.835 20 30 CFEDMN C=CC(C)(C)CC(=O)N1CCNC[C@@H]1c1ccccc1 ZINC000884341005 646313862 /nfs/dbraw/zinc/31/38/62/646313862.db2.gz RBKUEEQCCAWCPL-OAHLLOKOSA-N 0 1 272.392 2.762 20 30 CFEDMN CC(=NNc1nccn1C)c1c(C)cc(O)cc1C ZINC000884458318 646369302 /nfs/dbraw/zinc/36/93/02/646369302.db2.gz BMWJLMTWNQEFFI-UHFFFAOYSA-N 0 1 258.325 2.579 20 30 CFEDMN COCc1c(C)cc(C)c(C=NNc2cncnc2)c1C ZINC000884464552 646372671 /nfs/dbraw/zinc/37/26/71/646372671.db2.gz ULDWORNZQMYXFV-UHFFFAOYSA-N 0 1 284.363 2.994 20 30 CFEDMN Cc1[nH]nc(CN=Nc2nccnc2C2CCC2)c1C ZINC000884468550 646374681 /nfs/dbraw/zinc/37/46/81/646374681.db2.gz GJFGBWXLIDSFPV-UHFFFAOYSA-N 0 1 270.340 2.530 20 30 CFEDMN CC[C@H](C#N)Oc1cccc(CNCc2[nH]nc(C)c2C)c1 ZINC000885985724 646796910 /nfs/dbraw/zinc/79/69/10/646796910.db2.gz PEMAYUHRIMQWNL-OAHLLOKOSA-N 0 1 298.390 2.997 20 30 CFEDMN C=CC[C@@H](NCc1[nH]nc(C)c1C)c1ccncc1 ZINC000885988413 646797777 /nfs/dbraw/zinc/79/77/77/646797777.db2.gz IMBAEQNFUAPWLW-CQSZACIVSA-N 0 1 256.353 2.829 20 30 CFEDMN Cc1cnc([C@H](C)NC[C@@H](O)CC2(C#N)CCC2)s1 ZINC000886131628 646887439 /nfs/dbraw/zinc/88/74/39/646887439.db2.gz CIMMNRPVMTUIBT-RYUDHWBXSA-N 0 1 279.409 2.547 20 30 CFEDMN CCc1ncc(CNCc2ccc(SC)c(C#N)c2)cn1 ZINC000886277040 646947467 /nfs/dbraw/zinc/94/74/67/646947467.db2.gz FEBQZLYRGAMHLC-UHFFFAOYSA-N 0 1 298.415 2.922 20 30 CFEDMN CSc1ccc(CNCc2cnn3c2CCC3)cc1C#N ZINC000886277629 646948289 /nfs/dbraw/zinc/94/82/89/646948289.db2.gz XAUTZUIRNFVBKS-UHFFFAOYSA-N 0 1 298.415 2.713 20 30 CFEDMN CC1(C)CN(C[C@H](O)CC2(C#N)CCC2)[C@@H]1c1ccncc1 ZINC000886288510 646954893 /nfs/dbraw/zinc/95/48/93/646954893.db2.gz AVMBYZWSLDWDPZ-HZPDHXFCSA-N 0 1 299.418 2.909 20 30 CFEDMN N#CC1(C[C@@H](O)CN[C@H](CF)c2ccc(F)cc2)CCC1 ZINC000886310512 646963408 /nfs/dbraw/zinc/96/34/08/646963408.db2.gz MQZLZBUXQIYXHE-HUUCEWRRSA-N 0 1 294.345 2.871 20 30 CFEDMN C#CC[C@@H]1CC[N@H+](Cc2nc(-c3ccc(F)cc3)no2)C1 ZINC000886353553 646982931 /nfs/dbraw/zinc/98/29/31/646982931.db2.gz LJLNOZLZAADACY-GFCCVEGCSA-N 0 1 285.322 2.721 20 30 CFEDMN C#CC[C@@H]1CCN(Cc2nc(-c3ccc(F)cc3)no2)C1 ZINC000886353553 646982932 /nfs/dbraw/zinc/98/29/32/646982932.db2.gz LJLNOZLZAADACY-GFCCVEGCSA-N 0 1 285.322 2.721 20 30 CFEDMN C#CC[C@H]1CC[N@H+](CC(=O)N(c2ccccc2)C(C)C)C1 ZINC000886354042 646982957 /nfs/dbraw/zinc/98/29/57/646982957.db2.gz VAKGNULJMHMQIP-INIZCTEOSA-N 0 1 284.403 2.773 20 30 CFEDMN C#CC[C@@H]1CC[N@@H+](Cc2nc(-c3ccccc3)no2)C1 ZINC000886353519 646983557 /nfs/dbraw/zinc/98/35/57/646983557.db2.gz KUJWQECBYLWJMN-CYBMUJFWSA-N 0 1 267.332 2.582 20 30 CFEDMN C#CC[C@@H]1CCN(Cc2nc(-c3ccccc3)no2)C1 ZINC000886353519 646983561 /nfs/dbraw/zinc/98/35/61/646983561.db2.gz KUJWQECBYLWJMN-CYBMUJFWSA-N 0 1 267.332 2.582 20 30 CFEDMN C#CC[C@H]1CCN([C@@H](C)c2nc3ccccc3c(=O)[nH]2)C1 ZINC000886360664 646986867 /nfs/dbraw/zinc/98/68/67/646986867.db2.gz ZFDIUGLTEZOYIC-STQMWFEESA-N 0 1 281.359 2.742 20 30 CFEDMN C#CC[C@@H]1CCN(CC(=O)Nc2ccc(CC)cc2)C1 ZINC000886360696 646987055 /nfs/dbraw/zinc/98/70/55/646987055.db2.gz ZVXJCUFEFCURLT-OAHLLOKOSA-N 0 1 270.376 2.533 20 30 CFEDMN C#CC[C@@H]1CCN(CC(=O)Nc2cc(Cl)ccc2C)C1 ZINC000886359411 646987202 /nfs/dbraw/zinc/98/72/02/646987202.db2.gz BQZPTKZLZZMIND-CYBMUJFWSA-N 0 1 290.794 2.932 20 30 CFEDMN C#CCC1(NCc2ccn(-c3ccccc3)n2)CCOCC1 ZINC000886379258 646993239 /nfs/dbraw/zinc/99/32/39/646993239.db2.gz UKPXQFLIEXOALD-UHFFFAOYSA-N 0 1 295.386 2.534 20 30 CFEDMN C=CCCCC(=O)N1CCN(C)C[C@@H]1CC(C)C ZINC000886593726 647058370 /nfs/dbraw/zinc/05/83/70/647058370.db2.gz XVZPRUNTIZPHFV-AWEZNQCLSA-N 0 1 252.402 2.531 20 30 CFEDMN C#CCC1(NC(=O)[C@H]2c3cn[nH]c3CC[C@@H]2C)CCCCC1 ZINC000886658981 647093747 /nfs/dbraw/zinc/09/37/47/647093747.db2.gz YILOXAFMZLMANS-XJKSGUPXSA-N 0 1 299.418 2.918 20 30 CFEDMN Cc1csc(C[C@H]2CCC[N@H+](CCO[C@@H](C)C#N)C2)n1 ZINC000886691759 647113511 /nfs/dbraw/zinc/11/35/11/647113511.db2.gz LSIJRDBHYXQUTR-UONOGXRCSA-N 0 1 293.436 2.635 20 30 CFEDMN C=CCC1(O)CCN(C[C@H](O)c2cccc(Cl)c2)CC1 ZINC000886766555 647131228 /nfs/dbraw/zinc/13/12/28/647131228.db2.gz MBKBKWZJAJZNAO-HNNXBMFYSA-N 0 1 295.810 2.776 20 30 CFEDMN Cc1cc(CN2CC[C@](CO)(C(F)(F)F)C2)ccc1C#N ZINC000886810674 647148015 /nfs/dbraw/zinc/14/80/15/647148015.db2.gz BGLKTOVYZURBQF-AWEZNQCLSA-N 0 1 298.308 2.613 20 30 CFEDMN C#CC(=O)Nc1ccc(CN2CCCC2)c(C(F)(F)F)c1 ZINC000924896946 648067732 /nfs/dbraw/zinc/06/77/32/648067732.db2.gz NPNRXHBPAJUEGI-UHFFFAOYSA-N 0 1 296.292 2.873 20 30 CFEDMN C=CCSCCN[C@H](C)c1cn2c(n1)CCCC2 ZINC000925352926 648157620 /nfs/dbraw/zinc/15/76/20/648157620.db2.gz RHAMVMPVSIPEIZ-GFCCVEGCSA-N 0 1 265.426 2.789 20 30 CFEDMN COc1ccccc1[C@H](CO)N[C@@H](C)CC(C)(C)C#N ZINC000925425296 648167319 /nfs/dbraw/zinc/16/73/19/648167319.db2.gz QLCSHIGKAXXPJL-JSGCOSHPSA-N 0 1 276.380 2.647 20 30 CFEDMN C[C@H](NC[C@@]1(C(F)(F)F)CCCN1)c1cccc(C#N)c1 ZINC000925853970 648345916 /nfs/dbraw/zinc/34/59/16/648345916.db2.gz KHARZJGPCCHDEC-SMDDNHRTSA-N 0 1 297.324 2.893 20 30 CFEDMN C=CCOc1ccc(CN[C@H](C)c2ccnnc2)cc1 ZINC000926400799 648477699 /nfs/dbraw/zinc/47/76/99/648477699.db2.gz JNJYVMKUFCVEDX-CYBMUJFWSA-N 0 1 269.348 2.892 20 30 CFEDMN COC1(OC)CC[C@@H]1NC1(c2ccc(C#N)cc2)CCC1 ZINC000926671880 648569415 /nfs/dbraw/zinc/56/94/15/648569415.db2.gz QPVLLZOWMPTGIE-HNNXBMFYSA-N 0 1 286.375 2.679 20 30 CFEDMN C#CCN1CCC(NC(=O)[C@@H](C)CCCCCC)CC1 ZINC000928655773 648938940 /nfs/dbraw/zinc/93/89/40/648938940.db2.gz YARBAVRDJVHRFM-HNNXBMFYSA-N 0 1 278.440 2.807 20 30 CFEDMN C#CCN1CCC(NC(=O)c2ccccc2C(C)(C)C)CC1 ZINC000928654643 648939055 /nfs/dbraw/zinc/93/90/55/648939055.db2.gz KQNAUJFHKZZVCW-UHFFFAOYSA-N 0 1 298.430 2.812 20 30 CFEDMN C#CCN1CCC(NC(=O)c2ccc(CC(C)C)cc2)CC1 ZINC000928658768 648939554 /nfs/dbraw/zinc/93/95/54/648939554.db2.gz QKRHSTOICZWOHW-UHFFFAOYSA-N 0 1 298.430 2.713 20 30 CFEDMN C#CCN1CCC(NC(=O)CCCCCCC)CC1 ZINC000928659060 648939674 /nfs/dbraw/zinc/93/96/74/648939674.db2.gz DSEUQYIPFUMGNW-UHFFFAOYSA-N 0 1 264.413 2.561 20 30 CFEDMN Cc1cc(C#N)cc(C)c1C[N@@H+]1C[C@H](C)OC[C@H]1C ZINC000929183633 648996571 /nfs/dbraw/zinc/99/65/71/648996571.db2.gz YTXAVIFGFJGDAT-KGLIPLIRSA-N 0 1 258.365 2.784 20 30 CFEDMN Cc1cc(C#N)cc(C)c1CN1C[C@H](C)OC[C@H]1C ZINC000929183633 648996574 /nfs/dbraw/zinc/99/65/74/648996574.db2.gz YTXAVIFGFJGDAT-KGLIPLIRSA-N 0 1 258.365 2.784 20 30 CFEDMN C#CCN1CCC(NC(=O)Nc2ccc(CCC)cc2)CC1 ZINC000929336747 649034038 /nfs/dbraw/zinc/03/40/38/649034038.db2.gz TUZQOGBZIOZDCY-UHFFFAOYSA-N 0 1 299.418 2.858 20 30 CFEDMN N#CC1(CCCCN2CC(=O)N[C@@H]3CCCC[C@H]32)CCC1 ZINC000929827686 649132908 /nfs/dbraw/zinc/13/29/08/649132908.db2.gz ACXCSKQVSFMTLU-HUUCEWRRSA-N 0 1 289.423 2.594 20 30 CFEDMN COC(=O)[C@@]1(C)CCN(Cc2cc(Cl)cc(C#N)c2)C1 ZINC000929833114 649134721 /nfs/dbraw/zinc/13/47/21/649134721.db2.gz VZMHOLNQJUDBOB-HNNXBMFYSA-N 0 1 292.766 2.597 20 30 CFEDMN COc1ccccc1C(C)(C)NCc1cncc(C#N)c1 ZINC000929964236 649156646 /nfs/dbraw/zinc/15/66/46/649156646.db2.gz WXCXYYALQMUFMM-UHFFFAOYSA-N 0 1 281.359 2.987 20 30 CFEDMN C#CCCCCCCN1CCN([C@H](C#N)C(C)C)CC1 ZINC000930115662 649187488 /nfs/dbraw/zinc/18/74/88/649187488.db2.gz OELHYMUCZWSFDG-QGZVFWFLSA-N 0 1 275.440 2.736 20 30 CFEDMN N#Cc1cncc(CN2CCC(Cc3cccnc3)CC2)c1 ZINC000930170677 649197581 /nfs/dbraw/zinc/19/75/81/649197581.db2.gz FVVUIEARYDIRHJ-UHFFFAOYSA-N 0 1 292.386 2.803 20 30 CFEDMN Cc1cc(CNC2(c3cccc(C#N)c3)CC2)c(C)nn1 ZINC000930219838 649208610 /nfs/dbraw/zinc/20/86/10/649208610.db2.gz QFYHWWQXJIASNF-UHFFFAOYSA-N 0 1 278.359 2.744 20 30 CFEDMN N#Cc1cncc(CN[C@H](CCCO)c2ccccc2)c1 ZINC000930226695 649209800 /nfs/dbraw/zinc/20/98/00/649209800.db2.gz MSCIOJFWXVFLND-QGZVFWFLSA-N 0 1 281.359 2.557 20 30 CFEDMN CC(C)[C@@H](NC[C@H](O)CC#N)c1ccccc1Cl ZINC000930224575 649209804 /nfs/dbraw/zinc/20/98/04/649209804.db2.gz MOZIZHJMNMSGTQ-BXUZGUMPSA-N 0 1 266.772 2.901 20 30 CFEDMN N#Cc1cncc(CN2CCC[C@H](c3ccccn3)C2)c1 ZINC000930570700 649276763 /nfs/dbraw/zinc/27/67/63/649276763.db2.gz SJVKEBFJGOCVIY-INIZCTEOSA-N 0 1 278.359 2.728 20 30 CFEDMN C[C@@H]1[C@H](CO)CCCN1Cc1cc(Cl)cc(C#N)c1 ZINC000930741198 649318396 /nfs/dbraw/zinc/31/83/96/649318396.db2.gz ZITAUDIZYSCQDZ-RISCZKNCSA-N 0 1 278.783 2.804 20 30 CFEDMN N#Cc1cncc(CN2CC3(CCC3)[C@H]2C2CCOCC2)c1 ZINC000930764574 649322893 /nfs/dbraw/zinc/32/28/93/649322893.db2.gz YLVOCGZMJJKHSY-QGZVFWFLSA-N 0 1 297.402 2.734 20 30 CFEDMN CC1(C)CN(CCCCC2(C#N)CCC2)[C@@H]2COC[C@H]2O1 ZINC000930865418 649338768 /nfs/dbraw/zinc/33/87/68/649338768.db2.gz DXHPVADNDIUEBK-HUUCEWRRSA-N 0 1 292.423 2.729 20 30 CFEDMN N#Cc1ccc(C2(NCc3cncc(C#N)c3)CCC2)cc1 ZINC000930885720 649343384 /nfs/dbraw/zinc/34/33/84/649343384.db2.gz ABQMHDBUQKACPW-UHFFFAOYSA-N 0 1 288.354 2.994 20 30 CFEDMN Cc1noc([C@H](C)N(C)CC2CCC(C#N)CC2)n1 ZINC000930889502 649344454 /nfs/dbraw/zinc/34/44/54/649344454.db2.gz QRONGIBESDQYEV-PKSQDBQZSA-N 0 1 262.357 2.701 20 30 CFEDMN COc1ccc([C@@H](NC[C@H](O)CC#N)c2ccccc2)cc1 ZINC000930929551 649352074 /nfs/dbraw/zinc/35/20/74/649352074.db2.gz RJVNJNNFKPPYJP-AEFFLSMTSA-N 0 1 296.370 2.649 20 30 CFEDMN N#CC1(C(=O)Nc2ccc3nc[nH]c3c2)CCSCC1 ZINC000930942532 649354312 /nfs/dbraw/zinc/35/43/12/649354312.db2.gz BNJVTWLVBWAXGK-UHFFFAOYSA-N 0 1 286.360 2.538 20 30 CFEDMN C[C@@]12COC[C@H]1CN(Cc1cc(Cl)cc(C#N)c1)C2 ZINC000931015700 649364861 /nfs/dbraw/zinc/36/48/61/649364861.db2.gz UEUQIPUKUSBBAA-UKRRQHHQSA-N 0 1 276.767 2.680 20 30 CFEDMN C[C@]12COC[C@@H]1CN(Cc1cc(Cl)cc(C#N)c1)C2 ZINC000931015701 649365008 /nfs/dbraw/zinc/36/50/08/649365008.db2.gz UEUQIPUKUSBBAA-ZFWWWQNUSA-N 0 1 276.767 2.680 20 30 CFEDMN C#CC1(O)CCN(Cc2c(C)cccc2Cl)CC1 ZINC000931149306 649387098 /nfs/dbraw/zinc/38/70/98/649387098.db2.gz HRADZCLMZDINCM-UHFFFAOYSA-N 0 1 263.768 2.609 20 30 CFEDMN C=CC1(CC(=O)Nc2nc(SC)n[nH]2)CCCCC1 ZINC000931203487 649393675 /nfs/dbraw/zinc/39/36/75/649393675.db2.gz RBMJGFYBDPNSMF-UHFFFAOYSA-N 0 1 280.397 2.992 20 30 CFEDMN N#CC1(CCCCN2CCO[C@@H](CCF)C2)CCC1 ZINC000931260692 649398858 /nfs/dbraw/zinc/39/88/58/649398858.db2.gz YPYAJPDBCJIAMR-AWEZNQCLSA-N 0 1 268.376 2.911 20 30 CFEDMN CN(C)CC#CCNC(=O)Nc1cccc(C2CCC2)c1 ZINC000931506058 649443168 /nfs/dbraw/zinc/44/31/68/649443168.db2.gz SNEHQNZDYRYVSO-UHFFFAOYSA-N 0 1 285.391 2.641 20 30 CFEDMN N#CCc1ccc(CN2CCc3nc[nH]c3C23CCC3)cc1 ZINC000931676677 649469995 /nfs/dbraw/zinc/46/99/95/649469995.db2.gz WHWUNGDRUVWIAF-UHFFFAOYSA-N 0 1 292.386 2.913 20 30 CFEDMN C#CCN(Cc1ccc(C#N)cc1OC)C(C)(C)C ZINC000932463701 649605955 /nfs/dbraw/zinc/60/59/55/649605955.db2.gz LSZWWOZMSCSMQU-UHFFFAOYSA-N 0 1 256.349 2.801 20 30 CFEDMN C=CCN(CC=C)C(=O)CN[C@@H](C)c1ccc(F)cc1C ZINC000932566699 649620492 /nfs/dbraw/zinc/62/04/92/649620492.db2.gz HMGILERILPJULH-AWEZNQCLSA-N 0 1 290.382 2.985 20 30 CFEDMN N#CCOc1ccc(CN2CCOC[C@@H]2CC2CC2)cc1 ZINC000933210512 649680070 /nfs/dbraw/zinc/68/00/70/649680070.db2.gz SNQNKGGVJMSLES-INIZCTEOSA-N 0 1 286.375 2.590 20 30 CFEDMN C[C@@H]1C[C@H]1CN1CCO[C@H](c2ccc(C#N)cc2)C1 ZINC000933632274 649708962 /nfs/dbraw/zinc/70/89/62/649708962.db2.gz QECWCRYJHGWENU-KCXAZCMYSA-N 0 1 256.349 2.588 20 30 CFEDMN N#Cc1ccc([C@H](O)CN(Cc2ccoc2)C2CC2)cc1 ZINC000934003609 649740519 /nfs/dbraw/zinc/74/05/19/649740519.db2.gz BUUYQRMUYLGRQS-QGZVFWFLSA-N 0 1 282.343 2.849 20 30 CFEDMN CO[C@H]1CC[C@H]1N(C)Cc1ccc(C#N)cc1OC(F)F ZINC000934120732 649752400 /nfs/dbraw/zinc/75/24/00/649752400.db2.gz IDULTKKSQCEYTP-OLZOCXBDSA-N 0 1 296.317 2.769 20 30 CFEDMN N#Cc1ccccc1CN1C[C@@H](Cc2ccccc2)[C@H](O)C1 ZINC000934435338 649786384 /nfs/dbraw/zinc/78/63/84/649786384.db2.gz POXBSMVFKRWZNS-RTBURBONSA-N 0 1 292.382 2.594 20 30 CFEDMN C=CC[C@@H]1CCN1Cc1cc(F)cc(C(C)=O)c1O ZINC000934465578 649789366 /nfs/dbraw/zinc/78/93/66/649789366.db2.gz MRSFOSORTZRHNH-CYBMUJFWSA-N 0 1 263.312 2.884 20 30 CFEDMN C=CC[C@@H]1CCN1[C@H](C)C(=O)N[C@H]1CCCC[C@@H]1C ZINC000934469980 649790502 /nfs/dbraw/zinc/79/05/02/649790502.db2.gz ACSMACALMLNVLR-YJNKXOJESA-N 0 1 264.413 2.720 20 30 CFEDMN CCC#C[C@@H](C)N1Cc2ncccc2N2CCC[C@H]2C1 ZINC000934490214 649794675 /nfs/dbraw/zinc/79/46/75/649794675.db2.gz FFDBBOAERIBVLY-CABCVRRESA-N 0 1 269.392 2.668 20 30 CFEDMN C=CCCCN(CC)[C@H](C)c1nc(C(=O)OC)co1 ZINC000934647672 649811960 /nfs/dbraw/zinc/81/19/60/649811960.db2.gz RKYILIGOGFYICB-LLVKDONJSA-N 0 1 266.341 2.810 20 30 CFEDMN N#CCC[C@H](C#N)C[N@H+]1CCCC[C@H]([C@@H]2CCOC2)C1 ZINC000934842656 649841546 /nfs/dbraw/zinc/84/15/46/649841546.db2.gz NMYCWUXMTYXREQ-OWCLPIDISA-N 0 1 275.396 2.569 20 30 CFEDMN O=C(/C=C/c1ccc([N+](=O)[O-])cc1)c1ccc(O)cc1O ZINC000098085213 651067627 /nfs/dbraw/zinc/06/76/27/651067627.db2.gz XRAHHIWSKGILGK-FPYGCLRLSA-N 0 1 285.255 2.902 20 30 CFEDMN COc1ccc(C=NNc2ccccn2)c(OC)c1 ZINC000254555090 651092659 /nfs/dbraw/zinc/09/26/59/651092659.db2.gz VCBFABXCFGIWDO-UHFFFAOYSA-N 0 1 257.293 2.545 20 30 CFEDMN C=C(C)CN1CCC[C@H](NC(=O)c2conc2C(C)C)C1 ZINC001007486698 651135778 /nfs/dbraw/zinc/13/57/78/651135778.db2.gz RDDZLAQWGDCJCO-ZDUSSCGKSA-N 0 1 291.395 2.568 20 30 CFEDMN C=CCN1CCC[C@H](NC(=O)[C@H]2CCCc3ccccc32)C1 ZINC001007630795 651137090 /nfs/dbraw/zinc/13/70/90/651137090.db2.gz AXHMSRIILHZNBB-WMZOPIPTSA-N 0 1 298.430 2.873 20 30 CFEDMN C=C(C)CN1CCC[C@H](NC(=O)C23CCC(CC2)C3)C1 ZINC001007635692 651137135 /nfs/dbraw/zinc/13/71/35/651137135.db2.gz KZKRMXATTAQUDI-CKDBGZEDSA-N 0 1 276.424 2.723 20 30 CFEDMN C=CCN1CCC[C@@H](NC(=O)[C@@H]2CC[C@@H]3C[C@@H]3CC2)C1 ZINC001008030419 651141421 /nfs/dbraw/zinc/14/14/21/651141421.db2.gz JCROTHCSTWFVOB-LVQVYYBASA-N 0 1 276.424 2.579 20 30 CFEDMN C=C(C)CN1CCC[C@@H](NC(=O)C2(C3CC3)CCC2)C1 ZINC001008067732 651141893 /nfs/dbraw/zinc/14/18/93/651141893.db2.gz CYUOWBOFYHEXBR-OAHLLOKOSA-N 0 1 276.424 2.723 20 30 CFEDMN C=CCN1CCC[C@@H](NC(=O)c2cc3ccsc3[nH]2)C1 ZINC001008114957 651142583 /nfs/dbraw/zinc/14/25/83/651142583.db2.gz IBLJXZUOIADASV-GFCCVEGCSA-N 0 1 289.404 2.610 20 30 CFEDMN C=C(C)CN1CCC[C@H](NC(=O)c2cc[nH]c2C(C)C)C1 ZINC001008249048 651145122 /nfs/dbraw/zinc/14/51/22/651145122.db2.gz ALRVTXWGPUXMSF-AWEZNQCLSA-N 0 1 289.423 2.908 20 30 CFEDMN C=C(C)CN1CCC[C@@H](NC(=O)c2ccc3[nH]ccc3c2)C1 ZINC001008366123 651147331 /nfs/dbraw/zinc/14/73/31/651147331.db2.gz PUTZJYXVLMFFAR-MRXNPFEDSA-N 0 1 297.402 2.938 20 30 CFEDMN C=C(C)CN1CCC[C@H](NC(=O)[C@@H]2C[C@H]2c2ccco2)C1 ZINC001008609015 651150906 /nfs/dbraw/zinc/15/09/06/651150906.db2.gz HMRLHEXWMULZBS-RRFJBIMHSA-N 0 1 288.391 2.540 20 30 CFEDMN C=CCN1CCC[C@@H](NC(=O)c2ccc(C)cc2F)C1 ZINC001008656238 651151477 /nfs/dbraw/zinc/15/14/77/651151477.db2.gz ZVVWCBHGRFSMMH-CYBMUJFWSA-N 0 1 276.355 2.514 20 30 CFEDMN C=CCN1CCC[C@@H](NC(=O)[C@@H]2C[C@H]2c2cccc(C)c2)C1 ZINC001008836770 651154618 /nfs/dbraw/zinc/15/46/18/651154618.db2.gz WSTRCHCGJKGXHL-FGTMMUONSA-N 0 1 298.430 2.865 20 30 CFEDMN C=CCN1CCC[C@H](NC(=O)c2ccc3cccnc3c2)C1 ZINC001008915776 651155604 /nfs/dbraw/zinc/15/56/04/651155604.db2.gz WBORCSJGFLITEC-INIZCTEOSA-N 0 1 295.386 2.615 20 30 CFEDMN C=CCN1CCC[C@H](NC(=O)[C@H](C)c2ccc(C)s2)C1 ZINC001009203367 651156981 /nfs/dbraw/zinc/15/69/81/651156981.db2.gz MNFNGMGYZPIBDL-KGLIPLIRSA-N 0 1 292.448 2.927 20 30 CFEDMN C=C(C)CN1CCC[C@@H](NC(=O)[C@@H]2C[C@H]2c2ccccc2)C1 ZINC001009242930 651157534 /nfs/dbraw/zinc/15/75/34/651157534.db2.gz GHZRGQGVOJERRE-FGTMMUONSA-N 0 1 298.430 2.947 20 30 CFEDMN C=C(C)CN1CCC[C@H](NC(=O)C2(c3ccccc3)CC2)C1 ZINC001009415879 651160315 /nfs/dbraw/zinc/16/03/15/651160315.db2.gz VGMOYXUOPPHFQF-KRWDZBQOSA-N 0 1 298.430 2.875 20 30 CFEDMN C=CCN1CCC[C@H](NC(=O)C2(C)CCC(C)CC2)C1 ZINC001009691643 651163069 /nfs/dbraw/zinc/16/30/69/651163069.db2.gz OOXPAJDVQQYNJZ-CKDBGZEDSA-N 0 1 278.440 2.969 20 30 CFEDMN C=CCN1CCC[C@H](NC(=O)[C@@]2(C)CCc3ccccc32)C1 ZINC001009692978 651163606 /nfs/dbraw/zinc/16/36/06/651163606.db2.gz UEINNVNSABUEOH-LPHOPBHVSA-N 0 1 298.430 2.657 20 30 CFEDMN C=CCN1CC[C@@H](NC(=O)c2cccc3c2CCCC3)C1 ZINC001014548620 651188466 /nfs/dbraw/zinc/18/84/66/651188466.db2.gz JRGUKFUYPLBCLV-OAHLLOKOSA-N 0 1 284.403 2.556 20 30 CFEDMN C#CCCN1CC[C@H](NC(=O)c2ccc(CCC)s2)C1 ZINC001014588075 651189089 /nfs/dbraw/zinc/18/90/89/651189089.db2.gz QTNPUPJYCCJTSD-ZDUSSCGKSA-N 0 1 290.432 2.528 20 30 CFEDMN C=C(C)CN1CC[C@@H](NC(=O)C(C)(C)C2CCCC2)C1 ZINC001014749929 651191474 /nfs/dbraw/zinc/19/14/74/651191474.db2.gz QZLZURJBALVZDP-OAHLLOKOSA-N 0 1 278.440 2.969 20 30 CFEDMN C=CCN1CC[C@@H](NC(=O)Cc2ccc(C)cc2Cl)C1 ZINC001014985715 651194746 /nfs/dbraw/zinc/19/47/46/651194746.db2.gz YCVJJUBIFFTKMP-CQSZACIVSA-N 0 1 292.810 2.567 20 30 CFEDMN C=CCN1CC[C@H](NC(=O)c2cccc3c(C)c(C)[nH]c32)C1 ZINC001014978758 651194783 /nfs/dbraw/zinc/19/47/83/651194783.db2.gz NCBCNTCGSYWUGD-AWEZNQCLSA-N 0 1 297.402 2.775 20 30 CFEDMN C=CCN1CC[C@@H](NC(=O)c2coc3cc(F)ccc23)C1 ZINC001015029439 651195185 /nfs/dbraw/zinc/19/51/85/651195185.db2.gz XCCBLFHOOBLKDK-GFCCVEGCSA-N 0 1 288.322 2.562 20 30 CFEDMN C=CCN1CC[C@@H](NC(=O)C2CCCCCCC2)C1 ZINC001015216284 651197525 /nfs/dbraw/zinc/19/75/25/651197525.db2.gz PMQWFEVZHKAEOA-OAHLLOKOSA-N 0 1 264.413 2.723 20 30 CFEDMN C=CCN1CC[C@H](NC(=O)c2csc3ccccc23)C1 ZINC001015429310 651200988 /nfs/dbraw/zinc/20/09/88/651200988.db2.gz HWVFLGKVNBMRTM-LBPRGKRZSA-N 0 1 286.400 2.891 20 30 CFEDMN C=C(C)CN1CC[C@@H](NC(=O)c2cc(C)ccc2F)C1 ZINC001015754928 651212574 /nfs/dbraw/zinc/21/25/74/651212574.db2.gz IEPGGYTVSLZWBE-CYBMUJFWSA-N 0 1 276.355 2.514 20 30 CFEDMN C=C(C)CN1CC[C@H](NC(=O)c2cnc3ccccc3c2)C1 ZINC001015760680 651212614 /nfs/dbraw/zinc/21/26/14/651212614.db2.gz WWXQSSKNZMCNFQ-INIZCTEOSA-N 0 1 295.386 2.615 20 30 CFEDMN C=C(C)CN1CC[C@H](NC(=O)c2ccc3cc[nH]c3c2)C1 ZINC001015760858 651212825 /nfs/dbraw/zinc/21/28/25/651212825.db2.gz AJLRYBVNQAFNJG-HNNXBMFYSA-N 0 1 283.375 2.548 20 30 CFEDMN C=CCCN1CC[C@@H](NC(=O)c2scnc2C(C)C)C1 ZINC001015816663 651215505 /nfs/dbraw/zinc/21/55/05/651215505.db2.gz ZRWLVUBGNBBOCU-GFCCVEGCSA-N 0 1 293.436 2.647 20 30 CFEDMN CC#CCN1CC[C@H](NC(=O)C[C@@H]2CCCC(C)(C)C2)C1 ZINC001015995389 651220044 /nfs/dbraw/zinc/22/00/44/651220044.db2.gz TYVBFHGQYQNRCO-HOTGVXAUSA-N 0 1 290.451 2.807 20 30 CFEDMN C=CCN1CC[C@@H](NC(=O)C[C@@H]2CCCc3ccccc32)C1 ZINC001016059917 651222910 /nfs/dbraw/zinc/22/29/10/651222910.db2.gz WYPCHNZKEDRAFJ-DLBZAZTESA-N 0 1 298.430 2.873 20 30 CFEDMN C=C(C)CN1CC[C@H](NC(=O)c2cc(C)c(C)s2)C1 ZINC001016201608 651227755 /nfs/dbraw/zinc/22/77/55/651227755.db2.gz HEEBWBJZBXXGDL-ZDUSSCGKSA-N 0 1 278.421 2.745 20 30 CFEDMN C=C(C)CN1CC[C@@H](NC(=O)c2cc(Cl)cn2CC)C1 ZINC001016273507 651229409 /nfs/dbraw/zinc/22/94/09/651229409.db2.gz WKUBTNFCJNWHLS-CYBMUJFWSA-N 0 1 295.814 2.542 20 30 CFEDMN C=C(Cl)CN1CCC2(C[C@H]2NC(=O)CC2CCC2)CC1 ZINC001016544836 651236757 /nfs/dbraw/zinc/23/67/57/651236757.db2.gz HTDOCFVQEFKUEJ-CQSZACIVSA-N 0 1 296.842 2.900 20 30 CFEDMN C=CCCN1C[C@H]2CC[C@@H](C1)N2C(=O)c1ccccc1 ZINC001017311294 651249349 /nfs/dbraw/zinc/24/93/49/651249349.db2.gz OBQHPCLWJVAVCF-IYBDPMFKSA-N 0 1 270.376 2.552 20 30 CFEDMN C=CCCN1C[C@H]2CC[C@@H](C1)N2C(=O)c1cc(C)c(C)o1 ZINC001017483556 651252650 /nfs/dbraw/zinc/25/26/50/651252650.db2.gz UYECDPDWCBBADZ-GASCZTMLSA-N 0 1 288.391 2.761 20 30 CFEDMN C=CCCN1C[C@H]2CC[C@@H](C1)N2C(=O)c1c(C)coc1C ZINC001017520661 651253409 /nfs/dbraw/zinc/25/34/09/651253409.db2.gz DSJVIXAERXDDLZ-GASCZTMLSA-N 0 1 288.391 2.761 20 30 CFEDMN C#CCCN1C[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1CCC[C@@H](C)C1 ZINC001017862640 651260081 /nfs/dbraw/zinc/26/00/81/651260081.db2.gz GFKMVLSOSWXTMJ-TWMKSMIVSA-N 0 1 288.435 2.511 20 30 CFEDMN C=C(Cl)CN[C@H]1CCN(C(=O)c2ccccc2C)C1 ZINC001018443433 651271553 /nfs/dbraw/zinc/27/15/53/651271553.db2.gz JOORCAQRYPEJTC-ZDUSSCGKSA-N 0 1 278.783 2.552 20 30 CFEDMN C=C(Cl)CN[C@H]1CCN(C(=O)C[C@H]2CC=CCC2)C1 ZINC001019243968 651281420 /nfs/dbraw/zinc/28/14/20/651281420.db2.gz NOULRYQXPJHMFT-KBPBESRZSA-N 0 1 282.815 2.676 20 30 CFEDMN C=C(Cl)CN[C@H]1CCN(C(=O)c2ccc(C)cc2F)C1 ZINC001019427596 651284646 /nfs/dbraw/zinc/28/46/46/651284646.db2.gz BCNDDXXEFWBCJU-LBPRGKRZSA-N 0 1 296.773 2.691 20 30 CFEDMN C=C(C)CN1CC[C@@H]1CN(C)C(=O)c1csc(C)c1 ZINC001085874733 782192163 /nfs/dbraw/zinc/19/21/63/782192163.db2.gz IMYHXQOQZFZXQU-CQSZACIVSA-N 0 1 278.421 2.779 20 30 CFEDMN C=CCCN1CCO[C@](C)(CNC(=O)CCCC(C)C)C1 ZINC001108233770 782245269 /nfs/dbraw/zinc/24/52/69/782245269.db2.gz CDOWJGNYOAIMNY-QGZVFWFLSA-N 0 1 296.455 2.596 20 30 CFEDMN C=CCN1CC[C@H](NC(=O)CCCCCC(C)C)C1 ZINC001266345305 769995004 /nfs/dbraw/zinc/99/50/04/769995004.db2.gz RBUGNQJHDRFYBI-HNNXBMFYSA-N 0 1 266.429 2.969 20 30 CFEDMN C#C[C@H](CCC)Oc1[nH]c(=O)nc2cccc(OC)c21 ZINC001229240587 776762853 /nfs/dbraw/zinc/76/28/53/776762853.db2.gz WVBNDQQFYBJCPX-SNVBAGLBSA-N 0 1 272.304 2.525 20 30 CFEDMN C#CCN1CC[C@H](NC(=O)c2ccccc2Cl)[C@H]1CC ZINC001087805877 777703608 /nfs/dbraw/zinc/70/36/08/777703608.db2.gz AMWCRBZKDWNEMT-LSDHHAIUSA-N 0 1 290.794 2.556 20 30 CFEDMN C=CCCN1CC[C@H]1CNC(=O)c1sccc1CC ZINC001039040879 769923866 /nfs/dbraw/zinc/92/38/66/769923866.db2.gz WQSAWRCCNLZXNS-ZDUSSCGKSA-N 0 1 278.421 2.691 20 30 CFEDMN C#Cc1ccc(C(=O)NCCN(C)Cc2ccsc2)cc1 ZINC001266306298 769944636 /nfs/dbraw/zinc/94/46/36/769944636.db2.gz LIRNPSKGABDCBX-UHFFFAOYSA-N 0 1 298.411 2.591 20 30 CFEDMN C=CCN(CCN1CCc2ccsc2C1)C(=O)OCC ZINC001209021798 769975064 /nfs/dbraw/zinc/97/50/64/769975064.db2.gz FEECGZFOUZSYEN-UHFFFAOYSA-N 0 1 294.420 2.751 20 30 CFEDMN CC#CCN(C)CCNC(=O)C[C@@H](CC)C(C)(C)C ZINC001266347245 769996858 /nfs/dbraw/zinc/99/68/58/769996858.db2.gz JAVFZIYEKPLVMC-CQSZACIVSA-N 0 1 266.429 2.520 20 30 CFEDMN C=C(C)CN1CC[C@H](NC(=O)C(CC)(CC)CC)C1 ZINC001266349479 770001733 /nfs/dbraw/zinc/00/17/33/770001733.db2.gz HOYQCHQQJBDVAV-AWEZNQCLSA-N 0 1 266.429 2.969 20 30 CFEDMN C=CCCCCN1CCN(c2ncccc2OC)CC1 ZINC001209206965 770012477 /nfs/dbraw/zinc/01/24/77/770012477.db2.gz DTSUHXMPJODDNN-UHFFFAOYSA-N 0 1 275.396 2.569 20 30 CFEDMN C=CC(C)(C)CC(=O)NCCN(CC)Cc1ccccn1 ZINC001266392071 770068291 /nfs/dbraw/zinc/06/82/91/770068291.db2.gz BDEOSVWZYQNCHH-UHFFFAOYSA-N 0 1 289.423 2.622 20 30 CFEDMN C=CCN1CCN(Cc2cc(C)c(F)c(C)c2)CC1 ZINC001143378520 770252543 /nfs/dbraw/zinc/25/25/43/770252543.db2.gz NFTDVJWMVBKKMH-UHFFFAOYSA-N 0 1 262.372 2.746 20 30 CFEDMN CC[C@@H]1OC(C)=C(OCCOCc2ccccc2)C1=O ZINC001210518062 770303049 /nfs/dbraw/zinc/30/30/49/770303049.db2.gz VPFKACHJHPDYIS-AWEZNQCLSA-N 0 1 276.332 2.829 20 30 CFEDMN CC=C(C)Nc1ccc(N2CCN(C)CC2)c(C#N)c1 ZINC001210795487 770372994 /nfs/dbraw/zinc/37/29/94/770372994.db2.gz WUPBRDSQLIVRHS-YIXHJXPBSA-N 0 1 270.380 2.646 20 30 CFEDMN CCCn1nccc1Nc1cc(C#N)c(F)cc1O ZINC001210918808 770397722 /nfs/dbraw/zinc/39/77/22/770397722.db2.gz VPVNKLCIHBYNKX-UHFFFAOYSA-N 0 1 260.272 2.753 20 30 CFEDMN C=CCN1CC[C@H]2CC[C@@H](C1)N2C(=O)c1oc(C)cc1C ZINC001039353112 770536169 /nfs/dbraw/zinc/53/61/69/770536169.db2.gz MMFJZIVBRGRDFC-CABCVRRESA-N 0 1 288.391 2.761 20 30 CFEDMN CC#CCN1CC=C(CNC(=O)[C@@H](CC)CCCC)CC1 ZINC001279492121 770562170 /nfs/dbraw/zinc/56/21/70/770562170.db2.gz GEISRFUEOXPOFW-KRWDZBQOSA-N 0 1 290.451 2.974 20 30 CFEDMN C=C(Cl)CNCCN(C)C(=O)c1c(C)noc1C(C)C ZINC001266732159 770563770 /nfs/dbraw/zinc/56/37/70/770563770.db2.gz GOFVPTGHGDTPJC-UHFFFAOYSA-N 0 1 299.802 2.521 20 30 CFEDMN C=CC(C)(C)C(=O)N1CCC[C@@H](N(C)C/C=C\Cl)C1 ZINC001267109989 770910133 /nfs/dbraw/zinc/91/01/33/770910133.db2.gz ZYXPYDZVBMUIHT-FNOHHLHBSA-N 0 1 284.831 2.874 20 30 CFEDMN N#C[C@@H]1CCC[N@H+](Cc2c([O-])cc(F)cc2F)CC1 ZINC001140583675 770964567 /nfs/dbraw/zinc/96/45/67/770964567.db2.gz QNDVUKLPBLCAPP-SNVBAGLBSA-N 0 1 266.291 2.796 20 30 CFEDMN C[C@H]1CCN(Cc2cc(C#N)ccc2Cl)CC[C@H]1O ZINC001140599439 773196016 /nfs/dbraw/zinc/19/60/16/773196016.db2.gz CDWIBIONIKNXCZ-XHDPSFHLSA-N 0 1 278.783 2.804 20 30 CFEDMN CC#CCN(C)CCNC(=O)c1cccc(C2CCC2)c1 ZINC001267225817 773228177 /nfs/dbraw/zinc/22/81/77/773228177.db2.gz DAJKGJGGRDNNBG-UHFFFAOYSA-N 0 1 284.403 2.639 20 30 CFEDMN C#CCN(CC)CCNC(=O)c1cccc2c1CCCCC2 ZINC001267243407 773252191 /nfs/dbraw/zinc/25/21/91/773252191.db2.gz XEPDJUXDEWHSRB-UHFFFAOYSA-N 0 1 298.430 2.640 20 30 CFEDMN C#CCCCCC(=O)NC[C@@H]1CCCN1C[C@H](F)CC ZINC001267263087 775118739 /nfs/dbraw/zinc/11/87/39/775118739.db2.gz ILURRCLMXRMHBS-CABCVRRESA-N 0 1 282.403 2.509 20 30 CFEDMN C=C(C)CN1CC[C@@H]1CNC(=O)[C@@H](CC)CC(F)(F)F ZINC001276954771 775133592 /nfs/dbraw/zinc/13/35/92/775133592.db2.gz CLGWZNGVZGHKQF-NWDGAFQWSA-N 0 1 292.345 2.732 20 30 CFEDMN C#CCN1CCC[C@H]1CNC(=O)[C@H](C)CCCCCC ZINC001267278540 775144117 /nfs/dbraw/zinc/14/41/17/775144117.db2.gz MDGVAWGBLCFFLI-CVEARBPZSA-N 0 1 278.440 2.807 20 30 CFEDMN C=C[C@H](C(=O)NC[C@H]1CCCN1CC#CC)c1ccccc1 ZINC001267283380 775153265 /nfs/dbraw/zinc/15/32/65/775153265.db2.gz WVYDNNFVWGMCQA-MSOLQXFVSA-N 0 1 296.414 2.560 20 30 CFEDMN C=C(C)CN1CC[C@@H]1CNC(=O)Cc1ccc(Cl)cc1 ZINC001276964757 775160324 /nfs/dbraw/zinc/16/03/24/775160324.db2.gz XAWREYZOQJLBLC-OAHLLOKOSA-N 0 1 292.810 2.649 20 30 CFEDMN C#CCN(CCNC(=O)CC1(C)CCCCC1)C1CC1 ZINC001267330045 775209778 /nfs/dbraw/zinc/20/97/78/775209778.db2.gz ZEEUANZCZIXYMA-UHFFFAOYSA-N 0 1 276.424 2.561 20 30 CFEDMN C=CC[C@@H](OCCN1CCN(C)CC1)c1ccccc1 ZINC001224548659 775217606 /nfs/dbraw/zinc/21/76/06/775217606.db2.gz FDLHJFPMYCTNNN-QGZVFWFLSA-N 0 1 274.408 2.568 20 30 CFEDMN C#CCN(CCNC(=O)CC[C@@H](C)c1ccccc1)C1CC1 ZINC001267333994 775218452 /nfs/dbraw/zinc/21/84/52/775218452.db2.gz UIAPLMZLHQFFCV-MRXNPFEDSA-N 0 1 298.430 2.784 20 30 CFEDMN N#Cc1ccccc1CN1CC[C@@H](OCCC2CC2)C1 ZINC001224761338 775268723 /nfs/dbraw/zinc/26/87/23/775268723.db2.gz LQVKHOCSBJLADG-QGZVFWFLSA-N 0 1 270.376 2.949 20 30 CFEDMN C=C(Cl)CNCCN(C)C(=O)[C@@H]1CCC(C)=C(C)C1 ZINC001267375957 775278295 /nfs/dbraw/zinc/27/82/95/775278295.db2.gz BIINBHCIDKAMNA-CQSZACIVSA-N 0 1 284.831 2.923 20 30 CFEDMN CCCCCCCC[C@@H](CC)OCC(=O)N1CCNCC1 ZINC001217898731 775361352 /nfs/dbraw/zinc/36/13/52/775361352.db2.gz XHEVBKMCQZGADZ-MRXNPFEDSA-N 0 1 298.471 2.964 20 30 CFEDMN N#Cc1ccc(CN2CC[C@H]3OCC[C@H]3C2)c(Cl)c1 ZINC000724830210 775405267 /nfs/dbraw/zinc/40/52/67/775405267.db2.gz KDGGHICUKJFTST-DZGCQCFKSA-N 0 1 276.767 2.822 20 30 CFEDMN CN(CCOCc1ccccc1)Cc1cncc(C#N)c1 ZINC000721600818 775425554 /nfs/dbraw/zinc/42/55/54/775425554.db2.gz AUKIGWTYOFYKIW-UHFFFAOYSA-N 0 1 281.359 2.602 20 30 CFEDMN C#CCN1CCCC[C@@H]1CNC(=O)[C@H]1CCCC(C)(C)C1 ZINC001024818726 775428139 /nfs/dbraw/zinc/42/81/39/775428139.db2.gz HISTVQQQZHJKIC-JKSUJKDBSA-N 0 1 290.451 2.807 20 30 CFEDMN C=CCN1CCCC[C@H]1CNC(=O)c1ccc(CF)cc1 ZINC001024818960 775429237 /nfs/dbraw/zinc/42/92/37/775429237.db2.gz IYUBZUOFHHRXDD-INIZCTEOSA-N 0 1 290.382 2.926 20 30 CFEDMN C=C1O[C@@H](C)C(=O)C1Oc1cc2c(c(F)c1)C(=O)CC2 ZINC001225370792 775433069 /nfs/dbraw/zinc/43/30/69/775433069.db2.gz IZFMLMVMPWEIGV-ZETCQYMHSA-N 0 1 276.263 2.553 20 30 CFEDMN C[C@@]1(O)CCCCN(Cc2cccc(C#N)c2Cl)C1 ZINC001140808591 775499974 /nfs/dbraw/zinc/49/99/74/775499974.db2.gz WYGXBARARBJZMU-OAHLLOKOSA-N 0 1 278.783 2.949 20 30 CFEDMN C=CC(=NCOC)NCc1nccc2ccccc21 ZINC001167699619 775531198 /nfs/dbraw/zinc/53/11/98/775531198.db2.gz CITDZJYLWQNLTP-UHFFFAOYSA-N 0 1 255.321 2.513 20 30 CFEDMN C=C(Cl)CN1CCC[C@@H]1[C@@H]1CCCCN1C(=O)CC ZINC001025186875 775560588 /nfs/dbraw/zinc/56/05/88/775560588.db2.gz ZSIXMDBEBCCKOB-KGLIPLIRSA-N 0 1 284.831 2.994 20 30 CFEDMN C=C1O[C@@H](C)C(=O)C1Oc1ccc(C(C)=O)cc1F ZINC001225873416 775617992 /nfs/dbraw/zinc/61/79/92/775617992.db2.gz QNNIYRKWRBILRZ-QMMMGPOBSA-N 0 1 264.252 2.626 20 30 CFEDMN C=C[C@]1(C)CC[C@@H](C(C)(C)Oc2[nH]c(=O)ncc2F)O1 ZINC001225881704 775622457 /nfs/dbraw/zinc/62/24/57/775622457.db2.gz LMPDXEPRHNNIQQ-IINYFYTJSA-N 0 1 282.315 2.602 20 30 CFEDMN C=C[C@@]1(C)CC[C@H](Oc2[nH]c(=O)ncc2F)C(C)(C)O1 ZINC001225884664 775623319 /nfs/dbraw/zinc/62/33/19/775623319.db2.gz HWWURAODLNFYHK-HZMBPMFUSA-N 0 1 282.315 2.602 20 30 CFEDMN C#C[C@@H](CCCC)Oc1nc(C(F)(F)F)cc(=O)[nH]1 ZINC001225977056 775655180 /nfs/dbraw/zinc/65/51/80/775655180.db2.gz DTLIGNZVPYXOBE-QMMMGPOBSA-N 0 1 274.242 2.772 20 30 CFEDMN N#C[C@@H](Oc1cccc2[nH]nnc21)c1cccc(F)c1 ZINC001225991719 775659204 /nfs/dbraw/zinc/65/92/04/775659204.db2.gz HKSDLLIEDAANJP-CYBMUJFWSA-N 0 1 268.251 2.741 20 30 CFEDMN C#CC[N@@H+]1CCC[C@H]([C@H](C)NC(=O)c2cc(C)cc(C)c2)C1 ZINC001025606404 775707253 /nfs/dbraw/zinc/70/72/53/775707253.db2.gz FOFFERWFXJKOLT-IRXDYDNUSA-N 0 1 298.430 2.767 20 30 CFEDMN C=C[C@@]1(C)CC[C@H](Oc2nc(C)cc(=O)[nH]2)C(C)(C)O1 ZINC001226159590 775720610 /nfs/dbraw/zinc/72/06/10/775720610.db2.gz QZVVWOJJWRHSDL-NHYWBVRUSA-N 0 1 278.352 2.772 20 30 CFEDMN C=C[C@]1(C)CC[C@@H](Oc2nc(C)cc(=O)[nH]2)C(C)(C)O1 ZINC001226159589 775721117 /nfs/dbraw/zinc/72/11/17/775721117.db2.gz QZVVWOJJWRHSDL-IAQYHMDHSA-N 0 1 278.352 2.772 20 30 CFEDMN C[C@H](Oc1nccc(/C=N/O)n1)c1c(F)cccc1F ZINC001226253896 775755533 /nfs/dbraw/zinc/75/55/33/775755533.db2.gz NVTAHAPHMGSTFK-TXQWPAICSA-N 0 1 279.246 2.703 20 30 CFEDMN C=CCC[C@H](C)N1CC(NC(=O)CCc2ccccc2)C1 ZINC001267668165 775765389 /nfs/dbraw/zinc/76/53/89/775765389.db2.gz ZEGOKRJYLGEAJY-HNNXBMFYSA-N 0 1 286.419 2.774 20 30 CFEDMN C=C[C@H](C#CC(C)(C)C)Oc1n[nH]c2ncccc12 ZINC001226306668 775775742 /nfs/dbraw/zinc/77/57/42/775775742.db2.gz XELHOGQFXHGSIM-LLVKDONJSA-N 0 1 255.321 2.941 20 30 CFEDMN C=CCC[C@@H](C(=O)NCC1CN(CC=C)C1)c1ccccc1 ZINC001267700316 775789774 /nfs/dbraw/zinc/78/97/74/775789774.db2.gz NIZSLNKKVHYJDM-GOSISDBHSA-N 0 1 298.430 2.970 20 30 CFEDMN C#C[C@@H]1CCC[C@H]1Oc1cc(N)nc2ccccc21 ZINC001226422950 775814347 /nfs/dbraw/zinc/81/43/47/775814347.db2.gz OXPXGUPYAZVQSA-BXUZGUMPSA-N 0 1 252.317 2.998 20 30 CFEDMN CCC1=C(Oc2nc3ccc(C)cc3[nH]2)C(=O)[C@@H](C)O1 ZINC001226505309 775851086 /nfs/dbraw/zinc/85/10/86/775851086.db2.gz DORRZRLJPUKCGW-SECBINFHSA-N 0 1 272.304 2.860 20 30 CFEDMN C#C[C@H]1CCC[C@H]1Oc1[nH]c(=O)nc2nc(Cl)ccc21 ZINC001226556586 775873196 /nfs/dbraw/zinc/87/31/96/775873196.db2.gz PRLOVABOSDSGFX-WCBMZHEXSA-N 0 1 289.722 2.565 20 30 CFEDMN C=CCCCCCN1CC[C@H]2C[C@]21C(=O)Nc1cn[nH]c1 ZINC001277154771 775961489 /nfs/dbraw/zinc/96/14/89/775961489.db2.gz XCAFPCNJPRRRRR-XJKSGUPXSA-N 0 1 288.395 2.559 20 30 CFEDMN C=CCC[C@@H](CC)Oc1nc2[nH]cnc2c(=S)[nH]1 ZINC001226785769 775962608 /nfs/dbraw/zinc/96/26/08/775962608.db2.gz OJXPIQOZLAACTH-MRVPVSSYSA-N 0 1 264.354 2.765 20 30 CFEDMN C#C[C@H](CC(C)C)Oc1nc(=O)[nH]c(C)c1Cl ZINC001227111742 776101050 /nfs/dbraw/zinc/10/10/50/776101050.db2.gz QMMCSFCNPMYKFO-SECBINFHSA-N 0 1 254.717 2.571 20 30 CFEDMN CCC(=O)[C@H](CC)Oc1nc2ccc(C#N)cc2[nH]1 ZINC001227217024 776141620 /nfs/dbraw/zinc/14/16/20/776141620.db2.gz ZHCOIIJVNXBDHK-ZDUSSCGKSA-N 0 1 257.293 2.571 20 30 CFEDMN C#C[C@H]1CCC[C@H]1Oc1nc2ccc(C#N)cc2[nH]1 ZINC001227217766 776141713 /nfs/dbraw/zinc/14/17/13/776141713.db2.gz CXNQRNQRWXGXKQ-SMDDNHRTSA-N 0 1 251.289 2.615 20 30 CFEDMN C#C[C@@H]1CCC[C@H]1Oc1nc2ccc(C#N)cc2[nH]1 ZINC001227217763 776141831 /nfs/dbraw/zinc/14/18/31/776141831.db2.gz CXNQRNQRWXGXKQ-BXUZGUMPSA-N 0 1 251.289 2.615 20 30 CFEDMN Cc1cn2c(n1)[C@@H](Oc1nc3ccc(C#N)cc3[nH]1)CCC2 ZINC001227218998 776142420 /nfs/dbraw/zinc/14/24/20/776142420.db2.gz JMULUGPFJPAXRS-AWEZNQCLSA-N 0 1 293.330 2.853 20 30 CFEDMN C=C1O[C@@H](CC)C(=O)C1Oc1nc2cccc(C)c2[nH]1 ZINC001227268653 776165031 /nfs/dbraw/zinc/16/50/31/776165031.db2.gz QTBPDYYHYYWSTD-NSHDSACASA-N 0 1 272.304 2.860 20 30 CFEDMN C=C1O[C@H](CC)C(=O)C1Oc1ccc(Cl)nc1F ZINC001227284869 776169102 /nfs/dbraw/zinc/16/91/02/776169102.db2.gz JQDFMAZPLNIIRU-SSDOTTSWSA-N 0 1 271.675 2.862 20 30 CFEDMN C=C[C@@]1(C)CC[C@H](Oc2ncnc3nc[nH]c32)C(C)(C)O1 ZINC001227534205 776223148 /nfs/dbraw/zinc/22/31/48/776223148.db2.gz LHNFENFVIBNDMX-BONVTDFDSA-N 0 1 288.351 2.634 20 30 CFEDMN C=C(C)CCC(=O)NC1CCN(C[C@@H](F)CC)CC1 ZINC001227597102 776236545 /nfs/dbraw/zinc/23/65/45/776236545.db2.gz SIWKIGLKLFTWDP-ZDUSSCGKSA-N 0 1 270.392 2.671 20 30 CFEDMN C=C[C@H](CCCC)Oc1nc(=O)[nH]c2c1CO[C@@H]2C ZINC001227716162 776268274 /nfs/dbraw/zinc/26/82/74/776268274.db2.gz LSECSZDQQMYVQJ-NXEZZACHSA-N 0 1 264.325 2.897 20 30 CFEDMN C#C[C@H](Oc1[nH]c(=O)nc2sccc21)c1ccncc1 ZINC001227845929 776306424 /nfs/dbraw/zinc/30/64/24/776306424.db2.gz OMZUWBNUWAGEFE-NSHDSACASA-N 0 1 283.312 2.545 20 30 CFEDMN CC#CCN1CCC(NC(=O)[C@](C)(F)CCCC)CC1 ZINC001228075448 776386331 /nfs/dbraw/zinc/38/63/31/776386331.db2.gz QPMLSKPXIZOOEJ-MRXNPFEDSA-N 0 1 282.403 2.509 20 30 CFEDMN C=C1O[C@@H](C)C(=O)C1Oc1ccc(O)cc1Br ZINC001228201049 776421051 /nfs/dbraw/zinc/42/10/51/776421051.db2.gz FVSMBEHAYSFSST-LURJTMIESA-N 0 1 299.120 2.753 20 30 CFEDMN CC#CCN1CCC[C@@H]1CNC(=O)C1CCCCCC1 ZINC001027777822 776450565 /nfs/dbraw/zinc/45/05/65/776450565.db2.gz LWQAGBBSTOVILR-MRXNPFEDSA-N 0 1 276.424 2.561 20 30 CFEDMN C=C1O[C@H](C)C(=O)C1Oc1ccc(OCC)c(F)c1 ZINC001228355699 776471421 /nfs/dbraw/zinc/47/14/21/776471421.db2.gz BITXEYHQHNLLJK-MRVPVSSYSA-N 0 1 266.268 2.823 20 30 CFEDMN C=CCN1CCC[C@@H]1CNC(=O)c1csc(C)c1C ZINC001027907291 776503593 /nfs/dbraw/zinc/50/35/93/776503593.db2.gz VNAMLXWAFBJHGH-CYBMUJFWSA-N 0 1 278.421 2.745 20 30 CFEDMN CC#CC[C@H](CC)Oc1nc(Cl)nc2nc[nH]c21 ZINC001228507411 776508449 /nfs/dbraw/zinc/50/84/49/776508449.db2.gz OMWMLVFGPTYQAG-QMMMGPOBSA-N 0 1 264.716 2.577 20 30 CFEDMN C=C(C)CN1CCC[C@@H]1CNC(=O)c1conc1C(C)C ZINC001027924698 776513729 /nfs/dbraw/zinc/51/37/29/776513729.db2.gz LXISZWAHDRGNIN-CYBMUJFWSA-N 0 1 291.395 2.568 20 30 CFEDMN C=CC[N@@H+]1CCC[C@H]1CNC(=O)c1ccc2cc(C)cn2c1 ZINC001027926078 776515184 /nfs/dbraw/zinc/51/51/84/776515184.db2.gz JZCPIPBSCCEVAW-KRWDZBQOSA-N 0 1 297.402 2.628 20 30 CFEDMN C=CCN1CCC[C@H]1CNC(=O)c1cc(F)c(C)cc1F ZINC001027948234 776522663 /nfs/dbraw/zinc/52/26/63/776522663.db2.gz CNZBSZIXDSANPA-LBPRGKRZSA-N 0 1 294.345 2.653 20 30 CFEDMN C#CCN1CCC[C@@H]1CNC(=O)c1ccccc1C(C)(C)C ZINC001027956733 776525307 /nfs/dbraw/zinc/52/53/07/776525307.db2.gz NRYGWARTUTZDEL-OAHLLOKOSA-N 0 1 298.430 2.812 20 30 CFEDMN C=C(C)C(C)(C)C(=O)NC1CCN(C[C@@H](F)CC)CC1 ZINC001228589270 776531766 /nfs/dbraw/zinc/53/17/66/776531766.db2.gz QFCFOMNTTKMMRP-ZDUSSCGKSA-N 0 1 284.419 2.917 20 30 CFEDMN C=CCN1CCC[C@H]1CNC(=O)c1ccc(C)c(F)c1 ZINC001028011483 776555096 /nfs/dbraw/zinc/55/50/96/776555096.db2.gz QRAIDAVVFXTLML-AWEZNQCLSA-N 0 1 276.355 2.514 20 30 CFEDMN C=CCN1CCC[C@@H]1CNC(=O)c1ccc(Cl)cc1F ZINC001028010177 776555381 /nfs/dbraw/zinc/55/53/81/776555381.db2.gz SLOFIFHETXIFQO-GFCCVEGCSA-N 0 1 296.773 2.859 20 30 CFEDMN C=C(C)C[C@H](C)C(=O)NC1CCN(C[C@H](F)CC)CC1 ZINC001228800811 776617896 /nfs/dbraw/zinc/61/78/96/776617896.db2.gz FWKBIFBQGXTNIB-UONOGXRCSA-N 0 1 284.419 2.917 20 30 CFEDMN C[C@@H]1C[C@@H](F)CN1Cc1c[nH]c2c1cccc2C#N ZINC001139701352 776654712 /nfs/dbraw/zinc/65/47/12/776654712.db2.gz FGOKUSHSLWGLOB-ZWNOBZJWSA-N 0 1 257.312 2.972 20 30 CFEDMN C=CCN1CCC[C@@H]1CNC(=O)c1cc([C@H](C)CC)no1 ZINC001028188320 776688929 /nfs/dbraw/zinc/68/89/29/776688929.db2.gz ZPGVOCFMBWSRHJ-CHWSQXEVSA-N 0 1 291.395 2.568 20 30 CFEDMN C=C[C@@](C)(CC)C(=O)NC1CCN(C[C@@H](F)CC)CC1 ZINC001229048941 776701221 /nfs/dbraw/zinc/70/12/21/776701221.db2.gz QKOPNYHQPRDDMX-BBRMVZONSA-N 0 1 284.419 2.917 20 30 CFEDMN C=CCCCC(=O)N[C@@H](C)[C@@H](C)NCc1ccc(F)cn1 ZINC001282184672 776711336 /nfs/dbraw/zinc/71/13/36/776711336.db2.gz JMVCHGKZKXRJRK-OLZOCXBDSA-N 0 1 293.386 2.560 20 30 CFEDMN O/N=C(\O[C@H]1CCOC[C@@H]1F)c1ccc(Cl)cc1 ZINC001223593674 776738540 /nfs/dbraw/zinc/73/85/40/776738540.db2.gz MCNLYTSKUZHWHD-GTNCLJFYSA-N 0 1 273.691 2.619 20 30 CFEDMN C=CCC[C@@H](C)N1CC(NC(=O)C(C)(C)C2CC2)C1 ZINC001268437625 776807063 /nfs/dbraw/zinc/80/70/63/776807063.db2.gz KQFFXLBNEDGTNM-GFCCVEGCSA-N 0 1 264.413 2.578 20 30 CFEDMN N#Cc1ccc(F)c(-c2noc(-c3cc(Cl)[nH]n3)n2)c1 ZINC001213498358 776829275 /nfs/dbraw/zinc/82/92/75/776829275.db2.gz KAPZGXVRKNFBON-UHFFFAOYSA-N 0 1 289.657 2.791 20 30 CFEDMN CC#CCN1CCC[C@@H]1CNC(=O)c1c(C)cc(C)cc1C ZINC001028301104 776846249 /nfs/dbraw/zinc/84/62/49/776846249.db2.gz AGQXURYVCKEHJW-QGZVFWFLSA-N 0 1 298.430 2.829 20 30 CFEDMN C=C1O[C@@H](CC)C(=O)C1Oc1ccc(OCCOC)cc1 ZINC001229579066 776851100 /nfs/dbraw/zinc/85/11/00/776851100.db2.gz SYWQJRWVUOEPFR-AWEZNQCLSA-N 0 1 292.331 2.700 20 30 CFEDMN C#CCN1CCC[C@@H]1CNC(=O)c1ccccc1CC(C)C ZINC001028338252 776861454 /nfs/dbraw/zinc/86/14/54/776861454.db2.gz WYRADPXURVSCHT-QGZVFWFLSA-N 0 1 298.430 2.713 20 30 CFEDMN C=CCN1CCC[C@@H]1CNC(=O)C12CC(C(C)(C)C)(C1)C2 ZINC001028341574 776865425 /nfs/dbraw/zinc/86/54/25/776865425.db2.gz OLMWKFWNZFGAAW-RWBZWWBESA-N 0 1 290.451 2.969 20 30 CFEDMN C=CC[N@@H+]1CCC[C@H]1CNC(=O)C1CC(C(C)(C)C)C1 ZINC001028341650 776866044 /nfs/dbraw/zinc/86/60/44/776866044.db2.gz PYIOHIVOAAVNOP-NRXISQOPSA-N 0 1 278.440 2.825 20 30 CFEDMN CC[C@@H](Cc1ccc(OC)c(OC)c1)NCCC#N ZINC000425967397 776871124 /nfs/dbraw/zinc/87/11/24/776871124.db2.gz NXNVBVMKMCMRLY-ZDUSSCGKSA-N 0 1 262.353 2.528 20 30 CFEDMN C/C(=N\O)c1ccccc1O[C@@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC001229736674 776883238 /nfs/dbraw/zinc/88/32/38/776883238.db2.gz HIVSYZVAEZTUEP-ZCWZVNOHSA-N 0 1 274.364 2.889 20 30 CFEDMN C/C(=N\[O-])c1ccccc1O[C@@H]1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC001229736674 776883250 /nfs/dbraw/zinc/88/32/50/776883250.db2.gz HIVSYZVAEZTUEP-ZCWZVNOHSA-N 0 1 274.364 2.889 20 30 CFEDMN C/C(=N\[O-])c1ccccc1O[C@@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC001229736674 776883258 /nfs/dbraw/zinc/88/32/58/776883258.db2.gz HIVSYZVAEZTUEP-ZCWZVNOHSA-N 0 1 274.364 2.889 20 30 CFEDMN CC[NH+]1CCC(Oc2ccccc2/C(C)=N/[O-])CC1 ZINC001229736708 776883844 /nfs/dbraw/zinc/88/38/44/776883844.db2.gz IEZAOBQLRDUVMW-FOWTUZBSSA-N 0 1 262.353 2.748 20 30 CFEDMN CC#CCN1CCC[C@H](NC(=O)CC(C)(C)C2CC2)[C@@H]1C ZINC001284124550 776898063 /nfs/dbraw/zinc/89/80/63/776898063.db2.gz WLMMFKYYDKLMFI-HOCLYGCPSA-N 0 1 290.451 2.805 20 30 CFEDMN C=C1O[C@@H](C)C(=O)C1Oc1cccc(Cl)c1C(=O)OC ZINC001229846181 776903147 /nfs/dbraw/zinc/90/31/47/776903147.db2.gz QRFXDZNHDOYPBC-ZETCQYMHSA-N 0 1 296.706 2.725 20 30 CFEDMN C=C(Cl)CNC/C=C/CNC(=O)C[C@H]1CC=CCC1 ZINC001268576043 776952156 /nfs/dbraw/zinc/95/21/56/776952156.db2.gz TXMKFCSIGYRSTK-GJBLVYBDSA-N 0 1 282.815 2.747 20 30 CFEDMN C=C(C)[C@@H]1CC[C@@H](C)C[C@@H]1Oc1nc(C(=O)OC)c[n-]1 ZINC001230282029 776971445 /nfs/dbraw/zinc/97/14/45/776971445.db2.gz NXYQACHTQLWUKC-MDZLAQPJSA-N 0 1 278.352 2.956 20 30 CFEDMN C=C(C)[C@@H]1CC[C@@H](C)C[C@@H]1Oc1nc(C(=O)OC)c[nH]1 ZINC001230282029 776971448 /nfs/dbraw/zinc/97/14/48/776971448.db2.gz NXYQACHTQLWUKC-MDZLAQPJSA-N 0 1 278.352 2.956 20 30 CFEDMN C=C(Cl)CNC/C=C/CNC(=O)C(C)(C)C(C)(F)F ZINC001268620688 776999917 /nfs/dbraw/zinc/99/99/17/776999917.db2.gz XVNALHOCXLAIQD-AATRIKPKSA-N 0 1 294.773 2.682 20 30 CFEDMN N#CC1CCC(Oc2cc3[nH]ncc3cc2[N+](=O)[O-])CC1 ZINC001230596624 777021969 /nfs/dbraw/zinc/02/19/69/777021969.db2.gz SSWQUNLQSVZPLP-UHFFFAOYSA-N 0 1 286.291 2.932 20 30 CFEDMN C=CC[C@H](C=C)Oc1cc2[nH]ncc2cc1[N+](=O)[O-] ZINC001230601698 777024167 /nfs/dbraw/zinc/02/41/67/777024167.db2.gz QBBGTQMFZPJGMZ-JTQLQIEISA-N 0 1 259.265 2.981 20 30 CFEDMN C=C(C)CCC(=O)N[C@@H](C)CN(C)CCC(F)(F)F ZINC001268732874 777037248 /nfs/dbraw/zinc/03/72/48/777037248.db2.gz PYAYEKMURKBECK-NSHDSACASA-N 0 1 280.334 2.732 20 30 CFEDMN C#CCN(C)C[C@@H](C)NC(=O)C[C@@H]1CCCc2ccccc21 ZINC001268753365 777046512 /nfs/dbraw/zinc/04/65/12/777046512.db2.gz UFBQRIZSXMYPAH-WBVHZDCISA-N 0 1 298.430 2.566 20 30 CFEDMN C#C[C@H]1CCC[C@H]1Oc1[nH]c(=O)nc2ccc(OC)cc21 ZINC001230862722 777077372 /nfs/dbraw/zinc/07/73/72/777077372.db2.gz SYNVBXJJALXMBW-IINYFYTJSA-N 0 1 284.315 2.525 20 30 CFEDMN C#C[C@@H]1CCC[C@@H]1Oc1[nH]c(=O)nc2ccc(OC)cc21 ZINC001230862724 777077423 /nfs/dbraw/zinc/07/74/23/777077423.db2.gz SYNVBXJJALXMBW-YGRLFVJLSA-N 0 1 284.315 2.525 20 30 CFEDMN C#C[C@H](Oc1nncc2n[nH]cc21)[C@@H](CC)CCCC ZINC001230901659 777087808 /nfs/dbraw/zinc/08/78/08/777087808.db2.gz SHVKJRHKXNSBAC-FZMZJTMJSA-N 0 1 272.352 2.950 20 30 CFEDMN C=CCN1CC[C@H](NC(=O)C[C@H](C)CCCCC)C1 ZINC001269069130 777096371 /nfs/dbraw/zinc/09/63/71/777096371.db2.gz JFMKWHJLTKDUMK-CABCVRRESA-N 0 1 266.429 2.969 20 30 CFEDMN C=CCc1cccc(O[C@H]2C[C@@H]3CC(=O)C[C@H]2N3C)c1 ZINC001231016098 777117261 /nfs/dbraw/zinc/11/72/61/777117261.db2.gz WZNMKIKQXLEUHS-XKQJLSEDSA-N 0 1 271.360 2.598 20 30 CFEDMN C=CCC(CC=C)Oc1nc(Cl)nc2[nH]ncc21 ZINC001231049595 777125364 /nfs/dbraw/zinc/12/53/64/777125364.db2.gz LXAXPZNIDQHQMB-UHFFFAOYSA-N 0 1 264.716 2.906 20 30 CFEDMN C#C[C@@H](Oc1[nH]c(=O)nc2cccc(F)c21)C(C)C ZINC001231074186 777133201 /nfs/dbraw/zinc/13/32/01/777133201.db2.gz MGWQIVWKQJKSKJ-LLVKDONJSA-N 0 1 260.268 2.511 20 30 CFEDMN C=CCCC(=O)N(C)C[C@H]1CCN1Cc1cccc(C)c1 ZINC001231115393 777144942 /nfs/dbraw/zinc/14/49/42/777144942.db2.gz VISLNXKEFMFNDB-QGZVFWFLSA-N 0 1 286.419 2.994 20 30 CFEDMN C=C(C)CN1CC[C@@H]1CN(C)C(=O)C[C@@H](C)CCC ZINC001231129503 777151401 /nfs/dbraw/zinc/15/14/01/777151401.db2.gz CJHHVNPZUWAHIM-LSDHHAIUSA-N 0 1 266.429 2.922 20 30 CFEDMN C=CC(C=C)Oc1nc2ccc(NC(=O)CC(C)=O)cc2[nH]1 ZINC001231184700 777168823 /nfs/dbraw/zinc/16/88/23/777168823.db2.gz DCMMBYGYBIYQEZ-UHFFFAOYSA-N 0 1 299.330 2.600 20 30 CFEDMN C#C[C@H](Oc1nc(C)cc(O)c1[N+](=O)[O-])c1ccccc1 ZINC001231259065 777178485 /nfs/dbraw/zinc/17/84/85/777178485.db2.gz DZEPDUDMXJIXLD-ZDUSSCGKSA-N 0 1 284.271 2.757 20 30 CFEDMN C=C(C)CN1CC[C@@H]1CN(C)C(=O)[C@@H](C)CCC ZINC001231262221 777180281 /nfs/dbraw/zinc/18/02/81/777180281.db2.gz CZBGQIVYDPXYBA-UONOGXRCSA-N 0 1 252.402 2.531 20 30 CFEDMN C=C[C@H](C#CC(C)(C)C)Oc1nc(C)cc(O)c1[N+](=O)[O-] ZINC001231262902 777180420 /nfs/dbraw/zinc/18/04/20/777180420.db2.gz HVRRNKISRPSWFU-LLVKDONJSA-N 0 1 290.319 2.987 20 30 CFEDMN C#C[C@H](CCCC)Oc1nc(C)cc(O)c1[N+](=O)[O-] ZINC001231265052 777181543 /nfs/dbraw/zinc/18/15/43/777181543.db2.gz VZBSMWWELQZMCM-SNVBAGLBSA-N 0 1 264.281 2.575 20 30 CFEDMN C=C[C@H](CCC)Oc1nc(C)cc(O)c1[N+](=O)[O-] ZINC001231265174 777181641 /nfs/dbraw/zinc/18/16/41/777181641.db2.gz ZPOOQNNASIZGLO-SECBINFHSA-N 0 1 252.270 2.737 20 30 CFEDMN N#Cc1ccc2c(c1)C[N@H+](Cc1c[nH]c3cnccc13)CC2 ZINC001231514983 777248002 /nfs/dbraw/zinc/24/80/02/777248002.db2.gz AOYRTXJCMAUPCY-UHFFFAOYSA-N 0 1 288.354 2.993 20 30 CFEDMN N#Cc1ccc2c(c1)CN(Cc1c[nH]c3cnccc13)CC2 ZINC001231514983 777248005 /nfs/dbraw/zinc/24/80/05/777248005.db2.gz AOYRTXJCMAUPCY-UHFFFAOYSA-N 0 1 288.354 2.993 20 30 CFEDMN C[N@@H+](Cc1cccc(C#N)c1)Cc1cc(C(=O)[O-])ccc1O ZINC001231567255 777260573 /nfs/dbraw/zinc/26/05/73/777260573.db2.gz YBDLSUJSTCBVMO-UHFFFAOYSA-N 0 1 296.326 2.594 20 30 CFEDMN C=CCCCN1CC(N(C)C(=O)[C@H]2C[C@@]2(C)C(C)C)C1 ZINC001269867213 777262190 /nfs/dbraw/zinc/26/21/90/777262190.db2.gz USQUISISPHGLNH-WBVHZDCISA-N 0 1 278.440 2.777 20 30 CFEDMN C=CCOc1cccc(CN2CCc3c(cc[nH]c3=O)C2)c1 ZINC001231624866 777284045 /nfs/dbraw/zinc/28/40/45/777284045.db2.gz ZJTXVRCHLZBCJP-UHFFFAOYSA-N 0 1 296.370 2.910 20 30 CFEDMN C#Cc1cccc(CN(C)CCNC(=O)OC(C)(C)C)c1 ZINC001231655162 777293599 /nfs/dbraw/zinc/29/35/99/777293599.db2.gz AQGWCGWWMXCMCE-UHFFFAOYSA-N 0 1 288.391 2.624 20 30 CFEDMN C#Cc1cccc(CN(CCC(=O)OC)Cc2ccco2)c1 ZINC001231659649 777297675 /nfs/dbraw/zinc/29/76/75/777297675.db2.gz QHFUSTPZJVCASO-UHFFFAOYSA-N 0 1 297.354 2.826 20 30 CFEDMN COCc1ccc(C[N@@H+]2[C@@H]3CC[C@H]2C[C@H](C#N)C3)o1 ZINC001231693334 777310010 /nfs/dbraw/zinc/31/00/10/777310010.db2.gz ICQBQCFGXFUTIX-XYYAHUGASA-N 0 1 260.337 2.693 20 30 CFEDMN COCc1ccc(CN2[C@@H]3CC[C@H]2C[C@H](C#N)C3)o1 ZINC001231693334 777310014 /nfs/dbraw/zinc/31/00/14/777310014.db2.gz ICQBQCFGXFUTIX-XYYAHUGASA-N 0 1 260.337 2.693 20 30 CFEDMN C[C@@H]1C[C@H](F)C[N@H+]1Cc1ccc(N(C)CCC#N)cc1 ZINC001231816003 777342994 /nfs/dbraw/zinc/34/29/94/777342994.db2.gz GXSRDIFNOBDZDO-HIFRSBDPSA-N 0 1 275.371 2.969 20 30 CFEDMN C[C@@H]1C[C@H](F)CN1Cc1ccc(N(C)CCC#N)cc1 ZINC001231816003 777342999 /nfs/dbraw/zinc/34/29/99/777342999.db2.gz GXSRDIFNOBDZDO-HIFRSBDPSA-N 0 1 275.371 2.969 20 30 CFEDMN CC[C@@]12C[C@@H](CO1)N(Cc1ccc(N(C)CCC#N)cc1)C2 ZINC001231820247 777343762 /nfs/dbraw/zinc/34/37/62/777343762.db2.gz CNGVMTDOOWJKEV-ROUUACIJSA-N 0 1 299.418 2.790 20 30 CFEDMN C=C(C)CCN1CC(N(C)C(=O)C=C(CC)CC)C1 ZINC001277580684 777364902 /nfs/dbraw/zinc/36/49/02/777364902.db2.gz MTJQUTSJNPJYAV-UHFFFAOYSA-N 0 1 264.413 2.842 20 30 CFEDMN CC#CC[N@H+]1CC[C@@H](CNC(=O)[C@@H]2CCCC(C)(C)C2)C1 ZINC001029009952 777376752 /nfs/dbraw/zinc/37/67/52/777376752.db2.gz WSKSEQTWOZCZEN-JKSUJKDBSA-N 0 1 290.451 2.664 20 30 CFEDMN C#CCN1CC[C@@](C)(NC(=O)CC2(C)CCCCC2)C1 ZINC001270606573 777421602 /nfs/dbraw/zinc/42/16/02/777421602.db2.gz DMQUUTVKUFDKGY-QGZVFWFLSA-N 0 1 276.424 2.561 20 30 CFEDMN C=C(C)CN(CC)Cc1cn(C)nc1C(F)(F)F ZINC001232090390 777436658 /nfs/dbraw/zinc/43/66/58/777436658.db2.gz LJFNDNNSZJDDJL-UHFFFAOYSA-N 0 1 261.291 2.837 20 30 CFEDMN C=C(Cl)CNC[C@H](C1CC1)N(C)C(=O)[C@H]1CC=CCC1 ZINC001277615056 777443857 /nfs/dbraw/zinc/44/38/57/777443857.db2.gz HZFGDIVXLIIBOW-LSDHHAIUSA-N 0 1 296.842 2.922 20 30 CFEDMN CCO[C@@H]1CCN(Cc2ccc(C#N)c(Cl)c2)C1 ZINC001232116516 777444993 /nfs/dbraw/zinc/44/49/93/777444993.db2.gz MLRFIXYOWFDGBQ-CYBMUJFWSA-N 0 1 264.756 2.822 20 30 CFEDMN COC(=O)C[C@@H]1CCCN1Cc1ccc(C#N)c(Cl)c1 ZINC001232115606 777445245 /nfs/dbraw/zinc/44/52/45/777445245.db2.gz WJRCQKWIRLNOPR-ZDUSSCGKSA-N 0 1 292.766 2.739 20 30 CFEDMN COC(=O)[C@]1(C)CCN(Cc2ccc(C#N)c(Cl)c2)C1 ZINC001232117629 777445303 /nfs/dbraw/zinc/44/53/03/777445303.db2.gz CFHKUQPOFIDCBZ-OAHLLOKOSA-N 0 1 292.766 2.597 20 30 CFEDMN CCOc1ccc(CN2CCC[C@H](C#N)CC2)c(C)n1 ZINC001232313439 777517552 /nfs/dbraw/zinc/51/75/52/777517552.db2.gz YFZXRWNSVUOIBS-AWEZNQCLSA-N 0 1 273.380 2.914 20 30 CFEDMN Cc1nc(C[NH+]2CCC(C#Cc3ccccc3)CC2)c[nH]1 ZINC001232465773 777570162 /nfs/dbraw/zinc/57/01/62/777570162.db2.gz PHAJYSDSWSWBQD-UHFFFAOYSA-N 0 1 279.387 2.982 20 30 CFEDMN Cc1nc(CN2CCC(C#Cc3ccccc3)CC2)c[nH]1 ZINC001232465773 777570164 /nfs/dbraw/zinc/57/01/64/777570164.db2.gz PHAJYSDSWSWBQD-UHFFFAOYSA-N 0 1 279.387 2.982 20 30 CFEDMN C#C[C@H](CCC)Oc1[nH]c(=O)nc2nc(Cl)ccc21 ZINC001226555642 777572718 /nfs/dbraw/zinc/57/27/18/777572718.db2.gz DZBPDVMHFOVROG-MRVPVSSYSA-N 0 1 277.711 2.565 20 30 CFEDMN C[C@H](CNCc1ccccc1C#N)N(C)C(=O)C=C1CCC1 ZINC001270929283 777607530 /nfs/dbraw/zinc/60/75/30/777607530.db2.gz KEQMULCGRALBKN-CQSZACIVSA-N 0 1 297.402 2.605 20 30 CFEDMN C=CCCCN1CC(N(C)C(=O)[C@H]2CC[C@H](C)CC2)C1 ZINC001277686795 777614012 /nfs/dbraw/zinc/61/40/12/777614012.db2.gz SLEUOCPWHRSKFS-SHTZXODSSA-N 0 1 278.440 2.922 20 30 CFEDMN COc1cccc(C)c1CN1CCC2SC(=O)C=C2C1 ZINC001232620642 777621037 /nfs/dbraw/zinc/62/10/37/777621037.db2.gz PPNKRDRFJVSSFQ-OAHLLOKOSA-N 0 1 289.400 2.778 20 30 CFEDMN C=CCN(C)Cc1c(Cl)c2ccccc2n(C)c1=O ZINC001232643109 777627979 /nfs/dbraw/zinc/62/79/79/777627979.db2.gz AHVWJIDYDAYCRV-UHFFFAOYSA-N 0 1 276.767 2.810 20 30 CFEDMN N#Cc1ccc([O-])c(C[N@@H+]2C[C@@H]3CCCC[C@@H]3C2)c1 ZINC001232673468 777636445 /nfs/dbraw/zinc/63/64/45/777636445.db2.gz HHSXEZIRZYSTMS-OKILXGFUSA-N 0 1 256.349 2.886 20 30 CFEDMN N#Cc1ccc(O)c(CN2CCc3ncc(Cl)cc3C2)c1 ZINC001232678343 777638986 /nfs/dbraw/zinc/63/89/86/777638986.db2.gz VWQPKOAYOLRXJC-UHFFFAOYSA-N 0 1 299.761 2.871 20 30 CFEDMN N#CCOc1cccc(NC(=O)c2cccc3cn[nH]c32)c1 ZINC000108648834 777651680 /nfs/dbraw/zinc/65/16/80/777651680.db2.gz AKSKZZXPICKRKU-UHFFFAOYSA-N 0 1 292.298 2.718 20 30 CFEDMN CC#CCN1CC[C@H](NC(=O)c2cc(C)cs2)[C@H]1CC ZINC001087565021 777658503 /nfs/dbraw/zinc/65/85/03/777658503.db2.gz GOENUZRCPHDDIQ-UONOGXRCSA-N 0 1 290.432 2.663 20 30 CFEDMN Oc1cccc(CN2CCC(S)CC2)c1Cl ZINC001232788325 777669107 /nfs/dbraw/zinc/66/91/07/777669107.db2.gz NJUUDGHLNWEQRS-UHFFFAOYSA-N 0 1 257.786 2.940 20 30 CFEDMN CC#CCN1CC[C@H](NC(=O)[C@H]2CCC(C)(C)C2)[C@H]1CC ZINC001087717226 777685077 /nfs/dbraw/zinc/68/50/77/777685077.db2.gz WWMVWGKPWBAGDC-HRCADAONSA-N 0 1 290.451 2.805 20 30 CFEDMN Cc1cccnc1O[C@H]1CC[N@@H+](Cc2ccc(C#N)s2)C1 ZINC001232845214 777691623 /nfs/dbraw/zinc/69/16/23/777691623.db2.gz PFJKKMLKVHTVAL-ZDUSSCGKSA-N 0 1 299.399 2.977 20 30 CFEDMN Cc1cccnc1O[C@H]1CCN(Cc2ccc(C#N)s2)C1 ZINC001232845214 777691632 /nfs/dbraw/zinc/69/16/32/777691632.db2.gz PFJKKMLKVHTVAL-ZDUSSCGKSA-N 0 1 299.399 2.977 20 30 CFEDMN CC#CCN1CC[C@H](NC(=O)[C@@H]2CC23CCCC3)[C@H]1CC ZINC001087785723 777699192 /nfs/dbraw/zinc/69/91/92/777699192.db2.gz UKVVKYNPBWVBTA-HRCADAONSA-N 0 1 288.435 2.559 20 30 CFEDMN C[C@H]1CCN(Cc2cc(F)ccc2C#N)CC[C@@]1(C)O ZINC001232889001 777709059 /nfs/dbraw/zinc/70/90/59/777709059.db2.gz YQMZHFLMVSXYQA-BLLLJJGKSA-N 0 1 276.355 2.680 20 30 CFEDMN C[N@@H+](Cc1ccc(Br)c(C#N)c1)[C@@H]1CCOC1 ZINC001232894831 777709863 /nfs/dbraw/zinc/70/98/63/777709863.db2.gz FFPKOCBHSNCRGP-GFCCVEGCSA-N 0 1 295.180 2.541 20 30 CFEDMN N#C[C@H]1CCCN(Cc2ccc3ncoc3c2)CC1 ZINC001232942928 777730311 /nfs/dbraw/zinc/73/03/11/777730311.db2.gz PGVAWVUFJLSTSX-LBPRGKRZSA-N 0 1 255.321 2.953 20 30 CFEDMN Cc1ccc(CN2C[C@H]3[C@H](CC3(F)F)C2)c(C#N)c1 ZINC001232963382 777741222 /nfs/dbraw/zinc/74/12/22/777741222.db2.gz FTVMLAMZFBJHGB-KGLIPLIRSA-N 0 1 262.303 2.954 20 30 CFEDMN C=C[C@](C)(CC)C(=O)N1C[C@H]2CC[C@@H](C1)N2CCCF ZINC001029454243 777742273 /nfs/dbraw/zinc/74/22/73/777742273.db2.gz WOQFWRDJEYHCJI-IJEWVQPXSA-N 0 1 282.403 2.624 20 30 CFEDMN CC#CC[C@H](CC)Oc1nc(=O)[nH]c(C)c1Cl ZINC001227111836 777765877 /nfs/dbraw/zinc/76/58/77/777765877.db2.gz RFNZTUHAXYDAIN-VIFPVBQESA-N 0 1 254.717 2.715 20 30 CFEDMN C[C@@H]1CCCN1Cc1ccc(N(C)C)c(C#N)c1F ZINC001233097532 777794945 /nfs/dbraw/zinc/79/49/45/777794945.db2.gz TXJIUSKEBQMRMH-LLVKDONJSA-N 0 1 261.344 2.748 20 30 CFEDMN C=CC(C)(C)C(=O)N1C[C@H]2CCN(C/C=C\Cl)C[C@H]2C1 ZINC001088066241 777801699 /nfs/dbraw/zinc/80/16/99/777801699.db2.gz CKHGFGXUYUREJM-RKWPFYGESA-N 0 1 296.842 2.731 20 30 CFEDMN N#C[C@@H]1CCCN(Cc2[nH]nc3cc(F)ccc32)CC1 ZINC001233123625 777802224 /nfs/dbraw/zinc/80/22/24/777802224.db2.gz ZTWFWSXZYBPIAE-LLVKDONJSA-N 0 1 272.327 2.828 20 30 CFEDMN Cc1c[nH]c(=O)c(CN(CCC#N)C2CCCC2)c1 ZINC001233192568 777824650 /nfs/dbraw/zinc/82/46/50/777824650.db2.gz IMFILMWKYUXACL-UHFFFAOYSA-N 0 1 259.353 2.754 20 30 CFEDMN N#C[C@@H]1C[C@H]2CC[C@@H](C1)N2Cc1cnn2ccccc12 ZINC001233239740 777840870 /nfs/dbraw/zinc/84/08/70/777840870.db2.gz RNWLXDZHDBKPSI-XMQYKBBCSA-N 0 1 266.348 2.601 20 30 CFEDMN O=C1C=C2C[N@@H+](Cc3ccc([S-])cc3)CC[C@H]2S1 ZINC001233259562 777849592 /nfs/dbraw/zinc/84/95/92/777849592.db2.gz XKUJOOHPMPYNMS-CYBMUJFWSA-N 0 1 277.414 2.749 20 30 CFEDMN O=C1C=C2C[N@H+](Cc3ccc([S-])cc3)CCC2S1 ZINC001233259562 777849598 /nfs/dbraw/zinc/84/95/98/777849598.db2.gz XKUJOOHPMPYNMS-CYBMUJFWSA-N 0 1 277.414 2.749 20 30 CFEDMN O=C1C=C2C[N@@H+](Cc3ccc([S-])cc3)CCC2S1 ZINC001233259562 777849605 /nfs/dbraw/zinc/84/96/05/777849605.db2.gz XKUJOOHPMPYNMS-CYBMUJFWSA-N 0 1 277.414 2.749 20 30 CFEDMN N#Cc1ccc(C[N@H+]2CC[C@H](F)C(F)(F)CC2)c([O-])c1 ZINC001233383559 777925965 /nfs/dbraw/zinc/92/59/65/777925965.db2.gz MLQBBZBADRDMCM-ZDUSSCGKSA-N 0 1 284.281 2.833 20 30 CFEDMN N#Cc1ccc(C[N@H+]2CCC[C@@H]2c2cccnc2)c([O-])c1 ZINC001233383708 777927649 /nfs/dbraw/zinc/92/76/49/777927649.db2.gz SLKVTOXSIOPLEP-MRXNPFEDSA-N 0 1 279.343 2.996 20 30 CFEDMN N#Cc1ccc(C[N@H+]2CC[C@H]3CCC[C@@H]3C2)c([O-])c1 ZINC001233384510 777928325 /nfs/dbraw/zinc/92/83/25/777928325.db2.gz YCRYHRMHHJMPMH-ZIAGYGMSSA-N 0 1 256.349 2.886 20 30 CFEDMN N#Cc1cc(F)ccc1CN1CCCCC[C@@H]1CCO ZINC000342049863 777938723 /nfs/dbraw/zinc/93/87/23/777938723.db2.gz QAIZXUMXELTBNO-MRXNPFEDSA-N 0 1 276.355 2.824 20 30 CFEDMN C=C1O[C@H](C)C(=O)C1Oc1c(F)ccc(OC)c1F ZINC001227850438 777942721 /nfs/dbraw/zinc/94/27/21/777942721.db2.gz IHPGNWLHVFOBGP-ZCFIWIBFSA-N 0 1 270.231 2.572 20 30 CFEDMN C=CCN(Cc1ccccc1)Cc1cc(O)c(O)cc1O ZINC001233486294 777964315 /nfs/dbraw/zinc/96/43/15/777964315.db2.gz HIMNBLBPRHDVEW-UHFFFAOYSA-N 0 1 285.343 2.992 20 30 CFEDMN C[C@@H](Oc1n[nH]c(=O)cc1Cl)c1ccccc1C#N ZINC001233589503 778000483 /nfs/dbraw/zinc/00/04/83/778000483.db2.gz JWQZVSCUVXSXPB-MRVPVSSYSA-N 0 1 275.695 2.847 20 30 CFEDMN C=CCCOCCCCC(=O)N(C)C[C@H]1CC[N@@H+]1C(C)C ZINC001234275740 778198726 /nfs/dbraw/zinc/19/87/26/778198726.db2.gz FOEIUBONSNFKTC-MRXNPFEDSA-N 0 1 296.455 2.691 20 30 CFEDMN N#Cc1ccc2nc(=O)[nH]c(OC3CCC(C#N)CC3)c2c1 ZINC001234516475 778240823 /nfs/dbraw/zinc/24/08/23/778240823.db2.gz VARJKTZZEGCGOO-UHFFFAOYSA-N 0 1 294.314 2.668 20 30 CFEDMN C=CC(C)(C)CC(=O)N(C)C[C@@H]1CCN1CCOC(C)C ZINC001234554592 778252422 /nfs/dbraw/zinc/25/24/22/778252422.db2.gz LCOLHONHONZPRQ-HNNXBMFYSA-N 0 1 296.455 2.546 20 30 CFEDMN C=CCC[C@H](C)[N@H+]1CC[C@@H]1CN(C)C(=O)c1ccns1 ZINC001234604377 778262282 /nfs/dbraw/zinc/26/22/82/778262282.db2.gz OYBRLLYXMAMWFD-QWHCGFSZSA-N 0 1 293.436 2.644 20 30 CFEDMN C=CCC[C@H](C)N1CC[C@@H]1CN(C)C(=O)c1ccns1 ZINC001234604377 778262292 /nfs/dbraw/zinc/26/22/92/778262292.db2.gz OYBRLLYXMAMWFD-QWHCGFSZSA-N 0 1 293.436 2.644 20 30 CFEDMN CC(C)[NH+]1CCC(Oc2ccccc2C=N[O-])CC1 ZINC001234819465 778301472 /nfs/dbraw/zinc/30/14/72/778301472.db2.gz LWDKJYFYQIUONM-UHFFFAOYSA-N 0 1 262.353 2.746 20 30 CFEDMN CC(C)[N@@H+]1CCC[C@H](Oc2ccccc2C=N[O-])C1 ZINC001234820660 778301713 /nfs/dbraw/zinc/30/17/13/778301713.db2.gz XXHVSIQJRMMUAR-AWEZNQCLSA-N 0 1 262.353 2.746 20 30 CFEDMN CC(C)[N@H+]1CCC[C@H](Oc2ccccc2C=N[O-])C1 ZINC001234820660 778301721 /nfs/dbraw/zinc/30/17/21/778301721.db2.gz XXHVSIQJRMMUAR-AWEZNQCLSA-N 0 1 262.353 2.746 20 30 CFEDMN CCC1=C(Oc2nc3sccc3[nH]2)C(=O)[C@@H](C)O1 ZINC001234847866 778307835 /nfs/dbraw/zinc/30/78/35/778307835.db2.gz MJNMPWOZXYXOMZ-ZCFIWIBFSA-N 0 1 264.306 2.613 20 30 CFEDMN C=CCN1CC[C@H](NC(=O)c2cc3c(o2)CCCC3)[C@H]1C ZINC001088614196 778342950 /nfs/dbraw/zinc/34/29/50/778342950.db2.gz YHYQYPLERHVTCZ-OCCSQVGLSA-N 0 1 288.391 2.537 20 30 CFEDMN C=CC1(CC(=O)N(C)CCN(C)CC#CC)CCCCC1 ZINC001272131755 778361046 /nfs/dbraw/zinc/36/10/46/778361046.db2.gz KYFJFVYGIKONBR-UHFFFAOYSA-N 0 1 290.451 2.927 20 30 CFEDMN C#CCN(C)CCN(C)C(=O)C[C@H]1C[C@H](C)CC(C)(C)C1 ZINC001272138411 778361626 /nfs/dbraw/zinc/36/16/26/778361626.db2.gz VBLBVVKHOULRMN-JKSUJKDBSA-N 0 1 292.467 2.862 20 30 CFEDMN C=C1O[C@@H](CC)C(=O)C1OCc1nc(C)c(C)nc1C ZINC001224148885 778450750 /nfs/dbraw/zinc/45/07/50/778450750.db2.gz LZOJMFQISAQVAS-ZDUSSCGKSA-N 0 1 276.336 2.528 20 30 CFEDMN CCCC[C@H](CC)C[N@H+]1CCO[C@H]2CN(CCC#N)C[C@H]21 ZINC001277936870 778456069 /nfs/dbraw/zinc/45/60/69/778456069.db2.gz SGHAZPAWCHMRIM-BBWFWOEESA-N 0 1 293.455 2.501 20 30 CFEDMN CCCC[C@H](CC)CN1CCO[C@H]2CN(CCC#N)C[C@H]21 ZINC001277936870 778456070 /nfs/dbraw/zinc/45/60/70/778456070.db2.gz SGHAZPAWCHMRIM-BBWFWOEESA-N 0 1 293.455 2.501 20 30 CFEDMN C#CCN1CC[C@H](NC(=O)c2ccc(CCCC)cc2)[C@H]1C ZINC001088722092 778458478 /nfs/dbraw/zinc/45/84/78/778458478.db2.gz JIRYOXRQWUJCJP-QAPCUYQASA-N 0 1 298.430 2.855 20 30 CFEDMN Cc1ccc(CNCCNC(=O)C#CC(C)C)c(Cl)c1 ZINC001126815771 778470406 /nfs/dbraw/zinc/47/04/06/778470406.db2.gz LORMRACFBUSDOJ-UHFFFAOYSA-N 0 1 292.810 2.514 20 30 CFEDMN C=CCCO[C@H]1CCN(Cc2ccccc2C#N)C1 ZINC001224339630 778474608 /nfs/dbraw/zinc/47/46/08/778474608.db2.gz RLZWETIRRMQGJB-INIZCTEOSA-N 0 1 256.349 2.725 20 30 CFEDMN CCOc1cc(O)cc(CN2CCC(S)CC2)c1 ZINC001235409725 778479661 /nfs/dbraw/zinc/47/96/61/778479661.db2.gz OTPGFEFWMMFMQJ-UHFFFAOYSA-N 0 1 267.394 2.685 20 30 CFEDMN C=CCN1CC[C@H](NC(=O)c2cc3ccc(C)cc3[nH]2)[C@H]1C ZINC001088778366 778488128 /nfs/dbraw/zinc/48/81/28/778488128.db2.gz YIOQYENKWZNZMX-HIFRSBDPSA-N 0 1 297.402 2.855 20 30 CFEDMN C=CCN1CC[C@H](NC(=O)C(C)(C)c2cccs2)[C@H]1C ZINC001088792773 778496087 /nfs/dbraw/zinc/49/60/87/778496087.db2.gz GRSZKJLORIYXHG-OLZOCXBDSA-N 0 1 292.448 2.791 20 30 CFEDMN N#CCc1ccccc1CN1CCC(O)(C(F)(F)F)CC1 ZINC001235511021 778508948 /nfs/dbraw/zinc/50/89/48/778508948.db2.gz DQYISRVIAWFFMM-UHFFFAOYSA-N 0 1 298.308 2.642 20 30 CFEDMN CN1CCN(Cc2ccccc2CC#N)Cc2cccnc21 ZINC001235519537 778510088 /nfs/dbraw/zinc/51/00/88/778510088.db2.gz VGGFSGHHRGBEMK-UHFFFAOYSA-N 0 1 292.386 2.600 20 30 CFEDMN N#CCc1ccccc1CN1CC2(C1)C[C@@H](F)CS2 ZINC001235527603 778512081 /nfs/dbraw/zinc/51/20/81/778512081.db2.gz KGCGJARCANRIAT-CQSZACIVSA-N 0 1 276.380 2.782 20 30 CFEDMN CCCCCCCCN(C)CC1=CS[C@H](N)N1 ZINC001235663402 778530486 /nfs/dbraw/zinc/53/04/86/778530486.db2.gz IZVLTKZPKNITPU-CYBMUJFWSA-N 0 1 257.447 2.699 20 30 CFEDMN C#C[C@H]1CCCN(Cc2nc3ccc(F)cc3[nH]2)C1 ZINC001235692415 778538996 /nfs/dbraw/zinc/53/89/96/778538996.db2.gz AZJLUMQQDRJYHF-NSHDSACASA-N 0 1 257.312 2.547 20 30 CFEDMN C#CCN1C[C@@H]2CCN(C(=O)C3CCCCCCC3)[C@@H]2C1 ZINC001076024985 778559364 /nfs/dbraw/zinc/55/93/64/778559364.db2.gz HXVKVIHIMNGHCV-DLBZAZTESA-N 0 1 288.435 2.513 20 30 CFEDMN C=CCCN1CC[C@H]1CNC(=O)c1c(F)cc(C)cc1F ZINC001038500706 778571625 /nfs/dbraw/zinc/57/16/25/778571625.db2.gz IREPDAHCSTXYCI-LBPRGKRZSA-N 0 1 294.345 2.653 20 30 CFEDMN C=CCN1C[C@@H]2CCN(C(=O)c3ccc(C(F)F)o3)[C@@H]2C1 ZINC001076512843 778593184 /nfs/dbraw/zinc/59/31/84/778593184.db2.gz RBOMDEIUWZWKAY-WDEREUQCSA-N 0 1 296.317 2.550 20 30 CFEDMN CCOc1ccccc1NC(=O)C(C#N)C(=O)c1ccco1 ZINC000128899354 778633372 /nfs/dbraw/zinc/63/33/72/778633372.db2.gz AUWYCANDPYADRT-LLVKDONJSA-N 0 1 298.298 2.639 20 30 CFEDMN N#Cc1cc(Nc2ccncc2Cl)c(O)cc1F ZINC001212159971 778779295 /nfs/dbraw/zinc/77/92/95/778779295.db2.gz GDQIYBLTKJKVKB-UHFFFAOYSA-N 0 1 263.659 2.617 20 30 CFEDMN C=CCn1cccc1C(=O)NC1CN(CC(CC)CC)C1 ZINC001030448030 778873470 /nfs/dbraw/zinc/87/34/70/778873470.db2.gz XXCKEYOKBJKIOG-UHFFFAOYSA-N 0 1 289.423 2.524 20 30 CFEDMN C=Cc1ccc(C(=O)N[C@H]2CCN(CC#CC)[C@@H]2C)cc1 ZINC001088874202 778929728 /nfs/dbraw/zinc/92/97/28/778929728.db2.gz PVSCBODDFAIIRE-PBHICJAKSA-N 0 1 282.387 2.546 20 30 CFEDMN CC#CCN1CC[C@H](NC(=O)c2c(C)cccc2C)[C@H]1C ZINC001088876533 778930712 /nfs/dbraw/zinc/93/07/12/778930712.db2.gz RUTYHSDBULFDCE-CVEARBPZSA-N 0 1 284.403 2.519 20 30 CFEDMN C=CCN1CC[C@H](NC(=O)c2ccc(Cl)c(F)c2)[C@H]1C ZINC001088877279 778932818 /nfs/dbraw/zinc/93/28/18/778932818.db2.gz IDTZHGBXXVGUGN-YGRLFVJLSA-N 0 1 296.773 2.858 20 30 CFEDMN C#CCN1CC[C@H](NC(=O)c2ccc3sccc3c2)[C@H]1C ZINC001088951218 778959398 /nfs/dbraw/zinc/95/93/98/778959398.db2.gz FSEULCNSBLSHAW-DOMZBBRYSA-N 0 1 298.411 2.727 20 30 CFEDMN CC#CC[N@H+]1CC[C@H](NC(=O)c2cc(C)ccc2C)[C@H]1C ZINC001089004101 778972916 /nfs/dbraw/zinc/97/29/16/778972916.db2.gz XZRLLLRLDGGZBW-WBVHZDCISA-N 0 1 284.403 2.519 20 30 CFEDMN CC#CCN1CC[C@H](NC(=O)c2cc(C)ccc2C)[C@H]1C ZINC001089004101 778972925 /nfs/dbraw/zinc/97/29/25/778972925.db2.gz XZRLLLRLDGGZBW-WBVHZDCISA-N 0 1 284.403 2.519 20 30 CFEDMN C#CCCN1CC[C@H](NC(=O)c2ccc(Cl)s2)[C@H]1C ZINC001089020430 778975705 /nfs/dbraw/zinc/97/57/05/778975705.db2.gz KAVGWIHSWLTZRM-MNOVXSKESA-N 0 1 296.823 2.617 20 30 CFEDMN C=CCN1CC[C@H](NC(=O)C23CC(C(C)(C)C)(C2)C3)[C@H]1C ZINC001089069052 778986967 /nfs/dbraw/zinc/98/69/67/778986967.db2.gz KCRALHRXELWNNQ-LHVTWPBJSA-N 0 1 290.451 2.968 20 30 CFEDMN C=CCN1CC[C@H](NC(=O)C2(C)C(C)(C)C2(C)C)[C@H]1C ZINC001089082962 778990282 /nfs/dbraw/zinc/99/02/82/778990282.db2.gz PZQLATKFXZBBJC-OLZOCXBDSA-N 0 1 278.440 2.824 20 30 CFEDMN C#CCCCCC(=O)NC1(C)CCN(C/C=C\Cl)CC1 ZINC001278045371 778999212 /nfs/dbraw/zinc/99/92/12/778999212.db2.gz CTSVBEJMKYCVRV-XFFZJAGNSA-N 0 1 296.842 2.903 20 30 CFEDMN CCN(CCCC(=O)OC)Cc1ccc(C)cc1C#N ZINC001232961659 778999568 /nfs/dbraw/zinc/99/95/68/778999568.db2.gz BYPMIDJUECSXHA-UHFFFAOYSA-N 0 1 274.364 2.642 20 30 CFEDMN CCO[C@H]1CCCN(Cc2ccc(C)cc2C#N)C1 ZINC001232966531 779000717 /nfs/dbraw/zinc/00/07/17/779000717.db2.gz PLIVKPIXLBVUSY-INIZCTEOSA-N 0 1 258.365 2.868 20 30 CFEDMN N#Cc1cc[nH]c1CN1CC[C@@H](c2ccccc2)C1 ZINC001233046604 779009678 /nfs/dbraw/zinc/00/96/78/779009678.db2.gz ZPQMDFPNTQZNQA-OAHLLOKOSA-N 0 1 251.333 2.876 20 30 CFEDMN C#CCCN1CC[C@@H]1CNC(=O)c1csc2ccccc12 ZINC001038566968 779010182 /nfs/dbraw/zinc/01/01/82/779010182.db2.gz QTABNFCNPYIUEL-CYBMUJFWSA-N 0 1 298.411 2.729 20 30 CFEDMN CN(Cc1ccc(C#N)cc1)Cc1ccccc1OCCO ZINC001237200586 779048026 /nfs/dbraw/zinc/04/80/26/779048026.db2.gz MXNYIJKEBUVRAG-UHFFFAOYSA-N 0 1 296.370 2.561 20 30 CFEDMN Cc1ccc(CN2CCNC3=CCCC[C@@H]32)c(C#N)c1 ZINC001237229731 779057431 /nfs/dbraw/zinc/05/74/31/779057431.db2.gz PADPSOBHNRDVTE-KRWDZBQOSA-N 0 1 267.376 2.708 20 30 CFEDMN N#C[C@@H]1CN(Cc2ccc3nccc(Cl)c3c2)CCC1=O ZINC001237270235 779061946 /nfs/dbraw/zinc/06/19/46/779061946.db2.gz OFYRUJNCDIRXRX-GFCCVEGCSA-N 0 1 299.761 2.803 20 30 CFEDMN CC(=O)Nc1ccccc1CN1CCC[C@H](C#N)CC1 ZINC001237411637 779101318 /nfs/dbraw/zinc/10/13/18/779101318.db2.gz AQJJUWPPFHNMLB-AWEZNQCLSA-N 0 1 271.364 2.771 20 30 CFEDMN N#C[C@H]1CN(Cc2cccc(-c3ccccc3)n2)CCC1=O ZINC001237547682 779131155 /nfs/dbraw/zinc/13/11/55/779131155.db2.gz WCHBLRRWDJGLCV-HNNXBMFYSA-N 0 1 291.354 2.663 20 30 CFEDMN Cc1ccc(C#N)c(NC(=O)[C@]23C[C@H]2CCN3CC(C)C)c1 ZINC001278114404 779134788 /nfs/dbraw/zinc/13/47/88/779134788.db2.gz VDDOBMSJBMOAQI-QAPCUYQASA-N 0 1 297.402 2.926 20 30 CFEDMN Cc1ccc(C#N)c(NC(=O)[C@@]23C[C@@H]2CCN3CC(C)C)c1 ZINC001278114403 779134809 /nfs/dbraw/zinc/13/48/09/779134809.db2.gz VDDOBMSJBMOAQI-MAUKXSAKSA-N 0 1 297.402 2.926 20 30 CFEDMN C[C@@H]1CCCCN1Cc1cn2cc(C#N)ccc2n1 ZINC001237604558 779140371 /nfs/dbraw/zinc/14/03/71/779140371.db2.gz OVHDUKIIKPPUBI-GFCCVEGCSA-N 0 1 254.337 2.580 20 30 CFEDMN CCCCCN(C)Cc1cn2cc(C#N)ccc2n1 ZINC001237602551 779140940 /nfs/dbraw/zinc/14/09/40/779140940.db2.gz CTXOZKUULWQOQH-UHFFFAOYSA-N 0 1 256.353 2.828 20 30 CFEDMN C#C[C@@H]1CCCN(Cc2ccnc(OC(F)F)c2)C1 ZINC001237622761 779147398 /nfs/dbraw/zinc/14/73/98/779147398.db2.gz TZMWGLQBRRFKFP-LLVKDONJSA-N 0 1 266.291 2.528 20 30 CFEDMN N#C[C@@H]1C[C@H](F)CN1Cc1cc(Cl)cc(F)c1O ZINC001237622845 779147508 /nfs/dbraw/zinc/14/75/08/779147508.db2.gz DDXPWZSGKFUGRD-UWVGGRQHSA-N 0 1 272.682 2.621 20 30 CFEDMN C=CCN1C[C@@]2(CC1=O)CCCCN2CCC(F)(F)F ZINC001272502438 779149391 /nfs/dbraw/zinc/14/93/91/779149391.db2.gz NZUJWNXDFUIULI-ZDUSSCGKSA-N 0 1 290.329 2.582 20 30 CFEDMN C[C@H]1CC[C@H](CO)CN1Cc1cc(Cl)cc(C#N)c1 ZINC001237746400 779173509 /nfs/dbraw/zinc/17/35/09/779173509.db2.gz MHRDZHXJNDVAIE-RYUDHWBXSA-N 0 1 278.783 2.804 20 30 CFEDMN N#Cc1cc(Cl)cc(CN2CCCC3(COC3)C2)c1 ZINC001237748907 779174568 /nfs/dbraw/zinc/17/45/68/779174568.db2.gz NVUPGWGZLBDWJP-UHFFFAOYSA-N 0 1 276.767 2.824 20 30 CFEDMN C#CCN1CC(C)(C)CC[C@H]1CNC(=O)C1(CC)CCC1 ZINC001099188787 779193944 /nfs/dbraw/zinc/19/39/44/779193944.db2.gz JXPWRLHGGWAPAT-HNNXBMFYSA-N 0 1 290.451 2.807 20 30 CFEDMN C#C[C@H]1CCCN(Cc2ccccc2C(=O)OCC)C1 ZINC001237893045 779202180 /nfs/dbraw/zinc/20/21/80/779202180.db2.gz SYSVIYJJLVKURU-AWEZNQCLSA-N 0 1 271.360 2.709 20 30 CFEDMN CC1(C#N)CN(Cc2cc(F)c(O)c(Cl)c2)C1 ZINC001237983029 779220911 /nfs/dbraw/zinc/22/09/11/779220911.db2.gz CJCQVXCHHYMDQT-UHFFFAOYSA-N 0 1 254.692 2.530 20 30 CFEDMN N#C[C@@H]1CCCN1Cc1cc(F)c(O)c(Cl)c1 ZINC001237988845 779222229 /nfs/dbraw/zinc/22/22/29/779222229.db2.gz GRZHMNGVWKAEBI-VIFPVBQESA-N 0 1 254.692 2.673 20 30 CFEDMN N#CCCN(CCC#N)Cc1cc(F)c(O)c(Cl)c1 ZINC001237998967 779226509 /nfs/dbraw/zinc/22/65/09/779226509.db2.gz ZGTFTZGSMHEVDE-UHFFFAOYSA-N 0 1 281.718 2.814 20 30 CFEDMN C[C@@H]1CN(Cc2ccc(C#N)cc2Cl)CCC[C@@H]1O ZINC001238080815 779247967 /nfs/dbraw/zinc/24/79/67/779247967.db2.gz ZTUMQHYGIUROPT-ABAIWWIYSA-N 0 1 278.783 2.804 20 30 CFEDMN N#Cc1ccc(CN2CCCC[C@@](O)(CF)C2)c(Cl)c1 ZINC001238080820 779248533 /nfs/dbraw/zinc/24/85/33/779248533.db2.gz ZUDNAKIUWKQPED-OAHLLOKOSA-N 0 1 296.773 2.898 20 30 CFEDMN C=C(C)CN1CC[C@@]2(CCCN2Cc2ccc(C)o2)C1=O ZINC001272588312 779250957 /nfs/dbraw/zinc/25/09/57/779250957.db2.gz UDUYLRBFUSSVFN-KRWDZBQOSA-N 0 1 288.391 2.731 20 30 CFEDMN C[C@]1(O)CCCCN(Cc2ccc(Cl)c(C#N)c2)C1 ZINC001238188661 779273472 /nfs/dbraw/zinc/27/34/72/779273472.db2.gz GTWVLWBSXIXABK-HNNXBMFYSA-N 0 1 278.783 2.949 20 30 CFEDMN COC(=O)C[C@@H]1CCCN1Cc1ccc(Cl)c(C#N)c1 ZINC001238190273 779275285 /nfs/dbraw/zinc/27/52/85/779275285.db2.gz BXOJJQOYZNYBAZ-ZDUSSCGKSA-N 0 1 292.766 2.739 20 30 CFEDMN C#C[C@@H]1CCCN(Cc2c(F)cc(C)cc2OC)C1 ZINC001238592324 779346185 /nfs/dbraw/zinc/34/61/85/779346185.db2.gz SJFRSZQMHHCYEK-CYBMUJFWSA-N 0 1 261.340 2.988 20 30 CFEDMN C=C(C)CN1CC[C@](C)(NC(=O)c2c(C)nsc2C)C1 ZINC001046859678 779397550 /nfs/dbraw/zinc/39/75/50/779397550.db2.gz XIJFHWPFOVMPRG-HNNXBMFYSA-N 0 1 293.436 2.530 20 30 CFEDMN COc1cccc(-c2cc3[nH]cnc3c(C#N)n2)c1C ZINC001238979358 779431594 /nfs/dbraw/zinc/43/15/94/779431594.db2.gz FSMLERXTANESMX-UHFFFAOYSA-N 0 1 264.288 2.814 20 30 CFEDMN C#CCN1CC(C)(C)CC[C@H]1CNC(=O)C[C@H](C)C1CC1 ZINC001099358376 779516358 /nfs/dbraw/zinc/51/63/58/779516358.db2.gz GKTYGTSGZDWJAF-HOCLYGCPSA-N 0 1 290.451 2.663 20 30 CFEDMN C=C(C)CN1CC(CNC(=O)[C@@H]2CCCC3(CC3)C2)C1 ZINC001031668030 779523545 /nfs/dbraw/zinc/52/35/45/779523545.db2.gz VPNDEPWWNHBRAS-OAHLLOKOSA-N 0 1 276.424 2.581 20 30 CFEDMN C=C(C)CN1CC(CNC(=O)c2scc(C)c2Cl)C1 ZINC001031694908 779530493 /nfs/dbraw/zinc/53/04/93/779530493.db2.gz DBUWYKBBUXXIJA-UHFFFAOYSA-N 0 1 298.839 2.948 20 30 CFEDMN C#CCN1CC(C)(C)CC[C@H]1CNC(=O)c1ccccc1C ZINC001089603335 779540191 /nfs/dbraw/zinc/54/01/91/779540191.db2.gz ONVOAVDPAIDCOV-INIZCTEOSA-N 0 1 298.430 2.849 20 30 CFEDMN CC#CCN1CC(C)(C)CC[C@H]1CNC(=O)[C@@H]1CC1(C)C ZINC001089630332 779548183 /nfs/dbraw/zinc/54/81/83/779548183.db2.gz FSWOGTVFMVGTMY-GJZGRUSLSA-N 0 1 290.451 2.663 20 30 CFEDMN CNc1ccc(-c2nccc3[nH]cc(C#N)c32)c(F)n1 ZINC001239408362 779552549 /nfs/dbraw/zinc/55/25/49/779552549.db2.gz HGBBTGPMACEHLR-UHFFFAOYSA-N 0 1 267.267 2.677 20 30 CFEDMN CC(C)NC(=O)C(C#N)C(=O)CCCC1CCCCC1 ZINC000130822927 779570693 /nfs/dbraw/zinc/57/06/93/779570693.db2.gz CVKYWGPYLQFDCG-CQSZACIVSA-N 0 1 278.396 2.970 20 30 CFEDMN CC#CCN1CC(C)(C)CC[C@H]1CNC(=O)[C@@H]1C[C@H]1CC ZINC001089695274 779570708 /nfs/dbraw/zinc/57/07/08/779570708.db2.gz HFQIGCLMLIBCKW-OWCLPIDISA-N 0 1 290.451 2.663 20 30 CFEDMN C=C(C)CN1CC(CNC(=O)c2cc(C)c(F)cc2F)C1 ZINC001031762314 779592568 /nfs/dbraw/zinc/59/25/68/779592568.db2.gz ZYCDRAAFJHVGLZ-UHFFFAOYSA-N 0 1 294.345 2.511 20 30 CFEDMN C=C(C)CN1CC(CNC(=O)[C@H]2CCC=CCCC2)C1 ZINC001031763807 779593216 /nfs/dbraw/zinc/59/32/16/779593216.db2.gz ZPGRJTKOKYANCM-INIZCTEOSA-N 0 1 276.424 2.747 20 30 CFEDMN Cn1cc(-c2cc3[nH]cnc3c(C#N)n2)c2ccccc21 ZINC001239524976 779606850 /nfs/dbraw/zinc/60/68/50/779606850.db2.gz YRASJZMCHAHQQY-UHFFFAOYSA-N 0 1 273.299 2.988 20 30 CFEDMN C=C(C)CN1CC(CNC(=O)[C@H]2CCC[C@H]2CCC)C1 ZINC001031795267 779610688 /nfs/dbraw/zinc/61/06/88/779610688.db2.gz QTVUDJRYABHXPQ-CVEARBPZSA-N 0 1 278.440 2.827 20 30 CFEDMN Cc1ccc(CCCC(=O)C(C#N)C(=O)NC(C)C)cc1 ZINC000130942653 779647865 /nfs/dbraw/zinc/64/78/65/779647865.db2.gz FYWHXPMOCGMOSI-HNNXBMFYSA-N 0 1 286.375 2.551 20 30 CFEDMN C=C(Cl)CNCCNC(=O)[C@@H]1C[C@H]1CC(C)(C)C ZINC001127670928 779655418 /nfs/dbraw/zinc/65/54/18/779655418.db2.gz WTTXQUVGVCREMJ-NWDGAFQWSA-N 0 1 272.820 2.517 20 30 CFEDMN C=C(C)CN1CC(CNC(=O)c2ccc(C)c(Cl)c2)C1 ZINC001031948025 779681469 /nfs/dbraw/zinc/68/14/69/779681469.db2.gz UDBCEJIZJMHHDR-UHFFFAOYSA-N 0 1 292.810 2.886 20 30 CFEDMN C[C@@H]1CCN(Cc2ccnc(C#N)c2)CCC1(F)F ZINC001237459981 779688485 /nfs/dbraw/zinc/68/84/85/779688485.db2.gz YHKVDRKGDCGTHU-LLVKDONJSA-N 0 1 265.307 2.820 20 30 CFEDMN C=CCN1CC(CNC(=O)c2cccc(C3CCC3)c2)C1 ZINC001032128775 779743515 /nfs/dbraw/zinc/74/35/15/779743515.db2.gz JPEBXAKSYULFDC-UHFFFAOYSA-N 0 1 284.403 2.802 20 30 CFEDMN C=C(C)CN1CC(CNC(=O)c2cc(C)ccc2C)C1 ZINC001032151882 779748371 /nfs/dbraw/zinc/74/83/71/779748371.db2.gz ZDDLKUNRWWTAPU-UHFFFAOYSA-N 0 1 272.392 2.541 20 30 CFEDMN C=C(C)CN1CC(CNC(=O)C2CCC(C3CC3)CC2)C1 ZINC001032162489 779749715 /nfs/dbraw/zinc/74/97/15/779749715.db2.gz GUFSWWNGHNZQAE-UHFFFAOYSA-N 0 1 290.451 2.827 20 30 CFEDMN C=CCN1CC(CNC(=O)c2ccc(CC(C)C)cc2)C1 ZINC001032177440 779751092 /nfs/dbraw/zinc/75/10/92/779751092.db2.gz QRFWDRRKTRZKAF-UHFFFAOYSA-N 0 1 286.419 2.733 20 30 CFEDMN C=CCN1CC(CNC(=O)c2c[nH]c3c2cccc3CC)C1 ZINC001032206771 779764586 /nfs/dbraw/zinc/76/45/86/779764586.db2.gz MUDUCYXIPNINSH-UHFFFAOYSA-N 0 1 297.402 2.578 20 30 CFEDMN C=C(C)CN1CC(CNC(=O)c2cc3c(cccc3C)o2)C1 ZINC001032215994 779771817 /nfs/dbraw/zinc/77/18/17/779771817.db2.gz TURYZHJTMIGDSQ-UHFFFAOYSA-N 0 1 298.386 2.979 20 30 CFEDMN C=C(C)CN1CC(CNC(=O)C2CC(c3ccccc3)C2)C1 ZINC001032221409 779774293 /nfs/dbraw/zinc/77/42/93/779774293.db2.gz IGHWUZUYGUPETG-UHFFFAOYSA-N 0 1 298.430 2.804 20 30 CFEDMN COc1ccc([C@@H](C)[C@H](C)NCCC#N)cc1OC ZINC000355129861 779846182 /nfs/dbraw/zinc/84/61/82/779846182.db2.gz IXXLQNRBHSBXLD-RYUDHWBXSA-N 0 1 262.353 2.699 20 30 CFEDMN CCCCCCCN1CCO[C@](C)(CNC(=O)C(C)C)C1 ZINC001107749941 779894243 /nfs/dbraw/zinc/89/42/43/779894243.db2.gz FSAGHKBGRWUJSR-QGZVFWFLSA-N 0 1 298.471 2.820 20 30 CFEDMN COCC#CCN[C@H](c1ccc(F)cc1F)C1CC1 ZINC001168541474 779910286 /nfs/dbraw/zinc/91/02/86/779910286.db2.gz JKMFPVZWNZSNIR-HNNXBMFYSA-N 0 1 265.303 2.655 20 30 CFEDMN C=CCCN1CCO[C@@](C)(CNC(=O)C=C(CC)CC)C1 ZINC001107863971 779914123 /nfs/dbraw/zinc/91/41/23/779914123.db2.gz LOSSPZDVZADQBH-KRWDZBQOSA-N 0 1 294.439 2.516 20 30 CFEDMN C=C(C)CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)C(C)(C)C(C)C ZINC001032420954 779949799 /nfs/dbraw/zinc/94/97/99/779949799.db2.gz BNHGRBMYNCMMQR-GJZGRUSLSA-N 0 1 278.440 2.920 20 30 CFEDMN C=C(C)CN1C[C@@H]2C[C@H]1CN2C(=O)Cc1c(C)cccc1C ZINC001032427780 779954886 /nfs/dbraw/zinc/95/48/86/779954886.db2.gz NFJWNDHXKJRJMI-IRXDYDNUSA-N 0 1 298.430 2.707 20 30 CFEDMN O/N=C/c1cc(-c2cncnc2)cc(C(F)(F)F)c1 ZINC001240377516 780121374 /nfs/dbraw/zinc/12/13/74/780121374.db2.gz ZGFLGPQLTVGUQI-JJPRUIFNSA-N 0 1 267.210 2.971 20 30 CFEDMN N#Cc1cncc(C2=CCCN(Cc3ccccc3)C2)n1 ZINC001240384694 780127348 /nfs/dbraw/zinc/12/73/48/780127348.db2.gz PMCIIIKBBQGRKD-UHFFFAOYSA-N 0 1 276.343 2.638 20 30 CFEDMN N#Cc1cnnc(C2=CCCN(Cc3ccccc3)C2)c1 ZINC001240386931 780129510 /nfs/dbraw/zinc/12/95/10/780129510.db2.gz JFCBIHLAVMBKAU-UHFFFAOYSA-N 0 1 276.343 2.638 20 30 CFEDMN N#Cc1c[nH]c2ccnc(-c3cnc4[nH]ccc4c3)c12 ZINC001240391205 780132764 /nfs/dbraw/zinc/13/27/64/780132764.db2.gz PRUKIDGKTYSBRP-UHFFFAOYSA-N 0 1 259.272 2.929 20 30 CFEDMN C=CCCN1C[C@@H]2C[C@H]1CN2C(=O)c1ccc(F)cc1C ZINC001032743507 780165896 /nfs/dbraw/zinc/16/58/96/780165896.db2.gz RCAPDTGUPQHWFP-GJZGRUSLSA-N 0 1 288.366 2.609 20 30 CFEDMN C#CCCCC(=O)NCc1cccc2c1CCN(CC=C)C2 ZINC001272917068 780211519 /nfs/dbraw/zinc/21/15/19/780211519.db2.gz MVSFCMSPLPLIFP-UHFFFAOYSA-N 0 1 296.414 2.650 20 30 CFEDMN C=CCC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)C(C)(CC)CC ZINC001032791782 780233280 /nfs/dbraw/zinc/23/32/80/780233280.db2.gz HMFCGLCUFYWAEO-KBPBESRZSA-N 0 1 264.413 2.674 20 30 CFEDMN C=CCCN1C[C@@H]2C[C@H]1CN2C(=O)C(C)(CC)CC ZINC001032791782 780233282 /nfs/dbraw/zinc/23/32/82/780233282.db2.gz HMFCGLCUFYWAEO-KBPBESRZSA-N 0 1 264.413 2.674 20 30 CFEDMN C=CC(C)(C)CC(=O)NCCNCC=C(Cl)Cl ZINC001128245628 780367786 /nfs/dbraw/zinc/36/77/86/780367786.db2.gz DBZCJKAGYAWMGS-UHFFFAOYSA-N 0 1 279.211 2.614 20 30 CFEDMN C#C[C@@H](NC(=O)c1cccc2n[nH]cc21)c1ccccc1 ZINC001143126701 780426211 /nfs/dbraw/zinc/42/62/11/780426211.db2.gz KPHYOIVJVKHIDN-OAHLLOKOSA-N 0 1 275.311 2.667 20 30 CFEDMN Cc1nsc(NC(=O)c2ccc3cncn3c2C)c1C#N ZINC001128421764 780438265 /nfs/dbraw/zinc/43/82/65/780438265.db2.gz MRSUYNQXMKDOSO-UHFFFAOYSA-N 0 1 297.343 2.532 20 30 CFEDMN C=C(C)CN1C[C@@]2(CC1=O)CCCCN2Cc1ccoc1 ZINC001272982665 780438318 /nfs/dbraw/zinc/43/83/18/780438318.db2.gz FCWVFQMOJAJGNJ-KRWDZBQOSA-N 0 1 288.391 2.813 20 30 CFEDMN C#C[C@@H](NC(=O)c1cc(F)cc(F)c1O)c1ccccc1 ZINC001143136680 780460815 /nfs/dbraw/zinc/46/08/15/780460815.db2.gz RQUSYZZYROASAV-CQSZACIVSA-N 0 1 287.265 2.775 20 30 CFEDMN CN1CCN(c2ccc(-c3cccnc3CC#N)cc2)CC1 ZINC001240854371 780479880 /nfs/dbraw/zinc/47/98/80/780479880.db2.gz HUUKGGGENOQWMZ-UHFFFAOYSA-N 0 1 292.386 2.566 20 30 CFEDMN C=CCN1CC[C@@H](N(C)C(=O)[C@@H]2CCCC3(CC3)C2)C1 ZINC001033075314 780554582 /nfs/dbraw/zinc/55/45/82/780554582.db2.gz FSUZDSVPZSPSNC-HUUCEWRRSA-N 0 1 276.424 2.676 20 30 CFEDMN C=CCN1CC[C@H](N(C)C(=O)c2sc(C)cc2C)C1 ZINC001033122373 780576053 /nfs/dbraw/zinc/57/60/53/780576053.db2.gz LHOHYANVERWIMC-ZDUSSCGKSA-N 0 1 278.421 2.697 20 30 CFEDMN C=C1O[C@@H](CC)C(=O)C1Oc1cc(F)c(F)cc1C#N ZINC001229840291 780579590 /nfs/dbraw/zinc/57/95/90/780579590.db2.gz DNBOGLYQPNWGKN-NSHDSACASA-N 0 1 279.242 2.825 20 30 CFEDMN C=CCN1CC[C@@H](N(C)C(=O)[C@H]2CCC=CCCC2)C1 ZINC001033180407 780606705 /nfs/dbraw/zinc/60/67/05/780606705.db2.gz CYGSODJZLQAODB-JKSUJKDBSA-N 0 1 276.424 2.842 20 30 CFEDMN CC#CCN1CC[C@H](N(C)C(=O)[C@H]2CCC=CCCC2)C1 ZINC001033184026 780608316 /nfs/dbraw/zinc/60/83/16/780608316.db2.gz MUERJMDMQHJWOY-IRXDYDNUSA-N 0 1 288.435 2.679 20 30 CFEDMN C=CCN1CC[C@H](N(C)C(=O)c2cc3ccc(C)cc3[nH]2)C1 ZINC001033307522 780647128 /nfs/dbraw/zinc/64/71/28/780647128.db2.gz XPDTUCTWLLHOTN-HNNXBMFYSA-N 0 1 297.402 2.809 20 30 CFEDMN C=CCN1CC[C@H](N(C)C(=O)c2cccc3ncccc32)C1 ZINC001033311099 780647143 /nfs/dbraw/zinc/64/71/43/780647143.db2.gz FCKPJMPCXJVZLL-AWEZNQCLSA-N 0 1 295.386 2.567 20 30 CFEDMN C=CCN1CC[C@@H](N(C)C(=O)c2nccc3ccccc32)C1 ZINC001033368282 780667053 /nfs/dbraw/zinc/66/70/53/780667053.db2.gz JJZQZPFFDKKVNP-OAHLLOKOSA-N 0 1 295.386 2.567 20 30 CFEDMN C=CCN1CC[C@@H](N(C)C(=O)c2cc[nH]c2C2CCC2)C1 ZINC001033418787 780676286 /nfs/dbraw/zinc/67/62/86/780676286.db2.gz CTIQCCSZWVPCSX-CQSZACIVSA-N 0 1 287.407 2.615 20 30 CFEDMN C=CCN1CC[C@@H](N(C)C(=O)[C@H]2[C@@H]3CCCCCC[C@@H]32)C1 ZINC001033446016 780683738 /nfs/dbraw/zinc/68/37/38/780683738.db2.gz DHPLSNGKJDSGPM-NCOADZHNSA-N 0 1 290.451 2.922 20 30 CFEDMN CC#CCN1CC[C@H](N(C)C(=O)CC2CCCCCC2)C1 ZINC001033461220 780688765 /nfs/dbraw/zinc/68/87/65/780688765.db2.gz XVNQDBQRZSCESH-KRWDZBQOSA-N 0 1 290.451 2.903 20 30 CFEDMN C=CCN1CC[C@@H](N(C)C(=O)c2csc(C(C)C)n2)C1 ZINC001033511762 780698844 /nfs/dbraw/zinc/69/88/44/780698844.db2.gz CLELMFVWAUFUGJ-GFCCVEGCSA-N 0 1 293.436 2.599 20 30 CFEDMN C=CCN1CC[C@H](N(C)C(=O)c2cccc3ccncc32)C1 ZINC001033547817 780710635 /nfs/dbraw/zinc/71/06/35/780710635.db2.gz LHANDORUEKCXEU-HNNXBMFYSA-N 0 1 295.386 2.567 20 30 CFEDMN C=CCN1CC[C@@H](N(C)C(=O)c2ccc3ccncc3c2)C1 ZINC001033557435 780712612 /nfs/dbraw/zinc/71/26/12/780712612.db2.gz LIMXBMOJFDVOCM-QGZVFWFLSA-N 0 1 295.386 2.567 20 30 CFEDMN C=CCN1CC[C@@H](N(C)C(=O)[C@@H](C)c2ccc(C)s2)C1 ZINC001033581374 780716605 /nfs/dbraw/zinc/71/66/05/780716605.db2.gz JXIUBJBNLNASFR-UONOGXRCSA-N 0 1 292.448 2.879 20 30 CFEDMN C=CCN1CC[C@@H](N(C)C(=O)c2ccc3c(c2)CCC=C3)C1 ZINC001033585603 780723196 /nfs/dbraw/zinc/72/31/96/780723196.db2.gz KWQPYHWCDRQIBI-GOSISDBHSA-N 0 1 296.414 2.978 20 30 CFEDMN C#CCN1CC[C@@H](N(C)C(=O)c2ccc(C(C)C)cc2)C1 ZINC001033608125 780730692 /nfs/dbraw/zinc/73/06/92/780730692.db2.gz CLAPHYHXFJDHLO-QGZVFWFLSA-N 0 1 284.403 2.590 20 30 CFEDMN C=CCN1CC[C@H](N(C)C(=O)c2cc(C)c(F)c(C)c2)C1 ZINC001033668932 780745175 /nfs/dbraw/zinc/74/51/75/780745175.db2.gz FPRQLVAAFPNKLE-HNNXBMFYSA-N 0 1 290.382 2.775 20 30 CFEDMN C=CCN1CC[C@H](N(C)C(=O)c2cccc3c2CCC3)C1 ZINC001033703098 780756659 /nfs/dbraw/zinc/75/66/59/780756659.db2.gz YCMIXRXIXHEOBI-HNNXBMFYSA-N 0 1 284.403 2.508 20 30 CFEDMN C#CCCN1CC[C@@H](N(CC)C(=O)c2ccc(C)s2)C1 ZINC001033733930 780768382 /nfs/dbraw/zinc/76/83/82/780768382.db2.gz LELBGRXFQKRAAF-CQSZACIVSA-N 0 1 290.432 2.616 20 30 CFEDMN CC#CCN1CC[C@@H](N(CC)C(=O)c2cscc2C)C1 ZINC001033789813 780786606 /nfs/dbraw/zinc/78/66/06/780786606.db2.gz QNPIUMQZMZBCPC-CQSZACIVSA-N 0 1 290.432 2.616 20 30 CFEDMN CC#CCN1CCC(N(C)C(=O)c2cc(C)cs2)CC1 ZINC001005365100 780792426 /nfs/dbraw/zinc/79/24/26/780792426.db2.gz ISHBWLZUWHQPHV-UHFFFAOYSA-N 0 1 290.432 2.616 20 30 CFEDMN CC#CCN1CC[C@H](N(CC)C(=O)C2=CCCCCC2)C1 ZINC001033806124 780796348 /nfs/dbraw/zinc/79/63/48/780796348.db2.gz FGBQYALYFUNNNH-KRWDZBQOSA-N 0 1 288.435 2.823 20 30 CFEDMN C=C(C)CN1CC[C@H](N(CC)C(=O)c2sccc2F)C1 ZINC001033821430 780801311 /nfs/dbraw/zinc/80/13/11/780801311.db2.gz RTTDLPBRUUKMGB-LBPRGKRZSA-N 0 1 296.411 3.000 20 30 CFEDMN C=CCCCCC[N@@H+]1C[C@@H]2CCC[C@]2(C(=O)[O-])C1 ZINC000701443935 780804583 /nfs/dbraw/zinc/80/45/83/780804583.db2.gz ISAMZYIBUYDPLD-ZFWWWQNUSA-N 0 1 251.370 2.920 20 30 CFEDMN C=CC[N@@H+]1CC[C@@H](N(CC)C(=O)[C@H]2CCCC2(C)C)C1 ZINC001033928643 780826985 /nfs/dbraw/zinc/82/69/85/780826985.db2.gz FFLKWIWFUAWQIL-HUUCEWRRSA-N 0 1 278.440 2.922 20 30 CFEDMN C=CCN1CC[C@@H](N(CC)C(=O)[C@H]2CCCC2(C)C)C1 ZINC001033928643 780827000 /nfs/dbraw/zinc/82/70/00/780827000.db2.gz FFLKWIWFUAWQIL-HUUCEWRRSA-N 0 1 278.440 2.922 20 30 CFEDMN CC#CCN1CC[C@H](N(CC)C(=O)[C@H]2CCCC2(C)C)C1 ZINC001033926987 780828250 /nfs/dbraw/zinc/82/82/50/780828250.db2.gz HQXSJPHNLMTOLX-JKSUJKDBSA-N 0 1 290.451 2.759 20 30 CFEDMN C=CCN1CC[C@H](N(CC)C(=O)c2coc(C(F)F)c2)C1 ZINC001033933748 780830575 /nfs/dbraw/zinc/83/05/75/780830575.db2.gz JNXKXHWHDKARFU-LBPRGKRZSA-N 0 1 298.333 2.940 20 30 CFEDMN C=CC[N@@H+]1CC[C@@H](N(CC)C(=O)c2ccoc2C2CC2)C1 ZINC001033938739 780839040 /nfs/dbraw/zinc/83/90/40/780839040.db2.gz CGUBYUDOFZDBDI-CQSZACIVSA-N 0 1 288.391 2.879 20 30 CFEDMN C=CCN1CC[C@@H](N(CC)C(=O)c2ccoc2C2CC2)C1 ZINC001033938739 780839051 /nfs/dbraw/zinc/83/90/51/780839051.db2.gz CGUBYUDOFZDBDI-CQSZACIVSA-N 0 1 288.391 2.879 20 30 CFEDMN C=CCN1CC[C@@H](N(CC)C(=O)c2ccccc2CC)C1 ZINC001033944827 780839768 /nfs/dbraw/zinc/83/97/68/780839768.db2.gz YTMDFRNFNNKLRQ-MRXNPFEDSA-N 0 1 286.419 2.971 20 30 CFEDMN C=CCN1CC[C@H](N(CC)C(=O)c2ccc3cc[nH]c3c2)C1 ZINC001033975008 780846042 /nfs/dbraw/zinc/84/60/42/780846042.db2.gz INANJNZHRWMABO-INIZCTEOSA-N 0 1 297.402 2.890 20 30 CFEDMN COc1cc(C#N)ccc1-c1cccc2[nH]nnc21 ZINC001241402995 780852623 /nfs/dbraw/zinc/85/26/23/780852623.db2.gz CFENTLYSQHGDMV-UHFFFAOYSA-N 0 1 250.261 2.505 20 30 CFEDMN C=CCN1CC[C@H](N(CC)C(=O)c2ccc(F)cc2F)C1 ZINC001034028534 780859527 /nfs/dbraw/zinc/85/95/27/780859527.db2.gz HMQJWSKZUFIXAR-ZDUSSCGKSA-N 0 1 294.345 2.687 20 30 CFEDMN CC#CCN1CCCC[C@H](NC(=O)c2cc(C)c(C)o2)C1 ZINC001034166421 780914244 /nfs/dbraw/zinc/91/42/44/780914244.db2.gz TYIFCSDHOFHZFQ-HNNXBMFYSA-N 0 1 288.391 2.504 20 30 CFEDMN C=CCN1CCCC[C@@H](NC(=O)c2ccoc2CC)C1 ZINC001034188804 780918779 /nfs/dbraw/zinc/91/87/79/780918779.db2.gz QEANSRWUDINUNN-CYBMUJFWSA-N 0 1 276.380 2.612 20 30 CFEDMN C=CCN1CCCC[C@@H](NC(=O)c2cccc(C)c2F)C1 ZINC001034225275 780928918 /nfs/dbraw/zinc/92/89/18/780928918.db2.gz HHJLULACAPXLFC-CQSZACIVSA-N 0 1 290.382 2.904 20 30 CFEDMN C=CCN1CCCC[C@@H](NC(=O)c2nc(C)sc2C)C1 ZINC001034269317 780936746 /nfs/dbraw/zinc/93/67/46/780936746.db2.gz RJMZJOHXRKVEOO-CYBMUJFWSA-N 0 1 293.436 2.530 20 30 CFEDMN C=CC[N@@H+]1CCCC[C@H](NC(=O)CC2CC(F)(F)C2)C1 ZINC001034276930 780938094 /nfs/dbraw/zinc/93/80/94/780938094.db2.gz TWOBEOUERYHNEU-ZDUSSCGKSA-N 0 1 286.366 2.579 20 30 CFEDMN C=CCN1CCCC[C@H](NC(=O)c2c(C)oc(C)c2C)C1 ZINC001034298216 780940852 /nfs/dbraw/zinc/94/08/52/780940852.db2.gz LIXIBLIMMWQFDL-HNNXBMFYSA-N 0 1 290.407 2.975 20 30 CFEDMN C=CCN1CCCC[C@@H](NC(=O)[C@@H](F)c2ccccc2)C1 ZINC001034424526 780968264 /nfs/dbraw/zinc/96/82/64/780968264.db2.gz NDWGTAOWFOBPTC-CVEARBPZSA-N 0 1 290.382 2.854 20 30 CFEDMN C#CCN1CCCC[C@@H](NC(=O)[C@H](C)c2cccc(C)c2)C1 ZINC001034416287 780970869 /nfs/dbraw/zinc/97/08/69/780970869.db2.gz MYBLWJMZABKUEC-SJLPKXTDSA-N 0 1 298.430 2.702 20 30 CFEDMN C#CCN1CCCC[C@H](NC(=O)[C@@H](C)c2cccc(C)c2)C1 ZINC001034416288 780971548 /nfs/dbraw/zinc/97/15/48/780971548.db2.gz MYBLWJMZABKUEC-WMZOPIPTSA-N 0 1 298.430 2.702 20 30 CFEDMN C#CCN1CCCC[C@@H](NC(=O)CC2CCCCCC2)C1 ZINC001034417963 780972762 /nfs/dbraw/zinc/97/27/62/780972762.db2.gz YOIDYGDDSURECA-QGZVFWFLSA-N 0 1 290.451 2.951 20 30 CFEDMN C=CCN1CCCC[C@@H](NC(=O)c2cc(C(C)C)no2)C1 ZINC001034438752 780976118 /nfs/dbraw/zinc/97/61/18/780976118.db2.gz PRSRJTFRLWIHQI-CYBMUJFWSA-N 0 1 291.395 2.568 20 30 CFEDMN C=CCN1CCCC[C@@H](NC(=O)c2csc(Cl)n2)C1 ZINC001034473017 780982184 /nfs/dbraw/zinc/98/21/84/780982184.db2.gz FLVOGAQWXFRXKO-SNVBAGLBSA-N 0 1 299.827 2.567 20 30 CFEDMN C#CCN1CCCC[C@H](NC(=O)c2cccc(Cl)c2)C1 ZINC001034506263 780988806 /nfs/dbraw/zinc/98/88/06/780988806.db2.gz LJXMCEZXESZTCH-HNNXBMFYSA-N 0 1 290.794 2.558 20 30 CFEDMN C=CCN1CCCC[C@@H](NC(=O)c2nc(C)c(C)s2)C1 ZINC001034532219 780992737 /nfs/dbraw/zinc/99/27/37/780992737.db2.gz MDGBJDIQTQQYBA-CYBMUJFWSA-N 0 1 293.436 2.530 20 30 CFEDMN CC#CCN1CCCC[C@H](NC(=O)Cc2ccccc2C)C1 ZINC001034521114 780993658 /nfs/dbraw/zinc/99/36/58/780993658.db2.gz ZVANPIPSQOIZIO-SFHVURJKSA-N 0 1 298.430 2.532 20 30 CFEDMN C=CCN1CCCC[C@@H](NC(=O)c2cc(F)cc(F)c2)C1 ZINC001034521482 780993835 /nfs/dbraw/zinc/99/38/35/780993835.db2.gz MJSTYIJKJNBKTR-OAHLLOKOSA-N 0 1 294.345 2.735 20 30 CFEDMN C#CCN1CCCC[C@@H](NC(=O)[C@@]2(C)CC=C(C)CC2)C1 ZINC001034535169 780994311 /nfs/dbraw/zinc/99/43/11/780994311.db2.gz CGYJHQALJRUOFC-AEFFLSMTSA-N 0 1 288.435 2.727 20 30 CFEDMN C#CCN1CCCC[C@H](NC(=O)c2cccc(C3CC3)c2)C1 ZINC001034544331 780996546 /nfs/dbraw/zinc/99/65/46/780996546.db2.gz NORDYYIENHEAJQ-SFHVURJKSA-N 0 1 296.414 2.782 20 30 CFEDMN C#CCN1CCCC[C@H](NC(=O)[C@@H]2CCCCC2(C)C)C1 ZINC001034544027 780996742 /nfs/dbraw/zinc/99/67/42/780996742.db2.gz LLWGUCYNDORTFS-HOTGVXAUSA-N 0 1 290.451 2.807 20 30 CFEDMN Cc1[nH]nc2cc(-c3nc4c(cc3C#N)COCC4)ccc12 ZINC001241639416 781038691 /nfs/dbraw/zinc/03/86/91/781038691.db2.gz IQTRYZDSWIGSDC-UHFFFAOYSA-N 0 1 290.326 2.878 20 30 CFEDMN C=C1CC(C)(C(=O)N2CC3(CCN3C3CCCC3)C2)C1 ZINC001273136866 781056576 /nfs/dbraw/zinc/05/65/76/781056576.db2.gz XQMFTJFCLXZQAT-UHFFFAOYSA-N 0 1 274.408 2.572 20 30 CFEDMN Cc1ccnc(F)c1Nc1cc(C#N)c(F)cc1O ZINC001212559471 781057660 /nfs/dbraw/zinc/05/76/60/781057660.db2.gz RNYPOPUKQXFWSF-UHFFFAOYSA-N 0 1 261.231 2.989 20 30 CFEDMN CCOC(=O)c1cnc(-c2ccc3[nH]cnc3c2)c(C#N)c1 ZINC001241691100 781074709 /nfs/dbraw/zinc/07/47/09/781074709.db2.gz IRWJYIWZBAAGDE-UHFFFAOYSA-N 0 1 292.298 2.673 20 30 CFEDMN C=CCNC(=O)c1cccnc1-c1ccc2[nH]cnc2c1 ZINC001241691765 781076396 /nfs/dbraw/zinc/07/63/96/781076396.db2.gz APBMKXKSMYQYLH-UHFFFAOYSA-N 0 1 278.315 2.541 20 30 CFEDMN CC[C@@H](C)C(=O)N1CCC[C@@H]1CNCc1ccccc1C#N ZINC001034862918 781084109 /nfs/dbraw/zinc/08/41/09/781084109.db2.gz MERKMSYBLPYDQC-RHSMWYFYSA-N 0 1 299.418 2.685 20 30 CFEDMN C=CCN1CC2(C1)CCN(C(=O)c1ccc(C)s1)CC2 ZINC001035637020 781150122 /nfs/dbraw/zinc/15/01/22/781150122.db2.gz BACVBGRMXITIHG-UHFFFAOYSA-N 0 1 290.432 2.781 20 30 CFEDMN C=CCN1CC2(C1)CCN(C(=O)C1CCCCC1)CC2 ZINC001035641591 781153418 /nfs/dbraw/zinc/15/34/18/781153418.db2.gz UTLCEFRBLPJHJH-UHFFFAOYSA-N 0 1 276.424 2.677 20 30 CFEDMN C=CCN1CC2(C1)CCN(C(=O)CCC1CCC1)CC2 ZINC001035678733 781155952 /nfs/dbraw/zinc/15/59/52/781155952.db2.gz MSOVJDCTBUFEPZ-UHFFFAOYSA-N 0 1 276.424 2.677 20 30 CFEDMN C=CCN1CC2(C1)CCN(C(=O)C(C)(C)C(C)C)CC2 ZINC001035712465 781160020 /nfs/dbraw/zinc/16/00/20/781160020.db2.gz KVIDALCAHWPNMQ-UHFFFAOYSA-N 0 1 278.440 2.779 20 30 CFEDMN C=CCN1CC2(C1)CCN(C(=O)[C@@H]1C[C@]1(C)CC)CC2 ZINC001035826887 781171934 /nfs/dbraw/zinc/17/19/34/781171934.db2.gz JUPQCSUSBMCGLS-HOCLYGCPSA-N 0 1 276.424 2.533 20 30 CFEDMN CCOC(=O)c1cc(-c2ccc3[nH]nnc3c2)ccc1C#N ZINC001241942402 781197355 /nfs/dbraw/zinc/19/73/55/781197355.db2.gz LBTHGTMHUAKYJW-UHFFFAOYSA-N 0 1 292.298 2.673 20 30 CFEDMN CCOC(=O)c1cc(-c2ccc3nn[nH]c3c2)ccc1C#N ZINC001241942402 781197357 /nfs/dbraw/zinc/19/73/57/781197357.db2.gz LBTHGTMHUAKYJW-UHFFFAOYSA-N 0 1 292.298 2.673 20 30 CFEDMN ON=Cc1ccc(-c2ccc3[nH]nnc3c2)cc1F ZINC001241942045 781197672 /nfs/dbraw/zinc/19/76/72/781197672.db2.gz ITXBGTZGUMUKPP-VIZOYTHASA-N 0 1 256.240 2.572 20 30 CFEDMN C#C[C@H](CC)[NH2+]Cc1c([O-])cccc1Br ZINC000706829259 781204804 /nfs/dbraw/zinc/20/48/04/781204804.db2.gz USZJYEBTSVGUSR-SECBINFHSA-N 0 1 268.154 2.656 20 30 CFEDMN N#Cc1ccnc(-c2ccc(O)c(C(F)(F)F)c2)n1 ZINC001242148071 781300714 /nfs/dbraw/zinc/30/07/14/781300714.db2.gz LFRZMFJWHCFQQO-UHFFFAOYSA-N 0 1 265.194 2.740 20 30 CFEDMN COC(=O)c1cc(C#N)ccc1-c1ccc(F)cc1O ZINC001242216632 781332399 /nfs/dbraw/zinc/33/23/99/781332399.db2.gz CAFFVKONBWIZEN-UHFFFAOYSA-N 0 1 271.247 2.857 20 30 CFEDMN C=CCCCC(=O)NC[C@]1(C)CN(CCC(=C)C)CCO1 ZINC001108169148 781409462 /nfs/dbraw/zinc/40/94/62/781409462.db2.gz LGFXXXDFATVFSH-QGZVFWFLSA-N 0 1 294.439 2.516 20 30 CFEDMN COC(=O)c1cc2ccc(-c3cnc(C#N)c(C)c3)[nH]c-2n1 ZINC001242354929 781428998 /nfs/dbraw/zinc/42/89/98/781428998.db2.gz OOSYBTGUTYZFTO-UHFFFAOYSA-N 0 1 292.298 2.592 20 30 CFEDMN Cc1cc(-c2nc(C(C)(C)C)nc3nc[nH]c32)cnc1C#N ZINC001242355471 781430246 /nfs/dbraw/zinc/43/02/46/781430246.db2.gz XSYOTCHXVJOGRJ-UHFFFAOYSA-N 0 1 292.346 2.844 20 30 CFEDMN N#Cc1ccc(F)c(CN2CCC[C@H](CF)C2)c1 ZINC000711423744 781430435 /nfs/dbraw/zinc/43/04/35/781430435.db2.gz WUZGROZYLXJLQA-GFCCVEGCSA-N 0 1 250.292 2.879 20 30 CFEDMN N#Cc1c[nH]c2ccnc(-c3cnn(C(F)(F)F)c3)c12 ZINC001242462683 781517283 /nfs/dbraw/zinc/51/72/83/781517283.db2.gz LMWZJDUEYSRVFV-UHFFFAOYSA-N 0 1 277.209 2.774 20 30 CFEDMN Cc1cc(C#N)cc(-c2ccc(CN(C)C)cn2)c1 ZINC001242476860 781531661 /nfs/dbraw/zinc/53/16/61/781531661.db2.gz NMIBHPIAQKWZKO-UHFFFAOYSA-N 0 1 251.333 2.990 20 30 CFEDMN C=C[C@](C)(CC)C(=O)NC[C@@]1(C)CN(CCCC)CCO1 ZINC001108189786 781559763 /nfs/dbraw/zinc/55/97/63/781559763.db2.gz KXMQMJQYHJILIZ-SJORKVTESA-N 0 1 296.455 2.596 20 30 CFEDMN N#Cc1cc(F)ccc1-c1cc2[nH]nnc2cc1F ZINC001242581592 781614636 /nfs/dbraw/zinc/61/46/36/781614636.db2.gz DRWHDQYREQQMHW-UHFFFAOYSA-N 0 1 256.215 2.775 20 30 CFEDMN C=CCN1C[C@@H](C)[C@H](NC(=O)c2ccc(Cl)cc2F)C1 ZINC001080075514 781634542 /nfs/dbraw/zinc/63/45/42/781634542.db2.gz BWDWICSRJJBIJV-QMTHXVAHSA-N 0 1 296.773 2.715 20 30 CFEDMN C=CCN1C[C@@H](C)[C@H](NC(=O)c2cc(C)cc(Cl)c2)C1 ZINC001080133759 781637127 /nfs/dbraw/zinc/63/71/27/781637127.db2.gz LCCVPPLBBLWIPA-IUODEOHRSA-N 0 1 292.810 2.885 20 30 CFEDMN C=CCN1C[C@@H](C)[C@H](NC(=O)c2ccc(C(F)F)cc2)C1 ZINC001080624867 781673102 /nfs/dbraw/zinc/67/31/02/781673102.db2.gz DZYHQRUVRQAFES-BXUZGUMPSA-N 0 1 294.345 2.860 20 30 CFEDMN C=C(C)CN1C[C@@H](C)[C@H](NC(=O)c2cc(C)c(CC)o2)C1 ZINC001080767762 781677039 /nfs/dbraw/zinc/67/70/39/781677039.db2.gz UIBQMOIKHUVHFK-ZIAGYGMSSA-N 0 1 290.407 2.777 20 30 CFEDMN C=CCN1C[C@@H](C)[C@H](NC(=O)[C@@]2(C)CCc3ccccc32)C1 ZINC001081024384 781691496 /nfs/dbraw/zinc/69/14/96/781691496.db2.gz HBDKZCIXGLQGTP-BJZITVGISA-N 0 1 298.430 2.513 20 30 CFEDMN C=CCN1C[C@@H](C)[C@H](NC(=O)[C@]2(C)CCc3ccccc32)C1 ZINC001081024385 781692004 /nfs/dbraw/zinc/69/20/04/781692004.db2.gz HBDKZCIXGLQGTP-LSBZLQRGSA-N 0 1 298.430 2.513 20 30 CFEDMN C=CCN1C[C@@H](C)[C@H](NC(=O)c2ccoc2C(C)C)C1 ZINC001081022244 781696232 /nfs/dbraw/zinc/69/62/32/781696232.db2.gz OEDXFANLJLZIGW-TZMCWYRMSA-N 0 1 276.380 2.639 20 30 CFEDMN C=CC[C@H]1CCCN(C(=O)c2cnc(C3CC3)[nH]2)C1 ZINC001118726440 781705475 /nfs/dbraw/zinc/70/54/75/781705475.db2.gz UMIULQKRRMHPCC-NSHDSACASA-N 0 1 259.353 2.715 20 30 CFEDMN COC(=O)c1cc2ccc(C3=CC(=O)C[C@@H](C)C3)[nH]c-2n1 ZINC001242735751 781729147 /nfs/dbraw/zinc/72/91/47/781729147.db2.gz AWKBBSVJQRZTFF-VIFPVBQESA-N 0 1 284.315 2.732 20 30 CFEDMN C[C@@H]1CC(=O)C=C(c2ccc(N3CCN(C)CC3)cc2)C1 ZINC001242740198 781732966 /nfs/dbraw/zinc/73/29/66/781732966.db2.gz AAMIVSORHBMEAX-AWEZNQCLSA-N 0 1 284.403 2.821 20 30 CFEDMN C=C(Cl)CN[C@@H]1CN(C(=O)[C@@H](C)c2ccco2)C[C@H]1C ZINC001082736488 781741218 /nfs/dbraw/zinc/74/12/18/781741218.db2.gz LGYVWFHXJKKVJA-KGYLQXTDSA-N 0 1 296.798 2.572 20 30 CFEDMN N#Cc1cnc(-c2cccc(O)c2Cl)c(C#N)c1 ZINC001242798355 781763616 /nfs/dbraw/zinc/76/36/16/781763616.db2.gz UFPJRDOFHHFAKM-UHFFFAOYSA-N 0 1 255.664 2.851 20 30 CFEDMN COC(=O)c1cc(C#N)cnc1-c1cccc(O)c1Cl ZINC001242799722 781766269 /nfs/dbraw/zinc/76/62/69/781766269.db2.gz ZIMWNIIJJRWQOH-UHFFFAOYSA-N 0 1 288.690 2.766 20 30 CFEDMN C=C(C)CN1CC[C@@H]2CN(C(=O)c3cscc3C)[C@@H]2C1 ZINC001084262452 781784584 /nfs/dbraw/zinc/78/45/84/781784584.db2.gz ZIMQKQDWHDCTFD-UKRRQHHQSA-N 0 1 290.432 2.779 20 30 CFEDMN C=C(C)CN1CC[C@@H]2CN(C(=O)c3ccccc3CC)[C@@H]2C1 ZINC001084614432 781811958 /nfs/dbraw/zinc/81/19/58/781811958.db2.gz VYSDORXLGIENLT-SJLPKXTDSA-N 0 1 298.430 2.971 20 30 CFEDMN C=CCN1CC[C@@H]2CN(C(=O)c3ccc(CCC)cc3)[C@@H]2C1 ZINC001084618106 781811990 /nfs/dbraw/zinc/81/19/90/781811990.db2.gz BUGQVSJSWLXKQT-QZTJIDSGSA-N 0 1 298.430 2.971 20 30 CFEDMN C=C(C)CN1CC[C@@H]2CN(C(=O)c3occc3CC)[C@@H]2C1 ZINC001084636282 781815980 /nfs/dbraw/zinc/81/59/80/781815980.db2.gz ANQCFIZFRRBXFQ-HUUCEWRRSA-N 0 1 288.391 2.564 20 30 CFEDMN C=CCN1CC[C@@H]2CN(C(=O)[C@H](C)c3cccc(C)c3)[C@@H]2C1 ZINC001084689653 781820665 /nfs/dbraw/zinc/82/06/65/781820665.db2.gz NCCYKUQARWMNGG-KBAYOESNSA-N 0 1 298.430 2.817 20 30 CFEDMN C=CCC[C@H]([NH2+]Cc1ncc(CSC)s1)C(=O)[O-] ZINC001119602087 781831468 /nfs/dbraw/zinc/83/14/68/781831468.db2.gz PXSNEUILGFQCPW-JTQLQIEISA-N 0 1 286.422 2.515 20 30 CFEDMN C=CCN1CC[C@@H]2CN(C(=O)[C@H](C)C3CCCC3)[C@@H]2C1 ZINC001084767161 781833046 /nfs/dbraw/zinc/83/30/46/781833046.db2.gz IUXGHPFCAAYQCP-FVQBIDKESA-N 0 1 276.424 2.531 20 30 CFEDMN C=CCN1CC[C@@H]2CN(C(=O)c3ccccc3Cl)[C@@H]2C1 ZINC001084790109 781836747 /nfs/dbraw/zinc/83/67/47/781836747.db2.gz MLZFQPBKBFQWFC-IUODEOHRSA-N 0 1 290.794 2.672 20 30 CFEDMN C=CCN1CC[C@@H]2CN(C(=O)c3ccc(CC)cc3)[C@@H]2C1 ZINC001084808501 781840763 /nfs/dbraw/zinc/84/07/63/781840763.db2.gz SLSIICFFCYMVOQ-IAGOWNOFSA-N 0 1 284.403 2.581 20 30 CFEDMN C=CCN1CC[C@@H]2CN(C(=O)Cc3ccc(C)c(C)c3)[C@@H]2C1 ZINC001084816265 781841202 /nfs/dbraw/zinc/84/12/02/781841202.db2.gz XBJDQJSAYWTCHB-QZTJIDSGSA-N 0 1 298.430 2.565 20 30 CFEDMN C=CCN1CC[C@@H]2CN(C(=O)C3(C)CCC(C)CC3)[C@@H]2C1 ZINC001084860534 781848730 /nfs/dbraw/zinc/84/87/30/781848730.db2.gz UTELTHBUPGPIRF-GARNVTTQSA-N 0 1 290.451 2.922 20 30 CFEDMN C=CCCC(=O)[C@H]1CCCN1C(=O)c1c(O)cccc1F ZINC000820449510 781868775 /nfs/dbraw/zinc/86/87/75/781868775.db2.gz UEPUATVVFNLJLS-GFCCVEGCSA-N 0 1 291.322 2.671 20 30 CFEDMN CCCCCCC[N@H+]1CC[C@@H]1CN(C)C(=O)[C@@H](C)OCC ZINC001230855051 781875679 /nfs/dbraw/zinc/87/56/79/781875679.db2.gz GXVGPGNFILOFEZ-HZPDHXFCSA-N 0 1 298.471 2.915 20 30 CFEDMN Cc1n[nH]cc1CNC1(c2ccc(C#N)cc2)CCC1 ZINC000594520346 349441279 /nfs/dbraw/zinc/44/12/79/349441279.db2.gz NEEKVHUYFAPXLO-UHFFFAOYSA-N 0 1 266.348 2.759 20 30 CFEDMN C[C@H](NCc1cnn2c1CCC2)c1cccc(C#N)c1 ZINC000594929528 349513918 /nfs/dbraw/zinc/51/39/18/349513918.db2.gz KJXWDVFHPSQTPO-LBPRGKRZSA-N 0 1 266.348 2.552 20 30 CFEDMN C[C@@H](NCc1cnc2n1CCC2)c1cccc(C#N)c1 ZINC000594930345 349515185 /nfs/dbraw/zinc/51/51/85/349515185.db2.gz VEYRACSRCNGFGM-GFCCVEGCSA-N 0 1 266.348 2.552 20 30 CFEDMN CCn1cc(CNC(C)(C)c2cccc(C#N)c2)cn1 ZINC000594968624 349535226 /nfs/dbraw/zinc/53/52/26/349535226.db2.gz KUGAPDOECFCTAO-UHFFFAOYSA-N 0 1 268.364 2.800 20 30 CFEDMN C=CCCSCCN[C@H]1CCCn2ccnc21 ZINC000595060146 349570484 /nfs/dbraw/zinc/57/04/84/349570484.db2.gz SFKOINJGOKTZIF-LBPRGKRZSA-N 0 1 251.399 2.617 20 30 CFEDMN COc1cccc(OC)c1CN[C@@H]1CCC[C@@H](C#N)C1 ZINC000595074669 349575064 /nfs/dbraw/zinc/57/50/64/349575064.db2.gz SUIPSTKAKLZVCF-CHWSQXEVSA-N 0 1 274.364 2.876 20 30 CFEDMN CCC(CC)CN(CCC#N)C[C@H](OC)[C@H]1CCOC1 ZINC000595348552 349609148 /nfs/dbraw/zinc/60/91/48/349609148.db2.gz SPEHZPUOBGUSCZ-HOTGVXAUSA-N 0 1 282.428 2.690 20 30 CFEDMN CC[C@@H](C)Oc1cc(C(=O)[C@H](C#N)c2ccncn2)ccn1 ZINC000354464913 529379884 /nfs/dbraw/zinc/37/98/84/529379884.db2.gz LENFRXGNJHKVIX-DGCLKSJQSA-N 0 1 296.330 2.539 20 30 CFEDMN CC[C@@H](C)Oc1cc(C(=O)C(C#N)c2ccncn2)ccn1 ZINC000354464913 529379887 /nfs/dbraw/zinc/37/98/87/529379887.db2.gz LENFRXGNJHKVIX-DGCLKSJQSA-N 0 1 296.330 2.539 20 30 CFEDMN CC[C@@H](C)c1nc([C@H](C)Nc2ncc(C#N)cc2F)n[nH]1 ZINC000413268979 529432454 /nfs/dbraw/zinc/43/24/54/529432454.db2.gz SSINNCRIOQPAGT-BDAKNGLRSA-N 0 1 288.330 2.897 20 30 CFEDMN CN(CCCCC#N)[C@H](c1nnc[nH]1)c1ccccc1 ZINC000595522614 349650315 /nfs/dbraw/zinc/65/03/15/349650315.db2.gz CVHIWCGDDOEFHW-AWEZNQCLSA-N 0 1 269.352 2.520 20 30 CFEDMN CC[C@@H](C)n1ncc(C(=O)NCCN2CC=CCC2)c1C ZINC000330076396 529439368 /nfs/dbraw/zinc/43/93/68/529439368.db2.gz GWYIOMVQTKQORU-CYBMUJFWSA-N 0 1 290.411 2.729 20 30 CFEDMN CN(Cc1cc(C#N)ccc1F)[C@H](CO)Cc1ccccc1 ZINC000595594521 349667765 /nfs/dbraw/zinc/66/77/65/349667765.db2.gz FPKVKVRRTDPCLZ-KRWDZBQOSA-N 0 1 298.361 2.733 20 30 CFEDMN C[C@H](C(=O)N(C)Cc1ccccc1)N1CCC[C@H](CC#N)C1 ZINC000595611124 349674515 /nfs/dbraw/zinc/67/45/15/349674515.db2.gz HFILNQBTEKKECY-NVXWUHKLSA-N 0 1 299.418 2.659 20 30 CFEDMN C[C@@H](C(=O)N(C)C1CCCCC1)N1CCC[C@H](CC#N)C1 ZINC000595609768 349675146 /nfs/dbraw/zinc/67/51/46/349675146.db2.gz OVNJHBYTSOKSIH-LSDHHAIUSA-N 0 1 291.439 2.792 20 30 CFEDMN C=CC[C@H]1CCCC[C@H]1NCc1oncc1C(=O)OC ZINC000595605345 349672374 /nfs/dbraw/zinc/67/23/74/349672374.db2.gz WVAKMXSSDASGRD-WCQYABFASA-N 0 1 278.352 2.686 20 30 CFEDMN C=CC[C@H]1CCCC[C@@H]1NCc1oncc1C(=O)OC ZINC000595605343 349672449 /nfs/dbraw/zinc/67/24/49/349672449.db2.gz WVAKMXSSDASGRD-AAEUAGOBSA-N 0 1 278.352 2.686 20 30 CFEDMN N#Cc1sccc1N1CCN(C2CCCC2)CC1 ZINC000595629962 349683709 /nfs/dbraw/zinc/68/37/09/349683709.db2.gz BFPBBJHRCWVHQB-UHFFFAOYSA-N 0 1 261.394 2.684 20 30 CFEDMN N#Cc1sccc1N1CCN(CCc2ccccc2)CC1 ZINC000595630644 349683754 /nfs/dbraw/zinc/68/37/54/349683754.db2.gz IUBUNNCKXDIVAZ-UHFFFAOYSA-N 0 1 297.427 2.984 20 30 CFEDMN CCC[C@H](C)N1CCN(c2ccsc2C#N)CC1 ZINC000595629872 349684111 /nfs/dbraw/zinc/68/41/11/349684111.db2.gz OJHAQUVDTKTGFB-LBPRGKRZSA-N 0 1 263.410 2.930 20 30 CFEDMN C=CCN(CC1CCCCC1)C(=O)c1cnc(C)[nH]1 ZINC000069973680 346904330 /nfs/dbraw/zinc/90/43/30/346904330.db2.gz VBCTYWJMRRQKKR-UHFFFAOYSA-N 0 1 261.369 2.927 20 30 CFEDMN COC(C)(C)CN(C)Cc1cccc(C#N)c1F ZINC000404273992 290028403 /nfs/dbraw/zinc/02/84/03/290028403.db2.gz NDIUQZCXFNQPQY-UHFFFAOYSA-N 0 1 250.317 2.554 20 30 CFEDMN CC(C)[C@](C)(C#N)NC(=O)[C@@H](C)N1CCC[C@H](CCF)C1 ZINC000595755029 349724509 /nfs/dbraw/zinc/72/45/09/349724509.db2.gz FGVBULCOEDZIJN-FMKPAKJESA-N 0 1 297.418 2.501 20 30 CFEDMN C[C@H]1CCCN(Cc2cc(F)ccc2C#N)[C@H]1CCO ZINC000595701095 349709648 /nfs/dbraw/zinc/70/96/48/349709648.db2.gz PQMGYPYVXXKLDC-LRDDRELGSA-N 0 1 276.355 2.680 20 30 CFEDMN N#Cc1ccc(CN2CCOC(C3CC3)(C3CC3)C2)cc1 ZINC000595821801 349742442 /nfs/dbraw/zinc/74/24/42/349742442.db2.gz GLIRFDAGBJWKMQ-UHFFFAOYSA-N 0 1 282.387 2.949 20 30 CFEDMN C=CCN(CC(=O)Nc1sccc1C#N)C(C)(C)C ZINC000595764500 349727146 /nfs/dbraw/zinc/72/71/46/349727146.db2.gz CIMVKVWSVALKRP-UHFFFAOYSA-N 0 1 277.393 2.845 20 30 CFEDMN N#Cc1cc(CN2CCC([C@@H]3CCCCO3)CC2)ccn1 ZINC000595781206 349731646 /nfs/dbraw/zinc/73/16/46/349731646.db2.gz AOYCIKQRYZXZSZ-KRWDZBQOSA-N 0 1 285.391 2.734 20 30 CFEDMN N#Cc1ccc(CC[N@H+]2[C@H](C(=O)[O-])C[C@H]3CCCC[C@@H]32)cc1 ZINC000595876445 349759879 /nfs/dbraw/zinc/75/98/79/349759879.db2.gz DRBSHHROBCHOBL-IKGGRYGDSA-N 0 1 298.386 2.818 20 30 CFEDMN CC(C)(C#N)CCCCN1CCc2c(cccc2C(N)=O)C1 ZINC000595902555 349765501 /nfs/dbraw/zinc/76/55/01/349765501.db2.gz LHKBNJOKUDYXTP-UHFFFAOYSA-N 0 1 299.418 2.864 20 30 CFEDMN COc1cccc(CCCN2CC[C@](C)(C#N)C2)c1 ZINC000595838345 349749517 /nfs/dbraw/zinc/74/95/17/349749517.db2.gz AQDPJBLYMWXVFB-MRXNPFEDSA-N 0 1 258.365 2.863 20 30 CFEDMN CO[C@H](CN1CC[C@@](C)(C#N)C1)C1CCCCC1 ZINC000595841543 349751486 /nfs/dbraw/zinc/75/14/86/349751486.db2.gz MAOZXQSQFXDNDZ-CABCVRRESA-N 0 1 250.386 2.817 20 30 CFEDMN CC(C)(C)C(=O)N1CCC[C@@H](CN2CC[C@](C)(C#N)C2)C1 ZINC000595842604 349753116 /nfs/dbraw/zinc/75/31/16/349753116.db2.gz TZUXHNPJTHGAQK-WMLDXEAASA-N 0 1 291.439 2.507 20 30 CFEDMN C[C@@H](C[N@H+]1CCC[C@H](C)C1)N=c1[n-]c(C#N)c(Cl)s1 ZINC000596086040 349790632 /nfs/dbraw/zinc/79/06/32/349790632.db2.gz SWGAMARTJIYILH-UWVGGRQHSA-N 0 1 298.843 2.622 20 30 CFEDMN C[C@H](c1ccccc1)[N@H+]1CC[C@H](Nc2c(C#N)cnn2C)C1 ZINC000596087460 349791457 /nfs/dbraw/zinc/79/14/57/349791457.db2.gz FSWUYQCZPQGLJX-CJNGLKHVSA-N 0 1 295.390 2.539 20 30 CFEDMN CC[N@H+]1CC[C@H](N(C)c2nc(C#N)c(Cl)s2)[C@@H](C)C1 ZINC000596135845 349803647 /nfs/dbraw/zinc/80/36/47/349803647.db2.gz BVFYJVSRPCUBPF-ONGXEEELSA-N 0 1 298.843 2.835 20 30 CFEDMN CC(C)N(C(=O)CNC1(c2cccc(C#N)c2)CC1)C(C)C ZINC000341956109 534938450 /nfs/dbraw/zinc/93/84/50/534938450.db2.gz AVSASVWTRZOGNZ-UHFFFAOYSA-N 0 1 299.418 2.782 20 30 CFEDMN N#Cc1[n-]c(=NC[C@@H]2CCCC[N@H+]2C2CC2)sc1Cl ZINC000596211892 349827760 /nfs/dbraw/zinc/82/77/60/349827760.db2.gz YLJHGEMEGXFFJO-JTQLQIEISA-N 0 1 296.827 2.519 20 30 CFEDMN CCCC[N@H+](C)C[C@@H](C)N=c1[n-]c(C#N)c(Cl)s1 ZINC000596235970 349835608 /nfs/dbraw/zinc/83/56/08/349835608.db2.gz DJRMGFIPVJJMFD-SECBINFHSA-N 0 1 286.832 2.622 20 30 CFEDMN CCCC[N@@H+](C)C[C@@H](C)N=c1[n-]c(C#N)c(Cl)s1 ZINC000596235970 349835610 /nfs/dbraw/zinc/83/56/10/349835610.db2.gz DJRMGFIPVJJMFD-SECBINFHSA-N 0 1 286.832 2.622 20 30 CFEDMN CC[C@H](C)[C@H](CNc1nc(C#N)c(Cl)s1)OC ZINC000596249660 349840452 /nfs/dbraw/zinc/84/04/52/349840452.db2.gz JQFREQIZFROXJM-CBAPKCEASA-N 0 1 273.789 2.563 20 30 CFEDMN CC[C@@H]1CN(CC)CCN1c1nc(C#N)c(Cl)s1 ZINC000596256861 349843873 /nfs/dbraw/zinc/84/38/73/349843873.db2.gz HHNUPCIPYBVEEU-SECBINFHSA-N 0 1 284.816 2.589 20 30 CFEDMN CN(Cc1cc(F)ccc1C#N)CC1CCOCC1 ZINC000156099574 529980090 /nfs/dbraw/zinc/98/00/90/529980090.db2.gz FRGUGQKQZWTMLG-UHFFFAOYSA-N 0 1 262.328 2.556 20 30 CFEDMN CN1CCC[C@H]1C(=O)N[C@H](C#N)c1ccc(C(C)(C)C)cc1 ZINC000114076079 530062412 /nfs/dbraw/zinc/06/24/12/530062412.db2.gz PXZSQOYOURRHRR-CVEARBPZSA-N 0 1 299.418 2.759 20 30 CFEDMN Cc1cc(C(C#N)C(=O)c2ccc(Cl)o2)nc(C)n1 ZINC000075440347 347077121 /nfs/dbraw/zinc/07/71/21/347077121.db2.gz VLSPXOJXXIPXRJ-SECBINFHSA-N 0 1 275.695 2.830 20 30 CFEDMN C=CCOc1cccc(CN(C)Cc2cnc[nH]2)c1 ZINC000668423064 539473092 /nfs/dbraw/zinc/47/30/92/539473092.db2.gz NQCHPLKNDFVDMJ-UHFFFAOYSA-N 0 1 257.337 2.607 20 30 CFEDMN C[C@@H]1CCCCN1Cc1nnc(-c2cccc(C#N)c2)o1 ZINC000075617532 347088720 /nfs/dbraw/zinc/08/87/20/347088720.db2.gz SAYKVCYURNBSAE-GFCCVEGCSA-N 0 1 282.347 2.983 20 30 CFEDMN O=C(CCC(=O)NC1CCCC1)NCc1cnc[nH]1 ZINC000328788510 539520576 /nfs/dbraw/zinc/52/05/76/539520576.db2.gz PHZOPANDGDZVAM-UHFFFAOYSA-N 0 1 264.329 2.546 20 30 CFEDMN C=CC[C@@H]1CCCN(Cc2cn(Cc3cccnc3)nn2)C1 ZINC000668492755 539533522 /nfs/dbraw/zinc/53/35/22/539533522.db2.gz FOOIMMYMLPZHGG-OAHLLOKOSA-N 0 1 297.406 2.510 20 30 CFEDMN N#Cc1cccc(NC(=O)c2cc(-c3ccco3)n[nH]2)c1 ZINC000028276241 346274708 /nfs/dbraw/zinc/27/47/08/346274708.db2.gz CQIRBIIEFXDWOH-UHFFFAOYSA-N 0 1 278.271 2.794 20 30 CFEDMN CCC1CCN(CC(=O)N(C)C2(C#N)CCCCC2)CC1 ZINC000052279843 346519440 /nfs/dbraw/zinc/51/94/40/346519440.db2.gz SGITYCQFDSJMHR-UHFFFAOYSA-N 0 1 291.439 2.793 20 30 CFEDMN Cc1csc(C(C#N)C(=O)c2ccc3c(c2)COC3)n1 ZINC000050204992 346490957 /nfs/dbraw/zinc/49/09/57/346490957.db2.gz WLFMTBZKQVHZRR-ZDUSSCGKSA-N 0 1 284.340 2.972 20 30 CFEDMN C[C@H]1CCCN1C(=O)CCN(CCC#N)CC(C)(C)C ZINC000075765341 347097501 /nfs/dbraw/zinc/09/75/01/347097501.db2.gz YWZQTBDTSNBKCB-AWEZNQCLSA-N 0 1 279.428 2.649 20 30 CFEDMN C#CCN(CC)C(=O)c1cc(-c2ccccc2Cl)[nH]n1 ZINC000056361384 346607550 /nfs/dbraw/zinc/60/75/50/346607550.db2.gz PNSFCVNSSIUHOZ-UHFFFAOYSA-N 0 1 287.750 2.825 20 30 CFEDMN CC[C@@H](C)NC(=O)CN(CC)[C@H](C)c1ccc(C#N)cc1 ZINC000060477593 346666386 /nfs/dbraw/zinc/66/63/86/346666386.db2.gz ADBOOECBVPFCJH-ZIAGYGMSSA-N 0 1 287.407 2.856 20 30 CFEDMN C=C(C)CN(CC)CC(=O)NC1CCC(C)CC1 ZINC000061758715 346682819 /nfs/dbraw/zinc/68/28/19/346682819.db2.gz PWSWRORBRLUJHM-UHFFFAOYSA-N 0 1 252.402 2.579 20 30 CFEDMN C#CCN1CCC(C(=O)N(C)C[C@H](C)c2ccccc2)CC1 ZINC000066457299 346762303 /nfs/dbraw/zinc/76/23/03/346762303.db2.gz VYJFITNMWOGHLG-INIZCTEOSA-N 0 1 298.430 2.594 20 30 CFEDMN CC(C)COCCC(=O)Nc1nc(-c2ccco2)n[nH]1 ZINC000075938419 347109694 /nfs/dbraw/zinc/10/96/94/347109694.db2.gz ZFZFAMNPWRCFOY-UHFFFAOYSA-N 0 1 278.312 2.715 20 30 CFEDMN COc1nc(C)cc(C)c1CNCc1ccc(C#N)cc1 ZINC000067011584 346788477 /nfs/dbraw/zinc/78/84/77/346788477.db2.gz DNLONBNAXCKXDA-UHFFFAOYSA-N 0 1 281.359 2.869 20 30 CFEDMN C=CCCCN(C)Cc1nc(-c2ccccn2)no1 ZINC000076734555 347150272 /nfs/dbraw/zinc/15/02/72/347150272.db2.gz HMAKWLDJCYYJJD-UHFFFAOYSA-N 0 1 258.325 2.530 20 30 CFEDMN C#CCN(Cc1ccccc1)C[C@H](O)c1cccs1 ZINC000088604586 347506397 /nfs/dbraw/zinc/50/63/97/347506397.db2.gz FDTXMNTZTFYCFQ-HNNXBMFYSA-N 0 1 271.385 2.917 20 30 CFEDMN C[C@H](NCc1cc(C#N)cs1)c1ccc2[nH]c(=O)[nH]c2c1 ZINC000093492648 347677788 /nfs/dbraw/zinc/67/77/88/347677788.db2.gz NMHVLWLYQSUKJT-VIFPVBQESA-N 0 1 298.371 2.640 20 30 CFEDMN C#CCN(Cc1cnc(N(C)C)s1)C1CCCC1 ZINC000093819785 347683524 /nfs/dbraw/zinc/68/35/24/347683524.db2.gz RACGXMNSFCKXGN-UHFFFAOYSA-N 0 1 263.410 2.587 20 30 CFEDMN CN1CCN(c2nc(C(F)(F)F)ccc2C#N)CC1(C)C ZINC000094335331 347695433 /nfs/dbraw/zinc/69/54/33/347695433.db2.gz PBIJLIWTVJCIPK-UHFFFAOYSA-N 0 1 298.312 2.502 20 30 CFEDMN CC(C)C[C@H]1CCCN(CC(=O)N[C@@](C)(C#N)C2CC2)C1 ZINC000119170030 347800869 /nfs/dbraw/zinc/80/08/69/347800869.db2.gz BSGNLDDVJCCKOG-PBHICJAKSA-N 0 1 291.439 2.553 20 30 CFEDMN C=CCCCCCN([C@@H](C)CS(C)(=O)=O)C1CC1 ZINC000193347828 348142330 /nfs/dbraw/zinc/14/23/30/348142330.db2.gz IHMQVDGZDJJTQP-ZDUSSCGKSA-N 0 1 273.442 2.630 20 30 CFEDMN C[C@@H](CCC#N)N1CCN(c2ccc(F)cc2)CC1 ZINC000220060545 348169085 /nfs/dbraw/zinc/16/90/85/348169085.db2.gz GCUMJIUPPODTGN-ZDUSSCGKSA-N 0 1 261.344 2.640 20 30 CFEDMN COc1cc(CNCc2ccncc2C)ccc1C#N ZINC000234930253 348224354 /nfs/dbraw/zinc/22/43/54/348224354.db2.gz OIBVGCCHQMNYRE-UHFFFAOYSA-N 0 1 267.332 2.560 20 30 CFEDMN CCN(CCC#N)C(=O)CN1CCCC[C@H]1c1ccccc1 ZINC000273876141 348334191 /nfs/dbraw/zinc/33/41/91/348334191.db2.gz RNLVLQZFWXDHIS-KRWDZBQOSA-N 0 1 299.418 2.976 20 30 CFEDMN Cc1ccccc1C[N@@H+]1CCCN(C(=O)[C@@H](C)CC#N)CC1 ZINC000596788071 349990083 /nfs/dbraw/zinc/99/00/83/349990083.db2.gz NZHYXGIKAVIXAP-INIZCTEOSA-N 0 1 299.418 2.579 20 30 CFEDMN C=CC[C@H](C)[NH+]=C([O-])N[C@@H]1CCc2cnn(C(C)C)c2C1 ZINC000331098079 348443218 /nfs/dbraw/zinc/44/32/18/348443218.db2.gz NCUMSYMCEVRPKJ-GXTWGEPZSA-N 0 1 290.411 2.790 20 30 CFEDMN C=CC[C@H](C)NC([O-])=[NH+][C@@H]1CCc2cnn(C(C)C)c2C1 ZINC000331098079 348443219 /nfs/dbraw/zinc/44/32/19/348443219.db2.gz NCUMSYMCEVRPKJ-GXTWGEPZSA-N 0 1 290.411 2.790 20 30 CFEDMN CCN(Cc1cc(C#N)ccc1OC)[C@H]1CCCOC1 ZINC000402827421 348583289 /nfs/dbraw/zinc/58/32/89/348583289.db2.gz JZANMGVQAAHYNG-HNNXBMFYSA-N 0 1 274.364 2.568 20 30 CFEDMN C[C@@](CO)(NCc1ccc(C#N)c(F)c1)c1ccccc1 ZINC000404173658 348590362 /nfs/dbraw/zinc/59/03/62/348590362.db2.gz YMZFZQVYPAFVMP-KRWDZBQOSA-N 0 1 284.334 2.695 20 30 CFEDMN COc1ccc(C#N)cc1CN1CCC[C@@H](OC(C)C)C1 ZINC000404704401 348593952 /nfs/dbraw/zinc/59/39/52/348593952.db2.gz ORWIDCZUTYADDQ-MRXNPFEDSA-N 0 1 288.391 2.956 20 30 CFEDMN COc1ccc(CN2CCC[C@@H](OC(C)C)C2)cc1C#N ZINC000404693824 348594042 /nfs/dbraw/zinc/59/40/42/348594042.db2.gz KMQBYGGFROHWFJ-MRXNPFEDSA-N 0 1 288.391 2.956 20 30 CFEDMN C[C@H]1C[N@H+](Cc2ccccc2)C[C@H]1NCC(C)(C)C#N ZINC000405219083 348596700 /nfs/dbraw/zinc/59/67/00/348596700.db2.gz KNCUTIUQKAUDKZ-GOEBONIOSA-N 0 1 271.408 2.646 20 30 CFEDMN C[C@H]1C[N@H+](Cc2ccccc2)C[C@@H]1NCC(C)(C)C#N ZINC000405219085 348596992 /nfs/dbraw/zinc/59/69/92/348596992.db2.gz KNCUTIUQKAUDKZ-HOCLYGCPSA-N 0 1 271.408 2.646 20 30 CFEDMN N#CCCC1CCN([C@@H]2CCN(c3ccccc3)C2=O)CC1 ZINC000584837941 348720730 /nfs/dbraw/zinc/72/07/30/348720730.db2.gz MMKZITZGEHSBRW-QGZVFWFLSA-N 0 1 297.402 2.808 20 30 CFEDMN CCCn1nccc1C(=O)C(C#N)c1nc(C)cs1 ZINC000584731181 348711139 /nfs/dbraw/zinc/71/11/39/348711139.db2.gz DTSCFTXFURINBN-SNVBAGLBSA-N 0 1 274.349 2.548 20 30 CFEDMN CCOC(=O)CC(C)(C)CCN1CCC[C@](C)(C#N)C1 ZINC000588204742 348779958 /nfs/dbraw/zinc/77/99/58/348779958.db2.gz FHHHBPHLZDACAK-MRXNPFEDSA-N 0 1 280.412 2.982 20 30 CFEDMN CC(C)(C)c1ccc(C#N)c(N[C@@H]2CCc3[nH]cnc3C2)n1 ZINC000589606169 348841708 /nfs/dbraw/zinc/84/17/08/348841708.db2.gz GEVFDTMFHOGVLY-GFCCVEGCSA-N 0 1 295.390 2.943 20 30 CFEDMN N#CCCOCCN1CCS[C@@H](c2ccccc2)C1 ZINC000590161764 348880822 /nfs/dbraw/zinc/88/08/22/348880822.db2.gz SSXNLCHITAWPKK-OAHLLOKOSA-N 0 1 276.405 2.707 20 30 CFEDMN C[C@H](c1ccccc1)[C@@H](O)CN1CCC[C@@](C)(C#N)C1 ZINC000590715593 348934829 /nfs/dbraw/zinc/93/48/29/348934829.db2.gz RZZRFUPJAVHBSE-PVAVHDDUSA-N 0 1 272.392 2.777 20 30 CFEDMN C[C@@H]1Cc2cn[nH]c2[C@H](C(=O)Nc2cccc(C#N)c2)C1 ZINC000590416129 348899655 /nfs/dbraw/zinc/89/96/55/348899655.db2.gz XXBUCFDZJULNFZ-QMTHXVAHSA-N 0 1 280.331 2.586 20 30 CFEDMN C[C@@H](C(=O)Nc1ccc(OC(C)(C)C)c(C#N)c1)N(C)C ZINC000590869826 348959906 /nfs/dbraw/zinc/95/99/06/348959906.db2.gz YNKTWVINQDEYAR-NSHDSACASA-N 0 1 289.379 2.624 20 30 CFEDMN N#CC1(NC(=O)c2cc3[nH]cnc3cc2F)CCCCC1 ZINC000591815445 349046063 /nfs/dbraw/zinc/04/60/63/349046063.db2.gz IUMGHMMBTQMPGT-UHFFFAOYSA-N 0 1 286.310 2.658 20 30 CFEDMN CCS[C@H]1CCC[C@H]1NCc1ccncc1C#N ZINC000592121306 349086301 /nfs/dbraw/zinc/08/63/01/349086301.db2.gz GCGPXXFHOVRQAL-KGLIPLIRSA-N 0 1 261.394 2.717 20 30 CFEDMN N#Cc1ccccc1/C=C\c1nc([C@@H]2CCCN2)no1 ZINC000592357357 349107571 /nfs/dbraw/zinc/10/75/71/349107571.db2.gz YGPYQZALXMUMPI-WSROAFLRSA-N 0 1 266.304 2.536 20 30 CFEDMN COC(=O)c1cccc2c1CN(CCCCC#N)CC2 ZINC000592158966 349093392 /nfs/dbraw/zinc/09/33/92/349093392.db2.gz OIYAMILJBMJORL-UHFFFAOYSA-N 0 1 272.348 2.525 20 30 CFEDMN C[C@@H](Oc1ccc(C#N)cc1)c1nc([C@@H]2CCCN2)no1 ZINC000592356991 349108150 /nfs/dbraw/zinc/10/81/50/349108150.db2.gz PFFFDNANPQQGBB-MFKMUULPSA-N 0 1 284.319 2.506 20 30 CFEDMN Cc1nn(C)c(C)c1NC(=O)CN1CCC[C@H](C2CC2)C1 ZINC000329670738 539719477 /nfs/dbraw/zinc/71/94/77/539719477.db2.gz TUSJWCVKOLFVPZ-AWEZNQCLSA-N 0 1 290.411 2.747 20 30 CFEDMN N#CCc1ccc(CNCc2ccc3c(n2)CCC3)cc1 ZINC000592518508 349131500 /nfs/dbraw/zinc/13/15/00/349131500.db2.gz VXGAIPCMBKYSBD-UHFFFAOYSA-N 0 1 277.371 2.926 20 30 CFEDMN CCc1cccc(Cl)c1CN1CC[C@@](O)(CC#N)C1 ZINC000592522944 349132774 /nfs/dbraw/zinc/13/27/74/349132774.db2.gz UFRJHIAVBHPPPT-HNNXBMFYSA-N 0 1 278.783 2.753 20 30 CFEDMN N#CC[C@@]1(O)CCN(Cc2ccc(-c3ccccc3)o2)C1 ZINC000592524348 349134100 /nfs/dbraw/zinc/13/41/00/349134100.db2.gz XFQXFKQMTYXGDC-QGZVFWFLSA-N 0 1 282.343 2.797 20 30 CFEDMN COc1cc2ccccc2cc1CN1CC[C@@](O)(CC#N)C1 ZINC000592526602 349135607 /nfs/dbraw/zinc/13/56/07/349135607.db2.gz ZWCNZRWXIRGGKD-SFHVURJKSA-N 0 1 296.370 2.699 20 30 CFEDMN CC[C@@H](C#N)S(=O)(=O)Nc1cc(C(F)F)ccc1F ZINC000593216700 349229408 /nfs/dbraw/zinc/22/94/08/349229408.db2.gz BWFRXLPZWFPQOS-QMMMGPOBSA-N 0 1 292.282 2.807 20 30 CFEDMN C[C@H](CO)C1CCN(Cc2ccc(C#N)c(F)c2)CC1 ZINC000593081692 349203850 /nfs/dbraw/zinc/20/38/50/349203850.db2.gz HHYNTYGDWKSIFV-GFCCVEGCSA-N 0 1 276.355 2.538 20 30 CFEDMN C[C@H](CO)C1CCN(Cc2cn3ccccc3c2C#N)CC1 ZINC000593085309 349204564 /nfs/dbraw/zinc/20/45/64/349204564.db2.gz UNVZVXWMVAZYDD-CQSZACIVSA-N 0 1 297.402 2.651 20 30 CFEDMN CC[C@H](C#N)C(=O)NC[C@H](c1cccs1)N1CCCC1 ZINC000593392170 349259325 /nfs/dbraw/zinc/25/93/25/349259325.db2.gz PPEACZWZFRRMAS-CHWSQXEVSA-N 0 1 291.420 2.551 20 30 CFEDMN CCC(C)(C)NC(=O)CNC1(c2ccc(C#N)cc2)CCC1 ZINC000594032359 349357204 /nfs/dbraw/zinc/35/72/04/349357204.db2.gz FBODDVKZQJUUQP-UHFFFAOYSA-N 0 1 299.418 2.832 20 30 CFEDMN CC(C)c1nc(CNC2(c3ccc(C#N)cc3)CCC2)n[nH]1 ZINC000594035871 349358352 /nfs/dbraw/zinc/35/83/52/349358352.db2.gz UYXCFDIMALOJCX-UHFFFAOYSA-N 0 1 295.390 2.969 20 30 CFEDMN Cc1ccnc([C@H]2CCN(Cc3ccnc(C#N)c3)C2)c1 ZINC000594008444 349352441 /nfs/dbraw/zinc/35/24/41/349352441.db2.gz NXFNXTVGWNYXAH-HNNXBMFYSA-N 0 1 278.359 2.646 20 30 CFEDMN COCCOc1ccc(CNCC2(C#N)CCCC2)cc1 ZINC000593652989 349304714 /nfs/dbraw/zinc/30/47/14/349304714.db2.gz VCNRWMJTKDSKSK-UHFFFAOYSA-N 0 1 288.391 2.885 20 30 CFEDMN CC[C@H](C#N)C(=O)Nc1cccc2c1OCC[C@H]2N(C)C ZINC000593665710 349306681 /nfs/dbraw/zinc/30/66/81/349306681.db2.gz FWUWISFDQVELRK-BXUZGUMPSA-N 0 1 287.363 2.560 20 30 CFEDMN CN(C)c1nc2ccc(NC(=O)CCCCC#N)cc2[nH]1 ZINC000594346141 349409832 /nfs/dbraw/zinc/40/98/32/349409832.db2.gz FRTZEKVPXLXKDT-UHFFFAOYSA-N 0 1 285.351 2.651 20 30 CFEDMN Cc1ccc2nc(NC(=O)CCCCC#N)[nH]c2c1 ZINC000594037695 349359409 /nfs/dbraw/zinc/35/94/09/349359409.db2.gz BIDOZTZELOSEDB-UHFFFAOYSA-N 0 1 256.309 2.894 20 30 CFEDMN CC(C)(C#N)c1ccc(CNCC(=O)NC2CCCC2)cc1 ZINC000594499968 349432314 /nfs/dbraw/zinc/43/23/14/349432314.db2.gz GCOPSNKNSNIDLQ-UHFFFAOYSA-N 0 1 299.418 2.636 20 30 CFEDMN C[C@H]1CN(Cc2ccc(C3(C#N)CC3)cc2)[C@@H](C)CO1 ZINC000596983532 350012676 /nfs/dbraw/zinc/01/26/76/350012676.db2.gz AUJHULHOMVTVFZ-KBPBESRZSA-N 0 1 270.376 2.851 20 30 CFEDMN CC[C@H](CC#N)N[C@@H](C)COc1ccc(CCOC)cc1 ZINC000597086125 350027757 /nfs/dbraw/zinc/02/77/57/350027757.db2.gz ILEZCXFGTTWNFO-GOEBONIOSA-N 0 1 290.407 2.925 20 30 CFEDMN CC[C@@H](CC#N)N[C@@H](C)COc1ccc(CCOC)cc1 ZINC000597086131 350028395 /nfs/dbraw/zinc/02/83/95/350028395.db2.gz ILEZCXFGTTWNFO-HOCLYGCPSA-N 0 1 290.407 2.925 20 30 CFEDMN COc1cccc(CN2CCC[C@@H](CC#N)C2)c1OC ZINC000597173315 350042968 /nfs/dbraw/zinc/04/29/68/350042968.db2.gz IILPRONROVHYDW-ZDUSSCGKSA-N 0 1 274.364 2.829 20 30 CFEDMN Cc1nn(C(C)C)cc1CN1CCC[C@@H](CC#N)C1 ZINC000597177011 350045224 /nfs/dbraw/zinc/04/52/24/350045224.db2.gz LMYWQMYFTYBZIB-AWEZNQCLSA-N 0 1 260.385 2.898 20 30 CFEDMN N#Cc1cnn2cc(CN3CCC(C4CCC4)CC3)cnc12 ZINC000597187471 350048035 /nfs/dbraw/zinc/04/80/35/350048035.db2.gz QAIGFVZZDPMBJN-UHFFFAOYSA-N 0 1 295.390 2.613 20 30 CFEDMN C[C@@H]1CCN(Cc2cc(C#N)cs2)C[C@H](C)O1 ZINC000597225667 350063054 /nfs/dbraw/zinc/06/30/54/350063054.db2.gz SFJJLRZUNSNOSU-MNOVXSKESA-N 0 1 250.367 2.619 20 30 CFEDMN N#C[C@@H]1CCC[C@@H](N[C@@H](CO)c2ccc(F)cc2F)C1 ZINC000597235177 350066590 /nfs/dbraw/zinc/06/65/90/350066590.db2.gz FLRIKEIMIIQZAM-HCKVZZMMSA-N 0 1 280.318 2.670 20 30 CFEDMN CC(C)[C@@H]1CN(C(=O)CC2(C#N)CCCCC2)CCN1C ZINC000597562767 350111905 /nfs/dbraw/zinc/11/19/05/350111905.db2.gz OXLBMAWDGDVMQR-HNNXBMFYSA-N 0 1 291.439 2.649 20 30 CFEDMN [O-]C(=[NH+]CCC1=CCCCC1)N1CCn2ccnc2C1 ZINC000329859431 539751218 /nfs/dbraw/zinc/75/12/18/539751218.db2.gz WQVVDQXRHRCLDD-UHFFFAOYSA-N 0 1 274.368 2.503 20 30 CFEDMN N#CC1(CC(=O)Nc2cccc(Cl)c2O)CCOCC1 ZINC000597442356 350098015 /nfs/dbraw/zinc/09/80/15/350098015.db2.gz WPHHKWJGDVFRDZ-UHFFFAOYSA-N 0 1 294.738 2.695 20 30 CFEDMN Cc1cc(C#N)ccc1-c1nc([C@H](N)CC(C)C)no1 ZINC000414624425 233307026 /nfs/dbraw/zinc/30/70/26/233307026.db2.gz VMQCVNSZXSPBPV-CYBMUJFWSA-N 0 1 270.336 2.963 20 30 CFEDMN CCC[C@H](C(=O)Nc1cc(C#N)ccc1C)N(C)C ZINC000271289417 191053785 /nfs/dbraw/zinc/05/37/85/191053785.db2.gz PCUOELXAYGIPJN-CQSZACIVSA-N 0 1 259.353 2.536 20 30 CFEDMN C[C@@H](C(=O)Nc1ccccc1C#N)N1CCC(C)(C)C1 ZINC000091439783 180155571 /nfs/dbraw/zinc/15/55/71/180155571.db2.gz PHPPUHJGEAULCU-LBPRGKRZSA-N 0 1 271.364 2.617 20 30 CFEDMN CCN(C(=O)c1cc(-c2ccc(C)cc2)[nH]n1)[C@H](C)C#N ZINC000598350631 350243604 /nfs/dbraw/zinc/24/36/04/350243604.db2.gz QPSXWOUHOHSNEC-GFCCVEGCSA-N 0 1 282.347 2.759 20 30 CFEDMN C=CCN(Cc1ccc(C(=O)OC)c(F)c1)C1CC1 ZINC000271347641 191087575 /nfs/dbraw/zinc/08/75/75/191087575.db2.gz CUYFVEKUJWGJRG-UHFFFAOYSA-N 0 1 263.312 2.763 20 30 CFEDMN C[C@]1(C#N)CCN(C(=O)c2cccc(C(F)(F)F)c2O)C1 ZINC000598420936 350266687 /nfs/dbraw/zinc/26/66/87/350266687.db2.gz WVECBEKKFISNTL-CYBMUJFWSA-N 0 1 298.264 2.787 20 30 CFEDMN CCCCCc1cc(C(=O)N2CC[C@@](C)(C#N)C2)n[nH]1 ZINC000598422042 350267599 /nfs/dbraw/zinc/26/75/99/350267599.db2.gz SPYLMSVNGATHFW-HNNXBMFYSA-N 0 1 274.368 2.518 20 30 CFEDMN COc1nc(C)cc(C)c1CN(C)CCCSCC#N ZINC000598647527 350301083 /nfs/dbraw/zinc/30/10/83/350301083.db2.gz DRPHSMJZKNTHPW-UHFFFAOYSA-N 0 1 293.436 2.786 20 30 CFEDMN CC1(C)CC[C@@H](CO)N(Cc2ccccc2C#N)C1 ZINC000598650054 350303091 /nfs/dbraw/zinc/30/30/91/350303091.db2.gz YCGMZJVMIDJKRB-HNNXBMFYSA-N 0 1 258.365 2.541 20 30 CFEDMN Cc1nccnc1CNC(C)(C)c1cccc(C#N)c1 ZINC000598650828 350303197 /nfs/dbraw/zinc/30/31/97/350303197.db2.gz PJDHSIHSFOOAGJ-UHFFFAOYSA-N 0 1 266.348 2.682 20 30 CFEDMN CC(C)(C#N)C[C@H](O)CNCc1cc(-c2ccccc2)on1 ZINC000598721671 350317982 /nfs/dbraw/zinc/31/79/82/350317982.db2.gz YBUTVYASODFSSA-HNNXBMFYSA-N 0 1 299.374 2.732 20 30 CFEDMN CCc1nc([C@H](C)NC[C@H](O)CC(C)(C)C#N)cs1 ZINC000598612966 350294086 /nfs/dbraw/zinc/29/40/86/350294086.db2.gz TUJCZKFZXMJSAZ-WDEREUQCSA-N 0 1 281.425 2.657 20 30 CFEDMN CCO[C@H]1C[C@H](N(C)Cc2ccc(C#N)o2)C12CCC2 ZINC000092040957 180311420 /nfs/dbraw/zinc/31/14/20/180311420.db2.gz NSSAIJYQMXPSER-GJZGRUSLSA-N 0 1 274.364 2.931 20 30 CFEDMN Cc1ccc(C(C)(C)CNCc2nc(C#N)cs2)nc1 ZINC000598992146 350355650 /nfs/dbraw/zinc/35/56/50/350355650.db2.gz XDRVDOZQHVPCRB-UHFFFAOYSA-N 0 1 286.404 2.786 20 30 CFEDMN CCOC(=O)[C@@H]1CCCN(Cc2ccc(C)c(C#N)c2)C1 ZINC000599253783 350400661 /nfs/dbraw/zinc/40/06/61/350400661.db2.gz QXXJOKDEBFPYHK-OAHLLOKOSA-N 0 1 286.375 2.642 20 30 CFEDMN CCn1cc([C@H](C)NCc2ccc(C)c(C#N)c2)cn1 ZINC000599434468 350437848 /nfs/dbraw/zinc/43/78/48/350437848.db2.gz BCJZPNFJFWYJDV-ZDUSSCGKSA-N 0 1 268.364 2.934 20 30 CFEDMN N#Cc1cccc(OCCN2CCc3c(O)cccc3C2)c1 ZINC000599644980 350471358 /nfs/dbraw/zinc/47/13/58/350471358.db2.gz BKJXMEKEFHXWCZ-UHFFFAOYSA-N 0 1 294.354 2.701 20 30 CFEDMN Cn1ccc(CN2CCc3c(CC#N)cccc3C2)c1 ZINC000600212271 350540822 /nfs/dbraw/zinc/54/08/22/350540822.db2.gz BGYUZXDXNJUYNZ-UHFFFAOYSA-N 0 1 265.360 2.649 20 30 CFEDMN C[C@H]1C[C@@H]1Cn1[nH]c(C(C)(C)C)c(CCC#N)c1=O ZINC000600672566 350594058 /nfs/dbraw/zinc/59/40/58/350594058.db2.gz OSMLXXAOVUYTDZ-WDEREUQCSA-N 0 1 261.369 2.998 20 30 CFEDMN C=CC[C@@H]1CC[N@H+](Cc2cc(C(=O)[O-])ccc2[N+](=O)[O-])C1 ZINC000600673814 350594961 /nfs/dbraw/zinc/59/49/61/350594961.db2.gz IZLSNIWYRPDIPC-LLVKDONJSA-N 0 1 290.319 2.691 20 30 CFEDMN CC(C)C[C@H](C(=O)[O-])[N@H+]1CCc2c(CC#N)cccc2C1 ZINC000600707413 350598413 /nfs/dbraw/zinc/59/84/13/350598413.db2.gz YOPWWDPPUXUPJJ-MRXNPFEDSA-N 0 1 286.375 2.610 20 30 CFEDMN CN(Cc1cn([C@@H]2CC[C@@H](C#N)C2)nn1)C1CCCCC1 ZINC000600813636 350617061 /nfs/dbraw/zinc/61/70/61/350617061.db2.gz QNSNTZDMBDSMBN-CZUORRHYSA-N 0 1 287.411 2.907 20 30 CFEDMN N#C[C@@H](Sc1nc(-c2ccccc2O)n[nH]1)C1CC1 ZINC000601073762 350658832 /nfs/dbraw/zinc/65/88/32/350658832.db2.gz DVWGVSZDQAGSAI-LLVKDONJSA-N 0 1 272.333 2.572 20 30 CFEDMN C=CCSCCNCc1c(OC)cc(F)cc1OC ZINC000601105517 350669010 /nfs/dbraw/zinc/66/90/10/350669010.db2.gz IWSXNGVEOSXSCQ-UHFFFAOYSA-N 0 1 285.384 2.852 20 30 CFEDMN Cn1nc2c(c1CNCc1ccc(CC#N)cc1)CCCC2 ZINC000601130268 350677686 /nfs/dbraw/zinc/67/76/86/350677686.db2.gz RYXYQQYRTVZWLQ-UHFFFAOYSA-N 0 1 294.402 2.655 20 30 CFEDMN C[C@@H]1CN(c2ncc(C#N)c3ccsc32)[C@@H](C)CN1C ZINC000601137341 350679283 /nfs/dbraw/zinc/67/92/83/350679283.db2.gz WIVVPMIVEKEIIT-MNOVXSKESA-N 0 1 286.404 2.697 20 30 CFEDMN N#Cc1ccc(CN[C@@H]2C[C@H]2C(F)(F)F)c(F)c1 ZINC000601159506 350685193 /nfs/dbraw/zinc/68/51/93/350685193.db2.gz JAFOKRFVLMMDDA-MWLCHTKSSA-N 0 1 258.218 2.738 20 30 CFEDMN Cc1cc(C2CCN(C(=O)C3(C#N)CC4(CC4)C3)CC2)n[nH]1 ZINC000601403531 350730398 /nfs/dbraw/zinc/73/03/98/350730398.db2.gz KFXIAPIFMJJRKP-UHFFFAOYSA-N 0 1 298.390 2.508 20 30 CFEDMN N#CC1(C[C@H](O)CN2CC3(CCC3)[C@H]2c2ccncc2)CC1 ZINC000601960684 350819565 /nfs/dbraw/zinc/81/95/65/350819565.db2.gz SAUWQYMUSZTVFS-JKSUJKDBSA-N 0 1 297.402 2.663 20 30 CFEDMN N#CCCN[C@@H]1[C@@H]2Cc3c(cccc3Br)[C@@H]21 ZINC000601968981 350821052 /nfs/dbraw/zinc/82/10/52/350821052.db2.gz QCJLSPSCJUIHMO-KGYLQXTDSA-N 0 1 277.165 2.590 20 30 CFEDMN CC(C)(C)c1nc[nH]c1C(=O)Nc1cc(F)cc(C#N)c1 ZINC000601710645 350766407 /nfs/dbraw/zinc/76/64/07/350766407.db2.gz BQVQKVMPDWKBHL-UHFFFAOYSA-N 0 1 286.310 2.970 20 30 CFEDMN Cc1cc2c[nH]nc2c(C(=O)N(C)[C@@H]2CCC[C@H]2C#N)c1 ZINC000601810716 350781634 /nfs/dbraw/zinc/78/16/34/350781634.db2.gz OXCJAUSWYYBBJN-SMDDNHRTSA-N 0 1 282.347 2.636 20 30 CFEDMN Cc1[nH]n(-c2ccc(F)c(F)c2F)c(=O)c1CCC#N ZINC000601934016 350807048 /nfs/dbraw/zinc/80/70/48/350807048.db2.gz IMMJYPYZBMXBCU-MRVPVSSYSA-N 0 1 281.237 2.746 20 30 CFEDMN Cc1[nH]n(-c2ccnc(C(F)(F)F)c2)c(=O)c1CCC#N ZINC000601943344 350811860 /nfs/dbraw/zinc/81/18/60/350811860.db2.gz DLTFRYMGVUVCIB-JTQLQIEISA-N 0 1 296.252 2.743 20 30 CFEDMN C[C@@H]1CCc2[nH]n(Cc3cccc(C#N)c3)c(=O)c2C1 ZINC000601944566 350812641 /nfs/dbraw/zinc/81/26/41/350812641.db2.gz LNPMEFWBIXTWJC-RISCZKNCSA-N 0 1 267.332 2.693 20 30 CFEDMN N#Cc1c(F)cccc1CN[C@@H]1CCCc2[nH]c(=O)ccc21 ZINC000602008057 350829685 /nfs/dbraw/zinc/82/96/85/350829685.db2.gz PMCGQONPIGCFDG-OAHLLOKOSA-N 0 1 297.333 2.965 20 30 CFEDMN N#Cc1c(F)cccc1CN[C@@H]1CCC(F)(F)C1 ZINC000602010795 350830613 /nfs/dbraw/zinc/83/06/13/350830613.db2.gz DRQRNHSSJGAZRK-SNVBAGLBSA-N 0 1 254.255 2.975 20 30 CFEDMN COC(=O)c1ccc(CN[C@H](C)c2cccc(C#N)c2)n1C ZINC000602015217 350832169 /nfs/dbraw/zinc/83/21/69/350832169.db2.gz ZROSWMJQJMXQEZ-GFCCVEGCSA-N 0 1 297.358 2.534 20 30 CFEDMN CCOC(C)(C)CNCc1cccc(F)c1C#N ZINC000602018176 350833359 /nfs/dbraw/zinc/83/33/59/350833359.db2.gz WLRZTOZFAMQEHK-UHFFFAOYSA-N 0 1 250.317 2.602 20 30 CFEDMN C[C@H]1SCC[C@@H]1NCc1cccc(F)c1C#N ZINC000602019835 350833981 /nfs/dbraw/zinc/83/39/81/350833981.db2.gz JPAXUEHVBCGJPO-RNCFNFMXSA-N 0 1 250.342 2.681 20 30 CFEDMN CO[C@H]([C@H](C)NCc1cccc(F)c1C#N)C1CC1 ZINC000602022762 350834021 /nfs/dbraw/zinc/83/40/21/350834021.db2.gz HAMDQZOSNNFVLU-ZUZCIYMTSA-N 0 1 262.328 2.600 20 30 CFEDMN N#Cc1c(F)cccc1CNC[C@@H](CO)C1CCCCC1 ZINC000602026487 350834858 /nfs/dbraw/zinc/83/48/58/350834858.db2.gz WUTAAKMSSIWIGE-HNNXBMFYSA-N 0 1 290.382 2.976 20 30 CFEDMN C[C@H](C(=O)Nc1ccccc1SC[C@@H](C)C#N)N(C)C ZINC000602096142 350840634 /nfs/dbraw/zinc/84/06/34/350840634.db2.gz KZQIFBXDZCZWBB-NWDGAFQWSA-N 0 1 291.420 2.827 20 30 CFEDMN CC(C)[C@@H]1CN(Cc2cccc(C#N)n2)CCS1 ZINC000602481607 350901040 /nfs/dbraw/zinc/90/10/40/350901040.db2.gz HCHHLSIPNXGXKD-AWEZNQCLSA-N 0 1 261.394 2.527 20 30 CFEDMN C=CCSCCNCc1nc2cc([N+](=O)[O-])ccc2o1 ZINC000602545836 350919197 /nfs/dbraw/zinc/91/91/97/350919197.db2.gz QJCPBOVVFOPDAC-UHFFFAOYSA-N 0 1 293.348 2.745 20 30 CFEDMN Cn1cc([C@@H](NCc2cccc(C#N)n2)C(C)(C)C)cn1 ZINC000602563876 350926191 /nfs/dbraw/zinc/92/61/91/350926191.db2.gz HNTABPONYLYMAB-OAHLLOKOSA-N 0 1 283.379 2.564 20 30 CFEDMN CCN(Cc1ccccc1)Cc1cccc(C#N)n1 ZINC000602430363 350878886 /nfs/dbraw/zinc/87/88/86/350878886.db2.gz YYGIVVKKXIONME-UHFFFAOYSA-N 0 1 251.333 2.975 20 30 CFEDMN C[C@H](CC#N)N(C)C[C@H]1CCN(c2ccccc2)C1 ZINC000602460696 350890534 /nfs/dbraw/zinc/89/05/34/350890534.db2.gz ASSWAYAPEGNIFA-HUUCEWRRSA-N 0 1 257.381 2.747 20 30 CFEDMN C[C@@H](CCC#N)CNCc1noc(-c2cccs2)n1 ZINC000602680434 350975850 /nfs/dbraw/zinc/97/58/50/350975850.db2.gz FNTLQDRPZGHPQM-JTQLQIEISA-N 0 1 276.365 2.828 20 30 CFEDMN COc1cc(CN[C@@H]2CC[C@H](C#N)C2)c(Cl)cc1O ZINC000602693322 350982624 /nfs/dbraw/zinc/98/26/24/350982624.db2.gz FUVFCJKKHUALRP-GXSJLCMTSA-N 0 1 280.755 2.836 20 30 CFEDMN CO[C@H](CNCC1(C#N)CCC1)Cc1ccccc1 ZINC000602695275 350983933 /nfs/dbraw/zinc/98/39/33/350983933.db2.gz LGWJNPKZSJXWFY-HNNXBMFYSA-N 0 1 258.365 2.528 20 30 CFEDMN C[C@H](CCC#N)CN1CCN(c2ccsc2C#N)CC1 ZINC000602706837 350991185 /nfs/dbraw/zinc/99/11/85/350991185.db2.gz MTSCZQIRZBCGST-CYBMUJFWSA-N 0 1 288.420 2.682 20 30 CFEDMN N#Cc1cccc(CN2CC[C@@H](CC(F)(F)F)C2)n1 ZINC000602632368 350954088 /nfs/dbraw/zinc/95/40/88/350954088.db2.gz ILBULDDFGZWMBT-JTQLQIEISA-N 0 1 269.270 2.728 20 30 CFEDMN CC(C)(CO)[C@@H](NCc1cccc(C#N)n1)c1ccccc1 ZINC000602636551 350956196 /nfs/dbraw/zinc/95/61/96/350956196.db2.gz IQBNCVFQPCJFOL-KRWDZBQOSA-N 0 1 295.386 2.803 20 30 CFEDMN COc1ccc(CN(C)CC2(CC#N)CC2)c(OC)c1 ZINC000602761654 351016259 /nfs/dbraw/zinc/01/62/59/351016259.db2.gz XFDHGIDCABISSS-UHFFFAOYSA-N 0 1 274.364 2.829 20 30 CFEDMN C=CCN(CCc1cnccn1)Cc1cccc([N+](=O)[O-])c1 ZINC000602770291 351019276 /nfs/dbraw/zinc/01/92/76/351019276.db2.gz YYPIBZRCRDOAMK-UHFFFAOYSA-N 0 1 298.346 2.616 20 30 CFEDMN N#CCC1(CN2CCC=C(c3cccnc3)C2)CC1 ZINC000602825432 351037747 /nfs/dbraw/zinc/03/77/47/351037747.db2.gz ASSMMFKGYWKBNP-UHFFFAOYSA-N 0 1 253.349 2.865 20 30 CFEDMN Cc1cc(CN2CCC[C@H]2c2cn[nH]c2)ccc1C#N ZINC000602878785 351056560 /nfs/dbraw/zinc/05/65/60/351056560.db2.gz AQSNHLPYLTXWLC-INIZCTEOSA-N 0 1 266.348 2.927 20 30 CFEDMN Cc1ccc(CN2CCC[C@@H]2c2cn[nH]c2)cc1C#N ZINC000602889087 351058098 /nfs/dbraw/zinc/05/80/98/351058098.db2.gz WKSZQKAJNLEPTF-MRXNPFEDSA-N 0 1 266.348 2.927 20 30 CFEDMN CN(CCC(=O)Nc1ccc(F)cc1)[C@@H]1CCC[C@@H]1C#N ZINC000602976761 351077697 /nfs/dbraw/zinc/07/76/97/351077697.db2.gz SINMFFUNIADYIQ-IUODEOHRSA-N 0 1 289.354 2.778 20 30 CFEDMN CN(CCCOCC(F)(F)F)[C@@H]1CCC[C@H]1C#N ZINC000602977063 351078006 /nfs/dbraw/zinc/07/80/06/351078006.db2.gz XGGXFYDOHZQUKA-WDEREUQCSA-N 0 1 264.291 2.579 20 30 CFEDMN CN(C[C@H](O)C1CCCCC1)[C@H]1CCC[C@H]1C#N ZINC000602979201 351079902 /nfs/dbraw/zinc/07/99/02/351079902.db2.gz BBTWJAPMJYNDBJ-KKUMJFAQSA-N 0 1 250.386 2.552 20 30 CFEDMN CN(Cc1ccc(-n2ccnc2)cc1)[C@H]1CCC[C@H]1C#N ZINC000602980607 351082029 /nfs/dbraw/zinc/08/20/29/351082029.db2.gz SFVJHJSVHRZBKJ-RDJZCZTQSA-N 0 1 280.375 2.996 20 30 CFEDMN CC[C@]1(O)CCCN(Cc2cn3ccccc3c2C#N)C1 ZINC000602981952 351083550 /nfs/dbraw/zinc/08/35/50/351083550.db2.gz LRSRBCFCUPHKAR-KRWDZBQOSA-N 0 1 283.375 2.548 20 30 CFEDMN CO[C@H](CN(C)[C@H]1CCC[C@H]1C#N)C1CCCC1 ZINC000602981611 351083579 /nfs/dbraw/zinc/08/35/79/351083579.db2.gz GQRWIFIVKQLFAX-SOUVJXGZSA-N 0 1 250.386 2.816 20 30 CFEDMN C[C@H](c1ccccc1)[C@H](O)CN(C)[C@@H]1CCC[C@@H]1C#N ZINC000602982419 351083821 /nfs/dbraw/zinc/08/38/21/351083821.db2.gz SBBJSLAWCGFYGD-MWQQHZPXSA-N 0 1 272.392 2.775 20 30 CFEDMN N#CCSCCCN1CCN(c2cccc(F)c2)CC1 ZINC000603012806 351091119 /nfs/dbraw/zinc/09/11/19/351091119.db2.gz FGTUTHOGTPNSGP-UHFFFAOYSA-N 0 1 293.411 2.595 20 30 CFEDMN Cc1[nH]n(-c2cc(C)cc(C)c2)c(=O)c1CCC#N ZINC000603923790 351192008 /nfs/dbraw/zinc/19/20/08/351192008.db2.gz PEUXKBPKNZGVBW-AWEZNQCLSA-N 0 1 255.321 2.946 20 30 CFEDMN Cc1[nH]n(-c2ccc(F)cc2F)c(=O)c1CCC#N ZINC000603923687 351192103 /nfs/dbraw/zinc/19/21/03/351192103.db2.gz LKBLMMODYKKQPT-SNVBAGLBSA-N 0 1 263.247 2.607 20 30 CFEDMN Cc1nn(C)cc1C(=O)C(C#N)c1ccc2ccccc2n1 ZINC000603627755 351176455 /nfs/dbraw/zinc/17/64/55/351176455.db2.gz MGVBRAQDDXRFNX-CYBMUJFWSA-N 0 1 290.326 2.767 20 30 CFEDMN Cc1nc2ccc(Cn3c(C)c(C)nc3C#N)cc2[nH]1 ZINC000603349232 351144897 /nfs/dbraw/zinc/14/48/97/351144897.db2.gz UCPOVQQXPJSBJV-UHFFFAOYSA-N 0 1 265.320 2.605 20 30 CFEDMN CC(C)[C@H](C#N)N1CCN([C@H](C)c2ccccc2)CC1 ZINC000609538626 351505835 /nfs/dbraw/zinc/50/58/35/351505835.db2.gz MKBYGEBMLJJCJM-WBVHZDCISA-N 0 1 271.408 2.913 20 30 CFEDMN CCC[C@@H](C#N)NC(=O)c1ccc(Nc2ccncc2)cc1 ZINC000609847797 351522024 /nfs/dbraw/zinc/52/20/24/351522024.db2.gz JOPUNRGRNRBIEA-INIZCTEOSA-N 0 1 294.358 2.669 20 30 CFEDMN CCN(Cc1cc(F)ccc1C#N)C[C@H]1CCOC1 ZINC000610728809 351598522 /nfs/dbraw/zinc/59/85/22/351598522.db2.gz PMQCRORGOWGWDS-GFCCVEGCSA-N 0 1 262.328 2.556 20 30 CFEDMN CCCCCNC(=O)[C@@H](C)N[C@H](C)c1cccc(C#N)c1 ZINC000610343556 351556987 /nfs/dbraw/zinc/55/69/87/351556987.db2.gz LBDSRZVFNBNYJU-ZIAGYGMSSA-N 0 1 287.407 2.904 20 30 CFEDMN CC[C@H](C)NC(=O)[C@H](C)N[C@H](C)c1cccc(C#N)c1 ZINC000610346055 351557245 /nfs/dbraw/zinc/55/72/45/351557245.db2.gz JFNDFXPTXZDSLJ-XQQFMLRXSA-N 0 1 273.380 2.512 20 30 CFEDMN N#Cc1cc(CN2CCC(c3cccnc3)CC2)ccn1 ZINC000611258798 351660201 /nfs/dbraw/zinc/66/02/01/351660201.db2.gz NMGPQRVFLVSDPX-UHFFFAOYSA-N 0 1 278.359 2.728 20 30 CFEDMN CCN(Cc1ccc(OC)cc1)Cc1ccnc(C#N)c1 ZINC000610991776 351630011 /nfs/dbraw/zinc/63/00/11/351630011.db2.gz JHWVYJIQNAQPSV-UHFFFAOYSA-N 0 1 281.359 2.984 20 30 CFEDMN N#Cc1cc(CN2CCC[C@@H]2c2ccc(O)cc2)ccn1 ZINC000610993412 351631489 /nfs/dbraw/zinc/63/14/89/351631489.db2.gz OPVNZGMPCIGDCV-QGZVFWFLSA-N 0 1 279.343 2.996 20 30 CFEDMN CCCN(CCC)C(=O)CN[C@H](C)c1cccc(C#N)c1 ZINC000611389080 351679005 /nfs/dbraw/zinc/67/90/05/351679005.db2.gz QBINNKGDQUHWGS-CQSZACIVSA-N 0 1 287.407 2.857 20 30 CFEDMN Cc1cc(CN[C@H]2CCCc3cc(C#N)ccc32)ncn1 ZINC000611394591 351682173 /nfs/dbraw/zinc/68/21/73/351682173.db2.gz RUFOEJCOIJSQPA-KRWDZBQOSA-N 0 1 278.359 2.824 20 30 CFEDMN C[C@@H]1CCN(CCC(=O)Nc2cccc(C#N)c2)C[C@H]1F ZINC000611502110 351698895 /nfs/dbraw/zinc/69/88/95/351698895.db2.gz NPDWVYPDELWWIL-IUODEOHRSA-N 0 1 289.354 2.567 20 30 CFEDMN C[C@H]1CCN(CCC(=O)Nc2ccc(C#N)cc2)C[C@@H]1F ZINC000611502007 351699612 /nfs/dbraw/zinc/69/96/12/351699612.db2.gz LQZYZYQORBVZPF-WFASDCNBSA-N 0 1 289.354 2.567 20 30 CFEDMN COC(=O)c1ccc(CN[C@@H](C)c2cccc(C#N)c2)[nH]1 ZINC000611622243 351716734 /nfs/dbraw/zinc/71/67/34/351716734.db2.gz IKAMQTOFBIIFFW-NSHDSACASA-N 0 1 283.331 2.524 20 30 CFEDMN N#Cc1ccc(CN[C@@H]2CCN(c3ccccc3F)C2)o1 ZINC000291715189 198068306 /nfs/dbraw/zinc/06/83/06/198068306.db2.gz LUWOBGPEEKSQIZ-GFCCVEGCSA-N 0 1 285.322 2.659 20 30 CFEDMN C[C@]1(C#N)CCCN(Cc2ccc3nc[nH]c3c2)C1 ZINC000612406772 351816441 /nfs/dbraw/zinc/81/64/41/351816441.db2.gz SVGZECQIPOWUKE-OAHLLOKOSA-N 0 1 254.337 2.689 20 30 CFEDMN C[C@H](c1cccc(C#N)c1)N1CCC(F)(F)[C@H](CO)C1 ZINC000291950940 198115461 /nfs/dbraw/zinc/11/54/61/198115461.db2.gz UPMXCMYGVZQPOD-RISCZKNCSA-N 0 1 280.318 2.569 20 30 CFEDMN CC(C)(C)c1ccc(C#N)c(N2CCc3cn[nH]c3C2)n1 ZINC000613428019 351957576 /nfs/dbraw/zinc/95/75/76/351957576.db2.gz RYVHRDXSHIDAHJ-UHFFFAOYSA-N 0 1 281.363 2.537 20 30 CFEDMN CNC(=O)[C@H]1CCCCN1Cc1ccc(C(C)(C)C#N)cc1 ZINC000614166297 352055342 /nfs/dbraw/zinc/05/53/42/352055342.db2.gz AADCRXWWWLHIBZ-MRXNPFEDSA-N 0 1 299.418 2.588 20 30 CFEDMN C=CCN(C[C@H](O)c1ccc(F)cc1F)C1CC1 ZINC000271454258 191146766 /nfs/dbraw/zinc/14/67/66/191146766.db2.gz OSXBLGASQLRTSP-AWEZNQCLSA-N 0 1 253.292 2.649 20 30 CFEDMN C#CCOc1ccc([C@@H](C)NCc2cnn(CC)c2)cc1 ZINC000271469606 191154843 /nfs/dbraw/zinc/15/48/43/191154843.db2.gz IQFOCXYLZQFRAZ-CQSZACIVSA-N 0 1 283.375 2.766 20 30 CFEDMN C[C@H](NCc1ccc(C#N)cn1)c1ccc2c(c1)OCCO2 ZINC000615092245 352152337 /nfs/dbraw/zinc/15/23/37/352152337.db2.gz PPLMPUOTTWHELS-LBPRGKRZSA-N 0 1 295.342 2.575 20 30 CFEDMN CN(CCOC(C)(C)C)Cc1ccc(C#N)c(F)c1 ZINC000616761950 352427989 /nfs/dbraw/zinc/42/79/89/352427989.db2.gz PTJJGKRWKXHTKZ-UHFFFAOYSA-N 0 1 264.344 2.944 20 30 CFEDMN C=CC[C@@H]1CCCC[C@@H]1NC(=O)[C@@H](C)Cc1cnc[nH]1 ZINC000617044454 352479835 /nfs/dbraw/zinc/47/98/35/352479835.db2.gz NREQERHQCSJHIJ-GUTXKFCHSA-N 0 1 275.396 2.839 20 30 CFEDMN COCC(C)(C)N(C)Cc1cn2ccccc2c1C#N ZINC000292095700 198161675 /nfs/dbraw/zinc/16/16/75/198161675.db2.gz FVAZNVTVNRSYSF-UHFFFAOYSA-N 0 1 271.364 2.668 20 30 CFEDMN C=CCN(C(=O)c1cc(-c2ccccc2)[nH]n1)[C@@H](C)COC ZINC000617575784 352594098 /nfs/dbraw/zinc/59/40/98/352594098.db2.gz DXKCJDFKXIRVAR-ZDUSSCGKSA-N 0 1 299.374 2.740 20 30 CFEDMN CCCc1cc(C(=O)N2CCCC(C)(C)[C@@H]2C#N)n[nH]1 ZINC000618038303 352703151 /nfs/dbraw/zinc/70/31/51/352703151.db2.gz OFXMFXSGRIFPEL-ZDUSSCGKSA-N 0 1 274.368 2.517 20 30 CFEDMN C=Cn1cc(CN[C@@H](C)c2cccc(C#N)c2)cn1 ZINC000618598987 352830542 /nfs/dbraw/zinc/83/05/42/352830542.db2.gz VBJCWZHQCMTGTK-LBPRGKRZSA-N 0 1 252.321 2.706 20 30 CFEDMN C[C@@H](CCC#N)CN1CCN(CC(F)(F)F)CC1(C)C ZINC000618888064 352905575 /nfs/dbraw/zinc/90/55/75/352905575.db2.gz QPJVPRSVJVHKCD-LBPRGKRZSA-N 0 1 291.361 2.885 20 30 CFEDMN Cc1cc(C#N)ccc1CN1C[C@H](C)O[C@@H](C2CC2)C1 ZINC000619283092 352989617 /nfs/dbraw/zinc/98/96/17/352989617.db2.gz KUUNJKOVTCRZOM-SUMWQHHRSA-N 0 1 270.376 2.866 20 30 CFEDMN N#CCC1(CNCc2ncccc2C(F)(F)F)CC1 ZINC000619530078 353033574 /nfs/dbraw/zinc/03/35/74/353033574.db2.gz VTEXEUUSKGBZMT-UHFFFAOYSA-N 0 1 269.270 2.884 20 30 CFEDMN CCc1nn(C)cc1CNCc1ccc(C#N)c(Cl)c1 ZINC000619748574 353063347 /nfs/dbraw/zinc/06/33/47/353063347.db2.gz IXTRVJPWUBZECR-UHFFFAOYSA-N 0 1 288.782 2.797 20 30 CFEDMN COc1ccc(CNCc2ccc(C#N)c(Cl)c2)cn1 ZINC000619748570 353063427 /nfs/dbraw/zinc/06/34/27/353063427.db2.gz IUKVNQJWTKZQQG-UHFFFAOYSA-N 0 1 287.750 2.905 20 30 CFEDMN C[C@H](NCC(=O)NC1(C#N)CCCCC1)c1ccsc1 ZINC000619783812 353066356 /nfs/dbraw/zinc/06/63/56/353066356.db2.gz ZPAGMNJMSLTJIL-LBPRGKRZSA-N 0 1 291.420 2.741 20 30 CFEDMN C[C@H]1CC[N@@H+](CCCC2(C#N)CCOCC2)C[C@@H]1F ZINC000619621211 353040812 /nfs/dbraw/zinc/04/08/12/353040812.db2.gz NURHMGITUGHBNE-KBPBESRZSA-N 0 1 268.376 2.767 20 30 CFEDMN C#CCN1CCC[C@H](c2nc3c(s2)CCCC3)C1 ZINC000152710814 188037520 /nfs/dbraw/zinc/03/75/20/188037520.db2.gz SFKQNIFYYSKVTG-LBPRGKRZSA-N 0 1 260.406 2.835 20 30 CFEDMN C=C1C[C@H]2CC[C@@H](C1)N2C(=O)c1cc(-c2ccn(C)c2)[nH]n1 ZINC000620302938 353148082 /nfs/dbraw/zinc/14/80/82/353148082.db2.gz DCXZCGULIOKWEE-OKILXGFUSA-N 0 1 296.374 2.738 20 30 CFEDMN Cc1ccoc1CN(C)C[C@@H](O)c1ccc(C#N)cc1 ZINC000292339240 198251470 /nfs/dbraw/zinc/25/14/70/198251470.db2.gz PBJRZUUESNQVAO-OAHLLOKOSA-N 0 1 270.332 2.625 20 30 CFEDMN C[C@H](c1ccccn1)N1CC[C@H](Oc2ccc(C#N)cn2)C1 ZINC000292366766 198260977 /nfs/dbraw/zinc/26/09/77/198260977.db2.gz YJGZOYJXMDRPRQ-HIFRSBDPSA-N 0 1 294.358 2.563 20 30 CFEDMN N#Cc1ccsc1NC(=O)CN(C1CCC1)C1CCC1 ZINC000292353670 198256785 /nfs/dbraw/zinc/25/67/85/198256785.db2.gz HOISJFJKLHYCTB-UHFFFAOYSA-N 0 1 289.404 2.965 20 30 CFEDMN C=CCN(C)C(=O)NC[C@H](c1ccc(C)o1)N1CCCC1 ZINC000154339966 188137106 /nfs/dbraw/zinc/13/71/06/188137106.db2.gz PLXXHHIGWZDHFV-CQSZACIVSA-N 0 1 291.395 2.552 20 30 CFEDMN C=C(C)CNC(=O)[C@@H](c1ccccc1)N(CC)CC ZINC000154362216 188137878 /nfs/dbraw/zinc/13/78/78/188137878.db2.gz QOWJVWTZTALNFF-OAHLLOKOSA-N 0 1 260.381 2.762 20 30 CFEDMN COc1cc(C#N)ccc1CSc1nc(C2CC2)n[nH]1 ZINC000154964450 188173224 /nfs/dbraw/zinc/17/32/24/188173224.db2.gz WBVRFYRKQPKHIO-UHFFFAOYSA-N 0 1 286.360 2.855 20 30 CFEDMN COc1cc(C#N)ccc1CSc1n[nH]c(C2CC2)n1 ZINC000154964450 188173226 /nfs/dbraw/zinc/17/32/26/188173226.db2.gz WBVRFYRKQPKHIO-UHFFFAOYSA-N 0 1 286.360 2.855 20 30 CFEDMN C=C(C)C[C@H](C)C(=O)NC[C@@H]1CCN1Cc1ccccc1 ZINC000620770591 353229988 /nfs/dbraw/zinc/22/99/88/353229988.db2.gz BGYCPOYMYJTHAC-RDJZCZTQSA-N 0 1 286.419 2.979 20 30 CFEDMN C=C(C)C[C@H](C)C(=O)NC[C@H]1CCN1Cc1ccccc1 ZINC000620770587 353230493 /nfs/dbraw/zinc/23/04/93/353230493.db2.gz BGYCPOYMYJTHAC-DOTOQJQBSA-N 0 1 286.419 2.979 20 30 CFEDMN CC#CCCCC(=O)NC[C@H]1CCN1Cc1ccccc1 ZINC000620774032 353230990 /nfs/dbraw/zinc/23/09/90/353230990.db2.gz WSENEBLJMSQWHM-QGZVFWFLSA-N 0 1 284.403 2.571 20 30 CFEDMN C=C(C)CN(CC)[C@H](C)C(=O)NCc1ccccc1OC ZINC000155138740 188186123 /nfs/dbraw/zinc/18/61/23/188186123.db2.gz GCHMSWUOSHMWRF-CQSZACIVSA-N 0 1 290.407 2.598 20 30 CFEDMN C=C(C)CN(CC)[C@@H](C)C(=O)Nc1ccc(OC)cc1 ZINC000155133281 188186132 /nfs/dbraw/zinc/18/61/32/188186132.db2.gz FOYLYZCMFRKGJP-ZDUSSCGKSA-N 0 1 276.380 2.920 20 30 CFEDMN CN(CC#Cc1cccc(Cl)c1)C[C@H]1CCCO1 ZINC000156230427 188250097 /nfs/dbraw/zinc/25/00/97/188250097.db2.gz YRVABIOWUFPCEA-OAHLLOKOSA-N 0 1 263.768 2.802 20 30 CFEDMN C[C@@H](NCC(=O)NCC1CCCCC1)c1ccc(C#N)cc1 ZINC000271688491 191277624 /nfs/dbraw/zinc/27/76/24/191277624.db2.gz QYQZCXIFPJHSBM-CQSZACIVSA-N 0 1 299.418 2.905 20 30 CFEDMN C[C@@H](N(C)Cc1ccc(Cl)cc1C#N)C(C)(C)O ZINC000295182369 199392327 /nfs/dbraw/zinc/39/23/27/199392327.db2.gz PWJBNBNWLAAWBC-SNVBAGLBSA-N 0 1 266.772 2.803 20 30 CFEDMN C=CCC[C@@H](NCc1cnnn1C)c1ccccc1 ZINC000158828809 188396534 /nfs/dbraw/zinc/39/65/34/188396534.db2.gz OIVGGKSRAMWXTC-OAHLLOKOSA-N 0 1 256.353 2.612 20 30 CFEDMN C=CC(C)(C)CCNC(=O)N1CCN(C)[C@H](C(C)C)C1 ZINC000624463852 353886532 /nfs/dbraw/zinc/88/65/32/353886532.db2.gz AFQODUMUVZUBCO-AWEZNQCLSA-N 0 1 281.444 2.570 20 30 CFEDMN C=C(C)CN(CC)C(=O)CN1C[C@@H](C)C(F)(F)[C@H](C)C1 ZINC000625646896 354078141 /nfs/dbraw/zinc/07/81/41/354078141.db2.gz LELYTOUFGLRDAW-CHWSQXEVSA-N 0 1 288.382 2.634 20 30 CFEDMN C=CC[C@H]1CCN(CC(=O)Nc2ccccc2OCC)C1 ZINC000625705259 354092516 /nfs/dbraw/zinc/09/25/16/354092516.db2.gz ZJKKWVGXZNPHPO-AWEZNQCLSA-N 0 1 288.391 2.922 20 30 CFEDMN CN(CC#Cc1cccc(Cl)c1)CC1(C)COC1 ZINC000625791162 354113413 /nfs/dbraw/zinc/11/34/13/354113413.db2.gz JYHLENNWKHNLDU-UHFFFAOYSA-N 0 1 263.768 2.660 20 30 CFEDMN COc1cc(C#N)ccc1CN[C@@H](CCO)c1ccccc1 ZINC000271727412 191293466 /nfs/dbraw/zinc/29/34/66/191293466.db2.gz XWTAKPPCJQJXBY-KRWDZBQOSA-N 0 1 296.370 2.780 20 30 CFEDMN C=CC[C@H]1CCN(C(=O)Nc2cnn(-c3ccncc3)c2)C1 ZINC000626410514 354263631 /nfs/dbraw/zinc/26/36/31/354263631.db2.gz KSCGAUPZJVOHQT-ZDUSSCGKSA-N 0 1 297.362 2.697 20 30 CFEDMN C=CCC1(C(=O)N2CCc3nc[nH]c3C2)CCCCC1 ZINC000627373643 354363408 /nfs/dbraw/zinc/36/34/08/354363408.db2.gz XEXWFNAQQFFCHW-UHFFFAOYSA-N 0 1 273.380 2.821 20 30 CFEDMN C#CC[C@@H](NCC(=O)N1CCC[C@H](C)C1)c1ccccc1 ZINC000271741815 191301604 /nfs/dbraw/zinc/30/16/04/191301604.db2.gz VRMOIMXMOBIVAC-DOTOQJQBSA-N 0 1 284.403 2.599 20 30 CFEDMN C=CCN1C(=O)N=NC1S[C@@H]1CCCC[C@@H]1C ZINC000629162728 354762400 /nfs/dbraw/zinc/76/24/00/354762400.db2.gz ZVAHNPNACVNZLG-VHSXEESVSA-N 0 1 253.371 2.841 20 30 CFEDMN C=CCOc1ccc(C[N@H+]2CC[C@H](C(=O)[O-])[C@@H](C)C2)cc1 ZINC000629772849 354927892 /nfs/dbraw/zinc/92/78/92/354927892.db2.gz YEVMIIKYVLEUBK-BBRMVZONSA-N 0 1 289.375 2.794 20 30 CFEDMN C=CC[C@@H]1CCCC[C@H]1NC(=O)CN(C)C1CCC1 ZINC000630017750 354984668 /nfs/dbraw/zinc/98/46/68/354984668.db2.gz VOVWFCBZJSOVJF-UKRRQHHQSA-N 0 1 264.413 2.722 20 30 CFEDMN C=CC[C@H]1CCCC[C@H]1NC(=O)CN(C)C1CCC1 ZINC000630017748 354984681 /nfs/dbraw/zinc/98/46/81/354984681.db2.gz VOVWFCBZJSOVJF-DZGCQCFKSA-N 0 1 264.413 2.722 20 30 CFEDMN C=C1CC(C)(C(=O)NC[C@H](c2ccco2)N2CCCC2)C1 ZINC000630469798 355091380 /nfs/dbraw/zinc/09/13/80/355091380.db2.gz YVMFNAGYBOCEID-CQSZACIVSA-N 0 1 288.391 2.889 20 30 CFEDMN C=C1CC(C)(C(=O)NC[C@H](c2ccc(F)cc2)N(C)C)C1 ZINC000630784023 355176273 /nfs/dbraw/zinc/17/62/73/355176273.db2.gz RHBFBGLHEDQWHL-OAHLLOKOSA-N 0 1 290.382 2.901 20 30 CFEDMN C=CCCC(C)(C)CNC(=O)[C@H](C)Cc1cnc[nH]1 ZINC000633966098 356046860 /nfs/dbraw/zinc/04/68/60/356046860.db2.gz FHFTXHMMYVFRNL-GFCCVEGCSA-N 0 1 263.385 2.697 20 30 CFEDMN N#Cc1nc(N[C@@H]2CCCc3cn[nH]c32)ccc1Cl ZINC000268895921 283251561 /nfs/dbraw/zinc/25/15/61/283251561.db2.gz YWLSKSZCDOCKSH-SNVBAGLBSA-N 0 1 273.727 2.819 20 30 CFEDMN C=CCC[C@H](C)NCc1ncc(C(F)(F)F)cn1 ZINC000294724690 199153620 /nfs/dbraw/zinc/15/36/20/199153620.db2.gz CUCMKRCFKSPQBN-VIFPVBQESA-N 0 1 259.275 2.940 20 30 CFEDMN C[C@@H]1C[C@@H](NCc2cc(C#N)n(C)c2)c2ccccc2O1 ZINC000294935878 199259701 /nfs/dbraw/zinc/25/97/01/199259701.db2.gz BXDNOZWESXZFJF-MLGOLLRUSA-N 0 1 281.359 2.899 20 30 CFEDMN CC1(C)C[N@@H+](CC#Cc2ccc(Cl)cc2)CC[C@@H]1O ZINC000275518088 540441647 /nfs/dbraw/zinc/44/16/47/540441647.db2.gz UQJKQMNVKFZEQL-HNNXBMFYSA-N 0 1 277.795 2.784 20 30 CFEDMN CC1(C)CN(CC#Cc2ccc(Cl)cc2)CC[C@@H]1O ZINC000275518088 540441651 /nfs/dbraw/zinc/44/16/51/540441651.db2.gz UQJKQMNVKFZEQL-HNNXBMFYSA-N 0 1 277.795 2.784 20 30 CFEDMN CCCNC(=O)CN(CCC)[C@@H](C)c1cccc(C#N)c1 ZINC000298025493 200319447 /nfs/dbraw/zinc/31/94/47/200319447.db2.gz DTHMKUQVQVAEFQ-AWEZNQCLSA-N 0 1 287.407 2.857 20 30 CFEDMN C#CCNC(=O)[C@@H](C)Nc1ccc(N2CCCCCC2)cc1 ZINC000298113255 200336739 /nfs/dbraw/zinc/33/67/39/200336739.db2.gz QLMMLAURSFRXJZ-OAHLLOKOSA-N 0 1 299.418 2.617 20 30 CFEDMN CCOC1(C)CCN(Cc2ccc(C#N)cc2OC)CC1 ZINC000298221767 200364600 /nfs/dbraw/zinc/36/46/00/200364600.db2.gz GFJOLWICTVFSOQ-UHFFFAOYSA-N 0 1 288.391 2.958 20 30 CFEDMN CC(C)(C)OC(=O)[C@@H]1CCN(Cc2cccc(C#N)c2)C1 ZINC000178509033 189121947 /nfs/dbraw/zinc/12/19/47/189121947.db2.gz OPQSTXWMVHHSRV-OAHLLOKOSA-N 0 1 286.375 2.722 20 30 CFEDMN C#CCN1CCC(C(=O)N(C)c2ccc(C)c(C)c2)CC1 ZINC000299353245 200693248 /nfs/dbraw/zinc/69/32/48/200693248.db2.gz OLIMKXKUDKNFII-UHFFFAOYSA-N 0 1 284.403 2.611 20 30 CFEDMN C=CCNC(=O)[C@@H](C)N[C@H](C)c1cccc(OC(F)F)c1 ZINC000179593431 189205390 /nfs/dbraw/zinc/20/53/90/189205390.db2.gz SQISIMJDFRPQBH-GHMZBOCLSA-N 0 1 298.333 2.629 20 30 CFEDMN N#C[C@H](C(=O)c1occ2c1CCC2)c1ccccn1 ZINC000671749618 541073570 /nfs/dbraw/zinc/07/35/70/541073570.db2.gz WGTUUQMQOFKTKX-LBPRGKRZSA-N 0 1 252.273 2.653 20 30 CFEDMN N#CC(C(=O)c1occ2c1CCC2)c1ccccn1 ZINC000671749618 541073573 /nfs/dbraw/zinc/07/35/73/541073573.db2.gz WGTUUQMQOFKTKX-LBPRGKRZSA-N 0 1 252.273 2.653 20 30 CFEDMN CC1=CCN(CCNc2ccc(C#N)cc2[N+](=O)[O-])CC1 ZINC000302166336 201375868 /nfs/dbraw/zinc/37/58/68/201375868.db2.gz RLPFGIBVLWBDRY-UHFFFAOYSA-N 0 1 286.335 2.530 20 30 CFEDMN C=C[C@](C)(O)C(=O)Nc1ccc2nc(C3CCC3)[nH]c2c1 ZINC000667732590 541301851 /nfs/dbraw/zinc/30/18/51/541301851.db2.gz HOFOPDWWJKBRJG-INIZCTEOSA-N 0 1 285.347 2.706 20 30 CFEDMN C=CCC[C@@H](O)CN1CCC[C@H]1c1nc2c([nH]1)CCCC2 ZINC000275517542 193065760 /nfs/dbraw/zinc/06/57/60/193065760.db2.gz BGUCFUFQMFMSOS-CJNGLKHVSA-N 0 1 289.423 2.753 20 30 CFEDMN COc1ccc(CNCc2ccc(C#N)c(C)c2)cn1 ZINC000443972039 241100927 /nfs/dbraw/zinc/10/09/27/241100927.db2.gz VYBZYCGJJDOVFU-UHFFFAOYSA-N 0 1 267.332 2.560 20 30 CFEDMN Cc1cc(CNc2ccc3nn[nH]c3c2)ccc1C#N ZINC000444002571 241106674 /nfs/dbraw/zinc/10/66/74/241106674.db2.gz ORPWOTODIDQQKF-UHFFFAOYSA-N 0 1 263.304 2.750 20 30 CFEDMN Cc1cc(CNc2ccc3n[nH]nc3c2)ccc1C#N ZINC000444002571 241106678 /nfs/dbraw/zinc/10/66/78/241106678.db2.gz ORPWOTODIDQQKF-UHFFFAOYSA-N 0 1 263.304 2.750 20 30 CFEDMN COc1ccnc(NCc2ccc(C#N)c(C)c2)c1 ZINC000444004589 241106806 /nfs/dbraw/zinc/10/68/06/241106806.db2.gz YUKPJFKAOJZITE-UHFFFAOYSA-N 0 1 253.305 2.882 20 30 CFEDMN C=C1CCN(C(=O)c2c(C)n[nH]c2C(F)(F)F)CC1 ZINC000673740928 541510542 /nfs/dbraw/zinc/51/05/42/541510542.db2.gz LHDGBMFVNINWLL-UHFFFAOYSA-N 0 1 273.258 2.529 20 30 CFEDMN N#Cc1cc(F)c(C(=O)Nc2ccc3nc[nH]c3c2)c(F)c1 ZINC000446093981 241278230 /nfs/dbraw/zinc/27/82/30/241278230.db2.gz HVNOCJVJODQDQN-UHFFFAOYSA-N 0 1 298.252 2.965 20 30 CFEDMN C=CCCCN(C)C(=O)Nc1cnn(-c2ccncc2)c1 ZINC000673864441 541519452 /nfs/dbraw/zinc/51/94/52/541519452.db2.gz SPIBCSNKBZGABE-UHFFFAOYSA-N 0 1 285.351 2.697 20 30 CFEDMN CO[C@@H]1C[C@@H](N(C)Cc2ccc(C#N)o2)C12CCC2 ZINC000449628013 242076891 /nfs/dbraw/zinc/07/68/91/242076891.db2.gz BKDBUCPVNHXXOQ-ZIAGYGMSSA-N 0 1 260.337 2.541 20 30 CFEDMN C[C@]12CN(Cc3nc(C#N)cs3)C[C@@H]1[C@@H]1CC[C@H]2C1 ZINC000449762469 242144706 /nfs/dbraw/zinc/14/47/06/242144706.db2.gz ILWRWZGJCFQBPR-NDPMZMCLSA-N 0 1 273.405 2.883 20 30 CFEDMN C=CCC(CC=C)C(=O)Nc1cnn(-c2ccncc2)c1 ZINC000675152538 541620198 /nfs/dbraw/zinc/62/01/98/541620198.db2.gz MCTSWBRUUVUVIY-UHFFFAOYSA-N 0 1 282.347 2.974 20 30 CFEDMN C=CCCN(C)CC(=O)Nc1ccc(Br)cc1 ZINC000276084070 193209681 /nfs/dbraw/zinc/20/96/81/193209681.db2.gz BDQYBSJFYVDGQL-UHFFFAOYSA-N 0 1 297.196 2.896 20 30 CFEDMN C=CCCN(C)CC(=O)Nc1ccc(C#N)c(Cl)c1 ZINC000276399056 193316716 /nfs/dbraw/zinc/31/67/16/193316716.db2.gz KHCSPSCDGGTNBG-UHFFFAOYSA-N 0 1 277.755 2.658 20 30 CFEDMN C=CCS(=O)(=O)CCN[C@@H](C)c1csc(Cl)c1 ZINC000276571084 193384978 /nfs/dbraw/zinc/38/49/78/193384978.db2.gz UBDHXJYOCZOGGR-VIFPVBQESA-N 0 1 293.841 2.653 20 30 CFEDMN CCC#C[C@H](C)Sc1nc(-c2ccccn2)n[nH]1 ZINC000677132602 541826016 /nfs/dbraw/zinc/82/60/16/541826016.db2.gz IGVQKPONFUILSM-JTQLQIEISA-N 0 1 258.350 2.761 20 30 CFEDMN C=C[C@@H]1OCCC[C@H]1NCc1cccc(F)c1C#N ZINC000451681697 383682320 /nfs/dbraw/zinc/68/23/20/383682320.db2.gz MYPBZYDDOVRCLP-CABCVRRESA-N 0 1 260.312 2.521 20 30 CFEDMN CCC#C[C@@H](C)N1CCCN(C(=O)c2cccc(C)c2)CC1 ZINC000677477775 541864780 /nfs/dbraw/zinc/86/47/80/541864780.db2.gz XCIIOTPXSDBUMF-QGZVFWFLSA-N 0 1 298.430 2.945 20 30 CFEDMN N#Cc1ccccc1CSc1nc(C2CC2)n[nH]1 ZINC000012992352 372008255 /nfs/dbraw/zinc/00/82/55/372008255.db2.gz HIMVSBCSZVYZBC-UHFFFAOYSA-N 0 1 256.334 2.846 20 30 CFEDMN N#Cc1ccccc1CSc1n[nH]c(C2CC2)n1 ZINC000012992352 372008259 /nfs/dbraw/zinc/00/82/59/372008259.db2.gz HIMVSBCSZVYZBC-UHFFFAOYSA-N 0 1 256.334 2.846 20 30 CFEDMN C=C[C@@H](CC(=O)N1CC[N@H+](CC)[C@H](C)C1)c1ccccc1 ZINC000677589253 541879583 /nfs/dbraw/zinc/87/95/83/541879583.db2.gz TUHRNDAGWOPXOT-CVEARBPZSA-N 0 1 286.419 2.899 20 30 CFEDMN C=C[C@@H](CC(=O)N1CCN(CC)[C@H](C)C1)c1ccccc1 ZINC000677589253 541879586 /nfs/dbraw/zinc/87/95/86/541879586.db2.gz TUHRNDAGWOPXOT-CVEARBPZSA-N 0 1 286.419 2.899 20 30 CFEDMN Cc1ccc(C(=O)C(C#N)c2nc3ccccc3[nH]2)o1 ZINC000046706242 373060969 /nfs/dbraw/zinc/06/09/69/373060969.db2.gz ZXSPVBZIRXMVCD-SNVBAGLBSA-N 0 1 265.272 2.954 20 30 CFEDMN CCN(CC(=O)N(C)C(C)C)[C@H](C)c1ccc(C#N)cc1 ZINC000054340592 284378843 /nfs/dbraw/zinc/37/88/43/284378843.db2.gz WDZZDIFWCZRLNE-CQSZACIVSA-N 0 1 287.407 2.808 20 30 CFEDMN C=C(C)CN(CC)C(=O)[C@H](C)N(C)CCc1ccccc1 ZINC000051999894 373428801 /nfs/dbraw/zinc/42/88/01/373428801.db2.gz NNRGRGAEKZKORI-INIZCTEOSA-N 0 1 288.435 2.974 20 30 CFEDMN C=CCN(CC=C)C(=O)[C@@H](C)N(C)CCc1ccccc1 ZINC000051999873 373429052 /nfs/dbraw/zinc/42/90/52/373429052.db2.gz FTVCVPZYHKPODJ-MRXNPFEDSA-N 0 1 286.419 2.750 20 30 CFEDMN CC[C@H](C)N1CCN(c2ccc(C#N)cc2F)CC1 ZINC000055079964 373538609 /nfs/dbraw/zinc/53/86/09/373538609.db2.gz SLTAVAWJALWLEF-LBPRGKRZSA-N 0 1 261.344 2.618 20 30 CFEDMN CC(C)CC(=O)NC1(C#N)CCN(Cc2ccccc2)CC1 ZINC000057629005 373605850 /nfs/dbraw/zinc/60/58/50/373605850.db2.gz MAEIMZHFKWQUBY-UHFFFAOYSA-N 0 1 299.418 2.707 20 30 CFEDMN CCN(CC)C(=O)CN(CC)[C@H](C)c1ccc(C#N)cc1 ZINC000060477594 373696925 /nfs/dbraw/zinc/69/69/25/373696925.db2.gz TWWSXLIBXDVUNH-CQSZACIVSA-N 0 1 287.407 2.810 20 30 CFEDMN COc1cc(CN[C@H](C)c2cccnc2)ccc1C#N ZINC000234950613 220228352 /nfs/dbraw/zinc/22/83/52/220228352.db2.gz QRLFUXHRBRISEQ-GFCCVEGCSA-N 0 1 267.332 2.813 20 30 CFEDMN CCN(CCC(=O)NCC1CCCCC1)C[C@@H](C)C#N ZINC000066872564 373961070 /nfs/dbraw/zinc/96/10/70/373961070.db2.gz YWCWFYNCYNCMTJ-AWEZNQCLSA-N 0 1 279.428 2.555 20 30 CFEDMN C=C(C)C[N@H+]1CCCN(C(=O)OC(C)(C)C)CC1 ZINC000067977924 374018130 /nfs/dbraw/zinc/01/81/30/374018130.db2.gz UELOAZPJXZVZLW-UHFFFAOYSA-N 0 1 254.374 2.505 20 30 CFEDMN C=C(C)CN1CCCN(C(=O)OC(C)(C)C)CC1 ZINC000067977924 374018144 /nfs/dbraw/zinc/01/81/44/374018144.db2.gz UELOAZPJXZVZLW-UHFFFAOYSA-N 0 1 254.374 2.505 20 30 CFEDMN CC[C@@H](C)N(C)CC(=O)Nc1ccccc1SCC#N ZINC000072601542 374268801 /nfs/dbraw/zinc/26/88/01/374268801.db2.gz ARWLQPYSFIQPSB-GFCCVEGCSA-N 0 1 291.420 2.971 20 30 CFEDMN N#C[C@@H](C(=O)c1cc(-c2ccccc2)[nH]n1)c1ccccn1 ZINC000073971125 374397990 /nfs/dbraw/zinc/39/79/90/374397990.db2.gz HGPYATABFRHPLQ-CYBMUJFWSA-N 0 1 288.310 2.962 20 30 CFEDMN N#CC(C(=O)c1cc(-c2ccccc2)[nH]n1)c1ccccn1 ZINC000073971125 374397997 /nfs/dbraw/zinc/39/79/97/374397997.db2.gz HGPYATABFRHPLQ-CYBMUJFWSA-N 0 1 288.310 2.962 20 30 CFEDMN N#C[C@H](C(=O)c1ccn(-c2ccccc2)n1)c1ccccn1 ZINC000073969766 374398237 /nfs/dbraw/zinc/39/82/37/374398237.db2.gz SOUCDYKNPUMFKC-AWEZNQCLSA-N 0 1 288.310 2.757 20 30 CFEDMN N#CC(C(=O)c1ccn(-c2ccccc2)n1)c1ccccn1 ZINC000073969766 374398241 /nfs/dbraw/zinc/39/82/41/374398241.db2.gz SOUCDYKNPUMFKC-AWEZNQCLSA-N 0 1 288.310 2.757 20 30 CFEDMN C=CCCCN(C)[C@H](C)C(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000076801883 374558849 /nfs/dbraw/zinc/55/88/49/374558849.db2.gz MRKRZDSAFRDYDL-GFCCVEGCSA-N 0 1 291.351 2.820 20 30 CFEDMN N#Cc1cccc(C=CC(=O)Nc2nc(C3CCC3)n[nH]2)c1 ZINC000492564916 246329690 /nfs/dbraw/zinc/32/96/90/246329690.db2.gz PEDPVXIASMLCFU-FPLPWBNLSA-N 0 1 293.330 2.596 20 30 CFEDMN N#Cc1cccc(C=CC(=O)Nc2n[nH]c(C3CCC3)n2)c1 ZINC000492564916 246329692 /nfs/dbraw/zinc/32/96/92/246329692.db2.gz PEDPVXIASMLCFU-FPLPWBNLSA-N 0 1 293.330 2.596 20 30 CFEDMN CCN(CC(=O)NC1(C#N)CCCCC1)Cc1ccccc1 ZINC000078797822 374571143 /nfs/dbraw/zinc/57/11/43/374571143.db2.gz CLNYEMGMHBJPQY-UHFFFAOYSA-N 0 1 299.418 2.851 20 30 CFEDMN CCOC[C@H]1CCN(Cc2ccc(C#N)cc2F)C1 ZINC000081521247 374703062 /nfs/dbraw/zinc/70/30/62/374703062.db2.gz RYVLGKGVJFGQRV-ZDUSSCGKSA-N 0 1 262.328 2.556 20 30 CFEDMN O[C@@H]1C[C@H]2C[C@@H](C1)N(CC#Cc1ccccc1Cl)C2 ZINC000640077687 383704064 /nfs/dbraw/zinc/70/40/64/383704064.db2.gz QFEKGYXRGPVHHH-VHDGCEQUSA-N 0 1 275.779 2.537 20 30 CFEDMN CC(C)n1cncc1CNCc1cccc(C#N)c1 ZINC000090208523 375004217 /nfs/dbraw/zinc/00/42/17/375004217.db2.gz SUACSBFZQHEDBM-UHFFFAOYSA-N 0 1 254.337 2.625 20 30 CFEDMN Cc1cc(F)cc(NS(=O)(=O)c2ccccc2C#N)c1 ZINC000091514459 375054235 /nfs/dbraw/zinc/05/42/35/375054235.db2.gz RCMNRBXCLBROMO-UHFFFAOYSA-N 0 1 290.319 2.807 20 30 CFEDMN C=CCOc1ccc(CN(CCO)Cc2cccnc2)cc1 ZINC000093085625 375184360 /nfs/dbraw/zinc/18/43/60/375184360.db2.gz XVWBBHHNZBHODL-UHFFFAOYSA-N 0 1 298.386 2.641 20 30 CFEDMN C#CCN(Cc1ccc(F)cc1)CC1=CCCOC1 ZINC000092541648 375121451 /nfs/dbraw/zinc/12/14/51/375121451.db2.gz DSFOIQREZUBLAZ-UHFFFAOYSA-N 0 1 259.324 2.608 20 30 CFEDMN C=CCOc1ccccc1C(=O)N(C)Cc1cn[nH]c1C ZINC000636064941 383707314 /nfs/dbraw/zinc/70/73/14/383707314.db2.gz KPEOYDXPQNLJFY-UHFFFAOYSA-N 0 1 285.347 2.555 20 30 CFEDMN CN(CCN(C)c1ccccc1)Cc1ccc(C#N)o1 ZINC000093273825 375201920 /nfs/dbraw/zinc/20/19/20/375201920.db2.gz RLOALDCTPOMMGY-UHFFFAOYSA-N 0 1 269.348 2.719 20 30 CFEDMN C=C(C)CN1CCCN(C(=O)c2cccc(F)c2)CC1 ZINC000097138139 375527905 /nfs/dbraw/zinc/52/79/05/375527905.db2.gz QEJPKFFMAIOZKJ-UHFFFAOYSA-N 0 1 276.355 2.550 20 30 CFEDMN CCCN1CCN([C@@H](C#N)c2cccc(Cl)c2)CC1 ZINC000107900111 375811007 /nfs/dbraw/zinc/81/10/07/375811007.db2.gz ITDBEWDCNKRWMS-HNNXBMFYSA-N 0 1 277.799 2.932 20 30 CFEDMN C=C(C)[C@H](CO)N[C@@H](CC)c1cc(F)ccc1F ZINC000678784270 542069645 /nfs/dbraw/zinc/06/96/45/542069645.db2.gz ZTEZHPZSDBNXQJ-KBPBESRZSA-N 0 1 255.308 2.943 20 30 CFEDMN COC[C@@H]1CCCN(Cc2cn3ccccc3c2C#N)C1 ZINC000112990286 375983611 /nfs/dbraw/zinc/98/36/11/375983611.db2.gz PLZZTSKNKPNUAO-CQSZACIVSA-N 0 1 283.375 2.669 20 30 CFEDMN C=CCN(CCCC(=O)OC)Cc1cccc([N+](=O)[O-])c1 ZINC000116379837 376183083 /nfs/dbraw/zinc/18/30/83/376183083.db2.gz OSXZEVHZPFXSRL-UHFFFAOYSA-N 0 1 292.335 2.536 20 30 CFEDMN C[C@@H](c1ccc(C#N)cc1)N1CCN(c2ccccn2)CC1 ZINC000118390470 376291045 /nfs/dbraw/zinc/29/10/45/376291045.db2.gz JVDWAFONWDWATL-HNNXBMFYSA-N 0 1 292.386 2.836 20 30 CFEDMN C[C@H](NCC(=O)Nc1ccc(F)cc1)c1ccc(C#N)cc1 ZINC000119326119 376394922 /nfs/dbraw/zinc/39/49/22/376394922.db2.gz QHZSSRBWLBWKEM-LBPRGKRZSA-N 0 1 297.333 2.987 20 30 CFEDMN C=C[C@H](C)ONC(=O)[C@H]1Cc2c1cccc2Cl ZINC000529513480 383714867 /nfs/dbraw/zinc/71/48/67/383714867.db2.gz RWXFMAAYVWINFQ-KWQFWETISA-N 0 1 251.713 2.602 20 30 CFEDMN COc1cc(C#N)ccc1CN1CCC(n2cccn2)CC1 ZINC000120916317 376721817 /nfs/dbraw/zinc/72/18/17/376721817.db2.gz CAKIDLVOJSTATC-UHFFFAOYSA-N 0 1 296.374 2.600 20 30 CFEDMN C=C[C@@H](C)ONC(=O)[C@@H]1Cc2c1cccc2Cl ZINC000529513484 383714940 /nfs/dbraw/zinc/71/49/40/383714940.db2.gz RWXFMAAYVWINFQ-LDYMZIIASA-N 0 1 251.713 2.602 20 30 CFEDMN N#CC(C(=O)c1ccn(C2CCCC2)n1)c1ccccn1 ZINC000121506191 376846281 /nfs/dbraw/zinc/84/62/81/376846281.db2.gz RFOOGSRWQYWHQH-ZDUSSCGKSA-N 0 1 280.331 2.883 20 30 CFEDMN C=CCN(Cc1cccs1)C(=O)[C@H](C)[N@@H+](C)CC=C ZINC000121622789 376871284 /nfs/dbraw/zinc/87/12/84/376871284.db2.gz XKYZZMFQQZZKEG-ZDUSSCGKSA-N 0 1 278.421 2.769 20 30 CFEDMN C=CCN(C)[C@@H](C)C(=O)N(CC=C)Cc1cccs1 ZINC000121622789 376871290 /nfs/dbraw/zinc/87/12/90/376871290.db2.gz XKYZZMFQQZZKEG-ZDUSSCGKSA-N 0 1 278.421 2.769 20 30 CFEDMN Cc1cccc(C(=O)C(C#N)c2nc3ccccc3n2C)n1 ZINC000122891159 376940125 /nfs/dbraw/zinc/94/01/25/376940125.db2.gz FWLKEXOTVHCMDQ-LBPRGKRZSA-N 0 1 290.326 2.767 20 30 CFEDMN C=C(C)CN(CC)[C@H](C)C(=O)N(C)c1ccccc1 ZINC000123922471 376997863 /nfs/dbraw/zinc/99/78/63/376997863.db2.gz RDXCRJGUSNCPEI-CQSZACIVSA-N 0 1 260.381 2.936 20 30 CFEDMN N#CCCN1CCC(c2ncc(C(F)(F)F)[nH]2)CC1 ZINC000125640504 377179929 /nfs/dbraw/zinc/17/99/29/377179929.db2.gz XLJMDNHFPPKQDF-UHFFFAOYSA-N 0 1 272.274 2.522 20 30 CFEDMN C[C@@H]1C[C@@H](NC2CC(C#N)(c3ccccc3)C2)C[N@@H+]1C1CC1 ZINC000127603759 377289764 /nfs/dbraw/zinc/28/97/64/377289764.db2.gz ACRYBZNZIUUPAX-ZVOPMHIBSA-N 0 1 295.430 2.825 20 30 CFEDMN C[C@H]1C[C@@H](NC2CC(C#N)(c3ccccc3)C2)C[N@@H+]1C1CC1 ZINC000127603975 377291087 /nfs/dbraw/zinc/29/10/87/377291087.db2.gz ACRYBZNZIUUPAX-CDRDHLPWSA-N 0 1 295.430 2.825 20 30 CFEDMN CCC#C[C@@H](C)N1CCC[C@@H](c2ccnc(C)n2)C1 ZINC000679312656 542162136 /nfs/dbraw/zinc/16/21/36/542162136.db2.gz ZZIDZDWSBVOHOP-UKRRQHHQSA-N 0 1 257.381 2.766 20 30 CFEDMN CCC#C[C@@H](C)N1CCC[C@H](c2ccnc(C)n2)C1 ZINC000679312655 542162488 /nfs/dbraw/zinc/16/24/88/542162488.db2.gz ZZIDZDWSBVOHOP-HIFRSBDPSA-N 0 1 257.381 2.766 20 30 CFEDMN CCN(Cc1cc(C#N)ccc1OC)C[C@@H]1CCCO1 ZINC000130422272 377554875 /nfs/dbraw/zinc/55/48/75/377554875.db2.gz QEAUWZVFDQFWLZ-HNNXBMFYSA-N 0 1 274.364 2.568 20 30 CFEDMN N#Cc1ccc(CN2CCCN(c3ccccc3)CC2)o1 ZINC000130763686 377609209 /nfs/dbraw/zinc/60/92/09/377609209.db2.gz NBFKMNDUOWAOIZ-UHFFFAOYSA-N 0 1 281.359 2.864 20 30 CFEDMN C=CCCN1CCN(C(=O)Nc2cccc(C)c2)CC1 ZINC000132751037 377872352 /nfs/dbraw/zinc/87/23/52/377872352.db2.gz ZJWLFHAPGAZSJU-UHFFFAOYSA-N 0 1 273.380 2.721 20 30 CFEDMN CCN(Cc1ccccc1C)[C@@H](C)C(=O)N(C)CCC#N ZINC000133994606 377973396 /nfs/dbraw/zinc/97/33/96/377973396.db2.gz IZWKXWHSVKHSOG-HNNXBMFYSA-N 0 1 287.407 2.578 20 30 CFEDMN N#Cc1ccc(CNCc2ccccc2-n2cccn2)o1 ZINC000135166503 378094415 /nfs/dbraw/zinc/09/44/15/378094415.db2.gz AQZMZYCWKYDHBS-UHFFFAOYSA-N 0 1 278.315 2.627 20 30 CFEDMN COc1ccc(CNCc2ccc(C#N)s2)c(OC)c1 ZINC000135681959 378156436 /nfs/dbraw/zinc/15/64/36/378156436.db2.gz IDSDDQPWNHPTCM-UHFFFAOYSA-N 0 1 288.372 2.927 20 30 CFEDMN C[C@H](C(=O)NC1CCCC1)[N@H+]1CCC[C@H](n2cccn2)C1 ZINC000328691886 378416456 /nfs/dbraw/zinc/41/64/56/378416456.db2.gz JAHNRWAZPVIWGB-HIFRSBDPSA-N 0 1 290.411 2.808 20 30 CFEDMN C[C@H](C(=O)NC1CCCC1)N1CCC[C@H](n2cccn2)C1 ZINC000328691886 378416463 /nfs/dbraw/zinc/41/64/63/378416463.db2.gz JAHNRWAZPVIWGB-HIFRSBDPSA-N 0 1 290.411 2.808 20 30 CFEDMN CC1CCN(CC(=O)Nc2cccc(-c3c[nH]nn3)c2)CC1 ZINC000329628460 378472108 /nfs/dbraw/zinc/47/21/08/378472108.db2.gz VVRJTUURWAZZPX-UHFFFAOYSA-N 0 1 299.378 2.792 20 30 CFEDMN CCc1nc([C@H](C)NC(=O)NC2CCCCCC2)n[nH]1 ZINC000328956813 378443819 /nfs/dbraw/zinc/44/38/19/378443819.db2.gz ZKAGGLGXHPXJEO-JTQLQIEISA-N 0 1 279.388 2.655 20 30 CFEDMN C[C@@H](Cn1cncn1)NC([O-])=[NH+]CC1(C)CCCCCC1 ZINC000329294056 378451698 /nfs/dbraw/zinc/45/16/98/378451698.db2.gz RVOMXYCXURZALE-ZDUSSCGKSA-N 0 1 293.415 2.531 20 30 CFEDMN C[C@@H]1c2ccccc2CCN1C(=O)NCCc1cnccn1 ZINC000329311681 378452739 /nfs/dbraw/zinc/45/27/39/378452739.db2.gz PTCVJBLUILGTRS-CYBMUJFWSA-N 0 1 296.374 2.552 20 30 CFEDMN C[C@H](NC(=O)Cc1[nH]nc2ccccc21)[C@H]1CCCOC1 ZINC000329397311 378459734 /nfs/dbraw/zinc/45/97/34/378459734.db2.gz WLKWHHUMNJHCJD-RYUDHWBXSA-N 0 1 287.363 2.877 20 30 CFEDMN CC(=O)NC1CCC(NC(=O)[C@@H]2CCCN2C2CC2)CC1 ZINC000329431444 378460989 /nfs/dbraw/zinc/46/09/89/378460989.db2.gz HQMZPLWZAMPRQH-PIMMBPRGSA-N 0 1 293.411 2.857 20 30 CFEDMN CC(C)[N@H+]1C[C@@H](C)[C@@H](NC(=O)c2ocnc2C2CC2)C1 ZINC000329611264 378469895 /nfs/dbraw/zinc/46/98/95/378469895.db2.gz CFGBDHONUCNYCN-PWSUYJOCSA-N 0 1 277.368 2.585 20 30 CFEDMN Cc1nc2cccc(C(=O)NC[C@@H]3CCCC3=O)c2[nH]1 ZINC000328725943 378417840 /nfs/dbraw/zinc/41/78/40/378417840.db2.gz ZJJBFCFMMVLMKQ-JTQLQIEISA-N 0 1 271.320 2.545 20 30 CFEDMN Cc1cc([C@@H]2CCCN(C(=O)NCC3(C)CC3)C2)n[nH]1 ZINC000328735627 378419850 /nfs/dbraw/zinc/41/98/50/378419850.db2.gz KSTZNJMRHXFQQD-GFCCVEGCSA-N 0 1 276.384 2.612 20 30 CFEDMN Cc1cc([C@@H]2CCCN(C(=O)N[C@H]3CC3(C)C)C2)n[nH]1 ZINC000328807734 378427685 /nfs/dbraw/zinc/42/76/85/378427685.db2.gz NRWWRPXASKIQAV-YPMHNXCESA-N 0 1 276.384 2.610 20 30 CFEDMN CC[C@@H]1C[C@@H](C(=O)NCC[N@@H+]2CC=C(C)CC2)CC(=O)N1 ZINC000329702359 378484586 /nfs/dbraw/zinc/48/45/86/378484586.db2.gz HUTFVWZOOYKJKF-ZIAGYGMSSA-N 0 1 293.411 2.740 20 30 CFEDMN CC[C@@H]1C[C@@H](C(=O)NCCN2CC=C(C)CC2)CC(=O)N1 ZINC000329702359 378484595 /nfs/dbraw/zinc/48/45/95/378484595.db2.gz HUTFVWZOOYKJKF-ZIAGYGMSSA-N 0 1 293.411 2.740 20 30 CFEDMN C[C@@H]1CCC[C@H](CNC(=O)N[C@@H]2CCc3nc[nH]c3C2)C1 ZINC000329737131 378489166 /nfs/dbraw/zinc/48/91/66/378489166.db2.gz SWFTYVDLVMQRJP-FRRDWIJNSA-N 0 1 290.411 2.597 20 30 CFEDMN CC[C@@H]1CCCC[C@@H]1NC([O-])=[NH+][C@H]1CCc2c[nH]nc2C1 ZINC000329839753 378502704 /nfs/dbraw/zinc/50/27/04/378502704.db2.gz NWSSGTWXESOMDZ-XBFCOCLRSA-N 0 1 290.411 2.739 20 30 CFEDMN CC[C@@H]1CCCC[C@@H]1[NH+]=C([O-])N[C@H]1CCc2c[nH]nc2C1 ZINC000329839753 378502710 /nfs/dbraw/zinc/50/27/10/378502710.db2.gz NWSSGTWXESOMDZ-XBFCOCLRSA-N 0 1 290.411 2.739 20 30 CFEDMN CC[C@@H]1CCCN(C([O-])=[NH+][C@@H]2CCc3c[nH]nc3C2)CC1 ZINC000329833294 378503619 /nfs/dbraw/zinc/50/36/19/378503619.db2.gz GKHCXYVDYPUFKU-TZMCWYRMSA-N 0 1 290.411 2.693 20 30 CFEDMN CC(C)n1cc(C(=O)N[C@H]2CC[N@H+](C3CCCC3)C2)cn1 ZINC000329901861 378511781 /nfs/dbraw/zinc/51/17/81/378511781.db2.gz OYBLGXHAUNMMOD-AWEZNQCLSA-N 0 1 290.411 2.786 20 30 CFEDMN O=C(Nc1cccc(-c2nnc[nH]2)c1)C1CCC(=O)CC1 ZINC000329910074 378512844 /nfs/dbraw/zinc/51/28/44/378512844.db2.gz VMKLARCSGLQQKR-UHFFFAOYSA-N 0 1 284.319 2.819 20 30 CFEDMN Cc1cnccc1CN1CCC(C#N)(c2ccccn2)CC1 ZINC000574718945 335042379 /nfs/dbraw/zinc/04/23/79/335042379.db2.gz MWUORUPTDHJXDN-UHFFFAOYSA-N 0 1 292.386 2.842 20 30 CFEDMN N#Cc1ccc(F)c(CN2CCCC[C@H]2CC(N)=O)c1 ZINC000330463736 378562373 /nfs/dbraw/zinc/56/23/73/378562373.db2.gz UGTYMJAUAYKSFQ-ZDUSSCGKSA-N 0 1 275.327 2.977 20 30 CFEDMN Cc1coc(C)c1C(=O)NC[C@@H]1CN(CC(C)C)CCO1 ZINC000330477321 378566399 /nfs/dbraw/zinc/56/63/99/378566399.db2.gz WDLNMGFJHPCVOP-CQSZACIVSA-N 0 1 294.395 2.558 20 30 CFEDMN CCC[C@@H](NC(=O)c1cnn[nH]1)C1CCCCC1 ZINC000330512246 378574847 /nfs/dbraw/zinc/57/48/47/378574847.db2.gz FVURDMJLVPIFMJ-LLVKDONJSA-N 0 1 250.346 2.858 20 30 CFEDMN C=CCCCN(C)Cc1nc2oc(C)c(C)c2c(N)n1 ZINC000153977477 378529279 /nfs/dbraw/zinc/52/92/79/378529279.db2.gz ITZHNMBXXLXPGL-UHFFFAOYSA-N 0 1 274.368 2.820 20 30 CFEDMN O=C(NCC1(O)CCCCCC1)[C@H]1CCCN1C1CC1 ZINC000330222864 378529391 /nfs/dbraw/zinc/52/93/91/378529391.db2.gz MVHIPMNVZJWQDZ-CQSZACIVSA-N 0 1 280.412 2.655 20 30 CFEDMN Cc1n[nH]c(C(C)C)c1C(=O)N[C@@H](C)c1ccon1 ZINC000330639943 378593385 /nfs/dbraw/zinc/59/33/85/378593385.db2.gz CIKQIAVSWNMSHQ-QMMMGPOBSA-N 0 1 262.313 2.895 20 30 CFEDMN CO[C@@H]1CC[C@@H]([NH+]=C([O-])Nc2ccc(N(C)C)cc2C)C1 ZINC000331014118 378614671 /nfs/dbraw/zinc/61/46/71/378614671.db2.gz TZNWCKUTANHZCO-TZMCWYRMSA-N 0 1 291.395 2.954 20 30 CFEDMN C[C@@H]1CCN([C@@H](C(N)=O)c2ccc(C#N)cc2)[C@H]1C ZINC000331145977 378640585 /nfs/dbraw/zinc/64/05/85/378640585.db2.gz ZBOJGTDOQMOXTM-UHIISALHSA-N 0 1 257.337 2.865 20 30 CFEDMN C=C(C)CN(CC)Cc1cnc2nc(C)cc(C)n12 ZINC000159000760 378679916 /nfs/dbraw/zinc/67/99/16/378679916.db2.gz ABRJADMUOCYMAN-UHFFFAOYSA-N 0 1 258.369 2.744 20 30 CFEDMN CC1(C)CCN(C[C@@H](C#N)CCC#N)CCS1 ZINC000331994448 378717840 /nfs/dbraw/zinc/71/78/40/378717840.db2.gz NYKLISKBEMYQJM-GFCCVEGCSA-N 0 1 251.399 2.647 20 30 CFEDMN C[C@@H]1C[C@H](C(C)(C)C)CCN1CC(=O)NC1(C#N)CCC1 ZINC000332487123 378769698 /nfs/dbraw/zinc/76/96/98/378769698.db2.gz QVRGOAPPUXNVCB-ZIAGYGMSSA-N 0 1 291.439 2.695 20 30 CFEDMN C=CCN(C)C(=O)NC[C@@H](c1ccco1)N1CCCCC1 ZINC000161142255 378826587 /nfs/dbraw/zinc/82/65/87/378826587.db2.gz FMHDQAYZFLATKE-AWEZNQCLSA-N 0 1 291.395 2.634 20 30 CFEDMN C=CCOc1ccc(C(=O)N[C@@H](C)Cc2cc(C)[nH]n2)cc1 ZINC000161375407 378843341 /nfs/dbraw/zinc/84/33/41/378843341.db2.gz CBNQILFTFVTEQJ-LBPRGKRZSA-N 0 1 299.374 2.644 20 30 CFEDMN COC1CCN(Cc2ccc(C#N)cc2Cl)CC1 ZINC000162865983 378939503 /nfs/dbraw/zinc/93/95/03/378939503.db2.gz QEEQEZZHRROXTR-UHFFFAOYSA-N 0 1 264.756 2.822 20 30 CFEDMN N#CC(C(=O)c1csc([C@@H]2CCCO2)n1)c1ccccn1 ZINC000165463499 379040186 /nfs/dbraw/zinc/04/01/86/379040186.db2.gz YXTMCGWDOUXLBY-GWCFXTLKSA-N 0 1 299.355 2.880 20 30 CFEDMN N#C[C@H](C(=O)c1csc([C@@H]2CCCO2)n1)c1ccccn1 ZINC000165463499 379040187 /nfs/dbraw/zinc/04/01/87/379040187.db2.gz YXTMCGWDOUXLBY-GWCFXTLKSA-N 0 1 299.355 2.880 20 30 CFEDMN N#Cc1ccc(C(=O)N2CCc3cc(F)ccc32)cc1O ZINC000334385676 379204996 /nfs/dbraw/zinc/20/49/96/379204996.db2.gz NKKHZEVYFRUJPI-UHFFFAOYSA-N 0 1 282.274 2.606 20 30 CFEDMN Cn1cc(CN2CC3(CC3)C2)c(-c2ccc(C#N)cc2)n1 ZINC000335382904 379195774 /nfs/dbraw/zinc/19/57/74/379195774.db2.gz KIZPMHDQEUCHLV-UHFFFAOYSA-N 0 1 278.359 2.555 20 30 CFEDMN CCn1cc([C@H](C)NCc2ccc(F)c(C#N)c2)cn1 ZINC000451897515 383734981 /nfs/dbraw/zinc/73/49/81/383734981.db2.gz UJMNHOFGXOQOJG-NSHDSACASA-N 0 1 272.327 2.765 20 30 CFEDMN N#C[C@H]1CN(CC2CCCC2)C[C@]12c1ccccc1NC2=O ZINC000334426790 379278688 /nfs/dbraw/zinc/27/86/88/379278688.db2.gz ZHRDKJVVTURLHN-KBXCAEBGSA-N 0 1 295.386 2.522 20 30 CFEDMN N#CCc1ccccc1NS(=O)(=O)c1ccsc1 ZINC000334443905 379311556 /nfs/dbraw/zinc/31/15/56/379311556.db2.gz MSESMXAAPHNUHL-UHFFFAOYSA-N 0 1 278.358 2.615 20 30 CFEDMN Cc1[nH]ncc1C(=O)N(CCC#N)c1ccc(C)cc1 ZINC000171801614 379406567 /nfs/dbraw/zinc/40/65/67/379406567.db2.gz VPBPSZJDQQHMQR-UHFFFAOYSA-N 0 1 268.320 2.587 20 30 CFEDMN C[C@@H]1CC[N@@H+](CCC2(C#N)CCCCC2)C[C@H]1O ZINC000334560699 379529916 /nfs/dbraw/zinc/52/99/16/379529916.db2.gz FNHKEPWSTJRVMT-ZIAGYGMSSA-N 0 1 250.386 2.553 20 30 CFEDMN N#Cc1ccc2ncc(CNCc3cc(F)cc(F)c3)n2c1 ZINC000172338490 379546685 /nfs/dbraw/zinc/54/66/85/379546685.db2.gz DOWOREHBVTYOQX-UHFFFAOYSA-N 0 1 298.296 2.774 20 30 CFEDMN N#Cc1ccc(F)c(CN2CC[C@H](O)CC23CCC3)c1 ZINC000335607426 379595820 /nfs/dbraw/zinc/59/58/20/379595820.db2.gz DGASCYLBGMLFCD-AWEZNQCLSA-N 0 1 274.339 2.577 20 30 CFEDMN C[C@H]1CC[C@H]([N@@H+](C)Cc2cnc3ccc(C#N)cn23)C1 ZINC000335715749 379773124 /nfs/dbraw/zinc/77/31/24/379773124.db2.gz SBKPJUTTXNEBNQ-JSGCOSHPSA-N 0 1 268.364 2.826 20 30 CFEDMN Cc1ccc([C@H](CNCc2ccc(C#N)o2)N2CCCC2)o1 ZINC000174332631 379864890 /nfs/dbraw/zinc/86/48/90/379864890.db2.gz JQLXLYJNIXQJKE-INIZCTEOSA-N 0 1 299.374 2.979 20 30 CFEDMN N#Cc1cccc(NC(=O)N2CCC(c3cnc[nH]3)CC2)c1 ZINC000335815299 379933753 /nfs/dbraw/zinc/93/37/53/379933753.db2.gz CSOGYBSBQICHOV-UHFFFAOYSA-N 0 1 295.346 2.693 20 30 CFEDMN C[C@H]1CN2CCCC[C@@H]2CN1C(=O)Nc1cccc(C#N)c1 ZINC000335847011 379986429 /nfs/dbraw/zinc/98/64/29/379986429.db2.gz CRFKWPYZWBURLY-XJKSGUPXSA-N 0 1 298.390 2.649 20 30 CFEDMN Cc1cc(C#N)ccc1C(=O)N1CCC(c2cnc[nH]2)CC1 ZINC000335848561 379989293 /nfs/dbraw/zinc/98/92/93/379989293.db2.gz OSEORTXHJKEZJM-UHFFFAOYSA-N 0 1 294.358 2.610 20 30 CFEDMN C=CCCCC(=O)NC1CCN(Cc2ccccn2)CC1 ZINC000175348230 380048476 /nfs/dbraw/zinc/04/84/76/380048476.db2.gz NCRAPVHCKPTINH-UHFFFAOYSA-N 0 1 287.407 2.519 20 30 CFEDMN N#Cc1csc(CNCc2ccc(CO)c(F)c2)c1 ZINC000177689586 380367753 /nfs/dbraw/zinc/36/77/53/380367753.db2.gz RROGIMFYCOYCLG-UHFFFAOYSA-N 0 1 276.336 2.541 20 30 CFEDMN N#Cc1ccc(CN2CCC[C@]3(CCCOC3)C2)o1 ZINC000336511401 380388155 /nfs/dbraw/zinc/38/81/55/380388155.db2.gz QPBIPEUCKWWYAS-HNNXBMFYSA-N 0 1 260.337 2.544 20 30 CFEDMN N#Cc1c(F)cccc1CN1CCC[C@H]([C@H]2CCOC2)C1 ZINC000336541137 380438892 /nfs/dbraw/zinc/43/88/92/380438892.db2.gz SKPXIVQUUKZMBJ-ZFWWWQNUSA-N 0 1 288.366 2.946 20 30 CFEDMN COC(=O)[C@@]1(C)CCN(CC#Cc2cccc(Cl)c2)C1 ZINC000178487299 380456236 /nfs/dbraw/zinc/45/62/36/380456236.db2.gz HSXIZXNVUUOQGM-INIZCTEOSA-N 0 1 291.778 2.577 20 30 CFEDMN C=CCNC(=O)CN[C@H](C)c1ccccc1SCC ZINC000180027959 380611310 /nfs/dbraw/zinc/61/13/10/380611310.db2.gz GFSZEACFTLWSEP-GFCCVEGCSA-N 0 1 278.421 2.751 20 30 CFEDMN N#Cc1ccc(CN2CCC[C@]23CCOC3)c(Cl)c1 ZINC000336815655 380676654 /nfs/dbraw/zinc/67/66/54/380676654.db2.gz ILYOMMQXTYLPMR-OAHLLOKOSA-N 0 1 276.767 2.967 20 30 CFEDMN C#CCCCCC(=O)Nc1ccc(-c2nnc[nH]2)cc1F ZINC000279165680 194313602 /nfs/dbraw/zinc/31/36/02/194313602.db2.gz IQUKZJXROQTACG-UHFFFAOYSA-N 0 1 286.310 2.743 20 30 CFEDMN C=CCCC[C@@H](C)NC(=O)N1CCN(CC(C)C)CC1 ZINC000181107833 380741681 /nfs/dbraw/zinc/74/16/81/380741681.db2.gz OPYZDBZLHOFHKW-OAHLLOKOSA-N 0 1 281.444 2.714 20 30 CFEDMN N#Cc1ccc(OCCN(Cc2ccccn2)C2CC2)cc1 ZINC000181393199 380785588 /nfs/dbraw/zinc/78/55/88/380785588.db2.gz GWOFHTDISRCHTB-UHFFFAOYSA-N 0 1 293.370 2.997 20 30 CFEDMN C=CCOc1ccc(CN[C@H](C)CF)cc1OC ZINC000288535619 197106616 /nfs/dbraw/zinc/10/66/16/197106616.db2.gz WFTPQLYYUIJIJI-LLVKDONJSA-N 0 1 253.317 2.708 20 30 CFEDMN CN1Cc2ccccc2[C@@H](Nc2cc(C#N)ccn2)C1 ZINC000367827430 380840765 /nfs/dbraw/zinc/84/07/65/380840765.db2.gz VVYZQXIVTHQHBG-HNNXBMFYSA-N 0 1 264.332 2.552 20 30 CFEDMN COc1cc(C#N)ccc1CN[C@H](C)c1cccnc1 ZINC000181662485 380859289 /nfs/dbraw/zinc/85/92/89/380859289.db2.gz FHFNROOEHLJQNV-GFCCVEGCSA-N 0 1 267.332 2.813 20 30 CFEDMN CCn1cc([C@@H](C)NCc2ccc(C#N)c(F)c2)cn1 ZINC000404692204 380906364 /nfs/dbraw/zinc/90/63/64/380906364.db2.gz SUNUUOOHADDBFA-LLVKDONJSA-N 0 1 272.327 2.765 20 30 CFEDMN CC(C)c1nc([C@@H]2CCCCN2CC2(C#N)CC2)n[nH]1 ZINC000408209504 380917384 /nfs/dbraw/zinc/91/73/84/380917384.db2.gz COUTWOLNPSCTPL-LBPRGKRZSA-N 0 1 273.384 2.759 20 30 CFEDMN COc1ccccc1[C@@H](CNc1cc(C#N)ccn1)N(C)C ZINC000341343736 380950946 /nfs/dbraw/zinc/95/09/46/380950946.db2.gz IIVDJVQPDLGNAJ-OAHLLOKOSA-N 0 1 296.374 2.677 20 30 CFEDMN C=C(CC)CN1CCN(c2cc(C)nc(C(C)C)n2)CC1 ZINC000358626197 380976700 /nfs/dbraw/zinc/97/67/00/380976700.db2.gz QDJVKOOUCGZBCO-UHFFFAOYSA-N 0 1 288.439 2.997 20 30 CFEDMN C=CCN(CCc1ccccc1)[C@H]1CCN(C(C)C)C1=O ZINC000411201402 381016528 /nfs/dbraw/zinc/01/65/28/381016528.db2.gz RUMRDIUQQVZKCW-KRWDZBQOSA-N 0 1 286.419 2.726 20 30 CFEDMN CCC[C@H](N[C@H](C)CCC#N)c1nnc2ccccn21 ZINC000411516329 381031711 /nfs/dbraw/zinc/03/17/11/381031711.db2.gz XQNGXYTYXKXFCK-OLZOCXBDSA-N 0 1 271.368 2.852 20 30 CFEDMN COc1ccc2c(c1OC)CCN([C@H](C)CCC#N)C2 ZINC000411423605 381025415 /nfs/dbraw/zinc/02/54/15/381025415.db2.gz MQTSYKITDOEEHC-GFCCVEGCSA-N 0 1 274.364 2.754 20 30 CFEDMN C#CC(C)(C)N(C)Cc1cccc(C(=O)NCC(C)C)c1 ZINC000279295157 194371977 /nfs/dbraw/zinc/37/19/77/194371977.db2.gz PTNFHFTXEOBHNZ-UHFFFAOYSA-N 0 1 286.419 2.916 20 30 CFEDMN C=CCCCCCCNC(=O)NCC1=CC[N@@H+](C)CC1 ZINC000288008808 380991485 /nfs/dbraw/zinc/99/14/85/380991485.db2.gz LWEAELRIROKTBH-UHFFFAOYSA-N 0 1 279.428 2.684 20 30 CFEDMN CCC[C@H](C#N)N(C)C(=O)[C@H](C)N(C)Cc1ccccc1 ZINC000410829606 380992657 /nfs/dbraw/zinc/99/26/57/380992657.db2.gz RHZBCOPQYPWHEA-GOEBONIOSA-N 0 1 287.407 2.658 20 30 CFEDMN C[C@@H]1C[C@H](Nc2nc(Cl)c(C#N)s2)CN1C1CC1 ZINC000288056859 381001506 /nfs/dbraw/zinc/00/15/06/381001506.db2.gz YAXSCEGJUAQNII-SFYZADRCSA-N 0 1 282.800 2.705 20 30 CFEDMN N#Cc1cccc(CN[C@@H](c2nnc[nH]2)c2ccccc2)c1 ZINC000368624551 381087997 /nfs/dbraw/zinc/08/79/97/381087997.db2.gz VWJHYHFXJBNVTN-MRXNPFEDSA-N 0 1 289.342 2.556 20 30 CFEDMN COC1([C@@H](C)NCc2ccc(F)cc2C#N)CCC1 ZINC000412020642 381093020 /nfs/dbraw/zinc/09/30/20/381093020.db2.gz JOFVIPFAQFCKPA-LLVKDONJSA-N 0 1 262.328 2.745 20 30 CFEDMN C[C@@H]1CC(C)(C)CN1CC(=O)Nc1ccc(C#N)cc1 ZINC000412032402 381108172 /nfs/dbraw/zinc/10/81/72/381108172.db2.gz BRXDKRHCAWUGKD-GFCCVEGCSA-N 0 1 271.364 2.617 20 30 CFEDMN C=C[C@@H](CO)N[C@H](C)c1cc(Cl)ccc1OCC ZINC000289729104 381124899 /nfs/dbraw/zinc/12/48/99/381124899.db2.gz JZRGXQPMRLLEKM-PWSUYJOCSA-N 0 1 269.772 2.936 20 30 CFEDMN CCOC(=O)C[C@@H](C)N(C)Cc1cn2ccccc2c1C#N ZINC000182672163 381136380 /nfs/dbraw/zinc/13/63/80/381136380.db2.gz XPVHGSCLADXRFP-CYBMUJFWSA-N 0 1 299.374 2.584 20 30 CFEDMN C=C[C@H](CO)N[C@H](C)c1ccc(Br)s1 ZINC000289815098 381171716 /nfs/dbraw/zinc/17/17/16/381171716.db2.gz LVKPCZUYDYRVSU-HTQZYQBOSA-N 0 1 276.199 2.708 20 30 CFEDMN C[C@H]1[C@@H](O)CCCN1CC#Cc1ccc(Cl)cc1 ZINC000296198100 381296189 /nfs/dbraw/zinc/29/61/89/381296189.db2.gz LZJIWOAQWKRMNO-WFASDCNBSA-N 0 1 263.768 2.537 20 30 CFEDMN N#Cc1ccc(CNCc2cccc3cc[nH]c32)o1 ZINC000342335363 381283918 /nfs/dbraw/zinc/28/39/18/381283918.db2.gz VHOZPHPFGOKDCP-UHFFFAOYSA-N 0 1 251.289 2.922 20 30 CFEDMN C[C@H](CC(=O)Nc1cccc(Cl)c1)NC[C@H](C)C#N ZINC000183827356 381326685 /nfs/dbraw/zinc/32/66/85/381326685.db2.gz CHDSILQYPIQEIZ-GHMZBOCLSA-N 0 1 279.771 2.806 20 30 CFEDMN N#Cc1ccc(NC(=O)N[C@@H]2CCCc3cn[nH]c32)cc1F ZINC000290200158 381338902 /nfs/dbraw/zinc/33/89/02/381338902.db2.gz PAGPCVSSIUMHFK-CYBMUJFWSA-N 0 1 299.309 2.620 20 30 CFEDMN N#Cc1ccc(CCC(=O)Nc2nc(C3CCC3)n[nH]2)cc1 ZINC000184557746 381432294 /nfs/dbraw/zinc/43/22/94/381432294.db2.gz QKHUBFRIHISPOZ-UHFFFAOYSA-N 0 1 295.346 2.515 20 30 CFEDMN N#Cc1ccc(CCC(=O)Nc2n[nH]c(C3CCC3)n2)cc1 ZINC000184557746 381432301 /nfs/dbraw/zinc/43/23/01/381432301.db2.gz QKHUBFRIHISPOZ-UHFFFAOYSA-N 0 1 295.346 2.515 20 30 CFEDMN C#CCOc1ccc(CN[C@H](C)c2cnc(C)nc2C)cc1 ZINC000296491129 381418631 /nfs/dbraw/zinc/41/86/31/381418631.db2.gz OQPKVPHZEFWJQN-CYBMUJFWSA-N 0 1 295.386 2.956 20 30 CFEDMN COCC1(C#N)CCN(Cc2cc(C)c(O)c(C)c2)CC1 ZINC000348286291 381478360 /nfs/dbraw/zinc/47/83/60/381478360.db2.gz YNFUSSRZOYEIFT-UHFFFAOYSA-N 0 1 288.391 2.761 20 30 CFEDMN C#CCOc1ccc([C@H](C)NCc2n[nH]c(C(C)C)n2)cc1 ZINC000296642359 381485299 /nfs/dbraw/zinc/48/52/99/381485299.db2.gz YCSRUKOFZDSFGW-ZDUSSCGKSA-N 0 1 298.390 2.791 20 30 CFEDMN C=CCCN(C)[C@H](C)C(=O)Nc1ccccc1OC ZINC000342735225 381507135 /nfs/dbraw/zinc/50/71/35/381507135.db2.gz OZQRJUCMWXKZJH-GFCCVEGCSA-N 0 1 262.353 2.530 20 30 CFEDMN C[C@@H](c1ccc(C#N)cc1)N1CC[C@H](NC(=O)C2CCC2)C1 ZINC000370906609 381511277 /nfs/dbraw/zinc/51/12/77/381511277.db2.gz WSBFYWWJSVYGKQ-GUYCJALGSA-N 0 1 297.402 2.610 20 30 CFEDMN CC#CCCCC(=O)NC[C@H](c1ccco1)N1CCCC1 ZINC000184906199 381495195 /nfs/dbraw/zinc/49/51/95/381495195.db2.gz SVEKWOGCRGKHPW-OAHLLOKOSA-N 0 1 288.391 2.726 20 30 CFEDMN Cc1ccc2nc(CNc3cc(C#N)ccn3)[nH]c2c1 ZINC000342794735 381545112 /nfs/dbraw/zinc/54/51/12/381545112.db2.gz ZEMDUNBGHZBCPG-UHFFFAOYSA-N 0 1 263.304 2.750 20 30 CFEDMN C=CCOc1ccccc1CN1CCCc2c(cnn2C)C1 ZINC000414476638 381587437 /nfs/dbraw/zinc/58/74/37/381587437.db2.gz XWNHPNFXPCYLKL-UHFFFAOYSA-N 0 1 297.402 2.933 20 30 CFEDMN C#CCSCCNCc1ccnc(Cl)c1Cl ZINC000290892200 381587644 /nfs/dbraw/zinc/58/76/44/381587644.db2.gz NCQWGYLXTSISBQ-UHFFFAOYSA-N 0 1 275.204 2.844 20 30 CFEDMN N#Cc1ccc(SCCN2C[C@H]3CC[C@@H](C2)O3)c(F)c1 ZINC000359745838 381591744 /nfs/dbraw/zinc/59/17/44/381591744.db2.gz KRWXBJCUWSWHIZ-BETUJISGSA-N 0 1 292.379 2.653 20 30 CFEDMN C(#Cc1ccccc1)CN1CCC(c2ccncn2)CC1 ZINC000298404415 381610677 /nfs/dbraw/zinc/61/06/77/381610677.db2.gz OTLJCTGSDJAKHY-UHFFFAOYSA-N 0 1 277.371 2.708 20 30 CFEDMN Cc1cnn(C2CCN(Cc3ccc(C#N)s3)CC2)c1 ZINC000371402865 381616370 /nfs/dbraw/zinc/61/63/70/381616370.db2.gz DLSFQNYCPYPUKX-UHFFFAOYSA-N 0 1 286.404 2.962 20 30 CFEDMN C=CCCCC(=O)Nc1ccccc1-c1nnc[nH]1 ZINC000371431379 381625661 /nfs/dbraw/zinc/62/56/61/381625661.db2.gz NSOBTQIHXXGRJS-UHFFFAOYSA-N 0 1 256.309 2.767 20 30 CFEDMN C[C@H](C#N)CN(CCCN(C[C@H](C)C#N)C1CC1)C1CC1 ZINC000343296171 381674078 /nfs/dbraw/zinc/67/40/78/381674078.db2.gz DLCKPNVTMOGHMS-HUUCEWRRSA-N 0 1 288.439 2.625 20 30 CFEDMN CC(C)(C)OC(=O)N[C@@H]1CCC[C@H]2CN(CCC#N)C[C@@H]21 ZINC000359993942 381717849 /nfs/dbraw/zinc/71/78/49/381717849.db2.gz AIVOVFRHXOQISW-MELADBBJSA-N 0 1 293.411 2.525 20 30 CFEDMN N#Cc1cccc(C(=O)Nc2cccc(-c3nnc[nH]3)c2)c1 ZINC000371678858 381676728 /nfs/dbraw/zinc/67/67/28/381676728.db2.gz GQWMXOQTGPWWSY-UHFFFAOYSA-N 0 1 289.298 2.596 20 30 CFEDMN N#Cc1csc(CN2CC[C@H](COC(F)F)C2)c1 ZINC000348870093 381748600 /nfs/dbraw/zinc/74/86/00/381748600.db2.gz RYUNVALWGVHZSN-VIFPVBQESA-N 0 1 272.320 2.681 20 30 CFEDMN N#CCCCC(=O)Nc1nc(-c2ccccc2Cl)n[nH]1 ZINC000360004844 381722887 /nfs/dbraw/zinc/72/28/87/381722887.db2.gz HDJPBJUCWPVDRP-UHFFFAOYSA-N 0 1 289.726 2.757 20 30 CFEDMN C=CCCC[C@@H](C)NC(=O)c1cn[nH]c1-c1ccccn1 ZINC000355682226 381794812 /nfs/dbraw/zinc/79/48/12/381794812.db2.gz WOOIRHGJWPUJJK-GFCCVEGCSA-N 0 1 284.363 2.946 20 30 CFEDMN COC(=O)c1ccc(CNCc2ccc(C#N)s2)cc1 ZINC000349037067 381798583 /nfs/dbraw/zinc/79/85/83/381798583.db2.gz QXPRWCWKYYDMRQ-UHFFFAOYSA-N 0 1 286.356 2.696 20 30 CFEDMN Cc1nc(N[C@@H]2CCCN(C)[C@H]2C)c(Cl)cc1C#N ZINC000360081131 381762190 /nfs/dbraw/zinc/76/21/90/381762190.db2.gz CUHQPJTXYMCVNJ-GXFFZTMASA-N 0 1 278.787 2.810 20 30 CFEDMN C=CCNC(=O)CN[C@@H](C)c1cc2cccc(F)c2o1 ZINC000355728615 381799620 /nfs/dbraw/zinc/79/96/20/381799620.db2.gz CTFCPKYTWHRVFL-JTQLQIEISA-N 0 1 276.311 2.525 20 30 CFEDMN C=CCC(C)(C)CNC(=O)N[C@@H]1CCCc2cn[nH]c21 ZINC000292800406 381840699 /nfs/dbraw/zinc/84/06/99/381840699.db2.gz NHWLIQSISXIMQP-GFCCVEGCSA-N 0 1 276.384 2.689 20 30 CFEDMN N#CC1(CN2CCC(Cc3cccnc3)CC2)CC1 ZINC000343581554 381813070 /nfs/dbraw/zinc/81/30/70/381813070.db2.gz ILXVFAZFKJQUDI-UHFFFAOYSA-N 0 1 255.365 2.640 20 30 CFEDMN C=CCOCCCN1C[C@H](O)C[C@@H]1c1ccc(F)c(F)c1 ZINC000343680715 381885117 /nfs/dbraw/zinc/88/51/17/381885117.db2.gz GIEICEGHIPUGKR-CZUORRHYSA-N 0 1 297.345 2.665 20 30 CFEDMN C#CCN1CCC(C(=O)N2CCC[C@H]2c2ccccc2)CC1 ZINC000299159806 381848176 /nfs/dbraw/zinc/84/81/76/381848176.db2.gz QMIKYJADRIKWHA-SFHVURJKSA-N 0 1 296.414 2.695 20 30 CFEDMN C#CCCN(Cc1nc2ccccc2c(=O)[nH]1)[C@H](C)CC ZINC000299251874 381873143 /nfs/dbraw/zinc/87/31/43/381873143.db2.gz YYXDADATFZEHBH-CYBMUJFWSA-N 0 1 283.375 2.959 20 30 CFEDMN Cc1cccc(NC[C@H]2CCCN2Cc2ccc(C#N)o2)n1 ZINC000362086705 381903137 /nfs/dbraw/zinc/90/31/37/381903137.db2.gz MWQQLUPDICABFD-CQSZACIVSA-N 0 1 296.374 2.931 20 30 CFEDMN CC#CCCN1CCC(O)(c2c(F)cccc2F)CC1 ZINC000186502035 381930223 /nfs/dbraw/zinc/93/02/23/381930223.db2.gz FLFFSSYLIKYFGI-UHFFFAOYSA-N 0 1 279.330 2.662 20 30 CFEDMN N#Cc1ccc(CN2CC[C@]3(C2)OCc2ccccc23)o1 ZINC000186449327 381914933 /nfs/dbraw/zinc/91/49/33/381914933.db2.gz LEWZQVFQQPASPR-QGZVFWFLSA-N 0 1 280.327 2.783 20 30 CFEDMN CN(CC1(C#N)CC1)C1CCN(c2ccccc2)CC1 ZINC000343747769 381921221 /nfs/dbraw/zinc/92/12/21/381921221.db2.gz UANALTICMSXWCV-UHFFFAOYSA-N 0 1 269.392 2.891 20 30 CFEDMN C=CCN(Cc1ccc(OC)c(OC)c1OC)C1CC1 ZINC000299405829 381928131 /nfs/dbraw/zinc/92/81/31/381928131.db2.gz XOTVRKCWOSIJFS-UHFFFAOYSA-N 0 1 277.364 2.863 20 30 CFEDMN C=CCC(C)(C)CNC(=O)N[C@@H](C)Cc1cc(C)[nH]n1 ZINC000293058131 381971239 /nfs/dbraw/zinc/97/12/39/381971239.db2.gz MWDAVIKHFOYCAY-NSHDSACASA-N 0 1 278.400 2.551 20 30 CFEDMN CCc1noc(C)c1CNCc1ccc(C#N)cc1 ZINC000293007707 381946147 /nfs/dbraw/zinc/94/61/47/381946147.db2.gz PMMPREHXHDNFIY-UHFFFAOYSA-N 0 1 255.321 2.707 20 30 CFEDMN CC#CCCCC(=O)NC[C@@H](c1ccsc1)N(C)C ZINC000362297839 381996651 /nfs/dbraw/zinc/99/66/51/381996651.db2.gz QLQHSSCYKHJMAU-AWEZNQCLSA-N 0 1 278.421 2.661 20 30 CFEDMN C=CCOCCN1CCC[C@@H](C(=O)c2ccc(F)cc2)C1 ZINC000293155802 382011084 /nfs/dbraw/zinc/01/10/84/382011084.db2.gz RFFJEMPOFZVLJD-OAHLLOKOSA-N 0 1 291.366 2.923 20 30 CFEDMN CC(C)[C@H]1CN(Cc2ccc(C#N)cc2F)CCCO1 ZINC000293079893 381980895 /nfs/dbraw/zinc/98/08/95/381980895.db2.gz JQHRFDFMMUXLBU-MRXNPFEDSA-N 0 1 276.355 2.944 20 30 CFEDMN CC[C@@H](NCc1cccc(F)c1C#N)[C@@H]1CCCO1 ZINC000362286284 381991005 /nfs/dbraw/zinc/99/10/05/381991005.db2.gz RCQJPRATTQXTQR-CABCVRRESA-N 0 1 262.328 2.745 20 30 CFEDMN CC(C)[C@H]1CN(CC#Cc2ccc(F)cc2)CCCO1 ZINC000293241990 382043935 /nfs/dbraw/zinc/04/39/35/382043935.db2.gz SSLYMUNSWJAAQW-QGZVFWFLSA-N 0 1 275.367 2.924 20 30 CFEDMN C=C(C)CN1CCOC[C@H]1Cc1c[nH]c2ccccc12 ZINC000374122641 382035949 /nfs/dbraw/zinc/03/59/49/382035949.db2.gz WLMRACMXFFQOAY-OAHLLOKOSA-N 0 1 270.376 2.987 20 30 CFEDMN CN(Cc1ccc(Cl)cc1C#N)C[C@@H]1CCOC1 ZINC000187126329 382105697 /nfs/dbraw/zinc/10/56/97/382105697.db2.gz REWRXNFXKJFPLY-NSHDSACASA-N 0 1 264.756 2.680 20 30 CFEDMN C#CCC[N@@H+]1CCC[C@H]1c1cc(OC)c(OC)c(OC)c1 ZINC000362456647 382078797 /nfs/dbraw/zinc/07/87/97/382078797.db2.gz UFRALCHNDYFGAH-AWEZNQCLSA-N 0 1 289.375 2.873 20 30 CFEDMN C=CCN1CCC[C@H](NC(=O)CCCc2ccccc2)C1 ZINC000352362358 382290725 /nfs/dbraw/zinc/29/07/25/382290725.db2.gz ODRFJERCQVOUHO-KRWDZBQOSA-N 0 1 286.419 2.776 20 30 CFEDMN C=C(C)C[C@@H](C)C(=O)N1[C@H](C)CN(CC)C[C@@H]1C ZINC000344438502 382264275 /nfs/dbraw/zinc/26/42/75/382264275.db2.gz WXOTUQNSGIJCCX-MCIONIFRSA-N 0 1 252.402 2.530 20 30 CFEDMN COc1ccc(OCCCN2CCC(F)(C#N)CC2)cc1 ZINC000352442448 382335443 /nfs/dbraw/zinc/33/54/43/382335443.db2.gz QJQYXRHIXJLNLE-UHFFFAOYSA-N 0 1 292.354 2.792 20 30 CFEDMN Cc1cccc2nc([C@H](C#N)C(=O)c3ccoc3)[nH]c21 ZINC000345373767 382299400 /nfs/dbraw/zinc/29/94/00/382299400.db2.gz MGOOVMMHRPMYJV-LLVKDONJSA-N 0 1 265.272 2.954 20 30 CFEDMN Cc1cccc2nc([C@H](C#N)C(=O)c3cscn3)[nH]c21 ZINC000345405133 382301644 /nfs/dbraw/zinc/30/16/44/382301644.db2.gz VWWAHJZPNBOAPC-SECBINFHSA-N 0 1 282.328 2.818 20 30 CFEDMN N#Cc1c(CN(CCCCO)C2CC2)cn2ccccc12 ZINC000304224667 382379090 /nfs/dbraw/zinc/37/90/90/382379090.db2.gz GAWVOBHRVBMFLS-UHFFFAOYSA-N 0 1 283.375 2.548 20 30 CFEDMN N#Cc1ccc(C(=O)Nc2nc(C3CC3)cs2)cc1O ZINC000188282008 382382337 /nfs/dbraw/zinc/38/23/37/382382337.db2.gz LAWLFFHURMAXJU-UHFFFAOYSA-N 0 1 285.328 2.850 20 30 CFEDMN COc1ccc(F)c(NC(=O)c2ccc(C#N)c(O)c2)c1 ZINC000188642393 382447720 /nfs/dbraw/zinc/44/77/20/382447720.db2.gz VVZKSQLCXGRJGI-UHFFFAOYSA-N 0 1 286.262 2.664 20 30 CFEDMN CC[C@H](CC#N)NC(=O)c1ccc(Nc2ccncc2)cc1 ZINC000358076674 382440113 /nfs/dbraw/zinc/44/01/13/382440113.db2.gz WKQCRESAUSUHAE-CQSZACIVSA-N 0 1 294.358 2.669 20 30 CFEDMN CC(C)(C)c1ncc(NC(=O)c2ccc(C#N)c(O)c2)cn1 ZINC000188373295 382400677 /nfs/dbraw/zinc/40/06/77/382400677.db2.gz ZOXARTIZTWGOCR-UHFFFAOYSA-N 0 1 296.330 2.604 20 30 CFEDMN N#Cc1ccc(C(=O)Nc2ccc3c(c2)COC3)cc1O ZINC000188751439 382470266 /nfs/dbraw/zinc/47/02/66/382470266.db2.gz RWDBZWWBWWHSPY-UHFFFAOYSA-N 0 1 280.283 2.546 20 30 CFEDMN C#C[C@@H](NCc1cn2cc(Cl)ccc2n1)C(C)C ZINC000289516482 197386816 /nfs/dbraw/zinc/38/68/16/197386816.db2.gz PAENPHJDYQXXEI-CYBMUJFWSA-N 0 1 261.756 2.735 20 30 CFEDMN CCn1cc(CNCc2cccc(OCCCC#N)c2)cn1 ZINC000353100295 382492576 /nfs/dbraw/zinc/49/25/76/382492576.db2.gz TZIJBVUCMHPURG-UHFFFAOYSA-N 0 1 298.390 2.875 20 30 CFEDMN CC(=Cc1cn(C(C)C)nc1C)c1nc(C)c(C#N)c(=O)[nH]1 ZINC000346689855 382474349 /nfs/dbraw/zinc/47/43/49/382474349.db2.gz RWLGFDTTXJAKRY-POHAHGRESA-N 0 1 297.362 2.596 20 30 CFEDMN Cc1ccc(NC(=O)c2ccc(C#N)c(O)c2)c(C)c1O ZINC000188787917 382477204 /nfs/dbraw/zinc/47/72/04/382477204.db2.gz ZPIYKOIXBPXUMK-UHFFFAOYSA-N 0 1 282.299 2.839 20 30 CFEDMN CCC(C)(C)OCCNCc1ccc(C#N)cc1F ZINC000308689012 382483537 /nfs/dbraw/zinc/48/35/37/382483537.db2.gz DXGNMRSUZBXTLB-UHFFFAOYSA-N 0 1 264.344 2.992 20 30 CFEDMN COc1cc(NC(=O)c2ccc(C#N)c(O)c2)ccc1F ZINC000188839805 382488486 /nfs/dbraw/zinc/48/84/86/382488486.db2.gz JQYZJHXMPDEGAG-UHFFFAOYSA-N 0 1 286.262 2.664 20 30 CFEDMN COC[C@]1(C)CCN(Cc2cccc(C#N)c2F)C1 ZINC000381377642 382520194 /nfs/dbraw/zinc/52/01/94/382520194.db2.gz OLFHWJREKLNXGU-OAHLLOKOSA-N 0 1 262.328 2.556 20 30 CFEDMN C[C@@H]1CC[C@H](O)CN1CC#Cc1ccc(Cl)cc1 ZINC000421003604 382505634 /nfs/dbraw/zinc/50/56/34/382505634.db2.gz CIBIQTUXRPURPH-DOMZBBRYSA-N 0 1 263.768 2.537 20 30 CFEDMN C=CCC[C@H](CO)NCc1c(F)cccc1Cl ZINC000321061608 382539507 /nfs/dbraw/zinc/53/95/07/382539507.db2.gz YNGCCRTZPGGHTC-SNVBAGLBSA-N 0 1 257.736 2.896 20 30 CFEDMN C=CCCC(=O)N[C@@H]1CCN(C)[C@@H]1c1ccc(F)cc1 ZINC000366840246 382552711 /nfs/dbraw/zinc/55/27/11/382552711.db2.gz GBEPLZPMMWUPIY-GDBMZVCRSA-N 0 1 276.355 2.653 20 30 CFEDMN C#CCCN1CCC[C@@H]1c1nc2ccccc2n1C ZINC000366906747 382554169 /nfs/dbraw/zinc/55/41/69/382554169.db2.gz MQTLRFVTJSEWDP-OAHLLOKOSA-N 0 1 253.349 2.734 20 30 CFEDMN CC(C)c1nc([C@@H](C)NC(=O)N2CCC(C)CC2)n[nH]1 ZINC000328617095 382555131 /nfs/dbraw/zinc/55/51/31/382555131.db2.gz TVEODDNLWYLCMY-LLVKDONJSA-N 0 1 279.388 2.635 20 30 CFEDMN CC(=O)Nc1ccn([C@H]2CCN(Cc3ccco3)C2)n1 ZINC000328619889 382555906 /nfs/dbraw/zinc/55/59/06/382555906.db2.gz GIEYRLRHEBDRSM-LBPRGKRZSA-N 0 1 274.324 2.531 20 30 CFEDMN CC(C)c1[nH]ncc1C(=O)Nc1ccc(F)c(C#N)c1 ZINC000189338337 382594821 /nfs/dbraw/zinc/59/48/21/382594821.db2.gz KNIOINKDIBMZFV-UHFFFAOYSA-N 0 1 272.283 2.796 20 30 CFEDMN COc1cnccc1[C@@H](C)NCc1cccc(C#N)c1 ZINC000189545102 382622541 /nfs/dbraw/zinc/62/25/41/382622541.db2.gz MGSPZMUOHITLEK-GFCCVEGCSA-N 0 1 267.332 2.813 20 30 CFEDMN CC(=O)Nc1cccc([C@H](C)NCc2cc(C#N)n(C)c2)c1 ZINC000189579623 382626333 /nfs/dbraw/zinc/62/63/33/382626333.db2.gz OQNGWQHHECHUNP-LBPRGKRZSA-N 0 1 296.374 2.706 20 30 CFEDMN Cn1cc(CN[C@H]2CCOc3ccccc32)cc1C#N ZINC000189585090 382626850 /nfs/dbraw/zinc/62/68/50/382626850.db2.gz GAUVLOQTMVCEDV-HNNXBMFYSA-N 0 1 267.332 2.510 20 30 CFEDMN Cc1cc([C@@H](C)NCC(=O)NC2(C#N)CCC2)c(C)s1 ZINC000346937909 382578528 /nfs/dbraw/zinc/57/85/28/382578528.db2.gz GUQHXLZYYOIXKM-LLVKDONJSA-N 0 1 291.420 2.578 20 30 CFEDMN CC[C@]1(CO)CCCN(Cc2ccc(C#N)s2)C1 ZINC000190233403 382658104 /nfs/dbraw/zinc/65/81/04/382658104.db2.gz JTXMVAOMJHNNAO-AWEZNQCLSA-N 0 1 264.394 2.604 20 30 CFEDMN Cn1cc(CN[C@@H]2CCOc3ccc(F)cc32)cc1C#N ZINC000190989971 382687553 /nfs/dbraw/zinc/68/75/53/382687553.db2.gz IMPGJMOPHOZYNW-OAHLLOKOSA-N 0 1 285.322 2.649 20 30 CFEDMN C[C@@H]1CSCCN(Cc2ccc(F)c(C#N)c2)C1 ZINC000190461321 382669445 /nfs/dbraw/zinc/66/94/45/382669445.db2.gz DFAVFYYVBAKUKH-NSHDSACASA-N 0 1 264.369 2.882 20 30 CFEDMN Cc1ccn(C)c1C(=O)[C@@H](C#N)c1cnc2ccccc2n1 ZINC000190897254 382684363 /nfs/dbraw/zinc/68/43/63/382684363.db2.gz QVFCYKDDCOPVJY-LBPRGKRZSA-N 0 1 290.326 2.767 20 30 CFEDMN Cc1noc(C)c1CNCc1ccc(CC#N)cc1 ZINC000398992177 382637016 /nfs/dbraw/zinc/63/70/16/382637016.db2.gz LYPVEIDTCQEXPF-UHFFFAOYSA-N 0 1 255.321 2.647 20 30 CFEDMN C=CCN(CCOC)Cc1cccc(OC(F)F)c1 ZINC000191756051 382702406 /nfs/dbraw/zinc/70/24/06/382702406.db2.gz AQEZBCSKHNHFLM-UHFFFAOYSA-N 0 1 271.307 2.922 20 30 CFEDMN C=CCN(CCOC)Cc1c[nH]nc1-c1ccc(C)o1 ZINC000191763347 382702412 /nfs/dbraw/zinc/70/24/12/382702412.db2.gz NTNURVPMHJXJHL-UHFFFAOYSA-N 0 1 275.352 2.613 20 30 CFEDMN C[C@H](C#N)CN(CCCC1(C#N)CCOCC1)C1CC1 ZINC000337197272 382774741 /nfs/dbraw/zinc/77/47/41/382774741.db2.gz YHUKICAKQBRSNN-CQSZACIVSA-N 0 1 275.396 2.711 20 30 CFEDMN C=CCN1CC[C@H](N2CCC[C@H]2/C=C\c2ccccc2)C1=O ZINC000337205781 382776713 /nfs/dbraw/zinc/77/67/13/382776713.db2.gz LFOVOYNIFGCCJR-JSSIJEINSA-N 0 1 296.414 2.951 20 30 CFEDMN C=CCOc1ccccc1C(=O)NCCCc1cn[nH]c1C ZINC000194756591 382753702 /nfs/dbraw/zinc/75/37/02/382753702.db2.gz MZAASEONONYFJK-UHFFFAOYSA-N 0 1 299.374 2.646 20 30 CFEDMN C=C(C)C[C@@H](C)C(=O)Nc1ncc(C(F)(F)F)[nH]1 ZINC000337628731 382849867 /nfs/dbraw/zinc/84/98/67/382849867.db2.gz MICZYVURHLAYAY-SSDOTTSWSA-N 0 1 261.247 2.969 20 30 CFEDMN C=CCCOCCNCc1nn(CC)c2ccccc12 ZINC000225376163 382815172 /nfs/dbraw/zinc/81/51/72/382815172.db2.gz OCFAHYDZNNIEKP-UHFFFAOYSA-N 0 1 273.380 2.739 20 30 CFEDMN N#Cc1ccc(C[N@H+]2[C@H](C(=O)[O-])C[C@H]3CCCC[C@@H]32)cc1 ZINC000227219136 382834769 /nfs/dbraw/zinc/83/47/69/382834769.db2.gz JRFQEPHOGLRHHK-PMPSAXMXSA-N 0 1 284.359 2.776 20 30 CFEDMN N#Cc1ccc(F)c(CN2CC[C@]3(O)CCCC[C@H]3C2)c1 ZINC000227361006 382836550 /nfs/dbraw/zinc/83/65/50/382836550.db2.gz ZANWCAOWBWRVOF-DOTOQJQBSA-N 0 1 288.366 2.824 20 30 CFEDMN CCOC(=O)CN(CCCCC(C)(C)C#N)C(C)C ZINC000233690852 382871651 /nfs/dbraw/zinc/87/16/51/382871651.db2.gz MCUHTESPJSWJEN-UHFFFAOYSA-N 0 1 268.401 2.980 20 30 CFEDMN COC(=O)c1cccc(CN2CCCCCC2)c1C#N ZINC000533775051 382910519 /nfs/dbraw/zinc/91/05/19/382910519.db2.gz LPXMEMXHWBOILL-UHFFFAOYSA-N 0 1 272.348 2.721 20 30 CFEDMN CCN(Cc1nnc(-c2cccc(C#N)c2)o1)C1CCC1 ZINC000441379132 382912092 /nfs/dbraw/zinc/91/20/92/382912092.db2.gz FDCPJNCXOQABHA-UHFFFAOYSA-N 0 1 282.347 2.983 20 30 CFEDMN Cc1ccc(NC(=O)c2ccc(C#N)c(O)c2)c2n[nH]cc21 ZINC000442618526 382939238 /nfs/dbraw/zinc/93/92/38/382939238.db2.gz GBTZDZOZVOTILQ-UHFFFAOYSA-N 0 1 292.298 2.701 20 30 CFEDMN Cc1nc(C)c(NC(=O)c2ccc(C#N)c(O)c2)s1 ZINC000442650991 382941188 /nfs/dbraw/zinc/94/11/88/382941188.db2.gz PVYGJWPQMNGYTL-UHFFFAOYSA-N 0 1 273.317 2.590 20 30 CFEDMN N#CC1(c2ccccc2)CCC([NH2+]Cc2ccn[nH]2)CC1 ZINC000536637675 382956903 /nfs/dbraw/zinc/95/69/03/382956903.db2.gz PEAWIEJSPCDJBC-UHFFFAOYSA-N 0 1 280.375 2.903 20 30 CFEDMN CCC[C@@H](C#N)NC(=O)c1cccc(Br)c1O ZINC000538741399 382960353 /nfs/dbraw/zinc/96/03/53/382960353.db2.gz XIMURWBMKZOJBM-QMMMGPOBSA-N 0 1 297.152 2.577 20 30 CFEDMN CN(CC1(C#N)CC1)C1CCN(C(=O)OC(C)(C)C)CC1 ZINC000494709572 382921228 /nfs/dbraw/zinc/92/12/28/382921228.db2.gz GWBHSBUWBJDRFU-UHFFFAOYSA-N 0 1 293.411 2.621 20 30 CFEDMN N#CC(C(=O)c1cnc2ccsc2c1)c1ccncn1 ZINC000544816088 382975663 /nfs/dbraw/zinc/97/56/63/382975663.db2.gz UZJZOHRLXIAPSV-JTQLQIEISA-N 0 1 280.312 2.576 20 30 CFEDMN N#CC(C(=O)c1cnc2ccsc2c1)c1ccncn1 ZINC000544816089 382975750 /nfs/dbraw/zinc/97/57/50/382975750.db2.gz UZJZOHRLXIAPSV-SNVBAGLBSA-N 0 1 280.312 2.576 20 30 CFEDMN C[C@H]1CCN(CC(=O)NC2(C#N)CCCCC2)CC1(C)C ZINC000544784538 382975852 /nfs/dbraw/zinc/97/58/52/382975852.db2.gz CDLIMZQQZIHJMY-AWEZNQCLSA-N 0 1 291.439 2.697 20 30 CFEDMN C[C@H](C#N)CN(CCCO[C@H]1CCCCO1)C1CC1 ZINC000338288737 382978503 /nfs/dbraw/zinc/97/85/03/382978503.db2.gz SIMCRGUNKOBKHS-HIFRSBDPSA-N 0 1 266.385 2.544 20 30 CFEDMN C=CCC[C@H](O)C[N@H+](C)Cc1cc(C)ccc1F ZINC000444747036 382979474 /nfs/dbraw/zinc/97/94/74/382979474.db2.gz XEHHTQPJQXZVIG-AWEZNQCLSA-N 0 1 251.345 2.893 20 30 CFEDMN C=CCC[C@H](O)CN(C)Cc1cc(C)ccc1F ZINC000444747036 382979478 /nfs/dbraw/zinc/97/94/78/382979478.db2.gz XEHHTQPJQXZVIG-AWEZNQCLSA-N 0 1 251.345 2.893 20 30 CFEDMN C=CC[C@@H]1N(Cc2nnc(CC)[nH]2)CCCC1(C)C ZINC000444780277 382981409 /nfs/dbraw/zinc/98/14/09/382981409.db2.gz DNXHPIVURMXAHJ-LBPRGKRZSA-N 0 1 262.401 2.934 20 30 CFEDMN C=CC[C@@H](C)NC(=O)N(C)Cc1cc(C(C)(C)C)[nH]n1 ZINC000445114569 382983660 /nfs/dbraw/zinc/98/36/60/382983660.db2.gz ZJSGEGSFSPYERB-LLVKDONJSA-N 0 1 278.400 2.813 20 30 CFEDMN COC(=O)c1cccc(CN[C@H](C)c2ccc(C#N)cc2)n1 ZINC000548936646 382994026 /nfs/dbraw/zinc/99/40/26/382994026.db2.gz JNWCUGUOJVFNJF-GFCCVEGCSA-N 0 1 295.342 2.591 20 30 CFEDMN CCCCN(CC)C(=O)CN[C@@H](C)c1ccc(C#N)cc1 ZINC000338348155 382998870 /nfs/dbraw/zinc/99/88/70/382998870.db2.gz MHOHIGUIFZSJIJ-AWEZNQCLSA-N 0 1 287.407 2.857 20 30 CFEDMN C[C@H](C(=O)N(CCC#N)c1ccccc1)N1CCC[C@H]1C ZINC000245443572 383000916 /nfs/dbraw/zinc/00/09/16/383000916.db2.gz IYMMQFMSHQUJPX-HUUCEWRRSA-N 0 1 285.391 2.806 20 30 CFEDMN C[C@@H](NCCOc1ccccc1C#N)c1ccncc1F ZINC000338365746 383007119 /nfs/dbraw/zinc/00/71/19/383007119.db2.gz FGVVCKIPGRUUSW-GFCCVEGCSA-N 0 1 285.322 2.822 20 30 CFEDMN N#Cc1ccc2ncc(CN3CCC[C@H]4CCC[C@H]43)n2c1 ZINC000245560753 383008000 /nfs/dbraw/zinc/00/80/00/383008000.db2.gz NGWDLZDILKQOCC-GDBMZVCRSA-N 0 1 280.375 2.970 20 30 CFEDMN Cc1ccc(-c2cc(=NC(=O)c3cccc(C#N)c3)[nH][nH]2)o1 ZINC000447801396 383008698 /nfs/dbraw/zinc/00/86/98/383008698.db2.gz BYASALLYTHDWQJ-UHFFFAOYSA-N 0 1 292.298 2.524 20 30 CFEDMN CC#CCCNC(=O)[C@H]1CCCCN1Cc1ccccc1 ZINC000541747527 382965996 /nfs/dbraw/zinc/96/59/96/382965996.db2.gz JQOUWRSPDDDKEW-QGZVFWFLSA-N 0 1 284.403 2.571 20 30 CFEDMN CC#CCCNC(=O)[C@@H](c1ccccc1)N(CC)CC ZINC000543604975 382971058 /nfs/dbraw/zinc/97/10/58/382971058.db2.gz HTPSQPOQVJIQDT-MRXNPFEDSA-N 0 1 272.392 2.599 20 30 CFEDMN C=CCN1C(=O)N=NC1SCc1nc(C2CC2)cs1 ZINC000543141419 382971304 /nfs/dbraw/zinc/97/13/04/382971304.db2.gz FCMGIUVCGGUPEF-UHFFFAOYSA-N 0 1 294.405 2.796 20 30 CFEDMN C#CCOc1ccccc1C[N@H+]1CC[C@@H]2OCCC[C@H]2C1 ZINC000245772498 383034383 /nfs/dbraw/zinc/03/43/83/383034383.db2.gz SCIHGGFRRFLDQN-WMZOPIPTSA-N 0 1 285.387 2.700 20 30 CFEDMN C=C(C)CN(CC)C(=O)CN1CCS[C@H]2CCCC[C@H]21 ZINC000246083293 383061726 /nfs/dbraw/zinc/06/17/26/383061726.db2.gz FRLMUOUOXWBYJZ-CABCVRRESA-N 0 1 296.480 2.771 20 30 CFEDMN N#Cc1cccc(NC(=O)CN2CC[C@@H](CC3CC3)C2)c1 ZINC000550049555 383019498 /nfs/dbraw/zinc/01/94/98/383019498.db2.gz PSXKRMKOGJAEJA-HNNXBMFYSA-N 0 1 283.375 2.619 20 30 CFEDMN CC(C)(C)OC(=O)N1CCC([C@@H]2C[C@H]2NCCC#N)CC1 ZINC000496744075 383123859 /nfs/dbraw/zinc/12/38/59/383123859.db2.gz WVCTWQQMZZOMLD-UONOGXRCSA-N 0 1 293.411 2.525 20 30 CFEDMN CS[C@H]1CCCCN(C[C@@H](C#N)CCC#N)C1 ZINC000246957191 383125601 /nfs/dbraw/zinc/12/56/01/383125601.db2.gz UVIKWSGIGGUHHP-OLZOCXBDSA-N 0 1 251.399 2.647 20 30 CFEDMN N#CC(C(=O)NCc1ccco1)c1nc2ccccc2s1 ZINC000505437893 383142064 /nfs/dbraw/zinc/14/20/64/383142064.db2.gz JCUXOFXQFKJUDN-LLVKDONJSA-N 0 1 297.339 2.813 20 30 CFEDMN Cc1cccc2nc([C@H](C#N)C(=O)Nc3cccnc3)[nH]c21 ZINC000505439106 383142211 /nfs/dbraw/zinc/14/22/11/383142211.db2.gz VBEYFWAFYVVCOC-LBPRGKRZSA-N 0 1 291.314 2.512 20 30 CFEDMN Cc1cnc([C@H](C)CNC[C@@H](C#N)CCC#N)s1 ZINC000583290661 383089107 /nfs/dbraw/zinc/08/91/07/383089107.db2.gz GAZJISBVTIIGLY-ZYHUDNBSSA-N 0 1 262.382 2.588 20 30 CFEDMN C=CC(C)(C)C(=O)NC[C@H](c1ccsc1)N(C)C ZINC000448668662 383095909 /nfs/dbraw/zinc/09/59/09/383095909.db2.gz CHPOCKDLISEZMT-GFCCVEGCSA-N 0 1 266.410 2.679 20 30 CFEDMN C=CC[N@H+](CCc1ccccc1)[C@H](C(=O)[O-])C1CC1 ZINC000584534888 383112133 /nfs/dbraw/zinc/11/21/33/383112133.db2.gz IRIRHNCXLIURRT-HNNXBMFYSA-N 0 1 259.349 2.580 20 30 CFEDMN N#Cc1ccc(F)c(CN2CC[C@H]3OCCC[C@H]3C2)c1 ZINC000246902546 383118985 /nfs/dbraw/zinc/11/89/85/383118985.db2.gz VQKHZOMWDBBCBW-XJKSGUPXSA-N 0 1 274.339 2.698 20 30 CFEDMN CC[C@@H](CC#N)NCCC(=O)Nc1ccccc1C ZINC000565172267 383176475 /nfs/dbraw/zinc/17/64/75/383176475.db2.gz QIWCWTBBGDUPTR-ZDUSSCGKSA-N 0 1 259.353 2.606 20 30 CFEDMN CCN(CC/C=C/c1cncc(OC)c1)C[C@H](C)C#N ZINC000565478198 383179454 /nfs/dbraw/zinc/17/94/54/383179454.db2.gz MVDVIXPDEPKJLC-HZRUHFOJSA-N 0 1 273.380 2.975 20 30 CFEDMN C=C(C)CN(CCOCCC#N)Cc1cnn(C(C)C)c1 ZINC000339193539 383182365 /nfs/dbraw/zinc/18/23/65/383182365.db2.gz HUJGQCMAQWAKKK-UHFFFAOYSA-N 0 1 290.411 2.772 20 30 CFEDMN C=C(C)CN(C)C[C@H](C)c1ccc(S(C)(=O)=O)cc1 ZINC000449225768 383184936 /nfs/dbraw/zinc/18/49/36/383184936.db2.gz LDHPFQMUKQONEF-ZDUSSCGKSA-N 0 1 281.421 2.702 20 30 CFEDMN C[C@H](Cc1ccccc1[N+](=O)[O-])N[C@@H]1CCC[C@@H]1C#N ZINC000449239435 383186106 /nfs/dbraw/zinc/18/61/06/383186106.db2.gz JMCDCTVIAPVGHV-MRVWCRGKSA-N 0 1 273.336 2.808 20 30 CFEDMN COc1ccc(F)c(CN2CCC(CC#N)CC2)c1 ZINC000556837442 383152525 /nfs/dbraw/zinc/15/25/25/383152525.db2.gz NRUKAOJQPJBDQY-UHFFFAOYSA-N 0 1 262.328 2.960 20 30 CFEDMN C=CCC1(CNC(=O)CN2CC[C@@H](C)C2)CCCC1 ZINC000514870757 383157011 /nfs/dbraw/zinc/15/70/11/383157011.db2.gz AJGBSMVYSYFCAP-CQSZACIVSA-N 0 1 264.413 2.581 20 30 CFEDMN C=CCCCCN[C@@H](c1nc(C)no1)C1CCOCC1 ZINC000515206507 383158722 /nfs/dbraw/zinc/15/87/22/383158722.db2.gz QJMKXIWEEGRWAW-CQSZACIVSA-N 0 1 279.384 2.792 20 30 CFEDMN C=CCN(Cc1ccccc1)C(=O)[C@H](C)Cc1cnc[nH]1 ZINC000515355021 383159536 /nfs/dbraw/zinc/15/95/36/383159536.db2.gz PMSGXZHABXCWGZ-CQSZACIVSA-N 0 1 283.375 2.803 20 30 CFEDMN C[C@@H](C(=O)N(C)C1(C#N)CCC(C)CC1)N1C[C@H](C)[C@H]1C ZINC000339570337 383246750 /nfs/dbraw/zinc/24/67/50/383246750.db2.gz XLIRRJXHWFVGEG-HJTLVLNNSA-N 0 1 291.439 2.646 20 30 CFEDMN C[C@@H](C(=O)N(C)C1(C#N)CCC(C)CC1)N1C[C@@H](C)[C@H]1C ZINC000339570340 383246977 /nfs/dbraw/zinc/24/69/77/383246977.db2.gz XLIRRJXHWFVGEG-QJNCVLDKSA-N 0 1 291.439 2.646 20 30 CFEDMN C=C(C)C(C)(C)C(=O)N1CC([N@@H+](C)Cc2ccccc2)C1 ZINC000424822822 383271924 /nfs/dbraw/zinc/27/19/24/383271924.db2.gz AHSNTVXLCWWMRW-UHFFFAOYSA-N 0 1 286.419 2.932 20 30 CFEDMN C=C(C)C(C)(C)C(=O)N1CC(N(C)Cc2ccccc2)C1 ZINC000424822822 383271930 /nfs/dbraw/zinc/27/19/30/383271930.db2.gz AHSNTVXLCWWMRW-UHFFFAOYSA-N 0 1 286.419 2.932 20 30 CFEDMN CCO[C@H]1CCN(Cc2ccccc2C#N)C[C@@H]1C ZINC000449497022 383334677 /nfs/dbraw/zinc/33/46/77/383334677.db2.gz JWSSBUJWTAAIHM-BBRMVZONSA-N 0 1 258.365 2.805 20 30 CFEDMN C=CCCC[C@@H](C)[N@@H+](C)[C@@H]1CCCCN(C)C1=O ZINC000634743010 383341882 /nfs/dbraw/zinc/34/18/82/383341882.db2.gz GKJNIQKKPCVHEB-ZIAGYGMSSA-N 0 1 252.402 2.674 20 30 CFEDMN C[C@@H]1CCC[C@@H]1NCc1c(C#N)cccc1[N+](=O)[O-] ZINC000459416723 383288030 /nfs/dbraw/zinc/28/80/30/383288030.db2.gz HHMINMGNRQKIJQ-MFKMUULPSA-N 0 1 259.309 2.745 20 30 CFEDMN CCO[C@H]1CCN(Cc2ccc(C#N)cc2F)C[C@@H]1C ZINC000449510615 383346815 /nfs/dbraw/zinc/34/68/15/383346815.db2.gz XLTMUEMERXZAJL-LRDDRELGSA-N 0 1 276.355 2.944 20 30 CFEDMN C=CC(C)(C)CNCc1csc(N(C(C)=O)C2CC2)n1 ZINC000449486444 383326065 /nfs/dbraw/zinc/32/60/65/383326065.db2.gz SHWTWNLGODRSCJ-UHFFFAOYSA-N 0 1 293.436 2.960 20 30 CFEDMN CC(C)(C)C(=O)NC[C@H]1CCCN(CC2(C#N)CCC2)C1 ZINC000450409012 383396010 /nfs/dbraw/zinc/39/60/10/383396010.db2.gz VJZLWKFHWMIZFS-CQSZACIVSA-N 0 1 291.439 2.555 20 30 CFEDMN CN(CCOc1ccccc1F)Cc1ccc(C#N)cn1 ZINC000568465780 383404249 /nfs/dbraw/zinc/40/42/49/383404249.db2.gz SYBWDHGLZVMYSZ-UHFFFAOYSA-N 0 1 285.322 2.603 20 30 CFEDMN C=C[C@@H]1OCC[C@H]1NCc1ncc(C(C)C)s1 ZINC000449520847 383353296 /nfs/dbraw/zinc/35/32/96/383353296.db2.gz QRBSTBKLPDVQOA-MNOVXSKESA-N 0 1 252.383 2.700 20 30 CFEDMN N#Cc1cscc1C(=O)Nc1cccc(-c2nnc[nH]2)c1 ZINC000340326678 383413703 /nfs/dbraw/zinc/41/37/03/383413703.db2.gz FANBRIGNPKSLKX-UHFFFAOYSA-N 0 1 295.327 2.657 20 30 CFEDMN CCO[C@@H]1C[C@H](N(C)CC2(C#N)CCC2)C12CCC2 ZINC000450493672 383436679 /nfs/dbraw/zinc/43/66/79/383436679.db2.gz FNLKKLAMJMRTIS-UONOGXRCSA-N 0 1 262.397 2.960 20 30 CFEDMN CSc1ccc(NC(=O)c2ccc(C#N)c(O)c2)cn1 ZINC000526943032 383439766 /nfs/dbraw/zinc/43/97/66/383439766.db2.gz ZGZXRUULFCIWAZ-UHFFFAOYSA-N 0 1 285.328 2.633 20 30 CFEDMN CC(C)c1nc(CN[C@@H](C)c2ccc(C#N)cc2)n[nH]1 ZINC000428312730 383449140 /nfs/dbraw/zinc/44/91/40/383449140.db2.gz GOACOVXACJNSKN-NSHDSACASA-N 0 1 269.352 2.651 20 30 CFEDMN C=CCC1(C(=O)NCCN2CC=C(C)CC2)CCCC1 ZINC000450615865 383477828 /nfs/dbraw/zinc/47/78/28/383477828.db2.gz AHVLXGJMJBMVAX-UHFFFAOYSA-N 0 1 276.424 2.891 20 30 CFEDMN N#CC1(CN(Cc2ccccc2)[C@@H](CO)C2CC2)CCC1 ZINC000450623885 383478444 /nfs/dbraw/zinc/47/84/44/383478444.db2.gz RCSOFWRLENKTNJ-KRWDZBQOSA-N 0 1 284.403 2.953 20 30 CFEDMN C[C@@H](c1ccccc1)[C@H](O)CN(CCC#N)CC1CC1 ZINC000450462294 383420155 /nfs/dbraw/zinc/42/01/55/383420155.db2.gz FQOLBEFUCOKJJJ-WMLDXEAASA-N 0 1 272.392 2.777 20 30 CFEDMN C=CC[C@H](C(=O)N1CCN(C)[C@@H](C)[C@@H]1C)c1ccccc1 ZINC000428021162 383420347 /nfs/dbraw/zinc/42/03/47/383420347.db2.gz HNDCXRQOULZYNA-ZOBUZTSGSA-N 0 1 286.419 2.897 20 30 CFEDMN Cc1cc(CN[C@H](CO)c2cccc(F)c2)ccc1C#N ZINC000488251798 383508732 /nfs/dbraw/zinc/50/87/32/383508732.db2.gz RKFWHBBWEYPIRZ-QGZVFWFLSA-N 0 1 284.334 2.829 20 30 CFEDMN Cc1cccnc1C(=O)C(C#N)c1nc2ccccc2n1C ZINC000429353629 383522761 /nfs/dbraw/zinc/52/27/61/383522761.db2.gz AEDNMYSYMMBRFT-LBPRGKRZSA-N 0 1 290.326 2.767 20 30 CFEDMN CCOC(=O)CC(C)(C)N(C)Cc1cccc(C#N)c1F ZINC000341129603 383576559 /nfs/dbraw/zinc/57/65/59/383576559.db2.gz QHXJAWSKGCYOCB-UHFFFAOYSA-N 0 1 292.354 2.861 20 30 CFEDMN C=CCN(CCC#N)C[C@H](C)CC1CCOCC1 ZINC000430099496 383588961 /nfs/dbraw/zinc/58/89/61/383588961.db2.gz LOVYJYFNYACPRC-CQSZACIVSA-N 0 1 250.386 2.841 20 30 CFEDMN CCN(CC)[C@@H](C(=O)NCC1(CC#N)CC1)c1ccccc1 ZINC000431178505 383637640 /nfs/dbraw/zinc/63/76/40/383637640.db2.gz JGWGPAZGVTZBCH-MRXNPFEDSA-N 0 1 299.418 2.880 20 30 CFEDMN CC(C)[C@@H]1CN(C(=O)[C@H](C)C#N)CCN1Cc1ccccc1 ZINC000529802260 383755580 /nfs/dbraw/zinc/75/55/80/383755580.db2.gz GALWMBCDPYGQKI-WBVHZDCISA-N 0 1 299.418 2.515 20 30 CFEDMN N#Cc1ccc(Cl)cc1NCCCCN1CCOCC1 ZINC000264656618 383770147 /nfs/dbraw/zinc/77/01/47/383770147.db2.gz PZWMBFDPDPJCTK-UHFFFAOYSA-N 0 1 293.798 2.736 20 30 CFEDMN C=CCNC(=O)CN1CCC[C@]1(C)Cc1ccccc1F ZINC000646013601 383819954 /nfs/dbraw/zinc/81/99/54/383819954.db2.gz GPJVQZFCMAQGSZ-QGZVFWFLSA-N 0 1 290.382 2.525 20 30 CFEDMN CC[C@@H](O)[C@H]1CCCCN1Cc1cc(C#N)ccc1F ZINC000265163864 383849018 /nfs/dbraw/zinc/84/90/18/383849018.db2.gz CGJKRXHSFWQLIA-HZPDHXFCSA-N 0 1 276.355 2.823 20 30 CFEDMN C=C(C)[C@H]1OCC[C@H]1C(=O)Nc1nc2ccc(F)cc2[nH]1 ZINC000573042601 383862199 /nfs/dbraw/zinc/86/21/99/383862199.db2.gz RKLXQAPRQNVCLC-ZWNOBZJWSA-N 0 1 289.310 2.622 20 30 CFEDMN C[C@@H](C#N)CN(C(=O)c1ccc(O)c(Cl)c1)C1CC1 ZINC000436739549 383887165 /nfs/dbraw/zinc/88/71/65/383887165.db2.gz OESNNCLHMHLWAG-VIFPVBQESA-N 0 1 278.739 2.810 20 30 CFEDMN C=CCN(CCc1ccco1)C(=O)c1c(O)cccc1F ZINC000436989822 383899490 /nfs/dbraw/zinc/89/94/90/383899490.db2.gz PNFMGPJRJJFMON-UHFFFAOYSA-N 0 1 289.306 2.995 20 30 CFEDMN C=C(C)[C@@H]1OCC[C@H]1CNC(=O)c1ccc(O)c(Cl)c1 ZINC000437520478 383905687 /nfs/dbraw/zinc/90/56/87/383905687.db2.gz YKYBSWVIQPIOKO-FZMZJTMJSA-N 0 1 295.766 2.757 20 30 CFEDMN Cc1ccc(-c2n[nH]c(NC(=O)C3(C#N)CC(C)C3)n2)cc1 ZINC000532611697 384049994 /nfs/dbraw/zinc/04/99/94/384049994.db2.gz MTWJLCVVMRELFV-UHFFFAOYSA-N 0 1 295.346 2.659 20 30 CFEDMN C=CC(C)(C)CCNC(=O)N[C@@H](C)c1n[nH]c(C(C)C)n1 ZINC000637322589 384028422 /nfs/dbraw/zinc/02/84/22/384028422.db2.gz ZCGRUWCOAQMKRE-NSHDSACASA-N 0 1 293.415 2.891 20 30 CFEDMN Cc1cc(C#N)ccc1C(=O)NC[C@@H](C)[N@H+]1CCCC[C@H]1C ZINC000438905615 384029937 /nfs/dbraw/zinc/02/99/37/384029937.db2.gz ZWKSTBLBAOEYMM-HUUCEWRRSA-N 0 1 299.418 2.859 20 30 CFEDMN Cc1ccoc1CNCc1ccc(OCC#N)cc1 ZINC000266245450 384126621 /nfs/dbraw/zinc/12/66/21/384126621.db2.gz YJKGQKOCGQTPRB-UHFFFAOYSA-N 0 1 256.305 2.780 20 30 CFEDMN CC#CC(=O)NC[C@H](c1ccccc1Cl)N(CC)CC ZINC000277468275 384311979 /nfs/dbraw/zinc/31/19/79/384311979.db2.gz PJSDFWDKZJDFDU-OAHLLOKOSA-N 0 1 292.810 2.862 20 30 CFEDMN N#Cc1ccc(CN2CCC[C@@H]([C@H](O)C(F)(F)F)C2)cc1 ZINC000277700018 384379736 /nfs/dbraw/zinc/37/97/36/384379736.db2.gz HRWVHUHFLJNRGT-KGLIPLIRSA-N 0 1 298.308 2.693 20 30 CFEDMN C#C[C@H](NCc1cnc([C@H]2CCCO2)s1)C(C)C ZINC000289399524 197328324 /nfs/dbraw/zinc/32/83/24/197328324.db2.gz ONIIPIJXHJBDMR-QWHCGFSZSA-N 0 1 264.394 2.742 20 30 CFEDMN C=CCN1CC[C@@H](N(CC)[C@H](C)c2cccc(O)c2)C1=O ZINC000281138650 195120617 /nfs/dbraw/zinc/12/06/17/195120617.db2.gz AJHPKYPOFLDZOA-CZUORRHYSA-N 0 1 288.391 2.562 20 30 CFEDMN C=CC[C@@H]1CCCC[C@@H]1NC(=O)c1oc(CN)cc1C ZINC000638401176 384622631 /nfs/dbraw/zinc/62/26/31/384622631.db2.gz QELBPEFQFOVWRE-OCCSQVGLSA-N 0 1 276.380 2.911 20 30 CFEDMN C=C(C)[C@H](Cc1nc(-c2ccn3cncc3c2)no1)OCC ZINC000279532591 384667373 /nfs/dbraw/zinc/66/73/73/384667373.db2.gz LFSUFHPBFPUCED-AWEZNQCLSA-N 0 1 298.346 2.908 20 30 CFEDMN CN(CCCCCO)Cc1ccc(Cl)cc1C#N ZINC000279743078 384745193 /nfs/dbraw/zinc/74/51/93/384745193.db2.gz PDFHGHOCTWSPQT-UHFFFAOYSA-N 0 1 266.772 2.806 20 30 CFEDMN C#CC[C@@H](NCc1cn(C)nc1C)c1ccccc1 ZINC000270165685 385000782 /nfs/dbraw/zinc/00/07/82/385000782.db2.gz GLOQSULNJMSNQS-MRXNPFEDSA-N 0 1 253.349 2.583 20 30 CFEDMN N#C[C@H]1CC[C@@H]([NH+]2CCC(C(=O)c3ccc([O-])cc3)CC2)C1 ZINC000645092113 385183284 /nfs/dbraw/zinc/18/32/84/385183284.db2.gz JRMZIOVWNBQOLO-XJKSGUPXSA-N 0 1 298.386 2.979 20 30 CFEDMN C#CCCN(CC)CC(=O)Nc1c(C)cccc1C ZINC000270553212 385145779 /nfs/dbraw/zinc/14/57/79/385145779.db2.gz UXWBONHHVRXKNF-UHFFFAOYSA-N 0 1 258.365 2.587 20 30 CFEDMN C#Cc1ccc(CN(CCO)Cc2ccccc2OC)cc1 ZINC000289100647 197235039 /nfs/dbraw/zinc/23/50/39/197235039.db2.gz MBOWTSSYGLFMFO-UHFFFAOYSA-N 0 1 295.382 2.671 20 30 CFEDMN C=CCCC(=O)Nc1ccccc1CN1CCC(O)CC1 ZINC000270987716 385292449 /nfs/dbraw/zinc/29/24/49/385292449.db2.gz WOGWJKSPNCWXSG-UHFFFAOYSA-N 0 1 288.391 2.548 20 30 CFEDMN C#CCCCN(C)CC(=O)Nc1cccc(C)c1C ZINC000271062531 385325829 /nfs/dbraw/zinc/32/58/29/385325829.db2.gz SXXWDTWAHWCOOW-UHFFFAOYSA-N 0 1 258.365 2.587 20 30 CFEDMN C[C@H](NC[C@@](C)(O)C(F)(F)F)c1ccc(C#N)c(F)c1 ZINC000271911854 385397896 /nfs/dbraw/zinc/39/78/96/385397896.db2.gz AWEQPNQYJIRYKN-QPUJVOFHSA-N 0 1 290.260 2.661 20 30 CFEDMN C[C@H](N[C@@H](C)c1ccc(C#N)c(F)c1)C(=O)NC(C)(C)C ZINC000271933637 385404411 /nfs/dbraw/zinc/40/44/11/385404411.db2.gz JHRVANLTLFGWBH-QWRGUYRKSA-N 0 1 291.370 2.651 20 30 CFEDMN C[C@@H](N[C@@H](C)c1cnn(C)c1)c1ccc(C#N)c(F)c1 ZINC000271941319 385407234 /nfs/dbraw/zinc/40/72/34/385407234.db2.gz LYDGARPSXSHKOJ-MNOVXSKESA-N 0 1 272.327 2.843 20 30 CFEDMN Cc1nn(C)c(C)c1CN[C@H](C)c1ccc(C#N)c(F)c1 ZINC000271972588 385414826 /nfs/dbraw/zinc/41/48/26/385414826.db2.gz UYIPBJUHUYYZCF-SNVBAGLBSA-N 0 1 286.354 2.899 20 30 CFEDMN Cc1cc(C2CCN(C(=O)c3cccc(C#N)c3)CC2)n[nH]1 ZINC000272068445 385440516 /nfs/dbraw/zinc/44/05/16/385440516.db2.gz HLTAZPNXEMKGTD-UHFFFAOYSA-N 0 1 294.358 2.610 20 30 CFEDMN CCOC(=O)[C@@H](C)[C@H](C)NCc1ccc(Cl)cc1C#N ZINC000283213739 385446961 /nfs/dbraw/zinc/44/69/61/385446961.db2.gz SEOZDLBAJIVHTC-QWRGUYRKSA-N 0 1 294.782 2.889 20 30 CFEDMN C=CCCNCc1nnn(-c2ccccc2)c1C1CC1 ZINC000639306401 385434152 /nfs/dbraw/zinc/43/41/52/385434152.db2.gz CNAANLJMIYDGOH-UHFFFAOYSA-N 0 1 268.364 2.810 20 30 CFEDMN C=CCNC(=O)[C@H](C)N[C@H](C)c1ccccc1SC ZINC000283517333 385471820 /nfs/dbraw/zinc/47/18/20/385471820.db2.gz MWBUUXYMXMQJQI-NEPJUHHUSA-N 0 1 278.421 2.750 20 30 CFEDMN C=C(C)[C@H](CC(=O)Nc1c(C)n[nH]c1C(F)F)OCC ZINC000272407278 385530774 /nfs/dbraw/zinc/53/07/74/385530774.db2.gz DXYXRQGPJZSSGN-VIFPVBQESA-N 0 1 287.310 2.966 20 30 CFEDMN C=CCN(CCc1ccco1)Cc1cc(C(N)=O)cs1 ZINC000272662941 385584666 /nfs/dbraw/zinc/58/46/66/385584666.db2.gz RUAQMKXZVIJKJF-UHFFFAOYSA-N 0 1 290.388 2.671 20 30 CFEDMN C=CCN(CCc1ccco1)Cc1c(C)n[nH]c1C ZINC000272691036 385589649 /nfs/dbraw/zinc/58/96/49/385589649.db2.gz XBDLCVBTZKTPBR-UHFFFAOYSA-N 0 1 259.353 2.850 20 30 CFEDMN CN(C)[C@@H](CNc1nc2ccccn2c1C#N)c1ccco1 ZINC000272932925 385658214 /nfs/dbraw/zinc/65/82/14/385658214.db2.gz TTXSELWDYRWZEZ-ZDUSSCGKSA-N 0 1 295.346 2.514 20 30 CFEDMN C=CCCC(=O)N(C)CCCN(C)Cc1ccco1 ZINC000286735247 385698616 /nfs/dbraw/zinc/69/86/16/385698616.db2.gz RTRVWDJAMXLKTQ-UHFFFAOYSA-N 0 1 264.369 2.526 20 30 CFEDMN CCOC1CC(N(C)CC#Cc2ccc(F)cc2)C1 ZINC000286738093 385699675 /nfs/dbraw/zinc/69/96/75/385699675.db2.gz HSBWEJKLSPRKAH-UHFFFAOYSA-N 0 1 261.340 2.677 20 30 CFEDMN C#CCCN1CCN(Cc2ccc(C(F)F)cc2)CC1 ZINC000274187118 385735889 /nfs/dbraw/zinc/73/58/89/385735889.db2.gz PRNXVFOWTPCTKJ-UHFFFAOYSA-N 0 1 278.346 2.765 20 30 CFEDMN N#Cc1ccccc1N1CCC[N@@H+](CCOC2CCC2)CC1 ZINC000287213562 385804231 /nfs/dbraw/zinc/80/42/31/385804231.db2.gz ISIZTYCAXXNXRK-UHFFFAOYSA-N 0 1 299.418 2.639 20 30 CFEDMN C=CCCCCNC(=O)c1cccc(-c2nnc[nH]2)c1 ZINC000274729890 385858241 /nfs/dbraw/zinc/85/82/41/385858241.db2.gz UBDWJBKZXMFLSA-UHFFFAOYSA-N 0 1 270.336 2.558 20 30 CFEDMN C=C(C)[C@@H](NCCN1CCCC1=O)c1ccc(F)c(F)c1 ZINC000274891087 385892700 /nfs/dbraw/zinc/89/27/00/385892700.db2.gz PRDFEJJZXOBINB-MRXNPFEDSA-N 0 1 294.345 2.794 20 30 CFEDMN C=CCOCCCC(=O)Nc1cc2cn[nH]c2cc1C ZINC000276695309 386017724 /nfs/dbraw/zinc/01/77/24/386017724.db2.gz JWMQZTUUCMFEBF-UHFFFAOYSA-N 0 1 273.336 2.793 20 30 CFEDMN C=CCC1(C(=O)N[C@@H](C)c2n[nH]c(C(C)C)n2)CCC1 ZINC000276769146 386038197 /nfs/dbraw/zinc/03/81/97/386038197.db2.gz GYKRMKNLGVJLNF-NSHDSACASA-N 0 1 276.384 2.852 20 30 CFEDMN C[C@@H]1Oc2ccccc2[C@H]1NCc1cc(C#N)n(C)c1 ZINC000288412301 197071569 /nfs/dbraw/zinc/07/15/69/197071569.db2.gz APOXLPRGRCRBDI-ZBEGNZNMSA-N 0 1 267.332 2.509 20 30 CFEDMN C#C[C@H](NC(=O)c1ccc(O)c(Cl)c1)C(C)(C)C ZINC000288273224 197040869 /nfs/dbraw/zinc/04/08/69/197040869.db2.gz PZDDFGHGRJKPFB-LBPRGKRZSA-N 0 1 265.740 2.823 20 30 CFEDMN Cc1cc(C2CCN(C(=O)c3cc(C#N)oc3C)CC2)n[nH]1 ZINC000281298801 195186553 /nfs/dbraw/zinc/18/65/53/195186553.db2.gz NJXRURYSNSQRSY-UHFFFAOYSA-N 0 1 298.346 2.511 20 30 CFEDMN C=CC[C@H](CC)NC(=O)N[C@H](C)c1n[nH]c(C(C)C)n1 ZINC000281297646 195187536 /nfs/dbraw/zinc/18/75/36/195187536.db2.gz JAVNNNAHMUZAIO-MNOVXSKESA-N 0 1 279.388 2.643 20 30 CFEDMN C=CC[C@@H](CO)Nc1ccnc2cc(F)c(OC)cc21 ZINC000281345594 195205932 /nfs/dbraw/zinc/20/59/32/195205932.db2.gz BXYGBXGERBTLNH-JTQLQIEISA-N 0 1 276.311 2.731 20 30 CFEDMN CCC#C[C@H](C)N1CCC[C@](OC)(C(F)(F)F)C1 ZINC000682040547 542508467 /nfs/dbraw/zinc/50/84/67/542508467.db2.gz MAVXFGDKVXYLEO-NWDGAFQWSA-N 0 1 263.303 2.832 20 30 CFEDMN C#CCNC(=O)[C@@H](C)Sc1nc(C)c(-c2ccccc2)[nH]1 ZINC000187137303 260026577 /nfs/dbraw/zinc/02/65/77/260026577.db2.gz AYKLXQLIYAAUOG-GFCCVEGCSA-N 0 1 299.399 2.615 20 30 CFEDMN CCCCCCCC(=O)N1C[C@H]2CCC[C@@H](C1)N2 ZINC000160583615 262285848 /nfs/dbraw/zinc/28/58/48/262285848.db2.gz BKYGTYDIFNXCBN-OKILXGFUSA-N 0 1 252.402 2.700 20 30 CFEDMN CC#CCN1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H](CC)CCCCC ZINC001115273119 781979195 /nfs/dbraw/zinc/97/91/95/781979195.db2.gz FQICQXHPRJEGOR-NCOADZHNSA-N 0 1 290.451 2.663 20 30 CFEDMN C=CCNC(=O)C[N@H+](C)C1CCC(C(C)(C)C)CC1 ZINC000519968981 260035426 /nfs/dbraw/zinc/03/54/26/260035426.db2.gz BJBFGRKDEYIEJN-UHFFFAOYSA-N 0 1 266.429 2.825 20 30 CFEDMN C=CCCN(C)Cc1csc(-c2cnn(C)c2)n1 ZINC000682435036 542554304 /nfs/dbraw/zinc/55/43/04/542554304.db2.gz HZOWAHNXNSZKMZ-UHFFFAOYSA-N 0 1 262.382 2.552 20 30 CFEDMN C[C@H](O)CCN1CCC[C@@H]1[C@H](C#N)c1ccccc1 ZINC000336804963 262395503 /nfs/dbraw/zinc/39/55/03/262395503.db2.gz OPKXMZIVFAJROX-NUEKZKHPSA-N 0 1 258.365 2.529 20 30 CFEDMN Cc1cc(C[N@@H+]2C[C@H](C(=O)[O-])CC[C@H]2C)ccc1C#N ZINC000422637290 533635493 /nfs/dbraw/zinc/63/54/93/533635493.db2.gz QTOIAMPDVGGFQJ-IUODEOHRSA-N 0 1 272.348 2.552 20 30 CFEDMN CCC(CC)[C@@H](C)C(=O)N=c1[nH]n(C(C)C)cc1C#N ZINC000341810443 130071786 /nfs/dbraw/zinc/07/17/86/130071786.db2.gz OEUKAVSBNUOXMO-LLVKDONJSA-N 0 1 276.384 2.768 20 30 CFEDMN C(#Cc1ccccc1)CN1CCC[C@H](n2ccnc2)C1 ZINC000683007385 542626245 /nfs/dbraw/zinc/62/62/45/542626245.db2.gz VOZFCUZQRSNTLS-KRWDZBQOSA-N 0 1 265.360 2.572 20 30 CFEDMN Cc1ccccc1[C@H](CO)NCC#Cc1ccccc1 ZINC000683022439 542630351 /nfs/dbraw/zinc/63/03/51/542630351.db2.gz UWTFAFIIWYCECK-SFHVURJKSA-N 0 1 265.356 2.670 20 30 CFEDMN C=CCN(CCc1ccccc1)C(=O)CCc1cnc[nH]1 ZINC000276422874 542660220 /nfs/dbraw/zinc/66/02/20/542660220.db2.gz JZPGBLWBEDKIHI-UHFFFAOYSA-N 0 1 283.375 2.600 20 30 CFEDMN C=CC[C@@H]1N(C(=O)[C@H](C)N(C)C)CCCC1(C)C ZINC000683517978 542690566 /nfs/dbraw/zinc/69/05/66/542690566.db2.gz ZEUKNNOVYPEPGJ-STQMWFEESA-N 0 1 252.402 2.530 20 30 CFEDMN Cc1oc(NC(=O)CN(C)CC(C)(C)C)c(C#N)c1C ZINC000263726789 131317051 /nfs/dbraw/zinc/31/70/51/131317051.db2.gz BXIHEMHZEFPPBR-UHFFFAOYSA-N 0 1 277.368 2.685 20 30 CFEDMN C#CCNC(=O)CCN[C@H](C)c1cccc(Cl)c1Cl ZINC000268778753 132065258 /nfs/dbraw/zinc/06/52/58/132065258.db2.gz BFTFOBPGJIYIAT-SNVBAGLBSA-N 0 1 299.201 2.784 20 30 CFEDMN C[C@H](NC(=O)c1cccn2c(O)nnc12)C1CCCCC1 ZINC000329531701 393542044 /nfs/dbraw/zinc/54/20/44/393542044.db2.gz WRPCDYIDNOOQAQ-JTQLQIEISA-N 0 1 288.351 2.708 20 30 CFEDMN C[C@@H](NC(=O)c1cccn2c(O)nnc12)C1CCCCC1 ZINC000329531702 393542077 /nfs/dbraw/zinc/54/20/77/393542077.db2.gz WRPCDYIDNOOQAQ-SNVBAGLBSA-N 0 1 288.351 2.708 20 30 CFEDMN N#Cc1cccc(C#N)c1N1CCC(c2ccn[nH]2)CC1 ZINC000302435889 393491938 /nfs/dbraw/zinc/49/19/38/393491938.db2.gz MFJFPUBUBQTOQA-UHFFFAOYSA-N 0 1 277.331 2.537 20 30 CFEDMN COC[C@H]1CCCCN1Cc1cc(C#N)ccc1OC ZINC000307764522 393514962 /nfs/dbraw/zinc/51/49/62/393514962.db2.gz MQUIGFSHPXBLAI-OAHLLOKOSA-N 0 1 274.364 2.568 20 30 CFEDMN CC(C)CCNC(=O)[C@H](C)N[C@H](C)c1ccc(C#N)cc1 ZINC000037502332 393531862 /nfs/dbraw/zinc/53/18/62/393531862.db2.gz QEQDEAFGPJMWJR-KGLIPLIRSA-N 0 1 287.407 2.760 20 30 CFEDMN CC(C)[C@@H]1CCCCN1C([O-])=[NH+][C@H]1CCn2ccnc2C1 ZINC000330278812 393553022 /nfs/dbraw/zinc/55/30/22/393553022.db2.gz QCRDGFZHIXUDCH-KBPBESRZSA-N 0 1 290.411 2.622 20 30 CFEDMN Cc1cc(CN2CCCC[C@H]2c2nnc[nH]2)ccc1C#N ZINC000331914143 393558828 /nfs/dbraw/zinc/55/88/28/393558828.db2.gz JBCPPXYXZAIRFA-HNNXBMFYSA-N 0 1 281.363 2.712 20 30 CFEDMN COc1ccc(NC(=O)c2ccc(C#N)c(O)c2)cc1 ZINC000188208674 393562328 /nfs/dbraw/zinc/56/23/28/393562328.db2.gz WUZRVIJPPZFLDN-UHFFFAOYSA-N 0 1 268.272 2.525 20 30 CFEDMN N#CCc1ccc(NS(=O)(=O)c2ccsc2)cc1 ZINC000334202505 393579638 /nfs/dbraw/zinc/57/96/38/393579638.db2.gz PBKKKKHYJMLHGL-UHFFFAOYSA-N 0 1 278.358 2.615 20 30 CFEDMN C=C(C)C(C)(C)C(=O)N1CCC[C@@H]2C[N@@H+](C)CC[C@H]21 ZINC000335116602 393643849 /nfs/dbraw/zinc/64/38/49/393643849.db2.gz LOFXBQXCLNVOBO-ZIAGYGMSSA-N 0 1 264.413 2.531 20 30 CFEDMN CN(CCCCC#N)Cc1nc2ccccc2n1C ZINC000083242917 393742225 /nfs/dbraw/zinc/74/22/25/393742225.db2.gz DEWYXXWZVYXWTF-UHFFFAOYSA-N 0 1 256.353 2.699 20 30 CFEDMN C=CC[C@@H](Cc1ccccc1)NC(=O)Cc1cc(C)n[nH]1 ZINC000412843320 393774773 /nfs/dbraw/zinc/77/47/73/393774773.db2.gz RYWXRAPJGVQLJR-HNNXBMFYSA-N 0 1 283.375 2.564 20 30 CFEDMN C=CC[C@@H](Cc1ccccc1)NC(=O)c1[nH]nc(C)c1C ZINC000412840497 393775270 /nfs/dbraw/zinc/77/52/70/393775270.db2.gz NJKAFCUFMCPHJC-HNNXBMFYSA-N 0 1 283.375 2.944 20 30 CFEDMN C=CC[C@@H](Cc1ccccc1)NC(=O)NCc1cn[nH]c1C ZINC000413130389 393779328 /nfs/dbraw/zinc/77/93/28/393779328.db2.gz NCIMIKKDGPGVRT-INIZCTEOSA-N 0 1 298.390 2.705 20 30 CFEDMN C=CCOCCN(CC=C)Cc1cccc([N+](=O)[O-])c1 ZINC000338935225 393805368 /nfs/dbraw/zinc/80/53/68/393805368.db2.gz WDQZPAMACCZVHW-UHFFFAOYSA-N 0 1 276.336 2.785 20 30 CFEDMN C=CCOCCN1CC[C@@H](Oc2ccccc2Cl)C1 ZINC000339051265 393814138 /nfs/dbraw/zinc/81/41/38/393814138.db2.gz ZBNVWUGKZKHFAH-CYBMUJFWSA-N 0 1 281.783 2.996 20 30 CFEDMN COCC1(C#N)CCN(Cc2ccc(C)c(OC)c2)CC1 ZINC000342844536 393871931 /nfs/dbraw/zinc/87/19/31/393871931.db2.gz YSOLKKDYMPSCNE-UHFFFAOYSA-N 0 1 288.391 2.756 20 30 CFEDMN N#CC1(CN(CCCO)[C@@H]2CCc3ccccc32)CC1 ZINC000343318578 393883650 /nfs/dbraw/zinc/88/36/50/393883650.db2.gz YHNKXUHEIYLDSZ-MRXNPFEDSA-N 0 1 270.376 2.662 20 30 CFEDMN C=C(C)CN(CC)CC(=O)N([C@@H](C)C1CC1)C1CC1 ZINC000114712578 393901455 /nfs/dbraw/zinc/90/14/55/393901455.db2.gz XENNITKUSBKILJ-ZDUSSCGKSA-N 0 1 264.413 2.674 20 30 CFEDMN C=C(C)CN(CC)CC(=O)N(C)[C@@H](C)CC(C)C ZINC000114712355 393901647 /nfs/dbraw/zinc/90/16/47/393901647.db2.gz UQUCRBJKDKMSSB-AWEZNQCLSA-N 0 1 254.418 2.777 20 30 CFEDMN CC[C@H](C#N)S(=O)(=O)[N-]c1ccccc1[NH2+]C(C)(C)C ZINC000416950358 393946735 /nfs/dbraw/zinc/94/67/35/393946735.db2.gz FEJMPHAHJOJLQN-LLVKDONJSA-N 0 1 295.408 2.941 20 30 CFEDMN CN(Cc1ccc(C#N)cc1Cl)C1(CO)CCC1 ZINC000429246541 393948210 /nfs/dbraw/zinc/94/82/10/393948210.db2.gz SANKCCDGOHJUMF-UHFFFAOYSA-N 0 1 264.756 2.558 20 30 CFEDMN N#CCCCCSc1nc(-c2cccnc2)n[nH]1 ZINC000122473882 393968838 /nfs/dbraw/zinc/96/88/38/393968838.db2.gz WGDLWCCCCGDGGP-UHFFFAOYSA-N 0 1 259.338 2.653 20 30 CFEDMN Fc1ccc(C#CCN2CCC[C@H](c3ncc[nH]3)C2)cc1 ZINC000269616225 394004944 /nfs/dbraw/zinc/00/49/44/394004944.db2.gz GQOYECHYKCDYMS-HNNXBMFYSA-N 0 1 283.350 2.780 20 30 CFEDMN C[C@@H]1CN(Cc2ccc(N(C)CCC#N)cc2)C[C@H](C)O1 ZINC000127024335 394041202 /nfs/dbraw/zinc/04/12/02/394041202.db2.gz LCRFWICCHIHOON-GASCZTMLSA-N 0 1 287.407 2.646 20 30 CFEDMN C#C[C@@H](CC)NCc1c(Cl)cccc1N1CCOCC1 ZINC000491668347 394055749 /nfs/dbraw/zinc/05/57/49/394055749.db2.gz OHPOIHNHBHLKIZ-ZDUSSCGKSA-N 0 1 292.810 2.678 20 30 CFEDMN C[C@@H]1SCC[N@@H+](Cc2ccc(C#N)s2)[C@H]1C ZINC000127804029 394056686 /nfs/dbraw/zinc/05/66/86/394056686.db2.gz RJRIOMXKLSBCGO-UWVGGRQHSA-N 0 1 252.408 2.946 20 30 CFEDMN C[C@@H]1SCCN(Cc2ccc(C#N)s2)[C@H]1C ZINC000127804029 394056690 /nfs/dbraw/zinc/05/66/90/394056690.db2.gz RJRIOMXKLSBCGO-UWVGGRQHSA-N 0 1 252.408 2.946 20 30 CFEDMN C[C@H]1CCC[C@@H](CO)N1Cc1ccc(C#N)cc1Cl ZINC000439444144 394115898 /nfs/dbraw/zinc/11/58/98/394115898.db2.gz AQXKDBHWZHLLOM-FZMZJTMJSA-N 0 1 278.783 2.947 20 30 CFEDMN C=CCN1CC[C@H](N2CCC[C@@H]2c2cccc(F)c2)C1=O ZINC000282046670 394116080 /nfs/dbraw/zinc/11/60/80/394116080.db2.gz RIUGZTWHGCEXNT-CVEARBPZSA-N 0 1 288.366 2.750 20 30 CFEDMN C=CCN(CCC#N)C(=O)c1cc(-c2cccs2)[nH]n1 ZINC000359398758 394132492 /nfs/dbraw/zinc/13/24/92/394132492.db2.gz AKHUEHIOXFYNTM-UHFFFAOYSA-N 0 1 286.360 2.680 20 30 CFEDMN N#CCCCN[C@H](CCO)c1ccccc1Br ZINC000359538966 394138531 /nfs/dbraw/zinc/13/85/31/394138531.db2.gz NYGSXRAUMUMTJE-CYBMUJFWSA-N 0 1 297.196 2.766 20 30 CFEDMN C=CCCN1CCN(C(=O)Cc2ccc(Cl)cc2)CC1 ZINC000132556621 394157068 /nfs/dbraw/zinc/15/70/68/394157068.db2.gz GZJSBVDFBFLOHF-UHFFFAOYSA-N 0 1 292.810 2.603 20 30 CFEDMN N#CC(C(=O)c1cc(Cl)cc2c1OCC2)c1ccncn1 ZINC000361022081 394162929 /nfs/dbraw/zinc/16/29/29/394162929.db2.gz JCSQVMXFVBVEMG-LBPRGKRZSA-N 0 1 299.717 2.555 20 30 CFEDMN C=C[C@@H](C)NCc1cc(C(=O)OC)ccc1Cl ZINC000361009781 394163087 /nfs/dbraw/zinc/16/30/87/394163087.db2.gz ULKXWOLHDVYTGC-SECBINFHSA-N 0 1 253.729 2.791 20 30 CFEDMN CC[C@H]1CN(CCOc2ccccc2C#N)CCS1 ZINC000135429313 394219554 /nfs/dbraw/zinc/21/95/54/394219554.db2.gz RLMKOKKZGZTOFJ-AWEZNQCLSA-N 0 1 276.405 2.764 20 30 CFEDMN CC(C)(C)N1CC[C@](F)(C(=O)N[C@](C)(C#N)C(C)(C)C)C1 ZINC000366036362 394239048 /nfs/dbraw/zinc/23/90/48/394239048.db2.gz BSPMQQZGVLASGV-HZPDHXFCSA-N 0 1 297.418 2.643 20 30 CFEDMN CC(C)COCCN1CCC(C#N)(c2ccccn2)CC1 ZINC000367068057 394250224 /nfs/dbraw/zinc/25/02/24/394250224.db2.gz VJWJKAYPSKRGHG-UHFFFAOYSA-N 0 1 287.407 2.611 20 30 CFEDMN N#CC1(c2ccccn2)CCN(CCc2cccnc2)CC1 ZINC000367057874 394250669 /nfs/dbraw/zinc/25/06/69/394250669.db2.gz NYMJARHQOOVWOT-UHFFFAOYSA-N 0 1 292.386 2.576 20 30 CFEDMN C#CCCN1CCC[C@H]1c1c(C)nn(C)c1Cl ZINC000372256595 394309370 /nfs/dbraw/zinc/30/93/70/394309370.db2.gz UVYKRWXBDMVNQS-NSHDSACASA-N 0 1 251.761 2.542 20 30 CFEDMN COc1ccc(C#N)cc1CN(C)CCc1nccs1 ZINC000157473974 394345825 /nfs/dbraw/zinc/34/58/25/394345825.db2.gz MTKZDXJNSLFOHG-UHFFFAOYSA-N 0 1 287.388 2.698 20 30 CFEDMN N#Cc1cccc(CNC[C@@H](n2cccn2)C(F)(F)F)c1 ZINC000527743239 394403038 /nfs/dbraw/zinc/40/30/38/394403038.db2.gz MQTGMXOQYBUJLH-CYBMUJFWSA-N 0 1 294.280 2.648 20 30 CFEDMN CC[C@H]1CCCN1Cc1cccc(C(=O)OC)c1C#N ZINC000535964915 394551027 /nfs/dbraw/zinc/55/10/27/394551027.db2.gz USZLRCUQFOATKA-ZDUSSCGKSA-N 0 1 272.348 2.719 20 30 CFEDMN C=CCCCS(=O)(=O)Nc1n[nH]c(C(C)C)c1C ZINC000647278882 395267621 /nfs/dbraw/zinc/26/76/21/395267621.db2.gz RICYUXRKQUOWRK-UHFFFAOYSA-N 0 1 271.386 2.549 20 30 CFEDMN C=C[C@H](CC(=O)N1C[C@@H](C)N[C@@H](C)C1)c1ccccc1 ZINC000649272318 395465900 /nfs/dbraw/zinc/46/59/00/395465900.db2.gz UCBBWSIXDREJHB-QLFBSQMISA-N 0 1 272.392 2.555 20 30 CFEDMN C=C(C)CN(Cc1cnn(C(C)C)c1)C[C@H]1CCC[N@H+]1C ZINC000649610722 395538236 /nfs/dbraw/zinc/53/82/36/395538236.db2.gz ZEMFIWDXLHHZOO-QGZVFWFLSA-N 0 1 290.455 2.936 20 30 CFEDMN C=C[C@@H]1OCC[C@H]1NCC(=O)Nc1cccc2ccccc21 ZINC000650029999 395601346 /nfs/dbraw/zinc/60/13/46/395601346.db2.gz ANKISZAOYPIDJC-SJORKVTESA-N 0 1 296.370 2.711 20 30 CFEDMN COc1cccc(C(=O)Nc2nc(-c3ccccn3)n[nH]2)c1 ZINC000047343360 397585131 /nfs/dbraw/zinc/58/51/31/397585131.db2.gz DWAMTCYLJVSAKE-UHFFFAOYSA-N 0 1 295.302 2.512 20 30 CFEDMN C=CCN(CC)[C@@H]1CCCN(Cc2ccccc2)C1=O ZINC000372357311 397536394 /nfs/dbraw/zinc/53/63/94/397536394.db2.gz OKQNVKAOQVNZNU-MRXNPFEDSA-N 0 1 272.392 2.686 20 30 CFEDMN C=C(C)CC[N@H+]1C[C@H](C(=O)[O-])C[C@H](C(F)(F)F)C1 ZINC000656757104 413186167 /nfs/dbraw/zinc/18/61/67/413186167.db2.gz LRGUPUPJDAFEGF-ZJUUUORDSA-N 0 1 265.275 2.538 20 30 CFEDMN CN1CCCC(C)(C)[C@@H]1CNc1nccc(C#N)c1Cl ZINC000343057019 154097914 /nfs/dbraw/zinc/09/79/14/154097914.db2.gz ZZFIADUECGLRQJ-LBPRGKRZSA-N 0 1 292.814 2.561 20 30 CFEDMN Cc1ccnc(NCCc2ccc3cn[nH]c3c2)c1C#N ZINC000343067973 154103357 /nfs/dbraw/zinc/10/33/57/154103357.db2.gz ZIEDINBJKIFFDJ-UHFFFAOYSA-N 0 1 277.331 2.793 20 30 CFEDMN CCOc1cccc(CNCc2cccc(C#N)c2)n1 ZINC000343279343 154166330 /nfs/dbraw/zinc/16/63/30/154166330.db2.gz YCWLYPJECCWZRY-UHFFFAOYSA-N 0 1 267.332 2.642 20 30 CFEDMN Cc1cc(CN2C[C@@H](C)O[C@H](C3CC3)C2)ccc1C#N ZINC000348203948 154360948 /nfs/dbraw/zinc/36/09/48/154360948.db2.gz CRACQJHSQJEARD-DYVFJYSZSA-N 0 1 270.376 2.866 20 30 CFEDMN N#Cc1ccc(CNC[C@H]2OCCc3ccccc32)o1 ZINC000362904728 156110212 /nfs/dbraw/zinc/11/02/12/156110212.db2.gz CRXPDSHTXZYPGN-MRXNPFEDSA-N 0 1 268.316 2.555 20 30 CFEDMN Cc1cnn(C2CCN(Cc3ccccc3C#N)CC2)c1 ZINC000363400044 156176147 /nfs/dbraw/zinc/17/61/47/156176147.db2.gz FZMHWGBDQNSNAD-UHFFFAOYSA-N 0 1 280.375 2.900 20 30 CFEDMN Cc1cc([C@@H]2CCCN(c3cc(C#N)cc(C)n3)C2)[nH]n1 ZINC000367822550 156394466 /nfs/dbraw/zinc/39/44/66/156394466.db2.gz AMQIQCLJAMJZSW-CQSZACIVSA-N 0 1 281.363 2.677 20 30 CFEDMN C=CCCn1cc(CN(C)[C@@H]2CCC[C@@H](C)C2)nn1 ZINC000653496413 413333950 /nfs/dbraw/zinc/33/39/50/413333950.db2.gz PVSKLIKFDSNINY-UKRRQHHQSA-N 0 1 262.401 2.865 20 30 CFEDMN N#Cc1cccc(C[N@H+]2CC[C@@H](OCc3ccncc3)C2)c1 ZINC000373915658 157047987 /nfs/dbraw/zinc/04/79/87/157047987.db2.gz JUJPAJGWLQORNE-GOSISDBHSA-N 0 1 293.370 2.744 20 30 CFEDMN N#Cc1cccc(CN2CC[C@@H](OCc3ccncc3)C2)c1 ZINC000373915658 157047994 /nfs/dbraw/zinc/04/79/94/157047994.db2.gz JUJPAJGWLQORNE-GOSISDBHSA-N 0 1 293.370 2.744 20 30 CFEDMN CC(=O)N1CCC[C@@H]1[C@H]1CCCN1Cc1ccccc1C#N ZINC000375787884 157284876 /nfs/dbraw/zinc/28/48/76/157284876.db2.gz HNQWMQVKLCUXCG-QZTJIDSGSA-N 0 1 297.402 2.534 20 30 CFEDMN Cc1[nH]ncc1C1CCN(C(=O)c2ccc(C#N)cc2)CC1 ZINC000375934642 157306074 /nfs/dbraw/zinc/30/60/74/157306074.db2.gz OIYDIXZGMPMUQG-UHFFFAOYSA-N 0 1 294.358 2.610 20 30 CFEDMN C=CCN1C(=O)N=NC1SC[C@@H](OC)C1CCCCC1 ZINC000657251367 413367315 /nfs/dbraw/zinc/36/73/15/413367315.db2.gz CRMLRTRMZNJPKL-GFCCVEGCSA-N 0 1 297.424 2.857 20 30 CFEDMN C=CCCc1noc([C@H]2CCCN(Cc3cccnc3)C2)n1 ZINC000651357527 413422450 /nfs/dbraw/zinc/42/24/50/413422450.db2.gz GWKFCFAODHTDJK-HNNXBMFYSA-N 0 1 298.390 2.963 20 30 CFEDMN CCN1C[C@@H](C)N(c2ccc(C#N)cc2F)C[C@H]1C ZINC000345174068 162195444 /nfs/dbraw/zinc/19/54/44/162195444.db2.gz MYDVILUMTDIHNX-VXGBXAGGSA-N 0 1 261.344 2.616 20 30 CFEDMN C=CCCn1cc(CN(CC)[C@H]2CCOC(C)(C)C2)nn1 ZINC000653679313 413444239 /nfs/dbraw/zinc/44/42/39/413444239.db2.gz XMMGCKRRFLABNR-HNNXBMFYSA-N 0 1 292.427 2.634 20 30 CFEDMN CCC(CC)(CC(=O)OC)NCc1ccc(F)cc1C#N ZINC000350701149 163099034 /nfs/dbraw/zinc/09/90/34/163099034.db2.gz MOLWWJRYPBMBLO-UHFFFAOYSA-N 0 1 292.354 2.909 20 30 CFEDMN CC(C)C[C@@H]1C[C@H](NCc2nc(C#N)cs2)CCO1 ZINC000352810736 163239568 /nfs/dbraw/zinc/23/95/68/163239568.db2.gz OPQDWOWHKMIBQG-DGCLKSJQSA-N 0 1 279.409 2.698 20 30 CFEDMN N#Cc1csc(CNCC2(C(F)(F)F)CCC2)n1 ZINC000352862568 163255649 /nfs/dbraw/zinc/25/56/49/163255649.db2.gz OTCSPKLBICYXDH-UHFFFAOYSA-N 0 1 275.299 2.837 20 30 CFEDMN N#Cc1ccc2c(c1)[C@H](N[C@H](CO)c1ccccc1)CC2 ZINC000353258639 163331259 /nfs/dbraw/zinc/33/12/59/163331259.db2.gz RIDMDRATRBJQKA-QZTJIDSGSA-N 0 1 278.355 2.869 20 30 CFEDMN Cc1ccncc1CN(C)Cc1cccc(C#N)c1 ZINC000353383611 163355334 /nfs/dbraw/zinc/35/53/34/163355334.db2.gz RPNDMLUKEKBFDQ-UHFFFAOYSA-N 0 1 251.333 2.894 20 30 CFEDMN C=CCCn1cc(CN[C@H]2C[C@H](OC(C)C)C2(C)C)nn1 ZINC000653736164 413471116 /nfs/dbraw/zinc/47/11/16/413471116.db2.gz HBQKNQKQSVQVOI-GJZGRUSLSA-N 0 1 292.427 2.536 20 30 CFEDMN C[C@@H](c1ccc(C#N)cc1)N1CCC(O)(C(F)F)CC1 ZINC000334658145 287130709 /nfs/dbraw/zinc/13/07/09/287130709.db2.gz ZSPZDSRNRJLFFC-NSHDSACASA-N 0 1 280.318 2.711 20 30 CFEDMN C[C@@H](c1ccc(C#N)cc1)N1CCOC2(CCOCC2)C1 ZINC000135629157 287131325 /nfs/dbraw/zinc/13/13/25/287131325.db2.gz DMNHBMXDTKUSST-AWEZNQCLSA-N 0 1 286.375 2.501 20 30 CFEDMN C[C@H](C(=O)Nc1cccc(C#N)c1)N1CCCCCC1 ZINC000007378122 170281403 /nfs/dbraw/zinc/28/14/03/170281403.db2.gz GKBAHTFTLJABNT-CYBMUJFWSA-N 0 1 271.364 2.761 20 30 CFEDMN C[C@H](C(=O)Nc1ccc(C#N)c(Cl)c1)N1CCCC1 ZINC000008142330 170321253 /nfs/dbraw/zinc/32/12/53/170321253.db2.gz AJJVSPZDANWSCY-SNVBAGLBSA-N 0 1 277.755 2.634 20 30 CFEDMN N#Cc1ccccc1CN1CCC[C@@H]1[C@H]1CCCO1 ZINC000284968522 196166926 /nfs/dbraw/zinc/16/69/26/196166926.db2.gz XNCSJSKBVNLUPH-HZPDHXFCSA-N 0 1 256.349 2.702 20 30 CFEDMN C=CCCn1cc(CN2CC[C@H](C3CCCC3)C2)nn1 ZINC000653768518 413490807 /nfs/dbraw/zinc/49/08/07/413490807.db2.gz JYWIFTNECBNSJT-HNNXBMFYSA-N 0 1 274.412 2.866 20 30 CFEDMN C=CCN1CC[C@@H](N[C@H](CC)c2ccccc2F)C1=O ZINC000653791053 413501371 /nfs/dbraw/zinc/50/13/71/413501371.db2.gz BLEIZSQGRAOYGR-HUUCEWRRSA-N 0 1 276.355 2.653 20 30 CFEDMN C=CCCn1cc(CN[C@@H]2C[C@@H]2Cc2ccccc2)nn1 ZINC000657375530 413516645 /nfs/dbraw/zinc/51/66/45/413516645.db2.gz HURUPRAIVWBENF-DOTOQJQBSA-N 0 1 282.391 2.575 20 30 CFEDMN C=CCCn1cc(CN[C@@H]2C[C@@H]2C2CCCCC2)nn1 ZINC000657380414 413525903 /nfs/dbraw/zinc/52/59/03/413525903.db2.gz JJQKRYHWYLTNFI-HZPDHXFCSA-N 0 1 274.412 2.913 20 30 CFEDMN Cc1nn(C)c(C)c1CN[C@@H](C)c1ccc(C#N)cc1 ZINC000035256409 172086922 /nfs/dbraw/zinc/08/69/22/172086922.db2.gz ZEKFULQNWBHQNI-NSHDSACASA-N 0 1 268.364 2.759 20 30 CFEDMN C=CCCn1cc(CNc2ccc3c(c2)nc(C)n3C)nn1 ZINC000657411745 413569118 /nfs/dbraw/zinc/56/91/18/413569118.db2.gz OKLTZWKZUSZXQH-UHFFFAOYSA-N 0 1 296.378 2.661 20 30 CFEDMN Cc1ccc(CN(C)CCOc2ccccc2C#N)o1 ZINC000035699733 172368357 /nfs/dbraw/zinc/36/83/57/172368357.db2.gz KINLRJKGGBDYPT-UHFFFAOYSA-N 0 1 270.332 2.971 20 30 CFEDMN C=CC[C@@H]1CCCC[C@H]1Nc1ncnc2[nH]cnc21 ZINC000664142792 413596230 /nfs/dbraw/zinc/59/62/30/413596230.db2.gz LBNZKFVYPQWBAF-GHMZBOCLSA-N 0 1 257.341 2.900 20 30 CFEDMN CCc1ccc([C@@H](O)CNCc2ccc(C#N)o2)cc1 ZINC000285402720 196273576 /nfs/dbraw/zinc/27/35/76/196273576.db2.gz FHHDWJYBSHRYNV-INIZCTEOSA-N 0 1 270.332 2.537 20 30 CFEDMN C=C1C[C@H]2CC[C@@H](C1)N2C(=O)N[C@@H](C)Cc1cc(C)[nH]n1 ZINC000660930204 413674871 /nfs/dbraw/zinc/67/48/71/413674871.db2.gz KPJQTKFUOCTKIU-TUKIKUTGSA-N 0 1 288.395 2.542 20 30 CFEDMN C=CC[C@@H]1CCCN(C(=O)N[C@@H](C)Cc2cc(C)[nH]n2)C1 ZINC000660929564 413666569 /nfs/dbraw/zinc/66/65/69/413666569.db2.gz GQDHWCLUFCDPAP-GXTWGEPZSA-N 0 1 290.411 2.647 20 30 CFEDMN C=CCC[C@H](N[C@H]1CC(=O)N(C2CC2)C1)c1ccco1 ZINC000285494417 196304119 /nfs/dbraw/zinc/30/41/19/196304119.db2.gz AMYQQNRXASLSNI-JSGCOSHPSA-N 0 1 274.364 2.640 20 30 CFEDMN C=C1C[C@H]2CC[C@@H](C1)N2C(=O)N[C@@H]1CCCc2cn[nH]c21 ZINC000664468559 413790582 /nfs/dbraw/zinc/79/05/82/413790582.db2.gz FCBRTWUBXGPULW-HZSPNIEDSA-N 0 1 286.379 2.680 20 30 CFEDMN C=CCCC(C)(C)NC(=O)N[C@H]1CCCc2cn[nH]c21 ZINC000664468506 413790757 /nfs/dbraw/zinc/79/07/57/413790757.db2.gz DPBCXEYMKUIJPT-LBPRGKRZSA-N 0 1 276.384 2.831 20 30 CFEDMN C=CCOCCC[NH2+]Cc1cccc([O-])c1Cl ZINC000657659462 413827058 /nfs/dbraw/zinc/82/70/58/413827058.db2.gz YDCODRSAXJGHFL-UHFFFAOYSA-N 0 1 255.745 2.728 20 30 CFEDMN C=CCN(Cc1cnn(Cc2ccccc2)c1)[C@H](C)COC ZINC000661241327 413840684 /nfs/dbraw/zinc/84/06/84/413840684.db2.gz VVDDAERWCUQMHO-MRXNPFEDSA-N 0 1 299.418 2.954 20 30 CFEDMN C=CC[C@H]1CCCN(Cc2cn3cccnc3n2)C1 ZINC000661378960 413939480 /nfs/dbraw/zinc/93/94/80/413939480.db2.gz PLIZOIJIYGYHEN-ZDUSSCGKSA-N 0 1 256.353 2.517 20 30 CFEDMN C=C(C)C[N@@H+](C)Cc1nc2cc(C(=O)[O-])ccc2n1CC ZINC000652430547 413943317 /nfs/dbraw/zinc/94/33/17/413943317.db2.gz LOGAIMUFJWRPRM-UHFFFAOYSA-N 0 1 287.363 2.762 20 30 CFEDMN C=C(C)C[N@H+](C)Cc1nc2cc(C(=O)[O-])ccc2n1CC ZINC000652430547 413943321 /nfs/dbraw/zinc/94/33/21/413943321.db2.gz LOGAIMUFJWRPRM-UHFFFAOYSA-N 0 1 287.363 2.762 20 30 CFEDMN C=CCCCCCNC(=O)N(C)[C@@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000654665815 413951641 /nfs/dbraw/zinc/95/16/41/413951641.db2.gz QLCZEQPDABLSRF-HUUCEWRRSA-N 0 1 281.444 2.857 20 30 CFEDMN COc1ccc(CN[C@@H](C)c2cccc(C#N)c2)cn1 ZINC000037236110 173054609 /nfs/dbraw/zinc/05/46/09/173054609.db2.gz QFZKJRABAPNIBU-LBPRGKRZSA-N 0 1 267.332 2.813 20 30 CFEDMN C[C@@H](NCc1cccc(C(N)=O)c1)c1cccc(C#N)c1 ZINC000037270507 173081988 /nfs/dbraw/zinc/08/19/88/173081988.db2.gz DPCBRGYRSSZUCZ-GFCCVEGCSA-N 0 1 279.343 2.508 20 30 CFEDMN COc1cccc(CNCc2ccc(C#N)cc2F)c1 ZINC000037491208 173232667 /nfs/dbraw/zinc/23/26/67/173232667.db2.gz CXNWPCZKHBAAIW-UHFFFAOYSA-N 0 1 270.307 2.996 20 30 CFEDMN C[C@@H](N[C@H](C)c1ccc(C#N)cc1)C(=O)NC(C)(C)C ZINC000037502304 173238918 /nfs/dbraw/zinc/23/89/18/173238918.db2.gz YLLWGXUHGRFDJJ-VXGBXAGGSA-N 0 1 273.380 2.512 20 30 CFEDMN C=C[C@@](C)(CCOC)C(=O)N1CCN(C(C)(C)CC)CC1 ZINC000655271311 414162011 /nfs/dbraw/zinc/16/20/11/414162011.db2.gz XZMZUWQGWQUGNX-KRWDZBQOSA-N 0 1 296.455 2.548 20 30 CFEDMN C=C(C)[C@@H](N[C@@H](C)Cn1cncn1)c1ccc(F)c(F)c1 ZINC000657981956 414088219 /nfs/dbraw/zinc/08/82/19/414088219.db2.gz JGJDSJJBHNCOGN-XHDPSFHLSA-N 0 1 292.333 2.852 20 30 CFEDMN C=CCC1([NH2+]Cc2nc(CC)cc(=O)[n-]2)CCCC1 ZINC000661852533 414257675 /nfs/dbraw/zinc/25/76/75/414257675.db2.gz YAXWYFQEJUEXMM-UHFFFAOYSA-N 0 1 261.369 2.723 20 30 CFEDMN C=C1C[C@H]2CC[C@@H](C1)N2CC(=O)NCc1cccs1 ZINC000662080418 414397825 /nfs/dbraw/zinc/39/78/25/414397825.db2.gz QGNPMKBPHHHJOI-BETUJISGSA-N 0 1 276.405 2.547 20 30 CFEDMN C=C1C[C@H]2CC[C@@H](C1)N2Cc1nnc(C)n1C1CC1 ZINC000662084068 414400341 /nfs/dbraw/zinc/40/03/41/414400341.db2.gz MPVXNLOXUHDCST-OKILXGFUSA-N 0 1 258.369 2.604 20 30 CFEDMN C=C1C[C@H]2CC[C@@H](C1)N2[C@H](C(N)=O)c1ccc(F)cc1 ZINC000662086773 414404345 /nfs/dbraw/zinc/40/43/45/414404345.db2.gz XQPPXHIDGDBFBT-ZNMIVQPWSA-N 0 1 274.339 2.535 20 30 CFEDMN C=CC[C@H]1CCCC[C@@H]1NC(=O)c1cc(C(C)(C)N)no1 ZINC000662842294 414619526 /nfs/dbraw/zinc/61/95/26/414619526.db2.gz MKLOIFNDNXMZGY-RYUDHWBXSA-N 0 1 291.395 2.733 20 30 CFEDMN C=CC[C@@H]1CCCN(C(=O)[C@@H]2Cc3ccccc3CN2)C1 ZINC000662857078 414622347 /nfs/dbraw/zinc/62/23/47/414622347.db2.gz CXENYHOJDUCCKJ-PBHICJAKSA-N 0 1 284.403 2.516 20 30 CFEDMN C=C1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1cc(C(=O)[O-])c(C)o1 ZINC000659801535 414560573 /nfs/dbraw/zinc/56/05/73/414560573.db2.gz GHWMXCMYNAFVKO-TXEJJXNPSA-N 0 1 261.321 2.969 20 30 CFEDMN C=CCCCCCNC(=O)[C@](C)(N)c1ccccc1 ZINC000575136614 335071458 /nfs/dbraw/zinc/07/14/58/335071458.db2.gz DZKNBLGGPZLBRP-MRXNPFEDSA-N 0 1 260.381 2.723 20 30 CFEDMN C=CCN(C[C@@H]1CCCCC1(C)C)[C@@H]1CCS(=O)(=O)C1 ZINC000660069852 414658481 /nfs/dbraw/zinc/65/84/81/414658481.db2.gz MAUKIZKHDASGMD-LSDHHAIUSA-N 0 1 299.480 2.878 20 30 CFEDMN CCCCOCCNCc1ccc(C#N)cc1F ZINC000040507397 174302768 /nfs/dbraw/zinc/30/27/68/174302768.db2.gz PMCIIVWFVZISCZ-UHFFFAOYSA-N 0 1 250.317 2.604 20 30 CFEDMN CCOC1CCN(Cc2ccc(C#N)cc2F)CC1 ZINC000040689410 174376607 /nfs/dbraw/zinc/37/66/07/174376607.db2.gz OAAKMKXBJUQHQK-UHFFFAOYSA-N 0 1 262.328 2.698 20 30 CFEDMN Cc1n[nH]c(CCNC(=O)[C@H](C)OC2CCCCCC2)n1 ZINC000329126362 227314344 /nfs/dbraw/zinc/31/43/44/227314344.db2.gz YMAKUYYHRDFOBR-NSHDSACASA-N 0 1 294.399 2.740 20 30 CFEDMN Cc1cc(C[C@H](C)NC(=O)[C@@H]2CCc3cccnc32)n[nH]1 ZINC000329183291 227343321 /nfs/dbraw/zinc/34/33/21/227343321.db2.gz FNDIMDOOENTRGB-IINYFYTJSA-N 0 1 284.363 2.731 20 30 CFEDMN Cc1cc(C)n([C@H](C)CC(=O)NCCN2CC=CCC2)n1 ZINC000330061410 228030470 /nfs/dbraw/zinc/03/04/70/228030470.db2.gz OFDNSCRTOZSOSS-OAHLLOKOSA-N 0 1 290.411 2.669 20 30 CFEDMN Cc1cccc2nc(CCC(=O)N[C@H]3CCC[C@H]3C#N)[nH]c21 ZINC000331489906 228106823 /nfs/dbraw/zinc/10/68/23/228106823.db2.gz CWDZYYYRLRJZBW-STQMWFEESA-N 0 1 296.374 2.612 20 30 CFEDMN Cc1cccc2nc(CCC(=O)N[C@@H]3CCC[C@@H]3C#N)[nH]c21 ZINC000331489896 228106980 /nfs/dbraw/zinc/10/69/80/228106980.db2.gz CWDZYYYRLRJZBW-CHWSQXEVSA-N 0 1 296.374 2.612 20 30 CFEDMN Cc1cc(C)n([C@H](C)C(=O)N[C@@H]2CCCc3cn[nH]c32)n1 ZINC000330097557 228038609 /nfs/dbraw/zinc/03/86/09/228038609.db2.gz AXBXVQBPQBCSNZ-DGCLKSJQSA-N 0 1 287.367 2.818 20 30 CFEDMN [O-]C(NCCC1CCCCC1)=[NH+][C@H]1CCn2ccnc2C1 ZINC000330180884 228058323 /nfs/dbraw/zinc/05/83/23/228058323.db2.gz NPRVLFFZEPUIDS-AWEZNQCLSA-N 0 1 290.411 2.672 20 30 CFEDMN NC(=O)[C@@H]1CCC[C@H](NC(=O)[C@H]2CCCN2C2CC2)C1 ZINC000330212545 228068071 /nfs/dbraw/zinc/06/80/71/228068071.db2.gz DRGLNFDCLSAKCC-NTZNESFSSA-N 0 1 279.384 2.664 20 30 CFEDMN C[C@](C#N)(NC(=O)CN1CC(C)(C)CC(C)(C)C1)C1CC1 ZINC000331955391 228141352 /nfs/dbraw/zinc/14/13/52/228141352.db2.gz ZDOJGZCEKCHFPZ-QGZVFWFLSA-N 0 1 291.439 2.553 20 30 CFEDMN C=C(C)[C@@H](NCCC(=O)NCC)c1ccc(F)c(F)c1 ZINC000187756185 260054919 /nfs/dbraw/zinc/05/49/19/260054919.db2.gz SPIRILHAHSHLKJ-OAHLLOKOSA-N 0 1 282.334 2.698 20 30 CFEDMN C=C(C)CN(CC)[C@@H](C)C(=O)NCc1ccccc1 ZINC000102669876 260133922 /nfs/dbraw/zinc/13/39/22/260133922.db2.gz VKHALYNPKVQWHM-AWEZNQCLSA-N 0 1 260.381 2.589 20 30 CFEDMN N#CCc1ccc(CN2CCOC[C@@H]2C2CCC2)cc1 ZINC000517560816 260192735 /nfs/dbraw/zinc/19/27/35/260192735.db2.gz ZXNXCDSGKNXCAR-QGZVFWFLSA-N 0 1 270.376 2.754 20 30 CFEDMN N#CCc1ccc(CN2CCOC[C@H]2C2CCC2)cc1 ZINC000517560815 260192979 /nfs/dbraw/zinc/19/29/79/260192979.db2.gz ZXNXCDSGKNXCAR-KRWDZBQOSA-N 0 1 270.376 2.754 20 30 CFEDMN COCCOCC/N=C/c1cc(Cl)cc(Cl)c1O ZINC000067943239 260254211 /nfs/dbraw/zinc/25/42/11/260254211.db2.gz RCVAXROLLRXXJN-OVCLIPMQSA-N 0 1 292.162 2.781 20 30 CFEDMN CC1(C)CCN(CC(=O)N(CCC#N)c2ccccc2)C1 ZINC000076014667 260292530 /nfs/dbraw/zinc/29/25/30/260292530.db2.gz VKKVTJFDZCZSLF-UHFFFAOYSA-N 0 1 285.391 2.665 20 30 CFEDMN C[C@H](CC#N)N(C)C(=O)c1cc(C2CCCCC2)[nH]n1 ZINC000129550212 260839255 /nfs/dbraw/zinc/83/92/55/260839255.db2.gz PJSWWABKCIWYTD-LLVKDONJSA-N 0 1 274.368 2.832 20 30 CFEDMN CC#CCCNCc1csc(-c2ccccn2)n1 ZINC000158358283 260887265 /nfs/dbraw/zinc/88/72/65/260887265.db2.gz HMJKDHKIIGTNTE-UHFFFAOYSA-N 0 1 257.362 2.708 20 30 CFEDMN Cc1csc(C(C#N)C(=O)NC2CCCCC2)n1 ZINC000155396545 261101450 /nfs/dbraw/zinc/10/14/50/261101450.db2.gz MQRWBKTZRSQXKP-LLVKDONJSA-N 0 1 263.366 2.508 20 30 CFEDMN CCOC(=O)CCN(C)CC#Cc1cccc(Cl)c1 ZINC000178938128 261410721 /nfs/dbraw/zinc/41/07/21/261410721.db2.gz SUIVNVPEOQZTPI-UHFFFAOYSA-N 0 1 279.767 2.577 20 30 CFEDMN CNC(=O)[C@@H]1CCCCN1Cc1ccccc1C(C)(C)C#N ZINC000178514867 261747070 /nfs/dbraw/zinc/74/70/70/261747070.db2.gz KFZSAJQWXULOBP-INIZCTEOSA-N 0 1 299.418 2.588 20 30 CFEDMN CC[C@@H](CC#N)NCc1ccc(N(C)CCC#N)cc1 ZINC000184093832 262009019 /nfs/dbraw/zinc/00/90/19/262009019.db2.gz RJDONUWHWHKJDN-HNNXBMFYSA-N 0 1 270.380 2.818 20 30 CFEDMN C=C[C@@H](CC(=O)Nc1nnc(CC)[nH]1)c1ccccc1 ZINC000182247721 262105023 /nfs/dbraw/zinc/10/50/23/262105023.db2.gz LSEJBCQNYHJGPP-NSHDSACASA-N 0 1 270.336 2.666 20 30 CFEDMN C=C[C@@H](CC(=O)Nc1nc(CC)n[nH]1)c1ccccc1 ZINC000182247721 262105024 /nfs/dbraw/zinc/10/50/24/262105024.db2.gz LSEJBCQNYHJGPP-NSHDSACASA-N 0 1 270.336 2.666 20 30 CFEDMN C=C(Cl)CN[C@H]1CCN(C(C)=O)Cc2cc(F)ccc21 ZINC000364253912 262191208 /nfs/dbraw/zinc/19/12/08/262191208.db2.gz MLVRTQZPYUUOBW-HNNXBMFYSA-N 0 1 296.773 2.961 20 30 CFEDMN C=CCNC(=O)[C@H](C)N1CC[C@H](c2csc(C)c2)C1 ZINC000364342984 262211285 /nfs/dbraw/zinc/21/12/85/262211285.db2.gz WHAQJNTXPSLKMA-STQMWFEESA-N 0 1 278.421 2.537 20 30 CFEDMN CCCCCCCS(=O)(=O)Nc1cncc(Cl)n1 ZINC000194810316 262242998 /nfs/dbraw/zinc/24/29/98/262242998.db2.gz KOYRBSQSKFRFKV-UHFFFAOYSA-N 0 1 291.804 2.842 20 30 CFEDMN C=CC1CCN(CC(=O)N(C)C2(C#N)CCCCC2)CC1 ZINC000111256703 262258013 /nfs/dbraw/zinc/25/80/13/262258013.db2.gz PEJARDYLMXKHHM-UHFFFAOYSA-N 0 1 289.423 2.569 20 30 CFEDMN C=C[C@@](C)(CCOC)c1nc([C@@H](N)CC(C)C)no1 ZINC000414613277 263009424 /nfs/dbraw/zinc/00/94/24/263009424.db2.gz FXFILANCFOFRRD-FZMZJTMJSA-N 0 1 267.373 2.596 20 30 CFEDMN N#CCCCNC(=O)Nc1ccc2nc(C(F)F)[nH]c2c1 ZINC000273171711 263013479 /nfs/dbraw/zinc/01/34/79/263013479.db2.gz CWADMZISLJLEGP-UHFFFAOYSA-N 0 1 293.277 2.926 20 30 CFEDMN C[C@H](CCC#N)[N@@H+](C)[C@H]1CCCN(c2ccccc2)C1=O ZINC000276270656 263035639 /nfs/dbraw/zinc/03/56/39/263035639.db2.gz CUYIUYBPLFWJMT-ZBFHGGJFSA-N 0 1 285.391 2.806 20 30 CFEDMN C[C@H](CCC#N)N(C)[C@H]1CCCN(c2ccccc2)C1=O ZINC000276270656 263035640 /nfs/dbraw/zinc/03/56/40/263035640.db2.gz CUYIUYBPLFWJMT-ZBFHGGJFSA-N 0 1 285.391 2.806 20 30 CFEDMN N#C[C@@H]1CCC[C@@H](NCc2cn3ccsc3n2)C1 ZINC000278733224 263050167 /nfs/dbraw/zinc/05/01/67/263050167.db2.gz MYJWDVVUEJDCBL-GHMZBOCLSA-N 0 1 260.366 2.568 20 30 CFEDMN C[N@@H+](Cc1nc(=O)c2sccc2[n-]1)[C@H]1CC[C@@H](C#N)C1 ZINC000278759496 263050699 /nfs/dbraw/zinc/05/06/99/263050699.db2.gz XTDDAXYBMSUVTB-ZJUUUORDSA-N 0 1 288.376 2.521 20 30 CFEDMN CC(C)(C#N)c1ccccc1C[N@H+]1C[C@H](O)C(C)(C)C1 ZINC000279953095 263058546 /nfs/dbraw/zinc/05/85/46/263058546.db2.gz XWFOPJIXHWEVFZ-HNNXBMFYSA-N 0 1 272.392 2.690 20 30 CFEDMN N#CC1CCC(CNC(=O)c2cccc3nc[nH]c32)CC1 ZINC000282263158 263075485 /nfs/dbraw/zinc/07/54/85/263075485.db2.gz KCEQZUYLNYMUET-UHFFFAOYSA-N 0 1 282.347 2.623 20 30 CFEDMN CC(C)CCN(CCC#N)C(=O)c1ccc2cncn2c1 ZINC000283913449 263084727 /nfs/dbraw/zinc/08/47/27/263084727.db2.gz JJAJPFFDFSOTQE-UHFFFAOYSA-N 0 1 284.363 2.736 20 30 CFEDMN N#CC1(CCCN2CCC[C@@H]2c2cc[nH]n2)CCOCC1 ZINC000286197579 263097501 /nfs/dbraw/zinc/09/75/01/263097501.db2.gz PXEJDHMIOSFEOT-OAHLLOKOSA-N 0 1 288.395 2.647 20 30 CFEDMN C=C(C)COc1cccc(NC(=O)c2ncccc2O)c1 ZINC000340296327 263106255 /nfs/dbraw/zinc/10/62/55/263106255.db2.gz SVEVFBUGISDCCD-UHFFFAOYSA-N 0 1 284.315 2.994 20 30 CFEDMN CC[C@@](C)(C#N)c1nc(-c2ccn3cncc3c2)no1 ZINC000289302076 263108919 /nfs/dbraw/zinc/10/89/19/263108919.db2.gz WKOBKKOKCTUQOQ-AWEZNQCLSA-N 0 1 267.292 2.576 20 30 CFEDMN CC(C)(C)[C@H](C#N)NC(=O)c1ccc(O)c(Cl)c1 ZINC000292135726 263128935 /nfs/dbraw/zinc/12/89/35/263128935.db2.gz SYGADFSMDFSWPV-NSHDSACASA-N 0 1 266.728 2.714 20 30 CFEDMN Cc1cc(CN[C@H]2CCC[C@H](C#N)C2)nc(N2CCCC2)n1 ZINC000293253021 263138984 /nfs/dbraw/zinc/13/89/84/263138984.db2.gz BSCWRCFNTXKLFX-GJZGRUSLSA-N 0 1 299.422 2.557 20 30 CFEDMN C[C@]1(F)CCCN(Cc2ccc(OCC#N)cc2)C1 ZINC000295489235 263178229 /nfs/dbraw/zinc/17/82/29/263178229.db2.gz RWBKALXAWVVAHX-HNNXBMFYSA-N 0 1 262.328 2.913 20 30 CFEDMN C=CCOc1ccccc1CNC[C@](C)(O)C(F)(F)F ZINC000340598685 263218783 /nfs/dbraw/zinc/21/87/83/263218783.db2.gz XBMKQTMEXVXVGB-ZDUSSCGKSA-N 0 1 289.297 2.654 20 30 CFEDMN Cc1ccc2nc([C@@H]3CCCN3CCC#N)[nH]c2c1 ZINC000298502015 263220706 /nfs/dbraw/zinc/22/07/06/263220706.db2.gz KCTVQHIBDLWHQR-AWEZNQCLSA-N 0 1 254.337 2.922 20 30 CFEDMN C[C@H](CCC#N)[N@@H+](C)CCc1cccc([N+](=O)[O-])c1 ZINC000298497425 263220825 /nfs/dbraw/zinc/22/08/25/263220825.db2.gz JXMSJKMOKBVFOP-GFCCVEGCSA-N 0 1 261.325 2.761 20 30 CFEDMN C[C@H](CCC#N)N[C@@H](c1cnn(C)c1)c1ccc(F)cc1 ZINC000299266858 263236913 /nfs/dbraw/zinc/23/69/13/263236913.db2.gz KPLAJSWRBGFAJU-MLGOLLRUSA-N 0 1 286.354 2.930 20 30 CFEDMN C=CCNC(=O)[C@@H](C)N[C@H](C)c1cccc(OC(C)C)c1 ZINC000120253890 263284032 /nfs/dbraw/zinc/28/40/32/263284032.db2.gz MUWZXBZFMBPXLL-ZIAGYGMSSA-N 0 1 290.407 2.815 20 30 CFEDMN CCC[C@H]1CCC[N@@H+](CC(=O)N[C@@](C)(C#N)C(C)C)C1 ZINC000120849524 263286813 /nfs/dbraw/zinc/28/68/13/263286813.db2.gz CYXJDRCRJWGIIZ-HOCLYGCPSA-N 0 1 279.428 2.553 20 30 CFEDMN CCC[C@H]1CCCN(CC(=O)N[C@@](C)(C#N)C(C)C)C1 ZINC000120849524 263286815 /nfs/dbraw/zinc/28/68/15/263286815.db2.gz CYXJDRCRJWGIIZ-HOCLYGCPSA-N 0 1 279.428 2.553 20 30 CFEDMN CC#CCN(C)C(=O)c1cc(-c2ccc(C)cc2C)[nH]n1 ZINC000341060323 263320730 /nfs/dbraw/zinc/32/07/30/263320730.db2.gz YYKKWRRTFNBKSS-UHFFFAOYSA-N 0 1 281.359 2.789 20 30 CFEDMN C=CCN(CC=C)C(=O)CN1CCC=C(c2ccccc2)C1 ZINC000341995214 263373506 /nfs/dbraw/zinc/37/35/06/263373506.db2.gz SUXNDHQYGYMIIR-UHFFFAOYSA-N 0 1 296.414 2.976 20 30 CFEDMN COCC1(C#N)CCN(CCOc2cccc(C)c2)CC1 ZINC000342001174 263375062 /nfs/dbraw/zinc/37/50/62/263375062.db2.gz ZENIERDHWSMEJZ-UHFFFAOYSA-N 0 1 288.391 2.626 20 30 CFEDMN COCC1(C#N)CCN([C@H](C)c2ccc(C#N)cc2)CC1 ZINC000342016870 263378975 /nfs/dbraw/zinc/37/89/75/263378975.db2.gz MNOPILMKBAENBS-CQSZACIVSA-N 0 1 283.375 2.871 20 30 CFEDMN CCCC[NH+]1CCC(NC(=O)c2ncc(C)cc2[O-])CC1 ZINC000330878730 264060781 /nfs/dbraw/zinc/06/07/81/264060781.db2.gz LRKCYLXHLJFLOU-UHFFFAOYSA-N 0 1 291.395 2.665 20 30 CFEDMN Cc1cnc(C(=O)NC[C@H]2CCC[N@@H+](C(C)C)C2)c([O-])c1 ZINC000330888481 264064380 /nfs/dbraw/zinc/06/43/80/264064380.db2.gz UJENZURHSGCRNV-CYBMUJFWSA-N 0 1 291.395 2.521 20 30 CFEDMN Cc1cnc(C(=O)NC[C@H]2CCC[N@H+](C(C)C)C2)c([O-])c1 ZINC000330888481 264064381 /nfs/dbraw/zinc/06/43/81/264064381.db2.gz UJENZURHSGCRNV-CYBMUJFWSA-N 0 1 291.395 2.521 20 30 CFEDMN CCN(CC(C)C)C(=O)N[C@H]1CCCc2cn[nH]c21 ZINC000331141133 264136619 /nfs/dbraw/zinc/13/66/19/264136619.db2.gz RDYZXVRWFZJRCL-LBPRGKRZSA-N 0 1 264.373 2.679 20 30 CFEDMN C=CC1CCN(Cc2cc(C)c(C(=O)OC)o2)CC1 ZINC000171953527 335086612 /nfs/dbraw/zinc/08/66/12/335086612.db2.gz UCFZATSEEUXGPD-UHFFFAOYSA-N 0 1 263.337 2.773 20 30 CFEDMN C=C(C)CN(Cc1ccc(CO)o1)C[C@@H](OC)C1CC1 ZINC000425460488 264332700 /nfs/dbraw/zinc/33/27/00/264332700.db2.gz SDOBSTDPCDCPGQ-MRXNPFEDSA-N 0 1 279.380 2.575 20 30 CFEDMN COc1cccc(CNCc2cc(C#N)cs2)c1 ZINC000093492156 265181403 /nfs/dbraw/zinc/18/14/03/265181403.db2.gz SVHUXEXHZRCUIY-UHFFFAOYSA-N 0 1 258.346 2.918 20 30 CFEDMN C[C@@H](C#N)NC(=O)c1cc(Cl)c2ccccc2c1O ZINC000094062289 265213404 /nfs/dbraw/zinc/21/34/04/265213404.db2.gz TVXAAMJMIKDYFI-QMMMGPOBSA-N 0 1 274.707 2.841 20 30 CFEDMN N#CC1(CN2CC[C@H](COc3ccccc3)C2)CC1 ZINC000356367752 266102802 /nfs/dbraw/zinc/10/28/02/266102802.db2.gz CKVVCUNSOAVRAA-AWEZNQCLSA-N 0 1 256.349 2.691 20 30 CFEDMN N#CC1(CN2CC[C@@H](COc3ccccc3)C2)CC1 ZINC000356367765 266102985 /nfs/dbraw/zinc/10/29/85/266102985.db2.gz CKVVCUNSOAVRAA-CQSZACIVSA-N 0 1 256.349 2.691 20 30 CFEDMN CC1(C#N)CCN(CCOc2ccccc2F)CC1 ZINC000356429475 266112112 /nfs/dbraw/zinc/11/21/12/266112112.db2.gz DDTCHUREKWICCX-UHFFFAOYSA-N 0 1 262.328 2.830 20 30 CFEDMN CC1(C#N)CCN(CCOc2cccc(F)c2)CC1 ZINC000356465468 266119495 /nfs/dbraw/zinc/11/94/95/266119495.db2.gz YAQGDGQFBCUBLA-UHFFFAOYSA-N 0 1 262.328 2.830 20 30 CFEDMN C=C[C@H](CC(=O)N1CCN(C)[C@@H](C)[C@H]1C)c1ccccc1 ZINC000356877967 266202324 /nfs/dbraw/zinc/20/23/24/266202324.db2.gz MVUGUOAFRRWWPG-ARFHVFGLSA-N 0 1 286.419 2.897 20 30 CFEDMN C=CCOCc1nc(-c2cc3nc[nH]c3c(C)c2)no1 ZINC000356954749 266216900 /nfs/dbraw/zinc/21/69/00/266216900.db2.gz XNRTVWAFCLDEAE-UHFFFAOYSA-N 0 1 270.292 2.624 20 30 CFEDMN Cn1ccnc1[C@H](NCCCCC#N)c1cccc(F)c1 ZINC000357020679 266233970 /nfs/dbraw/zinc/23/39/70/266233970.db2.gz CXWUDGRXIPWYIC-OAHLLOKOSA-N 0 1 286.354 2.932 20 30 CFEDMN CCOC[C@@H]1CCCCN1Cc1cc(C#N)ccc1OC ZINC000313483684 266283870 /nfs/dbraw/zinc/28/38/70/266283870.db2.gz LNQRVLPHJPGIAR-INIZCTEOSA-N 0 1 288.391 2.958 20 30 CFEDMN C=CCSc1ccccc1C(=O)N[C@@H](C)c1nnc[nH]1 ZINC000362412154 266982899 /nfs/dbraw/zinc/98/28/99/266982899.db2.gz RTWZZQYYXKYIHP-JTQLQIEISA-N 0 1 288.376 2.574 20 30 CFEDMN C=C(C)[C@@H]1OCC[C@@H]1C(=O)Nc1ccc2nc(C)[nH]c2c1 ZINC000362533493 267003152 /nfs/dbraw/zinc/00/31/52/267003152.db2.gz MQJMYLNZTANCBW-WFASDCNBSA-N 0 1 285.347 2.791 20 30 CFEDMN C=C(C)[C@H]1OCC[C@H]1C(=O)Nc1ccc2nc(C)[nH]c2c1 ZINC000362533491 267003473 /nfs/dbraw/zinc/00/34/73/267003473.db2.gz MQJMYLNZTANCBW-IUODEOHRSA-N 0 1 285.347 2.791 20 30 CFEDMN CC(C)(O)CCN1CCC[C@@H]1[C@@H](C#N)c1ccccc1 ZINC000362860208 267054970 /nfs/dbraw/zinc/05/49/70/267054970.db2.gz RNZADUZMJPVWPV-JKSUJKDBSA-N 0 1 272.392 2.919 20 30 CFEDMN C[C@@H]1CN(c2ncccc2C#N)CCN1Cc1ccccc1 ZINC000396379411 267065140 /nfs/dbraw/zinc/06/51/40/267065140.db2.gz HPQRZFNFDVNWCA-OAHLLOKOSA-N 0 1 292.386 2.664 20 30 CFEDMN C=CC[N@@H+](Cc1cc(-c2cccnc2)n[nH]1)C1CC1 ZINC000368281607 267158970 /nfs/dbraw/zinc/15/89/70/267158970.db2.gz FXVGESUBFMZJTR-UHFFFAOYSA-N 0 1 254.337 2.622 20 30 CFEDMN C=CCN(Cc1cc(-c2cccnc2)n[nH]1)C1CC1 ZINC000368281607 267158971 /nfs/dbraw/zinc/15/89/71/267158971.db2.gz FXVGESUBFMZJTR-UHFFFAOYSA-N 0 1 254.337 2.622 20 30 CFEDMN C=CCCCNC(=O)N1CCC(c2cn[nH]c2C)CC1 ZINC000368501688 267179021 /nfs/dbraw/zinc/17/90/21/267179021.db2.gz CIKKGBPPBKLPFI-UHFFFAOYSA-N 0 1 276.384 2.573 20 30 CFEDMN C[C@H]1CN(c2ccc(C#N)nc2)CCN1Cc1ccccc1 ZINC000396414006 267239472 /nfs/dbraw/zinc/23/94/72/267239472.db2.gz OLMZPGSWIWWNOM-HNNXBMFYSA-N 0 1 292.386 2.664 20 30 CFEDMN CC(C)n1ccc(C[C@H](C)NCC2(C#N)CCC2)n1 ZINC000418142308 267363321 /nfs/dbraw/zinc/36/33/21/267363321.db2.gz MSMNLKHRKNSIBQ-ZDUSSCGKSA-N 0 1 260.385 2.678 20 30 CFEDMN Cc1c(NC(=O)CC(C)(C)C#N)[nH]nc1-c1ccncc1 ZINC000376668593 268008252 /nfs/dbraw/zinc/00/82/52/268008252.db2.gz ZYJOGJDQZSUVAP-UHFFFAOYSA-N 0 1 283.335 2.659 20 30 CFEDMN N#Cc1ccc(C(=O)Nc2cc(F)c(F)c(F)c2)cc1O ZINC000188701998 268046684 /nfs/dbraw/zinc/04/66/84/268046684.db2.gz QINAGEUADWRKBJ-UHFFFAOYSA-N 0 1 292.216 2.933 20 30 CFEDMN CC(C)CN1CCN(c2ccc(C#N)cc2Cl)CC1 ZINC000062793848 273513444 /nfs/dbraw/zinc/51/34/44/273513444.db2.gz FOGMMECJVQOMDI-UHFFFAOYSA-N 0 1 277.799 2.990 20 30 CFEDMN CCN1CCN(c2c(C#N)cnc3c(C)cc(F)cc32)CC1 ZINC000266096929 273665850 /nfs/dbraw/zinc/66/58/50/273665850.db2.gz PCIOSIXPLVXPDO-UHFFFAOYSA-N 0 1 298.365 2.696 20 30 CFEDMN CO[C@H]1CCN(CC#Cc2ccccc2)CC1(C)C ZINC000295881044 274080000 /nfs/dbraw/zinc/08/00/00/274080000.db2.gz GEAABNXNFIVNNO-INIZCTEOSA-N 0 1 257.377 2.785 20 30 CFEDMN COc1ccc2c(c1)[C@@H](NCc1cc(C#N)n(C)c1)CCO2 ZINC000276649677 274132640 /nfs/dbraw/zinc/13/26/40/274132640.db2.gz SZYCZYJTZHOBQZ-INIZCTEOSA-N 0 1 297.358 2.519 20 30 CFEDMN Cc1ccc2ncc(C#N)c(N3CCN(C4CC4)CC3)c2c1 ZINC000488075639 274785613 /nfs/dbraw/zinc/78/56/13/274785613.db2.gz CTSPDCUWIDTKMD-UHFFFAOYSA-N 0 1 292.386 2.699 20 30 CFEDMN N#Cc1ccc2c(c1)[C@H](N[C@H](CO)c1ccsc1)CC2 ZINC000353597575 274926984 /nfs/dbraw/zinc/92/69/84/274926984.db2.gz PVXONEURIDTNNN-HZPDHXFCSA-N 0 1 284.384 2.930 20 30 CFEDMN CN1CCC[C@@H]1C(=O)N[C@@H]1CCC(=O)N[C@H]1C(C)(C)C ZINC000329265238 277055059 /nfs/dbraw/zinc/05/50/59/277055059.db2.gz HAJDWKLPJKSDRE-NQBHXWOUSA-N 0 1 281.400 2.571 20 30 CFEDMN CN1CC[C@H](NCC2(C#N)CC2)[C@@H]1c1ccc(Cl)cc1 ZINC000352082948 277170283 /nfs/dbraw/zinc/17/02/83/277170283.db2.gz KNMAMFGWOVUTEQ-GJZGRUSLSA-N 0 1 289.810 2.979 20 30 CFEDMN CC(C)CN(Cc1ccc(C#N)cc1)C(=O)[C@H]1CCCN1C ZINC000356984850 277381109 /nfs/dbraw/zinc/38/11/09/277381109.db2.gz IBQYDPNBQIQDFL-QGZVFWFLSA-N 0 1 299.418 2.637 20 30 CFEDMN C[C@@H](NCC(=O)Nc1ccccc1F)c1ccc(C#N)cc1 ZINC000119327071 278338877 /nfs/dbraw/zinc/33/88/77/278338877.db2.gz PUBSAKOBZJMAKF-GFCCVEGCSA-N 0 1 297.333 2.987 20 30 CFEDMN CC(C)C[C@@H]1CCCN([C@H](C(N)=O)c2ccc(C#N)cc2)C1 ZINC000119348259 279024241 /nfs/dbraw/zinc/02/42/41/279024241.db2.gz FDZCIPFSTWHTJN-RDJZCZTQSA-N 0 1 299.418 2.843 20 30 CFEDMN C[C@H](N[C@@H](C)c1ccc(C#N)cc1)C(=O)N1CCCCCC1 ZINC000127552104 279498406 /nfs/dbraw/zinc/49/84/06/279498406.db2.gz NNVRAULYDIUJSQ-GJZGRUSLSA-N 0 1 299.418 3.000 20 30 CFEDMN N#Cc1ccccc1S(=O)(=O)Nc1ccc2cc[nH]c2c1 ZINC000074842571 280506833 /nfs/dbraw/zinc/50/68/33/280506833.db2.gz HALZVBDIIJYPNO-UHFFFAOYSA-N 0 1 297.339 2.840 20 30 CFEDMN CCN(C[C@@H](C)C#N)C(=O)CN1CCC(C(C)(C)C)CC1 ZINC000172032759 335090199 /nfs/dbraw/zinc/09/01/99/335090199.db2.gz PTHAVNQRONGSBT-AWEZNQCLSA-N 0 1 293.455 2.753 20 30 CFEDMN COc1cc(/C=C\c2ccc(C#N)cn2)cc([N+](=O)[O-])c1O ZINC000255864664 281108614 /nfs/dbraw/zinc/10/86/14/281108614.db2.gz HVHUBGNGAUFARY-RQOWECAXSA-N 0 1 297.270 2.746 20 30 CFEDMN Cc1ccc2ncc(C#N)c(N3C[C@@H](C)N(C)[C@@H](C)C3)c2c1 ZINC000338796337 281164801 /nfs/dbraw/zinc/16/48/01/281164801.db2.gz RUGUHWOABQCSOB-OKILXGFUSA-N 0 1 294.402 2.944 20 30 CFEDMN CCCCNC(=O)[C@@H](C)N[C@@H](C)c1ccc(C#N)cc1 ZINC000037502337 289822779 /nfs/dbraw/zinc/82/27/79/289822779.db2.gz VHGZGHKXVZJHCK-QWHCGFSZSA-N 0 1 273.380 2.514 20 30 CFEDMN C[C@H](N[C@H]1c2ccccc2C[C@@H]1O)c1ccc(C#N)cc1 ZINC000271845596 290062248 /nfs/dbraw/zinc/06/22/48/290062248.db2.gz HPJBUHHMUFZSAC-IGNZVWTISA-N 0 1 278.355 2.867 20 30 CFEDMN N#Cc1ccc(CN[C@H](CCCO)c2ccccc2)nc1 ZINC000566415633 290381334 /nfs/dbraw/zinc/38/13/34/290381334.db2.gz HMZFYFGTBNXACM-QGZVFWFLSA-N 0 1 281.359 2.557 20 30 CFEDMN N#Cc1ccc2c(c1)[C@@H](NCc1cnc3n1CCCC3)CC2 ZINC000567285430 290452598 /nfs/dbraw/zinc/45/25/98/290452598.db2.gz WTRSHIVVOSKXPQ-KRWDZBQOSA-N 0 1 292.386 2.868 20 30 CFEDMN N#CCCCC[NH+]1CCC(C(=O)c2ccc([O-])cc2)CC1 ZINC000102396821 327671752 /nfs/dbraw/zinc/67/17/52/327671752.db2.gz MJZPGLPAFDGHCP-UHFFFAOYSA-N 0 1 286.375 2.981 20 30 CFEDMN CN(C[C@@H]1CCN(C(=O)c2ccccc2)C1)CC(C)(C)C#N ZINC000339250573 328003535 /nfs/dbraw/zinc/00/35/35/328003535.db2.gz XSDOXRMZCPYXPO-HNNXBMFYSA-N 0 1 299.418 2.630 20 30 CFEDMN N#CCC[C@H](C#N)CNCCc1ccc2[nH]ccc2c1 ZINC000563591673 328075368 /nfs/dbraw/zinc/07/53/68/328075368.db2.gz SLYQJUDRZSKEBN-CQSZACIVSA-N 0 1 266.348 2.744 20 30 CFEDMN CCN(CCC#N)Cc1cnc(-c2ccccc2)[nH]1 ZINC000271043193 328194654 /nfs/dbraw/zinc/19/46/54/328194654.db2.gz OGMCBFSKGNKCGY-UHFFFAOYSA-N 0 1 254.337 2.812 20 30 CFEDMN C=C(C)CN(C)[C@H](C)C(=O)N(C)Cc1ccccc1 ZINC000181312009 329231243 /nfs/dbraw/zinc/23/12/43/329231243.db2.gz ICVOPBRWPKGLKZ-CQSZACIVSA-N 0 1 260.381 2.541 20 30 CFEDMN CCN(C[C@@H](C)C#N)C(=O)CN1CC=C(C(C)(C)C)CC1 ZINC000340192110 328246098 /nfs/dbraw/zinc/24/60/98/328246098.db2.gz XKFKMDBBANYDGC-AWEZNQCLSA-N 0 1 291.439 2.673 20 30 CFEDMN CCN(C[C@H](C)C#N)C(=O)CN1CC=C(C(C)(C)C)CC1 ZINC000340192116 328246102 /nfs/dbraw/zinc/24/61/02/328246102.db2.gz XKFKMDBBANYDGC-CQSZACIVSA-N 0 1 291.439 2.673 20 30 CFEDMN FCCCCO/N=C/c1ccc(N2CCOCC2)cc1 ZINC000285258237 328247521 /nfs/dbraw/zinc/24/75/21/328247521.db2.gz SFDXWMDDFRPPOB-GHRIWEEISA-N 0 1 280.343 2.623 20 30 CFEDMN COc1ccc2c(c1)CN([C@@H]1CC[C@@H](C#N)C1)CC2 ZINC000293563189 328276859 /nfs/dbraw/zinc/27/68/59/328276859.db2.gz SEAPHZRNLSHRPY-IUODEOHRSA-N 0 1 256.349 2.746 20 30 CFEDMN C=CC1CCN(CC(=O)NCCCc2ccccc2)CC1 ZINC000111260479 328341163 /nfs/dbraw/zinc/34/11/63/328341163.db2.gz ZDRPBDQMKWRVLR-UHFFFAOYSA-N 0 1 286.419 2.633 20 30 CFEDMN CC[C@@H](NCc1ccc(C#N)cn1)c1c(C)nn(C)c1C ZINC000571307600 322578861 /nfs/dbraw/zinc/57/88/61/322578861.db2.gz JGBKATAKRWBIBR-OAHLLOKOSA-N 0 1 283.379 2.545 20 30 CFEDMN C#CCN(C(=O)c1cc(C(C)C)[nH]n1)C1CCCCC1 ZINC000049429728 328361094 /nfs/dbraw/zinc/36/10/94/328361094.db2.gz UKGBOVIMUDLQMU-UHFFFAOYSA-N 0 1 273.380 2.941 20 30 CFEDMN C=CCCC[N@H+](C)Cc1cc(=O)oc2cc(O)ccc12 ZINC000121148175 328365082 /nfs/dbraw/zinc/36/50/82/328365082.db2.gz XDEOOKLEBNSYGV-UHFFFAOYSA-N 0 1 273.332 2.897 20 30 CFEDMN C=CCCC[N@@H+](C)Cc1cc(=O)oc2cc([O-])ccc12 ZINC000121148175 328365083 /nfs/dbraw/zinc/36/50/83/328365083.db2.gz XDEOOKLEBNSYGV-UHFFFAOYSA-N 0 1 273.332 2.897 20 30 CFEDMN C=CCCC[N@H+](C)Cc1cc(=O)oc2cc([O-])ccc12 ZINC000121148175 328365084 /nfs/dbraw/zinc/36/50/84/328365084.db2.gz XDEOOKLEBNSYGV-UHFFFAOYSA-N 0 1 273.332 2.897 20 30 CFEDMN CCOc1ncccc1CN[C@H]1CCC[C@@H](C#N)C1 ZINC000185711750 329330452 /nfs/dbraw/zinc/33/04/52/329330452.db2.gz RKMLBLQRXGUCAS-OCCSQVGLSA-N 0 1 259.353 2.652 20 30 CFEDMN CC(=Cc1ccc(F)c(C)c1)c1nc(C)c(C#N)c(=O)[nH]1 ZINC000193608140 324074069 /nfs/dbraw/zinc/07/40/69/324074069.db2.gz UKDAJKWAMZPPPD-YFHOEESVSA-N 0 1 283.306 2.958 20 30 CFEDMN CC(=Cc1cccc(F)c1)c1nc(C)c(C#N)c(=O)[nH]1 ZINC000193611592 324074183 /nfs/dbraw/zinc/07/41/83/324074183.db2.gz YAYARDGCMVJCPL-TWGQIWQCSA-N 0 1 269.279 2.650 20 30 CFEDMN Cc1ccc2nc(NC(=O)c3ncc(C#N)cc3C)[nH]c2c1 ZINC000582020273 325170058 /nfs/dbraw/zinc/17/00/58/325170058.db2.gz ATDBEFMZDPYGNQ-UHFFFAOYSA-N 0 1 291.314 2.699 20 30 CFEDMN N#CCC1CCN(Cc2ccc(C#N)cc2F)CC1 ZINC000334748597 327016101 /nfs/dbraw/zinc/01/61/01/327016101.db2.gz UJFDBTNRLJCHPB-UHFFFAOYSA-N 0 1 257.312 2.823 20 30 CFEDMN N#CCC[C@H](C#N)CN[C@@H]1[C@H]2CCc3ccccc3[C@@H]12 ZINC000564444217 327074730 /nfs/dbraw/zinc/07/47/30/327074730.db2.gz QPHUGCJNRZUFCR-VJUNAUMWSA-N 0 1 265.360 2.748 20 30 CFEDMN C=CC[N@H+](Cc1ccc(Cl)s1)[C@H](C)C(=O)[O-] ZINC000261589669 327089369 /nfs/dbraw/zinc/08/93/69/327089369.db2.gz UBRYSVBYNAXWBZ-MRVPVSSYSA-N 0 1 259.758 2.863 20 30 CFEDMN C=CC[N@@H+](Cc1ccc(Cl)s1)[C@H](C)C(=O)[O-] ZINC000261589669 327089371 /nfs/dbraw/zinc/08/93/71/327089371.db2.gz UBRYSVBYNAXWBZ-MRVPVSSYSA-N 0 1 259.758 2.863 20 30 CFEDMN C=CCCOCCN[C@@H](C)c1nc2ccccc2n1C ZINC000091406746 327102590 /nfs/dbraw/zinc/10/25/90/327102590.db2.gz TYFSSDSQJXXLHA-ZDUSSCGKSA-N 0 1 273.380 2.817 20 30 CFEDMN COC(=O)[C@H](C)C/N=C/c1cc(Cl)cc(Cl)c1O ZINC000101799808 327222782 /nfs/dbraw/zinc/22/27/82/327222782.db2.gz RSJAWRHOZUZDAJ-LHGJSEJASA-N 0 1 290.146 2.927 20 30 CFEDMN N#CCC[C@@H](C#N)CN1CC[C@@H](c2ccccc2)C1 ZINC000112560016 327286506 /nfs/dbraw/zinc/28/65/06/327286506.db2.gz KMVKQLGGTHXNLS-GOEBONIOSA-N 0 1 253.349 2.919 20 30 CFEDMN CC[C@H](CC#N)NC[C@@H](O)COc1c(C)ccc(C)c1C ZINC000566628862 327426158 /nfs/dbraw/zinc/42/61/58/327426158.db2.gz UVTNBQFSYJKTPR-HZPDHXFCSA-N 0 1 290.407 2.633 20 30 CFEDMN CCc1ccccc1NC(=O)C[C@H](C)NCC1(C#N)CC1 ZINC000562384526 327477353 /nfs/dbraw/zinc/47/73/53/327477353.db2.gz SESFRLCIASENEJ-ZDUSSCGKSA-N 0 1 285.391 2.859 20 30 CFEDMN C=CCCCCN1CCN(C(=O)c2cccc(F)c2)CC1 ZINC000582221967 328726829 /nfs/dbraw/zinc/72/68/29/328726829.db2.gz CLNGKIWBFIFTCL-UHFFFAOYSA-N 0 1 290.382 2.940 20 30 CFEDMN C=CCC[C@@H](CO)NCc1csc(C(C)(C)C)n1 ZINC000320927739 328838759 /nfs/dbraw/zinc/83/87/59/328838759.db2.gz DKUJMWBYYFLDQG-NSHDSACASA-N 0 1 268.426 2.857 20 30 CFEDMN C=CCCCCCN(C)C(=O)N[C@@H]1CCc2nc[nH]c2C1 ZINC000378067980 329038511 /nfs/dbraw/zinc/03/85/11/329038511.db2.gz JUXNAPROOWYOGS-CYBMUJFWSA-N 0 1 290.411 2.655 20 30 CFEDMN N#CC1(CNCCC(=O)Nc2ccc(Cl)cc2)CCC1 ZINC000582482088 329095766 /nfs/dbraw/zinc/09/57/66/329095766.db2.gz TXRLUSUXSMCHLW-UHFFFAOYSA-N 0 1 291.782 2.952 20 30 CFEDMN C[C@H](O)[C@H](N[C@@H]1CC[C@H](C#N)C1)c1ccccc1F ZINC000582489389 329097314 /nfs/dbraw/zinc/09/73/14/329097314.db2.gz AWMONSJLAOEJDX-OHTBPHCPSA-N 0 1 262.328 2.529 20 30 CFEDMN C=C(C)CN(C)[C@H](C)C(=O)N[C@H](C)c1ccc(F)cc1 ZINC000181283515 329229734 /nfs/dbraw/zinc/22/97/34/329229734.db2.gz IHSGWESMFOGQNM-CHWSQXEVSA-N 0 1 278.371 2.899 20 30 CFEDMN C=C(C)CN(C)[C@@H](C)C(=O)NCCC1=CCCCC1 ZINC000181288549 329230033 /nfs/dbraw/zinc/23/00/33/329230033.db2.gz AUQIDGYCFGUUMZ-AWEZNQCLSA-N 0 1 264.413 2.890 20 30 CFEDMN C=C(C)CN(C)[C@@H](C)C(=O)N[C@@H](C)c1ccccc1OC ZINC000181309304 329230897 /nfs/dbraw/zinc/23/08/97/329230897.db2.gz WXJNGUPGJSWPKJ-KBPBESRZSA-N 0 1 290.407 2.769 20 30 CFEDMN C=C(C)CN(C)[C@H]1CCCN(c2ccc(C#N)cc2)C1=O ZINC000183117126 329244986 /nfs/dbraw/zinc/24/49/86/329244986.db2.gz VVRIJXMKEARWGL-INIZCTEOSA-N 0 1 283.375 2.562 20 30 CFEDMN C=C(C)CN(C)C(=O)c1cc(-c2cccs2)[nH]n1 ZINC000183044852 329246480 /nfs/dbraw/zinc/24/64/80/329246480.db2.gz AVKFGITZEVBNAN-UHFFFAOYSA-N 0 1 261.350 2.786 20 30 CFEDMN CC(F)(F)CCN1CCC(C#N)(c2ccccn2)CC1 ZINC000583005789 329300989 /nfs/dbraw/zinc/30/09/89/329300989.db2.gz VMNQYGVLMKAUFU-UHFFFAOYSA-N 0 1 279.334 2.984 20 30 CFEDMN C=CC[C@@H](CC)Nc1nc(C(F)(F)F)nc2[nH]cnc21 ZINC000583058002 329308587 /nfs/dbraw/zinc/30/85/87/329308587.db2.gz WLDHTFFJYGBDHW-SSDOTTSWSA-N 0 1 285.273 2.560 20 30 CFEDMN CC1(CO)CCN(CC#Cc2ccc(Cl)cc2)CC1 ZINC000186936501 329350593 /nfs/dbraw/zinc/35/05/93/329350593.db2.gz SDPZWPSNVUREDT-UHFFFAOYSA-N 0 1 277.795 2.786 20 30 CFEDMN C=CC(C)(C)CN[C@H](C)c1ncc(C(=O)OC)s1 ZINC000314809952 329541125 /nfs/dbraw/zinc/54/11/25/329541125.db2.gz OQWFAYWPGJGVLO-SECBINFHSA-N 0 1 268.382 2.793 20 30 CFEDMN N#CCc1ccc(CNCc2cc(C(F)(F)F)n[nH]2)cc1 ZINC000567109955 329668376 /nfs/dbraw/zinc/66/83/76/329668376.db2.gz JLFRSEYJEKGVPJ-UHFFFAOYSA-N 0 1 294.280 2.784 20 30 CFEDMN C=CCN(C(=O)c1cccc(Br)c1O)C1CC1 ZINC000536820289 329968399 /nfs/dbraw/zinc/96/83/99/329968399.db2.gz IHPBIAMROAZIIZ-UHFFFAOYSA-N 0 1 296.164 2.945 20 30 CFEDMN C[C@@H]1C[C@@]1(C#N)C(=O)Nc1cccc2c1OCC[C@@H]2N(C)C ZINC000572454374 330106273 /nfs/dbraw/zinc/10/62/73/330106273.db2.gz ZCTCTGHSYKLZDJ-WHCBVINPSA-N 0 1 299.374 2.560 20 30 CFEDMN CC(C)Oc1ccc([C@@H](CNCCC#N)N(C)C)cc1 ZINC000580436853 330137180 /nfs/dbraw/zinc/13/71/80/330137180.db2.gz XGUPDBFOQRDVFR-MRXNPFEDSA-N 0 1 275.396 2.580 20 30 CFEDMN C=CCOc1ccc(C[N@@H+]2C[C@H](C(=O)[O-])C[C@H](C)C2)cc1 ZINC000422639515 330150604 /nfs/dbraw/zinc/15/06/04/330150604.db2.gz WWRUAPORYRDVGB-DZGCQCFKSA-N 0 1 289.375 2.794 20 30 CFEDMN N#CC1(c2ccccc2)CCC(NCC(F)(F)CN)CC1 ZINC000423347618 330192533 /nfs/dbraw/zinc/19/25/33/330192533.db2.gz QWFFCNYNUIPKSP-UHFFFAOYSA-N 0 1 293.361 2.574 20 30 CFEDMN C=C[C@@H]1OCC[C@H]1CN[C@@H](c1ncc[nH]1)c1ccccc1 ZINC000424298465 330336587 /nfs/dbraw/zinc/33/65/87/330336587.db2.gz SJZOKGSNBDLYHK-HRCADAONSA-N 0 1 283.375 2.680 20 30 CFEDMN C=CCC1(c2nc(C3(N)CCCCC3)no2)CCOCC1 ZINC000424345983 330344696 /nfs/dbraw/zinc/34/46/96/330344696.db2.gz HRGYUPJUMMJRGJ-UHFFFAOYSA-N 0 1 291.395 2.812 20 30 CFEDMN C=C[C@H](CO)N[C@H](C)c1ccc(OC)cc1Cl ZINC000424350370 330345378 /nfs/dbraw/zinc/34/53/78/330345378.db2.gz OHVYSDXHXVJLTR-NXEZZACHSA-N 0 1 255.745 2.546 20 30 CFEDMN C=CCOc1cccc(C[N@@H+]2CCC[C@@H](C)[C@H]2C(=O)[O-])c1 ZINC000424411450 330350464 /nfs/dbraw/zinc/35/04/64/330350464.db2.gz BCXGRHPMSNFYHK-CJNGLKHVSA-N 0 1 289.375 2.937 20 30 CFEDMN C=CCN(C)[C@H](C)C(=O)N[C@@H](C)c1ccc(CC)cc1 ZINC000121302197 330399461 /nfs/dbraw/zinc/39/94/61/330399461.db2.gz LSQQMOARNBVPDJ-UONOGXRCSA-N 0 1 274.408 2.933 20 30 CFEDMN C=C(CC)CNCc1cc(OC)c(OC)cc1F ZINC000514729930 330463831 /nfs/dbraw/zinc/46/38/31/330463831.db2.gz PATRAELIIDSSAO-UHFFFAOYSA-N 0 1 253.317 2.899 20 30 CFEDMN C=CCOc1ccccc1C[NH2+]Cc1cc(C(=O)[O-])co1 ZINC000426716386 330514236 /nfs/dbraw/zinc/51/42/36/330514236.db2.gz VOUMWSDRCAOZON-UHFFFAOYSA-N 0 1 287.315 2.832 20 30 CFEDMN Cc1cccc(C)c1NC(=O)CN[C@H]1CC[C@H](C#N)C1 ZINC000442634017 330777635 /nfs/dbraw/zinc/77/76/35/330777635.db2.gz LTDIRVAHAIPGJO-KBPBESRZSA-N 0 1 271.364 2.524 20 30 CFEDMN N#C[C@H]1CC[C@H](Nc2ccc(CCN3CCOCC3)cc2)C1 ZINC000442877649 330789907 /nfs/dbraw/zinc/78/99/07/330789907.db2.gz XFVCTMWNQQYUMR-WMZOPIPTSA-N 0 1 299.418 2.665 20 30 CFEDMN C=C[C@@H]1OCC[C@H]1NCc1ccccc1Br ZINC000449523279 330933829 /nfs/dbraw/zinc/93/38/29/330933829.db2.gz XFUWVIHIXZNOSA-OLZOCXBDSA-N 0 1 282.181 2.882 20 30 CFEDMN C=CCN(CCOC)Cc1ccccc1OC1CC1 ZINC000450836606 331001969 /nfs/dbraw/zinc/00/19/69/331001969.db2.gz KFYQGYUHAAVPNP-UHFFFAOYSA-N 0 1 261.365 2.862 20 30 CFEDMN C=CCC1(C(=O)N2CCN(C)[C@H](C(C)C)C2)CCCC1 ZINC000451167039 331018404 /nfs/dbraw/zinc/01/84/04/331018404.db2.gz VMQSWNDSKUDJCC-HNNXBMFYSA-N 0 1 278.440 2.922 20 30 CFEDMN C=CC(C)(C)C(=O)N=c1cc(-c2ccc(C)o2)[nH][nH]1 ZINC000451227922 331021134 /nfs/dbraw/zinc/02/11/34/331021134.db2.gz MFTFOGQCKRITKS-UHFFFAOYSA-N 0 1 259.309 2.551 20 30 CFEDMN C=C[C@@H]1OCC[C@H]1NCc1nc2cc(F)ccc2n1CC ZINC000451604579 331036163 /nfs/dbraw/zinc/03/61/63/331036163.db2.gz BEAHYQSVZMOZFD-DOMZBBRYSA-N 0 1 289.354 2.628 20 30 CFEDMN C=CCNC(=O)CN1CCC[C@H]1c1ccc(F)cc1C ZINC000451972380 331049121 /nfs/dbraw/zinc/04/91/21/331049121.db2.gz OELSPKWTVINGHB-HNNXBMFYSA-N 0 1 276.355 2.573 20 30 CFEDMN C=C(C)CCNC(=O)CCc1nc2cccc(C)c2[nH]1 ZINC000452717029 331073014 /nfs/dbraw/zinc/07/30/14/331073014.db2.gz KJTMVBJVAACVBG-UHFFFAOYSA-N 0 1 271.364 2.886 20 30 CFEDMN C=CC(C)(C)CNC(=O)[C@@H]1CCC[N@H+]1C1CCCC1 ZINC000452773620 331075986 /nfs/dbraw/zinc/07/59/86/331075986.db2.gz JBSRWMFAAZQQFV-AWEZNQCLSA-N 0 1 264.413 2.722 20 30 CFEDMN C=CC(C)(C)CNC(=O)[C@H]1CCC[N@H+]1C1CCCC1 ZINC000452773621 331076046 /nfs/dbraw/zinc/07/60/46/331076046.db2.gz JBSRWMFAAZQQFV-CQSZACIVSA-N 0 1 264.413 2.722 20 30 CFEDMN C=CCC1(NC(=O)CN(CC)C2CC2)CCCCC1 ZINC000456373298 331191596 /nfs/dbraw/zinc/19/15/96/331191596.db2.gz VKJQVRGGTYYCCU-UHFFFAOYSA-N 0 1 264.413 2.866 20 30 CFEDMN C=C(C)C[C@H](C)C(=O)N1CCN(CC)C[C@@H]1CC ZINC000456386999 331191929 /nfs/dbraw/zinc/19/19/29/331191929.db2.gz SDJWDOVEUIFHLH-KBPBESRZSA-N 0 1 252.402 2.531 20 30 CFEDMN C=C(C)CCNC(=O)NC[C@H](c1cccc(F)c1)N(C)C ZINC000457462412 331223784 /nfs/dbraw/zinc/22/37/84/331223784.db2.gz AONJCAAKQPEGOZ-OAHLLOKOSA-N 0 1 293.386 2.694 20 30 CFEDMN CCN(C)[C@H](C(=O)NCC(C)(C)CC#N)c1ccccc1 ZINC000457984279 331238657 /nfs/dbraw/zinc/23/86/57/331238657.db2.gz CKULQHASATYHNV-HNNXBMFYSA-N 0 1 287.407 2.735 20 30 CFEDMN C=CCC(C)(C)CNC(=O)NCc1ccc2cncn2c1 ZINC000458812015 331260925 /nfs/dbraw/zinc/26/09/25/331260925.db2.gz PQVPUMHLNLPAHR-UHFFFAOYSA-N 0 1 286.379 2.736 20 30 CFEDMN C=CC(C)(C)CNC(=O)N[C@@H](C)c1n[nH]c([C@@H](C)CC)n1 ZINC000458987178 331264183 /nfs/dbraw/zinc/26/41/83/331264183.db2.gz LLRPYEHXJMOWJO-QWRGUYRKSA-N 0 1 293.415 2.891 20 30 CFEDMN CCC(CC)CN(CCC#N)CCc1cncn1C ZINC000459363926 331278336 /nfs/dbraw/zinc/27/83/36/331278336.db2.gz SCLGXLQPGVUMFG-UHFFFAOYSA-N 0 1 262.401 2.614 20 30 CFEDMN N#CC1(F)CCN([C@@H]2CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000459460696 331282693 /nfs/dbraw/zinc/28/26/93/331282693.db2.gz JDTSKRMDVVFOAG-MRXNPFEDSA-N 0 1 287.382 2.589 20 30 CFEDMN C=CCC[C@H](O)CN[C@@H](C)c1nc2c(s1)CCC2 ZINC000459642794 331291802 /nfs/dbraw/zinc/29/18/02/331291802.db2.gz ZTLAFJQFUNOTLB-QWRGUYRKSA-N 0 1 266.410 2.610 20 30 CFEDMN CC#CCCN1C[C@@H](C2CCCCC2)C[C@@H]1C(=O)OC ZINC000462317152 331319123 /nfs/dbraw/zinc/31/91/23/331319123.db2.gz PNBMSTRKMHMVPA-JKSUJKDBSA-N 0 1 277.408 2.844 20 30 CFEDMN C=CCCOCCCCC(=O)N1CC[N@@H+](C)[C@@H](C(C)C)C1 ZINC000489318067 332046792 /nfs/dbraw/zinc/04/67/92/332046792.db2.gz APGUEDLWUUHMHH-MRXNPFEDSA-N 0 1 296.455 2.548 20 30 CFEDMN C=CCCOCCCCC(=O)N1CCN(C)[C@@H](C(C)C)C1 ZINC000489318067 332046794 /nfs/dbraw/zinc/04/67/94/332046794.db2.gz APGUEDLWUUHMHH-MRXNPFEDSA-N 0 1 296.455 2.548 20 30 CFEDMN C=C[C@@H]1CCCCN1CC(=O)NCc1cccc(C)c1 ZINC000489394421 332050046 /nfs/dbraw/zinc/05/00/46/332050046.db2.gz BSBFABJJMNVKME-MRXNPFEDSA-N 0 1 272.392 2.652 20 30 CFEDMN C=C[C@H]1CCCCN1CC(=O)N(CC(C)C)C(C)C ZINC000489489822 332055906 /nfs/dbraw/zinc/05/59/06/332055906.db2.gz MSMCNLGWSDTPFJ-HNNXBMFYSA-N 0 1 266.429 2.920 20 30 CFEDMN C=C[C@@H]1CCCCN1CC(=O)N[C@@H](C)c1ccccc1 ZINC000489502596 332056940 /nfs/dbraw/zinc/05/69/40/332056940.db2.gz YYAMWTLYIIMZPZ-GOEBONIOSA-N 0 1 272.392 2.904 20 30 CFEDMN C#CCn1ccc(CN(CCOC)C[C@@H](C)CC(C)C)n1 ZINC000490803431 332116906 /nfs/dbraw/zinc/11/69/06/332116906.db2.gz MTTQHUAIWRFNAO-INIZCTEOSA-N 0 1 291.439 2.647 20 30 CFEDMN C#CCNC(=O)[C@H](C)N1CC2(CCCC2)[C@@H]1c1ccccc1 ZINC000491266831 332177627 /nfs/dbraw/zinc/17/76/27/332177627.db2.gz QUGIJDPPNHTNHU-RDJZCZTQSA-N 0 1 296.414 2.742 20 30 CFEDMN C#C[C@@H](NC(=O)c1cccc2nc[nH]c21)c1ccc(F)cc1 ZINC000491316845 332189139 /nfs/dbraw/zinc/18/91/39/332189139.db2.gz YBSOMGIBXDEDNW-CQSZACIVSA-N 0 1 293.301 2.806 20 30 CFEDMN C#C[C@H](CCC)NC(=O)[C@H]1CCc2[nH]c(C(C)C)nc2C1 ZINC000491361340 332197022 /nfs/dbraw/zinc/19/70/22/332197022.db2.gz KUHWODZESOSVRL-QWHCGFSZSA-N 0 1 287.407 2.556 20 30 CFEDMN C#CCN(Cc1ccc(OCc2noc(C)n2)cc1)C1CC1 ZINC000491453697 332214834 /nfs/dbraw/zinc/21/48/34/332214834.db2.gz SSRIIAKGCAGGGJ-UHFFFAOYSA-N 0 1 297.358 2.555 20 30 CFEDMN C#CCn1ccc(CN(CC)C2CC(OC(C)(C)C)C2)n1 ZINC000491485050 332220060 /nfs/dbraw/zinc/22/00/60/332220060.db2.gz MRGRBTLFHSLZPI-UHFFFAOYSA-N 0 1 289.423 2.684 20 30 CFEDMN C#C[C@H](C)N(C)Cc1ccc(OCC=C)c(OC)c1 ZINC000491623245 332247872 /nfs/dbraw/zinc/24/78/72/332247872.db2.gz HTPMGSNHOWZZKK-ZDUSSCGKSA-N 0 1 259.349 2.714 20 30 CFEDMN C#C[C@H](NCc1ccc(-c2cc[nH]n2)o1)C(C)(C)C ZINC000491673342 332279673 /nfs/dbraw/zinc/27/96/73/332279673.db2.gz UMTAVASMBIRUOK-AWEZNQCLSA-N 0 1 257.337 2.807 20 30 CFEDMN C#C[C@@H](C)N(C)C(=O)c1cc(-c2ccc(C)cc2C)[nH]n1 ZINC000491741943 332320659 /nfs/dbraw/zinc/32/06/59/332320659.db2.gz SBNVKUKSKCGDAI-CYBMUJFWSA-N 0 1 281.359 2.787 20 30 CFEDMN C#C[C@@H](C)N(C)C(=O)c1cc(-c2ccc(C)c(C)c2)[nH]n1 ZINC000491804523 332358397 /nfs/dbraw/zinc/35/83/97/332358397.db2.gz MLRPUPPXCFLAFF-CYBMUJFWSA-N 0 1 281.359 2.787 20 30 CFEDMN C=CCNC(=O)CN1CCC[C@H](c2ccc(CC)cc2)C1 ZINC000513406315 333017696 /nfs/dbraw/zinc/01/76/96/333017696.db2.gz PLMLAFMCPLVRDM-KRWDZBQOSA-N 0 1 286.419 2.731 20 30 CFEDMN C=CC[C@H]1N(C(=O)[C@H](C)N2CC(C)C2)CCCC1(C)C ZINC000516936248 333086967 /nfs/dbraw/zinc/08/69/67/333086967.db2.gz CBFGMNDRDLWJJG-LSDHHAIUSA-N 0 1 278.440 2.920 20 30 CFEDMN COc1cc(CCNC[C@H](C#N)CCC#N)ccc1C ZINC000517633479 333104586 /nfs/dbraw/zinc/10/45/86/333104586.db2.gz HURXKHRNCLRAOI-HNNXBMFYSA-N 0 1 271.364 2.579 20 30 CFEDMN C[C@H](NC1CC(C#N)(c2ccccc2)C1)c1cn[nH]c1 ZINC000219206054 333144271 /nfs/dbraw/zinc/14/42/71/333144271.db2.gz CSYMGGXQRDBYEI-JQRITLKVSA-N 0 1 266.348 2.684 20 30 CFEDMN C=CCCCCCN1CC[N@@H+](CC(C)(C)O)[C@H](C)C1 ZINC000193572105 333253327 /nfs/dbraw/zinc/25/33/27/333253327.db2.gz JVSPXPCJWGHLNI-OAHLLOKOSA-N 0 1 268.445 2.510 20 30 CFEDMN C#C[C@H](CC)NCc1cc(OC)c(OC)cc1SC ZINC000229896576 333311278 /nfs/dbraw/zinc/31/12/78/333311278.db2.gz ILWJIKUYZJRTIM-GFCCVEGCSA-N 0 1 279.405 2.927 20 30 CFEDMN C[C@@H](CC1CCCCC1)C(=O)NC1(C#N)CCN(C)CC1 ZINC000524409299 333361602 /nfs/dbraw/zinc/36/16/02/333361602.db2.gz WPWAHDTUOFRUDO-AWEZNQCLSA-N 0 1 291.439 2.697 20 30 CFEDMN C=C(C)CN(CC)C(=O)CN(C)[C@H]1C[C@H](OCC)C1(C)C ZINC000524621192 333369095 /nfs/dbraw/zinc/36/90/95/333369095.db2.gz YGSFFIYMMJFXTK-GJZGRUSLSA-N 0 1 296.455 2.546 20 30 CFEDMN C=CCCCCC[N@@H+]1CCSC[C@H]1CC(=O)[O-] ZINC000236435639 333373669 /nfs/dbraw/zinc/37/36/69/333373669.db2.gz DAMUFWFTKGOVEW-GFCCVEGCSA-N 0 1 257.399 2.625 20 30 CFEDMN C[C@H](C(=O)N1C[C@H](C)C[C@H](C)C1)N1CCC(CC#N)CC1 ZINC000541019577 333759303 /nfs/dbraw/zinc/75/93/03/333759303.db2.gz JNMFGCUSSHTRPJ-QLFBSQMISA-N 0 1 291.439 2.505 20 30 CFEDMN Cc1nn(-c2ccncc2)cc1CN(CC#N)C1CCCC1 ZINC000542464972 333825481 /nfs/dbraw/zinc/82/54/81/333825481.db2.gz OWRDBFHGUAIPOH-UHFFFAOYSA-N 0 1 295.390 2.844 20 30 CFEDMN CCN(C(=O)CN1CCC(CC#N)CC1)C1CCCCC1 ZINC000542883273 333847879 /nfs/dbraw/zinc/84/78/79/333847879.db2.gz OTZKEGOYKSFXSK-UHFFFAOYSA-N 0 1 291.439 2.793 20 30 CFEDMN CCOc1cccc(CN2CCC(CC#N)CC2)n1 ZINC000543778895 333898179 /nfs/dbraw/zinc/89/81/79/333898179.db2.gz BJUMVLHYKDPNPU-UHFFFAOYSA-N 0 1 259.353 2.606 20 30 CFEDMN C=C(CC)C[N@@H+](CC(=O)[O-])Cc1ccc(F)c(F)c1 ZINC000576166575 335163529 /nfs/dbraw/zinc/16/35/29/335163529.db2.gz UHADDGOIPSRDFQ-UHFFFAOYSA-N 0 1 269.291 2.818 20 30 CFEDMN CC[C@H](CC#N)NC[C@H](O)COc1cccc2ccccc21 ZINC000564341507 334140700 /nfs/dbraw/zinc/14/07/00/334140700.db2.gz CHVLZMMUHBFTIV-CVEARBPZSA-N 0 1 298.386 2.861 20 30 CFEDMN N#CCC[C@H](C#N)CNCCc1ccc2ccccc2n1 ZINC000548788271 334173918 /nfs/dbraw/zinc/17/39/18/334173918.db2.gz BKLKMSZQQMLCGQ-CQSZACIVSA-N 0 1 278.359 2.810 20 30 CFEDMN N#C[C@@H]1CC[C@@H](N2CCC[C@H](OCC(F)(F)F)C2)C1 ZINC000549844433 334206621 /nfs/dbraw/zinc/20/66/21/334206621.db2.gz UPGUNNVWAZHCSH-UTUOFQBUSA-N 0 1 276.302 2.722 20 30 CFEDMN C=CCOCCN1C[C@@H](C2CCCCC2)C[C@H]1C(=O)OC ZINC000549860999 334207124 /nfs/dbraw/zinc/20/71/24/334207124.db2.gz VQWRPXTUGRGLOF-HOTGVXAUSA-N 0 1 295.423 2.633 20 30 CFEDMN CC#CCN(C)Cc1ccc(I)cc1 ZINC000550140603 334214266 /nfs/dbraw/zinc/21/42/66/334214266.db2.gz FZLBNLBAGROVRS-UHFFFAOYSA-N 0 1 299.155 2.746 20 30 CFEDMN C[C@H](CC#N)N(C)CCCCC[N@H+](C)[C@H](C)CC#N ZINC000247775395 334290310 /nfs/dbraw/zinc/29/03/10/334290310.db2.gz WRXYCIWAHHCFBD-HUUCEWRRSA-N 0 1 264.417 2.625 20 30 CFEDMN COC[C@H](N[C@@H]1CCC[C@@H](C#N)C1)c1ccc(C)o1 ZINC000249034794 334325421 /nfs/dbraw/zinc/32/54/21/334325421.db2.gz SEVYWNXIKLIEKO-MCIONIFRSA-N 0 1 262.353 2.948 20 30 CFEDMN CC1CC(C#N)(C(=O)Nc2ccc(F)c(F)c2O)C1 ZINC000565465483 334565665 /nfs/dbraw/zinc/56/56/65/334565665.db2.gz BOUWZXIWVFZOHE-UHFFFAOYSA-N 0 1 266.247 2.549 20 30 CFEDMN N#CCc1ccc(CNCc2cccc3c2OCCO3)cc1 ZINC000567853885 334768691 /nfs/dbraw/zinc/76/86/91/334768691.db2.gz RXDQBJGIXFTONW-UHFFFAOYSA-N 0 1 294.354 2.814 20 30 CFEDMN CC[C@H](CC#N)NCCN1CCCc2ccccc21 ZINC000568180760 334801347 /nfs/dbraw/zinc/80/13/47/334801347.db2.gz BGYQVRMJVYEOSD-OAHLLOKOSA-N 0 1 257.381 2.721 20 30 CFEDMN CCn1c2ccccc2nc1CN[C@@H]1CC[C@H](C#N)C1 ZINC000576815277 335250642 /nfs/dbraw/zinc/25/06/42/335250642.db2.gz RRWOIJXIYAPYNP-QWHCGFSZSA-N 0 1 268.364 2.838 20 30 CFEDMN C[C@@H](N[C@@H]1CC[C@H](C#N)C1)c1cn2ccccc2n1 ZINC000577413512 335350439 /nfs/dbraw/zinc/35/04/39/335350439.db2.gz XIWKNKVBOGZAMW-FRRDWIJNSA-N 0 1 254.337 2.677 20 30 CFEDMN N#CC1(CNC(=O)c2c(O)cc(Cl)cc2Cl)CC1 ZINC000581229280 336028170 /nfs/dbraw/zinc/02/81/70/336028170.db2.gz BCVIUAQKZPFLKI-UHFFFAOYSA-N 0 1 285.130 2.733 20 30 CFEDMN C=CCn1c(C(C)C)n[n-]c1=[NH+]c1cccc(OC)c1 ZINC000581278917 336035929 /nfs/dbraw/zinc/03/59/29/336035929.db2.gz DPDKEKPRGMTGDH-UHFFFAOYSA-N 0 1 272.352 2.762 20 30 CFEDMN CC(C)(CC#N)CNc1nc(C(F)(F)F)nc2[nH]cnc21 ZINC000581653924 336118055 /nfs/dbraw/zinc/11/80/55/336118055.db2.gz DILOICZSKGQJCB-UHFFFAOYSA-N 0 1 298.272 2.675 20 30 CFEDMN C=C(C)CN1CC[C@@H]1CN(C)C(=O)C1=CCCCCC1 ZINC001085564971 782099357 /nfs/dbraw/zinc/09/93/57/782099357.db2.gz ZLCMTRZKIZBYRJ-MRXNPFEDSA-N 0 1 276.424 2.986 20 30 CFEDMN C=CCCN1CC[C@@H]1CN(C)C(=O)c1conc1C(C)C ZINC001085636111 782121381 /nfs/dbraw/zinc/12/13/81/782121381.db2.gz IJDBVQPPPSMNBF-CYBMUJFWSA-N 0 1 291.395 2.520 20 30 CFEDMN C#CCCN1CC[C@H]1CN(C)C(=O)c1cscc1Cl ZINC001085658117 782125242 /nfs/dbraw/zinc/12/52/42/782125242.db2.gz JMNHZIZWRKQRQW-NSHDSACASA-N 0 1 296.823 2.571 20 30 CFEDMN C=CCN1CC[C@H]1CN(C)C(=O)c1c[nH]c2ccccc21 ZINC001085703519 782135967 /nfs/dbraw/zinc/13/59/67/782135967.db2.gz RZWRHONIALHTTA-ZDUSSCGKSA-N 0 1 283.375 2.500 20 30 CFEDMN C=C(C)CN1CC[C@H]1CN(C)C(=O)[C@@H]1CCC1(C)C ZINC001085775190 782155183 /nfs/dbraw/zinc/15/51/83/782155183.db2.gz ROXSMRJIGOTWEB-KBPBESRZSA-N 0 1 264.413 2.531 20 30 CFEDMN C=C(C)CN1CC[C@@H]1CN(C)C(=O)[C@@H]1CCCC1(C)C ZINC001085773726 782157026 /nfs/dbraw/zinc/15/70/26/782157026.db2.gz LEYRHEOOVBOQHL-CABCVRRESA-N 0 1 278.440 2.922 20 30 CFEDMN C[C@H]1CC[C@H](C)N1CC(=O)Nc1c[nH]nc1-c1ccccn1 ZINC000329155926 533741793 /nfs/dbraw/zinc/74/17/93/533741793.db2.gz BUUCWYKBHRDVJF-RYUDHWBXSA-N 0 1 299.378 2.933 20 30 CFEDMN C[C@H](NCC(=O)NC1(C#N)CCC1)c1ccc(Cl)cc1 ZINC000347054047 533817710 /nfs/dbraw/zinc/81/77/10/533817710.db2.gz MILKZWUEQUJXIT-NSHDSACASA-N 0 1 291.782 2.553 20 30 CFEDMN C[C@@H]1CCC[C@H](CNC([O-])=[NH+][C@@H]2CCc3c[nH]nc3C2)C1 ZINC000329804540 533833397 /nfs/dbraw/zinc/83/33/97/533833397.db2.gz MCRFYTWKROZKMK-MBNYWOFBSA-N 0 1 290.411 2.597 20 30 CFEDMN COC(=O)c1ccc(Cl)c(CNCC2(CC#N)CC2)c1 ZINC000430771379 534161823 /nfs/dbraw/zinc/16/18/23/534161823.db2.gz CQTYWGDXRZMJQD-UHFFFAOYSA-N 0 1 292.766 2.910 20 30 CFEDMN C=CCN(CC=C)Cc1cccc(C(=O)N(C)C)c1 ZINC000052441217 518771484 /nfs/dbraw/zinc/77/14/84/518771484.db2.gz YVJZLNQBAHLSLP-UHFFFAOYSA-N 0 1 258.365 2.562 20 30 CFEDMN C=Cn1cc(CN[C@H](C)c2ccc(C#N)cc2)cn1 ZINC000235193127 519326459 /nfs/dbraw/zinc/32/64/59/519326459.db2.gz JVAAUMOAWFOFQM-GFCCVEGCSA-N 0 1 252.321 2.706 20 30 CFEDMN C=C1CCN(C(=O)c2cnc(-c3ccccc3)[nH]2)CC1 ZINC000265681672 534457950 /nfs/dbraw/zinc/45/79/50/534457950.db2.gz UEUMRBDMPHDVPL-UHFFFAOYSA-N 0 1 267.332 2.869 20 30 CFEDMN CC1(CO)CCN(Cc2ccc(C#N)cc2Cl)CC1 ZINC000336177838 520744177 /nfs/dbraw/zinc/74/41/77/520744177.db2.gz QFPUWUNFXDKYDR-UHFFFAOYSA-N 0 1 278.783 2.806 20 30 CFEDMN COc1cc([C@@H](C)NCc2cccc(C#N)c2)ccn1 ZINC000340472693 522908579 /nfs/dbraw/zinc/90/85/79/522908579.db2.gz KMGSTQOMNOIOQT-GFCCVEGCSA-N 0 1 267.332 2.813 20 30 CFEDMN CC[C@H]1CN(Cc2ccc(C#N)c(OC)c2)CCS1 ZINC000234100201 523290187 /nfs/dbraw/zinc/29/01/87/523290187.db2.gz ZSGSBDNNZFKFTM-AWEZNQCLSA-N 0 1 276.405 2.894 20 30 CFEDMN CN(Cc1nnc(-c2ccc(C#N)cc2)o1)CC1CCC1 ZINC000173727311 523609060 /nfs/dbraw/zinc/60/90/60/523609060.db2.gz AUYFBHDUUNNYNK-UHFFFAOYSA-N 0 1 282.347 2.840 20 30 CFEDMN N#CCc1cccc(NC(=O)N[C@H]2CCCc3cn[nH]c32)c1 ZINC000334981645 534733390 /nfs/dbraw/zinc/73/33/90/534733390.db2.gz GXAHWINFBSIDHU-AWEZNQCLSA-N 0 1 295.346 2.675 20 30 CFEDMN C[C@@H]1CC[C@H](C)N(CC(=O)Nc2ccc(C#N)cc2)C1 ZINC000088704545 524654389 /nfs/dbraw/zinc/65/43/89/524654389.db2.gz JYMFLDTWRWUHFU-OLZOCXBDSA-N 0 1 271.364 2.617 20 30 CFEDMN Cc1cc(CNCc2c3c(nn2C)CCCC3)ccc1C#N ZINC000361054388 524758759 /nfs/dbraw/zinc/75/87/59/524758759.db2.gz TUDPZAAYOWDIJS-UHFFFAOYSA-N 0 1 294.402 2.769 20 30 CFEDMN Cc1ccc(F)c(NS(=O)(=O)c2ccc(C#N)s2)c1 ZINC000230334351 524826051 /nfs/dbraw/zinc/82/60/51/524826051.db2.gz LMRIUOMIILRVEU-UHFFFAOYSA-N 0 1 296.348 2.868 20 30 CFEDMN COc1ncc(CN[C@@H](C)c2ccc(C#N)cc2)c(C)n1 ZINC000337182809 525014653 /nfs/dbraw/zinc/01/46/53/525014653.db2.gz NILFEPMIUXFLOA-NSHDSACASA-N 0 1 282.347 2.516 20 30 CFEDMN C[C@@H]1[C@@H](C)CCCN1CC(=O)Nc1cccc(C#N)c1 ZINC000050564751 525640102 /nfs/dbraw/zinc/64/01/02/525640102.db2.gz KEPVFNGBFSOZTA-QWHCGFSZSA-N 0 1 271.364 2.617 20 30 CFEDMN N#Cc1cc(CN2CC[C@H](O)CC23CCC3)ccc1F ZINC000334990499 526550460 /nfs/dbraw/zinc/55/04/60/526550460.db2.gz XNEUYYCHHPWWLW-AWEZNQCLSA-N 0 1 274.339 2.577 20 30 CFEDMN C=C(C)CN(CCOCC1CC1)Cc1ccc(CO)o1 ZINC000352800676 526552770 /nfs/dbraw/zinc/55/27/70/526552770.db2.gz PQUUXXHZKHJWPX-UHFFFAOYSA-N 0 1 279.380 2.577 20 30 CFEDMN C=C(C)CN(Cc1ccc(CO)o1)C[C@@H]1CC[C@@H](C)O1 ZINC000352813539 526560130 /nfs/dbraw/zinc/56/01/30/526560130.db2.gz DHAOHJTZJVXWBF-KGLIPLIRSA-N 0 1 279.380 2.718 20 30 CFEDMN C=CCNC(=O)CN[C@@H]1C[C@@H](C)Sc2sccc21 ZINC000347347981 526573469 /nfs/dbraw/zinc/57/34/69/526573469.db2.gz SXCIEBUDXNWVHT-MWLCHTKSSA-N 0 1 282.434 2.565 20 30 CFEDMN C=CCNC(=O)CN[C@H]1C[C@@H](C)Sc2sccc21 ZINC000347347980 526575394 /nfs/dbraw/zinc/57/53/94/526575394.db2.gz SXCIEBUDXNWVHT-KOLCDFICSA-N 0 1 282.434 2.565 20 30 CFEDMN N#Cc1ccc(CN2CC[C@@]3(CCOC3)C2)c(Cl)c1 ZINC000334804091 526617625 /nfs/dbraw/zinc/61/76/25/526617625.db2.gz BJGVEXQBVGMYTJ-OAHLLOKOSA-N 0 1 276.767 2.824 20 30 CFEDMN N#Cc1cccc(CN2CCC[C@@](O)(C(F)(F)F)CC2)c1 ZINC000314704438 526703710 /nfs/dbraw/zinc/70/37/10/526703710.db2.gz CETYOOIMRZBTRP-AWEZNQCLSA-N 0 1 298.308 2.838 20 30 CFEDMN N#Cc1cccc(NC(=O)CN2CCC[C@H]3CCC[C@@H]32)c1 ZINC000087770980 526718497 /nfs/dbraw/zinc/71/84/97/526718497.db2.gz GVHFESGLGZZJEO-ZBFHGGJFSA-N 0 1 283.375 2.761 20 30 CFEDMN Cc1nc(C)c(CNCc2cc(C#N)cs2)s1 ZINC000310344738 526725372 /nfs/dbraw/zinc/72/53/72/526725372.db2.gz OXVWBRORQPLSRQ-UHFFFAOYSA-N 0 1 263.391 2.983 20 30 CFEDMN C=CCOCCCN(C)CC(=O)Nc1c(C)cccc1C ZINC000347976098 526745604 /nfs/dbraw/zinc/74/56/04/526745604.db2.gz YDLAJGFVVYGFJZ-UHFFFAOYSA-N 0 1 290.407 2.766 20 30 CFEDMN C#CCN1CCC(c2nc(-c3ccsc3)no2)CC1 ZINC000109476075 526936444 /nfs/dbraw/zinc/93/64/44/526936444.db2.gz CYJHQWYKDKXYOJ-UHFFFAOYSA-N 0 1 273.361 2.611 20 30 CFEDMN COC[C@H]1CCCCN1Cc1cc(C#N)cs1 ZINC000449760745 536505980 /nfs/dbraw/zinc/50/59/80/536505980.db2.gz RBQKKKKDMQDOHZ-GFCCVEGCSA-N 0 1 250.367 2.621 20 30 CFEDMN C=CC1CCN(C(=O)c2c[n-]c3[nH+]c(C)ccc3c2=O)CC1 ZINC000111632238 526977279 /nfs/dbraw/zinc/97/72/79/526977279.db2.gz YBBFJUBQVACDSK-UHFFFAOYSA-N 0 1 297.358 2.682 20 30 CFEDMN C=CCCCNC(=O)c1ccc(Nc2ccncc2)cc1 ZINC000344451902 527229219 /nfs/dbraw/zinc/22/92/19/527229219.db2.gz VPVHLUUBFJNREE-UHFFFAOYSA-N 0 1 281.359 2.943 20 30 CFEDMN CC(C)(Cc1ccc(C#N)cc1)c1nc(C2(N)CCC2)no1 ZINC000414624968 527232761 /nfs/dbraw/zinc/23/27/61/527232761.db2.gz HQQIEZNUNQRJQJ-UHFFFAOYSA-N 0 1 296.374 2.799 20 30 CFEDMN C=CCn1c(CC(C)(C)C)n[n-]c1=[NH+]c1c(C)n[nH]c1C ZINC000350719720 527309575 /nfs/dbraw/zinc/30/95/75/527309575.db2.gz ULQDKNMVLIFJQH-UHFFFAOYSA-N 0 1 288.399 2.558 20 30 CFEDMN C(#Cc1ccccc1)CN1CCC(c2cnccn2)CC1 ZINC000367016313 527466129 /nfs/dbraw/zinc/46/61/29/527466129.db2.gz POXZDEURMLBXHQ-UHFFFAOYSA-N 0 1 277.371 2.708 20 30 CFEDMN CC(C)C1(CNC(=O)c2csc(=NC3CC3)[nH]2)CC1 ZINC000330213337 527598979 /nfs/dbraw/zinc/59/89/79/527598979.db2.gz FHFYVQUJQXKUGX-UHFFFAOYSA-N 0 1 279.409 2.880 20 30 CFEDMN C=C[C@H]1CCCCN1Cc1cc(=O)n2cccc(C)c2n1 ZINC000334657482 527605676 /nfs/dbraw/zinc/60/56/76/527605676.db2.gz WWBYYSLWVGVCFT-HNNXBMFYSA-N 0 1 283.375 2.543 20 30 CFEDMN CCOc1ccc(C#N)cc1NC(=O)c1ncc(C)cc1O ZINC000426647450 528382086 /nfs/dbraw/zinc/38/20/86/528382086.db2.gz OXKCHPNZWHGJPV-UHFFFAOYSA-N 0 1 297.314 2.618 20 30 CFEDMN CCN(CCCN(CC)CC(F)(F)F)C[C@@H](C)C#N ZINC000347296198 528444711 /nfs/dbraw/zinc/44/47/11/528444711.db2.gz CUGKLHHHOWOAKT-LBPRGKRZSA-N 0 1 279.350 2.742 20 30 CFEDMN CCOC(=O)C(C)(C)C1CCN(CC2(C#N)CC2)CC1 ZINC000352204408 528553971 /nfs/dbraw/zinc/55/39/71/528553971.db2.gz XSDGRQZWGPNGJL-UHFFFAOYSA-N 0 1 278.396 2.591 20 30 CFEDMN CCOc1ccc2nc(Sc3cnc(C#N)cn3)[nH]c2c1 ZINC000071179368 528626127 /nfs/dbraw/zinc/62/61/27/528626127.db2.gz NKNWYNAPQBUSHP-UHFFFAOYSA-N 0 1 297.343 2.774 20 30 CFEDMN CCC(CC)n1nccc1C(=O)[C@@H](C#N)c1ccncn1 ZINC000354468176 528917114 /nfs/dbraw/zinc/91/71/14/528917114.db2.gz LOTYTNMHYAWTDX-LBPRGKRZSA-N 0 1 283.335 2.524 20 30 CFEDMN CCC(CC)n1nccc1C(=O)C(C#N)c1ccncn1 ZINC000354468176 528917118 /nfs/dbraw/zinc/91/71/18/528917118.db2.gz LOTYTNMHYAWTDX-LBPRGKRZSA-N 0 1 283.335 2.524 20 30 CFEDMN CCN1CCC[C@@H](NC(=O)c2oc(CC3CC3)nc2C)C1 ZINC000330020193 529047535 /nfs/dbraw/zinc/04/75/35/529047535.db2.gz WHTIUIUJQDHSOF-CYBMUJFWSA-N 0 1 291.395 2.724 20 30 CFEDMN C=C(Cl)CNCCN(CC)C(=O)c1sccc1F ZINC001273363052 782167830 /nfs/dbraw/zinc/16/78/30/782167830.db2.gz JOVNAEWOPCUNTO-UHFFFAOYSA-N 0 1 290.791 2.691 20 30 CFEDMN CC(C)CO[C@H]1CCN(CC#Cc2ccccc2)C1 ZINC000192070849 535210975 /nfs/dbraw/zinc/21/09/75/535210975.db2.gz OECWJTNQLIIXOV-KRWDZBQOSA-N 0 1 257.377 2.785 20 30 CFEDMN CC[C@@H](NCc1c(C)nn(C)c1OC)c1ccc(C#N)cc1 ZINC000447590685 535805124 /nfs/dbraw/zinc/80/51/24/535805124.db2.gz FGQXOJMBWCIJLE-MRXNPFEDSA-N 0 1 298.390 2.850 20 30 CFEDMN C=CCCN1CC[C@@H]1CN(C)C(=O)c1occc1CC ZINC001085802343 782168447 /nfs/dbraw/zinc/16/84/47/782168447.db2.gz RECZKAUPUZKPEY-CQSZACIVSA-N 0 1 276.380 2.564 20 30 CFEDMN C=C(C)CN1CC[C@H]1CN(C)C(=O)[C@H]1CCC(C)(C)C1 ZINC001085803675 782169610 /nfs/dbraw/zinc/16/96/10/782169610.db2.gz UKSWFLAFWPXPMU-GJZGRUSLSA-N 0 1 278.440 2.922 20 30 CFEDMN C[C@@H]1C[C@@H]2C[C@@H]2C[C@@H]1C(=O)Nc1cc(C#N)ccc1O ZINC000935108718 649876469 /nfs/dbraw/zinc/87/64/69/649876469.db2.gz PJFDPUMRJULAIQ-JHEVNIALSA-N 0 1 270.332 2.885 20 30 CFEDMN C=C[C@H](CC)CC(=O)N[C@H](C)c1n[nH]c(C(C)C)n1 ZINC000935147823 649880395 /nfs/dbraw/zinc/88/03/95/649880395.db2.gz VHOZCOSBKLHGRE-GHMZBOCLSA-N 0 1 264.373 2.708 20 30 CFEDMN CC(C)CC[N@@H+](C)[C@H](C(=O)[O-])c1ccc(C#N)cc1 ZINC000736426985 574051361 /nfs/dbraw/zinc/05/13/61/574051361.db2.gz PKMUKXVTACOXQW-AWEZNQCLSA-N 0 1 260.337 2.662 20 30 CFEDMN CCCCC(CC)N=Nc1oc(C)nc1-c1nn[nH]n1 ZINC000736438290 574052567 /nfs/dbraw/zinc/05/25/67/574052567.db2.gz IDRWDIOHURIFTI-UHFFFAOYSA-N 0 1 277.332 2.531 20 30 CFEDMN CC(=NNC1=N[C@@H]2CCCC[C@@H]2N1)c1ccc(Cl)s1 ZINC000753933201 574055347 /nfs/dbraw/zinc/05/53/47/574055347.db2.gz DDHUBWGBTDJHEZ-AOOOYVTPSA-N 0 1 296.827 2.986 20 30 CFEDMN C(=NNC1=N[C@@H]2CCCC[C@H]2N1)c1cc2ccccc2o1 ZINC000753935863 574056399 /nfs/dbraw/zinc/05/63/99/574056399.db2.gz PQYBZSXMEVCQAQ-ZIAGYGMSSA-N 0 1 282.347 2.627 20 30 CFEDMN CC(=NNC1=N[C@@H]2CCCC[C@H]2N1)c1cc(F)cc(F)c1 ZINC000753938956 574057053 /nfs/dbraw/zinc/05/70/53/574057053.db2.gz NGHVGLOLEKPCKL-ZIAGYGMSSA-N 0 1 292.333 2.549 20 30 CFEDMN Cc1cc(C=NNC2=N[C@@H]3CCCC[C@H]3N2)c(C)s1 ZINC000753938596 574057274 /nfs/dbraw/zinc/05/72/74/574057274.db2.gz KKUIIAGYLHZKRI-CHWSQXEVSA-N 0 1 276.409 2.559 20 30 CFEDMN CN(C)c1cc(CN(C)Cc2ccc(C#N)cc2)ccn1 ZINC000753995671 574062195 /nfs/dbraw/zinc/06/21/95/574062195.db2.gz ROAFCADDEQUADB-UHFFFAOYSA-N 0 1 280.375 2.651 20 30 CFEDMN C[C@@H](C#N)C(=O)N[C@@H](C)c1nc2ccc(Cl)cc2[nH]1 ZINC000736679744 574065051 /nfs/dbraw/zinc/06/50/51/574065051.db2.gz KOTJNXAWECLZTL-YUMQZZPRSA-N 0 1 276.727 2.553 20 30 CFEDMN CC[C@H](C(=O)OCc1ccccc1C#N)N(CC)CC ZINC000741033402 574073033 /nfs/dbraw/zinc/07/30/33/574073033.db2.gz TVYSVLYJYURDCR-OAHLLOKOSA-N 0 1 274.364 2.722 20 30 CFEDMN CCCCCCCN(CC(=O)OC)C1CCOCC1 ZINC000744426715 574073751 /nfs/dbraw/zinc/07/37/51/574073751.db2.gz VJGZDGPPYFFBCG-UHFFFAOYSA-N 0 1 271.401 2.611 20 30 CFEDMN CCOC(=O)c1c(C)[nH]c(C=NNc2ccccn2)c1C ZINC000744683335 574083424 /nfs/dbraw/zinc/08/34/24/574083424.db2.gz GMNUTMKLZUNGLF-UHFFFAOYSA-N 0 1 286.335 2.649 20 30 CFEDMN COc1ccc(CNN=C2CN(C(C)C)C[C@@H]2C)cc1 ZINC000754262135 574085152 /nfs/dbraw/zinc/08/51/52/574085152.db2.gz YMGDILHMUWVAKI-ZDUSSCGKSA-N 0 1 275.396 2.501 20 30 CFEDMN Cc1cc(C)n(-c2nncn2N=C/C=C\c2ccccc2)n1 ZINC000744747586 574085508 /nfs/dbraw/zinc/08/55/08/574085508.db2.gz TZKQUUWYMKKERZ-BMWAZNHVSA-N 0 1 292.346 2.628 20 30 CFEDMN C#C[C@H](CC)NC(=O)[C@@H]1CCCCN1Cc1ccccc1 ZINC000754390024 574093268 /nfs/dbraw/zinc/09/32/68/574093268.db2.gz IVVSOULVWSOXFR-SJORKVTESA-N 0 1 284.403 2.569 20 30 CFEDMN N#Cc1cc(CN[C@@H](CCO)c2cccs2)ccc1F ZINC000754388713 574093347 /nfs/dbraw/zinc/09/33/47/574093347.db2.gz QPLPMLLWCRDODT-AWEZNQCLSA-N 0 1 290.363 2.972 20 30 CFEDMN C=CCC[N@@H+]1CCCC[C@@H]1[C@H]1CCCN1C(=O)[O-] ZINC000738493658 574095929 /nfs/dbraw/zinc/09/59/29/574095929.db2.gz PCOCFOTZBDMSDO-CHWSQXEVSA-N 0 1 252.358 2.559 20 30 CFEDMN COc1cc(CN=Nc2ccc(F)cn2)cc(OC)c1 ZINC000731319651 574116514 /nfs/dbraw/zinc/11/65/14/574116514.db2.gz XBXQTIOUCOVSGL-UHFFFAOYSA-N 0 1 275.283 2.684 20 30 CFEDMN C[C@@H](c1ccc(C#N)cc1)N(C)Cc1cccc(C(N)=O)c1 ZINC000746124162 574135992 /nfs/dbraw/zinc/13/59/92/574135992.db2.gz BFWUWSJEZGBAGI-ZDUSSCGKSA-N 0 1 293.370 2.850 20 30 CFEDMN C[N@@H+](Cc1ccc(C#N)cc1)[C@@H](C(=O)[O-])c1ccccc1 ZINC000737450755 574142186 /nfs/dbraw/zinc/14/21/86/574142186.db2.gz ATMNWLUGEYSEGS-MRXNPFEDSA-N 0 1 280.327 2.816 20 30 CFEDMN Cc1nc(-c2nn[nH]n2)c(N=NCC2CCCCCC2)o1 ZINC000737466866 574144084 /nfs/dbraw/zinc/14/40/84/574144084.db2.gz FJYFMUYGDMYAKL-UHFFFAOYSA-N 0 1 289.343 2.531 20 30 CFEDMN C#C[C@@H](NCc1ccc2nc(C)sc2c1)[C@@H]1CCCO1 ZINC000755208666 574146852 /nfs/dbraw/zinc/14/68/52/574146852.db2.gz BWSRMTMWYFYCQE-HIFRSBDPSA-N 0 1 286.400 2.875 20 30 CFEDMN COc1cc([N+](=O)[O-])ccc1N=NC(C)c1ccncc1 ZINC000746679415 574162226 /nfs/dbraw/zinc/16/22/26/574162226.db2.gz GHHJJYKIVJPNOU-UHFFFAOYSA-N 0 1 286.291 2.835 20 30 CFEDMN COc1ccc(CNCc2cnn(C(C)C)c2)cc1C#N ZINC000746742923 574165324 /nfs/dbraw/zinc/16/53/24/574165324.db2.gz UQHUPEGOAHMFPK-UHFFFAOYSA-N 0 1 284.363 2.634 20 30 CFEDMN CCC(N=Nc1ccc(C#N)cc1)c1nccn1C ZINC000755651084 574175486 /nfs/dbraw/zinc/17/54/86/574175486.db2.gz GCVJKPRVNYGRIL-UHFFFAOYSA-N 0 1 253.309 2.518 20 30 CFEDMN COc1cc([N+](=O)[O-])ccc1N=NCc1nc(C)cs1 ZINC000755673771 574177555 /nfs/dbraw/zinc/17/75/55/574177555.db2.gz CZTZVCIUBTUTBK-UHFFFAOYSA-N 0 1 292.320 2.814 20 30 CFEDMN CC(=O)Nc1ccccc1CN=Nc1ccc(C)cn1 ZINC000755688908 574178014 /nfs/dbraw/zinc/17/80/14/574178014.db2.gz FXWLUMWCMVXQLF-UHFFFAOYSA-N 0 1 268.320 2.794 20 30 CFEDMN Cc1nn(C)c(Cl)c1C=N[N-]c1cc(C)cc[nH+]1 ZINC000755902455 574196246 /nfs/dbraw/zinc/19/62/46/574196246.db2.gz MJYQZMWPDVQBNN-UHFFFAOYSA-N 0 1 263.732 2.531 20 30 CFEDMN C=CCN(Cc1cc(C(=O)OC)oc1C)C(C)C ZINC000747448255 574196311 /nfs/dbraw/zinc/19/63/11/574196311.db2.gz XCPUTDBAKUCTEE-UHFFFAOYSA-N 0 1 251.326 2.771 20 30 CFEDMN CC(=NNc1ncnc2nc[nH]c21)c1coc2ccccc12 ZINC000747752976 574210340 /nfs/dbraw/zinc/21/03/40/574210340.db2.gz JLXAVDKYHDFAAH-UHFFFAOYSA-N 0 1 292.302 2.935 20 30 CFEDMN CC(=NN=c1cc[nH]c(N(C)C)n1)c1cccc(C)c1 ZINC000739418032 574212676 /nfs/dbraw/zinc/21/26/76/574212676.db2.gz JSBHQMMACDNEST-UHFFFAOYSA-N 0 1 269.352 2.687 20 30 CFEDMN C#CCCN[C@@H](C(=O)NCc1ccccc1)c1ccccc1 ZINC000733321381 574221036 /nfs/dbraw/zinc/22/10/36/574221036.db2.gz BPGBTIPUTPFPLZ-GOSISDBHSA-N 0 1 292.382 2.657 20 30 CFEDMN CCN(CC(=O)Nc1cc(C#N)ccc1O)c1ccccc1 ZINC000748003287 574224472 /nfs/dbraw/zinc/22/44/72/574224472.db2.gz FQXQNZVLSGSOMB-UHFFFAOYSA-N 0 1 295.342 2.729 20 30 CFEDMN CCOC(=O)c1ccc(C=N[N-]c2[nH]c3ccccc3[nH+]2)o1 ZINC000748244787 574243180 /nfs/dbraw/zinc/24/31/80/574243180.db2.gz QARZAIWHKXLKCT-UHFFFAOYSA-N 0 1 298.302 2.779 20 30 CFEDMN C#CCN1CCC[C@H]1COC(=O)C(C)(C)c1cccs1 ZINC000756542060 574245024 /nfs/dbraw/zinc/24/50/24/574245024.db2.gz FEWIDKILFVPKQN-ZDUSSCGKSA-N 0 1 291.416 2.667 20 30 CFEDMN C#CCN1CCC[C@@H]1COC(=O)CCCSC(C)(C)C ZINC000756552645 574246297 /nfs/dbraw/zinc/24/62/97/574246297.db2.gz RNUCXLRTGOZIFY-CQSZACIVSA-N 0 1 297.464 2.939 20 30 CFEDMN C[C@@H](C(=O)Nc1cc(C#N)ccc1O)c1ccco1 ZINC000748411667 574251501 /nfs/dbraw/zinc/25/15/01/574251501.db2.gz WOYNLUKGKPZSQU-SECBINFHSA-N 0 1 256.261 2.599 20 30 CFEDMN Cc1nc(-c2ccccc2)[nH]c1C(=O)O[C@H](C)CC#N ZINC000733708853 574253473 /nfs/dbraw/zinc/25/34/73/574253473.db2.gz BWEXGVOMRJIONK-SNVBAGLBSA-N 0 1 269.304 2.844 20 30 CFEDMN CC(=NNc1ccncc1Cl)c1ccc2c(c1)CCO2 ZINC000756842434 574267618 /nfs/dbraw/zinc/26/76/18/574267618.db2.gz ROBZGWCOBIJKIN-UHFFFAOYSA-N 0 1 287.750 2.928 20 30 CFEDMN C#CCN(CC(=O)N(C)CC1CCCCC1)C1CCCC1 ZINC000756910967 574272524 /nfs/dbraw/zinc/27/25/24/574272524.db2.gz IRBQMDXVXLZTSG-UHFFFAOYSA-N 0 1 290.451 2.903 20 30 CFEDMN Cc1cc(C#N)ccc1COC(=O)[C@H]1CCCc2[nH]ncc21 ZINC000748922778 574273963 /nfs/dbraw/zinc/27/39/63/574273963.db2.gz VIZVGVIHMQLMCE-AWEZNQCLSA-N 0 1 295.342 2.753 20 30 CFEDMN Cc1cccc2ncc(CNCc3ccc(C#N)cc3)n21 ZINC000749109420 574280324 /nfs/dbraw/zinc/28/03/24/574280324.db2.gz ORZSKODNRLFXOK-UHFFFAOYSA-N 0 1 276.343 2.804 20 30 CFEDMN Cn1cccc1C=NNc1cc(F)c(F)cc1F ZINC000734302069 574280847 /nfs/dbraw/zinc/28/08/47/574280847.db2.gz YDLXTPYECIQSGY-UHFFFAOYSA-N 0 1 253.227 2.888 20 30 CFEDMN COc1ccc2c(c1)OCC2N=Nc1ccc(C)cn1 ZINC000749157501 574283070 /nfs/dbraw/zinc/28/30/70/574283070.db2.gz GABZQWHRWLRGBQ-UHFFFAOYSA-N 0 1 269.304 2.607 20 30 CFEDMN CCCNN=C1CC[N@@H+](Cc2ccccc2)C[C@H]1C ZINC000734365722 574283981 /nfs/dbraw/zinc/28/39/81/574283981.db2.gz QXOLDKLWJAWOCK-CQSZACIVSA-N 0 1 259.397 2.884 20 30 CFEDMN CCCn1cc(C=NNc2nc3ccccc3n2C)cn1 ZINC000734980601 574308467 /nfs/dbraw/zinc/30/84/67/574308467.db2.gz UNNLCLTUCZSTEJ-UHFFFAOYSA-N 0 1 282.351 2.626 20 30 CFEDMN Cc1cc(C(C#N)C(=O)C[C@@H](C)n2cccc2)nc(C)n1 ZINC000735208592 574316324 /nfs/dbraw/zinc/31/63/24/574316324.db2.gz MJDSFOAOOWHUGS-TZMCWYRMSA-N 0 1 282.347 2.723 20 30 CFEDMN CCC(N)=NOCc1cc(Cl)ccc1OCC#N ZINC000735302979 574319748 /nfs/dbraw/zinc/31/97/48/574319748.db2.gz IXVPSTZJMDXLRC-UHFFFAOYSA-N 0 1 267.716 2.651 20 30 CFEDMN C=CCC[N@@H+](Cc1ccc(-c2nn[nH]n2)cc1)C(C)C ZINC000735413772 574322927 /nfs/dbraw/zinc/32/29/27/574322927.db2.gz ZTCMQQNCFWMEAK-UHFFFAOYSA-N 0 1 271.368 2.653 20 30 CFEDMN O=c1c2ccccc2[nH]c(=S)n1N=Cc1ccsc1 ZINC000725860104 574335690 /nfs/dbraw/zinc/33/56/90/574335690.db2.gz WYPRSLZYJKBKFV-UHFFFAOYSA-N 0 1 287.369 2.629 20 30 CFEDMN Cc1cccc2nc([C@H](C#N)C(=O)[C@H]3C[C@@H]3C)[nH]c21 ZINC000735793127 574336124 /nfs/dbraw/zinc/33/61/24/574336124.db2.gz QRYCKBYCQOBHHT-GARJFASQSA-N 0 1 253.305 2.704 20 30 CFEDMN N#Cc1ccc(C(=O)C(C#N)C(=O)Nc2ccccc2)s1 ZINC000750683634 574350980 /nfs/dbraw/zinc/35/09/80/574350980.db2.gz HTJZWCOXZAKOBU-GFCCVEGCSA-N 0 1 295.323 2.581 20 30 CFEDMN C[C@@H](C(=O)C(C#N)C(=O)NC1CCCC1)C1CCCC1 ZINC000750690966 574351064 /nfs/dbraw/zinc/35/10/64/574351064.db2.gz VWOZXGDTGODVEA-BXUZGUMPSA-N 0 1 276.380 2.580 20 30 CFEDMN Cc1cc(F)ccc1C=NNCCN1CCCCC1 ZINC000750934956 574363716 /nfs/dbraw/zinc/36/37/16/574363716.db2.gz RYYDKOWRXVIRKJ-UHFFFAOYSA-N 0 1 263.360 2.544 20 30 CFEDMN Cc1ccoc1C=N[N-]c1[nH+]c2ccccc2n1C ZINC000743436697 574364553 /nfs/dbraw/zinc/36/45/53/574364553.db2.gz AYUFCIVLSNMNPC-UHFFFAOYSA-N 0 1 254.293 2.921 20 30 CFEDMN C[C@@H]1Cc2ccccc2C1=NN=c1cc[nH]c(N(C)C)n1 ZINC000751133950 574369940 /nfs/dbraw/zinc/36/99/40/574369940.db2.gz TYRMEEDOYVTKQX-LLVKDONJSA-N 0 1 281.363 2.551 20 30 CFEDMN Cc1csc(C(C#N)=C([O-])c2[nH+]c(C)n3ccccc23)n1 ZINC000744010769 574375916 /nfs/dbraw/zinc/37/59/16/574375916.db2.gz OTJGGLPIBHBDQU-LLVKDONJSA-N 0 1 296.355 2.898 20 30 CFEDMN CCc1ccc(C(C)=NNCCN2CCCCC2)o1 ZINC000752164116 574388682 /nfs/dbraw/zinc/38/86/82/574388682.db2.gz IZNZKZZDGBTTLV-UHFFFAOYSA-N 0 1 263.385 2.642 20 30 CFEDMN N#CC(=C(O)c1ccc(C#N)[nH]1)c1ccc2ccccc2n1 ZINC000752474424 574391726 /nfs/dbraw/zinc/39/17/26/574391726.db2.gz UKYPBHLNSAZMSF-CYBMUJFWSA-N 0 1 286.294 2.925 20 30 CFEDMN CN1CCc2cc(C=[NH+]Nc3ccccc3C(=O)[O-])ccc21 ZINC000752720397 574393842 /nfs/dbraw/zinc/39/38/42/574393842.db2.gz IKHAYCSJOJQNNN-UHFFFAOYSA-N 0 1 295.342 2.823 20 30 CFEDMN CN1CCc2cc(C=[NH+]Nc3ccc(C(=O)[O-])cc3)ccc21 ZINC000752712621 574393884 /nfs/dbraw/zinc/39/38/84/574393884.db2.gz AYXQJOXFBSRXMG-UHFFFAOYSA-N 0 1 295.342 2.823 20 30 CFEDMN Fc1cc2c(c(F)c1)CCC2=NNCCN1CCCCC1 ZINC000752726282 574393991 /nfs/dbraw/zinc/39/39/91/574393991.db2.gz GJEGHLXMNOILRS-UHFFFAOYSA-N 0 1 293.361 2.691 20 30 CFEDMN CN1CCc2cc(C=NNCc3cccc(F)c3)ccc21 ZINC000752726918 574394053 /nfs/dbraw/zinc/39/40/53/574394053.db2.gz MCRXCLSVNGLKNI-UHFFFAOYSA-N 0 1 283.350 2.942 20 30 CFEDMN CC(C)C1N=NC(=S)N1N=Cc1cccc(Cl)c1O ZINC000753161566 574399560 /nfs/dbraw/zinc/39/95/60/574399560.db2.gz RODURABZFKRXOW-UHFFFAOYSA-N 0 1 296.783 2.931 20 30 CFEDMN CC[C@H](CC#N)NC(=O)c1ccc(CN2CCCCC2)o1 ZINC000935402572 649905196 /nfs/dbraw/zinc/90/51/96/649905196.db2.gz ZNEUWOOSMJZGKH-CYBMUJFWSA-N 0 1 289.379 2.688 20 30 CFEDMN CC[C@@H](CC#N)NC(=O)c1cccc2nc(C(F)F)[nH]c21 ZINC000935400158 649905168 /nfs/dbraw/zinc/90/51/68/649905168.db2.gz QBCQPZPLSUWWDZ-QMMMGPOBSA-N 0 1 292.289 2.923 20 30 CFEDMN C=CCN1CCC[C@H](NC(=O)c2csc(C)c2C)C1 ZINC001007409917 651134704 /nfs/dbraw/zinc/13/47/04/651134704.db2.gz FZUDNLSMFPZIJL-ZDUSSCGKSA-N 0 1 278.421 2.745 20 30 CFEDMN N#CC[C@@H](NC(=O)CC(F)(F)C(F)(F)F)C(F)(F)F ZINC000928801179 620014415 /nfs/dbraw/zinc/01/44/15/620014415.db2.gz UKDVBFDPXVRIQH-SCSAIBSYSA-N 0 1 298.133 2.535 20 30 CFEDMN CC(C)(CCC#N)C[N@H+]1CCC[C@@H](CC(=O)[O-])C1 ZINC000819940446 598151959 /nfs/dbraw/zinc/15/19/59/598151959.db2.gz FNRMOYCCJNDBCM-LBPRGKRZSA-N 0 1 252.358 2.503 20 30 CFEDMN O=C([O-])[C@@H]([NH2+]CC#Cc1ccc(F)cc1)c1ccccc1 ZINC000821541570 598199838 /nfs/dbraw/zinc/19/98/38/598199838.db2.gz POJATJNYNGDRLZ-INIZCTEOSA-N 0 1 283.302 2.593 20 30 CFEDMN C[N@@H+](Cc1cccc(C#N)c1)[C@H](C(=O)[O-])c1ccccc1 ZINC000061953790 600398637 /nfs/dbraw/zinc/39/86/37/600398637.db2.gz JNBRZDAHSVUABM-INIZCTEOSA-N 0 1 280.327 2.816 20 30 CFEDMN C=CC[N@@H+](C/C=C(/C)C(=O)[O-])CCc1ccccc1 ZINC000825682209 601159491 /nfs/dbraw/zinc/15/94/91/601159491.db2.gz TXMRTJBXAIOCQK-ZROIWOOFSA-N 0 1 259.349 2.748 20 30 CFEDMN N#Cc1cccc([C@@H]([NH2+]Cc2cccs2)C(=O)[O-])c1 ZINC000833076275 601298169 /nfs/dbraw/zinc/29/81/69/601298169.db2.gz SYLVXPVEIMUNLC-CYBMUJFWSA-N 0 1 272.329 2.535 20 30 CFEDMN C[C@@H](C[N@@H+](CCCC(C)(C)C#N)C1CC1)C(=O)[O-] ZINC000827450117 601305777 /nfs/dbraw/zinc/30/57/77/601305777.db2.gz RVHLDNZONHZQGV-NSHDSACASA-N 0 1 252.358 2.501 20 30 CFEDMN C#CC[N@H+](Cc1cc(C(=O)[O-])oc1C)C1CCCC1 ZINC000708492472 601664229 /nfs/dbraw/zinc/66/42/29/601664229.db2.gz KANCGVBCFOTPKW-UHFFFAOYSA-N 0 1 261.321 2.664 20 30 CFEDMN C[N@@H+](CCCC(C)(C)C#N)C1CCC(NC(=O)[O-])CC1 ZINC000828285416 603782196 /nfs/dbraw/zinc/78/21/96/603782196.db2.gz OGEOJOQCXRPOFF-UHFFFAOYSA-N 0 1 281.400 2.827 20 30 CFEDMN CC(C)(C#N)CCC[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)[O-] ZINC000823737497 603976111 /nfs/dbraw/zinc/97/61/11/603976111.db2.gz HPQPLWJXXCCVDN-OLZOCXBDSA-N 0 1 279.384 2.533 20 30 CFEDMN C=CCN(CC(F)(F)F)C(=O)c1cc(C(F)F)[nH]n1 ZINC000900425294 620674903 /nfs/dbraw/zinc/67/49/03/620674903.db2.gz NUGJWPORHGGXQC-UHFFFAOYSA-N 0 1 283.200 2.538 20 30 CFEDMN C#CCOc1ccc(C[N@H+](CCC(=O)[O-])CC(C)C)cc1 ZINC000833367081 604577679 /nfs/dbraw/zinc/57/76/79/604577679.db2.gz OWJWIALRZSEWCO-UHFFFAOYSA-N 0 1 289.375 2.631 20 30 CFEDMN C#C[C@H](NC(=O)c1ccc(CN2CCCCC2)o1)C(C)C ZINC000935801000 649947442 /nfs/dbraw/zinc/94/74/42/649947442.db2.gz MCHUPTDHUSRPRC-HNNXBMFYSA-N 0 1 288.391 2.653 20 30 CFEDMN C[C@H]1CC[C@H](C)[N@@H+](Cc2cccc(C(=O)[O-])c2C#N)C1 ZINC000833602031 604609255 /nfs/dbraw/zinc/60/92/55/604609255.db2.gz HFPLGLXETZAPDK-RYUDHWBXSA-N 0 1 272.348 2.877 20 30 CFEDMN C#CCCOc1ccc(C[N@H+](CCC(=O)[O-])C(C)C)cc1 ZINC000833364820 604643861 /nfs/dbraw/zinc/64/38/61/604643861.db2.gz FVHWIMJBAJOLFU-UHFFFAOYSA-N 0 1 289.375 2.774 20 30 CFEDMN CCC[N@@H+](CC(=O)[O-])Cc1ccccc1C(C)(C)C#N ZINC000829475878 604697302 /nfs/dbraw/zinc/69/73/02/604697302.db2.gz SODOYOFIBJIWSY-UHFFFAOYSA-N 0 1 274.364 2.784 20 30 CFEDMN CC(C)(C(=O)[O-])[C@@H]1CCC[N@@H+](CCCCC#N)C1 ZINC000135029510 604930885 /nfs/dbraw/zinc/93/08/85/604930885.db2.gz WJYOPZNWFYMDNK-GFCCVEGCSA-N 0 1 252.358 2.503 20 30 CFEDMN CC(C)[N@H+](CC#Cc1ccccc1Cl)CCC(=O)[O-] ZINC000833497405 604972869 /nfs/dbraw/zinc/97/28/69/604972869.db2.gz VLDQAPNXFVKHKK-UHFFFAOYSA-N 0 1 279.767 2.877 20 30 CFEDMN C[C@@H]1CC(N=Nc2ccc(C(=O)[O-])c(Cl)c2)C[N@H+]1C ZINC000833586491 605156777 /nfs/dbraw/zinc/15/67/77/605156777.db2.gz GDTISCXIAMPKLM-MRVPVSSYSA-N 0 1 281.743 2.530 20 30 CFEDMN C[C@]1(C#N)CCC[N@@H+]([C@H](C(=O)[O-])c2ccccc2F)C1 ZINC000833551226 605419348 /nfs/dbraw/zinc/41/93/48/605419348.db2.gz JWMPSHPMCCNLBW-DZGCQCFKSA-N 0 1 276.311 2.577 20 30 CFEDMN C[C@]1(C#N)CCC[N@H+]([C@H](C(=O)[O-])c2ccccc2F)C1 ZINC000833551226 605419352 /nfs/dbraw/zinc/41/93/52/605419352.db2.gz JWMPSHPMCCNLBW-DZGCQCFKSA-N 0 1 276.311 2.577 20 30 CFEDMN CC(C)(C(=O)[O-])[C@@H]1CCC[N@@H+](Cc2cc(C#N)cs2)C1 ZINC000833420056 605552625 /nfs/dbraw/zinc/55/26/25/605552625.db2.gz OANDKCDEBSDVRN-GFCCVEGCSA-N 0 1 292.404 2.943 20 30 CFEDMN C#CC[N@H+](Cc1ccc(NC(=O)[O-])nc1)C1CCCCC1 ZINC000833787641 605557221 /nfs/dbraw/zinc/55/72/21/605557221.db2.gz WJCNZEFWZYZLNL-UHFFFAOYSA-N 0 1 287.363 2.939 20 30 CFEDMN C=CCOc1ccc(C[N@H+](C[C@H](C)C(=O)[O-])C2CC2)cc1 ZINC000833377789 605750529 /nfs/dbraw/zinc/75/05/29/605750529.db2.gz NQKUKLKBFNFWMH-ZDUSSCGKSA-N 0 1 289.375 2.937 20 30 CFEDMN C#CCOc1ccc(C[N@@H+]2CCCCC[C@@H]2C(=O)[O-])cc1 ZINC000833367109 605928510 /nfs/dbraw/zinc/92/85/10/605928510.db2.gz PFFPADHYRQOTFM-MRXNPFEDSA-N 0 1 287.359 2.528 20 30 CFEDMN N#CCC[N@@H+](Cc1cccc(NC(=O)[O-])c1)CC1CC1 ZINC000833965730 605990760 /nfs/dbraw/zinc/99/07/60/605990760.db2.gz QEHXHNIYQQIGAZ-UHFFFAOYSA-N 0 1 273.336 2.902 20 30 CFEDMN N#CCC[N@H+](Cc1cccc(NC(=O)[O-])c1)CC1CC1 ZINC000833965730 605990762 /nfs/dbraw/zinc/99/07/62/605990762.db2.gz QEHXHNIYQQIGAZ-UHFFFAOYSA-N 0 1 273.336 2.902 20 30 CFEDMN CCC[C@H](C)C(CC)N=Nc1oc(C)nc1-c1nn[nH]n1 ZINC000821014080 606237450 /nfs/dbraw/zinc/23/74/50/606237450.db2.gz BNXPPKCATBTHQW-QMMMGPOBSA-N 0 1 291.359 2.777 20 30 CFEDMN CC(C)C(=O)N[C@@H]1CCN(CC#Cc2ccccc2)[C@@H](C)C1 ZINC000947069726 613925142 /nfs/dbraw/zinc/92/51/42/613925142.db2.gz BILXMAIYMNQALQ-FUHWJXTLSA-N 0 1 298.430 2.663 20 30 CFEDMN C#CCCN1CCCN(C(=O)C(C)(C)C2CCCC2)CC1 ZINC000981350135 613002173 /nfs/dbraw/zinc/00/21/73/613002173.db2.gz GZXXJZOHPKOMSK-UHFFFAOYSA-N 0 1 290.451 2.760 20 30 CFEDMN C#CCCN1CC[C@H](C)[C@H](NC(=O)c2cc(C)cs2)C1 ZINC000965999938 613024525 /nfs/dbraw/zinc/02/45/25/613024525.db2.gz IRZDGLDFEJOVOI-UONOGXRCSA-N 0 1 290.432 2.520 20 30 CFEDMN C#CCN(C)[C@@H]1CCN(C(=O)[C@@H](c2ccccc2)C(C)C)C1 ZINC000972434635 613082387 /nfs/dbraw/zinc/08/23/87/613082387.db2.gz YLLYZJAUVCBYPP-QZTJIDSGSA-N 0 1 298.430 2.592 20 30 CFEDMN C#CCN(C)[C@@H]1CCN(C(=O)[C@@H](C)c2ccc(CC)cc2)C1 ZINC000972553681 613082478 /nfs/dbraw/zinc/08/24/78/613082478.db2.gz CIVSOGVONDANTC-MAUKXSAKSA-N 0 1 298.430 2.518 20 30 CFEDMN C#CCN(C)[C@@H]1CCN(C(=O)[C@H](c2ccccc2)C(C)C)C1 ZINC000972434634 613084075 /nfs/dbraw/zinc/08/40/75/613084075.db2.gz YLLYZJAUVCBYPP-MSOLQXFVSA-N 0 1 298.430 2.592 20 30 CFEDMN C#CCN(C)[C@@H]1CCN(C(=O)c2csc3ccccc32)C1 ZINC000972033602 613087955 /nfs/dbraw/zinc/08/79/55/613087955.db2.gz UYNULLQAHIUTPJ-CYBMUJFWSA-N 0 1 298.411 2.681 20 30 CFEDMN C#CCN(C)[C@H]1CCN(C(=O)CCC2CCCCCC2)C1 ZINC000971953362 613089341 /nfs/dbraw/zinc/08/93/41/613089341.db2.gz FADDXXPICHYLHW-KRWDZBQOSA-N 0 1 290.451 2.903 20 30 CFEDMN C#CCN(C)[C@H]1CCN(C(=O)CC2(C)CCCCC2)C1 ZINC000971916312 613089485 /nfs/dbraw/zinc/08/94/85/613089485.db2.gz FQOIRFALIAEKLS-HNNXBMFYSA-N 0 1 276.424 2.513 20 30 CFEDMN C#CCN(C)[C@H]1CCN(C(=O)c2cccc3ccsc32)C1 ZINC000972668595 613095275 /nfs/dbraw/zinc/09/52/75/613095275.db2.gz SNFAZRYUNOCQEZ-AWEZNQCLSA-N 0 1 298.411 2.681 20 30 CFEDMN C#CCN1CCCC2(CN(C(=O)c3ccc(C=C)cc3)C2)C1 ZINC000982031187 613144203 /nfs/dbraw/zinc/14/42/03/613144203.db2.gz YZWCIDQQYUPKMG-UHFFFAOYSA-N 0 1 294.398 2.501 20 30 CFEDMN C#CCN1CCCCC[C@@H]1CNC(=O)C12CCC(CC1)C2 ZINC000968916545 613145314 /nfs/dbraw/zinc/14/53/14/613145314.db2.gz CNIZCDWDYQONIQ-UPTPFMHGSA-N 0 1 288.435 2.561 20 30 CFEDMN C#CCN1CCCCC[C@@H]1CNC(=O)[C@@]12C[C@@H]1CCCC2 ZINC000969019820 613146358 /nfs/dbraw/zinc/14/63/58/613146358.db2.gz GYTJJGLPEVEBJG-JZXOWHBKSA-N 0 1 288.435 2.561 20 30 CFEDMN C#CCN1CCCCC[C@H]1CNC(=O)c1ccc(C=C)cc1 ZINC000969039310 613149547 /nfs/dbraw/zinc/14/95/47/613149547.db2.gz HEOGUAYNVKTYHO-SFHVURJKSA-N 0 1 296.414 2.937 20 30 CFEDMN C#Cc1ccc(C(=O)N2CCCN(CC=C(C)C)CC2)cc1 ZINC000981730970 613168494 /nfs/dbraw/zinc/16/84/94/613168494.db2.gz VCLVDPPBJOOTTF-UHFFFAOYSA-N 0 1 296.414 2.782 20 30 CFEDMN C#CCN1CC[C@@H](NC(=O)c2cccc(C)c2C)C(C)(C)C1 ZINC000941192824 613236973 /nfs/dbraw/zinc/23/69/73/613236973.db2.gz AATLWYZKCXSLKZ-QGZVFWFLSA-N 0 1 298.430 2.767 20 30 CFEDMN C=C(C)CCN1CC(N(CC)C(=O)[C@@H]2C[C@H]2C2CCC2)C1 ZINC000952444671 613245619 /nfs/dbraw/zinc/24/56/19/613245619.db2.gz ZRVYTINUCLFCPC-DLBZAZTESA-N 0 1 290.451 2.922 20 30 CFEDMN C=C(C)CCN1CCN(C(=O)C(C)(C)C(F)(F)F)CC1 ZINC000957404595 613256766 /nfs/dbraw/zinc/25/67/66/613256766.db2.gz ZIMPFJATKMXRBP-UHFFFAOYSA-N 0 1 292.345 2.685 20 30 CFEDMN C=C(C)CCN1CCN(C(=O)c2c(C)cccc2F)CC1 ZINC000957920360 613261249 /nfs/dbraw/zinc/26/12/49/613261249.db2.gz AVQZHMGNWNUHER-UHFFFAOYSA-N 0 1 290.382 2.858 20 30 CFEDMN C=C(C)CCN1CCN(C(=O)c2cccn2C(C)C)CC1 ZINC000957673759 613261863 /nfs/dbraw/zinc/26/18/63/613261863.db2.gz CQLMVZRXGKPZIE-UHFFFAOYSA-N 0 1 289.423 2.793 20 30 CFEDMN C#CCN1CC[C@H](NC(=O)c2cc(C)sc2C)C[C@@H]1C ZINC000947515871 613266169 /nfs/dbraw/zinc/26/61/69/613266169.db2.gz QGIYPAYDUMQKMK-FZMZJTMJSA-N 0 1 290.432 2.581 20 30 CFEDMN C#CCN1CC[C@H](NC(=O)c2cc3ccccc3o2)C[C@@H]1C ZINC000948002819 613266951 /nfs/dbraw/zinc/26/69/51/613266951.db2.gz WTUSEPONRUPYTL-ZFWWWQNUSA-N 0 1 296.370 2.649 20 30 CFEDMN C#CCN1C[C@@H](NC(=O)[C@H](C)c2ccc(C)cc2)C(C)(C)C1 ZINC000977516916 613282278 /nfs/dbraw/zinc/28/22/78/613282278.db2.gz TUHWWCCKVWYIKV-NVXWUHKLSA-N 0 1 298.430 2.558 20 30 CFEDMN C#CCN1C[C@H](NC(=O)[C@H](C)c2ccc(C)cc2)C(C)(C)C1 ZINC000977516920 613298470 /nfs/dbraw/zinc/29/84/70/613298470.db2.gz TUHWWCCKVWYIKV-WBVHZDCISA-N 0 1 298.430 2.558 20 30 CFEDMN C=C(C)CN1CC([C@H](C)NC(=O)c2cc(F)ccc2F)C1 ZINC000969846004 613302923 /nfs/dbraw/zinc/30/29/23/613302923.db2.gz RQLSHSRLCRFKSX-NSHDSACASA-N 0 1 294.345 2.591 20 30 CFEDMN C=C(C)CN1CCCN(C(=O)C2CCCCC2)CC1 ZINC000980645277 613307876 /nfs/dbraw/zinc/30/78/76/613307876.db2.gz ATVLOMFUKFOGGP-UHFFFAOYSA-N 0 1 264.413 2.677 20 30 CFEDMN C=C(C)CN1CCCN(C(=O)[C@@H]2C[C@H]2C2CCC2)CC1 ZINC000982156128 613309924 /nfs/dbraw/zinc/30/99/24/613309924.db2.gz JARDESWCKPQNSG-JKSUJKDBSA-N 0 1 276.424 2.533 20 30 CFEDMN C=C(C)CN1CCCN(C(=O)[C@@H]2C[C@@H]3CCCC[C@H]23)CC1 ZINC000981669222 613310345 /nfs/dbraw/zinc/31/03/45/613310345.db2.gz ZRNNDOPZHCXULN-YESZJQIVSA-N 0 1 290.451 2.923 20 30 CFEDMN C=C(C)CN1CCCN(C(=O)[C@H]2C[C@@]2(C)C(C)C)CC1 ZINC000983431146 613311518 /nfs/dbraw/zinc/31/15/18/613311518.db2.gz VIJUVMFURDXAJJ-WBVHZDCISA-N 0 1 278.440 2.779 20 30 CFEDMN C=C(C)CN1CCCN(C(=O)c2ccnc(C3CC3)c2)CC1 ZINC000981560848 613312301 /nfs/dbraw/zinc/31/23/01/613312301.db2.gz NHYGXKBOEMCXRN-UHFFFAOYSA-N 0 1 299.418 2.683 20 30 CFEDMN C=C(C)CN1CCCN(C(=O)c2cscc2C)CC1 ZINC000980928587 613313429 /nfs/dbraw/zinc/31/34/29/613313429.db2.gz QDUKNDLPUAVRKD-UHFFFAOYSA-N 0 1 278.421 2.781 20 30 CFEDMN C=C(C)CN1CC[C@@H](C)[C@H](NC(=O)c2ccoc2CC)C1 ZINC000965973740 613325988 /nfs/dbraw/zinc/32/59/88/613325988.db2.gz FTJRRBMCDBBKDE-UKRRQHHQSA-N 0 1 290.407 2.858 20 30 CFEDMN C=C(C)CN1CC[C@@H](C)[C@H](NC(=O)c2cc(C)co2)C1 ZINC000967892028 613326047 /nfs/dbraw/zinc/32/60/47/613326047.db2.gz BQNTWQUMWMUPMT-ZIAGYGMSSA-N 0 1 276.380 2.604 20 30 CFEDMN C=C(C)CN1CC[C@@H](C)[C@H](NC(=O)c2coc(C)c2)C1 ZINC000965951686 613326284 /nfs/dbraw/zinc/32/62/84/613326284.db2.gz HFJSQNXUXCKGJQ-IUODEOHRSA-N 0 1 276.380 2.604 20 30 CFEDMN C=C(C)CN1CC[C@H](C)[C@@H](NC(=O)c2ccccc2F)C1 ZINC000964683940 613333067 /nfs/dbraw/zinc/33/30/67/613333067.db2.gz LBZPZIQZQFUVPJ-BBRMVZONSA-N 0 1 290.382 2.842 20 30 CFEDMN C=C(C)CN1CC[C@H](C)[C@@H](NC(=O)c2occc2C)C1 ZINC000965176320 613333630 /nfs/dbraw/zinc/33/36/30/613333630.db2.gz IZEONEPAJFFALC-JSGCOSHPSA-N 0 1 276.380 2.604 20 30 CFEDMN C=C(Cl)CN1CCC[C@H](N(C)C(=O)c2cc[nH]c2)CC1 ZINC000948397308 613374473 /nfs/dbraw/zinc/37/44/73/613374473.db2.gz PHKNNUYPMREBBN-AWEZNQCLSA-N 0 1 295.814 2.694 20 30 CFEDMN C=C(Cl)CN[C@@H]1CCN(C(=O)c2cc(C)c(CC)o2)C1 ZINC000970464711 613385685 /nfs/dbraw/zinc/38/56/85/613385685.db2.gz BAVMKDVTESHUEG-GFCCVEGCSA-N 0 1 296.798 2.707 20 30 CFEDMN C=C(Cl)CN[C@@H]1CCN(C(=O)c2ccoc2CCC)C1 ZINC000970477079 613385917 /nfs/dbraw/zinc/38/59/17/613385917.db2.gz UVQYNJQFTTVBOM-GFCCVEGCSA-N 0 1 296.798 2.789 20 30 CFEDMN C=C1CC(C)(C(=O)N2CCCN(CC=C(C)C)CC2)C1 ZINC000981909761 613393314 /nfs/dbraw/zinc/39/33/14/613393314.db2.gz SMCUZLIMRNPFIF-UHFFFAOYSA-N 0 1 276.424 2.843 20 30 CFEDMN C=C1CC(C)(C(=O)N2CCN(CC3CCCC3)CC2)C1 ZINC000950373404 613393525 /nfs/dbraw/zinc/39/35/25/613393525.db2.gz XBWKSGLXBROVCY-UHFFFAOYSA-N 0 1 276.424 2.677 20 30 CFEDMN C=C1CCC(C(=O)N[C@H]2CN(CC#CC)CC[C@@H]2C)CC1 ZINC000968216080 613412829 /nfs/dbraw/zinc/41/28/29/613412829.db2.gz ZMEVBSQYTKNDRF-RDJZCZTQSA-N 0 1 288.435 2.583 20 30 CFEDMN C=CCCN1CCN(C(=O)C[C@@H](C)c2ccccc2)CC1 ZINC000957545831 613503957 /nfs/dbraw/zinc/50/39/57/613503957.db2.gz IBLUUBYDENQAQY-MRXNPFEDSA-N 0 1 286.419 2.901 20 30 CFEDMN C=CCCN1CCN(C(=O)[C@@H]2CCCC[C@@H]2C)CC1 ZINC000949930532 613505787 /nfs/dbraw/zinc/50/57/87/613505787.db2.gz PGMSEWLANFBJRG-LSDHHAIUSA-N 0 1 264.413 2.533 20 30 CFEDMN C=CCCN1CCN(C(=O)[C@@H]2CCCC[C@H]2CC)CC1 ZINC000956973813 613506160 /nfs/dbraw/zinc/50/61/60/613506160.db2.gz IANGQEMEOCNXNR-HZPDHXFCSA-N 0 1 278.440 2.923 20 30 CFEDMN C=CCCN1CCN(C(=O)[C@@H]2CCC[C@@H]2CC)CC1 ZINC000950332332 613506254 /nfs/dbraw/zinc/50/62/54/613506254.db2.gz JRMINFFZDZZEOW-LSDHHAIUSA-N 0 1 264.413 2.533 20 30 CFEDMN C=CCCN1CCN(C(=O)c2cc(F)ccc2CC)CC1 ZINC000949094298 613509570 /nfs/dbraw/zinc/50/95/70/613509570.db2.gz WTPLMCMMDYWOJZ-UHFFFAOYSA-N 0 1 290.382 2.722 20 30 CFEDMN C=Cc1ccc(C(=O)N[C@@H]2CN(CC#CC)CC[C@@H]2C)cc1 ZINC000968346032 613514702 /nfs/dbraw/zinc/51/47/02/613514702.db2.gz RECIVDBZLGBZGS-MAUKXSAKSA-N 0 1 296.414 2.793 20 30 CFEDMN CC#CCN1CC[C@@H](C)[C@H](NC(=O)CC2=CCCCC2)C1 ZINC000965621941 613574557 /nfs/dbraw/zinc/57/45/57/613574557.db2.gz IEUYHAZULQOGEP-NVXWUHKLSA-N 0 1 288.435 2.727 20 30 CFEDMN CC#CCN1CC[C@H](NC(=O)c2occc2Cl)C[C@@H]1C ZINC000947686406 613607760 /nfs/dbraw/zinc/60/77/60/613607760.db2.gz XVYVPQQMYXHIFN-RYUDHWBXSA-N 0 1 294.782 2.539 20 30 CFEDMN CC#CCN1C[C@@H](NC(=O)c2ccc(C)cc2C)C(C)(C)C1 ZINC000977565160 613610929 /nfs/dbraw/zinc/61/09/29/613610929.db2.gz VQKSPEVKJSKBAM-QGZVFWFLSA-N 0 1 298.430 2.767 20 30 CFEDMN CC#CCN1C[C@H](NC(=O)C[C@@H]2C=CCCC2)C(C)(C)C1 ZINC000974738590 613620024 /nfs/dbraw/zinc/62/00/24/613620024.db2.gz IVZHUOVRVGUTIS-CVEARBPZSA-N 0 1 288.435 2.583 20 30 CFEDMN CC#CCN1C[C@H](NC(=O)c2c(C)cccc2C)C(C)(C)C1 ZINC000975106116 613622632 /nfs/dbraw/zinc/62/26/32/613622632.db2.gz MIZCFUNGYHLPIA-INIZCTEOSA-N 0 1 298.430 2.767 20 30 CFEDMN CC#CCN1C[C@H](NC(=O)c2cc(C)cc(C)c2)C(C)(C)C1 ZINC000977527302 613623530 /nfs/dbraw/zinc/62/35/30/613623530.db2.gz BBBNHPVVUOTFPY-KRWDZBQOSA-N 0 1 298.430 2.767 20 30 CFEDMN C=CCN1CC([C@@H](C)NC(=O)[C@@H]2CCCC3(CC3)C2)C1 ZINC000969664294 613662365 /nfs/dbraw/zinc/66/23/65/613662365.db2.gz PDBDVCYCCUZNMO-ZIAGYGMSSA-N 0 1 276.424 2.579 20 30 CFEDMN C=CCN1CC([C@@H](C)NC(=O)[C@H]2CCCc3ccccc32)C1 ZINC000969960401 613663399 /nfs/dbraw/zinc/66/33/99/613663399.db2.gz FAIMGMIGDZLQFN-KDOFPFPSSA-N 0 1 298.430 2.729 20 30 CFEDMN C=CCN1CC([C@@H](C)NC(=O)c2cc(CC)c(C)s2)C1 ZINC000970844906 613664672 /nfs/dbraw/zinc/66/46/72/613664672.db2.gz BTUREPXXIAHXHX-LLVKDONJSA-N 0 1 292.448 2.855 20 30 CFEDMN C=CCN1CC([C@@H](C)NC(=O)c2ccc(C)nc2C2CC2)C1 ZINC000970226535 613665561 /nfs/dbraw/zinc/66/55/61/613665561.db2.gz SITXYEMPZISCCE-CYBMUJFWSA-N 0 1 299.418 2.504 20 30 CFEDMN C=CCN1CC([C@@H](C)NC(=O)c2ccccc2CCC)C1 ZINC000970115665 613666016 /nfs/dbraw/zinc/66/60/16/613666016.db2.gz FQIRNLMXAFNMMC-CQSZACIVSA-N 0 1 286.419 2.875 20 30 CFEDMN C=CCN1CC([C@H](C)NC(=O)C23CCC(CC2)C3(C)C)C1 ZINC000970545560 613668209 /nfs/dbraw/zinc/66/82/09/613668209.db2.gz MIXWFNSFHOCJHD-UQHVZDHRSA-N 0 1 290.451 2.825 20 30 CFEDMN C=CCN1CC([C@H](C)NC(=O)[C@@H]2C[C@H]2c2ccccc2C)C1 ZINC000970570720 613669593 /nfs/dbraw/zinc/66/95/93/613669593.db2.gz XBEOQIRGDVXENX-JCGIZDLHSA-N 0 1 298.430 2.721 20 30 CFEDMN C=CCN1CC([C@H](C)NC(=O)c2cc(CC)c(CC)o2)C1 ZINC000970746365 613670982 /nfs/dbraw/zinc/67/09/82/613670982.db2.gz LNBNOXCEFWXUMP-LBPRGKRZSA-N 0 1 290.407 2.641 20 30 CFEDMN C=CCN1CCCN(C(=O)C(CC)(CC)CC)CC1 ZINC000982944668 613688584 /nfs/dbraw/zinc/68/85/84/613688584.db2.gz ORAGKILMIQYPFD-UHFFFAOYSA-N 0 1 266.429 2.923 20 30 CFEDMN C=CCN1CCCN(C(=O)[C@@H](C)c2cccs2)CC1 ZINC000981939752 613691148 /nfs/dbraw/zinc/69/11/48/613691148.db2.gz GDRNEMWTUKAEME-ZDUSSCGKSA-N 0 1 278.421 2.572 20 30 CFEDMN C=CCN1CCCN(C(=O)[C@H](C)CC2CCCC2)CC1 ZINC000982071331 613693337 /nfs/dbraw/zinc/69/33/37/613693337.db2.gz BRRVVCKURORIFE-OAHLLOKOSA-N 0 1 278.440 2.923 20 30 CFEDMN C=CCN1CCCN(C(=O)c2cc3ccsc3[nH]2)CC1 ZINC000981720730 613696202 /nfs/dbraw/zinc/69/62/02/613696202.db2.gz NPHJHOUPRUDFOR-UHFFFAOYSA-N 0 1 289.404 2.563 20 30 CFEDMN C=CCN1CCCN(C(=O)c2ccc3cccnc3c2)CC1 ZINC000982266167 613697038 /nfs/dbraw/zinc/69/70/38/613697038.db2.gz XHTPBOLTONDNAW-UHFFFAOYSA-N 0 1 295.386 2.569 20 30 CFEDMN C=CCN1CCCN(C(=O)c2ccc3cc[nH]c3c2)CC1 ZINC000982036797 613697180 /nfs/dbraw/zinc/69/71/80/613697180.db2.gz WUFOMXDZGGWXME-UHFFFAOYSA-N 0 1 283.375 2.502 20 30 CFEDMN C=CCN1CCCN(C(=O)c2cccc3c2CCCC3)CC1 ZINC000981232426 613697732 /nfs/dbraw/zinc/69/77/32/613697732.db2.gz BDVNMKBWTWJEBO-UHFFFAOYSA-N 0 1 298.430 2.899 20 30 CFEDMN C=CCN1CC[C@@H](C)[C@@H](NC(=O)C(C)=C2CCCC2)C1 ZINC000965887016 613727054 /nfs/dbraw/zinc/72/70/54/613727054.db2.gz PSTNHWNBHMFEKB-CJNGLKHVSA-N 0 1 276.424 2.890 20 30 CFEDMN C=CCN1CC[C@@H](C)[C@@H](NC(=O)C2(C3CC3)CCC2)C1 ZINC000967467456 613727307 /nfs/dbraw/zinc/72/73/07/613727307.db2.gz OKLCRNXSAVAGCG-HIFRSBDPSA-N 0 1 276.424 2.579 20 30 CFEDMN C=CCN1CC[C@@H](C)[C@@H](NC(=O)c2c(C)cccc2C)C1 ZINC000968339792 613728953 /nfs/dbraw/zinc/72/89/53/613728953.db2.gz KABQYXGFYGCAPJ-CJNGLKHVSA-N 0 1 286.419 2.930 20 30 CFEDMN C=CCN1CC[C@@H](C)[C@H](NC(=O)c2ccc(F)c(F)c2)C1 ZINC000966719909 613734306 /nfs/dbraw/zinc/73/43/06/613734306.db2.gz GBYMHQPNZIXHEB-IAQYHMDHSA-N 0 1 294.345 2.591 20 30 CFEDMN C=CCN1CC[C@H](C)[C@@H](NC(=O)C(C)=C2CCCC2)C1 ZINC000965887015 613766203 /nfs/dbraw/zinc/76/62/03/613766203.db2.gz PSTNHWNBHMFEKB-BBRMVZONSA-N 0 1 276.424 2.890 20 30 CFEDMN C=CCN1CC[C@H](C)[C@@H](NC(=O)Cc2ccc(C)s2)C1 ZINC000968678762 613767360 /nfs/dbraw/zinc/76/73/60/613767360.db2.gz URLMLGWXJHGNTL-WFASDCNBSA-N 0 1 292.448 2.612 20 30 CFEDMN C=CCN1CC[C@H](C)[C@H](NC(=O)C2(C)CCCC2)C1 ZINC000967528831 613771600 /nfs/dbraw/zinc/77/16/00/613771600.db2.gz UVAFDCOJRNOEGP-UONOGXRCSA-N 0 1 264.413 2.579 20 30 CFEDMN C=CCN1CC[C@H](C)[C@H](NC(=O)c2c(C)cccc2C)C1 ZINC000968339796 613772682 /nfs/dbraw/zinc/77/26/82/613772682.db2.gz KABQYXGFYGCAPJ-XJKSGUPXSA-N 0 1 286.419 2.930 20 30 CFEDMN C=CCN1CC[C@H](C)[C@H](NC(=O)c2cccn2C(C)C)C1 ZINC000968660733 613773880 /nfs/dbraw/zinc/77/38/80/613773880.db2.gz NGTCCILRMMMDJQ-LSDHHAIUSA-N 0 1 289.423 2.695 20 30 CFEDMN C=CCN1C[C@@H](NC(=O)[C@@H]2CC23CCCC3)C(C)(C)C1 ZINC000977447853 613807571 /nfs/dbraw/zinc/80/75/71/613807571.db2.gz MJIVQFIKBIQRCO-UONOGXRCSA-N 0 1 276.424 2.579 20 30 CFEDMN C=CCN1C[C@@H](NC(=O)[C@H]2CC[C@@H]3C[C@@H]3CC2)C(C)(C)C1 ZINC000974878899 613807930 /nfs/dbraw/zinc/80/79/30/613807930.db2.gz MHGWOLOWDWTFPT-QKPAOTATSA-N 0 1 290.451 2.825 20 30 CFEDMN C=CCN1C[C@@H](NC(=O)c2ccc(C)cc2C)C(C)(C)C1 ZINC000977550894 613809950 /nfs/dbraw/zinc/80/99/50/613809950.db2.gz BTQCJEYVXPFXQP-MRXNPFEDSA-N 0 1 286.419 2.930 20 30 CFEDMN C=CCN1C[C@H](NC(=O)C2=CCCCCC2)C(C)(C)C1 ZINC000974493443 613826596 /nfs/dbraw/zinc/82/65/96/613826596.db2.gz PXPPIYXRLPFVKM-HNNXBMFYSA-N 0 1 276.424 2.890 20 30 CFEDMN C=CCN1C[C@H](NC(=O)[C@H]2CC[C@@H]3C[C@@H]3CC2)C(C)(C)C1 ZINC000974878894 613827188 /nfs/dbraw/zinc/82/71/88/613827188.db2.gz MHGWOLOWDWTFPT-FZKCQIBNSA-N 0 1 290.451 2.825 20 30 CFEDMN C=CCN1C[C@H](NC(=O)[C@@H](F)c2ccccc2)C(C)(C)C1 ZINC000975081230 613827206 /nfs/dbraw/zinc/82/72/06/613827206.db2.gz FXLJVFXGTWVYSP-GJZGRUSLSA-N 0 1 290.382 2.710 20 30 CFEDMN C=CCN1C[C@H](NC(=O)[C@H](C)c2ccccc2)C(C)(C)C1 ZINC000977522039 613828052 /nfs/dbraw/zinc/82/80/52/613828052.db2.gz GMAVHOZJZKCMOA-ZBFHGGJFSA-N 0 1 286.419 2.803 20 30 CFEDMN C=CCN1C[C@H](NC(=O)[C@]2(C)CC=CCC2)C(C)(C)C1 ZINC000974610810 613828361 /nfs/dbraw/zinc/82/83/61/613828361.db2.gz DRQOHVXULZBMKG-WMLDXEAASA-N 0 1 276.424 2.745 20 30 CFEDMN C=CCN1C[C@H](NC(=O)c2cc[nH]c2C(C)C)C(C)(C)C1 ZINC000974950945 613828862 /nfs/dbraw/zinc/82/88/62/613828862.db2.gz GMFZJXXKJHKVKP-AWEZNQCLSA-N 0 1 289.423 2.764 20 30 CFEDMN Cc1nc([C@@H](C)OC(=O)c2ccc(C(C)(C)C#N)cc2)n[nH]1 ZINC000840537696 617963158 /nfs/dbraw/zinc/96/31/58/617963158.db2.gz DHETWXJXADSTBW-SNVBAGLBSA-N 0 1 298.346 2.832 20 30 CFEDMN CC(C)n1cc(/C=C\C(=O)c2ccc(O)cc2O)cn1 ZINC000255133724 617989232 /nfs/dbraw/zinc/98/92/32/617989232.db2.gz SBFVAPUPYFJIIM-UTCJRWHESA-N 0 1 272.304 2.771 20 30 CFEDMN C[C@@H]1CSCCCN1Cc1ccc(C#N)cc1[N+](=O)[O-] ZINC000934297688 617990343 /nfs/dbraw/zinc/99/03/43/617990343.db2.gz JRHQJHMBYFMDNJ-LLVKDONJSA-N 0 1 291.376 2.794 20 30 CFEDMN CC#CC[N@H+]1CC[C@@H]2[C@@H](CCCN2C(=O)C2CCCC2)C1 ZINC001021493750 618028713 /nfs/dbraw/zinc/02/87/13/618028713.db2.gz VWMUCHDCOJTSQJ-DLBZAZTESA-N 0 1 288.435 2.513 20 30 CFEDMN N#Cc1cc(F)ccc1CN[C@@H]1CCOC12CCCC2 ZINC000934396608 618029813 /nfs/dbraw/zinc/02/98/13/618029813.db2.gz QHKHMMGRXHNTPX-OAHLLOKOSA-N 0 1 274.339 2.889 20 30 CFEDMN CC(C)NC(=O)C(C#N)C(=O)CC[C@H](C)c1ccccc1 ZINC000160187125 617608008 /nfs/dbraw/zinc/60/80/08/617608008.db2.gz HYKWKBIVGDQLNE-DZGCQCFKSA-N 0 1 286.375 2.804 20 30 CFEDMN C=CC[C@H]1CCN1C(=O)c1cnc(-c2ccccc2)[nH]1 ZINC000890553945 617644605 /nfs/dbraw/zinc/64/46/05/617644605.db2.gz FLZBHECVQFLGHZ-ZDUSSCGKSA-N 0 1 267.332 2.867 20 30 CFEDMN Cc1nn(-c2ccncc2)cc1C=NOC/C=C\Cl ZINC000811667861 617696082 /nfs/dbraw/zinc/69/60/82/617696082.db2.gz FPRVSHLSEHAEHQ-ACTNEVMUSA-N 0 1 276.727 2.679 20 30 CFEDMN C#CCC1(C(=O)N2C[C@@H](C)N(C)C[C@H]2C)CCCCC1 ZINC000788236886 617873214 /nfs/dbraw/zinc/87/32/14/617873214.db2.gz QHEDUBNFCHUAGM-HUUCEWRRSA-N 0 1 276.424 2.511 20 30 CFEDMN CC(C)(C)CCC(=O)C(C#N)C(=O)NC1CCCCC1 ZINC000121669522 617887213 /nfs/dbraw/zinc/88/72/13/617887213.db2.gz YEMAUQOERIMJJC-CYBMUJFWSA-N 0 1 278.396 2.970 20 30 CFEDMN CO[C@@H]1CC[C@H]1N(C)CC#Cc1ccccc1Cl ZINC000934105361 617902010 /nfs/dbraw/zinc/90/20/10/617902010.db2.gz NXISCSBKQLRTCZ-HUUCEWRRSA-N 0 1 263.768 2.801 20 30 CFEDMN CCOC[C@@H]1CCCN(Cc2csc(C#N)c2)C1 ZINC000892048519 617926480 /nfs/dbraw/zinc/92/64/80/617926480.db2.gz LZFAZEVPDGYNNN-GFCCVEGCSA-N 0 1 264.394 2.868 20 30 CFEDMN CC(C)OCCCN(C)Cc1csc(C#N)c1 ZINC000892075060 617938173 /nfs/dbraw/zinc/93/81/73/617938173.db2.gz HAVOPQIBCJPQDI-UHFFFAOYSA-N 0 1 252.383 2.867 20 30 CFEDMN C[C@@H]1CC(N=Nc2ccnn2C)CN(Cc2ccccc2)C1 ZINC000901220865 620765354 /nfs/dbraw/zinc/76/53/54/620765354.db2.gz USBOPRVHJNISCC-CQSZACIVSA-N 0 1 297.406 2.730 20 30 CFEDMN Cc1nccc(N2CCC(C#N)CC2)c1Br ZINC000892137906 617968932 /nfs/dbraw/zinc/96/89/32/617968932.db2.gz RNVMYCXTKGMHTO-UHFFFAOYSA-N 0 1 280.169 2.893 20 30 CFEDMN COCC#CCN[C@H](c1ncccc1C)C(C)(C)C ZINC000934293006 617989527 /nfs/dbraw/zinc/98/95/27/617989527.db2.gz SYJSJOLZYVVNBR-OAHLLOKOSA-N 0 1 260.381 2.717 20 30 CFEDMN C[C@H]1CCN(Cc2ccccc2)CC1N=Nc1ccnn1C ZINC000901220087 620767749 /nfs/dbraw/zinc/76/77/49/620767749.db2.gz JRSLDQHTUMDFRZ-AWEZNQCLSA-N 0 1 297.406 2.730 20 30 CFEDMN Cc1nc(Br)c(C=NOCCC2CC2)[nH]1 ZINC000901246293 620771399 /nfs/dbraw/zinc/77/13/99/620771399.db2.gz WXOYCZXKJIWEJI-UHFFFAOYSA-N 0 1 272.146 2.631 20 30 CFEDMN C=CC[C@@H]1CCN1[C@@H](C)C(=O)NC[C@@H](C)c1ccccc1 ZINC000934472231 618047561 /nfs/dbraw/zinc/04/75/61/618047561.db2.gz PWHWADRRBQSHPZ-HLLBOEOZSA-N 0 1 286.419 2.945 20 30 CFEDMN Cc1cc(CN2CCOC[C@]2(C)C2CC2)ccc1C#N ZINC000934479274 618050822 /nfs/dbraw/zinc/05/08/22/618050822.db2.gz QXYVYTUQBBHSPA-QGZVFWFLSA-N 0 1 270.376 2.868 20 30 CFEDMN C=CCCCN(CC)CCS(=O)(=O)Cc1ccccc1 ZINC000934645579 618101297 /nfs/dbraw/zinc/10/12/97/618101297.db2.gz UMDQBLQCAZTLDG-UHFFFAOYSA-N 0 1 295.448 2.890 20 30 CFEDMN C#Cc1ccc(NC(=O)c2cn[nH]c2C(C)(C)C)cc1 ZINC000891313163 618120055 /nfs/dbraw/zinc/12/00/55/618120055.db2.gz IQIAFZLXKXRPIV-UHFFFAOYSA-N 0 1 267.332 2.941 20 30 CFEDMN N#Cc1ccc(/C=C/C(=O)c2cc(O)ccc2O)s1 ZINC000156650118 618123522 /nfs/dbraw/zinc/12/35/22/618123522.db2.gz YKIGEIMFOIHVIR-GQCTYLIASA-N 0 1 271.297 2.927 20 30 CFEDMN Cc1nc(C(=O)Nc2cc(C#N)ccc2O)c(C)s1 ZINC000178841503 618147593 /nfs/dbraw/zinc/14/75/93/618147593.db2.gz WKZUUWRRMANLHM-UHFFFAOYSA-N 0 1 273.317 2.590 20 30 CFEDMN N#Cc1ccc(/C=C\C(=O)c2cc(O)ccc2O)s1 ZINC000255574265 618173304 /nfs/dbraw/zinc/17/33/04/618173304.db2.gz YKIGEIMFOIHVIR-XQRVVYSFSA-N 0 1 271.297 2.927 20 30 CFEDMN C=CC[N@H+](CCCOc1cc(C)cc(C)c1)CC(=O)[O-] ZINC000092466959 618180999 /nfs/dbraw/zinc/18/09/99/618180999.db2.gz JSMUVPFCHQJYSB-UHFFFAOYSA-N 0 1 277.364 2.645 20 30 CFEDMN C#CCC1(NCc2csc([C@H](C)OC)n2)CCC1 ZINC000933298127 618192609 /nfs/dbraw/zinc/19/26/09/618192609.db2.gz CEWKLCOTUABQCB-NSHDSACASA-N 0 1 264.394 2.886 20 30 CFEDMN Cn1ncc2c1CC/C(=C/c1cc(F)c(O)c(F)c1)C2=O ZINC000255319441 618195972 /nfs/dbraw/zinc/19/59/72/618195972.db2.gz WWYORPPLBDACLX-WTKPLQERSA-N 0 1 290.269 2.616 20 30 CFEDMN O[C@@H]1CCCC[C@H]1NN=C1CC[C@H]2CNc3cccc1c32 ZINC000901333894 620787556 /nfs/dbraw/zinc/78/75/56/620787556.db2.gz DUOISQZTBCBGKD-SGIREYDYSA-N 0 1 285.391 2.587 20 30 CFEDMN Cc1ccc(C(=O)Nc2cc(C#N)ccc2O)cc1F ZINC000176813430 618204656 /nfs/dbraw/zinc/20/46/56/618204656.db2.gz KOPSZDRXPHCUGJ-UHFFFAOYSA-N 0 1 270.263 2.964 20 30 CFEDMN Cc1ccsc1C(=O)Nc1cc(C#N)ccc1O ZINC000176815649 618204948 /nfs/dbraw/zinc/20/49/48/618204948.db2.gz FKEANQXOCKITGM-UHFFFAOYSA-N 0 1 258.302 2.886 20 30 CFEDMN COc1cc(OC)cc(C(=O)Nc2cc(C#N)ccc2O)c1 ZINC000176822318 618206193 /nfs/dbraw/zinc/20/61/93/618206193.db2.gz HVSHXUNGHBWDLG-UHFFFAOYSA-N 0 1 298.298 2.533 20 30 CFEDMN N#Cc1ccc(O)c(NC(=O)c2cc(F)cc(F)c2)c1 ZINC000176826904 618207404 /nfs/dbraw/zinc/20/74/04/618207404.db2.gz LJXVOGZLYPQUTI-UHFFFAOYSA-N 0 1 274.226 2.794 20 30 CFEDMN Clc1ccsc1C=NNC1=N[C@@H]2CCCC[C@@H]2N1 ZINC000782255599 618213850 /nfs/dbraw/zinc/21/38/50/618213850.db2.gz VNFSRNYARLTTOC-AOOOYVTPSA-N 0 1 282.800 2.595 20 30 CFEDMN C#C[C@@H](C)NCc1cc(Br)ccc1F ZINC000229517639 618216350 /nfs/dbraw/zinc/21/63/50/618216350.db2.gz DIVHWJIXIIYKCA-MRVPVSSYSA-N 0 1 256.118 2.700 20 30 CFEDMN COc1ccc(C(=O)/C=C\c2cnc3ccccn23)c(O)c1 ZINC000255635120 618236160 /nfs/dbraw/zinc/23/61/60/618236160.db2.gz KTYJQJJUOJTIQO-YVMONPNESA-N 0 1 294.310 2.945 20 30 CFEDMN C#C[C@@H](CC)NCc1ccc(Br)cc1OC ZINC000310011547 618255017 /nfs/dbraw/zinc/25/50/17/618255017.db2.gz ISPVMFSQTIGMSJ-LBPRGKRZSA-N 0 1 282.181 2.959 20 30 CFEDMN Cc1ncoc1CN1CCC(Oc2cccc(C#N)c2)CC1 ZINC000893994572 618262063 /nfs/dbraw/zinc/26/20/63/618262063.db2.gz IPGPCRNUYOCITP-UHFFFAOYSA-N 0 1 297.358 2.898 20 30 CFEDMN N#CC1CCN(Cc2cccc3c2NCCC3)CC1 ZINC000893983637 618263629 /nfs/dbraw/zinc/26/36/29/618263629.db2.gz DJUBXWXKNJGAPE-UHFFFAOYSA-N 0 1 255.365 2.780 20 30 CFEDMN C=CC[N@@H+](CC(=O)[O-])Cc1ccc(CC(C)C)cc1 ZINC000094904751 618278791 /nfs/dbraw/zinc/27/87/91/618278791.db2.gz ASMCYOCYLSQJOX-UHFFFAOYSA-N 0 1 261.365 2.958 20 30 CFEDMN C#CC1CC[NH+](C[C@H](C)C(=O)c2ccc([O-])cc2)CC1 ZINC000930822315 618283995 /nfs/dbraw/zinc/28/39/95/618283995.db2.gz VARDIUXJYMANNG-ZDUSSCGKSA-N 0 1 271.360 2.556 20 30 CFEDMN N#CCN(Cc1cc(F)cc(F)c1O)C1CCCC1 ZINC000894040713 618284644 /nfs/dbraw/zinc/28/46/44/618284644.db2.gz VQLUHZNOGXDGLG-UHFFFAOYSA-N 0 1 266.291 2.939 20 30 CFEDMN CC(C)(C)[C@@H]1CCN(Cc2csc(C#N)c2)C[C@@H]1O ZINC000893311446 618304163 /nfs/dbraw/zinc/30/41/63/618304163.db2.gz WZYZNENQPBSDEW-KGLIPLIRSA-N 0 1 278.421 2.849 20 30 CFEDMN C=C(C)C[N@H+]1CCCC[C@@H]1CNC(=O)C1=CCCC1 ZINC001024391965 618309485 /nfs/dbraw/zinc/30/94/85/618309485.db2.gz IVHOVUTYFSLMMH-OAHLLOKOSA-N 0 1 262.397 2.644 20 30 CFEDMN N#Cc1ccc(O)c(NC(=O)/C=C/c2ccc(Cl)nc2)c1 ZINC000179743234 618344799 /nfs/dbraw/zinc/34/47/99/618344799.db2.gz CCUPGLGVVOICNA-ZZXKWVIFSA-N 0 1 299.717 2.964 20 30 CFEDMN C=CC[N@H+](CC(=O)[O-])Cc1ccccc1C(F)(F)F ZINC000092466974 618348127 /nfs/dbraw/zinc/34/81/27/618348127.db2.gz BAJREMJLAABLMO-UHFFFAOYSA-N 0 1 273.254 2.778 20 30 CFEDMN C#CCN1CCCC[C@@H]1CNC(=O)C1CCCCCCC1 ZINC001024545506 618358947 /nfs/dbraw/zinc/35/89/47/618358947.db2.gz JOKGUDULZNSRPN-QGZVFWFLSA-N 0 1 290.451 2.951 20 30 CFEDMN CC#CCN1CCCC[C@@H]1CNC(=O)[C@@H]1C[C@H]1C(C)(C)C ZINC001024550883 618363900 /nfs/dbraw/zinc/36/39/00/618363900.db2.gz ODWGQIBUVAMTRX-BZUAXINKSA-N 0 1 290.451 2.663 20 30 CFEDMN C=CC(C)(C)CC(=O)C(C#N)C(=O)NC1CCCCC1 ZINC000892496539 618387438 /nfs/dbraw/zinc/38/74/38/618387438.db2.gz ZYKKEAOZKJGUFX-ZDUSSCGKSA-N 0 1 276.380 2.746 20 30 CFEDMN COCCCNN=Cc1cc(Cl)c(O)cc1Cl ZINC000794544194 618407043 /nfs/dbraw/zinc/40/70/43/618407043.db2.gz RKTLKZJANMVDFX-UHFFFAOYSA-N 0 1 277.151 2.659 20 30 CFEDMN C=CCN1CCCC[C@H]1CNC(=O)[C@H]1CCCC1(C)C ZINC001024607078 618413926 /nfs/dbraw/zinc/41/39/26/618413926.db2.gz AKSUQPBCLXFPHT-LSDHHAIUSA-N 0 1 278.440 2.969 20 30 CFEDMN C=CCN1CCCC[C@@H]1CNC(=O)[C@@H]1CCCC1(C)C ZINC001024607072 618413942 /nfs/dbraw/zinc/41/39/42/618413942.db2.gz AKSUQPBCLXFPHT-CABCVRRESA-N 0 1 278.440 2.969 20 30 CFEDMN C=CCN1CCCC[C@H]1CNC(=O)[C@@H]1C[C@H]1CC(C)C ZINC001024662465 618436418 /nfs/dbraw/zinc/43/64/18/618436418.db2.gz XYTOSGGXUJPMAV-OWCLPIDISA-N 0 1 278.440 2.825 20 30 CFEDMN C=CCN1CCCC[C@@H]1CNC(=O)c1cc2ccccc2[nH]1 ZINC001024793135 618470463 /nfs/dbraw/zinc/47/04/63/618470463.db2.gz RLUNYFMHTGBNLD-OAHLLOKOSA-N 0 1 297.402 2.938 20 30 CFEDMN C#CCN1CCCC[C@H]1CNC(=O)c1ccc(C)cc1C ZINC001024788922 618471420 /nfs/dbraw/zinc/47/14/20/618471420.db2.gz PHABXLGIRMHTOV-INIZCTEOSA-N 0 1 284.403 2.521 20 30 CFEDMN C=CCN1CCCC[C@H]1CNC(=O)c1ccc2c(c1)CCC2 ZINC001024794525 618473014 /nfs/dbraw/zinc/47/30/14/618473014.db2.gz MLMFXUQHSDZVQE-SFHVURJKSA-N 0 1 298.430 2.946 20 30 CFEDMN Cc1ccc(NN=Cc2ccc(OCC#N)cc2)nc1 ZINC000727260075 618475648 /nfs/dbraw/zinc/47/56/48/618475648.db2.gz OZCYIURRDLXLHH-UHFFFAOYSA-N 0 1 266.304 2.738 20 30 CFEDMN Cc1ccc(N=NCc2ccc(C(=O)NC3CC3)cc2)nc1 ZINC000727260499 618476769 /nfs/dbraw/zinc/47/67/69/618476769.db2.gz YJQJUZOYDOOOJR-UHFFFAOYSA-N 0 1 294.358 2.728 20 30 CFEDMN C#C[C@H]1CCCCN1C(=O)NCc1nc2ccc(C)cc2[nH]1 ZINC000893360147 618480083 /nfs/dbraw/zinc/48/00/83/618480083.db2.gz IVAFXINYSCQYNE-ZDUSSCGKSA-N 0 1 296.374 2.569 20 30 CFEDMN C#CC1(O)CCN([C@H](C)c2ccc(Cl)cc2)CC1 ZINC000895384628 618561069 /nfs/dbraw/zinc/56/10/69/618561069.db2.gz QNTCWQOWKXLNDR-GFCCVEGCSA-N 0 1 263.768 2.861 20 30 CFEDMN C[C@H](CC(C)(C)C#N)N[C@@H](CO)c1ccc(F)cc1F ZINC000895458628 618596274 /nfs/dbraw/zinc/59/62/74/618596274.db2.gz GQJLPMDNQDZBPP-YGRLFVJLSA-N 0 1 282.334 2.916 20 30 CFEDMN C=C[C@H](CO)N[C@H](C)c1csc(C(F)(F)F)c1 ZINC000926728743 618609301 /nfs/dbraw/zinc/60/93/01/618609301.db2.gz WZJROWRPSXQTOA-VXNVDRBHSA-N 0 1 265.300 2.964 20 30 CFEDMN C[C@@H](C#N)OC(=O)c1cccc2nc(C(F)F)[nH]c21 ZINC000924080161 618611960 /nfs/dbraw/zinc/61/19/60/618611960.db2.gz KBMBWESJJYNAAR-LURJTMIESA-N 0 1 265.219 2.569 20 30 CFEDMN C#CCCN1C[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1CCCC[C@@H]1C ZINC001017860990 618674385 /nfs/dbraw/zinc/67/43/85/618674385.db2.gz MIJJKOPHMBXSNP-NXOAAHMSSA-N 0 1 288.435 2.511 20 30 CFEDMN CCCCCCNC(=O)C(C#N)C(=O)[C@@H]1CCCCS1 ZINC000783346334 618711451 /nfs/dbraw/zinc/71/14/51/618711451.db2.gz DSOMCAMHNFJEEZ-STQMWFEESA-N 0 1 296.436 2.677 20 30 CFEDMN Cc1nc([C@@H]2CCCN(c3cc(C)cc(F)c3C#N)C2)n[nH]1 ZINC000892921538 618769666 /nfs/dbraw/zinc/76/96/66/618769666.db2.gz VMTLHZLOFURWAO-GFCCVEGCSA-N 0 1 299.353 2.816 20 30 CFEDMN Cc1nnc([C@@H]2CCCN(c3cc(C)cc(F)c3C#N)C2)[nH]1 ZINC000892921538 618769667 /nfs/dbraw/zinc/76/96/67/618769667.db2.gz VMTLHZLOFURWAO-GFCCVEGCSA-N 0 1 299.353 2.816 20 30 CFEDMN C=CC[C@@H](NCc1ccc(OC)cn1)c1ccncc1 ZINC000892973387 618787843 /nfs/dbraw/zinc/78/78/43/618787843.db2.gz QNGBAFYARMOVMU-MRXNPFEDSA-N 0 1 269.348 2.892 20 30 CFEDMN C=C(Cl)CN[C@H]1CCN(C(=O)c2cccn2C(C)C)C1 ZINC001019781007 618788250 /nfs/dbraw/zinc/78/82/50/618788250.db2.gz ANKRLWPPVNNIHC-ZDUSSCGKSA-N 0 1 295.814 2.626 20 30 CFEDMN C=CCN1CCC[C@H](NC(=O)c2ccc3cnccc3c2)C1 ZINC001009110693 618979326 /nfs/dbraw/zinc/97/93/26/618979326.db2.gz RENNSDRSXUSQOE-KRWDZBQOSA-N 0 1 295.386 2.615 20 30 CFEDMN C=CC[N@H+]1CCC[C@@H](NC(=O)c2cccc(C3CC3)c2)C1 ZINC001009650260 619006517 /nfs/dbraw/zinc/00/65/17/619006517.db2.gz UEGAASFDOZOJGF-QGZVFWFLSA-N 0 1 284.403 2.944 20 30 CFEDMN C=CCN1CCC[C@@H](NC(=O)c2cccc(C3CC3)c2)C1 ZINC001009650260 619006519 /nfs/dbraw/zinc/00/65/19/619006519.db2.gz UEGAASFDOZOJGF-QGZVFWFLSA-N 0 1 284.403 2.944 20 30 CFEDMN COC(=O)c1ccc(CN2CCC(C)(C#N)CC2)cc1C ZINC000893470443 619009470 /nfs/dbraw/zinc/00/94/70/619009470.db2.gz JHJVSLZRHIPDQW-UHFFFAOYSA-N 0 1 286.375 2.907 20 30 CFEDMN CCOC(CN[C@H](C)c1cccc(C#N)c1)OCC ZINC000093447055 619023895 /nfs/dbraw/zinc/02/38/95/619023895.db2.gz BRNOJKPDICFHME-GFCCVEGCSA-N 0 1 262.353 2.608 20 30 CFEDMN C#CCC[N@@H+]1CCC[C@@H](NC(=O)C2(C)C(C)(C)C2(C)C)C1 ZINC001009747345 619024781 /nfs/dbraw/zinc/02/47/81/619024781.db2.gz AWCSRKIPXUTRED-CQSZACIVSA-N 0 1 290.451 2.663 20 30 CFEDMN C[C@H](C#N)CN[C@@H]1C[C@@H](Oc2ccccc2)C1(C)C ZINC000893544091 619057306 /nfs/dbraw/zinc/05/73/06/619057306.db2.gz JIAVYSKKQVGSHA-BPLDGKMQSA-N 0 1 258.365 2.982 20 30 CFEDMN C#CCN(C)[C@H]1CCN(C(=O)c2ccc(C(C)C)s2)C1 ZINC000980507717 619091566 /nfs/dbraw/zinc/09/15/66/619091566.db2.gz MNRFJSMHWVEEHQ-ZDUSSCGKSA-N 0 1 290.432 2.651 20 30 CFEDMN C[C@H](CNC(=O)OC(C)(C)C)NCC#Cc1ccccc1 ZINC000893646535 619142276 /nfs/dbraw/zinc/14/22/76/619142276.db2.gz LGDRBTVOUHNCRW-CQSZACIVSA-N 0 1 288.391 2.541 20 30 CFEDMN C#C[C@@H](NCc1cc(C)nc2c1CCCC2)[C@H]1CCCO1 ZINC000893676871 619153723 /nfs/dbraw/zinc/15/37/23/619153723.db2.gz PCYMDSUOWKECRF-SJLPKXTDSA-N 0 1 284.403 2.539 20 30 CFEDMN Cc1cc(CNCc2ccc(C#N)cn2)c2c(n1)CCCC2 ZINC000893869032 619231587 /nfs/dbraw/zinc/23/15/87/619231587.db2.gz PRTRFVWCAIYONP-UHFFFAOYSA-N 0 1 292.386 2.825 20 30 CFEDMN Cc1cc(F)c(C#N)c(N[C@@H]2CCc3[nH]cnc3C2)c1 ZINC000893914527 619242659 /nfs/dbraw/zinc/24/26/59/619242659.db2.gz NXZUJYNPECPDDB-SNVBAGLBSA-N 0 1 270.311 2.698 20 30 CFEDMN C=CCN(C[C@@H](C)CC(C)(C)C)[C@@H]1CCS(=O)(=O)C1 ZINC000878241294 619258408 /nfs/dbraw/zinc/25/84/08/619258408.db2.gz DKVVHHKHUPYYBQ-UONOGXRCSA-N 0 1 287.469 2.734 20 30 CFEDMN C[C@H](CC(C)(C)C#N)NCc1cn2c(n1)CCCC2 ZINC000924912634 619278952 /nfs/dbraw/zinc/27/89/52/619278952.db2.gz DAUFVOJNFVRMGT-GFCCVEGCSA-N 0 1 260.385 2.637 20 30 CFEDMN C=C(Cl)CN[C@@H]1CN(C(=O)CC(F)(F)F)CC1(C)C ZINC000995522050 625735188 /nfs/dbraw/zinc/73/51/88/625735188.db2.gz JTPUGWUJHVPFPU-SECBINFHSA-N 0 1 298.736 2.518 20 30 CFEDMN C=CCN(C)Cc1c2cc(F)ccc2n(C)c1C(=O)OC ZINC000894495472 619402696 /nfs/dbraw/zinc/40/26/96/619402696.db2.gz ORLLKAAZLUPOFI-UHFFFAOYSA-N 0 1 290.338 2.722 20 30 CFEDMN C#C[C@@H](NCc1cccc2[nH]c(=O)oc21)C(C)(C)C ZINC000894517739 619408169 /nfs/dbraw/zinc/40/81/69/619408169.db2.gz PRVCBBXTUKPWCB-GFCCVEGCSA-N 0 1 258.321 2.671 20 30 CFEDMN C=CC[C@@H](N[C@@H](C)c1ccnnc1)c1ccncc1 ZINC000925075863 619422374 /nfs/dbraw/zinc/42/23/74/619422374.db2.gz SASXZKAHTJVBOG-SWLSCSKDSA-N 0 1 254.337 2.840 20 30 CFEDMN Cn1ncc(CNCc2ccc(C#N)c(F)c2)c1C1CC1 ZINC000894776103 619461611 /nfs/dbraw/zinc/46/16/11/619461611.db2.gz UXZAQRUZRRGDHQ-UHFFFAOYSA-N 0 1 284.338 2.598 20 30 CFEDMN CC[C@H](C#N)Oc1cccc(CNCc2cc(C)nn2C)c1 ZINC000841864401 619463541 /nfs/dbraw/zinc/46/35/41/619463541.db2.gz LLKCANNFVRUDIU-MRXNPFEDSA-N 0 1 298.390 2.699 20 30 CFEDMN Cc1cc(C#N)cc(C)c1CN1CC(C(F)F)C1 ZINC000894828945 619475424 /nfs/dbraw/zinc/47/54/24/619475424.db2.gz UVFONRJNOODOKP-UHFFFAOYSA-N 0 1 250.292 2.872 20 30 CFEDMN C[C@@H](NN=Cc1cc(O)ccc1[N+](=O)[O-])C(C)(C)C ZINC000793117019 619511223 /nfs/dbraw/zinc/51/12/23/619511223.db2.gz WHWDSXNHVFMLSN-SECBINFHSA-N 0 1 265.313 2.659 20 30 CFEDMN C#CC[C@H]1CCN(Cc2c(Cl)n[nH]c2C2CC2)C1 ZINC000895563277 619555950 /nfs/dbraw/zinc/55/59/50/619555950.db2.gz ZBZYIRROENIXMS-JTQLQIEISA-N 0 1 263.772 2.786 20 30 CFEDMN C#CC[C@H]1CC[N@H+](Cc2[nH]cc(C(=O)OC)c2C2CC2)C1 ZINC000895562477 619556288 /nfs/dbraw/zinc/55/62/88/619556288.db2.gz HRMLXMLVQFOZCE-LBPRGKRZSA-N 0 1 286.375 2.524 20 30 CFEDMN N#Cc1cnc(Cl)c(CNC[C@H]2CCC3(CCC3)O2)c1 ZINC000895676681 619580225 /nfs/dbraw/zinc/58/02/25/619580225.db2.gz BGDHMEBKRMXCLD-CYBMUJFWSA-N 0 1 291.782 2.798 20 30 CFEDMN C#CC1(NCc2csc(C(=O)OC)c2)CCCC1 ZINC000895677903 619580666 /nfs/dbraw/zinc/58/06/66/619580666.db2.gz SYTRDPCYBIMCKA-UHFFFAOYSA-N 0 1 263.362 2.570 20 30 CFEDMN COC(=O)c1oc(CN[C@H](C)CC(C)(C)C#N)cc1C ZINC000895761349 619601549 /nfs/dbraw/zinc/60/15/49/619601549.db2.gz XOYDEXYWPFXMEQ-LLVKDONJSA-N 0 1 278.352 2.793 20 30 CFEDMN C#CCN1CCC(Nc2cnc(-c3ccccc3)cn2)CC1 ZINC000895811020 619609997 /nfs/dbraw/zinc/60/99/97/619609997.db2.gz DFQZGIHYMMZAGS-UHFFFAOYSA-N 0 1 292.386 2.653 20 30 CFEDMN C#CCN1CCC(Nc2ccc3ccc(OC)cc3n2)CC1 ZINC000895810630 619610263 /nfs/dbraw/zinc/61/02/63/619610263.db2.gz HHELVFUTJCSFDE-UHFFFAOYSA-N 0 1 295.386 2.753 20 30 CFEDMN C#CCN1CCC(Nc2ccc(C(F)(F)F)cn2)CC1 ZINC000895804364 619611949 /nfs/dbraw/zinc/61/19/49/619611949.db2.gz PMJVLTOFZNZSGI-UHFFFAOYSA-N 0 1 283.297 2.610 20 30 CFEDMN C#CCN1CCC(Nc2cc3ccc(F)cc3cn2)CC1 ZINC000895812012 619613380 /nfs/dbraw/zinc/61/33/80/619613380.db2.gz YLCMFMSEAQGBMW-UHFFFAOYSA-N 0 1 283.350 2.883 20 30 CFEDMN N#Cc1c(F)cccc1CN[C@H](CO)CCc1ccccc1 ZINC000896519641 619755641 /nfs/dbraw/zinc/75/56/41/619755641.db2.gz WAQZAQMNVFEASD-INIZCTEOSA-N 0 1 298.361 2.781 20 30 CFEDMN C=CCc1cc(CN2CCO[C@H](C)CC2)cc(OC)c1O ZINC000896583717 619766542 /nfs/dbraw/zinc/76/65/42/619766542.db2.gz FXGWTCBEBVTUTL-CYBMUJFWSA-N 0 1 291.391 2.740 20 30 CFEDMN COC(=O)c1cc(CNCc2ccc(C)c(C#N)c2)[nH]c1C ZINC000896880373 619855730 /nfs/dbraw/zinc/85/57/30/619855730.db2.gz AVJGVLCXJMTSLI-UHFFFAOYSA-N 0 1 297.358 2.580 20 30 CFEDMN C=C(C)CN1CCC[C@H](NC(=O)[C@H]2[C@@H]3CCCC[C@@H]32)C1 ZINC001007008264 619867546 /nfs/dbraw/zinc/86/75/46/619867546.db2.gz XKXATMSXXBWQMH-CAOSSQGBSA-N 0 1 276.424 2.579 20 30 CFEDMN C=C(C)CN1CCC[C@@H](NC(=O)[C@H]2[C@@H]3CCCC[C@@H]32)C1 ZINC001007008268 619867755 /nfs/dbraw/zinc/86/77/55/619867755.db2.gz XKXATMSXXBWQMH-WCVJEAGWSA-N 0 1 276.424 2.579 20 30 CFEDMN CN(Cc1cc(C#N)cs1)c1nc(N)nc2c1CCCC2 ZINC000896921959 619890000 /nfs/dbraw/zinc/89/00/00/619890000.db2.gz VNRSULWBKQRXLO-UHFFFAOYSA-N 0 1 299.403 2.507 20 30 CFEDMN C[C@H](CCC#N)CN1CCn2nc(C3CC3)cc2C1 ZINC000896939203 619900797 /nfs/dbraw/zinc/90/07/97/619900797.db2.gz BFUKALLHKXLYFN-GFCCVEGCSA-N 0 1 258.369 2.516 20 30 CFEDMN CC#CCN(C)Cc1ccc(O[C@@H](C)COC)cc1 ZINC000897169044 619943651 /nfs/dbraw/zinc/94/36/51/619943651.db2.gz KZKMLUHLXMJCLN-AWEZNQCLSA-N 0 1 261.365 2.555 20 30 CFEDMN C=C(Cl)CN(C)C1CCN(C(=O)c2cc[nH]c2C)CC1 ZINC000985364067 619964775 /nfs/dbraw/zinc/96/47/75/619964775.db2.gz BIXKWOWIXZTJLT-UHFFFAOYSA-N 0 1 295.814 2.612 20 30 CFEDMN C=C(Cl)CN(C)C1CCN(C(=O)C2CC(C)C2)CC1 ZINC000985362348 619965156 /nfs/dbraw/zinc/96/51/56/619965156.db2.gz HRRQEBKZDCZXLI-UHFFFAOYSA-N 0 1 284.831 2.708 20 30 CFEDMN CC1(C)CCCC[C@@H]1CC(=O)C(C#N)C(=O)N1CCCC1 ZINC000152163458 620005591 /nfs/dbraw/zinc/00/55/91/620005591.db2.gz GOSGIDNKYGZIFO-KGLIPLIRSA-N 0 1 290.407 2.924 20 30 CFEDMN C=C(Cl)CN(C)C1CCN(C(=O)C[C@H]2C[C@@H]2C)CC1 ZINC000985629768 620014553 /nfs/dbraw/zinc/01/45/53/620014553.db2.gz NPQXHZKRBPLMFW-WCQYABFASA-N 0 1 284.831 2.708 20 30 CFEDMN C=C(Cl)CN[C@@H]1CCN(C(=O)c2ccc(F)cc2)[C@@H]1C ZINC000985875556 620047198 /nfs/dbraw/zinc/04/71/98/620047198.db2.gz METNJZQAVBVPED-BXUZGUMPSA-N 0 1 296.773 2.771 20 30 CFEDMN C=C(Cl)CN[C@@H]1CCN(C(=O)c2ccccc2)[C@H]1C ZINC000985904614 620051336 /nfs/dbraw/zinc/05/13/36/620051336.db2.gz ZOKZOOKOWYGPAS-GXTWGEPZSA-N 0 1 278.783 2.632 20 30 CFEDMN C=C(Cl)CN[C@@H]1CCN(C(=O)/C=C(/C)C2CC2)[C@@H]1C ZINC000985995422 620057139 /nfs/dbraw/zinc/05/71/39/620057139.db2.gz PAGJZZKGRICLSX-CXJYXFFVSA-N 0 1 282.815 2.674 20 30 CFEDMN C=CCCCC[C@@H](C)NCc1noc2c1COCC2 ZINC000897365936 620063932 /nfs/dbraw/zinc/06/39/32/620063932.db2.gz IDOSQQCMCAFRMT-GFCCVEGCSA-N 0 1 264.369 2.972 20 30 CFEDMN C=C(Cl)CN[C@@H]1CCN(C(=O)CCC2CCC2)[C@H]1C ZINC000986116912 620068668 /nfs/dbraw/zinc/06/86/68/620068668.db2.gz QDOITTLKEGNFOM-GXTWGEPZSA-N 0 1 284.831 2.898 20 30 CFEDMN C=C(Cl)CN[C@H]1CCN(C(=O)CCC2CCC2)[C@@H]1C ZINC000986116916 620068685 /nfs/dbraw/zinc/06/86/85/620068685.db2.gz QDOITTLKEGNFOM-OCCSQVGLSA-N 0 1 284.831 2.898 20 30 CFEDMN C=C(Cl)CN[C@H]1CCN(C(=O)C(C)=C2CCC2)[C@H]1C ZINC000986266163 620077804 /nfs/dbraw/zinc/07/78/04/620077804.db2.gz LKBKZDJGXDLMCK-JSGCOSHPSA-N 0 1 282.815 2.818 20 30 CFEDMN C=C(Cl)CN[C@H]1CCN(C(=O)c2[nH]c(C)cc2C)[C@H]1C ZINC000986414771 620081440 /nfs/dbraw/zinc/08/14/40/620081440.db2.gz LRRUELSQPSNEHR-STQMWFEESA-N 0 1 295.814 2.577 20 30 CFEDMN C=C(Cl)CN[C@H]1CCN(C(=O)Cc2ccccc2)[C@H]1C ZINC000986437471 620082159 /nfs/dbraw/zinc/08/21/59/620082159.db2.gz OZWXJMWBVGNYIM-ZFWWWQNUSA-N 0 1 292.810 2.561 20 30 CFEDMN C=C[C@](C)(CC)C(=O)Nc1cc(C(=O)OC(C)C)[nH]n1 ZINC000888119281 620122534 /nfs/dbraw/zinc/12/25/34/620122534.db2.gz ZWICWUFHVKJFPC-CQSZACIVSA-N 0 1 279.340 2.516 20 30 CFEDMN C=C[C@@](C)(CC)C(=O)Nc1cc(C(=O)OC(C)C)[nH]n1 ZINC000888119280 620122740 /nfs/dbraw/zinc/12/27/40/620122740.db2.gz ZWICWUFHVKJFPC-AWEZNQCLSA-N 0 1 279.340 2.516 20 30 CFEDMN C=C(Cl)CN[C@@H]1C[C@@H](C)N(C(=O)C2CCCC2)C1 ZINC000987733583 620152012 /nfs/dbraw/zinc/15/20/12/620152012.db2.gz ZGEIQMYNLCZFMQ-DGCLKSJQSA-N 0 1 270.804 2.508 20 30 CFEDMN CC(C)CC(=O)N1C[C@H](NCc2ccccc2C#N)C[C@@H]1C ZINC000987865621 620157634 /nfs/dbraw/zinc/15/76/34/620157634.db2.gz IVMPKNBZKNEKEF-WMLDXEAASA-N 0 1 299.418 2.683 20 30 CFEDMN C=C(Cl)CN[C@H]1C[C@@H](C)N(C(=O)c2ccc(C)o2)C1 ZINC000987951024 620159398 /nfs/dbraw/zinc/15/93/98/620159398.db2.gz KIYGJIUHNZPOPK-PWSUYJOCSA-N 0 1 282.771 2.533 20 30 CFEDMN C=C(Cl)CN[C@@H]1C[C@H](C)N(C(=O)CC2CCC2)C1 ZINC000988482621 620190572 /nfs/dbraw/zinc/19/05/72/620190572.db2.gz UMYTVBNJOYFFHM-WCQYABFASA-N 0 1 270.804 2.508 20 30 CFEDMN CCc1nn(C)cc1/C=C\C(=O)c1cc(F)ccc1O ZINC000263633727 620197117 /nfs/dbraw/zinc/19/71/17/620197117.db2.gz QTIIGSTXIMCRDZ-XQRVVYSFSA-N 0 1 274.295 2.723 20 30 CFEDMN C#C[C@H]([NH2+][C@@H](C)c1ccc(Cl)cc1[O-])[C@@H]1CCCO1 ZINC000841751216 620217084 /nfs/dbraw/zinc/21/70/84/620217084.db2.gz GAZUPLIVJYEXOP-XEGUGMAKSA-N 0 1 279.767 2.877 20 30 CFEDMN CCc1ccc(CN2CCC3(CC2)CC(=O)C=CO3)o1 ZINC000897602206 620256402 /nfs/dbraw/zinc/25/64/02/620256402.db2.gz JAVISBMTHWKAOV-UHFFFAOYSA-N 0 1 275.348 2.680 20 30 CFEDMN C[C@@H](NCc1nc(C#N)cs1)[C@@H]1COc2ccccc2C1 ZINC000897626053 620262183 /nfs/dbraw/zinc/26/21/83/620262183.db2.gz LFKYSOQLBHWNCR-YPMHNXCESA-N 0 1 299.399 2.744 20 30 CFEDMN C=CCOc1ccc(CN2C[C@@H](C)[C@@H](O)C2)cc1Cl ZINC000897683226 620271004 /nfs/dbraw/zinc/27/10/04/620271004.db2.gz BHQBANYRQJLJIR-RISCZKNCSA-N 0 1 281.783 2.717 20 30 CFEDMN CC(C)(C)N1CC[C@H]1C(=O)NC1(c2cccc(C#N)c2)CC1 ZINC000897697757 620272438 /nfs/dbraw/zinc/27/24/38/620272438.db2.gz BETAPFXQFXSHEJ-HNNXBMFYSA-N 0 1 297.402 2.536 20 30 CFEDMN C=C(C)CN1CCCN(C(=O)[C@H](C)c2ccccc2)CC1 ZINC000989513161 620380210 /nfs/dbraw/zinc/38/02/10/620380210.db2.gz YQRBUHBNLNEFJT-MRXNPFEDSA-N 0 1 286.419 2.901 20 30 CFEDMN C=CCN1CCCN(C(=O)c2cc(C)c(F)c(C)c2)CC1 ZINC000989693208 620386135 /nfs/dbraw/zinc/38/61/35/620386135.db2.gz UDQPKEUNXAHOHB-UHFFFAOYSA-N 0 1 290.382 2.776 20 30 CFEDMN C=CCN1CCCN(C(=O)[C@H]2CCCC(C)(C)C2)CC1 ZINC000989758483 620390036 /nfs/dbraw/zinc/39/00/36/620390036.db2.gz OIVQMVJKUQXFKU-HNNXBMFYSA-N 0 1 278.440 2.923 20 30 CFEDMN C#CCCN1CCCN(C(=O)c2ccoc2C(C)C)CC1 ZINC000989770653 620391839 /nfs/dbraw/zinc/39/18/39/620391839.db2.gz HJJZEVYMYLWSEH-UHFFFAOYSA-N 0 1 288.391 2.574 20 30 CFEDMN C=CCCN1CCCN(C(=O)c2ccc(F)s2)CC1 ZINC000989782151 620392154 /nfs/dbraw/zinc/39/21/54/620392154.db2.gz BJHJDJJITMOWRG-UHFFFAOYSA-N 0 1 282.384 2.611 20 30 CFEDMN C=CCN1CC[C@@]2(NC(=O)c3sccc3C)CCC[C@@H]12 ZINC000989909179 620401502 /nfs/dbraw/zinc/40/15/02/620401502.db2.gz CZPYQYZHSPYHEQ-CJNGLKHVSA-N 0 1 290.432 2.969 20 30 CFEDMN C#CC[N@H+]1CC[C@]2(NC(=O)C=C3CCCCC3)CCC[C@H]12 ZINC000989998592 620407277 /nfs/dbraw/zinc/40/72/77/620407277.db2.gz GIUUVEDEYYYQKU-FUHWJXTLSA-N 0 1 286.419 2.623 20 30 CFEDMN Cc1ccc(COC(=O)[C@@H]2CCCN2C(C)C)cc1C#N ZINC000923891446 620443150 /nfs/dbraw/zinc/44/31/50/620443150.db2.gz MOKUHXXLEXUVRC-INIZCTEOSA-N 0 1 286.375 2.783 20 30 CFEDMN CN(C)Cc1cnc(/C=C/c2nc(C#N)cs2)s1 ZINC000901543919 620860265 /nfs/dbraw/zinc/86/02/65/620860265.db2.gz KUZVAFWEGUIUMM-ONEGZZNKSA-N 0 1 276.390 2.703 20 30 CFEDMN C=CC[N@@H+](CC(=O)[O-])Cc1ccc(Cl)c(C)c1 ZINC000901586555 620862675 /nfs/dbraw/zinc/86/26/75/620862675.db2.gz NNGIZQCKHFBULC-UHFFFAOYSA-N 0 1 253.729 2.721 20 30 CFEDMN C=CC[N@@H+](CC(=O)[O-])Cc1ccc(OC)c(OCCC)c1 ZINC000901585944 620862742 /nfs/dbraw/zinc/86/27/42/620862742.db2.gz FTTGENUKRACUNS-UHFFFAOYSA-N 0 1 293.363 2.557 20 30 CFEDMN C=CC[N@@H+](CC(=O)[O-])Cc1cc(C)c2ncccc2c1 ZINC000901587359 620862998 /nfs/dbraw/zinc/86/29/98/620862998.db2.gz XVMAKHBAEKEKIG-UHFFFAOYSA-N 0 1 270.332 2.616 20 30 CFEDMN C=CCOc1cccc(C[N@@H+]2CCC[C@](C)(C(=O)[O-])C2)c1 ZINC000901698559 620898052 /nfs/dbraw/zinc/89/80/52/620898052.db2.gz HXERXNPTQYYMRO-KRWDZBQOSA-N 0 1 289.375 2.938 20 30 CFEDMN C=CCCC[C@H](C)[NH2+]C1CCN(CCCC(=O)[O-])CC1 ZINC000902262337 621009383 /nfs/dbraw/zinc/00/93/83/621009383.db2.gz IGZFRODEEGRVDV-AWEZNQCLSA-N 0 1 282.428 2.650 20 30 CFEDMN C#CC[C@@H]1CCC[N@H+](Cc2ccc(/C=C\C(=O)[O-])o2)C1 ZINC000902441969 621081095 /nfs/dbraw/zinc/08/10/95/621081095.db2.gz DQKAZWNLBXPISF-LJTDUEICSA-N 0 1 273.332 2.613 20 30 CFEDMN C=CC[C@H]1[N@H+](Cc2cc(C(=O)[O-])no2)CCCC1(C)C ZINC000902545862 621124233 /nfs/dbraw/zinc/12/42/33/621124233.db2.gz MWRTYSZHVOJGDC-CYBMUJFWSA-N 0 1 278.352 2.940 20 30 CFEDMN C=CCCCN(CC)Cn1cc(C(=O)OCC)c(C)n1 ZINC000902670023 621148290 /nfs/dbraw/zinc/14/82/90/621148290.db2.gz XGPOFIQOOXYPAW-UHFFFAOYSA-N 0 1 279.384 2.614 20 30 CFEDMN C#CCCCCCCSc1nc2n[nH]cc2c(=O)[nH]1 ZINC000902696119 621149368 /nfs/dbraw/zinc/14/93/68/621149368.db2.gz YDYQREINLMFRMZ-UHFFFAOYSA-N 0 1 276.365 2.734 20 30 CFEDMN CC[C@H](C)c1nc([C@@H](C)N[C@@H](C)c2cc(C#N)ccn2)n[nH]1 ZINC000902969321 621211649 /nfs/dbraw/zinc/21/16/49/621211649.db2.gz DDRBHVOTGWFJLQ-SDDRHHMPSA-N 0 1 298.394 2.997 20 30 CFEDMN C[C@@H](NCC1(C(F)(F)F)CC1)c1cc(C#N)ccn1 ZINC000902988458 621218662 /nfs/dbraw/zinc/21/86/62/621218662.db2.gz UVNUOAZEPJQPOS-SECBINFHSA-N 0 1 269.270 2.946 20 30 CFEDMN C[C@H]1CCN(C(=O)OC(C)(C)C)C[C@@H]1NCC1(C#N)CC1 ZINC000903105600 621255134 /nfs/dbraw/zinc/25/51/34/621255134.db2.gz FJQJQGZDINQCPK-STQMWFEESA-N 0 1 293.411 2.525 20 30 CFEDMN N#CC1(CN[C@H](c2nnc[nH]2)c2ccccc2)CCCC1 ZINC000903109522 621256418 /nfs/dbraw/zinc/25/64/18/621256418.db2.gz QRYNGLHZHDLRKS-AWEZNQCLSA-N 0 1 281.363 2.568 20 30 CFEDMN C[C@@H](NCC1(C#N)CCC1)C1(NC(=O)OC(C)(C)C)CC1 ZINC000903191722 621280514 /nfs/dbraw/zinc/28/05/14/621280514.db2.gz DWPDIAHZGAEEKT-GFCCVEGCSA-N 0 1 293.411 2.716 20 30 CFEDMN C=CCC[C@H](NCc1nc(C#N)cs1)[C@@H]1CCCO1 ZINC000903265133 621305308 /nfs/dbraw/zinc/30/53/08/621305308.db2.gz XWZRFYFAOWLDCU-STQMWFEESA-N 0 1 277.393 2.618 20 30 CFEDMN C=CC[C@@H](C)[C@H](C)NCc1ncc(Br)cn1 ZINC000903319389 621321563 /nfs/dbraw/zinc/32/15/63/621321563.db2.gz QONNGKXBVPLRFG-ZJUUUORDSA-N 0 1 284.201 2.929 20 30 CFEDMN Cc1cc(C#N)cc(C)c1C[N@@H+]1C[C@H](C(=O)[O-])C[C@H](C)C1 ZINC000903407756 621363445 /nfs/dbraw/zinc/36/34/45/621363445.db2.gz LAGWEJAHIURWOU-XHDPSFHLSA-N 0 1 286.375 2.718 20 30 CFEDMN CC[C@H](C(=O)[O-])[N@@H+](C)CCCCC1(C#N)CCC1 ZINC000903702390 621421722 /nfs/dbraw/zinc/42/17/22/621421722.db2.gz AVWFIGLZDFCJAZ-GFCCVEGCSA-N 0 1 252.358 2.646 20 30 CFEDMN CCCC(C#N)(CCC)NC(=O)[C@H]1CCCN1C(C)C ZINC000903875478 621462869 /nfs/dbraw/zinc/46/28/69/621462869.db2.gz GRAZEXAQZHVHET-CQSZACIVSA-N 0 1 279.428 2.838 20 30 CFEDMN C=C(C)C[N@H+](CC)[C@H](CCc1ccccc1)C(=O)[O-] ZINC000903885793 621464773 /nfs/dbraw/zinc/46/47/73/621464773.db2.gz SGGAHEBMMUOTBO-OAHLLOKOSA-N 0 1 261.365 2.970 20 30 CFEDMN C=C(CC)C[N@H+]1CC[C@@H](c2ncc(C(=O)[O-])s2)C1 ZINC000903923740 621474324 /nfs/dbraw/zinc/47/43/24/621474324.db2.gz ATROLNUJDXJCHB-SNVBAGLBSA-N 0 1 266.366 2.597 20 30 CFEDMN CC(C)N(C)CC(=O)N(O)Cc1cccc2ccccc21 ZINC000904170042 621540759 /nfs/dbraw/zinc/54/07/59/621540759.db2.gz DFGPWWMGJGFHJL-UHFFFAOYSA-N 0 1 286.375 2.898 20 30 CFEDMN CC[C@H](C(=O)N(O)Cc1cccc2ccccc21)N(C)C ZINC000904170943 621541331 /nfs/dbraw/zinc/54/13/31/621541331.db2.gz HEPYXBCXORAQDH-MRXNPFEDSA-N 0 1 286.375 2.898 20 30 CFEDMN c1ccc2ncc(CNN=C3C[C@H]4CCC[N@H+](C3)C4)cc2c1 ZINC000905450853 621768202 /nfs/dbraw/zinc/76/82/02/621768202.db2.gz GDXPKTGZFURRIZ-CQSZACIVSA-N 0 1 294.402 2.796 20 30 CFEDMN c1ccc2ncc(CNN=C3C[C@H]4CCCN(C3)C4)cc2c1 ZINC000905450853 621768206 /nfs/dbraw/zinc/76/82/06/621768206.db2.gz GDXPKTGZFURRIZ-CQSZACIVSA-N 0 1 294.402 2.796 20 30 CFEDMN CCOCc1nc(C)cc(NN=Cc2csc(C)n2)n1 ZINC000905506153 621783159 /nfs/dbraw/zinc/78/31/59/621783159.db2.gz HZRDRLUJDZYOTI-UHFFFAOYSA-N 0 1 291.380 2.532 20 30 CFEDMN CC(C)(C)OC(=O)N1CCCCC[C@@H]1CNCCC#N ZINC000905689134 621818583 /nfs/dbraw/zinc/81/85/83/621818583.db2.gz KVIFSTFXQBRVPI-CYBMUJFWSA-N 0 1 281.400 2.669 20 30 CFEDMN N#CCCNCC1(c2ccccc2)CC(O)(C(F)(F)F)C1 ZINC000905693231 621829013 /nfs/dbraw/zinc/82/90/13/621829013.db2.gz BLIWVEIUOHPFJN-UHFFFAOYSA-N 0 1 298.308 2.515 20 30 CFEDMN C=C1CCC(C[NH2+]C2CCN(CCCC(=O)[O-])CC2)CC1 ZINC000905731281 621838633 /nfs/dbraw/zinc/83/86/33/621838633.db2.gz SZWBRHZFGWWYBA-UHFFFAOYSA-N 0 1 294.439 2.652 20 30 CFEDMN C=CCNC(=O)[C@H](C)N[C@@H](CC)c1cc(F)ccc1OC ZINC000905861524 621881107 /nfs/dbraw/zinc/88/11/07/621881107.db2.gz HRQBQAHKDDNOLJ-FZMZJTMJSA-N 0 1 294.370 2.566 20 30 CFEDMN CCc1nc[nH]c1C(=O)N(CCC#N)c1ccc(F)cc1 ZINC000906620918 622017464 /nfs/dbraw/zinc/01/74/64/622017464.db2.gz CABLPYNRDXALCL-UHFFFAOYSA-N 0 1 286.310 2.672 20 30 CFEDMN CCNc1ccc(C#N)cc1NC(=O)c1[nH]cnc1CC ZINC000906983797 622072216 /nfs/dbraw/zinc/07/22/16/622072216.db2.gz KIILJUMZCHTXHP-UHFFFAOYSA-N 0 1 283.335 2.528 20 30 CFEDMN CC(C)(C(=O)N1CCc2ccc(C#N)cc21)N1CCCCC1 ZINC000907135661 622089803 /nfs/dbraw/zinc/08/98/03/622089803.db2.gz BFHWYSOEVMYXBF-UHFFFAOYSA-N 0 1 297.402 2.712 20 30 CFEDMN C=CCC(F)(F)C(=O)NCc1cc(C(F)(F)F)on1 ZINC000908731560 622268635 /nfs/dbraw/zinc/26/86/35/622268635.db2.gz GUXSPCJQGBMUNO-UHFFFAOYSA-N 0 1 284.184 2.521 20 30 CFEDMN C#CC[C@H]1CCCN(C(=O)c2n[nH]c(C)c2C(F)(F)F)C1 ZINC000911514960 622525766 /nfs/dbraw/zinc/52/57/66/622525766.db2.gz POQMGCZSQQPMBK-JTQLQIEISA-N 0 1 299.296 2.612 20 30 CFEDMN CCCCCCCCC(=O)N1CC[C@H](c2nc[nH]n2)C1 ZINC000819719806 622547536 /nfs/dbraw/zinc/54/75/36/622547536.db2.gz HPGDGIDQAHVHKD-ZDUSSCGKSA-N 0 1 278.400 2.871 20 30 CFEDMN CCCCCCCCCNC(=O)c1conc1CN ZINC000912112989 622630426 /nfs/dbraw/zinc/63/04/26/622630426.db2.gz KHGAKZFWCRBECF-UHFFFAOYSA-N 0 1 267.373 2.614 20 30 CFEDMN N#CC1(COC(=O)c2cc3[nH]cnc3cc2F)CCCC1 ZINC000820545431 622699674 /nfs/dbraw/zinc/69/96/74/622699674.db2.gz GKDVFARTWRNPAV-UHFFFAOYSA-N 0 1 287.294 2.943 20 30 CFEDMN Cn1cc(C(=O)Nc2cc(C#N)ccc2O)c(C2CCC2)n1 ZINC000840405420 622717922 /nfs/dbraw/zinc/71/79/22/622717922.db2.gz MPIAMNIBYBBOTP-UHFFFAOYSA-N 0 1 296.330 2.517 20 30 CFEDMN C#CC[C@@H](CO)NCc1ccc(-c2ccccc2F)o1 ZINC000821207185 622868129 /nfs/dbraw/zinc/86/81/29/622868129.db2.gz LQPYODABTQNVPL-LBPRGKRZSA-N 0 1 273.307 2.560 20 30 CFEDMN C=C(C)C(C)(C)C(=O)OCc1nnc(C(C)(C)C)[nH]1 ZINC000821258443 622879222 /nfs/dbraw/zinc/87/92/22/622879222.db2.gz GLGZDEURSRNJLD-UHFFFAOYSA-N 0 1 265.357 2.748 20 30 CFEDMN C=C(C)C(C)(C)C(=O)OCc1n[nH]c(C(C)(C)C)n1 ZINC000821258443 622879228 /nfs/dbraw/zinc/87/92/28/622879228.db2.gz GLGZDEURSRNJLD-UHFFFAOYSA-N 0 1 265.357 2.748 20 30 CFEDMN N#CCCCC(=O)N1CCc2nc[nH]c2[C@H]1c1ccccc1 ZINC000913510346 622909268 /nfs/dbraw/zinc/90/92/68/622909268.db2.gz IRRJHXWYBYOISL-QGZVFWFLSA-N 0 1 294.358 2.578 20 30 CFEDMN C=CCc1cc(CN2CCO[C@H](C)[C@H]2C)c(O)c(OC)c1 ZINC000164514671 622958415 /nfs/dbraw/zinc/95/84/15/622958415.db2.gz FMERKMANNOZEEN-CHWSQXEVSA-N 0 1 291.391 2.739 20 30 CFEDMN CC(C)NC(=O)C(C#N)C(=O)[C@@H]1CC[C@@H]2CCCC[C@@H]2C1 ZINC000165549140 622992799 /nfs/dbraw/zinc/99/27/99/622992799.db2.gz JWLFYJUEZQWKDV-GBJTYRQASA-N 0 1 290.407 2.826 20 30 CFEDMN N#CC(C(=O)Cc1ccc(F)cc1)c1ccccn1 ZINC000046439797 623074610 /nfs/dbraw/zinc/07/46/10/623074610.db2.gz MZXFLYATLOMPPZ-ZDUSSCGKSA-N 0 1 254.264 2.640 20 30 CFEDMN N#Cc1cnc(Cl)c(CN[C@H]2CCC(F)(F)C2)c1 ZINC000877106178 623075942 /nfs/dbraw/zinc/07/59/42/623075942.db2.gz VQFVLPMHBRJWPT-JTQLQIEISA-N 0 1 271.698 2.884 20 30 CFEDMN C=C(Br)CNCc1cc(F)ccc1O ZINC000226607483 623083670 /nfs/dbraw/zinc/08/36/70/623083670.db2.gz AWDONVGVNGYYTI-UHFFFAOYSA-N 0 1 260.106 2.530 20 30 CFEDMN N#Cc1cccc(C[N@H+]2[C@H](C(=O)[O-])C[C@@H]3CCCC[C@@H]32)c1 ZINC000227220995 623100665 /nfs/dbraw/zinc/10/06/65/623100665.db2.gz DVEOLIVECKCMQP-JYJNAYRXSA-N 0 1 284.359 2.776 20 30 CFEDMN C#CCOc1ccc(CN2CC(CC(F)F)C2)cc1 ZINC000822520431 623119811 /nfs/dbraw/zinc/11/98/11/623119811.db2.gz BDBWBDOUJPCRSK-UHFFFAOYSA-N 0 1 265.303 2.786 20 30 CFEDMN CC(C)NC(=O)C(C#N)C(=O)C[C@@H](C)c1ccccc1F ZINC000170672995 623172998 /nfs/dbraw/zinc/17/29/98/623172998.db2.gz ILXPRKIRGNIAHW-YPMHNXCESA-N 0 1 290.338 2.553 20 30 CFEDMN CC(C)NC(=O)C(C#N)C(=O)C[C@H](C)c1ccccc1F ZINC000170673000 623173159 /nfs/dbraw/zinc/17/31/59/623173159.db2.gz ILXPRKIRGNIAHW-AAEUAGOBSA-N 0 1 290.338 2.553 20 30 CFEDMN C#C[C@H](C)NCc1cc(Br)ccc1F ZINC000229517651 623209874 /nfs/dbraw/zinc/20/98/74/623209874.db2.gz DIVHWJIXIIYKCA-QMMMGPOBSA-N 0 1 256.118 2.700 20 30 CFEDMN C#C[C@@H](CC)[NH2+]Cc1cc(Br)ccc1[O-] ZINC000229880060 623230527 /nfs/dbraw/zinc/23/05/27/623230527.db2.gz ISMSEYQSMPDFOE-NSHDSACASA-N 0 1 268.154 2.656 20 30 CFEDMN C#CCOc1ccccc1CN(C)CCOCC1CC1 ZINC000172796227 623310411 /nfs/dbraw/zinc/31/04/11/623310411.db2.gz QKDCHLOMTXQEER-UHFFFAOYSA-N 0 1 273.376 2.557 20 30 CFEDMN COC(=O)/C(C)=C\CN(C)[C@H](C)c1cccc(C#N)c1 ZINC000823617532 623362315 /nfs/dbraw/zinc/36/23/15/623362315.db2.gz JZOWVLJXUWSCHW-LLBKUYECSA-N 0 1 272.348 2.670 20 30 CFEDMN Cc1cccc(NC(=O)C(C#N)C(=O)CC2CCC2)c1 ZINC000173964124 623377943 /nfs/dbraw/zinc/37/79/43/623377943.db2.gz CHQFZCTZKZZYMG-AWEZNQCLSA-N 0 1 270.332 2.833 20 30 CFEDMN N#Cc1ccc(OCCNCc2cccnc2Cl)cc1 ZINC000174558485 623427976 /nfs/dbraw/zinc/42/79/76/623427976.db2.gz VEMISLTXCOUCRW-UHFFFAOYSA-N 0 1 287.750 2.775 20 30 CFEDMN C=C1CCC(C(=O)N[C@@]23CCC[C@@H]2N(CCF)CC3)CC1 ZINC000992152813 623470584 /nfs/dbraw/zinc/47/05/84/623470584.db2.gz NIWIXGQCAZFQFN-DOTOQJQBSA-N 0 1 294.414 2.816 20 30 CFEDMN C#C[C@@H](C)N(C)Cc1ccc2c(c1)OCCCCO2 ZINC000824296670 623486567 /nfs/dbraw/zinc/48/65/67/623486567.db2.gz IHLBEYDSXVMEID-CYBMUJFWSA-N 0 1 259.349 2.692 20 30 CFEDMN N#CCC1(CNCc2ccnc(Cl)c2F)CC1 ZINC000824326835 623490900 /nfs/dbraw/zinc/49/09/00/623490900.db2.gz KUSJZJJVYFWWOL-UHFFFAOYSA-N 0 1 253.708 2.658 20 30 CFEDMN CC(C)CN(CCC#N)Cc1ccnn1-c1ccncc1 ZINC000824502450 623513194 /nfs/dbraw/zinc/51/31/94/623513194.db2.gz IMOSWCQQYHVOSQ-UHFFFAOYSA-N 0 1 283.379 2.639 20 30 CFEDMN C#CC[N@H+]1CC[C@]2(NC(=O)[C@@H](C)C3CCCC3)CCC[C@@H]12 ZINC000992403196 623532427 /nfs/dbraw/zinc/53/24/27/623532427.db2.gz JUKPPVZGFPTTQV-YXJHDRRASA-N 0 1 288.435 2.559 20 30 CFEDMN C=CCC[C@@H](C(=O)NC12CCN(CC1)C2)c1ccccc1 ZINC000913632845 623536888 /nfs/dbraw/zinc/53/68/88/623536888.db2.gz ANUILBDGASOIHV-MRXNPFEDSA-N 0 1 284.403 2.701 20 30 CFEDMN C[C@@H]1CC[C@H](CC(=O)C(C#N)C(=O)Nc2ccccn2)C1 ZINC000151757079 623562222 /nfs/dbraw/zinc/56/22/22/623562222.db2.gz XSSZWGXUWPRVCV-FRRDWIJNSA-N 0 1 285.347 2.555 20 30 CFEDMN C[C@@H]1CC[C@@H](CC(=O)C(C#N)C(=O)Nc2ccccn2)C1 ZINC000151757219 623562256 /nfs/dbraw/zinc/56/22/56/623562256.db2.gz XSSZWGXUWPRVCV-JHJVBQTASA-N 0 1 285.347 2.555 20 30 CFEDMN COC(=O)C1(C#N)CCN(C[C@@H](C)c2ccccc2)CC1 ZINC000824871385 623582526 /nfs/dbraw/zinc/58/25/26/623582526.db2.gz DZJXDDIGJCJUEY-CQSZACIVSA-N 0 1 286.375 2.569 20 30 CFEDMN C#CCCCCCOC(=O)[C@@H]1CCCc2[nH]ncc21 ZINC000760269544 623641270 /nfs/dbraw/zinc/64/12/70/623641270.db2.gz XVEWNQKLSUZHAG-GFCCVEGCSA-N 0 1 260.337 2.566 20 30 CFEDMN CCN(CCC#N)C[C@@H]1CN(C(=O)OC(C)(C)C)C[C@H]1C ZINC000929774458 623656732 /nfs/dbraw/zinc/65/67/32/623656732.db2.gz PFSLAQRLIPOHNF-ZIAGYGMSSA-N 0 1 295.427 2.725 20 30 CFEDMN C=CCOCC[NH2+]Cc1cc(Cl)c(C)cc1[O-] ZINC000825475829 623700457 /nfs/dbraw/zinc/70/04/57/623700457.db2.gz WLGFSCIGSJXZMI-UHFFFAOYSA-N 0 1 255.745 2.646 20 30 CFEDMN C#CCN(Cc1ccc(O[C@@H](C)COC)cc1)C1CC1 ZINC000825519200 623708092 /nfs/dbraw/zinc/70/80/92/623708092.db2.gz AWRCMPSSAYFAHF-AWEZNQCLSA-N 0 1 273.376 2.698 20 30 CFEDMN CCn1nccc1/C=C/C(=O)c1cc(F)ccc1O ZINC000152668439 623750540 /nfs/dbraw/zinc/75/05/40/623750540.db2.gz YZCJKEUJUNZJPH-GQCTYLIASA-N 0 1 260.268 2.644 20 30 CFEDMN C#C[C@H](N[C@H](C)[C@@H]1C[C@H]1C(=O)OC)c1ccc(Cl)cc1 ZINC000825948946 623774754 /nfs/dbraw/zinc/77/47/54/623774754.db2.gz NFLKOVLTPDPHSR-KAOXEZKKSA-N 0 1 291.778 2.802 20 30 CFEDMN C=CCN1CCC[C@@H](NC(=O)c2ccc(F)cc2)[C@@H]1C ZINC000992946333 623815614 /nfs/dbraw/zinc/81/56/14/623815614.db2.gz FCDWKJLOYNFZSR-SWLSCSKDSA-N 0 1 276.355 2.594 20 30 CFEDMN N#Cc1ccc(O)c(NC(=O)C[C@@H]2CC[C@@H]3C[C@@H]32)c1 ZINC000826603100 623822386 /nfs/dbraw/zinc/82/23/86/623822386.db2.gz CWNFFOFZVKUKED-WOPDTQHZSA-N 0 1 256.305 2.639 20 30 CFEDMN C#CCCN1CCC[C@@H](NC(=O)c2ccc(Cl)o2)[C@@H]1C ZINC000993040914 623861080 /nfs/dbraw/zinc/86/10/80/623861080.db2.gz RQMBKBQJBQJUQI-NWDGAFQWSA-N 0 1 294.782 2.539 20 30 CFEDMN CC(C)[C@H]1CC[N@H+]([C@H](C(=O)[O-])c2ccc(C#N)cc2)C1 ZINC000826735197 623862060 /nfs/dbraw/zinc/86/20/60/623862060.db2.gz AVUBJPLGDNPMFE-GJZGRUSLSA-N 0 1 272.348 2.662 20 30 CFEDMN CC(C)C(=O)N[C@H]1CCCN(Cc2cccc(C#N)c2)[C@@H]1C ZINC000993067305 623883415 /nfs/dbraw/zinc/88/34/15/623883415.db2.gz IAHJUPCCQRFKPK-PBHICJAKSA-N 0 1 299.418 2.683 20 30 CFEDMN Cc1nc(CN=Nc2ccccc2[N+](=O)[O-])c2ccccn12 ZINC000914601240 623907798 /nfs/dbraw/zinc/90/77/98/623907798.db2.gz LPJJAZKWULTSRR-UHFFFAOYSA-N 0 1 295.302 2.997 20 30 CFEDMN C#Cc1cnc(NC[C@@H](c2ccco2)N2CCCCC2)nc1 ZINC000827294511 623983544 /nfs/dbraw/zinc/98/35/44/623983544.db2.gz BZNKJOHCESTZJG-HNNXBMFYSA-N 0 1 296.374 2.690 20 30 CFEDMN N#CC(C(=O)Nc1ccc(Cl)cc1)C(=O)C1CCC1 ZINC000193391444 623991890 /nfs/dbraw/zinc/99/18/90/623991890.db2.gz ZIGDXJXGMHMIOC-GFCCVEGCSA-N 0 1 276.723 2.787 20 30 CFEDMN C=CCCCCN1Cc2c(OC)ccc(OC)c2[C@H](O)C1 ZINC000827411107 623999593 /nfs/dbraw/zinc/99/95/93/623999593.db2.gz IWAGGXDRUNJZRJ-CQSZACIVSA-N 0 1 291.391 2.909 20 30 CFEDMN CCC[C@H](C(=O)C(C#N)C(=O)Nc1ccccn1)C(C)C ZINC000153531835 624006699 /nfs/dbraw/zinc/00/66/99/624006699.db2.gz RDJNNAFAILBZMB-STQMWFEESA-N 0 1 287.363 2.801 20 30 CFEDMN C#C[C@@H](NCc1ccc(Cl)cc1F)C1CCOCC1 ZINC000827560604 624032161 /nfs/dbraw/zinc/03/21/61/624032161.db2.gz SQEWGBKRLUCYMR-OAHLLOKOSA-N 0 1 281.758 2.997 20 30 CFEDMN C#C[C@H](NCc1cc(Cl)ccc1F)C1CCOCC1 ZINC000827566063 624033819 /nfs/dbraw/zinc/03/38/19/624033819.db2.gz RORNPQLRHSQKDT-HNNXBMFYSA-N 0 1 281.758 2.997 20 30 CFEDMN CC(=NN[C@H]1CCCCC1(C)C)c1ccc(N)nc1 ZINC000814917837 624035979 /nfs/dbraw/zinc/03/59/79/624035979.db2.gz SVQUMFAUDFVVMX-ZDUSSCGKSA-N 0 1 260.385 2.946 20 30 CFEDMN C#CCCN1CCC[C@H](NC(=O)c2cc(C)cs2)[C@H]1C ZINC000993306462 624072355 /nfs/dbraw/zinc/07/23/55/624072355.db2.gz GAQFCCPZKLFTGR-KGLIPLIRSA-N 0 1 290.432 2.663 20 30 CFEDMN C=CCN1CC[C@@H](NC(=O)Cc2c(C)cc(C)cc2C)C1 ZINC001015645754 624089534 /nfs/dbraw/zinc/08/95/34/624089534.db2.gz JJGDRCYUHJQEAG-MRXNPFEDSA-N 0 1 286.419 2.531 20 30 CFEDMN C#CCCN(CCOC)Cc1cnc(Cl)c(C)c1 ZINC000827823845 624103975 /nfs/dbraw/zinc/10/39/75/624103975.db2.gz WIFMIXKLHQTPCR-UHFFFAOYSA-N 0 1 266.772 2.515 20 30 CFEDMN C=CCN1CCC[C@@H](NC(=O)c2conc2C(C)C)[C@@H]1C ZINC000993419844 624139673 /nfs/dbraw/zinc/13/96/73/624139673.db2.gz WWFBXEMFDUWWFM-GXTWGEPZSA-N 0 1 291.395 2.567 20 30 CFEDMN CC#CCN1CCC[C@@H](NC(=O)C23CCC(CC2)C3)[C@@H]1C ZINC000993479722 624146176 /nfs/dbraw/zinc/14/61/76/624146176.db2.gz BEKBCTHJTGPAHH-UERKLNTKSA-N 0 1 288.435 2.559 20 30 CFEDMN C=C(C)CN1CCC[C@H](NC(=O)C2(F)CCCC2)[C@@H]1C ZINC000993501469 624148228 /nfs/dbraw/zinc/14/82/28/624148228.db2.gz LCUWGJWMTLENBP-KBPBESRZSA-N 0 1 282.403 2.814 20 30 CFEDMN C#Cc1ccc(CN2Cc3c[nH]nc3CC(C)(C)C2)cc1 ZINC000828014178 624154570 /nfs/dbraw/zinc/15/45/70/624154570.db2.gz WRESNBCHMMUULT-UHFFFAOYSA-N 0 1 279.387 2.976 20 30 CFEDMN C=CCN1CCC[C@@H](NC(=O)c2nccc3occc32)[C@@H]1C ZINC000993619600 624154919 /nfs/dbraw/zinc/15/49/19/624154919.db2.gz GZRLMTYZICWVAH-GXTWGEPZSA-N 0 1 299.374 2.597 20 30 CFEDMN C=CCN1CCC[C@@H](NC(=O)c2cc(C(C)C)on2)[C@H]1C ZINC000993670354 624158241 /nfs/dbraw/zinc/15/82/41/624158241.db2.gz SLKOFCYILOKPJM-CHWSQXEVSA-N 0 1 291.395 2.567 20 30 CFEDMN C=C(C)CN1CCC[C@H](NC(=O)c2cocc2C)[C@@H]1C ZINC000993704321 624163700 /nfs/dbraw/zinc/16/37/00/624163700.db2.gz SZUKHPLHUZUSBK-ZFWWWQNUSA-N 0 1 276.380 2.747 20 30 CFEDMN C=CCN1CCC[C@H](NC(=O)c2occc2CC)[C@H]1C ZINC000993790989 624166229 /nfs/dbraw/zinc/16/62/29/624166229.db2.gz QRHUPMMZRQZCFC-OCCSQVGLSA-N 0 1 276.380 2.611 20 30 CFEDMN C=CCN1CCC[C@H](NC(=O)c2ncoc2C(C)C)[C@H]1C ZINC000994168010 624181567 /nfs/dbraw/zinc/18/15/67/624181567.db2.gz NGSWTEXVFUYCOP-OLZOCXBDSA-N 0 1 291.395 2.567 20 30 CFEDMN COc1ccc(O)c([C@@H](C)NCc2ccncc2C#N)c1 ZINC000828154494 624188265 /nfs/dbraw/zinc/18/82/65/624188265.db2.gz AATDZKPZYIVCIX-LLVKDONJSA-N 0 1 283.331 2.518 20 30 CFEDMN FC(F)(F)c1ccc(N=NCc2ccncc2)nc1 ZINC000915917588 624188252 /nfs/dbraw/zinc/18/82/52/624188252.db2.gz GXGNITVQMBFVQR-UHFFFAOYSA-N 0 1 266.226 2.941 20 30 CFEDMN Cc1cc(N=NC(C)c2ccccc2[N+](=O)[O-])nc(C)n1 ZINC000915967776 624196032 /nfs/dbraw/zinc/19/60/32/624196032.db2.gz LBXNMIVIWSVLAP-UHFFFAOYSA-N 0 1 285.307 2.838 20 30 CFEDMN CC(=NNCCN1CCCCC1)c1ccc(F)c(F)c1 ZINC000915973365 624198819 /nfs/dbraw/zinc/19/88/19/624198819.db2.gz GNNUQTVJPSTXDT-UHFFFAOYSA-N 0 1 281.350 2.764 20 30 CFEDMN CC(=NNCCN1CCCCC1)c1cc(C)ccc1O ZINC000915974645 624199998 /nfs/dbraw/zinc/19/99/98/624199998.db2.gz VLYCIINNKIANTR-UHFFFAOYSA-N 0 1 275.396 2.500 20 30 CFEDMN COc1ccc(C(C)=NNc2ccccn2)c(O)c1 ZINC000916275966 624234408 /nfs/dbraw/zinc/23/44/08/624234408.db2.gz CUVDSCLRRRPPID-UHFFFAOYSA-N 0 1 257.293 2.632 20 30 CFEDMN CC#CCN1CCC[C@H](NC(=O)[C@H]2CC[C@H](C)CC2)[C@H]1C ZINC000994253177 624241155 /nfs/dbraw/zinc/24/11/55/624241155.db2.gz QUYDUTMXQHAIMP-VQHPVUNQSA-N 0 1 290.451 2.805 20 30 CFEDMN C#CCN1CCC[C@H](NC(=O)c2ccc(Cl)cc2)[C@H]1C ZINC000994267509 624267657 /nfs/dbraw/zinc/26/76/57/624267657.db2.gz XJQOJSPOANTNIY-DOMZBBRYSA-N 0 1 290.794 2.556 20 30 CFEDMN C=CCN1CCC[C@H](NC(=O)c2ncccc2Cl)[C@H]1C ZINC000994269672 624267688 /nfs/dbraw/zinc/26/76/88/624267688.db2.gz DQZBJILEIXGEOR-YPMHNXCESA-N 0 1 293.798 2.504 20 30 CFEDMN C=CC[N@@H+]1CCC[C@H](NC(=O)C2(c3ccccc3)CC2)[C@@H]1C ZINC000994352922 624278467 /nfs/dbraw/zinc/27/84/67/624278467.db2.gz SBMVWKJFOZPXHF-RDJZCZTQSA-N 0 1 298.430 2.873 20 30 CFEDMN C=CCN1CCC[C@H](NC(=O)C2(c3ccccc3)CC2)[C@@H]1C ZINC000994352922 624278468 /nfs/dbraw/zinc/27/84/68/624278468.db2.gz SBMVWKJFOZPXHF-RDJZCZTQSA-N 0 1 298.430 2.873 20 30 CFEDMN C[C@@H](NCC1(C#N)CCC1)c1ccc2c(c1)CCO2 ZINC000828675799 624285657 /nfs/dbraw/zinc/28/56/57/624285657.db2.gz YZFYVENOVAATEY-GFCCVEGCSA-N 0 1 256.349 2.966 20 30 CFEDMN C=CCN1CCC[C@H](NC(=O)c2ccc3c(c2)CCC3)[C@H]1C ZINC000994388870 624289461 /nfs/dbraw/zinc/28/94/61/624289461.db2.gz NYHUDGRTYUDSBX-KDOFPFPSSA-N 0 1 298.430 2.944 20 30 CFEDMN CC#CCN1CCC[C@H](NC(=O)Cc2ccccc2C)[C@@H]1C ZINC000994400868 624292854 /nfs/dbraw/zinc/29/28/54/624292854.db2.gz NCRYWBIPBALMSX-WMZOPIPTSA-N 0 1 298.430 2.530 20 30 CFEDMN N#CC(C(=O)CC1CC1)C(=O)Nc1ccc(F)c(Cl)c1 ZINC000916940337 624293738 /nfs/dbraw/zinc/29/37/38/624293738.db2.gz YAYMTAYKGLJYFD-SNVBAGLBSA-N 0 1 294.713 2.927 20 30 CFEDMN C=CCN(CC(=O)N(C)Cc1ccccc1OC)C(C)C ZINC000917069138 624307041 /nfs/dbraw/zinc/30/70/41/624307041.db2.gz JIWJVRKVJKZQLF-UHFFFAOYSA-N 0 1 290.407 2.550 20 30 CFEDMN C=CCN(CC(=O)N1CCC[C@H](C(F)(F)F)C1)C(C)C ZINC000917167936 624320756 /nfs/dbraw/zinc/32/07/56/624320756.db2.gz JJUPHJDHFSSVCL-LBPRGKRZSA-N 0 1 292.345 2.684 20 30 CFEDMN C=CCN1C(=O)N=NC1SCc1coc(C(C)(C)C)n1 ZINC000917210700 624322138 /nfs/dbraw/zinc/32/21/38/624322138.db2.gz VHHGSBDZHGIYIN-UHFFFAOYSA-N 0 1 294.380 2.748 20 30 CFEDMN Cc1cc(CN=Nc2cccc([N+](=O)[O-])c2)c(C)[nH]1 ZINC000917565894 624357825 /nfs/dbraw/zinc/35/78/25/624357825.db2.gz YQDNOJQUGHGSGN-UHFFFAOYSA-N 0 1 258.281 2.986 20 30 CFEDMN C[C@@H]1C[C@H]1c1ccc(C=NNc2ncnc3nc[nH]c32)o1 ZINC000917556269 624359653 /nfs/dbraw/zinc/35/96/53/624359653.db2.gz YUCNXWKPIIUAEI-PSASIEDQSA-N 0 1 282.307 2.515 20 30 CFEDMN C#CC(C)(C)N(C)Cc1ccc(C(=O)OC)c(Cl)c1 ZINC000829243598 624407065 /nfs/dbraw/zinc/40/70/65/624407065.db2.gz HKUNAVYUMNLWFU-UHFFFAOYSA-N 0 1 279.767 2.970 20 30 CFEDMN C#CC[C@H]1CCCN(Cc2noc3c2CCCC3)C1 ZINC000829783811 624536667 /nfs/dbraw/zinc/53/66/67/624536667.db2.gz CFCKGSSMTGSQJQ-ZDUSSCGKSA-N 0 1 258.365 2.789 20 30 CFEDMN C#CC[C@@H]1CCC[N@H+](Cc2cc([O-])ccc2[N+](=O)[O-])C1 ZINC000829809520 624549310 /nfs/dbraw/zinc/54/93/10/624549310.db2.gz CNQKMEUVXWRJTJ-GFCCVEGCSA-N 0 1 274.320 2.536 20 30 CFEDMN C#CC[C@@H]1CCCN([C@@H](C)C(=O)c2c[nH]c3ncccc23)C1 ZINC000829811202 624551061 /nfs/dbraw/zinc/55/10/61/624551061.db2.gz ZLHWNMDNJVLXRS-UONOGXRCSA-N 0 1 295.386 2.869 20 30 CFEDMN C#CCN(C(=O)c1cccc2[nH]c(C(F)F)nc21)C(C)C ZINC000830155054 624646312 /nfs/dbraw/zinc/64/63/12/624646312.db2.gz OBLUTXVHXIOXIK-UHFFFAOYSA-N 0 1 291.301 2.984 20 30 CFEDMN CCOC(=O)[C@H](C)/N=C\c1ccc(N(CC)CC)cc1O ZINC000920172876 624695772 /nfs/dbraw/zinc/69/57/72/624695772.db2.gz LYASGCZAPWEECN-UEMWTREESA-N 0 1 292.379 2.609 20 30 CFEDMN C#CC1CCN(CC(=O)N2c3ccccc3CC[C@@H]2C)CC1 ZINC000830301338 624703747 /nfs/dbraw/zinc/70/37/47/624703747.db2.gz JNHLATJZYMUZOI-HNNXBMFYSA-N 0 1 296.414 2.700 20 30 CFEDMN C#CC1CCN(Cc2cn3ccccc3c2C#N)CC1 ZINC000830316212 624705980 /nfs/dbraw/zinc/70/59/80/624705980.db2.gz IUCFVIUWSUDYSQ-UHFFFAOYSA-N 0 1 263.344 2.656 20 30 CFEDMN C#CC1CCN(CC(=O)NC2(c3ccccc3)CCC2)CC1 ZINC000830326141 624709054 /nfs/dbraw/zinc/70/90/54/624709054.db2.gz CYRWZTMAOFLJLH-UHFFFAOYSA-N 0 1 296.414 2.527 20 30 CFEDMN FC(F)(F)c1n[nH]c(=S)n1N=CC=Cc1ccco1 ZINC000920361389 624714711 /nfs/dbraw/zinc/71/47/11/624714711.db2.gz NQEYCXPINLAXQA-SROKDWKNSA-N 0 1 288.254 2.726 20 30 CFEDMN N=C(N)NN=Cc1ccc(-c2ccc(C(F)(F)F)cc2)o1 ZINC000920375980 624715627 /nfs/dbraw/zinc/71/56/27/624715627.db2.gz SELMBSIIFCVLAH-UHFFFAOYSA-N 0 1 296.252 2.782 20 30 CFEDMN C[C@@H]1CCCC[C@H]1CC(=O)C(C#N)C(=O)N1CCCC1 ZINC000920790077 624771776 /nfs/dbraw/zinc/77/17/76/624771776.db2.gz OELPAVZHRVMIHC-HZSPNIEDSA-N 0 1 276.380 2.534 20 30 CFEDMN CCCCCCNC(=O)C(C#N)C(=O)CCC1CCC1 ZINC000175095952 624926556 /nfs/dbraw/zinc/92/65/56/624926556.db2.gz CFKGLMVBICSNRG-AWEZNQCLSA-N 0 1 278.396 2.972 20 30 CFEDMN C=C1CCC(CNC(=O)[C@@H]2c3cn[nH]c3CC[C@H]2C)CC1 ZINC000830980888 624945809 /nfs/dbraw/zinc/94/58/09/624945809.db2.gz ZROZJCUATMXZGO-WBMJQRKESA-N 0 1 287.407 2.938 20 30 CFEDMN C=C1CCC(CNC(=O)[C@@H]2CCN2C(C)(C)C)CC1 ZINC000830984725 624947197 /nfs/dbraw/zinc/94/71/97/624947197.db2.gz CFFQYMVDCZGKHI-AWEZNQCLSA-N 0 1 264.413 2.722 20 30 CFEDMN C[C@@H](C#N)Oc1ccc(CNCc2ccco2)cc1 ZINC000237703294 624971531 /nfs/dbraw/zinc/97/15/31/624971531.db2.gz AGJQUWIYZSTAOE-LBPRGKRZSA-N 0 1 256.305 2.860 20 30 CFEDMN CC(C)(C#N)CCCN1CCN(c2ccnc(F)c2)CC1 ZINC000831454162 625027559 /nfs/dbraw/zinc/02/75/59/625027559.db2.gz DYEZFLROXZKRTI-UHFFFAOYSA-N 0 1 290.386 2.673 20 30 CFEDMN CCCN(C)CC(=O)N(CCC#N)c1ccc(C)c(C)c1 ZINC000069091831 625051695 /nfs/dbraw/zinc/05/16/95/625051695.db2.gz FYLPDBSVFNPXLC-UHFFFAOYSA-N 0 1 287.407 2.892 20 30 CFEDMN Cc1n[nH]c(C(C)C)c1C(=O)NCc1ccc(C)c(C#N)c1 ZINC000831795208 625131076 /nfs/dbraw/zinc/13/10/76/625131076.db2.gz LDTGRFUKRSYTDG-UHFFFAOYSA-N 0 1 296.374 2.952 20 30 CFEDMN CC(C)c1cc([C@@H]2CCCN(C(=O)[C@H](C)CC#N)C2)n[nH]1 ZINC000831879686 625164169 /nfs/dbraw/zinc/16/41/69/625164169.db2.gz NDHGTHDJFOMCJH-CHWSQXEVSA-N 0 1 288.395 2.789 20 30 CFEDMN C=C(Cl)CN[C@H]1CN(C(=O)CCC2CC2)CC1(C)C ZINC000995552927 625738592 /nfs/dbraw/zinc/73/85/92/625738592.db2.gz NAZOWHKBGUPVEQ-ZDUSSCGKSA-N 0 1 284.831 2.756 20 30 CFEDMN C=C(Cl)CN[C@H]1CN(C(=O)[C@H](F)C(C)C)CC1(C)C ZINC000996153401 625878503 /nfs/dbraw/zinc/87/85/03/625878503.db2.gz HYGVQDDDLBGXNS-NWDGAFQWSA-N 0 1 290.810 2.560 20 30 CFEDMN C=C(Cl)CN[C@@H]1CN(C(=O)c2cocc2C)CC1(C)C ZINC000996149601 625880191 /nfs/dbraw/zinc/88/01/91/625880191.db2.gz JAGHUJAVUBZLQZ-CYBMUJFWSA-N 0 1 296.798 2.781 20 30 CFEDMN C=C(Cl)CN[C@@H]1CN(C(=O)C2CC3(CC3)C2)CC1(C)C ZINC000996265344 625891698 /nfs/dbraw/zinc/89/16/98/625891698.db2.gz BISDKJLAYZDJNI-CYBMUJFWSA-N 0 1 296.842 2.756 20 30 CFEDMN C=C[C@@H]1OCC[C@H]1N[C@H](C)c1cccnc1Cl ZINC000834888593 625910507 /nfs/dbraw/zinc/91/05/07/625910507.db2.gz OHYIZKRJDVAYER-JLLWLGSASA-N 0 1 252.745 2.729 20 30 CFEDMN Cc1cc([C@H](C)NCc2ccc(C#N)c(F)c2)n(C)n1 ZINC000834901729 625915197 /nfs/dbraw/zinc/91/51/97/625915197.db2.gz BKLBKGZNDNXHNK-NSHDSACASA-N 0 1 272.327 2.590 20 30 CFEDMN Cc1c(N=NC2C[C@H](C)n3ccnc32)cccc1[N+](=O)[O-] ZINC000834954482 625931926 /nfs/dbraw/zinc/93/19/26/625931926.db2.gz YENOLBLFEVVNJH-VIFPVBQESA-N 0 1 285.307 2.881 20 30 CFEDMN C[C@H]1CC(=NNc2ccc(Cl)nc2)c2nccn21 ZINC000834960344 625933533 /nfs/dbraw/zinc/93/35/33/625933533.db2.gz MWVFELLGFANFMV-QMMMGPOBSA-N 0 1 261.716 2.712 20 30 CFEDMN CC(C)(C)CCNN=C1CCCc2nc(N)ccc21 ZINC000834974313 625940829 /nfs/dbraw/zinc/94/08/29/625940829.db2.gz ZEEFXPZLCZNRJQ-UHFFFAOYSA-N 0 1 260.385 2.730 20 30 CFEDMN CC1(C)CC(N=Nc2ccncn2)c2cc([N+](=O)[O-])ccc21 ZINC000835002966 625952042 /nfs/dbraw/zinc/95/20/42/625952042.db2.gz ZMKOPXYPQOZQCD-UHFFFAOYSA-N 0 1 297.318 2.882 20 30 CFEDMN Cc1ccc(CNN=Cc2cnc(N3CCCC3)nc2)cc1 ZINC000835009487 625955846 /nfs/dbraw/zinc/95/58/46/625955846.db2.gz TXYSNLCYDZFASQ-UHFFFAOYSA-N 0 1 295.390 2.509 20 30 CFEDMN N#Cc1cccc(CNCc2cnn(CC3CCC3)c2)c1 ZINC000921519837 625972358 /nfs/dbraw/zinc/97/23/58/625972358.db2.gz FHSGKWYMIYEPRE-UHFFFAOYSA-N 0 1 280.375 2.845 20 30 CFEDMN C=C(Cl)CN[C@H]1CCCN(C(=O)Cc2ccsc2)C1 ZINC000998440525 626050427 /nfs/dbraw/zinc/05/04/27/626050427.db2.gz OUVMPYLBNBWACS-ZDUSSCGKSA-N 0 1 298.839 2.624 20 30 CFEDMN C=C(Cl)CN[C@H]1CCCN(C(=O)CCc2ccco2)C1 ZINC000998510658 626054016 /nfs/dbraw/zinc/05/40/16/626054016.db2.gz BILWZVYKXKEBHZ-ZDUSSCGKSA-N 0 1 296.798 2.545 20 30 CFEDMN C=C(Cl)CN[C@H]1CCCN(C(=O)c2cc(C)c(C)o2)C1 ZINC000998920021 626063952 /nfs/dbraw/zinc/06/39/52/626063952.db2.gz LUQHUCKJGJBHMB-ZDUSSCGKSA-N 0 1 296.798 2.843 20 30 CFEDMN C=C(Cl)CN[C@@H]1CCCN(C(=O)c2ccc(CC)o2)C1 ZINC000999517647 626074851 /nfs/dbraw/zinc/07/48/51/626074851.db2.gz BFWYUFACQWXMLA-GFCCVEGCSA-N 0 1 296.798 2.789 20 30 CFEDMN C=C(Cl)CN[C@H]1CCCN(C(=O)[C@@]2(C)C=CCC2)C1 ZINC000999914445 626083872 /nfs/dbraw/zinc/08/38/72/626083872.db2.gz OCXSCVYNFOWRCU-ZFWWWQNUSA-N 0 1 282.815 2.676 20 30 CFEDMN CCC[C@@H](O)CNCc1cc(C#N)ccc1Br ZINC000921732367 626100872 /nfs/dbraw/zinc/10/08/72/626100872.db2.gz HPDPBKCAGWGYDZ-GFCCVEGCSA-N 0 1 297.196 2.571 20 30 CFEDMN C=CCN1CC[C@H](NC(=O)c2csc3c2CCCC3)C1 ZINC001016198120 626109987 /nfs/dbraw/zinc/10/99/87/626109987.db2.gz NOCVQGGDZJNKHY-LBPRGKRZSA-N 0 1 290.432 2.617 20 30 CFEDMN C=CC[N@@H+]1CC=C(CNC(=O)[C@@H]2CCC[C@@H]2C(F)F)CC1 ZINC001000775323 626131845 /nfs/dbraw/zinc/13/18/45/626131845.db2.gz BQYWWGANUOPZPW-UONOGXRCSA-N 0 1 298.377 2.602 20 30 CFEDMN CC#CCN1CC=C(CNC(=O)c2ccoc2C2CC2)CC1 ZINC001001085581 626144161 /nfs/dbraw/zinc/14/41/61/626144161.db2.gz LIMPPNUOEBDGPK-UHFFFAOYSA-N 0 1 298.386 2.542 20 30 CFEDMN CC#CCN1CC=C(CNC(=O)c2ccccc2CC)CC1 ZINC001001096310 626145096 /nfs/dbraw/zinc/14/50/96/626145096.db2.gz QCOHVJYNHAKPRV-UHFFFAOYSA-N 0 1 296.414 2.634 20 30 CFEDMN C=CCN(Cc1cccs1)C[C@H]1COC(C)(C)O1 ZINC000851712527 634482920 /nfs/dbraw/zinc/48/29/20/634482920.db2.gz QCZFTCZUPQUQAF-LBPRGKRZSA-N 0 1 267.394 2.888 20 30 CFEDMN Cc1nnsc1CNCc1c(C)cc(C#N)cc1C ZINC000922143688 626217108 /nfs/dbraw/zinc/21/71/08/626217108.db2.gz NPMKXUMAUSKNDC-UHFFFAOYSA-N 0 1 272.377 2.625 20 30 CFEDMN C[C@H]1C[C@H](NCc2cc(C#N)ccc2Br)CO1 ZINC000922216435 626242554 /nfs/dbraw/zinc/24/25/54/626242554.db2.gz WXWGFWCJIKSPIG-CABZTGNLSA-N 0 1 295.180 2.588 20 30 CFEDMN CC(C)(NCc1cnn(CCF)c1)c1cccc(C#N)c1 ZINC000922238618 626247321 /nfs/dbraw/zinc/24/73/21/626247321.db2.gz GZDKBTXFUGHTMX-UHFFFAOYSA-N 0 1 286.354 2.749 20 30 CFEDMN CC#CCN1CCC(NC(=O)[C@H]2CCCC[C@@H]2CC)CC1 ZINC001003878567 626263652 /nfs/dbraw/zinc/26/36/52/626263652.db2.gz LUAADQUXYYWPKQ-RDJZCZTQSA-N 0 1 290.451 2.807 20 30 CFEDMN CC#CCN1CCC(NC(=O)C2C[C@H](C)C[C@@H](C)C2)CC1 ZINC001004224669 626313659 /nfs/dbraw/zinc/31/36/59/626313659.db2.gz QHWCCXKNMRDMAP-HUUCEWRRSA-N 0 1 290.451 2.663 20 30 CFEDMN CC#CCN1CCC(NC(=O)c2ccoc2C(C)C)CC1 ZINC001004237184 626316683 /nfs/dbraw/zinc/31/66/83/626316683.db2.gz CEKHEBCWRXLCSX-UHFFFAOYSA-N 0 1 288.391 2.621 20 30 CFEDMN C#CCN(Cc1ccc(F)cc1)[C@@H](C)c1n[nH]c(CC)n1 ZINC000851737644 634500823 /nfs/dbraw/zinc/50/08/23/634500823.db2.gz KEXRBILHSJDTGU-LBPRGKRZSA-N 0 1 286.354 2.703 20 30 CFEDMN C=CCN(Cc1ccc(OC)cc1)C[C@H]1COC(C)(C)O1 ZINC000851733106 634498072 /nfs/dbraw/zinc/49/80/72/634498072.db2.gz JXRMKCXIGBRLSI-INIZCTEOSA-N 0 1 291.391 2.835 20 30 CFEDMN CCOC(=O)CN(CCc1ccc(C#N)cc1)CC(C)C ZINC000851736951 634500363 /nfs/dbraw/zinc/50/03/63/634500363.db2.gz QOPQBINIWJPKGR-UHFFFAOYSA-N 0 1 288.391 2.622 20 30 CFEDMN C=C(C)CN1CC[C@H](NC(=O)c2ccc(C(C)C)nc2)C1 ZINC001014713412 626412127 /nfs/dbraw/zinc/41/21/27/626412127.db2.gz LCLXSYBIQIUHIL-HNNXBMFYSA-N 0 1 287.407 2.585 20 30 CFEDMN C#CCN1CCC(N(C)C(=O)[C@@H]2CCC[C@@H]2CCC)CC1 ZINC001005629147 626418542 /nfs/dbraw/zinc/41/85/42/626418542.db2.gz PPBHSQUPXYCQRA-DOTOQJQBSA-N 0 1 290.451 2.759 20 30 CFEDMN Cc1csc(C(C#N)C(=O)C=Cc2ccc[nH]2)n1 ZINC000788082327 626420218 /nfs/dbraw/zinc/42/02/18/626420218.db2.gz XKSPTLSJYDWXHP-SGUJLRQBSA-N 0 1 257.318 2.669 20 30 CFEDMN N#Cc1ccccc1CNC1([C@@H]2CCCCO2)CC1 ZINC000923028702 626443876 /nfs/dbraw/zinc/44/38/76/626443876.db2.gz BAWOUVSERXDVKA-HNNXBMFYSA-N 0 1 256.349 2.750 20 30 CFEDMN N#Cc1ccc(CN(Cc2ccc(N)nc2)C2CC2)cc1 ZINC000929366787 626454682 /nfs/dbraw/zinc/45/46/82/626454682.db2.gz FZOMUPXZDXLSSV-UHFFFAOYSA-N 0 1 278.359 2.700 20 30 CFEDMN C#CCN1CCC(N(C)C(=O)c2cc(Cl)cs2)CC1 ZINC001006083297 626473125 /nfs/dbraw/zinc/47/31/25/626473125.db2.gz CLCVQPDOSRQEJW-UHFFFAOYSA-N 0 1 296.823 2.571 20 30 CFEDMN C[C@@H](NC[C@@H](C#N)CCC#N)c1ccc(N(C)C)cc1 ZINC000774481186 626481871 /nfs/dbraw/zinc/48/18/71/626481871.db2.gz HPCWYZIAEWBJIV-ZIAGYGMSSA-N 0 1 270.380 2.847 20 30 CFEDMN N#CC(C(=O)[C@H]1CCC(=O)C1)c1cc(C(F)(F)F)ccn1 ZINC000842803218 626487758 /nfs/dbraw/zinc/48/77/58/626487758.db2.gz NUJJFFFEWJESTL-GZMMTYOYSA-N 0 1 296.248 2.646 20 30 CFEDMN N#CC(C(=O)[C@@H]1C[C@H]2CC[C@@H]1O2)c1ccc2ccccc2n1 ZINC000838783925 626506453 /nfs/dbraw/zinc/50/64/53/626506453.db2.gz WRCHEESPGKEWME-WBOJAVRRSA-N 0 1 292.338 2.979 20 30 CFEDMN COc1ccc(CNCc2cnc(C3CC3)nc2)cc1C#N ZINC000838980517 626518247 /nfs/dbraw/zinc/51/82/47/626518247.db2.gz RRTXIYABOOZPRN-UHFFFAOYSA-N 0 1 294.358 2.524 20 30 CFEDMN C#CCC[C@@H](C)OC(=O)[C@]1(F)CCN(C(C)(C)C)C1 ZINC000839039059 626519515 /nfs/dbraw/zinc/51/95/15/626519515.db2.gz BLWITKCGALDPRM-DOMZBBRYSA-N 0 1 269.360 2.544 20 30 CFEDMN C#CCN(CCn1cc(Cl)cn1)Cc1ccccc1 ZINC000839011410 626520242 /nfs/dbraw/zinc/52/02/42/626520242.db2.gz ITVIAPNZWPIUPO-UHFFFAOYSA-N 0 1 273.767 2.672 20 30 CFEDMN C#C[C@H](NCc1ccc(C2CC2)cc1)[C@@H]1CCCO1 ZINC000839016667 626520680 /nfs/dbraw/zinc/52/06/80/626520680.db2.gz BRJUHQUKBZPIOF-IRXDYDNUSA-N 0 1 255.361 2.834 20 30 CFEDMN N#C[C@@H]1CCC[C@H](OC(=O)c2ccc(-c3nnc[nH]3)cc2)C1 ZINC000839049264 626521547 /nfs/dbraw/zinc/52/15/47/626521547.db2.gz FUQYENJXFPCKOP-RISCZKNCSA-N 0 1 296.330 2.711 20 30 CFEDMN CC[C@H](C(=O)O[C@@H]1CCC[C@H](C#N)C1)N(CC)CC ZINC000839051634 626521808 /nfs/dbraw/zinc/52/18/08/626521808.db2.gz LSDLNYWGLKNOOQ-BFHYXJOUSA-N 0 1 266.385 2.732 20 30 CFEDMN N#C[C@@H]1CCC[C@@H](OC(=O)c2ccc3cncn3c2)C1 ZINC000839064478 626522644 /nfs/dbraw/zinc/52/26/44/626522644.db2.gz WXIOWNAAUNAJDG-BXUZGUMPSA-N 0 1 269.304 2.573 20 30 CFEDMN C#CCC[C@@H](C)OC(=O)[C@H](C(C)C)N1CCCCC1 ZINC000839043867 626523553 /nfs/dbraw/zinc/52/35/53/626523553.db2.gz VENBQYASFGURJG-CABCVRRESA-N 0 1 265.397 2.842 20 30 CFEDMN C#CCOc1ccc(CNCc2ccc3c(n2)CCC3)cc1 ZINC000839130151 626527755 /nfs/dbraw/zinc/52/77/55/626527755.db2.gz VKXYJPQAFNUPJN-UHFFFAOYSA-N 0 1 292.382 2.872 20 30 CFEDMN CC[C@H](C)NN=Cc1cnc(N(CC)CC)s1 ZINC000790182535 626541514 /nfs/dbraw/zinc/54/15/14/626541514.db2.gz KIMLIOWELSEMHO-JTQLQIEISA-N 0 1 254.403 2.711 20 30 CFEDMN C#CC[C@@H](NCc1c[nH]c(C(=O)OC)c1)c1ccccc1 ZINC000756995883 626543211 /nfs/dbraw/zinc/54/32/11/626543211.db2.gz LDYLGBKHMDXSSC-OAHLLOKOSA-N 0 1 282.343 2.656 20 30 CFEDMN CC[C@@H]1CC[C@@H](C(=O)C(C#N)c2nc(C)cs2)O1 ZINC000757295300 626547808 /nfs/dbraw/zinc/54/78/08/626547808.db2.gz LHHBBMBVXRCOMK-VWYCJHECSA-N 0 1 264.350 2.585 20 30 CFEDMN C=CCCCCCCNC(=O)NCc1cc(C)[nH]n1 ZINC000805139552 626552505 /nfs/dbraw/zinc/55/25/05/626552505.db2.gz IUWMDOIVJORHOI-UHFFFAOYSA-N 0 1 264.373 2.654 20 30 CFEDMN O=C(/C=C1\COc2ccc(F)cc21)c1ccc(O)cc1O ZINC000757467578 626552985 /nfs/dbraw/zinc/55/29/85/626552985.db2.gz GFVJCVZTYACFPY-WEVVVXLNSA-N 0 1 286.258 2.896 20 30 CFEDMN Cc1nn(C)c(Cl)c1/C=C\C(=O)c1ccccc1O ZINC000757476711 626553283 /nfs/dbraw/zinc/55/32/83/626553283.db2.gz ZCWXQRURSRAPQV-FPLPWBNLSA-N 0 1 276.723 2.984 20 30 CFEDMN Cc1cc(N=NC(C)c2ccc(N)cc2C)ncn1 ZINC000758108293 626576972 /nfs/dbraw/zinc/57/69/72/626576972.db2.gz BGJNXAHDZLMILB-UHFFFAOYSA-N 0 1 255.325 2.512 20 30 CFEDMN CC(=NNCc1ccc(C#N)cc1)c1ccc(N)cc1C ZINC000758120146 626577518 /nfs/dbraw/zinc/57/75/18/626577518.db2.gz WTZHUINJFXQXBN-UHFFFAOYSA-N 0 1 278.359 2.963 20 30 CFEDMN COC(=O)c1ccc([N-][NH+]=C(C)c2ccc(N)cc2C)nc1 ZINC000758127853 626578245 /nfs/dbraw/zinc/57/82/45/626578245.db2.gz YKZLCWHETNTUSH-UHFFFAOYSA-N 0 1 298.346 2.595 20 30 CFEDMN C#CCCCCNC(=O)c1cccc(Br)c1O ZINC000759092759 626628414 /nfs/dbraw/zinc/62/84/14/626628414.db2.gz FEEONYCIAVUVKN-UHFFFAOYSA-N 0 1 296.164 2.688 20 30 CFEDMN CCC(=NNCC(F)F)c1ccc(N(C)C)cc1 ZINC000759195700 626635332 /nfs/dbraw/zinc/63/53/32/626635332.db2.gz HIBHADUIVZSYCF-UHFFFAOYSA-N 0 1 255.312 2.721 20 30 CFEDMN N#CC(C(=O)c1cc(Cl)cs1)c1ccncn1 ZINC000759641219 626679276 /nfs/dbraw/zinc/67/92/76/626679276.db2.gz AZFZDJUMLYFZMU-MRVPVSSYSA-N 0 1 263.709 2.682 20 30 CFEDMN C=CCN1C(=O)N=NC1SCc1ncc(C(C)C)o1 ZINC000759717356 626687264 /nfs/dbraw/zinc/68/72/64/626687264.db2.gz IVZKOFQLEFDFTK-UHFFFAOYSA-N 0 1 280.353 2.573 20 30 CFEDMN C#CC(=O)Nc1ccc2nc(-c3cccc(F)c3)[nH]c2c1 ZINC000759745711 626688885 /nfs/dbraw/zinc/68/88/85/626688885.db2.gz MRIDUMZGVBYZBH-UHFFFAOYSA-N 0 1 279.274 2.941 20 30 CFEDMN CCCCCCNC(=O)C(C#N)C(=O)[C@H]1CC12CCC2 ZINC000759822202 626694243 /nfs/dbraw/zinc/69/42/43/626694243.db2.gz SDQJVPVMDRMACZ-QWHCGFSZSA-N 0 1 276.380 2.582 20 30 CFEDMN COc1ccccc1NC(=O)C(C#N)C(=O)[C@H]1CC12CCC2 ZINC000759834221 626694502 /nfs/dbraw/zinc/69/45/02/626694502.db2.gz NAXANAICLWKKJX-VXGBXAGGSA-N 0 1 298.342 2.533 20 30 CFEDMN Cc1ccc(N=NCc2cc(F)cc3cccnc32)nn1 ZINC000760253601 626724689 /nfs/dbraw/zinc/72/46/89/626724689.db2.gz VCIKNNFCPLCNST-UHFFFAOYSA-N 0 1 281.294 2.918 20 30 CFEDMN C#CCOc1cccc(Cl)c1C=NNc1nccn1C ZINC000790299637 626732842 /nfs/dbraw/zinc/73/28/42/626732842.db2.gz GUPKJPIWJOHVET-UHFFFAOYSA-N 0 1 288.738 2.532 20 30 CFEDMN N#C[C@@H](C(=O)C1C2CC3CC(C2)CC1C3)c1ccncn1 ZINC000760336278 626735675 /nfs/dbraw/zinc/73/56/75/626735675.db2.gz XQFBUZWLEUQEOI-GMDIISMXSA-N 0 1 281.359 2.725 20 30 CFEDMN N#C[C@H](C(=O)C1(Cc2ccccc2)CC1)c1ccncn1 ZINC000760334866 626735681 /nfs/dbraw/zinc/73/56/81/626735681.db2.gz RXUJSXKGYAEJCS-AWEZNQCLSA-N 0 1 277.327 2.676 20 30 CFEDMN N#CC(C(=O)C[C@H]1CCc2ccccc21)c1ccncn1 ZINC000760342167 626737112 /nfs/dbraw/zinc/73/71/12/626737112.db2.gz VWURVJSDYGTEQP-UKRRQHHQSA-N 0 1 277.327 2.773 20 30 CFEDMN N#CC(C(=O)C[C@H]1CCOc2ccccc21)c1ccncn1 ZINC000760360244 626739881 /nfs/dbraw/zinc/73/98/81/626739881.db2.gz XDMFKOWEUYSIPV-OCCSQVGLSA-N 0 1 293.326 2.609 20 30 CFEDMN C#CCCN(C)[C@H](c1cnn(C)c1)c1cccc(F)c1 ZINC000760844244 626777222 /nfs/dbraw/zinc/77/72/22/626777222.db2.gz NYWOEGUFBLIYLH-INIZCTEOSA-N 0 1 271.339 2.604 20 30 CFEDMN CC(C)CC1CCN(CC(=O)N[C@](C)(C#N)C(C)C)CC1 ZINC000760931452 626785813 /nfs/dbraw/zinc/78/58/13/626785813.db2.gz BMPNPFGZKZTGQE-QGZVFWFLSA-N 0 1 293.455 2.799 20 30 CFEDMN Cc1ccc(N(CCC#N)C(=O)[C@H](C)N2CC[C@H]3C[C@H]32)cc1 ZINC000761089265 626801145 /nfs/dbraw/zinc/80/11/45/626801145.db2.gz ISEBLALBLKSKRQ-YQQAZPJKSA-N 0 1 297.402 2.724 20 30 CFEDMN Cc1cccc([N-][NH+]=C2c3ccc(N(C)C)cc3NC2=O)c1 ZINC000761744133 626856042 /nfs/dbraw/zinc/85/60/42/626856042.db2.gz KXEYAXYHJCRAMB-UHFFFAOYSA-N 0 1 294.358 2.829 20 30 CFEDMN C[C@@H]1CC(N=Nc2ccc(Cl)c(C(=O)[O-])c2)C[N@H+]1C ZINC000761794606 626859122 /nfs/dbraw/zinc/85/91/22/626859122.db2.gz SAFUYVXUSAABJO-MRVPVSSYSA-N 0 1 281.743 2.530 20 30 CFEDMN Cn1cc(NN=C2CCCOc3cc(F)ccc32)cn1 ZINC000761861024 626865338 /nfs/dbraw/zinc/86/53/38/626865338.db2.gz SWXPBCQBJFCJJR-UHFFFAOYSA-N 0 1 274.299 2.548 20 30 CFEDMN Cn1cc(N=NCc2ccc(OCC(F)(F)F)cc2)cn1 ZINC000761866951 626866743 /nfs/dbraw/zinc/86/67/43/626866743.db2.gz NWKLAMZRDSOLHB-UHFFFAOYSA-N 0 1 298.268 2.807 20 30 CFEDMN CC(C)CCCON=C(N)c1ccc(N(C)C)cc1 ZINC000762208830 626903792 /nfs/dbraw/zinc/90/37/92/626903792.db2.gz WVXMCXUEALNCOP-UHFFFAOYSA-N 0 1 263.385 2.826 20 30 CFEDMN C=CCCCCCN(C)Cn1cnc(-c2ccccn2)n1 ZINC000762497563 626921092 /nfs/dbraw/zinc/92/10/92/626921092.db2.gz VMGXCTSLVOPKJL-UHFFFAOYSA-N 0 1 285.395 2.976 20 30 CFEDMN C=CCN1C(=O)N=NC1S[C@H]1CCc2ccccc2C1 ZINC000763180235 626968747 /nfs/dbraw/zinc/96/87/47/626968747.db2.gz ITZQKORVKOIICR-ZDUSSCGKSA-N 0 1 287.388 2.819 20 30 CFEDMN CCCCCCCC(=O)N[C@@H](C)c1n[nH]c(CC)n1 ZINC000763204076 626970427 /nfs/dbraw/zinc/97/04/27/626970427.db2.gz WCZQPCJFVYXSPQ-NSHDSACASA-N 0 1 266.389 2.905 20 30 CFEDMN CN(CCCF)Cc1ccc(C#N)cc1OC(F)F ZINC000887139058 626983086 /nfs/dbraw/zinc/98/30/86/626983086.db2.gz YPFCOAATLHDRQE-UHFFFAOYSA-N 0 1 272.270 2.951 20 30 CFEDMN C#CCN(CCOc1ccc2c(C)cc(=O)oc2c1)C1CC1 ZINC000763956296 627026063 /nfs/dbraw/zinc/02/60/63/627026063.db2.gz ZDVCHCBTDUUXEI-UHFFFAOYSA-N 0 1 297.354 2.578 20 30 CFEDMN CC[C@H](C(=O)[C@@H](C#N)C(=O)NC1CC1)C1CCC(C)CC1 ZINC000764757722 627090856 /nfs/dbraw/zinc/09/08/56/627090856.db2.gz BKOOOPVVWAENRX-CXTZMWEQSA-N 0 1 290.407 2.826 20 30 CFEDMN Oc1c(Cl)cccc1C=NOCC(F)(F)F ZINC000764846339 627101275 /nfs/dbraw/zinc/10/12/75/627101275.db2.gz GMNJSLLACNDLIY-UHFFFAOYSA-N 0 1 253.607 2.958 20 30 CFEDMN CC(=NNC1=NC[C@@H](C)N1)c1ccc(OC(C)(C)C)cc1 ZINC000764908385 627106100 /nfs/dbraw/zinc/10/61/00/627106100.db2.gz STWCWYPCHBVOSF-LLVKDONJSA-N 0 1 288.395 2.525 20 30 CFEDMN Cc1ccc(CN=Nc2ccc(Br)cn2)cn1 ZINC000764912445 627106170 /nfs/dbraw/zinc/10/61/70/627106170.db2.gz UPQHLMAYNZSKKU-UHFFFAOYSA-N 0 1 291.152 2.994 20 30 CFEDMN C[C@H]1CC(=NC(=O)c2cc(C3CC3)nc3ccccc32)NO1 ZINC000765377790 627133581 /nfs/dbraw/zinc/13/35/81/627133581.db2.gz WSLJCBQIKZSREV-JTQLQIEISA-N 0 1 295.342 2.964 20 30 CFEDMN C[C@H]1CC(=NC(=O)c2cc3sccc3s2)NO1 ZINC000765377798 627133896 /nfs/dbraw/zinc/13/38/96/627133896.db2.gz ITVSCYXNSUDGRC-LURJTMIESA-N 0 1 266.347 2.815 20 30 CFEDMN c1cnc2c(c1)cccc2CNN=C1CCN2CCC[C@@H]12 ZINC000765573916 627148536 /nfs/dbraw/zinc/14/85/36/627148536.db2.gz XDNOMVZQBCFIDC-INIZCTEOSA-N 0 1 280.375 2.549 20 30 CFEDMN C#CCN1CCC[C@@H]1COC(=O)[C@H](c1ccccc1)C1CC1 ZINC000765940168 627165146 /nfs/dbraw/zinc/16/51/46/627165146.db2.gz JLAGWTYKCPBBJQ-QZTJIDSGSA-N 0 1 297.398 2.821 20 30 CFEDMN CC(=NNc1cc(F)c(F)cc1F)c1ccnn1C ZINC000766021088 627171561 /nfs/dbraw/zinc/17/15/61/627171561.db2.gz RIYYWDBGZZDKMQ-UHFFFAOYSA-N 0 1 268.242 2.674 20 30 CFEDMN C#CCCCN1CCC[C@H]1C(=O)OCc1ccccc1 ZINC000766906677 627226546 /nfs/dbraw/zinc/22/65/46/627226546.db2.gz SVHIUYQIGLSYER-INIZCTEOSA-N 0 1 271.360 2.608 20 30 CFEDMN C#CCCCN1CCCC[C@@H]1C(=O)OC(C)(C)C ZINC000766938028 627227802 /nfs/dbraw/zinc/22/78/02/627227802.db2.gz PQVXBQHWJWDSOP-CYBMUJFWSA-N 0 1 251.370 2.596 20 30 CFEDMN C#CCC(C)(C)C(=O)Nc1ccc2nc(C)[nH]c2c1 ZINC000767290213 627242267 /nfs/dbraw/zinc/24/22/67/627242267.db2.gz HGRPSYQYEWUYFR-UHFFFAOYSA-N 0 1 255.321 2.859 20 30 CFEDMN Cc1cc(Cl)ccc1C=NNC1=N[C@H]2CCCC[C@@H]2N1 ZINC000767386107 627247346 /nfs/dbraw/zinc/24/73/46/627247346.db2.gz BDKIFCAEMDDYNB-KBPBESRZSA-N 0 1 290.798 2.842 20 30 CFEDMN C#CCN1CCC[C@H]1COC(=O)c1c(C)oc2ccccc21 ZINC000767972927 627300005 /nfs/dbraw/zinc/30/00/05/627300005.db2.gz JMJYXIBSYRRACR-AWEZNQCLSA-N 0 1 297.354 2.996 20 30 CFEDMN C#C[C@H](CC)OC(=O)c1[nH]c(-c2ccccc2)nc1C ZINC000768042477 627306340 /nfs/dbraw/zinc/30/63/40/627306340.db2.gz VZUIENLDVNUXAM-CYBMUJFWSA-N 0 1 268.316 2.954 20 30 CFEDMN CC(=O)c1cccc(C(=O)Nc2cc(C#N)ccc2O)c1 ZINC000768184278 627323328 /nfs/dbraw/zinc/32/33/28/627323328.db2.gz FVSROQWMNNYDKS-UHFFFAOYSA-N 0 1 280.283 2.719 20 30 CFEDMN CC(=NNc1cc(C#N)cc(Cl)n1)c1cncc(F)c1 ZINC000768379501 627338582 /nfs/dbraw/zinc/33/85/82/627338582.db2.gz IUBDLPMQLFMEQT-UHFFFAOYSA-N 0 1 289.701 2.977 20 30 CFEDMN C#CCN(CC)Cc1c[nH]nc1-c1cccc(C)c1 ZINC000769112031 627403411 /nfs/dbraw/zinc/40/34/11/627403411.db2.gz WKFGJSAVYUHYMZ-UHFFFAOYSA-N 0 1 253.349 2.840 20 30 CFEDMN C#CCN(CC)Cc1c[nH]nc1-c1cccc(OC)c1 ZINC000769110792 627403626 /nfs/dbraw/zinc/40/36/26/627403626.db2.gz HYJPONRRAWRHMY-UHFFFAOYSA-N 0 1 269.348 2.540 20 30 CFEDMN C=C(C)[C@@H](CO)N1CC[C@@H](c2c(F)cccc2F)C1 ZINC000769229076 627413400 /nfs/dbraw/zinc/41/34/00/627413400.db2.gz VMKGURSXCSSHCI-BXUZGUMPSA-N 0 1 267.319 2.691 20 30 CFEDMN C[C@H]1C[C@@H]1C(=O)C(C#N)C(=O)Nc1ccccc1Cl ZINC000769281177 627418465 /nfs/dbraw/zinc/41/84/65/627418465.db2.gz GQGQXJNCADHEHA-GUBZILKMSA-N 0 1 276.723 2.643 20 30 CFEDMN C=C(Br)CN1CCC[C@@]1(CO)CCC ZINC000769912517 627486751 /nfs/dbraw/zinc/48/67/51/627486751.db2.gz FSRVHMXOJJNAAD-LLVKDONJSA-N 0 1 262.191 2.522 20 30 CFEDMN CCc1cccc(C(=O)Nc2cc(C#N)ccc2O)c1O ZINC000770130495 627503813 /nfs/dbraw/zinc/50/38/13/627503813.db2.gz ULGMKAXIOZPCDC-UHFFFAOYSA-N 0 1 282.299 2.784 20 30 CFEDMN C#CCOc1ccc(NC(=O)c2cn[nH]c2C(C)C)cc1 ZINC000770460397 627523781 /nfs/dbraw/zinc/52/37/81/627523781.db2.gz HNQGTVUEEYQMNB-UHFFFAOYSA-N 0 1 283.331 2.797 20 30 CFEDMN CCCCCNC(=O)C(C#N)C(=O)CCCC(F)(F)F ZINC000771259167 627588913 /nfs/dbraw/zinc/58/89/13/627588913.db2.gz UXFZJCGCQIHXBF-SNVBAGLBSA-N 0 1 292.301 2.734 20 30 CFEDMN CC(C)CNN=C1CCN(Cc2ccccn2)C[C@H]1C ZINC000771566783 627614971 /nfs/dbraw/zinc/61/49/71/627614971.db2.gz JLULXURRFKDWQL-CQSZACIVSA-N 0 1 274.412 2.525 20 30 CFEDMN C#CCN1CCC(C(=O)OCCCCCCC)CC1 ZINC000772114147 627673694 /nfs/dbraw/zinc/67/36/94/627673694.db2.gz VXQCTAVVSMXXBW-UHFFFAOYSA-N 0 1 265.397 2.845 20 30 CFEDMN C#CCN1CCC(C(=O)OCCCCc2ccccc2)CC1 ZINC000772109693 627674034 /nfs/dbraw/zinc/67/40/34/627674034.db2.gz GOLJBFVQEABBEG-UHFFFAOYSA-N 0 1 299.414 2.898 20 30 CFEDMN CC(C)c1nccnc1[N-][NH+]=Cc1cnccc1N(C)C ZINC000773085821 627781499 /nfs/dbraw/zinc/78/14/99/627781499.db2.gz LZEIIFVOLBPEHU-UHFFFAOYSA-N 0 1 284.367 2.507 20 30 CFEDMN C#CCCCCC(=O)Nc1ccccc1N1CCN(C)CC1 ZINC000773210837 627795659 /nfs/dbraw/zinc/79/56/59/627795659.db2.gz VLOJHIYRYBYFHE-UHFFFAOYSA-N 0 1 299.418 2.571 20 30 CFEDMN CCCCCCC[C@H](C)CNC(=O)c1ncn[nH]1 ZINC000773283229 627801677 /nfs/dbraw/zinc/80/16/77/627801677.db2.gz BKJBGDVYMISTPA-NSHDSACASA-N 0 1 252.362 2.531 20 30 CFEDMN CCCCCCC[C@H](C)CNC(=O)c1nc[nH]n1 ZINC000773283229 627801685 /nfs/dbraw/zinc/80/16/85/627801685.db2.gz BKJBGDVYMISTPA-NSHDSACASA-N 0 1 252.362 2.531 20 30 CFEDMN C=C(CC)CN1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC000773409658 627815344 /nfs/dbraw/zinc/81/53/44/627815344.db2.gz OCLVJKZAWDLPTO-UHFFFAOYSA-N 0 1 275.352 2.683 20 30 CFEDMN C=C(CC)COC(=O)c1cccc(-c2nnc[nH]2)c1 ZINC000773541664 627836100 /nfs/dbraw/zinc/83/61/00/627836100.db2.gz KZZGGRJZKRCVGM-UHFFFAOYSA-N 0 1 257.293 2.595 20 30 CFEDMN CC1(C)CCC[C@H]1C(=O)C(C#N)C(=O)NCc1ccccc1 ZINC000773974446 627875083 /nfs/dbraw/zinc/87/50/83/627875083.db2.gz HUTKBRYHMXXQQD-GJZGRUSLSA-N 0 1 298.386 2.838 20 30 CFEDMN N#C[C@H]1CCC[C@H](NCC(=O)Nc2ccc(F)c(F)c2)C1 ZINC000774118764 627890008 /nfs/dbraw/zinc/89/00/08/627890008.db2.gz NDIVKUROWAYXEW-QWRGUYRKSA-N 0 1 293.317 2.575 20 30 CFEDMN Cc1ccnc(NN=Cc2ccc3c(c2)CCC(=O)N3C)c1 ZINC000774387890 627920498 /nfs/dbraw/zinc/92/04/98/627920498.db2.gz KFERNYQELZASOA-UHFFFAOYSA-N 0 1 294.358 2.745 20 30 CFEDMN CC(=NOC1CCOCC1)c1ccccc1N(C)C ZINC000774438417 627926452 /nfs/dbraw/zinc/92/64/52/627926452.db2.gz QOPDXVIZPHBPNS-UHFFFAOYSA-N 0 1 262.353 2.672 20 30 CFEDMN C#C[C@@H](C)N(C)Cc1ccc(OC)c(OCCC)c1 ZINC000775178452 627997966 /nfs/dbraw/zinc/99/79/66/627997966.db2.gz KBQSSVRDGKEJFV-CYBMUJFWSA-N 0 1 261.365 2.938 20 30 CFEDMN C#C[C@H](NCc1ccc(OC(F)(F)F)cc1)[C@@H]1CCCO1 ZINC000775339972 628011741 /nfs/dbraw/zinc/01/17/41/628011741.db2.gz DZTNKBPRWJCLHW-KBPBESRZSA-N 0 1 299.292 2.856 20 30 CFEDMN C#C[C@H](NCc1cc2cc(OC)ccc2o1)[C@H]1CCCO1 ZINC000775342006 628012698 /nfs/dbraw/zinc/01/26/98/628012698.db2.gz PBJHESVIUFQXFY-DOTOQJQBSA-N 0 1 285.343 2.712 20 30 CFEDMN C#C[C@@H](NCc1cccc(CCC)c1)[C@H]1CCCO1 ZINC000775344988 628013444 /nfs/dbraw/zinc/01/34/44/628013444.db2.gz LEEDRRCJDLMGDI-IAGOWNOFSA-N 0 1 257.377 2.910 20 30 CFEDMN C#C[C@@H](NCc1cc2cccc(OC)c2o1)[C@@H]1CCCO1 ZINC000775344978 628013542 /nfs/dbraw/zinc/01/35/42/628013542.db2.gz LAISIPGXKNOTFW-CABCVRRESA-N 0 1 285.343 2.712 20 30 CFEDMN C#C[C@H](NCc1ccc(OC(F)F)cc1)[C@@H]1CCCO1 ZINC000775347092 628014243 /nfs/dbraw/zinc/01/42/43/628014243.db2.gz XEMGUODYNTZQMJ-KBPBESRZSA-N 0 1 281.302 2.558 20 30 CFEDMN C#C[C@H](N[C@@H]1CCSc2ccccc21)[C@H]1CCCO1 ZINC000775573658 628041288 /nfs/dbraw/zinc/04/12/88/628041288.db2.gz IMQAHLJPAKOIOX-RRFJBIMHSA-N 0 1 273.401 2.994 20 30 CFEDMN C#C[C@H](N[C@@H](CC)c1cccc(OC)c1)[C@H]1CCCO1 ZINC000775573310 628041769 /nfs/dbraw/zinc/04/17/69/628041769.db2.gz GXIXIUBKEYDKCC-YESZJQIVSA-N 0 1 273.376 2.917 20 30 CFEDMN C#C[C@H](N[C@@H](C)c1ccc(OC)c(F)c1)[C@H]1CCCO1 ZINC000775575103 628042082 /nfs/dbraw/zinc/04/20/82/628042082.db2.gz UYIRMXGTFDXAIA-HZUKXOBISA-N 0 1 277.339 2.666 20 30 CFEDMN C=C(C)[C@@H](NCCN1CCOC1=O)c1ccc(F)c(F)c1 ZINC000775722905 628059390 /nfs/dbraw/zinc/05/93/90/628059390.db2.gz DZILYAXQDMFHFE-CQSZACIVSA-N 0 1 296.317 2.624 20 30 CFEDMN C#C[C@H](NCCOc1ccc(F)cc1Cl)[C@H]1CCCO1 ZINC000775790844 628068847 /nfs/dbraw/zinc/06/88/47/628068847.db2.gz JOJGENSLXAWPLG-DZGCQCFKSA-N 0 1 297.757 2.628 20 30 CFEDMN CCCCCCNC(=O)[C@@H]1CCCN(CC2(C#N)CC2)C1 ZINC000775961572 628088678 /nfs/dbraw/zinc/08/86/78/628088678.db2.gz NDLXTKGGEXSUKM-OAHLLOKOSA-N 0 1 291.439 2.699 20 30 CFEDMN C[C@H](NCc1cccc(F)n1)c1ccc(OCC#N)cc1 ZINC000776170865 628110257 /nfs/dbraw/zinc/11/02/57/628110257.db2.gz QKSPOBMZDLTFJL-LBPRGKRZSA-N 0 1 285.322 2.974 20 30 CFEDMN COC(=O)c1ccccc1N=NC1CCc2c1cccc2O ZINC000776189760 628114452 /nfs/dbraw/zinc/11/44/52/628114452.db2.gz RSLMIBVIPMFFIN-UHFFFAOYSA-N 0 1 296.326 2.941 20 30 CFEDMN C[C@@H](C(=O)OCCC(C)(C)C#N)N1CCCCCC1 ZINC000776385913 628140947 /nfs/dbraw/zinc/14/09/47/628140947.db2.gz IQOPRWLNAQMMEP-ZDUSSCGKSA-N 0 1 266.385 2.734 20 30 CFEDMN N#C[C@H](OC(=O)[C@H]1CCCc2[nH]ncc21)C1CCCCC1 ZINC000776395817 628142794 /nfs/dbraw/zinc/14/27/94/628142794.db2.gz BOSGDOXKJGKGHR-WFASDCNBSA-N 0 1 287.363 2.845 20 30 CFEDMN CC(C)(C#N)CCOC(=O)c1cccc(-c2nnc[nH]2)c1 ZINC000776399709 628143734 /nfs/dbraw/zinc/14/37/34/628143734.db2.gz NLXVERJESGTTSM-UHFFFAOYSA-N 0 1 284.319 2.568 20 30 CFEDMN Cc1cc2ccccc2nc1NN=Cc1c[nH]cn1 ZINC000776784545 628177272 /nfs/dbraw/zinc/17/72/72/628177272.db2.gz KNERDULMNJSZSE-UHFFFAOYSA-N 0 1 251.293 2.712 20 30 CFEDMN Cc1cc2ccccc2nc1NN=Cc1cnc[nH]1 ZINC000776784545 628177275 /nfs/dbraw/zinc/17/72/75/628177275.db2.gz KNERDULMNJSZSE-UHFFFAOYSA-N 0 1 251.293 2.712 20 30 CFEDMN Cc1cc2ccccc2nc1N=NCc1cncn1C ZINC000776785629 628177448 /nfs/dbraw/zinc/17/74/48/628177448.db2.gz YDRBWJFCFRCBSK-UHFFFAOYSA-N 0 1 265.320 2.723 20 30 CFEDMN Cc1cc(C#N)ccc1CN1CCCC[C@H]1C1OCCO1 ZINC000776786978 628177929 /nfs/dbraw/zinc/17/79/29/628177929.db2.gz GRIUZBRJBFIXNZ-INIZCTEOSA-N 0 1 286.375 2.594 20 30 CFEDMN CO[C@H](CN[C@H](C)c1cccc(C#N)c1)C(F)(F)F ZINC000777013949 628191781 /nfs/dbraw/zinc/19/17/81/628191781.db2.gz YCUHDPHZGFKEKQ-BXKDBHETSA-N 0 1 272.270 2.786 20 30 CFEDMN C=CCSc1ccccc1C(=O)NC1=NO[C@@H](C)C1 ZINC000777174575 628206121 /nfs/dbraw/zinc/20/61/21/628206121.db2.gz SREGGOMTWRXBSE-JTQLQIEISA-N 0 1 276.361 2.817 20 30 CFEDMN COc1cccc(C=NNc2cc(Cl)ccn2)c1O ZINC000777905532 628264000 /nfs/dbraw/zinc/26/40/00/628264000.db2.gz KYXXYILESZZJFZ-UHFFFAOYSA-N 0 1 277.711 2.895 20 30 CFEDMN CCC#C[C@@H](C)N1CCC(Oc2cncc(Cl)n2)CC1 ZINC000778181830 628284829 /nfs/dbraw/zinc/28/48/29/628284829.db2.gz PFLJOEFAMUFOPT-GFCCVEGCSA-N 0 1 293.798 2.775 20 30 CFEDMN CC[C@]1(O)CCN(Cc2cc(Cl)ccc2OCC#N)C1 ZINC000778389572 628303427 /nfs/dbraw/zinc/30/34/27/628303427.db2.gz ZQFDNNKMOWAILU-HNNXBMFYSA-N 0 1 294.782 2.589 20 30 CFEDMN CC[C@H](C)n1nc(C(=O)Nc2cc(C#N)ccc2O)cc1C ZINC000778398075 628304341 /nfs/dbraw/zinc/30/43/41/628304341.db2.gz KCDJTZXZPMEOCF-JTQLQIEISA-N 0 1 298.346 2.992 20 30 CFEDMN C#CCC(C)(C)COC(=O)[C@H](CC)N(CC)CC ZINC000778708934 628326583 /nfs/dbraw/zinc/32/65/83/628326583.db2.gz BXYFCJKGGZHHHN-ZDUSSCGKSA-N 0 1 253.386 2.700 20 30 CFEDMN C#CCOc1cccc(Cl)c1CN1CC[C@H]([C@H](C)O)C1 ZINC000779166229 628357639 /nfs/dbraw/zinc/35/76/39/628357639.db2.gz VZABQVOUXZTCBG-STQMWFEESA-N 0 1 293.794 2.555 20 30 CFEDMN C#CCOc1cccc(Cl)c1CN1C[C@@H](CC)[C@H](O)C1 ZINC000779168234 628357799 /nfs/dbraw/zinc/35/77/99/628357799.db2.gz MRRJTPBLSPDCAO-IUODEOHRSA-N 0 1 293.794 2.555 20 30 CFEDMN C#CCOc1cccc(Cl)c1CN1CC[C@@](O)(CC)C1 ZINC000779220153 628361051 /nfs/dbraw/zinc/36/10/51/628361051.db2.gz ZBCYAHDWHUJDMS-INIZCTEOSA-N 0 1 293.794 2.699 20 30 CFEDMN CC(C)(C)CCN[C@H]1CN(C(=O)OC(C)(C)C)C[C@@H]1C#N ZINC000779394676 628378106 /nfs/dbraw/zinc/37/81/06/628378106.db2.gz FFYBOLNPMBEGSV-STQMWFEESA-N 0 1 295.427 2.771 20 30 CFEDMN C#C[C@@](C)(CC)N[C@H](C)C(=O)N1CCCc2ccccc21 ZINC000852098283 634651750 /nfs/dbraw/zinc/65/17/50/634651750.db2.gz IXTYXCSEHIPQOF-KDOFPFPSSA-N 0 1 284.403 2.746 20 30 CFEDMN C#C[C@](C)(CC)N[C@H](C)C(=O)Nc1ccccc1C ZINC000852098658 634652171 /nfs/dbraw/zinc/65/21/71/634652171.db2.gz SAOZEIDOHKNZCI-CZUORRHYSA-N 0 1 258.365 2.714 20 30 CFEDMN C#C[C@](C)(CC)N[C@H](C)C(=O)Nc1c(F)cccc1F ZINC000852099052 634653028 /nfs/dbraw/zinc/65/30/28/634653028.db2.gz CMPKEMHGNFCNLQ-MEBBXXQBSA-N 0 1 280.318 2.683 20 30 CFEDMN C#C[C@@](C)(CC)N[C@H](C)C(=O)Nc1ccccc1CC ZINC000852099364 634653119 /nfs/dbraw/zinc/65/31/19/634653119.db2.gz KRUAUIUWJICNJZ-DYVFJYSZSA-N 0 1 272.392 2.968 20 30 CFEDMN CC(=NNC1=NC[C@H](C)N1)c1ccc(C(C)(C)C)cc1 ZINC000779798847 628407564 /nfs/dbraw/zinc/40/75/64/628407564.db2.gz IAJPTPWGAYVBSJ-NSHDSACASA-N 0 1 272.396 2.645 20 30 CFEDMN COc1cccc(N=NCc2c[nH]nc2-c2ccc(C)o2)n1 ZINC000779820009 628411168 /nfs/dbraw/zinc/41/11/68/628411168.db2.gz AJTWOMOMGLHBLA-UHFFFAOYSA-N 0 1 297.318 2.828 20 30 CFEDMN C#C[C@](C)(CC)N[C@@H](C)C(=O)Nc1cccc(C(C)=O)c1 ZINC000852100234 634654556 /nfs/dbraw/zinc/65/45/56/634654556.db2.gz GHPPLUNUTROUFU-YVEFUNNKSA-N 0 1 286.375 2.608 20 30 CFEDMN O=C1c2ccc(O)cc2C/C1=C/c1cc(O)ccc1[N+](=O)[O-] ZINC000780188502 628438035 /nfs/dbraw/zinc/43/80/35/628438035.db2.gz STKGEWKUWOIUIA-WDZFZDKYSA-N 0 1 297.266 2.828 20 30 CFEDMN COc1ccc(CN=Nc2cccc(C(F)(F)F)n2)cn1 ZINC000780227849 628441099 /nfs/dbraw/zinc/44/10/99/628441099.db2.gz TVISOCXIXNXRIH-UHFFFAOYSA-N 0 1 296.252 2.950 20 30 CFEDMN C(=NN[C@H]1CCCOC1)c1ccc(N2CCCCC2)s1 ZINC000780261568 628447440 /nfs/dbraw/zinc/44/74/40/628447440.db2.gz NQUSGCUVZXSFNG-ZDUSSCGKSA-N 0 1 293.436 2.841 20 30 CFEDMN COc1ccc(N=NCc2c(OC)cccc2OC)nc1 ZINC000780269987 628448792 /nfs/dbraw/zinc/44/87/92/628448792.db2.gz BCCKMEXSKCWHBF-UHFFFAOYSA-N 0 1 287.319 2.553 20 30 CFEDMN COc1ccc(N=NCc2ccc(OC)cc2OC)nc1 ZINC000780270694 628448859 /nfs/dbraw/zinc/44/88/59/628448859.db2.gz KYNCZTCLVUZRLW-UHFFFAOYSA-N 0 1 287.319 2.553 20 30 CFEDMN COc1ccc(NN=C(C)c2cccc(NC(C)=O)c2)nc1 ZINC000780274539 628449219 /nfs/dbraw/zinc/44/92/19/628449219.db2.gz FAVDPSNXZVGPEF-UHFFFAOYSA-N 0 1 298.346 2.885 20 30 CFEDMN COc1ccc(NN=Cc2ccc(-n3ccnc3)cc2)nc1 ZINC000780275119 628449612 /nfs/dbraw/zinc/44/96/12/628449612.db2.gz QFXUCTFEALRLLF-UHFFFAOYSA-N 0 1 293.330 2.722 20 30 CFEDMN Cc1nc(CN=Nc2ncncc2Cl)c2ccccn12 ZINC000780279340 628449729 /nfs/dbraw/zinc/44/97/29/628449729.db2.gz BVXKMOUQVIZIET-UHFFFAOYSA-N 0 1 286.726 2.532 20 30 CFEDMN C#C[C@](C)(CC)N[C@H]1CCN(c2ccc(Cl)cc2)C1=O ZINC000852102673 634656387 /nfs/dbraw/zinc/65/63/87/634656387.db2.gz NEZPJLRPAQDIDF-GOEBONIOSA-N 0 1 290.794 2.837 20 30 CFEDMN C#C[C@@](C)(CC)N[C@@H](C)C(=O)Nc1cc(C)ccc1OC ZINC000852101993 634656828 /nfs/dbraw/zinc/65/68/28/634656828.db2.gz VHTVFUAXFWTSGR-GUYCJALGSA-N 0 1 288.391 2.722 20 30 CFEDMN C#C[C@@](C)(CC)N[C@H](CCCC)C(=O)Nc1cc(C)on1 ZINC000852101537 634656917 /nfs/dbraw/zinc/65/69/17/634656917.db2.gz RVMQCGLBLLAEKG-CJNGLKHVSA-N 0 1 291.395 2.872 20 30 CFEDMN C#C[C@@](C)(CC)N[C@H]1CCCN(c2cccc(F)c2)C1=O ZINC000852102964 634657617 /nfs/dbraw/zinc/65/76/17/634657617.db2.gz USYSTGPRHOLNJV-RDJZCZTQSA-N 0 1 288.366 2.713 20 30 CFEDMN C#C[C@@](C)(CC)N[C@H]1CCN(c2ccccc2Cl)C1=O ZINC000852102722 634658007 /nfs/dbraw/zinc/65/80/07/634658007.db2.gz OWPXFNLPOVMEEM-BBRMVZONSA-N 0 1 290.794 2.837 20 30 CFEDMN C[C@@H](C#N)Oc1ccc(CNCc2ccc(C#N)cn2)cc1 ZINC000780555066 628475647 /nfs/dbraw/zinc/47/56/47/628475647.db2.gz DOOOZDZHOKRJSE-ZDUSSCGKSA-N 0 1 292.342 2.534 20 30 CFEDMN CCSCCC=Nn1c(=O)c2ccccc2[nH]c1=S ZINC000781123704 628523368 /nfs/dbraw/zinc/52/33/68/628523368.db2.gz GKFQZEZEBPSWFP-UHFFFAOYSA-N 0 1 293.417 2.662 20 30 CFEDMN C#CCOc1ccc(CN2CCC[C@H](OC(F)F)C2)cc1 ZINC000781532375 628557170 /nfs/dbraw/zinc/55/71/70/628557170.db2.gz OZDRDABIOHROOJ-HNNXBMFYSA-N 0 1 295.329 2.902 20 30 CFEDMN CC1(C)CC[C@H](C(=O)C(C#N)C(=O)NC2CCCCC2)C1 ZINC000781762784 628578184 /nfs/dbraw/zinc/57/81/84/628578184.db2.gz TUQKVHFIZUCVQG-GXTWGEPZSA-N 0 1 290.407 2.970 20 30 CFEDMN CC1(C)CC[C@H](C(=O)C(C#N)C(=O)Nc2ccccn2)C1 ZINC000781773843 628579785 /nfs/dbraw/zinc/57/97/85/628579785.db2.gz VLZKQHHQFJLQBQ-NWDGAFQWSA-N 0 1 285.347 2.555 20 30 CFEDMN C=CC[C@H]1CCCC[C@@H]1NC(=O)NCc1cc(CC)[nH]n1 ZINC000852129937 634666735 /nfs/dbraw/zinc/66/67/35/634666735.db2.gz GDTQZVDQOCDFNT-WFASDCNBSA-N 0 1 290.411 2.906 20 30 CFEDMN C#CCCN1CCN(Cc2ccc(Cl)cc2F)CC1 ZINC000781904725 628590449 /nfs/dbraw/zinc/59/04/49/628590449.db2.gz SFRCJIPTERBWED-UHFFFAOYSA-N 0 1 280.774 2.620 20 30 CFEDMN N#CCC1CCN(C[C@@H](O)c2c(F)cccc2F)CC1 ZINC000782089800 628603667 /nfs/dbraw/zinc/60/36/67/628603667.db2.gz WVTUIKAVTVSTMT-CQSZACIVSA-N 0 1 280.318 2.624 20 30 CFEDMN COc1cc(C(C)=NNc2nc3ccccc3[nH]2)ccn1 ZINC000782128450 628606194 /nfs/dbraw/zinc/60/61/94/628606194.db2.gz XULFEXKLTFOREI-UHFFFAOYSA-N 0 1 281.319 2.803 20 30 CFEDMN C[C@@H](C1CC1)[N@H+]1CCO[C@H](c2cccc(C#N)c2)C1 ZINC000782189934 628612340 /nfs/dbraw/zinc/61/23/40/628612340.db2.gz KGAQMSXCKNAACP-LRDDRELGSA-N 0 1 256.349 2.730 20 30 CFEDMN C[C@@H](C1CC1)N1CCO[C@H](c2cccc(C#N)c2)C1 ZINC000782189934 628612341 /nfs/dbraw/zinc/61/23/41/628612341.db2.gz KGAQMSXCKNAACP-LRDDRELGSA-N 0 1 256.349 2.730 20 30 CFEDMN Cn1c2ccccc2nc1NN=C1COCc2ccccc21 ZINC000782202669 628613771 /nfs/dbraw/zinc/61/37/71/628613771.db2.gz JBRPFMKAMDUAMD-UHFFFAOYSA-N 0 1 292.342 2.920 20 30 CFEDMN CN(C)c1nccc(N=NCc2ccc3cnccc3c2)n1 ZINC000782232749 628617826 /nfs/dbraw/zinc/61/78/26/628617826.db2.gz QBEZXNCNFRPFIL-UHFFFAOYSA-N 0 1 292.346 2.537 20 30 CFEDMN Cc1cc[nH+]c([N-]N=Cc2c(F)cc(C#N)cc2F)c1 ZINC000782243264 628619044 /nfs/dbraw/zinc/61/90/44/628619044.db2.gz SFHMSVQFIDXQQF-UHFFFAOYSA-N 0 1 272.258 2.986 20 30 CFEDMN COc1ccc2c(c1)[C@@H](NCc1ccc(C#N)cn1)CC2 ZINC000783292949 628697820 /nfs/dbraw/zinc/69/78/20/628697820.db2.gz DWBPANLEVMSQLE-KRWDZBQOSA-N 0 1 279.343 2.739 20 30 CFEDMN C[C@H]1Cc2ccccc2[C@H]1NCc1ccc(C#N)cn1 ZINC000783300485 628698931 /nfs/dbraw/zinc/69/89/31/628698931.db2.gz NGIMMCGRMSRHCS-SJCJKPOMSA-N 0 1 263.344 2.976 20 30 CFEDMN CCCCCCNC(=O)C(C#N)C(=O)[C@H]1CCCCS1 ZINC000783346321 628700674 /nfs/dbraw/zinc/70/06/74/628700674.db2.gz DSOMCAMHNFJEEZ-CHWSQXEVSA-N 0 1 296.436 2.677 20 30 CFEDMN C=CCCN(OCc1ccccc1)C(=O)c1cnc(C)[nH]1 ZINC000783873011 628752486 /nfs/dbraw/zinc/75/24/86/628752486.db2.gz QZOROFDWRMBZJQ-UHFFFAOYSA-N 0 1 285.347 2.868 20 30 CFEDMN C=C(Cl)CN1[C@H](C)[C@H](C(=O)OCC)CC[C@@H]1C ZINC000852203234 634686985 /nfs/dbraw/zinc/68/69/85/634686985.db2.gz WFDUCROKDPNFPS-QJPTWQEYSA-N 0 1 259.777 2.791 20 30 CFEDMN C=CCCN(C)Cn1nc(C)c(Br)c1C ZINC000786100664 628936949 /nfs/dbraw/zinc/93/69/49/628936949.db2.gz DFQFWHUXXQDUHG-UHFFFAOYSA-N 0 1 272.190 2.728 20 30 CFEDMN Cc1ccc2c(c1)CCN2C(=O)c1ccc(C#N)c(O)c1 ZINC000785412929 628880261 /nfs/dbraw/zinc/88/02/61/628880261.db2.gz BYVDSXIHRORLQF-UHFFFAOYSA-N 0 1 278.311 2.775 20 30 CFEDMN Cc1cc(C=NNc2cc(Cl)nc(C)n2)sn1 ZINC000785457182 628884470 /nfs/dbraw/zinc/88/44/70/628884470.db2.gz FUNMZSRNOGSHDC-UHFFFAOYSA-N 0 1 267.745 2.649 20 30 CFEDMN Cc1cc(C#N)ccc1COC(=O)CN1[C@H](C)CC[C@H]1C ZINC000785745203 628910458 /nfs/dbraw/zinc/91/04/58/628910458.db2.gz ZGOCZPKATCSGSO-ZIAGYGMSSA-N 0 1 286.375 2.783 20 30 CFEDMN CCC#C[C@H](C)N1CC[C@H](NC(=O)OC(C)(C)C)[C@@H]1C ZINC000805799469 628941688 /nfs/dbraw/zinc/94/16/88/628941688.db2.gz DFICVXXJAFFTTP-IHRRRGAJSA-N 0 1 280.412 2.776 20 30 CFEDMN C=CCC[C@H](C)OC(=O)[C@@H](NC(=O)C(F)(F)F)C(C)C ZINC000786775959 628978643 /nfs/dbraw/zinc/97/86/43/628978643.db2.gz DTQUEBKJYJNUTK-UWVGGRQHSA-N 0 1 295.301 2.587 20 30 CFEDMN O=C(OCC#Cc1ccccc1)[C@H]1CCCN1C1CCCC1 ZINC000786884899 628983412 /nfs/dbraw/zinc/98/34/12/628983412.db2.gz XYDKLFVQCFRHJC-GOSISDBHSA-N 0 1 297.398 2.988 20 30 CFEDMN CC[C@@H](NC(=O)C(C#N)C(=O)[C@H]1C[C@@H]1C)c1ccccc1 ZINC000787047263 628990314 /nfs/dbraw/zinc/99/03/14/628990314.db2.gz UZZIZHHXHBVMMQ-SPWCGHHHSA-N 0 1 284.359 2.619 20 30 CFEDMN CC(=O)C(C#N)C(=O)N[C@H](C)c1ccc(Cl)cc1Cl ZINC000787051903 628990677 /nfs/dbraw/zinc/99/06/77/628990677.db2.gz VQXCQSCWJQLONB-RDDDGLTNSA-N 0 1 299.157 2.899 20 30 CFEDMN C#CCN1CCCC[C@@H]1COC(=O)NC1CCCCC1 ZINC000805827896 628993324 /nfs/dbraw/zinc/99/33/24/628993324.db2.gz ZSUNRPDBMQSKGX-OAHLLOKOSA-N 0 1 278.396 2.533 20 30 CFEDMN CC(=NNCCN1CCCCC1)c1cnn(C(C)C)c1C ZINC000787153702 628996664 /nfs/dbraw/zinc/99/66/64/628996664.db2.gz OZINGLVKCLXXGV-UHFFFAOYSA-N 0 1 291.443 2.572 20 30 CFEDMN N#CCCCCCC(=O)C(C#N)C(=O)NC1CCCCC1 ZINC000805854443 629038054 /nfs/dbraw/zinc/03/80/54/629038054.db2.gz VVUAIYYQZYEGDT-AWEZNQCLSA-N 0 1 289.379 2.618 20 30 CFEDMN Cc1cc(C(C#N)C(=O)CCCCCC#N)nc(C)n1 ZINC000805854497 629038532 /nfs/dbraw/zinc/03/85/32/629038532.db2.gz WWNPHBOMWJKPLR-CYBMUJFWSA-N 0 1 270.336 2.744 20 30 CFEDMN C#CCC1(C(=O)N2CCN(C)[C@H](C)[C@H]2C)CCCCC1 ZINC000788238325 629052563 /nfs/dbraw/zinc/05/25/63/629052563.db2.gz LJDQQENWEBXAOL-HUUCEWRRSA-N 0 1 276.424 2.511 20 30 CFEDMN CC#CC(=O)N1CCN(Cc2ccccc2)[C@H](CCC)C1 ZINC000788307718 629057915 /nfs/dbraw/zinc/05/79/15/629057915.db2.gz FVNBLATWQKOXOB-QGZVFWFLSA-N 0 1 284.403 2.523 20 30 CFEDMN Cc1cc(C(=O)/C=C\c2cc(F)c(O)c(F)c2)n(C)n1 ZINC000789155544 629130123 /nfs/dbraw/zinc/13/01/23/629130123.db2.gz BUKUXFWUSXXGRR-ARJAWSKDSA-N 0 1 278.258 2.608 20 30 CFEDMN N#CC(C(=O)[C@H]1CC(=O)c2ccccc21)c1ccccn1 ZINC000789345549 629149207 /nfs/dbraw/zinc/14/92/07/629149207.db2.gz SSCRBWDJDPJFPD-KBPBESRZSA-N 0 1 276.295 2.628 20 30 CFEDMN CC(C)(C)[C@@H](C#N)OC(=O)c1ccc(-c2nnc[nH]2)cc1 ZINC000789804102 629189336 /nfs/dbraw/zinc/18/93/36/629189336.db2.gz GVZBLSWIBZMBKV-GFCCVEGCSA-N 0 1 284.319 2.567 20 30 CFEDMN Cc1cccnc1N=NCc1cccc2c1OCO2 ZINC000790187343 629217512 /nfs/dbraw/zinc/21/75/12/629217512.db2.gz WKFKSCGUGLAPHV-UHFFFAOYSA-N 0 1 255.277 2.565 20 30 CFEDMN CCOc1cccc(C=NNc2ncccc2C)n1 ZINC000790190300 629218282 /nfs/dbraw/zinc/21/82/82/629218282.db2.gz IUVKWFFJCGZCKN-UHFFFAOYSA-N 0 1 256.309 2.630 20 30 CFEDMN Cc1cccnc1N=NC1CCC(=O)Nc2ccccc21 ZINC000790193809 629218461 /nfs/dbraw/zinc/21/84/61/629218461.db2.gz NYIFHTNRQDIVCA-UHFFFAOYSA-N 0 1 280.331 2.939 20 30 CFEDMN CC(=NNc1nccn1C)c1ccc(OC(F)F)cc1 ZINC000790299462 629226778 /nfs/dbraw/zinc/22/67/78/629226778.db2.gz BXTMDWHSXLVWKS-UHFFFAOYSA-N 0 1 280.278 2.858 20 30 CFEDMN CC(=NNc1nccn1C)c1ccc(C)c(C)c1O ZINC000790305835 629228864 /nfs/dbraw/zinc/22/88/64/629228864.db2.gz OVVWKEFLUBTMFY-UHFFFAOYSA-N 0 1 258.325 2.579 20 30 CFEDMN CC(=N[N-]c1[nH+]ccn1C)c1ccc(C)c(C)c1O ZINC000790305835 629228866 /nfs/dbraw/zinc/22/88/66/629228866.db2.gz OVVWKEFLUBTMFY-UHFFFAOYSA-N 0 1 258.325 2.579 20 30 CFEDMN CC(=NNc1nccn1C)c1ccc(C#N)cc1Cl ZINC000790305684 629229080 /nfs/dbraw/zinc/22/90/80/629229080.db2.gz MKYWLYMXPVQOOK-UHFFFAOYSA-N 0 1 273.727 2.781 20 30 CFEDMN O=C(OCC#Cc1ccccc1)c1c(F)cc(O)cc1F ZINC000791385082 629306958 /nfs/dbraw/zinc/30/69/58/629306958.db2.gz JRXSJTFVVWKLED-UHFFFAOYSA-N 0 1 288.249 2.879 20 30 CFEDMN C#CCN(C/C=C\c1ccc(N(C)C)cc1)C1CC1 ZINC000835044367 629339016 /nfs/dbraw/zinc/33/90/16/629339016.db2.gz BMBHHJDQGLEBGE-WAYWQWQTSA-N 0 1 254.377 2.863 20 30 CFEDMN N#C[C@H](C(=O)CC1CC(F)(F)C1)C(=O)NC1CCCCC1 ZINC000835061803 629363970 /nfs/dbraw/zinc/36/39/70/629363970.db2.gz OWGWYUXBVKMCFN-GFCCVEGCSA-N 0 1 298.333 2.580 20 30 CFEDMN C=CCNC(=O)C(C#N)C(=O)C(CC(C)C)CC(C)C ZINC000835063514 629365417 /nfs/dbraw/zinc/36/54/17/629365417.db2.gz ZONIUDYCEIREEF-CQSZACIVSA-N 0 1 278.396 2.706 20 30 CFEDMN C=CCN(C[C@@H](O)c1ccc(F)cc1F)[C@@H](C)COC ZINC000852358538 634732226 /nfs/dbraw/zinc/73/22/26/634732226.db2.gz VWSNLFRTGOUHMK-XHDPSFHLSA-N 0 1 285.334 2.521 20 30 CFEDMN N#CC(C(=O)[C@H]1CCCOC1)c1nccc2ccccc21 ZINC000792094029 629397191 /nfs/dbraw/zinc/39/71/91/629397191.db2.gz MCAKCBJHMKXFCR-ZFWWWQNUSA-N 0 1 280.327 2.838 20 30 CFEDMN CCN(CCC#N)Cc1c(O)ccc(Cl)c1F ZINC000792162630 629404288 /nfs/dbraw/zinc/40/42/88/629404288.db2.gz PRLBLWXIBRRIGP-UHFFFAOYSA-N 0 1 256.708 2.920 20 30 CFEDMN COCCN(CCC#N)Cc1c(O)ccc(Cl)c1F ZINC000792168032 629405136 /nfs/dbraw/zinc/40/51/36/629405136.db2.gz YJYCZPDHHXDMHA-UHFFFAOYSA-N 0 1 286.734 2.547 20 30 CFEDMN C=CCN(C[C@@H]1CC1(Cl)Cl)[C@@H](C)COC ZINC000852360237 634733327 /nfs/dbraw/zinc/73/33/27/634733327.db2.gz WKWPHBVWPJSKQY-UWVGGRQHSA-N 0 1 252.185 2.703 20 30 CFEDMN C#CCCN1CCC[C@]1(Cc1ccccc1)C(=O)OCC ZINC000792336183 629421485 /nfs/dbraw/zinc/42/14/85/629421485.db2.gz PRVUDVBLGUXGNJ-SFHVURJKSA-N 0 1 285.387 2.650 20 30 CFEDMN N#Cc1ccc(COC(=O)c2ccc3cncn3c2)cc1 ZINC000792551434 629433066 /nfs/dbraw/zinc/43/30/66/629433066.db2.gz LXPZLLAMKUUNGH-UHFFFAOYSA-N 0 1 277.283 2.563 20 30 CFEDMN CC[C@@H](C)CON=Cc1cn(-c2ccncc2)nc1C ZINC000793146003 629493007 /nfs/dbraw/zinc/49/30/07/629493007.db2.gz NUUTZHNYECTPND-GFCCVEGCSA-N 0 1 272.352 2.972 20 30 CFEDMN COC(=O)c1ccc(CN=Nc2cccc(Cl)n2)o1 ZINC000793162652 629495050 /nfs/dbraw/zinc/49/50/50/629495050.db2.gz BMUUYNUHRHTBKO-UHFFFAOYSA-N 0 1 279.683 2.561 20 30 CFEDMN CC(=NNc1cccc(Cl)n1)c1coc(C)n1 ZINC000793174911 629498618 /nfs/dbraw/zinc/49/86/18/629498618.db2.gz NWSJPCDUGQOBMI-UHFFFAOYSA-N 0 1 250.689 2.868 20 30 CFEDMN Oc1ccc(C=NNc2cccc(Cl)n2)cc1O ZINC000793174685 629498665 /nfs/dbraw/zinc/49/86/65/629498665.db2.gz MUNCPUXOJHZFFZ-UHFFFAOYSA-N 0 1 263.684 2.592 20 30 CFEDMN C#CCOc1ccc(CN2CCC(F)(F)CC2)cc1 ZINC000793362934 629531259 /nfs/dbraw/zinc/53/12/59/629531259.db2.gz XXTAAAYWRFHDTQ-UHFFFAOYSA-N 0 1 265.303 2.930 20 30 CFEDMN CC(=NNc1nc2ccccc2[nH]1)c1ccnc(F)c1 ZINC000794860522 629696903 /nfs/dbraw/zinc/69/69/03/629696903.db2.gz RNLTXHAPATWJJA-UHFFFAOYSA-N 0 1 269.283 2.933 20 30 CFEDMN CC(N=Nc1ccccc1F)c1ccc2c(c1)OCC(=O)N2 ZINC000794886952 629699673 /nfs/dbraw/zinc/69/96/73/629699673.db2.gz AZYLXGQHHRNXKG-UHFFFAOYSA-N 0 1 299.305 2.993 20 30 CFEDMN Cn1cc[nH+]c1[N-]N=Cc1cscc1Br ZINC000794935827 629707135 /nfs/dbraw/zinc/70/71/35/629707135.db2.gz LBVWOCVALOITAA-UHFFFAOYSA-N 0 1 285.170 2.690 20 30 CFEDMN COCCN(C)N=Cc1ccc(N2CCCCC2)s1 ZINC000794969434 629712403 /nfs/dbraw/zinc/71/24/03/629712403.db2.gz FNOWUCJLTRQBOF-UHFFFAOYSA-N 0 1 281.425 2.651 20 30 CFEDMN COc1cc(C=NNc2cncnc2)ccc1SC ZINC000794976188 629713653 /nfs/dbraw/zinc/71/36/53/629713653.db2.gz GVGDTPSGTVIYCR-UHFFFAOYSA-N 0 1 274.349 2.653 20 30 CFEDMN COc1cccc(CN=Nc2cncnc2)c1OC(F)F ZINC000794979167 629714885 /nfs/dbraw/zinc/71/48/85/629714885.db2.gz CPVRVRGIALPAER-UHFFFAOYSA-N 0 1 294.261 2.533 20 30 CFEDMN COc1ccc(Cl)cc1C(C)=NNc1cncnc1 ZINC000794979343 629715956 /nfs/dbraw/zinc/71/59/56/629715956.db2.gz FUAJMTXEYHOVKZ-UHFFFAOYSA-N 0 1 276.727 2.975 20 30 CFEDMN Cc1cc(N)cc(C)c1C=[NH+][N-]c1ncccc1F ZINC000794981542 629716894 /nfs/dbraw/zinc/71/68/94/629716894.db2.gz WXPOMYWQDMQLMM-UHFFFAOYSA-N 0 1 258.300 2.866 20 30 CFEDMN COc1ccc(C=NNc2cccc(F)n2)s1 ZINC000795007009 629723073 /nfs/dbraw/zinc/72/30/73/629723073.db2.gz XFKWZENXRCQSFP-UHFFFAOYSA-N 0 1 251.286 2.737 20 30 CFEDMN N#Cc1ccc(CN=Nc2cccc(F)n2)c(F)c1 ZINC000795007242 629723080 /nfs/dbraw/zinc/72/30/80/629723080.db2.gz VZKBBSRUTKBKDL-UHFFFAOYSA-N 0 1 258.231 2.677 20 30 CFEDMN C#CCSCCNc1cc[nH+]c2c([O-])cccc12 ZINC000795100134 629734140 /nfs/dbraw/zinc/73/41/40/629734140.db2.gz HGZODHBBUOKGHF-UHFFFAOYSA-N 0 1 258.346 2.719 20 30 CFEDMN C#CCCCCCC(=O)OCc1nc(C(C)C)n[nH]1 ZINC000795513674 629791092 /nfs/dbraw/zinc/79/10/92/629791092.db2.gz RIQNKMCWRSYJNG-UHFFFAOYSA-N 0 1 263.341 2.555 20 30 CFEDMN C#CCCCCCC(=O)OCc1n[nH]c(C(C)C)n1 ZINC000795513674 629791093 /nfs/dbraw/zinc/79/10/93/629791093.db2.gz RIQNKMCWRSYJNG-UHFFFAOYSA-N 0 1 263.341 2.555 20 30 CFEDMN C[C@H]1C[C@@H](c2ccccc2)N(Cn2cccc(C#N)c2=O)C1 ZINC000795744008 629829047 /nfs/dbraw/zinc/82/90/47/629829047.db2.gz KUCOGLZKQKIILO-YOEHRIQHSA-N 0 1 293.370 2.761 20 30 CFEDMN CCc1nc(COC(=O)c2ccc(C(C)(C)C#N)cc2)n[nH]1 ZINC000796040978 629868132 /nfs/dbraw/zinc/86/81/32/629868132.db2.gz WLAJMWNNOTXWKR-UHFFFAOYSA-N 0 1 298.346 2.525 20 30 CFEDMN Cc1ccncc1CN(C)Cc1ccc(OCC#N)cc1 ZINC000796511165 629928553 /nfs/dbraw/zinc/92/85/53/629928553.db2.gz VTBUUENDBQODLK-UHFFFAOYSA-N 0 1 281.359 2.924 20 30 CFEDMN Cc1cc([C@@H](C#N)C(=O)[C@H]2Cc3ccc(F)cc32)nc(C)n1 ZINC000796633615 629943022 /nfs/dbraw/zinc/94/30/22/629943022.db2.gz QPKPRCQHCSRKNW-LSDHHAIUSA-N 0 1 295.317 2.749 20 30 CFEDMN CO[C@H](C(=O)C(C#N)c1nc2ccccc2s1)C1CC1 ZINC000796631388 629943224 /nfs/dbraw/zinc/94/32/24/629943224.db2.gz YWQRVZXYUOMULJ-YGRLFVJLSA-N 0 1 286.356 2.898 20 30 CFEDMN C#CCN(Cc1ccccc1)C[C@H](O)c1cccc(F)c1 ZINC000796634092 629943440 /nfs/dbraw/zinc/94/34/40/629943440.db2.gz YKBIVJISQBYCQZ-SFHVURJKSA-N 0 1 283.346 2.995 20 30 CFEDMN CO[C@H](C)CN(C)Cc1cc(Cl)ccc1OCC#N ZINC000796638883 629943457 /nfs/dbraw/zinc/94/34/57/629943457.db2.gz BQGPIIDJLZTOMU-LLVKDONJSA-N 0 1 282.771 2.709 20 30 CFEDMN C#CCN(Cc1ccccc1)C[C@@H](O)c1cccc(F)c1 ZINC000796634050 629943486 /nfs/dbraw/zinc/94/34/86/629943486.db2.gz YKBIVJISQBYCQZ-GOSISDBHSA-N 0 1 283.346 2.995 20 30 CFEDMN Cc1cc(C(C#N)C(=O)C2CC(C)(C)C2)nc(C)n1 ZINC000796775147 629963987 /nfs/dbraw/zinc/96/39/87/629963987.db2.gz JFEQNZPFXVRKSY-LBPRGKRZSA-N 0 1 257.337 2.706 20 30 CFEDMN CC1(C)CC(CC(=O)C(C#N)C(=O)Nc2ccccn2)C1 ZINC000796774373 629964176 /nfs/dbraw/zinc/96/41/76/629964176.db2.gz DXCIQWHLKHNLDN-GFCCVEGCSA-N 0 1 285.347 2.555 20 30 CFEDMN C#CC[N@@H+]1CCC[C@@H]1COC(=O)Cc1coc2ccccc12 ZINC000796988943 630000661 /nfs/dbraw/zinc/00/06/61/630000661.db2.gz NEZRVJLHPFXUKS-OAHLLOKOSA-N 0 1 297.354 2.616 20 30 CFEDMN C#CCN1CCC[C@@H]1COC(=O)Cc1coc2ccccc12 ZINC000796988943 630000663 /nfs/dbraw/zinc/00/06/63/630000663.db2.gz NEZRVJLHPFXUKS-OAHLLOKOSA-N 0 1 297.354 2.616 20 30 CFEDMN N#C[C@@H](C(=O)C1CC(c2ccc(F)cc2)C1)c1ccncn1 ZINC000797076575 630013595 /nfs/dbraw/zinc/01/35/95/630013595.db2.gz KTPKLWXVJLNULP-SSDMNJCBSA-N 0 1 295.317 2.986 20 30 CFEDMN Cc1ccccc1NC(=O)C[C@@H](C)NCC1(C#N)CC1 ZINC000797604843 630087187 /nfs/dbraw/zinc/08/71/87/630087187.db2.gz DKJCUPZTTYXOAC-CYBMUJFWSA-N 0 1 271.364 2.606 20 30 CFEDMN CCC(CC)NN=C(C)c1ccc(N)c([N+](=O)[O-])c1 ZINC000799109755 630275842 /nfs/dbraw/zinc/27/58/42/630275842.db2.gz KYNZAJXCWFTNMD-UHFFFAOYSA-N 0 1 264.329 2.679 20 30 CFEDMN CC(C)(C)CCCC(=O)C(C#N)C(=O)N1CCCC1 ZINC000103637472 630296824 /nfs/dbraw/zinc/29/68/24/630296824.db2.gz QNBGWYJAODSYHN-LBPRGKRZSA-N 0 1 264.369 2.534 20 30 CFEDMN Cn1ccnc1CN=Nc1ccc(C#N)cc1C(F)(F)F ZINC000799492062 630315103 /nfs/dbraw/zinc/31/51/03/630315103.db2.gz LNIWBYXGVLQQBM-UHFFFAOYSA-N 0 1 293.252 2.757 20 30 CFEDMN COc1cc(/C=C\C(=O)c2ccc(O)cc2O)ccc1C#N ZINC000799497519 630315704 /nfs/dbraw/zinc/31/57/04/630315704.db2.gz SXZRIBBMFZBZQZ-CLTKARDFSA-N 0 1 295.294 2.874 20 30 CFEDMN N#CC(C(=O)NC1CCCC1)C(=O)[C@@H]1CCCC(F)(F)C1 ZINC000800385718 630376798 /nfs/dbraw/zinc/37/67/98/630376798.db2.gz DKOOQDXBEOIOIR-ZYHUDNBSSA-N 0 1 298.333 2.580 20 30 CFEDMN C#CCN(Cc1ccc(OC)cc1OC)CC1CCC1 ZINC000801583106 630459987 /nfs/dbraw/zinc/45/99/87/630459987.db2.gz MMSCAHFZIUMBBL-UHFFFAOYSA-N 0 1 273.376 2.939 20 30 CFEDMN C[C@@H](C#N)OCCN1CC=C(c2ccc(F)cc2)CC1 ZINC000801910697 630485266 /nfs/dbraw/zinc/48/52/66/630485266.db2.gz PTCYDPRYPRFQPH-ZDUSSCGKSA-N 0 1 274.339 2.843 20 30 CFEDMN C[C@@H](C#N)OCCN1CCC(C(=O)c2ccccc2)CC1 ZINC000801909707 630485351 /nfs/dbraw/zinc/48/53/51/630485351.db2.gz HHSZJNCFWCHDNQ-AWEZNQCLSA-N 0 1 286.375 2.510 20 30 CFEDMN C=CCN(CCO[C@@H](C)C#N)Cc1cccc([N+](=O)[O-])c1 ZINC000801914668 630486705 /nfs/dbraw/zinc/48/67/05/630486705.db2.gz ZVYACLUFVRFZPD-ZDUSSCGKSA-N 0 1 289.335 2.511 20 30 CFEDMN C[C@H](C#N)OCC[N@@H+](CCC(F)(F)F)CC1CC1 ZINC000801925886 630487945 /nfs/dbraw/zinc/48/79/45/630487945.db2.gz KFIMLZPUYBAKJE-SNVBAGLBSA-N 0 1 264.291 2.579 20 30 CFEDMN C[C@@H](C#N)OCCN1CCc2cc(F)ccc2[C@H]1C ZINC000801923062 630488760 /nfs/dbraw/zinc/48/87/60/630488760.db2.gz XWCUHRMCBKCMGL-NWDGAFQWSA-N 0 1 262.328 2.673 20 30 CFEDMN C[C@@H](C#N)OCCN[C@H](c1ccccc1)c1ccccn1 ZINC000801929447 630490391 /nfs/dbraw/zinc/49/03/91/630490391.db2.gz NYCCBSCJYOKKEX-WMLDXEAASA-N 0 1 281.359 2.689 20 30 CFEDMN C[C@@H](NCCO[C@@H](C)C#N)c1cccc(F)c1F ZINC000801938506 630492405 /nfs/dbraw/zinc/49/24/05/630492405.db2.gz FQDWNRCGLSTYKP-VHSXEESVSA-N 0 1 254.280 2.544 20 30 CFEDMN Cc1nc(Cl)ccc1C(=O)C(C#N)c1ccccn1 ZINC000802040315 630498554 /nfs/dbraw/zinc/49/85/54/630498554.db2.gz KKUNTBAFGQTIJH-NSHDSACASA-N 0 1 271.707 2.929 20 30 CFEDMN C#CCN1CCC[C@H]1COC(=O)Cc1ccc(Cl)s1 ZINC000802076269 630501222 /nfs/dbraw/zinc/50/12/22/630501222.db2.gz XYWQBPITOVIGAD-NSHDSACASA-N 0 1 297.807 2.585 20 30 CFEDMN CC(C)(C)c1cnc(C(C#N)C(=O)C2=CCOCC2)s1 ZINC000802249820 630519242 /nfs/dbraw/zinc/51/92/42/630519242.db2.gz GSVPCMUQXKIBBK-LLVKDONJSA-N 0 1 290.388 2.964 20 30 CFEDMN CC(C)(C)c1cnc([C@H](C#N)C(=O)C2=CCOCC2)s1 ZINC000802249820 630519243 /nfs/dbraw/zinc/51/92/43/630519243.db2.gz GSVPCMUQXKIBBK-LLVKDONJSA-N 0 1 290.388 2.964 20 30 CFEDMN C#CCCN(CCOC)Cc1ccccc1OCC ZINC000852752592 634825856 /nfs/dbraw/zinc/82/58/56/634825856.db2.gz DMBQSSJPBODINV-UHFFFAOYSA-N 0 1 261.365 2.557 20 30 CFEDMN CC(C)[C@@H](C(=O)OCC#Cc1ccccc1Cl)N(C)C ZINC000803493340 630623021 /nfs/dbraw/zinc/62/30/21/630623021.db2.gz LKLARFCNYJIRBY-HNNXBMFYSA-N 0 1 293.794 2.821 20 30 CFEDMN C=CCC[C@H](C(=O)NO[C@@H](CO)C(C)C)c1ccccc1 ZINC000836894573 630910705 /nfs/dbraw/zinc/91/07/05/630910705.db2.gz FLMWVJHSCFNEAN-HOTGVXAUSA-N 0 1 291.391 2.801 20 30 CFEDMN C=C(CNC(=O)Cc1n[nH]c2c1CCCC2)c1ccccc1 ZINC000807799765 630911222 /nfs/dbraw/zinc/91/12/22/630911222.db2.gz RBPWOXHHDGGIGL-UHFFFAOYSA-N 0 1 295.386 2.661 20 30 CFEDMN Fc1cc(C=NNc2nc3ccccc3[nH]2)c(F)cn1 ZINC000807945567 630924381 /nfs/dbraw/zinc/92/43/81/630924381.db2.gz FAHDAKOHYQCTLI-UHFFFAOYSA-N 0 1 273.246 2.682 20 30 CFEDMN Nc1ccc(C=[NH+][N-]c2ncc(Cl)cc2Cl)cn1 ZINC000807953792 630925456 /nfs/dbraw/zinc/92/54/56/630925456.db2.gz ZBQBXPLLQMSNBP-UHFFFAOYSA-N 0 1 282.134 2.812 20 30 CFEDMN C#CCn1ccnc1C=NNc1cccc(Cl)c1F ZINC000807966293 630927135 /nfs/dbraw/zinc/92/71/35/630927135.db2.gz WWQIEQKTFNQQLD-UHFFFAOYSA-N 0 1 276.702 2.755 20 30 CFEDMN CCSc1ccccc1C(C)=NNc1ncn[nH]1 ZINC000807996532 630934982 /nfs/dbraw/zinc/93/49/82/630934982.db2.gz XOOWLTATTWPULA-UHFFFAOYSA-N 0 1 261.354 2.753 20 30 CFEDMN Cc1cc(CN=Nc2nnc[n-]2)ccc1Oc1ccc[nH+]c1 ZINC000807997208 630935072 /nfs/dbraw/zinc/93/50/72/630935072.db2.gz UESOHHXNNPSCNH-UHFFFAOYSA-N 0 1 294.318 2.746 20 30 CFEDMN C=CCCCN(C)CN1C(=O)C(C)(C)[C@@H]1c1ccncc1 ZINC000808159207 630960633 /nfs/dbraw/zinc/96/06/33/630960633.db2.gz GHXHOVMYXLWUIW-HNNXBMFYSA-N 0 1 287.407 2.847 20 30 CFEDMN CN(C)[C@@H](CNC(=O)C#CC(C)(C)C)c1ccsc1 ZINC000837332377 631002347 /nfs/dbraw/zinc/00/23/47/631002347.db2.gz IXDNRXOZFCHFLU-ZDUSSCGKSA-N 0 1 278.421 2.517 20 30 CFEDMN C[C@@H](NC(=O)C#CC1CC1)c1nc2ccc(Cl)cc2[nH]1 ZINC000837411283 631023217 /nfs/dbraw/zinc/02/32/17/631023217.db2.gz BYWNNMGOXMCJJA-SECBINFHSA-N 0 1 287.750 2.807 20 30 CFEDMN Cc1ccc2nc(CNC(=O)C#CC(C)(C)C)[nH]c2c1 ZINC000837449594 631033297 /nfs/dbraw/zinc/03/32/97/631033297.db2.gz UKXOZPSNBFXUCO-UHFFFAOYSA-N 0 1 269.348 2.537 20 30 CFEDMN C#C[C@H](N[C@H]1CCc2c1ccc(OC)c2F)[C@H]1CCCO1 ZINC000808715175 631033630 /nfs/dbraw/zinc/03/36/30/631033630.db2.gz SKTZWYWTRQXGNO-SOUVJXGZSA-N 0 1 289.350 2.592 20 30 CFEDMN CC1CC(C#N)(C(=O)O[C@H]2CCN(Cc3ccccc3)C2)C1 ZINC000837580072 631075042 /nfs/dbraw/zinc/07/50/42/631075042.db2.gz CORVGMBXIDNMSX-HQVVEAJESA-N 0 1 298.386 2.744 20 30 CFEDMN C#C[C@H]1COCC[N@@H+]1Cn1ccc(=S)c2ccccc21 ZINC000840168019 631105730 /nfs/dbraw/zinc/10/57/30/631105730.db2.gz IVTUIPPRLIZVQN-ZDUSSCGKSA-N 0 1 284.384 2.662 20 30 CFEDMN C=CCC(C)(C)C(=O)OCc1cc(O)ccc1[N+](=O)[O-] ZINC000837742434 631120874 /nfs/dbraw/zinc/12/08/74/631120874.db2.gz ZEPUCRGRBUBOPP-UHFFFAOYSA-N 0 1 279.292 2.946 20 30 CFEDMN N#CC[C@@H](O)CN1CCC[C@@H]1Cc1ccccc1Cl ZINC000809572913 631238000 /nfs/dbraw/zinc/23/80/00/631238000.db2.gz WHCZZFIGISCBMW-ZIAGYGMSSA-N 0 1 278.783 2.621 20 30 CFEDMN C#Cc1ccc(CN2C[C@H](CC)N(C(C)=O)C[C@@H]2CC)cc1 ZINC000809582743 631241448 /nfs/dbraw/zinc/24/14/48/631241448.db2.gz CHGTYBLTQWHPRI-OALUTQOASA-N 0 1 298.430 2.889 20 30 CFEDMN C#Cc1ccc(CN[C@H](CO)c2ccc(F)cc2)cc1 ZINC000809619926 631247627 /nfs/dbraw/zinc/24/76/27/631247627.db2.gz IVTKADKGGIJZAW-QGZVFWFLSA-N 0 1 269.319 2.630 20 30 CFEDMN COc1cc(CNc2nccn2C2CC2)ccc1C#N ZINC000840887029 631252162 /nfs/dbraw/zinc/25/21/62/631252162.db2.gz SSKOJXBDAPCZLF-UHFFFAOYSA-N 0 1 268.320 2.710 20 30 CFEDMN C#Cc1ccc(CN2C[C@H](C)O[C@@H](C3CC3)C2)cc1 ZINC000809656823 631257968 /nfs/dbraw/zinc/25/79/68/631257968.db2.gz LLZPVNOXALSEET-SUMWQHHRSA-N 0 1 255.361 2.667 20 30 CFEDMN C#C[C@H](C)NCc1ccc(OCC(F)(F)F)c(F)c1 ZINC000809683848 631261548 /nfs/dbraw/zinc/26/15/48/631261548.db2.gz RLIMOZUJHWTEAX-VIFPVBQESA-N 0 1 275.245 2.878 20 30 CFEDMN C#C[C@H](CC)NCc1c(F)cccc1N1CCCC1 ZINC000809686224 631262739 /nfs/dbraw/zinc/26/27/39/631262739.db2.gz BJKKSAHLTIALJA-CYBMUJFWSA-N 0 1 260.356 2.927 20 30 CFEDMN C#C[C@H](CC)NCc1cc(C(=O)OC)ccc1Cl ZINC000809686371 631263094 /nfs/dbraw/zinc/26/30/94/631263094.db2.gz OSCSOEWOOBOSRS-GFCCVEGCSA-N 0 1 265.740 2.628 20 30 CFEDMN C=C(C)CN(Cc1ccc(CO)o1)C[C@@H]1CCC=CO1 ZINC000809702853 631268407 /nfs/dbraw/zinc/26/84/07/631268407.db2.gz ZKCBGCBJYYMCOE-AWEZNQCLSA-N 0 1 277.364 2.843 20 30 CFEDMN Cn1c2ccccc2nc1C(C#N)C(=O)[C@H]1CCCSC1 ZINC000810519193 631380680 /nfs/dbraw/zinc/38/06/80/631380680.db2.gz APXNTUUGVGMYIW-RYUDHWBXSA-N 0 1 299.399 2.893 20 30 CFEDMN CCC(N=Nc1cn[nH]c(=O)c1Cl)[C@H]1C[C@H]1C ZINC000841617120 631432700 /nfs/dbraw/zinc/43/27/00/631432700.db2.gz VMFKSXAGGHPRPV-RQJHMYQMSA-N 0 1 254.721 2.670 20 30 CFEDMN C[C@@H](CC(=O)Nc1ccc(F)cc1)NCC1(C#N)CCC1 ZINC000841897606 631490250 /nfs/dbraw/zinc/49/02/50/631490250.db2.gz FVCIPOFJLVHINV-LBPRGKRZSA-N 0 1 289.354 2.826 20 30 CFEDMN CN(C)c1ccc(C(N)=NOC[C@H]2CCC(F)(F)C2)cc1 ZINC000842022379 631502959 /nfs/dbraw/zinc/50/29/59/631502959.db2.gz GETSPWZXFOMFLN-NSHDSACASA-N 0 1 297.349 2.825 20 30 CFEDMN C#CCN(Cc1[nH]ncc1C)[C@H]1CCc2ccccc21 ZINC000811452626 631564077 /nfs/dbraw/zinc/56/40/77/631564077.db2.gz BYQQBOMWIGFTEA-KRWDZBQOSA-N 0 1 265.360 2.841 20 30 CFEDMN C#C[C@H](NCc1[nH]ncc1C)c1ccc(Cl)cc1F ZINC000811505954 631573609 /nfs/dbraw/zinc/57/36/09/631573609.db2.gz KNPPRXZPOAKDNI-ZDUSSCGKSA-N 0 1 277.730 2.975 20 30 CFEDMN CC[C@H](CC1CCCCC1)C(=O)C(C#N)C(=O)NC1CC1 ZINC000842288185 631580086 /nfs/dbraw/zinc/58/00/86/631580086.db2.gz CHIPLDHBTNUXPJ-HIFRSBDPSA-N 0 1 290.407 2.970 20 30 CFEDMN C[C@H]1C(N=Nc2ncccn2)CCN1Cc1ccccc1 ZINC000811638486 631589945 /nfs/dbraw/zinc/58/99/45/631589945.db2.gz PMNPTTMZISNZCX-ZDUSSCGKSA-N 0 1 281.363 2.539 20 30 CFEDMN Cn1cc[nH+]c1[N-]N=Cc1cscc1C(F)(F)F ZINC000811649378 631592627 /nfs/dbraw/zinc/59/26/27/631592627.db2.gz KREFGFRIOJKSRM-UHFFFAOYSA-N 0 1 274.271 2.946 20 30 CFEDMN CC[C@@H](O)CNN=Cc1c(Cl)cccc1N1CCCC1 ZINC000811656592 631596296 /nfs/dbraw/zinc/59/62/96/631596296.db2.gz QLCOBLXLBYUQCK-GFCCVEGCSA-N 0 1 295.814 2.635 20 30 CFEDMN C#C[C@H](OC(=O)c1[nH]nc2c1CCCC2)c1ccccc1 ZINC000842367610 631608507 /nfs/dbraw/zinc/60/85/07/631608507.db2.gz YYGZMWBWIXFSPR-HNNXBMFYSA-N 0 1 280.327 2.820 20 30 CFEDMN CC(C)CC(N=Nc1ccnc(N(C)C)n1)c1ccncc1 ZINC000842526636 631652881 /nfs/dbraw/zinc/65/28/81/631652881.db2.gz CYMUYVCNNOXKQM-UHFFFAOYSA-N 0 1 298.394 2.800 20 30 CFEDMN CC(=NNC12CC(C1)C2)c1ccc(N2CCCC2)cc1O ZINC000842545322 631661203 /nfs/dbraw/zinc/66/12/03/631661203.db2.gz BRPXDXNTZKCIJY-UHFFFAOYSA-N 0 1 285.391 2.859 20 30 CFEDMN C1C2CC1(NN=C1CCCC[C@@H]1N1CCCCC1)C2 ZINC000842546710 631661740 /nfs/dbraw/zinc/66/17/40/631661740.db2.gz WCXXVFWQWPDDMF-SIWZUTFBSA-N 0 1 261.413 2.913 20 30 CFEDMN C[C@H]1CN=C(NN=Cc2ccc(C3CCCC3)cc2)N1 ZINC000812228004 631670581 /nfs/dbraw/zinc/67/05/81/631670581.db2.gz XZMWKEHNNCUQIO-LBPRGKRZSA-N 0 1 270.380 2.615 20 30 CFEDMN C#CCON=C(C)c1[nH]c(-c2ccccc2)nc1C ZINC000812233812 631672549 /nfs/dbraw/zinc/67/25/49/631672549.db2.gz FFGHLCPTMJCXJX-UHFFFAOYSA-N 0 1 253.305 2.759 20 30 CFEDMN C#CCOc1ccc(-c2nc([C@@H](N)CC(C)C)no2)cc1 ZINC000842585613 631672965 /nfs/dbraw/zinc/67/29/65/631672965.db2.gz FAFWQVHAQBSRHJ-AWEZNQCLSA-N 0 1 285.347 2.795 20 30 CFEDMN CON=Cc1ccc(-c2nc([C@@H](N)CC(C)C)no2)cc1 ZINC000842587729 631674614 /nfs/dbraw/zinc/67/46/14/631674614.db2.gz GSWXAZBXNQIMAG-ZDUSSCGKSA-N 0 1 288.351 2.763 20 30 CFEDMN CC(C)OCCON=Cc1cccc(Cl)c1O ZINC000812239009 631676883 /nfs/dbraw/zinc/67/68/83/631676883.db2.gz KXICYGVOUJQMGJ-UHFFFAOYSA-N 0 1 257.717 2.821 20 30 CFEDMN C#CC[C@H]1CCCN(CN2C(=O)C[C@@H]2c2ccccc2)C1 ZINC000842628764 631685554 /nfs/dbraw/zinc/68/55/54/631685554.db2.gz FRFVLYHMANTQCZ-DOTOQJQBSA-N 0 1 282.387 2.653 20 30 CFEDMN C#CC[C@H]1CCCN(CN2C[C@@H](CC(C)(C)C)CC2=O)C1 ZINC000842628814 631685630 /nfs/dbraw/zinc/68/56/30/631685630.db2.gz GWFPOQONLGYMBS-JKSUJKDBSA-N 0 1 290.451 2.964 20 30 CFEDMN CCC[C@H](C)CC(=O)C(C#N)C(=O)Nc1ccccn1 ZINC000155497769 650022650 /nfs/dbraw/zinc/02/26/50/650022650.db2.gz CFOSANPCWJGXBC-NWDGAFQWSA-N 0 1 273.336 2.555 20 30 CFEDMN C#CCOc1cccc(Cl)c1CN[C@@H]1CO[C@@H](C)C1 ZINC000842773536 631736075 /nfs/dbraw/zinc/73/60/75/631736075.db2.gz ABTWRVJTSGRCMQ-RYUDHWBXSA-N 0 1 279.767 2.619 20 30 CFEDMN Cc1cc([C@H](C)NCc2ccc(CC#N)cc2)n(C)n1 ZINC000842886631 631773672 /nfs/dbraw/zinc/77/36/72/631773672.db2.gz FYYTTWNYMZFIRZ-ZDUSSCGKSA-N 0 1 268.364 2.645 20 30 CFEDMN N#CC(C(=O)C=C[C@@H]1CCOC1)c1nc(C2CC2)cs1 ZINC000842942600 631788503 /nfs/dbraw/zinc/78/85/03/631788503.db2.gz LKECGLYWILUQNA-IKRQDPHKSA-N 0 1 288.372 2.789 20 30 CFEDMN N#C[C@H](C(=O)C=C[C@@H]1CCOC1)c1nc(C2CC2)cs1 ZINC000842942600 631788506 /nfs/dbraw/zinc/78/85/06/631788506.db2.gz LKECGLYWILUQNA-IKRQDPHKSA-N 0 1 288.372 2.789 20 30 CFEDMN CCN1CCN(c2cc(C(F)(F)F)cnc2C#N)C[C@@H]1C ZINC000840276051 631815880 /nfs/dbraw/zinc/81/58/80/631815880.db2.gz DUYWDVUSTJEWLR-JTQLQIEISA-N 0 1 298.312 2.502 20 30 CFEDMN N#CCC[C@H](C#N)CNCC1([C@H](O)c2ccccc2)CC1 ZINC000843101784 631835803 /nfs/dbraw/zinc/83/58/03/631835803.db2.gz OFHAHRNXSPMVQM-GDBMZVCRSA-N 0 1 283.375 2.533 20 30 CFEDMN N#C[C@@H](C(=O)C[C@H]1CCCO1)c1cc(C(F)(F)F)ccn1 ZINC000813212392 631881472 /nfs/dbraw/zinc/88/14/72/631881472.db2.gz BATHIEJPTUSOIV-GHMZBOCLSA-N 0 1 298.264 2.846 20 30 CFEDMN N#CC(C(=O)CSCC(F)(F)F)c1ccccn1 ZINC000156026885 650040872 /nfs/dbraw/zinc/04/08/72/650040872.db2.gz JBIJXSRAUOUXJH-MRVPVSSYSA-N 0 1 274.267 2.553 20 30 CFEDMN C[C@H]1C[C@H](NCC2(C#N)CC2)CN(C(=O)OC(C)(C)C)C1 ZINC000843405791 631946328 /nfs/dbraw/zinc/94/63/28/631946328.db2.gz AVEFECTWDKNQJH-STQMWFEESA-N 0 1 293.411 2.525 20 30 CFEDMN C#CC[C@H]1CCCN(Cc2cnnn2Cc2ccccc2)C1 ZINC000843422134 631950565 /nfs/dbraw/zinc/95/05/65/631950565.db2.gz CQBWILOHWYHLKO-INIZCTEOSA-N 0 1 294.402 2.562 20 30 CFEDMN C#CC[C@@H]1CCCN(Cc2cn(-c3ccccc3C)nn2)C1 ZINC000843421987 631951450 /nfs/dbraw/zinc/95/14/50/631951450.db2.gz AWPZJROVZCEBTH-MRXNPFEDSA-N 0 1 294.402 2.811 20 30 CFEDMN Cc1nn(-c2ccccc2)c(N)c1C=NOCC1CC1 ZINC000814243312 632043787 /nfs/dbraw/zinc/04/37/87/632043787.db2.gz PUHSUTYHWPNCFR-UHFFFAOYSA-N 0 1 270.336 2.523 20 30 CFEDMN C#C[C@@H](NC(=O)c1[nH]nc2c1CCCCC2)c1ccccc1 ZINC000843964365 632084425 /nfs/dbraw/zinc/08/44/25/632084425.db2.gz AFFZYEQVMIAYBD-OAHLLOKOSA-N 0 1 293.370 2.783 20 30 CFEDMN C#CC[C@H]1CCCN(C(=O)c2cnc(-c3ccccc3)[nH]2)C1 ZINC000843998830 632091564 /nfs/dbraw/zinc/09/15/64/632091564.db2.gz CVJQLUUHPWNKAV-AWEZNQCLSA-N 0 1 293.370 2.952 20 30 CFEDMN Cc1nccc(C=NNc2ccc(C(F)(F)F)cn2)n1 ZINC000814710963 632111377 /nfs/dbraw/zinc/11/13/77/632111377.db2.gz BDVMSKDQRWQVQO-UHFFFAOYSA-N 0 1 281.241 2.645 20 30 CFEDMN Cc1c[nH]nc1C=NN=c1nc[nH]c2sc(C)c(C)c21 ZINC000814725982 632114463 /nfs/dbraw/zinc/11/44/63/632114463.db2.gz HSXZURGQAPMMEF-UHFFFAOYSA-N 0 1 286.364 2.786 20 30 CFEDMN COCC(=NNc1cc(C)ncn1)c1cccc(Cl)c1 ZINC000814846360 632136989 /nfs/dbraw/zinc/13/69/89/632136989.db2.gz OMKXEFNNTDKDQQ-UHFFFAOYSA-N 0 1 290.754 2.901 20 30 CFEDMN Cc1cc(NN=C2COc3c2cc(Cl)cc3C)ncn1 ZINC000814846301 632137141 /nfs/dbraw/zinc/13/71/41/632137141.db2.gz MLYHJLAAILIPNN-UHFFFAOYSA-N 0 1 288.738 2.955 20 30 CFEDMN Fc1ccc(NN=Cc2ncc(Cl)s2)nc1 ZINC000814842709 632137187 /nfs/dbraw/zinc/13/71/87/632137187.db2.gz PMSYAEAXBGOSCP-UHFFFAOYSA-N 0 1 256.693 2.777 20 30 CFEDMN Cc1cc(=NN=Cc2ccc(Br)o2)nc[nH]1 ZINC000814846139 632137221 /nfs/dbraw/zinc/13/72/21/632137221.db2.gz HOYLDDAAXGAOJN-UHFFFAOYSA-N 0 1 281.113 2.587 20 30 CFEDMN Cc1cc(=NN=Cc2ncc(C(C)C)s2)nc[nH]1 ZINC000814846068 632137252 /nfs/dbraw/zinc/13/72/52/632137252.db2.gz FQBYKVLWGDGGRJ-UHFFFAOYSA-N 0 1 261.354 2.811 20 30 CFEDMN CC(=NNc1cc(F)c(F)cc1F)c1c[nH]nc1C ZINC000814851196 632138580 /nfs/dbraw/zinc/13/85/80/632138580.db2.gz IPLVKMZAKHHMFV-UHFFFAOYSA-N 0 1 268.242 2.972 20 30 CFEDMN OC[C@@H](CCF)/N=C/c1cc(Cl)cc(Cl)c1O ZINC000844271077 632150854 /nfs/dbraw/zinc/15/08/54/632150854.db2.gz LUZXIJKVHZIZCA-DXLPTXHLSA-N 0 1 280.126 2.838 20 30 CFEDMN COc1cc(C(C)N=Nc2cc(Cl)ccn2)on1 ZINC000814897679 632153975 /nfs/dbraw/zinc/15/39/75/632153975.db2.gz BRNHRNAEVAMFLG-UHFFFAOYSA-N 0 1 266.688 2.568 20 30 CFEDMN COc1cccc(N=NC2COc3c2cccc3Cl)n1 ZINC000814900304 632154920 /nfs/dbraw/zinc/15/49/20/632154920.db2.gz MILTUOMEACELBH-UHFFFAOYSA-N 0 1 289.722 2.952 20 30 CFEDMN COc1cccc(NN=Cc2ccc3oncc3c2)n1 ZINC000814900383 632154981 /nfs/dbraw/zinc/15/49/81/632154981.db2.gz QIQFJMDPBJBNOH-UHFFFAOYSA-N 0 1 268.276 2.677 20 30 CFEDMN COc1ccc2[nH]c(=NN=Cc3cncnc3)c(C)cc2c1 ZINC000814899372 632155011 /nfs/dbraw/zinc/15/50/11/632155011.db2.gz SLMPSVHCCWZPDJ-UHFFFAOYSA-N 0 1 293.330 2.788 20 30 CFEDMN CCC(=NNCCc1ccccn1)c1cccc(N)c1 ZINC000814925140 632166810 /nfs/dbraw/zinc/16/68/10/632166810.db2.gz STIHTJXRNUXQNH-UHFFFAOYSA-N 0 1 268.364 2.610 20 30 CFEDMN CC(N=Nc1cncnc1)c1ccc(Cl)c(N)c1 ZINC000814926993 632168790 /nfs/dbraw/zinc/16/87/90/632168790.db2.gz SAVDEGHTFIBPOH-UHFFFAOYSA-N 0 1 261.716 2.548 20 30 CFEDMN Fc1ccc(N=NCc2cnc3cnccn23)c(F)c1F ZINC000814944175 632177117 /nfs/dbraw/zinc/17/71/17/632177117.db2.gz ULFPLOIGAFEQBG-UHFFFAOYSA-N 0 1 291.236 2.593 20 30 CFEDMN CN(C[C@@H](O)c1cccc(C#N)c1)C[C@H]1CC1(Cl)Cl ZINC000844366476 632182316 /nfs/dbraw/zinc/18/23/16/632182316.db2.gz PKOHRHWMJAKPPG-CHWSQXEVSA-N 0 1 299.201 2.717 20 30 CFEDMN C=C(C)CN(CC)C(=O)CN1CCC[C@]2(CC2(F)F)C1 ZINC000844432978 632208472 /nfs/dbraw/zinc/20/84/72/632208472.db2.gz BXTJMVUYQJRPGM-AWEZNQCLSA-N 0 1 286.366 2.532 20 30 CFEDMN CC(C)CC(=NNc1cnnn1C)c1ccc(F)cc1 ZINC000844599848 632260156 /nfs/dbraw/zinc/26/01/56/632260156.db2.gz ODLNKUJEAGERNU-UHFFFAOYSA-N 0 1 275.331 2.817 20 30 CFEDMN C=C[C@@H](C)ON=Cc1ccccc1N1CCO[C@@H](C)C1 ZINC000844625557 632268696 /nfs/dbraw/zinc/26/86/96/632268696.db2.gz RZPSFAFRPPYLGD-KGLIPLIRSA-N 0 1 274.364 2.837 20 30 CFEDMN CCCCCNC(=O)[C@@H](C#N)C(=O)CC(C)(C)C1CC1 ZINC000815904772 632331251 /nfs/dbraw/zinc/33/12/51/632331251.db2.gz PITWSCUCUROEPQ-ZDUSSCGKSA-N 0 1 278.396 2.828 20 30 CFEDMN C=CCC(F)(F)C(=O)Nc1cc(C(C)=O)ccc1O ZINC000815971171 632343469 /nfs/dbraw/zinc/34/34/69/632343469.db2.gz WCSDJTXKZSMYRK-UHFFFAOYSA-N 0 1 269.247 2.745 20 30 CFEDMN CCCCCNC(=O)C(C#N)C(=O)CC1(CSC)CC1 ZINC000845444370 632436291 /nfs/dbraw/zinc/43/62/91/632436291.db2.gz RZCLRWCOFSVOCK-GFCCVEGCSA-N 0 1 296.436 2.535 20 30 CFEDMN CS[C@@H](C)C(O)=C(C#N)C(=O)C1(c2ccccc2)CC1 ZINC000845839511 632577745 /nfs/dbraw/zinc/57/77/45/632577745.db2.gz UYGJHBQJXVSDOP-WCQYABFASA-N 0 1 287.384 2.748 20 30 CFEDMN N#CC(C(=O)CC1CC1)=C(O)C1(c2ccccc2)CC1 ZINC000845843003 632578740 /nfs/dbraw/zinc/57/87/40/632578740.db2.gz WXAHNCZNUOPPNM-AWEZNQCLSA-N 0 1 267.328 2.796 20 30 CFEDMN CC(C)N(CC(=O)NCCC#N)[C@H](C)c1ccsc1 ZINC000817287972 632595712 /nfs/dbraw/zinc/59/57/12/632595712.db2.gz RVZFLFUKAFOWGT-GFCCVEGCSA-N 0 1 279.409 2.549 20 30 CFEDMN CC(C)(C)OC(=O)N1CC[C@H](NCC2(C#N)CCCC2)C1 ZINC000846009945 632613615 /nfs/dbraw/zinc/61/36/15/632613615.db2.gz FYVUNHQFPBVGSR-ZDUSSCGKSA-N 0 1 293.411 2.669 20 30 CFEDMN C=C(C)CONC(=O)C(C)(C)c1ccc(OC)cc1 ZINC000846536413 632725548 /nfs/dbraw/zinc/72/55/48/632725548.db2.gz KLEALQGXMYAFFS-UHFFFAOYSA-N 0 1 263.337 2.597 20 30 CFEDMN C=C(C)CONC(=O)[C@@H]1CCCc2sccc21 ZINC000846536597 632725770 /nfs/dbraw/zinc/72/57/70/632725770.db2.gz RTYPWAGJFGWNSH-LLVKDONJSA-N 0 1 251.351 2.792 20 30 CFEDMN C=C[C@@H](C)ONC(=O)[C@H]1COc2ccc(Cl)cc2C1 ZINC000846543233 632732204 /nfs/dbraw/zinc/73/22/04/632732204.db2.gz MRMRKLGHVYZKMG-MWLCHTKSSA-N 0 1 281.739 2.513 20 30 CFEDMN C=C[C@@H](C)ONC(=O)C(C)(C)c1ccc(OC)cc1 ZINC000846550092 632738695 /nfs/dbraw/zinc/73/86/95/632738695.db2.gz UWKKCDFMVXSAHD-LLVKDONJSA-N 0 1 263.337 2.595 20 30 CFEDMN C#C[C@@H]1CCCN([C@@H](C)C(=O)Nc2ccc(C)cc2C)C1 ZINC000847022392 632887638 /nfs/dbraw/zinc/88/76/38/632887638.db2.gz HFQHXEAIDVBLMZ-JKSUJKDBSA-N 0 1 284.403 2.976 20 30 CFEDMN C#C[C@@H]1CCCN([C@@H](C)C(=O)N2c3ccccc3C[C@H]2C)C1 ZINC000847032263 632896874 /nfs/dbraw/zinc/89/68/74/632896874.db2.gz WKQPCTWYHSBZOD-OWCLPIDISA-N 0 1 296.414 2.698 20 30 CFEDMN C[C@H](C#N)CNC[C@H](O)c1cccc2ccccc21 ZINC000819048484 632943241 /nfs/dbraw/zinc/94/32/41/632943241.db2.gz ZQAAGVPIGYKHFL-WBMJQRKESA-N 0 1 254.333 2.622 20 30 CFEDMN CC(C)(C#N)CNC[C@H](O)c1cccc(C(F)(F)F)c1 ZINC000819218461 633024556 /nfs/dbraw/zinc/02/45/56/633024556.db2.gz HMIDSUOGBYUIRJ-LBPRGKRZSA-N 0 1 286.297 2.878 20 30 CFEDMN C#CCCC[C@H](C)OC(=O)c1ccc2cncn2c1 ZINC000847866108 633116690 /nfs/dbraw/zinc/11/66/90/633116690.db2.gz KMDFMWFJPGJTOJ-LBPRGKRZSA-N 0 1 256.305 2.683 20 30 CFEDMN C#CCCC[C@H](C)OC(=O)c1ccc(-c2nnc[nH]2)cc1 ZINC000847866741 633117326 /nfs/dbraw/zinc/11/73/26/633117326.db2.gz QMMCETFYNNAPIS-LBPRGKRZSA-N 0 1 283.331 2.821 20 30 CFEDMN C#CCCC[C@@H](C)OC(=O)c1ccc(-c2nnc[nH]2)cc1 ZINC000847866740 633117505 /nfs/dbraw/zinc/11/75/05/633117505.db2.gz QMMCETFYNNAPIS-GFCCVEGCSA-N 0 1 283.331 2.821 20 30 CFEDMN CCCCCCCCC(=O)N(C)Cc1nnc[nH]1 ZINC000113011721 651184756 /nfs/dbraw/zinc/18/47/56/651184756.db2.gz NUVKGTSJIOGZCI-UHFFFAOYSA-N 0 1 252.362 2.514 20 30 CFEDMN C=CCC(F)(F)C(=O)OCc1cc(C2CC2)[nH]n1 ZINC000848010623 633182967 /nfs/dbraw/zinc/18/29/67/633182967.db2.gz OVCHJJNFGQLJSP-UHFFFAOYSA-N 0 1 256.252 2.542 20 30 CFEDMN N#CCCCCCC(=O)OCc1cc(C2CC2)[nH]n1 ZINC000848010364 633183225 /nfs/dbraw/zinc/18/32/25/633183225.db2.gz FTMRFTRNVDGSBA-UHFFFAOYSA-N 0 1 261.325 2.804 20 30 CFEDMN C=CCCCCCCNC(=O)[C@@H](C)Cc1cnc[nH]1 ZINC000848071252 633199134 /nfs/dbraw/zinc/19/91/34/633199134.db2.gz NDAROBBDICHVCA-ZDUSSCGKSA-N 0 1 263.385 2.841 20 30 CFEDMN Cn1ccnc1N=NCc1ccc(C(C)(C)C#N)cc1 ZINC000848409925 633251677 /nfs/dbraw/zinc/25/16/77/633251677.db2.gz FUARZXCPUBKDRS-UHFFFAOYSA-N 0 1 267.336 2.667 20 30 CFEDMN O=C([O-])Cc1ccc(N[NH2+]C=CC(F)(F)F)cc1 ZINC000848414362 633253213 /nfs/dbraw/zinc/25/32/13/633253213.db2.gz NBAALVYZIZTNEH-UHFFFAOYSA-N 0 1 260.215 2.664 20 30 CFEDMN C[C@H](NCc1cnc(Cl)n1C)c1cccc(C#N)c1 ZINC000848541641 633283703 /nfs/dbraw/zinc/28/37/03/633283703.db2.gz RZXOOGXPSRWQSU-JTQLQIEISA-N 0 1 274.755 2.796 20 30 CFEDMN C#C[C@@H](CC)NCc1cn(-c2ccc(C)cc2)nc1C ZINC000848910344 633394770 /nfs/dbraw/zinc/39/47/70/633394770.db2.gz JNXOVOYRLUEDNT-INIZCTEOSA-N 0 1 267.376 2.991 20 30 CFEDMN O=C(/C=C/c1cn(C2CCC2)nn1)c1cc(F)ccc1O ZINC000849245750 633589149 /nfs/dbraw/zinc/58/91/49/633589149.db2.gz CAZIOMJQDKCAFA-FNORWQNLSA-N 0 1 287.294 2.744 20 30 CFEDMN C#CC[C@@H]1CCC[N@H+](Cc2ccc(F)cc2C(=O)[O-])C1 ZINC000849344038 633621870 /nfs/dbraw/zinc/62/18/70/633621870.db2.gz AHRWWAHRWOUBGO-GFCCVEGCSA-N 0 1 275.323 2.759 20 30 CFEDMN C#CC[C@H]1CCC[N@H+](Cc2cc(C(=O)[O-])sc2C)C1 ZINC000849345185 633622638 /nfs/dbraw/zinc/62/26/38/633622638.db2.gz VLVWGCMXIUMOFJ-LBPRGKRZSA-N 0 1 277.389 2.990 20 30 CFEDMN C#CC[C@@H]1CCC[N@H+]([C@@H](C)c2ccc(C(=O)[O-])o2)C1 ZINC000849344655 633622721 /nfs/dbraw/zinc/62/27/21/633622721.db2.gz QPMTYXFNSKFXHV-NWDGAFQWSA-N 0 1 261.321 2.774 20 30 CFEDMN C=C(C)C[C@@H](C)C(=O)O[C@@H](C)c1n[nH]c(CC)n1 ZINC000849756592 633704863 /nfs/dbraw/zinc/70/48/63/633704863.db2.gz BWPKOACJFSGUSJ-ZJUUUORDSA-N 0 1 251.330 2.574 20 30 CFEDMN C=C(Cl)CNCc1ccc(O[C@@H]2CCOC2)cc1 ZINC000850142956 633854712 /nfs/dbraw/zinc/85/47/12/633854712.db2.gz BOWWYTOHWCOASC-CQSZACIVSA-N 0 1 267.756 2.696 20 30 CFEDMN C#CCOc1cccc(Cl)c1CN[C@@H](CC)COC ZINC000850150680 633856351 /nfs/dbraw/zinc/85/63/51/633856351.db2.gz MNOWPYNETAYQAG-LBPRGKRZSA-N 0 1 281.783 2.867 20 30 CFEDMN C#Cc1ccc(CNCc2cccnc2N2CCCC2)cc1 ZINC000850352725 633951787 /nfs/dbraw/zinc/95/17/87/633951787.db2.gz GOOKOYMVXWSHBK-UHFFFAOYSA-N 0 1 291.398 2.953 20 30 CFEDMN N#Cc1ccc(CN[C@H]2C[C@H](O)c3ccccc32)s1 ZINC000850371616 633960979 /nfs/dbraw/zinc/96/09/79/633960979.db2.gz LFUBHVREKRJWLA-GJZGRUSLSA-N 0 1 270.357 2.888 20 30 CFEDMN C#CCOc1ccc(CN[C@H]2C[C@@H](O)c3ccccc32)cc1 ZINC000850371835 633962613 /nfs/dbraw/zinc/96/26/13/633962613.db2.gz MMYOIXSRQQHXOA-RBUKOAKNSA-N 0 1 293.366 2.967 20 30 CFEDMN C#C[C@H](N[C@@H](C)c1ccc(C(F)F)nc1)[C@@H]1CCCO1 ZINC000850461206 634002650 /nfs/dbraw/zinc/00/26/50/634002650.db2.gz GTVKSVKRFFFCSC-JKOKRWQUSA-N 0 1 280.318 2.851 20 30 CFEDMN CCCCCNC(=O)C(C#N)C(=O)[C@H]1CCCC2(CC2)C1 ZINC000850752812 634079534 /nfs/dbraw/zinc/07/95/34/634079534.db2.gz TWWLWNPMBOBQJQ-UONOGXRCSA-N 0 1 290.407 2.972 20 30 CFEDMN N#CC(C(=O)Nc1ccccn1)C(=O)C1CCC2(CC2)CC1 ZINC000850782606 634092116 /nfs/dbraw/zinc/09/21/16/634092116.db2.gz OLRIDKAMFHQOJH-ZDUSSCGKSA-N 0 1 297.358 2.699 20 30 CFEDMN N#C[C@@H](C(=O)[C@H]1[C@@H]2CCCCCC[C@@H]21)c1ccncn1 ZINC000850947108 634148961 /nfs/dbraw/zinc/14/89/61/634148961.db2.gz CTYRZOLLGWWJFI-COMQUAJESA-N 0 1 269.348 2.869 20 30 CFEDMN CC[C@@H](C(=O)O[C@H](C)CC(C)(C)C#N)N(CC)CC ZINC000851207165 634271172 /nfs/dbraw/zinc/27/11/72/634271172.db2.gz UEIOASITPTXIFO-OLZOCXBDSA-N 0 1 268.401 2.978 20 30 CFEDMN Cn1ncc(C2CC2)c1C=NNc1nc2ccccc2n1C ZINC000853290692 634959737 /nfs/dbraw/zinc/95/97/37/634959737.db2.gz GSMXSNSCQASELZ-UHFFFAOYSA-N 0 1 294.362 2.630 20 30 CFEDMN C[C@H]1CCCCN1N=Cc1ccc(N2CCOCC2)s1 ZINC000853380522 634987942 /nfs/dbraw/zinc/98/79/42/634987942.db2.gz WVPYIXHSJBHSSK-ZDUSSCGKSA-N 0 1 293.436 2.793 20 30 CFEDMN Fc1cnccc1NN=Cc1ccccc1OCC1CC1 ZINC000853402386 634995192 /nfs/dbraw/zinc/99/51/92/634995192.db2.gz YBHIDHBPTODMHE-UHFFFAOYSA-N 0 1 285.322 2.877 20 30 CFEDMN Cc1cc(C)c2c(c1)OCCC2=NNc1ccncc1F ZINC000853402323 634995228 /nfs/dbraw/zinc/99/52/28/634995228.db2.gz WKVCCPVLSZTLDL-UHFFFAOYSA-N 0 1 285.322 2.858 20 30 CFEDMN C=CC[C@H]1CCCN(CN2C[C@H](C(C)C)CC2=O)C1 ZINC000853536609 635031609 /nfs/dbraw/zinc/03/16/09/635031609.db2.gz FRLFJOXYRRWPBW-LSDHHAIUSA-N 0 1 264.413 2.737 20 30 CFEDMN C=CCc1cc(OC)cc(CN2C[C@@H](C)O[C@@H](C)C2)c1O ZINC000111677881 635137002 /nfs/dbraw/zinc/13/70/02/635137002.db2.gz FKYMFDVDOPNCRN-BETUJISGSA-N 0 1 291.391 2.739 20 30 CFEDMN C=CCN1CC[C@H](NC(=O)C2(C)CCC(F)(F)CC2)C1 ZINC001014991411 651194767 /nfs/dbraw/zinc/19/47/67/651194767.db2.gz RIXDBKLGAJICBI-LBPRGKRZSA-N 0 1 286.366 2.579 20 30 CFEDMN C#CCCCCCC(=O)Nc1n[nH]c2cc(O)ccc21 ZINC000854581426 635341022 /nfs/dbraw/zinc/34/10/22/635341022.db2.gz JVSAELGVMVTJBO-UHFFFAOYSA-N 0 1 271.320 2.791 20 30 CFEDMN C#Cc1ccc(NC(=O)CCN2CC[C@H](C)[C@@H](F)C2)cc1 ZINC000930244699 635481565 /nfs/dbraw/zinc/48/15/65/635481565.db2.gz OTWUFOFEFSTGTI-BBRMVZONSA-N 0 1 288.366 2.676 20 30 CFEDMN CCCCCCCCC(=O)N(C)CC1CN(C)C1 ZINC000855640018 635605063 /nfs/dbraw/zinc/60/50/63/635605063.db2.gz RANUBDVFDLTPRH-UHFFFAOYSA-N 0 1 254.418 2.757 20 30 CFEDMN C=CCCONC(=O)C(C)(C)COCc1ccccc1 ZINC000856034159 635709362 /nfs/dbraw/zinc/70/93/62/635709362.db2.gz AWDVWQCEFPVJMN-UHFFFAOYSA-N 0 1 277.364 2.853 20 30 CFEDMN C=CCCO[N-]C(=O)C[N@@H+](CC)Cc1ccccc1Cl ZINC000856035132 635709900 /nfs/dbraw/zinc/70/99/00/635709900.db2.gz VPHSMPYWOYQJGZ-UHFFFAOYSA-N 0 1 296.798 2.786 20 30 CFEDMN C=CCCO[N-]C(=O)C[N@H+](CC)Cc1ccccc1Cl ZINC000856035132 635709909 /nfs/dbraw/zinc/70/99/09/635709909.db2.gz VPHSMPYWOYQJGZ-UHFFFAOYSA-N 0 1 296.798 2.786 20 30 CFEDMN C#CCN1CCC(C(=O)N2[C@H](CC)CCC[C@@H]2C)CC1 ZINC000856272713 635771151 /nfs/dbraw/zinc/77/11/51/635771151.db2.gz NKRNVTPOOLSKAG-GOEBONIOSA-N 0 1 276.424 2.511 20 30 CFEDMN C[C@@H]1CN(C(C)(C)C/N=C/c2ccccc2O)C[C@H](C)O1 ZINC000011115187 635834705 /nfs/dbraw/zinc/83/47/05/635834705.db2.gz ZOPVPYKMCRYXOE-BGETUVHESA-N 0 1 290.407 2.699 20 30 CFEDMN CCCC[C@H](C(=O)[C@@H](C#N)C(=O)NC(C)C)C(C)C ZINC000857010059 635904563 /nfs/dbraw/zinc/90/45/63/635904563.db2.gz CJUIVUVUQKWKKY-QWHCGFSZSA-N 0 1 266.385 2.682 20 30 CFEDMN CCCCCCCCN(C)[C@@H](C)CS(C)(=O)=O ZINC000158113590 650222287 /nfs/dbraw/zinc/22/22/87/650222287.db2.gz JIMVDRGKMWMYCO-ZDUSSCGKSA-N 0 1 263.447 2.712 20 30 CFEDMN CCOc1cncc(C=NNc2nccnc2C(C)C)c1 ZINC000857210358 635947988 /nfs/dbraw/zinc/94/79/88/635947988.db2.gz ZKGFIIYDFKFYRQ-UHFFFAOYSA-N 0 1 285.351 2.840 20 30 CFEDMN CCCCCCCCC(=O)N1C[C@H](C)N[C@@H](C)C1 ZINC000115064378 635964070 /nfs/dbraw/zinc/96/40/70/635964070.db2.gz SFMZBTCKEKOOFD-KBPBESRZSA-N 0 1 254.418 2.946 20 30 CFEDMN N#Cc1ccc2c(c1)CC[C@H]2N[C@H]1CCCc2c[nH]nc21 ZINC000857866735 636039770 /nfs/dbraw/zinc/03/97/70/636039770.db2.gz XSVVEHBHZXKJDL-CVEARBPZSA-N 0 1 278.359 2.936 20 30 CFEDMN CCCCCCCC[N@H+]1CCc2cnc(N)nc2C1 ZINC000857924530 636074832 /nfs/dbraw/zinc/07/48/32/636074832.db2.gz VIOWMWBKMKIEQF-UHFFFAOYSA-N 0 1 262.401 2.777 20 30 CFEDMN CCCCCCCCN1CCc2cnc(N)nc2C1 ZINC000857924530 636074845 /nfs/dbraw/zinc/07/48/45/636074845.db2.gz VIOWMWBKMKIEQF-UHFFFAOYSA-N 0 1 262.401 2.777 20 30 CFEDMN CCCCCCCNC(=O)NCc1cc(CC)[nH]n1 ZINC000858111508 636129576 /nfs/dbraw/zinc/12/95/76/636129576.db2.gz IYALWGDARFHZGA-UHFFFAOYSA-N 0 1 266.389 2.742 20 30 CFEDMN C#CC[C@@H](COC)NCc1ccnc(Cl)c1Cl ZINC000858334029 636194086 /nfs/dbraw/zinc/19/40/86/636194086.db2.gz GKCPNNRHNXUNPO-JTQLQIEISA-N 0 1 273.163 2.516 20 30 CFEDMN C#CC[C@@H](COC)NCc1cnc(C2CCC2)s1 ZINC000858335461 636196015 /nfs/dbraw/zinc/19/60/15/636196015.db2.gz VNNPSYYQXKTGQR-LBPRGKRZSA-N 0 1 264.394 2.539 20 30 CFEDMN C#CCCOC(=O)NC[C@H](c1ccco1)N1CCCCC1 ZINC000858879228 636367683 /nfs/dbraw/zinc/36/76/83/636367683.db2.gz NQASBZZHZXDZKA-CQSZACIVSA-N 0 1 290.363 2.556 20 30 CFEDMN C=CC[C@H]1CC[N@@H+](Cc2cc(=O)oc3cc([O-])ccc23)C1 ZINC000859445743 636565982 /nfs/dbraw/zinc/56/59/82/636565982.db2.gz UDHPSYVVGLGOAP-LBPRGKRZSA-N 0 1 285.343 2.897 20 30 CFEDMN C=CC[C@H]1CC[N@H+](Cc2cc(=O)oc3cc([O-])ccc23)C1 ZINC000859445743 636565987 /nfs/dbraw/zinc/56/59/87/636565987.db2.gz UDHPSYVVGLGOAP-LBPRGKRZSA-N 0 1 285.343 2.897 20 30 CFEDMN Cc1ccc(COC(=O)CN2[C@H](C)CC[C@H]2C)cc1C#N ZINC000859664051 636643250 /nfs/dbraw/zinc/64/32/50/636643250.db2.gz WXYRISCPLPWYNU-ZIAGYGMSSA-N 0 1 286.375 2.783 20 30 CFEDMN C=C(Cl)CN[C@@H](c1ccc(OC)nc1)C1CC1 ZINC000860204275 636825728 /nfs/dbraw/zinc/82/57/28/636825728.db2.gz ALTJNDNALLQTGT-CYBMUJFWSA-N 0 1 252.745 2.883 20 30 CFEDMN CCCCCCCNC(=O)N1CCNC[C@@H]1C(C)C ZINC000861655617 637224668 /nfs/dbraw/zinc/22/46/68/637224668.db2.gz WAHPJJRUOZNMOC-CQSZACIVSA-N 0 1 269.433 2.596 20 30 CFEDMN C#CCN(Cc1cccc(C(=O)OCC)n1)C1CCCC1 ZINC000862250823 637301400 /nfs/dbraw/zinc/30/14/00/637301400.db2.gz QEQQOBYNLOZFOI-UHFFFAOYSA-N 0 1 286.375 2.636 20 30 CFEDMN C#C[C@@H](C)NCc1cccc(F)c1OCC(F)(F)F ZINC000862363975 637336272 /nfs/dbraw/zinc/33/62/72/637336272.db2.gz YFGQJUPZFLAZBF-SECBINFHSA-N 0 1 275.245 2.878 20 30 CFEDMN Cc1sccc1CN1CCN(c2ccc(C#N)nc2)CC1 ZINC000862423024 637373282 /nfs/dbraw/zinc/37/32/82/637373282.db2.gz NFDWYPKSZWQZPN-UHFFFAOYSA-N 0 1 298.415 2.645 20 30 CFEDMN C#CC[C@H]1CC[N@@H+](Cc2c([O-])cccc2Br)C1 ZINC000862447322 637387236 /nfs/dbraw/zinc/38/72/36/637387236.db2.gz LNUBGWBXKYRIMU-NSHDSACASA-N 0 1 294.192 3.000 20 30 CFEDMN C#CC[C@H]1CC[N@H+](Cc2c([O-])cccc2Br)C1 ZINC000862447322 637387241 /nfs/dbraw/zinc/38/72/41/637387241.db2.gz LNUBGWBXKYRIMU-NSHDSACASA-N 0 1 294.192 3.000 20 30 CFEDMN C#CC[C@H]1CCN(C(=O)c2ccc(O)c(Cl)c2)C1 ZINC000862561362 637428614 /nfs/dbraw/zinc/42/86/14/637428614.db2.gz KFTMXNOAQOJMMZ-JTQLQIEISA-N 0 1 263.724 2.531 20 30 CFEDMN C#CC[C@H]1CCN(C(=O)[C@@H](c2ccccc2)N(CC)CC)C1 ZINC000862566948 637433171 /nfs/dbraw/zinc/43/31/71/637433171.db2.gz WVOHSLFUAKHIPH-FUHWJXTLSA-N 0 1 298.430 2.941 20 30 CFEDMN Fc1cc(F)c(N=NC2C[N@H+]3C[C@@H]2CCC3)cc1F ZINC000863094765 637554036 /nfs/dbraw/zinc/55/40/36/637554036.db2.gz RLAXMMFQFMAQFP-QMMMGPOBSA-N 0 1 269.270 2.597 20 30 CFEDMN Fc1cc(F)c(N=NC2CN3C[C@@H]2CCC3)cc1F ZINC000863094765 637554041 /nfs/dbraw/zinc/55/40/41/637554041.db2.gz RLAXMMFQFMAQFP-QMMMGPOBSA-N 0 1 269.270 2.597 20 30 CFEDMN Cc1ccc[nH+]c1[N-]N=C1CCCc2scnc21 ZINC000863107181 637556325 /nfs/dbraw/zinc/55/63/25/637556325.db2.gz HBPTUHRNKRGQSH-UHFFFAOYSA-N 0 1 258.350 2.999 20 30 CFEDMN Cc1cccnc1NN=C1CCCc2scnc21 ZINC000863107181 637556328 /nfs/dbraw/zinc/55/63/28/637556328.db2.gz HBPTUHRNKRGQSH-UHFFFAOYSA-N 0 1 258.350 2.999 20 30 CFEDMN COc1cc2c(cc1C=NNc1ccncc1C)O[C@H](C)C2 ZINC000863157036 637571377 /nfs/dbraw/zinc/57/13/77/637571377.db2.gz GHAOFTFVWILGRO-GFCCVEGCSA-N 0 1 297.358 2.590 20 30 CFEDMN C=CCN1CCN(CN2CCC[C@H](C/C=C\C)C2)C1=O ZINC000863340344 637630669 /nfs/dbraw/zinc/63/06/69/637630669.db2.gz KDPPMYFZYDIJTF-QTLSWZBMSA-N 0 1 277.412 2.546 20 30 CFEDMN CC(C)(C)C#CC(=O)Nc1ccc(-n2ccc(=O)[nH]2)cc1 ZINC000863477586 637672466 /nfs/dbraw/zinc/67/24/66/637672466.db2.gz QBHCANYQFYDDIQ-UHFFFAOYSA-N 0 1 283.331 2.566 20 30 CFEDMN N#CCCNCC1(O)CCC(c2ccccc2)CC1 ZINC000863554682 637694384 /nfs/dbraw/zinc/69/43/84/637694384.db2.gz FLYCKIKPWYTCJI-UHFFFAOYSA-N 0 1 258.365 2.579 20 30 CFEDMN Cc1cccc2nc(CN=Cc3ccc(O)c(O)c3O)[nH]c21 ZINC000119532242 637703802 /nfs/dbraw/zinc/70/38/02/637703802.db2.gz HXTHKBCLYLZIDZ-REZTVBANSA-N 0 1 297.314 2.607 20 30 CFEDMN C=C1CC(C)(C(=O)Nc2ccc(N3CCN(C)CC3)cc2)C1 ZINC000864552629 638025475 /nfs/dbraw/zinc/02/54/75/638025475.db2.gz XABNNRPEBZAYEW-UHFFFAOYSA-N 0 1 299.418 2.733 20 30 CFEDMN C=CCCN(OCc1ccccc1)C(=O)c1ncccc1O ZINC000189913142 650401151 /nfs/dbraw/zinc/40/11/51/650401151.db2.gz WLXVDWBUSDISLL-UHFFFAOYSA-N 0 1 298.342 2.937 20 30 CFEDMN CC(C)n1nccc1CNc1nc2ccc(C#N)cc2[nH]1 ZINC000865295493 638261427 /nfs/dbraw/zinc/26/14/27/638261427.db2.gz HUJXBCNNRUSRQR-UHFFFAOYSA-N 0 1 280.335 2.824 20 30 CFEDMN C=CC[C@@H](CO)CNCc1c(Cl)cncc1Cl ZINC000865520828 638392884 /nfs/dbraw/zinc/39/28/84/638392884.db2.gz XZHIHKMFENULEC-SECBINFHSA-N 0 1 275.179 2.663 20 30 CFEDMN C[C@H]1CN(c2cc(C(F)(F)F)cc(C#N)n2)[C@@H](C)CN1C ZINC000865652527 638488975 /nfs/dbraw/zinc/48/89/75/638488975.db2.gz AUASJDZAGJKOLE-UWVGGRQHSA-N 0 1 298.312 2.501 20 30 CFEDMN N#Cc1ccccc1N1CCC(NCc2nccs2)CC1 ZINC000865696427 638520198 /nfs/dbraw/zinc/52/01/98/638520198.db2.gz CYLAZPZWYZVQSR-UHFFFAOYSA-N 0 1 298.415 2.773 20 30 CFEDMN C#CCOc1ccccc1CN[C@@H]1C[C@H]1C(F)(F)F ZINC000865754708 638553827 /nfs/dbraw/zinc/55/38/27/638553827.db2.gz ZQNSFEUPCDBIGP-VXGBXAGGSA-N 0 1 269.266 2.739 20 30 CFEDMN CCN1CCN(c2cc(C(F)(F)F)cc(C#N)n2)[C@H](C)C1 ZINC000865797946 638577950 /nfs/dbraw/zinc/57/79/50/638577950.db2.gz PRMCVCBTGOOZJF-SNVBAGLBSA-N 0 1 298.312 2.502 20 30 CFEDMN C[C@@H](NCc1ccc(O[C@@H](C)C#N)cc1)c1ccnn1C ZINC000865838908 638605256 /nfs/dbraw/zinc/60/52/56/638605256.db2.gz PHDJYGVLSYJCHV-QWHCGFSZSA-N 0 1 284.363 2.562 20 30 CFEDMN C=C[C@H](CO)N[C@H](C)c1cc2c(ccnc2Cl)o1 ZINC000866391317 638812906 /nfs/dbraw/zinc/81/29/06/638812906.db2.gz FCSNRHFJCAMMPH-RKDXNWHRSA-N 0 1 266.728 2.679 20 30 CFEDMN C[C@@H]1CCC[C@H](CC(=O)C(C#N)C(=O)N2CCCC2)C1 ZINC000122410025 639026875 /nfs/dbraw/zinc/02/68/75/639026875.db2.gz YKENBPCXJNFMQK-HZSPNIEDSA-N 0 1 276.380 2.534 20 30 CFEDMN C=C1CC(C)(C(=O)N2CC3(CN(Cc4ccccc4)C3)C2)C1 ZINC000869813424 639419322 /nfs/dbraw/zinc/41/93/22/639419322.db2.gz WNBPRRUFVHHIQQ-UHFFFAOYSA-N 0 1 296.414 2.687 20 30 CFEDMN CCCCCCNC(=O)C(C#N)C(=O)[C@@H]1C[C@@H]1[C@@H]1C[C@H]1C ZINC000870134261 639527540 /nfs/dbraw/zinc/52/75/40/639527540.db2.gz LYCHTXJOBSJUIF-KJWHEZOQSA-N 0 1 290.407 2.684 20 30 CFEDMN Cc1ccc(CON=C(N)CN2CCCCCC2)cc1 ZINC000078639347 650520297 /nfs/dbraw/zinc/52/02/97/650520297.db2.gz QFHINYDPEAYTTP-UHFFFAOYSA-N 0 1 275.396 2.660 20 30 CFEDMN CC[C@H](CC(F)(F)F)C(=O)NOc1cccc(C#N)c1 ZINC000870690838 639773654 /nfs/dbraw/zinc/77/36/54/639773654.db2.gz VFMOPAMKBVXMCG-SNVBAGLBSA-N 0 1 286.253 2.947 20 30 CFEDMN CC(C)(C)/C=C\C(=O)Nc1nc2ccc(C#N)cc2[nH]1 ZINC000871070543 641184598 /nfs/dbraw/zinc/18/45/98/641184598.db2.gz MAGNDKJZAXSUQA-SREVYHEPSA-N 0 1 268.320 2.975 20 30 CFEDMN N#Cc1ccc2nc(NC(=O)CCC3CC3)[nH]c2c1 ZINC000871070825 641184751 /nfs/dbraw/zinc/18/47/51/641184751.db2.gz OCFPYNDGZMPPLB-UHFFFAOYSA-N 0 1 254.293 2.563 20 30 CFEDMN CCC(C)(C)C(=O)Nc1nc2ccc(C#N)cc2[nH]1 ZINC000871070463 641185010 /nfs/dbraw/zinc/18/50/10/641185010.db2.gz LFOCOLDNOCCKQR-UHFFFAOYSA-N 0 1 256.309 2.809 20 30 CFEDMN COCCC1(C(=O)Nc2nc3ccc(C#N)cc3[nH]2)CCC1 ZINC000871072686 641186713 /nfs/dbraw/zinc/18/67/13/641186713.db2.gz OEAVPAPUMBYWEH-UHFFFAOYSA-N 0 1 298.346 2.580 20 30 CFEDMN CS[C@H](C)CC(=O)Nc1nc2ccc(C#N)cc2[nH]1 ZINC000871072650 641186838 /nfs/dbraw/zinc/18/68/38/641186838.db2.gz NCOZKJRYZZVOLY-MRVPVSSYSA-N 0 1 274.349 2.515 20 30 CFEDMN N#Cc1ccc2nc(NC(=O)C3(CCF)CC3)[nH]c2c1 ZINC000871073032 641186866 /nfs/dbraw/zinc/18/68/66/641186866.db2.gz QJHLNMSBOFKPRS-UHFFFAOYSA-N 0 1 272.283 2.513 20 30 CFEDMN CCCCCNC(=O)C(C#N)C(=O)CSC(C)(C)C ZINC000193377605 650648577 /nfs/dbraw/zinc/64/85/77/650648577.db2.gz XNBCCIIPNCUFOP-LLVKDONJSA-N 0 1 284.425 2.533 20 30 CFEDMN Cc1[nH]n([C@H]2CCOC3(CCCC3)C2)c(=O)c1CCC#N ZINC000871964014 641534639 /nfs/dbraw/zinc/53/46/39/641534639.db2.gz NXQJNKNARJJRRU-KBPBESRZSA-N 0 1 289.379 2.616 20 30 CFEDMN C=CC[C@H](CO)CN[C@@H](C)c1c(F)cccc1[N+](=O)[O-] ZINC000872054598 641589752 /nfs/dbraw/zinc/58/97/52/641589752.db2.gz ZMSPTQPUUUTYEK-QWRGUYRKSA-N 0 1 282.315 2.569 20 30 CFEDMN CN(C)[C@H](CNC(=O)C#Cc1ccccc1)c1cccs1 ZINC000080490262 650683193 /nfs/dbraw/zinc/68/31/93/650683193.db2.gz WWHNGQYHKIMDOK-OAHLLOKOSA-N 0 1 298.411 2.519 20 30 CFEDMN C=C(C)[C@H](NC[C@@H](O)CC(C)(C)O)c1ccc(F)c(F)c1 ZINC000872206141 641701411 /nfs/dbraw/zinc/70/14/11/641701411.db2.gz PBNSOSCEKXJGQZ-WFASDCNBSA-N 0 1 299.361 2.694 20 30 CFEDMN C[C@H](c1ccc(C#N)cc1)N1CCN(C)c2ncccc2C1 ZINC000872318638 641755239 /nfs/dbraw/zinc/75/52/39/641755239.db2.gz LIFBMWRZYDSTRR-CQSZACIVSA-N 0 1 292.386 2.966 20 30 CFEDMN C[C@@H]1C(N=Nc2ccc3ccccc3n2)CCN1C ZINC000872328650 641757594 /nfs/dbraw/zinc/75/75/94/641757594.db2.gz WZKNGJHDEKUDKK-LLVKDONJSA-N 0 1 254.337 2.727 20 30 CFEDMN C[C@@H]1C(N=Nc2ncccc2C(F)(F)F)CCN1C ZINC000872342619 641760254 /nfs/dbraw/zinc/76/02/54/641760254.db2.gz YSTUKLAITDVDRN-MRVPVSSYSA-N 0 1 272.274 2.592 20 30 CFEDMN C(=NNCCN1CCCCC1)C1([C@@H]2CCCCO2)CCC1 ZINC000872344691 641761713 /nfs/dbraw/zinc/76/17/13/641761713.db2.gz VNHCGZFWUYXFQM-INIZCTEOSA-N 0 1 293.455 2.787 20 30 CFEDMN Cc1ccnc(N)c1C=NNCCCc1ccccc1 ZINC000872349277 641762209 /nfs/dbraw/zinc/76/22/09/641762209.db2.gz NRWHJVHKDAIRCU-UHFFFAOYSA-N 0 1 268.364 2.529 20 30 CFEDMN CCC(=N[N-]c1[nH+]ccn1C)c1cccc(OC)c1OC ZINC000872370424 641776092 /nfs/dbraw/zinc/77/60/92/641776092.db2.gz ZJUWHYJRBADKEE-UHFFFAOYSA-N 0 1 288.351 2.664 20 30 CFEDMN Cc1noc2ncc(CN=Nc3nccnc3C(C)C)cc12 ZINC000872372514 641777662 /nfs/dbraw/zinc/77/76/62/641777662.db2.gz ZUHSJWQZOSCGSK-UHFFFAOYSA-N 0 1 296.334 2.891 20 30 CFEDMN COc1cccc2c1OCCCC2=NNc1ccncc1C ZINC000872391788 641788946 /nfs/dbraw/zinc/78/89/46/641788946.db2.gz APGOQTQWMLUFTE-UHFFFAOYSA-N 0 1 297.358 2.809 20 30 CFEDMN C=CC[C@@H]1CCCN(CN2C[C@H]3CCCCN3C2=O)C1 ZINC000872624315 641879406 /nfs/dbraw/zinc/87/94/06/641879406.db2.gz LLGNSXBXLGCIGG-HUUCEWRRSA-N 0 1 277.412 2.522 20 30 CFEDMN NC(=NOCC1CC1)c1ccc(N2CCCCC2)cc1 ZINC000124394323 642010433 /nfs/dbraw/zinc/01/04/33/642010433.db2.gz BDVLFWJWTMLNIG-UHFFFAOYSA-N 0 1 273.380 2.724 20 30 CFEDMN C#C[C@H]1CC[C@H](NCc2nn(C)c(C)c2Cl)CC1 ZINC000873197925 642061189 /nfs/dbraw/zinc/06/11/89/642061189.db2.gz JATJAGNRUNCJDW-HAQNSBGRSA-N 0 1 265.788 2.664 20 30 CFEDMN CCC[C@@H](CC)C(=O)C(C#N)C(=O)Nc1ccccn1 ZINC000873499339 642224148 /nfs/dbraw/zinc/22/41/48/642224148.db2.gz PIYZTVUREIRMNY-VXGBXAGGSA-N 0 1 273.336 2.555 20 30 CFEDMN C=CCCCCC[C@H](C)[NH2+]C1CCN(CC(=O)[O-])CC1 ZINC000874047642 642328098 /nfs/dbraw/zinc/32/80/98/642328098.db2.gz WMVSTWWXJKPFJZ-AWEZNQCLSA-N 0 1 282.428 2.650 20 30 CFEDMN CC[C@@H](C#N)C(=O)Nc1nc2ccc(Cl)cc2[nH]1 ZINC000874691274 642451981 /nfs/dbraw/zinc/45/19/81/642451981.db2.gz WZBJKGPCVMXNPY-ZETCQYMHSA-N 0 1 262.700 2.705 20 30 CFEDMN C=C(Br)CN[C@@H](CC)c1c(C)nn(C)c1C ZINC000125165614 642515111 /nfs/dbraw/zinc/51/51/11/642515111.db2.gz OADVSGKZGRCSLI-NSHDSACASA-N 0 1 286.217 2.986 20 30 CFEDMN C#CCOCCC(=O)Nc1ccc2nc(C3CCC3)[nH]c2c1 ZINC000125719537 642742827 /nfs/dbraw/zinc/74/28/27/642742827.db2.gz MWINSTKSZCMQCI-UHFFFAOYSA-N 0 1 297.358 2.809 20 30 CFEDMN C#CCN1CCC(C(=O)N2c3ccccc3CC2(C)C)CC1 ZINC000876036433 642754345 /nfs/dbraw/zinc/75/43/45/642754345.db2.gz ISKLJZQYBJKHNF-UHFFFAOYSA-N 0 1 296.414 2.700 20 30 CFEDMN C=C(C)COCC[NH2+]Cc1c([O-])cccc1Cl ZINC000125782564 642780643 /nfs/dbraw/zinc/78/06/43/642780643.db2.gz QCHBDTWQZMBVFU-UHFFFAOYSA-N 0 1 255.745 2.728 20 30 CFEDMN C=CCN(Cc1cc(C)c(C(=O)OC)[nH]1)C(C)C ZINC000876597180 642939768 /nfs/dbraw/zinc/93/97/68/642939768.db2.gz MFDIKMAEPNYXQR-UHFFFAOYSA-N 0 1 250.342 2.506 20 30 CFEDMN C#CCCCCCCN1CCc2ccccc2[C@@H]1C(N)=O ZINC000876650361 642959071 /nfs/dbraw/zinc/95/90/71/642959071.db2.gz CJRFLULOUQZWCO-QGZVFWFLSA-N 0 1 284.403 2.655 20 30 CFEDMN C=C(Cl)C[C@@H](N)C(=O)Nc1ccc2c(c1)C(=O)CCC2 ZINC000876656360 642961068 /nfs/dbraw/zinc/96/10/68/642961068.db2.gz MBELDZYCPKSMEZ-CYBMUJFWSA-N 0 1 292.766 2.614 20 30 CFEDMN Cc1cccc(NC(=O)C(C#N)C(=O)[C@H]2CC2(C)C)c1 ZINC000126091188 642968112 /nfs/dbraw/zinc/96/81/12/642968112.db2.gz MNYGRAZDAJCICG-QWHCGFSZSA-N 0 1 270.332 2.689 20 30 CFEDMN CCOP(=O)(CCCN(C)[C@@H](C)CC#N)OCC ZINC000876690868 642975367 /nfs/dbraw/zinc/97/53/67/642975367.db2.gz TWOKHIKLBLBBQE-LBPRGKRZSA-N 0 1 276.317 2.877 20 30 CFEDMN C=C1CCN(C[C@H](CCOC)NC(=O)OC(C)(C)C)CC1 ZINC000876694674 642977699 /nfs/dbraw/zinc/97/76/99/642977699.db2.gz LUHGDBRLDKGPIW-AWEZNQCLSA-N 0 1 298.427 2.568 20 30 CFEDMN CC(C)NC(=O)[C@H](C#N)C(=O)CC1(C)CCCCC1 ZINC000126145434 642995091 /nfs/dbraw/zinc/99/50/91/642995091.db2.gz REAKZVGUDYRRIE-GFCCVEGCSA-N 0 1 264.369 2.580 20 30 CFEDMN C#CCN(Cc1c2c(nn1C)CCCC2)C1CCCC1 ZINC000876784294 643007232 /nfs/dbraw/zinc/00/72/32/643007232.db2.gz AGBZSEMKUJHKLV-UHFFFAOYSA-N 0 1 271.408 2.677 20 30 CFEDMN COc1ccc(CNCc2cccc(F)c2)cc1C#N ZINC000087822827 650806139 /nfs/dbraw/zinc/80/61/39/650806139.db2.gz VZPSZPSXGAJXLK-UHFFFAOYSA-N 0 1 270.307 2.996 20 30 CFEDMN Cc1nc(CCNCc2cc(C#N)cnc2Cl)cs1 ZINC000876924062 643066410 /nfs/dbraw/zinc/06/64/10/643066410.db2.gz IJZYQUCVSCOWBU-UHFFFAOYSA-N 0 1 292.795 2.704 20 30 CFEDMN C=C(Br)CN[C@H](C)CC1(C#N)CCOCC1 ZINC000877019692 643106547 /nfs/dbraw/zinc/10/65/47/643106547.db2.gz CPFZYOIRCRFYGM-LLVKDONJSA-N 0 1 287.201 2.584 20 30 CFEDMN C=CC[C@@H](NCc1cnc(OC)s1)c1ccncc1 ZINC000877046280 643119649 /nfs/dbraw/zinc/11/96/49/643119649.db2.gz KYORIJSLPXCAAK-CYBMUJFWSA-N 0 1 275.377 2.954 20 30 CFEDMN CCC(C)(C)CCNC(=O)[C@H]1NCCc2cc(C#N)ccc21 ZINC000877147361 643177321 /nfs/dbraw/zinc/17/73/21/643177321.db2.gz AJHSJYLZDLRIEC-INIZCTEOSA-N 0 1 299.418 2.688 20 30 CFEDMN COC(=O)c1cccc2c(CNCC(C)(C)C#N)ccnc12 ZINC000877323332 643238868 /nfs/dbraw/zinc/23/88/68/643238868.db2.gz MOODROPKWBNIRU-UHFFFAOYSA-N 0 1 297.358 2.661 20 30 CFEDMN N#Cc1cnc(Cl)c(CNCCOCC2CCC2)c1 ZINC000877374260 643248622 /nfs/dbraw/zinc/24/86/22/643248622.db2.gz CSCNRIVNCAZJIJ-UHFFFAOYSA-N 0 1 279.771 2.513 20 30 CFEDMN CC[C@@H](C#N)OC(=O)c1[nH]c(-c2cccc(OC)c2)nc1C ZINC000089240288 650831300 /nfs/dbraw/zinc/83/13/00/650831300.db2.gz GQTWVOYXUGLUFJ-LBPRGKRZSA-N 0 1 299.330 2.853 20 30 CFEDMN C#CCCCCCCN1CCO[C@H](COC(C)C)C1 ZINC000877403017 643261238 /nfs/dbraw/zinc/26/12/38/643261238.db2.gz LDYCKKOUONRELJ-INIZCTEOSA-N 0 1 267.413 2.696 20 30 CFEDMN C#CCn1ccc(CN(CCOC)CC2(C)CCCC2)n1 ZINC000877484338 643299124 /nfs/dbraw/zinc/29/91/24/643299124.db2.gz CWJUQABOBYJVGV-UHFFFAOYSA-N 0 1 289.423 2.545 20 30 CFEDMN C#CCCCCCCN1C[C@@H](CC)[S@@](=O)[C@@H](C)C1 ZINC000877519651 643323716 /nfs/dbraw/zinc/32/37/16/643323716.db2.gz YZVSFSACBBUABX-DAYGRLMNSA-N 0 1 269.454 2.802 20 30 CFEDMN C#C[C@@H](NCc1ccccc1OCCCCO)C(C)(C)C ZINC000877534402 643337887 /nfs/dbraw/zinc/33/78/87/643337887.db2.gz HXGAQRUIXGBJJC-QGZVFWFLSA-N 0 1 289.419 2.975 20 30 CFEDMN CCOCC(C)(C)NCc1cc(C#N)cnc1Cl ZINC000877551223 643350672 /nfs/dbraw/zinc/35/06/72/643350672.db2.gz VCVFZGRPASDWCT-UHFFFAOYSA-N 0 1 267.760 2.511 20 30 CFEDMN COc1ccc2c(c1)CN(C[C@H](C)CCC#N)CCO2 ZINC000877567727 643366494 /nfs/dbraw/zinc/36/64/94/643366494.db2.gz QOAYKQXIRRUHJU-CYBMUJFWSA-N 0 1 274.364 2.829 20 30 CFEDMN C#CC[C@H]1CCN(Cc2nc3cc(F)ccc3o2)C1 ZINC000877650707 643432294 /nfs/dbraw/zinc/43/22/94/643432294.db2.gz UESYLHUCURBDKL-NSHDSACASA-N 0 1 258.296 2.812 20 30 CFEDMN COc1cc(CN(C)CCc2cccc(C#N)c2)sn1 ZINC000877704297 643471265 /nfs/dbraw/zinc/47/12/65/643471265.db2.gz GTSFQMUIUUXZJY-UHFFFAOYSA-N 0 1 287.388 2.698 20 30 CFEDMN Cc1cnccc1CN1CCN(c2ccc(C#N)cc2)CC1 ZINC000877745384 643525324 /nfs/dbraw/zinc/52/53/24/643525324.db2.gz RTUXDPRGRVDJNB-UHFFFAOYSA-N 0 1 292.386 2.584 20 30 CFEDMN C#CCCCCCN1CCN(C(=O)C(CC)CC)CC1 ZINC000877897596 643628409 /nfs/dbraw/zinc/62/84/09/643628409.db2.gz MYSSVBBYJTXDEM-UHFFFAOYSA-N 0 1 278.440 2.760 20 30 CFEDMN C=CC[C@@H](C)[N@@H+](C)Cc1nc2ccccc2c(=O)[nH]1 ZINC000877949436 643658665 /nfs/dbraw/zinc/65/86/65/643658665.db2.gz FJIRCVIXNCPWEP-LLVKDONJSA-N 0 1 257.337 2.732 20 30 CFEDMN C=CC[C@@H](C)N(C)Cc1nc2ccccc2c(=O)[nH]1 ZINC000877949436 643658669 /nfs/dbraw/zinc/65/86/69/643658669.db2.gz FJIRCVIXNCPWEP-LLVKDONJSA-N 0 1 257.337 2.732 20 30 CFEDMN C#CCCCCC[N@@H+]1CCC[C@H]1C(=O)NCc1ccco1 ZINC000878101885 643735068 /nfs/dbraw/zinc/73/50/68/643735068.db2.gz MDBKMSJANFDETM-INIZCTEOSA-N 0 1 288.391 2.554 20 30 CFEDMN C=CC[C@@H](C)N1CCN(C(=O)c2ccc(C)cc2)CC1 ZINC000878209693 643794443 /nfs/dbraw/zinc/79/44/43/643794443.db2.gz HBIUPCWWBJZNJF-OAHLLOKOSA-N 0 1 272.392 2.717 20 30 CFEDMN CC(C)(C)OC(=O)NC1CCN(CC2(CC#N)CC2)CC1 ZINC000878212025 643794474 /nfs/dbraw/zinc/79/44/74/643794474.db2.gz GPSHOIABXJKGLV-UHFFFAOYSA-N 0 1 293.411 2.669 20 30 CFEDMN C#CCCCCCN1CCN(Cc2c(C)noc2C)CC1 ZINC000878220254 643797761 /nfs/dbraw/zinc/79/77/61/643797761.db2.gz YWUWMBYIEDIBOT-UHFFFAOYSA-N 0 1 289.423 2.603 20 30 CFEDMN C=CC[C@H](C)N(C)CC(=O)Nc1cc(F)cc(F)c1 ZINC000878233553 643802903 /nfs/dbraw/zinc/80/29/03/643802903.db2.gz NDXRDCHGGPHHOC-JTQLQIEISA-N 0 1 268.307 2.800 20 30 CFEDMN CC(C)n1cnnc1[C@@H]1CCCN(Cc2ccc(C#N)o2)C1 ZINC000878279872 643819512 /nfs/dbraw/zinc/81/95/12/643819512.db2.gz LJVOUUPXUSIVPY-CYBMUJFWSA-N 0 1 299.378 2.703 20 30 CFEDMN C#CCCCCCN[C@H](CO)c1c(F)cccc1F ZINC000878395121 643871183 /nfs/dbraw/zinc/87/11/83/643871183.db2.gz VGIJEWGUTBUBLB-CQSZACIVSA-N 0 1 267.319 2.781 20 30 CFEDMN C#CCCCCCN([C@H](C)C(=O)OCC)C1CC1 ZINC000878494475 643916319 /nfs/dbraw/zinc/91/63/19/643916319.db2.gz NGMZTNCREVWVTA-CYBMUJFWSA-N 0 1 251.370 2.596 20 30 CFEDMN C=CC[C@H](C)N1CCO[C@H](COc2ccccc2)C1 ZINC000878500563 643918460 /nfs/dbraw/zinc/91/84/60/643918460.db2.gz APWMAIRFXPQPFN-HOCLYGCPSA-N 0 1 261.365 2.731 20 30 CFEDMN CC(C)NC(=O)OC[C@H]1CCCCN1CC1(CC#N)CC1 ZINC000878614791 643958543 /nfs/dbraw/zinc/95/85/43/643958543.db2.gz RNGADNLQOJASQG-CQSZACIVSA-N 0 1 293.411 2.669 20 30 CFEDMN C[C@@H](CC#N)NC[C@H](O)Cc1ccc(C(F)(F)F)cc1 ZINC000878821379 644039305 /nfs/dbraw/zinc/03/93/05/644039305.db2.gz XZVBPXVHLGAWDU-GXFFZTMASA-N 0 1 286.297 2.501 20 30 CFEDMN C#C[C@@H]1CCCN(CC[C@@](C#N)(C(C)=O)c2ccccc2)C1 ZINC000878843979 644046954 /nfs/dbraw/zinc/04/69/54/644046954.db2.gz OGPLVKPHOQDQPT-IEBWSBKVSA-N 0 1 294.398 2.772 20 30 CFEDMN C#C[C@@H]1CCCN(CC[C@](C#N)(C(C)=O)c2ccccc2)C1 ZINC000878843980 644047180 /nfs/dbraw/zinc/04/71/80/644047180.db2.gz OGPLVKPHOQDQPT-MJGOQNOKSA-N 0 1 294.398 2.772 20 30 CFEDMN C=CC[C@H](C)N1CCN(c2ccsc2C#N)CC1 ZINC000878888296 644062161 /nfs/dbraw/zinc/06/21/61/644062161.db2.gz MIMXYAJNAJBFTC-LBPRGKRZSA-N 0 1 261.394 2.706 20 30 CFEDMN N#Cc1ccc(C2CCN(C/C=C/Cl)CC2)nc1 ZINC000879026813 644117153 /nfs/dbraw/zinc/11/71/53/644117153.db2.gz WYQTWSSDSHXDCA-LZCJLJQNSA-N 0 1 261.756 2.885 20 30 CFEDMN C=CC[C@H]1CCN(Cc2csc(-c3ccn(C)n3)n2)C1 ZINC000879031881 644119606 /nfs/dbraw/zinc/11/96/06/644119606.db2.gz CNZLTBDHWZWPBL-LBPRGKRZSA-N 0 1 288.420 2.942 20 30 CFEDMN C=CCCN1C[C@H]2CC[C@@H](C1)N2C(=O)OC(C)(C)C ZINC000879220519 644179922 /nfs/dbraw/zinc/17/99/22/644179922.db2.gz QMMKKIYUPGKTOQ-BETUJISGSA-N 0 1 266.385 2.646 20 30 CFEDMN C=CCCC[C@H](C(=O)NCCN1CCC1)c1ccccc1 ZINC000879271009 644202107 /nfs/dbraw/zinc/20/21/07/644202107.db2.gz USXOBYLJOIZTKJ-KRWDZBQOSA-N 0 1 286.419 2.948 20 30 CFEDMN CN(CCC(=O)OCc1ccccc1)[C@@H]1CCC[C@@H]1C#N ZINC000879312008 644219586 /nfs/dbraw/zinc/21/95/86/644219586.db2.gz ZZLFOSXYBQOFID-HZPDHXFCSA-N 0 1 286.375 2.744 20 30 CFEDMN CN(CCC(=O)OCc1ccccc1)[C@H]1CCC[C@@H]1C#N ZINC000879312006 644220004 /nfs/dbraw/zinc/22/00/04/644220004.db2.gz ZZLFOSXYBQOFID-CVEARBPZSA-N 0 1 286.375 2.744 20 30 CFEDMN C=CCCC[C@H](C)NC(=O)[C@@H]1c2cn[nH]c2CC[C@H]1C ZINC000879391960 644255071 /nfs/dbraw/zinc/25/50/71/644255071.db2.gz QPYIKVZGEYNSIT-XUJVJEKNSA-N 0 1 275.396 2.937 20 30 CFEDMN Cc1cc(=O)[n-]c([C@@H](C)[N@H+](C)CCc2cccc(C#N)c2)n1 ZINC000879433145 644270976 /nfs/dbraw/zinc/27/09/76/644270976.db2.gz PTSXDTWHDPHMTL-CYBMUJFWSA-N 0 1 296.374 2.598 20 30 CFEDMN Cc1cc(=O)[n-]c([C@@H](C)[N@@H+](C)CCc2cccc(C#N)c2)n1 ZINC000879433145 644270979 /nfs/dbraw/zinc/27/09/79/644270979.db2.gz PTSXDTWHDPHMTL-CYBMUJFWSA-N 0 1 296.374 2.598 20 30 CFEDMN Cc1cc(=O)[nH]c([C@@H](C)N(C)CCc2cccc(C#N)c2)n1 ZINC000879433145 644270985 /nfs/dbraw/zinc/27/09/85/644270985.db2.gz PTSXDTWHDPHMTL-CYBMUJFWSA-N 0 1 296.374 2.598 20 30 CFEDMN COc1cccc(CN2CCN([C@H](C)CCC#N)CC2)c1 ZINC000879449041 644276506 /nfs/dbraw/zinc/27/65/06/644276506.db2.gz IAQICESTUIEGQR-OAHLLOKOSA-N 0 1 287.407 2.505 20 30 CFEDMN COc1cccc(CN2CCN([C@H]3CC[C@@H](C#N)C3)CC2)c1 ZINC000879449931 644276665 /nfs/dbraw/zinc/27/66/65/644276665.db2.gz UNDMSLANHPBIJI-WBVHZDCISA-N 0 1 299.418 2.505 20 30 CFEDMN N#CCCCN1CCC(c2nc(C3CCC3)no2)CC1 ZINC000879550822 644314866 /nfs/dbraw/zinc/31/48/66/644314866.db2.gz JRBZLLUMFUXGAP-UHFFFAOYSA-N 0 1 274.368 2.820 20 30 CFEDMN N#Cc1cc(F)ccc1CN1CC[C@H]2CSC[C@H]2C1 ZINC000879560822 644321178 /nfs/dbraw/zinc/32/11/78/644321178.db2.gz YNCMWBUWCXSDOK-GXTWGEPZSA-N 0 1 276.380 2.882 20 30 CFEDMN CC(C)(C#N)CCN1CCN(c2ccc(C#N)cc2)CC1 ZINC000879586790 644341578 /nfs/dbraw/zinc/34/15/78/644341578.db2.gz UVGYILGDUUSPHI-UHFFFAOYSA-N 0 1 282.391 2.620 20 30 CFEDMN C=CCNC(=O)CN1CC[C@H](c2ccccc2F)C1(C)C ZINC000879639854 644360384 /nfs/dbraw/zinc/36/03/84/644360384.db2.gz DGUNGAUSGLVTLV-CQSZACIVSA-N 0 1 290.382 2.696 20 30 CFEDMN CCCCCNC(=O)C(C#N)C(=O)C[C@@H]1CC[C@@H](C)C1 ZINC000247652650 650914627 /nfs/dbraw/zinc/91/46/27/650914627.db2.gz PIOBXNKQSZKSIL-MGPQQGTHSA-N 0 1 278.396 2.828 20 30 CFEDMN C[C@H](NCC#Cc1ccc(Cl)cc1)c1ccnn1C ZINC000879685619 644380185 /nfs/dbraw/zinc/38/01/85/644380185.db2.gz YOYABTCTTLTLHI-LBPRGKRZSA-N 0 1 273.767 2.776 20 30 CFEDMN CCC#C[C@H](C)N1Cc2cccnc2N2CCC[C@H]2C1 ZINC000879691463 644384032 /nfs/dbraw/zinc/38/40/32/644384032.db2.gz ZMPNZBJRGWWKLW-HOCLYGCPSA-N 0 1 269.392 2.668 20 30 CFEDMN CC[N@@H+](Cc1cnn(C)c1)Cc1ccc(O[C@H](C)C#N)cc1 ZINC000092437811 650920186 /nfs/dbraw/zinc/92/01/86/650920186.db2.gz BUHUAPOOOWDTLO-CQSZACIVSA-N 0 1 298.390 2.733 20 30 CFEDMN CCN(Cc1cnn(C)c1)Cc1ccc(O[C@H](C)C#N)cc1 ZINC000092437811 650920187 /nfs/dbraw/zinc/92/01/87/650920187.db2.gz BUHUAPOOOWDTLO-CQSZACIVSA-N 0 1 298.390 2.733 20 30 CFEDMN C=C(C)CON=C(N)c1ccc(N2CCCCC2)cc1 ZINC000092896582 650927628 /nfs/dbraw/zinc/92/76/28/650927628.db2.gz NQXCLWHRWPWRMN-UHFFFAOYSA-N 0 1 273.380 2.890 20 30 CFEDMN C=C(CC)CN1CC[C@@H](C(F)(F)F)O[C@H](C)C1 ZINC000880061819 644519185 /nfs/dbraw/zinc/51/91/85/644519185.db2.gz BGSOCQCBRLSABN-MNOVXSKESA-N 0 1 251.292 2.994 20 30 CFEDMN N#Cc1cc(CN[C@@]2(c3ccccc3)C[C@@H](O)C2)ccc1F ZINC000880224066 644588893 /nfs/dbraw/zinc/58/88/93/644588893.db2.gz BFPKGFGDYMOTNM-MAEOIBBWSA-N 0 1 296.345 2.837 20 30 CFEDMN C=CC(C)(C)CC(=O)N1CCN([C@H](C)CC)CC1 ZINC000880231635 644592212 /nfs/dbraw/zinc/59/22/12/644592212.db2.gz VDFNBSGIGBMZNV-CYBMUJFWSA-N 0 1 252.402 2.531 20 30 CFEDMN N#CCN1CCC[C@H](c2cc(-c3ccccc3)[nH]n2)C1 ZINC000880275227 644623679 /nfs/dbraw/zinc/62/36/79/644623679.db2.gz LXJIAZQOOZBKSC-AWEZNQCLSA-N 0 1 266.348 2.780 20 30 CFEDMN C[C@]1(c2ccccc2)CCCN1CC(=O)NC1(C#N)CCC1 ZINC000880371658 644673428 /nfs/dbraw/zinc/67/34/28/644673428.db2.gz NCVGVFDEIPDXPS-QGZVFWFLSA-N 0 1 297.402 2.560 20 30 CFEDMN C#C[C@H](NC(=O)[C@H]1c2cn[nH]c2CC[C@@H]1C)c1ccccc1 ZINC000880402659 644688974 /nfs/dbraw/zinc/68/89/74/644688974.db2.gz BLKTXVQYOWPBRC-YLQAJVPDSA-N 0 1 293.370 2.566 20 30 CFEDMN C#CCC1(O)CCN(Cc2ccccc2Cl)CC1 ZINC000880477454 644730160 /nfs/dbraw/zinc/73/01/60/644730160.db2.gz QYIWKLCQQJXSED-UHFFFAOYSA-N 0 1 263.768 2.690 20 30 CFEDMN C#CCC1(O)CCN([C@H](C)c2ccccc2[N+](=O)[O-])CC1 ZINC000880480366 644731461 /nfs/dbraw/zinc/73/14/61/644731461.db2.gz QIUOAUQPWZFVGB-CYBMUJFWSA-N 0 1 288.347 2.506 20 30 CFEDMN C=CC[C@@H]1CCCN(C(=O)[C@H]2c3cn[nH]c3CC[C@@H]2C)C1 ZINC000880668935 644801809 /nfs/dbraw/zinc/80/18/09/644801809.db2.gz ATTKJGSLIXOUQY-WOSRLPQWSA-N 0 1 287.407 2.890 20 30 CFEDMN C=CCN1C(=O)N=NC1SC[C@H]1CC(C)(C)OC1(C)C ZINC000882139355 645217590 /nfs/dbraw/zinc/21/75/90/645217590.db2.gz VMNXUAIUKBRNDW-SNVBAGLBSA-N 0 1 297.424 2.856 20 30 CFEDMN C[C@H](Cc1cnc[nH]1)C(=O)Nc1ccc(C2CC2)c(C#N)c1 ZINC000882309753 645276663 /nfs/dbraw/zinc/27/66/63/645276663.db2.gz LLMXQQLRAWFNRG-LLVKDONJSA-N 0 1 294.358 2.976 20 30 CFEDMN C=CCC1(C(=O)NC[C@@H]2CCN2CC)CCCCC1 ZINC000882494751 645344495 /nfs/dbraw/zinc/34/44/95/645344495.db2.gz ULVLQPAWNCBHIC-AWEZNQCLSA-N 0 1 264.413 2.723 20 30 CFEDMN C[C@H]1CN(c2ccncc2C(F)(F)F)C[C@H](C)N1CC#N ZINC000882519395 645352120 /nfs/dbraw/zinc/35/21/20/645352120.db2.gz WAYAXWXFKNOFLA-QWRGUYRKSA-N 0 1 298.312 2.523 20 30 CFEDMN C[C@@H](c1ccccc1)N1CCN(c2cccnc2C#N)CC1 ZINC000882810423 645467939 /nfs/dbraw/zinc/46/79/39/645467939.db2.gz KYQSGADAHYRLPT-HNNXBMFYSA-N 0 1 292.386 2.836 20 30 CFEDMN CC(C)[C@H](O)CCn1[nH]c(C(C)(C)C)c(CCC#N)c1=O ZINC000882984132 645542240 /nfs/dbraw/zinc/54/22/40/645542240.db2.gz XPJJUDGUXUYNFY-CYBMUJFWSA-N 0 1 293.411 2.749 20 30 CFEDMN CN1CCc2cc(/C=C/C(=O)c3ccc(O)cc3O)ccc21 ZINC000130978925 645603797 /nfs/dbraw/zinc/60/37/97/645603797.db2.gz LKNXVYOUZYGJFX-XVNBXDOJSA-N 0 1 295.338 2.986 20 30 CFEDMN C#CC[C@@H](CO)NCc1csc(Cl)c1Cl ZINC000883124435 645614520 /nfs/dbraw/zinc/61/45/20/645614520.db2.gz GUHFFYKHMCOBTA-QMMMGPOBSA-N 0 1 264.177 2.529 20 30 CFEDMN C#CC[C@@H](CO)NCc1oc2ccccc2c1Cl ZINC000883125689 645614530 /nfs/dbraw/zinc/61/45/30/645614530.db2.gz QVNBTWRXOJCPBA-JTQLQIEISA-N 0 1 263.724 2.560 20 30 CFEDMN C#Cc1ccc(CNCc2cnc(CC)s2)cc1 ZINC000883132210 645618849 /nfs/dbraw/zinc/61/88/49/645618849.db2.gz IQXPTPMJCSCSIW-UHFFFAOYSA-N 0 1 256.374 2.977 20 30 CFEDMN C=CCC[C@@H](CO)NCc1c(F)cccc1OCC ZINC000883138977 645622167 /nfs/dbraw/zinc/62/21/67/645622167.db2.gz WDSJVXVSJDAUGB-LBPRGKRZSA-N 0 1 267.344 2.641 20 30 CFEDMN C=CCCSCCNCc1nc(C(C)C)c[nH]1 ZINC000883167116 645635452 /nfs/dbraw/zinc/63/54/52/645635452.db2.gz QCLWBDNJXTUHBC-UHFFFAOYSA-N 0 1 253.415 2.932 20 30 CFEDMN C=CCC[C@H](NCc1nnc(CC)s1)[C@H]1CCCO1 ZINC000883223739 645674872 /nfs/dbraw/zinc/67/48/72/645674872.db2.gz WBVIZIFCOKKJSA-NWDGAFQWSA-N 0 1 281.425 2.704 20 30 CFEDMN C=CCC[C@@H](NCc1coc(CC)n1)[C@@H]1CCCO1 ZINC000883227259 645676926 /nfs/dbraw/zinc/67/69/26/645676926.db2.gz OAJIDJAIPOTNMS-KGLIPLIRSA-N 0 1 264.369 2.840 20 30 CFEDMN N#Cc1csc(CN[C@@]2(c3ccccc3)C[C@@H](O)C2)c1 ZINC000883234585 645684456 /nfs/dbraw/zinc/68/44/56/645684456.db2.gz IDRIVBUDIBRQSH-FZNQNYSPSA-N 0 1 284.384 2.760 20 30 CFEDMN C=CCC[C@@H](NCc1nonc1C)[C@H]1Cc2ccccc2O1 ZINC000883244651 645692311 /nfs/dbraw/zinc/69/23/11/645692311.db2.gz SJHYTFDFFVWGDL-RHSMWYFYSA-N 0 1 299.374 2.806 20 30 CFEDMN N#C[C@H]1CC[C@H](NCc2cc(O)ccc2Cl)C1 ZINC000883325576 645741382 /nfs/dbraw/zinc/74/13/82/645741382.db2.gz FLHOJNGIGIAEEV-ONGXEEELSA-N 0 1 250.729 2.827 20 30 CFEDMN C#CC1(NCc2ccc(OC)c(OC)c2OC)CCCC1 ZINC000883362939 645769446 /nfs/dbraw/zinc/76/94/46/645769446.db2.gz RDMXBHPOLKCZDB-UHFFFAOYSA-N 0 1 289.375 2.748 20 30 CFEDMN C=CCN(CC=C)C(=O)CN[C@@H]1c2ccccc2NC1(C)C ZINC000883462271 645845257 /nfs/dbraw/zinc/84/52/57/645845257.db2.gz NJVFISMRXYRYRV-QGZVFWFLSA-N 0 1 299.418 2.722 20 30 CFEDMN C#CCN1CCC(N(C)C(=O)C(C)(C)c2ccccc2)CC1 ZINC001006378071 646012850 /nfs/dbraw/zinc/01/28/50/646012850.db2.gz RAEXGSXGRUTCRD-UHFFFAOYSA-N 0 1 298.430 2.520 20 30 CFEDMN CC(C)C(N)=NOCc1cc(F)cc2cccnc21 ZINC000133637180 646197305 /nfs/dbraw/zinc/19/73/05/646197305.db2.gz LOTZWXGMAAGVBJ-UHFFFAOYSA-N 0 1 261.300 2.819 20 30 CFEDMN COc1ccc(Cl)cc1CON=C(N)C(C)C ZINC000133662159 646203601 /nfs/dbraw/zinc/20/36/01/646203601.db2.gz QBKXZCBLGOPKCO-UHFFFAOYSA-N 0 1 256.733 2.793 20 30 CFEDMN CC(C)CN(CCC#N)CCC(=O)OC(C)(C)C ZINC000134915436 646403800 /nfs/dbraw/zinc/40/38/00/646403800.db2.gz LRAQYUGWXNGTGJ-UHFFFAOYSA-N 0 1 254.374 2.590 20 30 CFEDMN C#CCN1CCC[C@H](Nc2cccc(C(F)(F)F)n2)C1 ZINC000884611855 646486888 /nfs/dbraw/zinc/48/68/88/646486888.db2.gz WPRJRQVAFXCPIU-NSHDSACASA-N 0 1 283.297 2.610 20 30 CFEDMN C#CCN1CCC[C@H](Nc2cc(C(F)(F)F)ccn2)C1 ZINC000884611767 646487102 /nfs/dbraw/zinc/48/71/02/646487102.db2.gz UDWHMKFFYQWXPE-LBPRGKRZSA-N 0 1 283.297 2.610 20 30 CFEDMN CSCc1n[nH]c(CNc2c(Cl)cccc2C#N)n1 ZINC000884694987 646530893 /nfs/dbraw/zinc/53/08/93/646530893.db2.gz DQSBPRVXKOSGMQ-UHFFFAOYSA-N 0 1 293.783 2.805 20 30 CFEDMN CSCc1nnc(CNc2c(Cl)cccc2C#N)[nH]1 ZINC000884694987 646530898 /nfs/dbraw/zinc/53/08/98/646530898.db2.gz DQSBPRVXKOSGMQ-UHFFFAOYSA-N 0 1 293.783 2.805 20 30 CFEDMN C[C@@H]1CCc2[nH]ncc2[C@@H]1C(=O)OCc1ccccc1C#N ZINC000885260505 646651398 /nfs/dbraw/zinc/65/13/98/646651398.db2.gz QTXZICSHCQQAIF-BDJLRTHQSA-N 0 1 295.342 2.691 20 30 CFEDMN C=C(Br)COC(=O)[C@@H]1c2cn[nH]c2CC[C@H]1C ZINC000885263307 646652977 /nfs/dbraw/zinc/65/29/77/646652977.db2.gz SCYVPOPZTDCJHG-HQJQHLMTSA-N 0 1 299.168 2.527 20 30 CFEDMN C#CCN1CC[N@@H+](Cc2ccc(C)nc2)C[C@H]1[C@@H](C)CC ZINC000135872073 646661499 /nfs/dbraw/zinc/66/14/99/646661499.db2.gz WOTXTLVEYXGYAA-YJBOKZPZSA-N 0 1 285.435 2.556 20 30 CFEDMN C#Cc1ccc(NC(=O)C2(N(C)C)CCC2)c(Cl)c1 ZINC000885671144 646734340 /nfs/dbraw/zinc/73/43/40/646734340.db2.gz ADKXTQQBWLSJCY-UHFFFAOYSA-N 0 1 276.767 2.744 20 30 CFEDMN C#Cc1ccc(NC(=O)CN(CC)CC)c(Cl)c1 ZINC000885673110 646734467 /nfs/dbraw/zinc/73/44/67/646734467.db2.gz AVARYNWDNLDZBO-UHFFFAOYSA-N 0 1 264.756 2.602 20 30 CFEDMN Cc1csc(C(C#N)C(=O)C=Cc2cccnc2)n1 ZINC000136092233 646738961 /nfs/dbraw/zinc/73/89/61/646738961.db2.gz BXLRZPHTIZORQM-ITKZLYELSA-N 0 1 269.329 2.736 20 30 CFEDMN CN(Cc1ccccc1F)C[C@H](O)CC1(C#N)CCC1 ZINC000885931377 646772657 /nfs/dbraw/zinc/77/26/57/646772657.db2.gz SRHKMVLXLASGKA-CQSZACIVSA-N 0 1 276.355 2.702 20 30 CFEDMN CN(Cc1ccc(F)cc1F)C[C@@H](O)CC1(C#N)CCC1 ZINC000885952187 646780421 /nfs/dbraw/zinc/78/04/21/646780421.db2.gz YXYFTHRSNPTXQJ-AWEZNQCLSA-N 0 1 294.345 2.841 20 30 CFEDMN CC(C)(C)CN(CCC#N)C[C@H](O)CC1(C#N)CCC1 ZINC000886017257 646819171 /nfs/dbraw/zinc/81/91/71/646819171.db2.gz WCZIZJHMRRZTBO-CQSZACIVSA-N 0 1 277.412 2.693 20 30 CFEDMN CC[C@@](C)(NC[C@H](O)CC1(C#N)CCC1)c1nccs1 ZINC000886069307 646852762 /nfs/dbraw/zinc/85/27/62/646852762.db2.gz FULAQAGDGQWAKM-TZMCWYRMSA-N 0 1 293.436 2.803 20 30 CFEDMN N#CC1(C[C@@H](O)CN2CCc3c(F)cccc3C2)CCC1 ZINC000886086907 646861637 /nfs/dbraw/zinc/86/16/37/646861637.db2.gz NYWHNUZUWUAWOT-CQSZACIVSA-N 0 1 288.366 2.629 20 30 CFEDMN CCc1nc([C@@H](C)NC[C@H](O)CC2(C#N)CCC2)cs1 ZINC000886129731 646886880 /nfs/dbraw/zinc/88/68/80/646886880.db2.gz MGLMJXUODWRUHQ-VXGBXAGGSA-N 0 1 293.436 2.801 20 30 CFEDMN C#CC[C@H]1CCN(CC(=O)Nc2cc(C)ccc2C)C1 ZINC000886355325 646984678 /nfs/dbraw/zinc/98/46/78/646984678.db2.gz GLUHISNVIICAKC-HNNXBMFYSA-N 0 1 270.376 2.587 20 30 CFEDMN C#CC[C@H]1CCN(CC(=O)Nc2cc(C)cc(C)c2)C1 ZINC000886359501 646986977 /nfs/dbraw/zinc/98/69/77/646986977.db2.gz DFEQPOBYVNTUCH-HNNXBMFYSA-N 0 1 270.376 2.587 20 30 CFEDMN C#CC[C@@H]1CCN(CC(=O)Nc2ccc(SC)cc2)C1 ZINC000886361406 646987767 /nfs/dbraw/zinc/98/77/67/646987767.db2.gz GNPSTJZPRXMNRN-CYBMUJFWSA-N 0 1 288.416 2.692 20 30 CFEDMN C#CC[C@@H]1CCN(Cc2cccnc2C(F)(F)F)C1 ZINC000886365904 646989515 /nfs/dbraw/zinc/98/95/15/646989515.db2.gz RWOUGEAOWRZGGM-LLVKDONJSA-N 0 1 268.282 2.946 20 30 CFEDMN CC(C)[C@H](NCc1cc(C#N)ccc1F)c1cnn(C)c1 ZINC000886549850 647043673 /nfs/dbraw/zinc/04/36/73/647043673.db2.gz OHULILIUXCXYLQ-INIZCTEOSA-N 0 1 286.354 2.918 20 30 CFEDMN C=CCC1(O)CCN(CCC(=O)c2ccc(F)cc2)CC1 ZINC000886776585 647133931 /nfs/dbraw/zinc/13/39/31/647133931.db2.gz KGUJQGFLHVUUHX-UHFFFAOYSA-N 0 1 291.366 2.802 20 30 CFEDMN N#Cc1cc(F)ccc1CN1CC[C@H]([C@@H]2CCCO2)C1 ZINC000886833204 647156827 /nfs/dbraw/zinc/15/68/27/647156827.db2.gz UZJSEOHAUDDUOB-BBRMVZONSA-N 0 1 274.339 2.698 20 30 CFEDMN C#CCN(C(=O)c1cc(C)[nH]n1)[C@@H]1CCCc2ccccc21 ZINC000887234163 647244927 /nfs/dbraw/zinc/24/49/27/647244927.db2.gz NUJQUTVRPMREGA-QGZVFWFLSA-N 0 1 293.370 2.871 20 30 CFEDMN N#Cc1ccc(N2N=C3CCCCCC[C@@H]3C2=O)nc1 ZINC000887295174 647262745 /nfs/dbraw/zinc/26/27/45/647262745.db2.gz ZGBQOLVRZYYEQG-LBPRGKRZSA-N 0 1 268.320 2.626 20 30 CFEDMN C=CC[C@@H](Nc1cccc2c1CN(CCC)C2)C(=O)OC ZINC000887309303 647265133 /nfs/dbraw/zinc/26/51/33/647265133.db2.gz RVDWBYABCHIQEX-MRXNPFEDSA-N 0 1 288.391 2.942 20 30 CFEDMN C[C@@H](N[C@@H](C)CC(C)(C)C#N)c1nnc2ccccn21 ZINC000924588907 648002314 /nfs/dbraw/zinc/00/23/14/648002314.db2.gz MVIPKVQPRVNLTE-NWDGAFQWSA-N 0 1 271.368 2.708 20 30 CFEDMN CC[C@H]([NH2+][C@@H]1CCc2[nH]cnc2C1)c1cccc(C#N)c1[O-] ZINC000926450416 648492150 /nfs/dbraw/zinc/49/21/50/648492150.db2.gz MKSWIBPAMUXAFF-OCCSQVGLSA-N 0 1 296.374 2.585 20 30 CFEDMN C=CCC[C@@H](CO)N[C@@H]1COCc2cccc(Cl)c21 ZINC000926546859 648527492 /nfs/dbraw/zinc/52/74/92/648527492.db2.gz XPVCPMFOOPBQFZ-GXTWGEPZSA-N 0 1 281.783 2.828 20 30 CFEDMN CC(C)[C@H](N[C@@H](C)c1cc(C#N)ccn1)c1cnn(C)c1 ZINC000927067497 648695899 /nfs/dbraw/zinc/69/58/99/648695899.db2.gz RJWAYUAITQEJES-LRDDRELGSA-N 0 1 283.379 2.735 20 30 CFEDMN C[C@@H](CC(C)(C)C#N)NCc1nc2c(s1)COCC2 ZINC000927114912 648716710 /nfs/dbraw/zinc/71/67/10/648716710.db2.gz JMHKBJGNMJSBHQ-JTQLQIEISA-N 0 1 279.409 2.634 20 30 CFEDMN C[C@@H](NC1([C@H]2CCCCO2)CC1)c1cc(C#N)ccn1 ZINC000927159372 648731556 /nfs/dbraw/zinc/73/15/56/648731556.db2.gz NPDITRYIIZYODA-IUODEOHRSA-N 0 1 271.364 2.706 20 30 CFEDMN CCCCCc1cc(C(=O)N2CCC[C@@H](C#N)C2)n[nH]1 ZINC000928214446 648873716 /nfs/dbraw/zinc/87/37/16/648873716.db2.gz NYRMJTPIUCJIGQ-LBPRGKRZSA-N 0 1 274.368 2.518 20 30 CFEDMN C#CCN1CCC(NC(=O)[C@@H](CC)CC2CCCC2)CC1 ZINC000928654885 648938806 /nfs/dbraw/zinc/93/88/06/648938806.db2.gz GXEZNQPLNIFINT-INIZCTEOSA-N 0 1 290.451 2.807 20 30 CFEDMN C#CCN1CCC(NC(=O)c2cc(C(C)C)oc2C)CC1 ZINC000928653202 648938949 /nfs/dbraw/zinc/93/89/49/648938949.db2.gz DBPYSYQVULTEMT-UHFFFAOYSA-N 0 1 288.391 2.539 20 30 CFEDMN C#CCN1CCC(NC(=O)CC2CCCCCC2)CC1 ZINC000928655964 648939138 /nfs/dbraw/zinc/93/91/38/648939138.db2.gz GAEDJVMENIPTKW-UHFFFAOYSA-N 0 1 276.424 2.561 20 30 CFEDMN CCOC(=O)[C@@H]1CCCCN1CC1CCC(C#N)CC1 ZINC000929238069 649010790 /nfs/dbraw/zinc/01/07/90/649010790.db2.gz OHFDLHIFLGCGDX-NRXISQOPSA-N 0 1 278.396 2.734 20 30 CFEDMN CCC(=O)N1CCCN(Cc2c(C)cc(C#N)cc2C)CC1 ZINC000929318593 649030581 /nfs/dbraw/zinc/03/05/81/649030581.db2.gz KVSDADXAFYASGA-UHFFFAOYSA-N 0 1 299.418 2.619 20 30 CFEDMN CCCN(C[C@H](O)CC#N)[C@H](C)c1ccccc1OC ZINC000929381783 649042720 /nfs/dbraw/zinc/04/27/20/649042720.db2.gz CQMDDADZUNWEGN-ZIAGYGMSSA-N 0 1 276.380 2.743 20 30 CFEDMN N#Cc1cncc(CN2CC[C@H]2Cc2ccccc2)c1 ZINC000929816154 649129438 /nfs/dbraw/zinc/12/94/38/649129438.db2.gz UBCKKZOMTMMGRU-KRWDZBQOSA-N 0 1 263.344 2.770 20 30 CFEDMN N#CC1(CCCCN2CC(=O)N[C@@H]3CCCC[C@@H]32)CCC1 ZINC000929827677 649132627 /nfs/dbraw/zinc/13/26/27/649132627.db2.gz ACXCSKQVSFMTLU-CABCVRRESA-N 0 1 289.423 2.594 20 30 CFEDMN CCC[N@H+](Cc1cncc(C#N)c1)C[C@H]1CCCCO1 ZINC000929968484 649157733 /nfs/dbraw/zinc/15/77/33/649157733.db2.gz QGQBCBNKBNRETF-MRXNPFEDSA-N 0 1 273.380 2.734 20 30 CFEDMN C[C@@H](NC[C@H](O)CC#N)c1ccc(OCC2CC2)c(F)c1 ZINC000930233044 649211456 /nfs/dbraw/zinc/21/14/56/649211456.db2.gz LVOZWOMJWGXLGS-BXUZGUMPSA-N 0 1 292.354 2.540 20 30 CFEDMN C[N@@H+](Cc1cc(Cl)cc(C#N)c1)CC(C)(C)CO ZINC000930606758 649285473 /nfs/dbraw/zinc/28/54/73/649285473.db2.gz TWDBTBFUBIGWNT-UHFFFAOYSA-N 0 1 266.772 2.662 20 30 CFEDMN C[C@H](NCC1CCC(C#N)CC1)c1csnn1 ZINC000930725446 649315367 /nfs/dbraw/zinc/31/53/67/649315367.db2.gz CUFGEKZBUIOZFL-WHXUTIOJSA-N 0 1 250.371 2.519 20 30 CFEDMN C#Cc1ccc(NC(=O)CCN2CCC=C(Cl)C2)cc1 ZINC000930842252 649334023 /nfs/dbraw/zinc/33/40/23/649334023.db2.gz CBSXCUZLJDSWDB-UHFFFAOYSA-N 0 1 288.778 2.825 20 30 CFEDMN Cc1c2cccc(C)c2oc1CN(C)C[C@H](O)CC#N ZINC000930857626 649337145 /nfs/dbraw/zinc/33/71/45/649337145.db2.gz YJJCSGWHBLLYFR-CYBMUJFWSA-N 0 1 272.348 2.756 20 30 CFEDMN C[C@@H]1CN(Cc2cc(Cl)cc(C#N)c2)C[C@H](C)[C@H]1O ZINC000930994645 649361560 /nfs/dbraw/zinc/36/15/60/649361560.db2.gz AHSILGRYSJIYJS-HBYGRHMLSA-N 0 1 278.783 2.660 20 30 CFEDMN N#Cc1cncc(CN2CCC([C@@H]3CCCCO3)CC2)c1 ZINC000931026129 649367461 /nfs/dbraw/zinc/36/74/61/649367461.db2.gz QRPJFOIUBUBEQP-KRWDZBQOSA-N 0 1 285.391 2.734 20 30 CFEDMN C[C@H]1CCN(Cc2cc(Cl)cc(C#N)c2)C[C@@H]1CO ZINC000931101106 649380198 /nfs/dbraw/zinc/38/01/98/649380198.db2.gz VGLYPFCKHCPICI-SMDDNHRTSA-N 0 1 278.783 2.662 20 30 CFEDMN C#CC1(O)CCN([C@@H](C)c2ccccc2Cl)CC1 ZINC000931141998 649385408 /nfs/dbraw/zinc/38/54/08/649385408.db2.gz LBUICLDVPLLDHL-LBPRGKRZSA-N 0 1 263.768 2.861 20 30 CFEDMN COc1ccc([C@@H](NCc2cncc(C#N)c2)C2CC2)cn1 ZINC000931342280 649412551 /nfs/dbraw/zinc/41/25/51/649412551.db2.gz WLOIDNZLRARCML-KRWDZBQOSA-N 0 1 294.358 2.598 20 30 CFEDMN Cc1nc([C@H]2CCN(Cc3ccc(C)c(C#N)c3)C2)no1 ZINC000931936112 649515939 /nfs/dbraw/zinc/51/59/39/649515939.db2.gz LXFVZMRRLRLAJX-AWEZNQCLSA-N 0 1 282.347 2.548 20 30 CFEDMN Cc1nc([C@H]2CC[N@@H+](CCCCC(C)(C)C#N)C2)no1 ZINC000931936839 649516002 /nfs/dbraw/zinc/51/60/02/649516002.db2.gz GIWALHJYHMGBQD-ZDUSSCGKSA-N 0 1 276.384 2.887 20 30 CFEDMN Cn1ccc([C@@H]2CCCN(Cc3ccccc3C#N)C2)n1 ZINC000932136669 649547382 /nfs/dbraw/zinc/54/73/82/649547382.db2.gz PGXGCRDSMHGVTA-MRXNPFEDSA-N 0 1 280.375 2.671 20 30 CFEDMN CO[C@@H](CN1CCC[C@H](C#N)C1)C1CCCCC1 ZINC000932150959 649551504 /nfs/dbraw/zinc/55/15/04/649551504.db2.gz FPUOFEFAMOQFGT-HIFRSBDPSA-N 0 1 250.386 2.817 20 30 CFEDMN COC(C)(C)[C@H](C)NCc1ccc(F)cc1C#N ZINC000932368520 649585843 /nfs/dbraw/zinc/58/58/43/649585843.db2.gz GXRVIAKCBXKZPQ-JTQLQIEISA-N 0 1 250.317 2.600 20 30 CFEDMN C#CCN(Cc1cccnc1C(F)(F)F)C(C)C ZINC000932383669 649589796 /nfs/dbraw/zinc/58/97/96/649589796.db2.gz KHXROBXWHRUJSI-UHFFFAOYSA-N 0 1 256.271 2.944 20 30 CFEDMN C#CCN(CC[C@](C#N)(C(C)=O)c1ccccc1)C(C)C ZINC000932384734 649590022 /nfs/dbraw/zinc/59/00/22/649590022.db2.gz WVMGYCPMLHSPQA-SFHVURJKSA-N 0 1 282.387 2.771 20 30 CFEDMN C#CCN(Cc1cc(C)c(C(=O)OC)o1)C(C)(C)C ZINC000932465886 649606198 /nfs/dbraw/zinc/60/61/98/649606198.db2.gz PAWBOMRNHVSFLZ-UHFFFAOYSA-N 0 1 263.337 2.608 20 30 CFEDMN C=C(C)CCN1CCn2c(cnc2C(F)(F)F)C1 ZINC000932580516 649623125 /nfs/dbraw/zinc/62/31/25/649623125.db2.gz UWTKEVWYFWDJPD-UHFFFAOYSA-N 0 1 259.275 2.684 20 30 CFEDMN CCC#C[C@H](C)N1CC[C@@H](c2ncc(C(=O)OC)s2)C1 ZINC000932667339 649635037 /nfs/dbraw/zinc/63/50/37/649635037.db2.gz LZTOPPSYGXMQBN-NWDGAFQWSA-N 0 1 292.404 2.521 20 30 CFEDMN C=C(C)[C@H](CO)N[C@@H](C)c1cc(Cl)cc2c1OCC2 ZINC000933270551 649684383 /nfs/dbraw/zinc/68/43/83/649684383.db2.gz CYAUNAPYNBEWKE-HZMBPMFUSA-N 0 1 281.783 2.863 20 30 CFEDMN Cc1c[nH]nc1CN1CCC(c2ccc(C#N)cc2)CC1 ZINC000933606649 649705673 /nfs/dbraw/zinc/70/56/73/649705673.db2.gz LFPUQFRUYOMTRT-UHFFFAOYSA-N 0 1 280.375 2.969 20 30 CFEDMN C=CCCCN1CCO[C@H](c2ccc(C#N)cc2)C1 ZINC000933629574 649708559 /nfs/dbraw/zinc/70/85/59/649708559.db2.gz SMPGYDYBIOJFRK-INIZCTEOSA-N 0 1 256.349 2.898 20 30 CFEDMN N#Cc1cnccc1CN1CCCSC[C@@H]1C1CC1 ZINC000933918623 649733083 /nfs/dbraw/zinc/73/30/83/649733083.db2.gz VOGVMCFTVFHQMX-OAHLLOKOSA-N 0 1 273.405 2.671 20 30 CFEDMN CO[C@@H]1CC[C@@H]1N(C)CC#Cc1cccc(Cl)c1 ZINC000934104969 649749681 /nfs/dbraw/zinc/74/96/81/649749681.db2.gz LTWCRFHCXJOVAV-LSDHHAIUSA-N 0 1 263.768 2.801 20 30 CFEDMN C=CC[C@H]1CCN1Cc1cc(C(=O)OC)cs1 ZINC000934461317 649787950 /nfs/dbraw/zinc/78/79/50/649787950.db2.gz MDHYIYYGWBCOBX-NSHDSACASA-N 0 1 251.351 2.685 20 30 CFEDMN C=CC[C@H]1CCN1[C@@H](C)C(=O)Nc1ccc(OC)cc1 ZINC000934465992 649789095 /nfs/dbraw/zinc/78/90/95/649789095.db2.gz IQAVKOSVOXOCAY-JSGCOSHPSA-N 0 1 274.364 2.673 20 30 CFEDMN C=CC[C@H]1CCN1CC(=O)N(C)[C@H](C)c1ccc(F)cc1 ZINC000934470710 649790517 /nfs/dbraw/zinc/79/05/17/649790517.db2.gz DYYHXEUAWMOJEP-CJNGLKHVSA-N 0 1 290.382 2.996 20 30 CFEDMN C=CC[C@H]1CCN1[C@@H](C)C(=O)NCc1ccccc1C ZINC000934470678 649790637 /nfs/dbraw/zinc/79/06/37/649790637.db2.gz DUXNFCYYKUEUKD-HOCLYGCPSA-N 0 1 272.392 2.650 20 30 CFEDMN C=CC[C@@H]1CCN1CC(=O)N[C@@H]1CCCc2ccccc21 ZINC000934471847 649791051 /nfs/dbraw/zinc/79/10/51/649791051.db2.gz NGKUBKLWKLIRSW-NVXWUHKLSA-N 0 1 284.403 2.831 20 30 CFEDMN C=CC[C@@H]1CCN1CC(=O)N(C)Cc1ccccc1C ZINC000934472902 649791515 /nfs/dbraw/zinc/79/15/15/649791515.db2.gz RCFISXRITOUGKH-MRXNPFEDSA-N 0 1 272.392 2.604 20 30 CFEDMN C=C(C)c1cccc(NC(=O)NCc2n[nH]c(CC)n2)c1 ZINC000934884455 649847370 /nfs/dbraw/zinc/84/73/70/649847370.db2.gz UWCMGAHOHAOVMU-UHFFFAOYSA-N 0 1 285.351 2.722 20 30 CFEDMN C=CCN1CCC[C@@H](NC(=O)[C@H]2CCC(C)=C(C)C2)C1 ZINC001007397273 651133120 /nfs/dbraw/zinc/13/31/20/651133120.db2.gz BPCYPVNAMBCDKM-JKSUJKDBSA-N 0 1 276.424 2.890 20 30 CFEDMN C=C(C)CN1CCC[C@@H](NC(=O)c2cc3occc3[nH]2)C1 ZINC001007446371 651135074 /nfs/dbraw/zinc/13/50/74/651135074.db2.gz ZOKGUGORFREOST-GFCCVEGCSA-N 0 1 287.363 2.531 20 30 CFEDMN C=C(C)CN1CCC[C@@H](NC(=O)c2[nH]ccc2C2CC2)C1 ZINC001007472761 651135692 /nfs/dbraw/zinc/13/56/92/651135692.db2.gz DMDPPRZPBPFWTQ-CQSZACIVSA-N 0 1 287.407 2.662 20 30 CFEDMN C=CCN1CCC[C@H](NC(=O)[C@@H]2CCCc3ccccc32)C1 ZINC001007630788 651137126 /nfs/dbraw/zinc/13/71/26/651137126.db2.gz AXHMSRIILHZNBB-FUHWJXTLSA-N 0 1 298.430 2.873 20 30 CFEDMN C=C(C)CN1CCC[C@H](NC(=O)[C@@H]2CCCC23CC3)C1 ZINC001007619378 651137403 /nfs/dbraw/zinc/13/74/03/651137403.db2.gz RCUJSVAACWZNSE-GJZGRUSLSA-N 0 1 276.424 2.723 20 30 CFEDMN C#CCCN1CCC[C@H](NC(=O)c2cc(C)sc2C)C1 ZINC001007834451 651139042 /nfs/dbraw/zinc/13/90/42/651139042.db2.gz VUSSJUDSVKEKIV-AWEZNQCLSA-N 0 1 290.432 2.582 20 30 CFEDMN C=C(C)CN1CCC[C@@H](NC(=O)c2cc[nH]c2CCC)C1 ZINC001008254191 651145581 /nfs/dbraw/zinc/14/55/81/651145581.db2.gz ALIHSMQNPNBCEW-CQSZACIVSA-N 0 1 289.423 2.738 20 30 CFEDMN C=C(C)CN1CCC[C@@H](NC(=O)c2coc(C(F)F)c2)C1 ZINC001008317119 651146219 /nfs/dbraw/zinc/14/62/19/651146219.db2.gz NXLFZDGUYZUDQC-GFCCVEGCSA-N 0 1 298.333 2.988 20 30 CFEDMN C=C(C)CN1CCC[C@@H](NC(=O)[C@@H](C)c2ccco2)C1 ZINC001008515030 651149965 /nfs/dbraw/zinc/14/99/65/651149965.db2.gz YJBGHPYWIFEONM-UONOGXRCSA-N 0 1 276.380 2.540 20 30 CFEDMN C=CCN1CCC[C@H](NC(=O)C2CCC(F)(F)CC2)C1 ZINC001008655968 651151136 /nfs/dbraw/zinc/15/11/36/651151136.db2.gz BZXNDBUKSSGKGZ-ZDUSSCGKSA-N 0 1 286.366 2.579 20 30 CFEDMN C=C(C)CN1CCC[C@@H](NC(=O)c2ccncc2Cl)C1 ZINC001008642392 651151209 /nfs/dbraw/zinc/15/12/09/651151209.db2.gz YMJNKGUNCLCNBY-GFCCVEGCSA-N 0 1 293.798 2.505 20 30 CFEDMN C=C(C)CN1CCC[C@@H](NC(=O)C2Cc3ccccc3C2)C1 ZINC001008645692 651151550 /nfs/dbraw/zinc/15/15/50/651151550.db2.gz NDVNQJOQARYIMR-GOSISDBHSA-N 0 1 298.430 2.558 20 30 CFEDMN C=C(C)CN1CCC[C@@H](NC(=O)[C@@H](F)c2ccccc2)C1 ZINC001008698938 651153195 /nfs/dbraw/zinc/15/31/95/651153195.db2.gz ULYRSKQHPRYVPT-CVEARBPZSA-N 0 1 290.382 2.854 20 30 CFEDMN C=CCN1CCC[C@H](NC(=O)C23CCC(CC2)C3(C)C)C1 ZINC001008802058 651153620 /nfs/dbraw/zinc/15/36/20/651153620.db2.gz SFEBGTKNZXBCDG-CSLYMUCUSA-N 0 1 290.451 2.969 20 30 CFEDMN C=C(C)CN1CCC[C@H](NC(=O)[C@@H]2C[C@H]2C2CCC2)C1 ZINC001008819613 651154636 /nfs/dbraw/zinc/15/46/36/651154636.db2.gz LQKGLISNESNVCF-HRCADAONSA-N 0 1 276.424 2.579 20 30 CFEDMN C=C(C)CN1CCC[C@@H](NC(=O)c2ccc(Cl)cn2)C1 ZINC001009284800 651157652 /nfs/dbraw/zinc/15/76/52/651157652.db2.gz AOHITDSFNDQJSV-CYBMUJFWSA-N 0 1 293.798 2.505 20 30 CFEDMN C=CCN1CCC[C@@H](NC(=O)[C@@H](C)c2ccc(C)cc2)C1 ZINC001009259971 651158086 /nfs/dbraw/zinc/15/80/86/651158086.db2.gz LUFUGEVIRLYMHG-DOTOQJQBSA-N 0 1 286.419 2.865 20 30 CFEDMN C=CCN1CCC[C@@H](NC(=O)c2cc(C)cc(C)c2)C1 ZINC001009335185 651159097 /nfs/dbraw/zinc/15/90/97/651159097.db2.gz LZWVYMKZZDIYPH-MRXNPFEDSA-N 0 1 272.392 2.684 20 30 CFEDMN C=CCCN1CCC[C@H](NC(=O)c2scnc2Cl)C1 ZINC001009545705 651161688 /nfs/dbraw/zinc/16/16/88/651161688.db2.gz VMWJEZDGWMISSQ-JTQLQIEISA-N 0 1 299.827 2.567 20 30 CFEDMN C=CCN1CCC[C@H](NC(=O)[C@@H](C)c2cccc(F)c2)C1 ZINC001009587344 651161715 /nfs/dbraw/zinc/16/17/15/651161715.db2.gz NDASUDJRNYWKRV-BBRMVZONSA-N 0 1 290.382 2.696 20 30 CFEDMN C=C(C)CN1CCC[C@@H](NC(=O)c2cccn2C(C)C)C1 ZINC001009542413 651161840 /nfs/dbraw/zinc/16/18/40/651161840.db2.gz FDIVIHRFJAVKKM-OAHLLOKOSA-N 0 1 289.423 2.839 20 30 CFEDMN C=CCN1CCC[C@@H](NC(=O)C2(C)CCC(C)CC2)C1 ZINC001009691644 651163263 /nfs/dbraw/zinc/16/32/63/651163263.db2.gz OOXPAJDVQQYNJZ-ISXOHVOVSA-N 0 1 278.440 2.969 20 30 CFEDMN C=CCN1CCC[C@H](NC(=O)c2c[nH]c3ccc(C)cc23)C1 ZINC001009653685 651163694 /nfs/dbraw/zinc/16/36/94/651163694.db2.gz YVYGCFLHULZKLP-AWEZNQCLSA-N 0 1 297.402 2.857 20 30 CFEDMN C#CCCN1CC[C@@H](NC(=O)c2ccc(CCC)s2)C1 ZINC001014588073 651189393 /nfs/dbraw/zinc/18/93/93/651189393.db2.gz QTNPUPJYCCJTSD-CYBMUJFWSA-N 0 1 290.432 2.528 20 30 CFEDMN C=CCN1CC[C@H](NC(=O)c2cccc3c2CCCCC3)C1 ZINC001014844844 651192546 /nfs/dbraw/zinc/19/25/46/651192546.db2.gz KVSBEVBJTCKXHQ-INIZCTEOSA-N 0 1 298.430 2.946 20 30 CFEDMN C=C(C)CN1CC[C@@H](NC(=O)c2cc(C)sc2C)C1 ZINC001015140170 651196128 /nfs/dbraw/zinc/19/61/28/651196128.db2.gz QCEQUUBICWZQDU-CYBMUJFWSA-N 0 1 278.421 2.745 20 30 CFEDMN C=CCN1CC[C@H](NC(=O)c2ccccc2CCC)C1 ZINC001015209886 651197542 /nfs/dbraw/zinc/19/75/42/651197542.db2.gz WXTXSCJVVMYERT-HNNXBMFYSA-N 0 1 272.392 2.629 20 30 CFEDMN C=C(C)CN1CC[C@@H](NC(=O)c2ccc(F)c(C)c2)C1 ZINC001015632111 651206320 /nfs/dbraw/zinc/20/63/20/651206320.db2.gz RADZHXSCVQUCFU-CQSZACIVSA-N 0 1 276.355 2.514 20 30 CFEDMN C=CCN1CC[C@H](NC(=O)C2[C@@H]3CCCCCC[C@@H]23)C1 ZINC001015746703 651211149 /nfs/dbraw/zinc/21/11/49/651211149.db2.gz UBSHMNWKDYGXTO-RRFJBIMHSA-N 0 1 276.424 2.579 20 30 CFEDMN C=CCN1CC[C@@H](NC(=O)[C@H]2[C@@H]3CCCCCC[C@@H]32)C1 ZINC001015746704 651211222 /nfs/dbraw/zinc/21/12/22/651211222.db2.gz UBSHMNWKDYGXTO-WCVJEAGWSA-N 0 1 276.424 2.579 20 30 CFEDMN C=C(C)CN1CC[C@H](NC(=O)c2cccc(F)c2Cl)C1 ZINC001015752127 651211999 /nfs/dbraw/zinc/21/19/99/651211999.db2.gz BBVBXJDPEVFPRS-NSHDSACASA-N 0 1 296.773 2.859 20 30 CFEDMN C=C(C)CN1CC[C@@H](NC(=O)c2ccc3cccnc3c2)C1 ZINC001015870326 651216414 /nfs/dbraw/zinc/21/64/14/651216414.db2.gz BXHYUOYWCDTGQT-MRXNPFEDSA-N 0 1 295.386 2.615 20 30 CFEDMN CC#CCN1CC[C@H](NC(=O)c2cccc3ccsc32)C1 ZINC001015944829 651218919 /nfs/dbraw/zinc/21/89/19/651218919.db2.gz PJZPOIABXAZOHA-AWEZNQCLSA-N 0 1 298.411 2.729 20 30 CFEDMN C=C(C)CN1CC[C@@H](NC(=O)c2oc(CC)cc2C)C1 ZINC001016000083 651220032 /nfs/dbraw/zinc/22/00/32/651220032.db2.gz XGHRAICXICVOJA-CYBMUJFWSA-N 0 1 276.380 2.531 20 30 CFEDMN C#CCCN1CC[C@H](NC(=O)c2sccc2C(F)F)C1 ZINC001016132242 651225298 /nfs/dbraw/zinc/22/52/98/651225298.db2.gz YTSDVKWYIDXYPP-JTQLQIEISA-N 0 1 298.358 2.513 20 30 CFEDMN C=CCN1CC[C@@H](NC(=O)C[C@@H]2CCc3ccccc3C2)C1 ZINC001016101095 651225307 /nfs/dbraw/zinc/22/53/07/651225307.db2.gz NNKHRYVYWMMLMG-CRAIPNDOSA-N 0 1 298.430 2.558 20 30 CFEDMN C=C(C)CN1CC[C@H](NC(=O)C2(c3ccccc3C)CC2)C1 ZINC001016410016 651232738 /nfs/dbraw/zinc/23/27/38/651232738.db2.gz DZCIOKUCBOWKNA-INIZCTEOSA-N 0 1 298.430 2.793 20 30 CFEDMN C=C(C)CN1C[C@H]2CC[C@@H](C1)N2C(=O)/C=C(\C)C1CC1 ZINC001017388091 651251366 /nfs/dbraw/zinc/25/13/66/651251366.db2.gz XLFSUYZLYJPNPU-UKUVYACNSA-N 0 1 274.408 2.594 20 30 CFEDMN C=CCCN1C[C@H]2CC[C@@H](C1)N2C(=O)c1ccoc1Cl ZINC001017504207 651253325 /nfs/dbraw/zinc/25/33/25/651253325.db2.gz FMIMTWZRWVQUOJ-TXEJJXNPSA-N 0 1 294.782 2.798 20 30 CFEDMN C=CCCN1C[C@H]2CC[C@@H](C1)N2C(=O)c1ccsc1C ZINC001017537422 651253725 /nfs/dbraw/zinc/25/37/25/651253725.db2.gz CTVRVAVAFMPBDT-OKILXGFUSA-N 0 1 290.432 2.921 20 30 CFEDMN C#CCCN1C[C@H]2CC[C@@H](C1)N2C(=O)CC(C)(C)C1CC1 ZINC001017534514 651253814 /nfs/dbraw/zinc/25/38/14/651253814.db2.gz KLNPGMLFZYWOBE-IYBDPMFKSA-N 0 1 288.435 2.511 20 30 CFEDMN C=C(Cl)CN[C@H]1CCN(C(=O)CC2=CCCCC2)C1 ZINC001018622606 651273844 /nfs/dbraw/zinc/27/38/44/651273844.db2.gz UCTKESHPOXTSQN-AWEZNQCLSA-N 0 1 282.815 2.820 20 30 CFEDMN C=C(Cl)CN[C@H]1CCN(C(=O)C(F)=C2CCCC2)C1 ZINC001018710920 651275183 /nfs/dbraw/zinc/27/51/83/651275183.db2.gz BPSZVYYRNMMPFA-LBPRGKRZSA-N 0 1 286.778 2.727 20 30 CFEDMN C=C(Cl)CN[C@H]1CCN(C(=O)c2csc(C)c2C)C1 ZINC001018907387 651276686 /nfs/dbraw/zinc/27/66/86/651276686.db2.gz CIMHZDGKLIPMRI-LBPRGKRZSA-N 0 1 298.839 2.922 20 30 CFEDMN C=C(Cl)CN[C@H]1CCN(C(=O)CCc2ccsc2)C1 ZINC001018969033 651278028 /nfs/dbraw/zinc/27/80/28/651278028.db2.gz IPAQNDGKZUKEEV-ZDUSSCGKSA-N 0 1 298.839 2.624 20 30 CFEDMN CCC(C)(C)C(=O)N1CC[C@H](NCc2ccccc2C#N)C1 ZINC001019311539 651282750 /nfs/dbraw/zinc/28/27/50/651282750.db2.gz IHNAGISEWZSDDO-INIZCTEOSA-N 0 1 299.418 2.685 20 30 CFEDMN C=C(Cl)CN[C@H]1CCN(C(=O)[C@@H](C)c2ccc(C)o2)C1 ZINC001019480892 651286070 /nfs/dbraw/zinc/28/60/70/651286070.db2.gz LAFYSQGHEABXOE-STQMWFEESA-N 0 1 296.798 2.635 20 30 CFEDMN C=CCC[N@@H+]1CC[C@H]1CN(C)C(=O)[C@H]1C[C@@H]1c1ccccc1 ZINC001085859456 782191240 /nfs/dbraw/zinc/19/12/40/782191240.db2.gz ATPVJUUHUHRMOA-KSZLIROESA-N 0 1 298.430 2.899 20 30 CFEDMN C=CCN1CCN(c2cc(C)c3cc(OC)ccc3n2)CC1 ZINC001165031555 721866886 /nfs/dbraw/zinc/86/68/86/721866886.db2.gz NOQCYLBRTZWKFR-UHFFFAOYSA-N 0 1 297.402 2.860 20 30 CFEDMN C#CCCN1CC[C@H]1CN(C)C(=O)c1cccc(C(C)C)c1 ZINC001085908192 782198490 /nfs/dbraw/zinc/19/84/90/782198490.db2.gz BEYDVDNECHWNHF-SFHVURJKSA-N 0 1 298.430 2.980 20 30 CFEDMN C=C(C)CN1CC[C@@H]1CN(C)C(=O)[C@@H]1C[C@H]1c1ccccc1 ZINC001085930628 782205117 /nfs/dbraw/zinc/20/51/17/782205117.db2.gz BQFCMPSPKRUUNO-FGTMMUONSA-N 0 1 298.430 2.899 20 30 CFEDMN CC#CCN1CC([C@@H](C)NC(=O)[C@H](CC)CCCC)C1 ZINC001282690511 770090486 /nfs/dbraw/zinc/09/04/86/770090486.db2.gz UBYQRARAOODYMR-HUUCEWRRSA-N 0 1 278.440 2.663 20 30 CFEDMN CC#CCN(CC)CCNC(=O)[C@@H]1CCCC[C@H]1CC ZINC001266425712 770124507 /nfs/dbraw/zinc/12/45/07/770124507.db2.gz ZUKXQRFQWSVWGE-HZPDHXFCSA-N 0 1 278.440 2.664 20 30 CFEDMN C#CCN1CCC[C@H]1CNC(=O)[C@H](C)CCC(C)(C)C ZINC001266488906 770203030 /nfs/dbraw/zinc/20/30/30/770203030.db2.gz RXTLLCWTUHVWFW-CABCVRRESA-N 0 1 278.440 2.663 20 30 CFEDMN C#CCN1CC[C@H](NC(=O)C2CCC(C)(C)CC2)[C@H]1CC ZINC001087843021 777718932 /nfs/dbraw/zinc/71/89/32/777718932.db2.gz ZCVUZVNJSDSYSW-JKSUJKDBSA-N 0 1 290.451 2.805 20 30 CFEDMN C=C(C)CN1CC[C@H](N(CC)C(=O)c2occc2CC)C1 ZINC001033946733 780834209 /nfs/dbraw/zinc/83/42/09/780834209.db2.gz WRELWTLIIHCYMW-HNNXBMFYSA-N 0 1 290.407 2.955 20 30 CFEDMN C=C[C@@H](CC)CC(=O)NCCN(C)Cc1ccc(C#N)cc1 ZINC001266312096 769949471 /nfs/dbraw/zinc/94/94/71/769949471.db2.gz RKYLGHFLZFCKIJ-HNNXBMFYSA-N 0 1 299.418 2.709 20 30 CFEDMN C[C@@]1(F)CCN(CCc2ccc(C#N)cc2)C[C@H]1F ZINC001208921083 769965423 /nfs/dbraw/zinc/96/54/23/769965423.db2.gz XODQLXRWOIYFQP-HUUCEWRRSA-N 0 1 264.319 2.873 20 30 CFEDMN C=CCN1CC[C@@H](NC(=O)C/C=C\Cc2ccccc2)C1 ZINC001266325167 769965604 /nfs/dbraw/zinc/96/56/04/769965604.db2.gz KWHKYMKPLAPDMB-JTGQJZMRSA-N 0 1 284.403 2.552 20 30 CFEDMN CC#CCN1C[C@@H](C)[C@H](NC(=O)[C@@H](CCC)C(C)C)C1 ZINC001209037748 769985441 /nfs/dbraw/zinc/98/54/41/769985441.db2.gz CDLCMNFZXSXNME-OWCLPIDISA-N 0 1 278.440 2.519 20 30 CFEDMN C=C/C(C)=C\CC(=O)N1CCC[C@H](NCC(=C)Cl)C1 ZINC001209053929 769988038 /nfs/dbraw/zinc/98/80/38/769988038.db2.gz XYZIBBPQBLYLOC-VDBIKXPHSA-N 0 1 282.815 2.842 20 30 CFEDMN CC#CCN1CC[C@H](NC(=O)CC[C@@H](C)c2ccccc2)C1 ZINC001266344665 769993749 /nfs/dbraw/zinc/99/37/49/769993749.db2.gz KPLABAAELAJMRD-AEFFLSMTSA-N 0 1 298.430 2.784 20 30 CFEDMN C=CC(C)(C)CC(=O)N[C@H]1CC12CCN(CCF)CC2 ZINC001266370691 770041898 /nfs/dbraw/zinc/04/18/98/770041898.db2.gz JNGCXMFSNPNORQ-ZDUSSCGKSA-N 0 1 282.403 2.529 20 30 CFEDMN C=CCCCCCN1Cc2ncn(C)c2[C@H](COC)C1 ZINC001209422761 770075901 /nfs/dbraw/zinc/07/59/01/770075901.db2.gz HVRKVLITENUADG-AWEZNQCLSA-N 0 1 277.412 2.712 20 30 CFEDMN C=CC[N@@H+](CC)CCNC(=O)c1oc(C(F)F)cc1C ZINC001266396988 770079521 /nfs/dbraw/zinc/07/95/21/770079521.db2.gz QEZOMYONLDZTSO-UHFFFAOYSA-N 0 1 286.322 2.763 20 30 CFEDMN C=CCCCCCCCN1CCN(C(=O)N(C)C)CC1 ZINC001209438814 770089713 /nfs/dbraw/zinc/08/97/13/770089713.db2.gz WDNRHEZUJAODEV-UHFFFAOYSA-N 0 1 281.444 2.812 20 30 CFEDMN CC#CCN(CC)CCNC(=O)[C@@H]1C[C@H]1c1ccccc1C ZINC001266422449 770120922 /nfs/dbraw/zinc/12/09/22/770120922.db2.gz BYEWRMNQRDSDKD-ZWKOTPCHSA-N 0 1 298.430 2.560 20 30 CFEDMN C#Cc1ccc(Nc2nc[nH]c(=O)c2Br)cc1 ZINC001210116259 770212447 /nfs/dbraw/zinc/21/24/47/770212447.db2.gz KFWXRPPQTGYFDS-UHFFFAOYSA-N 0 1 290.120 2.670 20 30 CFEDMN CC#CCN(CCNC(=O)C1C[C@H](C)C[C@@H](C)C1)C1CC1 ZINC001266621528 770451800 /nfs/dbraw/zinc/45/18/00/770451800.db2.gz DTMAEVZQJUKJRI-HUUCEWRRSA-N 0 1 290.451 2.663 20 30 CFEDMN C=CCOC(=O)c1ccccc1Nc1cncn1C ZINC001211251956 770467034 /nfs/dbraw/zinc/46/70/34/770467034.db2.gz SEOVAXFTKDUZAB-UHFFFAOYSA-N 0 1 257.293 2.507 20 30 CFEDMN Cc1ccc2nc(N)n(-c3cc(C#N)cc([N+](=O)[O-])c3)c2c1 ZINC001211327383 770485234 /nfs/dbraw/zinc/48/52/34/770485234.db2.gz QBNMTRMVQWJWOL-UHFFFAOYSA-N 0 1 293.286 2.696 20 30 CFEDMN C=CC(C)(C)CC(=O)N1CCC[C@@H]2CN(CCF)CC[C@@H]21 ZINC001266658463 770491896 /nfs/dbraw/zinc/49/18/96/770491896.db2.gz DJABAKCIOVDIGJ-CABCVRRESA-N 0 1 296.430 2.871 20 30 CFEDMN N#Cc1ncc(F)cc1Nc1cc2[nH]ncc2c(F)c1 ZINC001215556038 770505168 /nfs/dbraw/zinc/50/51/68/770505168.db2.gz QUVGOOZVXSVSQC-UHFFFAOYSA-N 0 1 271.230 2.851 20 30 CFEDMN CC#CCN1CC[C@H]2CC[C@@H](C1)N2C(=O)C1CC(C)(C)C1 ZINC001039369812 770553204 /nfs/dbraw/zinc/55/32/04/770553204.db2.gz GVPNLROIVCNRFO-CVEARBPZSA-N 0 1 288.435 2.511 20 30 CFEDMN CCCC1(C(=O)NC[C@H](C)NCC#Cc2ccccc2)CC1 ZINC001266969582 770778440 /nfs/dbraw/zinc/77/84/40/770778440.db2.gz CCPJVNJKKIDAJZ-INIZCTEOSA-N 0 1 298.430 2.713 20 30 CFEDMN C=CCC(CC=C)C(=O)N1CC[C@H](NCC(=C)Cl)C1 ZINC001267011474 770805872 /nfs/dbraw/zinc/80/58/72/770805872.db2.gz QYNAKJVYHMXQSZ-AWEZNQCLSA-N 0 1 282.815 2.698 20 30 CFEDMN CC#CCN(C)CCNC(=O)c1ccc(C)c2ccccc12 ZINC001267219626 773219050 /nfs/dbraw/zinc/21/90/50/773219050.db2.gz WGDAQXFNYFINGT-UHFFFAOYSA-N 0 1 294.398 2.833 20 30 CFEDMN CC#CCN(C)CCNC(=O)[C@@H](CCC)c1ccccc1 ZINC001267229518 773230946 /nfs/dbraw/zinc/23/09/46/773230946.db2.gz PPBSITCEOSFIKN-KRWDZBQOSA-N 0 1 286.419 2.642 20 30 CFEDMN C#CCN(CC)CCNC(=O)c1cccc2ccccc21 ZINC001267255058 775106637 /nfs/dbraw/zinc/10/66/37/775106637.db2.gz PRGOHAZZXWBEKM-UHFFFAOYSA-N 0 1 280.371 2.525 20 30 CFEDMN CCN(Cc1ccccc1)Cc1cncc(C#N)c1 ZINC000721545191 775147745 /nfs/dbraw/zinc/14/77/45/775147745.db2.gz QWCASRDEWFDOLQ-UHFFFAOYSA-N 0 1 251.333 2.975 20 30 CFEDMN C=CCCCN1CC[C@@H]1CNC(=O)c1sc(C)nc1C ZINC001276970330 775179124 /nfs/dbraw/zinc/17/91/24/775179124.db2.gz PGZRCZJXMJFSHX-CYBMUJFWSA-N 0 1 293.436 2.530 20 30 CFEDMN C=C(C)CN1CC[C@H]1CNC(=O)[C@H](C)c1cccc(F)c1 ZINC001276977089 775207969 /nfs/dbraw/zinc/20/79/69/775207969.db2.gz GQRFCUWFKKCUKY-CJNGLKHVSA-N 0 1 290.382 2.696 20 30 CFEDMN C=C(C)[C@H]1CC=C(C)[C@@H](OCCN2CCN(C)CC2)C1 ZINC001224552950 775217293 /nfs/dbraw/zinc/21/72/93/775217293.db2.gz UTUFSWUHAFCTOJ-IRXDYDNUSA-N 0 1 278.440 2.551 20 30 CFEDMN C#CCN[C@@H](CNC(=O)C[C@@H](C)CC)c1ccccc1 ZINC001267358134 775244738 /nfs/dbraw/zinc/24/47/38/775244738.db2.gz XFLWVGQHFSXLMG-HOCLYGCPSA-N 0 1 272.392 2.503 20 30 CFEDMN C=C1O[C@H](C)C(=O)C1OCCCCO[C@@H]1CCCCO1 ZINC001224908790 775305773 /nfs/dbraw/zinc/30/57/73/775305773.db2.gz QJDQDUMTPJMXKL-DGCLKSJQSA-N 0 1 284.352 2.546 20 30 CFEDMN N#CC1(CO[C@H]2CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC001224952533 775315676 /nfs/dbraw/zinc/31/56/76/775315676.db2.gz MKIKFUYCTGHMJO-HNNXBMFYSA-N 0 1 256.349 2.581 20 30 CFEDMN C=C(Cl)CNCCN(C)C(=O)C1(C(F)F)CCCC1 ZINC001267420255 775318434 /nfs/dbraw/zinc/31/84/34/775318434.db2.gz WUBFWOUFHLVKNZ-UHFFFAOYSA-N 0 1 294.773 2.612 20 30 CFEDMN Cc1nc2cncc(NCCc3ccc(C#N)cc3)c2[nH]1 ZINC001167679178 775341975 /nfs/dbraw/zinc/34/19/75/775341975.db2.gz JOOBGDOOZUXFAN-UHFFFAOYSA-N 0 1 277.331 2.793 20 30 CFEDMN C=CCN1CC[C@@H](N(CCC)C(=O)[C@@H](C)C(C)C)C1 ZINC001267481627 775380252 /nfs/dbraw/zinc/38/02/52/775380252.db2.gz JNMDILDHHLVCHU-LSDHHAIUSA-N 0 1 266.429 2.777 20 30 CFEDMN C=CCN1CC[C@@H](N(CCC)C(=O)c2cc(C)[nH]c2C)C1 ZINC001267480820 775380727 /nfs/dbraw/zinc/38/07/27/775380727.db2.gz BAEREBISIZHHFY-OAHLLOKOSA-N 0 1 289.423 2.744 20 30 CFEDMN N#Cc1ccc(CN2CC[C@H]3OCC[C@@H]3C2)c(Cl)c1 ZINC000724830211 775405061 /nfs/dbraw/zinc/40/50/61/775405061.db2.gz KDGGHICUKJFTST-UKRRQHHQSA-N 0 1 276.767 2.822 20 30 CFEDMN C#CCN[C@@H](CNC(=O)C[C@H]1C=CCCC1)c1ccccc1 ZINC001267521625 775418093 /nfs/dbraw/zinc/41/80/93/775418093.db2.gz UQRDMFOKYQJDFG-WMZOPIPTSA-N 0 1 296.414 2.813 20 30 CFEDMN C#CCN[C@@H](CNC(=O)C[C@@H]1C=CCCC1)c1ccccc1 ZINC001267521620 775418169 /nfs/dbraw/zinc/41/81/69/775418169.db2.gz UQRDMFOKYQJDFG-AEFFLSMTSA-N 0 1 296.414 2.813 20 30 CFEDMN CC#CCN1CC[C@H](N(CCC)C(=O)C[C@H]2C=CCC2)C1 ZINC001267539773 775447484 /nfs/dbraw/zinc/44/74/84/775447484.db2.gz QCEAVSVTAVRHCO-IRXDYDNUSA-N 0 1 288.435 2.679 20 30 CFEDMN CC#CCN1C[C@@H]2CCN(C(=O)CCC3CCCC3)[C@@H]2C1 ZINC001075508931 775491183 /nfs/dbraw/zinc/49/11/83/775491183.db2.gz DZCUQMODKPLUGM-DLBZAZTESA-N 0 1 288.435 2.513 20 30 CFEDMN Cc1cc(C(C)(C)C)ccc1O[C@H]1CNC[C@@H]1C#N ZINC001218201723 775499152 /nfs/dbraw/zinc/49/91/52/775499152.db2.gz UMRWEUYCSNFEHF-WFASDCNBSA-N 0 1 258.365 2.783 20 30 CFEDMN N#Cc1ncccc1O[C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC001225670846 775551243 /nfs/dbraw/zinc/55/12/43/775551243.db2.gz OOSMUCJXLBIUOT-MRXNPFEDSA-N 0 1 293.370 2.997 20 30 CFEDMN C=C(Cl)CN1CCC[C@H]1[C@H]1CCCCN1C(=O)C1CC1 ZINC001025182580 775557482 /nfs/dbraw/zinc/55/74/82/775557482.db2.gz FTPOHMFZXVOIBR-LSDHHAIUSA-N 0 1 296.842 2.994 20 30 CFEDMN C=C(Cl)CN1CCC[C@H]1[C@H]1CCCCN1C(=O)CC ZINC001025186879 775559899 /nfs/dbraw/zinc/55/98/99/775559899.db2.gz ZSIXMDBEBCCKOB-UONOGXRCSA-N 0 1 284.831 2.994 20 30 CFEDMN CC#CC[N@@H+]1CCC[C@@H]1[C@@H]1CCCCN1C(=O)/C(C)=C/C ZINC001025215739 775571461 /nfs/dbraw/zinc/57/14/61/775571461.db2.gz CGKNHZOFQSBNCR-LKNSVJLYSA-N 0 1 288.435 2.821 20 30 CFEDMN C#CCN1CCC[C@@H]1[C@@H]1CCCCN1C(=O)C(F)=C(C)C ZINC001025214796 775571749 /nfs/dbraw/zinc/57/17/49/775571749.db2.gz FLGCQSRCLALVJD-CABCVRRESA-N 0 1 292.398 2.729 20 30 CFEDMN Cc1cc(N(C)C)nc(N[C@@H](C)c2cccc(C#N)c2)n1 ZINC001167707096 775573884 /nfs/dbraw/zinc/57/38/84/775573884.db2.gz CLQQORFLIMVKJJ-LBPRGKRZSA-N 0 1 281.363 2.896 20 30 CFEDMN CCN1CC[C@@H](Oc2ccc(C#N)cc2Cl)C1 ZINC001225726144 775573878 /nfs/dbraw/zinc/57/38/78/775573878.db2.gz AVWZNMUVQKQPMP-LLVKDONJSA-N 0 1 250.729 2.685 20 30 CFEDMN CCC[C@@H](C#Cc1ccccc1)Oc1[nH]c(=O)ncc1F ZINC001225884091 775624273 /nfs/dbraw/zinc/62/42/73/775624273.db2.gz FKEIWJONBFQDCN-ZDUSSCGKSA-N 0 1 286.306 2.921 20 30 CFEDMN C=C1O[C@H](CC)C(=O)C1Oc1ccc(OC)c(F)c1F ZINC001225958613 775647912 /nfs/dbraw/zinc/64/79/12/775647912.db2.gz ZOLUQLDIDCXDHK-MRVPVSSYSA-N 0 1 284.258 2.962 20 30 CFEDMN CCN1CCC[C@@H](Oc2ccc(C#N)c(F)c2F)C1 ZINC001226016872 775669109 /nfs/dbraw/zinc/66/91/09/775669109.db2.gz CVUZBICQNDJKHV-LLVKDONJSA-N 0 1 266.291 2.700 20 30 CFEDMN C=C1O[C@H](CC)C(=O)C1Oc1ccc(C#N)c(F)c1F ZINC001226021254 775671670 /nfs/dbraw/zinc/67/16/70/775671670.db2.gz YMHLRNSLYNOVKV-SECBINFHSA-N 0 1 279.242 2.825 20 30 CFEDMN Cc1cccc(CN2CCC[C@H](NC(=O)C#CC(C)C)C2)c1 ZINC001267624689 775711485 /nfs/dbraw/zinc/71/14/85/775711485.db2.gz LGNCNVARYJDOAE-SFHVURJKSA-N 0 1 298.430 2.735 20 30 CFEDMN C=CCC[C@@H](C)N1CC(NC(=O)CC(C)=C(C)C)C1 ZINC001267655338 775750408 /nfs/dbraw/zinc/75/04/08/775750408.db2.gz QYADUNILOIPILJ-CQSZACIVSA-N 0 1 264.413 2.888 20 30 CFEDMN C=CCC1(C(=O)NC2CN(CC3CC(C)(C)C3)C2)CCC1 ZINC001267658681 775757005 /nfs/dbraw/zinc/75/70/05/775757005.db2.gz IQFLVTVTWTVVOS-UHFFFAOYSA-N 0 1 290.451 2.969 20 30 CFEDMN C=C1CC(C)(C(=O)NCC2CN(Cc3ccc(C)cc3)C2)C1 ZINC001267692839 775781721 /nfs/dbraw/zinc/78/17/21/775781721.db2.gz MWOIHYJNUXYDBN-UHFFFAOYSA-N 0 1 298.430 2.899 20 30 CFEDMN C=C(C)CN1CC(CNC(=O)C[C@@H]2CCc3ccccc32)C1 ZINC001267694296 775784494 /nfs/dbraw/zinc/78/44/94/775784494.db2.gz ANHVRYNOUDMIST-KRWDZBQOSA-N 0 1 298.430 2.731 20 30 CFEDMN C=C(C)CN1CC(CNC(=O)Cc2sc(C)cc2C)C1 ZINC001267697752 775786765 /nfs/dbraw/zinc/78/67/65/775786765.db2.gz OZXQYPSSMBVJSC-UHFFFAOYSA-N 0 1 292.448 2.532 20 30 CFEDMN C=CCCCN1C[C@@H]2C[C@H]1CN2C(=O)c1cccs1 ZINC001267700764 775789866 /nfs/dbraw/zinc/78/98/66/775789866.db2.gz SONWAOQFCVKLAU-STQMWFEESA-N 0 1 276.405 2.613 20 30 CFEDMN C=CCCCN1C[C@@H]2C[C@H]1CN2C(=O)c1ccc(C)s1 ZINC001267700297 775790260 /nfs/dbraw/zinc/79/02/60/775790260.db2.gz MSGUIAPXVCMVFC-KBPBESRZSA-N 0 1 290.432 2.921 20 30 CFEDMN C=CCCCN1C[C@@H]2C[C@H]1CN2C(=O)c1sccc1C ZINC001267700033 775790663 /nfs/dbraw/zinc/79/06/63/775790663.db2.gz HPYMPEJJQXPGBM-KBPBESRZSA-N 0 1 290.432 2.921 20 30 CFEDMN COC1(C)CCN(Cc2cc(F)cc(C#N)c2)CC1 ZINC000311710613 775804512 /nfs/dbraw/zinc/80/45/12/775804512.db2.gz NPNNEGCWXWFNGR-UHFFFAOYSA-N 0 1 262.328 2.698 20 30 CFEDMN C=CCN1CC[C@H](NC(=O)CCc2ccc(Cl)s2)C1 ZINC001267734777 775830763 /nfs/dbraw/zinc/83/07/63/775830763.db2.gz YVDCZYQEAZJLAY-NSHDSACASA-N 0 1 298.839 2.711 20 30 CFEDMN C=C(C)C(=O)OC[C@@H](C)Oc1nc2ccc(C)cc2[nH]1 ZINC001226506725 775851587 /nfs/dbraw/zinc/85/15/87/775851587.db2.gz ROSMRYGVNGEFSL-LLVKDONJSA-N 0 1 274.320 2.758 20 30 CFEDMN C=CCCC(=O)NC1CCN(Cc2ccc(C#N)cc2)CC1 ZINC001226526918 775860598 /nfs/dbraw/zinc/86/05/98/775860598.db2.gz AQODAGJVTGSUTM-UHFFFAOYSA-N 0 1 297.402 2.605 20 30 CFEDMN C=CCN1CC[C@@H](NC(=O)CC(C)(C)c2ccccc2)C1 ZINC001267753979 775882890 /nfs/dbraw/zinc/88/28/90/775882890.db2.gz HRDIZHCWJRCVAX-MRXNPFEDSA-N 0 1 286.419 2.731 20 30 CFEDMN Cc1cc(C#N)cc(Cl)c1O[C@H]1CCCN(C)C1 ZINC001226594687 775885943 /nfs/dbraw/zinc/88/59/43/775885943.db2.gz BFXVLCADVSVRFR-LBPRGKRZSA-N 0 1 264.756 2.993 20 30 CFEDMN Cc1cc(C#N)cc(Cl)c1O[C@@H]1CCN(C)C1 ZINC001226596032 775887088 /nfs/dbraw/zinc/88/70/88/775887088.db2.gz UDRIEEHNTJCPOU-LLVKDONJSA-N 0 1 250.729 2.603 20 30 CFEDMN C=CC(C)(C)CC(=O)N(C)[C@@H]1CCN(C[C@@H](F)CC)C1 ZINC001267764461 775894320 /nfs/dbraw/zinc/89/43/20/775894320.db2.gz VNYWMYJBMFPPGO-UONOGXRCSA-N 0 1 284.419 2.870 20 30 CFEDMN C=CC[C@@H](C=C)Oc1ncnc2[nH]nc(Br)c21 ZINC001226667975 775912328 /nfs/dbraw/zinc/91/23/28/775912328.db2.gz CUWFHWMSNNVWLB-SSDOTTSWSA-N 0 1 295.140 2.625 20 30 CFEDMN C=C(C)CN1CC[C@@H](N(CC)C(=O)CSC(C)C)C1 ZINC001267780621 775924258 /nfs/dbraw/zinc/92/42/58/775924258.db2.gz RNMXYVMENOUMRC-CQSZACIVSA-N 0 1 284.469 2.627 20 30 CFEDMN C=CCN1CC[C@@H](N(CC)C(=O)[C@@H](C)c2ccsc2)C1 ZINC001267789394 775932584 /nfs/dbraw/zinc/93/25/84/775932584.db2.gz HMTMBSYOIJHWGL-DZGCQCFKSA-N 0 1 292.448 2.960 20 30 CFEDMN C#CCN1CC[C@H](N(CC)C(=O)CCC2CCCCC2)C1 ZINC001267790556 775933458 /nfs/dbraw/zinc/93/34/58/775933458.db2.gz RBOUAHNOQQPQFW-KRWDZBQOSA-N 0 1 290.451 2.903 20 30 CFEDMN C=C[C@@H](C#CC(C)(C)C)Oc1nc2[nH]cnc2c(=S)[nH]1 ZINC001226784817 775964097 /nfs/dbraw/zinc/96/40/97/775964097.db2.gz JIEYJDPWLKVKMW-VIFPVBQESA-N 0 1 288.376 2.625 20 30 CFEDMN C#C[C@H](CCCCC)Oc1n[nH]c(=O)cc1Br ZINC001226845177 775988273 /nfs/dbraw/zinc/98/82/73/775988273.db2.gz BFRZVQKSGGSFSV-SECBINFHSA-N 0 1 299.168 2.906 20 30 CFEDMN C=CC[C@H](Oc1n[nH]c(=O)cc1Br)C(C)C ZINC001226850819 775990380 /nfs/dbraw/zinc/99/03/80/775990380.db2.gz WXGWRIPYZKZUTL-VIFPVBQESA-N 0 1 287.157 2.924 20 30 CFEDMN C=C(C)CN1C[C@@H]2CCN(C(=O)c3ccc(Cl)o3)[C@@H]2C1 ZINC001075548718 775994186 /nfs/dbraw/zinc/99/41/86/775994186.db2.gz QTZBLYGSHQYRFU-NWDGAFQWSA-N 0 1 294.782 2.655 20 30 CFEDMN CCN1CCC[C@@H](Oc2ccc(C#N)cc2C(C)=O)C1 ZINC001226975050 776041831 /nfs/dbraw/zinc/04/18/31/776041831.db2.gz MMQUYKAXTKQQIN-CQSZACIVSA-N 0 1 272.348 2.624 20 30 CFEDMN C[C@@H](Oc1nc2ccc(C#N)cc2[nH]1)C1CCOCC1 ZINC001227216464 776141672 /nfs/dbraw/zinc/14/16/72/776141672.db2.gz TWSLBBKLYXFMPK-SNVBAGLBSA-N 0 1 271.320 2.628 20 30 CFEDMN C#C[C@H]1CCC[C@@H]1Oc1nc2ccc(C#N)cc2[nH]1 ZINC001227217764 776141865 /nfs/dbraw/zinc/14/18/65/776141865.db2.gz CXNQRNQRWXGXKQ-FZMZJTMJSA-N 0 1 251.289 2.615 20 30 CFEDMN CCOC(=O)[C@@H]1CC[C@@H](Oc2nc3ccc(C#N)cc3[nH]2)C1 ZINC001227219512 776142439 /nfs/dbraw/zinc/14/24/39/776142439.db2.gz LURIZVYPPSNACS-VXGBXAGGSA-N 0 1 299.330 2.545 20 30 CFEDMN N#Cc1ccc2nc(O[C@H]3CCc4cccnc43)[nH]c2c1 ZINC001227216535 776142500 /nfs/dbraw/zinc/14/25/00/776142500.db2.gz VROWIGYPNVICKL-AWEZNQCLSA-N 0 1 276.299 2.896 20 30 CFEDMN C=C1O[C@H](C)C(=O)C1Oc1nc2ccc(Cl)cc2[nH]1 ZINC001227261764 776161191 /nfs/dbraw/zinc/16/11/91/776161191.db2.gz GHJZGTLIVXGTLO-ZCFIWIBFSA-N 0 1 278.695 2.814 20 30 CFEDMN C#C[C@@H]1CCC[C@H]1Oc1[nH]c(=O)nc2ccc(C)cc21 ZINC001227347585 776181758 /nfs/dbraw/zinc/18/17/58/776181758.db2.gz RBLWMGIJGOWCGV-BXUZGUMPSA-N 0 1 268.316 2.825 20 30 CFEDMN C#C[C@H](Oc1[nH]c(=O)nc2ccc(C)cc21)C(C)C ZINC001227348015 776181935 /nfs/dbraw/zinc/18/19/35/776181935.db2.gz SWBZJIPPOKVFBE-ZDUSSCGKSA-N 0 1 256.305 2.680 20 30 CFEDMN Cc1nnc(=S)[nH]c1O[C@@H](CC#N)c1ccccc1 ZINC001227598607 776238192 /nfs/dbraw/zinc/23/81/92/776238192.db2.gz KZGFVPWVGOMECE-NSHDSACASA-N 0 1 272.333 2.503 20 30 CFEDMN N#CC[C@@H]1CCCN(C[C@H]2CC[C@H](C(F)(F)F)O2)C1 ZINC000721383273 776258431 /nfs/dbraw/zinc/25/84/31/776258431.db2.gz ZAQQGPJJMLEKMV-QJPTWQEYSA-N 0 1 276.302 2.722 20 30 CFEDMN C=CCC(CC=C)Oc1nc(=O)[nH]c2c1CO[C@H]2C ZINC001227713671 776267114 /nfs/dbraw/zinc/26/71/14/776267114.db2.gz PXIRGHJAWLCIFJ-VIFPVBQESA-N 0 1 262.309 2.673 20 30 CFEDMN C=CC[C@@H](CCC)Oc1nc(=O)[nH]c2c1CO[C@H]2C ZINC001227713831 776267202 /nfs/dbraw/zinc/26/72/02/776267202.db2.gz QUKHKKJXAGWMBD-UWVGGRQHSA-N 0 1 264.325 2.897 20 30 CFEDMN C=CCC[C@@H](C)N1CCO[C@H](CNC(=O)C(C)(C)CC)C1 ZINC001268028001 776321096 /nfs/dbraw/zinc/32/10/96/776321096.db2.gz XIBLPNYEVRSNGZ-HUUCEWRRSA-N 0 1 296.455 2.594 20 30 CFEDMN C=C[C@@H](C)Oc1[nH]c(=O)nc2cc(Cl)ccc21 ZINC001227990309 776352932 /nfs/dbraw/zinc/35/29/32/776352932.db2.gz JOSTZPLXGBZBHC-SSDOTTSWSA-N 0 1 250.685 2.942 20 30 CFEDMN C=CCCCCCCNC(=O)NC[C@@H]1CCN1CC ZINC001228040270 776373383 /nfs/dbraw/zinc/37/33/83/776373383.db2.gz FILOJMDNWSGLCN-AWEZNQCLSA-N 0 1 267.417 2.516 20 30 CFEDMN CC[N@H+]1CCC[C@H](Oc2cc(F)c(C#N)c(F)c2)C1 ZINC001228222795 776426007 /nfs/dbraw/zinc/42/60/07/776426007.db2.gz FKMRFFGGBSZQOS-JTQLQIEISA-N 0 1 266.291 2.700 20 30 CFEDMN C=C1O[C@H](CC)C(=O)C1Oc1ccc2nc(C)[nH]c2c1 ZINC001228329777 776463087 /nfs/dbraw/zinc/46/30/87/776463087.db2.gz QNVWMTJLLMGTIN-CYBMUJFWSA-N 0 1 272.304 2.860 20 30 CFEDMN C=CCN1CC[C@H](c2ccccc2)[C@H](NC(=O)C2(C)CC2)C1 ZINC001087428399 776491812 /nfs/dbraw/zinc/49/18/12/776491812.db2.gz CDHULBRQBYQUJK-IAGOWNOFSA-N 0 1 298.430 2.947 20 30 CFEDMN C=CCN1CCC[C@H]1CNC(=O)c1cccc(F)c1C ZINC001027892929 776495080 /nfs/dbraw/zinc/49/50/80/776495080.db2.gz HUGXSLBJTGFUSD-ZDUSSCGKSA-N 0 1 276.355 2.514 20 30 CFEDMN C=C(Cl)CNC[C@H](C)N(C)C(=O)CCCCC ZINC001268051463 776502609 /nfs/dbraw/zinc/50/26/09/776502609.db2.gz XRMAUMOXFBDDQM-LBPRGKRZSA-N 0 1 260.809 2.756 20 30 CFEDMN C=CCN1CCC[C@@H]1CNC(=O)c1sc(C)cc1C ZINC001027910073 776504626 /nfs/dbraw/zinc/50/46/26/776504626.db2.gz IBJAENISCZBTMA-CYBMUJFWSA-N 0 1 278.421 2.745 20 30 CFEDMN C=CC[C@@H](Oc1nc(Cl)nc2nc[nH]c21)C(C)C ZINC001228507371 776508781 /nfs/dbraw/zinc/50/87/81/776508781.db2.gz NNMJNZFJGHEPQW-MRVPVSSYSA-N 0 1 266.732 2.986 20 30 CFEDMN C=CCN1CCC[C@H]1CNC(=O)c1ccc2nc(C)oc2c1 ZINC001027949168 776523572 /nfs/dbraw/zinc/52/35/72/776523572.db2.gz QJGBZYDLXIELKY-AWEZNQCLSA-N 0 1 299.374 2.516 20 30 CFEDMN C=CC[C@@H](Oc1nc(C2CC2)[nH]c(=O)c1[N+](=O)[O-])C(C)C ZINC001228610441 776538339 /nfs/dbraw/zinc/53/83/39/776538339.db2.gz VMROCAFDHGJZHU-SNVBAGLBSA-N 0 1 293.323 2.947 20 30 CFEDMN C=C(C)CN1CCC[C@H]1CNC(=O)c1cc2cnccc2o1 ZINC001027998468 776547345 /nfs/dbraw/zinc/54/73/45/776547345.db2.gz NOANCGKHYBXEPY-AWEZNQCLSA-N 0 1 299.374 2.598 20 30 CFEDMN N#C[C@@H](Oc1ccc2[nH]nnc2c1)c1cccc(F)c1 ZINC001228662476 776557217 /nfs/dbraw/zinc/55/72/17/776557217.db2.gz IDDAYTNTTITXOP-CQSZACIVSA-N 0 1 268.251 2.741 20 30 CFEDMN C#CCN1CCC[C@H]1CNC(=O)c1cc(C)ccc1C1CC1 ZINC001028049764 776571782 /nfs/dbraw/zinc/57/17/82/776571782.db2.gz JZXSLUCUGJCPDG-INIZCTEOSA-N 0 1 296.414 2.700 20 30 CFEDMN N#Cc1cc2[nH]ccc2c(NCCN2CCSCC2)c1 ZINC001167838849 776591140 /nfs/dbraw/zinc/59/11/40/776591140.db2.gz IFZSGOQMVLPHPE-UHFFFAOYSA-N 0 1 286.404 2.500 20 30 CFEDMN C=C(Cl)CNC[C@H](CC(C)C)NC(=O)CCC ZINC001268101977 776599701 /nfs/dbraw/zinc/59/97/01/776599701.db2.gz NURGBGGTQYDGDW-LBPRGKRZSA-N 0 1 260.809 2.660 20 30 CFEDMN C=CCN1CCC[C@H]1CNC(=O)c1occc1C(C)C ZINC001028095196 776613129 /nfs/dbraw/zinc/61/31/29/776613129.db2.gz DVJNJFMXTHONPO-ZDUSSCGKSA-N 0 1 276.380 2.783 20 30 CFEDMN C=CCN1CCC[C@H]1CNC(=O)c1cnc2ccccc2c1 ZINC001028167030 776675516 /nfs/dbraw/zinc/67/55/16/776675516.db2.gz SGYBYURJUSEERK-INIZCTEOSA-N 0 1 295.386 2.615 20 30 CFEDMN CC#CCN1CCC[C@@H]1CNC(=O)c1ccsc1Cl ZINC001028184598 776685660 /nfs/dbraw/zinc/68/56/60/776685660.db2.gz MYZUJIAKTPVGDH-LLVKDONJSA-N 0 1 296.823 2.619 20 30 CFEDMN C=CCN1CCC[C@H]1CNC(=O)C12CCC(CC1)C2(C)C ZINC001028186585 776688720 /nfs/dbraw/zinc/68/87/20/776688720.db2.gz OGIPUTULYLPEGP-CSLYMUCUSA-N 0 1 290.451 2.969 20 30 CFEDMN CCC#C[C@H](C)Oc1[nH]c(=O)nc2cc(OC)ccc21 ZINC001229137175 776730830 /nfs/dbraw/zinc/73/08/30/776730830.db2.gz HIZUIGLLFKCULU-JTQLQIEISA-N 0 1 272.304 2.525 20 30 CFEDMN CN1CCC[C@H](Oc2cc(C#N)ccc2Cl)C1 ZINC001229247243 776764723 /nfs/dbraw/zinc/76/47/23/776764723.db2.gz CUJVSFCRXGJNSU-NSHDSACASA-N 0 1 250.729 2.685 20 30 CFEDMN C=CC[N@@H+]1CCC[C@@H]1CNC(=O)c1cc(CC(C)C)c[nH]1 ZINC001028265804 776774234 /nfs/dbraw/zinc/77/42/34/776774234.db2.gz KJULEAJPMAAZEE-OAHLLOKOSA-N 0 1 289.423 2.593 20 30 CFEDMN CC#CCN1CCC[C@H]1CNC(=O)c1ccccc1Cl ZINC001028275804 776787346 /nfs/dbraw/zinc/78/73/46/776787346.db2.gz CYSWGANHNJFRLH-ZDUSSCGKSA-N 0 1 290.794 2.558 20 30 CFEDMN C=CCN1CCC[C@@H]1CNC(=O)c1cc2nc(C)ccc2o1 ZINC001028279138 776794844 /nfs/dbraw/zinc/79/48/44/776794844.db2.gz WDRUHBXRURUOEX-CYBMUJFWSA-N 0 1 299.374 2.516 20 30 CFEDMN C=C[C@@H](CCCCC)Oc1nc(C)[nH]c(=O)c1[N+](=O)[O-] ZINC001229382396 776797006 /nfs/dbraw/zinc/79/70/06/776797006.db2.gz TWENXAHEVSDOFE-JTQLQIEISA-N 0 1 281.312 2.913 20 30 CFEDMN C=C[C@H](CC)CC(=O)NC1CN(CC(CC)CC)C1 ZINC001268437015 776806427 /nfs/dbraw/zinc/80/64/27/776806427.db2.gz GRBGPDIVLHUFBG-CYBMUJFWSA-N 0 1 266.429 2.825 20 30 CFEDMN Cc1nc2[nH]cnc2c(O[C@@H](CC#N)c2ccccc2)n1 ZINC001229438623 776811346 /nfs/dbraw/zinc/81/13/46/776811346.db2.gz QSNYSEOMWFLOIQ-LBPRGKRZSA-N 0 1 279.303 2.695 20 30 CFEDMN CC#CCN1CCC[C@H]1CNC(=O)c1cc(C)cc(C)c1 ZINC001028284034 776813852 /nfs/dbraw/zinc/81/38/52/776813852.db2.gz WWSWICAPFKQWHY-KRWDZBQOSA-N 0 1 284.403 2.521 20 30 CFEDMN CC#CCN1CCC[C@@H]1CNC(=O)c1cc(C)ccc1C ZINC001028285448 776821284 /nfs/dbraw/zinc/82/12/84/776821284.db2.gz YOIHIKZQWGIZCU-MRXNPFEDSA-N 0 1 284.403 2.521 20 30 CFEDMN C=CCN1CCC[C@H]1CNC(=O)c1cc(Cl)cn1CC ZINC001028322113 776856121 /nfs/dbraw/zinc/85/61/21/776856121.db2.gz XJILQWIDQBLVMA-ZDUSSCGKSA-N 0 1 295.814 2.542 20 30 CFEDMN CC#CCN1CCC[C@@H]1CNC(=O)c1ccc(C2CC2)cc1 ZINC001028329599 776859223 /nfs/dbraw/zinc/85/92/23/776859223.db2.gz OKUBCLBDAHHQIQ-GOSISDBHSA-N 0 1 296.414 2.782 20 30 CFEDMN CC#CCN1CCC(NC(=O)C(C)(C)CC(C)C)CC1 ZINC001229976472 776930453 /nfs/dbraw/zinc/93/04/53/776930453.db2.gz ISQAIDVSOZAXSE-UHFFFAOYSA-N 0 1 278.440 2.663 20 30 CFEDMN C=C(Cl)CNC/C=C/CNC(=O)[C@@H]1C[C@H]1C(C)(C)C ZINC001268568277 776937311 /nfs/dbraw/zinc/93/73/11/776937311.db2.gz XVQDQRQCXLBZKD-FBVTZJDUSA-N 0 1 284.831 2.683 20 30 CFEDMN C=C(Cl)CNC/C=C/CNC(=O)C1CCC2(CC2)CC1 ZINC001268568573 776938483 /nfs/dbraw/zinc/93/84/83/776938483.db2.gz UYCOXOLHBXINCG-NSCUHMNNSA-N 0 1 296.842 2.971 20 30 CFEDMN CCC1=C(Oc2cc3cn[nH]c3cc2C)C(=O)[C@@H](C)O1 ZINC001230222722 776960070 /nfs/dbraw/zinc/96/00/70/776960070.db2.gz IJGFCYIAZKXRSL-SECBINFHSA-N 0 1 272.304 2.860 20 30 CFEDMN CCC1=C(Oc2cc3cn[nH]c3cc2C)C(=O)[C@H](C)O1 ZINC001230222733 776960551 /nfs/dbraw/zinc/96/05/51/776960551.db2.gz IJGFCYIAZKXRSL-VIFPVBQESA-N 0 1 272.304 2.860 20 30 CFEDMN C=CCN1CC[C@@H]1CN(C)C(=O)CC1CCCCC1 ZINC001230682242 777042670 /nfs/dbraw/zinc/04/26/70/777042670.db2.gz UEBBBSZZSPOPET-OAHLLOKOSA-N 0 1 264.413 2.676 20 30 CFEDMN CC#CCN(C)C[C@@H](C)NC(=O)[C@](C)(CC)CCC ZINC001268753249 777046426 /nfs/dbraw/zinc/04/64/26/777046426.db2.gz UAXIODKGDBMEIW-GDBMZVCRSA-N 0 1 266.429 2.663 20 30 CFEDMN C#CCCN1CC[C@H]1CN(C)C(=O)[C@@H](CC)CCCC ZINC001230844371 777073998 /nfs/dbraw/zinc/07/39/98/777073998.db2.gz KFFMSPOWBCGDPU-HOTGVXAUSA-N 0 1 278.440 2.759 20 30 CFEDMN C=C[C@H](CC(=O)N1C[C@@H]2C[C@H]1CN2CC)c1ccccc1 ZINC001268988670 777085072 /nfs/dbraw/zinc/08/50/72/777085072.db2.gz TYFKSAXZNLQCHZ-PVAVHDDUSA-N 0 1 284.403 2.651 20 30 CFEDMN C=C(C)CCC(=O)N[C@H]1CCN(Cc2cccc(F)c2)C1 ZINC001269029712 777089091 /nfs/dbraw/zinc/08/90/91/777089091.db2.gz HLISICXDJJIRHX-INIZCTEOSA-N 0 1 290.382 2.873 20 30 CFEDMN C=C1O[C@@H](CC)C(=O)C1Oc1cccc(C(=O)OC)c1F ZINC001230975874 777107120 /nfs/dbraw/zinc/10/71/20/777107120.db2.gz UREZPVMRNVCLGW-JTQLQIEISA-N 0 1 294.278 2.601 20 30 CFEDMN C=C1O[C@@H](C)C(=O)C1Oc1ccc(Cl)c(OC)c1 ZINC001230981385 777109193 /nfs/dbraw/zinc/10/91/93/777109193.db2.gz NUSVJKITUHLLQV-ZETCQYMHSA-N 0 1 268.696 2.947 20 30 CFEDMN C=C[C@@H](C#CC(C)(C)C)Oc1nc(Cl)nc2[nH]ncc21 ZINC001231046954 777124796 /nfs/dbraw/zinc/12/47/96/777124796.db2.gz ABIYUJGJDBXJMU-VIFPVBQESA-N 0 1 290.754 2.989 20 30 CFEDMN C=CCCCN1CC[C@H]1CNC(=O)c1sccc1C ZINC001269188636 777135835 /nfs/dbraw/zinc/13/58/35/777135835.db2.gz IGILQKOUYPALDT-ZDUSSCGKSA-N 0 1 278.421 2.827 20 30 CFEDMN C/C=C(/C)C(=O)N(C)[C@H]1CCN(Cc2ccc(C#N)cc2)C1 ZINC001269227917 777145184 /nfs/dbraw/zinc/14/51/84/777145184.db2.gz UYUWAKGKHRRLJC-SHDIAVBESA-N 0 1 297.402 2.557 20 30 CFEDMN C=CCCC(=O)N(C)C[C@H]1CCN1Cc1ccccc1 ZINC001231122673 777148562 /nfs/dbraw/zinc/14/85/62/777148562.db2.gz MSKGJTMSMBAADY-MRXNPFEDSA-N 0 1 272.392 2.686 20 30 CFEDMN C=CCN1CC[C@@H]1CN(C)C(=O)C[C@@H](C)CCC ZINC001231132323 777151249 /nfs/dbraw/zinc/15/12/49/777151249.db2.gz SCDWUQMOBJQACQ-UONOGXRCSA-N 0 1 252.402 2.531 20 30 CFEDMN C=C(Cl)CN[C@@H](CC)CNC(=O)CCC(C)C ZINC001269365882 777179821 /nfs/dbraw/zinc/17/98/21/777179821.db2.gz FSHVAIBXQBOELK-LBPRGKRZSA-N 0 1 260.809 2.660 20 30 CFEDMN C=C(C)CN1CC[C@H]1CNC(=O)C[C@H](C)CC(C)C ZINC001269330862 777173017 /nfs/dbraw/zinc/17/30/17/777173017.db2.gz GIBPGHYYEUMDOX-CABCVRRESA-N 0 1 266.429 2.825 20 30 CFEDMN C#CCN1CC[C@H](N(CC)C(=O)C[C@@H](C)CC(C)C)C1 ZINC001269347592 777175575 /nfs/dbraw/zinc/17/55/75/777175575.db2.gz ACIYFLKUKCNDLF-HOTGVXAUSA-N 0 1 278.440 2.615 20 30 CFEDMN C#CCN1CC[C@@H](N(CC)C(=O)C[C@H](C)CC(C)C)C1 ZINC001269347593 777176152 /nfs/dbraw/zinc/17/61/52/777176152.db2.gz ACIYFLKUKCNDLF-HZPDHXFCSA-N 0 1 278.440 2.615 20 30 CFEDMN C=C(Cl)CN[C@H](CC)CNC(=O)CCC(C)C ZINC001269365881 777179776 /nfs/dbraw/zinc/17/97/76/777179776.db2.gz FSHVAIBXQBOELK-GFCCVEGCSA-N 0 1 260.809 2.660 20 30 CFEDMN CC[C@H](CNC(=O)C1CC=CC1)NCc1ccccc1C#N ZINC001269384654 777181629 /nfs/dbraw/zinc/18/16/29/777181629.db2.gz VYUYPLFHWYQIEJ-QGZVFWFLSA-N 0 1 297.402 2.509 20 30 CFEDMN CCC#C[C@H](C)Oc1[nH]c(=O)nc2c(OC)cccc21 ZINC001231348154 777198453 /nfs/dbraw/zinc/19/84/53/777198453.db2.gz DKDRATORRZFQBW-JTQLQIEISA-N 0 1 272.304 2.525 20 30 CFEDMN C#CCN(C)CCN(C(=O)[C@H]1CCC[C@@H](C)C1)C(C)C ZINC001284543869 777208659 /nfs/dbraw/zinc/20/86/59/777208659.db2.gz AOYARXGCTFURCY-CVEARBPZSA-N 0 1 278.440 2.615 20 30 CFEDMN C=C1CCC(C(=O)NC[C@@H]2CCN(C/C=C\Cl)C2)CC1 ZINC001028779253 777242447 /nfs/dbraw/zinc/24/24/47/777242447.db2.gz XNTAVHNERWVOFK-OLUUIJGHSA-N 0 1 296.842 2.923 20 30 CFEDMN CCCCCCCN1CC(N(C)C(=O)C[C@@H]2CCCO2)C1 ZINC001269754926 777243556 /nfs/dbraw/zinc/24/35/56/777243556.db2.gz GLKRMZQMWNNQEF-INIZCTEOSA-N 0 1 296.455 2.669 20 30 CFEDMN CC(C)Oc1ccc(CN2CCC(CC#N)CC2)cn1 ZINC001231535231 777255256 /nfs/dbraw/zinc/25/52/56/777255256.db2.gz FOBNSQFQPDEIEW-UHFFFAOYSA-N 0 1 273.380 2.994 20 30 CFEDMN N#CCC[N@H+](Cc1cc(C(=O)[O-])ccc1O)C1CCCC1 ZINC001231563377 777262163 /nfs/dbraw/zinc/26/21/63/777262163.db2.gz JAVWNOKFKNRXIX-UHFFFAOYSA-N 0 1 288.347 2.749 20 30 CFEDMN C=C1O[C@H](CC)C(=O)C1Oc1cnc(Cl)c(F)c1 ZINC001225790467 777280411 /nfs/dbraw/zinc/28/04/11/777280411.db2.gz LDUTUTAZDBFJKV-SECBINFHSA-N 0 1 271.675 2.862 20 30 CFEDMN C=C(Cl)CNC[C@@H]1CCCN1C(=O)/C=C(/C)CC ZINC001270041418 777294001 /nfs/dbraw/zinc/29/40/01/777294001.db2.gz AYXVNFHWCLSJAE-ZWXCPPHNSA-N 0 1 270.804 2.676 20 30 CFEDMN C=C(C)CCC(=O)N1CCC[C@@H]1CNCC(=C)Cl ZINC001270215527 777333563 /nfs/dbraw/zinc/33/35/63/777333563.db2.gz LKLICBQUJSVRCB-CYBMUJFWSA-N 0 1 270.804 2.676 20 30 CFEDMN C=CCN1CCN(Cc2ccccc2SC)CC1 ZINC001231785097 777335256 /nfs/dbraw/zinc/33/52/56/777335256.db2.gz UVFPRPMCLUMCDX-UHFFFAOYSA-N 0 1 262.422 2.712 20 30 CFEDMN C#CCN1CCC(C)(NC(=O)C[C@@H]2CCCC[C@H]2C)CC1 ZINC001270266842 777345334 /nfs/dbraw/zinc/34/53/34/777345334.db2.gz ROBXUKOJGLHLOF-CVEARBPZSA-N 0 1 290.451 2.807 20 30 CFEDMN N#Cc1ccc(CN2CCC[C@@H](CO)CC2)cc1Cl ZINC001232111231 777443155 /nfs/dbraw/zinc/44/31/55/777443155.db2.gz CQXWCWOSYKBESX-GFCCVEGCSA-N 0 1 278.783 2.806 20 30 CFEDMN C[C@H]1CC[C@@H](CO)CN1Cc1ccc(C#N)c(Cl)c1 ZINC001232111964 777444446 /nfs/dbraw/zinc/44/44/46/777444446.db2.gz MSOAGIZNHBQZON-WCQYABFASA-N 0 1 278.783 2.804 20 30 CFEDMN N#C[C@@H]1CCCN(Cc2cnc(-c3cccnc3)o2)CC1 ZINC001232134086 777448660 /nfs/dbraw/zinc/44/86/60/777448660.db2.gz UYRZROZYPIEKIQ-CYBMUJFWSA-N 0 1 282.347 2.862 20 30 CFEDMN C#CCCCCCC(=O)N(C)C1CN(CC2CCC2)C1 ZINC001277637548 777496373 /nfs/dbraw/zinc/49/63/73/777496373.db2.gz YJZREZBILFLKKH-UHFFFAOYSA-N 0 1 276.424 2.513 20 30 CFEDMN CCOc1ncc(CN2CCC(S)CC2)cc1C ZINC001232305561 777512522 /nfs/dbraw/zinc/51/25/22/777512522.db2.gz HSPNFYLOPZJJQJ-UHFFFAOYSA-N 0 1 266.410 2.683 20 30 CFEDMN C=CCN(Cc1ccccc1)Cc1ccc(N)nc1 ZINC001232368833 777537078 /nfs/dbraw/zinc/53/70/78/777537078.db2.gz COOCJIIQEUSTOM-UHFFFAOYSA-N 0 1 253.349 2.852 20 30 CFEDMN C#CCN1CC[C@H](NC(=O)C2CCCCCC2)[C@H]1CC ZINC001087519618 777578653 /nfs/dbraw/zinc/57/86/53/777578653.db2.gz VRCHUIWMOBSSQS-JKSUJKDBSA-N 0 1 276.424 2.559 20 30 CFEDMN C=CCCCN1CC(N(C)C(=O)c2ccc3c(c2)CCC3)C1 ZINC001277691882 777624082 /nfs/dbraw/zinc/62/40/82/777624082.db2.gz WQLPTNWEMOIRFS-UHFFFAOYSA-N 0 1 298.430 2.898 20 30 CFEDMN N#Cc1ccc([O-])c(C[N@H+]2CCC(=O)[C@H]3CCCC[C@@H]32)c1 ZINC001232673186 777636289 /nfs/dbraw/zinc/63/62/89/777636289.db2.gz BUFGKMLTCSTNLS-GJZGRUSLSA-N 0 1 284.359 2.597 20 30 CFEDMN N#Cc1ccc([O-])c(C[N@H+]2CCC(=O)[C@H]3CCCC[C@H]32)c1 ZINC001232673188 777636405 /nfs/dbraw/zinc/63/64/05/777636405.db2.gz BUFGKMLTCSTNLS-LSDHHAIUSA-N 0 1 284.359 2.597 20 30 CFEDMN C[C@H]1CCN(Cc2cc(C#N)ccc2O)CC1(F)F ZINC001232673492 777636437 /nfs/dbraw/zinc/63/64/37/777636437.db2.gz IAMPYOURROIGCA-JTQLQIEISA-N 0 1 266.291 2.741 20 30 CFEDMN N#Cc1ccc(O)c(CN2CC[C@@H](CF)C(F)(F)C2)c1 ZINC001232674000 777638078 /nfs/dbraw/zinc/63/80/78/777638078.db2.gz PLQNHPYPBPATPM-LBPRGKRZSA-N 0 1 284.281 2.691 20 30 CFEDMN N#Cc1ccc([O-])c(C[N@H+]2CCO[C@@H](c3ccccc3)C2)c1 ZINC001232678257 777638107 /nfs/dbraw/zinc/63/81/07/777638107.db2.gz RZRFNCRJLNBOSN-GOSISDBHSA-N 0 1 294.354 2.837 20 30 CFEDMN N#Cc1ccc([O-])c(C[NH+]2CC(Oc3ccccc3)C2)c1 ZINC001232679173 777640017 /nfs/dbraw/zinc/64/00/17/777640017.db2.gz FRXABOZHIXKIFP-UHFFFAOYSA-N 0 1 280.327 2.527 20 30 CFEDMN N#Cc1ccc(O)c(CN2CC(Oc3ccccc3)C2)c1 ZINC001232679173 777640020 /nfs/dbraw/zinc/64/00/20/777640020.db2.gz FRXABOZHIXKIFP-UHFFFAOYSA-N 0 1 280.327 2.527 20 30 CFEDMN N#Cc1ccc([O-])c(C[N@H+]2CCOC3(CCCCC3)C2)c1 ZINC001232678782 777640100 /nfs/dbraw/zinc/64/01/00/777640100.db2.gz PPHISRDZBJVMGB-UHFFFAOYSA-N 0 1 286.375 2.799 20 30 CFEDMN C#CCN1CC[C@H](NC(=O)c2ccc3occc3c2)[C@H]1CC ZINC001087581995 777663623 /nfs/dbraw/zinc/66/36/23/777663623.db2.gz NFXHHOVCXFGIQA-JKSUJKDBSA-N 0 1 296.370 2.649 20 30 CFEDMN C#C[C@@H](CCCC)Oc1n[nH]c(=O)cc1Br ZINC001226848476 777672855 /nfs/dbraw/zinc/67/28/55/777672855.db2.gz CWJGFWNNBQIDNG-QMMMGPOBSA-N 0 1 285.141 2.516 20 30 CFEDMN COc1cc(O)cc(CN2CCC[C@@H](CC#N)C2)c1 ZINC001232803561 777675215 /nfs/dbraw/zinc/67/52/15/777675215.db2.gz NPIRKXMSIPUKNA-LBPRGKRZSA-N 0 1 260.337 2.526 20 30 CFEDMN COc1cc(O)cc(CN2CCC(CC#N)CC2)c1 ZINC001232803559 777675544 /nfs/dbraw/zinc/67/55/44/777675544.db2.gz NMTKVMSMRFJLAY-UHFFFAOYSA-N 0 1 260.337 2.526 20 30 CFEDMN COc1cc(O)cc(CN2[C@@H]3CC[C@H]2C[C@H](C#N)C3)c1 ZINC001232805207 777677593 /nfs/dbraw/zinc/67/75/93/777677593.db2.gz YDCIQQCEYWDZSG-DEZZGGKRSA-N 0 1 272.348 2.667 20 30 CFEDMN CC#CCN1CC[C@H](NC(=O)[C@@H]2CCCC2(C)C)[C@H]1CC ZINC001087691861 777679808 /nfs/dbraw/zinc/67/98/08/777679808.db2.gz WSYXMWLDRVEZEM-HRCADAONSA-N 0 1 290.451 2.805 20 30 CFEDMN C#CCN1CC[C@H](NC(=O)c2cc(C)c(C)s2)[C@H]1CC ZINC001087821877 777708564 /nfs/dbraw/zinc/70/85/64/777708564.db2.gz KHYCKMKLAAAIJI-UONOGXRCSA-N 0 1 290.432 2.581 20 30 CFEDMN CC#CC[C@H](CC)Oc1[nH]c(=O)nc2ccccc21 ZINC001226977125 777715913 /nfs/dbraw/zinc/71/59/13/777715913.db2.gz MYJCEYULUDINOE-NSHDSACASA-N 0 1 256.305 2.906 20 30 CFEDMN Cc1ccc(CN2CCC[C@](O)(CF)CC2)c(C#N)c1 ZINC001232961754 777739807 /nfs/dbraw/zinc/73/98/07/777739807.db2.gz DXYRCHNCRBFNFJ-MRXNPFEDSA-N 0 1 276.355 2.553 20 30 CFEDMN Cc1ccc(CN2CCC[C@@]3(CCOC3)C2)c(C#N)c1 ZINC001232963759 777740653 /nfs/dbraw/zinc/74/06/53/777740653.db2.gz LPIJFLBYBNWTJA-QGZVFWFLSA-N 0 1 270.376 2.869 20 30 CFEDMN Cc1ccc(CN2CCC[C@](C)(O)CC2)c(C#N)c1 ZINC001232963196 777740924 /nfs/dbraw/zinc/74/09/24/777740924.db2.gz ZGKZETIALCBARM-INIZCTEOSA-N 0 1 258.365 2.604 20 30 CFEDMN C#CCN(Cc1ccc(N(C)CCC#N)cc1)C1CSC1 ZINC000895814443 777746195 /nfs/dbraw/zinc/74/61/95/777746195.db2.gz QZPKQTPNCCSRAY-UHFFFAOYSA-N 0 1 299.443 2.587 20 30 CFEDMN CC1(C#N)CN(Cc2c(O)cc(Br)cc2F)C1 ZINC001233027797 777769852 /nfs/dbraw/zinc/76/98/52/777769852.db2.gz ZNKYZRAYPPXBJB-UHFFFAOYSA-N 0 1 299.143 2.639 20 30 CFEDMN C[C@@H](C#N)N(C)Cc1c(O)cc(Br)cc1F ZINC001233029187 777770602 /nfs/dbraw/zinc/77/06/02/777770602.db2.gz AVYCUVUBGLMOGH-ZETCQYMHSA-N 0 1 287.132 2.638 20 30 CFEDMN COc1ccc([C@H]2CCN(Cc3[nH]ccc3C#N)C2)cc1 ZINC001233047491 777776109 /nfs/dbraw/zinc/77/61/09/777776109.db2.gz BPJOTVQWEOVASZ-HNNXBMFYSA-N 0 1 281.359 2.884 20 30 CFEDMN COc1ccc([C@@H]2CCN(Cc3[nH]ccc3C#N)C2)cc1 ZINC001233047492 777776127 /nfs/dbraw/zinc/77/61/27/777776127.db2.gz BPJOTVQWEOVASZ-OAHLLOKOSA-N 0 1 281.359 2.884 20 30 CFEDMN N#Cc1cc[nH]c1CN1CCCC2(CC(F)C2)CC1 ZINC001233047795 777776138 /nfs/dbraw/zinc/77/61/38/777776138.db2.gz LENZRUHLDQXQSB-UHFFFAOYSA-N 0 1 261.344 2.991 20 30 CFEDMN N#C[C@H]1CCCCN1Cc1ccc(F)c(F)c1O ZINC001233078023 777789472 /nfs/dbraw/zinc/78/94/72/777789472.db2.gz CWBHDTMJCOHSJX-SNVBAGLBSA-N 0 1 252.264 2.548 20 30 CFEDMN CN(C)c1ccc(CN2CCC(CF)CC2)c(F)c1C#N ZINC001233100404 777795604 /nfs/dbraw/zinc/79/56/04/777795604.db2.gz HWBZMYRYZGXQRT-UHFFFAOYSA-N 0 1 293.361 2.945 20 30 CFEDMN C=CCN(CC=C)Cc1ccc(O)c2[nH]c(=O)ccc12 ZINC001233294340 777872623 /nfs/dbraw/zinc/87/26/23/777872623.db2.gz GTAJDEGMJZREHF-UHFFFAOYSA-N 0 1 270.332 2.820 20 30 CFEDMN N#Cc1ccc(C[N@H+]2CCC[C@H](C(F)F)C2)c([O-])c1 ZINC001233386354 777926346 /nfs/dbraw/zinc/92/63/46/777926346.db2.gz QIUCWTSGSYPMLB-LBPRGKRZSA-N 0 1 266.291 2.741 20 30 CFEDMN C[C@]1(F)CCC[N@@H+](Cc2ccc(C#N)cc2[O-])CC1 ZINC001233383504 777927237 /nfs/dbraw/zinc/92/72/37/777927237.db2.gz KLUDLPBACKLRKA-HNNXBMFYSA-N 0 1 262.328 2.978 20 30 CFEDMN N#Cc1ccc(CN2CC[NH+](CC3CCCC3)CC2)c([O-])c1 ZINC001233386225 777927399 /nfs/dbraw/zinc/92/73/99/777927399.db2.gz KRRPSFSTILFVRX-UHFFFAOYSA-N 0 1 299.418 2.572 20 30 CFEDMN COC(C)(C)[C@H]1CCC[N@H+]1Cc1ccc(C#N)cc1[O-] ZINC001233386556 777929204 /nfs/dbraw/zinc/92/92/04/777929204.db2.gz YLUCVKPLZPQEPV-OAHLLOKOSA-N 0 1 274.364 2.653 20 30 CFEDMN C#C[C@@H](Oc1n[nH]c(=O)cc1Cl)c1ccccc1 ZINC001233587783 777999055 /nfs/dbraw/zinc/99/90/55/777999055.db2.gz ZPQCKPYUBMWLCN-LLVKDONJSA-N 0 1 260.680 2.589 20 30 CFEDMN C#C[C@H](Oc1n[nH]c(=O)cc1Cl)c1ccccc1 ZINC001233587784 777999157 /nfs/dbraw/zinc/99/91/57/777999157.db2.gz ZPQCKPYUBMWLCN-NSHDSACASA-N 0 1 260.680 2.589 20 30 CFEDMN C#Cc1ccc(O[C@@H]2CC[N@H+]([C@H](C)c3ccccn3)C2)nc1 ZINC001233966328 778125718 /nfs/dbraw/zinc/12/57/18/778125718.db2.gz VEDGWZPITSMDMR-GDBMZVCRSA-N 0 1 293.370 2.672 20 30 CFEDMN C#Cc1ccc(O[C@@H]2CCN([C@H](C)c3ccccn3)C2)nc1 ZINC001233966328 778125722 /nfs/dbraw/zinc/12/57/22/778125722.db2.gz VEDGWZPITSMDMR-GDBMZVCRSA-N 0 1 293.370 2.672 20 30 CFEDMN C#C[C@H]1CCC[C@@H]1Oc1nc2cccc(C(=O)OC)c2[n-]1 ZINC001234043964 778151210 /nfs/dbraw/zinc/15/12/10/778151210.db2.gz HEVVDHKPBYQLJZ-GWCFXTLKSA-N 0 1 284.315 2.530 20 30 CFEDMN C#C[C@H]1CCC[C@@H]1Oc1nc2cccc(C(=O)OC)c2[nH]1 ZINC001234043964 778151212 /nfs/dbraw/zinc/15/12/12/778151212.db2.gz HEVVDHKPBYQLJZ-GWCFXTLKSA-N 0 1 284.315 2.530 20 30 CFEDMN C=C(Cl)CN[C@H]1CCN(C(=O)c2c(C)coc2C)[C@H]1C ZINC000986233093 778159678 /nfs/dbraw/zinc/15/96/78/778159678.db2.gz UBOXMTNQJUUZCV-AAEUAGOBSA-N 0 1 296.798 2.842 20 30 CFEDMN CC1(CC(=O)NCCNCc2ccccc2C#N)CCCC1 ZINC001126646904 778171888 /nfs/dbraw/zinc/17/18/88/778171888.db2.gz OMDXJDWLGBQNGL-UHFFFAOYSA-N 0 1 299.418 2.734 20 30 CFEDMN C=C1O[C@H](CC)C(=O)C1Oc1ccc(F)c(F)c1OC ZINC001234201748 778185042 /nfs/dbraw/zinc/18/50/42/778185042.db2.gz XMBQCYIPEIEEIK-SECBINFHSA-N 0 1 284.258 2.962 20 30 CFEDMN C=C1O[C@@H](CC)C(=O)C1Oc1ccc(F)c(F)c1OC ZINC001234201749 778185500 /nfs/dbraw/zinc/18/55/00/778185500.db2.gz XMBQCYIPEIEEIK-VIFPVBQESA-N 0 1 284.258 2.962 20 30 CFEDMN C=CCN1CC[C@@H]1CN(C)C(=O)C[C@@H]1C[C@H]1c1ccccc1 ZINC001234385456 778216676 /nfs/dbraw/zinc/21/66/76/778216676.db2.gz NVVQSQCPAVYNNH-KSZLIROESA-N 0 1 298.430 2.899 20 30 CFEDMN C=CC[C@@H](C=C)Oc1[nH]c(=O)nc2cccc(C#N)c21 ZINC001234514448 778241041 /nfs/dbraw/zinc/24/10/41/778241041.db2.gz VPBAGCONBVOXLA-LLVKDONJSA-N 0 1 267.288 2.717 20 30 CFEDMN CO[C@H]1CCCC[C@@H]1Oc1[nH]c(=O)nc2ccc(C#N)cc21 ZINC001234519751 778242652 /nfs/dbraw/zinc/24/26/52/778242652.db2.gz LSSBELPBJFUYDS-KBPBESRZSA-N 0 1 299.330 2.543 20 30 CFEDMN C=C(C)CN1CC[C@H]1CN(C)C(=O)CC(C)(C)CC ZINC001234529467 778245279 /nfs/dbraw/zinc/24/52/79/778245279.db2.gz ZCTIQLULRWJQJO-AWEZNQCLSA-N 0 1 266.429 2.922 20 30 CFEDMN N#Cc1ccc2nc(=O)[nH]c(OC3CCCCC3)c2c1 ZINC001234531190 778246494 /nfs/dbraw/zinc/24/64/94/778246494.db2.gz UMJXYFHPQGUWQU-UHFFFAOYSA-N 0 1 269.304 2.919 20 30 CFEDMN C=CCC[C@@H](C)[N@H+]1CC[C@@H]1CN(C)C(=O)c1ccns1 ZINC001234604373 778262547 /nfs/dbraw/zinc/26/25/47/778262547.db2.gz OYBRLLYXMAMWFD-CHWSQXEVSA-N 0 1 293.436 2.644 20 30 CFEDMN C=CCC[C@@H](C)N1CC[C@@H]1CN(C)C(=O)c1ccns1 ZINC001234604373 778262551 /nfs/dbraw/zinc/26/25/51/778262551.db2.gz OYBRLLYXMAMWFD-CHWSQXEVSA-N 0 1 293.436 2.644 20 30 CFEDMN C=C(C)CCC(=O)N(C)C[C@H]1CCN1CC=C(C)C ZINC001234614152 778265527 /nfs/dbraw/zinc/26/55/27/778265527.db2.gz NSWVBVLKUAUARE-OAHLLOKOSA-N 0 1 264.413 2.842 20 30 CFEDMN C=C1O[C@@H](C)C(=O)C1Oc1cc(Cl)cc(C(=O)OC)c1 ZINC001234624222 778268676 /nfs/dbraw/zinc/26/86/76/778268676.db2.gz XWVHOICSDDKGSI-ZETCQYMHSA-N 0 1 296.706 2.725 20 30 CFEDMN C=C[C@H](Oc1nc(F)nc2nc[nH]c21)c1ccccc1 ZINC001234691093 778288612 /nfs/dbraw/zinc/28/86/12/778288612.db2.gz DUFLRADFIOHGHG-JTQLQIEISA-N 0 1 270.267 2.798 20 30 CFEDMN C[N@H+]1C[C@H]2CCC[C@@H](C1)[C@@H]2Oc1ccccc1C=N[O-] ZINC001234823494 778303631 /nfs/dbraw/zinc/30/36/31/778303631.db2.gz ANAGECHRNUGLMU-MIFYACCESA-N 0 1 274.364 2.604 20 30 CFEDMN C[N@@H+]1C[C@H]2CCC[C@@H](C1)[C@@H]2Oc1ccccc1C=N[O-] ZINC001234823494 778303639 /nfs/dbraw/zinc/30/36/39/778303639.db2.gz ANAGECHRNUGLMU-MIFYACCESA-N 0 1 274.364 2.604 20 30 CFEDMN C=C(C)C[C@H](Oc1nc(C)nc2[nH]cnc21)C(=C)C ZINC001229438210 778305288 /nfs/dbraw/zinc/30/52/88/778305288.db2.gz DPQSBZHKDHSJOE-NSHDSACASA-N 0 1 258.325 2.951 20 30 CFEDMN C#CCN(C)CCN(C)C(=O)C[C@@H]1C[C@H](C)CC(C)(C)C1 ZINC001272138407 778362098 /nfs/dbraw/zinc/36/20/98/778362098.db2.gz VBLBVVKHOULRMN-HOTGVXAUSA-N 0 1 292.467 2.862 20 30 CFEDMN CC#CCN1CC[C@H](NC(=O)C2(C)CCCCCC2)[C@H]1C ZINC001088628486 778371277 /nfs/dbraw/zinc/37/12/77/778371277.db2.gz VLJSDVCUFNOMKH-CVEARBPZSA-N 0 1 290.451 2.949 20 30 CFEDMN CC#CCN1CC[C@H](NC(=O)[C@@H]2CCC=CCCC2)[C@H]1C ZINC001088657193 778378681 /nfs/dbraw/zinc/37/86/81/778378681.db2.gz WEXKMXKFWJXTPH-ZACQAIPSSA-N 0 1 288.435 2.725 20 30 CFEDMN C=CCN1CCCN(C(=O)[C@@H](C)c2cccc(F)c2)CC1 ZINC000989697472 778423396 /nfs/dbraw/zinc/42/33/96/778423396.db2.gz VOHKQFXFJRYQSM-AWEZNQCLSA-N 0 1 290.382 2.650 20 30 CFEDMN C=CCN(C)Cc1cnc2cc(Br)ccn12 ZINC001235287199 778443712 /nfs/dbraw/zinc/44/37/12/778443712.db2.gz ZJRJMKONOSFMPK-UHFFFAOYSA-N 0 1 280.169 2.715 20 30 CFEDMN CCOc1cc(O)cc(CN2CCC[C@H](C#N)CC2)c1 ZINC001235410450 778479615 /nfs/dbraw/zinc/47/96/15/778479615.db2.gz QTRIUSWTSZRVRZ-ZDUSSCGKSA-N 0 1 274.364 2.917 20 30 CFEDMN N#CCc1ccccc1C[N@H+]1CCc2cnccc2C1 ZINC001235513024 778509014 /nfs/dbraw/zinc/50/90/14/778509014.db2.gz YNOMHWJYPDXECG-UHFFFAOYSA-N 0 1 263.344 2.706 20 30 CFEDMN N#CCc1ccccc1CN1CCc2cnccc2C1 ZINC001235513024 778509018 /nfs/dbraw/zinc/50/90/18/778509018.db2.gz YNOMHWJYPDXECG-UHFFFAOYSA-N 0 1 263.344 2.706 20 30 CFEDMN C[C@H](NCCNC(=O)C#CC1CC1)c1ccccc1Cl ZINC001126885291 778516722 /nfs/dbraw/zinc/51/67/22/778516722.db2.gz DXHKIVXYSFTMFW-LBPRGKRZSA-N 0 1 290.794 2.520 20 30 CFEDMN CN1CCN(c2ccc(-c3cccc(CC#N)c3)cn2)CC1 ZINC001235972522 778634230 /nfs/dbraw/zinc/63/42/30/778634230.db2.gz IWXSJXUNPCQKRM-UHFFFAOYSA-N 0 1 292.386 2.566 20 30 CFEDMN COc1ccc(-c2nccc3[nH]cc(C#N)c32)c2c[nH]nc21 ZINC001236454568 778833631 /nfs/dbraw/zinc/83/36/31/778833631.db2.gz JXGBZFXSCMKFIE-UHFFFAOYSA-N 0 1 289.298 2.986 20 30 CFEDMN COc1ccc(C#N)cc1-c1cc2[nH]nnc2cc1F ZINC001236542866 778871497 /nfs/dbraw/zinc/87/14/97/778871497.db2.gz LVFJJFJBVGZCIV-UHFFFAOYSA-N 0 1 268.251 2.644 20 30 CFEDMN CC#CCN1CC(C)(C)CC[C@H]1CNC(=O)[C@H](C)C1CC1 ZINC001099002088 778894970 /nfs/dbraw/zinc/89/49/70/778894970.db2.gz ZXTNOOXFBKMUKI-ZBFHGGJFSA-N 0 1 290.451 2.663 20 30 CFEDMN N#CC(C(=O)[C@@H]1CC=CCC1)c1nnc2n1CCCCC2 ZINC000060851577 778896950 /nfs/dbraw/zinc/89/69/50/778896950.db2.gz DMUZBKUENUMLOL-CHWSQXEVSA-N 0 1 284.363 2.537 20 30 CFEDMN CCOc1ccc(CN2CCC[C@@H](CC#N)C2)c(C)n1 ZINC001232313460 778923056 /nfs/dbraw/zinc/92/30/56/778923056.db2.gz ZKFVCTFUDIBXMN-AWEZNQCLSA-N 0 1 273.380 2.914 20 30 CFEDMN C=CC[N@@H+]1CC[C@H](NC(=O)c2csc(Cl)c2)[C@H]1C ZINC001088898773 778941275 /nfs/dbraw/zinc/94/12/75/778941275.db2.gz UTRCNELVCZILCO-KOLCDFICSA-N 0 1 284.812 2.780 20 30 CFEDMN C=CCN1CC[C@H](NC(=O)c2csc(Cl)c2)[C@H]1C ZINC001088898773 778941279 /nfs/dbraw/zinc/94/12/79/778941279.db2.gz UTRCNELVCZILCO-KOLCDFICSA-N 0 1 284.812 2.780 20 30 CFEDMN C[C@]1(F)CC[N@@H+](Cc2cc(C#N)ccc2[O-])C[C@@H]1F ZINC001232673773 778961458 /nfs/dbraw/zinc/96/14/58/778961458.db2.gz NAMYITXJQCNLIG-KBPBESRZSA-N 0 1 266.291 2.536 20 30 CFEDMN N#Cc1ccc([O-])c(C[N@H+]2CCCC(F)(F)CC2)c1 ZINC001232674318 778962946 /nfs/dbraw/zinc/96/29/46/778962946.db2.gz WENDYLMMNDJSHS-UHFFFAOYSA-N 0 1 266.291 2.885 20 30 CFEDMN CC#CCN1CC[C@H](NC(=O)[C@@H](C)c2ccc(C)cc2)[C@H]1C ZINC001088989016 778968503 /nfs/dbraw/zinc/96/85/03/778968503.db2.gz CHKMSJBMFDRCMX-JZXOWHBKSA-N 0 1 298.430 2.701 20 30 CFEDMN C[C@@H]1[C@@H](NC(=O)C(C)(C)C)CCN1Cc1cccc(C#N)c1 ZINC001088996614 778970553 /nfs/dbraw/zinc/97/05/53/778970553.db2.gz AQBMBDHFGANNRA-CJNGLKHVSA-N 0 1 299.418 2.683 20 30 CFEDMN C=CCN1CC[C@H](NC(=O)C(C)(C)c2ccccc2)[C@H]1C ZINC001089025753 778976531 /nfs/dbraw/zinc/97/65/31/778976531.db2.gz XTICXEAAHWOTJP-ZBFHGGJFSA-N 0 1 286.419 2.729 20 30 CFEDMN C=CCN1CC[C@H](NC(=O)[C@@]2(C)CC=C(C)CC2)[C@H]1C ZINC001089054409 778982650 /nfs/dbraw/zinc/98/26/50/778982650.db2.gz OHJIABFGFXCLTO-VYDXJSESSA-N 0 1 276.424 2.888 20 30 CFEDMN C=CCC[C@H]1CCCN1C(=O)c1ccc2[nH]nnc2c1 ZINC001120813461 778983899 /nfs/dbraw/zinc/98/38/99/778983899.db2.gz DWMLLOKEVDYGQI-LBPRGKRZSA-N 0 1 270.336 2.529 20 30 CFEDMN N#C[C@@H]1CCN(Cc2c(O)cc(Br)cc2F)C1 ZINC001233032158 779008979 /nfs/dbraw/zinc/00/89/79/779008979.db2.gz VLARUZQLKWEZFO-QMMMGPOBSA-N 0 1 299.143 2.639 20 30 CFEDMN C=C1CC(C)(C(=O)NC2CN(CCC(C)(C)C)C2)C1 ZINC001030924809 779105350 /nfs/dbraw/zinc/10/53/50/779105350.db2.gz YIZFWWQLAQVIGC-UHFFFAOYSA-N 0 1 264.413 2.579 20 30 CFEDMN CCn1c(C)cc(C(=O)Nc2cc(C#N)ccc2O)c1C ZINC000176404012 779124391 /nfs/dbraw/zinc/12/43/91/779124391.db2.gz FCCUUOZLETXOQY-UHFFFAOYSA-N 0 1 283.331 2.954 20 30 CFEDMN C#CCN1CCN(Cc2cccc3c(F)cccc23)CC1 ZINC001237517295 779125252 /nfs/dbraw/zinc/12/52/52/779125252.db2.gz FMCNHGRSKDRRKA-UHFFFAOYSA-N 0 1 282.362 2.730 20 30 CFEDMN C=CCCCN1CC[C@H]1CN(C)C(=O)c1sccc1F ZINC001234060067 779129502 /nfs/dbraw/zinc/12/95/02/779129502.db2.gz QCMPUCIZJMSHIQ-LBPRGKRZSA-N 0 1 296.411 3.000 20 30 CFEDMN CC[C@H]1CCCCN1Cc1cn2cc(C#N)ccc2n1 ZINC001237606808 779139906 /nfs/dbraw/zinc/13/99/06/779139906.db2.gz OPDYTSQSHQKAFH-HNNXBMFYSA-N 0 1 268.364 2.970 20 30 CFEDMN C[C@@H]1CCC[C@@H](C)N1Cc1cn2cc(C#N)ccc2n1 ZINC001237603062 779140504 /nfs/dbraw/zinc/14/05/04/779140504.db2.gz GLTFDAJSPYIOPD-CHWSQXEVSA-N 0 1 268.364 2.969 20 30 CFEDMN N#Cc1ccc2nc(CN3CC[C@H]4CCC[C@H]4C3)cn2c1 ZINC001237603530 779140839 /nfs/dbraw/zinc/14/08/39/779140839.db2.gz CJEMIKVFPVKDEN-CABCVRRESA-N 0 1 280.375 2.828 20 30 CFEDMN C=C1O[C@@H](CC)C(=O)C1Oc1cc(OC)ncc1Cl ZINC001234218915 779160209 /nfs/dbraw/zinc/16/02/09/779160209.db2.gz ZMFUUTAAJMTPGW-VIFPVBQESA-N 0 1 283.711 2.732 20 30 CFEDMN C[C@@H]1CN(Cc2cc(Cl)cc(C#N)c2)CC[C@@]1(C)O ZINC001237746350 779172834 /nfs/dbraw/zinc/17/28/34/779172834.db2.gz LPEBXKMFDLADLU-IAQYHMDHSA-N 0 1 278.783 2.804 20 30 CFEDMN COC1CCN(Cc2cc(Cl)cc(C#N)c2)CC1 ZINC001237747355 779173258 /nfs/dbraw/zinc/17/32/58/779173258.db2.gz UYVMOEUHBXXVND-UHFFFAOYSA-N 0 1 264.756 2.822 20 30 CFEDMN N#Cc1cc(Cl)cc(CN2CC[C@@H]3OCC[C@H]3C2)c1 ZINC001237753972 779175333 /nfs/dbraw/zinc/17/53/33/779175333.db2.gz QVWNFMIXOLHJEV-ZFWWWQNUSA-N 0 1 276.767 2.822 20 30 CFEDMN N#C[C@@H]1CCCN(Cc2cc(F)cc(Cl)c2O)C1 ZINC001237798321 779180622 /nfs/dbraw/zinc/18/06/22/779180622.db2.gz DQJWDTOJSBTYCW-VIFPVBQESA-N 0 1 268.719 2.920 20 30 CFEDMN Cc1cccc(NC(=O)C(C#N)C(=O)[C@@H](C)C2CC2)c1 ZINC000176530025 779217591 /nfs/dbraw/zinc/21/75/91/779217591.db2.gz XRACNPFUVSXPTR-FZMZJTMJSA-N 0 1 270.332 2.689 20 30 CFEDMN C=CCCCC(=O)C(C#N)C(=O)NC1CCCCC1 ZINC000176529614 779217730 /nfs/dbraw/zinc/21/77/30/779217730.db2.gz VFGHNPDFVJCINB-ZDUSSCGKSA-N 0 1 262.353 2.500 20 30 CFEDMN C=CCCCC(=O)NC[C@H]1CCC(C)(C)CN1CC#CC ZINC001099202380 779241335 /nfs/dbraw/zinc/24/13/35/779241335.db2.gz BLFQIISWYSKXQF-MRXNPFEDSA-N 0 1 290.451 2.973 20 30 CFEDMN N#Cc1ccc(CN2CC[C@@H](O)[C@H](F)CC2)c(Cl)c1 ZINC001238080363 779247882 /nfs/dbraw/zinc/24/78/82/779247882.db2.gz OQOLSADEFRXYSR-ZIAGYGMSSA-N 0 1 282.746 2.506 20 30 CFEDMN Cc1cc(C(=O)[O-])ccc1C[N@H+]1CCC[C@@H](CC#N)C1 ZINC001238149935 779264083 /nfs/dbraw/zinc/26/40/83/779264083.db2.gz SLWVDFGSXNUYEC-ZDUSSCGKSA-N 0 1 272.348 2.819 20 30 CFEDMN N#Cc1cc(CN2CCC[C@H](O)CC2)ccc1Cl ZINC001238189831 779274875 /nfs/dbraw/zinc/27/48/75/779274875.db2.gz XKPZEJVMBMPJCV-ZDUSSCGKSA-N 0 1 264.756 2.558 20 30 CFEDMN C[C@H]1CC[C@@H](CO)CN1Cc1ccc(Cl)c(C#N)c1 ZINC001238190035 779275055 /nfs/dbraw/zinc/27/50/55/779275055.db2.gz ZYVPOOMBCWOZDZ-WCQYABFASA-N 0 1 278.783 2.804 20 30 CFEDMN COc1cc(CN2CC[C@H]3CCCO[C@H]3C2)ccc1C#N ZINC001238410567 779307445 /nfs/dbraw/zinc/30/74/45/779307445.db2.gz RWCQDCHOLTUWJL-PBHICJAKSA-N 0 1 286.375 2.568 20 30 CFEDMN C#CCC[C@@H](C)OC(=O)c1ccc2cncn2c1C ZINC001122971937 779320968 /nfs/dbraw/zinc/32/09/68/779320968.db2.gz OTNNJXDPUALWFC-LLVKDONJSA-N 0 1 256.305 2.601 20 30 CFEDMN CC#CCN1CC[C@](C)(NC(=O)[C@H]2CC[C@H](CC)CC2)C1 ZINC001046788559 779372550 /nfs/dbraw/zinc/37/25/50/779372550.db2.gz DVJOKZHJLHFTQI-BQFCYCMXSA-N 0 1 290.451 2.807 20 30 CFEDMN C=C(C)CN1CCC(F)(F)[C@@H](CNC(=O)c2ccco2)C1 ZINC001046901936 779401561 /nfs/dbraw/zinc/40/15/61/779401561.db2.gz LDYOZVCNHAKZQK-LBPRGKRZSA-N 0 1 298.333 2.543 20 30 CFEDMN N#CC1(c2ccc(Nc3ccnc(CO)c3)cc2)CC1 ZINC001212249866 779522054 /nfs/dbraw/zinc/52/20/54/779522054.db2.gz QZCJVFQHCYFETJ-UHFFFAOYSA-N 0 1 265.316 2.873 20 30 CFEDMN C#CCN1CC(C)(C)CC[C@@H]1CNC(=O)c1cccc(C)c1 ZINC001089600171 779538461 /nfs/dbraw/zinc/53/84/61/779538461.db2.gz BQONRZDRRUOUHT-QGZVFWFLSA-N 0 1 298.430 2.849 20 30 CFEDMN C=CCN1CC(C)(C)CC[C@H]1CNC(=O)c1occc1C ZINC001089609172 779543939 /nfs/dbraw/zinc/54/39/39/779543939.db2.gz HLLDKFGGNLGLKU-AWEZNQCLSA-N 0 1 290.407 2.994 20 30 CFEDMN C#CCN1CC(C)(C)CC[C@H]1CNC(=O)[C@H]1CC=CCC1 ZINC001089605955 779544534 /nfs/dbraw/zinc/54/45/34/779544534.db2.gz RSPALPMHQGXFAL-HOTGVXAUSA-N 0 1 288.435 2.583 20 30 CFEDMN CCCCCCCCNC(=S)N1C[C@H](C)N[C@@H](C)C1 ZINC001239454446 779575106 /nfs/dbraw/zinc/57/51/06/779575106.db2.gz DDKACJKBWBXKQZ-KBPBESRZSA-N 0 1 285.501 2.904 20 30 CFEDMN CCCCCCCNC(=S)N1C[C@H](C)N[C@@H](C)C1 ZINC001239461893 779576166 /nfs/dbraw/zinc/57/61/66/779576166.db2.gz UTUKJXUUXJTEQH-STQMWFEESA-N 0 1 271.474 2.514 20 30 CFEDMN COc1ccc(OC)c(CN2[C@@H]3CC[C@H]2C[C@H](C#N)C3)c1 ZINC001203528986 779584109 /nfs/dbraw/zinc/58/41/09/779584109.db2.gz SRHDKSOCZVPBHV-XMQYKBBCSA-N 0 1 286.375 2.970 20 30 CFEDMN C=CCCC(=O)NCCN[C@H]1CCc2c1c(F)ccc2F ZINC001124635876 779699581 /nfs/dbraw/zinc/69/95/81/779699581.db2.gz BUOMOZWMRUIURC-AWEZNQCLSA-N 0 1 294.345 2.624 20 30 CFEDMN C=C(C)CN1CC[C@@]2(CCCN2Cc2ncccc2C)C1=O ZINC001272715407 779712713 /nfs/dbraw/zinc/71/27/13/779712713.db2.gz JAHYPIQAJRDDGQ-SFHVURJKSA-N 0 1 299.418 2.533 20 30 CFEDMN C=C(C)CN1CC(CNC(=O)C23CCC(CC2)C3(C)C)C1 ZINC001032037428 779717892 /nfs/dbraw/zinc/71/78/92/779717892.db2.gz RUZNPTYIUHNFAU-UHFFFAOYSA-N 0 1 290.451 2.827 20 30 CFEDMN C=C(C)CN1CC(CNC(=O)c2cc(Cl)ccc2C)C1 ZINC001032059804 779725583 /nfs/dbraw/zinc/72/55/83/779725583.db2.gz UJSKQUDVBCMUBZ-UHFFFAOYSA-N 0 1 292.810 2.886 20 30 CFEDMN C=CCN1CC(CNC(=O)c2cc(C(C)C)oc2C)C1 ZINC001032092568 779734304 /nfs/dbraw/zinc/73/43/04/779734304.db2.gz XUKIIUZYQCTZKX-UHFFFAOYSA-N 0 1 276.380 2.559 20 30 CFEDMN C=CCN1CC(CNC(=O)c2ccc(C)c(C)c2Cl)C1 ZINC001032128418 779743812 /nfs/dbraw/zinc/74/38/12/779743812.db2.gz CZMHPJBAVDKXDP-UHFFFAOYSA-N 0 1 292.810 2.804 20 30 CFEDMN C=CCN1CC(CNC(=O)c2ccc3[nH]c(C)c(C)c3c2)C1 ZINC001032178185 779752920 /nfs/dbraw/zinc/75/29/20/779752920.db2.gz XQFVDCUBPSWSSC-UHFFFAOYSA-N 0 1 297.402 2.632 20 30 CFEDMN C=CCN1CC(CNC(=O)[C@@H]2CCCCc3ccccc32)C1 ZINC001032211051 779766584 /nfs/dbraw/zinc/76/65/84/779766584.db2.gz YCSCDXVKKKOKIB-GOSISDBHSA-N 0 1 298.430 2.731 20 30 CFEDMN C=C(C)CN1CC(CNC(=O)C23CC(C(C)(C)C)(C2)C3)C1 ZINC001032217661 779772261 /nfs/dbraw/zinc/77/22/61/779772261.db2.gz LRAOVEGGDZLWEI-UHFFFAOYSA-N 0 1 290.451 2.827 20 30 CFEDMN CCCCCCCN1CCO[C@@](C)(CNC(=O)CC)C1 ZINC001107666913 779876548 /nfs/dbraw/zinc/87/65/48/779876548.db2.gz FPZBCDXXJGEXTD-INIZCTEOSA-N 0 1 284.444 2.574 20 30 CFEDMN C=CCCCCCN1CCO[C@@](C)(CNC(=O)CCC)C1 ZINC001107688366 779881026 /nfs/dbraw/zinc/88/10/26/779881026.db2.gz BIFDILYYJHLGDQ-KRWDZBQOSA-N 0 1 296.455 2.740 20 30 CFEDMN C=C(C)CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)C(F)=C(C)C ZINC001032353744 779887756 /nfs/dbraw/zinc/88/77/56/779887756.db2.gz GFEXYWMCTJSGCG-STQMWFEESA-N 0 1 266.360 2.501 20 30 CFEDMN C=C(C)CCN1C[C@@H]2C[C@H]1CN2C(=O)C(F)=C(C)C ZINC001032353744 779887764 /nfs/dbraw/zinc/88/77/64/779887764.db2.gz GFEXYWMCTJSGCG-STQMWFEESA-N 0 1 266.360 2.501 20 30 CFEDMN C=C(C)CCN1CCO[C@](C)(CNC(=O)CC(C)(C)C)C1 ZINC001107743468 779891697 /nfs/dbraw/zinc/89/16/97/779891697.db2.gz QTNJWVNUCLMLPE-QGZVFWFLSA-N 0 1 296.455 2.596 20 30 CFEDMN C=CCCC(=O)NC[C@@]1(C)CN(CC/C=C/CC)CCO1 ZINC001107801992 779901712 /nfs/dbraw/zinc/90/17/12/779901712.db2.gz GJDIDGHXWFTSAJ-JKNJVXJCSA-N 0 1 294.439 2.516 20 30 CFEDMN C=CCCC(=O)NC[C@]1(C)CN(CCCCCC)CCO1 ZINC001107802369 779901866 /nfs/dbraw/zinc/90/18/66/779901866.db2.gz QBDIEZPBDWWEMS-QGZVFWFLSA-N 0 1 296.455 2.740 20 30 CFEDMN C=CCC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@H]1CC[C@@H]2C[C@@H]2CC1 ZINC001032533871 780017411 /nfs/dbraw/zinc/01/74/11/780017411.db2.gz LNTJBVKHJZFSPL-QEOTZNIISA-N 0 1 288.435 2.674 20 30 CFEDMN C=C(C)CCC(=O)NC[C@]1(C)CN(CCC(=C)C)CCO1 ZINC001107976795 780051791 /nfs/dbraw/zinc/05/17/91/780051791.db2.gz WOUNGLXMSUVTBK-QGZVFWFLSA-N 0 1 294.439 2.516 20 30 CFEDMN C=CCCN1C[C@@H]2C[C@H]1CN2C(=O)c1ccoc1C1CC1 ZINC001032590316 780057935 /nfs/dbraw/zinc/05/79/35/780057935.db2.gz YAZYEUWEYGWEHL-KBPBESRZSA-N 0 1 286.375 2.632 20 30 CFEDMN C=C(C)CN1C[C@@H]2C[C@H]1CN2C(=O)Cc1cc(C)cc(C)c1 ZINC001032602650 780066780 /nfs/dbraw/zinc/06/67/80/780066780.db2.gz VLGDZNQNKJOCFJ-ROUUACIJSA-N 0 1 298.430 2.707 20 30 CFEDMN C=CCC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1cc[nH]c1C1CCC1 ZINC001032626109 780082765 /nfs/dbraw/zinc/08/27/65/780082765.db2.gz YIKVNQGWCWDBSY-GJZGRUSLSA-N 0 1 299.418 2.757 20 30 CFEDMN Cc1ccc2nc(N)n(-c3ccc(F)c(C#N)c3)c2c1 ZINC000094661042 780085772 /nfs/dbraw/zinc/08/57/72/780085772.db2.gz WQUWINZTXMQQRW-UHFFFAOYSA-N 0 1 266.279 2.927 20 30 CFEDMN N#Cc1cncnc1C1=CCCN(Cc2ccccc2)C1 ZINC001240385193 780129529 /nfs/dbraw/zinc/12/95/29/780129529.db2.gz ZNXIAELAYACRLC-UHFFFAOYSA-N 0 1 276.343 2.638 20 30 CFEDMN C=C(C)CN1C[C@@H]2C[C@H]1CN2C(=O)C[C@@H](C)c1ccco1 ZINC001032736219 780159694 /nfs/dbraw/zinc/15/96/94/780159694.db2.gz APSSABRMBVULBN-ILXRZTDVSA-N 0 1 288.391 2.634 20 30 CFEDMN COc1ccc([C@H]2C[C@@H](N3CC[C@H](C#N)C3)CCO2)cc1 ZINC001168658608 780212272 /nfs/dbraw/zinc/21/22/72/780212272.db2.gz APLCODXYPFZHNB-UKPHBRMFSA-N 0 1 286.375 2.761 20 30 CFEDMN C#CCCN1C[C@@H]2C[C@H]1CN2C(=O)C1(CC)CCCCC1 ZINC001032797738 780249454 /nfs/dbraw/zinc/24/94/54/780249454.db2.gz YIQDVSJJKDCKGZ-HOTGVXAUSA-N 0 1 288.435 2.655 20 30 CFEDMN C=CCCN1C[C@@H]2C[C@H]1CN2C(=O)c1sccc1CC ZINC001032799195 780253156 /nfs/dbraw/zinc/25/31/56/780253156.db2.gz ZMZTYMLBKBIYAK-KBPBESRZSA-N 0 1 290.432 2.785 20 30 CFEDMN C=CCN1CC[C@]2(CCCN2Cc2ccsc2)C1=O ZINC001272936388 780316355 /nfs/dbraw/zinc/31/63/55/780316355.db2.gz LEZAXUGYRSSMHW-OAHLLOKOSA-N 0 1 276.405 2.501 20 30 CFEDMN C=C(C)CN1C[C@]2(CC1=O)CCCCN2Cc1ccncc1 ZINC001272949808 780354577 /nfs/dbraw/zinc/35/45/77/780354577.db2.gz NQYRSJDTHVJAEP-GOSISDBHSA-N 0 1 299.418 2.615 20 30 CFEDMN C=CC(C)(C)CC(=O)NCCNCc1ccncc1Cl ZINC001128242714 780368802 /nfs/dbraw/zinc/36/88/02/780368802.db2.gz UNERSWFSYMAKFX-UHFFFAOYSA-N 0 1 295.814 2.543 20 30 CFEDMN C=C(C)CCC(=O)NCCN[C@H](C)c1ccccc1F ZINC001128418699 780435343 /nfs/dbraw/zinc/43/53/43/780435343.db2.gz RNMRABTVKDWMFV-CYBMUJFWSA-N 0 1 278.371 2.949 20 30 CFEDMN CN1CCN(c2ccc(-c3ncc(C#N)cc3F)cc2)CC1 ZINC001240849552 780475879 /nfs/dbraw/zinc/47/58/79/780475879.db2.gz OQZXAYPKWWVBAU-UHFFFAOYSA-N 0 1 296.349 2.511 20 30 CFEDMN CC#CCN1CC[C@@H](N(C)C(=O)c2csc(C)c2C)C1 ZINC001033106187 780565016 /nfs/dbraw/zinc/56/50/16/780565016.db2.gz DTOJUHMARGZASJ-CQSZACIVSA-N 0 1 290.432 2.535 20 30 CFEDMN N#Cc1nc(-c2cc(F)c(F)c(F)c2)cc2[nH]cnc21 ZINC001240979034 780567815 /nfs/dbraw/zinc/56/78/15/780567815.db2.gz XIDWTSUPGJIGKT-UHFFFAOYSA-N 0 1 274.205 2.914 20 30 CFEDMN C#CCCN1CC[C@H](N(C)C(=O)c2sc(C)cc2C)C1 ZINC001033119438 780575473 /nfs/dbraw/zinc/57/54/73/780575473.db2.gz MIRJJMZCGWNWJJ-AWEZNQCLSA-N 0 1 290.432 2.535 20 30 CFEDMN C=CCN1CC[C@@H](N(C)C(=O)c2ccc3cc(C)cn3c2)C1 ZINC001033135679 780577029 /nfs/dbraw/zinc/57/70/29/780577029.db2.gz IYRWWBUGGRURDZ-QGZVFWFLSA-N 0 1 297.402 2.580 20 30 CFEDMN C#CC[N@@H+]1CC[C@H](N(C)C(=O)c2ccccc2C(C)C)C1 ZINC001033129097 780578303 /nfs/dbraw/zinc/57/83/03/780578303.db2.gz WZTLTDWQRCBXBF-HNNXBMFYSA-N 0 1 284.403 2.590 20 30 CFEDMN C#CCN1CC[C@H](N(C)C(=O)c2ccccc2C(C)C)C1 ZINC001033129097 780578311 /nfs/dbraw/zinc/57/83/11/780578311.db2.gz WZTLTDWQRCBXBF-HNNXBMFYSA-N 0 1 284.403 2.590 20 30 CFEDMN C=CCN1CC[C@@H](N(C)C(=O)c2ccccc2CCC)C1 ZINC001033252591 780632871 /nfs/dbraw/zinc/63/28/71/780632871.db2.gz GTJRTCKMSBWLFP-MRXNPFEDSA-N 0 1 286.419 2.971 20 30 CFEDMN C=CCN1CC[C@H](N(C)C(=O)c2cc3ccccc3n2C)C1 ZINC001033376913 780668990 /nfs/dbraw/zinc/66/89/90/780668990.db2.gz XNANGVRCCLTNPD-HNNXBMFYSA-N 0 1 297.402 2.511 20 30 CFEDMN C=CC[N@@H+]1CC[C@@H](N(C)C(=O)c2ccc(C)cc2Cl)C1 ZINC001033441468 780682525 /nfs/dbraw/zinc/68/25/25/780682525.db2.gz AICRAUDLSWCZIV-CYBMUJFWSA-N 0 1 292.810 2.981 20 30 CFEDMN C=CCN1CC[C@@H](N(C)C(=O)c2ccc(C)cc2Cl)C1 ZINC001033441468 780682529 /nfs/dbraw/zinc/68/25/29/780682529.db2.gz AICRAUDLSWCZIV-CYBMUJFWSA-N 0 1 292.810 2.981 20 30 CFEDMN C=CCN1CC[C@@H](N(C)C(=O)c2cc(F)ccc2Cl)C1 ZINC001033446825 780685523 /nfs/dbraw/zinc/68/55/23/780685523.db2.gz NJWFIWZSWWDIFF-GFCCVEGCSA-N 0 1 296.773 2.811 20 30 CFEDMN C=CCN1CC[C@@H](N(C)C(=O)[C@@H](C)c2cc(C)oc2C)C1 ZINC001033511681 780699005 /nfs/dbraw/zinc/69/90/05/780699005.db2.gz BWGCZXLDNKLDPM-DZGCQCFKSA-N 0 1 290.407 2.719 20 30 CFEDMN C=CCN1CC[C@@H](N(C)C(=O)c2ccc3cnccc3c2)C1 ZINC001033563070 780714922 /nfs/dbraw/zinc/71/49/22/780714922.db2.gz RZFHIUMZKNSKTR-QGZVFWFLSA-N 0 1 295.386 2.567 20 30 CFEDMN C=CCN1CC[C@H](N(C)C(=O)c2ncsc2C(C)C)C1 ZINC001033582838 780716326 /nfs/dbraw/zinc/71/63/26/780716326.db2.gz UGUFBMVUPIFVNR-LBPRGKRZSA-N 0 1 293.436 2.599 20 30 CFEDMN C=CCN1CC[C@@H](N(C)C(=O)c2ccc(C3CC3)s2)C1 ZINC001033586118 780722949 /nfs/dbraw/zinc/72/29/49/780722949.db2.gz RUVOIVVJTIFGRA-CYBMUJFWSA-N 0 1 290.432 2.958 20 30 CFEDMN C=CCN1CC[C@@H](N(C)C(=O)c2ccc3ccccc3n2)C1 ZINC001033608655 780730089 /nfs/dbraw/zinc/73/00/89/780730089.db2.gz HJGROKGSDHZAFQ-OAHLLOKOSA-N 0 1 295.386 2.567 20 30 CFEDMN C#CCN1CC[C@@H](N(C)C(=O)c2ccccc2C2CCC2)C1 ZINC001033624879 780733372 /nfs/dbraw/zinc/73/33/72/780733372.db2.gz QHMQOKAGMCHPNJ-MRXNPFEDSA-N 0 1 296.414 2.734 20 30 CFEDMN C=CCN1CC[C@H](N(C)C(=O)[C@]2(C)CCc3ccccc32)C1 ZINC001033699074 780754374 /nfs/dbraw/zinc/75/43/74/780754374.db2.gz JZJSHGMKGBOHSI-QFBILLFUSA-N 0 1 298.430 2.609 20 30 CFEDMN C#CCN1CC[C@@H](N(C)C(=O)c2ccc([C@H](C)CC)cc2)C1 ZINC001033690133 780754652 /nfs/dbraw/zinc/75/46/52/780754652.db2.gz QHCWLUUTOBPVNL-CRAIPNDOSA-N 0 1 298.430 2.980 20 30 CFEDMN CC#CCN1CC[C@@H](N(C)C(=O)C2CC(C(C)(C)C)C2)C1 ZINC001033703613 780756018 /nfs/dbraw/zinc/75/60/18/780756018.db2.gz CAVXQNYRUBDZSF-UYSNPLJNSA-N 0 1 290.451 2.615 20 30 CFEDMN CC#CCN1CC[C@@H](N(C)C(=O)[C@H]2CCCCC2(C)C)C1 ZINC001033698786 780756459 /nfs/dbraw/zinc/75/64/59/780756459.db2.gz YHRAKNWLKGSVFK-HZPDHXFCSA-N 0 1 290.451 2.759 20 30 CFEDMN C#CCN1CC[C@@H](N(C)C(=O)C[C@H]2CCCCC2(C)C)C1 ZINC001033711186 780758468 /nfs/dbraw/zinc/75/84/68/780758468.db2.gz MWVZXNRHORCIDV-HZPDHXFCSA-N 0 1 290.451 2.759 20 30 CFEDMN CN1CC=C(c2ccc(C#N)c(C(F)(F)F)n2)CC1 ZINC001241309723 780772805 /nfs/dbraw/zinc/77/28/05/780772805.db2.gz YBVBFBLYXOZULU-UHFFFAOYSA-N 0 1 267.254 2.691 20 30 CFEDMN C=CCN1CC[C@H](N(CC)C(=O)c2oc(C)cc2C)C1 ZINC001033780973 780783387 /nfs/dbraw/zinc/78/33/87/780783387.db2.gz PATHYIPWNVNVPN-AWEZNQCLSA-N 0 1 276.380 2.619 20 30 CFEDMN C#CCN1CC[C@H](N(CC)C(=O)C2CCCCCC2)C1 ZINC001033776039 780787097 /nfs/dbraw/zinc/78/70/97/780787097.db2.gz WPTCPSAMHGLJBL-INIZCTEOSA-N 0 1 276.424 2.513 20 30 CFEDMN C=CCN1CC[C@H](N(CC)C(=O)C2=CCCCCC2)C1 ZINC001033810396 780795101 /nfs/dbraw/zinc/79/51/01/780795101.db2.gz KNPSLXUKIJSZCM-INIZCTEOSA-N 0 1 276.424 2.986 20 30 CFEDMN C=C(C)CN1CC[C@@H](N(CC)C(=O)c2cc(C)sn2)C1 ZINC001033814851 780799365 /nfs/dbraw/zinc/79/93/65/780799365.db2.gz CVHWBSCIFCFKPZ-CYBMUJFWSA-N 0 1 293.436 2.564 20 30 CFEDMN C=CCN1CC[C@H](N(CC)C(=O)c2c(C)coc2C)C1 ZINC001033820328 780801788 /nfs/dbraw/zinc/80/17/88/780801788.db2.gz MPKUSRHPCGGJFZ-AWEZNQCLSA-N 0 1 276.380 2.619 20 30 CFEDMN C#CC[N@@H+]1CC[C@@H](N(CC)C(=O)[C@H]2CCCC3(CC3)C2)C1 ZINC001033834143 780802898 /nfs/dbraw/zinc/80/28/98/780802898.db2.gz TVISGZQRWWHZJL-JKSUJKDBSA-N 0 1 288.435 2.513 20 30 CFEDMN C#CCN1CC[C@@H](N(CC)C(=O)[C@H]2CCCC3(CC3)C2)C1 ZINC001033834143 780802914 /nfs/dbraw/zinc/80/29/14/780802914.db2.gz TVISGZQRWWHZJL-JKSUJKDBSA-N 0 1 288.435 2.513 20 30 CFEDMN C=CCN1CC[C@@H](N(CC)C(=O)c2cccc(C)c2F)C1 ZINC001033841782 780803899 /nfs/dbraw/zinc/80/38/99/780803899.db2.gz ABEOZUBJIZNHFA-CQSZACIVSA-N 0 1 290.382 2.857 20 30 CFEDMN C#CC[N@@H+]1CC[C@@H](N(CC)C(=O)[C@@H]2CCCC3(CC3)C2)C1 ZINC001033834141 780803957 /nfs/dbraw/zinc/80/39/57/780803957.db2.gz TVISGZQRWWHZJL-HZPDHXFCSA-N 0 1 288.435 2.513 20 30 CFEDMN C#CCN1CC[C@@H](N(CC)C(=O)[C@@H]2CCCC3(CC3)C2)C1 ZINC001033834141 780803966 /nfs/dbraw/zinc/80/39/66/780803966.db2.gz TVISGZQRWWHZJL-HZPDHXFCSA-N 0 1 288.435 2.513 20 30 CFEDMN C=CCN1CC[C@H](N(CC)C(=O)c2ccc(F)c(F)c2)C1 ZINC001033856185 780807546 /nfs/dbraw/zinc/80/75/46/780807546.db2.gz RUKOLMYSAOOJCF-ZDUSSCGKSA-N 0 1 294.345 2.687 20 30 CFEDMN C#CCN1CC[C@@H](N(CC)C(=O)[C@H]2CCC=CCCC2)C1 ZINC001033874023 780815019 /nfs/dbraw/zinc/81/50/19/780815019.db2.gz UIHKGEZVQAPGBM-DLBZAZTESA-N 0 1 288.435 2.679 20 30 CFEDMN CC#CCN1CC[C@H](N(CC)C(=O)C2CC3(CCC3)C2)C1 ZINC001033921814 780827158 /nfs/dbraw/zinc/82/71/58/780827158.db2.gz GFBMMZJSBKQNAO-INIZCTEOSA-N 0 1 288.435 2.513 20 30 CFEDMN C=CCN1CC[C@H](N(CC)C(=O)c2cc[nH]c2C(C)C)C1 ZINC001033931610 780829772 /nfs/dbraw/zinc/82/97/72/780829772.db2.gz ODPBDDMLRUCLFR-AWEZNQCLSA-N 0 1 289.423 2.861 20 30 CFEDMN C#CC[N@@H+]1CC[C@H](N(CC)C(=O)c2ccc(CCC)cc2)C1 ZINC001033940627 780837666 /nfs/dbraw/zinc/83/76/66/780837666.db2.gz CHSMGBDWDINDGV-SFHVURJKSA-N 0 1 298.430 2.809 20 30 CFEDMN C#CCN1CC[C@H](N(CC)C(=O)c2ccc(CCC)cc2)C1 ZINC001033940627 780837679 /nfs/dbraw/zinc/83/76/79/780837679.db2.gz CHSMGBDWDINDGV-SFHVURJKSA-N 0 1 298.430 2.809 20 30 CFEDMN Cc1ncc(CNCc2ccc(C)c(C#N)c2)s1 ZINC000701823884 780842833 /nfs/dbraw/zinc/84/28/33/780842833.db2.gz RZAVNTKFZVDVQQ-UHFFFAOYSA-N 0 1 257.362 2.921 20 30 CFEDMN C=C(C)C[N@@H+]1CC[C@H](N(CC)C(=O)[C@@H]2CC23CCC3)C1 ZINC001033971694 780844066 /nfs/dbraw/zinc/84/40/66/780844066.db2.gz KFWKMMRDJZZMHR-GJZGRUSLSA-N 0 1 276.424 2.676 20 30 CFEDMN COc1cc(C#N)ccc1-c1nccc2c1CCN2 ZINC001241393950 780847510 /nfs/dbraw/zinc/84/75/10/780847510.db2.gz XZESSXPIJFJTNF-UHFFFAOYSA-N 0 1 251.289 2.597 20 30 CFEDMN C=CCN1CC[C@H](N(CC)C(=O)c2csc(Cl)n2)C1 ZINC001034009749 780853464 /nfs/dbraw/zinc/85/34/64/780853464.db2.gz RBOXCVJTBKRPRO-JTQLQIEISA-N 0 1 299.827 2.519 20 30 CFEDMN CC#CCN1CC[C@@H](N(CC)C(=O)c2ccc(C)c(C)c2)C1 ZINC001034032062 780860409 /nfs/dbraw/zinc/86/04/09/780860409.db2.gz LCMWTXXMFALRGI-GOSISDBHSA-N 0 1 298.430 2.863 20 30 CFEDMN C=CCC[N@@H+]1CC[C@@H](N(CC)C(=O)c2ccc(F)s2)C1 ZINC001034055325 780864521 /nfs/dbraw/zinc/86/45/21/780864521.db2.gz RSJDFMRPCZGBRB-GFCCVEGCSA-N 0 1 296.411 3.000 20 30 CFEDMN CC(C)C(=O)N[C@@H]1CCCCN(Cc2cccc(C#N)c2)C1 ZINC001034107895 780896474 /nfs/dbraw/zinc/89/64/74/780896474.db2.gz BGRKJHAEHSEPOV-QGZVFWFLSA-N 0 1 299.418 2.685 20 30 CFEDMN CC#CCN1CCCC[C@@H](NC(=O)c2oc(C)cc2C)C1 ZINC001034152721 780909159 /nfs/dbraw/zinc/90/91/59/780909159.db2.gz WQEPNGBHFRADLG-OAHLLOKOSA-N 0 1 288.391 2.504 20 30 CFEDMN C=CCN1CCCC[C@H](NC(=O)c2cc(C)c(C)o2)C1 ZINC001034164966 780913227 /nfs/dbraw/zinc/91/32/27/780913227.db2.gz KCKVUJDVOWVALW-AWEZNQCLSA-N 0 1 276.380 2.667 20 30 CFEDMN C=CCN1CCCC[C@H](NC(=O)c2cscc2C)C1 ZINC001034165240 780914367 /nfs/dbraw/zinc/91/43/67/780914367.db2.gz VTSYQCGIDUJTMN-ZDUSSCGKSA-N 0 1 278.421 2.827 20 30 CFEDMN CC#CCN1CCCC[C@H](NC(=O)[C@@]2(C)CC=CCC2)C1 ZINC001034226426 780926108 /nfs/dbraw/zinc/92/61/08/780926108.db2.gz QWFPLLOPJOBHRJ-WMZOPIPTSA-N 0 1 288.435 2.727 20 30 CFEDMN CC#CCN1CCCC[C@@H](NC(=O)C(C)(C)C2CCC2)C1 ZINC001034332649 780947116 /nfs/dbraw/zinc/94/71/16/780947116.db2.gz XQPKSSNWEHYRLS-MRXNPFEDSA-N 0 1 290.451 2.807 20 30 CFEDMN N#Cc1ncncc1C1=CCN(Cc2ccccc2)CC1 ZINC001241503913 780947321 /nfs/dbraw/zinc/94/73/21/780947321.db2.gz IOKODRBDLUFIJP-UHFFFAOYSA-N 0 1 276.343 2.638 20 30 CFEDMN C=CCN1CCCC[C@H](NC(=O)c2coc(C(F)F)c2)C1 ZINC001034371453 780957101 /nfs/dbraw/zinc/95/71/01/780957101.db2.gz JATXDBATRJFBBC-LBPRGKRZSA-N 0 1 298.333 2.988 20 30 CFEDMN CC#CCN1CCCC[C@@H](NC(=O)[C@@H]2C[C@H]2CC(C)C)C1 ZINC001034409526 780965272 /nfs/dbraw/zinc/96/52/72/780965272.db2.gz WOYHFMMTMGBIKK-BRWVUGGUSA-N 0 1 290.451 2.663 20 30 CFEDMN C=CC[N@H+]1CCCC[C@@H](NC(=O)C2Cc3ccccc3C2)C1 ZINC001034415059 780971117 /nfs/dbraw/zinc/97/11/17/780971117.db2.gz GXPCTYJDODRZSE-GOSISDBHSA-N 0 1 298.430 2.558 20 30 CFEDMN C=CC[N@@H+]1CCCC[C@H](NC(=O)c2cncc(Cl)c2)C1 ZINC001034452306 780977385 /nfs/dbraw/zinc/97/73/85/780977385.db2.gz LVRNNOSNLNGBGC-AWEZNQCLSA-N 0 1 293.798 2.505 20 30 CFEDMN C=CCN1CCCC[C@H](NC(=O)c2cncc(Cl)c2)C1 ZINC001034452306 780977391 /nfs/dbraw/zinc/97/73/91/780977391.db2.gz LVRNNOSNLNGBGC-AWEZNQCLSA-N 0 1 293.798 2.505 20 30 CFEDMN C#CCN1CCCC[C@H](NC(=O)c2ccc(C)cc2C)C1 ZINC001034517794 780989453 /nfs/dbraw/zinc/98/94/53/780989453.db2.gz DHJWXBREUWMVOD-INIZCTEOSA-N 0 1 284.403 2.521 20 30 CFEDMN CCn1cc(C2=CCCN(C)C2)c2sc(C#N)cc2c1=O ZINC001241572517 780989638 /nfs/dbraw/zinc/98/96/38/780989638.db2.gz ZQYGBGYGENNGEV-UHFFFAOYSA-N 0 1 299.399 2.673 20 30 CFEDMN C=CCN1CCCC[C@@H](NC(=O)c2c(C)nsc2C)C1 ZINC001034545000 780997475 /nfs/dbraw/zinc/99/74/75/780997475.db2.gz RQLRKGWYFBWCET-CYBMUJFWSA-N 0 1 293.436 2.530 20 30 CFEDMN C#CCN1CCCC[C@@H](NC(=O)C2(C)C(C)(C)C2(C)C)C1 ZINC001034557891 780999509 /nfs/dbraw/zinc/99/95/09/780999509.db2.gz LOLLUQRQMAWUGN-CQSZACIVSA-N 0 1 290.451 2.663 20 30 CFEDMN CN(C)Cc1ccc(-c2cc(F)cc(C#N)c2)nc1 ZINC001241655771 781050163 /nfs/dbraw/zinc/05/01/63/781050163.db2.gz YZYVVTWMMSJWSA-UHFFFAOYSA-N 0 1 255.296 2.821 20 30 CFEDMN Cc1[nH]nc2ccc(-c3cc(F)cnc3C#N)cc12 ZINC001241668208 781061814 /nfs/dbraw/zinc/06/18/14/781061814.db2.gz KJIDXOOXPFYRBL-UHFFFAOYSA-N 0 1 252.252 2.944 20 30 CFEDMN COc1cc(C#N)cnc1-c1ccc2[nH]cnc2c1 ZINC001241686155 781071455 /nfs/dbraw/zinc/07/14/55/781071455.db2.gz UXUYJGRBJJVDRL-UHFFFAOYSA-N 0 1 250.261 2.505 20 30 CFEDMN COC(=O)c1cc(C#N)ccc1-c1ccc2[nH]cnc2c1 ZINC001241691365 781075424 /nfs/dbraw/zinc/07/54/24/781075424.db2.gz NKCAHIWZGNVZIX-UHFFFAOYSA-N 0 1 277.283 2.888 20 30 CFEDMN C#CCN1CCC(C)(NC(=O)[C@@H]2CCCC[C@@H]2CC)CC1 ZINC001045607018 781082911 /nfs/dbraw/zinc/08/29/11/781082911.db2.gz PLBKNXXESVDBPS-JKSUJKDBSA-N 0 1 290.451 2.807 20 30 CFEDMN C=CCN1CC2(C1)CCN(C(=O)CC(C)(C)C)CC2 ZINC001035652337 781152608 /nfs/dbraw/zinc/15/26/08/781152608.db2.gz QZNNJUJHRCXUEN-UHFFFAOYSA-N 0 1 264.413 2.533 20 30 CFEDMN C#CCN1CC2(C1)CCN(C(=O)C1CCCCCC1)CC2 ZINC001035666327 781159039 /nfs/dbraw/zinc/15/90/39/781159039.db2.gz SGKWLWQNKYWSKO-UHFFFAOYSA-N 0 1 288.435 2.514 20 30 CFEDMN C=CCN1CC2(C1)CCN(C(=O)[C@H]1CCC[C@H](F)C1)CC2 ZINC001035707711 781159953 /nfs/dbraw/zinc/15/99/53/781159953.db2.gz QMZMDTQELFYHNI-GJZGRUSLSA-N 0 1 294.414 2.625 20 30 CFEDMN C=CCN1CC2(C1)CCN(C(=O)[C@@H]1CC[C@H]3C[C@H]3C1)CC2 ZINC001035735948 781163295 /nfs/dbraw/zinc/16/32/95/781163295.db2.gz NOORNGAGDMKHTQ-XHSDSOJGSA-N 0 1 288.435 2.533 20 30 CFEDMN C=CCN1CC2(C1)CCN(C(=O)[C@]1(C)C[C@H]3C[C@H]3C1)CC2 ZINC001035755142 781163876 /nfs/dbraw/zinc/16/38/76/781163876.db2.gz KJRHQQKPBZLWSW-SCAQPMJSSA-N 0 1 288.435 2.533 20 30 CFEDMN C=CCN1CC2(C1)CCN(C(=O)[C@H](C)C1CCCC1)CC2 ZINC001035837775 781176432 /nfs/dbraw/zinc/17/64/32/781176432.db2.gz MJBCQWSVKODANK-OAHLLOKOSA-N 0 1 290.451 2.923 20 30 CFEDMN N#Cc1nc(-c2ccc3c(c2)OCCCO3)cc2[nH]cnc21 ZINC001242205280 781325624 /nfs/dbraw/zinc/32/56/24/781325624.db2.gz RJSGOTWAKLFLSD-UHFFFAOYSA-N 0 1 292.298 2.658 20 30 CFEDMN C=C(Cl)CN1CC[C@@H]2CN(C(=O)C=C(C)C)CC[C@H]21 ZINC001036626710 781345521 /nfs/dbraw/zinc/34/55/21/781345521.db2.gz BNFBUJLHVHWFCR-ZIAGYGMSSA-N 0 1 282.815 2.628 20 30 CFEDMN COc1cccc(-c2cncc3[nH]c(C)nc32)c1C#N ZINC001242301319 781381594 /nfs/dbraw/zinc/38/15/94/781381594.db2.gz ICSPKTBZZXSJQL-UHFFFAOYSA-N 0 1 264.288 2.814 20 30 CFEDMN COc1cccc(-c2c[nH]cc3nc(C)nc2-3)c1C#N ZINC001242301319 781381601 /nfs/dbraw/zinc/38/16/01/781381601.db2.gz ICSPKTBZZXSJQL-UHFFFAOYSA-N 0 1 264.288 2.814 20 30 CFEDMN C=C(Cl)CN1CC[C@H]2CN(C(=O)C3CC=CC3)CC[C@H]21 ZINC001036672562 781395579 /nfs/dbraw/zinc/39/55/79/781395579.db2.gz CIGVNNABLKTMDI-LSDHHAIUSA-N 0 1 294.826 2.628 20 30 CFEDMN C=C(Cl)CN1CC[C@H]2CN(C(=O)C=C3CCC3)CC[C@@H]21 ZINC001036688836 781424379 /nfs/dbraw/zinc/42/43/79/781424379.db2.gz YRZYKJYQHRTPIR-GJZGRUSLSA-N 0 1 294.826 2.772 20 30 CFEDMN N#Cc1cc(CN2CCC[C@@H](CF)C2)ccc1F ZINC000711469709 781438425 /nfs/dbraw/zinc/43/84/25/781438425.db2.gz JIEFJUQHBYQGQM-LBPRGKRZSA-N 0 1 250.292 2.879 20 30 CFEDMN C=CCN1C[C@@]2(CC1=O)CCCCN2Cc1ccnc(C)c1 ZINC001273187024 781491963 /nfs/dbraw/zinc/49/19/63/781491963.db2.gz DVDPDRIMJBXAAV-SFHVURJKSA-N 0 1 299.418 2.533 20 30 CFEDMN Cc1cc(C#N)cc(-c2cc3[nH]cnc3c(C#N)n2)c1 ZINC001242475982 781530462 /nfs/dbraw/zinc/53/04/62/781530462.db2.gz VHASVZVXSNQVMO-UHFFFAOYSA-N 0 1 259.272 2.677 20 30 CFEDMN Cc1cc(C#N)cc(-c2ccc(N3CCN(C)CC3)cn2)c1 ZINC001242480827 781533709 /nfs/dbraw/zinc/53/37/09/781533709.db2.gz TVRPDYXUJZUQIS-UHFFFAOYSA-N 0 1 292.386 2.681 20 30 CFEDMN CN(C)c1cncc(-c2nccc3[nH]cc(C#N)c32)c1 ZINC001242526859 781568424 /nfs/dbraw/zinc/56/84/24/781568424.db2.gz WSNRRXFUUKMIQW-UHFFFAOYSA-N 0 1 263.304 2.563 20 30 CFEDMN Cc1ccc(C#N)cc1-c1cc2[nH]cnc2c(C#N)n1 ZINC001242538929 781579578 /nfs/dbraw/zinc/57/95/78/781579578.db2.gz JNQCFJPZKXXWLB-UHFFFAOYSA-N 0 1 259.272 2.677 20 30 CFEDMN N#Cc1cc(-c2ncc3sccc3n2)ccc1O ZINC001242561963 781599989 /nfs/dbraw/zinc/59/99/89/781599989.db2.gz FOWAIUCJUKCIEP-UHFFFAOYSA-N 0 1 253.286 2.936 20 30 CFEDMN C=C(C)CN1C[C@@H](C)[C@H](NC(=O)c2cc(C)cs2)C1 ZINC001079663469 781615254 /nfs/dbraw/zinc/61/52/54/781615254.db2.gz MLYCYLSZKPUFMI-CHWSQXEVSA-N 0 1 278.421 2.683 20 30 CFEDMN C=CCN1C[C@@H](C)[C@H](NC(=O)c2ccc3occc3c2)C1 ZINC001079745410 781619817 /nfs/dbraw/zinc/61/98/17/781619817.db2.gz YGKAADYBUBHXFO-IUODEOHRSA-N 0 1 284.359 2.669 20 30 CFEDMN CC#CCN1C[C@@H](C)[C@H](NC(=O)c2ccccc2C(C)C)C1 ZINC001079810081 781621799 /nfs/dbraw/zinc/62/17/99/781621799.db2.gz ODBKRRVIHUMPLN-CRAIPNDOSA-N 0 1 298.430 2.883 20 30 CFEDMN C=C(C)C[N@@H+]1C[C@@H](C)[C@H](NC(=O)C[C@@H]2C=CCCC2)C1 ZINC001079946465 781626666 /nfs/dbraw/zinc/62/66/66/781626666.db2.gz PQHHQWQRMIWIDA-BZUAXINKSA-N 0 1 276.424 2.745 20 30 CFEDMN C=CCN1C[C@@H](C)[C@H](NC(=O)c2ccc(C)nc2C2CC2)C1 ZINC001080211037 781641989 /nfs/dbraw/zinc/64/19/89/781641989.db2.gz BSRVWYWHFQVXEB-MLGOLLRUSA-N 0 1 299.418 2.504 20 30 CFEDMN C=CCN1C[C@@H](C)[C@H](NC(=O)c2cc(F)cc(Cl)c2)C1 ZINC001080498868 781662525 /nfs/dbraw/zinc/66/25/25/781662525.db2.gz BVWHKTMKDQPSTB-QMTHXVAHSA-N 0 1 296.773 2.715 20 30 CFEDMN C#CCN1C[C@@H](C)[C@H](NC(=O)c2cccc(C(C)(C)C)c2)C1 ZINC001080643744 781673347 /nfs/dbraw/zinc/67/33/47/781673347.db2.gz KMPFGPTVNKKWLY-RHSMWYFYSA-N 0 1 298.430 2.667 20 30 CFEDMN C=CCN1C[C@@H](C)[C@H](NC(=O)c2ccc(C3CC3)s2)C1 ZINC001080778021 781676531 /nfs/dbraw/zinc/67/65/31/781676531.db2.gz RASFQNGWLAIDQH-DGCLKSJQSA-N 0 1 290.432 2.862 20 30 CFEDMN CC#CCN1C[C@@H](C)[C@H](NC(=O)C2(C)C(C)(C)C2(C)C)C1 ZINC001081055160 781699330 /nfs/dbraw/zinc/69/93/30/781699330.db2.gz ZATLWRMWMVTJND-ZIAGYGMSSA-N 0 1 290.451 2.519 20 30 CFEDMN CC#CCN1CC(C)(C)CC[C@H]1CNC(=O)CC(C)C ZINC001098872861 781723510 /nfs/dbraw/zinc/72/35/10/781723510.db2.gz GUUUYKQEMPJUCC-HNNXBMFYSA-N 0 1 278.440 2.663 20 30 CFEDMN C=C(Cl)CN[C@@H]1CN(C(=O)[C@]2(C)C=CCC2)C[C@H]1C ZINC001082690811 781739633 /nfs/dbraw/zinc/73/96/33/781739633.db2.gz KNFVOJSZFGGORW-UXIGCNINSA-N 0 1 282.815 2.532 20 30 CFEDMN COC(=O)c1ccc(-c2cccc(O)c2Cl)c(C#N)n1 ZINC001242800713 781765959 /nfs/dbraw/zinc/76/59/59/781765959.db2.gz LUMJHGUEYGTRBP-UHFFFAOYSA-N 0 1 288.690 2.766 20 30 CFEDMN C=CCN1CC[C@@H]2CN(C(=O)C3CCCCCC3)[C@@H]2C1 ZINC001084229428 781781242 /nfs/dbraw/zinc/78/12/42/781781242.db2.gz KNJWDCGJPGNWGE-HZPDHXFCSA-N 0 1 276.424 2.676 20 30 CFEDMN C=CCN1CC[C@@H]2CN(C(=O)C[C@H]3CCC(F)(F)C3)[C@@H]2C1 ZINC001084395302 781795590 /nfs/dbraw/zinc/79/55/90/781795590.db2.gz OARHTIBWXVKMTP-MGPQQGTHSA-N 0 1 298.377 2.531 20 30 CFEDMN C=CCN1CC[C@@H]2CN(C(=O)C[C@@H]3CCCC3(F)F)[C@@H]2C1 ZINC001084608000 781809278 /nfs/dbraw/zinc/80/92/78/781809278.db2.gz RNZWMBBLIPMSFJ-HZSPNIEDSA-N 0 1 298.377 2.531 20 30 CFEDMN C=C(C)CN1CC[C@@H]2CN(C(=O)C(C)(C)C3CC3)[C@@H]2C1 ZINC001084595104 781809380 /nfs/dbraw/zinc/80/93/80/781809380.db2.gz HHILUDOWWCPHQI-UKRRQHHQSA-N 0 1 276.424 2.531 20 30 CFEDMN C=CCN1CC[C@@H]2CN(C(=O)[C@@H](C)c3cccs3)[C@@H]2C1 ZINC001084656273 781817850 /nfs/dbraw/zinc/81/78/50/781817850.db2.gz XQBAGVMVLOSRMZ-BFHYXJOUSA-N 0 1 290.432 2.570 20 30 CFEDMN C=CCN1CC[C@@H]2CN(C(=O)C(CC)(CC)CC)[C@@H]2C1 ZINC001084743299 781828566 /nfs/dbraw/zinc/82/85/66/781828566.db2.gz FXGUCVKQNZXAJM-HUUCEWRRSA-N 0 1 278.440 2.922 20 30 CFEDMN C=C(C)C[N@@H+]1CC[C@@H]2CN(C(=O)[C@H]3CC[C@H](C)CC3)[C@@H]2C1 ZINC001084784829 781834762 /nfs/dbraw/zinc/83/47/62/781834762.db2.gz HOHIYEKAGROSDL-QBPKDAKJSA-N 0 1 290.451 2.922 20 30 CFEDMN C=C(C)CN1CC[C@@H]2CN(C(=O)C(C)(CC)CC)[C@@H]2C1 ZINC001084840535 781844653 /nfs/dbraw/zinc/84/46/53/781844653.db2.gz JBYHVMPPMHDDIZ-HUUCEWRRSA-N 0 1 278.440 2.922 20 30 CFEDMN C=C(Cl)CNCCN(CC)C(=O)c1cccc(F)c1 ZINC001273248609 781873359 /nfs/dbraw/zinc/87/33/59/781873359.db2.gz FWIXJVUJJXDBII-UHFFFAOYSA-N 0 1 284.762 2.630 20 30 CFEDMN COc1cc(C)ccc1-c1cc2[nH]cnc2c(C#N)n1 ZINC001242978179 781897582 /nfs/dbraw/zinc/89/75/82/781897582.db2.gz JKCDRFQKYKSGAE-UHFFFAOYSA-N 0 1 264.288 2.814 20 30 CFEDMN COC[C@@H](CC(C)(C)C)NCc1nc(C#N)cs1 ZINC000594517073 349439330 /nfs/dbraw/zinc/43/93/30/349439330.db2.gz UWDHJCLSRVIVPF-SNVBAGLBSA-N 0 1 267.398 2.556 20 30 CFEDMN N#CC1(Cn2cc([C@H](N)c3ccccc3)nn2)CCCCC1 ZINC000594658696 349470294 /nfs/dbraw/zinc/47/02/94/349470294.db2.gz XPFVIIXUQUFQPY-MRXNPFEDSA-N 0 1 295.390 2.800 20 30 CFEDMN Cn1ncc(C(F)(F)F)c1CNCc1ccc(C#N)cc1 ZINC000594927201 349512298 /nfs/dbraw/zinc/51/22/98/349512298.db2.gz ZGLCSXSCJJEYPY-UHFFFAOYSA-N 0 1 294.280 2.600 20 30 CFEDMN Cc1ncsc1CNCc1ccc(OCC#N)cc1 ZINC000071212778 260160253 /nfs/dbraw/zinc/16/02/53/260160253.db2.gz JLJFTUJBDXUUJQ-UHFFFAOYSA-N 0 1 273.361 2.644 20 30 CFEDMN N#Cc1csc(CNCc2cnc(C(F)(F)F)nc2)c1 ZINC000594952676 349526411 /nfs/dbraw/zinc/52/64/11/349526411.db2.gz QRGIWEKNDCANQL-UHFFFAOYSA-N 0 1 298.293 2.718 20 30 CFEDMN C=CCCSCCNCc1cc2n(n1)CCCC2 ZINC000594969651 349535219 /nfs/dbraw/zinc/53/52/19/349535219.db2.gz XWPABCXIYHYLJS-UHFFFAOYSA-N 0 1 265.426 2.618 20 30 CFEDMN C[C@H](O)[C@@H](NCc1cc(C#N)cs1)c1ccccc1 ZINC000595008428 349547053 /nfs/dbraw/zinc/54/70/53/349547053.db2.gz SIHRNVIFVKCBAT-XHDPSFHLSA-N 0 1 272.373 2.831 20 30 CFEDMN C[C@@H](O)[C@@H](NCc1cc(C#N)cs1)c1ccccc1 ZINC000595008426 349547576 /nfs/dbraw/zinc/54/75/76/349547576.db2.gz SIHRNVIFVKCBAT-IAQYHMDHSA-N 0 1 272.373 2.831 20 30 CFEDMN CC[C@@H]1CCN([C@@H](C)C(=O)Nc2ccccc2C#N)C1 ZINC000125191751 187174357 /nfs/dbraw/zinc/17/43/57/187174357.db2.gz WUVIVODTUPBGNL-QWHCGFSZSA-N 0 1 271.364 2.617 20 30 CFEDMN C[C@H](N[C@@H]1CCCn2nccc21)c1cccc(C#N)c1 ZINC000595024891 349553579 /nfs/dbraw/zinc/55/35/79/349553579.db2.gz HOUJGXRONQYONT-SWLSCSKDSA-N 0 1 266.348 2.940 20 30 CFEDMN COc1cc([N+](=O)[O-])ccc1[C@H](C)NCCCC#N ZINC000595033708 349557700 /nfs/dbraw/zinc/55/77/00/349557700.db2.gz SKKDCGPCRWADMG-JTQLQIEISA-N 0 1 263.297 2.558 20 30 CFEDMN C=CCCS(=O)(=O)Nc1cc(Cl)ccc1OC ZINC000096659543 185108698 /nfs/dbraw/zinc/10/86/98/185108698.db2.gz QCQCVLOXWCOINT-UHFFFAOYSA-N 0 1 275.757 2.666 20 30 CFEDMN CC[C@H]1CN(CCc2ccc(C#N)cc2)C[C@H](C)O1 ZINC000595318212 349601407 /nfs/dbraw/zinc/60/14/07/349601407.db2.gz SLVODTBERLGRRS-BBRMVZONSA-N 0 1 258.365 2.600 20 30 CFEDMN Cc1nnc([C@H](C)NCCc2ccc(C#N)cc2)s1 ZINC000595438415 349626062 /nfs/dbraw/zinc/62/60/62/349626062.db2.gz PMLPMIRNMKKVPM-JTQLQIEISA-N 0 1 272.377 2.612 20 30 CFEDMN N#CC[C@H]1CCCN(CCOc2ccccc2F)C1 ZINC000595609926 349674575 /nfs/dbraw/zinc/67/45/75/349674575.db2.gz QJKUOIVHDDYURX-CYBMUJFWSA-N 0 1 262.328 2.830 20 30 CFEDMN COc1cc(C#N)ccc1OCCN1CCC[C@@H](CC#N)C1 ZINC000595613502 349676059 /nfs/dbraw/zinc/67/60/59/349676059.db2.gz DJTXMEFDBOIWSL-AWEZNQCLSA-N 0 1 299.374 2.571 20 30 CFEDMN N#CC[C@H]1CCCN(Cc2cnc3ccccc3n2)C1 ZINC000595615525 349676979 /nfs/dbraw/zinc/67/69/79/349676979.db2.gz IOVYJEIACAZAEV-CYBMUJFWSA-N 0 1 266.348 2.755 20 30 CFEDMN N#CC[C@H]1CCC[N@@H+](Cc2ccc3c[nH]nc3c2)C1 ZINC000595618726 349678896 /nfs/dbraw/zinc/67/88/96/349678896.db2.gz ZYHYZVADLPAGRX-GFCCVEGCSA-N 0 1 254.337 2.689 20 30 CFEDMN C=CC[C@@H]1CCCC[C@H]1NCc1oncc1C(=O)OC ZINC000595605344 349672694 /nfs/dbraw/zinc/67/26/94/349672694.db2.gz WVAKMXSSDASGRD-DGCLKSJQSA-N 0 1 278.352 2.686 20 30 CFEDMN CC(C)(C)CN1CCC[C@@H](N2CCC[C@@H](CC#N)C2)C1=O ZINC000595620022 349679350 /nfs/dbraw/zinc/67/93/50/349679350.db2.gz JRKAVDCEYLITDN-LSDHHAIUSA-N 0 1 291.439 2.649 20 30 CFEDMN Cc1nccc([NH+]=C([O-])N[C@H]2CCc3ccccc3C2)n1 ZINC000330136535 282185507 /nfs/dbraw/zinc/18/55/07/282185507.db2.gz UFDKEUDNHLGNKU-AWEZNQCLSA-N 0 1 282.347 2.668 20 30 CFEDMN COc1ncccc1CNC(C)(C)c1cccc(C#N)c1 ZINC000595633723 349683417 /nfs/dbraw/zinc/68/34/17/349683417.db2.gz XFKIZUBFTGORIW-UHFFFAOYSA-N 0 1 281.359 2.987 20 30 CFEDMN C[C@@H]1COC2(CCC2)CN1Cc1ccc(CC#N)cc1 ZINC000595682242 349699199 /nfs/dbraw/zinc/69/91/99/349699199.db2.gz PIKPPSPNCYJUAB-CQSZACIVSA-N 0 1 270.376 2.896 20 30 CFEDMN C[C@@H]1COC2(CCC2)CN1CCOc1cccc(C#N)c1 ZINC000595675063 349696704 /nfs/dbraw/zinc/69/67/04/349696704.db2.gz NNUBJUTZWRDCQY-CQSZACIVSA-N 0 1 286.375 2.580 20 30 CFEDMN COc1ccc(C[N@H+]2CCC[C@@H](C)[C@@H]2CCO)cc1C#N ZINC000595698646 349707527 /nfs/dbraw/zinc/70/75/27/349707527.db2.gz NLGQNFVOCPVGHS-CJNGLKHVSA-N 0 1 288.391 2.550 20 30 CFEDMN C[C@H]1CCC[N@@H+](Cc2cn3ccccc3c2C#N)[C@@H]1CCO ZINC000595698606 349707653 /nfs/dbraw/zinc/70/76/53/349707653.db2.gz NGQFPSUDWCTPIR-WMLDXEAASA-N 0 1 297.402 2.794 20 30 CFEDMN COc1ccc(C[N@H+]2CCC[C@H](C)[C@@H]2CCO)cc1C#N ZINC000595698644 349707743 /nfs/dbraw/zinc/70/77/43/349707743.db2.gz NLGQNFVOCPVGHS-BBRMVZONSA-N 0 1 288.391 2.550 20 30 CFEDMN N#Cc1ccc(CN2CC[C@@H]3COC[C@H]3C2)c(Cl)c1 ZINC000595826858 349743371 /nfs/dbraw/zinc/74/33/71/349743371.db2.gz KFYZHURZDKBOQE-ZIAGYGMSSA-N 0 1 276.767 2.680 20 30 CFEDMN COc1ccc(C#N)cc1CN1CCC(c2ccon2)CC1 ZINC000595827711 349744897 /nfs/dbraw/zinc/74/48/97/349744897.db2.gz GBCHXYYSOYGNHK-UHFFFAOYSA-N 0 1 297.358 2.934 20 30 CFEDMN CN(c1ccccc1)[C@@H]1CCN(Cc2ccc(C#N)cn2)C1 ZINC000595829784 349744960 /nfs/dbraw/zinc/74/49/60/349744960.db2.gz YUYLNZBWCCKKDK-GOSISDBHSA-N 0 1 292.386 2.664 20 30 CFEDMN CC[C@H](C#N)S(=O)(=O)Nc1cc(F)c(F)cc1Cl ZINC000334896142 529588331 /nfs/dbraw/zinc/58/83/31/529588331.db2.gz JRTIHMVAGYGRMZ-ZCFIWIBFSA-N 0 1 294.710 2.662 20 30 CFEDMN C=CCNC(=O)[C@H](C)N1CCC[C@@H]1c1cccs1 ZINC000070741729 346912752 /nfs/dbraw/zinc/91/27/52/346912752.db2.gz DQVQUPRYBUYBHP-NWDGAFQWSA-N 0 1 264.394 2.576 20 30 CFEDMN CN(CC1=CCSC1)Cc1ccc(C#N)c(F)c1 ZINC000595887143 349762414 /nfs/dbraw/zinc/76/24/14/349762414.db2.gz BCKSKQXCHOZYAG-UHFFFAOYSA-N 0 1 262.353 2.802 20 30 CFEDMN N#Cc1ccc([C@@H](C(N)=O)N2CCC[C@@H](C3CCC3)C2)cc1 ZINC000595837041 349749312 /nfs/dbraw/zinc/74/93/12/349749312.db2.gz OAUDBNAAFDXHDH-SJORKVTESA-N 0 1 297.402 2.597 20 30 CFEDMN N#Cc1ccc([C@@H](C(N)=O)N2CCC[C@H](C3CCC3)C2)cc1 ZINC000595837040 349749781 /nfs/dbraw/zinc/74/97/81/349749781.db2.gz OAUDBNAAFDXHDH-IRXDYDNUSA-N 0 1 297.402 2.597 20 30 CFEDMN Cc1ccc([C@@H](N)C(=O)NCC2(C#N)CCCCC2)cc1 ZINC000595973686 349773819 /nfs/dbraw/zinc/77/38/19/349773819.db2.gz ZCUAMFLCLWFPPT-OAHLLOKOSA-N 0 1 285.391 2.585 20 30 CFEDMN C[C@H](C[N@H+]1CCC[C@H](C)C1)N=c1[n-]c(C#N)c(Cl)s1 ZINC000596086041 349790710 /nfs/dbraw/zinc/79/07/10/349790710.db2.gz SWGAMARTJIYILH-VHSXEESVSA-N 0 1 298.843 2.622 20 30 CFEDMN CCn1nccc1CNCc1ccc(C(C)(C)C#N)cc1 ZINC000596062213 349784514 /nfs/dbraw/zinc/78/45/14/349784514.db2.gz NRJBTTYXELDEQC-UHFFFAOYSA-N 0 1 282.391 2.994 20 30 CFEDMN CC[C@H](N[C@H]1CC[C@@H](C#N)C1)c1nnc2n1CCCCC2 ZINC000333102550 529672420 /nfs/dbraw/zinc/67/24/20/529672420.db2.gz QCZWENTZGSJJHZ-RDBSUJKOSA-N 0 1 287.411 2.737 20 30 CFEDMN CN(C)[C@H]1CCOc2c(NC(=O)C(C)(C)C#N)cccc21 ZINC000345502084 282264859 /nfs/dbraw/zinc/26/48/59/282264859.db2.gz GGMCXOYWWLFMKL-ZDUSSCGKSA-N 0 1 287.363 2.560 20 30 CFEDMN CN(CC#Cc1cccc(Cl)c1)[C@H]1CCCOC1 ZINC000352219026 529823116 /nfs/dbraw/zinc/82/31/16/529823116.db2.gz BCUVECBLHOOBTM-HNNXBMFYSA-N 0 1 263.768 2.802 20 30 CFEDMN CN(CC(C)(C)C#N)C(=O)c1cnc(-c2ccccc2)[nH]1 ZINC000353242957 529843298 /nfs/dbraw/zinc/84/32/98/529843298.db2.gz MDDXWOIFGNNPSE-UHFFFAOYSA-N 0 1 282.347 2.698 20 30 CFEDMN CC1(C)CN(Cc2ccc(C#N)s2)CCS1 ZINC000128088619 187350265 /nfs/dbraw/zinc/35/02/65/187350265.db2.gz DQCCZBIJPNHWEW-UHFFFAOYSA-N 0 1 252.408 2.947 20 30 CFEDMN Cc1cc(C(C#N)C(=O)[C@H]2[C@H](C3CC3)[C@@H]2C)nc(C)n1 ZINC000528920357 383677584 /nfs/dbraw/zinc/67/75/84/383677584.db2.gz UWYYJYAVLWXMGM-MOUXYMJCSA-N 0 1 269.348 2.562 20 30 CFEDMN CN(Cc1ccc(F)c(C#N)c1)C[C@@H]1CCCCO1 ZINC000160978142 529986633 /nfs/dbraw/zinc/98/66/33/529986633.db2.gz SEWPOTMPJYTJMK-AWEZNQCLSA-N 0 1 262.328 2.698 20 30 CFEDMN C[C@H](NCC#Cc1cccc(Cl)c1)c1cnn(C)c1 ZINC000273255435 192090120 /nfs/dbraw/zinc/09/01/20/192090120.db2.gz CRMFHFMQEQCQFJ-LBPRGKRZSA-N 0 1 273.767 2.776 20 30 CFEDMN N#Cc1cccnc1NC[C@@H]1CCN1Cc1ccccc1 ZINC000596552093 349939894 /nfs/dbraw/zinc/93/98/94/349939894.db2.gz LDLNFHPKZSMNDJ-INIZCTEOSA-N 0 1 278.359 2.640 20 30 CFEDMN Cc1ccc(C#N)c(NC[C@H]2CCN2Cc2ccccc2)n1 ZINC000596556347 349940755 /nfs/dbraw/zinc/94/07/55/349940755.db2.gz BDYZACSFXWSZPN-QGZVFWFLSA-N 0 1 292.386 2.948 20 30 CFEDMN N#Cc1ccncc1NC[C@@H]1CCN1Cc1ccccc1 ZINC000596559425 349941586 /nfs/dbraw/zinc/94/15/86/349941586.db2.gz YGWOTKNDWJCPMN-INIZCTEOSA-N 0 1 278.359 2.640 20 30 CFEDMN CCN(CC(=O)Nc1ccc(C#N)c(Cl)c1)C1CC1 ZINC000029912468 346284604 /nfs/dbraw/zinc/28/46/04/346284604.db2.gz RTGMWNNQUNONGV-UHFFFAOYSA-N 0 1 277.755 2.634 20 30 CFEDMN C=CC[C@H]1CCC[N@H+](Cc2cnn(CC(F)F)c2)C1 ZINC000668494134 539535916 /nfs/dbraw/zinc/53/59/16/539535916.db2.gz WIRKJYXHTZWGHL-LBPRGKRZSA-N 0 1 269.339 2.936 20 30 CFEDMN C=C(C)CN(CC)C(=O)NC[C@H](c1ccsc1)N(C)C ZINC000046347470 346426053 /nfs/dbraw/zinc/42/60/53/346426053.db2.gz BNKOHORENJGUAO-CQSZACIVSA-N 0 1 295.452 2.958 20 30 CFEDMN CCc1[nH]ncc1C(=O)Nc1cccc(OCCCC#N)c1 ZINC000058535048 346645671 /nfs/dbraw/zinc/64/56/71/346645671.db2.gz IWJUHZVOHTZLNI-UHFFFAOYSA-N 0 1 298.346 2.907 20 30 CFEDMN C[C@@H]1CCCC[C@@H]1OCCN1CCC(C#N)CC1 ZINC000057875738 346639461 /nfs/dbraw/zinc/63/94/61/346639461.db2.gz VONNKDFXXZGFNF-HIFRSBDPSA-N 0 1 250.386 2.817 20 30 CFEDMN C=CCN(CC=C)C(=O)CN(CC)Cc1ccccc1 ZINC000061758153 346683123 /nfs/dbraw/zinc/68/31/23/346683123.db2.gz XHAHVTIYWLNZPZ-UHFFFAOYSA-N 0 1 272.392 2.709 20 30 CFEDMN N#Cc1ccccc1N1CCN([C@H]2C=CCCC2)CC1 ZINC000066497527 346764527 /nfs/dbraw/zinc/76/45/27/346764527.db2.gz PHWZIFCVSLWQGW-INIZCTEOSA-N 0 1 267.376 2.789 20 30 CFEDMN COCC#CCN(C)[C@H](C)c1ccc(F)c(F)c1 ZINC000677132839 539552897 /nfs/dbraw/zinc/55/28/97/539552897.db2.gz UMUXCRKGGYWECM-LLVKDONJSA-N 0 1 253.292 2.607 20 30 CFEDMN COc1nc(C)cc(C)c1CNCc1cccc(C#N)c1 ZINC000067011616 346788386 /nfs/dbraw/zinc/78/83/86/346788386.db2.gz UEAIUOOOCDANPI-UHFFFAOYSA-N 0 1 281.359 2.869 20 30 CFEDMN C#CCN1CCC(C(=O)Oc2ccc(Cl)cc2C)CC1 ZINC000067141136 346792988 /nfs/dbraw/zinc/79/29/88/346792988.db2.gz UOECPRYFHVXKBD-UHFFFAOYSA-N 0 1 291.778 2.899 20 30 CFEDMN N#Cc1cccc(OCCN2CCOc3ccccc3C2)c1 ZINC000076850113 347158219 /nfs/dbraw/zinc/15/82/19/347158219.db2.gz BFFPIHWRVMWYKX-UHFFFAOYSA-N 0 1 294.354 2.832 20 30 CFEDMN C[C@@H](C(=O)N[C@@H](C#N)c1ccc(C(C)(C)C)cc1)N(C)C ZINC000078735938 347273041 /nfs/dbraw/zinc/27/30/41/347273041.db2.gz OSAYIGZWTPLKQZ-WFASDCNBSA-N 0 1 287.407 2.615 20 30 CFEDMN C[C@@H](C#N)CSc1ccccc1NC(=O)[C@H](C)N(C)C ZINC000078735608 347273043 /nfs/dbraw/zinc/27/30/43/347273043.db2.gz KZQIFBXDZCZWBB-RYUDHWBXSA-N 0 1 291.420 2.827 20 30 CFEDMN C#CCN1CCC(C(=O)N2CCC[C@H](C)[C@H]2CCC)CC1 ZINC000081176778 347405910 /nfs/dbraw/zinc/40/59/10/347405910.db2.gz XGIHWUXUZUGKLJ-DOTOQJQBSA-N 0 1 290.451 2.759 20 30 CFEDMN C[C@@H](CC#N)NC(=O)c1ccc(Nc2ccncc2)cc1 ZINC000081305775 347412395 /nfs/dbraw/zinc/41/23/95/347412395.db2.gz FDJKYBWNUGSHLE-LBPRGKRZSA-N 0 1 280.331 2.857 20 30 CFEDMN CCCCN1CCN([C@@H](C#N)c2ccccc2)CC1 ZINC000080905913 347384921 /nfs/dbraw/zinc/38/49/21/347384921.db2.gz DQJWHNRZMWNNAJ-INIZCTEOSA-N 0 1 257.381 2.669 20 30 CFEDMN CN(CC(C)(C)C)[C@@H]1CCN(c2sccc2C#N)C1=O ZINC000083186083 347449513 /nfs/dbraw/zinc/44/95/13/347449513.db2.gz RUJXNUPCIIYLCU-GFCCVEGCSA-N 0 1 291.420 2.703 20 30 CFEDMN C=CCCC[C@@H](C)N1CCN(c2nc(C)ns2)CC1 ZINC000091514689 347591140 /nfs/dbraw/zinc/59/11/40/347591140.db2.gz DVCBXUJDFFCUEC-GFCCVEGCSA-N 0 1 280.441 2.713 20 30 CFEDMN Cc1cc(C[C@H](C)Nc2snc(Cl)c2C#N)[nH]n1 ZINC000092685743 347640607 /nfs/dbraw/zinc/64/06/07/347640607.db2.gz DGCUEXXLTZKAPL-LURJTMIESA-N 0 1 281.772 2.743 20 30 CFEDMN C[C@H](CNc1cnccc1C#N)N1CCc2sccc2C1 ZINC000094134725 347691942 /nfs/dbraw/zinc/69/19/42/347691942.db2.gz ORWTYPCXWGLWNG-GFCCVEGCSA-N 0 1 298.415 2.873 20 30 CFEDMN C[C@@H](CNc1cnccc1C#N)N1CCc2sccc2C1 ZINC000094134724 347691964 /nfs/dbraw/zinc/69/19/64/347691964.db2.gz ORWTYPCXWGLWNG-LBPRGKRZSA-N 0 1 298.415 2.873 20 30 CFEDMN Cn1cc(CCCN(CCC#N)CC(C)(C)C)cn1 ZINC000111250903 347752971 /nfs/dbraw/zinc/75/29/71/347752971.db2.gz FDTWUYUZZLYLCA-UHFFFAOYSA-N 0 1 262.401 2.614 20 30 CFEDMN CCc1ccc(CN2CCN(CCCC#N)CC2)s1 ZINC000156775276 347996175 /nfs/dbraw/zinc/99/61/75/347996175.db2.gz NDUHAAOVRDZIGZ-UHFFFAOYSA-N 0 1 277.437 2.732 20 30 CFEDMN COC(=O)C[C@H]1CCCCN1Cc1cccc(C#N)c1F ZINC000223529008 348174758 /nfs/dbraw/zinc/17/47/58/348174758.db2.gz ZIRYSWZXYJZHDK-CQSZACIVSA-N 0 1 290.338 2.615 20 30 CFEDMN Cc1cc(C#N)ccc1CN1CCC(C)(C#N)CC1 ZINC000230226279 348205124 /nfs/dbraw/zinc/20/51/24/348205124.db2.gz SMOVJCZDNPFZLW-UHFFFAOYSA-N 0 1 253.349 2.992 20 30 CFEDMN CCN1CCN(c2c(C#N)cnc3ccccc32)C[C@H]1C ZINC000250324791 348286980 /nfs/dbraw/zinc/28/69/80/348286980.db2.gz NRFOFHPMVILBPG-CYBMUJFWSA-N 0 1 280.375 2.637 20 30 CFEDMN N#C[C@@H]1CC[C@@H](N2CCC3(C2)Oc2ccccc2O3)C1 ZINC000293545821 348362782 /nfs/dbraw/zinc/36/27/82/348362782.db2.gz KQPNZURFSQHCRE-CHWSQXEVSA-N 0 1 270.332 2.552 20 30 CFEDMN CC1(C#N)CCN(Cc2ccc(-c3cc[nH]n3)o2)CC1 ZINC000335757645 348449743 /nfs/dbraw/zinc/44/97/43/348449743.db2.gz FIMRMTOSRJEYPC-UHFFFAOYSA-N 0 1 270.336 2.795 20 30 CFEDMN C#C[C@H](NCc1nc2c(s1)CN(C(C)C)CC2)C(C)C ZINC000367722628 348515027 /nfs/dbraw/zinc/51/50/27/348515027.db2.gz BCAXLXWEZARTFV-ZDUSSCGKSA-N 0 1 291.464 2.657 20 30 CFEDMN CC[C@@H]1CN(Cc2ccc(CC#N)cc2)[C@H](C)CO1 ZINC000403843640 348587502 /nfs/dbraw/zinc/58/75/02/348587502.db2.gz QBVJCFUAJKFXPW-CZUORRHYSA-N 0 1 258.365 2.752 20 30 CFEDMN CC[C@@H]1CN(CCCOc2cccc(C#N)c2)[C@H](C)CO1 ZINC000403836541 348587513 /nfs/dbraw/zinc/58/75/13/348587513.db2.gz OOWHSJGCPYKTDH-GDBMZVCRSA-N 0 1 288.391 2.826 20 30 CFEDMN CC[C@H]1CN(Cc2ccc(C#N)cc2)[C@@H](CC)CO1 ZINC000403898230 348588279 /nfs/dbraw/zinc/58/82/79/348588279.db2.gz ULGSZESYXFAKEI-HOTGVXAUSA-N 0 1 258.365 2.948 20 30 CFEDMN C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1NCC(C)(C)C#N ZINC000405219081 348596679 /nfs/dbraw/zinc/59/66/79/348596679.db2.gz KNCUTIUQKAUDKZ-GDBMZVCRSA-N 0 1 271.408 2.646 20 30 CFEDMN COc1ccc(CN2CCC(CC#N)CC2)c(F)c1 ZINC000397401492 348561348 /nfs/dbraw/zinc/56/13/48/348561348.db2.gz UKQOYOIYJSTCHO-UHFFFAOYSA-N 0 1 262.328 2.960 20 30 CFEDMN COc1ccccc1OCCN1CCC[C@@H](CC#N)C1 ZINC000397710069 348563633 /nfs/dbraw/zinc/56/36/33/348563633.db2.gz UTEDNYKDOMTGOH-AWEZNQCLSA-N 0 1 274.364 2.700 20 30 CFEDMN C=C(C)CN(CC)CC(=O)NCCCOC1CCCCC1 ZINC000513756839 348639508 /nfs/dbraw/zinc/63/95/08/348639508.db2.gz VSKBQOSBWWWFAD-UHFFFAOYSA-N 0 1 296.455 2.740 20 30 CFEDMN CCOC(=O)c1ccc(CN[C@@H]2CCC[C@@H](C#N)C2)o1 ZINC000589196921 348819307 /nfs/dbraw/zinc/81/93/07/348819307.db2.gz GNRBGQHPEPRWHQ-VXGBXAGGSA-N 0 1 276.336 2.628 20 30 CFEDMN COCCN(CCC#N)C[C@@H]1CC(C)=C[C@@H](C)C1 ZINC000589498538 348836400 /nfs/dbraw/zinc/83/64/00/348836400.db2.gz XWTQNHMEQJJMGV-HIFRSBDPSA-N 0 1 250.386 2.841 20 30 CFEDMN N#Cc1ccc2c(c1)CCC[C@H]2NCc1n[nH]c(C2CC2)n1 ZINC000590779085 348948155 /nfs/dbraw/zinc/94/81/55/348948155.db2.gz GKUYWHVGDGABRI-OAHLLOKOSA-N 0 1 293.374 2.721 20 30 CFEDMN N#CC1(CCN(CC(N)=O)C2CCCC2)CCCCC1 ZINC000591013271 348978082 /nfs/dbraw/zinc/97/80/82/348978082.db2.gz QOFKHCHYAWVCQT-UHFFFAOYSA-N 0 1 277.412 2.580 20 30 CFEDMN CCCCCNC(=O)CN[C@@H](C)c1cccc(C#N)c1 ZINC000591022997 348979462 /nfs/dbraw/zinc/97/94/62/348979462.db2.gz PBAFYRVBALYBLA-ZDUSSCGKSA-N 0 1 273.380 2.515 20 30 CFEDMN C[C@H](CCC#N)N1CCC([C@@](C)(O)C(F)(F)F)CC1 ZINC000591028199 348980180 /nfs/dbraw/zinc/98/01/80/348980180.db2.gz ASWDFTSTGWAHTF-ZYHUDNBSSA-N 0 1 278.318 2.704 20 30 CFEDMN CCO[C@@H]1C[C@H](NCc2ccc(C#N)cc2F)[C@@H]1SC ZINC000590956303 348972257 /nfs/dbraw/zinc/97/22/57/348972257.db2.gz KDCNXPFVXKNNNN-ZNMIVQPWSA-N 0 1 294.395 2.696 20 30 CFEDMN CC(C)(C#N)CNC[C@@H](O)Cc1ccc2ccccc2c1 ZINC000591759377 349041930 /nfs/dbraw/zinc/04/19/30/349041930.db2.gz KTDLMCIAXPJZGW-KRWDZBQOSA-N 0 1 282.387 2.883 20 30 CFEDMN N#CCC[C@H](C#N)CN[C@@H](c1ccccc1)[C@@H]1CCOC1 ZINC000591757641 349042247 /nfs/dbraw/zinc/04/22/47/349042247.db2.gz RVNLNWYGNRFLDZ-OIISXLGYSA-N 0 1 283.375 2.797 20 30 CFEDMN Cc1cccc(NC(=O)C[C@@H](C)NCC2(C#N)CCC2)c1 ZINC000591357613 349011599 /nfs/dbraw/zinc/01/15/99/349011599.db2.gz DDSKBGKVNHNISD-CQSZACIVSA-N 0 1 285.391 2.996 20 30 CFEDMN CCC1(CC)[C@H](NCc2ccncc2C#N)C[C@H]1OC ZINC000592111916 349084105 /nfs/dbraw/zinc/08/41/05/349084105.db2.gz JWAJHHFIWFQZKU-HUUCEWRRSA-N 0 1 273.380 2.637 20 30 CFEDMN C[C@@H]1CCC[C@H](C)N1C(=O)CN1CCC(CCC#N)CC1 ZINC000592135864 349089115 /nfs/dbraw/zinc/08/91/15/349089115.db2.gz IXMOJGCMUASUKJ-GASCZTMLSA-N 0 1 291.439 2.792 20 30 CFEDMN CCN(CCSC)Cc1cc(C#N)ccc1F ZINC000592198052 349097310 /nfs/dbraw/zinc/09/73/10/349097310.db2.gz HOIOLHXIEAJVLF-UHFFFAOYSA-N 0 1 252.358 2.882 20 30 CFEDMN C[C@H](N[C@@H]1CC[C@H](C#N)C1)c1cc2n(n1)CCCC2 ZINC000592391082 349113339 /nfs/dbraw/zinc/11/33/39/349113339.db2.gz SXHYFHVKFJHVKB-RWMBFGLXSA-N 0 1 258.369 2.562 20 30 CFEDMN C[C@H]1CCCN(Cc2ccc(C#N)cc2[N+](=O)[O-])C1 ZINC000592996132 349182830 /nfs/dbraw/zinc/18/28/30/349182830.db2.gz PQOCQECHVRVQAB-NSHDSACASA-N 0 1 259.309 2.698 20 30 CFEDMN CC[C@H]1CN(CCCC2(C#N)CCOCC2)[C@@H](C)CO1 ZINC000593063774 349199179 /nfs/dbraw/zinc/19/91/79/349199179.db2.gz WQNBVZYMPKYHGH-GJZGRUSLSA-N 0 1 280.412 2.586 20 30 CFEDMN CN(CCc1ccccc1[N+](=O)[O-])Cc1ccc(C#N)cn1 ZINC000593987485 349346259 /nfs/dbraw/zinc/34/62/59/349346259.db2.gz UNEADIJBFKSSHB-UHFFFAOYSA-N 0 1 296.330 2.536 20 30 CFEDMN COC[C@H](Cc1ccccc1)NCC1(C#N)CCCC1 ZINC000593653641 349305273 /nfs/dbraw/zinc/30/52/73/349305273.db2.gz UMKNXMQXOWVZMT-INIZCTEOSA-N 0 1 272.392 2.918 20 30 CFEDMN CCN(C)[C@@H](C(=O)NCC1(C#N)CCCC1)c1ccccc1 ZINC000593777713 349324295 /nfs/dbraw/zinc/32/42/95/349324295.db2.gz AGGRJVMWVSSKMW-MRXNPFEDSA-N 0 1 299.418 2.880 20 30 CFEDMN C[C@H](O)CN(Cc1ccc(C#N)cc1Cl)C1CC1 ZINC000594063054 349367337 /nfs/dbraw/zinc/36/73/37/349367337.db2.gz IEHZBXKJYJHMFV-JTQLQIEISA-N 0 1 264.756 2.557 20 30 CFEDMN C[C@H](CC#N)C(=O)N1CCN(Cc2ccccc2)C(C)(C)C1 ZINC000597160237 350042099 /nfs/dbraw/zinc/04/20/99/350042099.db2.gz ARCYTSILEQGNPD-OAHLLOKOSA-N 0 1 299.418 2.659 20 30 CFEDMN COc1cc(CN2CCC[C@H](CC#N)C2)cc(OC)c1 ZINC000597173859 350044418 /nfs/dbraw/zinc/04/44/18/350044418.db2.gz LXPZPLFGZQJHNB-CYBMUJFWSA-N 0 1 274.364 2.829 20 30 CFEDMN COc1ccc(CN2CCC[C@H](CC#N)C2)cc1O ZINC000597175124 350044719 /nfs/dbraw/zinc/04/47/19/350044719.db2.gz WYHBCBPRRPEAFK-GFCCVEGCSA-N 0 1 260.337 2.526 20 30 CFEDMN COc1cc(C)c(CN2CCC[C@H](CC#N)C2)c(C)n1 ZINC000597177861 350045529 /nfs/dbraw/zinc/04/55/29/350045529.db2.gz RHCMQGLANRVFNU-CQSZACIVSA-N 0 1 273.380 2.833 20 30 CFEDMN Cc1ccc(CN2CC(CC#N)C2)c(-c2cnn(C)c2)c1 ZINC000597204218 350055264 /nfs/dbraw/zinc/05/52/64/350055264.db2.gz ULTMJUQEMGRTRX-UHFFFAOYSA-N 0 1 280.375 2.741 20 30 CFEDMN COC(=O)c1ccc(CN[C@@H]2CCC[C@H](C#N)C2)c(F)c1 ZINC000597223636 350062279 /nfs/dbraw/zinc/06/22/79/350062279.db2.gz ZJCWWQQGMUPTHK-SMDDNHRTSA-N 0 1 290.338 2.784 20 30 CFEDMN N#CC1(CC(=O)Nc2nc(C3CCC3)n[nH]2)CCCCC1 ZINC000597502467 350106169 /nfs/dbraw/zinc/10/61/69/350106169.db2.gz UONBSHAHGHPOPN-UHFFFAOYSA-N 0 1 287.367 2.875 20 30 CFEDMN N#CC1(CC(=O)Nc2n[nH]c(C3CCC3)n2)CCCCC1 ZINC000597502467 350106173 /nfs/dbraw/zinc/10/61/73/350106173.db2.gz UONBSHAHGHPOPN-UHFFFAOYSA-N 0 1 287.367 2.875 20 30 CFEDMN C[C@H](Oc1ccccc1C#N)c1nc(C2(N)CCCC2)no1 ZINC000414612833 233302330 /nfs/dbraw/zinc/30/23/30/233302330.db2.gz FFQNGUINWZSJBP-NSHDSACASA-N 0 1 298.346 2.809 20 30 CFEDMN N#Cc1cccc(OC2CCN(Cc3cccnc3)CC2)c1 ZINC000104712568 186018782 /nfs/dbraw/zinc/01/87/82/186018782.db2.gz NHXNPZXVQLMAJX-UHFFFAOYSA-N 0 1 293.370 2.997 20 30 CFEDMN N#CC1(CNC(=O)c2cccc3nc[nH]c32)CCCCC1 ZINC000598311041 350231894 /nfs/dbraw/zinc/23/18/94/350231894.db2.gz UJCFBVBEAHBUQA-UHFFFAOYSA-N 0 1 282.347 2.767 20 30 CFEDMN CCN(C(=O)c1cc(-c2ccc(C)cc2)[nH]n1)[C@@H](C)C#N ZINC000598350632 350243586 /nfs/dbraw/zinc/24/35/86/350243586.db2.gz QPSXWOUHOHSNEC-LBPRGKRZSA-N 0 1 282.347 2.759 20 30 CFEDMN CC(C)(C#N)C[C@@H](O)CN1CC[C@H]1c1cccc(F)c1 ZINC000598591367 350288428 /nfs/dbraw/zinc/28/84/28/350288428.db2.gz AJQULEBPJAZFBC-CABCVRRESA-N 0 1 276.355 2.873 20 30 CFEDMN CC[C@](C)(NC[C@@H](O)CC(C)(C)C#N)c1nccs1 ZINC000598594873 350289072 /nfs/dbraw/zinc/28/90/72/350289072.db2.gz FTZJCDVHDFMWRE-FZMZJTMJSA-N 0 1 281.425 2.659 20 30 CFEDMN C[C@@H]1CN(C)[C@H](C)[C@H](C)N1C(=O)CC1(C#N)CCCCC1 ZINC000598846423 350338828 /nfs/dbraw/zinc/33/88/28/350338828.db2.gz IEMHPYXSRTWYKF-KFWWJZLASA-N 0 1 291.439 2.790 20 30 CFEDMN CCN(Cc1cnn(C)c1)Cc1ccc(C)c(C#N)c1 ZINC000599283085 350406021 /nfs/dbraw/zinc/40/60/21/350406021.db2.gz ZSWNYHGVHPCDOS-UHFFFAOYSA-N 0 1 268.364 2.622 20 30 CFEDMN COc1cccc(F)c1[C@@H](C)NC[C@@H](O)CC1(C#N)CC1 ZINC000599355911 350422601 /nfs/dbraw/zinc/42/26/01/350422601.db2.gz KBRDFWSEGXRKMJ-NEPJUHHUSA-N 0 1 292.354 2.540 20 30 CFEDMN C=CCC[C@H](O)CN1CCC[C@]1(C)C(=O)OC(C)(C)C ZINC000599496035 350446059 /nfs/dbraw/zinc/44/60/59/350446059.db2.gz RSGALEKVRIXHAZ-XJKSGUPXSA-N 0 1 283.412 2.510 20 30 CFEDMN C=CC[C@@H]1CCN(Cc2nc3cc(C(=O)OC)ccc3[nH]2)C1 ZINC000599529310 350451326 /nfs/dbraw/zinc/45/13/26/350451326.db2.gz MAYMIJRJQUPYRL-GFCCVEGCSA-N 0 1 299.374 2.748 20 30 CFEDMN CC(C)(C#N)CCCCN1CCO[C@@H](CCF)C1 ZINC000599633983 350469297 /nfs/dbraw/zinc/46/92/97/350469297.db2.gz DNVYMMXXCUYTGZ-ZDUSSCGKSA-N 0 1 256.365 2.767 20 30 CFEDMN N#Cc1ccc(OCCNCc2cnc(C3CC3)o2)cc1 ZINC000600131453 350517026 /nfs/dbraw/zinc/51/70/26/350517026.db2.gz XNVBTFCFMHKBTP-UHFFFAOYSA-N 0 1 283.331 2.592 20 30 CFEDMN Cc1ccc(C[N@H+]2CCCC[C@H]2CC(=O)[O-])cc1C#N ZINC000600710136 350599324 /nfs/dbraw/zinc/59/93/24/350599324.db2.gz SHMSWALYEBYCAG-HNNXBMFYSA-N 0 1 272.348 2.696 20 30 CFEDMN CN(CC(=O)N[C@@H]1CCCc2cc(C#N)ccc21)C1CCC1 ZINC000600830168 350617866 /nfs/dbraw/zinc/61/78/66/350617866.db2.gz RIKNUBMFXASXOT-QGZVFWFLSA-N 0 1 297.402 2.536 20 30 CFEDMN N#Cc1ccc([N+](=O)[O-])c(NCc2ccc3nc[nH]c3c2)c1 ZINC000600849410 350619107 /nfs/dbraw/zinc/61/91/07/350619107.db2.gz CYIRJEAOVXEHOM-UHFFFAOYSA-N 0 1 293.286 2.955 20 30 CFEDMN N#Cc1ccc(NCc2ccc3nc[nH]c3c2)cc1[N+](=O)[O-] ZINC000600852586 350619834 /nfs/dbraw/zinc/61/98/34/350619834.db2.gz PYSQRKWYOZSSAP-UHFFFAOYSA-N 0 1 293.286 2.955 20 30 CFEDMN N#Cc1cnc(N2CCCc3[nH]ncc3C2)c2sccc21 ZINC000601199798 350695607 /nfs/dbraw/zinc/69/56/07/350695607.db2.gz YIJIOWJDXHOPBR-UHFFFAOYSA-N 0 1 295.371 2.844 20 30 CFEDMN Cc1[nH]n([C@H](C)COc2ccccc2)c(=O)c1CCC#N ZINC000601947200 350814674 /nfs/dbraw/zinc/81/46/74/350814674.db2.gz SPMPDPRXDSIKMF-DOMZBBRYSA-N 0 1 285.347 2.592 20 30 CFEDMN CC(C)(C)c1[nH]ncc1C(=O)Nc1cc(F)cc(C#N)c1 ZINC000601713035 350766747 /nfs/dbraw/zinc/76/67/47/350766747.db2.gz ZWBCEQPXFOHYCR-UHFFFAOYSA-N 0 1 286.310 2.970 20 30 CFEDMN CCCN1CCC[C@H]1C(=O)Nc1cc(F)cc(C#N)c1 ZINC000601713646 350767633 /nfs/dbraw/zinc/76/76/33/350767633.db2.gz FTXIQYIHCJADMW-AWEZNQCLSA-N 0 1 275.327 2.510 20 30 CFEDMN C[C@@H](C(=O)Nc1cc(F)cc(C#N)c1)N1[C@H](C)CC[C@@H]1C ZINC000601715678 350768437 /nfs/dbraw/zinc/76/84/37/350768437.db2.gz OBLTYLCZHDEPNP-TUAOUCFPSA-N 0 1 289.354 2.897 20 30 CFEDMN CN(C(=O)c1cnc(-c2ccccc2)[nH]1)[C@@H]1CCC[C@H]1C#N ZINC000601810970 350781681 /nfs/dbraw/zinc/78/16/81/350781681.db2.gz APRXWQCBKPNMCI-DZGCQCFKSA-N 0 1 294.358 2.841 20 30 CFEDMN Cc1[nH]n(-c2ccnc3ccccc32)c(=O)c1CCC#N ZINC000601938846 350810317 /nfs/dbraw/zinc/81/03/17/350810317.db2.gz KPTJIQAXPBJJKA-LBPRGKRZSA-N 0 1 278.315 2.877 20 30 CFEDMN Cc1ccccc1C[C@@H](CO)NCc1cccc(F)c1C#N ZINC000602017039 350833160 /nfs/dbraw/zinc/83/31/60/350833160.db2.gz LGBPSFYCOJKRQF-INIZCTEOSA-N 0 1 298.361 2.699 20 30 CFEDMN CC(C)CC[C@@H](CO)NCc1cccc(F)c1C#N ZINC000602016995 350833280 /nfs/dbraw/zinc/83/32/80/350833280.db2.gz LDARLEHYTDIUBE-ZDUSSCGKSA-N 0 1 264.344 2.584 20 30 CFEDMN N#Cc1c(F)cccc1CNCC1(O)CCC(F)(F)CC1 ZINC000602029846 350835868 /nfs/dbraw/zinc/83/58/68/350835868.db2.gz ZABACKKKILPLJF-UHFFFAOYSA-N 0 1 298.308 2.727 20 30 CFEDMN CO[C@@H](CNCc1cccc(F)c1C#N)C1CCCC1 ZINC000602029906 350836237 /nfs/dbraw/zinc/83/62/37/350836237.db2.gz ZKIMNIDUGZYUOR-INIZCTEOSA-N 0 1 276.355 2.992 20 30 CFEDMN C[C@H](C(=O)N[C@@H](C#N)c1ccc(C(C)(C)C)cc1)N(C)C ZINC000602096971 350840262 /nfs/dbraw/zinc/84/02/62/350840262.db2.gz OSAYIGZWTPLKQZ-DOMZBBRYSA-N 0 1 287.407 2.615 20 30 CFEDMN Cc1[nH]ncc1CN(C)C(=O)c1ccc(C2(C#N)CC2)cc1 ZINC000602170646 350849349 /nfs/dbraw/zinc/84/93/49/350849349.db2.gz CBDPPPMFMPJWFO-UHFFFAOYSA-N 0 1 294.358 2.546 20 30 CFEDMN N#CC1(CNC(=O)[C@H]2CCN2C2CCCC2)CCCCC1 ZINC000602183491 350850129 /nfs/dbraw/zinc/85/01/29/350850129.db2.gz NCTHUYHWTOHCLF-OAHLLOKOSA-N 0 1 289.423 2.594 20 30 CFEDMN N#Cc1c(F)cccc1CNCCCOCC1CC1 ZINC000601999808 350826778 /nfs/dbraw/zinc/82/67/78/350826778.db2.gz SWEOSXUNIAQPHE-UHFFFAOYSA-N 0 1 262.328 2.604 20 30 CFEDMN CC[C@H](C)[C@](C)(O)CNCc1cccc(F)c1C#N ZINC000602005602 350827938 /nfs/dbraw/zinc/82/79/38/350827938.db2.gz JVOKIKOYJMQPID-XHDPSFHLSA-N 0 1 264.344 2.584 20 30 CFEDMN C[C@H](NCc1cccc(C#N)n1)c1ccc2c(c1)OCO2 ZINC000602510315 350910476 /nfs/dbraw/zinc/91/04/76/350910476.db2.gz LWTGEOKRIYDTEG-NSHDSACASA-N 0 1 281.315 2.533 20 30 CFEDMN N#Cc1cccc(CN[C@@H]2CCc3c2cccc3F)n1 ZINC000602522406 350914092 /nfs/dbraw/zinc/91/40/92/350914092.db2.gz TYWIBXIEBPCNCC-MRXNPFEDSA-N 0 1 267.307 2.869 20 30 CFEDMN N#Cc1cccc(CN[C@@H](c2ccccc2)[C@@H]2CCOC2)n1 ZINC000602580989 350933700 /nfs/dbraw/zinc/93/37/00/350933700.db2.gz GIRRMZRGRQNZIQ-QAPCUYQASA-N 0 1 293.370 2.821 20 30 CFEDMN CO[C@@H](c1ccccc1F)[C@H](C)NCc1cccc(C#N)n1 ZINC000602582054 350933739 /nfs/dbraw/zinc/93/37/39/350933739.db2.gz MTZJBIUDBQAPHF-YVEFUNNKSA-N 0 1 299.349 2.958 20 30 CFEDMN C[C@H](CCC#N)CN1CCO[C@H](Cc2ccccc2)C1 ZINC000602586118 350936659 /nfs/dbraw/zinc/93/66/59/350936659.db2.gz ZMCLBJMMTXPRCJ-NVXWUHKLSA-N 0 1 272.392 2.870 20 30 CFEDMN C[C@@H](CCC#N)C[N@H+]1CCC[C@H](OCC(F)(F)F)C1 ZINC000602446240 350886103 /nfs/dbraw/zinc/88/61/03/350886103.db2.gz ZMZIFCDWCJKRTB-RYUDHWBXSA-N 0 1 278.318 2.970 20 30 CFEDMN C[C@H](CCC#N)CN1CCc2nnn(C3CC(C)C3)c2C1 ZINC000602739996 351010114 /nfs/dbraw/zinc/01/01/14/351010114.db2.gz PHJCDJGTXVSARX-IYXRBSQSSA-N 0 1 287.411 2.547 20 30 CFEDMN C[C@H](CC1(C#N)CCOCC1)N[C@@H]1C[C@@H](C)n2ccnc21 ZINC000602681734 350976057 /nfs/dbraw/zinc/97/60/57/350976057.db2.gz LEPHKJUWWROFHO-MGPQQGTHSA-N 0 1 288.395 2.577 20 30 CFEDMN Cc1ncc([C@@H](C)NCc2cnc3ccc(C#N)cn23)s1 ZINC000602737089 351008402 /nfs/dbraw/zinc/00/84/02/351008402.db2.gz SZNMPKHXNIWVNT-SNVBAGLBSA-N 0 1 297.387 2.822 20 30 CFEDMN CC(C)[C@@H](O)[C@H](NCc1cccc(C#N)n1)c1ccccc1 ZINC000602713364 350994976 /nfs/dbraw/zinc/99/49/76/350994976.db2.gz LXJGDTSCWJWUPK-QZTJIDSGSA-N 0 1 295.386 2.801 20 30 CFEDMN N#Cc1cccc(CN2CCCC(F)(F)CC2)n1 ZINC000602721603 350999889 /nfs/dbraw/zinc/99/98/89/350999889.db2.gz RCGFKLQQVVJUAF-UHFFFAOYSA-N 0 1 251.280 2.574 20 30 CFEDMN C[C@@H](CCC#N)CN1CCOc2cc(F)ccc2C1 ZINC000602730576 351003913 /nfs/dbraw/zinc/00/39/13/351003913.db2.gz QNBTUWPGFREWPC-LBPRGKRZSA-N 0 1 262.328 2.960 20 30 CFEDMN COc1ccc([C@H](NCc2cccc(C#N)n2)C2CC2)cn1 ZINC000602732138 351004535 /nfs/dbraw/zinc/00/45/35/351004535.db2.gz ZMJZIYVRQAAETH-QGZVFWFLSA-N 0 1 294.358 2.598 20 30 CFEDMN C[C@H](CCC#N)CN1CCO[C@@H](COc2ccccc2)C1 ZINC000602634400 350955515 /nfs/dbraw/zinc/95/55/15/350955515.db2.gz OZRLOVJGLFFBIU-NVXWUHKLSA-N 0 1 288.391 2.706 20 30 CFEDMN CC[N@@H+](C[C@@H]1CCc2ncnn21)[C@@H](C)c1ccc(C#N)cc1 ZINC000602765559 351017270 /nfs/dbraw/zinc/01/72/70/351017270.db2.gz VJDPNHXVSMOAMU-BBRMVZONSA-N 0 1 295.390 2.720 20 30 CFEDMN COc1cc(CN(C)CC2(CC#N)CC2)ccc1O ZINC000602773416 351020465 /nfs/dbraw/zinc/02/04/65/351020465.db2.gz RQQLUFLWIXPIJZ-UHFFFAOYSA-N 0 1 260.337 2.526 20 30 CFEDMN C[C@H]1CN(CC2(CC#N)CC2)Cc2ccccc2O1 ZINC000602842361 351042796 /nfs/dbraw/zinc/04/27/96/351042796.db2.gz UTSVWOOMSGKHOI-ZDUSSCGKSA-N 0 1 256.349 2.963 20 30 CFEDMN COc1cccc([C@H](C)N2C[C@@H](C)N(CC#N)[C@@H](C)C2)c1 ZINC000602852831 351045897 /nfs/dbraw/zinc/04/58/97/351045897.db2.gz DJEVHMQSSGUZCX-ZNMIVQPWSA-N 0 1 287.407 2.674 20 30 CFEDMN N#Cc1ccc(CN2CCC[C@@H](n3ccnn3)CC2)c(F)c1 ZINC000602888631 351058258 /nfs/dbraw/zinc/05/82/58/351058258.db2.gz PENIAYRAGYTIFK-OAHLLOKOSA-N 0 1 299.353 2.516 20 30 CFEDMN N#Cc1ccc(C2CCN(Cc3cncs3)CC2)nc1 ZINC000602907172 351062282 /nfs/dbraw/zinc/06/22/82/351062282.db2.gz OTGUHBMMNFUUMM-UHFFFAOYSA-N 0 1 284.388 2.789 20 30 CFEDMN CC(C)CCO[C@@H]1CC[N@@H+](CC2(CC#N)CC2)C1 ZINC000602908506 351063196 /nfs/dbraw/zinc/06/31/96/351063196.db2.gz VGVAUDQBUOSZFV-CQSZACIVSA-N 0 1 250.386 2.817 20 30 CFEDMN CC(C)CCN(CCC#N)C(=O)c1cc(C(F)F)[nH]n1 ZINC000602924886 351068232 /nfs/dbraw/zinc/06/82/32/351068232.db2.gz JVVMCCSUAKWJKV-UHFFFAOYSA-N 0 1 284.310 2.749 20 30 CFEDMN CN(CCc1ccc2c(c1)CCO2)[C@H]1CCC[C@H]1C#N ZINC000602978311 351079170 /nfs/dbraw/zinc/07/91/70/351079170.db2.gz OQVWMSNZWNSUNX-HOTGVXAUSA-N 0 1 270.376 2.788 20 30 CFEDMN Cc1ccccc1NC(=O)CCN(C)[C@H]1CCC[C@H]1C#N ZINC000602979428 351079998 /nfs/dbraw/zinc/07/99/98/351079998.db2.gz DDXUVZGZJPXFNL-HOCLYGCPSA-N 0 1 285.391 2.948 20 30 CFEDMN CN(Cc1cccc(-n2cccn2)c1)[C@H]1CCC[C@@H]1C#N ZINC000602979840 351081440 /nfs/dbraw/zinc/08/14/40/351081440.db2.gz IHYICMOILXYDFB-WBVHZDCISA-N 0 1 280.375 2.996 20 30 CFEDMN CCc1cc(CCCN(C)[C@H]2CCC[C@H]2C#N)on1 ZINC000602982676 351084357 /nfs/dbraw/zinc/08/43/57/351084357.db2.gz WNJXLGJSEMOJCD-WFASDCNBSA-N 0 1 261.369 2.794 20 30 CFEDMN CCc1nc([C@@H](C)Nc2snc(Cl)c2C#N)n[nH]1 ZINC000271425276 191130102 /nfs/dbraw/zinc/13/01/02/191130102.db2.gz VRCRGJPEVNMCLX-RXMQYKEDSA-N 0 1 282.760 2.522 20 30 CFEDMN N#CCCN(C(=O)CN1C2CCC1CC2)c1ccccc1 ZINC000603661752 351177444 /nfs/dbraw/zinc/17/74/44/351177444.db2.gz WDIYNLJJQLYHKG-UHFFFAOYSA-N 0 1 283.375 2.560 20 30 CFEDMN CCN(CCSC)Cc1ccc(C#N)cc1F ZINC000603681098 351178387 /nfs/dbraw/zinc/17/83/87/351178387.db2.gz JGVLCDURDWUTAL-UHFFFAOYSA-N 0 1 252.358 2.882 20 30 CFEDMN CCN(CCC#N)C(=O)CN(C)[C@H]1CCCc2ccccc21 ZINC000603846551 351185577 /nfs/dbraw/zinc/18/55/77/351185577.db2.gz KIMXIAUFZBJWJV-KRWDZBQOSA-N 0 1 299.418 2.758 20 30 CFEDMN Cc1[nH]n(-c2cccc3ncccc32)c(=O)c1CCC#N ZINC000603920675 351191333 /nfs/dbraw/zinc/19/13/33/351191333.db2.gz BKHNUEPGIZJPBC-GFCCVEGCSA-N 0 1 278.315 2.877 20 30 CFEDMN CC#CCN1CCC(N2c3ccccc3C[C@H]2C)CC1 ZINC000607727849 351356396 /nfs/dbraw/zinc/35/63/96/351356396.db2.gz SYTQLHXWWOSIPJ-OAHLLOKOSA-N 0 1 268.404 2.925 20 30 CFEDMN C=C(C)CN(CC)C(=O)[C@@H](C)N1C[C@@H](C)S[C@@H](C)C1 ZINC000608502817 351448277 /nfs/dbraw/zinc/44/82/77/351448277.db2.gz CGMNGSVYNIYZQJ-HZSPNIEDSA-N 0 1 284.469 2.625 20 30 CFEDMN CC1(C)CN(Cc2cccc(C#N)c2)C(C)(C)CO1 ZINC000609671885 351515006 /nfs/dbraw/zinc/51/50/06/351515006.db2.gz OCWNHOLVAVEURA-UHFFFAOYSA-N 0 1 258.365 2.948 20 30 CFEDMN CCN(CC)Cc1ccc(C(=O)N[C@H](C#N)C(C)(C)C)o1 ZINC000610659846 351589408 /nfs/dbraw/zinc/58/94/08/351589408.db2.gz HFTUTWBUFXAPJM-CQSZACIVSA-N 0 1 291.395 2.789 20 30 CFEDMN C[C@H](NC(=O)[C@H]1CCCc2[nH]ncc21)c1cccc(C#N)c1 ZINC000610712194 351595677 /nfs/dbraw/zinc/59/56/77/351595677.db2.gz YQKVQCAVPSHGBT-FZMZJTMJSA-N 0 1 294.358 2.579 20 30 CFEDMN N#Cc1ccc(CN2CC[C@H](OCc3ccccn3)C2)cc1 ZINC000610765514 351605672 /nfs/dbraw/zinc/60/56/72/351605672.db2.gz ALAQFXUIDOZAEZ-SFHVURJKSA-N 0 1 293.370 2.744 20 30 CFEDMN CCC(C)(C)NC(=O)[C@@H](C)N[C@H](C)c1cccc(C#N)c1 ZINC000610343198 351555911 /nfs/dbraw/zinc/55/59/11/351555911.db2.gz BAIXDTREPICGNZ-CHWSQXEVSA-N 0 1 287.407 2.902 20 30 CFEDMN C[C@@H]([C@H]1Cc2ccccc2O1)N(C)Cc1ccnc(C#N)c1 ZINC000610995091 351632704 /nfs/dbraw/zinc/63/27/04/351632704.db2.gz DQVPFQWWOQXMQL-SCLBCKFNSA-N 0 1 293.370 2.777 20 30 CFEDMN C[C@H](C#N)CN(Cc1[nH]nc2ccccc21)C1CC1 ZINC000611276117 351662748 /nfs/dbraw/zinc/66/27/48/351662748.db2.gz NEARCVMKTDPVHF-LLVKDONJSA-N 0 1 254.337 2.687 20 30 CFEDMN Cc1n[nH]cc1CN(C)[C@H](C)c1ccc(C#N)cc1 ZINC000611254333 351657667 /nfs/dbraw/zinc/65/76/67/351657667.db2.gz SMJXXMBMXJVURA-GFCCVEGCSA-N 0 1 254.337 2.783 20 30 CFEDMN CN(Cc1ccnc(C#N)c1)C[C@@H]1OCCc2ccccc21 ZINC000610992227 351629984 /nfs/dbraw/zinc/62/99/84/351629984.db2.gz MFMMKHIJRCQSFQ-SFHVURJKSA-N 0 1 293.370 2.699 20 30 CFEDMN CN(CCOc1ccccc1F)Cc1ccnc(C#N)c1 ZINC000610991587 351630192 /nfs/dbraw/zinc/63/01/92/351630192.db2.gz RNRGOFXUUXUOAO-UHFFFAOYSA-N 0 1 285.322 2.603 20 30 CFEDMN N#Cc1cc(CN2CCS[C@H]3CCCC[C@@H]32)ccn1 ZINC000610994510 351631137 /nfs/dbraw/zinc/63/11/37/351631137.db2.gz IPQHPSSTFFGYFN-GJZGRUSLSA-N 0 1 273.405 2.813 20 30 CFEDMN COc1ccccc1C(C)(C)NCc1ccnc(C#N)c1 ZINC000610993260 351631675 /nfs/dbraw/zinc/63/16/75/351631675.db2.gz IODRICRGPALTQI-UHFFFAOYSA-N 0 1 281.359 2.987 20 30 CFEDMN C[C@H](NCc1ccnc(C#N)c1)c1ccc2c(c1)OCO2 ZINC000611377248 351677992 /nfs/dbraw/zinc/67/79/92/351677992.db2.gz AZLXUOVGVUZQLT-NSHDSACASA-N 0 1 281.315 2.533 20 30 CFEDMN N#Cc1cc(CNC2(c3cccc(F)c3)CC2)ccn1 ZINC000611396325 351682155 /nfs/dbraw/zinc/68/21/55/351682155.db2.gz AMINQLOAVNSZBS-UHFFFAOYSA-N 0 1 267.307 2.871 20 30 CFEDMN Cc1ccc(C#N)nc1NC[C@H](c1ccco1)N(C)C ZINC000611399145 351683264 /nfs/dbraw/zinc/68/32/64/351683264.db2.gz RFUNMQMRAKTKGS-CYBMUJFWSA-N 0 1 270.336 2.570 20 30 CFEDMN Cc1cc(CN[C@@H](C)c2ccc(C#N)c(F)c2)[nH]n1 ZINC000611465862 351693524 /nfs/dbraw/zinc/69/35/24/351693524.db2.gz WPIZONILKPVQQO-JTQLQIEISA-N 0 1 258.300 2.580 20 30 CFEDMN Cc1cc(CN[C@@H](C)c2ccc(C#N)c(F)c2)n[nH]1 ZINC000611465862 351693526 /nfs/dbraw/zinc/69/35/26/351693526.db2.gz WPIZONILKPVQQO-JTQLQIEISA-N 0 1 258.300 2.580 20 30 CFEDMN COc1ccnc(CN[C@H](C)c2cccc(C#N)c2)c1 ZINC000612118652 351778231 /nfs/dbraw/zinc/77/82/31/351778231.db2.gz SAAMUPGZQSUOLQ-GFCCVEGCSA-N 0 1 267.332 2.813 20 30 CFEDMN N#Cc1ccc(CN2CCC(n3cccn3)CC2)s1 ZINC000121943322 187006528 /nfs/dbraw/zinc/00/65/28/187006528.db2.gz NMBKAJRZOKJMPY-UHFFFAOYSA-N 0 1 272.377 2.653 20 30 CFEDMN C[C@H](c1cccc(C#N)c1)N1CCN(CCCF)CC1 ZINC000612544491 351833422 /nfs/dbraw/zinc/83/34/22/351833422.db2.gz MJRVHOIVKIDEFI-CQSZACIVSA-N 0 1 275.371 2.596 20 30 CFEDMN Cc1cc2c[nH]nc2c(C(=O)N2CCC[C@@](C)(C#N)C2)c1 ZINC000612368878 351809720 /nfs/dbraw/zinc/80/97/20/351809720.db2.gz OIVWPXCFOVEUEL-INIZCTEOSA-N 0 1 282.347 2.637 20 30 CFEDMN C[C@@H]1CC[C@@H](C)N1Cc1nnc(-c2ccc(C#N)cc2)o1 ZINC000123098814 187070745 /nfs/dbraw/zinc/07/07/45/187070745.db2.gz FILFYKFIRIYEEQ-VXGBXAGGSA-N 0 1 282.347 2.981 20 30 CFEDMN C#CCOc1ccc([C@H](C)NCc2c[nH]nc2C)cc1 ZINC000271445945 191143152 /nfs/dbraw/zinc/14/31/52/191143152.db2.gz DZMHJTKNWIYJRB-LBPRGKRZSA-N 0 1 269.348 2.581 20 30 CFEDMN COc1cccc(NC(=O)C[C@H](C)NCC(C)(C)C#N)c1 ZINC000612585956 351839653 /nfs/dbraw/zinc/83/96/53/351839653.db2.gz ZRPOETJBXYUOIL-LBPRGKRZSA-N 0 1 289.379 2.552 20 30 CFEDMN C[C@]1(C#N)CCCN(CCCC2CCOCC2)C1 ZINC000613620651 351988334 /nfs/dbraw/zinc/98/83/34/351988334.db2.gz CWIAEBJGGYIQOV-OAHLLOKOSA-N 0 1 250.386 2.819 20 30 CFEDMN COC[C@@H]1CCCN1Cc1ccc(C#N)cc1Cl ZINC000615227834 352170847 /nfs/dbraw/zinc/17/08/47/352170847.db2.gz WQHUEERQPAEABV-ZDUSSCGKSA-N 0 1 264.756 2.822 20 30 CFEDMN C=C(C)C[C@H](C)C(=O)NCc1ccc2nc[nH]c2c1 ZINC000615792437 352242238 /nfs/dbraw/zinc/24/22/38/352242238.db2.gz NZVLOAFHWDKNCY-NSHDSACASA-N 0 1 257.337 2.781 20 30 CFEDMN N#Cc1ccc(CN2CC[C@H](C(F)F)C2)cc1F ZINC000616768809 352428219 /nfs/dbraw/zinc/42/82/19/352428219.db2.gz PEYYSWDMUAPSBF-NSHDSACASA-N 0 1 254.255 2.784 20 30 CFEDMN C=CC[C@@H]1CCCC[C@H]1NC(=O)CCCCc1cn[nH]n1 ZINC000617042597 352478216 /nfs/dbraw/zinc/47/82/16/352478216.db2.gz TVNDONDJBNMHKI-UKRRQHHQSA-N 0 1 290.411 2.769 20 30 CFEDMN C=CC[C@@H]1CCCC[C@H]1NC(=O)CCc1cnc[nH]1 ZINC000617042900 352478288 /nfs/dbraw/zinc/47/82/88/352478288.db2.gz WYFWQVRWAJMRQO-TZMCWYRMSA-N 0 1 261.369 2.593 20 30 CFEDMN C=CC[C@@H]1CCCC[C@H]1NC(=O)[C@@H](C)Cc1cnc[nH]1 ZINC000617044455 352479914 /nfs/dbraw/zinc/47/99/14/352479914.db2.gz NREQERHQCSJHIJ-GZBFAFLISA-N 0 1 275.396 2.839 20 30 CFEDMN C=CCN(C(=O)c1cc(C)cc2c[nH]nc21)[C@@H](C)COC ZINC000617578511 352594501 /nfs/dbraw/zinc/59/45/01/352594501.db2.gz LMDRWSGZVIICTA-LBPRGKRZSA-N 0 1 287.363 2.534 20 30 CFEDMN C=CC[C@@H]1CCCN(C(=O)c2cc(C(F)(F)F)[nH]n2)C1 ZINC000617780494 352644293 /nfs/dbraw/zinc/64/42/93/352644293.db2.gz WHHDRVDFPWVBFL-SECBINFHSA-N 0 1 287.285 2.857 20 30 CFEDMN C=CC[C@H]1CCCN(C(=O)[C@@H]2CCCc3[nH]ncc32)C1 ZINC000617782611 352644841 /nfs/dbraw/zinc/64/48/41/352644841.db2.gz IZNKDFLDYHBCOH-QWHCGFSZSA-N 0 1 273.380 2.644 20 30 CFEDMN C=CC[C@@H]1CCCN(C(=O)c2cccc3c[nH]nc32)C1 ZINC000617787726 352647139 /nfs/dbraw/zinc/64/71/39/352647139.db2.gz VWAKSETYCYTCHL-GFCCVEGCSA-N 0 1 269.348 2.991 20 30 CFEDMN C=CCOc1cccc(CN2CCc3cn[nH]c3C2)c1 ZINC000678273545 539915037 /nfs/dbraw/zinc/91/50/37/539915037.db2.gz SCDIFMTXLVIROT-UHFFFAOYSA-N 0 1 269.348 2.533 20 30 CFEDMN C=CCC1(C(=O)N(C)CC2CN(C)C2)CCCCC1 ZINC000618189744 352734772 /nfs/dbraw/zinc/73/47/72/352734772.db2.gz USTAQCIABXHERF-UHFFFAOYSA-N 0 1 264.413 2.533 20 30 CFEDMN Cc1nc(N2CCOCC2)ccc1NC[C@@H](C)CCC#N ZINC000618888442 352905694 /nfs/dbraw/zinc/90/56/94/352905694.db2.gz YCVZVENJTWUQTL-ZDUSSCGKSA-N 0 1 288.395 2.578 20 30 CFEDMN CC(=O)Nc1cccc2c1CCN([C@@H]1CC[C@@H](C#N)C1)C2 ZINC000618903938 352908178 /nfs/dbraw/zinc/90/81/78/352908178.db2.gz RFAGAQMQTKEURU-UKRRQHHQSA-N 0 1 283.375 2.695 20 30 CFEDMN Cc1nc2c(cccc2C(=O)N2CCC[C@@](C)(C#N)C2)[nH]1 ZINC000619809531 353067336 /nfs/dbraw/zinc/06/73/36/353067336.db2.gz LIIWMEZXWPJFAR-INIZCTEOSA-N 0 1 282.347 2.637 20 30 CFEDMN COCCCn1nccc1CN[C@H](C)c1cccc(C#N)c1 ZINC000619798843 353067391 /nfs/dbraw/zinc/06/73/91/353067391.db2.gz FJJRIHMLFXNWBQ-CQSZACIVSA-N 0 1 298.390 2.642 20 30 CFEDMN C=C[C@@](C)(CC)C(=O)NC[C@H]1CCN1Cc1ccccc1 ZINC000620782659 353232554 /nfs/dbraw/zinc/23/25/54/353232554.db2.gz OFPDWAUEJVDWTJ-AEFFLSMTSA-N 0 1 286.419 2.979 20 30 CFEDMN CN(Cc1n[nH]c(C(C)(C)C)n1)Cc1ccc(C#N)cc1 ZINC000292512466 198315056 /nfs/dbraw/zinc/31/50/56/198315056.db2.gz DDBQAVMWIBMWAC-UHFFFAOYSA-N 0 1 283.379 2.606 20 30 CFEDMN CN(CC#Cc1ccc(F)cc1)C[C@H]1CCCCO1 ZINC000156303750 188253895 /nfs/dbraw/zinc/25/38/95/188253895.db2.gz RCFYGPHYZMZJFY-MRXNPFEDSA-N 0 1 261.340 2.678 20 30 CFEDMN C=CCOc1ccc(CNCc2cnn(C)c2C)cc1 ZINC000156541050 188268228 /nfs/dbraw/zinc/26/82/28/188268228.db2.gz UHAIWIHLLORLPS-UHFFFAOYSA-N 0 1 271.364 2.583 20 30 CFEDMN C=CCN(Cc1cncc(Cl)c1)[C@H](C)COC ZINC000621314218 353321753 /nfs/dbraw/zinc/32/17/53/353321753.db2.gz NVZLCZBNYPYRQP-LLVKDONJSA-N 0 1 254.761 2.758 20 30 CFEDMN CC1(C)CC[C@H](CO)N(CC#Cc2ccc(F)cc2)C1 ZINC000621380640 353346120 /nfs/dbraw/zinc/34/61/20/353346120.db2.gz ALQBIEOGUPDXPL-MRXNPFEDSA-N 0 1 275.367 2.660 20 30 CFEDMN C[C@H](N(C)Cc1ccc(Cl)cc1C#N)C(C)(C)O ZINC000295182366 199391816 /nfs/dbraw/zinc/39/18/16/199391816.db2.gz PWJBNBNWLAAWBC-JTQLQIEISA-N 0 1 266.772 2.803 20 30 CFEDMN N#Cc1ccc(O[C@H]2CCN(Cc3ccsc3)C2)nc1 ZINC000292718883 198387900 /nfs/dbraw/zinc/38/79/00/198387900.db2.gz FCCRTDMWQBDLHA-AWEZNQCLSA-N 0 1 285.372 2.668 20 30 CFEDMN Cc1cc(C(C#N)C(=O)c2csc(C3CC3)n2)nc(C)n1 ZINC000622650288 353533585 /nfs/dbraw/zinc/53/35/85/353533585.db2.gz QFVNZRFBFGAQIF-NSHDSACASA-N 0 1 298.371 2.917 20 30 CFEDMN C=C(C)COCCNCc1cc(C)c(Br)cn1 ZINC000623449789 353647737 /nfs/dbraw/zinc/64/77/37/353647737.db2.gz LFOQARSRKUFPPN-UHFFFAOYSA-N 0 1 299.212 2.835 20 30 CFEDMN CCN1C[C@@H](C)N(Cc2ccc(C#N)s2)[C@@H](C)C1 ZINC000566426972 290383117 /nfs/dbraw/zinc/38/31/17/290383117.db2.gz ZAHYULQSEYRXOC-TXEJJXNPSA-N 0 1 263.410 2.534 20 30 CFEDMN C=CC[C@@H]1CCN(C(=O)NCc2nc3ccc(C)cc3[nH]2)C1 ZINC000623686090 353706382 /nfs/dbraw/zinc/70/63/82/353706382.db2.gz DKSFJERMSFGKKU-CYBMUJFWSA-N 0 1 298.390 2.979 20 30 CFEDMN C=C[C@@H]1OCCC[C@H]1N[C@H](C)c1nc(C)cs1 ZINC000623994748 353778673 /nfs/dbraw/zinc/77/86/73/353778673.db2.gz BOZFJJMOCAKKNO-UTUOFQBUSA-N 0 1 252.383 2.836 20 30 CFEDMN C=CC(C)(C)CCNC(=O)N1C[C@H](C)N(CC)C[C@H]1C ZINC000624464735 353887268 /nfs/dbraw/zinc/88/72/68/353887268.db2.gz NHMQBUBMPFJVPA-UONOGXRCSA-N 0 1 281.444 2.713 20 30 CFEDMN C=CC[C@@H]1CCN(CC(=O)Nc2ccccc2OC)C1 ZINC000625700150 354088167 /nfs/dbraw/zinc/08/81/67/354088167.db2.gz HXILCPCQISPPSW-CYBMUJFWSA-N 0 1 274.364 2.532 20 30 CFEDMN C=CC[C@@H]1CC[N@H+](Cc2csc(-c3cnn(C)c3)n2)C1 ZINC000625699640 354088390 /nfs/dbraw/zinc/08/83/90/354088390.db2.gz BPSVYGCQQUYIDB-GFCCVEGCSA-N 0 1 288.420 2.942 20 30 CFEDMN C=CC[C@@H]1CCN(Cc2csc(-c3cnn(C)c3)n2)C1 ZINC000625699640 354088393 /nfs/dbraw/zinc/08/83/93/354088393.db2.gz BPSVYGCQQUYIDB-GFCCVEGCSA-N 0 1 288.420 2.942 20 30 CFEDMN C=CC[C@H]1CCN(CC(=O)c2cc(C)n(C)c2C)C1 ZINC000625703772 354091335 /nfs/dbraw/zinc/09/13/35/354091335.db2.gz OXLDWWZMDNRRNM-AWEZNQCLSA-N 0 1 260.381 2.723 20 30 CFEDMN COC(=O)c1cc(C)cc(-c2cc3[nH]cnc3c(C#N)n2)c1 ZINC001243021383 781932416 /nfs/dbraw/zinc/93/24/16/781932416.db2.gz BURJLZVNZJYDTN-UHFFFAOYSA-N 0 1 292.298 2.592 20 30 CFEDMN C=CCN(C)Cc1cc(C)c(Br)cn1 ZINC000628241481 354498905 /nfs/dbraw/zinc/49/89/05/354498905.db2.gz XNQBDWVOBWQTQV-UHFFFAOYSA-N 0 1 255.159 2.770 20 30 CFEDMN C=C(C)CN(CC)C(=O)[C@H](C)N(C)CCOC(C)(C)C ZINC000676041702 540034331 /nfs/dbraw/zinc/03/43/31/540034331.db2.gz MVAPBNBZAQNKOM-AWEZNQCLSA-N 0 1 284.444 2.546 20 30 CFEDMN C=CCOc1ccccc1C[N@H+]1CC[C@@H](C(=O)[O-])[C@H](C)C1 ZINC000629772847 354927902 /nfs/dbraw/zinc/92/79/02/354927902.db2.gz YEKZPKCPAZAFQU-UKRRQHHQSA-N 0 1 289.375 2.794 20 30 CFEDMN C=C1CC(C)(C(=O)NC2CCN(Cc3ccccn3)CC2)C1 ZINC000630765084 355171325 /nfs/dbraw/zinc/17/13/25/355171325.db2.gz HUEJXIZLYRSGGW-UHFFFAOYSA-N 0 1 299.418 2.519 20 30 CFEDMN CCc1nc([C@H](C)N[C@H](C)c2cccc(C#N)c2)n[nH]1 ZINC000271861016 191373507 /nfs/dbraw/zinc/37/35/07/191373507.db2.gz KLNSDHMPHLEEKD-MNOVXSKESA-N 0 1 269.352 2.651 20 30 CFEDMN C[C@@H](N[C@@H](C)c1ccc(C#N)c(F)c1)c1cnn(C)c1 ZINC000271941326 191421767 /nfs/dbraw/zinc/42/17/67/191421767.db2.gz LYDGARPSXSHKOJ-WDEREUQCSA-N 0 1 272.327 2.843 20 30 CFEDMN C=C1CC(C)(C(=O)NC2CCN(Cc3cccnc3)CC2)C1 ZINC000631306473 355395058 /nfs/dbraw/zinc/39/50/58/355395058.db2.gz HJNMVFYDSYCHIO-UHFFFAOYSA-N 0 1 299.418 2.519 20 30 CFEDMN C=C1CC(C)(C(=O)N2CCC(c3cc(C)[nH]n3)CC2)C1 ZINC000632279595 355681285 /nfs/dbraw/zinc/68/12/85/355681285.db2.gz BFALUMQENMLWFX-UHFFFAOYSA-N 0 1 273.380 2.780 20 30 CFEDMN C=CCCC(C)(C)CNC(=O)N[C@H]1CCc2nc[nH]c2C1 ZINC000633250439 355845730 /nfs/dbraw/zinc/84/57/30/355845730.db2.gz KTHYNMDFXPPWCJ-LBPRGKRZSA-N 0 1 290.411 2.559 20 30 CFEDMN N#Cc1ccc(C(=O)Nc2ncc(C(F)(F)F)[nH]2)cc1 ZINC000336125200 283134593 /nfs/dbraw/zinc/13/45/93/283134593.db2.gz IYYUXCUVCUUMFP-UHFFFAOYSA-N 0 1 280.209 2.552 20 30 CFEDMN N#Cc1cnc(N[C@@H]2CCCc3cn[nH]c32)c(Cl)c1 ZINC000268894201 283236292 /nfs/dbraw/zinc/23/62/92/283236292.db2.gz YUBSPFJBTKFDQA-LLVKDONJSA-N 0 1 273.727 2.819 20 30 CFEDMN N#Cc1csc(C(=O)Nc2ncc(C(F)(F)F)[nH]2)c1 ZINC000335925665 283247222 /nfs/dbraw/zinc/24/72/22/283247222.db2.gz RNGNLPCYOAYNBC-UHFFFAOYSA-N 0 1 286.238 2.614 20 30 CFEDMN CCn1cc([C@@H](C)NCc2ccc(C#N)s2)cn1 ZINC000294846716 199211692 /nfs/dbraw/zinc/21/16/92/199211692.db2.gz NBBFFXCSXBQWNV-SNVBAGLBSA-N 0 1 260.366 2.687 20 30 CFEDMN C#CCOc1ccc(CN[C@@H](C)c2cnc(C)nc2C)cc1 ZINC000296491136 199910250 /nfs/dbraw/zinc/91/02/50/199910250.db2.gz OQPKVPHZEFWJQN-ZDUSSCGKSA-N 0 1 295.386 2.956 20 30 CFEDMN C=C(C)[C@@H](CO)N1CC[C@](F)(c2ccccc2C)C1 ZINC000669698307 540514310 /nfs/dbraw/zinc/51/43/10/540514310.db2.gz WYVDXZGRBXTZPR-HZPDHXFCSA-N 0 1 263.356 2.803 20 30 CFEDMN C=CCC[C@H](C(=O)NOC(C)(C)CO)c1ccccc1 ZINC000297159448 200101475 /nfs/dbraw/zinc/10/14/75/200101475.db2.gz JPWLRNYEJOKBIX-AWEZNQCLSA-N 0 1 277.364 2.555 20 30 CFEDMN C=C(C)C[C@H](C)C(=O)NCc1ccc2cncn2c1 ZINC000297149109 200098039 /nfs/dbraw/zinc/09/80/39/200098039.db2.gz IQAVVJUCNRCJHZ-LBPRGKRZSA-N 0 1 257.337 2.553 20 30 CFEDMN C=CCCCCCN(C)C(=O)NCc1n[nH]c(C2CC2)n1 ZINC000298014658 200317232 /nfs/dbraw/zinc/31/72/32/200317232.db2.gz FFTRIIKSNUERDS-UHFFFAOYSA-N 0 1 291.399 2.570 20 30 CFEDMN C=CCCCCCCNC(=O)NCc1n[nH]c(C2CC2)n1 ZINC000298014708 200317677 /nfs/dbraw/zinc/31/76/77/200317677.db2.gz PEPTXDZFTHVYJZ-UHFFFAOYSA-N 0 1 291.399 2.618 20 30 CFEDMN C=CCN1CC[C@H](N(C)CCc2cccc(Cl)c2)C1=O ZINC000298151901 200346230 /nfs/dbraw/zinc/34/62/30/200346230.db2.gz RSYGTYUHNSGHQD-HNNXBMFYSA-N 0 1 292.810 2.601 20 30 CFEDMN CN(C)[C@H](CNc1ncccc1C#N)c1ccsc1 ZINC000298313817 200392315 /nfs/dbraw/zinc/39/23/15/200392315.db2.gz PYXMGZPEFWQLBJ-CYBMUJFWSA-N 0 1 272.377 2.730 20 30 CFEDMN C#CCCCCC(=O)Nc1nc(-c2ccccc2OC)n[nH]1 ZINC000179820877 189222190 /nfs/dbraw/zinc/22/21/90/189222190.db2.gz RTJHTFOPJATJFQ-UHFFFAOYSA-N 0 1 298.346 2.612 20 30 CFEDMN C#CCCCCC(=O)NC[C@H](c1ccco1)N(CC)CC ZINC000179874499 189225351 /nfs/dbraw/zinc/22/53/51/189225351.db2.gz XSAUVJKEBRMLKB-OAHLLOKOSA-N 0 1 290.407 2.972 20 30 CFEDMN C[C@@H]1CCN(Cc2ccc(C#N)s2)C[C@@H]1n1ccnc1 ZINC000180611927 189265315 /nfs/dbraw/zinc/26/53/15/189265315.db2.gz UREMXVMKLOSTAE-DOMZBBRYSA-N 0 1 286.404 2.899 20 30 CFEDMN Cc1cc(C#N)ccc1C(=O)Nc1nc(C2CCC2)n[nH]1 ZINC000184618591 189390646 /nfs/dbraw/zinc/39/06/46/189390646.db2.gz BLBUOLRINLBKGY-UHFFFAOYSA-N 0 1 281.319 2.505 20 30 CFEDMN Cc1cc(C#N)ccc1C(=O)Nc1n[nH]c(C2CCC2)n1 ZINC000184618591 189390647 /nfs/dbraw/zinc/39/06/47/189390647.db2.gz BLBUOLRINLBKGY-UHFFFAOYSA-N 0 1 281.319 2.505 20 30 CFEDMN N#Cc1c2c(cnc1-c1ccc(F)c([O-])c1)C[NH2+]CCC2 ZINC001243049512 781953877 /nfs/dbraw/zinc/95/38/77/781953877.db2.gz VIALQYUZPGAFJU-UHFFFAOYSA-N 0 1 283.306 2.501 20 30 CFEDMN C=C[C@@](C)(O)C(=O)Nc1ccc2nc(C3CCC3)[nH]c2c1 ZINC000667732591 541302049 /nfs/dbraw/zinc/30/20/49/541302049.db2.gz HOFOPDWWJKBRJG-MRXNPFEDSA-N 0 1 285.347 2.706 20 30 CFEDMN CCn1cccc(CN[C@H](C)c2ccc(C#N)c(F)c2)c1=O ZINC000433104829 240101211 /nfs/dbraw/zinc/10/12/11/240101211.db2.gz YNLGRZWVXYFKBX-GFCCVEGCSA-N 0 1 299.349 2.730 20 30 CFEDMN COCCN(Cc1ccccc1C#N)[C@H]1CCCSC1 ZINC000433198032 240124542 /nfs/dbraw/zinc/12/45/42/240124542.db2.gz VQGGJDUGBFPRGX-INIZCTEOSA-N 0 1 290.432 2.902 20 30 CFEDMN CC(=Cc1ccc(C#N)cc1F)c1nc(C)c(C#N)c(=O)[nH]1 ZINC000435335643 240304042 /nfs/dbraw/zinc/30/40/42/240304042.db2.gz JYUJCEMYAMBGCN-UITAMQMPSA-N 0 1 294.289 2.521 20 30 CFEDMN N#Cc1ccc(NC(=O)CCN2Cc3ccccc3C2)cc1 ZINC000194579507 189664305 /nfs/dbraw/zinc/66/43/05/189664305.db2.gz VIMPUGPMOWUOOG-UHFFFAOYSA-N 0 1 291.354 2.903 20 30 CFEDMN CCCN(C)CC(=O)Nc1ccc(OC(C)C)c(C#N)c1 ZINC000435686579 240339387 /nfs/dbraw/zinc/33/93/87/240339387.db2.gz WJUYLNHKUWJNAJ-UHFFFAOYSA-N 0 1 289.379 2.626 20 30 CFEDMN C=CCC[C@@H](C(=O)NCCc1nc(C)n[nH]1)c1ccccc1 ZINC000275359782 193010433 /nfs/dbraw/zinc/01/04/33/193010433.db2.gz UAONSIVORNTDAI-OAHLLOKOSA-N 0 1 298.390 2.522 20 30 CFEDMN CN(Cc1ccc(Cl)cc1C#N)[C@H]1CC[C@H](O)CC1 ZINC000275828630 193140042 /nfs/dbraw/zinc/14/00/42/193140042.db2.gz IGKUIMHVQIZNTQ-SHTZXODSSA-N 0 1 278.783 2.947 20 30 CFEDMN Cc1cncc(CNCc2ccc(C#N)c(C)c2)c1 ZINC000444004281 241106776 /nfs/dbraw/zinc/10/67/76/241106776.db2.gz XBORPHCNFOLRLU-UHFFFAOYSA-N 0 1 251.333 2.860 20 30 CFEDMN C[C@@H]1CN(CCCOc2cccc(C#N)c2)[C@@H](C)[C@@H](C)O1 ZINC000446083975 241277659 /nfs/dbraw/zinc/27/76/59/241277659.db2.gz SQKXNGYASAEIOD-QLFBSQMISA-N 0 1 288.391 2.825 20 30 CFEDMN C=C[C@](C)(CC)C(=O)N[C@@H](C)c1n[nH]c(C(C)C)n1 ZINC000275925004 193163574 /nfs/dbraw/zinc/16/35/74/193163574.db2.gz BJFADPIPONVUKF-IINYFYTJSA-N 0 1 264.373 2.708 20 30 CFEDMN CC[C@@H](CC#N)NCCC(=O)NCc1ccccc1Cl ZINC000574216917 335001701 /nfs/dbraw/zinc/00/17/01/335001701.db2.gz DQLSRLCNBKZVGU-ZDUSSCGKSA-N 0 1 293.798 2.628 20 30 CFEDMN Cc1cc(C#N)cc(NC(=O)NCCN2CC=C(C)CC2)c1 ZINC000455957039 244037417 /nfs/dbraw/zinc/03/74/17/244037417.db2.gz PSUDAVJMRULEJR-UHFFFAOYSA-N 0 1 298.390 2.640 20 30 CFEDMN C=CCCOCC(=O)Nc1[nH]nc(-c2ccc(C)o2)c1C ZINC000676397781 541749787 /nfs/dbraw/zinc/74/97/87/541749787.db2.gz ODOAQAAEUUUFNY-UHFFFAOYSA-N 0 1 289.335 2.818 20 30 CFEDMN C=CCCN(C)[C@@H](C)c1nc(-c2cccnc2)no1 ZINC000276374199 193305199 /nfs/dbraw/zinc/30/51/99/193305199.db2.gz HFHHIPADUXDSKM-NSHDSACASA-N 0 1 258.325 2.701 20 30 CFEDMN C=CCCN(C)[C@@H](C)C(=O)Nc1ccc(F)c(F)c1 ZINC000276491172 193353965 /nfs/dbraw/zinc/35/39/65/193353965.db2.gz UWSPMQYAFVGWNJ-JTQLQIEISA-N 0 1 268.307 2.800 20 30 CFEDMN C=CCCN(C)[C@@H](C)C(=O)Nc1ccc(OCC)cc1 ZINC000276520955 193366320 /nfs/dbraw/zinc/36/63/20/193366320.db2.gz YSJDPVUHEQSKIS-ZDUSSCGKSA-N 0 1 276.380 2.920 20 30 CFEDMN C=CCCN(C)[C@@H](C)C(=O)Nc1ccc(OC)c(OC)c1 ZINC000276527797 193368316 /nfs/dbraw/zinc/36/83/16/193368316.db2.gz ZOICWPKQKUHPHC-LBPRGKRZSA-N 0 1 292.379 2.539 20 30 CFEDMN CN(Cc1cccc(C#N)c1)Cc1cc(=O)[nH]c(C2CC2)n1 ZINC000459301470 245128612 /nfs/dbraw/zinc/12/86/12/245128612.db2.gz WIPVCGMDHUNSOZ-UHFFFAOYSA-N 0 1 294.358 2.563 20 30 CFEDMN CCC#C[C@@H](C)Sc1nc(-c2ccccn2)n[nH]1 ZINC000677132603 541825837 /nfs/dbraw/zinc/82/58/37/541825837.db2.gz IGVQKPONFUILSM-SNVBAGLBSA-N 0 1 258.350 2.761 20 30 CFEDMN COc1ccc(CN2CC3(CCC3)[C@H]3COC[C@H]32)cc1C#N ZINC000459669865 245267034 /nfs/dbraw/zinc/26/70/34/245267034.db2.gz JMPYRNIVJSZEPJ-JKSUJKDBSA-N 0 1 298.386 2.568 20 30 CFEDMN N#Cc1cccc(CN2CCCC[C@@H]2c2nnc[nH]2)c1F ZINC000331946074 204323098 /nfs/dbraw/zinc/32/30/98/204323098.db2.gz SALSPNMJGJTBMQ-CYBMUJFWSA-N 0 1 285.326 2.543 20 30 CFEDMN Cc1nc([C@H]2CCCCN2Cc2cccc(C#N)c2)n[nH]1 ZINC000331953216 204330525 /nfs/dbraw/zinc/33/05/25/204330525.db2.gz SWBPOCRPEVMBMB-OAHLLOKOSA-N 0 1 281.363 2.712 20 30 CFEDMN Cc1nc([C@@H]2CCCCN2Cc2cccc(C#N)c2)n[nH]1 ZINC000331953214 204330741 /nfs/dbraw/zinc/33/07/41/204330741.db2.gz SWBPOCRPEVMBMB-HNNXBMFYSA-N 0 1 281.363 2.712 20 30 CFEDMN C[C@@H]1CCC[C@@](C#N)(NC(=O)Cc2[nH]nc3ccccc32)C1 ZINC000116804881 376207236 /nfs/dbraw/zinc/20/72/36/376207236.db2.gz WBEXQMKWHMEZCB-SJKOYZFVSA-N 0 1 296.374 2.694 20 30 CFEDMN C[C@@H](NCC(=O)Nc1ccc(C#N)cc1)c1ccccc1 ZINC000003566774 371810732 /nfs/dbraw/zinc/81/07/32/371810732.db2.gz RZRYYENFYPXPLJ-CYBMUJFWSA-N 0 1 279.343 2.848 20 30 CFEDMN C=C(C)[C@H](CO)N(C)Cc1ccccc1OC(F)(F)F ZINC000677476251 541864195 /nfs/dbraw/zinc/86/41/95/541864195.db2.gz MYVYBQAOVVPEGR-LBPRGKRZSA-N 0 1 289.297 2.954 20 30 CFEDMN CCCCN(CC)CC(=O)Nc1cccc(C#N)c1 ZINC000019846835 372200810 /nfs/dbraw/zinc/20/08/10/372200810.db2.gz NAFVEQMCDNFZAY-UHFFFAOYSA-N 0 1 259.353 2.619 20 30 CFEDMN C=C[C@@H](CC(=O)N1CCN(CC)[C@@H](C)C1)c1ccccc1 ZINC000677589255 541879601 /nfs/dbraw/zinc/87/96/01/541879601.db2.gz TUHRNDAGWOPXOT-HOTGVXAUSA-N 0 1 286.419 2.899 20 30 CFEDMN C=C[C@@H](CC(=O)N1CC[N@H+](CC)[C@@H](C)C1)c1ccccc1 ZINC000677589255 541879598 /nfs/dbraw/zinc/87/95/98/541879598.db2.gz TUHRNDAGWOPXOT-HOTGVXAUSA-N 0 1 286.419 2.899 20 30 CFEDMN C=CCNC(=O)[C@H](C)N[C@@H](C)c1cccc(Cl)c1 ZINC000037978051 372745813 /nfs/dbraw/zinc/74/58/13/372745813.db2.gz QTURQVBCMNUQID-QWRGUYRKSA-N 0 1 266.772 2.681 20 30 CFEDMN Cc1csc(C(C#N)C(=O)c2ccc(C#N)cc2)n1 ZINC000041520118 372845181 /nfs/dbraw/zinc/84/51/81/372845181.db2.gz XIGXAUSQDBMGEF-GFCCVEGCSA-N 0 1 267.313 2.813 20 30 CFEDMN CC1(C)CCN(CC(=O)Nc2cccc(C#N)c2)CC1 ZINC000061803913 373726148 /nfs/dbraw/zinc/72/61/48/373726148.db2.gz GLFSIGDIHWAOMC-UHFFFAOYSA-N 0 1 271.364 2.619 20 30 CFEDMN C=CCOc1cccc(NC(=O)CN(C)C(C)C)c1 ZINC000063583166 373809531 /nfs/dbraw/zinc/80/95/31/373809531.db2.gz QXFHVTLKCXUDCZ-UHFFFAOYSA-N 0 1 262.353 2.530 20 30 CFEDMN COCC#CCN1CCC(Oc2ccccc2Cl)CC1 ZINC000677820142 541910920 /nfs/dbraw/zinc/91/09/20/541910920.db2.gz YJLLIRLMLVHINK-UHFFFAOYSA-N 0 1 293.794 2.833 20 30 CFEDMN CCN(CC)[C@H](C)C(=O)Nc1ccc(C#N)c(Cl)c1 ZINC000072862044 374293934 /nfs/dbraw/zinc/29/39/34/374293934.db2.gz ZLKXQNNADRSEEG-SNVBAGLBSA-N 0 1 279.771 2.880 20 30 CFEDMN CC[C@@]1(C)CCCN(CC(=O)NC2(C#N)CCCCC2)C1 ZINC000075998319 374518752 /nfs/dbraw/zinc/51/87/52/374518752.db2.gz RVYZDGSUJNAJEI-INIZCTEOSA-N 0 1 291.439 2.841 20 30 CFEDMN C=CCN(CC=C)C(=O)[C@H](C)N1CCS[C@H](C(C)C)C1 ZINC000076064953 374527386 /nfs/dbraw/zinc/52/73/86/374527386.db2.gz FWYHXUFWYFXAJM-GJZGRUSLSA-N 0 1 296.480 2.649 20 30 CFEDMN C=CCN(CC=C)Cc1ccc(C(=O)NC2CC2)cc1 ZINC000678120777 541955373 /nfs/dbraw/zinc/95/53/73/541955373.db2.gz NISOLDQMHAUUAR-UHFFFAOYSA-N 0 1 270.376 2.753 20 30 CFEDMN CCN(C[C@@H](C)C#N)C(=O)CN(C)[C@@H]1CCc2ccccc21 ZINC000076872869 374559539 /nfs/dbraw/zinc/55/95/39/374559539.db2.gz QCSOTRWRQHJKTD-WMLDXEAASA-N 0 1 299.418 2.614 20 30 CFEDMN CN1CCN(C(=O)c2cccc(C#N)c2)C2(CCCCC2)C1 ZINC000080941277 374677402 /nfs/dbraw/zinc/67/74/02/374677402.db2.gz UIKKMMITOOYHDS-UHFFFAOYSA-N 0 1 297.402 2.649 20 30 CFEDMN CC(C)(C)OC(=O)NC(C)(C)CNCc1ccc(C#N)o1 ZINC000083475281 374746799 /nfs/dbraw/zinc/74/67/99/374746799.db2.gz GUJVDJLFTZCHIH-UHFFFAOYSA-N 0 1 293.367 2.544 20 30 CFEDMN COc1ccc(N2CCN(CCC(C)(C)C#N)CC2)cc1 ZINC000087595050 374826239 /nfs/dbraw/zinc/82/62/39/374826239.db2.gz UUWXLSBFNBOYHW-UHFFFAOYSA-N 0 1 287.407 2.757 20 30 CFEDMN N#Cc1ccc(CN2CCC[C@H](c3nccs3)C2)o1 ZINC000092788650 375155476 /nfs/dbraw/zinc/15/54/76/375155476.db2.gz RFJAEGCXKFFZBP-NSHDSACASA-N 0 1 273.361 2.987 20 30 CFEDMN C[C@@H]1CN(Cc2ccccc2)CCN1Cc1ccc(C#N)o1 ZINC000093325016 375213183 /nfs/dbraw/zinc/21/31/83/375213183.db2.gz SIHFGOZTTRKXRI-OAHLLOKOSA-N 0 1 295.386 2.858 20 30 CFEDMN N#C[C@@H](NC(=O)c1n[nH]c2ccccc21)c1ccccc1F ZINC000108802297 375818659 /nfs/dbraw/zinc/81/86/59/375818659.db2.gz MPJROVVYDKSMGW-CQSZACIVSA-N 0 1 294.289 2.697 20 30 CFEDMN COCC1CCN(Cc2cn3ccccc3c2C#N)CC1 ZINC000112354736 375912824 /nfs/dbraw/zinc/91/28/24/375912824.db2.gz GXVWQIWGZDRGMV-UHFFFAOYSA-N 0 1 283.375 2.669 20 30 CFEDMN CN(C(=O)CN1CCCC(C)(C)C1)C1(C#N)CCCCC1 ZINC000112702294 375948115 /nfs/dbraw/zinc/94/81/15/375948115.db2.gz AMWGZOZNVVYOJM-UHFFFAOYSA-N 0 1 291.439 2.793 20 30 CFEDMN CC(C)[C@@](C)(C#N)NC(=O)[C@H](C)N1CCCC(C)(C)C1 ZINC000112702828 375951287 /nfs/dbraw/zinc/95/12/87/375951287.db2.gz LFKWIIMMOQCNMO-XJKSGUPXSA-N 0 1 279.428 2.551 20 30 CFEDMN Cc1occc1C(=O)[C@@H](C#N)c1nc2ccccc2n1C ZINC000122213981 376924839 /nfs/dbraw/zinc/92/48/39/376924839.db2.gz ZQRVHFUEVPYTBN-GFCCVEGCSA-N 0 1 279.299 2.965 20 30 CFEDMN Cc1occc1C(=O)C(C#N)c1nc2ccccc2n1C ZINC000122213981 376924843 /nfs/dbraw/zinc/92/48/43/376924843.db2.gz ZQRVHFUEVPYTBN-GFCCVEGCSA-N 0 1 279.299 2.965 20 30 CFEDMN CC[C@@H](C)NC(=O)[C@H](C)NC1CC(C#N)(c2ccccc2)C1 ZINC000126405077 377225459 /nfs/dbraw/zinc/22/54/59/377225459.db2.gz ITHQFXKJGIEDHK-RTTWGWCOSA-N 0 1 299.418 2.503 20 30 CFEDMN COc1ccc(C#N)cc1CN(C(C)C)[C@H]1CCOC1 ZINC000361408531 295076936 /nfs/dbraw/zinc/07/69/36/295076936.db2.gz OCLPCCSAEDPGJI-HNNXBMFYSA-N 0 1 274.364 2.566 20 30 CFEDMN COc1ccc(C#N)cc1CN(C)C[C@@H]1CCCCO1 ZINC000130421178 377553898 /nfs/dbraw/zinc/55/38/98/377553898.db2.gz QLNHIPACRGLMDP-HNNXBMFYSA-N 0 1 274.364 2.568 20 30 CFEDMN COc1ccc(C#N)cc1CN1CCCSCC1 ZINC000130417634 377555460 /nfs/dbraw/zinc/55/54/60/377555460.db2.gz DMPOZIUZKJDOTD-UHFFFAOYSA-N 0 1 262.378 2.506 20 30 CFEDMN N#CCC[C@@H](NCc1cnc2cnccn12)c1ccccc1 ZINC000130455452 377561549 /nfs/dbraw/zinc/56/15/49/377561549.db2.gz WVMPYJZQEQIIPA-MRXNPFEDSA-N 0 1 291.358 2.864 20 30 CFEDMN C=CCOCCNCc1nc2cc(Cl)ccc2n1C ZINC000679486114 542196580 /nfs/dbraw/zinc/19/65/80/542196580.db2.gz AZUWNJYULTZRQO-UHFFFAOYSA-N 0 1 279.771 2.519 20 30 CFEDMN FC(F)(F)c1ccc(C#CCNC2CSC2)cc1 ZINC000679626151 542215186 /nfs/dbraw/zinc/21/51/86/542215186.db2.gz NQLIANQCYAPJHG-UHFFFAOYSA-N 0 1 271.307 2.762 20 30 CFEDMN CC(=O)c1ccc(C#N)cc1N1CCN(CC(C)C)CC1 ZINC000131283948 377686154 /nfs/dbraw/zinc/68/61/54/377686154.db2.gz ZYRSBXGJVMRWSG-UHFFFAOYSA-N 0 1 285.391 2.539 20 30 CFEDMN C[C@@H](N[C@@H](C)C(=O)NC(C)(C)C)c1cccc(C#N)c1 ZINC000134804525 378050587 /nfs/dbraw/zinc/05/05/87/378050587.db2.gz YMOBQNCBZYVVJD-NEPJUHHUSA-N 0 1 273.380 2.512 20 30 CFEDMN C=C[C@@](C)(CC)C(=O)NCCc1nnc(-c2ccccc2)[nH]1 ZINC000135187432 378096698 /nfs/dbraw/zinc/09/66/98/378096698.db2.gz XMRAQXVNQKGXCH-KRWDZBQOSA-N 0 1 298.390 2.733 20 30 CFEDMN C[C@@H](NCc1ccc(F)c(C#N)c1)c1cccnc1 ZINC000136238040 378190237 /nfs/dbraw/zinc/19/02/37/378190237.db2.gz IVYBWQVGTLYQIB-LLVKDONJSA-N 0 1 255.296 2.943 20 30 CFEDMN C=CCCCCCN(C)CC(=O)Nc1c(C)n[nH]c1C ZINC000150891193 378277964 /nfs/dbraw/zinc/27/79/64/378277964.db2.gz XORVVXTYXLFERL-UHFFFAOYSA-N 0 1 278.400 2.643 20 30 CFEDMN C=CCCCCCN(C)CC(=O)Nc1nccs1 ZINC000150886506 378278068 /nfs/dbraw/zinc/27/80/68/378278068.db2.gz HCDQCNDXUUKAHA-UHFFFAOYSA-N 0 1 267.398 2.760 20 30 CFEDMN O=C(NC1(C(F)F)CC1)[C@@H]1CCCc2[nH]ncc21 ZINC000328707963 378416194 /nfs/dbraw/zinc/41/61/94/378416194.db2.gz MAGFDVDEKDPVOV-SSDOTTSWSA-N 0 1 255.268 2.584 20 30 CFEDMN COc1cccc2c1CC[C@@H]2NCc1ccc(C#N)o1 ZINC000151910865 378372488 /nfs/dbraw/zinc/37/24/88/378372488.db2.gz WQDZPJRCJGYLLI-HNNXBMFYSA-N 0 1 268.316 2.937 20 30 CFEDMN CCc1nc([C@H](C)NC(=O)N[C@@H]2CCC[C@H](C)[C@H]2C)n[nH]1 ZINC000328936812 378442996 /nfs/dbraw/zinc/44/29/96/378442996.db2.gz QXQDADKPILFHOV-WHOHXGKFSA-N 0 1 293.415 2.756 20 30 CFEDMN Cc1cc(C2CCN(CC(=O)NCC3CCC3)CC2)[nH]n1 ZINC000329329808 378455268 /nfs/dbraw/zinc/45/52/68/378455268.db2.gz VMMBMYDMKIHCCH-UHFFFAOYSA-N 0 1 290.411 2.654 20 30 CFEDMN O=C(CN1CCCC[C@H]1c1nnc[nH]1)NC1CCCCC1 ZINC000329365459 378457666 /nfs/dbraw/zinc/45/76/66/378457666.db2.gz GKKKEGODCNPCFN-ZDUSSCGKSA-N 0 1 291.399 2.621 20 30 CFEDMN O=C(CCc1nc[nH]n1)NC[C@@H]1C[C@H]1C1CCCCC1 ZINC000329359698 378458408 /nfs/dbraw/zinc/45/84/08/378458408.db2.gz XRBKQJGPPQVJKX-STQMWFEESA-N 0 1 276.384 2.910 20 30 CFEDMN O=C(NC1CCSCC1)c1cc2[nH]cnc2cc1F ZINC000329382903 378459056 /nfs/dbraw/zinc/45/90/56/378459056.db2.gz OISLOSVQSHKYDQ-UHFFFAOYSA-N 0 1 279.340 2.902 20 30 CFEDMN O=C(Nc1nc(C2CCC2)n[nH]1)[C@@H]1CCCSC1 ZINC000329580162 378465063 /nfs/dbraw/zinc/46/50/63/378465063.db2.gz PPWHJILGGRCJLC-SECBINFHSA-N 0 1 266.370 2.803 20 30 CFEDMN O=C(Nc1n[nH]c(C2CCC2)n1)[C@@H]1CCCSC1 ZINC000329580162 378465067 /nfs/dbraw/zinc/46/50/67/378465067.db2.gz PPWHJILGGRCJLC-SECBINFHSA-N 0 1 266.370 2.803 20 30 CFEDMN Cc1cc(C[C@H](C)NC(=O)[C@@H]2CCCSC2)n[nH]1 ZINC000329590113 378466250 /nfs/dbraw/zinc/46/62/50/378466250.db2.gz SWWGEYZFTYMOIM-GXSJLCMTSA-N 0 1 267.398 2.749 20 30 CFEDMN CCS[C@@H]1CCC[C@@H]1NC(=O)[C@@H]1CCc2[nH]nnc2C1 ZINC000328780407 378423933 /nfs/dbraw/zinc/42/39/33/378423933.db2.gz MNXNFRJCZQAQRM-SUZMYJTESA-N 0 1 294.424 2.540 20 30 CFEDMN CCS[C@@H]1CCC[C@@H]1NC(=O)[C@@H]1CCc2nn[nH]c2C1 ZINC000328780407 378423942 /nfs/dbraw/zinc/42/39/42/378423942.db2.gz MNXNFRJCZQAQRM-SUZMYJTESA-N 0 1 294.424 2.540 20 30 CFEDMN CC[C@H](NC(=O)c1ccc2cncn2c1)[C@@H]1CCCO1 ZINC000328804685 378427026 /nfs/dbraw/zinc/42/70/26/378427026.db2.gz KLOJAXJNXBFLFC-KBPBESRZSA-N 0 1 273.336 2.597 20 30 CFEDMN Cc1cc(CC(=O)Nc2scnc2C2CC2)n[nH]1 ZINC000328907661 378438234 /nfs/dbraw/zinc/43/82/34/378438234.db2.gz CHUFKXHSEMPCQN-UHFFFAOYSA-N 0 1 262.338 2.883 20 30 CFEDMN C=CCOc1ccc(C(=O)Nc2ccc3[nH]nnc3c2)cc1 ZINC000153297885 378485042 /nfs/dbraw/zinc/48/50/42/378485042.db2.gz ICPVYBFVAMCBCM-UHFFFAOYSA-N 0 1 294.314 2.775 20 30 CFEDMN O=C(Nc1ccc2nc[nH]c2c1)[C@H]1C[C@@]12CCOC2 ZINC000329722388 378487659 /nfs/dbraw/zinc/48/76/59/378487659.db2.gz FGUOLIUUPVNQES-QMTHXVAHSA-N 0 1 257.293 2.578 20 30 CFEDMN O=C(Nc1ccc2nc[nH]c2c1)[C@@H]1C[C@@]12CCOC2 ZINC000329722387 378487982 /nfs/dbraw/zinc/48/79/82/378487982.db2.gz FGUOLIUUPVNQES-IINYFYTJSA-N 0 1 257.293 2.578 20 30 CFEDMN CN(C)c1nc2ccc(NC(=O)[C@H]3CCCCO3)cc2[nH]1 ZINC000329808059 378499663 /nfs/dbraw/zinc/49/96/63/378499663.db2.gz AKHFRSGPLFPSKG-CYBMUJFWSA-N 0 1 288.351 2.786 20 30 CFEDMN COC1CCC(CNC(=O)[C@@H]2CCCc3[nH]ncc32)CC1 ZINC000329811212 378499854 /nfs/dbraw/zinc/49/98/54/378499854.db2.gz BTWKVUKDFUSUBT-WXRRBKDZSA-N 0 1 291.395 2.991 20 30 CFEDMN Cc1csc(C(C#N)C(=O)c2cnc(C)nc2C2CC2)n1 ZINC000329807300 378499955 /nfs/dbraw/zinc/49/99/55/378499955.db2.gz AALPJYQKOHQKEZ-LLVKDONJSA-N 0 1 298.371 2.917 20 30 CFEDMN CCCn1cc(-c2nc3ccc(C#N)cc3[nH]2)cn1 ZINC000154232850 378550999 /nfs/dbraw/zinc/55/09/99/378550999.db2.gz XFOWLQKWGBIXHG-UHFFFAOYSA-N 0 1 251.293 2.708 20 30 CFEDMN C=CCNC(=O)[C@H](C)N(CC)Cc1cccc(Cl)c1 ZINC000154007633 378531295 /nfs/dbraw/zinc/53/12/95/378531295.db2.gz LVMUWEZWSCJKTA-LBPRGKRZSA-N 0 1 280.799 2.853 20 30 CFEDMN Cc1n[nH]c(C(C)C)c1C(=O)NC[C@@H]1CCO[C@H](C)C1 ZINC000330622833 378591733 /nfs/dbraw/zinc/59/17/33/378591733.db2.gz DEFRAOHBBDZNIF-ZYHUDNBSSA-N 0 1 279.384 2.961 20 30 CFEDMN CCC[N@@H+]1CCC[C@H]1CNC(=O)c1c(F)ccc([O-])c1F ZINC000330682478 378596491 /nfs/dbraw/zinc/59/64/91/378596491.db2.gz HRIMUWITYWGQEF-JTQLQIEISA-N 0 1 298.333 2.849 20 30 CFEDMN CCC[N@H+]1CCC[C@H]1CNC(=O)c1c(F)ccc([O-])c1F ZINC000330682478 378596496 /nfs/dbraw/zinc/59/64/96/378596496.db2.gz HRIMUWITYWGQEF-JTQLQIEISA-N 0 1 298.333 2.849 20 30 CFEDMN CCC(C)(C)[C@@H]1CCC[N@H+]1CC(=O)N[C@@](C)(C#N)C(C)C ZINC000156991279 378649571 /nfs/dbraw/zinc/64/95/71/378649571.db2.gz MMSFUXCFVFDBHU-YOEHRIQHSA-N 0 1 293.455 2.941 20 30 CFEDMN C#CCN[C@H](C)c1cnn(-c2ccc(F)cc2)c1C ZINC000157221222 378651340 /nfs/dbraw/zinc/65/13/40/378651340.db2.gz PBDLPWAFECIIFG-LLVKDONJSA-N 0 1 257.312 2.604 20 30 CFEDMN C=C(C)CN(CC)C(=O)c1cccc(-c2nnc[nH]2)c1 ZINC000160045900 378746019 /nfs/dbraw/zinc/74/60/19/378746019.db2.gz JTCLQUMPVPMXHS-UHFFFAOYSA-N 0 1 270.336 2.510 20 30 CFEDMN C[C@H](CC#N)N(C)CC1CCN(C(=O)OC(C)(C)C)CC1 ZINC000161943044 378881806 /nfs/dbraw/zinc/88/18/06/378881806.db2.gz LDDLKXVTHCHKKT-CYBMUJFWSA-N 0 1 295.427 2.867 20 30 CFEDMN C=CCNC(=O)CN1C[C@@H]2CCCC[C@@]21c1ccccc1 ZINC000163674898 378986234 /nfs/dbraw/zinc/98/62/34/378986234.db2.gz PSEAQEMHEMCZFF-FUHWJXTLSA-N 0 1 284.403 2.690 20 30 CFEDMN C#CCN(C(=O)c1cc(C(C)C)[nH]n1)C1CCCC1 ZINC000163857927 378993293 /nfs/dbraw/zinc/99/32/93/378993293.db2.gz RSKFOHHTKXAEPW-UHFFFAOYSA-N 0 1 259.353 2.551 20 30 CFEDMN N#Cc1ccc(C(=O)Nc2cc(F)cc(F)c2F)cc1O ZINC000334371628 379178498 /nfs/dbraw/zinc/17/84/98/379178498.db2.gz QCMYDVSZSAUINI-UHFFFAOYSA-N 0 1 292.216 2.933 20 30 CFEDMN CCN(CC(=O)Nc1cc(Cl)ccc1C#N)C(C)C ZINC000171056981 379217728 /nfs/dbraw/zinc/21/77/28/379217728.db2.gz TYZTZYGGUDMHBD-UHFFFAOYSA-N 0 1 279.771 2.880 20 30 CFEDMN Cc1ccc(S(=O)(=O)Nc2cc(C#N)ccc2Cl)o1 ZINC000334417880 379263679 /nfs/dbraw/zinc/26/36/79/379263679.db2.gz RGFCFAMZSWZDRU-UHFFFAOYSA-N 0 1 296.735 2.914 20 30 CFEDMN CC[C@H](C)CN(C)CC(=O)Nc1sccc1C#N ZINC000171952537 379450781 /nfs/dbraw/zinc/45/07/81/379450781.db2.gz RXVAVPACDJVCJH-JTQLQIEISA-N 0 1 265.382 2.536 20 30 CFEDMN C#CCOc1ccc(CN[C@@H](C)c2cn(C)nc2C)cc1 ZINC000172118949 379495580 /nfs/dbraw/zinc/49/55/80/379495580.db2.gz HXIUDZFLMQXKQF-ZDUSSCGKSA-N 0 1 283.375 2.591 20 30 CFEDMN C=CCCCN(C)[C@H](C(=O)N(C)C)c1ccccc1 ZINC000172324607 379543539 /nfs/dbraw/zinc/54/35/39/379543539.db2.gz YGMOJVWIUMWXAT-HNNXBMFYSA-N 0 1 260.381 2.714 20 30 CFEDMN CC#CCCN1CC[C@]2(C1)CC(=O)c1ccccc1O2 ZINC000334637605 379680231 /nfs/dbraw/zinc/68/02/31/379680231.db2.gz IUWSIFUQDWLTDK-QGZVFWFLSA-N 0 1 269.344 2.510 20 30 CFEDMN CC1(C)COC[C@H]1NCc1ccc(Cl)cc1C#N ZINC000334664747 379732661 /nfs/dbraw/zinc/73/26/61/379732661.db2.gz AFYXCEXOYHWACO-CYBMUJFWSA-N 0 1 264.756 2.726 20 30 CFEDMN N#Cc1ccc(Br)c(CSc2cn[nH]n2)c1 ZINC000335717246 379774839 /nfs/dbraw/zinc/77/48/39/379774839.db2.gz XIGNIQDVPLXDBV-UHFFFAOYSA-N 0 1 295.165 2.731 20 30 CFEDMN N#Cc1cc(F)ccc1CN1CC[C@@H]([C@H]2CCOC2)C1 ZINC000335856389 380001924 /nfs/dbraw/zinc/00/19/24/380001924.db2.gz QZJIENFJXDYLGA-KGLIPLIRSA-N 0 1 274.339 2.556 20 30 CFEDMN N#Cc1cccc(NC(=O)CN2CCC[C@H](C3CC3)C2)c1 ZINC000289439229 197348177 /nfs/dbraw/zinc/34/81/77/197348177.db2.gz OHHCFUVTPXRDFA-HNNXBMFYSA-N 0 1 283.375 2.619 20 30 CFEDMN CC[C@](C)(C#N)C(=O)Nc1nc2ccc(F)cc2[nH]1 ZINC000336264882 380302516 /nfs/dbraw/zinc/30/25/16/380302516.db2.gz DKECCGQEHUQRFP-CYBMUJFWSA-N 0 1 260.272 2.580 20 30 CFEDMN COC(=O)[C@H]1CCCN(CC#Cc2ccc(Cl)cc2)C1 ZINC000177105893 380305394 /nfs/dbraw/zinc/30/53/94/380305394.db2.gz XYIRZMDLIJCHET-AWEZNQCLSA-N 0 1 291.778 2.577 20 30 CFEDMN N#Cc1ccc(CN2CCC[C@@]3(CCCOC3)C2)o1 ZINC000336511402 380389034 /nfs/dbraw/zinc/38/90/34/380389034.db2.gz QPBIPEUCKWWYAS-OAHLLOKOSA-N 0 1 260.337 2.544 20 30 CFEDMN N#Cc1cc(F)ccc1CN1CCC[C@@H]([C@@H]2CCOC2)C1 ZINC000336543281 380442788 /nfs/dbraw/zinc/44/27/88/380442788.db2.gz QKJVZYIQALQKLN-UKRRQHHQSA-N 0 1 288.366 2.946 20 30 CFEDMN N#Cc1ccc(OCCCN2CCOCC23CCC3)cc1 ZINC000178479457 380456562 /nfs/dbraw/zinc/45/65/62/380456562.db2.gz BSACQEBBSVNYCE-UHFFFAOYSA-N 0 1 286.375 2.582 20 30 CFEDMN CN(Cc1ccc(C#N)cc1)Cc1cccc2nccn21 ZINC000179682970 380572635 /nfs/dbraw/zinc/57/26/35/380572635.db2.gz NPVDSYRLAHRJOJ-UHFFFAOYSA-N 0 1 276.343 2.838 20 30 CFEDMN N#Cc1ccc(CN2CC3(CCOCC3)[C@@H]2C2CC2)o1 ZINC000336630113 380576236 /nfs/dbraw/zinc/57/62/36/380576236.db2.gz QOARKVTXKSCYIZ-HNNXBMFYSA-N 0 1 272.348 2.542 20 30 CFEDMN CN(Cc1ccc(C#N)cc1Cl)[C@@H]1CCC[C@H]1O ZINC000336631937 380579662 /nfs/dbraw/zinc/57/96/62/380579662.db2.gz SLXHEHODPNBLTI-ZIAGYGMSSA-N 0 1 264.756 2.557 20 30 CFEDMN Cn1cc(CNCc2ccco2)c(-c2ccc(C#N)cc2)n1 ZINC000180028376 380611656 /nfs/dbraw/zinc/61/16/56/380611656.db2.gz GPWXXOLEGKYCSH-UHFFFAOYSA-N 0 1 292.342 2.842 20 30 CFEDMN Cc1ccc(CN(CCO)Cc2cc(C#N)cs2)cc1 ZINC000180847654 380705319 /nfs/dbraw/zinc/70/53/19/380705319.db2.gz BCVHAJVHOYJSPX-UHFFFAOYSA-N 0 1 286.400 2.923 20 30 CFEDMN Cc1noc(CCCN(CCC#N)CC(C)(C)C)n1 ZINC000336801492 380652738 /nfs/dbraw/zinc/65/27/38/380652738.db2.gz QHOBTFJORBXJSX-UHFFFAOYSA-N 0 1 264.373 2.572 20 30 CFEDMN C=CCC(C)(C)CNC(=O)N1C[C@H](C)N(CC)C[C@@H]1C ZINC000432577240 383749254 /nfs/dbraw/zinc/74/92/54/383749254.db2.gz YHVVHVNRJPBBQM-KBPBESRZSA-N 0 1 281.444 2.713 20 30 CFEDMN CCCCN1Cc2cccc(N[C@@H](C#N)COC)c2C1 ZINC000181332208 380778315 /nfs/dbraw/zinc/77/83/15/380778315.db2.gz JPCCVTORTLPNSA-AWEZNQCLSA-N 0 1 273.380 2.753 20 30 CFEDMN C#CCCCCC(=O)Nc1ccc2nc(N(C)C)[nH]c2c1 ZINC000279187501 194323048 /nfs/dbraw/zinc/32/30/48/194323048.db2.gz KYSSSCLDYRNVLH-UHFFFAOYSA-N 0 1 284.363 2.761 20 30 CFEDMN COCCCN(C)Cc1ccc(Br)cc1C#N ZINC000287361652 380812703 /nfs/dbraw/zinc/81/27/03/380812703.db2.gz PQGRROSKADKPRM-UHFFFAOYSA-N 0 1 297.196 2.789 20 30 CFEDMN N#CCSCCCN1CCO[C@H](Cc2ccccc2)C1 ZINC000181552239 380825524 /nfs/dbraw/zinc/82/55/24/380825524.db2.gz WWXLOQMJQWBJFQ-MRXNPFEDSA-N 0 1 290.432 2.577 20 30 CFEDMN CCCN(CCO)Cc1ccc(Br)cc1C#N ZINC000287386590 380821161 /nfs/dbraw/zinc/82/11/61/380821161.db2.gz RAIPEJWNCMWEBR-UHFFFAOYSA-N 0 1 297.196 2.525 20 30 CFEDMN N#Cc1ccc2ncc(CN3C[C@H]4CCCC[C@H]43)n2c1 ZINC000367975627 380872517 /nfs/dbraw/zinc/87/25/17/380872517.db2.gz ZHVUZSWDNMAEGR-UKRRQHHQSA-N 0 1 266.348 2.580 20 30 CFEDMN N#Cc1ccc(CNCc2ccnc(OC(F)F)c2)s1 ZINC000341258933 380873262 /nfs/dbraw/zinc/87/32/62/380873262.db2.gz PGFZOILPDNFAQA-UHFFFAOYSA-N 0 1 295.314 2.906 20 30 CFEDMN CCc1nc(CN(CC)[C@@H](C)c2ccc(C#N)cc2)n[nH]1 ZINC000181655260 380855872 /nfs/dbraw/zinc/85/58/72/380855872.db2.gz MSRVVHSHRDDCCP-LBPRGKRZSA-N 0 1 283.379 2.822 20 30 CFEDMN C=C(CC)CN1CCN(c2ccccc2C#N)CC1 ZINC000358499464 380887085 /nfs/dbraw/zinc/88/70/85/380887085.db2.gz OPFQNIOYRGZUSI-UHFFFAOYSA-N 0 1 255.365 2.646 20 30 CFEDMN C#C[C@@H](C)NCc1c(Cl)n(C)nc1-c1ccccc1 ZINC000368042645 380901718 /nfs/dbraw/zinc/90/17/18/380901718.db2.gz VTROBQDVCCFOJI-LLVKDONJSA-N 0 1 273.767 2.852 20 30 CFEDMN N#Cc1ccc(CNc2ccc3c(n2)CCC3)cc1F ZINC000404579597 380904739 /nfs/dbraw/zinc/90/47/39/380904739.db2.gz XHKHRORLFQVYMW-UHFFFAOYSA-N 0 1 267.307 2.615 20 30 CFEDMN CCCn1cc(CNCc2ccc(C#N)c(F)c2)cn1 ZINC000404693590 380905710 /nfs/dbraw/zinc/90/57/10/380905710.db2.gz UPCHPMPIDGNUSC-UHFFFAOYSA-N 0 1 272.327 2.594 20 30 CFEDMN C=CCCCNC(=O)[C@H](c1ccccc1)N(C)CC ZINC000279262384 194356438 /nfs/dbraw/zinc/35/64/38/194356438.db2.gz UBXVFSFMWJCBHD-HNNXBMFYSA-N 0 1 260.381 2.762 20 30 CFEDMN CC[N@@H+](CCN[C@@H](C)c1ccc(C#N)cc1F)C1CC1 ZINC000358558621 380924899 /nfs/dbraw/zinc/92/48/99/380924899.db2.gz CQMLWWQDFKNRBT-LBPRGKRZSA-N 0 1 275.371 2.832 20 30 CFEDMN CCN1CCN(c2nc3ccccc3c(C)c2C#N)CC1 ZINC000295621828 380979916 /nfs/dbraw/zinc/97/99/16/380979916.db2.gz ZWUODRHPGILZSA-UHFFFAOYSA-N 0 1 280.375 2.557 20 30 CFEDMN C[C@H](NCc1cccn1C)c1ccc(C#N)cc1F ZINC000358568640 380933583 /nfs/dbraw/zinc/93/35/83/380933583.db2.gz LMQOUBREOKIXEJ-NSHDSACASA-N 0 1 257.312 2.887 20 30 CFEDMN C=CCN(CCc1ccccc1)[C@@H]1CCN(C(C)C)C1=O ZINC000411201403 381015058 /nfs/dbraw/zinc/01/50/58/381015058.db2.gz RUMRDIUQQVZKCW-QGZVFWFLSA-N 0 1 286.419 2.726 20 30 CFEDMN C[C@@](NCCC1(C#N)CCCCC1)(C(N)=O)c1ccccc1 ZINC000411358327 381022220 /nfs/dbraw/zinc/02/22/20/381022220.db2.gz PRNIRSZHBSIAAU-KRWDZBQOSA-N 0 1 299.418 2.841 20 30 CFEDMN COc1cc(C#N)ccc1CN1CCC[C@H]2COCC[C@@H]21 ZINC000347250423 381028998 /nfs/dbraw/zinc/02/89/98/381028998.db2.gz NVOZRMGXIQVCDX-HOTGVXAUSA-N 0 1 286.375 2.568 20 30 CFEDMN COC[C@H]1CN(CCC2(C#N)CCCCC2)C[C@@H](C)O1 ZINC000411603497 381034731 /nfs/dbraw/zinc/03/47/31/381034731.db2.gz DUILEDLRDBWKGQ-HUUCEWRRSA-N 0 1 280.412 2.586 20 30 CFEDMN COC[C@@H]1CN(CCC2(C#N)CCCCC2)C[C@H](C)O1 ZINC000411603496 381035856 /nfs/dbraw/zinc/03/58/56/381035856.db2.gz DUILEDLRDBWKGQ-GJZGRUSLSA-N 0 1 280.412 2.586 20 30 CFEDMN C=CCCC[C@H](C)NC(=O)c1cnccc1N(C)C ZINC000354157889 381112209 /nfs/dbraw/zinc/11/22/09/381112209.db2.gz JAVAAXZPJGRRMW-LBPRGKRZSA-N 0 1 261.369 2.622 20 30 CFEDMN CO[C@@](C)([C@H](C)NCc1cccc(F)c1C#N)C1CC1 ZINC000411968287 381075663 /nfs/dbraw/zinc/07/56/63/381075663.db2.gz JJXMKJDTKNOIDV-ZBEGNZNMSA-N 0 1 276.355 2.991 20 30 CFEDMN CCn1nccc1C1CCN(Cc2ccc(C#N)o2)CC1 ZINC000279345579 194394047 /nfs/dbraw/zinc/39/40/47/194394047.db2.gz FQKHBIWVUUMNTN-UHFFFAOYSA-N 0 1 284.363 2.747 20 30 CFEDMN N#Cc1cc(Cl)ccc1CN[C@@H]1CCO[C@@H]1C1CC1 ZINC000368904637 381158837 /nfs/dbraw/zinc/15/88/37/381158837.db2.gz LHFLRFHIUIEABF-HUUCEWRRSA-N 0 1 276.767 2.869 20 30 CFEDMN Cc1ccc2nc(CNC(=O)c3cscc3C#N)[nH]c2c1 ZINC000341674652 381165138 /nfs/dbraw/zinc/16/51/38/381165138.db2.gz OZUDHLVMWUAIHY-UHFFFAOYSA-N 0 1 296.355 2.735 20 30 CFEDMN C=CCCCCNC(=O)c1ccc(-c2nnc[nH]2)cc1 ZINC000354278875 381179324 /nfs/dbraw/zinc/17/93/24/381179324.db2.gz WMBBDAGZXYJSQF-UHFFFAOYSA-N 0 1 270.336 2.558 20 30 CFEDMN C[C@@H](C#N)CN(C)C(=O)[C@H]1CCCCN1Cc1ccccc1 ZINC000342424822 381326074 /nfs/dbraw/zinc/32/60/74/381326074.db2.gz NEEQGGFRVLNLQL-DOTOQJQBSA-N 0 1 299.418 2.659 20 30 CFEDMN N#CCc1cccc(C(=O)[C@H](C#N)c2ccccn2)c1 ZINC000049458744 412943494 /nfs/dbraw/zinc/94/34/94/412943494.db2.gz ADQKTNVHXYZDSM-CQSZACIVSA-N 0 1 261.284 2.638 20 30 CFEDMN C#C[C@@H](NCc1cc(OC)c(OC)cc1OC)C(C)(C)C ZINC000290213926 381344679 /nfs/dbraw/zinc/34/46/79/381344679.db2.gz QWOBOMMACFHMFB-MRXNPFEDSA-N 0 1 291.391 2.850 20 30 CFEDMN CC(C)(C)[C@@H]1CCN(Cc2cccc(C#N)c2F)C[C@@H]1O ZINC000347780424 381345389 /nfs/dbraw/zinc/34/53/89/381345389.db2.gz GRXBMSFEPWMAMC-CABCVRRESA-N 0 1 290.382 2.926 20 30 CFEDMN C=CCC[C@@H](O)CNC(C)(C)c1ncc(C)s1 ZINC000183980664 381349933 /nfs/dbraw/zinc/34/99/33/381349933.db2.gz WUFLAXJICPOMLZ-LLVKDONJSA-N 0 1 254.399 2.603 20 30 CFEDMN COC[C@H](NCCOc1ccccc1C#N)c1ccco1 ZINC000184575620 381436506 /nfs/dbraw/zinc/43/65/06/381436506.db2.gz RFKXFNOTSMRLIE-AWEZNQCLSA-N 0 1 286.331 2.507 20 30 CFEDMN CC(C)(CCC#N)CN[C@H](c1ncc[nH]1)c1cccnc1 ZINC000348203843 381472430 /nfs/dbraw/zinc/47/24/30/381472430.db2.gz DNLCYZAZMMCOLD-AWEZNQCLSA-N 0 1 283.379 2.814 20 30 CFEDMN C[C@H](NCCCC(C)(C)C#N)c1nnnn1-c1ccccc1 ZINC000184801878 381479279 /nfs/dbraw/zinc/47/92/79/381479279.db2.gz DRYRYXRSYWIYLF-ZDUSSCGKSA-N 0 1 298.394 2.643 20 30 CFEDMN CC1(C)CC[C@H](CN2CCN(c3ccccc3C#N)CC2)O1 ZINC000184652974 381454126 /nfs/dbraw/zinc/45/41/26/381454126.db2.gz OQALSTBNHTXKOR-MRXNPFEDSA-N 0 1 299.418 2.638 20 30 CFEDMN C=CCOCCCN[C@@H](c1nc(C2CC2)no1)C(C)C ZINC000348052324 381458175 /nfs/dbraw/zinc/45/81/75/381458175.db2.gz NZKUMVBLMXSHFT-CYBMUJFWSA-N 0 1 279.384 2.826 20 30 CFEDMN C=CCN(Cc1cccs1)CC1CCS(=O)(=O)CC1 ZINC000348053504 381458792 /nfs/dbraw/zinc/45/87/92/381458792.db2.gz VIRUXJNMANTNHD-UHFFFAOYSA-N 0 1 299.461 2.561 20 30 CFEDMN C[C@H](NCc1n[nH]c(C2CC2)n1)c1ccc(C#N)c(F)c1 ZINC000296600758 381466222 /nfs/dbraw/zinc/46/62/22/381466222.db2.gz VNWUNZCYCSNOKQ-VIFPVBQESA-N 0 1 285.326 2.544 20 30 CFEDMN C=CCOCCCN(C)Cc1cc(C(C)(C)C)n[nH]1 ZINC000348172765 381467927 /nfs/dbraw/zinc/46/79/27/381467927.db2.gz ZBYYWGTVSUUWRC-UHFFFAOYSA-N 0 1 265.401 2.732 20 30 CFEDMN C=CC1CCN(CC(=O)Nc2ccc(OCC)cc2)CC1 ZINC000348189362 381469584 /nfs/dbraw/zinc/46/95/84/381469584.db2.gz QZMPHTIPMJVVSI-UHFFFAOYSA-N 0 1 288.391 2.922 20 30 CFEDMN C=CCCCC(=O)N1CC(N(C)Cc2ccccc2)C1 ZINC000342743179 381513104 /nfs/dbraw/zinc/51/31/04/381513104.db2.gz PIGXMZAVDSPYNL-UHFFFAOYSA-N 0 1 272.392 2.686 20 30 CFEDMN Cc1csc(C(C#N)C(=O)c2cnn3ccccc23)n1 ZINC000342760408 381521060 /nfs/dbraw/zinc/52/10/60/381521060.db2.gz ZPDBSMGMGSRMHB-SNVBAGLBSA-N 0 1 282.328 2.589 20 30 CFEDMN C=CCOc1ccccc1CN1CCCO[C@H](CF)C1 ZINC000414475463 381587152 /nfs/dbraw/zinc/58/71/52/381587152.db2.gz HEKBULPIDUAEMI-OAHLLOKOSA-N 0 1 279.355 2.812 20 30 CFEDMN Cc1nc(N[C@H]2CCN(C(C)C)C2)c(Cl)cc1C#N ZINC000290974999 381618225 /nfs/dbraw/zinc/61/82/25/381618225.db2.gz PFLBSYZMADJAHP-LBPRGKRZSA-N 0 1 278.787 2.810 20 30 CFEDMN CC[C@@H]1CN(Cc2ccc(CC#N)cc2)C[C@@H](C)O1 ZINC000343507947 381759718 /nfs/dbraw/zinc/75/97/18/381759718.db2.gz HXXOWQHWACGGKG-CZUORRHYSA-N 0 1 258.365 2.752 20 30 CFEDMN C=CCNC(=O)CN[C@H](C)c1cc2cccc(F)c2o1 ZINC000355728619 381799399 /nfs/dbraw/zinc/79/93/99/381799399.db2.gz CTFCPKYTWHRVFL-SNVBAGLBSA-N 0 1 276.311 2.525 20 30 CFEDMN C=CCC[C@H](O)CN1CCO[C@H](CCc2ccccc2)C1 ZINC000186097487 381823418 /nfs/dbraw/zinc/82/34/18/381823418.db2.gz XEPCTXWOKJCFKD-ZWKOTPCHSA-N 0 1 289.419 2.647 20 30 CFEDMN COc1ccc(C#N)cc1CN(C(C)C)[C@@H]1CCOC1 ZINC000361408532 381827850 /nfs/dbraw/zinc/82/78/50/381827850.db2.gz OCLPCCSAEDPGJI-OAHLLOKOSA-N 0 1 274.364 2.566 20 30 CFEDMN CC#CCSc1nc(C=Cc2ccc(C)o2)n[nH]1 ZINC000361448821 381829864 /nfs/dbraw/zinc/82/98/64/381829864.db2.gz HGFRHYNNRNJKRL-FPLPWBNLSA-N 0 1 259.334 2.992 20 30 CFEDMN Cc1c[nH]cc1C(=O)C(C#N)c1cnc2ccccc2n1 ZINC000361540331 381840134 /nfs/dbraw/zinc/84/01/34/381840134.db2.gz IYJTXNIJGHYTLM-LLVKDONJSA-N 0 1 276.299 2.756 20 30 CFEDMN Cc1c[nH]cc1C(=O)C(C#N)c1cnc2ccccc2n1 ZINC000361540333 381842286 /nfs/dbraw/zinc/84/22/86/381842286.db2.gz IYJTXNIJGHYTLM-NSHDSACASA-N 0 1 276.299 2.756 20 30 CFEDMN CCOc1ccc2nc(SCCOCCC#N)[nH]c2c1 ZINC000292695774 381818433 /nfs/dbraw/zinc/81/84/33/381818433.db2.gz NIDWHZAETLDRMQ-UHFFFAOYSA-N 0 1 291.376 2.984 20 30 CFEDMN CC[C@@H](CC1CCCCC1)C(=O)N=c1[nH]n(C)cc1C#N ZINC000415250859 381818979 /nfs/dbraw/zinc/81/89/79/381818979.db2.gz DPGWAFVUERWJKD-ZDUSSCGKSA-N 0 1 288.395 2.649 20 30 CFEDMN C=CCOCCCN1C[C@H](O)C[C@H]1c1ccc(F)c(F)c1 ZINC000343680712 381883757 /nfs/dbraw/zinc/88/37/57/381883757.db2.gz GIEICEGHIPUGKR-CJNGLKHVSA-N 0 1 297.345 2.665 20 30 CFEDMN CCN(CC#Cc1ccccc1Cl)[C@@H]1CCOC1 ZINC000361586218 381847485 /nfs/dbraw/zinc/84/74/85/381847485.db2.gz GUYCXRWEMAQOQG-CQSZACIVSA-N 0 1 263.768 2.802 20 30 CFEDMN CC1=C(C)CN([C@@H](C)C(=O)NC2(C#N)CCCCC2)CC1 ZINC000361621012 381850768 /nfs/dbraw/zinc/85/07/68/381850768.db2.gz TUIYBAWILVQFGN-HNNXBMFYSA-N 0 1 289.423 2.760 20 30 CFEDMN CN1CCN(CC#Cc2ccccc2)Cc2ccccc21 ZINC000361714242 381857017 /nfs/dbraw/zinc/85/70/17/381857017.db2.gz OLQFNRXNFGOVCE-UHFFFAOYSA-N 0 1 276.383 2.990 20 30 CFEDMN CN(CC#Cc1ccccc1)[C@H](CO)c1ccccc1 ZINC000361713572 381857921 /nfs/dbraw/zinc/85/79/21/381857921.db2.gz YXRJXEJKFWGIIP-GOSISDBHSA-N 0 1 265.356 2.704 20 30 CFEDMN N#CC(C(=O)c1cc2[nH]ccc2s1)c1ccncn1 ZINC000361792684 381863035 /nfs/dbraw/zinc/86/30/35/381863035.db2.gz PLLSABFICFBUIM-MRVPVSSYSA-N 0 1 268.301 2.509 20 30 CFEDMN COc1ccc2c(c1)OCC[C@@H]2NCc1cc(C#N)n(C)c1 ZINC000372771871 381865417 /nfs/dbraw/zinc/86/54/17/381865417.db2.gz ICAXCDYUCWSLQQ-INIZCTEOSA-N 0 1 297.358 2.519 20 30 CFEDMN C=CCC(F)(F)C(=O)N[C@H]1CCN(Cc2ccccc2)C1 ZINC000292855087 381866798 /nfs/dbraw/zinc/86/67/98/381866798.db2.gz SOJNVDIISZQOQT-AWEZNQCLSA-N 0 1 294.345 2.589 20 30 CFEDMN C=CCN(CC=C)C(=O)[C@@H](C)N1CCc2cc(C)ccc2C1 ZINC000361849860 381867832 /nfs/dbraw/zinc/86/78/32/381867832.db2.gz OAMYUVLYOOVWJI-MRXNPFEDSA-N 0 1 298.430 2.942 20 30 CFEDMN N#Cc1csc(CN2CCSC3(CCOCC3)C2)c1 ZINC000186495083 381926026 /nfs/dbraw/zinc/92/60/26/381926026.db2.gz CKKYWMVNOBPZMO-UHFFFAOYSA-N 0 1 294.445 2.718 20 30 CFEDMN N#CC(CCc1ccccc1)C(=O)NCC1(C#N)CCC1 ZINC000416346964 381889253 /nfs/dbraw/zinc/88/92/53/381889253.db2.gz NMIWZDRJLKCBSV-OAHLLOKOSA-N 0 1 281.359 2.569 20 30 CFEDMN C=C(C)CN(Cc1ccccc1)C(=O)[C@@H]1C[C@@H]1c1nc[nH]n1 ZINC000373416764 382000423 /nfs/dbraw/zinc/00/04/23/382000423.db2.gz IVWSBLXLRCBEMW-LSDHHAIUSA-N 0 1 296.374 2.513 20 30 CFEDMN C=CC[C@H](CO)N[C@@H](C)c1nc2c(s1)CCCC2 ZINC000186713167 381991620 /nfs/dbraw/zinc/99/16/20/381991620.db2.gz RDSKAWDEZIHVOF-WDEREUQCSA-N 0 1 266.410 2.610 20 30 CFEDMN N#Cc1ccc(CN2CC[C@@H](n3cnc4c3CCCC4)C2)o1 ZINC000299740834 382041524 /nfs/dbraw/zinc/04/15/24/382041524.db2.gz BZSJURVNZVOCJA-CYBMUJFWSA-N 0 1 296.374 2.674 20 30 CFEDMN COc1ccc(CN(C)[C@H](C)CCC#N)c(OC)c1 ZINC000351608136 382048845 /nfs/dbraw/zinc/04/88/45/382048845.db2.gz LZULQYLHZZRZPH-GFCCVEGCSA-N 0 1 262.353 2.828 20 30 CFEDMN COCC(C)(C)NCc1ccc(Cl)cc1C#N ZINC000186939677 382052213 /nfs/dbraw/zinc/05/22/13/382052213.db2.gz AHQWBCDNQYTOSB-UHFFFAOYSA-N 0 1 252.745 2.726 20 30 CFEDMN C=C(C)CN(CC)C(=O)c1cn[nH]c1-c1ccccn1 ZINC000351732435 382059224 /nfs/dbraw/zinc/05/92/24/382059224.db2.gz XOOUKFCFFYFWOG-UHFFFAOYSA-N 0 1 270.336 2.510 20 30 CFEDMN C=CCN1CCC(Nc2nc(C)c(C)s2)CC1 ZINC000362351142 382020674 /nfs/dbraw/zinc/02/06/74/382020674.db2.gz IHMFBEFNUZBRCM-UHFFFAOYSA-N 0 1 251.399 2.822 20 30 CFEDMN C=C[C@@H]1OCC[C@H]1c1nc(-c2ccc3[nH]cnc3c2)no1 ZINC000351080805 382024809 /nfs/dbraw/zinc/02/48/09/382024809.db2.gz GOLKTOPYGARISG-MFKMUULPSA-N 0 1 282.303 2.671 20 30 CFEDMN C=C[C@@H]1OCC[C@H]1c1nc(-c2cc3nc[nH]c3c(C)c2)no1 ZINC000351086797 382026157 /nfs/dbraw/zinc/02/61/57/382026157.db2.gz TUBRKXVCLBJYJP-YPMHNXCESA-N 0 1 296.330 2.980 20 30 CFEDMN C=CCC(C)(C)CNC(=O)NCCCc1cn[nH]c1C ZINC000293232022 382040215 /nfs/dbraw/zinc/04/02/15/382040215.db2.gz VVYKTYGHQCSRFF-UHFFFAOYSA-N 0 1 278.400 2.552 20 30 CFEDMN Cc1ccc2nc(CNc3cccnc3C#N)[nH]c2c1 ZINC000357494381 382194597 /nfs/dbraw/zinc/19/45/97/382194597.db2.gz XEJYRTXUNYQACG-UHFFFAOYSA-N 0 1 263.304 2.750 20 30 CFEDMN C[C@H]1CN(Cc2ccccc2)CCN1c1cccc(C#N)n1 ZINC000301808605 382194721 /nfs/dbraw/zinc/19/47/21/382194721.db2.gz AWWFCSWYDYXCEL-HNNXBMFYSA-N 0 1 292.386 2.664 20 30 CFEDMN CC(C)(C)[C@H]1CCN(CC(=O)Nc2sccc2C#N)C1 ZINC000344209130 382200430 /nfs/dbraw/zinc/20/04/30/382200430.db2.gz LBULKWMUUOHFAV-LBPRGKRZSA-N 0 1 291.420 2.926 20 30 CFEDMN C#Cc1ccc(CNCc2c(C)onc2CC)cc1 ZINC000293702173 382239808 /nfs/dbraw/zinc/23/98/08/382239808.db2.gz RRFLFXLQIRTMGM-UHFFFAOYSA-N 0 1 254.333 2.817 20 30 CFEDMN CC(C)[C@@]1(CO)CCN(Cc2cc(C#N)ccc2F)C1 ZINC000377623566 382304856 /nfs/dbraw/zinc/30/48/56/382304856.db2.gz FMTMAPOLBHBWCH-INIZCTEOSA-N 0 1 276.355 2.538 20 30 CFEDMN CC(C)(C)NC(=O)C(C#N)c1ncc(C(C)(C)C)s1 ZINC000419843590 382324547 /nfs/dbraw/zinc/32/45/47/382324547.db2.gz XUOOPANJFSELOE-VIFPVBQESA-N 0 1 279.409 2.962 20 30 CFEDMN Cc1cc(C[C@@H](C)Nc2c(C#N)cccc2C#N)[nH]n1 ZINC000302877292 382340543 /nfs/dbraw/zinc/34/05/43/382340543.db2.gz GKOSVABJPVDQMS-SNVBAGLBSA-N 0 1 265.320 2.505 20 30 CFEDMN Cc1cc(C[C@H](C)Nc2c(C#N)cccc2C#N)[nH]n1 ZINC000302877290 382340908 /nfs/dbraw/zinc/34/09/08/382340908.db2.gz GKOSVABJPVDQMS-JTQLQIEISA-N 0 1 265.320 2.505 20 30 CFEDMN Cc1ccc(N2CCN(Cc3ccccc3)CC2)nc1C#N ZINC000302701402 382296282 /nfs/dbraw/zinc/29/62/82/382296282.db2.gz IKUYBXGNGXKVCE-UHFFFAOYSA-N 0 1 292.386 2.584 20 30 CFEDMN CCOc1ccccc1NC(=O)c1ccc(C#N)c(O)c1 ZINC000188246811 382376538 /nfs/dbraw/zinc/37/65/38/382376538.db2.gz XDALPIFQWUMNNK-UHFFFAOYSA-N 0 1 282.299 2.915 20 30 CFEDMN C=C[C@@H](CO)N[C@@H]1CCc2sc(Br)cc21 ZINC000294028594 382385047 /nfs/dbraw/zinc/38/50/47/382385047.db2.gz FKBORXZQYFOZSB-IONNQARKSA-N 0 1 288.210 2.634 20 30 CFEDMN N#Cc1ccc(C(=O)Nc2ccccc2-c2nnc[nH]2)cc1 ZINC000378260565 382426865 /nfs/dbraw/zinc/42/68/65/382426865.db2.gz MUYKNTLKOJZQJY-UHFFFAOYSA-N 0 1 289.298 2.596 20 30 CFEDMN COc1cc(C#N)ccc1CN1CCC(c2cn[nH]c2)CC1 ZINC000378360955 382448048 /nfs/dbraw/zinc/44/80/48/382448048.db2.gz DGOZFYLGXZOQCY-UHFFFAOYSA-N 0 1 296.374 2.670 20 30 CFEDMN C[C@@H](C(=O)Nc1ccccc1C#N)N1CC[C@@H](C2CC2)C1 ZINC000378317987 382433109 /nfs/dbraw/zinc/43/31/09/382433109.db2.gz MERQSRPLKNPSJA-SWLSCSKDSA-N 0 1 283.375 2.617 20 30 CFEDMN C[C@@H](O)C[C@H]1CCCN1CC#Cc1ccccc1Cl ZINC000305199562 382433896 /nfs/dbraw/zinc/43/38/96/382433896.db2.gz AAJSXHHRIDGXNZ-UKRRQHHQSA-N 0 1 277.795 2.927 20 30 CFEDMN C[C@H](O)C[C@H]1CCCN1CC#Cc1ccccc1Cl ZINC000305199559 382434283 /nfs/dbraw/zinc/43/42/83/382434283.db2.gz AAJSXHHRIDGXNZ-DZGCQCFKSA-N 0 1 277.795 2.927 20 30 CFEDMN CC[C@@H](CC#N)NC(=O)c1ccc(Nc2ccncc2)cc1 ZINC000358076666 382440177 /nfs/dbraw/zinc/44/01/77/382440177.db2.gz WKQCRESAUSUHAE-AWEZNQCLSA-N 0 1 294.358 2.669 20 30 CFEDMN CC(C)(C#N)CCCC[N@H+]1CCOC[C@@H]1[C@H]1CCCC1=O ZINC000365468644 382399204 /nfs/dbraw/zinc/39/92/04/382399204.db2.gz XZZWJZWHJLBCPE-HUUCEWRRSA-N 0 1 292.423 2.776 20 30 CFEDMN CC(C)(C#N)CCCCN1CCOC[C@@H]1[C@H]1CCCC1=O ZINC000365468644 382399207 /nfs/dbraw/zinc/39/92/07/382399207.db2.gz XZZWJZWHJLBCPE-HUUCEWRRSA-N 0 1 292.423 2.776 20 30 CFEDMN C=CCC[C@H](CCC)N1CCO[C@H](c2nncn2CC)C1 ZINC000365530546 382409507 /nfs/dbraw/zinc/40/95/07/382409507.db2.gz WFAOACJDJLQYAA-GJZGRUSLSA-N 0 1 292.427 2.806 20 30 CFEDMN N#Cc1csc(CN[C@H](CCO)c2ccccc2)c1 ZINC000304621925 382413353 /nfs/dbraw/zinc/41/33/53/382413353.db2.gz IMGOQNGDPZRYBK-OAHLLOKOSA-N 0 1 272.373 2.833 20 30 CFEDMN C=CCN1CC=C(c2cc(C)c(N)c([N+](=O)[O-])c2)CC1 ZINC000365883962 382454445 /nfs/dbraw/zinc/45/44/45/382454445.db2.gz GWZMHUDZRHGPQT-UHFFFAOYSA-N 0 1 273.336 2.761 20 30 CFEDMN N#C[C@H](c1ccccc1)[C@H]1CCCN1C[C@H]1C[C@@H](O)C1 ZINC000420911371 382494916 /nfs/dbraw/zinc/49/49/16/382494916.db2.gz GIKDFEVGVRRZMP-XLNGHYISSA-N 0 1 270.376 2.529 20 30 CFEDMN C[C@@H](C1CC1)n1cc(NC(=O)c2ccc(C#N)c(O)c2)cn1 ZINC000188830827 382487480 /nfs/dbraw/zinc/48/74/80/382487480.db2.gz VWHKUBCUNHABCV-JTQLQIEISA-N 0 1 296.330 2.684 20 30 CFEDMN Cc1ccc(CNCc2cc(C#N)cs2)nc1C ZINC000314779265 382527661 /nfs/dbraw/zinc/52/76/61/382527661.db2.gz LYZFIJBCGRXWKH-UHFFFAOYSA-N 0 1 257.362 2.921 20 30 CFEDMN COc1ccc(CNCc2ccc(C#N)c(C)c2)c(OC)n1 ZINC000353158076 382502946 /nfs/dbraw/zinc/50/29/46/382502946.db2.gz VPFDFAQPERYASQ-UHFFFAOYSA-N 0 1 297.358 2.569 20 30 CFEDMN C#CCN(C)CCC[NH2+][C@H](C)c1cc(Cl)ccc1[O-] ZINC000294546885 382515365 /nfs/dbraw/zinc/51/53/65/382515365.db2.gz AXGKYKGUVPHMLC-GFCCVEGCSA-N 0 1 280.799 2.651 20 30 CFEDMN C=CC[C@@H](CC)N[C@H](C)c1ncc(C(=O)OC)s1 ZINC000315424435 382528971 /nfs/dbraw/zinc/52/89/71/382528971.db2.gz XCAIIWJGKPYZPA-NXEZZACHSA-N 0 1 268.382 2.935 20 30 CFEDMN CC(C)(C#N)CCCN1CC[S@](=O)C(C)(C)CC1 ZINC000321883150 382539988 /nfs/dbraw/zinc/53/99/88/382539988.db2.gz NBUBCDJFVDVGBU-SFHVURJKSA-N 0 1 270.442 2.549 20 30 CFEDMN Cc1nc([C@@H]2CCCCN2Cc2cc(C#N)ccc2F)n[nH]1 ZINC000366718801 382543965 /nfs/dbraw/zinc/54/39/65/382543965.db2.gz NYSRWXHFARUKOX-HNNXBMFYSA-N 0 1 299.353 2.851 20 30 CFEDMN CC[C@@H](CC#N)NCc1cc(-n2ccnc2)cs1 ZINC000358281647 382545565 /nfs/dbraw/zinc/54/55/65/382545565.db2.gz RRSOYPFDDNSRGB-NSHDSACASA-N 0 1 260.366 2.716 20 30 CFEDMN C=CC[C@@H]1N(C(=O)[C@@H]2C[C@H]2c2nc[nH]n2)CCCC1(C)C ZINC000366780529 382549764 /nfs/dbraw/zinc/54/97/64/382549764.db2.gz UJNVFWDVVZUUIH-UPJWGTAASA-N 0 1 288.395 2.502 20 30 CFEDMN C=CCCC(=O)N[C@H]1CCN(C)[C@H]1c1ccc(F)cc1 ZINC000366840248 382553006 /nfs/dbraw/zinc/55/30/06/382553006.db2.gz GBEPLZPMMWUPIY-HOCLYGCPSA-N 0 1 276.355 2.653 20 30 CFEDMN CC(C)c1nc([C@H](C)NC(=O)N2CCC(C)CC2)n[nH]1 ZINC000328617096 382554694 /nfs/dbraw/zinc/55/46/94/382554694.db2.gz TVEODDNLWYLCMY-NSHDSACASA-N 0 1 279.388 2.635 20 30 CFEDMN CC(=O)Nc1ccn([C@H]2CCN([C@@H](C)c3ccccn3)C2)n1 ZINC000328617208 382555090 /nfs/dbraw/zinc/55/50/90/382555090.db2.gz CLVVUEUENNUNJG-JSGCOSHPSA-N 0 1 299.378 2.894 20 30 CFEDMN CC1=CCN(CCNc2nc3c(cc2C#N)CCC3)CC1 ZINC000358317225 382565736 /nfs/dbraw/zinc/56/57/36/382565736.db2.gz ZJSHLZMDQGHBIW-UHFFFAOYSA-N 0 1 282.391 2.506 20 30 CFEDMN C=CC[C@H](CO)NCc1ccsc1Br ZINC000320221655 382536450 /nfs/dbraw/zinc/53/64/50/382536450.db2.gz HBCBMGBYGFETHQ-SECBINFHSA-N 0 1 276.199 2.537 20 30 CFEDMN Cc1cc(C)c(CNCc2cccc(C#N)c2)cn1 ZINC000397020073 382632395 /nfs/dbraw/zinc/63/23/95/382632395.db2.gz LNPXYFIAFQFHRO-UHFFFAOYSA-N 0 1 251.333 2.860 20 30 CFEDMN COC(=O)C1CCN([C@H](C)c2cccc(C#N)c2)CC1 ZINC000189345623 382595555 /nfs/dbraw/zinc/59/55/55/382595555.db2.gz MWFDOWBRTXQQND-GFCCVEGCSA-N 0 1 272.348 2.504 20 30 CFEDMN C[C@@]1(F)CCCN(CCC(=O)Nc2ccccc2C#N)C1 ZINC000295288501 382607905 /nfs/dbraw/zinc/60/79/05/382607905.db2.gz DMMLJZIMPHNUHE-MRXNPFEDSA-N 0 1 289.354 2.711 20 30 CFEDMN C=CCC[C@@H](C(=O)N[C@@H](C)c1nnc[nH]1)c1ccccc1 ZINC000190005099 382649919 /nfs/dbraw/zinc/64/99/19/382649919.db2.gz JSCOZVBEWSKRBH-GXTWGEPZSA-N 0 1 284.363 2.732 20 30 CFEDMN CCN(C)c1ccc(CNCc2cccc(C#N)c2)cn1 ZINC000190749923 382679544 /nfs/dbraw/zinc/67/95/44/382679544.db2.gz MPOUKGSJHPUYFD-UHFFFAOYSA-N 0 1 280.375 2.699 20 30 CFEDMN CC(C)CCOC1CCN(Cc2cc(C#N)n(C)c2)CC1 ZINC000191257006 382697204 /nfs/dbraw/zinc/69/72/04/382697204.db2.gz IFSYRSQVWNAXJZ-UHFFFAOYSA-N 0 1 289.423 2.924 20 30 CFEDMN COC(=O)[C@@H](C)N(CCCC(C)(C)C#N)C1CCC1 ZINC000192385930 382708125 /nfs/dbraw/zinc/70/81/25/382708125.db2.gz BPWIPZZYQAAADZ-GFCCVEGCSA-N 0 1 266.385 2.732 20 30 CFEDMN C[C@H](CC#N)N(C)CCCc1ccc2c(c1)CCO2 ZINC000193245785 382717248 /nfs/dbraw/zinc/71/72/48/382717248.db2.gz UXKXLTIXIOTVJF-CYBMUJFWSA-N 0 1 258.365 2.788 20 30 CFEDMN COCc1cccc(C=C(C)c2nc(C)c(C#N)c(=O)[nH]2)c1 ZINC000193608204 382721437 /nfs/dbraw/zinc/72/14/37/382721437.db2.gz NSOOOIKFSQSYAC-YRNVUSSQSA-N 0 1 295.342 2.657 20 30 CFEDMN C=CCN1CC[C@@H](N(CC)Cc2ccc(Cl)cc2)C1=O ZINC000337139790 382766887 /nfs/dbraw/zinc/76/68/87/382766887.db2.gz QJIXQEPTXQLSPB-OAHLLOKOSA-N 0 1 292.810 2.949 20 30 CFEDMN CC[C@@H](C)N(CCCC(C)(C)C#N)CC(=O)OC ZINC000337217805 382778828 /nfs/dbraw/zinc/77/88/28/382778828.db2.gz ANAWPFYTXYHLIS-GFCCVEGCSA-N 0 1 254.374 2.590 20 30 CFEDMN C=CC[C@@H](CC)NC(=O)c1ccc(-c2nnc[nH]2)cc1 ZINC000337103386 382761368 /nfs/dbraw/zinc/76/13/68/382761368.db2.gz XYDKUHVANGPICY-CYBMUJFWSA-N 0 1 270.336 2.556 20 30 CFEDMN N#CCc1ccc(C(=O)Nc2ncc(C(F)(F)F)[nH]2)cc1 ZINC000337620746 382848845 /nfs/dbraw/zinc/84/88/45/382848845.db2.gz AEKMTRIMDWTNGQ-UHFFFAOYSA-N 0 1 294.236 2.747 20 30 CFEDMN C[C@@H](N[C@H]1CCN(C(C)(C)C)C1=O)c1cccc(C#N)c1 ZINC000575741373 382797368 /nfs/dbraw/zinc/79/73/68/382797368.db2.gz YKOLZUXWSGYAFL-DOMZBBRYSA-N 0 1 285.391 2.608 20 30 CFEDMN CCc1cc(OC)ccc1CN1CCC(C#N)CC1 ZINC000337562849 382842526 /nfs/dbraw/zinc/84/25/26/382842526.db2.gz WLSUJRWIJFZHHA-UHFFFAOYSA-N 0 1 258.365 2.993 20 30 CFEDMN N#Cc1cc(-c2nc(-c3ccc(O)c(F)c3)no2)ccn1 ZINC000232351133 382868675 /nfs/dbraw/zinc/86/86/75/382868675.db2.gz AKYYMKLMEUUQLD-UHFFFAOYSA-N 0 1 282.234 2.515 20 30 CFEDMN COC(=O)CN(CCCCC(C)(C)C#N)C(C)C ZINC000234513997 382874208 /nfs/dbraw/zinc/87/42/08/382874208.db2.gz XBSUXLDWQPBKMN-UHFFFAOYSA-N 0 1 254.374 2.590 20 30 CFEDMN COc1cc(CN2CCSC[C@@H]2C)ccc1C#N ZINC000234991182 382876001 /nfs/dbraw/zinc/87/60/01/382876001.db2.gz PHROPSCPGKLCPX-NSHDSACASA-N 0 1 262.378 2.504 20 30 CFEDMN COC[C@@H]1CCN(CC#Cc2ccccc2Cl)C1 ZINC000441166858 382898423 /nfs/dbraw/zinc/89/84/23/382898423.db2.gz KRIMXZSJEXJTFO-CYBMUJFWSA-N 0 1 263.768 2.660 20 30 CFEDMN CCn1cc(CN(C)[C@H](C)c2cccc(C#N)c2)cn1 ZINC000442691245 382945924 /nfs/dbraw/zinc/94/59/24/382945924.db2.gz UAJDFZSEKJJYSH-CYBMUJFWSA-N 0 1 268.364 2.968 20 30 CFEDMN CC(C)C[C@H](C)N(C)C(=O)CN1CCC(CC#N)CC1 ZINC000541024587 382965067 /nfs/dbraw/zinc/96/50/67/382965067.db2.gz NYGSJCXZPQOWPK-AWEZNQCLSA-N 0 1 279.428 2.505 20 30 CFEDMN C=C(C)CN1CC[C@@H](OC)C[C@@H]1CNC(=O)OC(C)(C)C ZINC000495103899 382961845 /nfs/dbraw/zinc/96/18/45/382961845.db2.gz GXNWRBXARZJUES-ZIAGYGMSSA-N 0 1 298.427 2.567 20 30 CFEDMN CN1CCC(C#N)(NC(=O)C[C@H]2CCCC(C)(C)C2)CC1 ZINC000540106684 382961967 /nfs/dbraw/zinc/96/19/67/382961967.db2.gz PSRMZQWRTRDDFP-CQSZACIVSA-N 0 1 291.439 2.697 20 30 CFEDMN N#C[C@@H]1CC[C@H](Nc2ccc(CCN3CCOCC3)cc2)C1 ZINC000442877643 382963024 /nfs/dbraw/zinc/96/30/24/382963024.db2.gz XFVCTMWNQQYUMR-AEFFLSMTSA-N 0 1 299.418 2.665 20 30 CFEDMN COC(=O)c1cccc(CN(C)CC(C)(C)C)c1C#N ZINC000534471402 382931582 /nfs/dbraw/zinc/93/15/82/382931582.db2.gz JPVKKHACNRCHPJ-UHFFFAOYSA-N 0 1 274.364 2.823 20 30 CFEDMN N#CCC1CCN(Cc2cc(-c3cccnc3)n[nH]2)CC1 ZINC000543782934 382973151 /nfs/dbraw/zinc/97/31/51/382973151.db2.gz SMYGXQZBWXNEFZ-UHFFFAOYSA-N 0 1 281.363 2.597 20 30 CFEDMN COC(=O)c1cc(CN2CCC(CC#N)CC2)c(C)o1 ZINC000543807947 382973580 /nfs/dbraw/zinc/97/35/80/382973580.db2.gz LUUUNMQMGLRECB-UHFFFAOYSA-N 0 1 276.336 2.500 20 30 CFEDMN CC(C)[C@@H]1CCC[N@H+]([C@H](C)C(=O)N[C@@](C)(C#N)C(C)C)C1 ZINC000444754551 382979690 /nfs/dbraw/zinc/97/96/90/382979690.db2.gz TWXOLPRLPQEAPA-INMHGKMJSA-N 0 1 293.455 2.797 20 30 CFEDMN C[C@@H](C#N)CN(C(=O)c1cc(-c2ccccc2)[nH]n1)C1CC1 ZINC000338301704 382983277 /nfs/dbraw/zinc/98/32/77/382983277.db2.gz GSCYCJKCAUAQCR-LBPRGKRZSA-N 0 1 294.358 2.841 20 30 CFEDMN C=C(CC)CN(CCNC(C)=O)Cc1ccc(C)s1 ZINC000338316323 382988917 /nfs/dbraw/zinc/98/89/17/382988917.db2.gz SJIFMEURIDXZPQ-UHFFFAOYSA-N 0 1 280.437 2.961 20 30 CFEDMN C=CCN1C(=O)N=NC1SCc1nc(C)sc1C ZINC000443521246 382967489 /nfs/dbraw/zinc/96/74/89/382967489.db2.gz HZHDYRUMTULXLO-UHFFFAOYSA-N 0 1 282.394 2.535 20 30 CFEDMN C=CCC[C@H](O)CN1C[C@H](c2ccccc2)OC[C@H]1C ZINC000245998122 383057272 /nfs/dbraw/zinc/05/72/72/383057272.db2.gz HYNDGVIPHCRRBO-HYVNUMGLSA-N 0 1 275.392 2.776 20 30 CFEDMN CC(C)c1nc(CNCCCC#N)c2ccccn21 ZINC000579483283 383020592 /nfs/dbraw/zinc/02/05/92/383020592.db2.gz KLHCIYXCXHTEHF-UHFFFAOYSA-N 0 1 256.353 2.851 20 30 CFEDMN C=CCCN1[C@@H](c2ccccc2)CC[C@H]1C(=O)OC ZINC000338544283 383022483 /nfs/dbraw/zinc/02/24/83/383022483.db2.gz YUEYGABZFQXGEH-CABCVRRESA-N 0 1 259.349 2.941 20 30 CFEDMN COC(=O)c1cccc(CN2C[C@@H](C)C[C@H]2C)c1C#N ZINC000550389959 383025028 /nfs/dbraw/zinc/02/50/28/383025028.db2.gz YPEYOOFHRIFENE-NWDGAFQWSA-N 0 1 272.348 2.575 20 30 CFEDMN C=CCC[C@H](O)C[N@H+]1C[C@H](C2CCCCC2)C[C@H]1C(=O)[O-] ZINC000579497166 383025008 /nfs/dbraw/zinc/02/50/08/383025008.db2.gz JKARMQSBGVBZMA-PMPSAXMXSA-N 0 1 295.423 2.669 20 30 CFEDMN Cc1[nH]n(-c2cccc3cnccc32)c(=O)c1CCC#N ZINC000601962089 383130245 /nfs/dbraw/zinc/13/02/45/383130245.db2.gz YIGQKHQLUUYRDZ-CYBMUJFWSA-N 0 1 278.315 2.877 20 30 CFEDMN Cc1cccc2nc([C@H](C#N)C(=O)Nc3nccs3)[nH]c21 ZINC000505422929 383141743 /nfs/dbraw/zinc/14/17/43/383141743.db2.gz RWHKJAMHRRVKSS-VIFPVBQESA-N 0 1 297.343 2.574 20 30 CFEDMN C=C[C@@H]1OCC[C@H]1C(=O)Nc1cc(C(=O)CC)ccc1O ZINC000582222735 383085917 /nfs/dbraw/zinc/08/59/17/383085917.db2.gz MHLDXKPGEPGGAK-ABAIWWIYSA-N 0 1 289.331 2.515 20 30 CFEDMN C=CCCC[C@@H](C)[N@H+]1CCSC[C@H]1CC(=O)[O-] ZINC000583268406 383088912 /nfs/dbraw/zinc/08/89/12/383088912.db2.gz OOLVAVWTSLSDOB-VXGBXAGGSA-N 0 1 257.399 2.623 20 30 CFEDMN C=C[C@H](CC(=O)N1CCNC[C@@H]1CCC)c1ccccc1 ZINC000583502953 383089546 /nfs/dbraw/zinc/08/95/46/383089546.db2.gz KTKAMAWTZLQNBF-WBVHZDCISA-N 0 1 286.419 2.947 20 30 CFEDMN N#Cc1ccccc1CN1CC[C@@H](c2nc(C3CC3)no2)C1 ZINC000583619064 383092015 /nfs/dbraw/zinc/09/20/15/383092015.db2.gz IKRAKLWUJTYCIQ-OAHLLOKOSA-N 0 1 294.358 2.808 20 30 CFEDMN N#C[C@@H]1CC[C@H](N[C@@H](c2ccccc2)c2cncnc2)C1 ZINC000583747339 383092992 /nfs/dbraw/zinc/09/29/92/383092992.db2.gz FCOLKUXSBQQRFI-COXVUDFISA-N 0 1 278.359 2.848 20 30 CFEDMN C[C@H](CCC#N)N1CCCN(C(=O)OC(C)(C)C)CC1 ZINC000496541043 383113400 /nfs/dbraw/zinc/11/34/00/383113400.db2.gz YBRKPNKTEUJQMW-CYBMUJFWSA-N 0 1 281.400 2.621 20 30 CFEDMN C[C@@H]1CCN(Cc2ccc(C#N)cc2F)C[C@H]1n1ccnc1 ZINC000246866542 383114620 /nfs/dbraw/zinc/11/46/20/383114620.db2.gz AWHBDTVIPVHHCB-CXAGYDPISA-N 0 1 298.365 2.977 20 30 CFEDMN C=C(C)CN(CC)C(=O)[C@@H](C)N1CCS[C@H](CC)C1 ZINC000247457722 383174855 /nfs/dbraw/zinc/17/48/55/383174855.db2.gz IBKVIDSASTYABS-ZIAGYGMSSA-N 0 1 284.469 2.627 20 30 CFEDMN C=CCn1c(CC2CC2)n[n-]c1=[NH+]c1cccc(OC)c1 ZINC000565273892 383177784 /nfs/dbraw/zinc/17/77/84/383177784.db2.gz PJLUINALTWUGNE-UHFFFAOYSA-N 0 1 284.363 2.591 20 30 CFEDMN COc1ccc(F)c(CNCc2cccc(C#N)c2)c1 ZINC000339181741 383179856 /nfs/dbraw/zinc/17/98/56/383179856.db2.gz PELAILDJHPROQK-UHFFFAOYSA-N 0 1 270.307 2.996 20 30 CFEDMN C=CCOCCN(Cc1cccs1)[C@H]1C=C[C@@H](CO)C1 ZINC000339197092 383183302 /nfs/dbraw/zinc/18/33/02/383183302.db2.gz FYYTXXZVHOOBLL-CABCVRRESA-N 0 1 293.432 2.690 20 30 CFEDMN C=C(C)COCCNCc1conc1Cc1ccccc1 ZINC000339298116 383189823 /nfs/dbraw/zinc/18/98/23/383189823.db2.gz VHYGDDZTGVYKQK-UHFFFAOYSA-N 0 1 286.375 2.948 20 30 CFEDMN CC#CCN(C)C[C@H](O)COc1cccc2ccccc21 ZINC000555759158 383149258 /nfs/dbraw/zinc/14/92/58/383149258.db2.gz FXLDZRALHKYHMM-INIZCTEOSA-N 0 1 283.371 2.535 20 30 CFEDMN C=CCC1(CNC(=O)CN2CC[C@H](C)C2)CCCC1 ZINC000514870756 383155908 /nfs/dbraw/zinc/15/59/08/383155908.db2.gz AJGBSMVYSYFCAP-AWEZNQCLSA-N 0 1 264.413 2.581 20 30 CFEDMN C=CCCCCN1CCN(CC(F)(F)C(F)F)CC1 ZINC000562533289 383160171 /nfs/dbraw/zinc/16/01/71/383160171.db2.gz HOUPRWBCGHNKQB-UHFFFAOYSA-N 0 1 282.325 2.861 20 30 CFEDMN C[C@H](CNC[C@H](C#N)CCC#N)N(C)c1ccccc1 ZINC000563805219 383168139 /nfs/dbraw/zinc/16/81/39/383168139.db2.gz DCYUTKUOYCRGOW-CABCVRRESA-N 0 1 270.380 2.544 20 30 CFEDMN N#C[C@@H]1CC[C@@H](N[C@@H](CO)c2cccc(Cl)c2F)C1 ZINC000339157517 383169905 /nfs/dbraw/zinc/16/99/05/383169905.db2.gz ZOMZLSYXMORCPM-BREBYQMCSA-N 0 1 282.746 2.794 20 30 CFEDMN COC(=O)c1ccc(CNCc2cc(C#N)cs2)cc1 ZINC000520660423 383268612 /nfs/dbraw/zinc/26/86/12/383268612.db2.gz SDGSEFOIANHAOV-UHFFFAOYSA-N 0 1 286.356 2.696 20 30 CFEDMN CCN(C[C@H](O)C(F)(F)F)[C@H](C)c1ccc(C#N)cc1 ZINC000248607090 383270357 /nfs/dbraw/zinc/27/03/57/383270357.db2.gz WQIFUKZWMCEENQ-MFKMUULPSA-N 0 1 286.297 2.864 20 30 CFEDMN C=CCOc1ccc(CNCc2n[nH]c(C(C)C)n2)cc1 ZINC000449406455 383271523 /nfs/dbraw/zinc/27/15/23/383271523.db2.gz XGVFJFCYFZYLPL-UHFFFAOYSA-N 0 1 286.379 2.783 20 30 CFEDMN C=C[C@@H]1CCCCN1C(=O)c1cc(-c2ccoc2)[nH]n1 ZINC000567443536 383276341 /nfs/dbraw/zinc/27/63/41/383276341.db2.gz OPYKLUMTPMRCQD-GFCCVEGCSA-N 0 1 271.320 2.850 20 30 CFEDMN CCN(CCCOc1ccc2c(c1)OCO2)C[C@H](C)C#N ZINC000248247527 383221416 /nfs/dbraw/zinc/22/14/16/383221416.db2.gz KDLYMYSSRKAQSM-CYBMUJFWSA-N 0 1 290.363 2.666 20 30 CFEDMN C=C[C@@H]1OCC[C@H]1NCc1nc(C(C)C)n2ccccc12 ZINC000567618122 383294662 /nfs/dbraw/zinc/29/46/62/383294662.db2.gz AYDKCQMCCRLJPU-CJNGLKHVSA-N 0 1 285.391 2.891 20 30 CFEDMN COC(=O)[C@@H]1[C@@H]2CCC[C@@H]2CN1Cc1ccc(C#N)cc1C ZINC000248889301 383304338 /nfs/dbraw/zinc/30/43/38/383304338.db2.gz YJAOHRPLQAUTMX-ZACQAIPSSA-N 0 1 298.386 2.640 20 30 CFEDMN CC#CCN(C)Cc1ccc2oc(C(=O)OC)cc2c1 ZINC000339759334 383307413 /nfs/dbraw/zinc/30/74/13/383307413.db2.gz LTBWQBWSOQOUBX-UHFFFAOYSA-N 0 1 271.316 2.675 20 30 CFEDMN C=CC[C@H](C)[C@@H](C)NCc1nn(C)cc1Br ZINC000449483717 383323832 /nfs/dbraw/zinc/32/38/32/383323832.db2.gz JZTJLDLIVZHJGM-VHSXEESVSA-N 0 1 286.217 2.873 20 30 CFEDMN CCc1cc(C(=O)N(C)[C@H](C)c2cccc(C#N)c2)n[nH]1 ZINC000425121370 383325820 /nfs/dbraw/zinc/32/58/20/383325820.db2.gz CCVMJSFKPLHWCN-LLVKDONJSA-N 0 1 282.347 2.677 20 30 CFEDMN C=CC(C)(C)C(=O)NCc1ccc(CN(C)C)c(F)c1 ZINC000450300224 383389478 /nfs/dbraw/zinc/38/94/78/383389478.db2.gz QHPHWODWNDEZCT-UHFFFAOYSA-N 0 1 278.371 2.716 20 30 CFEDMN CC1(C)CCCN(C(=O)c2cc(-c3ccoc3)[nH]n2)[C@H]1C#N ZINC000568585514 383416085 /nfs/dbraw/zinc/41/60/85/383416085.db2.gz ZLMFCNUCDCSGEB-AWEZNQCLSA-N 0 1 298.346 2.824 20 30 CFEDMN C=C[C@@H]1CCCCN1Cc1cnc(N(C)C)s1 ZINC000426546836 383404999 /nfs/dbraw/zinc/40/49/99/383404999.db2.gz XOAIQIPGBNEEKV-LLVKDONJSA-N 0 1 251.399 2.750 20 30 CFEDMN N#CC1(C[N@H+]2CC[C@H](CNc3ccccn3)C2)CCC1 ZINC000450427162 383405594 /nfs/dbraw/zinc/40/55/94/383405594.db2.gz RUAYFPVCDOKRSK-CQSZACIVSA-N 0 1 270.380 2.509 20 30 CFEDMN CCOC(=O)[C@@H]1CCCC[C@@H]1NCc1ccccc1C#N ZINC000449515364 383350508 /nfs/dbraw/zinc/35/05/08/383350508.db2.gz YVYMUZYBSLVGSJ-CVEARBPZSA-N 0 1 286.375 2.770 20 30 CFEDMN C=C[C@@H]1OCC[C@H]1NCc1ncccc1C(F)(F)F ZINC000449521946 383352576 /nfs/dbraw/zinc/35/25/76/383352576.db2.gz UCUVGCKIKDUZNY-PWSUYJOCSA-N 0 1 272.270 2.534 20 30 CFEDMN C=C[C@@H]1OCC[C@H]1NCc1ccc([N+](=O)[O-])cc1Cl ZINC000449520382 383352808 /nfs/dbraw/zinc/35/28/08/383352808.db2.gz PEZLYDJPDVAOBM-OLZOCXBDSA-N 0 1 282.727 2.681 20 30 CFEDMN C=CCOc1ccc(CN2C[C@@H](O)C[C@@H]2C)cc1Cl ZINC000471806477 383378406 /nfs/dbraw/zinc/37/84/06/383378406.db2.gz WYIBUIOHSIJUPF-AAEUAGOBSA-N 0 1 281.783 2.860 20 30 CFEDMN N#Cc1ccc(CN2CCCC[C@H]2[C@@H](O)C(F)(F)F)cc1 ZINC000340206150 383381933 /nfs/dbraw/zinc/38/19/33/383381933.db2.gz SUSCZQGFSWFDQY-UONOGXRCSA-N 0 1 298.308 2.836 20 30 CFEDMN C=C(C)CN(C)CC(=O)NC12CC3CC(CC(C3)C1)C2 ZINC000481270619 383426488 /nfs/dbraw/zinc/42/64/88/383426488.db2.gz RQUPKTSSESBYFF-UHFFFAOYSA-N 0 1 276.424 2.579 20 30 CFEDMN Cc1ccccc1[C@@H](N)C(=O)N1CCC(CCC#N)CC1 ZINC000568767453 383436243 /nfs/dbraw/zinc/43/62/43/383436243.db2.gz WVYVDTZOKXRIII-MRXNPFEDSA-N 0 1 285.391 2.537 20 30 CFEDMN CC(C)c1nc(CN[C@H](C)c2ccc(C#N)cc2F)n[nH]1 ZINC000428357309 383456643 /nfs/dbraw/zinc/45/66/43/383456643.db2.gz DCFOFNBVWFVSCA-SNVBAGLBSA-N 0 1 287.342 2.790 20 30 CFEDMN N#Cc1c(F)cccc1CN(CCO)C1CCCCC1 ZINC000428370278 383460170 /nfs/dbraw/zinc/46/01/70/383460170.db2.gz PCOWNTLJJKYZST-UHFFFAOYSA-N 0 1 276.355 2.824 20 30 CFEDMN C=CCC1(C(=O)N2CCN(C)[C@H](C)[C@H]2C)CCCC1 ZINC000450559414 383461460 /nfs/dbraw/zinc/46/14/60/383461460.db2.gz FLUULDMSPNHTPN-ZIAGYGMSSA-N 0 1 264.413 2.674 20 30 CFEDMN COc1ccc(O)c(C=NNc2nc3ccccc3n2C)c1 ZINC000254696152 383469984 /nfs/dbraw/zinc/46/99/84/383469984.db2.gz GAEQDBYTONVKQM-UHFFFAOYSA-N 0 1 296.330 2.734 20 30 CFEDMN N#CC1(CSc2nc(-c3ccccc3O)n[nH]2)CCC1 ZINC000450769853 383487062 /nfs/dbraw/zinc/48/70/62/383487062.db2.gz YCEKIDVJKUFOGK-UHFFFAOYSA-N 0 1 286.360 2.963 20 30 CFEDMN CN(CC1(C#N)CCC1)CC1(O)CCCCCC1 ZINC000450781028 383489084 /nfs/dbraw/zinc/48/90/84/383489084.db2.gz RVUZDBFTFRAGDS-UHFFFAOYSA-N 0 1 250.386 2.697 20 30 CFEDMN Cc1cc(CN[C@H](CO)c2ccccc2)ccc1C#N ZINC000488121855 383498008 /nfs/dbraw/zinc/49/80/08/383498008.db2.gz GLARYPXFDMBOBJ-QGZVFWFLSA-N 0 1 266.344 2.690 20 30 CFEDMN CSC[C@H]1CCCN(C[C@@H](C#N)CCC#N)C1 ZINC000429296055 383515697 /nfs/dbraw/zinc/51/56/97/383515697.db2.gz RIFDEVQIIRVZMS-OLZOCXBDSA-N 0 1 251.399 2.505 20 30 CFEDMN Cc1ccc(C)c(CN(C)[C@H](C)C(=O)NC2(C#N)CCC2)c1 ZINC000429300261 383517954 /nfs/dbraw/zinc/51/79/54/383517954.db2.gz HTWDPWZDHSJJHP-OAHLLOKOSA-N 0 1 299.418 2.686 20 30 CFEDMN C=CCN(Cc1ccccc1)C(=O)[C@@H]1C[C@H]1c1cnc[nH]1 ZINC000635263272 383521820 /nfs/dbraw/zinc/52/18/20/383521820.db2.gz NCAHCMBCPSTQQT-HUUCEWRRSA-N 0 1 281.359 2.728 20 30 CFEDMN N#CC(C(=O)c1cnc2c(F)cccc2c1)c1ccncn1 ZINC000429510361 383537624 /nfs/dbraw/zinc/53/76/24/383537624.db2.gz SGXZFCBMDTUSSN-GFCCVEGCSA-N 0 1 292.273 2.654 20 30 CFEDMN CCOc1ccc([N+](=O)[O-])cc1CNCC1(CC#N)CC1 ZINC000430022941 383584334 /nfs/dbraw/zinc/58/43/34/383584334.db2.gz PLSXZHKFMAOXRK-UHFFFAOYSA-N 0 1 289.335 2.777 20 30 CFEDMN CC(=O)Nc1ccc(C(=O)C(C#N)c2ccccn2)cc1F ZINC000570474693 383607644 /nfs/dbraw/zinc/60/76/44/383607644.db2.gz QWACDRKAFAGUFH-GFCCVEGCSA-N 0 1 297.289 2.669 20 30 CFEDMN N#CC(C(=O)c1cncs1)c1nc2ccccc2[nH]1 ZINC000429676730 383557584 /nfs/dbraw/zinc/55/75/84/383557584.db2.gz SDWKYEIOIAONHS-QMMMGPOBSA-N 0 1 268.301 2.509 20 30 CFEDMN N#C[C@@H](C(=O)c1cncs1)c1nc2ccccc2[nH]1 ZINC000429676730 383557586 /nfs/dbraw/zinc/55/75/86/383557586.db2.gz SDWKYEIOIAONHS-QMMMGPOBSA-N 0 1 268.301 2.509 20 30 CFEDMN C=CCCC[C@H](C)NC(=O)[C@H]1CCN1C1CCCC1 ZINC000635771037 383644041 /nfs/dbraw/zinc/64/40/41/383644041.db2.gz RLJYCCMTHZVFIT-DZGCQCFKSA-N 0 1 264.413 2.864 20 30 CFEDMN C[C@H]1O[C@@H](C)[C@@H](C)[C@@H]1NCc1cccc(F)c1C#N ZINC000528758168 383626613 /nfs/dbraw/zinc/62/66/13/383626613.db2.gz HEALZRJSEVMMQJ-RSQPEXBXSA-N 0 1 262.328 2.599 20 30 CFEDMN CCO[C@@H]1CCN(Cc2ccc(C#N)c(F)c2)C[C@H]1C ZINC000451526337 383635910 /nfs/dbraw/zinc/63/59/10/383635910.db2.gz GSKQSMOCVTZNRY-MLGOLLRUSA-N 0 1 276.355 2.944 20 30 CFEDMN FC(F)(F)Oc1ccc(C#CCSc2c[nH]nn2)cc1 ZINC000433374220 383761690 /nfs/dbraw/zinc/76/16/90/383761690.db2.gz IPJCXDUVSLSIJR-UHFFFAOYSA-N 0 1 299.277 2.847 20 30 CFEDMN C=C(CC)C[N@H+]1CCc2c(F)ccc(C(=O)[O-])c2C1 ZINC000530167863 383767698 /nfs/dbraw/zinc/76/76/98/383767698.db2.gz GRCLTBRBYFBGBW-UHFFFAOYSA-N 0 1 263.312 2.848 20 30 CFEDMN CCc1cncc(C(=O)C(C#N)c2ccccn2)c1 ZINC000434630473 383769361 /nfs/dbraw/zinc/76/93/61/383769361.db2.gz TVMJZCYVAFJCHK-CYBMUJFWSA-N 0 1 251.289 2.529 20 30 CFEDMN CO[C@@H]1CCC[C@H]1NCc1ccc(Cl)cc1C#N ZINC000451631237 383670920 /nfs/dbraw/zinc/67/09/20/383670920.db2.gz IEDJQTINYLXBPD-ZIAGYGMSSA-N 0 1 264.756 2.869 20 30 CFEDMN C=C(C)CCN1Cc2ccccc2C[C@H]1C(=O)NC1CC1 ZINC000645994745 383813461 /nfs/dbraw/zinc/81/34/61/383813461.db2.gz MRZMNXSNRRVYNE-KRWDZBQOSA-N 0 1 284.403 2.658 20 30 CFEDMN C#CCCCC(=O)NC[C@H](c1ccco1)N(CC)CC ZINC000191983513 533015747 /nfs/dbraw/zinc/01/57/47/533015747.db2.gz LLCYFPWJUBTEFL-CQSZACIVSA-N 0 1 276.380 2.582 20 30 CFEDMN C=CCC1(C(=O)N2C[C@@H](C)N(CC)[C@@H](C)C2)CCC1 ZINC000640607895 383841098 /nfs/dbraw/zinc/84/10/98/383841098.db2.gz CSLHJSAVOKHQLK-OKILXGFUSA-N 0 1 264.413 2.674 20 30 CFEDMN C=C(C)[C@H](CC(=O)N1CCN(C)[C@@H](C(C)(C)C)C1)OCC ZINC000640615032 383847584 /nfs/dbraw/zinc/84/75/84/383847584.db2.gz JIWAYHXYOJZRPQ-LSDHHAIUSA-N 0 1 296.455 2.546 20 30 CFEDMN CC[C@H](O)[C@@H]1CCCCN1Cc1cc(C#N)ccc1F ZINC000265163863 383848839 /nfs/dbraw/zinc/84/88/39/383848839.db2.gz CGJKRXHSFWQLIA-HOTGVXAUSA-N 0 1 276.355 2.823 20 30 CFEDMN C=CC[C@H](C)NC(=O)NC[C@H](c1ccsc1)N(C)C ZINC000265289117 383887329 /nfs/dbraw/zinc/88/73/29/383887329.db2.gz JZDGFMDWMLEXLY-WCQYABFASA-N 0 1 281.425 2.615 20 30 CFEDMN C[C@H](NC(=O)c1ccc(F)cc1O)c1ccc(C#N)cc1 ZINC000436759803 383890189 /nfs/dbraw/zinc/89/01/89/383890189.db2.gz GRVJECQJNSRDQX-JTQLQIEISA-N 0 1 284.290 2.894 20 30 CFEDMN N#Cc1ncc(C(F)(F)F)cc1NCCN1CC=CCC1 ZINC000573544779 383947121 /nfs/dbraw/zinc/94/71/21/383947121.db2.gz RZVOJROMXKCXQK-UHFFFAOYSA-N 0 1 296.296 2.646 20 30 CFEDMN C=CCCCCCNC(=O)N1CCN([C@@H](C)CC)CC1 ZINC000573576076 383956000 /nfs/dbraw/zinc/95/60/00/383956000.db2.gz LBXRCZNYJAIELU-HNNXBMFYSA-N 0 1 281.444 2.859 20 30 CFEDMN C=CCC(CC=C)C(=O)Nc1[nH]c(C)nc1C(=O)OCC ZINC000532343538 384014496 /nfs/dbraw/zinc/01/44/96/384014496.db2.gz KVNDGHQLBQJTTD-UHFFFAOYSA-N 0 1 291.351 2.602 20 30 CFEDMN CN(Cc1ccc(C#N)cc1[N+](=O)[O-])[C@H]1CC1(C)C ZINC000574043156 384033995 /nfs/dbraw/zinc/03/39/95/384033995.db2.gz JRDCXMAZPPGCBF-ZDUSSCGKSA-N 0 1 259.309 2.697 20 30 CFEDMN CC[C@](C)(O)CN(Cc1ccccc1)CC1(C#N)CC1 ZINC000439261828 384034028 /nfs/dbraw/zinc/03/40/28/384034028.db2.gz NUBFBTTWIHGECG-INIZCTEOSA-N 0 1 272.392 2.953 20 30 CFEDMN C=C(C)CCN1CCN(c2nc(F)c(F)cc2F)CC1 ZINC000277138573 384212075 /nfs/dbraw/zinc/21/20/75/384212075.db2.gz PBDAOXNXMOVNDZ-UHFFFAOYSA-N 0 1 285.313 2.587 20 30 CFEDMN C#CCCCC(=O)Nc1cc(F)cc(Cl)c1O ZINC000277309515 384262815 /nfs/dbraw/zinc/26/28/15/384262815.db2.gz KKGBHODHHNMPLN-UHFFFAOYSA-N 0 1 255.676 2.927 20 30 CFEDMN CC[C@H](C)c1nc([C@@H](C)Nc2cccc(C#N)n2)n[nH]1 ZINC000277460990 384308337 /nfs/dbraw/zinc/30/83/37/384308337.db2.gz QNDVFDZJORJFED-VHSXEESVSA-N 0 1 270.340 2.758 20 30 CFEDMN C[C@H](NCc1ccc(C#N)o1)[C@H](O)c1cccc(F)c1 ZINC000267193682 384320565 /nfs/dbraw/zinc/32/05/65/384320565.db2.gz MXNFBEVFUXIEJT-BONVTDFDSA-N 0 1 274.295 2.502 20 30 CFEDMN C=CCCCCCN(C)C(=O)c1oc(CN)cc1C ZINC000638008589 384351546 /nfs/dbraw/zinc/35/15/46/384351546.db2.gz VKSFCUHAGNKDSI-UHFFFAOYSA-N 0 1 264.369 2.865 20 30 CFEDMN Cc1ccccc1CN1CCN(c2ccc(C#N)nc2)CC1 ZINC000267413110 384383692 /nfs/dbraw/zinc/38/36/92/384383692.db2.gz RZKCZTFTMAJOAD-UHFFFAOYSA-N 0 1 292.386 2.584 20 30 CFEDMN C#C[C@H](NCc1cnc([C@@H]2CCCO2)s1)C(C)C ZINC000289399526 197327701 /nfs/dbraw/zinc/32/77/01/197327701.db2.gz ONIIPIJXHJBDMR-STQMWFEESA-N 0 1 264.394 2.742 20 30 CFEDMN CN(CCc1ccccc1[N+](=O)[O-])Cc1ccc(C#N)o1 ZINC000289345051 197305006 /nfs/dbraw/zinc/30/50/06/197305006.db2.gz IKDKEQVPWQCXSW-UHFFFAOYSA-N 0 1 285.303 2.734 20 30 CFEDMN C=CCOc1ccccc1C[N@@H+]1CC[C@H](C)[C@@H](C(=O)[O-])C1 ZINC000574810475 335049270 /nfs/dbraw/zinc/04/92/70/335049270.db2.gz HMWKBBZKMAHLOK-ZFWWWQNUSA-N 0 1 289.375 2.794 20 30 CFEDMN C=CCCCCCNC(=O)[C@@H](N)c1cccc(OC)c1 ZINC000638394859 384618469 /nfs/dbraw/zinc/61/84/69/384618469.db2.gz LIDFPIIIGBTENF-HNNXBMFYSA-N 0 1 276.380 2.558 20 30 CFEDMN Cc1nc2sccn2c1C[N@@H+](C)CCCSCC#N ZINC000268491406 384627110 /nfs/dbraw/zinc/62/71/10/384627110.db2.gz OTEXXPHZJNVSSN-UHFFFAOYSA-N 0 1 294.449 2.783 20 30 CFEDMN Cc1nc2sccn2c1CN(C)CCCSCC#N ZINC000268491406 384627114 /nfs/dbraw/zinc/62/71/14/384627114.db2.gz OTEXXPHZJNVSSN-UHFFFAOYSA-N 0 1 294.449 2.783 20 30 CFEDMN N#CCCCCN1CCOC[C@H]1C[C@@H](O)c1ccccc1 ZINC000268701518 384649965 /nfs/dbraw/zinc/64/99/65/384649965.db2.gz RJFJXXJEVRDILI-IAGOWNOFSA-N 0 1 288.391 2.505 20 30 CFEDMN CN(Cc1ccc(C#N)cc1F)[C@@H](CO)C(C)(C)C ZINC000269695044 384839109 /nfs/dbraw/zinc/83/91/09/384839109.db2.gz XGPIPHNDYZPDOG-AWEZNQCLSA-N 0 1 264.344 2.536 20 30 CFEDMN C[C@@H](C#N)CN(C)C(=O)c1cc(C2CCCCC2)[nH]n1 ZINC000270301055 385046135 /nfs/dbraw/zinc/04/61/35/385046135.db2.gz RXBZPFGGACCVMU-NSHDSACASA-N 0 1 274.368 2.689 20 30 CFEDMN C=C(C)[C@@H](CC(=O)Nc1ncc(C(F)(F)F)[nH]1)OCC ZINC000270465808 385113798 /nfs/dbraw/zinc/11/37/98/385113798.db2.gz RGYYQYRJMVXRKX-MRVPVSSYSA-N 0 1 291.273 2.738 20 30 CFEDMN CC#CCCCc1nc(-c2ccc3[nH]cnc3c2)no1 ZINC000289185606 197256943 /nfs/dbraw/zinc/25/69/43/197256943.db2.gz WFQCLCZKHBFXOF-UHFFFAOYSA-N 0 1 266.304 2.959 20 30 CFEDMN C=CCOCCN1C[C@H](C(F)(F)F)[C@H](C(F)(F)F)C1 ZINC000645089889 385181311 /nfs/dbraw/zinc/18/13/11/385181311.db2.gz WCCLKOASIVFXTH-DTORHVGOSA-N 0 1 291.235 2.862 20 30 CFEDMN CC(C)c1nc([C@H](C)NC(=O)Nc2ccc(C#N)cc2)n[nH]1 ZINC000270703780 385199162 /nfs/dbraw/zinc/19/91/62/385199162.db2.gz JEEDJPDMHQKVTK-JTQLQIEISA-N 0 1 298.350 2.682 20 30 CFEDMN C#CCCOc1ccc(CN[C@@H](C)c2n[nH]c(CC)n2)cc1 ZINC000270549997 385142864 /nfs/dbraw/zinc/14/28/64/385142864.db2.gz BBLQZDHGKLDNBI-ZDUSSCGKSA-N 0 1 298.390 2.620 20 30 CFEDMN C=C[C@H](CC(=O)N[C@H](C)c1n[nH]c(CC)n1)c1ccccc1 ZINC000270595416 385159492 /nfs/dbraw/zinc/15/94/92/385159492.db2.gz CEHMCPLKSSIODN-CHWSQXEVSA-N 0 1 298.390 2.904 20 30 CFEDMN CO[C@@H]1CCN(CC#Cc2ccc(F)cc2)[C@H](C)C1 ZINC000281691257 385201138 /nfs/dbraw/zinc/20/11/38/385201138.db2.gz NALSYKHAXPOLNM-CZUORRHYSA-N 0 1 261.340 2.677 20 30 CFEDMN CC(C)c1nc([C@@H](C)NCc2cccc(C#N)c2)n[nH]1 ZINC000270742378 385211952 /nfs/dbraw/zinc/21/19/52/385211952.db2.gz VNAGKADXCNRGRG-LLVKDONJSA-N 0 1 269.352 2.651 20 30 CFEDMN C=CCN1CC[C@H](N2CCC[C@@H]2c2ccc(F)cc2)C1=O ZINC000282101640 385212186 /nfs/dbraw/zinc/21/21/86/385212186.db2.gz WDHULNAEOFGIBI-CVEARBPZSA-N 0 1 288.366 2.750 20 30 CFEDMN C=CCN1CC[C@H](N(C)[C@H](C)c2ccccc2C)C1=O ZINC000282140605 385224477 /nfs/dbraw/zinc/22/44/77/385224477.db2.gz ZKOFWACZWPWSTQ-ZBFHGGJFSA-N 0 1 272.392 2.775 20 30 CFEDMN C=CCN1CC[C@H](N(C)[C@@H](C)c2ccccc2C)C1=O ZINC000282140597 385224938 /nfs/dbraw/zinc/22/49/38/385224938.db2.gz ZKOFWACZWPWSTQ-HOCLYGCPSA-N 0 1 272.392 2.775 20 30 CFEDMN CCC1(CO)CCN(Cc2ccc(C#N)cc2F)CC1 ZINC000270951183 385280070 /nfs/dbraw/zinc/28/00/70/385280070.db2.gz XLLPFDDZVNRJQJ-UHFFFAOYSA-N 0 1 276.355 2.682 20 30 CFEDMN C=C[C@@H]1OCCC[C@H]1[NH2+][C@H](c1nnc[n-]1)C1CCCCC1 ZINC000639233085 385362869 /nfs/dbraw/zinc/36/28/69/385362869.db2.gz VKMBPOVRBFPVCK-ILXRZTDVSA-N 0 1 290.411 2.749 20 30 CFEDMN CCc1nc([C@H](C)N[C@@H](C)c2ccc(C#N)cc2)n[nH]1 ZINC000271912368 385399096 /nfs/dbraw/zinc/39/90/96/385399096.db2.gz YEMRSTDOTISLGH-QWRGUYRKSA-N 0 1 269.352 2.651 20 30 CFEDMN C#CCCN1CCN(CCc2c(F)cccc2Cl)CC1 ZINC000272050339 385435634 /nfs/dbraw/zinc/43/56/34/385435634.db2.gz UGUCCADOTUFFDM-UHFFFAOYSA-N 0 1 294.801 2.663 20 30 CFEDMN CCCN(Cc1ccc(C#N)cc1)Cc1ccc(OC)nn1 ZINC000283559832 385476431 /nfs/dbraw/zinc/47/64/31/385476431.db2.gz NTMDIFSHJQCAJQ-UHFFFAOYSA-N 0 1 296.374 2.769 20 30 CFEDMN C=CCN(CCc1ccco1)CCn1c(C)csc1=O ZINC000272223658 385478562 /nfs/dbraw/zinc/47/85/62/385478562.db2.gz CNMYWSGDSXKDIZ-UHFFFAOYSA-N 0 1 292.404 2.542 20 30 CFEDMN C[C@H](NC1(c2cccc(C#N)c2)CC1)c1cn[nH]c1 ZINC000283884295 385510454 /nfs/dbraw/zinc/51/04/54/385510454.db2.gz FPURINYVWNCNNW-NSHDSACASA-N 0 1 252.321 2.621 20 30 CFEDMN C#CC(C)(C)N(C)Cc1ccc([N+](=O)[O-])c(OCC)c1 ZINC000286190785 385569608 /nfs/dbraw/zinc/56/96/08/385569608.db2.gz PRHGTMMUQACQSZ-UHFFFAOYSA-N 0 1 276.336 2.837 20 30 CFEDMN C=C(C)CN1CCc2c(ncn2-c2ccc(F)cc2)C1 ZINC000272685512 385588032 /nfs/dbraw/zinc/58/80/32/385588032.db2.gz CTTCVAVGMJKKFL-UHFFFAOYSA-N 0 1 271.339 2.946 20 30 CFEDMN C=C1C[C@H]2CC[C@@H](C1)N2CC(=O)N(CC)CC(F)(F)F ZINC000639863423 385737607 /nfs/dbraw/zinc/73/76/07/385737607.db2.gz JJPIVZJFJRCRSP-TXEJJXNPSA-N 0 1 290.329 2.580 20 30 CFEDMN C#CCN(Cc1cn(C)nc1-c1ccc(C#N)cc1)C1CC1 ZINC000274211274 385740243 /nfs/dbraw/zinc/74/02/43/385740243.db2.gz TVFKQRCUKHSILS-UHFFFAOYSA-N 0 1 290.370 2.556 20 30 CFEDMN C#CCN(Cc1ccc(Oc2cnccn2)cc1)C1CC1 ZINC000274121267 385722609 /nfs/dbraw/zinc/72/26/09/385722609.db2.gz MYGVSLHYGJTDKC-UHFFFAOYSA-N 0 1 279.343 2.867 20 30 CFEDMN C=CCCN(C)C(=O)[C@@H](c1ccccc1)[N@H+](C)CC ZINC000276140114 385983662 /nfs/dbraw/zinc/98/36/62/385983662.db2.gz NGKXYWMXXQSCBG-OAHLLOKOSA-N 0 1 260.381 2.714 20 30 CFEDMN C=CCCN(C)C(=O)[C@@H](c1ccccc1)N(C)CC ZINC000276140114 385983672 /nfs/dbraw/zinc/98/36/72/385983672.db2.gz NGKXYWMXXQSCBG-OAHLLOKOSA-N 0 1 260.381 2.714 20 30 CFEDMN C=CCOc1ccc(CN[C@@H](C)CF)cc1OC ZINC000288535621 197106155 /nfs/dbraw/zinc/10/61/55/197106155.db2.gz WFTPQLYYUIJIJI-NSHDSACASA-N 0 1 253.317 2.708 20 30 CFEDMN C=CCN1CC[C@@H](N(C)Cc2cccc(C(F)F)c2)C1=O ZINC000281215376 195152220 /nfs/dbraw/zinc/15/22/20/195152220.db2.gz DLZQAOGBLKPFTP-CQSZACIVSA-N 0 1 294.345 2.843 20 30 CFEDMN C=CCCCCNC(=O)c1c(C)n[nH]c1C(F)(F)F ZINC000681202355 542424261 /nfs/dbraw/zinc/42/42/61/542424261.db2.gz QGHKGMPPUSTQEY-UHFFFAOYSA-N 0 1 275.274 2.823 20 30 CFEDMN OC[C@@H]1CCCN1CC#Cc1ccc(C(F)(F)F)cc1 ZINC000267331218 285273895 /nfs/dbraw/zinc/27/38/95/285273895.db2.gz ADRBZKWVVBOABD-AWEZNQCLSA-N 0 1 283.293 2.514 20 30 CFEDMN CSCCCN(C)[C@H](C)C(=O)Nc1ccccc1C#N ZINC000281347587 195205600 /nfs/dbraw/zinc/20/56/00/195205600.db2.gz KJOLIXHVLMIDFY-GFCCVEGCSA-N 0 1 291.420 2.570 20 30 CFEDMN N#CCCCSc1n[nH]c(Cc2ccccc2)n1 ZINC000194589137 262239830 /nfs/dbraw/zinc/23/98/30/262239830.db2.gz WURGHMOROHOLPE-UHFFFAOYSA-N 0 1 258.350 2.791 20 30 CFEDMN N#Cc1nc(-c2cc3ccccc3[nH]2)cc2[nH]cnc21 ZINC001243102386 781987984 /nfs/dbraw/zinc/98/79/84/781987984.db2.gz UFORLLACRPZTDQ-UHFFFAOYSA-N 0 1 259.272 2.978 20 30 CFEDMN C=CC[C@@H](CC)NC(=O)c1[nH]nc2c1CCCCC2 ZINC000281619054 195310872 /nfs/dbraw/zinc/31/08/72/195310872.db2.gz FPVIOCUYJNMXLR-LLVKDONJSA-N 0 1 261.369 2.763 20 30 CFEDMN CO[C@@H]1CCN(Cc2cn3ccccc3c2C#N)[C@H](C)C1 ZINC000281743114 195361378 /nfs/dbraw/zinc/36/13/78/195361378.db2.gz QNVATCZRJQGPLD-UKRRQHHQSA-N 0 1 283.375 2.810 20 30 CFEDMN COc1ccc(C#N)cc1CN1CCSC(C)(C)C1 ZINC000156699389 533269032 /nfs/dbraw/zinc/26/90/32/533269032.db2.gz PLSLDANBSFUYDV-UHFFFAOYSA-N 0 1 276.405 2.894 20 30 CFEDMN C=C(C)CN(CC)CC(=O)N[C@@H](C)c1cccs1 ZINC000248226330 533504570 /nfs/dbraw/zinc/50/45/70/533504570.db2.gz JIGNNKAKXJIYDS-LBPRGKRZSA-N 0 1 266.410 2.823 20 30 CFEDMN CCC(CC)[C@@H](C)C(=O)N=c1[nH]n(C(C)(C)C)cc1C#N ZINC000341813062 130073938 /nfs/dbraw/zinc/07/39/38/130073938.db2.gz PRFWKMAJHPROOW-LLVKDONJSA-N 0 1 290.411 2.942 20 30 CFEDMN N#Cc1ccc(N2CCN(CCCCCF)CC2)c(F)c1 ZINC000341884975 130110356 /nfs/dbraw/zinc/11/03/56/130110356.db2.gz RUIFLXWLTWIFRL-UHFFFAOYSA-N 0 1 293.361 2.959 20 30 CFEDMN C#CCCCC(=O)NC[C@@H](c1ccco1)N1CCCCC1 ZINC000192053180 130358793 /nfs/dbraw/zinc/35/87/93/130358793.db2.gz KLBZWTWVPLQXCC-HNNXBMFYSA-N 0 1 288.391 2.726 20 30 CFEDMN CC[C@H](C)N1CCN(C(=O)Nc2ccc(C#N)cc2)CC1 ZINC000243077601 131081620 /nfs/dbraw/zinc/08/16/20/131081620.db2.gz IOUUWJLUDAMKMA-ZDUSSCGKSA-N 0 1 286.379 2.506 20 30 CFEDMN CC[C@@H](C[NH2+]Cc1ccc(C#N)cc1F)N1CCCC1 ZINC000269456828 132173591 /nfs/dbraw/zinc/17/35/91/132173591.db2.gz XCBZOWBSEVFDJQ-HNNXBMFYSA-N 0 1 275.371 2.661 20 30 CFEDMN CC1(C)C[N@@H+](CCCSCC#N)[C@@H]2CCC[C@H]2O1 ZINC000373868673 393476073 /nfs/dbraw/zinc/47/60/73/393476073.db2.gz RPZIPJNVEVDBCR-CHWSQXEVSA-N 0 1 268.426 2.665 20 30 CFEDMN CCC[N@H+]1CCC[C@H]1C(=O)Nc1nnc(C2CCC2)[n-]1 ZINC000329526683 393541593 /nfs/dbraw/zinc/54/15/93/393541593.db2.gz RPOWCIMQQJYHRZ-NSHDSACASA-N 0 1 277.372 2.535 20 30 CFEDMN C=C(C)CN(C)[C@H](C)C(=O)NC12CC3CC(CC(C3)C1)C2 ZINC000181298179 393493335 /nfs/dbraw/zinc/49/33/35/393493335.db2.gz JOYBYYDPWAIWQN-ZZFFKQLHSA-N 0 1 290.451 2.968 20 30 CFEDMN C=C(C)CN(C)CC(=O)N[C@@H](C)CCCC(C)C ZINC000181288612 393494138 /nfs/dbraw/zinc/49/41/38/393494138.db2.gz QPKFASJBBDYEKR-AWEZNQCLSA-N 0 1 254.418 2.825 20 30 CFEDMN C=C(Br)CN1CC[C@H](C2CCOCC2)C1 ZINC000374362590 393495291 /nfs/dbraw/zinc/49/52/91/393495291.db2.gz RHAFBAQTMCYFGW-LBPRGKRZSA-N 0 1 274.202 2.644 20 30 CFEDMN C#CCCCCC(=O)N1CCC[C@@H](c2cc(C)[nH]n2)C1 ZINC000374507255 393497974 /nfs/dbraw/zinc/49/79/74/393497974.db2.gz OWGNHGFOIUEHGZ-CQSZACIVSA-N 0 1 273.380 2.618 20 30 CFEDMN C#CCCCCC(=O)N1CCC[C@H](c2cc(C)[nH]n2)C1 ZINC000374507254 393498640 /nfs/dbraw/zinc/49/86/40/393498640.db2.gz OWGNHGFOIUEHGZ-AWEZNQCLSA-N 0 1 273.380 2.618 20 30 CFEDMN CC#CCN1CCC[C@H](n2ccc(C(F)(F)F)n2)C1 ZINC000182851603 393515031 /nfs/dbraw/zinc/51/50/31/393515031.db2.gz XHWABRNJZMJOOA-NSHDSACASA-N 0 1 271.286 2.562 20 30 CFEDMN C[C@@H]1CN(CCC2(C#N)CCCCC2)C[C@H](C)O1 ZINC000313775554 393524499 /nfs/dbraw/zinc/52/44/99/393524499.db2.gz FCCGISCHQZAATC-OKILXGFUSA-N 0 1 250.386 2.960 20 30 CFEDMN CC[C@H](C)NC(=O)[C@H](C)N[C@@H](C)c1ccc(C#N)cc1 ZINC000037502348 393532306 /nfs/dbraw/zinc/53/23/06/393532306.db2.gz SROXDDUVATXCJB-AVGNSLFASA-N 0 1 273.380 2.512 20 30 CFEDMN COc1ccc(CNCc2cccc(C#N)c2)cc1O ZINC000037748512 393534205 /nfs/dbraw/zinc/53/42/05/393534205.db2.gz JCXYQEQNRBFNKK-UHFFFAOYSA-N 0 1 268.316 2.562 20 30 CFEDMN O=C(CN1CCC[C@H]1C1CCOCC1)Nc1nccs1 ZINC000329497739 393538945 /nfs/dbraw/zinc/53/89/45/393538945.db2.gz XRKVDCXUECOROO-LBPRGKRZSA-N 0 1 295.408 2.622 20 30 CFEDMN CC[C@H](N[C@@H]1CC[C@H](C#N)C1)c1nnc2n1CCCCC2 ZINC000333102549 393564361 /nfs/dbraw/zinc/56/43/61/393564361.db2.gz QCZWENTZGSJJHZ-MJBXVCDLSA-N 0 1 287.411 2.737 20 30 CFEDMN C[C@H](c1cccc(C#N)c1)N1CCCN(CC(F)F)CC1 ZINC000189981878 393577813 /nfs/dbraw/zinc/57/78/13/393577813.db2.gz OSIRIONARONQSL-CYBMUJFWSA-N 0 1 293.361 2.892 20 30 CFEDMN CN(CCC(=O)Nc1ccccc1C#N)Cc1ccoc1 ZINC000048910298 393609230 /nfs/dbraw/zinc/60/92/30/393609230.db2.gz KKZWJQPQYKVJPH-UHFFFAOYSA-N 0 1 283.331 2.612 20 30 CFEDMN C=CCCCN[C@@H](C)c1ncc(Br)cn1 ZINC000336648994 393744847 /nfs/dbraw/zinc/74/48/47/393744847.db2.gz CQVVVHKEKVQTAH-VIFPVBQESA-N 0 1 270.174 2.856 20 30 CFEDMN CC(C)N(CCC1(C#N)CCCCC1)C1COC1 ZINC000411775565 393747175 /nfs/dbraw/zinc/74/71/75/393747175.db2.gz YDSODBKGGJTCJW-UHFFFAOYSA-N 0 1 250.386 2.960 20 30 CFEDMN N#CCCN[C@@H]1CN(CC(F)(F)F)C[C@H]1c1ccccc1 ZINC000411812757 393750691 /nfs/dbraw/zinc/75/06/91/393750691.db2.gz ZSPPIJYYRCZBBV-UONOGXRCSA-N 0 1 297.324 2.520 20 30 CFEDMN C=C(C)C[N@H+](C)Cc1cc(OC)c(OC)cc1OC ZINC000194969901 393726123 /nfs/dbraw/zinc/72/61/23/393726123.db2.gz RXHRGTCOFKREHV-UHFFFAOYSA-N 0 1 265.353 2.720 20 30 CFEDMN C=C(C)CN(C)Cc1cc(OC)c(OC)cc1OC ZINC000194969901 393726124 /nfs/dbraw/zinc/72/61/24/393726124.db2.gz RXHRGTCOFKREHV-UHFFFAOYSA-N 0 1 265.353 2.720 20 30 CFEDMN C=CCCN[C@@H](C)c1nc(C)c(C(=O)OCC)s1 ZINC000338572049 393792315 /nfs/dbraw/zinc/79/23/15/393792315.db2.gz RHAZPLKLEDAGEU-JTQLQIEISA-N 0 1 268.382 2.855 20 30 CFEDMN C[C@@H]1OCCN(Cc2ccc(N(C)CCC#N)cc2)[C@H]1C ZINC000093418403 393799306 /nfs/dbraw/zinc/79/93/06/393799306.db2.gz PSFXBOCPLBVBIP-GJZGRUSLSA-N 0 1 287.407 2.646 20 30 CFEDMN C[C@@H]1SCCN(Cc2cc(C#N)cs2)[C@H]1C ZINC000093501570 393800450 /nfs/dbraw/zinc/80/04/50/393800450.db2.gz KJZUAMCYWCKJSI-UWVGGRQHSA-N 0 1 252.408 2.946 20 30 CFEDMN C=C(C)Cn1c(C(C)C)nnc1N1CCN(C(C)C)CC1 ZINC000338841571 393801912 /nfs/dbraw/zinc/80/19/12/393801912.db2.gz JZLGRXNSXDRISQ-UHFFFAOYSA-N 0 1 291.443 2.508 20 30 CFEDMN CCO[C@@H]1C[C@H](N(C)Cc2ccc(C#N)o2)C1(C)C ZINC000093605217 393802760 /nfs/dbraw/zinc/80/27/60/393802760.db2.gz ILDMTDZFOZKQBI-UONOGXRCSA-N 0 1 262.353 2.787 20 30 CFEDMN C=CCOCCN(C)Cc1cnn(-c2ccccc2)c1 ZINC000338893367 393803811 /nfs/dbraw/zinc/80/38/11/393803811.db2.gz UCYIEQODTSLSKR-UHFFFAOYSA-N 0 1 271.364 2.507 20 30 CFEDMN COc1ccc2c(c1OC)CCN([C@@H]1CC[C@@H](C#N)C1)C2 ZINC000339056432 393813957 /nfs/dbraw/zinc/81/39/57/393813957.db2.gz LHDRNPCSUKYMDT-TZMCWYRMSA-N 0 1 286.375 2.754 20 30 CFEDMN N#Cc1ccc(Cc2nc(C3(N)CCCCC3)no2)cc1 ZINC000424351190 393838632 /nfs/dbraw/zinc/83/86/32/393838632.db2.gz YJRCWJLNNFJQGX-UHFFFAOYSA-N 0 1 282.347 2.650 20 30 CFEDMN COc1ccc(CCCN(C)CC2(C#N)CC2)cc1 ZINC000343144385 393880274 /nfs/dbraw/zinc/88/02/74/393880274.db2.gz ZLBPSPZZTNDWRL-UHFFFAOYSA-N 0 1 258.365 2.863 20 30 CFEDMN CCC1(CC)[C@H](OC)C[C@H]1N(C)CC1(C#N)CC1 ZINC000343308295 393882832 /nfs/dbraw/zinc/88/28/32/393882832.db2.gz ZGYPUGMNPIVGKN-CHWSQXEVSA-N 0 1 250.386 2.816 20 30 CFEDMN CCC1(CC)[C@@H](OC)C[C@@H]1N(C)CC1(C#N)CC1 ZINC000343308299 393883089 /nfs/dbraw/zinc/88/30/89/393883089.db2.gz ZGYPUGMNPIVGKN-STQMWFEESA-N 0 1 250.386 2.816 20 30 CFEDMN C=CCC[C@H](C(=O)NCCN1CCC1)c1ccccc1 ZINC000427621385 393894367 /nfs/dbraw/zinc/89/43/67/393894367.db2.gz CBJAJEFRZCMVEW-INIZCTEOSA-N 0 1 272.392 2.558 20 30 CFEDMN C=CCOc1cccc(CN2CCC(O)(C(F)F)CC2)c1 ZINC000428455907 393897271 /nfs/dbraw/zinc/89/72/71/393897271.db2.gz DIGOZAYOKOJJIA-UHFFFAOYSA-N 0 1 297.345 2.843 20 30 CFEDMN Cc1cccc2nc([C@H](C#N)C(=O)c3cncc(F)c3)[nH]c21 ZINC000346231061 393923903 /nfs/dbraw/zinc/92/39/03/393923903.db2.gz WYWOXWAUKJUISX-GFCCVEGCSA-N 0 1 294.289 2.896 20 30 CFEDMN C[C@H](CO)N(Cc1cccc(F)c1C#N)CC1CCC1 ZINC000428956278 393926914 /nfs/dbraw/zinc/92/69/14/393926914.db2.gz NEFXCNPHGYWKCL-GFCCVEGCSA-N 0 1 276.355 2.680 20 30 CFEDMN COc1cc2c(cc1F)CN(CCCCC#N)CC2 ZINC000348801415 393958875 /nfs/dbraw/zinc/95/88/75/393958875.db2.gz VHNUJVUNSWXOPI-UHFFFAOYSA-N 0 1 262.328 2.886 20 30 CFEDMN Cc1noc([C@@H]2CCCN2CC(C)(C)CCC#N)n1 ZINC000348817806 393959389 /nfs/dbraw/zinc/95/93/89/393959389.db2.gz PUUXJGRQWBQYNE-LBPRGKRZSA-N 0 1 262.357 2.845 20 30 CFEDMN Cc1ccc(C=Cc2n[nH]c(SCCC#N)n2)o1 ZINC000349259933 393965835 /nfs/dbraw/zinc/96/58/35/393965835.db2.gz ZXDHBVXLDKLJRE-WAYWQWQTSA-N 0 1 260.322 2.882 20 30 CFEDMN N#Cc1ccc2nc(-c3ccc([O-])c([N+](=O)[O-])c3)[nH]c2c1 ZINC000123215387 393977832 /nfs/dbraw/zinc/97/78/32/393977832.db2.gz XVPDSFPMNBZEKW-UHFFFAOYSA-N 0 1 280.243 2.715 20 30 CFEDMN C=CCC[C@@H](CC)N[C@@H]1CS(=O)(=O)c2ccccc21 ZINC000269069136 394001047 /nfs/dbraw/zinc/00/10/47/394001047.db2.gz MISGLBIUKNTIQP-TZMCWYRMSA-N 0 1 279.405 2.849 20 30 CFEDMN C#C[C@@H](C)N(C)C(=O)c1cc(-c2ccccc2Cl)[nH]n1 ZINC000491255793 394047414 /nfs/dbraw/zinc/04/74/14/394047414.db2.gz YAMULOXMIUAJAP-SNVBAGLBSA-N 0 1 287.750 2.824 20 30 CFEDMN C#CCN(CCc1cncs1)Cc1ccccc1 ZINC000491617862 394054286 /nfs/dbraw/zinc/05/42/86/394054286.db2.gz CZFRNMBEVASCKA-UHFFFAOYSA-N 0 1 256.374 2.821 20 30 CFEDMN CCN(Cc1cnn(C)c1)Cc1ccc(C#N)c(C)c1 ZINC000487908305 394029256 /nfs/dbraw/zinc/02/92/56/394029256.db2.gz FOXGABQQHIHANG-UHFFFAOYSA-N 0 1 268.364 2.622 20 30 CFEDMN Cc1cc(CN(C)[C@H](C)c2cnn(C)c2)ccc1C#N ZINC000488271011 394036231 /nfs/dbraw/zinc/03/62/31/394036231.db2.gz ZEQIWLNKMDZYFH-CYBMUJFWSA-N 0 1 268.364 2.793 20 30 CFEDMN CCOC(=O)C[C@@H](C)N(C)Cc1ccc(C#N)cc1Cl ZINC000439433003 394115201 /nfs/dbraw/zinc/11/52/01/394115201.db2.gz XQEDXWPEYUDYNX-LLVKDONJSA-N 0 1 294.782 2.985 20 30 CFEDMN C=CCCCC(=O)NC[C@H](c1ccsc1)N(C)C ZINC000359051983 394122111 /nfs/dbraw/zinc/12/21/11/394122111.db2.gz DNBURVUZERTNGW-CYBMUJFWSA-N 0 1 266.410 2.823 20 30 CFEDMN C=CCN(CCC#N)C(=O)[C@@H]1CCCN1Cc1ccccc1 ZINC000359392739 394132064 /nfs/dbraw/zinc/13/20/64/394132064.db2.gz VAUXSKGQVKEPSN-KRWDZBQOSA-N 0 1 297.402 2.579 20 30 CFEDMN C=C(Br)CN[C@H]1CCN(C)[C@@H]1c1ccccc1 ZINC000284236845 394135068 /nfs/dbraw/zinc/13/50/68/394135068.db2.gz KPYGWWLCPRVSAZ-UONOGXRCSA-N 0 1 295.224 2.930 20 30 CFEDMN CC(C)(CCC#N)CNC(=O)c1ccc(-c2nnc[nH]2)cc1 ZINC000360412289 394150858 /nfs/dbraw/zinc/15/08/58/394150858.db2.gz SFXAOCHNZCREOQ-UHFFFAOYSA-N 0 1 297.362 2.531 20 30 CFEDMN Cc1n[nH]c(C(C)C)c1C(=O)NCC(C)(C)CCC#N ZINC000360421863 394151098 /nfs/dbraw/zinc/15/10/98/394151098.db2.gz FHGSFEQEUGLCMS-UHFFFAOYSA-N 0 1 276.384 2.901 20 30 CFEDMN CC(C)(CCC#N)CNC(=O)c1cccc2nc[nH]c21 ZINC000360425687 394151970 /nfs/dbraw/zinc/15/19/70/394151970.db2.gz PNVHGPMWHAONOZ-UHFFFAOYSA-N 0 1 270.336 2.623 20 30 CFEDMN C=CCS(=O)(=O)CCN[C@@H](CCC(C)C)c1ccoc1 ZINC000285922206 394166044 /nfs/dbraw/zinc/16/60/44/394166044.db2.gz CKQLYAGGCYZWEC-HNNXBMFYSA-N 0 1 299.436 2.947 20 30 CFEDMN CC(C)[C@@H]1CCN([C@@H](C)C(=O)Nc2ccccc2C#N)C1 ZINC000134980184 394207238 /nfs/dbraw/zinc/20/72/38/394207238.db2.gz HYXMBPGFBRSAFU-DZGCQCFKSA-N 0 1 285.391 2.863 20 30 CFEDMN Cc1cccc(S(=O)(=O)Nc2ccccc2)c1C#N ZINC000137184507 394237762 /nfs/dbraw/zinc/23/77/62/394237762.db2.gz GWYPKFDIQJRFTF-UHFFFAOYSA-N 0 1 272.329 2.668 20 30 CFEDMN C=CCC[C@@H](NC[C@@H](O)C(F)(F)F)c1ccco1 ZINC000286055301 394185729 /nfs/dbraw/zinc/18/57/29/394185729.db2.gz LENBPXHHAYQRPS-MWLCHTKSSA-N 0 1 263.259 2.800 20 30 CFEDMN CC[C@H]1CN(CC)CCN1C(=O)/C=C/c1ccc(C#N)cc1 ZINC000493533611 394271810 /nfs/dbraw/zinc/27/18/10/394271810.db2.gz XGYLGMZONJQRAH-FVNWOWOISA-N 0 1 297.402 2.514 20 30 CFEDMN CC#CCCN1CCC[C@@H]1C(=O)Nc1ccc(OC)cc1 ZINC000156536727 394335076 /nfs/dbraw/zinc/33/50/76/394335076.db2.gz BKNCOKJMTMCHRO-MRXNPFEDSA-N 0 1 286.375 2.512 20 30 CFEDMN Cc1nsc(N2CCN([C@H](C)CC(C)C)CC2)c1C#N ZINC000451044829 394350257 /nfs/dbraw/zinc/35/02/57/394350257.db2.gz KYKLHHSDJAPMHU-GFCCVEGCSA-N 0 1 292.452 2.880 20 30 CFEDMN C=CC[C@H](CC)NC(=O)Nc1cnn(-c2ccncc2)c1 ZINC000685010359 542887072 /nfs/dbraw/zinc/88/70/72/542887072.db2.gz DLCPYGAZCDEPRO-LBPRGKRZSA-N 0 1 285.351 2.744 20 30 CFEDMN C[C@@](O)(CN[C@@H](CCC#N)c1ccccc1)C(F)(F)F ZINC000564723174 395081705 /nfs/dbraw/zinc/08/17/05/395081705.db2.gz HHKRPGIDLRAPGR-QWHCGFSZSA-N 0 1 286.297 2.934 20 30 CFEDMN CCOC1CCN(CC#Cc2ccc(F)cc2)CC1 ZINC000178921225 543003888 /nfs/dbraw/zinc/00/38/88/543003888.db2.gz SNUNQUUVFPFIHM-UHFFFAOYSA-N 0 1 261.340 2.678 20 30 CFEDMN C=CCOc1ccccc1-c1nc([C@H]2CCCN2)no1 ZINC000647152553 395183989 /nfs/dbraw/zinc/18/39/89/395183989.db2.gz IJJUYFIUOZBEGL-GFCCVEGCSA-N 0 1 271.320 2.726 20 30 CFEDMN C=CCNC(=O)CNC1(c2ccc(C(F)(F)F)cc2)CC1 ZINC000649886354 395584905 /nfs/dbraw/zinc/58/49/05/395584905.db2.gz YFTINKAQMCJOCN-UHFFFAOYSA-N 0 1 298.308 2.586 20 30 CFEDMN C=CCN(Cc1ccc(OC)cc1)C(=O)CCc1cnc[nH]1 ZINC000189276055 543068054 /nfs/dbraw/zinc/06/80/54/543068054.db2.gz MKMUGYZXLUZWEM-UHFFFAOYSA-N 0 1 299.374 2.566 20 30 CFEDMN N#CCCN(CCC(=O)Nc1cccc(C#N)c1)CC1CC1 ZINC000081514895 397591325 /nfs/dbraw/zinc/59/13/25/397591325.db2.gz QAVDOGBHVYHLAH-UHFFFAOYSA-N 0 1 296.374 2.513 20 30 CFEDMN C=C(C)CN(C)[C@@H](C)C(=O)NC[C@H](C)c1ccccc1 ZINC000181276883 397609522 /nfs/dbraw/zinc/60/95/22/397609522.db2.gz SEBBDKLVHWSLDM-GJZGRUSLSA-N 0 1 274.408 2.803 20 30 CFEDMN N#Cc1ccc(CN2CCC[C@H](CO)C2)c(C(F)(F)F)c1 ZINC000356053768 155150334 /nfs/dbraw/zinc/15/03/34/155150334.db2.gz AZQZSSAZXHJNLE-LBPRGKRZSA-N 0 1 298.308 2.781 20 30 CFEDMN C[C@@H](O)[C@@H]1CCN(Cc2ccc(C#N)cc2C(F)(F)F)C1 ZINC000356436372 155265520 /nfs/dbraw/zinc/26/55/20/155265520.db2.gz YHFTVZMVDQJRRY-ZYHUDNBSSA-N 0 1 298.308 2.780 20 30 CFEDMN N#Cc1ccc(CNC[C@H]2COc3ccccc3O2)c(F)c1 ZINC000343069900 154104977 /nfs/dbraw/zinc/10/49/77/154104977.db2.gz FUSGLMWNTAABQY-AWEZNQCLSA-N 0 1 298.317 2.627 20 30 CFEDMN Cc1c([C@H]2CCCN2Cc2ccc(C#N)cc2)cnn1C ZINC000367249117 156302614 /nfs/dbraw/zinc/30/26/14/156302614.db2.gz SGUBYEPSWOCQQI-QGZVFWFLSA-N 0 1 280.375 2.937 20 30 CFEDMN N#Cc1ccccc1CN1CCC([C@H]2CCOC2)CC1 ZINC000374596163 157136480 /nfs/dbraw/zinc/13/64/80/157136480.db2.gz PZOFJKIPOIRDRG-KRWDZBQOSA-N 0 1 270.376 2.807 20 30 CFEDMN CO[C@H]1CCCN(Cc2ccc(F)cc2C#N)CC1 ZINC000374681772 157148160 /nfs/dbraw/zinc/14/81/60/157148160.db2.gz WUZAUCQGIYSPTC-HNNXBMFYSA-N 0 1 262.328 2.698 20 30 CFEDMN N#Cc1ccccc1CN1CC[C@@](O)(c2ccc(F)cc2)C1 ZINC000375041405 157188335 /nfs/dbraw/zinc/18/83/35/157188335.db2.gz QBYYEARVDVWYCC-SFHVURJKSA-N 0 1 296.345 2.791 20 30 CFEDMN C=CCCn1cc(CN(CC)C[C@@H](C)CC)nn1 ZINC000653564551 413375814 /nfs/dbraw/zinc/37/58/14/413375814.db2.gz BOZRJXICEVQLQG-ZDUSSCGKSA-N 0 1 250.390 2.722 20 30 CFEDMN C=CCCn1cc(CN2C[C@H](C)C[C@@H](C)[C@@H]2C)nn1 ZINC000653637300 413419643 /nfs/dbraw/zinc/41/96/43/413419643.db2.gz AQKBEALHANMNQE-MCIONIFRSA-N 0 1 262.401 2.721 20 30 CFEDMN N#Cc1cccc(CNc2cnccc2-n2cccn2)c1 ZINC000345151860 162186663 /nfs/dbraw/zinc/18/66/63/162186663.db2.gz ZZNDNUJKLJGIFU-UHFFFAOYSA-N 0 1 275.315 2.751 20 30 CFEDMN CCN1C[C@@H](C)N(C(=O)Nc2cccc(C#N)c2)C[C@@H]1C ZINC000345873990 162269083 /nfs/dbraw/zinc/26/90/83/162269083.db2.gz KNOAWDLQRMSFNE-QWHCGFSZSA-N 0 1 286.379 2.505 20 30 CFEDMN Cc1c(CN[C@H](C)c2ccc(C#N)c(F)c2)cnn1C ZINC000346146506 162331999 /nfs/dbraw/zinc/33/19/99/162331999.db2.gz BTOTZZGITZCIMM-SNVBAGLBSA-N 0 1 272.327 2.590 20 30 CFEDMN CC(C)Oc1ccc(C#N)cc1NC(=O)c1cncc(O)c1 ZINC000346223246 162356738 /nfs/dbraw/zinc/35/67/38/162356738.db2.gz QJOISRZORSMJSF-UHFFFAOYSA-N 0 1 297.314 2.698 20 30 CFEDMN CN(CCc1ccccc1O)Cc1ccc(C#N)o1 ZINC000346363933 162394298 /nfs/dbraw/zinc/39/42/98/162394298.db2.gz DOJWWPGFTCJETB-UHFFFAOYSA-N 0 1 256.305 2.531 20 30 CFEDMN COc1cc([C@@H](C)NCc2ccc(F)c(C#N)c2)ccn1 ZINC000347671775 162754859 /nfs/dbraw/zinc/75/48/59/162754859.db2.gz JSFZXTUAZZSJMA-LLVKDONJSA-N 0 1 285.322 2.952 20 30 CFEDMN CCOC[C@@H](NCc1ccc(F)cc1C#N)C(C)C ZINC000348482027 162857888 /nfs/dbraw/zinc/85/78/88/162857888.db2.gz VRISBBATRAAVGM-OAHLLOKOSA-N 0 1 264.344 2.848 20 30 CFEDMN N#Cc1csc(CN[C@H]2C[C@@H]2Cc2ccccc2)n1 ZINC000352809045 163238672 /nfs/dbraw/zinc/23/86/72/163238672.db2.gz FOZGYKDIDRALFM-JSGCOSHPSA-N 0 1 269.373 2.736 20 30 CFEDMN COc1cc(CCNCc2nc(C#N)cs2)ccc1C ZINC000352801013 163239135 /nfs/dbraw/zinc/23/91/35/163239135.db2.gz QWWCGIGDXVMPBP-UHFFFAOYSA-N 0 1 287.388 2.664 20 30 CFEDMN N#Cc1csc(CN[C@@H]2C[C@@H]2Cc2ccccc2)n1 ZINC000352809044 163239227 /nfs/dbraw/zinc/23/92/27/163239227.db2.gz FOZGYKDIDRALFM-GXTWGEPZSA-N 0 1 269.373 2.736 20 30 CFEDMN CCC(CC)[C@@H](CCNCc1nc(C#N)cs1)OC ZINC000352829334 163244636 /nfs/dbraw/zinc/24/46/36/163244636.db2.gz ARPFCAOEOIVCIN-CYBMUJFWSA-N 0 1 281.425 2.946 20 30 CFEDMN CN1CC[C@@H](NCc2nc(C#N)cs2)[C@H]1c1ccccc1 ZINC000352850985 163251511 /nfs/dbraw/zinc/25/15/11/163251511.db2.gz YTAOTWHJSQJZPP-GDBMZVCRSA-N 0 1 298.415 2.550 20 30 CFEDMN N#Cc1csc(CNCCCc2cccc(F)c2)n1 ZINC000352857651 163252464 /nfs/dbraw/zinc/25/24/64/163252464.db2.gz YXWKRSFPSWGGCJ-UHFFFAOYSA-N 0 1 275.352 2.876 20 30 CFEDMN CN1CC[C@@H](NCc2nc(C#N)cs2)[C@@H]1c1ccccc1 ZINC000352850988 163253597 /nfs/dbraw/zinc/25/35/97/163253597.db2.gz YTAOTWHJSQJZPP-ZBFHGGJFSA-N 0 1 298.415 2.550 20 30 CFEDMN Cc1cc(CCNCc2nc(C#N)cs2)cc(C)c1O ZINC000352863860 163256023 /nfs/dbraw/zinc/25/60/23/163256023.db2.gz XGTCGJWLKMZNCS-UHFFFAOYSA-N 0 1 287.388 2.670 20 30 CFEDMN Cc1csc([C@H](C)CNCc2nc(C#N)cs2)n1 ZINC000352934670 163274354 /nfs/dbraw/zinc/27/43/54/163274354.db2.gz IFZAKEAQOGYPQF-MRVPVSSYSA-N 0 1 278.406 2.673 20 30 CFEDMN COc1cc(CNCc2cnn(C(C)(C)C)c2)ccc1C#N ZINC000353257949 163331819 /nfs/dbraw/zinc/33/18/19/163331819.db2.gz YYQWMADOTMRBJW-UHFFFAOYSA-N 0 1 298.390 2.808 20 30 CFEDMN CC(C)(C)C(=O)N[C@H]1CCCN(Cc2ccc(C#N)cc2)C1 ZINC000353436751 163365903 /nfs/dbraw/zinc/36/59/03/163365903.db2.gz QIFFPXSYMRNSRA-INIZCTEOSA-N 0 1 299.418 2.685 20 30 CFEDMN N#Cc1ccsc1NC(=O)c1cc(-c2ccccn2)no1 ZINC000353532340 163387172 /nfs/dbraw/zinc/38/71/72/163387172.db2.gz GVNDBMUHCDHBRA-UHFFFAOYSA-N 0 1 296.311 2.922 20 30 CFEDMN N#Cc1cccc(NC(=O)CN2CCCCCCC2)c1 ZINC000007486794 170287276 /nfs/dbraw/zinc/28/72/76/170287276.db2.gz JIJKDOVCBUJGDF-UHFFFAOYSA-N 0 1 271.364 2.763 20 30 CFEDMN C[C@@H](C(=O)Nc1ccc(C#N)c(Cl)c1)N1CCCC1 ZINC000008142329 170321287 /nfs/dbraw/zinc/32/12/87/170321287.db2.gz AJJVSPZDANWSCY-JTQLQIEISA-N 0 1 277.755 2.634 20 30 CFEDMN C=CCn1c([C@@]2(C)CCCO2)n[n-]c1=[NH+]c1ccccc1C ZINC000651513526 413507496 /nfs/dbraw/zinc/50/74/96/413507496.db2.gz TZDVJMLRGGTWRO-QGZVFWFLSA-N 0 1 298.390 2.964 20 30 CFEDMN C=CCCn1cc(CN[C@@H]2C[C@H]2Cc2ccccc2)nn1 ZINC000657375531 413516558 /nfs/dbraw/zinc/51/65/58/413516558.db2.gz HURUPRAIVWBENF-NVXWUHKLSA-N 0 1 282.391 2.575 20 30 CFEDMN C=CCCn1cc(CN[C@H]2C[C@@H]2C2CCCCC2)nn1 ZINC000657380412 413527598 /nfs/dbraw/zinc/52/75/98/413527598.db2.gz JJQKRYHWYLTNFI-CVEARBPZSA-N 0 1 274.412 2.913 20 30 CFEDMN C=CCCCN(C)[C@H](c1nnc[nH]1)c1ccccc1 ZINC000660759964 413543007 /nfs/dbraw/zinc/54/30/07/413543007.db2.gz CVZROLSLPHCTCB-AWEZNQCLSA-N 0 1 256.353 2.792 20 30 CFEDMN CN(CCOc1ccccc1C#N)Cc1ccco1 ZINC000035701932 172368899 /nfs/dbraw/zinc/36/88/99/172368899.db2.gz DIHXRTWDNPOTKV-UHFFFAOYSA-N 0 1 256.305 2.662 20 30 CFEDMN C=CCCn1cc(CNC[C@H]2CCCCC2(F)F)nn1 ZINC000657476608 413655882 /nfs/dbraw/zinc/65/58/82/413655882.db2.gz AWQKZHZEFIYAOE-GFCCVEGCSA-N 0 1 284.354 2.769 20 30 CFEDMN C=CC[C@H]1CCCN(C(=O)N[C@@H](C)Cc2cc(C)[nH]n2)C1 ZINC000660929565 413666948 /nfs/dbraw/zinc/66/69/48/413666948.db2.gz GQDHWCLUFCDPAP-JSGCOSHPSA-N 0 1 290.411 2.647 20 30 CFEDMN C=CCOc1ccc(CNCc2ccc(CO)o2)cc1 ZINC000285455588 196289871 /nfs/dbraw/zinc/28/98/71/196289871.db2.gz GPSBVZKHVJKTJQ-UHFFFAOYSA-N 0 1 273.332 2.627 20 30 CFEDMN C=CC[C@H]1CCCN([C@@H](C(N)=O)c2ccc(F)cc2)C1 ZINC000661381591 413943107 /nfs/dbraw/zinc/94/31/07/413943107.db2.gz MWCSIZFEOJZXTJ-SWLSCSKDSA-N 0 1 276.355 2.640 20 30 CFEDMN C=CC(C)(C)CNC(=O)Nc1cnn(-c2ccncc2)c1 ZINC000652617045 414033660 /nfs/dbraw/zinc/03/36/60/414033660.db2.gz NPKUPCMETWJIND-UHFFFAOYSA-N 0 1 285.351 2.601 20 30 CFEDMN C=C(C)[C@H](N[C@H](C)Cn1cncn1)c1ccc(F)c(F)c1 ZINC000657981953 414085729 /nfs/dbraw/zinc/08/57/29/414085729.db2.gz JGJDSJJBHNCOGN-ABAIWWIYSA-N 0 1 292.333 2.852 20 30 CFEDMN C=C(C)CCN1C[C@@H](CC(F)(F)F)O[C@@H](C)C1 ZINC000662232727 414465290 /nfs/dbraw/zinc/46/52/90/414465290.db2.gz BSSKWBCETGYEDM-WDEREUQCSA-N 0 1 251.292 2.994 20 30 CFEDMN C=CCCCN1C[C@@H](C)O[C@H](CC(F)(F)F)C1 ZINC000662242804 414472035 /nfs/dbraw/zinc/47/20/35/414472035.db2.gz PLUYAXUUWVOGKH-GHMZBOCLSA-N 0 1 251.292 2.994 20 30 CFEDMN N#CCCN(C[C@@H](O)Cc1cccc(Cl)c1)CC1CC1 ZINC000347041750 226025250 /nfs/dbraw/zinc/02/52/50/226025250.db2.gz BKPZHKDKUWEUSR-INIZCTEOSA-N 0 1 292.810 2.869 20 30 CFEDMN N#CC(C(=O)c1ccc2ccccc2n1)c1ccncn1 ZINC000354465864 227003993 /nfs/dbraw/zinc/00/39/93/227003993.db2.gz IODVQIAPYAKSBK-LBPRGKRZSA-N 0 1 274.283 2.515 20 30 CFEDMN N#C[C@H](C(=O)c1ccc2ccccc2n1)c1ccncn1 ZINC000354465864 227004000 /nfs/dbraw/zinc/00/40/00/227004000.db2.gz IODVQIAPYAKSBK-LBPRGKRZSA-N 0 1 274.283 2.515 20 30 CFEDMN N#CCC1CCN(C(=O)c2cnc(-c3ccccc3)[nH]2)CC1 ZINC000336615061 227183608 /nfs/dbraw/zinc/18/36/08/227183608.db2.gz IGENILQUKISVLA-UHFFFAOYSA-N 0 1 294.358 2.843 20 30 CFEDMN Cc1n[nH]c(C(F)F)c1NC(=O)[C@@H]1C[C@H](C)CC(=O)N1 ZINC000329003627 227254500 /nfs/dbraw/zinc/25/45/00/227254500.db2.gz HMSRXSMVCQHEJG-FSPLSTOPSA-N 0 1 286.282 2.999 20 30 CFEDMN Cc1cccc2nc(CCC(=O)N[C@H]3CCC[C@@H]3C#N)[nH]c21 ZINC000331489899 228106724 /nfs/dbraw/zinc/10/67/24/228106724.db2.gz CWDZYYYRLRJZBW-OLZOCXBDSA-N 0 1 296.374 2.612 20 30 CFEDMN O=C(Cn1cc2ccccc2n1)N[C@H]1CCCc2cn[nH]c21 ZINC000330163246 228053951 /nfs/dbraw/zinc/05/39/51/228053951.db2.gz VASHQQRULOLRRT-AWEZNQCLSA-N 0 1 295.346 2.794 20 30 CFEDMN O=C(NC1(c2nnc[nH]2)CCC1)C1CCC(F)(F)CC1 ZINC000330311204 228135635 /nfs/dbraw/zinc/13/56/35/228135635.db2.gz VOWYZDQTBYQSOH-UHFFFAOYSA-N 0 1 284.310 2.966 20 30 CFEDMN Cc1csc(C(C#N)C(=O)c2cn(C)nc2C(C)C)n1 ZINC000353639481 228136590 /nfs/dbraw/zinc/13/65/90/228136590.db2.gz WDWFWEILYYEGJG-SNVBAGLBSA-N 0 1 288.376 2.799 20 30 CFEDMN C[C@@H](CC#N)N(C)C(=O)c1ccc(Nc2ccncc2)cc1 ZINC000353774289 228152430 /nfs/dbraw/zinc/15/24/30/228152430.db2.gz BLPVCZFMICODLP-ZDUSSCGKSA-N 0 1 294.358 2.621 20 30 CFEDMN C=CCCCN1CCN(C(=O)c2cc(C)oc2C)CC1 ZINC000117874606 260117677 /nfs/dbraw/zinc/11/76/77/260117677.db2.gz RRILSTAVRKQYGZ-UHFFFAOYSA-N 0 1 276.380 2.620 20 30 CFEDMN Cc1ncc(CN(C)CCCSCC#N)s1 ZINC000080631454 260317441 /nfs/dbraw/zinc/31/74/41/260317441.db2.gz YXYWAUGAZGRGGN-UHFFFAOYSA-N 0 1 255.412 2.530 20 30 CFEDMN CC(C)C(N)=NOCc1nc(C(F)(F)F)cs1 ZINC000185457244 262055233 /nfs/dbraw/zinc/05/52/33/262055233.db2.gz OVEMOJWQCKSZCB-UHFFFAOYSA-N 0 1 267.276 2.607 20 30 CFEDMN C=CC[C@@H](CO)N[C@@H](C)c1csc(C(C)C)n1 ZINC000186503614 262095761 /nfs/dbraw/zinc/09/57/61/262095761.db2.gz PTISZDFILCEPPE-QWRGUYRKSA-N 0 1 254.399 2.854 20 30 CFEDMN N#CCCN(CCC#N)Cc1cnc(-c2ccccc2)[nH]1 ZINC000187359173 262133645 /nfs/dbraw/zinc/13/36/45/262133645.db2.gz PUGVCGQUUYUJJL-UHFFFAOYSA-N 0 1 279.347 2.706 20 30 CFEDMN N#CCCCSc1nc(Cc2ccccc2)n[nH]1 ZINC000194589137 262239828 /nfs/dbraw/zinc/23/98/28/262239828.db2.gz WURGHMOROHOLPE-UHFFFAOYSA-N 0 1 258.350 2.791 20 30 CFEDMN O=C1CCCN1C[C@H]1CCCCN1CC#Cc1ccccc1 ZINC000364471855 262248034 /nfs/dbraw/zinc/24/80/34/262248034.db2.gz IPHVWRCHOSNKNJ-GOSISDBHSA-N 0 1 296.414 2.515 20 30 CFEDMN C=CC1CCN(CC(=O)Nc2ccc(F)cc2)CC1 ZINC000111258434 262259182 /nfs/dbraw/zinc/25/91/82/262259182.db2.gz NMKSQIRVBMHTSB-UHFFFAOYSA-N 0 1 262.328 2.662 20 30 CFEDMN CC(C)CCCN1C[C@H](C#N)[C@@]2(C1)c1ccccc1NC2=O ZINC000364850624 262262686 /nfs/dbraw/zinc/26/26/86/262262686.db2.gz CAGHPRQONQQSJY-KSSFIOAISA-N 0 1 297.402 2.768 20 30 CFEDMN C=C(C)CN(C)CC(=O)N1CC=C(c2ccccc2)CC1 ZINC000364873712 262263696 /nfs/dbraw/zinc/26/36/96/262263696.db2.gz SCAHTFSFLZTBPV-UHFFFAOYSA-N 0 1 284.403 2.810 20 30 CFEDMN C=CCc1cc(CN2CCOCC[C@@H]2C)cc(OC)c1O ZINC000367710897 262265702 /nfs/dbraw/zinc/26/57/02/262265702.db2.gz WUOGKVZZWNZMFD-ZDUSSCGKSA-N 0 1 291.391 2.740 20 30 CFEDMN C=CC[C@H](CO)NCc1csc(-c2ccc(F)cc2)n1 ZINC000184272207 262275802 /nfs/dbraw/zinc/27/58/02/262275802.db2.gz PQWIESLGXUMXNS-CYBMUJFWSA-N 0 1 292.379 2.976 20 30 CFEDMN N#C[C@@H]1CCC[C@@H](N[C@@H](c2nnc[nH]2)c2ccccc2)C1 ZINC000365150916 262280701 /nfs/dbraw/zinc/28/07/01/262280701.db2.gz SQYYJWRNCPKHFC-BPLDGKMQSA-N 0 1 281.363 2.566 20 30 CFEDMN N#Cc1ccc(C(=O)N2CCc3c2cccc3F)cc1O ZINC000188802412 262330886 /nfs/dbraw/zinc/33/08/86/262330886.db2.gz LDDIQGULDIAMFY-UHFFFAOYSA-N 0 1 282.274 2.606 20 30 CFEDMN C[C@H]1CC[S@@](=O)CCN1CCCCC(C)(C)C#N ZINC000365600364 262373090 /nfs/dbraw/zinc/37/30/90/262373090.db2.gz OVVLUAQMIFLYEW-SCLBCKFNSA-N 0 1 270.442 2.549 20 30 CFEDMN CC(C)[C@H](O)CN1CCC[C@H]1[C@@H](C#N)c1ccccc1 ZINC000336832979 262399157 /nfs/dbraw/zinc/39/91/57/262399157.db2.gz XFKNHLLZIPFRSN-YESZJQIVSA-N 0 1 272.392 2.775 20 30 CFEDMN COC(=O)c1ccc(CN[C@H](CCC#N)c2ccccc2)[nH]1 ZINC000272763066 263008689 /nfs/dbraw/zinc/00/86/89/263008689.db2.gz QVPJZOROYDWUJO-OAHLLOKOSA-N 0 1 297.358 2.936 20 30 CFEDMN Cc1ccn2cc(CN[C@@H]3CCC[C@H](C#N)C3)nc2c1 ZINC000274176116 263021648 /nfs/dbraw/zinc/02/16/48/263021648.db2.gz DAMXSXCBVFBIDQ-UONOGXRCSA-N 0 1 268.364 2.815 20 30 CFEDMN C[C@H](Cn1cccn1)NCc1ccc(Cl)cc1C#N ZINC000274783429 263030271 /nfs/dbraw/zinc/03/02/71/263030271.db2.gz LHVXEPACRQVDGP-LLVKDONJSA-N 0 1 274.755 2.586 20 30 CFEDMN C=CCOc1cccc(C[N@H+](CC(=O)[O-])[C@@H](C)CC)c1 ZINC000414685038 263032187 /nfs/dbraw/zinc/03/21/87/263032187.db2.gz RSLNOZWPBQNOHT-ZDUSSCGKSA-N 0 1 277.364 2.937 20 30 CFEDMN CCOc1cccc(CN(CCO)CCC(C)(C)C#N)c1 ZINC000452048611 263032859 /nfs/dbraw/zinc/03/28/59/263032859.db2.gz QCCXBYVGBLKMRK-UHFFFAOYSA-N 0 1 290.407 2.819 20 30 CFEDMN N#C[C@H]1CC[C@@H](N2CCN(c3ccc(F)cc3)CC2)C1 ZINC000278761505 263050600 /nfs/dbraw/zinc/05/06/00/263050600.db2.gz XXKSOGHSCRIZMK-XJKSGUPXSA-N 0 1 273.355 2.640 20 30 CFEDMN C=CCC(CC=C)C(=O)Nc1nc(-c2ccncc2)n[nH]1 ZINC000366606062 263070634 /nfs/dbraw/zinc/07/06/34/263070634.db2.gz XOXHTDLTUSMLGN-UHFFFAOYSA-N 0 1 283.335 2.574 20 30 CFEDMN CC[C@@](C)(C#N)C(=O)Nc1cccc(Cl)c1O ZINC000285661487 263095027 /nfs/dbraw/zinc/09/50/27/263095027.db2.gz DGMKQJZDDGKKCM-LBPRGKRZSA-N 0 1 252.701 2.924 20 30 CFEDMN Cc1ccc2[nH]cc(C(=O)NCCCCC#N)c(=O)c2c1 ZINC000286323139 263098128 /nfs/dbraw/zinc/09/81/28/263098128.db2.gz ZVJOHIXPKBQANT-UHFFFAOYSA-N 0 1 283.331 2.673 20 30 CFEDMN Cc1[nH]c(SC[C@H](O)CC#N)nc1Cc1ccccc1 ZINC000287202113 263101159 /nfs/dbraw/zinc/10/11/59/263101159.db2.gz LWYJCCUWJOWYLU-CYBMUJFWSA-N 0 1 287.388 2.676 20 30 CFEDMN N#C[C@H]1CC[C@H](Sc2nc(-c3ccccc3O)n[nH]2)C1 ZINC000287573310 263102116 /nfs/dbraw/zinc/10/21/16/263102116.db2.gz PWLIVPBPBOIGGV-UWVGGRQHSA-N 0 1 286.360 2.962 20 30 CFEDMN COCc1nc(CNCC(C)(C)CCC#N)cs1 ZINC000288361467 263104097 /nfs/dbraw/zinc/10/40/97/263104097.db2.gz CXTUDSSHRBGWOW-UHFFFAOYSA-N 0 1 267.398 2.709 20 30 CFEDMN COc1ccc(CN[C@@H](C)CF)cc1OCCCC#N ZINC000288467113 263104505 /nfs/dbraw/zinc/10/45/05/263104505.db2.gz OQSHQLFBOAHGQV-LBPRGKRZSA-N 0 1 280.343 2.825 20 30 CFEDMN COC[C@@H](NCCCC#N)c1cccc(Cl)c1 ZINC000288792612 263105998 /nfs/dbraw/zinc/10/59/98/263105998.db2.gz LGDFHDJGSFTIRL-CYBMUJFWSA-N 0 1 252.745 2.921 20 30 CFEDMN Cc1nc([C@H]2CCCCN2CC#Cc2ccc(F)cc2)n[nH]1 ZINC000366671344 263113811 /nfs/dbraw/zinc/11/38/11/263113811.db2.gz ZIRWPNHQZAIBDG-MRXNPFEDSA-N 0 1 298.365 2.831 20 30 CFEDMN CCC(N)=NOC[C@@H](OC(C)C)c1ccccc1 ZINC000292126854 263128712 /nfs/dbraw/zinc/12/87/12/263128712.db2.gz RYCUWPQPZIQNKC-CYBMUJFWSA-N 0 1 250.342 2.852 20 30 CFEDMN CN(Cc1ccc([S@](C)=O)cc1)[C@@H]1CC[C@H](C#N)C1 ZINC000292888956 263136193 /nfs/dbraw/zinc/13/61/93/263136193.db2.gz UYNAZAUSQQPTQD-KSMMKXTCSA-N 0 1 276.405 2.548 20 30 CFEDMN N#C[C@@H]1CC[C@@H](N2CCC[C@@H](Oc3ncccc3F)C2)C1 ZINC000293947155 263153114 /nfs/dbraw/zinc/15/31/14/263153114.db2.gz BMWUZIXMHPLHKE-MGPQQGTHSA-N 0 1 289.354 2.756 20 30 CFEDMN CC(C)[C@@](C)(C#N)NC(=O)CN1CCC[C@H]1c1ccccc1 ZINC000294210517 263157871 /nfs/dbraw/zinc/15/78/71/263157871.db2.gz ITVOVSONROMBCC-FUHWJXTLSA-N 0 1 299.418 2.878 20 30 CFEDMN C=CCCCN[C@H](c1cn[nH]n1)c1ccc(F)cc1 ZINC000340504118 263174464 /nfs/dbraw/zinc/17/44/64/263174464.db2.gz CWMLRSDJXUQMMB-AWEZNQCLSA-N 0 1 260.316 2.589 20 30 CFEDMN N#CCN(Cc1cc(Cl)c(F)cc1O)C1CC1 ZINC000295427602 263177621 /nfs/dbraw/zinc/17/76/21/263177621.db2.gz SVMCTLASAPDMOG-UHFFFAOYSA-N 0 1 254.692 2.673 20 30 CFEDMN C[C@H](C#N)CN(C)Cc1cc(Cl)c(F)cc1O ZINC000295495426 263178245 /nfs/dbraw/zinc/17/82/45/263178245.db2.gz XZPIKNSEQZCFAL-MRVPVSSYSA-N 0 1 256.708 2.776 20 30 CFEDMN N#CC[C@@H]1CC[C@H](NC(=O)c2cc(F)cc3nc[nH]c32)C1 ZINC000296890849 263197871 /nfs/dbraw/zinc/19/78/71/263197871.db2.gz KWQDOPQJUDAOSV-ONGXEEELSA-N 0 1 286.310 2.514 20 30 CFEDMN Cc1ccc2nc([C@H]3CCCN3CCC#N)[nH]c2c1 ZINC000298502021 263220571 /nfs/dbraw/zinc/22/05/71/263220571.db2.gz KCTVQHIBDLWHQR-CQSZACIVSA-N 0 1 254.337 2.922 20 30 CFEDMN C[C@H](CCC#N)N1CCC[C@H](Oc2ncccc2F)C1 ZINC000298551712 263222174 /nfs/dbraw/zinc/22/21/74/263222174.db2.gz OGDBYAJMPHYTAP-OLZOCXBDSA-N 0 1 277.343 2.756 20 30 CFEDMN CCN(CCCC#N)Cc1ccc(OC)cc1OC ZINC000299365424 263241052 /nfs/dbraw/zinc/24/10/52/263241052.db2.gz DMIKSQPYOFZUHZ-UHFFFAOYSA-N 0 1 262.353 2.829 20 30 CFEDMN Cc1cc(C)cc(N(CCC#N)C(=O)CN2CC[C@@H](C)C2)c1 ZINC000299666439 263251459 /nfs/dbraw/zinc/25/14/59/263251459.db2.gz RKROEXBLUGDQCM-CQSZACIVSA-N 0 1 299.418 2.892 20 30 CFEDMN CC[C@@H]1CCCC[C@@H]1[N@@H+](C)CC(=O)N[C@@](C)(C#N)C(C)C ZINC000120826834 263286827 /nfs/dbraw/zinc/28/68/27/263286827.db2.gz WJNWLLZWOXUWMZ-VYDXJSESSA-N 0 1 293.455 2.941 20 30 CFEDMN C=CCN(C)[C@@H](C)C(=O)N[C@H](C)c1ccc(F)cc1 ZINC000121338847 263290531 /nfs/dbraw/zinc/29/05/31/263290531.db2.gz WUSAHXMUFSZIIO-NEPJUHHUSA-N 0 1 264.344 2.509 20 30 CFEDMN C=CCN(C)Cc1cccc(C(=O)NCC(C)C)c1 ZINC000121435711 263294979 /nfs/dbraw/zinc/29/49/79/263294979.db2.gz RMEUOTBHRBFRMZ-UHFFFAOYSA-N 0 1 260.381 2.690 20 30 CFEDMN Cc1n[nH]c(C(C)C)c1C(=O)NC[C@@H]1CCO[C@@H](C)C1 ZINC000330622832 263997397 /nfs/dbraw/zinc/99/73/97/263997397.db2.gz DEFRAOHBBDZNIF-CMPLNLGQSA-N 0 1 279.384 2.961 20 30 CFEDMN CCS[C@@H]1CC[C@H](N(C)C(=O)NCc2cn[nH]c2C)C1 ZINC000330835772 264051257 /nfs/dbraw/zinc/05/12/57/264051257.db2.gz LPFODHFYSNJOGX-QWHCGFSZSA-N 0 1 296.440 2.738 20 30 CFEDMN Cc1[nH]ncc1CNC(=O)NC(C)(C)CC(C)(C)C ZINC000330853687 264068507 /nfs/dbraw/zinc/06/85/07/264068507.db2.gz RCPQXQHKDBWGOF-UHFFFAOYSA-N 0 1 266.389 2.937 20 30 CFEDMN Cc1[nH]ncc1CNC(=O)Nc1ncc(C(C)(C)C)s1 ZINC000330896658 264078459 /nfs/dbraw/zinc/07/84/59/264078459.db2.gz NKOOEOHDPMWJKX-UHFFFAOYSA-N 0 1 293.396 2.998 20 30 CFEDMN C[C@@H]1CCCC[N@H+]1CCNC(=O)Nc1ccc(Cl)cn1 ZINC000331110040 264126261 /nfs/dbraw/zinc/12/62/61/264126261.db2.gz IMFNVKIXVZEEAK-LLVKDONJSA-N 0 1 296.802 2.935 20 30 CFEDMN CC[C@H](C)N(C)C([O-])=[NH+][C@H]1CCc2cnn(C(C)C)c2C1 ZINC000331125470 264132416 /nfs/dbraw/zinc/13/24/16/264132416.db2.gz YQOAHAKZNATZCB-JSGCOSHPSA-N 0 1 292.427 2.966 20 30 CFEDMN CC[C@H](C)C[C@H](C)NC(=O)N1CCC[C@H](c2nc[nH]n2)C1 ZINC000331137595 264135548 /nfs/dbraw/zinc/13/55/48/264135548.db2.gz QFLPFOYYYKLMFL-AVGNSLFASA-N 0 1 293.415 2.723 20 30 CFEDMN CC[C@H](C)[C@H](C)NC(=O)N1CCC(c2cnc[nH]2)CC1 ZINC000331243768 264177559 /nfs/dbraw/zinc/17/75/59/264177559.db2.gz ZAULTCJXQPENAH-RYUDHWBXSA-N 0 1 278.400 2.938 20 30 CFEDMN CC[C@H](C)[C@@H](C)NC(=O)N1CCC(c2cnc[nH]2)CC1 ZINC000331243767 264178095 /nfs/dbraw/zinc/17/80/95/264178095.db2.gz ZAULTCJXQPENAH-NWDGAFQWSA-N 0 1 278.400 2.938 20 30 CFEDMN CCCC1CCC(NC(=O)N(C)Cc2nnc[nH]2)CC1 ZINC000331357676 264208028 /nfs/dbraw/zinc/20/80/28/264208028.db2.gz UGKZPAGEIBXGTP-UHFFFAOYSA-N 0 1 279.388 2.509 20 30 CFEDMN C[C@@H](O)[C@H]1CCCCN1CC#Cc1cccc(Cl)c1 ZINC000160055759 264222718 /nfs/dbraw/zinc/22/27/18/264222718.db2.gz OIQQUIUIIFZXLT-CZUORRHYSA-N 0 1 277.795 2.927 20 30 CFEDMN C=C(C)C(C)(C)C(=O)N1CCN([C@@H](C)CC)CC1 ZINC000424870199 264257414 /nfs/dbraw/zinc/25/74/14/264257414.db2.gz KPCZAHPNCTUALG-ZDUSSCGKSA-N 0 1 252.402 2.531 20 30 CFEDMN C=CC[C@@H](C)NC(=O)NCCN(CC)CCC(F)(F)F ZINC000425999930 264304207 /nfs/dbraw/zinc/30/42/07/264304207.db2.gz QQWOZJYZHMBVGX-LLVKDONJSA-N 0 1 295.349 2.525 20 30 CFEDMN N#CC1(CN2CCC[C@H]2Cn2cnc3ccccc32)CC1 ZINC000343280908 264337000 /nfs/dbraw/zinc/33/70/00/264337000.db2.gz VONPIALLXVLXFB-AWEZNQCLSA-N 0 1 280.375 2.804 20 30 CFEDMN COC(=O)c1cnc([C@@H](C)NCCCC(C)(C)C#N)s1 ZINC000425492978 264359200 /nfs/dbraw/zinc/35/92/00/264359200.db2.gz UNRJWGAFTYSKOR-SNVBAGLBSA-N 0 1 295.408 2.910 20 30 CFEDMN C[C@H](C#N)NC(=O)c1cc(Cl)c2ccccc2c1O ZINC000094062290 265213283 /nfs/dbraw/zinc/21/32/83/265213283.db2.gz TVXAAMJMIKDYFI-MRVPVSSYSA-N 0 1 274.707 2.841 20 30 CFEDMN N#CCC[C@H](C#N)CNCCc1cccc2cccnc21 ZINC000514598748 266012499 /nfs/dbraw/zinc/01/24/99/266012499.db2.gz JTQRQDDSIPXRAA-CQSZACIVSA-N 0 1 278.359 2.810 20 30 CFEDMN C[C@@H]1CN(C(=O)C[C@H](CC#N)c2ccccc2)[C@H](C)CN1C ZINC000356587749 266143196 /nfs/dbraw/zinc/14/31/96/266143196.db2.gz DALYJPAMKGZDTK-INMHGKMJSA-N 0 1 299.418 2.625 20 30 CFEDMN C[C@@H]1CC[C@H](O)CN1Cc1ccc(C#N)cc1Cl ZINC000399214542 267030862 /nfs/dbraw/zinc/03/08/62/267030862.db2.gz SQSQACZCHNGHJQ-MFKMUULPSA-N 0 1 264.756 2.557 20 30 CFEDMN C[C@@H]1CN(c2ccnc(C#N)c2)CCN1Cc1ccccc1 ZINC000396411790 267062902 /nfs/dbraw/zinc/06/29/02/267062902.db2.gz MMKWJWLLLVJLIU-OAHLLOKOSA-N 0 1 292.386 2.664 20 30 CFEDMN COCCCN1CCC[C@@H]1[C@H](C#N)c1ccccc1 ZINC000363285789 267084622 /nfs/dbraw/zinc/08/46/22/267084622.db2.gz SQMHBJWGFQYIDO-HZPDHXFCSA-N 0 1 258.365 2.795 20 30 CFEDMN CC(C)(CCC#N)CN1CCN(c2ccc(F)cn2)CC1 ZINC000367722483 267113033 /nfs/dbraw/zinc/11/30/33/267113033.db2.gz QPUVGSAQXWVJHB-UHFFFAOYSA-N 0 1 290.386 2.673 20 30 CFEDMN C[C@@H]1CCN(Cc2ccccc2)CCN1C(=O)C(C)(C)C#N ZINC000368694967 267198605 /nfs/dbraw/zinc/19/86/05/267198605.db2.gz QCXNTSMFOXXQAC-OAHLLOKOSA-N 0 1 299.418 2.659 20 30 CFEDMN C=CCC(CC=C)C(=O)N[C@@H](c1nnc[nH]1)c1ccccc1 ZINC000368826485 267207315 /nfs/dbraw/zinc/20/73/15/267207315.db2.gz VUGXLQWGEHNTML-OAHLLOKOSA-N 0 1 296.374 2.779 20 30 CFEDMN C=CCC(CC=C)C(=O)N[C@H](c1nnc[nH]1)c1ccccc1 ZINC000368826484 267207533 /nfs/dbraw/zinc/20/75/33/267207533.db2.gz VUGXLQWGEHNTML-HNNXBMFYSA-N 0 1 296.374 2.779 20 30 CFEDMN C=C(C)CN(C)C(=O)[C@@H]1CCc2[nH]c(C(C)C)nc2C1 ZINC000369639696 267257561 /nfs/dbraw/zinc/25/75/61/267257561.db2.gz PLBQZGRQWBOLAO-GFCCVEGCSA-N 0 1 275.396 2.673 20 30 CFEDMN C=CCCCC(=O)Nc1cccc(-c2nnc[nH]2)c1 ZINC000370064406 267288291 /nfs/dbraw/zinc/28/82/91/267288291.db2.gz ILHQZHVFELUOMR-UHFFFAOYSA-N 0 1 256.309 2.767 20 30 CFEDMN C=C(C)CN(CC)C(=O)CN1CCC(OC(C)(C)C)CC1 ZINC000119020224 267293373 /nfs/dbraw/zinc/29/33/73/267293373.db2.gz MUTWFMCDVVPYAF-UHFFFAOYSA-N 0 1 296.455 2.691 20 30 CFEDMN Cc1cccc(-c2cncc(C(=O)NC3=NO[C@H](C)C3)c2)c1 ZINC000370314510 267308567 /nfs/dbraw/zinc/30/85/67/267308567.db2.gz FXAKAFRRBHQASJ-GFCCVEGCSA-N 0 1 295.342 2.909 20 30 CFEDMN C=C(C)CN(CC)[C@@H](C)C(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000120110750 267381443 /nfs/dbraw/zinc/38/14/43/267381443.db2.gz GDYPORXVYVXRCK-LBPRGKRZSA-N 0 1 291.351 2.820 20 30 CFEDMN N#CCC[C@@H](C#N)CN1CCC2(Cc3ccccc3C2)C1 ZINC000377240815 268059248 /nfs/dbraw/zinc/05/92/48/268059248.db2.gz PLFUTPOQPKDHKD-HNNXBMFYSA-N 0 1 279.387 2.921 20 30 CFEDMN Cn1ccnc1[C@@H]1CCCN(CC#Cc2ccccc2)C1 ZINC000377265044 268061311 /nfs/dbraw/zinc/06/13/11/268061311.db2.gz CKPJSWIMTIWPRH-QGZVFWFLSA-N 0 1 279.387 2.651 20 30 CFEDMN CN1CCN(c2c(C#N)cnc3c(Cl)cccc32)CC1 ZINC000521230031 270426841 /nfs/dbraw/zinc/42/68/41/270426841.db2.gz QQGGNRPDUNVVNI-UHFFFAOYSA-N 0 1 286.766 2.512 20 30 CFEDMN C[C@@H](N[C@@H](C)C(=O)N1CCCCCC1)c1ccc(C#N)cc1 ZINC000127552329 274254162 /nfs/dbraw/zinc/25/41/62/274254162.db2.gz NNVRAULYDIUJSQ-CABCVRRESA-N 0 1 299.418 3.000 20 30 CFEDMN C[C@@H]1CN(c2c(C#N)cnc3ccccc32)C[C@H](C)N1C ZINC000135266451 274360443 /nfs/dbraw/zinc/36/04/43/274360443.db2.gz ZIGXNIBDDYSBBG-BETUJISGSA-N 0 1 280.375 2.635 20 30 CFEDMN C[C@@H]1CN(c2cc(Cl)ccc2C#N)C[C@@H](C)N1C ZINC000135265312 274361654 /nfs/dbraw/zinc/36/16/54/274361654.db2.gz KWOJPXQGSYKTQI-GHMZBOCLSA-N 0 1 263.772 2.740 20 30 CFEDMN Cc1nsc(N2CCN([C@@H](C)CC(C)C)CC2)c1C#N ZINC000451044831 274876032 /nfs/dbraw/zinc/87/60/32/274876032.db2.gz KYKLHHSDJAPMHU-LBPRGKRZSA-N 0 1 292.452 2.880 20 30 CFEDMN CC(C)C[C@H]1OCCC[C@@H]1NCc1nc(C#N)cs1 ZINC000352945725 275921291 /nfs/dbraw/zinc/92/12/91/275921291.db2.gz PIAPCDSTJODEPS-QWHCGFSZSA-N 0 1 279.409 2.698 20 30 CFEDMN C=CC[C@H](C)[C@H](C)N[C@H]1CS(=O)(=O)c2ccccc21 ZINC000269132493 276909469 /nfs/dbraw/zinc/90/94/69/276909469.db2.gz ZVCVHEIOWRIKGW-OBJOEFQTSA-N 0 1 279.405 2.705 20 30 CFEDMN CN1CCC[C@@H]1C(=O)NC[C@H]1CCO[C@@H]1c1ccccc1 ZINC000328609351 277055231 /nfs/dbraw/zinc/05/52/31/277055231.db2.gz CYOUTNJGUAAXOB-BZUAXINKSA-N 0 1 288.391 2.815 20 30 CFEDMN CN1Cc2ccccc2[C@@H](NCc2ccc(C#N)s2)C1 ZINC000371090494 277210781 /nfs/dbraw/zinc/21/07/81/277210781.db2.gz VGSKJOOFHVLKOG-INIZCTEOSA-N 0 1 283.400 2.896 20 30 CFEDMN CO[C@@H]1CCCC[C@H]1NCc1cccc(F)c1C#N ZINC000428427194 277644247 /nfs/dbraw/zinc/64/42/47/277644247.db2.gz QLYHXIFTKMODPM-HUUCEWRRSA-N 0 1 262.328 2.745 20 30 CFEDMN CC1(C)CCC[C@H](NC(=O)[C@@H]2CCc3[nH]nnc3C2)C1 ZINC000329030526 278237898 /nfs/dbraw/zinc/23/78/98/278237898.db2.gz LFOXJJMVERFICH-MNOVXSKESA-N 0 1 276.384 2.835 20 30 CFEDMN CC1(C)CCC[C@H](NC(=O)[C@@H]2CCc3nn[nH]c3C2)C1 ZINC000329030526 278237900 /nfs/dbraw/zinc/23/79/00/278237900.db2.gz LFOXJJMVERFICH-MNOVXSKESA-N 0 1 276.384 2.835 20 30 CFEDMN CC1(C)CCN(C(=O)N[C@H]2CCCc3cn[nH]c32)CC1 ZINC000329350665 278250653 /nfs/dbraw/zinc/25/06/53/278250653.db2.gz TUGLFYWQSLRVGG-LBPRGKRZSA-N 0 1 276.384 2.823 20 30 CFEDMN C[C@@H](N[C@@H]1c2ccccc2C[C@@H]1O)c1ccc(C#N)cc1 ZINC000269240165 278377905 /nfs/dbraw/zinc/37/79/05/278377905.db2.gz HPJBUHHMUFZSAC-OCBCSQNSSA-N 0 1 278.355 2.867 20 30 CFEDMN CC(C)Oc1ccc(C#N)cc1NC(=O)c1ncccc1O ZINC000123452138 280633190 /nfs/dbraw/zinc/63/31/90/280633190.db2.gz JJGWOZOTFBMRGT-UHFFFAOYSA-N 0 1 297.314 2.698 20 30 CFEDMN CCC[C@H](C)NC(=O)[C@H](C)N[C@H](C)c1ccc(C#N)cc1 ZINC000252431461 281076127 /nfs/dbraw/zinc/07/61/27/281076127.db2.gz JQUZNXNTIWXDPK-MJBXVCDLSA-N 0 1 287.407 2.902 20 30 CFEDMN N#Cc1ccc(CN2CCC(CCO)CC2)c(Cl)c1 ZINC000401039104 290025581 /nfs/dbraw/zinc/02/55/81/290025581.db2.gz SQEVIKRVZJHCBA-UHFFFAOYSA-N 0 1 278.783 2.806 20 30 CFEDMN CC[C@@H](NCc1ccnc(N(C)C)n1)c1ccc(C#N)cc1 ZINC000562498735 290048481 /nfs/dbraw/zinc/04/84/81/290048481.db2.gz IXDPSTNHGJKIDH-MRXNPFEDSA-N 0 1 295.390 2.655 20 30 CFEDMN N#Cc1cnn2cc(CN3CC(C4CCCCC4)C3)cnc12 ZINC000563149145 290108914 /nfs/dbraw/zinc/10/89/14/290108914.db2.gz GTUDQCODOLOQRG-UHFFFAOYSA-N 0 1 295.390 2.613 20 30 CFEDMN C=C(C)CN1CC[C@@H]1CN(C)C(=O)c1ccc(F)cc1 ZINC001085457020 782059955 /nfs/dbraw/zinc/05/99/55/782059955.db2.gz YYLFYILNOQTPJR-OAHLLOKOSA-N 0 1 276.355 2.548 20 30 CFEDMN Cc1sc(NC(=O)C23CCCN2CCC3)c(C#N)c1C ZINC000335458916 294075829 /nfs/dbraw/zinc/07/58/29/294075829.db2.gz FKCSHHRVQLKOPT-UHFFFAOYSA-N 0 1 289.404 2.804 20 30 CFEDMN N#CCCC1CCN([C@H]2CCc3ccccc3NC2=O)CC1 ZINC000335384061 335092113 /nfs/dbraw/zinc/09/21/13/335092113.db2.gz AQCKYVIYCLPGMJ-KRWDZBQOSA-N 0 1 297.402 2.956 20 30 CFEDMN C=C(C)CC[N@@H+]1CC[C@H]1CN(C)C(=O)c1ccc(C)o1 ZINC001085471383 782069703 /nfs/dbraw/zinc/06/97/03/782069703.db2.gz MTLRDJNRKMTNMM-AWEZNQCLSA-N 0 1 276.380 2.701 20 30 CFEDMN C[C@H](c1nccs1)N1CCN(CCCCC#N)CC1 ZINC000184601415 327830648 /nfs/dbraw/zinc/83/06/48/327830648.db2.gz YWIYGHUJGPSZNO-CYBMUJFWSA-N 0 1 278.425 2.516 20 30 CFEDMN N#CCCC1CCN(Cc2cnc(N3CCCC3)nc2)CC1 ZINC000563157317 327932467 /nfs/dbraw/zinc/93/24/67/327932467.db2.gz AUBHFQNHDFYJSF-UHFFFAOYSA-N 0 1 299.422 2.593 20 30 CFEDMN C=CCCc1ccccc1NC(=O)N1CC(N(C)C)C1 ZINC000337601743 327956775 /nfs/dbraw/zinc/95/67/75/327956775.db2.gz NLVKSEAYAZHPEN-UHFFFAOYSA-N 0 1 273.380 2.583 20 30 CFEDMN COCc1ccc(CN2CCC(C#N)(COC)CC2)cc1 ZINC000339167774 328000619 /nfs/dbraw/zinc/00/06/19/328000619.db2.gz CLAZRZRMJGIRRT-UHFFFAOYSA-N 0 1 288.391 2.585 20 30 CFEDMN C=CCN1C(=O)N=NC1S[C@@H]1CCC[C@H](C)C1 ZINC000531850521 328044868 /nfs/dbraw/zinc/04/48/68/328044868.db2.gz SYMHRYWEKUHGFO-VHSXEESVSA-N 0 1 253.371 2.841 20 30 CFEDMN C=CCCCCCNS(=O)(=O)[C@H](C)C(F)(F)F ZINC000571418065 328120706 /nfs/dbraw/zinc/12/07/06/328120706.db2.gz ROCKTXUFBSEHMW-SECBINFHSA-N 0 1 273.320 2.603 20 30 CFEDMN CCc1nnc(SCc2ccc(OCC#N)cc2)[nH]1 ZINC000264166579 328158138 /nfs/dbraw/zinc/15/81/38/328158138.db2.gz NDPYDONCYWMHDU-UHFFFAOYSA-N 0 1 274.349 2.562 20 30 CFEDMN CCc1n[nH]c(SCc2ccc(OCC#N)cc2)n1 ZINC000264166579 328158139 /nfs/dbraw/zinc/15/81/39/328158139.db2.gz NDPYDONCYWMHDU-UHFFFAOYSA-N 0 1 274.349 2.562 20 30 CFEDMN CN(CC(=O)Nc1ccccc1SCC#N)CC1CC1 ZINC000048580031 328317215 /nfs/dbraw/zinc/31/72/15/328317215.db2.gz GRIBVCTUIKAMDC-UHFFFAOYSA-N 0 1 289.404 2.583 20 30 CFEDMN N#Cc1ccc(NS(=O)(=O)c2cccs2)c(F)c1 ZINC000165826455 322385947 /nfs/dbraw/zinc/38/59/47/322385947.db2.gz JUFPVRJLXBXZMT-UHFFFAOYSA-N 0 1 282.321 2.560 20 30 CFEDMN Cc1ccc(-c2cc(C(=O)N(C)C3(C#N)CCC3)n[nH]2)cc1 ZINC000126505218 328390854 /nfs/dbraw/zinc/39/08/54/328390854.db2.gz ZYTDWRBLYGXUGV-UHFFFAOYSA-N 0 1 294.358 2.903 20 30 CFEDMN CC(=O)Nc1ccc(CNCc2ccc(C#N)s2)cc1 ZINC000176944008 323685462 /nfs/dbraw/zinc/68/54/62/323685462.db2.gz TZNRRNOKACNSCV-UHFFFAOYSA-N 0 1 285.372 2.868 20 30 CFEDMN N#Cc1ccc(C(=O)Nc2ccc(F)c(F)c2)cc1O ZINC000188214421 324011024 /nfs/dbraw/zinc/01/10/24/324011024.db2.gz WTYTTXILJDFXOM-UHFFFAOYSA-N 0 1 274.226 2.794 20 30 CFEDMN N#Cc1csc(-c2nc(-c3ccn4cncc4c3)no2)c1 ZINC000351048429 324299269 /nfs/dbraw/zinc/29/92/69/324299269.db2.gz NTMUIRBQBPVAAX-UHFFFAOYSA-N 0 1 293.311 2.984 20 30 CFEDMN C[C@H](CCO)N(Cc1ccccc1)Cc1ccc(C#N)cn1 ZINC000581436991 325121747 /nfs/dbraw/zinc/12/17/47/325121747.db2.gz RTXVTGGFBBUFKF-OAHLLOKOSA-N 0 1 295.386 2.726 20 30 CFEDMN C[C@@H](CNC[C@H](C#N)CCC#N)N(C)c1ccccc1 ZINC000563805220 328519697 /nfs/dbraw/zinc/51/96/97/328519697.db2.gz DCYUTKUOYCRGOW-GJZGRUSLSA-N 0 1 270.380 2.544 20 30 CFEDMN N#Cc1ccc2c(c1)[C@H](N[C@@H]1CCCc3c[nH]nc31)CC2 ZINC000584083066 325329073 /nfs/dbraw/zinc/32/90/73/325329073.db2.gz ZVSYUCKVEMBAKH-HZPDHXFCSA-N 0 1 278.359 2.936 20 30 CFEDMN CN(Cc1ccccc1)C(=O)CN1CCC(CCC#N)CC1 ZINC000564916219 327142321 /nfs/dbraw/zinc/14/23/21/327142321.db2.gz URLKGCYMCODFMU-UHFFFAOYSA-N 0 1 299.418 2.661 20 30 CFEDMN C=C(C)COCCNCc1ccn(-c2ccccc2)n1 ZINC000091062992 327166579 /nfs/dbraw/zinc/16/65/79/327166579.db2.gz LQZVIBSWOFHFOE-UHFFFAOYSA-N 0 1 271.364 2.555 20 30 CFEDMN C=CCC[C@@H](O)C[N@@H+](CC(=O)[O-])Cc1ccc(Cl)cc1 ZINC000518547204 327173336 /nfs/dbraw/zinc/17/33/36/327173336.db2.gz YTHLAWLXUHIVHD-CQSZACIVSA-N 0 1 297.782 2.554 20 30 CFEDMN CC(C)n1nccc1CNCc1ccc(CC#N)cc1 ZINC000569603703 327209372 /nfs/dbraw/zinc/20/93/72/327209372.db2.gz AEZXQIOKDWEVEH-UHFFFAOYSA-N 0 1 268.364 2.820 20 30 CFEDMN C=C(C)CN1CCN(c2ccc(C(=O)OC)cc2)C[C@@H]1C ZINC000109964905 327217639 /nfs/dbraw/zinc/21/76/39/327217639.db2.gz BWOZKGAILZNIAB-AWEZNQCLSA-N 0 1 288.391 2.560 20 30 CFEDMN CCCN1C(=O)N=NC1S[C@@H](C#N)c1ccccc1 ZINC000566496801 327399597 /nfs/dbraw/zinc/39/95/97/327399597.db2.gz NTTNWRZNTDIQAG-NSHDSACASA-N 0 1 274.349 2.751 20 30 CFEDMN C=CCCCCCNC(=O)[C@@H]1NCCc2ccccc21 ZINC000569707895 327538952 /nfs/dbraw/zinc/53/89/52/327538952.db2.gz LXNCJPBJSWTZNX-MRXNPFEDSA-N 0 1 272.392 2.736 20 30 CFEDMN C[C@H](C(=O)NC1(C#N)CCCCC1)N1CCC2(CCC2)C1 ZINC000122916875 329006889 /nfs/dbraw/zinc/00/68/89/329006889.db2.gz XSRQNRWIRLLMCQ-CQSZACIVSA-N 0 1 289.423 2.594 20 30 CFEDMN C#Cc1ccc(CN2C[C@H](CC)O[C@@]3(CCCOC3)C2)cc1 ZINC000377703177 329025823 /nfs/dbraw/zinc/02/58/23/329025823.db2.gz VZWPHEKKVOLROI-OALUTQOASA-N 0 1 299.414 2.828 20 30 CFEDMN C=C(C)CN(CC)C(=O)C1(N(C)C)Cc2ccccc2C1 ZINC000377792904 329029585 /nfs/dbraw/zinc/02/95/85/329029585.db2.gz ZQHIZTKXAAIPST-UHFFFAOYSA-N 0 1 286.419 2.510 20 30 CFEDMN C[C@@H](C#N)Oc1ccc(CN[C@@H]2CCCc3c[nH]nc32)cc1 ZINC000378164832 329042085 /nfs/dbraw/zinc/04/20/85/329042085.db2.gz UVXSPHVBTPYXIA-BLLLJJGKSA-N 0 1 296.374 2.868 20 30 CFEDMN Fc1ccc(C#CCN2CCCC[C@@H]2Cn2cccn2)cc1 ZINC000378221061 329043283 /nfs/dbraw/zinc/04/32/83/329043283.db2.gz LDNSWXHEYWDYPB-GOSISDBHSA-N 0 1 297.377 2.928 20 30 CFEDMN CC#CCN1CC=C(c2ccnc3[nH]ccc32)CC1 ZINC000378443580 329050362 /nfs/dbraw/zinc/05/03/62/329050362.db2.gz UAEBEMITVWFNIK-UHFFFAOYSA-N 0 1 251.333 2.675 20 30 CFEDMN CC(C)=CC(=O)NC1(C#N)CCN(Cc2ccccc2)CC1 ZINC000378480587 329052213 /nfs/dbraw/zinc/05/22/13/329052213.db2.gz ZQHPOPBHTWNKAO-UHFFFAOYSA-N 0 1 297.402 2.627 20 30 CFEDMN C=CCN(CC1CCCCC1)C(=O)[C@H]1C[C@@H]1c1nc[nH]n1 ZINC000378564976 329054867 /nfs/dbraw/zinc/05/48/67/329054867.db2.gz CZFTYDBPSONUJG-KBPBESRZSA-N 0 1 288.395 2.503 20 30 CFEDMN C=CCNC(=O)[C@@H](C)N1CCC(c2ccccc2C)CC1 ZINC000170953684 329072582 /nfs/dbraw/zinc/07/25/82/329072582.db2.gz SXHSXCQYJTVIFL-OAHLLOKOSA-N 0 1 286.419 2.865 20 30 CFEDMN C=C(C)CN(C)[C@@H](C)C(=O)N(C)C1CCCCC1 ZINC000181261913 329228393 /nfs/dbraw/zinc/22/83/93/329228393.db2.gz PZPBEXGXXUSPMA-ZDUSSCGKSA-N 0 1 252.402 2.674 20 30 CFEDMN C=C(C)CN(C)[C@H](C)C(=O)N1[C@H](C)CCC[C@H]1C ZINC000181264782 329228387 /nfs/dbraw/zinc/22/83/87/329228387.db2.gz DTCPRMLSZBVDBG-MGPQQGTHSA-N 0 1 252.402 2.672 20 30 CFEDMN C=C(C)C[N@H+](C)[C@H](C)C(=O)N[C@H]1CCC[C@H](C)[C@H]1C ZINC000181274956 329228846 /nfs/dbraw/zinc/22/88/46/329228846.db2.gz ABOCKCCGCINFEL-YJNKXOJESA-N 0 1 266.429 2.824 20 30 CFEDMN C=C(C)CN(C)[C@H](C)C(=O)N[C@H]1CCC[C@H](C)[C@H]1C ZINC000181274956 329228847 /nfs/dbraw/zinc/22/88/47/329228847.db2.gz ABOCKCCGCINFEL-YJNKXOJESA-N 0 1 266.429 2.824 20 30 CFEDMN C=C(C)CN(C)[C@H](CCCC)C(=O)Nc1cc(C)on1 ZINC000181289312 329230045 /nfs/dbraw/zinc/23/00/45/329230045.db2.gz NHYBEGZAQXPPER-CYBMUJFWSA-N 0 1 279.384 2.988 20 30 CFEDMN CC(C)Cn1ccnc1CN[C@@H]1CCC[C@H](C#N)C1 ZINC000185714343 329330376 /nfs/dbraw/zinc/33/03/76/329330376.db2.gz RVCJSDQKDAHULU-UONOGXRCSA-N 0 1 260.385 2.711 20 30 CFEDMN CCOc1ncccc1CN[C@@H]1CCC[C@H](C#N)C1 ZINC000185711685 329330571 /nfs/dbraw/zinc/33/05/71/329330571.db2.gz RKMLBLQRXGUCAS-GXTWGEPZSA-N 0 1 259.353 2.652 20 30 CFEDMN N#C[C@@H]1CC[C@H](N[C@H](c2ccccc2)c2cncnc2)C1 ZINC000583747340 329472096 /nfs/dbraw/zinc/47/20/96/329472096.db2.gz FCOLKUXSBQQRFI-XOKHGSTOSA-N 0 1 278.359 2.848 20 30 CFEDMN C=CC1CCN([C@H]2CCN(c3ccc(C#N)cc3)C2=O)CC1 ZINC000111260208 329541075 /nfs/dbraw/zinc/54/10/75/329541075.db2.gz GERUDIHFMXZQTI-KRWDZBQOSA-N 0 1 295.386 2.562 20 30 CFEDMN C=C(CC)CN[C@@H](C(N)=O)c1ccc(Br)cc1 ZINC000419269129 329713230 /nfs/dbraw/zinc/71/32/30/329713230.db2.gz NXYCMFIIJJXDPR-GFCCVEGCSA-N 0 1 297.196 2.531 20 30 CFEDMN CCN1C(=O)N=NC1SCC#Cc1ccccc1Cl ZINC000533009192 330323988 /nfs/dbraw/zinc/32/39/88/330323988.db2.gz IYESZCUHSGQBJY-UHFFFAOYSA-N 0 1 293.779 2.801 20 30 CFEDMN C=CCn1cc(CN[C@@H]2C[C@H](OC(C)(C)C)C2(C)C)nn1 ZINC000424294272 330335619 /nfs/dbraw/zinc/33/56/19/330335619.db2.gz KEBWJOREMCUZAJ-KGLIPLIRSA-N 0 1 292.427 2.536 20 30 CFEDMN C=CCCc1csc([C@H]2CN3CCC[C@@H]3CO2)n1 ZINC000090065565 330390120 /nfs/dbraw/zinc/39/01/20/330390120.db2.gz HVSYLZWOXAUYHF-CHWSQXEVSA-N 0 1 264.394 2.797 20 30 CFEDMN C=CC[C@@H](C)NC(=O)c1sccc1CN(C)C ZINC000446917162 330857796 /nfs/dbraw/zinc/85/77/96/330857796.db2.gz WBPDUSGWZMTFDZ-SNVBAGLBSA-N 0 1 252.383 2.504 20 30 CFEDMN C=CCC[C@@H](CO)NCc1ncc(C(C)(C)C)s1 ZINC000449701480 330944685 /nfs/dbraw/zinc/94/46/85/330944685.db2.gz WTWHJEGWMJVCKR-NSHDSACASA-N 0 1 268.426 2.857 20 30 CFEDMN CC(C)[C@H](C)NC(=O)C1CCN(CC2(C#N)CCC2)CC1 ZINC000450332712 330973058 /nfs/dbraw/zinc/97/30/58/330973058.db2.gz XSHLLZAXIMBHSO-AWEZNQCLSA-N 0 1 291.439 2.553 20 30 CFEDMN Cc1cnn(CC2CCN(CC3(C#N)CCC3)CC2)c1 ZINC000450378525 330975389 /nfs/dbraw/zinc/97/53/89/330975389.db2.gz NNOMEWSBORNPGU-UHFFFAOYSA-N 0 1 272.396 2.597 20 30 CFEDMN C[C@@H](NCC1(C#N)CCC1)[C@@H]1COc2ccccc21 ZINC000450740028 330997118 /nfs/dbraw/zinc/99/71/18/330997118.db2.gz SLIQQMXCUJLADL-OCCSQVGLSA-N 0 1 256.349 2.835 20 30 CFEDMN C=CCn1c(S[C@@H](C)C(=O)C2CCCCC2)n[nH]c1=O ZINC000450870955 331003940 /nfs/dbraw/zinc/00/39/40/331003940.db2.gz MRJZKDBDTLXQQW-JTQLQIEISA-N 0 1 295.408 2.800 20 30 CFEDMN CN(Cc1cc(C(C)(C)C)[nH]n1)CC1(C#N)CCC1 ZINC000450873664 331004106 /nfs/dbraw/zinc/00/41/06/331004106.db2.gz PIJQSYQWDUDEKK-UHFFFAOYSA-N 0 1 260.385 2.833 20 30 CFEDMN C=CCCC[C@H](C)[N@H+]1CCC[C@@H](c2n[n-]c(=O)o2)C1 ZINC000450894554 331005430 /nfs/dbraw/zinc/00/54/30/331005430.db2.gz GAGCCXVOFZPTHE-NWDGAFQWSA-N 0 1 265.357 2.699 20 30 CFEDMN C[C@]1(F)CCC[N@@H+](CCCC2(C#N)CCOCC2)C1 ZINC000451117358 331016315 /nfs/dbraw/zinc/01/63/15/331016315.db2.gz UXZHICHKURWYAH-AWEZNQCLSA-N 0 1 268.376 2.911 20 30 CFEDMN C=C[C@@H]1OCC[C@H]1NCc1nc(C(C)(C)C)cs1 ZINC000451608457 331036503 /nfs/dbraw/zinc/03/65/03/331036503.db2.gz SFAXGQXJXJVCPZ-MNOVXSKESA-N 0 1 266.410 2.874 20 30 CFEDMN C=C[C@@H]1OCCC[C@H]1NCc1nc(C)sc1C ZINC000451678682 331038707 /nfs/dbraw/zinc/03/87/07/331038707.db2.gz FNRXTFDIEAZSMU-YPMHNXCESA-N 0 1 252.383 2.583 20 30 CFEDMN C=CCCCCCN1CCC[C@@]2(CCS(=O)(=O)C2)C1 ZINC000451746883 331041054 /nfs/dbraw/zinc/04/10/54/331041054.db2.gz YFLQRWGZSGIXSN-OAHLLOKOSA-N 0 1 285.453 2.634 20 30 CFEDMN C=CCC1(C(=O)N[C@H](C)c2n[nH]c(C)n2)CCCCC1 ZINC000451749979 331041129 /nfs/dbraw/zinc/04/11/29/331041129.db2.gz SMYYMDNZJHACJB-LLVKDONJSA-N 0 1 276.384 2.817 20 30 CFEDMN N#CCC[C@H](C#N)CN1CCC[C@]2(CCSC2)C1 ZINC000451956452 331048252 /nfs/dbraw/zinc/04/82/52/331048252.db2.gz CWDGPGWULKNTOX-KGLIPLIRSA-N 0 1 263.410 2.649 20 30 CFEDMN C=CC(C)(C)CNC(=O)c1[nH]nc2c1CCCCC2 ZINC000452774660 331076218 /nfs/dbraw/zinc/07/62/18/331076218.db2.gz MHFIVAAMXQYICX-UHFFFAOYSA-N 0 1 261.369 2.621 20 30 CFEDMN C=CC[C@H](C)N[C@H](c1cn[nH]n1)c1ccc(F)cc1 ZINC000453149384 331094387 /nfs/dbraw/zinc/09/43/87/331094387.db2.gz SNVZDRFTGWJMGB-HZMBPMFUSA-N 0 1 260.316 2.587 20 30 CFEDMN CC(C#N)C(=O)N[C@H](CCC(C)(C)C)C(=O)OC(C)(C)C ZINC000456239161 331186994 /nfs/dbraw/zinc/18/69/94/331186994.db2.gz VXMJNKYXEWQVHZ-NWDGAFQWSA-N 0 1 296.411 2.799 20 30 CFEDMN C=C[C@@](C)(CC)C(=O)NC[C@@H](c1nc[nH]n1)c1ccccc1 ZINC000456690964 331198959 /nfs/dbraw/zinc/19/89/59/331198959.db2.gz LDKGXPGRWINYHY-PBHICJAKSA-N 0 1 298.390 2.655 20 30 CFEDMN C=CCOc1ccc(CN2CC(C)(COC)C2)cc1 ZINC000459624501 331291062 /nfs/dbraw/zinc/29/10/62/331291062.db2.gz VIEFXKSQHLHTRJ-UHFFFAOYSA-N 0 1 261.365 2.720 20 30 CFEDMN C=CCCCCCN1CCNC(=O)[C@H]1CC(C)C ZINC000488975741 332036092 /nfs/dbraw/zinc/03/60/92/332036092.db2.gz IFGILOMAFLZUAF-CQSZACIVSA-N 0 1 252.402 2.579 20 30 CFEDMN COCCN(CCCSCC#N)Cc1scnc1C ZINC000489413587 332050798 /nfs/dbraw/zinc/05/07/98/332050798.db2.gz YKAPVZUNAVDJDS-UHFFFAOYSA-N 0 1 299.465 2.547 20 30 CFEDMN C=C[C@H]1CCCCN1CC(=O)N([C@@H](C)C1CC1)C1CC1 ZINC000489419645 332050804 /nfs/dbraw/zinc/05/08/04/332050804.db2.gz ABZPNVYUXCVWSB-ZFWWWQNUSA-N 0 1 276.424 2.816 20 30 CFEDMN C=C[C@@H]1CCCCN1CC(=O)NCc1ccc(C)cc1 ZINC000489490017 332056006 /nfs/dbraw/zinc/05/60/06/332056006.db2.gz BZHAQSSVXJKHPO-MRXNPFEDSA-N 0 1 272.392 2.652 20 30 CFEDMN C=CCn1cccc1C(=O)Nc1ccc2nc[nH]c2c1 ZINC000489996654 332075929 /nfs/dbraw/zinc/07/59/29/332075929.db2.gz XPVCQZJVCLIWEB-UHFFFAOYSA-N 0 1 266.304 2.803 20 30 CFEDMN C#CCN1CCC(C(=O)OCc2cc(C)ccc2C)CC1 ZINC000490672310 332102039 /nfs/dbraw/zinc/10/20/39/332102039.db2.gz ZDUUTSBVPVSEJE-UHFFFAOYSA-N 0 1 285.387 2.692 20 30 CFEDMN C#CCN(C(=O)[C@@H]1CCCc2[nH]ncc21)C1CCCCC1 ZINC000490820303 332117762 /nfs/dbraw/zinc/11/77/62/332117762.db2.gz NBKQPTKHHOAIKJ-CQSZACIVSA-N 0 1 285.391 2.624 20 30 CFEDMN C#CCN1CCC(C(=O)OCc2ccc(CF)cc2)CC1 ZINC000490874719 332123697 /nfs/dbraw/zinc/12/36/97/332123697.db2.gz NQCLUWYQHLWKIX-UHFFFAOYSA-N 0 1 289.350 2.545 20 30 CFEDMN C#CCN(Cc1ccc(OC)c(OC)c1C)C1CC1 ZINC000491228676 332169654 /nfs/dbraw/zinc/16/96/54/332169654.db2.gz BLNSNQYOMRJENI-UHFFFAOYSA-N 0 1 259.349 2.610 20 30 CFEDMN C#C[C@H](N[C@H](C)Cn1cccn1)c1ccc(Cl)cc1 ZINC000491352212 332195560 /nfs/dbraw/zinc/19/55/60/332195560.db2.gz YFZBJGCPCYPUAS-DOMZBBRYSA-N 0 1 273.767 2.889 20 30 CFEDMN C#C[C@H](N[C@@H](C)Cn1cccn1)c1ccc(Cl)cc1 ZINC000491352215 332195755 /nfs/dbraw/zinc/19/57/55/332195755.db2.gz YFZBJGCPCYPUAS-WFASDCNBSA-N 0 1 273.767 2.889 20 30 CFEDMN C#C[C@H](C)N(C)C[C@H](O)c1ccc(C(F)(F)F)cc1 ZINC000491651772 332264749 /nfs/dbraw/zinc/26/47/49/332264749.db2.gz IXNGTVYTKGGUFV-GWCFXTLKSA-N 0 1 271.282 2.692 20 30 CFEDMN C#C[C@@H](CC)NCc1nc2ccc(OC)cc2s1 ZINC000491664747 332273815 /nfs/dbraw/zinc/27/38/15/332273815.db2.gz JVGBJGJNQUFVLU-JTQLQIEISA-N 0 1 260.362 2.806 20 30 CFEDMN C[C@H](NCC#Cc1cccc(Cl)c1)c1cn[nH]c1 ZINC000494674348 332482531 /nfs/dbraw/zinc/48/25/31/332482531.db2.gz PNDITRYFGGFYJV-NSHDSACASA-N 0 1 259.740 2.765 20 30 CFEDMN C=C(C)CN(CC)CC(=O)N[C@H](C)Cc1ccccc1C ZINC000513744137 333037214 /nfs/dbraw/zinc/03/72/14/333037214.db2.gz HNMGCUDGOUISMY-MRXNPFEDSA-N 0 1 288.435 2.940 20 30 CFEDMN C=CCN(Cc1ccccc1F)C(=O)CN(CC)C1CC1 ZINC000179042399 333079261 /nfs/dbraw/zinc/07/92/61/333079261.db2.gz MMXAYXYWJCFSNJ-UHFFFAOYSA-N 0 1 290.382 2.825 20 30 CFEDMN C[C@H](CCC#N)[N@H+]1C[C@@H](c2cnn(C)c2)C(C)(C)C1 ZINC000516978773 333088748 /nfs/dbraw/zinc/08/87/48/333088748.db2.gz IRDBNJUTWUVVBU-OCCSQVGLSA-N 0 1 260.385 2.538 20 30 CFEDMN C[C@H](NC[C@H](C#N)CCC#N)[C@@H]1Oc2ccccc2[C@@H]1C ZINC000517058014 333091239 /nfs/dbraw/zinc/09/12/39/333091239.db2.gz YYLVAPBMAOEPBQ-AYMQEEERSA-N 0 1 283.375 2.973 20 30 CFEDMN COc1cc(CCNC[C@@H](C#N)CCC#N)ccc1C ZINC000517633485 333104532 /nfs/dbraw/zinc/10/45/32/333104532.db2.gz HURXKHRNCLRAOI-OAHLLOKOSA-N 0 1 271.364 2.579 20 30 CFEDMN C=C[C@@](C)(CC)C(=O)N1CCN(C2CCCC2)CC1 ZINC000190106942 333203314 /nfs/dbraw/zinc/20/33/14/333203314.db2.gz DEBPSYIQTVQAEB-INIZCTEOSA-N 0 1 264.413 2.676 20 30 CFEDMN Cc1cc(S(=O)(=O)Nc2ccccc2CC#N)c(C)o1 ZINC000193358136 333248677 /nfs/dbraw/zinc/24/86/77/333248677.db2.gz KIVCNNWCMJJLNR-UHFFFAOYSA-N 0 1 290.344 2.763 20 30 CFEDMN C=CCCOCCNCc1nc2ccccc2n1CC ZINC000229880592 333794684 /nfs/dbraw/zinc/79/46/84/333794684.db2.gz WUNGUTOMUAPGTK-UHFFFAOYSA-N 0 1 273.380 2.739 20 30 CFEDMN C[C@H](C(=O)N(C)Cc1ccccc1)N1CCC(CC#N)CC1 ZINC000543811579 333901693 /nfs/dbraw/zinc/90/16/93/333901693.db2.gz SSURULNZWKZMLT-OAHLLOKOSA-N 0 1 299.418 2.659 20 30 CFEDMN C[C@@H](C(=O)N(C)C1(C#N)CCC(C)CC1)N1[C@H](C)C[C@@H]1C ZINC000547769163 334116149 /nfs/dbraw/zinc/11/61/49/334116149.db2.gz CERDJCKMKYXUNU-HJTLVLNNSA-N 0 1 291.439 2.788 20 30 CFEDMN N#CCCN(Cc1ccco1)C(=O)c1[nH]nc2ccccc21 ZINC000078362248 334132095 /nfs/dbraw/zinc/13/20/95/334132095.db2.gz KSVISALWKDKJSK-UHFFFAOYSA-N 0 1 294.314 2.712 20 30 CFEDMN C[C@H]1c2c(F)cccc2CCN1CCOCCC#N ZINC000549861066 334206664 /nfs/dbraw/zinc/20/66/64/334206664.db2.gz WSYHBRXQTMOWTO-LBPRGKRZSA-N 0 1 262.328 2.675 20 30 CFEDMN CCCCOCCN1CCC(C#N)(c2ccccn2)CC1 ZINC000554565306 334439150 /nfs/dbraw/zinc/43/91/50/334439150.db2.gz NNAFYDVGPAHGGY-UHFFFAOYSA-N 0 1 287.407 2.755 20 30 CFEDMN CCCC[C@H](C(=O)OC)N1CCC(CCC#N)CC1 ZINC000564915710 334528010 /nfs/dbraw/zinc/52/80/10/334528010.db2.gz AUFKTDBBUVWVEX-CQSZACIVSA-N 0 1 266.385 2.734 20 30 CFEDMN C#CCN1CCC(C(=O)N(CC(C)C)CC(C)(C)C)CC1 ZINC000153134926 334560086 /nfs/dbraw/zinc/56/00/86/334560086.db2.gz SGVAEQBISLGSDD-UHFFFAOYSA-N 0 1 292.467 2.862 20 30 CFEDMN CC[C@@H](CC#N)NCCC(=O)Nc1ccc(Cl)cc1 ZINC000572982259 334897514 /nfs/dbraw/zinc/89/75/14/334897514.db2.gz PVFMVOYLIFRKTH-LBPRGKRZSA-N 0 1 279.771 2.950 20 30 CFEDMN C=CCCC[C@H](C)NC(=O)N1CCN(CC(C)C)CC1 ZINC000181107812 335750586 /nfs/dbraw/zinc/75/05/86/335750586.db2.gz OPYZDBZLHOFHKW-HNNXBMFYSA-N 0 1 281.444 2.714 20 30 CFEDMN Cc1cc(C)c([C@@H](C)N2CCN(C(=O)CC#N)CC2)c(C)c1 ZINC000579490080 335772974 /nfs/dbraw/zinc/77/29/74/335772974.db2.gz MMCRNBJAXPBEBS-MRXNPFEDSA-N 0 1 299.418 2.731 20 30 CFEDMN C=CCC[C@@H](C(=O)NCCCc1nc[nH]n1)c1ccccc1 ZINC000581614486 336112624 /nfs/dbraw/zinc/11/26/24/336112624.db2.gz MALNZFCPEWMJSA-OAHLLOKOSA-N 0 1 298.390 2.604 20 30 CFEDMN C=CC(C)(C)CNCc1csc(N(CC)C(C)=O)n1 ZINC000384822999 336131886 /nfs/dbraw/zinc/13/18/86/336131886.db2.gz CNFMUFLDWQRHNY-UHFFFAOYSA-N 0 1 281.425 2.818 20 30 CFEDMN C=CCCCCSc1nc2n[nH]cc2c(=O)[nH]1 ZINC000581993122 336186644 /nfs/dbraw/zinc/18/66/44/336186644.db2.gz MSLJURHUCAYXQY-UHFFFAOYSA-N 0 1 250.327 2.507 20 30 CFEDMN C=CCCN1CC[C@H]1CN(C)C(=O)c1cc(C)c(C)o1 ZINC001085550068 782097851 /nfs/dbraw/zinc/09/78/51/782097851.db2.gz KEMJFFTVFPIQLW-AWEZNQCLSA-N 0 1 276.380 2.619 20 30 CFEDMN C#CCCN1CC[C@@H]1CN(C)C(=O)c1ccc2occc2c1 ZINC001085610315 782115227 /nfs/dbraw/zinc/11/52/27/782115227.db2.gz OZTKUKBCQHWQPW-MRXNPFEDSA-N 0 1 296.370 2.602 20 30 CFEDMN C=C(C)CN1CC[C@H]1CN(C)C(=O)C12CCC(CC1)C2 ZINC001085674254 782132873 /nfs/dbraw/zinc/13/28/73/782132873.db2.gz QIZXHAIEJYVXBZ-CKDBGZEDSA-N 0 1 276.424 2.676 20 30 CFEDMN C#CCCN1CC[C@@H]1CN(C)C(=O)c1cc(C)sc1C ZINC001085706725 782141475 /nfs/dbraw/zinc/14/14/75/782141475.db2.gz VJSGCPAPAVGXDY-CQSZACIVSA-N 0 1 290.432 2.535 20 30 CFEDMN CO[C@@H](CNC[C@H](C#N)CCC#N)C1CCCCC1 ZINC000596045831 500826913 /nfs/dbraw/zinc/82/69/13/500826913.db2.gz GRGQZGCDHRNPRP-ZFWWWQNUSA-N 0 1 263.385 2.615 20 30 CFEDMN COC(=O)c1cc(CN(C)[C@H](C)c2cccc(C#N)c2)c[nH]1 ZINC000425368136 533780696 /nfs/dbraw/zinc/78/06/96/533780696.db2.gz WCEFEROBYVFTSM-GFCCVEGCSA-N 0 1 297.358 2.866 20 30 CFEDMN COc1ccc(Cl)cc1C(=O)C(C#N)c1ccncn1 ZINC000354482356 533838781 /nfs/dbraw/zinc/83/87/81/533838781.db2.gz ZQXHDEYORGAXTP-LLVKDONJSA-N 0 1 287.706 2.629 20 30 CFEDMN COc1ccc(Cl)cc1C(=O)[C@H](C#N)c1ccncn1 ZINC000354482356 533838786 /nfs/dbraw/zinc/83/87/86/533838786.db2.gz ZQXHDEYORGAXTP-LLVKDONJSA-N 0 1 287.706 2.629 20 30 CFEDMN C=C(C)CN1CC[C@@H]1CN(C)C(=O)c1cc[nH]c1CCC ZINC001085778085 782160387 /nfs/dbraw/zinc/16/03/87/782160387.db2.gz LXYWAQWHPISTLS-CQSZACIVSA-N 0 1 289.423 2.690 20 30 CFEDMN O=C(Nc1scnc1C1CC1)[C@H]1CCc2[nH]nnc2C1 ZINC000329073237 534335343 /nfs/dbraw/zinc/33/53/43/534335343.db2.gz ZYQXDUHKVJEEOC-QMMMGPOBSA-N 0 1 289.364 2.532 20 30 CFEDMN O=C(Nc1scnc1C1CC1)[C@H]1CCc2nn[nH]c2C1 ZINC000329073237 534335350 /nfs/dbraw/zinc/33/53/50/534335350.db2.gz ZYQXDUHKVJEEOC-QMMMGPOBSA-N 0 1 289.364 2.532 20 30 CFEDMN C=C(C)CN1CCC(Nc2ccc(C(C)=O)cn2)CC1 ZINC000181056631 518603195 /nfs/dbraw/zinc/60/31/95/518603195.db2.gz CYIXQTIJMUKMEA-UHFFFAOYSA-N 0 1 273.380 2.737 20 30 CFEDMN CC(C)C[C@H](CO)N(C)Cc1cccc(C#N)c1F ZINC000360494915 519357636 /nfs/dbraw/zinc/35/76/36/519357636.db2.gz HZVBNCINIRGOPP-CQSZACIVSA-N 0 1 264.344 2.536 20 30 CFEDMN CC(C)N(Cc1cc(C#N)n(C)c1)Cc1ccco1 ZINC000361500692 519653546 /nfs/dbraw/zinc/65/35/46/519653546.db2.gz HYBWOOADMPCGOU-UHFFFAOYSA-N 0 1 257.337 2.900 20 30 CFEDMN Cc1oc(C(C)C)nc1C(=O)N[C@@H]1CCc2nc[nH]c2C1 ZINC000329155880 534544078 /nfs/dbraw/zinc/54/40/78/534544078.db2.gz CLHTYXKANMAFOE-SNVBAGLBSA-N 0 1 288.351 2.692 20 30 CFEDMN C=CCC1(C(=O)Nc2nc(-c3ccccn3)n[nH]2)CCC1 ZINC000192089936 534595951 /nfs/dbraw/zinc/59/59/51/534595951.db2.gz RUCMNBDRIFTDBV-UHFFFAOYSA-N 0 1 283.335 2.552 20 30 CFEDMN CC[C@H](O)[C@@H]1CCCCN1Cc1cn2ccccc2c1C#N ZINC000074287574 522825084 /nfs/dbraw/zinc/82/50/84/522825084.db2.gz ZVMHYYNSFGZBKC-ROUUACIJSA-N 0 1 297.402 2.936 20 30 CFEDMN CC[C@@H](NCc1ccc(C#N)c(OC)c1)c1cnn(C)c1 ZINC000353625886 522871425 /nfs/dbraw/zinc/87/14/25/522871425.db2.gz HHHKEKUMJMLJFU-OAHLLOKOSA-N 0 1 284.363 2.541 20 30 CFEDMN CN(CCOc1ccccc1C#N)Cc1ccoc1 ZINC000048554413 522918496 /nfs/dbraw/zinc/91/84/96/522918496.db2.gz XPLCXQNCQUVSIX-UHFFFAOYSA-N 0 1 256.305 2.662 20 30 CFEDMN C=CCCCN1CCOC[C@H]1C[C@H](O)c1ccccc1 ZINC000268735816 534718165 /nfs/dbraw/zinc/71/81/65/534718165.db2.gz YIJVBOFVUMOVTJ-SJORKVTESA-N 0 1 275.392 2.777 20 30 CFEDMN CO[C@@H]1CN(Cc2cc(C#N)ccc2F)CC[C@@H]1C ZINC000221124927 523737018 /nfs/dbraw/zinc/73/70/18/523737018.db2.gz YNBLECUXMCIOGG-XHDPSFHLSA-N 0 1 262.328 2.554 20 30 CFEDMN C[C@@H]1CC[C@H](C)CN1CC(=O)Nc1ccc(C#N)cc1 ZINC000088704548 524649617 /nfs/dbraw/zinc/64/96/17/524649617.db2.gz JYMFLDTWRWUHFU-QWHCGFSZSA-N 0 1 271.364 2.617 20 30 CFEDMN Cc1cccc([C@@H]2CCCN2Cc2cc(C#N)n(C)c2)n1 ZINC000191369759 524850323 /nfs/dbraw/zinc/85/03/23/524850323.db2.gz VMYHRXKCCRFLGA-KRWDZBQOSA-N 0 1 280.375 2.937 20 30 CFEDMN C[C@H](NCc1ccc(C#N)c(F)c1)c1ccccn1 ZINC000192173762 525435632 /nfs/dbraw/zinc/43/56/32/525435632.db2.gz JCTPJUOUQHINPN-NSHDSACASA-N 0 1 255.296 2.943 20 30 CFEDMN C[C@@H]1[C@@H](CO)CCCN1Cc1ccc(C#N)cc1Cl ZINC000335180369 525659915 /nfs/dbraw/zinc/65/99/15/525659915.db2.gz QANXSMJPNBKKOU-BXUZGUMPSA-N 0 1 278.783 2.804 20 30 CFEDMN Cc1cc2[nH]ncc2cc1NC(=O)c1ccc(C#N)c(C)n1 ZINC000360430553 525666371 /nfs/dbraw/zinc/66/63/71/525666371.db2.gz XUJGMWADDXZYMG-UHFFFAOYSA-N 0 1 291.314 2.699 20 30 CFEDMN Cc1cc(C#N)ccc1C(=O)Nc1ccc(F)cc1O ZINC000336378326 526193888 /nfs/dbraw/zinc/19/38/88/526193888.db2.gz PCNFJAHUHDHAHK-UHFFFAOYSA-N 0 1 270.263 2.964 20 30 CFEDMN C=C(C)CN(Cc1ccc(CO)o1)C[C@@H]1CCCCO1 ZINC000352814323 526559022 /nfs/dbraw/zinc/55/90/22/526559022.db2.gz HIRJQXCWXGFNLT-AWEZNQCLSA-N 0 1 279.380 2.719 20 30 CFEDMN N#Cc1ccc(C(=O)Nc2cc(Cl)c(O)cc2F)o1 ZINC000334964877 526600475 /nfs/dbraw/zinc/60/04/75/526600475.db2.gz ZXWNAFBOMBLXEI-UHFFFAOYSA-N 0 1 280.642 2.902 20 30 CFEDMN N#Cc1ccc(CN2CC[C@H](O)CC23CCC3)cc1F ZINC000334970482 526617767 /nfs/dbraw/zinc/61/77/67/526617767.db2.gz YTVAGUFKFCKGAO-AWEZNQCLSA-N 0 1 274.339 2.577 20 30 CFEDMN N#Cc1ccc(CN[C@@H](CCO)c2ccccc2)c(F)c1 ZINC000305760260 526624520 /nfs/dbraw/zinc/62/45/20/526624520.db2.gz DHRFNCVRRMWQKT-KRWDZBQOSA-N 0 1 284.334 2.911 20 30 CFEDMN N#Cc1ccc(CN[C@@H](CCO)c2ccccc2)cc1F ZINC000361868645 526625259 /nfs/dbraw/zinc/62/52/59/526625259.db2.gz NWPJLZHAAKFNBB-KRWDZBQOSA-N 0 1 284.334 2.911 20 30 CFEDMN N#Cc1ccc(Cl)cc1NCCN1CCSCC1 ZINC000227652112 526634875 /nfs/dbraw/zinc/63/48/75/526634875.db2.gz XZYXWBHYWOVVTD-UHFFFAOYSA-N 0 1 281.812 2.672 20 30 CFEDMN N#Cc1ccc(F)c(CN2CCC[C@@]3(CCOC3)C2)c1 ZINC000336294411 526637341 /nfs/dbraw/zinc/63/73/41/526637341.db2.gz DJNMRODELRWZQX-MRXNPFEDSA-N 0 1 274.339 2.700 20 30 CFEDMN N#Cc1cccc(NC(=O)c2cccc(-c3nnc[nH]3)c2)c1 ZINC000156651003 526721979 /nfs/dbraw/zinc/72/19/79/526721979.db2.gz DIHBLNVSNSSTDR-UHFFFAOYSA-N 0 1 289.298 2.596 20 30 CFEDMN Cc1oc(NC(=O)CN(C)CCC(C)C)c(C#N)c1C ZINC000049237387 526776844 /nfs/dbraw/zinc/77/68/44/526776844.db2.gz BPCASMVXJHVNRZ-UHFFFAOYSA-N 0 1 277.368 2.685 20 30 CFEDMN C=C(C)[C@@H]1OCC[C@H]1c1nc(-c2ccn3cncc3c2)no1 ZINC000347205104 526804449 /nfs/dbraw/zinc/80/44/49/526804449.db2.gz VHRIVNALKPIUHO-KGLIPLIRSA-N 0 1 296.330 2.833 20 30 CFEDMN Cc1nc(CNCCc2cccc(C#N)c2)cs1 ZINC000341457229 526886707 /nfs/dbraw/zinc/88/67/07/526886707.db2.gz KNMVQYCHWOEPLA-UHFFFAOYSA-N 0 1 257.362 2.656 20 30 CFEDMN C#CCN(CC)Cc1ccc(C(=O)OC)c(Cl)c1 ZINC000294958335 526896979 /nfs/dbraw/zinc/89/69/79/526896979.db2.gz KUTRZGYPOJDVLX-UHFFFAOYSA-N 0 1 265.740 2.582 20 30 CFEDMN C=CC[C@@H](CC)NS(=O)(=O)c1c(F)cccc1F ZINC000353176523 527052818 /nfs/dbraw/zinc/05/28/18/527052818.db2.gz GXGNDNOWLDNNRX-SECBINFHSA-N 0 1 275.320 2.598 20 30 CFEDMN Cc1nc2cccc(C(=O)NCc3cccc(C#N)c3)c2[nH]1 ZINC000338500007 527153971 /nfs/dbraw/zinc/15/39/71/527153971.db2.gz CEQUCASAVSGJIA-UHFFFAOYSA-N 0 1 290.326 2.673 20 30 CFEDMN C=C(C)CN1CC[C@@H]1CN(C)C(=O)C1CCC(=C)CC1 ZINC001085797841 782165968 /nfs/dbraw/zinc/16/59/68/782165968.db2.gz BSKGAYVBDKFOKT-MRXNPFEDSA-N 0 1 276.424 2.842 20 30 CFEDMN CC(C)C[C@@H](N)c1noc(COc2ccccc2C#N)n1 ZINC000414627079 528349511 /nfs/dbraw/zinc/34/95/11/528349511.db2.gz YTEZVEJAROBQPQ-GFCCVEGCSA-N 0 1 286.335 2.566 20 30 CFEDMN CC(C)C[C@H](N)c1noc(CCc2ccc(C#N)cc2)n1 ZINC000414622146 528557869 /nfs/dbraw/zinc/55/78/69/528557869.db2.gz SBEWXCJUVFBNIN-AWEZNQCLSA-N 0 1 284.363 2.772 20 30 CFEDMN CCN1CCC[C@H](NC(=O)c2oc(CC3CC3)nc2C)C1 ZINC000330020194 529081931 /nfs/dbraw/zinc/08/19/31/529081931.db2.gz WHTIUIUJQDHSOF-ZDUSSCGKSA-N 0 1 291.395 2.724 20 30 CFEDMN CC[C@H](C)Oc1cc(C(=O)[C@@H](C#N)c2ccncn2)ccn1 ZINC000354464911 529188916 /nfs/dbraw/zinc/18/89/16/529188916.db2.gz LENFRXGNJHKVIX-AAEUAGOBSA-N 0 1 296.330 2.539 20 30 CFEDMN CC[C@H](C)Oc1cc(C(=O)C(C#N)c2ccncn2)ccn1 ZINC000354464911 529188917 /nfs/dbraw/zinc/18/89/17/529188917.db2.gz LENFRXGNJHKVIX-AAEUAGOBSA-N 0 1 296.330 2.539 20 30 CFEDMN CC[C@H]1OCCC[C@H]1C(=O)Nc1nc(C2CCC2)n[nH]1 ZINC000330263050 529334227 /nfs/dbraw/zinc/33/42/27/529334227.db2.gz WAUGUEVZHVHXLU-GHMZBOCLSA-N 0 1 278.356 2.865 20 30 CFEDMN CC[C@H]1OCCC[C@H]1C(=O)Nc1n[nH]c(C2CCC2)n1 ZINC000330263050 529334228 /nfs/dbraw/zinc/33/42/28/529334228.db2.gz WAUGUEVZHVHXLU-GHMZBOCLSA-N 0 1 278.356 2.865 20 30 CFEDMN CCCCNC(=O)[C@@H]1CCCN(CC#Cc2ccccc2)C1 ZINC000191974707 535291984 /nfs/dbraw/zinc/29/19/84/535291984.db2.gz BROSZYNKFOAZAV-GOSISDBHSA-N 0 1 298.430 2.666 20 30 CFEDMN CC(C)c1cc(NCc2ccc(C#N)cc2)nc(N(C)C)n1 ZINC000433772291 535339815 /nfs/dbraw/zinc/33/98/15/535339815.db2.gz AABRLDPTJAPGCZ-UHFFFAOYSA-N 0 1 295.390 2.572 20 30 CFEDMN CO[C@]1(C)C[C@H](NCc2cccc(F)c2C#N)C1(C)C ZINC000451508715 536839883 /nfs/dbraw/zinc/83/98/83/536839883.db2.gz WMCUGFQPRBWGPD-GOEBONIOSA-N 0 1 276.355 2.991 20 30 CFEDMN C=C(C)CN1CC[C@@H]1CN(C)C(=O)C1Cc2ccccc2C1 ZINC001085838110 782178049 /nfs/dbraw/zinc/17/80/49/782178049.db2.gz ZZFXIFKYASAYAP-GOSISDBHSA-N 0 1 298.430 2.510 20 30 CFEDMN C#CCNC(=O)CN1CCCCC[C@@H]1/C=C/c1ccccc1 ZINC000753862256 574052242 /nfs/dbraw/zinc/05/22/42/574052242.db2.gz OCKHFPVRBNRZIY-QFQMRYFISA-N 0 1 296.414 2.694 20 30 CFEDMN Cc1ccc2c(c1)CCC2=NNC1=N[C@@H]2CCCC[C@@H]2N1 ZINC000753929030 574055436 /nfs/dbraw/zinc/05/54/36/574055436.db2.gz MZNIUGXGACDJPT-IYBDPMFKSA-N 0 1 282.391 2.505 20 30 CFEDMN CC(=NNC1=N[C@@H]2CCCC[C@@H]2N1)c1cc(C)sc1C ZINC000753937372 574056814 /nfs/dbraw/zinc/05/68/14/574056814.db2.gz DEVWVYZBEBGETM-OKILXGFUSA-N 0 1 290.436 2.949 20 30 CFEDMN Cc1cc(C=NNC2=N[C@H]3CCCC[C@@H]3N2)c(C)s1 ZINC000753938597 574057325 /nfs/dbraw/zinc/05/73/25/574057325.db2.gz KKUIIAGYLHZKRI-STQMWFEESA-N 0 1 276.409 2.559 20 30 CFEDMN C#CC(=O)Nc1ccc2nc(-c3ccc(F)cc3)[nH]c2c1 ZINC000753942992 574057590 /nfs/dbraw/zinc/05/75/90/574057590.db2.gz DUNVYHPIQKCQMF-UHFFFAOYSA-N 0 1 279.274 2.941 20 30 CFEDMN Fc1cc(C=NNC2CCCC2)ccc1N1CCOCC1 ZINC000727652262 574058880 /nfs/dbraw/zinc/05/88/80/574058880.db2.gz XFRQVYXKIYBKCG-UHFFFAOYSA-N 0 1 291.370 2.528 20 30 CFEDMN N#CC(C(=O)[C@@H]1CCCOC1)c1ccc2ccccc2n1 ZINC000727952836 574074770 /nfs/dbraw/zinc/07/47/70/574074770.db2.gz SPZGYCNNHUTZBJ-ZIAGYGMSSA-N 0 1 280.327 2.838 20 30 CFEDMN C=CCCC[N@@H+]1CCCC[C@H]1[C@H]1CCCN1C(=O)[O-] ZINC000738493921 574095980 /nfs/dbraw/zinc/09/59/80/574095980.db2.gz TWKNYOQWBGCKSK-UONOGXRCSA-N 0 1 266.385 2.950 20 30 CFEDMN CCNC(=S)Nc1ccccc1SCCC#N ZINC000730953073 574104640 /nfs/dbraw/zinc/10/46/40/574104640.db2.gz MGWNOAZQIOAECF-UHFFFAOYSA-N 0 1 265.407 2.999 20 30 CFEDMN COc1cccc2c1OCCC2N=Nc1ccc(F)cn1 ZINC000731318065 574116350 /nfs/dbraw/zinc/11/63/50/574116350.db2.gz GDWLSNQHZGUGGH-UHFFFAOYSA-N 0 1 287.294 2.828 20 30 CFEDMN COc1ccc(C=NNc2ccc(F)cn2)cc1OC ZINC000731319860 574116670 /nfs/dbraw/zinc/11/66/70/574116670.db2.gz ZLPBHMFPOVEAAT-UHFFFAOYSA-N 0 1 275.283 2.684 20 30 CFEDMN Fc1ccc(N=NCc2cnc3ccccc3n2)nc1 ZINC000731319561 574116812 /nfs/dbraw/zinc/11/68/12/574116812.db2.gz ROSBSCWQKOAPPX-UHFFFAOYSA-N 0 1 267.267 2.610 20 30 CFEDMN Cc1cc(=NN=Cc2ccc([C@H]3C[C@@H]3C)o2)nc[nH]1 ZINC000731935831 574135777 /nfs/dbraw/zinc/13/57/77/574135777.db2.gz TZZNCABIHWNNCX-CABZTGNLSA-N 0 1 256.309 2.947 20 30 CFEDMN Cc1cc(N=NC(C)c2ccccc2[N+](=O)[O-])ncn1 ZINC000731935185 574135839 /nfs/dbraw/zinc/13/58/39/574135839.db2.gz PXYFFAVDQFIKCE-UHFFFAOYSA-N 0 1 271.280 2.529 20 30 CFEDMN CC(C)CO[C@@H]1CC(=NNCCN2CCCCC2)C1(C)C ZINC000737430637 574140621 /nfs/dbraw/zinc/14/06/21/574140621.db2.gz WZWVTTWCTUXVGS-MRXNPFEDSA-N 0 1 295.471 2.889 20 30 CFEDMN Fc1ccc(N=NCc2cnc3ccc(Cl)cn23)nc1 ZINC000737432355 574140750 /nfs/dbraw/zinc/14/07/50/574140750.db2.gz YZYGXFMOFSMECL-UHFFFAOYSA-N 0 1 289.701 2.968 20 30 CFEDMN CCCCCC[C@@](C)(NC(=O)C(C)C#N)C(=O)OCC ZINC000746228690 574141157 /nfs/dbraw/zinc/14/11/57/574141157.db2.gz DHTAKWNCKKVZAG-IUODEOHRSA-N 0 1 282.384 2.554 20 30 CFEDMN C#CCOc1ccc(NC(=O)CN2[C@H](C)CC[C@@H]2C)cc1 ZINC000746237526 574141511 /nfs/dbraw/zinc/14/15/11/574141511.db2.gz NYUDFXKHSFWIHC-OKILXGFUSA-N 0 1 286.375 2.510 20 30 CFEDMN CCn1nc(C)c(C=NNc2ccccc2[N+](=O)[O-])c1C ZINC000755465099 574163607 /nfs/dbraw/zinc/16/36/07/574163607.db2.gz FJYKJYWLKRHRSP-UHFFFAOYSA-N 0 1 287.323 2.874 20 30 CFEDMN COc1ccc(CNCc2cnn3ccccc23)cc1C#N ZINC000746743444 574165441 /nfs/dbraw/zinc/16/54/41/574165441.db2.gz XVGOVLYAPWQGLG-UHFFFAOYSA-N 0 1 292.342 2.504 20 30 CFEDMN Cc1ccc(O)c(C=NNc2cc(C)nc(C)n2)c1 ZINC000755649279 574174936 /nfs/dbraw/zinc/17/49/36/574174936.db2.gz VQRZUURXHVBSBB-UHFFFAOYSA-N 0 1 256.309 2.553 20 30 CFEDMN C=CCc1cc(C=NNc2ccccn2)cc(OC)c1O ZINC000747045563 574176911 /nfs/dbraw/zinc/17/69/11/574176911.db2.gz FYQQIHSLQVTISQ-UHFFFAOYSA-N 0 1 283.331 2.970 20 30 CFEDMN CCn1ccnc1C=NNc1cccc(F)c1F ZINC000755751434 574184267 /nfs/dbraw/zinc/18/42/67/574184267.db2.gz XVOAGZFHSBWXTA-UHFFFAOYSA-N 0 1 250.252 2.627 20 30 CFEDMN C=CCN(Cc1ccccc1)C(=O)NCc1cc(CC)[nH]n1 ZINC000739024931 574193666 /nfs/dbraw/zinc/19/36/66/574193666.db2.gz NXLDDSBLEYATPV-UHFFFAOYSA-N 0 1 298.390 2.870 20 30 CFEDMN Cc1nc(CN=Nc2cc(C)ccn2)c2ccccn12 ZINC000755900875 574195497 /nfs/dbraw/zinc/19/54/97/574195497.db2.gz QNISNLZSVRYYQH-UHFFFAOYSA-N 0 1 265.320 2.792 20 30 CFEDMN COc1cccc2c1OCCC2N=Nc1cc(C)ccn1 ZINC000755905405 574195916 /nfs/dbraw/zinc/19/59/16/574195916.db2.gz IOTWPCXTLGVNCE-UHFFFAOYSA-N 0 1 283.331 2.997 20 30 CFEDMN COc1cccc2c1OCCC2=N[N-]c1cc(C)cc[nH+]1 ZINC000755905405 574195918 /nfs/dbraw/zinc/19/59/18/574195918.db2.gz IOTWPCXTLGVNCE-UHFFFAOYSA-N 0 1 283.331 2.997 20 30 CFEDMN C=C(C)CN1C[C@@H](C)N(C(=O)OC(C)(C)C)[C@@H](C)C1 ZINC000733196550 574210244 /nfs/dbraw/zinc/21/02/44/574210244.db2.gz LRMSKWVSCMCYLK-BETUJISGSA-N 0 1 268.401 2.892 20 30 CFEDMN C=CCOc1cccc(CN=Nc2ccnc(N(C)C)n2)c1 ZINC000739414338 574212625 /nfs/dbraw/zinc/21/26/25/574212625.db2.gz XBAPGRSOKFCVMM-UHFFFAOYSA-N 0 1 297.362 2.553 20 30 CFEDMN C=CCN(CC=C)C(=O)[C@@H](C)N1CCc2c(C)cccc2C1 ZINC000729479649 574218537 /nfs/dbraw/zinc/21/85/37/574218537.db2.gz QOTTXXMLBXMRMU-MRXNPFEDSA-N 0 1 298.430 2.942 20 30 CFEDMN C#CCOc1ccccc1CNCc1cc(C#N)cs1 ZINC000748099518 574229350 /nfs/dbraw/zinc/22/93/50/574229350.db2.gz UYXRFGRYZHYLGF-UHFFFAOYSA-N 0 1 282.368 2.922 20 30 CFEDMN C#CCN1CCC[C@@H]1COC(=O)c1ccc(CCC)cc1 ZINC000729812592 574231979 /nfs/dbraw/zinc/23/19/79/574231979.db2.gz XUVJPMZHRTXPOH-QGZVFWFLSA-N 0 1 285.387 2.894 20 30 CFEDMN C#CCN1CCC[C@H]1COC(=O)CCCCCCC ZINC000729808488 574233359 /nfs/dbraw/zinc/23/33/59/574233359.db2.gz CIDHJDAEHRNRDU-HNNXBMFYSA-N 0 1 265.397 2.988 20 30 CFEDMN CC(=[NH+][N-]c1cnccn1)c1ccc(N2CCCC2)cc1O ZINC000748251246 574243480 /nfs/dbraw/zinc/24/34/80/574243480.db2.gz UPNLAZXXDXGBDT-UHFFFAOYSA-N 0 1 297.362 2.619 20 30 CFEDMN C#CCN1CCC[C@@H]1COC(=O)C1(CC(C)C)CCC1 ZINC000756542458 574244926 /nfs/dbraw/zinc/24/49/26/574244926.db2.gz MRFQRLVRLNHHSP-OAHLLOKOSA-N 0 1 277.408 2.844 20 30 CFEDMN C#CCN1CCC[C@H]1COC(=O)/C=C(/C)C(C)(C)C ZINC000756550672 574246238 /nfs/dbraw/zinc/24/62/38/574246238.db2.gz CTXRQHBVIUAHJI-FZDNWWAKSA-N 0 1 263.381 2.620 20 30 CFEDMN C#CCN1CCC[C@@H]1COC(=O)/C=C(/C)C(C)(C)C ZINC000756550676 574246384 /nfs/dbraw/zinc/24/63/84/574246384.db2.gz CTXRQHBVIUAHJI-YBEMTRGBSA-N 0 1 263.381 2.620 20 30 CFEDMN CCC(C)(C)CC(=O)C(C#N)C(=O)NCc1ccccc1 ZINC000745947737 574254504 /nfs/dbraw/zinc/25/45/04/574254504.db2.gz LFDNZINMJZWBGU-AWEZNQCLSA-N 0 1 286.375 2.838 20 30 CFEDMN CC[NH+](CC)Cc1cc(C(C)=NOCCOC)ccc1[O-] ZINC000748789744 574266415 /nfs/dbraw/zinc/26/64/15/574266415.db2.gz YFLGCQDMWQZQAJ-UHFFFAOYSA-N 0 1 294.395 2.621 20 30 CFEDMN Clc1cnccc1N=NCc1ccc(-n2cccn2)cc1 ZINC000756840455 574266809 /nfs/dbraw/zinc/26/68/09/574266809.db2.gz YJBZWRYYJPBKPU-UHFFFAOYSA-N 0 1 297.749 2.789 20 30 CFEDMN CC(C)n1cc(C(C)N=Nc2ccncc2Cl)cn1 ZINC000756840436 574266930 /nfs/dbraw/zinc/26/69/30/574266930.db2.gz XJLPUSREEBYRBR-UHFFFAOYSA-N 0 1 277.759 2.770 20 30 CFEDMN Cc1cc(=O)[nH]c(N=NC[C@H](C)c2ccc(F)cc2)n1 ZINC000756872868 574270288 /nfs/dbraw/zinc/27/02/88/574270288.db2.gz LYNXXHZZDDLFSW-VIFPVBQESA-N 0 1 274.299 2.831 20 30 CFEDMN COC(=O)c1ccc(N=NCc2ccccc2)c(OC)c1 ZINC000756897785 574271348 /nfs/dbraw/zinc/27/13/48/574271348.db2.gz OLWWKTZDDVTLBB-UHFFFAOYSA-N 0 1 284.315 2.928 20 30 CFEDMN COC(=O)c1ccc(NN=C(C)c2ccc[nH]2)c(OC)c1 ZINC000756902261 574272000 /nfs/dbraw/zinc/27/20/00/574272000.db2.gz HMHABTMIYUWKMT-UHFFFAOYSA-N 0 1 287.319 2.646 20 30 CFEDMN COC(=O)c1ccc(N=NC(C)c2ccco2)c(OC)c1 ZINC000756902704 574272076 /nfs/dbraw/zinc/27/20/76/574272076.db2.gz WNEKOPWFIRSWQB-UHFFFAOYSA-N 0 1 288.303 2.911 20 30 CFEDMN C#CCN(CC(=O)N(C)[C@@H]1CCCC[C@@H]1C)C1CCCC1 ZINC000756911722 574272563 /nfs/dbraw/zinc/27/25/63/574272563.db2.gz DJZZBUVMANGHJP-DOTOQJQBSA-N 0 1 290.451 2.901 20 30 CFEDMN C=CCN(CC(=O)N(C)Cc1ccc(OC)cc1)C(C)C ZINC000734146046 574274251 /nfs/dbraw/zinc/27/42/51/574274251.db2.gz GIHILZKYZUFGGG-UHFFFAOYSA-N 0 1 290.407 2.550 20 30 CFEDMN Fc1cc(F)c(N=NC2CN3CCC2CC3)cc1F ZINC000734302764 574280800 /nfs/dbraw/zinc/28/08/00/574280800.db2.gz NJOJWRQWFYBXJI-UHFFFAOYSA-N 0 1 269.270 2.597 20 30 CFEDMN Oc1ccc(CN=Nc2cc(F)c(F)cc2F)cc1O ZINC000734302766 574280814 /nfs/dbraw/zinc/28/08/14/574280814.db2.gz NKSKEFRKEHPIHH-UHFFFAOYSA-N 0 1 282.221 2.961 20 30 CFEDMN Cc1n[nH]c(C)c1CN=Nc1cc(F)c(F)cc1F ZINC000734302698 574280882 /nfs/dbraw/zinc/28/08/82/574280882.db2.gz KLUOQFFMKCZHJD-UHFFFAOYSA-N 0 1 268.242 2.890 20 30 CFEDMN CC(C)CON=Cc1ccccc1N1CCOCC1 ZINC000749631676 574303333 /nfs/dbraw/zinc/30/33/33/574303333.db2.gz NZXKCCPCBZAURD-UHFFFAOYSA-N 0 1 262.353 2.530 20 30 CFEDMN CC(=NOCC(C)C)c1ccc(N2CCOCC2)cc1 ZINC000749636466 574303600 /nfs/dbraw/zinc/30/36/00/574303600.db2.gz LKEXDUSBZYODBF-UHFFFAOYSA-N 0 1 276.380 2.920 20 30 CFEDMN C[C@H](C(=O)C(C#N)C(=O)NC1CCCCC1)c1ccco1 ZINC000744026901 574312257 /nfs/dbraw/zinc/31/22/57/574312257.db2.gz BAMNJEOBPYYDSU-WCQYABFASA-N 0 1 288.347 2.541 20 30 CFEDMN N#Cc1cccc(NN=Cc2cc(F)c(O)c(F)c2)c1 ZINC000749857955 574312964 /nfs/dbraw/zinc/31/29/64/574312964.db2.gz HEQIFSDQUJRMGO-UHFFFAOYSA-N 0 1 273.242 2.988 20 30 CFEDMN CN(Cc1cc(Cl)ccc1OCC#N)C[C@H]1CCCO1 ZINC000735309505 574320498 /nfs/dbraw/zinc/32/04/98/574320498.db2.gz GZDCSOCYXWYUHK-CQSZACIVSA-N 0 1 294.782 2.853 20 30 CFEDMN N#Cc1ccc(F)c(CNCc2ccc3c(c2)CCO3)c1 ZINC000742381822 574326815 /nfs/dbraw/zinc/32/68/15/574326815.db2.gz LMZJJVJKJQOLSW-UHFFFAOYSA-N 0 1 282.318 2.922 20 30 CFEDMN C=CCCOCC(=O)[C@@H](C#N)c1nc2cccc(C)c2[nH]1 ZINC000735791484 574335442 /nfs/dbraw/zinc/33/54/42/574335442.db2.gz ZOKDKHPODMEPDI-GFCCVEGCSA-N 0 1 283.331 2.640 20 30 CFEDMN Cc1cccc2nc([C@H](C#N)C(=O)[C@@H]3C[C@H]3C)[nH]c21 ZINC000735793128 574335976 /nfs/dbraw/zinc/33/59/76/574335976.db2.gz QRYCKBYCQOBHHT-GMTAPVOTSA-N 0 1 253.305 2.704 20 30 CFEDMN N#Cc1ccccc1COC(=O)c1c(F)cc(O)cc1F ZINC000735950202 574343607 /nfs/dbraw/zinc/34/36/07/574343607.db2.gz MEUUVYXHWQQCSM-UHFFFAOYSA-N 0 1 289.237 2.899 20 30 CFEDMN Cc1ccnc2[nH]c([C@H](C#N)C(=O)C=Cc3ccco3)nc21 ZINC000750724621 574352821 /nfs/dbraw/zinc/35/28/21/574352821.db2.gz OCILSZQLOSJDBG-ZYOFXKKJSA-N 0 1 292.298 2.749 20 30 CFEDMN Cc1ccc2c(C)cc(=NN=Cc3cnnn3C)[nH]c2c1C ZINC000751133688 574369949 /nfs/dbraw/zinc/36/99/49/574369949.db2.gz FQQJSIDGQNHRII-UHFFFAOYSA-N 0 1 294.362 2.735 20 30 CFEDMN Cc1nc(-c2ccccc2)[nH]c1C(=O)O[C@H](C#N)C1CC1 ZINC000751176642 574370950 /nfs/dbraw/zinc/37/09/50/574370950.db2.gz GRHOLBQTKOMBOH-CYBMUJFWSA-N 0 1 281.315 2.844 20 30 CFEDMN CN1CCc2cc(C=[NH+]Nc3cccc(C(=O)[O-])c3)ccc21 ZINC000752719586 574393882 /nfs/dbraw/zinc/39/38/82/574393882.db2.gz ZLBBQGNUIRPCFL-UHFFFAOYSA-N 0 1 295.342 2.823 20 30 CFEDMN CC(C)Nc1ccc(C(=O)Nc2cc(C#N)ccc2O)cn1 ZINC000752817338 574395489 /nfs/dbraw/zinc/39/54/89/574395489.db2.gz YZFADIWESUHXPR-UHFFFAOYSA-N 0 1 296.330 2.731 20 30 CFEDMN CCC#C[C@@H](C)N1CCc2c(cccc2N2CCOC2=O)C1 ZINC000752854484 574395767 /nfs/dbraw/zinc/39/57/67/574395767.db2.gz GPSOMBCUZKUFKP-CQSZACIVSA-N 0 1 298.386 2.803 20 30 CFEDMN O=C([C@@H]1CCN1C1CCCC1)N(O)Cc1ccc(F)cc1 ZINC000900095376 620637267 /nfs/dbraw/zinc/63/72/67/620637267.db2.gz AVTFSNJNILCZIS-HNNXBMFYSA-N 0 1 292.354 2.560 20 30 CFEDMN N#Cc1ccc(C2=CC[N@@H+](CCCCC(=O)[O-])CC2)cc1 ZINC000821329542 597805299 /nfs/dbraw/zinc/80/52/99/597805299.db2.gz APGLRCKISFSTAF-UHFFFAOYSA-N 0 1 284.359 2.902 20 30 CFEDMN C=C(C)COc1cc(C[N@@H+](C)[C@@H](C)C(=O)[O-])ccc1OC ZINC000819706090 598132285 /nfs/dbraw/zinc/13/22/85/598132285.db2.gz MYKCHCXBIZZYHM-LBPRGKRZSA-N 0 1 293.363 2.555 20 30 CFEDMN C[N@@H+](Cc1cccc(C#N)c1)Cc1cccc(C(=O)[O-])c1 ZINC000061953792 598210553 /nfs/dbraw/zinc/21/05/53/598210553.db2.gz CRVBTZYWOLVEBT-UHFFFAOYSA-N 0 1 280.327 2.888 20 30 CFEDMN CCCC[C@H](C(=O)[O-])[N@@H+](C)Cc1ccc(C#N)cc1 ZINC000829274985 600985570 /nfs/dbraw/zinc/98/55/70/600985570.db2.gz AIDZCRMLFFXOLY-CQSZACIVSA-N 0 1 260.337 2.633 20 30 CFEDMN CCC[N@@H+](C/C=C(/C)C(=O)[O-])Cc1ccc(C#N)cc1 ZINC000829486778 601156436 /nfs/dbraw/zinc/15/64/36/601156436.db2.gz NBFXHQVKQGQOSK-JYRVWZFOSA-N 0 1 272.348 2.801 20 30 CFEDMN N#CCCC[N@@H+]1C[C@H](C2CCCCC2)C[C@@H]1C(=O)[O-] ZINC000833065635 601431924 /nfs/dbraw/zinc/43/19/24/601431924.db2.gz IDZDTCGRULZBEI-ZIAGYGMSSA-N 0 1 264.369 2.646 20 30 CFEDMN C#CC[N@H+](Cc1ccc(C(=O)[O-])c(F)c1)C1CCCC1 ZINC000688845510 601663922 /nfs/dbraw/zinc/66/39/22/601663922.db2.gz ARHRUKDDMXWGQC-UHFFFAOYSA-N 0 1 275.323 2.902 20 30 CFEDMN C=C(C)C[N@H+](C)[C@H](C(=O)[O-])c1cc(F)c(F)c(F)c1 ZINC000825642339 601898155 /nfs/dbraw/zinc/89/81/55/601898155.db2.gz PTDYUOCGGSNJLZ-LBPRGKRZSA-N 0 1 273.254 2.738 20 30 CFEDMN C=CCC[N@H+](C)[C@H](C(=O)[O-])c1cc(F)c(F)c(F)c1 ZINC000825671035 601905796 /nfs/dbraw/zinc/90/57/96/601905796.db2.gz BFLBVGBEDIOCGC-LBPRGKRZSA-N 0 1 273.254 2.738 20 30 CFEDMN CC[C@]1(C)CC[N@H+]([C@H](C(=O)[O-])c2ccc(C#N)cc2)C1 ZINC000829049704 602239626 /nfs/dbraw/zinc/23/96/26/602239626.db2.gz DPTQMORYVMPLSG-GOEBONIOSA-N 0 1 272.348 2.806 20 30 CFEDMN CC(C)C[N@@H+](CCC(=O)[O-])Cc1cc(F)ccc1C#N ZINC000826876075 602325927 /nfs/dbraw/zinc/32/59/27/602325927.db2.gz QEARMKVFDKXDOG-UHFFFAOYSA-N 0 1 278.327 2.630 20 30 CFEDMN C=CCCN1CCC[C@@H](NC(=O)c2nc(Cl)cs2)C1 ZINC001008312442 651146630 /nfs/dbraw/zinc/14/66/30/651146630.db2.gz JXBNVLBVGLBKKV-SNVBAGLBSA-N 0 1 299.827 2.567 20 30 CFEDMN CCC(CC)C[N@@H+](CCC#N)C[C@H]1CCN(C(=O)[O-])C1 ZINC000826571689 603568919 /nfs/dbraw/zinc/56/89/19/603568919.db2.gz LLFJIYKKZUGKHH-CQSZACIVSA-N 0 1 281.400 2.638 20 30 CFEDMN CN(C[C@H]1CCC[N@@H+](CCCC(C)(C)C#N)C1)C(=O)[O-] ZINC000828181859 603993746 /nfs/dbraw/zinc/99/37/46/603993746.db2.gz WQXXSYUEBLBBLV-CYBMUJFWSA-N 0 1 281.400 2.638 20 30 CFEDMN C[C@H](NC(=O)[O-])[C@@H]1CCC[N@@H+](CCCC(C)(C)C#N)C1 ZINC000825263205 604233851 /nfs/dbraw/zinc/23/38/51/604233851.db2.gz FNIZDGNFNOCFMA-QWHCGFSZSA-N 0 1 281.400 2.684 20 30 CFEDMN C=CC[N@@H+](Cc1ccc(O[C@H](C)C(=O)[O-])cc1)C(C)C ZINC000833374366 604551667 /nfs/dbraw/zinc/55/16/67/604551667.db2.gz HMDABEKVBMFRGU-CYBMUJFWSA-N 0 1 277.364 2.935 20 30 CFEDMN C[C@H]1C[N@@H+](Cc2cccc(C(=O)[O-])c2C#N)C(C)(C)C1 ZINC000833629168 604610858 /nfs/dbraw/zinc/61/08/58/604610858.db2.gz FWWVXJBJLWNFBF-LLVKDONJSA-N 0 1 272.348 2.877 20 30 CFEDMN CC1(C)C[N@H+](Cc2cccc(C(=O)[O-])c2C#N)CCS1 ZINC000833561896 604613495 /nfs/dbraw/zinc/61/34/95/604613495.db2.gz XCXSAIMGXGKWFQ-UHFFFAOYSA-N 0 1 290.388 2.584 20 30 CFEDMN CC1(C)C[N@@H+](Cc2cccc(C(=O)[O-])c2C#N)CCS1 ZINC000833561896 604613499 /nfs/dbraw/zinc/61/34/99/604613499.db2.gz XCXSAIMGXGKWFQ-UHFFFAOYSA-N 0 1 290.388 2.584 20 30 CFEDMN C=CCOc1ccc(C[N@@H+](CC)CC(=O)[O-])cc1Cl ZINC000833377674 604629572 /nfs/dbraw/zinc/62/95/72/604629572.db2.gz HZYGCXGZROGWMU-UHFFFAOYSA-N 0 1 283.755 2.811 20 30 CFEDMN C=CCOc1ccccc1C[N@@H+]1CCC[C@H]1CC(=O)[O-] ZINC000833378518 604660255 /nfs/dbraw/zinc/66/02/55/604660255.db2.gz IMXVNGDGNQIADH-AWEZNQCLSA-N 0 1 275.348 2.691 20 30 CFEDMN C[C@@H]1C[N@@H+](Cc2ccccc2C(C)(C)C#N)C[C@H]1C(=O)[O-] ZINC000828464331 604675206 /nfs/dbraw/zinc/67/52/06/604675206.db2.gz UCEGNDPDIBUNKL-TZMCWYRMSA-N 0 1 286.375 2.640 20 30 CFEDMN C#CCCCCC(=O)OC[C@H]1CCN1Cc1ccccc1 ZINC000851467728 634381057 /nfs/dbraw/zinc/38/10/57/634381057.db2.gz CCTZNDOEJCHVNH-QGZVFWFLSA-N 0 1 285.387 2.998 20 30 CFEDMN C[C@H]1CC[N@@H+](Cc2cccc(C(=O)[O-])c2C#N)C[C@H]1C ZINC000833615921 605213194 /nfs/dbraw/zinc/21/31/94/605213194.db2.gz NALOJRSRGPCDIH-NWDGAFQWSA-N 0 1 272.348 2.734 20 30 CFEDMN N#CCCCCC(=O)OC[C@H]1CCN1Cc1ccccc1 ZINC000851470308 634381399 /nfs/dbraw/zinc/38/13/99/634381399.db2.gz OJJUXIPJKZUTFC-MRXNPFEDSA-N 0 1 286.375 2.888 20 30 CFEDMN CCC[N@@H+](CCCCC#N)C1CCN(C(=O)[O-])CC1 ZINC000826912251 605472131 /nfs/dbraw/zinc/47/21/31/605472131.db2.gz UYLRVFVXXDJDHV-UHFFFAOYSA-N 0 1 267.373 2.535 20 30 CFEDMN C#CCCN1CCCN(C(=O)C2(C3CCC3)CCC2)CC1 ZINC000981701790 613001954 /nfs/dbraw/zinc/00/19/54/613001954.db2.gz OUULRJPEHDUHDT-UHFFFAOYSA-N 0 1 288.435 2.514 20 30 CFEDMN C#CCCN1CCCN(C(=O)C2(CC)CCCC2)CC1 ZINC000983453385 613002123 /nfs/dbraw/zinc/00/21/23/613002123.db2.gz JMJNCZMUGFVACY-UHFFFAOYSA-N 0 1 276.424 2.514 20 30 CFEDMN C#CCCN1CC[C@@H](C)[C@@H](NC(=O)C2(F)CCCCC2)C1 ZINC000968506095 613013394 /nfs/dbraw/zinc/01/33/94/613013394.db2.gz RYZUFXCSNKDMOX-CABCVRRESA-N 0 1 294.414 2.509 20 30 CFEDMN C#CCCN1CC[C@@H](C)[C@H](NC(=O)c2cc(C)cs2)C1 ZINC000965999939 613015580 /nfs/dbraw/zinc/01/55/80/613015580.db2.gz IRZDGLDFEJOVOI-ZIAGYGMSSA-N 0 1 290.432 2.520 20 30 CFEDMN C#CCN(C)[C@@H]1CCN(C(=O)C[C@@H](C)C2CCCCC2)C1 ZINC000972537430 613080910 /nfs/dbraw/zinc/08/09/10/613080910.db2.gz SUXSZFAMQKHMHH-NVXWUHKLSA-N 0 1 290.451 2.759 20 30 CFEDMN C#CCN(C)[C@H]1CCN(C(=O)C2CCCCCCC2)C1 ZINC000971915166 613089587 /nfs/dbraw/zinc/08/95/87/613089587.db2.gz RQZDEROYAQXEPK-INIZCTEOSA-N 0 1 276.424 2.513 20 30 CFEDMN C#CCN(C)[C@H]1CCN(C(=O)C[C@H](C)C2CCCCC2)C1 ZINC000972537431 613090608 /nfs/dbraw/zinc/09/06/08/613090608.db2.gz SUXSZFAMQKHMHH-RDJZCZTQSA-N 0 1 290.451 2.759 20 30 CFEDMN C#CCN1CCCC2(CN(C(=O)C3(C)CCCCC3)C2)C1 ZINC000981982395 613140061 /nfs/dbraw/zinc/14/00/61/613140061.db2.gz SQWQKMZOOMRTOO-UHFFFAOYSA-N 0 1 288.435 2.514 20 30 CFEDMN C#CCN1CC[C@@H](NC(=O)c2cc3ccccc3o2)[C@@H](C)C1 ZINC000944632367 613233569 /nfs/dbraw/zinc/23/35/69/613233569.db2.gz BAULMZOKDTWPKL-DZGCQCFKSA-N 0 1 296.370 2.506 20 30 CFEDMN C#CCN1CC[C@@H](NC(=O)c2cc(Cl)cs2)C[C@H]1C ZINC000947774969 613233880 /nfs/dbraw/zinc/23/38/80/613233880.db2.gz JIFPVHZVMWHDSQ-ZYHUDNBSSA-N 0 1 296.823 2.617 20 30 CFEDMN C=C(C)C(C)(C)C(=O)N1CCN(CC2CC(C)C2)CC1 ZINC000949631818 613240996 /nfs/dbraw/zinc/24/09/96/613240996.db2.gz SUMABGHUKCMADK-UHFFFAOYSA-N 0 1 278.440 2.779 20 30 CFEDMN C=C(C)C(C)(C)C(=O)N1CCN(C[C@H](C)CC)CC1 ZINC000949627631 613241149 /nfs/dbraw/zinc/24/11/49/613241149.db2.gz KWCPPPQVFPGIGJ-CQSZACIVSA-N 0 1 266.429 2.779 20 30 CFEDMN C=C(C)CCN1CC(N(CC)C(=O)[C@@H]2CC[C@@H]3C[C@@H]3C2)C1 ZINC000950673098 613244913 /nfs/dbraw/zinc/24/49/13/613244913.db2.gz QYWGYEJATSSMMS-BZUAXINKSA-N 0 1 290.451 2.922 20 30 CFEDMN C#CCN1CC[C@@H](NC(=O)c2sccc2Cl)C[C@H]1C ZINC000947327833 613245477 /nfs/dbraw/zinc/24/54/77/613245477.db2.gz JUJHKGDXBCGPQU-GHMZBOCLSA-N 0 1 296.823 2.617 20 30 CFEDMN C=C(C)CCN1CC(N(CC)C(=O)[C@H]2CC[C@H](F)C2)C1 ZINC000951386389 613245583 /nfs/dbraw/zinc/24/55/83/613245583.db2.gz AERPFHYOCCMTGL-KBPBESRZSA-N 0 1 282.403 2.624 20 30 CFEDMN C=C(C)CCN1CC(N(CC)C(=O)[C@@H]2C[C@H]2C2CC2)C1 ZINC000952441853 613245685 /nfs/dbraw/zinc/24/56/85/613245685.db2.gz LZTSXIOZRUUEJD-JKSUJKDBSA-N 0 1 276.424 2.531 20 30 CFEDMN C=C(C)CCN1CC(N(CC)C(=O)[C@H]2C[C@@H]2C(C)C)C1 ZINC000957059947 613246329 /nfs/dbraw/zinc/24/63/29/613246329.db2.gz WVCSVLXSFUAUSB-CVEARBPZSA-N 0 1 278.440 2.777 20 30 CFEDMN C=C(C)CCN1CCN(C(=O)C2(CC)CCC2)CC1 ZINC000949749482 613256805 /nfs/dbraw/zinc/25/68/05/613256805.db2.gz WSSJSHCHBGJDHQ-UHFFFAOYSA-N 0 1 264.413 2.677 20 30 CFEDMN C=C(C)CCN1CCN(C(=O)[C@@H]2C[C@H]2CC(C)C)CC1 ZINC000950597929 613259903 /nfs/dbraw/zinc/25/99/03/613259903.db2.gz ZUFHYXVBMSACPK-HZPDHXFCSA-N 0 1 278.440 2.779 20 30 CFEDMN C=C(C)CCN1CCN(C(=O)c2ccccc2CC)CC1 ZINC000949915503 613261837 /nfs/dbraw/zinc/26/18/37/613261837.db2.gz SUUCIDMVVSCLMV-UHFFFAOYSA-N 0 1 286.419 2.973 20 30 CFEDMN C#CCN1CC[C@H](NC(=O)c2coc3ccccc23)[C@H](C)C1 ZINC000945941823 613276443 /nfs/dbraw/zinc/27/64/43/613276443.db2.gz HETHDIXWOGMSGB-CJNGLKHVSA-N 0 1 296.370 2.506 20 30 CFEDMN C#CCN1C[C@@H](NC(=O)C2CCCCCCC2)C(C)(C)C1 ZINC000974805835 613280673 /nfs/dbraw/zinc/28/06/73/613280673.db2.gz XVKNKCVNCQJCII-MRXNPFEDSA-N 0 1 290.451 2.807 20 30 CFEDMN C#CCN1C[C@@H](NC(=O)[C@@H]2CCC=CCCC2)C(C)(C)C1 ZINC000974737839 613281593 /nfs/dbraw/zinc/28/15/93/613281593.db2.gz ICPUIBBCOFBXAC-HZPDHXFCSA-N 0 1 288.435 2.583 20 30 CFEDMN C#CCN1C[C@H](NC(=O)[C@H]2CCCC(C)(C)C2)C(C)(C)C1 ZINC000977655004 613299232 /nfs/dbraw/zinc/29/92/32/613299232.db2.gz USUKUGJCTPYDNJ-GJZGRUSLSA-N 0 1 290.451 2.663 20 30 CFEDMN C=C(C)CN1CCCN(C(=O)C(C)(C)C2CCC2)CC1 ZINC000981699732 613307650 /nfs/dbraw/zinc/30/76/50/613307650.db2.gz FDUMESKVAWCNGO-UHFFFAOYSA-N 0 1 278.440 2.923 20 30 CFEDMN C=C(C)CN1CCCN(C(=O)[C@@H]2CC[C@@H]3C[C@@H]3C2)CC1 ZINC000981500553 613309408 /nfs/dbraw/zinc/30/94/08/613309408.db2.gz WPSLRVMKPQGZCR-BZUAXINKSA-N 0 1 276.424 2.533 20 30 CFEDMN C=C(C)CN1CCCN(C(=O)[C@H](C)C(C)(C)C)CC1 ZINC000981450859 613310244 /nfs/dbraw/zinc/31/02/44/613310244.db2.gz NAOISAGKMXXEPQ-AWEZNQCLSA-N 0 1 266.429 2.779 20 30 CFEDMN C=C(C)CN1CCCN(C(=O)[C@H]2CCC[C@H](C)C2)CC1 ZINC000981844378 613310656 /nfs/dbraw/zinc/31/06/56/613310656.db2.gz CUFCYQJWAKSLPD-HOTGVXAUSA-N 0 1 278.440 2.923 20 30 CFEDMN C=C(C)CN1CCCN(C(=O)[C@@H]2CC[C@@H]3C[C@@H]3CC2)CC1 ZINC000981667874 613311211 /nfs/dbraw/zinc/31/12/11/613311211.db2.gz ZSVGGKFHOMFQHA-OSYLJGHBSA-N 0 1 290.451 2.923 20 30 CFEDMN C=C(C)CN1CCCN(C(=O)[C@H]2C[C@@]2(C)CC)CC1 ZINC000983411766 613311435 /nfs/dbraw/zinc/31/14/35/613311435.db2.gz NGEQQJDPNLZWPC-GDBMZVCRSA-N 0 1 264.413 2.533 20 30 CFEDMN C=C(C)CN1CCCN(C(=O)c2cc[nH]c2C2CC2)CC1 ZINC000981834537 613312038 /nfs/dbraw/zinc/31/20/38/613312038.db2.gz HKIXGNYPDIBWKA-UHFFFAOYSA-N 0 1 287.407 2.616 20 30 CFEDMN C=C(C)CN1CCCN(C(=O)c2sccc2C)CC1 ZINC000980627825 613313722 /nfs/dbraw/zinc/31/37/22/613313722.db2.gz PGINGROCYQAFSY-UHFFFAOYSA-N 0 1 278.421 2.781 20 30 CFEDMN C=C(C)CN1CCCN(C(=O)c2occc2CC)CC1 ZINC000981890436 613313950 /nfs/dbraw/zinc/31/39/50/613313950.db2.gz YAQWSOXGBAJMII-UHFFFAOYSA-N 0 1 276.380 2.566 20 30 CFEDMN C=C(C)CN1CC[C@@H](C)[C@@H](NC(=O)c2occc2C)C1 ZINC000965176322 613324803 /nfs/dbraw/zinc/32/48/03/613324803.db2.gz IZEONEPAJFFALC-OCCSQVGLSA-N 0 1 276.380 2.604 20 30 CFEDMN C=C(C)CN1CC[C@H](C)[C@@H](NC(=O)c2c(C)coc2C)C1 ZINC000965984450 613332746 /nfs/dbraw/zinc/33/27/46/613332746.db2.gz DOLBJPBFUCIIAY-WFASDCNBSA-N 0 1 290.407 2.913 20 30 CFEDMN C=C(C)CN1CC[C@H](C)[C@H](NC(=O)c2ccoc2Cl)C1 ZINC000965931616 613334353 /nfs/dbraw/zinc/33/43/53/613334353.db2.gz MZIMDOGLIXVKCJ-WCQYABFASA-N 0 1 296.798 2.949 20 30 CFEDMN C=C(C)CN1C[C@@H](NC(=O)c2ccsc2)C(C)(C)C1 ZINC000972793204 613338381 /nfs/dbraw/zinc/33/83/81/613338381.db2.gz DOQSRFXNXFBBHC-CYBMUJFWSA-N 0 1 278.421 2.764 20 30 CFEDMN C=C(C)CN1C[C@H](NC(=O)c2sccc2F)C(C)(C)C1 ZINC000974554543 613342562 /nfs/dbraw/zinc/34/25/62/613342562.db2.gz URNBSSNLTSEJDF-LBPRGKRZSA-N 0 1 296.411 2.904 20 30 CFEDMN C=C1CCC(C(=O)N2CCN(CC3CCC3)CC2)CC1 ZINC000950047004 613404711 /nfs/dbraw/zinc/40/47/11/613404711.db2.gz NYKRSPLULUIYFU-UHFFFAOYSA-N 0 1 276.424 2.677 20 30 CFEDMN C=CCCN1CCN(C(=O)C2(C)C(C)(C)C2(C)C)CC1 ZINC000957942513 613502161 /nfs/dbraw/zinc/50/21/61/613502161.db2.gz PSYIUJLMTBZOPI-UHFFFAOYSA-N 0 1 278.440 2.779 20 30 CFEDMN C=C[C@](C)(CC)C(=O)N1CCN(CCC2CC2)CC1 ZINC000950051930 613502324 /nfs/dbraw/zinc/50/23/24/613502324.db2.gz ZUFHHGNTDACGRF-MRXNPFEDSA-N 0 1 264.413 2.533 20 30 CFEDMN C=CCCN1CCN(C(=O)[C@@H](C)C2CCCC2)CC1 ZINC000957284461 613505233 /nfs/dbraw/zinc/50/52/33/613505233.db2.gz UEGRXJQDPIWKEK-AWEZNQCLSA-N 0 1 264.413 2.533 20 30 CFEDMN C=CCCN1CCN(C(=O)[C@@H]2CCCC(F)(F)C2)CC1 ZINC000950446738 613505776 /nfs/dbraw/zinc/50/57/76/613505776.db2.gz FGVUVYNVVVMDIL-CYBMUJFWSA-N 0 1 286.366 2.532 20 30 CFEDMN C=CCCN1CCN(C(=O)[C@H]2CCCCC2(F)F)CC1 ZINC000949477607 613507347 /nfs/dbraw/zinc/50/73/47/613507347.db2.gz SWIJFVJEEQXPJE-CYBMUJFWSA-N 0 1 286.366 2.532 20 30 CFEDMN C=CCCN1CCN(C(=O)[C@H]2CCC[C@H]2CCC)CC1 ZINC000948993254 613508563 /nfs/dbraw/zinc/50/85/63/613508563.db2.gz VYGKFBRSWLSTGR-CVEARBPZSA-N 0 1 278.440 2.923 20 30 CFEDMN C=CCCN1CCN(C(=O)[C@H]2C[C@H]2C2CCCC2)CC1 ZINC000956965552 613509161 /nfs/dbraw/zinc/50/91/61/613509161.db2.gz VRNOYJIRJQWODN-HOTGVXAUSA-N 0 1 276.424 2.533 20 30 CFEDMN C=CCCN1CCN(C(=O)c2ccc(Cl)c(C)c2)CC1 ZINC000950000174 613510208 /nfs/dbraw/zinc/51/02/08/613510208.db2.gz BACVITCCUZNPFS-UHFFFAOYSA-N 0 1 292.810 2.982 20 30 CFEDMN C=CCCN1CCN(C(=O)c2ccc(C)cc2C)CC1 ZINC000957523108 613510406 /nfs/dbraw/zinc/51/04/06/613510406.db2.gz NJYXDISQCSANNP-UHFFFAOYSA-N 0 1 272.392 2.637 20 30 CFEDMN C=CCCN1CCN(C(=O)c2cccc3ccncc32)CC1 ZINC000957034443 613510745 /nfs/dbraw/zinc/51/07/45/613510745.db2.gz HSGLWZSYWSLNQF-UHFFFAOYSA-N 0 1 295.386 2.569 20 30 CFEDMN C=CCCN1CCN(C(=O)c2ccc3ccn(C)c3c2)CC1 ZINC000957072331 613510793 /nfs/dbraw/zinc/51/07/93/613510793.db2.gz NBAVMGUDXWXRGJ-UHFFFAOYSA-N 0 1 297.402 2.512 20 30 CFEDMN CC#CCN1CC([C@H](C)NC(=O)c2ccc(C(C)C)cc2)C1 ZINC000970786618 613538255 /nfs/dbraw/zinc/53/82/55/613538255.db2.gz ROTNFVKLRJYJPC-HNNXBMFYSA-N 0 1 298.430 2.883 20 30 CFEDMN CC#CCN1CC[C@@H](C)[C@@H](NC(=O)C(C)(C)C2CCC2)C1 ZINC000967492530 613571477 /nfs/dbraw/zinc/57/14/77/613571477.db2.gz CMCUCAFAAZIIQY-ZBFHGGJFSA-N 0 1 290.451 2.663 20 30 CFEDMN CC#CCN1CC[C@@H](C)[C@H](NC(=O)C2(C)CCCCC2)C1 ZINC000968191573 613574248 /nfs/dbraw/zinc/57/42/48/613574248.db2.gz OACAQWAMYAVKPO-HZPDHXFCSA-N 0 1 290.451 2.807 20 30 CFEDMN CC#CCN1CC[C@@H](C)[C@H](NC(=O)C2CCCCCC2)C1 ZINC000965479700 613574598 /nfs/dbraw/zinc/57/45/98/613574598.db2.gz WDUPWFODWGYNBL-NVXWUHKLSA-N 0 1 290.451 2.807 20 30 CFEDMN CC#CCN1CC[C@@H](C)[C@H](NC(=O)[C@H]2CC[C@H](C)CC2)C1 ZINC000968566618 613575154 /nfs/dbraw/zinc/57/51/54/613575154.db2.gz VJNOYJBNYRIZSY-QBPKDAKJSA-N 0 1 290.451 2.663 20 30 CFEDMN CC#CCN1CC[C@H](C)[C@@H](NC(=O)c2c(C)cccc2C)C1 ZINC000968345982 613591342 /nfs/dbraw/zinc/59/13/42/613591342.db2.gz QIPGYQPGFYSFIN-YOEHRIQHSA-N 0 1 298.430 2.767 20 30 CFEDMN CC#CCN1CC[C@H](C)[C@H](NC(=O)c2cc(C)ccc2C)C1 ZINC000968588007 613594016 /nfs/dbraw/zinc/59/40/16/613594016.db2.gz JAAXFQUFSNLIIN-FUHWJXTLSA-N 0 1 298.430 2.767 20 30 CFEDMN CC#CCN1CC[C@H](C)[C@H](NC(=O)c2ccc(CC)cc2)C1 ZINC000968606303 613594501 /nfs/dbraw/zinc/59/45/01/613594501.db2.gz GQYWLBHANYYQCQ-MAUKXSAKSA-N 0 1 298.430 2.713 20 30 CFEDMN CC#CCN1C[C@@H](NC(=O)C[C@@H]2CC=CCC2)C(C)(C)C1 ZINC000974914162 613608241 /nfs/dbraw/zinc/60/82/41/613608241.db2.gz GGIYFEXOBUDCMX-HZPDHXFCSA-N 0 1 288.435 2.583 20 30 CFEDMN CC#CCN1C[C@@H](NC(=O)[C@@H]2CCC(C)(C)C2)C(C)(C)C1 ZINC000975013327 613609130 /nfs/dbraw/zinc/60/91/30/613609130.db2.gz ALMFJYFZHAAMHP-HUUCEWRRSA-N 0 1 290.451 2.663 20 30 CFEDMN CC#CCN1C[C@@H](NC(=O)c2cccc(C)c2C)C(C)(C)C1 ZINC000977578719 613610944 /nfs/dbraw/zinc/61/09/44/613610944.db2.gz WIXRKUDPQPLOKD-QGZVFWFLSA-N 0 1 298.430 2.767 20 30 CFEDMN CC#CCN1C[C@H](NC(=O)C(C)=C2CCCC2)C(C)(C)C1 ZINC000973023640 613620263 /nfs/dbraw/zinc/62/02/63/613620263.db2.gz ZDHWEOYWBBLHRC-INIZCTEOSA-N 0 1 288.435 2.727 20 30 CFEDMN CC#CCN1C[C@H](NC(=O)c2ccccc2CC)C(C)(C)C1 ZINC000974961348 613623034 /nfs/dbraw/zinc/62/30/34/613623034.db2.gz IQZQGGYHCHZRLG-KRWDZBQOSA-N 0 1 298.430 2.713 20 30 CFEDMN C=CCN1CC([C@@H](C)NC(=O)c2cc(F)ccc2Cl)C1 ZINC000970485138 613664719 /nfs/dbraw/zinc/66/47/19/613664719.db2.gz DCEKGBZDDVFARW-SNVBAGLBSA-N 0 1 296.773 2.715 20 30 CFEDMN C=CCN1CC([C@@H](C)NC(=O)c2ccccc2C2(C)CC2)C1 ZINC000970415260 613666114 /nfs/dbraw/zinc/66/61/14/613666114.db2.gz UHLYQCUMHVSYST-CQSZACIVSA-N 0 1 298.430 2.974 20 30 CFEDMN C=CCN1CC([C@@H](C)NC(=O)c2sccc2C2CC2)C1 ZINC000970842377 613668083 /nfs/dbraw/zinc/66/80/83/613668083.db2.gz BLYNBYQFXHIEMB-LLVKDONJSA-N 0 1 290.432 2.862 20 30 CFEDMN C=CCN1CC([C@H](C)NC(=O)[C@H]2CC[C@H](CC)CC2)C1 ZINC000970770929 613668870 /nfs/dbraw/zinc/66/88/70/613668870.db2.gz HUBFKFLLXUFJKO-KKUMJFAQSA-N 0 1 278.440 2.825 20 30 CFEDMN C=CCN1CC([C@H](C)NC(=O)[C@H]2CCCc3ccccc32)C1 ZINC000969960402 613669604 /nfs/dbraw/zinc/66/96/04/613669604.db2.gz FAIMGMIGDZLQFN-KSSFIOAISA-N 0 1 298.430 2.729 20 30 CFEDMN C=CCN1CC([C@H](C)NC(=O)c2cc3ccccc3o2)C1 ZINC000970841914 613671163 /nfs/dbraw/zinc/67/11/63/613671163.db2.gz RPDDPSVCTFOZGZ-LBPRGKRZSA-N 0 1 284.359 2.669 20 30 CFEDMN C=CCN1CC([C@H](C)NC(=O)c2cnc(C(C)C)s2)C1 ZINC000970998304 613673198 /nfs/dbraw/zinc/67/31/98/613673198.db2.gz DMMBZOIBGKQWRH-NSHDSACASA-N 0 1 293.436 2.503 20 30 CFEDMN C=CCN1CC([C@H](C)NC(=O)c2sccc2CC)C1 ZINC000970921040 613674337 /nfs/dbraw/zinc/67/43/37/613674337.db2.gz OPDAMZMXCBGTEN-NSHDSACASA-N 0 1 278.421 2.547 20 30 CFEDMN C=CCN1CCCN(C(=O)C(C2CCC2)C2CCC2)CC1 ZINC000981833905 613688643 /nfs/dbraw/zinc/68/86/43/613688643.db2.gz MZXNHKRRZCCXKL-UHFFFAOYSA-N 0 1 290.451 2.923 20 30 CFEDMN C=CCN1CCCN(C(=O)C2(C3CCC3)CCC2)CC1 ZINC000981701180 613688706 /nfs/dbraw/zinc/68/87/06/613688706.db2.gz FOPLKXQAKGOKFB-UHFFFAOYSA-N 0 1 276.424 2.677 20 30 CFEDMN C=CCN1CCCN(C(=O)[C@@H](C)c2ccccc2F)CC1 ZINC000982265877 613690874 /nfs/dbraw/zinc/69/08/74/613690874.db2.gz LNFVCEYQNFKMPL-AWEZNQCLSA-N 0 1 290.382 2.650 20 30 CFEDMN C=CCN1CCCN(C(=O)[C@@H]2CCc3ccccc3C2)CC1 ZINC000982033206 613692363 /nfs/dbraw/zinc/69/23/63/613692363.db2.gz HCZUAJPUSVXUHV-GOSISDBHSA-N 0 1 298.430 2.512 20 30 CFEDMN C=CCN1CCCN(C(=O)[C@H]2CC[C@@H]3C[C@@H]3CC2)CC1 ZINC000981667369 613692800 /nfs/dbraw/zinc/69/28/00/613692800.db2.gz QGFYJGLECFDPCU-MUJYYYPQSA-N 0 1 276.424 2.533 20 30 CFEDMN C=CCN1CCCN(C(=O)[C@H]2CCC(C)=C(C)C2)CC1 ZINC000981233490 613693807 /nfs/dbraw/zinc/69/38/07/613693807.db2.gz SIBFMGLGTOUDGD-INIZCTEOSA-N 0 1 276.424 2.843 20 30 CFEDMN C=CCN1CCCN(C(=O)c2cccc(C)c2Cl)CC1 ZINC000982275054 613698453 /nfs/dbraw/zinc/69/84/53/613698453.db2.gz CVZLLJZYXHVSFE-UHFFFAOYSA-N 0 1 292.810 2.982 20 30 CFEDMN C=CCN1CC[C@@H](C)[C@@H](NC(=O)c2ccc(C)c(F)c2)C1 ZINC000967279697 613730042 /nfs/dbraw/zinc/73/00/42/613730042.db2.gz PNRQBOMILUDANR-CJNGLKHVSA-N 0 1 290.382 2.760 20 30 CFEDMN C=CCN1CC[C@@H](C)[C@H](NC(=O)C2CCCCC2)C1 ZINC000964681167 613732692 /nfs/dbraw/zinc/73/26/92/613732692.db2.gz BGEPPWPETNCQPI-UKRRQHHQSA-N 0 1 264.413 2.579 20 30 CFEDMN C=CCN1CC[C@@H](C)[C@H](NC(=O)Cc2cccc(C)c2)C1 ZINC000968052904 613732714 /nfs/dbraw/zinc/73/27/14/613732714.db2.gz BYKOUWRWIKADDB-NVXWUHKLSA-N 0 1 286.419 2.550 20 30 CFEDMN C=CCN1CC[C@@H](C)[C@H](NC(=O)c2c[nH]c3ccccc23)C1 ZINC000967275122 613733629 /nfs/dbraw/zinc/73/36/29/613733629.db2.gz UPOHHXMZLYJKAP-CXAGYDPISA-N 0 1 297.402 2.794 20 30 CFEDMN C=CCN1CC[C@@H](C)[C@H](NC(=O)c2ccc(C)cc2)C1 ZINC000968583078 613734539 /nfs/dbraw/zinc/73/45/39/613734539.db2.gz JKEGQRFYKAEWBA-GDBMZVCRSA-N 0 1 272.392 2.621 20 30 CFEDMN C=CCN1CC[C@@H](C)[C@H](NC(=O)c2cccc(F)c2C)C1 ZINC000966240862 613735124 /nfs/dbraw/zinc/73/51/24/613735124.db2.gz ZNJLNCLFAUXDDS-MLGOLLRUSA-N 0 1 290.382 2.760 20 30 CFEDMN C=CCN1CC[C@H](C)[C@@H](NC(=O)C2CC3(CCC3)C2)C1 ZINC000967707076 613767082 /nfs/dbraw/zinc/76/70/82/613767082.db2.gz CHMSRZMJWABBEV-ZFWWWQNUSA-N 0 1 276.424 2.579 20 30 CFEDMN C=CCN1CC[C@H](C)[C@@H](NC(=O)c2cc(C)c(C)s2)C1 ZINC000968627024 613768856 /nfs/dbraw/zinc/76/88/56/613768856.db2.gz GHXDNIJFEFTXFM-FZMZJTMJSA-N 0 1 292.448 2.991 20 30 CFEDMN C=CCN1CC[C@H](C)[C@@H](NC(=O)c2ccccc2CC)C1 ZINC000968036096 613769797 /nfs/dbraw/zinc/76/97/97/613769797.db2.gz QJYHWPSGFMIBNB-YOEHRIQHSA-N 0 1 286.419 2.875 20 30 CFEDMN C=CCN1CC[C@H](C)[C@H](NC(=O)Cc2cccc(C)c2)C1 ZINC000968052902 613771511 /nfs/dbraw/zinc/77/15/11/613771511.db2.gz BYKOUWRWIKADDB-DOTOQJQBSA-N 0 1 286.419 2.550 20 30 CFEDMN C=CCN1CC[C@H](C)[C@H](NC(=O)c2ccc(F)cc2C)C1 ZINC000968569065 613773756 /nfs/dbraw/zinc/77/37/56/613773756.db2.gz HDVWNXQBANQDAI-BLLLJJGKSA-N 0 1 290.382 2.760 20 30 CFEDMN C=CCN1CC[C@H](C)[C@H](NC(=O)c2oc(CC)cc2C)C1 ZINC000968549820 613775384 /nfs/dbraw/zinc/77/53/84/613775384.db2.gz YLYSUPVAEPXONK-SWLSCSKDSA-N 0 1 290.407 2.777 20 30 CFEDMN C=CCN1C[C@@H](NC(=O)C2(c3ccccc3)CC2)C(C)(C)C1 ZINC000977557177 613805896 /nfs/dbraw/zinc/80/58/96/613805896.db2.gz LQAPSZRUXNUILA-MRXNPFEDSA-N 0 1 298.430 2.731 20 30 CFEDMN C=CCN1C[C@@H](NC(=O)[C@@H]2C[C@H]2c2ccccc2)C(C)(C)C1 ZINC000977490447 613807731 /nfs/dbraw/zinc/80/77/31/613807731.db2.gz ACHREYAXAFAZOG-GVDBMIGSSA-N 0 1 298.430 2.803 20 30 CFEDMN C=CCN1C[C@@H](NC(=O)c2cc(C)cc(C)c2)C(C)(C)C1 ZINC000977550578 613809452 /nfs/dbraw/zinc/80/94/52/613809452.db2.gz WYOGBYXFDOBFJP-MRXNPFEDSA-N 0 1 286.419 2.930 20 30 CFEDMN C=CCN1C[C@@H](NC(=O)c2cccc3cc[nH]c32)C(C)(C)C1 ZINC000975064481 613810726 /nfs/dbraw/zinc/81/07/26/613810726.db2.gz NYFZOLAKOVHQDA-OAHLLOKOSA-N 0 1 297.402 2.794 20 30 CFEDMN CC(=O)NC[C@H]1CCCCCN1Cc1ccc(C#N)s1 ZINC000968716362 613822196 /nfs/dbraw/zinc/82/21/96/613822196.db2.gz ULPQGRPBAAPTKW-CYBMUJFWSA-N 0 1 291.420 2.500 20 30 CFEDMN C=CCN1C[C@H](NC(=O)C2(C)CCCCC2)C(C)(C)C1 ZINC000974991862 613826308 /nfs/dbraw/zinc/82/63/08/613826308.db2.gz FVAZGTOBUCYNTK-AWEZNQCLSA-N 0 1 278.440 2.969 20 30 CFEDMN C=CCN1C[C@H](NC(=O)[C@H]2CCCC3(CC3)C2)C(C)(C)C1 ZINC000974593976 613828082 /nfs/dbraw/zinc/82/80/82/613828082.db2.gz PZDJOVPYMSJUGF-GJZGRUSLSA-N 0 1 290.451 2.969 20 30 CFEDMN C=CCN1C[C@H](NC(=O)c2occc2Cl)C(C)(C)C1 ZINC000975000665 613830079 /nfs/dbraw/zinc/83/00/79/613830079.db2.gz JMJHBRBSWDIORT-NSHDSACASA-N 0 1 282.771 2.559 20 30 CFEDMN C=CC[C@H]1CCN1[C@H](C(=O)OC(C)(C)C)C1CC1 ZINC000934463461 618042021 /nfs/dbraw/zinc/04/20/21/618042021.db2.gz WIFNSNNJSKIAKV-STQMWFEESA-N 0 1 251.370 2.757 20 30 CFEDMN C=CC[C@H]1CCN1C(=O)c1ccc(CN(CC)CC)o1 ZINC000890560737 617653551 /nfs/dbraw/zinc/65/35/51/617653551.db2.gz MAWFKWOXNDXFLU-ZDUSSCGKSA-N 0 1 276.380 2.912 20 30 CFEDMN CCOC(=O)CC1CCN(Cc2csc(C#N)c2)CC1 ZINC000891646087 617695163 /nfs/dbraw/zinc/69/51/63/617695163.db2.gz OIYPZDGVYCPIRY-UHFFFAOYSA-N 0 1 292.404 2.785 20 30 CFEDMN C#C[C@@H]1CCCCN1C(=O)c1cc(-c2ccc(F)cc2)[nH]n1 ZINC000890647350 617732360 /nfs/dbraw/zinc/73/23/60/617732360.db2.gz FVDGTPBCCUKVAH-CQSZACIVSA-N 0 1 297.333 2.844 20 30 CFEDMN N#CC1CCN(Cc2nccc3c2CCCC3)CC1 ZINC000891852025 617787166 /nfs/dbraw/zinc/78/71/66/617787166.db2.gz GZBXLCUNCRTIJV-UHFFFAOYSA-N 0 1 255.365 2.696 20 30 CFEDMN C=C1CCN(Cc2ccccc2O[C@@H](C)C(=O)OC)CC1 ZINC000891944062 617842251 /nfs/dbraw/zinc/84/22/51/617842251.db2.gz XAVFENBDVHIICO-AWEZNQCLSA-N 0 1 289.375 2.779 20 30 CFEDMN CCOC[C@H]1CCCN(Cc2csc(C#N)c2)C1 ZINC000892048522 617926567 /nfs/dbraw/zinc/92/65/67/617926567.db2.gz LZFAZEVPDGYNNN-LBPRGKRZSA-N 0 1 264.394 2.868 20 30 CFEDMN Cn1nc2c(c1CN=Nc1cc(F)c(F)cc1F)CCC2 ZINC000901196032 620763058 /nfs/dbraw/zinc/76/30/58/620763058.db2.gz KFGXQHHZWGZLRW-UHFFFAOYSA-N 0 1 294.280 2.772 20 30 CFEDMN Cc1ccnc(NN=Cc2ccnn2C2CCC2)c1 ZINC000901198690 620763643 /nfs/dbraw/zinc/76/36/43/620763643.db2.gz OCFMYWRHGIGVSP-UHFFFAOYSA-N 0 1 255.325 2.758 20 30 CFEDMN Cn1cc(C=NNc2cc(Cl)ccn2)c(C2CC2)n1 ZINC000901215578 620766317 /nfs/dbraw/zinc/76/63/17/620766317.db2.gz QOBQGCQDOMHTRK-UHFFFAOYSA-N 0 1 275.743 2.792 20 30 CFEDMN C=C[C@@](C)(CC)C(=O)NOCCOc1ccccc1 ZINC000889446666 617975285 /nfs/dbraw/zinc/97/52/85/617975285.db2.gz PNGNETYYEFLCNL-HNNXBMFYSA-N 0 1 263.337 2.716 20 30 CFEDMN C#C[C@H](NC(=O)[C@@H](c1ccccc1)N(C)CC)C(C)(C)C ZINC000807884713 617977156 /nfs/dbraw/zinc/97/71/56/617977156.db2.gz VFPJXKPYVYNSAY-JKSUJKDBSA-N 0 1 286.419 2.844 20 30 CFEDMN Cc1cccnc1N=NCc1ccnn1C1CCC1 ZINC000901233545 620768424 /nfs/dbraw/zinc/76/84/24/620768424.db2.gz KXPBRLZMBFFLDU-UHFFFAOYSA-N 0 1 255.325 2.758 20 30 CFEDMN Cn1c2ccccc2nc1C(C#N)C(=O)C1(C)CC1 ZINC000161171504 618006731 /nfs/dbraw/zinc/00/67/31/618006731.db2.gz JQYVYKXXFYKLEC-SNVBAGLBSA-N 0 1 253.305 2.550 20 30 CFEDMN C[C@H]1CCN(Cc2csc(C#N)c2)C[C@@H]1n1ccnc1 ZINC000892223411 618011840 /nfs/dbraw/zinc/01/18/40/618011840.db2.gz IKSMRYRJPIVNAQ-WFASDCNBSA-N 0 1 286.404 2.899 20 30 CFEDMN CC[C@@H](C)CON=Cc1[nH]c(C)nc1Br ZINC000901245653 620771001 /nfs/dbraw/zinc/77/10/01/620771001.db2.gz FOPPVGIMWQREDE-SSDOTTSWSA-N 0 1 274.162 2.877 20 30 CFEDMN C=CC[C@H]1CCN1[C@H]1CCN(C2CCCCC2)C1=O ZINC000934459416 618039298 /nfs/dbraw/zinc/03/92/98/618039298.db2.gz JYLWKAVHIINLCQ-ZFWWWQNUSA-N 0 1 262.397 2.570 20 30 CFEDMN C=CC[C@@H]1CCN1CC(=O)NCc1ccc(Cl)cc1 ZINC000934464638 618042881 /nfs/dbraw/zinc/04/28/81/618042881.db2.gz GUSJPBJQSZITDB-CQSZACIVSA-N 0 1 278.783 2.607 20 30 CFEDMN C=CC[C@H]1CCN1[C@@H](C)C(=O)N1CCc2ccccc21 ZINC000934472621 618046742 /nfs/dbraw/zinc/04/67/42/618046742.db2.gz ORNIXLDNWSRXAS-ZFWWWQNUSA-N 0 1 270.376 2.615 20 30 CFEDMN COc1ccc(N=NCc2cnn(CC3CCC3)c2)nc1 ZINC000901227210 620774382 /nfs/dbraw/zinc/77/43/82/620774382.db2.gz JMJWZFQJGJWVLJ-UHFFFAOYSA-N 0 1 285.351 2.533 20 30 CFEDMN Cc1nc(Br)c(C=NN2CCCC[C@@H]2C)[nH]1 ZINC000901261034 620777879 /nfs/dbraw/zinc/77/78/79/620777879.db2.gz BJUGRFXYZLHKBU-QMMMGPOBSA-N 0 1 285.189 2.689 20 30 CFEDMN C[C@H](Sc1ccccn1)C(=O)Nc1cc(C#N)ccc1O ZINC000161538768 618131594 /nfs/dbraw/zinc/13/15/94/618131594.db2.gz GVKNZLZPAMGLGY-JTQLQIEISA-N 0 1 299.355 2.778 20 30 CFEDMN CC(CC(F)(F)F)N=NC1C[C@@H](C)O[C@H](C)C1 ZINC000901303046 620780023 /nfs/dbraw/zinc/78/00/23/620780023.db2.gz MIPNRUKGMGYHDC-RKDXNWHRSA-N 0 1 252.280 2.860 20 30 CFEDMN Oc1c(Cl)cc(Cl)cc1/C=N/[C@@H]1CCOC1 ZINC000178886003 618158833 /nfs/dbraw/zinc/15/88/33/618158833.db2.gz LZGSRAQVXJXVNH-SVOHMGGZSA-N 0 1 260.120 2.907 20 30 CFEDMN C[C@@H]1CC(NN=Cc2ccc(N(C)C)c(F)c2)C[C@@H](C)O1 ZINC000901309782 620781987 /nfs/dbraw/zinc/78/19/87/620781987.db2.gz DFXHOWUYSHDTRB-VXGBXAGGSA-N 0 1 293.386 2.771 20 30 CFEDMN N#CC1(CCC[N@H+]2CCOC[C@H]2CC2CC2)CCOCC1 ZINC000933208441 618170242 /nfs/dbraw/zinc/17/02/42/618170242.db2.gz JELGUEDQELXBOR-MRXNPFEDSA-N 0 1 292.423 2.588 20 30 CFEDMN C=C1CCC(C(=O)N2[C@H](C)CN(C)[C@@H](C)[C@@H]2C)CC1 ZINC000892352720 618177988 /nfs/dbraw/zinc/17/79/88/618177988.db2.gz HPIFWZOKDOBAQG-RDBSUJKOSA-N 0 1 264.413 2.672 20 30 CFEDMN N#Cc1ccc(O)c(NC(=O)CCc2ccsc2)c1 ZINC000176815117 618204827 /nfs/dbraw/zinc/20/48/27/618204827.db2.gz AMTXINPJFOYSNB-UHFFFAOYSA-N 0 1 272.329 2.897 20 30 CFEDMN COc1cc(/C=C\C(=O)c2ccco2)cc([N+](=O)[O-])c1O ZINC000255674340 618258281 /nfs/dbraw/zinc/25/82/81/618258281.db2.gz CJMHCAPCHIAIRN-PLNGDYQASA-N 0 1 289.243 2.798 20 30 CFEDMN C=CC[N@H+](CC(=O)[O-])Cc1cc(Cl)ccc1F ZINC000165692258 618262920 /nfs/dbraw/zinc/26/29/20/618262920.db2.gz VCSLGKIHHIYPIO-UHFFFAOYSA-N 0 1 257.692 2.552 20 30 CFEDMN CC(C)n1cc(C=NNc2cc(F)ccc2F)nn1 ZINC000901320480 620791278 /nfs/dbraw/zinc/79/12/78/620791278.db2.gz PIMAZGUEEWEYIV-UHFFFAOYSA-N 0 1 265.267 2.583 20 30 CFEDMN C=CC1CCN(Cc2c3c(nn2C)CCSC3)CC1 ZINC000894019493 618271814 /nfs/dbraw/zinc/27/18/14/618271814.db2.gz GZGAZSDAOKAUEH-UHFFFAOYSA-N 0 1 277.437 2.607 20 30 CFEDMN C#C[C@H](N[C@H](C)c1sccc1OC)[C@@H]1CCCO1 ZINC000775572272 618279094 /nfs/dbraw/zinc/27/90/94/618279094.db2.gz QLVKLXMDTDVOHR-WOPDTQHZSA-N 0 1 265.378 2.588 20 30 CFEDMN C#C[C@H](N[C@H]1CCCc2sccc21)[C@@H]1CCCO1 ZINC000775574529 618280581 /nfs/dbraw/zinc/28/05/81/618280581.db2.gz PYIQXMZGFGRNSZ-IHRRRGAJSA-N 0 1 261.390 2.896 20 30 CFEDMN C=CCN1CCCC[C@H]1CNC(=O)c1ccc(C)s1 ZINC001024307109 618289368 /nfs/dbraw/zinc/28/93/68/618289368.db2.gz MSWJAUZZLJLVGD-ZDUSSCGKSA-N 0 1 278.421 2.827 20 30 CFEDMN C=C(C)CN1CCCC[C@@H]1CNC(=O)c1ccc(C)o1 ZINC001024310710 618292058 /nfs/dbraw/zinc/29/20/58/618292058.db2.gz OYUJKAZJUDULGO-CQSZACIVSA-N 0 1 276.380 2.748 20 30 CFEDMN CC#CCN1CCCC[C@H]1CNC(=O)c1cccc(C)c1 ZINC001024312598 618292440 /nfs/dbraw/zinc/29/24/40/618292440.db2.gz LNGPESGNTVELHT-KRWDZBQOSA-N 0 1 284.403 2.603 20 30 CFEDMN C=CCN1CCCC[C@H]1CNC(=O)c1ccccc1C ZINC001024313132 618292578 /nfs/dbraw/zinc/29/25/78/618292578.db2.gz YWDRJBFFMFPWJH-HNNXBMFYSA-N 0 1 272.392 2.765 20 30 CFEDMN C=CC[N@@H+]1CCCC[C@@H]1CNC(=O)c1oc(C)cc1C ZINC001024372198 618303209 /nfs/dbraw/zinc/30/32/09/618303209.db2.gz ZATOPDKABBKOTN-CQSZACIVSA-N 0 1 276.380 2.667 20 30 CFEDMN C=CCN1CCCC[C@@H]1CNC(=O)c1oc(C)cc1C ZINC001024372198 618303213 /nfs/dbraw/zinc/30/32/13/618303213.db2.gz ZATOPDKABBKOTN-CQSZACIVSA-N 0 1 276.380 2.667 20 30 CFEDMN N#CC(C(=O)[C@@H]1CCC(F)(F)C1)c1ccccn1 ZINC000310392049 618304001 /nfs/dbraw/zinc/30/40/01/618304001.db2.gz DWJUGSLZAWPWMY-NXEZZACHSA-N 0 1 250.248 2.693 20 30 CFEDMN C=C(C)CN1CCCC[C@H]1CNC(=O)c1csnc1C ZINC001024395500 618307811 /nfs/dbraw/zinc/30/78/11/618307811.db2.gz AZYKIJJFGRGFHX-ZDUSSCGKSA-N 0 1 293.436 2.612 20 30 CFEDMN C=CCN1CCCC[C@@H]1CNC(=O)c1cc(C)cs1 ZINC001024429964 618313588 /nfs/dbraw/zinc/31/35/88/618313588.db2.gz ONVGLIOVWMVWCK-CYBMUJFWSA-N 0 1 278.421 2.827 20 30 CFEDMN C=CCN1CCCC[C@@H]1CNC(=O)c1cccc(C)c1F ZINC001024448727 618317992 /nfs/dbraw/zinc/31/79/92/618317992.db2.gz WQXFGWCVPGAJDF-CQSZACIVSA-N 0 1 290.382 2.904 20 30 CFEDMN COc1ccccc1C(=O)Nc1cc(C#N)ccc1O ZINC000179727745 618343610 /nfs/dbraw/zinc/34/36/10/618343610.db2.gz VPBIGVPZLOYJHH-UHFFFAOYSA-N 0 1 268.272 2.525 20 30 CFEDMN CC[C@@H](C#N)Oc1cccc(CNCc2cn(C)nc2C)c1 ZINC000162512309 618351759 /nfs/dbraw/zinc/35/17/59/618351759.db2.gz LJHPSWQHUMQHLO-INIZCTEOSA-N 0 1 298.390 2.699 20 30 CFEDMN Cc1coc(CN(C)C[C@@H](O)c2cccc(C#N)c2)c1 ZINC000895133134 618357374 /nfs/dbraw/zinc/35/73/74/618357374.db2.gz DEDQEQLKCWRIMJ-MRXNPFEDSA-N 0 1 270.332 2.625 20 30 CFEDMN C#CC[C@H](N[C@@H](C)c1ccnnc1)c1ccccc1 ZINC000925636225 618369168 /nfs/dbraw/zinc/36/91/68/618369168.db2.gz BEPYQLUCNTZCKA-BBRMVZONSA-N 0 1 251.333 2.892 20 30 CFEDMN C=CCN1CCCC[C@@H]1CNC(=O)[C@@H]1C[C@@H]2CCCC[C@H]12 ZINC001024566884 618381099 /nfs/dbraw/zinc/38/10/99/618381099.db2.gz ZDISVULJAAFHNL-VVLHAWIVSA-N 0 1 290.451 2.969 20 30 CFEDMN N#CC(C(=O)C[C@@H]1C[C@H]1C1CC1)C(=O)Nc1ccccc1 ZINC000892494694 618381877 /nfs/dbraw/zinc/38/18/77/618381877.db2.gz HPFZHNCWBJRTKH-AEGPPILISA-N 0 1 282.343 2.770 20 30 CFEDMN C#CCN1CCC(C(=O)N(C)c2ccc(C)cc2C)CC1 ZINC000067210488 618389283 /nfs/dbraw/zinc/38/92/83/618389283.db2.gz ULSCPJIODCVPSB-UHFFFAOYSA-N 0 1 284.403 2.611 20 30 CFEDMN CC(C)NC(=O)C(C#N)C(=O)CC[C@@H]1CCc2ccccc21 ZINC000892502142 618401360 /nfs/dbraw/zinc/40/13/60/618401360.db2.gz WFONIYWEGKIXGX-HOCLYGCPSA-N 0 1 298.386 2.730 20 30 CFEDMN C=CCN1CCCC[C@@H]1CNC(=O)[C@@H]1CCC1(C)C ZINC001024596804 618405828 /nfs/dbraw/zinc/40/58/28/618405828.db2.gz KFZWZFJXAKBLMO-KGLIPLIRSA-N 0 1 264.413 2.579 20 30 CFEDMN C=C(C)CN1CCCC[C@@H]1CNC(=O)c1cocc1C ZINC001024604953 618412617 /nfs/dbraw/zinc/41/26/17/618412617.db2.gz SBPVJJVPLHJTRU-CQSZACIVSA-N 0 1 276.380 2.748 20 30 CFEDMN CC#CCN1CCCC[C@@H]1CNC(=O)[C@@H]1CCC(C)(C)C1 ZINC001024641902 618431123 /nfs/dbraw/zinc/43/11/23/618431123.db2.gz OGQDFDWUNGXWQS-HZPDHXFCSA-N 0 1 290.451 2.807 20 30 CFEDMN C=CCN1CCCC[C@H]1CNC(=O)c1c[nH]cc1C1CC1 ZINC001024739266 618457407 /nfs/dbraw/zinc/45/74/07/618457407.db2.gz ZMJRMSKPTDJHGV-AWEZNQCLSA-N 0 1 287.407 2.662 20 30 CFEDMN C=CC[N@@H+]1CCCC[C@H]1CNC(=O)c1cnoc1C(C)C ZINC001024742995 618461175 /nfs/dbraw/zinc/46/11/75/618461175.db2.gz XROIHMOJRXNAQG-ZDUSSCGKSA-N 0 1 291.395 2.568 20 30 CFEDMN C=CCN1CCCC[C@H]1CNC(=O)c1cnoc1C(C)C ZINC001024742995 618461178 /nfs/dbraw/zinc/46/11/78/618461178.db2.gz XROIHMOJRXNAQG-ZDUSSCGKSA-N 0 1 291.395 2.568 20 30 CFEDMN C#C[C@@H](CC)NCc1cc(Br)cc2c1OCC2 ZINC000162700007 618464027 /nfs/dbraw/zinc/46/40/27/618464027.db2.gz ZHVHLNPRQYMWPS-ZDUSSCGKSA-N 0 1 294.192 2.885 20 30 CFEDMN C=CCN1CCCC[C@@H]1CNC(=O)c1ccc(C)cc1 ZINC001024774281 618467521 /nfs/dbraw/zinc/46/75/21/618467521.db2.gz PTLMIDAMVZDHLY-MRXNPFEDSA-N 0 1 272.392 2.765 20 30 CFEDMN N#C[C@H](C(=O)C[C@H]1CCCOC1)c1cnc2ccccc2n1 ZINC000193734348 618468851 /nfs/dbraw/zinc/46/88/51/618468851.db2.gz VDPQUJUHKPBWBW-OLZOCXBDSA-N 0 1 295.342 2.623 20 30 CFEDMN C=CCN1CCCC[C@@H]1CNC(=O)c1cccn1C(C)C ZINC001024804504 618475152 /nfs/dbraw/zinc/47/51/52/618475152.db2.gz TYMYKNNINWXAAQ-OAHLLOKOSA-N 0 1 289.423 2.839 20 30 CFEDMN Cc1nc(CN=Nc2ccc(C)cn2)c2ccccn12 ZINC000727259509 618475593 /nfs/dbraw/zinc/47/55/93/618475593.db2.gz HWOLXPDXBDWLNA-UHFFFAOYSA-N 0 1 265.320 2.792 20 30 CFEDMN Cc1ccc([N-]N=Cc2cnc3ccccc3n2)[nH+]c1 ZINC000727260426 618475717 /nfs/dbraw/zinc/47/57/17/618475717.db2.gz VSTATQIYFHSFJL-UHFFFAOYSA-N 0 1 263.304 2.779 20 30 CFEDMN COc1cc(CN=Nc2ccc(C)cn2)ccc1O ZINC000727262922 618478192 /nfs/dbraw/zinc/47/81/92/618478192.db2.gz DIRNTHDPUCCULZ-UHFFFAOYSA-N 0 1 257.293 2.550 20 30 CFEDMN Cc1nc(C2CCN(c3cc(C)cc(C#N)n3)CC2)[nH]c1C ZINC000895225816 618485910 /nfs/dbraw/zinc/48/59/10/618485910.db2.gz IRBPFOFIMIOELJ-UHFFFAOYSA-N 0 1 295.390 2.986 20 30 CFEDMN CCc1nc(C)c(C(C)N=Nc2cncnc2)s1 ZINC000794970752 618495139 /nfs/dbraw/zinc/49/51/39/618495139.db2.gz CYRCSQVERTZTEC-UHFFFAOYSA-N 0 1 261.354 2.640 20 30 CFEDMN CC(C)Oc1cccc(C=NNc2cncnc2)c1 ZINC000794979482 618502775 /nfs/dbraw/zinc/50/27/75/618502775.db2.gz WIMWKIQLZVEMHX-UHFFFAOYSA-N 0 1 256.309 2.710 20 30 CFEDMN C=CCC1(NCc2ncc(C(=O)OC)s2)CCCC1 ZINC000895280611 618506386 /nfs/dbraw/zinc/50/63/86/618506386.db2.gz YOOQBGSBOGZYPA-UHFFFAOYSA-N 0 1 280.393 2.908 20 30 CFEDMN Cc1n[nH]c(CN(C)CCc2cccc(C#N)c2)c1C ZINC000895452080 618594727 /nfs/dbraw/zinc/59/47/27/618594727.db2.gz PUHZAWPOQYXYAS-UHFFFAOYSA-N 0 1 268.364 2.573 20 30 CFEDMN CCCOCC(=O)C(C#N)c1nc(C(C)C)cs1 ZINC000177760226 618605350 /nfs/dbraw/zinc/60/53/50/618605350.db2.gz BUJKOALZDUICPI-SNVBAGLBSA-N 0 1 266.366 2.869 20 30 CFEDMN CN(C)c1ncc(C=NNCCC(C)(C)C)s1 ZINC000782903149 618664462 /nfs/dbraw/zinc/66/44/62/618664462.db2.gz QGGMJARZIUTXHL-UHFFFAOYSA-N 0 1 254.403 2.569 20 30 CFEDMN N#Cc1ccc(N2CC[C@@H](N3CC=CC3)C2)c(Cl)c1 ZINC000892678820 618700894 /nfs/dbraw/zinc/70/08/94/618700894.db2.gz HXIXSFAHWGYORZ-CYBMUJFWSA-N 0 1 273.767 2.662 20 30 CFEDMN CC(C)(C#N)CCN1CCCN(c2ncccc2F)CC1 ZINC000784409460 618775266 /nfs/dbraw/zinc/77/52/66/618775266.db2.gz AEPZIGUVUJPVHO-UHFFFAOYSA-N 0 1 290.386 2.673 20 30 CFEDMN CCO[C@@H]1C[C@H](N[C@@H](CCC#N)c2ccccc2)[C@H]1OC ZINC000893193859 618876221 /nfs/dbraw/zinc/87/62/21/618876221.db2.gz AYWNKUTXLJKKRU-MWDXBVQZSA-N 0 1 288.391 2.813 20 30 CFEDMN CC(=O)OC[C@H](C)N[C@H](CCC#N)c1ccccc1 ZINC000893195046 618876452 /nfs/dbraw/zinc/87/64/52/618876452.db2.gz QVFGWTMELZKPIG-SWLSCSKDSA-N 0 1 260.337 2.573 20 30 CFEDMN COc1ccc(CNCc2cnc(F)c(C)c2)cc1C#N ZINC000893195446 618877748 /nfs/dbraw/zinc/87/77/48/618877748.db2.gz YZIQLJJTJZFYNU-UHFFFAOYSA-N 0 1 285.322 2.699 20 30 CFEDMN CCCCCCCCCN(C)CN1CC(=O)N(C)C1=O ZINC000182273165 618892986 /nfs/dbraw/zinc/89/29/86/618892986.db2.gz HLAVPALGRJCABZ-UHFFFAOYSA-N 0 1 283.416 2.520 20 30 CFEDMN N#C[C@@H]1CC[C@H](NCc2ccc(Br)cn2)C1 ZINC000309545354 618897793 /nfs/dbraw/zinc/89/77/93/618897793.db2.gz HUYIAPLUIKZWOV-KOLCDFICSA-N 0 1 280.169 2.626 20 30 CFEDMN C=CC[C@H](CO)CN[C@@H]1COCc2cccc(Cl)c21 ZINC000925694855 618942809 /nfs/dbraw/zinc/94/28/09/618942809.db2.gz GKNANZKMEODDPN-SMDDNHRTSA-N 0 1 281.783 2.686 20 30 CFEDMN Cc1nnsc1[C@@H](C)N(C)CCc1cccc(C#N)c1 ZINC000931508401 619016121 /nfs/dbraw/zinc/01/61/21/619016121.db2.gz DJDLTFXCKKGTNN-GFCCVEGCSA-N 0 1 286.404 2.954 20 30 CFEDMN CCN(Cc1cncc(C#N)c1)[C@@H](CO)c1ccccc1 ZINC000931701695 619097861 /nfs/dbraw/zinc/09/78/61/619097861.db2.gz YZIAEXSAIMBGKV-KRWDZBQOSA-N 0 1 281.359 2.509 20 30 CFEDMN C=C(C)CN(CC)Cc1c2c(nn1C)CCSC2 ZINC000893876607 619233594 /nfs/dbraw/zinc/23/35/94/619233594.db2.gz BFDNJTLKRXQGNK-UHFFFAOYSA-N 0 1 265.426 2.607 20 30 CFEDMN C=CCN(C(=O)c1n[nH]c(C)c1Br)C(C)C ZINC000726629046 619254001 /nfs/dbraw/zinc/25/40/01/619254001.db2.gz YRBNKCQTEQGELB-UHFFFAOYSA-N 0 1 286.173 2.517 20 30 CFEDMN C=C(C)[C@H]1OCC[C@@H]1CNCc1nnc(C(C)C)s1 ZINC000894221472 619269912 /nfs/dbraw/zinc/26/99/12/619269912.db2.gz QXKNVXIMYPSNDH-DGCLKSJQSA-N 0 1 281.425 2.732 20 30 CFEDMN C[C@@H](CC(C)(C)C#N)NCc1cn2c(n1)CCCC2 ZINC000924912635 619278966 /nfs/dbraw/zinc/27/89/66/619278966.db2.gz DAUFVOJNFVRMGT-LBPRGKRZSA-N 0 1 260.385 2.637 20 30 CFEDMN C#C[C@H](CC)NCc1ccc(C(F)(F)F)nc1N(C)C ZINC000894387008 619362733 /nfs/dbraw/zinc/36/27/33/619362733.db2.gz HGSUBNGDAYOTSY-LLVKDONJSA-N 0 1 285.313 2.668 20 30 CFEDMN C#C[C@@H](N[C@H](C)COCCOC)c1ccc(Cl)cc1 ZINC000894554009 619418209 /nfs/dbraw/zinc/41/82/09/619418209.db2.gz WTFKAUUSAOYGMF-IUODEOHRSA-N 0 1 281.783 2.655 20 30 CFEDMN N#Cc1cc(CN2CC[C@](CO)(c3ccccc3)C2)cs1 ZINC000894572483 619421859 /nfs/dbraw/zinc/42/18/59/619421859.db2.gz JCCQDNUSSBAPPM-KRWDZBQOSA-N 0 1 298.411 2.756 20 30 CFEDMN C#C[C@@H](C)N(C)Cc1ccccc1OCC(F)F ZINC000894574495 619422331 /nfs/dbraw/zinc/42/23/31/619422331.db2.gz UKDJWKDUCQQJQN-LLVKDONJSA-N 0 1 253.292 2.784 20 30 CFEDMN C=CC[C@H](N[C@@H](C)c1ccnnc1)c1ccncc1 ZINC000925075864 619422417 /nfs/dbraw/zinc/42/24/17/619422417.db2.gz SASXZKAHTJVBOG-WFASDCNBSA-N 0 1 254.337 2.840 20 30 CFEDMN CC(C)[C@@]1(CO)CCCN(Cc2csc(C#N)c2)C1 ZINC000894644149 619435050 /nfs/dbraw/zinc/43/50/50/619435050.db2.gz AHBXZSSVZYXVSB-HNNXBMFYSA-N 0 1 278.421 2.850 20 30 CFEDMN C=C(C)CN(Cc1ccc(CO)o1)Cc1n[nH]c(C)c1C ZINC000894749079 619455230 /nfs/dbraw/zinc/45/52/30/619455230.db2.gz UOUYKDHQEBPUSL-UHFFFAOYSA-N 0 1 289.379 2.690 20 30 CFEDMN Cc1coc(CN2CC[C@H](Oc3ccc(C#N)cn3)C2)c1 ZINC000894840702 619480152 /nfs/dbraw/zinc/48/01/52/619480152.db2.gz XJTDHPAWZRWIEJ-AWEZNQCLSA-N 0 1 283.331 2.508 20 30 CFEDMN CN1C[C@H]2CC[C@@H](C1)N2c1nc(C(C)(C)C)ccc1C#N ZINC000894878189 619494161 /nfs/dbraw/zinc/49/41/61/619494161.db2.gz GCGVJEPUDJGKKF-OKILXGFUSA-N 0 1 284.407 2.534 20 30 CFEDMN CC1(C)CC[C@@H](CNCc2cc(C#N)cnc2Cl)OC1 ZINC000895529119 619547671 /nfs/dbraw/zinc/54/76/71/619547671.db2.gz GDQQQEQGEXKWTB-ZDUSSCGKSA-N 0 1 293.798 2.901 20 30 CFEDMN CN(C)c1ccc(C#N)cc1CN1CCC(F)CC1 ZINC000895545075 619551938 /nfs/dbraw/zinc/55/19/38/619551938.db2.gz APMUYBDHMYKEKO-UHFFFAOYSA-N 0 1 261.344 2.558 20 30 CFEDMN C#CC1(NCc2ccc(/C=C\C(=O)OC)o2)CCCC1 ZINC000895676733 619580156 /nfs/dbraw/zinc/58/01/56/619580156.db2.gz CLXOKYIZHIPTIN-HJWRWDBZSA-N 0 1 273.332 2.501 20 30 CFEDMN C#CC1(NCc2nc3ccccc3nc2C)CCCC1 ZINC000895677321 619580260 /nfs/dbraw/zinc/58/02/60/619580260.db2.gz LIOZFUPHAJQVNF-UHFFFAOYSA-N 0 1 265.360 2.974 20 30 CFEDMN C=C(C)C[C@@H](CO)[NH2+]Cc1cc(Cl)c(C)cc1[O-] ZINC000895714126 619589096 /nfs/dbraw/zinc/58/90/96/619589096.db2.gz ZHUKQSQSFXFXJC-LBPRGKRZSA-N 0 1 269.772 2.771 20 30 CFEDMN CN1CC[C@H]1CNc1cc(C#N)ccc1C(F)(F)F ZINC000895770125 619603180 /nfs/dbraw/zinc/60/31/80/619603180.db2.gz KPNSQYMLJUCZGE-JTQLQIEISA-N 0 1 269.270 2.693 20 30 CFEDMN C#CCN1CCC(Nc2c(Cl)cccc2[N+](=O)[O-])CC1 ZINC000895804657 619611982 /nfs/dbraw/zinc/61/19/82/619611982.db2.gz UETQBNTXMPDBPE-UHFFFAOYSA-N 0 1 293.754 2.758 20 30 CFEDMN C#CCN1CCC(Nc2ccc3cc(OC)ccc3n2)CC1 ZINC000895807423 619612523 /nfs/dbraw/zinc/61/25/23/619612523.db2.gz OAZPIQJJIBWZHA-UHFFFAOYSA-N 0 1 295.386 2.753 20 30 CFEDMN C=CCC[C@@H](NCc1nccs1)[C@H]1CCCO1 ZINC000883175053 619618701 /nfs/dbraw/zinc/61/87/01/619618701.db2.gz YCLPWLJEUTXQMP-VXGBXAGGSA-N 0 1 252.383 2.747 20 30 CFEDMN C=CCC1(O)CCN(Cc2cc(C#N)cs2)CC1 ZINC000895835146 619619908 /nfs/dbraw/zinc/61/99/08/619619908.db2.gz ASFUNAOULUGJON-UHFFFAOYSA-N 0 1 262.378 2.523 20 30 CFEDMN Cn1ccc(C2CCN(Cc3csc(C#N)c3)CC2)n1 ZINC000896494367 619748644 /nfs/dbraw/zinc/74/86/44/619748644.db2.gz IXDOYRBGWUJHAC-UHFFFAOYSA-N 0 1 286.404 2.733 20 30 CFEDMN Cc1occc1CN1CCC[C@@H](Nc2ccc(C#N)cn2)C1 ZINC000896650667 619783292 /nfs/dbraw/zinc/78/32/92/619783292.db2.gz KIXIHSLZGAEXGQ-MRXNPFEDSA-N 0 1 296.374 2.931 20 30 CFEDMN C=C1CCC(C(=O)Nc2cc(C#N)ccc2O)CC1 ZINC000896821024 619830203 /nfs/dbraw/zinc/83/02/03/619830203.db2.gz OKTTZBJOWQXKBG-UHFFFAOYSA-N 0 1 256.305 2.949 20 30 CFEDMN Cc1ccc(CNCc2cnc(F)c(C)c2)cc1C#N ZINC000896880070 619855713 /nfs/dbraw/zinc/85/57/13/619855713.db2.gz MNMLGTGNFBVELC-UHFFFAOYSA-N 0 1 269.323 2.999 20 30 CFEDMN C=C1CC(C)(c2noc([C@@H]3CCc4cnc(C)n4C3)n2)C1 ZINC000896927433 619893745 /nfs/dbraw/zinc/89/37/45/619893745.db2.gz LTWAMZOVDBRXCP-GFCCVEGCSA-N 0 1 284.363 2.912 20 30 CFEDMN C#CCN1CCC(NC(=O)c2cscc2C(F)F)CC1 ZINC000928661051 619952931 /nfs/dbraw/zinc/95/29/31/619952931.db2.gz XSUUSNGQTHNABG-UHFFFAOYSA-N 0 1 298.358 2.513 20 30 CFEDMN C=C(Cl)CN(C)C1CCN(C(=O)c2cc(C)co2)CC1 ZINC000985594626 620009854 /nfs/dbraw/zinc/00/98/54/620009854.db2.gz OYPMGCOWKVVHFC-UHFFFAOYSA-N 0 1 296.798 2.877 20 30 CFEDMN COC[C@@H](N[C@H](C)CC(C)(C)C#N)c1ccco1 ZINC000925207711 620024223 /nfs/dbraw/zinc/02/42/23/620024223.db2.gz YZWMZPMNMYMXEL-VXGBXAGGSA-N 0 1 250.342 2.885 20 30 CFEDMN C=C(Cl)CN[C@H]1CCN(C(=O)c2ccc(F)cc2)[C@H]1C ZINC000985875559 620047150 /nfs/dbraw/zinc/04/71/50/620047150.db2.gz METNJZQAVBVPED-FZMZJTMJSA-N 0 1 296.773 2.771 20 30 CFEDMN C=C(Cl)CN[C@H]1CCN(C(=O)c2ccccc2F)[C@H]1C ZINC000985898056 620049820 /nfs/dbraw/zinc/04/98/20/620049820.db2.gz KVEUPPGNXPEDCT-FZMZJTMJSA-N 0 1 296.773 2.771 20 30 CFEDMN CC(C)=CC(=O)N1CC[C@@H](NCc2ccccc2C#N)[C@H]1C ZINC000985934228 620053230 /nfs/dbraw/zinc/05/32/30/620053230.db2.gz YZZUPOLJECXEAV-RHSMWYFYSA-N 0 1 297.402 2.603 20 30 CFEDMN C=C(Cl)CN[C@H]1CCN(C(=O)c2ccsc2)[C@H]1C ZINC000985941113 620053706 /nfs/dbraw/zinc/05/37/06/620053706.db2.gz IMLCPRSQJFGXLX-JQWIXIFHSA-N 0 1 284.812 2.693 20 30 CFEDMN C=C(Cl)CN[C@@H]1CCN(C(=O)c2ccc(C)o2)[C@H]1C ZINC000985954104 620054226 /nfs/dbraw/zinc/05/42/26/620054226.db2.gz BPZBHTRLOHPREK-NWDGAFQWSA-N 0 1 282.771 2.533 20 30 CFEDMN C=C(Cl)CN[C@@H]1CCN(C(=O)CCC2CC2)[C@H]1C ZINC000986073906 620062472 /nfs/dbraw/zinc/06/24/72/620062472.db2.gz YGGHTHLAHZDUNJ-WCQYABFASA-N 0 1 270.804 2.508 20 30 CFEDMN C/C=C(/C)C(=O)N1CC[C@H](NCc2ccccc2C#N)[C@@H]1C ZINC000986139235 620072331 /nfs/dbraw/zinc/07/23/31/620072331.db2.gz XCOUSYALALNEME-WAFWRPRCSA-N 0 1 297.402 2.603 20 30 CFEDMN C=C(Cl)CN[C@H]1CCN(C(=O)c2coc(C)c2)[C@H]1C ZINC000986198138 620075235 /nfs/dbraw/zinc/07/52/35/620075235.db2.gz NKDWTBUZMRLXPX-AAEUAGOBSA-N 0 1 282.771 2.533 20 30 CFEDMN C=C(Cl)CN[C@@H]1CCN(C(=O)C(C)=C2CCC2)[C@H]1C ZINC000986266161 620077818 /nfs/dbraw/zinc/07/78/18/620077818.db2.gz LKBKZDJGXDLMCK-GXTWGEPZSA-N 0 1 282.815 2.818 20 30 CFEDMN C=C(Cl)CN[C@H]1CCN(C(=O)C(C)=C2CCC2)[C@@H]1C ZINC000986266166 620077900 /nfs/dbraw/zinc/07/79/00/620077900.db2.gz LKBKZDJGXDLMCK-OCCSQVGLSA-N 0 1 282.815 2.818 20 30 CFEDMN C=C(Cl)CN[C@@H]1C[C@@H](C)N(C(=O)c2ccc(F)cc2)C1 ZINC000987826914 620155912 /nfs/dbraw/zinc/15/59/12/620155912.db2.gz PDPHUFIWBIBJRE-BXUZGUMPSA-N 0 1 296.773 2.771 20 30 CFEDMN C=C(Cl)CN[C@H]1C[C@@H](C)N(C(=O)c2ccccc2F)C1 ZINC000987855642 620156953 /nfs/dbraw/zinc/15/69/53/620156953.db2.gz KEALUSHMPFREQD-NEPJUHHUSA-N 0 1 296.773 2.771 20 30 CFEDMN C=C(Cl)CN[C@H]1C[C@@H](C)N(C(=O)c2cccc(F)c2)C1 ZINC000987908982 620158475 /nfs/dbraw/zinc/15/84/75/620158475.db2.gz RGSHWDWWCDDUEV-RISCZKNCSA-N 0 1 296.773 2.771 20 30 CFEDMN C=C(Cl)CN[C@H]1C[C@H](C)N(C(=O)CCc2ccco2)C1 ZINC000988047494 620160872 /nfs/dbraw/zinc/16/08/72/620160872.db2.gz GFYDGWOPSHCFGG-STQMWFEESA-N 0 1 296.798 2.544 20 30 CFEDMN C=C(Cl)CN[C@H]1C[C@H](C)N(C(=O)c2occc2C)C1 ZINC000988088578 620161257 /nfs/dbraw/zinc/16/12/57/620161257.db2.gz MCSLHOOKUZRPIX-RYUDHWBXSA-N 0 1 282.771 2.533 20 30 CFEDMN CC1(C)CC[C@H](CCNCc2nc(C#N)cs2)OC1 ZINC000897476092 620181939 /nfs/dbraw/zinc/18/19/39/620181939.db2.gz JPCIVYXFUPNUIM-GFCCVEGCSA-N 0 1 279.409 2.700 20 30 CFEDMN C=C(Cl)CN[C@@H]1C[C@H](C)N(C(=O)CCC2CCC2)C1 ZINC000988516690 620197097 /nfs/dbraw/zinc/19/70/97/620197097.db2.gz YZXLPNDULMMLNB-GXTWGEPZSA-N 0 1 284.831 2.898 20 30 CFEDMN C=C(Cl)CN[C@H]1C[C@@H](C)N(C(=O)CCc2ccoc2)C1 ZINC000988570660 620202303 /nfs/dbraw/zinc/20/23/03/620202303.db2.gz YQQAIKZAWZUXGJ-OCCSQVGLSA-N 0 1 296.798 2.544 20 30 CFEDMN C#CCCCN[C@@H](C)c1ncc(Br)s1 ZINC000179235083 620216587 /nfs/dbraw/zinc/21/65/87/620216587.db2.gz BPFKIILXKHHGGP-QMMMGPOBSA-N 0 1 273.199 2.970 20 30 CFEDMN C=C(Cl)CN[C@H]1C[C@H](C)N(C(=O)c2ccc(CC)o2)C1 ZINC000989055815 620230449 /nfs/dbraw/zinc/23/04/49/620230449.db2.gz PLSDSXHZIXPIHH-RYUDHWBXSA-N 0 1 296.798 2.787 20 30 CFEDMN C=C(Cl)CN[C@H]1C[C@H](C)N(C(=O)c2cocc2C)C1 ZINC000989291287 620243112 /nfs/dbraw/zinc/24/31/12/620243112.db2.gz NUTBANIKUVCPPH-RYUDHWBXSA-N 0 1 282.771 2.533 20 30 CFEDMN C=CCN1CCCN(C(=O)c2ccc3ccncc3c2)CC1 ZINC000989422801 620263174 /nfs/dbraw/zinc/26/31/74/620263174.db2.gz QWTRIHFAYYFOGF-UHFFFAOYSA-N 0 1 295.386 2.569 20 30 CFEDMN CC(C)(C)N1CC[C@@H]1C(=O)NC1(c2cccc(C#N)c2)CC1 ZINC000897697758 620272661 /nfs/dbraw/zinc/27/26/61/620272661.db2.gz BETAPFXQFXSHEJ-OAHLLOKOSA-N 0 1 297.402 2.536 20 30 CFEDMN C#CCN(Cc1ccccc1)C(=O)[C@H]1CCN1C(C)(C)C ZINC000897752201 620276282 /nfs/dbraw/zinc/27/62/82/620276282.db2.gz VHWFEDPKTSRHBX-MRXNPFEDSA-N 0 1 284.403 2.521 20 30 CFEDMN C=CCN1CCCN(C(=O)[C@H](C)c2ccc(C)s2)CC1 ZINC000989478009 620375387 /nfs/dbraw/zinc/37/53/87/620375387.db2.gz RWZMRHMAZIINBS-CQSZACIVSA-N 0 1 292.448 2.880 20 30 CFEDMN C=CCN1CCCN(C(=O)c2cc(CC(C)C)c[nH]2)CC1 ZINC000989496694 620378516 /nfs/dbraw/zinc/37/85/16/620378516.db2.gz XPEDNCVNUDSIEV-UHFFFAOYSA-N 0 1 289.423 2.547 20 30 CFEDMN C=C(C)CN1CCCN(C(=O)[C@@H]2C[C@H]2c2ccccc2)CC1 ZINC000989516759 620379991 /nfs/dbraw/zinc/37/99/91/620379991.db2.gz KVKULTGPKTVILX-ZWKOTPCHSA-N 0 1 298.430 2.901 20 30 CFEDMN C#CCCN1CCCN(C(=O)C23CCC(CC2)CC3)CC1 ZINC000989709661 620387078 /nfs/dbraw/zinc/38/70/78/620387078.db2.gz SDDJJJVJQWRMOG-UHFFFAOYSA-N 0 1 288.435 2.514 20 30 CFEDMN C=CCN1CCCN(C(=O)CC(C2CC2)C2CC2)CC1 ZINC000989747654 620388823 /nfs/dbraw/zinc/38/88/23/620388823.db2.gz QDRULOGOBJOFBU-UHFFFAOYSA-N 0 1 276.424 2.533 20 30 CFEDMN C=CCCC(=O)OC[C@H]1CCC[N@H+]1Cc1ccco1 ZINC000089489071 620407455 /nfs/dbraw/zinc/40/74/55/620407455.db2.gz BVDVYJWNJJDBHH-CYBMUJFWSA-N 0 1 263.337 2.753 20 30 CFEDMN C=CCCC(=O)OC[C@H]1CCCN1Cc1ccco1 ZINC000089489071 620407456 /nfs/dbraw/zinc/40/74/56/620407456.db2.gz BVDVYJWNJJDBHH-CYBMUJFWSA-N 0 1 263.337 2.753 20 30 CFEDMN C=CCN1CC[C@]2(NC(=O)c3sccc3F)CCC[C@@H]12 ZINC000990496815 620426623 /nfs/dbraw/zinc/42/66/23/620426623.db2.gz OPVZHXYQNNHLEC-IUODEOHRSA-N 0 1 294.395 2.800 20 30 CFEDMN C=CC(C)(C)NCc1ccc(C(=O)OC)cc1F ZINC000898463197 620467269 /nfs/dbraw/zinc/46/72/69/620467269.db2.gz VZEFIZCXLXBRBW-UHFFFAOYSA-N 0 1 251.301 2.667 20 30 CFEDMN Cn1cc(/C=C\C(=O)c2ccc(O)cc2O)c(C2CC2)n1 ZINC000899361693 620552754 /nfs/dbraw/zinc/55/27/54/620552754.db2.gz BFQMANYBYSBSKI-DAXSKMNVSA-N 0 1 284.315 2.605 20 30 CFEDMN Cn1cc(/C=C\C(=O)c2ccccc2O)c(C2CC2)n1 ZINC000899362651 620553636 /nfs/dbraw/zinc/55/36/36/620553636.db2.gz ZCAKIYYYBPGXOW-HJWRWDBZSA-N 0 1 268.316 2.899 20 30 CFEDMN C#Cc1ccc(C[N@@H+]2CC[C@@](C(=O)[O-])(C(C)C)C2)cc1 ZINC000901465295 620830692 /nfs/dbraw/zinc/83/06/92/620830692.db2.gz VZDHLEZHUDREKN-KRWDZBQOSA-N 0 1 271.360 2.601 20 30 CFEDMN C=CC[N@@H+](CC(=O)[O-])Cc1cc(C)c(C)cc1OC(F)F ZINC000901585266 620869746 /nfs/dbraw/zinc/86/97/46/620869746.db2.gz BUKDVZQJOFWBOP-UHFFFAOYSA-N 0 1 299.317 2.977 20 30 CFEDMN C=CC[N@@H+](CC(=O)[O-])Cc1ccc(OCC(C)C)cc1 ZINC000901585608 620870061 /nfs/dbraw/zinc/87/00/61/620870061.db2.gz BBGQYYGZSIHRDL-UHFFFAOYSA-N 0 1 277.364 2.794 20 30 CFEDMN C=CCOc1ccc(C[N@@H+]2CCC[C@](C)(C(=O)[O-])C2)cc1 ZINC000901698632 620897769 /nfs/dbraw/zinc/89/77/69/620897769.db2.gz JIRAEXDIYAIZHN-KRWDZBQOSA-N 0 1 289.375 2.938 20 30 CFEDMN C=CCOc1ccc(C[N@@H+]2CC[C@H](C)C[C@@H]2C(=O)[O-])cc1 ZINC000902014844 620958955 /nfs/dbraw/zinc/95/89/55/620958955.db2.gz GZEHJCUVVHZMAL-XJKSGUPXSA-N 0 1 289.375 2.937 20 30 CFEDMN C#CCOc1ccc(C[N@H+](C)[C@@H](CC(C)C)C(=O)[O-])cc1 ZINC000902018263 620959578 /nfs/dbraw/zinc/95/95/78/620959578.db2.gz BVRXYGGNUWSQQK-INIZCTEOSA-N 0 1 289.375 2.630 20 30 CFEDMN C=C[C@@H]1CCCC[N@@H+]1Cc1ccc(/C=C\C(=O)[O-])o1 ZINC000902545339 621123769 /nfs/dbraw/zinc/12/37/69/621123769.db2.gz VNXHQAKBKGDSTN-JLVNDZCYSA-N 0 1 261.321 2.918 20 30 CFEDMN C[C@@H](O)c1ccc(CN[C@@H](C)c2cc(C#N)ccn2)cc1 ZINC000902763155 621162645 /nfs/dbraw/zinc/16/26/45/621162645.db2.gz UQZVFWVKGZOHGP-QWHCGFSZSA-N 0 1 281.359 2.857 20 30 CFEDMN CC[C@H](C)c1nc([C@H](C)N[C@@H](C)c2cc(C#N)ccn2)n[nH]1 ZINC000902969322 621211531 /nfs/dbraw/zinc/21/15/31/621211531.db2.gz DDRBHVOTGWFJLQ-SRVKXCTJSA-N 0 1 298.394 2.997 20 30 CFEDMN CC[C@@H](NCc1cc(C)nn1C)c1cccc(C#N)c1 ZINC000902982737 621217001 /nfs/dbraw/zinc/21/70/01/621217001.db2.gz OIPZAHURAZWFNC-MRXNPFEDSA-N 0 1 268.364 2.841 20 30 CFEDMN C[C@@H](NCCO[C@@H](C)C#N)c1ccc(F)cc1F ZINC000801940415 621239496 /nfs/dbraw/zinc/23/94/96/621239496.db2.gz XHTLPGPBRGJPCD-VHSXEESVSA-N 0 1 254.280 2.544 20 30 CFEDMN CC(=O)Nc1ccc([C@H](C)NCC(C)(C)C#N)cc1 ZINC000903100535 621252731 /nfs/dbraw/zinc/25/27/31/621252731.db2.gz RYJZYXFBUVMGBS-NSHDSACASA-N 0 1 259.353 2.845 20 30 CFEDMN COc1cccc2c1CCC[C@H]2NCC1(C#N)CC1 ZINC000903106110 621255603 /nfs/dbraw/zinc/25/56/03/621255603.db2.gz MRGRTYAGVRBIPF-CQSZACIVSA-N 0 1 256.349 2.966 20 30 CFEDMN Cc1cc(C#N)cc(C)c1C[N@@H+]1CCC[C@@H](C)[C@H]1C(=O)[O-] ZINC000903408053 621362979 /nfs/dbraw/zinc/36/29/79/621362979.db2.gz NNZDAQPDEZHGJO-BZNIZROVSA-N 0 1 286.375 2.860 20 30 CFEDMN Cc1cc(C#N)cc(C)c1C[N@H+]1CC[C@H](C(=O)[O-])[C@@H](C)C1 ZINC000903408171 621363189 /nfs/dbraw/zinc/36/31/89/621363189.db2.gz FUYLHDCRPLCPSH-ZFWWWQNUSA-N 0 1 286.375 2.718 20 30 CFEDMN Cc1cc(C#N)cc(C)c1C[N@H+]1C[C@@H](C)C[C@H](C(=O)[O-])C1 ZINC000903407755 621363297 /nfs/dbraw/zinc/36/32/97/621363297.db2.gz LAGWEJAHIURWOU-NHYWBVRUSA-N 0 1 286.375 2.718 20 30 CFEDMN C[C@H]1CC[C@@H](C(=O)[O-])C[N@H+]1Cc1cc(Cl)cc(C#N)c1 ZINC000903409119 621364194 /nfs/dbraw/zinc/36/41/94/621364194.db2.gz WCOSBYYVMGHMLO-GXFFZTMASA-N 0 1 292.766 2.897 20 30 CFEDMN C[C@@H](NCCOC1CCSCC1)c1cc(C#N)ccn1 ZINC000903445313 621384007 /nfs/dbraw/zinc/38/40/07/621384007.db2.gz HCCJXPCILHTVIM-GFCCVEGCSA-N 0 1 291.420 2.516 20 30 CFEDMN C=C(Br)C[N@H+](CC(C)C)CC(C)(C)C(=O)[O-] ZINC000903620846 621406986 /nfs/dbraw/zinc/40/69/86/621406986.db2.gz GFGAVEBXNDGYDW-UHFFFAOYSA-N 0 1 292.217 2.964 20 30 CFEDMN C=C[C@H]1CCCC[N@@H+]1Cc1ccc(C(=O)[O-])s1 ZINC000903685738 621418559 /nfs/dbraw/zinc/41/85/59/621418559.db2.gz ZWGDQJLCFSERGE-JTQLQIEISA-N 0 1 251.351 2.987 20 30 CFEDMN N#Cc1ccc(C[N@@H+]2CCCC[C@@H]2CCC(=O)[O-])s1 ZINC000903697772 621420175 /nfs/dbraw/zinc/42/01/75/621420175.db2.gz KPFMTLPCWIQTHE-LLVKDONJSA-N 0 1 278.377 2.839 20 30 CFEDMN N#CC1(CCCC[N@H+](CC(=O)[O-])C2CCC2)CCC1 ZINC000903702371 621421815 /nfs/dbraw/zinc/42/18/15/621421815.db2.gz ACZPMCRYKMYEPT-UHFFFAOYSA-N 0 1 264.369 2.790 20 30 CFEDMN C=CCCC[N@@H+]1CC[C@H](c2ncc(C(=O)[O-])s2)C1 ZINC000903928632 621475708 /nfs/dbraw/zinc/47/57/08/621475708.db2.gz WFEBIKFJAPTHMT-JTQLQIEISA-N 0 1 266.366 2.597 20 30 CFEDMN CC(C)n1cc(/C=C/C(=O)c2cccc(CN(C)C)c2)nn1 ZINC000905077792 621689876 /nfs/dbraw/zinc/68/98/76/621689876.db2.gz FOEPQQHZZPAWAH-CMDGGOBGSA-N 0 1 298.390 2.817 20 30 CFEDMN CCc1nn(C)cc1/C=C\C(=O)c1cccc(CN(C)C)c1 ZINC000905078056 621690536 /nfs/dbraw/zinc/69/05/36/621690536.db2.gz JSSGZFYQYWPHTO-KTKRTIGZSA-N 0 1 297.402 2.940 20 30 CFEDMN CC1/C(=C\c2ncc(C(C)(C)C)s2)C(=O)c2ncnn21 ZINC000905087803 621693468 /nfs/dbraw/zinc/69/34/68/621693468.db2.gz ZPDITURUUBXORZ-CBVZUMJXSA-N 0 1 288.376 2.873 20 30 CFEDMN C[C@@H](c1cccc(C#N)c1)n1cc(CN(C)C(C)(C)C)nn1 ZINC000905807714 621868909 /nfs/dbraw/zinc/86/89/09/621868909.db2.gz MXMCHWZEVOSEKW-ZDUSSCGKSA-N 0 1 297.406 2.989 20 30 CFEDMN N#Cc1cc(-c2cncc([C@H]3CCC[NH2+]3)c2)ccc1[O-] ZINC000906171141 621943562 /nfs/dbraw/zinc/94/35/62/621943562.db2.gz QRKHGXNXRVBKCL-OAHLLOKOSA-N 0 1 265.316 2.750 20 30 CFEDMN N#Cc1ccc(-c2cnc([C@@H]3CCCCN3)nc2)s1 ZINC000906163234 621950941 /nfs/dbraw/zinc/95/09/41/621950941.db2.gz BYDCGMZOHALOOV-LBPRGKRZSA-N 0 1 270.361 2.891 20 30 CFEDMN N#Cc1cccc(-c2cnc([C@@H]3CCCCN3)nc2)c1 ZINC000906163966 621950984 /nfs/dbraw/zinc/95/09/84/621950984.db2.gz ICSYZCJZXDHZDX-HNNXBMFYSA-N 0 1 264.332 2.830 20 30 CFEDMN C=CCCC(=O)[C@H]1CCCN1C(=O)c1cc(C(C)C)[nH]n1 ZINC000908644545 622253659 /nfs/dbraw/zinc/25/36/59/622253659.db2.gz MSJYGCCIBCOHCF-CQSZACIVSA-N 0 1 289.379 2.673 20 30 CFEDMN C#CCCC[N@@H+](CC(=O)[O-])[C@H](CC)c1ccccc1 ZINC000833361696 625563272 /nfs/dbraw/zinc/56/32/72/625563272.db2.gz HVGVUFZNBAUVOC-OAHLLOKOSA-N 0 1 259.349 2.938 20 30 CFEDMN C=CCC[C@H]1CCCN1C(=O)NCCCc1cn[nH]c1C ZINC000911895768 622572970 /nfs/dbraw/zinc/57/29/70/622572970.db2.gz SGSQRMPEKPJLKP-HNNXBMFYSA-N 0 1 290.411 2.791 20 30 CFEDMN C=CCN(CC=C)C(=O)C[C@@H](N)c1ccccc1OCC ZINC000911918579 622574842 /nfs/dbraw/zinc/57/48/42/622574842.db2.gz BHHMEWYUOOGMMX-OAHLLOKOSA-N 0 1 288.391 2.676 20 30 CFEDMN C[C@H]1CCCCN1NC(=O)C(F)(F)c1ccccc1C#N ZINC000912147494 622648603 /nfs/dbraw/zinc/64/86/03/622648603.db2.gz SVFPMCJRYDDQQE-NSHDSACASA-N 0 1 293.317 2.556 20 30 CFEDMN Cc1n[nH]c(C(C)C)c1C(=O)NCCC#C[Si](C)(C)C ZINC000912329677 622681619 /nfs/dbraw/zinc/68/16/19/622681619.db2.gz QELWRTFMPLXMBT-UHFFFAOYSA-N 0 1 291.471 2.842 20 30 CFEDMN C=CC[N@H+]1CC[C@@]2(NC(=O)c3ccc(CC)o3)CCC[C@H]12 ZINC000991415881 622790054 /nfs/dbraw/zinc/79/00/54/622790054.db2.gz LUZWOLUDDUVWJZ-RDJZCZTQSA-N 0 1 288.391 2.755 20 30 CFEDMN CC(C)c1ccc(C=NNc2cnccn2)cc1[N+](=O)[O-] ZINC000912962013 622805791 /nfs/dbraw/zinc/80/57/91/622805791.db2.gz QWSUKYJVASKZMR-UHFFFAOYSA-N 0 1 285.307 2.954 20 30 CFEDMN CC(C)(C)C#CCOC(=O)c1cc2[nH]cnc2cc1F ZINC000820977330 622810999 /nfs/dbraw/zinc/81/09/99/622810999.db2.gz ZNUGSCVRBZPGLN-UHFFFAOYSA-N 0 1 274.295 2.908 20 30 CFEDMN C=CCCC(=O)N1CCc2nc[nH]c2[C@H]1c1ccccc1 ZINC000913513736 622910579 /nfs/dbraw/zinc/91/05/79/622910579.db2.gz SLUGQMQPBNUTDV-QGZVFWFLSA-N 0 1 281.359 2.850 20 30 CFEDMN Cc1ccc2sc(C(=O)NCC#CCN(C)C)cc2c1 ZINC000913522666 622911853 /nfs/dbraw/zinc/91/18/53/622911853.db2.gz SWRLBLZHPRHPRF-UHFFFAOYSA-N 0 1 286.400 2.505 20 30 CFEDMN O=C(/C=C/c1cccc([N+](=O)[O-])c1)c1cc(O)ccc1O ZINC000156661776 622955129 /nfs/dbraw/zinc/95/51/29/622955129.db2.gz GZUMWYHSYWXMIY-GQCTYLIASA-N 0 1 285.255 2.902 20 30 CFEDMN CNC(=O)c1ccc(/C=C/C(=O)c2ccc(C)cc2O)cc1 ZINC000156710632 622957686 /nfs/dbraw/zinc/95/76/86/622957686.db2.gz VZEHODXGNBTAKZ-UXBLZVDNSA-N 0 1 295.338 2.956 20 30 CFEDMN O=C(/C=C/c1cc(O)ccc1[N+](=O)[O-])c1cccnc1 ZINC000157200928 623013072 /nfs/dbraw/zinc/01/30/72/623013072.db2.gz PCZWXLKMMGECIK-ZZXKWVIFSA-N 0 1 270.244 2.592 20 30 CFEDMN CC(C)NC(=O)C(C#N)C(=O)C[C@@H](C)c1ccccc1F ZINC000170672997 623173195 /nfs/dbraw/zinc/17/31/95/623173195.db2.gz ILXPRKIRGNIAHW-DGCLKSJQSA-N 0 1 290.338 2.553 20 30 CFEDMN CCCCCNC(=O)C(C#N)C(=O)[C@H](SCC)C(C)C ZINC000171363956 623218717 /nfs/dbraw/zinc/21/87/17/623218717.db2.gz YUCMBSQOSYLREX-GXTWGEPZSA-N 0 1 298.452 2.779 20 30 CFEDMN N#CCOc1ccc(CNCc2cccc(O)c2)cc1 ZINC000171769695 623242310 /nfs/dbraw/zinc/24/23/10/623242310.db2.gz FDJMBLJMZVAPKI-UHFFFAOYSA-N 0 1 268.316 2.584 20 30 CFEDMN Cc1cccc(NC(=O)C(C#N)C(=O)[C@@H](C)C(C)C)c1 ZINC000172020666 623254063 /nfs/dbraw/zinc/25/40/63/623254063.db2.gz BKPVEHUBAVSZEP-GXTWGEPZSA-N 0 1 272.348 2.935 20 30 CFEDMN COc1cccc(NC(=O)C(C#N)C(=O)CC2CCC2)c1 ZINC000173959910 623377013 /nfs/dbraw/zinc/37/70/13/623377013.db2.gz DWZLTMDFELQVQY-CQSZACIVSA-N 0 1 286.331 2.533 20 30 CFEDMN CC(C)NC(=O)C(C#N)C(=O)CCCC1CCCC1 ZINC000173983635 623378812 /nfs/dbraw/zinc/37/88/12/623378812.db2.gz VLSBWYIYQBHSIY-CYBMUJFWSA-N 0 1 264.369 2.580 20 30 CFEDMN C=CCCCN(C)CN1C[C@@H](CC(C)C)CC1=O ZINC000174078189 623385359 /nfs/dbraw/zinc/38/53/59/623385359.db2.gz RTMIXKRQMSJRAA-AWEZNQCLSA-N 0 1 252.402 2.737 20 30 CFEDMN C#CCC1(C(=O)O[C@H](C)c2n[nH]c(C)n2)CCCCC1 ZINC000840483916 623430142 /nfs/dbraw/zinc/43/01/42/623430142.db2.gz FMFPKFUWHBPILF-LLVKDONJSA-N 0 1 275.352 2.691 20 30 CFEDMN COc1ccc(N2CCN(CC3(CC#N)CC3)CC2)cc1 ZINC000088259230 623445855 /nfs/dbraw/zinc/44/58/55/623445855.db2.gz ORINENQGRNJODT-UHFFFAOYSA-N 0 1 285.391 2.511 20 30 CFEDMN C=C1CCC(C(=O)N[C@]23CCC[C@H]2N(CCF)CC3)CC1 ZINC000992152822 623470741 /nfs/dbraw/zinc/47/07/41/623470741.db2.gz NIWIXGQCAZFQFN-WBVHZDCISA-N 0 1 294.414 2.816 20 30 CFEDMN C#CCN1CC[C@]2(NC(=O)c3ccccc3CC)CCC[C@H]12 ZINC000992158405 623473924 /nfs/dbraw/zinc/47/39/24/623473924.db2.gz IMYPYAPJZSDNMZ-PKOBYXMFSA-N 0 1 296.414 2.609 20 30 CFEDMN C#CCN1CC[C@]2(NC(=O)c3ccc(C=C)cc3)CCC[C@H]12 ZINC000992284580 623505462 /nfs/dbraw/zinc/50/54/62/623505462.db2.gz OVMGGGARZMEXOL-PKOBYXMFSA-N 0 1 294.398 2.690 20 30 CFEDMN C#CCN1CC[C@@]2(NC(=O)c3cc(C)ccc3C)CCC[C@@H]12 ZINC000992464682 623581620 /nfs/dbraw/zinc/58/16/20/623581620.db2.gz QMWVFXBIMLYHSR-MJGOQNOKSA-N 0 1 296.414 2.663 20 30 CFEDMN C#CCOc1ccc(CNCc2cc(C3CC3)nn2C)cc1 ZINC000824926134 623590511 /nfs/dbraw/zinc/59/05/11/623590511.db2.gz KFVUTRJLOUBYKT-UHFFFAOYSA-N 0 1 295.386 2.599 20 30 CFEDMN C=CC[C@H]1CCCN(C(=O)c2cccc(F)c2O)C1 ZINC000824972438 623597463 /nfs/dbraw/zinc/59/74/63/623597463.db2.gz NTQCTJCGMTYYSB-NSHDSACASA-N 0 1 263.312 2.960 20 30 CFEDMN C#Cc1cccc(CNCc2ccc(COC)o2)c1 ZINC000825227025 623654223 /nfs/dbraw/zinc/65/42/23/623654223.db2.gz PIZOSODZFCGITG-UHFFFAOYSA-N 0 1 255.317 2.697 20 30 CFEDMN N#Cc1cncc(C[N@H+]2CCS[C@H]3CCCC[C@H]32)c1 ZINC000929818470 623795986 /nfs/dbraw/zinc/79/59/86/623795986.db2.gz XDTWYSFLNVUPAV-CABCVRRESA-N 0 1 273.405 2.813 20 30 CFEDMN N#Cc1cncc(CN2CCS[C@H]3CCCC[C@H]32)c1 ZINC000929818470 623795989 /nfs/dbraw/zinc/79/59/89/623795989.db2.gz XDTWYSFLNVUPAV-CABCVRRESA-N 0 1 273.405 2.813 20 30 CFEDMN C[C@@H]1CC(N=Nc2nc3ccccc3[n-]2)C[N@@H+]1C1CC1 ZINC000753954341 623797313 /nfs/dbraw/zinc/79/73/13/623797313.db2.gz ABCREJAGGROLAV-SNVBAGLBSA-N 0 1 269.352 2.587 20 30 CFEDMN C[C@@H]1CC(N=Nc2nc3ccccc3[n-]2)C[N@H+]1C1CC1 ZINC000753954341 623797316 /nfs/dbraw/zinc/79/73/16/623797316.db2.gz ABCREJAGGROLAV-SNVBAGLBSA-N 0 1 269.352 2.587 20 30 CFEDMN C=CC[N@@H+]1CCC[C@H](NC(=O)c2ccccc2F)[C@@H]1C ZINC000992980012 623825424 /nfs/dbraw/zinc/82/54/24/623825424.db2.gz HSKIPKRWGBYCFI-WFASDCNBSA-N 0 1 276.355 2.594 20 30 CFEDMN C=CCN1CCC[C@H](NC(=O)c2ccccc2F)[C@@H]1C ZINC000992980012 623825430 /nfs/dbraw/zinc/82/54/30/623825430.db2.gz HSKIPKRWGBYCFI-WFASDCNBSA-N 0 1 276.355 2.594 20 30 CFEDMN C=C[C@@H](CC)CC(=O)NC[C@@H]1CCN1Cc1ccccc1 ZINC000826635000 623827223 /nfs/dbraw/zinc/82/72/23/623827223.db2.gz KGIHUNCONWQJTL-RDJZCZTQSA-N 0 1 286.419 2.979 20 30 CFEDMN C=CCN1CCC[C@H](NC(=O)c2ccccc2C)[C@@H]1C ZINC000992988870 623832511 /nfs/dbraw/zinc/83/25/11/623832511.db2.gz HYHPPYOCUTYIOK-HOCLYGCPSA-N 0 1 272.392 2.764 20 30 CFEDMN C#CCCN1CCC[C@@H](NC(=O)c2ccc(Cl)o2)[C@H]1C ZINC000993040920 623861768 /nfs/dbraw/zinc/86/17/68/623861768.db2.gz RQMBKBQJBQJUQI-VXGBXAGGSA-N 0 1 294.782 2.539 20 30 CFEDMN C=CCN1CCC[C@@H](NC(=O)c2cc(C)oc2C)[C@@H]1C ZINC000993049116 623869439 /nfs/dbraw/zinc/86/94/39/623869439.db2.gz PSAZCPGOEJKUPC-SWLSCSKDSA-N 0 1 276.380 2.665 20 30 CFEDMN C=C(C)C[N@@H+]1CCC[C@H](NC(=O)c2ccccc2O)[C@@H]1C ZINC000993073192 623887622 /nfs/dbraw/zinc/88/76/22/623887622.db2.gz QCOCLJYNTYMZOC-ZFWWWQNUSA-N 0 1 288.391 2.551 20 30 CFEDMN Cc1[nH+]c(C=NNc2ccc(C(=O)[O-])cc2)c2ccccn12 ZINC000914601360 623908161 /nfs/dbraw/zinc/90/81/61/623908161.db2.gz NRMOSVBFZDEIQW-UHFFFAOYSA-N 0 1 294.314 2.787 20 30 CFEDMN CC(C)(C)c1nc(CN=Nc2ccncn2)cs1 ZINC000835000741 623925569 /nfs/dbraw/zinc/92/55/69/623925569.db2.gz AFKQAWGETRVLOW-UHFFFAOYSA-N 0 1 261.354 2.677 20 30 CFEDMN C=CC[C@@H]1CCN(C(=O)c2cc(F)cc(F)c2O)C1 ZINC000827044103 623929673 /nfs/dbraw/zinc/92/96/73/623929673.db2.gz ARSUYGDZLDSCOI-SECBINFHSA-N 0 1 267.275 2.709 20 30 CFEDMN CCN(CC)c1ccc(C=NOC[C@H]2CCOC2)c(O)c1 ZINC000788030016 623945278 /nfs/dbraw/zinc/94/52/78/623945278.db2.gz IVOZMBTUDUXANN-ZDUSSCGKSA-N 0 1 292.379 2.625 20 30 CFEDMN CCCCCCCC(=O)N1CCNC[C@@H]1CCC ZINC000834469444 625687913 /nfs/dbraw/zinc/68/79/13/625687913.db2.gz BRAHNMRCDVDYIE-AWEZNQCLSA-N 0 1 254.418 2.947 20 30 CFEDMN C=C(Cl)CN[C@H]1CN(C(=O)c2ccsc2)CC1(C)C ZINC000995405430 625688982 /nfs/dbraw/zinc/68/89/82/625688982.db2.gz MFMCSUJOHOEIGB-LBPRGKRZSA-N 0 1 298.839 2.941 20 30 CFEDMN C#C[C@@H](NCc1sccc1Cl)C1CCOCC1 ZINC000827560156 624030885 /nfs/dbraw/zinc/03/08/85/624030885.db2.gz MJYCAMGQYKDSRM-GFCCVEGCSA-N 0 1 269.797 2.920 20 30 CFEDMN C#C[C@H](NCc1ccc([C@H]2C[C@H]2C)o1)C1CCOCC1 ZINC000827570591 624036625 /nfs/dbraw/zinc/03/66/25/624036625.db2.gz OXHBNPZCYLBREG-KCXAZCMYSA-N 0 1 273.376 2.921 20 30 CFEDMN CCC(=NNCCCOC)c1ccc(Cl)c(N)c1 ZINC000814919084 624049401 /nfs/dbraw/zinc/04/94/01/624049401.db2.gz KYKCDMKDUMTRDJ-UHFFFAOYSA-N 0 1 269.776 2.662 20 30 CFEDMN C=CCN1CCC[C@H](NC(=O)c2cc(C)c(C)o2)[C@H]1C ZINC000993227557 624054158 /nfs/dbraw/zinc/05/41/58/624054158.db2.gz UEUQTMVMTWJQEB-OCCSQVGLSA-N 0 1 276.380 2.665 20 30 CFEDMN C=CCN1CC[C@H](NC(=O)Cc2c(C)cc(C)cc2C)C1 ZINC001015645753 624089560 /nfs/dbraw/zinc/08/95/60/624089560.db2.gz JJGDRCYUHJQEAG-INIZCTEOSA-N 0 1 286.419 2.531 20 30 CFEDMN C=CCN1CCC[C@@H](NC(=O)C23CCC(CC2)C3)[C@@H]1C ZINC000993502515 624147844 /nfs/dbraw/zinc/14/78/44/624147844.db2.gz IZCMLJFQWJWBSZ-UJEKJILKSA-N 0 1 276.424 2.722 20 30 CFEDMN C=CCN1CCC[C@H](NC(=O)c2ccnc(C3CC3)c2)[C@H]1C ZINC000993536049 624151192 /nfs/dbraw/zinc/15/11/92/624151192.db2.gz KTXBYBSVTLUOQQ-CJNGLKHVSA-N 0 1 299.418 2.728 20 30 CFEDMN C=CCN1CCC[C@H](NC(=O)c2cc[nH]c2C2CC2)[C@@H]1C ZINC000993710244 624159547 /nfs/dbraw/zinc/15/95/47/624159547.db2.gz GMSNKKJLLBBZGC-WFASDCNBSA-N 0 1 287.407 2.661 20 30 CFEDMN C=C(C)CN1CCC[C@@H](NC(=O)c2cocc2C)[C@@H]1C ZINC000993704304 624163465 /nfs/dbraw/zinc/16/34/65/624163465.db2.gz SZUKHPLHUZUSBK-DZGCQCFKSA-N 0 1 276.380 2.747 20 30 CFEDMN C#CCN1CCC[C@@H](NC(=O)c2c(C)cccc2C)[C@H]1C ZINC000993851980 624170931 /nfs/dbraw/zinc/17/09/31/624170931.db2.gz YIXWWJQFURQNRG-HZPDHXFCSA-N 0 1 284.403 2.519 20 30 CFEDMN C#CCN1CCC[C@H](NC(=O)c2c(C)cccc2C)[C@@H]1C ZINC000993851972 624171045 /nfs/dbraw/zinc/17/10/45/624171045.db2.gz YIXWWJQFURQNRG-HOTGVXAUSA-N 0 1 284.403 2.519 20 30 CFEDMN C=CCN1CCC[C@H](NC(=O)C2Cc3ccccc3C2)[C@@H]1C ZINC000993881425 624172660 /nfs/dbraw/zinc/17/26/60/624172660.db2.gz VRROWMNCEPCBFC-KSSFIOAISA-N 0 1 298.430 2.557 20 30 CFEDMN C=CCN1CCC[C@H](NC(=O)C(C2CC2)C2CC2)[C@@H]1C ZINC000994191370 624181925 /nfs/dbraw/zinc/18/19/25/624181925.db2.gz RYROVIYUMDTNSW-WFASDCNBSA-N 0 1 276.424 2.578 20 30 CFEDMN Cc1sc2ncnc(N=NCc3csnn3)c2c1C ZINC000915942128 624194936 /nfs/dbraw/zinc/19/49/36/624194936.db2.gz ITHJHAKGESVELN-UHFFFAOYSA-N 0 1 290.377 2.606 20 30 CFEDMN O=[N+]([O-])c1ccc(N=NCc2c(F)cccc2F)nc1 ZINC000915969307 624197314 /nfs/dbraw/zinc/19/73/14/624197314.db2.gz OJHDVWDQRDBLCZ-UHFFFAOYSA-N 0 1 278.218 2.714 20 30 CFEDMN C(=NNCCN1CCCCC1)c1cc2ccccc2o1 ZINC000915974325 624198684 /nfs/dbraw/zinc/19/86/84/624198684.db2.gz ROXNTMBTIJXWHD-UHFFFAOYSA-N 0 1 271.364 2.842 20 30 CFEDMN CC(=NNCCN1CCCCC1)c1cccc(F)c1 ZINC000915974768 624199845 /nfs/dbraw/zinc/19/98/45/624199845.db2.gz WXJXTNHIEOAURJ-UHFFFAOYSA-N 0 1 263.360 2.625 20 30 CFEDMN Fc1cccc(F)c1C=NNc1ccc(Cl)nn1 ZINC000916287667 624236175 /nfs/dbraw/zinc/23/61/75/624236175.db2.gz GWTNFHNDGIJKNJ-UHFFFAOYSA-N 0 1 268.654 2.854 20 30 CFEDMN CC(C)=CCCC(C)=CC=Nn1c(=O)c(C)n[nH]c1=S ZINC000916304076 624237461 /nfs/dbraw/zinc/23/74/61/624237461.db2.gz YDJIQEBIPZCHLR-USOHRHBCSA-N 0 1 292.408 2.762 20 30 CFEDMN C=C(C)CN1CC[C@H](NC(=O)c2ccc(C3CC3)nc2C)C1 ZINC001015718428 624268633 /nfs/dbraw/zinc/26/86/33/624268633.db2.gz PDTIADKEBASJRJ-HNNXBMFYSA-N 0 1 299.418 2.648 20 30 CFEDMN CC#CCN1CCC[C@H](NC(=O)c2ccc(C)cc2)[C@@H]1C ZINC000994289664 624274487 /nfs/dbraw/zinc/27/44/87/624274487.db2.gz SHMXXIXVPZWNBA-RDJZCZTQSA-N 0 1 284.403 2.601 20 30 CFEDMN CC#CCN1CCC[C@H](NC(=O)c2cc(C)ccc2C)[C@H]1C ZINC000994294236 624275099 /nfs/dbraw/zinc/27/50/99/624275099.db2.gz DSIIXVGYLQSBEG-AEFFLSMTSA-N 0 1 298.430 2.909 20 30 CFEDMN CC#CCN1CCC[C@H](NC(=O)c2cc(C)ccc2C)[C@@H]1C ZINC000994294243 624275148 /nfs/dbraw/zinc/27/51/48/624275148.db2.gz DSIIXVGYLQSBEG-WMZOPIPTSA-N 0 1 298.430 2.909 20 30 CFEDMN C[C@@H](CC(=O)C(C#N)C(=O)N1CCCC1)CC(C)(C)C ZINC000916870969 624289340 /nfs/dbraw/zinc/28/93/40/624289340.db2.gz HBMXPNRIVCNKDJ-STQMWFEESA-N 0 1 278.396 2.780 20 30 CFEDMN CCC(CC)C(=O)C(C#N)C(=O)Nc1ccc(OC)cc1 ZINC000916950263 624294620 /nfs/dbraw/zinc/29/46/20/624294620.db2.gz OFCDUPXOIIAMDF-CQSZACIVSA-N 0 1 288.347 2.779 20 30 CFEDMN C=CCN(CC(=O)N1CCCC[C@@H]1CC)C(C)C ZINC000917070363 624306604 /nfs/dbraw/zinc/30/66/04/624306604.db2.gz AQDBNNHWMSZAKU-AWEZNQCLSA-N 0 1 252.402 2.674 20 30 CFEDMN C=CCN(CC(=O)N(C)Cc1cccs1)C(C)C ZINC000917071078 624308004 /nfs/dbraw/zinc/30/80/04/624308004.db2.gz NTHZCOOTENWXLA-UHFFFAOYSA-N 0 1 266.410 2.603 20 30 CFEDMN C#CCN1CCC[C@H](NC(=O)c2cccc(C3CC3)c2)[C@H]1C ZINC000994484410 624312391 /nfs/dbraw/zinc/31/23/91/624312391.db2.gz HVBLXYBQVAXYRU-KDOFPFPSSA-N 0 1 296.414 2.780 20 30 CFEDMN C=CCN(CC(=O)NCCc1c(F)cccc1F)C(C)C ZINC000917167793 624320228 /nfs/dbraw/zinc/32/02/28/624320228.db2.gz AOSZNJURMGCLBP-UHFFFAOYSA-N 0 1 296.361 2.520 20 30 CFEDMN C=CCN1C(=O)N=NC1SCC[C@@H]1C[C@H]1C1CC1 ZINC000917210624 624322479 /nfs/dbraw/zinc/32/24/79/624322479.db2.gz SUVRQCPKNZTIHC-MNOVXSKESA-N 0 1 265.382 2.698 20 30 CFEDMN C#C[C@H](NCc1ccc(Cl)c(OC)c1)[C@@H]1CCCO1 ZINC000828954891 624340325 /nfs/dbraw/zinc/34/03/25/624340325.db2.gz YCKRLUYSHROARV-KBPBESRZSA-N 0 1 279.767 2.619 20 30 CFEDMN Cc1cc(F)c(C#N)cc1NC(=O)[C@@H]1CCCN1C(C)C ZINC000828985049 624348116 /nfs/dbraw/zinc/34/81/16/624348116.db2.gz ODESXDZVHRDCML-HNNXBMFYSA-N 0 1 289.354 2.817 20 30 CFEDMN COc1ccc(CNN=C(C)c2ccc(N)cc2)cc1 ZINC000917548495 624357853 /nfs/dbraw/zinc/35/78/53/624357853.db2.gz LFAQQQIOPOCSER-UHFFFAOYSA-N 0 1 269.348 2.791 20 30 CFEDMN O=[N+]([O-])c1ccccc1N=NC1COc2ccc(F)cc21 ZINC000918151425 624423433 /nfs/dbraw/zinc/42/34/33/624423433.db2.gz SQFJPYDLLCOBLP-UHFFFAOYSA-N 0 1 287.250 2.943 20 30 CFEDMN C#CC[C@H]1CCCN(Cc2cn3cccc(C)c3n2)C1 ZINC000829774831 624530990 /nfs/dbraw/zinc/53/09/90/624530990.db2.gz URNHSZVDFDQQHN-HNNXBMFYSA-N 0 1 267.376 2.878 20 30 CFEDMN C#CC[C@H]1CCCN(CC(=O)Nc2ccc(C)cc2C)C1 ZINC000829779106 624532689 /nfs/dbraw/zinc/53/26/89/624532689.db2.gz MXWCLIJYIVJTBH-INIZCTEOSA-N 0 1 284.403 2.977 20 30 CFEDMN C#CC[C@@H]1CCCN([C@@H](C)C(=O)Nc2cccc(C#N)c2)C1 ZINC000829789025 624538269 /nfs/dbraw/zinc/53/82/69/624538269.db2.gz LWUPBKYOCCJPTH-LSDHHAIUSA-N 0 1 295.386 2.621 20 30 CFEDMN C#CC[C@H]1CCC[N@H+](Cc2cc(=O)oc3cc(O)ccc23)C1 ZINC000829789017 624538279 /nfs/dbraw/zinc/53/82/79/624538279.db2.gz LWAROGXNHFZQTB-ZDUSSCGKSA-N 0 1 297.354 2.734 20 30 CFEDMN C#CC[C@H]1CCC[N@@H+](Cc2cc(=O)oc3cc([O-])ccc23)C1 ZINC000829789017 624538280 /nfs/dbraw/zinc/53/82/80/624538280.db2.gz LWAROGXNHFZQTB-ZDUSSCGKSA-N 0 1 297.354 2.734 20 30 CFEDMN C#CC[C@H]1CCC[N@H+](Cc2cc(=O)oc3cc([O-])ccc23)C1 ZINC000829789017 624538282 /nfs/dbraw/zinc/53/82/82/624538282.db2.gz LWAROGXNHFZQTB-ZDUSSCGKSA-N 0 1 297.354 2.734 20 30 CFEDMN C#CC[C@@H]1CCCN(Cc2csc(N(C)C3CC3)n2)C1 ZINC000829789676 624539353 /nfs/dbraw/zinc/53/93/53/624539353.db2.gz ZFNNNZQGVVSCMN-CYBMUJFWSA-N 0 1 289.448 2.977 20 30 CFEDMN C#CC[C@@H]1CCCN(Cc2cnc(OC)c(Cl)c2)C1 ZINC000829805988 624546500 /nfs/dbraw/zinc/54/65/00/624546500.db2.gz YURVRKCILFVMEC-GFCCVEGCSA-N 0 1 278.783 2.979 20 30 CFEDMN C#CC1CCN([C@@H](C)C(=O)N2c3ccccc3C[C@@H]2C)CC1 ZINC000830311862 624706096 /nfs/dbraw/zinc/70/60/96/624706096.db2.gz XYPZBWWZUITYEP-GJZGRUSLSA-N 0 1 296.414 2.698 20 30 CFEDMN C#CC1CCN([C@H](C)C(=O)Nc2cc(F)ccc2C)CC1 ZINC000830316579 624706128 /nfs/dbraw/zinc/70/61/28/624706128.db2.gz YQWSPRXHCVJWDA-CYBMUJFWSA-N 0 1 288.366 2.806 20 30 CFEDMN C#CC1CCN(Cc2ccn(-c3ccccc3)n2)CC1 ZINC000830321414 624707359 /nfs/dbraw/zinc/70/73/59/624707359.db2.gz KUHDFGKRVSWXHH-UHFFFAOYSA-N 0 1 265.360 2.718 20 30 CFEDMN C=C(Br)CN1CCC2(CCC(O)CC2)CC1 ZINC000830330923 624711336 /nfs/dbraw/zinc/71/13/36/624711336.db2.gz ITYPIKWBFOVZJE-UHFFFAOYSA-N 0 1 288.229 2.912 20 30 CFEDMN CC(=NNc1ccc2ccccc2n1)c1cnn(C)c1 ZINC000920826565 624770362 /nfs/dbraw/zinc/77/03/62/624770362.db2.gz PIZXORCPWSXAJD-UHFFFAOYSA-N 0 1 265.320 2.804 20 30 CFEDMN CC(N=Nc1ccc(F)cc1F)c1cnn(C)c1 ZINC000920826487 624770765 /nfs/dbraw/zinc/77/07/65/624770765.db2.gz ONLGZZVUJJHDKH-UHFFFAOYSA-N 0 1 250.252 2.534 20 30 CFEDMN C#CCN1CCN([C@@H](CC)c2ccc(F)cc2)CC1 ZINC000089946859 624808181 /nfs/dbraw/zinc/80/81/81/624808181.db2.gz NBVDUBLTIRQWRB-INIZCTEOSA-N 0 1 260.356 2.528 20 30 CFEDMN N#CC(C(=O)CC1CCCCCC1)C(=O)N1CCCC1 ZINC000175094057 624926190 /nfs/dbraw/zinc/92/61/90/624926190.db2.gz WAWDLRCKWDUTDZ-CQSZACIVSA-N 0 1 276.380 2.678 20 30 CFEDMN C=C1CCC(CNC(=O)c2cccc(-c3nnc[nH]3)c2)CC1 ZINC000830994671 624949828 /nfs/dbraw/zinc/94/98/28/624949828.db2.gz QRVAKRNHPVLJHX-UHFFFAOYSA-N 0 1 296.374 2.948 20 30 CFEDMN Cc1nn(C)c(C)c1CNCc1ccc(O[C@@H](C)C#N)cc1 ZINC000237701065 624971859 /nfs/dbraw/zinc/97/18/59/624971859.db2.gz NDOYMTUIXNCNTA-LBPRGKRZSA-N 0 1 298.390 2.618 20 30 CFEDMN COc1ccc(C(=O)/C=C/c2cccc3nccn32)c(O)c1 ZINC000180315423 625013102 /nfs/dbraw/zinc/01/31/02/625013102.db2.gz LGLPBTIZFXORIB-VMPITWQZSA-N 0 1 294.310 2.945 20 30 CFEDMN COC(=O)C1(C#N)CCN(CCCSCC(C)C)CC1 ZINC000831695999 625098189 /nfs/dbraw/zinc/09/81/89/625098189.db2.gz YDQGBEBAJHUJSQ-UHFFFAOYSA-N 0 1 298.452 2.544 20 30 CFEDMN C[C@H]1CN(C(=O)C(C)(C)C)C[C@H]1NCc1ccccc1C#N ZINC000939584815 625166271 /nfs/dbraw/zinc/16/62/71/625166271.db2.gz HOEXBKJVTQGKCR-XJKSGUPXSA-N 0 1 299.418 2.541 20 30 CFEDMN CC[C@@H](C#N)C(=O)N1CCC[C@H](c2cc(C(C)C)[nH]n2)C1 ZINC000831884003 625166788 /nfs/dbraw/zinc/16/67/88/625166788.db2.gz DKIKYFSWHGMODG-STQMWFEESA-N 0 1 288.395 2.789 20 30 CFEDMN C=C(Cl)CN[C@@H]1CN(C(=O)CC2CCC2)CC1(C)C ZINC000995596381 625743552 /nfs/dbraw/zinc/74/35/52/625743552.db2.gz HBIWYKKNTDNTSO-CYBMUJFWSA-N 0 1 284.831 2.756 20 30 CFEDMN C=C(Cl)CN[C@H]1CN(C(=O)C2(C)CC(=C)C2)CC1(C)C ZINC000996252973 625887593 /nfs/dbraw/zinc/88/75/93/625887593.db2.gz DITHTUVICAWYFT-ZDUSSCGKSA-N 0 1 296.842 2.922 20 30 CFEDMN C=C(C)C[N@H+]1CC[C@@H](NC(=O)c2ccc3cnccc3c2)C1 ZINC001015953543 625901703 /nfs/dbraw/zinc/90/17/03/625901703.db2.gz DYZGBVFDBNOCBV-QGZVFWFLSA-N 0 1 295.386 2.615 20 30 CFEDMN C=C(C)CN1CC[C@@H](NC(=O)c2ccc3cnccc3c2)C1 ZINC001015953543 625901704 /nfs/dbraw/zinc/90/17/04/625901704.db2.gz DYZGBVFDBNOCBV-QGZVFWFLSA-N 0 1 295.386 2.615 20 30 CFEDMN C#Cc1cccc(CN[C@H](C)c2cnc(C)nc2C)c1 ZINC000834904089 625916580 /nfs/dbraw/zinc/91/65/80/625916580.db2.gz VHWBUZQWDURTBF-GFCCVEGCSA-N 0 1 265.360 2.926 20 30 CFEDMN Cc1cc([N-][NH+]=C2CCCc3cc(N)ccc32)nc(C)n1 ZINC000834940704 625929090 /nfs/dbraw/zinc/92/90/90/625929090.db2.gz PVZCGZUOTXFUFI-UHFFFAOYSA-N 0 1 281.363 2.828 20 30 CFEDMN c1ccc2c(c1)CCC(=NNCCN1CCCCC1)CC2 ZINC000834943796 625930381 /nfs/dbraw/zinc/93/03/81/625930381.db2.gz ZYHCKIKPRAVXTE-UHFFFAOYSA-N 0 1 285.435 2.997 20 30 CFEDMN CCCON=Cc1c(C)nn(-c2ccccc2)c1N ZINC000842551634 625933067 /nfs/dbraw/zinc/93/30/67/625933067.db2.gz SRJQAVBXEOYBKP-UHFFFAOYSA-N 0 1 258.325 2.523 20 30 CFEDMN CC1(C)CC(=NNc2ccncn2)c2ccc(O)cc2O1 ZINC000835001348 625951032 /nfs/dbraw/zinc/95/10/32/625951032.db2.gz LSQYUIHUJAMVTA-UHFFFAOYSA-N 0 1 284.319 2.560 20 30 CFEDMN C[C@@H]1CC(N=Nc2ccc(C(=O)[O-])cc2F)C[N@H+]1C1CC1 ZINC000835011498 625958092 /nfs/dbraw/zinc/95/80/92/625958092.db2.gz GTRYXNONNKKXTE-SECBINFHSA-N 0 1 291.326 2.548 20 30 CFEDMN CC[N@H+]1CCC(N=Nc2ccc(C(=O)[O-])cc2F)[C@H](C)C1 ZINC000835012283 625958982 /nfs/dbraw/zinc/95/89/82/625958982.db2.gz OJAVMVOYRYGHQM-SNVBAGLBSA-N 0 1 293.342 2.654 20 30 CFEDMN Cn1ncc2c1CCC[C@@H]2NCc1csc(C#N)c1 ZINC000921526038 625973645 /nfs/dbraw/zinc/97/36/45/625973645.db2.gz CHLOBNPXMQDLHY-ZDUSSCGKSA-N 0 1 272.377 2.520 20 30 CFEDMN N#C[C@@H](NC(=O)c1cc2[nH]cnc2cc1F)C1CCCC1 ZINC000921552537 625985345 /nfs/dbraw/zinc/98/53/45/625985345.db2.gz VIBZQKMCJPEJNA-CQSZACIVSA-N 0 1 286.310 2.514 20 30 CFEDMN C=C(Cl)CN[C@H]1CCCN(C(=O)Cc2cccs2)C1 ZINC000998392189 626047772 /nfs/dbraw/zinc/04/77/72/626047772.db2.gz IBTXXCYPUGVGLI-LBPRGKRZSA-N 0 1 298.839 2.624 20 30 CFEDMN C=C(Cl)CN[C@@H]1CCCN(C(=O)/C=C/c2ccco2)C1 ZINC000998408213 626048247 /nfs/dbraw/zinc/04/82/47/626048247.db2.gz SBUBWDYZWRUDCF-KTRBRXNASA-N 0 1 294.782 2.626 20 30 CFEDMN C=C(Cl)CN[C@H]1CCCN(C(=O)CC2CCCC2)C1 ZINC000998426457 626050012 /nfs/dbraw/zinc/05/00/12/626050012.db2.gz AMMCMPOQLLRDBU-AWEZNQCLSA-N 0 1 284.831 2.900 20 30 CFEDMN CC(=NNCCOC(C)C)c1ccc(Cl)c(N)c1 ZINC000814896744 626059265 /nfs/dbraw/zinc/05/92/65/626059265.db2.gz GREYOIHRRSGIEY-UHFFFAOYSA-N 0 1 269.776 2.661 20 30 CFEDMN C/C=C(/C)C(=O)N1CCC[C@H](NCc2ccccc2C#N)C1 ZINC000998886218 626063946 /nfs/dbraw/zinc/06/39/46/626063946.db2.gz POLSMTMOZILFHD-YQMISUSPSA-N 0 1 297.402 2.605 20 30 CFEDMN C=C(Cl)CN[C@H]1CCCN(C(=O)C2C=CC=CC=C2)C1 ZINC000999280991 626070632 /nfs/dbraw/zinc/07/06/32/626070632.db2.gz NVLMXIPCSOLCMQ-HNNXBMFYSA-N 0 1 292.810 2.618 20 30 CFEDMN C=C(Cl)CN[C@H]1CCCN(C(=O)[C@]2(C)C[C@H]3C[C@H]3C2)C1 ZINC000999795597 626080290 /nfs/dbraw/zinc/08/02/90/626080290.db2.gz JRJBGEGXYAUJRE-FQLMCAECSA-N 0 1 296.842 2.756 20 30 CFEDMN C=C(Cl)CN[C@@H]1CCCN(C(=O)C2(C3CC3)CCC2)C1 ZINC000999816473 626080846 /nfs/dbraw/zinc/08/08/46/626080846.db2.gz ACZTUROLVIVBLJ-CQSZACIVSA-N 0 1 296.842 2.900 20 30 CFEDMN C=C(Cl)CN[C@@H]1CCCN(C(=O)C2(C)CC=CC2)C1 ZINC001000076093 626086745 /nfs/dbraw/zinc/08/67/45/626086745.db2.gz CSBJHHFUNGBPPN-CYBMUJFWSA-N 0 1 282.815 2.676 20 30 CFEDMN C=C(Cl)CN[C@@H]1CCCN(C(=O)c2occc2CC)C1 ZINC001000099964 626087136 /nfs/dbraw/zinc/08/71/36/626087136.db2.gz LRZGNWUQYZUKMR-CYBMUJFWSA-N 0 1 296.798 2.789 20 30 CFEDMN CC(C)Cc1ncc(C=NNCCN2CCCCC2)s1 ZINC000772839902 626090344 /nfs/dbraw/zinc/09/03/44/626090344.db2.gz HOPRMQFPXWJTFK-UHFFFAOYSA-N 0 1 294.468 2.751 20 30 CFEDMN C[C@@H](O)c1ncc(CN=Nc2cc(Cl)ccn2)s1 ZINC000773078272 626099679 /nfs/dbraw/zinc/09/96/79/626099679.db2.gz GWCBFIQJRCCYIJ-SSDOTTSWSA-N 0 1 282.756 2.691 20 30 CFEDMN C=C(Cl)CN[C@@H]1CCCN(C(=O)[C@H](C)C(C)C)C1 ZINC001000356166 626112359 /nfs/dbraw/zinc/11/23/59/626112359.db2.gz NQJLISDTCNBYFM-CHWSQXEVSA-N 0 1 272.820 2.612 20 30 CFEDMN C=C(Cl)CN[C@H]1CCCN(C(=O)[C@@H]2CC23CCCC3)C1 ZINC001000617517 626127627 /nfs/dbraw/zinc/12/76/27/626127627.db2.gz OEMFCGKNAYAJHQ-KBPBESRZSA-N 0 1 296.842 2.900 20 30 CFEDMN C=C(Cl)CN[C@H]1CCCN(C(=O)C(C2CC2)C2CC2)C1 ZINC001000659476 626128185 /nfs/dbraw/zinc/12/81/85/626128185.db2.gz NFOPNUDNFXSQHX-AWEZNQCLSA-N 0 1 296.842 2.756 20 30 CFEDMN CC#CCN1CC=C(CNC(=O)[C@H]2CCCC[C@@H]2C)CC1 ZINC001001099751 626143370 /nfs/dbraw/zinc/14/33/70/626143370.db2.gz LFMMQKQHCWVKGM-RDJZCZTQSA-N 0 1 288.435 2.584 20 30 CFEDMN C=CC[N@@H+]1CC=C(CNC(=O)c2ccc(F)cc2F)CC1 ZINC001001420167 626157863 /nfs/dbraw/zinc/15/78/63/626157863.db2.gz HOCCLFOOMXKGOE-UHFFFAOYSA-N 0 1 292.329 2.513 20 30 CFEDMN C[C@H](O)C(C)(C)NCc1cc(C#N)ccc1Br ZINC000921945452 626183143 /nfs/dbraw/zinc/18/31/43/626183143.db2.gz JKSFCJFDAUKFFU-VIFPVBQESA-N 0 1 297.196 2.570 20 30 CFEDMN C[C@@H](O)C(C)(C)NCc1cc(C#N)ccc1Br ZINC000921945449 626183237 /nfs/dbraw/zinc/18/32/37/626183237.db2.gz JKSFCJFDAUKFFU-SECBINFHSA-N 0 1 297.196 2.570 20 30 CFEDMN N#CCCCNCc1cc(C#N)ccc1Br ZINC000921983827 626190247 /nfs/dbraw/zinc/19/02/47/626190247.db2.gz CAMCQWWBZIUKER-UHFFFAOYSA-N 0 1 278.153 2.714 20 30 CFEDMN CC(C)OCCNCc1cc(C#N)ccc1Br ZINC000921993763 626192346 /nfs/dbraw/zinc/19/23/46/626192346.db2.gz KUGKNKIYQPIXBF-UHFFFAOYSA-N 0 1 297.196 2.835 20 30 CFEDMN N#Cc1ccc2c(c1)CC[C@H]2NCc1cnn(CCF)c1 ZINC000922072218 626203317 /nfs/dbraw/zinc/20/33/17/626203317.db2.gz DUSLBRLIVIHSSP-MRXNPFEDSA-N 0 1 284.338 2.501 20 30 CFEDMN CC#CCN1CCC(NC(=O)c2csc(C)c2C)CC1 ZINC001002908525 626203574 /nfs/dbraw/zinc/20/35/74/626203574.db2.gz YZPJIDUHYKHDJC-UHFFFAOYSA-N 0 1 290.432 2.582 20 30 CFEDMN C#CC[C@@H](CO)NCc1ccc(Cl)c(C)c1Cl ZINC000922141041 626216480 /nfs/dbraw/zinc/21/64/80/626216480.db2.gz OUEVOKUQUZQNGS-NSHDSACASA-N 0 1 272.175 2.776 20 30 CFEDMN N#Cc1ccc(CNCc2cnn(C3CCC3)c2)cc1F ZINC000922168451 626229103 /nfs/dbraw/zinc/22/91/03/626229103.db2.gz QTXHFKZMACSPPE-UHFFFAOYSA-N 0 1 284.338 2.909 20 30 CFEDMN N#Cc1cc(CNCc2cccc3c2CCOC3)cs1 ZINC000922309264 626265094 /nfs/dbraw/zinc/26/50/94/626265094.db2.gz UXDOHUQUZBMFCK-UHFFFAOYSA-N 0 1 284.384 2.982 20 30 CFEDMN C#CCN1CCC(NC(=O)C[C@H]2CCCC(C)(C)C2)CC1 ZINC001003976424 626275784 /nfs/dbraw/zinc/27/57/84/626275784.db2.gz RPFGHJMCBOKFIS-OAHLLOKOSA-N 0 1 290.451 2.807 20 30 CFEDMN CC#CCN1CCC(NC(=O)c2ccc(Cl)s2)CC1 ZINC001004094076 626282666 /nfs/dbraw/zinc/28/26/66/626282666.db2.gz FQPLPEKEWUZQGX-UHFFFAOYSA-N 0 1 296.823 2.619 20 30 CFEDMN CC#CCN1CCC(NC(=O)c2cccc(C3CC3)c2)CC1 ZINC001004220265 626313229 /nfs/dbraw/zinc/31/32/29/626313229.db2.gz CXCRNXFFVFHGGS-UHFFFAOYSA-N 0 1 296.414 2.782 20 30 CFEDMN CC#CCN1CCC(NC(=O)C2CCC(C)(C)CC2)CC1 ZINC001004225759 626313486 /nfs/dbraw/zinc/31/34/86/626313486.db2.gz IFQVOPJLBIJGON-UHFFFAOYSA-N 0 1 290.451 2.807 20 30 CFEDMN C[C@H]1CC[C@H](C)N1CC(=O)OCC1CCC(C#N)CC1 ZINC000922661763 626336716 /nfs/dbraw/zinc/33/67/16/626336716.db2.gz CXHQTSXJEJDHIW-HESLUPGFSA-N 0 1 278.396 2.732 20 30 CFEDMN N#Cc1ccc(CNC[C@@H]2CCC[C@H](C(F)(F)F)O2)o1 ZINC000922696976 626343976 /nfs/dbraw/zinc/34/39/76/626343976.db2.gz MDSOKBSEJBFYAJ-CMPLNLGQSA-N 0 1 288.269 2.741 20 30 CFEDMN CCc1ncc(CNCc2ccc(C)c(C#N)c2)cn1 ZINC000922759155 626359627 /nfs/dbraw/zinc/35/96/27/626359627.db2.gz FNZQNXQAGAAZOM-UHFFFAOYSA-N 0 1 266.348 2.509 20 30 CFEDMN CCCCCCCC(=O)N1CCN(CC(C)(C)O)C[C@@H]1C ZINC000186960861 626408149 /nfs/dbraw/zinc/40/81/49/626408149.db2.gz UTDDRMJGQPCOPM-HNNXBMFYSA-N 0 1 298.471 2.651 20 30 CFEDMN C#CCC1(NCc2cn(CCC)nn2)CCCCC1 ZINC000922981857 626439271 /nfs/dbraw/zinc/43/92/71/626439271.db2.gz SIKZYUKMELJNJW-UHFFFAOYSA-N 0 1 260.385 2.504 20 30 CFEDMN C#CCC1(NCc2ccncc2Br)CCC1 ZINC000922997783 626441106 /nfs/dbraw/zinc/44/11/06/626441106.db2.gz COJBUXRGCKZQJR-UHFFFAOYSA-N 0 1 279.181 2.880 20 30 CFEDMN CC(C)CCCCC(=O)C(C#N)C(=O)NC1CCCC1 ZINC000838791549 626507030 /nfs/dbraw/zinc/50/70/30/626507030.db2.gz SBSPTEFECNHAFC-CQSZACIVSA-N 0 1 278.396 2.970 20 30 CFEDMN C[C@@]1(C(=O)C(C#N)c2cnc3ccccc3n2)CCCCO1 ZINC000838867629 626512242 /nfs/dbraw/zinc/51/22/42/626512242.db2.gz BLNZUQHNGNMTFM-PXAZEXFGSA-N 0 1 295.342 2.765 20 30 CFEDMN N#Cc1ccc(CNCc2ccc3c(n2)CCC3)cc1 ZINC000838903752 626512972 /nfs/dbraw/zinc/51/29/72/626512972.db2.gz BCLGVRMCCQKMOJ-UHFFFAOYSA-N 0 1 263.344 2.732 20 30 CFEDMN N#Cc1ccc(O)c(NC(=O)CC(F)(F)C(F)(F)F)c1 ZINC000867013209 626538107 /nfs/dbraw/zinc/53/81/07/626538107.db2.gz OIQRYBUGFBYAND-UHFFFAOYSA-N 0 1 294.179 2.790 20 30 CFEDMN C/C=C(\CC)C(=O)OCC(=O)[C@@H](C#N)c1nc(C)cs1 ZINC000789226701 626539344 /nfs/dbraw/zinc/53/93/44/626539344.db2.gz ICCPQQHORDCGFT-LLMHMKPQSA-N 0 1 292.360 2.527 20 30 CFEDMN C/C=C(\CC)C(=O)OCC(=O)C(C#N)c1nc(C)cs1 ZINC000789226701 626539345 /nfs/dbraw/zinc/53/93/45/626539345.db2.gz ICCPQQHORDCGFT-LLMHMKPQSA-N 0 1 292.360 2.527 20 30 CFEDMN C#CC[C@H](NCc1cccc(C(N)=O)c1)c1ccccc1 ZINC000756997203 626543329 /nfs/dbraw/zinc/54/33/29/626543329.db2.gz WGNWKSMQIUSVSM-KRWDZBQOSA-N 0 1 278.355 2.640 20 30 CFEDMN C=CCN(CC=C)C(=O)CNC(C)(C)c1ccc(F)cc1 ZINC000103483413 626546999 /nfs/dbraw/zinc/54/69/99/626546999.db2.gz NUSMWLCGSUBYHD-UHFFFAOYSA-N 0 1 290.382 2.851 20 30 CFEDMN CC[C@@H]1CC[C@H](C(=O)C(C#N)c2nc(C)cs2)O1 ZINC000757295291 626547724 /nfs/dbraw/zinc/54/77/24/626547724.db2.gz LHHBBMBVXRCOMK-GMTAPVOTSA-N 0 1 264.350 2.585 20 30 CFEDMN Cc1cc(N=NC2C[C@@H](C)N(Cc3ccccc3)C2)ncn1 ZINC000757573457 626555583 /nfs/dbraw/zinc/55/55/83/626555583.db2.gz AEOVZKWRIDEZPO-CQSZACIVSA-N 0 1 295.390 2.847 20 30 CFEDMN C[C@H]1CC(N=Nc2cccnn2)CN1Cc1ccccc1 ZINC000757583476 626555834 /nfs/dbraw/zinc/55/58/34/626555834.db2.gz DGMSYFUOTOMRIK-ZDUSSCGKSA-N 0 1 281.363 2.539 20 30 CFEDMN CC(=NNC1CCOCC1)c1[nH]c(-c2ccccc2)nc1C ZINC000757598536 626556237 /nfs/dbraw/zinc/55/62/37/626556237.db2.gz MWLXEMZZNQCQLX-UHFFFAOYSA-N 0 1 298.390 2.878 20 30 CFEDMN C=CCOCC[NH2+][C@@H](C)c1cc(Cl)ccc1[O-] ZINC000757638010 626556887 /nfs/dbraw/zinc/55/68/87/626556887.db2.gz KWIKXEGRKKLLIH-JTQLQIEISA-N 0 1 255.745 2.899 20 30 CFEDMN C=CC[C@H](CO)NCc1c(C)nn(CCCC)c1Cl ZINC000758003282 626572198 /nfs/dbraw/zinc/57/21/98/626572198.db2.gz KRTJNPPXVICXEK-GFCCVEGCSA-N 0 1 285.819 2.672 20 30 CFEDMN Oc1cc(Cl)c(CN=Nc2ncccn2)cc1Cl ZINC000758098296 626576059 /nfs/dbraw/zinc/57/60/59/626576059.db2.gz QQNXBQNXRYTQOM-UHFFFAOYSA-N 0 1 283.118 2.935 20 30 CFEDMN CC(C)(C)c1noc(C=NNc2ccccc2F)n1 ZINC000758103858 626576585 /nfs/dbraw/zinc/57/65/85/626576585.db2.gz MGQOPXAWZHALMS-UHFFFAOYSA-N 0 1 262.288 2.952 20 30 CFEDMN Oc1cc(Cl)c(C=NNCC(F)F)cc1Cl ZINC000758110868 626576939 /nfs/dbraw/zinc/57/69/39/626576939.db2.gz RBQNMDPITAJIBQ-UHFFFAOYSA-N 0 1 269.078 2.888 20 30 CFEDMN C[C@@H](CC#N)NN=Cc1cc(Cl)c(O)cc1Cl ZINC000758117758 626577399 /nfs/dbraw/zinc/57/73/99/626577399.db2.gz HFDICCVFUIGOGD-ZETCQYMHSA-N 0 1 272.135 2.925 20 30 CFEDMN Cc1ccc(NN=Cc2nc(Cl)cs2)nc1 ZINC000758119304 626577495 /nfs/dbraw/zinc/57/74/95/626577495.db2.gz CSQYRPHPHXDOHU-UHFFFAOYSA-N 0 1 252.730 2.946 20 30 CFEDMN Cc1ccc([N-]N=Cc2nc(Cl)cs2)[nH+]c1 ZINC000758119304 626577496 /nfs/dbraw/zinc/57/74/96/626577496.db2.gz CSQYRPHPHXDOHU-UHFFFAOYSA-N 0 1 252.730 2.946 20 30 CFEDMN C[C@@H]1CCN(Cn2cccc(C#N)c2=O)[C@H]2CCCC[C@@H]12 ZINC000758202606 626582143 /nfs/dbraw/zinc/58/21/43/626582143.db2.gz AEVMSSFSHQZECH-KBMXLJTQSA-N 0 1 285.391 2.578 20 30 CFEDMN CCCCN(CCCC)Cn1ccc(C)c(C#N)c1=O ZINC000758207296 626582503 /nfs/dbraw/zinc/58/25/03/626582503.db2.gz SVSWBYUNADGVSE-UHFFFAOYSA-N 0 1 275.396 2.888 20 30 CFEDMN CCCCCCCN1CC(=O)N[C@@H]2CCCC[C@H]21 ZINC000758775359 626608322 /nfs/dbraw/zinc/60/83/22/626608322.db2.gz UXVZDNZMANSTQT-ZIAGYGMSSA-N 0 1 252.402 2.700 20 30 CFEDMN CC(=[NH+][N-]c1cccnn1)c1ccc(F)cc1N(C)C ZINC000759195929 626635317 /nfs/dbraw/zinc/63/53/17/626635317.db2.gz KJJSHTWMNTYYJW-UHFFFAOYSA-N 0 1 273.315 2.518 20 30 CFEDMN C#CCN1CCC[C@@H]1COC(=O)C[C@H](C=C)c1ccccc1 ZINC000759323733 626645005 /nfs/dbraw/zinc/64/50/05/626645005.db2.gz JAYRVLKZYCOITP-FUHWJXTLSA-N 0 1 297.398 2.987 20 30 CFEDMN CC[C@@H](C(=O)OCc1cc(F)ccc1C#N)N(CC)CC ZINC000759360485 626649933 /nfs/dbraw/zinc/64/99/33/626649933.db2.gz ALQFISBCJFUVEL-HNNXBMFYSA-N 0 1 292.354 2.861 20 30 CFEDMN COc1cccc(NC(=O)C(C#N)C(=O)CC2(C)CC2)c1 ZINC000759431622 626657652 /nfs/dbraw/zinc/65/76/52/626657652.db2.gz MBZWUUPCQZPGQU-ZDUSSCGKSA-N 0 1 286.331 2.533 20 30 CFEDMN COc1ccccc1NC(=O)C(C#N)C(=O)CC1(C)CC1 ZINC000759432568 626657830 /nfs/dbraw/zinc/65/78/30/626657830.db2.gz XFOIPDMCBLIKEC-LLVKDONJSA-N 0 1 286.331 2.533 20 30 CFEDMN C=C[C@H](CC(=O)OCc1n[nH]c(C)n1)c1ccccc1 ZINC000759444661 626659533 /nfs/dbraw/zinc/65/95/33/626659533.db2.gz XQCAUIPNINEMLO-GFCCVEGCSA-N 0 1 271.320 2.516 20 30 CFEDMN N#Cc1cnc(NC(=O)c2cn[nH]c2-c2ccccc2)s1 ZINC000759626550 626677453 /nfs/dbraw/zinc/67/74/53/626677453.db2.gz JKIFNZSVBFRKNU-UHFFFAOYSA-N 0 1 295.327 2.657 20 30 CFEDMN Cc1ccc(F)c(N=NCc2ccc(C(=O)N(C)C)[nH]2)c1 ZINC000759663347 626680900 /nfs/dbraw/zinc/68/09/00/626680900.db2.gz CGGFXVUIOQUXRZ-UHFFFAOYSA-N 0 1 288.326 2.610 20 30 CFEDMN Cc1cc(NN=Cc2cnc(Cl)c(C)c2)nc(C)n1 ZINC000760241189 626722831 /nfs/dbraw/zinc/72/28/31/626722831.db2.gz AMMIBBJIYUPJSL-UHFFFAOYSA-N 0 1 275.743 2.896 20 30 CFEDMN CC#CCCOC(=O)c1cc(-c2ccc(C)o2)n[nH]1 ZINC000760291582 626730876 /nfs/dbraw/zinc/73/08/76/626730876.db2.gz GSRXOYGUZDBWGS-UHFFFAOYSA-N 0 1 258.277 2.548 20 30 CFEDMN N#CC(C(=O)CCc1cccc(F)c1F)c1ccncn1 ZINC000760340060 626736392 /nfs/dbraw/zinc/73/63/92/626736392.db2.gz LPMPFZQQNFJSJG-LLVKDONJSA-N 0 1 287.269 2.564 20 30 CFEDMN N#CC(=C(O)C=CC1CCCCC1)c1ccncn1 ZINC000760356097 626739317 /nfs/dbraw/zinc/73/93/17/626739317.db2.gz FHWBVPMQZRCNHS-KTRBRXNASA-N 0 1 255.321 2.789 20 30 CFEDMN Cn1ccnc1NN=C1CCc2cc(Cl)ccc21 ZINC000790299678 626740663 /nfs/dbraw/zinc/74/06/63/626740663.db2.gz GZQQZDGNOHBXJC-UHFFFAOYSA-N 0 1 260.728 2.836 20 30 CFEDMN C=CCCCCCCNC(=O)c1ccc2[nH]nnc2c1 ZINC000805221242 626815263 /nfs/dbraw/zinc/81/52/63/626815263.db2.gz MWOFRIWNPOWYDS-UHFFFAOYSA-N 0 1 272.352 2.824 20 30 CFEDMN C=CCCCCCCNC(=O)C(C)(C)c1cnc[nH]1 ZINC000805221346 626816877 /nfs/dbraw/zinc/81/68/77/626816877.db2.gz PFOGQDKIIFEYJD-UHFFFAOYSA-N 0 1 263.385 2.940 20 30 CFEDMN Cc1ccc(NN=Cc2cnc(C3CC3)s2)nn1 ZINC000761811432 626860482 /nfs/dbraw/zinc/86/04/82/626860482.db2.gz ZYKCDEJAJMDJEF-UHFFFAOYSA-N 0 1 259.338 2.565 20 30 CFEDMN C[C@@H]1CC(N=Nc2cccc(Cl)c2F)CN1C ZINC000761813234 626860506 /nfs/dbraw/zinc/86/05/06/626860506.db2.gz VGNMMYSMWPVGDD-MRVPVSSYSA-N 0 1 255.724 2.971 20 30 CFEDMN COc1cc(CN=Nc2cnn(C)c2)ccc1SC ZINC000761868058 626867073 /nfs/dbraw/zinc/86/70/73/626867073.db2.gz GEOVEAMKDWSMNE-UHFFFAOYSA-N 0 1 276.365 2.597 20 30 CFEDMN Cn1cc(N=NCc2ccc(OCC(F)F)cc2)cn1 ZINC000761866929 626867229 /nfs/dbraw/zinc/86/72/29/626867229.db2.gz NKPXJCPDDCQZNQ-UHFFFAOYSA-N 0 1 280.278 2.510 20 30 CFEDMN Cn1cc(N=NCc2ccc3c(c2)CC(C)(C)O3)cn1 ZINC000761880573 626869371 /nfs/dbraw/zinc/86/93/71/626869371.db2.gz GJPUFYMALIYXSO-UHFFFAOYSA-N 0 1 270.336 2.580 20 30 CFEDMN C#C[C@H](NCc1cc2c(cc1OC)OCO2)C(C)(C)C ZINC000809781476 626911354 /nfs/dbraw/zinc/91/13/54/626911354.db2.gz SPMLWXCFCOEREU-HNNXBMFYSA-N 0 1 275.348 2.561 20 30 CFEDMN COC(CCN1CCC[C@@H]1[C@@H](C#N)c1ccccc1)OC ZINC000851793453 634533411 /nfs/dbraw/zinc/53/34/11/634533411.db2.gz DQXJYCIDNCWYFJ-JKSUJKDBSA-N 0 1 288.391 2.767 20 30 CFEDMN C[C@@H]1CC/C(=C\C(=O)Nc2cc(C#N)ccc2O)C1 ZINC000762816902 626940159 /nfs/dbraw/zinc/94/01/59/626940159.db2.gz DLGITVHLGSOORA-MXBGMFSPSA-N 0 1 256.305 2.949 20 30 CFEDMN Cc1noc(C)c1CN=Nc1ncnc2ccsc21 ZINC000764842358 627100752 /nfs/dbraw/zinc/10/07/52/627100752.db2.gz ZEKOEVLSGVCYDA-UHFFFAOYSA-N 0 1 273.321 2.742 20 30 CFEDMN C#CCN(CC)C(=O)[C@@H]1CCCCN1Cc1ccccc1 ZINC000764877259 627104096 /nfs/dbraw/zinc/10/40/96/627104096.db2.gz FPSMFMSNHXHSTE-KRWDZBQOSA-N 0 1 284.403 2.523 20 30 CFEDMN C[C@@H]1CC(=NC(=O)c2cc3c(cccc3F)s2)NO1 ZINC000765375151 627133272 /nfs/dbraw/zinc/13/32/72/627133272.db2.gz GJGFUBQSYFTLFD-SSDOTTSWSA-N 0 1 278.308 2.893 20 30 CFEDMN C[C@@H]1CC(=NC(=O)c2ccc(Cl)c3cccnc23)NO1 ZINC000765378170 627133696 /nfs/dbraw/zinc/13/36/96/627133696.db2.gz ADAGTUTWPDZAHI-MRVPVSSYSA-N 0 1 289.722 2.740 20 30 CFEDMN C[C@@H]1CC(=NC(=O)c2ccc(C(C)(C)C)s2)NO1 ZINC000765385577 627134738 /nfs/dbraw/zinc/13/47/38/627134738.db2.gz VDYIVEZGJFVQFF-MRVPVSSYSA-N 0 1 266.366 2.898 20 30 CFEDMN C[C@H]1CC(C)(C)CC1=NNCCN1CCCCC1 ZINC000766012345 627171117 /nfs/dbraw/zinc/17/11/17/627171117.db2.gz WTBIXKFSSQKIHL-ZDUSSCGKSA-N 0 1 251.418 2.874 20 30 CFEDMN CCCCCCCC(=O)N1CCN(C)CC1(C)C ZINC000766612969 627211061 /nfs/dbraw/zinc/21/10/61/627211061.db2.gz HHKCJLIKLQPPEO-UHFFFAOYSA-N 0 1 254.418 2.900 20 30 CFEDMN CC[C@H](C)C[N@@H+](CC)Cn1cc2c(c(C#N)c1=O)CCC2 ZINC000766636379 627212365 /nfs/dbraw/zinc/21/23/65/627212365.db2.gz FZORROPOPOQDCF-ZDUSSCGKSA-N 0 1 287.407 2.534 20 30 CFEDMN CC[C@H](C)CN(CC)Cn1cc2c(c(C#N)c1=O)CCC2 ZINC000766636379 627212367 /nfs/dbraw/zinc/21/23/67/627212367.db2.gz FZORROPOPOQDCF-ZDUSSCGKSA-N 0 1 287.407 2.534 20 30 CFEDMN Cc1cncc(C(=O)/C=C/c2cc(O)ccc2[N+](=O)[O-])c1 ZINC000767366412 627245793 /nfs/dbraw/zinc/24/57/93/627245793.db2.gz KCLWICMVDQQZGC-GORDUTHDSA-N 0 1 284.271 2.900 20 30 CFEDMN C=CCOC(=O)CSc1nc(-c2ccc(C)cc2)n[nH]1 ZINC000767424081 627250267 /nfs/dbraw/zinc/25/02/67/627250267.db2.gz PTHMVEKSBSIBEH-UHFFFAOYSA-N 0 1 289.360 2.601 20 30 CFEDMN C(=NNc1cnc2ccccc2n1)c1cncs1 ZINC000767783687 627284708 /nfs/dbraw/zinc/28/47/08/627284708.db2.gz WWWNDUWBZNCNLT-UHFFFAOYSA-N 0 1 255.306 2.532 20 30 CFEDMN COc1cccc(O)c1CN(C)Cc1ccc(C#N)cc1 ZINC000768261655 627329122 /nfs/dbraw/zinc/32/91/22/627329122.db2.gz FSVMUHJXUDDJBY-UHFFFAOYSA-N 0 1 282.343 2.904 20 30 CFEDMN CCCC[C@@H](ON=C(C)C)C(=O)N1CCN(C)CC1(C)C ZINC000768370400 627337673 /nfs/dbraw/zinc/33/76/73/627337673.db2.gz JFQXMUVBPTZYIK-CQSZACIVSA-N 0 1 297.443 2.510 20 30 CFEDMN C=C1CCN(Cc2ccc(N3CCOCC3)c(F)c2)CC1 ZINC000769338629 627426355 /nfs/dbraw/zinc/42/63/55/627426355.db2.gz MTYNCGYOVFPCSW-UHFFFAOYSA-N 0 1 290.382 2.814 20 30 CFEDMN C[C@H](C#N)Oc1ccc(CN2CCOC(C)(C)[C@@H]2C)cc1 ZINC000769452284 627441070 /nfs/dbraw/zinc/44/10/70/627441070.db2.gz UZRZJLVCNAOXFE-KGLIPLIRSA-N 0 1 288.391 2.977 20 30 CFEDMN Cc1cc(N=NC(C)c2ccccc2N(C)C)ncn1 ZINC000769583518 627457783 /nfs/dbraw/zinc/45/77/83/627457783.db2.gz CZAVHDMCINGDNG-UHFFFAOYSA-N 0 1 269.352 2.687 20 30 CFEDMN CCn1nc(C=NNc2cccc(OC)n2)c2ccccc21 ZINC000769798077 627475495 /nfs/dbraw/zinc/47/54/95/627475495.db2.gz JATSTKUXYXWPRB-UHFFFAOYSA-N 0 1 295.346 2.906 20 30 CFEDMN C#C[C@@H](C)N(C)Cc1ccc(C(=O)OC(C)C)cc1 ZINC000769960956 627490215 /nfs/dbraw/zinc/49/02/15/627490215.db2.gz HLZYYIGQVNCOFA-CYBMUJFWSA-N 0 1 259.349 2.705 20 30 CFEDMN C[C@H](C#N)COC(=O)c1ccc(-c2nnc(C3CC3)[nH]2)cc1 ZINC000770899715 627555890 /nfs/dbraw/zinc/55/58/90/627555890.db2.gz ILFWZXCOHVLOPA-SNVBAGLBSA-N 0 1 296.330 2.666 20 30 CFEDMN CC(=NNC[C@@H](C)C#N)c1[nH]c(-c2ccccc2)nc1C ZINC000771112145 627578659 /nfs/dbraw/zinc/57/86/59/627578659.db2.gz LHMKYTOAIXXJEA-NSHDSACASA-N 0 1 281.363 2.858 20 30 CFEDMN CCCCCCCC(=O)N1CCN(C)[C@@H](C)[C@@H]1C ZINC000771409313 627602840 /nfs/dbraw/zinc/60/28/40/627602840.db2.gz XYEBVHCOLNVICB-KBPBESRZSA-N 0 1 254.418 2.898 20 30 CFEDMN C#CCCN(CC(F)(F)F)C(=O)c1c(O)cccc1F ZINC000772260181 627693027 /nfs/dbraw/zinc/69/30/27/627693027.db2.gz BEBXMWVOIMHFCX-UHFFFAOYSA-N 0 1 289.228 2.559 20 30 CFEDMN Cc1cc(N=NCc2ccc(C#N)cc2F)nc(C)n1 ZINC000772841903 627750880 /nfs/dbraw/zinc/75/08/80/627750880.db2.gz YNPXWVFAFNRDGZ-UHFFFAOYSA-N 0 1 269.283 2.550 20 30 CFEDMN C[C@H](O)c1ncc(C=NNc2cnc3ccccc3n2)s1 ZINC000773055725 627775459 /nfs/dbraw/zinc/77/54/59/627775459.db2.gz QXRNOMHTUIRULO-VIFPVBQESA-N 0 1 299.359 2.586 20 30 CFEDMN CCC(=NNC1=N[C@@H]2CCCC[C@H]2N1)c1ccc(C#N)cc1 ZINC000773067428 627777623 /nfs/dbraw/zinc/77/76/23/627777623.db2.gz HTYWSPYXHPLOJM-HZPDHXFCSA-N 0 1 295.390 2.532 20 30 CFEDMN CS[C@@H](C)CCC(=O)C(C#N)C(=O)NC1CCCCC1 ZINC000773770739 627857368 /nfs/dbraw/zinc/85/73/68/627857368.db2.gz PCPIVLDVPCAFBR-WCQYABFASA-N 0 1 296.436 2.676 20 30 CFEDMN CCCCCCNC(=O)C(C#N)C(=O)C1(F)CCCC1 ZINC000773968049 627874466 /nfs/dbraw/zinc/87/44/66/627874466.db2.gz CSTXAMBASAMWET-GFCCVEGCSA-N 0 1 282.359 2.674 20 30 CFEDMN C[C@H](CC(C)(C)C)C(=O)C(C#N)C(=O)NC1CCCC1 ZINC000773983803 627876031 /nfs/dbraw/zinc/87/60/31/627876031.db2.gz OOXSHWRVSZZHDS-DGCLKSJQSA-N 0 1 278.396 2.826 20 30 CFEDMN CC1(C)CCC[C@H]1C(=O)[C@H](C#N)C(=O)Nc1ccccn1 ZINC000773990720 627876942 /nfs/dbraw/zinc/87/69/42/627876942.db2.gz WIMQYLWHUIKIMB-RYUDHWBXSA-N 0 1 285.347 2.555 20 30 CFEDMN C[C@@H](N[C@H](C)c1ccc(OCC#N)cc1)c1ccnn1C ZINC000774237595 627907718 /nfs/dbraw/zinc/90/77/18/627907718.db2.gz UFVBUFFUUZYWMC-CHWSQXEVSA-N 0 1 284.363 2.734 20 30 CFEDMN Oc1c(F)cc(Cl)cc1C=NOC1CCOCC1 ZINC000774436779 627925527 /nfs/dbraw/zinc/92/55/27/627925527.db2.gz ZOLYJFGCDNNWDC-UHFFFAOYSA-N 0 1 273.691 2.714 20 30 CFEDMN C=CCCC[N@H+](C)Cc1ccc([N+](=O)[O-])c(OC)c1[O-] ZINC000774905474 627978331 /nfs/dbraw/zinc/97/83/31/627978331.db2.gz ODQADPXQKNKRMD-UHFFFAOYSA-N 0 1 280.324 2.707 20 30 CFEDMN C#C[C@@H](NCc1cnc2ccccc2c1)[C@@H]1CCCO1 ZINC000775343346 628012350 /nfs/dbraw/zinc/01/23/50/628012350.db2.gz WEHDWOWEZBTROQ-WBVHZDCISA-N 0 1 266.344 2.505 20 30 CFEDMN C#C[C@@H](NCc1cccc(C(F)(F)F)c1)[C@H]1CCCO1 ZINC000775343011 628012726 /nfs/dbraw/zinc/01/27/26/628012726.db2.gz UQBYMSIUXOLSMP-ZIAGYGMSSA-N 0 1 283.293 2.976 20 30 CFEDMN C#C[C@H](N[C@@H](CC)c1cccc([N+](=O)[O-])c1)[C@H]1CCCO1 ZINC000775572029 628040329 /nfs/dbraw/zinc/04/03/29/628040329.db2.gz NYXHSSBLHBMXIJ-HRCADAONSA-N 0 1 288.347 2.816 20 30 CFEDMN C#C[C@H](N[C@@H](C)c1ccc(C)c([N+](=O)[O-])c1)[C@@H]1CCCO1 ZINC000775575798 628042413 /nfs/dbraw/zinc/04/24/13/628042413.db2.gz YTOPCLJAFOKSRD-NOLJZWGESA-N 0 1 288.347 2.735 20 30 CFEDMN C#CCOCCN1CC[C@](F)(c2ccccc2C)C1 ZINC000852014043 634626236 /nfs/dbraw/zinc/62/62/36/634626236.db2.gz AQZCDTNREWKWRN-MRXNPFEDSA-N 0 1 261.340 2.515 20 30 CFEDMN C#C[C@H](NCc1ccccc1SC)[C@@H]1CCCO1 ZINC000775794076 628068813 /nfs/dbraw/zinc/06/88/13/628068813.db2.gz OJMMVZJUWXMWDH-KBPBESRZSA-N 0 1 261.390 2.679 20 30 CFEDMN C#CCOc1ccccc1NC(=O)CN1[C@H](C)CC[C@H]1C ZINC000775940385 628086710 /nfs/dbraw/zinc/08/67/10/628086710.db2.gz GFFJKYZZVTZAHV-ZIAGYGMSSA-N 0 1 286.375 2.510 20 30 CFEDMN CC[C@@]1(C)COCCN1Cc1ccc(O[C@@H](C)C#N)cc1 ZINC000775981637 628090285 /nfs/dbraw/zinc/09/02/85/628090285.db2.gz SDLMXXMUHZLNFK-YOEHRIQHSA-N 0 1 288.391 2.978 20 30 CFEDMN Fc1cc(Cl)cc(C=NNC2=N[C@@H]3CCCC[C@H]3N2)c1 ZINC000776727080 628171544 /nfs/dbraw/zinc/17/15/44/628171544.db2.gz ZLJKMYBZSQZHDY-CHWSQXEVSA-N 0 1 294.761 2.673 20 30 CFEDMN CC(C)(C#N)CC[N@H+]1CC[C@@](O)(c2ccc(F)cc2)C1 ZINC000777737082 628250408 /nfs/dbraw/zinc/25/04/08/628250408.db2.gz JGQWDNRTSRPRPL-INIZCTEOSA-N 0 1 276.355 2.659 20 30 CFEDMN CCN(CC)c1ccc(C=NN[C@@H](C)COC)cc1F ZINC000777895526 628262534 /nfs/dbraw/zinc/26/25/34/628262534.db2.gz ZWJVMUHRKNRQIH-LBPRGKRZSA-N 0 1 281.375 2.630 20 30 CFEDMN COC(=O)c1ccc(C=NNc2cc(Cl)ccn2)o1 ZINC000777905739 628263930 /nfs/dbraw/zinc/26/39/30/628263930.db2.gz NZMKVAXJIGJWQA-UHFFFAOYSA-N 0 1 279.683 2.561 20 30 CFEDMN C#CCOc1cccc(Cl)c1CNC[C@@H](O)CC(C)C ZINC000778161055 628281679 /nfs/dbraw/zinc/28/16/79/628281679.db2.gz HZQQPLJFWQWLRP-ZDUSSCGKSA-N 0 1 295.810 2.849 20 30 CFEDMN N#Cc1cccc(C2(NCc3ccc(F)nc3)CC2)c1 ZINC000778172178 628283480 /nfs/dbraw/zinc/28/34/80/628283480.db2.gz YBCGKCQQHXIOGY-UHFFFAOYSA-N 0 1 267.307 2.871 20 30 CFEDMN C=CCN(CCNC(=O)OC(C)(C)C)CCc1ccco1 ZINC000778995707 628344039 /nfs/dbraw/zinc/34/40/39/628344039.db2.gz CARKCYYFRBOLDP-UHFFFAOYSA-N 0 1 294.395 2.835 20 30 CFEDMN Cc1cnc(C(=O)Nc2ccccc2O[C@H](C)C#N)c(O)c1 ZINC000779065467 628349437 /nfs/dbraw/zinc/34/94/37/628349437.db2.gz RJIHYCUUAUAQQE-LLVKDONJSA-N 0 1 297.314 2.639 20 30 CFEDMN C#CCOc1cccc(Cl)c1CN1CCC[C@H](CO)C1 ZINC000779148011 628355304 /nfs/dbraw/zinc/35/53/04/628355304.db2.gz KHBUADSFLARKCQ-ZDUSSCGKSA-N 0 1 293.794 2.556 20 30 CFEDMN C#CCOc1ccc(CN2CC[C@@H](C)[C@@H](F)C2)cc1 ZINC000779151118 628356397 /nfs/dbraw/zinc/35/63/97/628356397.db2.gz VKUFETKNJIUBJU-CJNGLKHVSA-N 0 1 261.340 2.879 20 30 CFEDMN C#CCOc1cccc(Cl)c1CN1C[C@@H](O)[C@@H](CC)C1 ZINC000779168235 628357587 /nfs/dbraw/zinc/35/75/87/628357587.db2.gz MRRJTPBLSPDCAO-SWLSCSKDSA-N 0 1 293.794 2.555 20 30 CFEDMN C=CCN(C)Cc1cc2ccccc2nc1N1CCOCC1 ZINC000779188532 628359147 /nfs/dbraw/zinc/35/91/47/628359147.db2.gz SHFRVXQRWGBCMJ-UHFFFAOYSA-N 0 1 297.402 2.689 20 30 CFEDMN C#C[C@@](C)(CC)N[C@@H](C)C(=O)N(CC)c1ccccc1 ZINC000852097119 634651183 /nfs/dbraw/zinc/65/11/83/634651183.db2.gz LTKGBSMDQVCYDM-YOEHRIQHSA-N 0 1 272.392 2.820 20 30 CFEDMN C#C[C@@](C)(CC)N[C@@H](C)C(=O)N1CCCc2ccccc21 ZINC000852098284 634651675 /nfs/dbraw/zinc/65/16/75/634651675.db2.gz IXTYXCSEHIPQOF-KSSFIOAISA-N 0 1 284.403 2.746 20 30 CFEDMN C[C@H]1CN=C(NN=C(CC(C)(C)C)c2ccc(F)cc2)N1 ZINC000779788209 628404844 /nfs/dbraw/zinc/40/48/44/628404844.db2.gz XDRQIUJOQUHWGS-NSHDSACASA-N 0 1 290.386 2.903 20 30 CFEDMN C#C[C@](C)(CC)N[C@@H](C)C(=O)Nc1cc(F)ccc1F ZINC000852099011 634653313 /nfs/dbraw/zinc/65/33/13/634653313.db2.gz BDZFOXWNDRXSDZ-ZUZCIYMTSA-N 0 1 280.318 2.683 20 30 CFEDMN CCC(N=Nc1ccncc1)c1ccc2c(c1)CCO2 ZINC000779810461 628409116 /nfs/dbraw/zinc/40/91/16/628409116.db2.gz BRZNIGDEHUFMIR-UHFFFAOYSA-N 0 1 267.332 2.665 20 30 CFEDMN C#C[C@@](C)(CC)NCC(=O)Nc1ccc(N2CCCC2)cc1 ZINC000852099683 634654220 /nfs/dbraw/zinc/65/42/20/634654220.db2.gz CMRDIJIYSQRUFE-SFHVURJKSA-N 0 1 299.418 2.617 20 30 CFEDMN C#CCCCCCC(=O)N1C[C@@H](C)N(CC)C[C@@H]1C ZINC000780016084 628427006 /nfs/dbraw/zinc/42/70/06/628427006.db2.gz CMNAMGALPMIZCV-CABCVRRESA-N 0 1 264.413 2.511 20 30 CFEDMN C#C[C@](C)(CC)NCC(=O)Nc1ccc(F)c(Cl)c1 ZINC000852100652 634654946 /nfs/dbraw/zinc/65/49/46/634654946.db2.gz IXUDOFRIDGRLDG-CQSZACIVSA-N 0 1 282.746 2.809 20 30 CFEDMN C#C[C@](C)(CC)[NH2+]Cc1cc(=O)oc2cc([O-])c(CC)cc12 ZINC000852101255 634655813 /nfs/dbraw/zinc/65/58/13/634655813.db2.gz PMICOESARXPUSV-GOSISDBHSA-N 0 1 299.370 2.953 20 30 CFEDMN CC(=NN[C@H]1CCCOC1)c1[nH]c(-c2ccccc2)nc1C ZINC000780258658 628446653 /nfs/dbraw/zinc/44/66/53/628446653.db2.gz VFDUMUIMOATGME-HNNXBMFYSA-N 0 1 298.390 2.878 20 30 CFEDMN CCN(CC)c1ccc(C=NN[C@H]2CCCOC2)cc1F ZINC000780261944 628447257 /nfs/dbraw/zinc/44/72/57/628447257.db2.gz QIMLDPRQJZXJFC-AWEZNQCLSA-N 0 1 293.386 2.774 20 30 CFEDMN COc1ccc(N=NCc2c[nH]c(-c3ccccc3)n2)nc1 ZINC000780271660 628449250 /nfs/dbraw/zinc/44/92/50/628449250.db2.gz WACZGHJLOAVWOX-UHFFFAOYSA-N 0 1 293.330 2.926 20 30 CFEDMN COc1ccc(N=NCc2cccc(OC)c2OC)nc1 ZINC000780277476 628449762 /nfs/dbraw/zinc/44/97/62/628449762.db2.gz YTYYTSUXYWSSMX-UHFFFAOYSA-N 0 1 287.319 2.553 20 30 CFEDMN N#CC(C(=O)[C@@H]1[C@@H]2CCCO[C@H]12)c1ccc2ccccc2n1 ZINC000780300995 628453324 /nfs/dbraw/zinc/45/33/24/628453324.db2.gz FJCFYJFWZAPSGU-YFPWBOGZSA-N 0 1 292.338 2.836 20 30 CFEDMN C#C[C@](C)(CC)NCC(=O)Nc1cc(C)cc(C)c1 ZINC000852101589 634656607 /nfs/dbraw/zinc/65/66/07/634656607.db2.gz SDTNCCDEGYRZSZ-MRXNPFEDSA-N 0 1 258.365 2.633 20 30 CFEDMN C#C[C@](C)(CC)N[C@@H]1CCN(c2cccc(Cl)c2)C1=O ZINC000852103184 634657555 /nfs/dbraw/zinc/65/75/55/634657555.db2.gz ZTNAZKPLJDLATL-GDBMZVCRSA-N 0 1 290.794 2.837 20 30 CFEDMN C=CC[C@H](NCc1ccc(OC)nc1)c1ccncc1 ZINC000780526518 628472085 /nfs/dbraw/zinc/47/20/85/628472085.db2.gz FZWIJUALYLSJSD-HNNXBMFYSA-N 0 1 269.348 2.892 20 30 CFEDMN N#Cc1ccc(CNC/C=C\c2ccc(F)cc2)nc1 ZINC000780555862 628476012 /nfs/dbraw/zinc/47/60/12/628476012.db2.gz JXKHAJZSNDECEO-UPHRSURJSA-N 0 1 267.307 2.895 20 30 CFEDMN CC(N=Nc1ccnc(F)c1)c1ccc(OCC#N)cc1 ZINC000781133496 628525344 /nfs/dbraw/zinc/52/53/44/628525344.db2.gz WWONECOEMAPQMZ-UHFFFAOYSA-N 0 1 284.294 2.959 20 30 CFEDMN C[C@H](NC[C@@H](O)c1ccco1)c1ccc(C#N)cc1F ZINC000781422393 628547564 /nfs/dbraw/zinc/54/75/64/628547564.db2.gz XRSZEQWNXWXSJT-IINYFYTJSA-N 0 1 274.295 2.675 20 30 CFEDMN C[C@@]1(C(=O)C(C#N)c2nc3ccccc3o2)CCCOC1 ZINC000781448725 628548612 /nfs/dbraw/zinc/54/86/12/628548612.db2.gz PKTWJQCGGGUPJR-MEDUHNTESA-N 0 1 284.315 2.821 20 30 CFEDMN N#CCC1CCN(Cn2cnc3cc(F)c(F)cc32)CC1 ZINC000781571367 628561045 /nfs/dbraw/zinc/56/10/45/628561045.db2.gz IDAYJTUBDISQCS-UHFFFAOYSA-N 0 1 290.317 2.898 20 30 CFEDMN C=C[C@@H](C)OC(=O)c1ccc(N2CCN(CC)CC2)cc1 ZINC000781578673 628561749 /nfs/dbraw/zinc/56/17/49/628561749.db2.gz JHJYMHMKXRZTQO-CQSZACIVSA-N 0 1 288.391 2.560 20 30 CFEDMN Nc1ncc(CN=Nc2nc(-c3ccccc3)cs2)cn1 ZINC000781586821 628562477 /nfs/dbraw/zinc/56/24/77/628562477.db2.gz ZCGDAVPBKMVBFY-UHFFFAOYSA-N 0 1 296.359 2.628 20 30 CFEDMN N#CCC1CCN(CC(=O)NC2CCCCCCC2)CC1 ZINC000782088449 628603650 /nfs/dbraw/zinc/60/36/50/628603650.db2.gz MJGRIQXFHXCTET-UHFFFAOYSA-N 0 1 291.439 2.841 20 30 CFEDMN Cc1nc(F)ccc1C=NNc1cc(C#N)cc(Cl)n1 ZINC000782266484 628621251 /nfs/dbraw/zinc/62/12/51/628621251.db2.gz KGFLCLDOHWTSHA-UHFFFAOYSA-N 0 1 289.701 2.895 20 30 CFEDMN CC(C)OCCn1[nH]c(C(C)(C)C)c(CCC#N)c1=O ZINC000782336715 628630207 /nfs/dbraw/zinc/63/02/07/628630207.db2.gz KGZLRBBQFIMZIU-UHFFFAOYSA-N 0 1 279.384 2.767 20 30 CFEDMN COc1ccc2c(c1)[C@H](NCc1ccc(C#N)cn1)CC2 ZINC000783292954 628697877 /nfs/dbraw/zinc/69/78/77/628697877.db2.gz DWBPANLEVMSQLE-QGZVFWFLSA-N 0 1 279.343 2.739 20 30 CFEDMN C[C@@H]1Cc2ccccc2[C@H]1NCc1ccc(C#N)cn1 ZINC000783300484 628698700 /nfs/dbraw/zinc/69/87/00/628698700.db2.gz NGIMMCGRMSRHCS-PXAZEXFGSA-N 0 1 263.344 2.976 20 30 CFEDMN C[C@H](NCc1ccc(C#N)cn1)c1ccc(N(C)C)cc1 ZINC000783300702 628699086 /nfs/dbraw/zinc/69/90/86/628699086.db2.gz PYYOUIIQDOGZAM-ZDUSSCGKSA-N 0 1 280.375 2.870 20 30 CFEDMN CC(=NN=c1nc[nH]c2sccc21)c1nccnc1C ZINC000783515050 628715242 /nfs/dbraw/zinc/71/52/42/628715242.db2.gz VSJXUTGBRJYNAK-UHFFFAOYSA-N 0 1 284.348 2.626 20 30 CFEDMN CCC#C[C@@H](C)N1CCCN(c2ncccc2F)CC1 ZINC000784399553 628814280 /nfs/dbraw/zinc/81/42/80/628814280.db2.gz DZBUBISHZSZCDC-CQSZACIVSA-N 0 1 275.371 2.535 20 30 CFEDMN C=C[C@@](C)(CC)C(=O)NCc1n[nH]c(-c2ccccc2)n1 ZINC000785409993 628880197 /nfs/dbraw/zinc/88/01/97/628880197.db2.gz OSSUPRZBZLRGMG-INIZCTEOSA-N 0 1 284.363 2.690 20 30 CFEDMN C=C[C@@](C)(CC)C(=O)NCc1nc(-c2ccccc2)n[nH]1 ZINC000785409993 628880200 /nfs/dbraw/zinc/88/02/00/628880200.db2.gz OSSUPRZBZLRGMG-INIZCTEOSA-N 0 1 284.363 2.690 20 30 CFEDMN C#CCCCCCC(=O)Nc1cccc(-c2cn[nH]n2)c1 ZINC000785416645 628880948 /nfs/dbraw/zinc/88/09/48/628880948.db2.gz WXJGUHSUIJBSJL-UHFFFAOYSA-N 0 1 282.347 2.994 20 30 CFEDMN C#CCCCCC(=O)Nc1cccc(-c2cn[nH]n2)c1 ZINC000785416660 628881202 /nfs/dbraw/zinc/88/12/02/628881202.db2.gz XJMSOSVVZSQJOZ-UHFFFAOYSA-N 0 1 268.320 2.604 20 30 CFEDMN Cc1cc(CN=Nc2ccccc2[N+](=O)[O-])sn1 ZINC000785450352 628884220 /nfs/dbraw/zinc/88/42/20/628884220.db2.gz DQBUGGLIOASULM-UHFFFAOYSA-N 0 1 262.294 2.806 20 30 CFEDMN C[C@H]1CC[C@H](C)N1CC(=O)OCC#Cc1ccc(F)cc1 ZINC000785729493 628908639 /nfs/dbraw/zinc/90/86/39/628908639.db2.gz JKPKMFBILBVING-KBPBESRZSA-N 0 1 289.350 2.593 20 30 CFEDMN C#CCOc1ccc(NC(=O)c2ccc3cncn3c2)cc1 ZINC000786118343 628938803 /nfs/dbraw/zinc/93/88/03/628938803.db2.gz SYMMCTAAEZIHCW-UHFFFAOYSA-N 0 1 291.310 2.599 20 30 CFEDMN CCCC(C)(C)CC(=O)[C@H](C#N)C(=O)Nc1ccccn1 ZINC000786324034 628948160 /nfs/dbraw/zinc/94/81/60/628948160.db2.gz BMIJNVBXGZFAPF-LBPRGKRZSA-N 0 1 287.363 2.945 20 30 CFEDMN Cc1n[nH]c(C(C)C)c1C(=O)OCCC(C)(C)C#N ZINC000786340600 628949560 /nfs/dbraw/zinc/94/95/60/628949560.db2.gz PKKFZGLJHMPCSS-UHFFFAOYSA-N 0 1 263.341 2.938 20 30 CFEDMN C=CCC[N@H+](C)Cc1nnc(-c2cccc(F)c2)o1 ZINC000786445165 628957194 /nfs/dbraw/zinc/95/71/94/628957194.db2.gz NKHRTWSQGBWTEZ-UHFFFAOYSA-N 0 1 261.300 2.884 20 30 CFEDMN C=CCCN(C)Cc1nnc(-c2cccc(F)c2)o1 ZINC000786445165 628957197 /nfs/dbraw/zinc/95/71/97/628957197.db2.gz NKHRTWSQGBWTEZ-UHFFFAOYSA-N 0 1 261.300 2.884 20 30 CFEDMN C=CCC[N@H+](C)CC(=O)Nc1cc(Cl)ccc1[N+](=O)[O-] ZINC000786445129 628957270 /nfs/dbraw/zinc/95/72/70/628957270.db2.gz MOVYGISXKDMVFT-UHFFFAOYSA-N 0 1 297.742 2.695 20 30 CFEDMN C=CCCN(C)CC(=O)Nc1cc(Cl)ccc1[N+](=O)[O-] ZINC000786445129 628957272 /nfs/dbraw/zinc/95/72/72/628957272.db2.gz MOVYGISXKDMVFT-UHFFFAOYSA-N 0 1 297.742 2.695 20 30 CFEDMN Cc1cccc(CNC(=O)C(C#N)C(=O)C2CCCC2)c1 ZINC000786540045 628967156 /nfs/dbraw/zinc/96/71/56/628967156.db2.gz GJLPARNFRVYLMR-OAHLLOKOSA-N 0 1 284.359 2.510 20 30 CFEDMN Cc1cccc(CNC(=O)C(C#N)C(=O)C[C@H](C)C2CC2)c1 ZINC000786538869 628967240 /nfs/dbraw/zinc/96/72/40/628967240.db2.gz BPEYESRDVWFTEQ-XJKSGUPXSA-N 0 1 298.386 2.756 20 30 CFEDMN Cc1cccc(CNC(=O)C(C#N)C(=O)C2CCCCC2)c1 ZINC000786548876 628967834 /nfs/dbraw/zinc/96/78/34/628967834.db2.gz OBRAMPBUAAAYMR-MRXNPFEDSA-N 0 1 298.386 2.900 20 30 CFEDMN CCCCCCCCNC(=O)N(C)Cc1cnc[nH]1 ZINC000852226834 634698146 /nfs/dbraw/zinc/69/81/46/634698146.db2.gz OCNVJEKOYHKZOM-UHFFFAOYSA-N 0 1 266.389 2.912 20 30 CFEDMN Cc1ccc(NCc2n[nH]c(-c3ccccc3)n2)nc1C#N ZINC000786781069 628979008 /nfs/dbraw/zinc/97/90/08/628979008.db2.gz IQBWJWBMGZOZAL-UHFFFAOYSA-N 0 1 290.330 2.659 20 30 CFEDMN Cc1ccc(NCc2nc(-c3ccccc3)n[nH]2)nc1C#N ZINC000786781069 628979010 /nfs/dbraw/zinc/97/90/10/628979010.db2.gz IQBWJWBMGZOZAL-UHFFFAOYSA-N 0 1 290.330 2.659 20 30 CFEDMN C#C[C@H](N[C@H](C)c1cnn(C(C)(C)C)c1C)[C@@H]1CCCO1 ZINC000786936731 628985327 /nfs/dbraw/zinc/98/53/27/628985327.db2.gz WHVDXNYTBOSIGH-KCXAZCMYSA-N 0 1 289.423 2.778 20 30 CFEDMN C#C[C@H](N[C@@H](C)c1cnn(C(C)C)c1C)[C@H]1CCCO1 ZINC000786935574 628985447 /nfs/dbraw/zinc/98/54/47/628985447.db2.gz MRMHQRJRVZGBTJ-VBNZEHGJSA-N 0 1 275.396 2.604 20 30 CFEDMN N#CCCCCCC(=O)C(C#N)C(=O)Nc1ccccc1 ZINC000805854529 629038197 /nfs/dbraw/zinc/03/81/97/629038197.db2.gz WZJKOQCXCDAZCN-CQSZACIVSA-N 0 1 283.331 2.808 20 30 CFEDMN C#CCC1(C(=O)N2CCN(C)[C@@H](C)[C@H]2C)CCCCC1 ZINC000788238326 629052690 /nfs/dbraw/zinc/05/26/90/629052690.db2.gz LJDQQENWEBXAOL-LSDHHAIUSA-N 0 1 276.424 2.511 20 30 CFEDMN CC#CC(=O)Nc1cc(Cl)cc(Br)c1O ZINC000788306005 629057181 /nfs/dbraw/zinc/05/71/81/629057181.db2.gz SZLOHHKTIYOLAI-UHFFFAOYSA-N 0 1 288.528 2.770 20 30 CFEDMN C#Cc1ccc(CNCc2cn3ccccc3n2)cc1 ZINC000788852181 629104455 /nfs/dbraw/zinc/10/44/55/629104455.db2.gz FBLHEFSNWWRKKW-UHFFFAOYSA-N 0 1 261.328 2.605 20 30 CFEDMN Cc1cc(C(C)N=Nc2ccc(F)cc2F)n(C)n1 ZINC000788929606 629109598 /nfs/dbraw/zinc/10/95/98/629109598.db2.gz WYSIJLCKQWZSII-UHFFFAOYSA-N 0 1 264.279 2.843 20 30 CFEDMN C#CCOc1cccc(Cl)c1CN(C)CCCCCO ZINC000789762870 629186367 /nfs/dbraw/zinc/18/63/67/629186367.db2.gz XHOMYYFMKWXXLK-UHFFFAOYSA-N 0 1 295.810 2.946 20 30 CFEDMN CC(=Cc1ccc(Cl)nc1)c1nc(C)c(C#N)c(=O)[nH]1 ZINC000789829440 629190544 /nfs/dbraw/zinc/19/05/44/629190544.db2.gz OCDPSSLKNKLCOQ-VMPITWQZSA-N 0 1 286.722 2.559 20 30 CFEDMN Clc1sccc1C=NNC1=N[C@@H]2CCCC[C@H]2N1 ZINC000790172848 629215793 /nfs/dbraw/zinc/21/57/93/629215793.db2.gz XNNCXBQFGWDGLI-NXEZZACHSA-N 0 1 282.800 2.595 20 30 CFEDMN COc1ccc(N=NCc2ccnn2-c2ccccc2)nc1 ZINC000790297712 629226962 /nfs/dbraw/zinc/22/69/62/629226962.db2.gz BPMKYDAFMCGGIA-UHFFFAOYSA-N 0 1 293.330 2.722 20 30 CFEDMN CC(=NNc1nccn1C)c1cnn(C(C)(C)C)c1C ZINC000790300602 629227663 /nfs/dbraw/zinc/22/76/63/629227663.db2.gz WGZIZLWCCPTSKP-UHFFFAOYSA-N 0 1 274.372 2.516 20 30 CFEDMN Cc1cc(Cl)cc(C=N[N-]c2[nH+]ccn2C)c1O ZINC000790299961 629227739 /nfs/dbraw/zinc/22/77/39/629227739.db2.gz KYTPGZFUXKMIAX-UHFFFAOYSA-N 0 1 264.716 2.534 20 30 CFEDMN COc1ccc2c(c1)C(C)(C)CC2N=Nc1nccn1C ZINC000790301954 629228445 /nfs/dbraw/zinc/22/84/45/629228445.db2.gz LGNRYSKXFQJJNI-UHFFFAOYSA-N 0 1 284.363 2.926 20 30 CFEDMN N#C[C@@H](C(=O)Cc1cccc(C(F)F)c1)c1ccncn1 ZINC000790794199 629262933 /nfs/dbraw/zinc/26/29/33/629262933.db2.gz YCRJCAPZJLBERV-GFCCVEGCSA-N 0 1 287.269 2.833 20 30 CFEDMN N#CCc1ccc(COC(=O)c2ccc3cncn3c2)cc1 ZINC000790921042 629271469 /nfs/dbraw/zinc/27/14/69/629271469.db2.gz NLVRSXPGORHKTR-UHFFFAOYSA-N 0 1 291.310 2.757 20 30 CFEDMN CC(C)C[C@@H]1C[C@H]1C(=O)C(C#N)C(=O)NCc1ccccc1 ZINC000835062319 629363675 /nfs/dbraw/zinc/36/36/75/629363675.db2.gz SIKMXVPUEBOXMJ-BZUAXINKSA-N 0 1 298.386 2.694 20 30 CFEDMN CCc1ccc(NC(=O)C(C#N)C(=O)[C@@H]2C[C@H]2CC)cc1 ZINC000835061713 629364971 /nfs/dbraw/zinc/36/49/71/629364971.db2.gz JIZRHOHPWRTMGD-YUELXQCFSA-N 0 1 284.359 2.942 20 30 CFEDMN C[C@@H]1CC[C@H](C(=O)C(C#N)C(=O)Nc2ccccn2)C[C@@H]1C ZINC000835077823 629374767 /nfs/dbraw/zinc/37/47/67/629374767.db2.gz WZSNDXVUZMZYFB-ZOBORPQBSA-N 0 1 299.374 2.801 20 30 CFEDMN N#CC(C(=O)C[C@@H]1CCCO1)c1nccc2ccccc21 ZINC000792094549 629397468 /nfs/dbraw/zinc/39/74/68/629397468.db2.gz FQPYCXVOUVIRFT-ZFWWWQNUSA-N 0 1 280.327 2.980 20 30 CFEDMN CC1(OCC(=O)C(C#N)c2cnc3ccccc3n2)CCC1 ZINC000792104823 629398316 /nfs/dbraw/zinc/39/83/16/629398316.db2.gz RQZVPLQLCNDXQU-GFCCVEGCSA-N 0 1 295.342 2.765 20 30 CFEDMN N#Cc1ccc(CN[C@@H](CCO)c2cccs2)cc1F ZINC000792284052 629417378 /nfs/dbraw/zinc/41/73/78/629417378.db2.gz UDMYGZHYFMYOLP-AWEZNQCLSA-N 0 1 290.363 2.972 20 30 CFEDMN C=CC[C@@H]1CCC[N@H+](CC(=O)Nc2ccc(Cl)nc2)C1 ZINC000852408763 634740172 /nfs/dbraw/zinc/74/01/72/634740172.db2.gz AFOHSXYYZBEIMW-GFCCVEGCSA-N 0 1 293.798 2.962 20 30 CFEDMN C=CC[C@@H]1CCCN(CC(=O)Nc2ccc(Cl)nc2)C1 ZINC000852408763 634740178 /nfs/dbraw/zinc/74/01/78/634740178.db2.gz AFOHSXYYZBEIMW-GFCCVEGCSA-N 0 1 293.798 2.962 20 30 CFEDMN CC[C@H](C)CON=Cc1ccccc1N1CCOCC1 ZINC000793160896 629494946 /nfs/dbraw/zinc/49/49/46/629494946.db2.gz XIZRFJCWYKQWMX-AWEZNQCLSA-N 0 1 276.380 2.920 20 30 CFEDMN Clc1cccc(NN=Cc2cccc3c2OCCO3)n1 ZINC000793160709 629495095 /nfs/dbraw/zinc/49/50/95/629495095.db2.gz CZHSUOBROUUMGP-UHFFFAOYSA-N 0 1 289.722 2.952 20 30 CFEDMN C#CCC(C)(C)COC(=O)c1ccc2cncn2c1 ZINC000793191106 629502264 /nfs/dbraw/zinc/50/22/64/629502264.db2.gz OPHQJXSMCVXHTG-UHFFFAOYSA-N 0 1 256.305 2.541 20 30 CFEDMN CC(C)(C)[C@H](C#N)OC(=O)c1cccc(-c2nnc[nH]2)c1 ZINC000793192176 629502710 /nfs/dbraw/zinc/50/27/10/629502710.db2.gz RALSGRYLTZNAQC-LBPRGKRZSA-N 0 1 284.319 2.567 20 30 CFEDMN C=C(C)[C@H](C)OC(=O)c1cccc(-c2nnc[nH]2)c1 ZINC000793204445 629504061 /nfs/dbraw/zinc/50/40/61/629504061.db2.gz LDYLXSAAPRVNSI-JTQLQIEISA-N 0 1 257.293 2.593 20 30 CFEDMN C#CCOc1ccc(CN2C[C@@H](C)O[C@H](C3CC3)C2)cc1 ZINC000793215758 629506653 /nfs/dbraw/zinc/50/66/53/629506653.db2.gz WLOCZOXHHONBBM-KDOFPFPSSA-N 0 1 285.387 2.698 20 30 CFEDMN N#CC(C(=O)CC1OCCCO1)c1nccc2ccccc21 ZINC000793279867 629518984 /nfs/dbraw/zinc/51/89/84/629518984.db2.gz AVCNBDVBXDLKLD-AWEZNQCLSA-N 0 1 296.326 2.564 20 30 CFEDMN C=CCCCCC[C@H](C)NCc1nc(N(C)C)no1 ZINC000793591087 629576072 /nfs/dbraw/zinc/57/60/72/629576072.db2.gz POLWRPMDBSNLGS-LBPRGKRZSA-N 0 1 266.389 2.750 20 30 CFEDMN C#C[C@H](NC[C@H](OC(C)C)c1ccccc1)[C@H]1CCCO1 ZINC000794498643 629650907 /nfs/dbraw/zinc/65/09/07/629650907.db2.gz MMOCWLITHKTZEJ-KSZLIROESA-N 0 1 287.403 2.923 20 30 CFEDMN CCc1cccc(F)c1C=NNC1=N[C@H]2CCCC[C@@H]2N1 ZINC000794523088 629653959 /nfs/dbraw/zinc/65/39/59/629653959.db2.gz DBFXHEWLLXDDML-GJZGRUSLSA-N 0 1 288.370 2.582 20 30 CFEDMN FC(F)c1ccc(C=NNC2=N[C@H]3CCCC[C@@H]3N2)cc1 ZINC000794524800 629654670 /nfs/dbraw/zinc/65/46/70/629654670.db2.gz VMRRPWIPJPGHFK-STQMWFEESA-N 0 1 292.333 2.818 20 30 CFEDMN CC(C)[C@@H](NCC1(C#N)CC1)[C@@H](O)c1ccccc1 ZINC000794604685 629667280 /nfs/dbraw/zinc/66/72/80/629667280.db2.gz MUUJKAONAHXJOM-CABCVRRESA-N 0 1 258.365 2.638 20 30 CFEDMN C(=NNc1ncnc2[nH]cnc21)c1ccc2occc2c1 ZINC000794901824 629701789 /nfs/dbraw/zinc/70/17/89/629701789.db2.gz OYZWIXMOOZVVDE-UHFFFAOYSA-N 0 1 278.275 2.545 20 30 CFEDMN Cc1cnn(C)c1CN=Nc1cc(F)c(F)cc1F ZINC000794908395 629702710 /nfs/dbraw/zinc/70/27/10/629702710.db2.gz JUVXTLYVEKPWAC-UHFFFAOYSA-N 0 1 268.242 2.592 20 30 CFEDMN C(=NNC1=N[C@@H]2CCCC[C@@H]2N1)c1ccc2occc2c1 ZINC000794921889 629704990 /nfs/dbraw/zinc/70/49/90/629704990.db2.gz FELDYBVAYPTPAI-OKILXGFUSA-N 0 1 282.347 2.627 20 30 CFEDMN Cn1cc2c(n1)CC/C(=C/c1cc(F)c(O)c(F)c1)C2=O ZINC000794962680 629710296 /nfs/dbraw/zinc/71/02/96/629710296.db2.gz USNHDXCHAPJPCV-WTKPLQERSA-N 0 1 290.269 2.616 20 30 CFEDMN C[C@@H]1CC(N=Nc2cncnc2)CN1Cc1ccccc1 ZINC000794976202 629713602 /nfs/dbraw/zinc/71/36/02/629713602.db2.gz GVKJRHZUOFIRSU-CYBMUJFWSA-N 0 1 281.363 2.539 20 30 CFEDMN COc1cc(CN=Nc2cncnc2)ccc1OC(F)F ZINC000794977078 629714228 /nfs/dbraw/zinc/71/42/28/629714228.db2.gz XFZDKHNWPJRYBV-UHFFFAOYSA-N 0 1 294.261 2.533 20 30 CFEDMN CC(=NNc1cncnc1)c1cnn(C2CCCC2)c1 ZINC000794976862 629714270 /nfs/dbraw/zinc/71/42/70/629714270.db2.gz RTONZNBDOJDDLC-UHFFFAOYSA-N 0 1 270.340 2.624 20 30 CFEDMN Oc1ccc2ccccc2c1CN=Nc1cncnc1 ZINC000794979384 629716005 /nfs/dbraw/zinc/71/60/05/629716005.db2.gz YRDNNVOYTOCECQ-UHFFFAOYSA-N 0 1 264.288 2.781 20 30 CFEDMN O=C1Nc2cccc(Cl)c2C1=NNc1ncccc1F ZINC000794990961 629718429 /nfs/dbraw/zinc/71/84/29/629718429.db2.gz RZNRJYFHQSYHPN-UHFFFAOYSA-N 0 1 290.685 2.642 20 30 CFEDMN COc1ccc(C=NNc2cccc(F)n2)cc1C#N ZINC000795006116 629721706 /nfs/dbraw/zinc/72/17/06/629721706.db2.gz DIYDFDXTXIMTDN-UHFFFAOYSA-N 0 1 270.267 2.547 20 30 CFEDMN Fc1cccc(N=NCc2cncc(Br)c2)n1 ZINC000795006811 629722502 /nfs/dbraw/zinc/72/25/02/629722502.db2.gz LMDPOKMCNPORBA-UHFFFAOYSA-N 0 1 295.115 2.824 20 30 CFEDMN CCCn1nc(C)c(C=NNc2cccc(F)n2)c1C ZINC000795006374 629722924 /nfs/dbraw/zinc/72/29/24/629722924.db2.gz OBATVSIEKYVYLX-UHFFFAOYSA-N 0 1 275.331 2.890 20 30 CFEDMN COc1ccc2c(c1)C(=NNc1cccc(F)n1)CCO2 ZINC000795009994 629724369 /nfs/dbraw/zinc/72/43/69/629724369.db2.gz SABVYAGVNIJABS-UHFFFAOYSA-N 0 1 287.294 2.828 20 30 CFEDMN CC(C)NC(=O)[C@@H](C#N)C(=O)C[C@H](C)C1CCCCC1 ZINC000102120736 629815601 /nfs/dbraw/zinc/81/56/01/629815601.db2.gz RLASTAFWMRSEAQ-JSGCOSHPSA-N 0 1 278.396 2.826 20 30 CFEDMN CN(Cc1cc(Cl)ccc1OCC#N)[C@H]1CCCOC1 ZINC000796199069 629888811 /nfs/dbraw/zinc/88/88/11/629888811.db2.gz NLQAHUJYYXDBKR-AWEZNQCLSA-N 0 1 294.782 2.853 20 30 CFEDMN CCC#C[C@H](C)N1CC2CC1(CNC(=O)OC(C)(C)C)C2 ZINC000852526926 634771591 /nfs/dbraw/zinc/77/15/91/634771591.db2.gz HQJCFTHKPXCWDS-CBCUQQMYSA-N 0 1 292.423 2.777 20 30 CFEDMN CO[C@@H](C(=O)C(C#N)c1nc2ccccc2s1)C1CC1 ZINC000796631386 629943191 /nfs/dbraw/zinc/94/31/91/629943191.db2.gz YWQRVZXYUOMULJ-QMTHXVAHSA-N 0 1 286.356 2.898 20 30 CFEDMN C=CCC[C@H](NCC(=O)N(CC)CC)c1ccco1 ZINC000796704254 629952610 /nfs/dbraw/zinc/95/26/10/629952610.db2.gz MSJSRCSPTZEBKP-ZDUSSCGKSA-N 0 1 264.369 2.745 20 30 CFEDMN C#CCOc1ccccc1CN[C@H]1CCCc2n[nH]cc21 ZINC000796816047 629971596 /nfs/dbraw/zinc/97/15/96/629971596.db2.gz IRUMJYVOJOOTAB-HNNXBMFYSA-N 0 1 281.359 2.589 20 30 CFEDMN CC(C)O[C@H](C(=O)C(C#N)c1ccncn1)c1ccccc1 ZINC000797076476 630013738 /nfs/dbraw/zinc/01/37/38/630013738.db2.gz KDHKONXVZJBKKC-YOEHRIQHSA-N 0 1 295.342 2.819 20 30 CFEDMN CC(C)c1c(Cl)ncnc1N=NCc1csnn1 ZINC000797404323 630061504 /nfs/dbraw/zinc/06/15/04/630061504.db2.gz CKDSTRWZDICVNC-UHFFFAOYSA-N 0 1 282.760 2.551 20 30 CFEDMN CC(C)c1c(Cl)ncnc1N=NC1CN2CCC1CC2 ZINC000797403876 630061574 /nfs/dbraw/zinc/06/15/74/630061574.db2.gz BCBVUCLDZXAGSZ-UHFFFAOYSA-N 0 1 293.802 2.747 20 30 CFEDMN CC(C)c1c(Cl)ncnc1N=NC1C[C@@H](C)N(C)C1 ZINC000797404399 630061643 /nfs/dbraw/zinc/06/16/43/630061643.db2.gz NLTCRYIYQDBNJO-SECBINFHSA-N 0 1 281.791 2.745 20 30 CFEDMN C[C@@H]1CCN(CCCC#N)[C@H](CNC(=O)OC(C)(C)C)C1 ZINC000852599244 634790430 /nfs/dbraw/zinc/79/04/30/634790430.db2.gz IGASNMUFLQSVFU-KGLIPLIRSA-N 0 1 295.427 2.915 20 30 CFEDMN N#CC(C(=O)Cc1ccc(F)cn1)c1nc2ccccc2[nH]1 ZINC000798207870 630165643 /nfs/dbraw/zinc/16/56/43/630165643.db2.gz HCAKGMZRJXKQTF-GFCCVEGCSA-N 0 1 294.289 2.516 20 30 CFEDMN N#C[C@H](C(=O)CC1CC(c2ccccc2)C1)C(=O)NC1CC1 ZINC000798816197 630241415 /nfs/dbraw/zinc/24/14/15/630241415.db2.gz IRSXNXOABDYFOO-LDZOIKDWSA-N 0 1 296.370 2.558 20 30 CFEDMN N#Cc1ccc(CN2CC[C@@H](c3ccccn3)C2)o1 ZINC000798962030 630264960 /nfs/dbraw/zinc/26/49/60/630264960.db2.gz IHINVUZMRQRRBP-GFCCVEGCSA-N 0 1 253.305 2.536 20 30 CFEDMN C#C[C@@H](NC(=O)[C@@H](c1ccccc1)N(CC)CC)C(C)C ZINC000799048781 630270537 /nfs/dbraw/zinc/27/05/37/630270537.db2.gz VJZZVBGMGQSLJK-IAGOWNOFSA-N 0 1 286.419 2.844 20 30 CFEDMN CC(=NNCc1cccc(C)c1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000799110936 630275729 /nfs/dbraw/zinc/27/57/29/630275729.db2.gz KHKZTDUPMUTERP-UHFFFAOYSA-N 0 1 298.346 2.999 20 30 CFEDMN CCCCO[C@H](C)C(=O)C(C#N)c1nc(C)cs1 ZINC000103635497 630291714 /nfs/dbraw/zinc/29/17/14/630291714.db2.gz PXCVXGFTBNCDDQ-GHMZBOCLSA-N 0 1 266.366 2.833 20 30 CFEDMN COc1cc(CNCc2ccc(Cl)nc2)ccc1C#N ZINC000799334314 630299941 /nfs/dbraw/zinc/29/99/41/630299941.db2.gz WBDLPLIATDKKPL-UHFFFAOYSA-N 0 1 287.750 2.905 20 30 CFEDMN CC(=N[N-]c1[nH]c2cc(F)c(F)cc2[nH+]1)c1cnoc1C ZINC000799476741 630312180 /nfs/dbraw/zinc/31/21/80/630312180.db2.gz TVUGMOXCXIOWOI-UHFFFAOYSA-N 0 1 291.261 2.974 20 30 CFEDMN CC(=NNc1nc2cc(F)c(F)cc2[nH]1)c1cnoc1C ZINC000799476741 630312186 /nfs/dbraw/zinc/31/21/86/630312186.db2.gz TVUGMOXCXIOWOI-UHFFFAOYSA-N 0 1 291.261 2.974 20 30 CFEDMN COc1cc(CN=Nc2cc(C)ccn2)ccc1C#N ZINC000799481964 630313577 /nfs/dbraw/zinc/31/35/77/630313577.db2.gz MFYOZCMXBQQVRM-UHFFFAOYSA-N 0 1 266.304 2.716 20 30 CFEDMN CCCCCCCS(=O)(=O)N(CCN(C)C)C(C)C ZINC000799793247 630344281 /nfs/dbraw/zinc/34/42/81/630344281.db2.gz KPUKSWAVYZUUQY-UHFFFAOYSA-N 0 1 292.489 2.559 20 30 CFEDMN C#CCN(CCOCC(C)C)Cc1ccc(F)cc1 ZINC000800333931 630372096 /nfs/dbraw/zinc/37/20/96/630372096.db2.gz BYBBHKKMSKWBOV-UHFFFAOYSA-N 0 1 263.356 2.934 20 30 CFEDMN C[C@@H]1C[C@H](C)[C@H](C(=O)C(C#N)c2cnc3ccccc3n2)O1 ZINC000800410566 630379903 /nfs/dbraw/zinc/37/99/03/630379903.db2.gz ZJPPTQBAPLVWLO-SHFDMQKMSA-N 0 1 295.342 2.620 20 30 CFEDMN C[C@@H]1CC[C@@H](C=Nn2c(=O)c3ccccc3[nH]c2=S)C1 ZINC000800809300 630406577 /nfs/dbraw/zinc/40/65/77/630406577.db2.gz IPRDEAGSBLAZPM-GHMZBOCLSA-N 0 1 287.388 2.955 20 30 CFEDMN CC#CC(=O)N[C@@H](c1ccccc1)c1ccc2nc[nH]c2c1 ZINC000801116424 630429422 /nfs/dbraw/zinc/42/94/22/630429422.db2.gz UHSUIWKMZIGVCZ-SFHVURJKSA-N 0 1 289.338 2.792 20 30 CFEDMN Cc1ccc(CN=Nc2cnn(C)c2)c(-c2ccnn2C)c1 ZINC000802712132 630539588 /nfs/dbraw/zinc/53/95/88/630539588.db2.gz IMBZEDQAGYKLRB-UHFFFAOYSA-N 0 1 294.362 2.575 20 30 CFEDMN C#CCCN(CCOC)Cc1ccccc1OC(C)C ZINC000852751984 634825288 /nfs/dbraw/zinc/82/52/88/634825288.db2.gz QIZZWYKDLHZRIG-UHFFFAOYSA-N 0 1 275.392 2.946 20 30 CFEDMN C=CCN1CCN(CN2CCC3(CCCC3)CC2)C1=O ZINC000840007946 630629915 /nfs/dbraw/zinc/62/99/15/630629915.db2.gz RRCUDMJPIWMKIR-UHFFFAOYSA-N 0 1 277.412 2.524 20 30 CFEDMN CC#CC(=O)N(C)[C@@H](C)c1nc2ccc(Cl)cc2[nH]1 ZINC000854815849 635400261 /nfs/dbraw/zinc/40/02/61/635400261.db2.gz AFMMKLHNKVIWEX-VIFPVBQESA-N 0 1 275.739 2.759 20 30 CFEDMN C#Cc1cncc(C(=O)Nc2cc(F)cc(Cl)c2O)c1 ZINC000807261277 630871349 /nfs/dbraw/zinc/87/13/49/630871349.db2.gz SMOZFIRRPLVJKX-UHFFFAOYSA-N 0 1 290.681 2.813 20 30 CFEDMN C[C@H]1CC=C(C(=O)Nc2cc(C#N)ccc2O)CC1 ZINC000836780388 630881645 /nfs/dbraw/zinc/88/16/45/630881645.db2.gz SUTWXEGHZFUCCP-JTQLQIEISA-N 0 1 256.305 2.949 20 30 CFEDMN CC(N=Nc1cccc([N+](=O)[O-])c1)c1cn2c(n1)CCCC2 ZINC000807944597 630924299 /nfs/dbraw/zinc/92/42/99/630924299.db2.gz HPFXYHRWVVCLNZ-UHFFFAOYSA-N 0 1 299.334 2.964 20 30 CFEDMN CCO[C@@H]1CC(=NN=c2[nH]c3ccccc3[nH]2)[C@@H]1SC ZINC000807945715 630925607 /nfs/dbraw/zinc/92/56/07/630925607.db2.gz HLNKVPMRKPFUJM-OLZOCXBDSA-N 0 1 290.392 2.871 20 30 CFEDMN Cc1cc[nH]c(=NN=Cc2cn(-c3ccccc3C)nn2)c1 ZINC000807977648 630929136 /nfs/dbraw/zinc/92/91/36/630929136.db2.gz VYEXJXWXPLMFHT-UHFFFAOYSA-N 0 1 292.346 2.725 20 30 CFEDMN Cc1cc[nH+]c([N-]N=Cc2cn(-c3ccccc3C)nn2)c1 ZINC000807977648 630929139 /nfs/dbraw/zinc/92/91/39/630929139.db2.gz VYEXJXWXPLMFHT-UHFFFAOYSA-N 0 1 292.346 2.725 20 30 CFEDMN Cc1ccnc(NN=Cc2cn(-c3ccccc3C)nn2)c1 ZINC000807977648 630929140 /nfs/dbraw/zinc/92/91/40/630929140.db2.gz VYEXJXWXPLMFHT-UHFFFAOYSA-N 0 1 292.346 2.725 20 30 CFEDMN C[C@@H]1CC(N=Nc2nccnc2C2CCC2)CN1C1CC1 ZINC000807994507 630933912 /nfs/dbraw/zinc/93/39/12/630933912.db2.gz UFRTVCFOYIEFSX-LLVKDONJSA-N 0 1 285.395 2.769 20 30 CFEDMN Cc1ccn(CN2CCCCCCCC2)c(=O)c1C#N ZINC000840132619 630973370 /nfs/dbraw/zinc/97/33/70/630973370.db2.gz CUCVEHQARSLYFX-UHFFFAOYSA-N 0 1 273.380 2.642 20 30 CFEDMN CN(C)[C@H](CNC(=O)C#CC(C)(C)C)c1cccc(F)c1 ZINC000837317587 630996065 /nfs/dbraw/zinc/99/60/65/630996065.db2.gz OWECVLAFHFQXOC-OAHLLOKOSA-N 0 1 290.382 2.594 20 30 CFEDMN O=C(C#CC1CC1)Nc1ccc2nc([C@H]3CCCO3)[nH]c2c1 ZINC000837373443 631015976 /nfs/dbraw/zinc/01/59/76/631015976.db2.gz IJALHQMRLOIKOC-OAHLLOKOSA-N 0 1 295.342 2.766 20 30 CFEDMN C[C@H](NC(=O)C#CC1CC1)c1nc2ccc(Cl)cc2[nH]1 ZINC000837411285 631022813 /nfs/dbraw/zinc/02/28/13/631022813.db2.gz BYWNNMGOXMCJJA-VIFPVBQESA-N 0 1 287.750 2.807 20 30 CFEDMN CN1CCN(C(=O)C#CC(C)(C)C)C2(CCCCC2)C1 ZINC000837446134 631032490 /nfs/dbraw/zinc/03/24/90/631032490.db2.gz JZMGRBLUNVKFOQ-UHFFFAOYSA-N 0 1 276.424 2.513 20 30 CFEDMN O=C(C#CC1CC1)NCc1cc(Cl)cc(Cl)c1O ZINC000837652985 631097608 /nfs/dbraw/zinc/09/76/08/631097608.db2.gz GONZBJGPTMIGLD-UHFFFAOYSA-N 0 1 284.142 2.729 20 30 CFEDMN N#CC1(COC(=O)[C@H]2CCCN2C2CCCC2)CCC1 ZINC000837689898 631108675 /nfs/dbraw/zinc/10/86/75/631108675.db2.gz ZABYGVMAAWDBKY-CQSZACIVSA-N 0 1 276.380 2.630 20 30 CFEDMN C#Cc1ccc(CN(C)Cc2ccc(OC)nc2)cc1 ZINC000809639872 631253984 /nfs/dbraw/zinc/25/39/84/631253984.db2.gz OSYMLALLIIKRJH-UHFFFAOYSA-N 0 1 266.344 2.704 20 30 CFEDMN C=CC[C@H](NCc1cnc(CC)nc1)c1ccncc1 ZINC000840899398 631255692 /nfs/dbraw/zinc/25/56/92/631255692.db2.gz WFNMQQODTKZYSQ-HNNXBMFYSA-N 0 1 268.364 2.841 20 30 CFEDMN C#C[C@@H](C)NCc1c(C)nn(Cc2ccc(OC)cc2)c1C ZINC000809683459 631261438 /nfs/dbraw/zinc/26/14/38/631261438.db2.gz BVQBLURDCUMOIP-CYBMUJFWSA-N 0 1 297.402 2.668 20 30 CFEDMN C#C[C@@H](C)NCc1ccc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000809683723 631261463 /nfs/dbraw/zinc/26/14/63/631261463.db2.gz LWQJZQHRGBOMKK-LLVKDONJSA-N 0 1 270.288 2.966 20 30 CFEDMN C#C[C@H](C)NCc1ccc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000809683724 631261716 /nfs/dbraw/zinc/26/17/16/631261716.db2.gz LWQJZQHRGBOMKK-NSHDSACASA-N 0 1 270.288 2.966 20 30 CFEDMN CCCCCCCC[C@H](C)C(=O)N[C@H]1CNC[C@@H]1C#N ZINC000852876279 634853423 /nfs/dbraw/zinc/85/34/23/634853423.db2.gz XEIJLPXHALQREX-KKUMJFAQSA-N 0 1 279.428 2.601 20 30 CFEDMN C#CCC(C)(C)C(=O)OC[C@@H]1CCCN1Cc1ccco1 ZINC000810641316 631415412 /nfs/dbraw/zinc/41/54/12/631415412.db2.gz WRKBRTMLHGYDNE-AWEZNQCLSA-N 0 1 289.375 2.837 20 30 CFEDMN C=C[C@H](CC)OC(=O)[C@]1(F)CCN(C(C)(C)C)C1 ZINC000810655443 631419160 /nfs/dbraw/zinc/41/91/60/631419160.db2.gz PNBDDOJNDCQGTD-RISCZKNCSA-N 0 1 257.349 2.707 20 30 CFEDMN CC(C)c1nccnc1NN=Cc1cnc(C2CC2)nc1 ZINC000841635896 631439793 /nfs/dbraw/zinc/43/97/93/631439793.db2.gz QPLAZULULBMYQI-UHFFFAOYSA-N 0 1 282.351 2.713 20 30 CFEDMN CC(NNc1ccc2c(cc[nH]c2=O)c1)=C1CC1(F)F ZINC000841637482 631440725 /nfs/dbraw/zinc/44/07/25/631440725.db2.gz TUXLFIRAXMBSCU-GFCCVEGCSA-N 0 1 277.274 2.971 20 30 CFEDMN CC([NH2+]Nc1ccc(C(=O)[O-])cc1F)=C1CC1(F)F ZINC000841642001 631441678 /nfs/dbraw/zinc/44/16/78/631441678.db2.gz ZOOONLICVYDNRY-QMMMGPOBSA-N 0 1 272.226 2.967 20 30 CFEDMN C#C[C@H]([NH2+][C@H](C)c1ccc(Cl)cc1[O-])[C@H]1CCCO1 ZINC000841751214 631465449 /nfs/dbraw/zinc/46/54/49/631465449.db2.gz GAZUPLIVJYEXOP-RIEGTJTDSA-N 0 1 279.767 2.877 20 30 CFEDMN C=C[C@H](CCC(=O)[O-])[NH2+]Cc1c(O)ccc(Cl)c1F ZINC000841811870 631474749 /nfs/dbraw/zinc/47/47/49/631474749.db2.gz PZTVRSNKEAHBBK-MRVPVSSYSA-N 0 1 287.718 2.694 20 30 CFEDMN C#CC[C@H](NC(=O)N1CCNC[C@@H]1CCC)c1ccccc1 ZINC000841865614 631483754 /nfs/dbraw/zinc/48/37/54/631483754.db2.gz UQERRENCVZQFTE-IRXDYDNUSA-N 0 1 299.418 2.535 20 30 CFEDMN C[C@@H]1C(N=Nc2cccnn2)CCN1Cc1ccccc1 ZINC000811643843 631590585 /nfs/dbraw/zinc/59/05/85/631590585.db2.gz NJYNWKOEQVSBQT-CYBMUJFWSA-N 0 1 281.363 2.539 20 30 CFEDMN C=C(C)CNN=C(C)c1ccc(N2CCOCC2)c(F)c1 ZINC000811651358 631593150 /nfs/dbraw/zinc/59/31/50/631593150.db2.gz TUWLDAVMHPIJGJ-UHFFFAOYSA-N 0 1 291.370 2.552 20 30 CFEDMN C=CCCCCCCCNc1ccncc1C(N)=O ZINC000811848135 631632133 /nfs/dbraw/zinc/63/21/33/631632133.db2.gz REAZUDMKEDKNFC-UHFFFAOYSA-N 0 1 261.369 2.541 20 30 CFEDMN C[C@@H]1CN=C(NN=Cc2ccc(C3CCCC3)cc2)N1 ZINC000812228003 631670642 /nfs/dbraw/zinc/67/06/42/631670642.db2.gz XZMWKEHNNCUQIO-GFCCVEGCSA-N 0 1 270.380 2.615 20 30 CFEDMN C[C@@H]1CN(Cc2ccccn2)CCC1=NOC1CCC1 ZINC000812235162 631673754 /nfs/dbraw/zinc/67/37/54/631673754.db2.gz NQDQACZXFAEJOB-CYBMUJFWSA-N 0 1 273.380 2.849 20 30 CFEDMN Cn1cc(/C=C/C(=O)c2ccccc2O)c(C(F)F)n1 ZINC000812243606 631677924 /nfs/dbraw/zinc/67/79/24/631677924.db2.gz PKBRCZUCBLHZTK-VOTSOKGWSA-N 0 1 278.258 2.959 20 30 CFEDMN C#CC[C@@H]1CCCN(Cn2cc(C)cnc2=S)C1 ZINC000842629367 631685944 /nfs/dbraw/zinc/68/59/44/631685944.db2.gz LTIWEWAQINSGMS-CYBMUJFWSA-N 0 1 261.394 2.614 20 30 CFEDMN C#CC[C@H]1CCCN(CN2C[C@@H](CC(C)C)CC2=O)C1 ZINC000842629588 631686121 /nfs/dbraw/zinc/68/61/21/631686121.db2.gz PTNIQUNBHDNDKL-HOTGVXAUSA-N 0 1 276.424 2.574 20 30 CFEDMN N#CC(C(=O)NC1CCCCC1)C(=O)C1CC2(CCC2)C1 ZINC000842686789 631707353 /nfs/dbraw/zinc/70/73/53/631707353.db2.gz RCFCFTGKBOFUEE-AWEZNQCLSA-N 0 1 288.391 2.724 20 30 CFEDMN CC(C)=CCC[C@H](C)CC(=O)[C@H](C#N)C(=O)NC(C)C ZINC000842689781 631708372 /nfs/dbraw/zinc/70/83/72/631708372.db2.gz FBQRDBSRWCPOSB-KBPBESRZSA-N 0 1 278.396 2.992 20 30 CFEDMN CC(C)(C)C[C@@H]1C[C@H]1C(=O)C(C#N)C(=O)Nc1ccccn1 ZINC000842693677 631709263 /nfs/dbraw/zinc/70/92/63/631709263.db2.gz KYPQLQBBGPLBHL-YNEHKIRRSA-N 0 1 299.374 2.801 20 30 CFEDMN C#CCN(CC(=O)N([C@@H](C)C1CC1)C1CC1)C1CCCC1 ZINC000155741421 650030266 /nfs/dbraw/zinc/03/02/66/650030266.db2.gz JZGJDOHWHWOYQO-AWEZNQCLSA-N 0 1 288.435 2.654 20 30 CFEDMN COC[C@H](C)[C@H](C)C(=O)[C@H](C#N)c1nc2cccc(C)c2[nH]1 ZINC000813069729 631825307 /nfs/dbraw/zinc/82/53/07/631825307.db2.gz KYPVLOHNRAYZHZ-AVGNSLFASA-N 0 1 299.374 2.966 20 30 CFEDMN N#C[C@H](C(=O)C[C@@H]1CCCO1)c1cc(C(F)(F)F)ccn1 ZINC000813212394 631881865 /nfs/dbraw/zinc/88/18/65/631881865.db2.gz BATHIEJPTUSOIV-QWRGUYRKSA-N 0 1 298.264 2.846 20 30 CFEDMN Cc1nc([C@H](C)NCc2cccc(OCCCC#N)c2)n[nH]1 ZINC000813331334 631904104 /nfs/dbraw/zinc/90/41/04/631904104.db2.gz JHKNFRUWMIOCPP-LBPRGKRZSA-N 0 1 299.378 2.647 20 30 CFEDMN C#C[C@H](NCc1ccc2c(c1)CCCC2)[C@@H]1CCCO1 ZINC000813776315 631958681 /nfs/dbraw/zinc/95/86/81/631958681.db2.gz UTKZUWBHQOYZKI-ROUUACIJSA-N 0 1 269.388 2.836 20 30 CFEDMN C#CC[C@H]1CCCN(C(=O)[C@H](c2ccccc2)N(C)CC)C1 ZINC000843672792 632019124 /nfs/dbraw/zinc/01/91/24/632019124.db2.gz CVRMYOGNMMFBSR-WMZOPIPTSA-N 0 1 298.430 2.941 20 30 CFEDMN C[C@H]1CN(c2ccccc2C=NOCC2CC2)CCO1 ZINC000814244378 632043733 /nfs/dbraw/zinc/04/37/33/632043733.db2.gz QDBOKCVIVPQOOK-ZDUSSCGKSA-N 0 1 274.364 2.672 20 30 CFEDMN CC(=NOCC1CC1)c1cccc(N2CCOCC2)c1 ZINC000814245406 632044585 /nfs/dbraw/zinc/04/45/85/632044585.db2.gz YYQAGGWFZCJECL-UHFFFAOYSA-N 0 1 274.364 2.674 20 30 CFEDMN Cc1nn(-c2ccncc2)cc1C=NOCCC1CC1 ZINC000814245343 632044939 /nfs/dbraw/zinc/04/49/39/632044939.db2.gz PELNXXBFMDTGEP-UHFFFAOYSA-N 0 1 270.336 2.726 20 30 CFEDMN C#CC1CCN(C(=O)c2cc(C3CCCCC3)[nH]n2)CC1 ZINC000844046700 632102505 /nfs/dbraw/zinc/10/25/05/632102505.db2.gz FIIGQGZTYVLOAV-UHFFFAOYSA-N 0 1 285.391 2.943 20 30 CFEDMN Cc1nocc1C=NNc1ccc2ccccc2n1 ZINC000814697370 632110809 /nfs/dbraw/zinc/11/08/09/632110809.db2.gz LPDPADNRLOQIEI-UHFFFAOYSA-N 0 1 252.277 2.977 20 30 CFEDMN COc1cccc(-c2n[nH]cc2CN=Nc2ccccn2)c1 ZINC000814731568 632115313 /nfs/dbraw/zinc/11/53/13/632115313.db2.gz DBRZONSEMVXMPU-UHFFFAOYSA-N 0 1 293.330 2.926 20 30 CFEDMN C#CCOCSc1nc(-c2ccc3c(c2)CCC3)n[nH]1 ZINC000814751630 632118116 /nfs/dbraw/zinc/11/81/16/632118116.db2.gz OZYTWAMISBADKB-UHFFFAOYSA-N 0 1 285.372 2.660 20 30 CFEDMN Cn1ncc(C=NN=c2nc[nH]c3sccc32)c1Cl ZINC000814767712 632120001 /nfs/dbraw/zinc/12/00/01/632120001.db2.gz RDERJEWPAKAOSQ-UHFFFAOYSA-N 0 1 292.755 2.524 20 30 CFEDMN C#CC[C@@H]1CCCN(C(=O)c2cc3[nH]cnc3cc2F)C1 ZINC000844148468 632127188 /nfs/dbraw/zinc/12/71/88/632127188.db2.gz TYWHCLZBDOJMKF-LLVKDONJSA-N 0 1 285.322 2.578 20 30 CFEDMN Cc1ccc(NN=Cc2nc3c(s2)CCC3)nc1 ZINC000814831648 632134369 /nfs/dbraw/zinc/13/43/69/632134369.db2.gz LAMUZHDDGRURIJ-UHFFFAOYSA-N 0 1 258.350 2.781 20 30 CFEDMN CC(=[NH+][N-]c1cc(C)ncn1)c1ccc(Cl)c(N)c1 ZINC000814846384 632136975 /nfs/dbraw/zinc/13/69/75/632136975.db2.gz PFEFZTTWMRSXPB-UHFFFAOYSA-N 0 1 275.743 2.857 20 30 CFEDMN CCc1cnc(C=NNc2ccc(F)cn2)s1 ZINC000814842758 632137287 /nfs/dbraw/zinc/13/72/87/632137287.db2.gz QZJGIEZUXFDIAU-UHFFFAOYSA-N 0 1 250.302 2.686 20 30 CFEDMN Cn1ncc(C=NNc2c(F)cccc2F)c1Cl ZINC000814852685 632138912 /nfs/dbraw/zinc/13/89/12/632138912.db2.gz KNEJRQUFVWHCAI-UHFFFAOYSA-N 0 1 270.670 2.798 20 30 CFEDMN C[C@H]1C(N=Nc2cccnn2)CCCN1Cc1ccccc1 ZINC000814852914 632138964 /nfs/dbraw/zinc/13/89/64/632138964.db2.gz UOMLLOJKKCGSTL-AWEZNQCLSA-N 0 1 295.390 2.929 20 30 CFEDMN c1cc2c3c(c1)C(=NOC1CCOCC1)CC[C@H]3CN2 ZINC000814906545 632158353 /nfs/dbraw/zinc/15/83/53/632158353.db2.gz ZLNMTCOLPVSMQC-NSHDSACASA-N 0 1 272.348 2.889 20 30 CFEDMN COCC(=NNc1nccn1C)c1ccc(Cl)cc1 ZINC000814918531 632164171 /nfs/dbraw/zinc/16/41/71/632164171.db2.gz UEHOWLUOWQTBLU-UHFFFAOYSA-N 0 1 278.743 2.536 20 30 CFEDMN Cc1nn(C)c(C)c1CN=Nc1ccc(F)c(F)c1F ZINC000814945236 632176968 /nfs/dbraw/zinc/17/69/68/632176968.db2.gz RSJCAHRIDNEPDY-UHFFFAOYSA-N 0 1 282.269 2.900 20 30 CFEDMN CC#CCN1CCC[C@@](O)(c2ccc(Cl)cc2)C1 ZINC000844373614 632182830 /nfs/dbraw/zinc/18/28/30/632182830.db2.gz NNQLENWZHPPSOU-HNNXBMFYSA-N 0 1 263.768 2.647 20 30 CFEDMN CC(C)CN(CCC#N)C[C@@H](O)Cc1ccc(F)cc1 ZINC000815052517 632192127 /nfs/dbraw/zinc/19/21/27/632192127.db2.gz RHZDNGIDTPXOMP-INIZCTEOSA-N 0 1 278.371 2.601 20 30 CFEDMN C#CCCN1CCN(Cc2ccc(C(C)C)nc2CC)CC1 ZINC000815077581 632197580 /nfs/dbraw/zinc/19/75/80/632197580.db2.gz UNLADBUHZMGUDD-UHFFFAOYSA-N 0 1 299.462 2.908 20 30 CFEDMN C=C[C@@H](C)ON=Cc1ccc(N2CCOCC2)c(F)c1 ZINC000844626146 632268709 /nfs/dbraw/zinc/26/87/09/632268709.db2.gz YVHAFCNSQVGNDZ-GFCCVEGCSA-N 0 1 278.327 2.587 20 30 CFEDMN N#CCCCOC(=O)[C@@H]1CCCCN1C1CCCC1 ZINC000815447256 632276948 /nfs/dbraw/zinc/27/69/48/632276948.db2.gz OVYWFYGMFWRYGM-AWEZNQCLSA-N 0 1 264.369 2.630 20 30 CFEDMN C#CCOc1ccc(NC(=O)c2cn[nH]c2C(C)(C)C)cc1 ZINC000815521928 632285671 /nfs/dbraw/zinc/28/56/71/632285671.db2.gz DRPSRTWNRXJPAM-UHFFFAOYSA-N 0 1 297.358 2.972 20 30 CFEDMN CCCC(N)=NOCCCOc1ccc(F)cc1 ZINC000105605116 632300896 /nfs/dbraw/zinc/30/08/96/632300896.db2.gz YCWOPNBXNOZLQY-UHFFFAOYSA-N 0 1 254.305 2.684 20 30 CFEDMN C=CCC(F)(F)C(=O)N1CCN(C2CCCCC2)CC1 ZINC000815825774 632324776 /nfs/dbraw/zinc/32/47/76/632324776.db2.gz JDHLVMYBCFGDAV-UHFFFAOYSA-N 0 1 286.366 2.675 20 30 CFEDMN N#CC(C(=O)Nc1ccccn1)C(=O)[C@H]1C[C@H]1C1CCCC1 ZINC000845445055 632436407 /nfs/dbraw/zinc/43/64/07/632436407.db2.gz FYRJSQXRIWWTHK-IHRRRGAJSA-N 0 1 297.358 2.555 20 30 CFEDMN CO[C@@H](C)CCC(=O)C(C#N)=C(O)C1(c2ccccc2)CC1 ZINC000845847096 632579779 /nfs/dbraw/zinc/57/97/79/632579779.db2.gz YKUJQAXZLHJTLA-DZGCQCFKSA-N 0 1 299.370 2.811 20 30 CFEDMN C=C(C)CC[C@H](C)OC(=O)CCCCc1cn[nH]n1 ZINC000845868963 632587424 /nfs/dbraw/zinc/58/74/24/632587424.db2.gz VJCQWVGZYUGVBA-LBPRGKRZSA-N 0 1 265.357 2.806 20 30 CFEDMN CC(C)N(CC(=O)NCCC#N)[C@@H](C)c1ccsc1 ZINC000817287974 632595014 /nfs/dbraw/zinc/59/50/14/632595014.db2.gz RVZFLFUKAFOWGT-LBPRGKRZSA-N 0 1 279.409 2.549 20 30 CFEDMN C#CC1CCN(Cc2cc(OC)c(OC)cc2F)CC1 ZINC000845988726 632608855 /nfs/dbraw/zinc/60/88/55/632608855.db2.gz CFEYCMOICHMYEF-UHFFFAOYSA-N 0 1 277.339 2.688 20 30 CFEDMN CN(Cc1cc(C#N)cs1)C[C@@H](O)c1cccc(C#N)c1 ZINC000846006320 632612032 /nfs/dbraw/zinc/61/20/32/632612032.db2.gz IEGYEGDAVAVMPV-MRXNPFEDSA-N 0 1 297.383 2.657 20 30 CFEDMN C#Cc1ccc(CN2C[C@H](C)OCC23CCC3)cc1 ZINC000846066963 632627477 /nfs/dbraw/zinc/62/74/77/632627477.db2.gz KDZJRSDMTBGUBH-AWEZNQCLSA-N 0 1 255.361 2.811 20 30 CFEDMN CCc1ccc(NC(=O)C(C#N)C(=O)[C@H]2CC23CC3)cc1 ZINC000817714275 632690507 /nfs/dbraw/zinc/69/05/07/632690507.db2.gz OXIZCWDJPVXORW-UONOGXRCSA-N 0 1 282.343 2.696 20 30 CFEDMN C=C(C)CONC(=O)[C@H]1CCc2c1cccc2Cl ZINC000846535542 632725692 /nfs/dbraw/zinc/72/56/92/632725692.db2.gz DRKDUUBJLQXJOC-LBPRGKRZSA-N 0 1 265.740 2.994 20 30 CFEDMN C=C(C)CONC(=O)Cc1nc(-c2ccccc2)oc1C ZINC000846538155 632727973 /nfs/dbraw/zinc/72/79/73/632727973.db2.gz RBBGASLHVCGSEX-UHFFFAOYSA-N 0 1 286.331 2.816 20 30 CFEDMN C=C[C@H](C)ONC(=O)C(C)(C)c1ccc(F)cc1 ZINC000846544912 632733017 /nfs/dbraw/zinc/73/30/17/632733017.db2.gz LGNXKCLFUUSWJL-JTQLQIEISA-N 0 1 251.301 2.726 20 30 CFEDMN C=C[C@H](C)ONC(=O)Cc1csc(-c2ccc(C)o2)n1 ZINC000846545642 632734085 /nfs/dbraw/zinc/73/40/85/632734085.db2.gz YDIANQHPOLHRER-VIFPVBQESA-N 0 1 292.360 2.876 20 30 CFEDMN C=C[C@@H](C)ONC(=O)[C@@H]1CCCc2sccc21 ZINC000846547702 632736506 /nfs/dbraw/zinc/73/65/06/632736506.db2.gz LUCIOAIAUDAKPZ-MWLCHTKSSA-N 0 1 251.351 2.790 20 30 CFEDMN C=C[C@H](C)ONC(=O)[C@@H](C)[C@H]1OCCc2sccc21 ZINC000846552444 632739860 /nfs/dbraw/zinc/73/98/60/632739860.db2.gz HSPBQZWPHKNMAF-OUJBWJOFSA-N 0 1 281.377 2.620 20 30 CFEDMN COC(OC)c1ccc(F)c(CNCC2(CC#N)CC2)c1 ZINC000818211215 632813167 /nfs/dbraw/zinc/81/31/67/632813167.db2.gz AHALCKUIKUMYQN-UHFFFAOYSA-N 0 1 292.354 2.901 20 30 CFEDMN C#C[C@@H]1CCCN(Cc2ccc(C(F)(F)F)cn2)C1 ZINC000847017304 632882823 /nfs/dbraw/zinc/88/28/23/632882823.db2.gz BPJYAYATWTVDDE-LLVKDONJSA-N 0 1 268.282 2.946 20 30 CFEDMN C#C[C@@H]1CCCN(Cc2cc(=O)[nH]c(-c3ccccc3)n2)C1 ZINC000847018562 632883610 /nfs/dbraw/zinc/88/36/10/632883610.db2.gz LDFDIWNZFYJFGY-CQSZACIVSA-N 0 1 293.370 2.694 20 30 CFEDMN C#C[C@H]1CCCN([C@@H](C)C(=O)NCCC2=CCCCC2)C1 ZINC000847022641 632887677 /nfs/dbraw/zinc/88/76/77/632887677.db2.gz IIWCIYCLRRLXKM-HOTGVXAUSA-N 0 1 288.435 2.727 20 30 CFEDMN C#C[C@@H]1CCCN([C@H](C)C(=O)Nc2cccc(C)c2C)C1 ZINC000847028617 632894849 /nfs/dbraw/zinc/89/48/49/632894849.db2.gz JNRHAGVLUOIDIW-HZPDHXFCSA-N 0 1 284.403 2.976 20 30 CFEDMN C#C[C@H]1CCCN(CC(=O)N(c2ccccc2)C(C)C)C1 ZINC000847031542 632896117 /nfs/dbraw/zinc/89/61/17/632896117.db2.gz UAPIFLSQFHGACN-INIZCTEOSA-N 0 1 284.403 2.773 20 30 CFEDMN N#CC(C(=O)CCCc1ccc(F)cc1)c1ccncn1 ZINC000847684278 633040774 /nfs/dbraw/zinc/04/07/74/633040774.db2.gz ZTHDWYKMYAXHGZ-CQSZACIVSA-N 0 1 283.306 2.815 20 30 CFEDMN C#CCCC[C@H](C)OC(=O)[C@]1(F)CCN(C(C)(C)C)C1 ZINC000847867279 633117670 /nfs/dbraw/zinc/11/76/70/633117670.db2.gz JNXVHWJXSJGREK-BBRMVZONSA-N 0 1 283.387 2.934 20 30 CFEDMN C#CCNC(=O)CCNc1ccc(N2CCCCCC2)cc1 ZINC000819395583 633146134 /nfs/dbraw/zinc/14/61/34/633146134.db2.gz RBPDCSCGHKQDEO-UHFFFAOYSA-N 0 1 299.418 2.618 20 30 CFEDMN C#CCOc1ccc(C(=O)OCc2cc(C3CC3)[nH]n2)cc1 ZINC000848013868 633186894 /nfs/dbraw/zinc/18/68/94/633186894.db2.gz YGDIKNDKTKUDPE-UHFFFAOYSA-N 0 1 296.326 2.656 20 30 CFEDMN C=C(C)CO[N-]C(=O)[C@@H](c1ccc(Cl)cc1)[NH+](C)C ZINC000848245020 633223036 /nfs/dbraw/zinc/22/30/36/633223036.db2.gz RHXYTINTOCOQJT-CYBMUJFWSA-N 0 1 282.771 2.567 20 30 CFEDMN Cc1cc(N=NC2CCc3c2cccc3[N+](=O)[O-])nc(C)n1 ZINC000848403622 633249880 /nfs/dbraw/zinc/24/98/80/633249880.db2.gz WXVBCJLSCHWWGA-UHFFFAOYSA-N 0 1 297.318 2.764 20 30 CFEDMN C#C[C@H]1CCCN(Cn2cnc3cc(F)c(F)cc32)C1 ZINC000848494122 633267231 /nfs/dbraw/zinc/26/72/31/633267231.db2.gz VDWGSFLZKIVOMN-NSHDSACASA-N 0 1 275.302 2.617 20 30 CFEDMN C#C[C@@H]1CCCN(c2cc[nH+]c3c([O-])cccc23)C1 ZINC000848750099 633334273 /nfs/dbraw/zinc/33/42/73/633334273.db2.gz BWUVJGTYZLQAQX-GFCCVEGCSA-N 0 1 252.317 2.790 20 30 CFEDMN C#C[C@H]1CCCN(C/C=C/c2ccccc2[N+](=O)[O-])C1 ZINC000848924461 633408068 /nfs/dbraw/zinc/40/80/68/633408068.db2.gz SUKLMQQYYWWTPJ-MRZGDXHCSA-N 0 1 270.332 2.953 20 30 CFEDMN Cc1ccc(C(=O)/C=C\c2cn(C3CCC3)nn2)c(O)c1 ZINC000849247045 633590066 /nfs/dbraw/zinc/59/00/66/633590066.db2.gz OSVQLVIPHHDQLX-VURMDHGXSA-N 0 1 283.331 2.913 20 30 CFEDMN C#CC[C@H]1CCC[N@H+]([C@H](C(=O)[O-])c2ccccc2)C1 ZINC000849344092 633622813 /nfs/dbraw/zinc/62/28/13/633622813.db2.gz BINDFKXFSOEAMY-ZFWWWQNUSA-N 0 1 257.333 2.548 20 30 CFEDMN C#CC[C@@H]1CCC[N@H+](Cc2cc(C)c(C(=O)[O-])o2)C1 ZINC000849345176 633622922 /nfs/dbraw/zinc/62/29/22/633622922.db2.gz VEUGRWROWRPVEN-GFCCVEGCSA-N 0 1 261.321 2.522 20 30 CFEDMN C#CC[C@@H]1CCC[N@H+](Cc2cccc(C(=O)[O-])c2)C1 ZINC000849344870 633623072 /nfs/dbraw/zinc/62/30/72/633623072.db2.gz ROVVKWANMXMRQB-CYBMUJFWSA-N 0 1 257.333 2.620 20 30 CFEDMN C#CC[C@H]1CCC[N@H+](Cc2cc(C)c(C(=O)[O-])o2)C1 ZINC000849345177 633623237 /nfs/dbraw/zinc/62/32/37/633623237.db2.gz VEUGRWROWRPVEN-LBPRGKRZSA-N 0 1 261.321 2.522 20 30 CFEDMN C=CCC1(NS(=O)(=O)c2ccccc2O)CCCCC1 ZINC000849396326 633630727 /nfs/dbraw/zinc/63/07/27/633630727.db2.gz COPQCMHURLVNKA-UHFFFAOYSA-N 0 1 295.404 2.950 20 30 CFEDMN C=CCCNCc1cnn(-c2cc(C)cc(C)c2)n1 ZINC000850354555 633951856 /nfs/dbraw/zinc/95/18/56/633951856.db2.gz NFKOZKPQCAQWKW-UHFFFAOYSA-N 0 1 256.353 2.550 20 30 CFEDMN C#Cc1ccc(CNCc2c(C3CCC3)cnn2C)cc1 ZINC000850393673 633974429 /nfs/dbraw/zinc/97/44/29/633974429.db2.gz QCIVQCXDWQMMCN-UHFFFAOYSA-N 0 1 279.387 2.959 20 30 CFEDMN N#CC(C(=O)C1[C@H]2CCCCCC[C@H]12)C(=O)N1CCCC1 ZINC000850752859 634079871 /nfs/dbraw/zinc/07/98/71/634079871.db2.gz UEHDXLIKADJBID-MELADBBJSA-N 0 1 288.391 2.534 20 30 CFEDMN N#CC(C(=O)NC1CC1)C(=O)[C@H]1CC[C@H](C2CCC2)CC1 ZINC000850760459 634081809 /nfs/dbraw/zinc/08/18/09/634081809.db2.gz ZNSNSHIGKBLVMD-YDHLFZDLSA-N 0 1 288.391 2.580 20 30 CFEDMN Cc1cc(C(C#N)C(=O)[C@@H](C)Cc2ccco2)nc(C)n1 ZINC000850756339 634082001 /nfs/dbraw/zinc/08/20/01/634082001.db2.gz RCZYFXLXHUBVGV-HZMBPMFUSA-N 0 1 283.331 2.742 20 30 CFEDMN N#Cc1cncc(CNC2(c3cccc(F)c3)CC2)c1 ZINC000930229064 634107098 /nfs/dbraw/zinc/10/70/98/634107098.db2.gz YKBAKOLDERKHKV-UHFFFAOYSA-N 0 1 267.307 2.871 20 30 CFEDMN Cc1cccc2nc([C@@H](C#N)C(=O)[C@@H](C)CC#N)[nH]c21 ZINC000850850331 634110147 /nfs/dbraw/zinc/11/01/47/634110147.db2.gz UTSFCIUQRKPDKT-QWRGUYRKSA-N 0 1 266.304 2.597 20 30 CFEDMN N#C[C@H](C(=O)[C@H]1CCCC2(CC2)C1)c1ccncn1 ZINC000850947695 634148805 /nfs/dbraw/zinc/14/88/05/634148805.db2.gz JNGXAPIMPOAJHL-RYUDHWBXSA-N 0 1 255.321 2.623 20 30 CFEDMN CO[C@@H](C(=O)C(C#N)c1cnc2ccccc2n1)C1CCC1 ZINC000850984650 634166940 /nfs/dbraw/zinc/16/69/40/634166940.db2.gz AELBMCNZNYSVMD-YVEFUNNKSA-N 0 1 295.342 2.621 20 30 CFEDMN C=C(C)CN1CC[C@H](NC(=O)c2csc(C)c2C)C1 ZINC001014562900 651188806 /nfs/dbraw/zinc/18/88/06/651188806.db2.gz MZJJPEXWQAMIFL-ZDUSSCGKSA-N 0 1 278.421 2.745 20 30 CFEDMN C=CC[C@@H](C(=O)O[C@@H](C)c1nnc[nH]1)c1ccccc1 ZINC000853226490 634945496 /nfs/dbraw/zinc/94/54/96/634945496.db2.gz XTKLJLOQYLTADJ-WCQYABFASA-N 0 1 271.320 2.769 20 30 CFEDMN C#CCOc1ccc([C@H](C)NCc2ccnn2CC)cc1 ZINC000853239922 634948800 /nfs/dbraw/zinc/94/88/00/634948800.db2.gz KHZAYVCDBLYYFA-AWEZNQCLSA-N 0 1 283.375 2.766 20 30 CFEDMN Cn1ncc(C2CC2)c1C=NNc1nc2ccccc2[nH]1 ZINC000853262353 634954917 /nfs/dbraw/zinc/95/49/17/634954917.db2.gz RJGJXDOJBSODSC-UHFFFAOYSA-N 0 1 280.335 2.620 20 30 CFEDMN CC(C)n1ccnc1C=N[N-]c1[nH+]c2ccccc2n1C ZINC000853290980 634959882 /nfs/dbraw/zinc/95/98/82/634959882.db2.gz RLTLQGLRCOIZDA-UHFFFAOYSA-N 0 1 282.351 2.797 20 30 CFEDMN C#CCCCOc1cccnc1NCc1cc(CC)[nH]n1 ZINC000853323075 634968345 /nfs/dbraw/zinc/96/83/45/634968345.db2.gz OHZITPRVVPGFHK-UHFFFAOYSA-N 0 1 284.363 2.771 20 30 CFEDMN Cc1cccc(F)c1N=NC1CCCn2nccc21 ZINC000853334889 634973857 /nfs/dbraw/zinc/97/38/57/634973857.db2.gz TYUXFPZTDVQSBD-UHFFFAOYSA-N 0 1 258.300 2.941 20 30 CFEDMN C(=NNC1CCCCC1)c1ccnn1-c1ccncc1 ZINC000853336677 634974509 /nfs/dbraw/zinc/97/45/09/634974509.db2.gz JGMIICPFCJGSTF-UHFFFAOYSA-N 0 1 269.352 2.524 20 30 CFEDMN Cc1cccnc1N=NCc1c(C2CCC2)cnn1C ZINC000853338229 634975493 /nfs/dbraw/zinc/97/54/93/634975493.db2.gz GXBKMAQBWUBDFK-UHFFFAOYSA-N 0 1 269.352 2.837 20 30 CFEDMN CCCn1nccc1C=NNc1cccc(Cl)n1 ZINC000853349600 634979566 /nfs/dbraw/zinc/97/95/66/634979566.db2.gz CEQQSGHMUCDSIO-UHFFFAOYSA-N 0 1 263.732 2.788 20 30 CFEDMN Fc1ccc(N=NCc2cn(C3CCC3)nn2)c(F)c1F ZINC000853351937 634980698 /nfs/dbraw/zinc/98/06/98/634980698.db2.gz ZTAWJOGGFDODPW-UHFFFAOYSA-N 0 1 295.268 2.866 20 30 CFEDMN CCc1nc2c(s1)C(=NNc1ccncc1F)CCC2 ZINC000853401816 634994487 /nfs/dbraw/zinc/99/44/87/634994487.db2.gz FBVIRFOPLTUYJG-UHFFFAOYSA-N 0 1 290.367 2.814 20 30 CFEDMN CCC(=NNc1nnc(C)n1C)c1cc(F)ccc1F ZINC000853433085 634998519 /nfs/dbraw/zinc/99/85/19/634998519.db2.gz VYRLUKJDMGNRFT-UHFFFAOYSA-N 0 1 279.294 2.628 20 30 CFEDMN Cc1nn(C)c(C)c1C=NNc1ccc(Cl)cn1 ZINC000853438176 634999926 /nfs/dbraw/zinc/99/99/26/634999926.db2.gz QRLCQSQKQKOGDE-UHFFFAOYSA-N 0 1 263.732 2.531 20 30 CFEDMN C=CC[C@@H]1CCCN(Cn2c3ccccc3oc2=O)C1 ZINC000853536424 635030415 /nfs/dbraw/zinc/03/04/15/635030415.db2.gz SMFSQGYQEQIEAN-CYBMUJFWSA-N 0 1 272.348 2.840 20 30 CFEDMN C=CC[C@@H]1CCCN(CN2CC[C@H](C(C)C)C2=O)C1 ZINC000853537106 635031474 /nfs/dbraw/zinc/03/14/74/635031474.db2.gz PBOLWJCMVCHKQC-HUUCEWRRSA-N 0 1 264.413 2.737 20 30 CFEDMN C=CC[C@H]1CCCN(CN2CC3(CCCC3)OC2=O)C1 ZINC000853537037 635031639 /nfs/dbraw/zinc/03/16/39/635031639.db2.gz NGFWQVXDXXZYBI-AWEZNQCLSA-N 0 1 278.396 2.997 20 30 CFEDMN C=CC[C@H]1CCCN(CN2CC[C@@H](C(C)C)C2=O)C1 ZINC000853537105 635031688 /nfs/dbraw/zinc/03/16/88/635031688.db2.gz PBOLWJCMVCHKQC-GJZGRUSLSA-N 0 1 264.413 2.737 20 30 CFEDMN C=CC[C@@H]1CCCN(CN2C[C@@H](c3cccnc3)CC2=O)C1 ZINC000853537158 635032228 /nfs/dbraw/zinc/03/22/28/635032228.db2.gz QFNSNCWZMKEFGR-WBVHZDCISA-N 0 1 299.418 2.643 20 30 CFEDMN N#Cc1cccn(CN2CCCC[C@@H]2CC2CCC2)c1=O ZINC000853605580 635048007 /nfs/dbraw/zinc/04/80/07/635048007.db2.gz MWTXQROQHUWFFC-MRXNPFEDSA-N 0 1 285.391 2.722 20 30 CFEDMN CC#CCCCC(=O)n1[nH]c(=O)c2ccc(OC)cc21 ZINC000854506146 635320780 /nfs/dbraw/zinc/32/07/80/635320780.db2.gz POMDLTKUGJRDTC-UHFFFAOYSA-N 0 1 272.304 2.584 20 30 CFEDMN C#C[C@H]1CCCN(C(=O)c2cc(CCCCC)[nH]n2)C1 ZINC000855048222 635450355 /nfs/dbraw/zinc/45/03/55/635450355.db2.gz RLBZZUQZCUMXAL-ZDUSSCGKSA-N 0 1 273.380 2.628 20 30 CFEDMN C=CCCONC(=O)C(C)(C)c1cc(F)cc(C#N)c1 ZINC000856036189 635709986 /nfs/dbraw/zinc/70/99/86/635709986.db2.gz VFLAYHFIMFJLBP-UHFFFAOYSA-N 0 1 276.311 2.599 20 30 CFEDMN C#CCOc1ccccc1CNCc1cncc(OCC)c1 ZINC000856770360 635852309 /nfs/dbraw/zinc/85/23/09/635852309.db2.gz HTJFPWUBXRCRPZ-UHFFFAOYSA-N 0 1 296.370 2.782 20 30 CFEDMN CCCc1ccc(C=NNc2nnc(C)n2C)s1 ZINC000857211955 635947886 /nfs/dbraw/zinc/94/78/86/635947886.db2.gz FTPLHMDURMUPFL-UHFFFAOYSA-N 0 1 263.370 2.584 20 30 CFEDMN N#Cc1ccc2c(c1)CC[C@@H]2N[C@H]1CCCc2c[nH]nc21 ZINC000857866737 636040443 /nfs/dbraw/zinc/04/04/43/636040443.db2.gz XSVVEHBHZXKJDL-HOTGVXAUSA-N 0 1 278.359 2.936 20 30 CFEDMN CC#CCN1CCC[C@H](Oc2ccc(C3CC3)cn2)C1 ZINC000858017028 636116912 /nfs/dbraw/zinc/11/69/12/636116912.db2.gz JWHKCYMKPKLTOH-INIZCTEOSA-N 0 1 270.376 2.826 20 30 CFEDMN C#CC[C@@H](CCOC)[NH2+]Cc1cc(Cl)ccc1[O-] ZINC000858333552 636192759 /nfs/dbraw/zinc/19/27/59/636192759.db2.gz JOKPGIYKJHXHEU-ZDUSSCGKSA-N 0 1 267.756 2.564 20 30 CFEDMN C#CC[C@H](COC)Nc1ccnc2cc(F)c(OC)cc21 ZINC000858860452 636362875 /nfs/dbraw/zinc/36/28/75/636362875.db2.gz LCZZJNCXRVZORG-LLVKDONJSA-N 0 1 288.322 2.833 20 30 CFEDMN C=CC[C@@H]1CCN(Cc2c(Cl)ncnc2N(C)C)C1 ZINC000859445160 636565911 /nfs/dbraw/zinc/56/59/11/636565911.db2.gz CYEGCLTYYLWWFR-LLVKDONJSA-N 0 1 280.803 2.594 20 30 CFEDMN C#Cc1ccc(C[N@@H+]2CCC[C@H](C(C)(C)C(=O)[O-])C2)cc1 ZINC000859811926 636704074 /nfs/dbraw/zinc/70/40/74/636704074.db2.gz GNUCQAAHWRYHNL-INIZCTEOSA-N 0 1 285.387 2.991 20 30 CFEDMN C#CCOCCN1CCc2cc(C(F)(F)F)ccc2C1 ZINC000859908139 636740291 /nfs/dbraw/zinc/74/02/91/636740291.db2.gz YCIOWKXKFRSTJP-UHFFFAOYSA-N 0 1 283.293 2.713 20 30 CFEDMN CCO[C@@H](C(=O)C(C#N)c1nc(C)cs1)C(C)C ZINC000860450063 636886911 /nfs/dbraw/zinc/88/69/11/636886911.db2.gz LOYQPBBTEVBYDA-ZYHUDNBSSA-N 0 1 266.366 2.689 20 30 CFEDMN CCC[C@@H](OCC)C(=O)C(C#N)c1nc(C)cs1 ZINC000860450376 636887080 /nfs/dbraw/zinc/88/70/80/636887080.db2.gz QQQOBGUZCPIAFP-WDEREUQCSA-N 0 1 266.366 2.833 20 30 CFEDMN CCO[C@H](C(=O)C(C#N)c1nc(C)cs1)C(C)C ZINC000860450061 636887181 /nfs/dbraw/zinc/88/71/81/636887181.db2.gz LOYQPBBTEVBYDA-PWSUYJOCSA-N 0 1 266.366 2.689 20 30 CFEDMN N#CC(C(=O)[C@H]1[C@@H]2c3ccccc3C[C@H]12)c1ccccn1 ZINC000860467275 636892600 /nfs/dbraw/zinc/89/26/00/636892600.db2.gz IHZKGVYRPAFJCG-XJNFMUPTSA-N 0 1 274.323 2.844 20 30 CFEDMN C#CCN1CCC[C@H]1COC(=O)C1(C)CCC(F)(F)CC1 ZINC000860530037 636905455 /nfs/dbraw/zinc/90/54/55/636905455.db2.gz PYXUGEHCUKUPQZ-ZDUSSCGKSA-N 0 1 299.361 2.843 20 30 CFEDMN N#CC(C(=O)CC1CCC(F)(F)CC1)c1ccncn1 ZINC000860655096 636938940 /nfs/dbraw/zinc/93/89/40/636938940.db2.gz BDJCDQHIZJLTNU-NSHDSACASA-N 0 1 279.290 2.868 20 30 CFEDMN C=CC[C@H](C)OC(=O)[C@]1(F)CCN(C(C)(C)C)C1 ZINC000860896737 637005667 /nfs/dbraw/zinc/00/56/67/637005667.db2.gz QKMMIEBDPWVNFM-FZMZJTMJSA-N 0 1 257.349 2.707 20 30 CFEDMN C#CCn1ccc(CN(CC)C[C@@]2(C)CCCS2)n1 ZINC000862351851 637327821 /nfs/dbraw/zinc/32/78/21/637327821.db2.gz TUIHJVHDGDFSLY-OAHLLOKOSA-N 0 1 277.437 2.624 20 30 CFEDMN C#CC[C@@H]1CCN(Cc2ncccc2C(F)(F)F)C1 ZINC000862444723 637384837 /nfs/dbraw/zinc/38/48/37/637384837.db2.gz GDOMHKKDJCKNMA-LLVKDONJSA-N 0 1 268.282 2.946 20 30 CFEDMN FC(F)(F)c1ccnc(N=NC2C[N@H+]3C[C@@H]2CCC3)c1 ZINC000863116684 637562250 /nfs/dbraw/zinc/56/22/50/637562250.db2.gz XBCNCHGAULFAFR-VIFPVBQESA-N 0 1 284.285 2.594 20 30 CFEDMN FC(F)(F)c1ccnc(N=NC2CN3C[C@@H]2CCC3)c1 ZINC000863116684 637562253 /nfs/dbraw/zinc/56/22/53/637562253.db2.gz XBCNCHGAULFAFR-VIFPVBQESA-N 0 1 284.285 2.594 20 30 CFEDMN COc1ccc(C(C)=NNc2ccncc2C)cc1OC ZINC000863156731 637570398 /nfs/dbraw/zinc/57/03/98/637570398.db2.gz ALRITINTXGSTPF-UHFFFAOYSA-N 0 1 285.347 2.665 20 30 CFEDMN COCCOc1ccc(C(C)=NNc2ccncc2C)cc1 ZINC000863156816 637570701 /nfs/dbraw/zinc/57/07/01/637570701.db2.gz CNIYSKITIRURNG-UHFFFAOYSA-N 0 1 299.374 2.673 20 30 CFEDMN Cc1cnccc1NN=C1c2ccccc2C[C@H]1C ZINC000863157495 637571407 /nfs/dbraw/zinc/57/14/07/637571407.db2.gz NOLABWZJHAWHJM-LLVKDONJSA-N 0 1 251.333 2.820 20 30 CFEDMN CCn1nc(C)c(CN=Nc2cccc(C)n2)c1C ZINC000863159920 637574600 /nfs/dbraw/zinc/57/46/00/637574600.db2.gz KGDGYOYIDBAPIM-UHFFFAOYSA-N 0 1 257.341 2.669 20 30 CFEDMN C=CCCCCCCNC(=O)CN(C)C1CCC1 ZINC000863915815 637810309 /nfs/dbraw/zinc/81/03/09/637810309.db2.gz IUAFMOYQCGDANT-UHFFFAOYSA-N 0 1 252.402 2.723 20 30 CFEDMN C=CC[C@H](OC(=O)CCc1nc[nH]n1)c1ccccc1 ZINC000189243391 650368925 /nfs/dbraw/zinc/36/89/25/650368925.db2.gz XYFODVRTUMEUNH-ZDUSSCGKSA-N 0 1 271.320 2.598 20 30 CFEDMN CCCCCCCC(=O)N1CC[C@@H](c2[nH]ncc2N)C1 ZINC000864379480 637956495 /nfs/dbraw/zinc/95/64/95/637956495.db2.gz OFXQIJNNDLWCBB-GFCCVEGCSA-N 0 1 278.400 2.668 20 30 CFEDMN CCCn1cc(/C=C\C(=O)c2ccc(C)cc2O)nn1 ZINC000865220790 638226827 /nfs/dbraw/zinc/22/68/27/638226827.db2.gz QGOHYRGBWJXTSC-ALCCZGGFSA-N 0 1 271.320 2.598 20 30 CFEDMN Cc1ccnc(CNCCCCC#N)c1Br ZINC000865448591 638341649 /nfs/dbraw/zinc/34/16/49/638341649.db2.gz JBCBJONBWWPROR-UHFFFAOYSA-N 0 1 282.185 2.936 20 30 CFEDMN C#CCOc1ccc(CNCc2cncc(OC)c2C)cc1 ZINC000865588719 638443355 /nfs/dbraw/zinc/44/33/55/638443355.db2.gz DXTRENAOUPJGES-UHFFFAOYSA-N 0 1 296.370 2.700 20 30 CFEDMN Cc1nocc1CNCc1ccc(N(C)CCC#N)cc1 ZINC000865677974 638506185 /nfs/dbraw/zinc/50/61/85/638506185.db2.gz QYZXYWPQNBIUOI-UHFFFAOYSA-N 0 1 284.363 2.623 20 30 CFEDMN C=CC1CCN(C(=O)c2c(Cl)[nH]nc2C2CC2)CC1 ZINC000865699186 638523872 /nfs/dbraw/zinc/52/38/72/638523872.db2.gz ZEVANESQRRGDOR-UHFFFAOYSA-N 0 1 279.771 2.979 20 30 CFEDMN C[C@@H](NCc1cccc(OCCCC#N)c1)c1ccnn1C ZINC000865838122 638604046 /nfs/dbraw/zinc/60/40/46/638604046.db2.gz DAPKTYIFFZINEC-CQSZACIVSA-N 0 1 298.390 2.953 20 30 CFEDMN N#C[C@@H]1CC[C@@H](NCc2noc3ccc(F)cc32)C1 ZINC000866510350 638832568 /nfs/dbraw/zinc/83/25/68/638832568.db2.gz AGKWTEZNMOSGIE-MWLCHTKSSA-N 0 1 259.284 2.749 20 30 CFEDMN N#C[C@@H]1CC[C@@H](NCc2noc3cc(F)ccc32)C1 ZINC000866614007 638854978 /nfs/dbraw/zinc/85/49/78/638854978.db2.gz WNODMGXIVGVKKY-MWLCHTKSSA-N 0 1 259.284 2.749 20 30 CFEDMN CCCCC[C@@H](C)NC(=O)[C@H]1NCCc2cc(C#N)ccc21 ZINC000867942999 638907572 /nfs/dbraw/zinc/90/75/72/638907572.db2.gz JBUMKSJEAIYGBZ-DYVFJYSZSA-N 0 1 299.418 2.830 20 30 CFEDMN CC[C@H](C)C[C@@H](C)NC(=O)[C@@H]1NCCc2cc(C#N)ccc21 ZINC000867953199 638908469 /nfs/dbraw/zinc/90/84/69/638908469.db2.gz PPJIHLYWUSMAJH-OGHNNQOOSA-N 0 1 299.418 2.686 20 30 CFEDMN C[C@H](CNC(=O)[C@@H]1NCCc2cc(C#N)ccc21)C(C)(C)C ZINC000867953517 638908611 /nfs/dbraw/zinc/90/86/11/638908611.db2.gz YQHBUZXFLDSXDN-MLGOLLRUSA-N 0 1 299.418 2.543 20 30 CFEDMN CCC(C)(C)[C@H](C)NC(=O)[C@@H]1NCCc2cc(C#N)ccc21 ZINC000867984753 638911380 /nfs/dbraw/zinc/91/13/80/638911380.db2.gz SABBLKDTCBNMAT-BLLLJJGKSA-N 0 1 299.418 2.686 20 30 CFEDMN C[C@@H]1C[C@@H]1[C@@H]1C[C@H]1C(=O)C(C#N)C(=O)Nc1ccccc1 ZINC000870137642 639527345 /nfs/dbraw/zinc/52/73/45/639527345.db2.gz YYHPAPZAGKDEDL-BGNCJLHMSA-N 0 1 282.343 2.626 20 30 CFEDMN Cc1cccc(NC(=O)C(C#N)C(=O)[C@@H]2C[C@@H]2[C@@H]2C[C@H]2C)c1 ZINC000870136554 639527794 /nfs/dbraw/zinc/52/77/94/639527794.db2.gz LJWWESZSWMYUPJ-JPIRQXTESA-N 0 1 296.370 2.935 20 30 CFEDMN N#CC(C(=O)C1([C@H]2CCCCO2)CCC1)c1ccccn1 ZINC000870136141 639528121 /nfs/dbraw/zinc/52/81/21/639528121.db2.gz IETLFVCMQBQOTO-DZGCQCFKSA-N 0 1 284.359 2.997 20 30 CFEDMN CCCCCCNC(=O)C(C#N)C(=O)[C@@H]1C[C@@H]1[C@H]1C[C@H]1C ZINC000870134264 639528152 /nfs/dbraw/zinc/52/81/52/639528152.db2.gz LYCHTXJOBSJUIF-XLWJZTARSA-N 0 1 290.407 2.684 20 30 CFEDMN CC[C@@H](CC(=O)[C@@H](C#N)C(=O)NC(C)C)C(C)(C)C ZINC000870145848 639529318 /nfs/dbraw/zinc/52/93/18/639529318.db2.gz RHQMEPUUAPGCLL-NWDGAFQWSA-N 0 1 266.385 2.682 20 30 CFEDMN C=C(C)C[N@H+](CC)Cc1cc(=O)oc2cc(O)ccc12 ZINC000192802416 650598021 /nfs/dbraw/zinc/59/80/21/650598021.db2.gz MPEUTMOWYKGGEW-UHFFFAOYSA-N 0 1 273.332 2.897 20 30 CFEDMN C=C(C)C[N@@H+](CC)Cc1cc(=O)oc2cc([O-])ccc12 ZINC000192802416 650598026 /nfs/dbraw/zinc/59/80/26/650598026.db2.gz MPEUTMOWYKGGEW-UHFFFAOYSA-N 0 1 273.332 2.897 20 30 CFEDMN C=C(C)C[N@H+](CC)Cc1cc(=O)oc2cc([O-])ccc12 ZINC000192802416 650598030 /nfs/dbraw/zinc/59/80/30/650598030.db2.gz MPEUTMOWYKGGEW-UHFFFAOYSA-N 0 1 273.332 2.897 20 30 CFEDMN CN(C)c1ccc(C(N)=NOCc2ccc(F)cc2)cc1 ZINC000079863363 650625534 /nfs/dbraw/zinc/62/55/34/650625534.db2.gz RABGTIMPNZFOME-UHFFFAOYSA-N 0 1 287.338 2.729 20 30 CFEDMN C/C(=C/C(=O)Nc1nc2ccc(C#N)cc2[nH]1)C1CC1 ZINC000871069918 641183537 /nfs/dbraw/zinc/18/35/37/641183537.db2.gz BXWMQYSFEIKIJI-TWGQIWQCSA-N 0 1 266.304 2.729 20 30 CFEDMN N#Cc1ccc2nc(NC(=O)[C@]34C[C@H]3CCCC4)[nH]c2c1 ZINC000871070776 641184784 /nfs/dbraw/zinc/18/47/84/641184784.db2.gz COULGBNVJCNLCJ-BDJLRTHQSA-N 0 1 280.331 2.953 20 30 CFEDMN N#Cc1ccc2nc(NC(=O)CC[C@H]3CCCCO3)[nH]c2c1 ZINC000871070297 641184793 /nfs/dbraw/zinc/18/47/93/641184793.db2.gz JFLKSSRQQFOEKB-GFCCVEGCSA-N 0 1 298.346 2.722 20 30 CFEDMN CO[C@H]1CCCC[C@@H]1C(=O)Nc1nc2ccc(C#N)cc2[nH]1 ZINC000871071783 641185195 /nfs/dbraw/zinc/18/51/95/641185195.db2.gz FENCRWSRPOOWRC-FZMZJTMJSA-N 0 1 298.346 2.578 20 30 CFEDMN CC(C)(C(=O)Nc1nc2ccc(C#N)cc2[nH]1)C(F)F ZINC000871073218 641186552 /nfs/dbraw/zinc/18/65/52/641186552.db2.gz UBDDHTKRSWQLGQ-UHFFFAOYSA-N 0 1 278.262 2.664 20 30 CFEDMN N#Cc1ccc2nc(NC(=O)[C@H]3CC34CCCC4)[nH]c2c1 ZINC000871073246 641186672 /nfs/dbraw/zinc/18/66/72/641186672.db2.gz UZZCGONQIBUVHO-LLVKDONJSA-N 0 1 280.331 2.953 20 30 CFEDMN C[C@@H](CC(F)(F)F)C(=O)Nc1nc2ccc(C#N)cc2[nH]1 ZINC000871073387 641188189 /nfs/dbraw/zinc/18/81/89/641188189.db2.gz ZRMLDOZLPBRZNK-ZETCQYMHSA-N 0 1 296.252 2.962 20 30 CFEDMN C[C@H]1CC[C@H](CCC(=O)Nc2nc3ccc(C#N)cc3[nH]2)O1 ZINC000871073375 641188339 /nfs/dbraw/zinc/18/83/39/641188339.db2.gz ZIUXQSBQTBMFLZ-CMPLNLGQSA-N 0 1 298.346 2.721 20 30 CFEDMN N#CC1CCN(Cc2cc(Cl)ccc2O)CC1 ZINC000123706334 641365055 /nfs/dbraw/zinc/36/50/55/641365055.db2.gz UBXVTKVGMWXGPR-UHFFFAOYSA-N 0 1 250.729 2.781 20 30 CFEDMN Cc1cccc(C#N)c1SCCN1C[C@H]2CC[C@@H](C1)O2 ZINC000871690846 641406425 /nfs/dbraw/zinc/40/64/25/641406425.db2.gz GNDNMLVQFICIPB-GASCZTMLSA-N 0 1 288.416 2.822 20 30 CFEDMN N#CCc1ccsc1-c1nc(C2(N)CCCC2)no1 ZINC000871787309 641456833 /nfs/dbraw/zinc/45/68/33/641456833.db2.gz VDDABFWDPSNMPU-UHFFFAOYSA-N 0 1 274.349 2.592 20 30 CFEDMN N#Cc1c[nH]c2cc(-c3nc([C@H]4CCCN4)no3)ccc12 ZINC000871788031 641457705 /nfs/dbraw/zinc/45/77/05/641457705.db2.gz FFAIQZGIUWPHKE-GFCCVEGCSA-N 0 1 279.303 2.514 20 30 CFEDMN N#Cc1c[nH]c2cc(-c3nc([C@@H]4CCCN4)no3)ccc12 ZINC000871788035 641457763 /nfs/dbraw/zinc/45/77/63/641457763.db2.gz FFAIQZGIUWPHKE-LBPRGKRZSA-N 0 1 279.303 2.514 20 30 CFEDMN Cc1[nH]n(-c2ccc(F)cc2C)c(=O)c1CCC#N ZINC000871947767 641522955 /nfs/dbraw/zinc/52/29/55/641522955.db2.gz CZJCIAWOUDYMFD-GFCCVEGCSA-N 0 1 259.284 2.777 20 30 CFEDMN CC[C@H]1C(=O)N(c2cc(C#N)cc(Cl)n2)N=C1C(C)C ZINC000871954769 641527973 /nfs/dbraw/zinc/52/79/73/641527973.db2.gz NFMBIRDGVIPJQT-SNVBAGLBSA-N 0 1 290.754 2.991 20 30 CFEDMN N#C[C@@H]1CC[C@H](NCc2nc(-c3ccncc3)cs2)C1 ZINC000872120672 641650017 /nfs/dbraw/zinc/65/00/17/641650017.db2.gz FJMJIUACDPQIDJ-YPMHNXCESA-N 0 1 284.388 2.987 20 30 CFEDMN C#C[C@H]1CC[C@H](N[C@@H](C)c2ncc(C(=O)OC)s2)CC1 ZINC000872140195 641668388 /nfs/dbraw/zinc/66/83/88/641668388.db2.gz ZDXLCDOLBDIQMN-SRVKXCTJSA-N 0 1 292.404 2.772 20 30 CFEDMN CC1(C)[C@H]2[C@H](CCCN2CC#Cc2ccc(F)cc2)[C@@H]1O ZINC000872259070 641723023 /nfs/dbraw/zinc/72/30/23/641723023.db2.gz KPENARQLDMQPBW-BBWFWOEESA-N 0 1 287.378 2.659 20 30 CFEDMN CSCCCCC(=O)C(C#N)C(=O)Nc1ccccc1 ZINC000124003963 641724648 /nfs/dbraw/zinc/72/46/48/641724648.db2.gz NXMJFQPMRPWILF-CYBMUJFWSA-N 0 1 290.388 2.867 20 30 CFEDMN CC1(C)C[C@@H](NN=Cc2ccc(F)c(F)c2O)CCO1 ZINC000872365730 641772514 /nfs/dbraw/zinc/77/25/14/641772514.db2.gz DHQKLCXFPYVCRP-JTQLQIEISA-N 0 1 284.306 2.552 20 30 CFEDMN CC[C@H](C)CON=C1CCCN2CCSC[C@H]12 ZINC000872376497 641780409 /nfs/dbraw/zinc/78/04/09/641780409.db2.gz HORUQVYVFNRSTP-WCQYABFASA-N 0 1 256.415 2.616 20 30 CFEDMN Cc1cc(Br)cnc1N=NC1CCN(C)[C@@H]1C ZINC000872382075 641783525 /nfs/dbraw/zinc/78/35/25/641783525.db2.gz ICQPPLZHEBTCDT-SECBINFHSA-N 0 1 297.200 2.644 20 30 CFEDMN FC(F)(F)c1cc(C=NNC[C@H]2CCCC2(F)F)[nH]n1 ZINC000872407466 641796926 /nfs/dbraw/zinc/79/69/26/641796926.db2.gz ULCRWMQCBDHWOB-SSDOTTSWSA-N 0 1 296.243 2.787 20 30 CFEDMN C=C[C@H](C)NC(=O)N1CCC[C@H](c2cc(C(C)C)[nH]n2)C1 ZINC000872934779 641966508 /nfs/dbraw/zinc/96/65/08/641966508.db2.gz FZNUVJRTXFFNMW-STQMWFEESA-N 0 1 290.411 2.997 20 30 CFEDMN CC1(C)CO[C@H](CNCc2cccc(F)c2C#N)C1 ZINC000873153480 642035065 /nfs/dbraw/zinc/03/50/65/642035065.db2.gz UUMANJPPXRHDJB-LBPRGKRZSA-N 0 1 262.328 2.602 20 30 CFEDMN CCCCCCCS(=O)(=O)NCC(F)(F)C(F)F ZINC000194820648 650729517 /nfs/dbraw/zinc/72/95/17/650729517.db2.gz CGZQNSAWIWAYLH-UHFFFAOYSA-N 0 1 293.326 2.777 20 30 CFEDMN Cc1ccc2[nH]ncc2c1C(=O)OCC1(C#N)CCC1 ZINC000873488798 642220062 /nfs/dbraw/zinc/22/00/62/642220062.db2.gz WRXGBELKHDQNFJ-UHFFFAOYSA-N 0 1 269.304 2.722 20 30 CFEDMN C#Cc1cccc(NC(=O)[C@H]2CCN2C2CCCC2)c1 ZINC000873893261 642305368 /nfs/dbraw/zinc/30/53/68/642305368.db2.gz CMTDCBNRXPAYBF-MRXNPFEDSA-N 0 1 268.360 2.623 20 30 CFEDMN CC(C)(C)c1ccc([C@H](C#N)NC(=O)CN2CCCC2)cc1 ZINC000874447636 642387877 /nfs/dbraw/zinc/38/78/77/642387877.db2.gz ULTURHXKAIKGIB-INIZCTEOSA-N 0 1 299.418 2.761 20 30 CFEDMN Cc1cc(F)c(C#N)cc1NC(=O)CN(C)CC(C)(C)C ZINC000874902985 642547693 /nfs/dbraw/zinc/54/76/93/642547693.db2.gz BVALMKNKDWEKJK-UHFFFAOYSA-N 0 1 291.370 2.922 20 30 CFEDMN CCCCCCCNC(=O)NCc1n[nH]c(C(C)C)n1 ZINC000875631028 642655160 /nfs/dbraw/zinc/65/51/60/642655160.db2.gz MVBADWKXZFGPCQ-UHFFFAOYSA-N 0 1 281.404 2.698 20 30 CFEDMN Cc1ccc(C(=O)C(C#N)c2nc3ccccc3n2C)nc1 ZINC000125906245 642847279 /nfs/dbraw/zinc/84/72/79/642847279.db2.gz HIKPDZRRNJNHHS-LBPRGKRZSA-N 0 1 290.326 2.767 20 30 CFEDMN CCCCCCC[C@H](C)CNC(=O)c1cnc(CN)nc1 ZINC000876611435 642944718 /nfs/dbraw/zinc/94/47/18/642944718.db2.gz FNASEGQFMWTCBZ-ZDUSSCGKSA-N 0 1 292.427 2.662 20 30 CFEDMN CC1=CCN(Cc2cc(C#N)ccc2N(C)C)CC1 ZINC000876749099 642992748 /nfs/dbraw/zinc/99/27/48/642992748.db2.gz IICYECSXOITEMY-UHFFFAOYSA-N 0 1 255.365 2.776 20 30 CFEDMN C[C@H](C#N)Oc1ccc(CN2CCSCC2)cc1 ZINC000126187637 643028590 /nfs/dbraw/zinc/02/85/90/643028590.db2.gz HHPIWJSALAYFOD-GFCCVEGCSA-N 0 1 262.378 2.526 20 30 CFEDMN Cc1noc(C)c1CCNCc1cc(C#N)cnc1Cl ZINC000877011496 643103256 /nfs/dbraw/zinc/10/32/56/643103256.db2.gz FBDHVOBXBGVHFI-UHFFFAOYSA-N 0 1 290.754 2.544 20 30 CFEDMN C#CC[C@@H](NCc1cc(C(=O)OC)c(C)[nH]1)c1ccccc1 ZINC000877119586 643160779 /nfs/dbraw/zinc/16/07/79/643160779.db2.gz IGQHXHUVERYGNO-QGZVFWFLSA-N 0 1 296.370 2.964 20 30 CFEDMN N#CC(C(=O)Cc1ccc(F)c(F)c1)c1ccccn1 ZINC000088803630 650820707 /nfs/dbraw/zinc/82/07/07/650820707.db2.gz RVMWWJIAQHGDSE-LLVKDONJSA-N 0 1 272.254 2.779 20 30 CFEDMN C#C[C@H](C)N(C)Cc1ccc2ccc(F)c(F)c2n1 ZINC000877479390 643296066 /nfs/dbraw/zinc/29/60/66/643296066.db2.gz CGJGSMXDANSKQQ-JTQLQIEISA-N 0 1 260.287 2.967 20 30 CFEDMN CC1(C)SC[C@H]1NCc1cc(C#N)cnc1Cl ZINC000877503790 643314676 /nfs/dbraw/zinc/31/46/76/643314676.db2.gz ASHDFMFZFDGOLK-SNVBAGLBSA-N 0 1 267.785 2.590 20 30 CFEDMN C#C[C@@H](CC)NCc1c(C(F)(F)F)nc2n1CCCC2 ZINC000877512946 643320206 /nfs/dbraw/zinc/32/02/06/643320206.db2.gz GUAHLJDBVSDVGG-JTQLQIEISA-N 0 1 285.313 2.740 20 30 CFEDMN C#C[C@@H](CC)NCc1cc(OC)c(OC)cc1Cl ZINC000877513582 643320286 /nfs/dbraw/zinc/32/02/86/643320286.db2.gz YSFDLGWQGKOQCF-NSHDSACASA-N 0 1 267.756 2.859 20 30 CFEDMN C[C@]1(CCCO)CCCN1Cc1cc(C#N)cnc1Cl ZINC000877528499 643333304 /nfs/dbraw/zinc/33/33/04/643333304.db2.gz BWSZJDKAISVKPY-OAHLLOKOSA-N 0 1 293.798 2.734 20 30 CFEDMN C#CCCCCCCNCc1csc(COC)n1 ZINC000877538721 643341213 /nfs/dbraw/zinc/34/12/13/643341213.db2.gz CPCOMPLOYLINTF-UHFFFAOYSA-N 0 1 266.410 2.963 20 30 CFEDMN C#C[C@@H]1CCCN(Cc2c(OC)cccc2OC)C1 ZINC000877616528 643402443 /nfs/dbraw/zinc/40/24/43/643402443.db2.gz DAQWWYXDNVFURB-CYBMUJFWSA-N 0 1 259.349 2.549 20 30 CFEDMN C#C[C@@H]1CCC[N@H+](Cc2ccc(C(F)F)nc2)C1 ZINC000877617307 643403947 /nfs/dbraw/zinc/40/39/47/643403947.db2.gz NKJFSCLLXFRUQJ-LLVKDONJSA-N 0 1 250.292 2.864 20 30 CFEDMN C#C[C@@H]1CCCN(Cc2ccc(C(F)F)nc2)C1 ZINC000877617307 643403950 /nfs/dbraw/zinc/40/39/50/643403950.db2.gz NKJFSCLLXFRUQJ-LLVKDONJSA-N 0 1 250.292 2.864 20 30 CFEDMN N#CC[C@@H]1CCC[N@H+](Cc2ccc(F)c(F)c2[O-])C1 ZINC000877622223 643408955 /nfs/dbraw/zinc/40/89/55/643408955.db2.gz IVOOLEXAKHPTBI-JTQLQIEISA-N 0 1 266.291 2.796 20 30 CFEDMN CN(C)c1ccc(C#N)cc1CN(C)CC1=CCSC1 ZINC000877641131 643425919 /nfs/dbraw/zinc/42/59/19/643425919.db2.gz MYVQBNJJEUELFQ-UHFFFAOYSA-N 0 1 287.432 2.729 20 30 CFEDMN C#CC[C@@H]1CC[N@H+](Cc2ccc(F)c(F)c2[O-])C1 ZINC000877651203 643432037 /nfs/dbraw/zinc/43/20/37/643432037.db2.gz SGSMITBWNKGIDV-SNVBAGLBSA-N 0 1 251.276 2.516 20 30 CFEDMN C=C(C)C[C@@H](NCc1cccc(Cl)c1O)C(=O)OC ZINC000877690894 643456301 /nfs/dbraw/zinc/45/63/01/643456301.db2.gz WCHDVKJYUOVLEI-GFCCVEGCSA-N 0 1 283.755 2.643 20 30 CFEDMN CC(C)NC(=O)C(C#N)C(=O)[C@@H]1CC[C@H]2CCCC[C@H]2C1 ZINC000245893841 650842636 /nfs/dbraw/zinc/84/26/36/650842636.db2.gz JWLFYJUEZQWKDV-LXTVHRRPSA-N 0 1 290.407 2.826 20 30 CFEDMN N#Cc1c(F)cccc1CN1CC[C@@H]2CSC[C@@H]2C1 ZINC000877741201 643510378 /nfs/dbraw/zinc/51/03/78/643510378.db2.gz XUPCTOVFIKDXGN-OLZOCXBDSA-N 0 1 276.380 2.882 20 30 CFEDMN C#CCOc1ccccc1CNc1cc(OC)ccn1 ZINC000089805896 650855026 /nfs/dbraw/zinc/85/50/26/650855026.db2.gz YJJFMSBDHOXBQD-UHFFFAOYSA-N 0 1 268.316 2.714 20 30 CFEDMN C=CC[C@H](C)[N@@H+](C)Cc1nc2ccccc2c(=O)[nH]1 ZINC000877949437 643658801 /nfs/dbraw/zinc/65/88/01/643658801.db2.gz FJIRCVIXNCPWEP-NSHDSACASA-N 0 1 257.337 2.732 20 30 CFEDMN C=CC[C@H](C)N(C)Cc1nc2ccccc2c(=O)[nH]1 ZINC000877949437 643658803 /nfs/dbraw/zinc/65/88/03/643658803.db2.gz FJIRCVIXNCPWEP-NSHDSACASA-N 0 1 257.337 2.732 20 30 CFEDMN N#Cc1ccc(O)c(NC(=O)c2scnc2C2CC2)c1 ZINC000089846888 650856144 /nfs/dbraw/zinc/85/61/44/650856144.db2.gz ZVKQTRPSSPFNQG-UHFFFAOYSA-N 0 1 285.328 2.850 20 30 CFEDMN C#CCCCCCN1CCN(C(=O)c2ccsc2)CC1 ZINC000877975053 643675162 /nfs/dbraw/zinc/67/51/62/643675162.db2.gz CTIHZASVOHUQPB-UHFFFAOYSA-N 0 1 290.432 2.700 20 30 CFEDMN C=CC[C@H](C(=O)OC)N(CC)CCc1cccs1 ZINC000878015247 643693504 /nfs/dbraw/zinc/69/35/04/643693504.db2.gz UBTCEIBPCUKFFO-CYBMUJFWSA-N 0 1 267.394 2.730 20 30 CFEDMN CC(C)(C)OC(=O)NC[C@H]1CC[N@@H+](CC2(CC#N)CC2)C1 ZINC000878032438 643702801 /nfs/dbraw/zinc/70/28/01/643702801.db2.gz PXEQCHJHLQKZCK-CYBMUJFWSA-N 0 1 293.411 2.527 20 30 CFEDMN CN(C(=O)OC(C)(C)C)[C@H]1CCN(CC2(CC#N)CC2)C1 ZINC000878169546 643775579 /nfs/dbraw/zinc/77/55/79/643775579.db2.gz QNIFVVNDPFPODU-ZDUSSCGKSA-N 0 1 293.411 2.621 20 30 CFEDMN C#CCCCCCN1CC[S@@](=O)C(CC)(CC)C1 ZINC000878440307 643895593 /nfs/dbraw/zinc/89/55/93/643895593.db2.gz GVCPNHIHUSFMAV-GOSISDBHSA-N 0 1 269.454 2.803 20 30 CFEDMN C#C[C@@H](NCc1cnc(OC)c2ccccc12)[C@H]1CCCO1 ZINC000878453693 643901120 /nfs/dbraw/zinc/90/11/20/643901120.db2.gz MSETUUJZTCQFIH-IAGOWNOFSA-N 0 1 296.370 2.514 20 30 CFEDMN Cc1ccc(C#N)cc1NC(=O)[C@@H]1c2cn[nH]c2CC[C@H]1C ZINC000878524992 643927793 /nfs/dbraw/zinc/92/77/93/643927793.db2.gz JOOBCEPJMFWODW-BZNIZROVSA-N 0 1 294.358 2.894 20 30 CFEDMN C#CC[C@H]1CCCN(Cc2nnc(-c3cccc(O)c3)o2)C1 ZINC000878761676 644018032 /nfs/dbraw/zinc/01/80/32/644018032.db2.gz QSRJQXQCENFEFO-ZDUSSCGKSA-N 0 1 297.358 2.678 20 30 CFEDMN C=CC1CCN(C(=O)[C@H]2c3cn[nH]c3CC[C@@H]2C)CC1 ZINC000878804612 644033670 /nfs/dbraw/zinc/03/36/70/644033670.db2.gz XFKMWBKOHUEEFV-XHDPSFHLSA-N 0 1 273.380 2.500 20 30 CFEDMN C=C/C=C\CCN1CCN(c2ccsc2C#N)CC1 ZINC000878887426 644062983 /nfs/dbraw/zinc/06/29/83/644062983.db2.gz GTXHCYWBEUZPMS-ARJAWSKDSA-N 0 1 273.405 2.874 20 30 CFEDMN N#Cc1ccc(C2CCN(C/C=C\Cl)CC2)nc1 ZINC000879026811 644117639 /nfs/dbraw/zinc/11/76/39/644117639.db2.gz WYQTWSSDSHXDCA-BHQIHCQQSA-N 0 1 261.756 2.885 20 30 CFEDMN CC1(C)CO[C@@H](CCC(=O)Nc2cc(C#N)ccc2O)C1 ZINC000879066622 644130469 /nfs/dbraw/zinc/13/04/69/644130469.db2.gz PZHRKXLXIKOKFS-LBPRGKRZSA-N 0 1 288.347 2.798 20 30 CFEDMN C=C(C)C[N@@H+]1C[C@H](NC(=O)OC(C)(C)C)C[C@@H]1C ZINC000879223120 644180780 /nfs/dbraw/zinc/18/07/80/644180780.db2.gz LZIOSIODNRHNLC-NWDGAFQWSA-N 0 1 254.374 2.550 20 30 CFEDMN N#Cc1cnccc1CN1CCC[C@H]1[C@H](O)c1ccccc1 ZINC000879245527 644191745 /nfs/dbraw/zinc/19/17/45/644191745.db2.gz KRVHGTXUBZGFSH-ZWKOTPCHSA-N 0 1 293.370 2.651 20 30 CFEDMN CN(CC[C@H](O)c1ccccc1)[C@H]1CCC[C@H]1C#N ZINC000879308563 644216547 /nfs/dbraw/zinc/21/65/47/644216547.db2.gz CRSMHUVYUCEKJL-JYJNAYRXSA-N 0 1 258.365 2.734 20 30 CFEDMN CN(CCCOc1ccc(C#N)cc1)[C@@H]1CCC[C@@H]1C#N ZINC000879308528 644216937 /nfs/dbraw/zinc/21/69/37/644216937.db2.gz PYAXWYJEMJQPTL-NVXWUHKLSA-N 0 1 283.375 2.951 20 30 CFEDMN C=CC(C)(C)CC(=O)N1CCN(CCOC)[C@H](CCC)C1 ZINC000879348545 644239790 /nfs/dbraw/zinc/23/97/90/644239790.db2.gz BEJJPUJUKYLWHC-OAHLLOKOSA-N 0 1 296.455 2.548 20 30 CFEDMN C=CCCC[C@H](C)NC(=O)[C@H]1c2cn[nH]c2CC[C@H]1C ZINC000879391959 644254635 /nfs/dbraw/zinc/25/46/35/644254635.db2.gz QPYIKVZGEYNSIT-TYNCELHUSA-N 0 1 275.396 2.937 20 30 CFEDMN C=C(Br)CN1CC[C@@H]2CSC[C@@H]2C1 ZINC000879559303 644319081 /nfs/dbraw/zinc/31/90/81/644319081.db2.gz REWUGWGCQKXDFO-ZJUUUORDSA-N 0 1 262.216 2.580 20 30 CFEDMN N#Cc1cc(F)ccc1CN1CC[C@@H]2CSC[C@@H]2C1 ZINC000879560824 644320523 /nfs/dbraw/zinc/32/05/23/644320523.db2.gz YNCMWBUWCXSDOK-OCCSQVGLSA-N 0 1 276.380 2.882 20 30 CFEDMN CN(Cc1cnc2ccc(C#N)cn12)Cc1ccccc1O ZINC000091956718 650912293 /nfs/dbraw/zinc/91/22/93/650912293.db2.gz QGRCQCFRBIOKTD-UHFFFAOYSA-N 0 1 292.342 2.544 20 30 CFEDMN N#CCC[C@H](C#N)CN[C@@H]1CC=CC[C@H]1C(F)(F)F ZINC000879667856 644372985 /nfs/dbraw/zinc/37/29/85/644372985.db2.gz UVINNGXPIJTUIV-IJLUTSLNSA-N 0 1 271.286 2.917 20 30 CFEDMN C[C@@H](NCC#Cc1ccc(Cl)cc1)c1ccnn1C ZINC000879685618 644380448 /nfs/dbraw/zinc/38/04/48/644380448.db2.gz YOYABTCTTLTLHI-GFCCVEGCSA-N 0 1 273.767 2.776 20 30 CFEDMN C#CCCCCN[C@H](c1ncc[nH]1)c1ccccc1 ZINC000128032141 644438432 /nfs/dbraw/zinc/43/84/32/644438432.db2.gz JYEGEAULBXDLQQ-HNNXBMFYSA-N 0 1 253.349 2.892 20 30 CFEDMN CC(C)(O)[C@H]1CCCN(Cc2cn3ccccc3c2C#N)C1 ZINC000879960614 644477180 /nfs/dbraw/zinc/47/71/80/644477180.db2.gz JGWQQRMBJHPDEC-HNNXBMFYSA-N 0 1 297.402 2.794 20 30 CFEDMN CC(=O)Nc1ccc2c(c1)CN([C@@H]1CC[C@@H](C#N)C1)CC2 ZINC000880032292 644507954 /nfs/dbraw/zinc/50/79/54/644507954.db2.gz CEJSZZLFJJJSGT-CXAGYDPISA-N 0 1 283.375 2.695 20 30 CFEDMN CCC#C[C@H](C)N1CC[C@H](C(F)(F)F)O[C@H](C)C1 ZINC000880062476 644519144 /nfs/dbraw/zinc/51/91/44/644519144.db2.gz MYRNMVCYZPPYBF-QJPTWQEYSA-N 0 1 263.303 2.830 20 30 CFEDMN C=C(CC)CN1CC[C@H](C(F)(F)F)O[C@@H](C)C1 ZINC000880061821 644519249 /nfs/dbraw/zinc/51/92/49/644519249.db2.gz BGSOCQCBRLSABN-WDEREUQCSA-N 0 1 251.292 2.994 20 30 CFEDMN COCC1([N@@H+](C)Cc2cccc(C#N)c2F)CCC1 ZINC000880185954 644569629 /nfs/dbraw/zinc/56/96/29/644569629.db2.gz KJNBQVDOHAAPIH-UHFFFAOYSA-N 0 1 262.328 2.698 20 30 CFEDMN COCC1(N(C)Cc2cccc(C#N)c2F)CCC1 ZINC000880185954 644569638 /nfs/dbraw/zinc/56/96/38/644569638.db2.gz KJNBQVDOHAAPIH-UHFFFAOYSA-N 0 1 262.328 2.698 20 30 CFEDMN C[C@H](C(=O)Nc1cccc(C#N)c1)N1CCC[C@H](CF)C1 ZINC000880233867 644594738 /nfs/dbraw/zinc/59/47/38/644594738.db2.gz OGMNMHRCSAIDGM-TZMCWYRMSA-N 0 1 289.354 2.567 20 30 CFEDMN CCN(Cc1ccc(C#N)o1)[C@@H](CO)c1ccccc1 ZINC000880462913 644721051 /nfs/dbraw/zinc/72/10/51/644721051.db2.gz KVOWREUVTWFEDJ-INIZCTEOSA-N 0 1 270.332 2.707 20 30 CFEDMN C#CCC1(O)CCN(Cc2cccc(Cl)c2)CC1 ZINC000880476824 644729498 /nfs/dbraw/zinc/72/94/98/644729498.db2.gz HCZAOYWNLGYLAQ-UHFFFAOYSA-N 0 1 263.768 2.690 20 30 CFEDMN C=CC(C)(C)CC(=O)NC[C@@H]1CCN1Cc1ccccc1 ZINC000880768529 644833490 /nfs/dbraw/zinc/83/34/90/644833490.db2.gz SXFKXIYRMQOOAH-INIZCTEOSA-N 0 1 286.419 2.979 20 30 CFEDMN C[C@@H]1C[C@@H]1C(=O)C(C#N)C(=O)Nc1ccc(F)c(Cl)c1 ZINC000249724009 650967269 /nfs/dbraw/zinc/96/72/69/650967269.db2.gz OKIHUWPUQRSOLE-JEZHCXPESA-N 0 1 294.713 2.782 20 30 CFEDMN CC[C@H](C(=O)Nc1ccc(C2CC2)c(C#N)c1)N(C)C ZINC000882312457 645278272 /nfs/dbraw/zinc/27/82/72/645278272.db2.gz PPVMWUNJDYAXDV-OAHLLOKOSA-N 0 1 271.364 2.714 20 30 CFEDMN C[C@H](c1ccccc1)N1CCN(c2cccnc2C#N)CC1 ZINC000882810424 645467983 /nfs/dbraw/zinc/46/79/83/645467983.db2.gz KYQSGADAHYRLPT-OAHLLOKOSA-N 0 1 292.386 2.836 20 30 CFEDMN C#CC[C@@H](CO)NCc1cc(C(F)(F)F)ccc1Cl ZINC000883123673 645612205 /nfs/dbraw/zinc/61/22/05/645612205.db2.gz HBEKHXJSFJBMMI-NSHDSACASA-N 0 1 291.700 2.833 20 30 CFEDMN C#CC[C@H](CO)NCc1oc2ccccc2c1Cl ZINC000883125690 645614559 /nfs/dbraw/zinc/61/45/59/645614559.db2.gz QVNBTWRXOJCPBA-SNVBAGLBSA-N 0 1 263.724 2.560 20 30 CFEDMN C=CCC[C@@H](COc1ccccc1)NCc1cc[nH]n1 ZINC000883187422 645649619 /nfs/dbraw/zinc/64/96/19/645649619.db2.gz NRSKPRLCTIIOPX-HNNXBMFYSA-N 0 1 271.364 2.913 20 30 CFEDMN C=CCC[C@H](NCc1ccn(CC)n1)[C@H]1CCCO1 ZINC000883228754 645678197 /nfs/dbraw/zinc/67/81/97/645678197.db2.gz SXUWDCDFAWSELJ-LSDHHAIUSA-N 0 1 263.385 2.506 20 30 CFEDMN C=CCC[C@H](NCc1ncccn1)[C@@H]1Cc2ccccc2O1 ZINC000883235507 645683836 /nfs/dbraw/zinc/68/38/36/645683836.db2.gz FDLYKDDAOFWAAU-RDJZCZTQSA-N 0 1 295.386 2.905 20 30 CFEDMN C[C@@]1(CNCc2nc(C#N)cs2)OCCc2ccccc21 ZINC000883338685 645748206 /nfs/dbraw/zinc/74/82/06/645748206.db2.gz GIAHVPFOHPCHAM-INIZCTEOSA-N 0 1 299.399 2.592 20 30 CFEDMN C#CC1(NCc2cc(OC)ccc2OCOC)CCCC1 ZINC000883362345 645769745 /nfs/dbraw/zinc/76/97/45/645769745.db2.gz ABHUIKRAYQXOFK-UHFFFAOYSA-N 0 1 289.375 2.714 20 30 CFEDMN C#CC1(NCc2ccc(Br)cn2)CCCC1 ZINC000883362377 645769770 /nfs/dbraw/zinc/76/97/70/645769770.db2.gz BEOSMCZFHAVSDW-UHFFFAOYSA-N 0 1 279.181 2.880 20 30 CFEDMN C=C(C)C[C@@H](CO)N[C@@H](C)c1c(F)cccc1[N+](=O)[O-] ZINC000883392786 645792093 /nfs/dbraw/zinc/79/20/93/645792093.db2.gz ORZQCTYRPSJHKU-QWRGUYRKSA-N 0 1 282.315 2.712 20 30 CFEDMN C=C(C)C[C@H](CO)N[C@@H](C)c1c(F)cccc1[N+](=O)[O-] ZINC000883392787 645792593 /nfs/dbraw/zinc/79/25/93/645792593.db2.gz ORZQCTYRPSJHKU-WDEREUQCSA-N 0 1 282.315 2.712 20 30 CFEDMN C=C(C)C[C@@H](CO)NCc1ncc(C(C)C)s1 ZINC000883400606 645797643 /nfs/dbraw/zinc/79/76/43/645797643.db2.gz QTJFKRYSPKEFTB-NSHDSACASA-N 0 1 254.399 2.683 20 30 CFEDMN C=CC[C@H](C)[N@H+]1C[C@H](C(=O)[O-])[C@@H](c2ccccc2)C1 ZINC000883409278 645806002 /nfs/dbraw/zinc/80/60/02/645806002.db2.gz SNRIJILBPIGQHP-CFVMTHIKSA-N 0 1 259.349 2.751 20 30 CFEDMN C=CCN(Cc1cccs1)C(=O)NC[C@H]1CCN1CC ZINC000883893980 646028016 /nfs/dbraw/zinc/02/80/16/646028016.db2.gz VTVMMQIBSVFMKY-CYBMUJFWSA-N 0 1 293.436 2.540 20 30 CFEDMN C=CC[C@H]1CCN(C(=O)[C@H](N)Cc2cc3ccccc3o2)C1 ZINC000884429518 646353114 /nfs/dbraw/zinc/35/31/14/646353114.db2.gz LORWIJUTTQVGTD-XJKSGUPXSA-N 0 1 298.386 2.727 20 30 CFEDMN CC[C@@]1(C)CN(CCCOc2ccc(C#N)cc2)CCO1 ZINC000135687235 646577189 /nfs/dbraw/zinc/57/71/89/646577189.db2.gz NKPSLHXBZWYOMP-KRWDZBQOSA-N 0 1 288.391 2.828 20 30 CFEDMN C[C@@H]1CCc2[nH]ncc2[C@H]1C(=O)OCc1ccccc1C#N ZINC000885260507 646651337 /nfs/dbraw/zinc/65/13/37/646651337.db2.gz QTXZICSHCQQAIF-BZNIZROVSA-N 0 1 295.342 2.691 20 30 CFEDMN C#CCCCCCOC(=O)C1CCCN(C(C)(C)C)C1=O ZINC000885481403 646695413 /nfs/dbraw/zinc/69/54/13/646695413.db2.gz PXVDMLOARLVYET-AWEZNQCLSA-N 0 1 293.407 2.760 20 30 CFEDMN C#Cc1ccc(NC(=O)CN(C)CCC)c(Cl)c1 ZINC000885673479 646734856 /nfs/dbraw/zinc/73/48/56/646734856.db2.gz OQKVKVPAXXEVQP-UHFFFAOYSA-N 0 1 264.756 2.602 20 30 CFEDMN C=CCN(Cc1cccs1)C[C@@](C)(O)C(F)F ZINC000885932817 646772757 /nfs/dbraw/zinc/77/27/57/646772757.db2.gz COICCRBZKYIJQL-GFCCVEGCSA-N 0 1 261.337 2.752 20 30 CFEDMN CN(Cc1cc(Cl)cn1C)C[C@@H](O)CC1(C#N)CCC1 ZINC000886038934 646834760 /nfs/dbraw/zinc/83/47/60/646834760.db2.gz FHAYXZVYGFGMIW-AWEZNQCLSA-N 0 1 295.814 2.555 20 30 CFEDMN COc1ccc(NCc2n[nH]c(C)c2C)cc1C#N ZINC000886181642 646910347 /nfs/dbraw/zinc/91/03/47/646910347.db2.gz QLYNCAKQVVNASQ-UHFFFAOYSA-N 0 1 256.309 2.519 20 30 CFEDMN C#CC[C@@H]1CC[N@H+](CC(=O)N(C)[C@H](C)c2ccccc2)C1 ZINC000886353289 646982795 /nfs/dbraw/zinc/98/27/95/646982795.db2.gz GBPCIOWRUQPSNH-HZPDHXFCSA-N 0 1 284.403 2.551 20 30 CFEDMN C#CC[C@H]1CC[N@H+](CC(=O)N(Cc2ccccc2)C(C)C)C1 ZINC000886353483 646983069 /nfs/dbraw/zinc/98/30/69/646983069.db2.gz KCEJIGVSHCKYPD-KRWDZBQOSA-N 0 1 298.430 2.769 20 30 CFEDMN C#CC[C@@H]1CCN(Cc2ccn(-c3ccccc3F)n2)C1 ZINC000886364091 646988591 /nfs/dbraw/zinc/98/85/91/646988591.db2.gz OIQBSQJSLYEUAW-CQSZACIVSA-N 0 1 283.350 2.857 20 30 CFEDMN C#CC[C@@H]1CCN(Cc2cc(OC)c(F)cc2[N+](=O)[O-])C1 ZINC000886364057 646988724 /nfs/dbraw/zinc/98/87/24/646988724.db2.gz NKUOMTHMJCDWAS-LLVKDONJSA-N 0 1 292.310 2.588 20 30 CFEDMN C#CCOc1ccccc1CN[C@@H](c1cnn(C)c1)C(C)C ZINC000886547072 647042375 /nfs/dbraw/zinc/04/23/75/647042375.db2.gz FINWKNNZJPAPOH-GOSISDBHSA-N 0 1 297.402 2.919 20 30 CFEDMN C#CCC1(NC(=O)c2ccc(CN(C)C)nc2)CCCCC1 ZINC000886656079 647092018 /nfs/dbraw/zinc/09/20/18/647092018.db2.gz QMNVVRPRAFXZHV-UHFFFAOYSA-N 0 1 299.418 2.599 20 30 CFEDMN C=CCC1(O)CCN([C@@H](C(=O)OC(C)(C)C)C2CC2)CC1 ZINC000886780513 647134036 /nfs/dbraw/zinc/13/40/36/647134036.db2.gz QAHANLUOKIDGDR-CQSZACIVSA-N 0 1 295.423 2.510 20 30 CFEDMN C#CCC1(NCc2nc(C)c3ccccc3n2)CCOCC1 ZINC000887123564 647218811 /nfs/dbraw/zinc/21/88/11/647218811.db2.gz UWPDLTMVFYNLCF-UHFFFAOYSA-N 0 1 295.386 2.600 20 30 CFEDMN CSCc1n[nH]c(CN=Cc2cc(Cl)ccc2O)n1 ZINC000887272619 647258621 /nfs/dbraw/zinc/25/86/21/647258621.db2.gz RBJRDJNTUFKTJG-RZNTYIFUSA-N 0 1 296.783 2.646 20 30 CFEDMN CSCc1nnc(CN=Cc2cc(Cl)ccc2O)[nH]1 ZINC000887272619 647258625 /nfs/dbraw/zinc/25/86/25/647258625.db2.gz RBJRDJNTUFKTJG-RZNTYIFUSA-N 0 1 296.783 2.646 20 30 CFEDMN C#C[C@@H](NCc1cc([N+](=O)[O-])ccc1Cl)C(C)C ZINC000302467574 647408004 /nfs/dbraw/zinc/40/80/04/647408004.db2.gz ZBZBXIMMZPSCLE-CYBMUJFWSA-N 0 1 266.728 2.996 20 30 CFEDMN CCCCCCCCCC(=O)NCc1n[nH]c(C)n1 ZINC000889709378 647657915 /nfs/dbraw/zinc/65/79/15/647657915.db2.gz VUNGSSRLXFIMGR-UHFFFAOYSA-N 0 1 266.389 2.870 20 30 CFEDMN C=C(Cl)CN1CCC2(C[C@@H]2NC(=O)c2ccco2)CC1 ZINC001016474166 647820461 /nfs/dbraw/zinc/82/04/61/647820461.db2.gz IMDRGZQDTACKOT-ZDUSSCGKSA-N 0 1 294.782 2.616 20 30 CFEDMN C[C@H](NCc1cncc(C#N)c1)c1ccc2c(c1)OCO2 ZINC000930190207 647834181 /nfs/dbraw/zinc/83/41/81/647834181.db2.gz ROBWURVPBQLYDF-NSHDSACASA-N 0 1 281.315 2.533 20 30 CFEDMN C#C[C@H](N[C@H](C)c1cc2ccccc2[nH]1)[C@@H]1CCCO1 ZINC000926211457 648435789 /nfs/dbraw/zinc/43/57/89/648435789.db2.gz UKWHPWVVWAJSCA-IFIJOSMWSA-N 0 1 268.360 2.999 20 30 CFEDMN COC1(OC)CC[C@@H]1NCc1ccc(SC)c(C#N)c1 ZINC000926868044 648639473 /nfs/dbraw/zinc/63/94/73/648639473.db2.gz GRNUDZZTOBTXHO-AWEZNQCLSA-N 0 1 292.404 2.521 20 30 CFEDMN Cc1ccc(CN[C@H](C)c2ccnnc2)cc1C#N ZINC000926960123 648671170 /nfs/dbraw/zinc/67/11/70/648671170.db2.gz DQYCGLOEOXBJBZ-GFCCVEGCSA-N 0 1 252.321 2.508 20 30 CFEDMN C[C@H](NC1([C@H]2CCCCO2)CC1)c1cc(C#N)ccn1 ZINC000927159373 648731948 /nfs/dbraw/zinc/73/19/48/648731948.db2.gz NPDITRYIIZYODA-SWLSCSKDSA-N 0 1 271.364 2.706 20 30 CFEDMN CCN(CC)[C@H](C(=O)N1CCC[C@@H](C#N)C1)c1ccccc1 ZINC000928224978 648878222 /nfs/dbraw/zinc/87/82/22/648878222.db2.gz VEABJHOWZWKEGB-RDJZCZTQSA-N 0 1 299.418 2.832 20 30 CFEDMN C#CCN1CCC(NC(=O)/C(F)=C/C2CCCCC2)CC1 ZINC000928653577 648938705 /nfs/dbraw/zinc/93/87/05/648938705.db2.gz RBSRKFJAAUBRDY-SSZFMOIBSA-N 0 1 292.398 2.634 20 30 CFEDMN C#CCN1CCC(NC(=O)C(C)(C)CCCCC)CC1 ZINC000928656129 648938994 /nfs/dbraw/zinc/93/89/94/648938994.db2.gz MEBTVIOWJFRDPG-UHFFFAOYSA-N 0 1 278.440 2.807 20 30 CFEDMN C#CCN1CCC(NC(=O)c2cc3ccccc3s2)CC1 ZINC000928658771 648939494 /nfs/dbraw/zinc/93/94/94/648939494.db2.gz QOAGSZQQVJAKKL-UHFFFAOYSA-N 0 1 298.411 2.729 20 30 CFEDMN C[C@H]1C[N@@H+](CCCCC2(C#N)CCC2)[C@@H](C)CO1 ZINC000929183051 648996551 /nfs/dbraw/zinc/99/65/51/648996551.db2.gz RTLSMVNJPJDUBI-KBPBESRZSA-N 0 1 250.386 2.960 20 30 CFEDMN C[C@H]1CN(CCCCC2(C#N)CCC2)[C@@H](C)CO1 ZINC000929183051 648996553 /nfs/dbraw/zinc/99/65/53/648996553.db2.gz RTLSMVNJPJDUBI-KBPBESRZSA-N 0 1 250.386 2.960 20 30 CFEDMN C[C@@H]1CO[C@@H](C)C[N@H+]1CCCCC1(C#N)CCC1 ZINC000929183052 648996631 /nfs/dbraw/zinc/99/66/31/648996631.db2.gz RTLSMVNJPJDUBI-KGLIPLIRSA-N 0 1 250.386 2.960 20 30 CFEDMN C[C@@H]1CO[C@@H](C)CN1CCCCC1(C#N)CCC1 ZINC000929183052 648996635 /nfs/dbraw/zinc/99/66/35/648996635.db2.gz RTLSMVNJPJDUBI-KGLIPLIRSA-N 0 1 250.386 2.960 20 30 CFEDMN C=CCN(CCOC1CC1)Cc1cccc(C#N)c1 ZINC000929363808 649039132 /nfs/dbraw/zinc/03/91/32/649039132.db2.gz KNTDTTZBALIMIB-UHFFFAOYSA-N 0 1 256.349 2.725 20 30 CFEDMN CCN(Cc1cnn(C)c1)Cc1c(C)cc(C#N)cc1C ZINC000929463885 649054482 /nfs/dbraw/zinc/05/44/82/649054482.db2.gz HCWCLBXMVNUTEH-UHFFFAOYSA-N 0 1 282.391 2.931 20 30 CFEDMN C=C1CCN(C[C@@H](O)COc2ccc3cc[nH]c3c2)CC1 ZINC000929604822 649077181 /nfs/dbraw/zinc/07/71/81/649077181.db2.gz SIMPAMRWRAMAEW-OAHLLOKOSA-N 0 1 286.375 2.560 20 30 CFEDMN CC[C@H]1COCCN1CCCCC1(C#N)CCC1 ZINC000929660376 649089495 /nfs/dbraw/zinc/08/94/95/649089495.db2.gz TXUZGSYHCVHBMW-AWEZNQCLSA-N 0 1 250.386 2.961 20 30 CFEDMN C#Cc1ccc(NC(=O)CCN(CCC#N)CC(C)C)cc1 ZINC000929688274 649097160 /nfs/dbraw/zinc/09/71/60/649097160.db2.gz NBLMMVYMRUQIFG-UHFFFAOYSA-N 0 1 297.402 2.868 20 30 CFEDMN COC(=O)[C@]1(C)CCN(Cc2cc(Cl)cc(C#N)c2)C1 ZINC000929833116 649134754 /nfs/dbraw/zinc/13/47/54/649134754.db2.gz VZMHOLNQJUDBOB-OAHLLOKOSA-N 0 1 292.766 2.597 20 30 CFEDMN CC[C@@H](O)CN(Cc1ccccc1)Cc1cncc(C#N)c1 ZINC000930057617 649175394 /nfs/dbraw/zinc/17/53/94/649175394.db2.gz VECWUKXAVGMIAH-GOSISDBHSA-N 0 1 295.386 2.726 20 30 CFEDMN COC(=O)[C@@H]1CCCC[C@@H]1CN(C[C@H](C)C#N)C1CC1 ZINC000930085517 649180787 /nfs/dbraw/zinc/18/07/87/649180787.db2.gz GAOBOLAXKGFOEW-UMVBOHGHSA-N 0 1 278.396 2.590 20 30 CFEDMN N#Cc1cncc(CN2CCC(c3ccccn3)CC2)c1 ZINC000930083641 649180833 /nfs/dbraw/zinc/18/08/33/649180833.db2.gz NRILUMJUMKHMAB-UHFFFAOYSA-N 0 1 278.359 2.728 20 30 CFEDMN Cc1cc(C#N)cc(C)c1CN1CCOC[C@@H]1C1CC1 ZINC000930130881 649191226 /nfs/dbraw/zinc/19/12/26/649191226.db2.gz YPNHZWHSLYPQOO-QGZVFWFLSA-N 0 1 270.376 2.786 20 30 CFEDMN C=CC[N@@H+](C[C@@H](C)C(=O)c1ccc([O-])cc1)C1CC1 ZINC000930175552 649199082 /nfs/dbraw/zinc/19/90/82/649199082.db2.gz MOXSDSDIZQXYBA-GFCCVEGCSA-N 0 1 259.349 2.861 20 30 CFEDMN C=CC[N@H+](C[C@@H](C)C(=O)c1ccc([O-])cc1)C1CC1 ZINC000930175552 649199083 /nfs/dbraw/zinc/19/90/83/649199083.db2.gz MOXSDSDIZQXYBA-GFCCVEGCSA-N 0 1 259.349 2.861 20 30 CFEDMN C=C[C@@H]1CCCC[N@@H+]1C[C@](O)(CC)C(F)(F)F ZINC000930262127 649218009 /nfs/dbraw/zinc/21/80/09/649218009.db2.gz DGAXFRQCOCFOQL-GHMZBOCLSA-N 0 1 251.292 2.730 20 30 CFEDMN CN(CCOc1ccccc1C(C)(C)C)C[C@H](O)CC#N ZINC000930299862 649225165 /nfs/dbraw/zinc/22/51/65/649225165.db2.gz KJZUVCCAIFRTKM-CQSZACIVSA-N 0 1 290.407 2.569 20 30 CFEDMN C=C(C)CN(C/C=C(/C)COC)Cc1ccc(CO)o1 ZINC000930456519 649252838 /nfs/dbraw/zinc/25/28/38/649252838.db2.gz VDVWHXSDFRPNRW-AUWJEWJLSA-N 0 1 279.380 2.743 20 30 CFEDMN CC(F)(F)CCCN1CCN(c2cnccc2C#N)CC1 ZINC000930551963 649271788 /nfs/dbraw/zinc/27/17/88/649271788.db2.gz MPLZTXBTTRYYPP-UHFFFAOYSA-N 0 1 294.349 2.511 20 30 CFEDMN N#CC[C@@H](O)CN1CCc2ccc(-c3ccccc3)cc2C1 ZINC000930598724 649283891 /nfs/dbraw/zinc/28/38/91/649283891.db2.gz QXSYCPUADXXOJN-LJQANCHMSA-N 0 1 292.382 2.986 20 30 CFEDMN Cc1cc(C#N)cc(C)c1CN1C[C@@H](C)N(CC#N)[C@@H](C)C1 ZINC000930829374 649333259 /nfs/dbraw/zinc/33/32/59/649333259.db2.gz UBACBBZXMWCMGA-IYBDPMFKSA-N 0 1 296.418 2.593 20 30 CFEDMN COC[C@@]1(C)CN(CCCCC2(C#N)CCC2)CCO1 ZINC000931338553 649412146 /nfs/dbraw/zinc/41/21/46/649412146.db2.gz RKMISFVURSGCCT-OAHLLOKOSA-N 0 1 280.412 2.588 20 30 CFEDMN CC(C)(C)[C@@H]1CSCC[N@H+]1Cc1cncc(C#N)c1 ZINC000931593079 649459577 /nfs/dbraw/zinc/45/95/77/649459577.db2.gz UOQLCUVRZWEOBN-AWEZNQCLSA-N 0 1 275.421 2.917 20 30 CFEDMN CC(C)(C)[C@@H]1CSCCN1Cc1cncc(C#N)c1 ZINC000931593079 649459580 /nfs/dbraw/zinc/45/95/80/649459580.db2.gz UOQLCUVRZWEOBN-AWEZNQCLSA-N 0 1 275.421 2.917 20 30 CFEDMN CC(C)(C#N)CCN1CCc2nc[nH]c2C12CCC2 ZINC000931680407 649470942 /nfs/dbraw/zinc/47/09/42/649470942.db2.gz WDYPNFWTOOMLJH-UHFFFAOYSA-N 0 1 258.369 2.587 20 30 CFEDMN Cn1nccc1[C@H]1CCCN1CCOc1ccc(C#N)cc1 ZINC000932273810 649572772 /nfs/dbraw/zinc/57/27/72/649572772.db2.gz WCAUBJCQAGVTNA-QGZVFWFLSA-N 0 1 296.374 2.508 20 30 CFEDMN N#C[C@H](NC(=O)c1cccc2nc(C(F)F)[nH]c21)C1CC1 ZINC000932378128 649587572 /nfs/dbraw/zinc/58/75/72/649587572.db2.gz KCISVFVQQKMMPC-JTQLQIEISA-N 0 1 290.273 2.532 20 30 CFEDMN C#CCN(C(C)C)[C@@H]1CCCN(Cc2ccccc2)C1=O ZINC000932388410 649591757 /nfs/dbraw/zinc/59/17/57/649591757.db2.gz JHSWIKXUUSDOIY-QGZVFWFLSA-N 0 1 284.403 2.521 20 30 CFEDMN C#CCCCCCN1CCn2c(cnc2C(F)(F)F)C1 ZINC000932579627 649622859 /nfs/dbraw/zinc/62/28/59/649622859.db2.gz XCPRYPVNOCXAHG-UHFFFAOYSA-N 0 1 285.313 2.911 20 30 CFEDMN C#CCCCCCCN1CCC[C@@H]2C[C@@]21C(=O)OC ZINC000933166997 649676698 /nfs/dbraw/zinc/67/66/98/649676698.db2.gz NFMSOOKOADPKFC-ZBFHGGJFSA-N 0 1 263.381 2.598 20 30 CFEDMN C=CCCCCCN1CCOC[C@@H]1[C@@H]1CC[C@H](COC)O1 ZINC000933202093 649679388 /nfs/dbraw/zinc/67/93/88/649679388.db2.gz RXLBSVNQDJHQSW-ZACQAIPSSA-N 0 1 297.439 2.628 20 30 CFEDMN C#CCC1(NCc2nnc(OCC)s2)CCCCC1 ZINC000933266862 649683796 /nfs/dbraw/zinc/68/37/96/649683796.db2.gz BGESPVKUPFWGBR-UHFFFAOYSA-N 0 1 279.409 2.753 20 30 CFEDMN C#CCC1(NCc2occc2C(=O)OC)CCCCC1 ZINC000933266219 649683911 /nfs/dbraw/zinc/68/39/11/649683911.db2.gz RPLSWUXARJKCIT-UHFFFAOYSA-N 0 1 275.348 2.882 20 30 CFEDMN C#CCC1(NCc2nnc(C3CC3)o2)CCCCC1 ZINC000933269159 649684246 /nfs/dbraw/zinc/68/42/46/649684246.db2.gz JAHUTXSXPGFRKZ-UHFFFAOYSA-N 0 1 259.353 2.763 20 30 CFEDMN C#CCC1(NCc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])CCC1 ZINC000933296711 649685581 /nfs/dbraw/zinc/68/55/81/649685581.db2.gz LNMVIANRYUNVPW-UHFFFAOYSA-N 0 1 289.291 2.539 20 30 CFEDMN C=CCCCCCNC1(c2ncccn2)CCOCC1 ZINC000933341069 649687637 /nfs/dbraw/zinc/68/76/37/649687637.db2.gz CPESLJSMZWZCTB-UHFFFAOYSA-N 0 1 275.396 2.818 20 30 CFEDMN COC(=O)[C@@H](C1CC1)N1CCC(c2ccc(C#N)cc2)CC1 ZINC000933611530 649706089 /nfs/dbraw/zinc/70/60/89/649706089.db2.gz MAQBEPNANZTSTQ-QGZVFWFLSA-N 0 1 298.386 2.689 20 30 CFEDMN N#Cc1ccc([C@H]2CN(C[C@@H]3C[C@H]4C[C@H]4C3)CCO2)cc1 ZINC000933631755 649709114 /nfs/dbraw/zinc/70/91/14/649709114.db2.gz LFVOISCPHPLURS-BZZMCLGOSA-N 0 1 282.387 2.978 20 30 CFEDMN CN(Cc1cc(C#N)cs1)C[C@H](O)c1ccccc1F ZINC000933776478 649721068 /nfs/dbraw/zinc/72/10/68/649721068.db2.gz ZVMIIXVDEKETOX-HNNXBMFYSA-N 0 1 290.363 2.924 20 30 CFEDMN CO[C@H]1CC[C@H]1N(C)CC#Cc1ccc(Cl)cc1 ZINC000934103490 649749091 /nfs/dbraw/zinc/74/90/91/649749091.db2.gz BHRNOZBBQKNLNZ-CABCVRRESA-N 0 1 263.768 2.801 20 30 CFEDMN C[C@@H](Cc1cccnc1)NCc1c(C#N)cccc1[N+](=O)[O-] ZINC000934230622 649764002 /nfs/dbraw/zinc/76/40/02/649764002.db2.gz USWZSGQMSLUHOW-LBPRGKRZSA-N 0 1 296.330 2.582 20 30 CFEDMN N#Cc1ccc(CN2CC[C@H](Cc3nccs3)C2)o1 ZINC000934328071 649774643 /nfs/dbraw/zinc/77/46/43/649774643.db2.gz GXKMLYBJZIIMSB-LLVKDONJSA-N 0 1 273.361 2.672 20 30 CFEDMN C=CC[C@H]1CCN1CC(=O)N(C(C)C)C1CCCC1 ZINC000934466242 649789316 /nfs/dbraw/zinc/78/93/16/649789316.db2.gz RCDPJSZQMUVXSE-AWEZNQCLSA-N 0 1 264.413 2.816 20 30 CFEDMN C=CC[C@@H]1CCN1CC(=O)N(C)[C@H](C)CC(C)C ZINC000934465307 649789336 /nfs/dbraw/zinc/78/93/36/649789336.db2.gz KOYQYRJSFLCRNL-ZIAGYGMSSA-N 0 1 252.402 2.530 20 30 CFEDMN C=CC[C@H]1CCN1[C@H](C)C(=O)NCCc1ccccc1C ZINC000934471165 649790266 /nfs/dbraw/zinc/79/02/66/649790266.db2.gz HRQOXFFDDMCWRU-WBVHZDCISA-N 0 1 286.419 2.693 20 30 CFEDMN C=CC[C@H]1CCN1[C@@H](C)C(=O)N1CCc2sccc2C1 ZINC000934469940 649790592 /nfs/dbraw/zinc/79/05/92/649790592.db2.gz KLHZJLVWBAGYCB-JSGCOSHPSA-N 0 1 290.432 2.672 20 30 CFEDMN C=CC[C@H]1CCN1[C@@H](C)C(=O)NCCc1ccc(F)cc1 ZINC000934472020 649791067 /nfs/dbraw/zinc/79/10/67/649791067.db2.gz LBJBRPIZDLZRIX-BBRMVZONSA-N 0 1 290.382 2.523 20 30 CFEDMN C[C@@H](NCc1cncc(C#N)c1)c1cnn(CC2CCC2)c1 ZINC000934560836 649800444 /nfs/dbraw/zinc/80/04/44/649800444.db2.gz MPYHQXKOWYJAKG-CYBMUJFWSA-N 0 1 295.390 2.801 20 30 CFEDMN C=CCCCN(CC)[C@@H](C(N)=O)c1ccc(F)cc1 ZINC000934646854 649811519 /nfs/dbraw/zinc/81/15/19/649811519.db2.gz ORESAJAQTGOGNX-CQSZACIVSA-N 0 1 264.344 2.640 20 30 CFEDMN C[C@@H]1CN(CCCCC#N)C[C@H](C)N1CC(F)(F)F ZINC000934797193 649832383 /nfs/dbraw/zinc/83/23/83/649832383.db2.gz PJVBHUMEGDUYQM-TXEJJXNPSA-N 0 1 277.334 2.637 20 30 CFEDMN N#CCC[C@H](C#N)C[N@H+]1CCCC[C@H]([C@H]2CCOC2)C1 ZINC000934842660 649841590 /nfs/dbraw/zinc/84/15/90/649841590.db2.gz NMYCWUXMTYXREQ-PMPSAXMXSA-N 0 1 275.396 2.569 20 30 CFEDMN C#C[C@H](NCc1ccc([N+](=O)[O-])cc1Cl)C(C)C ZINC000305923013 651087384 /nfs/dbraw/zinc/08/73/84/651087384.db2.gz MPSNPDAWLZOJJQ-ZDUSSCGKSA-N 0 1 266.728 2.996 20 30 CFEDMN CC#CCN1CCC[C@@H](NC(=O)CC2CCCCC2)C1 ZINC001006669963 651127755 /nfs/dbraw/zinc/12/77/55/651127755.db2.gz WOSWZXNVLQFCCF-MRXNPFEDSA-N 0 1 276.424 2.561 20 30 CFEDMN C=C(C)CN1CCC[C@@H](NC(=O)C23CCC(CC2)C3)C1 ZINC001007635694 651137348 /nfs/dbraw/zinc/13/73/48/651137348.db2.gz KZKRMXATTAQUDI-ISXOHVOVSA-N 0 1 276.424 2.723 20 30 CFEDMN C=CCN1CCC[C@@H](NC(=O)c2ccc(Cl)cc2F)C1 ZINC001007867319 651139738 /nfs/dbraw/zinc/13/97/38/651139738.db2.gz UAQRQXYOQIYOHV-GFCCVEGCSA-N 0 1 296.773 2.859 20 30 CFEDMN C=C(C)CN1CCC[C@H](NC(=O)[C@@H]2CC[C@@H]3C[C@@H]3CC2)C1 ZINC001008032699 651141316 /nfs/dbraw/zinc/14/13/16/651141316.db2.gz PELWRBSKPRMMME-NXOAAHMSSA-N 0 1 290.451 2.969 20 30 CFEDMN C=C(C)CN1CCC[C@@H](NC(=O)[C@@H]2C[C@@H]3CCCC[C@H]23)C1 ZINC001008035988 651141463 /nfs/dbraw/zinc/14/14/63/651141463.db2.gz NABRDDRDJDVCTM-VVLHAWIVSA-N 0 1 290.451 2.969 20 30 CFEDMN C=CCN1CCC[C@@H](NC(=O)c2ccc(C)nc2C2CC2)C1 ZINC001008097603 651141770 /nfs/dbraw/zinc/14/17/70/651141770.db2.gz TWRYAPSRMSUYBY-OAHLLOKOSA-N 0 1 299.418 2.648 20 30 CFEDMN C=CCN1CCC[C@H](NC(=O)[C@H]2CCCC2(C)C)C1 ZINC001008225071 651144069 /nfs/dbraw/zinc/14/40/69/651144069.db2.gz MHGTXIKPZUPPLC-UONOGXRCSA-N 0 1 264.413 2.579 20 30 CFEDMN C=CCN1CCC[C@H](NC(=O)c2cccc(Cl)c2F)C1 ZINC001008368497 651147003 /nfs/dbraw/zinc/14/70/03/651147003.db2.gz AZMXBODJNYGJLJ-NSHDSACASA-N 0 1 296.773 2.859 20 30 CFEDMN C=C(C)CN1CCC[C@@H](NC(=O)c2occc2CC)C1 ZINC001008417325 651147514 /nfs/dbraw/zinc/14/75/14/651147514.db2.gz KEUQKGJAYQOIDP-CQSZACIVSA-N 0 1 276.380 2.612 20 30 CFEDMN C=CCN1CCC[C@H](NC(=O)[C@H]2CCC(C)(C)C2)C1 ZINC001008447214 651148427 /nfs/dbraw/zinc/14/84/27/651148427.db2.gz HZSJEJZEXHSYAK-KBPBESRZSA-N 0 1 264.413 2.579 20 30 CFEDMN C=CCN1CCC[C@@H](NC(=O)C2CCC(F)(F)CC2)C1 ZINC001008655965 651151290 /nfs/dbraw/zinc/15/12/90/651151290.db2.gz BZXNDBUKSSGKGZ-CYBMUJFWSA-N 0 1 286.366 2.579 20 30 CFEDMN C=CCN1CCC[C@@H](NC(=O)c2c(C)cccc2C)C1 ZINC001008619030 651151374 /nfs/dbraw/zinc/15/13/74/651151374.db2.gz ZYRFTGPMQKVZKF-OAHLLOKOSA-N 0 1 272.392 2.684 20 30 CFEDMN C=CCN1CCC[C@H](NC(=O)Cc2ccc(CC)cc2)C1 ZINC001008696167 651152879 /nfs/dbraw/zinc/15/28/79/651152879.db2.gz NKIDVVVBPNLIJR-KRWDZBQOSA-N 0 1 286.419 2.558 20 30 CFEDMN C#CCCN1CCC[C@H](NC(=O)c2cc(Cl)cs2)C1 ZINC001008759588 651152937 /nfs/dbraw/zinc/15/29/37/651152937.db2.gz GBKHQCDYHHNWNE-LBPRGKRZSA-N 0 1 296.823 2.619 20 30 CFEDMN C=CCN1CCC[C@@H](NC(=O)[C@@]2(C)C[C@@H]2c2ccccc2)C1 ZINC001008819436 651153559 /nfs/dbraw/zinc/15/35/59/651153559.db2.gz JYXMRXUIWDEGIA-LMMKCTJWSA-N 0 1 298.430 2.947 20 30 CFEDMN C=CCN1CCC[C@H](NC(=O)Cc2ccc(Cl)s2)C1 ZINC001008803110 651153637 /nfs/dbraw/zinc/15/36/37/651153637.db2.gz ZHWOMGMSLNECBT-NSHDSACASA-N 0 1 298.839 2.711 20 30 CFEDMN C=CCN1CCC[C@@H](NC(=O)[C@H]2C[C@@H]2c2ccccc2)C1 ZINC001008789239 651153959 /nfs/dbraw/zinc/15/39/59/651153959.db2.gz JURSFVHDKDLJHN-ZACQAIPSSA-N 0 1 284.403 2.557 20 30 CFEDMN C=CCN1CCC[C@H](NC(=O)[C@@H](C)c2cc(C)oc2C)C1 ZINC001008891690 651154280 /nfs/dbraw/zinc/15/42/80/651154280.db2.gz HOVQEXGBXYDIPM-ZFWWWQNUSA-N 0 1 290.407 2.767 20 30 CFEDMN C=CCN1CCC[C@@H](NC(=O)c2cccc3ccncc32)C1 ZINC001009046415 651155221 /nfs/dbraw/zinc/15/52/21/651155221.db2.gz QGVXYRPCLQTZQB-OAHLLOKOSA-N 0 1 295.386 2.615 20 30 CFEDMN C=CCN1CCC[C@H](NC(=O)c2cc3c(C)cccn3c2)C1 ZINC001009187166 651157103 /nfs/dbraw/zinc/15/71/03/651157103.db2.gz KBGLTPQOWPTALG-INIZCTEOSA-N 0 1 297.402 2.628 20 30 CFEDMN C=CCN1CCC[C@H](NC(=O)c2cc(C)cc(C)c2)C1 ZINC001009335176 651159448 /nfs/dbraw/zinc/15/94/48/651159448.db2.gz LZWVYMKZZDIYPH-INIZCTEOSA-N 0 1 272.392 2.684 20 30 CFEDMN C=CCN1CCC[C@@H](NC(=O)c2ccc(F)cc2Cl)C1 ZINC001009403705 651160365 /nfs/dbraw/zinc/16/03/65/651160365.db2.gz UKJAQHFXFBCGBR-GFCCVEGCSA-N 0 1 296.773 2.859 20 30 CFEDMN C#CCCN1CCC[C@H](NC(=O)c2cc(C)c(C)s2)C1 ZINC001009450076 651161127 /nfs/dbraw/zinc/16/11/27/651161127.db2.gz WCWOTUMOJMTQTF-AWEZNQCLSA-N 0 1 290.432 2.582 20 30 CFEDMN C=CCN1CCC[C@@H](NC(=O)c2cccc3cnccc32)C1 ZINC001009528319 651161971 /nfs/dbraw/zinc/16/19/71/651161971.db2.gz KDWSONPTNRMDJO-OAHLLOKOSA-N 0 1 295.386 2.615 20 30 CFEDMN C=CCN1CCC[C@@H](NC(=O)c2ccc(CF)cc2)C1 ZINC001009667609 651163688 /nfs/dbraw/zinc/16/36/88/651163688.db2.gz DJNJBYHTOOGACR-OAHLLOKOSA-N 0 1 276.355 2.536 20 30 CFEDMN C=C(C)CN1CC[C@H](NC(=O)C(F)=C2CCCC2)C1 ZINC001010547867 651177698 /nfs/dbraw/zinc/17/76/98/651177698.db2.gz SBKCOTYJKSMISU-ZDUSSCGKSA-N 0 1 266.360 2.551 20 30 CFEDMN C=CCN1CC[C@@H](NC(=O)Cc2coc3ccc(C)cc23)C1 ZINC001014600128 651189853 /nfs/dbraw/zinc/18/98/53/651189853.db2.gz GDXTUMQSXITZFU-OAHLLOKOSA-N 0 1 298.386 2.660 20 30 CFEDMN C=C(C)CN1CC[C@@H](NC(=O)c2oc(C(F)F)cc2C)C1 ZINC001014813161 651192101 /nfs/dbraw/zinc/19/21/01/651192101.db2.gz VTHGWGMFYRRPTM-LLVKDONJSA-N 0 1 298.333 2.906 20 30 CFEDMN C=CCN1CC[C@@H](NC(=O)Cc2cccc(C(C)C)c2)C1 ZINC001015099536 651195037 /nfs/dbraw/zinc/19/50/37/651195037.db2.gz HQMCNUYNBRTLQI-QGZVFWFLSA-N 0 1 286.419 2.729 20 30 CFEDMN C=C(C)CN1CC[C@@H](NC(=O)c2cccc(C(C)C)n2)C1 ZINC001015126660 651195789 /nfs/dbraw/zinc/19/57/89/651195789.db2.gz LQDQSHZWNSYKJH-CQSZACIVSA-N 0 1 287.407 2.585 20 30 CFEDMN C=C(C)CN1CC[C@H](NC(=O)c2c(F)cc(C)cc2F)C1 ZINC001015207104 651197496 /nfs/dbraw/zinc/19/74/96/651197496.db2.gz HUVZKRMOIVTTGI-LBPRGKRZSA-N 0 1 294.345 2.653 20 30 CFEDMN C=CCN1CC[C@@H](NC(=O)c2cc3ccccc3cc2F)C1 ZINC001015232334 651198294 /nfs/dbraw/zinc/19/82/94/651198294.db2.gz GBXLWSAFKPWHAS-OAHLLOKOSA-N 0 1 298.361 2.969 20 30 CFEDMN C=CCN1CC[C@@H](NC(=O)c2ccc(C)nc2C(C)C)C1 ZINC001015425327 651200507 /nfs/dbraw/zinc/20/05/07/651200507.db2.gz SWCOTYBVKXJZNH-CQSZACIVSA-N 0 1 287.407 2.504 20 30 CFEDMN C=CCN1CC[C@@H](NC(=O)[C@H](C)c2ccc(Cl)cc2)C1 ZINC001015649307 651207414 /nfs/dbraw/zinc/20/74/14/651207414.db2.gz RODZWDKHFYFBNH-IUODEOHRSA-N 0 1 292.810 2.820 20 30 CFEDMN C=CCN1CC[C@H](NC(=O)c2cccn2C2CCCC2)C1 ZINC001015905468 651217371 /nfs/dbraw/zinc/21/73/71/651217371.db2.gz QTRWXNIAAOJXIQ-AWEZNQCLSA-N 0 1 287.407 2.593 20 30 CFEDMN C=CCN1CC[C@H](NC(=O)c2ccc3sccc3c2)C1 ZINC001015929489 651217860 /nfs/dbraw/zinc/21/78/60/651217860.db2.gz VXZRTYHJFZWEJJ-AWEZNQCLSA-N 0 1 286.400 2.891 20 30 CFEDMN CC#CCN1CC[C@@H](NC(=O)c2cccc3ccsc32)C1 ZINC001015944830 651218858 /nfs/dbraw/zinc/21/88/58/651218858.db2.gz PJZPOIABXAZOHA-CQSZACIVSA-N 0 1 298.411 2.729 20 30 CFEDMN C=CCN1CC[C@H](NC(=O)[C@@H](C)c2cc3ccccc3o2)C1 ZINC001015966910 651218926 /nfs/dbraw/zinc/21/89/26/651218926.db2.gz ROBHQRVGVDKJDF-ZFWWWQNUSA-N 0 1 298.386 2.913 20 30 CFEDMN C=CCN1CC[C@H](NC(=O)C[C@@H]2CCCc3ccccc32)C1 ZINC001016059921 651223017 /nfs/dbraw/zinc/22/30/17/651223017.db2.gz WYPCHNZKEDRAFJ-IRXDYDNUSA-N 0 1 298.430 2.873 20 30 CFEDMN C=CCN1CC[C@H](NC(=O)C23CC4CC(CC(C4)C2)C3)C1 ZINC001016082107 651223925 /nfs/dbraw/zinc/22/39/25/651223925.db2.gz UGVAOCHHZXUZMG-KUNBBXKYSA-N 0 1 288.435 2.579 20 30 CFEDMN C=CCN1CC[C@H](NC(=O)c2ccc(Cl)c(Cl)c2)C1 ZINC001016079358 651224352 /nfs/dbraw/zinc/22/43/52/651224352.db2.gz DXDHAOUYBJEFHZ-NSHDSACASA-N 0 1 299.201 2.984 20 30 CFEDMN C=CCN1CC[C@H](NC(=O)C2CCC(C3CC3)CC2)C1 ZINC001016141961 651225484 /nfs/dbraw/zinc/22/54/84/651225484.db2.gz PYKYQEQHPUREAK-GPANFISMSA-N 0 1 276.424 2.579 20 30 CFEDMN C=C(C)CN1CC[C@@H](NC(=O)C23CCC(CC2)CC3)C1 ZINC001016303739 651229101 /nfs/dbraw/zinc/22/91/01/651229101.db2.gz BVNGDEMUNJVWSE-ISXOHVOVSA-N 0 1 276.424 2.723 20 30 CFEDMN C=CCN1CC[C@@H](NC(=O)C2(C)CCC(C)CC2)C1 ZINC001016375730 651232266 /nfs/dbraw/zinc/23/22/66/651232266.db2.gz YHLHTVVHKNMCBK-NPCAHTBFSA-N 0 1 264.413 2.579 20 30 CFEDMN C=CCN1CC[C@H](NC(=O)CC2CCC(C)(C)CC2)C1 ZINC001016435898 651233516 /nfs/dbraw/zinc/23/35/16/651233516.db2.gz HYHZWYAPPHOVRD-HNNXBMFYSA-N 0 1 278.440 2.969 20 30 CFEDMN C=C(Cl)CN1CCC2(C[C@@H]2NC(=O)C2CCCC2)CC1 ZINC001016462239 651234746 /nfs/dbraw/zinc/23/47/46/651234746.db2.gz UFBNDUCFOJQJJW-AWEZNQCLSA-N 0 1 296.842 2.900 20 30 CFEDMN C=C(Cl)CN1CCC2(C[C@H]2NC(=O)C2(C)CCC2)CC1 ZINC001016777732 651240526 /nfs/dbraw/zinc/24/05/26/651240526.db2.gz VKUFSKTUSWXNSY-CYBMUJFWSA-N 0 1 296.842 2.900 20 30 CFEDMN C=C(C)CCN1C[C@H]2CC[C@@H](C1)N2C(=O)c1ccoc1 ZINC001017353422 651250279 /nfs/dbraw/zinc/25/02/79/651250279.db2.gz FILKOVNUDFMVAB-GASCZTMLSA-N 0 1 274.364 2.535 20 30 CFEDMN C=C(C)CN1C[C@H]2CC[C@@H](C1)N2C(=O)C1C=CC=CC=C1 ZINC001017590608 651254593 /nfs/dbraw/zinc/25/45/93/651254593.db2.gz LOJAZTYHPLMIRJ-CALCHBBNSA-N 0 1 284.403 2.536 20 30 CFEDMN N#CC(C(=O)CCC1CC1)C(=O)Nc1ccccc1 ZINC000115903769 651277368 /nfs/dbraw/zinc/27/73/68/651277368.db2.gz BVYBLKMGYVMVNB-ZDUSSCGKSA-N 0 1 256.305 2.524 20 30 CFEDMN C=C(Cl)CN[C@H]1CCN(C(=O)c2ccc(C)c(F)c2)C1 ZINC001019113899 651279421 /nfs/dbraw/zinc/27/94/21/651279421.db2.gz LNYYIRVSLBRPHJ-ZDUSSCGKSA-N 0 1 296.773 2.691 20 30 CFEDMN C=C(Cl)CN[C@H]1CCN(C(=O)c2ccc(Cl)cc2)C1 ZINC001019690053 651289211 /nfs/dbraw/zinc/28/92/11/651289211.db2.gz KSTXOVAXEALQLK-ZDUSSCGKSA-N 0 1 299.201 2.897 20 30 CFEDMN CC(C)CN1CCN(c2nc(Cl)c(F)cc2C#N)CC1 ZINC001164651826 719328829 /nfs/dbraw/zinc/32/88/29/719328829.db2.gz IRGXMZYAOREJRY-UHFFFAOYSA-N 0 1 296.777 2.524 20 30 CFEDMN C#CCCN1CC[C@@H]1CN(C)C(=O)c1cccc(C(C)C)c1 ZINC001085908191 782198610 /nfs/dbraw/zinc/19/86/10/782198610.db2.gz BEYDVDNECHWNHF-GOSISDBHSA-N 0 1 298.430 2.980 20 30 CFEDMN C=C(C)CN1CC[C@@H]1CN(C)C(=O)c1ccc2c(c1)CCC2 ZINC001085963266 782220022 /nfs/dbraw/zinc/22/00/22/782220022.db2.gz BZDCVOJNIXQVTK-GOSISDBHSA-N 0 1 298.430 2.898 20 30 CFEDMN C#CCCCN1CCc2c([nH]nc2C(F)(F)F)C1 ZINC001209268245 770027507 /nfs/dbraw/zinc/02/75/07/770027507.db2.gz WWOMQTURBKRFNN-NSHDSACASA-N 0 1 257.259 2.756 20 30 CFEDMN C=C(C)CN1CC[C@H]1CN(C)C(=O)CC(C)(C)C ZINC001230786198 777062851 /nfs/dbraw/zinc/06/28/51/777062851.db2.gz SCZOTJWRSFJEEW-ZDUSSCGKSA-N 0 1 252.402 2.531 20 30 CFEDMN C#CCN1CC[C@H](NC(=O)C2(C)CCC(C)CC2)[C@H]1CC ZINC001087844964 777718566 /nfs/dbraw/zinc/71/85/66/777718566.db2.gz YZJBGRDAYANDHR-BNQMIIOLSA-N 0 1 290.451 2.805 20 30 CFEDMN CCCCN(CC#N)Cc1n[nH]c2cc(F)ccc21 ZINC001233127403 777804046 /nfs/dbraw/zinc/80/40/46/777804046.db2.gz WWFGZMXUDLWUGL-UHFFFAOYSA-N 0 1 260.316 2.828 20 30 CFEDMN C=C(C)CN1CC[C@H](NC(=O)c2occc2Cl)[C@H]1C ZINC001088837803 778631000 /nfs/dbraw/zinc/63/10/00/778631000.db2.gz AQMXIVORKFCTQH-PWSUYJOCSA-N 0 1 282.771 2.702 20 30 CFEDMN CC#CCN1CC[C@@H](N(C)C(=O)C(C)(C)c2ccccc2)C1 ZINC001033647741 780744082 /nfs/dbraw/zinc/74/40/82/780744082.db2.gz JCBKXRPEXBDXMN-QGZVFWFLSA-N 0 1 298.430 2.520 20 30 CFEDMN C=CCN1CC[C@H](N(CC)C(=O)c2cccc3c2CCC3)C1 ZINC001034050468 780868139 /nfs/dbraw/zinc/86/81/39/780868139.db2.gz ABJNDYHDTXGNQG-INIZCTEOSA-N 0 1 298.430 2.898 20 30 CFEDMN CC/C(C)=C\C(=O)N[C@@H]1CCN(Cc2cccc(C#N)c2)C1 ZINC001266317360 769954520 /nfs/dbraw/zinc/95/45/20/769954520.db2.gz QMPJXWBPXZNUAT-CRPZLVSXSA-N 0 1 297.402 2.605 20 30 CFEDMN CC/C(C)=C\C(=O)N[C@H]1CCN(Cc2cccc(C#N)c2)C1 ZINC001266317361 769955096 /nfs/dbraw/zinc/95/50/96/769955096.db2.gz QMPJXWBPXZNUAT-DZXKJOIRSA-N 0 1 297.402 2.605 20 30 CFEDMN C[C@]1(F)CCN(CCc2ccc(C#N)cc2)C[C@@H]1F ZINC001208921082 769965964 /nfs/dbraw/zinc/96/59/64/769965964.db2.gz XODQLXRWOIYFQP-GJZGRUSLSA-N 0 1 264.319 2.873 20 30 CFEDMN C=CCN(CCN1CC2(C1)CCCC2)C(=O)OCC ZINC001209017983 769973283 /nfs/dbraw/zinc/97/32/83/769973283.db2.gz ZOKHKMROOOMQRM-UHFFFAOYSA-N 0 1 266.385 2.507 20 30 CFEDMN C=CCN1CC[C@H](NC(=O)C2(CC)CCCCC2)C1 ZINC001266361913 770024377 /nfs/dbraw/zinc/02/43/77/770024377.db2.gz UUXWWMDLBHWETF-AWEZNQCLSA-N 0 1 264.413 2.723 20 30 CFEDMN C=CCCCCCCN1CC(N2C[C@@H](C)O[C@H](C)C2)C1 ZINC001209438315 770089002 /nfs/dbraw/zinc/08/90/02/770089002.db2.gz JIVHBQLZPIEKAZ-HZPDHXFCSA-N 0 1 280.456 2.916 20 30 CFEDMN Cc1cc(N)ncc1Nc1onc(C(C)(C)C)c1C#N ZINC001209965575 770175210 /nfs/dbraw/zinc/17/52/10/770175210.db2.gz VXSIRFHWLXCLHI-UHFFFAOYSA-N 0 1 271.324 2.873 20 30 CFEDMN C=CC[C@@H](C=C)Oc1nc(Cl)nc2[nH]ncc21 ZINC000706072908 770198855 /nfs/dbraw/zinc/19/88/55/770198855.db2.gz IEVHBJXPANVYKO-SSDOTTSWSA-N 0 1 250.689 2.516 20 30 CFEDMN C#CCN1CCC[C@@H]1CNC(=O)C[C@@H](C)C1CCCCC1 ZINC001266485781 770201317 /nfs/dbraw/zinc/20/13/17/770201317.db2.gz JDZGRWBJAXMUJL-NVXWUHKLSA-N 0 1 290.451 2.807 20 30 CFEDMN C=C(Cl)CN1CC[C@H]([C@@H]2CCCCN2C(=O)C2CC2)C1 ZINC001039186088 770269336 /nfs/dbraw/zinc/26/93/36/770269336.db2.gz XNGRTCRASIRSBZ-GJZGRUSLSA-N 0 1 296.842 2.852 20 30 CFEDMN Cc1cc(C#N)ccc1Nc1cc(=O)[nH]c(Cl)n1 ZINC001210374521 770272898 /nfs/dbraw/zinc/27/28/98/770272898.db2.gz GRLRZORPIHFUAN-UHFFFAOYSA-N 0 1 260.684 2.759 20 30 CFEDMN C=CCC(C)(C)C(=O)NC[C@@H]1CCN(C/C=C\Cl)C1 ZINC001266537242 770294911 /nfs/dbraw/zinc/29/49/11/770294911.db2.gz HDNNRZVQYMATAU-UJZCVKTISA-N 0 1 284.831 2.779 20 30 CFEDMN Cc1ccc(Nc2nc(N(C)C)[nH]c(=O)c2N=O)c(C#N)c1 ZINC001210566293 770313958 /nfs/dbraw/zinc/31/39/58/770313958.db2.gz XHNAYZBMCNQZKR-UHFFFAOYSA-N 0 1 298.306 2.570 20 30 CFEDMN C#CC[N@@H+](CCC)CCNC(=O)C(C)(C)CC(C)(C)C ZINC001266579774 770372815 /nfs/dbraw/zinc/37/28/15/770372815.db2.gz YDTASZGPZKSQSP-UHFFFAOYSA-N 0 1 280.456 2.910 20 30 CFEDMN COc1nccc(Nc2cc(C#N)c(F)cc2O)c1OC ZINC001211093286 770433393 /nfs/dbraw/zinc/43/33/93/770433393.db2.gz VWZJJMMVHSPWGP-UHFFFAOYSA-N 0 1 289.266 2.559 20 30 CFEDMN CCC(CC)C(=O)N(C)CCNCc1ccccc1C#N ZINC001266644660 770479350 /nfs/dbraw/zinc/47/93/50/770479350.db2.gz NXRRLBLIJVAQAF-UHFFFAOYSA-N 0 1 287.407 2.542 20 30 CFEDMN C=C(C)C[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)[C@H](C)CC ZINC001039335684 770504462 /nfs/dbraw/zinc/50/44/62/770504462.db2.gz JKZLQPYCPYAOFD-KFWWJZLASA-N 0 1 264.413 2.674 20 30 CFEDMN C=C(C)CCC(=O)N(C)CCNCc1nc(C)c(C)s1 ZINC001266713902 770550394 /nfs/dbraw/zinc/55/03/94/770550394.db2.gz VMEUHJZLYJKNOC-UHFFFAOYSA-N 0 1 295.452 2.664 20 30 CFEDMN C=CCN1CC[C@H]2CC[C@@H](C1)N2C(=O)c1c(C)coc1C ZINC001039369934 770553134 /nfs/dbraw/zinc/55/31/34/770553134.db2.gz MVUCJJQWKZQZKG-CABCVRRESA-N 0 1 288.391 2.761 20 30 CFEDMN C=C(Cl)CNCCN(C)C(=O)[C@@H]1CCCC[C@H]1C ZINC001266819234 770643711 /nfs/dbraw/zinc/64/37/11/770643711.db2.gz CIAVSHWKIZQSSU-DGCLKSJQSA-N 0 1 272.820 2.613 20 30 CFEDMN C=CCCCC(=O)NC[C@H](C)NCc1cccc(F)c1F ZINC001266967336 770776672 /nfs/dbraw/zinc/77/66/72/770776672.db2.gz KPGPWGCSYDGYGA-LBPRGKRZSA-N 0 1 296.361 2.915 20 30 CFEDMN O=C(/C=C\c1ccc(F)nc1)c1cc(F)ccc1O ZINC000588523962 770929880 /nfs/dbraw/zinc/92/98/80/770929880.db2.gz MOGXKFWFOYWPCZ-RJRFIUFISA-N 0 1 261.227 2.962 20 30 CFEDMN Cn1ncc(Cl)c1/C=C\C(=O)c1ccccc1O ZINC000588535290 770950714 /nfs/dbraw/zinc/95/07/14/770950714.db2.gz ZUPHZMXJEBRDGE-SREVYHEPSA-N 0 1 262.696 2.675 20 30 CFEDMN C=C(Cl)CN[C@H]1CCCN(C(=O)CCCCC)C1 ZINC001207344612 773209678 /nfs/dbraw/zinc/20/96/78/773209678.db2.gz WMTLICOSYKLJMX-ZDUSSCGKSA-N 0 1 272.820 2.900 20 30 CFEDMN N#C[C@@H]1CN(Cc2csc3ccccc23)CCC1=O ZINC001140638162 773244295 /nfs/dbraw/zinc/24/42/95/773244295.db2.gz KKZQDNATWLSDQN-LLVKDONJSA-N 0 1 270.357 2.816 20 30 CFEDMN CC#CCN(CC)CCNC(=O)[C@@H]1CCCC[C@H]1C1CC1 ZINC001267246468 773256014 /nfs/dbraw/zinc/25/60/14/773256014.db2.gz ARJSECTXDWPNCU-DLBZAZTESA-N 0 1 290.451 2.664 20 30 CFEDMN CC#CCCCC(=O)NCC1CCN(C/C=C/Cl)CC1 ZINC001224150236 775113560 /nfs/dbraw/zinc/11/35/60/775113560.db2.gz ZULCFPPTILPJJE-UXBLZVDNSA-N 0 1 296.842 2.761 20 30 CFEDMN Cc1ccc(C(=O)/C=C\c2cn(C(C)(C)C)nn2)c(O)c1 ZINC000588579042 775132592 /nfs/dbraw/zinc/13/25/92/775132592.db2.gz LFBRIEWVRDAVHV-VURMDHGXSA-N 0 1 285.347 2.943 20 30 CFEDMN CC[C@@H]1OC(C)=C(OCCOc2ccccc2OC)C1=O ZINC001224408044 775175991 /nfs/dbraw/zinc/17/59/91/775175991.db2.gz IRXGTXYNZMWJLT-LBPRGKRZSA-N 0 1 292.331 2.700 20 30 CFEDMN CC[C@H]1OC(C)=C(OCCOc2ccccc2OC)C1=O ZINC001224408043 775176160 /nfs/dbraw/zinc/17/61/60/775176160.db2.gz IRXGTXYNZMWJLT-GFCCVEGCSA-N 0 1 292.331 2.700 20 30 CFEDMN C=CCCN1CC[C@@H]1CNC(=O)c1cccc(C)c1F ZINC001038283326 775218615 /nfs/dbraw/zinc/21/86/15/775218615.db2.gz DMTVGHBQXDCSBL-CYBMUJFWSA-N 0 1 276.355 2.514 20 30 CFEDMN N#Cc1cncc(CN2CCCc3ccccc3C2)c1 ZINC000721571266 775254978 /nfs/dbraw/zinc/25/49/78/775254978.db2.gz DKPFQUHIQKTOHS-UHFFFAOYSA-N 0 1 263.344 2.902 20 30 CFEDMN C=C1O[C@@H](C)C(=O)C1OCC1Cc2ccccc2C1 ZINC001224802118 775277363 /nfs/dbraw/zinc/27/73/63/775277363.db2.gz TVZKXJOKWBYART-JTQLQIEISA-N 0 1 258.317 2.637 20 30 CFEDMN C=C1O[C@H](C)C(=O)C1OCCCCOC(=O)C(C)(C)C ZINC001225146652 775356438 /nfs/dbraw/zinc/35/64/38/775356438.db2.gz VDPGNAZIYONDFG-SNVBAGLBSA-N 0 1 284.352 2.592 20 30 CFEDMN CCCCCCCC[C@H](CC)OCC(=O)N1CCNCC1 ZINC001217898729 775362111 /nfs/dbraw/zinc/36/21/11/775362111.db2.gz XHEVBKMCQZGADZ-INIZCTEOSA-N 0 1 298.471 2.964 20 30 CFEDMN C=C(Cl)CN[C@@H](C)CN(C)C(=O)[C@@H]1C[C@@H]2C=C[C@H]1CC2 ZINC001283612860 775391870 /nfs/dbraw/zinc/39/18/70/775391870.db2.gz SNNUTGGQDQWPIA-LJISPDSOSA-N 0 1 296.842 2.778 20 30 CFEDMN C#CCN[C@H](CNC(=O)[C@@H]1C[C@H]1C1CCC1)c1ccccc1 ZINC001267522697 775419222 /nfs/dbraw/zinc/41/92/22/775419222.db2.gz KLQVVCXQVZXPQI-RCCFBDPRSA-N 0 1 296.414 2.503 20 30 CFEDMN C#CCCN1CC[C@H]1CNC(=O)c1ccccc1C(C)C ZINC001038314845 775427021 /nfs/dbraw/zinc/42/70/21/775427021.db2.gz CATZPMZWOVVHTF-HNNXBMFYSA-N 0 1 284.403 2.637 20 30 CFEDMN C=C[C@@H](CC(=O)OC(C)(C)C)Oc1cccc2[nH]nnc21 ZINC001225990604 775659346 /nfs/dbraw/zinc/65/93/46/775659346.db2.gz DTCNXYNXJHUSGF-JTQLQIEISA-N 0 1 289.335 2.623 20 30 CFEDMN N#CC[C@@H](Oc1cccc2[nH]nnc21)c1ccccc1 ZINC001225990502 775660068 /nfs/dbraw/zinc/66/00/68/775660068.db2.gz AURVFLJVTCYYAH-CYBMUJFWSA-N 0 1 264.288 2.992 20 30 CFEDMN C=CCN1CCC[C@H](NC(=O)CCC2CCCC2)C1 ZINC001267621422 775704182 /nfs/dbraw/zinc/70/41/82/775704182.db2.gz RYIUGRWDDRKXPC-HNNXBMFYSA-N 0 1 264.413 2.723 20 30 CFEDMN CC[C@@H](C)C(=O)NC1CCN(Cc2ccc(C#N)cc2)CC1 ZINC001226130326 775710359 /nfs/dbraw/zinc/71/03/59/775710359.db2.gz ZUXYBVXHHAGJOJ-CQSZACIVSA-N 0 1 299.418 2.685 20 30 CFEDMN CC#CCN1CCC(NC(=O)[C@H](CC)CCCC)CC1 ZINC001226203555 775736947 /nfs/dbraw/zinc/73/69/47/775736947.db2.gz JJDAEZREAZIHPP-OAHLLOKOSA-N 0 1 278.440 2.807 20 30 CFEDMN C=CCC[C@H](C)N1CC(NC(=O)[C@@](C)(C=C)CC)C1 ZINC001267659587 775757300 /nfs/dbraw/zinc/75/73/00/775757300.db2.gz XVZCEIYMLBWBCP-BBRMVZONSA-N 0 1 264.413 2.744 20 30 CFEDMN C=CCC[C@H](C)N1CC(NC(=O)[C@@H]2C[C@H]2c2ccco2)C1 ZINC001267660084 775759814 /nfs/dbraw/zinc/75/98/14/775759814.db2.gz LXSKLIXTPUGGOO-NWANDNLSSA-N 0 1 288.391 2.538 20 30 CFEDMN C=C(C)C(C)(C)C(=O)NCC1CN(CC=C(C)C)C1 ZINC001267687944 775778482 /nfs/dbraw/zinc/77/84/82/775778482.db2.gz SMRVVNPHATUMLA-UHFFFAOYSA-N 0 1 264.413 2.603 20 30 CFEDMN C=CCN1CC(CNC(=O)CC(C)(C)CC(F)(F)F)C1 ZINC001267697218 775787567 /nfs/dbraw/zinc/78/75/67/775787567.db2.gz GRZRPINIJAVUDZ-UHFFFAOYSA-N 0 1 292.345 2.589 20 30 CFEDMN N#C[C@@H]1CC[C@@H](Oc2cc(N)nc3ccccc32)C1 ZINC001226417968 775811791 /nfs/dbraw/zinc/81/17/91/775811791.db2.gz FAQPXWNWSJTFJR-GHMZBOCLSA-N 0 1 253.305 2.888 20 30 CFEDMN N#C[C@H]1CC[C@@H](Oc2cc(N)nc3ccccc32)C1 ZINC001226417969 775812154 /nfs/dbraw/zinc/81/21/54/775812154.db2.gz FAQPXWNWSJTFJR-WDEREUQCSA-N 0 1 253.305 2.888 20 30 CFEDMN C#C[C@@H]1CCC[C@@H]1Oc1[nH]c(=O)nc2nc(Cl)ccc21 ZINC001226556584 775873132 /nfs/dbraw/zinc/87/31/32/775873132.db2.gz PRLOVABOSDSGFX-SCZZXKLOSA-N 0 1 289.722 2.565 20 30 CFEDMN Cc1cc(C#N)cc(Cl)c1O[C@H]1CN2CCC1CC2 ZINC001226596047 775886427 /nfs/dbraw/zinc/88/64/27/775886427.db2.gz UNKVLHNPZYYDOM-AWEZNQCLSA-N 0 1 276.767 2.993 20 30 CFEDMN C=C[C@@H](CC)Oc1nc(=O)[nH]c(C)c1Br ZINC001226780876 775960827 /nfs/dbraw/zinc/96/08/27/775960827.db2.gz CJOXTRVVLHLWRJ-ZETCQYMHSA-N 0 1 273.130 2.597 20 30 CFEDMN C=CC[C@@H](Oc1nc[nH]c(=O)c1Br)C(C)C ZINC001226722072 775938614 /nfs/dbraw/zinc/93/86/14/775938614.db2.gz NEJOYEUSVHMHFH-MRVPVSSYSA-N 0 1 287.157 2.924 20 30 CFEDMN C[C@]1(CO)CCCN(Cc2ccc(F)cc2C#N)CC1 ZINC001141164124 775970190 /nfs/dbraw/zinc/97/01/90/775970190.db2.gz LDTMNSKVUGAOOR-INIZCTEOSA-N 0 1 276.355 2.682 20 30 CFEDMN CCC(C)(C)C(=O)NCC1(NCC#Cc2ccccc2)CC1 ZINC001277157720 775979801 /nfs/dbraw/zinc/97/98/01/775979801.db2.gz IRXFRGACOGZWQZ-UHFFFAOYSA-N 0 1 298.430 2.713 20 30 CFEDMN CC#CC[C@H](CC)Oc1n[nH]c(=O)cc1Br ZINC001226849733 775990348 /nfs/dbraw/zinc/99/03/48/775990348.db2.gz PTUCQJNKJZBWMF-QMMMGPOBSA-N 0 1 285.141 2.516 20 30 CFEDMN CC#CC[C@@H](CC)Oc1n[nH]c(=O)cc1Br ZINC001226849732 775990948 /nfs/dbraw/zinc/99/09/48/775990948.db2.gz PTUCQJNKJZBWMF-MRVPVSSYSA-N 0 1 285.141 2.516 20 30 CFEDMN C#C[C@@H](Oc1[nH]c(=O)nc2cnccc21)[C@@H](CC)CCCC ZINC001226973913 776040038 /nfs/dbraw/zinc/04/00/38/776040038.db2.gz KIMYXTOPYNZMTB-SWLSCSKDSA-N 0 1 299.374 2.915 20 30 CFEDMN C#C[C@@H]1CCC[C@H]1Oc1[nH]c(=O)nc2ccccc21 ZINC001226977874 776044839 /nfs/dbraw/zinc/04/48/39/776044839.db2.gz VNUFLXAJGJKRBM-ZWNOBZJWSA-N 0 1 254.289 2.516 20 30 CFEDMN C#CCCCCC(=O)NCCNCc1ccccc1Cl ZINC001125935036 776094425 /nfs/dbraw/zinc/09/44/25/776094425.db2.gz PMEHWXRQUFBZSL-UHFFFAOYSA-N 0 1 292.810 2.739 20 30 CFEDMN C=CCc1c([O-])ccc(C(C)=O)c1O[C@@H](C)C[N+](C)(C)C ZINC001227120414 776106541 /nfs/dbraw/zinc/10/65/41/776106541.db2.gz KMTCEVHQAIOHLF-LBPRGKRZSA-O 0 1 292.399 2.797 20 30 CFEDMN COC(=O)[C@H]1CC[C@H](Oc2nc3ccc(C#N)cc3[nH]2)CC1 ZINC001227216559 776142001 /nfs/dbraw/zinc/14/20/01/776142001.db2.gz WBWLTUSAURJVCE-HAQNSBGRSA-N 0 1 299.330 2.545 20 30 CFEDMN C#C[C@@H]1CCC[C@@H]1Oc1nc2ccc(C#N)cc2[nH]1 ZINC001227217765 776142088 /nfs/dbraw/zinc/14/20/88/776142088.db2.gz CXNQRNQRWXGXKQ-RISCZKNCSA-N 0 1 251.289 2.615 20 30 CFEDMN C[C@@H]1c2cnccc2C[C@@H]1Oc1nc2ccc(C#N)cc2[nH]1 ZINC001227220863 776143843 /nfs/dbraw/zinc/14/38/43/776143843.db2.gz VREHDIUCMWIJOQ-HWPZZCPQSA-N 0 1 290.326 2.937 20 30 CFEDMN C=C[C@H](Oc1[nH]c(=O)nc2[nH]ccc21)c1ccccc1 ZINC001227275187 776167872 /nfs/dbraw/zinc/16/78/72/776167872.db2.gz VUMJVLJPVHJMPY-LBPRGKRZSA-N 0 1 267.288 2.970 20 30 CFEDMN Cc1ccc2nc(=O)[nH]c(O[C@@H]3CC[C@@H](C#N)C3)c2c1 ZINC001227350704 776183651 /nfs/dbraw/zinc/18/36/51/776183651.db2.gz MZDQZQFDDPOWTH-GHMZBOCLSA-N 0 1 269.304 2.715 20 30 CFEDMN C=C[C@@]1(C)CC[C@@H](C(C)(C)Oc2[nH]c(=S)nnc2C)O1 ZINC001227598162 776237758 /nfs/dbraw/zinc/23/77/58/776237758.db2.gz GTVHFXLHYAAQQE-HZMBPMFUSA-N 0 1 295.408 2.750 20 30 CFEDMN C=C(C)CCC(=O)NC1CCN(C/C=C\Cl)CC1 ZINC001227607389 776241405 /nfs/dbraw/zinc/24/14/05/776241405.db2.gz QLEGXTQBASADOG-BAQGIRSFSA-N 0 1 270.804 2.676 20 30 CFEDMN CC(C)(C)[NH+]1CCC(Oc2ccc([O-])c(C#N)c2C#N)CC1 ZINC001227621340 776246809 /nfs/dbraw/zinc/24/68/09/776246809.db2.gz CUERTHLGFPRCFH-UHFFFAOYSA-N 0 1 299.374 2.777 20 30 CFEDMN C=CCC(CC=C)Oc1nc(=O)[nH]c2c1CO[C@@H]2C ZINC001227713670 776266545 /nfs/dbraw/zinc/26/65/45/776266545.db2.gz PXIRGHJAWLCIFJ-SECBINFHSA-N 0 1 262.309 2.673 20 30 CFEDMN CC(C)(C)N1CC(Oc2cccc3nc(C#N)ccc32)C1 ZINC001227798963 776293666 /nfs/dbraw/zinc/29/36/66/776293666.db2.gz ZGPIPJMGVIHERJ-UHFFFAOYSA-N 0 1 281.359 2.968 20 30 CFEDMN Cc1nc(O[C@@H]2CCCN(C)C2)c(C#N)c(C)c1Cl ZINC001227827884 776300799 /nfs/dbraw/zinc/30/07/99/776300799.db2.gz JUZVFOUAGVRQCR-LLVKDONJSA-N 0 1 279.771 2.697 20 30 CFEDMN N#Cc1cc(Nc2ccc(F)c(F)c2O)ccc1N ZINC001213443418 776413654 /nfs/dbraw/zinc/41/36/54/776413654.db2.gz JEAWCNIKCKXBAL-UHFFFAOYSA-N 0 1 261.231 2.868 20 30 CFEDMN C=CC[C@@H](C)Oc1[nH]c(=O)nc2cc([N+](=O)[O-])ccc21 ZINC001228240533 776431747 /nfs/dbraw/zinc/43/17/47/776431747.db2.gz OOSTWRHSYKXCEE-MRVPVSSYSA-N 0 1 275.264 2.587 20 30 CFEDMN C=CCN1CC2(C1)CCN(C(=O)C(C)(C)CC=C)CC2 ZINC001268045803 776466331 /nfs/dbraw/zinc/46/63/31/776466331.db2.gz JQVNEOWUFQRBLF-UHFFFAOYSA-N 0 1 276.424 2.699 20 30 CFEDMN CC#CCN1CCC[C@@H]1CNC(=O)[C@@H]1CCCC2(CC2)C1 ZINC001027882352 776489395 /nfs/dbraw/zinc/48/93/95/776489395.db2.gz MJKSGWRWQFHUSC-HZPDHXFCSA-N 0 1 288.435 2.561 20 30 CFEDMN C=C[C@H](C#CC(C)(C)C)Oc1nc(Cl)nc2nc[nH]c21 ZINC001228507666 776508788 /nfs/dbraw/zinc/50/87/88/776508788.db2.gz VDCXPVSRNXXMNX-SECBINFHSA-N 0 1 290.754 2.989 20 30 CFEDMN C#CCN1CCC[C@H]1CNC(=O)c1ccc(CCCC)cc1 ZINC001028011640 776555159 /nfs/dbraw/zinc/55/51/59/776555159.db2.gz VTUYFQQADZBTOS-SFHVURJKSA-N 0 1 298.430 2.857 20 30 CFEDMN CC#CCN1CCC[C@H]1CNC(=O)c1ccccc1CCC ZINC001028017511 776557991 /nfs/dbraw/zinc/55/79/91/776557991.db2.gz FKNIFDASRKESFD-KRWDZBQOSA-N 0 1 298.430 2.857 20 30 CFEDMN C=CCN1CCC[C@H]1CNC(=O)c1ccc(F)c(Cl)c1 ZINC001028107897 776628002 /nfs/dbraw/zinc/62/80/02/776628002.db2.gz DVDSJTRVJSCABY-LBPRGKRZSA-N 0 1 296.773 2.859 20 30 CFEDMN CC#CCN1CCC[C@H]1CNC(=O)c1ccc(CCC)cc1 ZINC001028107410 776628440 /nfs/dbraw/zinc/62/84/40/776628440.db2.gz QCHSJUCEDSHYRJ-SFHVURJKSA-N 0 1 298.430 2.857 20 30 CFEDMN C=CCN1CCC[C@@H]1CNC(=O)c1ccc(F)c(Cl)c1 ZINC001028107896 776628452 /nfs/dbraw/zinc/62/84/52/776628452.db2.gz DVDSJTRVJSCABY-GFCCVEGCSA-N 0 1 296.773 2.859 20 30 CFEDMN C=CCN1CCC[C@@H]1CNC(=O)c1ccc(C2CC2)nc1C ZINC001028143527 776655489 /nfs/dbraw/zinc/65/54/89/776655489.db2.gz IYKKKPLOAZRYFB-OAHLLOKOSA-N 0 1 299.418 2.648 20 30 CFEDMN C=CCN1CCC[C@H]1CNC(=O)c1ccc(C2CC2)nc1C ZINC001028143526 776655852 /nfs/dbraw/zinc/65/58/52/776655852.db2.gz IYKKKPLOAZRYFB-HNNXBMFYSA-N 0 1 299.418 2.648 20 30 CFEDMN C=CCCN1CC[C@@H]1CNC(=O)c1oc(CC)cc1C ZINC001038913842 776686167 /nfs/dbraw/zinc/68/61/67/776686167.db2.gz MSCSUOULQMPYTC-CYBMUJFWSA-N 0 1 276.380 2.531 20 30 CFEDMN C=CCC[C@H](C)N1CC(NC(=O)c2cccc(C)c2)C1 ZINC001268247785 776720592 /nfs/dbraw/zinc/72/05/92/776720592.db2.gz FJAOCOVNEAZTNQ-AWEZNQCLSA-N 0 1 272.392 2.764 20 30 CFEDMN C#C[C@H](CCC)Oc1[nH]c(=O)nc2cc(OC)ccc21 ZINC001229136430 776729072 /nfs/dbraw/zinc/72/90/72/776729072.db2.gz BPWGZHKZXHPIHI-SNVBAGLBSA-N 0 1 272.304 2.525 20 30 CFEDMN C#CC[C@@H](CC)Oc1[nH]c(=O)nc2cc(OC)ccc21 ZINC001229137950 776730591 /nfs/dbraw/zinc/73/05/91/776730591.db2.gz QNXIEPGJOYBDSZ-SNVBAGLBSA-N 0 1 272.304 2.525 20 30 CFEDMN C#CC[C@H](CC)Oc1[nH]c(=O)nc2cc(OC)ccc21 ZINC001229137949 776730803 /nfs/dbraw/zinc/73/08/03/776730803.db2.gz QNXIEPGJOYBDSZ-JTQLQIEISA-N 0 1 272.304 2.525 20 30 CFEDMN O/N=C(\O[C@@H]1CCOC[C@@H]1F)c1ccc(Cl)cc1 ZINC001223593675 776737900 /nfs/dbraw/zinc/73/79/00/776737900.db2.gz MCNLYTSKUZHWHD-LUNDZONKSA-N 0 1 273.691 2.619 20 30 CFEDMN N#Cc1ccc(Cl)c(O[C@@H]2CN3CCC2CC3)c1 ZINC001229248169 776764176 /nfs/dbraw/zinc/76/41/76/776764176.db2.gz KIMMHKINQKZPMI-CQSZACIVSA-N 0 1 262.740 2.685 20 30 CFEDMN C=C(C)C(C)(C)C(=O)N[C@H](C)CCNCc1coc(C)n1 ZINC001268388379 776779607 /nfs/dbraw/zinc/77/96/07/776779607.db2.gz BIFBJPOLFSQFCN-GFCCVEGCSA-N 0 1 293.411 2.570 20 30 CFEDMN C#C[C@@H](CCC)Oc1[nH]c(=O)nc2c(C)cccc12 ZINC001229407822 776802523 /nfs/dbraw/zinc/80/25/23/776802523.db2.gz PTIGFQIGWOFARH-NSHDSACASA-N 0 1 256.305 2.825 20 30 CFEDMN C=C[C@H](C#CC(C)(C)C)Oc1nc(C)nc2[nH]cnc21 ZINC001229438313 776810472 /nfs/dbraw/zinc/81/04/72/776810472.db2.gz HVAXKCPZCOLHOR-LLVKDONJSA-N 0 1 270.336 2.644 20 30 CFEDMN N#Cc1cc(F)cc(CN2CCC3(C[C@H]3CCO)CC2)c1 ZINC001139873570 776832896 /nfs/dbraw/zinc/83/28/96/776832896.db2.gz WQNAQVLIJRHFTL-OAHLLOKOSA-N 0 1 288.366 2.682 20 30 CFEDMN CC#CCN1CCC(NC(=O)[C@@H](C)[C@@H](C)C(C)(C)C)CC1 ZINC001229574346 776851407 /nfs/dbraw/zinc/85/14/07/776851407.db2.gz AGIPYBQXJNTGQL-LSDHHAIUSA-N 0 1 292.467 2.909 20 30 CFEDMN CC#CCN1CCC[C@@H]1CNC(=O)C12CCC(CC1)CC2 ZINC001028330255 776859198 /nfs/dbraw/zinc/85/91/98/776859198.db2.gz DOYOSXINNRTIKQ-UPTPFMHGSA-N 0 1 288.435 2.561 20 30 CFEDMN C=CCN1CCC[C@H]1CNC(=O)C12CC(C(C)(C)C)(C1)C2 ZINC001028341573 776865882 /nfs/dbraw/zinc/86/58/82/776865882.db2.gz OLMWKFWNZFGAAW-NNGSBXSVSA-N 0 1 290.451 2.969 20 30 CFEDMN C=CCN1CCC[C@H]1CNC(=O)c1coc2ccccc12 ZINC001028350410 776868496 /nfs/dbraw/zinc/86/84/96/776868496.db2.gz DREVCJFRRLIYSW-ZDUSSCGKSA-N 0 1 284.359 2.813 20 30 CFEDMN C=C[C@@H](C(=O)NC1CN(CC2CCC2)C1)c1ccccc1 ZINC001268483441 776879293 /nfs/dbraw/zinc/87/92/93/776879293.db2.gz MBXJHBKGVUKKFD-QGZVFWFLSA-N 0 1 284.403 2.557 20 30 CFEDMN CC[N@H+]1CCC[C@H](Oc2cc(F)c(F)cc2C#N)C1 ZINC001229838482 776900684 /nfs/dbraw/zinc/90/06/84/776900684.db2.gz RUCHUJCFVPIOGP-NSHDSACASA-N 0 1 266.291 2.700 20 30 CFEDMN CC#CCN1CCC(NC(=O)C[C@H](C)C(C)(C)C)CC1 ZINC001230137885 776955436 /nfs/dbraw/zinc/95/54/36/776955436.db2.gz WDGALCHWLPHIQX-AWEZNQCLSA-N 0 1 278.440 2.663 20 30 CFEDMN CC#CCN1CCC(NC(=O)CCCCCC)CC1 ZINC001230182517 776956507 /nfs/dbraw/zinc/95/65/07/776956507.db2.gz NNQQQEGMOIIRPA-UHFFFAOYSA-N 0 1 264.413 2.561 20 30 CFEDMN C=C1O[C@@H](CC)C(=O)C1Oc1ccc(C(=O)OC)cc1F ZINC001230318377 776978589 /nfs/dbraw/zinc/97/85/89/776978589.db2.gz GUWMJZYJUUBJMC-NSHDSACASA-N 0 1 294.278 2.601 20 30 CFEDMN C=CCCCC(=O)N[C@@H](C)CN(C)Cc1cnccc1C ZINC001268742930 777039712 /nfs/dbraw/zinc/03/97/12/777039712.db2.gz MSLJOCIUHVXYRB-HNNXBMFYSA-N 0 1 289.423 2.683 20 30 CFEDMN C=C(C)CN1CC(CNC(=O)C(C)=C2CCCC2)C1 ZINC001268818050 777062682 /nfs/dbraw/zinc/06/26/82/777062682.db2.gz FAOSPIVRYJHPKN-UHFFFAOYSA-N 0 1 262.397 2.501 20 30 CFEDMN C=C[C@@]1(C)CC[C@H](C(C)(C)Oc2nncc3n[nH]cc32)O1 ZINC001230901406 777088653 /nfs/dbraw/zinc/08/86/53/777088653.db2.gz PNSMYOHGQRQAOU-DOMZBBRYSA-N 0 1 288.351 2.634 20 30 CFEDMN C=CCCC[N@@H+]1CC[C@@H]1CN(C)C(=O)CSCCC ZINC001230947783 777098853 /nfs/dbraw/zinc/09/88/53/777098853.db2.gz GVIHLHJKBGPICV-CQSZACIVSA-N 0 1 284.469 2.629 20 30 CFEDMN C=CCC1(C(=O)N[C@H](CNCC(=C)Cl)C2CC2)CCC1 ZINC001269117084 777103853 /nfs/dbraw/zinc/10/38/53/777103853.db2.gz XGJXZTGTOAXFEG-CQSZACIVSA-N 0 1 296.842 2.970 20 30 CFEDMN C=C(C)CN1CC[C@H]1CN(C)C(=O)C=C1CCCCC1 ZINC001231042196 777122835 /nfs/dbraw/zinc/12/28/35/777122835.db2.gz IHDMKBNAAOOXNK-INIZCTEOSA-N 0 1 276.424 2.986 20 30 CFEDMN C=CCCCCCN1CC[C@@H]1CNC(=O)c1cc(C)on1 ZINC001269196902 777137246 /nfs/dbraw/zinc/13/72/46/777137246.db2.gz ZVTRYCWPQNBJSJ-CQSZACIVSA-N 0 1 291.395 2.534 20 30 CFEDMN C#CCCCCC(=O)NC[C@H]1CCN1Cc1ccccc1C ZINC001269223412 777143801 /nfs/dbraw/zinc/14/38/01/777143801.db2.gz NTYYUUPKOADHMV-GOSISDBHSA-N 0 1 298.430 2.879 20 30 CFEDMN C=CCCC(=O)N(C)C[C@@H]1CCN1Cc1cccc(C)c1 ZINC001231115392 777145211 /nfs/dbraw/zinc/14/52/11/777145211.db2.gz VISLNXKEFMFNDB-KRWDZBQOSA-N 0 1 286.419 2.994 20 30 CFEDMN C/C=C(/C)C(=O)N(C)[C@@H]1CCN(Cc2ccc(C#N)cc2)C1 ZINC001269227919 777145970 /nfs/dbraw/zinc/14/59/70/777145970.db2.gz UYUWAKGKHRRLJC-ZGKREOHOSA-N 0 1 297.402 2.557 20 30 CFEDMN CC(C)(C)C#CC(=O)NC[C@H]1CCN1CC1=CCCCC1 ZINC001269235684 777146623 /nfs/dbraw/zinc/14/66/23/777146623.db2.gz NCNSYMFYZJAWGS-MRXNPFEDSA-N 0 1 288.435 2.727 20 30 CFEDMN C=CCCC(=O)N(C)C[C@@H]1CCN1Cc1ccccc1 ZINC001231122672 777148997 /nfs/dbraw/zinc/14/89/97/777148997.db2.gz MSKGJTMSMBAADY-INIZCTEOSA-N 0 1 272.392 2.686 20 30 CFEDMN C#CCCN1CC[C@H]1CNC(=O)C1(CC(C)C)CCCC1 ZINC001269321346 777169453 /nfs/dbraw/zinc/16/94/53/777169453.db2.gz TXKRIJAEWMHRMG-INIZCTEOSA-N 0 1 290.451 2.807 20 30 CFEDMN C=C(C)CN1CC[C@@H]1CNC(=O)[C@H](CC)CCC ZINC001269327760 777171335 /nfs/dbraw/zinc/17/13/35/777171335.db2.gz ZDTULZVSGYPDLW-ZIAGYGMSSA-N 0 1 252.402 2.579 20 30 CFEDMN Cc1cc(O)c([N+](=O)[O-])c(O[C@H](C)C#C[Si](C)(C)C)n1 ZINC001231265118 777180817 /nfs/dbraw/zinc/18/08/17/777180817.db2.gz YOVNCNCTBXHPIC-SNVBAGLBSA-N 0 1 294.383 2.652 20 30 CFEDMN CC#CCN1CC[C@H]2CC[C@@H](C1)N2C(=O)[C@@H](C)CCCC ZINC001269589659 777217265 /nfs/dbraw/zinc/21/72/65/777217265.db2.gz NHYLXLHQUQIOQM-BBWFWOEESA-N 0 1 290.451 2.901 20 30 CFEDMN C=CCN1CC[C@H]2CC[C@@H](C1)N2C(=O)C(C)(C)CC=C ZINC001269597901 777218862 /nfs/dbraw/zinc/21/88/62/777218862.db2.gz RAFWFNIFJAVFFH-CABCVRRESA-N 0 1 276.424 2.840 20 30 CFEDMN C=CCC(CC=C)C(=O)N1CC[C@@]2(CCN(CCF)C2)C1 ZINC001269733150 777238146 /nfs/dbraw/zinc/23/81/46/777238146.db2.gz WSIMPNQKVNOQQV-QGZVFWFLSA-N 0 1 294.414 2.649 20 30 CFEDMN C=CCC(CC=C)C(=O)N1CC[C@]2(CCN(CCF)C2)C1 ZINC001269733149 777238539 /nfs/dbraw/zinc/23/85/39/777238539.db2.gz WSIMPNQKVNOQQV-KRWDZBQOSA-N 0 1 294.414 2.649 20 30 CFEDMN C=C[C@](C)(CC)C(=O)N(C)C1CN(CC2CCCC2)C1 ZINC001269843530 777258452 /nfs/dbraw/zinc/25/84/52/777258452.db2.gz MVBPOZSTJFYDSA-QGZVFWFLSA-N 0 1 278.440 2.922 20 30 CFEDMN C=C(C)CCC(=O)N1C[C@H]2CN(C/C=C\Cl)C[C@@]2(C)C1 ZINC001101253333 777259920 /nfs/dbraw/zinc/25/99/20/777259920.db2.gz KINOJEPYAWZJGG-ULJGCTHBSA-N 0 1 296.842 2.876 20 30 CFEDMN C=C(C)CCC(=O)N1CC[C@@H](NCc2ccon2)C[C@H]1C ZINC001269939897 777277086 /nfs/dbraw/zinc/27/70/86/777277086.db2.gz ZKKWEBFMGFCIHQ-ZIAGYGMSSA-N 0 1 291.395 2.500 20 30 CFEDMN C=CCOc1cccc(CN2C[C@H]3CC[C@@H](C2)C3=O)c1 ZINC001231625095 777283689 /nfs/dbraw/zinc/28/36/89/777283689.db2.gz LRUIQGKXGAHVCM-GASCZTMLSA-N 0 1 271.360 2.662 20 30 CFEDMN C#Cc1cccc(CN2CC[C@@H](C)[C@](O)(C(F)(F)F)C2)c1 ZINC001231658286 777295852 /nfs/dbraw/zinc/29/58/52/777295852.db2.gz UJFSOZVWMLPIRY-DOMZBBRYSA-N 0 1 297.320 2.803 20 30 CFEDMN C#Cc1cccc(CN2CCN(C)c3nc(C)ccc3C2)c1 ZINC001231656829 777296192 /nfs/dbraw/zinc/29/61/92/777296192.db2.gz GYOCKUNTXJFLEU-UHFFFAOYSA-N 0 1 291.398 2.823 20 30 CFEDMN C#Cc1cccc(CN2CCC(F)(C(=O)OCC)CC2)c1 ZINC001231659469 777297357 /nfs/dbraw/zinc/29/73/57/777297357.db2.gz MRQXISJKIAOSLL-UHFFFAOYSA-N 0 1 289.350 2.535 20 30 CFEDMN CCCC[N@H+](CCC#N)Cc1ccc(OC)c(C(=O)[O-])c1 ZINC001231752877 777324005 /nfs/dbraw/zinc/32/40/05/777324005.db2.gz QIUYEBVXVXUFSI-UHFFFAOYSA-N 0 1 290.363 2.909 20 30 CFEDMN CCCC[N@@H+](CCC#N)Cc1ccc(OC)c(C(=O)[O-])c1 ZINC001231752877 777324009 /nfs/dbraw/zinc/32/40/09/777324009.db2.gz QIUYEBVXVXUFSI-UHFFFAOYSA-N 0 1 290.363 2.909 20 30 CFEDMN C#CC[N@H+](C)Cc1cc(Cl)c([O-])c(Br)c1 ZINC001231749013 777324065 /nfs/dbraw/zinc/32/40/65/777324065.db2.gz VDHVMGZIKAGSCD-UHFFFAOYSA-N 0 1 288.572 2.873 20 30 CFEDMN N#C[C@@H]1CN(Cc2ccc(-c3ccccc3)o2)CCC1=O ZINC001231813265 777342175 /nfs/dbraw/zinc/34/21/75/777342175.db2.gz WPYHURZAPSGAOL-CQSZACIVSA-N 0 1 280.327 2.861 20 30 CFEDMN C=C(Cl)CNC[C@@H](NC(=O)C#CC(C)C)C1CCCC1 ZINC001270396505 777370040 /nfs/dbraw/zinc/37/00/40/777370040.db2.gz IUJLYLWVUSTEHM-OAHLLOKOSA-N 0 1 296.842 2.663 20 30 CFEDMN CC#CC[N@H+]1CC[C@@H](CNC(=O)[C@H]2CCCC(C)(C)C2)C1 ZINC001029009950 777377428 /nfs/dbraw/zinc/37/74/28/777377428.db2.gz WSKSEQTWOZCZEN-HOTGVXAUSA-N 0 1 290.451 2.664 20 30 CFEDMN N#Cc1ccc(CN2CCC[C@H](CO)CC2)cc1Cl ZINC001232111232 777443303 /nfs/dbraw/zinc/44/33/03/777443303.db2.gz CQXWCWOSYKBESX-LBPRGKRZSA-N 0 1 278.783 2.806 20 30 CFEDMN C=CCCCN1CC(N(C)C(=O)[C@H](C)CC(F)(F)F)C1 ZINC001277630767 777478338 /nfs/dbraw/zinc/47/83/38/777478338.db2.gz CYQIPDBYCAEBMT-LLVKDONJSA-N 0 1 292.345 2.684 20 30 CFEDMN C=CCCN1CC(N(C)C(=O)CC(C)(C)CC(F)F)C1 ZINC001277631811 777481093 /nfs/dbraw/zinc/48/10/93/777481093.db2.gz PQIXQXKUKXCBCE-UHFFFAOYSA-N 0 1 288.382 2.777 20 30 CFEDMN C=CCN1CCN(Cc2nccc3ccccc32)CC1 ZINC001232252962 777493563 /nfs/dbraw/zinc/49/35/63/777493563.db2.gz CBVBUTUOWZUNTI-UHFFFAOYSA-N 0 1 267.376 2.538 20 30 CFEDMN C#CCN(C)Cc1ccccc1CNC(=O)/C(C)=C/CC ZINC001280314919 777562331 /nfs/dbraw/zinc/56/23/31/777562331.db2.gz FFPBTCYKPOIZRW-OQLLNIDSSA-N 0 1 284.403 2.724 20 30 CFEDMN CC1(C)CCC2(CCN(Cc3cc(C#N)ccn3)CC2)O1 ZINC001232480179 777575865 /nfs/dbraw/zinc/57/58/65/777575865.db2.gz MJQLUFHFLNVDPJ-UHFFFAOYSA-N 0 1 285.391 2.877 20 30 CFEDMN N#Cc1ccnc(CN2CC[C@H](Oc3ccccc3)C2)c1 ZINC001232480724 777576069 /nfs/dbraw/zinc/57/60/69/777576069.db2.gz IGFDCSMMNVJJGD-KRWDZBQOSA-N 0 1 279.343 2.607 20 30 CFEDMN CC#CCN1CC[C@H](NC(=O)C2CCCCCC2)[C@H]1CC ZINC001087516505 777576916 /nfs/dbraw/zinc/57/69/16/777576916.db2.gz DQOMKHQXTKFYAZ-DLBZAZTESA-N 0 1 290.451 2.949 20 30 CFEDMN C#CCN1CCC[C@@](C)(CNC(=O)CC(C)(C)CC)C1 ZINC001270966042 777616852 /nfs/dbraw/zinc/61/68/52/777616852.db2.gz UPJBKBXSDJIYIC-KRWDZBQOSA-N 0 1 278.440 2.664 20 30 CFEDMN C[C@]1(F)CCC[N@@H+](Cc2cc(C#N)ccc2[O-])CC1 ZINC001232673452 777636163 /nfs/dbraw/zinc/63/61/63/777636163.db2.gz GZBFSCHVVOHPOH-HNNXBMFYSA-N 0 1 262.328 2.978 20 30 CFEDMN Cc1cc([C@H]2CCC[N@H+]2Cc2cc(C#N)ccc2[O-])no1 ZINC001232673411 777637213 /nfs/dbraw/zinc/63/72/13/777637213.db2.gz FOHMVNWCSIRPCZ-OAHLLOKOSA-N 0 1 283.331 2.897 20 30 CFEDMN N#Cc1ccc(O)c(CN2CC[C@H](CF)C(F)(F)C2)c1 ZINC001232673998 777638928 /nfs/dbraw/zinc/63/89/28/777638928.db2.gz PLQNHPYPBPATPM-GFCCVEGCSA-N 0 1 284.281 2.691 20 30 CFEDMN CC(C)[N@@H+](Cc1cc(C#N)ccc1[O-])C1CCOCC1 ZINC001232680575 777640425 /nfs/dbraw/zinc/64/04/25/777640425.db2.gz FEVIANLNYIDMCA-UHFFFAOYSA-N 0 1 274.364 2.653 20 30 CFEDMN C=CCCCC(=O)N(C)[C@H](C)CNCc1ncc(C)s1 ZINC001271084601 777646187 /nfs/dbraw/zinc/64/61/87/777646187.db2.gz YJDKFDHQQNMXRX-GFCCVEGCSA-N 0 1 295.452 2.744 20 30 CFEDMN C#CCN1CC[C@H](NC(=O)C2CCC3(CC3)CC2)[C@H]1CC ZINC001087660548 777674260 /nfs/dbraw/zinc/67/42/60/777674260.db2.gz QOAPQSLWHIBTBU-JKSUJKDBSA-N 0 1 288.435 2.559 20 30 CFEDMN CC#CCN1CC[C@H](NC(=O)C2(C)CCCC2)[C@H]1CC ZINC001087676749 777677786 /nfs/dbraw/zinc/67/77/86/777677786.db2.gz GEINBMMXNDZBNA-LSDHHAIUSA-N 0 1 276.424 2.559 20 30 CFEDMN C=CCN1CC[C@H](NC(=O)c2nc(Cl)cs2)[C@H]1CC ZINC001087701184 777682526 /nfs/dbraw/zinc/68/25/26/777682526.db2.gz MXSPYAIZFWPEEX-VHSXEESVSA-N 0 1 299.827 2.565 20 30 CFEDMN C#CC[N@@H+]1CC[C@H](NC(=O)[C@@H](C)c2cccc(C)c2)[C@H]1CC ZINC001087742921 777691808 /nfs/dbraw/zinc/69/18/08/777691808.db2.gz HEWYKDOXNWLLLU-RYQLBKOJSA-N 0 1 298.430 2.701 20 30 CFEDMN C#CCN1CC[C@H](NC(=O)[C@@H](C)c2cccc(C)c2)[C@H]1CC ZINC001087742921 777691821 /nfs/dbraw/zinc/69/18/21/777691821.db2.gz HEWYKDOXNWLLLU-RYQLBKOJSA-N 0 1 298.430 2.701 20 30 CFEDMN C=CCN1CC[C@H](NC(=O)c2cc(C(C)C)no2)[C@H]1CC ZINC001087749714 777692855 /nfs/dbraw/zinc/69/28/55/777692855.db2.gz WAENGPUFYOLESR-GXTWGEPZSA-N 0 1 291.395 2.567 20 30 CFEDMN C=CCN1CC[C@H](NC(=O)c2cc(C)c(CC)o2)[C@H]1CC ZINC001087794194 777701005 /nfs/dbraw/zinc/70/10/05/777701005.db2.gz ZBTBYTOXRYZKGO-UONOGXRCSA-N 0 1 290.407 2.919 20 30 CFEDMN Cc1cc(-c2noc([C@@H]3C[C@H](C)CCN3)n2)ccc1C#N ZINC001211880619 777712911 /nfs/dbraw/zinc/71/29/11/777712911.db2.gz KVFRYYMLPFWHEL-YGRLFVJLSA-N 0 1 282.347 2.977 20 30 CFEDMN Cc1ccc(CN2CCCC[C@](O)(CF)C2)c(C#N)c1 ZINC001232961895 777738871 /nfs/dbraw/zinc/73/88/71/777738871.db2.gz IRQDUARWNVQOCH-INIZCTEOSA-N 0 1 276.355 2.553 20 30 CFEDMN Cc1ccc(CN2CCC[C@@](F)(CO)CC2)c(C#N)c1 ZINC001232963405 777740968 /nfs/dbraw/zinc/74/09/68/777740968.db2.gz GLKABFJPUXVXNZ-INIZCTEOSA-N 0 1 276.355 2.553 20 30 CFEDMN C=C[C@@](C)(CC)C(=O)N1C[C@H]2CC[C@@H](C1)N2CCCF ZINC001029454244 777741590 /nfs/dbraw/zinc/74/15/90/777741590.db2.gz WOQFWRDJEYHCJI-LZWOXQAQSA-N 0 1 282.403 2.624 20 30 CFEDMN CCCC[C@@H](C)C(=O)NCCNCC#Cc1ccccc1 ZINC001126559349 777750683 /nfs/dbraw/zinc/75/06/83/777750683.db2.gz DIKWDZRSNHNQPO-MRXNPFEDSA-N 0 1 286.419 2.570 20 30 CFEDMN COc1cccc(NC(=O)C(C#N)C(=O)C2CCCC2)c1 ZINC000127011317 777763509 /nfs/dbraw/zinc/76/35/09/777763509.db2.gz MEYCJONTQKFNDB-AWEZNQCLSA-N 0 1 286.331 2.533 20 30 CFEDMN CN(CCC#N)Cc1c(O)cc(Br)cc1F ZINC001233026942 777770408 /nfs/dbraw/zinc/77/04/08/777770408.db2.gz IQAKOEZPFBIUSF-UHFFFAOYSA-N 0 1 287.132 2.639 20 30 CFEDMN CCCN(CCOC)Cc1ccc(N(C)C)c(C#N)c1F ZINC001233096524 777794393 /nfs/dbraw/zinc/79/43/93/777794393.db2.gz HOQMXDHTGOJYHU-UHFFFAOYSA-N 0 1 293.386 2.622 20 30 CFEDMN CN(C)c1ccc(CN2CCC(C)(C)C2)c(F)c1C#N ZINC001233100694 777794932 /nfs/dbraw/zinc/79/49/32/777794932.db2.gz LRJZHDLUGRLBGM-UHFFFAOYSA-N 0 1 275.371 2.995 20 30 CFEDMN CO[C@@H]1CCN(Cc2ccc(C#N)c(SC)n2)[C@H](C)C1 ZINC001141948425 777796509 /nfs/dbraw/zinc/79/65/09/777796509.db2.gz XUDORVHTPIZWKP-BXUZGUMPSA-N 0 1 291.420 2.674 20 30 CFEDMN C=CCCC(=O)N(C)C[C@H](C)NCc1nc(C)c(C)s1 ZINC001277770663 777809133 /nfs/dbraw/zinc/80/91/33/777809133.db2.gz GYEFAXXQKLQDLR-NSHDSACASA-N 0 1 295.452 2.663 20 30 CFEDMN Cc1c[nH]c(=O)c(CN2CCc3ccc(C#N)cc3C2)c1 ZINC001233192003 777823605 /nfs/dbraw/zinc/82/36/05/777823605.db2.gz VJRSHIWTCRVAMC-UHFFFAOYSA-N 0 1 279.343 2.526 20 30 CFEDMN C=CCCC(=O)NC[C@@H](NCC#CC)c1ccccc1CC ZINC001271437505 777849860 /nfs/dbraw/zinc/84/98/60/777849860.db2.gz HYPBJHNWJMDBRB-GOSISDBHSA-N 0 1 298.430 2.985 20 30 CFEDMN N#CC[C@@H]1CCC[N@H+](Cc2c([O-])ccc(F)c2F)C1 ZINC001233334555 777893650 /nfs/dbraw/zinc/89/36/50/777893650.db2.gz LLTGOWCPBLXLAS-JTQLQIEISA-N 0 1 266.291 2.796 20 30 CFEDMN C[C@@]1(F)CCCC[N@@H+](Cc2ccc(C#N)cc2[O-])C1 ZINC001233383383 777924761 /nfs/dbraw/zinc/92/47/61/777924761.db2.gz FYDXJTWIISVUOO-OAHLLOKOSA-N 0 1 262.328 2.978 20 30 CFEDMN COc1ccc(C[N@@H+](C)Cc2ccc(C#N)cc2[O-])cc1 ZINC001233384098 777927850 /nfs/dbraw/zinc/92/78/50/777927850.db2.gz GWFMCOVOYGELFK-UHFFFAOYSA-N 0 1 282.343 2.904 20 30 CFEDMN C[N@@H+](Cc1cccc(O)c1)Cc1ccc(C#N)cc1[O-] ZINC001233383472 777927988 /nfs/dbraw/zinc/92/79/88/777927988.db2.gz JFUYXYMRGDGCJR-UHFFFAOYSA-N 0 1 268.316 2.601 20 30 CFEDMN N#Cc1ccc(C[N@@H+]2C[C@@H]3CC(F)(F)C[C@@H]3C2)c([O-])c1 ZINC001233384330 777928116 /nfs/dbraw/zinc/92/81/16/777928116.db2.gz RJWUGNGAEIUDLS-BETUJISGSA-N 0 1 278.302 2.741 20 30 CFEDMN N#Cc1ccc(C[N@H+]2CC[C@H](c3cccnc3)C2)c([O-])c1 ZINC001233386462 777929031 /nfs/dbraw/zinc/92/90/31/777929031.db2.gz VBQOVPWNAUMKGE-HNNXBMFYSA-N 0 1 279.343 2.648 20 30 CFEDMN C#CCN1CCN(Cc2ccc3nc(Cl)ccc3c2)CC1 ZINC001233444889 777953658 /nfs/dbraw/zinc/95/36/58/777953658.db2.gz IJEIJGYTBPGWLG-UHFFFAOYSA-N 0 1 299.805 2.639 20 30 CFEDMN CCN1CC[C@@H](Oc2c(Cl)cccc2C#N)C1 ZINC001233546807 777984246 /nfs/dbraw/zinc/98/42/46/777984246.db2.gz CIFNMZAMEHFJLQ-LLVKDONJSA-N 0 1 250.729 2.685 20 30 CFEDMN C#C[C@@H](CCCCC)Oc1n[nH]c(=O)cc1Cl ZINC001233587680 777999179 /nfs/dbraw/zinc/99/91/79/777999179.db2.gz WXSWRDJXEVDYAS-VIFPVBQESA-N 0 1 254.717 2.797 20 30 CFEDMN C=CC(C)(C)C(=O)NC[C@@H](NCc1cscn1)C(C)C ZINC001271879317 778008754 /nfs/dbraw/zinc/00/87/54/778008754.db2.gz ZFSKYCAARTXXHG-CYBMUJFWSA-N 0 1 295.452 2.586 20 30 CFEDMN C#C[C@@H](CC(C)C)Oc1nc2cccc(C(=O)OC)c2[nH]1 ZINC001234044915 778150488 /nfs/dbraw/zinc/15/04/88/778150488.db2.gz QMRWMZYIKAFBIH-NSHDSACASA-N 0 1 286.331 2.776 20 30 CFEDMN CC#CC[C@H](CC)Oc1nc2cccc(C(=O)OC)c2[nH]1 ZINC001234045253 778151704 /nfs/dbraw/zinc/15/17/04/778151704.db2.gz SIOGSGJLBYASRX-NSHDSACASA-N 0 1 286.331 2.920 20 30 CFEDMN Cc1ccc(CN2CC[C@H]2CN(C)C(=O)C#CC(C)C)cc1 ZINC001234118794 778169715 /nfs/dbraw/zinc/16/97/15/778169715.db2.gz LJSNWGHSKUJOGY-SFHVURJKSA-N 0 1 298.430 2.687 20 30 CFEDMN CC(C)C#CC(=O)N(C)C[C@H]1CCN1[C@@H](C)c1ccccc1 ZINC001234130920 778171945 /nfs/dbraw/zinc/17/19/45/778171945.db2.gz ORANDADHJRYGKX-FUHWJXTLSA-N 0 1 298.430 2.940 20 30 CFEDMN CC#CCN(C)CCN(C)C(=O)c1cccc2c1CCCC2 ZINC001272027937 778173485 /nfs/dbraw/zinc/17/34/85/778173485.db2.gz NWZBDRNYCKFRDV-UHFFFAOYSA-N 0 1 298.430 2.593 20 30 CFEDMN C=CCCOCCCCC(=O)N(C)C[C@@H]1CC[N@@H+]1C(C)C ZINC001234275737 778198536 /nfs/dbraw/zinc/19/85/36/778198536.db2.gz FOEIUBONSNFKTC-INIZCTEOSA-N 0 1 296.455 2.691 20 30 CFEDMN C=CCC(CC=C)C(=O)N(C)C[C@H]1CCN1CCCF ZINC001234518896 778242457 /nfs/dbraw/zinc/24/24/57/778242457.db2.gz YDILFWQSOOOZLM-OAHLLOKOSA-N 0 1 282.403 2.647 20 30 CFEDMN C#C[C@@H](CCCC)Oc1[nH]c(=O)nc2ccc(C#N)cc21 ZINC001234530275 778244593 /nfs/dbraw/zinc/24/45/93/778244593.db2.gz JSBKWROMUHEWLP-LBPRGKRZSA-N 0 1 281.315 2.778 20 30 CFEDMN C=C[C@@H](CC)Oc1[nH]c(=O)nc2ccc(C#N)cc21 ZINC001234529209 778245290 /nfs/dbraw/zinc/24/52/90/778245290.db2.gz CTVYFSMRXGFMQJ-JTQLQIEISA-N 0 1 255.277 2.550 20 30 CFEDMN CCC[C@@H](C)Oc1[nH]c(=O)nc2ccc(C#N)cc21 ZINC001234531306 778246103 /nfs/dbraw/zinc/24/61/03/778246103.db2.gz XTKHTWQECABSAV-SECBINFHSA-N 0 1 257.293 2.774 20 30 CFEDMN C=C(Cl)C(C)(C)C(=O)N(C)C[C@@H]1CCN1CCCF ZINC001234554421 778251873 /nfs/dbraw/zinc/25/18/73/778251873.db2.gz IKFKGFVXUCEQPB-LBPRGKRZSA-N 0 1 290.810 2.657 20 30 CFEDMN C=C[C@@H](CCCC)Oc1nc(F)nc2nc[nH]c21 ZINC001234690369 778288260 /nfs/dbraw/zinc/28/82/60/778288260.db2.gz AHEMNLNXWWNQNY-QMMMGPOBSA-N 0 1 250.277 2.616 20 30 CFEDMN CC[C@H](C#Cc1ccccc1)Oc1nc(F)nc2nc[nH]c21 ZINC001234691900 778290034 /nfs/dbraw/zinc/29/00/34/778290034.db2.gz IWVKYKQOPLSALM-GFCCVEGCSA-N 0 1 296.305 2.701 20 30 CFEDMN CCC1=C(Oc2nc3sccc3[nH]2)C(=O)[C@H](C)O1 ZINC001234847865 778307810 /nfs/dbraw/zinc/30/78/10/778307810.db2.gz MJNMPWOZXYXOMZ-LURJTMIESA-N 0 1 264.306 2.613 20 30 CFEDMN CC/C=C(\C)C(=O)NCCCN(C)Cc1ccccc1C#N ZINC001234940612 778334028 /nfs/dbraw/zinc/33/40/28/778334028.db2.gz AGPMYQORJSJXSX-OVCLIPMQSA-N 0 1 299.418 2.853 20 30 CFEDMN C=CCN1CC[C@H](NC(=O)C(C)(C)C2CCCC2)[C@H]1C ZINC001088628079 778371097 /nfs/dbraw/zinc/37/10/97/778371097.db2.gz YJLFQXNYKUTGDZ-HIFRSBDPSA-N 0 1 278.440 2.968 20 30 CFEDMN C=CCN1CC[C@@H]1CN(C)C(=O)CC1(c2ccccc2)CC1 ZINC001235139882 778394652 /nfs/dbraw/zinc/39/46/52/778394652.db2.gz CZJMXDKUYMXHEL-QGZVFWFLSA-N 0 1 298.430 2.827 20 30 CFEDMN C=CC[N@H+](C)Cc1cc(F)cc(Br)c1[O-] ZINC001235301726 778449591 /nfs/dbraw/zinc/44/95/91/778449591.db2.gz GFHICEUDWFDYGB-UHFFFAOYSA-N 0 1 274.133 2.912 20 30 CFEDMN CC(C)CCC(=O)C(C#N)C(=O)Nc1ccccc1 ZINC000127941272 778456383 /nfs/dbraw/zinc/45/63/83/778456383.db2.gz HUCRUEBQOPKIRD-CYBMUJFWSA-N 0 1 258.321 2.770 20 30 CFEDMN CC#CCO[C@@H]1CCCN(Cc2ccccc2F)C1 ZINC001224359372 778484917 /nfs/dbraw/zinc/48/49/17/778484917.db2.gz UXEFYZOWYIZHOE-OAHLLOKOSA-N 0 1 261.340 2.830 20 30 CFEDMN C=CCCC(=O)NCCCN(C)Cc1ccc(F)cc1F ZINC001235452010 778495189 /nfs/dbraw/zinc/49/51/89/778495189.db2.gz TXBVRACBICCWKR-UHFFFAOYSA-N 0 1 296.361 2.869 20 30 CFEDMN C=CCCC(=O)NCCCN(C)Cc1ccc(Cl)nc1 ZINC001235479878 778503607 /nfs/dbraw/zinc/50/36/07/778503607.db2.gz GRSIAYHCAQJQDQ-UHFFFAOYSA-N 0 1 295.814 2.639 20 30 CFEDMN C[N@@H+](Cc1ccncc1)Cc1ccccc1CC#N ZINC001235510311 778508924 /nfs/dbraw/zinc/50/89/24/778508924.db2.gz AGRORBBSOFEPJS-UHFFFAOYSA-N 0 1 251.333 2.780 20 30 CFEDMN CN(Cc1ccncc1)Cc1ccccc1CC#N ZINC001235510311 778508927 /nfs/dbraw/zinc/50/89/27/778508927.db2.gz AGRORBBSOFEPJS-UHFFFAOYSA-N 0 1 251.333 2.780 20 30 CFEDMN C=CCN1CC[C@H](NC(=O)c2ccccc2CC)[C@H]1C ZINC001088825236 778540477 /nfs/dbraw/zinc/54/04/77/778540477.db2.gz WKWLYMLKRDWCDR-CJNGLKHVSA-N 0 1 272.392 2.628 20 30 CFEDMN N#C[C@@H]1C[C@H]2CC[C@@H](C1)N2Cc1nc2ccc(F)cc2[nH]1 ZINC001235695577 778540743 /nfs/dbraw/zinc/54/07/43/778540743.db2.gz PWMSVYZGFFBOKP-UOJUARBOSA-N 0 1 284.338 2.969 20 30 CFEDMN C#CCN1C[C@@H]2CCN(C(=O)CC3CCCCCC3)[C@@H]2C1 ZINC001076296190 778581286 /nfs/dbraw/zinc/58/12/86/778581286.db2.gz SASORRWNWHNOSM-DLBZAZTESA-N 0 1 288.435 2.513 20 30 CFEDMN CC#CCN1CC[C@H](NC(=O)C2(C)CCCCC2)[C@H]1C ZINC001088834512 778600053 /nfs/dbraw/zinc/60/00/53/778600053.db2.gz XQSMAQVLZONJKH-CABCVRRESA-N 0 1 276.424 2.559 20 30 CFEDMN CN1CCN(c2ccc(-c3ccc(CC#N)cc3)cn2)CC1 ZINC001235972528 778634519 /nfs/dbraw/zinc/63/45/19/778634519.db2.gz CQGZVGNMXQDPTP-UHFFFAOYSA-N 0 1 292.386 2.566 20 30 CFEDMN Cc1cccc(-c2ccc(N3CCN(C)CC3)nc2)c1C#N ZINC001235973243 778635274 /nfs/dbraw/zinc/63/52/74/778635274.db2.gz OCWPNBRPPKQRMV-UHFFFAOYSA-N 0 1 292.386 2.681 20 30 CFEDMN CN1CCN(c2ccc(-c3cccc(CS)c3)cn2)CC1 ZINC001235978020 778636434 /nfs/dbraw/zinc/63/64/34/778636434.db2.gz FIWDHWRZXIUMRR-UHFFFAOYSA-N 0 1 299.443 2.930 20 30 CFEDMN C=C(C)CN1CCC[C@@H](NC(=O)[C@@]23C[C@@H]2CCCC3)C1 ZINC001030027213 778728718 /nfs/dbraw/zinc/72/87/18/778728718.db2.gz ZJTWNUWPWGBIBI-UXLLHSPISA-N 0 1 276.424 2.723 20 30 CFEDMN COc1cc(C)cc(F)c1-c1cc2nc[nH]c2c(C#N)n1 ZINC001236206813 778734818 /nfs/dbraw/zinc/73/48/18/778734818.db2.gz YQQWZAVDAANYMS-UHFFFAOYSA-N 0 1 282.278 2.953 20 30 CFEDMN CCOc1ncc(Cl)cc1-c1cc2[nH]cnc2c(C#N)n1 ZINC001236488882 778847813 /nfs/dbraw/zinc/84/78/13/778847813.db2.gz SVZQGJORIKUVNP-UHFFFAOYSA-N 0 1 299.721 2.944 20 30 CFEDMN C=CCN1CC[C@H](NC(=O)c2cc([C@@H](C)CC)no2)[C@H]1C ZINC001088906899 778943373 /nfs/dbraw/zinc/94/33/73/778943373.db2.gz QVOZTCTYPCILSS-XQQFMLRXSA-N 0 1 291.395 2.567 20 30 CFEDMN C=CCN1CC[C@H](NC(=O)c2ccc3cnccc3c2)[C@H]1C ZINC001088961797 778961654 /nfs/dbraw/zinc/96/16/54/778961654.db2.gz YEWQTZYYWHPSKY-DYVFJYSZSA-N 0 1 295.386 2.613 20 30 CFEDMN C#CCN1CC[C@H](NC(=O)c2ccc(C(C)C)cc2)[C@H]1C ZINC001088999722 778971065 /nfs/dbraw/zinc/97/10/65/778971065.db2.gz PWBSNLJBIQLJAL-PBHICJAKSA-N 0 1 284.403 2.636 20 30 CFEDMN C=CCN1CC[C@H](NC(=O)c2ccc(C(F)F)o2)[C@H]1C ZINC001089010836 778974135 /nfs/dbraw/zinc/97/41/35/778974135.db2.gz WWMAUYALOAIMSM-ZJUUUORDSA-N 0 1 284.306 2.596 20 30 CFEDMN C=CCN1CC[C@H](NC(=O)c2cc(C)c(CC)s2)[C@H]1C ZINC001089027029 778977017 /nfs/dbraw/zinc/97/70/17/778977017.db2.gz SBFKVLDPLDSRJA-OLZOCXBDSA-N 0 1 292.448 2.998 20 30 CFEDMN C=C(C)CCN1CC(NC(=O)C[C@H]2CCCC2(F)F)C1 ZINC001030841357 779052912 /nfs/dbraw/zinc/05/29/12/779052912.db2.gz IDUKHTUOFATFCF-GFCCVEGCSA-N 0 1 286.366 2.579 20 30 CFEDMN Cc1ccc(CN2CCNC3=CCCC[C@H]32)c(C#N)c1 ZINC001237229732 779056464 /nfs/dbraw/zinc/05/64/64/779056464.db2.gz PADPSOBHNRDVTE-QGZVFWFLSA-N 0 1 267.376 2.708 20 30 CFEDMN C=C(C)CCN1CC(NC(=O)Cc2cc(C)ccc2C)C1 ZINC001030891979 779081159 /nfs/dbraw/zinc/08/11/59/779081159.db2.gz XPWFIBBGHUPNTG-UHFFFAOYSA-N 0 1 286.419 2.613 20 30 CFEDMN C[C@@H]1CC[C@H](CCC(=O)Nc2cc(C#N)ccc2O)O1 ZINC000176410102 779129241 /nfs/dbraw/zinc/12/92/41/779129241.db2.gz BMLTUJLBBGWVDK-ZYHUDNBSSA-N 0 1 274.320 2.550 20 30 CFEDMN CC(C)[N@H+]1CCC[C@@H](Oc2cc(O)cc(C#N)c2)C1 ZINC001234144374 779141569 /nfs/dbraw/zinc/14/15/69/779141569.db2.gz MTQXKMMHZXJDDD-CQSZACIVSA-N 0 1 260.337 2.515 20 30 CFEDMN N#C[C@H]1CCCN(Cc2ccnc(OC(F)F)c2)CC1 ZINC001237614893 779142784 /nfs/dbraw/zinc/14/27/84/779142784.db2.gz JMTMFBRNGDDLSY-NSHDSACASA-N 0 1 281.306 2.809 20 30 CFEDMN CN(CCc1cccs1)Cc1cn2cc(C#N)ccc2n1 ZINC001237612886 779143470 /nfs/dbraw/zinc/14/34/70/779143470.db2.gz DMYBUGZOPRVYEN-UHFFFAOYSA-N 0 1 296.399 2.942 20 30 CFEDMN C=C(C)C[N@H+]1CC[C@](C)(NC(=O)[C@@H]2CCC(F)(F)C2)C1 ZINC001046365803 779160410 /nfs/dbraw/zinc/16/04/10/779160410.db2.gz AEDZFHJNTLKBSR-OCCSQVGLSA-N 0 1 286.366 2.579 20 30 CFEDMN C=C1O[C@H](CC)C(=O)C1Oc1cc(OC)ncc1Cl ZINC001234218914 779160744 /nfs/dbraw/zinc/16/07/44/779160744.db2.gz ZMFUUTAAJMTPGW-SECBINFHSA-N 0 1 283.711 2.732 20 30 CFEDMN N#Cc1cc(Cl)cc(CN2CC[C@H]3OCC[C@H]3C2)c1 ZINC001237753967 779175591 /nfs/dbraw/zinc/17/55/91/779175591.db2.gz QVWNFMIXOLHJEV-DZGCQCFKSA-N 0 1 276.767 2.822 20 30 CFEDMN N#CCC1CN(Cc2cc(F)c(O)c(Cl)c2)C1 ZINC001237988710 779222920 /nfs/dbraw/zinc/22/29/20/779222920.db2.gz FQCZSKHJWYJYAW-UHFFFAOYSA-N 0 1 254.692 2.530 20 30 CFEDMN C[C@@H]1CCN(Cc2ccc(C#N)cc2Cl)CC[C@@H]1O ZINC001238080601 779248693 /nfs/dbraw/zinc/24/86/93/779248693.db2.gz SSIMNUAMEYDOAF-ABAIWWIYSA-N 0 1 278.783 2.804 20 30 CFEDMN N#CCCN(CCC#N)Cc1cc(Cl)c(O)cc1F ZINC001238149672 779263660 /nfs/dbraw/zinc/26/36/60/779263660.db2.gz LXYQZZPFNJPKHR-UHFFFAOYSA-N 0 1 281.718 2.814 20 30 CFEDMN C=CCC[C@H](CC)Oc1nc(F)nc2nc[nH]c21 ZINC001234694222 779266842 /nfs/dbraw/zinc/26/68/42/779266842.db2.gz YHYQBRQFJZNXOM-QMMMGPOBSA-N 0 1 250.277 2.616 20 30 CFEDMN N#Cc1cc(CN2CCC3(COC3)CC2)ccc1Cl ZINC001238195523 779276799 /nfs/dbraw/zinc/27/67/99/779276799.db2.gz FUSFKYBEWZUTHQ-UHFFFAOYSA-N 0 1 276.767 2.824 20 30 CFEDMN N#C[C@@H]1CCC[N@H+](Cc2ccc(F)cc2C(=O)[O-])CC1 ZINC001238236162 779287159 /nfs/dbraw/zinc/28/71/59/779287159.db2.gz QMGZXQFVXDNPNH-LLVKDONJSA-N 0 1 276.311 2.650 20 30 CFEDMN N#C[C@@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccc(F)cc1C(=O)[O-] ZINC001238234322 779287707 /nfs/dbraw/zinc/28/77/07/779287707.db2.gz ASBDXRTYKGVLTM-OJNYZHBWSA-N 0 1 288.322 2.790 20 30 CFEDMN C=C(C)CN1CC[C@@H]1CN(C)C(=O)C[C@@H](OCC)C(C)C ZINC001235259966 779334031 /nfs/dbraw/zinc/33/40/31/779334031.db2.gz FBRZCPNPJAGJKI-HZPDHXFCSA-N 0 1 296.455 2.546 20 30 CFEDMN C=CCN1CC[C@](C)(NC(=O)C23CC(C(C)(C)C)(C2)C3)C1 ZINC001046862649 779399181 /nfs/dbraw/zinc/39/91/81/779399181.db2.gz OMKXAKZYNXHNHV-AOCRQIFASA-N 0 1 290.451 2.969 20 30 CFEDMN C=C(C)CCN1CC(NC(=O)Cc2sc(C)cc2C)C1 ZINC001031326675 779427128 /nfs/dbraw/zinc/42/71/28/779427128.db2.gz ZKCWHCYTODADIE-UHFFFAOYSA-N 0 1 292.448 2.674 20 30 CFEDMN CC#CCN(C)Cc1ccccc1CNC(=O)C=C(C)C ZINC001272663173 779437377 /nfs/dbraw/zinc/43/73/77/779437377.db2.gz OOEBKHKNGKIZKX-UHFFFAOYSA-N 0 1 284.403 2.724 20 30 CFEDMN CCCCCCCCCCS(=O)(=O)N1CC[C@H]1NC ZINC001239120024 779462513 /nfs/dbraw/zinc/46/25/13/779462513.db2.gz QCYZNJIPTULZKC-AWEZNQCLSA-N 0 1 290.473 2.708 20 30 CFEDMN Cn1ccnc1[C@@H]1CCCN(Cc2cccc(C#N)c2F)C1 ZINC000444795773 779466502 /nfs/dbraw/zinc/46/65/02/779466502.db2.gz ARFLQJURRLOVGM-OAHLLOKOSA-N 0 1 298.365 2.810 20 30 CFEDMN CCCCCCC[C@H](C)NC(=O)N1CCNC2(CC2)C1 ZINC001239289317 779501938 /nfs/dbraw/zinc/50/19/38/779501938.db2.gz XVBWOHZWIJOLDY-AWEZNQCLSA-N 0 1 281.444 2.883 20 30 CFEDMN CCCCCCCOC(=O)NC1(C(F)(F)F)CNC1 ZINC001239321290 779513800 /nfs/dbraw/zinc/51/38/00/779513800.db2.gz NFZMZSSPQVJZTJ-UHFFFAOYSA-N 0 1 282.306 2.587 20 30 CFEDMN C=C(C)CN1CC(CNC(=O)C2=CCCCCC2)C1 ZINC001031631471 779515110 /nfs/dbraw/zinc/51/51/10/779515110.db2.gz RRMCMIHOVRKXHU-UHFFFAOYSA-N 0 1 262.397 2.501 20 30 CFEDMN C=C(C)CN1CC(CNC(=O)c2ccc([C@H]3C[C@@H]3C)o2)C1 ZINC001031665257 779522490 /nfs/dbraw/zinc/52/24/90/779522490.db2.gz XIDFCQUCSBSJTK-JSGCOSHPSA-N 0 1 288.391 2.641 20 30 CFEDMN C=CCN1CC(CNC(=O)c2cccc(C(F)F)c2F)C1 ZINC001031676272 779525967 /nfs/dbraw/zinc/52/59/67/779525967.db2.gz OYBFXPNYWFSRAP-UHFFFAOYSA-N 0 1 298.308 2.611 20 30 CFEDMN CCCCCCCCOC(=O)N1CC[C@H]2COC[C@@H](C1)N2 ZINC001239335939 779526038 /nfs/dbraw/zinc/52/60/38/779526038.db2.gz VWKISFLRFSCOOV-LSDHHAIUSA-N 0 1 298.427 2.546 20 30 CFEDMN C#CCN1CC(C)(C)CC[C@H]1CNC(=O)c1ccccc1 ZINC001089602187 779538700 /nfs/dbraw/zinc/53/87/00/779538700.db2.gz YNUIGPBXBJBOBT-INIZCTEOSA-N 0 1 284.403 2.540 20 30 CFEDMN CC#CCN1CC(C)(C)CC[C@H]1CNC(=O)c1ccoc1 ZINC001089605872 779542182 /nfs/dbraw/zinc/54/21/82/779542182.db2.gz QOMJAWOIIRMEBF-HNNXBMFYSA-N 0 1 288.391 2.523 20 30 CFEDMN C=CCN1CC(C)(C)CC[C@@H]1CNC(=O)c1coc(C)c1 ZINC001089630059 779549827 /nfs/dbraw/zinc/54/98/27/779549827.db2.gz AKWMAHBZUMVWMF-OAHLLOKOSA-N 0 1 290.407 2.994 20 30 CFEDMN C#CCN1CC(C)(C)CC[C@H]1CNC(=O)c1ccc(C)cc1 ZINC001089726295 779579511 /nfs/dbraw/zinc/57/95/11/779579511.db2.gz KPNSNDQFPKNFES-KRWDZBQOSA-N 0 1 298.430 2.849 20 30 CFEDMN C=CCN1CC(CNC(=O)c2cn(CC)c3ccccc23)C1 ZINC001031828924 779631546 /nfs/dbraw/zinc/63/15/46/779631546.db2.gz UKJVTPUBTLCAEG-UHFFFAOYSA-N 0 1 297.402 2.509 20 30 CFEDMN C=C(C)CN1CC(CNC(=O)[C@@H]2CCCC[C@H]2C2CC2)C1 ZINC001031873168 779655383 /nfs/dbraw/zinc/65/53/83/779655383.db2.gz NEQWXEKVUPOUSX-DLBZAZTESA-N 0 1 290.451 2.827 20 30 CFEDMN C=C(C)CN1CC(CNC(=O)[C@H]2CCCC[C@H]2C2CC2)C1 ZINC001031873170 779655811 /nfs/dbraw/zinc/65/58/11/779655811.db2.gz NEQWXEKVUPOUSX-IRXDYDNUSA-N 0 1 290.451 2.827 20 30 CFEDMN COc1ccc(-c2cc3[nH]cnc3c(C#N)n2)cc1OC ZINC001239613091 779660755 /nfs/dbraw/zinc/66/07/55/779660755.db2.gz BTGBJHPTVSCNKM-UHFFFAOYSA-N 0 1 280.287 2.514 20 30 CFEDMN C[C@@H]1CCN(Cc2cc(Cl)cc(C#N)c2)CC[C@H]1O ZINC001237746522 779716125 /nfs/dbraw/zinc/71/61/25/779716125.db2.gz NYYXAERGOVJJHH-IAQYHMDHSA-N 0 1 278.783 2.804 20 30 CFEDMN CC(C)O[C@H]1CCN(Cc2ccc(C#N)c(F)c2)C1 ZINC000701662021 779732988 /nfs/dbraw/zinc/73/29/88/779732988.db2.gz PZGWNXVMDZYCRJ-AWEZNQCLSA-N 0 1 262.328 2.697 20 30 CFEDMN C=C(C)CN1CC(CNC(=O)[C@H]2CC[C@H](CC)CC2)C1 ZINC001032139383 779744728 /nfs/dbraw/zinc/74/47/28/779744728.db2.gz GGSOZULPINUJQW-KOMQPUFPSA-N 0 1 278.440 2.827 20 30 CFEDMN C=CCN1CC(CNC(=O)c2cc(Cl)ccc2Cl)C1 ZINC001032148716 779746862 /nfs/dbraw/zinc/74/68/62/779746862.db2.gz DJVJQAMXJVNFKI-UHFFFAOYSA-N 0 1 299.201 2.841 20 30 CFEDMN C=C(C)CN1CC(CNC(=O)c2ccoc2C(C)C)C1 ZINC001032217279 779772500 /nfs/dbraw/zinc/77/25/00/779772500.db2.gz XPMOKBGOSISDDQ-UHFFFAOYSA-N 0 1 276.380 2.641 20 30 CFEDMN COc1ncccc1-c1nccc2[nH]cc(C#N)c21 ZINC001239856733 779824765 /nfs/dbraw/zinc/82/47/65/779824765.db2.gz GEXWCRLDHIFUNI-UHFFFAOYSA-N 0 1 250.261 2.505 20 30 CFEDMN COc1ccc([C@H](C)[C@@H](C)NCCC#N)cc1OC ZINC000355129862 779845369 /nfs/dbraw/zinc/84/53/69/779845369.db2.gz IXXLQNRBHSBXLD-VXGBXAGGSA-N 0 1 262.353 2.699 20 30 CFEDMN C=CCCN1CCO[C@](C)(CNC(=O)[C@H](C)CCCC)C1 ZINC001107911967 779937200 /nfs/dbraw/zinc/93/72/00/779937200.db2.gz CLIJJIYSMUPHKL-NVXWUHKLSA-N 0 1 296.455 2.596 20 30 CFEDMN C=CCCN1C[C@@H]2C[C@H]1CN2C(=O)c1cccc(F)c1C ZINC001032416061 779945267 /nfs/dbraw/zinc/94/52/67/779945267.db2.gz VQNKWEFVYGHHEU-KBPBESRZSA-N 0 1 288.366 2.609 20 30 CFEDMN C=CCCN1C[C@@H]2C[C@H]1CN2C(=O)c1sccc1Cl ZINC001032418329 779946769 /nfs/dbraw/zinc/94/67/69/779946769.db2.gz PGKQNNFJYXDVRY-QWRGUYRKSA-N 0 1 296.823 2.876 20 30 CFEDMN C=CCCN1C[C@@H]2C[C@H]1CN2C(=O)c1sc(C)cc1C ZINC001032426120 779953416 /nfs/dbraw/zinc/95/34/16/779953416.db2.gz XUTGWXANIMMHII-KBPBESRZSA-N 0 1 290.432 2.840 20 30 CFEDMN C=C(C)CN1CC[C@]2(CCCN2Cc2cc(C)ccn2)C1=O ZINC001272783228 779996833 /nfs/dbraw/zinc/99/68/33/779996833.db2.gz QAIDVUDVCYYWTF-GOSISDBHSA-N 0 1 299.418 2.533 20 30 CFEDMN C=CC(C)(C)C(=O)N1C[C@@H]2C[C@H]1C[N@@H+]2CC1CC(C)C1 ZINC001032561827 780037162 /nfs/dbraw/zinc/03/71/62/780037162.db2.gz CPHISZOEESSTBG-WUCCLRPBSA-N 0 1 276.424 2.530 20 30 CFEDMN COc1ccc([C@H]2C[C@H](N[C@@H](C)CC#N)CCO2)cc1 ZINC001168609472 780042136 /nfs/dbraw/zinc/04/21/36/780042136.db2.gz HIIVSRWCBADUJJ-JGGQBBKZSA-N 0 1 274.364 2.807 20 30 CFEDMN Cn1cc(-c2cc(/C=N/O)cc(C(F)(F)F)c2)cn1 ZINC001240296572 780053231 /nfs/dbraw/zinc/05/32/31/780053231.db2.gz MWAZCYBPJKHMLO-YAXRCOADSA-N 0 1 269.226 2.914 20 30 CFEDMN C=C(C)CN1C[C@@H]2C[C@H]1CN2C(=O)[C@@H]1CCC(C)(C)C1 ZINC001032613146 780072875 /nfs/dbraw/zinc/07/28/75/780072875.db2.gz MWIVRDPVKAHWGT-ILXRZTDVSA-N 0 1 276.424 2.674 20 30 CFEDMN C=C(C)C[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1cc[nH]c1C1CCC1 ZINC001032625769 780082882 /nfs/dbraw/zinc/08/28/82/780082882.db2.gz HCNVPEANCQZKHX-GJZGRUSLSA-N 0 1 299.418 2.757 20 30 CFEDMN C=C(C)CN1C[C@@H]2C[C@H]1CN2C(=O)c1cc[nH]c1C1CCC1 ZINC001032625769 780082888 /nfs/dbraw/zinc/08/28/88/780082888.db2.gz HCNVPEANCQZKHX-GJZGRUSLSA-N 0 1 299.418 2.757 20 30 CFEDMN C=C(C)CN1C[C@@H]2C[C@H]1CN2C(=O)c1cccc2cc[nH]c21 ZINC001032639442 780100513 /nfs/dbraw/zinc/10/05/13/780100513.db2.gz DWUGVOXHZQPSLM-GJZGRUSLSA-N 0 1 295.386 2.643 20 30 CFEDMN O=[N+]([O-])c1ccc(O)cc1C=NNCc1ccc(F)cc1 ZINC001116290205 780103475 /nfs/dbraw/zinc/10/34/75/780103475.db2.gz CNGSITCSRXNNPI-UHFFFAOYSA-N 0 1 289.266 2.563 20 30 CFEDMN C=CCCN1C[C@@H]2C[C@H]1CN2C(=O)c1ccsc1Cl ZINC001032666247 780124220 /nfs/dbraw/zinc/12/42/20/780124220.db2.gz GLHQWBRKMKAMRJ-QWRGUYRKSA-N 0 1 296.823 2.876 20 30 CFEDMN C=CCCN1C[C@@H]2C[C@H]1CN2C(=O)c1ccc(Cl)cc1 ZINC001032745126 780171323 /nfs/dbraw/zinc/17/13/23/780171323.db2.gz GSMJQZONHMOQKN-GJZGRUSLSA-N 0 1 290.794 2.815 20 30 CFEDMN C=CCCC(=O)NCc1cccc2c1CCN(CC=C)C2 ZINC001272908664 780208210 /nfs/dbraw/zinc/20/82/10/780208210.db2.gz AJDOEECASUSETC-UHFFFAOYSA-N 0 1 284.403 2.813 20 30 CFEDMN CCCCC(=O)C(C#N)C(=O)Nc1ccc(OC)cc1 ZINC000131742225 780242776 /nfs/dbraw/zinc/24/27/76/780242776.db2.gz LMDSKLGRSSNDHT-ZDUSSCGKSA-N 0 1 274.320 2.533 20 30 CFEDMN C=C(C)CN1C[C@@H]2C[C@H]1CN2C(=O)[C@@H](C)c1ccccc1C ZINC001032795303 780243453 /nfs/dbraw/zinc/24/34/53/780243453.db2.gz DHUBBPGRFVIOQS-ULQDDVLXSA-N 0 1 298.430 2.960 20 30 CFEDMN COc1cc(-c2nccc3[nH]cc(C#N)c32)cnc1OC ZINC001240619019 780296212 /nfs/dbraw/zinc/29/62/12/780296212.db2.gz OFSOOZPVUARRFY-UHFFFAOYSA-N 0 1 280.287 2.514 20 30 CFEDMN C=CC(C)(C)CC(=O)NCCNCc1cccc(F)c1F ZINC001128242454 780369099 /nfs/dbraw/zinc/36/90/99/780369099.db2.gz PFENWZCUAMSRCN-UHFFFAOYSA-N 0 1 296.361 2.773 20 30 CFEDMN C=C(C)CCN1CC(N(C)C(=O)[C@H]2C[C@@H]2C2CCCC2)C1 ZINC001044115660 780450121 /nfs/dbraw/zinc/45/01/21/780450121.db2.gz UTTJZMLHKDLYRH-SJORKVTESA-N 0 1 290.451 2.922 20 30 CFEDMN CN1CCN(c2ccc(-c3ccnc(CC#N)c3)cc2)CC1 ZINC001240854304 780479553 /nfs/dbraw/zinc/47/95/53/780479553.db2.gz GJYMVZPPBHLDFT-UHFFFAOYSA-N 0 1 292.386 2.566 20 30 CFEDMN CN1CCN(c2ccc(-c3ccccc3C=NO)cc2)CC1 ZINC001240854945 780479570 /nfs/dbraw/zinc/47/95/70/780479570.db2.gz PXOGFEDIBXRGQK-UHFFFAOYSA-N 0 1 295.386 2.914 20 30 CFEDMN C=CCN1CC[C@H](N(C)C(=O)C2=CCCCCC2)C1 ZINC001033034416 780537788 /nfs/dbraw/zinc/53/77/88/780537788.db2.gz ZJMBKIAVDRNBSK-HNNXBMFYSA-N 0 1 262.397 2.596 20 30 CFEDMN C=CCN1CC[C@@H](N(C)C(=O)[C@@H]2C[C@H]2CC(C)(C)C)C1 ZINC001033090819 780557997 /nfs/dbraw/zinc/55/79/97/780557997.db2.gz DZGXFEIIAGRDCD-RRFJBIMHSA-N 0 1 278.440 2.777 20 30 CFEDMN CC#CCN1CC[C@H](N(C)C(=O)c2csc(C)c2C)C1 ZINC001033106186 780564900 /nfs/dbraw/zinc/56/49/00/780564900.db2.gz DTOJUHMARGZASJ-AWEZNQCLSA-N 0 1 290.432 2.535 20 30 CFEDMN C=C(C)CN1CC[C@@H](N(C)C(=O)c2conc2C(C)C)C1 ZINC001033138795 780578974 /nfs/dbraw/zinc/57/89/74/780578974.db2.gz BSUGNIXXQALGAJ-CYBMUJFWSA-N 0 1 291.395 2.520 20 30 CFEDMN C=CCN1CC[C@H](N(C)C(=O)c2oc(C(F)F)cc2C)C1 ZINC001033166599 780588524 /nfs/dbraw/zinc/58/85/24/780588524.db2.gz UWJINWAWIKPHDL-NSHDSACASA-N 0 1 298.333 2.858 20 30 CFEDMN CCc1nnc(-c2ccccc2O)c(C#N)c1CC ZINC001241008621 780589237 /nfs/dbraw/zinc/58/92/37/780589237.db2.gz MMKKCXRNGJFDTG-UHFFFAOYSA-N 0 1 253.305 2.846 20 30 CFEDMN CSc1ncc(C#N)c(-c2ccc(C)cc2O)n1 ZINC001241031114 780604285 /nfs/dbraw/zinc/60/42/85/780604285.db2.gz YWJMWWUUIGTCGT-UHFFFAOYSA-N 0 1 257.318 2.751 20 30 CFEDMN C=CCN1CC[C@@H](N(C)C(=O)c2cccc3cccnc32)C1 ZINC001033231888 780624566 /nfs/dbraw/zinc/62/45/66/780624566.db2.gz ABCUSKYNPUMBKS-OAHLLOKOSA-N 0 1 295.386 2.567 20 30 CFEDMN CC#CCN1CC[C@H](N(C)C(=O)c2cc(C)sc2C)C1 ZINC001033240657 780628923 /nfs/dbraw/zinc/62/89/23/780628923.db2.gz NZHVJTJJGKRCQN-AWEZNQCLSA-N 0 1 290.432 2.535 20 30 CFEDMN C=C(C)CN1CC[C@H](N(C)C(=O)c2c(C)oc(C)c2C)C1 ZINC001033247089 780631943 /nfs/dbraw/zinc/63/19/43/780631943.db2.gz PFHBQJBKBRTDRG-HNNXBMFYSA-N 0 1 290.407 2.927 20 30 CFEDMN CC#CCN1CC[C@H](N(C)C(=O)c2ccccc2CCC)C1 ZINC001033253354 780632415 /nfs/dbraw/zinc/63/24/15/780632415.db2.gz KNROEONIVFNACZ-KRWDZBQOSA-N 0 1 298.430 2.809 20 30 CFEDMN COC(=O)c1ccc(-c2c(F)cc(O)cc2F)c(C#N)c1 ZINC001241122677 780652466 /nfs/dbraw/zinc/65/24/66/780652466.db2.gz UUUMKXIRMVRZAO-UHFFFAOYSA-N 0 1 289.237 2.996 20 30 CFEDMN C=C(C)CN1CC[C@@H](N(C)C(=O)c2coc(C(F)F)c2)C1 ZINC001033362960 780664205 /nfs/dbraw/zinc/66/42/05/780664205.db2.gz OGNPGBRJWKJBDP-GFCCVEGCSA-N 0 1 298.333 2.940 20 30 CFEDMN C#CCCN1CC[C@@H](N(C)C(=O)c2occc2C(C)C)C1 ZINC001033355581 780665996 /nfs/dbraw/zinc/66/59/96/780665996.db2.gz LOLWXJPEBNEJQI-CQSZACIVSA-N 0 1 288.391 2.573 20 30 CFEDMN C=CCN1CC[C@@H](N(C)C(=O)c2ccc(CCC)cc2)C1 ZINC001033370277 780668050 /nfs/dbraw/zinc/66/80/50/780668050.db2.gz OAXDDEQPYCMLNJ-QGZVFWFLSA-N 0 1 286.419 2.971 20 30 CFEDMN C=CCN1CC[C@H](N(C)C(=O)c2cccc(Cl)c2F)C1 ZINC001033386389 780673919 /nfs/dbraw/zinc/67/39/19/780673919.db2.gz UOQBLKIJGSVJGE-NSHDSACASA-N 0 1 296.773 2.811 20 30 CFEDMN C=CCN1CC[C@@H](N(C)C(=O)[C@H](C)c2ccsc2)C1 ZINC001033410873 780676253 /nfs/dbraw/zinc/67/62/53/780676253.db2.gz UMHIRZQEUBTTSG-TZMCWYRMSA-N 0 1 278.421 2.570 20 30 CFEDMN C=C1CC(C)(C(=O)N(C)[C@@H]2CCN(C[C@@H](F)CC)C2)C1 ZINC001033399615 780678019 /nfs/dbraw/zinc/67/80/19/780678019.db2.gz PKGXJBIHEVOHBT-UONOGXRCSA-N 0 1 282.403 2.624 20 30 CFEDMN C=CCN1CC[C@H](N(C)C(=O)c2ccc(C(C)C)cn2)C1 ZINC001033424045 780680389 /nfs/dbraw/zinc/68/03/89/780680389.db2.gz QMWKXEPQONDYDE-HNNXBMFYSA-N 0 1 287.407 2.537 20 30 CFEDMN C=CCN1CC[C@@H](N(C)C(=O)c2ccc(C(C)C)cn2)C1 ZINC001033424046 780680743 /nfs/dbraw/zinc/68/07/43/780680743.db2.gz QMWKXEPQONDYDE-OAHLLOKOSA-N 0 1 287.407 2.537 20 30 CFEDMN CC#CCN1CC[C@H](N(C)C(=O)[C@H](C)c2cccc(C)c2)C1 ZINC001033464643 780690011 /nfs/dbraw/zinc/69/00/11/780690011.db2.gz AYIYKEPUTHDXNL-AEFFLSMTSA-N 0 1 298.430 2.655 20 30 CFEDMN CN(C)Cc1cc(-c2ccnc(C#N)c2)ccc1F ZINC001241200054 780700760 /nfs/dbraw/zinc/70/07/60/780700760.db2.gz NFPDLJWCHVDITE-UHFFFAOYSA-N 0 1 255.296 2.821 20 30 CFEDMN C=CCN1CC[C@H](N(C)C(=O)c2sccc2C2CC2)C1 ZINC001033636253 780737830 /nfs/dbraw/zinc/73/78/30/780737830.db2.gz VRRGKCLLZVOYFV-ZDUSSCGKSA-N 0 1 290.432 2.958 20 30 CFEDMN N#Cc1c2c(cnc1-c1cc([O-])cc(F)c1)C[NH2+]CCC2 ZINC001241257625 780738728 /nfs/dbraw/zinc/73/87/28/780738728.db2.gz NKVHDXJGWPVSOL-UHFFFAOYSA-N 0 1 283.306 2.501 20 30 CFEDMN C=CCN1CC[C@H](N(C)C(=O)c2c(C)cc(C)cc2C)C1 ZINC001033641457 780740814 /nfs/dbraw/zinc/74/08/14/780740814.db2.gz DZVAPLRSNGYUJU-INIZCTEOSA-N 0 1 286.419 2.944 20 30 CFEDMN C=CCN1CC[C@H](N(C)C(=O)[C@@H]2CCCC(C)(C)C2)C1 ZINC001033694142 780750530 /nfs/dbraw/zinc/75/05/30/780750530.db2.gz JCLMRVKPSZHJLB-CABCVRRESA-N 0 1 278.440 2.922 20 30 CFEDMN N#Cc1cc(-c2c(F)ccc(O)c2F)cnc1F ZINC001241294179 780764076 /nfs/dbraw/zinc/76/40/76/780764076.db2.gz WXZDIABGFGDPER-UHFFFAOYSA-N 0 1 250.179 2.743 20 30 CFEDMN C=CC[N@@H+]1CC[C@@H](N(CC)C(=O)c2ccc(Cl)o2)C1 ZINC001033750968 780776786 /nfs/dbraw/zinc/77/67/86/780776786.db2.gz YYEVSIYWXHGABS-LLVKDONJSA-N 0 1 282.771 2.655 20 30 CFEDMN C=CCN1CC[C@@H](N(CC)C(=O)c2ccc(Cl)o2)C1 ZINC001033750968 780776790 /nfs/dbraw/zinc/77/67/90/780776790.db2.gz YYEVSIYWXHGABS-LLVKDONJSA-N 0 1 282.771 2.655 20 30 CFEDMN C=CCN1CC[C@@H](N(CC)C(=O)c2oc(C)cc2C)C1 ZINC001033780975 780784522 /nfs/dbraw/zinc/78/45/22/780784522.db2.gz PATHYIPWNVNVPN-CQSZACIVSA-N 0 1 276.380 2.619 20 30 CFEDMN C=CCN1CC[C@H](N(CC)C(=O)C2CC(C)(C)C2)C1 ZINC001033815685 780799318 /nfs/dbraw/zinc/79/93/18/780799318.db2.gz DQZUSVVJBVMTGE-AWEZNQCLSA-N 0 1 264.413 2.531 20 30 CFEDMN C=CCN1CC[C@@H](N(CC)C(=O)C2CC(C)(C)C2)C1 ZINC001033815686 780799400 /nfs/dbraw/zinc/79/94/00/780799400.db2.gz DQZUSVVJBVMTGE-CQSZACIVSA-N 0 1 264.413 2.531 20 30 CFEDMN C=C(C)CN1CC[C@@H](N(CC)C(=O)c2sccc2F)C1 ZINC001033821428 780800385 /nfs/dbraw/zinc/80/03/85/780800385.db2.gz RTTDLPBRUUKMGB-GFCCVEGCSA-N 0 1 296.411 3.000 20 30 CFEDMN C=CCN1CC[C@H](N(CC)C(=O)c2[nH]ccc2C2CC2)C1 ZINC001033858364 780809776 /nfs/dbraw/zinc/80/97/76/780809776.db2.gz UUZLJKBSKGWPQX-AWEZNQCLSA-N 0 1 287.407 2.615 20 30 CFEDMN COc1ncc(C)cc1-c1nccc2[nH]cc(C#N)c21 ZINC001241362359 780813498 /nfs/dbraw/zinc/81/34/98/780813498.db2.gz WWQZDCHGTSLJFS-UHFFFAOYSA-N 0 1 264.288 2.814 20 30 CFEDMN C=CCN1CC[C@@H](N(CC)C(=O)[C@@H]2CCC2(C)C)C1 ZINC001033927372 780827880 /nfs/dbraw/zinc/82/78/80/780827880.db2.gz OLYAMGNAHMTKEQ-KGLIPLIRSA-N 0 1 264.413 2.531 20 30 CFEDMN C=CCN1CC[C@H](N(CC)C(=O)c2ccn(CC)c2C)C1 ZINC001033932625 780829593 /nfs/dbraw/zinc/82/95/93/780829593.db2.gz QICBIERDGCKOOX-HNNXBMFYSA-N 0 1 289.423 2.539 20 30 CFEDMN C=C(C)C[N@@H+]1CC[C@@H](N(CC)C(=O)c2cc(C)co2)C1 ZINC001033930933 780829641 /nfs/dbraw/zinc/82/96/41/780829641.db2.gz AMRGAUAKVSTYAQ-CQSZACIVSA-N 0 1 276.380 2.701 20 30 CFEDMN C=C(C)CN1CC[C@@H](N(CC)C(=O)c2cc(C)co2)C1 ZINC001033930933 780829653 /nfs/dbraw/zinc/82/96/53/780829653.db2.gz AMRGAUAKVSTYAQ-CQSZACIVSA-N 0 1 276.380 2.701 20 30 CFEDMN C=C(C)C[N@@H+]1CC[C@@H](N(CC)C(=O)[C@H]2CC23CCC3)C1 ZINC001033971695 780844043 /nfs/dbraw/zinc/84/40/43/780844043.db2.gz KFWKMMRDJZZMHR-HUUCEWRRSA-N 0 1 276.424 2.676 20 30 CFEDMN Cc1cc(CNCc2ccc(C)c(C#N)c2)sn1 ZINC000701857377 780848700 /nfs/dbraw/zinc/84/87/00/780848700.db2.gz CKNBRKNGYNPMDN-UHFFFAOYSA-N 0 1 257.362 2.921 20 30 CFEDMN C=CCN1CC[C@@H](N(CC)C(=O)c2ccc(F)cc2F)C1 ZINC001034028533 780859090 /nfs/dbraw/zinc/85/90/90/780859090.db2.gz HMQJWSKZUFIXAR-CYBMUJFWSA-N 0 1 294.345 2.687 20 30 CFEDMN COc1cc(-c2cc3[nH]cnc3c(C#N)n2)ccc1F ZINC001241416365 780861971 /nfs/dbraw/zinc/86/19/71/780861971.db2.gz HKPTVJPHULDBJT-UHFFFAOYSA-N 0 1 268.251 2.644 20 30 CFEDMN CCOC(=O)c1cc2ccc(-c3ccc(C#N)nc3)[nH]c-2n1 ZINC001241421817 780866230 /nfs/dbraw/zinc/86/62/30/780866230.db2.gz WWNCDZCYNHVWKH-UHFFFAOYSA-N 0 1 292.298 2.673 20 30 CFEDMN C#C[C@H](NCc1csc(C(=O)OC)c1)C(C)(C)C ZINC000702228504 780901104 /nfs/dbraw/zinc/90/11/04/780901104.db2.gz OPJBIZBHGWFITD-LBPRGKRZSA-N 0 1 265.378 2.672 20 30 CFEDMN CC#CCN1CCCC[C@@H](NC(=O)C2CCCCCC2)C1 ZINC001034133637 780903842 /nfs/dbraw/zinc/90/38/42/780903842.db2.gz XZVOGXGXJGLFGI-QGZVFWFLSA-N 0 1 290.451 2.951 20 30 CFEDMN C#C[C@H](NCc1cc(OC)ccc1OC)C(C)(C)C ZINC000702292514 780904049 /nfs/dbraw/zinc/90/40/49/780904049.db2.gz QSOUZJJQVCBDNG-HNNXBMFYSA-N 0 1 261.365 2.841 20 30 CFEDMN C=CCN1CCCC[C@@H](NC(=O)c2oc(C)cc2C)C1 ZINC001034160741 780906820 /nfs/dbraw/zinc/90/68/20/780906820.db2.gz PYHNPBSOILBPLA-CQSZACIVSA-N 0 1 276.380 2.667 20 30 CFEDMN Cn1ncc2cccc(-c3nccc4[nH]cc(C#N)c43)c21 ZINC001241453532 780907046 /nfs/dbraw/zinc/90/70/46/780907046.db2.gz MZFJBNFEZVZFCC-UHFFFAOYSA-N 0 1 273.299 2.988 20 30 CFEDMN C=CCN1CCCC[C@@H](NC(=O)c2cc(C)c(C)o2)C1 ZINC001034164967 780913673 /nfs/dbraw/zinc/91/36/73/780913673.db2.gz KCKVUJDVOWVALW-CQSZACIVSA-N 0 1 276.380 2.667 20 30 CFEDMN C=CCN1CCCC[C@H](NC(=O)c2cccc(C)c2F)C1 ZINC001034225274 780929299 /nfs/dbraw/zinc/92/92/99/780929299.db2.gz HHJLULACAPXLFC-AWEZNQCLSA-N 0 1 290.382 2.904 20 30 CFEDMN CC#CCN1CCCC[C@@H](NC(=O)[C@H]2CCCC23CC3)C1 ZINC001034273998 780937094 /nfs/dbraw/zinc/93/70/94/780937094.db2.gz SQVQJZVJUSLJLH-HZPDHXFCSA-N 0 1 288.435 2.561 20 30 CFEDMN CC#CCN1CCCC[C@H](NC(=O)C2(C)CCCC2)C1 ZINC001034333207 780947076 /nfs/dbraw/zinc/94/70/76/780947076.db2.gz OVOXZUBMKRELNM-HNNXBMFYSA-N 0 1 276.424 2.561 20 30 CFEDMN Cc1cnc(C2=CCN(Cc3ccccc3)CC2)c(C#N)n1 ZINC001241502500 780947375 /nfs/dbraw/zinc/94/73/75/780947375.db2.gz KJVWDGPQQAUOSA-UHFFFAOYSA-N 0 1 290.370 2.946 20 30 CFEDMN C#CCCCNc1cc(OCC(F)(F)F)ccn1 ZINC001162446601 780957895 /nfs/dbraw/zinc/95/78/95/780957895.db2.gz KTCKNJXVQWPCDY-UHFFFAOYSA-N 0 1 258.243 2.848 20 30 CFEDMN C=CC[N@@H+]1CCCC[C@H](NC(=O)Cc2cccc(C)c2)C1 ZINC001034376297 780961539 /nfs/dbraw/zinc/96/15/39/780961539.db2.gz VEPKCAXGOLRNIN-KRWDZBQOSA-N 0 1 286.419 2.694 20 30 CFEDMN C#CCN1CCCC[C@@H](NC(=O)c2c(C)cccc2C)C1 ZINC001034416466 780971438 /nfs/dbraw/zinc/97/14/38/780971438.db2.gz BQCYKTYDEFICNK-MRXNPFEDSA-N 0 1 284.403 2.521 20 30 CFEDMN CC#CCN1CCCC[C@@H](NC(=O)[C@H]2CC23CCCC3)C1 ZINC001034477826 780981093 /nfs/dbraw/zinc/98/10/93/780981093.db2.gz QPKRJSFWJHQMSR-HZPDHXFCSA-N 0 1 288.435 2.561 20 30 CFEDMN CC#CCN1CCCC[C@H](NC(=O)[C@@H](C)c2ccccc2)C1 ZINC001034494298 780984266 /nfs/dbraw/zinc/98/42/66/780984266.db2.gz VALPEULJAMDBPG-WMZOPIPTSA-N 0 1 298.430 2.784 20 30 CFEDMN C#CCN1CCCC[C@@H](NC(=O)c2ccccc2Cl)C1 ZINC001034503101 780987210 /nfs/dbraw/zinc/98/72/10/780987210.db2.gz KSRGRKBVJYQQHU-CYBMUJFWSA-N 0 1 290.794 2.558 20 30 CFEDMN CN1CCC=C(c2cccc3sc(C#N)nc32)C1 ZINC001241571728 780988209 /nfs/dbraw/zinc/98/82/09/780988209.db2.gz FOTZGTQMVLECER-UHFFFAOYSA-N 0 1 255.346 2.887 20 30 CFEDMN CC#CCN1CCCC[C@@H](NC(=O)c2cccc(C)c2C)C1 ZINC001034517461 780989651 /nfs/dbraw/zinc/98/96/51/780989651.db2.gz YSWJLJVZEXSVIT-QGZVFWFLSA-N 0 1 298.430 2.911 20 30 CFEDMN C#CCN1CCCC[C@H](NC(=O)C2CCC(C)(C)CC2)C1 ZINC001034543347 780995414 /nfs/dbraw/zinc/99/54/14/780995414.db2.gz HNRZDFHPCLBDCV-INIZCTEOSA-N 0 1 290.451 2.807 20 30 CFEDMN C#CCN1CCCC[C@@H](NC(=O)[C@@H]2CCCC(C)(C)C2)C1 ZINC001034546872 780996667 /nfs/dbraw/zinc/99/66/67/780996667.db2.gz MWMFVSHNNLFCCG-HZPDHXFCSA-N 0 1 290.451 2.807 20 30 CFEDMN CSc1ncc(C#N)c(-c2ccc3c(C)[nH]nc3c2)n1 ZINC001241637081 781036145 /nfs/dbraw/zinc/03/61/45/781036145.db2.gz VFILVGSRPXYALR-UHFFFAOYSA-N 0 1 281.344 2.922 20 30 CFEDMN C=C(C)C[C@@H](C)C(=O)NC[C@@]1(C)CN(CCCC)CCO1 ZINC001108147601 781045413 /nfs/dbraw/zinc/04/54/13/781045413.db2.gz ANDQEGCDDITHOU-WBVHZDCISA-N 0 1 296.455 2.596 20 30 CFEDMN N#Cc1cc(Nc2cccc(O)c2F)c(O)cc1F ZINC001212552565 781049394 /nfs/dbraw/zinc/04/93/94/781049394.db2.gz YFVJTUNXXWPORV-UHFFFAOYSA-N 0 1 262.215 2.991 20 30 CFEDMN Cc1nc2c[nH]cc(-c3cc(F)cc(C#N)c3)c-2n1 ZINC001241658380 781051441 /nfs/dbraw/zinc/05/14/41/781051441.db2.gz BPDHKWQZWYRQQJ-UHFFFAOYSA-N 0 1 252.252 2.944 20 30 CFEDMN Cc1nc2c(cncc2-c2cc(F)cc(C#N)c2)[nH]1 ZINC001241658380 781051448 /nfs/dbraw/zinc/05/14/48/781051448.db2.gz BPDHKWQZWYRQQJ-UHFFFAOYSA-N 0 1 252.252 2.944 20 30 CFEDMN COc1cc(-c2cc(/C=N/O)ccc2F)c(F)cn1 ZINC001241663316 781056201 /nfs/dbraw/zinc/05/62/01/781056201.db2.gz FHRQSPDGOQPOGS-UBKPWBPPSA-N 0 1 264.231 2.844 20 30 CFEDMN COc1cc(C#N)cnc1-c1ccc2n[nH]c(C)c2c1 ZINC001241666394 781058995 /nfs/dbraw/zinc/05/89/95/781058995.db2.gz DRZANBVJFJNNJB-UHFFFAOYSA-N 0 1 264.288 2.814 20 30 CFEDMN Cc1[nH]nc2ccc(-c3ncc(F)cc3C#N)cc12 ZINC001241666413 781059137 /nfs/dbraw/zinc/05/91/37/781059137.db2.gz XSYZRAWKAGTWDW-UHFFFAOYSA-N 0 1 252.252 2.944 20 30 CFEDMN CC[C@H](C)C(=O)N1CCC[C@@H]1CNCc1ccccc1C#N ZINC001034862919 781083793 /nfs/dbraw/zinc/08/37/93/781083793.db2.gz MERKMSYBLPYDQC-WMLDXEAASA-N 0 1 299.418 2.685 20 30 CFEDMN N#CCc1cnc(F)c(-c2ccc3[nH]cnc3c2)c1 ZINC001241704873 781084299 /nfs/dbraw/zinc/08/42/99/781084299.db2.gz DTXBIHRCWCXJIQ-UHFFFAOYSA-N 0 1 252.252 2.830 20 30 CFEDMN C=C(Cl)CN1CCC2(C1)CCN(C(=O)[C@@H]1C[C@H]1C)CC2 ZINC001035155628 781118639 /nfs/dbraw/zinc/11/86/39/781118639.db2.gz BKIMEVYQSFIGIP-TZMCWYRMSA-N 0 1 296.842 2.709 20 30 CFEDMN N#C[C@H]1CN(Cc2ccc(C(F)F)cc2)CCC1=O ZINC001143252268 781140794 /nfs/dbraw/zinc/14/07/94/781140794.db2.gz XLGMZSCYANUFGJ-LBPRGKRZSA-N 0 1 264.275 2.539 20 30 CFEDMN C=CCN1CC2(C1)CCN(C(=O)[C@@]1(C)CC=CCC1)CC2 ZINC001035712647 781160035 /nfs/dbraw/zinc/16/00/35/781160035.db2.gz XQWKXVWPGDYEKF-KRWDZBQOSA-N 0 1 288.435 2.843 20 30 CFEDMN C=CCN1CC2(C1)CCN(C(=O)C[C@@H]1CC=CCC1)CC2 ZINC001035768226 781166770 /nfs/dbraw/zinc/16/67/70/781166770.db2.gz CNOFMVAXRDPNRF-MRXNPFEDSA-N 0 1 288.435 2.843 20 30 CFEDMN C=CCN1CC2(C1)CCN(C(=O)[C@@]1(C)CCC[C@@H]1C)CC2 ZINC001035786597 781168580 /nfs/dbraw/zinc/16/85/80/781168580.db2.gz AOZSMYLGBVOXQZ-RDJZCZTQSA-N 0 1 290.451 2.923 20 30 CFEDMN C=CCN1CC2(C1)CCN(C(=O)[C@]13C[C@H]1CCCC3)CC2 ZINC001035790660 781169927 /nfs/dbraw/zinc/16/99/27/781169927.db2.gz FXHMTRKOTSIVJH-CRAIPNDOSA-N 0 1 288.435 2.677 20 30 CFEDMN C#CCN1CC2(C1)CCN(C(=O)c1ccc(C=C)cc1)CC2 ZINC001035802795 781173412 /nfs/dbraw/zinc/17/34/12/781173412.db2.gz QIIXMHMABHYYEY-UHFFFAOYSA-N 0 1 294.398 2.501 20 30 CFEDMN C=CCN1CC2(C1)CCN(C(=O)C1(C)CC(F)(F)C1)CC2 ZINC001035833837 781175446 /nfs/dbraw/zinc/17/54/46/781175446.db2.gz WUIOVADJDWIVBC-UHFFFAOYSA-N 0 1 298.377 2.532 20 30 CFEDMN C=CCN1CC2(C1)CCN(C(=O)[C@@H](C)C1CCCC1)CC2 ZINC001035837774 781176864 /nfs/dbraw/zinc/17/68/64/781176864.db2.gz MJBCQWSVKODANK-HNNXBMFYSA-N 0 1 290.451 2.923 20 30 CFEDMN C#Cc1cccc(-c2cc(N3CCOCC3)ccn2)c1 ZINC001241917581 781180883 /nfs/dbraw/zinc/18/08/83/781180883.db2.gz SRPIFQMDLPKMHA-UHFFFAOYSA-N 0 1 264.328 2.567 20 30 CFEDMN COc1nc(C)c(-c2ccc3[nH]nnc3c2)c(C)c1C#N ZINC001241940287 781193175 /nfs/dbraw/zinc/19/31/75/781193175.db2.gz BFSTZFBVSIXADW-UHFFFAOYSA-N 0 1 279.303 2.517 20 30 CFEDMN COc1nc(C)c(-c2ccc3nn[nH]c3c2)c(C)c1C#N ZINC001241940287 781193179 /nfs/dbraw/zinc/19/31/79/781193179.db2.gz BFSTZFBVSIXADW-UHFFFAOYSA-N 0 1 279.303 2.517 20 30 CFEDMN CCOC(=O)c1ccc(C#N)c(-c2ccc3[nH]nnc3c2)c1 ZINC001241940351 781194677 /nfs/dbraw/zinc/19/46/77/781194677.db2.gz CHELKYFSLAFFBV-UHFFFAOYSA-N 0 1 292.298 2.673 20 30 CFEDMN CCOC(=O)c1ccc(C#N)c(-c2ccc3nn[nH]c3c2)c1 ZINC001241940351 781194680 /nfs/dbraw/zinc/19/46/80/781194680.db2.gz CHELKYFSLAFFBV-UHFFFAOYSA-N 0 1 292.298 2.673 20 30 CFEDMN N#CCc1ccc(F)c(-c2ccc3[nH]nnc3c2)c1 ZINC001241942895 781198932 /nfs/dbraw/zinc/19/89/32/781198932.db2.gz RMYGOGNNJLACIH-UHFFFAOYSA-N 0 1 252.252 2.830 20 30 CFEDMN N#CCc1ccc(F)c(-c2ccc3nn[nH]c3c2)c1 ZINC001241942895 781198934 /nfs/dbraw/zinc/19/89/34/781198934.db2.gz RMYGOGNNJLACIH-UHFFFAOYSA-N 0 1 252.252 2.830 20 30 CFEDMN O/N=C/c1cc(-c2ccnnc2)cc(C(F)(F)F)c1 ZINC001242061877 781255212 /nfs/dbraw/zinc/25/52/12/781255212.db2.gz WXFLJOIIFBANRZ-NGYBGAFCSA-N 0 1 267.210 2.971 20 30 CFEDMN C=C(Cl)CN1CC[C@@H]2CN(C(=O)C3CCCC3)CC[C@@H]21 ZINC001036620951 781303198 /nfs/dbraw/zinc/30/31/98/781303198.db2.gz MUFGTGALROQWIB-CABCVRRESA-N 0 1 296.842 2.852 20 30 CFEDMN C=C(Cl)CNC1(CNC(=O)C2(C)CC(=C)C2)CCC1 ZINC001273153908 781402021 /nfs/dbraw/zinc/40/20/21/781402021.db2.gz HCBMSFNWRPYXAB-UHFFFAOYSA-N 0 1 282.815 2.724 20 30 CFEDMN Cc1ccc(C#N)cc1-c1cccc(N2CCN(C)CC2)n1 ZINC001242540226 781580774 /nfs/dbraw/zinc/58/07/74/781580774.db2.gz LXJDFAIBWFVZHA-UHFFFAOYSA-N 0 1 292.386 2.681 20 30 CFEDMN Cc1ccc(C#N)cc1-c1cc2[nH]nnc2cc1F ZINC001242541363 781581027 /nfs/dbraw/zinc/58/10/27/781581027.db2.gz BLNMBAPPIJXQFM-UHFFFAOYSA-N 0 1 252.252 2.944 20 30 CFEDMN N#Cc1cc(-c2ncnc(-c3cccc(F)c3)n2)ccc1O ZINC001242562788 781601819 /nfs/dbraw/zinc/60/18/19/781601819.db2.gz IBTYKOTWSWCHEL-UHFFFAOYSA-N 0 1 292.273 2.922 20 30 CFEDMN COc1cc2[nH]cnc2cc1-c1ccc(O)c(C#N)c1 ZINC001242565024 781603707 /nfs/dbraw/zinc/60/37/07/781603707.db2.gz HLIRBZZCICGAFS-UHFFFAOYSA-N 0 1 265.272 2.816 20 30 CFEDMN CN1CCN(c2ccc(-c3ccc(F)cc3C#N)nc2)CC1 ZINC001242583565 781616621 /nfs/dbraw/zinc/61/66/21/781616621.db2.gz AQCLMGSAMZLTBM-UHFFFAOYSA-N 0 1 296.349 2.511 20 30 CFEDMN CC#CC[N@H+]1C[C@@H](C)[C@H](NC(=O)c2ccc(CCC)cc2)C1 ZINC001080354442 781654148 /nfs/dbraw/zinc/65/41/48/781654148.db2.gz RAEGOFTZVFGEPA-CRAIPNDOSA-N 0 1 298.430 2.713 20 30 CFEDMN CC#CCN1C[C@@H](C)[C@H](NC(=O)c2ccc(CCC)cc2)C1 ZINC001080354442 781654153 /nfs/dbraw/zinc/65/41/53/781654153.db2.gz RAEGOFTZVFGEPA-CRAIPNDOSA-N 0 1 298.430 2.713 20 30 CFEDMN C#CCN1C[C@@H](C)[C@H](NC(=O)C(C)(C)C2CCCCC2)C1 ZINC001080582521 781668916 /nfs/dbraw/zinc/66/89/16/781668916.db2.gz MTKOTNSQKVLIMA-GDBMZVCRSA-N 0 1 290.451 2.663 20 30 CFEDMN C=CCN1C[C@@H](C)[C@H](NC(=O)C2(C)C(C)(C)C2(C)C)C1 ZINC001081054989 781699383 /nfs/dbraw/zinc/69/93/83/781699383.db2.gz PAURZDIYQZVFJH-CHWSQXEVSA-N 0 1 278.440 2.681 20 30 CFEDMN COC(=O)c1cc2ccc(-c3ccccc3C#N)[nH]c-2n1 ZINC001242715293 781714631 /nfs/dbraw/zinc/71/46/31/781714631.db2.gz OEVJSWQDDMFOLR-UHFFFAOYSA-N 0 1 277.283 2.888 20 30 CFEDMN COC(=O)c1nc2ccc(-c3ccccc3C#N)cc2[nH]1 ZINC001242714469 781715256 /nfs/dbraw/zinc/71/52/56/781715256.db2.gz NISQGPJKOZGVMG-UHFFFAOYSA-N 0 1 277.283 2.888 20 30 CFEDMN C=C(Cl)CN[C@@H]1CN(C(=O)[C@]2(C)C[C@H]3C[C@H]3C2)C[C@H]1C ZINC001082660577 781737141 /nfs/dbraw/zinc/73/71/41/781737141.db2.gz HBUBAIZSZWBBRX-RSQMQNDGSA-N 0 1 296.842 2.612 20 30 CFEDMN C=C(C)CN1CC[C@@H]2CN(C(=O)c3ccsc3C)[C@@H]2C1 ZINC001084329786 781788432 /nfs/dbraw/zinc/78/84/32/781788432.db2.gz KDJRRBBEWBIDEK-UKRRQHHQSA-N 0 1 290.432 2.779 20 30 CFEDMN CCCn1nccc1-c1nccc2[nH]cc(C#N)c21 ZINC001242842936 781795226 /nfs/dbraw/zinc/79/52/26/781795226.db2.gz KCVUWZSSMCFBIJ-UHFFFAOYSA-N 0 1 251.293 2.708 20 30 CFEDMN C=CCN1CC[C@@H]2CN(C(=O)Cc3ccccc3CC)[C@@H]2C1 ZINC001084444350 781796421 /nfs/dbraw/zinc/79/64/21/781796421.db2.gz ULSKJXRGLQCZOH-QZTJIDSGSA-N 0 1 298.430 2.510 20 30 CFEDMN C=CCN1CC[C@@H]2CN(C(=O)CCc3cccc(C)c3)[C@@H]2C1 ZINC001084553778 781801654 /nfs/dbraw/zinc/80/16/54/781801654.db2.gz ZDSCNQIUILBLBV-QZTJIDSGSA-N 0 1 298.430 2.646 20 30 CFEDMN C=C[C@@](C)(CC)C(=O)N1C[C@H]2CCN(CC(=C)C)C[C@H]21 ZINC001084635370 781813781 /nfs/dbraw/zinc/81/37/81/781813781.db2.gz YBCVMFDSGQMUPD-INMHGKMJSA-N 0 1 276.424 2.698 20 30 CFEDMN C=CCN1CC[C@@H]2CN(C(=O)c3ccoc3CCC)[C@@H]2C1 ZINC001084774367 781832056 /nfs/dbraw/zinc/83/20/56/781832056.db2.gz JPLWCQLIBHGRJJ-UKRRQHHQSA-N 0 1 288.391 2.564 20 30 CFEDMN C=CCN1CC[C@@H]2CN(C(=O)C(C)(CC)CC)[C@@H]2C1 ZINC001084842070 781844795 /nfs/dbraw/zinc/84/47/95/781844795.db2.gz ZTKNTTUAFPTNQH-ZIAGYGMSSA-N 0 1 264.413 2.531 20 30 CFEDMN C=CCN1CC[C@@H]2CN(C(=O)c3ccc(C4CC4)cc3)[C@@H]2C1 ZINC001084845637 781848086 /nfs/dbraw/zinc/84/80/86/781848086.db2.gz ZTDJWAXABPAFAQ-QZTJIDSGSA-N 0 1 296.414 2.896 20 30 CFEDMN C=CCN1CC[C@@H]2CN(C(=O)c3coc4ccccc34)[C@@H]2C1 ZINC001084867284 781849100 /nfs/dbraw/zinc/84/91/00/781849100.db2.gz GFGNAMYXWSRYRR-CZUORRHYSA-N 0 1 296.370 2.765 20 30 CFEDMN C=CCN1CC(C)(C)CC[C@H]1CNC(=O)CSCCC ZINC001098926490 781855581 /nfs/dbraw/zinc/85/55/81/781855581.db2.gz AFGNNMGAECWLGJ-AWEZNQCLSA-N 0 1 298.496 2.922 20 30 CFEDMN N#CCC1(CSc2nc(-c3cccnc3)n[nH]2)CC1 ZINC000594885551 349493478 /nfs/dbraw/zinc/49/34/78/349493478.db2.gz HTCAXMHQGHZLJP-UHFFFAOYSA-N 0 1 271.349 2.653 20 30 CFEDMN Cn1ncc(C(F)(F)F)c1CNCc1cccc(C#N)c1 ZINC000594914686 349503695 /nfs/dbraw/zinc/50/36/95/349503695.db2.gz JEHJCPMCGPCZQZ-UHFFFAOYSA-N 0 1 294.280 2.600 20 30 CFEDMN C[C@@H](NCc1cnn2c1CCC2)c1ccc(C#N)cc1 ZINC000594915139 349505166 /nfs/dbraw/zinc/50/51/66/349505166.db2.gz OVPCSTUXXXFWKZ-GFCCVEGCSA-N 0 1 266.348 2.552 20 30 CFEDMN C=C(C)c1cccc(NC(=O)NC[C@H]2CCN2CC)c1 ZINC000934886403 649847597 /nfs/dbraw/zinc/84/75/97/649847597.db2.gz HZWVIJSYEROCJN-OAHLLOKOSA-N 0 1 273.380 2.935 20 30 CFEDMN CCc1nc(CNCCc2ccc(C#N)cc2)cs1 ZINC000594956122 349528095 /nfs/dbraw/zinc/52/80/95/349528095.db2.gz USNNFPVELCBVLL-UHFFFAOYSA-N 0 1 271.389 2.909 20 30 CFEDMN Cc1c[nH]nc1CNC(C)(C)c1cccc(C#N)c1 ZINC000594967881 349534133 /nfs/dbraw/zinc/53/41/33/349534133.db2.gz INUIQEFYJNEIDX-UHFFFAOYSA-N 0 1 254.337 2.615 20 30 CFEDMN C=CCOCCCNCc1ncc(CSC)s1 ZINC000594984411 349539154 /nfs/dbraw/zinc/53/91/54/349539154.db2.gz HUABLYIDNCSWHU-UHFFFAOYSA-N 0 1 272.439 2.688 20 30 CFEDMN CO[C@H](CN1CCC[C@](C)(C#N)C1)C1CCCC1 ZINC000595425084 349621421 /nfs/dbraw/zinc/62/14/21/349621421.db2.gz IYZGFILPGRAPSE-HUUCEWRRSA-N 0 1 250.386 2.817 20 30 CFEDMN N#Cc1ccc(CCN2CCc3ncsc3C2)cc1 ZINC000595451138 349630916 /nfs/dbraw/zinc/63/09/16/349630916.db2.gz RYLNPDGBHMIYKW-UHFFFAOYSA-N 0 1 269.373 2.616 20 30 CFEDMN CC[C@H]1CCN(Cc2nnc(-c3ccc(C#N)cc3)o2)C1 ZINC000125577576 187191657 /nfs/dbraw/zinc/19/16/57/187191657.db2.gz VDBVYPALALLOSE-LBPRGKRZSA-N 0 1 282.347 2.840 20 30 CFEDMN CC[C@]1(CO)CCCN(Cc2cc(C#N)cs2)C1 ZINC000190222749 529425068 /nfs/dbraw/zinc/42/50/68/529425068.db2.gz WTVUIESFNYRREU-AWEZNQCLSA-N 0 1 264.394 2.604 20 30 CFEDMN CC[C@@H]1CN(CCc2ccc(C#N)cc2)[C@H](C)CO1 ZINC000595561036 349659618 /nfs/dbraw/zinc/65/96/18/349659618.db2.gz YQLYLLDOBWLDHX-CZUORRHYSA-N 0 1 258.365 2.600 20 30 CFEDMN N#CC[C@@H]1CCCN(CCOc2cccc([N+](=O)[O-])c2)C1 ZINC000595612638 349676280 /nfs/dbraw/zinc/67/62/80/349676280.db2.gz YXLDBVLUKHPAJA-ZDUSSCGKSA-N 0 1 289.335 2.599 20 30 CFEDMN N#CC[C@H]1CCC[N@@H+](CCc2ccc(C#N)cc2)C1 ZINC000595618451 349678389 /nfs/dbraw/zinc/67/83/89/349678389.db2.gz YDVJBDRFCFXYQW-MRXNPFEDSA-N 0 1 253.349 2.726 20 30 CFEDMN COc1ncc(CNC(C)(C)c2cccc(C#N)c2)c(C)n1 ZINC000595632618 349683568 /nfs/dbraw/zinc/68/35/68/349683568.db2.gz HNPUOLSULDCCSY-UHFFFAOYSA-N 0 1 296.374 2.690 20 30 CFEDMN C=CC[C@@H]1CCCN(CC(=O)NC2(C#N)CCCCC2)C1 ZINC000595661320 349693799 /nfs/dbraw/zinc/69/37/99/349693799.db2.gz YNZRSGADOJMUFW-OAHLLOKOSA-N 0 1 289.423 2.617 20 30 CFEDMN N#CCCN[C@@]1(Cc2ccc(Cl)cc2)CCCOC1 ZINC000595670701 349695545 /nfs/dbraw/zinc/69/55/45/349695545.db2.gz JFMRJXONHXDJEA-OAHLLOKOSA-N 0 1 278.783 2.935 20 30 CFEDMN C[C@H](CO)[C@H]1CCCCN1Cc1cc(F)ccc1C#N ZINC000595671985 349695695 /nfs/dbraw/zinc/69/56/95/349695695.db2.gz GYENMARJRVLGRX-MLGOLLRUSA-N 0 1 276.355 2.680 20 30 CFEDMN COc1ccc(C[N@H+]2CCC[C@H](C)[C@H]2CCO)cc1C#N ZINC000595698651 349707769 /nfs/dbraw/zinc/70/77/69/349707769.db2.gz NLGQNFVOCPVGHS-XJKSGUPXSA-N 0 1 288.391 2.550 20 30 CFEDMN C[C@]12COC[C@H]1CN(Cc1ccc(C#N)cc1Cl)C2 ZINC000595755648 349724385 /nfs/dbraw/zinc/72/43/85/349724385.db2.gz CDNWDHDXQUJBBG-HIFRSBDPSA-N 0 1 276.767 2.680 20 30 CFEDMN N#Cc1ccc(CC[N@@H+]2CCCC[C@@H]2CCC(=O)[O-])cc1 ZINC000595878172 349760119 /nfs/dbraw/zinc/76/01/19/349760119.db2.gz LQFXVOLHCISRGB-MRXNPFEDSA-N 0 1 286.375 2.820 20 30 CFEDMN CCN(CCC#N)C(=O)CN[C@@]1(c2ccccc2)CC1(C)C ZINC000595909097 349766834 /nfs/dbraw/zinc/76/68/34/349766834.db2.gz MHHKANFOOSLYPE-GOSISDBHSA-N 0 1 299.418 2.664 20 30 CFEDMN C#CCN1CCC(NC(=O)Nc2cccc(C(=C)C)c2)CC1 ZINC000934887383 649847810 /nfs/dbraw/zinc/84/78/10/649847810.db2.gz SNQDQSRCIGETKN-UHFFFAOYSA-N 0 1 297.402 2.939 20 30 CFEDMN CCN(CCC(=O)Nc1cc(F)cc(F)c1)C[C@@H](C)C#N ZINC000072580270 346930886 /nfs/dbraw/zinc/93/08/86/346930886.db2.gz FZJIJICALFZPPN-NSHDSACASA-N 0 1 295.333 2.775 20 30 CFEDMN C=CCC(F)(F)C(=O)N[C@H](C)c1n[nH]c([C@@H](C)CC)n1 ZINC000295037365 199313559 /nfs/dbraw/zinc/31/35/59/199313559.db2.gz YALGHMQSDYOKSL-DTWKUNHWSA-N 0 1 286.326 2.707 20 30 CFEDMN CC1(C)CCC[N@@H+](CCN=c2[n-]c(C#N)c(Cl)s2)C1 ZINC000596213209 349828590 /nfs/dbraw/zinc/82/85/90/349828590.db2.gz WOYWUMWYWLCRRD-UHFFFAOYSA-N 0 1 298.843 2.624 20 30 CFEDMN CCC(CC)(CNc1nc(C#N)c(Cl)s1)OC ZINC000596241473 349837303 /nfs/dbraw/zinc/83/73/03/349837303.db2.gz FWTIHVOLXZQDTF-UHFFFAOYSA-N 0 1 273.789 2.707 20 30 CFEDMN N#Cc1cc(CN2CCC(CF)CC2)ccc1F ZINC000295076274 199332193 /nfs/dbraw/zinc/33/21/93/199332193.db2.gz DNJSPAWCXYEMPD-UHFFFAOYSA-N 0 1 250.292 2.879 20 30 CFEDMN N#Cc1nc(NC[C@H]2CCC3(CCCC3)O2)sc1Cl ZINC000596296065 349855642 /nfs/dbraw/zinc/85/56/42/349855642.db2.gz FWTMCSORRDPWMU-SECBINFHSA-N 0 1 297.811 2.994 20 30 CFEDMN CN(C)c1nc2ccc(NC(=O)[C@@H]3CCCCO3)cc2[nH]1 ZINC000329808060 282316834 /nfs/dbraw/zinc/31/68/34/282316834.db2.gz AKHFRSGPLFPSKG-ZDUSSCGKSA-N 0 1 288.351 2.786 20 30 CFEDMN CN(Cc1cnc2ccc(C#N)cn12)Cc1ccccc1 ZINC000154471313 530016228 /nfs/dbraw/zinc/01/62/28/530016228.db2.gz UGWGLHIIWGNJPT-UHFFFAOYSA-N 0 1 276.343 2.838 20 30 CFEDMN CN1CCC[C@H]1C(=O)N[C@@H](CCCC#N)c1ccccc1 ZINC000352181199 530062347 /nfs/dbraw/zinc/06/23/47/530062347.db2.gz ZYFHNHWDBKMHIC-HOTGVXAUSA-N 0 1 285.391 2.632 20 30 CFEDMN C[C@H](C1CC1)N(C)Cc1nnc(-c2cccc(C#N)c2)o1 ZINC000075614749 347087535 /nfs/dbraw/zinc/08/75/35/347087535.db2.gz ZZAFCRHEHXBYGU-LLVKDONJSA-N 0 1 282.347 2.839 20 30 CFEDMN C=CCN(CC=C)CCC(=O)c1ccc(OC)cc1 ZINC000005661460 346212387 /nfs/dbraw/zinc/21/23/87/346212387.db2.gz MNAYHVUMEFTUGG-UHFFFAOYSA-N 0 1 259.349 2.942 20 30 CFEDMN C=C(C)[C@@H](CO)N(C)Cc1csc(Br)c1 ZINC000677047966 539531797 /nfs/dbraw/zinc/53/17/97/539531797.db2.gz LXXYOOSAWYBIBS-SNVBAGLBSA-N 0 1 290.226 2.879 20 30 CFEDMN C[C@@H](CC(=O)NC1(C#N)CCN(C)CC1)CC(C)(C)C ZINC000040221957 346345386 /nfs/dbraw/zinc/34/53/86/346345386.db2.gz DKHDOGOKIGFBBB-ZDUSSCGKSA-N 0 1 279.428 2.553 20 30 CFEDMN CN(Cc1cccc(C#N)c1)C(=O)c1[nH]nc2ccccc21 ZINC000045246090 346405495 /nfs/dbraw/zinc/40/54/95/346405495.db2.gz DBUMWPISIPIAEH-UHFFFAOYSA-N 0 1 290.326 2.707 20 30 CFEDMN C=CCNC(=O)CN(Cc1cccc(Cl)c1)C(C)C ZINC000047958997 346461788 /nfs/dbraw/zinc/46/17/88/346461788.db2.gz UEFZRTUVWHWVCN-UHFFFAOYSA-N 0 1 280.799 2.853 20 30 CFEDMN CCN(CC(=O)N[C@](C)(C#N)C1CC1)Cc1ccccc1C ZINC000048059169 346465290 /nfs/dbraw/zinc/46/52/90/346465290.db2.gz YRPVAGXLPAJYSW-GOSISDBHSA-N 0 1 299.418 2.625 20 30 CFEDMN C=C(C)CN(CC)CC(=O)N(C)Cc1cccs1 ZINC000048617326 346475513 /nfs/dbraw/zinc/47/55/13/346475513.db2.gz QXLXQALFYDQVKT-UHFFFAOYSA-N 0 1 266.410 2.605 20 30 CFEDMN C[C@H]1CCCC[C@@H]1OCCN1CCC(C#N)CC1 ZINC000057875746 346639250 /nfs/dbraw/zinc/63/92/50/346639250.db2.gz VONNKDFXXZGFNF-ZFWWWQNUSA-N 0 1 250.386 2.817 20 30 CFEDMN COc1ccc(CN(C)Cc2ccc(C#N)cc2)cn1 ZINC000085786055 179170967 /nfs/dbraw/zinc/17/09/67/179170967.db2.gz GXNFMOJGSWKIMC-UHFFFAOYSA-N 0 1 267.332 2.594 20 30 CFEDMN C[C@H]1CN(Cc2ccccc2)CCN1c1ncccc1C#N ZINC000076691223 347148254 /nfs/dbraw/zinc/14/82/54/347148254.db2.gz NBNPACASQILPMF-HNNXBMFYSA-N 0 1 292.386 2.664 20 30 CFEDMN CCN(CCC#N)C(=O)CN1CCC[C@@H]1c1ccc(C)cc1 ZINC000076876799 347158604 /nfs/dbraw/zinc/15/86/04/347158604.db2.gz ZQFWSTMKWCAZIK-QGZVFWFLSA-N 0 1 299.418 2.894 20 30 CFEDMN C[C@@H](CC#N)Sc1ccccc1NC(=O)[C@H](C)N(C)C ZINC000078736298 347273068 /nfs/dbraw/zinc/27/30/68/347273068.db2.gz PNAUXSFJTAGCNH-RYUDHWBXSA-N 0 1 291.420 2.969 20 30 CFEDMN Cc1nnc(NC(=O)[C@@H]2SCCc3sccc32)[nH]1 ZINC000080023714 347337331 /nfs/dbraw/zinc/33/73/31/347337331.db2.gz RPGAJPKPMSPIRA-SECBINFHSA-N 0 1 280.378 2.793 20 30 CFEDMN Cc1n[nH]c(NC(=O)[C@@H]2SCCc3sccc32)n1 ZINC000080023714 347337334 /nfs/dbraw/zinc/33/73/34/347337334.db2.gz RPGAJPKPMSPIRA-SECBINFHSA-N 0 1 280.378 2.793 20 30 CFEDMN CCc1ncc(CNCc2ccc(OCC#N)cc2)s1 ZINC000084022260 347455470 /nfs/dbraw/zinc/45/54/70/347455470.db2.gz GMLBMEHNFYDYTJ-UHFFFAOYSA-N 0 1 287.388 2.898 20 30 CFEDMN C#CCN(Cc1ccccc1)C[C@@H](O)c1cccs1 ZINC000088604588 347506358 /nfs/dbraw/zinc/50/63/58/347506358.db2.gz FDTXMNTZTFYCFQ-OAHLLOKOSA-N 0 1 271.385 2.917 20 30 CFEDMN C[C@@H]1C[C@H](Nc2snc(Cl)c2C#N)CN1C1CC1 ZINC000092672281 347639390 /nfs/dbraw/zinc/63/93/90/347639390.db2.gz ZZGJLQWLILFKEU-SFYZADRCSA-N 0 1 282.800 2.705 20 30 CFEDMN C=CCN1CC[C@@H](Oc2ccc(C(F)(F)F)cn2)C1 ZINC000093319143 347669261 /nfs/dbraw/zinc/66/92/61/347669261.db2.gz OZKLHSYBMSQEFV-LLVKDONJSA-N 0 1 272.270 2.740 20 30 CFEDMN CC[N@H+]1CCN(c2c(C#N)cnc3ccccc32)C[C@@H]1C ZINC000110750671 347750050 /nfs/dbraw/zinc/75/00/50/347750050.db2.gz NRFOFHPMVILBPG-ZDUSSCGKSA-N 0 1 280.375 2.637 20 30 CFEDMN CCN1CCN(c2c(C#N)cnc3ccccc32)C[C@@H]1C ZINC000110750671 347750054 /nfs/dbraw/zinc/75/00/54/347750054.db2.gz NRFOFHPMVILBPG-ZDUSSCGKSA-N 0 1 280.375 2.637 20 30 CFEDMN CCOC(=O)CCN(Cc1ccc(C#N)s1)C1CC1 ZINC000120360243 347806392 /nfs/dbraw/zinc/80/63/92/347806392.db2.gz RAXWGDLYZQLAJO-UHFFFAOYSA-N 0 1 278.377 2.537 20 30 CFEDMN CCCn1nc(C)c(CN2CCC(C#N)CC2)c1C ZINC000123666844 347820193 /nfs/dbraw/zinc/82/01/93/347820193.db2.gz PPVWQUPGZMQMES-UHFFFAOYSA-N 0 1 260.385 2.646 20 30 CFEDMN C=CCNC(=O)CN1CCCC[C@@H]1c1ccc(C)cc1 ZINC000124537527 347825175 /nfs/dbraw/zinc/82/51/75/347825175.db2.gz SQCLMFAEVJMTQW-MRXNPFEDSA-N 0 1 272.392 2.824 20 30 CFEDMN CCOC1CCN(Cc2cc(C#N)ccc2OC)CC1 ZINC000130413072 347870483 /nfs/dbraw/zinc/87/04/83/347870483.db2.gz XOIUKZMORBBKEL-UHFFFAOYSA-N 0 1 274.364 2.568 20 30 CFEDMN COc1ccc(C#N)cc1CN1C[C@@H](C)S[C@H](C)C1 ZINC000130470909 347871155 /nfs/dbraw/zinc/87/11/55/347871155.db2.gz JXZODQLUBVFELU-VXGBXAGGSA-N 0 1 276.405 2.893 20 30 CFEDMN CCOC1CCN(Cc2ccc(C#N)c(OC)c2)CC1 ZINC000233784044 348217546 /nfs/dbraw/zinc/21/75/46/348217546.db2.gz JPTOERKHQRNJJA-UHFFFAOYSA-N 0 1 274.364 2.568 20 30 CFEDMN COC(=O)C[C@@H]1CCCCN1Cc1ccc(F)c(C#N)c1 ZINC000229749039 348202981 /nfs/dbraw/zinc/20/29/81/348202981.db2.gz WJIFDNMTKUIITR-AWEZNQCLSA-N 0 1 290.338 2.615 20 30 CFEDMN N#CCCCNCc1cscc1Br ZINC000285956170 348346184 /nfs/dbraw/zinc/34/61/84/348346184.db2.gz MYKWJZGDRKYTSU-UHFFFAOYSA-N 0 1 259.172 2.904 20 30 CFEDMN C=CCN(Cc1cc2c(c(OC)c1)OCO2)C1CC1 ZINC000273376037 192131439 /nfs/dbraw/zinc/13/14/39/192131439.db2.gz GAMDIAOQUTXUGJ-UHFFFAOYSA-N 0 1 261.321 2.574 20 30 CFEDMN CCCCCc1cc(C(=O)N(CC)C[C@@H](C)C#N)n[nH]1 ZINC000596822175 349993030 /nfs/dbraw/zinc/99/30/30/349993030.db2.gz FLXFMTVWEIBWSX-LBPRGKRZSA-N 0 1 276.384 2.764 20 30 CFEDMN CC(C)(C)[C@@H]1CCN(Cc2ccc(F)c(C#N)c2)C[C@@H]1O ZINC000273424466 192145133 /nfs/dbraw/zinc/14/51/33/192145133.db2.gz SKCCJBKRMKADFZ-ZBFHGGJFSA-N 0 1 290.382 2.926 20 30 CFEDMN CC(C)(C)[C@@H]1CCN(Cc2ccc(F)c(C#N)c2)C[C@H]1O ZINC000273424463 192145246 /nfs/dbraw/zinc/14/52/46/192145246.db2.gz SKCCJBKRMKADFZ-GDBMZVCRSA-N 0 1 290.382 2.926 20 30 CFEDMN COC(=O)[C@H]1CCCCCN1CCCC(C)(C)C#N ZINC000364695872 348510112 /nfs/dbraw/zinc/51/01/12/348510112.db2.gz OGAXMHHYFAKVMQ-CYBMUJFWSA-N 0 1 266.385 2.734 20 30 CFEDMN C=C(C)CN(C)Cc1nc2c(s1)CN(C(C)C)CC2 ZINC000368178622 348515810 /nfs/dbraw/zinc/51/58/10/348515810.db2.gz IOYOSHQEGSBGMK-UHFFFAOYSA-N 0 1 279.453 2.918 20 30 CFEDMN N#CC[C@H]1CCCN(C(=O)c2ccc(O)c(Cl)c2)C1 ZINC000397873304 348566009 /nfs/dbraw/zinc/56/60/09/348566009.db2.gz XYUYAFDEYIOSFI-SNVBAGLBSA-N 0 1 278.739 2.811 20 30 CFEDMN CCN(CCC#N)C(=O)c1cccc(Br)c1O ZINC000530753268 348648710 /nfs/dbraw/zinc/64/87/10/348648710.db2.gz DVKQDMLVDPPPPM-UHFFFAOYSA-N 0 1 297.152 2.530 20 30 CFEDMN N#CC1(CNC[C@@H](O)Cc2ccc3ccccc3c2)CC1 ZINC000564562292 348660862 /nfs/dbraw/zinc/66/08/62/348660862.db2.gz FFDKLPOYGQOGBL-KRWDZBQOSA-N 0 1 280.371 2.637 20 30 CFEDMN N#CC1(CNC[C@H](O)Cc2ccc3ccccc3c2)CC1 ZINC000564562298 348660880 /nfs/dbraw/zinc/66/08/80/348660880.db2.gz FFDKLPOYGQOGBL-QGZVFWFLSA-N 0 1 280.371 2.637 20 30 CFEDMN C=CCCCCCN1CC[S@@](=O)C(C)(C)CC1 ZINC000451754307 348622440 /nfs/dbraw/zinc/62/24/40/348622440.db2.gz ISIXRWOOCIJGIR-QGZVFWFLSA-N 0 1 257.443 2.966 20 30 CFEDMN C[C@@H](c1ccccc1)[C@H](CO)NCc1cccc(F)c1C#N ZINC000589990749 348868205 /nfs/dbraw/zinc/86/82/05/348868205.db2.gz ULGVNEVQOQCLHO-UGSOOPFHSA-N 0 1 298.361 2.952 20 30 CFEDMN COCC#CCN1CCC(Oc2cc(C)ccc2C)CC1 ZINC000677477885 539689697 /nfs/dbraw/zinc/68/96/97/539689697.db2.gz CNBRZLBTFHYOEY-UHFFFAOYSA-N 0 1 287.403 2.796 20 30 CFEDMN C[C@H](CC#N)N(C)C[C@@H]1CCCN(C(=O)C(C)(C)C)C1 ZINC000590602103 348914361 /nfs/dbraw/zinc/91/43/61/348914361.db2.gz FLYXJXHWYXHXSF-KGLIPLIRSA-N 0 1 279.428 2.505 20 30 CFEDMN CCN1CCN(c2nc3ccccc3c(C)c2C#N)C[C@H]1C ZINC000590695545 348929213 /nfs/dbraw/zinc/92/92/13/348929213.db2.gz BAVCMDCRMVXKEY-CYBMUJFWSA-N 0 1 294.402 2.945 20 30 CFEDMN CN(C)c1ccnc(NC(=O)[C@]2(C#N)CC23CCCC3)c1 ZINC000590704822 348931639 /nfs/dbraw/zinc/93/16/39/348931639.db2.gz SREQWTBNPNAOCS-MRXNPFEDSA-N 0 1 284.363 2.560 20 30 CFEDMN C[C@@H](NCc1cc(=O)[nH]c(C2CC2)n1)c1cccc(C#N)c1 ZINC000590956236 348971441 /nfs/dbraw/zinc/97/14/41/348971441.db2.gz YURXJBFOVQSBSX-LLVKDONJSA-N 0 1 294.358 2.782 20 30 CFEDMN C[C@@](O)(CNCc1ccc(C#N)c(Cl)c1)C(F)(F)F ZINC000591765697 349042620 /nfs/dbraw/zinc/04/26/20/349042620.db2.gz AINQKLQHQZDZLG-LLVKDONJSA-N 0 1 292.688 2.615 20 30 CFEDMN CCc1ncc(CN[C@H](C)c2cccc(C#N)c2)cn1 ZINC000591257526 349004217 /nfs/dbraw/zinc/00/42/17/349004217.db2.gz GYCQQXGYZUVCOO-GFCCVEGCSA-N 0 1 266.348 2.761 20 30 CFEDMN N#C[C@@H]1CC[C@H](NCc2cccc3c2OC(F)(F)O3)C1 ZINC000591260677 349004644 /nfs/dbraw/zinc/00/46/44/349004644.db2.gz BVRKESVAQBFNKW-KOLCDFICSA-N 0 1 280.274 2.790 20 30 CFEDMN C[C@H](NCc1ccncc1C#N)[C@H]1Oc2ccccc2[C@H]1C ZINC000592103303 349083664 /nfs/dbraw/zinc/08/36/64/349083664.db2.gz GCCILFBGDXPSMC-VBHSOAQHSA-N 0 1 293.370 2.996 20 30 CFEDMN CCC1(CC)[C@@H](NCc2ccncc2C#N)C[C@@H]1OC ZINC000592111915 349084155 /nfs/dbraw/zinc/08/41/55/349084155.db2.gz JWAJHHFIWFQZKU-GJZGRUSLSA-N 0 1 273.380 2.637 20 30 CFEDMN C[C@]12CN(Cc3ccncc3C#N)C[C@H]1[C@@H]1CC[C@H]2C1 ZINC000592124362 349086851 /nfs/dbraw/zinc/08/68/51/349086851.db2.gz DOGJMYAILGIJBD-ISWURRPUSA-N 0 1 267.376 2.821 20 30 CFEDMN C[C@@]12CN(Cc3ccncc3C#N)C[C@H]1[C@@H]1C=C[C@H]2C1 ZINC000592127144 349087918 /nfs/dbraw/zinc/08/79/18/349087918.db2.gz UNEDQNJKHSIUEP-ZCPGHIKRSA-N 0 1 265.360 2.597 20 30 CFEDMN CCN(CCSC)[C@H](C)C(=O)Nc1ccccc1C#N ZINC000592198903 349097932 /nfs/dbraw/zinc/09/79/32/349097932.db2.gz LXTOAKTZKCKZJJ-GFCCVEGCSA-N 0 1 291.420 2.570 20 30 CFEDMN CCN(CC)Cc1ccc(C(=O)Nc2cccc(C#N)n2)o1 ZINC000592661521 349147286 /nfs/dbraw/zinc/14/72/86/349147286.db2.gz BEOASMBFTVBORI-UHFFFAOYSA-N 0 1 298.346 2.640 20 30 CFEDMN CC(C)Cn1nccc1-c1nc2ccc(C#N)cc2[nH]1 ZINC000592443014 349119219 /nfs/dbraw/zinc/11/92/19/349119219.db2.gz ZYCHZSYWLFWAQN-UHFFFAOYSA-N 0 1 265.320 2.954 20 30 CFEDMN CC(C)COc1cccc(CN2CC[C@@](O)(CC#N)C2)c1 ZINC000592522750 349132754 /nfs/dbraw/zinc/13/27/54/349132754.db2.gz QWUHGYHENLJKJH-KRWDZBQOSA-N 0 1 288.391 2.572 20 30 CFEDMN CCSc1cccc(CN2CC[C@](O)(CC#N)C2)c1 ZINC000592522727 349132801 /nfs/dbraw/zinc/13/28/01/349132801.db2.gz QJKVRNZFIZVEMN-OAHLLOKOSA-N 0 1 276.405 2.649 20 30 CFEDMN Cc1c(C#N)c(=NC(=O)C(CC(C)C)CC(C)C)[nH]n1C ZINC000592649142 349145738 /nfs/dbraw/zinc/14/57/38/349145738.db2.gz JGGIXSOROWMCBT-UHFFFAOYSA-N 0 1 290.411 2.669 20 30 CFEDMN CC[C@@H](CC1CCCC1)C(=O)N=c1[nH]n(C)c(C)c1C#N ZINC000592648047 349145780 /nfs/dbraw/zinc/14/57/80/349145780.db2.gz YOKPUJIZKCWLPJ-ZDUSSCGKSA-N 0 1 288.395 2.567 20 30 CFEDMN Cn1cc(CN[C@H]2CCOc3ccc(F)cc32)cc1C#N ZINC000190989989 282645064 /nfs/dbraw/zinc/64/50/64/282645064.db2.gz IMPGJMOPHOZYNW-HNNXBMFYSA-N 0 1 285.322 2.649 20 30 CFEDMN CC[C@@H](OCCN1CC[C@](O)(CC#N)C1)c1ccccc1 ZINC000593035816 349191021 /nfs/dbraw/zinc/19/10/21/349191021.db2.gz SSBUSCRFQUXNGE-IAGOWNOFSA-N 0 1 288.391 2.505 20 30 CFEDMN CC[C@H](C#N)S(=O)(=O)Nc1cc(C(F)F)ccc1F ZINC000593216699 349229394 /nfs/dbraw/zinc/22/93/94/349229394.db2.gz BWFRXLPZWFPQOS-MRVPVSSYSA-N 0 1 292.282 2.807 20 30 CFEDMN C=CCC[C@H](O)CN1[C@H](C)CC[C@@H]1C(=O)OC(C)(C)C ZINC000593047723 349193575 /nfs/dbraw/zinc/19/35/75/349193575.db2.gz BJIUEHIXTGFRGO-HZSPNIEDSA-N 0 1 283.412 2.508 20 30 CFEDMN N#CCCCN1CCC2(CC1)C(F)(F)C2(F)F ZINC000593055255 349196004 /nfs/dbraw/zinc/19/60/04/349196004.db2.gz RUSXELZPTSPWHH-UHFFFAOYSA-N 0 1 250.239 2.657 20 30 CFEDMN C[C@H](CO)C1CCN(Cc2cccc(C#N)c2F)CC1 ZINC000593079824 349203337 /nfs/dbraw/zinc/20/33/37/349203337.db2.gz ASVPPDKEYBFEGU-GFCCVEGCSA-N 0 1 276.355 2.538 20 30 CFEDMN COc1cc(OC)c(CN[C@@H]2CC[C@H](C#N)C2)cc1F ZINC000593642561 349303236 /nfs/dbraw/zinc/30/32/36/349303236.db2.gz VKXPLGCTBRRIKR-CMPLNLGQSA-N 0 1 278.327 2.625 20 30 CFEDMN CC[C@@H](C#N)C(=O)N1CCN(Cc2ccccc2)CC[C@@H]1C ZINC000593500226 349285845 /nfs/dbraw/zinc/28/58/45/349285845.db2.gz MXENXOHKIAEXBA-RDJZCZTQSA-N 0 1 299.418 2.659 20 30 CFEDMN Cc1nccc(CNC2(c3ccc(C#N)cc3)CCC2)n1 ZINC000594033095 349358104 /nfs/dbraw/zinc/35/81/04/349358104.db2.gz HVDZEMGPRMZYPN-UHFFFAOYSA-N 0 1 278.359 2.826 20 30 CFEDMN Cc1ccc2nc(CNC(=O)CCCCC#N)[nH]c2c1 ZINC000593988852 349347008 /nfs/dbraw/zinc/34/70/08/349347008.db2.gz IZZOJLYSCIQCGI-UHFFFAOYSA-N 0 1 270.336 2.572 20 30 CFEDMN CCO[C@@H]1C[C@@H](NCC2(C#N)CCCC2)[C@@H]1SC ZINC000593654560 349304723 /nfs/dbraw/zinc/30/47/23/349304723.db2.gz IAOCSXPZBZPFNK-UPJWGTAASA-N 0 1 268.426 2.569 20 30 CFEDMN COc1cc(C[N@H+]2CC[C@]3(CC3(F)F)C2)ccc1C#N ZINC000593697579 349312472 /nfs/dbraw/zinc/31/24/72/349312472.db2.gz MMEBKLILVMUMMP-AWEZNQCLSA-N 0 1 278.302 2.798 20 30 CFEDMN C[C@H](Cn1cccn1)[NH+]=C([O-])N[C@@H]1CC[C@@H]2CCC[C@H]2C1 ZINC000329822101 539737191 /nfs/dbraw/zinc/73/71/91/539737191.db2.gz PWTLZCUPFKDZLP-CBBWQLFWSA-N 0 1 290.411 2.744 20 30 CFEDMN C[C@H](Cn1cccn1)NC([O-])=[NH+][C@@H]1CC[C@@H]2CCC[C@H]2C1 ZINC000329822101 539737196 /nfs/dbraw/zinc/73/71/96/539737196.db2.gz PWTLZCUPFKDZLP-CBBWQLFWSA-N 0 1 290.411 2.744 20 30 CFEDMN CCOC(=O)CCN(Cc1cc(C#N)ccc1F)C(C)C ZINC000594049663 349363774 /nfs/dbraw/zinc/36/37/74/349363774.db2.gz WDXOEWJWCBCSMI-UHFFFAOYSA-N 0 1 292.354 2.861 20 30 CFEDMN CC[C@H](C#N)N(C)C(=O)[C@H](c1ccccc1)N(CC)CC ZINC000594096258 349376220 /nfs/dbraw/zinc/37/62/20/349376220.db2.gz ABJXMKINLHFTPO-CVEARBPZSA-N 0 1 287.407 2.830 20 30 CFEDMN N#CC1(c2ccc(CN3CCOCC34CCC4)cc2)CC1 ZINC000597007832 350015365 /nfs/dbraw/zinc/01/53/65/350015365.db2.gz JDNJAQWJFHOJOB-UHFFFAOYSA-N 0 1 282.387 2.997 20 30 CFEDMN CCCCCc1cc(C(=O)N(CCC#N)C(C)C)n[nH]1 ZINC000597041169 350019791 /nfs/dbraw/zinc/01/97/91/350019791.db2.gz HLTHAGCEHOUTPW-UHFFFAOYSA-N 0 1 276.384 2.907 20 30 CFEDMN CC[C@@H](CC#N)N[C@H](C)COc1ccc(CCOC)cc1 ZINC000597086143 350028061 /nfs/dbraw/zinc/02/80/61/350028061.db2.gz ILEZCXFGTTWNFO-ZBFHGGJFSA-N 0 1 290.407 2.925 20 30 CFEDMN C=CCCCCCNC(=O)c1cc(O)cc([N+](=O)[O-])c1 ZINC000594403195 349414232 /nfs/dbraw/zinc/41/42/32/349414232.db2.gz NCMPIXJPNBVOEW-UHFFFAOYSA-N 0 1 278.308 2.777 20 30 CFEDMN C[C@H](c1cccc(C#N)c1)N(C)Cc1cnn2c1CCC2 ZINC000597161911 350042438 /nfs/dbraw/zinc/04/24/38/350042438.db2.gz SQBIAFUFTVCHEH-CYBMUJFWSA-N 0 1 280.375 2.894 20 30 CFEDMN N#CC[C@H]1CCCN(Cc2c[nH]nc2-c2cccnc2)C1 ZINC000597172459 350043205 /nfs/dbraw/zinc/04/32/05/350043205.db2.gz ACVGFWCJUFRSHG-CYBMUJFWSA-N 0 1 281.363 2.597 20 30 CFEDMN N#CC[C@H]1CCCN(Cc2cccc3c2OCCCO3)C1 ZINC000597172824 350043387 /nfs/dbraw/zinc/04/33/87/350043387.db2.gz FTHRWQVCYAOWTA-CQSZACIVSA-N 0 1 286.375 2.974 20 30 CFEDMN CCOc1cc(CN2CCC[C@@H](CC#N)C2)ccc1O ZINC000597177444 350045388 /nfs/dbraw/zinc/04/53/88/350045388.db2.gz MJBSGEYHYFVOJX-ZDUSSCGKSA-N 0 1 274.364 2.917 20 30 CFEDMN COCC1(C2CCC2)CN(Cc2ccc(C#N)cc2)C1 ZINC000597190251 350048504 /nfs/dbraw/zinc/04/85/04/350048504.db2.gz AAZFDWPDWXLPSQ-UHFFFAOYSA-N 0 1 270.376 2.807 20 30 CFEDMN N#Cc1ccc(CN2CCC([C@@H]3CCCCO3)CC2)o1 ZINC000597225574 350063078 /nfs/dbraw/zinc/06/30/78/350063078.db2.gz RKGLOCPQGPOHRV-INIZCTEOSA-N 0 1 274.364 2.932 20 30 CFEDMN N#C[C@@H]1CCC[C@H](N[C@H](CO)c2ccc(F)cc2F)C1 ZINC000597235178 350066371 /nfs/dbraw/zinc/06/63/71/350066371.db2.gz FLRIKEIMIIQZAM-IFUGULHKSA-N 0 1 280.318 2.670 20 30 CFEDMN Cc1cc(C[C@H](C)NC(=O)CC2(C#N)CCCCC2)n[nH]1 ZINC000597404583 350093952 /nfs/dbraw/zinc/09/39/52/350093952.db2.gz KNWQLWSWDGCMKT-LBPRGKRZSA-N 0 1 288.395 2.630 20 30 CFEDMN C[C@H](C#N)C(=O)N(C)[C@H](C)c1nc2ccc(Cl)cc2[nH]1 ZINC000597726968 350129056 /nfs/dbraw/zinc/12/90/56/350129056.db2.gz XTAFLMXFIHUXSP-RKDXNWHRSA-N 0 1 290.754 2.895 20 30 CFEDMN C#CCNC(=O)[C@H](C)N[C@H](CC)c1ccc(Cl)s1 ZINC000273489627 192172096 /nfs/dbraw/zinc/17/20/96/192172096.db2.gz KEQATADJLKTDSS-VHSXEESVSA-N 0 1 284.812 2.580 20 30 CFEDMN N#Cc1ccc(/C=C\c2nc(C3(N)CCCC3)no2)cc1 ZINC000414627127 233306765 /nfs/dbraw/zinc/30/67/65/233306765.db2.gz YYWMQTDPCPOGFI-FPLPWBNLSA-N 0 1 280.331 2.840 20 30 CFEDMN C[C@H](C#N)N(C(=O)c1cc(-c2ccc(F)cc2)[nH]n1)C1CC1 ZINC000598126241 350202380 /nfs/dbraw/zinc/20/23/80/350202380.db2.gz SPBVSUNOBNZZKQ-SNVBAGLBSA-N 0 1 298.321 2.732 20 30 CFEDMN C[C@@H](C#N)N(C(=O)c1cccc(C(F)(F)F)c1O)C1CC1 ZINC000598138194 350209050 /nfs/dbraw/zinc/20/90/50/350209050.db2.gz WRPVMHPVCPSRBM-QMMMGPOBSA-N 0 1 298.264 2.928 20 30 CFEDMN Cc1ccc(C#N)cc1NC(=O)N1CCN2CCCC[C@@H]2C1 ZINC000105024795 186038175 /nfs/dbraw/zinc/03/81/75/186038175.db2.gz NYXVWIHJNNSSGN-OAHLLOKOSA-N 0 1 298.390 2.569 20 30 CFEDMN C#CCCCCC(=O)NC[C@H](c1ccsc1)N(C)C ZINC000271340480 191083806 /nfs/dbraw/zinc/08/38/06/191083806.db2.gz CVYQKBMEJSEIOC-CQSZACIVSA-N 0 1 278.421 2.661 20 30 CFEDMN C[C@@]1(C#N)CCN(C(=O)C(C#N)CCc2ccccc2)C1 ZINC000598415703 350263354 /nfs/dbraw/zinc/26/33/54/350263354.db2.gz VDRODQTYATWCDR-RDJZCZTQSA-N 0 1 281.359 2.521 20 30 CFEDMN Cc1csc([C@H]2CCCN2C[C@H](O)CC(C)(C)C#N)n1 ZINC000598590132 350287230 /nfs/dbraw/zinc/28/72/30/350287230.db2.gz KRJOOQPIHPKVTB-CHWSQXEVSA-N 0 1 293.436 2.889 20 30 CFEDMN COCC#CCN1C[C@@H](C)C[C@H]1c1cccc(F)c1 ZINC000677819792 539794380 /nfs/dbraw/zinc/79/43/80/539794380.db2.gz AKWAOFYRPSWXGN-BBRMVZONSA-N 0 1 261.340 2.858 20 30 CFEDMN COc1cccc(F)c1[C@H](C)NC[C@@H](O)CC1(C#N)CC1 ZINC000599355913 350422051 /nfs/dbraw/zinc/42/20/51/350422051.db2.gz KBRDFWSEGXRKMJ-RYUDHWBXSA-N 0 1 292.354 2.540 20 30 CFEDMN Cc1ccc(CN2CC[N@@H+](C)[C@@H](C(C)C)C2)cc1C#N ZINC000599384259 350428267 /nfs/dbraw/zinc/42/82/67/350428267.db2.gz KATREIZLBQAHQN-QGZVFWFLSA-N 0 1 271.408 2.639 20 30 CFEDMN Cc1ccc(C[N@H+]2CCC23CCOCC3)cc1C#N ZINC000599386493 350428839 /nfs/dbraw/zinc/42/88/39/350428839.db2.gz WAZHUNWHEPMLQN-UHFFFAOYSA-N 0 1 256.349 2.622 20 30 CFEDMN Cc1ccc(CN2CC[C@H](OC(F)F)C2)cc1C#N ZINC000599403104 350431447 /nfs/dbraw/zinc/43/14/47/350431447.db2.gz MJZFBZTVXULLAP-ZDUSSCGKSA-N 0 1 266.291 2.680 20 30 CFEDMN N#CCCCN[C@@H]1Cc2ccccc2O[C@H]1C(F)(F)F ZINC000599544991 350454028 /nfs/dbraw/zinc/45/40/28/350454028.db2.gz PBVHHPZAAMYWHC-DGCLKSJQSA-N 0 1 284.281 2.814 20 30 CFEDMN CN(Cc1ccc(Cl)cc1C#N)CC1(C)COC1 ZINC000599571879 350458838 /nfs/dbraw/zinc/45/88/38/350458838.db2.gz WBQABCZUQIGGNE-UHFFFAOYSA-N 0 1 264.756 2.680 20 30 CFEDMN COC(=O)[C@@H]1CCN(Cc2ccccc2C#N)[C@@H]2CCC[C@@H]21 ZINC000599650497 350473240 /nfs/dbraw/zinc/47/32/40/350473240.db2.gz GOIQBNJEYZDRJH-BRWVUGGUSA-N 0 1 298.386 2.722 20 30 CFEDMN C=CCN(CC=C)Cc1c(C)[nH]c(C(=O)OCC)c1C ZINC000600106897 350509970 /nfs/dbraw/zinc/50/99/70/350509970.db2.gz MZWMDXWIPLGJFQ-UHFFFAOYSA-N 0 1 276.380 2.982 20 30 CFEDMN Cc1ncc(CN2CCCN(c3ccccc3C#N)CC2)o1 ZINC000600110417 350511258 /nfs/dbraw/zinc/51/12/58/350511258.db2.gz BIJPKCPZVYSUMQ-UHFFFAOYSA-N 0 1 296.374 2.567 20 30 CFEDMN Cc1ccc(C(C)(C)CNC[C@@H](C#N)CCC#N)nc1 ZINC000600612478 350580353 /nfs/dbraw/zinc/58/03/53/350580353.db2.gz YDLVXBADLZQSMA-CQSZACIVSA-N 0 1 270.380 2.701 20 30 CFEDMN Cc1ccc(C[N@@H+](CC(=O)[O-])CC(C)(C)C)cc1C#N ZINC000600710106 350599365 /nfs/dbraw/zinc/59/93/65/350599365.db2.gz SAGJXOQDVCBURO-UHFFFAOYSA-N 0 1 274.364 2.799 20 30 CFEDMN CN(CC(=O)N[C@@H](CCC#N)c1ccccc1)C1CCC1 ZINC000600820292 350617633 /nfs/dbraw/zinc/61/76/33/350617633.db2.gz FTEYSSDGRXDWPO-INIZCTEOSA-N 0 1 285.391 2.632 20 30 CFEDMN N#Cc1ccc(CN[C@@H]2CCCc3cc(N)ccc32)o1 ZINC000600769531 350607715 /nfs/dbraw/zinc/60/77/15/350607715.db2.gz NXBSIXJUJKFWAN-MRXNPFEDSA-N 0 1 267.332 2.901 20 30 CFEDMN C[C@@H]1CN(c2ncc(C#N)c3ccsc32)[C@H](C)CN1C ZINC000601137340 350679029 /nfs/dbraw/zinc/67/90/29/350679029.db2.gz WIVVPMIVEKEIIT-GHMZBOCLSA-N 0 1 286.404 2.697 20 30 CFEDMN Cc1nocc1CNCc1ccc(C2(C#N)CC2)cc1 ZINC000601141514 350680743 /nfs/dbraw/zinc/68/07/43/350680743.db2.gz FHAUEHXPAKXMSG-UHFFFAOYSA-N 0 1 267.332 2.828 20 30 CFEDMN Cc1cc(CN[C@H]2CCCn3nccc32)ccc1C#N ZINC000601174090 350688685 /nfs/dbraw/zinc/68/86/85/350688685.db2.gz OLKJXKMDZUBGGT-HNNXBMFYSA-N 0 1 266.348 2.688 20 30 CFEDMN Cc1[nH]n(CCc2ccccc2F)c(=O)c1CCC#N ZINC000601947352 350814232 /nfs/dbraw/zinc/81/42/32/350814232.db2.gz RICNTQDKOIFOQW-CYBMUJFWSA-N 0 1 273.311 2.506 20 30 CFEDMN CN(C(=O)c1cnc(-c2ccccc2)[nH]1)[C@@H]1CCC[C@@H]1C#N ZINC000601810975 350781366 /nfs/dbraw/zinc/78/13/66/350781366.db2.gz APRXWQCBKPNMCI-UKRRQHHQSA-N 0 1 294.358 2.841 20 30 CFEDMN C[C@@H](c1ccc(C#N)cc1)N1CCO[C@H](C(F)F)CC1 ZINC000601975290 350822396 /nfs/dbraw/zinc/82/23/96/350822396.db2.gz MXTLGJHQCVCGQK-FZMZJTMJSA-N 0 1 280.318 2.975 20 30 CFEDMN CN(C(=O)c1cc(-c2ccccc2)[nH]n1)[C@@H]1CCC[C@@H]1C#N ZINC000601823100 350786349 /nfs/dbraw/zinc/78/63/49/350786349.db2.gz WTPWNDZJOLAKIT-CZUORRHYSA-N 0 1 294.358 2.841 20 30 CFEDMN C[C@H](c1ccc(C#N)cc1)N1CCO[C@@H](C(F)F)CC1 ZINC000601975289 350822622 /nfs/dbraw/zinc/82/26/22/350822622.db2.gz MXTLGJHQCVCGQK-BXUZGUMPSA-N 0 1 280.318 2.975 20 30 CFEDMN C[C@H]1CCC2=NN(c3cccc(C#N)c3)C(=O)[C@H]2C1 ZINC000601933343 350807184 /nfs/dbraw/zinc/80/71/84/350807184.db2.gz XIWGEWZYBJQNFJ-GWCFXTLKSA-N 0 1 253.305 2.697 20 30 CFEDMN C[C@H]1CCc2[nH]n(-c3cccc(C#N)c3)c(=O)c2C1 ZINC000601933343 350807186 /nfs/dbraw/zinc/80/71/86/350807186.db2.gz XIWGEWZYBJQNFJ-GWCFXTLKSA-N 0 1 253.305 2.697 20 30 CFEDMN Cc1[nH]n(-c2cc([N+](=O)[O-])ccc2C)c(=O)c1CCC#N ZINC000601937143 350809207 /nfs/dbraw/zinc/80/92/07/350809207.db2.gz ZOABRBVQVUZHMJ-GFCCVEGCSA-N 0 1 286.291 2.546 20 30 CFEDMN CC(C)CC[C@@](C)(O)CNCc1cccc(F)c1C#N ZINC000602008910 350829563 /nfs/dbraw/zinc/82/95/63/350829563.db2.gz VURKPCPDIMYVQB-MRXNPFEDSA-N 0 1 278.371 2.974 20 30 CFEDMN N#Cc1c(F)cccc1CNCCc1cnc(C2CC2)nc1 ZINC000602016074 350832409 /nfs/dbraw/zinc/83/24/09/350832409.db2.gz TWJQNSTWBLMWGT-UHFFFAOYSA-N 0 1 296.349 2.697 20 30 CFEDMN CC(C)(CNCc1cccc(F)c1C#N)OCC1CC1 ZINC000602020660 350833973 /nfs/dbraw/zinc/83/39/73/350833973.db2.gz QUSOVUZIMVHAQP-UHFFFAOYSA-N 0 1 276.355 2.992 20 30 CFEDMN CC1(C)CCC[C@]1(O)CNCc1cccc(F)c1C#N ZINC000602025338 350835017 /nfs/dbraw/zinc/83/50/17/350835017.db2.gz QGTQYBBNSCVBAL-INIZCTEOSA-N 0 1 276.355 2.728 20 30 CFEDMN C[C@H](c1cccc(C#N)c1)N(C)C(=O)[C@@H]1CCCCN1C ZINC000602164763 350848502 /nfs/dbraw/zinc/84/85/02/350848502.db2.gz CWLGUFVKZNOXOV-CJNGLKHVSA-N 0 1 285.391 2.562 20 30 CFEDMN C[C@@H](NCc1cccc(C#N)n1)c1ccc2c(c1)OCCO2 ZINC000602503186 350907445 /nfs/dbraw/zinc/90/74/45/350907445.db2.gz OBWZCZWTWRJFJT-GFCCVEGCSA-N 0 1 295.342 2.575 20 30 CFEDMN COc1cccc([C@@H](C)NCc2cccc(C#N)n2)c1 ZINC000602522238 350914061 /nfs/dbraw/zinc/91/40/61/350914061.db2.gz SEOPEEODTMUISY-GFCCVEGCSA-N 0 1 267.332 2.813 20 30 CFEDMN C[C@H](CCC#N)CN[C@@H](CO)c1c(F)cccc1F ZINC000602548563 350921260 /nfs/dbraw/zinc/92/12/60/350921260.db2.gz ZPEGDTFXVXDUOH-MFKMUULPSA-N 0 1 268.307 2.528 20 30 CFEDMN CC[C@@](C)(C[N@@H+](CCOC)Cc1ccc(C#N)cc1)OC ZINC000602444034 350885970 /nfs/dbraw/zinc/88/59/70/350885970.db2.gz JBOZCCPIQVHHRK-KRWDZBQOSA-N 0 1 290.407 2.822 20 30 CFEDMN CCN(C[C@H](C)C#N)C[C@@H]1CCN(c2ccccc2)C1 ZINC000602448509 350887042 /nfs/dbraw/zinc/88/70/42/350887042.db2.gz VQOSBUCBMOXEFZ-CVEARBPZSA-N 0 1 271.408 2.994 20 30 CFEDMN C[C@@H](C#N)CN(C)C[C@@H]1CCN(c2ccccc2)C1 ZINC000602447229 350887447 /nfs/dbraw/zinc/88/74/47/350887447.db2.gz LSPDBYAKDYQLLR-GJZGRUSLSA-N 0 1 257.381 2.604 20 30 CFEDMN Cc1cnc(N2CCN(C[C@H](C)CCC#N)CC2)s1 ZINC000602474667 350896072 /nfs/dbraw/zinc/89/60/72/350896072.db2.gz RFASJAOFZVWPBT-GFCCVEGCSA-N 0 1 278.425 2.513 20 30 CFEDMN N#CC1CCC(NCc2nccc(C(F)F)n2)CC1 ZINC000602661813 350965693 /nfs/dbraw/zinc/96/56/93/350965693.db2.gz IVAVIRVPHVOCNV-UHFFFAOYSA-N 0 1 266.295 2.586 20 30 CFEDMN CCc1nc(C)c(CN[C@@H](C)CC2(C#N)CCOCC2)o1 ZINC000602668670 350968483 /nfs/dbraw/zinc/96/84/83/350968483.db2.gz DRUBCELJFXGWDT-LBPRGKRZSA-N 0 1 291.395 2.734 20 30 CFEDMN CN(C[C@H]1CCN(c2ccccc2)C1)CC(C)(C)C#N ZINC000602673060 350971667 /nfs/dbraw/zinc/97/16/67/350971667.db2.gz BVJJAPHNNBONHS-OAHLLOKOSA-N 0 1 271.408 2.994 20 30 CFEDMN CC(C)[C@@H]1N(Cc2cccc(C#N)n2)CC12CCC2 ZINC000602672939 350971819 /nfs/dbraw/zinc/97/18/19/350971819.db2.gz RZYSJWBUXDUATK-HNNXBMFYSA-N 0 1 255.365 2.964 20 30 CFEDMN C[C@H](CC1(C#N)CCOCC1)N[C@H]1C[C@@H](C)n2ccnc21 ZINC000602681732 350975909 /nfs/dbraw/zinc/97/59/09/350975909.db2.gz LEPHKJUWWROFHO-MCIONIFRSA-N 0 1 288.395 2.577 20 30 CFEDMN C[C@@H](CCC#N)CN1CCNC(=O)[C@@H]1CC1CCCCC1 ZINC000602697672 350984607 /nfs/dbraw/zinc/98/46/07/350984607.db2.gz KZRCONKIYOMCPG-HOCLYGCPSA-N 0 1 291.439 2.697 20 30 CFEDMN CC[C@@H](C)[C@H](CN1Cc2ccc(C#N)cc2C1)OC ZINC000602712947 350995086 /nfs/dbraw/zinc/99/50/86/350995086.db2.gz WRAIYGDGRYNIMC-WBMJQRKESA-N 0 1 258.365 2.935 20 30 CFEDMN N#Cc1csc(CN2CC[C@@H](OCc3ccccn3)C2)c1 ZINC000602717295 350997766 /nfs/dbraw/zinc/99/77/66/350997766.db2.gz ZLORSQUKEMNYSX-OAHLLOKOSA-N 0 1 299.399 2.806 20 30 CFEDMN C[C@H](C#N)CN[C@@H]1C[C@H](OC(C)(C)C)C12CCC2 ZINC000602608909 350944534 /nfs/dbraw/zinc/94/45/34/350944534.db2.gz ZCBMMBGYPNZCHS-UPJWGTAASA-N 0 1 250.386 2.862 20 30 CFEDMN C[C@H](CCC#N)CN1CCN([C@@H](C)c2nccs2)CC1 ZINC000602616955 350948306 /nfs/dbraw/zinc/94/83/06/350948306.db2.gz KURWRUYOQSPHOL-KGLIPLIRSA-N 0 1 292.452 2.762 20 30 CFEDMN CCC1(CC)CN(C[C@@H](C)CCC#N)CC[S@]1=O ZINC000602619519 350948806 /nfs/dbraw/zinc/94/88/06/350948806.db2.gz OMTVCMWSLZSNEK-SCLBCKFNSA-N 0 1 270.442 2.549 20 30 CFEDMN COc1ccc2c(c1)CN(CC1(CC#N)CC1)CC2 ZINC000602761960 351015809 /nfs/dbraw/zinc/01/58/09/351015809.db2.gz CSPGAPCWCJROAS-UHFFFAOYSA-N 0 1 256.349 2.747 20 30 CFEDMN CN(Cc1ccc2c(c1)OCCO2)CC1(CC#N)CC1 ZINC000602765689 351018184 /nfs/dbraw/zinc/01/81/84/351018184.db2.gz GHJCVBFLNVSZOW-UHFFFAOYSA-N 0 1 272.348 2.583 20 30 CFEDMN COC(=O)c1ccc(CN(C)CC2(CC#N)CC2)cc1 ZINC000602782626 351023269 /nfs/dbraw/zinc/02/32/69/351023269.db2.gz IPDOGGBZPWQTEZ-UHFFFAOYSA-N 0 1 272.348 2.599 20 30 CFEDMN CC(C)OC(=O)C[C@H]1CCC[N@@H+](CC2(CC#N)CC2)C1 ZINC000602811501 351034968 /nfs/dbraw/zinc/03/49/68/351034968.db2.gz SINPXMQNABNKRW-CQSZACIVSA-N 0 1 278.396 2.734 20 30 CFEDMN CC(C)OC(=O)C[C@@H]1CCC[N@@H+](CC2(CC#N)CC2)C1 ZINC000602811500 351034994 /nfs/dbraw/zinc/03/49/94/351034994.db2.gz SINPXMQNABNKRW-AWEZNQCLSA-N 0 1 278.396 2.734 20 30 CFEDMN C[C@](O)(C1CCN(CC2(CC#N)CC2)CC1)C(F)(F)F ZINC000602810732 351035206 /nfs/dbraw/zinc/03/52/06/351035206.db2.gz IDCZDGXNLVKPRR-LBPRGKRZSA-N 0 1 290.329 2.706 20 30 CFEDMN Cn1nccc1[C@H]1CCCCN1CC1(CC#N)CC1 ZINC000602823290 351037679 /nfs/dbraw/zinc/03/76/79/351037679.db2.gz CBNFFNMXPJCDMF-CQSZACIVSA-N 0 1 258.369 2.641 20 30 CFEDMN CC[C@@](C)(C(=O)OC)N(CC1CC1)CC1(CC#N)CC1 ZINC000602848972 351044140 /nfs/dbraw/zinc/04/41/40/351044140.db2.gz ZBWUQLUMVUFRBL-HNNXBMFYSA-N 0 1 278.396 2.734 20 30 CFEDMN CSc1ccccc1CN1C[C@H](C)N(CC#N)[C@@H](C)C1 ZINC000602853382 351046393 /nfs/dbraw/zinc/04/63/93/351046393.db2.gz IBPRHTVOPDCBDV-KBPBESRZSA-N 0 1 289.448 2.827 20 30 CFEDMN C[C@@H]1CN(CCSc2ccccc2)C[C@@H](C)N1CC#N ZINC000602857090 351046873 /nfs/dbraw/zinc/04/68/73/351046873.db2.gz OWILTONAJFLRTB-HUUCEWRRSA-N 0 1 289.448 2.697 20 30 CFEDMN C[C@@H]1CN([C@H]2CCc3ccc(F)cc32)C[C@H](C)N1CC#N ZINC000602858426 351047302 /nfs/dbraw/zinc/04/73/02/351047302.db2.gz AXOAPXMGDPAOLN-AHIWAGSCSA-N 0 1 287.382 2.731 20 30 CFEDMN C[C@@H]1CN(Cc2cnc3ccccc3c2)C[C@H](C)N1CC#N ZINC000602854696 351047573 /nfs/dbraw/zinc/04/75/73/351047573.db2.gz QFAOMISSQGYCCK-GASCZTMLSA-N 0 1 294.402 2.653 20 30 CFEDMN C[C@@H](CC#N)NCCC(=O)Nc1cccc(Cl)c1 ZINC000602859732 351048439 /nfs/dbraw/zinc/04/84/39/351048439.db2.gz AIMBMQUDLWBPHI-JTQLQIEISA-N 0 1 265.744 2.560 20 30 CFEDMN COc1ccc(NC(=O)CCN[C@H](C)CC#N)cc1Cl ZINC000602867089 351052134 /nfs/dbraw/zinc/05/21/34/351052134.db2.gz BHJBAUBDCKDQKB-SNVBAGLBSA-N 0 1 295.770 2.569 20 30 CFEDMN C[C@H](CC#N)NC[C@@H](O)Cc1ccc2ccccc2c1 ZINC000602871439 351054093 /nfs/dbraw/zinc/05/40/93/351054093.db2.gz RFLHKQFAVDWUQX-DYVFJYSZSA-N 0 1 268.360 2.635 20 30 CFEDMN CN(CCCC1(C#N)CCOCC1)Cc1ccns1 ZINC000602885649 351058346 /nfs/dbraw/zinc/05/83/46/351058346.db2.gz ZGWHXCGBSHVLPR-UHFFFAOYSA-N 0 1 279.409 2.675 20 30 CFEDMN Cc1oc2ccccc2c1CN1CCN(CCC#N)CC1 ZINC000602747871 351012812 /nfs/dbraw/zinc/01/28/12/351012812.db2.gz HLKPRYIZGYRRCL-UHFFFAOYSA-N 0 1 283.375 2.773 20 30 CFEDMN N#Cc1cc(F)cc(NC(=O)N[C@H]2CCCc3cn[nH]c32)c1 ZINC000603074411 351100533 /nfs/dbraw/zinc/10/05/33/351100533.db2.gz RCYARAROVHBJQA-ZDUSSCGKSA-N 0 1 299.309 2.620 20 30 CFEDMN C[C@H]1Cc2cn[nH]c2[C@H](C(=O)Nc2cc(F)cc(C#N)c2)C1 ZINC000603169085 351113954 /nfs/dbraw/zinc/11/39/54/351113954.db2.gz KSWARTHAOHSNHQ-LKFCYVNXSA-N 0 1 298.321 2.725 20 30 CFEDMN N#CCCCN1CCC(Oc2ccccc2F)CC1 ZINC000602944936 351071029 /nfs/dbraw/zinc/07/10/29/351071029.db2.gz WJJAFVLYBBLPPU-UHFFFAOYSA-N 0 1 262.328 2.973 20 30 CFEDMN CC(C)[C@@](C)(C#N)NC(=O)[C@@H](C)N1CCC(CCF)CC1 ZINC000602949552 351071921 /nfs/dbraw/zinc/07/19/21/351071921.db2.gz HMWMHPDLDLRSFO-CZUORRHYSA-N 0 1 297.418 2.501 20 30 CFEDMN CN(CCC(=O)N1CCc2ccccc21)[C@@H]1CCC[C@H]1C#N ZINC000602976135 351076379 /nfs/dbraw/zinc/07/63/79/351076379.db2.gz LHIIGONAHXWEMA-JKSUJKDBSA-N 0 1 297.402 2.590 20 30 CFEDMN COc1ccc(CCN(C)[C@@H]2CCC[C@@H]2C#N)cc1 ZINC000602975820 351076443 /nfs/dbraw/zinc/07/64/43/351076443.db2.gz HVBAOJNJOMGVAV-GDBMZVCRSA-N 0 1 258.365 2.862 20 30 CFEDMN CN(CCC(=O)Nc1cccc(F)c1)[C@H]1CCC[C@H]1C#N ZINC000602975875 351077141 /nfs/dbraw/zinc/07/71/41/351077141.db2.gz IFBWYQIXDZICTR-WFASDCNBSA-N 0 1 289.354 2.778 20 30 CFEDMN CN(C[C@H](O)CC1CCCC1)[C@@H]1CCC[C@@H]1C#N ZINC000602979740 351081432 /nfs/dbraw/zinc/08/14/32/351081432.db2.gz HSZNHWOABSNYLH-RBSFLKMASA-N 0 1 250.386 2.552 20 30 CFEDMN CO[C@H](Cc1ccccc1)CN(C)[C@H]1CCC[C@@H]1C#N ZINC000602981666 351083047 /nfs/dbraw/zinc/08/30/47/351083047.db2.gz HRTZFSGAGBQUPV-ZACQAIPSSA-N 0 1 272.392 2.868 20 30 CFEDMN CN(C[C@H](O)Cc1cccc(Cl)c1)[C@@H]1CCC[C@@H]1C#N ZINC000602981645 351083263 /nfs/dbraw/zinc/08/32/63/351083263.db2.gz HHPJRBFBVXNBMM-FVQBIDKESA-N 0 1 292.810 2.867 20 30 CFEDMN C[C@H](c1cccc(C#N)c1)N1C[C@@H](CO)[C@H](C(F)(F)F)C1 ZINC000602988552 351085905 /nfs/dbraw/zinc/08/59/05/351085905.db2.gz NQRLBXQUBWOKAY-DDTOSNHZSA-N 0 1 298.308 2.722 20 30 CFEDMN C[C@H](CN(C)[C@H](C(N)=O)c1ccc(C#N)cc1)C(C)(C)C ZINC000603056460 351096491 /nfs/dbraw/zinc/09/64/91/351096491.db2.gz SGDDNQREMZOGCF-DOMZBBRYSA-N 0 1 287.407 2.699 20 30 CFEDMN COCc1cc(C#N)ccc1NCc1n[nH]c(C(C)C)n1 ZINC000603386530 351152757 /nfs/dbraw/zinc/15/27/57/351152757.db2.gz JOFBEXYQFJTFHS-UHFFFAOYSA-N 0 1 285.351 2.558 20 30 CFEDMN Cc1[nH]n(-c2cccc(Cl)c2)c(=O)c1CCC#N ZINC000603923717 351191829 /nfs/dbraw/zinc/19/18/29/351191829.db2.gz MNSWVUBYDADADC-GFCCVEGCSA-N 0 1 261.712 2.982 20 30 CFEDMN CCOC(=O)CCN(Cc1ccc(C#N)cc1F)C1CC1 ZINC000604526628 351216970 /nfs/dbraw/zinc/21/69/70/351216970.db2.gz VCHOCWWGTDADHV-UHFFFAOYSA-N 0 1 290.338 2.615 20 30 CFEDMN C=CCN(CCc1ccccc1)C(=O)NCc1cc(C)[nH]n1 ZINC000606519403 351276740 /nfs/dbraw/zinc/27/67/40/351276740.db2.gz HVUPYOPCNBVZAK-UHFFFAOYSA-N 0 1 298.390 2.658 20 30 CFEDMN Cc1cc(CNC(=O)Nc2ccc(C#N)c(Cl)c2)n[nH]1 ZINC000609600491 351511187 /nfs/dbraw/zinc/51/11/87/351511187.db2.gz KMWANNCNAGIAPD-UHFFFAOYSA-N 0 1 289.726 2.565 20 30 CFEDMN Cc1cccc(C)c1CN1CCN([C@@H](C#N)C(C)C)CC1 ZINC000610001220 351530599 /nfs/dbraw/zinc/53/05/99/351530599.db2.gz ICUMMLQATHYUTH-SFHVURJKSA-N 0 1 285.435 2.969 20 30 CFEDMN Cc1cc(CNCc2cccc(OCCCC#N)c2)[nH]n1 ZINC000610009899 351531547 /nfs/dbraw/zinc/53/15/47/351531547.db2.gz BLRZDFZPEQMWON-UHFFFAOYSA-N 0 1 284.363 2.691 20 30 CFEDMN Cc1ccnc(NC(=O)C[N@@H+](C)CCCC(C)(C)C#N)c1 ZINC000610447709 351567165 /nfs/dbraw/zinc/56/71/65/351567165.db2.gz BNITWZSGGSYWJH-UHFFFAOYSA-N 0 1 288.395 2.590 20 30 CFEDMN Cc1ccnc(NC(=O)CN(C)CCCC(C)(C)C#N)c1 ZINC000610447709 351567168 /nfs/dbraw/zinc/56/71/68/351567168.db2.gz BNITWZSGGSYWJH-UHFFFAOYSA-N 0 1 288.395 2.590 20 30 CFEDMN N#Cc1ccc(CN2CC[C@@H](OCc3ccccn3)C2)cc1 ZINC000610765513 351605308 /nfs/dbraw/zinc/60/53/08/351605308.db2.gz ALAQFXUIDOZAEZ-GOSISDBHSA-N 0 1 293.370 2.744 20 30 CFEDMN CC(C)CCNC(=O)[C@H](C)N[C@@H](C)c1cccc(C#N)c1 ZINC000610346304 351556821 /nfs/dbraw/zinc/55/68/21/351556821.db2.gz SMNPNDZOMHZBDZ-KBPBESRZSA-N 0 1 287.407 2.760 20 30 CFEDMN CCCCCNC(=O)[C@H](C)N[C@H](C)c1cccc(C#N)c1 ZINC000610343554 351557192 /nfs/dbraw/zinc/55/71/92/351557192.db2.gz LBDSRZVFNBNYJU-KGLIPLIRSA-N 0 1 287.407 2.904 20 30 CFEDMN CC[C@H](C)NC(=O)[C@@H](C)N[C@@H](C)c1cccc(C#N)c1 ZINC000610346054 351557296 /nfs/dbraw/zinc/55/72/96/351557296.db2.gz JFNDFXPTXZDSLJ-RWMBFGLXSA-N 0 1 273.380 2.512 20 30 CFEDMN CN(C)c1ccc(CN(C)Cc2ccc(C#N)cc2)cn1 ZINC000611191246 351650981 /nfs/dbraw/zinc/65/09/81/351650981.db2.gz YJDDPWKJPMAUFG-UHFFFAOYSA-N 0 1 280.375 2.651 20 30 CFEDMN Cc1ccc(CN(C)CCOc2ccccc2C#N)nc1 ZINC000610953657 351624415 /nfs/dbraw/zinc/62/44/15/351624415.db2.gz CCVMMCSTVPIWTP-UHFFFAOYSA-N 0 1 281.359 2.773 20 30 CFEDMN C[C@@H](NCC(=O)N1CCCCCC1)c1cccc(C#N)c1 ZINC000611386243 351678056 /nfs/dbraw/zinc/67/80/56/351678056.db2.gz GVMXDKCRLVVGGJ-CQSZACIVSA-N 0 1 285.391 2.611 20 30 CFEDMN CC(C)(C#N)CCN1CC(c2nc3ccccc3[nH]2)C1 ZINC000611463065 351693246 /nfs/dbraw/zinc/69/32/46/351693246.db2.gz SCAXEMNLBDDVSP-UHFFFAOYSA-N 0 1 268.364 2.902 20 30 CFEDMN C[C@H](NCc1ccnc(C#N)c1)c1ccc([S@](C)=O)cc1 ZINC000611799171 351741619 /nfs/dbraw/zinc/74/16/19/351741619.db2.gz HUDOXBKTQSLKGD-QKVFXAPYSA-N 0 1 299.399 2.541 20 30 CFEDMN N#Cc1cccc(CN2CCC[C@@H](OC(F)F)C2)c1 ZINC000611579213 351710718 /nfs/dbraw/zinc/71/07/18/351710718.db2.gz SWMMBPGJRYAYGR-CYBMUJFWSA-N 0 1 266.291 2.762 20 30 CFEDMN N#Cc1ccccc1OCCN1CCC[C@@H](OC(F)F)C1 ZINC000611579575 351711579 /nfs/dbraw/zinc/71/15/79/351711579.db2.gz LMIYFKWBMXUQHW-CYBMUJFWSA-N 0 1 296.317 2.641 20 30 CFEDMN Cc1cc2c[nH]nc2c(C(=O)N2CCC[C@](C)(C#N)C2)c1 ZINC000612368881 351809405 /nfs/dbraw/zinc/80/94/05/351809405.db2.gz OIVWPXCFOVEUEL-MRXNPFEDSA-N 0 1 282.347 2.637 20 30 CFEDMN CCCN(Cc1ccc(C#N)cc1)C(=O)c1cc(CC)[nH]n1 ZINC000123120305 187071981 /nfs/dbraw/zinc/07/19/81/187071981.db2.gz ACMKYVHGCOHERL-UHFFFAOYSA-N 0 1 296.374 2.896 20 30 CFEDMN Cc1csc([C@@H](C)CNC[C@@H](C#N)CCC#N)n1 ZINC000612599704 351842042 /nfs/dbraw/zinc/84/20/42/351842042.db2.gz PQAHMWDDASXANJ-CMPLNLGQSA-N 0 1 262.382 2.588 20 30 CFEDMN C[C@@H](C(=O)NC1(C#N)CCC(C(C)(C)C)CC1)N(C)C ZINC000613628593 351989250 /nfs/dbraw/zinc/98/92/50/351989250.db2.gz IDGWBJUAENKRDQ-FUJMWEONSA-N 0 1 279.428 2.551 20 30 CFEDMN C=CCC1(C(=O)N2CCC3(CN(C)C3)C2)CCCCC1 ZINC000614035287 352039697 /nfs/dbraw/zinc/03/96/97/352039697.db2.gz ODSXQQQYISMDMF-UHFFFAOYSA-N 0 1 276.424 2.677 20 30 CFEDMN Cc1cc(C#N)ccc1CN1C[C@H](C)O[C@@H](C)[C@@H]1C ZINC000615000401 352140211 /nfs/dbraw/zinc/14/02/11/352140211.db2.gz YAFSOVAVRBGKKO-IHRRRGAJSA-N 0 1 258.365 2.864 20 30 CFEDMN C=CCC1(C(=O)NCc2ccc3nc[nH]c3c2)CCC1 ZINC000615791909 352242766 /nfs/dbraw/zinc/24/27/66/352242766.db2.gz GVVDJGSLQXBKMS-UHFFFAOYSA-N 0 1 269.348 2.926 20 30 CFEDMN C#CCOc1ccccc1CN[C@@H](C)c1cnc(C)nc1C ZINC000271492526 191171614 /nfs/dbraw/zinc/17/16/14/191171614.db2.gz PFCCNPVGZHHLOW-ZDUSSCGKSA-N 0 1 295.386 2.956 20 30 CFEDMN C=CCN(C(=O)c1cc(CCCCC)[nH]n1)[C@H](C)COC ZINC000617585000 352599063 /nfs/dbraw/zinc/59/90/63/352599063.db2.gz QJLCWMMZQTWFJE-CYBMUJFWSA-N 0 1 293.411 2.806 20 30 CFEDMN C=CCCNC(=O)[C@@H](c1ccccc1)N(CC)CC ZINC000617615680 352605108 /nfs/dbraw/zinc/60/51/08/352605108.db2.gz XGFKIUIKZGPNIQ-OAHLLOKOSA-N 0 1 260.381 2.762 20 30 CFEDMN N#C[C@H]1CCC[C@@H](NCc2nnc(-c3ccc(F)cc3)[nH]2)C1 ZINC000618571874 352814714 /nfs/dbraw/zinc/81/47/14/352814714.db2.gz IXWYDOHLWQBVOP-SMDDNHRTSA-N 0 1 299.353 2.783 20 30 CFEDMN C[C@@H]1CCCC[C@@H]1NC(=O)CN1CCC(CCC#N)CC1 ZINC000573917570 334976876 /nfs/dbraw/zinc/97/68/76/334976876.db2.gz YNGDTMXLIVRGTD-ZBFHGGJFSA-N 0 1 291.439 2.697 20 30 CFEDMN N#Cc1ccc2c(c1)CC[C@@H]2NCc1cn2ccccc2n1 ZINC000618741145 352875941 /nfs/dbraw/zinc/87/59/41/352875941.db2.gz AOXJGXHZAWBVMG-KRWDZBQOSA-N 0 1 288.354 2.983 20 30 CFEDMN N#Cc1ccc(CN[C@H]2CCc3cc(C#N)ccc32)o1 ZINC000618742322 352876047 /nfs/dbraw/zinc/87/60/47/352876047.db2.gz WHUCVZZTZDFGQB-INIZCTEOSA-N 0 1 263.300 2.800 20 30 CFEDMN Cc1ccc(C(=O)N2CCN(C[C@H](C)CCC#N)CC2)cc1 ZINC000618888490 352905839 /nfs/dbraw/zinc/90/58/39/352905839.db2.gz ZPKNZHBRMDIPOU-MRXNPFEDSA-N 0 1 299.418 2.693 20 30 CFEDMN Cc1nccnc1[C@H](C)N[C@H]1CCc2cc(C#N)ccc21 ZINC000618805671 352884183 /nfs/dbraw/zinc/88/41/83/352884183.db2.gz OYJOVZRRLJKHTD-LRDDRELGSA-N 0 1 278.359 2.995 20 30 CFEDMN Cc1cc(C#N)ccc1CN1C[C@@H](C)O[C@H](C2CC2)C1 ZINC000619283090 352989728 /nfs/dbraw/zinc/98/97/28/352989728.db2.gz KUUNJKOVTCRZOM-DYVFJYSZSA-N 0 1 270.376 2.866 20 30 CFEDMN Cc1cc(C#N)ccc1CN1C[C@@H](C2CC2)O[C@@H](C)C1 ZINC000619283091 352990115 /nfs/dbraw/zinc/99/01/15/352990115.db2.gz KUUNJKOVTCRZOM-GUYCJALGSA-N 0 1 270.376 2.866 20 30 CFEDMN Cc1cscc1NS(=O)(=O)c1cccc(CC#N)c1 ZINC000619463471 353026966 /nfs/dbraw/zinc/02/69/66/353026966.db2.gz FIUIJWLYRMPOBV-UHFFFAOYSA-N 0 1 292.385 2.923 20 30 CFEDMN N#Cc1ccc(CN2CC(C3CCOCC3)C2)c(F)c1 ZINC000619726634 353060757 /nfs/dbraw/zinc/06/07/57/353060757.db2.gz XQNRHFBYPIUHLS-UHFFFAOYSA-N 0 1 274.339 2.556 20 30 CFEDMN Cc1csc(C(C#N)C(=O)c2ccc3[nH]c(=O)oc3c2)n1 ZINC000619752467 353063525 /nfs/dbraw/zinc/06/35/25/353063525.db2.gz YVBUVAPKDWCRGJ-SECBINFHSA-N 0 1 299.311 2.788 20 30 CFEDMN N#C[C@@H](c1ccc(Cl)cc1)N1CCN(CC2CC2)CC1 ZINC000619784758 353066703 /nfs/dbraw/zinc/06/67/03/353066703.db2.gz PLYJGFCXRQVWNZ-INIZCTEOSA-N 0 1 289.810 2.932 20 30 CFEDMN C=C(Cl)CN1CCC[C@@H](c2nc(C3CC3)n[nH]2)C1 ZINC000152205605 188002036 /nfs/dbraw/zinc/00/20/36/188002036.db2.gz ZIDCMSRJKDYEPW-LLVKDONJSA-N 0 1 266.776 2.614 20 30 CFEDMN C=C(Cl)CN1CCC[C@@H](c2n[nH]c(C3CC3)n2)C1 ZINC000152205605 188002037 /nfs/dbraw/zinc/00/20/37/188002037.db2.gz ZIDCMSRJKDYEPW-LLVKDONJSA-N 0 1 266.776 2.614 20 30 CFEDMN C=C1C[C@H]2CC[C@@H](C1)N2C(=O)c1cccc2n[nH]cc21 ZINC000620314765 353150800 /nfs/dbraw/zinc/15/08/00/353150800.db2.gz PXMBNSQTGGQPOC-TXEJJXNPSA-N 0 1 267.332 2.886 20 30 CFEDMN N#Cc1cccc(C(=O)N2CCN(C3CCCCC3)CC2)c1 ZINC000154966452 188173751 /nfs/dbraw/zinc/17/37/51/188173751.db2.gz GSDHDDCNXIISKZ-UHFFFAOYSA-N 0 1 297.402 2.649 20 30 CFEDMN C=CCC(C)(C)C(=O)NC[C@H]1CCN1Cc1ccccc1 ZINC000620777403 353230841 /nfs/dbraw/zinc/23/08/41/353230841.db2.gz DWVJVAJUCPJUPD-MRXNPFEDSA-N 0 1 286.419 2.979 20 30 CFEDMN C=C(C)CN(CC)[C@H](C)C(=O)Nc1ccc(OC)cc1 ZINC000155133376 188185962 /nfs/dbraw/zinc/18/59/62/188185962.db2.gz FOYLYZCMFRKGJP-CYBMUJFWSA-N 0 1 276.380 2.920 20 30 CFEDMN C=C(C)CN(CC)[C@H](C)C(=O)NCc1cccs1 ZINC000155142326 188186437 /nfs/dbraw/zinc/18/64/37/188186437.db2.gz KABXFXFSJPOLKU-GFCCVEGCSA-N 0 1 266.410 2.651 20 30 CFEDMN C=CCCC(C)(C)NC(=O)[C@@H]1CCCc2[nH]ncc21 ZINC000620858972 353242519 /nfs/dbraw/zinc/24/25/19/353242519.db2.gz TZSZNMFVXDSVOO-LLVKDONJSA-N 0 1 261.369 2.691 20 30 CFEDMN C=CCC(CC=C)C(=O)NCCCc1cn[nH]c1C ZINC000156060590 188241138 /nfs/dbraw/zinc/24/11/38/188241138.db2.gz IGMIKZDTUOUQAB-UHFFFAOYSA-N 0 1 261.369 2.535 20 30 CFEDMN C#CCOCSc1nc(CCC2CCCC2)n[nH]1 ZINC000292681670 198374670 /nfs/dbraw/zinc/37/46/70/198374670.db2.gz OXLTYHXDSLTIGJ-UHFFFAOYSA-N 0 1 265.382 2.627 20 30 CFEDMN C#CCOCSc1n[nH]c(CCC2CCCC2)n1 ZINC000292681670 198374673 /nfs/dbraw/zinc/37/46/73/198374673.db2.gz OXLTYHXDSLTIGJ-UHFFFAOYSA-N 0 1 265.382 2.627 20 30 CFEDMN C=C[C@H](C)NCc1cc(OCC)c(OC)cc1F ZINC000623445127 353647268 /nfs/dbraw/zinc/64/72/68/353647268.db2.gz DDQFFGLCEDVMMH-JTQLQIEISA-N 0 1 253.317 2.897 20 30 CFEDMN C=CC(C)(C)CCNC(=O)N[C@@H](C)Cc1cc(C)[nH]n1 ZINC000623778734 353724146 /nfs/dbraw/zinc/72/41/46/353724146.db2.gz AGZBGFUAIMZIQS-NSHDSACASA-N 0 1 278.400 2.551 20 30 CFEDMN C=CC[C@@H]1CCN(CC(=O)Nc2ccccc2C)C1 ZINC000625701715 354089450 /nfs/dbraw/zinc/08/94/50/354089450.db2.gz BVDAMDUZPDZPMW-CQSZACIVSA-N 0 1 258.365 2.832 20 30 CFEDMN C=C(C)CN(CC)C(=O)[C@H](C)N1CCCC(F)(F)CC1 ZINC000625768558 354104575 /nfs/dbraw/zinc/10/45/75/354104575.db2.gz WVMIGHDFGYZAQH-ZDUSSCGKSA-N 0 1 288.382 2.921 20 30 CFEDMN CC#CCCN1CCC[C@]2(CC(=O)c3ccccc3O2)C1 ZINC000625803732 354115870 /nfs/dbraw/zinc/11/58/70/354115870.db2.gz RHGFVVSTQHAOJT-SFHVURJKSA-N 0 1 283.371 2.900 20 30 CFEDMN C=CC[C@@H]1CCN(C(=O)c2cccc3c[nH]nc32)C1 ZINC000628484944 354603361 /nfs/dbraw/zinc/60/33/61/354603361.db2.gz YLXJBPMAPHDVRI-LLVKDONJSA-N 0 1 255.321 2.601 20 30 CFEDMN C=CC[C@H]1CCN(C(=O)[C@@H](C)N2CCc3ccccc3C2)C1 ZINC000628488042 354605237 /nfs/dbraw/zinc/60/52/37/354605237.db2.gz QMEUEHKQUROBPS-CVEARBPZSA-N 0 1 298.430 2.858 20 30 CFEDMN C=CC[C@@H]1CC[N@H+](Cc2ccc(C(=O)[O-])cc2F)C1 ZINC000629366852 354789572 /nfs/dbraw/zinc/78/95/72/354789572.db2.gz ZNHANIDVWHRRMK-LLVKDONJSA-N 0 1 263.312 2.922 20 30 CFEDMN C[C@H](N[C@@H]1c2ccccc2C[C@H]1O)c1cccc(C#N)c1 ZINC000271900500 191399578 /nfs/dbraw/zinc/39/95/78/191399578.db2.gz VJYLLERWYYPSRU-JBBXEZCESA-N 0 1 278.355 2.867 20 30 CFEDMN C=CCOc1cccc(CN[C@H](C)[C@H](O)C(F)(F)F)c1 ZINC000631232724 355364507 /nfs/dbraw/zinc/36/45/07/355364507.db2.gz UOGGAHAFAIHOGC-MFKMUULPSA-N 0 1 289.297 2.653 20 30 CFEDMN Cc1cc(C2CCN(C(=O)c3ccc(C#N)cc3)CC2)n[nH]1 ZINC000272023120 191470889 /nfs/dbraw/zinc/47/08/89/191470889.db2.gz ABUCXTGTAVEQLT-UHFFFAOYSA-N 0 1 294.358 2.610 20 30 CFEDMN C=CCC(CC=C)C(=O)Nc1cc(N(C)C)ccn1 ZINC000680253213 540201491 /nfs/dbraw/zinc/20/14/91/540201491.db2.gz AECYSHXBMINZOG-UHFFFAOYSA-N 0 1 259.353 2.855 20 30 CFEDMN C=C1CC(C)(C(=O)NC[C@@H]2CCN2Cc2ccccc2)C1 ZINC000633653549 355960408 /nfs/dbraw/zinc/96/04/08/355960408.db2.gz CBCHPSKSWULLDX-INIZCTEOSA-N 0 1 284.403 2.733 20 30 CFEDMN C=CCCC(C)(C)CNC(=O)c1ccc(CN(C)C)nc1 ZINC000633966613 356046696 /nfs/dbraw/zinc/04/66/96/356046696.db2.gz RKUMDNSUQBCHSX-UHFFFAOYSA-N 0 1 289.423 2.865 20 30 CFEDMN N#Cc1ccc(CN2CCC(N3CCCCC3=O)CC2)cc1 ZINC000178429043 283139668 /nfs/dbraw/zinc/13/96/68/283139668.db2.gz BQHXJEZZBKNDGB-UHFFFAOYSA-N 0 1 297.402 2.535 20 30 CFEDMN N#Cc1ccc(CN2CCC[C@H](O)CC2)c(C(F)(F)F)c1 ZINC000335896905 283140274 /nfs/dbraw/zinc/14/02/74/283140274.db2.gz VTDXFQRENLJPAA-ZDUSSCGKSA-N 0 1 298.308 2.924 20 30 CFEDMN C[C@@H]1CC[C@H](NC(=O)[C@@H]2CCc3[nH]nnc3C2)[C@@H](C)C1 ZINC000329063239 540229983 /nfs/dbraw/zinc/22/99/83/540229983.db2.gz ZVGQGVANTZQLCB-KXNHARMFSA-N 0 1 276.384 2.691 20 30 CFEDMN C[C@@H]1CC[C@H](NC(=O)[C@@H]2CCc3nn[nH]c3C2)[C@@H](C)C1 ZINC000329063239 540229985 /nfs/dbraw/zinc/22/99/85/540229985.db2.gz ZVGQGVANTZQLCB-KXNHARMFSA-N 0 1 276.384 2.691 20 30 CFEDMN N#Cc1ccc2c(c1)CCC[C@H]2NCc1cncnc1 ZINC000418154355 283194967 /nfs/dbraw/zinc/19/49/67/283194967.db2.gz ZXLVNDFZSQQCDZ-MRXNPFEDSA-N 0 1 264.332 2.515 20 30 CFEDMN C[C@@H](CNc1cccc(Cl)c1C#N)CN1CCOCC1 ZINC000296952413 200044874 /nfs/dbraw/zinc/04/48/74/200044874.db2.gz CDKKPHWVVWXMIN-LBPRGKRZSA-N 0 1 293.798 2.592 20 30 CFEDMN C=CC(C)(C)c1nc(Cc2nnc(-c3ccccc3)[nH]2)no1 ZINC000297608375 200240533 /nfs/dbraw/zinc/24/05/33/200240533.db2.gz IJYAEYSTHCEVHG-UHFFFAOYSA-N 0 1 295.346 2.909 20 30 CFEDMN CCN(CC#Cc1ccc(Cl)cc1)CCC(=O)OC ZINC000177083416 189027752 /nfs/dbraw/zinc/02/77/52/189027752.db2.gz UQQUGSGHDLGNSA-UHFFFAOYSA-N 0 1 279.767 2.577 20 30 CFEDMN C=C(C)COCCNc1cc[nH+]c2c([O-])cccc12 ZINC000684578491 540870221 /nfs/dbraw/zinc/87/02/21/540870221.db2.gz MXHQLKKRWJFQJD-UHFFFAOYSA-N 0 1 258.321 2.945 20 30 CFEDMN C=CCNC(=O)[C@@H](C)N[C@@H](CC)c1ccccc1OCC ZINC000179749604 189218378 /nfs/dbraw/zinc/21/83/78/189218378.db2.gz VJSIJTWBPJVOMJ-HIFRSBDPSA-N 0 1 290.407 2.817 20 30 CFEDMN C=CCCC(=O)N(CC)CCNCc1cc(F)ccc1F ZINC001273293430 781943405 /nfs/dbraw/zinc/94/34/05/781943405.db2.gz LQCGKRBTQRSAMG-UHFFFAOYSA-N 0 1 296.361 2.869 20 30 CFEDMN C[C@H](N[C@@H](C)c1ccccc1Cl)C(=O)N(C)CCC#N ZINC000070786548 299345683 /nfs/dbraw/zinc/34/56/83/299345683.db2.gz QKRRJHAMQMPLIP-RYUDHWBXSA-N 0 1 293.798 2.751 20 30 CFEDMN CCOc1cccc(C=C(C)c2nc(C)c(C#N)c(=O)[nH]2)c1 ZINC000435338628 240303963 /nfs/dbraw/zinc/30/39/63/240303963.db2.gz HKWBPLVTAJUNJE-FLIBITNWSA-N 0 1 295.342 2.909 20 30 CFEDMN CCc1n[nH]c(S[C@@H](C#N)C2CCCCC2)n1 ZINC000115186816 260674756 /nfs/dbraw/zinc/67/47/56/260674756.db2.gz CWQUVBXTRDYKPZ-JTQLQIEISA-N 0 1 250.371 2.932 20 30 CFEDMN CCc1nc(S[C@@H](C#N)C2CCCCC2)n[nH]1 ZINC000115186816 260674758 /nfs/dbraw/zinc/67/47/58/260674758.db2.gz CWQUVBXTRDYKPZ-JTQLQIEISA-N 0 1 250.371 2.932 20 30 CFEDMN CCn1cc([C@@H](C)NCc2ccc(C#N)c(C)c2)cn1 ZINC000449676302 242101904 /nfs/dbraw/zinc/10/19/04/242101904.db2.gz GGWYHGGSILFWDH-CYBMUJFWSA-N 0 1 268.364 2.934 20 30 CFEDMN CCn1cc([C@@H](C)NCc2cc(C#N)cs2)cn1 ZINC000449671845 242098974 /nfs/dbraw/zinc/09/89/74/242098974.db2.gz UDPVZZMVCZVLBN-SNVBAGLBSA-N 0 1 260.366 2.687 20 30 CFEDMN Cc1cc(C[C@H](C)Nc2cccc(C#N)c2[N+](=O)[O-])[nH]n1 ZINC000450396234 242395841 /nfs/dbraw/zinc/39/58/41/242395841.db2.gz STMGYYLYSFYSTH-VIFPVBQESA-N 0 1 285.307 2.541 20 30 CFEDMN C=CCCN(C)C(=O)NC[C@H](c1ccc(F)cc1)N(C)C ZINC000276006315 193186597 /nfs/dbraw/zinc/18/65/97/193186597.db2.gz AASSGHTYMIFSLV-OAHLLOKOSA-N 0 1 293.386 2.646 20 30 CFEDMN Fc1ccc(C#CCN2CCC[C@H](n3ccnc3)C2)cc1 ZINC000676558983 541767400 /nfs/dbraw/zinc/76/74/00/541767400.db2.gz UOABWTLZDSFYQF-KRWDZBQOSA-N 0 1 283.350 2.711 20 30 CFEDMN C=CCCN(C)[C@@H](C)C(=O)Nc1cc(F)ccc1F ZINC000276375903 193306837 /nfs/dbraw/zinc/30/68/37/193306837.db2.gz HMNYDBMKVHJEEK-JTQLQIEISA-N 0 1 268.307 2.800 20 30 CFEDMN C=CCCN(C)[C@@H](C)C(=O)Nc1ccccc1OCC ZINC000276432192 193328233 /nfs/dbraw/zinc/32/82/33/193328233.db2.gz NNOZAWWQFLJVNF-ZDUSSCGKSA-N 0 1 276.380 2.920 20 30 CFEDMN C=CCCN(C)[C@H](C)C(=O)c1c[nH]c2ncccc12 ZINC000276476539 193347416 /nfs/dbraw/zinc/34/74/16/193347416.db2.gz SIPKREAPYUMYAD-LLVKDONJSA-N 0 1 257.337 2.642 20 30 CFEDMN COc1ccc(C#N)cc1CN1CC2(CCC2)[C@@H]2COC[C@H]21 ZINC000459671314 245266365 /nfs/dbraw/zinc/26/63/65/245266365.db2.gz KFJGXYQINDCSMI-HZPDHXFCSA-N 0 1 298.386 2.568 20 30 CFEDMN N#Cc1ccccc1S(=O)(=O)Nc1ccc(F)c(F)c1 ZINC000016129682 372100090 /nfs/dbraw/zinc/10/00/90/372100090.db2.gz QRGIAHGAPLHBRH-UHFFFAOYSA-N 0 1 294.282 2.637 20 30 CFEDMN COc1ccc(CNCc2ccc(C#N)cc2F)cc1 ZINC000020045946 372223154 /nfs/dbraw/zinc/22/31/54/372223154.db2.gz SVEZFFDTUJTCFU-UHFFFAOYSA-N 0 1 270.307 2.996 20 30 CFEDMN C[C@@H](NCC(=O)N1CCCCCC1)c1ccc(C#N)cc1 ZINC000037749616 372698226 /nfs/dbraw/zinc/69/82/26/372698226.db2.gz JVORLDNHZKVSHI-CQSZACIVSA-N 0 1 285.391 2.611 20 30 CFEDMN N#Cc1ccc(F)cc1CN1CC[C@@H]2C[C@@H](O)CC[C@H]2C1 ZINC000451691435 383684379 /nfs/dbraw/zinc/68/43/79/383684379.db2.gz BYFPYTYGKNOKTB-IFIJOSMWSA-N 0 1 288.366 2.680 20 30 CFEDMN Cc1occc1C(=O)[C@@H](C#N)c1nc2ccccc2[nH]1 ZINC000041496182 372844257 /nfs/dbraw/zinc/84/42/57/372844257.db2.gz WGSYUNSEMQZPOV-LLVKDONJSA-N 0 1 265.272 2.954 20 30 CFEDMN Cc1occc1C(=O)C(C#N)c1nc2ccccc2[nH]1 ZINC000041496182 372844261 /nfs/dbraw/zinc/84/42/61/372844261.db2.gz WGSYUNSEMQZPOV-LLVKDONJSA-N 0 1 265.272 2.954 20 30 CFEDMN CCN(Cc1cc(C#N)ccc1F)C[C@H]1CCCO1 ZINC000048954034 373237448 /nfs/dbraw/zinc/23/74/48/373237448.db2.gz YZAOBTAHHYBIMG-CQSZACIVSA-N 0 1 262.328 2.698 20 30 CFEDMN C=C(C)CN(CC)C(=O)CN(C)CCc1ccccc1 ZINC000051998431 373426965 /nfs/dbraw/zinc/42/69/65/373426965.db2.gz JYLACZOBWNKAOJ-UHFFFAOYSA-N 0 1 274.408 2.586 20 30 CFEDMN Cc1cc(C)cc(N(CCC#N)C(=O)CN(C)CC2CC2)c1 ZINC000052106405 373437975 /nfs/dbraw/zinc/43/79/75/373437975.db2.gz QPUPFVWXUFCJLJ-UHFFFAOYSA-N 0 1 299.418 2.892 20 30 CFEDMN CC[C@@H](CC#N)N[C@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC000054184049 373504276 /nfs/dbraw/zinc/50/42/76/373504276.db2.gz BLZGFAYUUBRAMD-STQMWFEESA-N 0 1 281.400 2.668 20 30 CFEDMN CCN(CC(=O)N(C)CC1CC1)[C@H](C)c1ccc(C#N)cc1 ZINC000060469434 373697955 /nfs/dbraw/zinc/69/79/55/373697955.db2.gz DUJDZBDIJDCVMS-CQSZACIVSA-N 0 1 299.418 2.810 20 30 CFEDMN C=CCN(CCn1cccn1)Cc1ccc(OC)cc1 ZINC000064142884 373818713 /nfs/dbraw/zinc/81/87/13/373818713.db2.gz BLBZIWXCCLZWCW-UHFFFAOYSA-N 0 1 271.364 2.580 20 30 CFEDMN C=C(C)COc1cccc(NC(=O)c2cn[nH]c2C)c1 ZINC000066727142 373948150 /nfs/dbraw/zinc/94/81/50/373948150.db2.gz LYXMCOXOMOQYPU-UHFFFAOYSA-N 0 1 271.320 2.925 20 30 CFEDMN C#CCN1CCC(C(=O)N(CC)[C@@H]2CCCC[C@H]2C)CC1 ZINC000066414410 373930411 /nfs/dbraw/zinc/93/04/11/373930411.db2.gz ITMPUXFJUZMUGN-NVXWUHKLSA-N 0 1 290.451 2.759 20 30 CFEDMN COCC#CCSc1nc(-c2ccc(Cl)cc2)n[nH]1 ZINC000677804599 541908157 /nfs/dbraw/zinc/90/81/57/541908157.db2.gz GWOYQETXMALMQF-UHFFFAOYSA-N 0 1 293.779 2.867 20 30 CFEDMN C=CC[NH+](CC=C)Cc1nc(=O)c2sccc2[n-]1 ZINC000072591970 374268977 /nfs/dbraw/zinc/26/89/77/374268977.db2.gz MOIRLFAMLKRIKN-UHFFFAOYSA-N 0 1 261.350 2.571 20 30 CFEDMN CCOC[C@@H]1CCCN(Cc2ccccc2C#N)C1 ZINC000072976340 374310258 /nfs/dbraw/zinc/31/02/58/374310258.db2.gz DZFHDEOKVXMPHI-CQSZACIVSA-N 0 1 258.365 2.807 20 30 CFEDMN CCN1C[C@H](C)N(C(=O)/C=C\c2ccc(C#N)cc2)C[C@H]1C ZINC000492263917 246237087 /nfs/dbraw/zinc/23/70/87/246237087.db2.gz UPDNDKXKLAVNJJ-TWEVIJGYSA-N 0 1 297.402 2.513 20 30 CFEDMN CCN1C[C@H](C)N(C(=O)/C=C\c2cccc(C#N)c2)C[C@@H]1C ZINC000492293585 246247716 /nfs/dbraw/zinc/24/77/16/246247716.db2.gz FYLCRZKEFOCTOX-ZNQSWUDVSA-N 0 1 297.402 2.513 20 30 CFEDMN C=CCCCN(C)CC(=O)Nc1ccc(C)c(F)c1 ZINC000076736150 374556624 /nfs/dbraw/zinc/55/66/24/374556624.db2.gz GUPDUCSBJWKKBT-UHFFFAOYSA-N 0 1 264.344 2.971 20 30 CFEDMN COc1ccnc(NCc2ccc(C#N)cc2F)c1 ZINC000083419514 374744112 /nfs/dbraw/zinc/74/41/12/374744112.db2.gz WTFNKZBQHBRIFD-UHFFFAOYSA-N 0 1 257.268 2.713 20 30 CFEDMN CCC[C@@H](C#N)NC(=O)[C@H](c1ccccc1)N(CC)CC ZINC000092005978 375080973 /nfs/dbraw/zinc/08/09/73/375080973.db2.gz DFYAEVUDWDSCME-HOTGVXAUSA-N 0 1 287.407 2.878 20 30 CFEDMN CCC[C@H](C#N)NC(=O)[C@@H](c1ccccc1)N(CC)CC ZINC000092005977 375081702 /nfs/dbraw/zinc/08/17/02/375081702.db2.gz DFYAEVUDWDSCME-HZPDHXFCSA-N 0 1 287.407 2.878 20 30 CFEDMN CCc1nn(C)cc1CN[C@@H](C)c1ccc(C#N)cc1 ZINC000092367797 375103430 /nfs/dbraw/zinc/10/34/30/375103430.db2.gz AOLQJNCGHVXKRU-LBPRGKRZSA-N 0 1 268.364 2.705 20 30 CFEDMN CCc1nn(C)cc1CN[C@@H](C)c1cccc(C#N)c1 ZINC000092409997 375108943 /nfs/dbraw/zinc/10/89/43/375108943.db2.gz QYHKRBQOXLGCDP-LBPRGKRZSA-N 0 1 268.364 2.705 20 30 CFEDMN CCN(Cc1cc(C#N)cs1)C[C@@H]1CCCO1 ZINC000092407791 375110118 /nfs/dbraw/zinc/11/01/18/375110118.db2.gz SONFYQLSXPZANT-LBPRGKRZSA-N 0 1 250.367 2.621 20 30 CFEDMN CCC[N@@H+](CCC#N)C1CCN(C(=O)c2ccccc2)CC1 ZINC000101566754 375643046 /nfs/dbraw/zinc/64/30/46/375643046.db2.gz JUWBSQNKUBAWHI-UHFFFAOYSA-N 0 1 299.418 2.917 20 30 CFEDMN CCCN(CCC#N)C1CCN(C(=O)c2ccccc2)CC1 ZINC000101566754 375643054 /nfs/dbraw/zinc/64/30/54/375643054.db2.gz JUWBSQNKUBAWHI-UHFFFAOYSA-N 0 1 299.418 2.917 20 30 CFEDMN N#Cc1ccccc1N1CCC[C@@H](NCc2cscn2)C1 ZINC000109077701 375819942 /nfs/dbraw/zinc/81/99/42/375819942.db2.gz CMTRCCAYJGSJDB-CQSZACIVSA-N 0 1 298.415 2.773 20 30 CFEDMN N#Cc1ccccc1N1CCC[C@H](NCc2cscn2)C1 ZINC000109077698 375820074 /nfs/dbraw/zinc/82/00/74/375820074.db2.gz CMTRCCAYJGSJDB-AWEZNQCLSA-N 0 1 298.415 2.773 20 30 CFEDMN C=C(C)[C@@H](CO)N[C@@H](CC)c1ccc(F)cc1F ZINC000678782541 542069600 /nfs/dbraw/zinc/06/96/00/542069600.db2.gz IANDROKEABLPOA-UONOGXRCSA-N 0 1 255.308 2.943 20 30 CFEDMN C=C(C)CN(CC)CC(=O)NCCc1c(F)cccc1F ZINC000114712407 376081329 /nfs/dbraw/zinc/08/13/29/376081329.db2.gz QZEPIZOQLLAKNC-UHFFFAOYSA-N 0 1 296.361 2.522 20 30 CFEDMN N#CCC(=O)N[C@H](c1ccccc1)c1ccc2nc[nH]c2c1 ZINC000121948793 376920005 /nfs/dbraw/zinc/92/00/05/376920005.db2.gz IBHGMSJANKIXMA-QGZVFWFLSA-N 0 1 290.326 2.682 20 30 CFEDMN C#C[C@@H](C)NCc1c(C)nn(-c2ccccc2)c1C ZINC000123125068 376947974 /nfs/dbraw/zinc/94/79/74/376947974.db2.gz IIFFTFLNDPRMQH-GFCCVEGCSA-N 0 1 253.349 2.600 20 30 CFEDMN C=CCC[C@@H](O)CN(CC=C)Cc1cccc([N+](=O)[O-])c1 ZINC000124463998 377051885 /nfs/dbraw/zinc/05/18/85/377051885.db2.gz BSBJQBHYEPHPIS-MRXNPFEDSA-N 0 1 290.363 2.910 20 30 CFEDMN C=C(C)CN(CC)[C@@H](C)C(=O)N(C)c1ccccc1 ZINC000123922272 376997966 /nfs/dbraw/zinc/99/79/66/376997966.db2.gz RDXCRJGUSNCPEI-AWEZNQCLSA-N 0 1 260.381 2.936 20 30 CFEDMN Cn1cc(CNCc2cccc(C#N)c2)c(C(F)(F)F)n1 ZINC000130652390 377589642 /nfs/dbraw/zinc/58/96/42/377589642.db2.gz OKWMPYFGHIJKKO-UHFFFAOYSA-N 0 1 294.280 2.600 20 30 CFEDMN C=CCOCCN[C@H](C)c1nc2c(s1)CCCC2 ZINC000679576303 542210785 /nfs/dbraw/zinc/21/07/85/542210785.db2.gz MLAGHSZUPQXDEK-LLVKDONJSA-N 0 1 266.410 2.875 20 30 CFEDMN Cc1nccn1CCC[N@H+](C)CC#Cc1ccc(F)cc1 ZINC000130829275 377618696 /nfs/dbraw/zinc/61/86/96/377618696.db2.gz FKNVGKIQVOKJGU-UHFFFAOYSA-N 0 1 285.366 2.704 20 30 CFEDMN Cc1n[nH]c(C)c1C[N@H+](C)Cc1ccc(C#N)cc1 ZINC000131205804 377675310 /nfs/dbraw/zinc/67/53/10/377675310.db2.gz IBTTUUBQKLBYOG-UHFFFAOYSA-N 0 1 254.337 2.530 20 30 CFEDMN Cc1n[nH]c(C)c1CN(C)Cc1ccc(C#N)cc1 ZINC000131205804 377675317 /nfs/dbraw/zinc/67/53/17/377675317.db2.gz IBTTUUBQKLBYOG-UHFFFAOYSA-N 0 1 254.337 2.530 20 30 CFEDMN C=CCCN(C)[C@H](C)c1ccc(S(C)(=O)=O)cc1 ZINC000132458205 377842680 /nfs/dbraw/zinc/84/26/80/377842680.db2.gz IFVSJZVSKWQKMD-GFCCVEGCSA-N 0 1 267.394 2.659 20 30 CFEDMN CC[C@@H]1CCC[C@H](NC(=O)[C@H]2CCc3[nH]nnc3C2)C1 ZINC000328992399 378446192 /nfs/dbraw/zinc/44/61/92/378446192.db2.gz DMMYNLKUCCMWMI-WOPDTQHZSA-N 0 1 276.384 2.835 20 30 CFEDMN CC[C@@H]1CCC[C@H](NC(=O)[C@H]2CCc3nn[nH]c3C2)C1 ZINC000328992399 378446197 /nfs/dbraw/zinc/44/61/97/378446197.db2.gz DMMYNLKUCCMWMI-WOPDTQHZSA-N 0 1 276.384 2.835 20 30 CFEDMN CC[C@@H]1C[C@H](CC(=O)N[C@H]2CCc3nc[nH]c3C2)CCO1 ZINC000329328390 378455281 /nfs/dbraw/zinc/45/52/81/378455281.db2.gz XRWVSTCROFDSOA-FRRDWIJNSA-N 0 1 291.395 2.819 20 30 CFEDMN Cc1ncncc1C(=O)N[C@@H]1CCN(C)[C@H]1c1ccccc1 ZINC000328804844 378427742 /nfs/dbraw/zinc/42/77/42/378427742.db2.gz BTHXQNYYCYXZJP-CVEARBPZSA-N 0 1 296.374 2.535 20 30 CFEDMN Cc1n[nH]c(C(C)C)c1C(=O)NCC[N@@H+]1CC=C(C)CC1 ZINC000329704309 378484783 /nfs/dbraw/zinc/48/47/83/378484783.db2.gz ITNWRPIKBMHPAI-UHFFFAOYSA-N 0 1 290.411 2.798 20 30 CFEDMN Cc1[nH]nc(C(C)C)c1C(=O)NCCN1CC=C(C)CC1 ZINC000329704309 378484786 /nfs/dbraw/zinc/48/47/86/378484786.db2.gz ITNWRPIKBMHPAI-UHFFFAOYSA-N 0 1 290.411 2.798 20 30 CFEDMN Cc1n[nH]c(C(C)C)c1C(=O)NCCN1CC=C(C)CC1 ZINC000329704309 378484791 /nfs/dbraw/zinc/48/47/91/378484791.db2.gz ITNWRPIKBMHPAI-UHFFFAOYSA-N 0 1 290.411 2.798 20 30 CFEDMN O=C(N[C@H]1C=CCCC1)N1CCC(c2cnc[nH]2)CC1 ZINC000329782453 378494937 /nfs/dbraw/zinc/49/49/37/378494937.db2.gz UIDBLZUXMXTRCX-ZDUSSCGKSA-N 0 1 274.368 2.612 20 30 CFEDMN C[C@@H]1CCC[C@H](NC([O-])=[NH+][C@@H]2CCc3c[nH]nc3C2)[C@H]1C ZINC000329860718 378506971 /nfs/dbraw/zinc/50/69/71/378506971.db2.gz PSXDFEREZFCFEK-WVWOOGAGSA-N 0 1 290.411 2.595 20 30 CFEDMN C[C@@H]1CCC[C@H]([NH+]=C([O-])N[C@@H]2CCc3c[nH]nc3C2)[C@H]1C ZINC000329860718 378506975 /nfs/dbraw/zinc/50/69/75/378506975.db2.gz PSXDFEREZFCFEK-WVWOOGAGSA-N 0 1 290.411 2.595 20 30 CFEDMN C[C@@H]1CCN(C([O-])=[NH+]C[C@@H]2CC2(C)C)C[C@H]1n1ccnc1 ZINC000329936977 378515784 /nfs/dbraw/zinc/51/57/84/378515784.db2.gz DKRYXPOPIXVZKY-HZSPNIEDSA-N 0 1 290.411 2.726 20 30 CFEDMN Cc1cc(C[C@H](C)NC(=O)c2c(C)coc2C)n[nH]1 ZINC000330480607 378566460 /nfs/dbraw/zinc/56/64/60/378566460.db2.gz NYZGUBKSRPZBSW-VIFPVBQESA-N 0 1 261.325 2.864 20 30 CFEDMN CCN(CC(C)C)C(=O)N[C@@H]1CCCc2cn[nH]c21 ZINC000331141132 378641141 /nfs/dbraw/zinc/64/11/41/378641141.db2.gz RDYZXVRWFZJRCL-GFCCVEGCSA-N 0 1 264.373 2.679 20 30 CFEDMN C#CCN(CC(=O)N[C@H](C)c1cccs1)C1CCCC1 ZINC000155785364 378632478 /nfs/dbraw/zinc/63/24/78/378632478.db2.gz LFJMEAWFECDGSD-CYBMUJFWSA-N 0 1 290.432 2.803 20 30 CFEDMN Cc1oc(NC(=O)CN(C)[C@@H](C)C2(C)CC2)c(C#N)c1C ZINC000156730408 378644463 /nfs/dbraw/zinc/64/44/63/378644463.db2.gz XAGRHWJQFWYXIR-LBPRGKRZSA-N 0 1 289.379 2.827 20 30 CFEDMN CC#CCCN(C)C1(C(=O)OCC)CCCCC1 ZINC000156765356 378644756 /nfs/dbraw/zinc/64/47/56/378644756.db2.gz POXZPWUCROZJAH-UHFFFAOYSA-N 0 1 251.370 2.598 20 30 CFEDMN N#C[C@H](NC(=O)c1cccc2nc[nH]c21)C1CCCCC1 ZINC000159802947 378730093 /nfs/dbraw/zinc/73/00/93/378730093.db2.gz DLLLKHPQULABGY-AWEZNQCLSA-N 0 1 282.347 2.765 20 30 CFEDMN C[C@H](c1cccc(C#N)c1)N1CC[C@@H]([C@H](O)C(F)(F)F)C1 ZINC000451884346 383731902 /nfs/dbraw/zinc/73/19/02/383731902.db2.gz GKAWGFQGAQDVQY-HONMWMINSA-N 0 1 298.308 2.864 20 30 CFEDMN N#CCC[C@@H](C#N)CN1CC2(CCC2)[C@H]1C1CCOCC1 ZINC000333381366 378822430 /nfs/dbraw/zinc/82/24/30/378822430.db2.gz KNSMGRAUQDGISE-GOEBONIOSA-N 0 1 287.407 2.711 20 30 CFEDMN C=CCN(C)C(=O)[C@@H](c1ccccc1)N(CC)CC ZINC000161477591 378849631 /nfs/dbraw/zinc/84/96/31/378849631.db2.gz LJUAGZDMUJGETO-OAHLLOKOSA-N 0 1 260.381 2.714 20 30 CFEDMN C#CCN(Cc1cnc2ccccn12)C1CCCC1 ZINC000162020091 378889774 /nfs/dbraw/zinc/88/97/74/378889774.db2.gz SMOQUVMZDPUOPO-UHFFFAOYSA-N 0 1 253.349 2.712 20 30 CFEDMN N#C[C@@H]1CC[C@@H](N2CC[C@]3(C2)CC(=O)c2ccccc2O3)C1 ZINC000334027248 378890942 /nfs/dbraw/zinc/89/09/42/378890942.db2.gz HZSDARKPNMMPPO-HBUWYVDXSA-N 0 1 296.370 2.789 20 30 CFEDMN C=C(C)CN(CC)Cc1ccc(C(=O)OC)s1 ZINC000162067655 378892923 /nfs/dbraw/zinc/89/29/23/378892923.db2.gz GWHDRROYJRSONL-UHFFFAOYSA-N 0 1 253.367 2.933 20 30 CFEDMN C=C(C)CNC(=O)NC[C@H](c1ccco1)N(CC)CC ZINC000163578789 378981045 /nfs/dbraw/zinc/98/10/45/378981045.db2.gz UEDSWKTYUNGNOZ-CYBMUJFWSA-N 0 1 279.384 2.538 20 30 CFEDMN C#C[C@@H](C)NCc1cc(Br)ccc1OC ZINC000166419220 379055427 /nfs/dbraw/zinc/05/54/27/379055427.db2.gz ZMKCPHNRGCKLJD-SECBINFHSA-N 0 1 268.154 2.569 20 30 CFEDMN C=C[C@@H]1CCCCN1C(=O)c1[nH]nc2ccccc21 ZINC000335307798 379054803 /nfs/dbraw/zinc/05/48/03/379054803.db2.gz GJOJYWJLDOWURX-LLVKDONJSA-N 0 1 255.321 2.744 20 30 CFEDMN CC(C)(C)[C@H](CO)NCc1ccc(Cl)cc1C#N ZINC000278736133 194129137 /nfs/dbraw/zinc/12/91/37/194129137.db2.gz LJJZTBLVGDPZDS-ZDUSSCGKSA-N 0 1 266.772 2.708 20 30 CFEDMN C[C@@H]1[C@@H](C)N(C(=O)c2ccc(C(C)(C)C#N)cc2)CCN1C ZINC000335403865 379228299 /nfs/dbraw/zinc/22/82/99/379228299.db2.gz UAWKYCDYHCMIAT-ZIAGYGMSSA-N 0 1 299.418 2.652 20 30 CFEDMN CC(C)(C)n1cc(C#N)c(=NC(=O)[C@@H]2CCC(C)(C)C2)[nH]1 ZINC000334455831 379329650 /nfs/dbraw/zinc/32/96/50/379329650.db2.gz GOOSWWUKHJOZQD-LLVKDONJSA-N 0 1 288.395 2.696 20 30 CFEDMN C[C@H]1C[C@H](CO)C[N@@H+](Cc2ccc(C#N)cc2Cl)C1 ZINC000335557360 379508131 /nfs/dbraw/zinc/50/81/31/379508131.db2.gz UXMBMSMYUNLLAD-AAEUAGOBSA-N 0 1 278.783 2.662 20 30 CFEDMN C[C@H]1C[C@H](CO)CN(Cc2ccc(C#N)cc2Cl)C1 ZINC000335557360 379508138 /nfs/dbraw/zinc/50/81/38/379508138.db2.gz UXMBMSMYUNLLAD-AAEUAGOBSA-N 0 1 278.783 2.662 20 30 CFEDMN N#Cc1cc(F)ccc1CN1CC[C@H](O)C12CCCC2 ZINC000335697644 379740922 /nfs/dbraw/zinc/74/09/22/379740922.db2.gz VKSVXDGXXZHWRI-HNNXBMFYSA-N 0 1 274.339 2.577 20 30 CFEDMN N#CC1(CN2CCC[C@]3(CCSC3)C2)CCC1 ZINC000334688720 379769418 /nfs/dbraw/zinc/76/94/18/379769418.db2.gz TXQAWVIXFQGKRH-AWEZNQCLSA-N 0 1 250.411 2.899 20 30 CFEDMN C[C@@H]1CCCC[C@@H]1OCCNCc1ccc(C#N)o1 ZINC000174284849 379857389 /nfs/dbraw/zinc/85/73/89/379857389.db2.gz JRWJZESSSRKOTH-DOMZBBRYSA-N 0 1 262.353 2.836 20 30 CFEDMN C[C@@H]1CCCC[C@H]1OCCNCc1ccc(C#N)o1 ZINC000174284876 379858125 /nfs/dbraw/zinc/85/81/25/379858125.db2.gz JRWJZESSSRKOTH-IUODEOHRSA-N 0 1 262.353 2.836 20 30 CFEDMN N#Cc1ccc(C[N@H+]2CCC[C@]3(CCSC3)C2)o1 ZINC000334747242 379872455 /nfs/dbraw/zinc/87/24/55/379872455.db2.gz MNDNLBDRZXQHLZ-AWEZNQCLSA-N 0 1 262.378 2.870 20 30 CFEDMN N#Cc1ccc(CN2CCC[C@]3(CCSC3)C2)o1 ZINC000334747242 379872458 /nfs/dbraw/zinc/87/24/58/379872458.db2.gz MNDNLBDRZXQHLZ-AWEZNQCLSA-N 0 1 262.378 2.870 20 30 CFEDMN C[C@@H](NCc1ccc(C#N)o1)[C@@H](O)c1ccc(F)cc1 ZINC000174402008 379878905 /nfs/dbraw/zinc/87/89/05/379878905.db2.gz OJULEPQYVBQYHY-MEBBXXQBSA-N 0 1 274.295 2.502 20 30 CFEDMN C=CCCCC(=O)NC[C@@H](c1ccco1)N1CCCC1 ZINC000175073937 379990790 /nfs/dbraw/zinc/99/07/90/379990790.db2.gz AQUUKIIKXCHTIE-AWEZNQCLSA-N 0 1 276.380 2.889 20 30 CFEDMN C=CCCCC(=O)NC[C@@H](c1ccc(F)cc1)N(C)C ZINC000175372538 380052583 /nfs/dbraw/zinc/05/25/83/380052583.db2.gz ZKQIRFOWQSKZHZ-HNNXBMFYSA-N 0 1 278.371 2.901 20 30 CFEDMN N#Cc1ccc(CN2C[C@@H](O)C[C@@H]2c2ccccc2)s1 ZINC000335247239 380076139 /nfs/dbraw/zinc/07/61/39/380076139.db2.gz WNTLWUJIYCUQLK-XJKSGUPXSA-N 0 1 284.384 2.928 20 30 CFEDMN N#Cc1ccc(C[N@H+]2C[C@@H](O)C[C@H]2c2ccccc2)cc1 ZINC000335249409 380080812 /nfs/dbraw/zinc/08/08/12/380080812.db2.gz PTMADJSNXUIOSD-ROUUACIJSA-N 0 1 278.355 2.866 20 30 CFEDMN CC[C@H](/N=C/c1ccc(N(CC)CC)cc1O)C(=O)OC ZINC000176449459 380236013 /nfs/dbraw/zinc/23/60/13/380236013.db2.gz GGHMJYUKKNAUDJ-MPMPPSQCSA-N 0 1 292.379 2.609 20 30 CFEDMN COc1ccc(CNCc2ccc(C#N)s2)cc1O ZINC000176960154 380286512 /nfs/dbraw/zinc/28/65/12/380286512.db2.gz DZOLRTOFSDOULZ-UHFFFAOYSA-N 0 1 274.345 2.624 20 30 CFEDMN CC(=O)Nc1cccc(CNCc2ccc(C#N)s2)c1 ZINC000176947575 380287086 /nfs/dbraw/zinc/28/70/86/380287086.db2.gz UZTLRLYTRLIYNV-UHFFFAOYSA-N 0 1 285.372 2.868 20 30 CFEDMN Cc1nc(CSc2ccc(C#N)cc2Cl)n[nH]1 ZINC000336547525 380450202 /nfs/dbraw/zinc/45/02/02/380450202.db2.gz ATZIBXBKKMXMFW-UHFFFAOYSA-N 0 1 264.741 2.931 20 30 CFEDMN C=CCCCNC(=O)[C@H]1CCCN1Cc1ccccc1 ZINC000279101409 194285038 /nfs/dbraw/zinc/28/50/38/194285038.db2.gz CQYNQPSVLOVTKU-MRXNPFEDSA-N 0 1 272.392 2.733 20 30 CFEDMN C[C@H](C(=O)N[C@H]1CCCc2cn[nH]c21)c1cccc(C#N)c1 ZINC000336564963 380474270 /nfs/dbraw/zinc/47/42/70/380474270.db2.gz MVBVFKPXQVPULT-NHYWBVRUSA-N 0 1 294.358 2.579 20 30 CFEDMN Cc1cc(C)c(C#N)c(SCc2n[nH]c(C3CC3)n2)n1 ZINC000179647234 380566169 /nfs/dbraw/zinc/56/61/69/380566169.db2.gz ZQPVNVRTZARJEA-UHFFFAOYSA-N 0 1 285.376 2.858 20 30 CFEDMN CC(C)(C#N)C(=O)Nc1ccc2nc(C(F)F)[nH]c2c1 ZINC000179855811 380587692 /nfs/dbraw/zinc/58/76/92/380587692.db2.gz OZCQDRQJZOYGLG-UHFFFAOYSA-N 0 1 278.262 2.989 20 30 CFEDMN CC(C)(C)OC(=O)[C@H]1CCN(Cc2cc(C#N)cs2)C1 ZINC000179964623 380603266 /nfs/dbraw/zinc/60/32/66/380603266.db2.gz FSYMIIDJXZOGIR-LBPRGKRZSA-N 0 1 292.404 2.783 20 30 CFEDMN C=CCCC[C@@H](C)NC(=O)N[C@H](C)Cc1cc(C)[nH]n1 ZINC000180964904 380718740 /nfs/dbraw/zinc/71/87/40/380718740.db2.gz RSFFEFPXEUBUIH-VXGBXAGGSA-N 0 1 278.400 2.693 20 30 CFEDMN N#Cc1ccc(CNC[C@@H]2COC3(CCCCCC3)O2)o1 ZINC000181094552 380737838 /nfs/dbraw/zinc/73/78/38/380737838.db2.gz WYWKEJRWVVMYOC-OAHLLOKOSA-N 0 1 290.363 2.707 20 30 CFEDMN CCN1C[C@H](C)N(Cc2ccc(C#N)s2)C[C@H]1C ZINC000353820065 380876334 /nfs/dbraw/zinc/87/63/34/380876334.db2.gz QXGDDCRDSNURFR-NEPJUHHUSA-N 0 1 263.410 2.534 20 30 CFEDMN C[C@@H](NCC(=O)NC1(C#N)CCC1)c1cccc(Cl)c1 ZINC000347012541 380877278 /nfs/dbraw/zinc/87/72/78/380877278.db2.gz SJHOCGSQLQUHPD-LLVKDONJSA-N 0 1 291.782 2.553 20 30 CFEDMN C=C(CC)CN1CCN([C@@H](C)c2cccnc2)CC1 ZINC000358510937 380895731 /nfs/dbraw/zinc/89/57/31/380895731.db2.gz QJISSQIBBTUAHB-HNNXBMFYSA-N 0 1 259.397 2.726 20 30 CFEDMN C=C(CC)CN1CCCN(C(=O)c2ccccc2F)CC1 ZINC000358511468 380896596 /nfs/dbraw/zinc/89/65/96/380896596.db2.gz RRMZIJYTLFVEGD-UHFFFAOYSA-N 0 1 290.382 2.940 20 30 CFEDMN C[C@H](NCCOCC1CC1)c1ccc(C#N)cc1F ZINC000358569973 380937905 /nfs/dbraw/zinc/93/79/05/380937905.db2.gz MWQJLMAAUKJZNQ-NSHDSACASA-N 0 1 262.328 2.775 20 30 CFEDMN C=CCN(Cc1cccs1)[C@@H](C)c1n[nH]c(C)n1 ZINC000411141409 381011144 /nfs/dbraw/zinc/01/11/44/381011144.db2.gz VMIYQPZLSIBPTQ-JTQLQIEISA-N 0 1 262.382 2.924 20 30 CFEDMN C[C@@H](CCC#N)N1CCN(Cc2cccc(F)c2)CC1 ZINC000411324594 381024031 /nfs/dbraw/zinc/02/40/31/381024031.db2.gz LBHNKETWPVPLLB-AWEZNQCLSA-N 0 1 275.371 2.636 20 30 CFEDMN N#CC1(CCN2CCO[C@H](C3CC3)C2)CCCCC1 ZINC000411561576 381032136 /nfs/dbraw/zinc/03/21/36/381032136.db2.gz MLJJKWUQXCNGFQ-HNNXBMFYSA-N 0 1 262.397 2.961 20 30 CFEDMN CCC[C@H](C)N1CCN(c2snc(C)c2C#N)CC1 ZINC000289568604 381047353 /nfs/dbraw/zinc/04/73/53/381047353.db2.gz VLQGEFDLPJQKLQ-NSHDSACASA-N 0 1 278.425 2.634 20 30 CFEDMN C=C[C@H](CO)N[C@@H](C)c1cc(C)ccc1OC(F)F ZINC000289574294 381049806 /nfs/dbraw/zinc/04/98/06/381049806.db2.gz BCPPQSDFJNKKNJ-WDEREUQCSA-N 0 1 271.307 2.794 20 30 CFEDMN CC[C@H](NCc1ccc(F)cc1C#N)[C@@H]1CCCO1 ZINC000182330908 381066469 /nfs/dbraw/zinc/06/64/69/381066469.db2.gz HRJOCGQVMHTZKZ-GJZGRUSLSA-N 0 1 262.328 2.745 20 30 CFEDMN CN(Cc1cc(-n2ccnc2)cs1)CC(C)(C)C#N ZINC000354039122 381037954 /nfs/dbraw/zinc/03/79/54/381037954.db2.gz MUJAOXNBTOTDLX-UHFFFAOYSA-N 0 1 274.393 2.915 20 30 CFEDMN C=C[C@H](CO)N[C@@H]1C[C@H](C)Sc2sccc21 ZINC000289647517 381083464 /nfs/dbraw/zinc/08/34/64/381083464.db2.gz GBIZHCONEWKHMS-IQJOONFLSA-N 0 1 255.408 2.810 20 30 CFEDMN C=C(CC)C[N@H+]1CCN(C(C)=O)C2(CCCCC2)C1 ZINC000358811342 381099582 /nfs/dbraw/zinc/09/95/82/381099582.db2.gz AUKWNHXSYBXQBG-UHFFFAOYSA-N 0 1 264.413 2.820 20 30 CFEDMN C[C@H]1CC(C)(C)CN1CC(=O)Nc1cccc(C#N)c1 ZINC000412040786 381117924 /nfs/dbraw/zinc/11/79/24/381117924.db2.gz KOZLHQLZVOURHN-LBPRGKRZSA-N 0 1 271.364 2.617 20 30 CFEDMN C=CCN1C(=O)N=NC1SCc1ncc(Cl)s1 ZINC000358778050 381075372 /nfs/dbraw/zinc/07/53/72/381075372.db2.gz HCDDEXLUQRQKHF-UHFFFAOYSA-N 0 1 288.785 2.572 20 30 CFEDMN C=C(Br)CN1CCC2(CCOCC2)[C@H]1C ZINC000368812953 381141045 /nfs/dbraw/zinc/14/10/45/381141045.db2.gz AWTRGFCSBZJDEY-LLVKDONJSA-N 0 1 274.202 2.786 20 30 CFEDMN C=CCN(CC=C)C(=O)[C@H](C)N1CCC(F)(F)[C@@H](C)C1 ZINC000289788386 381157832 /nfs/dbraw/zinc/15/78/32/381157832.db2.gz MDLMDKWOVHOGPP-STQMWFEESA-N 0 1 286.366 2.553 20 30 CFEDMN C=CCN1CC[C@H](N(C)Cc2ccc3occc3c2)C1=O ZINC000289789568 381159050 /nfs/dbraw/zinc/15/90/50/381159050.db2.gz RSYDAUZEFAVJDX-HNNXBMFYSA-N 0 1 284.359 2.652 20 30 CFEDMN C=C[C@H](CO)NCc1cc(Br)c(Cl)s1 ZINC000289741025 381131345 /nfs/dbraw/zinc/13/13/45/381131345.db2.gz GUAQFYYWYADBCU-ZCFIWIBFSA-N 0 1 296.617 2.801 20 30 CFEDMN C=C[C@@H](CO)NCc1cc(Br)c(Cl)s1 ZINC000289741020 381131588 /nfs/dbraw/zinc/13/15/88/381131588.db2.gz GUAQFYYWYADBCU-LURJTMIESA-N 0 1 296.617 2.801 20 30 CFEDMN C#Cc1ccc(CN2CCC[C@H]([C@@H](O)C(F)(F)F)C2)cc1 ZINC000289801863 381166820 /nfs/dbraw/zinc/16/68/20/381166820.db2.gz SKDIPHDECUCPRZ-LSDHHAIUSA-N 0 1 297.320 2.803 20 30 CFEDMN CC(C)(C#N)CCCC[N@H+]1CCS[C@@H]2COCC[C@H]21 ZINC000369001378 381176765 /nfs/dbraw/zinc/17/67/65/381176765.db2.gz LNQWHNYWXHYNEP-ZIAGYGMSSA-N 0 1 282.453 2.913 20 30 CFEDMN CC(C)c1nc([C@@H]2CCCCN2c2ncccc2C#N)n[nH]1 ZINC000289901185 381209557 /nfs/dbraw/zinc/20/95/57/381209557.db2.gz XOJLJLBQUZGQNT-ZDUSSCGKSA-N 0 1 296.378 2.926 20 30 CFEDMN C[S@](=O)C[C@@H](NCc1cccc(C#N)c1)c1ccccc1 ZINC000183074928 381211220 /nfs/dbraw/zinc/21/12/20/381211220.db2.gz QCVZFYUKNQLXSG-UTKZUKDTSA-N 0 1 298.411 2.768 20 30 CFEDMN Cn1ccnc1[C@H](NCc1ccc(OCC#N)cc1)C1CC1 ZINC000183317947 381253191 /nfs/dbraw/zinc/25/31/91/381253191.db2.gz IGZVAMQMEQKGBZ-MRXNPFEDSA-N 0 1 296.374 2.563 20 30 CFEDMN C=CCc1ccccc1OC[C@H](O)CN1CCC(=C)CC1 ZINC000342217600 381221857 /nfs/dbraw/zinc/22/18/57/381221857.db2.gz WQVWUGTVYSTWDG-QGZVFWFLSA-N 0 1 287.403 2.807 20 30 CFEDMN CCCN(CCN1CCCC1)C(=O)c1sccc1C#N ZINC000342285761 381248061 /nfs/dbraw/zinc/24/80/61/381248061.db2.gz MRCORTLGUFLVNW-UHFFFAOYSA-N 0 1 291.420 2.568 20 30 CFEDMN CN(C)C[C@@H](NCc1ccc(C#N)o1)c1ccc(F)cc1 ZINC000290079831 381290575 /nfs/dbraw/zinc/29/05/75/381290575.db2.gz IUJYSGCPQPIGJZ-MRXNPFEDSA-N 0 1 287.338 2.683 20 30 CFEDMN CCC[C@]1(CO)CCN(Cc2ccc(C#N)s2)C1 ZINC000290098328 381298114 /nfs/dbraw/zinc/29/81/14/381298114.db2.gz HMOANYIHFMZXOU-AWEZNQCLSA-N 0 1 264.394 2.604 20 30 CFEDMN COc1cc([C@@H](C)NCc2ccc(C#N)cc2OC)ccn1 ZINC000347659438 381282247 /nfs/dbraw/zinc/28/22/47/381282247.db2.gz AMKOPLZHWREBRT-GFCCVEGCSA-N 0 1 297.358 2.821 20 30 CFEDMN C[C@H](C#N)CN[C@@H](C)CC(=O)Nc1cccc(Cl)c1 ZINC000183827332 381326587 /nfs/dbraw/zinc/32/65/87/381326587.db2.gz CHDSILQYPIQEIZ-MNOVXSKESA-N 0 1 279.771 2.806 20 30 CFEDMN Cc1cccc(NC(=O)C[C@H](C)NC[C@@H](C)C#N)c1C ZINC000183840520 381328114 /nfs/dbraw/zinc/32/81/14/381328114.db2.gz YPBJLHYCZVKSAF-AAEUAGOBSA-N 0 1 273.380 2.770 20 30 CFEDMN COc1ncc(C(=O)C(C#N)c2ccccn2)cc1Cl ZINC000342444224 381335472 /nfs/dbraw/zinc/33/54/72/381335472.db2.gz XAQWKKYGLXVYMJ-JTQLQIEISA-N 0 1 287.706 2.629 20 30 CFEDMN CCCCCCCN1CC[C@H](OC)C[C@@H]1C(=O)OC ZINC000370229702 381410012 /nfs/dbraw/zinc/41/00/12/381410012.db2.gz DIEIZGLZAOJFPO-UONOGXRCSA-N 0 1 271.401 2.609 20 30 CFEDMN C=CC[N@@H+](CCc1ccccc1)Cc1n[nH]cc1C ZINC000290398040 381411974 /nfs/dbraw/zinc/41/19/74/381411974.db2.gz KDCVFSAIEIAOKG-UHFFFAOYSA-N 0 1 255.365 2.949 20 30 CFEDMN C=CCCCN1CCN([C@@H](C)c2nccs2)CC1 ZINC000184590819 381442329 /nfs/dbraw/zinc/44/23/29/381442329.db2.gz LASWTLSSPATOEW-ZDUSSCGKSA-N 0 1 265.426 2.788 20 30 CFEDMN C[C@@H](CNc1cccnc1C#N)N1CCc2sccc2C1 ZINC000290540340 381472335 /nfs/dbraw/zinc/47/23/35/381472335.db2.gz PFRRIMYWFRZZON-LBPRGKRZSA-N 0 1 298.415 2.873 20 30 CFEDMN CCOc1ccc(C#N)cc1NC(=O)C12CCCN1CCC2 ZINC000370643157 381481592 /nfs/dbraw/zinc/48/15/92/381481592.db2.gz RHMXXXUAOZVLDC-UHFFFAOYSA-N 0 1 299.374 2.524 20 30 CFEDMN CC1(C)CC[C@@H](CN2CCN(c3ccccc3C#N)CC2)O1 ZINC000184652995 381453724 /nfs/dbraw/zinc/45/37/24/381453724.db2.gz OQALSTBNHTXKOR-INIZCTEOSA-N 0 1 299.418 2.638 20 30 CFEDMN C=CCOCCCN1CCN(c2cc(F)ccc2F)CC1 ZINC000348042043 381454782 /nfs/dbraw/zinc/45/47/82/381454782.db2.gz FYUDIAQLYHMFCA-UHFFFAOYSA-N 0 1 296.361 2.680 20 30 CFEDMN C=CCN1C(=O)N=NC1SCCCc1ccccc1 ZINC000348133687 381464586 /nfs/dbraw/zinc/46/45/86/381464586.db2.gz XRJCHBQLYQGKSH-UHFFFAOYSA-N 0 1 275.377 2.895 20 30 CFEDMN CCCn1cc[nH+]c1CCC[N@H+](C)Cc1ccc(C#N)o1 ZINC000290582053 381487028 /nfs/dbraw/zinc/48/70/28/381487028.db2.gz URWVAQNFMQMPES-UHFFFAOYSA-N 0 1 286.379 2.822 20 30 CFEDMN CN1Cc2ccccc2[C@H](NCc2ccc(C#N)s2)C1 ZINC000371090498 381545743 /nfs/dbraw/zinc/54/57/43/381545743.db2.gz VGSKJOOFHVLKOG-MRXNPFEDSA-N 0 1 283.400 2.896 20 30 CFEDMN CCN(CCC1CC1)CC(=O)Nc1ccc(C#N)cc1 ZINC000355038465 381578001 /nfs/dbraw/zinc/57/80/01/381578001.db2.gz MTLAKBQKOAJFOM-UHFFFAOYSA-N 0 1 271.364 2.619 20 30 CFEDMN Cc1cn[nH]c1CNc1ccc(OC(C)C)c(C#N)c1 ZINC000290893679 381588723 /nfs/dbraw/zinc/58/87/23/381588723.db2.gz NFQZMPOFTPHWGJ-UHFFFAOYSA-N 0 1 270.336 2.989 20 30 CFEDMN C#CCC(C)(C)C(=O)NC[C@@H](c1ccco1)N(CC)CC ZINC000185297275 381589499 /nfs/dbraw/zinc/58/94/99/381589499.db2.gz CAAOJEKKHBQSGB-AWEZNQCLSA-N 0 1 290.407 2.828 20 30 CFEDMN CCc1c(C(=O)[C@H](C#N)c2nc(C)cs2)ccn1C ZINC000355113670 381621450 /nfs/dbraw/zinc/62/14/50/381621450.db2.gz CEPAXUWMYSMLLI-NSHDSACASA-N 0 1 273.361 2.843 20 30 CFEDMN CCc1c(C(=O)C(C#N)c2nc(C)cs2)ccn1C ZINC000355113670 381621455 /nfs/dbraw/zinc/62/14/55/381621455.db2.gz CEPAXUWMYSMLLI-NSHDSACASA-N 0 1 273.361 2.843 20 30 CFEDMN OC[C@@]1(c2ccccc2)CCN(CC#Cc2ccccc2)C1 ZINC000291150377 381684480 /nfs/dbraw/zinc/68/44/80/381684480.db2.gz AHHUJFGGSBVIRX-HXUWFJFHSA-N 0 1 291.394 2.674 20 30 CFEDMN CCN(Cc1cnn(C)c1)Cc1ccc(CC#N)cc1 ZINC000343425038 381700950 /nfs/dbraw/zinc/70/09/50/381700950.db2.gz YMLKIVOYDRHTRN-UHFFFAOYSA-N 0 1 268.364 2.508 20 30 CFEDMN N#CCCCC[N@H+]1CCO[C@@H](C2CCCCC2)C1 ZINC000371789915 381701779 /nfs/dbraw/zinc/70/17/79/381701779.db2.gz UYKBLAPQJQODSE-OAHLLOKOSA-N 0 1 250.386 2.961 20 30 CFEDMN C=C(C)C[C@H](C)C(=O)Nc1cc(CN(C)C)ccn1 ZINC000185775682 381729948 /nfs/dbraw/zinc/72/99/48/381729948.db2.gz VJQRUOAMFSBXAR-LBPRGKRZSA-N 0 1 261.369 2.684 20 30 CFEDMN C[C@@H]1CCCCN1C(=O)CNC1(c2cccc(C#N)c2)CC1 ZINC000298701783 381718087 /nfs/dbraw/zinc/71/80/87/381718087.db2.gz AJEQOAKYKYIPKR-CQSZACIVSA-N 0 1 297.402 2.538 20 30 CFEDMN CC#CCCNCc1cn(-c2ccc(F)c(Cl)c2)nn1 ZINC000360969498 381797302 /nfs/dbraw/zinc/79/73/02/381797302.db2.gz SBXZRGURKPLYPR-UHFFFAOYSA-N 0 1 292.745 2.563 20 30 CFEDMN COc1ccc([N+](=O)[O-])cc1CN[C@H]1CCC[C@@H](C#N)C1 ZINC000185897170 381771493 /nfs/dbraw/zinc/77/14/93/381771493.db2.gz ZAZVPKDYAGKGAF-YPMHNXCESA-N 0 1 289.335 2.775 20 30 CFEDMN CN(C)Cc1cnc(/C=C/c2ccc(C#N)cn2)s1 ZINC000349115029 381826474 /nfs/dbraw/zinc/82/64/74/381826474.db2.gz WIXSWVOFCIJJLG-AATRIKPKSA-N 0 1 270.361 2.642 20 30 CFEDMN C[C@@H](C#N)CN(CCCC1CCOCC1)C1CC1 ZINC000361460231 381831823 /nfs/dbraw/zinc/83/18/23/381831823.db2.gz TZPCHWVJNYGSMJ-ZDUSSCGKSA-N 0 1 250.386 2.817 20 30 CFEDMN C=CCOCCN(Cc1cccc([N+](=O)[O-])c1)C1CC1 ZINC000292789602 381836720 /nfs/dbraw/zinc/83/67/20/381836720.db2.gz LIYXLEPJJQFEAP-UHFFFAOYSA-N 0 1 276.336 2.762 20 30 CFEDMN C=CCN1CC[C@@H](N(C)Cc2cccc(CCC)c2)C1=O ZINC000343609117 381838346 /nfs/dbraw/zinc/83/83/46/381838346.db2.gz WKSKJKMKLHIBMW-QGZVFWFLSA-N 0 1 286.419 2.858 20 30 CFEDMN C#CCN1CCC(C(=O)N(C)[C@H](C)c2ccc(C)cc2)CC1 ZINC000299150890 381843303 /nfs/dbraw/zinc/84/33/03/381843303.db2.gz MGYNVGSYIWEJTN-MRXNPFEDSA-N 0 1 298.430 2.860 20 30 CFEDMN C[C@@H]1CN(CC2(C#N)CC2)[C@H](C)CN1Cc1ccccc1 ZINC000343576086 381809987 /nfs/dbraw/zinc/80/99/87/381809987.db2.gz BAFSZODBTLEGPK-HZPDHXFCSA-N 0 1 283.419 2.885 20 30 CFEDMN Cc1ncccc1O[C@@H]1CCN(Cc2ccc(C#N)s2)C1 ZINC000372817117 381876056 /nfs/dbraw/zinc/87/60/56/381876056.db2.gz XJSBRCGYKNQDOF-CYBMUJFWSA-N 0 1 299.399 2.977 20 30 CFEDMN Cc1ncccc1O[C@@H]1CCN(CC#Cc2ccccc2)C1 ZINC000372832963 381876960 /nfs/dbraw/zinc/87/69/60/381876960.db2.gz YIIJHIYGYIUEHT-GOSISDBHSA-N 0 1 292.382 2.895 20 30 CFEDMN CCN(CC#Cc1cccc(Cl)c1)[C@@H]1CCOC1 ZINC000361593577 381849301 /nfs/dbraw/zinc/84/93/01/381849301.db2.gz ZUCSCSUAUSIBLR-OAHLLOKOSA-N 0 1 263.768 2.802 20 30 CFEDMN C=CCCC1(C(=O)N2C[C@H]3CCCCN3C[C@H]2C)CC1 ZINC000361714423 381859083 /nfs/dbraw/zinc/85/90/83/381859083.db2.gz PPLCDTNYNSCSCC-HUUCEWRRSA-N 0 1 276.424 2.818 20 30 CFEDMN C=C(C)CN1CCN(CCOc2ccccc2Cl)CC1 ZINC000054422050 412955452 /nfs/dbraw/zinc/95/54/52/412955452.db2.gz TVZARRIPWDPNRS-UHFFFAOYSA-N 0 1 294.826 2.913 20 30 CFEDMN CN(Cc1cc(C#N)cs1)Cc1ccc(O)cc1 ZINC000349422912 381930882 /nfs/dbraw/zinc/93/08/82/381930882.db2.gz WKMICGGTSJDBGW-UHFFFAOYSA-N 0 1 258.346 2.957 20 30 CFEDMN N#Cc1ccccc1CN1CCSC2(CCOCC2)C1 ZINC000186485677 381924256 /nfs/dbraw/zinc/92/42/56/381924256.db2.gz FWYUAFBFLRSLOU-UHFFFAOYSA-N 0 1 288.416 2.656 20 30 CFEDMN CC#CCN1CCC[C@@H](c2nc(C(F)(F)F)cn2C)C1 ZINC000343779909 381936323 /nfs/dbraw/zinc/93/63/23/381936323.db2.gz NDCDFDZOEPHKHB-LLVKDONJSA-N 0 1 285.313 2.642 20 30 CFEDMN COCCCN(C)Cc1ccc(Cl)cc1C#N ZINC000186764987 382006738 /nfs/dbraw/zinc/00/67/38/382006738.db2.gz MSZPMGBLDHBFJL-UHFFFAOYSA-N 0 1 252.745 2.680 20 30 CFEDMN C=CCN(CCc1ccco1)Cc1cc(C)ncn1 ZINC000293075528 381981461 /nfs/dbraw/zinc/98/14/61/381981461.db2.gz HIKKBEYZWWTCMX-UHFFFAOYSA-N 0 1 257.337 2.609 20 30 CFEDMN C=CCCOCCN[C@H](c1ccccc1)c1cncnc1 ZINC000349773878 381988462 /nfs/dbraw/zinc/98/84/62/381988462.db2.gz HAERYMOLUILQBF-QGZVFWFLSA-N 0 1 283.375 2.748 20 30 CFEDMN CC#CCN(C)C[C@H](O)c1ccccc1C(F)(F)F ZINC000293242575 382043905 /nfs/dbraw/zinc/04/39/05/382043905.db2.gz SVPGERUKPZLXIW-ZDUSSCGKSA-N 0 1 271.282 2.694 20 30 CFEDMN C=C(C)CCN1CCN(CC(F)(F)F)[C@H](C)C1 ZINC000351731881 382060236 /nfs/dbraw/zinc/06/02/36/382060236.db2.gz YEVCZMCXCKSSKF-LLVKDONJSA-N 0 1 250.308 2.521 20 30 CFEDMN C=C(C)CN(C)CC(=O)N(C)[C@@H](C)c1ccccc1OC ZINC000351027976 382021594 /nfs/dbraw/zinc/02/15/94/382021594.db2.gz NRMHMKXXTICQPZ-AWEZNQCLSA-N 0 1 290.407 2.723 20 30 CFEDMN C=CCC(C)(C)c1noc(CCc2nc3ccncc3[nH]2)n1 ZINC000351144202 382030263 /nfs/dbraw/zinc/03/02/63/382030263.db2.gz DLCWIVHSQXGWPM-UHFFFAOYSA-N 0 1 297.362 2.980 20 30 CFEDMN C=CCC(C)(C)c1noc(CCc2nc3cnccc3[nH]2)n1 ZINC000351144202 382030273 /nfs/dbraw/zinc/03/02/73/382030273.db2.gz DLCWIVHSQXGWPM-UHFFFAOYSA-N 0 1 297.362 2.980 20 30 CFEDMN CCN(Cc1ccc(Br)cc1C#N)[C@@H](C)CO ZINC000293405668 382110993 /nfs/dbraw/zinc/11/09/93/382110993.db2.gz MBCVDBZDMVNJQV-JTQLQIEISA-N 0 1 297.196 2.523 20 30 CFEDMN CC[C@](C)(C#N)C(=O)NCC1(C)CN(Cc2ccccc2)C1 ZINC000376008232 382115495 /nfs/dbraw/zinc/11/54/95/382115495.db2.gz KTVICQDPOITCMQ-GOSISDBHSA-N 0 1 299.418 2.565 20 30 CFEDMN C=CCOc1ccc(CNCc2cncn2CC)cc1 ZINC000418050459 382119076 /nfs/dbraw/zinc/11/90/76/382119076.db2.gz PEDLSCQVLXAMMZ-UHFFFAOYSA-N 0 1 271.364 2.758 20 30 CFEDMN Cc1n[nH]cc1C1CCN(Cc2ccc(C#N)o2)CC1 ZINC000375265181 382073533 /nfs/dbraw/zinc/07/35/33/382073533.db2.gz FYVZTQUOMFQIAP-UHFFFAOYSA-N 0 1 270.336 2.562 20 30 CFEDMN CC(C)(C#N)CCCCN1CCO[C@H]([C@H]2CCCO2)C1 ZINC000375402463 382084803 /nfs/dbraw/zinc/08/48/03/382084803.db2.gz HRTYWPYBGDSMHP-CABCVRRESA-N 0 1 280.412 2.586 20 30 CFEDMN Cc1n[nH]c(C2CCN(c3cccc(F)c3C#N)CC2)n1 ZINC000301139579 382091644 /nfs/dbraw/zinc/09/16/44/382091644.db2.gz CNRRORXBEVLVOP-UHFFFAOYSA-N 0 1 285.326 2.508 20 30 CFEDMN Cc1nnc(C2CCN(c3cccc(F)c3C#N)CC2)[nH]1 ZINC000301139579 382091650 /nfs/dbraw/zinc/09/16/50/382091650.db2.gz CNRRORXBEVLVOP-UHFFFAOYSA-N 0 1 285.326 2.508 20 30 CFEDMN C[C@@H]1CCCC[N@H+]1CCNc1ccc(F)cc1C#N ZINC000301332124 382150888 /nfs/dbraw/zinc/15/08/88/382150888.db2.gz BSFFQDLYGRMSPX-GFCCVEGCSA-N 0 1 261.344 2.984 20 30 CFEDMN CNc1ccc(C#N)cc1NC(=O)c1cn[nH]c1C(C)(C)C ZINC000293653545 382216925 /nfs/dbraw/zinc/21/69/25/382216925.db2.gz OVXWFWQVNBXJMW-UHFFFAOYSA-N 0 1 297.362 2.873 20 30 CFEDMN COCCN(Cc1nc(C#N)cs1)[C@@H]1CCC[C@H]1C ZINC000419308573 382278598 /nfs/dbraw/zinc/27/85/98/382278598.db2.gz PDQZGJYLSLMIML-DGCLKSJQSA-N 0 1 279.409 2.652 20 30 CFEDMN C=C(C)CN(CCOCC1CCC1)Cc1ccc(CO)o1 ZINC000419271558 382266035 /nfs/dbraw/zinc/26/60/35/382266035.db2.gz FUOMBDGABZLKEU-UHFFFAOYSA-N 0 1 293.407 2.967 20 30 CFEDMN C=CCOc1cccc(NC(=O)NCc2cn[nH]c2C)c1 ZINC000352394440 382306263 /nfs/dbraw/zinc/30/62/63/382306263.db2.gz OJFKRUKEHNKDAJ-UHFFFAOYSA-N 0 1 286.335 2.605 20 30 CFEDMN CC(C)NC(=O)C(C#N)c1ncc(C(C)(C)C)s1 ZINC000419831300 382323520 /nfs/dbraw/zinc/32/35/20/382323520.db2.gz HLDPBOVGCDHTEK-SECBINFHSA-N 0 1 265.382 2.572 20 30 CFEDMN CC(C)(C#N)CC[N@H+]1CCC[C@H](c2nc(C3CC3)n[nH]2)C1 ZINC000345959808 382325329 /nfs/dbraw/zinc/32/53/29/382325329.db2.gz ZGRKUCRNXGYNTA-ZDUSSCGKSA-N 0 1 287.411 2.801 20 30 CFEDMN Cc1cc2[nH]ncc2cc1Nc1ncc([N+](=O)[O-])cc1C#N ZINC000357740074 382300242 /nfs/dbraw/zinc/30/02/42/382300242.db2.gz BBZBEKKRPMRREK-UHFFFAOYSA-N 0 1 294.274 2.790 20 30 CFEDMN C=CCN(CCc1ccco1)C(=O)[C@H]1CCCc2c[nH]nc21 ZINC000364981150 382359309 /nfs/dbraw/zinc/35/93/09/382359309.db2.gz DIMICXRTIFURHT-HNNXBMFYSA-N 0 1 299.374 2.680 20 30 CFEDMN C=CCC(C)(C)CNC(=O)[C@H]1CCCc2[nH]ncc21 ZINC000352489105 382362277 /nfs/dbraw/zinc/36/22/77/382362277.db2.gz XVIGNYFKJCCHGO-NSHDSACASA-N 0 1 261.369 2.548 20 30 CFEDMN N#Cc1ccc(CN2CCC[C@@H](c3ccncn3)C2)cc1F ZINC000365265809 382368711 /nfs/dbraw/zinc/36/87/11/382368711.db2.gz JFIXICPOMSRWPQ-OAHLLOKOSA-N 0 1 296.349 2.867 20 30 CFEDMN N#Cc1ccc(CN2CCC(c3cn[nH]c3)CC2)cc1F ZINC000365272623 382370518 /nfs/dbraw/zinc/37/05/18/382370518.db2.gz XMXVGGCELSHBGE-UHFFFAOYSA-N 0 1 284.338 2.800 20 30 CFEDMN C[C@@H](NCCOCC(F)F)c1ccc(C#N)cc1F ZINC000346514556 382391534 /nfs/dbraw/zinc/39/15/34/382391534.db2.gz BIXUBMUERWRFAS-SECBINFHSA-N 0 1 272.270 2.630 20 30 CFEDMN C[C@H](C1CC1)n1nccc1NC(=O)c1ccc(C#N)c(O)c1 ZINC000188495346 382424427 /nfs/dbraw/zinc/42/44/27/382424427.db2.gz LIKADSWWGWOMSI-SNVBAGLBSA-N 0 1 296.330 2.684 20 30 CFEDMN CC(C)(C)Cc1cc(NC(=O)c2ccc(C#N)c(O)c2)n[nH]1 ZINC000188542314 382432336 /nfs/dbraw/zinc/43/23/36/382432336.db2.gz SLYAHRGRXPHOLV-UHFFFAOYSA-N 0 1 298.346 2.828 20 30 CFEDMN C[C@H](C(=O)Nc1ccccc1C#N)N1CC[C@H](C2CC2)C1 ZINC000378317985 382433543 /nfs/dbraw/zinc/43/35/43/382433543.db2.gz MERQSRPLKNPSJA-DOMZBBRYSA-N 0 1 283.375 2.617 20 30 CFEDMN N#Cc1ccc2ncc(CN3C[C@@H]4CCCCC[C@H]43)n2c1 ZINC000378344746 382440258 /nfs/dbraw/zinc/44/02/58/382440258.db2.gz CFWDWBQOMSDBPM-GOEBONIOSA-N 0 1 280.375 2.970 20 30 CFEDMN N#Cc1ccc(N2CCC[C@@H](c3nc[nH]n3)C2)cc1Cl ZINC000378217188 382420491 /nfs/dbraw/zinc/42/04/91/382420491.db2.gz JLXRZMBCXIMEBH-LLVKDONJSA-N 0 1 287.754 2.714 20 30 CFEDMN C=CCCCCCN1C[C@@H](CC)[S@@](=O)[C@@H](C)C1 ZINC000352902062 382481177 /nfs/dbraw/zinc/48/11/77/382481177.db2.gz ZHPAWJGOCQGHJD-VBQJREDUSA-N 0 1 257.443 2.964 20 30 CFEDMN C=CCN1C(=O)N=NC1SCCCCOC(C)(C)C ZINC000352910555 382482741 /nfs/dbraw/zinc/48/27/41/382482741.db2.gz FHYOVAXCPDFZMN-UHFFFAOYSA-N 0 1 285.413 2.857 20 30 CFEDMN C=CCN(CCc1ccco1)Cc1cnn(CC)c1 ZINC000352932128 382484651 /nfs/dbraw/zinc/48/46/51/382484651.db2.gz PBLFQDVSMRAKSA-UHFFFAOYSA-N 0 1 259.353 2.727 20 30 CFEDMN FC(F)OC[C@H]1CCN(CC#Cc2ccccc2)C1 ZINC000353033671 382490308 /nfs/dbraw/zinc/49/03/08/382490308.db2.gz ZRANYZIQBICSTN-AWEZNQCLSA-N 0 1 265.303 2.599 20 30 CFEDMN C=CCOc1ccccc1CN(C)CCc1noc(C)n1 ZINC000353066596 382490456 /nfs/dbraw/zinc/49/04/56/382490456.db2.gz WPSDUVQEFADJMY-UHFFFAOYSA-N 0 1 287.363 2.617 20 30 CFEDMN COC[C@@]1(C)CCN(Cc2cccc(C#N)c2F)C1 ZINC000381377639 382519770 /nfs/dbraw/zinc/51/97/70/382519770.db2.gz OLFHWJREKLNXGU-HNNXBMFYSA-N 0 1 262.328 2.556 20 30 CFEDMN C=C[C@@H](CO)N[C@@H]1CC2(CCC2)Oc2ccccc21 ZINC000353565836 382561866 /nfs/dbraw/zinc/56/18/66/382561866.db2.gz KTJPEHGBFCUQOF-GXTWGEPZSA-N 0 1 259.349 2.569 20 30 CFEDMN CC(C)[C@@H](NCCC(C)(C)C#N)c1nnc2ccccn21 ZINC000346933741 382577533 /nfs/dbraw/zinc/57/75/33/382577533.db2.gz BOMIUABLEHMIOO-CQSZACIVSA-N 0 1 285.395 2.956 20 30 CFEDMN Cc1sccc1CN1CCN(c2ccc(C#N)cn2)CC1 ZINC000294853169 382533640 /nfs/dbraw/zinc/53/36/40/382533640.db2.gz IYQJLQSVBAICSK-UHFFFAOYSA-N 0 1 298.415 2.645 20 30 CFEDMN C=CCC[C@H](CO)NCc1ccsc1Br ZINC000320197563 382536079 /nfs/dbraw/zinc/53/60/79/382536079.db2.gz CBRDCOTWUQMJJJ-SNVBAGLBSA-N 0 1 290.226 2.927 20 30 CFEDMN Cc1cc(C)c(CNCc2ccc(C#N)s2)cn1 ZINC000397030025 382632580 /nfs/dbraw/zinc/63/25/80/382632580.db2.gz PMDSNCFDTSEQAF-UHFFFAOYSA-N 0 1 257.362 2.921 20 30 CFEDMN Cc1cncc(CN(C)Cc2cccc(C#N)c2)c1 ZINC000189760642 382639954 /nfs/dbraw/zinc/63/99/54/382639954.db2.gz DUPGFOZOJLLSKQ-UHFFFAOYSA-N 0 1 251.333 2.894 20 30 CFEDMN Cn1cc(CNCc2nccc3ccccc32)cc1C#N ZINC000190891933 382684030 /nfs/dbraw/zinc/68/40/30/382684030.db2.gz HQZYPJOQRDCHIL-UHFFFAOYSA-N 0 1 276.343 2.735 20 30 CFEDMN Cn1cc(CN[C@@H](c2ccccc2)[C@@H]2CCCO2)cc1C#N ZINC000190900339 382684197 /nfs/dbraw/zinc/68/41/97/382684197.db2.gz OMJICHDJELPZSD-ROUUACIJSA-N 0 1 295.386 2.907 20 30 CFEDMN C[C@@H]1CC(O)C[C@H](C)N1CC#Cc1cccc(Cl)c1 ZINC000191149525 382693025 /nfs/dbraw/zinc/69/30/25/382693025.db2.gz FRRSIXDEWRSTSS-OCZCAGDBSA-N 0 1 277.795 2.925 20 30 CFEDMN C[C@@H]1CC(O)C[C@@H](C)N1CC#Cc1ccc(Cl)cc1 ZINC000191187826 382694881 /nfs/dbraw/zinc/69/48/81/382694881.db2.gz NIABHMTXUZCQOR-CHWSQXEVSA-N 0 1 277.795 2.925 20 30 CFEDMN C=CCN(CCOC)Cc1ccc(Oc2cnccn2)cc1 ZINC000191758053 382702432 /nfs/dbraw/zinc/70/24/32/382702432.db2.gz QUIJCIHNINRMLC-UHFFFAOYSA-N 0 1 299.374 2.903 20 30 CFEDMN C=CCN(CCOC)C(=O)c1cc(-c2ccc(C)cc2)[nH]n1 ZINC000191960794 382703701 /nfs/dbraw/zinc/70/37/01/382703701.db2.gz YLQLSMXLLQBHFR-UHFFFAOYSA-N 0 1 299.374 2.660 20 30 CFEDMN C(#Cc1ccccc1)CN1CCC(OC[C@H]2CCCO2)CC1 ZINC000192064212 382704592 /nfs/dbraw/zinc/70/45/92/382704592.db2.gz RIHFDUXAMXZXIT-LJQANCHMSA-N 0 1 299.414 2.698 20 30 CFEDMN C=C(C)CN1CCC(Nc2ncc([N+](=O)[O-])s2)CC1 ZINC000192451738 382709038 /nfs/dbraw/zinc/70/90/38/382709038.db2.gz KLUJRHDWGFCCRV-UHFFFAOYSA-N 0 1 282.369 2.504 20 30 CFEDMN C=CCOc1ccccc1CN[C@@H](C)c1ccnn1C ZINC000192853153 382713039 /nfs/dbraw/zinc/71/30/39/382713039.db2.gz YLDIJXAQRXUEPJ-ZDUSSCGKSA-N 0 1 271.364 2.836 20 30 CFEDMN COc1ccc(C=C(C)c2nc(C)c(C#N)c(=O)[nH]2)cc1F ZINC000193615096 382721547 /nfs/dbraw/zinc/72/15/47/382721547.db2.gz MJVWRLJVAYZNLC-RMKNXTFCSA-N 0 1 299.305 2.658 20 30 CFEDMN C=CCN1CC[C@H](N(CC)[C@@H](C)c2ccc(F)cc2)C1=O ZINC000337122502 382763672 /nfs/dbraw/zinc/76/36/72/382763672.db2.gz BHUWILYWZQRXTA-BBRMVZONSA-N 0 1 290.382 2.996 20 30 CFEDMN C=CCN1CC[C@@H](N[C@H](C)c2ccc(C)c(F)c2)C1=O ZINC000337172245 382770971 /nfs/dbraw/zinc/77/09/71/382770971.db2.gz FGKLFTMOUYKZKM-IUODEOHRSA-N 0 1 276.355 2.572 20 30 CFEDMN C=CCN1CC[C@H](N2CCC[C@@H]2/C=C\c2ccccc2)C1=O ZINC000337205783 382776682 /nfs/dbraw/zinc/77/66/82/382776682.db2.gz LFOVOYNIFGCCJR-LSSLULSBSA-N 0 1 296.414 2.951 20 30 CFEDMN C[C@H](NC[C@](C)(O)C(F)(F)F)c1ccc(C#N)cc1F ZINC000337206445 382776820 /nfs/dbraw/zinc/77/68/20/382776820.db2.gz MNPCIOMVYDQONJ-UFBFGSQYSA-N 0 1 290.260 2.661 20 30 CFEDMN CN(CC[N@@H+](C)C1CC1)c1ccc(C(F)(F)F)c(C#N)n1 ZINC000337006502 382751276 /nfs/dbraw/zinc/75/12/76/382751276.db2.gz BOPUGUHPTRFMJJ-UHFFFAOYSA-N 0 1 298.312 2.502 20 30 CFEDMN C[C@H](N[C@@H](C)c1cccnc1)C(=O)Nc1cccc(C#N)c1 ZINC000194721597 382753057 /nfs/dbraw/zinc/75/30/57/382753057.db2.gz QVTNJZOFEDMNHA-STQMWFEESA-N 0 1 294.358 2.631 20 30 CFEDMN C=CCCN1CCN(C(=O)C(C)(C)c2ccccc2)CC1 ZINC000337047087 382755495 /nfs/dbraw/zinc/75/54/95/382755495.db2.gz GODKDCYEYJHZEP-UHFFFAOYSA-N 0 1 286.419 2.685 20 30 CFEDMN COc1cc(CN2CCS[C@H](C)[C@@H]2C)ccc1C#N ZINC000234992421 382875802 /nfs/dbraw/zinc/87/58/02/382875802.db2.gz UPJKERJBPXKGQX-NWDGAFQWSA-N 0 1 276.405 2.893 20 30 CFEDMN COC(=O)c1cccc(CN2CC[C@@H](C)[C@H]2C)c1C#N ZINC000533760804 382910713 /nfs/dbraw/zinc/91/07/13/382910713.db2.gz HXSIZJDZZHAHJY-VXGBXAGGSA-N 0 1 272.348 2.575 20 30 CFEDMN CCN(C(=O)c1ccc(C#N)c(O)c1)c1cccc(OC)c1 ZINC000442659857 382942242 /nfs/dbraw/zinc/94/22/42/382942242.db2.gz RFPBOZDEBAVIHL-UHFFFAOYSA-N 0 1 296.326 2.939 20 30 CFEDMN Cc1c(NC(=O)c2ccc(C#N)c(O)c2)cnn1CC(C)C ZINC000442680797 382944698 /nfs/dbraw/zinc/94/46/98/382944698.db2.gz PXLNKBAGIGYICR-UHFFFAOYSA-N 0 1 298.346 2.677 20 30 CFEDMN Cc1c(C#N)cccc1C(=O)Nc1nc(C2CCC2)n[nH]1 ZINC000338181608 382945295 /nfs/dbraw/zinc/94/52/95/382945295.db2.gz PXWYNWOMKLIPMW-UHFFFAOYSA-N 0 1 281.319 2.505 20 30 CFEDMN Cc1c(C#N)cccc1C(=O)Nc1n[nH]c(C2CCC2)n1 ZINC000338181608 382945300 /nfs/dbraw/zinc/94/53/00/382945300.db2.gz PXWYNWOMKLIPMW-UHFFFAOYSA-N 0 1 281.319 2.505 20 30 CFEDMN CC(C)[C@H](N[C@@H]1CC[C@@H](C#N)C1)c1nnc2ccccn21 ZINC000442774017 382954609 /nfs/dbraw/zinc/95/46/09/382954609.db2.gz YBTWIVZGJFDPOA-NFAWXSAZSA-N 0 1 283.379 2.708 20 30 CFEDMN CN(Cc1nnc(-c2cccc(C#N)c2)o1)CC1CCC1 ZINC000441386769 382913545 /nfs/dbraw/zinc/91/35/45/382913545.db2.gz VAMMCBHANMRANM-UHFFFAOYSA-N 0 1 282.347 2.840 20 30 CFEDMN C[C@@H]1C[C@@H](CNC(=O)OC(C)(C)C)CN1CC1(C#N)CC1 ZINC000494714285 382923102 /nfs/dbraw/zinc/92/31/02/382923102.db2.gz ZCICHRDCNQMYRW-OLZOCXBDSA-N 0 1 293.411 2.525 20 30 CFEDMN COC(=O)c1cccc(CN2CCC[C@H](C)[C@@H]2C)c1C#N ZINC000534471074 382931771 /nfs/dbraw/zinc/93/17/71/382931771.db2.gz ZYMQANKOTRSCIG-STQMWFEESA-N 0 1 286.375 2.965 20 30 CFEDMN C[C@@H](C#N)CN(CCCO[C@@H]1CCCCO1)C1CC1 ZINC000338288736 382977229 /nfs/dbraw/zinc/97/72/29/382977229.db2.gz SIMCRGUNKOBKHS-DZGCQCFKSA-N 0 1 266.385 2.544 20 30 CFEDMN C[C@H](C#N)CN(CCCO[C@@H]1CCCCO1)C1CC1 ZINC000338288738 382977951 /nfs/dbraw/zinc/97/79/51/382977951.db2.gz SIMCRGUNKOBKHS-UKRRQHHQSA-N 0 1 266.385 2.544 20 30 CFEDMN C=CCN1CCN(c2cccc3cnccc32)C[C@@H]1C ZINC000447389311 382996025 /nfs/dbraw/zinc/99/60/25/382996025.db2.gz YOEXIMNTCFTMTP-AWEZNQCLSA-N 0 1 267.376 2.931 20 30 CFEDMN N#C[C@@H]1CCC[C@@H](NCc2nccn2CC(F)(F)F)C1 ZINC000447534265 382996838 /nfs/dbraw/zinc/99/68/38/382996838.db2.gz VYPKHTMDTVQDSF-GHMZBOCLSA-N 0 1 286.301 2.617 20 30 CFEDMN N#CCC1CC[NH+](Cc2nc(=O)c3sccc3[n-]2)CC1 ZINC000541951514 382968139 /nfs/dbraw/zinc/96/81/39/382968139.db2.gz GNJQTQCIDYWGGK-UHFFFAOYSA-N 0 1 288.376 2.523 20 30 CFEDMN Cc1cccc(NC(=O)[C@@H](C)N2CCC(CC#N)CC2)c1 ZINC000542881459 382970487 /nfs/dbraw/zinc/97/04/87/382970487.db2.gz GMYIUMJGGNQNLC-CQSZACIVSA-N 0 1 285.391 2.948 20 30 CFEDMN C[C@H]1CCSCCN1Cc1ccc(C#N)cc1[N+](=O)[O-] ZINC000579719581 383046832 /nfs/dbraw/zinc/04/68/32/383046832.db2.gz VZDKFTYRVJXQQL-NSHDSACASA-N 0 1 291.376 2.794 20 30 CFEDMN COc1ccnc(CN2CCC(CCC#N)CC2)c1 ZINC000579947258 383069000 /nfs/dbraw/zinc/06/90/00/383069000.db2.gz BXNWPHMKZHGHLV-UHFFFAOYSA-N 0 1 259.353 2.606 20 30 CFEDMN CCC[C@@H]1CCCN(CC(=O)N[C@](C)(C#N)C(C)C)C1 ZINC000246434593 383076225 /nfs/dbraw/zinc/07/62/25/383076225.db2.gz CYXJDRCRJWGIIZ-GDBMZVCRSA-N 0 1 279.428 2.553 20 30 CFEDMN CN([C@H]1CC1(C)C)[C@@H]1CCCN(c2ccc(C#N)cc2)C1=O ZINC000447878529 383020503 /nfs/dbraw/zinc/02/05/03/383020503.db2.gz MDTMRDOHFLUVKA-CVEARBPZSA-N 0 1 297.402 2.784 20 30 CFEDMN C[C@@H](CC#N)N(C)CC[C@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC000496921321 383127211 /nfs/dbraw/zinc/12/72/11/383127211.db2.gz ODSKNXPMJCHQEX-KBPBESRZSA-N 0 1 295.427 2.867 20 30 CFEDMN COc1ccccc1[C@@H](CNc1cnccc1C#N)N(C)C ZINC000339038339 383128657 /nfs/dbraw/zinc/12/86/57/383128657.db2.gz AKAUILLQMRDZDE-MRXNPFEDSA-N 0 1 296.374 2.677 20 30 CFEDMN C[C@@H]1Cc2ccccc2[C@@H]1NC[C@@H](C#N)CCC#N ZINC000582355237 383087203 /nfs/dbraw/zinc/08/72/03/383087203.db2.gz BNXIPYDAAKZUJV-XJKCOSOUSA-N 0 1 253.349 2.953 20 30 CFEDMN C[C@H](C(=O)Nc1ccccc1C#N)N1C[C@@H]2CCC[C@H]2C1 ZINC000246719114 383096703 /nfs/dbraw/zinc/09/67/03/383096703.db2.gz ACBHNRMRRNBISI-SNPRPXQTSA-N 0 1 283.375 2.617 20 30 CFEDMN COc1ccc(CCNC[C@H](C#N)CCC#N)c(Cl)c1 ZINC000584444638 383103034 /nfs/dbraw/zinc/10/30/34/383103034.db2.gz XFCPAYQKOZZECP-LBPRGKRZSA-N 0 1 291.782 2.924 20 30 CFEDMN CC(C)CC(=O)NC1CCN(Cc2cccc(C#N)c2)CC1 ZINC000586045068 383117644 /nfs/dbraw/zinc/11/76/44/383117644.db2.gz QPCAZRQPUWWWSD-UHFFFAOYSA-N 0 1 299.418 2.685 20 30 CFEDMN CC(C)C[C@@H](C)N(C)C(=O)CN1CCC(CCC#N)CC1 ZINC000564916985 383174349 /nfs/dbraw/zinc/17/43/49/383174349.db2.gz WBUPUFVGNKXZQU-OAHLLOKOSA-N 0 1 293.455 2.895 20 30 CFEDMN C=CCC[C@H](O)C[N@@H+](Cc1ccccc1)C[C@H](C)C(=O)[O-] ZINC000565106750 383175518 /nfs/dbraw/zinc/17/55/18/383175518.db2.gz LVUCZTCEUFOATL-HOCLYGCPSA-N 0 1 291.391 2.536 20 30 CFEDMN C=CCN1C(=O)N=NC1S[C@H]1CCC(C)(C)C1 ZINC000566210504 383185443 /nfs/dbraw/zinc/18/54/43/383185443.db2.gz WSMYMEBLTCDZRY-VIFPVBQESA-N 0 1 253.371 2.841 20 30 CFEDMN C=C(C)CC[N@@H+](CC(=O)[O-])Cc1ccc(F)cc1 ZINC000566363451 383186394 /nfs/dbraw/zinc/18/63/94/383186394.db2.gz LWWJWKZWEZGVQU-UHFFFAOYSA-N 0 1 251.301 2.679 20 30 CFEDMN C=CCCO[C@H](C)c1nc([C@@H](N)CC(C)C)no1 ZINC000339366206 383192273 /nfs/dbraw/zinc/19/22/73/383192273.db2.gz LWMBBXHHCGYVJI-MNOVXSKESA-N 0 1 253.346 2.769 20 30 CFEDMN Cc1cc(C)c(C#N)c(NC[C@H](c2ccco2)N(C)C)n1 ZINC000247987768 383204513 /nfs/dbraw/zinc/20/45/13/383204513.db2.gz KVDRQMPCXJVRSG-CQSZACIVSA-N 0 1 284.363 2.878 20 30 CFEDMN C=CCCCCN1CCSC[C@@H]1c1cnn(C)c1 ZINC000514840139 383155582 /nfs/dbraw/zinc/15/55/82/383155582.db2.gz NSUQVIISXUAGQH-CQSZACIVSA-N 0 1 265.426 2.866 20 30 CFEDMN CC1(C)C[C@@]1(C#N)NC(=O)c1cccc(C(F)(F)F)c1O ZINC000515071152 383157707 /nfs/dbraw/zinc/15/77/07/383157707.db2.gz QUGIEQPCMYXCRQ-ZDUSSCGKSA-N 0 1 298.264 2.833 20 30 CFEDMN C=CCCCCN1CCN(C(=O)C(C)(C)C)CC1 ZINC000562528907 383159119 /nfs/dbraw/zinc/15/91/19/383159119.db2.gz CHELUMYOTGSBSV-UHFFFAOYSA-N 0 1 252.402 2.533 20 30 CFEDMN N#CCC1(CNC(=O)c2cccc(C(F)(F)F)c2O)CC1 ZINC000516312550 383163988 /nfs/dbraw/zinc/16/39/88/383163988.db2.gz GDAMAPOVNOTOGO-UHFFFAOYSA-N 0 1 298.264 2.835 20 30 CFEDMN CC(C)C[C@@H]1OCCC[C@@H]1NC[C@@H](C#N)CCC#N ZINC000563014625 383164047 /nfs/dbraw/zinc/16/40/47/383164047.db2.gz ZNQUQLAVHFITLX-ILXRZTDVSA-N 0 1 263.385 2.613 20 30 CFEDMN CC(C)c1ncc(CN(C)[C@@H]2CC[C@@H](C#N)C2)cn1 ZINC000339154669 383168546 /nfs/dbraw/zinc/16/85/46/383168546.db2.gz AUQQHMXNCMLFQY-TZMCWYRMSA-N 0 1 258.369 2.724 20 30 CFEDMN N#C[C@@H]1CC[C@H](N[C@H](CO)c2cccc(Cl)c2F)C1 ZINC000339157518 383169677 /nfs/dbraw/zinc/16/96/77/383169677.db2.gz ZOMZLSYXMORCPM-GBIKHYSHSA-N 0 1 282.746 2.794 20 30 CFEDMN C=C[C@@H]1OCC[C@H]1C(=O)Nc1cccc(Cl)c1O ZINC000520504551 383259982 /nfs/dbraw/zinc/25/99/82/383259982.db2.gz XTSQTJFVJSRDEN-KCJUWKMLSA-N 0 1 267.712 2.575 20 30 CFEDMN N#C[C@H]1CC[C@@H](NCc2cccc(C(F)(F)F)n2)C1 ZINC000449403647 383267832 /nfs/dbraw/zinc/26/78/32/383267832.db2.gz XGMQUGNIDHNVMT-VHSXEESVSA-N 0 1 269.270 2.882 20 30 CFEDMN C=C(C)C(C)(C)C(=O)N1CC[N@H+]([C@@H]2C[C@H]2C)C[C@@H](C)C1 ZINC000424847456 383278673 /nfs/dbraw/zinc/27/86/73/383278673.db2.gz NIWTXAHCSPMIOU-RBSFLKMASA-N 0 1 278.440 2.777 20 30 CFEDMN N#Cc1ccc2c(c1)N(C(=O)c1cccc3[nH]ncc31)CC2 ZINC000339820737 383329640 /nfs/dbraw/zinc/32/96/40/383329640.db2.gz JAXBHEIOJAHSIX-UHFFFAOYSA-N 0 1 288.310 2.637 20 30 CFEDMN C=C(C)CN(CC)C(=O)NCc1nc2ccc(C)cc2[nH]1 ZINC000466787290 383345005 /nfs/dbraw/zinc/34/50/05/383345005.db2.gz MHQIMDKXGHAANM-UHFFFAOYSA-N 0 1 286.379 2.979 20 30 CFEDMN C=CCCCCCNC(=O)N1CCNC[C@@H]1CCC ZINC000521460773 383296562 /nfs/dbraw/zinc/29/65/62/383296562.db2.gz MBDSKWJSKMLTJG-AWEZNQCLSA-N 0 1 267.417 2.516 20 30 CFEDMN C=CCCC[N@H+](C)[C@H](C(=O)[O-])c1cccc(OC)c1 ZINC000634691149 383322947 /nfs/dbraw/zinc/32/29/47/383322947.db2.gz BEPHCTOLAZESMM-AWEZNQCLSA-N 0 1 263.337 2.719 20 30 CFEDMN CO[C@@H]1CN(Cc2cc(C#N)ccc2F)CC[C@H]1C ZINC000252019174 383404007 /nfs/dbraw/zinc/40/40/07/383404007.db2.gz YNBLECUXMCIOGG-IAQYHMDHSA-N 0 1 262.328 2.554 20 30 CFEDMN CCC(=O)N1CCCN([C@@H](C)c2cccc(C#N)c2)CC1 ZINC000525949083 383411300 /nfs/dbraw/zinc/41/13/00/383411300.db2.gz RPMDDVQIKQTNFI-AWEZNQCLSA-N 0 1 285.391 2.564 20 30 CFEDMN C=C[C@@H]1OCC[C@H]1NCc1nc2ccc(F)cc2s1 ZINC000449518717 383351726 /nfs/dbraw/zinc/35/17/26/383351726.db2.gz KOQYUYXUQWTCPN-PWSUYJOCSA-N 0 1 278.352 2.869 20 30 CFEDMN CC(C)(CCC#N)CN1CC[S@@](=O)C(C)(C)CC1 ZINC000449572271 383356930 /nfs/dbraw/zinc/35/69/30/383356930.db2.gz MTWCAVJMICDFHD-GOSISDBHSA-N 0 1 270.442 2.549 20 30 CFEDMN COC(=O)[C@H]1CCN(CC#Cc2cccc(Cl)c2)[C@@H]1C ZINC000469996067 383375029 /nfs/dbraw/zinc/37/50/29/383375029.db2.gz INNHUZXFRJBTOV-DOMZBBRYSA-N 0 1 291.778 2.575 20 30 CFEDMN C=C(C)C(C)(C)C(=O)N1C[C@H](C)N(CC)C[C@@H]1C ZINC000425570704 383385842 /nfs/dbraw/zinc/38/58/42/383385842.db2.gz MRMATLUFAHOYGY-STQMWFEESA-N 0 1 252.402 2.530 20 30 CFEDMN C=C(C)C(C)(C)C(=O)N1C[C@@H](C)N(CC)C[C@@H]1C ZINC000425570700 383385951 /nfs/dbraw/zinc/38/59/51/383385951.db2.gz MRMATLUFAHOYGY-OLZOCXBDSA-N 0 1 252.402 2.530 20 30 CFEDMN C=C(C)CN(C)CC(=O)N[C@H](C)Cc1c(F)cccc1F ZINC000481272787 383426051 /nfs/dbraw/zinc/42/60/51/383426051.db2.gz WOLFMWRSUPNHRS-GFCCVEGCSA-N 0 1 296.361 2.520 20 30 CFEDMN N#Cc1c(F)cccc1CN(C[C@H]1CCOC1)C1CC1 ZINC000428465050 383478954 /nfs/dbraw/zinc/47/89/54/383478954.db2.gz RCMFVASCINHCSV-GFCCVEGCSA-N 0 1 274.339 2.698 20 30 CFEDMN C=C(C)[C@H](NC[C@@H]1COCCO1)c1ccc(F)c(F)c1 ZINC000450776982 383488199 /nfs/dbraw/zinc/48/81/99/383488199.db2.gz LXZNKUPLQAJHJO-DOMZBBRYSA-N 0 1 283.318 2.587 20 30 CFEDMN Cc1cc(CN(C)Cc2cccnc2)ccc1C#N ZINC000488108571 383496403 /nfs/dbraw/zinc/49/64/03/383496403.db2.gz SXWZKGXRDXPSFU-UHFFFAOYSA-N 0 1 251.333 2.894 20 30 CFEDMN Cc1ccccc1CN(C)Cc1ccc(C#N)cn1 ZINC000569421842 383497537 /nfs/dbraw/zinc/49/75/37/383497537.db2.gz YKWWYSWJMSUHDS-UHFFFAOYSA-N 0 1 251.333 2.894 20 30 CFEDMN C[C@H](NCc1ccc(C#N)cn1)[C@@H]1OCCc2sccc21 ZINC000569500452 383507485 /nfs/dbraw/zinc/50/74/85/383507485.db2.gz JPJHKIOZYIHGKJ-ZBEGNZNMSA-N 0 1 299.399 2.807 20 30 CFEDMN Cc1nc2ccc(NC(=O)c3ccc(C#N)c(C)n3)cc2[nH]1 ZINC000340981065 383517207 /nfs/dbraw/zinc/51/72/07/383517207.db2.gz PQVNJIFVYANCQB-UHFFFAOYSA-N 0 1 291.314 2.699 20 30 CFEDMN C=CCN(Cc1ccccc1)C(=O)[C@@H]1CCCCN1C ZINC000635264103 383521619 /nfs/dbraw/zinc/52/16/19/383521619.db2.gz YGFMBWZETOOZAF-INIZCTEOSA-N 0 1 272.392 2.686 20 30 CFEDMN N#CC1(C[C@H](O)CN2CCc3ccc(Cl)cc3C2)CC1 ZINC000528426118 383531002 /nfs/dbraw/zinc/53/10/02/383531002.db2.gz DFPINQFOZSDXHS-HNNXBMFYSA-N 0 1 290.794 2.753 20 30 CFEDMN C[C@@H](CC(=O)Nc1cccc(Cl)c1)NCC1(C#N)CC1 ZINC000570146559 383575363 /nfs/dbraw/zinc/57/53/63/383575363.db2.gz ZEYVECMYSWHLOP-NSHDSACASA-N 0 1 291.782 2.950 20 30 CFEDMN N#CCC1(CNCc2cc(F)c(F)c(F)c2)CC1 ZINC000430027055 383583702 /nfs/dbraw/zinc/58/37/02/383583702.db2.gz RHJAXWYYPMZFCQ-UHFFFAOYSA-N 0 1 254.255 2.887 20 30 CFEDMN N#Cc1ccsc1C(=O)Nc1nc2ccc(F)cc2[nH]1 ZINC000488928992 383584001 /nfs/dbraw/zinc/58/40/01/383584001.db2.gz BQPVDPPTIYKGHY-UHFFFAOYSA-N 0 1 286.291 2.887 20 30 CFEDMN N#CCC1(CNCc2cccc3c2OCCCO3)CC1 ZINC000430024389 383584076 /nfs/dbraw/zinc/58/40/76/383584076.db2.gz ZRGAEYVICGVTIZ-UHFFFAOYSA-N 0 1 272.348 2.631 20 30 CFEDMN CCO[C@H]1CCN(Cc2cccc(C#N)c2F)C[C@H]1C ZINC000451547100 383641714 /nfs/dbraw/zinc/64/17/14/383641714.db2.gz TWCUACUOAJXDFW-DOMZBBRYSA-N 0 1 276.355 2.944 20 30 CFEDMN C=CCCC[C@@H](C)NC(=O)[C@@H]1CCN1C1CCCC1 ZINC000635771038 383644313 /nfs/dbraw/zinc/64/43/13/383644313.db2.gz RLJYCCMTHZVFIT-HIFRSBDPSA-N 0 1 264.413 2.864 20 30 CFEDMN CO[C@@H]1[C@@H](C)[C@@H](NCc2cccc(F)c2C#N)C1(C)C ZINC000451499030 383628501 /nfs/dbraw/zinc/62/85/01/383628501.db2.gz LADHJQXPGNLFJB-COLVAYQJSA-N 0 1 276.355 2.846 20 30 CFEDMN CN(CCC(=O)Nc1cc(F)cc(F)c1)CC(C)(C)C#N ZINC000433317497 383760156 /nfs/dbraw/zinc/76/01/56/383760156.db2.gz LMNIGLZTKRYQJB-UHFFFAOYSA-N 0 1 295.333 2.775 20 30 CFEDMN N#CCCN(CC1CC1)C(=O)C(C#N)CCc1ccccc1 ZINC000433359431 383761463 /nfs/dbraw/zinc/76/14/63/383761463.db2.gz IGQPAIVEURULNK-QGZVFWFLSA-N 0 1 295.386 2.911 20 30 CFEDMN C[C@H](CC#N)N(C)C(=O)C(C#N)CCc1ccccc1 ZINC000433342231 383761676 /nfs/dbraw/zinc/76/16/76/383761676.db2.gz KELVFTKJNDVOMN-UKRRQHHQSA-N 0 1 269.348 2.520 20 30 CFEDMN C=CCCC[N@H+]1CCc2c(F)ccc(C(=O)[O-])c2C1 ZINC000530169603 383767614 /nfs/dbraw/zinc/76/76/14/383767614.db2.gz SMSQCTQQDBSVBB-UHFFFAOYSA-N 0 1 263.312 2.848 20 30 CFEDMN C=CCCOCCCCC(=O)Nc1cccc2[nH]nnc21 ZINC000640379826 383778069 /nfs/dbraw/zinc/77/80/69/383778069.db2.gz KFSUWKOKQGJQBM-UHFFFAOYSA-N 0 1 288.351 2.659 20 30 CFEDMN C=CCN1CC[C@@H](NC2(c3cccc(F)c3)CCC2)C1=O ZINC000646002002 383816222 /nfs/dbraw/zinc/81/62/22/383816222.db2.gz FWIFASNKAYCTRJ-OAHLLOKOSA-N 0 1 288.366 2.581 20 30 CFEDMN CCC(CC)CN(CCC#N)CCCN1CCCC1=O ZINC000530662311 383781611 /nfs/dbraw/zinc/78/16/11/383781611.db2.gz FHWJRHYAWLJIPO-UHFFFAOYSA-N 0 1 279.428 2.651 20 30 CFEDMN CC(C)c1nc(CN[C@H]2CCc3ccc(C#N)cc32)n[nH]1 ZINC000453298187 383842128 /nfs/dbraw/zinc/84/21/28/383842128.db2.gz UJKFIXMXCSRMGV-AWEZNQCLSA-N 0 1 281.363 2.577 20 30 CFEDMN C=C(C)[C@@H](CC(=O)N1CCN(C)[C@@H](C(C)(C)C)C1)OCC ZINC000640615031 383848254 /nfs/dbraw/zinc/84/82/54/383848254.db2.gz JIWAYHXYOJZRPQ-HUUCEWRRSA-N 0 1 296.455 2.546 20 30 CFEDMN C=C[C@@](C)(CC)C(=O)N1CCN(C)[C@@H](C(C)(C)C)C1 ZINC000640620291 383852876 /nfs/dbraw/zinc/85/28/76/383852876.db2.gz CJVPYBXPYDBFDH-CJNGLKHVSA-N 0 1 266.429 2.777 20 30 CFEDMN C=C(C)C[C@@H](C)C(=O)N1CCN(C)[C@@H](C(C)(C)C)C1 ZINC000640622709 383854619 /nfs/dbraw/zinc/85/46/19/383854619.db2.gz MDDWLRKYALAMFG-ZIAGYGMSSA-N 0 1 266.429 2.777 20 30 CFEDMN C=CC[C@H]1CCN(C(=O)Nc2cc(CN(C)C)ccn2)C1 ZINC000640577795 383834398 /nfs/dbraw/zinc/83/43/98/383834398.db2.gz ZUKOUDHLIWADNY-ZDUSSCGKSA-N 0 1 288.395 2.573 20 30 CFEDMN C=CC[C@@H](C)NC(=O)NC[C@@H](c1ccsc1)N(C)C ZINC000265289118 383887678 /nfs/dbraw/zinc/88/76/78/383887678.db2.gz JZDGFMDWMLEXLY-YPMHNXCESA-N 0 1 281.425 2.615 20 30 CFEDMN C=CCCCN(C)CC(=O)Nc1ccc(OCC)cc1 ZINC000265583455 383949867 /nfs/dbraw/zinc/94/98/67/383949867.db2.gz GSRKJTPHWVPBRE-UHFFFAOYSA-N 0 1 276.380 2.922 20 30 CFEDMN N#Cc1ccc(N[C@H]2CCCC[C@H]2N2CCOCC2)cc1 ZINC000532422054 384026564 /nfs/dbraw/zinc/02/65/64/384026564.db2.gz YFIFHDIEGFZKJQ-DLBZAZTESA-N 0 1 285.391 2.614 20 30 CFEDMN C=C(C)CCn1cc([C@H](N)c2ccc(Cl)cc2)nn1 ZINC000641069708 384044295 /nfs/dbraw/zinc/04/42/95/384044295.db2.gz MWJZNYQLJADHGM-CQSZACIVSA-N 0 1 276.771 2.946 20 30 CFEDMN C[C@@H](NCc1ccc(C#N)o1)[C@H](O)c1cccc(F)c1 ZINC000267193680 384320044 /nfs/dbraw/zinc/32/00/44/384320044.db2.gz MXNFBEVFUXIEJT-BMIGLBTASA-N 0 1 274.295 2.502 20 30 CFEDMN CC[C@H](C)c1nc([C@@H](C)Nc2ncccc2C#N)n[nH]1 ZINC000277438104 384301885 /nfs/dbraw/zinc/30/18/85/384301885.db2.gz OCTMALNIYOEPOX-VHSXEESVSA-N 0 1 270.340 2.758 20 30 CFEDMN CC#CC[C@@H](CO)NCc1nc(-c2ccccc2)cs1 ZINC000641769588 384337358 /nfs/dbraw/zinc/33/73/58/384337358.db2.gz VPEKHHXGTFKBOA-AWEZNQCLSA-N 0 1 286.400 2.674 20 30 CFEDMN CCN1CCCN(c2c(Cl)cccc2C#N)CC1 ZINC000267261508 384340641 /nfs/dbraw/zinc/34/06/41/384340641.db2.gz WTHZPERNEBMZOE-UHFFFAOYSA-N 0 1 263.772 2.744 20 30 CFEDMN C=C[C@H](CO)NCc1cn(-c2ccccc2)nc1C(C)(C)C ZINC000641775344 384343007 /nfs/dbraw/zinc/34/30/07/384343007.db2.gz WXVPNVFDJHTABW-OAHLLOKOSA-N 0 1 299.418 2.806 20 30 CFEDMN C=CC[C@@H](C)NC(=O)[C@H](N)c1ccc(C(F)(F)F)cc1 ZINC000638011339 384352511 /nfs/dbraw/zinc/35/25/11/384352511.db2.gz WMFYDJZBWLZJTH-BXKDBHETSA-N 0 1 286.297 2.786 20 30 CFEDMN CC#CC[C@H](CO)NCc1ccc(C)cc1Br ZINC000641767275 384334156 /nfs/dbraw/zinc/33/41/56/384334156.db2.gz IDQZMRPSGHSKDW-CYBMUJFWSA-N 0 1 296.208 2.621 20 30 CFEDMN C#C[C@H](C)NCc1c(C)nn(Cc2ccc(C)cc2)c1C ZINC000289352981 197308408 /nfs/dbraw/zinc/30/84/08/197308408.db2.gz JINMWWOEHFCFMN-AWEZNQCLSA-N 0 1 281.403 2.968 20 30 CFEDMN C#C[C@H](NCc1nn(CC)c2ccccc12)C(C)C ZINC000289325543 197297787 /nfs/dbraw/zinc/29/77/87/197297787.db2.gz GGAAXKHXUXVZMD-AWEZNQCLSA-N 0 1 255.365 2.804 20 30 CFEDMN N#Cc1sc(N2CCN(C3CCCC3)CC2)nc1Cl ZINC000278780071 384596702 /nfs/dbraw/zinc/59/67/02/384596702.db2.gz VXUSWLCTYXWZMA-UHFFFAOYSA-N 0 1 296.827 2.733 20 30 CFEDMN C=CCC1(NC(=O)c2oc(CN)cc2C)CCCC1 ZINC000638421560 384641976 /nfs/dbraw/zinc/64/19/76/384641976.db2.gz WVGIBQVNQIFIEH-UHFFFAOYSA-N 0 1 262.353 2.665 20 30 CFEDMN C#CCn1ccc(CN(CC)CCCC2CCOCC2)n1 ZINC000279469765 384647646 /nfs/dbraw/zinc/64/76/46/384647646.db2.gz VGSUEEALMRMVAB-UHFFFAOYSA-N 0 1 289.423 2.545 20 30 CFEDMN C=C[C@H](CC(=O)N1CCNC[C@@H]1C(C)C)c1ccccc1 ZINC000638492328 384696044 /nfs/dbraw/zinc/69/60/44/384696044.db2.gz NZEASBNOQHBFSP-NVXWUHKLSA-N 0 1 286.419 2.803 20 30 CFEDMN C=CCN1CC[C@@H](N[C@H](C)c2cccc(Cl)c2)C1=O ZINC000281157034 195128570 /nfs/dbraw/zinc/12/85/70/195128570.db2.gz KFXLGLQOVOFBPO-BXUZGUMPSA-N 0 1 278.783 2.778 20 30 CFEDMN C=C(C)[C@H]1OCC[C@H]1c1nc(-c2ccn3cncc3c2)no1 ZINC000289293998 197286592 /nfs/dbraw/zinc/28/65/92/197286592.db2.gz VHRIVNALKPIUHO-ZIAGYGMSSA-N 0 1 296.330 2.833 20 30 CFEDMN COc1ccc(CN(C)[C@H](CO)c2ccccc2)cc1C#N ZINC000269724007 384851763 /nfs/dbraw/zinc/85/17/63/384851763.db2.gz VLJOLHPBHLZDFK-QGZVFWFLSA-N 0 1 296.370 2.732 20 30 CFEDMN Cc1cccc(CN2CCN(c3cnccc3C#N)CC2)c1 ZINC000270335427 385060662 /nfs/dbraw/zinc/06/06/62/385060662.db2.gz CQMALWJYUDEBHA-UHFFFAOYSA-N 0 1 292.386 2.584 20 30 CFEDMN COC(=O)CC1(NCc2ccccc2C#N)CCCC1 ZINC000280511315 385042137 /nfs/dbraw/zinc/04/21/37/385042137.db2.gz RIEXRAUIEVJTMH-UHFFFAOYSA-N 0 1 272.348 2.524 20 30 CFEDMN C[C@H](CNC(=O)c1ccc(CC#N)cc1)[N@H+]1CCC[C@@H](C)C1 ZINC000270299548 385045861 /nfs/dbraw/zinc/04/58/61/385045861.db2.gz YURXPTDIKWBMCA-HUUCEWRRSA-N 0 1 299.418 2.603 20 30 CFEDMN N#Cc1ccc(OCCN2CCOCC23CCCC3)cc1 ZINC000270571150 385151002 /nfs/dbraw/zinc/15/10/02/385151002.db2.gz AUSDMACZLYQWDB-UHFFFAOYSA-N 0 1 286.375 2.582 20 30 CFEDMN C#CCC[N@H+](Cc1cccc(OC)c1)C[C@H]1CCCO1 ZINC000270635500 385171188 /nfs/dbraw/zinc/17/11/88/385171188.db2.gz QZPULYAKJOVXPL-QGZVFWFLSA-N 0 1 273.376 2.700 20 30 CFEDMN C=CCN1CC[C@@H](N(C)[C@@H](C)c2ccccc2C)C1=O ZINC000282140590 385225139 /nfs/dbraw/zinc/22/51/39/385225139.db2.gz ZKOFWACZWPWSTQ-GOEBONIOSA-N 0 1 272.392 2.775 20 30 CFEDMN CN(CCC#N)c1ccc(CN2CCO[C@@H]3CCC[C@H]32)cc1 ZINC000271109927 385337835 /nfs/dbraw/zinc/33/78/35/385337835.db2.gz CUHIMKSEEXWWHE-QZTJIDSGSA-N 0 1 299.418 2.790 20 30 CFEDMN C#CCN(CC)Cc1c[nH]nc1-c1ccccc1F ZINC000271156818 385354137 /nfs/dbraw/zinc/35/41/37/385354137.db2.gz WJGRYEQHRYRIBE-UHFFFAOYSA-N 0 1 257.312 2.671 20 30 CFEDMN Cc1nn(C)c(C)c1CN[C@@H](C)c1ccc(C#N)c(F)c1 ZINC000271972586 385414890 /nfs/dbraw/zinc/41/48/90/385414890.db2.gz UYIPBJUHUYYZCF-JTQLQIEISA-N 0 1 286.354 2.899 20 30 CFEDMN C=CCCO[C@H](C)C(=O)Nc1cc(C(C)=O)ccc1O ZINC000272089442 385445092 /nfs/dbraw/zinc/44/50/92/385445092.db2.gz KWKYYKQNQHYIGT-LLVKDONJSA-N 0 1 277.320 2.515 20 30 CFEDMN C=CCCO[C@@H](C)C(=O)Nc1cc(C(C)=O)ccc1O ZINC000272089443 385445487 /nfs/dbraw/zinc/44/54/87/385445487.db2.gz KWKYYKQNQHYIGT-NSHDSACASA-N 0 1 277.320 2.515 20 30 CFEDMN C#CCN1CCC[C@H](c2nnc(C3CCCCC3)[nH]2)C1 ZINC000272181444 385467551 /nfs/dbraw/zinc/46/75/51/385467551.db2.gz CUZHPBHUMPWCMW-AWEZNQCLSA-N 0 1 272.396 2.665 20 30 CFEDMN CO[C@@H](C)CN(C)CC#Cc1ccc(Cl)cc1 ZINC000285841326 385558049 /nfs/dbraw/zinc/55/80/49/385558049.db2.gz WMHNWFABHBXYCO-LBPRGKRZSA-N 0 1 251.757 2.658 20 30 CFEDMN CN(Cc1cn2ccccc2c1C#N)C[C@H]1CCCC[C@@H]1O ZINC000272628617 385579197 /nfs/dbraw/zinc/57/91/97/385579197.db2.gz ZNDJUBHZJFBABJ-KDOFPFPSSA-N 0 1 297.402 2.794 20 30 CFEDMN C=CCS(=O)(=O)CCN[C@@H](C)c1ccc(CC)cc1 ZINC000272795717 385618023 /nfs/dbraw/zinc/61/80/23/385618023.db2.gz AOSOQFXYAXNEIM-ZDUSSCGKSA-N 0 1 281.421 2.500 20 30 CFEDMN C=C(C)CN(CCc1cnccn1)Cc1cnn(C(C)C)c1 ZINC000639644475 385632181 /nfs/dbraw/zinc/63/21/81/385632181.db2.gz ZTCGMQMNLOBNQV-UHFFFAOYSA-N 0 1 299.422 2.875 20 30 CFEDMN C=CCS(=O)(=O)CCN[C@H](C)c1cccc(Cl)c1 ZINC000272864433 385635995 /nfs/dbraw/zinc/63/59/95/385635995.db2.gz NOMKRDJJVMERCN-LLVKDONJSA-N 0 1 287.812 2.591 20 30 CFEDMN C=C1CCN(CCC(=O)c2ccc(OC)cc2)CC1 ZINC000286602204 385662044 /nfs/dbraw/zinc/66/20/44/385662044.db2.gz XUXUCXUMPUGMHK-UHFFFAOYSA-N 0 1 259.349 2.920 20 30 CFEDMN C#CCN(C[C@H](O)c1ccccc1Br)C1CC1 ZINC000274022341 385701092 /nfs/dbraw/zinc/70/10/92/385701092.db2.gz CFLYKVKBZSLBKJ-AWEZNQCLSA-N 0 1 294.192 2.580 20 30 CFEDMN CC[C@]1(CO)CCCN(CC#Cc2ccccc2)C1 ZINC000276899236 386074127 /nfs/dbraw/zinc/07/41/27/386074127.db2.gz DBVQRKGRJRIFFX-KRWDZBQOSA-N 0 1 257.377 2.523 20 30 CFEDMN CCn1nccc1C(=O)[C@H](C#N)c1nc2cccc(C)c2[nH]1 ZINC000681357655 542443441 /nfs/dbraw/zinc/44/34/41/542443441.db2.gz FRNFFRHGYCWMNM-NSHDSACASA-N 0 1 293.330 2.578 20 30 CFEDMN OC1C[C@H]2CC[C@@H](C1)N2CC#Cc1ccc(Cl)cc1 ZINC000177161906 285245924 /nfs/dbraw/zinc/24/59/24/285245924.db2.gz CEVXXYAYXWGCQZ-XYPWUTKMSA-N 0 1 275.779 2.679 20 30 CFEDMN C=CCNC(=O)CN1CCCC[C@H]1c1ccccc1 ZINC000273903008 542464542 /nfs/dbraw/zinc/46/45/42/542464542.db2.gz XUIJTVMTHWAWLW-HNNXBMFYSA-N 0 1 258.365 2.516 20 30 CFEDMN N#C[C@H]1CC[C@@H](NCc2nccn2CCc2ccccc2)C1 ZINC000574870239 335053741 /nfs/dbraw/zinc/05/37/41/335053741.db2.gz MFUZAWMEYWLCEX-DLBZAZTESA-N 0 1 294.402 2.908 20 30 CFEDMN C=CC1CCN(CC(=O)N(C)c2ccccc2)CC1 ZINC000111256873 262258514 /nfs/dbraw/zinc/25/85/14/262258514.db2.gz UFRRPKGCLZZAOY-UHFFFAOYSA-N 0 1 258.365 2.547 20 30 CFEDMN C[N@@H+](CCC#N)CCC1CCN(C(=O)OC(C)(C)C)CC1 ZINC000179510653 260052291 /nfs/dbraw/zinc/05/22/91/260052291.db2.gz QORDZWCJMZXLJX-UHFFFAOYSA-N 0 1 295.427 2.869 20 30 CFEDMN CN(CCC#N)CCC1CCN(C(=O)OC(C)(C)C)CC1 ZINC000179510653 260052292 /nfs/dbraw/zinc/05/22/92/260052292.db2.gz QORDZWCJMZXLJX-UHFFFAOYSA-N 0 1 295.427 2.869 20 30 CFEDMN CO[C@H](C)CN1CCC[C@H]1[C@H](C#N)c1ccccc1 ZINC000336804480 262395402 /nfs/dbraw/zinc/39/54/02/262395402.db2.gz CZMVSMKJAOLLMD-BMFZPTHFSA-N 0 1 258.365 2.793 20 30 CFEDMN Cc1ccc(C(C)(C)NC(=O)[C@H]2CCc3[nH]nnc3C2)cn1 ZINC000329088077 533621984 /nfs/dbraw/zinc/62/19/84/533621984.db2.gz HTBVJHDITSHUNV-NSHDSACASA-N 0 1 299.378 2.505 20 30 CFEDMN Cc1ccc(C(C)(C)NC(=O)[C@H]2CCc3nn[nH]c3C2)cn1 ZINC000329088077 533621989 /nfs/dbraw/zinc/62/19/89/533621989.db2.gz HTBVJHDITSHUNV-NSHDSACASA-N 0 1 299.378 2.505 20 30 CFEDMN Cc1ccccc1[C@@H](CO)NCC#Cc1ccccc1 ZINC000683022438 542630280 /nfs/dbraw/zinc/63/02/80/542630280.db2.gz UWTFAFIIWYCECK-GOSISDBHSA-N 0 1 265.356 2.670 20 30 CFEDMN C[C@@H](C(=O)Nc1ccccc1C#N)N1CC[C@@H](C)[C@H](C)C1 ZINC000245847794 131090812 /nfs/dbraw/zinc/09/08/12/131090812.db2.gz CMCSPDDLHISCLD-MCIONIFRSA-N 0 1 285.391 2.863 20 30 CFEDMN C[C@H]1CCCN(CC(=O)Nc2cccc(C#N)c2)[C@H]1C ZINC000250484278 131126118 /nfs/dbraw/zinc/12/61/18/131126118.db2.gz KEPVFNGBFSOZTA-STQMWFEESA-N 0 1 271.364 2.617 20 30 CFEDMN N#Cc1cc(NC(=O)N[C@@H]2CCCc3cn[nH]c32)ccc1F ZINC000268854730 132077248 /nfs/dbraw/zinc/07/72/48/132077248.db2.gz CNNFVCXVKCSDHQ-CYBMUJFWSA-N 0 1 299.309 2.620 20 30 CFEDMN N#Cc1ccc(CN[C@@H]2CCCc3[nH]c(=O)ccc32)c(F)c1 ZINC000268851672 132077263 /nfs/dbraw/zinc/07/72/63/132077263.db2.gz FYDJIJHIXABBMF-OAHLLOKOSA-N 0 1 297.333 2.965 20 30 CFEDMN C=C[C@@H]1CCCCN1C(=O)Nc1cnn(-c2ccncc2)c1 ZINC000683788401 542724964 /nfs/dbraw/zinc/72/49/64/542724964.db2.gz IDLCOTKDZRHQAD-CQSZACIVSA-N 0 1 297.362 2.840 20 30 CFEDMN C=CCN(CC)C(=O)[C@@H]1CCc2[nH]c(C(C)C)nc2C1 ZINC000372455174 393450048 /nfs/dbraw/zinc/45/00/48/393450048.db2.gz QQUMBTUUAGCVIJ-GFCCVEGCSA-N 0 1 275.396 2.673 20 30 CFEDMN C(#Cc1ccccc1)CN1CCC(c2c[nH]cn2)CC1 ZINC000373813448 393473213 /nfs/dbraw/zinc/47/32/13/393473213.db2.gz URQRXQUKSUKNEL-UHFFFAOYSA-N 0 1 265.360 2.641 20 30 CFEDMN C=CCN1CC[C@@H](N[C@@H](c2ccccn2)C2CCCC2)C1=O ZINC000373857078 393474422 /nfs/dbraw/zinc/47/44/22/393474422.db2.gz WPAZLZDAFFXNHE-IAGOWNOFSA-N 0 1 299.418 2.689 20 30 CFEDMN CCN(Cc1cnn(C)c1)Cc1ccc(C#N)cc1C ZINC000186197344 393541508 /nfs/dbraw/zinc/54/15/08/393541508.db2.gz UOEKAZLRYBMYBW-UHFFFAOYSA-N 0 1 268.364 2.622 20 30 CFEDMN CC(C)[C@@H]1CCCCN1C(=O)N[C@@H]1CCc2[nH]cnc2C1 ZINC000329596865 393543619 /nfs/dbraw/zinc/54/36/19/393543619.db2.gz CGYDNBQMIDWGCK-DOMZBBRYSA-N 0 1 290.411 2.692 20 30 CFEDMN Cc1ccc(C#N)c(N[C@H]2CN(C)Cc3ccccc32)n1 ZINC000378341152 393544677 /nfs/dbraw/zinc/54/46/77/393544677.db2.gz STGSFLGVMDRSNG-INIZCTEOSA-N 0 1 278.359 2.860 20 30 CFEDMN COc1cc(CNCc2ccc(C)c(C)n2)ccc1C#N ZINC000313950090 393526121 /nfs/dbraw/zinc/52/61/21/393526121.db2.gz PRQQWWCYJGRXNK-UHFFFAOYSA-N 0 1 281.359 2.869 20 30 CFEDMN CC(C)C(N)=NOCc1cc(C#N)ccc1Br ZINC000191690143 393603190 /nfs/dbraw/zinc/60/31/90/393603190.db2.gz OKAYIIBHHDSPEJ-UHFFFAOYSA-N 0 1 296.168 2.766 20 30 CFEDMN C[C@H]1CCSCCN1Cc1cnc2ccc(C#N)cn12 ZINC000191810252 393606791 /nfs/dbraw/zinc/60/67/91/393606791.db2.gz CBUCGEMMNZMIHV-LBPRGKRZSA-N 0 1 286.404 2.533 20 30 CFEDMN C=CC[N@@H+](C)CCN(CC)C[C@H](OC)c1ccccc1 ZINC000411646982 393735208 /nfs/dbraw/zinc/73/52/08/393735208.db2.gz NGXWVZHTFPAKCE-KRWDZBQOSA-N 0 1 276.424 2.814 20 30 CFEDMN Cc1nc([C@@H](C)N2CC=C(c3ccc(C#N)cc3)CC2)n[nH]1 ZINC000411434310 393712272 /nfs/dbraw/zinc/71/22/72/393712272.db2.gz BLIJPCJYRRELKO-GFCCVEGCSA-N 0 1 293.374 2.835 20 30 CFEDMN N#Cc1ccc(NCc2nc(C3(N)CCCCC3)no2)cc1 ZINC000424340367 393836378 /nfs/dbraw/zinc/83/63/78/393836378.db2.gz GNAQIAIGICAGHR-UHFFFAOYSA-N 0 1 297.362 2.671 20 30 CFEDMN C=CC[C@H](Cc1ccccc1)NC(=O)[C@@H]1CCCN1C1CC1 ZINC000413992099 393793121 /nfs/dbraw/zinc/79/31/21/393793121.db2.gz XEKAJOYUGBFEAZ-AEFFLSMTSA-N 0 1 298.430 2.917 20 30 CFEDMN Cc1ccc2ncc(C#N)c(N3C[C@H](C)N(C)[C@@H](C)C3)c2c1 ZINC000338796334 393800919 /nfs/dbraw/zinc/80/09/19/393800919.db2.gz RUGUHWOABQCSOB-KBPBESRZSA-N 0 1 294.402 2.944 20 30 CFEDMN C=CCN(CCOCCC#N)Cc1cccs1 ZINC000338886305 393804596 /nfs/dbraw/zinc/80/45/96/393804596.db2.gz DKWYDGXVLZZXAE-UHFFFAOYSA-N 0 1 250.367 2.666 20 30 CFEDMN C=CCOCCN1CCN([C@H](C)c2cccc(F)c2)CC1 ZINC000339050248 393813569 /nfs/dbraw/zinc/81/35/69/393813569.db2.gz JKTSRRCOUOLXGD-OAHLLOKOSA-N 0 1 292.398 2.707 20 30 CFEDMN C=C(C)[C@@H](CC(=O)Nc1ccc2nc[nH]c2c1)OCC ZINC000339403203 393822788 /nfs/dbraw/zinc/82/27/88/393822788.db2.gz CLBFTWJRWQGYQJ-CQSZACIVSA-N 0 1 273.336 2.873 20 30 CFEDMN CCC[C@H](C)CN1C[C@@H](C#N)[C@@]2(C1)c1ccccc1NC2=O ZINC000342923650 393873782 /nfs/dbraw/zinc/87/37/82/393873782.db2.gz ZBNALZNPLUKEHX-IYOUNJFTSA-N 0 1 297.402 2.768 20 30 CFEDMN CCC[C@H](C)CN1C[C@H](C#N)[C@]2(C1)c1ccccc1NC2=O ZINC000342923652 393873874 /nfs/dbraw/zinc/87/38/74/393873874.db2.gz ZBNALZNPLUKEHX-SUNYJGFJSA-N 0 1 297.402 2.768 20 30 CFEDMN CCC1(CC)[C@H](OC)C[C@@H]1N(C)CC1(C#N)CC1 ZINC000343308298 393882681 /nfs/dbraw/zinc/88/26/81/393882681.db2.gz ZGYPUGMNPIVGKN-QWHCGFSZSA-N 0 1 250.386 2.816 20 30 CFEDMN N#CC1(CN2CC[C@H](COCc3ccccc3)C2)CC1 ZINC000343315431 393883660 /nfs/dbraw/zinc/88/36/60/393883660.db2.gz QETLZXBMCQAAGH-INIZCTEOSA-N 0 1 270.376 2.829 20 30 CFEDMN Cc1cccc2nc([C@@H](C#N)C(=O)c3cccn3C)[nH]c21 ZINC000345434224 393908108 /nfs/dbraw/zinc/90/81/08/393908108.db2.gz SNBYHEJRYLYGEV-NSHDSACASA-N 0 1 278.315 2.700 20 30 CFEDMN C=CCN(Cc1cccc(C#N)c1)C[C@@H]1CCCO1 ZINC000119660748 393923120 /nfs/dbraw/zinc/92/31/20/393923120.db2.gz TWDNWYWUKVUXFB-INIZCTEOSA-N 0 1 256.349 2.725 20 30 CFEDMN CCC[C@H]1CCCN([C@H](C(N)=O)c2ccc(C#N)cc2)C1 ZINC000120971387 393944794 /nfs/dbraw/zinc/94/47/94/393944794.db2.gz BWTWPYWUKSCULO-HOCLYGCPSA-N 0 1 285.391 2.597 20 30 CFEDMN C=CCC[C@@H](O)CN1CCO[C@H](C2CCCCC2)C1 ZINC000349252890 393965697 /nfs/dbraw/zinc/96/56/97/393965697.db2.gz VJDOXSLEQHKGAK-CVEARBPZSA-N 0 1 267.413 2.595 20 30 CFEDMN C=CCC[C@H](O)CN1CCO[C@H](C2CCCCC2)C1 ZINC000349252891 393965818 /nfs/dbraw/zinc/96/58/18/393965818.db2.gz VJDOXSLEQHKGAK-HOTGVXAUSA-N 0 1 267.413 2.595 20 30 CFEDMN C[C@H](N[C@@H]1c2ccccc2C[C@@H]1O)c1cccc(C#N)c1 ZINC000271900503 394024763 /nfs/dbraw/zinc/02/47/63/394024763.db2.gz VJYLLERWYYPSRU-UYHISHBKSA-N 0 1 278.355 2.867 20 30 CFEDMN C#C[C@H](NC(=O)N(C)Cc1cc(C(C)(C)C)[nH]n1)C(C)C ZINC000490962378 394045206 /nfs/dbraw/zinc/04/52/06/394045206.db2.gz MRAQTOGZNXIJFM-ZDUSSCGKSA-N 0 1 290.411 2.506 20 30 CFEDMN Cc1cc(CN2CCC[C@@H]2[C@H](O)C(F)(F)F)ccc1C#N ZINC000487903914 394029046 /nfs/dbraw/zinc/02/90/46/394029046.db2.gz CJPOZCWZUGXZLA-KGLIPLIRSA-N 0 1 298.308 2.754 20 30 CFEDMN Cc1cc(CN(C)[C@@H](C)c2cnn(C)c2)ccc1C#N ZINC000488271013 394036257 /nfs/dbraw/zinc/03/62/57/394036257.db2.gz ZEQIWLNKMDZYFH-ZDUSSCGKSA-N 0 1 268.364 2.793 20 30 CFEDMN C=CCN1CC[C@H](N2CC[C@@H](C)C[C@H]2c2ccco2)C1=O ZINC000282011348 394109879 /nfs/dbraw/zinc/10/98/79/394109879.db2.gz OLSUPHGSPMBZCA-ILXRZTDVSA-N 0 1 288.391 2.840 20 30 CFEDMN C=CCN1CC[C@H](N2CC[C@H](C)C[C@H]2c2ccco2)C1=O ZINC000282011351 394109921 /nfs/dbraw/zinc/10/99/21/394109921.db2.gz OLSUPHGSPMBZCA-KKUMJFAQSA-N 0 1 288.391 2.840 20 30 CFEDMN C=CCN1CC[C@H](N2CC[C@@H](C)C[C@@H]2c2ccco2)C1=O ZINC000282011355 394110115 /nfs/dbraw/zinc/11/01/15/394110115.db2.gz OLSUPHGSPMBZCA-QLFBSQMISA-N 0 1 288.391 2.840 20 30 CFEDMN CN(Cc1ccc(C#N)cc1Cl)CC1(O)CCC1 ZINC000439438880 394115373 /nfs/dbraw/zinc/11/53/73/394115373.db2.gz LONLXWAQIHCGPK-UHFFFAOYSA-N 0 1 264.756 2.558 20 30 CFEDMN C=CCN1CC[C@H](N(Cc2cccc(F)c2)C(C)C)C1=O ZINC000282084314 394121057 /nfs/dbraw/zinc/12/10/57/394121057.db2.gz UTWXWVMKNRZITH-INIZCTEOSA-N 0 1 290.382 2.823 20 30 CFEDMN CCC[C@@H]1CN(CCCOc2cccc(C#N)c2)CCO1 ZINC000131393917 394132727 /nfs/dbraw/zinc/13/27/27/394132727.db2.gz SCMLMAVJDKWZTG-QGZVFWFLSA-N 0 1 288.391 2.828 20 30 CFEDMN Cc1nc(N2CCN(C)[C@@H](C(C)C)C2)c(Cl)cc1C#N ZINC000360067781 394145573 /nfs/dbraw/zinc/14/55/73/394145573.db2.gz YIEKSNAMYZCGIU-CQSZACIVSA-N 0 1 292.814 2.692 20 30 CFEDMN CC(C)(CCC#N)CNC(=O)Cc1[nH]nc2ccccc21 ZINC000360426031 394151704 /nfs/dbraw/zinc/15/17/04/394151704.db2.gz QFLZSEULNUFLRL-UHFFFAOYSA-N 0 1 284.363 2.552 20 30 CFEDMN C=CCCN1CCN(C(=O)CC2CCCCC2)CC1 ZINC000132721484 394162329 /nfs/dbraw/zinc/16/23/29/394162329.db2.gz IXZUAYHVKNHSKV-UHFFFAOYSA-N 0 1 264.413 2.677 20 30 CFEDMN C=C[C@H](C)NCc1cc(C(=O)OC)ccc1Cl ZINC000361009782 394163131 /nfs/dbraw/zinc/16/31/31/394163131.db2.gz ULKXWOLHDVYTGC-VIFPVBQESA-N 0 1 253.729 2.791 20 30 CFEDMN N#CC(C(=O)c1cc(Cl)cc2c1OCC2)c1ccncn1 ZINC000361022080 394163143 /nfs/dbraw/zinc/16/31/43/394163143.db2.gz JCSQVMXFVBVEMG-GFCCVEGCSA-N 0 1 299.717 2.555 20 30 CFEDMN C=C(Cl)CN[C@H]1CCN(C(C)=O)Cc2ccccc21 ZINC000361109198 394165680 /nfs/dbraw/zinc/16/56/80/394165680.db2.gz SFOZPRQKNOLEMH-HNNXBMFYSA-N 0 1 278.783 2.822 20 30 CFEDMN C=CCCCCCN(C)[C@H](C(N)=O)c1ccc(C#N)cc1 ZINC000150872991 394254344 /nfs/dbraw/zinc/25/43/44/394254344.db2.gz QIDVVAPXIFXSCK-INIZCTEOSA-N 0 1 285.391 2.763 20 30 CFEDMN C[C@H](CNc1cc(C#N)ccn1)N1CCc2sccc2C1 ZINC000286063321 394186391 /nfs/dbraw/zinc/18/63/91/394186391.db2.gz IPIJXQJMVXHPOH-GFCCVEGCSA-N 0 1 298.415 2.873 20 30 CFEDMN CCc1ccc(CNCc2ccc(C#N)s2)cn1 ZINC000421351679 394195504 /nfs/dbraw/zinc/19/55/04/394195504.db2.gz OIBNLVRCEQUZPK-UHFFFAOYSA-N 0 1 257.362 2.867 20 30 CFEDMN C[C@H](c1ccc(C#N)cc1)N1CC[C@@H](NC(=O)C2CCC2)C1 ZINC000370906607 394295741 /nfs/dbraw/zinc/29/57/41/394295741.db2.gz WSBFYWWJSVYGKQ-CXAGYDPISA-N 0 1 297.402 2.610 20 30 CFEDMN N#Cc1ccc(CN2CCC[C@@H](N3CCCCC3=O)C2)cc1 ZINC000370897032 394295808 /nfs/dbraw/zinc/29/58/08/394295808.db2.gz FBETYTCUWCTBCS-QGZVFWFLSA-N 0 1 297.402 2.535 20 30 CFEDMN CCCCCCCCC(=O)N1CCC[C@H](c2nn[nH]n2)C1 ZINC000155462223 394316754 /nfs/dbraw/zinc/31/67/54/394316754.db2.gz ASPMFLUCOJTSOQ-ZDUSSCGKSA-N 0 1 293.415 2.656 20 30 CFEDMN C[C@@H]1C[C@H]1c1ccc(CNCc2cc(C#N)n(C)c2)o1 ZINC000517005014 394370571 /nfs/dbraw/zinc/37/05/71/394370571.db2.gz PIVCQHWFWXLFCX-IAQYHMDHSA-N 0 1 269.348 2.903 20 30 CFEDMN Cc1ccc2nc(CNC(=O)C3(C#N)CCCC3)[nH]c2c1 ZINC000174905419 394380031 /nfs/dbraw/zinc/38/00/31/394380031.db2.gz OTIIDERCNQSBAZ-UHFFFAOYSA-N 0 1 282.347 2.572 20 30 CFEDMN CC[C@H](C)N(C)CC(=O)Nc1sc(C)c(C)c1C#N ZINC000177276516 394383130 /nfs/dbraw/zinc/38/31/30/394383130.db2.gz BYBNHSKRMCLZJI-VIFPVBQESA-N 0 1 279.409 2.905 20 30 CFEDMN N#CCCCCN1CCN(c2cc(F)ccc2F)CC1 ZINC000177638393 394384242 /nfs/dbraw/zinc/38/42/42/394384242.db2.gz DEVRUTSUNLPWTK-UHFFFAOYSA-N 0 1 279.334 2.781 20 30 CFEDMN CCC#C[C@@H](C)N[C@@H](CO)c1ccc(Cl)cc1 ZINC000685588534 542932006 /nfs/dbraw/zinc/93/20/06/542932006.db2.gz ITIOIGHWEWEMPG-RISCZKNCSA-N 0 1 251.757 2.765 20 30 CFEDMN COC(=O)c1cccc(CN2C[C@@H](C)CC2(C)C)c1C#N ZINC000535962540 394550911 /nfs/dbraw/zinc/55/09/11/394550911.db2.gz GLXMDTGXDPJXOC-LBPRGKRZSA-N 0 1 286.375 2.965 20 30 CFEDMN COC(=O)c1cccc(CN2C[C@@H](C)CC[C@@H]2C)c1C#N ZINC000535961944 394550957 /nfs/dbraw/zinc/55/09/57/394550957.db2.gz CINPWYORYNXSGA-STQMWFEESA-N 0 1 286.375 2.965 20 30 CFEDMN CC[C@@H]1[C@H](C)CCN1Cc1cccc(C(=O)OC)c1C#N ZINC000547847339 394895961 /nfs/dbraw/zinc/89/59/61/394895961.db2.gz GOAPQTLVJHUKCQ-MLGOLLRUSA-N 0 1 286.375 2.965 20 30 CFEDMN N#Cc1ccc(CN2CCCN(c3ccccc3)CC2)nc1 ZINC000555880870 394985846 /nfs/dbraw/zinc/98/58/46/394985846.db2.gz YCZGADKRZXKRFB-UHFFFAOYSA-N 0 1 292.386 2.666 20 30 CFEDMN C[C@H](c1ccc(C#N)cc1)[N@H+]1CCN(C)C(C)(C)C1 ZINC000556089489 394990024 /nfs/dbraw/zinc/99/00/24/394990024.db2.gz YKJUMOWOESKZLP-CYBMUJFWSA-N 0 1 257.381 2.645 20 30 CFEDMN C=CCCCCN1CCN(C(=O)c2ccc(F)cc2)CC1 ZINC000572333178 395088552 /nfs/dbraw/zinc/08/85/52/395088552.db2.gz WFSZJAJPDCJLHT-UHFFFAOYSA-N 0 1 290.382 2.940 20 30 CFEDMN C=CCOc1ccc(C[N@H+](C)[C@H](CC)C(=O)[O-])cc1 ZINC000648400491 395127080 /nfs/dbraw/zinc/12/70/80/395127080.db2.gz XLTJQOCRVATCGU-CQSZACIVSA-N 0 1 263.337 2.546 20 30 CFEDMN C=CCOc1cccc(C[N@@H+]2CC[C@H](C)[C@H](C(=O)[O-])C2)c1 ZINC000647460672 395341669 /nfs/dbraw/zinc/34/16/69/395341669.db2.gz HJRAQMPAOKTPDS-XJKSGUPXSA-N 0 1 289.375 2.794 20 30 CFEDMN C=CCC1(C(=O)N[C@H]2CCCN(C)C2)CCCCC1 ZINC000648274339 395533707 /nfs/dbraw/zinc/53/37/07/395533707.db2.gz ZABNTEYULDBSPI-AWEZNQCLSA-N 0 1 264.413 2.723 20 30 CFEDMN C=CCCOCCCCC(=O)N1[C@H](C)CN(C)[C@H](C)[C@H]1C ZINC000650152975 395617256 /nfs/dbraw/zinc/61/72/56/395617256.db2.gz MXTHXMFXDRPBSH-BZUAXINKSA-N 0 1 296.455 2.689 20 30 CFEDMN N#CC(C(=O)c1coc(C2CCC2)n1)c1ccccn1 ZINC000192505166 543083346 /nfs/dbraw/zinc/08/33/46/543083346.db2.gz FHTAXHKRSHVTPK-LLVKDONJSA-N 0 1 267.288 2.827 20 30 CFEDMN N#Cc1ccc(CC(=O)Nc2ccc3nc[nH]c3c2)cc1 ZINC000355982982 155136240 /nfs/dbraw/zinc/13/62/40/155136240.db2.gz SYZMCBAZILCSKU-UHFFFAOYSA-N 0 1 276.299 2.616 20 30 CFEDMN Cc1cc(F)ccc1CCNCc1nc(C#N)cs1 ZINC000352843464 397658587 /nfs/dbraw/zinc/65/85/87/397658587.db2.gz WSNXNWFLOXSJDF-UHFFFAOYSA-N 0 1 275.352 2.795 20 30 CFEDMN C=CCCCS(=O)(=O)Nc1ncccc1SC ZINC000650490882 397811734 /nfs/dbraw/zinc/81/17/34/397811734.db2.gz LFGDOTBNXJBEOX-UHFFFAOYSA-N 0 1 272.395 2.511 20 30 CFEDMN C=C(C)CC[N@H+]1CC[C@H](C(=O)[O-])[C@@H]2CCCC[C@@H]21 ZINC000656766649 413195392 /nfs/dbraw/zinc/19/53/92/413195392.db2.gz PGKNYYMVCDBTGO-IHRRRGAJSA-N 0 1 251.370 2.918 20 30 CFEDMN C[C@@H](O)[C@H]1CCN(Cc2ccc(C#N)cc2C(F)(F)F)C1 ZINC000356436371 155266402 /nfs/dbraw/zinc/26/64/02/155266402.db2.gz YHFTVZMVDQJRRY-PWSUYJOCSA-N 0 1 298.308 2.780 20 30 CFEDMN Cc1cc(C#N)cc(N(C)Cc2cc(C(C)(C)C)[nH]n2)n1 ZINC000343056480 154098620 /nfs/dbraw/zinc/09/86/20/154098620.db2.gz XOOWYUAQPGCXBI-UHFFFAOYSA-N 0 1 283.379 2.919 20 30 CFEDMN COc1ccc(OC)c(CNCc2cc(C#N)cs2)c1 ZINC000343090356 154110954 /nfs/dbraw/zinc/11/09/54/154110954.db2.gz IEXMJTCXBRTRSI-UHFFFAOYSA-N 0 1 288.372 2.927 20 30 CFEDMN Cc1cc2[nH]ncc2cc1Nc1nccc(C#N)c1Cl ZINC000343242911 154153592 /nfs/dbraw/zinc/15/35/92/154153592.db2.gz ZCVKAPSEKNEHHZ-UHFFFAOYSA-N 0 1 283.722 2.957 20 30 CFEDMN N#Cc1c[nH]c2ccnc(-c3cc(F)ccc3O)c12 ZINC001240693420 782010126 /nfs/dbraw/zinc/01/01/26/782010126.db2.gz AYJSLLZSRRZYBX-UHFFFAOYSA-N 0 1 253.236 2.946 20 30 CFEDMN CC(C)N(Cc1cccc(C#N)c1F)[C@@H]1CCOC1 ZINC000361409261 156073219 /nfs/dbraw/zinc/07/32/19/156073219.db2.gz ULYOQFOHLKEJMJ-CQSZACIVSA-N 0 1 262.328 2.697 20 30 CFEDMN N#Cc1ccc(NC(=O)CN2C[C@H]3CCCCC[C@H]32)cc1 ZINC000363037497 156144262 /nfs/dbraw/zinc/14/42/62/156144262.db2.gz GSZIABKBIAXKCT-GDBMZVCRSA-N 0 1 283.375 2.761 20 30 CFEDMN CN(Cc1ccc(F)cc1C#N)[C@@H]1[C@@H]2CCO[C@H]2C1(C)C ZINC000363916631 156204288 /nfs/dbraw/zinc/20/42/88/156204288.db2.gz DKPJDACUSAYALE-ARFHVFGLSA-N 0 1 288.366 2.943 20 30 CFEDMN C[C@]1(NCc2ccc(F)cc2C#N)CCO[C@H]1C1CC1 ZINC000374598414 157135519 /nfs/dbraw/zinc/13/55/19/157135519.db2.gz XGNGDWODNJFNPB-HOTGVXAUSA-N 0 1 274.339 2.745 20 30 CFEDMN N#Cc1ccc(CN2CC[C@@H](n3ncc4ccccc43)C2)o1 ZINC000374757037 157154831 /nfs/dbraw/zinc/15/48/31/157154831.db2.gz AABKAPJFNBUUJW-CQSZACIVSA-N 0 1 292.342 2.948 20 30 CFEDMN N#Cc1ccc(CN2CCCC[C@@H]2Cn2cccn2)cc1F ZINC000375975322 157311212 /nfs/dbraw/zinc/31/12/12/157311212.db2.gz RBGFCPHSWCNNSI-MRXNPFEDSA-N 0 1 298.365 2.949 20 30 CFEDMN C=CC[C@H]1CCC[N@H+](Cc2c([O-])nnn2-c2ccccc2)C1 ZINC000663842946 413407395 /nfs/dbraw/zinc/40/73/95/413407395.db2.gz RXHPFIAZGVGNIG-AWEZNQCLSA-N 0 1 298.390 2.761 20 30 CFEDMN C=CCCn1cc(CN[C@@H](CC(F)(F)F)C(C)C)nn1 ZINC000653634740 413416234 /nfs/dbraw/zinc/41/62/34/413416234.db2.gz GSFAKNBNFMVXCR-LBPRGKRZSA-N 0 1 290.333 2.921 20 30 CFEDMN C=CCCn1cc(CN(C)[C@H]2CCC(C)(C)C2)nn1 ZINC000653654031 413430027 /nfs/dbraw/zinc/43/00/27/413430027.db2.gz WVHLPHKIQGARSU-AWEZNQCLSA-N 0 1 262.401 2.865 20 30 CFEDMN N#Cc1cccc(CN[C@H](CO)c2cccc(F)c2)c1 ZINC000344336150 162015662 /nfs/dbraw/zinc/01/56/62/162015662.db2.gz AQWUXTDRMWXOLC-MRXNPFEDSA-N 0 1 270.307 2.521 20 30 CFEDMN CCN1C[C@@H](C)N(C(=O)Nc2ccc(C#N)cc2)C[C@H]1C ZINC000345885763 162270830 /nfs/dbraw/zinc/27/08/30/162270830.db2.gz QVGAWXXARUYLDF-CHWSQXEVSA-N 0 1 286.379 2.505 20 30 CFEDMN C[C@H](NCc1cccnc1)c1ccc(C#N)c(F)c1 ZINC000346105376 162319061 /nfs/dbraw/zinc/31/90/61/162319061.db2.gz QQIFDFUJSJJHDW-NSHDSACASA-N 0 1 255.296 2.943 20 30 CFEDMN C[C@@H](F)CCN1CCN(c2cccc(F)c2C#N)CC1 ZINC000351849941 163203570 /nfs/dbraw/zinc/20/35/70/163203570.db2.gz FVPYYEYDAYXMGZ-GFCCVEGCSA-N 0 1 279.334 2.567 20 30 CFEDMN CC(C)(C)[C@@H]1C[C@H](NCc2nc(C#N)cs2)CCO1 ZINC000352811291 163238428 /nfs/dbraw/zinc/23/84/28/163238428.db2.gz RPXWFTVABMVDBT-PWSUYJOCSA-N 0 1 279.409 2.698 20 30 CFEDMN COc1ccccc1C1(CNCc2nc(C#N)cs2)CC1 ZINC000352838580 163247598 /nfs/dbraw/zinc/24/75/98/163247598.db2.gz FTXLQGJAAPSWLT-UHFFFAOYSA-N 0 1 299.399 2.845 20 30 CFEDMN Cc1ccccc1CCNCc1nc(C#N)cs1 ZINC000352834506 163248291 /nfs/dbraw/zinc/24/82/91/163248291.db2.gz IVFZXYYBUPHLLM-UHFFFAOYSA-N 0 1 257.362 2.656 20 30 CFEDMN C[C@H]1Cc2ccccc2N1CCNCc1nc(C#N)cs1 ZINC000352845355 163251253 /nfs/dbraw/zinc/25/12/53/163251253.db2.gz IGBDAEVIUNKFHF-LBPRGKRZSA-N 0 1 298.415 2.556 20 30 CFEDMN N#Cc1csc(CNC[C@H]2CCN(c3ccccc3)C2)n1 ZINC000352857066 163254245 /nfs/dbraw/zinc/25/42/45/163254245.db2.gz XPWOBFIJPZKUEY-CYBMUJFWSA-N 0 1 298.415 2.631 20 30 CFEDMN N#Cc1csc(CN[C@H]2CCCC[C@H]2OC(F)F)n1 ZINC000352864217 163254894 /nfs/dbraw/zinc/25/48/94/163254894.db2.gz ZDXLNKJZIBZOKC-VHSXEESVSA-N 0 1 287.335 2.655 20 30 CFEDMN N#Cc1ccc(CNCc2ccc3cc[nH]c3n2)cc1 ZINC000353215490 163318069 /nfs/dbraw/zinc/31/80/69/163318069.db2.gz FCDOSCZOJGLTOW-UHFFFAOYSA-N 0 1 262.316 2.724 20 30 CFEDMN CC(C)(C)C(=O)N[C@@H]1CCCN(Cc2ccc(C#N)cc2)C1 ZINC000353436752 163364563 /nfs/dbraw/zinc/36/45/63/163364563.db2.gz QIFFPXSYMRNSRA-MRXNPFEDSA-N 0 1 299.418 2.685 20 30 CFEDMN C=CCCn1cc(CN[C@@H]2C[C@@H](OC(C)C)C2(C)C)nn1 ZINC000653736165 413471531 /nfs/dbraw/zinc/47/15/31/413471531.db2.gz HBQKNQKQSVQVOI-HUUCEWRRSA-N 0 1 292.427 2.536 20 30 CFEDMN CC(C)(C)c1ncc(CNCc2cccc(C#N)c2)cn1 ZINC000284380039 196043387 /nfs/dbraw/zinc/04/33/87/196043387.db2.gz OHGFLJLDUPJSAD-UHFFFAOYSA-N 0 1 280.375 2.936 20 30 CFEDMN C=CC[C@H](C)NC(=O)NC[C@@H]1CCN1Cc1ccccc1 ZINC000660681625 413495676 /nfs/dbraw/zinc/49/56/76/413495676.db2.gz RXBJCOQDQXKVIA-HOCLYGCPSA-N 0 1 287.407 2.525 20 30 CFEDMN C[C@H](O)CN(CC#Cc1ccc(Cl)cc1)C1CC1 ZINC000653899005 413579862 /nfs/dbraw/zinc/57/98/62/413579862.db2.gz VHBGDEXFFLSVDK-LBPRGKRZSA-N 0 1 263.768 2.537 20 30 CFEDMN C=CCCn1cc(CNCCCc2ccccc2F)nn1 ZINC000657457849 413631815 /nfs/dbraw/zinc/63/18/15/413631815.db2.gz SHHGITCTTBFCHA-UHFFFAOYSA-N 0 1 288.370 2.716 20 30 CFEDMN C=CCCn1cc(CNC2CC(C(C)(C)C)C2)nn1 ZINC000657474632 413654111 /nfs/dbraw/zinc/65/41/11/413654111.db2.gz AAPKQEPSVVAASI-UHFFFAOYSA-N 0 1 262.401 2.769 20 30 CFEDMN N#Cc1ccc([C@H](O)CN2CCCC[C@H]2c2cc[nH]n2)cc1 ZINC000285481161 196299288 /nfs/dbraw/zinc/29/92/88/196299288.db2.gz VVTHGKUOROAWCC-DLBZAZTESA-N 0 1 296.374 2.542 20 30 CFEDMN COc1ccc(C(=O)CCN2CCC[C@@H](CC#N)C2)cc1 ZINC000661153450 413790612 /nfs/dbraw/zinc/79/06/12/413790612.db2.gz KEXCZZRSZBKIPE-AWEZNQCLSA-N 0 1 286.375 2.894 20 30 CFEDMN CC1(C)Cc2cccc(C(=O)C(C#N)c3ccncn3)c2O1 ZINC000654987621 414051842 /nfs/dbraw/zinc/05/18/42/414051842.db2.gz GDRHNGFUJWOPRF-ZDUSSCGKSA-N 0 1 293.326 2.680 20 30 CFEDMN C=CCN(CC=C)C(=O)c1cc(CCCCC)[nH]n1 ZINC000665105691 414104364 /nfs/dbraw/zinc/10/43/64/414104364.db2.gz RVTYNYGBLDEPCJ-UHFFFAOYSA-N 0 1 261.369 2.957 20 30 CFEDMN C=CCCC(C)(C)NC(=O)NCc1ccc2cncn2c1 ZINC000665112287 414106185 /nfs/dbraw/zinc/10/61/85/414106185.db2.gz SRONMRLSJLCHIP-UHFFFAOYSA-N 0 1 286.379 2.878 20 30 CFEDMN C=CCN(CC(=O)Nc1ccc2c(c1)OCO2)C(C)(C)C ZINC000661756265 414194119 /nfs/dbraw/zinc/19/41/19/414194119.db2.gz IDJQCSMJFQEYNT-UHFFFAOYSA-N 0 1 290.363 2.640 20 30 CFEDMN C=CCCC1(CNC(=O)N[C@@H](C)c2nnc[nH]2)CCCC1 ZINC000665589250 414382334 /nfs/dbraw/zinc/38/23/34/414382334.db2.gz PROHUYPXMWVNMD-LBPRGKRZSA-N 0 1 291.399 2.692 20 30 CFEDMN C=C1C[C@H]2CC[C@@H](C1)N2CC(=O)c1cc(C)[nH]c1C ZINC000662085883 414401379 /nfs/dbraw/zinc/40/13/79/414401379.db2.gz LTJVJOWLWQCMDR-OKILXGFUSA-N 0 1 258.365 2.997 20 30 CFEDMN C=CCN(CC=C)C(=O)CN1CC2CC1(c1ccccc1)C2 ZINC000662334351 414511001 /nfs/dbraw/zinc/51/10/01/414511001.db2.gz AIWSSWSHZLQDKS-UHFFFAOYSA-N 0 1 296.414 2.808 20 30 CFEDMN C=CC[C@@H]1CCCC[C@H]1NC(=O)c1cc(C(C)(C)N)no1 ZINC000662842298 414619387 /nfs/dbraw/zinc/61/93/87/414619387.db2.gz MKLOIFNDNXMZGY-VXGBXAGGSA-N 0 1 291.395 2.733 20 30 CFEDMN CCn1cc([C@@H](C)NCc2cccc(C#N)c2)cn1 ZINC000044499026 175184557 /nfs/dbraw/zinc/18/45/57/175184557.db2.gz UYHJEDMIUPNNRI-GFCCVEGCSA-N 0 1 254.337 2.625 20 30 CFEDMN C#CCOc1ccccc1CNCc1scnc1C ZINC000071212609 176084300 /nfs/dbraw/zinc/08/43/00/176084300.db2.gz JFAOWUYMDPMHIF-UHFFFAOYSA-N 0 1 272.373 2.753 20 30 CFEDMN C[C@@H](C#N)Sc1nc(CCC2CCCC2)n[nH]1 ZINC000071833771 176273595 /nfs/dbraw/zinc/27/35/95/176273595.db2.gz NYPCJCYDNRBRTM-VIFPVBQESA-N 0 1 250.371 2.932 20 30 CFEDMN C[C@@H](C#N)Sc1n[nH]c(CCC2CCCC2)n1 ZINC000071833771 176273597 /nfs/dbraw/zinc/27/35/97/176273597.db2.gz NYPCJCYDNRBRTM-VIFPVBQESA-N 0 1 250.371 2.932 20 30 CFEDMN Cc1ccc(C=Cc2n[nH]c(S[C@@H](C)C#N)n2)o1 ZINC000344253786 225006626 /nfs/dbraw/zinc/00/66/26/225006626.db2.gz ITPKOCVPHOVXOZ-UDIARPCQSA-N 0 1 260.322 2.881 20 30 CFEDMN N#CCCCN1CCC[C@]2(C1)OCc1ccccc12 ZINC000334834448 225328742 /nfs/dbraw/zinc/32/87/42/225328742.db2.gz XIBFNXVCHIWRTE-MRXNPFEDSA-N 0 1 256.349 2.812 20 30 CFEDMN N#CC(=C(O)c1ccc(-c2ccccc2)[nH]1)c1ccncn1 ZINC000354463916 227001294 /nfs/dbraw/zinc/00/12/94/227001294.db2.gz JHCZTMSJNLQISH-CYBMUJFWSA-N 0 1 288.310 2.962 20 30 CFEDMN C[C@@H]1CC[C@H](NC(=O)N[C@@H]2CCc3nc[nH]c3C2)[C@@H](C)C1 ZINC000329649614 227755657 /nfs/dbraw/zinc/75/56/57/227755657.db2.gz FKBFQXCHJAHCCC-XQHKEYJVSA-N 0 1 290.411 2.595 20 30 CFEDMN O=C(Nc1ccc2[nH]nnc2c1)[C@@H]1CCC(F)(F)C1 ZINC000330053556 228027725 /nfs/dbraw/zinc/02/77/25/228027725.db2.gz QPSVTYZGKSRJNG-SSDOTTSWSA-N 0 1 266.251 2.981 20 30 CFEDMN Cc1cc(C)n([C@H](C)C(=O)N[C@H]2CCCc3cn[nH]c32)n1 ZINC000330097558 228039101 /nfs/dbraw/zinc/03/91/01/228039101.db2.gz AXBXVQBPQBCSNZ-YPMHNXCESA-N 0 1 287.367 2.818 20 30 CFEDMN C[C@H]1OCCC[C@H]1C(=O)Nc1cccc(-c2cn[nH]n2)c1 ZINC000330142039 228048526 /nfs/dbraw/zinc/04/85/26/228048526.db2.gz XZDXZAVRVDOEOD-ZWNOBZJWSA-N 0 1 286.335 2.875 20 30 CFEDMN N#CCCC[C@H](NC(=O)CCc1cnc[nH]1)c1ccccc1 ZINC000352169071 228191407 /nfs/dbraw/zinc/19/14/07/228191407.db2.gz XOOQOJIDKMUSGW-INIZCTEOSA-N 0 1 296.374 2.894 20 30 CFEDMN CCOC(=O)c1cnc(-c2ccc(O)c(F)c2)c(C#N)c1 ZINC001240785596 782032145 /nfs/dbraw/zinc/03/21/45/782032145.db2.gz HOZZAKRDNAHZLR-UHFFFAOYSA-N 0 1 286.262 2.642 20 30 CFEDMN C=CCCCN1CCN(C(=O)c2ccc(F)cc2F)CC1 ZINC000117877889 260117228 /nfs/dbraw/zinc/11/72/28/260117228.db2.gz OBVBCNGSUCNJDU-UHFFFAOYSA-N 0 1 294.345 2.689 20 30 CFEDMN C=CCn1c(C)cc(C(=O)CN2CC[C@H](C)C2)c1C ZINC000357203682 260148976 /nfs/dbraw/zinc/14/89/76/260148976.db2.gz LJDOQBTYQAOCHO-LBPRGKRZSA-N 0 1 260.381 2.815 20 30 CFEDMN N#CCSCCCSc1nc(-c2ccccn2)n[nH]1 ZINC000075076682 260289888 /nfs/dbraw/zinc/28/98/88/260289888.db2.gz UXMCPTHCSISXHT-UHFFFAOYSA-N 0 1 291.405 2.606 20 30 CFEDMN N#CCSCCCSc1nc(-c2cccnc2)n[nH]1 ZINC000080709457 260318341 /nfs/dbraw/zinc/31/83/41/260318341.db2.gz IHLPNSYGMWDOEV-UHFFFAOYSA-N 0 1 291.405 2.606 20 30 CFEDMN C#CCN1CCC(C(=O)N2CCCC[C@@H]2[C@@H](C)CC)CC1 ZINC000490670348 261182070 /nfs/dbraw/zinc/18/20/70/261182070.db2.gz MAHAMLYWGFRJHL-DOTOQJQBSA-N 0 1 290.451 2.759 20 30 CFEDMN CN(C)Cc1cc(-c2noc(CCCC#N)n2)ccc1F ZINC000361264009 261188168 /nfs/dbraw/zinc/18/81/68/261188168.db2.gz XBKHQPDVNANITD-UHFFFAOYSA-N 0 1 288.326 2.784 20 30 CFEDMN C=CCOc1ccc(CNCc2cccc(OC)n2)cc1 ZINC000105460894 261310899 /nfs/dbraw/zinc/31/08/99/261310899.db2.gz RNIOGOVYKITHSF-UHFFFAOYSA-N 0 1 284.359 2.945 20 30 CFEDMN CC[C@@H](CC#N)N[C@@H](C)CC(=O)Nc1ccc(OC)cc1 ZINC000184084293 262008235 /nfs/dbraw/zinc/00/82/35/262008235.db2.gz KRFUILWNYSZBGK-STQMWFEESA-N 0 1 289.379 2.694 20 30 CFEDMN C[C@H](C[S@@](C)=O)[N@@H+](C)Cc1ccccc1C(C)(C)C#N ZINC000184573125 262023761 /nfs/dbraw/zinc/02/37/61/262023761.db2.gz BXMBMBLIBZRWBX-ZUOKHONESA-N 0 1 292.448 2.687 20 30 CFEDMN C[C@H](C[S@@](C)=O)N(C)Cc1ccccc1C(C)(C)C#N ZINC000184573125 262023762 /nfs/dbraw/zinc/02/37/62/262023762.db2.gz BXMBMBLIBZRWBX-ZUOKHONESA-N 0 1 292.448 2.687 20 30 CFEDMN C#CCN(Cc1ccnn1CCCOC)C1CCCCC1 ZINC000491783372 262043891 /nfs/dbraw/zinc/04/38/91/262043891.db2.gz QZNHERNTWQBOQI-UHFFFAOYSA-N 0 1 289.423 2.688 20 30 CFEDMN N#CC1(NC(=O)c2[nH]nc3c2CCCCC3)CCCCC1 ZINC000190244941 262181027 /nfs/dbraw/zinc/18/10/27/262181027.db2.gz NLWVBTDCAKNNAW-UHFFFAOYSA-N 0 1 286.379 2.635 20 30 CFEDMN N#C[C@@H](c1ccccc1)N1CCN(C[C@H]2CCC=CO2)CC1 ZINC000191057188 262188927 /nfs/dbraw/zinc/18/89/27/262188927.db2.gz XZOCSGRMTYDSDU-MSOLQXFVSA-N 0 1 297.402 2.562 20 30 CFEDMN Cn1cc([C@H]2CSCCN2CC(C)(C)CCC#N)cn1 ZINC000191752402 262194911 /nfs/dbraw/zinc/19/49/11/262194911.db2.gz ZUOYDNCUSDWEKB-CQSZACIVSA-N 0 1 292.452 2.840 20 30 CFEDMN N#C[C@@H]1CCC[C@H](NCc2cccnc2OCC(F)F)C1 ZINC000193060174 262214692 /nfs/dbraw/zinc/21/46/92/262214692.db2.gz UITZUCAAEIIDMD-YPMHNXCESA-N 0 1 295.333 2.897 20 30 CFEDMN N#CCC[C@@H](NC(=O)CCc1cnc[nH]1)c1ccccc1 ZINC000193645093 262224840 /nfs/dbraw/zinc/22/48/40/262224840.db2.gz CZWJDNLGBQGFSJ-OAHLLOKOSA-N 0 1 282.347 2.504 20 30 CFEDMN C(#Cc1ccccc1)CN1CCC([C@H]2CCCO2)CC1 ZINC000364587220 262254344 /nfs/dbraw/zinc/25/43/44/262254344.db2.gz BGDMUITYAWDACT-GOSISDBHSA-N 0 1 269.388 2.929 20 30 CFEDMN C=CCC1(C(=O)N2CCC(c3cnc[nH]3)CC2)CCC1 ZINC000364575179 262255643 /nfs/dbraw/zinc/25/56/43/262255643.db2.gz IABFVIAQJIFBGA-UHFFFAOYSA-N 0 1 273.380 2.862 20 30 CFEDMN C=CC1CCN(CC(=O)Nc2ccc(C)c(F)c2)CC1 ZINC000111260492 262259029 /nfs/dbraw/zinc/25/90/29/262259029.db2.gz ROJGLULWJRNMGP-UHFFFAOYSA-N 0 1 276.355 2.971 20 30 CFEDMN Cc1ccc(F)cc1NC(=O)c1ccc(C#N)c(O)c1 ZINC000188214905 262285291 /nfs/dbraw/zinc/28/52/91/262285291.db2.gz XOLCUVNLVXBXPQ-UHFFFAOYSA-N 0 1 270.263 2.964 20 30 CFEDMN N#Cc1csc(CNC[C@@H]2CCCC2(F)F)n1 ZINC000390837012 262350719 /nfs/dbraw/zinc/35/07/19/262350719.db2.gz ADNNHBWCSCDIJG-QMMMGPOBSA-N 0 1 257.309 2.540 20 30 CFEDMN O[C@@]1(c2ccc(F)cc2)CCN(CC#Cc2ccccc2)C1 ZINC000365253339 262355794 /nfs/dbraw/zinc/35/57/94/262355794.db2.gz DOKMHOXBLYWGLQ-IBGZPJMESA-N 0 1 295.357 2.771 20 30 CFEDMN Cc1noc(C2(C)CCN(CC#Cc3ccccc3)CC2)n1 ZINC000365276457 262357390 /nfs/dbraw/zinc/35/73/90/262357390.db2.gz RJVHPYONQCFXAU-UHFFFAOYSA-N 0 1 295.386 2.783 20 30 CFEDMN CC[C@H](C)C(=O)NC1(C#N)CCN(Cc2ccccc2)CC1 ZINC000365394840 262363735 /nfs/dbraw/zinc/36/37/35/262363735.db2.gz LYGHQBMXQHRYBM-HNNXBMFYSA-N 0 1 299.418 2.707 20 30 CFEDMN CC(C)N1C(=O)CN(CCCC(C)(C)C#N)CC1(C)C ZINC000336822734 262397722 /nfs/dbraw/zinc/39/77/22/262397722.db2.gz MWCAPRXAVRNAAW-UHFFFAOYSA-N 0 1 279.428 2.648 20 30 CFEDMN C=CCOCCN1CCN(c2cccc(C)c2C)CC1 ZINC000338897298 262567571 /nfs/dbraw/zinc/56/75/71/262567571.db2.gz ABJLLDSBMPQYQR-UHFFFAOYSA-N 0 1 274.408 2.628 20 30 CFEDMN C[C@H](c1ccccc1)N(C)C(=O)CN(C)[C@@H]1CC[C@H](C#N)C1 ZINC000339159819 262605368 /nfs/dbraw/zinc/60/53/68/262605368.db2.gz SXBLACHSTSAZRM-HLLBOEOZSA-N 0 1 299.418 2.830 20 30 CFEDMN C=C(C)CN(Cc1ccc(CO)o1)[C@@H]1CC[C@H](C#N)C1 ZINC000339192449 262612218 /nfs/dbraw/zinc/61/22/18/262612218.db2.gz FKHXYPZLDXRXEJ-UONOGXRCSA-N 0 1 274.364 2.842 20 30 CFEDMN C[C@@H]1CN(CCC2(C#N)CCCCC2)C[C@@]2(CCOC2)O1 ZINC000411667897 262702688 /nfs/dbraw/zinc/70/26/88/262702688.db2.gz XFSMZGYYWNYKSV-NVXWUHKLSA-N 0 1 292.423 2.730 20 30 CFEDMN CO[C@@H]1C[C@@H](c2ccccc2)CC[C@@H]1NCCC#N ZINC000411728069 262705306 /nfs/dbraw/zinc/70/53/06/262705306.db2.gz KJMRLEQHTZXPRP-HRCADAONSA-N 0 1 258.365 2.841 20 30 CFEDMN C=C(C)[C@@H](Cc1nc([C@H](N)CC(C)C)no1)OCC ZINC000414626543 263016394 /nfs/dbraw/zinc/01/63/94/263016394.db2.gz YJEUBCYGRLWAPN-VXGBXAGGSA-N 0 1 267.373 2.639 20 30 CFEDMN N#CCCCCNCc1ncc(C(F)(F)F)s1 ZINC000278557300 263048785 /nfs/dbraw/zinc/04/87/85/263048785.db2.gz CBZNBEQXGGBMEE-UHFFFAOYSA-N 0 1 263.288 2.945 20 30 CFEDMN CCC(N)=NOC[C@H](OC)c1ccc(Cl)cc1 ZINC000282133278 263074558 /nfs/dbraw/zinc/07/45/58/263074558.db2.gz ABFYLRGWFSOFPD-NSHDSACASA-N 0 1 256.733 2.726 20 30 CFEDMN CCc1ccc([C@H](COC)N[C@H]2CC[C@@H](C#N)C2)o1 ZINC000282438784 263076816 /nfs/dbraw/zinc/07/68/16/263076816.db2.gz UIKVQPLZGAFXOS-DYEKYZERSA-N 0 1 262.353 2.811 20 30 CFEDMN C[C@@H]1CCC[C@@](C#N)(NC(=O)c2ccc3cncn3c2)C1 ZINC000284370072 263086603 /nfs/dbraw/zinc/08/66/03/263086603.db2.gz ONEMQEIYGCBSQG-MLGOLLRUSA-N 0 1 282.347 2.537 20 30 CFEDMN C[C@H]1CCC[C@](C#N)(NC(=O)c2ccc3cncn3c2)C1 ZINC000284370068 263086713 /nfs/dbraw/zinc/08/67/13/263086713.db2.gz ONEMQEIYGCBSQG-LRDDRELGSA-N 0 1 282.347 2.537 20 30 CFEDMN C[C@H]1CCC[C@@](C#N)(NC(=O)c2ccc3cncn3c2)C1 ZINC000284370066 263086739 /nfs/dbraw/zinc/08/67/39/263086739.db2.gz ONEMQEIYGCBSQG-BLLLJJGKSA-N 0 1 282.347 2.537 20 30 CFEDMN Cc1nc2cccc(C(=O)N[C@@H](C#N)C(C)(C)C)c2[nH]1 ZINC000284476554 263087041 /nfs/dbraw/zinc/08/70/41/263087041.db2.gz SVKQTVNSUXXYQI-LBPRGKRZSA-N 0 1 270.336 2.539 20 30 CFEDMN N#C[C@@H](NC(=O)c1ccc2cncn2c1)C1CCCCC1 ZINC000285451175 263092885 /nfs/dbraw/zinc/09/28/85/263092885.db2.gz ZJIOYSSZGWOZBZ-OAHLLOKOSA-N 0 1 282.347 2.537 20 30 CFEDMN N#CC[C@@H](O)CSc1nc2ccc(Cl)cc2[nH]1 ZINC000287216174 263101342 /nfs/dbraw/zinc/10/13/42/263101342.db2.gz MVSXXANEXNWXKE-MRVPVSSYSA-N 0 1 267.741 2.583 20 30 CFEDMN CC[C@](C)(C#N)c1nc(-c2ccc3[nH]cnc3c2)no1 ZINC000289225421 263108326 /nfs/dbraw/zinc/10/83/26/263108326.db2.gz ZOGXXFIWJQIEMZ-CQSZACIVSA-N 0 1 267.292 2.804 20 30 CFEDMN N#CCCN(CC[C@H](O)c1ccccc1)CC1CC1 ZINC000290338965 263116157 /nfs/dbraw/zinc/11/61/57/263116157.db2.gz PJGSSHQKDHSUSB-INIZCTEOSA-N 0 1 258.365 2.736 20 30 CFEDMN CCCCCCC[C@H](C)N[C@H](C(N)=O)c1ccccn1 ZINC000295156417 263173476 /nfs/dbraw/zinc/17/34/76/263173476.db2.gz RRYAWVQKPMXACJ-ZFWWWQNUSA-N 0 1 277.412 2.947 20 30 CFEDMN C=CCOCC(=O)Nc1ccc2nc(-c3ccco3)[nH]c2c1 ZINC000340510588 263181288 /nfs/dbraw/zinc/18/12/88/263181288.db2.gz HWCOOFPIPBVCKA-UHFFFAOYSA-N 0 1 297.314 2.964 20 30 CFEDMN COc1ccc(N2CCN([C@H](C)CCC#N)CC2)cc1 ZINC000297729332 263208733 /nfs/dbraw/zinc/20/87/33/263208733.db2.gz CMAQKYXAIAYWCZ-CQSZACIVSA-N 0 1 273.380 2.509 20 30 CFEDMN C[C@@H](CCC#N)N1CCC[C@@H](Oc2ncccc2F)C1 ZINC000298551714 263221619 /nfs/dbraw/zinc/22/16/19/263221619.db2.gz OGDBYAJMPHYTAP-QWHCGFSZSA-N 0 1 277.343 2.756 20 30 CFEDMN COc1cc(N2CCN([C@@H](C)CCC#N)CC2)ccc1F ZINC000298701015 263224648 /nfs/dbraw/zinc/22/46/48/263224648.db2.gz ZWJCEKSQLCAYKT-ZDUSSCGKSA-N 0 1 291.370 2.649 20 30 CFEDMN COc1ccc(N2CCN([C@@H](C)CCC#N)CC2)cc1F ZINC000298734824 263224687 /nfs/dbraw/zinc/22/46/87/263224687.db2.gz VOQRHTMNYFIGKT-ZDUSSCGKSA-N 0 1 291.370 2.649 20 30 CFEDMN C=C(C)CNCc1c(C)nn(CC(C)C)c1OCC ZINC000119642388 263276238 /nfs/dbraw/zinc/27/62/38/263276238.db2.gz VRSZIAOLCFBJSF-UHFFFAOYSA-N 0 1 265.401 2.912 20 30 CFEDMN CC[C@@H]1CCCN1CC(=O)N(CCC#N)c1ccccc1 ZINC000340689114 263293255 /nfs/dbraw/zinc/29/32/55/263293255.db2.gz PZBNIJDMNOUBAV-OAHLLOKOSA-N 0 1 285.391 2.808 20 30 CFEDMN CCN1CCN(C(=O)C[C@@H](CC#N)c2ccccc2)[C@H](C)C1 ZINC000341788168 263351750 /nfs/dbraw/zinc/35/17/50/263351750.db2.gz JGAWRJCAHFMKJA-NVXWUHKLSA-N 0 1 299.418 2.627 20 30 CFEDMN COCC1(C#N)CCN([C@@H](C)c2cccc(C#N)c2)CC1 ZINC000341981158 263369889 /nfs/dbraw/zinc/36/98/89/263369889.db2.gz FAGFJCIGLOQXBE-AWEZNQCLSA-N 0 1 283.375 2.871 20 30 CFEDMN C=CCC[C@H](NC[C@@H]1CCCCS1(=O)=O)c1ccco1 ZINC000353674023 263370890 /nfs/dbraw/zinc/37/08/90/263370890.db2.gz RASWFUMWCLDQNF-KBPBESRZSA-N 0 1 297.420 2.844 20 30 CFEDMN C=CCCN(C)C(=O)NCc1ccc(CN(C)C)c(F)c1 ZINC000342203645 263406705 /nfs/dbraw/zinc/40/67/05/263406705.db2.gz DKGHDIRAEBXATN-UHFFFAOYSA-N 0 1 293.386 2.605 20 30 CFEDMN Cc1cccc2nc(CCC(=O)NCC3(C#N)CCC3)[nH]c21 ZINC000416344779 263696631 /nfs/dbraw/zinc/69/66/31/263696631.db2.gz DDSWDUABJQUOOV-UHFFFAOYSA-N 0 1 296.374 2.614 20 30 CFEDMN O=C(N[C@@H]1CCCc2cn[nH]c21)[C@H](O)C1CCCCC1 ZINC000328600108 263838430 /nfs/dbraw/zinc/83/84/30/263838430.db2.gz CTOOBYURCWGFPH-TZMCWYRMSA-N 0 1 277.368 2.685 20 30 CFEDMN CCc1nnsc1C(=O)Nc1c(C)n[nH]c1C(F)F ZINC000330745627 264028587 /nfs/dbraw/zinc/02/85/87/264028587.db2.gz VXHNJWYBMCUIJR-UHFFFAOYSA-N 0 1 287.295 2.706 20 30 CFEDMN CC[C@@H]1CCC[C@H](NC([O-])=[NH+][C@H](C)Cn2cccn2)C1 ZINC000330873920 264059881 /nfs/dbraw/zinc/05/98/81/264059881.db2.gz SSBJXUJKPVPFEA-MCIONIFRSA-N 0 1 278.400 2.744 20 30 CFEDMN CC[C@@H]1CCC[C@H]([NH+]=C([O-])N[C@H](C)Cn2cccn2)C1 ZINC000330873920 264059882 /nfs/dbraw/zinc/05/98/82/264059882.db2.gz SSBJXUJKPVPFEA-MCIONIFRSA-N 0 1 278.400 2.744 20 30 CFEDMN CCCN(C)C([O-])=[NH+][C@H]1CCc2cnn(C(C)C)c2C1 ZINC000331125458 264132402 /nfs/dbraw/zinc/13/24/02/264132402.db2.gz YPZCUXVGWJQLAQ-ZDUSSCGKSA-N 0 1 278.400 2.577 20 30 CFEDMN Cc1nc2cccc(C(=O)N[C@](C)(CO)C(C)C)c2[nH]1 ZINC000331182213 264155235 /nfs/dbraw/zinc/15/52/35/264155235.db2.gz HXBMMKRPRKWGTI-OAHLLOKOSA-N 0 1 275.352 2.583 20 30 CFEDMN COc1ccccc1C[C@H](C)N(C)CC1(C#N)CC1 ZINC000343318333 264787624 /nfs/dbraw/zinc/78/76/24/264787624.db2.gz GHWOMARMGAVLKZ-ZDUSSCGKSA-N 0 1 258.365 2.862 20 30 CFEDMN C[C@@H](O)[C@@H]1CCCN(Cc2ccc(C#N)cc2Cl)C1 ZINC000525893740 266003346 /nfs/dbraw/zinc/00/33/46/266003346.db2.gz KNNFTLSQWKAMOJ-DGCLKSJQSA-N 0 1 278.783 2.804 20 30 CFEDMN C[C@@H]1CN(C)C[C@@H](C)N1C(=O)C[C@H](CC#N)c1ccccc1 ZINC000356545830 266135577 /nfs/dbraw/zinc/13/55/77/266135577.db2.gz VSHBZZDKTQCORK-INMHGKMJSA-N 0 1 299.418 2.625 20 30 CFEDMN C[C@@H]1CN(C(=O)C[C@@H](CC#N)c2ccccc2)[C@@H](C)CN1C ZINC000356587748 266143118 /nfs/dbraw/zinc/14/31/18/266143118.db2.gz DALYJPAMKGZDTK-HLLBOEOZSA-N 0 1 299.418 2.625 20 30 CFEDMN CC#CCN1CC=C(c2ccc3c(c2)OCCO3)CC1 ZINC000357025029 266235426 /nfs/dbraw/zinc/23/54/26/266235426.db2.gz OFFMVYYBWMRDKG-UHFFFAOYSA-N 0 1 269.344 2.570 20 30 CFEDMN CC#CCN(CCC)C[C@H]1COc2ccccc2O1 ZINC000357611814 266334925 /nfs/dbraw/zinc/33/49/25/266334925.db2.gz ZCZADCYPKRDVDR-AWEZNQCLSA-N 0 1 259.349 2.562 20 30 CFEDMN C=C(C)CN1CCN(c2cncc3ccccc32)CC1 ZINC000357647340 266340698 /nfs/dbraw/zinc/34/06/98/266340698.db2.gz HPWONIYNPNGVGZ-UHFFFAOYSA-N 0 1 267.376 2.933 20 30 CFEDMN CC[C@@H]1CN(CCOc2ccc(C#N)cc2)C[C@H](CC)O1 ZINC000398504872 266378688 /nfs/dbraw/zinc/37/86/88/266378688.db2.gz DXRXGHCBKOCJDG-IYBDPMFKSA-N 0 1 288.391 2.826 20 30 CFEDMN CC(C)(O)CCN1CCC[C@@H]1[C@H](C#N)c1ccccc1 ZINC000362860207 267055095 /nfs/dbraw/zinc/05/50/95/267055095.db2.gz RNZADUZMJPVWPV-HZPDHXFCSA-N 0 1 272.392 2.919 20 30 CFEDMN C=C(Cl)CN1CCC[C@@H]1[C@H]1CCCN1C(=O)CC ZINC000363110480 267075457 /nfs/dbraw/zinc/07/54/57/267075457.db2.gz JMQHBWZJCHVPJE-CHWSQXEVSA-N 0 1 270.804 2.604 20 30 CFEDMN C=CCN1CC[C@H](N2CCC(C)=C(c3ccco3)C2)C1=O ZINC000368476482 267176354 /nfs/dbraw/zinc/17/63/54/267176354.db2.gz DCLDYPQCOCVMJP-HNNXBMFYSA-N 0 1 286.375 2.546 20 30 CFEDMN C[C@H]1CN(c2ccc(C#N)cn2)CCN1Cc1ccccc1 ZINC000396424954 267239585 /nfs/dbraw/zinc/23/95/85/267239585.db2.gz WWYYKFRROZCAED-HNNXBMFYSA-N 0 1 292.386 2.664 20 30 CFEDMN C[C@H]1CN(c2ncccc2C#N)CCN1Cc1ccccc1 ZINC000396379408 267240859 /nfs/dbraw/zinc/24/08/59/267240859.db2.gz HPQRZFNFDVNWCA-HNNXBMFYSA-N 0 1 292.386 2.664 20 30 CFEDMN C=CCC[C@H](O)CN[C@H](C)c1c(F)cccc1OC ZINC000305789887 267997886 /nfs/dbraw/zinc/99/78/86/267997886.db2.gz ZQVPUXKXQKWDLM-NEPJUHHUSA-N 0 1 267.344 2.812 20 30 CFEDMN CCCN1CCN(c2nc(C(F)(F)F)ccc2C#N)CC1 ZINC000078832775 273614625 /nfs/dbraw/zinc/61/46/25/273614625.db2.gz TXLMAAFJALTMIE-UHFFFAOYSA-N 0 1 298.312 2.504 20 30 CFEDMN CN(C)c1cccnc1CN[C@H]1CCc2ccc(C#N)cc21 ZINC000353622140 273822525 /nfs/dbraw/zinc/82/25/25/273822525.db2.gz LRCFWYZNAUODIY-INIZCTEOSA-N 0 1 292.386 2.796 20 30 CFEDMN CO[C@@H]1CCCN(CC#Cc2cccc(Cl)c2)C1 ZINC000158203879 274062351 /nfs/dbraw/zinc/06/23/51/274062351.db2.gz PDIGVAFRKNAWNH-OAHLLOKOSA-N 0 1 263.768 2.802 20 30 CFEDMN Cc1n[nH]cc1CNCC#Cc1ccc(C(F)(F)F)cc1 ZINC000177715542 274834863 /nfs/dbraw/zinc/83/48/63/274834863.db2.gz BJYUFDOVVMWLDS-UHFFFAOYSA-N 0 1 293.292 2.878 20 30 CFEDMN CC(C)CC1(CN[C@H](C(N)=O)c2ccc(C#N)cc2)CC1 ZINC000151695906 275874732 /nfs/dbraw/zinc/87/47/32/275874732.db2.gz MWMYJOCYIBWOFA-HNNXBMFYSA-N 0 1 285.391 2.501 20 30 CFEDMN CC1(CN2C[C@H](C#N)[C@]3(C2)c2ccccc2NC3=O)CCC1 ZINC000336137234 276167587 /nfs/dbraw/zinc/16/75/87/276167587.db2.gz CDKRGOYGVPQJSC-SCLBCKFNSA-N 0 1 295.386 2.522 20 30 CFEDMN CC(C)(C)C[C@@H]1CCN([C@H](C(N)=O)c2ccc(C#N)cc2)C1 ZINC000452079935 277148041 /nfs/dbraw/zinc/14/80/41/277148041.db2.gz OELIHXJYZRQNPZ-HOCLYGCPSA-N 0 1 299.418 2.843 20 30 CFEDMN CC(=O)N1CCC[C@H]1[C@@H]1CCCN1Cc1ccccc1C#N ZINC000375787886 278027236 /nfs/dbraw/zinc/02/72/36/278027236.db2.gz HNQWMQVKLCUXCG-ROUUACIJSA-N 0 1 297.402 2.534 20 30 CFEDMN C[C@@H](N[C@H]1CCc2ccc(C#N)cc21)c1cn[nH]c1 ZINC000335185033 278387282 /nfs/dbraw/zinc/38/72/82/278387282.db2.gz FSKCWCSWUUDGLJ-BMIGLBTASA-N 0 1 252.321 2.619 20 30 CFEDMN CCC[C@@H]1CCC[C@@H]1C(=O)N=c1[nH]n(C(C)C)cc1C#N ZINC000410544462 278883009 /nfs/dbraw/zinc/88/30/09/278883009.db2.gz WDMKVXHXPSTWNL-OCCSQVGLSA-N 0 1 288.395 2.912 20 30 CFEDMN CO[C@@H]1CN(Cc2ccc(C#N)c(F)c2)CC[C@H]1C ZINC000248845179 281037509 /nfs/dbraw/zinc/03/75/09/281037509.db2.gz MYVHHEYXDFPVPZ-IAQYHMDHSA-N 0 1 262.328 2.554 20 30 CFEDMN Cc1ccc2nc(NC(=O)c3ccc(C#N)c(C)n3)[nH]c2c1 ZINC000344480266 281160777 /nfs/dbraw/zinc/16/07/77/281160777.db2.gz TYANLPNTSYKWLR-UHFFFAOYSA-N 0 1 291.314 2.699 20 30 CFEDMN CC(=Cc1sccc1C)c1nc(C)c(C#N)c(=O)[nH]1 ZINC000559577939 282007709 /nfs/dbraw/zinc/00/77/09/282007709.db2.gz FNYAAOKGSHGYHQ-RMKNXTFCSA-N 0 1 271.345 2.880 20 30 CFEDMN Cc1nc2cc(N[C@H]3CC[C@H](C#N)C3)ccc2n1C ZINC000334756424 282054915 /nfs/dbraw/zinc/05/49/15/282054915.db2.gz HUUFDTMPGRZNSE-RYUDHWBXSA-N 0 1 254.337 2.986 20 30 CFEDMN COc1ccc([C@@H](C)NCc2ccc(C#N)cn2)cc1 ZINC000562043632 282066008 /nfs/dbraw/zinc/06/60/08/282066008.db2.gz ZEOYKPIMVJGMGV-GFCCVEGCSA-N 0 1 267.332 2.813 20 30 CFEDMN C[C@H]1CCN(Cc2ccc(C#N)cc2[N+](=O)[O-])CCS1 ZINC000565308354 290293664 /nfs/dbraw/zinc/29/36/64/290293664.db2.gz UPKDBDNBNBIIQM-NSHDSACASA-N 0 1 291.376 2.794 20 30 CFEDMN CN(CCCOc1ccc(F)cc1)Cc1ccc(C#N)cn1 ZINC000566419331 290381893 /nfs/dbraw/zinc/38/18/93/290381893.db2.gz SKEQZRBZYPOEOY-UHFFFAOYSA-N 0 1 299.349 2.993 20 30 CFEDMN Cc1ccc(-c2cc3[nH]cnc3c(C#N)n2)cc1O ZINC001243226482 782082339 /nfs/dbraw/zinc/08/23/39/782082339.db2.gz IXQFRELCVBMPEJ-UHFFFAOYSA-N 0 1 250.261 2.511 20 30 CFEDMN C[C@@H](C#N)CNCCC(=O)Nc1cccc(C(F)(F)F)c1 ZINC000562993945 327739181 /nfs/dbraw/zinc/73/91/81/327739181.db2.gz RZWJXMGNMIEPEM-JTQLQIEISA-N 0 1 299.296 2.783 20 30 CFEDMN CC(C)[C@@H](CC(F)(F)F)NC[C@@H](C#N)CCC#N ZINC000563013347 327756914 /nfs/dbraw/zinc/75/69/14/327756914.db2.gz IZMPIIMHXFXXQU-GHMZBOCLSA-N 0 1 261.291 2.997 20 30 CFEDMN CC(C)C[C@@H]1OCCC[C@H]1NC[C@@H](C#N)CCC#N ZINC000563014626 327757240 /nfs/dbraw/zinc/75/72/40/327757240.db2.gz ZNQUQLAVHFITLX-KFWWJZLASA-N 0 1 263.385 2.613 20 30 CFEDMN C[C@@H](NC(=O)CN1CCC(CCC#N)CC1)c1ccccc1 ZINC000570958654 327962736 /nfs/dbraw/zinc/96/27/36/327962736.db2.gz JIPDNTOGHIROGG-OAHLLOKOSA-N 0 1 299.418 2.880 20 30 CFEDMN CCN(CC#N)C(=O)c1cc(-c2ccc(C)cc2C)[nH]n1 ZINC000426652509 328003448 /nfs/dbraw/zinc/00/34/48/328003448.db2.gz UXAAIHBQZLFWKP-UHFFFAOYSA-N 0 1 282.347 2.679 20 30 CFEDMN CC[C@H](CC#N)NC[C@@H](O)COc1ccc2ccccc2c1 ZINC000571295035 328100248 /nfs/dbraw/zinc/10/02/48/328100248.db2.gz NBSUCCHTICUEJO-IAGOWNOFSA-N 0 1 298.386 2.861 20 30 CFEDMN C[C@@H]1C[C@H](O)CN(CC#Cc2ccc(C(F)(F)F)cc2)C1 ZINC000412040332 328102127 /nfs/dbraw/zinc/10/21/27/328102127.db2.gz RCNOIIXUQHASPP-DOMZBBRYSA-N 0 1 297.320 2.760 20 30 CFEDMN CCN(C)[C@@H](C(=O)N1CCC(C)(C#N)CC1)c1ccccc1 ZINC000272506358 328200018 /nfs/dbraw/zinc/20/00/18/328200018.db2.gz IFXGQXFZTUAFND-MRXNPFEDSA-N 0 1 299.418 2.832 20 30 CFEDMN CC(C)(C#N)C(=O)Nc1cc(F)cc(Cl)c1O ZINC000274677292 328212711 /nfs/dbraw/zinc/21/27/11/328212711.db2.gz JBISHLZLNZZWSL-UHFFFAOYSA-N 0 1 256.664 2.673 20 30 CFEDMN N#CCC[C@H](C#N)CN1CCCN2c3ccccc3C[C@H]2C1 ZINC000289541710 328255161 /nfs/dbraw/zinc/25/51/61/328255161.db2.gz SZUFZYNYKFYDMR-WBVHZDCISA-N 0 1 294.402 2.567 20 30 CFEDMN CO[C@H](Cc1ccccc1)CN(CCC#N)CC1CC1 ZINC000295092343 328285148 /nfs/dbraw/zinc/28/51/48/328285148.db2.gz SJSQAPBXCPHIRF-QGZVFWFLSA-N 0 1 272.392 2.870 20 30 CFEDMN N#Cc1ccc(CNCc2cccc(Cn3cccn3)c2)o1 ZINC000174295771 323646474 /nfs/dbraw/zinc/64/64/74/323646474.db2.gz GVQLGDSURPXEBA-UHFFFAOYSA-N 0 1 292.342 2.686 20 30 CFEDMN COc1ccc(CNCc2cc(C#N)cs2)cc1O ZINC000177694140 323701806 /nfs/dbraw/zinc/70/18/06/323701806.db2.gz ZJVVODPYMAZSPA-UHFFFAOYSA-N 0 1 274.345 2.624 20 30 CFEDMN N#Cc1ccc(C(=O)Nc2ccccc2F)cc1O ZINC000188209962 324009995 /nfs/dbraw/zinc/00/99/95/324009995.db2.gz KXBVJAPBQUKMIS-UHFFFAOYSA-N 0 1 256.236 2.655 20 30 CFEDMN N#Cc1ccc(C(=O)Nc2cc(F)c(F)cc2F)cc1O ZINC000188551566 324018019 /nfs/dbraw/zinc/01/80/19/324018019.db2.gz XTDVTNFCAHZJQS-UHFFFAOYSA-N 0 1 292.216 2.933 20 30 CFEDMN COc1ccc(C#N)cc1CN1CCS[C@@H](C)CC1 ZINC000192181533 324057109 /nfs/dbraw/zinc/05/71/09/324057109.db2.gz WPEFMPZMKXAJPG-LBPRGKRZSA-N 0 1 276.405 2.894 20 30 CFEDMN C=CC[N@H+](Cc1ccc(Cl)s1)[C@@H](C)C(=O)[O-] ZINC000261589670 327089413 /nfs/dbraw/zinc/08/94/13/327089413.db2.gz UBRYSVBYNAXWBZ-QMMMGPOBSA-N 0 1 259.758 2.863 20 30 CFEDMN C=CC[N@@H+](Cc1ccc(Cl)s1)[C@@H](C)C(=O)[O-] ZINC000261589670 327089414 /nfs/dbraw/zinc/08/94/14/327089414.db2.gz UBRYSVBYNAXWBZ-QMMMGPOBSA-N 0 1 259.758 2.863 20 30 CFEDMN C[C@H](NC1CC(C#N)(c2ccccc2)C1)c1cnn(C)c1 ZINC000127374767 327149591 /nfs/dbraw/zinc/14/95/91/327149591.db2.gz SXPXQXHIJGWUDK-IGEOTXOUSA-N 0 1 280.375 2.695 20 30 CFEDMN Cc1ccc2oc(N3CCN(CCCCC#N)CC3)nc2c1 ZINC000105818836 327242572 /nfs/dbraw/zinc/24/25/72/327242572.db2.gz CYESDFYHOYIQGC-UHFFFAOYSA-N 0 1 298.390 2.952 20 30 CFEDMN C=CCN(CC(C(C)C)C(C)C)[C@H]1CCS(=O)(=O)C1 ZINC000560259245 327294320 /nfs/dbraw/zinc/29/43/20/327294320.db2.gz UJZVFVWRVSMWJB-AWEZNQCLSA-N 0 1 287.469 2.590 20 30 CFEDMN Cc1nn(C(C)C)cc1C(=O)C(C#N)c1cc(C)nc(C)n1 ZINC000574532669 327344306 /nfs/dbraw/zinc/34/43/06/327344306.db2.gz ZKFDTLBDFFGBNB-ZDUSSCGKSA-N 0 1 297.362 2.669 20 30 CFEDMN N#CCCC1CCN(C(=O)c2ccc(F)cc2O)CC1 ZINC000335384853 327470251 /nfs/dbraw/zinc/47/02/51/327470251.db2.gz PPAWSNMMXKDYHC-UHFFFAOYSA-N 0 1 276.311 2.687 20 30 CFEDMN N#CCC[C@H](C#N)CN[C@H]1C[C@H](c2ccccc2)C1 ZINC000562465694 327482908 /nfs/dbraw/zinc/48/29/08/327482908.db2.gz WUYJOBYIJHJGAX-FVQBIDKESA-N 0 1 253.349 2.966 20 30 CFEDMN C[C@H](COc1cccc(F)c1)NC[C@@H](C#N)CCC#N ZINC000570444052 327591939 /nfs/dbraw/zinc/59/19/39/327591939.db2.gz LEAOFMCNWYSRQK-CHWSQXEVSA-N 0 1 275.327 2.626 20 30 CFEDMN C=C[C@@H](CC(=O)N[C@@H]1CCc2nc[nH]c2C1)c1ccccc1 ZINC000378319976 329045739 /nfs/dbraw/zinc/04/57/39/329045739.db2.gz XDPAURYQIJHVOW-DZGCQCFKSA-N 0 1 295.386 2.743 20 30 CFEDMN C=CCNC(=O)CN1C[C@@H](C)C[C@H]1c1cccc(F)c1 ZINC000173923180 329151120 /nfs/dbraw/zinc/15/11/20/329151120.db2.gz LCJRJWJYNVKGDN-WFASDCNBSA-N 0 1 276.355 2.511 20 30 CFEDMN C[C@H](NC[C@H](C#N)CCC#N)[C@@H]1COc2ccccc21 ZINC000178825377 329204286 /nfs/dbraw/zinc/20/42/86/329204286.db2.gz DUPLZYQXVHIVPB-YDHLFZDLSA-N 0 1 269.348 2.584 20 30 CFEDMN C=C(C)CN(C)[C@@H](C)C(=O)N[C@@H](C)c1ccc(F)cc1 ZINC000181283538 329229703 /nfs/dbraw/zinc/22/97/03/329229703.db2.gz IHSGWESMFOGQNM-STQMWFEESA-N 0 1 278.371 2.899 20 30 CFEDMN C=C(C)CN(C)[C@@H](C)C(=O)NCCc1ccccc1C ZINC000181295692 329230467 /nfs/dbraw/zinc/23/04/67/329230467.db2.gz NUIFOWHNASUXGT-HNNXBMFYSA-N 0 1 274.408 2.550 20 30 CFEDMN C=C(C)CN(C)[C@H](C)C(=O)N[C@H]1CCOc2ccccc21 ZINC000181309564 329230881 /nfs/dbraw/zinc/23/08/81/329230881.db2.gz PUSKITJCFFKNAF-HIFRSBDPSA-N 0 1 288.391 2.523 20 30 CFEDMN C=C(C)CN(C)[C@@H]1CCCN(c2ccccc2F)C1=O ZINC000181324505 329231463 /nfs/dbraw/zinc/23/14/63/329231463.db2.gz VQJWSTNHJFKOKA-OAHLLOKOSA-N 0 1 276.355 2.829 20 30 CFEDMN C[C@@H]1CCC[C@H](CO)N1CC#Cc1cccc(Cl)c1 ZINC000181383953 329232267 /nfs/dbraw/zinc/23/22/67/329232267.db2.gz XKMNSBHNFCORHG-CZUORRHYSA-N 0 1 277.795 2.927 20 30 CFEDMN CC(C)(C)c1[nH]n(CCOCC2CC2)c(=O)c1CCC#N ZINC000181688856 329235683 /nfs/dbraw/zinc/23/56/83/329235683.db2.gz ZJNAHARSXDJYHF-UHFFFAOYSA-N 0 1 291.395 2.769 20 30 CFEDMN OC[C@H](NCC#Cc1ccc(F)cc1)c1ccccc1 ZINC000183664372 329251604 /nfs/dbraw/zinc/25/16/04/329251604.db2.gz HEXZUTQSQBPAAA-KRWDZBQOSA-N 0 1 269.319 2.500 20 30 CFEDMN CC[C@H](CC#N)NCCC(=O)N[C@@H]1CCCc2ccccc21 ZINC000582853638 329280371 /nfs/dbraw/zinc/28/03/71/329280371.db2.gz BWDSYLFPVMUKEY-NVXWUHKLSA-N 0 1 299.418 2.852 20 30 CFEDMN CC[C@H](CC#N)NCCC(=O)N[C@H]1CCCc2ccccc21 ZINC000582853640 329280529 /nfs/dbraw/zinc/28/05/29/329280529.db2.gz BWDSYLFPVMUKEY-WBVHZDCISA-N 0 1 299.418 2.852 20 30 CFEDMN C=CCN1CCC(Nc2nc(C(C)(C)C)ns2)CC1 ZINC000188814224 329372838 /nfs/dbraw/zinc/37/28/38/329372838.db2.gz OUYQNPWEIXESLG-UHFFFAOYSA-N 0 1 280.441 2.898 20 30 CFEDMN C=CCCCCN[C@@H](CO)c1c(F)cccc1F ZINC000583303822 329445364 /nfs/dbraw/zinc/44/53/64/329445364.db2.gz ZEIUHZKNOJHOAS-ZDUSSCGKSA-N 0 1 255.308 2.944 20 30 CFEDMN C=C(Cl)CN1CCC(Cn2nc(C)cc2C)CC1 ZINC000105920491 329535836 /nfs/dbraw/zinc/53/58/36/329535836.db2.gz QCXCEFLLLHBKKC-UHFFFAOYSA-N 0 1 267.804 2.964 20 30 CFEDMN C[C@@H](O)CCCn1[nH]c(C(C)(C)C)c(CCC#N)c1=O ZINC000418893880 329681164 /nfs/dbraw/zinc/68/11/64/329681164.db2.gz AKTKLXKGKVTDIQ-LLVKDONJSA-N 0 1 279.384 2.503 20 30 CFEDMN COc1cncc(CN2CCC(CCC#N)CC2)c1 ZINC000571757995 329917662 /nfs/dbraw/zinc/91/76/62/329917662.db2.gz JMFIFEZXFZUYSC-UHFFFAOYSA-N 0 1 259.353 2.606 20 30 CFEDMN CC(C)c1cc(C(=O)N(CCC#N)Cc2ccco2)n[nH]1 ZINC000162481434 330058647 /nfs/dbraw/zinc/05/86/47/330058647.db2.gz DQGMLMMMESDTIZ-UHFFFAOYSA-N 0 1 286.335 2.682 20 30 CFEDMN CN(CCOCCC#N)Cc1ccc(Cl)s1 ZINC000293556645 330134755 /nfs/dbraw/zinc/13/47/55/330134755.db2.gz RQLMEMGDLRGBAB-UHFFFAOYSA-N 0 1 258.774 2.764 20 30 CFEDMN C=CCOc1ccc(C[N@@H+]2CCC[C@@H](C(=O)[O-])[C@H]2C)cc1 ZINC000422640367 330150610 /nfs/dbraw/zinc/15/06/10/330150610.db2.gz ZJDZUQBLFVHKFH-CZUORRHYSA-N 0 1 289.375 2.937 20 30 CFEDMN C=CCC(CC=C)C(=O)N1CCNC[C@H]1c1ccccc1 ZINC000423994176 330217576 /nfs/dbraw/zinc/21/75/76/330217576.db2.gz IIWJLQULIBIIKG-KRWDZBQOSA-N 0 1 284.403 2.928 20 30 CFEDMN N#C[C@H]1CC[C@@H](NCc2cnc(C(F)(F)F)s2)C1 ZINC000424200767 330326591 /nfs/dbraw/zinc/32/65/91/330326591.db2.gz RHGCHFVLHSJBCF-JGVFFNPUSA-N 0 1 275.299 2.944 20 30 CFEDMN C=CCCCCN[C@H](c1nc(C)no1)C1CCOCC1 ZINC000515206506 330473113 /nfs/dbraw/zinc/47/31/13/330473113.db2.gz QJMKXIWEEGRWAW-AWEZNQCLSA-N 0 1 279.384 2.792 20 30 CFEDMN N#CCC1(CNCc2cnc(C(F)(F)F)s2)CC1 ZINC000430032150 330557708 /nfs/dbraw/zinc/55/77/08/330557708.db2.gz BQINEDDBCNIPMD-UHFFFAOYSA-N 0 1 275.299 2.945 20 30 CFEDMN CCn1nc(CNCC2(CC#N)CC2)c2ccccc21 ZINC000430035412 330557831 /nfs/dbraw/zinc/55/78/31/330557831.db2.gz MFVXDVGNGZGYEJ-UHFFFAOYSA-N 0 1 268.364 2.840 20 30 CFEDMN C=C[C@@H]1OCC[C@H]1NCc1ncc(C(C)(C)C)s1 ZINC000449519128 330933320 /nfs/dbraw/zinc/93/33/20/330933320.db2.gz LOQDNWJWGBQGRE-MNOVXSKESA-N 0 1 266.410 2.874 20 30 CFEDMN C=CCN(CCOC)Cc1ccc(C(=O)OC)c(Cl)c1 ZINC000450840381 331002120 /nfs/dbraw/zinc/00/21/20/331002120.db2.gz XEAHPHMGJAOJRU-UHFFFAOYSA-N 0 1 297.782 2.761 20 30 CFEDMN C=CCC1(CNc2ncnc3[nH]cnc32)CCCC1 ZINC000450847354 331002624 /nfs/dbraw/zinc/00/26/24/331002624.db2.gz RGQGYPRNDDVCJT-UHFFFAOYSA-N 0 1 257.341 2.853 20 30 CFEDMN C=C(C)CN(Cc1ccc(CO)o1)CC1CCC(=O)CC1 ZINC000450979972 331009902 /nfs/dbraw/zinc/00/99/02/331009902.db2.gz CGCDCLBZJZZVHE-UHFFFAOYSA-N 0 1 291.391 2.909 20 30 CFEDMN C[C@@H](c1ccccc1)[C@H](O)CN(C)CC(C)(C)C#N ZINC000451067177 331014668 /nfs/dbraw/zinc/01/46/68/331014668.db2.gz WOFWJKZTHGMIBN-DZGCQCFKSA-N 0 1 260.381 2.633 20 30 CFEDMN COC(=O)[C@@H](CC(C)C)N(C)CCCC(C)(C)C#N ZINC000451270079 331022504 /nfs/dbraw/zinc/02/25/04/331022504.db2.gz RPWXPKBHZOENFK-CYBMUJFWSA-N 0 1 268.401 2.836 20 30 CFEDMN C=CCC1(C(=O)NCCN2CC=CCC2)CCCC1 ZINC000451346581 331025087 /nfs/dbraw/zinc/02/50/87/331025087.db2.gz FMFXPLXZJKRIRH-UHFFFAOYSA-N 0 1 262.397 2.501 20 30 CFEDMN C=C[C@@H]1OCC[C@H]1NCc1coc(-c2ccc(F)cc2)n1 ZINC000451600558 331035863 /nfs/dbraw/zinc/03/58/63/331035863.db2.gz RBTRWRHUFKRPQK-CABCVRRESA-N 0 1 288.322 2.914 20 30 CFEDMN C=CCOc1ccc(CN[C@@H](C)c2ccncn2)cc1 ZINC000453217873 331102742 /nfs/dbraw/zinc/10/27/42/331102742.db2.gz UZFBNIAAPBJDRX-ZDUSSCGKSA-N 0 1 269.348 2.892 20 30 CFEDMN C=CCC1(NC(=O)NCc2cn[nH]c2C)CCCCC1 ZINC000457805986 331234932 /nfs/dbraw/zinc/23/49/32/331234932.db2.gz XRQFRDGEWWKAMQ-UHFFFAOYSA-N 0 1 276.384 2.796 20 30 CFEDMN C=CC(C)(C)CNC(=O)N[C@H](C)c1n[nH]c(C(C)C)n1 ZINC000458993725 331265092 /nfs/dbraw/zinc/26/50/92/331265092.db2.gz XUKTZGCJFPEWGX-SNVBAGLBSA-N 0 1 279.388 2.501 20 30 CFEDMN N#C[C@H]1CCC[C@@H]1NCCC(=O)N1CCCc2ccccc21 ZINC000459452914 331281981 /nfs/dbraw/zinc/28/19/81/331281981.db2.gz BWNCDUWALYJHTG-CVEARBPZSA-N 0 1 297.402 2.638 20 30 CFEDMN C=C(C)CC[N@@H+]1CCc2c(cccc2C(=O)OC)C1 ZINC000459545492 331286988 /nfs/dbraw/zinc/28/69/88/331286988.db2.gz LWWBEIRJTHLCID-UHFFFAOYSA-N 0 1 259.349 2.798 20 30 CFEDMN COc1ccc(CNCC(C)(C)CC#N)c(OC)c1OC ZINC000459691631 331294667 /nfs/dbraw/zinc/29/46/67/331294667.db2.gz KTLCSGZVCMMURN-UHFFFAOYSA-N 0 1 292.379 2.742 20 30 CFEDMN C=CCCO[C@H](C)C(=O)Nc1nc2ccc(F)cc2[nH]1 ZINC000488947903 332034780 /nfs/dbraw/zinc/03/47/80/332034780.db2.gz UAEOSUDULIUTGO-SECBINFHSA-N 0 1 277.299 2.622 20 30 CFEDMN C=C[C@H]1CCCCN1CC(=O)NCc1ccc(Cl)cc1 ZINC000489409007 332050461 /nfs/dbraw/zinc/05/04/61/332050461.db2.gz WYQZUTQBDJVKKW-HNNXBMFYSA-N 0 1 292.810 2.997 20 30 CFEDMN C=C[C@@H]1CCCCN1CC(=O)N([C@@H](C)C1CC1)C1CC1 ZINC000489419642 332050834 /nfs/dbraw/zinc/05/08/34/332050834.db2.gz ABZPNVYUXCVWSB-DZGCQCFKSA-N 0 1 276.424 2.816 20 30 CFEDMN C=C[C@@H]1CCCCN1CC(=O)NCCCc1ccccc1 ZINC000489464110 332054269 /nfs/dbraw/zinc/05/42/69/332054269.db2.gz OHHGBUADTKALLK-QGZVFWFLSA-N 0 1 286.419 2.776 20 30 CFEDMN COCCN(CCCCC(C)(C)C#N)Cc1ccnn1C ZINC000489867404 332071217 /nfs/dbraw/zinc/07/12/17/332071217.db2.gz WQDJTJANMXPLCV-UHFFFAOYSA-N 0 1 292.427 2.589 20 30 CFEDMN C#CCN1CCC(C(=O)N([C@@H](C)[C@@H](C)CC)C2CC2)CC1 ZINC000490616099 332095311 /nfs/dbraw/zinc/09/53/11/332095311.db2.gz IGKULSLRCNWEAI-GJZGRUSLSA-N 0 1 290.451 2.757 20 30 CFEDMN C#CCN1CCC(C(=O)OCc2ccccc2Cl)CC1 ZINC000490652459 332100192 /nfs/dbraw/zinc/10/01/92/332100192.db2.gz YCPRLKJYOCJWJY-UHFFFAOYSA-N 0 1 291.778 2.728 20 30 CFEDMN C#CCN(C(=O)c1cc(-c2ccoc2)[nH]n1)C1CCCC1 ZINC000490803962 332116896 /nfs/dbraw/zinc/11/68/96/332116896.db2.gz REOFFJMLLYQHCD-UHFFFAOYSA-N 0 1 283.331 2.688 20 30 CFEDMN C#C[C@H](C)N(C)Cc1ccc(-c2cnn(C)c2)s1 ZINC000491201478 332164508 /nfs/dbraw/zinc/16/45/08/332164508.db2.gz ICMHEXZDGAJCIZ-NSHDSACASA-N 0 1 259.378 2.602 20 30 CFEDMN C#CCN(Cc1ccc(OCC)c(OC)c1)C1CC1 ZINC000491314213 332188083 /nfs/dbraw/zinc/18/80/83/332188083.db2.gz DYPZNXDXNJAGSH-UHFFFAOYSA-N 0 1 259.349 2.692 20 30 CFEDMN C#C[C@H](C)N(C)C(=O)c1cc(-c2ccc(Cl)cc2)[nH]n1 ZINC000491497348 332223677 /nfs/dbraw/zinc/22/36/77/332223677.db2.gz XIWCEEAQLDLSAN-JTQLQIEISA-N 0 1 287.750 2.824 20 30 CFEDMN C#C[C@H](C)N(C)Cc1c[nH]nc1-c1ccc(C)cc1 ZINC000491536970 332232334 /nfs/dbraw/zinc/23/23/34/332232334.db2.gz NILUUZAJYMNVFV-ZDUSSCGKSA-N 0 1 253.349 2.839 20 30 CFEDMN C#C[C@@H](NCc1cc(C(F)(F)F)n[nH]1)C(C)(C)C ZINC000491624470 332248195 /nfs/dbraw/zinc/24/81/95/332248195.db2.gz QQCIBOTUVLWEMT-SECBINFHSA-N 0 1 259.275 2.566 20 30 CFEDMN C#CCN(Cc1c[nH]nc1-c1ccsc1)C1CC1 ZINC000491637556 332258221 /nfs/dbraw/zinc/25/82/21/332258221.db2.gz WIBMYWXJLIYGQX-UHFFFAOYSA-N 0 1 257.362 2.736 20 30 CFEDMN C=CCCN1CCN(c2nc3ccccc3s2)CC1 ZINC000172621287 335112049 /nfs/dbraw/zinc/11/20/49/335112049.db2.gz VARUCQJYGJPYJF-UHFFFAOYSA-N 0 1 273.405 2.994 20 30 CFEDMN CCCN(CC#N)C(=O)CCc1nc2cccc(C)c2[nH]1 ZINC000175740138 333031276 /nfs/dbraw/zinc/03/12/76/333031276.db2.gz HJRYNGFJQXKRQD-UHFFFAOYSA-N 0 1 284.363 2.566 20 30 CFEDMN CCC1(CC)CCN(CC(=O)N[C@@](C)(C#N)C(C)C)CC1 ZINC000186555445 333162821 /nfs/dbraw/zinc/16/28/21/333162821.db2.gz DEBBLSFNBNQVSR-INIZCTEOSA-N 0 1 293.455 2.943 20 30 CFEDMN C=CCCCCCN(CC(N)=O)Cc1ccccc1 ZINC000193345885 333248385 /nfs/dbraw/zinc/24/83/85/333248385.db2.gz FJEAZRZZUXVODA-UHFFFAOYSA-N 0 1 260.381 2.720 20 30 CFEDMN CCOC(=O)[C@H]1CCCN1CCCCC(C)(C)C#N ZINC000233715991 333354727 /nfs/dbraw/zinc/35/47/27/333354727.db2.gz OVEDHCJIOYNOON-CYBMUJFWSA-N 0 1 266.385 2.734 20 30 CFEDMN C=C[C@@H]1OCCC[C@H]1NCc1ncccc1Cl ZINC000528521177 333444038 /nfs/dbraw/zinc/44/40/38/333444038.db2.gz RKLVWYLAQZVJDN-YPMHNXCESA-N 0 1 252.745 2.558 20 30 CFEDMN C=CCCN1CCC[C@@H]1C(=O)Nc1cc(C)ccc1OC ZINC000133147068 334019940 /nfs/dbraw/zinc/01/99/40/334019940.db2.gz NMYWQBKCHHMAOR-OAHLLOKOSA-N 0 1 288.391 2.983 20 30 CFEDMN CC(C)(C)CN(CCC#N)CCCSCC#N ZINC000074991314 334022170 /nfs/dbraw/zinc/02/21/70/334022170.db2.gz XFVMDYAYCNHHKE-UHFFFAOYSA-N 0 1 253.415 2.895 20 30 CFEDMN C=C(C)COCCNCc1cc([N+](=O)[O-])ccc1OCC ZINC000134508349 334092484 /nfs/dbraw/zinc/09/24/84/334092484.db2.gz CKZGMZDVDLOGHZ-UHFFFAOYSA-N 0 1 294.351 2.676 20 30 CFEDMN COc1cc(C)c(C[C@@H](C)NC[C@H](C)C#N)cc1OC ZINC000548869908 334177689 /nfs/dbraw/zinc/17/76/89/334177689.db2.gz WHRLGBNUHKSVTL-DGCLKSJQSA-N 0 1 276.380 2.693 20 30 CFEDMN N#C[C@H]1CC[C@@H](N2CCN(Cc3ccsc3)CC2)C1 ZINC000549746817 334203547 /nfs/dbraw/zinc/20/35/47/334203547.db2.gz CZJKGBCGMGVXAC-DZGCQCFKSA-N 0 1 275.421 2.558 20 30 CFEDMN C[C@H](NCC1(CC#N)CC1)c1cn2ccccc2n1 ZINC000550930945 334233949 /nfs/dbraw/zinc/23/39/49/334233949.db2.gz NSMWQGMUIKMOTE-LBPRGKRZSA-N 0 1 254.337 2.679 20 30 CFEDMN C[C@H](O)[C@@H]1CCCN(CC#Cc2cccc(Cl)c2)C1 ZINC000089932888 334354027 /nfs/dbraw/zinc/35/40/27/334354027.db2.gz ZVAQKRUQQCGADG-DZGCQCFKSA-N 0 1 277.795 2.784 20 30 CFEDMN CCCC[C@@H](C(=O)OC)N1CCC(CCC#N)CC1 ZINC000564915709 334527836 /nfs/dbraw/zinc/52/78/36/334527836.db2.gz AUFKTDBBUVWVEX-AWEZNQCLSA-N 0 1 266.385 2.734 20 30 CFEDMN C[C@H](NCC(C)(C)CC#N)c1cn2ccccc2n1 ZINC000566983755 334672005 /nfs/dbraw/zinc/67/20/05/334672005.db2.gz PJIBPBOSPJAQDN-LBPRGKRZSA-N 0 1 256.353 2.925 20 30 CFEDMN CC[C@@H](CC#N)NCCN1CCCc2ccccc21 ZINC000568180759 334801109 /nfs/dbraw/zinc/80/11/09/334801109.db2.gz BGYQVRMJVYEOSD-HNNXBMFYSA-N 0 1 257.381 2.721 20 30 CFEDMN CC(C)(C#N)CCS(=O)(=O)Nc1scnc1C1CC1 ZINC000580557203 335280239 /nfs/dbraw/zinc/28/02/39/335280239.db2.gz KYUPJLOULAKQJG-UHFFFAOYSA-N 0 1 299.421 2.702 20 30 CFEDMN N#CCN(C(=O)c1cccc(C(F)(F)F)c1O)C1CC1 ZINC000579611822 335822098 /nfs/dbraw/zinc/82/20/98/335822098.db2.gz YHVFROIFCQLDMC-UHFFFAOYSA-N 0 1 284.237 2.539 20 30 CFEDMN C=CCOCCC[N@@H+](CC1CC1)[C@](C)(CC)C(=O)[O-] ZINC000581835702 336150211 /nfs/dbraw/zinc/15/02/11/336150211.db2.gz HVAUROVJZOGOGU-OAHLLOKOSA-N 0 1 269.385 2.544 20 30 CFEDMN C=C(C)CN1CC[C@H]1CN(C)C(=O)[C@@H]1C[C@@H]2C=C[C@H]1CC2 ZINC001085607118 782112291 /nfs/dbraw/zinc/11/22/91/782112291.db2.gz HQZMWQTUVWWLHH-LTIDMASMSA-N 0 1 288.435 2.698 20 30 CFEDMN C#CCCN1CC[C@H]1CN(C)C(=O)c1sc(C)cc1C ZINC001085619388 782117641 /nfs/dbraw/zinc/11/76/41/782117641.db2.gz NNINNXODOOQUMM-AWEZNQCLSA-N 0 1 290.432 2.535 20 30 CFEDMN CC(C)[N@H+]1CCC[C@@H]1C(=O)NC1(c2cccc(C#N)c2)CC1 ZINC000935026253 649866426 /nfs/dbraw/zinc/86/64/26/649866426.db2.gz DMAGGKVGAPDJBO-MRXNPFEDSA-N 0 1 297.402 2.536 20 30 CFEDMN C=C(C)CN1CC[C@@H]1CN(C)C(=O)[C@@H]1CC[C@@H]2C[C@@H]2CC1 ZINC001085738030 782147030 /nfs/dbraw/zinc/14/70/30/782147030.db2.gz DNMAOPFJEDOKLI-WCXIOVBPSA-N 0 1 290.451 2.922 20 30 CFEDMN N#Cc1cnc2ccc(-c3ccc(O)c(F)c3F)cn12 ZINC001243343514 782149728 /nfs/dbraw/zinc/14/97/28/782149728.db2.gz ZCTPEOCQOHECKN-UHFFFAOYSA-N 0 1 271.226 2.857 20 30 CFEDMN C[C@H](NC(=O)[C@H]1CCc2[nH]nnc2C1)C1CCCCC1 ZINC000329046299 534281262 /nfs/dbraw/zinc/28/12/62/534281262.db2.gz UZJIUQOHVVRFRG-JQWIXIFHSA-N 0 1 276.384 2.835 20 30 CFEDMN C[C@H](NC(=O)[C@H]1CCc2nn[nH]c2C1)C1CCCCC1 ZINC000329046299 534281263 /nfs/dbraw/zinc/28/12/63/534281263.db2.gz UZJIUQOHVVRFRG-JQWIXIFHSA-N 0 1 276.384 2.835 20 30 CFEDMN C=CCCN1CC[C@H]1CN(C)C(=O)c1nc(Cl)cs1 ZINC001085781662 782161495 /nfs/dbraw/zinc/16/14/95/782161495.db2.gz BIGPDRFJLGXLPZ-JTQLQIEISA-N 0 1 299.827 2.519 20 30 CFEDMN CC(C)OC(=O)CCN1CC=C(c2ccc(C#N)cc2)CC1 ZINC000374312516 519745242 /nfs/dbraw/zinc/74/52/42/519745242.db2.gz RTHAXGLWATUDDU-UHFFFAOYSA-N 0 1 298.386 2.989 20 30 CFEDMN CC(C)[C@@]1(CO)CCN(Cc2cn3ccccc3c2C#N)C1 ZINC000368065262 519809033 /nfs/dbraw/zinc/80/90/33/519809033.db2.gz OYLMJUGSQASPMV-SFHVURJKSA-N 0 1 297.402 2.651 20 30 CFEDMN CCN(C(=O)c1ccn[nH]1)[C@@H](C)c1ccc(C#N)cc1 ZINC000049221911 520077637 /nfs/dbraw/zinc/07/76/37/520077637.db2.gz QZWASRYQMAPOSL-NSHDSACASA-N 0 1 268.320 2.505 20 30 CFEDMN CCN(CC)CC(=O)N(CCC#N)c1cccc(C)c1C ZINC000051589567 520572435 /nfs/dbraw/zinc/57/24/35/520572435.db2.gz IHRXYNHPIKKCHT-UHFFFAOYSA-N 0 1 287.407 2.892 20 30 CFEDMN CC1(O)C[C@H]2CC[C@@H](C1)N2Cc1cc(C#N)ccc1F ZINC000366694098 520777891 /nfs/dbraw/zinc/77/78/91/520777891.db2.gz ZSYMQIFMMVDHSU-MZBDJJRSSA-N 0 1 274.339 2.575 20 30 CFEDMN CCCC[C@H](C)C(=O)N=c1[nH]n(C(C)C)cc1C#N ZINC000337089513 521132594 /nfs/dbraw/zinc/13/25/94/521132594.db2.gz KANODIIKGQHSRJ-NSHDSACASA-N 0 1 262.357 2.522 20 30 CFEDMN CCN(Cc1cc(C#N)n(C)c1)Cc1ccc2c(c1)OCO2 ZINC000191187474 521285764 /nfs/dbraw/zinc/28/57/64/521285764.db2.gz SGWZMSBJONDMEY-UHFFFAOYSA-N 0 1 297.358 2.648 20 30 CFEDMN CCN(Cc1ccc(C#N)cc1Cl)CC(C)(C)O ZINC000162920863 521298101 /nfs/dbraw/zinc/29/81/01/521298101.db2.gz DXHCDERDGNXRDC-UHFFFAOYSA-N 0 1 266.772 2.804 20 30 CFEDMN CCN1C[C@H](C)N(C(=O)[C@@H](C)c2cccc(C#N)c2)C[C@@H]1C ZINC000360393361 521728815 /nfs/dbraw/zinc/72/88/15/521728815.db2.gz KPWAPNBTLOPQCZ-KKUMJFAQSA-N 0 1 299.418 2.603 20 30 CFEDMN CCN1C[C@H](C)N(C(=O)[C@H](C)c2cccc(C#N)c2)C[C@@H]1C ZINC000360393363 521728887 /nfs/dbraw/zinc/72/88/87/521728887.db2.gz KPWAPNBTLOPQCZ-SOUVJXGZSA-N 0 1 299.418 2.603 20 30 CFEDMN CC[C@H](C)c1nc([C@H](C)NC(=O)c2ccc(C#N)cc2)n[nH]1 ZINC000276839155 522051476 /nfs/dbraw/zinc/05/14/76/522051476.db2.gz AKRZDJXMZHTFNY-QWRGUYRKSA-N 0 1 297.362 2.681 20 30 CFEDMN CCc1nnc(SCc2ccc(F)cc2C#N)[nH]1 ZINC000077566057 522135371 /nfs/dbraw/zinc/13/53/71/522135371.db2.gz MDYPGVGCIMHXIS-UHFFFAOYSA-N 0 1 262.313 2.670 20 30 CFEDMN CCc1n[nH]c(SCc2ccc(F)cc2C#N)n1 ZINC000077566057 522135379 /nfs/dbraw/zinc/13/53/79/522135379.db2.gz MDYPGVGCIMHXIS-UHFFFAOYSA-N 0 1 262.313 2.670 20 30 CFEDMN CC[C@@H](C)n1ncc(NC(=O)c2ccc(C#N)c(O)c2)c1C ZINC000361305391 522460268 /nfs/dbraw/zinc/46/02/68/522460268.db2.gz MXZITLTXEJQXEE-SNVBAGLBSA-N 0 1 298.346 2.992 20 30 CFEDMN COc1cc(CNCc2c[nH]nc2C(C)(C)C)ccc1C#N ZINC000353219150 522462878 /nfs/dbraw/zinc/46/28/78/522462878.db2.gz AANKSMMEKHLQRV-UHFFFAOYSA-N 0 1 298.390 2.877 20 30 CFEDMN COC[C@H]1CCN(Cc2ccc(C#N)cc2Cl)C1 ZINC000162913820 522845417 /nfs/dbraw/zinc/84/54/17/522845417.db2.gz JEPDVSYXIGSHGF-LBPRGKRZSA-N 0 1 264.756 2.680 20 30 CFEDMN CN(Cc1ccc(C#N)cc1Cl)CC1(O)CCCC1 ZINC000162939929 523213106 /nfs/dbraw/zinc/21/31/06/523213106.db2.gz GAAANRLJGRDOPJ-UHFFFAOYSA-N 0 1 278.783 2.949 20 30 CFEDMN CN(Cc1ccc(F)cc1C#N)C[C@@H]1CCCC[C@@H]1O ZINC000305816739 523255607 /nfs/dbraw/zinc/25/56/07/523255607.db2.gz OSEARVCGMOALEF-BBRMVZONSA-N 0 1 276.355 2.680 20 30 CFEDMN CC[C@]1(CO)CCCN(Cc2ccc(C#N)c(F)c2)C1 ZINC000192206991 523615045 /nfs/dbraw/zinc/61/50/45/523615045.db2.gz BEXZPIUWSXWMJF-INIZCTEOSA-N 0 1 276.355 2.682 20 30 CFEDMN COc1ccc(CNCc2ccc(C#N)cc2)cc1[N+](=O)[O-] ZINC000314489657 524073058 /nfs/dbraw/zinc/07/30/58/524073058.db2.gz RAWTUKGNJAQRCK-UHFFFAOYSA-N 0 1 297.314 2.765 20 30 CFEDMN O=C(CC[C@@H]1CCCO1)N[C@H]1CCCc2cn[nH]c21 ZINC000330100653 534766115 /nfs/dbraw/zinc/76/61/15/534766115.db2.gz DPGJXSJURYMLPB-RYUDHWBXSA-N 0 1 263.341 2.703 20 30 CFEDMN Cc1csc(C2(NC(=O)CCc3nc[nH]n3)CCC2)n1 ZINC000330261295 534793155 /nfs/dbraw/zinc/79/31/55/534793155.db2.gz UDOFBVBZYPXHNA-UHFFFAOYSA-N 0 1 291.380 2.538 20 30 CFEDMN CSCCN(C)Cc1ccc(C#N)cc1OC(F)F ZINC000361571565 525495564 /nfs/dbraw/zinc/49/55/64/525495564.db2.gz MIWIPTYYTUTPBP-UHFFFAOYSA-N 0 1 286.347 2.954 20 30 CFEDMN C[C@@H](N[C@@H](CO)c1ccccc1)c1cccc(C#N)c1 ZINC000063000375 525627290 /nfs/dbraw/zinc/62/72/90/525627290.db2.gz AXJVOXRBGIVAGR-DYVFJYSZSA-N 0 1 266.344 2.942 20 30 CFEDMN C=CCN(Cc1cc(C(=O)OC)n(C)c1)Cc1ccccc1 ZINC000347634000 526333190 /nfs/dbraw/zinc/33/31/90/526333190.db2.gz IGJBSNUPCLADNX-UHFFFAOYSA-N 0 1 298.386 3.000 20 30 CFEDMN N#Cc1c(CN2CCC(CCCO)CC2)cn2ccccc12 ZINC000360083686 526517622 /nfs/dbraw/zinc/51/76/22/526517622.db2.gz GIEPWQUBYHVFQS-UHFFFAOYSA-N 0 1 297.402 2.795 20 30 CFEDMN C=C(C)CN(Cc1ccc(CO)o1)C[C@H]1CC[C@@H](C)O1 ZINC000352813541 526559708 /nfs/dbraw/zinc/55/97/08/526559708.db2.gz DHAOHJTZJVXWBF-ZIAGYGMSSA-N 0 1 279.380 2.718 20 30 CFEDMN C=CCNC(=O)CN[C@@H](CC)c1cc(Cl)ccc1OC ZINC000347347590 526571062 /nfs/dbraw/zinc/57/10/62/526571062.db2.gz UPQCDSSVQAEQIF-ZDUSSCGKSA-N 0 1 296.798 2.692 20 30 CFEDMN N#Cc1ccc(-c2cnc(CNC3(CO)CCCC3)o2)cc1 ZINC000360697871 526583105 /nfs/dbraw/zinc/58/31/05/526583105.db2.gz JVLQEWSUDKQBMX-UHFFFAOYSA-N 0 1 297.358 2.608 20 30 CFEDMN N#Cc1ccc(C(=O)Nc2cc(Cl)c(O)cc2F)[nH]1 ZINC000335120072 526600976 /nfs/dbraw/zinc/60/09/76/526600976.db2.gz MPTYUQOBLWVLNS-UHFFFAOYSA-N 0 1 279.658 2.637 20 30 CFEDMN CN(Cc1cc(C(C)(C)C)[nH]n1)c1ccc(C#N)nc1 ZINC000444882276 536456256 /nfs/dbraw/zinc/45/62/56/536456256.db2.gz XHBIFSGVEZJKHD-UHFFFAOYSA-N 0 1 269.352 2.610 20 30 CFEDMN N#Cc1cccc(CNCc2cc(-c3cccnc3)n[nH]2)c1 ZINC000360911784 526709751 /nfs/dbraw/zinc/70/97/51/526709751.db2.gz FNSIVNYLSMNDRK-UHFFFAOYSA-N 0 1 289.342 2.633 20 30 CFEDMN N#Cc1ccccc1CN1CCC[C@]2(CCOC2)C1 ZINC000336225047 526735442 /nfs/dbraw/zinc/73/54/42/526735442.db2.gz YVBPRPMGFCHAKT-INIZCTEOSA-N 0 1 256.349 2.561 20 30 CFEDMN N#Cc1ccccc1CN1CC[C@]2(O)CCCC[C@H]2C1 ZINC000227360869 526736766 /nfs/dbraw/zinc/73/67/66/526736766.db2.gz VAUVNSOCMOESHP-DLBZAZTESA-N 0 1 270.376 2.685 20 30 CFEDMN C#CCCOc1ccc(CN[C@H](CO)c2ccccc2)cc1 ZINC000116345453 526745345 /nfs/dbraw/zinc/74/53/45/526745345.db2.gz VMNYLPCNVJMLBO-LJQANCHMSA-N 0 1 295.382 2.912 20 30 CFEDMN C#CCCOc1ccc(CNCc2cccnc2OC)cc1 ZINC000113320310 526745647 /nfs/dbraw/zinc/74/56/47/526745647.db2.gz HTPFCWWAESBEJS-UHFFFAOYSA-N 0 1 296.370 2.782 20 30 CFEDMN N#Cc1ccnc(C(=O)Nc2cccc(Cl)c2O)c1 ZINC000339352998 526758244 /nfs/dbraw/zinc/75/82/44/526758244.db2.gz TUZUXBPTZAFDLM-UHFFFAOYSA-N 0 1 273.679 2.565 20 30 CFEDMN C=C(C)[C@H]1OCC[C@H]1c1nc(C2(N)CCCCC2)no1 ZINC000333594443 526849402 /nfs/dbraw/zinc/84/94/02/526849402.db2.gz PONPJLNIPILEDS-VXGBXAGGSA-N 0 1 277.368 2.636 20 30 CFEDMN COC[C@H]1CCCCN1Cc1ccc(C#N)s1 ZINC000449758957 536507254 /nfs/dbraw/zinc/50/72/54/536507254.db2.gz IJEMCQIWOJZNKM-LLVKDONJSA-N 0 1 250.367 2.621 20 30 CFEDMN C=CCC(CC=C)C(=O)N1[C@H](C)CN(CC)C[C@H]1C ZINC000344470117 527026722 /nfs/dbraw/zinc/02/67/22/527026722.db2.gz VKLOYAKRHXSNCV-ZIAGYGMSSA-N 0 1 264.413 2.696 20 30 CFEDMN C=CCCN1CC[C@H]1CN(C)C(=O)c1coc(C(F)F)c1 ZINC001085785945 782164620 /nfs/dbraw/zinc/16/46/20/782164620.db2.gz CEFASSKELPCVSZ-LBPRGKRZSA-N 0 1 298.333 2.940 20 30 CFEDMN Cc1nc2ccc(NC(=O)c3cccc(C#N)c3)cc2[nH]1 ZINC000055228306 527146679 /nfs/dbraw/zinc/14/66/79/527146679.db2.gz SPJXNVBLTLZSGI-UHFFFAOYSA-N 0 1 276.299 2.995 20 30 CFEDMN Cn1cc(CN2CCC[C@H]2c2ccco2)cc1C#N ZINC000191351038 527202611 /nfs/dbraw/zinc/20/26/11/527202611.db2.gz UEZWXPJHWXNXNH-AWEZNQCLSA-N 0 1 255.321 2.827 20 30 CFEDMN C=CCCN(C)C(=O)c1ccc(Nc2ccncc2)cc1 ZINC000346854410 527317462 /nfs/dbraw/zinc/31/74/62/527317462.db2.gz UAPOZQGYCKOCLP-UHFFFAOYSA-N 0 1 281.359 2.895 20 30 CFEDMN C=CCC[C@H](NCc1ccc(C(N)=O)nc1)c1ccco1 ZINC000353531855 527485103 /nfs/dbraw/zinc/48/51/03/527485103.db2.gz PPZMVGUBPNQRMM-ZDUSSCGKSA-N 0 1 285.347 2.571 20 30 CFEDMN C=C[C@H]1CCCCN1C(=O)c1cccc(-c2nnc[nH]2)c1 ZINC000336102082 527604484 /nfs/dbraw/zinc/60/44/84/527604484.db2.gz WJNMGCAHELIYCV-AWEZNQCLSA-N 0 1 282.347 2.652 20 30 CFEDMN Cc1nn(C)c(C)c1[C@@H]1CCCN1Cc1cc(C#N)n(C)c1 ZINC000191343315 527659741 /nfs/dbraw/zinc/65/97/41/527659741.db2.gz KMRPQEXCKAYWMY-INIZCTEOSA-N 0 1 297.406 2.584 20 30 CFEDMN Cc1nn(C)c(C)c1[C@H]1CCCN1Cc1cc(C#N)n(C)c1 ZINC000191343332 527662891 /nfs/dbraw/zinc/66/28/91/527662891.db2.gz KMRPQEXCKAYWMY-MRXNPFEDSA-N 0 1 297.406 2.584 20 30 CFEDMN CC(C)C[C@@H](N)c1noc(CCc2ccc(C#N)cc2)n1 ZINC000414622149 528350471 /nfs/dbraw/zinc/35/04/71/528350471.db2.gz SBEWXCJUVFBNIN-CQSZACIVSA-N 0 1 284.363 2.772 20 30 CFEDMN CCC[C@]1(CO)CCCN1Cc1ccc(F)cc1C#N ZINC000444779499 535768213 /nfs/dbraw/zinc/76/82/13/535768213.db2.gz YRGMJHIKZAALJL-MRXNPFEDSA-N 0 1 276.355 2.824 20 30 CFEDMN COc1cc(C#N)ccc1CN1CC2(CCC2)[C@@H]2COC[C@H]21 ZINC000459672305 536878113 /nfs/dbraw/zinc/87/81/13/536878113.db2.gz LFBWBPVSDOFUED-HZPDHXFCSA-N 0 1 298.386 2.568 20 30 CFEDMN C=C(C)CN1CC[C@@H]1CN(C)C(=O)[C@@H]1CCC(C)(C)C1 ZINC001085803676 782170330 /nfs/dbraw/zinc/17/03/30/782170330.db2.gz UKSWFLAFWPXPMU-HUUCEWRRSA-N 0 1 278.440 2.922 20 30 CFEDMN C=C(C)CN1CC[C@H]1CN(C)C(=O)[C@@H]1C[C@H]1CC(C)C ZINC001085829429 782178152 /nfs/dbraw/zinc/17/81/52/782178152.db2.gz XDADJRVBFAKCJU-OWCLPIDISA-N 0 1 278.440 2.777 20 30 CFEDMN N#Cc1ccc(O)c(NC(=O)C[C@H]2CC[C@@H](C3CC3)O2)c1 ZINC000935106365 649875959 /nfs/dbraw/zinc/87/59/59/649875959.db2.gz DCJGHOYIEZMFTO-DOMZBBRYSA-N 0 1 286.331 2.550 20 30 CFEDMN C[C@@H]1CC(NC(=O)c2cc(C3CC3)oc2C2CC2)=NO1 ZINC000935137186 649879628 /nfs/dbraw/zinc/87/96/28/649879628.db2.gz UJJDYKVXCCAMHP-MRVPVSSYSA-N 0 1 274.320 2.887 20 30 CFEDMN C=C[C@H](CC)CC(=O)N[C@@H](C)c1n[nH]c(C(C)C)n1 ZINC000935147826 649880323 /nfs/dbraw/zinc/88/03/23/649880323.db2.gz VHOZCOSBKLHGRE-WDEREUQCSA-N 0 1 264.373 2.708 20 30 CFEDMN C=CCCCCCN(C)CN1C[C@H](CC)CC1=O ZINC000755919221 574052073 /nfs/dbraw/zinc/05/20/73/574052073.db2.gz IXNKVFOTIRMRMP-CQSZACIVSA-N 0 1 252.402 2.881 20 30 CFEDMN CC(=NNC1=N[C@@H]2CCCC[C@@H]2N1)c1ccc(F)c(F)c1 ZINC000753934222 574055896 /nfs/dbraw/zinc/05/58/96/574055896.db2.gz HOKZREURIJVWCH-OKILXGFUSA-N 0 1 292.333 2.549 20 30 CFEDMN Cc1cccc2[nH]cc(C=NNC3=N[C@@H]4CCCC[C@H]4N3)c21 ZINC000753934139 574056190 /nfs/dbraw/zinc/05/61/90/574056190.db2.gz GYUFLMFWJOIWGV-ZIAGYGMSSA-N 0 1 295.390 2.670 20 30 CFEDMN CC(=NNC1=N[C@@H]2CCCC[C@@H]2N1)c1ccc(F)cc1C ZINC000753936840 574056548 /nfs/dbraw/zinc/05/65/48/574056548.db2.gz URTPFUWGEKUWCW-GASCZTMLSA-N 0 1 288.370 2.718 20 30 CFEDMN C(=NNC1=N[C@H]2CCCC[C@@H]2N1)c1ccccc1C1CC1 ZINC000753936342 574056789 /nfs/dbraw/zinc/05/67/89/574056789.db2.gz SYJZSTGYPHJBNM-HOTGVXAUSA-N 0 1 282.391 2.758 20 30 CFEDMN CC(=NNC1=N[C@H]2CCCC[C@@H]2N1)c1cc(F)cc(F)c1 ZINC000753938950 574057073 /nfs/dbraw/zinc/05/70/73/574057073.db2.gz NGHVGLOLEKPCKL-KBPBESRZSA-N 0 1 292.333 2.549 20 30 CFEDMN CN(C)c1ccc(C=[NH+][N-]c2cncc(Cl)n2)cc1F ZINC000727651092 574058716 /nfs/dbraw/zinc/05/87/16/574058716.db2.gz HUEPLKXUSBHIMC-UHFFFAOYSA-N 0 1 293.733 2.781 20 30 CFEDMN CCc1cc(CNc2cc(C#N)ccc2C(C)=O)n[nH]1 ZINC000754034978 574064874 /nfs/dbraw/zinc/06/48/74/574064874.db2.gz FBSGMTZUUHLIGM-UHFFFAOYSA-N 0 1 268.320 2.658 20 30 CFEDMN CO[C@@H](C)C(=O)C(C#N)c1nc2cc(F)ccc2s1 ZINC000730416324 574080719 /nfs/dbraw/zinc/08/07/19/574080719.db2.gz CLBRVQYPEBOZLC-IONNQARKSA-N 0 1 278.308 2.647 20 30 CFEDMN C#CCC(C)(C)C(=O)N[C@H](C)c1n[nH]c([C@H](C)CC)n1 ZINC000754419689 574095206 /nfs/dbraw/zinc/09/52/06/574095206.db2.gz IDRDJCKXPXYOGB-GHMZBOCLSA-N 0 1 276.384 2.545 20 30 CFEDMN N#Cc1cccc(COC(=O)c2cccc3[nH]ncc32)c1 ZINC000730928745 574104077 /nfs/dbraw/zinc/10/40/77/574104077.db2.gz ILUXZXASXWSQJC-UHFFFAOYSA-N 0 1 277.283 2.792 20 30 CFEDMN COC(=O)c1ccc(/C=C/C(=O)c2ccc(O)c(F)c2)[nH]1 ZINC000751515030 574111546 /nfs/dbraw/zinc/11/15/46/574111546.db2.gz XTTIJRGGWQCIKI-QPJJXVBHSA-N 0 1 289.262 2.542 20 30 CFEDMN CC(C)(C)n1cc(CN=Nc2ccc(F)cn2)cn1 ZINC000731319202 574116596 /nfs/dbraw/zinc/11/65/96/574116596.db2.gz SWCOKODAHIDXLQ-UHFFFAOYSA-N 0 1 261.304 2.618 20 30 CFEDMN O=[N+]([O-])c1ccc(CN=Nc2ccc(F)cn2)cc1 ZINC000731320353 574116733 /nfs/dbraw/zinc/11/67/33/574116733.db2.gz YMQSJCIRIWNPAJ-UHFFFAOYSA-N 0 1 260.228 2.575 20 30 CFEDMN Cc1nc(C(C)N=Nc2ccc(F)cn2)cs1 ZINC000731321582 574116855 /nfs/dbraw/zinc/11/68/55/574116855.db2.gz KZMMTZPRVFJXEJ-UHFFFAOYSA-N 0 1 250.302 2.822 20 30 CFEDMN Cc1cc([N-][NH+]=Cc2ccc(N3CCCCC3)o2)ncn1 ZINC000731935673 574135672 /nfs/dbraw/zinc/13/56/72/574135672.db2.gz LDTIUWPJGQBKLB-UHFFFAOYSA-N 0 1 285.351 2.814 20 30 CFEDMN N#Cc1ccc(NCc2n[nH]c(-c3ccccc3)n2)cc1 ZINC000728910685 574136232 /nfs/dbraw/zinc/13/62/32/574136232.db2.gz ICGSPKXHZCVYRN-UHFFFAOYSA-N 0 1 275.315 2.955 20 30 CFEDMN N#Cc1ccc(NCc2nc(-c3ccccc3)n[nH]2)cc1 ZINC000728910685 574136234 /nfs/dbraw/zinc/13/62/34/574136234.db2.gz ICGSPKXHZCVYRN-UHFFFAOYSA-N 0 1 275.315 2.955 20 30 CFEDMN Clc1ccc2ncc(C=NNc3ccccn3)n2c1 ZINC000737420044 574140262 /nfs/dbraw/zinc/14/02/62/574140262.db2.gz BZZBIOLRWFZBNJ-UHFFFAOYSA-N 0 1 271.711 2.829 20 30 CFEDMN CCCCCC[C@](C)(NC(=O)C(C)C#N)C(=O)OCC ZINC000746228692 574140895 /nfs/dbraw/zinc/14/08/95/574140895.db2.gz DHTAKWNCKKVZAG-WFASDCNBSA-N 0 1 282.384 2.554 20 30 CFEDMN C[N@@H+](Cc1cccc(F)c1)[C@@H](C(=O)[O-])c1ccc(C#N)cc1 ZINC000737486467 574144267 /nfs/dbraw/zinc/14/42/67/574144267.db2.gz MHKINLVNRHJOAB-MRXNPFEDSA-N 0 1 298.317 2.955 20 30 CFEDMN C[N@@H+](Cc1ccccc1)[C@H](C(=O)[O-])c1ccc(C#N)cc1 ZINC000737492898 574144679 /nfs/dbraw/zinc/14/46/79/574144679.db2.gz XYCIMTKOINHBFC-INIZCTEOSA-N 0 1 280.327 2.816 20 30 CFEDMN C=CC[N@H+](CCCc1ccc(Cl)cc1)CC(=O)[O-] ZINC000737534466 574146841 /nfs/dbraw/zinc/14/68/41/574146841.db2.gz OABOPVGIHOCMLI-UHFFFAOYSA-N 0 1 267.756 2.845 20 30 CFEDMN C(=NNc1ccc2ccccc2n1)c1cnn2cccnc12 ZINC000755487371 574165484 /nfs/dbraw/zinc/16/54/84/574165484.db2.gz GGUQUCVIBKNOOB-UHFFFAOYSA-N 0 1 288.314 2.724 20 30 CFEDMN CC(C)n1cc(C=NNc2nc3ccccc3n2C)cn1 ZINC000732712937 574166705 /nfs/dbraw/zinc/16/67/05/574166705.db2.gz SVWOUFGRYVFJOX-UHFFFAOYSA-N 0 1 282.351 2.797 20 30 CFEDMN Cc1nn(C)cc1C=NNc1nccc2sccc21 ZINC000755649097 574174994 /nfs/dbraw/zinc/17/49/94/574174994.db2.gz APOWSJDXSIPMHU-UHFFFAOYSA-N 0 1 271.349 2.784 20 30 CFEDMN Cc1nc[nH]c1C=NNc1ccc(OC(F)F)cc1 ZINC000755683245 574177964 /nfs/dbraw/zinc/17/79/64/574177964.db2.gz OUNXFAZCAVRUMR-UHFFFAOYSA-N 0 1 266.251 2.766 20 30 CFEDMN CC(C)(C)C[N@@H+](CCC#N)C[C@@H]1CCCN(C(=O)[O-])C1 ZINC000738697583 574181181 /nfs/dbraw/zinc/18/11/81/574181181.db2.gz GVHRWYRUKVBCAO-ZDUSSCGKSA-N 0 1 281.400 2.638 20 30 CFEDMN CC(C)OCC(=O)C(C#N)c1nc(C(C)C)cs1 ZINC000747196624 574187048 /nfs/dbraw/zinc/18/70/48/574187048.db2.gz OOBNHVCQRVIEAG-JTQLQIEISA-N 0 1 266.366 2.868 20 30 CFEDMN Fc1ccc(C=NNC2=N[C@H]3CCCC[C@@H]3N2)cc1Cl ZINC000755815278 574189081 /nfs/dbraw/zinc/18/90/81/574189081.db2.gz SGDYAFFYVDXYJF-STQMWFEESA-N 0 1 294.761 2.673 20 30 CFEDMN Fc1ccc(C=NNC2=N[C@@H]3CCCC[C@@H]3N2)cc1Cl ZINC000755815276 574189247 /nfs/dbraw/zinc/18/92/47/574189247.db2.gz SGDYAFFYVDXYJF-BETUJISGSA-N 0 1 294.761 2.673 20 30 CFEDMN C[C@@H]1CN(C2CC2)CC1N=Nc1cnc2ccccc2n1 ZINC000755890287 574194245 /nfs/dbraw/zinc/19/42/45/574194245.db2.gz SUMWQOPTQNWSNN-LLVKDONJSA-N 0 1 281.363 2.512 20 30 CFEDMN COc1ccc2c(c1)OCC2=NNc1cc(C)ccn1 ZINC000755901120 574195412 /nfs/dbraw/zinc/19/54/12/574195412.db2.gz BQMZMDAYMNUJJZ-UHFFFAOYSA-N 0 1 269.304 2.607 20 30 CFEDMN COc1ccc2c(c1)OCC2=N[N-]c1cc(C)cc[nH+]1 ZINC000755901120 574195413 /nfs/dbraw/zinc/19/54/13/574195413.db2.gz BQMZMDAYMNUJJZ-UHFFFAOYSA-N 0 1 269.304 2.607 20 30 CFEDMN C=CCN1c2ccccc2C(=NNc2cc(C)ccn2)C1=O ZINC000755904454 574196223 /nfs/dbraw/zinc/19/62/23/574196223.db2.gz YIIWAWRNUAACHI-UHFFFAOYSA-N 0 1 292.342 2.739 20 30 CFEDMN N#C[C@H](C(=O)NC1CCCCC1)C(=O)[C@@H]1CC12CCCC2 ZINC000747481415 574197892 /nfs/dbraw/zinc/19/78/92/574197892.db2.gz ZOMBBXCJBIHNOA-KBPBESRZSA-N 0 1 288.391 2.724 20 30 CFEDMN C#CCCCCCC(=O)N[C@H](c1nnc[nH]1)c1ccccc1 ZINC000756126590 574211862 /nfs/dbraw/zinc/21/18/62/574211862.db2.gz YRHQJVQNJZJPQH-INIZCTEOSA-N 0 1 296.374 2.594 20 30 CFEDMN Cc1ccc(C(C)N=Nc2ccnc(N(C)C)n2)c(O)c1C ZINC000739411882 574212487 /nfs/dbraw/zinc/21/24/87/574212487.db2.gz SCKMSJMGPYXACQ-UHFFFAOYSA-N 0 1 299.378 2.701 20 30 CFEDMN Cc1c2ccccc2oc1C(C)N=Nc1nccn(C)c1=O ZINC000748079389 574227495 /nfs/dbraw/zinc/22/74/95/574227495.db2.gz NOWGQRVOHSBQDY-UHFFFAOYSA-N 0 1 296.330 2.671 20 30 CFEDMN C=CCNC(=O)C(C#N)C(=O)[C@@H]1CC[C@@H]2CCCC[C@H]2C1 ZINC000756515539 574242617 /nfs/dbraw/zinc/24/26/17/574242617.db2.gz MAAAAYFWROGVPR-BYNSBNAKSA-N 0 1 288.391 2.604 20 30 CFEDMN C#CCN1CCC[C@H]1COC(=O)[C@@H](C)c1cccc(C)c1 ZINC000756542387 574244788 /nfs/dbraw/zinc/24/47/88/574244788.db2.gz LSFBEYPCNANXAY-RDJZCZTQSA-N 0 1 285.387 2.739 20 30 CFEDMN C#CCN1CCC[C@@H]1COC(=O)c1cc(C)ccc1C ZINC000756541508 574244878 /nfs/dbraw/zinc/24/48/78/574244878.db2.gz BVGGGZLTHFKLPV-OAHLLOKOSA-N 0 1 271.360 2.558 20 30 CFEDMN C#CCN1CCC[C@H]1COC(=O)c1cccc(C(F)F)c1 ZINC000756542200 574244889 /nfs/dbraw/zinc/24/48/89/574244889.db2.gz GGABIUCKGXYYIX-AWEZNQCLSA-N 0 1 293.313 2.879 20 30 CFEDMN N#Cc1ccc(O)c(NC(=O)c2scnc2Cl)c1 ZINC000748410090 574250902 /nfs/dbraw/zinc/25/09/02/574250902.db2.gz GDUDHAWOLDYDSS-UHFFFAOYSA-N 0 1 279.708 2.626 20 30 CFEDMN CCc1nc(C)c(C(=O)Nc2cc(C#N)ccc2O)s1 ZINC000748410992 574251447 /nfs/dbraw/zinc/25/14/47/574251447.db2.gz RSZZZHOWHVYMQT-UHFFFAOYSA-N 0 1 287.344 2.844 20 30 CFEDMN CN1Cc2ccccc2[C@@H](/N=C\c2cccc(O)c2O)C1 ZINC000756841165 574267649 /nfs/dbraw/zinc/26/76/49/574267649.db2.gz LNHKVMFNRZCBIY-QJVAEYLJSA-N 0 1 282.343 2.703 20 30 CFEDMN Cc1cc(=O)[nH]c(N=NC[C@@H](C)c2ccc(F)cc2)n1 ZINC000756872862 574270038 /nfs/dbraw/zinc/27/00/38/574270038.db2.gz LYNXXHZZDDLFSW-SECBINFHSA-N 0 1 274.299 2.831 20 30 CFEDMN N#Cc1ccc(F)c(COC(=O)c2cccc3[nH]ncc32)c1 ZINC000749063973 574278674 /nfs/dbraw/zinc/27/86/74/574278674.db2.gz BGDJQDXXLTWPET-UHFFFAOYSA-N 0 1 295.273 2.931 20 30 CFEDMN CCn1cc(CN=Nc2cc(F)c(F)cc2F)cn1 ZINC000734301599 574281027 /nfs/dbraw/zinc/28/10/27/574281027.db2.gz HHEHUSQQYQPRSV-UHFFFAOYSA-N 0 1 268.242 2.766 20 30 CFEDMN COc1ccc2c(c1)OCC2=NNc1ccccc1[N+](=O)[O-] ZINC000749158555 574283091 /nfs/dbraw/zinc/28/30/91/574283091.db2.gz QCMFUJVTXUYZCD-UHFFFAOYSA-N 0 1 299.286 2.812 20 30 CFEDMN C=C(C)COC(=O)c1ccc(N2CCN(CC)CC2)cc1 ZINC000741341193 574287650 /nfs/dbraw/zinc/28/76/50/574287650.db2.gz JHOVOQZWTAYKNU-UHFFFAOYSA-N 0 1 288.391 2.561 20 30 CFEDMN C#CCOc1ccc(CN[C@H](CO)c2ccc(F)cc2)cc1 ZINC000734851315 574304516 /nfs/dbraw/zinc/30/45/16/574304516.db2.gz ZAZQYZATMNFZQV-GOSISDBHSA-N 0 1 299.345 2.661 20 30 CFEDMN N#Cc1ccc(C=NN=c2[nH]c3cc(F)c(F)cc3[nH]2)o1 ZINC000743433523 574305630 /nfs/dbraw/zinc/30/56/30/574305630.db2.gz ACCNRJMNJDNKKV-UHFFFAOYSA-N 0 1 287.229 2.752 20 30 CFEDMN NC(=O)c1cccc(C=NNc2nccc3sccc32)c1 ZINC000755651432 574311010 /nfs/dbraw/zinc/31/10/10/574311010.db2.gz SYTZISKFNFVYRI-UHFFFAOYSA-N 0 1 296.355 2.841 20 30 CFEDMN CN(C([O-])=[NH+][C@H]1CCc2nc(C(C)(C)C)cn2C1)C1CC1 ZINC000329290877 574313356 /nfs/dbraw/zinc/31/33/56/574313356.db2.gz AQKDBASZSIQUDD-NSHDSACASA-N 0 1 290.411 2.504 20 30 CFEDMN C=CC1CCN(CN2C(=O)[C@@H]3CCCCC[C@@H]32)CC1 ZINC000749953451 574318263 /nfs/dbraw/zinc/31/82/63/574318263.db2.gz MPTZNJBEYKVJNU-CABCVRRESA-N 0 1 262.397 2.633 20 30 CFEDMN Cc1ccc2ncc(CN=Nc3ccc(F)cn3)n2c1 ZINC000755705246 574322409 /nfs/dbraw/zinc/32/24/09/574322409.db2.gz HCOKSDBPCGLOBV-UHFFFAOYSA-N 0 1 269.283 2.623 20 30 CFEDMN C=CCCCN1CCN(C(=O)OC(C)(C)C)CC1 ZINC000735492721 574327132 /nfs/dbraw/zinc/32/71/32/574327132.db2.gz ULBNIONNJAVYPJ-UHFFFAOYSA-N 0 1 254.374 2.505 20 30 CFEDMN Cc1cccc2nc([C@@H](C#N)C(=O)CCOC(C)C)[nH]c21 ZINC000735791649 574335250 /nfs/dbraw/zinc/33/52/50/574335250.db2.gz ASSFFHNZQRREJV-LBPRGKRZSA-N 0 1 285.347 2.863 20 30 CFEDMN CS[C@H](C)C(=O)[C@H](C#N)c1nc2cccc(C)c2[nH]1 ZINC000735792078 574336121 /nfs/dbraw/zinc/33/61/21/574336121.db2.gz HFBMYPZQMPBZIF-ZJUUUORDSA-N 0 1 273.361 2.799 20 30 CFEDMN CN(Cn1ccc(-c2ccc(C#N)cc2)n1)[C@@H]1CCSC1 ZINC000755792317 574336143 /nfs/dbraw/zinc/33/61/43/574336143.db2.gz XSNHLGNPDKOUPV-OAHLLOKOSA-N 0 1 298.415 2.817 20 30 CFEDMN C=CCCC[N@@H+]1CCN(c2ccc(C(=O)[O-])cc2)C[C@@H]1C ZINC000736102112 574349907 /nfs/dbraw/zinc/34/99/07/574349907.db2.gz ALJSWJIYHPLTBG-AWEZNQCLSA-N 0 1 288.391 2.862 20 30 CFEDMN C=CCC[N@@H+](CC(=O)[O-])Cc1cc(Cl)ccc1O ZINC000736102495 574350316 /nfs/dbraw/zinc/35/03/16/574350316.db2.gz LHRVWVHNSBOVIQ-UHFFFAOYSA-N 0 1 269.728 2.508 20 30 CFEDMN CCC(N=Nc1oc(C(C)C)nc1-c1nn[nH]n1)C1CC1 ZINC000736304270 574361174 /nfs/dbraw/zinc/36/11/74/574361174.db2.gz MRTBNQFQJHRVAY-UHFFFAOYSA-N 0 1 289.343 2.566 20 30 CFEDMN O=[N+]([O-])c1ccc(O)cc1C=NNCc1cccc(F)c1 ZINC000751130973 574369923 /nfs/dbraw/zinc/36/99/23/574369923.db2.gz OLSUTNYTAVWSLF-UHFFFAOYSA-N 0 1 289.266 2.563 20 30 CFEDMN CCC#C[C@H](C)N1CCCN(C(=O)OCC(C)C)CC1 ZINC000752853590 574395774 /nfs/dbraw/zinc/39/57/74/574395774.db2.gz CSWICFSWUYHDPK-HNNXBMFYSA-N 0 1 280.412 2.589 20 30 CFEDMN Cn1ccnc(NN=Cc2cc(Cl)ccc2Cl)c1=O ZINC000753708107 574408418 /nfs/dbraw/zinc/40/84/18/574408418.db2.gz HJPSUEQCIRTLCP-UHFFFAOYSA-N 0 1 297.145 2.533 20 30 CFEDMN CCn1nccc1CN=Nc1cccc(F)c1F ZINC000753710637 574408508 /nfs/dbraw/zinc/40/85/08/574408508.db2.gz YRGRZIJSZMIVEM-UHFFFAOYSA-N 0 1 250.252 2.627 20 30 CFEDMN CC(C)c1cc(C(=O)N(O)Cc2ccc(F)cc2)[nH]n1 ZINC000900096314 620637557 /nfs/dbraw/zinc/63/75/57/620637557.db2.gz ZCJFZBBSSKOQEM-UHFFFAOYSA-N 0 1 277.299 2.704 20 30 CFEDMN CC[N@@H+](C/C=C(\C)C(=O)[O-])[C@H](C)c1ccc(C#N)cc1 ZINC000829692640 601052502 /nfs/dbraw/zinc/05/25/02/601052502.db2.gz MQBGNNUTTFTZCM-CNELAYHGSA-N 0 1 272.348 2.972 20 30 CFEDMN C=CCCC[C@@H](C(=O)Nc1c[nH]nn1)c1ccccc1 ZINC000935594576 649920168 /nfs/dbraw/zinc/92/01/68/649920168.db2.gz KBWYUNAYVAEKOD-CYBMUJFWSA-N 0 1 270.336 2.883 20 30 CFEDMN Cc1ccsc1C[NH2+][C@@H](C(=O)[O-])c1cccc(C#N)c1 ZINC000832984549 601303161 /nfs/dbraw/zinc/30/31/61/601303161.db2.gz VSZLATHHYABRBZ-CQSZACIVSA-N 0 1 286.356 2.844 20 30 CFEDMN CC1(C)CCC[N@H+]([C@@H](C(=O)[O-])c2cccc(C#N)c2)C1 ZINC000828065282 601317152 /nfs/dbraw/zinc/31/71/52/601317152.db2.gz WVWMLUSYNQQIHF-CQSZACIVSA-N 0 1 272.348 2.806 20 30 CFEDMN CC(C)[N@@H+](CC#Cc1ccc(C(F)(F)F)cc1)CC(=O)[O-] ZINC000826935615 601414249 /nfs/dbraw/zinc/41/42/49/601414249.db2.gz HVPVTOXGFOOEQL-UHFFFAOYSA-N 0 1 299.292 2.852 20 30 CFEDMN CC[C@@]1(C)CC[N@H+]([C@@H](C(=O)[O-])c2ccc(C#N)cc2)C1 ZINC000829049708 602239645 /nfs/dbraw/zinc/23/96/45/602239645.db2.gz DPTQMORYVMPLSG-ZBFHGGJFSA-N 0 1 272.348 2.806 20 30 CFEDMN N#Cc1cccc([C@H](C(=O)[O-])[N@H+]2CCC3(CCC3)C2)c1 ZINC000833073957 602240316 /nfs/dbraw/zinc/24/03/16/602240316.db2.gz LAFQWFJGQFOICY-CQSZACIVSA-N 0 1 270.332 2.560 20 30 CFEDMN N#Cc1csc(C[N@@H+]2Cc3ccccc3C[C@H]2C(=O)[O-])c1 ZINC000833078436 604467619 /nfs/dbraw/zinc/46/76/19/604467619.db2.gz KIHFQVXKYPMGTQ-HNNXBMFYSA-N 0 1 298.367 2.631 20 30 CFEDMN CC(C)[C@H](C)[N@@H+](C)Cc1cccc(C(=O)[O-])c1C#N ZINC000833469369 604601492 /nfs/dbraw/zinc/60/14/92/604601492.db2.gz VZEQXAJNFGTHRE-NSHDSACASA-N 0 1 260.337 2.733 20 30 CFEDMN CC(C)[N@@H+](Cc1cccc(C(=O)[O-])c1C#N)C1CC1 ZINC000833497444 604604427 /nfs/dbraw/zinc/60/44/27/604604427.db2.gz BJIAVQNVEQMURI-UHFFFAOYSA-N 0 1 258.321 2.629 20 30 CFEDMN CC1(C)CCC[N@@H+](Cc2cccc(C(=O)[O-])c2C#N)C1 ZINC000833560254 604609357 /nfs/dbraw/zinc/60/93/57/604609357.db2.gz JSJUEBHCDBJTIU-UHFFFAOYSA-N 0 1 272.348 2.878 20 30 CFEDMN C=CCOc1ccc(C[N@H+](CCC(=O)[O-])C(C)C)cc1 ZINC000833377590 604641097 /nfs/dbraw/zinc/64/10/97/604641097.db2.gz DDOBNFGRDWRTTP-UHFFFAOYSA-N 0 1 277.364 2.937 20 30 CFEDMN CC(C)(C#N)c1ccccc1C[N@H+]1CCCC[C@H]1C(=O)[O-] ZINC000819901863 604669710 /nfs/dbraw/zinc/66/97/10/604669710.db2.gz ZQWGLOFBOFNBBI-HNNXBMFYSA-N 0 1 286.375 2.927 20 30 CFEDMN CC(C)(C#N)c1ccccc1C[N@H+]1CCC[C@H]1C(=O)[O-] ZINC000817792080 604672045 /nfs/dbraw/zinc/67/20/45/604672045.db2.gz ZLDVLERISKSIKS-AWEZNQCLSA-N 0 1 272.348 2.537 20 30 CFEDMN CC(C)(C(=O)[O-])[C@H]1CCC[N@@H+](Cc2cccc(C#N)c2)C1 ZINC000135038754 604941506 /nfs/dbraw/zinc/94/15/06/604941506.db2.gz XPNZGYDMRHGJSD-HNNXBMFYSA-N 0 1 286.375 2.881 20 30 CFEDMN CCCCCCCC(=O)N1CCN(CCC)CC1 ZINC000935818940 649951867 /nfs/dbraw/zinc/95/18/67/649951867.db2.gz QINIJFCBOGYCQV-UHFFFAOYSA-N 0 1 254.418 2.901 20 30 CFEDMN C=CCCCCC[N@H+](C)Cc1ccc(C(=O)[O-])[nH]1 ZINC000833373844 605107882 /nfs/dbraw/zinc/10/78/82/605107882.db2.gz FODCKUVFIODUAQ-UHFFFAOYSA-N 0 1 250.342 2.891 20 30 CFEDMN CC(C)C[N@@H+](CCC#N)CCOc1ccccc1C(=O)[O-] ZINC000043416897 605209993 /nfs/dbraw/zinc/20/99/93/605209993.db2.gz PVLLSWOLJBKLGQ-UHFFFAOYSA-N 0 1 290.363 2.635 20 30 CFEDMN CC(C)C[N@H+](CCC#N)CCOc1ccccc1C(=O)[O-] ZINC000043416897 605209996 /nfs/dbraw/zinc/20/99/96/605209996.db2.gz PVLLSWOLJBKLGQ-UHFFFAOYSA-N 0 1 290.363 2.635 20 30 CFEDMN CC(C)(C(=O)[O-])[C@@H]1CCC[N@@H+](Cc2ccc(C#N)s2)C1 ZINC000833419970 605553362 /nfs/dbraw/zinc/55/33/62/605553362.db2.gz LPBUHWYIDBKWCE-LLVKDONJSA-N 0 1 292.404 2.943 20 30 CFEDMN C#Cc1cccc(N(CC)C(=O)[C@@H]2CC[N@H+]2C(C)(C)C)c1 ZINC000900561510 620688280 /nfs/dbraw/zinc/68/82/80/620688280.db2.gz IECXCMPJSXJUEB-INIZCTEOSA-N 0 1 284.403 2.894 20 30 CFEDMN C#Cc1cccc(N(CC)C(=O)[C@@H]2CCN2C(C)(C)C)c1 ZINC000900561510 620688285 /nfs/dbraw/zinc/68/82/85/620688285.db2.gz IECXCMPJSXJUEB-INIZCTEOSA-N 0 1 284.403 2.894 20 30 CFEDMN C=CCN1CCC[C@@H](NC(=O)C2CC(C(C)(C)C)C2)C1 ZINC001009703567 651164375 /nfs/dbraw/zinc/16/43/75/651164375.db2.gz RHIKMTHAEYMIRF-YMAMQOFZSA-N 0 1 278.440 2.825 20 30 CFEDMN CCC[C@@H](C)CN=Nc1oc(C(C)C)nc1-c1nn[nH]n1 ZINC000825232385 607886675 /nfs/dbraw/zinc/88/66/75/607886675.db2.gz GPOOJEXNIRASRR-SECBINFHSA-N 0 1 291.359 2.812 20 30 CFEDMN C#CCCC[NH2+]Cc1cc(Br)ccc1[O-] ZINC000174612739 623433838 /nfs/dbraw/zinc/43/38/38/623433838.db2.gz FUEWHXLYYBGFTG-UHFFFAOYSA-N 0 1 268.154 2.658 20 30 CFEDMN C#CCCN1C[C@H](NC(=O)c2cc(C)cs2)C(C)(C)C1 ZINC000974555659 613038621 /nfs/dbraw/zinc/03/86/21/613038621.db2.gz BTVBEJLDEBPCGU-AWEZNQCLSA-N 0 1 290.432 2.520 20 30 CFEDMN C#CCN(C)[C@@H]1CCN(C(=O)c2ccc([C@@H](C)CC)cc2)C1 ZINC000980493992 613086012 /nfs/dbraw/zinc/08/60/12/613086012.db2.gz KTFWZPOPUNVVFH-MAUKXSAKSA-N 0 1 298.430 2.980 20 30 CFEDMN C#CCN(C)[C@@H]1CCN(C(=O)c2ccc(C3CCC3)cc2)C1 ZINC000971641861 613086172 /nfs/dbraw/zinc/08/61/72/613086172.db2.gz ORUCHNBMSRAYRO-GOSISDBHSA-N 0 1 296.414 2.734 20 30 CFEDMN C#CCN(C)[C@@H]1CCN(C(=O)c2ccc3sccc3c2)C1 ZINC000972652066 613086635 /nfs/dbraw/zinc/08/66/35/613086635.db2.gz XYSIBXWMJVPJOR-OAHLLOKOSA-N 0 1 298.411 2.681 20 30 CFEDMN C#CCN(C)[C@H]1CCN(C(=O)c2ccc(CCCC)cc2)C1 ZINC000971896500 613095025 /nfs/dbraw/zinc/09/50/25/613095025.db2.gz RTTPZFPKSYHAKO-SFHVURJKSA-N 0 1 298.430 2.809 20 30 CFEDMN C#CCN(C)[C@H]1CCN(C(=O)c2csc3ccccc32)C1 ZINC000972033603 613096591 /nfs/dbraw/zinc/09/65/91/613096591.db2.gz UYNULLQAHIUTPJ-ZDUSSCGKSA-N 0 1 298.411 2.681 20 30 CFEDMN C#CCN1CCCC2(CN(C(=O)CCC3CCCC3)C2)C1 ZINC000981595661 613140791 /nfs/dbraw/zinc/14/07/91/613140791.db2.gz RKNPZAUIHOVMAE-UHFFFAOYSA-N 0 1 288.435 2.514 20 30 CFEDMN C#CCN1CCCCC[C@@H]1CNC(=O)[C@H]1CC12CCCC2 ZINC000969103141 613145890 /nfs/dbraw/zinc/14/58/90/613145890.db2.gz BMQZOVUIEMLLMA-HZPDHXFCSA-N 0 1 288.435 2.561 20 30 CFEDMN C#CCN1CCCCC[C@@H]1CNC(=O)c1ccc(C)s1 ZINC000968729678 613147045 /nfs/dbraw/zinc/14/70/45/613147045.db2.gz MSVTYGCQDFAQAY-CQSZACIVSA-N 0 1 290.432 2.664 20 30 CFEDMN C#CCN1CCCCC[C@@H]1CNC(=O)c1cscc1C ZINC000968804446 613147767 /nfs/dbraw/zinc/14/77/67/613147767.db2.gz URAFCUCOOWJXPB-CQSZACIVSA-N 0 1 290.432 2.664 20 30 CFEDMN C#CCN1CCCCC[C@H]1CNC(=O)[C@@H]1CCC(C)(C)C1 ZINC000969018116 613148193 /nfs/dbraw/zinc/14/81/93/613148193.db2.gz WOVGGQHUAWJAMS-CVEARBPZSA-N 0 1 290.451 2.807 20 30 CFEDMN C#CCN1CC[C@@H](NC(=O)[C@@H]2C[C@H]2CC(C)C)C(C)(C)C1 ZINC000941046963 613229751 /nfs/dbraw/zinc/22/97/51/613229751.db2.gz QWOUEOOKWYKCEH-BZUAXINKSA-N 0 1 290.451 2.519 20 30 CFEDMN C#CCN1CC[C@@H](NC(=O)[C@H](C)C2CCCC2)C(C)(C)C1 ZINC000941158663 613229800 /nfs/dbraw/zinc/22/98/00/613229800.db2.gz SBZCTHXBHCONLB-GDBMZVCRSA-N 0 1 290.451 2.663 20 30 CFEDMN C#CCN1CC[C@@H](NC(=O)[C@@]2(C)CC=CCC2)C(C)(C)C1 ZINC000940763515 613229931 /nfs/dbraw/zinc/22/99/31/613229931.db2.gz GKSPAYKCPICOEM-QAPCUYQASA-N 0 1 288.435 2.583 20 30 CFEDMN C#CCN1CC[C@@H](NC(=O)c2cc(C)cs2)C(C)(C)C1 ZINC000940730779 613231922 /nfs/dbraw/zinc/23/19/22/613231922.db2.gz JSIWJYDMECDQMV-CQSZACIVSA-N 0 1 290.432 2.520 20 30 CFEDMN C=C(C)CCN1CC(N(CC)C(=O)[C@@H]2CCC2(F)F)C1 ZINC000950595584 613244954 /nfs/dbraw/zinc/24/49/54/613244954.db2.gz MSACNKUQHVHNIG-ZDUSSCGKSA-N 0 1 286.366 2.531 20 30 CFEDMN C=C(C)CCN1CC(N(CC)C(=O)[C@@H]2CC[C@@H](C)C2)C1 ZINC000952393622 613245101 /nfs/dbraw/zinc/24/51/01/613245101.db2.gz CYYHQJHMDFRKBQ-HUUCEWRRSA-N 0 1 278.440 2.922 20 30 CFEDMN C=C(C)CCN1CC(N(CC)C(=O)C2CC3(CC3)C2)C1 ZINC000951726601 613245262 /nfs/dbraw/zinc/24/52/62/613245262.db2.gz YWYKWWGEEOJRTB-UHFFFAOYSA-N 0 1 276.424 2.676 20 30 CFEDMN C=C(C)CCN1CC(N(CC)C(=O)[C@H]2CC2(C)C)C1 ZINC000949912819 613245519 /nfs/dbraw/zinc/24/55/19/613245519.db2.gz JAHCOQSNSWNPBO-CQSZACIVSA-N 0 1 264.413 2.531 20 30 CFEDMN C=C(C)CCN1CC(N(CC)C(=O)[C@H]2CC23CCC3)C1 ZINC000952375204 613245790 /nfs/dbraw/zinc/24/57/90/613245790.db2.gz KIVAWFCBJWTHGU-OAHLLOKOSA-N 0 1 276.424 2.676 20 30 CFEDMN C#CCN1CC[C@H](C)[C@@H](NC(=O)CC2CCCCCC2)C1 ZINC000968366150 613246755 /nfs/dbraw/zinc/24/67/55/613246755.db2.gz SNRCRWYMYKBQKN-RDJZCZTQSA-N 0 1 290.451 2.807 20 30 CFEDMN C#CCN1CC[C@H](C)[C@H](NC(=O)CC2CCCCCC2)C1 ZINC000968366148 613251525 /nfs/dbraw/zinc/25/15/25/613251525.db2.gz SNRCRWYMYKBQKN-DOTOQJQBSA-N 0 1 290.451 2.807 20 30 CFEDMN C=C(C)CCN1CCN(C(=O)C[C@@H]2CC=CCC2)CC1 ZINC000949692886 613257921 /nfs/dbraw/zinc/25/79/21/613257921.db2.gz IBNPUQITGCRSKB-MRXNPFEDSA-N 0 1 276.424 2.843 20 30 CFEDMN C#CCN1CC[C@H](NC(=O)C2CCC=CCC2)C(C)(C)C1 ZINC000941226389 613257967 /nfs/dbraw/zinc/25/79/67/613257967.db2.gz ODCPZSPCVCOWTQ-INIZCTEOSA-N 0 1 288.435 2.583 20 30 CFEDMN C=C(C)CCN1CCN(C(=O)CCc2ccsc2)CC1 ZINC000948764899 613258086 /nfs/dbraw/zinc/25/80/86/613258086.db2.gz NHUAPBKLHKURBB-UHFFFAOYSA-N 0 1 292.448 2.791 20 30 CFEDMN C=C(C)CCN1CCN(C(=O)[C@@H]2CCC[C@@H](C)C2)CC1 ZINC000949929326 613259202 /nfs/dbraw/zinc/25/92/02/613259202.db2.gz AFZGCCJHZOYOED-HZPDHXFCSA-N 0 1 278.440 2.923 20 30 CFEDMN C=C(C)CCN1CCN(C(=O)[C@H](C)c2ccsc2)CC1 ZINC000950446585 613259761 /nfs/dbraw/zinc/25/97/61/613259761.db2.gz ABAKPVIHMJJKOO-CQSZACIVSA-N 0 1 292.448 2.962 20 30 CFEDMN C=C(C)CCN1CCN(C(=O)[C@]23C[C@H]2CCCC3)CC1 ZINC000950377505 613259798 /nfs/dbraw/zinc/25/97/98/613259798.db2.gz DYOILUPFCCWADX-NVXWUHKLSA-N 0 1 276.424 2.677 20 30 CFEDMN C=C(C)CCN1CCN(C(=O)[C@H]2CCC[C@H](C)C2)CC1 ZINC000949929322 613260373 /nfs/dbraw/zinc/26/03/73/613260373.db2.gz AFZGCCJHZOYOED-HOTGVXAUSA-N 0 1 278.440 2.923 20 30 CFEDMN C=C(C)CCN1CCN(C(=O)[C@H]2CCC(C)(C)C2)CC1 ZINC000950360210 613260475 /nfs/dbraw/zinc/26/04/75/613260475.db2.gz NEQOOOAORTXEAG-HNNXBMFYSA-N 0 1 278.440 2.923 20 30 CFEDMN C=C(C)CCN1CCN(C(=O)[C@H]2CC[C@@H](C)C2)CC1 ZINC000951176105 613260582 /nfs/dbraw/zinc/26/05/82/613260582.db2.gz DNORDAWJRSGYJE-CABCVRRESA-N 0 1 264.413 2.533 20 30 CFEDMN C=C(C)CCN1CCN(C(=O)c2cccnc2C2CC2)CC1 ZINC000949099452 613261735 /nfs/dbraw/zinc/26/17/35/613261735.db2.gz VCNOFIZVTTXQEM-UHFFFAOYSA-N 0 1 299.418 2.683 20 30 CFEDMN C=C(C)CCN1CCN(C(=O)c2ccc3c(c2)CCC3)CC1 ZINC000957607979 613262100 /nfs/dbraw/zinc/26/21/00/613262100.db2.gz XVSODQAAGGGRQB-UHFFFAOYSA-N 0 1 298.430 2.899 20 30 CFEDMN C#CCN1CC[C@H](NC(=O)[C@@H](C)C2CCCC2)C(C)(C)C1 ZINC000941158665 613262719 /nfs/dbraw/zinc/26/27/19/613262719.db2.gz SBZCTHXBHCONLB-HOCLYGCPSA-N 0 1 290.451 2.663 20 30 CFEDMN C#CCN1CC[C@H](NC(=O)c2cscc2Cl)C[C@H]1C ZINC000947427254 613277627 /nfs/dbraw/zinc/27/76/27/613277627.db2.gz YXZDQWATSSCAKH-MNOVXSKESA-N 0 1 296.823 2.617 20 30 CFEDMN C#CCN1C[C@@H](NC(=O)[C@H]2CCCC(C)(C)C2)C(C)(C)C1 ZINC000977655015 613282151 /nfs/dbraw/zinc/28/21/51/613282151.db2.gz USUKUGJCTPYDNJ-LSDHHAIUSA-N 0 1 290.451 2.663 20 30 CFEDMN C=C(C)CN1CC([C@H](C)NC(=O)c2c(F)cccc2F)C1 ZINC000970796505 613302698 /nfs/dbraw/zinc/30/26/98/613302698.db2.gz SEZZLJMRQDFFKI-NSHDSACASA-N 0 1 294.345 2.591 20 30 CFEDMN C=C(C)CN1CCCN(C(=O)C2(C(C)C)CC2)CC1 ZINC000981914901 613307595 /nfs/dbraw/zinc/30/75/95/613307595.db2.gz BVVZNZLEERKNEG-UHFFFAOYSA-N 0 1 264.413 2.533 20 30 CFEDMN C=C(C)CN1CCCN(C(=O)[C@]23C[C@H]2CCCC3)CC1 ZINC000981915595 613310156 /nfs/dbraw/zinc/31/01/56/613310156.db2.gz KYICLAFUHMVZOJ-NVXWUHKLSA-N 0 1 276.424 2.677 20 30 CFEDMN C=C(C)CN1CCCN(C(=O)[C@@]2(C)CCC[C@H]2C)CC1 ZINC000981896167 613310290 /nfs/dbraw/zinc/31/02/90/613310290.db2.gz GTUZRFYOEYTRGA-WBVHZDCISA-N 0 1 278.440 2.923 20 30 CFEDMN C=C(C)CN1CCCN(C(=O)c2cc(C(C)C)on2)CC1 ZINC000981708144 613312044 /nfs/dbraw/zinc/31/20/44/613312044.db2.gz JLKHFHSEXKBUAV-UHFFFAOYSA-N 0 1 291.395 2.522 20 30 CFEDMN C=C(C)CN1CCCN(C(=O)c2ccc(CC)o2)CC1 ZINC000981469127 613312123 /nfs/dbraw/zinc/31/21/23/613312123.db2.gz HOQMRKXQKNPGSO-UHFFFAOYSA-N 0 1 276.380 2.566 20 30 CFEDMN C=C(C)CN1CCCN(C(=O)c2cccc3cc[nH]c32)CC1 ZINC000982011726 613312566 /nfs/dbraw/zinc/31/25/66/613312566.db2.gz IAABNINFLOCBFF-UHFFFAOYSA-N 0 1 297.402 2.892 20 30 CFEDMN C=C(C)CN1CC[C@@H](C)[C@H](NC(=O)c2ccc(C)o2)C1 ZINC000964908124 613325838 /nfs/dbraw/zinc/32/58/38/613325838.db2.gz UJZDBKZOQTYBCP-TZMCWYRMSA-N 0 1 276.380 2.604 20 30 CFEDMN C=C(C)CN1CC[C@H](C)[C@@H](NC(=O)c2ccsc2)C1 ZINC000964934810 613333189 /nfs/dbraw/zinc/33/31/89/613333189.db2.gz LALMSYCAXJXHJF-JSGCOSHPSA-N 0 1 278.421 2.764 20 30 CFEDMN C=C(C)CN1C[C@H](NC(=O)c2ccoc2CC)C(C)(C)C1 ZINC000974532764 613342311 /nfs/dbraw/zinc/34/23/11/613342311.db2.gz PWQZPLGAZGHFLX-HNNXBMFYSA-N 0 1 290.407 2.858 20 30 CFEDMN C=C(Cl)CN[C@@H]1CCN(C(=O)[C@@H]2C[C@H]2CC(C)C)C1 ZINC000970016530 613385188 /nfs/dbraw/zinc/38/51/88/613385188.db2.gz AROGZPVNYLBDMB-MGPQQGTHSA-N 0 1 284.831 2.612 20 30 CFEDMN C=C(Cl)CN[C@@H]1CCN(C(=O)[C@H](F)c2ccccc2)C1 ZINC000970108107 613385314 /nfs/dbraw/zinc/38/53/14/613385314.db2.gz WFQWWZMAECHHIQ-ZIAGYGMSSA-N 0 1 296.773 2.640 20 30 CFEDMN C=C(Cl)CN[C@@H]1CCN(C(=O)c2cc(C)cc(C)c2)C1 ZINC000970572563 613385598 /nfs/dbraw/zinc/38/55/98/613385598.db2.gz JECVFKPLGNMHRF-OAHLLOKOSA-N 0 1 292.810 2.860 20 30 CFEDMN C=C(Cl)CN[C@@H]1CCN(C(=O)c2cccc(Cl)c2)C1 ZINC000970556727 613385833 /nfs/dbraw/zinc/38/58/33/613385833.db2.gz ZLSIALOUBNAFPA-CYBMUJFWSA-N 0 1 299.201 2.897 20 30 CFEDMN C=C1CCC(C(=O)N[C@@H]2CCN(CCF)CC2(C)C)CC1 ZINC000941002851 613410205 /nfs/dbraw/zinc/41/02/05/613410205.db2.gz NZUAJNGAUAEFTP-OAHLLOKOSA-N 0 1 296.430 2.919 20 30 CFEDMN C=C1CCC(C(=O)N[C@@H]2CCN(CCF)[C@H](C)C2)CC1 ZINC000947689554 613410840 /nfs/dbraw/zinc/41/08/40/613410840.db2.gz LCIJLYGIMVUPPG-UKRRQHHQSA-N 0 1 282.403 2.671 20 30 CFEDMN C=CC(C)(C)C(=O)N1CCCN(CC=C(C)C)CC1 ZINC000981746568 613431021 /nfs/dbraw/zinc/43/10/21/613431021.db2.gz HXFCWIRGISAFOR-UHFFFAOYSA-N 0 1 264.413 2.699 20 30 CFEDMN C=CCCN1CCN(C(=O)C2(C)CCC(C)CC2)CC1 ZINC000957842882 613502313 /nfs/dbraw/zinc/50/23/13/613502313.db2.gz RYZPVCWCWWXORJ-UHFFFAOYSA-N 0 1 278.440 2.923 20 30 CFEDMN C=CCCN1CCN(C(=O)C23CCC(CC2)C3(C)C)CC1 ZINC000951559809 613502410 /nfs/dbraw/zinc/50/24/10/613502410.db2.gz OKWMNCMREVOBSG-UHFFFAOYSA-N 0 1 290.451 2.923 20 30 CFEDMN C=CCCN1CCN(C(=O)Cc2coc3ccccc23)CC1 ZINC000952406754 613504472 /nfs/dbraw/zinc/50/44/72/613504472.db2.gz HDOZOVWYIAKWCD-UHFFFAOYSA-N 0 1 298.386 2.696 20 30 CFEDMN C=CCCN1CCN(C(=O)C[C@H]2CCc3ccccc32)CC1 ZINC000952343556 613504734 /nfs/dbraw/zinc/50/47/34/613504734.db2.gz BEMAMLIBMOJUQV-QGZVFWFLSA-N 0 1 298.430 2.827 20 30 CFEDMN C=CCCN1CCN(C(=O)[C@H](C)c2cccc(C)c2)CC1 ZINC000950908999 613507928 /nfs/dbraw/zinc/50/79/28/613507928.db2.gz XWZRJXAUNBZDME-MRXNPFEDSA-N 0 1 286.419 2.819 20 30 CFEDMN C=CCCN1CCN(C(=O)[C@H]2CCC[C@@H](C)C2)CC1 ZINC000949934941 613508553 /nfs/dbraw/zinc/50/85/53/613508553.db2.gz BMEYLUDIXZIXGP-CABCVRRESA-N 0 1 264.413 2.533 20 30 CFEDMN C=CCCN1CCN(C(=O)[C@]2(C)CC=C(C)CC2)CC1 ZINC000957741728 613509052 /nfs/dbraw/zinc/50/90/52/613509052.db2.gz YTLPNXDWJVHVTI-QGZVFWFLSA-N 0 1 276.424 2.843 20 30 CFEDMN C=Cc1ccc(C(=O)N[C@H]2CN(CC#CC)CC[C@H]2C)cc1 ZINC000968346033 613515653 /nfs/dbraw/zinc/51/56/53/613515653.db2.gz RECIVDBZLGBZGS-QAPCUYQASA-N 0 1 296.414 2.793 20 30 CFEDMN CC#CCN1CC([C@@H](C)NC(=O)C2CC(C(C)(C)C)C2)C1 ZINC000970957280 613529889 /nfs/dbraw/zinc/52/98/89/613529889.db2.gz ILBYQZHFCYCWIS-VQCLRJIVSA-N 0 1 290.451 2.519 20 30 CFEDMN CC#CCN1CC([C@@H](C)NC(=O)c2ccc(CCC)cc2)C1 ZINC000970351799 613533428 /nfs/dbraw/zinc/53/34/28/613533428.db2.gz PGKMHXGBPDLEBL-OAHLLOKOSA-N 0 1 298.430 2.713 20 30 CFEDMN CC#CCN1CC([C@H](C)NC(=O)c2ccc(CCC)cc2)C1 ZINC000970351798 613538134 /nfs/dbraw/zinc/53/81/34/613538134.db2.gz PGKMHXGBPDLEBL-HNNXBMFYSA-N 0 1 298.430 2.713 20 30 CFEDMN CC#CCN1CC[C@@H](C)[C@@H](NC(=O)CC2=CCCCC2)C1 ZINC000965621944 613571969 /nfs/dbraw/zinc/57/19/69/613571969.db2.gz IEUYHAZULQOGEP-WBVHZDCISA-N 0 1 288.435 2.727 20 30 CFEDMN CC#CCN1CC[C@@H](C)[C@@H](NC(=O)c2ccc(C)c(C)c2)C1 ZINC000968607686 613572730 /nfs/dbraw/zinc/57/27/30/613572730.db2.gz ZCMGZDAYODUZTR-QAPCUYQASA-N 0 1 298.430 2.767 20 30 CFEDMN CC#CCN1CC[C@@H](C)[C@@H](NC(=O)[C@H]2CC[C@H](C)CC2)C1 ZINC000968566619 613572797 /nfs/dbraw/zinc/57/27/97/613572797.db2.gz VJNOYJBNYRIZSY-VQHPVUNQSA-N 0 1 290.451 2.663 20 30 CFEDMN CC#CCN1C[C@@H](NC(=O)[C@@H]2C[C@H]2CC(C)C)C(C)(C)C1 ZINC000975056962 613609149 /nfs/dbraw/zinc/60/91/49/613609149.db2.gz ODLUBZYLVMLRFX-BZUAXINKSA-N 0 1 290.451 2.519 20 30 CFEDMN CC#CCN1C[C@@H](NC(=O)c2c(C)cccc2C)C(C)(C)C1 ZINC000975106118 613609841 /nfs/dbraw/zinc/60/98/41/613609841.db2.gz MIZCFUNGYHLPIA-MRXNPFEDSA-N 0 1 298.430 2.767 20 30 CFEDMN CC#CCN1C[C@@H](NC(=O)[C@H](C)C2CCCC2)C(C)(C)C1 ZINC000977445697 613610034 /nfs/dbraw/zinc/61/00/34/613610034.db2.gz BFFASHKTZUJKGW-GDBMZVCRSA-N 0 1 290.451 2.663 20 30 CFEDMN C=CCN1CC([C@@H](C)NC(=O)[C@@H]2CCCCC2(C)C)C1 ZINC000970939872 613662003 /nfs/dbraw/zinc/66/20/03/613662003.db2.gz ZCRCISWFXGYIDM-HIFRSBDPSA-N 0 1 278.440 2.825 20 30 CFEDMN C=CCN1CC([C@@H](C)NC(=O)c2c(C)[nH]c3ccccc32)C1 ZINC000970103215 613663539 /nfs/dbraw/zinc/66/35/39/613663539.db2.gz AQRMJDUAEPJKRI-GFCCVEGCSA-N 0 1 297.402 2.712 20 30 CFEDMN C=CCN1CC([C@@H](C)NC(=O)c2ccc(F)cc2Cl)C1 ZINC000970835958 613665282 /nfs/dbraw/zinc/66/52/82/613665282.db2.gz LUUNODHJKCKGBV-SNVBAGLBSA-N 0 1 296.773 2.715 20 30 CFEDMN C=CCN1CC([C@@H](C)NC(=O)c2csc(C)c2C)C1 ZINC000969745785 613667526 /nfs/dbraw/zinc/66/75/26/613667526.db2.gz ZCGVWZQSKVSOEZ-LLVKDONJSA-N 0 1 278.421 2.601 20 30 CFEDMN C=CCN1CC([C@@H](C)NC(=O)c2coc3c2cccc3C)C1 ZINC000969848025 613667536 /nfs/dbraw/zinc/66/75/36/613667536.db2.gz PSVXJJVVEZNIGY-CYBMUJFWSA-N 0 1 298.386 2.977 20 30 CFEDMN C=CCN1CC([C@@H](C)NC(=O)c2coc3ccccc23)C1 ZINC000970970650 613667728 /nfs/dbraw/zinc/66/77/28/613667728.db2.gz BOAYKVCURZNAPT-GFCCVEGCSA-N 0 1 284.359 2.669 20 30 CFEDMN C=CCN1CC([C@H](C)NC(=O)[C@H]2CCCC3(CC3)C2)C1 ZINC000969664288 613669573 /nfs/dbraw/zinc/66/95/73/613669573.db2.gz PDBDVCYCCUZNMO-KBPBESRZSA-N 0 1 276.424 2.579 20 30 CFEDMN C=CCN1CC([C@H](C)NC(=O)c2ccc(C)c(F)c2F)C1 ZINC000970462463 613671525 /nfs/dbraw/zinc/67/15/25/613671525.db2.gz SRBSWLOQOVSQNC-NSHDSACASA-N 0 1 294.345 2.509 20 30 CFEDMN C=CCN1CC([C@H](C)NC(=O)c2oc3ccccc3c2C)C1 ZINC000970845327 613674502 /nfs/dbraw/zinc/67/45/02/613674502.db2.gz HHENXFRUTJSZIM-ZDUSSCGKSA-N 0 1 298.386 2.977 20 30 CFEDMN C=CCN1CCCN(C(=O)C2(c3ccccc3)CCC2)CC1 ZINC000981582446 613688292 /nfs/dbraw/zinc/68/82/92/613688292.db2.gz HTNYVCHVIXGNKQ-UHFFFAOYSA-N 0 1 298.430 2.829 20 30 CFEDMN C=CCN1CCCN(C(=O)C[C@H]2CCC[C@H]2C)CC1 ZINC000981225565 613690056 /nfs/dbraw/zinc/69/00/56/613690056.db2.gz PFXJDKRRXWJYIC-HUUCEWRRSA-N 0 1 264.413 2.533 20 30 CFEDMN C=CCN1CCCN(C(=O)Cc2cccc(C3CC3)c2)CC1 ZINC000981678664 613690126 /nfs/dbraw/zinc/69/01/26/613690126.db2.gz HBBWWXKNXBQFCY-UHFFFAOYSA-N 0 1 298.430 2.827 20 30 CFEDMN C=CCN1CCCN(C(=O)C[C@@H]2CCc3ccccc32)CC1 ZINC000982284863 613690249 /nfs/dbraw/zinc/69/02/49/613690249.db2.gz HKGQRVGFXGUEHA-KRWDZBQOSA-N 0 1 298.430 2.827 20 30 CFEDMN C=CCN1CCCN(C(=O)[C@H]2CCC=CCCC2)CC1 ZINC000981431634 613693468 /nfs/dbraw/zinc/69/34/68/613693468.db2.gz RKAGJNUDCBALGA-INIZCTEOSA-N 0 1 276.424 2.843 20 30 CFEDMN C=CCN1CCCN(C(=O)[C@H](C)c2cccc(C)c2)CC1 ZINC000982046796 613693829 /nfs/dbraw/zinc/69/38/29/613693829.db2.gz HIPAMSZEEXCNRT-MRXNPFEDSA-N 0 1 286.419 2.819 20 30 CFEDMN C=CCN1CCCN(C(=O)c2ccc(C3CC3)nc2C)CC1 ZINC000981981307 613697450 /nfs/dbraw/zinc/69/74/50/613697450.db2.gz BFBHCYCFHXMAAH-UHFFFAOYSA-N 0 1 299.418 2.601 20 30 CFEDMN C=CCN1CC[C@@H](C)[C@@H](NC(=O)C2=CCCCCC2)C1 ZINC000965946715 613727206 /nfs/dbraw/zinc/72/72/06/613727206.db2.gz QXRDSQFGSRBQOJ-ZBFHGGJFSA-N 0 1 276.424 2.890 20 30 CFEDMN C=CCN1CC[C@@H](C)[C@@H](NC(=O)C2(C)CCCCC2)C1 ZINC000968211745 613727587 /nfs/dbraw/zinc/72/75/87/613727587.db2.gz LHRBJDNQWUQLRC-CABCVRRESA-N 0 1 278.440 2.969 20 30 CFEDMN C=CCN1CC[C@@H](C)[C@@H](NC(=O)c2cc(C)c(C)s2)C1 ZINC000968627025 613729252 /nfs/dbraw/zinc/72/92/52/613729252.db2.gz GHXDNIJFEFTXFM-RISCZKNCSA-N 0 1 292.448 2.991 20 30 CFEDMN C=CCN1CC[C@@H](C)[C@@H](NC(=O)c2ccoc2Cl)C1 ZINC000965929607 613730276 /nfs/dbraw/zinc/73/02/76/613730276.db2.gz BDUMBNNWMVFTKV-PWSUYJOCSA-N 0 1 282.771 2.559 20 30 CFEDMN C=CCN1CC[C@@H](C)[C@H](NC(=O)C23CCC(CC2)C3)C1 ZINC000966947414 613732300 /nfs/dbraw/zinc/73/23/00/613732300.db2.gz YUWDVOOZVKVIOB-HCEZTOJASA-N 0 1 276.424 2.579 20 30 CFEDMN C=CCN1CC[C@H](C)[C@@H](NC(=O)C23CCC(CC2)CC3)C1 ZINC000968678940 613766986 /nfs/dbraw/zinc/76/69/86/613766986.db2.gz WEHSJACNKAFLNJ-VUGNNNGISA-N 0 1 290.451 2.969 20 30 CFEDMN C=CCN1CC[C@H](C)[C@@H](NC(=O)Cc2ccsc2C)C1 ZINC000968390143 613767224 /nfs/dbraw/zinc/76/72/24/613767224.db2.gz GFVHZGWDVKLWKG-WFASDCNBSA-N 0 1 292.448 2.612 20 30 CFEDMN C=CCN1CC[C@H](C)[C@@H](NC(=O)C2CCCCCC2)C1 ZINC000965562731 613767370 /nfs/dbraw/zinc/76/73/70/613767370.db2.gz UVGUCYDLGXUVKY-HOCLYGCPSA-N 0 1 278.440 2.969 20 30 CFEDMN C=CCN1CC[C@H](C)[C@@H](NC(=O)c2cccc(C)c2F)C1 ZINC000966269769 613769715 /nfs/dbraw/zinc/76/97/15/613769715.db2.gz WIAGEAUUQOSLFO-WFASDCNBSA-N 0 1 290.382 2.760 20 30 CFEDMN C=CCN1CC[C@H](C)[C@@H](NC(=O)c2ccn3ccccc23)C1 ZINC000967314665 613769835 /nfs/dbraw/zinc/76/98/35/613769835.db2.gz PAPBOTXZIFZRJS-HOCLYGCPSA-N 0 1 297.402 2.566 20 30 CFEDMN C=CCN1CC[C@H](C)[C@H](NC(=O)CC2CCCC2)C1 ZINC000964772158 613771785 /nfs/dbraw/zinc/77/17/85/613771785.db2.gz MAGOAQBTHQTJJS-DZGCQCFKSA-N 0 1 264.413 2.579 20 30 CFEDMN C=CCN1CC[C@H](C)[C@H](NC(=O)C23CCC(CC2)CC3)C1 ZINC000968678938 613771933 /nfs/dbraw/zinc/77/19/33/613771933.db2.gz WEHSJACNKAFLNJ-UERKLNTKSA-N 0 1 290.451 2.969 20 30 CFEDMN C=CCN1CC[C@H](C)[C@H](NC(=O)c2c[nH]c3ccccc23)C1 ZINC000967275125 613772250 /nfs/dbraw/zinc/77/22/50/613772250.db2.gz UPOHHXMZLYJKAP-SUMWQHHRSA-N 0 1 297.402 2.794 20 30 CFEDMN C=CCN1CC[C@H](C)[C@H](NC(=O)c2cc3ccccc3[nH]2)C1 ZINC000968627627 613773524 /nfs/dbraw/zinc/77/35/24/613773524.db2.gz KLUQJRRUTPMEMN-SUMWQHHRSA-N 0 1 297.402 2.794 20 30 CFEDMN C=CCN1C[C@@H](NC(=O)C2C(C)(C)C2(C)C)C(C)(C)C1 ZINC000972999444 613806342 /nfs/dbraw/zinc/80/63/42/613806342.db2.gz ZKRNMSBQPADOHW-GFCCVEGCSA-N 0 1 278.440 2.681 20 30 CFEDMN C=CCN1C[C@@H](NC(=O)[C@H]2CC3CCC2CC3)C(C)(C)C1 ZINC000977622936 613808708 /nfs/dbraw/zinc/80/87/08/613808708.db2.gz ULFDJYKZXPGBRS-SSHXOBKSSA-N 0 1 290.451 2.825 20 30 CFEDMN C=CCN1C[C@@H](NC(=O)c2c(C)cccc2F)C(C)(C)C1 ZINC000977654982 613809299 /nfs/dbraw/zinc/80/92/99/613809299.db2.gz BDMLYYKTCCDXJS-CQSZACIVSA-N 0 1 290.382 2.760 20 30 CFEDMN C=CCN1C[C@@H](NC(=O)c2ccc(F)c(C)c2)C(C)(C)C1 ZINC000974974153 613809815 /nfs/dbraw/zinc/80/98/15/613809815.db2.gz NZMVIEPJTQNKSX-OAHLLOKOSA-N 0 1 290.382 2.760 20 30 CFEDMN C=CCN1C[C@@H](NC(=O)c2ccc(C)cc2)C(C)(C)C1 ZINC000977532940 613810115 /nfs/dbraw/zinc/81/01/15/613810115.db2.gz OWZXPBSQWLWDQC-OAHLLOKOSA-N 0 1 272.392 2.621 20 30 CFEDMN C=CCN1C[C@H](NC(=O)c2ccc(C)cc2F)C(C)(C)C1 ZINC000975107185 613828850 /nfs/dbraw/zinc/82/88/50/613828850.db2.gz OTWVHLQNANNYKO-HNNXBMFYSA-N 0 1 290.382 2.760 20 30 CFEDMN C=CCN1C[C@H](NC(=O)c2ccccc2CC)C(C)(C)C1 ZINC000974990187 613829218 /nfs/dbraw/zinc/82/92/18/613829218.db2.gz XXQKBWIDHQAGNQ-INIZCTEOSA-N 0 1 286.419 2.875 20 30 CFEDMN CC(C)C(=O)N[C@@H]1CCN(CC#Cc2ccccc2)[C@H](C)C1 ZINC000947069727 613924670 /nfs/dbraw/zinc/92/46/70/613924670.db2.gz BILXMAIYMNQALQ-SJLPKXTDSA-N 0 1 298.430 2.663 20 30 CFEDMN CCOC1CCN(Cc2csc(C#N)c2)CC1 ZINC000891669226 617701643 /nfs/dbraw/zinc/70/16/43/617701643.db2.gz YZIBTMPXBRNVKU-UHFFFAOYSA-N 0 1 250.367 2.621 20 30 CFEDMN C=CC[C@@H]1CCN1[C@H]1CCc2ccccc2NC1=O ZINC000934462999 618041925 /nfs/dbraw/zinc/04/19/25/618041925.db2.gz VPNMQOYFVZOEJU-HIFRSBDPSA-N 0 1 256.349 2.590 20 30 CFEDMN COC(C)(C)C(=O)C(C#N)c1nc(C(C)C)cs1 ZINC000177760972 618096917 /nfs/dbraw/zinc/09/69/17/618096917.db2.gz BAJXAROUXFIOPF-VIFPVBQESA-N 0 1 266.366 2.868 20 30 CFEDMN C=CC[C@H]1CCN1C(=O)c1c[nH]c2ccc(C)cc2c1=O ZINC000890558295 617650559 /nfs/dbraw/zinc/65/05/59/617650559.db2.gz AKWKLKQXBHMUMO-LBPRGKRZSA-N 0 1 282.343 2.627 20 30 CFEDMN C=CC[C@H]1CCN1C(=O)c1cc(C)cc2c[nH]nc21 ZINC000890559571 617652275 /nfs/dbraw/zinc/65/22/75/617652275.db2.gz ASZLTFBSKAYOKG-LBPRGKRZSA-N 0 1 255.321 2.662 20 30 CFEDMN CN(C)c1ccc(C=NNC[C@H]2CCSC2)cc1F ZINC000811657836 617687441 /nfs/dbraw/zinc/68/74/41/617687441.db2.gz DUEGIENPBFVGBM-GFCCVEGCSA-N 0 1 281.400 2.568 20 30 CFEDMN N#Cc1ccc(CCN[C@H](c2ncccn2)C2CC2)cc1 ZINC000932353426 617688584 /nfs/dbraw/zinc/68/85/84/617688584.db2.gz METHTFARBGEESD-INIZCTEOSA-N 0 1 278.359 2.632 20 30 CFEDMN C#CCN(Cc1cnc(Br)c(C)c1)C(C)C ZINC000932384004 617707298 /nfs/dbraw/zinc/70/72/98/617707298.db2.gz MALTTXRCHUVNEE-UHFFFAOYSA-N 0 1 281.197 2.996 20 30 CFEDMN C#CCCCN[C@@H](c1ncc[nH]1)c1ccc(F)cc1 ZINC000188087308 617745882 /nfs/dbraw/zinc/74/58/82/617745882.db2.gz MHOYYEKCCJQAJR-CQSZACIVSA-N 0 1 257.312 2.641 20 30 CFEDMN C[C@@H](CCC#N)N1CC[C@H](c2nccc(C(F)(F)F)n2)C1 ZINC000933714249 617758366 /nfs/dbraw/zinc/75/83/66/617758366.db2.gz UPYXFWSQYUIPMV-QWRGUYRKSA-N 0 1 298.312 2.977 20 30 CFEDMN CCc1ccc(NC(=O)C(C#N)C(=O)[C@H]2C[C@@H]2C2CC2)cc1 ZINC000176091781 617779301 /nfs/dbraw/zinc/77/93/01/617779301.db2.gz ATYIGFYVBJJYBH-OWCLPIDISA-N 0 1 296.370 2.942 20 30 CFEDMN C[C@@H]1CCCN(CCNc2cc(C#N)sc2[N+](=O)[O-])C1 ZINC000891838935 617780547 /nfs/dbraw/zinc/78/05/47/617780547.db2.gz YAXZLLCTBGOACV-SNVBAGLBSA-N 0 1 294.380 2.672 20 30 CFEDMN C=C[C@H](CC)CC(=O)NCCc1nc2ccc(F)cc2[nH]1 ZINC000933852327 617794052 /nfs/dbraw/zinc/79/40/52/617794052.db2.gz NMKJUKRUKVVEMO-LLVKDONJSA-N 0 1 289.354 2.963 20 30 CFEDMN C=C(Br)CNCc1[nH]nc2ccccc21 ZINC000308870122 617909405 /nfs/dbraw/zinc/90/94/05/617909405.db2.gz YPIJCRRSDHNXHU-UHFFFAOYSA-N 0 1 266.142 2.561 20 30 CFEDMN C=C(C)c1cccc(NC(=O)[C@@H](C)CN2CCOCC2)c1 ZINC000890890143 617935873 /nfs/dbraw/zinc/93/58/73/617935873.db2.gz KLBBKRKMLZZYEA-AWEZNQCLSA-N 0 1 288.391 2.627 20 30 CFEDMN C[C@@H]1CCN(Cc2csc(C#N)c2)C[C@H]1n1ccnc1 ZINC000892223409 618012244 /nfs/dbraw/zinc/01/22/44/618012244.db2.gz IKSMRYRJPIVNAQ-IUODEOHRSA-N 0 1 286.404 2.899 20 30 CFEDMN Oc1ccccc1/C=N\C1CCN(Cc2ccncc2)CC1 ZINC000255160487 618020828 /nfs/dbraw/zinc/02/08/28/618020828.db2.gz NDMWWHYQOFGUNM-MOSHPQCFSA-N 0 1 295.386 2.871 20 30 CFEDMN N#Cc1csc(CNCc2ccc(Cl)nc2)c1 ZINC000177687220 618023421 /nfs/dbraw/zinc/02/34/21/618023421.db2.gz GPCJTYGTDJBQAL-UHFFFAOYSA-N 0 1 263.753 2.958 20 30 CFEDMN C#CC[N@H+]1CC[C@@H]2[C@H](CCCN2C(=O)CC2CCCC2)C1 ZINC001021509171 618036070 /nfs/dbraw/zinc/03/60/70/618036070.db2.gz PIDHWUWMADKMMQ-IAGOWNOFSA-N 0 1 288.435 2.513 20 30 CFEDMN Cn1nc2c(c1CN=Nc1ccc(F)c(F)c1F)CCC2 ZINC000901246361 620771455 /nfs/dbraw/zinc/77/14/55/620771455.db2.gz XSSPDDUCCCCNPY-UHFFFAOYSA-N 0 1 294.280 2.772 20 30 CFEDMN C=CC[C@H]1CC[N@H+]1C[C@H](C)C(=O)c1ccc([O-])cc1 ZINC000934459076 618039614 /nfs/dbraw/zinc/03/96/14/618039614.db2.gz ADTZATINOYUZPU-JSGCOSHPSA-N 0 1 259.349 2.861 20 30 CFEDMN C=CC[C@H]1CC[N@@H+]1C[C@H](C)C(=O)c1ccc([O-])cc1 ZINC000934459076 618039618 /nfs/dbraw/zinc/03/96/18/618039618.db2.gz ADTZATINOYUZPU-JSGCOSHPSA-N 0 1 259.349 2.861 20 30 CFEDMN C=CC[C@H]1CC[N@@H+]1Cc1ccc(C(=O)OC)s1 ZINC000934464363 618043722 /nfs/dbraw/zinc/04/37/22/618043722.db2.gz FNTWWOMYCKBVSX-JTQLQIEISA-N 0 1 251.351 2.685 20 30 CFEDMN C=CC[C@H]1CCN1Cc1ccc(C(=O)OC)s1 ZINC000934464363 618043727 /nfs/dbraw/zinc/04/37/27/618043727.db2.gz FNTWWOMYCKBVSX-JTQLQIEISA-N 0 1 251.351 2.685 20 30 CFEDMN COc1ccc(NN=C(C)c2ccnn2C2CCC2)nc1 ZINC000901227195 620774218 /nfs/dbraw/zinc/77/42/18/620774218.db2.gz JDZIZZIWIKZPCJ-UHFFFAOYSA-N 0 1 285.351 2.848 20 30 CFEDMN CC(C)(C)CCC(=O)C(C#N)C(=O)Nc1ccccn1 ZINC000121860857 618092687 /nfs/dbraw/zinc/09/26/87/618092687.db2.gz XDGMIEADLZISJI-LLVKDONJSA-N 0 1 273.336 2.555 20 30 CFEDMN Cc1ccc(F)cc1CNCc1ccc(C#N)cn1 ZINC000780557137 618106429 /nfs/dbraw/zinc/10/64/29/618106429.db2.gz UTIOZECGICGMQK-UHFFFAOYSA-N 0 1 255.296 2.691 20 30 CFEDMN CCn1cncc1C=NNc1cccc(C(F)(F)F)n1 ZINC000841625859 618116648 /nfs/dbraw/zinc/11/66/48/618116648.db2.gz LYDDXWNTRDKYNU-UHFFFAOYSA-N 0 1 283.257 2.763 20 30 CFEDMN Cc1ccc(F)c(NN=C2C[C@@H](C)n3ncnc32)c1 ZINC000841629681 618134649 /nfs/dbraw/zinc/13/46/49/618134649.db2.gz SAGGIXYESGUCGT-SECBINFHSA-N 0 1 259.288 2.507 20 30 CFEDMN C#CCN(Cc1cc(C(=O)OC)ccc1F)C1CCCC1 ZINC000781335128 618145575 /nfs/dbraw/zinc/14/55/75/618145575.db2.gz FDBBRIOKOCWHDO-UHFFFAOYSA-N 0 1 289.350 2.990 20 30 CFEDMN C#CCSCCNCc1coc(-c2ccccc2)n1 ZINC000156296906 618155932 /nfs/dbraw/zinc/15/59/32/618155932.db2.gz PKUUEHOHYPMDPL-UHFFFAOYSA-N 0 1 272.373 2.798 20 30 CFEDMN C#CC[N@@H+]1CCC[C@H](CNC(=O)c2ccccc2CCC)C1 ZINC001023480081 618192762 /nfs/dbraw/zinc/19/27/62/618192762.db2.gz ZLQVZDJTGSXJHK-MRXNPFEDSA-N 0 1 298.430 2.714 20 30 CFEDMN C=CCCCN1CCO[C@@H]([C@@H](C)NC(=O)OC(C)(C)C)C1 ZINC000158811281 618197695 /nfs/dbraw/zinc/19/76/95/618197695.db2.gz KNVYXCUUQZLNGG-ZIAGYGMSSA-N 0 1 298.427 2.567 20 30 CFEDMN N#Cc1ccc(O)c(NC(=O)CCc2cccs2)c1 ZINC000176816976 618205365 /nfs/dbraw/zinc/20/53/65/618205365.db2.gz WMEZSMTUEFNIHB-UHFFFAOYSA-N 0 1 272.329 2.897 20 30 CFEDMN N#Cc1ccc(O)c(NC(=O)CCc2ccccc2)c1 ZINC000176824093 618207194 /nfs/dbraw/zinc/20/71/94/618207194.db2.gz DFKATYSLYABQGL-UHFFFAOYSA-N 0 1 266.300 2.835 20 30 CFEDMN CCOCc1nc(Cl)cc(NN=Cc2cncs2)n1 ZINC000901313296 620789687 /nfs/dbraw/zinc/78/96/87/620789687.db2.gz LGCAEOFAYOODLH-UHFFFAOYSA-N 0 1 297.771 2.569 20 30 CFEDMN C#CCN(Cc1n[nH]c(C)c1C)Cc1ccc(F)cc1 ZINC000893977267 618258370 /nfs/dbraw/zinc/25/83/70/618258370.db2.gz DAKJBUDJCNJJSF-UHFFFAOYSA-N 0 1 271.339 2.801 20 30 CFEDMN C#Cc1cccc(NC(=O)CN(C)CCc2ccccc2)c1 ZINC000053206446 618261337 /nfs/dbraw/zinc/26/13/37/618261337.db2.gz JNIYZPDQADYSDT-UHFFFAOYSA-N 0 1 292.382 2.781 20 30 CFEDMN CN(C)c1ccc(C(=O)Nc2cc(C#N)ccc2O)c(F)c1 ZINC000162357612 618272497 /nfs/dbraw/zinc/27/24/97/618272497.db2.gz UVNBTVAETVSKPK-UHFFFAOYSA-N 0 1 299.305 2.721 20 30 CFEDMN CCCC(N)=NOCCCOc1ccc(OC)cc1 ZINC000187140867 618273013 /nfs/dbraw/zinc/27/30/13/618273013.db2.gz PLNQAPVNUOMYBP-UHFFFAOYSA-N 0 1 266.341 2.553 20 30 CFEDMN C[C@@H]1CN(Cc2ccccc2CF)C[C@H](C)N1CC#N ZINC000930828625 618288720 /nfs/dbraw/zinc/28/87/20/618288720.db2.gz LUKDQXWDPPBUQH-OKILXGFUSA-N 0 1 275.371 2.574 20 30 CFEDMN C#CCCN1CCCC[C@@H]1CNC(=O)c1sccc1C ZINC001024307466 618289576 /nfs/dbraw/zinc/28/95/76/618289576.db2.gz VXGDDIZHWORSQX-CQSZACIVSA-N 0 1 290.432 2.664 20 30 CFEDMN N#CC(C(=O)CCCCc1ccccc1)C(=O)N1CCCC1 ZINC000892457180 618293748 /nfs/dbraw/zinc/29/37/48/618293748.db2.gz FNKVWLXEKLLIIC-MRXNPFEDSA-N 0 1 298.386 2.731 20 30 CFEDMN C=CCN1CCCC[C@H]1CNC(=O)C1C(C)(C)C1(C)C ZINC001024378620 618305516 /nfs/dbraw/zinc/30/55/16/618305516.db2.gz NEQWZDCPRSVIOB-ZDUSSCGKSA-N 0 1 278.440 2.825 20 30 CFEDMN CCc1nn(C)cc1/C=C\C(=O)c1ccc(OC)cc1O ZINC000255828348 618324128 /nfs/dbraw/zinc/32/41/28/618324128.db2.gz OTRXHELUWFKJOD-YVMONPNESA-N 0 1 286.331 2.593 20 30 CFEDMN CCn1cc(CN[C@@H]2CCc3cc(C#N)ccc32)c(C)n1 ZINC000894100839 618332275 /nfs/dbraw/zinc/33/22/75/618332275.db2.gz BSTPTURZQCNELO-QGZVFWFLSA-N 0 1 280.375 2.860 20 30 CFEDMN CC#CCN1CCCC[C@H]1CNC(=O)[C@H]1CCCC12CC2 ZINC001024504928 618335201 /nfs/dbraw/zinc/33/52/01/618335201.db2.gz SZDUITWUSWMVMY-JKSUJKDBSA-N 0 1 288.435 2.561 20 30 CFEDMN CC#CCN1CCCC[C@@H]1CNC(=O)[C@H]1CCCC12CC2 ZINC001024504927 618335978 /nfs/dbraw/zinc/33/59/78/618335978.db2.gz SZDUITWUSWMVMY-HZPDHXFCSA-N 0 1 288.435 2.561 20 30 CFEDMN C#CCN(Cc1ccc(F)cc1)C[C@@H](O)Cc1ccccc1 ZINC000195725135 618339290 /nfs/dbraw/zinc/33/92/90/618339290.db2.gz NKYLDHZNNQNBDW-IBGZPJMESA-N 0 1 297.373 2.865 20 30 CFEDMN COc1ccc(CNCC2(C#N)CCCC2)c(O)c1OC ZINC000895141979 618375349 /nfs/dbraw/zinc/37/53/49/618375349.db2.gz NCTYWTHWUHUYRB-UHFFFAOYSA-N 0 1 290.363 2.583 20 30 CFEDMN C#C[C@H](NCc1ccccc1SC)[C@H]1CCCO1 ZINC000775794078 618378355 /nfs/dbraw/zinc/37/83/55/618378355.db2.gz OJMMVZJUWXMWDH-UONOGXRCSA-N 0 1 261.390 2.679 20 30 CFEDMN CC#CCCCC(=O)N(C)[C@H](c1nnc[nH]1)c1ccccc1 ZINC000909482665 618409173 /nfs/dbraw/zinc/40/91/73/618409173.db2.gz UFMJNJUSHJIQNT-INIZCTEOSA-N 0 1 296.374 2.546 20 30 CFEDMN CC#CCN1CCCC[C@H]1CNC(=O)[C@@H]1CCCC1(C)C ZINC001024610785 618414511 /nfs/dbraw/zinc/41/45/11/618414511.db2.gz YPDIQPSGUCBJNO-HOTGVXAUSA-N 0 1 290.451 2.807 20 30 CFEDMN CC#CCN1CCCC[C@H]1CNC(=O)[C@H]1CC[C@H](C)CC1 ZINC001024770968 618465870 /nfs/dbraw/zinc/46/58/70/618465870.db2.gz ALDJEIPREUTTTP-ULQDDVLXSA-N 0 1 290.451 2.807 20 30 CFEDMN C=CCN1CCCC[C@@H]1CNC(=O)c1ccc(C2CC2)cn1 ZINC001024782537 618469234 /nfs/dbraw/zinc/46/92/34/618469234.db2.gz JNGQHSMJOZWEFG-MRXNPFEDSA-N 0 1 299.418 2.729 20 30 CFEDMN C#CCN1CCCC[C@H]1CNC(=O)c1c(C)cc(C)cc1C ZINC001024791179 618472641 /nfs/dbraw/zinc/47/26/41/618472641.db2.gz WFNQANDAYZMQMK-KRWDZBQOSA-N 0 1 298.430 2.829 20 30 CFEDMN CC(=NNc1ccc(C)cn1)c1ccc2c(c1)NC(=O)CO2 ZINC000727259560 618475503 /nfs/dbraw/zinc/47/55/03/618475503.db2.gz GNOVKGXKWYAFBK-UHFFFAOYSA-N 0 1 296.330 2.557 20 30 CFEDMN CC(=NNc1ccc(C)cn1)c1ccc2c(c1)OCCO2 ZINC000727259602 618476084 /nfs/dbraw/zinc/47/60/84/618476084.db2.gz HSCUMRORWDBABS-UHFFFAOYSA-N 0 1 283.331 2.997 20 30 CFEDMN C#C[C@@H]1CCCCN1C(=O)NCc1nc2ccc(C)cc2[nH]1 ZINC000893360146 618479750 /nfs/dbraw/zinc/47/97/50/618479750.db2.gz IVAFXINYSCQYNE-CYBMUJFWSA-N 0 1 296.374 2.569 20 30 CFEDMN CCCCCCCC(=O)N1CCN(C[C@H]2CCOC2)CC1 ZINC000178085600 618623503 /nfs/dbraw/zinc/62/35/03/618623503.db2.gz YEXWKQJTYFEKBS-MRXNPFEDSA-N 0 1 296.455 2.528 20 30 CFEDMN C[C@@H]1CN(Cc2ccc(OCC#N)cc2)[C@@H](C)[C@@H](C)O1 ZINC000782624342 618649447 /nfs/dbraw/zinc/64/94/47/618649447.db2.gz UYNVAYYONUACEV-HZSPNIEDSA-N 0 1 274.364 2.587 20 30 CFEDMN N#CC(C(=O)CC[C@@H]1CC1(Cl)Cl)c1ccncn1 ZINC000850948828 618669486 /nfs/dbraw/zinc/66/94/86/618669486.db2.gz WUEBBSRCIAHCAO-RKDXNWHRSA-N 0 1 284.146 2.627 20 30 CFEDMN C#CCCN1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1CCCC1(C)C ZINC001017821842 618672535 /nfs/dbraw/zinc/67/25/35/618672535.db2.gz KMZRQFZKZFJYPD-XHSDSOJGSA-N 0 1 288.435 2.511 20 30 CFEDMN C#C[C@@](C)(CC)NCc1ncccc1C(F)(F)F ZINC000852103197 618761964 /nfs/dbraw/zinc/76/19/64/618761964.db2.gz ACXKWKSLNYPYFF-LBPRGKRZSA-N 0 1 256.271 2.992 20 30 CFEDMN CCCN1CC[C@H](Nc2snc(Cl)c2C#N)C1 ZINC000853905676 618882821 /nfs/dbraw/zinc/88/28/21/618882821.db2.gz DQTSEOJGKCFQFA-QMMMGPOBSA-N 0 1 270.789 2.564 20 30 CFEDMN N#CC[C@@H](O)CN1CC2(CCCC2)[C@@H]1c1ccccc1 ZINC000930687257 618922501 /nfs/dbraw/zinc/92/25/01/618922501.db2.gz KWUJZYNMRGTYPV-CVEARBPZSA-N 0 1 270.376 2.878 20 30 CFEDMN CC[C@H](CC#N)NC[C@@H]1CCC[C@@H](C(F)(F)F)O1 ZINC000930693422 618924287 /nfs/dbraw/zinc/92/42/87/618924287.db2.gz NIQMROAWUQBMGD-VWYCJHECSA-N 0 1 264.291 2.768 20 30 CFEDMN C=C(C)CN1CCC[C@H](NC(=O)c2ccc(F)cc2C)C1 ZINC001009289066 618987994 /nfs/dbraw/zinc/98/79/94/618987994.db2.gz RFSCMDBDBHEDCB-HNNXBMFYSA-N 0 1 290.382 2.904 20 30 CFEDMN C=CCN1CCC[C@H](NC(=O)C2(c3cccc(C)c3)CC2)C1 ZINC001009632525 619004807 /nfs/dbraw/zinc/00/48/07/619004807.db2.gz XACMOKLJFNTTQS-KRWDZBQOSA-N 0 1 298.430 2.793 20 30 CFEDMN C=C(C)CN1CCC[C@@H](NC(=O)c2cccc3c2CCC3)C1 ZINC001009684845 619013265 /nfs/dbraw/zinc/01/32/65/619013265.db2.gz SJXUEWZPJXTNRO-MRXNPFEDSA-N 0 1 298.430 2.946 20 30 CFEDMN C=C(Cl)CN[C@@H]1CN(C(=O)/C=C(/C)C2CC2)CC1(C)C ZINC000995506033 625730795 /nfs/dbraw/zinc/73/07/95/625730795.db2.gz REOXYGXXCJXEAF-SMJHDNPOSA-N 0 1 296.842 2.922 20 30 CFEDMN C=CCCN1CCC[C@@H]1C(=O)OCc1ccccc1 ZINC000106973466 619127167 /nfs/dbraw/zinc/12/71/67/619127167.db2.gz MULSCVKOKKCPFX-OAHLLOKOSA-N 0 1 259.349 2.770 20 30 CFEDMN N#C[C@@H](C(=O)NC1CCCCC1)C(=O)[C@H]1CC12CCCC2 ZINC000747481421 619252255 /nfs/dbraw/zinc/25/22/55/619252255.db2.gz ZOMBBXCJBIHNOA-ZIAGYGMSSA-N 0 1 288.391 2.724 20 30 CFEDMN COCCON=C1CCCN(Cc2ccccc2)[C@@H]1C ZINC000814865533 619284770 /nfs/dbraw/zinc/28/47/70/619284770.db2.gz XXZKPDBRGFTVFL-CQSZACIVSA-N 0 1 276.380 2.690 20 30 CFEDMN CO[C@@H]1CC[C@@H](C)N(Cc2ccc(C#N)s2)C1 ZINC000879326228 619336403 /nfs/dbraw/zinc/33/64/03/619336403.db2.gz QLDYMAWIYHAQRM-GHMZBOCLSA-N 0 1 250.367 2.619 20 30 CFEDMN C#C[C@H](CC)NCc1cnc(CC(F)(F)F)s1 ZINC000894387527 619363248 /nfs/dbraw/zinc/36/32/48/619363248.db2.gz OUMAROJGRZLBLF-MRVPVSSYSA-N 0 1 262.300 2.749 20 30 CFEDMN N#Cc1cc(CN2CCSC[C@@H]2C2CC2)cs1 ZINC000894731792 619452427 /nfs/dbraw/zinc/45/24/27/619452427.db2.gz WHAPXVBNBNQKDS-CYBMUJFWSA-N 0 1 264.419 2.947 20 30 CFEDMN C#CC[C@H](NCc1cncn1CC)c1ccccc1 ZINC000841865730 619481453 /nfs/dbraw/zinc/48/14/53/619481453.db2.gz FCCUMHOKJQNYAK-INIZCTEOSA-N 0 1 253.349 2.757 20 30 CFEDMN C#CC[C@H](CO)N[C@@H](C)c1ccc(-c2ccccc2)cn1 ZINC000895490800 619540672 /nfs/dbraw/zinc/54/06/72/619540672.db2.gz SPMFCPLULWCGAV-WMLDXEAASA-N 0 1 280.371 2.783 20 30 CFEDMN C#Cc1ccc(CN2CC[C@@](OC)(C(F)(F)F)C2)cc1 ZINC000895577736 619559545 /nfs/dbraw/zinc/55/95/45/619559545.db2.gz SFYDXLIFQGJYDP-AWEZNQCLSA-N 0 1 283.293 2.821 20 30 CFEDMN C#CCC1(O)CCN(C/C=C/c2ccccc2OC)CC1 ZINC000895675616 619579963 /nfs/dbraw/zinc/57/99/63/619579963.db2.gz SFPLBMBGQYRDHJ-SOFGYWHQSA-N 0 1 285.387 2.559 20 30 CFEDMN C=C(C)C[C@H](CO)[NH2+]Cc1cc(Cl)c(C)cc1[O-] ZINC000895714125 619589139 /nfs/dbraw/zinc/58/91/39/619589139.db2.gz ZHUKQSQSFXFXJC-GFCCVEGCSA-N 0 1 269.772 2.771 20 30 CFEDMN C#CCN1CCC(Nc2cc(C)cc(F)c2C#N)CC1 ZINC000895810824 619610047 /nfs/dbraw/zinc/61/00/47/619610047.db2.gz KXAVLQKAZBKSTQ-UHFFFAOYSA-N 0 1 271.339 2.515 20 30 CFEDMN C=CCC1(O)CCN(Cc2cnc(C(C)(C)C)nc2)CC1 ZINC000895834662 619619789 /nfs/dbraw/zinc/61/97/89/619619789.db2.gz OBXKGSTWYPCIOD-UHFFFAOYSA-N 0 1 289.423 2.677 20 30 CFEDMN CO[C@@H]1CC[C@H](C)N(Cc2cc(C#N)cs2)C1 ZINC000895929443 619637930 /nfs/dbraw/zinc/63/79/30/619637930.db2.gz ZWSRAQFLVHURDY-CMPLNLGQSA-N 0 1 250.367 2.619 20 30 CFEDMN COCCCC1(CN2CCC[C@H](C#N)C2)CCC1 ZINC000896501327 619750837 /nfs/dbraw/zinc/75/08/37/619750837.db2.gz PGVXPKVCQJDGCB-CQSZACIVSA-N 0 1 250.386 2.819 20 30 CFEDMN C=CCOc1ccc(CN2CCO[C@@H](C)CC2)cc1OC ZINC000896585649 619768043 /nfs/dbraw/zinc/76/80/43/619768043.db2.gz WEUHJBHWSUOWDL-AWEZNQCLSA-N 0 1 291.391 2.871 20 30 CFEDMN C=CCOc1ccc(CN2CCO[C@H](C)CC2)cc1OC ZINC000896585651 619768276 /nfs/dbraw/zinc/76/82/76/619768276.db2.gz WEUHJBHWSUOWDL-CQSZACIVSA-N 0 1 291.391 2.871 20 30 CFEDMN Cc1ccc(CN2CCC[C@H](Nc3ccc(C#N)cn3)C2)o1 ZINC000896659395 619782340 /nfs/dbraw/zinc/78/23/40/619782340.db2.gz DMLUFDONEYKUTK-HNNXBMFYSA-N 0 1 296.374 2.931 20 30 CFEDMN N#Cc1ccc(N[C@@H]2CCCN(Cc3ccco3)C2)nc1 ZINC000896660495 619782830 /nfs/dbraw/zinc/78/28/30/619782830.db2.gz PIZXZGJUGAAJKV-CQSZACIVSA-N 0 1 282.347 2.623 20 30 CFEDMN N#CC[C@H](NCc1ccc(F)c(F)c1O)C(F)(F)F ZINC000896697335 619793116 /nfs/dbraw/zinc/79/31/16/619793116.db2.gz QUGXVHMCQKWODF-QMMMGPOBSA-N 0 1 280.196 2.605 20 30 CFEDMN N#Cc1ccc2ncc(CN3CCC(F)(C4CC4)CC3)n2c1 ZINC000896946626 619902238 /nfs/dbraw/zinc/90/22/38/619902238.db2.gz MCYDBCWOWXWUGF-UHFFFAOYSA-N 0 1 298.365 2.920 20 30 CFEDMN C=C1CCC(C(=O)N[C@@H]2CCCc3cn[nH]c32)CC1 ZINC000897031567 619915040 /nfs/dbraw/zinc/91/50/40/619915040.db2.gz ZLWZRJOBFPQWCV-CYBMUJFWSA-N 0 1 259.353 2.650 20 30 CFEDMN CC#CCN(C)Cc1ccc(OC(=O)CC)c(OCC)c1 ZINC000897168831 619943508 /nfs/dbraw/zinc/94/35/08/619943508.db2.gz HBOVGZGWPNNCPA-UHFFFAOYSA-N 0 1 289.375 2.856 20 30 CFEDMN C=C(Cl)CN(C)C1CCN(C(=O)[C@H](C)C2CC2)CC1 ZINC000985359165 619963983 /nfs/dbraw/zinc/96/39/83/619963983.db2.gz OOSPZFAKSNBAQT-GFCCVEGCSA-N 0 1 284.831 2.708 20 30 CFEDMN C[C@@H](CCC#N)C[NH2+]CCc1c(F)cc([O-])cc1F ZINC000897305177 619975116 /nfs/dbraw/zinc/97/51/16/619975116.db2.gz PZVHDKMHEWRBOH-JTQLQIEISA-N 0 1 268.307 2.742 20 30 CFEDMN C=C(Cl)CN(C)C1CCN(C(=O)CC(C)(F)F)CC1 ZINC000985633028 620015132 /nfs/dbraw/zinc/01/51/32/620015132.db2.gz OIBRNEYFXMEAKW-UHFFFAOYSA-N 0 1 294.773 2.707 20 30 CFEDMN C=C(Cl)CN[C@@H]1CCN(C(=O)/C=C/c2ccco2)[C@@H]1C ZINC000985885406 620048480 /nfs/dbraw/zinc/04/84/80/620048480.db2.gz AUSCQICHUMEXGI-HGIUVPSYSA-N 0 1 294.782 2.624 20 30 CFEDMN C=C(Cl)CN[C@@H]1CCN(C(=O)CC(C)(C)C)[C@H]1C ZINC000985978896 620055991 /nfs/dbraw/zinc/05/59/91/620055991.db2.gz XOLOMVFBTCNSEF-NWDGAFQWSA-N 0 1 272.820 2.754 20 30 CFEDMN C=C(Cl)CN[C@H]1CCN(C(=O)c2ccccc2)[C@@H]1C ZINC000985904616 620051320 /nfs/dbraw/zinc/05/13/20/620051320.db2.gz ZOKZOOKOWYGPAS-OCCSQVGLSA-N 0 1 278.783 2.632 20 30 CFEDMN CC(C)CC(=O)N1CC[C@@H](NCc2ccccc2C#N)[C@@H]1C ZINC000985912715 620051826 /nfs/dbraw/zinc/05/18/26/620051826.db2.gz XUVXTPVWIHKTCJ-WMLDXEAASA-N 0 1 299.418 2.683 20 30 CFEDMN CC(C)=CC(=O)N1CC[C@@H](NCc2ccccc2C#N)[C@@H]1C ZINC000985934235 620053251 /nfs/dbraw/zinc/05/32/51/620053251.db2.gz YZZUPOLJECXEAV-WMLDXEAASA-N 0 1 297.402 2.603 20 30 CFEDMN C=C(Cl)CN[C@@H]1CCN(C(=O)c2ccsc2)[C@H]1C ZINC000985941112 620053625 /nfs/dbraw/zinc/05/36/25/620053625.db2.gz IMLCPRSQJFGXLX-CMPLNLGQSA-N 0 1 284.812 2.693 20 30 CFEDMN C=C(Cl)CN[C@H]1CCN(C(=O)CC2CCC2)[C@@H]1C ZINC000986138408 620072286 /nfs/dbraw/zinc/07/22/86/620072286.db2.gz YKQCCOYQWPWAHO-YPMHNXCESA-N 0 1 270.804 2.508 20 30 CFEDMN C=C(Cl)CN[C@@H]1CCN(C(=O)Cc2ccccc2)[C@H]1C ZINC000986437466 620082187 /nfs/dbraw/zinc/08/21/87/620082187.db2.gz OZWXJMWBVGNYIM-DZGCQCFKSA-N 0 1 292.810 2.561 20 30 CFEDMN N#Cc1cnc(Cl)c(CNC2([C@H]3CCCCO3)CC2)c1 ZINC000897387169 620089588 /nfs/dbraw/zinc/08/95/88/620089588.db2.gz IKKRSLHIFQMFKK-CYBMUJFWSA-N 0 1 291.782 2.798 20 30 CFEDMN C=C(Br)CN1CCCC[C@H]1C[C@@H](C)O ZINC000163117371 625395287 /nfs/dbraw/zinc/39/52/87/625395287.db2.gz GMKBWLLXSIAOJC-MNOVXSKESA-N 0 1 262.191 2.520 20 30 CFEDMN C=C(Cl)CN[C@H]1C[C@@H](C)N(C(=O)c2ccccc2C)C1 ZINC000987868693 620158111 /nfs/dbraw/zinc/15/81/11/620158111.db2.gz WBPYBZYEDJBSCO-KGLIPLIRSA-N 0 1 292.810 2.940 20 30 CFEDMN C=C(Cl)CN[C@@H]1C[C@H](C)N(C(=O)c2c(C)coc2C)C1 ZINC000988759237 620220598 /nfs/dbraw/zinc/22/05/98/620220598.db2.gz SLODDFXFGAJIRP-WCQYABFASA-N 0 1 296.798 2.842 20 30 CFEDMN C=C(Cl)CN[C@@H]1C[C@@H](C)N(C(=O)C2CC3(CCC3)C2)C1 ZINC000989314593 620244767 /nfs/dbraw/zinc/24/47/67/620244767.db2.gz BRNPUTIHKOGDSC-TZMCWYRMSA-N 0 1 296.842 2.898 20 30 CFEDMN N#Cc1ccc(C2CCN(Cc3cncnc3)CC2)cc1 ZINC000897589376 620252996 /nfs/dbraw/zinc/25/29/96/620252996.db2.gz LKXOPGAFOACACE-UHFFFAOYSA-N 0 1 278.359 2.728 20 30 CFEDMN CC(C)(C)N1CC[C@@H]1C(=O)N[C@@H]1CCc2cc(C#N)ccc21 ZINC000897594034 620254258 /nfs/dbraw/zinc/25/42/58/620254258.db2.gz LMVJHEPNVARZNW-HZPDHXFCSA-N 0 1 297.402 2.535 20 30 CFEDMN CC[C@@](C)(CN1CCO[C@@H](c2ccc(C#N)cc2)C1)OC ZINC000897595637 620254541 /nfs/dbraw/zinc/25/45/41/620254541.db2.gz DRHNRUAWGPXUEP-SJORKVTESA-N 0 1 288.391 2.747 20 30 CFEDMN N#Cc1ccc([C@@H]2CN(C[C@@H]3CCSC3)CCO2)cc1 ZINC000897595664 620254651 /nfs/dbraw/zinc/25/46/51/620254651.db2.gz FGYCRRCAAZROAS-HOCLYGCPSA-N 0 1 288.416 2.685 20 30 CFEDMN C=CC[N@@H+]1CCCN(C(=O)[C@@H](C)C2CCCC2)CC1 ZINC000989455221 620339568 /nfs/dbraw/zinc/33/95/68/620339568.db2.gz ZZTSTNRGDGTXCR-AWEZNQCLSA-N 0 1 264.413 2.533 20 30 CFEDMN C=CCN1CCCN(C(=O)[C@@H](C)C2CCCC2)CC1 ZINC000989455221 620339570 /nfs/dbraw/zinc/33/95/70/620339570.db2.gz ZZTSTNRGDGTXCR-AWEZNQCLSA-N 0 1 264.413 2.533 20 30 CFEDMN C=C[C@H](C)ONC(=O)[C@@H](c1ccncc1)C1CCCC1 ZINC000898281007 620364337 /nfs/dbraw/zinc/36/43/37/620364337.db2.gz NOADNVIWAKKGIE-SWLSCSKDSA-N 0 1 274.364 2.978 20 30 CFEDMN C=C(Cl)CN[C@@H]1C[C@H](C)N(C(=O)c2cc(C)[nH]c2C)C1 ZINC000989494405 620378101 /nfs/dbraw/zinc/37/81/01/620378101.db2.gz GUYGSHHZFGVEID-WCQYABFASA-N 0 1 295.814 2.577 20 30 CFEDMN C=C(Cl)CN[C@H]1C[C@H](C)N(C(=O)c2cc(C)[nH]c2C)C1 ZINC000989494403 620378304 /nfs/dbraw/zinc/37/83/04/620378304.db2.gz GUYGSHHZFGVEID-AAEUAGOBSA-N 0 1 295.814 2.577 20 30 CFEDMN C=C(C)CN1CCCN(C(=O)c2c(F)cccc2F)CC1 ZINC000989551804 620381260 /nfs/dbraw/zinc/38/12/60/620381260.db2.gz DHTIEVHDYYCKPZ-UHFFFAOYSA-N 0 1 294.345 2.689 20 30 CFEDMN C=C(C)CN1CCCN(C(=O)c2ccc(C(F)F)o2)CC1 ZINC000989571854 620382289 /nfs/dbraw/zinc/38/22/89/620382289.db2.gz DFDNOHVIKHHZAD-UHFFFAOYSA-N 0 1 298.333 2.941 20 30 CFEDMN C=CCN1CCCN(C(=O)c2ccc(C)cc2C)CC1 ZINC000989592466 620382471 /nfs/dbraw/zinc/38/24/71/620382471.db2.gz YUNPJSKNHHCVCR-UHFFFAOYSA-N 0 1 272.392 2.637 20 30 CFEDMN C=CCN1CCCN(C(=O)[C@@]2(C)CC=C(C)CC2)CC1 ZINC000989713382 620387537 /nfs/dbraw/zinc/38/75/37/620387537.db2.gz VROXKOGZEJDKJY-KRWDZBQOSA-N 0 1 276.424 2.843 20 30 CFEDMN C#CCC[N@@H+]1CCCN(C(=O)[C@]2(C)CC=C(C)CC2)CC1 ZINC000989718306 620387783 /nfs/dbraw/zinc/38/77/83/620387783.db2.gz SVOGOVOSYDEQIC-GOSISDBHSA-N 0 1 288.435 2.681 20 30 CFEDMN C#CCCN1CCCN(C(=O)[C@]2(C)CC=C(C)CC2)CC1 ZINC000989718306 620387786 /nfs/dbraw/zinc/38/77/86/620387786.db2.gz SVOGOVOSYDEQIC-GOSISDBHSA-N 0 1 288.435 2.681 20 30 CFEDMN C=CCN1CCCN(C(=O)C2C[C@@H](C)C[C@H](C)C2)CC1 ZINC000989754359 620391055 /nfs/dbraw/zinc/39/10/55/620391055.db2.gz IWYCOCJFWIBHCU-GJZGRUSLSA-N 0 1 278.440 2.779 20 30 CFEDMN C#CCCN1CCCN(C(=O)c2cccc(C3CC3)c2)CC1 ZINC000989754409 620391162 /nfs/dbraw/zinc/39/11/62/620391162.db2.gz KQPAEBWLTUGQQT-UHFFFAOYSA-N 0 1 296.414 2.735 20 30 CFEDMN C=CCN1CC[C@]2(NC(=O)c3sccc3C)CCC[C@H]12 ZINC000989909181 620401157 /nfs/dbraw/zinc/40/11/57/620401157.db2.gz CZPYQYZHSPYHEQ-XJKSGUPXSA-N 0 1 290.432 2.969 20 30 CFEDMN Cc1cc(COC(=O)[C@H]2CCCN2C(C)C)ccc1C#N ZINC000923887112 620425659 /nfs/dbraw/zinc/42/56/59/620425659.db2.gz DYIUQEILXHVFQV-MRXNPFEDSA-N 0 1 286.375 2.783 20 30 CFEDMN CC(C)N1CCC[C@H]1C(=O)OCc1ccc(CC#N)cc1 ZINC000923889729 620442208 /nfs/dbraw/zinc/44/22/08/620442208.db2.gz VRVANZMTLBXSDG-INIZCTEOSA-N 0 1 286.375 2.669 20 30 CFEDMN CC(C)N1CCC[C@@H]1C(=O)OCC1CCC(C#N)CC1 ZINC000923891613 620443805 /nfs/dbraw/zinc/44/38/05/620443805.db2.gz OYCZVZVRYCXIHB-YMAMQOFZSA-N 0 1 278.396 2.732 20 30 CFEDMN C=CCCn1cc(CNC2(C)C(C)(C)C2(C)C)nn1 ZINC000898414464 620460387 /nfs/dbraw/zinc/46/03/87/620460387.db2.gz PMGZWVIDBPJKAU-UHFFFAOYSA-N 0 1 262.401 2.769 20 30 CFEDMN CC(C)[C@H](/N=C\c1cc(Cl)cc(Cl)c1O)C(N)=O ZINC000899233429 620534497 /nfs/dbraw/zinc/53/44/97/620534497.db2.gz IKBNDCWVMCHXQI-ZJMGYTEZSA-N 0 1 289.162 2.628 20 30 CFEDMN C#CC[C@@H]1C(=O)N(c2ccc(OC(F)(F)F)cc2)N=C1C ZINC000899347361 620547534 /nfs/dbraw/zinc/54/75/34/620547534.db2.gz REKFETIISDFYQL-LBPRGKRZSA-N 0 1 296.248 2.947 20 30 CFEDMN C#CCc1c(C)[nH]n(-c2ccc(OC(F)(F)F)cc2)c1=O ZINC000899347361 620547536 /nfs/dbraw/zinc/54/75/36/620547536.db2.gz REKFETIISDFYQL-LBPRGKRZSA-N 0 1 296.248 2.947 20 30 CFEDMN CC(C)N(Cc1cn(-c2ccc(C#N)cc2)nn1)C(C)C ZINC000899711764 620593971 /nfs/dbraw/zinc/59/39/71/620593971.db2.gz KKLDXBDIFNLUDI-UHFFFAOYSA-N 0 1 283.379 2.758 20 30 CFEDMN CC1(C)CCC[C@H](C(=O)C(C#N)C(=O)Nc2ccccn2)C1 ZINC000179386359 620861701 /nfs/dbraw/zinc/86/17/01/620861701.db2.gz BBRSFQGUUOSNIO-QWHCGFSZSA-N 0 1 299.374 2.945 20 30 CFEDMN CC1(C)CCC[C@@H](C(=O)C(C#N)C(=O)Nc2ccccn2)C1 ZINC000179386367 620861954 /nfs/dbraw/zinc/86/19/54/620861954.db2.gz BBRSFQGUUOSNIO-CHWSQXEVSA-N 0 1 299.374 2.945 20 30 CFEDMN C=CC[N@@H+](CC(=O)[O-])C[C@@H](C)c1cc(F)cc(F)c1 ZINC000901586234 620862702 /nfs/dbraw/zinc/86/27/02/620862702.db2.gz MBOPMCKHLMZRFU-SNVBAGLBSA-N 0 1 269.291 2.641 20 30 CFEDMN C=CC[N@@H+](CC(=O)[O-])Cc1ccc(C(C)C)c([N+](=O)[O-])c1 ZINC000901586569 620862728 /nfs/dbraw/zinc/86/27/28/620862728.db2.gz NYLMNAHIVITZMY-UHFFFAOYSA-N 0 1 292.335 2.791 20 30 CFEDMN C=CC[N@H+](CC(=O)[O-])Cc1cc2c(cccc2C)[nH]1 ZINC000901585297 620869981 /nfs/dbraw/zinc/86/99/81/620869981.db2.gz CTUSWTPMZFFEJT-UHFFFAOYSA-N 0 1 258.321 2.549 20 30 CFEDMN C=CC[N@@H+](CC(=O)[O-])Cc1cc2c(cccc2C)[nH]1 ZINC000901585297 620869985 /nfs/dbraw/zinc/86/99/85/620869985.db2.gz CTUSWTPMZFFEJT-UHFFFAOYSA-N 0 1 258.321 2.549 20 30 CFEDMN C#CCCCCCC[N@@H+]1CCC[C@@](C)(C(=O)[O-])C1 ZINC000901695296 620897447 /nfs/dbraw/zinc/89/74/47/620897447.db2.gz JWXPVJPBPJEWIS-OAHLLOKOSA-N 0 1 251.370 2.757 20 30 CFEDMN C#CCCCCCC[N@@H+]1C[C@@H]2CCC[C@H]2[C@H]1C(=O)[O-] ZINC000902012905 620958070 /nfs/dbraw/zinc/95/80/70/620958070.db2.gz SCWRLCYNXLIEID-ZNMIVQPWSA-N 0 1 263.381 2.755 20 30 CFEDMN C=CCOc1cccc(C[N@@H+]2CC[C@@H](C)C[C@@H]2C(=O)[O-])c1 ZINC000902014419 620958867 /nfs/dbraw/zinc/95/88/67/620958867.db2.gz FKIITGJTBUXSFC-CZUORRHYSA-N 0 1 289.375 2.937 20 30 CFEDMN C=CCOc1ccc(C[N@@H+]2CC[C@H](C)C[C@H]2C(=O)[O-])cc1 ZINC000902014839 620958964 /nfs/dbraw/zinc/95/89/64/620958964.db2.gz GZEHJCUVVHZMAL-BBRMVZONSA-N 0 1 289.375 2.937 20 30 CFEDMN C=CCCCCCN(C)CN1C[C@@H]([C@H]2CCCO2)CC1=O ZINC000902155852 620988656 /nfs/dbraw/zinc/98/86/56/620988656.db2.gz BYIOAQLNRXNYFD-JKSUJKDBSA-N 0 1 294.439 2.650 20 30 CFEDMN C=CC[C@@H]1CC[N@H+](Cc2ccc(O[C@H](C)C(=O)[O-])cc2)C1 ZINC000902489761 621113184 /nfs/dbraw/zinc/11/31/84/621113184.db2.gz OJAXIZIKUHVGII-ZIAGYGMSSA-N 0 1 289.375 2.937 20 30 CFEDMN C=CC[N@H+](Cc1ccc(O[C@@H](C)C(=O)[O-])cc1)C1CC1 ZINC000902529409 621118496 /nfs/dbraw/zinc/11/84/96/621118496.db2.gz XBDUBAHQCXEJLL-LBPRGKRZSA-N 0 1 275.348 2.689 20 30 CFEDMN C=CCCCN(CC)CN1C(=O)[C@@H](C2CC2)[C@H]1C1CC1 ZINC000902668445 621148555 /nfs/dbraw/zinc/14/85/55/621148555.db2.gz ARYUZAVOCDRZRU-JKSUJKDBSA-N 0 1 276.424 2.879 20 30 CFEDMN C[C@@H](C#N)OCCN1CC[C@H](Oc2ccccc2Cl)C1 ZINC000801933801 621173616 /nfs/dbraw/zinc/17/36/16/621173616.db2.gz GELZIULNLXHCQY-STQMWFEESA-N 0 1 294.782 2.722 20 30 CFEDMN C[C@H](NCCOCc1ccccc1)c1cc(C#N)ccn1 ZINC000902831459 621186378 /nfs/dbraw/zinc/18/63/78/621186378.db2.gz ZAOCGQPGRCATSG-AWEZNQCLSA-N 0 1 281.359 2.821 20 30 CFEDMN CO[C@H]1c2ccccc2C[C@H]1N[C@@H](C)c1cc(C#N)ccn1 ZINC000903019069 621223098 /nfs/dbraw/zinc/22/30/98/621223098.db2.gz JNLNZRRIPFJWEW-RZAIGCCYSA-N 0 1 293.370 2.916 20 30 CFEDMN C=CCC[C@H](NCc1nonc1C)[C@@]1(C)CCCCO1 ZINC000903086253 621247332 /nfs/dbraw/zinc/24/73/32/621247332.db2.gz FAZIQAWOEHMQBC-LSDHHAIUSA-N 0 1 279.384 2.762 20 30 CFEDMN C#CCOc1ccc([C@@H](C)NCC(C)(C)C#N)cc1 ZINC000903100253 621252577 /nfs/dbraw/zinc/25/25/77/621252577.db2.gz LODDRUNZYPCGIX-CYBMUJFWSA-N 0 1 256.349 2.899 20 30 CFEDMN C[C@H](NCC1(C#N)CC1)[C@H]1COc2ccccc2C1 ZINC000903108948 621255894 /nfs/dbraw/zinc/25/58/94/621255894.db2.gz ITAKOFMCOKGPHN-GXTWGEPZSA-N 0 1 256.349 2.520 20 30 CFEDMN C[C@@H](NCC1(C#N)CC1)[C@@H]1COc2ccccc2C1 ZINC000903108950 621256263 /nfs/dbraw/zinc/25/62/63/621256263.db2.gz ITAKOFMCOKGPHN-OCCSQVGLSA-N 0 1 256.349 2.520 20 30 CFEDMN CC[C@@H](NCc1cn(C)nc1OC)c1ccc(C#N)cc1 ZINC000903339249 621334839 /nfs/dbraw/zinc/33/48/39/621334839.db2.gz XFLZMYKQKLXQSP-OAHLLOKOSA-N 0 1 284.363 2.541 20 30 CFEDMN Cc1cc(C#N)cc(C)c1C[N@@H+](CC(=O)[O-])C1CCC1 ZINC000903408485 621364120 /nfs/dbraw/zinc/36/41/20/621364120.db2.gz JIODROWPPGYYLN-UHFFFAOYSA-N 0 1 272.348 2.614 20 30 CFEDMN Cc1cc(C#N)cc(C)c1C[N@@H+]1CC[C@H](C)[C@H](C(=O)[O-])C1 ZINC000903409543 621364747 /nfs/dbraw/zinc/36/47/47/621364747.db2.gz ZGBQATBLXYJJOK-MEDUHNTESA-N 0 1 286.375 2.718 20 30 CFEDMN C=CC[C@@H](C)[N@H+]1CC[C@](C(=O)[O-])(c2ccccc2)C1 ZINC000903604559 621400977 /nfs/dbraw/zinc/40/09/77/621400977.db2.gz ZSFYSEUAIBDKLC-CZUORRHYSA-N 0 1 259.349 2.679 20 30 CFEDMN C=CCCCS(=O)(=O)Nc1cccc2ocnc21 ZINC000903657194 621415149 /nfs/dbraw/zinc/41/51/49/621415149.db2.gz XWYWPSGLYAKDRK-UHFFFAOYSA-N 0 1 266.322 2.536 20 30 CFEDMN C=CC[C@H]1CCC[N@H+](CCC2(C(=O)[O-])CCC2)C1 ZINC000903703054 621421820 /nfs/dbraw/zinc/42/18/20/621421820.db2.gz PPALZFQDTXULLV-ZDUSSCGKSA-N 0 1 251.370 2.920 20 30 CFEDMN N#Cc1cccc2c1C[N@H+](CCC1(C(=O)[O-])CCC1)C2 ZINC000903703261 621422250 /nfs/dbraw/zinc/42/22/50/621422250.db2.gz WXHVDBNFXQBSAB-UHFFFAOYSA-N 0 1 270.332 2.519 20 30 CFEDMN N#Cc1cccc2c1C[N@@H+](CCC1(C(=O)[O-])CCC1)C2 ZINC000903703261 621422252 /nfs/dbraw/zinc/42/22/52/621422252.db2.gz WXHVDBNFXQBSAB-UHFFFAOYSA-N 0 1 270.332 2.519 20 30 CFEDMN C=C(C)CC[N@H+]1CC[C@@H](c2ncc(C(=O)[O-])s2)C1 ZINC000903925419 621474490 /nfs/dbraw/zinc/47/44/90/621474490.db2.gz VJCUTQFNXTYKAG-SNVBAGLBSA-N 0 1 266.366 2.597 20 30 CFEDMN O=C(c1cn[nH]c1C1CC1)N(O)Cc1ccccc1Cl ZINC000904189797 621545893 /nfs/dbraw/zinc/54/58/93/621545893.db2.gz AFYINTHFDGHYAY-UHFFFAOYSA-N 0 1 291.738 2.972 20 30 CFEDMN CCOCc1nc(C)cc(NN=C(C)c2cncs2)n1 ZINC000905504825 621783205 /nfs/dbraw/zinc/78/32/05/621783205.db2.gz NZXLHWJCDPBSDI-UHFFFAOYSA-N 0 1 291.380 2.614 20 30 CFEDMN C[C@@]1(CNC[C@H](C#N)CCC#N)OCCc2ccccc21 ZINC000905801933 621867086 /nfs/dbraw/zinc/86/70/86/621867086.db2.gz NLZMITRSQMZRIJ-YOEHRIQHSA-N 0 1 283.375 2.508 20 30 CFEDMN CC1(CC(F)(F)F)CN(C[C@@H](O)CC2(C#N)CCC2)C1 ZINC000905953990 621911225 /nfs/dbraw/zinc/91/12/25/621911225.db2.gz AUNQQMCOXXKZNV-NSHDSACASA-N 0 1 290.329 2.706 20 30 CFEDMN N#Cc1cccc(-c2cnc([C@H]3CCCCN3)nc2)c1 ZINC000906163969 621951035 /nfs/dbraw/zinc/95/10/35/621951035.db2.gz ICSYZCJZXDHZDX-OAHLLOKOSA-N 0 1 264.332 2.830 20 30 CFEDMN CCc1nc[nH]c1C(=O)Nc1cc(C#N)ccc1OC(C)C ZINC000906384811 621984173 /nfs/dbraw/zinc/98/41/73/621984173.db2.gz COEWBTQWCUXBMM-UHFFFAOYSA-N 0 1 298.346 2.883 20 30 CFEDMN Cc1cc(C[C@H](C)NC(=O)c2cc(C)c(C#N)c(C)c2)n[nH]1 ZINC000907054693 622080566 /nfs/dbraw/zinc/08/05/66/622080566.db2.gz HUSWGKUQQWUSSG-LBPRGKRZSA-N 0 1 296.374 2.568 20 30 CFEDMN CCn1nc(C2CC2)cc1C(=O)Nc1cc(C#N)ccc1O ZINC000907144706 622090646 /nfs/dbraw/zinc/09/06/46/622090646.db2.gz KLEZLZQBIVLDAR-UHFFFAOYSA-N 0 1 296.330 2.610 20 30 CFEDMN Cc1cc(Br)cc(CNC[C@H](C)C#N)c1O ZINC000183814668 625544547 /nfs/dbraw/zinc/54/45/47/625544547.db2.gz CVARLZPUIYIHCN-MRVPVSSYSA-N 0 1 283.169 2.712 20 30 CFEDMN C=C(C)[C@@H]1OCC[C@@H]1C(=O)Nc1nc2ccc(F)cc2[nH]1 ZINC000907808405 622166094 /nfs/dbraw/zinc/16/60/94/622166094.db2.gz RKLXQAPRQNVCLC-GWCFXTLKSA-N 0 1 289.310 2.622 20 30 CFEDMN CC(C)[C@@H](C(=O)OCCCCC1(C#N)CCC1)N(C)C ZINC000909254995 622332947 /nfs/dbraw/zinc/33/29/47/622332947.db2.gz FMLBWNDVDZWWBH-AWEZNQCLSA-N 0 1 280.412 2.980 20 30 CFEDMN C#CCN(Cc1ccccc1[N+](=O)[O-])C1CCCC1 ZINC000155834037 622468698 /nfs/dbraw/zinc/46/86/98/622468698.db2.gz MVPAPLAOYVLKAH-UHFFFAOYSA-N 0 1 258.321 2.973 20 30 CFEDMN C#CCN(C[C@H](O)c1c(F)cccc1F)C1CCCC1 ZINC000155875212 622496071 /nfs/dbraw/zinc/49/60/71/622496071.db2.gz WGGFKHWJFWOJQP-HNNXBMFYSA-N 0 1 279.330 2.876 20 30 CFEDMN C[C@@H]1CC(N=Nc2cc(Cl)nc(Cl)c2)c2ncnn21 ZINC000819828381 622564897 /nfs/dbraw/zinc/56/48/97/622564897.db2.gz AXQCSWUHDZYNEE-ZCFIWIBFSA-N 0 1 297.149 2.761 20 30 CFEDMN CC(C)c1nc([C@@H]2CCCCN2c2ccnc(C#N)c2)n[nH]1 ZINC000912160089 622659427 /nfs/dbraw/zinc/65/94/27/622659427.db2.gz GVDABSYOVJPQHG-AWEZNQCLSA-N 0 1 296.378 2.926 20 30 CFEDMN Cc1cc(C(=O)NC[C@H]2CC[N@H+]2C(C)(C)C)cc(C)c1C#N ZINC000912284387 622675359 /nfs/dbraw/zinc/67/53/59/622675359.db2.gz QYSRRCMVCNFCDW-OAHLLOKOSA-N 0 1 299.418 2.778 20 30 CFEDMN Oc1cccc(CN=Nc2nc3cc(F)c(F)cc3[nH]2)c1 ZINC000912825271 622781642 /nfs/dbraw/zinc/78/16/42/622781642.db2.gz OSBFGIQSHKXOHQ-UHFFFAOYSA-N 0 1 288.257 2.993 20 30 CFEDMN C=CC[C@@H]1CCN(C(=O)[C@H]2C[C@H](C)Cc3c[nH]nc32)C1 ZINC000912982588 622812225 /nfs/dbraw/zinc/81/22/25/622812225.db2.gz LZVFPDFGRCWOMP-BZPMIXESSA-N 0 1 273.380 2.500 20 30 CFEDMN C=CC(C)(C)C(=O)Nc1ccc(N2CCN(C)CC2)cc1 ZINC000822220749 623059969 /nfs/dbraw/zinc/05/99/69/623059969.db2.gz FYBZLMKYOYAERW-UHFFFAOYSA-N 0 1 287.407 2.589 20 30 CFEDMN C#CC[N@@H+](Cc1ccc(F)cc1)C[C@@H](OC)C1CC1 ZINC000822588548 623131663 /nfs/dbraw/zinc/13/16/63/623131663.db2.gz VYPISYCHAMEDRL-MRXNPFEDSA-N 0 1 261.340 2.686 20 30 CFEDMN C#CCN(Cc1ccc(F)cc1)C[C@@H](OC)C1CC1 ZINC000822588548 623131665 /nfs/dbraw/zinc/13/16/65/623131665.db2.gz VYPISYCHAMEDRL-MRXNPFEDSA-N 0 1 261.340 2.686 20 30 CFEDMN C#CCO[C@@H](C)C(=O)Nc1ccc2nc(CCCC)[nH]c2c1 ZINC000822823303 623182991 /nfs/dbraw/zinc/18/29/91/623182991.db2.gz FJLRJNLLXWHGIR-LBPRGKRZSA-N 0 1 299.374 2.882 20 30 CFEDMN CCCCCNC(=O)C(C#N)C(=O)C1CCCCCC1 ZINC000171328438 623217139 /nfs/dbraw/zinc/21/71/39/623217139.db2.gz DKWHMBLSZCIWBF-CQSZACIVSA-N 0 1 278.396 2.972 20 30 CFEDMN CCS[C@@H](C(=O)C(C#N)C(=O)NC1CCCC1)C(C)C ZINC000171367059 623219706 /nfs/dbraw/zinc/21/97/06/623219706.db2.gz XKABEZPWJDUHST-TZMCWYRMSA-N 0 1 296.436 2.532 20 30 CFEDMN C#C[C@H](CC)NCc1cc2c(cc1OC)C[C@@H](C)O2 ZINC000229895286 623231381 /nfs/dbraw/zinc/23/13/81/623231381.db2.gz CQYGIKWGJMUYIS-BXUZGUMPSA-N 0 1 259.349 2.520 20 30 CFEDMN COc1cccc(NC(=O)C(C#N)C(=O)[C@@H](C)C(C)C)c1 ZINC000172020547 623253919 /nfs/dbraw/zinc/25/39/19/623253919.db2.gz XDTYTJJVBZPISJ-FZMZJTMJSA-N 0 1 288.347 2.635 20 30 CFEDMN Cc1cccc(NC(=O)C(C#N)C(=O)[C@@H](C)C(C)C)c1 ZINC000172020661 623254302 /nfs/dbraw/zinc/25/43/02/623254302.db2.gz BKPVEHUBAVSZEP-JSGCOSHPSA-N 0 1 272.348 2.935 20 30 CFEDMN CCCCCCCCNCc1nccnc1OC ZINC000823602630 623358300 /nfs/dbraw/zinc/35/83/00/623358300.db2.gz PMCGNLJBBFZQAT-UHFFFAOYSA-N 0 1 251.374 2.935 20 30 CFEDMN CCOC(CN(C)[C@@H](C)c1cccc(C#N)c1)OCC ZINC000823617748 623363667 /nfs/dbraw/zinc/36/36/67/623363667.db2.gz MEJHPMSLALITOB-ZDUSSCGKSA-N 0 1 276.380 2.950 20 30 CFEDMN C#CCN1CC[C@]2(NC(=O)c3ccoc3C3CC3)CCC[C@H]12 ZINC000992140486 623466545 /nfs/dbraw/zinc/46/65/45/623466545.db2.gz WDCLRSYHANFJLF-MAUKXSAKSA-N 0 1 298.386 2.517 20 30 CFEDMN CC(C)CN(CCC#N)C(=O)c1cc2[nH]cnc2cc1F ZINC000824234239 623473019 /nfs/dbraw/zinc/47/30/19/623473019.db2.gz GSGMYFXLGYTFEA-UHFFFAOYSA-N 0 1 288.326 2.714 20 30 CFEDMN C#C[C@H](C)N(C)Cc1ccc2c(c1)OCCCCO2 ZINC000824296671 623486153 /nfs/dbraw/zinc/48/61/53/623486153.db2.gz IHLBEYDSXVMEID-ZDUSSCGKSA-N 0 1 259.349 2.692 20 30 CFEDMN C#CCN1CC[C@]2(NC(=O)c3ccc(C=C)cc3)CCC[C@@H]12 ZINC000992284573 623505653 /nfs/dbraw/zinc/50/56/53/623505653.db2.gz OVMGGGARZMEXOL-IEBWSBKVSA-N 0 1 294.398 2.690 20 30 CFEDMN C=C(Cl)CN[C@H]1CN(C(=O)CC(C)C)CC1(C)C ZINC000995348694 625650021 /nfs/dbraw/zinc/65/00/21/625650021.db2.gz ASMLSTVADOPYQV-LBPRGKRZSA-N 0 1 272.820 2.612 20 30 CFEDMN CN(CCC#N)c1ccc(CN2CC[C@H](F)C2)cc1 ZINC000824570268 623524835 /nfs/dbraw/zinc/52/48/35/623524835.db2.gz ADYIQQXLFZIFCF-AWEZNQCLSA-N 0 1 261.344 2.580 20 30 CFEDMN C[C@@H]1CC[C@@H](CC(=O)[C@@H](C#N)C(=O)NC2CCCCC2)C1 ZINC000151593165 623535673 /nfs/dbraw/zinc/53/56/73/623535673.db2.gz JICIAWXMQAKCHD-UMVBOHGHSA-N 0 1 290.407 2.970 20 30 CFEDMN Cc1ccc([C@H]2C[C@H](C)CCN2C[C@H](O)CC#N)o1 ZINC000929760644 623593259 /nfs/dbraw/zinc/59/32/59/623593259.db2.gz VDRJBLRRARVPLU-MRVWCRGKSA-N 0 1 262.353 2.636 20 30 CFEDMN C=CCCC(=O)N1CCc2nc[nH]c2[C@@H]1c1ccc(F)cc1 ZINC000914032234 623677223 /nfs/dbraw/zinc/67/72/23/623677223.db2.gz UNWBZGODSBDJBZ-KRWDZBQOSA-N 0 1 299.349 2.989 20 30 CFEDMN C#C[C@H](C)[N@H+](C)Cc1ccc(Br)cc1[O-] ZINC000825710173 623745123 /nfs/dbraw/zinc/74/51/23/623745123.db2.gz HUPCXDGSTCOFSR-VIFPVBQESA-N 0 1 268.154 2.608 20 30 CFEDMN C#C[C@H](C)[N@@H+](C)Cc1ccc(Br)cc1[O-] ZINC000825710173 623745127 /nfs/dbraw/zinc/74/51/27/623745127.db2.gz HUPCXDGSTCOFSR-VIFPVBQESA-N 0 1 268.154 2.608 20 30 CFEDMN C#C[C@@H](CC)NCc1cc(F)ccc1OC(F)F ZINC000825878888 623764999 /nfs/dbraw/zinc/76/49/99/623764999.db2.gz WABKJPHGASJJJA-NSHDSACASA-N 0 1 257.255 2.929 20 30 CFEDMN N#Cc1cncc(C[N@H+]2CCS[C@@H]3CCCC[C@H]32)c1 ZINC000929818474 623796057 /nfs/dbraw/zinc/79/60/57/623796057.db2.gz XDTWYSFLNVUPAV-HUUCEWRRSA-N 0 1 273.405 2.813 20 30 CFEDMN N#Cc1cncc(CN2CCS[C@@H]3CCCC[C@H]32)c1 ZINC000929818474 623796060 /nfs/dbraw/zinc/79/60/60/623796060.db2.gz XDTWYSFLNVUPAV-HUUCEWRRSA-N 0 1 273.405 2.813 20 30 CFEDMN CC(C)C[C@@H]1C[C@H]1C(=O)Nc1cc(C#N)ccc1O ZINC000826604424 623823364 /nfs/dbraw/zinc/82/33/64/623823364.db2.gz OFOSBWNIIMDUJT-VXGBXAGGSA-N 0 1 258.321 2.885 20 30 CFEDMN CC#CCN1CCC[C@H](NC(=O)CC2CCCCC2)[C@@H]1C ZINC000992988128 623831149 /nfs/dbraw/zinc/83/11/49/623831149.db2.gz VAIKITOKBFCLFU-RDJZCZTQSA-N 0 1 290.451 2.949 20 30 CFEDMN CC#CCN1CCC[C@H](NC(=O)c2ccccc2C)[C@H]1C ZINC000992990244 623832310 /nfs/dbraw/zinc/83/23/10/623832310.db2.gz ZJXBKWLTWAAYTR-WBVHZDCISA-N 0 1 284.403 2.601 20 30 CFEDMN C=CC[N@@H+]1CCC[C@H](NC(=O)C2CCCCC2)[C@@H]1C ZINC000992987384 623834062 /nfs/dbraw/zinc/83/40/62/623834062.db2.gz NYLINTISQOPNEE-ZFWWWQNUSA-N 0 1 264.413 2.722 20 30 CFEDMN C=CCN1CCC[C@H](NC(=O)C2CCCCC2)[C@@H]1C ZINC000992987384 623834070 /nfs/dbraw/zinc/83/40/70/623834070.db2.gz NYLINTISQOPNEE-ZFWWWQNUSA-N 0 1 264.413 2.722 20 30 CFEDMN CC#CC[N@H+]1CCC[C@@H](NC(=O)C2CCCCC2)[C@@H]1C ZINC000992987595 623834287 /nfs/dbraw/zinc/83/42/87/623834287.db2.gz PPQDVJCGFHEGKW-GOEBONIOSA-N 0 1 276.424 2.559 20 30 CFEDMN CC#CCN1CCC[C@@H](NC(=O)C2CCCCC2)[C@@H]1C ZINC000992987595 623834294 /nfs/dbraw/zinc/83/42/94/623834294.db2.gz PPQDVJCGFHEGKW-GOEBONIOSA-N 0 1 276.424 2.559 20 30 CFEDMN Cc1cccc2c1OCC2=NNc1ncccc1C ZINC000814911830 623879827 /nfs/dbraw/zinc/87/98/27/623879827.db2.gz UIWOZVZROYHECV-UHFFFAOYSA-N 0 1 253.305 2.907 20 30 CFEDMN CC(C)C(=O)N[C@@H]1CCCN(Cc2ccc(C#N)cc2)[C@@H]1C ZINC000993063462 623881680 /nfs/dbraw/zinc/88/16/80/623881680.db2.gz DQMRCTIXCYDNPD-RHSMWYFYSA-N 0 1 299.418 2.683 20 30 CFEDMN C#Cc1ccc(CN2CCO[C@](C)(C3CC3)C2)cc1 ZINC000826877577 623901030 /nfs/dbraw/zinc/90/10/30/623901030.db2.gz JOFJMUOWNRIRRA-KRWDZBQOSA-N 0 1 255.361 2.669 20 30 CFEDMN C=CC1(CC(=O)N2CCC[C@H]2c2nnc[nH]2)CCCCC1 ZINC000826965621 623916017 /nfs/dbraw/zinc/91/60/17/623916017.db2.gz XIBZZHWUPHYHGT-ZDUSSCGKSA-N 0 1 288.395 2.995 20 30 CFEDMN CC#CC[N@H+]1CCC[C@@H](NC(=O)C=C2CCCCC2)[C@@H]1C ZINC000993113056 623918567 /nfs/dbraw/zinc/91/85/67/623918567.db2.gz XVAXVHXQJWKHOP-DOTOQJQBSA-N 0 1 288.435 2.869 20 30 CFEDMN CC#CCN1CCC[C@@H](NC(=O)C=C2CCCCC2)[C@@H]1C ZINC000993113056 623918572 /nfs/dbraw/zinc/91/85/72/623918572.db2.gz XVAXVHXQJWKHOP-DOTOQJQBSA-N 0 1 288.435 2.869 20 30 CFEDMN C=C(C)CN1CCC[C@@H](NC(=O)c2cnc(C)s2)[C@H]1C ZINC000993135659 623943259 /nfs/dbraw/zinc/94/32/59/623943259.db2.gz XBKBCBABUQEKJZ-DGCLKSJQSA-N 0 1 293.436 2.610 20 30 CFEDMN Oc1c(F)cc(Cl)cc1C=NOC[C@@H]1CCOC1 ZINC000788031589 623951186 /nfs/dbraw/zinc/95/11/86/623951186.db2.gz GAOLJVXYKHHNTJ-MRVPVSSYSA-N 0 1 273.691 2.572 20 30 CFEDMN C#CCCOC(=O)c1ccc(-c2nnc(C3CC3)[nH]2)cc1 ZINC000153491133 623990755 /nfs/dbraw/zinc/99/07/55/623990755.db2.gz MPBUDKAGSFUAHJ-UHFFFAOYSA-N 0 1 281.315 2.529 20 30 CFEDMN C=CCN1CCC[C@H](NC(=O)C2C(C)(C)C2(C)C)[C@@H]1C ZINC000993188174 623994518 /nfs/dbraw/zinc/99/45/18/623994518.db2.gz UKSSIHGZTOXJQZ-STQMWFEESA-N 0 1 278.440 2.824 20 30 CFEDMN C#C[C@@H]([NH2+]Cc1cc(Cl)c(C)cc1[O-])C1CCOCC1 ZINC000827555510 624029898 /nfs/dbraw/zinc/02/98/98/624029898.db2.gz VIVFOTUELWRIPC-OAHLLOKOSA-N 0 1 293.794 2.872 20 30 CFEDMN C#C[C@H](NCc1ccc(Cl)cc1F)C1CCOCC1 ZINC000827560603 624032245 /nfs/dbraw/zinc/03/22/45/624032245.db2.gz SQEWGBKRLUCYMR-HNNXBMFYSA-N 0 1 281.758 2.997 20 30 CFEDMN C#C[C@@H](NCc1ccc(OC)cc1Cl)C1CCOCC1 ZINC000827570049 624035254 /nfs/dbraw/zinc/03/52/54/624035254.db2.gz IBGLTZLFLOZOPD-MRXNPFEDSA-N 0 1 293.794 2.867 20 30 CFEDMN C#C[C@@H]([NH2+]Cc1cc(Cl)ccc1[O-])C1CCOCC1 ZINC000827570674 624036192 /nfs/dbraw/zinc/03/61/92/624036192.db2.gz PUIFLURBZGFZDL-CQSZACIVSA-N 0 1 279.767 2.564 20 30 CFEDMN C=C(C)C[N@@H+]1CCC[C@@H](NC(=O)c2csnc2C)[C@@H]1C ZINC000993217057 624044566 /nfs/dbraw/zinc/04/45/66/624044566.db2.gz HLYGGERJKZYZTQ-GXTWGEPZSA-N 0 1 293.436 2.610 20 30 CFEDMN C=C(C)CN1CCC[C@@H](NC(=O)c2csnc2C)[C@@H]1C ZINC000993217057 624044573 /nfs/dbraw/zinc/04/45/73/624044573.db2.gz HLYGGERJKZYZTQ-GXTWGEPZSA-N 0 1 293.436 2.610 20 30 CFEDMN C=CCN1CCC[C@@H](NC(=O)C(F)=C2CCCC2)[C@@H]1C ZINC000993221756 624050069 /nfs/dbraw/zinc/05/00/69/624050069.db2.gz AJHDRLWEYUTXIO-GXTWGEPZSA-N 0 1 280.387 2.939 20 30 CFEDMN C#CCCN1CCC[C@@H](NC(=O)c2cc(C)cs2)[C@@H]1C ZINC000993306470 624071904 /nfs/dbraw/zinc/07/19/04/624071904.db2.gz GAQFCCPZKLFTGR-UONOGXRCSA-N 0 1 290.432 2.663 20 30 CFEDMN C#CCOc1ccccc1CN(C)CC1=CCSC1 ZINC000827805860 624098119 /nfs/dbraw/zinc/09/81/19/624098119.db2.gz MALXSYIYWCOJMY-UHFFFAOYSA-N 0 1 273.401 2.804 20 30 CFEDMN C=CCN1CCC[C@@H](NC(=O)c2cccc(F)c2C)[C@H]1C ZINC000993365324 624123339 /nfs/dbraw/zinc/12/33/39/624123339.db2.gz SSLWFMLXSDEROE-CZUORRHYSA-N 0 1 290.382 2.903 20 30 CFEDMN C=CCN1CCC[C@@H](NC(=O)c2cc(F)ccc2F)[C@H]1C ZINC000993453560 624146272 /nfs/dbraw/zinc/14/62/72/624146272.db2.gz ZHRLMVIPZINYIN-IAQYHMDHSA-N 0 1 294.345 2.734 20 30 CFEDMN C=CCN1CCC[C@H](NC(=O)c2cc(F)ccc2F)[C@@H]1C ZINC000993453568 624146392 /nfs/dbraw/zinc/14/63/92/624146392.db2.gz ZHRLMVIPZINYIN-NHYWBVRUSA-N 0 1 294.345 2.734 20 30 CFEDMN C=CCN1CCC[C@@H](NC(=O)c2nc(C)sc2C)[C@@H]1C ZINC000993503968 624148159 /nfs/dbraw/zinc/14/81/59/624148159.db2.gz LVTKYSYDHNDALO-GXFFZTMASA-N 0 1 293.436 2.529 20 30 CFEDMN N#C[C@H]1CNC[C@H]1NC(=O)c1ccc(C2CCCCC2)cc1 ZINC000834511843 625698709 /nfs/dbraw/zinc/69/87/09/625698709.db2.gz OXYKRANNNFMLBJ-DLBZAZTESA-N 0 1 297.402 2.576 20 30 CFEDMN C=CCN1CCC[C@H](NC(=O)c2cc3cnccc3o2)[C@@H]1C ZINC000993537295 624151022 /nfs/dbraw/zinc/15/10/22/624151022.db2.gz NCPGFPWNVYMMJH-JSGCOSHPSA-N 0 1 299.374 2.597 20 30 CFEDMN C=CCN1CCC[C@@H](NC(=O)c2cc3ncccc3o2)[C@@H]1C ZINC000993603616 624153606 /nfs/dbraw/zinc/15/36/06/624153606.db2.gz NGIANZFVQLKENJ-QWHCGFSZSA-N 0 1 299.374 2.597 20 30 CFEDMN C=C(C)CN1CC[C@H]1CN(C)C(=O)[C@H]1C[C@@H]1c1ccccc1 ZINC001085858542 782187456 /nfs/dbraw/zinc/18/74/56/782187456.db2.gz BQFCMPSPKRUUNO-KSZLIROESA-N 0 1 298.430 2.899 20 30 CFEDMN N#C[C@@H]1CNC[C@@H]1NC(=O)c1ccc(C2CCCCC2)cc1 ZINC000834511846 625699360 /nfs/dbraw/zinc/69/93/60/625699360.db2.gz OXYKRANNNFMLBJ-SJORKVTESA-N 0 1 297.402 2.576 20 30 CFEDMN C=CCN1CCC[C@H](NC(=O)c2cccc(F)c2F)[C@@H]1C ZINC000993715961 624161223 /nfs/dbraw/zinc/16/12/23/624161223.db2.gz NDBJIJGPHNTKGY-FZMZJTMJSA-N 0 1 294.345 2.734 20 30 CFEDMN C=C(C)CN1CCC[C@H](NC(=O)c2csc(C)n2)[C@H]1C ZINC000993692884 624162379 /nfs/dbraw/zinc/16/23/79/624162379.db2.gz KAINDVCJDLLPHW-YPMHNXCESA-N 0 1 293.436 2.610 20 30 CFEDMN C=CCN1CCC[C@@H](NC(=O)C2Cc3ccccc3C2)[C@H]1C ZINC000993881431 624172596 /nfs/dbraw/zinc/17/25/96/624172596.db2.gz VRROWMNCEPCBFC-RDTXWAMCSA-N 0 1 298.430 2.557 20 30 CFEDMN C=CCN1CCC[C@H](NC(=O)c2cc(C(C)C)no2)[C@@H]1C ZINC000993931138 624174161 /nfs/dbraw/zinc/17/41/61/624174161.db2.gz RYZSTOBMSYIGCK-STQMWFEESA-N 0 1 291.395 2.567 20 30 CFEDMN C=CCN1CCC[C@H](NC(=O)c2cnoc2C(C)C)[C@@H]1C ZINC000994134516 624179949 /nfs/dbraw/zinc/17/99/49/624179949.db2.gz PHJKDJMTTOSRPV-JSGCOSHPSA-N 0 1 291.395 2.567 20 30 CFEDMN CC(=NNc1nc2ccccc2n1C)c1cccnc1 ZINC000915967052 624196087 /nfs/dbraw/zinc/19/60/87/624196087.db2.gz AVOLUKYGIPGIET-UHFFFAOYSA-N 0 1 265.320 2.804 20 30 CFEDMN CC(=NNc1cc(C)nc(C)n1)c1scnc1C ZINC000915970893 624197368 /nfs/dbraw/zinc/19/73/68/624197368.db2.gz RNFPSLVTSMAYJK-UHFFFAOYSA-N 0 1 261.354 2.694 20 30 CFEDMN C#CCN1CCC[C@H](NC(=O)[C@H]2CC[C@H](CC)CC2)[C@@H]1C ZINC000994250701 624231016 /nfs/dbraw/zinc/23/10/16/624231016.db2.gz KYPUPDQXKAOTIT-QAETUUGQSA-N 0 1 290.451 2.805 20 30 CFEDMN Cc1nc(C=NNc2ccccc2[N+](=O)[O-])cs1 ZINC000916249514 624231923 /nfs/dbraw/zinc/23/19/23/624231923.db2.gz UQDQMUGWDRYROW-UHFFFAOYSA-N 0 1 262.294 2.806 20 30 CFEDMN CC(C)[C@@H](NCc1ccncc1C#N)[C@H](O)c1ccccc1 ZINC000828515917 624260165 /nfs/dbraw/zinc/26/01/65/624260165.db2.gz LSWUBGZRBSBTDP-QZTJIDSGSA-N 0 1 295.386 2.801 20 30 CFEDMN C#CCCN1CCN(Cc2cccc(OCCC)c2)CC1 ZINC000828519369 624261049 /nfs/dbraw/zinc/26/10/49/624261049.db2.gz NVSNLIASDWDMQD-UHFFFAOYSA-N 0 1 286.419 2.616 20 30 CFEDMN CC#CCN1CCC[C@H](NC(=O)c2ccc(C)cc2)[C@H]1C ZINC000994289667 624274363 /nfs/dbraw/zinc/27/43/63/624274363.db2.gz SHMXXIXVPZWNBA-WBVHZDCISA-N 0 1 284.403 2.601 20 30 CFEDMN CC#CCN1CCC[C@H](NC(=O)c2cccc(C)c2C)[C@H]1C ZINC000994327958 624276261 /nfs/dbraw/zinc/27/62/61/624276261.db2.gz MFKXODTYRYHMTJ-AEFFLSMTSA-N 0 1 298.430 2.909 20 30 CFEDMN N#CCOc1ccc(CNCc2ccc(Cl)nc2)cc1 ZINC000916836794 624287547 /nfs/dbraw/zinc/28/75/47/624287547.db2.gz NFJPZVLYQZIEBO-UHFFFAOYSA-N 0 1 287.750 2.927 20 30 CFEDMN C=CCN(CC(=O)N1[C@H](C)CCC[C@@H]1C)C(C)C ZINC000917070357 624306911 /nfs/dbraw/zinc/30/69/11/624306911.db2.gz AOUNNSJMAPJMIM-OKILXGFUSA-N 0 1 252.402 2.672 20 30 CFEDMN Cc1ncc(C=NNc2nnc(-c3ccccc3)n2C)s1 ZINC000917549121 624358015 /nfs/dbraw/zinc/35/80/15/624358015.db2.gz WPCUCKPWQXKYRT-UHFFFAOYSA-N 0 1 298.375 2.693 20 30 CFEDMN CC[C@H]1C[N@@H+](CC)CCN1c1nc(Cl)c(C#N)s1 ZINC000829126229 624378786 /nfs/dbraw/zinc/37/87/86/624378786.db2.gz DZLPCCBUUNDZAK-VIFPVBQESA-N 0 1 284.816 2.589 20 30 CFEDMN CC[C@H]1CN(CC)CCN1c1nc(Cl)c(C#N)s1 ZINC000829126229 624378789 /nfs/dbraw/zinc/37/87/89/624378789.db2.gz DZLPCCBUUNDZAK-VIFPVBQESA-N 0 1 284.816 2.589 20 30 CFEDMN CCCCCCCCN1CCC[C@@H]1c1nc(=N)n(C)[nH]1 ZINC000829459117 624437617 /nfs/dbraw/zinc/43/76/17/624437617.db2.gz LHCZOFZEGWTXST-CYBMUJFWSA-N 0 1 279.432 2.725 20 30 CFEDMN CCCc1ccc(C(=O)N=C2C[C@H](C)ON2)s1 ZINC000867062426 624444671 /nfs/dbraw/zinc/44/46/71/624444671.db2.gz AHAWFEALIGXSLH-QMMMGPOBSA-N 0 1 252.339 2.553 20 30 CFEDMN CCCc1ccc(C(=O)N=C2C[C@@H](C)ON2)s1 ZINC000867062425 624444755 /nfs/dbraw/zinc/44/47/55/624444755.db2.gz AHAWFEALIGXSLH-MRVPVSSYSA-N 0 1 252.339 2.553 20 30 CFEDMN CC(C)C#CC(=O)N1CCN(Cc2ccccc2)CC[C@H]1C ZINC000829498690 624445284 /nfs/dbraw/zinc/44/52/84/624445284.db2.gz DLGSPRZCQSYBHG-QGZVFWFLSA-N 0 1 298.430 2.769 20 30 CFEDMN C#CC[C@@H]1CCCN(Cc2ccsc2C(=O)OC)C1 ZINC000829784688 624536443 /nfs/dbraw/zinc/53/64/43/624536443.db2.gz LPDAPPWLBRSLBB-GFCCVEGCSA-N 0 1 277.389 2.770 20 30 CFEDMN C#CC[C@@H]1CCC[N@H+](Cc2cc(=O)oc3cc(O)ccc23)C1 ZINC000829789016 624538148 /nfs/dbraw/zinc/53/81/48/624538148.db2.gz LWAROGXNHFZQTB-CYBMUJFWSA-N 0 1 297.354 2.734 20 30 CFEDMN C#CC[C@@H]1CCC[N@@H+](Cc2cc(=O)oc3cc([O-])ccc23)C1 ZINC000829789016 624538149 /nfs/dbraw/zinc/53/81/49/624538149.db2.gz LWAROGXNHFZQTB-CYBMUJFWSA-N 0 1 297.354 2.734 20 30 CFEDMN C#CC[C@@H]1CCC[N@H+](Cc2cc(=O)oc3cc([O-])ccc23)C1 ZINC000829789016 624538150 /nfs/dbraw/zinc/53/81/50/624538150.db2.gz LWAROGXNHFZQTB-CYBMUJFWSA-N 0 1 297.354 2.734 20 30 CFEDMN C#CC[C@H]1CCCN(CC(=O)Nc2ccc(C)cc2)C1 ZINC000829785741 624538368 /nfs/dbraw/zinc/53/83/68/624538368.db2.gz YUSINXKTDUXWMY-HNNXBMFYSA-N 0 1 270.376 2.669 20 30 CFEDMN CCC[C@@H](C)C(=O)OCC(=O)[C@H](C#N)c1nc(C)cs1 ZINC000919231867 624538699 /nfs/dbraw/zinc/53/86/99/624538699.db2.gz ZMQCMKHYQFEPEC-KOLCDFICSA-N 0 1 294.376 2.607 20 30 CFEDMN CCC[C@@H](C)C(=O)OCC(=O)C(C#N)c1nc(C)cs1 ZINC000919231867 624538703 /nfs/dbraw/zinc/53/87/03/624538703.db2.gz ZMQCMKHYQFEPEC-KOLCDFICSA-N 0 1 294.376 2.607 20 30 CFEDMN CCC/C=C/C(=O)OCC(=O)[C@@H](C#N)c1nc(C)cs1 ZINC000919241716 624545321 /nfs/dbraw/zinc/54/53/21/624545321.db2.gz CWTKIEIXVZMMGU-MVIFTORASA-N 0 1 292.360 2.527 20 30 CFEDMN CCC/C=C/C(=O)OCC(=O)C(C#N)c1nc(C)cs1 ZINC000919241716 624545324 /nfs/dbraw/zinc/54/53/24/624545324.db2.gz CWTKIEIXVZMMGU-MVIFTORASA-N 0 1 292.360 2.527 20 30 CFEDMN CCOC(=O)[C@@H](C)/N=C/c1ccc(N(CC)CC)cc1O ZINC000920172875 624695617 /nfs/dbraw/zinc/69/56/17/624695617.db2.gz LYASGCZAPWEECN-PBSOMRJOSA-N 0 1 292.379 2.609 20 30 CFEDMN C#CC1CCN(CC(=O)N(c2ccccc2)C(C)C)CC1 ZINC000830302067 624703517 /nfs/dbraw/zinc/70/35/17/624703517.db2.gz ZVLHLVQNKRHJFF-UHFFFAOYSA-N 0 1 284.403 2.773 20 30 CFEDMN C#CC1CCN([C@H](C)C(=O)Nc2cccc(C)c2C)CC1 ZINC000830305824 624704511 /nfs/dbraw/zinc/70/45/11/624704511.db2.gz VZJDAAOPFSTIQL-OAHLLOKOSA-N 0 1 284.403 2.976 20 30 CFEDMN C#CC1CCN([C@H](C)C(=O)Nc2cccc(C)c2)CC1 ZINC000830305409 624704520 /nfs/dbraw/zinc/70/45/20/624704520.db2.gz NHAVVZVZHJYGJX-CQSZACIVSA-N 0 1 270.376 2.667 20 30 CFEDMN C#CC1CCN([C@H](C)C(=O)Nc2ccccc2C)CC1 ZINC000830306007 624704881 /nfs/dbraw/zinc/70/48/81/624704881.db2.gz ZMQFBZZUZBWGLY-CQSZACIVSA-N 0 1 270.376 2.667 20 30 CFEDMN C#CC1CCN(CC(=O)N[C@@H]2CCCc3ccccc32)CC1 ZINC000830316207 624706436 /nfs/dbraw/zinc/70/64/36/624706436.db2.gz IPEZZUZHMLXFOO-GOSISDBHSA-N 0 1 296.414 2.525 20 30 CFEDMN C=CCSc1nc2ccccc2n1CN(C)CCOC ZINC000921047186 624804394 /nfs/dbraw/zinc/80/43/94/624804394.db2.gz TXHFMAKCFYYUNA-UHFFFAOYSA-N 0 1 291.420 2.850 20 30 CFEDMN Cn1nccc1CN=Nc1cccc(Cl)c1F ZINC000921137886 624809361 /nfs/dbraw/zinc/80/93/61/624809361.db2.gz RLAMDBKDCQJCIT-UHFFFAOYSA-N 0 1 252.680 2.659 20 30 CFEDMN C=C(C)CNC(=S)NC[C@H](c1ccco1)N(CC)CC ZINC000921270644 624834204 /nfs/dbraw/zinc/83/42/04/624834204.db2.gz ZYMFLMTWIVNSIZ-CYBMUJFWSA-N 0 1 295.452 2.703 20 30 CFEDMN CCCCCCCCCN(C)[C@@H]1CCS(=O)(=O)C1 ZINC000170836073 624935237 /nfs/dbraw/zinc/93/52/37/624935237.db2.gz XFLWIMQKIRENAH-CQSZACIVSA-N 0 1 275.458 2.856 20 30 CFEDMN C#CCCCNC(=O)c1c(O)cc(Cl)cc1Cl ZINC000175257076 624940478 /nfs/dbraw/zinc/94/04/78/624940478.db2.gz XLUOYZMBMBYLAN-UHFFFAOYSA-N 0 1 272.131 2.842 20 30 CFEDMN C=C1CCC(CNC(=O)c2cn[nH]c2-c2ccccn2)CC1 ZINC000830990602 624948612 /nfs/dbraw/zinc/94/86/12/624948612.db2.gz GJANBIQCCPHVCT-UHFFFAOYSA-N 0 1 296.374 2.948 20 30 CFEDMN C=C1CCC(CNC(=O)[C@H]2CCCc3[nH]ncc32)CC1 ZINC000830997766 624949854 /nfs/dbraw/zinc/94/98/54/624949854.db2.gz ARSGFQBZRRRNDB-ZDUSSCGKSA-N 0 1 273.380 2.692 20 30 CFEDMN CN(Cc1ccc(OCC#N)cc1)Cc1ccccn1 ZINC000831027932 624954248 /nfs/dbraw/zinc/95/42/48/624954248.db2.gz AJXLSCCPOHDJQU-UHFFFAOYSA-N 0 1 267.332 2.616 20 30 CFEDMN C=C[C@@H]1OCC[C@H]1NCc1ccc(Cl)nc1Cl ZINC000831683620 625096918 /nfs/dbraw/zinc/09/69/18/625096918.db2.gz XQHXSBYDWQTCCS-ZJUUUORDSA-N 0 1 273.163 2.822 20 30 CFEDMN N#Cc1ccc([C@H](C(N)=O)N2CCCCCCCC2)cc1 ZINC000831936810 625185834 /nfs/dbraw/zinc/18/58/34/625185834.db2.gz GMLOHYFZOUEFBM-MRXNPFEDSA-N 0 1 285.391 2.741 20 30 CFEDMN CCCCCCNC(=O)C(C#N)C(=O)CCCC ZINC000069911011 625243804 /nfs/dbraw/zinc/24/38/04/625243804.db2.gz KFKSGUNPMOXMBE-GFCCVEGCSA-N 0 1 252.358 2.582 20 30 CFEDMN N#CC(C(=O)CC1CCCC1)C(=O)NCc1ccccc1 ZINC000069952705 625250379 /nfs/dbraw/zinc/25/03/79/625250379.db2.gz LIIRESOXZYYVNW-HNNXBMFYSA-N 0 1 284.359 2.592 20 30 CFEDMN C=C(Cl)CN[C@H]1CN(C(=O)[C@@H](C)C2CC2)CC1(C)C ZINC000995623239 625746060 /nfs/dbraw/zinc/74/60/60/625746060.db2.gz MVJPUXGRCABKLY-AAEUAGOBSA-N 0 1 284.831 2.612 20 30 CFEDMN C=CC(C)(C)C(=O)N1C[C@H](NCC(=C)Cl)C(C)(C)C1 ZINC000996138602 625875029 /nfs/dbraw/zinc/87/50/29/625875029.db2.gz PODSHENNJDDRLI-LBPRGKRZSA-N 0 1 284.831 2.778 20 30 CFEDMN C=C(Cl)CN[C@H]1CN(C(=O)C2(C)CCC2)CC1(C)C ZINC000996130541 625875474 /nfs/dbraw/zinc/87/54/74/625875474.db2.gz FGJNMTISOSDODB-LBPRGKRZSA-N 0 1 284.831 2.756 20 30 CFEDMN C=CC(C)(C)C(=O)N1C[C@@H](NCC(=C)Cl)C(C)(C)C1 ZINC000996138599 625877487 /nfs/dbraw/zinc/87/74/87/625877487.db2.gz PODSHENNJDDRLI-GFCCVEGCSA-N 0 1 284.831 2.778 20 30 CFEDMN C#Cc1cccc(CN[C@@H](C)c2cnn(CC)c2)c1 ZINC000834903370 625916770 /nfs/dbraw/zinc/91/67/70/625916770.db2.gz OSLGNCCDBHCOPU-ZDUSSCGKSA-N 0 1 253.349 2.735 20 30 CFEDMN Cc1c(N=NC2C[C@@H](C)n3ccnc32)cccc1[N+](=O)[O-] ZINC000834954480 625931823 /nfs/dbraw/zinc/93/18/23/625931823.db2.gz YENOLBLFEVVNJH-SECBINFHSA-N 0 1 285.307 2.881 20 30 CFEDMN Nc1ccc2c(c1)CCCC2=NO[C@@H]1CCCCO1 ZINC000834965854 625936379 /nfs/dbraw/zinc/93/63/79/625936379.db2.gz AMWSAJJKDOUZES-OAHLLOKOSA-N 0 1 260.337 2.852 20 30 CFEDMN CC(C)(C)c1cnc(CN=Nc2ccncn2)s1 ZINC000835000522 625950079 /nfs/dbraw/zinc/95/00/79/625950079.db2.gz GLEFATKJRBCBGD-UHFFFAOYSA-N 0 1 261.354 2.677 20 30 CFEDMN O=C([O-])c1ccc(N[NH2+]C=C2CC2(F)F)cc1F ZINC000835009726 625956905 /nfs/dbraw/zinc/95/69/05/625956905.db2.gz ZFVXCGDLTIGUMZ-LURJTMIESA-N 0 1 258.199 2.577 20 30 CFEDMN C=CCON=C1CCN(CCC(F)(F)F)CC1 ZINC000835013596 625959956 /nfs/dbraw/zinc/95/99/56/625959956.db2.gz VFYAMSHVJZPMOU-UHFFFAOYSA-N 0 1 250.264 2.593 20 30 CFEDMN CC1(C)OCC[C@@H]1NN=Cc1cc(Cl)cc(F)c1O ZINC000835016618 625962415 /nfs/dbraw/zinc/96/24/15/625962415.db2.gz MDCKKEFTGTUFLT-NSHDSACASA-N 0 1 286.734 2.676 20 30 CFEDMN C=C1CCC(CNC(=O)N[C@@H]2CCCc3cn[nH]c32)CC1 ZINC000921525580 625973660 /nfs/dbraw/zinc/97/36/60/625973660.db2.gz MYCUUOXXHOUIHG-CQSZACIVSA-N 0 1 288.395 2.833 20 30 CFEDMN CCN(CC)c1ccc(C=NN[C@@H](C)CC#N)cc1F ZINC000771887771 625988044 /nfs/dbraw/zinc/98/80/44/625988044.db2.gz WVJNPYWWZSVHMG-LBPRGKRZSA-N 0 1 276.359 2.898 20 30 CFEDMN COc1ccc(C(=O)/C=C/c2ccc(F)nc2)c(O)c1 ZINC000186418482 626059931 /nfs/dbraw/zinc/05/99/31/626059931.db2.gz ZRELTZPEPNALRJ-QHHAFSJGSA-N 0 1 273.263 2.831 20 30 CFEDMN C=C(Cl)CN[C@@H]1CCCN(C(=O)[C@H]2[C@@H]3CCCC[C@@H]32)C1 ZINC000998816982 626061936 /nfs/dbraw/zinc/06/19/36/626061936.db2.gz IMAAOIXJPVYLFP-KBXIAJHMSA-N 0 1 296.842 2.756 20 30 CFEDMN CN(C)c1cccc(CNCc2csc(C#N)c2)c1 ZINC000921685389 626077018 /nfs/dbraw/zinc/07/70/18/626077018.db2.gz UUNMPMNIFZAGOJ-UHFFFAOYSA-N 0 1 271.389 2.976 20 30 CFEDMN C=C(Cl)CN[C@H]1CCCN(C(=O)[C@]23C[C@H]2CCC3)C1 ZINC000999746180 626079731 /nfs/dbraw/zinc/07/97/31/626079731.db2.gz QEZXXPJGBOZVBU-VNHYZAJKSA-N 0 1 282.815 2.510 20 30 CFEDMN CO[C@@H](CNCc1c(C)cc(C#N)cc1C)C(F)(F)F ZINC000921738537 626102081 /nfs/dbraw/zinc/10/20/81/626102081.db2.gz RALRQURXINOGLE-ZDUSSCGKSA-N 0 1 286.297 2.842 20 30 CFEDMN C=C(Cl)CN[C@@H]1CCCN(C(=O)[C@@H]2CC23CCC3)C1 ZINC001000324695 626109129 /nfs/dbraw/zinc/10/91/29/626109129.db2.gz OVKROSXMVHHRBN-OLZOCXBDSA-N 0 1 282.815 2.510 20 30 CFEDMN C=C(Cl)CN[C@@H]1CCCN(C(=O)c2cc(C)[nH]c2C)C1 ZINC001000317406 626110074 /nfs/dbraw/zinc/11/00/74/626110074.db2.gz VERIENQJZPVHSY-CYBMUJFWSA-N 0 1 295.814 2.578 20 30 CFEDMN C=C(Cl)CN[C@H]1CCCN(C(=O)C[C@H](C)C2CC2)C1 ZINC001001017853 626139339 /nfs/dbraw/zinc/13/93/39/626139339.db2.gz YRSCJFFOTBCZNY-FZMZJTMJSA-N 0 1 284.831 2.756 20 30 CFEDMN Cc1ccsc1[C@H](CO)NCc1csc(C#N)c1 ZINC000921818070 626141855 /nfs/dbraw/zinc/14/18/55/626141855.db2.gz MMFVNFHVIMTMSL-LBPRGKRZSA-N 0 1 278.402 2.813 20 30 CFEDMN C#CCN1CC=C(CNC(=O)c2cccc(C(C)C)c2)CC1 ZINC001001337853 626155156 /nfs/dbraw/zinc/15/51/56/626155156.db2.gz IZVKQCYOSARARK-UHFFFAOYSA-N 0 1 296.414 2.805 20 30 CFEDMN C#CCN1CC=C(CNC(=O)[C@@H]2CCCC(C)(C)C2)CC1 ZINC001001481867 626159348 /nfs/dbraw/zinc/15/93/48/626159348.db2.gz SIBVPUTZGHDNSH-MRXNPFEDSA-N 0 1 288.435 2.584 20 30 CFEDMN Cc1cc(C#N)cc(C)c1CNCc1cccc(F)n1 ZINC000921921277 626178654 /nfs/dbraw/zinc/17/86/54/626178654.db2.gz VWANTEYHQMAORW-UHFFFAOYSA-N 0 1 269.323 2.999 20 30 CFEDMN Cc1c(CNCc2c(C)cc(C#N)cc2C)cnn1C ZINC000921936154 626181376 /nfs/dbraw/zinc/18/13/76/626181376.db2.gz NOYGHILIJAZOBW-UHFFFAOYSA-N 0 1 268.364 2.507 20 30 CFEDMN CC#CCN1CCC(NC(=O)[C@H]2CCC=CCCC2)CC1 ZINC001003133463 626222696 /nfs/dbraw/zinc/22/26/96/626222696.db2.gz KAYJKKGAVHNWAN-INIZCTEOSA-N 0 1 288.435 2.727 20 30 CFEDMN CC#CCN1CCC(NC(=O)[C@]2(C)CCC[C@@H]2CC)CC1 ZINC001003156805 626223189 /nfs/dbraw/zinc/22/31/89/626223189.db2.gz VJCPEIUZJYMJJM-MAUKXSAKSA-N 0 1 290.451 2.807 20 30 CFEDMN CCc1[nH]nc(Cl)c1CNCC(C)(C)CC#N ZINC000922176188 626230891 /nfs/dbraw/zinc/23/08/91/626230891.db2.gz ABHMJGLFDDMROL-UHFFFAOYSA-N 0 1 254.765 2.655 20 30 CFEDMN C/C=C/CNCc1cc(C#N)ccc1Br ZINC000922295390 626262342 /nfs/dbraw/zinc/26/23/42/626262342.db2.gz ZLBOPYBEAALUEV-NSCUHMNNSA-N 0 1 265.154 2.986 20 30 CFEDMN CC#CCN1CCC(NC(=O)c2cc(C)ccc2C)CC1 ZINC001004047769 626279616 /nfs/dbraw/zinc/27/96/16/626279616.db2.gz IDTWUEORMNILGP-UHFFFAOYSA-N 0 1 284.403 2.521 20 30 CFEDMN CCN(C(=O)CNCc1ccc(C#N)s1)c1ccccc1 ZINC000922476461 626295307 /nfs/dbraw/zinc/29/53/07/626295307.db2.gz BIPUSCIAGRQNHC-UHFFFAOYSA-N 0 1 299.399 2.762 20 30 CFEDMN C#Cc1cccc(NC(=O)CN(C)CCC=C(C)C)c1 ZINC000851729678 634495190 /nfs/dbraw/zinc/49/51/90/634495190.db2.gz FHQJLWBVEJMRDD-UHFFFAOYSA-N 0 1 270.376 2.895 20 30 CFEDMN CCOc1cccc(CNCc2ccc(C)c(C#N)c2)n1 ZINC000922758457 626359181 /nfs/dbraw/zinc/35/91/81/626359181.db2.gz BMKDRNWKUIMYOM-UHFFFAOYSA-N 0 1 281.359 2.950 20 30 CFEDMN Cc1ccc(CNCc2cnn(C(C)C)c2)cc1C#N ZINC000922759293 626359642 /nfs/dbraw/zinc/35/96/42/626359642.db2.gz LSNUOYNQIXHIOL-UHFFFAOYSA-N 0 1 268.364 2.934 20 30 CFEDMN CCC(=O)N1CCCC[C@H]1[C@@H](C)NCc1ccccc1C#N ZINC001004652648 626393347 /nfs/dbraw/zinc/39/33/47/626393347.db2.gz INNBNNZYOBZOES-PBHICJAKSA-N 0 1 299.418 2.827 20 30 CFEDMN CCC(=O)N1CCCC[C@@H]1[C@H](C)NCc1ccccc1C#N ZINC001004652665 626393592 /nfs/dbraw/zinc/39/35/92/626393592.db2.gz INNBNNZYOBZOES-WMLDXEAASA-N 0 1 299.418 2.827 20 30 CFEDMN N#CC(C(=O)[C@@H]1COc2ccccc2C1)c1ccccn1 ZINC000073971112 626401446 /nfs/dbraw/zinc/40/14/46/626401446.db2.gz JZRPXLTZXJFVTB-UONOGXRCSA-N 0 1 278.311 2.509 20 30 CFEDMN CC#CCN1CCC(N(C)C(=O)c2sccc2C)CC1 ZINC001005054687 626407341 /nfs/dbraw/zinc/40/73/41/626407341.db2.gz HZSQZAYPKTUDAY-UHFFFAOYSA-N 0 1 290.432 2.616 20 30 CFEDMN C=CCN(Cc1cccc(C#N)c1)C[C@H]1COC(C)(C)O1 ZINC000851738788 634502006 /nfs/dbraw/zinc/50/20/06/634502006.db2.gz RUXAWGUQDZVHCN-INIZCTEOSA-N 0 1 286.375 2.698 20 30 CFEDMN C#CCN1CCC(N(C)C(=O)c2ccc(CCC)cc2)CC1 ZINC001005905803 626448243 /nfs/dbraw/zinc/44/82/43/626448243.db2.gz LDTMSUMAOCFPSM-UHFFFAOYSA-N 0 1 298.430 2.809 20 30 CFEDMN CC#CCN1CCC(N(C)C(=O)[C@@H]2CCC(C)(C)C2)CC1 ZINC001005955160 626453762 /nfs/dbraw/zinc/45/37/62/626453762.db2.gz AYAOOZYYGBSMIE-OAHLLOKOSA-N 0 1 290.451 2.759 20 30 CFEDMN O=C(/C=C/c1ccc(O)c(F)c1)c1ccc(O)cc1O ZINC000121326104 626487696 /nfs/dbraw/zinc/48/76/96/626487696.db2.gz VONJGYHXPQHXPQ-ORCRQEGFSA-N 0 1 274.247 2.839 20 30 CFEDMN C=CCN(CCC(=O)N1CCCC1)Cc1ccccc1F ZINC000838795669 626505393 /nfs/dbraw/zinc/50/53/93/626505393.db2.gz KXEMSHVAKCLSSY-UHFFFAOYSA-N 0 1 290.382 2.826 20 30 CFEDMN C#CCC[C@H](C)OC(=O)[C@]1(F)CCN(C(C)(C)C)C1 ZINC000839039062 626519543 /nfs/dbraw/zinc/51/95/43/626519543.db2.gz BLWITKCGALDPRM-WFASDCNBSA-N 0 1 269.360 2.544 20 30 CFEDMN C=CC[C@H]1N(Cc2cnn(CC)n2)CCCC1(C)C ZINC000839061882 626522523 /nfs/dbraw/zinc/52/25/23/626522523.db2.gz MZLVZCJHKBHBHG-CQSZACIVSA-N 0 1 262.401 2.865 20 30 CFEDMN CC(C)(C)[C@@H]1C[C@H]1C(=O)Nc1cc(C#N)ccc1O ZINC000867012145 626536456 /nfs/dbraw/zinc/53/64/56/626536456.db2.gz BBJFXKLLZNNMDW-GHMZBOCLSA-N 0 1 258.321 2.885 20 30 CFEDMN CCCCCCCCNC(=O)[C@H]1CCc2[nH]cnc2C1 ZINC000220546255 626540113 /nfs/dbraw/zinc/54/01/13/626540113.db2.gz BCFDVGJURNKQEV-ZDUSSCGKSA-N 0 1 277.412 2.991 20 30 CFEDMN C#C[C@@H](NCc1cnc2ccc(C)cc2c1)[C@H]1CCCO1 ZINC000839564411 626546837 /nfs/dbraw/zinc/54/68/37/626546837.db2.gz RAEVZXGKWXVGQD-SJLPKXTDSA-N 0 1 280.371 2.814 20 30 CFEDMN COc1ccc(O)c(C(C)=NNc2ncccc2C)c1 ZINC000790193554 626550302 /nfs/dbraw/zinc/55/03/02/626550302.db2.gz HQCKRACVIAXBAC-UHFFFAOYSA-N 0 1 271.320 2.940 20 30 CFEDMN COc1ccc(C(=O)/C=C\c2nccs2)c(O)c1 ZINC000757471377 626553029 /nfs/dbraw/zinc/55/30/29/626553029.db2.gz CNAUZNOHLWIITM-PLNGDYQASA-N 0 1 261.302 2.753 20 30 CFEDMN COc1c(O)cccc1/C=C\C(=O)c1ccc(O)cc1O ZINC000757473341 626553270 /nfs/dbraw/zinc/55/32/70/626553270.db2.gz WBEVGALNTLKWRK-YVMONPNESA-N 0 1 286.283 2.708 20 30 CFEDMN C(=NNC1CCOCC1)c1ccc(N2CCCCC2)s1 ZINC000757591297 626556094 /nfs/dbraw/zinc/55/60/94/626556094.db2.gz QHOVWFLKXUTQLB-UHFFFAOYSA-N 0 1 293.436 2.841 20 30 CFEDMN C#CCCCC(=O)N[C@H]1CC[N@H+]([C@H](C)c2ccccc2)C1 ZINC000757858646 626565556 /nfs/dbraw/zinc/56/55/56/626565556.db2.gz PMMVIPYIGUIQKM-WBVHZDCISA-N 0 1 284.403 2.742 20 30 CFEDMN C#CCOc1ccc(CN(C)Cc2ccccn2)cc1 ZINC000757889872 626566800 /nfs/dbraw/zinc/56/68/00/626566800.db2.gz LGZAOFZWOMWJOP-UHFFFAOYSA-N 0 1 266.344 2.726 20 30 CFEDMN Oc1cc(Cl)c(CN=Nc2cnccn2)cc1Cl ZINC000758098732 626576587 /nfs/dbraw/zinc/57/65/87/626576587.db2.gz UUVJYMZSSIVPFB-UHFFFAOYSA-N 0 1 283.118 2.935 20 30 CFEDMN C[C@@H](C#N)CNN=Cc1cc(Cl)c(O)cc1Cl ZINC000758118831 626577340 /nfs/dbraw/zinc/57/73/40/626577340.db2.gz QCWIDBPQNHUZDD-ZETCQYMHSA-N 0 1 272.135 2.782 20 30 CFEDMN Brc1cncc(NN=Cc2cc[nH]c2)c1 ZINC000758129992 626578021 /nfs/dbraw/zinc/57/80/21/626578021.db2.gz NJLCTWGJROGIJD-UHFFFAOYSA-N 0 1 265.114 2.618 20 30 CFEDMN C=CC[C@@H](NC(=O)[C@H]1CCCc2[nH]ncc21)c1ccncc1 ZINC000758161259 626579517 /nfs/dbraw/zinc/57/95/17/626579517.db2.gz DUWGIKCTJUUWDT-DZGCQCFKSA-N 0 1 296.374 2.658 20 30 CFEDMN CCCCCN(Cn1ccc(C)c(C#N)c1=O)C(C)C ZINC000758197885 626581985 /nfs/dbraw/zinc/58/19/85/626581985.db2.gz REQIPYSDQCUKQE-UHFFFAOYSA-N 0 1 275.396 2.887 20 30 CFEDMN C#CCNC(=S)N1CCC[C@H]1c1nc2ccc(C)cc2[nH]1 ZINC000758213762 626582882 /nfs/dbraw/zinc/58/28/82/626582882.db2.gz CLHSJJBAOFQQEE-AWEZNQCLSA-N 0 1 298.415 2.516 20 30 CFEDMN CC[C@H](C)[C@@H]1CCCCN1Cn1ccc(C)c(C#N)c1=O ZINC000758224300 626583747 /nfs/dbraw/zinc/58/37/47/626583747.db2.gz TVLBVAAMXNBFJF-BBRMVZONSA-N 0 1 287.407 2.887 20 30 CFEDMN Cc1ccn(CN2CCC[C@H]2CCC(C)C)c(=O)c1C#N ZINC000758239776 626584803 /nfs/dbraw/zinc/58/48/03/626584803.db2.gz OBPCVRGAZDVGAJ-HNNXBMFYSA-N 0 1 287.407 2.887 20 30 CFEDMN CC(C)c1ncc(C=NNCCN2CCCCC2)s1 ZINC000758372140 626590114 /nfs/dbraw/zinc/59/01/14/626590114.db2.gz INTMSARBECLYPL-UHFFFAOYSA-N 0 1 280.441 2.676 20 30 CFEDMN C=CCC(CC=C)C(=O)NCc1n[nH]c(-c2ccccc2)n1 ZINC000758464096 626594841 /nfs/dbraw/zinc/59/48/41/626594841.db2.gz AJISNZAXNRKINF-UHFFFAOYSA-N 0 1 296.374 2.856 20 30 CFEDMN C=CCC(CC=C)C(=O)NCc1nc(-c2ccccc2)n[nH]1 ZINC000758464096 626594843 /nfs/dbraw/zinc/59/48/43/626594843.db2.gz AJISNZAXNRKINF-UHFFFAOYSA-N 0 1 296.374 2.856 20 30 CFEDMN FC(F)CON=CC1(CN2CCOCC2)CCCCC1 ZINC000758904295 626616669 /nfs/dbraw/zinc/61/66/69/626616669.db2.gz UFJJKQWKCRKQMD-UHFFFAOYSA-N 0 1 290.354 2.537 20 30 CFEDMN N#Cc1cc(COC(=O)[C@@H]2CCCc3[nH]ncc32)ccc1F ZINC000758954112 626620177 /nfs/dbraw/zinc/62/01/77/626620177.db2.gz LXXGJWYJMDYBEG-GFCCVEGCSA-N 0 1 299.305 2.584 20 30 CFEDMN C#CCN(CC)C[C@H](O)c1ccc(Cl)cc1Cl ZINC000759070821 626627185 /nfs/dbraw/zinc/62/71/85/626627185.db2.gz ZGPJQEZISQUYGY-ZDUSSCGKSA-N 0 1 272.175 2.982 20 30 CFEDMN Cc1cc(N=NC(C)c2ccc(F)cc2N(C)C)ncn1 ZINC000759195067 626635177 /nfs/dbraw/zinc/63/51/77/626635177.db2.gz AXOZTULASYLNMS-UHFFFAOYSA-N 0 1 287.342 2.826 20 30 CFEDMN CCCCCCNC(=O)C(C#N)C(=O)[C@@H]1CC12CCC2 ZINC000759822201 626694141 /nfs/dbraw/zinc/69/41/41/626694141.db2.gz SDQJVPVMDRMACZ-OLZOCXBDSA-N 0 1 276.380 2.582 20 30 CFEDMN Cc1cccc(NC(=O)C(C#N)C(=O)[C@@H]2CC23CCC3)c1 ZINC000759835742 626694824 /nfs/dbraw/zinc/69/48/24/626694824.db2.gz UUOWXGYTQMHAIN-KBPBESRZSA-N 0 1 282.343 2.833 20 30 CFEDMN N#CC(C(=O)CCc1ccc(Cl)cc1)c1ccncn1 ZINC000760341115 626736763 /nfs/dbraw/zinc/73/67/63/626736763.db2.gz QUCYGNBZRHAVKJ-CYBMUJFWSA-N 0 1 285.734 2.939 20 30 CFEDMN CC[C@@H](Oc1cccc(C)c1)C(=O)C(C#N)c1ccncn1 ZINC000760347969 626738228 /nfs/dbraw/zinc/73/82/28/626738228.db2.gz YRIIPZMPYPLLDD-GDBMZVCRSA-N 0 1 295.342 2.819 20 30 CFEDMN N#CC(C(=O)C=Cc1ccccc1F)c1ccncn1 ZINC000760356532 626739026 /nfs/dbraw/zinc/73/90/26/626739026.db2.gz HZVSUHCYZHKHRY-FYJFLYSWSA-N 0 1 267.263 2.505 20 30 CFEDMN N#CC(C(=O)CCCOc1ccccc1)c1ccncn1 ZINC000760360503 626739709 /nfs/dbraw/zinc/73/97/09/626739709.db2.gz ZJSWTDBFGVEEHP-CQSZACIVSA-N 0 1 281.315 2.512 20 30 CFEDMN C=CCN(Cc1cc2c(cc1OC)OCO2)C(C)C ZINC000761192513 626814296 /nfs/dbraw/zinc/81/42/96/626814296.db2.gz PXDJEUCSWKTURF-UHFFFAOYSA-N 0 1 263.337 2.820 20 30 CFEDMN CCO[C@H](CC(=O)Nc1cc(C#N)ccc1O)C(C)C ZINC000761573988 626847688 /nfs/dbraw/zinc/84/76/88/626847688.db2.gz VCWJIINCZFJBAJ-CQSZACIVSA-N 0 1 276.336 2.654 20 30 CFEDMN COc1cc([N+](=O)[O-])ccc1N=NCc1ccc(C)cn1 ZINC000761813377 626860186 /nfs/dbraw/zinc/86/01/86/626860186.db2.gz VYKNFJALYWTSID-UHFFFAOYSA-N 0 1 286.291 2.753 20 30 CFEDMN Cn1cc(NN=C2CCCc3cc(F)ccc32)cn1 ZINC000761863653 626866468 /nfs/dbraw/zinc/86/64/68/626866468.db2.gz CJPOYVWOYYVKST-UHFFFAOYSA-N 0 1 258.300 2.712 20 30 CFEDMN Cc1c(C(C)N=Nc2cnn(C)c2)cnn1-c1ccccc1 ZINC000761869961 626867844 /nfs/dbraw/zinc/86/78/44/626867844.db2.gz OIYZSJRRUQCESR-UHFFFAOYSA-N 0 1 294.362 2.750 20 30 CFEDMN CSCC(N=Nc1cnn(C)c1)c1ccccc1 ZINC000761880500 626868679 /nfs/dbraw/zinc/86/86/79/626868679.db2.gz CWBQGZTYZMADTO-UHFFFAOYSA-N 0 1 260.366 2.599 20 30 CFEDMN C#CCCc1noc(-c2ccc(Br)cc2O)n1 ZINC000762009839 626880245 /nfs/dbraw/zinc/88/02/45/626880245.db2.gz XLQCDRPZFVEZDJ-UHFFFAOYSA-N 0 1 293.120 2.771 20 30 CFEDMN CCC(CC)[C@@H](C)C(=O)C(C#N)C(=O)NC1CCCC1 ZINC000762039883 626883173 /nfs/dbraw/zinc/88/31/73/626883173.db2.gz SIHDUIKDJCYKNA-RISCZKNCSA-N 0 1 278.396 2.826 20 30 CFEDMN Cn1c2ccccc2nc1C(C#N)C(=O)[C@@H]1CCSC1 ZINC000762063421 626885584 /nfs/dbraw/zinc/88/55/84/626885584.db2.gz DJZSMYMLFNOXNE-MNOVXSKESA-N 0 1 285.372 2.503 20 30 CFEDMN C#C[C@@H](NCc1cn2cccc(F)c2n1)C(C)(C)C ZINC000809781113 626909476 /nfs/dbraw/zinc/90/94/76/626909476.db2.gz HPFNGSBTXMAWQW-CYBMUJFWSA-N 0 1 259.328 2.611 20 30 CFEDMN Clc1ccc2c(c1)C(=NNc1ncnc3nc[nH]c31)CC2 ZINC000762450088 626917127 /nfs/dbraw/zinc/91/71/27/626917127.db2.gz OWYIZGSSWBAKMO-UHFFFAOYSA-N 0 1 298.737 2.769 20 30 CFEDMN C[C@H]1CC/C(=C/C(=O)Nc2cc(C#N)ccc2O)C1 ZINC000762816901 626940238 /nfs/dbraw/zinc/94/02/38/626940238.db2.gz DLGITVHLGSOORA-DFYQSJSGSA-N 0 1 256.305 2.949 20 30 CFEDMN C[C@@H]1CC/C(=C/C(=O)Nc2cc(C#N)ccc2O)C1 ZINC000762816913 626940385 /nfs/dbraw/zinc/94/03/85/626940385.db2.gz DLGITVHLGSOORA-UBYNWHESSA-N 0 1 256.305 2.949 20 30 CFEDMN Cn1c2ccccc2nc1C(C#N)C(=O)Cc1ccco1 ZINC000763040671 626958539 /nfs/dbraw/zinc/95/85/39/626958539.db2.gz GMSJBQAHTFPZNM-GFCCVEGCSA-N 0 1 279.299 2.585 20 30 CFEDMN Fc1cccc2[nH]cc(C=NNCCN3CCCCC3)c21 ZINC000763356587 626982609 /nfs/dbraw/zinc/98/26/09/626982609.db2.gz VILHHVPAPLXPST-UHFFFAOYSA-N 0 1 288.370 2.716 20 30 CFEDMN C#CCN(CCOc1ccc(Br)cc1)C1CC1 ZINC000763949741 627025171 /nfs/dbraw/zinc/02/51/71/627025171.db2.gz GSZCSADYSMESTC-UHFFFAOYSA-N 0 1 294.192 2.926 20 30 CFEDMN C#CCN(CCOc1cccc(Br)c1)C1CC1 ZINC000763951429 627025386 /nfs/dbraw/zinc/02/53/86/627025386.db2.gz WZSUICUZVHLFEQ-UHFFFAOYSA-N 0 1 294.192 2.926 20 30 CFEDMN C#CCN(CC)C(=O)[C@@H](c1ccccc1)N(CC)CC ZINC000764211562 627045061 /nfs/dbraw/zinc/04/50/61/627045061.db2.gz UAIMPGXUCGFPHR-MRXNPFEDSA-N 0 1 272.392 2.551 20 30 CFEDMN O=c1ccc2c([nH]1)CCCC2=NNc1ncccc1Cl ZINC000764680193 627083636 /nfs/dbraw/zinc/08/36/36/627083636.db2.gz APCXYTOUYGYHDD-UHFFFAOYSA-N 0 1 288.738 2.988 20 30 CFEDMN CC(C)c1ccsc1C(=O)N=C1C[C@@H](C)ON1 ZINC000765377724 627132920 /nfs/dbraw/zinc/13/29/20/627132920.db2.gz VLAKEUIXRZLYPI-MRVPVSSYSA-N 0 1 252.339 2.724 20 30 CFEDMN Cc1ccccc1NC(=S)NN=C1CCN2CCC[C@H]12 ZINC000765556677 627147113 /nfs/dbraw/zinc/14/71/13/627147113.db2.gz WPLZXEKWXWGTOM-CQSZACIVSA-N 0 1 288.420 2.506 20 30 CFEDMN FC(F)(F)c1cccnc1C=N[N-]c1cccc[nH+]1 ZINC000765558421 627147382 /nfs/dbraw/zinc/14/73/82/627147382.db2.gz ZQVCAQPCAPOWAI-UHFFFAOYSA-N 0 1 266.226 2.941 20 30 CFEDMN Clc1ccccc1CNN=C1CCN2CCC[C@@H]12 ZINC000765572787 627147749 /nfs/dbraw/zinc/14/77/49/627147749.db2.gz TZHZZDUDBXSGQH-AWEZNQCLSA-N 0 1 263.772 2.654 20 30 CFEDMN Cc1cc(C(C#N)C(=O)[C@@H](C)CC(C)C)nc(C)n1 ZINC000765585506 627148814 /nfs/dbraw/zinc/14/88/14/627148814.db2.gz ADOKXQXBPFSSSP-GWCFXTLKSA-N 0 1 259.353 2.952 20 30 CFEDMN CC(=NNc1ccc([N+](=O)[O-])cc1Cl)c1ccnn1C ZINC000766013810 627171578 /nfs/dbraw/zinc/17/15/78/627171578.db2.gz PWWAXJXECUOTEW-UHFFFAOYSA-N 0 1 293.714 2.818 20 30 CFEDMN C#CCOc1ccc([C@H](C)NCc2cc(C)n[nH]2)cc1 ZINC000766082705 627176014 /nfs/dbraw/zinc/17/60/14/627176014.db2.gz BELGLPNWMKUUPN-ZDUSSCGKSA-N 0 1 269.348 2.581 20 30 CFEDMN C#CCN(CCC(=O)C1CC1)[C@@H]1CCc2ccccc21 ZINC000767362986 627245254 /nfs/dbraw/zinc/24/52/54/627245254.db2.gz FXYZBKAMYKYSKY-QGZVFWFLSA-N 0 1 267.372 2.978 20 30 CFEDMN COc1ccc(NN=Cc2ccc(O)cc2)c([N+](=O)[O-])c1 ZINC000767801174 627286429 /nfs/dbraw/zinc/28/64/29/627286429.db2.gz HDPUXSOFZBNKRE-UHFFFAOYSA-N 0 1 287.275 2.755 20 30 CFEDMN COc1ccc(N=NCc2ccc(C#N)o2)c([N+](=O)[O-])c1 ZINC000767800801 627286612 /nfs/dbraw/zinc/28/66/12/627286612.db2.gz CNOPGKPYFRLFJQ-UHFFFAOYSA-N 0 1 286.247 2.514 20 30 CFEDMN C#CC[C@@H](NCC(OCC)OCC)c1ccccc1 ZINC000767817141 627288118 /nfs/dbraw/zinc/28/81/18/627288118.db2.gz HDOFAICSKKOGHR-OAHLLOKOSA-N 0 1 261.365 2.740 20 30 CFEDMN Cc1cc(C)n(-c2nncn2N=C[C@H]2CCC[C@@H](C)C2)n1 ZINC000768355889 627336184 /nfs/dbraw/zinc/33/61/84/627336184.db2.gz UYWROFMNKFGQOG-RISCZKNCSA-N 0 1 286.383 2.741 20 30 CFEDMN C[C@@H]1CCC[C@H](C=NNCCN2CCCCC2)C1 ZINC000768359201 627336363 /nfs/dbraw/zinc/33/63/63/627336363.db2.gz BBUCNLMFQQDGGS-CABCVRRESA-N 0 1 251.418 2.874 20 30 CFEDMN Cc1cc(C)n(-c2nncn2N=C[C@H]2CCC[C@H](C)C2)n1 ZINC000768355888 627336428 /nfs/dbraw/zinc/33/64/28/627336428.db2.gz UYWROFMNKFGQOG-FZMZJTMJSA-N 0 1 286.383 2.741 20 30 CFEDMN Cc1ncc(C=NNc2cc(C#N)cc(Cl)n2)s1 ZINC000768379439 627338417 /nfs/dbraw/zinc/33/84/17/627338417.db2.gz HPWVTCFNQXBIAB-UHFFFAOYSA-N 0 1 277.740 2.818 20 30 CFEDMN C[C@H]1CC(N=Nc2cc(C#N)cc(Cl)n2)CN1C1CC1 ZINC000768380562 627338838 /nfs/dbraw/zinc/33/88/38/627338838.db2.gz AZAPGUPEPJNHAC-VIFPVBQESA-N 0 1 289.770 2.631 20 30 CFEDMN N#Cc1cc(Cl)nc(NN=Cc2ccc([N+](=O)[O-])o2)c1 ZINC000768382308 627339435 /nfs/dbraw/zinc/33/94/35/627339435.db2.gz SNZRCGDHRVUFKY-UHFFFAOYSA-N 0 1 291.654 2.554 20 30 CFEDMN CC(C)c1csc(C(C#N)C(=O)C2=CCOCC2)n1 ZINC000768550202 627353552 /nfs/dbraw/zinc/35/35/52/627353552.db2.gz BYFVBRCGVRUEPF-NSHDSACASA-N 0 1 276.361 2.789 20 30 CFEDMN C=C(Br)CN1CCC[C@]1(C)CCCO ZINC000769160093 627408078 /nfs/dbraw/zinc/40/80/78/627408078.db2.gz AOBDJGRJJLHFAS-LLVKDONJSA-N 0 1 262.191 2.522 20 30 CFEDMN C[C@H]1C[C@@H]1C(=O)C(C#N)C(=O)Nc1ccc(F)c(Cl)c1 ZINC000769282526 627418746 /nfs/dbraw/zinc/41/87/46/627418746.db2.gz OKIHUWPUQRSOLE-HGNGGELXSA-N 0 1 294.713 2.782 20 30 CFEDMN CCC(N=Nc1ccc(F)c([N+](=O)[O-])c1)c1ccn(C)n1 ZINC000769822767 627479042 /nfs/dbraw/zinc/47/90/42/627479042.db2.gz LNDHBVVBHQIMII-UHFFFAOYSA-N 0 1 291.286 2.694 20 30 CFEDMN Fc1cccc(Cl)c1NN=Cc1cnc2ncccn12 ZINC000769827439 627479711 /nfs/dbraw/zinc/47/97/11/627479711.db2.gz XZTWHEVBAISAKJ-UHFFFAOYSA-N 0 1 289.701 2.968 20 30 CFEDMN Cn1nccc1C=NNc1c(F)cccc1Cl ZINC000769826630 627479745 /nfs/dbraw/zinc/47/97/45/627479745.db2.gz HPDIVMDRKZFDBR-UHFFFAOYSA-N 0 1 252.680 2.659 20 30 CFEDMN Cc1n[nH]cc1C=NNc1c(F)cccc1Cl ZINC000769826998 627479976 /nfs/dbraw/zinc/47/99/76/627479976.db2.gz MEBYIWPGOOVCNU-UHFFFAOYSA-N 0 1 252.680 2.957 20 30 CFEDMN C#C[C@H](C)N(C)Cc1ccc(OCC)c(OCC)c1 ZINC000769960631 627491828 /nfs/dbraw/zinc/49/18/28/627491828.db2.gz FDTOIKHNKAMIBA-ZDUSSCGKSA-N 0 1 261.365 2.938 20 30 CFEDMN C#C[C@@H](C)N(C)Cc1cc(Cl)c2c(c1)OCCCO2 ZINC000769962319 627492710 /nfs/dbraw/zinc/49/27/10/627492710.db2.gz XFVRBMWLXUEMPM-LLVKDONJSA-N 0 1 279.767 2.955 20 30 CFEDMN C=CCC[C@H](C)OC(=O)c1ccc(-c2nnc[nH]2)cc1 ZINC000770566296 627530624 /nfs/dbraw/zinc/53/06/24/627530624.db2.gz PRLRZINXZODTGQ-NSHDSACASA-N 0 1 271.320 2.983 20 30 CFEDMN CCCCCCCC(=O)N1CCN(C)[C@H](C)[C@H]1C ZINC000771409316 627602460 /nfs/dbraw/zinc/60/24/60/627602460.db2.gz XYEBVHCOLNVICB-ZIAGYGMSSA-N 0 1 254.418 2.898 20 30 CFEDMN CC(=NN[C@H](C)CC#N)c1ccc(N2CCCC2)cc1O ZINC000771888565 627643398 /nfs/dbraw/zinc/64/33/98/627643398.db2.gz KODQTBDTAGTSMK-GFCCVEGCSA-N 0 1 286.379 2.608 20 30 CFEDMN C#CCN1CCC(C(=O)OC[C@@H]2CCC[C@@H](C)C2)CC1 ZINC000772116522 627674783 /nfs/dbraw/zinc/67/47/83/627674783.db2.gz RTIUMNDAUQIXPD-HUUCEWRRSA-N 0 1 277.408 2.701 20 30 CFEDMN C=Cn1cc(CN=Nc2ccc(C(F)(F)F)cn2)cn1 ZINC000772997667 627766391 /nfs/dbraw/zinc/76/63/91/627766391.db2.gz MFKXDQCITZRPRT-UHFFFAOYSA-N 0 1 281.241 2.843 20 30 CFEDMN CC1(C)CCC[C@@H]1C(=O)C(C#N)C(=O)NCc1ccccc1 ZINC000773974459 627875311 /nfs/dbraw/zinc/87/53/11/627875311.db2.gz HUTKBRYHMXXQQD-LSDHHAIUSA-N 0 1 298.386 2.838 20 30 CFEDMN C[C@@H](CC(C)(C)C)C(=O)C(C#N)C(=O)NC1CCCC1 ZINC000773983804 627875817 /nfs/dbraw/zinc/87/58/17/627875817.db2.gz OOXSHWRVSZZHDS-WCQYABFASA-N 0 1 278.396 2.826 20 30 CFEDMN COC(=O)c1coc(/C=C/C(=O)c2ccc(C)cc2O)c1 ZINC000774136755 627892678 /nfs/dbraw/zinc/89/26/78/627892678.db2.gz SYJXMTSDIMPQND-GQCTYLIASA-N 0 1 286.283 2.976 20 30 CFEDMN CC[C@@H](C#N)Oc1cccc(CN[C@H](C)c2ccnn2C)c1 ZINC000774246413 627908273 /nfs/dbraw/zinc/90/82/73/627908273.db2.gz ZEHNXTGZNYMVDG-HIFRSBDPSA-N 0 1 298.390 2.952 20 30 CFEDMN C#C[C@@H](C)[N@@H+](C)Cc1cc(C)cc(Br)c1[O-] ZINC000775183241 627998949 /nfs/dbraw/zinc/99/89/49/627998949.db2.gz KSLVTOMPUBBEEE-SNVBAGLBSA-N 0 1 282.181 2.917 20 30 CFEDMN C#CCOCCN[C@H](c1ccc(C)cc1)c1ccccn1 ZINC000851999327 634621068 /nfs/dbraw/zinc/62/10/68/634621068.db2.gz KTSQSOWBFHVIIX-GOSISDBHSA-N 0 1 280.371 2.719 20 30 CFEDMN C#C[C@@H](NCc1ccc(OC(C)C)cc1)[C@@H]1CCCO1 ZINC000775339331 628011399 /nfs/dbraw/zinc/01/13/99/628011399.db2.gz BOIOWIFOGNHPBO-SJORKVTESA-N 0 1 273.376 2.744 20 30 CFEDMN C#C[C@H](NCc1ccc(OCC(C)C)cc1)[C@H]1CCCO1 ZINC000775339644 628011459 /nfs/dbraw/zinc/01/14/59/628011459.db2.gz CQQLQGHNQVSVMC-ZWKOTPCHSA-N 0 1 287.403 2.992 20 30 CFEDMN C#C[C@H](NCc1ccc(OCC=C)cc1)[C@@H]1CCCO1 ZINC000775339269 628011519 /nfs/dbraw/zinc/01/15/19/628011519.db2.gz BDVMBPKJMZIKMA-IRXDYDNUSA-N 0 1 271.360 2.522 20 30 CFEDMN C#C[C@@H](NCc1ccc(C(F)(F)F)cc1)[C@H]1CCCO1 ZINC000775340179 628011791 /nfs/dbraw/zinc/01/17/91/628011791.db2.gz FVGXQAMIVFZOCP-ZIAGYGMSSA-N 0 1 283.293 2.976 20 30 CFEDMN C#C[C@@H](NCc1ccc2ncccc2c1)[C@H]1CCCO1 ZINC000775340217 628011925 /nfs/dbraw/zinc/01/19/25/628011925.db2.gz GBRBDIDTBOTVSC-NVXWUHKLSA-N 0 1 266.344 2.505 20 30 CFEDMN C#C[C@H](NCc1cccc(OC(F)F)c1)[C@@H]1CCCO1 ZINC000775343724 628013160 /nfs/dbraw/zinc/01/31/60/628013160.db2.gz XNJUNHJXBOZWKS-KBPBESRZSA-N 0 1 281.302 2.558 20 30 CFEDMN C#C[C@@H](NCc1cc(C)c2ncccc2c1)[C@@H]1CCCO1 ZINC000775346595 628014141 /nfs/dbraw/zinc/01/41/41/628014141.db2.gz VPWNHUSPRIYNJZ-SJORKVTESA-N 0 1 280.371 2.814 20 30 CFEDMN C#C[C@H](N[C@@H]1CCc2cc(F)ccc21)[C@H]1CCCO1 ZINC000775571316 628039574 /nfs/dbraw/zinc/03/95/74/628039574.db2.gz FKFMNVWIIPERHH-ARFHVFGLSA-N 0 1 259.324 2.583 20 30 CFEDMN C#C[C@H](N[C@@H](C)c1ccc(C)nc1C)[C@H]1CCCO1 ZINC000775571763 628039583 /nfs/dbraw/zinc/03/95/83/628039583.db2.gz LHMMHZHNNKUQBI-CWRNSKLLSA-N 0 1 258.365 2.530 20 30 CFEDMN C#C[C@H](N[C@@H](C)c1ccc(-n2cccn2)cc1)[C@H]1CCCO1 ZINC000775571158 628039707 /nfs/dbraw/zinc/03/97/07/628039707.db2.gz BDLPYDNLSQEYFT-JCGIZDLHSA-N 0 1 295.386 2.704 20 30 CFEDMN C#C[C@H](N[C@H](C)c1cc([N+](=O)[O-])ccc1C)[C@@H]1CCCO1 ZINC000775573342 628041608 /nfs/dbraw/zinc/04/16/08/628041608.db2.gz HNBIWTKTZORPCA-KCXAZCMYSA-N 0 1 288.347 2.735 20 30 CFEDMN C#C[C@H](N[C@@H]1CCCc2cc(F)ccc21)[C@@H]1CCCO1 ZINC000775573634 628041791 /nfs/dbraw/zinc/04/17/91/628041791.db2.gz IKILKJOLJLPSMD-BBWFWOEESA-N 0 1 273.351 2.974 20 30 CFEDMN C#C[C@H](N[C@H](C)c1cccc([N+](=O)[O-])c1C)[C@H]1CCCO1 ZINC000775574877 628042048 /nfs/dbraw/zinc/04/20/48/628042048.db2.gz SXJDQZSTLNSGFN-IVMMDQJWSA-N 0 1 288.347 2.735 20 30 CFEDMN C#C[C@H](N[C@@H](C)c1ccc(C#N)c(F)c1)[C@H]1CCCO1 ZINC000775574791 628042206 /nfs/dbraw/zinc/04/22/06/628042206.db2.gz RXOHZEFVJMJXAV-KNXALSJPSA-N 0 1 272.323 2.529 20 30 CFEDMN C#C[C@H](NCc1ccc(C(C)(C)C#N)cc1)[C@H]1CCCO1 ZINC000775791883 628069137 /nfs/dbraw/zinc/06/91/37/628069137.db2.gz OSEOMFARFZZTJR-DLBZAZTESA-N 0 1 282.387 2.758 20 30 CFEDMN CCCCCCN(CCN1CCOCC1)CC1(C#N)CC1 ZINC000775974092 628088897 /nfs/dbraw/zinc/08/88/97/628088897.db2.gz XZXHGVUOHVEKLW-UHFFFAOYSA-N 0 1 293.455 2.505 20 30 CFEDMN COCCON=C1CN(Cc2ccccc2)CC[C@H]1C ZINC000776188032 628113783 /nfs/dbraw/zinc/11/37/83/628113783.db2.gz SGWOMXKZPXDWGK-CQSZACIVSA-N 0 1 276.380 2.547 20 30 CFEDMN COC(=O)c1ccccc1N=NCc1ccccc1 ZINC000776189701 628114583 /nfs/dbraw/zinc/11/45/83/628114583.db2.gz PDSHQWLHRJMAPU-UHFFFAOYSA-N 0 1 254.289 2.919 20 30 CFEDMN CC(=NNC1=N[C@@H]2CCCC[C@@H]2N1)c1cccc(F)c1F ZINC000776259279 628123192 /nfs/dbraw/zinc/12/31/92/628123192.db2.gz HSGVJWIMCFRPLM-BETUJISGSA-N 0 1 292.333 2.549 20 30 CFEDMN N#C[C@@H](OC(=O)c1[nH]nc2c1CCCC2)C1CCCCC1 ZINC000776373956 628137883 /nfs/dbraw/zinc/13/78/83/628137883.db2.gz UBDKNTUDDKOLSY-CQSZACIVSA-N 0 1 287.363 2.918 20 30 CFEDMN Cc1cc(C(C#N)C(=O)[C@H]2CC[C@@H](C)C2)nc(C)n1 ZINC000776516835 628155317 /nfs/dbraw/zinc/15/53/17/628155317.db2.gz OADSGEXYIIWWHK-ICCXJUOJSA-N 0 1 257.337 2.706 20 30 CFEDMN CCCCCCNC(=O)C(C#N)C(=O)[C@H]1CC[C@@H](C)C1 ZINC000776516339 628155524 /nfs/dbraw/zinc/15/55/24/628155524.db2.gz MFBKRZKPWIZWGR-HZSPNIEDSA-N 0 1 278.396 2.828 20 30 CFEDMN CO[C@H](CN[C@H](C)c1ccc(C#N)c(F)c1)C(F)(F)F ZINC000777011652 628191518 /nfs/dbraw/zinc/19/15/18/628191518.db2.gz NMYXRJWJJBFKHQ-PRHODGIISA-N 0 1 290.260 2.925 20 30 CFEDMN C#CCOCCN1CCC[C@@H]1c1nc2ccc(C)cc2[nH]1 ZINC000852049541 634636502 /nfs/dbraw/zinc/63/65/02/634636502.db2.gz XLRQZSYMXOMPRK-MRXNPFEDSA-N 0 1 283.375 2.658 20 30 CFEDMN O=[N+]([O-])c1ccc(O)cc1C=NOC1CCCCC1 ZINC000777457410 628227707 /nfs/dbraw/zinc/22/77/07/628227707.db2.gz SYLNQWCQPQJBNM-UHFFFAOYSA-N 0 1 264.281 2.984 20 30 CFEDMN CCC#C[C@@H](C)[N@H+]1CC[C@@](O)(c2ccc(F)cc2)C1 ZINC000777737267 628249913 /nfs/dbraw/zinc/24/99/13/628249913.db2.gz VSOSGQZCMHDBAB-CJNGLKHVSA-N 0 1 261.340 2.521 20 30 CFEDMN COC[C@H](C)NN=Cc1c(Cl)cccc1N1CCCC1 ZINC000777895512 628262400 /nfs/dbraw/zinc/26/24/00/628262400.db2.gz ZLHYPTJATZCVNS-LBPRGKRZSA-N 0 1 295.814 2.899 20 30 CFEDMN Oc1ccc2c(c1)OCC2=NNc1cc(Cl)ccn1 ZINC000777912484 628264540 /nfs/dbraw/zinc/26/45/40/628264540.db2.gz AECHJDNVFKJNSX-UHFFFAOYSA-N 0 1 275.695 2.649 20 30 CFEDMN N#CCOc1ccc(Cl)cc1CN1CCC[C@H]1CCO ZINC000778271322 628293593 /nfs/dbraw/zinc/29/35/93/628293593.db2.gz YXVRGJGOQMRSHS-AWEZNQCLSA-N 0 1 294.782 2.589 20 30 CFEDMN C=C(C)CN1[C@H](C)CN(C(=O)OC(C)(C)C)C[C@@H]1C ZINC000778296941 628295474 /nfs/dbraw/zinc/29/54/74/628295474.db2.gz FKZKNDVZULRYJV-BETUJISGSA-N 0 1 268.401 2.892 20 30 CFEDMN CC(=NNc1cccc(F)c1F)c1cnn(C)c1C ZINC000778541592 628313476 /nfs/dbraw/zinc/31/34/76/628313476.db2.gz MMLMNHANUAQCON-UHFFFAOYSA-N 0 1 264.279 2.843 20 30 CFEDMN C=CC[C@H](C(=O)OCc1n[nH]c(C)n1)c1ccccc1 ZINC000778678096 628323727 /nfs/dbraw/zinc/32/37/27/628323727.db2.gz HMOLDDMWSFGRMK-ZDUSSCGKSA-N 0 1 271.320 2.516 20 30 CFEDMN Cc1ccc(-c2cc(C(=O)N=C3C[C@@H](C)ON3)[nH]n2)c(C)c1 ZINC000779040475 628347673 /nfs/dbraw/zinc/34/76/73/628347673.db2.gz WQZDOFOMPGPZHL-LLVKDONJSA-N 0 1 298.346 2.546 20 30 CFEDMN C#CCOc1cccc(Cl)c1CN(C)C1CCOCC1 ZINC000779153987 628355880 /nfs/dbraw/zinc/35/58/80/628355880.db2.gz NIYIALKDWIHVMW-UHFFFAOYSA-N 0 1 293.794 2.963 20 30 CFEDMN C#CCOc1cccc(Cl)c1CN1CC[C@](O)(CC)C1 ZINC000779220154 628361065 /nfs/dbraw/zinc/36/10/65/628361065.db2.gz ZBCYAHDWHUJDMS-MRXNPFEDSA-N 0 1 293.794 2.699 20 30 CFEDMN Cc1cc(C=NNC2=N[C@H]3CCCC[C@@H]3N2)ccc1Cl ZINC000779784784 628403703 /nfs/dbraw/zinc/40/37/03/628403703.db2.gz RXNUVIGJLIUDNV-KBPBESRZSA-N 0 1 290.798 2.842 20 30 CFEDMN C[C@@H]1CN=C(NN=C2CCCc3c4ccccc4sc32)N1 ZINC000779801683 628407594 /nfs/dbraw/zinc/40/75/94/628407594.db2.gz WMEFFXAZUVEMDH-SNVBAGLBSA-N 0 1 298.415 2.879 20 30 CFEDMN CCCCCOc1ccc(C=NNC2=NC[C@@H](C)N2)cc1 ZINC000779797722 628407700 /nfs/dbraw/zinc/40/77/00/628407700.db2.gz IPMROCHKJDYSQL-CYBMUJFWSA-N 0 1 288.395 2.527 20 30 CFEDMN C#C[C@](C)(CC)N[C@@H](C)C(=O)Nc1ccc(F)cc1F ZINC000852098971 634653419 /nfs/dbraw/zinc/65/34/19/634653419.db2.gz AFXNDWKYGQGQGI-ZUZCIYMTSA-N 0 1 280.318 2.683 20 30 CFEDMN C#C[C@](C)(CC)N[C@@H](C)C(=O)Nc1c(F)cccc1F ZINC000852099053 634653490 /nfs/dbraw/zinc/65/34/90/634653490.db2.gz CMPKEMHGNFCNLQ-ZUZCIYMTSA-N 0 1 280.318 2.683 20 30 CFEDMN COc1cccc(NN=Cc2cn(C)nc2C(C)(C)C)n1 ZINC000779817545 628410843 /nfs/dbraw/zinc/41/08/43/628410843.db2.gz ROXDNHZRQFCDES-UHFFFAOYSA-N 0 1 287.367 2.567 20 30 CFEDMN C#C[C@@](C)(CC)N[C@@H]1CCCN(c2ccccc2F)C1=O ZINC000852100241 634653949 /nfs/dbraw/zinc/65/39/49/634653949.db2.gz GIOBRCKQNVIEMF-PBHICJAKSA-N 0 1 288.366 2.713 20 30 CFEDMN Oc1ccc2c(c1)CCC2N=Nc1ccncc1Cl ZINC000780229039 628441021 /nfs/dbraw/zinc/44/10/21/628441021.db2.gz CAPJRKNCQVAWBD-UHFFFAOYSA-N 0 1 273.723 2.625 20 30 CFEDMN C#C[C@](C)(CC)NCC(=O)Nc1ccc(C)cc1Cl ZINC000852101459 634655770 /nfs/dbraw/zinc/65/57/70/634655770.db2.gz QMGCXLYWSUWJKP-OAHLLOKOSA-N 0 1 278.783 2.978 20 30 CFEDMN COc1ccc(N=NCc2cc(C)ccc2O)nc1 ZINC000780268726 628448573 /nfs/dbraw/zinc/44/85/73/628448573.db2.gz UFUWMPSXESUPAG-UHFFFAOYSA-N 0 1 257.293 2.550 20 30 CFEDMN COc1ccc(NN=C(C)c2cncc(C)c2)nc1 ZINC000780269771 628448903 /nfs/dbraw/zinc/44/89/03/628448903.db2.gz WXRFYPZKIWJPQC-UHFFFAOYSA-N 0 1 256.309 2.630 20 30 CFEDMN C#C[C@](C)(CC)NCc1ccc(C(=O)OC)cc1F ZINC000852102161 634656210 /nfs/dbraw/zinc/65/62/10/634656210.db2.gz WLQNJXSRBHRVSG-OAHLLOKOSA-N 0 1 263.312 2.504 20 30 CFEDMN COc1ccc(N=NC2CCOc3ccccc32)nc1 ZINC000780275134 628449442 /nfs/dbraw/zinc/44/94/42/628449442.db2.gz QOWKKZLXGPTGOA-UHFFFAOYSA-N 0 1 269.304 2.689 20 30 CFEDMN C#C[C@](C)(CC)NCC(=O)Nc1ccc(OC)c(Cl)c1 ZINC000852102178 634656290 /nfs/dbraw/zinc/65/62/90/634656290.db2.gz VXVPIVIVRWVMOQ-OAHLLOKOSA-N 0 1 294.782 2.679 20 30 CFEDMN C#CCCCCCC(=O)C(C#N)C(=O)NC1CCCCC1 ZINC000780305147 628453618 /nfs/dbraw/zinc/45/36/18/628453618.db2.gz DKJSJNPBBANLFL-OAHLLOKOSA-N 0 1 288.391 2.728 20 30 CFEDMN CC(=O)Oc1ccc(CN2CCC(C)(C#N)CC2)cc1 ZINC000780333353 628455759 /nfs/dbraw/zinc/45/57/59/628455759.db2.gz HWBHXRSFPIVZIF-UHFFFAOYSA-N 0 1 272.348 2.738 20 30 CFEDMN CC1(C#N)CCN(Cc2ccc3c(c2)COC3)CC1 ZINC000780332289 628456017 /nfs/dbraw/zinc/45/60/17/628456017.db2.gz DEPNRYWMAVITFX-UHFFFAOYSA-N 0 1 256.349 2.842 20 30 CFEDMN C#CCCCCCC(=O)NCc1nc2ccc(F)cc2[nH]1 ZINC000780596023 628481237 /nfs/dbraw/zinc/48/12/37/628481237.db2.gz GQPVMQHGRQTMCH-UHFFFAOYSA-N 0 1 287.338 2.902 20 30 CFEDMN C=C(Cl)CN[C@@H](C)c1ccc(-n2cncn2)cc1 ZINC000780826223 628499416 /nfs/dbraw/zinc/49/94/16/628499416.db2.gz XETVNEKQTNZQCV-NSHDSACASA-N 0 1 262.744 2.670 20 30 CFEDMN Cc1ccc(-c2cc(C(=O)N=C3C[C@@H](C)ON3)[nH]n2)cc1C ZINC000780975834 628510358 /nfs/dbraw/zinc/51/03/58/628510358.db2.gz RJLZGDXIDSVXEC-LLVKDONJSA-N 0 1 298.346 2.546 20 30 CFEDMN CC(N=Nc1ccnc(F)c1)c1ccc2c(c1)CCO2 ZINC000781126641 628523749 /nfs/dbraw/zinc/52/37/49/628523749.db2.gz DSYRPFIIZQESNL-UHFFFAOYSA-N 0 1 271.295 2.992 20 30 CFEDMN Clc1ccsc1C=NNc1ncnc2nc[nH]c21 ZINC000782207232 628614276 /nfs/dbraw/zinc/61/42/76/628614276.db2.gz UZPOJHCTOQQFDM-UHFFFAOYSA-N 0 1 278.728 2.514 20 30 CFEDMN Cc1cc(N=NCc2scnc2C2CC2)nc(C)n1 ZINC000782203562 628614325 /nfs/dbraw/zinc/61/43/25/628614325.db2.gz RBMCKCXWWUCDCP-UHFFFAOYSA-N 0 1 273.365 2.873 20 30 CFEDMN Cc1nc(Cl)cc(NN=Cc2ccc([N+](=O)[O-])s2)n1 ZINC000782225923 628616712 /nfs/dbraw/zinc/61/67/12/628616712.db2.gz JKJAHZLEOGQOOA-UHFFFAOYSA-N 0 1 297.727 2.854 20 30 CFEDMN C#CCOCCN1CCC[C@H]1c1ccc(F)cc1F ZINC000852147277 634671488 /nfs/dbraw/zinc/67/14/88/634671488.db2.gz AABCMUORBMVVHO-HNNXBMFYSA-N 0 1 265.303 2.752 20 30 CFEDMN CCCCCCNC(=O)C(C#N)C(=O)[C@H]1CCCCS1 ZINC000783346333 628700498 /nfs/dbraw/zinc/70/04/98/628700498.db2.gz DSOMCAMHNFJEEZ-QWHCGFSZSA-N 0 1 296.436 2.677 20 30 CFEDMN Fc1cc(Cl)ccc1C=NNC1=N[C@H]2CCCC[C@@H]2N1 ZINC000783522626 628716523 /nfs/dbraw/zinc/71/65/23/628716523.db2.gz WARWOLYICMSVLA-STQMWFEESA-N 0 1 294.761 2.673 20 30 CFEDMN Cc1nn(-c2ccncc2)cc1C=NNCCC(C)(C)C ZINC000783862310 628750829 /nfs/dbraw/zinc/75/08/29/628750829.db2.gz RBYNJAWLZLJJCW-UHFFFAOYSA-N 0 1 285.395 2.935 20 30 CFEDMN C=CCCN(OCc1ccccc1)C(=O)c1cnc[nH]1 ZINC000783874299 628752352 /nfs/dbraw/zinc/75/23/52/628752352.db2.gz IWOFRHQYAFXZNL-UHFFFAOYSA-N 0 1 271.320 2.560 20 30 CFEDMN Cc1cccc(NC(=O)C(C#N)C(=O)[C@H](F)C(C)C)c1 ZINC000784491734 628820962 /nfs/dbraw/zinc/82/09/62/628820962.db2.gz YLFLOUZXQYDTIB-CHWSQXEVSA-N 0 1 276.311 2.637 20 30 CFEDMN CC(C)(C#N)CCCOC(=O)c1ccc(-c2nnc[nH]2)cc1 ZINC000784783623 628841766 /nfs/dbraw/zinc/84/17/66/628841766.db2.gz IMPPQUURSBZGET-UHFFFAOYSA-N 0 1 298.346 2.958 20 30 CFEDMN CC[C@H](C)CCCCC(=O)C(C#N)C(=O)N1CCCC1 ZINC000784834672 628844211 /nfs/dbraw/zinc/84/42/11/628844211.db2.gz MOYJNTIBZHUSAA-UONOGXRCSA-N 0 1 278.396 2.924 20 30 CFEDMN CC[C@@H](C)CCCCC(=O)C(C#N)C(=O)NC1CC1 ZINC000784827841 628844265 /nfs/dbraw/zinc/84/42/65/628844265.db2.gz ABHSSCBYUXLDHN-DGCLKSJQSA-N 0 1 264.369 2.580 20 30 CFEDMN CC1(C)CN(Cc2ccc(OCC#N)cc2)CC(C)(C)O1 ZINC000785519342 628891472 /nfs/dbraw/zinc/89/14/72/628891472.db2.gz GBHBBJGIFZPPPM-UHFFFAOYSA-N 0 1 288.391 2.978 20 30 CFEDMN C=C[C@H]1CCCCN1CC(=O)NCCCCCC ZINC000785997011 628929042 /nfs/dbraw/zinc/92/90/42/628929042.db2.gz JGXSNKOINLCJDV-AWEZNQCLSA-N 0 1 252.402 2.723 20 30 CFEDMN Oc1c(F)cc(C=NNC2CCCCC2)cc1F ZINC000786039553 628932021 /nfs/dbraw/zinc/93/20/21/628932021.db2.gz FCGWCJAPEHGUGM-UHFFFAOYSA-N 0 1 254.280 2.927 20 30 CFEDMN C(=NNC1CCCCC1)c1cc(-c2cccnc2)[nH]n1 ZINC000786040123 628932044 /nfs/dbraw/zinc/93/20/44/628932044.db2.gz JRWPCQQMJYSYHP-UHFFFAOYSA-N 0 1 269.352 2.728 20 30 CFEDMN O=[N+]([O-])c1ccc(O)cc1C=NNC1CCCCC1 ZINC000786043089 628932738 /nfs/dbraw/zinc/93/27/38/628932738.db2.gz HQQLSBIFCAGNRF-UHFFFAOYSA-N 0 1 263.297 2.557 20 30 CFEDMN C=CCCN(C)CN1C[C@@H](c2ccc(C)cc2)CC1=O ZINC000786100688 628937261 /nfs/dbraw/zinc/93/72/61/628937261.db2.gz DGMRMFTUDYHBID-INIZCTEOSA-N 0 1 272.392 2.776 20 30 CFEDMN Cc1cccc(CNC(=O)C(C#N)C(=O)[C@@H]2CC[C@@H](C)C2)c1 ZINC000786553085 628968250 /nfs/dbraw/zinc/96/82/50/628968250.db2.gz RZOKMVVBZAXEIO-FVQBIDKESA-N 0 1 298.386 2.756 20 30 CFEDMN N#C[C@]1(F)CCN(Cc2cccc(Br)c2O)C1 ZINC000786578669 628969515 /nfs/dbraw/zinc/96/95/15/628969515.db2.gz HSWQPLHSTKJGIZ-GFCCVEGCSA-N 0 1 299.143 2.592 20 30 CFEDMN CC[C@@H](NC(=O)C(C#N)C(=O)CC1CC1)c1ccccc1 ZINC000787043718 628990297 /nfs/dbraw/zinc/99/02/97/628990297.db2.gz BXXCASNRZOSDNL-HUUCEWRRSA-N 0 1 284.359 2.763 20 30 CFEDMN CC(=NNC1=N[C@H]2CCCC[C@@H]2N1)c1csc(Cl)c1 ZINC000787163489 628996971 /nfs/dbraw/zinc/99/69/71/628996971.db2.gz ROZUSNJXBCMSFQ-QWRGUYRKSA-N 0 1 296.827 2.986 20 30 CFEDMN C#Cc1ccc(CN[C@H](C)C(=O)Nc2ccccc2)cc1 ZINC000787772352 629033836 /nfs/dbraw/zinc/03/38/36/629033836.db2.gz KGIOZNLUKYIHMZ-CQSZACIVSA-N 0 1 278.355 2.785 20 30 CFEDMN CCC(N=Nc1ccc(F)cc1OC)c1cn[nH]c1 ZINC000789055232 629121201 /nfs/dbraw/zinc/12/12/01/629121201.db2.gz VNAJEASGWBZTFX-UHFFFAOYSA-N 0 1 262.288 2.784 20 30 CFEDMN N#Cc1ccc(O)c(NC(=O)[C@H]2CC(=O)c3ccccc32)c1 ZINC000789831669 629190601 /nfs/dbraw/zinc/19/06/01/629190601.db2.gz GDSLGRVWSFCNNA-ZDUSSCGKSA-N 0 1 292.294 2.573 20 30 CFEDMN Cc1ccc[nH+]c1[N-]N=Cc1n[nH]nc1-c1ccccc1 ZINC000790187351 629217175 /nfs/dbraw/zinc/21/71/75/629217175.db2.gz UKEVEKMIYDGPGX-UHFFFAOYSA-N 0 1 278.319 2.621 20 30 CFEDMN COC(=O)c1cc(C=N[N-]c2[nH+]cccc2C)oc1C ZINC000790186661 629217270 /nfs/dbraw/zinc/21/72/70/629217270.db2.gz ROGDVCIYBYZEMG-UHFFFAOYSA-N 0 1 273.292 2.524 20 30 CFEDMN COc1ccc(CN=Nc2ncccc2C)cc1O ZINC000790193564 629218930 /nfs/dbraw/zinc/21/89/30/629218930.db2.gz IBLMOXPOOSWPJM-UHFFFAOYSA-N 0 1 257.293 2.550 20 30 CFEDMN Cc1cc(C=NNC(=N)N)c(C)n1-c1ccc(Cl)cc1 ZINC000790272386 629224858 /nfs/dbraw/zinc/22/48/58/629224858.db2.gz DYFIVYBFSJBEGW-UHFFFAOYSA-N 0 1 289.770 2.565 20 30 CFEDMN CC(=NNc1ccc(Br)cn1)c1cc(C)on1 ZINC000790295798 629226228 /nfs/dbraw/zinc/22/62/28/629226228.db2.gz OMAOCGVMMODYJF-UHFFFAOYSA-N 0 1 295.140 2.977 20 30 CFEDMN COc1ccc(Cl)cc1C=N[N-]c1[nH+]ccn1C ZINC000790299923 629227892 /nfs/dbraw/zinc/22/78/92/629227892.db2.gz LXBLVKOMLWYQDM-UHFFFAOYSA-N 0 1 264.716 2.528 20 30 CFEDMN CCOc1ccc(C(C)=NNc2nccn2C)cc1 ZINC000790302716 629228134 /nfs/dbraw/zinc/22/81/34/629228134.db2.gz XSYRSDJNYOKIAI-UHFFFAOYSA-N 0 1 258.325 2.655 20 30 CFEDMN Cc1ncsc1C=NNc1cccc(F)c1[N+](=O)[O-] ZINC000790308484 629230140 /nfs/dbraw/zinc/23/01/40/629230140.db2.gz DLSXJTDUBNHDGP-UHFFFAOYSA-N 0 1 280.284 2.945 20 30 CFEDMN Cc1c(CN(C)CCCOc2ccc(C#N)cc2)cnn1C ZINC000790446406 629240142 /nfs/dbraw/zinc/24/01/42/629240142.db2.gz PGZGZOUWRFSANP-UHFFFAOYSA-N 0 1 298.390 2.501 20 30 CFEDMN C#C[C@H](CCC)N[C@@H](CCCC)C(=O)Nc1cc(C)on1 ZINC000790546857 629247143 /nfs/dbraw/zinc/24/71/43/629247143.db2.gz QHTUGMFMNIEZPG-KGLIPLIRSA-N 0 1 291.395 2.872 20 30 CFEDMN N#CC[C@H]1CCCN(C[C@@H](O)c2ccc(F)c(F)c2)C1 ZINC000852319924 634720645 /nfs/dbraw/zinc/72/06/45/634720645.db2.gz TYAVRZRLZNUMDM-IAQYHMDHSA-N 0 1 280.318 2.624 20 30 CFEDMN C#CCO[C@H](C)C(=O)C(C#N)c1nc2ccccc2s1 ZINC000835039275 629333045 /nfs/dbraw/zinc/33/30/45/629333045.db2.gz CQFUFLQJCFWCRA-GHMZBOCLSA-N 0 1 284.340 2.511 20 30 CFEDMN C#CCO[C@@H](C)C(=O)C(C#N)c1nc2ccccc2s1 ZINC000835039278 629333151 /nfs/dbraw/zinc/33/31/51/629333151.db2.gz CQFUFLQJCFWCRA-QWRGUYRKSA-N 0 1 284.340 2.511 20 30 CFEDMN C#CCCCN1CCCC[C@H]1C(=O)OCc1ccccc1 ZINC000791648750 629342021 /nfs/dbraw/zinc/34/20/21/629342021.db2.gz UGTABCCVUFFJMD-KRWDZBQOSA-N 0 1 285.387 2.998 20 30 CFEDMN CCC[C@@H]1CCC[C@H]1C(=O)C(C#N)C(=O)N1CCCC1 ZINC000835059068 629361732 /nfs/dbraw/zinc/36/17/32/629361732.db2.gz WKDQAOICURYSTJ-MGPQQGTHSA-N 0 1 276.380 2.534 20 30 CFEDMN CCc1ccc(NC(=O)C(C#N)C(=O)[C@@H]2C[C@H]2CC)cc1 ZINC000835061710 629364383 /nfs/dbraw/zinc/36/43/83/629364383.db2.gz JIZRHOHPWRTMGD-BPLDGKMQSA-N 0 1 284.359 2.942 20 30 CFEDMN CCc1ccc(NC(=O)C(C#N)C(=O)[C@@H]2CC2(F)F)cc1 ZINC000835062910 629367539 /nfs/dbraw/zinc/36/75/39/629367539.db2.gz STGKANMFNOVKML-RYUDHWBXSA-N 0 1 292.285 2.552 20 30 CFEDMN C=CCN(C[C@@H](O)c1cc2ccccc2o1)[C@H](C)COC ZINC000852356766 634731135 /nfs/dbraw/zinc/73/11/35/634731135.db2.gz NIZDNTPGXPGMAN-UKRRQHHQSA-N 0 1 289.375 2.989 20 30 CFEDMN C=CCN(C[C@@H](O)c1c(F)cccc1F)[C@@H](C)COC ZINC000852357807 634732452 /nfs/dbraw/zinc/73/24/52/634732452.db2.gz HWPBLFHXHQXGKF-SMDDNHRTSA-N 0 1 285.334 2.521 20 30 CFEDMN N#CC(C(=O)[C@H]1CCCOC1)c1nccc2ccccc21 ZINC000792094026 629397355 /nfs/dbraw/zinc/39/73/55/629397355.db2.gz MCAKCBJHMKXFCR-DZGCQCFKSA-N 0 1 280.327 2.838 20 30 CFEDMN CC(C)CO[C@@H](C)C(=O)C(C#N)c1cnc2ccccc2n1 ZINC000792110958 629399114 /nfs/dbraw/zinc/39/91/14/629399114.db2.gz VURYNPVUHJDFFI-QWHCGFSZSA-N 0 1 297.358 2.867 20 30 CFEDMN C=CCN(CCOC)Cc1ccc(N(C)C)c(F)c1 ZINC000792192370 629407399 /nfs/dbraw/zinc/40/73/99/629407399.db2.gz IZENJNWEIVVZDJ-UHFFFAOYSA-N 0 1 266.360 2.526 20 30 CFEDMN Cc1nc2ccc(C(=O)Nc3cc(C#N)ccc3O)cc2o1 ZINC000792275788 629416179 /nfs/dbraw/zinc/41/61/79/629416179.db2.gz KEDVMHPVSMDWPN-UHFFFAOYSA-N 0 1 293.282 2.966 20 30 CFEDMN N#C[C@H](OC(=O)c1ccc2cncn2c1)C1CCCCC1 ZINC000792552459 629433114 /nfs/dbraw/zinc/43/31/14/629433114.db2.gz KJWUTANHZJQFKT-HNNXBMFYSA-N 0 1 283.331 2.964 20 30 CFEDMN C=C(Cl)CNCc1ccc(Cl)cc1-n1cncn1 ZINC000793047511 629480145 /nfs/dbraw/zinc/48/01/45/629480145.db2.gz BEEDKCSKFRPWGL-UHFFFAOYSA-N 0 1 283.162 2.763 20 30 CFEDMN COc1cc(C=NN[C@@H](C)C(C)(C)C)cc([N+](=O)[O-])c1O ZINC000793113966 629488314 /nfs/dbraw/zinc/48/83/14/629488314.db2.gz IBMMVLUTMPYRMN-VIFPVBQESA-N 0 1 295.339 2.667 20 30 CFEDMN N#CC(C(=O)CC1OCCCO1)c1ccc2ccccc2n1 ZINC000793119535 629489955 /nfs/dbraw/zinc/48/99/55/629489955.db2.gz LXXBGZPZOJEVFT-CYBMUJFWSA-N 0 1 296.326 2.564 20 30 CFEDMN N#CC(C(=O)Cc1cc(F)c(F)cc1F)c1ccccn1 ZINC000793122452 629490043 /nfs/dbraw/zinc/49/00/43/629490043.db2.gz BZNMSEJZLGRRKC-SNVBAGLBSA-N 0 1 290.244 2.918 20 30 CFEDMN Clc1cccc(N=NCc2n[nH]nc2-c2ccccc2)n1 ZINC000793176080 629499563 /nfs/dbraw/zinc/49/95/63/629499563.db2.gz YFYPSLLJUHLYBM-UHFFFAOYSA-N 0 1 298.737 2.966 20 30 CFEDMN C#CCCCCCOC(=O)c1ccc2cncn2c1 ZINC000793193141 629503024 /nfs/dbraw/zinc/50/30/24/629503024.db2.gz ZPPRQBJMTRHGNH-UHFFFAOYSA-N 0 1 256.305 2.685 20 30 CFEDMN C=C[C@](C)(CCOC)COC(=O)c1ccc2cncn2c1 ZINC000793277497 629518378 /nfs/dbraw/zinc/51/83/78/629518378.db2.gz GXWJWGVKRRGSQW-MRXNPFEDSA-N 0 1 288.347 2.720 20 30 CFEDMN CN(CCC#N)c1ccc(CNCc2cccnc2F)cc1 ZINC000793284729 629520563 /nfs/dbraw/zinc/52/05/63/629520563.db2.gz JYGZFZOODQLONP-UHFFFAOYSA-N 0 1 298.365 2.860 20 30 CFEDMN CC(C)(CCC#N)COC(=O)c1ccc(-c2nnc[nH]2)cc1 ZINC000793324661 629527149 /nfs/dbraw/zinc/52/71/49/629527149.db2.gz JVLOTSFKVCEBDW-UHFFFAOYSA-N 0 1 298.346 2.958 20 30 CFEDMN C=CCC1(C(=O)OC[C@@H]2CN(C(C)C)CCO2)CCCC1 ZINC000835297714 629604308 /nfs/dbraw/zinc/60/43/08/629604308.db2.gz NUNRQMDRIGNFIB-HNNXBMFYSA-N 0 1 295.423 2.775 20 30 CFEDMN N#C[C@H](C(=O)C1(C2CCC2)CCC1)c1ccncn1 ZINC000835302530 629608633 /nfs/dbraw/zinc/60/86/33/629608633.db2.gz LNRLAVNEGLPDCK-LBPRGKRZSA-N 0 1 255.321 2.623 20 30 CFEDMN CCCCCCCC(=O)NCC[N@@H+]1CC=CCC1 ZINC000794118620 629614443 /nfs/dbraw/zinc/61/44/43/629614443.db2.gz MSMYTHCZTVGYGD-UHFFFAOYSA-N 0 1 252.402 2.725 20 30 CFEDMN CCCCCCCC(=O)NCCN1CC=CCC1 ZINC000794118620 629614444 /nfs/dbraw/zinc/61/44/44/629614444.db2.gz MSMYTHCZTVGYGD-UHFFFAOYSA-N 0 1 252.402 2.725 20 30 CFEDMN CCc1cccc(F)c1C=N[N-]c1[nH+]cnc2c1cnn2C ZINC000794493286 629650869 /nfs/dbraw/zinc/65/08/69/629650869.db2.gz CSZKOTZVXUGUJM-UHFFFAOYSA-N 0 1 298.325 2.511 20 30 CFEDMN C#CCCCSc1nc(Cc2ccccc2)n[nH]1 ZINC000794558214 629660645 /nfs/dbraw/zinc/66/06/45/629660645.db2.gz YVWVXCHYJHBQCY-UHFFFAOYSA-N 0 1 257.362 2.901 20 30 CFEDMN C#CCCCSc1n[nH]c(Cc2ccccc2)n1 ZINC000794558214 629660647 /nfs/dbraw/zinc/66/06/47/629660647.db2.gz YVWVXCHYJHBQCY-UHFFFAOYSA-N 0 1 257.362 2.901 20 30 CFEDMN CSCCON=C(C)c1ccc(N2CCOCC2)cc1 ZINC000794576587 629663964 /nfs/dbraw/zinc/66/39/64/629663964.db2.gz JJQITXKFIQTQGH-UHFFFAOYSA-N 0 1 294.420 2.627 20 30 CFEDMN CC(=NNc1cc(F)c(F)cc1F)c1cn[nH]c1 ZINC000794852449 629694522 /nfs/dbraw/zinc/69/45/22/629694522.db2.gz WNBHKYGSGXCACN-UHFFFAOYSA-N 0 1 254.215 2.663 20 30 CFEDMN CC(=NNc1ccc([N+](=O)[O-])cc1Cl)c1cn[nH]c1 ZINC000794856534 629696233 /nfs/dbraw/zinc/69/62/33/629696233.db2.gz HPQOMGITTJCJLZ-UHFFFAOYSA-N 0 1 279.687 2.807 20 30 CFEDMN Cn1ccnc1NN=C1c2ccccc2CC12CCOCC2 ZINC000794937109 629706962 /nfs/dbraw/zinc/70/69/62/629706962.db2.gz UJTYDYJARHYRHM-UHFFFAOYSA-N 0 1 296.374 2.589 20 30 CFEDMN Cc1ccc(C=NNc2cncnc2)c(-c2ccnn2C)c1 ZINC000794979051 629715072 /nfs/dbraw/zinc/71/50/72/629715072.db2.gz AXKUOOAFAJNISK-UHFFFAOYSA-N 0 1 292.346 2.632 20 30 CFEDMN FC(F)(F)c1ccc(C=NNc2cncnc2)cc1 ZINC000794979278 629715734 /nfs/dbraw/zinc/71/57/34/629715734.db2.gz USSWRQSVAPBVPZ-UHFFFAOYSA-N 0 1 266.226 2.941 20 30 CFEDMN Brc1ccc(CN=Nc2cncnc2)s1 ZINC000794979553 629716055 /nfs/dbraw/zinc/71/60/55/629716055.db2.gz ZBQDBJGVRKNZHS-UHFFFAOYSA-N 0 1 283.154 2.747 20 30 CFEDMN Fc1ccc(CN=Nc2cncnc2)cc1Br ZINC000794979602 629716134 /nfs/dbraw/zinc/71/61/34/629716134.db2.gz JSMLZVPKFHXXTO-UHFFFAOYSA-N 0 1 295.115 2.824 20 30 CFEDMN Fc1ccc(-n2cc(C=NNc3cccc(F)n3)cn2)cc1 ZINC000795006323 629722388 /nfs/dbraw/zinc/72/23/88/629722388.db2.gz MOADGLYTRYCTOH-UHFFFAOYSA-N 0 1 299.284 2.992 20 30 CFEDMN Fc1cccc(NN=C2COCc3ccccc32)n1 ZINC000795008870 629723699 /nfs/dbraw/zinc/72/36/99/629723699.db2.gz QOYMZHCZHZCFAI-UHFFFAOYSA-N 0 1 257.268 2.567 20 30 CFEDMN CCCCCCN1CCN(c2cnccc2C#N)CC1 ZINC000795040737 629728175 /nfs/dbraw/zinc/72/81/75/629728175.db2.gz FSSYKHVZHUTICF-UHFFFAOYSA-N 0 1 272.396 2.656 20 30 CFEDMN C#CCCN1CCN(c2ccc(Br)cc2)CC1 ZINC000852488948 634759992 /nfs/dbraw/zinc/75/99/92/634759992.db2.gz DMPSJDAMVHGMEW-UHFFFAOYSA-N 0 1 293.208 2.594 20 30 CFEDMN C=CCCCCCN(C)CN1C[C@@H](C(F)F)CC1=O ZINC000795432472 629776774 /nfs/dbraw/zinc/77/67/74/629776774.db2.gz OBZPSMBODYTSQD-LBPRGKRZSA-N 0 1 274.355 2.736 20 30 CFEDMN CN(Cc1cc(Cl)ccc1OCC#N)[C@@H]1CCCOC1 ZINC000796199072 629888152 /nfs/dbraw/zinc/88/81/52/629888152.db2.gz NLQAHUJYYXDBKR-CQSZACIVSA-N 0 1 294.782 2.853 20 30 CFEDMN C#CCOc1ccc(CNCc2cnn3ccccc23)cc1 ZINC000796478788 629924114 /nfs/dbraw/zinc/92/41/14/629924114.db2.gz BYNRUDIYUPZKAW-UHFFFAOYSA-N 0 1 291.354 2.636 20 30 CFEDMN N#CC(C(=O)[C@@H]1Cc2ccc(F)cc21)c1ccccn1 ZINC000796634370 629943845 /nfs/dbraw/zinc/94/38/45/629943845.db2.gz VPILEQKHUYXMQJ-ZIAGYGMSSA-N 0 1 266.275 2.737 20 30 CFEDMN CC#CCN1CCC[C@@H]1COC(=O)NC1CCCCC1 ZINC000796684379 629950168 /nfs/dbraw/zinc/95/01/68/629950168.db2.gz STCCNFYUIAXPKX-OAHLLOKOSA-N 0 1 278.396 2.533 20 30 CFEDMN CC1(C)CC(CC(=O)[C@H](C#N)C(=O)NC2CCCC2)C1 ZINC000796757489 629960740 /nfs/dbraw/zinc/96/07/40/629960740.db2.gz YAUQMLFOAHGLTC-ZDUSSCGKSA-N 0 1 276.380 2.580 20 30 CFEDMN CC1(C)CC(CC(=O)C(C#N)C(=O)Nc2ccccn2)C1 ZINC000796774376 629963930 /nfs/dbraw/zinc/96/39/30/629963930.db2.gz DXCIQWHLKHNLDN-LBPRGKRZSA-N 0 1 285.347 2.555 20 30 CFEDMN C#CCN1CCC[C@@H]1COC(=O)[C@@H]1[C@@H](C)[C@@H]1c1ccccc1 ZINC000797554451 630078915 /nfs/dbraw/zinc/07/89/15/630078915.db2.gz VBYCQKUVTLKLNH-DZOHQFGASA-N 0 1 297.398 2.677 20 30 CFEDMN N#C[C@H](C(=O)C[C@H]1CCC(F)(F)C1)C(=O)NC1CCCC1 ZINC000797942413 630128266 /nfs/dbraw/zinc/12/82/66/630128266.db2.gz DXBNDLNWAQVOEA-ZYHUDNBSSA-N 0 1 298.333 2.580 20 30 CFEDMN C#C[C@H](NC(=O)[C@@H]1CCCCN1Cc1ccccc1)C(C)C ZINC000799046307 630269986 /nfs/dbraw/zinc/26/99/86/630269986.db2.gz HMHYUWMZQAFSIG-ROUUACIJSA-N 0 1 298.430 2.815 20 30 CFEDMN Cc1nn(C(C)C)cc1CN=Nc1ccc(F)cn1 ZINC000799109688 630275702 /nfs/dbraw/zinc/27/57/02/630275702.db2.gz JFOMXCOAXIRZKG-UHFFFAOYSA-N 0 1 261.304 2.753 20 30 CFEDMN Fc1cccc(CNN=Cc2cc(C(F)(F)F)n[nH]2)c1 ZINC000799477611 630312447 /nfs/dbraw/zinc/31/24/47/630312447.db2.gz WVWYHYSIBNGSOH-UHFFFAOYSA-N 0 1 286.232 2.691 20 30 CFEDMN FC(F)(F)c1cc(C=NNCCCc2ccccc2)[nH]n1 ZINC000799480241 630312931 /nfs/dbraw/zinc/31/29/31/630312931.db2.gz QUGSECJAOBZATM-UHFFFAOYSA-N 0 1 296.296 2.985 20 30 CFEDMN CCC(CC)CNN=Cc1cc(C(F)(F)F)n[nH]1 ZINC000799484816 630313859 /nfs/dbraw/zinc/31/38/59/630313859.db2.gz IXVMQNIMCXRROC-UHFFFAOYSA-N 0 1 262.279 2.788 20 30 CFEDMN CC(N=Nc1cnn(C)c1)c1cnn(C2CCCC2)c1 ZINC000799886452 630352214 /nfs/dbraw/zinc/35/22/14/630352214.db2.gz QWKXUDPYKKYMPY-UHFFFAOYSA-N 0 1 272.356 2.568 20 30 CFEDMN CCCCCNC(=O)C(C#N)C(=O)[C@H](C)CCCC ZINC000800385368 630376077 /nfs/dbraw/zinc/37/60/77/630376077.db2.gz XNIJFKBSPCXLIC-CHWSQXEVSA-N 0 1 266.385 2.828 20 30 CFEDMN CC(C)(C)C(=O)CCN1CCC(C#N)(c2ccccn2)CC1 ZINC000800411365 630380235 /nfs/dbraw/zinc/38/02/35/630380235.db2.gz SRRBHZIFSXVVRL-UHFFFAOYSA-N 0 1 299.418 2.944 20 30 CFEDMN C#CCN(CC)C[C@H](OC)c1ccc(Cl)cc1 ZINC000801519392 630452409 /nfs/dbraw/zinc/45/24/09/630452409.db2.gz NDMARCMWGDPHJP-AWEZNQCLSA-N 0 1 251.757 2.983 20 30 CFEDMN COc1ccc(Cl)cc1CN(C)CCO[C@@H](C)C#N ZINC000801910193 630485373 /nfs/dbraw/zinc/48/53/73/630485373.db2.gz NOFLLLGGJHMJQB-NSHDSACASA-N 0 1 282.771 2.709 20 30 CFEDMN CC(C)N(CCO[C@H](C)C#N)Cc1ccccc1F ZINC000801914610 630486871 /nfs/dbraw/zinc/48/68/71/630486871.db2.gz YPYKYKXWFYCSRX-CYBMUJFWSA-N 0 1 264.344 2.965 20 30 CFEDMN C[C@H](C#N)OCCN[C@H](c1ccccc1)c1ccccn1 ZINC000801929446 630490185 /nfs/dbraw/zinc/49/01/85/630490185.db2.gz NYCCBSCJYOKKEX-RHSMWYFYSA-N 0 1 281.359 2.689 20 30 CFEDMN C[C@H](C#N)OCCN1CCC[C@H]1CC(=O)c1cccs1 ZINC000801933580 630490666 /nfs/dbraw/zinc/49/06/66/630490666.db2.gz AHRKYUVOEYHXHY-OLZOCXBDSA-N 0 1 292.404 2.714 20 30 CFEDMN Cc1csc(C2(NCCO[C@H](C)C#N)CCCC2)n1 ZINC000801933717 630490702 /nfs/dbraw/zinc/49/07/02/630490702.db2.gz CIVLRNDVRIFIQY-GFCCVEGCSA-N 0 1 279.409 2.739 20 30 CFEDMN C#CCCN(CC#Cc1cccc(Cl)c1)CCOC ZINC000852750719 634824304 /nfs/dbraw/zinc/82/43/04/634824304.db2.gz CWODSHAANLNNIR-UHFFFAOYSA-N 0 1 275.779 2.663 20 30 CFEDMN C=CCCCCCCNC(=O)N1CCN(C(C)C)CC1 ZINC000807571876 630894467 /nfs/dbraw/zinc/89/44/67/630894467.db2.gz RSHJHEYWZDMGRQ-UHFFFAOYSA-N 0 1 281.444 2.859 20 30 CFEDMN CCO[C@@H]1CC(=NN=c2[nH]c3ccccc3[nH]2)[C@H]1SC ZINC000807945714 630925112 /nfs/dbraw/zinc/92/51/12/630925112.db2.gz HLNKVPMRKPFUJM-CHWSQXEVSA-N 0 1 290.392 2.871 20 30 CFEDMN Nc1ccc(C=[NH+][N-]c2ncccc2C(F)(F)F)cn1 ZINC000807962899 630927170 /nfs/dbraw/zinc/92/71/70/630927170.db2.gz JPUAUIRVNVROKZ-UHFFFAOYSA-N 0 1 281.241 2.524 20 30 CFEDMN CC(N=Nc1nc[nH]n1)c1ccc(Cl)c(Cl)c1O ZINC000807996503 630935098 /nfs/dbraw/zinc/93/50/98/630935098.db2.gz WCTFXULHFXCSMT-UHFFFAOYSA-N 0 1 286.122 2.653 20 30 CFEDMN CCN(CC)c1ccc(C=NN[C@H]2CCSC2)c(O)c1 ZINC000808001185 630936494 /nfs/dbraw/zinc/93/64/94/630936494.db2.gz GQKMUYXNKAGJEB-ZDUSSCGKSA-N 0 1 293.436 2.667 20 30 CFEDMN CC(C)C[C@H](C)CC(=O)C(C#N)C(=O)Nc1ccccn1 ZINC000102707929 630954060 /nfs/dbraw/zinc/95/40/60/630954060.db2.gz PLMJVDXVMZGHTC-STQMWFEESA-N 0 1 287.363 2.801 20 30 CFEDMN C#CCOc1cccc(Cl)c1CNCC1=CCCOC1 ZINC000808429838 630990954 /nfs/dbraw/zinc/99/09/54/630990954.db2.gz JBBBBFYLUIUFEN-UHFFFAOYSA-N 0 1 291.778 2.788 20 30 CFEDMN Cc1nc2ccc(NC(=O)C#CC(C)(C)C)cc2[nH]1 ZINC000837322484 630997472 /nfs/dbraw/zinc/99/74/72/630997472.db2.gz PPSHWBWELBXTRV-UHFFFAOYSA-N 0 1 255.321 2.859 20 30 CFEDMN C=C(CC)COC(=O)c1[nH]nc2c1cccc2OC ZINC000808676999 631026507 /nfs/dbraw/zinc/02/65/07/631026507.db2.gz VIZVTOASJUUTRB-UHFFFAOYSA-N 0 1 260.293 2.695 20 30 CFEDMN Cc1cc2[nH]ncc2cc1NC(=O)C#CC(C)(C)C ZINC000837577901 631074715 /nfs/dbraw/zinc/07/47/15/631074715.db2.gz GHPMNGOYKKWWNH-UHFFFAOYSA-N 0 1 255.321 2.859 20 30 CFEDMN CC[C@@H](C(=O)OC[C@H]1CC[C@@H](C#N)CC1)N(CC)CC ZINC000809086959 631074918 /nfs/dbraw/zinc/07/49/18/631074918.db2.gz KGKOPSDIZYKWGT-ZNMIVQPWSA-N 0 1 280.412 2.980 20 30 CFEDMN C#Cc1cccc(NC(=O)c2n[nH]c3c2cccc3OC)c1 ZINC000809142746 631088923 /nfs/dbraw/zinc/08/89/23/631088923.db2.gz DOQXAWAZZSCQOF-UHFFFAOYSA-N 0 1 291.310 2.805 20 30 CFEDMN C#Cc1ccc(CN2CCC[C@@H]2C(=O)N(CC)CC)cc1 ZINC000809552566 631233648 /nfs/dbraw/zinc/23/36/48/631233648.db2.gz NJNSMAAXDSDKLP-QGZVFWFLSA-N 0 1 284.403 2.501 20 30 CFEDMN C[C@@H](O)c1ncc(CN[C@@H]2CCc3cc(C#N)ccc32)s1 ZINC000809656247 631256819 /nfs/dbraw/zinc/25/68/19/631256819.db2.gz SSUJIPAPOZDCAM-MEBBXXQBSA-N 0 1 299.399 2.845 20 30 CFEDMN C#Cc1ccc(CN2C[C@@H](C)O[C@H](C3CC3)C2)cc1 ZINC000809656821 631258104 /nfs/dbraw/zinc/25/81/04/631258104.db2.gz LLZPVNOXALSEET-DYVFJYSZSA-N 0 1 255.361 2.667 20 30 CFEDMN C#CC[C@@H](NCc1cnc(CC)nc1)c1ccccc1 ZINC000840908679 631258743 /nfs/dbraw/zinc/25/87/43/631258743.db2.gz YHTKEMDOXYGLGO-MRXNPFEDSA-N 0 1 265.360 2.893 20 30 CFEDMN C#C[C@H](C)NCc1ccc(-c2ccccc2[N+](=O)[O-])o1 ZINC000809683010 631260153 /nfs/dbraw/zinc/26/01/53/631260153.db2.gz LYCZUWRTUMQPLD-NSHDSACASA-N 0 1 270.288 2.966 20 30 CFEDMN C#C[C@@H](C)NCc1c(C)nn(Cc2ccccc2)c1C ZINC000809683026 631260486 /nfs/dbraw/zinc/26/04/86/631260486.db2.gz MJALDJYCBHNCNZ-CYBMUJFWSA-N 0 1 267.376 2.660 20 30 CFEDMN C#C[C@H](C)NCc1cnc2c(C)cc(Br)cn12 ZINC000809683668 631261244 /nfs/dbraw/zinc/26/12/44/631261244.db2.gz JJJCOBQROSKCIS-JTQLQIEISA-N 0 1 292.180 2.517 20 30 CFEDMN C#C[C@H](NCc1cc(OC)cc2c1O[C@H](C)C2)C(C)C ZINC000809685639 631262316 /nfs/dbraw/zinc/26/23/16/631262316.db2.gz GTMTZJPAQPYGQO-WBMJQRKESA-N 0 1 273.376 2.766 20 30 CFEDMN C#C[C@@H](CC)NCc1cc(C(=O)OC)ccc1Cl ZINC000809686372 631262898 /nfs/dbraw/zinc/26/28/98/631262898.db2.gz OSCSOEWOOBOSRS-LBPRGKRZSA-N 0 1 265.740 2.628 20 30 CFEDMN C=C(C)CN(Cc1ccc(CO)o1)C[C@H]1CCC=CO1 ZINC000809702854 631268431 /nfs/dbraw/zinc/26/84/31/631268431.db2.gz ZKCBGCBJYYMCOE-CQSZACIVSA-N 0 1 277.364 2.843 20 30 CFEDMN N#Cc1csc(CN[C@@H]2Cc3ccc(Cl)cc3C2)n1 ZINC000810155621 631337308 /nfs/dbraw/zinc/33/73/08/631337308.db2.gz AMMVQTOGCKMONL-GFCCVEGCSA-N 0 1 289.791 2.925 20 30 CFEDMN C[C@H]1CC(N=Nc2ccccc2Cl)c2ncnn21 ZINC000841603803 631428412 /nfs/dbraw/zinc/42/84/12/631428412.db2.gz RMLQSOPMEFCVLD-QMMMGPOBSA-N 0 1 261.716 2.712 20 30 CFEDMN C=CC[C@H](CO)[NH2+][C@H](C)c1ccc(Cl)cc1[O-] ZINC000841753623 631466412 /nfs/dbraw/zinc/46/64/12/631466412.db2.gz MBOGLZWOIXXNQC-MWLCHTKSSA-N 0 1 255.745 2.633 20 30 CFEDMN CCOc1ccc(CNCC2(C#N)CCC2)c(O)c1 ZINC000841898876 631491121 /nfs/dbraw/zinc/49/11/21/631491121.db2.gz PVVODAJCDWNGPT-UHFFFAOYSA-N 0 1 260.337 2.574 20 30 CFEDMN C[C@H](CC(=O)N(C)c1ccccc1)NCC1(C#N)CCC1 ZINC000841899088 631491168 /nfs/dbraw/zinc/49/11/68/631491168.db2.gz SFCIRQXGOJXWCK-CQSZACIVSA-N 0 1 285.391 2.711 20 30 CFEDMN C[C@H](CC(=O)Nc1cccc(F)c1)NCC1(C#N)CCC1 ZINC000841899639 631491592 /nfs/dbraw/zinc/49/15/92/631491592.db2.gz XIFMFRGNLSQZPZ-GFCCVEGCSA-N 0 1 289.354 2.826 20 30 CFEDMN CN(CCON=C(N)c1cccs1)Cc1ccccc1 ZINC000842019825 631501373 /nfs/dbraw/zinc/50/13/73/631501373.db2.gz ZXFDOKBCGKRNLY-UHFFFAOYSA-N 0 1 289.404 2.517 20 30 CFEDMN CC[C@H](CC1CCCC1)C(=O)C(C#N)C(=O)N1CCCC1 ZINC000842285079 631578903 /nfs/dbraw/zinc/57/89/03/631578903.db2.gz MUMUGRMVRZGJCI-HUUCEWRRSA-N 0 1 290.407 2.924 20 30 CFEDMN CCO[C@@H](CC)C(=O)[C@H](C#N)c1nc2cccc(C)c2[nH]1 ZINC000842308212 631584331 /nfs/dbraw/zinc/58/43/31/631584331.db2.gz SDSLXKMHSHPXOP-AAEUAGOBSA-N 0 1 285.347 2.863 20 30 CFEDMN Cn1cc(N=NCc2ncc(-c3ccccc3)s2)cn1 ZINC000811649073 631592591 /nfs/dbraw/zinc/59/25/91/631592591.db2.gz AECQGYYYXNHUKF-UHFFFAOYSA-N 0 1 283.360 2.990 20 30 CFEDMN CC(C)Cn1nccc1CN=Nc1ccc(F)cn1 ZINC000842528126 631653007 /nfs/dbraw/zinc/65/30/07/631653007.db2.gz OWXZKFWYFKUPGN-UHFFFAOYSA-N 0 1 261.304 2.519 20 30 CFEDMN Oc1c(F)cc(Cl)cc1C=NNC12CC(C1)C2 ZINC000842546922 631662309 /nfs/dbraw/zinc/66/23/09/631662309.db2.gz YZYWKJKPXFKEGJ-UHFFFAOYSA-N 0 1 254.692 2.661 20 30 CFEDMN CC(=NN=c1[nH]ccc2sccc21)c1cc(CO)on1 ZINC000812226978 631670824 /nfs/dbraw/zinc/67/08/24/631670824.db2.gz NKRPWGOWMJHOBP-UHFFFAOYSA-N 0 1 288.332 2.613 20 30 CFEDMN CC(=NNc1nccc2sccc21)c1cc(CO)on1 ZINC000812226978 631670826 /nfs/dbraw/zinc/67/08/26/631670826.db2.gz NKRPWGOWMJHOBP-UHFFFAOYSA-N 0 1 288.332 2.613 20 30 CFEDMN C=CCCN(C)CN1C[C@@](C)(Cc2ccccc2)CC1=O ZINC000842604180 631678511 /nfs/dbraw/zinc/67/85/11/631678511.db2.gz YYRACIYAQNSSCV-SFHVURJKSA-N 0 1 286.419 2.933 20 30 CFEDMN C#CC[C@@H]1CCCN(CN2C[C@H](CC(C)(C)C)CC2=O)C1 ZINC000842628811 631685372 /nfs/dbraw/zinc/68/53/72/631685372.db2.gz GWFPOQONLGYMBS-CVEARBPZSA-N 0 1 290.451 2.964 20 30 CFEDMN CCN(C[C@H](C)OC)Cn1ccc(-c2ccc(C#N)cc2)n1 ZINC000812303333 631686803 /nfs/dbraw/zinc/68/68/03/631686803.db2.gz OTSFMYSAGHJDMT-AWEZNQCLSA-N 0 1 298.390 2.736 20 30 CFEDMN C#C[C@H](NC(=O)[C@@H]1CCCCN1C)c1ccc(Cl)cc1 ZINC000812353940 631695081 /nfs/dbraw/zinc/69/50/81/631695081.db2.gz CVLBPXCTHMFQNP-GJZGRUSLSA-N 0 1 290.794 2.615 20 30 CFEDMN COc1ccc(-c2n[nH]cc2CN=Nc2ccccn2)cc1 ZINC000812396196 631700110 /nfs/dbraw/zinc/70/01/10/631700110.db2.gz MPJVHNNUMZWWTL-UHFFFAOYSA-N 0 1 293.330 2.926 20 30 CFEDMN CCC[C@@H](C)CC(=O)C(C#N)C(=O)Nc1ccccn1 ZINC000155497659 650022824 /nfs/dbraw/zinc/02/28/24/650022824.db2.gz CFOSANPCWJGXBC-VXGBXAGGSA-N 0 1 273.336 2.555 20 30 CFEDMN CC(C)=CCC[C@@H](C)CC(=O)[C@@H](C#N)C(=O)NC(C)C ZINC000842689784 631708196 /nfs/dbraw/zinc/70/81/96/631708196.db2.gz FBQRDBSRWCPOSB-ZIAGYGMSSA-N 0 1 278.396 2.992 20 30 CFEDMN N#C[C@H](C(=O)[C@@H]1CCCC[C@@H]1C1CC1)c1ccncn1 ZINC000842759391 631731757 /nfs/dbraw/zinc/73/17/57/631731757.db2.gz VVNORAZDEMJGSB-MCIONIFRSA-N 0 1 269.348 2.869 20 30 CFEDMN CC1(C)[C@@H](O)CCN1Cc1cc(Cl)ccc1OCC#N ZINC000812869412 631799343 /nfs/dbraw/zinc/79/93/43/631799343.db2.gz ZMGCJSSYNHTYNC-AWEZNQCLSA-N 0 1 294.782 2.588 20 30 CFEDMN N#C[C@@H](C(=O)[C@@H]1CCCOC1)c1cc(C(F)(F)F)ccn1 ZINC000813218100 631882642 /nfs/dbraw/zinc/88/26/42/631882642.db2.gz MBGMCIWGMGRNHK-MWLCHTKSSA-N 0 1 298.264 2.703 20 30 CFEDMN C#C[C@H](CC)NCc1cnn(-c2ccccc2C)c1 ZINC000843409268 631946077 /nfs/dbraw/zinc/94/60/77/631946077.db2.gz QDXAJVSVFCBTMF-OAHLLOKOSA-N 0 1 253.349 2.682 20 30 CFEDMN O=C(/C=C/c1cnn(CC(F)F)c1)c1ccccc1O ZINC000814190985 632029081 /nfs/dbraw/zinc/02/90/81/632029081.db2.gz XPLKBGFCRNHCBZ-AATRIKPKSA-N 0 1 278.258 2.750 20 30 CFEDMN Cc1nnsc1CN=Nc1c(F)cccc1F ZINC000814223210 632040945 /nfs/dbraw/zinc/04/09/45/632040945.db2.gz ODJQPVMRHYBJGS-UHFFFAOYSA-N 0 1 254.265 2.571 20 30 CFEDMN C[C@H]1CN(Cc2ccccc2)CC1=NOCC1CC1 ZINC000814243016 632043752 /nfs/dbraw/zinc/04/37/52/632043752.db2.gz AWWLDLVRMNJAGS-ZDUSSCGKSA-N 0 1 258.365 2.921 20 30 CFEDMN C=C(C)[C@@H](CC(=O)OCc1nnc(C(C)(C)C)[nH]1)OCC ZINC000814461763 632069642 /nfs/dbraw/zinc/06/96/42/632069642.db2.gz DNVYBPWXFJNMJI-LLVKDONJSA-N 0 1 295.383 2.517 20 30 CFEDMN C=C(C)[C@@H](CC(=O)OCc1n[nH]c(C(C)(C)C)n1)OCC ZINC000814461763 632069645 /nfs/dbraw/zinc/06/96/45/632069645.db2.gz DNVYBPWXFJNMJI-LLVKDONJSA-N 0 1 295.383 2.517 20 30 CFEDMN C=C(C)C[C@@H](C)C(=O)OCc1nnc(C(C)(C)C)[nH]1 ZINC000814465099 632070947 /nfs/dbraw/zinc/07/09/47/632070947.db2.gz DHXLXLTZJNUOKT-SNVBAGLBSA-N 0 1 265.357 2.748 20 30 CFEDMN C=C(C)C[C@@H](C)C(=O)OCc1n[nH]c(C(C)(C)C)n1 ZINC000814465099 632070950 /nfs/dbraw/zinc/07/09/50/632070950.db2.gz DHXLXLTZJNUOKT-SNVBAGLBSA-N 0 1 265.357 2.748 20 30 CFEDMN Nc1ccc2c(c1)C(=[NH+][N-]c1ccccn1)CCC2 ZINC000814731969 632115399 /nfs/dbraw/zinc/11/53/99/632115399.db2.gz RIFPVHJJBPTXIA-UHFFFAOYSA-N 0 1 252.321 2.816 20 30 CFEDMN C=C(Br)CNCc1ccc2c(c1)CCO2 ZINC000105453241 632135464 /nfs/dbraw/zinc/13/54/64/632135464.db2.gz AGZCQJSYWNMRIT-UHFFFAOYSA-N 0 1 268.154 2.620 20 30 CFEDMN Cc1cc(=NN=Cc2ncc(C(C)(C)C)s2)nc[nH]1 ZINC000814846321 632136843 /nfs/dbraw/zinc/13/68/43/632136843.db2.gz MXGLHUZQLSPEKI-UHFFFAOYSA-N 0 1 275.381 2.985 20 30 CFEDMN CC(=[NH+][N-]c1ccc(F)cn1)c1cc(N)ccc1F ZINC000814843090 632137001 /nfs/dbraw/zinc/13/70/01/632137001.db2.gz YWTGPPFJNPVJCL-UHFFFAOYSA-N 0 1 262.263 2.778 20 30 CFEDMN CC(C)CNN=C1CC(C)(C)Oc2ccc(N)cc21 ZINC000814891913 632151787 /nfs/dbraw/zinc/15/17/87/632151787.db2.gz DIJROZYFMYQRGS-UHFFFAOYSA-N 0 1 261.369 2.780 20 30 CFEDMN C[C@H]1C(N=Nc2ccncc2)CCCN1Cc1ccccc1 ZINC000814899636 632154751 /nfs/dbraw/zinc/15/47/51/632154751.db2.gz GHFBGKMUELVSPV-HNNXBMFYSA-N 0 1 294.402 2.956 20 30 CFEDMN CC(N=Nc1ccnc(F)c1)c1cccc(CO)c1 ZINC000814902602 632156658 /nfs/dbraw/zinc/15/66/58/632156658.db2.gz QKOISMQHVZHURX-UHFFFAOYSA-N 0 1 259.284 2.549 20 30 CFEDMN C[C@@H]1C(N=Nc2cnn(C)c2)CCCN1Cc1ccccc1 ZINC000814915371 632163300 /nfs/dbraw/zinc/16/33/00/632163300.db2.gz URYWKODDYXHJII-CQSZACIVSA-N 0 1 297.406 2.873 20 30 CFEDMN Nc1ccc2c(c1)C(=NN[C@H](CO)c1ccccc1)CCC2 ZINC000814918777 632164262 /nfs/dbraw/zinc/16/42/62/632164262.db2.gz AMCOEINVJBGOOU-GOSISDBHSA-N 0 1 295.386 2.632 20 30 CFEDMN CC(N=Nc1cccc(F)n1)c1cc(F)c(N)c(F)c1 ZINC000814928179 632169051 /nfs/dbraw/zinc/16/90/51/632169051.db2.gz ZOMYBNXVLUTLJC-UHFFFAOYSA-N 0 1 280.253 2.917 20 30 CFEDMN C[C@H](c1cccc(C#N)c1)N(C)C[C@@H]1CN(C2CC2)C(=O)O1 ZINC000844342902 632174962 /nfs/dbraw/zinc/17/49/62/632174962.db2.gz LFSOKBFSPBGICI-MLGOLLRUSA-N 0 1 299.374 2.534 20 30 CFEDMN CC[C@@H](C)CN(C)c1ccc(F)cc1C=NNC[C@@H](C)O ZINC000814965470 632182130 /nfs/dbraw/zinc/18/21/30/632182130.db2.gz BNXIGFOLVRAZRB-CHWSQXEVSA-N 0 1 295.402 2.612 20 30 CFEDMN CCc1nc(C)c(CN(C)C[C@H](O)c2cccc(C#N)c2)o1 ZINC000844371718 632183385 /nfs/dbraw/zinc/18/33/85/632183385.db2.gz QYAFCNKQUBCTMX-HNNXBMFYSA-N 0 1 299.374 2.583 20 30 CFEDMN Cc1[nH]c2ccc(Cl)cc2c1C=NNc1cnnn1C ZINC000814983784 632185318 /nfs/dbraw/zinc/18/53/18/632185318.db2.gz PODHFUSRBSKPMQ-UHFFFAOYSA-N 0 1 288.742 2.704 20 30 CFEDMN Cn1nncc1N=NCc1ccc(-c2ccccc2)cc1 ZINC000814982314 632185555 /nfs/dbraw/zinc/18/55/55/632185555.db2.gz WAQDADBREBJTBK-UHFFFAOYSA-N 0 1 277.331 2.928 20 30 CFEDMN Cn1nncc1[N-][NH+]=Cc1ccc(-c2ccccc2)cc1 ZINC000814982314 632185556 /nfs/dbraw/zinc/18/55/56/632185556.db2.gz WAQDADBREBJTBK-UHFFFAOYSA-N 0 1 277.331 2.928 20 30 CFEDMN C=CCOCCN1CCN(c2ccc(CC)cc2)CC1 ZINC000815054177 632191873 /nfs/dbraw/zinc/19/18/73/632191873.db2.gz BCALUOAIWGDOAQ-UHFFFAOYSA-N 0 1 274.408 2.574 20 30 CFEDMN N#CCCOCCN1CCC[C@H]1CC(=O)c1cccs1 ZINC000815072628 632194917 /nfs/dbraw/zinc/19/49/17/632194917.db2.gz PMPIEJXDVOLLMP-ZDUSSCGKSA-N 0 1 292.404 2.716 20 30 CFEDMN C=C(CNCc1cnn(C)c1Cl)c1ccccc1 ZINC000815120735 632206587 /nfs/dbraw/zinc/20/65/87/632206587.db2.gz MSJCIRUAQUKYLG-UHFFFAOYSA-N 0 1 261.756 2.877 20 30 CFEDMN CC#CCN(C)C[C@@H](O)c1ccc(Cl)cc1Cl ZINC000815282678 632243598 /nfs/dbraw/zinc/24/35/98/632243598.db2.gz CTPFLXKVZPJVHU-CYBMUJFWSA-N 0 1 272.175 2.982 20 30 CFEDMN COC(=O)Cc1ccc(NNC(C)=C2CC2(F)F)cc1 ZINC000844605899 632262307 /nfs/dbraw/zinc/26/23/07/632262307.db2.gz LJEVDVFSEYGLHP-LBPRGKRZSA-N 0 1 282.290 2.845 20 30 CFEDMN C=C[C@@H](C)ON=C1CCN(Cc2ccccn2)C[C@H]1C ZINC000844623124 632266870 /nfs/dbraw/zinc/26/68/70/632266870.db2.gz FGCLMCRKVASDMY-ZIAGYGMSSA-N 0 1 273.380 2.871 20 30 CFEDMN C=C[C@@H](C)ON=Cc1ccc(N(C)CCC#N)cc1 ZINC000844622887 632267046 /nfs/dbraw/zinc/26/70/46/632267046.db2.gz CQDRMJZTVNFPGU-CYBMUJFWSA-N 0 1 257.337 2.961 20 30 CFEDMN N#CC1(COC(=O)[C@@H]2CCCCN2C2CCCC2)CC1 ZINC000815443791 632274697 /nfs/dbraw/zinc/27/46/97/632274697.db2.gz KAGNGZZAZUWWLS-AWEZNQCLSA-N 0 1 276.380 2.630 20 30 CFEDMN C[C@@]1(C#N)CCCN(C(=O)c2c(Cl)[nH]nc2C2CC2)C1 ZINC000867363419 632280148 /nfs/dbraw/zinc/28/01/48/632280148.db2.gz PYSMXXVPVNMKTI-AWEZNQCLSA-N 0 1 292.770 2.706 20 30 CFEDMN N#Cc1ccc(CN[C@@H](c2cccs2)c2nnc[nH]2)cc1 ZINC000815560369 632289042 /nfs/dbraw/zinc/28/90/42/632289042.db2.gz FZEZUAMQLXIIST-AWEZNQCLSA-N 0 1 295.371 2.617 20 30 CFEDMN C#C[C@H](N[C@@H](C)c1ccc(F)cc1C)[C@@H]1CCCO1 ZINC000815617468 632298345 /nfs/dbraw/zinc/29/83/45/632298345.db2.gz OBRCVVJHJQWCQR-RCBQFDQVSA-N 0 1 261.340 2.966 20 30 CFEDMN C#C[C@H](N[C@H](C)c1ccc(F)cc1C)[C@@H]1CCCO1 ZINC000815617467 632298547 /nfs/dbraw/zinc/29/85/47/632298547.db2.gz OBRCVVJHJQWCQR-KCXAZCMYSA-N 0 1 261.340 2.966 20 30 CFEDMN C=CCC(F)(F)C(=O)Nc1ccccc1-c1nnc[nH]1 ZINC000815867390 632327101 /nfs/dbraw/zinc/32/71/01/632327101.db2.gz KNTYMMMHDVXRFZ-UHFFFAOYSA-N 0 1 278.262 2.622 20 30 CFEDMN C/C=C(/C)C(=O)NC1CCN(Cc2cccc(C#N)c2)CC1 ZINC000845003114 632355314 /nfs/dbraw/zinc/35/53/14/632355314.db2.gz QRJHKZXSAKYVIR-BNNQUZSASA-N 0 1 297.402 2.605 20 30 CFEDMN C[C@H]1CC[C@H](C(=O)C(C#N)C(=O)NC2CCCC2)CC1 ZINC000845451903 632438058 /nfs/dbraw/zinc/43/80/58/632438058.db2.gz QGUYPVLBZPQOEF-YRGRVCCFSA-N 0 1 276.380 2.580 20 30 CFEDMN COCC(C)=CC(=O)[C@H](C#N)c1nc2cccc(C)c2[nH]1 ZINC000845473401 632441795 /nfs/dbraw/zinc/44/17/95/632441795.db2.gz INPXFZKFYWECQB-UMAGTOLTSA-N 0 1 283.331 2.640 20 30 CFEDMN COCC(C)=CC(=O)[C@@H](C#N)c1nc2cccc(C)c2[nH]1 ZINC000845473399 632441822 /nfs/dbraw/zinc/44/18/22/632441822.db2.gz INPXFZKFYWECQB-OFFHKIPUSA-N 0 1 283.331 2.640 20 30 CFEDMN COCC(C)=CC(=O)[C@@H](C#N)c1nc2cccc(C)c2[nH]1 ZINC000845473398 632442314 /nfs/dbraw/zinc/44/23/14/632442314.db2.gz INPXFZKFYWECQB-MQGYJPLLSA-N 0 1 283.331 2.640 20 30 CFEDMN C#CCCCCC(=O)Nc1c(=O)[nH][nH]c1-c1ccccc1 ZINC000816752984 632519612 /nfs/dbraw/zinc/51/96/12/632519612.db2.gz UQRJXHHBECATKZ-UHFFFAOYSA-N 0 1 283.331 2.914 20 30 CFEDMN CC(=O)c1ccc(C#N)cc1NCc1n[nH]c(C(C)(C)C)n1 ZINC000840335044 632559943 /nfs/dbraw/zinc/55/99/43/632559943.db2.gz ISTJCQBDIDMCKU-UHFFFAOYSA-N 0 1 297.362 2.789 20 30 CFEDMN CSCCC(=O)C(C#N)=C(O)C1(c2ccccc2)CC1 ZINC000845843842 632578838 /nfs/dbraw/zinc/57/88/38/632578838.db2.gz ZIHFXCHHWYHWQO-ZDUSSCGKSA-N 0 1 287.384 2.749 20 30 CFEDMN CO[C@H](C)CCC(=O)C(C#N)=C(O)C1(c2ccccc2)CC1 ZINC000845847097 632579398 /nfs/dbraw/zinc/57/93/98/632579398.db2.gz YKUJQAXZLHJTLA-HIFRSBDPSA-N 0 1 299.370 2.811 20 30 CFEDMN Cc1c(Cl)c(C=NNc2cc(C)ccn2)nn1C ZINC000817326297 632602295 /nfs/dbraw/zinc/60/22/95/632602295.db2.gz VFNZIGAIRCGKKZ-UHFFFAOYSA-N 0 1 263.732 2.531 20 30 CFEDMN Cc1c(Cl)c(C=N[N-]c2cc(C)cc[nH+]2)nn1C ZINC000817326297 632602301 /nfs/dbraw/zinc/60/23/01/632602301.db2.gz VFNZIGAIRCGKKZ-UHFFFAOYSA-N 0 1 263.732 2.531 20 30 CFEDMN CCOc1cccc(CNCC2(C#N)CCCC2)c1O ZINC000846012315 632613671 /nfs/dbraw/zinc/61/36/71/632613671.db2.gz XRAZXQPVKXCDMZ-UHFFFAOYSA-N 0 1 274.364 2.964 20 30 CFEDMN N#CC(C(=O)NC1CCCCC1)C(=O)[C@@H]1CC[C@H]2C[C@H]2C1 ZINC000817713270 632690211 /nfs/dbraw/zinc/69/02/11/632690211.db2.gz BDADVNIPTAOLJA-XFMPKHEZSA-N 0 1 288.391 2.580 20 30 CFEDMN CCOc1ccccc1NC(=O)C(C#N)C(=O)[C@@H]1CC12CC2 ZINC000817714390 632690266 /nfs/dbraw/zinc/69/02/66/632690266.db2.gz SEGUPQOXOOEPEH-RYUDHWBXSA-N 0 1 298.342 2.533 20 30 CFEDMN CCCCCCNC(=O)C(C#N)C(=O)[C@@H]1CC[C@H]2C[C@H]2C1 ZINC000817714833 632690596 /nfs/dbraw/zinc/69/05/96/632690596.db2.gz XNGHZYDEAHDCDT-LJISPDSOSA-N 0 1 290.407 2.828 20 30 CFEDMN CC#CC(=O)N1C[C@H](C)N(Cc2ccccc2)[C@H](C)[C@@H]1C ZINC000846344864 632693368 /nfs/dbraw/zinc/69/33/68/632693368.db2.gz DEIFTWQQEADVCP-XHSDSOJGSA-N 0 1 284.403 2.520 20 30 CFEDMN C=C(C)CONC(=O)[C@H]1CC(C)(C)Oc2ccccc21 ZINC000846533804 632724560 /nfs/dbraw/zinc/72/45/60/632724560.db2.gz FGFFCXVGOCIFGH-ZDUSSCGKSA-N 0 1 275.348 2.955 20 30 CFEDMN C=C(C)CONC(=O)Cc1csc(C(C)(C)C)n1 ZINC000846537768 632726512 /nfs/dbraw/zinc/72/65/12/632726512.db2.gz CXXOMTTYAPCHQX-UHFFFAOYSA-N 0 1 268.382 2.607 20 30 CFEDMN C=C(C)CO[N-]C(=O)[C@H]1CCCC[N@H+]1Cc1ccccc1 ZINC000846538463 632727397 /nfs/dbraw/zinc/72/73/97/632727397.db2.gz XESOYBGVFBUFDE-MRXNPFEDSA-N 0 1 288.391 2.665 20 30 CFEDMN C=C[C@@H](C)ONC(=O)C(C)(C)c1ccc(OC)c(OC)c1 ZINC000846545900 632734208 /nfs/dbraw/zinc/73/42/08/632734208.db2.gz JREBGUDPDRCTDC-LLVKDONJSA-N 0 1 293.363 2.604 20 30 CFEDMN Cc1cc(C#N)ccc1NC[C@@H](C(C)C)N1CCOCC1 ZINC000846745876 632781795 /nfs/dbraw/zinc/78/17/95/632781795.db2.gz SJQQJONCXXDNAN-KRWDZBQOSA-N 0 1 287.407 2.635 20 30 CFEDMN Cc1cc(C#N)ccc1NC[C@H](C(C)C)N1CCOCC1 ZINC000846745879 632781995 /nfs/dbraw/zinc/78/19/95/632781995.db2.gz SJQQJONCXXDNAN-QGZVFWFLSA-N 0 1 287.407 2.635 20 30 CFEDMN C=CCN(Cc1ccccc1)C[C@H]1CN(CC)C(=O)O1 ZINC000846765102 632791031 /nfs/dbraw/zinc/79/10/31/632791031.db2.gz KXTNBHKLENGUSU-HNNXBMFYSA-N 0 1 274.364 2.515 20 30 CFEDMN N#Cc1ccc(CN2CCC[C@@H]2C[C@H](O)c2ccco2)nc1 ZINC000846816447 632809094 /nfs/dbraw/zinc/80/90/94/632809094.db2.gz WQXAWQLAMVOXIL-CVEARBPZSA-N 0 1 297.358 2.634 20 30 CFEDMN C#C[C@@H]1CCCN(Cc2c(C)cc(C)nc2OC)C1 ZINC000847020010 632883630 /nfs/dbraw/zinc/88/36/30/632883630.db2.gz VBPNBSWHJFNGGG-CQSZACIVSA-N 0 1 258.365 2.552 20 30 CFEDMN C#C[C@H]1CCCN(CC(=O)N[C@H](C)c2ccc(C)c(C)c2)C1 ZINC000847030739 632894490 /nfs/dbraw/zinc/89/44/90/632894490.db2.gz RSAHIUOBKKBTAH-SJORKVTESA-N 0 1 298.430 2.826 20 30 CFEDMN C#C[C@H]1CCCN(CC(=O)N[C@@H](C)c2ccc(C)c(C)c2)C1 ZINC000847030737 632895003 /nfs/dbraw/zinc/89/50/03/632895003.db2.gz RSAHIUOBKKBTAH-IRXDYDNUSA-N 0 1 298.430 2.826 20 30 CFEDMN C#C[C@@H]1CCCN([C@@H](C)C(=O)N2CCCC[C@H]2CC)C1 ZINC000847032494 632896161 /nfs/dbraw/zinc/89/61/61/632896161.db2.gz LIXWMOTVBWLWQT-ARFHVFGLSA-N 0 1 276.424 2.511 20 30 CFEDMN C#C[C@@H]1CCCN([C@H](C)C(=O)N2c3ccccc3C[C@@H]2C)C1 ZINC000847032252 632896541 /nfs/dbraw/zinc/89/65/41/632896541.db2.gz WKQPCTWYHSBZOD-ARFHVFGLSA-N 0 1 296.414 2.698 20 30 CFEDMN C#Cc1cccc(N(CC)C(=O)[C@H](C)Cc2cnc[nH]2)c1 ZINC000847436428 632987905 /nfs/dbraw/zinc/98/79/05/632987905.db2.gz MKVVRJSHGBQPAE-CYBMUJFWSA-N 0 1 281.359 2.623 20 30 CFEDMN C=CCCCCCN(C)Cn1cc(-c2ccncn2)cn1 ZINC000848479476 633264499 /nfs/dbraw/zinc/26/44/99/633264499.db2.gz BGFUYBKNHMUANI-UHFFFAOYSA-N 0 1 285.395 2.976 20 30 CFEDMN C[C@H](NCc1cnc(Cl)n1C)c1ccc(C#N)cc1 ZINC000848525744 633276855 /nfs/dbraw/zinc/27/68/55/633276855.db2.gz SWKYCHZCLHNFIU-JTQLQIEISA-N 0 1 274.755 2.796 20 30 CFEDMN Cc1ncncc1[C@H](C)NCc1ccc(OCC#N)cc1 ZINC000848534167 633281080 /nfs/dbraw/zinc/28/10/80/633281080.db2.gz NLANKNZPQKBVLD-LBPRGKRZSA-N 0 1 282.347 2.538 20 30 CFEDMN C#Cc1cccc(CN[C@@H](C)c2cncnc2C)c1 ZINC000848553918 633287618 /nfs/dbraw/zinc/28/76/18/633287618.db2.gz ZQLSACWEBXPBTB-LBPRGKRZSA-N 0 1 251.333 2.617 20 30 CFEDMN C#C[C@@H](NCc1ccc(/C=C\C(=O)OC)o1)C(C)(C)C ZINC000848911878 633396843 /nfs/dbraw/zinc/39/68/43/633396843.db2.gz JZTXKSMOIKMRJA-CFYYFVFUSA-N 0 1 275.348 2.603 20 30 CFEDMN C#C[C@H]1CCCN(Cc2cnn(-c3ccc(OC)cc3)c2)C1 ZINC000848924522 633407331 /nfs/dbraw/zinc/40/73/31/633407331.db2.gz UTHVILCPFNLQBR-HNNXBMFYSA-N 0 1 295.386 2.726 20 30 CFEDMN C#C[C@H]1CCCN(Cc2cnc(C(C)(C)C)nc2)C1 ZINC000848924776 633407981 /nfs/dbraw/zinc/40/79/81/633407981.db2.gz ZVGHJLBOBKSJCK-ZDUSSCGKSA-N 0 1 257.381 2.619 20 30 CFEDMN COc1ccc(C(=O)/C=C/c2c(C3CC3)cnn2C)c(O)c1 ZINC000849246362 633589675 /nfs/dbraw/zinc/58/96/75/633589675.db2.gz HPUWZUBSFLTIRO-BQYQJAHWSA-N 0 1 298.342 2.908 20 30 CFEDMN C#CC[C@H]1CCC[N@H+](Cc2ccsc2C(=O)[O-])C1 ZINC000849344226 633623064 /nfs/dbraw/zinc/62/30/64/633623064.db2.gz FKQYHRLENAPXOM-NSHDSACASA-N 0 1 263.362 2.682 20 30 CFEDMN C#CC[C@H]1CCC[N@H+](Cc2ccc(C(=O)[O-])cc2F)C1 ZINC000849344113 633623197 /nfs/dbraw/zinc/62/31/97/633623197.db2.gz BTUNJFCIFJJZBJ-LBPRGKRZSA-N 0 1 275.323 2.759 20 30 CFEDMN CCc1cc(CNCc2ccc(C3(C#N)CC3)cc2)[nH]n1 ZINC000850137194 633852085 /nfs/dbraw/zinc/85/20/85/633852085.db2.gz LVOZHLDJYVXIDZ-UHFFFAOYSA-N 0 1 280.375 2.817 20 30 CFEDMN C#C[C@@H](NCc1cc2c(cccc2C)[nH]1)[C@@H]1CCCO1 ZINC000850250997 633913091 /nfs/dbraw/zinc/91/30/91/633913091.db2.gz JFSHBXSUUFLPEX-WBVHZDCISA-N 0 1 268.360 2.747 20 30 CFEDMN C#C[C@@H](NCc1cc2ccc(C)cc2[nH]1)[C@H]1CCCO1 ZINC000850251050 633913475 /nfs/dbraw/zinc/91/34/75/633913475.db2.gz KSWQIDSEQNCTBT-NVXWUHKLSA-N 0 1 268.360 2.747 20 30 CFEDMN CCOC1(C(=O)C(C#N)c2nc(C)cs2)CCC1 ZINC000850737584 634068164 /nfs/dbraw/zinc/06/81/64/634068164.db2.gz YBFGGJSDNUYJLR-JTQLQIEISA-N 0 1 264.350 2.587 20 30 CFEDMN CC1(C)CC(C(=O)C(C#N)C(=O)NC2CC2)CC(C)(C)C1 ZINC000850760311 634081382 /nfs/dbraw/zinc/08/13/82/634081382.db2.gz XMKJCLQJEYEDLR-CYBMUJFWSA-N 0 1 290.407 2.826 20 30 CFEDMN CC(C)NC(=O)C(C#N)C(=O)[C@H]1CC[C@H](C2CCC2)CC1 ZINC000850762536 634081594 /nfs/dbraw/zinc/08/15/94/634081594.db2.gz YSINELNZRPZVTD-KKUMJFAQSA-N 0 1 290.407 2.826 20 30 CFEDMN CC1(C)CC[C@H]1C(=O)C(C#N)C(=O)Nc1ccccc1 ZINC000850759701 634081830 /nfs/dbraw/zinc/08/18/30/634081830.db2.gz MJXLEFKYSVJGIV-OLZOCXBDSA-N 0 1 270.332 2.770 20 30 CFEDMN N#C[C@@H](C(=O)C1CCC2(CC2)CC1)c1ccncn1 ZINC000850948599 634149899 /nfs/dbraw/zinc/14/98/99/634149899.db2.gz UPUCAINCFQEMBA-GFCCVEGCSA-N 0 1 255.321 2.623 20 30 CFEDMN C#CCOCCSc1nc(C=Cc2ccc(C)o2)n[nH]1 ZINC000853016189 634876881 /nfs/dbraw/zinc/87/68/81/634876881.db2.gz RRSZDQBGNWOZED-SREVYHEPSA-N 0 1 289.360 2.618 20 30 CFEDMN C=CC1CCN(CN2C(=O)C[C@H]2c2ccccc2)CC1 ZINC000111166516 634937934 /nfs/dbraw/zinc/93/79/34/634937934.db2.gz QCHFLWQFJRUPLE-INIZCTEOSA-N 0 1 270.376 2.816 20 30 CFEDMN C=CC[C@H](C(=O)O[C@@H](C)c1nnc[nH]1)c1ccccc1 ZINC000853226486 634945255 /nfs/dbraw/zinc/94/52/55/634945255.db2.gz XTKLJLOQYLTADJ-AAEUAGOBSA-N 0 1 271.320 2.769 20 30 CFEDMN C(=NNc1ccccn1)c1ccc(O[C@H]2CCOC2)cc1 ZINC000853269231 634956341 /nfs/dbraw/zinc/95/63/41/634956341.db2.gz RRXWIJHLWSKSRW-HNNXBMFYSA-N 0 1 283.331 2.695 20 30 CFEDMN Cc1nnc(NN=C2CCc3ccc(F)c(Cl)c32)n1C ZINC000853430541 634997557 /nfs/dbraw/zinc/99/75/57/634997557.db2.gz CQEOZOBKOXUUSH-UHFFFAOYSA-N 0 1 293.733 2.678 20 30 CFEDMN CC(=NNc1nnc(C)n1C)c1sc(C(C)C)nc1C ZINC000853432597 634997596 /nfs/dbraw/zinc/99/75/96/634997596.db2.gz ANGGRHISIFWYFA-UHFFFAOYSA-N 0 1 292.412 2.848 20 30 CFEDMN COc1cc(C(C)=NOCC2CCC2)cc([N+](=O)[O-])c1O ZINC000853439781 635000764 /nfs/dbraw/zinc/00/07/64/635000764.db2.gz QFGLEYQDGBXQAP-UHFFFAOYSA-N 0 1 294.307 2.850 20 30 CFEDMN C=CC[C@H]1CCCN(CN2C[C@H](c3ccccn3)CC2=O)C1 ZINC000853536857 635031599 /nfs/dbraw/zinc/03/15/99/635031599.db2.gz JOPFCJNWJIVGKD-JKSUJKDBSA-N 0 1 299.418 2.643 20 30 CFEDMN N#CCC1(CON=Cc2ccc(N3CCOCC3)cc2)CC1 ZINC000853643674 635058037 /nfs/dbraw/zinc/05/80/37/635058037.db2.gz ZZZPPRKYLSYYMQ-UHFFFAOYSA-N 0 1 299.374 2.568 20 30 CFEDMN C=CC1CCN(Cc2c(C)nn(C)c2Cl)CC1 ZINC000111693204 635147755 /nfs/dbraw/zinc/14/77/55/635147755.db2.gz JQWFSZVTWMECRE-UHFFFAOYSA-N 0 1 253.777 2.780 20 30 CFEDMN CC(C)C#CC(=O)Nc1cc(Cl)c(O)cc1F ZINC000854453527 635309282 /nfs/dbraw/zinc/30/92/82/635309282.db2.gz QJIRVZITOLQJSO-UHFFFAOYSA-N 0 1 255.676 2.783 20 30 CFEDMN C#CC[C@H](OC(=O)c1[nH]nc2c1CCCC2)c1ccccn1 ZINC000113662758 635646520 /nfs/dbraw/zinc/64/65/20/635646520.db2.gz YQRITVFAQFWSLD-HNNXBMFYSA-N 0 1 295.342 2.605 20 30 CFEDMN C=CCCONC(=O)Cc1nc(-c2ccsc2)oc1C ZINC000856031162 635706901 /nfs/dbraw/zinc/70/69/01/635706901.db2.gz FZUQQPKCNIDUQQ-UHFFFAOYSA-N 0 1 292.360 2.878 20 30 CFEDMN C#CCN[C@H](COC)c1cccc(C(F)(F)F)c1 ZINC000157193463 650214594 /nfs/dbraw/zinc/21/45/94/650214594.db2.gz TXTULWUDFSXDAI-GFCCVEGCSA-N 0 1 257.255 2.616 20 30 CFEDMN Cn1ncc(C2CC2)c1C=[NH+][N-]c1nc2cccnc2s1 ZINC000857218108 635949135 /nfs/dbraw/zinc/94/91/35/635949135.db2.gz LUMSRYISAXUXNO-UHFFFAOYSA-N 0 1 298.375 2.748 20 30 CFEDMN Cc1ccc(O[C@@H]2CCN(Cc3ccc(C#N)s3)C2)nc1 ZINC000858013013 636115679 /nfs/dbraw/zinc/11/56/79/636115679.db2.gz OUERVGNYWBOLTN-CYBMUJFWSA-N 0 1 299.399 2.977 20 30 CFEDMN C[C@@H](NCCOC1CCOCC1)c1ccc(C#N)cc1F ZINC000859245808 636520875 /nfs/dbraw/zinc/52/08/75/636520875.db2.gz HEQIHXMWKPJRQX-GFCCVEGCSA-N 0 1 292.354 2.544 20 30 CFEDMN C[C@@H](C#N)OCCN1CCc2cc(C(F)(F)F)ccc2C1 ZINC000859907410 636740858 /nfs/dbraw/zinc/74/08/58/636740858.db2.gz YGILHFFGOGNUKN-NSHDSACASA-N 0 1 298.308 2.992 20 30 CFEDMN CCCCCNC(=O)[C@H](C#N)C(=O)[C@H]1CCCC12CC2 ZINC000860463543 636890834 /nfs/dbraw/zinc/89/08/34/636890834.db2.gz DLHOCQJVCMCNJC-CHWSQXEVSA-N 0 1 276.380 2.582 20 30 CFEDMN CCCCCNC(=O)C(C#N)C(=O)C[C@@H](C)C(F)(F)F ZINC000860463957 636891305 /nfs/dbraw/zinc/89/13/05/636891305.db2.gz LARMMZXKBGXHES-NXEZZACHSA-N 0 1 292.301 2.590 20 30 CFEDMN N#C[C@@H](C(=O)CC(C1CCC1)C1CCC1)C(=O)NC1CC1 ZINC000860472645 636892472 /nfs/dbraw/zinc/89/24/72/636892472.db2.gz CAHROOCKQRYHDE-HNNXBMFYSA-N 0 1 288.391 2.580 20 30 CFEDMN N#CC(C(=O)NC1CC1)C(=O)[C@@H]1CC[C@@H](c2ccccc2)C1 ZINC000860473820 636892718 /nfs/dbraw/zinc/89/27/18/636892718.db2.gz SIRPTZMZJXXYFP-IIAWOOMASA-N 0 1 296.370 2.558 20 30 CFEDMN CCCC[C@@H](CC)CC(=O)[C@H](C#N)C(=O)NC(C)C ZINC000117532473 636896605 /nfs/dbraw/zinc/89/66/05/636896605.db2.gz RCKUHXKPMQPLPZ-OLZOCXBDSA-N 0 1 266.385 2.826 20 30 CFEDMN C#C[C@H](CC)NCc1cc(OCC)c(OC)cc1F ZINC000862363309 637334793 /nfs/dbraw/zinc/33/47/93/637334793.db2.gz MDRDBFRRGSDYJK-GFCCVEGCSA-N 0 1 265.328 2.734 20 30 CFEDMN C#C[C@H](NCc1cc(OCC)c(OC)cc1F)C(C)C ZINC000862363720 637336642 /nfs/dbraw/zinc/33/66/42/637336642.db2.gz SGXZTPKTJSVJRC-AWEZNQCLSA-N 0 1 279.355 2.980 20 30 CFEDMN C#CC[C@H]1CCN(Cc2nccn2Cc2ccccc2)C1 ZINC000862445572 637387465 /nfs/dbraw/zinc/38/74/65/637387465.db2.gz XGYFTNBPGQSAAW-INIZCTEOSA-N 0 1 279.387 2.777 20 30 CFEDMN C#CC[C@@H]1CCN(Cc2cccc(O)c2Br)C1 ZINC000862448326 637389047 /nfs/dbraw/zinc/38/90/47/637389047.db2.gz XDOJZNFQJMCKHN-LLVKDONJSA-N 0 1 294.192 3.000 20 30 CFEDMN C#CC[C@@H]1CCN(C(=O)c2ccc(O)c(Cl)c2)C1 ZINC000862561363 637428147 /nfs/dbraw/zinc/42/81/47/637428147.db2.gz KFTMXNOAQOJMMZ-SNVBAGLBSA-N 0 1 263.724 2.531 20 30 CFEDMN C#CC[C@H]1CCN(C(=O)c2cc(-c3ccc(F)cc3)[nH]n2)C1 ZINC000862562278 637429620 /nfs/dbraw/zinc/42/96/20/637429620.db2.gz WYJNQPIJPCERTO-LBPRGKRZSA-N 0 1 297.333 2.701 20 30 CFEDMN CCOC(=O)c1[nH]c(C)c(C=NNc2ccccn2)c1C ZINC000863068061 637548547 /nfs/dbraw/zinc/54/85/47/637548547.db2.gz VYBRJJGAVCCILT-UHFFFAOYSA-N 0 1 286.335 2.649 20 30 CFEDMN Clc1cnc(N=NC2C[N@H+]3C[C@@H]2CCC3)c(Cl)c1 ZINC000863069494 637549519 /nfs/dbraw/zinc/54/95/19/637549519.db2.gz FDNFUEKCMHKGCQ-QMMMGPOBSA-N 0 1 285.178 2.882 20 30 CFEDMN Clc1cnc(N=NC2CN3C[C@@H]2CCC3)c(Cl)c1 ZINC000863069494 637549522 /nfs/dbraw/zinc/54/95/22/637549522.db2.gz FDNFUEKCMHKGCQ-QMMMGPOBSA-N 0 1 285.178 2.882 20 30 CFEDMN CCC(=[NH+][N-]c1cc(C)nc(C)n1)c1ccc(N)cc1 ZINC000863079968 637551744 /nfs/dbraw/zinc/55/17/44/637551744.db2.gz HUVFWHIDOJJTMI-UHFFFAOYSA-N 0 1 269.352 2.902 20 30 CFEDMN Cc1ccnc(NN=C2CCCc3scnc32)c1 ZINC000863101109 637554532 /nfs/dbraw/zinc/55/45/32/637554532.db2.gz IPXRUVGSVUABSR-UHFFFAOYSA-N 0 1 258.350 2.999 20 30 CFEDMN Cc1cc[nH+]c([N-]N=C2CCCc3scnc32)c1 ZINC000863101109 637554537 /nfs/dbraw/zinc/55/45/37/637554537.db2.gz IPXRUVGSVUABSR-UHFFFAOYSA-N 0 1 258.350 2.999 20 30 CFEDMN C[N@H+]1CCC(N=Nc2ccc(C(=O)[O-])cc2F)CC1(C)C ZINC000863117931 637562767 /nfs/dbraw/zinc/56/27/67/637562767.db2.gz HOGFIONJWKGDMY-UHFFFAOYSA-N 0 1 293.342 2.796 20 30 CFEDMN COCCC(=NNc1ccncc1C)c1ccc(F)cc1 ZINC000863157698 637571019 /nfs/dbraw/zinc/57/10/19/637571019.db2.gz QQNHOHJIIVAMKF-UHFFFAOYSA-N 0 1 287.338 2.804 20 30 CFEDMN Cc1cnccc1NN=Cc1ccc([C@H]2C[C@@H]2C)o1 ZINC000863157105 637571882 /nfs/dbraw/zinc/57/18/82/637571882.db2.gz IOGICQWWUKBZKV-GWCFXTLKSA-N 0 1 255.321 2.974 20 30 CFEDMN CCCCCCCN[C@@H](C(N)=O)c1ccc(F)cc1 ZINC000863375954 637645232 /nfs/dbraw/zinc/64/52/32/637645232.db2.gz JSUHFUAASAEYOJ-CQSZACIVSA-N 0 1 266.360 2.912 20 30 CFEDMN CCCCCCCCNC(=O)CN(C)C1CCC1 ZINC000863900569 637804800 /nfs/dbraw/zinc/80/48/00/637804800.db2.gz YYMLVLMKCGSYBS-UHFFFAOYSA-N 0 1 254.418 2.947 20 30 CFEDMN C=CCN(C(=O)c1cc(-c2ccccc2O)[nH]n1)C(C)C ZINC000863942435 637819030 /nfs/dbraw/zinc/81/90/30/637819030.db2.gz WVUUXBVHHVYYIZ-UHFFFAOYSA-N 0 1 285.347 2.819 20 30 CFEDMN C#Cc1cccc(N(C)C(=O)c2cn[nH]c2C(C)C)c1 ZINC000865156645 638208680 /nfs/dbraw/zinc/20/86/80/638208680.db2.gz LYZDRMWISNZBPN-UHFFFAOYSA-N 0 1 267.332 2.791 20 30 CFEDMN C[C@H]1[C@H](C)N(c2cc(C(F)(F)F)cc(C#N)n2)CCN1C ZINC000865654335 638490885 /nfs/dbraw/zinc/49/08/85/638490885.db2.gz NKPRZIKRNPWWHH-UWVGGRQHSA-N 0 1 298.312 2.501 20 30 CFEDMN CCC(CC)CN(CCC#N)CC[C@@H]1CCOC1=O ZINC000120731218 638569127 /nfs/dbraw/zinc/56/91/27/638569127.db2.gz UIDKKYICPVCJIJ-CQSZACIVSA-N 0 1 266.385 2.591 20 30 CFEDMN C=CCCn1cc(CNCC(C)(C)C(C)(F)F)nn1 ZINC000865789311 638576023 /nfs/dbraw/zinc/57/60/23/638576023.db2.gz WSKUXHNDJFKTQM-UHFFFAOYSA-N 0 1 272.343 2.625 20 30 CFEDMN C[C@H]([NH2+]CCCN1CCCCC1)c1cccc(C#N)c1[O-] ZINC000866219496 638772972 /nfs/dbraw/zinc/77/29/72/638772972.db2.gz PRUGHCCZGMJEJN-AWEZNQCLSA-N 0 1 287.407 2.790 20 30 CFEDMN CC[C@@H](C)CN(CC)C(=O)[C@H]1NCCc2cc(C#N)ccc21 ZINC000867942487 638907415 /nfs/dbraw/zinc/90/74/15/638907415.db2.gz SKJSBIAVKUOUPN-DYVFJYSZSA-N 0 1 299.418 2.640 20 30 CFEDMN C[C@@H]1CCC[C@@H](C)N1C(=O)[C@@H]1NCCc2cc(C#N)ccc21 ZINC000867949381 638908087 /nfs/dbraw/zinc/90/80/87/638908087.db2.gz XBMGIXBZEYBZQD-PBFPGSCMSA-N 0 1 297.402 2.535 20 30 CFEDMN CC(C)N(C(=O)[C@H]1NCCc2cc(C#N)ccc21)C1CCC1 ZINC000867954159 638908624 /nfs/dbraw/zinc/90/86/24/638908624.db2.gz IGOFJRPOACUVLL-KRWDZBQOSA-N 0 1 297.402 2.535 20 30 CFEDMN CCC(C)(C)[C@H](C)NC(=O)[C@H]1NCCc2cc(C#N)ccc21 ZINC000867984756 638911113 /nfs/dbraw/zinc/91/11/13/638911113.db2.gz SABBLKDTCBNMAT-LRDDRELGSA-N 0 1 299.418 2.686 20 30 CFEDMN C#CCN1CCC(N(C)C(=O)c2cccc(C3CC3)c2)CC1 ZINC001006451695 650460532 /nfs/dbraw/zinc/46/05/32/650460532.db2.gz OPJXRWLYGUKGEB-UHFFFAOYSA-N 0 1 296.414 2.734 20 30 CFEDMN C[C@@H]1C[C@@H]1[C@@H]1C[C@@H]1C(=O)C(C#N)C(=O)Nc1ccccc1 ZINC000870137644 639527767 /nfs/dbraw/zinc/52/77/67/639527767.db2.gz YYHPAPZAGKDEDL-QPGZIWCOSA-N 0 1 282.343 2.626 20 30 CFEDMN Cc1cc(C(C#N)C(=O)[C@@H]2C[C@@H]2[C@@H]2C[C@@H]2C)nc(C)n1 ZINC000870135608 639528134 /nfs/dbraw/zinc/52/81/34/639528134.db2.gz AUHURNOIQNXGSI-YVUXVULOSA-N 0 1 269.348 2.562 20 30 CFEDMN C#CCN1CCC(N(C)C(=O)[C@@H]2CCCC(C)(C)C2)CC1 ZINC001006458719 650511063 /nfs/dbraw/zinc/51/10/63/650511063.db2.gz PFSSEOJWYJWVBW-OAHLLOKOSA-N 0 1 290.451 2.759 20 30 CFEDMN C=CC[C@@H](C)NC(=O)[C@@H](N)c1cccc(Br)c1 ZINC000870888400 641107875 /nfs/dbraw/zinc/10/78/75/641107875.db2.gz GAKLTQIUCXWCDW-SKDRFNHKSA-N 0 1 297.196 2.530 20 30 CFEDMN N#Cc1ccc2nc(NC(=O)C=C3CCCC3)[nH]c2c1 ZINC000871070438 641185214 /nfs/dbraw/zinc/18/52/14/641185214.db2.gz KUXSQDMAWWHABM-UHFFFAOYSA-N 0 1 266.304 2.873 20 30 CFEDMN CCCCO[C@@H](C)C(=O)Nc1nc2ccc(C#N)cc2[nH]1 ZINC000871071555 641185268 /nfs/dbraw/zinc/18/52/68/641185268.db2.gz ZHKSYQMGWNTURS-JTQLQIEISA-N 0 1 286.335 2.578 20 30 CFEDMN N#Cc1ccc2nc(NC(=O)[C@H]3CCCCS3)[nH]c2c1 ZINC000871072529 641186656 /nfs/dbraw/zinc/18/66/56/641186656.db2.gz MJURKCAUSSTEGL-GFCCVEGCSA-N 0 1 286.360 2.659 20 30 CFEDMN CC[C@H]1C[C@@H](C(=O)Nc2nc3ccc(C#N)cc3[nH]2)CCO1 ZINC000871072152 641187179 /nfs/dbraw/zinc/18/71/79/641187179.db2.gz IIWPPSWSYVLAAT-RYUDHWBXSA-N 0 1 298.346 2.578 20 30 CFEDMN C[C@@H]1CC[C@H](C(=O)Nc2nc3ccc(C#N)cc3[nH]2)C1 ZINC000871073294 641188024 /nfs/dbraw/zinc/18/80/24/641188024.db2.gz WOWRAXVOUQNREA-KOLCDFICSA-N 0 1 268.320 2.809 20 30 CFEDMN C[C@H]1CC[C@@H](CCC(=O)Nc2nc3ccc(C#N)cc3[nH]2)O1 ZINC000871073376 641188502 /nfs/dbraw/zinc/18/85/02/641188502.db2.gz ZIUXQSBQTBMFLZ-JQWIXIFHSA-N 0 1 298.346 2.721 20 30 CFEDMN C[C@@H]1C[C@@H]1C(=O)C(C#N)C(=O)Nc1ccc(Cl)cc1 ZINC000193398993 650651035 /nfs/dbraw/zinc/65/10/35/650651035.db2.gz CZISPGHDONARJA-JFUSQASVSA-N 0 1 276.723 2.643 20 30 CFEDMN N#C[C@@H](C(=O)CSc1nc(C2CC2)n[nH]1)c1ccccc1 ZINC000871645468 641380803 /nfs/dbraw/zinc/38/08/03/641380803.db2.gz VJMNMQCXBWNJPF-GFCCVEGCSA-N 0 1 298.371 2.651 20 30 CFEDMN N#C[C@@H](C(=O)CSc1n[nH]c(C2CC2)n1)c1ccccc1 ZINC000871645468 641380808 /nfs/dbraw/zinc/38/08/08/641380808.db2.gz VJMNMQCXBWNJPF-GFCCVEGCSA-N 0 1 298.371 2.651 20 30 CFEDMN CCc1ncsc1C(=O)Nc1cc(C#N)ccc1O ZINC000124004760 641725025 /nfs/dbraw/zinc/72/50/25/641725025.db2.gz WTVRAHHLTARAMC-UHFFFAOYSA-N 0 1 273.317 2.535 20 30 CFEDMN C[C@@H]1C(N=Nc2ccc(Cl)c(C(=O)[O-])c2)CC[N@H+]1C ZINC000872325290 641756330 /nfs/dbraw/zinc/75/63/30/641756330.db2.gz KYBUQHKNVCGTNQ-MRVPVSSYSA-N 0 1 281.743 2.530 20 30 CFEDMN Cn1nc2c(c1C=NNc1nc3ccccc3[nH]1)CCCC2 ZINC000872328027 641757185 /nfs/dbraw/zinc/75/71/85/641757185.db2.gz OEVCMSKMALUBLR-UHFFFAOYSA-N 0 1 294.362 2.621 20 30 CFEDMN CCNc1ccccc1C=NNCCc1ccncc1 ZINC000872371678 641776703 /nfs/dbraw/zinc/77/67/03/641776703.db2.gz POHVAJYPZZGFBA-UHFFFAOYSA-N 0 1 268.364 2.680 20 30 CFEDMN COc1cc(C)c(C(C)=NN=c2cc(C)[nH]c(N)n2)cc1C ZINC000872420632 641806020 /nfs/dbraw/zinc/80/60/20/641806020.db2.gz JSRWXGRMTQPROD-UHFFFAOYSA-N 0 1 299.378 2.829 20 30 CFEDMN CC(C)c1cc([C@H]2CCCN(c3ncncc3C#N)C2)[nH]n1 ZINC000872649309 641886615 /nfs/dbraw/zinc/88/66/15/641886615.db2.gz XDNVGBBZDHPZBD-LBPRGKRZSA-N 0 1 296.378 2.579 20 30 CFEDMN CC(C)c1cc([C@@H]2CCCN(c3cncc(C#N)n3)C2)[nH]n1 ZINC000872649400 641886633 /nfs/dbraw/zinc/88/66/33/641886633.db2.gz ZLYJFDSXOOOBGQ-GFCCVEGCSA-N 0 1 296.378 2.579 20 30 CFEDMN CC(C)c1cc([C@@H]2CCCN(c3ncncc3C#N)C2)[nH]n1 ZINC000872649308 641886901 /nfs/dbraw/zinc/88/69/01/641886901.db2.gz XDNVGBBZDHPZBD-GFCCVEGCSA-N 0 1 296.378 2.579 20 30 CFEDMN C=CC(C)(C)CCCNC(=O)NCc1cc(CC)[nH]n1 ZINC000872901098 641960180 /nfs/dbraw/zinc/96/01/80/641960180.db2.gz GBQNXZLNEBMQLC-UHFFFAOYSA-N 0 1 278.400 2.764 20 30 CFEDMN C=CCOCCNCc1c(F)cccc1OCC ZINC000873101967 642014471 /nfs/dbraw/zinc/01/44/71/642014471.db2.gz JCHIUXSTHGXSBL-UHFFFAOYSA-N 0 1 253.317 2.517 20 30 CFEDMN CS[C@H]1C[C@H](NCc2cccc(F)c2C#N)C1 ZINC000873148622 642031689 /nfs/dbraw/zinc/03/16/89/642031689.db2.gz FRTKKJFBSVZBFF-XYPYZODXSA-N 0 1 250.342 2.681 20 30 CFEDMN N#Cc1csc(CNC2CC(Nc3ccccc3)C2)n1 ZINC000873188652 642055692 /nfs/dbraw/zinc/05/56/92/642055692.db2.gz KAQCTJWOMMLDQO-UHFFFAOYSA-N 0 1 284.388 2.747 20 30 CFEDMN N#Cc1ccc(COC(=O)[C@@H]2CCCN2C2CCCC2)o1 ZINC000873386326 642173493 /nfs/dbraw/zinc/17/34/93/642173493.db2.gz BQVLSDRPSOPQNJ-HNNXBMFYSA-N 0 1 288.347 2.601 20 30 CFEDMN CC1(CC(=O)C(C#N)C(=O)N2CCCC2)CCCCC1 ZINC000126006655 642915889 /nfs/dbraw/zinc/91/58/89/642915889.db2.gz ZUWIPACWNFTPTE-ZDUSSCGKSA-N 0 1 276.380 2.678 20 30 CFEDMN C[C@@H](CCC#N)CN1CCN(C(=O)OC(C)(C)C)C[C@@H]1C ZINC000876644344 642956114 /nfs/dbraw/zinc/95/61/14/642956114.db2.gz WAUJDSGZXQDCOB-KBPBESRZSA-N 0 1 295.427 2.867 20 30 CFEDMN C=C(Cl)CNC(=O)[C@@H](N)c1cccc(C(F)(F)F)c1 ZINC000876669616 642965366 /nfs/dbraw/zinc/96/53/66/642965366.db2.gz SFLLYNIMCTWYKH-JTQLQIEISA-N 0 1 292.688 2.574 20 30 CFEDMN CCc1ccc(NC(=O)C(C#N)C(=O)[C@H]2CC2(C)C)cc1 ZINC000126103875 642971305 /nfs/dbraw/zinc/97/13/05/642971305.db2.gz ZXWPILPAOPHJNS-ZIAGYGMSSA-N 0 1 284.359 2.942 20 30 CFEDMN CCCN(Cc1cc(C#N)cnc1Cl)CC(C)(C)O ZINC000876692151 642977183 /nfs/dbraw/zinc/97/71/83/642977183.db2.gz YBUMZMFDFLCIRD-UHFFFAOYSA-N 0 1 281.787 2.590 20 30 CFEDMN C=CCN(CCOC)Cc1cc(F)ccc1N(C)C ZINC000877473034 643292126 /nfs/dbraw/zinc/29/21/26/643292126.db2.gz GUCGCIJMQFOBOJ-UHFFFAOYSA-N 0 1 266.360 2.526 20 30 CFEDMN C#CCCCCCCNCc1ncnn1C(C)(C)C ZINC000877501605 643313170 /nfs/dbraw/zinc/31/31/70/643313170.db2.gz RVLMMJZIUKOTMD-UHFFFAOYSA-N 0 1 262.401 2.706 20 30 CFEDMN C#C[C@@H](NCc1ccnn1CC1CCC1)C(C)(C)C ZINC000877535097 643337816 /nfs/dbraw/zinc/33/78/16/643337816.db2.gz ULRLOPWTQDACMC-OAHLLOKOSA-N 0 1 259.397 2.821 20 30 CFEDMN C#C[C@H](N[C@H](C)Cc1cnccn1)c1ccc(F)cc1 ZINC000877544547 643346776 /nfs/dbraw/zinc/34/67/76/643346776.db2.gz QTDCYPRMCISMQX-WBMJQRKESA-N 0 1 269.323 2.511 20 30 CFEDMN CC1(C)[C@@H](CNCc2cc(C#N)cnc2Cl)C1(F)F ZINC000877636359 643419782 /nfs/dbraw/zinc/41/97/82/643419782.db2.gz VBMKZOAVLPPZCG-SNVBAGLBSA-N 0 1 285.725 2.988 20 30 CFEDMN N#CC(C(=O)NC1CC1)C(=O)[C@@H]1CC[C@@H]2CCCC[C@@H]2C1 ZINC000245858049 650838605 /nfs/dbraw/zinc/83/86/05/650838605.db2.gz CTXYJIXFOSJBOF-JLNYLFASSA-N 0 1 288.391 2.580 20 30 CFEDMN CN(CCc1cccc(C#N)c1)Cc1cnc(Cl)n1C ZINC000877704268 643470594 /nfs/dbraw/zinc/47/05/94/643470594.db2.gz GBGBDBIVAGJLKR-UHFFFAOYSA-N 0 1 288.782 2.620 20 30 CFEDMN N#Cc1c(F)cccc1CN1CC[C@H]2CSC[C@H]2C1 ZINC000877741202 643509750 /nfs/dbraw/zinc/50/97/50/643509750.db2.gz XUPCTOVFIKDXGN-QWHCGFSZSA-N 0 1 276.380 2.882 20 30 CFEDMN COC(=O)CC[C@@H]1CCCN(Cc2ccccc2C#N)C1 ZINC000877818039 643581215 /nfs/dbraw/zinc/58/12/15/643581215.db2.gz CSYHRKVWUIKKGC-AWEZNQCLSA-N 0 1 286.375 2.723 20 30 CFEDMN C#CCCCCCN1CCN(C(=O)CC(C)(C)C)CC1 ZINC000877891218 643626014 /nfs/dbraw/zinc/62/60/14/643626014.db2.gz HXIZWNUOFUVUSF-UHFFFAOYSA-N 0 1 278.440 2.760 20 30 CFEDMN C=CC[C@H](C)N1CCN(C(=O)c2c(F)cccc2F)CC1 ZINC000878045719 643711537 /nfs/dbraw/zinc/71/15/37/643711537.db2.gz LXYYEUIHYPOPFV-LBPRGKRZSA-N 0 1 294.345 2.687 20 30 CFEDMN CC(C)CN(CCC#N)C[C@@H]1CCC2(CCOCC2)O1 ZINC000878121302 643746804 /nfs/dbraw/zinc/74/68/04/643746804.db2.gz KEFLMFDWWNEVPE-HNNXBMFYSA-N 0 1 280.412 2.586 20 30 CFEDMN N#CC(C(=O)Nc1ccccc1)C(=O)[C@H]1[C@@H]2CCCC[C@@H]21 ZINC000246477225 650870284 /nfs/dbraw/zinc/87/02/84/650870284.db2.gz LAHUOOOSEREKAO-BARDWOONSA-N 0 1 282.343 2.770 20 30 CFEDMN C[C@H](CNC(=O)OC(C)(C)C)[N@@H+](C)CC1(CC#N)CC1 ZINC000878244337 643806047 /nfs/dbraw/zinc/80/60/47/643806047.db2.gz NUOTUKNYRMXFLL-GFCCVEGCSA-N 0 1 281.400 2.525 20 30 CFEDMN C#C[C@H](NCc1cnc(OC)c2ccccc12)[C@@H]1CCCO1 ZINC000878453694 643901245 /nfs/dbraw/zinc/90/12/45/643901245.db2.gz MSETUUJZTCQFIH-IRXDYDNUSA-N 0 1 296.370 2.514 20 30 CFEDMN N#CCC1(CN2CCC(Oc3ccc(F)nc3)CC2)CC1 ZINC000878503489 643919536 /nfs/dbraw/zinc/91/95/36/643919536.db2.gz PEXLTOCMALYUMU-UHFFFAOYSA-N 0 1 289.354 2.758 20 30 CFEDMN C#CC[C@H]1CCCN(Cc2nc3c(o2)CCCC3)C1 ZINC000878759973 644018085 /nfs/dbraw/zinc/01/80/85/644018085.db2.gz CSJLRIMAOWNKEY-ZDUSSCGKSA-N 0 1 258.365 2.789 20 30 CFEDMN C#CCCN1CCN(Cc2ccccc2C(F)(F)F)CC1 ZINC000127325376 644025861 /nfs/dbraw/zinc/02/58/61/644025861.db2.gz YNOCQSGKNISOQO-UHFFFAOYSA-N 0 1 296.336 2.846 20 30 CFEDMN C#CCN(Cc1cccc2cccnc21)C1CSC1 ZINC000878909441 644071297 /nfs/dbraw/zinc/07/12/97/644071297.db2.gz COYIOGCTBMNIGZ-UHFFFAOYSA-N 0 1 268.385 2.785 20 30 CFEDMN Cc1oncc1CN1CCC(Nc2ccccc2C#N)CC1 ZINC000878962245 644090564 /nfs/dbraw/zinc/09/05/64/644090564.db2.gz JAYVTFOAWJIFGF-UHFFFAOYSA-N 0 1 296.374 2.931 20 30 CFEDMN COc1cc(C#N)ccc1C[N@H+]1C[C@H](OC)CC[C@@H]1C ZINC000879323296 644229177 /nfs/dbraw/zinc/22/91/77/644229177.db2.gz YSEJFVOOYYGACT-SWLSCSKDSA-N 0 1 274.364 2.566 20 30 CFEDMN COc1cc(C#N)ccc1CN1C[C@H](OC)CC[C@@H]1C ZINC000879323296 644229183 /nfs/dbraw/zinc/22/91/83/644229183.db2.gz YSEJFVOOYYGACT-SWLSCSKDSA-N 0 1 274.364 2.566 20 30 CFEDMN CN(CCc1cccc(C#N)c1)Cc1n[nH]c(C(C)(C)C)n1 ZINC000879433210 644271003 /nfs/dbraw/zinc/27/10/03/644271003.db2.gz WITYVANIMCITRM-UHFFFAOYSA-N 0 1 297.406 2.648 20 30 CFEDMN C=CCN1CCC(O)(Cc2nc(C(C)(C)C)cs2)CC1 ZINC000879616947 644349330 /nfs/dbraw/zinc/34/93/30/644349330.db2.gz ZPLCPRHKVSCRNN-UHFFFAOYSA-N 0 1 294.464 2.996 20 30 CFEDMN CC(C)(O)C1CCN(CC#Cc2ccc(F)cc2)CC1 ZINC000879627386 644354464 /nfs/dbraw/zinc/35/44/64/644354464.db2.gz DSYPXGJXFWMUTJ-UHFFFAOYSA-N 0 1 275.367 2.660 20 30 CFEDMN N#Cc1cnccc1CN[C@@H]1CC=CC[C@H]1C(F)(F)F ZINC000879671150 644373644 /nfs/dbraw/zinc/37/36/44/644373644.db2.gz ACEPDWAYMDSWFZ-CHWSQXEVSA-N 0 1 281.281 2.940 20 30 CFEDMN C=CCCC[C@H](C(=O)NOCC(C)(C)O)c1ccccc1 ZINC000879793297 644425889 /nfs/dbraw/zinc/42/58/89/644425889.db2.gz KWGQQCVCYBCTCE-HNNXBMFYSA-N 0 1 291.391 2.945 20 30 CFEDMN COCC1([N@@H+](C)CC#Cc2ccc(F)cc2)CCC1 ZINC000880186143 644569411 /nfs/dbraw/zinc/56/94/11/644569411.db2.gz RNJNYCSGMLLKIG-UHFFFAOYSA-N 0 1 261.340 2.678 20 30 CFEDMN C=CC(C)(C)CC(=O)N1CCN(CC)C[C@@H]1CC ZINC000880227742 644588743 /nfs/dbraw/zinc/58/87/43/644588743.db2.gz VELSBNCKCIUENT-ZDUSSCGKSA-N 0 1 252.402 2.531 20 30 CFEDMN C#CCC1(O)CCN(Cc2cc(-c3ccccc3)no2)CC1 ZINC000880477518 644729822 /nfs/dbraw/zinc/72/98/22/644729822.db2.gz JEBLCJJVMIIPRU-UHFFFAOYSA-N 0 1 296.370 2.692 20 30 CFEDMN C=CCN1CC[C@@H](N2C[C@@H]3CC[C@H]2c2ccccc23)C1=O ZINC000880536826 644754687 /nfs/dbraw/zinc/75/46/87/644754687.db2.gz OBZSXUSMJZZPAG-RRQGHBQHSA-N 0 1 282.387 2.708 20 30 CFEDMN CC(C)C[C@@H](C(N)=O)N(C)CCC1(C#N)CCCCC1 ZINC000880591805 644780872 /nfs/dbraw/zinc/78/08/72/644780872.db2.gz NAGOMUMGMQERBY-AWEZNQCLSA-N 0 1 279.428 2.682 20 30 CFEDMN C=CCCSCCNC(=O)[C@H]1c2cn[nH]c2CC[C@@H]1C ZINC000880669020 644801199 /nfs/dbraw/zinc/80/11/99/644801199.db2.gz BHFWQJDHTMOHMI-SMDDNHRTSA-N 0 1 293.436 2.501 20 30 CFEDMN CCN1CC[C@@H]1CNC(=O)Nc1ccc(C2CC2)c(C#N)c1 ZINC000881118640 644909480 /nfs/dbraw/zinc/90/94/80/644909480.db2.gz DZHJLHMHEJOTJU-OAHLLOKOSA-N 0 1 298.390 2.651 20 30 CFEDMN CC1(C)CC[C@@H](CC(=O)NOc2cccc(C#N)c2)OC1 ZINC000881299513 644946299 /nfs/dbraw/zinc/94/62/99/644946299.db2.gz MZFOZZPUPFGTBY-ZDUSSCGKSA-N 0 1 288.347 2.564 20 30 CFEDMN C=C(Cl)Cn1cc(CN(C)C2CCCCC2)nn1 ZINC000881428417 644971970 /nfs/dbraw/zinc/97/19/70/644971970.db2.gz VSLPHGHRBPRWPP-UHFFFAOYSA-N 0 1 268.792 2.795 20 30 CFEDMN CC[C@@H](C(=O)Nc1ccc(C2CC2)c(C#N)c1)N(C)C ZINC000882312456 645278687 /nfs/dbraw/zinc/27/86/87/645278687.db2.gz PPVMWUNJDYAXDV-HNNXBMFYSA-N 0 1 271.364 2.714 20 30 CFEDMN CCC[C@H]1CN(CCCOc2ccc(C#N)cc2)CCO1 ZINC000131232593 645666996 /nfs/dbraw/zinc/66/69/96/645666996.db2.gz LNKJFWFNDPOZGF-KRWDZBQOSA-N 0 1 288.391 2.828 20 30 CFEDMN C=CCC[C@@H](NCc1nccc(OC)c1F)[C@@H]1CCCO1 ZINC000883236327 645685007 /nfs/dbraw/zinc/68/50/07/645685007.db2.gz YXOUGFVTKCRYAA-OCCSQVGLSA-N 0 1 294.370 2.833 20 30 CFEDMN CC1(C)CN(C(=O)Nc2ccc(C3CC3)c(C#N)c2)CCN1 ZINC000883584007 645899594 /nfs/dbraw/zinc/89/95/94/645899594.db2.gz GKWJOCRHJANFDM-UHFFFAOYSA-N 0 1 298.390 2.651 20 30 CFEDMN CCCCCNC(=O)C(C#N)C(=O)CC1CCSCC1 ZINC000134973279 646423088 /nfs/dbraw/zinc/42/30/88/646423088.db2.gz ZISTVBJGSWQUJY-ZDUSSCGKSA-N 0 1 296.436 2.535 20 30 CFEDMN C[C@@H]1CCc2[nH]ncc2[C@@H]1C(=O)OCCCC(C)(C)C#N ZINC000885259757 646650217 /nfs/dbraw/zinc/65/02/17/646650217.db2.gz NYQODJHEPOSMAQ-BXUZGUMPSA-N 0 1 289.379 2.949 20 30 CFEDMN C[C@H]1CCc2[nH]ncc2[C@@H]1C(=O)OCCCC(C)(C)C#N ZINC000885259768 646651563 /nfs/dbraw/zinc/65/15/63/646651563.db2.gz NYQODJHEPOSMAQ-SMDDNHRTSA-N 0 1 289.379 2.949 20 30 CFEDMN C[C@H]1CCc2[nH]ncc2[C@H]1C(=O)OCC#Cc1ccccc1 ZINC000885260682 646651688 /nfs/dbraw/zinc/65/16/88/646651688.db2.gz REDJXIFWZKRAPX-GUYCJALGSA-N 0 1 294.354 2.671 20 30 CFEDMN C=C(C)COCCNCc1ccc(OC)c(OC)c1F ZINC000886021288 646823217 /nfs/dbraw/zinc/82/32/17/646823217.db2.gz SQEFTOQZRFMCCE-UHFFFAOYSA-N 0 1 283.343 2.525 20 30 CFEDMN C#C[C@H](NC/C=C/c1cccc(F)c1)[C@@H]1CCCO1 ZINC000886070913 646853689 /nfs/dbraw/zinc/85/36/89/646853689.db2.gz XXGBPMVBULGMCO-KBKYZLAFSA-N 0 1 259.324 2.609 20 30 CFEDMN CCCCCCCN(CCS(C)(=O)=O)C(C)C ZINC000137047032 646871388 /nfs/dbraw/zinc/87/13/88/646871388.db2.gz ZZVQLFIIDSOVPK-UHFFFAOYSA-N 0 1 263.447 2.712 20 30 CFEDMN C#CC[C@H]1CC[N@H+](Cc2nc(-c3ccc(F)cc3)no2)C1 ZINC000886353554 646982844 /nfs/dbraw/zinc/98/28/44/646982844.db2.gz LJLNOZLZAADACY-LBPRGKRZSA-N 0 1 285.322 2.721 20 30 CFEDMN C#CC[C@H]1CCN(Cc2nc(-c3ccc(F)cc3)no2)C1 ZINC000886353554 646982846 /nfs/dbraw/zinc/98/28/46/646982846.db2.gz LJLNOZLZAADACY-LBPRGKRZSA-N 0 1 285.322 2.721 20 30 CFEDMN C#CC[C@H]1CC[N@@H+](Cc2nc(-c3ccccc3)no2)C1 ZINC000886353520 646982943 /nfs/dbraw/zinc/98/29/43/646982943.db2.gz KUJWQECBYLWJMN-ZDUSSCGKSA-N 0 1 267.332 2.582 20 30 CFEDMN C#CC[C@H]1CCN(Cc2nc(-c3ccccc3)no2)C1 ZINC000886353520 646982944 /nfs/dbraw/zinc/98/29/44/646982944.db2.gz KUJWQECBYLWJMN-ZDUSSCGKSA-N 0 1 267.332 2.582 20 30 CFEDMN C#CC[C@H]1CC[N@H+](Cc2nc(-c3ccc(C)cc3)no2)C1 ZINC000886353794 646983217 /nfs/dbraw/zinc/98/32/17/646983217.db2.gz PXMVNOXNNSIZJA-AWEZNQCLSA-N 0 1 281.359 2.890 20 30 CFEDMN C#CC[C@H]1CCN(Cc2nc(-c3ccc(C)cc3)no2)C1 ZINC000886353794 646983220 /nfs/dbraw/zinc/98/32/20/646983220.db2.gz PXMVNOXNNSIZJA-AWEZNQCLSA-N 0 1 281.359 2.890 20 30 CFEDMN C#CC[C@@H]1CC[N@H+]([C@@H](C)C(=O)Nc2cccc(C)c2C)C1 ZINC000886353827 646983438 /nfs/dbraw/zinc/98/34/38/646983438.db2.gz QSECHELDNCRTQP-JKSUJKDBSA-N 0 1 284.403 2.976 20 30 CFEDMN C#CC[C@@H]1CCN(Cc2nc(-c3cccc(C)c3)no2)C1 ZINC000886355871 646983953 /nfs/dbraw/zinc/98/39/53/646983953.db2.gz OVUCKEBBULNVAV-CQSZACIVSA-N 0 1 281.359 2.890 20 30 CFEDMN C[C@H]1CCN(CC(=O)NC2(C#N)CCC2)[C@@H]1c1ccccc1 ZINC000886543741 647041057 /nfs/dbraw/zinc/04/10/57/647041057.db2.gz UUPRMSVVCZJJEN-YOEHRIQHSA-N 0 1 297.402 2.632 20 30 CFEDMN C=CCn1cc2ccc(NC(=O)[C@@H](CC)N(C)C)cc2n1 ZINC000886647285 647086403 /nfs/dbraw/zinc/08/64/03/647086403.db2.gz KALLJTXMPJTZFH-OAHLLOKOSA-N 0 1 286.379 2.501 20 30 CFEDMN CCCCCCCCNC(=O)CCc1cnc[nH]1 ZINC000138988103 647143236 /nfs/dbraw/zinc/14/32/36/647143236.db2.gz XVBHVYTWYYYMJS-UHFFFAOYSA-N 0 1 251.374 2.819 20 30 CFEDMN CC(=O)[C@](C#N)(CCN(C)CCCF)c1ccccc1 ZINC000887143798 647229894 /nfs/dbraw/zinc/22/98/94/647229894.db2.gz PNNDNSUEMYIYFM-MRXNPFEDSA-N 0 1 276.355 2.718 20 30 CFEDMN CC(C)[C@@H]1CCC2=NN(c3ccc(C#N)cn3)C(=O)[C@@H]2C1 ZINC000887295198 647262786 /nfs/dbraw/zinc/26/27/86/647262786.db2.gz ZRWBYSDDVWBTOX-CHWSQXEVSA-N 0 1 282.347 2.728 20 30 CFEDMN CCCCCCCC[C@@H](CO)NC(=O)c1[nH]nc(C)c1C ZINC000889695353 647655351 /nfs/dbraw/zinc/65/53/51/647655351.db2.gz JUZKZUVTDNWGAZ-AWEZNQCLSA-N 0 1 295.427 2.868 20 30 CFEDMN COC/C(C)=C\CN1CCC(C#N)(c2ccccn2)CC1 ZINC000930333042 647900623 /nfs/dbraw/zinc/90/06/23/647900623.db2.gz LCWWUKLTDBRBAZ-UUASQNMZSA-N 0 1 285.391 2.531 20 30 CFEDMN C[C@@H](c1cccc(C#N)c1)N1CCc2sc(CN)nc2C1 ZINC000925747472 648307352 /nfs/dbraw/zinc/30/73/52/648307352.db2.gz INEMKHVEYBQZRG-NSHDSACASA-N 0 1 298.415 2.593 20 30 CFEDMN C=C[C@@H]1OCC[C@H]1N[C@@H]1COCc2cccc(Cl)c21 ZINC000926528638 648519628 /nfs/dbraw/zinc/51/96/28/648519628.db2.gz ZRXFDCJCJUTNCM-MCIONIFRSA-N 0 1 279.767 2.844 20 30 CFEDMN C#CCOc1ccc(CN[C@H](C)c2cc(OC)ccn2)cc1 ZINC000926531590 648520585 /nfs/dbraw/zinc/52/05/85/648520585.db2.gz SOBFQXGVQAMUDM-CQSZACIVSA-N 0 1 296.370 2.953 20 30 CFEDMN N#CC(CCc1ccccc1)C(=O)N1CCC[C@H](C#N)C1 ZINC000928219034 648875464 /nfs/dbraw/zinc/87/54/64/648875464.db2.gz NFBHIYIRXTWHTE-HZPDHXFCSA-N 0 1 281.359 2.521 20 30 CFEDMN N#CCCc1ccc(NC(=O)[C@H]2CCCc3[nH]ncc32)cc1 ZINC000928405157 648908222 /nfs/dbraw/zinc/90/82/22/648908222.db2.gz YINVMYPHGAMOCG-AWEZNQCLSA-N 0 1 294.358 2.924 20 30 CFEDMN C#CCN1CCC(NC(=O)[C@H]2CC[C@H](C(C)C)CC2)CC1 ZINC000928655076 648938788 /nfs/dbraw/zinc/93/87/88/648938788.db2.gz QSDJGMKINAQUBY-WKILWMFISA-N 0 1 290.451 2.663 20 30 CFEDMN C#CCN1CCC(NC(=O)[C@H](CCCC)C(C)C)CC1 ZINC000928648669 648939160 /nfs/dbraw/zinc/93/91/60/648939160.db2.gz PQYPHEYTYNGXHQ-MRXNPFEDSA-N 0 1 278.440 2.663 20 30 CFEDMN C=CC1(CC(=O)N2CCc3nc[nH]c3C2)CCCCC1 ZINC000929077995 648975612 /nfs/dbraw/zinc/97/56/12/648975612.db2.gz OBWJVPKAOUMMRL-UHFFFAOYSA-N 0 1 273.380 2.821 20 30 CFEDMN C#CCN1CCC(NC(=O)Nc2cc(C)ccc2C)CC1 ZINC000929091904 648977321 /nfs/dbraw/zinc/97/73/21/648977321.db2.gz VCADYBPVPIAMMY-UHFFFAOYSA-N 0 1 285.391 2.523 20 30 CFEDMN Cc1cccc(OCCN(C)Cc2cncc(C#N)c2)c1 ZINC000929187509 648998049 /nfs/dbraw/zinc/99/80/49/648998049.db2.gz LEYSNIUFOREXOV-UHFFFAOYSA-N 0 1 281.359 2.773 20 30 CFEDMN N#Cc1cncc(CN2CCCO[C@@H](c3ccccc3)C2)c1 ZINC000929528700 649066478 /nfs/dbraw/zinc/06/64/78/649066478.db2.gz DVRQFLPMXICNJN-GOSISDBHSA-N 0 1 293.370 2.917 20 30 CFEDMN CC[C@@H]1COCCN1CCCCC1(C#N)CCC1 ZINC000929660377 649089784 /nfs/dbraw/zinc/08/97/84/649089784.db2.gz TXUZGSYHCVHBMW-CQSZACIVSA-N 0 1 250.386 2.961 20 30 CFEDMN CN(Cc1cncc(C#N)c1)[C@@H](CCO)c1ccccc1 ZINC000929725701 649107204 /nfs/dbraw/zinc/10/72/04/649107204.db2.gz LBDHDBRNYZJWRQ-KRWDZBQOSA-N 0 1 281.359 2.509 20 30 CFEDMN C[C@]1(O)CCCN(Cc2cc(Cl)cc(C#N)c2)C1 ZINC000930149605 649193608 /nfs/dbraw/zinc/19/36/08/649193608.db2.gz VONTVLLPIFBEKH-AWEZNQCLSA-N 0 1 264.756 2.558 20 30 CFEDMN N#Cc1cncc(CN2CCC[C@@H](C[C@H]3CCOC3)C2)c1 ZINC000930180808 649199689 /nfs/dbraw/zinc/19/96/89/649199689.db2.gz XSIDACWLLLLONT-LSDHHAIUSA-N 0 1 285.391 2.592 20 30 CFEDMN C#CC[C@H](NCc1[nH]c(C)nc1C)c1ccccc1 ZINC000930221304 649208385 /nfs/dbraw/zinc/20/83/85/649208385.db2.gz SFYFLWQLWAPUOP-HNNXBMFYSA-N 0 1 253.349 2.881 20 30 CFEDMN CC(C)C[C@H]1C(=O)NCCN1CCCCC1(C#N)CCC1 ZINC000930251116 649214865 /nfs/dbraw/zinc/21/48/65/649214865.db2.gz VAJCXBCXIJZGLN-HNNXBMFYSA-N 0 1 291.439 2.697 20 30 CFEDMN N#CC1CCC(CN2CCOC[C@@H]2CC(F)F)CC1 ZINC000930468547 649255162 /nfs/dbraw/zinc/25/51/62/649255162.db2.gz DKONAYMPLIUNQJ-BPCQOVAHSA-N 0 1 272.339 2.672 20 30 CFEDMN C[C@H](CCC#N)N[C@H]1c2sccc2OC(C)(C)[C@@H]1O ZINC000930547394 649271526 /nfs/dbraw/zinc/27/15/26/649271526.db2.gz MEUIMGKCYBNYMS-SUZMYJTESA-N 0 1 280.393 2.603 20 30 CFEDMN N#CC[C@@H](O)CN1CC[C@H](Sc2cccc(Cl)c2)C1 ZINC000930559526 649274359 /nfs/dbraw/zinc/27/43/59/649274359.db2.gz MJNSEGVKOQPCRX-OCCSQVGLSA-N 0 1 296.823 2.781 20 30 CFEDMN Cc1cc(=O)[n-]c(C(C)(C)[NH2+]CC2CCC(C#N)CC2)n1 ZINC000930661897 649300673 /nfs/dbraw/zinc/30/06/73/649300673.db2.gz OXJLNAPIGRBTOL-UHFFFAOYSA-N 0 1 288.395 2.645 20 30 CFEDMN C[C@@H](NCC1CCC(C#N)CC1)c1csnn1 ZINC000930725445 649315149 /nfs/dbraw/zinc/31/51/49/649315149.db2.gz CUFGEKZBUIOZFL-KPPDAEKUSA-N 0 1 250.371 2.519 20 30 CFEDMN C[C@@H](c1cccc(C#N)c1)N(C)Cc1cnn(CCF)c1 ZINC000930764883 649323266 /nfs/dbraw/zinc/32/32/66/649323266.db2.gz QHXPMPHRMLAXTM-ZDUSSCGKSA-N 0 1 286.354 2.917 20 30 CFEDMN N#Cc1cc(Cl)cc(CN2CC[C@@H]3COC[C@@H]3C2)c1 ZINC000931060301 649373064 /nfs/dbraw/zinc/37/30/64/649373064.db2.gz SVUBCDXMVSRZFB-KGLIPLIRSA-N 0 1 276.767 2.680 20 30 CFEDMN CC(C)(C#N)c1ccccc1CN1CCC[C@H]1c1nnc[nH]1 ZINC000931135438 649384541 /nfs/dbraw/zinc/38/45/41/649384541.db2.gz WBEMKLJXDLQPPM-HNNXBMFYSA-N 0 1 295.390 2.943 20 30 CFEDMN C#CC1(O)CCN(Cc2c(C)cc(C)c(C(C)=O)c2C)CC1 ZINC000931143217 649386120 /nfs/dbraw/zinc/38/61/20/649386120.db2.gz PUKNUPDXWDLBNY-UHFFFAOYSA-N 0 1 299.414 2.775 20 30 CFEDMN CN1c2ccccc2C[N@@H+](CC2CCC(C#N)CC2)CC1=O ZINC000931176258 649391537 /nfs/dbraw/zinc/39/15/37/649391537.db2.gz BFQSSWHBQLHXJV-UHFFFAOYSA-N 0 1 297.402 2.795 20 30 CFEDMN CN1c2ccccc2CN(CC2CCC(C#N)CC2)CC1=O ZINC000931176258 649391542 /nfs/dbraw/zinc/39/15/42/649391542.db2.gz BFQSSWHBQLHXJV-UHFFFAOYSA-N 0 1 297.402 2.795 20 30 CFEDMN N#Cc1cc(Cl)cc(CN2C[C@@H]3CCC[C@]3(CO)C2)c1 ZINC000931261169 649398890 /nfs/dbraw/zinc/39/88/90/649398890.db2.gz ORRFRPLNHVQYOI-GOEBONIOSA-N 0 1 290.794 2.806 20 30 CFEDMN N#Cc1cccc(CN2CCC(c3ncco3)CC2)c1 ZINC000931445940 649429601 /nfs/dbraw/zinc/42/96/01/649429601.db2.gz OLBXOAMYYSSWAN-UHFFFAOYSA-N 0 1 267.332 2.926 20 30 CFEDMN N#Cc1ccc(CN2C[C@@H]3C[C@H]2CN3Cc2ccccc2)o1 ZINC000931494135 649441286 /nfs/dbraw/zinc/44/12/86/649441286.db2.gz QQDUKXKHNHFVKX-HOTGVXAUSA-N 0 1 293.370 2.610 20 30 CFEDMN Cc1nc([C@@H]2CC[N@@H+](Cc3c(C)cc(C#N)cc3C)C2)no1 ZINC000931936627 649515599 /nfs/dbraw/zinc/51/55/99/649515599.db2.gz QFZKQNMQSAHHIG-OAHLLOKOSA-N 0 1 296.374 2.856 20 30 CFEDMN Cc1nc([C@H]2CC[N@H+]([C@@H](C)c3cccc(C#N)c3)C2)no1 ZINC000931936700 649515830 /nfs/dbraw/zinc/51/58/30/649515830.db2.gz FKCCMIUVPUBWAU-NHYWBVRUSA-N 0 1 282.347 2.800 20 30 CFEDMN CC(C)(C)OC[C@H]1CCCN1Cc1cncc(C#N)c1 ZINC000932169086 649557832 /nfs/dbraw/zinc/55/78/32/649557832.db2.gz NFYSBOMDFGJHKE-OAHLLOKOSA-N 0 1 273.380 2.733 20 30 CFEDMN CCN(CCC#N)C(=O)CN[C@@H](C)c1ccc(F)cc1C ZINC000932564362 649620042 /nfs/dbraw/zinc/62/00/42/649620042.db2.gz YRQKQOCNBXXCQZ-ZDUSSCGKSA-N 0 1 291.370 2.547 20 30 CFEDMN C#CCCCCCN1CCn2nc(C3CC3)cc2C1 ZINC000932600799 649626783 /nfs/dbraw/zinc/62/67/83/649626783.db2.gz FSEOBEWAEHVSHS-UHFFFAOYSA-N 0 1 257.381 2.770 20 30 CFEDMN N#CCOc1ccc(CN2CCOC[C@H]2CC2CC2)cc1 ZINC000933210513 649679808 /nfs/dbraw/zinc/67/98/08/649679808.db2.gz SNQNKGGVJMSLES-MRXNPFEDSA-N 0 1 286.375 2.590 20 30 CFEDMN C#CCC1(N[C@H](C)c2nnnn2C2CCCCC2)CCC1 ZINC000933297104 649685577 /nfs/dbraw/zinc/68/55/77/649685577.db2.gz XFZCVWMVVJXWCA-CYBMUJFWSA-N 0 1 287.411 2.775 20 30 CFEDMN COC(=O)[C@H](C1CC1)N1CCC(c2ccc(C#N)cc2)CC1 ZINC000933611519 649706217 /nfs/dbraw/zinc/70/62/17/649706217.db2.gz MAQBEPNANZTSTQ-KRWDZBQOSA-N 0 1 298.386 2.689 20 30 CFEDMN C[C@H](C1CC1)N1CCO[C@@H](c2ccc(C#N)cc2)C1 ZINC000933631654 649707642 /nfs/dbraw/zinc/70/76/42/649707642.db2.gz KMEVFVSLBGFLEK-MLGOLLRUSA-N 0 1 256.349 2.730 20 30 CFEDMN C[C@H](C1CC1)N1CCO[C@H](c2ccc(C#N)cc2)C1 ZINC000933631656 649707840 /nfs/dbraw/zinc/70/78/40/649707840.db2.gz KMEVFVSLBGFLEK-WBMJQRKESA-N 0 1 256.349 2.730 20 30 CFEDMN C=CCN1CCC[C@H](NC(=O)c2ccc(Cl)cc2)C1 ZINC000933636214 649709027 /nfs/dbraw/zinc/70/90/27/649709027.db2.gz GJMZZNJGBPIVNC-AWEZNQCLSA-N 0 1 278.783 2.720 20 30 CFEDMN CC1CC(CN2CCO[C@H](c3ccc(C#N)cc3)C2)C1 ZINC000933631564 649709156 /nfs/dbraw/zinc/70/91/56/649709156.db2.gz KLQRFLDKVMMYQC-PGEKIEPBSA-N 0 1 270.376 2.978 20 30 CFEDMN O=C1C=COC2(CCN(CCSC(F)(F)F)CC2)C1 ZINC000933644072 649709417 /nfs/dbraw/zinc/70/94/17/649709417.db2.gz JHACXWTWYNLFRZ-UHFFFAOYSA-N 0 1 295.326 2.577 20 30 CFEDMN CN(CCc1ccns1)Cc1cc(C#N)cs1 ZINC000933769632 649720621 /nfs/dbraw/zinc/72/06/21/649720621.db2.gz AYNJPHIPEOYCKF-UHFFFAOYSA-N 0 1 263.391 2.751 20 30 CFEDMN COCC#CCN1CC=C(c2c[nH]c3ccccc32)CC1 ZINC000933819746 649723147 /nfs/dbraw/zinc/72/31/47/649723147.db2.gz RFYXDJUHSQUJGU-UHFFFAOYSA-N 0 1 280.371 2.907 20 30 CFEDMN N#Cc1cnccc1CN1CCCSC[C@H]1C1CC1 ZINC000933918621 649732892 /nfs/dbraw/zinc/73/28/92/649732892.db2.gz VOGVMCFTVFHQMX-HNNXBMFYSA-N 0 1 273.405 2.671 20 30 CFEDMN C=CC[C@@H]1CCN1[C@@H](C)C(=O)N1CCc2sccc2C1 ZINC000934469939 649790641 /nfs/dbraw/zinc/79/06/41/649790641.db2.gz KLHZJLVWBAGYCB-GXTWGEPZSA-N 0 1 290.432 2.672 20 30 CFEDMN C=CC[C@@H]1CCN1[C@@H](C)C(=O)N1CCc2ccccc21 ZINC000934472615 649791172 /nfs/dbraw/zinc/79/11/72/649791172.db2.gz ORNIXLDNWSRXAS-DZGCQCFKSA-N 0 1 270.376 2.615 20 30 CFEDMN C(=NNc1ncnc2[nH]cnc21)c1ccc2ccccc2c1 ZINC000254506164 651091342 /nfs/dbraw/zinc/09/13/42/651091342.db2.gz MGIFYIVHWNVOTF-UHFFFAOYSA-N 0 1 288.314 2.952 20 30 CFEDMN O=[N+]([O-])c1cccc(C=NN=c2[nH]c3ccccc3[nH]2)c1 ZINC000254812688 651095991 /nfs/dbraw/zinc/09/59/91/651095991.db2.gz SDCHDLZVSQKIBQ-UHFFFAOYSA-N 0 1 281.275 2.917 20 30 CFEDMN C=C(C)CN1CCC[C@H](NC(=O)c2[nH]ccc2C2CC2)C1 ZINC001007472758 651135898 /nfs/dbraw/zinc/13/58/98/651135898.db2.gz DMDPPRZPBPFWTQ-AWEZNQCLSA-N 0 1 287.407 2.662 20 30 CFEDMN C=C(C)CN1CCC[C@@H](NC(=O)c2nc(C)sc2C)C1 ZINC001007597138 651137110 /nfs/dbraw/zinc/13/71/10/651137110.db2.gz PORYUNAEKCDBAQ-CYBMUJFWSA-N 0 1 293.436 2.530 20 30 CFEDMN C=CCN1CCC[C@@H](NC(=O)[C@H]2CCCc3ccccc32)C1 ZINC001007630785 651137216 /nfs/dbraw/zinc/13/72/16/651137216.db2.gz AXHMSRIILHZNBB-AEFFLSMTSA-N 0 1 298.430 2.873 20 30 CFEDMN C=CCN1CCC[C@H](NC(=O)c2cc(C)c(F)cc2F)C1 ZINC001007604389 651137240 /nfs/dbraw/zinc/13/72/40/651137240.db2.gz NVVGXERMOJWJFO-LBPRGKRZSA-N 0 1 294.345 2.653 20 30 CFEDMN C=CCN1CCC[C@@H](NC(=O)[C@@H]2C[C@]2(C)c2ccccc2)C1 ZINC001007999070 651140815 /nfs/dbraw/zinc/14/08/15/651140815.db2.gz RGFRTYBMZHBMQZ-ZIFCJYIRSA-N 0 1 298.430 2.731 20 30 CFEDMN C=CCN1CCC[C@@H](NC(=O)C[C@@H]2CCCC2(F)F)C1 ZINC001008308027 651146118 /nfs/dbraw/zinc/14/61/18/651146118.db2.gz ARKQCRLZSOZXLZ-QWHCGFSZSA-N 0 1 286.366 2.579 20 30 CFEDMN C=C(C)CN1CCC[C@@H](NC(=O)[C@H]2CCC(C)(C)C2)C1 ZINC001008445975 651148292 /nfs/dbraw/zinc/14/82/92/651148292.db2.gz BPESYHXETBWHTA-LSDHHAIUSA-N 0 1 278.440 2.969 20 30 CFEDMN C=CCN1CCC[C@H](NC(=O)[C@H]2CCCC(F)(F)C2)C1 ZINC001008499906 651149235 /nfs/dbraw/zinc/14/92/35/651149235.db2.gz KNKZFXIMEJRRKL-STQMWFEESA-N 0 1 286.366 2.579 20 30 CFEDMN C=CCN1CCC[C@H](NC(=O)[C@H](C)c2cccs2)C1 ZINC001008502416 651149826 /nfs/dbraw/zinc/14/98/26/651149826.db2.gz PNAKVSPATDTZCP-OLZOCXBDSA-N 0 1 278.421 2.618 20 30 CFEDMN CC#CCN1CCC[C@@H](NC(=O)CC2CCCCCC2)C1 ZINC001008686281 651152449 /nfs/dbraw/zinc/15/24/49/651152449.db2.gz BDYBFRICQJVCOS-QGZVFWFLSA-N 0 1 290.451 2.951 20 30 CFEDMN C=CCN1CCC[C@H](NC(=O)c2csc(Cl)c2)C1 ZINC001008761637 651153705 /nfs/dbraw/zinc/15/37/05/651153705.db2.gz QBYUNKKMONCIBE-NSHDSACASA-N 0 1 284.812 2.782 20 30 CFEDMN C=C(C)CN1CCC[C@H](NC(=O)c2cnoc2C(C)C)C1 ZINC001009074305 651155180 /nfs/dbraw/zinc/15/51/80/651155180.db2.gz MRYHCSXZSBXLIE-ZDUSSCGKSA-N 0 1 291.395 2.568 20 30 CFEDMN C=C(C)CN1CCC[C@H](NC(=O)[C@H]2CC23CCCC3)C1 ZINC001009080821 651156096 /nfs/dbraw/zinc/15/60/96/651156096.db2.gz XQTAOCCRJFEZSY-LSDHHAIUSA-N 0 1 276.424 2.723 20 30 CFEDMN C=CCN1CCC[C@@H](NC(=O)c2ccc3ccn(C)c3c2)C1 ZINC001009093344 651156145 /nfs/dbraw/zinc/15/61/45/651156145.db2.gz IXKIAKBNNRHHKQ-MRXNPFEDSA-N 0 1 297.402 2.559 20 30 CFEDMN C=C(C)CN1CCC[C@H](NC(=O)[C@@H]2CC23CCCC3)C1 ZINC001009080815 651156357 /nfs/dbraw/zinc/15/63/57/651156357.db2.gz XQTAOCCRJFEZSY-GJZGRUSLSA-N 0 1 276.424 2.723 20 30 CFEDMN C=C(C)CN1CCC[C@@H](NC(=O)c2cc(F)cc(F)c2)C1 ZINC001009425228 651160781 /nfs/dbraw/zinc/16/07/81/651160781.db2.gz NUPIHKQEFFXPOB-OAHLLOKOSA-N 0 1 294.345 2.735 20 30 CFEDMN C=CCCN1CCC[C@@H](NC(=O)c2scnc2Cl)C1 ZINC001009545708 651161806 /nfs/dbraw/zinc/16/18/06/651161806.db2.gz VMWJEZDGWMISSQ-SNVBAGLBSA-N 0 1 299.827 2.567 20 30 CFEDMN C=CCN1CCC[C@H](NC(=O)[C@@]2(C)CC=C(C)CC2)C1 ZINC001009615291 651162286 /nfs/dbraw/zinc/16/22/86/651162286.db2.gz ZXQRJVDXYUIVMQ-RDJZCZTQSA-N 0 1 276.424 2.890 20 30 CFEDMN C=CCN1CCC[C@H](NC(=O)[C@@H]2CCCCC2(C)C)C1 ZINC001009664762 651163110 /nfs/dbraw/zinc/16/31/10/651163110.db2.gz XPCJZXRONTWMDG-GJZGRUSLSA-N 0 1 278.440 2.969 20 30 CFEDMN C=CCN1CCC[C@H](NC(=O)c2coc3ccccc23)C1 ZINC001009729200 651164083 /nfs/dbraw/zinc/16/40/83/651164083.db2.gz PCLWWMYXJHAEOC-ZDUSSCGKSA-N 0 1 284.359 2.813 20 30 CFEDMN C=C(C)CN1CC[C@@H](NC(=O)c2ccc3nc(C)oc3c2)C1 ZINC001014802002 651191854 /nfs/dbraw/zinc/19/18/54/651191854.db2.gz SEWZULFNCBEMKF-CQSZACIVSA-N 0 1 299.374 2.516 20 30 CFEDMN C=C(C)CN1CC[C@H](NC(=O)c2ccc3oc(C)nc3c2)C1 ZINC001014873212 651192751 /nfs/dbraw/zinc/19/27/51/651192751.db2.gz ZAHXQSQHOUEUJR-AWEZNQCLSA-N 0 1 299.374 2.516 20 30 CFEDMN C=CCN1CC[C@H](NC(=O)c2ccc3cc(C)ccc3n2)C1 ZINC001015207600 651197281 /nfs/dbraw/zinc/19/72/81/651197281.db2.gz WFCLKSXHDJXZRZ-HNNXBMFYSA-N 0 1 295.386 2.533 20 30 CFEDMN C=CCN1CC[C@@H](NC(=O)c2ccc(C)c(Cl)c2F)C1 ZINC001015373018 651200117 /nfs/dbraw/zinc/20/01/17/651200117.db2.gz NQOIFUYXHHNTCI-LLVKDONJSA-N 0 1 296.773 2.778 20 30 CFEDMN C=C(C)CN1CC[C@H](NC(=O)C2(C3CCC3)CCC2)C1 ZINC001015421200 651200661 /nfs/dbraw/zinc/20/06/61/651200661.db2.gz GQGDUURVKFXTKX-HNNXBMFYSA-N 0 1 276.424 2.723 20 30 CFEDMN C=C(C)CN1CC[C@@H](NC(=O)c2cc3ccsc3[nH]2)C1 ZINC001015454286 651201175 /nfs/dbraw/zinc/20/11/75/651201175.db2.gz BPVWYDXAAFBLGM-GFCCVEGCSA-N 0 1 289.404 2.610 20 30 CFEDMN C=C(C)CN1CC[C@@H](NC(=O)c2occc2C(C)C)C1 ZINC001015595820 651205028 /nfs/dbraw/zinc/20/50/28/651205028.db2.gz JNGHHJHGGWGRIX-CYBMUJFWSA-N 0 1 276.380 2.783 20 30 CFEDMN C=C(C)CN1CC[C@H](NC(=O)c2cc(F)ccc2Cl)C1 ZINC001015747706 651212253 /nfs/dbraw/zinc/21/22/53/651212253.db2.gz UWIVIUNWEVWOCX-LBPRGKRZSA-N 0 1 296.773 2.859 20 30 CFEDMN C=C(C)CN1CC[C@H](NC(=O)c2cc([C@H](C)CC)no2)C1 ZINC001015811783 651214770 /nfs/dbraw/zinc/21/47/70/651214770.db2.gz NCEZRKUSIPBNLE-OLZOCXBDSA-N 0 1 291.395 2.568 20 30 CFEDMN C=CCN1CC[C@@H](NC(=O)C23CCC(CC2)C3(C)C)C1 ZINC001015812192 651214846 /nfs/dbraw/zinc/21/48/46/651214846.db2.gz VVTWMZFEJAIKCQ-XOYHFGRZSA-N 0 1 276.424 2.579 20 30 CFEDMN C=CCN1CC[C@H](NC(=O)c2ccc(C(F)F)cc2)C1 ZINC001015845366 651215839 /nfs/dbraw/zinc/21/58/39/651215839.db2.gz JWIIUQROTKYEPF-ZDUSSCGKSA-N 0 1 280.318 2.614 20 30 CFEDMN C=CCN1CC[C@@H](NC(=O)c2cccc(C)c2Cl)C1 ZINC001015874185 651217032 /nfs/dbraw/zinc/21/70/32/651217032.db2.gz SYPTWWLUBXTIJL-GFCCVEGCSA-N 0 1 278.783 2.639 20 30 CFEDMN C=CCN1CC[C@H](NC(=O)c2cccc(C(C)C)c2)C1 ZINC001015943552 651218154 /nfs/dbraw/zinc/21/81/54/651218154.db2.gz OEJAVYWABUGISE-INIZCTEOSA-N 0 1 272.392 2.800 20 30 CFEDMN C=CCN1CC[C@@H](NC(=O)c2cccc3ccsc32)C1 ZINC001015947233 651218811 /nfs/dbraw/zinc/21/88/11/651218811.db2.gz KULHHBAZLKSWLG-CYBMUJFWSA-N 0 1 286.400 2.891 20 30 CFEDMN C=C(C)CN1CC[C@H](NC(=O)c2ncsc2C(C)C)C1 ZINC001015979245 651219599 /nfs/dbraw/zinc/21/95/99/651219599.db2.gz VGWVOQDZVLWZML-LBPRGKRZSA-N 0 1 293.436 2.647 20 30 CFEDMN C=C(C)CN1CC[C@@H](NC(=O)c2ccoc2CCC)C1 ZINC001015990389 651220119 /nfs/dbraw/zinc/22/01/19/651220119.db2.gz JYNJFAVHBSWCAD-CYBMUJFWSA-N 0 1 276.380 2.612 20 30 CFEDMN C=CCN1CC[C@H](NC(=O)c2ccc(C)c(C)c2Cl)C1 ZINC001015995399 651220210 /nfs/dbraw/zinc/22/02/10/651220210.db2.gz UEQQWGJSECUGAX-ZDUSSCGKSA-N 0 1 292.810 2.947 20 30 CFEDMN C=CCN1CC[C@@H](NC(=O)[C@H]2CC[C@H](CC)CC2)C1 ZINC001016039073 651222079 /nfs/dbraw/zinc/22/20/79/651222079.db2.gz CFZYMFHPWPWPRK-RBSFLKMASA-N 0 1 264.413 2.579 20 30 CFEDMN C=CCN1CC[C@@H](NC(=O)c2ccc3c(c2)CCCC3)C1 ZINC001016172347 651227143 /nfs/dbraw/zinc/22/71/43/651227143.db2.gz CGVSOYYZHFPORD-QGZVFWFLSA-N 0 1 284.403 2.556 20 30 CFEDMN C=C(C)CN1CC[C@H](NC(=O)c2cc3ccccc3[nH]2)C1 ZINC001016211086 651228228 /nfs/dbraw/zinc/22/82/28/651228228.db2.gz KFRWOIFISCHYEU-AWEZNQCLSA-N 0 1 283.375 2.548 20 30 CFEDMN C=C(C)CN1CC[C@H](NC(=O)c2ccc(CF)cc2)C1 ZINC001016365731 651231329 /nfs/dbraw/zinc/23/13/29/651231329.db2.gz XOBPJEKADDDTCE-HNNXBMFYSA-N 0 1 276.355 2.536 20 30 CFEDMN C=CCN1CC[C@H](NC(=O)c2cccc(C3CC3)c2)C1 ZINC001016356455 651231615 /nfs/dbraw/zinc/23/16/15/651231615.db2.gz IKVFKWVJHZRFEH-INIZCTEOSA-N 0 1 270.376 2.554 20 30 CFEDMN C=C(C)CN1CC[C@H](NC(=O)C23CC(C(C)(C)C)(C2)C3)C1 ZINC001016375001 651232210 /nfs/dbraw/zinc/23/22/10/651232210.db2.gz KWHJHPDZJHDIAG-NNGSBXSVSA-N 0 1 290.451 2.969 20 30 CFEDMN C=CCN1CC[C@@H](NC(=O)C(C)(C)c2ccccc2C)C1 ZINC001016410421 651232805 /nfs/dbraw/zinc/23/28/05/651232805.db2.gz AZPAUMUMKSTVSR-OAHLLOKOSA-N 0 1 286.419 2.649 20 30 CFEDMN C=C(C)CN1CC[C@@H](NC(=O)C2(C)C(C)(C)C2(C)C)C1 ZINC001016418158 651233747 /nfs/dbraw/zinc/23/37/47/651233747.db2.gz YLIUZZOVKYONFG-CYBMUJFWSA-N 0 1 278.440 2.825 20 30 CFEDMN C=CCN1CC[C@H](NC(=O)c2ccc(C(C)(F)F)cc2)C1 ZINC001016442003 651233855 /nfs/dbraw/zinc/23/38/55/651233855.db2.gz YCBVNTBRVCHSRW-AWEZNQCLSA-N 0 1 294.345 2.788 20 30 CFEDMN C=C(Cl)CN1CCC2(C[C@H]2NC(=O)[C@@H](C)C2CC2)CC1 ZINC001016561663 651237270 /nfs/dbraw/zinc/23/72/70/651237270.db2.gz BTJVTNOLNHJJLO-GXTWGEPZSA-N 0 1 296.842 2.756 20 30 CFEDMN C=C(Cl)CN1CCC2(C[C@H]2NC(=O)[C@@H]2C[C@H]2CC)CC1 ZINC001016844119 651241606 /nfs/dbraw/zinc/24/16/06/651241606.db2.gz GGMJCXGPEKSFCI-MGPQQGTHSA-N 0 1 296.842 2.756 20 30 CFEDMN C=CCCN1C[C@H]2CC[C@@H](C1)N2C(=O)c1cc(C)oc1C ZINC001017344714 651250340 /nfs/dbraw/zinc/25/03/40/651250340.db2.gz SQJXWUHBUQUJIB-GASCZTMLSA-N 0 1 288.391 2.761 20 30 CFEDMN C#CCCN1C[C@H]2CC[C@@H](C1)N2C(=O)C1=CCCCCC1 ZINC001017501751 651252536 /nfs/dbraw/zinc/25/25/36/651252536.db2.gz USEMVVOCPHPYER-CALCHBBNSA-N 0 1 286.419 2.575 20 30 CFEDMN C#CCCN1C[C@H]2CC[C@@H](C1)N2C(=O)CC1CC(C)(C)C1 ZINC001017842438 651259717 /nfs/dbraw/zinc/25/97/17/651259717.db2.gz QZCYCCQCCNCOLD-IYBDPMFKSA-N 0 1 288.435 2.511 20 30 CFEDMN C=C(C)CN1C[C@H]2CC[C@@H](C1)N2C(=O)Cc1cccc(C)c1 ZINC001017868506 651260130 /nfs/dbraw/zinc/26/01/30/651260130.db2.gz WMHXAAWPVDVRMM-HDICACEKSA-N 0 1 298.430 2.789 20 30 CFEDMN C=CCCN1C[C@H]2CC[C@@H](C1)N2C(=O)c1ccc(C)cc1 ZINC001018210874 651266802 /nfs/dbraw/zinc/26/68/02/651266802.db2.gz QWNCGLPVPPWTTN-CALCHBBNSA-N 0 1 284.403 2.860 20 30 CFEDMN C=C(C)CN1C[C@H]2CC[C@@H](C1)N2C(=O)C[C@@H](C)C1CC1 ZINC001018321708 651268785 /nfs/dbraw/zinc/26/87/85/651268785.db2.gz YXGAWNDZJDSUDL-BMFZPTHFSA-N 0 1 276.424 2.674 20 30 CFEDMN C=C(Cl)CN[C@H]1CCN(C(=O)C2CCCCCC2)C1 ZINC001018611419 651273914 /nfs/dbraw/zinc/27/39/14/651273914.db2.gz WFGFZYAHLRFICE-AWEZNQCLSA-N 0 1 284.831 2.900 20 30 CFEDMN C=CCNC(=O)C(C#N)C(=O)C[C@H](CC)CCCC ZINC000117532335 651286098 /nfs/dbraw/zinc/28/60/98/651286098.db2.gz WMZRYCNVFYYRID-CHWSQXEVSA-N 0 1 264.369 2.604 20 30 CFEDMN C=C(Cl)CN[C@H]1CCN(C(=O)CCc2ccccc2)C1 ZINC001019694192 651289876 /nfs/dbraw/zinc/28/98/76/651289876.db2.gz IMIOBSCSUQYZLC-HNNXBMFYSA-N 0 1 292.810 2.562 20 30 CFEDMN C=CCC[N@@H+]1CC[C@H]1CN(C)C(=O)[C@@H]1CC12CCCC2 ZINC001085910242 782201312 /nfs/dbraw/zinc/20/13/12/782201312.db2.gz BONYKPBJGMRROD-GJZGRUSLSA-N 0 1 276.424 2.676 20 30 CFEDMN C#CCCN1CC[C@@H]1CN(C)C(=O)c1c(C)cc(C)cc1C ZINC001085960985 782220586 /nfs/dbraw/zinc/22/05/86/782220586.db2.gz UKGPNZHNWLMCER-QGZVFWFLSA-N 0 1 298.430 2.781 20 30 CFEDMN C=C(C)CN1CC[C@@H]1CN(C)C(=O)C1CCC=CCC1 ZINC001085975867 782225766 /nfs/dbraw/zinc/22/57/66/782225766.db2.gz HRFRSUVWAFXTIR-MRXNPFEDSA-N 0 1 276.424 2.842 20 30 CFEDMN C#CCCN1CC[C@H]1CN(C)C(=O)c1ccc(C2CC2)cc1 ZINC001085982378 782226761 /nfs/dbraw/zinc/22/67/61/782226761.db2.gz IGEGZMGKERCLQD-SFHVURJKSA-N 0 1 296.414 2.734 20 30 CFEDMN C#CC[C@H](CC)Oc1[nH]c(=O)nc2cccc(OC)c21 ZINC001229238690 776762403 /nfs/dbraw/zinc/76/24/03/776762403.db2.gz IDDCOADGKANXKY-JTQLQIEISA-N 0 1 272.304 2.525 20 30 CFEDMN C#CCN1CC[C@H](NC(=O)[C@H]2CCCCC2(C)C)[C@H]1CC ZINC001087843096 777718887 /nfs/dbraw/zinc/71/88/87/777718887.db2.gz CTUPOHZRMBLUAP-OWCLPIDISA-N 0 1 290.451 2.805 20 30 CFEDMN C=C(Cl)CNC[C@@H](CC(C)C)NC(=O)C(C)C ZINC001271246958 777811007 /nfs/dbraw/zinc/81/10/07/777811007.db2.gz OIIJZPMCGMDMMR-GFCCVEGCSA-N 0 1 260.809 2.515 20 30 CFEDMN C#CCN[C@H](CNC(=O)C1(CC)CC1)c1ccccc1CC ZINC001271444919 777857469 /nfs/dbraw/zinc/85/74/69/777857469.db2.gz CHJFYQUCJVJFNP-QGZVFWFLSA-N 0 1 298.430 2.819 20 30 CFEDMN CCOC(=O)c1ccc(CN2CCC(C#N)CC2)cc1 ZINC001142576021 778506070 /nfs/dbraw/zinc/50/60/70/778506070.db2.gz LNYKTWKJWPNEGR-UHFFFAOYSA-N 0 1 272.348 2.599 20 30 CFEDMN C=CCN1CC[C@H](N(C)C(=O)c2cccc3cnccc32)C1 ZINC001033654653 780742246 /nfs/dbraw/zinc/74/22/46/780742246.db2.gz CJVUJOVVRNNLQZ-HNNXBMFYSA-N 0 1 295.386 2.567 20 30 CFEDMN C=CCN1CC[C@@H](N(C)C(=O)C(C)(C)c2ccccc2)C1 ZINC001033648570 780742991 /nfs/dbraw/zinc/74/29/91/780742991.db2.gz QIESLEKZTJHPDM-MRXNPFEDSA-N 0 1 286.419 2.683 20 30 CFEDMN CC#CC[N@@H+]1CC[C@@H](N(CC)C(=O)[C@@H]2C[C@H]2C(C)(C)C)C1 ZINC001033896124 780820375 /nfs/dbraw/zinc/82/03/75/780820375.db2.gz YVIGYJVRCKXNLO-BZUAXINKSA-N 0 1 290.451 2.615 20 30 CFEDMN CC#CCN1CC[C@@H](N(CC)C(=O)[C@@H]2C[C@H]2C(C)(C)C)C1 ZINC001033896124 780820385 /nfs/dbraw/zinc/82/03/85/780820385.db2.gz YVIGYJVRCKXNLO-BZUAXINKSA-N 0 1 290.451 2.615 20 30 CFEDMN C=CC[N@@H+]1CC[C@H](N(CC)C(=O)c2ccc(C)c(F)c2)C1 ZINC001033894125 780820481 /nfs/dbraw/zinc/82/04/81/780820481.db2.gz UVDRYHIGXHOWOM-HNNXBMFYSA-N 0 1 290.382 2.857 20 30 CFEDMN C=CCN1CC[C@H](N(CC)C(=O)c2ccc(C)c(F)c2)C1 ZINC001033894125 780820487 /nfs/dbraw/zinc/82/04/87/780820487.db2.gz UVDRYHIGXHOWOM-HNNXBMFYSA-N 0 1 290.382 2.857 20 30 CFEDMN C=CCN1CC[C@@H](N(CC)C(=O)[C@@H]2C[C@H]2c2ccccc2)C1 ZINC001034011977 780855414 /nfs/dbraw/zinc/85/54/14/780855414.db2.gz BDGUUROTQGSSAP-FGTMMUONSA-N 0 1 298.430 2.899 20 30 CFEDMN C=CCN1CC[C@@H](N(CC)C(=O)[C@@H]2CC23CCCC3)C1 ZINC001034016317 780855734 /nfs/dbraw/zinc/85/57/34/780855734.db2.gz HTPBVROPOKHTCE-CABCVRRESA-N 0 1 276.424 2.676 20 30 CFEDMN C=C(C)CN(CC)c1nc[nH]c2nc(=S)sc1-2 ZINC001167050772 769847674 /nfs/dbraw/zinc/84/76/74/769847674.db2.gz HNVDJUPBKXTCJI-UHFFFAOYSA-N 0 1 266.395 2.777 20 30 CFEDMN C=CCCN1CC[C@@H]1CNC(=O)c1sccc1CC ZINC001039040878 769923891 /nfs/dbraw/zinc/92/38/91/769923891.db2.gz WQSAWRCCNLZXNS-CYBMUJFWSA-N 0 1 278.421 2.691 20 30 CFEDMN N#Cc1csc(CNCc2cccc3c2OCC3)c1 ZINC000692982060 769959416 /nfs/dbraw/zinc/95/94/16/769959416.db2.gz WPNRHQGADDPEPA-UHFFFAOYSA-N 0 1 270.357 2.844 20 30 CFEDMN CC(C)(C)OC(=O)N1CC[C@@H]1CN1CCC[C@@H](CC#N)C1 ZINC001208995574 769969062 /nfs/dbraw/zinc/96/90/62/769969062.db2.gz VOYPXFKFZDLNSA-UONOGXRCSA-N 0 1 293.411 2.621 20 30 CFEDMN CC#CCN1CC[C@@H](NC(=O)[C@@H](CCC)c2ccccc2)C1 ZINC001266355757 770013526 /nfs/dbraw/zinc/01/35/26/770013526.db2.gz NONOUFCTZJUHQI-MSOLQXFVSA-N 0 1 298.430 2.784 20 30 CFEDMN C=CC[C@H](C(=O)N[C@H]1CCN(CC=C)C1)c1ccccc1 ZINC001266360791 770020877 /nfs/dbraw/zinc/02/08/77/770020877.db2.gz CDUNDEOTCUWIPA-IRXDYDNUSA-N 0 1 284.403 2.723 20 30 CFEDMN C#CCCCN1CCc2c(c3cc(OC)ccc3n2C)C1 ZINC001209266019 770028569 /nfs/dbraw/zinc/02/85/69/770028569.db2.gz FDOHQPLSHULULD-UHFFFAOYSA-N 0 1 282.387 2.958 20 30 CFEDMN N#CCCN(CCN1CCOCC1)C1CCCCCCC1 ZINC001209291852 770032311 /nfs/dbraw/zinc/03/23/11/770032311.db2.gz JRHCFKHZKXNWLX-UHFFFAOYSA-N 0 1 293.455 2.647 20 30 CFEDMN CC#CCN(CC)CCNC(=O)C1[C@H]2CCCCCC[C@H]12 ZINC001266417871 770113562 /nfs/dbraw/zinc/11/35/62/770113562.db2.gz KVMOYMSXUVZVTC-HOTGVXAUSA-N 0 1 290.451 2.664 20 30 CFEDMN Cc1cc(N)ncc1Nc1c(C#N)cnn1-c1ccccc1 ZINC001209964960 770175642 /nfs/dbraw/zinc/17/56/42/770175642.db2.gz JKNQNXFWNBRPJY-UHFFFAOYSA-N 0 1 290.330 2.773 20 30 CFEDMN C#CCN1CCC[C@@H]1CNC(=O)[C@H](CC)CC1CCCC1 ZINC001266485574 770201577 /nfs/dbraw/zinc/20/15/77/770201577.db2.gz FFOOWMWHNGMCAZ-IAGOWNOFSA-N 0 1 290.451 2.807 20 30 CFEDMN CC(C)n1cc(Nc2cc(C#N)c(F)cc2O)cn1 ZINC001210323459 770262425 /nfs/dbraw/zinc/26/24/25/770262425.db2.gz WLWTUYQPMQHRJB-UHFFFAOYSA-N 0 1 260.272 2.924 20 30 CFEDMN C=C(Cl)CN1CC[C@H]([C@H]2CCCCN2C(=O)C2CC2)C1 ZINC001039186090 770268796 /nfs/dbraw/zinc/26/87/96/770268796.db2.gz XNGRTCRASIRSBZ-LSDHHAIUSA-N 0 1 296.842 2.852 20 30 CFEDMN C=C(Cl)CN1CC[C@@H]([C@H]2CCCCN2C(=O)C2CC2)C1 ZINC001039186089 770269598 /nfs/dbraw/zinc/26/95/98/770269598.db2.gz XNGRTCRASIRSBZ-HUUCEWRRSA-N 0 1 296.842 2.852 20 30 CFEDMN N#CC[C@H]1CCC[N@H+](Cc2ccc(C(=O)[O-])cc2)C1 ZINC000397840179 770349601 /nfs/dbraw/zinc/34/96/01/770349601.db2.gz PGCYCTVGPXJVFY-GFCCVEGCSA-N 0 1 258.321 2.510 20 30 CFEDMN C=CC(C)(C)CC(=O)N(C)CCNCC=C(Cl)Cl ZINC001266712083 770548023 /nfs/dbraw/zinc/54/80/23/770548023.db2.gz MTKOKXOUZKWJTE-UHFFFAOYSA-N 0 1 293.238 2.956 20 30 CFEDMN CCCCCCCCCN1CCNC(=O)[C@@H]1CC ZINC001167468364 770580690 /nfs/dbraw/zinc/58/06/90/770580690.db2.gz QUQNHVCTNYKKDK-AWEZNQCLSA-N 0 1 254.418 2.947 20 30 CFEDMN C=C(Cl)CNCCN(C)C(=O)c1coc(C(F)F)c1 ZINC001266817918 770642987 /nfs/dbraw/zinc/64/29/87/770642987.db2.gz QEWJIRRIZPCMQA-UHFFFAOYSA-N 0 1 292.713 2.631 20 30 CFEDMN C=C(Cl)CNCCN(C)C(=O)[C@@H]1CCCC[C@@H]1C ZINC001266819235 770643650 /nfs/dbraw/zinc/64/36/50/770643650.db2.gz CIAVSHWKIZQSSU-WCQYABFASA-N 0 1 272.820 2.613 20 30 CFEDMN C#CCN1CCCC[C@H]1CNC(=O)[C@@H](CC)CC(C)C ZINC001266857703 770685775 /nfs/dbraw/zinc/68/57/75/770685775.db2.gz OLWZCZJDOVLEKA-HOTGVXAUSA-N 0 1 278.440 2.663 20 30 CFEDMN C=CC(C)(C)C(=O)NC[C@@H](C)NCc1cccc(Cl)n1 ZINC001266963036 770772030 /nfs/dbraw/zinc/77/20/30/770772030.db2.gz YFXOILIIIPLARG-LLVKDONJSA-N 0 1 295.814 2.542 20 30 CFEDMN C#CCSCCNCc1nc(-c2ccccc2)c[nH]1 ZINC000194328536 770893151 /nfs/dbraw/zinc/89/31/51/770893151.db2.gz ZWXBUVUMVYXTBJ-UHFFFAOYSA-N 0 1 271.389 2.533 20 30 CFEDMN C=CC(C)(C)CC(=O)NCCN(C)Cc1cccc(C#N)c1 ZINC001267197313 773201524 /nfs/dbraw/zinc/20/15/24/773201524.db2.gz JIDVLZNZGQUUNT-UHFFFAOYSA-N 0 1 299.418 2.709 20 30 CFEDMN CC(C)(C)n1cc(/C=C\C(=O)c2cc(F)ccc2O)nn1 ZINC000588579196 775134481 /nfs/dbraw/zinc/13/44/81/775134481.db2.gz OPPUAWBHBIOIKT-ALCCZGGFSA-N 0 1 289.310 2.774 20 30 CFEDMN C=C1O[C@H](CC)C(=O)C1OCCc1ccc([N+](=O)[O-])cc1 ZINC001224334251 775160740 /nfs/dbraw/zinc/16/07/40/775160740.db2.gz UNZZJTXEZNKSRM-CYBMUJFWSA-N 0 1 291.303 2.763 20 30 CFEDMN C=CCCN1CC[C@@H]1CNC(=O)c1csc(C)c1C ZINC001038287098 775245375 /nfs/dbraw/zinc/24/53/75/775245375.db2.gz NSEDYIGKFKMEPP-CYBMUJFWSA-N 0 1 278.421 2.745 20 30 CFEDMN CC(C)(C)c1n[nH]c(SCc2cncc(C#N)c2)n1 ZINC000721571780 775255046 /nfs/dbraw/zinc/25/50/46/775255046.db2.gz IWBMWWAQRRIDJX-UHFFFAOYSA-N 0 1 273.365 2.661 20 30 CFEDMN CC(C)(C)c1nc(SCc2cncc(C#N)c2)n[nH]1 ZINC000721571780 775255051 /nfs/dbraw/zinc/25/50/51/775255051.db2.gz IWBMWWAQRRIDJX-UHFFFAOYSA-N 0 1 273.365 2.661 20 30 CFEDMN N#Cc1ccccc1CN1CC[C@H](OCCC2CC2)C1 ZINC001224761337 775268426 /nfs/dbraw/zinc/26/84/26/775268426.db2.gz LQVKHOCSBJLADG-KRWDZBQOSA-N 0 1 270.376 2.949 20 30 CFEDMN C=CC(C)(C)CC(=O)N(C)CCNCc1cc(C)ns1 ZINC001267378707 775286182 /nfs/dbraw/zinc/28/61/82/775286182.db2.gz FCGUGAZBZJTCGB-UHFFFAOYSA-N 0 1 295.452 2.602 20 30 CFEDMN C=C(Cl)CNCCN(C)C(=O)c1c(C)oc(C)c1C ZINC001267399974 775312634 /nfs/dbraw/zinc/31/26/34/775312634.db2.gz WASAQTDUWUKMKN-UHFFFAOYSA-N 0 1 284.787 2.619 20 30 CFEDMN C=C(Cl)CNCCN(C)C(=O)CCc1ccccc1C ZINC001267433670 775324472 /nfs/dbraw/zinc/32/44/72/775324472.db2.gz WXLJKEXVKYBFIJ-UHFFFAOYSA-N 0 1 294.826 2.728 20 30 CFEDMN C=C(C)CN1C[C@@H]2CCN(C(=O)c3sccc3C)[C@@H]2C1 ZINC001075494465 775381359 /nfs/dbraw/zinc/38/13/59/775381359.db2.gz GRBNIZFDMVBGQU-UONOGXRCSA-N 0 1 290.432 2.779 20 30 CFEDMN CC#CCN[C@H](CNC(=O)C(CC)CC)c1ccccc1 ZINC001267516539 775408807 /nfs/dbraw/zinc/40/88/07/775408807.db2.gz FLDYXOPDUSCTMM-QGZVFWFLSA-N 0 1 286.419 2.893 20 30 CFEDMN CC#CCN1CC[C@@H](N(CCC)C(=O)CCC2CC2)C1 ZINC001267537101 775443448 /nfs/dbraw/zinc/44/34/48/775443448.db2.gz FHAHPQHUNQRLRT-MRXNPFEDSA-N 0 1 276.424 2.513 20 30 CFEDMN N#Cc1ccc(O[C@H]2CCC[N@@H+](Cc3ccccc3)C2)cn1 ZINC001225497403 775481929 /nfs/dbraw/zinc/48/19/29/775481929.db2.gz DYCQUXPDJGAOLD-SFHVURJKSA-N 0 1 293.370 2.997 20 30 CFEDMN C=C[C@@H](CCC)Oc1nc(C(F)(F)F)cc(=O)[nH]1 ZINC001225979635 775656858 /nfs/dbraw/zinc/65/68/58/775656858.db2.gz IJGPYDBXZNMMDW-ZETCQYMHSA-N 0 1 262.231 2.935 20 30 CFEDMN N#C[C@H](Oc1cccc2[nH]nnc21)c1ccccc1F ZINC001225991956 775659143 /nfs/dbraw/zinc/65/91/43/775659143.db2.gz KZIBJIYPWLKWKF-ZDUSSCGKSA-N 0 1 268.251 2.741 20 30 CFEDMN C=CCC[C@@H](C)N1CC(NC(=O)CC[C@H](C)CC)C1 ZINC001267662921 775761055 /nfs/dbraw/zinc/76/10/55/775761055.db2.gz DRMXGWIQCFONAU-ZIAGYGMSSA-N 0 1 266.429 2.968 20 30 CFEDMN C=CCN1CC(CNC(=O)C2(c3ccccc3C)CCC2)C1 ZINC001267697124 775787822 /nfs/dbraw/zinc/78/78/22/775787822.db2.gz DIEKVDAWOGSNRA-UHFFFAOYSA-N 0 1 298.430 2.651 20 30 CFEDMN C#C[C@@H](Oc1[nH]c(=O)nc2ccc(F)cc21)C(C)C ZINC001226407573 775809178 /nfs/dbraw/zinc/80/91/78/775809178.db2.gz UNALQOQUILOOFE-GFCCVEGCSA-N 0 1 260.268 2.511 20 30 CFEDMN C#CC[C@@H](CC)Oc1[nH]c(=O)nc2ccc(F)cc21 ZINC001226407898 775809295 /nfs/dbraw/zinc/80/92/95/775809295.db2.gz ANXJGCYYHMRJEA-SNVBAGLBSA-N 0 1 260.268 2.655 20 30 CFEDMN C=CC[C@@H](C)Oc1[nH]c(=O)nc2nc(Cl)ccc21 ZINC001226550859 775869927 /nfs/dbraw/zinc/86/99/27/775869927.db2.gz VKBUTQIHYJWIOO-SSDOTTSWSA-N 0 1 265.700 2.727 20 30 CFEDMN CC#CCN1CC[C@@H](NC(=O)C[C@@H](C)CCC=C(C)C)C1 ZINC001267749208 775875206 /nfs/dbraw/zinc/87/52/06/775875206.db2.gz ISZOHDSQINVDAQ-DLBZAZTESA-N 0 1 290.451 2.973 20 30 CFEDMN C#CCN1CC[C@H](N(CC)C(=O)CCC2CCCC2)C1 ZINC001267780798 775923742 /nfs/dbraw/zinc/92/37/42/775923742.db2.gz VMNQOCRLGOZVLU-INIZCTEOSA-N 0 1 276.424 2.513 20 30 CFEDMN C=CCC(CC=C)Oc1nc[nH]c(=O)c1Br ZINC001226719798 775938737 /nfs/dbraw/zinc/93/87/37/775938737.db2.gz USJWUSJAGYVZAW-UHFFFAOYSA-N 0 1 285.141 2.844 20 30 CFEDMN C=CCN1[C@@H]2CC[C@H]1[C@H](NC(=O)C1(F)CCCCC1)C2 ZINC001098154076 775925551 /nfs/dbraw/zinc/92/55/51/775925551.db2.gz RSCFQDAUCZELNX-MCIONIFRSA-N 0 1 280.387 2.566 20 30 CFEDMN C=CC[C@H](Oc1nc[nH]c(=O)c1Br)C(C)C ZINC001226722075 775938067 /nfs/dbraw/zinc/93/80/67/775938067.db2.gz NEJOYEUSVHMHFH-QMMMGPOBSA-N 0 1 287.157 2.924 20 30 CFEDMN C#C[C@@H](CCCC)Oc1nc(=O)[nH]c(C)c1Br ZINC001226786887 775965645 /nfs/dbraw/zinc/96/56/45/775965645.db2.gz GCCVUAPLHHFYJZ-VIFPVBQESA-N 0 1 299.168 2.824 20 30 CFEDMN C=CCOCC(COCC=C)Oc1ccc2nc[nH]c2c1 ZINC001226928640 776019254 /nfs/dbraw/zinc/01/92/54/776019254.db2.gz OLTPROFCHSPCDY-UHFFFAOYSA-N 0 1 288.347 2.716 20 30 CFEDMN CCC1=C(Oc2ccc3nc[nH]c3c2)C(=O)[C@@H](C)O1 ZINC001226929056 776021563 /nfs/dbraw/zinc/02/15/63/776021563.db2.gz XBGMFMHNXMXRER-MRVPVSSYSA-N 0 1 258.277 2.551 20 30 CFEDMN C#CCCCCC(=O)NC1CCN(C[C@@H](F)CC)CC1 ZINC001226951663 776033082 /nfs/dbraw/zinc/03/30/82/776033082.db2.gz GEXYWZMBDBUDJV-AWEZNQCLSA-N 0 1 282.403 2.509 20 30 CFEDMN C=CC[C@H](Oc1cc(=O)[nH]c(OC)n1)c1ccccc1 ZINC001227000544 776056310 /nfs/dbraw/zinc/05/63/10/776056310.db2.gz MRPCGCKEYQCKBC-LBPRGKRZSA-N 0 1 272.304 2.887 20 30 CFEDMN C=CCc1c([O-])ccc(C(C)=O)c1O[C@H](C)C[N+](C)(C)C ZINC001227120413 776107240 /nfs/dbraw/zinc/10/72/40/776107240.db2.gz KMTCEVHQAIOHLF-GFCCVEGCSA-O 0 1 292.399 2.797 20 30 CFEDMN N#Cc1ccc2nc(OC[C@H]3Cc4ccccc4O3)[nH]c2c1 ZINC001227216153 776142053 /nfs/dbraw/zinc/14/20/53/776142053.db2.gz OZZHEUKHOGWLNH-CYBMUJFWSA-N 0 1 291.310 2.817 20 30 CFEDMN N#Cc1ccc2nc(O[C@@H]3CC(F)(F)C3(F)F)[nH]c2c1 ZINC001227218885 776142711 /nfs/dbraw/zinc/14/27/11/776142711.db2.gz IMVKBGADFRAYEX-SECBINFHSA-N 0 1 285.200 2.856 20 30 CFEDMN CCOC(=O)[C@H]1CC[C@@H](Oc2nc3ccc(C#N)cc3[nH]2)C1 ZINC001227219509 776142739 /nfs/dbraw/zinc/14/27/39/776142739.db2.gz LURIZVYPPSNACS-NWDGAFQWSA-N 0 1 299.330 2.545 20 30 CFEDMN CC1(C)C(=O)CCC[C@@H]1Oc1nc2ccc(C#N)cc2[nH]1 ZINC001227221338 776144265 /nfs/dbraw/zinc/14/42/65/776144265.db2.gz YOGGEAWQMHCVGH-AWEZNQCLSA-N 0 1 283.331 2.961 20 30 CFEDMN C=C1O[C@@H](C)C(=O)C1Oc1cnc(Cl)c(Cl)c1 ZINC001227226872 776145405 /nfs/dbraw/zinc/14/54/05/776145405.db2.gz ZQXGDMGPLDLAHO-YFKPBYRVSA-N 0 1 274.103 2.987 20 30 CFEDMN N#Cc1ccc(O)c(O[C@@H]2CC[N@@H+](Cc3ccccc3)C2)c1 ZINC001227344815 776180326 /nfs/dbraw/zinc/18/03/26/776180326.db2.gz DLGLFQVHSXGQRZ-MRXNPFEDSA-N 0 1 294.354 2.917 20 30 CFEDMN C#C[C@H]1CCC[C@@H]1Oc1[nH]c(=O)nc2ccc(C)cc21 ZINC001227347594 776181225 /nfs/dbraw/zinc/18/12/25/776181225.db2.gz RBLWMGIJGOWCGV-FZMZJTMJSA-N 0 1 268.316 2.825 20 30 CFEDMN CC#C[C@H](CC)Oc1[nH]c(=O)nc2ccc(C)cc21 ZINC001227346554 776181356 /nfs/dbraw/zinc/18/13/56/776181356.db2.gz JYOKFGFSBDIXLD-NSHDSACASA-N 0 1 256.305 2.825 20 30 CFEDMN C#C[C@@H](Oc1ncnc2nc[nH]c21)[C@H](CC)CCCC ZINC001227532609 776221551 /nfs/dbraw/zinc/22/15/51/776221551.db2.gz ZESIQMIUFKSDFI-VXGBXAGGSA-N 0 1 272.352 2.950 20 30 CFEDMN C=CC(C)(C)CC(=O)NC1CCN(C/C=C/Cl)CC1 ZINC001227571172 776232277 /nfs/dbraw/zinc/23/22/77/776232277.db2.gz XIHXECTWRAJXIK-VMPITWQZSA-N 0 1 284.831 2.922 20 30 CFEDMN C=C[C@]1(C)CC[C@H](Oc2[nH]c(=S)nnc2C)C(C)(C)O1 ZINC001227602616 776239798 /nfs/dbraw/zinc/23/97/98/776239798.db2.gz UHZBVHIBFWCNSN-IINYFYTJSA-N 0 1 295.408 2.750 20 30 CFEDMN C=C1O[C@@H](CC)C(=O)C1Oc1cc(Cl)nnc1Cl ZINC001227650673 776249752 /nfs/dbraw/zinc/24/97/52/776249752.db2.gz SRWIVRFQUKCZJE-LURJTMIESA-N 0 1 289.118 2.772 20 30 CFEDMN C=C(C)[C@@H]1CC[C@@H](C)C[C@@H]1Oc1nc(=O)[nH]c2c1COC2 ZINC001227686687 776258059 /nfs/dbraw/zinc/25/80/59/776258059.db2.gz UWWPHURYZOJURZ-SUNKGSAMSA-N 0 1 290.363 2.972 20 30 CFEDMN C=CC[C@@H](CCC)Oc1nc(=O)[nH]c2c1CO[C@@H]2C ZINC001227713833 776267372 /nfs/dbraw/zinc/26/73/72/776267372.db2.gz QUKHKKJXAGWMBD-ZJUUUORDSA-N 0 1 264.325 2.897 20 30 CFEDMN C=CCC[C@@H](CC)Oc1nc(=O)[nH]c2c1CO[C@@H]2C ZINC001227715851 776268609 /nfs/dbraw/zinc/26/86/09/776268609.db2.gz HRCGTYXKPFOXQB-NXEZZACHSA-N 0 1 264.325 2.897 20 30 CFEDMN C=CC[C@H](Oc1nc(=O)[nH]c2c1CO[C@@H]2C)C(C)C ZINC001227715748 776268744 /nfs/dbraw/zinc/26/87/44/776268744.db2.gz FWWPBAOJYZTSAD-KOLCDFICSA-N 0 1 264.325 2.753 20 30 CFEDMN C[C@@H](CC(C)(C)S)Oc1nc(=O)[nH]c2c1CO[C@@H]2C ZINC001227715729 776268864 /nfs/dbraw/zinc/26/88/64/776268864.db2.gz FSFWZTGOVDVVDC-JGVFFNPUSA-N 0 1 284.381 2.639 20 30 CFEDMN CC[C@H](C#Cc1ccccc1)Oc1[nH]c(=O)nc2cc[nH]c21 ZINC001227809288 776297611 /nfs/dbraw/zinc/29/76/11/776297611.db2.gz OBRMORIOEITUSQ-CYBMUJFWSA-N 0 1 293.326 2.873 20 30 CFEDMN C=CCN1CC[C@H](c2ccccc2)[C@H](NC(=O)C2CC2)C1 ZINC001087419160 776306599 /nfs/dbraw/zinc/30/65/99/776306599.db2.gz QQWHJEWCDHZBDW-IAGOWNOFSA-N 0 1 284.403 2.557 20 30 CFEDMN C=C1O[C@H](CC)C(=O)C1OCc1ccc([N+](=O)[O-])cc1 ZINC001222790883 776306780 /nfs/dbraw/zinc/30/67/80/776306780.db2.gz DFKYMPIWPYFVJD-GFCCVEGCSA-N 0 1 277.276 2.721 20 30 CFEDMN C=C1O[C@@H](C)C(=O)C1Oc1ccc(C(=O)OCCC)cc1 ZINC001228002418 776355836 /nfs/dbraw/zinc/35/58/36/776355836.db2.gz DFUUXXXOMYQLMG-JTQLQIEISA-N 0 1 290.315 2.852 20 30 CFEDMN CC(C)[NH+]1CCC(Oc2cc([O-])ccc2C#N)CC1 ZINC001228006614 776360213 /nfs/dbraw/zinc/36/02/13/776360213.db2.gz GDLBINGAPMAPOX-UHFFFAOYSA-N 0 1 260.337 2.515 20 30 CFEDMN C=C1O[C@H](C)C(=O)C1Oc1ccc(O)cc1Br ZINC001228201050 776421021 /nfs/dbraw/zinc/42/10/21/776421021.db2.gz FVSMBEHAYSFSST-ZCFIWIBFSA-N 0 1 299.120 2.753 20 30 CFEDMN C=C(C)CN1CCC[C@@H]1CNC(=O)c1ccc(C)s1 ZINC001027725272 776429616 /nfs/dbraw/zinc/42/96/16/776429616.db2.gz DSRPCSGTHIBMPK-CYBMUJFWSA-N 0 1 278.421 2.827 20 30 CFEDMN C[C@H](Oc1[nH]c(=O)ncc1Cl)c1ccccc1C#N ZINC001228482050 776503472 /nfs/dbraw/zinc/50/34/72/776503472.db2.gz IZRFUXLUNFQEPV-QMMMGPOBSA-N 0 1 275.695 2.847 20 30 CFEDMN C=C(C)C[N@H+]1CCC[C@H]1CNC(=O)c1nc(C)sc1C ZINC001027962137 776530107 /nfs/dbraw/zinc/53/01/07/776530107.db2.gz MHPCJYTYQFKDOJ-ZDUSSCGKSA-N 0 1 293.436 2.530 20 30 CFEDMN C=C(C)C(C)(C)C(=O)NC1CCN(C/C=C/Cl)CC1 ZINC001228596620 776534688 /nfs/dbraw/zinc/53/46/88/776534688.db2.gz KECWJLYBKUYIPL-VMPITWQZSA-N 0 1 284.831 2.922 20 30 CFEDMN C=CC(C)(C)C(=O)NC1CCN(C/C=C/Cl)CC1 ZINC001228631633 776546474 /nfs/dbraw/zinc/54/64/74/776546474.db2.gz RINGQWDBTMXEKV-VMPITWQZSA-N 0 1 270.804 2.532 20 30 CFEDMN CC#CCN1CCC[C@@H]1CNC(=O)c1cc(C)sc1C ZINC001028009496 776553478 /nfs/dbraw/zinc/55/34/78/776553478.db2.gz MGLIQYMKPRJYNC-CQSZACIVSA-N 0 1 290.432 2.582 20 30 CFEDMN C=CCN1CCC[C@H]1CNC(=O)c1cc(F)ccc1C ZINC001028052664 776574088 /nfs/dbraw/zinc/57/40/88/776574088.db2.gz BPGDFIFXPBINTJ-AWEZNQCLSA-N 0 1 276.355 2.514 20 30 CFEDMN CC#CCN1CCC(NC(=O)C2(CCC)CCC2)CC1 ZINC001228761054 776601693 /nfs/dbraw/zinc/60/16/93/776601693.db2.gz SIXUYJZIMLNAOG-UHFFFAOYSA-N 0 1 276.424 2.561 20 30 CFEDMN C=C[C@H](CC)CC(=O)NC1CCN(C/C=C\Cl)CC1 ZINC001228795317 776616687 /nfs/dbraw/zinc/61/66/87/776616687.db2.gz WCFWVGWPERQKRP-DMTLFAOVSA-N 0 1 284.831 2.922 20 30 CFEDMN C=CCN1CCC[C@H]1CNC(=O)c1cccc(F)c1Cl ZINC001028165321 776674154 /nfs/dbraw/zinc/67/41/54/776674154.db2.gz UHTTTWRXXKQYKZ-NSHDSACASA-N 0 1 296.773 2.859 20 30 CFEDMN C=C1O[C@@H](CC)C(=O)C1Oc1nnc(Cl)cc1Cl ZINC001228979586 776675577 /nfs/dbraw/zinc/67/55/77/776675577.db2.gz WDJSQMIJZUPQCN-ZETCQYMHSA-N 0 1 289.118 2.772 20 30 CFEDMN C#CCCN1CCC[C@H]1CNC(=O)c1cc(Cl)cs1 ZINC001028177762 776680410 /nfs/dbraw/zinc/68/04/10/776680410.db2.gz IRSJLZPYRKUIFW-LBPRGKRZSA-N 0 1 296.823 2.619 20 30 CFEDMN C[C@H](C#C[Si](C)(C)C)Oc1nnc2c[nH]ccc1-2 ZINC001228990928 776681550 /nfs/dbraw/zinc/68/15/50/776681550.db2.gz UWZCRLPSPZCXME-SNVBAGLBSA-N 0 1 259.385 2.606 20 30 CFEDMN C=C(C)CN1CCC[C@H]1CNC(=O)c1cc(C(C)C)no1 ZINC001028180103 776682844 /nfs/dbraw/zinc/68/28/44/776682844.db2.gz WCEFAXDGMTYNIZ-ZDUSSCGKSA-N 0 1 291.395 2.568 20 30 CFEDMN C=C[C@](C)(CC)C(=O)NC1CCN(C[C@H](F)CC)CC1 ZINC001229048943 776701410 /nfs/dbraw/zinc/70/14/10/776701410.db2.gz QKOPNYHQPRDDMX-CZUORRHYSA-N 0 1 284.419 2.917 20 30 CFEDMN C=C1O[C@@H](CC)C(=O)C1Oc1ccnc(OC(F)F)c1 ZINC001229091344 776714779 /nfs/dbraw/zinc/71/47/79/776714779.db2.gz ZQBASJQNYMQRTN-VIFPVBQESA-N 0 1 285.246 2.671 20 30 CFEDMN C=C[C@H](CC)Oc1[nH]c(=O)nc2cc(OC)ccc21 ZINC001229137173 776730212 /nfs/dbraw/zinc/73/02/12/776730212.db2.gz HICLTPBMWULVSV-SECBINFHSA-N 0 1 260.293 2.687 20 30 CFEDMN C#C[C@H]1CCC[C@H]1Oc1[nH]c(=O)nc2cc(OC)ccc21 ZINC001229137891 776730976 /nfs/dbraw/zinc/73/09/76/776730976.db2.gz PDVIYHSRZUEVPY-IINYFYTJSA-N 0 1 284.315 2.525 20 30 CFEDMN C=CCC[C@H](C)N1CC(NC(=O)C[C@H]2C=CCCC2)C1 ZINC001268327612 776748653 /nfs/dbraw/zinc/74/86/53/776748653.db2.gz LVCRQBISBLRFEK-GJZGRUSLSA-N 0 1 276.424 2.888 20 30 CFEDMN C=C(C)CN1CCC[C@H]1CNC(=O)c1sccc1OC ZINC001028275467 776786121 /nfs/dbraw/zinc/78/61/21/776786121.db2.gz ZTDMVUAUFHQJLT-LBPRGKRZSA-N 0 1 294.420 2.527 20 30 CFEDMN CC#CCN1CCC(NC(=O)[C@@H](CCC)C(C)C)CC1 ZINC001229408976 776804762 /nfs/dbraw/zinc/80/47/62/776804762.db2.gz BZICCUVBJJGPMI-INIZCTEOSA-N 0 1 278.440 2.663 20 30 CFEDMN C=C[C@@H](Oc1nc(C)nc2[nH]cnc21)c1ccccc1 ZINC001229438495 776811036 /nfs/dbraw/zinc/81/10/36/776811036.db2.gz NKXCUUOMPVNSBK-GFCCVEGCSA-N 0 1 266.304 2.967 20 30 CFEDMN C=C[C@@H](C#CC(C)(C)C)Oc1nc(C)nc2[nH]cnc21 ZINC001229438314 776811170 /nfs/dbraw/zinc/81/11/70/776811170.db2.gz HVAXKCPZCOLHOR-NSHDSACASA-N 0 1 270.336 2.644 20 30 CFEDMN C=CCN1CC[C@H](c2cccc(F)c2)[C@H](NC(=O)CC)C1 ZINC001087450770 776842050 /nfs/dbraw/zinc/84/20/50/776842050.db2.gz SPXCXTCIFAPOLC-HZPDHXFCSA-N 0 1 290.382 2.696 20 30 CFEDMN C#CCCN1CCC[C@@H]1CNC(=O)c1ccc(Cl)s1 ZINC001028301030 776845606 /nfs/dbraw/zinc/84/56/06/776845606.db2.gz MOPBQVXFGOBOPK-LLVKDONJSA-N 0 1 296.823 2.619 20 30 CFEDMN CC#CCN1CCC[C@H]1CNC(=O)c1c(C)cc(C)cc1C ZINC001028301103 776846222 /nfs/dbraw/zinc/84/62/22/776846222.db2.gz AGQXURYVCKEHJW-KRWDZBQOSA-N 0 1 298.430 2.829 20 30 CFEDMN N#Cc1ccnnc1O[C@@H](C(=O)c1ccco1)c1ccco1 ZINC001229604078 776855267 /nfs/dbraw/zinc/85/52/67/776855267.db2.gz KGDAUCANGXMSPE-CQSZACIVSA-N 0 1 295.254 2.537 20 30 CFEDMN N#Cc1ccnnc1OC(C(=O)c1ccco1)c1ccco1 ZINC001229604078 776855275 /nfs/dbraw/zinc/85/52/75/776855275.db2.gz KGDAUCANGXMSPE-CQSZACIVSA-N 0 1 295.254 2.537 20 30 CFEDMN C=CC[N@H+]1CCC[C@@H]1CNC(=O)[C@@H]1CC2CCC1CC2 ZINC001028334528 776860415 /nfs/dbraw/zinc/86/04/15/776860415.db2.gz CFGFABSJEMPZJI-QDIHITRGSA-N 0 1 276.424 2.579 20 30 CFEDMN C#CCN1CCC[C@H]1CNC(=O)c1ccccc1CC(C)C ZINC001028338251 776861534 /nfs/dbraw/zinc/86/15/34/776861534.db2.gz WYRADPXURVSCHT-KRWDZBQOSA-N 0 1 298.430 2.713 20 30 CFEDMN C=CCCCNC(=S)N1CC2(CCN2C2CCCC2)C1 ZINC001277406299 776865235 /nfs/dbraw/zinc/86/52/35/776865235.db2.gz KDPRHNRRSXVDJF-UHFFFAOYSA-N 0 1 293.480 2.530 20 30 CFEDMN C=CCC(C)(C)C(=O)N(CC)CCNCc1conc1C ZINC001268483620 776878555 /nfs/dbraw/zinc/87/85/55/776878555.db2.gz ILMMXNFWXATETK-UHFFFAOYSA-N 0 1 293.411 2.523 20 30 CFEDMN C#C[C@@H]1CCC[C@H]1Oc1nc2ccc(OC)cc2[nH]1 ZINC001229728814 776880916 /nfs/dbraw/zinc/88/09/16/776880916.db2.gz DKFJNRHMDIVNBO-QMTHXVAHSA-N 0 1 256.305 2.752 20 30 CFEDMN CC#CCN1CCC(NC(=O)C2(CC)CCCC2)CC1 ZINC001229864280 776907411 /nfs/dbraw/zinc/90/74/11/776907411.db2.gz ACNJJEQJSXEQKN-UHFFFAOYSA-N 0 1 276.424 2.561 20 30 CFEDMN C#C[C@@H](CCCCC)Oc1nc[nH]c(=O)c1Cl ZINC001230015004 776940304 /nfs/dbraw/zinc/94/03/04/776940304.db2.gz RWXDTIIFYMHHAG-VIFPVBQESA-N 0 1 254.717 2.797 20 30 CFEDMN C=C1O[C@H](C)C(=O)C1Oc1cc(C(=O)OC)c(F)cc1C ZINC001230037227 776947227 /nfs/dbraw/zinc/94/72/27/776947227.db2.gz QPUWRYURTAAZAH-MRVPVSSYSA-N 0 1 294.278 2.519 20 30 CFEDMN C=C1O[C@H](C)C(=O)C1Oc1cc(F)c(C(C)=O)cc1OC ZINC001230269220 776968218 /nfs/dbraw/zinc/96/82/18/776968218.db2.gz YFYQWZOKHCOFKO-MRVPVSSYSA-N 0 1 294.278 2.635 20 30 CFEDMN C=C(Cl)CNC[C@H](C)NC(=O)CCCC(C)C ZINC001268705496 777026033 /nfs/dbraw/zinc/02/60/33/777026033.db2.gz OKMREMFESJUBBK-LBPRGKRZSA-N 0 1 260.809 2.660 20 30 CFEDMN C=C(Cl)CNC/C=C/CNC(=O)CCc1cccs1 ZINC001268623849 777000801 /nfs/dbraw/zinc/00/08/01/777000801.db2.gz SFLNOVSUMLLANK-NSCUHMNNSA-N 0 1 298.839 2.695 20 30 CFEDMN C#C[C@@H]1CCC[C@H]1Oc1cc2[nH]ncc2cc1[N+](=O)[O-] ZINC001230600144 777023954 /nfs/dbraw/zinc/02/39/54/777023954.db2.gz CGENNKOJTAYRNS-NOZJJQNGSA-N 0 1 271.276 2.652 20 30 CFEDMN C=C(Cl)CNC[C@H](C)NC(=O)[C@]1(C)CC=C(C)CC1 ZINC001268717086 777030557 /nfs/dbraw/zinc/03/05/57/777030557.db2.gz QRTJAUMZPOUHET-DZGCQCFKSA-N 0 1 284.831 2.970 20 30 CFEDMN C=CCCC(=O)N[C@@H](C)CN(C)Cc1cc(F)cc(F)c1 ZINC001268725286 777034823 /nfs/dbraw/zinc/03/48/23/777034823.db2.gz SKAVWKWVQUSVJL-LBPRGKRZSA-N 0 1 296.361 2.868 20 30 CFEDMN C=CCCC[N@@H+]1CC[C@H]1CN(C)C(=O)c1ccsc1 ZINC001230696495 777044739 /nfs/dbraw/zinc/04/47/39/777044739.db2.gz BPRUQFICSMLQKD-AWEZNQCLSA-N 0 1 278.421 2.861 20 30 CFEDMN C=CC[N@H+](C)C[C@@H](C)NC(=O)C(C)(C)c1ccccc1 ZINC001268755889 777046545 /nfs/dbraw/zinc/04/65/45/777046545.db2.gz FDJPDDNWVSLDGY-CQSZACIVSA-N 0 1 274.408 2.587 20 30 CFEDMN C#CCN(C)C[C@H](C)NC(=O)c1c(CC)oc2ccccc21 ZINC001268760258 777048514 /nfs/dbraw/zinc/04/85/14/777048514.db2.gz UCGBYRKTRCPOHT-ZDUSSCGKSA-N 0 1 298.386 2.679 20 30 CFEDMN C=C1O[C@@H](CC)C(=O)C1Oc1ccc(Cl)nc1 ZINC001225596919 777068441 /nfs/dbraw/zinc/06/84/41/777068441.db2.gz FLGRWEHXPBBQCE-VIFPVBQESA-N 0 1 253.685 2.723 20 30 CFEDMN C=CC[C@@H](C(=O)NCC1CN(CC=C)C1)c1ccccc1 ZINC001268910708 777072295 /nfs/dbraw/zinc/07/22/95/777072295.db2.gz BXHORRRBURLBKB-QGZVFWFLSA-N 0 1 284.403 2.580 20 30 CFEDMN C=CCN1CC(CNC(=O)[C@@H](CC)c2ccc(F)cc2)C1 ZINC001268917109 777074889 /nfs/dbraw/zinc/07/48/89/777074889.db2.gz KWBBJHFFELQIJY-INIZCTEOSA-N 0 1 290.382 2.553 20 30 CFEDMN C#C[C@H](CCC)Oc1[nH]c(=O)nc2ccc(OC)cc21 ZINC001230861469 777076508 /nfs/dbraw/zinc/07/65/08/777076508.db2.gz BCGQACRFICEMPP-SNVBAGLBSA-N 0 1 272.304 2.525 20 30 CFEDMN C=CC1(CC(=O)N2C[C@@H]3C[C@H]2CN3CC)CCCCC1 ZINC001268974551 777081565 /nfs/dbraw/zinc/08/15/65/777081565.db2.gz VZWRDFVPXVHOGM-GJZGRUSLSA-N 0 1 276.424 2.818 20 30 CFEDMN C#C[C@H](Oc1[nH]c(=O)nc2cc(F)ccc21)C(C)C ZINC001230883776 777082291 /nfs/dbraw/zinc/08/22/91/777082291.db2.gz MKHPNXZQZCTCCB-LBPRGKRZSA-N 0 1 260.268 2.511 20 30 CFEDMN C=C[C@@]1(C)CC[C@H](Oc2nncc3n[nH]cc32)C(C)(C)O1 ZINC001230901774 777087635 /nfs/dbraw/zinc/08/76/35/777087635.db2.gz UETAMWMMMSBYMP-WFASDCNBSA-N 0 1 288.351 2.634 20 30 CFEDMN C#CC[N@@H+]1CCC[C@]2(CCN(C(=O)CCCCCC)C2)C1 ZINC001277473230 777098915 /nfs/dbraw/zinc/09/89/15/777098915.db2.gz BFJHETYTYBUCBG-SFHVURJKSA-N 0 1 290.451 2.905 20 30 CFEDMN C#C[C@H](C)Oc1nc2cc(Cl)nc(Cl)c2[nH]1 ZINC001231045242 777120846 /nfs/dbraw/zinc/12/08/46/777120846.db2.gz UGDNFQNKXWKSAS-YFKPBYRVSA-N 0 1 256.092 2.665 20 30 CFEDMN C/C=C(\C)C(=O)N(C)[C@@H]1CCN(Cc2ccc(C#N)cc2)C1 ZINC001269227918 777145981 /nfs/dbraw/zinc/14/59/81/777145981.db2.gz UYUWAKGKHRRLJC-XIYYVKAQSA-N 0 1 297.402 2.557 20 30 CFEDMN C=C(C)CN1CC[C@@H]1CNC(=O)C(CCC)CCC ZINC001269279248 777157159 /nfs/dbraw/zinc/15/71/59/777157159.db2.gz XQBMUOBEQKJHNB-OAHLLOKOSA-N 0 1 266.429 2.969 20 30 CFEDMN CC#CCN1CC[C@H](N(CC)C(=O)CC2(C)CCCC2)C1 ZINC001269323806 777169426 /nfs/dbraw/zinc/16/94/26/777169426.db2.gz BJZUNEMPWZAOIJ-INIZCTEOSA-N 0 1 290.451 2.903 20 30 CFEDMN C=CCN1CC[C@@H]1CN(C)C(=O)CC1=CCCCC1 ZINC001231199365 777169939 /nfs/dbraw/zinc/16/99/39/777169939.db2.gz XHZNWHOQOKZJEY-OAHLLOKOSA-N 0 1 262.397 2.596 20 30 CFEDMN CC#CCN1CC[C@H](N(CC)C(=O)C[C@H]2CC=CCC2)C1 ZINC001269339294 777174517 /nfs/dbraw/zinc/17/45/17/777174517.db2.gz LCXJDKSTXONPLE-IRXDYDNUSA-N 0 1 288.435 2.679 20 30 CFEDMN C=CCCCN1CC(N(C)C(=O)CC2=CCCCC2)C1 ZINC001269764115 777245589 /nfs/dbraw/zinc/24/55/89/777245589.db2.gz MSBZYMCEYWEXLL-UHFFFAOYSA-N 0 1 276.424 2.986 20 30 CFEDMN C=C(C)CCN1CC(N(C)C(=O)C2(CC)CCC2)C1 ZINC001269837816 777256040 /nfs/dbraw/zinc/25/60/40/777256040.db2.gz CSOUTTJIGPUXQT-UHFFFAOYSA-N 0 1 264.413 2.676 20 30 CFEDMN C=CCCCN1CC(N(C)C(=O)[C@H]2C[C@]2(C)C(C)C)C1 ZINC001269867211 777262270 /nfs/dbraw/zinc/26/22/70/777262270.db2.gz USQUISISPHGLNH-NVXWUHKLSA-N 0 1 278.440 2.777 20 30 CFEDMN C#Cc1cccc(CN2CCCC[C@H]2C(=O)N2CCCC2)c1 ZINC001231659898 777298009 /nfs/dbraw/zinc/29/80/09/777298009.db2.gz WPLLEAFERXXHFK-SFHVURJKSA-N 0 1 296.414 2.645 20 30 CFEDMN C#Cc1cccc(CN2CCCN(C(=O)CC(C)C)CC2)c1 ZINC001231660242 777298181 /nfs/dbraw/zinc/29/81/81/777298181.db2.gz ACZUMORKUNFKIW-UHFFFAOYSA-N 0 1 298.430 2.748 20 30 CFEDMN COc1cccc2c(CN3CCC(C#N)CC3)c[nH]c21 ZINC001231894972 777371581 /nfs/dbraw/zinc/37/15/81/777371581.db2.gz DGDIRZSGGZTMJK-UHFFFAOYSA-N 0 1 269.348 2.912 20 30 CFEDMN C#CCN1CCN(Cc2ccc(C(F)(F)F)cc2C)CC1 ZINC001232006552 777410294 /nfs/dbraw/zinc/41/02/94/777410294.db2.gz HFOVAVUFJPLTGM-UHFFFAOYSA-N 0 1 296.336 2.765 20 30 CFEDMN C=CC(C)(C)CC(=O)N(C)C1CN(CC2CCC2)C1 ZINC001277603437 777421727 /nfs/dbraw/zinc/42/17/27/777421727.db2.gz WCMOWQUMGRVCQE-UHFFFAOYSA-N 0 1 264.413 2.531 20 30 CFEDMN C=CCCN1CC(N(C)C(=O)C/C=C/Cc2ccccc2)C1 ZINC001277611110 777438133 /nfs/dbraw/zinc/43/81/33/777438133.db2.gz SGNOWFXCDXOYCP-CMDGGOBGSA-N 0 1 298.430 2.894 20 30 CFEDMN N#Cc1ccc(CN2CCCC[C@H]2CO)cc1Cl ZINC001232110674 777443213 /nfs/dbraw/zinc/44/32/13/777443213.db2.gz RIQMRJRKYWAPHH-ZDUSSCGKSA-N 0 1 264.756 2.558 20 30 CFEDMN N#Cc1ccc(CN2CC[C@@]3(CCOC3)C2)cc1Cl ZINC001232112444 777444429 /nfs/dbraw/zinc/44/44/29/777444429.db2.gz WLAIEXWVBIGVHY-OAHLLOKOSA-N 0 1 276.767 2.824 20 30 CFEDMN N#Cc1ccc(CN2CCC[C@@H](CCO)C2)cc1Cl ZINC001232115476 777445484 /nfs/dbraw/zinc/44/54/84/777445484.db2.gz QMFAOSVKYGYRPA-LBPRGKRZSA-N 0 1 278.783 2.806 20 30 CFEDMN C=CCN1CC2(C1)CCN(C(=O)[C@@H](C)CCC)CC2 ZINC001270837765 777511650 /nfs/dbraw/zinc/51/16/50/777511650.db2.gz MWEINXKBHDSSTG-AWEZNQCLSA-N 0 1 264.413 2.533 20 30 CFEDMN COc1ccc(C[N@@H+](C)Cc2cccc(C#N)c2)c(C)n1 ZINC001232337580 777526598 /nfs/dbraw/zinc/52/65/98/777526598.db2.gz MJMLCEWIAYUGAL-UHFFFAOYSA-N 0 1 281.359 2.902 20 30 CFEDMN COc1ccc(CN(C)Cc2cccc(C#N)c2)c(C)n1 ZINC001232337580 777526605 /nfs/dbraw/zinc/52/66/05/777526605.db2.gz MJMLCEWIAYUGAL-UHFFFAOYSA-N 0 1 281.359 2.902 20 30 CFEDMN C#CCN1CCC[C@](C)(CNC(=O)[C@@]2(C)CC=CCC2)C1 ZINC001270965902 777616508 /nfs/dbraw/zinc/61/65/08/777616508.db2.gz RESXUOUYRXNKQL-MSOLQXFVSA-N 0 1 288.435 2.584 20 30 CFEDMN N#C[C@H]1CN(Cc2ccc3ccsc3c2)CCC1=O ZINC001232613581 777616944 /nfs/dbraw/zinc/61/69/44/777616944.db2.gz XNTPVKYDVOJXCK-ZDUSSCGKSA-N 0 1 270.357 2.816 20 30 CFEDMN Cc1cnc2c(c1)C[N@H+](Cc1cc(C#N)ccc1[O-])CC2 ZINC001232677772 777638088 /nfs/dbraw/zinc/63/80/88/777638088.db2.gz JMSGAGHLFJPLRL-UHFFFAOYSA-N 0 1 279.343 2.526 20 30 CFEDMN C[N@@H+](CCc1cccs1)Cc1cc(C#N)ccc1[O-] ZINC001232680206 777640296 /nfs/dbraw/zinc/64/02/96/777640296.db2.gz YUWSTENYTWDWPD-UHFFFAOYSA-N 0 1 272.373 3.000 20 30 CFEDMN CC[C@@H](C)CN1CC(N(C)C(=O)CC#Cc2ccccc2)C1 ZINC001277699852 777640331 /nfs/dbraw/zinc/64/03/31/777640331.db2.gz STPQSPVTXGNSIQ-MRXNPFEDSA-N 0 1 298.430 2.617 20 30 CFEDMN Cc1nc([C@H]2CCCCN2Cc2cc(C#N)ccc2O)no1 ZINC001232679244 777640690 /nfs/dbraw/zinc/64/06/90/777640690.db2.gz HOXIDRIILXKULR-CQSZACIVSA-N 0 1 298.346 2.683 20 30 CFEDMN N#Cc1ccc(O)c(CN2CC(Oc3ccccc3F)C2)c1 ZINC001232678985 777640928 /nfs/dbraw/zinc/64/09/28/777640928.db2.gz XDTMCPHKLXGVJD-UHFFFAOYSA-N 0 1 298.317 2.666 20 30 CFEDMN C=CCN1CC[C@H](NC(=O)c2ccoc2Cl)[C@H]1CC ZINC001087554985 777651507 /nfs/dbraw/zinc/65/15/07/777651507.db2.gz JJFUGIOQEUMOIC-NWDGAFQWSA-N 0 1 282.771 2.702 20 30 CFEDMN C#CCN1CC[C@H](NC(=O)[C@H]2CCC=CCCC2)[C@H]1CC ZINC001087621429 777668104 /nfs/dbraw/zinc/66/81/04/777668104.db2.gz UNSGKGAIJMQSEQ-YESZJQIVSA-N 0 1 288.435 2.725 20 30 CFEDMN COc1cc(O)cc(CN2CCC[C@H](C#N)CC2)c1 ZINC001232804862 777676082 /nfs/dbraw/zinc/67/60/82/777676082.db2.gz LYTCRTOQSXKLCY-LBPRGKRZSA-N 0 1 260.337 2.526 20 30 CFEDMN N#Cc1ccc(C[N@@H+]2CC[C@@H](O)[C@@H]2Cc2ccccc2)s1 ZINC001232842357 777690748 /nfs/dbraw/zinc/69/07/48/777690748.db2.gz AGQVBWDPFWFJKC-DLBZAZTESA-N 0 1 298.411 2.798 20 30 CFEDMN C=CC[N@@H+]1CC[C@H](NC(=O)c2ccc3cc[nH]c3c2)[C@H]1CC ZINC001087741196 777691091 /nfs/dbraw/zinc/69/10/91/777691091.db2.gz UUKWOHKIIOYBST-DOTOQJQBSA-N 0 1 297.402 2.937 20 30 CFEDMN C#CCN1CC[C@H](NC(=O)[C@@H](C)c2ccc(C)cc2)[C@H]1CC ZINC001087801995 777700679 /nfs/dbraw/zinc/70/06/79/777700679.db2.gz RRPCYZBZGINODZ-RYQLBKOJSA-N 0 1 298.430 2.701 20 30 CFEDMN Cc1ccc(CN2CC[C@H]3O[C@@H](C)C[C@H]3C2)c(C#N)c1 ZINC001232964401 777741012 /nfs/dbraw/zinc/74/10/12/777741012.db2.gz WSXNHVQWEBLCSE-RRQGHBQHSA-N 0 1 270.376 2.866 20 30 CFEDMN Cc1ccc(CN2CCCOC(C)(C)C2)c(C#N)c1 ZINC001232966957 777741243 /nfs/dbraw/zinc/74/12/43/777741243.db2.gz ZLKMRXYJTJETEL-UHFFFAOYSA-N 0 1 258.365 2.868 20 30 CFEDMN COC(=O)[C@H]1C[C@H]2C[C@@H](C1)N(Cc1ccc(C)cc1C#N)C2 ZINC001232967632 777742826 /nfs/dbraw/zinc/74/28/26/777742826.db2.gz SYQPUOKJGIFGJO-QRTARXTBSA-N 0 1 298.386 2.640 20 30 CFEDMN Cc1ccc(CN2CCC3(CCO3)CC2)c(C#N)c1 ZINC001232967537 777742910 /nfs/dbraw/zinc/74/29/10/777742910.db2.gz PKKXOHTWGBOTNK-UHFFFAOYSA-N 0 1 256.349 2.622 20 30 CFEDMN Cc1ccc(C[N@H+]2CCC[C@H]2C(C)(C)O)c(C#N)c1 ZINC001232967483 777743159 /nfs/dbraw/zinc/74/31/59/777743159.db2.gz NPRXBMCYDSPPOM-HNNXBMFYSA-N 0 1 258.365 2.602 20 30 CFEDMN CO[C@@H]1CCN(Cc2ccc(C)cc2C#N)[C@H](C)C1 ZINC001232969535 777744045 /nfs/dbraw/zinc/74/40/45/777744045.db2.gz SCQZDLSSJDZXID-CZUORRHYSA-N 0 1 258.365 2.866 20 30 CFEDMN Cc1nnc([C@H]2CCC[N@@H+](Cc3ccc(C)cc3C#N)C2)o1 ZINC001232968021 777744147 /nfs/dbraw/zinc/74/41/47/777744147.db2.gz APLOTIHFNXPABM-HNNXBMFYSA-N 0 1 296.374 2.938 20 30 CFEDMN Cc1nnc([C@H]2CCCN(Cc3ccc(C)cc3C#N)C2)o1 ZINC001232968021 777744156 /nfs/dbraw/zinc/74/41/56/777744156.db2.gz APLOTIHFNXPABM-HNNXBMFYSA-N 0 1 296.374 2.938 20 30 CFEDMN Cc1ccc(CN(C)[C@@H]2CCC3(C2)OCCO3)c(C#N)c1 ZINC001232969039 777744766 /nfs/dbraw/zinc/74/47/66/777744766.db2.gz WKWVBFZPXYHMGC-MRXNPFEDSA-N 0 1 286.375 2.594 20 30 CFEDMN Cc1ccc(CN2C[C@@H]3C(=O)CCC[C@@H]3C2)c(C#N)c1 ZINC001232969501 777744942 /nfs/dbraw/zinc/74/49/42/777744942.db2.gz QQDSWQNKFAQHFL-ZBFHGGJFSA-N 0 1 268.360 2.668 20 30 CFEDMN CO[C@@H]1CCN(Cc2ccc(C)cc2C#N)[C@@H](C)C1 ZINC001232969536 777745236 /nfs/dbraw/zinc/74/52/36/777745236.db2.gz SCQZDLSSJDZXID-XJKSGUPXSA-N 0 1 258.365 2.866 20 30 CFEDMN CCCNC(=O)[C@@H]1CCCCN1Cc1ccc(C#N)cc1C ZINC001233083066 777793525 /nfs/dbraw/zinc/79/35/25/777793525.db2.gz TUKNCPACXYADSZ-KRWDZBQOSA-N 0 1 299.418 2.747 20 30 CFEDMN N#C[C@H]1CCCN(Cc2[nH]nc3cc(F)ccc32)CC1 ZINC001233123626 777802112 /nfs/dbraw/zinc/80/21/12/777802112.db2.gz ZTWFWSXZYBPIAE-NSHDSACASA-N 0 1 272.327 2.828 20 30 CFEDMN C=CCN1C[C@@H]2CCN(C(=O)c3sc(C)cc3C)[C@@H]2C1 ZINC001075835244 777819165 /nfs/dbraw/zinc/81/91/65/777819165.db2.gz GSRILASREFXTMA-UONOGXRCSA-N 0 1 290.432 2.697 20 30 CFEDMN N#C[C@H]1CN(Cc2ccc(Cl)c(F)c2F)CCC1=O ZINC001233211355 777828096 /nfs/dbraw/zinc/82/80/96/777828096.db2.gz SXIUVZRMSMVOLK-VIFPVBQESA-N 0 1 284.693 2.533 20 30 CFEDMN O=C1C=C2C[N@@H+](Cc3ccc([S-])cc3)CC[C@@H]2S1 ZINC001233259563 777849656 /nfs/dbraw/zinc/84/96/56/777849656.db2.gz XKUJOOHPMPYNMS-ZDUSSCGKSA-N 0 1 277.414 2.749 20 30 CFEDMN O=C1C=C2C[N@H+](Cc3ccc([S-])cc3)CCC2S1 ZINC001233259563 777849665 /nfs/dbraw/zinc/84/96/65/777849665.db2.gz XKUJOOHPMPYNMS-ZDUSSCGKSA-N 0 1 277.414 2.749 20 30 CFEDMN O=C1C=C2C[N@@H+](Cc3ccc([S-])cc3)CCC2S1 ZINC001233259563 777849672 /nfs/dbraw/zinc/84/96/72/777849672.db2.gz XKUJOOHPMPYNMS-ZDUSSCGKSA-N 0 1 277.414 2.749 20 30 CFEDMN C=C(C)CN(CC)Cc1cc(C(=O)OCC)ccn1 ZINC001233326912 777889827 /nfs/dbraw/zinc/88/98/27/777889827.db2.gz XUTYVMKGHFJWNV-UHFFFAOYSA-N 0 1 262.353 2.656 20 30 CFEDMN N#Cc1ccc(C[N@H+]2CCC(=O)[C@H]3CCCC[C@H]32)c([O-])c1 ZINC001233383419 777926174 /nfs/dbraw/zinc/92/61/74/777926174.db2.gz HJKNPOJVLDXKIJ-LSDHHAIUSA-N 0 1 284.359 2.597 20 30 CFEDMN COC[C@@]12CCC[C@@H]1C[N@@H+](Cc1ccc(C#N)cc1[O-])C2 ZINC001233384983 777926559 /nfs/dbraw/zinc/92/65/59/777926559.db2.gz PSRBTTFJGVFIBB-WBVHZDCISA-N 0 1 286.375 2.512 20 30 CFEDMN C=C(C)CN1CC[C@@H]1CN(C)C(=O)CCC1CCC1 ZINC001233521280 777976728 /nfs/dbraw/zinc/97/67/28/777976728.db2.gz TYYSFFHJQAPXGV-OAHLLOKOSA-N 0 1 264.413 2.676 20 30 CFEDMN C[C@H]1CCCN(Cc2ccc(F)cc2C#N)[C@@H]1CCO ZINC000697208613 778150272 /nfs/dbraw/zinc/15/02/72/778150272.db2.gz QNOPJIUGGWVFDE-BLLLJJGKSA-N 0 1 276.355 2.680 20 30 CFEDMN CCC#C[C@H](C)Oc1nc2cccc(C(=O)OC)c2[n-]1 ZINC001234044495 778150991 /nfs/dbraw/zinc/15/09/91/778150991.db2.gz LTOOVQXBNMQHIH-JTQLQIEISA-N 0 1 272.304 2.530 20 30 CFEDMN CCC#C[C@H](C)Oc1nc2cccc(C(=O)OC)c2[nH]1 ZINC001234044495 778150993 /nfs/dbraw/zinc/15/09/93/778150993.db2.gz LTOOVQXBNMQHIH-JTQLQIEISA-N 0 1 272.304 2.530 20 30 CFEDMN C=CCN1CCC[C@H](N(Cc2ccccc2)C(C)=O)C1 ZINC001029919074 778151601 /nfs/dbraw/zinc/15/16/01/778151601.db2.gz OGUFOEOLLLZERS-KRWDZBQOSA-N 0 1 272.392 2.686 20 30 CFEDMN C=C1O[C@H](CC)C(=O)C1Oc1cc(F)c(F)cc1OC ZINC001234236034 778191286 /nfs/dbraw/zinc/19/12/86/778191286.db2.gz HZZPKQHTEUOXJG-SNVBAGLBSA-N 0 1 284.258 2.962 20 30 CFEDMN C=CCCC[N@@H+]1CC[C@@H]1CN(C)C(=O)[C@@H](OCC)C(C)C ZINC001234255465 778194349 /nfs/dbraw/zinc/19/43/49/778194349.db2.gz NRHHQIRRWUGGMM-CVEARBPZSA-N 0 1 296.455 2.546 20 30 CFEDMN C=C1O[C@@H](C)C(=O)C1Oc1cc(F)c(OC)cc1F ZINC001234270476 778197532 /nfs/dbraw/zinc/19/75/32/778197532.db2.gz HNGUKVSJMJIQNY-LURJTMIESA-N 0 1 270.231 2.572 20 30 CFEDMN C=CCC(CC=C)C(=O)N(C)C[C@@H]1CCN1CC(=C)C ZINC001234509709 778239736 /nfs/dbraw/zinc/23/97/36/778239736.db2.gz OUPIQMZUYHIRCS-INIZCTEOSA-N 0 1 276.424 2.864 20 30 CFEDMN CCC[C@@H](C)Oc1[nH]c(=O)nc2cccc(C#N)c21 ZINC001234511402 778240914 /nfs/dbraw/zinc/24/09/14/778240914.db2.gz PDTWWMKZKVMJGR-SECBINFHSA-N 0 1 257.293 2.774 20 30 CFEDMN C#CCN(CC#C)Cc1c(O)ccc2ccc(OC)cc21 ZINC001234569693 778255456 /nfs/dbraw/zinc/25/54/56/778255456.db2.gz QVSHTEMTPQTFTK-UHFFFAOYSA-N 0 1 279.339 2.622 20 30 CFEDMN C=CCN1CC[C@H](NC(=O)c2cccc(C)c2F)[C@H]1C ZINC001088584909 778304811 /nfs/dbraw/zinc/30/48/11/778304811.db2.gz UDVFERVZSHNXEW-OCCSQVGLSA-N 0 1 276.355 2.513 20 30 CFEDMN C=C(C)CN1CC[C@@H]1CNC(=O)c1c(C)[nH]c2ccccc21 ZINC001038478876 778362834 /nfs/dbraw/zinc/36/28/34/778362834.db2.gz XDCXAOXIQUVWCP-CQSZACIVSA-N 0 1 297.402 2.857 20 30 CFEDMN C#CC[N@H+](C)CCCN(C)C(=O)c1ccc2c(c1)CCCC2 ZINC001280881837 778367523 /nfs/dbraw/zinc/36/75/23/778367523.db2.gz XXVXJMLCOGDFSV-UHFFFAOYSA-N 0 1 298.430 2.593 20 30 CFEDMN CC#CCN(C)CCN(C)C(=O)c1ccc(C)c2c1CCC2 ZINC001272179116 778368314 /nfs/dbraw/zinc/36/83/14/778368314.db2.gz XPJVRZDWLGGPNZ-UHFFFAOYSA-N 0 1 298.430 2.511 20 30 CFEDMN C=CCN1CC[C@H](NC(=O)c2oc(C(F)F)cc2C)[C@H]1C ZINC001088636937 778371863 /nfs/dbraw/zinc/37/18/63/778371863.db2.gz GCQXSHAQOWZPEK-MNOVXSKESA-N 0 1 298.333 2.904 20 30 CFEDMN C#CCC1(C(=O)N(C)C[C@H]2CCN2CC=C(C)C)CCC1 ZINC001235210807 778416790 /nfs/dbraw/zinc/41/67/90/778416790.db2.gz XCGMUWYFTGIKAK-MRXNPFEDSA-N 0 1 288.435 2.679 20 30 CFEDMN C=C[C@](C)(CC)C(=O)N(C)C[C@H](C)NCC(=C)Cl ZINC001277930167 778430418 /nfs/dbraw/zinc/43/04/18/778430418.db2.gz WZAYLMJMKSAMEO-GXTWGEPZSA-N 0 1 272.820 2.778 20 30 CFEDMN C=C(C)CN1CC[C@@H]1CN(C)C(=O)C[C@H](OCC)C(C)C ZINC001235259961 778436946 /nfs/dbraw/zinc/43/69/46/778436946.db2.gz FBRZCPNPJAGJKI-CVEARBPZSA-N 0 1 296.455 2.546 20 30 CFEDMN N#CCC1CN(Cc2cc(F)cc(Br)c2O)C1 ZINC001235297696 778448776 /nfs/dbraw/zinc/44/87/76/778448776.db2.gz OZRBCRYPKKINOF-UHFFFAOYSA-N 0 1 299.143 2.639 20 30 CFEDMN CCCC[C@H](CC)CN1CCO[C@H]2CN(CCC#N)C[C@@H]21 ZINC001277936872 778456054 /nfs/dbraw/zinc/45/60/54/778456054.db2.gz SGHAZPAWCHMRIM-ULQDDVLXSA-N 0 1 293.455 2.501 20 30 CFEDMN N#CC(C(=O)Nc1ccccc1)C(=O)c1ccc(Cl)o1 ZINC000127971673 778463235 /nfs/dbraw/zinc/46/32/35/778463235.db2.gz QPACZKNDEVFHBZ-SNVBAGLBSA-N 0 1 288.690 2.894 20 30 CFEDMN C=CCN1CC[C@H](NC(=O)c2cc(F)ccc2C)[C@H]1C ZINC001088777626 778488425 /nfs/dbraw/zinc/48/84/25/778488425.db2.gz KGVIBAHVUFQXSF-DOMZBBRYSA-N 0 1 276.355 2.513 20 30 CFEDMN C#CCN(C)Cc1ccc(Br)c(OCC)c1 ZINC001235450138 778494323 /nfs/dbraw/zinc/49/43/23/778494323.db2.gz UYSCRXWGNSHEML-UHFFFAOYSA-N 0 1 282.181 2.913 20 30 CFEDMN C=CCN1CC[C@H](NC(=O)c2occc2C(C)C)[C@H]1C ZINC001088813208 778518885 /nfs/dbraw/zinc/51/88/85/778518885.db2.gz IYNFUHRYOFYFTK-OCCSQVGLSA-N 0 1 276.380 2.782 20 30 CFEDMN CC(C)(C)C#CC(=O)NCCNCc1ccccc1Cl ZINC001126893577 778525915 /nfs/dbraw/zinc/52/59/15/778525915.db2.gz SVZZSSBZXJRHEP-UHFFFAOYSA-N 0 1 292.810 2.595 20 30 CFEDMN C#CC1CCN(Cc2c(C)cncc2Br)CC1 ZINC001235650886 778529351 /nfs/dbraw/zinc/52/93/51/778529351.db2.gz PPGFUFWGXTZHNG-UHFFFAOYSA-N 0 1 293.208 2.998 20 30 CFEDMN CC#CC[N@@H+](C)CCCNC(=O)CCCC(C)(C)C ZINC001235683454 778535104 /nfs/dbraw/zinc/53/51/04/778535104.db2.gz KGWBPAMRXXCYRH-UHFFFAOYSA-N 0 1 266.429 2.664 20 30 CFEDMN C=CCN1C[C@@H]2CCN(C(=O)c3ccc(Cl)s3)[C@@H]2C1 ZINC001076531698 778594287 /nfs/dbraw/zinc/59/42/87/778594287.db2.gz YXFQJDDPEXAFMR-WDEREUQCSA-N 0 1 296.823 2.734 20 30 CFEDMN CCc1nc(C#N)c(C#N)nc1-c1cc(O)cc(Cl)c1 ZINC001235900219 778599258 /nfs/dbraw/zinc/59/92/58/778599258.db2.gz LZOIDWQEFJUJLS-UHFFFAOYSA-N 0 1 284.706 2.808 20 30 CFEDMN C=CCN1C[C@@H]2CCN(C(=O)c3coc4ccccc34)[C@@H]2C1 ZINC001076636375 778600082 /nfs/dbraw/zinc/60/00/82/778600082.db2.gz BSXRLYOWXVLSKY-XJKSGUPXSA-N 0 1 296.370 2.765 20 30 CFEDMN CCCCCCCCC(=O)C(C#N)C(=O)NC1CC1 ZINC000129345283 778713589 /nfs/dbraw/zinc/71/35/89/778713589.db2.gz ULMWNJQVAPKPLF-CYBMUJFWSA-N 0 1 264.369 2.724 20 30 CFEDMN Cc1ccc(F)c(-c2ncnc3[nH]cc(C#N)c32)c1O ZINC001236391492 778800591 /nfs/dbraw/zinc/80/05/91/778800591.db2.gz NOOFTIMWGSJUJR-UHFFFAOYSA-N 0 1 268.251 2.650 20 30 CFEDMN C=C(C)CCN1CC(NC(=O)C[C@@H]2CCC[C@H]2C)C1 ZINC001030359695 778845753 /nfs/dbraw/zinc/84/57/53/778845753.db2.gz OXDGPCOPYKKHJR-KGLIPLIRSA-N 0 1 264.413 2.579 20 30 CFEDMN COc1ccc(C#N)cc1-c1cncc2nc[nH]c21 ZINC001236543270 778872458 /nfs/dbraw/zinc/87/24/58/778872458.db2.gz WUXLNRQVDZGSJH-UHFFFAOYSA-N 0 1 250.261 2.505 20 30 CFEDMN CCCCC(=O)C(C#N)C(=O)Nc1ccccc1OC ZINC000129913312 778888669 /nfs/dbraw/zinc/88/86/69/778888669.db2.gz ULXINGVZFBZVNK-LLVKDONJSA-N 0 1 274.320 2.533 20 30 CFEDMN CC#CCN1CC(C)(C)CC[C@@H]1CNC(=O)/C(C)=C/C ZINC001099016830 778914101 /nfs/dbraw/zinc/91/41/01/778914101.db2.gz NVVIETCMSVZFMI-KEQVLUGWSA-N 0 1 276.424 2.583 20 30 CFEDMN CC#CCN1CC(C)(C)CC[C@@H]1CNC(=O)/C(C)=C\C ZINC001099016832 778914565 /nfs/dbraw/zinc/91/45/65/778914565.db2.gz NVVIETCMSVZFMI-XIEDVDOYSA-N 0 1 276.424 2.583 20 30 CFEDMN C=CCN1CC[C@H](NC(=O)c2csc(C(C)C)n2)[C@H]1C ZINC001088924010 778950759 /nfs/dbraw/zinc/95/07/59/778950759.db2.gz CJZYOGWIAVQZLO-NEPJUHHUSA-N 0 1 293.436 2.645 20 30 CFEDMN C[C@@H]1CCN(Cc2cc(C#N)ccc2O)CC1(F)F ZINC001232673493 778960499 /nfs/dbraw/zinc/96/04/99/778960499.db2.gz IAMPYOURROIGCA-SNVBAGLBSA-N 0 1 266.291 2.741 20 30 CFEDMN C#CCN1CC[C@H](NC(=O)C[C@@H]2CCCC(C)(C)C2)[C@H]1C ZINC001088980873 778965952 /nfs/dbraw/zinc/96/59/52/778965952.db2.gz VGGJSCZSZJMXBP-PMPSAXMXSA-N 0 1 290.451 2.805 20 30 CFEDMN N#CCCN(Cc1cccc(-n2cncn2)c1)C1CCCC1 ZINC001236885631 778973760 /nfs/dbraw/zinc/97/37/60/778973760.db2.gz RUHBOVMXMUCOGF-UHFFFAOYSA-N 0 1 295.390 2.926 20 30 CFEDMN C=CCN1CC[C@H](NC(=O)c2cc3[nH]ccc3s2)[C@H]1C ZINC001089007813 778973751 /nfs/dbraw/zinc/97/37/51/778973751.db2.gz YCYSNTLEADPKHT-MNOVXSKESA-N 0 1 289.404 2.608 20 30 CFEDMN C=CCN1CC[C@H](NC(=O)c2ccc(CC)cc2)[C@H]1C ZINC001089017004 778973968 /nfs/dbraw/zinc/97/39/68/778973968.db2.gz HFWUTLGWDQBECK-CJNGLKHVSA-N 0 1 272.392 2.628 20 30 CFEDMN CC#CCN1CC[C@H](NC(=O)C2CC(C(C)(C)C)C2)[C@H]1C ZINC001089070807 778986556 /nfs/dbraw/zinc/98/65/56/778986556.db2.gz ZCZYXITYRFZWFM-LMPOIIKSSA-N 0 1 290.451 2.661 20 30 CFEDMN CC#CCN1CC[C@H](NC(=O)[C@@H]2CCCCC2(C)C)[C@H]1C ZINC001089068272 778987208 /nfs/dbraw/zinc/98/72/08/778987208.db2.gz WELLRKACKYOPEF-PMPSAXMXSA-N 0 1 290.451 2.805 20 30 CFEDMN C#CCN1CC[C@H](NC(=O)c2ccc(CC)c(CC)c2)[C@H]1C ZINC001089095782 778997662 /nfs/dbraw/zinc/99/76/62/778997662.db2.gz VKDFGPPBJITNNX-KDOFPFPSSA-N 0 1 298.430 2.637 20 30 CFEDMN CCO[C@@H]1CCCN(Cc2ccc(C)cc2C#N)C1 ZINC001232966532 779000675 /nfs/dbraw/zinc/00/06/75/779000675.db2.gz PLIVKPIXLBVUSY-MRXNPFEDSA-N 0 1 258.365 2.868 20 30 CFEDMN Cc1ccc(CC(=O)Nc2cc(C#N)ccc2O)s1 ZINC000176403951 779124329 /nfs/dbraw/zinc/12/43/29/779124329.db2.gz YCHBUCWTTUICPN-UHFFFAOYSA-N 0 1 272.329 2.815 20 30 CFEDMN C[C@H]1CCN(Cc2cc(C#N)c(F)cc2F)CC[C@]1(C)O ZINC001237524908 779126724 /nfs/dbraw/zinc/12/67/24/779126724.db2.gz NTAAGBHCJMOCOQ-ZBEGNZNMSA-N 0 1 294.345 2.819 20 30 CFEDMN COCC[C@@H]1CCCCN1Cc1cn2cc(C#N)ccc2n1 ZINC001237615158 779142692 /nfs/dbraw/zinc/14/26/92/779142692.db2.gz UHDKBJIVOHMGSG-INIZCTEOSA-N 0 1 298.390 2.597 20 30 CFEDMN C[C@@H]1CCN(Cc2cc(Cl)cc(C#N)c2)C[C@]1(C)O ZINC001237747381 779173324 /nfs/dbraw/zinc/17/33/24/779173324.db2.gz VOHJHNLEFKHQBA-ABAIWWIYSA-N 0 1 278.783 2.804 20 30 CFEDMN N#Cc1cc(Cl)cc(CN2CCCC[C@@](O)(CF)C2)c1 ZINC001237747374 779173720 /nfs/dbraw/zinc/17/37/20/779173720.db2.gz VIJLYERRMUJZCU-OAHLLOKOSA-N 0 1 296.773 2.898 20 30 CFEDMN CC#CCN1CC(C)(C)CC[C@H]1CNC(=O)[C@H](F)C(C)C ZINC001099188802 779193694 /nfs/dbraw/zinc/19/36/94/779193694.db2.gz JYBIAJOVXLFLNV-LSDHHAIUSA-N 0 1 296.430 2.611 20 30 CFEDMN N#C[C@@H]1C[C@H](F)CN1Cc1cc(F)c(O)c(Cl)c1 ZINC001237992548 779223869 /nfs/dbraw/zinc/22/38/69/779223869.db2.gz MABVQZFBXLXGPD-IUCAKERBSA-N 0 1 272.682 2.621 20 30 CFEDMN N#CCCN(CCC#N)Cc1n[nH]c2cc(Cl)ccc21 ZINC001238004538 779228149 /nfs/dbraw/zinc/22/81/49/779228149.db2.gz QIPDCERFXKDMCM-UHFFFAOYSA-N 0 1 287.754 2.846 20 30 CFEDMN C=CCOCCN1CC[C@@H]1CN(C)C(=O)CC(C)(C)CC ZINC001234538255 779242038 /nfs/dbraw/zinc/24/20/38/779242038.db2.gz WZFSUCCXVGTYTM-OAHLLOKOSA-N 0 1 296.455 2.548 20 30 CFEDMN N#Cc1ccc(CN2CCC[C@](F)(CO)CC2)c(Cl)c1 ZINC001238084077 779249709 /nfs/dbraw/zinc/24/97/09/779249709.db2.gz YYSOGWKEXICQSJ-OAHLLOKOSA-N 0 1 296.773 2.898 20 30 CFEDMN N#CC(C(=O)C[C@H]1CCC2(CCC2)O1)c1cccc(F)n1 ZINC001122658206 779283005 /nfs/dbraw/zinc/28/30/05/779283005.db2.gz OQCOPMSHFQLCCS-VXGBXAGGSA-N 0 1 288.322 2.889 20 30 CFEDMN N#C[C@@H]1CN(Cc2cccc(-c3cccs3)n2)CCC1=O ZINC001238220941 779284343 /nfs/dbraw/zinc/28/43/43/779284343.db2.gz UFUJOFUGDUZOIQ-GFCCVEGCSA-N 0 1 297.383 2.725 20 30 CFEDMN C=C(C)CN1CC[C@H]1CN(C)C(=O)C[C@@H](OCC)C(C)C ZINC001235259968 779333821 /nfs/dbraw/zinc/33/38/21/779333821.db2.gz FBRZCPNPJAGJKI-JKSUJKDBSA-N 0 1 296.455 2.546 20 30 CFEDMN N#C[C@H]1CN(Cc2ccc(F)c(C3CC3)c2)CCC1=O ZINC001238511848 779335643 /nfs/dbraw/zinc/33/56/43/779335643.db2.gz OZGBDRXNIUNOCD-ZDUSSCGKSA-N 0 1 272.323 2.618 20 30 CFEDMN C#CCN1CC[C@@](C)(NC(=O)c2ccc(C(C)(C)C)cc2)C1 ZINC001046795492 779377401 /nfs/dbraw/zinc/37/74/01/779377401.db2.gz TYZRDRHBGQJWAV-LJQANCHMSA-N 0 1 298.430 2.812 20 30 CFEDMN CCc1cc(CN2C[C@@H]3OCC(F)(F)[C@@H]3C2)ccc1C#N ZINC001238760402 779383294 /nfs/dbraw/zinc/38/32/94/779383294.db2.gz KFIXJCMITYXHML-CABCVRRESA-N 0 1 292.329 2.587 20 30 CFEDMN CN1CCN(c2cc(-c3ccc(CS)cc3)ccn2)CC1 ZINC001238826867 779399993 /nfs/dbraw/zinc/39/99/93/779399993.db2.gz YGWJWFLVSGJOOX-UHFFFAOYSA-N 0 1 299.443 2.930 20 30 CFEDMN C=CCN1CC(CNC(=O)c2ccc(F)c(C(F)F)c2)C1 ZINC001031676192 779526086 /nfs/dbraw/zinc/52/60/86/779526086.db2.gz KVMLPMRVHDPHFQ-UHFFFAOYSA-N 0 1 298.308 2.611 20 30 CFEDMN C#CCN1CC(C)(C)CC[C@@H]1CNC(=O)c1ccccc1 ZINC001089602188 779538033 /nfs/dbraw/zinc/53/80/33/779538033.db2.gz YNUIGPBXBJBOBT-MRXNPFEDSA-N 0 1 284.403 2.540 20 30 CFEDMN C=CCN1CC(C)(C)CC[C@H]1CNC(=O)c1ccoc1C ZINC001089608031 779544321 /nfs/dbraw/zinc/54/43/21/779544321.db2.gz VXEXXLOMVKYRPF-AWEZNQCLSA-N 0 1 290.407 2.994 20 30 CFEDMN C=CC[N@H+]1CC(C)(C)CC[C@@H]1CNC(=O)C1CC=CC1 ZINC001089623158 779546746 /nfs/dbraw/zinc/54/67/46/779546746.db2.gz NEDBJOXLZOBTIZ-OAHLLOKOSA-N 0 1 276.424 2.745 20 30 CFEDMN CCCCCCCCCCNC(=S)N1CCNCC1 ZINC001239402701 779547825 /nfs/dbraw/zinc/54/78/25/779547825.db2.gz STFLXCYDAKBCGY-UHFFFAOYSA-N 0 1 285.501 2.907 20 30 CFEDMN C=CCN1CC(C)(C)CC[C@@H]1CNC(=O)c1cc(F)c[nH]1 ZINC001089671124 779559706 /nfs/dbraw/zinc/55/97/06/779559706.db2.gz LQZHWFBSOOUCDK-CYBMUJFWSA-N 0 1 293.386 2.560 20 30 CFEDMN CCCCCCCCNC(=S)N1CCNC[C@@H]1CC ZINC001239436745 779565803 /nfs/dbraw/zinc/56/58/03/779565803.db2.gz KVGUWLUWYRWJEI-AWEZNQCLSA-N 0 1 285.501 2.905 20 30 CFEDMN C=CCN1CC(C)(C)CC[C@H]1CNC(=O)c1cc(C)co1 ZINC001089685314 779566217 /nfs/dbraw/zinc/56/62/17/779566217.db2.gz BFEZIJWWWQLGRJ-AWEZNQCLSA-N 0 1 290.407 2.994 20 30 CFEDMN CCCCCCCCNC(=S)N1C[C@@H](C)N[C@H](C)C1 ZINC001239459367 779576014 /nfs/dbraw/zinc/57/60/14/779576014.db2.gz DDKACJKBWBXKQZ-ZIAGYGMSSA-N 0 1 285.501 2.904 20 30 CFEDMN C=C(C)CN1CC(CNC(=O)[C@@H]2CCCc3ccccc32)C1 ZINC001031771903 779599310 /nfs/dbraw/zinc/59/93/10/779599310.db2.gz ATZQTHDSNWJCPY-GOSISDBHSA-N 0 1 298.430 2.731 20 30 CFEDMN C=CCN1CC(CNC(=O)c2cccc3c(C)c(C)[nH]c32)C1 ZINC001031775585 779600557 /nfs/dbraw/zinc/60/05/57/779600557.db2.gz HSXCPKCFTOEFTN-UHFFFAOYSA-N 0 1 297.402 2.632 20 30 CFEDMN C#CCCN1CC(CNC(=O)c2cc3ccccc3s2)C1 ZINC001031822301 779628531 /nfs/dbraw/zinc/62/85/31/779628531.db2.gz SUYJQGKUGDMSFR-UHFFFAOYSA-N 0 1 298.411 2.586 20 30 CFEDMN C=CCN1CC(CNC(=O)C2CCCCCCC2)C1 ZINC001031836004 779636299 /nfs/dbraw/zinc/63/62/99/779636299.db2.gz LXXXTKWHQXDBJC-UHFFFAOYSA-N 0 1 264.413 2.581 20 30 CFEDMN C=CCN1C[C@]2(CC1=O)CCCCN2Cc1ncccc1C ZINC001272715373 779712558 /nfs/dbraw/zinc/71/25/58/779712558.db2.gz IEAZBIUESRQEOO-GOSISDBHSA-N 0 1 299.418 2.533 20 30 CFEDMN CS(=O)(=O)c1ccc(-c2nccc3[nH]cc(C#N)c32)cc1 ZINC001239698099 779714799 /nfs/dbraw/zinc/71/47/99/779714799.db2.gz JNINVEBXMDRILA-UHFFFAOYSA-N 0 1 297.339 2.505 20 30 CFEDMN C=C(C)CN1CC(CNC(=O)[C@H]2CCCC[C@H]2CC)C1 ZINC001032088345 779733750 /nfs/dbraw/zinc/73/37/50/779733750.db2.gz HPERYLAFOXOBOQ-CVEARBPZSA-N 0 1 278.440 2.827 20 30 CFEDMN C=C(C)CN1CC(CNC(=O)c2cc3ccccc3o2)C1 ZINC001032171424 779753132 /nfs/dbraw/zinc/75/31/32/779753132.db2.gz NVACTYOXXOUJLM-UHFFFAOYSA-N 0 1 284.359 2.671 20 30 CFEDMN C=CCN1CC(CNC(=O)c2oc3ccccc3c2CC)C1 ZINC001032218002 779773608 /nfs/dbraw/zinc/77/36/08/779773608.db2.gz ZLNUBEQNYRSVOW-UHFFFAOYSA-N 0 1 298.386 2.843 20 30 CFEDMN C=C(C)CCN1C[C@@H]2C[C@H]1CN2C(=O)c1ccc(Cl)o1 ZINC001032279824 779806293 /nfs/dbraw/zinc/80/62/93/779806293.db2.gz GACYHANEDZLSIZ-RYUDHWBXSA-N 0 1 294.782 2.798 20 30 CFEDMN N#Cc1nc(-c2cc(F)c(C#N)c(F)c2)cc2[nH]cnc21 ZINC001239912996 779856109 /nfs/dbraw/zinc/85/61/09/779856109.db2.gz UHVLSIQWHAVJAM-UHFFFAOYSA-N 0 1 281.225 2.646 20 30 CFEDMN CN(C)C(=O)c1cccc(-c2nccc3[nH]cc(C#N)c32)c1 ZINC001239923783 779861570 /nfs/dbraw/zinc/86/15/70/779861570.db2.gz RABSIPVVSZHCSL-UHFFFAOYSA-N 0 1 290.326 2.803 20 30 CFEDMN Cn1ccc2cc(-c3cc4[nH]cnc4c(C#N)n3)ccc21 ZINC001239939262 779874720 /nfs/dbraw/zinc/87/47/20/779874720.db2.gz OFAWMQVBENDRJR-UHFFFAOYSA-N 0 1 273.299 2.988 20 30 CFEDMN C=C(C)CCN1CCO[C@](C)(CNC(=O)CCC(C)C)C1 ZINC001107724715 779888261 /nfs/dbraw/zinc/88/82/61/779888261.db2.gz UWVFARPUDAMSAL-QGZVFWFLSA-N 0 1 296.455 2.596 20 30 CFEDMN C=C(C)CCN1CCO[C@](C)(CNC(=O)/C(C)=C/CC)C1 ZINC001107784386 779898036 /nfs/dbraw/zinc/89/80/36/779898036.db2.gz WTSDAVCNQNYGMZ-SXKJYUOZSA-N 0 1 294.439 2.516 20 30 CFEDMN C=C(C)CCN1C[C@@H]2C[C@H]1CN2C(=O)c1sccc1F ZINC001032389037 779917866 /nfs/dbraw/zinc/91/78/66/779917866.db2.gz DKLPUKUIHHQLOI-RYUDHWBXSA-N 0 1 294.395 2.752 20 30 CFEDMN CCCCCCCCOC(=O)N1CCN[C@H](C)C1 ZINC001239329858 779931584 /nfs/dbraw/zinc/93/15/84/779931584.db2.gz IVUHXBSMFNVZTK-CYBMUJFWSA-N 0 1 256.390 2.777 20 30 CFEDMN C=CCCN1CCO[C@@](C)(CNC(=O)[C@H](C)CCCC)C1 ZINC001107911969 779937782 /nfs/dbraw/zinc/93/77/82/779937782.db2.gz CLIJJIYSMUPHKL-WBVHZDCISA-N 0 1 296.455 2.596 20 30 CFEDMN C=C(C)CN1C[C@@H]2C[C@H]1CN2C(=O)[C@H](C)C(C)(C)C ZINC001032476890 779971914 /nfs/dbraw/zinc/97/19/14/779971914.db2.gz ZRFMBWAPBSBEFY-IHRRRGAJSA-N 0 1 264.413 2.530 20 30 CFEDMN C=C(C)CCN1C[C@@H]2C[C@H]1CN2C(=O)c1ccc(CC)o1 ZINC001032481694 779975610 /nfs/dbraw/zinc/97/56/10/779975610.db2.gz VECKLPJANGLRJJ-KBPBESRZSA-N 0 1 288.391 2.707 20 30 CFEDMN C#Cc1cccnc1NC1=CCCN(C(=O)OC(C)(C)C)C1 ZINC001205229606 779979926 /nfs/dbraw/zinc/97/99/26/779979926.db2.gz PGTYZXDNMUTVTG-UHFFFAOYSA-N 0 1 299.374 3.000 20 30 CFEDMN CCC1(Nc2cc(/C=N/[O-])cc(C(F)(F)F)c2)C[NH2+]C1 ZINC001168582021 780001445 /nfs/dbraw/zinc/00/14/45/780001445.db2.gz FCDQLMIOGODWMY-NGYBGAFCSA-N 0 1 287.285 2.677 20 30 CFEDMN C=C(C)CN1C[C@@H]2C[C@H]1CN2C(=O)C1CCC2(CC2)CC1 ZINC001032522959 780012823 /nfs/dbraw/zinc/01/28/23/780012823.db2.gz ITADTKSBABBLFV-HOTGVXAUSA-N 0 1 288.435 2.818 20 30 CFEDMN C=C(Cl)CN1C[C@@H]2CN(C(=O)[C@H](C)C(C)(C)C)C[C@@H]2C1 ZINC001048892964 780087459 /nfs/dbraw/zinc/08/74/59/780087459.db2.gz FONTUWSVFCMAHD-MELADBBJSA-N 0 1 298.858 2.811 20 30 CFEDMN COc1ccc([C@@H]2C[C@@H](N(C)CCC#N)CCO2)cc1 ZINC001168628395 780122612 /nfs/dbraw/zinc/12/26/12/780122612.db2.gz DXERAVIAYOWXRH-HOCLYGCPSA-N 0 1 274.364 2.761 20 30 CFEDMN C=C(Cl)CNCCNC(=O)c1scc(C)c1Cl ZINC001128075800 780132697 /nfs/dbraw/zinc/13/26/97/780132697.db2.gz XZPRZGVBNJXIIF-UHFFFAOYSA-N 0 1 293.219 2.782 20 30 CFEDMN C=C(C)CN1CC[C@]2(CCCN2Cc2cccnc2C)C1=O ZINC001272828453 780155626 /nfs/dbraw/zinc/15/56/26/780155626.db2.gz RNQCKGHGAIWXCT-GOSISDBHSA-N 0 1 299.418 2.533 20 30 CFEDMN C=CCO[C@H]1CCN(Cc2cccc([N+](=O)[O-])c2C)C1 ZINC001116556216 780188240 /nfs/dbraw/zinc/18/82/40/780188240.db2.gz LPRMSRAOTCZXNV-AWEZNQCLSA-N 0 1 276.336 2.680 20 30 CFEDMN C=CCN1CCc2c(CNC(=O)C(C)C)cccc2C1 ZINC001272909563 780208121 /nfs/dbraw/zinc/20/81/21/780208121.db2.gz PCWZJWYIMXUKJX-UHFFFAOYSA-N 0 1 272.392 2.503 20 30 CFEDMN COc1ccc([C@H]2C[C@H](N3CC[C@H](C#N)C3)CCO2)cc1 ZINC001168658602 780213056 /nfs/dbraw/zinc/21/30/56/780213056.db2.gz APLCODXYPFZHNB-FRFSOERESA-N 0 1 286.375 2.761 20 30 CFEDMN C=C[C@@H](C(=O)N1C[C@@H]2C[C@H]1CN2CC(=C)C)c1ccccc1 ZINC001032796460 780249256 /nfs/dbraw/zinc/24/92/56/780249256.db2.gz BCFOYNMCILOKRR-OKZBNKHCSA-N 0 1 296.414 2.817 20 30 CFEDMN C=C(C)CN1C[C@@H]2C[C@H]1CN2C(=O)CC(C1CC1)C1CC1 ZINC001032803196 780259269 /nfs/dbraw/zinc/25/92/69/780259269.db2.gz IKMVDLYVDMGXKL-HOTGVXAUSA-N 0 1 288.435 2.674 20 30 CFEDMN C=C(C)CN1C[C@@]2(CC1=O)CCCCN2Cc1ccc[nH]1 ZINC001272928965 780286410 /nfs/dbraw/zinc/28/64/10/780286410.db2.gz IXUAIWMODRDPIV-KRWDZBQOSA-N 0 1 287.407 2.548 20 30 CFEDMN C=C(C)CCN1C[C@@H]2C[C@H]1CN2C(=O)c1ccc(F)s1 ZINC001032813358 780287460 /nfs/dbraw/zinc/28/74/60/780287460.db2.gz TWGJHWJQMTZUHT-RYUDHWBXSA-N 0 1 294.395 2.752 20 30 CFEDMN C=CC(C)(C)CC(=O)NCCNCc1ccc(F)cc1F ZINC001128242034 780369952 /nfs/dbraw/zinc/36/99/52/780369952.db2.gz JLPATPSNJZMTHT-UHFFFAOYSA-N 0 1 296.361 2.773 20 30 CFEDMN CSc1ncc(C#N)c(-c2ccc(O)c(F)c2)n1 ZINC001240783559 780436149 /nfs/dbraw/zinc/43/61/49/780436149.db2.gz URZMEWXNMCZMIE-UHFFFAOYSA-N 0 1 261.281 2.582 20 30 CFEDMN N#Cc1nc2[nH]ccc2cc1-c1ccc(O)c(F)c1 ZINC001240786324 780440213 /nfs/dbraw/zinc/44/02/13/780440213.db2.gz GWNWXRQLSBRWDM-UHFFFAOYSA-N 0 1 253.236 2.898 20 30 CFEDMN Cc1ccc(-c2ccc(N3CCN(C)CC3)cc2)c(C#N)n1 ZINC001240851867 780478200 /nfs/dbraw/zinc/47/82/00/780478200.db2.gz BFACWBIBELSIIH-UHFFFAOYSA-N 0 1 292.386 2.681 20 30 CFEDMN C=C(C)CN1CC[C@@H](N(C)C(=O)c2ccoc2CC)C1 ZINC001033044335 780541014 /nfs/dbraw/zinc/54/10/14/780541014.db2.gz WNNWUEGAPKCLFV-CYBMUJFWSA-N 0 1 276.380 2.564 20 30 CFEDMN C=CCN1CC[C@H](N(C)C(=O)c2ccc3occc3c2)C1 ZINC001033096740 780559101 /nfs/dbraw/zinc/55/91/01/780559101.db2.gz CQLPNQCQAJRZTD-HNNXBMFYSA-N 0 1 284.359 2.765 20 30 CFEDMN CC#CCN1CC[C@H](N(C)C(=O)C(C)(C)C2CCCC2)C1 ZINC001033152268 780584385 /nfs/dbraw/zinc/58/43/85/780584385.db2.gz PIXWYZBZJQZEJH-INIZCTEOSA-N 0 1 290.451 2.759 20 30 CFEDMN C=CCN1CC[C@@H](N(C)C(=O)C(C)(C)C2CCCC2)C1 ZINC001033156341 780585995 /nfs/dbraw/zinc/58/59/95/780585995.db2.gz RSXOQBUKDOBIPA-OAHLLOKOSA-N 0 1 278.440 2.922 20 30 CFEDMN C#CCN1CC[C@@H](N(C)C(=O)Cc2cccc(C(C)C)c2)C1 ZINC001033227847 780622824 /nfs/dbraw/zinc/62/28/24/780622824.db2.gz FTINGGHZGSTSRD-GOSISDBHSA-N 0 1 298.430 2.518 20 30 CFEDMN C=C(C)CN1CC[C@@H](N(C)C(=O)c2cc(C(C)C)on2)C1 ZINC001033305467 780645893 /nfs/dbraw/zinc/64/58/93/780645893.db2.gz GTOZGJQPAUQYBY-CYBMUJFWSA-N 0 1 291.395 2.520 20 30 CFEDMN C=CCN1CC[C@@H](N(C)C(=O)C(C)(C)c2cccs2)C1 ZINC001033324112 780651111 /nfs/dbraw/zinc/65/11/11/780651111.db2.gz BXWMMDYEXNQIMM-CYBMUJFWSA-N 0 1 292.448 2.744 20 30 CFEDMN C=C(C)CN1CC[C@H](N(C)C(=O)c2coc(C(F)F)c2)C1 ZINC001033362961 780665493 /nfs/dbraw/zinc/66/54/93/780665493.db2.gz OGNPGBRJWKJBDP-LBPRGKRZSA-N 0 1 298.333 2.940 20 30 CFEDMN C=C(C)CN1CC[C@@H](N(C)C(=O)c2occc2Cl)C1 ZINC001033392035 780669514 /nfs/dbraw/zinc/66/95/14/780669514.db2.gz UROUKEOOERBDCF-LLVKDONJSA-N 0 1 282.771 2.655 20 30 CFEDMN C=CCN1CC[C@@H](N(C)C(=O)[C@H]2CCCC(F)(F)C2)C1 ZINC001033412854 780677046 /nfs/dbraw/zinc/67/70/46/780677046.db2.gz JKDMQJMYTJLVIY-QWHCGFSZSA-N 0 1 286.366 2.531 20 30 CFEDMN C=CCN1CC[C@H](N(C)C(=O)C2[C@H]3CCCCCC[C@H]23)C1 ZINC001033446012 780683852 /nfs/dbraw/zinc/68/38/52/780683852.db2.gz DHPLSNGKJDSGPM-JYJNAYRXSA-N 0 1 290.451 2.922 20 30 CFEDMN C=C(C)CN1CC[C@H](N(C)C(=O)[C@@H](F)c2ccccc2)C1 ZINC001033462195 780688073 /nfs/dbraw/zinc/68/80/73/780688073.db2.gz SBHCAVPDBZKNMC-HOTGVXAUSA-N 0 1 290.382 2.806 20 30 CFEDMN C=CCN1CC[C@@H](N(C)C(=O)c2cc(Cl)ccc2C)C1 ZINC001033508951 780695515 /nfs/dbraw/zinc/69/55/15/780695515.db2.gz CBWDYJBTCUMTCH-CQSZACIVSA-N 0 1 292.810 2.981 20 30 CFEDMN C=CCN1CC[C@H](N(C)C(=O)[C@H](C)c2cc(C)oc2C)C1 ZINC001033511684 780699129 /nfs/dbraw/zinc/69/91/29/780699129.db2.gz BWGCZXLDNKLDPM-HIFRSBDPSA-N 0 1 290.407 2.719 20 30 CFEDMN C#CCN1CC[C@H](N(C)C(=O)[C@@H](C)c2ccc(CC)cc2)C1 ZINC001033515670 780701482 /nfs/dbraw/zinc/70/14/82/780701482.db2.gz YEPLGSJOIRXMRQ-YJBOKZPZSA-N 0 1 298.430 2.518 20 30 CFEDMN C#CCN1CC[C@H](N(C)C(=O)[C@H](C)c2ccc(CC)cc2)C1 ZINC001033515669 780701727 /nfs/dbraw/zinc/70/17/27/780701727.db2.gz YEPLGSJOIRXMRQ-QAPCUYQASA-N 0 1 298.430 2.518 20 30 CFEDMN C=CCN1CC[C@@H](N(C)C(=O)c2ccc3ccn(C)c3c2)C1 ZINC001033555417 780713904 /nfs/dbraw/zinc/71/39/04/780713904.db2.gz PLDIKOOSLCNQMR-MRXNPFEDSA-N 0 1 297.402 2.511 20 30 CFEDMN CCOc1ccc(OC)cc1-c1cc2[nH]cnc2c(C#N)n1 ZINC001241238049 780724119 /nfs/dbraw/zinc/72/41/19/780724119.db2.gz ZXIHLRKPZIKGSU-UHFFFAOYSA-N 0 1 294.314 2.904 20 30 CFEDMN C=C(C)CN1CC[C@H](N(C)C(=O)c2ccc(C(F)F)o2)C1 ZINC001033620655 780731735 /nfs/dbraw/zinc/73/17/35/780731735.db2.gz UMLVBIQGMRPYOO-NSHDSACASA-N 0 1 298.333 2.940 20 30 CFEDMN C#CCN1CC[C@H](N(C)C(=O)c2ccccc2C2CCC2)C1 ZINC001033624878 780733392 /nfs/dbraw/zinc/73/33/92/780733392.db2.gz QHMQOKAGMCHPNJ-INIZCTEOSA-N 0 1 296.414 2.734 20 30 CFEDMN C=CCN1CC[C@H](N(C)C(=O)C23CCC(CC2)CC3)C1 ZINC001033675575 780746421 /nfs/dbraw/zinc/74/64/21/780746421.db2.gz JKQUIQSGJJJBKC-CKDBGZEDSA-N 0 1 276.424 2.676 20 30 CFEDMN C=CCN1CC[C@H](N(C)C(=O)c2ccoc2C(C)C)C1 ZINC001033695062 780752665 /nfs/dbraw/zinc/75/26/65/780752665.db2.gz WIMORPZGSIHYMB-ZDUSSCGKSA-N 0 1 276.380 2.735 20 30 CFEDMN N#Cc1cc(-c2c(F)ccc(O)c2F)nc(C2CC2)n1 ZINC001241291398 780761333 /nfs/dbraw/zinc/76/13/33/780761333.db2.gz OFZLDXPIJTVXRV-UHFFFAOYSA-N 0 1 273.242 2.876 20 30 CFEDMN COc1cc(C(F)(F)F)c(C#N)c(C2=CCN(C)CC2)n1 ZINC001241310804 780772394 /nfs/dbraw/zinc/77/23/94/780772394.db2.gz LRZDHWQKUKRVRD-UHFFFAOYSA-N 0 1 297.280 2.700 20 30 CFEDMN CC#CCN1CC[C@@H](N(CC)C(=O)C2C(C)(C)C2(C)C)C1 ZINC001033788620 780786839 /nfs/dbraw/zinc/78/68/39/780786839.db2.gz INRJMSWWHRBICO-CQSZACIVSA-N 0 1 290.451 2.615 20 30 CFEDMN C=CCN1CC[C@@H](N(CC)C(=O)c2ccoc2CC)C1 ZINC001033808963 780794750 /nfs/dbraw/zinc/79/47/50/780794750.db2.gz GXSHLPCSFGRIFC-CYBMUJFWSA-N 0 1 276.380 2.564 20 30 CFEDMN CC#CCN1CC[C@@H](N(CC)C(=O)C2CC3(CCC3)C2)C1 ZINC001033921815 780827440 /nfs/dbraw/zinc/82/74/40/780827440.db2.gz GFBMMZJSBKQNAO-MRXNPFEDSA-N 0 1 288.435 2.513 20 30 CFEDMN C=CCN1CC[C@@H](N(CC)C(=O)c2cc[nH]c2C(C)C)C1 ZINC001033931611 780828870 /nfs/dbraw/zinc/82/88/70/780828870.db2.gz ODPBDDMLRUCLFR-CQSZACIVSA-N 0 1 289.423 2.861 20 30 CFEDMN C=C(C)C[N@@H+]1CC[C@H](N(CC)C(=O)[C@@H]2C[C@H]2CC)C1 ZINC001033959513 780838086 /nfs/dbraw/zinc/83/80/86/780838086.db2.gz DQWJIOXLNRXQMY-QLFBSQMISA-N 0 1 264.413 2.531 20 30 CFEDMN CC#CCN1CC[C@@H](N(CC)C(=O)c2cc(C)ccc2C)C1 ZINC001034026553 780858661 /nfs/dbraw/zinc/85/86/61/780858661.db2.gz SOXKUASFOMXFPQ-QGZVFWFLSA-N 0 1 298.430 2.863 20 30 CFEDMN C=CCN1CC[C@@H](N(CC)C(=O)[C@H]2CC[C@H](C)CC2)C1 ZINC001034027174 780859398 /nfs/dbraw/zinc/85/93/98/780859398.db2.gz VROFYMARMYANQX-BZUAXINKSA-N 0 1 278.440 2.922 20 30 CFEDMN C=CCN1CC[C@H](N(CC)C(=O)c2ccc3c(c2)CCC3)C1 ZINC001034039040 780862328 /nfs/dbraw/zinc/86/23/28/780862328.db2.gz IVFCNJRGHSMEMU-SFHVURJKSA-N 0 1 298.430 2.898 20 30 CFEDMN C#CCC[N@@H+]1CC[C@@H](N(CC)C(=O)c2ccc(C)cc2)C1 ZINC001034022583 780862680 /nfs/dbraw/zinc/86/26/80/780862680.db2.gz DIGGSJRQEWQOHI-QGZVFWFLSA-N 0 1 284.403 2.555 20 30 CFEDMN C#CC[N@@H+]1CC[C@@H](N(CC)C(=O)c2ccc(C3CC3)cc2)C1 ZINC001034046707 780866526 /nfs/dbraw/zinc/86/65/26/780866526.db2.gz URMINCIPBGEDQS-GOSISDBHSA-N 0 1 296.414 2.734 20 30 CFEDMN C#CCN1CC[C@@H](N(CC)C(=O)c2ccc(C3CC3)cc2)C1 ZINC001034046707 780866536 /nfs/dbraw/zinc/86/65/36/780866536.db2.gz URMINCIPBGEDQS-GOSISDBHSA-N 0 1 296.414 2.734 20 30 CFEDMN CC(C)(C)c1nc2nc[nH]c2c(-c2ccc(C#N)nc2)n1 ZINC001241421810 780866822 /nfs/dbraw/zinc/86/68/22/780866822.db2.gz WLPQFQYDCOJJRQ-UHFFFAOYSA-N 0 1 278.319 2.536 20 30 CFEDMN CN(C)Cc1cc(-c2ccc(C#N)nc2)ccc1F ZINC001241435075 780881787 /nfs/dbraw/zinc/88/17/87/780881787.db2.gz PQLRWFNDDBAEEY-UHFFFAOYSA-N 0 1 255.296 2.821 20 30 CFEDMN C=C(C)C[N@H+]1CCCC[C@H](NC(=O)c2cnc(C)s2)C1 ZINC001034127663 780901289 /nfs/dbraw/zinc/90/12/89/780901289.db2.gz MRMQRUYLALCLSG-ZDUSSCGKSA-N 0 1 293.436 2.612 20 30 CFEDMN C=C(C)CN1CCCC[C@H](NC(=O)c2cnc(C)s2)C1 ZINC001034127663 780901294 /nfs/dbraw/zinc/90/12/94/780901294.db2.gz MRMQRUYLALCLSG-ZDUSSCGKSA-N 0 1 293.436 2.612 20 30 CFEDMN CC#CCN1CCCC[C@H](NC(=O)CC2=CCCCC2)C1 ZINC001034133964 780903790 /nfs/dbraw/zinc/90/37/90/780903790.db2.gz XDXKXETXAYACQH-KRWDZBQOSA-N 0 1 288.435 2.871 20 30 CFEDMN CC#CCN1CCCC[C@H](NC(=O)C2CCCCCC2)C1 ZINC001034133635 780903936 /nfs/dbraw/zinc/90/39/36/780903936.db2.gz XZVOGXGXJGLFGI-KRWDZBQOSA-N 0 1 290.451 2.951 20 30 CFEDMN C#CCN1CCCC[C@@H](NC(=O)[C@H]2CCCC3(CC3)C2)C1 ZINC001034203276 780920088 /nfs/dbraw/zinc/92/00/88/780920088.db2.gz CVPDVRNGIWKVJE-JKSUJKDBSA-N 0 1 288.435 2.561 20 30 CFEDMN C#CCN1CCCC[C@H](NC(=O)[C@@H]2CCC=CCCC2)C1 ZINC001034266070 780935652 /nfs/dbraw/zinc/93/56/52/780935652.db2.gz NDEVPOQPUCIERU-SJORKVTESA-N 0 1 288.435 2.727 20 30 CFEDMN C=CCN1CCCC[C@H](NC(=O)c2ccc(CC)o2)C1 ZINC001034273493 780936861 /nfs/dbraw/zinc/93/68/61/780936861.db2.gz SMCCFFHVMXMQKF-ZDUSSCGKSA-N 0 1 276.380 2.612 20 30 CFEDMN C=C(C)C[N@H+]1CCCC[C@@H](NC(=O)c2[nH]c(C)cc2C)C1 ZINC001034277985 780938155 /nfs/dbraw/zinc/93/81/55/780938155.db2.gz UYJUJTRKZHQNET-OAHLLOKOSA-N 0 1 289.423 2.792 20 30 CFEDMN C=CCN1CCCC[C@@H](NC(=O)c2c(C)oc(C)c2C)C1 ZINC001034298217 780940285 /nfs/dbraw/zinc/94/02/85/780940285.db2.gz LIXIBLIMMWQFDL-OAHLLOKOSA-N 0 1 290.407 2.975 20 30 CFEDMN N#Cc1nccnc1C1=CCN(Cc2ccccc2)CC1 ZINC001241501621 780945608 /nfs/dbraw/zinc/94/56/08/780945608.db2.gz PFNJLERATBWNOU-UHFFFAOYSA-N 0 1 276.343 2.638 20 30 CFEDMN C=CCN1CCCC[C@@H](NC(=O)c2occ3c2CCC3)C1 ZINC001034326450 780948966 /nfs/dbraw/zinc/94/89/66/780948966.db2.gz PLZDYZDSMUMYTG-CQSZACIVSA-N 0 1 288.391 2.539 20 30 CFEDMN C=C(C)C[N@H+]1CCCC[C@H](NC(=O)c2cc(C)co2)C1 ZINC001034351637 780953619 /nfs/dbraw/zinc/95/36/19/780953619.db2.gz NPOLIWLUTYWSEY-AWEZNQCLSA-N 0 1 276.380 2.748 20 30 CFEDMN C=C1CCC(C(=O)N[C@@H]2CCCCN(CC#CC)C2)CC1 ZINC001034382261 780960442 /nfs/dbraw/zinc/96/04/42/780960442.db2.gz QGKDAMQKNVFGTP-QGZVFWFLSA-N 0 1 288.435 2.727 20 30 CFEDMN C=CC[N@@H+]1CCCC[C@@H](NC(=O)C2CCC(F)CC2)C1 ZINC001034378506 780961499 /nfs/dbraw/zinc/96/14/99/780961499.db2.gz UCJLVWOULSULKD-YMAMQOFZSA-N 0 1 282.403 2.671 20 30 CFEDMN CC#CCN1CCCC[C@@H](NC(=O)[C@@H](C)C2CCCC2)C1 ZINC001034480509 780980626 /nfs/dbraw/zinc/98/06/26/780980626.db2.gz LEPCKVCMCKIQBN-DOTOQJQBSA-N 0 1 290.451 2.807 20 30 CFEDMN C#CCN1CCCC[C@@H](NC(=O)c2coc3ccccc23)C1 ZINC001034548169 780996487 /nfs/dbraw/zinc/99/64/87/780996487.db2.gz AROGVJYHILVWEQ-CQSZACIVSA-N 0 1 296.370 2.650 20 30 CFEDMN C#CCN1CCCC[C@H](NC(=O)[C@H]2CCCCC2(C)C)C1 ZINC001034544029 780997325 /nfs/dbraw/zinc/99/73/25/780997325.db2.gz LLWGUCYNDORTFS-JKSUJKDBSA-N 0 1 290.451 2.807 20 30 CFEDMN COc1nc(-c2ccc3c(C)[nH]nc3c2)ccc1C#N ZINC001241638421 781037951 /nfs/dbraw/zinc/03/79/51/781037951.db2.gz PCGCQUSPCGQTNM-UHFFFAOYSA-N 0 1 264.288 2.814 20 30 CFEDMN COC(=O)c1cc(C#N)cnc1-c1ccc2c(C)[nH]nc2c1 ZINC001241639629 781038780 /nfs/dbraw/zinc/03/87/80/781038780.db2.gz NWAWZYCSMWSXCU-UHFFFAOYSA-N 0 1 292.298 2.592 20 30 CFEDMN C=C(C)C[C@H](C)C(=O)NC[C@]1(C)CN(CCCC)CCO1 ZINC001108147598 781045629 /nfs/dbraw/zinc/04/56/29/781045629.db2.gz ANDQEGCDDITHOU-DOTOQJQBSA-N 0 1 296.455 2.596 20 30 CFEDMN COc1cc(-c2ccc(/C=N/O)c(F)c2)c(F)cn1 ZINC001241663293 781055526 /nfs/dbraw/zinc/05/55/26/781055526.db2.gz DDWFGJGSSXTOME-UBKPWBPPSA-N 0 1 264.231 2.844 20 30 CFEDMN Cc1[nH]nc2ccc(-c3ncc4c(C#N)c[nH]c4n3)cc12 ZINC001241667470 781060649 /nfs/dbraw/zinc/06/06/49/781060649.db2.gz JUYHYEXYIGLBPP-UHFFFAOYSA-N 0 1 274.287 2.681 20 30 CFEDMN COC(OC)c1c(C#N)ccnc1-c1ccc2[nH]cnc2c1 ZINC001241688026 781073406 /nfs/dbraw/zinc/07/34/06/781073406.db2.gz HVRIRQMLRYUHTG-UHFFFAOYSA-N 0 1 294.314 2.788 20 30 CFEDMN COC(=O)c1cc(-c2ccc3nc[nH]c3c2)ccc1C#N ZINC001241703547 781082402 /nfs/dbraw/zinc/08/24/02/781082402.db2.gz OYQFYHZSZWBWCE-UHFFFAOYSA-N 0 1 277.283 2.888 20 30 CFEDMN N#Cc1c[nH]c2cc(-c3ccc4nc[nH]c4c3)cnc12 ZINC001241703519 781082889 /nfs/dbraw/zinc/08/28/89/781082889.db2.gz NLBRKMHTWOCOTK-UHFFFAOYSA-N 0 1 259.272 2.978 20 30 CFEDMN C=C(Cl)CN1CCC2(C1)CCN(C(=O)[C@@H]1C[C@@H]1C)CC2 ZINC001035155622 781118877 /nfs/dbraw/zinc/11/88/77/781118877.db2.gz BKIMEVYQSFIGIP-GXTWGEPZSA-N 0 1 296.842 2.709 20 30 CFEDMN C=CCN1CC2(C1)CCN(C(=O)[C@H]1CCC[C@H](C)C1)CC2 ZINC001035781415 781167301 /nfs/dbraw/zinc/16/73/01/781167301.db2.gz PZMOBWZTRCLDLU-HOTGVXAUSA-N 0 1 290.451 2.923 20 30 CFEDMN C=CCN1CC2(C1)CCN(C(=O)[C@@H]1CCC(C)(C)C1)CC2 ZINC001035792023 781170008 /nfs/dbraw/zinc/17/00/08/781170008.db2.gz YFJQYMHKDWIHKS-OAHLLOKOSA-N 0 1 290.451 2.923 20 30 CFEDMN C=CCN1CC2(C1)CCN(C(=O)CC1CC(C)(C)C1)CC2 ZINC001035772910 781171064 /nfs/dbraw/zinc/17/10/64/781171064.db2.gz OGFIBATYVOQDFO-UHFFFAOYSA-N 0 1 290.451 2.923 20 30 CFEDMN C=CCN1CC2(C1)CCN(C(=O)c1c[nH]cc1C1CC1)CC2 ZINC001035825821 781172215 /nfs/dbraw/zinc/17/22/15/781172215.db2.gz BMHRHKRULPINFY-UHFFFAOYSA-N 0 1 299.418 2.616 20 30 CFEDMN C=CCN1CC2(C1)CCN(C(=O)Cc1ccccc1C)CC2 ZINC001035850254 781174389 /nfs/dbraw/zinc/17/43/89/781174389.db2.gz UWNXXFPDLWIEEY-UHFFFAOYSA-N 0 1 298.430 2.648 20 30 CFEDMN C=CCN1CC2(C1)CCN(C(=O)c1ccc(C)cc1)CC2 ZINC001035843684 781178134 /nfs/dbraw/zinc/17/81/34/781178134.db2.gz YAOLWZRRXDNAIR-UHFFFAOYSA-N 0 1 284.403 2.719 20 30 CFEDMN N#Cc1cnc(-c2ccc3nn[nH]c3c2)cc1C(F)(F)F ZINC001241938575 781191395 /nfs/dbraw/zinc/19/13/95/781191395.db2.gz PJPCBJOVRKFTBJ-UHFFFAOYSA-N 0 1 289.220 2.910 20 30 CFEDMN N#Cc1cnc(-c2ccc3[nH]nnc3c2)cc1C(F)(F)F ZINC001241938575 781191398 /nfs/dbraw/zinc/19/13/98/781191398.db2.gz PJPCBJOVRKFTBJ-UHFFFAOYSA-N 0 1 289.220 2.910 20 30 CFEDMN N#Cc1c(F)cc(-c2ccc3[nH]nnc3c2)cc1F ZINC001241940263 781192990 /nfs/dbraw/zinc/19/29/90/781192990.db2.gz ARBFPGAQKUHDAQ-UHFFFAOYSA-N 0 1 256.215 2.775 20 30 CFEDMN N#Cc1c(F)cc(-c2ccc3nn[nH]c3c2)cc1F ZINC001241940263 781192991 /nfs/dbraw/zinc/19/29/91/781192991.db2.gz ARBFPGAQKUHDAQ-UHFFFAOYSA-N 0 1 256.215 2.775 20 30 CFEDMN N#Cc1cc(-c2ccc3nn[nH]c3c2)ncc1C(F)(F)F ZINC001241940577 781194809 /nfs/dbraw/zinc/19/48/09/781194809.db2.gz NTLFHQUGKVLCRE-UHFFFAOYSA-N 0 1 289.220 2.910 20 30 CFEDMN N#Cc1cc(-c2ccc3[nH]nnc3c2)ncc1C(F)(F)F ZINC001241940577 781194813 /nfs/dbraw/zinc/19/48/13/781194813.db2.gz NTLFHQUGKVLCRE-UHFFFAOYSA-N 0 1 289.220 2.910 20 30 CFEDMN N#CCc1ccc(-c2ccc3[nH]nnc3c2)c(F)c1 ZINC001241942841 781198861 /nfs/dbraw/zinc/19/88/61/781198861.db2.gz YUWARTONAMCMSR-UHFFFAOYSA-N 0 1 252.252 2.830 20 30 CFEDMN N#CCc1ccc(-c2ccc3nn[nH]c3c2)c(F)c1 ZINC001241942841 781198862 /nfs/dbraw/zinc/19/88/62/781198862.db2.gz YUWARTONAMCMSR-UHFFFAOYSA-N 0 1 252.252 2.830 20 30 CFEDMN N#Cc1nc(-c2ccc(OCC3CC3)nc2)cc2[nH]cnc21 ZINC001242212639 781330023 /nfs/dbraw/zinc/33/00/23/781330023.db2.gz LKZAMHDGVYZHJS-UHFFFAOYSA-N 0 1 291.314 2.680 20 30 CFEDMN C=CCNC(=O)c1cccnc1-c1ccc(F)cc1O ZINC001242218304 781333030 /nfs/dbraw/zinc/33/30/30/781333030.db2.gz RGYWPMAKBZTARG-UHFFFAOYSA-N 0 1 272.279 2.509 20 30 CFEDMN C=C(Cl)CN1CC[C@@H]2CN(C(=O)C=C(C)C)CC[C@@H]21 ZINC001036626708 781344907 /nfs/dbraw/zinc/34/49/07/781344907.db2.gz BNFBUJLHVHWFCR-KGLIPLIRSA-N 0 1 282.815 2.628 20 30 CFEDMN Cc1cc2[nH]ncc2cc1-c1cnc(C#N)c(F)c1 ZINC001242282186 781364249 /nfs/dbraw/zinc/36/42/49/781364249.db2.gz QTRQUDKACNJVMP-UHFFFAOYSA-N 0 1 252.252 2.944 20 30 CFEDMN C=C(Cl)CN1CC[C@@H]2CN(C(=O)C3CC=CC3)CC[C@@H]21 ZINC001036672559 781395476 /nfs/dbraw/zinc/39/54/76/781395476.db2.gz CIGVNNABLKTMDI-CABCVRRESA-N 0 1 294.826 2.628 20 30 CFEDMN C=C(Cl)CN1CC[C@@H]2CN(C(=O)C3CC=CC3)CC[C@H]21 ZINC001036672561 781395685 /nfs/dbraw/zinc/39/56/85/781395685.db2.gz CIGVNNABLKTMDI-HUUCEWRRSA-N 0 1 294.826 2.628 20 30 CFEDMN N#Cc1ccc(CN2CCC[C@@H](CF)C2)cc1F ZINC000711428946 781432745 /nfs/dbraw/zinc/43/27/45/781432745.db2.gz BZBSYLSLYJHMRM-LBPRGKRZSA-N 0 1 250.292 2.879 20 30 CFEDMN COc1ncc(Cl)cc1-c1cc2[nH]cnc2c(C#N)n1 ZINC001242503806 781550876 /nfs/dbraw/zinc/55/08/76/781550876.db2.gz DWBPKHIJHXIVAL-UHFFFAOYSA-N 0 1 285.694 2.554 20 30 CFEDMN C=C[C@@](C)(CC)C(=O)NC[C@]1(C)CN(CCCC)CCO1 ZINC001108189783 781559947 /nfs/dbraw/zinc/55/99/47/781559947.db2.gz KXMQMJQYHJILIZ-DLBZAZTESA-N 0 1 296.455 2.596 20 30 CFEDMN CCCNc1ccnc(-c2ccc(O)c(C#N)c2)n1 ZINC001242562320 781600482 /nfs/dbraw/zinc/60/04/82/781600482.db2.gz SAQDFBKYXLGERI-UHFFFAOYSA-N 0 1 254.293 2.543 20 30 CFEDMN CC(C)(C)OC(=O)c1ccnc(-c2ccc(O)c(C#N)c2)n1 ZINC001242563476 781602353 /nfs/dbraw/zinc/60/23/53/781602353.db2.gz YJLIOVWBZDHCTJ-UHFFFAOYSA-N 0 1 297.314 2.676 20 30 CFEDMN N#Cc1c[nH]c2ccnc(-c3cccc4c3OCO4)c12 ZINC001242585604 781618882 /nfs/dbraw/zinc/61/88/82/781618882.db2.gz ABOGXESBQGUQOT-UHFFFAOYSA-N 0 1 263.256 2.830 20 30 CFEDMN CC#CCN1C[C@@H](C)[C@H](NC(=O)c2ccc3occc3c2)C1 ZINC001079746446 781619977 /nfs/dbraw/zinc/61/99/77/781619977.db2.gz SOFRNONCKYYGAY-CZUORRHYSA-N 0 1 296.370 2.506 20 30 CFEDMN C=CCN1C[C@@H](C)[C@H](NC(=O)c2c(C)oc3ccccc32)C1 ZINC001079758455 781620025 /nfs/dbraw/zinc/62/00/25/781620025.db2.gz IXZJFNRBWLCEMX-IUODEOHRSA-N 0 1 298.386 2.977 20 30 CFEDMN CC#CCN1C[C@@H](C)[C@H](NC(=O)C2(C)CCCCCC2)C1 ZINC001079869937 781624003 /nfs/dbraw/zinc/62/40/03/781624003.db2.gz LJIUDLKSSXCWOM-HZPDHXFCSA-N 0 1 290.451 2.807 20 30 CFEDMN C=CC[N@@H+]1C[C@@H](C)[C@H](NC(=O)[C@H]2CCC=CCCC2)C1 ZINC001079947477 781627867 /nfs/dbraw/zinc/62/78/67/781627867.db2.gz AUFIJPQJCBOXPT-OWCLPIDISA-N 0 1 276.424 2.745 20 30 CFEDMN C#CCN1C[C@@H](C)[C@H](NC(=O)c2ccc(CCCC)cc2)C1 ZINC001080081620 781634930 /nfs/dbraw/zinc/63/49/30/781634930.db2.gz RIJWDWRLDYVCSP-CRAIPNDOSA-N 0 1 298.430 2.713 20 30 CFEDMN C=CCN1C[C@@H](C)[C@H](NC(=O)c2cc3ccc(C)cc3[nH]2)C1 ZINC001080215389 781641164 /nfs/dbraw/zinc/64/11/64/781641164.db2.gz LGXVBMZANAIHDX-CXAGYDPISA-N 0 1 297.402 2.712 20 30 CFEDMN C=CCN1C[C@@H](C)[C@H](NC(=O)c2cc(C)c(C)s2)C1 ZINC001080910593 781684810 /nfs/dbraw/zinc/68/48/10/781684810.db2.gz HPXCVQUUFTYXPZ-DGCLKSJQSA-N 0 1 278.421 2.601 20 30 CFEDMN CC#CCN1C[C@@H](C)[C@H](NC(=O)[C@H]2CCCC(C)(C)C2)C1 ZINC001081014054 781689075 /nfs/dbraw/zinc/68/90/75/781689075.db2.gz QBHSASBVOAGMSF-OWCLPIDISA-N 0 1 290.451 2.663 20 30 CFEDMN C=C[C@H](C)[C@@H](C)C(=O)NCCCNC/C(Cl)=C\Cl ZINC001164222969 781696262 /nfs/dbraw/zinc/69/62/62/781696262.db2.gz OYVLKAZALMBPRJ-UKOINSAQSA-N 0 1 293.238 2.860 20 30 CFEDMN CC[C@@H](C)C(=O)N1C[C@@H](C)[C@H](NCc2ccccc2C#N)C1 ZINC001082428378 781728398 /nfs/dbraw/zinc/72/83/98/781728398.db2.gz PAZAMCOZIPMRKK-CKEIUWERSA-N 0 1 299.418 2.541 20 30 CFEDMN C[C@@H]1CC(=O)C=C(c2nccc3[nH]cc(C#N)c32)C1 ZINC001242738588 781731216 /nfs/dbraw/zinc/73/12/16/781731216.db2.gz VZNWPGCVPUPKIR-VIFPVBQESA-N 0 1 251.289 2.817 20 30 CFEDMN C[C@H]1CC(=O)C=C(c2nccc3[nH]cc(C#N)c32)C1 ZINC001242738587 781731474 /nfs/dbraw/zinc/73/14/74/781731474.db2.gz VZNWPGCVPUPKIR-SECBINFHSA-N 0 1 251.289 2.817 20 30 CFEDMN C=C(Cl)CN[C@@H]1CN(C(=O)[C@@H]2C[C@H]2C(C)(C)C)C[C@H]1C ZINC001082638007 781735700 /nfs/dbraw/zinc/73/57/00/781735700.db2.gz QEMPBBUPKDZTPQ-FMKGYKFTSA-N 0 1 298.858 2.858 20 30 CFEDMN C#CCN1CC(C)(C)CC[C@H]1CNC(=O)C[C@H]1C=CCC1 ZINC001098887587 781748648 /nfs/dbraw/zinc/74/86/48/781748648.db2.gz GGNJHKCIWJMGMK-HOTGVXAUSA-N 0 1 288.435 2.583 20 30 CFEDMN COc1nc(C)nc(-c2cccc(O)c2Cl)c1C#N ZINC001242796954 781764471 /nfs/dbraw/zinc/76/44/71/781764471.db2.gz DDRJAVZCAXQILW-UHFFFAOYSA-N 0 1 275.695 2.691 20 30 CFEDMN C=C(C)CN1CC[C@@H]2CN(C(=O)c3cc(C)oc3C)[C@@H]2C1 ZINC001084181872 781778073 /nfs/dbraw/zinc/77/80/73/781778073.db2.gz GTUIUSJXHZZDCC-GDBMZVCRSA-N 0 1 288.391 2.619 20 30 CFEDMN C=C(C)C[N@@H+]1CC[C@@H]2CN(C(=O)c3ccc(CC)o3)[C@@H]2C1 ZINC001084458663 781794256 /nfs/dbraw/zinc/79/42/56/781794256.db2.gz FHXLILYXMHZPFZ-UKRRQHHQSA-N 0 1 288.391 2.564 20 30 CFEDMN C=C(C)CN1CC[C@@H]2CN(C(=O)c3ccc(CC)o3)[C@@H]2C1 ZINC001084458663 781794262 /nfs/dbraw/zinc/79/42/62/781794262.db2.gz FHXLILYXMHZPFZ-UKRRQHHQSA-N 0 1 288.391 2.564 20 30 CFEDMN C=CCN1CC[C@@H]2CN(C(=O)C[C@H]3CCCC3(F)F)[C@@H]2C1 ZINC001084608001 781809741 /nfs/dbraw/zinc/80/97/41/781809741.db2.gz RNZWMBBLIPMSFJ-MGPQQGTHSA-N 0 1 298.377 2.531 20 30 CFEDMN C=CCN1CC[C@@H]2CN(C(=O)Cc3cc(C)ccc3C)[C@@H]2C1 ZINC001084630441 781810681 /nfs/dbraw/zinc/81/06/81/781810681.db2.gz GVTWKINICKGMJX-SJLPKXTDSA-N 0 1 298.430 2.565 20 30 CFEDMN C=C[C@](C)(CC)C(=O)N1C[C@H]2CCN(CC(=C)C)C[C@H]21 ZINC001084635369 781813144 /nfs/dbraw/zinc/81/31/44/781813144.db2.gz YBCVMFDSGQMUPD-BFYDXBDKSA-N 0 1 276.424 2.698 20 30 CFEDMN C=CCN1CC[C@@H]2CN(C(=O)[C@@H](C)c3cccc(C)c3)[C@@H]2C1 ZINC001084689652 781821078 /nfs/dbraw/zinc/82/10/78/781821078.db2.gz NCCYKUQARWMNGG-CGTJXYLNSA-N 0 1 298.430 2.817 20 30 CFEDMN C=CCN1CC[C@@H]2CN(C(=O)c3ccc4cc[nH]c4c3)[C@@H]2C1 ZINC001084686826 781821573 /nfs/dbraw/zinc/82/15/73/781821573.db2.gz XQIBUUGBVOQXSI-NVXWUHKLSA-N 0 1 295.386 2.500 20 30 CFEDMN C=C(C)CN1CC[C@@H]2CN(C(=O)C3(F)CCCCC3)[C@@H]2C1 ZINC001084756484 781830677 /nfs/dbraw/zinc/83/06/77/781830677.db2.gz YVWZHTRUYWXVHI-HUUCEWRRSA-N 0 1 294.414 2.768 20 30 CFEDMN C=C(C)CN1C(=O)CC[C@@H]2[C@H]1CCN2Cc1ccc(C)cn1 ZINC001273231392 781833402 /nfs/dbraw/zinc/83/34/02/781833402.db2.gz OUMOEYCJRPLQHB-IAGOWNOFSA-N 0 1 299.418 2.531 20 30 CFEDMN C=CCN1CC[C@@H]2CN(C(=O)c3c(C)cc(C)cc3C)[C@@H]2C1 ZINC001084815723 781842577 /nfs/dbraw/zinc/84/25/77/781842577.db2.gz UHHPOAAQLZWVBH-IAGOWNOFSA-N 0 1 298.430 2.944 20 30 CFEDMN C=CCN1CC[C@@H]2CN(C(=O)C3CCC(C)(C)CC3)[C@@H]2C1 ZINC001084859180 781847668 /nfs/dbraw/zinc/84/76/68/781847668.db2.gz JIPJPCYLDPJXJG-HZPDHXFCSA-N 0 1 290.451 2.922 20 30 CFEDMN C=CCN1CC[C@@H]2CN(C(=O)C3CC(C(C)(C)C)C3)[C@@H]2C1 ZINC001084862325 781849648 /nfs/dbraw/zinc/84/96/48/781849648.db2.gz FVDSPFDHKDCFRW-PRLABOORSA-N 0 1 290.451 2.777 20 30 CFEDMN N#Cc1ccc(CN[C@H]2CCc3ccccc3NC2=O)s1 ZINC000594511201 349435745 /nfs/dbraw/zinc/43/57/45/349435745.db2.gz RWPAOXNPFYJFLM-HNNXBMFYSA-N 0 1 297.383 2.663 20 30 CFEDMN Cn1ncc(C2CC2)c1CNCc1ccc(C#N)c(F)c1 ZINC000594958743 349529297 /nfs/dbraw/zinc/52/92/97/349529297.db2.gz OVVUXPUFOLBZFE-UHFFFAOYSA-N 0 1 284.338 2.598 20 30 CFEDMN CCOC(=O)CN(CCc1ccc(C#N)cc1)C(C)(C)C ZINC000595351781 349609865 /nfs/dbraw/zinc/60/98/65/349609865.db2.gz HMAFWPABLCKRFL-UHFFFAOYSA-N 0 1 288.391 2.764 20 30 CFEDMN CCN1CCN([C@H](C#N)c2ccc(Cl)cc2)C[C@H]1C ZINC000595387157 349613228 /nfs/dbraw/zinc/61/32/28/349613228.db2.gz ADBIRWOTQPBKSM-IUODEOHRSA-N 0 1 277.799 2.931 20 30 CFEDMN N#C[C@H](c1ccc(Cl)cc1)N1CCc2cn[nH]c2C1 ZINC000595393843 349615063 /nfs/dbraw/zinc/61/50/63/349615063.db2.gz BWNXKTYKGTUBOG-CQSZACIVSA-N 0 1 272.739 2.686 20 30 CFEDMN CC[C@H]1CN(CCc2ccc(C#N)cc2)[C@H](C)CO1 ZINC000595561035 349659704 /nfs/dbraw/zinc/65/97/04/349659704.db2.gz YQLYLLDOBWLDHX-CJNGLKHVSA-N 0 1 258.365 2.600 20 30 CFEDMN CC[C@@H]1CN(CCc2ccc(C#N)cc2)[C@@H](C)CO1 ZINC000595561037 349659754 /nfs/dbraw/zinc/65/97/54/349659754.db2.gz YQLYLLDOBWLDHX-XJKSGUPXSA-N 0 1 258.365 2.600 20 30 CFEDMN N#Cc1cccc(CN(C2CC2)C2(CO)CCC2)c1F ZINC000595534216 349653319 /nfs/dbraw/zinc/65/33/19/349653319.db2.gz QZCYWZXYWHSLKT-UHFFFAOYSA-N 0 1 274.339 2.577 20 30 CFEDMN N#Cc1ccc(F)c(CN(C2CC2)C2(CO)CCC2)c1 ZINC000595541707 349654913 /nfs/dbraw/zinc/65/49/13/349654913.db2.gz URRAZYZUVQKVTO-UHFFFAOYSA-N 0 1 274.339 2.577 20 30 CFEDMN CC(C)N(C(=O)[C@@H](C)N1CCC[C@@H](CC#N)C1)C(C)C ZINC000595610978 349674835 /nfs/dbraw/zinc/67/48/35/349674835.db2.gz FHYQRLFAMCHBTQ-CABCVRRESA-N 0 1 279.428 2.646 20 30 CFEDMN CC(=O)Nc1cccc(CN2CCC[C@H](CC#N)C2)c1 ZINC000595617500 349678919 /nfs/dbraw/zinc/67/89/19/349678919.db2.gz ZZTKJXAUZGETAI-CQSZACIVSA-N 0 1 271.364 2.771 20 30 CFEDMN C=CCN(Cc1ccc(OC)c([N+](=O)[O-])c1)[C@H](C)COC ZINC000595647897 349689355 /nfs/dbraw/zinc/68/93/55/349689355.db2.gz RXGDXPNHUJJZNB-GFCCVEGCSA-N 0 1 294.351 2.626 20 30 CFEDMN C=CCN(Cc1ccc(C(=O)OC)c(F)c1)[C@@H](C)COC ZINC000595646911 349689367 /nfs/dbraw/zinc/68/93/67/349689367.db2.gz MCPHXNXNHJCMTP-LBPRGKRZSA-N 0 1 295.354 2.635 20 30 CFEDMN C[C@@H](O)[C@H]1CCCN1Cc1ccc(C#N)cc1OC(F)F ZINC000595766557 349728373 /nfs/dbraw/zinc/72/83/73/349728373.db2.gz PKDFPTRLSWAETL-ZWNOBZJWSA-N 0 1 296.317 2.505 20 30 CFEDMN N#Cc1cc(Cl)ccc1CN[C@@H]1C[C@H](O)C12CCC2 ZINC000595781500 349731563 /nfs/dbraw/zinc/73/15/63/349731563.db2.gz LGLHXQGKRWOKRV-KGLIPLIRSA-N 0 1 276.767 2.605 20 30 CFEDMN COc1cncc(/C=C\CCN2CC[C@](C)(C#N)C2)c1 ZINC000595841881 349752444 /nfs/dbraw/zinc/75/24/44/349752444.db2.gz OYYKWMRJRSEVPX-OICCZTGUSA-N 0 1 271.364 2.729 20 30 CFEDMN COCC[C@H](c1ccccc1)N1CC[C@](C)(C#N)C1 ZINC000595842864 349753155 /nfs/dbraw/zinc/75/31/55/349753155.db2.gz HWORXODKKZCMNZ-HZPDHXFCSA-N 0 1 258.365 3.000 20 30 CFEDMN CCc1cnc(NC(=O)c2c[nH]nc2[C@@H]2CCOC2)s1 ZINC000330321789 529656613 /nfs/dbraw/zinc/65/66/13/529656613.db2.gz GHNQLJDMBULZAC-MRVPVSSYSA-N 0 1 292.364 2.569 20 30 CFEDMN N#Cc1cc(NC(=O)[C@@H](C2CC2)N2CCCC2)ccc1F ZINC000126787564 187262113 /nfs/dbraw/zinc/26/21/13/187262113.db2.gz WNNYMNLXTFQMFR-OAHLLOKOSA-N 0 1 287.338 2.510 20 30 CFEDMN N#Cc1cc2cccnc2nc1N[C@@H]1CCCc2cn[nH]c21 ZINC000596167926 349815455 /nfs/dbraw/zinc/81/54/55/349815455.db2.gz IWVRCFMNNNWPOQ-CYBMUJFWSA-N 0 1 290.330 2.714 20 30 CFEDMN CCc1ncc(CN[C@@H](C)c2ccc(C#N)cc2)cn1 ZINC000414257666 529756397 /nfs/dbraw/zinc/75/63/97/529756397.db2.gz FMWPXAQDWOXDPP-LBPRGKRZSA-N 0 1 266.348 2.761 20 30 CFEDMN C=CCC(F)(F)C(=O)N[C@@H](C)c1n[nH]c([C@H](C)CC)n1 ZINC000295037357 199313856 /nfs/dbraw/zinc/31/38/56/199313856.db2.gz YALGHMQSDYOKSL-BDAKNGLRSA-N 0 1 286.326 2.707 20 30 CFEDMN CC(C)(C)N1CC[C@H]1CNc1ncc(C#N)cc1Cl ZINC000596305803 349858272 /nfs/dbraw/zinc/85/82/72/349858272.db2.gz ANIYHAVYUKITEL-NSHDSACASA-N 0 1 278.787 2.891 20 30 CFEDMN CN(Cc1cccc(C#N)c1)C(=O)c1cccc2[nH]cnc21 ZINC000157883740 529993261 /nfs/dbraw/zinc/99/32/61/529993261.db2.gz JRNUWZXIQVIJLS-UHFFFAOYSA-N 0 1 290.326 2.707 20 30 CFEDMN Cc1cc(C(=O)N2CCC[C@H]2[C@@H](C#N)c2ccccc2)n[nH]1 ZINC000075297914 347065619 /nfs/dbraw/zinc/06/56/19/347065619.db2.gz NENLSPQCIOPCDH-HOCLYGCPSA-N 0 1 294.358 2.630 20 30 CFEDMN Cc1cc(C(=O)N2CCC[C@@H]2[C@H](C#N)c2ccccc2)n[nH]1 ZINC000075297915 347065690 /nfs/dbraw/zinc/06/56/90/347065690.db2.gz NENLSPQCIOPCDH-GDBMZVCRSA-N 0 1 294.358 2.630 20 30 CFEDMN N#Cc1cccc(-c2nnc(CN3CCCCCC3)o2)c1 ZINC000075620392 347088446 /nfs/dbraw/zinc/08/84/46/347088446.db2.gz TXRFDMBITGJHME-UHFFFAOYSA-N 0 1 282.347 2.984 20 30 CFEDMN C=CCOc1ccc(CN2CC(CCOC)C2)cc1OC ZINC000668474236 539518093 /nfs/dbraw/zinc/51/80/93/539518093.db2.gz RLVUDFLQIHSYEY-UHFFFAOYSA-N 0 1 291.391 2.728 20 30 CFEDMN Cc1nsc(NC[C@H](c2ccco2)N(C)C)c1C#N ZINC000285760256 282441626 /nfs/dbraw/zinc/44/16/26/282441626.db2.gz VJHJQDKWHVBIRI-LLVKDONJSA-N 0 1 276.365 2.631 20 30 CFEDMN CCC#C[C@@H](C)N1CCc2c(cccc2NC(C)=O)C1 ZINC000677048328 539533151 /nfs/dbraw/zinc/53/31/51/539533151.db2.gz VXMBSEGSRYWXAP-CYBMUJFWSA-N 0 1 270.376 2.805 20 30 CFEDMN C=C(C)CN(CC)C(=O)NC[C@@H](c1ccsc1)N(C)C ZINC000046347469 346426044 /nfs/dbraw/zinc/42/60/44/346426044.db2.gz BNKOHORENJGUAO-AWEZNQCLSA-N 0 1 295.452 2.958 20 30 CFEDMN CCC1CCN([C@H](C)C(=O)NC2(C#N)CCCCC2)CC1 ZINC000052279729 346519698 /nfs/dbraw/zinc/51/96/98/346519698.db2.gz ZAAUHMWLVKQYMT-CQSZACIVSA-N 0 1 291.439 2.840 20 30 CFEDMN Cc1csc(C(C#N)C(=O)c2ccc3c(c2)COC3)n1 ZINC000050204993 346490949 /nfs/dbraw/zinc/49/09/49/346490949.db2.gz WLFMTBZKQVHZRR-CYBMUJFWSA-N 0 1 284.340 2.972 20 30 CFEDMN C=CCNC(=O)CN(CC)[C@@H](C)c1ccc(F)cc1 ZINC000053087968 346537806 /nfs/dbraw/zinc/53/78/06/346537806.db2.gz WKDHRGWPIJQPAC-LBPRGKRZSA-N 0 1 264.344 2.511 20 30 CFEDMN CC(C)C1CCN([C@H](C)C(=O)N[C@@](C)(C#N)C(C)C)CC1 ZINC000075833779 347102147 /nfs/dbraw/zinc/10/21/47/347102147.db2.gz UTIFJXSUWYBCIE-PBHICJAKSA-N 0 1 293.455 2.797 20 30 CFEDMN O=C(N[C@@H]1CCc2nc[nH]c2C1)[C@H]1Cc2ccccc21 ZINC000328938116 539550712 /nfs/dbraw/zinc/55/07/12/539550712.db2.gz JYWWPYNVFIAYKN-YPMHNXCESA-N 0 1 267.332 2.563 20 30 CFEDMN C=CCN(CC=C)C(=O)CN(C)C[C@@H](C)c1ccccc1 ZINC000066854463 346782335 /nfs/dbraw/zinc/78/23/35/346782335.db2.gz GRZBYOMDBULOOZ-MRXNPFEDSA-N 0 1 286.419 2.923 20 30 CFEDMN N#Cc1cccc(NC(=O)CNC2(c3ccccc3)CC2)c1 ZINC000077378427 347190163 /nfs/dbraw/zinc/19/01/63/347190163.db2.gz PYEVOIIRNHOWGQ-UHFFFAOYSA-N 0 1 291.354 2.776 20 30 CFEDMN N#CCCN1CCN(Cc2ccc3ccccc3c2)CC1 ZINC000078527299 347259801 /nfs/dbraw/zinc/25/98/01/347259801.db2.gz XJTGLSXHAXQOKZ-UHFFFAOYSA-N 0 1 279.387 2.871 20 30 CFEDMN COc1csc(C(=O)C(C#N)c2cc(C)nc(C)n2)c1 ZINC000080255411 347352031 /nfs/dbraw/zinc/35/20/31/347352031.db2.gz PJXFQVWUSJGJMA-NSHDSACASA-N 0 1 287.344 2.654 20 30 CFEDMN N#Cc1ccc(F)c(CN2CCC[C@@H](c3ncc[nH]3)C2)c1 ZINC000080958581 347388617 /nfs/dbraw/zinc/38/86/17/347388617.db2.gz CXCQAGCZFRNGPA-CYBMUJFWSA-N 0 1 284.338 2.800 20 30 CFEDMN Cc1cc([C@@H](C#N)C(=O)c2cc(C#N)cs2)nc(C)n1 ZINC000083938174 347455061 /nfs/dbraw/zinc/45/50/61/347455061.db2.gz OWWRUOASQVZCTP-LLVKDONJSA-N 0 1 282.328 2.517 20 30 CFEDMN Cc1cc(C(C#N)C(=O)c2cc(C#N)cs2)nc(C)n1 ZINC000083938174 347455063 /nfs/dbraw/zinc/45/50/63/347455063.db2.gz OWWRUOASQVZCTP-LLVKDONJSA-N 0 1 282.328 2.517 20 30 CFEDMN C[C@H](O)[C@@H]1CCCN(CC#Cc2ccc(Cl)cc2)C1 ZINC000089928337 347531721 /nfs/dbraw/zinc/53/17/21/347531721.db2.gz HZEPJYHDUYRZLD-DZGCQCFKSA-N 0 1 277.795 2.784 20 30 CFEDMN N#Cc1ccc(OCCNCc2nc3c(s2)CCC3)cc1 ZINC000093077038 347660963 /nfs/dbraw/zinc/66/09/63/347660963.db2.gz RBWJWDWBPOTMHA-UHFFFAOYSA-N 0 1 299.399 2.672 20 30 CFEDMN C[C@H]([C@H]1Cc2ccccc2O1)N(C)Cc1ccc(C#N)o1 ZINC000092063816 347607942 /nfs/dbraw/zinc/60/79/42/347607942.db2.gz UOSJULYSSWSLRN-SJKOYZFVSA-N 0 1 282.343 2.975 20 30 CFEDMN N#CCCCN1CC[C@@H](Oc2ccc(C(F)(F)F)cn2)C1 ZINC000093319658 347668911 /nfs/dbraw/zinc/66/89/11/347668911.db2.gz LFJCMOIINVPTHW-GFCCVEGCSA-N 0 1 299.296 2.857 20 30 CFEDMN N#Cc1ccc(CN(CCO)[C@H]2CCc3ccccc32)o1 ZINC000093387708 347672361 /nfs/dbraw/zinc/67/23/61/347672361.db2.gz LUSJMUJBYHHEGF-KRWDZBQOSA-N 0 1 282.343 2.633 20 30 CFEDMN CS(=O)(=O)c1ccc(-c2nc3ccc(C#N)cc3[nH]2)cc1 ZINC000108283050 347739960 /nfs/dbraw/zinc/73/99/60/347739960.db2.gz MTRFTOKJOQQQTM-UHFFFAOYSA-N 0 1 297.339 2.505 20 30 CFEDMN C=CC1CCN(CC(=O)N[C@H]2CCCC[C@H]2C)CC1 ZINC000111259863 347753124 /nfs/dbraw/zinc/75/31/24/347753124.db2.gz BFLRDAUQOUJROD-HIFRSBDPSA-N 0 1 264.413 2.579 20 30 CFEDMN C=CCN1CCCN(C(=O)c2c[nH]c3ccccc23)CC1 ZINC000144058304 347939620 /nfs/dbraw/zinc/93/96/20/347939620.db2.gz MYMYLKSIGIVVFK-UHFFFAOYSA-N 0 1 283.375 2.502 20 30 CFEDMN C=CCN(CCCN1CCOCC1)Cc1ccccc1F ZINC000157761223 348002732 /nfs/dbraw/zinc/00/27/32/348002732.db2.gz ZSWQAWQQEQRCEU-UHFFFAOYSA-N 0 1 292.398 2.536 20 30 CFEDMN Cc1cccc2nc(CNC(=O)C3(C#N)CCCC3)[nH]c21 ZINC000160404884 348018364 /nfs/dbraw/zinc/01/83/64/348018364.db2.gz RIJDJENQVGIOBP-UHFFFAOYSA-N 0 1 282.347 2.572 20 30 CFEDMN Cc1nc2c(n1Cc1ccccc1C#N)CCCC2 ZINC000160710400 348019737 /nfs/dbraw/zinc/01/97/37/348019737.db2.gz ZIWYNSQHIOCEJI-UHFFFAOYSA-N 0 1 251.333 2.990 20 30 CFEDMN COC(=O)C[C@@H]1CCCC[N@H+]1Cc1ccc(C#N)cc1C ZINC000166225107 348041780 /nfs/dbraw/zinc/04/17/80/348041780.db2.gz SBROXNBZNZYBGF-INIZCTEOSA-N 0 1 286.375 2.784 20 30 CFEDMN C=C[C@H](CC(=O)NCc1cn[nH]c1C)c1ccccc1 ZINC000179117805 348121292 /nfs/dbraw/zinc/12/12/92/348121292.db2.gz SDPDGZFYXALSLN-CYBMUJFWSA-N 0 1 269.348 2.694 20 30 CFEDMN COC(=O)C[C@@H]1CCCCN1Cc1cccc(C#N)c1F ZINC000223528958 348175021 /nfs/dbraw/zinc/17/50/21/348175021.db2.gz ZIRYSWZXYJZHDK-AWEZNQCLSA-N 0 1 290.338 2.615 20 30 CFEDMN C[C@](CO)(NCc1ccc(C#N)s1)c1ccccc1 ZINC000226266390 348182650 /nfs/dbraw/zinc/18/26/50/348182650.db2.gz PXJXZDKGPVMXPJ-OAHLLOKOSA-N 0 1 272.373 2.617 20 30 CFEDMN COc1ccc(CNCc2ccc(C#N)o2)c(C)c1 ZINC000539523089 539606203 /nfs/dbraw/zinc/60/62/03/539606203.db2.gz ROCKSGAXDKESTK-UHFFFAOYSA-N 0 1 256.305 2.758 20 30 CFEDMN Cc1cc(C[C@@H](C)Nc2ncc(Cl)c(C)c2C#N)[nH]n1 ZINC000273339217 192118826 /nfs/dbraw/zinc/11/88/26/192118826.db2.gz NIMKQWOJPVODPD-MRVPVSSYSA-N 0 1 289.770 2.990 20 30 CFEDMN N#Cc1ccccc1C[N@@H+]1[C@@H]2CCCC[C@H]2C[C@H]1C(=O)[O-] ZINC000250084223 348285694 /nfs/dbraw/zinc/28/56/94/348285694.db2.gz NQUQTZOMPJAIMU-MAZHCROVSA-N 0 1 284.359 2.776 20 30 CFEDMN COc1ccccc1O[C@H]1CCCN(CCCC#N)C1 ZINC000286457456 348347496 /nfs/dbraw/zinc/34/74/96/348347496.db2.gz MWHHKGMUVVKUQA-AWEZNQCLSA-N 0 1 274.364 2.842 20 30 CFEDMN N#C[C@H]1CC[C@H](N2CCC3(C2)Oc2ccccc2O3)C1 ZINC000293545837 348362883 /nfs/dbraw/zinc/36/28/83/348362883.db2.gz KQPNZURFSQHCRE-STQMWFEESA-N 0 1 270.332 2.552 20 30 CFEDMN CC[C@H]1COC(C)(C)CN1CCOc1cccc(C#N)c1 ZINC000403908438 348588159 /nfs/dbraw/zinc/58/81/59/348588159.db2.gz XXDQTORTJLEBIY-HNNXBMFYSA-N 0 1 288.391 2.826 20 30 CFEDMN N#CCCCNc1nc(C2CCCCC2)ns1 ZINC000420610512 348608816 /nfs/dbraw/zinc/60/88/16/348608816.db2.gz KLXBQMGCDBWUDR-UHFFFAOYSA-N 0 1 250.371 2.723 20 30 CFEDMN C=CCN(Cc1ccc(N2CCCC2)nc1)C1CC1 ZINC000273459214 192159076 /nfs/dbraw/zinc/15/90/76/192159076.db2.gz HIHPMUIESLOTFL-UHFFFAOYSA-N 0 1 257.381 2.832 20 30 CFEDMN N#C[C@@H](c1ccc(F)cc1)N1CCN(CCCCF)CC1 ZINC000586769046 348749478 /nfs/dbraw/zinc/74/94/78/348749478.db2.gz OSIXTRPAXWBUDF-INIZCTEOSA-N 0 1 293.361 2.758 20 30 CFEDMN CC(C)[C@](C)(C#N)NC(=O)[C@@H](C)N1CCC2(CCC2)CC1 ZINC000586783392 348751359 /nfs/dbraw/zinc/75/13/59/348751359.db2.gz SLODUKGRAQRION-ZBFHGGJFSA-N 0 1 291.439 2.695 20 30 CFEDMN C[C@H](NCc1ccc(C#N)c(Cl)c1)c1ccc(=O)[nH]n1 ZINC000586794298 348753152 /nfs/dbraw/zinc/75/31/52/348753152.db2.gz SKFZKCNKVGKCNM-VIFPVBQESA-N 0 1 288.738 2.558 20 30 CFEDMN N#Cc1cccc(C(=O)Nc2cc(Cl)c(O)cc2F)n1 ZINC000589528105 348838145 /nfs/dbraw/zinc/83/81/45/348838145.db2.gz QCDOHVDUSVMZHQ-UHFFFAOYSA-N 0 1 291.669 2.704 20 30 CFEDMN CCN(CC)Cc1ccc(C(=O)N[C@@]2(C#N)CC2(C)C)o1 ZINC000589811607 348857980 /nfs/dbraw/zinc/85/79/80/348857980.db2.gz AQSHOFJKPIVNQD-MRXNPFEDSA-N 0 1 289.379 2.543 20 30 CFEDMN Cc1noc(C)c1CCNCc1cccc(F)c1C#N ZINC000589821382 348858457 /nfs/dbraw/zinc/85/84/57/348858457.db2.gz RDNTTXDCZAHKJJ-UHFFFAOYSA-N 0 1 273.311 2.635 20 30 CFEDMN CC(C)[C@](C)(C#N)NC(=O)[C@@H](C)N1CCC(C2CC2)CC1 ZINC000590008104 348868629 /nfs/dbraw/zinc/86/86/29/348868629.db2.gz DNIFEBKRHHVTNO-DYVFJYSZSA-N 0 1 291.439 2.551 20 30 CFEDMN C[C@@H](c1ccncc1)N1CC[C@H](Oc2ccc(C#N)cn2)C1 ZINC000590005503 348869027 /nfs/dbraw/zinc/86/90/27/348869027.db2.gz VRGAATJVXIEWCS-BBRMVZONSA-N 0 1 294.358 2.563 20 30 CFEDMN COC[C@@H]1CC[N@H+]1Cc1ccc(C(C)(C)C#N)cc1 ZINC000590184920 348884055 /nfs/dbraw/zinc/88/40/55/348884055.db2.gz FWUDXTVYXOIFKK-HNNXBMFYSA-N 0 1 258.365 2.708 20 30 CFEDMN CCn1cc([C@@H](C)NCc2ccc(C#N)cc2C)cn1 ZINC000590762826 348944491 /nfs/dbraw/zinc/94/44/91/348944491.db2.gz ZCDAAIQYGHTNSL-CYBMUJFWSA-N 0 1 268.364 2.934 20 30 CFEDMN CC[C@@H]1CN(C)CCN1C(=O)C[C@H](CC#N)c1ccccc1 ZINC000590522888 348907237 /nfs/dbraw/zinc/90/72/37/348907237.db2.gz DUTXBICDLJTQSN-DLBZAZTESA-N 0 1 299.418 2.627 20 30 CFEDMN CC[N@H+]1CCN(CCC2(C#N)CCCCC2)C[C@@H]1C ZINC000591021145 348979275 /nfs/dbraw/zinc/97/92/75/348979275.db2.gz SVJOTFVBKYEEGP-HNNXBMFYSA-N 0 1 263.429 2.877 20 30 CFEDMN O=C(NC1(c2nnc[nH]2)CCC1)[C@H]1CCC(F)(F)C1 ZINC000329353047 539696475 /nfs/dbraw/zinc/69/64/75/539696475.db2.gz UUIZOPXBKIJZQV-QMMMGPOBSA-N 0 1 270.283 2.576 20 30 CFEDMN CC(C)(C#N)CNC[C@H](O)COc1cccc2ccccc21 ZINC000591759198 349042178 /nfs/dbraw/zinc/04/21/78/349042178.db2.gz GKFKKKQUYDHULK-HNNXBMFYSA-N 0 1 298.386 2.719 20 30 CFEDMN N#C[C@@H](C(=O)c1cnc(C2CC2)s1)c1ccccn1 ZINC000591862702 349051894 /nfs/dbraw/zinc/05/18/94/349051894.db2.gz ZERUGEPILWQUOI-SNVBAGLBSA-N 0 1 269.329 2.906 20 30 CFEDMN N#CC(C(=O)c1cnc(C2CC2)s1)c1ccccn1 ZINC000591862702 349051896 /nfs/dbraw/zinc/05/18/96/349051896.db2.gz ZERUGEPILWQUOI-SNVBAGLBSA-N 0 1 269.329 2.906 20 30 CFEDMN CCc1ncc(CN[C@@H]2CCc3cc(C#N)ccc32)cn1 ZINC000591260497 349004028 /nfs/dbraw/zinc/00/40/28/349004028.db2.gz MOMPDTYOAZWULF-MRXNPFEDSA-N 0 1 278.359 2.688 20 30 CFEDMN CC[C@@H](C#N)S(=O)(=O)Nc1ccc(F)cc1SC ZINC000592353395 349106850 /nfs/dbraw/zinc/10/68/50/349106850.db2.gz DVZAAOYRXJHTEC-VIFPVBQESA-N 0 1 288.369 2.591 20 30 CFEDMN CCC1(CC)[C@H](OC)C[C@@H]1NCc1ccncc1C#N ZINC000592111917 349084262 /nfs/dbraw/zinc/08/42/62/349084262.db2.gz JWAJHHFIWFQZKU-LSDHHAIUSA-N 0 1 273.380 2.637 20 30 CFEDMN CCC[C@]1(COC)CCCN1Cc1ccncc1C#N ZINC000592116346 349085402 /nfs/dbraw/zinc/08/54/02/349085402.db2.gz JTXVQHWQCMYFOR-MRXNPFEDSA-N 0 1 273.380 2.734 20 30 CFEDMN CC1(C2CC2)CCN(Cc2ccncc2C#N)CC1 ZINC000592123340 349087003 /nfs/dbraw/zinc/08/70/03/349087003.db2.gz YOEATZMEGPJFCP-UHFFFAOYSA-N 0 1 255.365 2.965 20 30 CFEDMN N#Cc1ccc(SCc2nc([C@@H]3CCCN3)no2)cc1 ZINC000592356655 349107594 /nfs/dbraw/zinc/10/75/94/349107594.db2.gz CIZQDZYBLNVJKG-LBPRGKRZSA-N 0 1 286.360 2.658 20 30 CFEDMN N#CC[C@]1(O)CCN([C@H]2CCc3c2cccc3Cl)C1 ZINC000592151284 349091094 /nfs/dbraw/zinc/09/10/94/349091094.db2.gz LHSNLHCLEXGYJZ-GJZGRUSLSA-N 0 1 276.767 2.678 20 30 CFEDMN CC[C@@H](c1ccc(F)cc1)N1CC[C@@](O)(CC#N)C1 ZINC000592150522 349091828 /nfs/dbraw/zinc/09/18/28/349091828.db2.gz FVOVNMMJIWYNIS-GJZGRUSLSA-N 0 1 262.328 2.627 20 30 CFEDMN N#Cc1cccc(/C=C/c2nc([C@@H]3CCCN3)no2)c1 ZINC000592357168 349107859 /nfs/dbraw/zinc/10/78/59/349107859.db2.gz RSQNEXIRJIZBMA-YBJDMEARSA-N 0 1 266.304 2.536 20 30 CFEDMN CCOc1cccc(CNCc2ccc(CC#N)cc2)n1 ZINC000592371165 349110529 /nfs/dbraw/zinc/11/05/29/349110529.db2.gz YPBZHAOLQDNVMM-UHFFFAOYSA-N 0 1 281.359 2.836 20 30 CFEDMN C[C@@H](NCC1(CC#N)CC1)c1cc2n(n1)CCCC2 ZINC000592390481 349113640 /nfs/dbraw/zinc/11/36/40/349113640.db2.gz WXDOFBUKSAFMEL-GFCCVEGCSA-N 0 1 258.369 2.564 20 30 CFEDMN CCN(CCSC)Cc1ccc(C#N)cc1[N+](=O)[O-] ZINC000593033936 349190261 /nfs/dbraw/zinc/19/02/61/349190261.db2.gz BSGHFYMSSZKWIG-UHFFFAOYSA-N 0 1 279.365 2.651 20 30 CFEDMN N#Cc1ccc(CN2CC[C@]3(CC3(F)F)C2)c(F)c1 ZINC000593114962 349212436 /nfs/dbraw/zinc/21/24/36/349212436.db2.gz HDWNFKGRQOSHMT-ZDUSSCGKSA-N 0 1 266.266 2.928 20 30 CFEDMN CC[C@@H](C(=O)OC(C)(C)C)N(C)CCCCC#N ZINC000593124037 349216147 /nfs/dbraw/zinc/21/61/47/349216147.db2.gz QQQXNRKZCKIIPB-LBPRGKRZSA-N 0 1 254.374 2.732 20 30 CFEDMN CC[C@@H]1CN(CCCC2(C#N)CCOCC2)[C@H](C)CO1 ZINC000593063775 349199341 /nfs/dbraw/zinc/19/93/41/349199341.db2.gz WQNBVZYMPKYHGH-HUUCEWRRSA-N 0 1 280.412 2.586 20 30 CFEDMN CCN(Cc1cn2ccccc2c1C#N)[C@@H]1CCCOC1 ZINC000593069476 349201341 /nfs/dbraw/zinc/20/13/41/349201341.db2.gz SRHKJYHPAZAVCF-OAHLLOKOSA-N 0 1 283.375 2.812 20 30 CFEDMN CC[C@@H](C#N)C(=O)Nc1ccc2nc([C@H]3CCCO3)[nH]c2c1 ZINC000593424168 349267171 /nfs/dbraw/zinc/26/71/71/349267171.db2.gz BDZZGMLUCMKYMQ-IINYFYTJSA-N 0 1 298.346 2.903 20 30 CFEDMN CC[C@@H](C#N)C(=O)N1CCN(Cc2ccccc2)CC[C@H]1C ZINC000593500227 349285831 /nfs/dbraw/zinc/28/58/31/349285831.db2.gz MXENXOHKIAEXBA-WBVHZDCISA-N 0 1 299.418 2.659 20 30 CFEDMN N#Cc1ccc(CN2CCCO[C@H](c3ccccc3)C2)nc1 ZINC000593958732 349340071 /nfs/dbraw/zinc/34/00/71/349340071.db2.gz XUDWHGPRKRHUKX-SFHVURJKSA-N 0 1 293.370 2.917 20 30 CFEDMN N#C[C@@H]1CCC[C@H]1NCCc1noc2ccccc12 ZINC000593994860 349348468 /nfs/dbraw/zinc/34/84/68/349348468.db2.gz KJUZWWLCEXIZPJ-WCQYABFASA-N 0 1 255.321 2.652 20 30 CFEDMN CC(C)N(Cc1ccc(C#N)cc1)C(=O)[C@@H](C)N1CC(C)C1 ZINC000594255601 349400575 /nfs/dbraw/zinc/40/05/75/349400575.db2.gz HSIDKDPXXKIOES-OAHLLOKOSA-N 0 1 299.418 2.635 20 30 CFEDMN CC[C@@H](C)c1nc([C@H](C)NC(=O)CCCCC#N)n[nH]1 ZINC000594345583 349409464 /nfs/dbraw/zinc/40/94/64/349409464.db2.gz WHAHUKQWEAFRBF-MNOVXSKESA-N 0 1 277.372 2.579 20 30 CFEDMN CC[C@H](C)c1nc([C@H](C)NC(=O)CCCCC#N)n[nH]1 ZINC000594345584 349409830 /nfs/dbraw/zinc/40/98/30/349409830.db2.gz WHAHUKQWEAFRBF-QWRGUYRKSA-N 0 1 277.372 2.579 20 30 CFEDMN Cc1ncncc1[C@H](C)N[C@@H]1CCc2cc(C#N)ccc21 ZINC000594500343 349432024 /nfs/dbraw/zinc/43/20/24/349432024.db2.gz OXABDEKENIQTDP-YVEFUNNKSA-N 0 1 278.359 2.995 20 30 CFEDMN C[C@H]1OCCN(Cc2ccc(C3(C#N)CC3)cc2)[C@@H]1C ZINC000597011422 350015886 /nfs/dbraw/zinc/01/58/86/350015886.db2.gz WXXWZDAYWYKMQP-ZIAGYGMSSA-N 0 1 270.376 2.851 20 30 CFEDMN N#CC1(c2ccc(CN3CCOC[C@H]3C3CC3)cc2)CC1 ZINC000597011571 350016330 /nfs/dbraw/zinc/01/63/30/350016330.db2.gz CVEOHSLJQMVSLQ-KRWDZBQOSA-N 0 1 282.387 2.853 20 30 CFEDMN C[C@H](Cc1cnc[nH]1)C(=O)N(C)[C@H](C)c1cccc(C#N)c1 ZINC000594371120 349412080 /nfs/dbraw/zinc/41/20/80/349412080.db2.gz CNMGDUYVQQDFCU-CHWSQXEVSA-N 0 1 296.374 2.680 20 30 CFEDMN N#CC[C@@H]1CCCN(Cc2ccc(N3CCCC3)nc2)C1 ZINC000597173275 350043264 /nfs/dbraw/zinc/04/32/64/350043264.db2.gz HUQLVDHSMGPPKT-HNNXBMFYSA-N 0 1 284.407 2.807 20 30 CFEDMN Cc1cccc2ncc(CN3CCC[C@@H](CC#N)C3)n21 ZINC000597175265 350044010 /nfs/dbraw/zinc/04/40/10/350044010.db2.gz XKCYHBRKCAQHHQ-AWEZNQCLSA-N 0 1 268.364 2.768 20 30 CFEDMN N#CC[C@H]1CCCN(Cc2cccc3c2OCO3)C1 ZINC000597175270 350044332 /nfs/dbraw/zinc/04/43/32/350044332.db2.gz XLWONZCVTQSYCJ-GFCCVEGCSA-N 0 1 258.321 2.541 20 30 CFEDMN N#CC[C@H]1CCCN(Cc2cc3cccnc3o2)C1 ZINC000597176763 350044584 /nfs/dbraw/zinc/04/45/84/350044584.db2.gz JPVDBWRCDINWQF-GFCCVEGCSA-N 0 1 255.321 2.953 20 30 CFEDMN CC1(CN2CCN(c3ccsc3C#N)CC2)CC1 ZINC000597182485 350046278 /nfs/dbraw/zinc/04/62/78/350046278.db2.gz CFVAPEWHCSOMSD-UHFFFAOYSA-N 0 1 261.394 2.542 20 30 CFEDMN N#Cc1csc(CN2CCC(c3ccncn3)CC2)c1 ZINC000414469268 233259407 /nfs/dbraw/zinc/25/94/07/233259407.db2.gz ILTFBAKLYXVJMS-UHFFFAOYSA-N 0 1 284.388 2.789 20 30 CFEDMN C[C@H](CC#N)C(=O)Nc1cccc2c1OCC[C@@H]2N(C)C ZINC000597581802 350113223 /nfs/dbraw/zinc/11/32/23/350113223.db2.gz OZFJQXSBWYWMKE-RISCZKNCSA-N 0 1 287.363 2.560 20 30 CFEDMN C[C@H](CC#N)C(=O)Nc1cc(F)cc(Cl)c1O ZINC000597520877 350108206 /nfs/dbraw/zinc/10/82/06/350108206.db2.gz MIYXIZVXNAHGLO-ZCFIWIBFSA-N 0 1 256.664 2.673 20 30 CFEDMN CC(C)[C@H]1CN(C(=O)CC2(C#N)CCCCC2)CCN1C ZINC000597562769 350112072 /nfs/dbraw/zinc/11/20/72/350112072.db2.gz OXLBMAWDGDVMQR-OAHLLOKOSA-N 0 1 291.439 2.649 20 30 CFEDMN C[C@@H](C#N)C(=O)N(C)[C@@H](C)c1nc2ccc(Cl)cc2[nH]1 ZINC000597726967 350129174 /nfs/dbraw/zinc/12/91/74/350129174.db2.gz XTAFLMXFIHUXSP-IUCAKERBSA-N 0 1 290.754 2.895 20 30 CFEDMN C[C@@H]1CC[C@H](C)[N@@H+]1CC(=O)NC(C)(C)c1cccc(C#N)c1 ZINC000597951042 350161050 /nfs/dbraw/zinc/16/10/50/350161050.db2.gz VHHZGASBNZSOQS-OKILXGFUSA-N 0 1 299.418 2.782 20 30 CFEDMN C=CCCSCCNC(=O)c1cc2[nH]cnc2cc1F ZINC000597971284 350166150 /nfs/dbraw/zinc/16/61/50/350166150.db2.gz VSTOBRRHFVEMMZ-UHFFFAOYSA-N 0 1 293.367 2.741 20 30 CFEDMN C=CCN(Cc1ccc(Br)cn1)C1CC1 ZINC000271337108 191082712 /nfs/dbraw/zinc/08/27/12/191082712.db2.gz BOCPRLYAQJKZQO-UHFFFAOYSA-N 0 1 267.170 2.995 20 30 CFEDMN CCN(C(=O)c1cc(-c2ccc(F)cc2)[nH]n1)[C@H](C)C#N ZINC000598354499 350244941 /nfs/dbraw/zinc/24/49/41/350244941.db2.gz YKESNBZPNDKSEN-SNVBAGLBSA-N 0 1 286.310 2.590 20 30 CFEDMN CC(C)(C#N)C[C@@H](O)CN1CC(C)(C)[C@@H]1c1ccncc1 ZINC000598628968 350297611 /nfs/dbraw/zinc/29/76/11/350297611.db2.gz WDSXGTGDLRPJCW-CABCVRRESA-N 0 1 287.407 2.765 20 30 CFEDMN CC1(C)CC[C@H](CO)N(Cc2ccc(F)c(C#N)c2)C1 ZINC000598649349 350302442 /nfs/dbraw/zinc/30/24/42/350302442.db2.gz UITWXBUAAATFAG-CQSZACIVSA-N 0 1 276.355 2.680 20 30 CFEDMN CC(C)(C#N)C[C@@H](O)CN1CCO[C@H](C2CCCCC2)C1 ZINC000598604660 350292261 /nfs/dbraw/zinc/29/22/61/350292261.db2.gz OZWAKINUSTWLKD-CVEARBPZSA-N 0 1 294.439 2.568 20 30 CFEDMN Cc1ccc(F)c(CN(C)C[C@@H](O)CC(C)(C)C#N)c1 ZINC000598613241 350293383 /nfs/dbraw/zinc/29/33/83/350293383.db2.gz IXTLYGQQAUDSTL-AWEZNQCLSA-N 0 1 278.371 2.867 20 30 CFEDMN CC(C)(C#N)C[C@@H](O)CN1CCc2cc(Cl)ccc2C1 ZINC000598614830 350294136 /nfs/dbraw/zinc/29/41/36/350294136.db2.gz FEQSCJIXPMWFIE-OAHLLOKOSA-N 0 1 292.810 2.999 20 30 CFEDMN Cc1ccc(CN2CCc3ccccc3[C@@H]2CO)cc1C#N ZINC000599342370 350418373 /nfs/dbraw/zinc/41/83/73/350418373.db2.gz PIQWWJHBOBTDCA-IBGZPJMESA-N 0 1 292.382 2.958 20 30 CFEDMN Cc1ccc(CN2CCC(C)(C#N)CC2)cc1C#N ZINC000599367097 350425659 /nfs/dbraw/zinc/42/56/59/350425659.db2.gz VGDOPVIPBXIBQZ-UHFFFAOYSA-N 0 1 253.349 2.992 20 30 CFEDMN Cc1ccc(CN[C@@H](CO)c2ccsc2)cc1C#N ZINC000599372931 350426202 /nfs/dbraw/zinc/42/62/02/350426202.db2.gz PMNVVEWBUHCSJO-HNNXBMFYSA-N 0 1 272.373 2.751 20 30 CFEDMN COCC1=CCN(Cc2ccc(C)c(C#N)c2)CC1 ZINC000599371989 350426333 /nfs/dbraw/zinc/42/63/33/350426333.db2.gz UXKJDAABFCJFKR-UHFFFAOYSA-N 0 1 256.349 2.645 20 30 CFEDMN Cc1ccc(C[N@@H+](C)CCCNC(=O)C2CCC2)cc1C#N ZINC000599386212 350428622 /nfs/dbraw/zinc/42/86/22/350428622.db2.gz SDLKPIIHHREYMX-UHFFFAOYSA-N 0 1 299.418 2.605 20 30 CFEDMN Cc1ccc(C[N@@H+]2CC[C@H](C)C[C@@H]2[C@@H](C)O)cc1C#N ZINC000599383899 350428797 /nfs/dbraw/zinc/42/87/97/350428797.db2.gz HOZVVKUBDUTXPH-DXCKQFNASA-N 0 1 272.392 2.848 20 30 CFEDMN N#Cc1cc(CN2CCCC(F)(F)CC2)ccn1 ZINC000599552985 350455171 /nfs/dbraw/zinc/45/51/71/350455171.db2.gz PHZBHIIAJBFFBJ-UHFFFAOYSA-N 0 1 251.280 2.574 20 30 CFEDMN N#Cc1cccc(NC(=O)CN2CCCC3(CC3)CC2)c1 ZINC000599673276 350478847 /nfs/dbraw/zinc/47/88/47/350478847.db2.gz NSHOPHNUJSTLFB-UHFFFAOYSA-N 0 1 283.375 2.763 20 30 CFEDMN C=C(C)CN(CC)Cc1cccc(C(=O)OCC)n1 ZINC000600107793 350510580 /nfs/dbraw/zinc/51/05/80/350510580.db2.gz XZGUEQXQDUDBJC-UHFFFAOYSA-N 0 1 262.353 2.656 20 30 CFEDMN C[C@H](C#N)CNCCc1cccc(C(F)(F)F)c1 ZINC000600145947 350520361 /nfs/dbraw/zinc/52/03/61/350520361.db2.gz SINWJMDUUCWEMM-SNVBAGLBSA-N 0 1 256.271 2.997 20 30 CFEDMN Cc1n[nH]c(C)c1CN1CCc2c(CC#N)cccc2C1 ZINC000600215143 350541949 /nfs/dbraw/zinc/54/19/49/350541949.db2.gz ZJAQZVSRWXVOSV-UHFFFAOYSA-N 0 1 280.375 2.651 20 30 CFEDMN CCC1(CO)CCN(Cc2ccc(C#N)s2)CC1 ZINC000129823033 187456415 /nfs/dbraw/zinc/45/64/15/187456415.db2.gz JWCUVIXONATOCV-UHFFFAOYSA-N 0 1 264.394 2.604 20 30 CFEDMN N#Cc1cc([N+](=O)[O-])ccc1NCc1ccc2nc[nH]c2c1 ZINC000600852543 350619923 /nfs/dbraw/zinc/61/99/23/350619923.db2.gz PHJNDNQWXSZUED-UHFFFAOYSA-N 0 1 293.286 2.955 20 30 CFEDMN N#Cc1ccc(-c2ccc([C@H]3COCCN3)cc2)s1 ZINC000600775645 350609114 /nfs/dbraw/zinc/60/91/14/350609114.db2.gz KDIZAFWPTHINPW-CQSZACIVSA-N 0 1 270.357 2.948 20 30 CFEDMN N#C[C@@H](Sc1nc(-c2ccccc2)n[nH]1)C1CC1 ZINC000601071912 350658071 /nfs/dbraw/zinc/65/80/71/350658071.db2.gz CGVPEEDBACHBPU-LLVKDONJSA-N 0 1 256.334 2.866 20 30 CFEDMN N#CCC[C@@H](NCc1ccc(=O)[nH]c1)c1ccccc1 ZINC000601114243 350671304 /nfs/dbraw/zinc/67/13/04/350671304.db2.gz NUXVAACOQYSVNU-OAHLLOKOSA-N 0 1 267.332 2.922 20 30 CFEDMN C[C@H](NCc1ccc(C2(C#N)CC2)cc1)[C@@H](O)C(F)(F)F ZINC000601152533 350682945 /nfs/dbraw/zinc/68/29/45/350682945.db2.gz FKHFGCORRWMMDZ-GXFFZTMASA-N 0 1 298.308 2.643 20 30 CFEDMN COc1cc(CN[C@@H]2C[C@H]2C(F)(F)F)ccc1C#N ZINC000601158960 350684615 /nfs/dbraw/zinc/68/46/15/350684615.db2.gz AAXBTZQNSBDCLK-GHMZBOCLSA-N 0 1 270.254 2.607 20 30 CFEDMN Cc1[nH]n(-c2cc(F)cc(F)c2F)c(=O)c1CCC#N ZINC000601948448 350815311 /nfs/dbraw/zinc/81/53/11/350815311.db2.gz GTYULGWTOMIZGV-VIFPVBQESA-N 0 1 281.237 2.746 20 30 CFEDMN Cc1[nH]n(-c2cc(F)c(F)cc2F)c(=O)c1CCC#N ZINC000601948649 350815635 /nfs/dbraw/zinc/81/56/35/350815635.db2.gz XCBSZDOFNWEJIG-QMMMGPOBSA-N 0 1 281.237 2.746 20 30 CFEDMN COc1ccc(-n2[nH]c(C)c(CCC#N)c2=O)cc1Cl ZINC000601948845 350815968 /nfs/dbraw/zinc/81/59/68/350815968.db2.gz MEVWSQIHVYKBKL-NSHDSACASA-N 0 1 291.738 2.991 20 30 CFEDMN Cc1[nH]n(-c2cc(F)c(F)c(F)c2)c(=O)c1CCC#N ZINC000601951120 350816906 /nfs/dbraw/zinc/81/69/06/350816906.db2.gz ZLWJGNBCGKDCQW-VIFPVBQESA-N 0 1 281.237 2.746 20 30 CFEDMN Cc1ccccc1C[C@H](CO)NCc1cccc(F)c1C#N ZINC000602017040 350833174 /nfs/dbraw/zinc/83/31/74/350833174.db2.gz LGBPSFYCOJKRQF-MRXNPFEDSA-N 0 1 298.361 2.699 20 30 CFEDMN CN(CC(=O)Nc1ccc(CC#N)cc1)CC(C)(C)C ZINC000602046316 350837189 /nfs/dbraw/zinc/83/71/89/350837189.db2.gz ROWNMHQTABGWFL-UHFFFAOYSA-N 0 1 273.380 2.669 20 30 CFEDMN CN1CCCC[C@H]1C(=O)N[C@H](CCC#N)c1ccccc1 ZINC000602128007 350844975 /nfs/dbraw/zinc/84/49/75/350844975.db2.gz HYGYSLGBUBQQQV-CVEARBPZSA-N 0 1 285.391 2.632 20 30 CFEDMN Cc1cc(C#N)cc(NC(=O)[C@H]2CCN2C2CCCC2)c1 ZINC000602158673 350848384 /nfs/dbraw/zinc/84/83/84/350848384.db2.gz PANLPPCBGZIZSS-MRXNPFEDSA-N 0 1 283.375 2.822 20 30 CFEDMN CN(CC(=O)Nc1cccc(CC#N)c1)CC(C)(C)C ZINC000602159766 350848598 /nfs/dbraw/zinc/84/85/98/350848598.db2.gz SWYFNOMYGZTGJN-UHFFFAOYSA-N 0 1 273.380 2.669 20 30 CFEDMN CCC(CC)[C@@H](O)CNCc1cccc(F)c1C#N ZINC000602004385 350827970 /nfs/dbraw/zinc/82/79/70/350827970.db2.gz FNAILXYHGZLPFM-HNNXBMFYSA-N 0 1 264.344 2.584 20 30 CFEDMN N#Cc1c(F)cccc1CNC1CCN(CC(F)F)CC1 ZINC000602007168 350829045 /nfs/dbraw/zinc/82/90/45/350829045.db2.gz NMIZCJZYACXPGL-UHFFFAOYSA-N 0 1 297.324 2.516 20 30 CFEDMN COc1ccc([C@@H](C)NCc2cccc(C#N)n2)cc1 ZINC000602524602 350913812 /nfs/dbraw/zinc/91/38/12/350913812.db2.gz MZFGFYPAHCOXPN-GFCCVEGCSA-N 0 1 267.332 2.813 20 30 CFEDMN C[C@H](CCC#N)CN[C@H](CO)c1c(F)cccc1F ZINC000602548564 350921165 /nfs/dbraw/zinc/92/11/65/350921165.db2.gz ZPEGDTFXVXDUOH-ZWNOBZJWSA-N 0 1 268.307 2.528 20 30 CFEDMN N#Cc1cccc(CNC2(c3ccccc3)CCOCC2)n1 ZINC000602553733 350921687 /nfs/dbraw/zinc/92/16/87/350921687.db2.gz AYHGUXNQCSCDOP-UHFFFAOYSA-N 0 1 293.370 2.749 20 30 CFEDMN Cc1cccc(OCCN(C)Cc2cccc(C#N)n2)c1 ZINC000602437383 350881247 /nfs/dbraw/zinc/88/12/47/350881247.db2.gz VXMBCXWXMDZENH-UHFFFAOYSA-N 0 1 281.359 2.773 20 30 CFEDMN C[C@H](CCC#N)CN1CCO[C@H](c2ccccc2)C1 ZINC000602437433 350882782 /nfs/dbraw/zinc/88/27/82/350882782.db2.gz XJUIILJSUKFPPA-ZBFHGGJFSA-N 0 1 258.365 3.000 20 30 CFEDMN CCC(CC)C(=O)N1CCN(C[C@H](C)CCC#N)CC1 ZINC000602440258 350883457 /nfs/dbraw/zinc/88/34/57/350883457.db2.gz PBONYFZAVIAUJT-CQSZACIVSA-N 0 1 279.428 2.507 20 30 CFEDMN CO[C@H](CN(CCC#N)CC(C)(C)C)C1CCOCC1 ZINC000602465541 350892669 /nfs/dbraw/zinc/89/26/69/350892669.db2.gz NZERDHGWJVYQRQ-OAHLLOKOSA-N 0 1 282.428 2.690 20 30 CFEDMN N#Cc1cccc(CN2CCS[C@H]3CCCC[C@@H]32)n1 ZINC000602475044 350897319 /nfs/dbraw/zinc/89/73/19/350897319.db2.gz IBMFWODDTGJILG-GJZGRUSLSA-N 0 1 273.405 2.813 20 30 CFEDMN C[C@H](CCC#N)CN[C@H](C)c1ncc(Br)cn1 ZINC000602669386 350969304 /nfs/dbraw/zinc/96/93/04/350969304.db2.gz IINFCHIIYJTYLI-NXEZZACHSA-N 0 1 297.200 2.830 20 30 CFEDMN N#Cc1ccc(C2(NCc3cccc(C#N)n3)CCC2)cc1 ZINC000602711424 350993941 /nfs/dbraw/zinc/99/39/41/350993941.db2.gz QKAHFWMGUWXYPA-UHFFFAOYSA-N 0 1 288.354 2.994 20 30 CFEDMN CSC1CCN(Cc2cc(C#N)cs2)CC1 ZINC000602724960 351001630 /nfs/dbraw/zinc/00/16/30/351001630.db2.gz GDZORIDSUWIUNV-UHFFFAOYSA-N 0 1 252.408 2.947 20 30 CFEDMN COc1ccc2c(c1)CCN(Cc1cccc(C#N)n1)CC2 ZINC000602625639 350951952 /nfs/dbraw/zinc/95/19/52/350951952.db2.gz FEJHYOLQDBPHSN-UHFFFAOYSA-N 0 1 293.370 2.563 20 30 CFEDMN C[C@@H]1CN(CCC2(C#N)CCCCC2)C[C@H](C)N1CC#N ZINC000602848220 351043723 /nfs/dbraw/zinc/04/37/23/351043723.db2.gz FNQHNWLXCAUWEJ-IYBDPMFKSA-N 0 1 288.439 2.769 20 30 CFEDMN COc1cccc([C@H](C)N2C[C@@H](C)N(CC#N)[C@H](C)C2)c1 ZINC000602852613 351045404 /nfs/dbraw/zinc/04/54/04/351045404.db2.gz DJEVHMQSSGUZCX-KFWWJZLASA-N 0 1 287.407 2.674 20 30 CFEDMN N#Cc1ccc(CN2CCC[C@H](c3cccnc3)C2)nc1 ZINC000602854023 351046492 /nfs/dbraw/zinc/04/64/92/351046492.db2.gz KXVWOCQILYCWHH-INIZCTEOSA-N 0 1 278.359 2.728 20 30 CFEDMN C[C@@H](c1ccc(C#N)cc1)N1C[C@@H](C)N(CC#N)[C@@H](C)C1 ZINC000602856069 351047222 /nfs/dbraw/zinc/04/72/22/351047222.db2.gz JQMSTSIVZVHNPO-ZNMIVQPWSA-N 0 1 282.391 2.537 20 30 CFEDMN C[C@@H]1CN(Cc2cc3ccccc3o2)C[C@H](C)N1CC#N ZINC000602860535 351048134 /nfs/dbraw/zinc/04/81/34/351048134.db2.gz JLYPYTLGMADVIG-OKILXGFUSA-N 0 1 283.375 2.851 20 30 CFEDMN Cc1cc(CN2CCC[C@@H]2c2cn[nH]c2)ccc1C#N ZINC000602878786 351056215 /nfs/dbraw/zinc/05/62/15/351056215.db2.gz AQSNHLPYLTXWLC-MRXNPFEDSA-N 0 1 266.348 2.927 20 30 CFEDMN N#Cc1ccccc1-c1ccc(C[N@@H+]2C[C@@H]3C[C@]3(O)C2)cc1 ZINC000603086511 351102949 /nfs/dbraw/zinc/10/29/49/351102949.db2.gz KUGLWNNXZHDVGV-HKUYNNGSSA-N 0 1 290.366 2.792 20 30 CFEDMN CN1CCN(C(=O)c2ccc(CC#N)cc2)C[C@H]1C(C)(C)C ZINC000603144135 351110744 /nfs/dbraw/zinc/11/07/44/351110744.db2.gz WPIHPIBJWXSJDR-INIZCTEOSA-N 0 1 299.418 2.555 20 30 CFEDMN C[C@@H]1Cc2cn[nH]c2[C@H](C(=O)Nc2cc(F)cc(C#N)c2)C1 ZINC000603169092 351113913 /nfs/dbraw/zinc/11/39/13/351113913.db2.gz KSWARTHAOHSNHQ-YMTOWFKASA-N 0 1 298.321 2.725 20 30 CFEDMN CC(C)(C#N)CCCn1cc([C@H](N)c2ccccc2)nn1 ZINC000603260718 351126755 /nfs/dbraw/zinc/12/67/55/351126755.db2.gz OVEQVNVQGPXZBC-OAHLLOKOSA-N 0 1 283.379 2.656 20 30 CFEDMN CN(CCC(=O)N1CCc2ccccc21)[C@H]1CCC[C@@H]1C#N ZINC000602976132 351076453 /nfs/dbraw/zinc/07/64/53/351076453.db2.gz LHIIGONAHXWEMA-CVEARBPZSA-N 0 1 297.402 2.590 20 30 CFEDMN CCN(CCCN(C)[C@@H]1CCC[C@H]1C#N)CC(F)(F)F ZINC000602979460 351079991 /nfs/dbraw/zinc/07/99/91/351079991.db2.gz DPFYXGFHYIFJBT-QWHCGFSZSA-N 0 1 291.361 2.885 20 30 CFEDMN CN(CCC(=O)Nc1ccccc1C#N)[C@H]1CCC[C@H]1C#N ZINC000602980295 351081318 /nfs/dbraw/zinc/08/13/18/351081318.db2.gz OGVVYGQVVPXHRM-HOCLYGCPSA-N 0 1 296.374 2.511 20 30 CFEDMN CN(CCc1ccc(C#N)cc1)[C@@H]1CCC[C@@H]1C#N ZINC000602981581 351082247 /nfs/dbraw/zinc/08/22/47/351082247.db2.gz GJHJGDRLUIHAOK-HZPDHXFCSA-N 0 1 253.349 2.725 20 30 CFEDMN CN(C[C@H](O)CCc1ccccc1)[C@H]1CCC[C@H]1C#N ZINC000602980509 351082657 /nfs/dbraw/zinc/08/26/57/351082657.db2.gz QTKRRYWMZFKECL-BBWFWOEESA-N 0 1 272.392 2.604 20 30 CFEDMN CN(CCc1ccc(C#N)cc1)[C@H]1CCC[C@H]1C#N ZINC000602981580 351082733 /nfs/dbraw/zinc/08/27/33/351082733.db2.gz GJHJGDRLUIHAOK-HOTGVXAUSA-N 0 1 253.349 2.725 20 30 CFEDMN CN(C[C@H](O)Cc1cccc(Cl)c1)[C@@H]1CCC[C@H]1C#N ZINC000602981647 351083501 /nfs/dbraw/zinc/08/35/01/351083501.db2.gz HHPJRBFBVXNBMM-NUEKZKHPSA-N 0 1 292.810 2.867 20 30 CFEDMN CN(C[C@H](O)Cc1cccc(Cl)c1)[C@H]1CCC[C@@H]1C#N ZINC000602981644 351083512 /nfs/dbraw/zinc/08/35/12/351083512.db2.gz HHPJRBFBVXNBMM-BMFZPTHFSA-N 0 1 292.810 2.867 20 30 CFEDMN COc1ccc(C#N)cc1CN1CCC(C)(F)CC1 ZINC000602993333 351087423 /nfs/dbraw/zinc/08/74/23/351087423.db2.gz YBQFZQRDCSSMJE-UHFFFAOYSA-N 0 1 262.328 2.891 20 30 CFEDMN Cc1ccc(CN[C@H]2CCCn3nccc32)cc1C#N ZINC000603028701 351092032 /nfs/dbraw/zinc/09/20/32/351092032.db2.gz FEUXUDNYDOXQHL-HNNXBMFYSA-N 0 1 266.348 2.688 20 30 CFEDMN CCOc1ccc(-n2[nH]c(C)c(CCC#N)c2=O)cc1 ZINC000603921278 351191980 /nfs/dbraw/zinc/19/19/80/351191980.db2.gz ORAOMDMOFAHPFB-CQSZACIVSA-N 0 1 271.320 2.728 20 30 CFEDMN CC(C)[C@@H](C#N)N1CCN([C@H](C)c2ccccc2)CC1 ZINC000609538624 351505863 /nfs/dbraw/zinc/50/58/63/351505863.db2.gz MKBYGEBMLJJCJM-NVXWUHKLSA-N 0 1 271.408 2.913 20 30 CFEDMN CCc1ccc(CCN2CCN([C@H](C#N)C(C)C)CC2)cc1 ZINC000609672197 351516080 /nfs/dbraw/zinc/51/60/80/351516080.db2.gz VLLAXQCCHJGEDD-LJQANCHMSA-N 0 1 299.462 2.957 20 30 CFEDMN CCC(CC)C(=O)N1CCN(CCCC(C)(C)C#N)CC1 ZINC000610447581 351567186 /nfs/dbraw/zinc/56/71/86/351567186.db2.gz JDSLTRMZOMFFHW-UHFFFAOYSA-N 0 1 293.455 2.897 20 30 CFEDMN N#Cc1cc(CN2CCC[C@H](n3ccnc3)C2)ccc1F ZINC000610719594 351597015 /nfs/dbraw/zinc/59/70/15/351597015.db2.gz DRDDBVULFHGMSJ-HNNXBMFYSA-N 0 1 284.338 2.731 20 30 CFEDMN CCC(CC)NC(=O)[C@H](C)N[C@@H](C)c1cccc(C#N)c1 ZINC000610345845 351556993 /nfs/dbraw/zinc/55/69/93/351556993.db2.gz ACOZDFPIQKVUIV-STQMWFEESA-N 0 1 287.407 2.902 20 30 CFEDMN CCCCNC(=O)[C@H](C)N[C@@H](C)c1cccc(C#N)c1 ZINC000610346016 351557137 /nfs/dbraw/zinc/55/71/37/351557137.db2.gz HOCMIUHSIPPSBH-STQMWFEESA-N 0 1 273.380 2.514 20 30 CFEDMN CCC[C@H](C)NC(=O)[C@H](C)N[C@H](C)c1cccc(C#N)c1 ZINC000610345872 351557269 /nfs/dbraw/zinc/55/72/69/351557269.db2.gz BBVXYQCAAPYFMG-MJBXVCDLSA-N 0 1 287.407 2.902 20 30 CFEDMN N#Cc1csc(CN2CCC[C@@H](n3ccnc3)C2)c1 ZINC000611268151 351660610 /nfs/dbraw/zinc/66/06/10/351660610.db2.gz WPNOXLUGUIQUMQ-CYBMUJFWSA-N 0 1 272.377 2.653 20 30 CFEDMN COc1ccc(C#N)cc1CN1CCC[C@H](n2ccnc2)C1 ZINC000610953440 351624388 /nfs/dbraw/zinc/62/43/88/351624388.db2.gz KYJDXVYHSHJTLZ-INIZCTEOSA-N 0 1 296.374 2.600 20 30 CFEDMN N#Cc1cc(CNC2(c3ccc(F)cc3)CC2)ccn1 ZINC000610993497 351631700 /nfs/dbraw/zinc/63/17/00/351631700.db2.gz RAXRSAYABFHYAN-UHFFFAOYSA-N 0 1 267.307 2.871 20 30 CFEDMN C[C@H](NCc1ccnc(C#N)c1)c1cccc(C#N)c1 ZINC000611386137 351677804 /nfs/dbraw/zinc/67/78/04/351677804.db2.gz DROXZZORUBIXPC-LBPRGKRZSA-N 0 1 262.316 2.676 20 30 CFEDMN C=C(C)CN(CC)C(=O)CN[C@@H](C)c1cccc(C#N)c1 ZINC000611387360 351679313 /nfs/dbraw/zinc/67/93/13/351679313.db2.gz MCYJNJIHMNGTMX-AWEZNQCLSA-N 0 1 285.391 2.633 20 30 CFEDMN C[C@H]1CCN(CCC(=O)Nc2cccc(C#N)c2)C[C@@H]1F ZINC000611502112 351699706 /nfs/dbraw/zinc/69/97/06/351699706.db2.gz NPDWVYPDELWWIL-WFASDCNBSA-N 0 1 289.354 2.567 20 30 CFEDMN C=CCCN1CCN([C@H](C#N)c2ccc(F)cc2)CC1 ZINC000611552558 351707457 /nfs/dbraw/zinc/70/74/57/351707457.db2.gz CTNCNYLWNZRZPE-MRXNPFEDSA-N 0 1 273.355 2.584 20 30 CFEDMN CC(C)(C)CN(CCO)Cc1cccc(C#N)c1F ZINC000611371750 351676329 /nfs/dbraw/zinc/67/63/29/351676329.db2.gz YQINMYRKJJTHFH-UHFFFAOYSA-N 0 1 264.344 2.538 20 30 CFEDMN N#Cc1cccc(OCCN2CCC[C@H](OC(F)F)C2)c1 ZINC000611580537 351712703 /nfs/dbraw/zinc/71/27/03/351712703.db2.gz XPKAEOGXOTVVMH-AWEZNQCLSA-N 0 1 296.317 2.641 20 30 CFEDMN C[C@@]1(C#N)CCCN(C[C@@H](O)CCc2ccccc2)C1 ZINC000612473106 351825541 /nfs/dbraw/zinc/82/55/41/351825541.db2.gz ILOBBJIXVCNRLB-IRXDYDNUSA-N 0 1 272.392 2.606 20 30 CFEDMN CC(C)N(Cc1cc(C#N)ccc1F)[C@@H]1CCOC1 ZINC000291747673 198079338 /nfs/dbraw/zinc/07/93/38/198079338.db2.gz KJRXXZUYUBJHSN-CQSZACIVSA-N 0 1 262.328 2.697 20 30 CFEDMN C[C@@]1(C#N)CCCN(Cc2[nH]nc3ccccc32)C1 ZINC000612405637 351815805 /nfs/dbraw/zinc/81/58/05/351815805.db2.gz BPXTUMLCYLFBQI-HNNXBMFYSA-N 0 1 254.337 2.689 20 30 CFEDMN C#C[C@@H](NC(=O)c1cccc2nc(C)[nH]c21)C(C)(C)C ZINC000291776952 198088920 /nfs/dbraw/zinc/08/89/20/198088920.db2.gz ULDBRUJWJRUFPS-CYBMUJFWSA-N 0 1 269.348 2.649 20 30 CFEDMN Cc1cnc([C@H](C)NC[C@@H](O)c2ccc(C#N)cc2)s1 ZINC000124313621 187131769 /nfs/dbraw/zinc/13/17/69/187131769.db2.gz LZIUPJGREQXYRM-SMDDNHRTSA-N 0 1 287.388 2.707 20 30 CFEDMN N#C[C@@H]1CCC[C@@H](Nc2cnn(-c3ccncc3)c2)C1 ZINC000613255839 351925891 /nfs/dbraw/zinc/92/58/91/351925891.db2.gz OKMSLMXOHLCRDB-CHWSQXEVSA-N 0 1 267.336 2.762 20 30 CFEDMN Cc1cc(CC(=O)Nc2ccc(OC(C)C)c(C#N)c2)n[nH]1 ZINC000130916005 187529036 /nfs/dbraw/zinc/52/90/36/187529036.db2.gz VWTBMKDSTYHJDZ-UHFFFAOYSA-N 0 1 298.346 2.558 20 30 CFEDMN C[C@@H]1CCN(Cc2ccc(C(C)(C)C#N)cc2)[C@@H](C(N)=O)C1 ZINC000614597582 352106438 /nfs/dbraw/zinc/10/64/38/352106438.db2.gz ZMMQCAKWPHIXOG-CZUORRHYSA-N 0 1 299.418 2.574 20 30 CFEDMN C=CCCN(C)[C@H]1CCN(c2ccccc2Cl)C1=O ZINC000133050936 187662492 /nfs/dbraw/zinc/66/24/92/187662492.db2.gz DTIJXKNEOUSSJT-AWEZNQCLSA-N 0 1 278.783 2.953 20 30 CFEDMN C=CCN(C(=O)c1cccc2[nH]c(C)nc21)[C@@H](C)COC ZINC000617582778 352597334 /nfs/dbraw/zinc/59/73/34/352597334.db2.gz VDKGOCDZKHVRBP-NSHDSACASA-N 0 1 287.363 2.534 20 30 CFEDMN C=CC[C@@H]1CCCN(C(=O)c2c(O)cccc2F)C1 ZINC000617780385 352643837 /nfs/dbraw/zinc/64/38/37/352643837.db2.gz UTDDOUCZIUDQKT-LLVKDONJSA-N 0 1 263.312 2.960 20 30 CFEDMN C=CC[C@H]1CCCN(C(=O)c2cccc(-c3nnc[nH]3)c2)C1 ZINC000617781526 352644679 /nfs/dbraw/zinc/64/46/79/352644679.db2.gz ORBCGPOTPWHEDL-ZDUSSCGKSA-N 0 1 296.374 2.900 20 30 CFEDMN C=CC[C@@H]1CCCN(C(=O)c2cc(CCC)[nH]n2)C1 ZINC000617787064 352647233 /nfs/dbraw/zinc/64/72/33/352647233.db2.gz GUJKAIXDSPWXSK-GFCCVEGCSA-N 0 1 261.369 2.791 20 30 CFEDMN C=C[C@@](C)(CC)C(=O)NCCc1nc2ccc(F)cc2[nH]1 ZINC000135088413 187794494 /nfs/dbraw/zinc/79/44/94/187794494.db2.gz BGMJBMYESXFAGW-INIZCTEOSA-N 0 1 289.354 2.963 20 30 CFEDMN CC[C@H]1CCCCN1C(=O)CN[C@H](C)c1ccc(C#N)cc1 ZINC000271621902 191245564 /nfs/dbraw/zinc/24/55/64/191245564.db2.gz CYQJHCPFXOWROI-PBHICJAKSA-N 0 1 299.418 3.000 20 30 CFEDMN N#C[C@H]1CCC[C@H](NCc2nnc(-c3ccc(F)cc3)[nH]2)C1 ZINC000618571872 352814808 /nfs/dbraw/zinc/81/48/08/352814808.db2.gz IXWYDOHLWQBVOP-FZMZJTMJSA-N 0 1 299.353 2.783 20 30 CFEDMN N#C[C@H]1CCC[C@@H](NC2(C(=O)Nc3ccccc3)CC2)C1 ZINC000618578514 352817221 /nfs/dbraw/zinc/81/72/21/352817221.db2.gz COYHGYYRMXOBMQ-DZGCQCFKSA-N 0 1 283.375 2.830 20 30 CFEDMN C[C@H](CCC#N)CN1CCN([C@@H](C#N)c2ccccc2)CC1 ZINC000618887233 352904370 /nfs/dbraw/zinc/90/43/70/352904370.db2.gz NPZUTMQLXIPRPH-AEFFLSMTSA-N 0 1 296.418 2.809 20 30 CFEDMN N#Cc1ccc(O[C@@H]2CCN(Cc3cccc(F)c3)C2)nc1 ZINC000292233577 198212228 /nfs/dbraw/zinc/21/22/28/198212228.db2.gz PQTKRBSLJRJKKN-MRXNPFEDSA-N 0 1 297.333 2.746 20 30 CFEDMN CC[N@H+]1CCN(C(=O)C[C@H](CC#N)c2ccccc2)C[C@H]1C ZINC000619441042 353024263 /nfs/dbraw/zinc/02/42/63/353024263.db2.gz HCIYVKXYKBUBGP-WBVHZDCISA-N 0 1 299.418 2.627 20 30 CFEDMN CCN1CCN(C(=O)C[C@H](CC#N)c2ccccc2)C[C@H]1C ZINC000619441042 353024265 /nfs/dbraw/zinc/02/42/65/353024265.db2.gz HCIYVKXYKBUBGP-WBVHZDCISA-N 0 1 299.418 2.627 20 30 CFEDMN CC[N@H+]1CCN(C(=O)C[C@@H](CC#N)c2ccccc2)C[C@@H]1C ZINC000619441039 353024286 /nfs/dbraw/zinc/02/42/86/353024286.db2.gz HCIYVKXYKBUBGP-DOTOQJQBSA-N 0 1 299.418 2.627 20 30 CFEDMN CCN1CCN(C(=O)C[C@@H](CC#N)c2ccccc2)C[C@@H]1C ZINC000619441039 353024288 /nfs/dbraw/zinc/02/42/88/353024288.db2.gz HCIYVKXYKBUBGP-DOTOQJQBSA-N 0 1 299.418 2.627 20 30 CFEDMN C[C@H](NCC1(CC#N)CC1)c1ccccc1[N+](=O)[O-] ZINC000619526407 353032675 /nfs/dbraw/zinc/03/26/75/353032675.db2.gz PNYLVOXLTBIJDT-NSHDSACASA-N 0 1 259.309 2.939 20 30 CFEDMN N#Cc1ccc(O[C@H]2CCN(Cc3ccccc3F)C2)nc1 ZINC000292252712 198219299 /nfs/dbraw/zinc/21/92/99/198219299.db2.gz QYMXROPTCNPNAJ-HNNXBMFYSA-N 0 1 297.333 2.746 20 30 CFEDMN C=Cn1cc(CNCc2ccc(C#N)c(Cl)c2)cn1 ZINC000619748711 353063726 /nfs/dbraw/zinc/06/37/26/353063726.db2.gz MCWZDJLNHSDGBH-UHFFFAOYSA-N 0 1 272.739 2.798 20 30 CFEDMN CCn1cc(CNCc2ccc(C#N)c(Cl)c2)cn1 ZINC000619748751 353063789 /nfs/dbraw/zinc/06/37/89/353063789.db2.gz SMXSZIXGVMWNJJ-UHFFFAOYSA-N 0 1 274.755 2.718 20 30 CFEDMN C[C@@H](NCC(=O)NC1(C#N)CCCCC1)c1ccsc1 ZINC000619783811 353066291 /nfs/dbraw/zinc/06/62/91/353066291.db2.gz ZPAGMNJMSLTJIL-GFCCVEGCSA-N 0 1 291.420 2.741 20 30 CFEDMN COc1ncc(CN[C@@H](C)c2cccc(C#N)c2)c(C)n1 ZINC000619621143 353041298 /nfs/dbraw/zinc/04/12/98/353041298.db2.gz PSAURFCNLSWBQR-NSHDSACASA-N 0 1 282.347 2.516 20 30 CFEDMN CC(C)Oc1ncccc1CN[C@H]1CC[C@@H](C#N)C1 ZINC000619672204 353047862 /nfs/dbraw/zinc/04/78/62/353047862.db2.gz BGBNASUCQWLBFF-OCCSQVGLSA-N 0 1 259.353 2.651 20 30 CFEDMN C=C(C)CN(CC)[C@H]1CCN(c2sccc2C#N)C1=O ZINC000152518289 188025378 /nfs/dbraw/zinc/02/53/78/188025378.db2.gz QYEHCGNOBDWROM-ZDUSSCGKSA-N 0 1 289.404 2.623 20 30 CFEDMN C=CCCC(C)(C)NC(=O)c1csc(=NC2CC2)[nH]1 ZINC000620858185 353241688 /nfs/dbraw/zinc/24/16/88/353241688.db2.gz ZMLJPFDCYHMOSV-UHFFFAOYSA-N 0 1 279.409 2.614 20 30 CFEDMN Cc1cc(C[C@H](C)Nc2nc(C)c(C#N)cc2Cl)[nH]n1 ZINC000292623096 198354034 /nfs/dbraw/zinc/35/40/34/198354034.db2.gz NPJFOLKDAOMDJC-QMMMGPOBSA-N 0 1 289.770 2.990 20 30 CFEDMN CC[C@H](COCC(F)(F)F)NCc1ccc(C#N)o1 ZINC000295179980 199391036 /nfs/dbraw/zinc/39/10/36/199391036.db2.gz VQFAWQDKRNTIJH-SECBINFHSA-N 0 1 276.258 2.598 20 30 CFEDMN C=CCN(CC=C)Cc1cn(C)nc1-c1cccnc1 ZINC000158125928 188358304 /nfs/dbraw/zinc/35/83/04/188358304.db2.gz GKBSNHSXFPLNAK-UHFFFAOYSA-N 0 1 268.364 2.656 20 30 CFEDMN C=CCN(CCc1cn(C)nn1)Cc1ccc(Cl)s1 ZINC000625044662 353969975 /nfs/dbraw/zinc/96/99/75/353969975.db2.gz FDVKBPJZLSZCSS-UHFFFAOYSA-N 0 1 296.827 2.761 20 30 CFEDMN C=CC[C@H]1CC[N@H+](CC(=O)N(CC(C)C)C2CC2)C1 ZINC000625699655 354088112 /nfs/dbraw/zinc/08/81/12/354088112.db2.gz BZELEGLZWXGESE-AWEZNQCLSA-N 0 1 264.413 2.531 20 30 CFEDMN C=C[C@@H]1OCCC[C@H]1NCc1ccncc1Br ZINC000625460332 354053394 /nfs/dbraw/zinc/05/33/94/354053394.db2.gz KSMSFFMFSHRKMP-OLZOCXBDSA-N 0 1 297.196 2.667 20 30 CFEDMN C=CC[C@H]1CCN(CC(=O)Nc2ccccc2C)C1 ZINC000625701714 354089342 /nfs/dbraw/zinc/08/93/42/354089342.db2.gz BVDAMDUZPDZPMW-AWEZNQCLSA-N 0 1 258.365 2.832 20 30 CFEDMN C=CC[C@H]1CCN(CC(=O)Nc2ccc(OCC)cc2)C1 ZINC000625701869 354089474 /nfs/dbraw/zinc/08/94/74/354089474.db2.gz UBROEPNTCAMJPZ-AWEZNQCLSA-N 0 1 288.391 2.922 20 30 CFEDMN C=CC[C@@H]1CCN(CC(=O)Nc2cccc(F)c2)C1 ZINC000625703140 354090208 /nfs/dbraw/zinc/09/02/08/354090208.db2.gz LQIBORFJKZBEJR-GFCCVEGCSA-N 0 1 262.328 2.662 20 30 CFEDMN C=CC[C@@H]1CCN(Cc2nc(-c3ccccn3)no2)C1 ZINC000625703925 354091463 /nfs/dbraw/zinc/09/14/63/354091463.db2.gz PTPMDNWDXWGJIY-GFCCVEGCSA-N 0 1 270.336 2.530 20 30 CFEDMN C=CC[C@H]1CCN(CC(=O)Nc2ccc(Cl)cn2)C1 ZINC000625705398 354092324 /nfs/dbraw/zinc/09/23/24/354092324.db2.gz VCFZIWULRYBONV-NSHDSACASA-N 0 1 279.771 2.572 20 30 CFEDMN C=CC[C@H]1CCN(CC(=O)N(CCC)CC(F)(F)F)C1 ZINC000625706051 354092422 /nfs/dbraw/zinc/09/24/22/354092422.db2.gz WRNFJDVPXGRFQQ-LBPRGKRZSA-N 0 1 292.345 2.685 20 30 CFEDMN CCn1cc(C(=O)C(C#N)c2nc3ccccc3[nH]2)c(C)n1 ZINC000626283980 354244300 /nfs/dbraw/zinc/24/43/00/354244300.db2.gz YWYIZJMPFJPGKN-NSHDSACASA-N 0 1 293.330 2.578 20 30 CFEDMN C=CC(C)(C)CCNC(=O)c1ccc(-c2nnc[nH]2)cc1 ZINC000628314293 354539720 /nfs/dbraw/zinc/53/97/20/354539720.db2.gz UXTWNBSATKRSMI-UHFFFAOYSA-N 0 1 284.363 2.804 20 30 CFEDMN C=CC(C)(C)CCNC(=O)c1c[nH]c2ccccc2c1=O ZINC000628317524 354542535 /nfs/dbraw/zinc/54/25/35/354542535.db2.gz NHGPPASUASCFHN-UHFFFAOYSA-N 0 1 284.359 2.860 20 30 CFEDMN C#CC[C@@H](NCC(=O)NCCC(C)(C)C)c1ccccc1 ZINC000271749447 191305822 /nfs/dbraw/zinc/30/58/22/191305822.db2.gz XFPABWWLDRDSKU-MRXNPFEDSA-N 0 1 286.419 2.893 20 30 CFEDMN C=CC[C@H]1CC[N@H+](Cc2csc(C(=O)[O-])c2)C1 ZINC000629366772 354789694 /nfs/dbraw/zinc/78/96/94/354789694.db2.gz WMFVXMRIYGEYCZ-JTQLQIEISA-N 0 1 251.351 2.844 20 30 CFEDMN N#Cc1c(Cl)nsc1N[C@H]1CCCc2cn[nH]c21 ZINC000271426332 283074605 /nfs/dbraw/zinc/07/46/05/283074605.db2.gz VYCWSSIUUYDCAJ-QMMMGPOBSA-N 0 1 279.756 2.881 20 30 CFEDMN C=C(C)COCCNCc1ccncc1Br ZINC000631091478 355287401 /nfs/dbraw/zinc/28/74/01/355287401.db2.gz PXDVMLTVNKXLQE-UHFFFAOYSA-N 0 1 285.185 2.526 20 30 CFEDMN C=CCCC(C)(C)CNC(=O)N[C@@H]1CCc2nc[nH]c2C1 ZINC000633250438 355846007 /nfs/dbraw/zinc/84/60/07/355846007.db2.gz KTHYNMDFXPPWCJ-GFCCVEGCSA-N 0 1 290.411 2.559 20 30 CFEDMN C=C1C[C@H]2CC[C@@H](C1)N2C(=O)c1n[nH]cc1C(F)(F)F ZINC000633647323 355958873 /nfs/dbraw/zinc/95/88/73/355958873.db2.gz ZABWBHJCDRGUSW-DTORHVGOSA-N 0 1 285.269 2.752 20 30 CFEDMN N#Cc1ccc(CN2CCSC[C@@H]2C2CC2)s1 ZINC000334679947 283141424 /nfs/dbraw/zinc/14/14/24/283141424.db2.gz YIHGCMVAAPLEEQ-CYBMUJFWSA-N 0 1 264.419 2.947 20 30 CFEDMN N#Cc1ccc([C@@H](O)CN2CCCC[C@@H]2c2cc[nH]n2)cc1 ZINC000285481177 283187629 /nfs/dbraw/zinc/18/76/29/283187629.db2.gz VVTHGKUOROAWCC-SJORKVTESA-N 0 1 296.374 2.542 20 30 CFEDMN N#Cc1cnc(CN2CCC[C@H]3CCCC[C@@H]32)nc1 ZINC000332213291 283229744 /nfs/dbraw/zinc/22/97/44/283229744.db2.gz JOVGYCFYRLEBMQ-KGLIPLIRSA-N 0 1 256.353 2.503 20 30 CFEDMN CCC#C[C@H](C)N1CC[C@@]2(C1)OCc1ccccc12 ZINC000681168069 540358029 /nfs/dbraw/zinc/35/80/29/540358029.db2.gz KUHWVZKLWBBPAP-YOEHRIQHSA-N 0 1 255.361 2.920 20 30 CFEDMN CN(Cc1ccc(C#N)s1)[C@H](CO)c1ccccc1 ZINC000294943601 199263545 /nfs/dbraw/zinc/26/35/45/199263545.db2.gz CKQGYGKFRSKWNQ-OAHLLOKOSA-N 0 1 272.373 2.785 20 30 CFEDMN C=CCC(C)(C)C(=O)NCc1ccc2cncn2c1 ZINC000297390884 200173950 /nfs/dbraw/zinc/17/39/50/200173950.db2.gz WZUFZCFXMWNJPR-UHFFFAOYSA-N 0 1 257.337 2.553 20 30 CFEDMN CC(C)N(Cc1cncn1C)Cc1ccc(C#N)cc1 ZINC000177027360 189021845 /nfs/dbraw/zinc/02/18/45/189021845.db2.gz LSGHWVJUVQIBKH-UHFFFAOYSA-N 0 1 268.364 2.702 20 30 CFEDMN CN(CC#Cc1ccc(Cl)cc1)C[C@H]1CCCO1 ZINC000177103016 189028853 /nfs/dbraw/zinc/02/88/53/189028853.db2.gz LHUSCIOQQPSZBL-OAHLLOKOSA-N 0 1 263.768 2.802 20 30 CFEDMN Cc1cccc2nc(CNC(=O)c3sccc3C#N)[nH]c21 ZINC000155262746 540823518 /nfs/dbraw/zinc/82/35/18/540823518.db2.gz HDEKIIBQHHBWNO-UHFFFAOYSA-N 0 1 296.355 2.735 20 30 CFEDMN COc1ccc(Br)c(CNCCCC#N)c1 ZINC000273084257 540824925 /nfs/dbraw/zinc/82/49/25/540824925.db2.gz RHZVHUNYEKAVMH-UHFFFAOYSA-N 0 1 283.169 2.851 20 30 CFEDMN CC(C)(C)OC(=O)[C@H]1CCN(Cc2ccc(C#N)s2)C1 ZINC000179963538 189229687 /nfs/dbraw/zinc/22/96/87/189229687.db2.gz OXDCKFDGCBDWEN-NSHDSACASA-N 0 1 292.404 2.783 20 30 CFEDMN CC(C)(C)OC(=O)[C@@H]1CCN(Cc2ccc(C#N)s2)C1 ZINC000179963523 189229708 /nfs/dbraw/zinc/22/97/08/189229708.db2.gz OXDCKFDGCBDWEN-LLVKDONJSA-N 0 1 292.404 2.783 20 30 CFEDMN CC(C)CO[C@@H]1CCN(Cc2ccc(C#N)s2)C1 ZINC000180634117 189266700 /nfs/dbraw/zinc/26/67/00/189266700.db2.gz GWUOXYKYPAOOCB-GFCCVEGCSA-N 0 1 264.394 2.867 20 30 CFEDMN C[C@@H](c1ccc(C#N)cc1)N1CCCN(CC(F)F)CC1 ZINC000180546068 189261447 /nfs/dbraw/zinc/26/14/47/189261447.db2.gz LWGUJDNBUBXKGM-ZDUSSCGKSA-N 0 1 293.361 2.892 20 30 CFEDMN C=C(C)CN(Cc1cnn(C(C)C)c1)[C@@H](CO)C(=C)C ZINC000671724675 541058428 /nfs/dbraw/zinc/05/84/28/541058428.db2.gz OCLLNZQMPRBTTO-INIZCTEOSA-N 0 1 277.412 2.779 20 30 CFEDMN C=CCOCCCN1CCO[C@H](Cc2ccccc2)C1 ZINC000348023861 781941037 /nfs/dbraw/zinc/94/10/37/781941037.db2.gz CLDNQUKDJZRPKL-QGZVFWFLSA-N 0 1 275.392 2.523 20 30 CFEDMN C=CCN(C(=O)NC[C@@H]1CCN1Cc1ccccc1)C1CC1 ZINC000667329012 541216774 /nfs/dbraw/zinc/21/67/74/541216774.db2.gz ZBMXVJLTUVDBPB-KRWDZBQOSA-N 0 1 299.418 2.621 20 30 CFEDMN C=CCN(CC=C)C(=O)NC[C@@H]1CCN1Cc1ccccc1 ZINC000667332516 541218027 /nfs/dbraw/zinc/21/80/27/541218027.db2.gz CRFYSSMCPSWHML-KRWDZBQOSA-N 0 1 299.418 2.645 20 30 CFEDMN O=C(Nc1nc(-c2ccco2)n[nH]1)c1n[nH]c2ccccc21 ZINC000073974268 541221888 /nfs/dbraw/zinc/22/18/88/541221888.db2.gz HFXSMXWLXGCXSB-UHFFFAOYSA-N 0 1 294.274 2.577 20 30 CFEDMN CC1=CCN(CCNc2nc3c(cc2C#N)CCCC3)CC1 ZINC000302182258 201385295 /nfs/dbraw/zinc/38/52/95/201385295.db2.gz ZBASEZLCIVRUSM-UHFFFAOYSA-N 0 1 296.418 2.896 20 30 CFEDMN N#Cc1cc(-c2ccc(F)c(O)c2)nc(C2CC2)n1 ZINC001243051534 781957179 /nfs/dbraw/zinc/95/71/79/781957179.db2.gz VLYQCBIJHGPMCC-UHFFFAOYSA-N 0 1 255.252 2.737 20 30 CFEDMN C=CCCn1cc(CN2C[C@H](C(C)C)[C@@H]2C(C)C)nn1 ZINC000668220100 541406178 /nfs/dbraw/zinc/40/61/78/541406178.db2.gz DBVIVFAGPNWNIP-CVEARBPZSA-N 0 1 276.428 2.967 20 30 CFEDMN CCCn1ccc(C=C(C)c2nc(C)c(C#N)c(=O)[nH]2)c1 ZINC000435337426 240303208 /nfs/dbraw/zinc/30/32/08/240303208.db2.gz VWZZIHRWIAPRGN-FLIBITNWSA-N 0 1 282.347 2.722 20 30 CFEDMN Cc1cc(CN[C@H](C)C(=O)N2CCCC[C@H]2C)ccc1C#N ZINC000443970729 241100681 /nfs/dbraw/zinc/10/06/81/241100681.db2.gz SHBGDFXHVOVVMV-HUUCEWRRSA-N 0 1 299.418 2.746 20 30 CFEDMN C[C@@H](O)[C@H]1C[C@H](C)CCN1Cc1cccc(C#N)c1F ZINC000443340339 241055727 /nfs/dbraw/zinc/05/57/27/241055727.db2.gz ASDLNCHWORFMCG-LALPHHSUSA-N 0 1 276.355 2.679 20 30 CFEDMN CC(C)[C@@H]1CCC[N@@H+](CC(=O)Nc2cccc(C#N)c2)C1 ZINC000444749821 241182249 /nfs/dbraw/zinc/18/22/49/241182249.db2.gz VRCGAPHGVUJLFS-OAHLLOKOSA-N 0 1 285.391 2.865 20 30 CFEDMN CC(C)[C@@H]1CCCN(CC(=O)Nc2cccc(C#N)c2)C1 ZINC000444749821 241182257 /nfs/dbraw/zinc/18/22/57/241182257.db2.gz VRCGAPHGVUJLFS-OAHLLOKOSA-N 0 1 285.391 2.865 20 30 CFEDMN C[C@@H]1CN(CCCOc2cccc(C#N)c2)[C@H](C)[C@@H](C)O1 ZINC000446083976 241278114 /nfs/dbraw/zinc/27/81/14/241278114.db2.gz SQKXNGYASAEIOD-RBSFLKMASA-N 0 1 288.391 2.825 20 30 CFEDMN CC[C@H](NCc1c(C)nn(C)c1OC)c1ccc(C#N)cc1 ZINC000447590684 241389018 /nfs/dbraw/zinc/38/90/18/241389018.db2.gz FGQXOJMBWCIJLE-INIZCTEOSA-N 0 1 298.390 2.850 20 30 CFEDMN COc1cc(CN2CCSC[C@H]2C2CC2)ccc1C#N ZINC000449529157 242005929 /nfs/dbraw/zinc/00/59/29/242005929.db2.gz VIRQJXJGDDFEEB-HNNXBMFYSA-N 0 1 288.416 2.894 20 30 CFEDMN C[C@]12CN(Cc3nc(C#N)cs3)C[C@H]1[C@@H]1CC[C@H]2C1 ZINC000449762470 242143260 /nfs/dbraw/zinc/14/32/60/242143260.db2.gz ILWRWZGJCFQBPR-REJLFOLJSA-N 0 1 273.405 2.883 20 30 CFEDMN C=CCCN(C)C(=O)NC[C@@H](c1cccc(F)c1)N(C)C ZINC000276030547 193193334 /nfs/dbraw/zinc/19/33/34/193193334.db2.gz BUVSMOMFAUSYLL-HNNXBMFYSA-N 0 1 293.386 2.646 20 30 CFEDMN C=CCCN(C)[C@@H](C)C(=O)Nc1cccc([N+](=O)[O-])c1C ZINC000276398989 193315974 /nfs/dbraw/zinc/31/59/74/193315974.db2.gz KELQBWQQCMMJQW-LBPRGKRZSA-N 0 1 291.351 2.738 20 30 CFEDMN C=CCCN(C)CC(=O)Nc1ccc(F)cc1Cl ZINC000276495765 193355431 /nfs/dbraw/zinc/35/54/31/193355431.db2.gz VMKNNBNXYJNCIB-UHFFFAOYSA-N 0 1 270.735 2.926 20 30 CFEDMN C=CCCN(C)[C@@H](C(=O)NC1CC1)c1ccc(F)cc1 ZINC000276530289 193368896 /nfs/dbraw/zinc/36/88/96/193368896.db2.gz ZTWYDHRBTBRNSE-OAHLLOKOSA-N 0 1 276.355 2.653 20 30 CFEDMN C=CCS(=O)(=O)CCN[C@H](C)c1csc(Cl)c1 ZINC000276571077 193385201 /nfs/dbraw/zinc/38/52/01/193385201.db2.gz UBDHXJYOCZOGGR-SECBINFHSA-N 0 1 293.841 2.653 20 30 CFEDMN CCC#C[C@@H](C)N1CCN(c2cccc(OC)c2)CC1 ZINC000677046724 541812849 /nfs/dbraw/zinc/81/28/49/541812849.db2.gz HFZQMFBORJRLKN-OAHLLOKOSA-N 0 1 272.392 2.619 20 30 CFEDMN Cc1cc(CN2CCCC[C@@H]2c2nnc[nH]2)ccc1C#N ZINC000331914148 204287072 /nfs/dbraw/zinc/28/70/72/204287072.db2.gz JBCPPXYXZAIRFA-OAHLLOKOSA-N 0 1 281.363 2.712 20 30 CFEDMN C[C@H]1CCC[C@](C#N)(NC(=O)c2n[nH]c3ccccc32)C1 ZINC000116810257 376207390 /nfs/dbraw/zinc/20/73/90/376207390.db2.gz WFOOYWBMBRGTFE-ZBEGNZNMSA-N 0 1 282.347 2.765 20 30 CFEDMN C=C(C)[C@H](CO)N(CCC)CC(=O)Nc1ccccc1C ZINC000677477153 541865015 /nfs/dbraw/zinc/86/50/15/541865015.db2.gz SGWMGJONKXMHEK-INIZCTEOSA-N 0 1 290.407 2.583 20 30 CFEDMN Cc1cccc(NS(=O)(=O)c2ccccc2C#N)c1C ZINC000016101061 372099789 /nfs/dbraw/zinc/09/97/89/372099789.db2.gz CWSCBOXYWHMWFN-UHFFFAOYSA-N 0 1 286.356 2.976 20 30 CFEDMN C=C[C@H](CC(=O)NCc1cc(C)[nH]n1)c1ccccc1 ZINC000677551099 541874930 /nfs/dbraw/zinc/87/49/30/541874930.db2.gz YBKFQVIHOVVGNA-CYBMUJFWSA-N 0 1 269.348 2.694 20 30 CFEDMN O=C(N[C@@H]1CCCC[C@H]1CO)c1cc2[nH]cnc2cc1F ZINC000329221792 227359871 /nfs/dbraw/zinc/35/98/71/227359871.db2.gz VHDVHYJMPQCHQX-JOYOIKCWSA-N 0 1 291.326 2.558 20 30 CFEDMN CC[C@@H]1CCCN(CC(=O)Nc2cccc(C#N)c2)C1 ZINC000030141746 372389287 /nfs/dbraw/zinc/38/92/87/372389287.db2.gz BHSUFORAHNAMKT-CYBMUJFWSA-N 0 1 271.364 2.619 20 30 CFEDMN Cc1cccc(CN2CCN(C[C@@H](C#N)CCC#N)CC2)c1 ZINC000032514714 372443297 /nfs/dbraw/zinc/44/32/97/372443297.db2.gz CGJOFOSJBRUSHF-GOSISDBHSA-N 0 1 296.418 2.556 20 30 CFEDMN N#CC(C(=O)c1cc(C2CC2)[nH]n1)c1nc2ccccc2[nH]1 ZINC000041494473 372844377 /nfs/dbraw/zinc/84/43/77/372844377.db2.gz UPFZUDVRSUHGQC-SNVBAGLBSA-N 0 1 291.314 2.653 20 30 CFEDMN CC(=O)Nc1ccc(C(=O)C(C#N)c2nc(C)cs2)cc1 ZINC000041520325 372845820 /nfs/dbraw/zinc/84/58/20/372845820.db2.gz RBGUSINHMRYYOT-CYBMUJFWSA-N 0 1 299.355 2.900 20 30 CFEDMN CC(=O)Nc1ccc(C(=O)[C@@H](C#N)c2nc(C)cs2)cc1 ZINC000041520325 372845829 /nfs/dbraw/zinc/84/58/29/372845829.db2.gz RBGUSINHMRYYOT-CYBMUJFWSA-N 0 1 299.355 2.900 20 30 CFEDMN C[C@@H](c1cccc(C#N)c1)[N@H+]1CCN(C)C(C)(C)C1 ZINC000571365097 383687954 /nfs/dbraw/zinc/68/79/54/383687954.db2.gz OLBKUEPCVDZALA-ZDUSSCGKSA-N 0 1 257.381 2.645 20 30 CFEDMN C[C@H](c1cccc(C#N)c1)[N@H+]1CCN(C)C(C)(C)C1 ZINC000571365095 383687978 /nfs/dbraw/zinc/68/79/78/383687978.db2.gz OLBKUEPCVDZALA-CYBMUJFWSA-N 0 1 257.381 2.645 20 30 CFEDMN CCCN(C)[C@H](C)C(=O)Nc1sc2c(c1C#N)CCC2 ZINC000049480366 373304150 /nfs/dbraw/zinc/30/41/50/373304150.db2.gz HENDFPMPQWBOCN-SNVBAGLBSA-N 0 1 291.420 2.777 20 30 CFEDMN C=CCN(CC=C)C(=O)CN(C)CCc1ccc(F)cc1 ZINC000055022398 373531933 /nfs/dbraw/zinc/53/19/33/373531933.db2.gz RHLJCXKASVCFNQ-UHFFFAOYSA-N 0 1 290.382 2.501 20 30 CFEDMN CC#CC[C@H](CO)Nc1ccnc2cc(F)ccc21 ZINC000645404583 383693794 /nfs/dbraw/zinc/69/37/94/383693794.db2.gz IOXMDTQDBAWJDI-GFCCVEGCSA-N 0 1 258.296 2.560 20 30 CFEDMN N#Cc1csc(CN2CCSC[C@H]2C2CC2)c1 ZINC000334678794 220234721 /nfs/dbraw/zinc/23/47/21/220234721.db2.gz HNCBLIRESCXSJB-ZDUSSCGKSA-N 0 1 264.419 2.947 20 30 CFEDMN C[C@@H](c1cccc(C#N)c1)N(C)Cc1cccc(C(N)=O)c1 ZINC000490392703 246008623 /nfs/dbraw/zinc/00/86/23/246008623.db2.gz HPDAWGAUKBZRCA-ZDUSSCGKSA-N 0 1 293.370 2.850 20 30 CFEDMN CCOc1ccc2nc(SCC#CCOC)[nH]c2c1 ZINC000677805336 541908245 /nfs/dbraw/zinc/90/82/45/541908245.db2.gz TZUAWJVEUVTWKK-UHFFFAOYSA-N 0 1 276.361 2.704 20 30 CFEDMN COCC#CCN1CCCC[C@@H]1c1ccccc1OC ZINC000677816826 541909592 /nfs/dbraw/zinc/90/95/92/541909592.db2.gz BINIJTRJZYVZLT-MRXNPFEDSA-N 0 1 273.376 2.872 20 30 CFEDMN CCN(CC#CCOC)Cc1cccc(Br)c1 ZINC000677818433 541910259 /nfs/dbraw/zinc/91/02/59/541910259.db2.gz NEGCXTJEPPEECW-UHFFFAOYSA-N 0 1 296.208 2.921 20 30 CFEDMN COCC#CCN1CCC(OC2CCC(C)CC2)CC1 ZINC000677817217 541910383 /nfs/dbraw/zinc/91/03/83/541910383.db2.gz JBQHQELPGVBAEQ-UHFFFAOYSA-N 0 1 279.424 2.696 20 30 CFEDMN COCC#CCN1CC[C@@H](C)[C@@H]1c1cccc(F)c1 ZINC000677820388 541911113 /nfs/dbraw/zinc/91/11/13/541911113.db2.gz LXDLFDDMEPAVAK-CZUORRHYSA-N 0 1 261.340 2.858 20 30 CFEDMN CCN(CC)[C@@H](C)C(=O)Nc1ccc(C#N)c(Cl)c1 ZINC000072862041 374295257 /nfs/dbraw/zinc/29/52/57/374295257.db2.gz ZLKXQNNADRSEEG-JTQLQIEISA-N 0 1 279.771 2.880 20 30 CFEDMN C[C@@H]1CCCN1CC(=O)Nc1ccc(C#N)c(Cl)c1 ZINC000072874567 374297997 /nfs/dbraw/zinc/29/79/97/374297997.db2.gz FBGYPCGSHMNAPK-SNVBAGLBSA-N 0 1 277.755 2.634 20 30 CFEDMN C=CCNC(=O)[C@@H](C)N(C)CC(C)(C)c1ccc(C)cc1 ZINC000072759414 374285419 /nfs/dbraw/zinc/28/54/19/374285419.db2.gz YVRGURAGIDXPRM-OAHLLOKOSA-N 0 1 288.435 2.895 20 30 CFEDMN C[C@H](CNc1ccc(C#N)cn1)N1CCc2sccc2C1 ZINC000073588047 374353653 /nfs/dbraw/zinc/35/36/53/374353653.db2.gz QQITYGYYKWGJLR-GFCCVEGCSA-N 0 1 298.415 2.873 20 30 CFEDMN C=C(C)CN(CC)C(=O)CN1CCC[C@H]1c1cccn1C ZINC000078729049 374571749 /nfs/dbraw/zinc/57/17/49/374571749.db2.gz OOCGIEXRDDIIJL-INIZCTEOSA-N 0 1 289.423 2.587 20 30 CFEDMN O[C@H]1C[C@H]2C[C@@H](C1)N(CC#Cc1ccccc1Cl)C2 ZINC000640077686 383703645 /nfs/dbraw/zinc/70/36/45/383703645.db2.gz QFEKGYXRGPVHHH-SNPRPXQTSA-N 0 1 275.779 2.537 20 30 CFEDMN CCN(Cc1ccncc1)Cc1ccc(OC)c(C#N)c1 ZINC000087833252 374833666 /nfs/dbraw/zinc/83/36/66/374833666.db2.gz GFBSFKUAUZGCBP-UHFFFAOYSA-N 0 1 281.359 2.984 20 30 CFEDMN N#Cc1ccc([C@H](O)CN2CCC(C(F)(F)F)CC2)cc1 ZINC000088420379 374846252 /nfs/dbraw/zinc/84/62/52/374846252.db2.gz MSZINGAEDIXWKQ-CQSZACIVSA-N 0 1 298.308 2.866 20 30 CFEDMN COc1ccnc(NCc2ccc(OC)c(C#N)c2)c1 ZINC000089806323 374956780 /nfs/dbraw/zinc/95/67/80/374956780.db2.gz VWGSEEHWQGKBIC-UHFFFAOYSA-N 0 1 269.304 2.583 20 30 CFEDMN CCC[C@H](C#N)NC(=O)[C@H](c1ccccc1)N(CC)CC ZINC000092005979 375081597 /nfs/dbraw/zinc/08/15/97/375081597.db2.gz DFYAEVUDWDSCME-CVEARBPZSA-N 0 1 287.407 2.878 20 30 CFEDMN C=CCCC[C@@H](C)N1CCN(C(=O)N2CCCC2)CC1 ZINC000678714653 542060420 /nfs/dbraw/zinc/06/04/20/542060420.db2.gz HSOFHUBDOWVELX-OAHLLOKOSA-N 0 1 279.428 2.565 20 30 CFEDMN CCCN1CCN([C@H](C#N)c2cccc(Cl)c2)CC1 ZINC000107900114 375810229 /nfs/dbraw/zinc/81/02/29/375810229.db2.gz ITDBEWDCNKRWMS-OAHLLOKOSA-N 0 1 277.799 2.932 20 30 CFEDMN COCC#CCN[C@@H](C)c1ccccc1OC(F)F ZINC000678738113 542062790 /nfs/dbraw/zinc/06/27/90/542062790.db2.gz XUMUKSHJHGDUGU-NSHDSACASA-N 0 1 269.291 2.588 20 30 CFEDMN CC(C)[C@](C)(C#N)NC(=O)[C@@H](C)N1CCCC(C)(C)C1 ZINC000112702826 375951449 /nfs/dbraw/zinc/95/14/49/375951449.db2.gz LFKWIIMMOQCNMO-CJNGLKHVSA-N 0 1 279.428 2.551 20 30 CFEDMN CN(CCC1CCCCC1)[C@@H](C(N)=O)c1ccc(C#N)cc1 ZINC000115540236 376137008 /nfs/dbraw/zinc/13/70/08/376137008.db2.gz CCMSEZHGLYPOJK-QGZVFWFLSA-N 0 1 299.418 2.987 20 30 CFEDMN CN(CC#Cc1cccc(Cl)c1)CCn1cccn1 ZINC000119559810 376434645 /nfs/dbraw/zinc/43/46/45/376434645.db2.gz GYRIYMGEZXUDIH-UHFFFAOYSA-N 0 1 273.767 2.520 20 30 CFEDMN C=CCN(Cc1cccc([N+](=O)[O-])c1)C[C@H]1CCCO1 ZINC000119649496 376448732 /nfs/dbraw/zinc/44/87/32/376448732.db2.gz UXMBFFGZPFZJRN-OAHLLOKOSA-N 0 1 276.336 2.762 20 30 CFEDMN CN(Cc1cn2ccccc2c1C#N)[C@@H]1CCSC1 ZINC000120017295 376529655 /nfs/dbraw/zinc/52/96/55/376529655.db2.gz NFEGFXWUHPUPHX-CYBMUJFWSA-N 0 1 271.389 2.748 20 30 CFEDMN N#Cc1cccc(CN2CCC(N3CCCCC3=O)CC2)c1 ZINC000120365070 376601378 /nfs/dbraw/zinc/60/13/78/376601378.db2.gz IQDNHDGPHJDSOP-UHFFFAOYSA-N 0 1 297.402 2.535 20 30 CFEDMN CC1(C)CCCN(Cc2cnc3ccc(C#N)cn23)C1 ZINC000121133319 376766018 /nfs/dbraw/zinc/76/60/18/376766018.db2.gz UELSYWWOBZKJSQ-UHFFFAOYSA-N 0 1 268.364 2.828 20 30 CFEDMN COc1cc(C#N)ccc1C[N@@H+](C)CCC1CCOCC1 ZINC000121205545 376782275 /nfs/dbraw/zinc/78/22/75/376782275.db2.gz KQPQWBUHBSNRJS-UHFFFAOYSA-N 0 1 288.391 2.815 20 30 CFEDMN CC(C)(C)OC(=O)[C@H]1CCCCN1CCCCC#N ZINC000121378981 376818317 /nfs/dbraw/zinc/81/83/17/376818317.db2.gz GCCLEBIUIZSIKM-CYBMUJFWSA-N 0 1 266.385 2.876 20 30 CFEDMN C=C1CC(C)(C(=O)Nc2cccc(-c3cn[nH]n3)c2)C1 ZINC000640111789 383716529 /nfs/dbraw/zinc/71/65/29/383716529.db2.gz NZKRWGHCSICJTA-UHFFFAOYSA-N 0 1 268.320 2.767 20 30 CFEDMN N#C[C@H](c1ccccc1)[C@H]1CCCN1CCC1OCCO1 ZINC000124503551 377055878 /nfs/dbraw/zinc/05/58/78/377055878.db2.gz GIGKYLKCAJRAHC-HZPDHXFCSA-N 0 1 286.375 2.521 20 30 CFEDMN CC[C@H](C#N)Sc1nc(-c2ccc(OC)cc2)n[nH]1 ZINC000127212709 377268769 /nfs/dbraw/zinc/26/87/69/377268769.db2.gz DQBVBFVPMFDIET-LLVKDONJSA-N 0 1 274.349 2.875 20 30 CFEDMN C=CCOc1ccccc1CN(C)C[C@H]1CCCO1 ZINC000128042028 377315439 /nfs/dbraw/zinc/31/54/39/377315439.db2.gz ABQUVTSZHZBMFA-OAHLLOKOSA-N 0 1 261.365 2.862 20 30 CFEDMN CCCN(C)CC(=O)N(CCC#N)c1cccc(Cl)c1 ZINC000128326571 377332843 /nfs/dbraw/zinc/33/28/43/377332843.db2.gz UPSIOTFGAQUQSW-UHFFFAOYSA-N 0 1 293.798 2.928 20 30 CFEDMN Cc1cc(C#N)ccc1C(=O)[C@@H](C#N)c1ccccn1 ZINC000129404777 377421691 /nfs/dbraw/zinc/42/16/91/377421691.db2.gz UFNDPERNGBUTGT-AWEZNQCLSA-N 0 1 261.284 2.752 20 30 CFEDMN CCN(Cc1ccc(C#N)s1)C[C@H]1CCCO1 ZINC000131788271 377759463 /nfs/dbraw/zinc/75/94/63/377759463.db2.gz XFDNKSJSTMDCIZ-LLVKDONJSA-N 0 1 250.367 2.621 20 30 CFEDMN C=CCCN(CC)CC(=O)Nc1ccccc1OC ZINC000132339775 377828656 /nfs/dbraw/zinc/82/86/56/377828656.db2.gz YCAPTZUFDXYREV-UHFFFAOYSA-N 0 1 262.353 2.532 20 30 CFEDMN COc1cc(CNc2ccc(C#N)cc2)cc([N+](=O)[O-])c1O ZINC000132855010 377882162 /nfs/dbraw/zinc/88/21/62/377882162.db2.gz YKLZHAAAKMKJNF-UHFFFAOYSA-N 0 1 299.286 2.793 20 30 CFEDMN Cc1cc(C[C@H](C)Nc2cccc(F)c2C#N)[nH]n1 ZINC000133526960 377937035 /nfs/dbraw/zinc/93/70/35/377937035.db2.gz VPZQVMBIACJQQU-VIFPVBQESA-N 0 1 258.300 2.772 20 30 CFEDMN O=C(N[C@H](CO)CC1CCCC1)[C@H]1CCCN1C1CC1 ZINC000328706791 378416620 /nfs/dbraw/zinc/41/66/20/378416620.db2.gz ZFZPIPJGUAIODU-DZGCQCFKSA-N 0 1 280.412 2.511 20 30 CFEDMN CC[C@@H]1CCC[C@H](NC(=O)[C@@H]2CCc3[nH]nnc3C2)C1 ZINC000328992398 378445558 /nfs/dbraw/zinc/44/55/58/378445558.db2.gz DMMYNLKUCCMWMI-UTUOFQBUSA-N 0 1 276.384 2.835 20 30 CFEDMN CC[C@@H]1CCC[C@H](NC(=O)[C@@H]2CCc3nn[nH]c3C2)C1 ZINC000328992398 378445563 /nfs/dbraw/zinc/44/55/63/378445563.db2.gz DMMYNLKUCCMWMI-UTUOFQBUSA-N 0 1 276.384 2.835 20 30 CFEDMN C[C@@H]1CCC[C@H](NC(=O)[C@H]2CCc3[nH]nnc3C2)CC1 ZINC000329039689 378447521 /nfs/dbraw/zinc/44/75/21/378447521.db2.gz NZWDEONNPFMHKT-WOPDTQHZSA-N 0 1 276.384 2.835 20 30 CFEDMN C[C@@H]1CCC[C@H](NC(=O)[C@H]2CCc3nn[nH]c3C2)CC1 ZINC000329039689 378447528 /nfs/dbraw/zinc/44/75/28/378447528.db2.gz NZWDEONNPFMHKT-WOPDTQHZSA-N 0 1 276.384 2.835 20 30 CFEDMN O=C(NCC1(CCO)CCCC1)[C@@H]1CCCN1C1CC1 ZINC000330220327 378528491 /nfs/dbraw/zinc/52/84/91/378528491.db2.gz KTWLWJFKYLEIHI-AWEZNQCLSA-N 0 1 280.412 2.513 20 30 CFEDMN Cc1ccccc1[C@H]1C[C@H](NC(=O)N[C@H](C)c2nnc[nH]2)C1 ZINC000329811522 378499592 /nfs/dbraw/zinc/49/95/92/378499592.db2.gz RLCAUNBSJWBVMU-JHJVBQTASA-N 0 1 299.378 2.624 20 30 CFEDMN CCC1(C)CCN(C([O-])=[NH+][C@H]2CCc3c[nH]nc3C2)CC1 ZINC000329871488 378506679 /nfs/dbraw/zinc/50/66/79/378506679.db2.gz CMXLBVSFDYSYOY-ZDUSSCGKSA-N 0 1 290.411 2.693 20 30 CFEDMN CN(CC1CCCCC1)C([O-])=[NH+][C@@H]1CCc2c[nH]nc2C1 ZINC000329874402 378507758 /nfs/dbraw/zinc/50/77/58/378507758.db2.gz FQLKAQPDEYJPKP-CQSZACIVSA-N 0 1 290.411 2.693 20 30 CFEDMN CC#CCN1CCC[C@H]1c1ccc(OC)cc1OC ZINC000157462894 378655675 /nfs/dbraw/zinc/65/56/75/378655675.db2.gz OGCVODIFIUCJFY-HNNXBMFYSA-N 0 1 259.349 2.864 20 30 CFEDMN CC#CCN1CCC[C@@H]1c1ccc(OC)cc1OC ZINC000157462752 378655972 /nfs/dbraw/zinc/65/59/72/378655972.db2.gz OGCVODIFIUCJFY-OAHLLOKOSA-N 0 1 259.349 2.864 20 30 CFEDMN CCC(=O)N[C@@H]1CCCN([C@H](C)c2cccc(C#N)c2)C1 ZINC000331272798 378660691 /nfs/dbraw/zinc/66/06/91/378660691.db2.gz OFYADYBSGIZIKG-CZUORRHYSA-N 0 1 285.391 2.610 20 30 CFEDMN COc1ccc(CNC2CC(C#N)(c3ccccc3)C2)cn1 ZINC000158451984 378667721 /nfs/dbraw/zinc/66/77/21/378667721.db2.gz FJKFVLQRQFRMGX-UHFFFAOYSA-N 0 1 293.370 2.804 20 30 CFEDMN C=CCNC(=O)CN1CCCCC[C@H]1c1ccc(C)o1 ZINC000158664950 378671799 /nfs/dbraw/zinc/67/17/99/378671799.db2.gz IFDAAZHIRFZCPC-AWEZNQCLSA-N 0 1 276.380 2.807 20 30 CFEDMN C[C@H]1CCC[C@](C#N)(NC(=O)c2cccc3nc[nH]c32)C1 ZINC000159578796 378718634 /nfs/dbraw/zinc/71/86/34/378718634.db2.gz IURPDDZKGBDQJR-ZBEGNZNMSA-N 0 1 282.347 2.765 20 30 CFEDMN C[C@H]1CCC[C@@](C#N)(NC(=O)c2cccc3nc[nH]c32)C1 ZINC000159578543 378718875 /nfs/dbraw/zinc/71/88/75/378718875.db2.gz IURPDDZKGBDQJR-MEDUHNTESA-N 0 1 282.347 2.765 20 30 CFEDMN C=CCOc1ccc(C(=O)N[C@H](C)Cc2cc(C)[nH]n2)cc1 ZINC000161375290 378842901 /nfs/dbraw/zinc/84/29/01/378842901.db2.gz CBNQILFTFVTEQJ-GFCCVEGCSA-N 0 1 299.374 2.644 20 30 CFEDMN COCCCN(CCOC)Cc1ccc(C#N)cc1Cl ZINC000162886120 378941024 /nfs/dbraw/zinc/94/10/24/378941024.db2.gz OHIYJVDUNRUDGH-UHFFFAOYSA-N 0 1 296.798 2.697 20 30 CFEDMN Cn1cc(CN2CCC[C@H]2c2cccnc2)cc1C#N ZINC000335281849 379023032 /nfs/dbraw/zinc/02/30/32/379023032.db2.gz ZXFLXHHDUCEPAY-INIZCTEOSA-N 0 1 266.348 2.629 20 30 CFEDMN CC(C)Oc1cccc(C(=O)[C@H](C#N)c2ccccn2)n1 ZINC000167142395 379068726 /nfs/dbraw/zinc/06/87/26/379068726.db2.gz SQOBUGDJEQOBSN-GFCCVEGCSA-N 0 1 281.315 2.754 20 30 CFEDMN Cn1cc(CN2CC[C@@](C)(F)C2)c(-c2ccc(C#N)cc2)n1 ZINC000334331397 379107140 /nfs/dbraw/zinc/10/71/40/379107140.db2.gz PIKXJDJBUDRDLT-QGZVFWFLSA-N 0 1 298.365 2.893 20 30 CFEDMN C=CCC1(C(=O)N2CC[C@@]3(C2)CCC[N@H+](C)C3)CCC1 ZINC000334368495 379171868 /nfs/dbraw/zinc/17/18/68/379171868.db2.gz SMBSVWOOROGVTA-INIZCTEOSA-N 0 1 276.424 2.677 20 30 CFEDMN C#CC[C@@H](N[C@H](C)c1ccnn1C)c1ccccc1 ZINC000278820722 194168708 /nfs/dbraw/zinc/16/87/08/194168708.db2.gz SKBVYPHSLWWVRG-UKRRQHHQSA-N 0 1 253.349 2.835 20 30 CFEDMN C[C@@H]1C[N@@H+](Cc2ccc(C#N)cc2)CC2(CCC2)O1 ZINC000335455024 379323801 /nfs/dbraw/zinc/32/38/01/379323801.db2.gz MCKKLGBBRSTANM-CYBMUJFWSA-N 0 1 256.349 2.702 20 30 CFEDMN C[C@@H]1CN(Cc2ccc(C#N)cc2)CC2(CCC2)O1 ZINC000335455024 379323808 /nfs/dbraw/zinc/32/38/08/379323808.db2.gz MCKKLGBBRSTANM-CYBMUJFWSA-N 0 1 256.349 2.702 20 30 CFEDMN CC(C)(C)[C@@H]1CC[N@@H+](Cc2ccc(C#N)s2)C[C@@H]1O ZINC000334502551 379406115 /nfs/dbraw/zinc/40/61/15/379406115.db2.gz BKBGNIJDWHUXHG-KGLIPLIRSA-N 0 1 278.421 2.849 20 30 CFEDMN CC(C)(C)[C@@H]1CCN(Cc2ccc(C#N)s2)C[C@@H]1O ZINC000334502551 379406124 /nfs/dbraw/zinc/40/61/24/379406124.db2.gz BKBGNIJDWHUXHG-KGLIPLIRSA-N 0 1 278.421 2.849 20 30 CFEDMN CN(C)c1ccc(CN(CCC#N)CC2CC2)cc1 ZINC000171992148 379463403 /nfs/dbraw/zinc/46/34/03/379463403.db2.gz VCJJAZBJDQDVLE-UHFFFAOYSA-N 0 1 257.381 2.878 20 30 CFEDMN CCN(Cc1nnc(-c2ccc(C#N)cc2)o1)C(C)C ZINC000173554100 379751024 /nfs/dbraw/zinc/75/10/24/379751024.db2.gz VBEKJQPFZBVWSO-UHFFFAOYSA-N 0 1 270.336 2.839 20 30 CFEDMN N#CC1(CN2CC3(CCC3)[C@H]2C2CCOCC2)CC1 ZINC000335121936 379976521 /nfs/dbraw/zinc/97/65/21/379976521.db2.gz YFUKDTFHRMBANH-CQSZACIVSA-N 0 1 260.381 2.571 20 30 CFEDMN CC[N@H+]1CC[C@@H](N(C)C(=O)c2cc(C#N)cs2)C[C@H]1C ZINC000335884320 380048899 /nfs/dbraw/zinc/04/88/99/380048899.db2.gz PTKNSIOKIBWINM-DGCLKSJQSA-N 0 1 291.420 2.565 20 30 CFEDMN Cc1ccn2c(CN3CCC(CC#N)CC3)cnc2c1 ZINC000335913585 380097809 /nfs/dbraw/zinc/09/78/09/380097809.db2.gz AXSCTYSCLDCNFR-UHFFFAOYSA-N 0 1 268.364 2.768 20 30 CFEDMN N#C[C@@H](c1ccccc1)N1CCN([C@H]2C=CCCC2)CC1 ZINC000176151429 380185935 /nfs/dbraw/zinc/18/59/35/380185935.db2.gz CXDDTJLTKOXPOR-ROUUACIJSA-N 0 1 281.403 2.978 20 30 CFEDMN C[C@@H]1C[N@H+]2CCCC[C@@H]2CN1C(=O)Nc1ccc(C#N)cc1 ZINC000335992140 380207009 /nfs/dbraw/zinc/20/70/09/380207009.db2.gz SQIZRKFIINUVFV-CZUORRHYSA-N 0 1 298.390 2.649 20 30 CFEDMN C[C@@H]1CN2CCCC[C@@H]2CN1C(=O)Nc1ccc(C#N)cc1 ZINC000335992140 380207013 /nfs/dbraw/zinc/20/70/13/380207013.db2.gz SQIZRKFIINUVFV-CZUORRHYSA-N 0 1 298.390 2.649 20 30 CFEDMN N#Cc1ccccc1CN[C@@H]1Cc2cccc(O)c2C1 ZINC000336280312 380306605 /nfs/dbraw/zinc/30/66/05/380306605.db2.gz TYHRJJHNGHDURC-OAHLLOKOSA-N 0 1 264.328 2.521 20 30 CFEDMN Cc1cccc(C)c1NC(=O)CNCc1cc(C#N)cs1 ZINC000177680980 380365917 /nfs/dbraw/zinc/36/59/17/380365917.db2.gz SHJPIIRVAGYSAD-UHFFFAOYSA-N 0 1 299.399 2.965 20 30 CFEDMN N#Cc1ccsc1NC(=O)CN1C[C@@H]2CCCC[C@@H]2C1 ZINC000177545573 380353615 /nfs/dbraw/zinc/35/36/15/380353615.db2.gz NYCSBXXITPZJQL-BETUJISGSA-N 0 1 289.404 2.680 20 30 CFEDMN C[C@@H]1CSC[C@@H]1NCc1cccc(F)c1C#N ZINC000336515271 380395244 /nfs/dbraw/zinc/39/52/44/380395244.db2.gz NGXQAXJXKKQEAW-RNCFNFMXSA-N 0 1 250.342 2.538 20 30 CFEDMN C#CC[C@H](N[C@H]1CCCN(C(C)C)C1=O)c1ccccc1 ZINC000279086545 194278719 /nfs/dbraw/zinc/27/87/19/194278719.db2.gz MRPXCYCMQQTLNY-IRXDYDNUSA-N 0 1 284.403 2.740 20 30 CFEDMN N#Cc1ccc(F)cc1CN1CCC[C@H]2COCC[C@H]21 ZINC000336605454 380536241 /nfs/dbraw/zinc/53/62/41/380536241.db2.gz VPDMYOHUDWVHCO-XJKSGUPXSA-N 0 1 274.339 2.698 20 30 CFEDMN C=C[C@H](CC(=O)N1[C@@H](C)CN(C)C[C@@H]1C)c1ccccc1 ZINC000179570985 380558597 /nfs/dbraw/zinc/55/85/97/380558597.db2.gz IPLPJFHDXAMPFG-HRCADAONSA-N 0 1 286.419 2.897 20 30 CFEDMN C=C(C)CN(C)Cc1ccc(C(=O)OC)c(F)c1 ZINC000181303744 380772139 /nfs/dbraw/zinc/77/21/39/380772139.db2.gz SISBTJKEHSOJIW-UHFFFAOYSA-N 0 1 251.301 2.620 20 30 CFEDMN C=C(C)CN(C)CC(=O)N(CC(C)C)CC(C)C ZINC000181301628 380772569 /nfs/dbraw/zinc/77/25/69/380772569.db2.gz OBBBSSMDYYIJJO-UHFFFAOYSA-N 0 1 254.418 2.635 20 30 CFEDMN C=CC(C)(C)C(=O)NCCc1nc2ccc(F)cc2[nH]1 ZINC000295388300 380822849 /nfs/dbraw/zinc/82/28/49/380822849.db2.gz SXHDCIFLKSUKGG-UHFFFAOYSA-N 0 1 275.327 2.573 20 30 CFEDMN C[C@@]1(F)CCCN(CCOc2cccc(C#N)c2)C1 ZINC000295451752 380864073 /nfs/dbraw/zinc/86/40/73/380864073.db2.gz PNKBCQPOKPCUJC-OAHLLOKOSA-N 0 1 262.328 2.761 20 30 CFEDMN C=CCN(CCc1ccccc1)Cc1n[nH]c(CC)n1 ZINC000181662980 380859079 /nfs/dbraw/zinc/85/90/79/380859079.db2.gz KFNKZBFOUXTSNE-UHFFFAOYSA-N 0 1 270.380 2.598 20 30 CFEDMN Cc1c(C#N)cccc1NC(=O)NCCN1CC=C(C)CC1 ZINC000358496894 380884316 /nfs/dbraw/zinc/88/43/16/380884316.db2.gz JMKSSXOTFUIKTO-UHFFFAOYSA-N 0 1 298.390 2.640 20 30 CFEDMN C=C[C@H](CC(=O)NCc1n[nH]c(C2CC2)n1)c1ccccc1 ZINC000295492423 380893486 /nfs/dbraw/zinc/89/34/86/380893486.db2.gz RRUXYRCIGNYQIQ-GFCCVEGCSA-N 0 1 296.374 2.658 20 30 CFEDMN Cc1nc([C@@H]2CCCCN2Cc2ccc(C#N)cc2F)n[nH]1 ZINC000408473322 380930996 /nfs/dbraw/zinc/93/09/96/380930996.db2.gz LXDPEYNTJIUTML-HNNXBMFYSA-N 0 1 299.353 2.851 20 30 CFEDMN CN(CCCCO)Cc1ccc(Br)cc1C#N ZINC000287687434 380909923 /nfs/dbraw/zinc/90/99/23/380909923.db2.gz ILHZRKCRSNMTJA-UHFFFAOYSA-N 0 1 297.196 2.525 20 30 CFEDMN C[C@H]1OCCN(CCC2(C#N)CCCCC2)[C@H]1C ZINC000411330736 381023659 /nfs/dbraw/zinc/02/36/59/381023659.db2.gz SWWMGIKTKKQVKE-UONOGXRCSA-N 0 1 250.386 2.960 20 30 CFEDMN CCOC(=O)[C@@H]1CN([C@@H](C)CCC#N)Cc2ccccc21 ZINC000411396686 381024977 /nfs/dbraw/zinc/02/49/77/381024977.db2.gz GDSCBRLXYCQZHN-XJKSGUPXSA-N 0 1 286.375 2.841 20 30 CFEDMN C=CCCCCCCNC(=O)N[C@@H](C)c1n[nH]c(C)n1 ZINC000288007258 380991980 /nfs/dbraw/zinc/99/19/80/380991980.db2.gz LSKXMQXPBIGEFF-NSHDSACASA-N 0 1 279.388 2.610 20 30 CFEDMN C#CCN(Cc1ccc(C(=O)OC)c(Cl)c1)C1CC1 ZINC000295661239 381001841 /nfs/dbraw/zinc/00/18/41/381001841.db2.gz FCELOBGTOYUYPL-UHFFFAOYSA-N 0 1 277.751 2.724 20 30 CFEDMN C=CC[C@H](C(=O)N1C[C@H](C)N(C)[C@@H](C)C1)c1ccccc1 ZINC000358759067 381062656 /nfs/dbraw/zinc/06/26/56/381062656.db2.gz PWDUNPIGIJKSJF-ZOBUZTSGSA-N 0 1 286.419 2.897 20 30 CFEDMN C=C(Cl)CN1CCCN2c3ccccc3C[C@H]2C1 ZINC000289372598 381033406 /nfs/dbraw/zinc/03/34/06/381033406.db2.gz BKQZOOKQXLFLAG-AWEZNQCLSA-N 0 1 262.784 2.876 20 30 CFEDMN N#Cc1ccc(CN2CC[C@@H](Oc3ccncc3)C2)s1 ZINC000354032577 381034133 /nfs/dbraw/zinc/03/41/33/381034133.db2.gz CABTUHAMWAQRRJ-CYBMUJFWSA-N 0 1 285.372 2.668 20 30 CFEDMN CO[C@H]1c2ccccc2C[C@H]1NCc1ccccc1C#N ZINC000411885920 381045419 /nfs/dbraw/zinc/04/54/19/381045419.db2.gz JUVLBEICKUVBNR-MSOLQXFVSA-N 0 1 278.355 2.960 20 30 CFEDMN C[C@H]1CC(C)(C)CN1CC(=O)Nc1ccc(C#N)cc1 ZINC000412032403 381109864 /nfs/dbraw/zinc/10/98/64/381109864.db2.gz BRXDKRHCAWUGKD-LBPRGKRZSA-N 0 1 271.364 2.617 20 30 CFEDMN N#CCCN(CCCO[C@@H]1CCCCO1)CC1CC1 ZINC000358838123 381114032 /nfs/dbraw/zinc/11/40/32/381114032.db2.gz XODLICUTIBQKOL-OAHLLOKOSA-N 0 1 266.385 2.545 20 30 CFEDMN Cc1csc(C(C#N)C(=O)c2ccc3nccnc3c2)n1 ZINC000354216397 381146453 /nfs/dbraw/zinc/14/64/53/381146453.db2.gz DHIHFSZOOZTMOR-LLVKDONJSA-N 0 1 294.339 2.885 20 30 CFEDMN CCOC(=O)C[C@H](C)N(C)Cc1cn2ccccc2c1C#N ZINC000182672178 381136512 /nfs/dbraw/zinc/13/65/12/381136512.db2.gz XPVHGSCLADXRFP-ZDUSSCGKSA-N 0 1 299.374 2.584 20 30 CFEDMN CN(Cc1cc(C(C)(C)C)[nH]n1)C(=O)c1ccc(C#N)cc1 ZINC000347498133 381187749 /nfs/dbraw/zinc/18/77/49/381187749.db2.gz RBCVLSWBAJLVNT-UHFFFAOYSA-N 0 1 296.374 2.851 20 30 CFEDMN Cc1ccc(C(=O)N[C@H]2CC[N@H+](C3CCCC3)C2)cc1C#N ZINC000369111741 381195823 /nfs/dbraw/zinc/19/58/23/381195823.db2.gz IRVCHKPXHPXOPJ-INIZCTEOSA-N 0 1 297.402 2.613 20 30 CFEDMN CCn1cc([C@@H](C)NCc2ccc(C#N)c(OC)c2)cn1 ZINC000289931306 381223385 /nfs/dbraw/zinc/22/33/85/381223385.db2.gz VMNGDGLKSIYJCO-GFCCVEGCSA-N 0 1 284.363 2.634 20 30 CFEDMN C[C@H](NCc1cc(C#N)n(C)c1)c1ccc([N+](=O)[O-])cc1 ZINC000296151338 381276529 /nfs/dbraw/zinc/27/65/29/381276529.db2.gz VXOCNJLXTIXTEP-NSHDSACASA-N 0 1 284.319 2.656 20 30 CFEDMN C=CCN(CC=C)C(=O)CN[C@H](C)c1ccc(F)c(C)c1 ZINC000342326564 381278387 /nfs/dbraw/zinc/27/83/87/381278387.db2.gz KVSVTURVDBVYKH-CQSZACIVSA-N 0 1 290.382 2.985 20 30 CFEDMN C[C@@H](C#N)CN[C@@H](C)CC(=O)Nc1cccc(Cl)c1 ZINC000183827294 381326492 /nfs/dbraw/zinc/32/64/92/381326492.db2.gz CHDSILQYPIQEIZ-QWRGUYRKSA-N 0 1 279.771 2.806 20 30 CFEDMN C=CCOCCCN[C@H](c1nc(C2CC2)no1)C(C)C ZINC000348052326 381458193 /nfs/dbraw/zinc/45/81/93/381458193.db2.gz NZKUMVBLMXSHFT-ZDUSSCGKSA-N 0 1 279.384 2.826 20 30 CFEDMN CC[C@@H](C)N1CCN(C(=O)/C=C/c2ccc(C#N)cc2)CC1 ZINC000296764053 381533688 /nfs/dbraw/zinc/53/36/88/381533688.db2.gz BXDOVIFWMKHOHJ-XVJNWHFHSA-N 0 1 297.402 2.514 20 30 CFEDMN N#Cc1ccc(Cl)cc1N1CCC[C@@H](c2nc[nH]n2)C1 ZINC000371271193 381580410 /nfs/dbraw/zinc/58/04/10/381580410.db2.gz NNIBFWGATCGCPG-LLVKDONJSA-N 0 1 287.754 2.714 20 30 CFEDMN CO[C@H]1c2ccccc2C[C@H]1NCc1ccc(C#N)o1 ZINC000414494331 381589547 /nfs/dbraw/zinc/58/95/47/381589547.db2.gz JYMVRRLEFLYYQN-CVEARBPZSA-N 0 1 268.316 2.553 20 30 CFEDMN Cc1[nH]ncc1CNc1nc(C)c(C#N)cc1Cl ZINC000290953186 381608477 /nfs/dbraw/zinc/60/84/77/381608477.db2.gz MHAMGGZGXAWYQP-UHFFFAOYSA-N 0 1 261.716 2.559 20 30 CFEDMN CC[C@@H]1CN(CC(C)(C)CCC#N)C[C@H](C)[S@]1=O ZINC000348544957 381624006 /nfs/dbraw/zinc/62/40/06/381624006.db2.gz JWPRPLDWRIMBIL-VEVIJQCQSA-N 0 1 270.442 2.548 20 30 CFEDMN C=CCC[C@@H](O)CN1CCN([C@@H](C)c2ccsc2)CC1 ZINC000185451080 381636471 /nfs/dbraw/zinc/63/64/71/381636471.db2.gz GFIPMTMILWLEAE-GOEBONIOSA-N 0 1 294.464 2.754 20 30 CFEDMN CCCCCCCCCNC(=O)[C@H]1C[C@H]1c1nc[nH]n1 ZINC000371570724 381661062 /nfs/dbraw/zinc/66/10/62/381661062.db2.gz DSFRDWZENNMUCB-OLZOCXBDSA-N 0 1 278.400 2.775 20 30 CFEDMN C#CC(C)(C)N(C)Cc1ccc(Br)cn1 ZINC000298560729 381674241 /nfs/dbraw/zinc/67/42/41/381674241.db2.gz PIEXGZUFSGKETL-UHFFFAOYSA-N 0 1 267.170 2.688 20 30 CFEDMN CC(C)N1CCc2nc(CN(C)[C@@H](C)CC#N)sc2C1 ZINC000371836352 381708523 /nfs/dbraw/zinc/70/85/23/381708523.db2.gz YOONSHBUZVQSBM-LBPRGKRZSA-N 0 1 292.452 2.644 20 30 CFEDMN C[C@H](C(=O)NCC[N@H+]1CCC[C@H](C)C1)c1cccc(C#N)c1 ZINC000360015406 381729378 /nfs/dbraw/zinc/72/93/78/381729378.db2.gz JTLXWINBJWCMFY-GJZGRUSLSA-N 0 1 299.418 2.510 20 30 CFEDMN C[C@@H](C(=O)NCC[N@H+]1CCC[C@H](C)C1)c1cccc(C#N)c1 ZINC000360015409 381730261 /nfs/dbraw/zinc/73/02/61/381730261.db2.gz JTLXWINBJWCMFY-LSDHHAIUSA-N 0 1 299.418 2.510 20 30 CFEDMN C=C1CCN(CCc2ccccc2C(=O)OC)CC1 ZINC000360050239 381751247 /nfs/dbraw/zinc/75/12/47/381751247.db2.gz ACFCLCSHUOYTCQ-UHFFFAOYSA-N 0 1 259.349 2.668 20 30 CFEDMN C=CCNC(=O)[C@H](C)N1CCC[C@H]1c1ccsc1 ZINC000298726557 381726874 /nfs/dbraw/zinc/72/68/74/381726874.db2.gz FSRJLWBQRFMFJS-AAEUAGOBSA-N 0 1 264.394 2.576 20 30 CFEDMN CC(C)C[C@H]1COCCN1Cc1ccc(CC#N)cc1 ZINC000343547513 381788308 /nfs/dbraw/zinc/78/83/08/381788308.db2.gz GZNKWVGMRQWREG-KRWDZBQOSA-N 0 1 272.392 3.000 20 30 CFEDMN C=C(CNC(=O)Cc1[nH]nc2ccccc21)c1ccccc1 ZINC000360215160 381772221 /nfs/dbraw/zinc/77/22/21/381772221.db2.gz ZYZPGDWPAANZIX-UHFFFAOYSA-N 0 1 291.354 2.935 20 30 CFEDMN Cc1nc(N[C@@H]2CN(C3CC3)C[C@@H]2C)c(Cl)cc1C#N ZINC000292552964 381809203 /nfs/dbraw/zinc/80/92/03/381809203.db2.gz JAIHJSSFFSEABK-LKFCYVNXSA-N 0 1 290.798 2.810 20 30 CFEDMN C=CCCCN1CCO[C@H](COc2ccccc2)C1 ZINC000361986847 381876284 /nfs/dbraw/zinc/87/62/84/381876284.db2.gz RQQGBWODTPCIDK-INIZCTEOSA-N 0 1 261.365 2.732 20 30 CFEDMN CC(C)(C)OC(=O)CCCN1CCC(C)(C#N)CC1 ZINC000343675999 381881154 /nfs/dbraw/zinc/88/11/54/381881154.db2.gz CCWURLRLFPONRQ-UHFFFAOYSA-N 0 1 266.385 2.734 20 30 CFEDMN C=CCc1cccc(C(C)C)c1NC(=O)N1CCNCC1 ZINC000415579998 381856673 /nfs/dbraw/zinc/85/66/73/381856673.db2.gz LAFXSEQZCVCZKE-UHFFFAOYSA-N 0 1 287.407 2.976 20 30 CFEDMN C=CCCc1ccccc1NC(=O)N1CCN[C@@H](C)C1 ZINC000415678574 381865981 /nfs/dbraw/zinc/86/59/81/381865981.db2.gz WZXZBTYCAOHIIJ-ZDUSSCGKSA-N 0 1 273.380 2.631 20 30 CFEDMN C=CCNC(=O)CN([C@@H](C)c1ccccc1)C1CC1 ZINC000299330914 381898259 /nfs/dbraw/zinc/89/82/59/381898259.db2.gz CANZDDAZRMKGDN-ZDUSSCGKSA-N 0 1 258.365 2.514 20 30 CFEDMN C=CCN(Cc1cc(OC)c(OC)cc1OC)C1CC1 ZINC000299397964 381923975 /nfs/dbraw/zinc/92/39/75/381923975.db2.gz UUULSJYZWPBDMF-UHFFFAOYSA-N 0 1 277.364 2.863 20 30 CFEDMN C=C(CNCc1ccc(C(=O)OC)o1)c1ccccc1 ZINC000343756085 381926553 /nfs/dbraw/zinc/92/65/53/381926553.db2.gz ABUNVXBVRJXBCI-UHFFFAOYSA-N 0 1 271.316 2.869 20 30 CFEDMN CSC[C@@H]1CCCN(Cc2ccc(C#N)o2)C1 ZINC000292895400 381889157 /nfs/dbraw/zinc/88/91/57/381889157.db2.gz ZKQYHDXTYXAXCG-LLVKDONJSA-N 0 1 250.367 2.726 20 30 CFEDMN C=CCCC[C@@H](C)NC(=O)N1CCN(C2CCC2)CC1 ZINC000343810422 381957113 /nfs/dbraw/zinc/95/71/13/381957113.db2.gz CNEJJPBLSDUYNB-CQSZACIVSA-N 0 1 279.428 2.611 20 30 CFEDMN C#CCN1CCC(C(=O)N(C)[C@H](C)c2ccccc2C)CC1 ZINC000299456083 381948879 /nfs/dbraw/zinc/94/88/79/381948879.db2.gz VSWGFDIUEAKYMZ-MRXNPFEDSA-N 0 1 298.430 2.860 20 30 CFEDMN CC(=Cc1cccc(F)c1C#N)c1nc(C)c(C#N)c(=O)[nH]1 ZINC000357077000 382000127 /nfs/dbraw/zinc/00/01/27/382000127.db2.gz IWCYAZJLTZEMGX-RMKNXTFCSA-N 0 1 294.289 2.521 20 30 CFEDMN C=CCN(CC=C)Cc1ccc2c(c1)CCC(=O)N2C ZINC000186778081 382011574 /nfs/dbraw/zinc/01/15/74/382011574.db2.gz BBIPZDDVHXFKEL-UHFFFAOYSA-N 0 1 270.376 2.770 20 30 CFEDMN C=C(C)C[C@@H](C)C(=O)N1CCC(C2N=NC(=S)O2)CC1 ZINC000373346622 381982955 /nfs/dbraw/zinc/98/29/55/381982955.db2.gz RNHUARYYOOYSJH-SNVBAGLBSA-N 0 1 295.408 2.667 20 30 CFEDMN C#C[C@@H](NCc1ccc(Br)o1)C(C)C ZINC000300879453 382066968 /nfs/dbraw/zinc/06/69/68/382066968.db2.gz IQWBPOMIDAQVGF-SNVBAGLBSA-N 0 1 256.143 2.790 20 30 CFEDMN COc1ccccc1[C@@H](CNc1cccnc1C#N)N(C)C ZINC000357319778 382105612 /nfs/dbraw/zinc/10/56/12/382105612.db2.gz WOSDLFXRUZUHFI-MRXNPFEDSA-N 0 1 296.374 2.677 20 30 CFEDMN C=CCC(F)(F)C(=O)NCc1nc2ccc(C)cc2[nH]1 ZINC000293420603 382115903 /nfs/dbraw/zinc/11/59/03/382115903.db2.gz MONMIWUGUHOEBI-UHFFFAOYSA-N 0 1 279.290 2.699 20 30 CFEDMN C=CCOCCN(CC)Cc1ccc(OC)cc1OC ZINC000293320881 382079238 /nfs/dbraw/zinc/07/92/38/382079238.db2.gz CIZONFJLJLNTLC-UHFFFAOYSA-N 0 1 279.380 2.728 20 30 CFEDMN C(#Cc1ccccc1)CN1CC[C@@H](c2nc(C3CC3)no2)C1 ZINC000375437398 382087097 /nfs/dbraw/zinc/08/70/97/382087097.db2.gz LOIWEPXYLWQQMQ-MRXNPFEDSA-N 0 1 293.370 2.788 20 30 CFEDMN CCN1CCN(c2ccc(C#N)cc2C(F)(F)F)CC1 ZINC000301157543 382094410 /nfs/dbraw/zinc/09/44/10/382094410.db2.gz DOLFDUBZJGADIG-UHFFFAOYSA-N 0 1 283.297 2.719 20 30 CFEDMN COc1ccccc1[C@@H](CNc1cccc(C#N)n1)N(C)C ZINC000301270254 382129634 /nfs/dbraw/zinc/12/96/34/382129634.db2.gz JMUVXEYEQUMBEY-OAHLLOKOSA-N 0 1 296.374 2.677 20 30 CFEDMN C=CCC1(CNC(=O)N2CCNC(C)(C)C2)CCCC1 ZINC000418260439 382139351 /nfs/dbraw/zinc/13/93/51/382139351.db2.gz PEFYICFSAKKIAX-UHFFFAOYSA-N 0 1 279.428 2.516 20 30 CFEDMN Cn1cc(CN2CC[C@@H](Oc3ccccc3)C2)cc1C#N ZINC000377206101 382236163 /nfs/dbraw/zinc/23/61/63/382236163.db2.gz GCUYWYMMRXLOFA-QGZVFWFLSA-N 0 1 281.359 2.550 20 30 CFEDMN C=C(C)C[C@H](C)C(=O)N1[C@H](C)CN(CC)C[C@@H]1C ZINC000344438503 382264306 /nfs/dbraw/zinc/26/43/06/382264306.db2.gz WXOTUQNSGIJCCX-MELADBBJSA-N 0 1 252.402 2.530 20 30 CFEDMN N#CCNC(=O)c1cccc2nc(-c3cccs3)[nH]c21 ZINC000352423343 382323538 /nfs/dbraw/zinc/32/35/38/382323538.db2.gz NPIAOBLVWMUBCW-UHFFFAOYSA-N 0 1 282.328 2.545 20 30 CFEDMN C[C@@H]1CC[C@@](CO)(N(C)Cc2ccc(F)cc2C#N)C1 ZINC000188031595 382329055 /nfs/dbraw/zinc/32/90/55/382329055.db2.gz SABGUDSBSYDZLO-MLGOLLRUSA-N 0 1 276.355 2.680 20 30 CFEDMN C=C[C@H](CC(=O)N1C[C@@H](C)N(C)[C@@H](C)C1)c1ccccc1 ZINC000293928654 382340807 /nfs/dbraw/zinc/34/08/07/382340807.db2.gz HRNDPVWZOQGPOY-OWCLPIDISA-N 0 1 286.419 2.897 20 30 CFEDMN C=C[C@@H](CO)NCc1ccc(-c2ccccc2)cc1OC ZINC000352453294 382341188 /nfs/dbraw/zinc/34/11/88/382341188.db2.gz LPHYOXQSVZZQPZ-KRWDZBQOSA-N 0 1 283.371 2.999 20 30 CFEDMN C=CCC(C)(C)CNC(=O)[C@@H]1CCCc2[nH]ncc21 ZINC000352489104 382361816 /nfs/dbraw/zinc/36/18/16/382361816.db2.gz XVIGNYFKJCCHGO-LLVKDONJSA-N 0 1 261.369 2.548 20 30 CFEDMN C=CCC(C)(C)C(=O)Nc1ccn(-c2ccncc2)n1 ZINC000294026190 382382708 /nfs/dbraw/zinc/38/27/08/382382708.db2.gz FFVYJYSRWBNCLV-UHFFFAOYSA-N 0 1 270.336 2.808 20 30 CFEDMN C=C[C@H](CO)NCc1ccc(-c2ccc(F)cc2)o1 ZINC000352465136 382347351 /nfs/dbraw/zinc/34/73/51/382347351.db2.gz DLTARPPBVIRKSX-CYBMUJFWSA-N 0 1 261.296 2.722 20 30 CFEDMN C=C[C@](C)(CC)C(=O)NCCN(C)Cc1ccc(F)cc1 ZINC000188487310 382422898 /nfs/dbraw/zinc/42/28/98/382422898.db2.gz RKVLQDJXPQHDGD-QGZVFWFLSA-N 0 1 292.398 2.976 20 30 CFEDMN N#CCCCCN[C@H](c1ccc(F)cc1)c1cnccn1 ZINC000346550116 382407198 /nfs/dbraw/zinc/40/71/98/382407198.db2.gz DFPAEHGOZQRNBM-MRXNPFEDSA-N 0 1 284.338 2.989 20 30 CFEDMN COc1ccc(F)cc1NC(=O)c1ccc(C#N)c(O)c1 ZINC000188750227 382470653 /nfs/dbraw/zinc/47/06/53/382470653.db2.gz IEQPDUKQUJMXOF-UHFFFAOYSA-N 0 1 286.262 2.664 20 30 CFEDMN CN1Cc2ccccc2[C@H](Nc2cnccc2C#N)C1 ZINC000378371779 382448911 /nfs/dbraw/zinc/44/89/11/382448911.db2.gz SCVWPQOAUWIOGH-MRXNPFEDSA-N 0 1 264.332 2.552 20 30 CFEDMN C[C@H](NC(=O)C(C#N)c1nc2ccccc2s1)C1CC1 ZINC000358124701 382461468 /nfs/dbraw/zinc/46/14/68/382461468.db2.gz OQDIYFJQZZFRNY-GXSJLCMTSA-N 0 1 285.372 2.818 20 30 CFEDMN N#C[C@H](c1ccccc1)[C@@H]1CCCN1C[C@H]1C[C@@H](O)C1 ZINC000420911370 382495635 /nfs/dbraw/zinc/49/56/35/382495635.db2.gz GIKDFEVGVRRZMP-XBVQOTNRSA-N 0 1 270.376 2.529 20 30 CFEDMN C=CCCCN[C@H](C)c1ncc(C(=O)OC)s1 ZINC000314890174 382527510 /nfs/dbraw/zinc/52/75/10/382527510.db2.gz DJNGWEPPTCPIQY-SECBINFHSA-N 0 1 254.355 2.547 20 30 CFEDMN C=CCC(C)(C)CNC(=O)c1n[nH]c2ccccc21 ZINC000311596601 382506342 /nfs/dbraw/zinc/50/63/42/382506342.db2.gz BOXIDLGWLSJWQX-UHFFFAOYSA-N 0 1 257.337 2.895 20 30 CFEDMN C#CCCN1CCCN(C(=O)c2ccccc2Cl)CC1 ZINC000366889701 382552052 /nfs/dbraw/zinc/55/20/52/382552052.db2.gz XGNIQJZRTZSWRZ-UHFFFAOYSA-N 0 1 290.794 2.511 20 30 CFEDMN Cc1c(Cl)cnc(NCc2n[nH]c(C3CC3)n2)c1C#N ZINC000294965463 382555752 /nfs/dbraw/zinc/55/57/52/382555752.db2.gz NKBQZYSKTGQOEV-UHFFFAOYSA-N 0 1 288.742 2.523 20 30 CFEDMN CC[C@H](CC#N)N[C@@H](C)CC(=O)Nc1cccc(OC)c1 ZINC000358305148 382558976 /nfs/dbraw/zinc/55/89/76/382558976.db2.gz XMITWGVQNXUTIA-QWHCGFSZSA-N 0 1 289.379 2.694 20 30 CFEDMN Cc1n[nH]c(CCNC(=O)[C@@H](C)CC2CCCC2)n1 ZINC000328669780 382561119 /nfs/dbraw/zinc/56/11/19/382561119.db2.gz FLHOGWLMJOCRED-JTQLQIEISA-N 0 1 264.373 2.829 20 30 CFEDMN Cc1cc(C)c(C#N)c(NCCN2CC=C(C)CC2)n1 ZINC000358313516 382562782 /nfs/dbraw/zinc/56/27/82/382562782.db2.gz VDUYDXKJZGKOCC-UHFFFAOYSA-N 0 1 270.380 2.634 20 30 CFEDMN N#Cc1ccc2c(c1)[C@H](N[C@@H](CO)c1ccsc1)CC2 ZINC000353597571 382571558 /nfs/dbraw/zinc/57/15/58/382571558.db2.gz PVXONEURIDTNNN-CVEARBPZSA-N 0 1 284.384 2.930 20 30 CFEDMN C=CCN(CC=C)C(=O)c1c[nH]c2ccc(C)cc2c1=O ZINC000346826331 382531901 /nfs/dbraw/zinc/53/19/01/382531901.db2.gz XADKETDNSUYAGA-UHFFFAOYSA-N 0 1 282.343 2.651 20 30 CFEDMN C=CCN1C(=O)N=NC1SCc1ccc(OC)c(F)c1 ZINC000358258593 382532374 /nfs/dbraw/zinc/53/23/74/382532374.db2.gz GOPQJIUPZJIKCP-UHFFFAOYSA-N 0 1 295.339 2.610 20 30 CFEDMN CCc1nc([C@H](C)N[C@@H]2CCc3ccc(C#N)cc32)n[nH]1 ZINC000353271070 382533155 /nfs/dbraw/zinc/53/31/55/382533155.db2.gz XWSNIGHHBNUKEY-IINYFYTJSA-N 0 1 281.363 2.577 20 30 CFEDMN Cc1ccc(C)c([C@H](C)N(C)CC(=O)NC2(C#N)CCC2)c1 ZINC000346834542 382535155 /nfs/dbraw/zinc/53/51/55/382535155.db2.gz APWBBVAWWHYOIL-HNNXBMFYSA-N 0 1 299.418 2.859 20 30 CFEDMN CC(C)n1cc(C#N)c(=NC(=O)c2ccc([C@@H]3C[C@@H]3C)o2)[nH]1 ZINC000366639500 382537172 /nfs/dbraw/zinc/53/71/72/382537172.db2.gz TVAOEFQDCJMYLM-CMPLNLGQSA-N 0 1 298.346 2.726 20 30 CFEDMN CC(=O)Nc1cccc([C@@H](C)NCc2cc(C#N)n(C)c2)c1 ZINC000189579642 382626534 /nfs/dbraw/zinc/62/65/34/382626534.db2.gz OQNGWQHHECHUNP-GFCCVEGCSA-N 0 1 296.374 2.706 20 30 CFEDMN C[C@@H](NC[C@H](C)C#N)[C@H]1CCCCN1C(=O)OC(C)(C)C ZINC000395259325 382629941 /nfs/dbraw/zinc/62/99/41/382629941.db2.gz WUOXWWDYXPRMLE-MGPQQGTHSA-N 0 1 295.427 2.914 20 30 CFEDMN N#CCCCN1CCCN(c2ccccc2F)CC1 ZINC000367624685 382579537 /nfs/dbraw/zinc/57/95/37/382579537.db2.gz WPDRIAKEYJZSQS-UHFFFAOYSA-N 0 1 261.344 2.642 20 30 CFEDMN Cc1ccc(NC(=O)c2ccc(C#N)c(O)c2)cc1F ZINC000189780769 382640478 /nfs/dbraw/zinc/64/04/78/382640478.db2.gz HRFYAEOAUJLRPW-UHFFFAOYSA-N 0 1 270.263 2.964 20 30 CFEDMN CC[C@H]1CN(CCOc2cccc(C#N)c2)C[C@H](CC)O1 ZINC000398504851 382635721 /nfs/dbraw/zinc/63/57/21/382635721.db2.gz DWSPFRJSQRAWKW-HOTGVXAUSA-N 0 1 288.391 2.826 20 30 CFEDMN C[C@@H](C(=O)NC1CCCCC1)N1CCC(CCC#N)CC1 ZINC000399290141 382638255 /nfs/dbraw/zinc/63/82/55/382638255.db2.gz AGRSPZAOCGJKLQ-AWEZNQCLSA-N 0 1 291.439 2.840 20 30 CFEDMN Cn1cc(CNCc2ccccc2OCC2CC2)cc1C#N ZINC000191159458 382693735 /nfs/dbraw/zinc/69/37/35/382693735.db2.gz GWFOXPGEFORYOF-UHFFFAOYSA-N 0 1 295.386 2.975 20 30 CFEDMN C=CCN1CC[C@@H](N(CC)[C@H](C)c2ccc(F)cc2)C1=O ZINC000337122504 382763549 /nfs/dbraw/zinc/76/35/49/382763549.db2.gz BHUWILYWZQRXTA-CZUORRHYSA-N 0 1 290.382 2.996 20 30 CFEDMN C=CCN1CC[C@@H](N(CCC)Cc2ccc(F)cc2)C1=O ZINC000337131647 382764919 /nfs/dbraw/zinc/76/49/19/382764919.db2.gz JWCHXFJAONZVFC-MRXNPFEDSA-N 0 1 290.382 2.825 20 30 CFEDMN C=CCN1CC[C@H]([N@@H+](C)CCCCc2ccccc2)C1=O ZINC000337135814 382765971 /nfs/dbraw/zinc/76/59/71/382765971.db2.gz MRIQUFNWFNZJJV-KRWDZBQOSA-N 0 1 286.419 2.728 20 30 CFEDMN C=CCN1CC[C@H](N2CCc3sccc3[C@@H]2CC)C1=O ZINC000337138249 382766272 /nfs/dbraw/zinc/76/62/72/382766272.db2.gz OVGRCSFYEWYXLG-KBPBESRZSA-N 0 1 290.432 2.844 20 30 CFEDMN N#Cc1ccc(CN[C@H]2CCO[C@H]2c2ccccc2)nc1 ZINC000577121987 382848851 /nfs/dbraw/zinc/84/88/51/382848851.db2.gz LEICVTARSKXNNB-IRXDYDNUSA-N 0 1 279.343 2.573 20 30 CFEDMN N#Cc1cccc(NC(=O)CN2CCC[C@@H]3CCC[C@H]32)c1 ZINC000228012832 382843387 /nfs/dbraw/zinc/84/33/87/382843387.db2.gz GVHFESGLGZZJEO-GOEBONIOSA-N 0 1 283.375 2.761 20 30 CFEDMN C=CCCc1ccccc1NC(=O)N[C@@H](C)c1nnc[nH]1 ZINC000337588853 382845893 /nfs/dbraw/zinc/84/58/93/382845893.db2.gz GPIIHTZQGDFTRV-NSHDSACASA-N 0 1 285.351 2.806 20 30 CFEDMN C[C@]1(O)CCCN(Cc2cn3ccccc3c2C#N)CC1 ZINC000230375366 382860573 /nfs/dbraw/zinc/86/05/73/382860573.db2.gz FXCFOVFELJODCD-KRWDZBQOSA-N 0 1 283.375 2.548 20 30 CFEDMN C=C1CCN(CCC(=O)Nc2sccc2C#N)CC1 ZINC000533421180 382897496 /nfs/dbraw/zinc/89/74/96/382897496.db2.gz UBQWSFXWSWNMPC-UHFFFAOYSA-N 0 1 275.377 2.600 20 30 CFEDMN CCN(C(=O)c1ccc(C#N)c(O)c1)c1ccccc1OC ZINC000442652044 382940992 /nfs/dbraw/zinc/94/09/92/382940992.db2.gz RBLVTDQKUZFBNO-UHFFFAOYSA-N 0 1 296.326 2.939 20 30 CFEDMN Cc1c(C#N)cccc1C(=O)N[C@H](C)c1n[nH]c(C(C)C)n1 ZINC000338173242 382941749 /nfs/dbraw/zinc/94/17/49/382941749.db2.gz BUNREYGMAUBVPM-LLVKDONJSA-N 0 1 297.362 2.599 20 30 CFEDMN C[C@@H](O)CN(Cc1ccc(C#N)o1)Cc1ccccc1 ZINC000534344291 382927874 /nfs/dbraw/zinc/92/78/74/382927874.db2.gz YYUXXCBPRLJFHF-CYBMUJFWSA-N 0 1 270.332 2.534 20 30 CFEDMN CC1(C#N)CCN(CCCn2c3ccccc3[nH]c2=O)CC1 ZINC000543739359 382972392 /nfs/dbraw/zinc/97/23/92/382972392.db2.gz CMADKZLDQVUBLV-UHFFFAOYSA-N 0 1 298.390 2.758 20 30 CFEDMN CC[C@H](CC#N)NCc1cccc(-n2cccn2)c1 ZINC000545167961 382975694 /nfs/dbraw/zinc/97/56/94/382975694.db2.gz SCWZZPSIECRORW-CQSZACIVSA-N 0 1 254.337 2.654 20 30 CFEDMN CC(C)(C)c1[nH]n(CC2CCOCC2)c(=O)c1CCC#N ZINC000544846594 382975994 /nfs/dbraw/zinc/97/59/94/382975994.db2.gz AQYXMOBLGLLGIM-UHFFFAOYSA-N 0 1 291.395 2.769 20 30 CFEDMN CCOC(=O)[C@H](C)N(C)CCCCC(C)(C)C#N ZINC000444677269 382976036 /nfs/dbraw/zinc/97/60/36/382976036.db2.gz PKBFTJLEAUQVTP-LBPRGKRZSA-N 0 1 254.374 2.590 20 30 CFEDMN C=C(C)CN1CCC([C@](C)(O)C(F)(F)F)CC1 ZINC000545224444 382977028 /nfs/dbraw/zinc/97/70/28/382977028.db2.gz ADBNEDANFMVILV-NSHDSACASA-N 0 1 251.292 2.588 20 30 CFEDMN Cc1cc(-c2noc(C(C)(C)C#N)n2)cc2nc[nH]c21 ZINC000545729163 382978001 /nfs/dbraw/zinc/97/80/01/382978001.db2.gz FEPOENKKNHBNPM-UHFFFAOYSA-N 0 1 267.292 2.723 20 30 CFEDMN CCOC(=O)c1ccc(CN2CCC(CCC#N)CC2)o1 ZINC000579119176 382984569 /nfs/dbraw/zinc/98/45/69/382984569.db2.gz SEPQTWHVSLKEHV-UHFFFAOYSA-N 0 1 290.363 2.972 20 30 CFEDMN C[C@@H]1CN(Cc2ccc(CC#N)cc2)[C@H](C)[C@H](C)O1 ZINC000446075248 382987623 /nfs/dbraw/zinc/98/76/23/382987623.db2.gz XAIPREACHXDRBW-MCIONIFRSA-N 0 1 258.365 2.750 20 30 CFEDMN C[C@@H](NCC(=O)NC(C1CC1)C1CC1)c1ccc(C#N)cc1 ZINC000338363996 383005534 /nfs/dbraw/zinc/00/55/34/383005534.db2.gz SYNOXWFYFPQOKW-GFCCVEGCSA-N 0 1 297.402 2.514 20 30 CFEDMN COC(=O)c1ccc([C@H](C)N2CCC(CC#N)CC2)o1 ZINC000541952049 382968057 /nfs/dbraw/zinc/96/80/57/382968057.db2.gz NABHPCLEPGRCAW-NSHDSACASA-N 0 1 276.336 2.753 20 30 CFEDMN CC[C@]1(O)CCN(CC#Cc2cccc(Cl)c2)C1 ZINC000495189291 382968928 /nfs/dbraw/zinc/96/89/28/382968928.db2.gz GRFQHTBFEYYOII-HNNXBMFYSA-N 0 1 263.768 2.538 20 30 CFEDMN C[C@H](c1ccccc1)N(C)C(=O)CN1CCC(CC#N)CC1 ZINC000542879817 382970412 /nfs/dbraw/zinc/97/04/12/382970412.db2.gz WKYFYXVVWVTAER-OAHLLOKOSA-N 0 1 299.418 2.832 20 30 CFEDMN CC(C)(C)OC(=O)N1CC(N2CCC(CCC#N)CC2)C1 ZINC000496235257 383077947 /nfs/dbraw/zinc/07/79/47/383077947.db2.gz FIFKFFNYEZEXSM-UHFFFAOYSA-N 0 1 293.411 2.621 20 30 CFEDMN C[C@@H]1CCN(CC(=O)N(CCC#N)c2ccccc2)C[C@H]1C ZINC000245909616 383047203 /nfs/dbraw/zinc/04/72/03/383047203.db2.gz MGQCVHPYZSXDCY-HZPDHXFCSA-N 0 1 299.418 2.911 20 30 CFEDMN C=CCN(Cc1ccccc1F)CC1(C(=O)OC)CC1 ZINC000448523955 383063138 /nfs/dbraw/zinc/06/31/38/383063138.db2.gz CIPJZJZPMJVJCC-UHFFFAOYSA-N 0 1 277.339 2.767 20 30 CFEDMN C(#Cc1ccccc1)CN1CC[C@@H](c2cccnc2)C1 ZINC000580771483 383080587 /nfs/dbraw/zinc/08/05/87/383080587.db2.gz KDMXZRIBLRBTDK-GOSISDBHSA-N 0 1 262.356 2.923 20 30 CFEDMN N#CCC[C@@H](C#N)CNC1CC(OCc2ccccc2)C1 ZINC000580141877 383077344 /nfs/dbraw/zinc/07/73/44/383077344.db2.gz JAMIHQOJVQHQDK-GTPINHCMSA-N 0 1 283.375 2.767 20 30 CFEDMN CN(CCC#N)c1ccc(CN2CCOC[C@H]2C2CC2)cc1 ZINC000245700091 383023652 /nfs/dbraw/zinc/02/36/52/383023652.db2.gz CYAHMXIWNYRIEJ-SFHVURJKSA-N 0 1 299.418 2.647 20 30 CFEDMN C=CCC[C@H](O)C[N@H+]1C[C@@H](C2CCCCC2)C[C@@H]1C(=O)[O-] ZINC000579497163 383025065 /nfs/dbraw/zinc/02/50/65/383025065.db2.gz JKARMQSBGVBZMA-HRCADAONSA-N 0 1 295.423 2.669 20 30 CFEDMN CC(C)(C)OC(=O)N[C@@H]1CCCN([C@@H]2CC[C@H](C#N)C2)C1 ZINC000495794506 383028013 /nfs/dbraw/zinc/02/80/13/383028013.db2.gz MOHMPYKJVFECSE-BFHYXJOUSA-N 0 1 293.411 2.668 20 30 CFEDMN C=CCCCCC[N@@H+]1CCC[C@@](COC)(C(=O)[O-])C1 ZINC000565112343 383175588 /nfs/dbraw/zinc/17/55/88/383175588.db2.gz KFGUEBPLPIGVRZ-OAHLLOKOSA-N 0 1 269.385 2.546 20 30 CFEDMN CC[C@H](C(=O)N(C)[C@H](C)CC#N)N(C)Cc1ccccc1 ZINC000339274077 383188345 /nfs/dbraw/zinc/18/83/45/383188345.db2.gz HQUYDEGJBQOMLQ-GDBMZVCRSA-N 0 1 287.407 2.658 20 30 CFEDMN CC(C)[C@@H]1CN(Cc2ccc(C#N)cn2)CCS1 ZINC000517727159 383191234 /nfs/dbraw/zinc/19/12/34/383191234.db2.gz LBOJQUIUZQWJLO-AWEZNQCLSA-N 0 1 261.394 2.527 20 30 CFEDMN N#Cc1csc(CNC[C@@H]2CCC3(CCCCC3)O2)n1 ZINC000558487716 383154266 /nfs/dbraw/zinc/15/42/66/383154266.db2.gz GLSLTYQFJSCECC-ZDUSSCGKSA-N 0 1 291.420 2.986 20 30 CFEDMN N#CCCNCC1(c2ccccc2Br)CC1 ZINC000514855809 383155920 /nfs/dbraw/zinc/15/59/20/383155920.db2.gz CCCMTMFXDJOQJY-UHFFFAOYSA-N 0 1 279.181 2.984 20 30 CFEDMN C=CCCCCCNC(=O)c1cccc(-c2nnc[nH]2)c1 ZINC000563970999 383169691 /nfs/dbraw/zinc/16/96/91/383169691.db2.gz DVTHWLWSBUKAGU-UHFFFAOYSA-N 0 1 284.363 2.948 20 30 CFEDMN C=CC[C@H](Cc1ccccc1)NC(=O)[C@@H](C)N1CC(C)C1 ZINC000567290114 383260386 /nfs/dbraw/zinc/26/03/86/383260386.db2.gz WJHHOQGMNLDKKL-NVXWUHKLSA-N 0 1 286.419 2.630 20 30 CFEDMN C[C@H]1CN(Cc2ccc(C#N)cc2[N+](=O)[O-])CC[C@@H]1C ZINC000520588788 383266029 /nfs/dbraw/zinc/26/60/29/383266029.db2.gz YDJDLRRATVTYBV-RYUDHWBXSA-N 0 1 273.336 2.944 20 30 CFEDMN C=C(C)CN(CC)CC(=O)N[C@@H]1CCC[C@H](C)[C@@H]1C ZINC000248257358 383221635 /nfs/dbraw/zinc/22/16/35/383221635.db2.gz VCPPOJCPNGOPCJ-SOUVJXGZSA-N 0 1 266.429 2.825 20 30 CFEDMN C=C[C@H](CO)NCc1cnc(CCc2ccccc2)s1 ZINC000449330773 383222810 /nfs/dbraw/zinc/22/28/10/383222810.db2.gz VLKNRDINOVERNO-CQSZACIVSA-N 0 1 288.416 2.565 20 30 CFEDMN Cc1cc(CN[C@H](CC(N)=O)c2ccccc2)ccc1C#N ZINC000339534105 383235990 /nfs/dbraw/zinc/23/59/90/383235990.db2.gz QHBSEUVYWUWNIE-QGZVFWFLSA-N 0 1 293.370 2.573 20 30 CFEDMN COc1cc(C#N)ccc1CN1CC[C@@H](OC(C)C)C1 ZINC000567107504 383242072 /nfs/dbraw/zinc/24/20/72/383242072.db2.gz CUTXLXHEYDFARF-OAHLLOKOSA-N 0 1 274.364 2.566 20 30 CFEDMN CC(C)[C@]1(CO)CCCN(Cc2cc(C#N)ccc2F)C1 ZINC000339706487 383292612 /nfs/dbraw/zinc/29/26/12/383292612.db2.gz OQJSRCKNPWRPGP-QGZVFWFLSA-N 0 1 290.382 2.928 20 30 CFEDMN C[C@@]12CN(Cc3nc(C#N)cs3)C[C@H]1[C@@H]1C=C[C@H]2C1 ZINC000449452709 383302103 /nfs/dbraw/zinc/30/21/03/383302103.db2.gz VDQLHHDLEAPWLH-MPXAEWJHSA-N 0 1 271.389 2.659 20 30 CFEDMN CN(Cc1cc(C#N)cs1)[C@@H](CO)c1ccccc1 ZINC000449458580 383306102 /nfs/dbraw/zinc/30/61/02/383306102.db2.gz WJAULOKWRGNYMQ-HNNXBMFYSA-N 0 1 272.373 2.785 20 30 CFEDMN C[C@@H]([NH2+]Cc1cc(C#N)cs1)c1ncc(C(=O)[O-])s1 ZINC000568392666 383397220 /nfs/dbraw/zinc/39/72/20/383397220.db2.gz UZUKRLSBBCCILC-SSDOTTSWSA-N 0 1 293.373 2.625 20 30 CFEDMN C=C[C@@H]1OCC[C@H]1NCc1nc2ccc(Cl)cc2n1C ZINC000449519462 383352544 /nfs/dbraw/zinc/35/25/44/383352544.db2.gz MTPCMGGCXDOPBG-OCCSQVGLSA-N 0 1 291.782 2.660 20 30 CFEDMN N#CCc1ccccc1NC(=O)Cc1n[nH]c2ccccc21 ZINC000568139599 383360771 /nfs/dbraw/zinc/36/07/71/383360771.db2.gz JEAOWVIXKZLIHJ-UHFFFAOYSA-N 0 1 290.326 2.810 20 30 CFEDMN COC(=O)[C@@H]1CCN(CC#Cc2ccc(Cl)cc2)[C@@H]1C ZINC000469831779 383372006 /nfs/dbraw/zinc/37/20/06/383372006.db2.gz SXZFGJXCKRTHOH-IUODEOHRSA-N 0 1 291.778 2.575 20 30 CFEDMN N#CC1(CSc2nc(Cc3ccccc3)n[nH]2)CC1 ZINC000526035831 383423750 /nfs/dbraw/zinc/42/37/50/383423750.db2.gz IQFGXAXSPBQADK-UHFFFAOYSA-N 0 1 270.361 2.791 20 30 CFEDMN C[C@@]1(CO)CCCN1Cc1ccc(C#N)cc1Cl ZINC000526135181 383433621 /nfs/dbraw/zinc/43/36/21/383433621.db2.gz ACLOLIBFKNRCNO-AWEZNQCLSA-N 0 1 264.756 2.558 20 30 CFEDMN C[C@H](Cc1ccc(O)cc1)N(C)CC1(C#N)CCC1 ZINC000450499117 383439064 /nfs/dbraw/zinc/43/90/64/383439064.db2.gz JXVRMFBEHQPPQY-CYBMUJFWSA-N 0 1 258.365 2.949 20 30 CFEDMN C=CCC1(C(=O)N2C[C@@H](C)N(C)C[C@H]2C)CCCC1 ZINC000450539675 383452449 /nfs/dbraw/zinc/45/24/49/383452449.db2.gz KSVVUOOKNOEIFY-ZIAGYGMSSA-N 0 1 264.413 2.674 20 30 CFEDMN CO[C@H]1CCCC[C@@H]1NCc1cccc(F)c1C#N ZINC000428427193 383469717 /nfs/dbraw/zinc/46/97/17/383469717.db2.gz QLYHXIFTKMODPM-GJZGRUSLSA-N 0 1 262.328 2.745 20 30 CFEDMN C[C@H](c1ccccc1)[C@@H](O)CN(CCC#N)CC1CC1 ZINC000450462287 383419620 /nfs/dbraw/zinc/41/96/20/383419620.db2.gz FQOLBEFUCOKJJJ-PBHICJAKSA-N 0 1 272.392 2.777 20 30 CFEDMN C=CCN(CC=C)C(=O)[C@H](C)N1CCc2cccc(C)c2C1 ZINC000429563150 383545271 /nfs/dbraw/zinc/54/52/71/383545271.db2.gz BIWNIJLLULIGMF-INIZCTEOSA-N 0 1 298.430 2.942 20 30 CFEDMN CC(C)(C)c1n[nH]c(SCC2(C#N)CCC2)n1 ZINC000450761537 383486924 /nfs/dbraw/zinc/48/69/24/383486924.db2.gz MXZNRAWPLFQZES-UHFFFAOYSA-N 0 1 250.371 2.888 20 30 CFEDMN CC(C)(C)c1nc(SCC2(C#N)CCC2)n[nH]1 ZINC000450761537 383486927 /nfs/dbraw/zinc/48/69/27/383486927.db2.gz MXZNRAWPLFQZES-UHFFFAOYSA-N 0 1 250.371 2.888 20 30 CFEDMN C[C@H](CC(=O)Nc1cccc(Cl)c1)NCC1(C#N)CC1 ZINC000570146558 383575327 /nfs/dbraw/zinc/57/53/27/383575327.db2.gz ZEYVECMYSWHLOP-LLVKDONJSA-N 0 1 291.782 2.950 20 30 CFEDMN COC(=O)c1ccccc1CN1CCC(CCC#N)CC1 ZINC000570157574 383576585 /nfs/dbraw/zinc/57/65/85/383576585.db2.gz ARDSRHKNBQOQFA-UHFFFAOYSA-N 0 1 286.375 2.989 20 30 CFEDMN N#Cc1ccc(CN[C@@H](c2cccnc2)C2CC2)nc1 ZINC000570341827 383596121 /nfs/dbraw/zinc/59/61/21/383596121.db2.gz RSJAFAFJVZJVLR-MRXNPFEDSA-N 0 1 264.332 2.589 20 30 CFEDMN C/C(Cl)=C/CN1CC[C@@H](Oc2ccc(C#N)cn2)C1 ZINC000528504411 383558216 /nfs/dbraw/zinc/55/82/16/383558216.db2.gz AMSHCINOLZBFSD-XFVCYKSVSA-N 0 1 277.755 2.549 20 30 CFEDMN C/C(Cl)=C\CN1CC[C@@H](Oc2ccc(C#N)cn2)C1 ZINC000528504409 383558274 /nfs/dbraw/zinc/55/82/74/383558274.db2.gz AMSHCINOLZBFSD-RVFSUOIPSA-N 0 1 277.755 2.549 20 30 CFEDMN Cc1cc(C#N)ccc1CN1CCC[C@@H]1c1ccc(=O)[nH]n1 ZINC000528788972 383638593 /nfs/dbraw/zinc/63/85/93/383638593.db2.gz PAMHNHPHSXZRQC-MRXNPFEDSA-N 0 1 294.358 2.699 20 30 CFEDMN CCO[C@H]1CCN(Cc2ccc(F)c(C#N)c2)C[C@@H]1C ZINC000451547781 383642843 /nfs/dbraw/zinc/64/28/43/383642843.db2.gz UNNCBWBOAUCKKV-LRDDRELGSA-N 0 1 276.355 2.944 20 30 CFEDMN C=C[C@@H]1CCCCN1CC(=O)N(C)Cc1ccccc1C ZINC000489422451 383617320 /nfs/dbraw/zinc/61/73/20/383617320.db2.gz FEZLKXGBMUDIGO-QGZVFWFLSA-N 0 1 286.419 2.994 20 30 CFEDMN CO[C@]1(C)C[C@@H](NCc2ccc(F)cc2C#N)C1(C)C ZINC000451497177 383628706 /nfs/dbraw/zinc/62/87/06/383628706.db2.gz VMCDRXVOJSFBPP-GDBMZVCRSA-N 0 1 276.355 2.991 20 30 CFEDMN C=C(C)CN1CCN(c2cccc3[nH]ccc32)CC1 ZINC000528763509 383629054 /nfs/dbraw/zinc/62/90/54/383629054.db2.gz SDDJSQHKNABYCI-UHFFFAOYSA-N 0 1 255.365 2.866 20 30 CFEDMN CO[C@H]1C[C@H](NCc2ccc(F)cc2C#N)C1(C)C ZINC000451504577 383630886 /nfs/dbraw/zinc/63/08/86/383630886.db2.gz QZXSXJWCCFULLP-KBPBESRZSA-N 0 1 262.328 2.600 20 30 CFEDMN CO[C@]1(C)C[C@@H](NCc2cccc(F)c2C#N)C1(C)C ZINC000451508714 383631491 /nfs/dbraw/zinc/63/14/91/383631491.db2.gz WMCUGFQPRBWGPD-GDBMZVCRSA-N 0 1 276.355 2.991 20 30 CFEDMN C[C@H]1CC(F)(F)CCN1C[C@@H](O)c1ccc(C#N)cc1 ZINC000528771562 383632591 /nfs/dbraw/zinc/63/25/91/383632591.db2.gz XXBOVEWAZRZMPU-SMDDNHRTSA-N 0 1 280.318 2.711 20 30 CFEDMN Cc1csc(C(C#N)C(=O)c2cc(C#N)oc2C)n1 ZINC000435775706 383780335 /nfs/dbraw/zinc/78/03/35/383780335.db2.gz FKXSCLSOPDJSPU-NSHDSACASA-N 0 1 271.301 2.715 20 30 CFEDMN CC[C@H](N[C@H](C)c1ccc(C#N)cc1F)[C@@H](O)C(F)F ZINC000453267218 383823655 /nfs/dbraw/zinc/82/36/55/383823655.db2.gz HLQUWHNNCMAPGS-OXHMUOHRSA-N 0 1 286.297 2.753 20 30 CFEDMN C=C(C)C[C@H](C)C(=O)N1CCN(C)[C@@H](C(C)(C)C)C1 ZINC000640622707 383855038 /nfs/dbraw/zinc/85/50/38/383855038.db2.gz MDDWLRKYALAMFG-UONOGXRCSA-N 0 1 266.429 2.777 20 30 CFEDMN CSc1ccc([C@H](CNCCC#N)N(C)C)cc1 ZINC000573083923 383868183 /nfs/dbraw/zinc/86/81/83/383868183.db2.gz NRAMMNUOMYTEFP-AWEZNQCLSA-N 0 1 263.410 2.514 20 30 CFEDMN COc1ccc(C#N)cc1NC(=O)c1cc(F)ccc1O ZINC000436546695 383833982 /nfs/dbraw/zinc/83/39/82/383833982.db2.gz VMNBJWBFRKVERW-UHFFFAOYSA-N 0 1 286.262 2.664 20 30 CFEDMN C=CCn1cccc1C(=O)Nc1cc(C(C)=O)ccc1O ZINC000436725604 383881970 /nfs/dbraw/zinc/88/19/70/383881970.db2.gz YCTGLPARQJDCJK-UHFFFAOYSA-N 0 1 284.315 2.835 20 30 CFEDMN CC(C)n1cc(C#N)c(=NC(=O)[C@H]2CC23CCCCC3)[nH]1 ZINC000532178902 383987728 /nfs/dbraw/zinc/98/77/28/383987728.db2.gz MAVRDJKBOOZKCA-CYBMUJFWSA-N 0 1 286.379 2.666 20 30 CFEDMN C=CC(C)(C)CCNC(=O)N1CCC(c2cnc[nH]2)CC1 ZINC000637321748 384028040 /nfs/dbraw/zinc/02/80/40/384028040.db2.gz KMDKMLCASHWISP-UHFFFAOYSA-N 0 1 290.411 2.901 20 30 CFEDMN Cc1n[nH]c(C(=O)N[C@@H](CCC#N)c2ccccc2)c1C ZINC000439662900 384037508 /nfs/dbraw/zinc/03/75/08/384037508.db2.gz BGQTWBRHNUMIET-AWEZNQCLSA-N 0 1 282.347 2.801 20 30 CFEDMN C[C@@H]1C[C@H](C)N(CC(=O)Nc2ccc(C#N)c(Cl)c2)C1 ZINC000532970332 384087808 /nfs/dbraw/zinc/08/78/08/384087808.db2.gz HMRKOOLNTCVZLN-MNOVXSKESA-N 0 1 291.782 2.880 20 30 CFEDMN CC(C)C1CCN(CC(=O)NCc2ccc(C#N)cc2)CC1 ZINC000266605573 384207685 /nfs/dbraw/zinc/20/76/85/384207685.db2.gz TXZQMELCZOHMJA-UHFFFAOYSA-N 0 1 299.418 2.542 20 30 CFEDMN C#CCCCN[C@@H](C)c1nc(Cc2ccccc2)no1 ZINC000266543362 384194906 /nfs/dbraw/zinc/19/49/06/384194906.db2.gz HIFMTFLGBIHPDS-ZDUSSCGKSA-N 0 1 269.348 2.724 20 30 CFEDMN OCC1CCN(CC#Cc2ccc(C(F)(F)F)cc2)CC1 ZINC000267073629 384292968 /nfs/dbraw/zinc/29/29/68/384292968.db2.gz PFJIEDWGXQYWGZ-UHFFFAOYSA-N 0 1 297.320 2.761 20 30 CFEDMN CC[C@@H]1CN(Cc2ccc(C#N)cc2F)CCCO1 ZINC000281126183 195114425 /nfs/dbraw/zinc/11/44/25/195114425.db2.gz CNPHSEPGOZIVEB-CQSZACIVSA-N 0 1 262.328 2.698 20 30 CFEDMN CC#CCCCC(=O)N[C@@H](C)c1n[nH]c([C@H](C)CC)n1 ZINC000277975120 384452475 /nfs/dbraw/zinc/45/24/75/384452475.db2.gz VGUMRBOYVVJLLO-NEPJUHHUSA-N 0 1 276.384 2.689 20 30 CFEDMN C=CCN1CC[C@H](N(C)Cc2c(C)oc3ccccc32)C1=O ZINC000281135011 195119133 /nfs/dbraw/zinc/11/91/33/195119133.db2.gz DHCADJPCPMEWOJ-INIZCTEOSA-N 0 1 298.386 2.960 20 30 CFEDMN C=CCCCN1CCOC[C@H]1C[C@H](O)c1cccs1 ZINC000267904945 384486714 /nfs/dbraw/zinc/48/67/14/384486714.db2.gz KMWRPNVHVBKVJH-KGLIPLIRSA-N 0 1 281.421 2.839 20 30 CFEDMN C=CC[C@H]1CCCN(C(=O)[C@H](N)c2cccc(OC)c2)C1 ZINC000638409911 384632238 /nfs/dbraw/zinc/63/22/38/384632238.db2.gz SNEIXLJTLYBSIK-XJKSGUPXSA-N 0 1 288.391 2.510 20 30 CFEDMN C=CC(C)(C)CCNC(=O)[C@@H]1NCCc2ccccc21 ZINC000638455131 384673148 /nfs/dbraw/zinc/67/31/48/384673148.db2.gz RFYMNDSXHMMGJA-OAHLLOKOSA-N 0 1 272.392 2.592 20 30 CFEDMN N#Cc1cccc(C2(NC(=O)C(F)(F)C(F)F)CC2)c1 ZINC000269619786 384806888 /nfs/dbraw/zinc/80/68/88/384806888.db2.gz QHUDDRGFZDTLLR-UHFFFAOYSA-N 0 1 286.228 2.564 20 30 CFEDMN C#CCCCN1CCC[C@H]1c1nc(C(=O)OC)c(C)s1 ZINC000280339855 384980862 /nfs/dbraw/zinc/98/08/62/384980862.db2.gz HRSFAHHJSWCDLD-LBPRGKRZSA-N 0 1 292.404 2.788 20 30 CFEDMN C#CCCOc1ccc(CN[C@@H](C)c2cn[nH]c2)cc1 ZINC000270259800 385033485 /nfs/dbraw/zinc/03/34/85/385033485.db2.gz VWPPTLUKSSZNFX-ZDUSSCGKSA-N 0 1 269.348 2.663 20 30 CFEDMN C#Cc1ccc(CN2CCCN(CC(F)(F)F)CC2)cc1 ZINC000289150566 197248073 /nfs/dbraw/zinc/24/80/73/197248073.db2.gz QDZFEJPBIJNTRS-UHFFFAOYSA-N 0 1 296.336 2.738 20 30 CFEDMN C=C[C@@H](CC(=O)N[C@@H](C)c1n[nH]c(CC)n1)c1ccccc1 ZINC000270595422 385159171 /nfs/dbraw/zinc/15/91/71/385159171.db2.gz CEHMCPLKSSIODN-STQMWFEESA-N 0 1 298.390 2.904 20 30 CFEDMN C#CCC[N@H+](Cc1cccc(OC)c1)C[C@@H]1CCCO1 ZINC000270635496 385171309 /nfs/dbraw/zinc/17/13/09/385171309.db2.gz QZPULYAKJOVXPL-KRWDZBQOSA-N 0 1 273.376 2.700 20 30 CFEDMN C=CCOCCN1C[C@H](C(F)(F)F)[C@@H](C(F)(F)F)C1 ZINC000645089890 385181088 /nfs/dbraw/zinc/18/10/88/385181088.db2.gz WCCLKOASIVFXTH-IUCAKERBSA-N 0 1 291.235 2.862 20 30 CFEDMN C=CCC(CC=C)C(=O)N[C@H](C)c1n[nH]c(C(C)C)n1 ZINC000270777663 385221698 /nfs/dbraw/zinc/22/16/98/385221698.db2.gz RWEGGALLQAEYRI-LLVKDONJSA-N 0 1 276.384 2.874 20 30 CFEDMN CC(C)(C#N)CCCN1CCN(c2cncc(F)c2)CC1 ZINC000270927800 385273193 /nfs/dbraw/zinc/27/31/93/385273193.db2.gz PUGBTKVDYHRXRU-UHFFFAOYSA-N 0 1 290.386 2.673 20 30 CFEDMN Cc1ccoc1CN(C)CCOc1ccccc1C#N ZINC000271186593 385367935 /nfs/dbraw/zinc/36/79/35/385367935.db2.gz NRKOANKUFTVUNC-UHFFFAOYSA-N 0 1 270.332 2.971 20 30 CFEDMN CCc1nc([C@H](C)N[C@H](C)c2ccc(C#N)c(F)c2)n[nH]1 ZINC000271947784 385407762 /nfs/dbraw/zinc/40/77/62/385407762.db2.gz NWBTXPROKOEMMJ-ZJUUUORDSA-N 0 1 287.342 2.790 20 30 CFEDMN C=CC[C@@H](C)NC(=O)N1CCC[C@@H](c2cc(C)[nH]n2)C1 ZINC000282899932 385407912 /nfs/dbraw/zinc/40/79/12/385407912.db2.gz XYCRRBIPOLLNRK-DGCLKSJQSA-N 0 1 276.384 2.572 20 30 CFEDMN C=CC[C@@H]1CCCN(Cc2cnc(OC)s2)C1 ZINC000639311669 385438196 /nfs/dbraw/zinc/43/81/96/385438196.db2.gz USZFUQHDFKLZBL-LLVKDONJSA-N 0 1 252.383 2.940 20 30 CFEDMN C=CCOCCCC(=O)Nc1cc(C(C)=O)ccc1O ZINC000272083639 385443206 /nfs/dbraw/zinc/44/32/06/385443206.db2.gz CADKSZKAOMEKMX-UHFFFAOYSA-N 0 1 277.320 2.516 20 30 CFEDMN C#CCCCCC(=O)Nc1c(C)n[nH]c1C(F)F ZINC000272278636 385495780 /nfs/dbraw/zinc/49/57/80/385495780.db2.gz BFPSNEIACVHHPR-UHFFFAOYSA-N 0 1 255.268 2.788 20 30 CFEDMN CC(C)(C)[C@@H]1CCN(Cc2ccccc2C#N)C[C@@H]1O ZINC000272336839 385513307 /nfs/dbraw/zinc/51/33/07/385513307.db2.gz ODKFAEVOMDHYHZ-CVEARBPZSA-N 0 1 272.392 2.787 20 30 CFEDMN C=CCN(CCc1ccccc1)[C@H]1CCN(C2CCC2)C1=O ZINC000639461979 385544770 /nfs/dbraw/zinc/54/47/70/385544770.db2.gz YSDIWHSUMZIFBE-SFHVURJKSA-N 0 1 298.430 2.871 20 30 CFEDMN CN(Cc1cn2ccccc2c1C#N)C[C@@H]1CCCC[C@@H]1O ZINC000272628619 385578969 /nfs/dbraw/zinc/57/89/69/385578969.db2.gz ZNDJUBHZJFBABJ-KSSFIOAISA-N 0 1 297.402 2.794 20 30 CFEDMN C=CCS(=O)(=O)CCN[C@H](C)c1ccc(CC)cc1 ZINC000272795715 385617467 /nfs/dbraw/zinc/61/74/67/385617467.db2.gz AOSOQFXYAXNEIM-CYBMUJFWSA-N 0 1 281.421 2.500 20 30 CFEDMN C=CCS(=O)(=O)CCN[C@H](C)c1cc(C)cc(C)c1 ZINC000272852069 385633019 /nfs/dbraw/zinc/63/30/19/385633019.db2.gz LJMVSYXAXQSKBC-CQSZACIVSA-N 0 1 281.421 2.555 20 30 CFEDMN CO[C@H]1[C@H]2[C@H]3C[C@@H]1C[C@@H]3CN2Cc1cc(F)ccc1C#N ZINC000286540648 385644276 /nfs/dbraw/zinc/64/42/76/385644276.db2.gz OECCDXIKPVEPMW-QUESIWGOSA-N 0 1 286.350 2.553 20 30 CFEDMN C#CCOc1cc(F)ccc1NC(=O)c1cn[nH]c1C1CC1 ZINC000274525549 385817161 /nfs/dbraw/zinc/81/71/61/385817161.db2.gz PXNURQHDLYQPRT-UHFFFAOYSA-N 0 1 299.305 2.691 20 30 CFEDMN C=C(C)CCN1CCOC[C@@H]1C[C@H](O)c1cccs1 ZINC000274817131 385877009 /nfs/dbraw/zinc/87/70/09/385877009.db2.gz XBJRVTYXPHRXIN-KBPBESRZSA-N 0 1 281.421 2.839 20 30 CFEDMN C=CCC[C@@H](C(=O)N1CCCN(C)CC1)c1ccccc1 ZINC000275118112 385938607 /nfs/dbraw/zinc/93/86/07/385938607.db2.gz OPTOFJFFNOPVCU-QGZVFWFLSA-N 0 1 286.419 2.901 20 30 CFEDMN C=CC[C@H](C(=O)N1CCCN(C)CC1)c1ccccc1 ZINC000275137339 385942077 /nfs/dbraw/zinc/94/20/77/385942077.db2.gz TZQHEMWNVUGODE-INIZCTEOSA-N 0 1 272.392 2.510 20 30 CFEDMN CN(Cc1cc(C#N)n(C)c1)C[C@H]1OCCc2ccccc21 ZINC000276722012 386024863 /nfs/dbraw/zinc/02/48/63/386024863.db2.gz FPGLJTXYTYCEMX-GOSISDBHSA-N 0 1 295.386 2.643 20 30 CFEDMN Cc1ccc2c(c1C)OC[C@H]2NCc1cc(C#N)n(C)c1 ZINC000277000556 386104598 /nfs/dbraw/zinc/10/45/98/386104598.db2.gz ZHYDNQZVWIGZKC-MRXNPFEDSA-N 0 1 281.359 2.737 20 30 CFEDMN CC1(C2CCN(CC#Cc3ccccc3)CC2)OCCO1 ZINC000277012794 386107744 /nfs/dbraw/zinc/10/77/44/386107744.db2.gz PZKDFRVKRKBZGK-UHFFFAOYSA-N 0 1 285.387 2.513 20 30 CFEDMN C=C[C@@H](CC(=O)N1CCN(CC)C[C@H]1C)c1ccccc1 ZINC000288215998 197028667 /nfs/dbraw/zinc/02/86/67/197028667.db2.gz CPGJMTRLVIICTQ-CVEARBPZSA-N 0 1 286.419 2.899 20 30 CFEDMN C#C[C@H](NC(=O)c1c[nH]c2ccccc2c1=O)C(C)(C)C ZINC000288146661 197014239 /nfs/dbraw/zinc/01/42/39/197014239.db2.gz JITBZSONBAVTTP-AWEZNQCLSA-N 0 1 282.343 2.718 20 30 CFEDMN CCCCCCCC(=O)N1CCC[N@@H+](CCCOC)CC1 ZINC000363657083 260014260 /nfs/dbraw/zinc/01/42/60/260014260.db2.gz UKEYOXBMEAPUEC-UHFFFAOYSA-N 0 1 298.471 2.918 20 30 CFEDMN C=CC[C@H](C)NC(=O)NC[C@@H](c1ccco1)N(CC)CC ZINC000117040001 260020562 /nfs/dbraw/zinc/02/05/62/260020562.db2.gz DUQIVXHEQQEJRC-KBPBESRZSA-N 0 1 293.411 2.926 20 30 CFEDMN C=CCCN(C)C(=O)c1cccc(Br)c1O ZINC000682544461 542566372 /nfs/dbraw/zinc/56/63/72/542566372.db2.gz SWTSYSROWNVAMT-UHFFFAOYSA-N 0 1 284.153 2.803 20 30 CFEDMN C=CC[C@@H](CC)NC(=O)c1n[nH]c2ccc([N+](=O)[O-])cc21 ZINC000281643971 195320180 /nfs/dbraw/zinc/32/01/80/195320180.db2.gz HPODCQLZSXXWOK-SECBINFHSA-N 0 1 288.307 2.556 20 30 CFEDMN N#Cc1ccccc1CN1CCC2(CCOCC2)CC1 ZINC000283980024 195955141 /nfs/dbraw/zinc/95/51/41/195955141.db2.gz CSVLNTHLSDGFIO-UHFFFAOYSA-N 0 1 270.376 2.951 20 30 CFEDMN Cc1cc(C[N@@H+]2C[C@H](C(=O)[O-])CC[C@@H]2C)ccc1C#N ZINC000422637292 533635512 /nfs/dbraw/zinc/63/55/12/533635512.db2.gz QTOIAMPDVGGFQJ-SWLSCSKDSA-N 0 1 272.348 2.552 20 30 CFEDMN N#Cc1ccc(F)cc1CN1CCCCC[C@@H]1CCO ZINC000342022818 130205103 /nfs/dbraw/zinc/20/51/03/130205103.db2.gz PSSJEBLEHPHDRI-MRXNPFEDSA-N 0 1 276.355 2.824 20 30 CFEDMN COc1ccc([C@H](CCO)NCC#Cc2ccccc2)cc1 ZINC000192149434 130383375 /nfs/dbraw/zinc/38/33/75/130383375.db2.gz BJYYAOGJERTCFU-IBGZPJMESA-N 0 1 295.382 2.760 20 30 CFEDMN N#Cc1nccnc1NC[C@@H](c1ccco1)N1CCCCC1 ZINC000263753530 131322681 /nfs/dbraw/zinc/32/26/81/131322681.db2.gz FNOYCJHGSDGRNO-AWEZNQCLSA-N 0 1 297.362 2.580 20 30 CFEDMN Cc1ccc(C#N)cc1NC(=O)N[C@H]1CCCc2cn[nH]c21 ZINC000268849602 132076671 /nfs/dbraw/zinc/07/66/71/132076671.db2.gz CHTUCSSNCBXEDP-ZDUSSCGKSA-N 0 1 295.346 2.789 20 30 CFEDMN Cc1cc(C[C@H](C)Nc2c(C#N)nnc3ccccc32)[nH]n1 ZINC000269002145 132098608 /nfs/dbraw/zinc/09/86/08/132098608.db2.gz YJCLAJQIFABACZ-JTQLQIEISA-N 0 1 292.346 2.576 20 30 CFEDMN C=CCN(CC)C(=O)[C@H]1CCc2[nH]c(C(C)C)nc2C1 ZINC000372455175 393449361 /nfs/dbraw/zinc/44/93/61/393449361.db2.gz QQUMBTUUAGCVIJ-LBPRGKRZSA-N 0 1 275.396 2.673 20 30 CFEDMN CC1(C)CCC[C@]1(O)CNC(=O)[C@H]1CCCc2[nH]ncc21 ZINC000329512644 393540007 /nfs/dbraw/zinc/54/00/07/393540007.db2.gz NMOHIRHXIAPZOQ-ZBEGNZNMSA-N 0 1 291.395 2.727 20 30 CFEDMN Cc1nc([C@H](C)NC(=O)N[C@@H]2C[C@H]2C2CCCCC2)n[nH]1 ZINC000329522294 393540490 /nfs/dbraw/zinc/54/04/90/393540490.db2.gz RBZIMZRYPBGNHL-TVYUQYBPSA-N 0 1 291.399 2.647 20 30 CFEDMN Cc1cnc(NC(=O)N2CCCc3occc3C2)o1 ZINC000329553935 393544077 /nfs/dbraw/zinc/54/40/77/393544077.db2.gz KGCAIWTUXJDYCX-UHFFFAOYSA-N 0 1 261.281 2.570 20 30 CFEDMN C=CCCCNCc1ncc(Br)s1 ZINC000308339920 393516071 /nfs/dbraw/zinc/51/60/71/393516071.db2.gz QJUGXFSZMNSJNO-UHFFFAOYSA-N 0 1 261.188 2.961 20 30 CFEDMN N#Cc1ccc(CN2CCSC3(CCOCC3)C2)s1 ZINC000186479294 393545364 /nfs/dbraw/zinc/54/53/64/393545364.db2.gz AZHCHFYDNJCARA-UHFFFAOYSA-N 0 1 294.445 2.718 20 30 CFEDMN N#Cc1ccc(CNCc2ccc([N+](=O)[O-])cc2)cc1 ZINC000037505737 393531785 /nfs/dbraw/zinc/53/17/85/393531785.db2.gz TUWNACYUOSEOTE-UHFFFAOYSA-N 0 1 267.288 2.756 20 30 CFEDMN CCCCNC(=O)[C@H](C)N[C@H](C)c1ccc(C#N)cc1 ZINC000037502340 393532170 /nfs/dbraw/zinc/53/21/70/393532170.db2.gz VHGZGHKXVZJHCK-OLZOCXBDSA-N 0 1 273.380 2.514 20 30 CFEDMN CC(C)C[C@@H](CO)N(C)Cc1ccc(F)cc1C#N ZINC000185340723 393532777 /nfs/dbraw/zinc/53/27/77/393532777.db2.gz UCWOTUOLMKGKDK-HNNXBMFYSA-N 0 1 264.344 2.536 20 30 CFEDMN C=C(C)CN(CCCCS(C)(=O)=O)Cc1ccccc1 ZINC000684207921 542776505 /nfs/dbraw/zinc/77/65/05/542776505.db2.gz DGMQPHNXEBMKDP-UHFFFAOYSA-N 0 1 295.448 2.890 20 30 CFEDMN CCCN(Cc1ccc(C#N)cc1)C(=O)CCc1cnc[nH]1 ZINC000188576078 393565612 /nfs/dbraw/zinc/56/56/12/393565612.db2.gz IKQAZYLWWRFVCJ-UHFFFAOYSA-N 0 1 296.374 2.653 20 30 CFEDMN C=CCN(C(=O)CN(CC)C1CC1)c1ccccc1 ZINC000192829151 393633805 /nfs/dbraw/zinc/63/38/05/393633805.db2.gz QPFISCXLHKLOCH-UHFFFAOYSA-N 0 1 258.365 2.690 20 30 CFEDMN CC(=Cc1ccccc1F)c1nc(C)c(C#N)c(=O)[nH]1 ZINC000193614726 393658078 /nfs/dbraw/zinc/65/80/78/393658078.db2.gz NFZZVYSMEOXQJS-CLFYSBASSA-N 0 1 269.279 2.650 20 30 CFEDMN C[C@@H]1C[N@@H+](CCC2(C#N)CCCCC2)C[C@]2(CCOC2)O1 ZINC000411667901 393737184 /nfs/dbraw/zinc/73/71/84/393737184.db2.gz XFSMZGYYWNYKSV-WBVHZDCISA-N 0 1 292.423 2.730 20 30 CFEDMN C[C@@H]1CN(CCC2(C#N)CCCCC2)C[C@]2(CCOC2)O1 ZINC000411667901 393737185 /nfs/dbraw/zinc/73/71/85/393737185.db2.gz XFSMZGYYWNYKSV-WBVHZDCISA-N 0 1 292.423 2.730 20 30 CFEDMN C[C@@H](CCC#N)N[C@H](CO)c1cccc(Cl)c1F ZINC000411680658 393738244 /nfs/dbraw/zinc/73/82/44/393738244.db2.gz YATWDJYWENLSNO-JOYOIKCWSA-N 0 1 270.735 2.794 20 30 CFEDMN N#CC1(CCN2CCO[C@]3(CCCOC3)C2)CCCCC1 ZINC000411717913 393741584 /nfs/dbraw/zinc/74/15/84/393741584.db2.gz ILLOYPKSJFVQRB-QGZVFWFLSA-N 0 1 292.423 2.732 20 30 CFEDMN N#CC1(CCN2CCC[C@@](F)(CO)C2)CCCCC1 ZINC000411730476 393743839 /nfs/dbraw/zinc/74/38/39/393743839.db2.gz OHVHACISKBUGAO-HNNXBMFYSA-N 0 1 268.376 2.647 20 30 CFEDMN N#CC1(CCCN2CCO[C@@H](C3CCC3)C2)CCOCC1 ZINC000411850864 393754993 /nfs/dbraw/zinc/75/49/93/393754993.db2.gz PNNQOJFTJVHFCE-MRXNPFEDSA-N 0 1 292.423 2.588 20 30 CFEDMN C=CCSCCNCc1ccn(-c2ccccc2)n1 ZINC000222927456 393764193 /nfs/dbraw/zinc/76/41/93/393764193.db2.gz ZKGKUKQSBCZJIM-UHFFFAOYSA-N 0 1 273.405 2.881 20 30 CFEDMN CC(C)c1[nH]ncc1C(=O)Nc1cccc(CC#N)c1 ZINC000412400141 393767664 /nfs/dbraw/zinc/76/76/64/393767664.db2.gz JQPKITPXEJFQLQ-UHFFFAOYSA-N 0 1 268.320 2.851 20 30 CFEDMN C=CCn1c(S[C@H](C)c2n[nH]c(C)n2)nnc1C1CC1 ZINC000412980712 393777336 /nfs/dbraw/zinc/77/73/36/393777336.db2.gz SOTUZONKKYJPBC-MRVPVSSYSA-N 0 1 290.396 2.621 20 30 CFEDMN N#Cc1ccc(C[N@@H+]2CCC[C@H]2C(=O)[O-])c(C(F)(F)F)c1 ZINC000414687225 393802165 /nfs/dbraw/zinc/80/21/65/393802165.db2.gz WSHOUHICSOKIMG-LBPRGKRZSA-N 0 1 298.264 2.626 20 30 CFEDMN C=CCOCCN[C@H](c1ncc(C)s1)C1CC1 ZINC000339085157 393816327 /nfs/dbraw/zinc/81/63/27/393816327.db2.gz QCGRQVUNKDDOLH-LBPRGKRZSA-N 0 1 252.383 2.695 20 30 CFEDMN Cc1nccc(N2CCC(F)(C#N)CC2)c1Cl ZINC000343220065 393881937 /nfs/dbraw/zinc/88/19/37/393881937.db2.gz GSSWOWPFJMVMOC-UHFFFAOYSA-N 0 1 253.708 2.876 20 30 CFEDMN C=C[C@](C)(CC)C(=O)NCCN(CC)CCC(F)(F)F ZINC000427209941 393892230 /nfs/dbraw/zinc/89/22/30/393892230.db2.gz QDCQUJWCCJPWMF-CYBMUJFWSA-N 0 1 294.361 2.979 20 30 CFEDMN CCOC[C@H](NCc1cccc(F)c1C#N)C(C)C ZINC000428950143 393924691 /nfs/dbraw/zinc/92/46/91/393924691.db2.gz ZRMMZXUCNBNBHL-HNNXBMFYSA-N 0 1 264.344 2.848 20 30 CFEDMN CC[C@@H](C#N)S(=O)(=O)Nc1c(F)cccc1NC(C)C ZINC000416961097 393946702 /nfs/dbraw/zinc/94/67/02/393946702.db2.gz RPUILZWCQSBWMF-JTQLQIEISA-N 0 1 299.371 2.690 20 30 CFEDMN COc1cc(C#N)ccc1CN1C[C@@H](C)S[C@@H](C)C1 ZINC000121065737 393947067 /nfs/dbraw/zinc/94/70/67/393947067.db2.gz BJCRDKKNIYHYGU-TXEJJXNPSA-N 0 1 276.405 2.893 20 30 CFEDMN C=CCCCN(C)CC(=O)Nc1oc(C)c(C)c1C#N ZINC000121077789 393947990 /nfs/dbraw/zinc/94/79/90/393947990.db2.gz VCTMHBJSBZBKGR-UHFFFAOYSA-N 0 1 275.352 2.605 20 30 CFEDMN CCN(C[C@@H](C)C#N)C(=O)c1cnc(-c2ccccc2)[nH]1 ZINC000346177414 393922457 /nfs/dbraw/zinc/92/24/57/393922457.db2.gz NZFXNRKZLGHVDU-LBPRGKRZSA-N 0 1 282.347 2.698 20 30 CFEDMN COc1cc2c(cc1F)CN(CCCSCC#N)CC2 ZINC000348800602 393959155 /nfs/dbraw/zinc/95/91/55/393959155.db2.gz UJWKLXHEZJKXSI-UHFFFAOYSA-N 0 1 294.395 2.839 20 30 CFEDMN C=CCC[C@H](O)CN1CCO[C@@H](C2CCCCC2)C1 ZINC000349252893 393965843 /nfs/dbraw/zinc/96/58/43/393965843.db2.gz VJDOXSLEQHKGAK-JKSUJKDBSA-N 0 1 267.413 2.595 20 30 CFEDMN C[C@H](N[C@H]1CC[C@@H](C#N)C1)c1nc2c(s1)CCC2 ZINC000349312753 393967398 /nfs/dbraw/zinc/96/73/98/393967398.db2.gz MZXKDCXJYGXIMD-AXFHLTTASA-N 0 1 261.394 2.975 20 30 CFEDMN COc1cc(-c2nc3ccc(C#N)cc3[nH]2)cc2c1OCO2 ZINC000123224038 393977839 /nfs/dbraw/zinc/97/78/39/393977839.db2.gz WUZADGGYKKQOCF-UHFFFAOYSA-N 0 1 293.282 2.839 20 30 CFEDMN CC(C)CCN(CCC#N)C(=O)c1c(O)cccc1F ZINC000123229614 393978405 /nfs/dbraw/zinc/97/84/05/393978405.db2.gz KFGPBZMJALKOAP-UHFFFAOYSA-N 0 1 278.327 2.933 20 30 CFEDMN C#CCCN(Cc1ccccc1OC)C[C@H]1CCCO1 ZINC000269895377 394007927 /nfs/dbraw/zinc/00/79/27/394007927.db2.gz MUHXJIUBRHCTMW-MRXNPFEDSA-N 0 1 273.376 2.700 20 30 CFEDMN C#CCN(CCc1cncs1)Cc1ccc(F)cc1 ZINC000491299309 394047349 /nfs/dbraw/zinc/04/73/49/394047349.db2.gz ZEQVSUBXZKWORZ-UHFFFAOYSA-N 0 1 274.364 2.960 20 30 CFEDMN C#CCN1CCC[C@H]1COC(=O)[C@@H](CC)CC(F)(F)F ZINC000491462134 394051486 /nfs/dbraw/zinc/05/14/86/394051486.db2.gz HIBMMFDWIHSQDO-RYUDHWBXSA-N 0 1 291.313 2.606 20 30 CFEDMN N#CCCN(Cc1ccco1)C(=O)c1cccc2c[nH]nc21 ZINC000355254594 394061055 /nfs/dbraw/zinc/06/10/55/394061055.db2.gz QLJJEFMVHXSTNR-UHFFFAOYSA-N 0 1 294.314 2.712 20 30 CFEDMN C=C(C)CN(CC)C(=O)CNC1(c2ccccc2)CC1 ZINC000355388552 394064312 /nfs/dbraw/zinc/06/43/12/394064312.db2.gz FWWXGKMLLMAJTJ-UHFFFAOYSA-N 0 1 272.392 2.690 20 30 CFEDMN CO[C@H]1CCN(Cc2ccc(F)c(C#N)c2)[C@@H](C)C1 ZINC000281852134 394084359 /nfs/dbraw/zinc/08/43/59/394084359.db2.gz ZHRKBNMINMYXNJ-FZMZJTMJSA-N 0 1 262.328 2.697 20 30 CFEDMN CCN1C[C@H](C)N(C(=O)/C=C\c2ccc(C#N)cc2)[C@@H](C)C1 ZINC000493195393 394176531 /nfs/dbraw/zinc/17/65/31/394176531.db2.gz VBGUTYPQWSNYKX-KZZSIXTMSA-N 0 1 297.402 2.513 20 30 CFEDMN C[C@H]1CCCN(Cc2ccc(C#N)cc2Cl)[C@@H]1CO ZINC000439431835 394115671 /nfs/dbraw/zinc/11/56/71/394115671.db2.gz RTYMFSYSDGFTQB-XHDPSFHLSA-N 0 1 278.783 2.804 20 30 CFEDMN C=CCN(CCC#N)C(=O)[C@@H](CC)N(C)Cc1ccccc1 ZINC000359379848 394131422 /nfs/dbraw/zinc/13/14/22/394131422.db2.gz LPYLCIFCBCHGDM-QGZVFWFLSA-N 0 1 299.418 2.825 20 30 CFEDMN C=CCN1C(=O)N=NC1SCCCc1ccsc1 ZINC000360937159 394161283 /nfs/dbraw/zinc/16/12/83/394161283.db2.gz YFGHOVRFYOTPQT-UHFFFAOYSA-N 0 1 281.406 2.956 20 30 CFEDMN Cc1cc(C)n2c(CNCc3ccc(C#N)s3)cnc2n1 ZINC000421355327 394197337 /nfs/dbraw/zinc/19/73/37/394197337.db2.gz UFSYKLWXZGHUGZ-UHFFFAOYSA-N 0 1 297.387 2.569 20 30 CFEDMN C=C[C@@H](CC(=O)N[C@@H](C)c1n[nH]c(C)n1)c1ccccc1 ZINC000286534381 394197613 /nfs/dbraw/zinc/19/76/13/394197613.db2.gz YTSKXZPIVOMPRA-AAEUAGOBSA-N 0 1 284.363 2.650 20 30 CFEDMN C[C@H]1C[C@@H](CO)CCN1CC#Cc1ccc(Cl)cc1 ZINC000289016767 394215062 /nfs/dbraw/zinc/21/50/62/394215062.db2.gz NRBADQQWFVXJDH-ZFWWWQNUSA-N 0 1 277.795 2.784 20 30 CFEDMN N#Cc1ccc(CNCc2ccc3c(c2)OCO3)s1 ZINC000135666853 394225399 /nfs/dbraw/zinc/22/53/99/394225399.db2.gz ZINUSWVJJLOKNK-UHFFFAOYSA-N 0 1 272.329 2.638 20 30 CFEDMN C=CCC[C@H](NC[C@H](O)C(F)(F)F)c1ccco1 ZINC000286055303 394185306 /nfs/dbraw/zinc/18/53/06/394185306.db2.gz LENBPXHHAYQRPS-ONGXEEELSA-N 0 1 263.259 2.800 20 30 CFEDMN Fc1ccc(C#CCN2CCC[C@@H](c3cc[nH]n3)C2)cc1 ZINC000156257457 394331401 /nfs/dbraw/zinc/33/14/01/394331401.db2.gz BKSYDHBUPAFTOI-OAHLLOKOSA-N 0 1 283.350 2.780 20 30 CFEDMN CC[C@@H](NCc1ccc(C#N)c(F)c1)c1cnn(C)c1 ZINC000453373906 394391842 /nfs/dbraw/zinc/39/18/42/394391842.db2.gz HGVLJYJGCBHSDU-OAHLLOKOSA-N 0 1 272.327 2.672 20 30 CFEDMN CC[C@H](NCc1ccc(C#N)c(F)c1)c1cnn(C)c1 ZINC000453373904 394391924 /nfs/dbraw/zinc/39/19/24/394391924.db2.gz HGVLJYJGCBHSDU-HNNXBMFYSA-N 0 1 272.327 2.672 20 30 CFEDMN C[C@]1(F)CCCN(CCC(=O)Nc2sccc2C#N)C1 ZINC000451119468 394359937 /nfs/dbraw/zinc/35/99/37/394359937.db2.gz GTQXOLQGONRLHH-AWEZNQCLSA-N 0 1 295.383 2.772 20 30 CFEDMN CC[C@@H](C(=O)Nc1ccc(C(C)(C)C#N)cc1)N(C)C ZINC000177785296 394385010 /nfs/dbraw/zinc/38/50/10/394385010.db2.gz AGIVHNDGAQYBBY-AWEZNQCLSA-N 0 1 273.380 2.766 20 30 CFEDMN C[C@H](CN(C)Cn1cccc(C#N)c1=O)C1CCCCC1 ZINC000530109210 394452222 /nfs/dbraw/zinc/45/22/22/394452222.db2.gz XYILSJNCJHVGDJ-CQSZACIVSA-N 0 1 287.407 2.826 20 30 CFEDMN CCC#C[C@H](C)N[C@@H](CO)c1ccc(Cl)cc1 ZINC000685588533 542932561 /nfs/dbraw/zinc/93/25/61/542932561.db2.gz ITIOIGHWEWEMPG-FZMZJTMJSA-N 0 1 251.757 2.765 20 30 CFEDMN COCc1ccc(NC(=O)c2cn[nH]c2C(C)C)cc1C#N ZINC000530272126 394501623 /nfs/dbraw/zinc/50/16/23/394501623.db2.gz DQQHSOUJTSXBGN-UHFFFAOYSA-N 0 1 298.346 2.803 20 30 CFEDMN N#Cc1ccc(OC2CCN(CC3(F)CC3)CC2)cc1 ZINC000530278196 394502120 /nfs/dbraw/zinc/50/21/20/394502120.db2.gz MANYDCDUHMYXCC-UHFFFAOYSA-N 0 1 274.339 2.904 20 30 CFEDMN COC(=O)c1cccc(CN2C[C@@H]3CCC[C@H]3C2)c1C#N ZINC000535965097 394551032 /nfs/dbraw/zinc/55/10/32/394551032.db2.gz ZEXHMQAQTKZAKG-STQMWFEESA-N 0 1 284.359 2.577 20 30 CFEDMN CC(C)(C#N)CCN1CCN(Cc2ccsc2)CC1 ZINC000540686742 394651469 /nfs/dbraw/zinc/65/14/69/394651469.db2.gz ZHGSMPZLVJSQJI-UHFFFAOYSA-N 0 1 277.437 2.806 20 30 CFEDMN COC(=O)c1cccc(CN(C)[C@@H](C)C2CC2)c1C#N ZINC000555672731 394980285 /nfs/dbraw/zinc/98/02/85/394980285.db2.gz XAMBHSRETMHGCW-NSHDSACASA-N 0 1 272.348 2.575 20 30 CFEDMN C=CCOc1ccc(C[N@H+](C)[C@@H](CC)C(=O)[O-])cc1 ZINC000648400490 395126880 /nfs/dbraw/zinc/12/68/80/395126880.db2.gz XLTJQOCRVATCGU-AWEZNQCLSA-N 0 1 263.337 2.546 20 30 CFEDMN C=CCOc1ccc(CNCc2cncn2C)cc1Cl ZINC000289763528 542983727 /nfs/dbraw/zinc/98/37/27/542983727.db2.gz IGGRPOGBAYKRHX-UHFFFAOYSA-N 0 1 291.782 2.928 20 30 CFEDMN COCC#CCN(C)[C@@H](C)CSc1ccccc1 ZINC000649665132 395549358 /nfs/dbraw/zinc/54/93/58/395549358.db2.gz BYVCWQULYZQPDS-AWEZNQCLSA-N 0 1 263.406 2.749 20 30 CFEDMN C=CCN1CC[C@H](N[C@@H](CC)c2ccccc2F)C1=O ZINC000649740499 395564013 /nfs/dbraw/zinc/56/40/13/395564013.db2.gz BLEIZSQGRAOYGR-GJZGRUSLSA-N 0 1 276.355 2.653 20 30 CFEDMN C=CCCC[C@@H](C)NC(=O)c1[nH]nc2c1CCCC2 ZINC000182643413 543031771 /nfs/dbraw/zinc/03/17/71/543031771.db2.gz BMLBYCNMAQBODF-LLVKDONJSA-N 0 1 261.369 2.763 20 30 CFEDMN N#CC(C(=O)c1coc(C2CCC2)n1)c1ccccn1 ZINC000192505176 543083127 /nfs/dbraw/zinc/08/31/27/543083127.db2.gz FHTAXHKRSHVTPK-NSHDSACASA-N 0 1 267.288 2.827 20 30 CFEDMN CC(C)CCNC(=O)[C@@H](C)N[C@@H](C)c1cccc(C#N)c1 ZINC000610346306 397587686 /nfs/dbraw/zinc/58/76/86/397587686.db2.gz SMNPNDZOMHZBDZ-UONOGXRCSA-N 0 1 287.407 2.760 20 30 CFEDMN CCC#C[C@@H](C)N1CCN(CC(F)(F)F)C[C@@H](C)C1 ZINC000650201839 397727814 /nfs/dbraw/zinc/72/78/14/397727814.db2.gz ZPRIXVKICKQSRF-CHWSQXEVSA-N 0 1 276.346 2.604 20 30 CFEDMN C=CCCC[N@@H+]1CC[C@H](C(=O)[O-])[C@H]2CCCC[C@@H]21 ZINC000656766443 413195592 /nfs/dbraw/zinc/19/55/92/413195592.db2.gz RVJHKUVFIGVTGG-RDBSUJKOSA-N 0 1 251.370 2.918 20 30 CFEDMN N#Cc1ccc(CNCc2ccccc2Cn2ccnc2)o1 ZINC000343156425 154128121 /nfs/dbraw/zinc/12/81/21/154128121.db2.gz YHMAVDYBHDUZJA-UHFFFAOYSA-N 0 1 292.342 2.686 20 30 CFEDMN C=CC[C@@H]1CCCC[C@H]1NS(=O)(=O)c1ccccc1O ZINC000657036646 413292490 /nfs/dbraw/zinc/29/24/90/413292490.db2.gz KZTJMDUGDBFXCW-CHWSQXEVSA-N 0 1 295.404 2.805 20 30 CFEDMN N#Cc1cccc(CN2CCCC[C@H]2CN2CCCC2=O)c1 ZINC000363521712 156177110 /nfs/dbraw/zinc/17/71/10/156177110.db2.gz KNWPEQGVFFPUNE-KRWDZBQOSA-N 0 1 297.402 2.535 20 30 CFEDMN N#Cc1cc(CN2CCC[C@H](c3ccncn3)C2)ccc1F ZINC000363938573 156208752 /nfs/dbraw/zinc/20/87/52/156208752.db2.gz ORPLCGMASAIJFH-AWEZNQCLSA-N 0 1 296.349 2.867 20 30 CFEDMN C=CCCn1cc(CN(CC)CCc2ccccc2)nn1 ZINC000653497633 413331291 /nfs/dbraw/zinc/33/12/91/413331291.db2.gz OPVZUBBHIKSLNI-UHFFFAOYSA-N 0 1 284.407 2.919 20 30 CFEDMN N#Cc1c[nH]c(C(=O)Nc2cccc3c2CN(C2CC2)C3)c1 ZINC000375234979 157211505 /nfs/dbraw/zinc/21/15/05/157211505.db2.gz VUUXWDUQWZMDGM-UHFFFAOYSA-N 0 1 292.342 2.617 20 30 CFEDMN C=CCOCCN[C@@H](C)c1ncc(-c2ccccc2)n1C ZINC000651322011 413401274 /nfs/dbraw/zinc/40/12/74/413401274.db2.gz SJUJYIFJPAJWDP-AWEZNQCLSA-N 0 1 285.391 2.940 20 30 CFEDMN C=CCCn1cc(CN2CC[C@@]3(CC[C@@H](C)C3)C2)nn1 ZINC000653612429 413406085 /nfs/dbraw/zinc/40/60/85/413406085.db2.gz PGHGCIZATIFMPC-GDBMZVCRSA-N 0 1 274.412 2.866 20 30 CFEDMN C=CCCn1cc(CN2CCC[C@]2(CCC)COC)nn1 ZINC000653647780 413427714 /nfs/dbraw/zinc/42/77/14/413427714.db2.gz UOQMHQGXANDNRZ-MRXNPFEDSA-N 0 1 292.427 2.635 20 30 CFEDMN N#Cc1cccc(CN[C@H](CO)c2ccc(F)cc2)c1 ZINC000344391919 162032235 /nfs/dbraw/zinc/03/22/35/162032235.db2.gz QKDXCPJQQFEALD-MRXNPFEDSA-N 0 1 270.307 2.521 20 30 CFEDMN Cc1ccc2nc(NC(=O)c3cccc(C#N)c3)[nH]c2c1 ZINC000344539134 162063240 /nfs/dbraw/zinc/06/32/40/162063240.db2.gz TULTVGSVWPWHNK-UHFFFAOYSA-N 0 1 276.299 2.995 20 30 CFEDMN Cc1ccsc1[C@@H](CO)NCc1cccc(C#N)c1 ZINC000344707088 162102036 /nfs/dbraw/zinc/10/20/36/162102036.db2.gz ZBSINQYOLXPZLT-CQSZACIVSA-N 0 1 272.373 2.751 20 30 CFEDMN N#Cc1csc(CNc2cnccc2-n2cccn2)c1 ZINC000345170196 162192878 /nfs/dbraw/zinc/19/28/78/162192878.db2.gz UFQZOVWJJMUXEP-UHFFFAOYSA-N 0 1 281.344 2.813 20 30 CFEDMN CCN1C[C@H](C)N(C(=O)Nc2ccc(C#N)cc2)C[C@H]1C ZINC000345885764 162270135 /nfs/dbraw/zinc/27/01/35/162270135.db2.gz QVGAWXXARUYLDF-OLZOCXBDSA-N 0 1 286.379 2.505 20 30 CFEDMN C=CCCn1cc(CN(C)C2CCC(F)(F)CC2)nn1 ZINC000653675848 413443676 /nfs/dbraw/zinc/44/36/76/413443676.db2.gz VLDJFTIVDLMQDJ-UHFFFAOYSA-N 0 1 284.354 2.864 20 30 CFEDMN CN(CCc1ccccc1O)Cc1ccc(C#N)s1 ZINC000346367129 162395996 /nfs/dbraw/zinc/39/59/96/162395996.db2.gz HROOKIAWBFWNTH-UHFFFAOYSA-N 0 1 272.373 3.000 20 30 CFEDMN CCC[C@]1(NCc2ccc(F)cc2C#N)CCOC1 ZINC000352830920 163245366 /nfs/dbraw/zinc/24/53/66/163245366.db2.gz KRAUDBWNQLHMDZ-HNNXBMFYSA-N 0 1 262.328 2.746 20 30 CFEDMN C[C@H](CNCc1nc(C#N)cs1)Oc1ccccc1 ZINC000352836498 163247539 /nfs/dbraw/zinc/24/75/39/163247539.db2.gz MBKGYYVGHCVYBO-LLVKDONJSA-N 0 1 273.361 2.572 20 30 CFEDMN N#Cc1csc(CNCC2(c3ccccc3)CC2)n1 ZINC000352840582 163249570 /nfs/dbraw/zinc/24/95/70/163249570.db2.gz NXEHQCVVXHLWRN-UHFFFAOYSA-N 0 1 269.373 2.836 20 30 CFEDMN CC(C)C[C@H]1OCCC[C@H]1NCc1nc(C#N)cs1 ZINC000352945723 163276079 /nfs/dbraw/zinc/27/60/79/163276079.db2.gz PIAPCDSTJODEPS-CHWSQXEVSA-N 0 1 279.409 2.698 20 30 CFEDMN CCc1nn(C)cc1CN[C@H]1CCc2ccc(C#N)cc21 ZINC000353249406 163328471 /nfs/dbraw/zinc/32/84/71/163328471.db2.gz CXYBBQRYLBPJLM-KRWDZBQOSA-N 0 1 280.375 2.631 20 30 CFEDMN CCc1nn(C)cc1CN[C@@H]1CCc2ccc(C#N)cc21 ZINC000353249408 163329505 /nfs/dbraw/zinc/32/95/05/163329505.db2.gz CXYBBQRYLBPJLM-QGZVFWFLSA-N 0 1 280.375 2.631 20 30 CFEDMN CCc1nc([C@@H](C)N[C@@H]2CCc3ccc(C#N)cc32)n[nH]1 ZINC000353271072 163335357 /nfs/dbraw/zinc/33/53/57/163335357.db2.gz XWSNIGHHBNUKEY-QMTHXVAHSA-N 0 1 281.363 2.577 20 30 CFEDMN C=C(CNCc1cc2n(n1)CCC2)c1ccccc1 ZINC000657333863 413458104 /nfs/dbraw/zinc/45/81/04/413458104.db2.gz BXJAPEFQKNNYRA-UHFFFAOYSA-N 0 1 253.349 2.632 20 30 CFEDMN CC[C@@H]1CCCC[C@@H]1[NH+]=C([O-])N1CCn2cncc2C1 ZINC000329735746 287018780 /nfs/dbraw/zinc/01/87/80/287018780.db2.gz SDVCEIMEZGQCFY-OCCSQVGLSA-N 0 1 276.384 2.582 20 30 CFEDMN C[C@@H]1CCC[C@H](C)N1CC(=O)Nc1ccc(C#N)cc1 ZINC000009997931 170394041 /nfs/dbraw/zinc/39/40/41/170394041.db2.gz VOSQQEYGGZTJEZ-BETUJISGSA-N 0 1 271.364 2.760 20 30 CFEDMN C[C@@H]1CCC[C@@H](C)N1CC(=O)Nc1ccc(C#N)cc1 ZINC000009997933 170394496 /nfs/dbraw/zinc/39/44/96/170394496.db2.gz VOSQQEYGGZTJEZ-CHWSQXEVSA-N 0 1 271.364 2.760 20 30 CFEDMN C[C@@H]1CCCCCN1C(=O)N[C@@H]1CCCc2cn[nH]c21 ZINC000330139351 287247373 /nfs/dbraw/zinc/24/73/73/287247373.db2.gz OUARBOXSZSFSOR-DGCLKSJQSA-N 0 1 276.384 2.966 20 30 CFEDMN N#Cc1c(CN2CCC[C@H]2[C@H]2CCCO2)cn2ccccc12 ZINC000284781280 196130972 /nfs/dbraw/zinc/13/09/72/196130972.db2.gz NJOSTUTWTQPLAN-ZWKOTPCHSA-N 0 1 295.386 2.954 20 30 CFEDMN N#Cc1ccc(F)c(CN2CCC[C@H]2[C@H]2CCCO2)c1 ZINC000284831577 196139598 /nfs/dbraw/zinc/13/95/98/196139598.db2.gz QKLAGNHEILXBGD-JKSUJKDBSA-N 0 1 274.339 2.841 20 30 CFEDMN C=CC[C@H](C)NC(=O)NC[C@H]1CCN1Cc1ccccc1 ZINC000660681624 413497685 /nfs/dbraw/zinc/49/76/85/413497685.db2.gz RXBJCOQDQXKVIA-GOEBONIOSA-N 0 1 287.407 2.525 20 30 CFEDMN C[C@@H](O)CN(CC#Cc1ccc(Cl)cc1)C1CC1 ZINC000653899004 413579965 /nfs/dbraw/zinc/57/99/65/413579965.db2.gz VHBGDEXFFLSVDK-GFCCVEGCSA-N 0 1 263.768 2.537 20 30 CFEDMN C=CCCn1cc(CN[C@@H]2CCO[C@@H](CC(C)C)C2)nn1 ZINC000657428645 413591088 /nfs/dbraw/zinc/59/10/88/413591088.db2.gz MEVAHFMVRQJPFL-ZBFHGGJFSA-N 0 1 292.427 2.538 20 30 CFEDMN C=CC[C@H]1CCCC[C@@H]1Nc1ncnc2[nH]cnc21 ZINC000664142794 413595023 /nfs/dbraw/zinc/59/50/23/413595023.db2.gz LBNZKFVYPQWBAF-QWRGUYRKSA-N 0 1 257.341 2.900 20 30 CFEDMN C=CC[C@@H]1CC[C@H](NCc2nn(C)cc2Cl)C1 ZINC000651822167 413665038 /nfs/dbraw/zinc/66/50/38/413665038.db2.gz NAJIKMWFGODSPP-MNOVXSKESA-N 0 1 253.777 2.908 20 30 CFEDMN C=CC[C@@H]1CCCN(C(=O)N[C@H](C)Cc2cc(C)[nH]n2)C1 ZINC000660929567 413669872 /nfs/dbraw/zinc/66/98/72/413669872.db2.gz GQDHWCLUFCDPAP-TZMCWYRMSA-N 0 1 290.411 2.647 20 30 CFEDMN C=C(C)CN(C)Cc1cc(F)c(OC)cc1OC ZINC000651755219 413619783 /nfs/dbraw/zinc/61/97/83/413619783.db2.gz DZNQVRUNZRZBKW-UHFFFAOYSA-N 0 1 253.317 2.851 20 30 CFEDMN C=C(CC)CNC(=O)NC[C@H]1CCN1Cc1ccccc1 ZINC000661289360 413873972 /nfs/dbraw/zinc/87/39/72/413873972.db2.gz FXIWBNJSABYHGS-MRXNPFEDSA-N 0 1 287.407 2.526 20 30 CFEDMN C=CCCCCCNC(=O)N[C@@H]1C[C@@H](C)[N@H+](C2CC2)C1 ZINC000654482071 413880969 /nfs/dbraw/zinc/88/09/69/413880969.db2.gz WUSDLPGVQIPWOK-ZIAGYGMSSA-N 0 1 279.428 2.657 20 30 CFEDMN C=CCN(Cc1cnc(OC)c(Cl)c1)[C@H](C)COC ZINC000661239314 413841526 /nfs/dbraw/zinc/84/15/26/413841526.db2.gz FJIGKBJATHKTMR-LLVKDONJSA-N 0 1 284.787 2.767 20 30 CFEDMN C=CCN(Cc1ncc(C)c(OC)c1C)[C@H](C)COC ZINC000661242842 413847538 /nfs/dbraw/zinc/84/75/38/413847538.db2.gz GHKXUYLFHRBVHK-CYBMUJFWSA-N 0 1 278.396 2.730 20 30 CFEDMN C=CCN(Cc1ccc(OCC)cn1)[C@@H](C)COC ZINC000661244728 413848444 /nfs/dbraw/zinc/84/84/44/413848444.db2.gz XSOUZZOUHIHQFT-ZDUSSCGKSA-N 0 1 264.369 2.503 20 30 CFEDMN C=CCCCCCNC(=O)N(C)[C@@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000654665816 413949465 /nfs/dbraw/zinc/94/94/65/413949465.db2.gz QLCZEQPDABLSRF-LSDHHAIUSA-N 0 1 281.444 2.857 20 30 CFEDMN C=C[C@@H](C)NC(=O)c1cccc(C(F)(F)F)c1O ZINC000654884165 414025483 /nfs/dbraw/zinc/02/54/83/414025483.db2.gz ZAXBZLOERWZIJJ-SSDOTTSWSA-N 0 1 259.227 2.715 20 30 CFEDMN Cc1cc(C(C#N)C(=O)c2ccn(C(C)(C)C)n2)nc(C)n1 ZINC000654969812 414043103 /nfs/dbraw/zinc/04/31/03/414043103.db2.gz INUNJHNWDOVZSZ-LBPRGKRZSA-N 0 1 297.362 2.535 20 30 CFEDMN Cc1cc([C@H](C#N)C(=O)c2ccn(C(C)(C)C)n2)nc(C)n1 ZINC000654969812 414043114 /nfs/dbraw/zinc/04/31/14/414043114.db2.gz INUNJHNWDOVZSZ-LBPRGKRZSA-N 0 1 297.362 2.535 20 30 CFEDMN C[C@@H](N[C@@H](C)C(=O)N1CCCCC1)c1ccc(C#N)cc1 ZINC000037749552 173672152 /nfs/dbraw/zinc/67/21/52/173672152.db2.gz DHWPPFUKVWXUCS-KGLIPLIRSA-N 0 1 285.391 2.610 20 30 CFEDMN COCC#CCN1CCC2(C=Cc3ccccc3O2)CC1 ZINC000662211178 414458535 /nfs/dbraw/zinc/45/85/35/414458535.db2.gz DLIROGCSBGYGKX-UHFFFAOYSA-N 0 1 283.371 2.577 20 30 CFEDMN C=CCN(Cc1ccccc1F)C[C@H](OC)[C@@H]1CCOC1 ZINC000659850849 414586111 /nfs/dbraw/zinc/58/61/11/414586111.db2.gz CJOXZWJHGOYBCK-WBVHZDCISA-N 0 1 293.382 2.865 20 30 CFEDMN C=CC[C@@H]1CCCN(C(=O)[C@H]2Cc3ccccc3CN2)C1 ZINC000662857079 414622688 /nfs/dbraw/zinc/62/26/88/414622688.db2.gz CXENYHOJDUCCKJ-RHSMWYFYSA-N 0 1 284.403 2.516 20 30 CFEDMN C=C1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1nc(C(=O)[O-])cs1 ZINC000659801607 414560819 /nfs/dbraw/zinc/56/08/19/414560819.db2.gz HSXLQOCWKIDMFB-AOOOYVTPSA-N 0 1 264.350 2.524 20 30 CFEDMN C=C(CC)Cn1cc([C@@H](N)c2ccc(Cl)cc2)nn1 ZINC000656453834 414579629 /nfs/dbraw/zinc/57/96/29/414579629.db2.gz YUSDIFUPCHYKHP-AWEZNQCLSA-N 0 1 276.771 2.946 20 30 CFEDMN C=CC[C@@H](Cc1ccccc1)n1cc([C@@H](C)NC)nn1 ZINC000656458091 414581192 /nfs/dbraw/zinc/58/11/92/414581192.db2.gz XKESMEKHIMBZQB-HIFRSBDPSA-N 0 1 270.380 2.918 20 30 CFEDMN C=CC[C@H](Cc1ccccc1)n1cc([C@H](C)NC)nn1 ZINC000656458089 414581237 /nfs/dbraw/zinc/58/12/37/414581237.db2.gz XKESMEKHIMBZQB-DZGCQCFKSA-N 0 1 270.380 2.918 20 30 CFEDMN C=CC[C@@H]1CCCN(C(=O)[C@H](N)c2ccccc2)C1 ZINC000662637816 414583241 /nfs/dbraw/zinc/58/32/41/414583241.db2.gz YYMYRQMCLGQUJB-UKRRQHHQSA-N 0 1 258.365 2.501 20 30 CFEDMN N#Cc1cccc(CNC(=O)c2ccc(O)c(Cl)c2)c1 ZINC000045212564 175329081 /nfs/dbraw/zinc/32/90/81/175329081.db2.gz JBXJAYHBONPPCV-UHFFFAOYSA-N 0 1 286.718 2.847 20 30 CFEDMN C=CC[C@@H](C(=O)N[C@H](C)c1n[nH]c(C)n1)c1ccccc1 ZINC000286445271 196605848 /nfs/dbraw/zinc/60/58/48/196605848.db2.gz ROGULVQNKFVUGD-BXUZGUMPSA-N 0 1 284.363 2.650 20 30 CFEDMN C=CCCCN(C)[C@H](C)C(=O)Nc1nc(C)c(C)s1 ZINC000076738438 177078165 /nfs/dbraw/zinc/07/81/65/177078165.db2.gz AOWVOMVVZHNZNI-LLVKDONJSA-N 0 1 281.425 2.985 20 30 CFEDMN Cc1csc(C(C#N)C(=O)c2ccc3oc(=O)[nH]c3c2)n1 ZINC000347526914 226197671 /nfs/dbraw/zinc/19/76/71/226197671.db2.gz UIYWOWAAWSLPRU-SECBINFHSA-N 0 1 299.311 2.788 20 30 CFEDMN C[C@H](CN1CCOCC1)C(=O)N[C@@H]1CCCc2occc21 ZINC000329063323 227279154 /nfs/dbraw/zinc/27/91/54/227279154.db2.gz OEGHYUMDXOHIQF-TZMCWYRMSA-N 0 1 292.379 2.582 20 30 CFEDMN O=C(N[C@H]1CCCc2cn[nH]c21)N1CCC(C(F)F)CC1 ZINC000330130272 228046637 /nfs/dbraw/zinc/04/66/37/228046637.db2.gz KINCTPNZGCTRLR-NSHDSACASA-N 0 1 298.337 2.678 20 30 CFEDMN Cc1nccc([NH+]=C([O-])NCC2(C)Cc3ccccc3C2)n1 ZINC000330158894 228052385 /nfs/dbraw/zinc/05/23/85/228052385.db2.gz QJDUACJLQQGRDU-UHFFFAOYSA-N 0 1 296.374 2.916 20 30 CFEDMN O=C(N[C@@H]1CCCc2cn[nH]c21)C1CCC(=O)CC1 ZINC000330160619 228053284 /nfs/dbraw/zinc/05/32/84/228053284.db2.gz SEXJINUGGCQEHO-GFCCVEGCSA-N 0 1 261.325 2.503 20 30 CFEDMN [O-]C(NCCC1CCCCC1)=[NH+][C@@H]1CCn2ccnc2C1 ZINC000330180886 228058189 /nfs/dbraw/zinc/05/81/89/228058189.db2.gz NPRVLFFZEPUIDS-CQSZACIVSA-N 0 1 290.411 2.672 20 30 CFEDMN O=C(Nc1cccc(-c2nc[nH]n2)c1)[C@H]1CCCN1C1CC1 ZINC000330227295 228073109 /nfs/dbraw/zinc/07/31/09/228073109.db2.gz PECIJAHGSZLGNI-CQSZACIVSA-N 0 1 297.362 2.687 20 30 CFEDMN Cc1ccnc(NCC2CN(Cc3ccccc3)C2)c1C#N ZINC000716229992 782034009 /nfs/dbraw/zinc/03/40/09/782034009.db2.gz PXSLYFXOAKJUGR-UHFFFAOYSA-N 0 1 292.386 2.806 20 30 CFEDMN C(#Cc1ccccc1)CSc1nc(C2CC2)n[nH]1 ZINC000187842731 260061476 /nfs/dbraw/zinc/06/14/76/260061476.db2.gz OEAPXAGZLVFPAQ-UHFFFAOYSA-N 0 1 255.346 2.826 20 30 CFEDMN C(#Cc1ccccc1)CSc1n[nH]c(C2CC2)n1 ZINC000187842731 260061478 /nfs/dbraw/zinc/06/14/78/260061478.db2.gz OEAPXAGZLVFPAQ-UHFFFAOYSA-N 0 1 255.346 2.826 20 30 CFEDMN C=CCC1(CNC(=O)[C@H](C)Cc2cnc[nH]2)CCCC1 ZINC000517755983 260187387 /nfs/dbraw/zinc/18/73/87/260187387.db2.gz CBZNRMMQBVHEGB-CYBMUJFWSA-N 0 1 275.396 2.841 20 30 CFEDMN C[C@@H](N[C@@H](C)C(=O)N(C)CCC#N)c1cccc(Cl)c1 ZINC000070786559 260270185 /nfs/dbraw/zinc/27/01/85/260270185.db2.gz YICUYOVKYZXXBG-NEPJUHHUSA-N 0 1 293.798 2.751 20 30 CFEDMN N#CCC(=O)NC[C@H](c1cccc(Cl)c1)N1CCCC1 ZINC000153574962 261080582 /nfs/dbraw/zinc/08/05/82/261080582.db2.gz MCHDLPVRSMDTTB-CQSZACIVSA-N 0 1 291.782 2.507 20 30 CFEDMN CC(C)CNC(=O)C(C#N)c1nc(C(C)C)cs1 ZINC000155768880 261107556 /nfs/dbraw/zinc/10/75/56/261107556.db2.gz ZPOVPTLYOCGJET-JTQLQIEISA-N 0 1 265.382 2.646 20 30 CFEDMN C=CCC1(C(=O)N2CCN(CC(C)C)CC2)CCCC1 ZINC000449043790 261124777 /nfs/dbraw/zinc/12/47/77/261124777.db2.gz ZXWKNEUJGHGVBZ-UHFFFAOYSA-N 0 1 278.440 2.923 20 30 CFEDMN N#CCCN(CCCOc1cccc(C#N)c1)CC1CC1 ZINC000156629316 261128200 /nfs/dbraw/zinc/12/82/00/261128200.db2.gz PJBQFSKGARLZOT-UHFFFAOYSA-N 0 1 283.375 2.953 20 30 CFEDMN C#CCN1CCC(C(=O)N2CCCC[C@H]2[C@@H](C)CC)CC1 ZINC000490670365 261182060 /nfs/dbraw/zinc/18/20/60/261182060.db2.gz MAHAMLYWGFRJHL-RDJZCZTQSA-N 0 1 290.451 2.759 20 30 CFEDMN Cc1ccsc1[C@H](CO)NCC#Cc1ccccc1 ZINC000361748365 261388214 /nfs/dbraw/zinc/38/82/14/261388214.db2.gz AQPUZBUCYFPDCI-HNNXBMFYSA-N 0 1 271.385 2.731 20 30 CFEDMN C=CCN(CCO)Cc1ccc(Cl)c(Cl)c1 ZINC000116880388 262051895 /nfs/dbraw/zinc/05/18/95/262051895.db2.gz TVAZGEHRUMHPPA-UHFFFAOYSA-N 0 1 260.164 2.974 20 30 CFEDMN N#C[C@H]1CCC[C@@H](NCc2cccnc2OCC(F)F)C1 ZINC000193060139 262215169 /nfs/dbraw/zinc/21/51/69/262215169.db2.gz UITZUCAAEIIDMD-WCQYABFASA-N 0 1 295.333 2.897 20 30 CFEDMN C=CC1CCN(Cc2nc3ccccc3n2C)CC1 ZINC000111257914 262258258 /nfs/dbraw/zinc/25/82/58/262258258.db2.gz IUXYRRFPTDHKLG-UHFFFAOYSA-N 0 1 255.365 2.971 20 30 CFEDMN C=CC1CCN(CC(=O)Nc2ccc(C)cc2)CC1 ZINC000111260459 262258779 /nfs/dbraw/zinc/25/87/79/262258779.db2.gz BIFCQGFTUNGQTK-UHFFFAOYSA-N 0 1 258.365 2.832 20 30 CFEDMN C=C(C)CN(CC)C(=O)[C@@H](C)[N@@H+](C)CC1CCC1 ZINC000111296494 262260263 /nfs/dbraw/zinc/26/02/63/262260263.db2.gz OBPHNNOVMKVFSE-CYBMUJFWSA-N 0 1 252.402 2.531 20 30 CFEDMN C=CC[C@@H](CO)NCc1cc(F)ccc1Br ZINC000184273375 262275597 /nfs/dbraw/zinc/27/55/97/262275597.db2.gz BMRBUIFSFGIFCG-NSHDSACASA-N 0 1 288.160 2.615 20 30 CFEDMN CC#CC[N@@H+](C)C1C[C@H]2CC[C@@H](C1)N2C(=O)OC(C)(C)C ZINC000160722830 262299361 /nfs/dbraw/zinc/29/93/61/262299361.db2.gz LJAGJOHCNJFTNF-YIONKMFJSA-N 0 1 292.423 2.872 20 30 CFEDMN CCC1(C)CCN([C@H](C)C(=O)N[C@](C)(C#N)C(C)C)CC1 ZINC000337675957 262466450 /nfs/dbraw/zinc/46/64/50/262466450.db2.gz FTSTZPNMBYGQRN-RHSMWYFYSA-N 0 1 293.455 2.941 20 30 CFEDMN CN(CCC1(C#N)CCCCC1)Cc1cnn(C)c1 ZINC000411134277 262680353 /nfs/dbraw/zinc/68/03/53/262680353.db2.gz LBXVDZYWRJGWBY-UHFFFAOYSA-N 0 1 260.385 2.716 20 30 CFEDMN C[C@H]1CN(CCC2(C#N)CCCCC2)C[C@]2(CCOC2)O1 ZINC000411667899 262702583 /nfs/dbraw/zinc/70/25/83/262702583.db2.gz XFSMZGYYWNYKSV-RDJZCZTQSA-N 0 1 292.423 2.730 20 30 CFEDMN CCCN(CC#N)Cc1cnc(-c2ccccc2)[nH]1 ZINC000271116976 262993112 /nfs/dbraw/zinc/99/31/12/262993112.db2.gz CBBHLXMHLJAQSD-UHFFFAOYSA-N 0 1 254.337 2.812 20 30 CFEDMN CC1(C#N)CCN(CCC(=O)c2ccccc2)CC1 ZINC000272489023 263005256 /nfs/dbraw/zinc/00/52/56/263005256.db2.gz BZIAJVNOFXWPBV-UHFFFAOYSA-N 0 1 256.349 2.885 20 30 CFEDMN CC1(C#N)CCN(CCOc2cccc([N+](=O)[O-])c2)CC1 ZINC000272504167 263005441 /nfs/dbraw/zinc/00/54/41/263005441.db2.gz DZLNSDFDBGNDHV-UHFFFAOYSA-N 0 1 289.335 2.599 20 30 CFEDMN CC#CCCN(CC)[C@@H]1CCN(c2ccccc2)C1=O ZINC000155730785 263008352 /nfs/dbraw/zinc/00/83/52/263008352.db2.gz DFODWYBLXOLDIA-MRXNPFEDSA-N 0 1 270.376 2.527 20 30 CFEDMN C=C(C)[C@@H](Cc1nc([C@@H](N)CC(C)C)no1)OCC ZINC000414626541 263016385 /nfs/dbraw/zinc/01/63/85/263016385.db2.gz YJEUBCYGRLWAPN-NWDGAFQWSA-N 0 1 267.373 2.639 20 30 CFEDMN CC(C)C(N)=NOCc1nc(Cl)ccc1Cl ZINC000274717495 263029507 /nfs/dbraw/zinc/02/95/07/263029507.db2.gz GTIPPPQEJTZBHK-UHFFFAOYSA-N 0 1 262.140 2.833 20 30 CFEDMN COc1ccccc1N1CCN([C@H]2CC[C@H](C#N)C2)CC1 ZINC000278502551 263048536 /nfs/dbraw/zinc/04/85/36/263048536.db2.gz AKRMZHGWTBOTGM-GJZGRUSLSA-N 0 1 285.391 2.509 20 30 CFEDMN CN(Cc1cc(Br)cn1C)[C@H]1CC[C@H](C#N)C1 ZINC000278752977 263050539 /nfs/dbraw/zinc/05/05/39/263050539.db2.gz XEPXBCQJWCGYOY-JQWIXIFHSA-N 0 1 296.212 2.912 20 30 CFEDMN C[C@@H]1c2cccn2CCN1CCCC1(C#N)CCOCC1 ZINC000281927771 263073097 /nfs/dbraw/zinc/07/30/97/263073097.db2.gz HSBITBIGUPAZOZ-OAHLLOKOSA-N 0 1 287.407 2.965 20 30 CFEDMN C=C[C@@H](CC(=O)Nc1nc(SC)n[nH]1)c1ccccc1 ZINC000340127901 263074620 /nfs/dbraw/zinc/07/46/20/263074620.db2.gz ZMCIGDDKYAWNPE-JTQLQIEISA-N 0 1 288.376 2.825 20 30 CFEDMN Cn1cc([C@H](N[C@H]2CC[C@H](C#N)C2)c2ccc(F)cc2)cn1 ZINC000282198678 263074998 /nfs/dbraw/zinc/07/49/98/263074998.db2.gz GRUXRWQUTWWAFF-AFAVFJNCSA-N 0 1 298.365 2.930 20 30 CFEDMN Cc1nc2c(cccc2C(=O)N(CCC#N)CC2CC2)[nH]1 ZINC000283619935 263083662 /nfs/dbraw/zinc/08/36/62/263083662.db2.gz AQJDFRIGMHJYTN-UHFFFAOYSA-N 0 1 282.347 2.637 20 30 CFEDMN N#CCOc1ccc(C[N@H+]2CCC[C@@H]2[C@@H]2CCCO2)cc1 ZINC000284723259 263087958 /nfs/dbraw/zinc/08/79/58/263087958.db2.gz JTYNXXWYBFKUFG-SJORKVTESA-N 0 1 286.375 2.732 20 30 CFEDMN COc1cccc(OC)c1OCCCCN(C)CCC#N ZINC000290382826 263116423 /nfs/dbraw/zinc/11/64/23/263116423.db2.gz RVGJWJJCZUYWNO-UHFFFAOYSA-N 0 1 292.379 2.708 20 30 CFEDMN N#CC[C@@H]1CC[C@H]([NH2+]Cc2c(F)ccc([O-])c2F)C1 ZINC000295117375 263172564 /nfs/dbraw/zinc/17/25/64/263172564.db2.gz VZJSRBKGKJKAFV-UWVGGRQHSA-N 0 1 266.291 2.842 20 30 CFEDMN CCCCCCC[C@H](C)N[C@@H](C(N)=O)c1ccccn1 ZINC000295156406 263173503 /nfs/dbraw/zinc/17/35/03/263173503.db2.gz RRYAWVQKPMXACJ-DZGCQCFKSA-N 0 1 277.412 2.947 20 30 CFEDMN N#CC1(C(=O)Nc2ccc3nc[nH]c3c2)CCCCC1 ZINC000299321807 263239266 /nfs/dbraw/zinc/23/92/66/263239266.db2.gz VJUDFRISNZGADU-UHFFFAOYSA-N 0 1 268.320 2.975 20 30 CFEDMN C=CCCS(=O)(=O)Nc1cc(C#N)ccc1OC(C)C ZINC000120110920 263280415 /nfs/dbraw/zinc/28/04/15/263280415.db2.gz OMPJYMIFUGTTPV-UHFFFAOYSA-N 0 1 294.376 2.663 20 30 CFEDMN C=C(C)CN(CC)[C@@H](C)C(=O)Nc1cccc(C#N)c1 ZINC000120104710 263281087 /nfs/dbraw/zinc/28/10/87/263281087.db2.gz LLZFIXHTFAQBAD-ZDUSSCGKSA-N 0 1 271.364 2.783 20 30 CFEDMN C=CC[C@H](C(=O)N1CCN(CC)C[C@H]1C)c1ccccc1 ZINC000341837500 263356591 /nfs/dbraw/zinc/35/65/91/263356591.db2.gz BHLJBFYUTRXHEY-WBVHZDCISA-N 0 1 286.419 2.899 20 30 CFEDMN C=C1CCN([C@H](C)C(=O)N2[C@H](C)CCC[C@H]2C)CC1 ZINC000342184390 263394967 /nfs/dbraw/zinc/39/49/67/263394967.db2.gz RIZPQFDZSPNBGX-RBSFLKMASA-N 0 1 264.413 2.816 20 30 CFEDMN C=CC[C@H](C)NC(=O)NCc1nc2ccc(C)cc2[nH]1 ZINC000342141955 263398900 /nfs/dbraw/zinc/39/89/00/263398900.db2.gz WZYFBEQEPCZZKZ-NSHDSACASA-N 0 1 272.352 2.635 20 30 CFEDMN C=CCCN(C)CC(=O)N[C@@H](C)Cc1ccccc1C ZINC000342734355 263482737 /nfs/dbraw/zinc/48/27/37/263482737.db2.gz JYLXTLJZPJGSTB-HNNXBMFYSA-N 0 1 274.408 2.550 20 30 CFEDMN C=CCCc1ccccc1NC(=O)N1CCN[C@H](C)C1 ZINC000415678572 263642535 /nfs/dbraw/zinc/64/25/35/263642535.db2.gz WZXZBTYCAOHIIJ-CYBMUJFWSA-N 0 1 273.380 2.631 20 30 CFEDMN C#Cc1ccc(NC(=O)N(CCC)[C@@H]2CC[N@@H+](C)C2)cc1 ZINC000934924933 649855260 /nfs/dbraw/zinc/85/52/60/649855260.db2.gz NKEWTCBNXWVCLI-MRXNPFEDSA-N 0 1 285.391 2.616 20 30 CFEDMN C=C[C@@H]1CCCCN1Cc1cnn(CC(F)F)c1 ZINC000353231793 264050852 /nfs/dbraw/zinc/05/08/52/264050852.db2.gz JWQUZIAQFDOTLJ-GFCCVEGCSA-N 0 1 255.312 2.689 20 30 CFEDMN CCc1noc(C)c1C(=O)N[C@@H]1C[N@H+](C(C)C)C[C@H]1C ZINC000330932057 264096298 /nfs/dbraw/zinc/09/62/98/264096298.db2.gz WSSFSBOXHQYTPS-ZWNOBZJWSA-N 0 1 279.384 2.579 20 30 CFEDMN CC(C)C1CCC(NC([O-])=[NH+][C@H](C)Cn2cccn2)CC1 ZINC000331042211 264107819 /nfs/dbraw/zinc/10/78/19/264107819.db2.gz DZSYAZGYVNQQRS-WLYUNCDWSA-N 0 1 292.427 2.990 20 30 CFEDMN CC(C)C1CCC([NH+]=C([O-])N[C@H](C)Cn2cccn2)CC1 ZINC000331042211 264107820 /nfs/dbraw/zinc/10/78/20/264107820.db2.gz DZSYAZGYVNQQRS-WLYUNCDWSA-N 0 1 292.427 2.990 20 30 CFEDMN CC[C@H](C)NC([O-])=[NH+][C@@H]1CCc2cnn(C(C)C)c2C1 ZINC000331066658 264112243 /nfs/dbraw/zinc/11/22/43/264112243.db2.gz GCJXCPHRDIFGDX-WCQYABFASA-N 0 1 278.400 2.623 20 30 CFEDMN CC[C@H](C)[NH+]=C([O-])N[C@@H]1CCc2cnn(C(C)C)c2C1 ZINC000331066658 264112244 /nfs/dbraw/zinc/11/22/44/264112244.db2.gz GCJXCPHRDIFGDX-WCQYABFASA-N 0 1 278.400 2.623 20 30 CFEDMN CC(C)c1occc1C(=O)N[C@H](CO)CN1CCCCC1 ZINC000331321636 264189770 /nfs/dbraw/zinc/18/97/70/264189770.db2.gz FGYUBUNUIAMNAH-ZDUSSCGKSA-N 0 1 294.395 2.554 20 30 CFEDMN Cc1cccc(C)c1[C@@H](C)NC(=O)N(C)Cc1nnc[nH]1 ZINC000331358926 264209264 /nfs/dbraw/zinc/20/92/64/264209264.db2.gz VVFCABURGWQZJY-GFCCVEGCSA-N 0 1 287.367 2.529 20 30 CFEDMN C=C[C@@](C)(CC)C(=O)N1CCN([C@@H](C)CC)CC1 ZINC000456538225 264250211 /nfs/dbraw/zinc/25/02/11/264250211.db2.gz XDEOZAYZUFBQQT-ZFWWWQNUSA-N 0 1 252.402 2.531 20 30 CFEDMN COC(=O)[C@H](CCN[C@@H]1CCC[C@H]1C#N)c1ccccc1 ZINC000425461590 264333959 /nfs/dbraw/zinc/33/39/59/264333959.db2.gz VBWBENHWGDIDIB-ARFHVFGLSA-N 0 1 286.375 2.615 20 30 CFEDMN C=CC[C@@H](CO)CN[C@H](C)c1nc(C(F)(F)F)cs1 ZINC000343849659 265049278 /nfs/dbraw/zinc/04/92/78/265049278.db2.gz PQYOWHABUUKFQX-RKDXNWHRSA-N 0 1 294.342 2.997 20 30 CFEDMN COC(=O)c1ccc(CN[C@H]2CC[C@@H](C#N)C2)nc1C1CC1 ZINC000349126955 265167279 /nfs/dbraw/zinc/16/72/79/265167279.db2.gz HCPPZXDNKFPWEQ-YPMHNXCESA-N 0 1 299.374 2.527 20 30 CFEDMN COC(=O)c1ccc(CN[C@H]2CC[C@H](C#N)C2)nc1C1CC1 ZINC000349126633 265167613 /nfs/dbraw/zinc/16/76/13/265167613.db2.gz HCPPZXDNKFPWEQ-AAEUAGOBSA-N 0 1 299.374 2.527 20 30 CFEDMN C[C@@H]1[C@H](C)N(C(=O)C[C@H](CC#N)c2ccccc2)CCN1C ZINC000356650049 266154294 /nfs/dbraw/zinc/15/42/94/266154294.db2.gz HLKJQLICOOOQBW-VYDXJSESSA-N 0 1 299.418 2.625 20 30 CFEDMN C=CCCCNC(=O)[C@@H]1CCc2[nH]c(C(C)C)nc2C1 ZINC000357157355 266255793 /nfs/dbraw/zinc/25/57/93/266255793.db2.gz UAODDIJBBQOIOU-GFCCVEGCSA-N 0 1 275.396 2.720 20 30 CFEDMN C=CCN(CC(F)(F)F)C(=O)[C@@H](C)N1CCCCCC1 ZINC000357805747 266368276 /nfs/dbraw/zinc/36/82/76/266368276.db2.gz KVDGJAKMRAJTIB-GFCCVEGCSA-N 0 1 292.345 2.828 20 30 CFEDMN C=C(CC)CN1CCN(c2ncnc3sccc32)CC1 ZINC000358492948 266468666 /nfs/dbraw/zinc/46/86/66/266468666.db2.gz BRIXDINSMAILNO-UHFFFAOYSA-N 0 1 288.420 2.780 20 30 CFEDMN CNC(=O)C[C@H](NCC#Cc1ccccc1)c1ccccc1 ZINC000361642103 266862432 /nfs/dbraw/zinc/86/24/32/266862432.db2.gz HCPPCUXZOQAEJP-SFHVURJKSA-N 0 1 292.382 2.505 20 30 CFEDMN C=C[C@H](C)NC(=O)[C@@H](c1ccccc1)N(CC)CC ZINC000362603562 267019593 /nfs/dbraw/zinc/01/95/93/267019593.db2.gz YQJUMRQRQCCOAO-DZGCQCFKSA-N 0 1 260.381 2.760 20 30 CFEDMN C#CCN1CCC([C@@H]2C(=O)Nc3cc(Cl)ccc32)CC1 ZINC000362973424 267069345 /nfs/dbraw/zinc/06/93/45/267069345.db2.gz IMZZQDRPHDGQCV-HNNXBMFYSA-N 0 1 288.778 2.721 20 30 CFEDMN C=C(Cl)CN1CCC[C@@H]1[C@@H]1CCCN1C(=O)CC ZINC000363110484 267075170 /nfs/dbraw/zinc/07/51/70/267075170.db2.gz JMQHBWZJCHVPJE-OLZOCXBDSA-N 0 1 270.804 2.604 20 30 CFEDMN C#C[C@@H](C)NCc1cc(-c2ccncc2)ccc1OC ZINC000368037470 267140384 /nfs/dbraw/zinc/14/03/84/267140384.db2.gz NAFGRKDGPLCZFX-CYBMUJFWSA-N 0 1 266.344 2.869 20 30 CFEDMN C=CCCCN1CCN(C(=O)Cc2ccc(C)cc2)CC1 ZINC000117877210 267224354 /nfs/dbraw/zinc/22/43/54/267224354.db2.gz KDMVQETUKWIMGA-UHFFFAOYSA-N 0 1 286.419 2.648 20 30 CFEDMN CC#CCN1CCC(Oc2ccccc2OCC)CC1 ZINC000369623097 267256205 /nfs/dbraw/zinc/25/62/05/267256205.db2.gz SEIKWHWEIYTHRE-UHFFFAOYSA-N 0 1 273.376 2.952 20 30 CFEDMN Cn1nccc1CCN1CCC[C@H]1[C@H](C#N)c1ccccc1 ZINC000370325728 267309640 /nfs/dbraw/zinc/30/96/40/267309640.db2.gz LXJFUNXYTIDMPE-MSOLQXFVSA-N 0 1 294.402 2.734 20 30 CFEDMN C=C(C)CN(CC)[C@H](C)C(=O)Nc1ccccc1OC ZINC000120105775 267380958 /nfs/dbraw/zinc/38/09/58/267380958.db2.gz ZPLXKMJJDHPUKA-CYBMUJFWSA-N 0 1 276.380 2.920 20 30 CFEDMN C#CCCCC(=O)NC1CCN(Cc2ccsc2)CC1 ZINC000375435908 267860323 /nfs/dbraw/zinc/86/03/23/267860323.db2.gz JEHDQZHSKAQTOW-UHFFFAOYSA-N 0 1 290.432 2.632 20 30 CFEDMN C=CCN1CC[C@@H](N2CC[C@H](c3csc(C)c3)C2)C1=O ZINC000375615417 267878260 /nfs/dbraw/zinc/87/82/60/267878260.db2.gz ZFGVEDDTLASNPM-DZGCQCFKSA-N 0 1 290.432 2.633 20 30 CFEDMN CC(C)[C@@](C)(C#N)NC(=O)CN1CC[C@@H](C)C2(CCC2)C1 ZINC000376604364 268000187 /nfs/dbraw/zinc/00/01/87/268000187.db2.gz OTGPHXHNUOJSKG-GDBMZVCRSA-N 0 1 291.439 2.553 20 30 CFEDMN N#Cc1ccc(CN2CCSC[C@@H]2C2CCC2)nc1 ZINC000517391585 268222992 /nfs/dbraw/zinc/22/29/92/268222992.db2.gz OOVFQYVLTBYBEG-OAHLLOKOSA-N 0 1 273.405 2.671 20 30 CFEDMN COCCCCN(C)Cc1cccc(C#N)c1F ZINC000397343324 270317199 /nfs/dbraw/zinc/31/71/99/270317199.db2.gz WMNDPMXUEJEVCI-UHFFFAOYSA-N 0 1 250.317 2.556 20 30 CFEDMN COCCCCN(C)Cc1cc(F)ccc1C#N ZINC000397360436 270318248 /nfs/dbraw/zinc/31/82/48/270318248.db2.gz NDUDFQLBSKHNAJ-UHFFFAOYSA-N 0 1 250.317 2.556 20 30 CFEDMN C#Cc1ccc(CN[C@@H]2CCCc3c[nH]nc32)cc1 ZINC000290095066 275387971 /nfs/dbraw/zinc/38/79/71/275387971.db2.gz MZBQXNWNJJWVTL-OAHLLOKOSA-N 0 1 251.333 2.558 20 30 CFEDMN CC(=Cc1ccnn1C(C)C)c1nc(C)c(C#N)c(=O)[nH]1 ZINC000279970820 275401044 /nfs/dbraw/zinc/40/10/44/275401044.db2.gz DJNZAZHDIASQAF-JXMROGBWSA-N 0 1 283.335 2.700 20 30 CFEDMN COC(=O)C1CCN([C@@H](C)c2cccc(C#N)c2)CC1 ZINC000189345600 277053029 /nfs/dbraw/zinc/05/30/29/277053029.db2.gz MWFDOWBRTXQQND-LBPRGKRZSA-N 0 1 272.348 2.504 20 30 CFEDMN CC1(C)CCCC[C@@H]1NC(=O)N[C@@H]1CCc2[nH]cnc2C1 ZINC000329608407 278203438 /nfs/dbraw/zinc/20/34/38/278203438.db2.gz NDJFSMHADRXTHN-RISCZKNCSA-N 0 1 290.411 2.739 20 30 CFEDMN CC1(C)CCCC[C@@H]1NC([O-])=[NH+][C@H]1CCc2c[nH]nc2C1 ZINC000329822530 278203546 /nfs/dbraw/zinc/20/35/46/278203546.db2.gz HDCDMKMQVDFXDT-JSGCOSHPSA-N 0 1 290.411 2.739 20 30 CFEDMN CC1(C)CCCC[C@@H]1[NH+]=C([O-])N[C@H]1CCc2c[nH]nc2C1 ZINC000329822530 278203550 /nfs/dbraw/zinc/20/35/50/278203550.db2.gz HDCDMKMQVDFXDT-JSGCOSHPSA-N 0 1 290.411 2.739 20 30 CFEDMN CC1(C)CCC[C@H](NC(=O)N[C@H]2CCc3nc[nH]c3C2)C1 ZINC000329541236 278240510 /nfs/dbraw/zinc/24/05/10/278240510.db2.gz DHHHQSNQJVZPTF-RYUDHWBXSA-N 0 1 290.411 2.739 20 30 CFEDMN CC1(C)CCC[C@]1(O)CNC(=O)[C@@H]1CCCN1C1CC1 ZINC000329485943 278248946 /nfs/dbraw/zinc/24/89/46/278248946.db2.gz GEFOZAZJWDVTEP-BBRMVZONSA-N 0 1 280.412 2.511 20 30 CFEDMN C[C@@H]1[C@H](C)N(c2ccc(C(F)(F)F)c(C#N)n2)CCN1C ZINC000337023070 279104573 /nfs/dbraw/zinc/10/45/73/279104573.db2.gz SXJPUARYAVAXHP-ZJUUUORDSA-N 0 1 298.312 2.501 20 30 CFEDMN N#Cc1ccc(CN2CCC3(CCO3)CC2)c(Cl)c1 ZINC000558626964 281987382 /nfs/dbraw/zinc/98/73/82/281987382.db2.gz FYYSQKDEIBSKPC-UHFFFAOYSA-N 0 1 276.767 2.967 20 30 CFEDMN CCC[C@H](C)NC(=O)[C@H](C)N[C@@H](C)c1ccc(C#N)cc1 ZINC000037502324 289822657 /nfs/dbraw/zinc/82/26/57/289822657.db2.gz JQUZNXNTIWXDPK-IHRRRGAJSA-N 0 1 287.407 2.902 20 30 CFEDMN N#Cc1cc(C(=O)Nc2ccc3[nH]nnc3c2)ccc1Cl ZINC000537585306 290035764 /nfs/dbraw/zinc/03/57/64/290035764.db2.gz XVMQIWKBSZOURL-UHFFFAOYSA-N 0 1 297.705 2.735 20 30 CFEDMN N#Cc1ccc([C@@H](N[C@@H]2C[C@H]2C2CCCCC2)C(N)=O)cc1 ZINC000562408124 290040864 /nfs/dbraw/zinc/04/08/64/290040864.db2.gz JKXXDRFKBTXAEZ-GVDBMIGSSA-N 0 1 297.402 2.643 20 30 CFEDMN CC[C@H](NCc1ccnc(N(C)C)n1)c1ccc(C#N)cc1 ZINC000562498734 290048525 /nfs/dbraw/zinc/04/85/25/290048525.db2.gz IXDPSTNHGJKIDH-INIZCTEOSA-N 0 1 295.390 2.655 20 30 CFEDMN Cc1nc2cc(NCc3cc(C#N)n(C)c3)ccc2n1C ZINC000563849008 290178459 /nfs/dbraw/zinc/17/84/59/290178459.db2.gz IRZIKHLHAOXRTD-UHFFFAOYSA-N 0 1 279.347 2.704 20 30 CFEDMN C[C@H](c1ccc(C#N)cc1)N1CC[C@@](O)(C(F)(F)F)C1 ZINC000266879732 290221245 /nfs/dbraw/zinc/22/12/45/290221245.db2.gz WAVVUUXDCQQWDA-MFKMUULPSA-N 0 1 284.281 2.618 20 30 CFEDMN Cc1nc(N(C)[C@H]2CCN(C3CC3)C2)c(Cl)cc1C#N ZINC000360070345 293290458 /nfs/dbraw/zinc/29/04/58/293290458.db2.gz HHNAPGWWUFCVOE-ZDUSSCGKSA-N 0 1 290.798 2.588 20 30 CFEDMN Cc1oc(NC(=O)CN(C(C)C)C2CCC2)c(C#N)c1C ZINC000331569999 294035616 /nfs/dbraw/zinc/03/56/16/294035616.db2.gz YMODDGZUKVNUCI-UHFFFAOYSA-N 0 1 289.379 2.970 20 30 CFEDMN O=C(N[C@@H]1CCCc2cn[nH]c21)[C@@H]1CCc2cccnc21 ZINC000329217638 295380347 /nfs/dbraw/zinc/38/03/47/295380347.db2.gz QMUYKDBUJYGGKA-CHWSQXEVSA-N 0 1 282.347 2.869 20 30 CFEDMN N#Cc1ccc(C[N@@H+]2[C@@H]3CCCC[C@@H]3C[C@H]2C(=O)[O-])cc1 ZINC000250244631 303191201 /nfs/dbraw/zinc/19/12/01/303191201.db2.gz JRFQEPHOGLRHHK-OAGGEKHMSA-N 0 1 284.359 2.776 20 30 CFEDMN Cn1ccnc1[C@@H](NCc1ccc(OCC#N)cc1)C1CC1 ZINC000183317961 327819042 /nfs/dbraw/zinc/81/90/42/327819042.db2.gz IGZVAMQMEQKGBZ-INIZCTEOSA-N 0 1 296.374 2.563 20 30 CFEDMN C[C@H]1CC[C@H](NCC2(C#N)CC2)CN1C(=O)OC(C)(C)C ZINC000496428835 327926814 /nfs/dbraw/zinc/92/68/14/327926814.db2.gz GWENXMKSEJXWNK-STQMWFEESA-N 0 1 293.411 2.668 20 30 CFEDMN CC[C@H](C(=O)N[C@@H](CC)CC#N)N(C)Cc1ccccc1 ZINC000339352631 328008505 /nfs/dbraw/zinc/00/85/05/328008505.db2.gz PKMNLQXEBFVYEV-JKSUJKDBSA-N 0 1 287.407 2.705 20 30 CFEDMN C=CCCCCCNC(=O)[C@H]1CCCc2[nH]ncc21 ZINC000563547831 328073009 /nfs/dbraw/zinc/07/30/09/328073009.db2.gz QDBYFDYAAYFSBZ-LBPRGKRZSA-N 0 1 261.369 2.692 20 30 CFEDMN N#CCCCCNCc1ncc(Br)s1 ZINC000336702061 328129672 /nfs/dbraw/zinc/12/96/72/328129672.db2.gz YPTACBXXXAFNEP-UHFFFAOYSA-N 0 1 274.187 2.689 20 30 CFEDMN CN(CCCSCC#N)Cc1nc2ccccc2o1 ZINC000269250955 328190202 /nfs/dbraw/zinc/19/02/02/328190202.db2.gz BLQSWFHYQCWBIL-UHFFFAOYSA-N 0 1 275.377 2.906 20 30 CFEDMN N#CCOc1ccc(CN2CCOCC23CCCC3)cc1 ZINC000270663109 328193650 /nfs/dbraw/zinc/19/36/50/328193650.db2.gz QVKAISKCCQHTEW-UHFFFAOYSA-N 0 1 286.375 2.734 20 30 CFEDMN Cc1cccc2nc([C@H](C#N)C(=O)OCC(F)(F)F)[nH]c21 ZINC000271189777 328195794 /nfs/dbraw/zinc/19/57/94/328195794.db2.gz XKSPLEXBPVBSQF-QMMMGPOBSA-N 0 1 297.236 2.584 20 30 CFEDMN Cc1nc(F)ccc1CNCc1ccc(OCC#N)cc1 ZINC000278548112 328227190 /nfs/dbraw/zinc/22/71/90/328227190.db2.gz UQYMHMWLMDIPCC-UHFFFAOYSA-N 0 1 285.322 2.721 20 30 CFEDMN CCOc1ccccc1N1CCN([C@H]2CC[C@@H](C#N)C2)CC1 ZINC000278629915 328228991 /nfs/dbraw/zinc/22/89/91/328228991.db2.gz OBJMSYNLCWHPCQ-CVEARBPZSA-N 0 1 299.418 2.900 20 30 CFEDMN Cc1cccc(N2CCN([C@@H]3CC[C@H](C#N)C3)CC2)c1 ZINC000278699931 328229986 /nfs/dbraw/zinc/22/99/86/328229986.db2.gz SWYWHTXAXQKVFO-DOTOQJQBSA-N 0 1 269.392 2.809 20 30 CFEDMN C=C(C)CN(C)[C@@H](C)C(=O)N(C)Cc1ccccc1 ZINC000181311994 329231358 /nfs/dbraw/zinc/23/13/58/329231358.db2.gz ICVOPBRWPKGLKZ-AWEZNQCLSA-N 0 1 260.381 2.541 20 30 CFEDMN C=C(C)CN(C)[C@@H](C)C(=O)N(C)Cc1ccccc1C ZINC000181328718 329231370 /nfs/dbraw/zinc/23/13/70/329231370.db2.gz DHYIKKDJCBTDGV-HNNXBMFYSA-N 0 1 274.408 2.850 20 30 CFEDMN Cc1ccc([C@H](CNC(=O)CCCC#N)N2CCCC2)o1 ZINC000291750651 328266299 /nfs/dbraw/zinc/26/62/99/328266299.db2.gz STDVCDWFELEHDJ-AWEZNQCLSA-N 0 1 289.379 2.535 20 30 CFEDMN N#C[C@@H]1CC[C@H](Sc2nc(-c3cccnc3)n[nH]2)C1 ZINC000295840021 328287325 /nfs/dbraw/zinc/28/73/25/328287325.db2.gz WUNUWJYERUUZKK-KOLCDFICSA-N 0 1 271.349 2.651 20 30 CFEDMN N#Cc1ccc(CN2CCCCCC2)c([N+](=O)[O-])c1 ZINC000572529741 322622355 /nfs/dbraw/zinc/62/23/55/322622355.db2.gz SDPAMLLHSWDKKV-UHFFFAOYSA-N 0 1 259.309 2.842 20 30 CFEDMN C=CCCCN(C)[C@@H](C)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000121149853 328365076 /nfs/dbraw/zinc/36/50/76/328365076.db2.gz IFJMCHKCQONHDX-LBPRGKRZSA-N 0 1 291.351 2.820 20 30 CFEDMN C[C@H](C(=O)N[C@@H]1CCCC[C@H]1C)N1CCC(CC#N)CC1 ZINC000541951338 328496434 /nfs/dbraw/zinc/49/64/34/328496434.db2.gz BRQJJKYDOZGOJI-IIAWOOMASA-N 0 1 291.439 2.695 20 30 CFEDMN C[C@H](C(=O)N[C@H]1CCCC[C@H]1C)N1CCC(CC#N)CC1 ZINC000541951337 328496578 /nfs/dbraw/zinc/49/65/78/328496578.db2.gz BRQJJKYDOZGOJI-FMKPAKJESA-N 0 1 291.439 2.695 20 30 CFEDMN CN1Cc2ccc(NCc3nc(C#N)cs3)cc2C1 ZINC000580863577 325070170 /nfs/dbraw/zinc/07/01/70/325070170.db2.gz RTCPVWKATGDUJW-UHFFFAOYSA-N 0 1 270.361 2.572 20 30 CFEDMN CCc1nc(CN[C@H]2CCCCc3cc(C#N)ccc32)n[nH]1 ZINC000584274069 325342444 /nfs/dbraw/zinc/34/24/44/325342444.db2.gz HYLFWCKNQRJMNV-HNNXBMFYSA-N 0 1 295.390 2.796 20 30 CFEDMN C=C[C@@H](CC(=O)N1CCNC[C@H]1CCC)c1ccccc1 ZINC000583502950 328587401 /nfs/dbraw/zinc/58/74/01/328587401.db2.gz KTKAMAWTZLQNBF-DOTOQJQBSA-N 0 1 286.419 2.947 20 30 CFEDMN CC#CCN(C)C[C@@H](OC)c1ccc(Cl)cc1 ZINC000559467016 327246875 /nfs/dbraw/zinc/24/68/75/327246875.db2.gz CZMYZCPCYFKFOI-CQSZACIVSA-N 0 1 251.757 2.983 20 30 CFEDMN CC(C)c1nsc(NCC2CCC(C#N)CC2)n1 ZINC000559735706 327259280 /nfs/dbraw/zinc/25/92/80/327259280.db2.gz WQWJSTAFSVTYMV-UHFFFAOYSA-N 0 1 264.398 2.825 20 30 CFEDMN C=C(C)CN(CC)[C@H]1CCN(c2ccccc2F)C1=O ZINC000152517581 327276767 /nfs/dbraw/zinc/27/67/67/327276767.db2.gz JLFYKXPLTJTCSX-HNNXBMFYSA-N 0 1 276.355 2.829 20 30 CFEDMN CCC(=O)CCCN1CCC(C#N)(c2ccccn2)CC1 ZINC000560259590 327294167 /nfs/dbraw/zinc/29/41/67/327294167.db2.gz YEBHVWBTNNNTKN-UHFFFAOYSA-N 0 1 285.391 2.698 20 30 CFEDMN Cc1nn(C(C)C)cc1C(=O)C(C#N)c1cc(C)nc(C)n1 ZINC000574532668 327344354 /nfs/dbraw/zinc/34/43/54/327344354.db2.gz ZKFDTLBDFFGBNB-CYBMUJFWSA-N 0 1 297.362 2.669 20 30 CFEDMN C=CCCCCCNC(=O)[C@H](N)c1ccc(C)cc1 ZINC000579373348 327363993 /nfs/dbraw/zinc/36/39/93/327363993.db2.gz REVRIENPTFBSTG-OAHLLOKOSA-N 0 1 260.381 2.857 20 30 CFEDMN CCCCCCCC(=O)N1CC[C@H](CN2CCOCC2)C1 ZINC000174180207 329155000 /nfs/dbraw/zinc/15/50/00/329155000.db2.gz GTWVZGJWIQKLML-MRXNPFEDSA-N 0 1 296.455 2.528 20 30 CFEDMN C#CCSCC[NH2+]Cc1c[nH]c(-c2ccccc2)n1 ZINC000175998244 329170828 /nfs/dbraw/zinc/17/08/28/329170828.db2.gz UPYIDSONFHQHDF-UHFFFAOYSA-N 0 1 271.389 2.533 20 30 CFEDMN CC#CCN1CC[C@H](c2cc(OC)cc(OC)c2)C1 ZINC000177418785 329184105 /nfs/dbraw/zinc/18/41/05/329184105.db2.gz UXFJMJFBRXWXRH-ZDUSSCGKSA-N 0 1 259.349 2.516 20 30 CFEDMN C=C(C)CN(C)Cc1cc(C(=O)OC)sc1C ZINC000181253992 329228117 /nfs/dbraw/zinc/22/81/17/329228117.db2.gz LJWTWDMBBGOMPP-UHFFFAOYSA-N 0 1 253.367 2.851 20 30 CFEDMN C=C(C)CN(C)CC(=O)N(CC)Cc1cccc(F)c1 ZINC000181297630 329230241 /nfs/dbraw/zinc/23/02/41/329230241.db2.gz FVUJUVLMTFSGEM-UHFFFAOYSA-N 0 1 278.371 2.682 20 30 CFEDMN C=C(C)CN(C)[C@@H](C)C(=O)NCCc1c[nH]c2ccccc12 ZINC000181309381 329230838 /nfs/dbraw/zinc/23/08/38/329230838.db2.gz WPMYEDHDHXAYJT-AWEZNQCLSA-N 0 1 299.418 2.723 20 30 CFEDMN C=C(C)CN(C)[C@H](C)C(=O)N(CC)c1ccccc1 ZINC000181330949 329231520 /nfs/dbraw/zinc/23/15/20/329231520.db2.gz QWXQYCQLJPFFSW-CQSZACIVSA-N 0 1 260.381 2.936 20 30 CFEDMN C=C(C)CN(C)[C@H](C)C(=O)N1CCc2sccc2C1 ZINC000181325118 329231715 /nfs/dbraw/zinc/23/17/15/329231715.db2.gz NVVHWCUEEJDWFU-GFCCVEGCSA-N 0 1 278.421 2.529 20 30 CFEDMN C=C(C)CN(C)[C@@H]1CCCN(c2ccc(C#N)cc2)C1=O ZINC000183117103 329244775 /nfs/dbraw/zinc/24/47/75/329244775.db2.gz VVRIJXMKEARWGL-MRXNPFEDSA-N 0 1 283.375 2.562 20 30 CFEDMN CCc1ccc(C(=O)C(C#N)c2ccccn2)c(C)n1 ZINC000184550901 329259849 /nfs/dbraw/zinc/25/98/49/329259849.db2.gz ILEDMNBXAGRHKF-AWEZNQCLSA-N 0 1 265.316 2.838 20 30 CFEDMN N#CCCC1CCN(CC(=O)NC2CCCCCC2)CC1 ZINC000399372729 329451980 /nfs/dbraw/zinc/45/19/80/329451980.db2.gz VXAVASISJOVZSL-UHFFFAOYSA-N 0 1 291.439 2.841 20 30 CFEDMN C=CCOc1cccc(CN2CCC(C#N)CC2)c1 ZINC000123696465 329561404 /nfs/dbraw/zinc/56/14/04/329561404.db2.gz GYRYNXOOWDJVJM-UHFFFAOYSA-N 0 1 256.349 2.987 20 30 CFEDMN CCN(CCC#N)C(=O)CN1CCC[C@@H]1c1cccc(C)c1 ZINC000079209519 330007214 /nfs/dbraw/zinc/00/72/14/330007214.db2.gz YPOFIRYQIHWOGL-QGZVFWFLSA-N 0 1 299.418 2.894 20 30 CFEDMN C=CCOc1cccc(C[N@@H+]2CCCC[C@H]2C(=O)[O-])c1 ZINC000263437517 330055840 /nfs/dbraw/zinc/05/58/40/330055840.db2.gz VDVQCYWLWBKSBJ-HNNXBMFYSA-N 0 1 275.348 2.691 20 30 CFEDMN C=CCOc1ccc(C[N@@H+](CC(=O)[O-])C(C)C)cc1OC ZINC000263518813 330058587 /nfs/dbraw/zinc/05/85/87/330058587.db2.gz PXJSVOFUOWUFBK-UHFFFAOYSA-N 0 1 293.363 2.555 20 30 CFEDMN C=CCCCC(=O)N1CCNC[C@@H]1c1ccccc1 ZINC000423988383 330217525 /nfs/dbraw/zinc/21/75/25/330217525.db2.gz AOXVOBZCGZPMJF-OAHLLOKOSA-N 0 1 258.365 2.516 20 30 CFEDMN C=CC[C@H](CO)N[C@@H](C)c1cc(-c2ccccc2)n(C)n1 ZINC000527889750 330292181 /nfs/dbraw/zinc/29/21/81/330292181.db2.gz IDEGQKBAROMLFH-DZGCQCFKSA-N 0 1 285.391 2.675 20 30 CFEDMN CC[C@H](C#N)S(=O)(=O)Nc1cccc(Cl)c1F ZINC000088475782 330376691 /nfs/dbraw/zinc/37/66/91/330376691.db2.gz FECGPVGEKNAJFS-SSDOTTSWSA-N 0 1 276.720 2.523 20 30 CFEDMN C=CCN1CCC(NC(=O)CCCC(=O)C(C)(C)C)CC1 ZINC000448922512 330888448 /nfs/dbraw/zinc/88/84/48/330888448.db2.gz RCNUXTMEMMAMFJ-UHFFFAOYSA-N 0 1 294.439 2.539 20 30 CFEDMN C[C@H](NCC1(C#N)CCC1)[C@H]1COc2ccccc21 ZINC000450740026 330997131 /nfs/dbraw/zinc/99/71/31/330997131.db2.gz SLIQQMXCUJLADL-GXTWGEPZSA-N 0 1 256.349 2.835 20 30 CFEDMN C=C(C)CN(CC[C@@H](C)O)Cc1cnn(C(C)C)c1 ZINC000450980495 331009908 /nfs/dbraw/zinc/00/99/08/331009908.db2.gz FGDPZXACSLKSFY-CQSZACIVSA-N 0 1 265.401 2.613 20 30 CFEDMN CCO[C@@H]1CCN(CC#Cc2ccccc2)C[C@H]1C ZINC000451523130 331032523 /nfs/dbraw/zinc/03/25/23/331032523.db2.gz CKVGSYJOUMZACM-NVXWUHKLSA-N 0 1 257.377 2.785 20 30 CFEDMN C=C[C@@H]1OCC[C@H]1NCc1cc2c(cc1Cl)OCCO2 ZINC000451613440 331037005 /nfs/dbraw/zinc/03/70/05/331037005.db2.gz NFXXRRVTNFEXKX-OLZOCXBDSA-N 0 1 295.766 2.544 20 30 CFEDMN CC#CCN[C@@](C)(CO)c1cc(Cl)cc(Cl)c1 ZINC000451914639 331047222 /nfs/dbraw/zinc/04/72/22/331047222.db2.gz SHYDXSXTUCMKQJ-ZDUSSCGKSA-N 0 1 272.175 2.814 20 30 CFEDMN COC[C@@H]1CCCCN1CC#Cc1ccc(F)cc1 ZINC000452035186 331051293 /nfs/dbraw/zinc/05/12/93/331051293.db2.gz GHBJPTPNOLYWSL-INIZCTEOSA-N 0 1 261.340 2.678 20 30 CFEDMN C=CC(C)(C)CNC(=O)[C@@H]1CCCN1Cc1ccccc1 ZINC000452779962 331077394 /nfs/dbraw/zinc/07/73/94/331077394.db2.gz WBRZFLOWTFUGFA-INIZCTEOSA-N 0 1 286.419 2.979 20 30 CFEDMN C=C(CC)CN[C@H](c1nnc[nH]1)c1ccc(F)cc1 ZINC000453366281 331123231 /nfs/dbraw/zinc/12/32/31/331123231.db2.gz PMBBGXKBOITXPT-ZDUSSCGKSA-N 0 1 260.316 2.589 20 30 CFEDMN C=CC(C)(C)CNC(=O)NC[C@H](c1cccs1)N(C)C ZINC000455369943 331167408 /nfs/dbraw/zinc/16/74/08/331167408.db2.gz QJQGGHMTWZMNAP-GFCCVEGCSA-N 0 1 295.452 2.862 20 30 CFEDMN C=C(C)C[C@H](C)C(=O)N1CCN(CC)C[C@H]1CC ZINC000456387001 331191979 /nfs/dbraw/zinc/19/19/79/331191979.db2.gz SDJWDOVEUIFHLH-UONOGXRCSA-N 0 1 252.402 2.531 20 30 CFEDMN CC#CCCCC(=O)Nc1ccc(F)c(F)c1O ZINC000457296034 331218458 /nfs/dbraw/zinc/21/84/58/331218458.db2.gz PKGAFTWBFCKXHQ-UHFFFAOYSA-N 0 1 253.248 2.803 20 30 CFEDMN C=C(CC)CNC(=O)N[C@H](C)c1n[nH]c([C@@H](C)CC)n1 ZINC000459082220 331269583 /nfs/dbraw/zinc/26/95/83/331269583.db2.gz FXLKGZIFQNEQMB-WDEREUQCSA-N 0 1 279.388 2.645 20 30 CFEDMN C=CC[N@H+](CCc1cncn1C)Cc1cccs1 ZINC000459285872 331274588 /nfs/dbraw/zinc/27/45/88/331274588.db2.gz CECWCLLEHWKMSJ-UHFFFAOYSA-N 0 1 261.394 2.712 20 30 CFEDMN CO[C@H](CN[C@H]1CCC[C@H]1C#N)Cc1ccccc1 ZINC000459454271 331282195 /nfs/dbraw/zinc/28/21/95/331282195.db2.gz CXQPBLAYRVKRLX-JYJNAYRXSA-N 0 1 258.365 2.526 20 30 CFEDMN Cc1ccccc1NC(=O)CCN[C@H]1CCC[C@@H]1C#N ZINC000459464484 331282992 /nfs/dbraw/zinc/28/29/92/331282992.db2.gz MJKIKPYQQWPMRQ-HIFRSBDPSA-N 0 1 271.364 2.606 20 30 CFEDMN CC(C)CN(CC#Cc1ccccc1)Cc1cnn(C)c1 ZINC000459600814 331290232 /nfs/dbraw/zinc/29/02/32/331290232.db2.gz VOGBWVQZWHWEGG-UHFFFAOYSA-N 0 1 281.403 2.930 20 30 CFEDMN C[C@H](CN(C)CC1(C#N)CCC1)C(=O)OC(C)(C)C ZINC000459829370 331302300 /nfs/dbraw/zinc/30/23/00/331302300.db2.gz PKYHIYYFHGYURX-GFCCVEGCSA-N 0 1 266.385 2.590 20 30 CFEDMN CC#CCCN1CCN(C/C=C\c2ccccc2)CC1 ZINC000462320286 331319450 /nfs/dbraw/zinc/31/94/50/331319450.db2.gz SDXYGSPCGPOGFF-FLIBITNWSA-N 0 1 268.404 2.731 20 30 CFEDMN C=CCN(CCOC)Cc1cc2ccc(F)cc2[nH]1 ZINC000488511289 332014777 /nfs/dbraw/zinc/01/47/77/332014777.db2.gz GRHDALIAZOAFLJ-UHFFFAOYSA-N 0 1 262.328 2.941 20 30 CFEDMN C=C[C@H]1CCCCN1CCc1nc2ccccc2c(=O)[nH]1 ZINC000489468756 332054547 /nfs/dbraw/zinc/05/45/47/332054547.db2.gz BYRRPAGOFZYJGL-ZDUSSCGKSA-N 0 1 283.375 2.918 20 30 CFEDMN CCc1ccc([C@H](C#N)NC(=O)CN2[C@H](C)CC[C@@H]2C)cc1 ZINC000489955941 332074239 /nfs/dbraw/zinc/07/42/39/332074239.db2.gz SJIXQSNCFYWURE-VBQJREDUSA-N 0 1 299.418 2.803 20 30 CFEDMN CCc1ccc([C@@H](C#N)NC(=O)CN2[C@H](C)CC[C@@H]2C)cc1 ZINC000489955940 332074250 /nfs/dbraw/zinc/07/42/50/332074250.db2.gz SJIXQSNCFYWURE-JKIFEVAISA-N 0 1 299.418 2.803 20 30 CFEDMN C#CCN(C(=O)[C@H]1CCCc2[nH]ncc21)C1CCCCC1 ZINC000490820301 332117840 /nfs/dbraw/zinc/11/78/40/332117840.db2.gz NBKQPTKHHOAIKJ-AWEZNQCLSA-N 0 1 285.391 2.624 20 30 CFEDMN C#CCN(CC)Cc1cn(C)nc1-c1cccs1 ZINC000490924066 332129828 /nfs/dbraw/zinc/12/98/28/332129828.db2.gz NTUPSYKXTPQKQT-UHFFFAOYSA-N 0 1 259.378 2.604 20 30 CFEDMN C#CCN1CCC(C(=O)N(C)Cc2cc(C)ccc2C)CC1 ZINC000491242711 332173229 /nfs/dbraw/zinc/17/32/29/332173229.db2.gz RVQPXBQYHIBSHD-UHFFFAOYSA-N 0 1 298.430 2.607 20 30 CFEDMN C#CCN1CCC(C(=O)N(C)[C@H](C)C2CCCCC2)CC1 ZINC000491462265 332215905 /nfs/dbraw/zinc/21/59/05/332215905.db2.gz HOXIZDLZTBWTJN-OAHLLOKOSA-N 0 1 290.451 2.759 20 30 CFEDMN C#CCN1CCC(c2nc(-c3ccc(C)c(C)n3)no2)CC1 ZINC000491523367 332228943 /nfs/dbraw/zinc/22/89/43/332228943.db2.gz DKTWMWRSABURQR-UHFFFAOYSA-N 0 1 296.374 2.561 20 30 CFEDMN C#CCN(CC)Cc1ccc(OC(=O)CC)c(OCC)c1 ZINC000491666385 332274829 /nfs/dbraw/zinc/27/48/29/332274829.db2.gz VZQDTFNOOVYHKX-UHFFFAOYSA-N 0 1 289.375 2.856 20 30 CFEDMN C#CCN(Cc1cc(CC=C)c(O)c(OC)c1)C1CC1 ZINC000491782357 332346219 /nfs/dbraw/zinc/34/62/19/332346219.db2.gz LUHGLPIPBGTDNF-UHFFFAOYSA-N 0 1 271.360 2.727 20 30 CFEDMN C#CCN(Cc1c[nH]nc1-c1ccc(OC)cc1)C1CC1 ZINC000491786076 332348893 /nfs/dbraw/zinc/34/88/93/332348893.db2.gz TTXVKLXRBIEYPP-UHFFFAOYSA-N 0 1 281.359 2.683 20 30 CFEDMN CC(C)(C)OC(=O)N1CCCC(C)(C)[C@@H]1CNCCC#N ZINC000496051874 332537293 /nfs/dbraw/zinc/53/72/93/332537293.db2.gz WDWDSSPTGJYYCW-ZDUSSCGKSA-N 0 1 295.427 2.915 20 30 CFEDMN CC(C)N(CCCNCCC#N)C(=O)OC(C)(C)C ZINC000496161976 332540770 /nfs/dbraw/zinc/54/07/70/332540770.db2.gz QSMMFKZHRJVFTO-UHFFFAOYSA-N 0 1 269.389 2.525 20 30 CFEDMN C[C@@H]1CCN(C(=O)OC(C)(C)C)[C@@H](C)[C@@H]1NCCC#N ZINC000497089764 332569702 /nfs/dbraw/zinc/56/97/02/332569702.db2.gz BZKGMOSJKKVZQH-FRRDWIJNSA-N 0 1 281.400 2.524 20 30 CFEDMN COc1cc(Br)ccc1CNCCCC#N ZINC000336699896 335113645 /nfs/dbraw/zinc/11/36/45/335113645.db2.gz NDSPZXGPYODZRV-UHFFFAOYSA-N 0 1 283.169 2.851 20 30 CFEDMN C[C@@H]1CC[C@H](C)N1CC(=O)N(CCC#N)c1ccccc1 ZINC000174508515 333001089 /nfs/dbraw/zinc/00/10/89/333001089.db2.gz KZZZSMCZGIHGCE-GASCZTMLSA-N 0 1 285.391 2.806 20 30 CFEDMN C#C[C@@H](C)N(C)Cc1cc(Br)cs1 ZINC000307105889 333012457 /nfs/dbraw/zinc/01/24/57/333012457.db2.gz YACHZZNSPGUACH-MRVPVSSYSA-N 0 1 258.184 2.964 20 30 CFEDMN CC[C@H](CC#N)NC[C@@H](O)Cc1cccc(Cl)c1 ZINC000516935916 333086785 /nfs/dbraw/zinc/08/67/85/333086785.db2.gz NFQYZNUFXMTOLI-KGLIPLIRSA-N 0 1 266.772 2.525 20 30 CFEDMN C=CCOc1ccc(C(=O)NCCCc2cn[nH]c2C)cc1 ZINC000336852867 335121691 /nfs/dbraw/zinc/12/16/91/335121691.db2.gz ZUTRNMJHTGIPHM-UHFFFAOYSA-N 0 1 299.374 2.646 20 30 CFEDMN C#CCN1CCC(C(=O)Oc2ccc(C)cc2C)CC1 ZINC000195000778 333242658 /nfs/dbraw/zinc/24/26/58/333242658.db2.gz RASFZLUPBMUPJP-UHFFFAOYSA-N 0 1 271.360 2.554 20 30 CFEDMN CCN(CCC(=O)Nc1ccccc1F)C[C@@H](C)C#N ZINC000195435012 333253122 /nfs/dbraw/zinc/25/31/22/333253122.db2.gz XFFBEIBEOIVTTM-LBPRGKRZSA-N 0 1 277.343 2.636 20 30 CFEDMN C=CCCCCCN1CC[N@H+](CC(C)(C)O)C[C@@H]1C ZINC000193571343 333253355 /nfs/dbraw/zinc/25/33/55/333253355.db2.gz PLTQXLOHZJALNU-HNNXBMFYSA-N 0 1 268.445 2.510 20 30 CFEDMN C#C[C@H](CC)NCc1ccc(OC)c(OC)c1Cl ZINC000229894637 333311065 /nfs/dbraw/zinc/31/10/65/333311065.db2.gz BRMFQURKCOJQSO-LLVKDONJSA-N 0 1 267.756 2.859 20 30 CFEDMN CC[C@H](CC(=O)NC1(C#N)CCN(C)CC1)c1ccccc1 ZINC000524686277 333371358 /nfs/dbraw/zinc/37/13/58/333371358.db2.gz IVPLDTXFMQMXJY-OAHLLOKOSA-N 0 1 299.418 2.674 20 30 CFEDMN CC[C@@H](CC#N)N[C@@H](C)CC(=O)Nc1cccc(C)c1 ZINC000547287127 334075943 /nfs/dbraw/zinc/07/59/43/334075943.db2.gz BZRVRTFUQDLVBG-KBPBESRZSA-N 0 1 273.380 2.994 20 30 CFEDMN C=CCCC(=O)CSc1nc(C(C)(C)C)n[nH]1 ZINC000134735599 334102409 /nfs/dbraw/zinc/10/24/09/334102409.db2.gz JYKWWYRPUJBEEI-UHFFFAOYSA-N 0 1 253.371 2.730 20 30 CFEDMN C=CCCC(=O)CSc1n[nH]c(C(C)(C)C)n1 ZINC000134735599 334102411 /nfs/dbraw/zinc/10/24/11/334102411.db2.gz JYKWWYRPUJBEEI-UHFFFAOYSA-N 0 1 253.371 2.730 20 30 CFEDMN Cn1cc(-c2ccccc2CNC[C@@H](C#N)CCC#N)cn1 ZINC000564345594 334149942 /nfs/dbraw/zinc/14/99/42/334149942.db2.gz DBUWZFHZYYBOGJ-CQSZACIVSA-N 0 1 293.374 2.620 20 30 CFEDMN N#CCCN(CCC(=O)Nc1ccc(C#N)cc1)CC1CC1 ZINC000081044478 334177118 /nfs/dbraw/zinc/17/71/18/334177118.db2.gz LEOOUSRPOWSJPD-UHFFFAOYSA-N 0 1 296.374 2.513 20 30 CFEDMN Cc1nc2c(cccc2C(=O)N(CCC#N)C(C)C)[nH]1 ZINC000549421879 334193251 /nfs/dbraw/zinc/19/32/51/334193251.db2.gz YEMGFHPBXJDXMY-UHFFFAOYSA-N 0 1 270.336 2.636 20 30 CFEDMN N#C[C@@H]1CC[C@@H](N2CCC(C#N)(c3ccccn3)CC2)C1 ZINC000550067126 334212248 /nfs/dbraw/zinc/21/22/48/334212248.db2.gz NAODLXRIHNFDDR-HUUCEWRRSA-N 0 1 280.375 2.631 20 30 CFEDMN C[C@H]1C[C@H](c2ccccc2)N(CC(=O)NC2(C#N)CCC2)C1 ZINC000552024657 334278042 /nfs/dbraw/zinc/27/80/42/334278042.db2.gz BZUIQJLDXJWNSI-GOEBONIOSA-N 0 1 297.402 2.632 20 30 CFEDMN CCSCCN1CCC(C#N)(c2ccccn2)CC1 ZINC000554558719 334438309 /nfs/dbraw/zinc/43/83/09/334438309.db2.gz PTVLYHDCLHFYBU-UHFFFAOYSA-N 0 1 275.421 2.692 20 30 CFEDMN C#CCN[C@@H](C)c1cnn(-c2ccc(F)cc2)c1C ZINC000157221371 334764051 /nfs/dbraw/zinc/76/40/51/334764051.db2.gz PBDLPWAFECIIFG-NSHDSACASA-N 0 1 257.312 2.604 20 30 CFEDMN N#CCC1(CNCc2cnc([C@H]3CCCO3)s2)CC1 ZINC000577133491 335306384 /nfs/dbraw/zinc/30/63/84/335306384.db2.gz YREYMUNVJYYTMR-GFCCVEGCSA-N 0 1 277.393 2.778 20 30 CFEDMN C[N@H+](CCN1CCC(CC#N)CC1)Cc1ccccc1 ZINC000577349734 335341354 /nfs/dbraw/zinc/34/13/54/335341354.db2.gz XEZUOGYVVLBYBH-UHFFFAOYSA-N 0 1 271.408 2.744 20 30 CFEDMN C[C@@H](C#N)CN[C@H](C)CC(=O)Nc1cccc(Cl)c1 ZINC000183827314 335908490 /nfs/dbraw/zinc/90/84/90/335908490.db2.gz CHDSILQYPIQEIZ-WDEREUQCSA-N 0 1 279.771 2.806 20 30 CFEDMN Cc1ccc(NC(=O)C[C@H](C)NC[C@@H](C)C#N)c(C)c1 ZINC000183833175 335908780 /nfs/dbraw/zinc/90/87/80/335908780.db2.gz VCNIUSFPYCWQPE-JSGCOSHPSA-N 0 1 273.380 2.770 20 30 CFEDMN CCc1ccccc1NC(=O)C[C@H](C)NC[C@@H](C)C#N ZINC000183836153 335909208 /nfs/dbraw/zinc/90/92/08/335909208.db2.gz YLBZGFGQXRRCGN-STQMWFEESA-N 0 1 273.380 2.715 20 30 CFEDMN Cc1cc(F)ccc1N1CCC[C@@H](NCCC#N)C1 ZINC000581483661 336087076 /nfs/dbraw/zinc/08/70/76/336087076.db2.gz CKIDXAKGBFLCQH-CQSZACIVSA-N 0 1 261.344 2.606 20 30 CFEDMN C=CCOCCC[N@@H+](CC1CC1)[C@@](C)(CC)C(=O)[O-] ZINC000581835701 336150148 /nfs/dbraw/zinc/15/01/48/336150148.db2.gz HVAUROVJZOGOGU-HNNXBMFYSA-N 0 1 269.385 2.544 20 30 CFEDMN C=C(C)CN1CC[C@@H]1CN(C)C(=O)C1CC(C)(C)C1 ZINC001085578425 782104283 /nfs/dbraw/zinc/10/42/83/782104283.db2.gz NJVMGYZSUKTSGZ-CQSZACIVSA-N 0 1 264.413 2.531 20 30 CFEDMN C=CCCN1CC[C@H]1CN(C)C(=O)c1cc(C)cs1 ZINC001085585057 782106718 /nfs/dbraw/zinc/10/67/18/782106718.db2.gz RYMSNXVIPSUHLO-ZDUSSCGKSA-N 0 1 278.421 2.779 20 30 CFEDMN C=CCCN1CC[C@@H]1CN(C)C(=O)c1cc(C)cs1 ZINC001085585056 782106925 /nfs/dbraw/zinc/10/69/25/782106925.db2.gz RYMSNXVIPSUHLO-CYBMUJFWSA-N 0 1 278.421 2.779 20 30 CFEDMN C#CCCN1CC[C@H]1CN(C)C(=O)[C@H]1CCCC2(CC2)C1 ZINC001085594157 782111646 /nfs/dbraw/zinc/11/16/46/782111646.db2.gz AHAOVQOKSMIRDP-HOTGVXAUSA-N 0 1 288.435 2.513 20 30 CFEDMN C=C(C)CN1CC[C@H]1CN(C)C(=O)c1cccc(C)c1F ZINC001085609968 782114826 /nfs/dbraw/zinc/11/48/26/782114826.db2.gz FQCAASKEXKJMNQ-AWEZNQCLSA-N 0 1 290.382 2.857 20 30 CFEDMN CC(C)[N@H+]1CCC[C@H]1C(=O)NC1(c2cccc(C#N)c2)CC1 ZINC000935026252 649866278 /nfs/dbraw/zinc/86/62/78/649866278.db2.gz DMAGGKVGAPDJBO-INIZCTEOSA-N 0 1 297.402 2.536 20 30 CFEDMN C=CCCN1CC[C@H]1CN(C)C(=O)c1ccc(CC)o1 ZINC001085677686 782134590 /nfs/dbraw/zinc/13/45/90/782134590.db2.gz SIUXHIFAYXQODQ-ZDUSSCGKSA-N 0 1 276.380 2.564 20 30 CFEDMN CC(C)C[C@@H](CO)N(C)Cc1cccc(C#N)c1F ZINC000360494914 519217162 /nfs/dbraw/zinc/21/71/62/519217162.db2.gz HZVBNCINIRGOPP-AWEZNQCLSA-N 0 1 264.344 2.536 20 30 CFEDMN C=CCCN1CC[C@H]1CN(C)C(=O)c1cc2cnccc2o1 ZINC001085699999 782136939 /nfs/dbraw/zinc/13/69/39/782136939.db2.gz BNYIFWQMEBJUAO-AWEZNQCLSA-N 0 1 299.374 2.550 20 30 CFEDMN COc1cc(-c2ccc(O)c(F)c2F)ncc1C#N ZINC001243339284 782143787 /nfs/dbraw/zinc/14/37/87/782143787.db2.gz PRRQRZOGYUCZKN-UHFFFAOYSA-N 0 1 262.215 2.613 20 30 CFEDMN COC(=O)c1cc(C#N)ccc1-c1ccc(O)c(F)c1F ZINC001243339304 782144072 /nfs/dbraw/zinc/14/40/72/782144072.db2.gz OERGLMFZSYDQGA-UHFFFAOYSA-N 0 1 289.237 2.996 20 30 CFEDMN C=C(C)CN1CC[C@@H]1CN(C)C(=O)[C@H]1CCC1(C)C ZINC001085775193 782155903 /nfs/dbraw/zinc/15/59/03/782155903.db2.gz ROXSMRJIGOTWEB-ZIAGYGMSSA-N 0 1 264.413 2.531 20 30 CFEDMN C=CCC[N@@H+]1CC[C@H]1CN(C)C(=O)c1cc[nH]c1C(C)C ZINC001085779864 782159006 /nfs/dbraw/zinc/15/90/06/782159006.db2.gz FCCKHLBFMXSAJA-AWEZNQCLSA-N 0 1 289.423 2.861 20 30 CFEDMN C[C@H](NCc1cccc(OCCCC#N)c1)c1cnn(C)c1 ZINC000344558817 533929229 /nfs/dbraw/zinc/92/92/29/533929229.db2.gz YZHCNXSIONXWRH-AWEZNQCLSA-N 0 1 298.390 2.953 20 30 CFEDMN C[C@@H](c1cccc(C#N)c1)N(C)Cc1ccnc(N)c1 ZINC000425538420 534082386 /nfs/dbraw/zinc/08/23/86/534082386.db2.gz RUXQKSHXADIVHS-LBPRGKRZSA-N 0 1 266.348 2.559 20 30 CFEDMN CC(C)C[C@H]1COCCN1CCOc1cccc(C#N)c1 ZINC000072978481 519416978 /nfs/dbraw/zinc/41/69/78/519416978.db2.gz BXYRTMCJBNGQJB-INIZCTEOSA-N 0 1 288.391 2.684 20 30 CFEDMN CC(C)C1CCN(CC(=O)Nc2ccc(C#N)cc2)CC1 ZINC000173587989 519571959 /nfs/dbraw/zinc/57/19/59/519571959.db2.gz UQRDEHHULIHHGM-UHFFFAOYSA-N 0 1 285.391 2.865 20 30 CFEDMN CCC1(CO)CCN(Cc2ccc(C#N)c(F)c2)CC1 ZINC000192138568 519844380 /nfs/dbraw/zinc/84/43/80/519844380.db2.gz RVOQJDDCTZDSFL-UHFFFAOYSA-N 0 1 276.355 2.682 20 30 CFEDMN CC(C)n1cc(C#N)c(=NC(=O)[C@H](C)CC(C)(C)C)[nH]1 ZINC000361862593 519931229 /nfs/dbraw/zinc/93/12/29/519931229.db2.gz PBZUYGVQOBTMCU-LLVKDONJSA-N 0 1 276.384 2.768 20 30 CFEDMN CC[C@@H](C)N(C)Cc1nnc(-c2ccc(C#N)cc2)o1 ZINC000072601567 522064656 /nfs/dbraw/zinc/06/46/56/522064656.db2.gz ZFLNYDUSSHYRDY-LLVKDONJSA-N 0 1 270.336 2.839 20 30 CFEDMN COc1cc(CNCc2ccc(C#N)s2)ccc1C#N ZINC000353217516 522465108 /nfs/dbraw/zinc/46/51/08/522465108.db2.gz YYHVVRHJWHMGSS-UHFFFAOYSA-N 0 1 283.356 2.790 20 30 CFEDMN CC[C@@H](O)[C@@H]1CCCCN1Cc1cn2ccccc2c1C#N ZINC000074287576 523012164 /nfs/dbraw/zinc/01/21/64/523012164.db2.gz ZVMHYYNSFGZBKC-ZWKOTPCHSA-N 0 1 297.402 2.936 20 30 CFEDMN CC[C@H]1CCCC[C@@H]1C(=O)N=c1[nH]n(C(C)C)cc1C#N ZINC000361762483 523035109 /nfs/dbraw/zinc/03/51/09/523035109.db2.gz BEVGQXKSJJQBGH-JSGCOSHPSA-N 0 1 288.395 2.912 20 30 CFEDMN CN(Cc1ccc(C#N)c(F)c1)C[C@H]1CCCCO1 ZINC000361691039 523207680 /nfs/dbraw/zinc/20/76/80/523207680.db2.gz ADDONRSTQBJLRF-CQSZACIVSA-N 0 1 262.328 2.698 20 30 CFEDMN COc1ccc(C#N)cc1CN1CCC[C@H](n2cccn2)C1 ZINC000158081040 523523706 /nfs/dbraw/zinc/52/37/06/523523706.db2.gz BTUDAPZXLJNKKJ-INIZCTEOSA-N 0 1 296.374 2.600 20 30 CFEDMN CO[C@@H]1CCN(Cc2ccc(F)c(C#N)c2)C[C@H]1C ZINC000335166437 523688326 /nfs/dbraw/zinc/68/83/26/523688326.db2.gz APPXBEODKSJJDV-IAQYHMDHSA-N 0 1 262.328 2.554 20 30 CFEDMN CN(C(=O)Cc1n[nH]c2ccccc21)c1cccc(C#N)c1 ZINC000050611844 523854354 /nfs/dbraw/zinc/85/43/54/523854354.db2.gz QQMRZROHEKUDCG-UHFFFAOYSA-N 0 1 290.326 2.640 20 30 CFEDMN O=C(N[C@@H]1CCCc2cn[nH]c21)c1cc(=O)[nH]c(C2CC2)c1 ZINC000329976392 534762537 /nfs/dbraw/zinc/76/25/37/534762537.db2.gz YQGURJFHOQBOBS-GFCCVEGCSA-N 0 1 298.346 2.770 20 30 CFEDMN O=C(CCC1CCOCC1)N[C@H]1CCCc2cn[nH]c21 ZINC000330100289 534765841 /nfs/dbraw/zinc/76/58/41/534765841.db2.gz DJZNFQGXIPCVBF-ZDUSSCGKSA-N 0 1 277.368 2.950 20 30 CFEDMN C[C@@H]1CCCN(CC(=O)Nc2cccc(C#N)c2)[C@@H]1C ZINC000050564750 524216589 /nfs/dbraw/zinc/21/65/89/524216589.db2.gz KEPVFNGBFSOZTA-CHWSQXEVSA-N 0 1 271.364 2.617 20 30 CFEDMN C[C@@H]1CCCN(CC(=O)Nc2cccc(C#N)c2)CC1 ZINC000068837960 524216863 /nfs/dbraw/zinc/21/68/63/524216863.db2.gz GYWGFHKEOHNBFU-CYBMUJFWSA-N 0 1 271.364 2.619 20 30 CFEDMN C[C@@H](C(=O)Nc1nc(C2CCC2)n[nH]1)c1cccc(C#N)c1 ZINC000360784509 524283721 /nfs/dbraw/zinc/28/37/21/524283721.db2.gz XMDWHVFSJNTUHB-SNVBAGLBSA-N 0 1 295.346 2.686 20 30 CFEDMN C[C@@H](C(=O)Nc1n[nH]c(C2CCC2)n1)c1cccc(C#N)c1 ZINC000360784509 524283731 /nfs/dbraw/zinc/28/37/31/524283731.db2.gz XMDWHVFSJNTUHB-SNVBAGLBSA-N 0 1 295.346 2.686 20 30 CFEDMN C[C@@H](N[C@H](C)c1cccnc1)C(=O)Nc1ccccc1C#N ZINC000194722489 525662324 /nfs/dbraw/zinc/66/23/24/525662324.db2.gz WJWSHFYLLSIWAT-CHWSQXEVSA-N 0 1 294.358 2.631 20 30 CFEDMN C[C@@H](O)C[C@@H]1CCCCN1Cc1cccc(C#N)c1F ZINC000222571705 525821297 /nfs/dbraw/zinc/82/12/97/525821297.db2.gz LSCPCDHYSZRJDV-DOMZBBRYSA-N 0 1 276.355 2.823 20 30 CFEDMN C=C(C)CN(C)C(=O)NC[C@H](c1ccsc1)N(C)C ZINC000351917459 526488333 /nfs/dbraw/zinc/48/83/33/526488333.db2.gz POARKHNFVDTIHE-CYBMUJFWSA-N 0 1 281.425 2.568 20 30 CFEDMN N#Cc1c(F)cccc1CN1CC[C@H](O)C12CCCC2 ZINC000336130624 526523119 /nfs/dbraw/zinc/52/31/19/526523119.db2.gz OKQTXCMVZYPGBR-HNNXBMFYSA-N 0 1 274.339 2.577 20 30 CFEDMN N#Cc1cc(CN2CCC(c3cnccn3)CC2)ccc1F ZINC000365150353 526548147 /nfs/dbraw/zinc/54/81/47/526548147.db2.gz JUHLFELXTDHVBK-UHFFFAOYSA-N 0 1 296.349 2.867 20 30 CFEDMN C=C(C)CN(CCOC1CCC1)Cc1ccc(CO)o1 ZINC000347204471 526552513 /nfs/dbraw/zinc/55/25/13/526552513.db2.gz NHFWUYJTQKAQLN-UHFFFAOYSA-N 0 1 279.380 2.719 20 30 CFEDMN CN(Cc1cc(C(C)(C)C)[nH]n1)c1cnccc1C#N ZINC000444883587 536456583 /nfs/dbraw/zinc/45/65/83/536456583.db2.gz ZLHVWNHLVVXDNI-UHFFFAOYSA-N 0 1 269.352 2.610 20 30 CFEDMN N#Cc1ccc(F)c(CN2CCCC[C@H]2C2(O)CC2)c1 ZINC000334793270 526637269 /nfs/dbraw/zinc/63/72/69/526637269.db2.gz XODWDUVKBKWCRE-HNNXBMFYSA-N 0 1 274.339 2.577 20 30 CFEDMN C#CCCN1CC[C@@H]1CN(C)C(=O)c1ccc(CCC)cc1 ZINC001085792506 782164261 /nfs/dbraw/zinc/16/42/61/782164261.db2.gz MAMZYCKNDJXOPD-GOSISDBHSA-N 0 1 298.430 2.809 20 30 CFEDMN N#Cc1ccccc1C[N@@H+]1CCCC[C@@H]1CCC(=O)[O-] ZINC000050924984 526734994 /nfs/dbraw/zinc/73/49/94/526734994.db2.gz GYMBEEUOTSKOSW-OAHLLOKOSA-N 0 1 272.348 2.778 20 30 CFEDMN C=CCOCCCN[C@H](C)c1c(F)cncc1F ZINC000353232958 526760254 /nfs/dbraw/zinc/76/02/54/526760254.db2.gz PHAOOJBBNWABMP-SNVBAGLBSA-N 0 1 256.296 2.603 20 30 CFEDMN C=CCOc1ccc(CN2CCSC[C@@H]2CCO)cc1 ZINC000355080832 526871254 /nfs/dbraw/zinc/87/12/54/526871254.db2.gz DWYZXMWHYDTACP-HNNXBMFYSA-N 0 1 293.432 2.551 20 30 CFEDMN C=C1CCN(C(=O)[C@@H](C)N2CCc3ccccc3C2)CC1 ZINC000336147723 526894987 /nfs/dbraw/zinc/89/49/87/526894987.db2.gz OLZUZTUMFKHNIL-OAHLLOKOSA-N 0 1 284.403 2.612 20 30 CFEDMN C=CCC(C)(C)CNC(=O)c1cc(O)cc([N+](=O)[O-])c1 ZINC000352546342 527015573 /nfs/dbraw/zinc/01/55/73/527015573.db2.gz TXPDAGOYGZXXDC-UHFFFAOYSA-N 0 1 278.308 2.633 20 30 CFEDMN C=C[C@@H](CO)N[C@H](COC)c1cccc(C(F)(F)F)c1 ZINC000353576755 527444815 /nfs/dbraw/zinc/44/48/15/527444815.db2.gz OQFYKRHCXAPKIX-QWHCGFSZSA-N 0 1 289.297 2.529 20 30 CFEDMN CC1=C[C@@H](C)CN([C@H](C)C(=O)Nc2cccc(C#N)c2)C1 ZINC000430283679 528131600 /nfs/dbraw/zinc/13/16/00/528131600.db2.gz ZUJACCHLKUHCRG-TZMCWYRMSA-N 0 1 283.375 2.783 20 30 CFEDMN CC(C)C[C@@H](N)c1noc(COc2ccc(C#N)cc2)n1 ZINC000414617759 528350003 /nfs/dbraw/zinc/35/00/03/528350003.db2.gz LUINMLFNWWLODA-CYBMUJFWSA-N 0 1 286.335 2.566 20 30 CFEDMN CC(C)N1CCN(c2cc(C(F)(F)F)cnc2C#N)CC1 ZINC000413043705 529043795 /nfs/dbraw/zinc/04/37/95/529043795.db2.gz LYDITUCBPHOFEN-UHFFFAOYSA-N 0 1 298.312 2.502 20 30 CFEDMN C[C@@H]1CC(NC(=O)c2ccc(C(F)F)c(F)c2)=NO1 ZINC000935137353 649879569 /nfs/dbraw/zinc/87/95/69/649879569.db2.gz WBAPHAVVUZIJGC-ZCFIWIBFSA-N 0 1 272.226 2.615 20 30 CFEDMN CC(C)C[N@@H+](CCC(=O)[O-])Cc1ccc(OCC#N)cc1 ZINC000736432150 574051081 /nfs/dbraw/zinc/05/10/81/574051081.db2.gz DZTNNHQRISNLCR-UHFFFAOYSA-N 0 1 290.363 2.522 20 30 CFEDMN CCn1nccc1CN[C@@H](C)c1ccc(OCC#N)cc1 ZINC000753850114 574051591 /nfs/dbraw/zinc/05/15/91/574051591.db2.gz ZJPUTOAPLKSBSQ-ZDUSSCGKSA-N 0 1 284.363 2.656 20 30 CFEDMN C(=NNC1=N[C@@H]2CCCC[C@H]2N1)c1coc2ccccc12 ZINC000753931534 574055632 /nfs/dbraw/zinc/05/56/32/574055632.db2.gz ZOOLQDWCNUQXDN-ZIAGYGMSSA-N 0 1 282.347 2.627 20 30 CFEDMN Clc1cccc(C=NNC2=N[C@@H]3CCCC[C@H]3N2)c1 ZINC000753933848 574055999 /nfs/dbraw/zinc/05/59/99/574055999.db2.gz DGHFQSJBNXMBQB-CHWSQXEVSA-N 0 1 276.771 2.534 20 30 CFEDMN Fc1c(Cl)cccc1C=NNC1=N[C@H]2CCCC[C@@H]2N1 ZINC000753934206 574056135 /nfs/dbraw/zinc/05/61/35/574056135.db2.gz HJRQPCPGEAHXGX-RYUDHWBXSA-N 0 1 294.761 2.673 20 30 CFEDMN Clc1ccc(C=NNC2=N[C@@H]3CCCC[C@@H]3N2)s1 ZINC000753934633 574056250 /nfs/dbraw/zinc/05/62/50/574056250.db2.gz IWYQVOJPZNPUEY-AOOOYVTPSA-N 0 1 282.800 2.595 20 30 CFEDMN CCC(=NNC1=N[C@@H]2CCCC[C@H]2N1)c1ccc(F)cc1 ZINC000753938041 574056635 /nfs/dbraw/zinc/05/66/35/574056635.db2.gz HYQMXUNTJFOWGJ-HUUCEWRRSA-N 0 1 288.370 2.800 20 30 CFEDMN CC(=NNC1=N[C@@H]2CCCC[C@@H]2N1)c1ccc2c(c1)CCC2 ZINC000753937629 574056871 /nfs/dbraw/zinc/05/68/71/574056871.db2.gz YLWPIVYJUIYZEE-CALCHBBNSA-N 0 1 296.418 2.759 20 30 CFEDMN Clc1ccccc1C=NNC1=N[C@@H]2CCCC[C@H]2N1 ZINC000753940763 574057010 /nfs/dbraw/zinc/05/70/10/574057010.db2.gz VJJCFTDZZVWRPA-CHWSQXEVSA-N 0 1 276.771 2.534 20 30 CFEDMN Cc1cccc2nc([C@@H](C#N)C(=O)C3=COCCC3)[nH]c21 ZINC000744159346 574057126 /nfs/dbraw/zinc/05/71/26/574057126.db2.gz BTQSFRXSRXZKBW-LBPRGKRZSA-N 0 1 281.315 2.742 20 30 CFEDMN C#CCN(CC(=O)N1C[C@H](C)C[C@H](C)C1)C1CCCCC1 ZINC000744212612 574061692 /nfs/dbraw/zinc/06/16/92/574061692.db2.gz UOUIRSOAVSDYHU-IYBDPMFKSA-N 0 1 290.451 2.759 20 30 CFEDMN CCc1cc(CNc2cc(C(C)=O)ccc2C#N)n[nH]1 ZINC000754038635 574064869 /nfs/dbraw/zinc/06/48/69/574064869.db2.gz VEKJOTGFNJZLLD-UHFFFAOYSA-N 0 1 268.320 2.658 20 30 CFEDMN C[C@H]1CC(N=Nc2ccc(F)cc2F)CN1C1CC1 ZINC000753967109 574084206 /nfs/dbraw/zinc/08/42/06/574084206.db2.gz MKPWAXUKBWMVPS-VIFPVBQESA-N 0 1 265.307 2.989 20 30 CFEDMN CC(C)[N@@H+]1CC(N=Nc2cccc(C(=O)[O-])c2)[C@H](C)C1 ZINC000754255744 574084706 /nfs/dbraw/zinc/08/47/06/574084706.db2.gz RTSWFIZQVLLZNT-LLVKDONJSA-N 0 1 275.352 2.513 20 30 CFEDMN Cc1ncccc1C=NN=c1[nH]c2ccccc2n1C ZINC000728781284 574108517 /nfs/dbraw/zinc/10/85/17/574108517.db2.gz PWEOVLZGUJIYSL-UHFFFAOYSA-N 0 1 265.320 2.723 20 30 CFEDMN Cc1ncccc1C=NNc1nnc(-c2ccccc2)n1C ZINC000728781668 574108960 /nfs/dbraw/zinc/10/89/60/574108960.db2.gz ZNRRGTWYUWOYDH-UHFFFAOYSA-N 0 1 292.346 2.632 20 30 CFEDMN CCc1ccc(C=NNCCN2CCCCC2)s1 ZINC000731152254 574111047 /nfs/dbraw/zinc/11/10/47/574111047.db2.gz YRSYSUXRFTXGKM-UHFFFAOYSA-N 0 1 265.426 2.720 20 30 CFEDMN Cc1cc(NN=Cc2ccc(OC(F)F)c(F)c2)ncn1 ZINC000754705123 574115118 /nfs/dbraw/zinc/11/51/18/574115118.db2.gz NYIAXXYRHNXTNF-UHFFFAOYSA-N 0 1 296.252 2.972 20 30 CFEDMN Cc1cc(NN=Cc2ccc(Cl)s2)ncn1 ZINC000731935912 574135946 /nfs/dbraw/zinc/13/59/46/574135946.db2.gz VOCCOZYSTLZFOR-UHFFFAOYSA-N 0 1 252.730 2.946 20 30 CFEDMN CC(=NNc1ccccc1[N+](=O)[O-])c1cncc(F)c1 ZINC000737416710 574139610 /nfs/dbraw/zinc/13/96/10/574139610.db2.gz SHPAHTABSRMYDM-UHFFFAOYSA-N 0 1 274.255 2.965 20 30 CFEDMN C[N@@H+](Cc1ccc(F)cc1C#N)[C@H](C(=O)[O-])c1ccccc1 ZINC000737472368 574144309 /nfs/dbraw/zinc/14/43/09/574144309.db2.gz OWOUYTLSDGFHKT-INIZCTEOSA-N 0 1 298.317 2.955 20 30 CFEDMN C=C(Br)C[N@H+](C)[C@@H](Cc1ccccc1)C(=O)[O-] ZINC000737495128 574144747 /nfs/dbraw/zinc/14/47/47/574144747.db2.gz GOSAYJAKOMCISY-LBPRGKRZSA-N 0 1 298.180 2.523 20 30 CFEDMN C=CCN1CCC(Nc2ncc(Cl)s2)CC1 ZINC000379427127 574149686 /nfs/dbraw/zinc/14/96/86/574149686.db2.gz CNILOOHJWLBFTK-UHFFFAOYSA-N 0 1 257.790 2.859 20 30 CFEDMN CN(C)c1ccc(C=NOCc2cccnc2)cc1 ZINC000746588461 574156758 /nfs/dbraw/zinc/15/67/58/574156758.db2.gz NTTRIIIFXLDBJK-UHFFFAOYSA-N 0 1 255.321 2.698 20 30 CFEDMN COc1cc([N+](=O)[O-])ccc1N=NCc1ccco1 ZINC000746680211 574162854 /nfs/dbraw/zinc/16/28/54/574162854.db2.gz RHSJTOIAZJDGMN-UHFFFAOYSA-N 0 1 261.237 2.642 20 30 CFEDMN CCn1ccnc1CN=Nc1ccc(F)cc1F ZINC000755464420 574163528 /nfs/dbraw/zinc/16/35/28/574163528.db2.gz PWYOSTJFSUICFD-UHFFFAOYSA-N 0 1 250.252 2.627 20 30 CFEDMN Cc1nc[nH]c1C=NNC(=S)Nc1c(C)cccc1C ZINC000755491373 574165235 /nfs/dbraw/zinc/16/52/35/574165235.db2.gz YDFDZBJISFACQV-UHFFFAOYSA-N 0 1 287.392 2.655 20 30 CFEDMN Oc1c(F)cccc1C=NNc1nc2ccccc2[nH]1 ZINC000755490355 574165407 /nfs/dbraw/zinc/16/54/07/574165407.db2.gz NVWYWOMBIMZYGS-UHFFFAOYSA-N 0 1 270.267 2.854 20 30 CFEDMN FC(F)Oc1cccc(C=NNCCN2CCCCC2)c1 ZINC000747047933 574177334 /nfs/dbraw/zinc/17/73/34/574177334.db2.gz MWDMVNXAIRPPMP-UHFFFAOYSA-N 0 1 297.349 2.697 20 30 CFEDMN Cc1ccc(NN=Cc2cn3cccc(F)c3n2)nc1 ZINC000755688719 574177879 /nfs/dbraw/zinc/17/78/79/574177879.db2.gz DAMFEQYWNMECBW-UHFFFAOYSA-N 0 1 269.283 2.623 20 30 CFEDMN Cc1ccc(NN=Cc2cnc([C@H]3CCCO3)s2)nn1 ZINC000755699340 574178738 /nfs/dbraw/zinc/17/87/38/574178738.db2.gz NWVYFBQNIMCDFZ-LLVKDONJSA-N 0 1 289.364 2.539 20 30 CFEDMN NC(=O)c1cccc(CN=Nc2cccc(F)c2F)c1 ZINC000755750436 574184242 /nfs/dbraw/zinc/18/42/42/574184242.db2.gz OQNPYOJXYGBKEJ-UHFFFAOYSA-N 0 1 275.258 2.510 20 30 CFEDMN Cc1ccnc(NN=Cc2cnc3c(C)cccn23)c1 ZINC000755770977 574186305 /nfs/dbraw/zinc/18/63/05/574186305.db2.gz QNTYBTFMGGTIMW-UHFFFAOYSA-N 0 1 265.320 2.792 20 30 CFEDMN CC[C@@H](OC)C(=O)C(C#N)c1nc(C(C)C)cs1 ZINC000747199126 574187094 /nfs/dbraw/zinc/18/70/94/574187094.db2.gz PJFJXOMUGCUETG-MWLCHTKSSA-N 0 1 266.366 2.868 20 30 CFEDMN CC(=NNc1nnc(-c2ccccc2)n1C)c1ccoc1 ZINC000755890175 574194107 /nfs/dbraw/zinc/19/41/07/574194107.db2.gz KODKPZLMJJGFNC-UHFFFAOYSA-N 0 1 281.319 2.911 20 30 CFEDMN COc1cc(C=NNc2cc(C)ccn2)cc(OC)c1 ZINC000755904069 574196015 /nfs/dbraw/zinc/19/60/15/574196015.db2.gz VLCJUVRFUMLNBD-UHFFFAOYSA-N 0 1 271.320 2.853 20 30 CFEDMN Cc1ccnc(NN=Cc2cccc3c2OCCCO3)c1 ZINC000755903312 574196112 /nfs/dbraw/zinc/19/61/12/574196112.db2.gz PLIXLWGMCOCGFA-UHFFFAOYSA-N 0 1 283.331 2.997 20 30 CFEDMN C#CCOc1ccc(C=NNc2cc(C)ccn2)cc1 ZINC000755906868 574196608 /nfs/dbraw/zinc/19/66/08/574196608.db2.gz SBVWILFZIUJTTO-UHFFFAOYSA-N 0 1 265.316 2.848 20 30 CFEDMN COC(=O)c1ccccc1CN=Nc1cc(C)ccn1 ZINC000755907444 574196627 /nfs/dbraw/zinc/19/66/27/574196627.db2.gz ZRPNYXJXGYMLJS-UHFFFAOYSA-N 0 1 269.304 2.623 20 30 CFEDMN N#CC(C(=O)NCc1ccccc1)C(=O)[C@H]1CC12CCCC2 ZINC000747480037 574197597 /nfs/dbraw/zinc/19/75/97/574197597.db2.gz QJDNBVPLNRMHGI-LSDHHAIUSA-N 0 1 296.370 2.592 20 30 CFEDMN C[C@H](C=Nn1cnnc1)c1cccc(Br)c1 ZINC000747623990 574203774 /nfs/dbraw/zinc/20/37/74/574203774.db2.gz GUQQTBHHOPMOPI-SECBINFHSA-N 0 1 279.141 2.678 20 30 CFEDMN C=CCNC(=S)NC[C@H](c1ccc(Cl)cc1)N(C)C ZINC000747658752 574204989 /nfs/dbraw/zinc/20/49/89/574204989.db2.gz FRVNRJZQPZPLDV-CYBMUJFWSA-N 0 1 297.855 2.593 20 30 CFEDMN CC(N=Nc1ccnc(N(C)C)n1)c1cccc(F)c1 ZINC000739413997 574212990 /nfs/dbraw/zinc/21/29/90/574212990.db2.gz RZFWBOWMVQLKNH-UHFFFAOYSA-N 0 1 273.315 2.518 20 30 CFEDMN Oc1ccc(C=NNc2cccc(C(F)(F)F)n2)c(O)c1 ZINC000739421050 574213062 /nfs/dbraw/zinc/21/30/62/574213062.db2.gz CFXHWPYZRDSKJM-UHFFFAOYSA-N 0 1 297.236 2.958 20 30 CFEDMN C#CCN1CCC[C@@H]1COC(=O)CCCC(C)(C)C ZINC000729811821 574233054 /nfs/dbraw/zinc/23/30/54/574233054.db2.gz CVNJPSZSXWNBLA-CQSZACIVSA-N 0 1 265.397 2.844 20 30 CFEDMN C#CCN1CCC[C@H]1COC(=O)CCCc1ccccc1 ZINC000729810009 574233206 /nfs/dbraw/zinc/23/32/06/574233206.db2.gz QSJFJFOUCXBOOZ-KRWDZBQOSA-N 0 1 285.387 2.650 20 30 CFEDMN C#CCN1CCC[C@@H]1COC(=O)C[C@@H]1CCCC[C@H]1C ZINC000729812150 574233654 /nfs/dbraw/zinc/23/36/54/574233654.db2.gz NFQLEJPNTHJPGK-OWCLPIDISA-N 0 1 277.408 2.844 20 30 CFEDMN Cc1ccc(N=NC(C)c2ccc(N(C)C)cc2)nn1 ZINC000729935632 574238519 /nfs/dbraw/zinc/23/85/19/574238519.db2.gz HZJDFSHNQVLDEF-UHFFFAOYSA-N 0 1 269.352 2.687 20 30 CFEDMN Cc1ccc(NN=Cc2cnc(C(C)(C)C)s2)nn1 ZINC000729938416 574238961 /nfs/dbraw/zinc/23/89/61/574238961.db2.gz UPWHPNRGKVXALC-UHFFFAOYSA-N 0 1 275.381 2.985 20 30 CFEDMN CC(=NNc1ccccn1)c1cnn(-c2ccccn2)c1C ZINC000748243763 574243260 /nfs/dbraw/zinc/24/32/60/574243260.db2.gz DGDUOLCLYSSBII-UHFFFAOYSA-N 0 1 292.346 2.807 20 30 CFEDMN C#CCN1CCC[C@H]1COC(=O)C1(CC(C)C)CCC1 ZINC000756542454 574244894 /nfs/dbraw/zinc/24/48/94/574244894.db2.gz MRFQRLVRLNHHSP-HNNXBMFYSA-N 0 1 277.408 2.844 20 30 CFEDMN C#CCN1CCC[C@H]1COC(=O)c1ccc(C(F)F)cc1 ZINC000756551688 574246337 /nfs/dbraw/zinc/24/63/37/574246337.db2.gz PJPGUEUHFFIQAQ-AWEZNQCLSA-N 0 1 293.313 2.879 20 30 CFEDMN C#CCN1CCC[C@H]1COC(=O)CCCSC(C)(C)C ZINC000756552642 574246644 /nfs/dbraw/zinc/24/66/44/574246644.db2.gz RNUCXLRTGOZIFY-AWEZNQCLSA-N 0 1 297.464 2.939 20 30 CFEDMN C#CCN1CCC[C@H]1COC(=O)CCc1cccc(C)c1 ZINC000756554337 574246865 /nfs/dbraw/zinc/24/68/65/574246865.db2.gz YCZSTLHCEDOXEF-KRWDZBQOSA-N 0 1 285.387 2.568 20 30 CFEDMN c1ccc2c(N=NCc3cccc4c3OCO4)cnnc2c1 ZINC000733750381 574255180 /nfs/dbraw/zinc/25/51/80/574255180.db2.gz WLFJFBHFQRNWAN-UHFFFAOYSA-N 0 1 292.298 2.805 20 30 CFEDMN C=CC[C@H](CO)C[NH2+][C@@H](C)c1cc(Cl)ccc1[O-] ZINC000756788915 574263592 /nfs/dbraw/zinc/26/35/92/574263592.db2.gz YQZCBIUFOWCYNJ-QWRGUYRKSA-N 0 1 269.772 2.881 20 30 CFEDMN CC(=Nn1cnnc1)[C@H](C)c1nc2ccccc2s1 ZINC000748778665 574265567 /nfs/dbraw/zinc/26/55/67/574265567.db2.gz OLIBJFNZFZWIFV-VIFPVBQESA-N 0 1 271.349 2.916 20 30 CFEDMN COc1ccc2c(c1)C(N=Nc1ccncc1Cl)CC2 ZINC000756842572 574267323 /nfs/dbraw/zinc/26/73/23/574267323.db2.gz VPMUXAVSXPCGSV-UHFFFAOYSA-N 0 1 287.750 2.928 20 30 CFEDMN CN(C)c1ccc(C(N)=NOCCCOC(C)(C)C)cc1 ZINC000756859890 574269239 /nfs/dbraw/zinc/26/92/39/574269239.db2.gz GMJJBDTYOXNBHR-UHFFFAOYSA-N 0 1 293.411 2.595 20 30 CFEDMN Brc1ccc(CN=Nc2ccccn2)cn1 ZINC000756878069 574270229 /nfs/dbraw/zinc/27/02/29/574270229.db2.gz YDZKTIUYPZZBAS-UHFFFAOYSA-N 0 1 277.125 2.685 20 30 CFEDMN C[C@@H](C(=O)OCc1cccc(C#N)c1)N1[C@H](C)CC[C@@H]1C ZINC000741015728 574277789 /nfs/dbraw/zinc/27/77/89/574277789.db2.gz DMSFQWGWXYAQAR-MJBXVCDLSA-N 0 1 286.375 2.863 20 30 CFEDMN C[C@@H](OC(=O)c1[nH]nc2c1CCC2)c1ccc(C#N)cc1 ZINC000749061728 574278402 /nfs/dbraw/zinc/27/84/02/574278402.db2.gz BCAFBVJWFKIAKN-SNVBAGLBSA-N 0 1 281.315 2.688 20 30 CFEDMN C[C@H](C(=O)OCc1ccccc1C#N)N1CCCCCC1 ZINC000741028954 574278787 /nfs/dbraw/zinc/27/87/87/574278787.db2.gz KBZJITXXQLZMTC-CQSZACIVSA-N 0 1 286.375 2.866 20 30 CFEDMN CCCNN=C1CC[N@@H+](Cc2ccccc2)C[C@@H]1C ZINC000734365721 574283942 /nfs/dbraw/zinc/28/39/42/574283942.db2.gz QXOLDKLWJAWOCK-AWEZNQCLSA-N 0 1 259.397 2.884 20 30 CFEDMN C=CCOC(=O)[C@H]1CCCN(Cc2cccc(F)c2)C1 ZINC000741327059 574287132 /nfs/dbraw/zinc/28/71/32/574287132.db2.gz OVZQYYAZNVGDOU-AWEZNQCLSA-N 0 1 277.339 2.767 20 30 CFEDMN CCc1cc(CNc2nc(C(F)(F)F)ccc2C#N)n[nH]1 ZINC000734479166 574288244 /nfs/dbraw/zinc/28/82/44/574288244.db2.gz GUABCDBXZNHMDD-UHFFFAOYSA-N 0 1 295.268 2.870 20 30 CFEDMN C(=NNCCN1CCCCC1)c1ccc2ccccc2n1 ZINC000741461444 574291153 /nfs/dbraw/zinc/29/11/53/574291153.db2.gz ICAPAIIVMWWLRB-UHFFFAOYSA-N 0 1 282.391 2.644 20 30 CFEDMN COc1ccc(C=NNc2ccccc2[N+](=O)[O-])cc1C#N ZINC000741760509 574301346 /nfs/dbraw/zinc/30/13/46/574301346.db2.gz ZRXIRBNPSSMGGX-UHFFFAOYSA-N 0 1 296.286 2.921 20 30 CFEDMN CC(C)CON=C1CCN(Cc2ccccn2)C[C@H]1C ZINC000749636013 574303715 /nfs/dbraw/zinc/30/37/15/574303715.db2.gz CQKLRNFASNOCIH-CQSZACIVSA-N 0 1 275.396 2.952 20 30 CFEDMN C=CCCN1CCN(C(=O)OC(C)(C)C)[C@H](C)C1 ZINC000741798309 574304291 /nfs/dbraw/zinc/30/42/91/574304291.db2.gz HTOVYEHSVNXZNY-GFCCVEGCSA-N 0 1 254.374 2.504 20 30 CFEDMN C=CCCC[N@H+](CC)Cc1ccc(-c2nn[nH]n2)cc1 ZINC000735413274 574322886 /nfs/dbraw/zinc/32/28/86/574322886.db2.gz RMGFGTWREAFVBG-UHFFFAOYSA-N 0 1 271.368 2.655 20 30 CFEDMN C[C@H](C#N)Oc1ccc(CN[C@H](C)c2cnn(C)c2)cc1 ZINC000742372755 574325563 /nfs/dbraw/zinc/32/55/63/574325563.db2.gz VUBITASGDIAWKQ-CHWSQXEVSA-N 0 1 284.363 2.562 20 30 CFEDMN C[C@H](c1ccc(C#N)cc1)[N@H+]1CC[C@@H](CN(C)C(=O)[O-])C1 ZINC000739054351 574333240 /nfs/dbraw/zinc/33/32/40/574333240.db2.gz QLLGCKYCUSSKOO-OCCSQVGLSA-N 0 1 287.363 2.551 20 30 CFEDMN Cc1cccc(C=Nn2c(=O)c3ccccc3[nH]c2=S)c1 ZINC000725857615 574333574 /nfs/dbraw/zinc/33/35/74/574333574.db2.gz AATXWDTWJPPYTD-UHFFFAOYSA-N 0 1 295.367 2.876 20 30 CFEDMN CSCCC(=O)[C@@H](C#N)c1nc2cccc(C)c2[nH]1 ZINC000735788743 574335522 /nfs/dbraw/zinc/33/55/22/574335522.db2.gz LERVOZDTZDSGQK-SNVBAGLBSA-N 0 1 273.361 2.801 20 30 CFEDMN O=c1c2ccccc2[nH]c(=S)n1N=Cc1ccccc1F ZINC000725860060 574335685 /nfs/dbraw/zinc/33/56/85/574335685.db2.gz VVCAEWJGDZHMOC-UHFFFAOYSA-N 0 1 299.330 2.707 20 30 CFEDMN Cc1noc(C)c1[C@H](C)C(=O)C(C#N)c1cc(C)nc(C)n1 ZINC000750390617 574337589 /nfs/dbraw/zinc/33/75/89/574337589.db2.gz AIOXBQPRRNFRED-ZANVPECISA-N 0 1 298.346 2.678 20 30 CFEDMN Oc1ccc2c(c1)CCCC2=NNCCN1CCCCC1 ZINC000750934749 574363872 /nfs/dbraw/zinc/36/38/72/574363872.db2.gz PIESPIUPLHXRNE-UHFFFAOYSA-N 0 1 287.407 2.508 20 30 CFEDMN C(=Nn1cnc2ccccc21)c1cc(-c2cccnc2)[nH]n1 ZINC000743433849 574363936 /nfs/dbraw/zinc/36/39/36/574363936.db2.gz MRXFUJXNPQZUCN-UHFFFAOYSA-N 0 1 288.314 2.704 20 30 CFEDMN Cc1ccc([N-]N=C2CCN(Cc3ccccc3)C2=O)[nH+]c1 ZINC000743437151 574364386 /nfs/dbraw/zinc/36/43/86/574364386.db2.gz ATSHBOVBIFJGCM-UHFFFAOYSA-N 0 1 294.358 2.590 20 30 CFEDMN CO[C@H](CN[C@@H](C)c1ccc(C#N)cc1)C(F)(F)F ZINC000743477355 574366237 /nfs/dbraw/zinc/36/62/37/574366237.db2.gz QSCLTJQKIOCVBX-JOYOIKCWSA-N 0 1 272.270 2.786 20 30 CFEDMN Cn1nnc2cc(/C=C/C(=O)c3ccc(O)c(F)c3)ccc21 ZINC000751031385 574368636 /nfs/dbraw/zinc/36/86/36/574368636.db2.gz ILGVANXXZDXBNU-ZZXKWVIFSA-N 0 1 297.289 2.709 20 30 CFEDMN O=[N+]([O-])c1ccc(O)cc1C=NNc1ccccc1F ZINC000751130312 574369981 /nfs/dbraw/zinc/36/99/81/574369981.db2.gz IASITAOGDSIXIO-UHFFFAOYSA-N 0 1 275.239 2.886 20 30 CFEDMN Cc1ccc(N=NC2CN(Cc3ccccc3)C[C@@H]2C)nn1 ZINC000751529760 574378587 /nfs/dbraw/zinc/37/85/87/574378587.db2.gz VLRWSXIRUJIZKG-ZDUSSCGKSA-N 0 1 295.390 2.705 20 30 CFEDMN C#CCCSc1nc(C=Cc2ccc(C)o2)n[nH]1 ZINC000751769484 574382603 /nfs/dbraw/zinc/38/26/03/574382603.db2.gz PNGIDJQSTJTRFJ-BQYQJAHWSA-N 0 1 259.334 2.992 20 30 CFEDMN C#CCCCCCC(=O)Nc1cc(N(C)C)ccn1 ZINC000753014071 574397577 /nfs/dbraw/zinc/39/75/77/574397577.db2.gz WRMGZFNWYWFCHP-UHFFFAOYSA-N 0 1 259.353 2.670 20 30 CFEDMN C#CCCN1CCc2c(ncn2-c2ccc(C)cc2)C1 ZINC000753796221 574410460 /nfs/dbraw/zinc/41/04/60/574410460.db2.gz ZETAIMHZCNRLDG-UHFFFAOYSA-N 0 1 265.360 2.562 20 30 CFEDMN C[C@@H](C#N)C[N@H+](Cc1ccc(C(=O)[O-])cc1)C1CC1 ZINC000819873863 597387443 /nfs/dbraw/zinc/38/74/43/597387443.db2.gz DTUZZJGFYGZYND-NSHDSACASA-N 0 1 258.321 2.509 20 30 CFEDMN C[C@@H](C#N)C[N@@H+](Cc1ccc(C(=O)[O-])cc1)C1CC1 ZINC000819873863 597387448 /nfs/dbraw/zinc/38/74/48/597387448.db2.gz DTUZZJGFYGZYND-NSHDSACASA-N 0 1 258.321 2.509 20 30 CFEDMN C#CC1(NCc2ccnc(Cl)c2F)CCCC1 ZINC000895678239 619580546 /nfs/dbraw/zinc/58/05/46/619580546.db2.gz XXIWARCRTCKLSV-UHFFFAOYSA-N 0 1 252.720 2.910 20 30 CFEDMN C=C(C)COc1cc(C[N@@H+](C)[C@H](C)C(=O)[O-])ccc1OC ZINC000819706089 598132610 /nfs/dbraw/zinc/13/26/10/598132610.db2.gz MYKCHCXBIZZYHM-GFCCVEGCSA-N 0 1 293.363 2.555 20 30 CFEDMN C=CCOc1cccc(C[N@H+](CC(=O)[O-])CC(C)C)c1 ZINC000901590145 620864145 /nfs/dbraw/zinc/86/41/45/620864145.db2.gz KQBLPLNPGJOZJP-UHFFFAOYSA-N 0 1 277.364 2.794 20 30 CFEDMN CCCCCCCN=Nc1oc(C)nc1-c1nn[nH]n1 ZINC000825271395 607886842 /nfs/dbraw/zinc/88/68/42/607886842.db2.gz IYGHYLSDGQQXEB-UHFFFAOYSA-N 0 1 277.332 2.531 20 30 CFEDMN CC(C)C[N@@H+](CCCC(C)(C)C#N)CCC(=O)[O-] ZINC000826875538 601113669 /nfs/dbraw/zinc/11/36/69/601113669.db2.gz BSKJFCGSDYZRGO-UHFFFAOYSA-N 0 1 254.374 2.749 20 30 CFEDMN C/C(=C\C[N@@H+](Cc1ccc(C#N)cc1)C(C)C)C(=O)[O-] ZINC000825729702 601159611 /nfs/dbraw/zinc/15/96/11/601159611.db2.gz KYYBVBZJOCANAZ-MDWZMJQESA-N 0 1 272.348 2.800 20 30 CFEDMN N#C[C@@H](c1ccccc1)[C@@H]1CCC[N@@H+]1CCCC(=O)[O-] ZINC000821320785 601429523 /nfs/dbraw/zinc/42/95/23/601429523.db2.gz YNUXDPVYVOLMNW-GJZGRUSLSA-N 0 1 272.348 2.623 20 30 CFEDMN CCC[N@@H+](CC#Cc1ccc(C(F)(F)F)cc1)CC(=O)[O-] ZINC000829464934 601447000 /nfs/dbraw/zinc/44/70/00/601447000.db2.gz VNNQTXXNMQYZJX-UHFFFAOYSA-N 0 1 299.292 2.854 20 30 CFEDMN C#CC[N@H+](Cc1cc(C)c(C(=O)[O-])o1)C1CCCC1 ZINC000688848270 601664005 /nfs/dbraw/zinc/66/40/05/601664005.db2.gz XJDNPUGKBMEGHY-UHFFFAOYSA-N 0 1 261.321 2.664 20 30 CFEDMN C#CC[N@H+](Cc1cc(C(=O)[O-])c(C)o1)C1CCCC1 ZINC000688848733 601664149 /nfs/dbraw/zinc/66/41/49/601664149.db2.gz ZLVOPBQOPFOAAH-UHFFFAOYSA-N 0 1 261.321 2.664 20 30 CFEDMN CC1(C)CCCN(C(=O)c2cccc(F)c2O)[C@@H]1C#N ZINC000935662733 649927310 /nfs/dbraw/zinc/92/73/10/649927310.db2.gz JFQVWZBZBACWKN-GFCCVEGCSA-N 0 1 276.311 2.686 20 30 CFEDMN CCCCCCC[N@H+]1CCSC[C@H]1CC(=O)[O-] ZINC000118004248 601893470 /nfs/dbraw/zinc/89/34/70/601893470.db2.gz HLFRYLUXCFDAHK-GFCCVEGCSA-N 0 1 259.415 2.849 20 30 CFEDMN CC(C)[C@H](CC[N@@H+](C)Cc1cccc(C#N)c1)NC(=O)[O-] ZINC000824105227 603823242 /nfs/dbraw/zinc/82/32/42/603823242.db2.gz QIBDWMLUKJMDRK-HNNXBMFYSA-N 0 1 289.379 2.672 20 30 CFEDMN C#CCN(C(=O)[C@@H]1C[C@@H](C)Cc2c[nH]nc21)C1CCCCC1 ZINC000900413386 620672125 /nfs/dbraw/zinc/67/21/25/620672125.db2.gz WESULJYUQAUPKJ-XJKSGUPXSA-N 0 1 299.418 2.870 20 30 CFEDMN N#CCC[N@@H+](Cc1ccccc1C(=O)[O-])CC1CC1 ZINC000833760564 604634630 /nfs/dbraw/zinc/63/46/30/604634630.db2.gz YKCXXHRHQKGFNI-UHFFFAOYSA-N 0 1 258.321 2.510 20 30 CFEDMN N#CCC[N@H+](Cc1ccccc1C(=O)[O-])CC1CC1 ZINC000833760564 604634631 /nfs/dbraw/zinc/63/46/31/604634631.db2.gz YKCXXHRHQKGFNI-UHFFFAOYSA-N 0 1 258.321 2.510 20 30 CFEDMN CC(C)(C(=O)[O-])[C@@H]1CCC[N@@H+](Cc2ccc(C#N)cc2)C1 ZINC000169106372 604930518 /nfs/dbraw/zinc/93/05/18/604930518.db2.gz ZGRCZTBBUHEPKM-OAHLLOKOSA-N 0 1 286.375 2.881 20 30 CFEDMN C=C(CC)C[N@@H+](CC(=O)[O-])Cc1cc(Cl)ccc1O ZINC000833369950 605014480 /nfs/dbraw/zinc/01/44/80/605014480.db2.gz HPDACGNRJSUVAO-UHFFFAOYSA-N 0 1 283.755 2.898 20 30 CFEDMN CC(C)N(Cc1cn([C@H]2CC[C@@H](C#N)C2)nn1)C(C)C ZINC000900486238 620681630 /nfs/dbraw/zinc/68/16/30/620681630.db2.gz GQXXZSHYECKUJU-HIFRSBDPSA-N 0 1 275.400 2.762 20 30 CFEDMN C=C(C)C[N@H+](CC)Cc1ccc(OCC(=O)[O-])cc1 ZINC000833369242 605293071 /nfs/dbraw/zinc/29/30/71/605293071.db2.gz MMBWVEMIPLYOSZ-UHFFFAOYSA-N 0 1 263.337 2.548 20 30 CFEDMN C=CC[N@@H+](Cc1cc(C(=O)[O-])ccc1F)C(C)C ZINC000394981423 605828896 /nfs/dbraw/zinc/82/88/96/605828896.db2.gz IAWGUFCTAJJRPR-UHFFFAOYSA-N 0 1 251.301 2.920 20 30 CFEDMN C=CCCC[N@H+](C)Cc1cc(C(=O)[O-])ccc1F ZINC000382546875 605834473 /nfs/dbraw/zinc/83/44/73/605834473.db2.gz PBWPOBRRPMSTRD-UHFFFAOYSA-N 0 1 251.301 2.922 20 30 CFEDMN N#Cc1ccc(C[N@@H+]2CCC3(C2)CCN(C(=O)[O-])CC3)cc1 ZINC000833971584 605898765 /nfs/dbraw/zinc/89/87/65/605898765.db2.gz KKPDRCLUXOLEIY-UHFFFAOYSA-N 0 1 299.374 2.524 20 30 CFEDMN C#CCN(C)[C@@H]1CCN(C(=O)[C@@H](C)CC2CCCCC2)C1 ZINC000972458760 613082260 /nfs/dbraw/zinc/08/22/60/613082260.db2.gz VFUYSRPJSMCWNT-DOTOQJQBSA-N 0 1 290.451 2.759 20 30 CFEDMN C#CCN(C)[C@@H]1CCN(C(=O)[C@H](CC)CC2CCCC2)C1 ZINC000972472387 613083595 /nfs/dbraw/zinc/08/35/95/613083595.db2.gz MWMYGLDTSUYSLI-IAGOWNOFSA-N 0 1 290.451 2.759 20 30 CFEDMN C#CCN(C)[C@H]1CCN(C(=O)C[C@H]2CCCCC2(C)C)C1 ZINC000980566191 613090590 /nfs/dbraw/zinc/09/05/90/613090590.db2.gz JCDJSUHIJMPYHB-CVEARBPZSA-N 0 1 290.451 2.759 20 30 CFEDMN C#CCN(C)[C@H]1CCN(C(=O)[C@]2(C)CCC(C)=C(C)C2)C1 ZINC000980516023 613093286 /nfs/dbraw/zinc/09/32/86/613093286.db2.gz QPMJCRRPAZJYPJ-FUHWJXTLSA-N 0 1 288.435 2.679 20 30 CFEDMN C#CCN1CCCC2(CN(C(=O)C(C)(C)C(C)(C)C)C2)C1 ZINC000981933891 613140037 /nfs/dbraw/zinc/14/00/37/613140037.db2.gz YDLXMGFROOYKLV-UHFFFAOYSA-N 0 1 290.451 2.616 20 30 CFEDMN C#CCN1CCCCC[C@@H]1CNC(=O)[C@H]1CC[C@H](C)CC1 ZINC000969121410 613146045 /nfs/dbraw/zinc/14/60/45/613146045.db2.gz HMJRIFGIRZTCJR-BRWVUGGUSA-N 0 1 290.451 2.807 20 30 CFEDMN C#CCN1CCCCC[C@@H]1CNC(=O)c1sccc1C ZINC000968715669 613148567 /nfs/dbraw/zinc/14/85/67/613148567.db2.gz BYRVIPWICSRXNG-CQSZACIVSA-N 0 1 290.432 2.664 20 30 CFEDMN C#CCN1CCCCC[C@H]1CNC(=O)c1cc(C)c(C)o1 ZINC000968807027 613149094 /nfs/dbraw/zinc/14/90/94/613149094.db2.gz WIGVRUCHOFOEPD-HNNXBMFYSA-N 0 1 288.391 2.504 20 30 CFEDMN C#CCN1CCCCC[C@H]1CNC(=O)c1ccc(C)cc1 ZINC000969126615 613149146 /nfs/dbraw/zinc/14/91/46/613149146.db2.gz HJSICHQGNQETEY-KRWDZBQOSA-N 0 1 284.403 2.603 20 30 CFEDMN C#CCN1CCCCC[C@H]1CNC(=O)c1ccccc1CC ZINC000969002046 613149437 /nfs/dbraw/zinc/14/94/37/613149437.db2.gz JCIKBCMWHQFONH-KRWDZBQOSA-N 0 1 298.430 2.857 20 30 CFEDMN C#CCN1CC[C@@H](C)[C@H](NC(=O)CC2CCCCCC2)C1 ZINC000968366149 613218229 /nfs/dbraw/zinc/21/82/29/613218229.db2.gz SNRCRWYMYKBQKN-NVXWUHKLSA-N 0 1 290.451 2.807 20 30 CFEDMN C#CCN1CC[C@@H](NC(=O)c2csc(Cl)c2)C[C@@H]1C ZINC000947776804 613243251 /nfs/dbraw/zinc/24/32/51/613243251.db2.gz YMTACDZXQBOWRC-CMPLNLGQSA-N 0 1 296.823 2.617 20 30 CFEDMN C=C(C)CCN1CCN(C(=O)C2(C(C)C)CC2)CC1 ZINC000950389738 613256892 /nfs/dbraw/zinc/25/68/92/613256892.db2.gz PYBOSFUEFTWXGA-UHFFFAOYSA-N 0 1 264.413 2.533 20 30 CFEDMN C=C(C)CCN1CCN(C(=O)C2CCC=CCC2)CC1 ZINC000957682949 613257312 /nfs/dbraw/zinc/25/73/12/613257312.db2.gz IODOYLIKVVRDEV-UHFFFAOYSA-N 0 1 276.424 2.843 20 30 CFEDMN C=C(C)CCN1CCN(C(=O)C[C@@H]2CC[C@@H](C)C2)CC1 ZINC000949737301 613257680 /nfs/dbraw/zinc/25/76/80/613257680.db2.gz BVORRZZFCPZTFO-HZPDHXFCSA-N 0 1 278.440 2.923 20 30 CFEDMN C=C(C)CCN1CCN(C(=O)[C@@H]2C[C@H]2C(C)(C)C)CC1 ZINC000949246709 613259777 /nfs/dbraw/zinc/25/97/77/613259777.db2.gz NELQSJLXWVOVBV-HUUCEWRRSA-N 0 1 278.440 2.779 20 30 CFEDMN C=C(C)CCN1CCN(C(=O)[C@@H]2C[C@]2(C)C(C)C)CC1 ZINC000956980292 613259846 /nfs/dbraw/zinc/25/98/46/613259846.db2.gz WJLVDTYZDRRQKL-DOTOQJQBSA-N 0 1 278.440 2.779 20 30 CFEDMN C=C(C)CCN1CCN(C(=O)[C@H](C)c2ccccc2)CC1 ZINC000957393634 613259944 /nfs/dbraw/zinc/25/99/44/613259944.db2.gz UNJFJSQMOAZCMR-MRXNPFEDSA-N 0 1 286.419 2.901 20 30 CFEDMN C=C(C)CCN1CCN(C(=O)[C@H]2C[C@]2(C)CC)CC1 ZINC000956973543 613260176 /nfs/dbraw/zinc/26/01/76/613260176.db2.gz FLJIMTKUHRXQER-ZBFHGGJFSA-N 0 1 264.413 2.533 20 30 CFEDMN C=C(C)CCN1CCN(C(=O)[C@H]2CCCC2(C)C)CC1 ZINC000949725980 613260249 /nfs/dbraw/zinc/26/02/49/613260249.db2.gz YBQVRBXFQYNWIG-OAHLLOKOSA-N 0 1 278.440 2.923 20 30 CFEDMN C=C(C)CCN1CCN(C(=O)c2cc(F)cc(F)c2)CC1 ZINC000957564271 613261301 /nfs/dbraw/zinc/26/13/01/613261301.db2.gz JIFKZPDOHJAHOV-UHFFFAOYSA-N 0 1 294.345 2.689 20 30 CFEDMN C#CCN1CC[C@H](NC(=O)c2cc3ccccc3o2)C[C@H]1C ZINC000948002816 613267222 /nfs/dbraw/zinc/26/72/22/613267222.db2.gz WTUSEPONRUPYTL-HIFRSBDPSA-N 0 1 296.370 2.649 20 30 CFEDMN C#CCN1C[C@@H](NC(=O)C2CC(C(C)(C)C)C2)C(C)(C)C1 ZINC000977663744 613280097 /nfs/dbraw/zinc/28/00/97/613280097.db2.gz UIFQGJPNULFPGT-YMAMQOFZSA-N 0 1 290.451 2.519 20 30 CFEDMN C#CCN1C[C@@H](NC(=O)c2c(C)cc(C)cc2C)C(C)(C)C1 ZINC000977555313 613282810 /nfs/dbraw/zinc/28/28/10/613282810.db2.gz XRXBVZKAUAQGGA-MRXNPFEDSA-N 0 1 298.430 2.685 20 30 CFEDMN C#CCN1C[C@H](NC(=O)C2CCCCCCC2)C(C)(C)C1 ZINC000974805834 613296827 /nfs/dbraw/zinc/29/68/27/613296827.db2.gz XVKNKCVNCQJCII-INIZCTEOSA-N 0 1 290.451 2.807 20 30 CFEDMN C=C(C)CN1CC([C@@H](C)NC(=O)c2cc(F)ccc2F)C1 ZINC000969846002 613299967 /nfs/dbraw/zinc/29/99/67/613299967.db2.gz RQLSHSRLCRFKSX-LLVKDONJSA-N 0 1 294.345 2.591 20 30 CFEDMN C=C(C)CN1CC([C@H](C)NC(=O)c2ccc(Cl)o2)C1 ZINC000969307861 613303118 /nfs/dbraw/zinc/30/31/18/613303118.db2.gz KOIQYNWBWIGMMK-JTQLQIEISA-N 0 1 282.771 2.559 20 30 CFEDMN C=C(C)CN1CCCN(C(=O)[C@H]2C[C@@H]2C2CCCC2)CC1 ZINC000983227599 613311376 /nfs/dbraw/zinc/31/13/76/613311376.db2.gz WUXFJEBVVCZHNM-SJORKVTESA-N 0 1 290.451 2.923 20 30 CFEDMN C=C(C)CN1CCCN(C(=O)[C@H]2C[C@]2(C)CC)CC1 ZINC000983411788 613311477 /nfs/dbraw/zinc/31/14/77/613311477.db2.gz NGEQQJDPNLZWPC-ZBFHGGJFSA-N 0 1 264.413 2.533 20 30 CFEDMN C=C(C)CN1CCCN(C(=O)c2oc(C)cc2C)CC1 ZINC000980926267 613313637 /nfs/dbraw/zinc/31/36/37/613313637.db2.gz ITALWNIEQMSXQG-UHFFFAOYSA-N 0 1 276.380 2.620 20 30 CFEDMN C=C(C)CN1CC[C@@H](C)[C@H](NC(=O)c2occc2Cl)C1 ZINC000968234680 613326331 /nfs/dbraw/zinc/32/63/31/613326331.db2.gz PSORYWJKTSHCTM-DGCLKSJQSA-N 0 1 296.798 2.949 20 30 CFEDMN C=C(C)CN1CC[C@H](C)[C@@H](NC(=O)c2ccc(F)s2)C1 ZINC000968695380 613333150 /nfs/dbraw/zinc/33/31/50/613333150.db2.gz OEMULHISSYSULF-RYUDHWBXSA-N 0 1 296.411 2.904 20 30 CFEDMN C=C(C)CN1CC[C@H](C)[C@@H](NC(=O)c2sccc2F)C1 ZINC000965996354 613333582 /nfs/dbraw/zinc/33/35/82/613333582.db2.gz QACINAHEFOIGQH-AAEUAGOBSA-N 0 1 296.411 2.904 20 30 CFEDMN C=C(C)CN1C[C@@H](NC(=O)c2ccc(F)s2)C(C)(C)C1 ZINC000977640843 613338628 /nfs/dbraw/zinc/33/86/28/613338628.db2.gz NWUOORZAAYCTDY-GFCCVEGCSA-N 0 1 296.411 2.904 20 30 CFEDMN C=C(C)CN1C[C@H](NC(=O)c2ccc(CC)o2)C(C)(C)C1 ZINC000974749540 613342068 /nfs/dbraw/zinc/34/20/68/613342068.db2.gz FUTGPGJPDTWHOH-HNNXBMFYSA-N 0 1 290.407 2.858 20 30 CFEDMN C=C(Cl)CN1CCC[C@@H](N(C)C(=O)c2cc[nH]c2)CC1 ZINC000948397309 613374392 /nfs/dbraw/zinc/37/43/92/613374392.db2.gz PHKNNUYPMREBBN-CQSZACIVSA-N 0 1 295.814 2.694 20 30 CFEDMN C=C(Cl)CN[C@@H]1CCN(C(=O)c2cc(C)cs2)C1 ZINC000968595350 613385715 /nfs/dbraw/zinc/38/57/15/613385715.db2.gz SXJHAZDIEGGRAP-LLVKDONJSA-N 0 1 284.812 2.613 20 30 CFEDMN C=C(Cl)CN[C@@H]1CN(C(=O)C2CCC=CCC2)C[C@H]1C ZINC000939775940 613386293 /nfs/dbraw/zinc/38/62/93/613386293.db2.gz JQKFASSGKLPECR-IUODEOHRSA-N 0 1 296.842 2.922 20 30 CFEDMN C=C1CC(C)(C(=O)N2CCN(CC3CC(C)C3)CC2)C1 ZINC000950385781 613393477 /nfs/dbraw/zinc/39/34/77/613393477.db2.gz LBRZHIPRYNZOLK-UHFFFAOYSA-N 0 1 276.424 2.533 20 30 CFEDMN C=C1CCC(C(=O)N2CCN(CC3CC(C)C3)CC2)CC1 ZINC000950047503 613404903 /nfs/dbraw/zinc/40/49/03/613404903.db2.gz YHGVPOGGUXJBJQ-UHFFFAOYSA-N 0 1 290.451 2.923 20 30 CFEDMN C=C[C@@H](C(=O)N1CCN(CCCC)CC1)c1ccccc1 ZINC000957744013 613441183 /nfs/dbraw/zinc/44/11/83/613441183.db2.gz HEBZHBYQMFFMRE-QGZVFWFLSA-N 0 1 286.419 2.901 20 30 CFEDMN C=CCCN1CCN(C(=O)C(C)(C)C2CCC2)CC1 ZINC000949510316 613502151 /nfs/dbraw/zinc/50/21/51/613502151.db2.gz NPSRZXBUFLDAID-UHFFFAOYSA-N 0 1 264.413 2.533 20 30 CFEDMN C=CCCN1CCN(C(=O)C[C@@H]2CCCC[C@H]2C)CC1 ZINC000957867253 613503795 /nfs/dbraw/zinc/50/37/95/613503795.db2.gz HJYCMCICKFCXHH-CVEARBPZSA-N 0 1 278.440 2.923 20 30 CFEDMN C=CCCN1CCN(C(=O)[C@@H](C)c2cc(C)oc2C)CC1 ZINC000951769019 613505045 /nfs/dbraw/zinc/50/50/45/613505045.db2.gz MQRIUAYSEXMCLI-AWEZNQCLSA-N 0 1 290.407 2.720 20 30 CFEDMN C=CCCN1CCN(C(=O)c2cc(CC(C)C)c[nH]2)CC1 ZINC000957351113 613509729 /nfs/dbraw/zinc/50/97/29/613509729.db2.gz HOFFRHAYSBQXKZ-UHFFFAOYSA-N 0 1 289.423 2.547 20 30 CFEDMN C=CCCN1CCN(C(=O)c2cccc3cc[nH]c32)CC1 ZINC000950630898 613511113 /nfs/dbraw/zinc/51/11/13/613511113.db2.gz RBDJJSUNOOOZOD-UHFFFAOYSA-N 0 1 283.375 2.502 20 30 CFEDMN C=Cc1ccc(C(=O)N[C@H]2CN(CC#CC)CC2(C)C)cc1 ZINC000975062546 613515782 /nfs/dbraw/zinc/51/57/82/613515782.db2.gz GFIFAXPWFABGBR-KRWDZBQOSA-N 0 1 296.414 2.793 20 30 CFEDMN CC#CCN1CC([C@H](C)NC(=O)[C@H]2CCCCC2(C)C)C1 ZINC000970948976 613536900 /nfs/dbraw/zinc/53/69/00/613536900.db2.gz UXXJJTVTZCSREA-GOEBONIOSA-N 0 1 290.451 2.663 20 30 CFEDMN CC#CCN1CC[C@@H](C)[C@@H](NC(=O)c2cc(C)ccc2C)C1 ZINC000968588006 613572349 /nfs/dbraw/zinc/57/23/49/613572349.db2.gz JAAXFQUFSNLIIN-AEFFLSMTSA-N 0 1 298.430 2.767 20 30 CFEDMN CC#CCN1C[C@@H](NC(=O)C[C@@H]2C=CCCC2)C(C)(C)C1 ZINC000974738595 613607980 /nfs/dbraw/zinc/60/79/80/613607980.db2.gz IVZHUOVRVGUTIS-HZPDHXFCSA-N 0 1 288.435 2.583 20 30 CFEDMN CC#CCN1C[C@@H](NC(=O)c2cc(C)cc(C)c2)C(C)(C)C1 ZINC000977527318 613610226 /nfs/dbraw/zinc/61/02/26/613610226.db2.gz BBBNHPVVUOTFPY-QGZVFWFLSA-N 0 1 298.430 2.767 20 30 CFEDMN CC#CCN1C[C@H](NC(=O)CC2CCCCC2)C(C)(C)C1 ZINC000972788904 613620286 /nfs/dbraw/zinc/62/02/86/613620286.db2.gz LLTJKVMRMASSNO-INIZCTEOSA-N 0 1 290.451 2.807 20 30 CFEDMN CC#CCN1C[C@H](NC(=O)[C@H]2CC[C@H](C)CC2)C(C)(C)C1 ZINC000977499462 613621163 /nfs/dbraw/zinc/62/11/63/613621163.db2.gz HZVLTGMPCSIYFD-JYJNAYRXSA-N 0 1 290.451 2.663 20 30 CFEDMN CC#CCN1C[C@H](NC(=O)[C@H](C)c2ccccc2)C(C)(C)C1 ZINC000977529577 613622624 /nfs/dbraw/zinc/62/26/24/613622624.db2.gz XHLLYQFKWMNXFY-WBVHZDCISA-N 0 1 298.430 2.640 20 30 CFEDMN CC#CCN1C[C@H](NC(=O)c2ccc(CC)cc2)C(C)(C)C1 ZINC000977566502 613623386 /nfs/dbraw/zinc/62/33/86/613623386.db2.gz XLHRWBHDHIJWBF-KRWDZBQOSA-N 0 1 298.430 2.713 20 30 CFEDMN C=CCN1CC([C@@H](C)NC(=O)C2CC(C(C)(C)C)C2)C1 ZINC000970951571 613661680 /nfs/dbraw/zinc/66/16/80/613661680.db2.gz UIOFQTKXMWHRSQ-DNOWBOINSA-N 0 1 278.440 2.681 20 30 CFEDMN C=CCN1CC([C@@H](C)NC(=O)c2ccc(Cl)s2)C1 ZINC000970841675 613665130 /nfs/dbraw/zinc/66/51/30/613665130.db2.gz PKVXUFZWKMAGBN-SECBINFHSA-N 0 1 284.812 2.638 20 30 CFEDMN C=CCN1CC([C@@H](C)NC(=O)c2ccc3occc3c2)C1 ZINC000969724809 613666027 /nfs/dbraw/zinc/66/60/27/613666027.db2.gz HNCVOVXAJVUCCZ-GFCCVEGCSA-N 0 1 284.359 2.669 20 30 CFEDMN C=CCN1CC([C@@H](C)NC(=O)c2cnc(C(C)C)s2)C1 ZINC000970998302 613666983 /nfs/dbraw/zinc/66/69/83/613666983.db2.gz DMMBZOIBGKQWRH-LLVKDONJSA-N 0 1 293.436 2.503 20 30 CFEDMN C=CCN1CC([C@H](C)NC(=O)C2CC(c3ccccc3)C2)C1 ZINC000970962830 613668230 /nfs/dbraw/zinc/66/82/30/613668230.db2.gz ZIZOOSMULSHMMD-OOHWJJMZSA-N 0 1 298.430 2.803 20 30 CFEDMN C=CCN1CC([C@H](C)NC(=O)[C@@H]2CCC=CCCC2)C1 ZINC000969946137 613668701 /nfs/dbraw/zinc/66/87/01/613668701.db2.gz AULZSOHETDAVJK-LSDHHAIUSA-N 0 1 276.424 2.745 20 30 CFEDMN C=CCN1CC([C@H](C)NC(=O)[C@@H]2C[C@H]2CC(C)(C)C)C1 ZINC000969704883 613669296 /nfs/dbraw/zinc/66/92/96/613669296.db2.gz QXOUVSXHJGBSGX-KCQAQPDRSA-N 0 1 278.440 2.681 20 30 CFEDMN C=CCN1CC([C@H](C)NC(=O)c2cccc(C)c2C)C1 ZINC000970830903 613671910 /nfs/dbraw/zinc/67/19/10/613671910.db2.gz WHRWWMZROZPXHA-AWEZNQCLSA-N 0 1 272.392 2.540 20 30 CFEDMN C=CCN1CCCN(C(=O)C2CCC(F)(F)CC2)CC1 ZINC000982032006 613688491 /nfs/dbraw/zinc/68/84/91/613688491.db2.gz XCZJGKKSWFBERZ-UHFFFAOYSA-N 0 1 286.366 2.532 20 30 CFEDMN C=CCN1CCCN(C(=O)[C@H]2CCc3ccccc3C2)CC1 ZINC000982033207 613694546 /nfs/dbraw/zinc/69/45/46/613694546.db2.gz HCZUAJPUSVXUHV-SFHVURJKSA-N 0 1 298.430 2.512 20 30 CFEDMN C=CCN1CCCN(C(=O)c2cc(F)ccc2CC)CC1 ZINC000981543717 613696110 /nfs/dbraw/zinc/69/61/10/613696110.db2.gz CXQQNMALFMBOQM-UHFFFAOYSA-N 0 1 290.382 2.722 20 30 CFEDMN C=CCN1CCCN(C(=O)c2cc(F)cc(Cl)c2)CC1 ZINC000982024475 613696212 /nfs/dbraw/zinc/69/62/12/613696212.db2.gz KPILZFPDUKXHIL-UHFFFAOYSA-N 0 1 296.773 2.813 20 30 CFEDMN C=CCN1CCCN(C(=O)c2ccc(Cl)c(F)c2)CC1 ZINC000982024284 613696924 /nfs/dbraw/zinc/69/69/24/613696924.db2.gz GIVYVLGPPDDFCY-UHFFFAOYSA-N 0 1 296.773 2.813 20 30 CFEDMN C=CCN1CC[C@@H](C)[C@@H](NC(=O)c2cc(C)sc2C)C1 ZINC000967273780 613728984 /nfs/dbraw/zinc/72/89/84/613728984.db2.gz NPLGLXQDEFEAQS-ABAIWWIYSA-N 0 1 292.448 2.991 20 30 CFEDMN C=CCN1CC[C@@H](C)[C@@H](NC(=O)c2ccc(F)c(C)c2)C1 ZINC000968060676 613730170 /nfs/dbraw/zinc/73/01/70/613730170.db2.gz PXAXDWYHFUHYAR-WBMJQRKESA-N 0 1 290.382 2.760 20 30 CFEDMN C=CCN1CC[C@@H](C)[C@@H](NC(=O)c2cccc3cc[nH]c32)C1 ZINC000968344952 613730488 /nfs/dbraw/zinc/73/04/88/613730488.db2.gz FPUMHBSLZZHWBO-CJNGLKHVSA-N 0 1 297.402 2.794 20 30 CFEDMN C=CCN1CC[C@@H](C)[C@H](NC(=O)C2(C)CCCC2)C1 ZINC000967528838 613732250 /nfs/dbraw/zinc/73/22/50/613732250.db2.gz UVAFDCOJRNOEGP-ZIAGYGMSSA-N 0 1 264.413 2.579 20 30 CFEDMN C=CCN1CC[C@@H](C)[C@H](NC(=O)C2C(C)(C)C2(C)C)C1 ZINC000965862340 613733151 /nfs/dbraw/zinc/73/31/51/613733151.db2.gz OUYHCKCRROLUDW-CHWSQXEVSA-N 0 1 278.440 2.681 20 30 CFEDMN C=CCN1CC[C@@H](C)[C@H](NC(=O)c2ccsc2C)C1 ZINC000966004191 613735475 /nfs/dbraw/zinc/73/54/75/613735475.db2.gz NZCOWRAGFUDCHE-BXUZGUMPSA-N 0 1 278.421 2.683 20 30 CFEDMN C=CCN1CC[C@H](C)[C@@H](NC(=O)CC2CCCC2)C1 ZINC000964772165 613767202 /nfs/dbraw/zinc/76/72/02/613767202.db2.gz MAGOAQBTHQTJJS-ZFWWWQNUSA-N 0 1 264.413 2.579 20 30 CFEDMN C=CCN1CC[C@H](C)[C@@H](NC(=O)CC2=CCCCC2)C1 ZINC000965601641 613767308 /nfs/dbraw/zinc/76/73/08/613767308.db2.gz XRZRSRRAGSMYAU-HOCLYGCPSA-N 0 1 276.424 2.890 20 30 CFEDMN C=CCN1CC[C@H](C)[C@@H](NC(=O)C2(C)CCCCC2)C1 ZINC000968211747 613767400 /nfs/dbraw/zinc/76/74/00/613767400.db2.gz LHRBJDNQWUQLRC-GJZGRUSLSA-N 0 1 278.440 2.969 20 30 CFEDMN C=CCN1CC[C@H](C)[C@@H](NC(=O)c2c(F)cccc2F)C1 ZINC000968584314 613767583 /nfs/dbraw/zinc/76/75/83/613767583.db2.gz WIYOAAFGKXOXLP-FZMZJTMJSA-N 0 1 294.345 2.591 20 30 CFEDMN C=CCN1CC[C@H](C)[C@@H](NC(=O)c2ccc3[nH]ccc3c2)C1 ZINC000968106900 613769809 /nfs/dbraw/zinc/76/98/09/613769809.db2.gz NCRFATXNACUYDH-GUYCJALGSA-N 0 1 297.402 2.794 20 30 CFEDMN C=CCN1CC[C@H](C)[C@H](NC(=O)C23CCC(CC2)C3)C1 ZINC000966947416 613771543 /nfs/dbraw/zinc/77/15/43/613771543.db2.gz YUWDVOOZVKVIOB-UJEKJILKSA-N 0 1 276.424 2.579 20 30 CFEDMN C=CCN1CC[C@H](C)[C@H](NC(=O)Cc2ccc(C)cc2)C1 ZINC000967278583 613771730 /nfs/dbraw/zinc/77/17/30/613771730.db2.gz FDGNIYMAMUPYKP-DOTOQJQBSA-N 0 1 286.419 2.550 20 30 CFEDMN C=CCN1CC[C@H](C)[C@H](NC(=O)C2CCCCC2)C1 ZINC000964681164 613771863 /nfs/dbraw/zinc/77/18/63/613771863.db2.gz BGEPPWPETNCQPI-DZGCQCFKSA-N 0 1 264.413 2.579 20 30 CFEDMN C=CCN1CC[C@H](C)[C@H](NC(=O)C2CC3(CCC3)C2)C1 ZINC000967707073 613772030 /nfs/dbraw/zinc/77/20/30/613772030.db2.gz CHMSRZMJWABBEV-DZGCQCFKSA-N 0 1 276.424 2.579 20 30 CFEDMN C=CCN1CC[C@H](C)[C@H](NC(=O)c2cc(F)ccc2F)C1 ZINC000966723680 613773225 /nfs/dbraw/zinc/77/32/25/613773225.db2.gz ONCMLEKXUJFPSL-XHDPSFHLSA-N 0 1 294.345 2.591 20 30 CFEDMN C=CCN1CC[C@H](C)[C@H](NC(=O)c2ccccc2Cl)C1 ZINC000968574223 613774092 /nfs/dbraw/zinc/77/40/92/613774092.db2.gz DQTWZTFOOHEFTD-SWLSCSKDSA-N 0 1 292.810 2.966 20 30 CFEDMN C=CCN1C[C@@H](NC(=O)C2CCC(=C)CC2)C(C)(C)C1 ZINC000974987923 613805869 /nfs/dbraw/zinc/80/58/69/613805869.db2.gz NSNDHXVTKTUPCW-OAHLLOKOSA-N 0 1 276.424 2.745 20 30 CFEDMN C=CCN1C[C@@H](NC(=O)C2CCC=CCC2)C(C)(C)C1 ZINC000977603316 613805930 /nfs/dbraw/zinc/80/59/30/613805930.db2.gz OPCKKKLLMHZEAK-OAHLLOKOSA-N 0 1 276.424 2.745 20 30 CFEDMN C=CCN1C[C@@H](NC(=O)C2CCCCC2)C(C)(C)C1 ZINC000972762364 613806332 /nfs/dbraw/zinc/80/63/32/613806332.db2.gz CADJSWSYGCVUQB-CQSZACIVSA-N 0 1 264.413 2.579 20 30 CFEDMN C=CCN1C[C@@H](NC(=O)c2c(C)coc2C)C(C)(C)C1 ZINC000974549497 613809071 /nfs/dbraw/zinc/80/90/71/613809071.db2.gz XENGAFFBAFZQGJ-CYBMUJFWSA-N 0 1 276.380 2.523 20 30 CFEDMN C=CCN1C[C@@H](NC(=O)c2cc(C)c(C)o2)C(C)(C)C1 ZINC000973038606 613809367 /nfs/dbraw/zinc/80/93/67/613809367.db2.gz PNEOSVBYZMVDIL-CQSZACIVSA-N 0 1 276.380 2.523 20 30 CFEDMN C=CCN1C[C@@H](NC(=O)c2cc(F)ccc2F)C(C)(C)C1 ZINC000974688170 613809958 /nfs/dbraw/zinc/80/99/58/613809958.db2.gz IADSJMRNEARMLY-CQSZACIVSA-N 0 1 294.345 2.591 20 30 CFEDMN C=CCN1C[C@@H](NC(=O)c2ccc(F)cc2C)C(C)(C)C1 ZINC000977491842 613810327 /nfs/dbraw/zinc/81/03/27/613810327.db2.gz DTTCAFCQPOIYGU-OAHLLOKOSA-N 0 1 290.382 2.760 20 30 CFEDMN C=CCN1C[C@@H](NC(=O)c2ccc(C=C)cc2)C(C)(C)C1 ZINC000975080220 613810360 /nfs/dbraw/zinc/81/03/60/613810360.db2.gz PNLMOFUYJZFSGO-MRXNPFEDSA-N 0 1 284.403 2.956 20 30 CFEDMN C=CCN1C[C@H](NC(=O)[C@@]2(C)CC=CCC2)C(C)(C)C1 ZINC000974610812 613828004 /nfs/dbraw/zinc/82/80/04/613828004.db2.gz DRQOHVXULZBMKG-YOEHRIQHSA-N 0 1 276.424 2.745 20 30 CFEDMN C=CCN1C[C@H](NC(=O)c2c[nH]cc2C2CC2)C(C)(C)C1 ZINC000977419050 613828418 /nfs/dbraw/zinc/82/84/18/613828418.db2.gz DGAGRUPQTMPWNP-HNNXBMFYSA-N 0 1 287.407 2.518 20 30 CFEDMN C=CCN1C[C@H](NC(=O)c2ccc(CC)cc2)C(C)(C)C1 ZINC000977567564 613828610 /nfs/dbraw/zinc/82/86/10/613828610.db2.gz DFWRBJPVWLLKCD-INIZCTEOSA-N 0 1 286.419 2.875 20 30 CFEDMN C=CCN1C[C@H](NC(=O)c2cccnc2C2CC2)C(C)(C)C1 ZINC000974775777 613829409 /nfs/dbraw/zinc/82/94/09/613829409.db2.gz OZAXQWUBETZBAV-HNNXBMFYSA-N 0 1 299.418 2.585 20 30 CFEDMN Oc1c(F)cc(Cl)cc1C=NNC[C@H]1CCSC1 ZINC000811661937 617693254 /nfs/dbraw/zinc/69/32/54/617693254.db2.gz XEDJPTQMVVPHLN-MRVPVSSYSA-N 0 1 288.775 2.861 20 30 CFEDMN CNC(=O)c1ccc(/C=C\C(=O)c2ccc(C)cc2O)cc1 ZINC000255380344 617701437 /nfs/dbraw/zinc/70/14/37/617701437.db2.gz VZEHODXGNBTAKZ-POHAHGRESA-N 0 1 295.338 2.956 20 30 CFEDMN COC(=O)C[C@H](NCc1ccccc1C#N)C(C)(C)C ZINC000934027204 617865995 /nfs/dbraw/zinc/86/59/95/617865995.db2.gz SGRKJOCZIGJTTO-AWEZNQCLSA-N 0 1 274.364 2.626 20 30 CFEDMN C#CCN(Cc1ccccc1)C(=O)c1[nH]nc2ccccc21 ZINC000804834403 617905853 /nfs/dbraw/zinc/90/58/53/617905853.db2.gz BPAIDOFOCBSPMK-UHFFFAOYSA-N 0 1 289.338 2.839 20 30 CFEDMN COc1ccccc1CNCc1ccc(OCC#N)cc1 ZINC000034991566 617606987 /nfs/dbraw/zinc/60/69/87/617606987.db2.gz YUBTXJKYOPBUDF-UHFFFAOYSA-N 0 1 282.343 2.887 20 30 CFEDMN CC(C)NC(=O)C(C#N)C(=O)CC[C@@H](C)c1ccccc1 ZINC000160186838 617607625 /nfs/dbraw/zinc/60/76/25/617607625.db2.gz HYKWKBIVGDQLNE-UKRRQHHQSA-N 0 1 286.375 2.804 20 30 CFEDMN CC(C)NC(=O)C(C#N)C(=O)CC[C@@H](C)c1ccccc1 ZINC000160186698 617607703 /nfs/dbraw/zinc/60/77/03/617607703.db2.gz HYKWKBIVGDQLNE-HIFRSBDPSA-N 0 1 286.375 2.804 20 30 CFEDMN C=C1CCN(C(=O)NC[C@H](c2cccs2)N(C)C)CC1 ZINC000891508778 617641979 /nfs/dbraw/zinc/64/19/79/617641979.db2.gz MZAWKZCASVZITL-CYBMUJFWSA-N 0 1 293.436 2.712 20 30 CFEDMN C=CC[C@@H]1CCN1C(=O)c1cc(-c2ccc(OC)cc2)[nH]n1 ZINC000890555383 617648337 /nfs/dbraw/zinc/64/83/37/617648337.db2.gz JCXWJGBZCZCIBH-CYBMUJFWSA-N 0 1 297.358 2.876 20 30 CFEDMN C[C@H](CCC#N)N1CC[C@H](c2nccc(C(F)(F)F)n2)C1 ZINC000933714242 617758563 /nfs/dbraw/zinc/75/85/63/617758563.db2.gz UPYXFWSQYUIPMV-MNOVXSKESA-N 0 1 298.312 2.977 20 30 CFEDMN N#Cc1csc(CN[C@H]2CCOC23CCCCC3)n1 ZINC000933877485 617803988 /nfs/dbraw/zinc/80/39/88/617803988.db2.gz SBSQGETWZVZZBP-LBPRGKRZSA-N 0 1 277.393 2.596 20 30 CFEDMN C=CCCn1cc(CN2CCCSC[C@H]2C2CC2)nn1 ZINC000933911865 617814987 /nfs/dbraw/zinc/81/49/87/617814987.db2.gz GGFXNXPQHFMGTK-HNNXBMFYSA-N 0 1 292.452 2.572 20 30 CFEDMN C=CCCCN(CC)C(=O)c1cc([C@H]2CCCN2C)n[nH]1 ZINC000890809509 617908013 /nfs/dbraw/zinc/90/80/13/617908013.db2.gz WNUYDPZUKYWWLN-OAHLLOKOSA-N 0 1 290.411 2.605 20 30 CFEDMN CCC(CC)NN=Cc1[nH]c(C)nc1Br ZINC000901197215 620763289 /nfs/dbraw/zinc/76/32/89/620763289.db2.gz VQJNEWWKARWWRL-UHFFFAOYSA-N 0 1 273.178 2.593 20 30 CFEDMN COc1cn(C)nc1C(C)N=Nc1cc(C)ccc1F ZINC000901198215 620763689 /nfs/dbraw/zinc/76/36/89/620763689.db2.gz IFCBGXFZTSFAAF-UHFFFAOYSA-N 0 1 276.315 2.712 20 30 CFEDMN C[C@@H]1CN(C(C)(C)C/N=C\c2ccccc2O)C[C@H](C)O1 ZINC000255066732 617940433 /nfs/dbraw/zinc/94/04/33/617940433.db2.gz ZOPVPYKMCRYXOE-GBBOCIJVSA-N 0 1 290.407 2.699 20 30 CFEDMN CCC1(CO)CCN(Cc2csc(C#N)c2)CC1 ZINC000892096316 617946444 /nfs/dbraw/zinc/94/64/44/617946444.db2.gz KVOFDUNSGPGGDO-UHFFFAOYSA-N 0 1 264.394 2.604 20 30 CFEDMN C=C1CCC(C(=O)NC2C[C@H]3CC[C@@H](C2)N3CCF)CC1 ZINC001021368474 617989689 /nfs/dbraw/zinc/98/96/89/617989689.db2.gz NIWXMMYJFVLRII-MQVJKMGUSA-N 0 1 294.414 2.814 20 30 CFEDMN Cc1nc(Br)c(C=NN[C@@H]2CCCC2(C)C)[nH]1 ZINC000901231965 620768163 /nfs/dbraw/zinc/76/81/63/620768163.db2.gz RYSJELXSZQOXTN-SNVBAGLBSA-N 0 1 299.216 2.983 20 30 CFEDMN Cc1csc(C(C#N)C(=O)C=Cc2ccco2)n1 ZINC000255496849 618007640 /nfs/dbraw/zinc/00/76/40/618007640.db2.gz DUGFCZUJGMTXRT-WYGGZMRJSA-N 0 1 258.302 2.934 20 30 CFEDMN Oc1ccc2c(c1F)CCC2N=Nc1ccc(F)cn1 ZINC000807971910 618007979 /nfs/dbraw/zinc/00/79/79/618007979.db2.gz DXIIVOJIHQFNDZ-UHFFFAOYSA-N 0 1 275.258 2.828 20 30 CFEDMN Fc1cccc(N=NCc2c(Cl)n[nH]c2C2CC2)n1 ZINC000901237105 620769379 /nfs/dbraw/zinc/76/93/79/620769379.db2.gz MNELDPHYQFPRGK-UHFFFAOYSA-N 0 1 279.706 2.921 20 30 CFEDMN CC#CC[N@H+]1CC[C@H]2[C@@H](CCCN2C(=O)c2ccccc2)C1 ZINC001021506871 618034228 /nfs/dbraw/zinc/03/42/28/618034228.db2.gz UHEXEFCYVMUEHA-ROUUACIJSA-N 0 1 296.414 2.636 20 30 CFEDMN CCc1onc(C)c1CN=Nc1ncc(F)cc1F ZINC000901248541 620771274 /nfs/dbraw/zinc/77/12/74/620771274.db2.gz ACGAZIAEZUKTBT-UHFFFAOYSA-N 0 1 266.251 2.665 20 30 CFEDMN C=CC[C@@H]1CCN1[C@@H]1CCN(C2CCCCC2)C1=O ZINC000934459413 618039804 /nfs/dbraw/zinc/03/98/04/618039804.db2.gz JYLWKAVHIINLCQ-UKRRQHHQSA-N 0 1 262.397 2.570 20 30 CFEDMN C=C[C@H](C)ONC(=O)[C@H](CC)c1ccc(F)cc1 ZINC000846547295 618112168 /nfs/dbraw/zinc/11/21/68/618112168.db2.gz DERLWEVOIDWTOC-GXFFZTMASA-N 0 1 251.301 2.942 20 30 CFEDMN C#Cc1ccc(NC(=O)c2[nH]cnc2C(C)(C)C)cc1 ZINC000891313165 618120284 /nfs/dbraw/zinc/12/02/84/618120284.db2.gz IRYQIXBCIJQWTD-UHFFFAOYSA-N 0 1 267.332 2.941 20 30 CFEDMN C#Cc1ccc(NC(=O)[C@H]2C[C@@H](C)Cc3cn[nH]c32)cc1 ZINC000891312905 618120311 /nfs/dbraw/zinc/12/03/11/618120311.db2.gz CTZXWPHUTPKAQI-NHYWBVRUSA-N 0 1 279.343 2.696 20 30 CFEDMN CCCCCNC(=O)C(C#N)C(=O)CCCCC ZINC000069911276 618137866 /nfs/dbraw/zinc/13/78/66/618137866.db2.gz IUUBVEGIKDFIJM-GFCCVEGCSA-N 0 1 252.358 2.582 20 30 CFEDMN CC(CC(F)(F)F)N=NC1C[C@H](C)O[C@@H](C)C1 ZINC000901303045 620780119 /nfs/dbraw/zinc/78/01/19/620780119.db2.gz MIPNRUKGMGYHDC-IUCAKERBSA-N 0 1 252.280 2.860 20 30 CFEDMN N#Cc1csc(CN2CCCC[C@@H]([C@H]3CCOC3)C2)n1 ZINC000934834690 618144933 /nfs/dbraw/zinc/14/49/33/618144933.db2.gz RJNLVTMJKUIHOL-OLZOCXBDSA-N 0 1 291.420 2.653 20 30 CFEDMN C[C@H]1CC(NN=Cc2ccc(N(C)C)c(F)c2)C[C@H](C)O1 ZINC000901309781 620782102 /nfs/dbraw/zinc/78/21/02/620782102.db2.gz DFXHOWUYSHDTRB-RYUDHWBXSA-N 0 1 293.386 2.771 20 30 CFEDMN C=CC(C)(C)CC(=O)N1[C@H](C)CN(C)[C@H](C)[C@@H]1C ZINC000892353849 618178463 /nfs/dbraw/zinc/17/84/63/618178463.db2.gz OICBIFMEOOZYQZ-UPJWGTAASA-N 0 1 252.402 2.528 20 30 CFEDMN O=C(/C=C\c1cc(O)ccc1[N+](=O)[O-])c1cncc(F)c1 ZINC000255313252 618190949 /nfs/dbraw/zinc/19/09/49/618190949.db2.gz VHYCCTNKBFKYNW-RJRFIUFISA-N 0 1 288.234 2.731 20 30 CFEDMN CC(=O)c1c(C)[nH]c(C(=O)Nc2cc(C#N)ccc2O)c1C ZINC000176815627 618204928 /nfs/dbraw/zinc/20/49/28/618204928.db2.gz KVQUWOHGKOQKCS-UHFFFAOYSA-N 0 1 297.314 2.664 20 30 CFEDMN CCOc1cccc(C(=O)Nc2cc(C#N)ccc2O)c1 ZINC000176815985 618205291 /nfs/dbraw/zinc/20/52/91/618205291.db2.gz KHETVJKTUWYSSV-UHFFFAOYSA-N 0 1 282.299 2.915 20 30 CFEDMN COc1ccc(C(=O)Nc2cc(C#N)ccc2O)cc1OC ZINC000176819877 618205701 /nfs/dbraw/zinc/20/57/01/618205701.db2.gz RASWJBFTRLPJPV-UHFFFAOYSA-N 0 1 298.298 2.533 20 30 CFEDMN Cc1ccc(C(=O)Nc2cc(C#N)ccc2O)cc1 ZINC000176822186 618206138 /nfs/dbraw/zinc/20/61/38/618206138.db2.gz AZSPTIDCPFATIQ-UHFFFAOYSA-N 0 1 252.273 2.825 20 30 CFEDMN N#Cc1cccc(OCCN2CC[C@H](C(F)(F)F)C2)c1 ZINC000312326429 618247847 /nfs/dbraw/zinc/24/78/47/618247847.db2.gz IGOXDLSGSXNXHR-LBPRGKRZSA-N 0 1 284.281 2.821 20 30 CFEDMN C#C[C@H](NCc1ccc(Cl)c(C)c1)[C@H]1CCCO1 ZINC000775352278 618256016 /nfs/dbraw/zinc/25/60/16/618256016.db2.gz WGQMHFSNEXQYQU-LSDHHAIUSA-N 0 1 263.768 2.919 20 30 CFEDMN C=CCN1CCC[C@H](NC(=O)c2cc[nH]c2C(C)C)C1 ZINC001008265285 618270083 /nfs/dbraw/zinc/27/00/83/618270083.db2.gz UJUFVZDFWBJYEO-ZDUSSCGKSA-N 0 1 275.396 2.518 20 30 CFEDMN C[C@@H]1C(N=Nc2c(F)cc(F)cc2F)CCN1C ZINC000901320731 620791244 /nfs/dbraw/zinc/79/12/44/620791244.db2.gz HMTWVMHHPSDAFF-SSDOTTSWSA-N 0 1 257.259 2.596 20 30 CFEDMN C=CCN1CCCC[C@H]1CNC(=O)c1ccc(F)cc1 ZINC001024302969 618288329 /nfs/dbraw/zinc/28/83/29/618288329.db2.gz FIOSGRRIDKEBFT-HNNXBMFYSA-N 0 1 276.355 2.596 20 30 CFEDMN C=CCN1CCCC[C@@H]1CNC(=O)c1sccc1C ZINC001024295295 618290329 /nfs/dbraw/zinc/29/03/29/618290329.db2.gz AYPDYCNKCCOFHR-CYBMUJFWSA-N 0 1 278.421 2.827 20 30 CFEDMN C=C(C)C[N@H+]1CCCC[C@@H]1CNC(=O)c1ccoc1C ZINC001024314728 618292173 /nfs/dbraw/zinc/29/21/73/618292173.db2.gz LMQWNCKXDWJVSJ-CQSZACIVSA-N 0 1 276.380 2.748 20 30 CFEDMN C=C(C)CN1CCCC[C@@H]1CNC(=O)c1ccoc1C ZINC001024314728 618292175 /nfs/dbraw/zinc/29/21/75/618292175.db2.gz LMQWNCKXDWJVSJ-CQSZACIVSA-N 0 1 276.380 2.748 20 30 CFEDMN C=CCN1CCCC[C@H]1CNC(=O)c1ccsc1 ZINC001024319281 618292942 /nfs/dbraw/zinc/29/29/42/618292942.db2.gz ZEVQOHSYEDQWBJ-ZDUSSCGKSA-N 0 1 264.394 2.518 20 30 CFEDMN C#CCC[N@@H+]1CCCC[C@H]1CNC(=O)c1cc(C)oc1C ZINC001024326300 618296084 /nfs/dbraw/zinc/29/60/84/618296084.db2.gz JDUHGOLPNLSINJ-HNNXBMFYSA-N 0 1 288.391 2.504 20 30 CFEDMN C#CCN1CCCC[C@H]1CNC(=O)C1CCCCCC1 ZINC001024358148 618301147 /nfs/dbraw/zinc/30/11/47/618301147.db2.gz AXNCSJSMMCWFOG-INIZCTEOSA-N 0 1 276.424 2.561 20 30 CFEDMN C=CC[N@@H+]1CCCC[C@H]1CNC(=O)c1oc(C)cc1C ZINC001024372197 618302271 /nfs/dbraw/zinc/30/22/71/618302271.db2.gz ZATOPDKABBKOTN-AWEZNQCLSA-N 0 1 276.380 2.667 20 30 CFEDMN C=CCN1CCCC[C@H]1CNC(=O)c1oc(C)cc1C ZINC001024372197 618302280 /nfs/dbraw/zinc/30/22/80/618302280.db2.gz ZATOPDKABBKOTN-AWEZNQCLSA-N 0 1 276.380 2.667 20 30 CFEDMN N#CC(C(=O)[C@H]1CCC(F)(F)C1)c1ccccn1 ZINC000310392050 618303887 /nfs/dbraw/zinc/30/38/87/618303887.db2.gz DWJUGSLZAWPWMY-UWVGGRQHSA-N 0 1 250.248 2.693 20 30 CFEDMN C=CCN1CCCC[C@H]1CNC(=O)c1cc(C)c(C)o1 ZINC001024386492 618304111 /nfs/dbraw/zinc/30/41/11/618304111.db2.gz FXGDRBPZPQMDPX-AWEZNQCLSA-N 0 1 276.380 2.667 20 30 CFEDMN C=CCN1CCCC[C@H]1CNC(=O)c1ccsc1C ZINC001024434335 618315855 /nfs/dbraw/zinc/31/58/55/618315855.db2.gz YGIDVNVJMOHMSP-ZDUSSCGKSA-N 0 1 278.421 2.827 20 30 CFEDMN C#CCN(CC)Cc1ccc(C(=O)OC(C)C)cc1 ZINC000749523651 618317048 /nfs/dbraw/zinc/31/70/48/618317048.db2.gz XTBFUNJGMBGGTA-UHFFFAOYSA-N 0 1 259.349 2.707 20 30 CFEDMN C=CCN1CCCC[C@H]1CNC(=O)[C@@H]1C[C@@H]2C=C[C@H]1CC2 ZINC001024451735 618319486 /nfs/dbraw/zinc/31/94/86/618319486.db2.gz FOLZNOOKRQSVGA-LTIDMASMSA-N 0 1 288.435 2.745 20 30 CFEDMN N#CC(C(=O)C[C@H]1CCC2(CCC2)CO1)c1ccccn1 ZINC000892483129 618359843 /nfs/dbraw/zinc/35/98/43/618359843.db2.gz KSEWYLHPTVZDQV-ZIAGYGMSSA-N 0 1 284.359 2.997 20 30 CFEDMN CO[C@]1(C)CCCN(Cc2csc(C#N)c2)C1 ZINC000894136424 618381556 /nfs/dbraw/zinc/38/15/56/618381556.db2.gz KUXLBGXHOWZQMJ-CYBMUJFWSA-N 0 1 250.367 2.621 20 30 CFEDMN C[C@@H](CC1(C#N)CCOCC1)NCc1cnc(Cl)s1 ZINC000895151134 618395563 /nfs/dbraw/zinc/39/55/63/618395563.db2.gz HRPFLLCRTJAMKG-JTQLQIEISA-N 0 1 299.827 2.985 20 30 CFEDMN CCN(Cc1csc(C#N)c1)[C@@H]1CCCOC1 ZINC000895154589 618400605 /nfs/dbraw/zinc/40/06/05/618400605.db2.gz ZCYSEORWQHWGKJ-GFCCVEGCSA-N 0 1 250.367 2.621 20 30 CFEDMN C#C[C@H](C)[N@@H+](C)Cc1cc(=O)oc2cc([O-])c(Cl)cc12 ZINC000794578922 618436938 /nfs/dbraw/zinc/43/69/38/618436938.db2.gz MRIGWMJYJBWITG-VIFPVBQESA-N 0 1 291.734 2.606 20 30 CFEDMN C=CCN1CCCC[C@H]1CNC(=O)c1cc(C(C)C)no1 ZINC001024691046 618445661 /nfs/dbraw/zinc/44/56/61/618445661.db2.gz PDGYAPJSKIKYIY-ZDUSSCGKSA-N 0 1 291.395 2.568 20 30 CFEDMN CC#CCN1CCCC[C@H]1CNC(=O)[C@@H]1CC12CCCC2 ZINC001024745197 618459382 /nfs/dbraw/zinc/45/93/82/618459382.db2.gz QDIPPLPHKAVFMB-HOTGVXAUSA-N 0 1 288.435 2.561 20 30 CFEDMN Cc1csc(C(C#N)C(=O)C=Cc2cccnc2)n1 ZINC000255878013 618461921 /nfs/dbraw/zinc/46/19/21/618461921.db2.gz BXLRZPHTIZORQM-RXNFCKPNSA-N 0 1 269.329 2.736 20 30 CFEDMN C=CCN1CCCC[C@@H]1CNC(=O)c1ncccc1Cl ZINC001024767989 618466312 /nfs/dbraw/zinc/46/63/12/618466312.db2.gz MMBYLESKPJPFMJ-GFCCVEGCSA-N 0 1 293.798 2.505 20 30 CFEDMN C#CCN1CCCC[C@H]1CNC(=O)c1ccc(Cl)cc1 ZINC001024772634 618467082 /nfs/dbraw/zinc/46/70/82/618467082.db2.gz XOGQIRKASOSYER-HNNXBMFYSA-N 0 1 290.794 2.558 20 30 CFEDMN C#CCN1CCCC[C@@H]1CNC(=O)c1cc(C)ccc1C ZINC001024780539 618468682 /nfs/dbraw/zinc/46/86/82/618468682.db2.gz XQYIZSPOUYCZCN-MRXNPFEDSA-N 0 1 284.403 2.521 20 30 CFEDMN Brc1ccc(N=NCc2ccncc2)nc1 ZINC000727265929 618473794 /nfs/dbraw/zinc/47/37/94/618473794.db2.gz CMLWADYGJBTKEQ-UHFFFAOYSA-N 0 1 277.125 2.685 20 30 CFEDMN C=CCN1CCCC[C@H]1CNC(=O)c1cccn1C(C)C ZINC001024804503 618475087 /nfs/dbraw/zinc/47/50/87/618475087.db2.gz TYMYKNNINWXAAQ-HNNXBMFYSA-N 0 1 289.423 2.839 20 30 CFEDMN CC(=NNc1ccc(C)cn1)c1ccc2[nH]c(=O)[nH]c2c1 ZINC000727260205 618475526 /nfs/dbraw/zinc/47/55/26/618475526.db2.gz SFQRFBMRAFWHME-UHFFFAOYSA-N 0 1 281.319 2.808 20 30 CFEDMN Cc1ccc([N-]N=C2c3ccc(C)c(C)c3NC2=O)[nH+]c1 ZINC000727260116 618475711 /nfs/dbraw/zinc/47/57/11/618475711.db2.gz QHLJTSSXMATNLE-UHFFFAOYSA-N 0 1 280.331 2.775 20 30 CFEDMN C#CC[C@@H]1CC[N@H+](Cc2cc(F)cc(F)c2[O-])C1 ZINC000895389692 618563394 /nfs/dbraw/zinc/56/33/94/618563394.db2.gz GHBKCSLFMOMGPW-SNVBAGLBSA-N 0 1 251.276 2.516 20 30 CFEDMN C#CCCSc1nc(-c2cc(F)cc(F)c2)n[nH]1 ZINC000178168404 618629615 /nfs/dbraw/zinc/62/96/15/618629615.db2.gz YATOZCZLGVCSMH-UHFFFAOYSA-N 0 1 265.288 2.865 20 30 CFEDMN CC[C@H](C#N)Oc1cccc(CNCc2cn(C)nc2C)c1 ZINC000162512438 618663502 /nfs/dbraw/zinc/66/35/02/618663502.db2.gz LJHPSWQHUMQHLO-MRXNPFEDSA-N 0 1 298.390 2.699 20 30 CFEDMN C#CCCN1C[C@H]2CC[C@@H](C1)N2C(=O)C[C@@H]1CCC[C@H]1C ZINC001017577203 618665883 /nfs/dbraw/zinc/66/58/83/618665883.db2.gz HCACFCJAQAJQAO-TWMKSMIVSA-N 0 1 288.435 2.511 20 30 CFEDMN C#CCCN1C[C@H]2CC[C@@H](C1)N2C(=O)C[C@H]1CC[C@@H](C)C1 ZINC001017820336 618672655 /nfs/dbraw/zinc/67/26/55/618672655.db2.gz AOIKKVFNIMUIPR-TWMKSMIVSA-N 0 1 288.435 2.511 20 30 CFEDMN C=C(C)CN1CCC[C@@H](NC(=O)[C@H]2CCC(F)(F)C2)C1 ZINC001007469782 618687135 /nfs/dbraw/zinc/68/71/35/618687135.db2.gz PWLAOHQCLOZQPW-QWHCGFSZSA-N 0 1 286.366 2.579 20 30 CFEDMN CC[C@](C)(C#N)NC(=O)c1ccc(CN2CCCCC2)o1 ZINC000931299278 618936360 /nfs/dbraw/zinc/93/63/60/618936360.db2.gz CBAMAGJTHAKTEI-MRXNPFEDSA-N 0 1 289.379 2.688 20 30 CFEDMN CN(CCCCC#N)CC(=O)Nc1ccccc1Cl ZINC000198681019 618972852 /nfs/dbraw/zinc/97/28/52/618972852.db2.gz REGKRDBSSRMCKN-UHFFFAOYSA-N 0 1 279.771 2.904 20 30 CFEDMN C=C[C@@H](Cc1ccccc1)OC(=O)CCCCc1cn[nH]n1 ZINC000893449600 618997462 /nfs/dbraw/zinc/99/74/62/618997462.db2.gz GAASJEWIAGFCLJ-INIZCTEOSA-N 0 1 299.374 2.858 20 30 CFEDMN CC(C)(C(=O)Nc1cccc(CC#N)c1)N1CCCCC1 ZINC000909367981 619009519 /nfs/dbraw/zinc/00/95/19/619009519.db2.gz OSOYDWOMXUVJJA-UHFFFAOYSA-N 0 1 285.391 2.956 20 30 CFEDMN N#CCCCNCc1ccc(Cl)cc1[N+](=O)[O-] ZINC000893516103 619031348 /nfs/dbraw/zinc/03/13/48/619031348.db2.gz ZGDNDVPPRYDWJK-UHFFFAOYSA-N 0 1 253.689 2.642 20 30 CFEDMN C[C@H](C#N)CN[C@@H]1C[C@H](Oc2ccccc2)C1(C)C ZINC000893544095 619057229 /nfs/dbraw/zinc/05/72/29/619057229.db2.gz JIAVYSKKQVGSHA-YUELXQCFSA-N 0 1 258.365 2.982 20 30 CFEDMN CC#CCN1CCC[C@@H](c2nc3c(s2)CCC3)C1 ZINC000932190682 619205297 /nfs/dbraw/zinc/20/52/97/619205297.db2.gz DYSFUEZPEBRIHW-GFCCVEGCSA-N 0 1 260.406 2.835 20 30 CFEDMN C=CCCCN(CC)C(=O)N[C@H](C)Cc1cc(C)[nH]n1 ZINC000893745585 619214869 /nfs/dbraw/zinc/21/48/69/619214869.db2.gz HZHPQTZBJPBBQY-GFCCVEGCSA-N 0 1 278.400 2.647 20 30 CFEDMN COCCON=C1CCCN(Cc2ccccc2)[C@H]1C ZINC000814865532 619284471 /nfs/dbraw/zinc/28/44/71/619284471.db2.gz XXZKPDBRGFTVFL-AWEZNQCLSA-N 0 1 276.380 2.690 20 30 CFEDMN C[C@]1(C#N)CCCN(Cc2cc(F)cc(F)c2O)C1 ZINC000894446612 619388031 /nfs/dbraw/zinc/38/80/31/619388031.db2.gz WPEPTVMJBFMIQR-CQSZACIVSA-N 0 1 266.291 2.796 20 30 CFEDMN N#Cc1cc(CN2CCSC[C@H]2C2CC2)cs1 ZINC000894731793 619452277 /nfs/dbraw/zinc/45/22/77/619452277.db2.gz WHAPXVBNBNQKDS-ZDUSSCGKSA-N 0 1 264.419 2.947 20 30 CFEDMN CC1(C)C[C@H](O)CC[N@@H+](Cc2csc(C#N)c2)C1 ZINC000894755412 619458092 /nfs/dbraw/zinc/45/80/92/619458092.db2.gz POKVXUVMUAZQIP-GFCCVEGCSA-N 0 1 264.394 2.603 20 30 CFEDMN CC1(C)C[C@H](O)CCN(Cc2csc(C#N)c2)C1 ZINC000894755412 619458095 /nfs/dbraw/zinc/45/80/95/619458095.db2.gz POKVXUVMUAZQIP-GFCCVEGCSA-N 0 1 264.394 2.603 20 30 CFEDMN CCc1cccc(NC(=O)CN[C@H]2CCC[C@H](C#N)C2)c1 ZINC000895039615 619531192 /nfs/dbraw/zinc/53/11/92/619531192.db2.gz NJOHCDKMIPSPOG-GJZGRUSLSA-N 0 1 285.391 2.859 20 30 CFEDMN C=C(Br)CN(CCO)C1CCCCC1 ZINC000050106552 619534220 /nfs/dbraw/zinc/53/42/20/619534220.db2.gz GZJXKGPHQXYGQO-UHFFFAOYSA-N 0 1 262.191 2.522 20 30 CFEDMN C#CCCN(CCOC)Cc1ccc(CC(C)C)nc1 ZINC000895471635 619539688 /nfs/dbraw/zinc/53/96/88/619539688.db2.gz VNAUSUPPKVSIGL-UHFFFAOYSA-N 0 1 274.408 2.752 20 30 CFEDMN CC1(C)CC[C@@H](CNCc2cccc(F)c2C#N)OC1 ZINC000895529615 619547650 /nfs/dbraw/zinc/54/76/50/619547650.db2.gz SAKDSMUXKNUQCJ-ZDUSSCGKSA-N 0 1 276.355 2.992 20 30 CFEDMN CN1CC[C@H]1CNc1c(C#N)cnc2c(Cl)cccc21 ZINC000895768582 619602723 /nfs/dbraw/zinc/60/27/23/619602723.db2.gz FUDAEDPZGXOPOU-NSHDSACASA-N 0 1 286.766 2.876 20 30 CFEDMN C#CCN1CCC(Nc2ccnc(-c3ccccc3)n2)CC1 ZINC000895807976 619612312 /nfs/dbraw/zinc/61/23/12/619612312.db2.gz XWDKPIQGNKJNIC-UHFFFAOYSA-N 0 1 292.386 2.653 20 30 CFEDMN C#CCN1CCC(Nc2nc3ccccc3cc2C#N)CC1 ZINC000895807872 619612363 /nfs/dbraw/zinc/61/23/63/619612363.db2.gz VCEYELBAKCZWOW-UHFFFAOYSA-N 0 1 290.370 2.616 20 30 CFEDMN C#CCN(Cc1ccc2[nH]ccc2c1)C1CSC1 ZINC000895814031 619613168 /nfs/dbraw/zinc/61/31/68/619613168.db2.gz JVAPCZUPZFMOIT-UHFFFAOYSA-N 0 1 256.374 2.719 20 30 CFEDMN C#CCN(Cc1ccnc2ccccc12)C1CSC1 ZINC000895813750 619613224 /nfs/dbraw/zinc/61/32/24/619613224.db2.gz GFYXTNXJCMUWOW-UHFFFAOYSA-N 0 1 268.385 2.785 20 30 CFEDMN C=CCC1(O)CCN(Cc2cn(C(C)C)nc2C)CC1 ZINC000895834466 619619786 /nfs/dbraw/zinc/61/97/86/619619786.db2.gz LSPKHZGJLQYBME-UHFFFAOYSA-N 0 1 277.412 2.675 20 30 CFEDMN C=CCC1(O)CCN(Cc2cnc3cccc(C)n23)CC1 ZINC000895835631 619620403 /nfs/dbraw/zinc/62/04/03/619620403.db2.gz JPEONDVSUUFBHI-UHFFFAOYSA-N 0 1 285.391 2.546 20 30 CFEDMN CO[C@H]1CC[C@@H](C)N(Cc2csc(C#N)c2)C1 ZINC000896076469 619666865 /nfs/dbraw/zinc/66/68/65/619666865.db2.gz QQJQVULWJNJWOD-PWSUYJOCSA-N 0 1 250.367 2.619 20 30 CFEDMN C=C(C)CCc1noc([C@H]2CCc3cnc(C)n3C2)n1 ZINC000896281969 619709345 /nfs/dbraw/zinc/70/93/45/619709345.db2.gz RFMMDJHOXXCURK-LBPRGKRZSA-N 0 1 272.352 2.813 20 30 CFEDMN C[C@H](CCC#N)CN[C@H]1c2ccccc2OC[C@H]1F ZINC000896424319 619735129 /nfs/dbraw/zinc/73/51/29/619735129.db2.gz ZZQLBLQIFBNDFE-KYOSRNDESA-N 0 1 262.328 2.988 20 30 CFEDMN C=CCOc1ccccc1CN1CCO[C@@H](C)CC1 ZINC000896583631 619766659 /nfs/dbraw/zinc/76/66/59/619766659.db2.gz DRHJYKLNHBSBNI-AWEZNQCLSA-N 0 1 261.365 2.862 20 30 CFEDMN N#Cc1ccc(N[C@H]2CCCN(Cc3ccco3)C2)nc1 ZINC000896660494 619782562 /nfs/dbraw/zinc/78/25/62/619782562.db2.gz PIZXZGJUGAAJKV-AWEZNQCLSA-N 0 1 282.347 2.623 20 30 CFEDMN C=C[C@@H](CC)CC(=O)Nc1ncc(C(F)(F)F)[nH]1 ZINC000896686352 619788225 /nfs/dbraw/zinc/78/82/25/619788225.db2.gz VFALVEUVBMAQAN-ZETCQYMHSA-N 0 1 261.247 2.969 20 30 CFEDMN C=C(Cl)CN[C@@H]1CN(C(=O)C2CC=CC2)CC1(C)C ZINC000995611370 625744188 /nfs/dbraw/zinc/74/41/88/625744188.db2.gz TZUGPRAGSFFDAC-CYBMUJFWSA-N 0 1 282.815 2.532 20 30 CFEDMN C=C1CC(c2noc(Cc3[nH]nc4c3CCCC4)n2)C1 ZINC000896885131 619858825 /nfs/dbraw/zinc/85/88/25/619858825.db2.gz XLKVZEWWXKODBC-UHFFFAOYSA-N 0 1 270.336 2.696 20 30 CFEDMN CCC(CC)CN(CCC#N)C(=O)c1c[nH]cc2ncnc1-2 ZINC000896893721 619865422 /nfs/dbraw/zinc/86/54/22/619865422.db2.gz RUAOXEZOPVXEIK-UHFFFAOYSA-N 0 1 299.378 2.750 20 30 CFEDMN CC(C)[C@@H](NCC#Cc1ccccc1)c1cnn(C)c1 ZINC000897079993 619928863 /nfs/dbraw/zinc/92/88/63/619928863.db2.gz NLPUTSZMWTUBJB-QGZVFWFLSA-N 0 1 267.376 2.759 20 30 CFEDMN C#CCN1CCC(NC(=O)C[C@H](CC)c2ccccc2)CC1 ZINC000928658630 619947713 /nfs/dbraw/zinc/94/77/13/619947713.db2.gz WHDOCUUEZMITEF-INIZCTEOSA-N 0 1 298.430 2.784 20 30 CFEDMN C=C(Cl)CN(C)C1CCN(C(=O)/C(C)=C\C)CC1 ZINC000985361732 619964655 /nfs/dbraw/zinc/96/46/55/619964655.db2.gz CTDJIDSIMPCOAN-WZUFQYTHSA-N 0 1 270.804 2.628 20 30 CFEDMN C[C@@H](N[C@@H](C)c1ccnnc1)c1cccc(C#N)c1 ZINC000925186644 620012069 /nfs/dbraw/zinc/01/20/69/620012069.db2.gz YULZTPPETRTTTI-NEPJUHHUSA-N 0 1 252.321 2.760 20 30 CFEDMN C[C@@H](N[C@@H](C)c1cccc(C#N)c1)c1ccnnc1 ZINC000925186650 620012089 /nfs/dbraw/zinc/01/20/89/620012089.db2.gz YULZTPPETRTTTI-NWDGAFQWSA-N 0 1 252.321 2.760 20 30 CFEDMN C=C(Cl)CN[C@H]1CCN(C(=O)c2cccc(C)c2)[C@H]1C ZINC000985918574 620052304 /nfs/dbraw/zinc/05/23/04/620052304.db2.gz ZEJBWEFSZTWSBE-ZFWWWQNUSA-N 0 1 292.810 2.940 20 30 CFEDMN C=C(Cl)CN[C@H]1CCN(C(=O)C(F)=C(C)C)[C@H]1C ZINC000986150887 620073668 /nfs/dbraw/zinc/07/36/68/620073668.db2.gz QTBDCCFVVXZHLA-QWRGUYRKSA-N 0 1 274.767 2.581 20 30 CFEDMN C=C(Cl)CN[C@@H]1CCN(C(=O)c2ccoc2CC)[C@@H]1C ZINC000986234163 620077456 /nfs/dbraw/zinc/07/74/56/620077456.db2.gz LFBAHQMJSPTQCD-DGCLKSJQSA-N 0 1 296.798 2.787 20 30 CFEDMN C=C(Cl)CN[C@@H]1CCN(C(=O)Cc2ccccc2)[C@@H]1C ZINC000986437469 620082035 /nfs/dbraw/zinc/08/20/35/620082035.db2.gz OZWXJMWBVGNYIM-UKRRQHHQSA-N 0 1 292.810 2.561 20 30 CFEDMN C=C(Cl)CN[C@H]1CCN(C(=O)c2cocc2C)[C@H]1C ZINC000986671929 620096522 /nfs/dbraw/zinc/09/65/22/620096522.db2.gz QYEDBJZQPJVMSZ-AAEUAGOBSA-N 0 1 282.771 2.533 20 30 CFEDMN N#Cc1csc(CNCc2cnn(CC3CCC3)c2)c1 ZINC000897433453 620144834 /nfs/dbraw/zinc/14/48/34/620144834.db2.gz WMWLRQLOHZBEKR-UHFFFAOYSA-N 0 1 286.404 2.906 20 30 CFEDMN C=C(Cl)CN[C@H]1C[C@H](C)N(C(=O)Cc2cccs2)C1 ZINC000987811081 620154761 /nfs/dbraw/zinc/15/47/61/620154761.db2.gz GJPOUIXKFWHKMF-RYUDHWBXSA-N 0 1 298.839 2.622 20 30 CFEDMN C=C(Cl)CN[C@H]1C[C@@H](C)N(C(=O)Cc2cccs2)C1 ZINC000987811076 620154782 /nfs/dbraw/zinc/15/47/82/620154782.db2.gz GJPOUIXKFWHKMF-NEPJUHHUSA-N 0 1 298.839 2.622 20 30 CFEDMN C=C(Cl)CN[C@@H]1C[C@@H](C)N(C(=O)/C=C(/C)C2CC2)C1 ZINC000988196147 620162772 /nfs/dbraw/zinc/16/27/72/620162772.db2.gz CIOSZMNLWZRYIQ-SZHCGUONSA-N 0 1 282.815 2.674 20 30 CFEDMN C=C(Cl)CN[C@@H]1C[C@@H](C)N(C(=O)C(F)=C(C)C)C1 ZINC000988591575 620203656 /nfs/dbraw/zinc/20/36/56/620203656.db2.gz RHKMFTDZGRJEAE-GHMZBOCLSA-N 0 1 274.767 2.581 20 30 CFEDMN C=C(Cl)CN[C@@H]1C[C@@H](C)N(C(=O)c2c(C)coc2C)C1 ZINC000988759236 620220639 /nfs/dbraw/zinc/22/06/39/620220639.db2.gz SLODDFXFGAJIRP-DGCLKSJQSA-N 0 1 296.798 2.842 20 30 CFEDMN C=C(Cl)CN[C@H]1C[C@@H](C)N(C(=O)c2[nH]c(C)cc2C)C1 ZINC000989045097 620230167 /nfs/dbraw/zinc/23/01/67/620230167.db2.gz YTEOIWJXTWVBOR-OLZOCXBDSA-N 0 1 295.814 2.577 20 30 CFEDMN C=CCN1CCC[C@H](NC(=O)C(C)=C2CCCC2)C1 ZINC001007056374 620243527 /nfs/dbraw/zinc/24/35/27/620243527.db2.gz FZMNJRLIEVTZHP-HNNXBMFYSA-N 0 1 262.397 2.644 20 30 CFEDMN CC(C)(C)N1CC[C@H]1C(=O)N[C@H]1CCc2cc(C#N)ccc21 ZINC000897594033 620254250 /nfs/dbraw/zinc/25/42/50/620254250.db2.gz LMVJHEPNVARZNW-HOTGVXAUSA-N 0 1 297.402 2.535 20 30 CFEDMN C[C@H](CCC#N)CN1CCO[C@H](c2ccc(C#N)cc2)C1 ZINC000897596577 620254759 /nfs/dbraw/zinc/25/47/59/620254759.db2.gz RAJXTVFTEYGXLF-PBHICJAKSA-N 0 1 283.375 2.871 20 30 CFEDMN C=CCN1CCCN(C(=O)c2ccc3ccn(C)c3c2)CC1 ZINC000989412296 620259943 /nfs/dbraw/zinc/25/99/43/620259943.db2.gz MZBNUINNVLHDLS-UHFFFAOYSA-N 0 1 297.402 2.512 20 30 CFEDMN N#Cc1csc(CNCCCc2ccc3c(c2)CCO3)n1 ZINC000897629068 620263933 /nfs/dbraw/zinc/26/39/33/620263933.db2.gz PVZJDZZDNSGRFK-UHFFFAOYSA-N 0 1 299.399 2.672 20 30 CFEDMN C#Cc1ccc(CN2CC(Cc3ccoc3)C2)cc1 ZINC000898160596 620340806 /nfs/dbraw/zinc/34/08/06/620340806.db2.gz KWTPZNQYCHRRAD-UHFFFAOYSA-N 0 1 251.329 2.935 20 30 CFEDMN C#CCNC(=O)[C@@H](C)N(C)Cc1c(CC)oc2ccccc21 ZINC000192548745 620374904 /nfs/dbraw/zinc/37/49/04/620374904.db2.gz GSIGZNVZVWPDJX-CYBMUJFWSA-N 0 1 298.386 2.565 20 30 CFEDMN C=CCN1CCCN(C(=O)Cc2sc(C)cc2C)CC1 ZINC000989579732 620382657 /nfs/dbraw/zinc/38/26/57/620382657.db2.gz IKEXNVZOLIOMNQ-UHFFFAOYSA-N 0 1 292.448 2.628 20 30 CFEDMN C=C(C)CN1CCCN(C(=O)c2ccc(CC)cc2)CC1 ZINC000989592426 620382786 /nfs/dbraw/zinc/38/27/86/620382786.db2.gz WKUXWPMWWHOVMH-UHFFFAOYSA-N 0 1 286.419 2.973 20 30 CFEDMN C=CCN1CCCN(C(=O)c2cc3ccccc3[nH]2)CC1 ZINC000989628075 620384057 /nfs/dbraw/zinc/38/40/57/620384057.db2.gz SFJOBMWRTLMHET-UHFFFAOYSA-N 0 1 283.375 2.502 20 30 CFEDMN C=C(Cl)CN[C@@H]1C[C@@H](C)N(C(=O)c2ccc(C)cc2)C1 ZINC000989714734 620387370 /nfs/dbraw/zinc/38/73/70/620387370.db2.gz NMFLNMSJWXCQNK-UKRRQHHQSA-N 0 1 292.810 2.940 20 30 CFEDMN C=CCN1CCCN(C(=O)[C@@H]2CC3CCC2CC3)CC1 ZINC000989746733 620389015 /nfs/dbraw/zinc/38/90/15/620389015.db2.gz BXIPBTLXJBOSAT-UYSNPLJNSA-N 0 1 276.424 2.533 20 30 CFEDMN c1ccc2c(c1)NCCCC2=NN[C@H]1CCSC1 ZINC000808003141 620418715 /nfs/dbraw/zinc/41/87/15/620418715.db2.gz JHZIQVIFBTZPSE-NSHDSACASA-N 0 1 261.394 2.692 20 30 CFEDMN C=CCN1CC[C@@H](NC(=O)c2cc3ccccc3nc2C)C1 ZINC001014620678 620445090 /nfs/dbraw/zinc/44/50/90/620445090.db2.gz UZRNUOUKYHBQJO-OAHLLOKOSA-N 0 1 295.386 2.533 20 30 CFEDMN C=CCCC(C)(C)CNC(=O)c1cncc2nc[nH]c21 ZINC000899157616 620526910 /nfs/dbraw/zinc/52/69/10/620526910.db2.gz JEXVWHCFELJEOT-UHFFFAOYSA-N 0 1 272.352 2.680 20 30 CFEDMN C#CCCc1cc(=O)n(-c2cccc3c2OC(F)(F)O3)[nH]1 ZINC000899355611 620549031 /nfs/dbraw/zinc/54/90/31/620549031.db2.gz BOTKGALQDMOGMU-UHFFFAOYSA-N 0 1 292.241 2.514 20 30 CFEDMN CCn1cc(/C=C/C(=O)c2ccc(OC)cc2O)c(C)n1 ZINC000899362339 620553164 /nfs/dbraw/zinc/55/31/64/620553164.db2.gz QMVWFURCUHEXMG-VMPITWQZSA-N 0 1 286.331 2.822 20 30 CFEDMN Cn1nc2c(c1/C=C/C(=O)c1ccccc1O)CCC2 ZINC000899362310 620553272 /nfs/dbraw/zinc/55/32/72/620553272.db2.gz PRHNOPAXWADGSC-MDZDMXLPSA-N 0 1 268.316 2.511 20 30 CFEDMN CC1(C)CCC[C@@H](C(=O)C(C#N)C(=O)NC2CCCC2)C1 ZINC000179384863 620850727 /nfs/dbraw/zinc/85/07/27/620850727.db2.gz RTWCCFQCVCWRLG-OCCSQVGLSA-N 0 1 290.407 2.970 20 30 CFEDMN C=CCOc1ccccc1C[N@@H+]1C[C@@H](C)[C@](C)(C(=O)[O-])C1 ZINC000901541951 620851112 /nfs/dbraw/zinc/85/11/12/620851112.db2.gz BJXKNGZTVCKIQU-CXAGYDPISA-N 0 1 289.375 2.794 20 30 CFEDMN C=CC[N@@H+](CC(=O)[O-])C[C@H](c1ccccc1)C(C)C ZINC000901585977 620862443 /nfs/dbraw/zinc/86/24/43/620862443.db2.gz HPTBHHUDYJFXJQ-HNNXBMFYSA-N 0 1 261.365 2.999 20 30 CFEDMN C=CC[N@@H+](CC(=O)[O-])Cc1ccc(OCC)c(OCC)c1 ZINC000901587619 620862988 /nfs/dbraw/zinc/86/29/88/620862988.db2.gz WWOGBLLGZHLSIA-UHFFFAOYSA-N 0 1 293.363 2.557 20 30 CFEDMN C=CC[N@@H+](CC(=O)[O-])C/C(C)=C\c1cccc([N+](=O)[O-])c1 ZINC000901585294 620870070 /nfs/dbraw/zinc/87/00/70/620870070.db2.gz CSSYDPUNYOPPGK-WQLSENKSSA-N 0 1 290.319 2.571 20 30 CFEDMN C#CCOc1cccc(Cl)c1C[N@@H+](CCC)CC(=O)[O-] ZINC000901604885 620872051 /nfs/dbraw/zinc/87/20/51/620872051.db2.gz AQGPTRMMVRYLTI-UHFFFAOYSA-N 0 1 295.766 2.649 20 30 CFEDMN C=C(Br)CN1CCCCC[C@H]1C[C@@H](C)O ZINC000163154314 625451072 /nfs/dbraw/zinc/45/10/72/625451072.db2.gz LDDDGEMVBOIVNL-NEPJUHHUSA-N 0 1 276.218 2.911 20 30 CFEDMN C#CCCOc1ccc(C[N@H+](CC(=O)[O-])[C@H](C)CC)cc1 ZINC000901986778 620949573 /nfs/dbraw/zinc/94/95/73/620949573.db2.gz CJWWTCUFFRXETP-CQSZACIVSA-N 0 1 289.375 2.774 20 30 CFEDMN C=CCCCN(CC)CN1C(=O)[C@H](C2CC2)[C@H]1C1CC1 ZINC000902668444 621148313 /nfs/dbraw/zinc/14/83/13/621148313.db2.gz ARYUZAVOCDRZRU-HZPDHXFCSA-N 0 1 276.424 2.879 20 30 CFEDMN C[C@@H](NCCOC1CCCCC1)c1cc(C#N)ccn1 ZINC000902777344 621171076 /nfs/dbraw/zinc/17/10/76/621171076.db2.gz VZGVTNTZFQDXCS-CYBMUJFWSA-N 0 1 273.380 2.953 20 30 CFEDMN CC[C@H](C)c1nc([C@@H](C)N[C@H](C)c2cc(C#N)ccn2)n[nH]1 ZINC000902969320 621211775 /nfs/dbraw/zinc/21/17/75/621211775.db2.gz DDRBHVOTGWFJLQ-QJPTWQEYSA-N 0 1 298.394 2.997 20 30 CFEDMN CC[C@H](NCc1n[nH]c(C2CC2)n1)c1cccc(C#N)c1 ZINC000903005766 621227897 /nfs/dbraw/zinc/22/78/97/621227897.db2.gz ZMSKXCCMERUSBH-AWEZNQCLSA-N 0 1 281.363 2.795 20 30 CFEDMN C[C@@H](NCC1(C#N)CCC1)c1cccc(-n2ccnn2)c1 ZINC000903035534 621230697 /nfs/dbraw/zinc/23/06/97/621230697.db2.gz QVDYRPYYRVPPLY-CYBMUJFWSA-N 0 1 281.363 2.612 20 30 CFEDMN C[C@@H]1C[C@H](NCC2(C#N)CC2)c2c1c(F)ccc2O ZINC000903106027 621255185 /nfs/dbraw/zinc/25/51/85/621255185.db2.gz LKECTSKEMZQRDZ-KOLCDFICSA-N 0 1 260.312 2.973 20 30 CFEDMN C#C[C@H](N[C@H](C)c1cnn(CC2CCC2)c1)[C@H]1CCCO1 ZINC000903152832 621268871 /nfs/dbraw/zinc/26/88/71/621268871.db2.gz PXHBFAZOMYNLAL-XOKHGSTOSA-N 0 1 287.407 2.515 20 30 CFEDMN N#C[C@H]1CCC[C@@H](NCc2nc3c(s2)CCC3)C1 ZINC000903190932 621286363 /nfs/dbraw/zinc/28/63/63/621286363.db2.gz IMHPPAAFYLJSSN-WDEREUQCSA-N 0 1 261.394 2.804 20 30 CFEDMN N#C[C@@H]1CCC[C@@H](NCc2nc3c(s2)CCC3)C1 ZINC000903190929 621286743 /nfs/dbraw/zinc/28/67/43/621286743.db2.gz IMHPPAAFYLJSSN-GHMZBOCLSA-N 0 1 261.394 2.804 20 30 CFEDMN Cc1ccc([C@@H](C)NCc2nc(C#N)cs2)c(O)c1 ZINC000903262404 621303401 /nfs/dbraw/zinc/30/34/01/621303401.db2.gz DWWHKZWGPHDNNR-SNVBAGLBSA-N 0 1 273.361 2.880 20 30 CFEDMN COC1([C@@H](C)NCc2nc(C#N)cs2)CCCCC1 ZINC000903264443 621304852 /nfs/dbraw/zinc/30/48/52/621304852.db2.gz TXXDFMTVJODIBV-LLVKDONJSA-N 0 1 279.409 2.842 20 30 CFEDMN Cc1cc(C#N)cc(C)c1C[N@@H+]1C[C@H](C(=O)[O-])CC[C@H]1C ZINC000903407358 621362551 /nfs/dbraw/zinc/36/25/51/621362551.db2.gz GRLAIKYUIDFCKW-UKRRQHHQSA-N 0 1 286.375 2.860 20 30 CFEDMN C[C@H]1CCC[N@@H+](Cc2cc(Cl)cc(C#N)c2)[C@H]1C(=O)[O-] ZINC000903407717 621363336 /nfs/dbraw/zinc/36/33/36/621363336.db2.gz KIKUYZMGLXEYCR-IINYFYTJSA-N 0 1 292.766 2.897 20 30 CFEDMN C[C@@H]1C[C@@H](C(=O)[O-])C[N@@H+](Cc2cc(Cl)cc(C#N)c2)C1 ZINC000903409387 621364816 /nfs/dbraw/zinc/36/48/16/621364816.db2.gz YPEMYVVWKCHJCW-ZWNOBZJWSA-N 0 1 292.766 2.754 20 30 CFEDMN N#Cc1cc(Cl)cc(C[N@@H+]2CCCC[C@H]2C(=O)[O-])c1 ZINC000903402849 621369284 /nfs/dbraw/zinc/36/92/84/621369284.db2.gz ZQJXUCIGGBUCCW-ZDUSSCGKSA-N 0 1 278.739 2.651 20 30 CFEDMN CC[C@H](NCc1cnc2n1CCOC2)c1cccc(C#N)c1 ZINC000903421087 621378293 /nfs/dbraw/zinc/37/82/93/621378293.db2.gz RPYCQBQNKSUFHN-INIZCTEOSA-N 0 1 296.374 2.526 20 30 CFEDMN CC[C@@H](NCc1cnc2n1CCOC2)c1cccc(C#N)c1 ZINC000903421088 621378766 /nfs/dbraw/zinc/37/87/66/621378766.db2.gz RPYCQBQNKSUFHN-MRXNPFEDSA-N 0 1 296.374 2.526 20 30 CFEDMN C=CC[C@H](C)[N@H+]1CCc2c(F)ccc(C(=O)[O-])c2C1 ZINC000903606521 621400966 /nfs/dbraw/zinc/40/09/66/621400966.db2.gz KHVNNFKNKJLZLY-JTQLQIEISA-N 0 1 263.312 2.847 20 30 CFEDMN C=CC[C@@H](C)[N@@H+]1CCc2c(C(=O)[O-])ccc(OC)c2C1 ZINC000903607868 621402162 /nfs/dbraw/zinc/40/21/62/621402162.db2.gz NOIVLENEZNHGRP-LLVKDONJSA-N 0 1 275.348 2.716 20 30 CFEDMN C=CCCCC[N@@H+]1CC[C@H](C(=O)[O-])C[C@H]1[C@H]1CCCO1 ZINC000903945050 621483824 /nfs/dbraw/zinc/48/38/24/621483824.db2.gz UQRPPEFSNQDAJO-SOUVJXGZSA-N 0 1 281.396 2.687 20 30 CFEDMN C=CC(C)(C)CCCNC(=O)Cc1n[nH]c2c1CCCC2 ZINC000832718537 625494998 /nfs/dbraw/zinc/49/49/98/625494998.db2.gz KCWNQNITWWTAFB-UHFFFAOYSA-N 0 1 289.423 2.940 20 30 CFEDMN Cc1ncc(C(=O)N(O)CCCCc2ccccc2)[nH]1 ZINC000904196702 621547926 /nfs/dbraw/zinc/54/79/26/621547926.db2.gz CTMGRDLDJKGUIO-UHFFFAOYSA-N 0 1 273.336 2.572 20 30 CFEDMN N#Cc1sccc1-c1ccc([C@H]2COCCN2)cc1 ZINC000904894974 621673686 /nfs/dbraw/zinc/67/36/86/621673686.db2.gz LGPUAUIBIAPHLW-CQSZACIVSA-N 0 1 270.357 2.948 20 30 CFEDMN CCN1CCN(c2nc3ccccc3cc2C#N)C[C@@H]1C ZINC000071390151 625512293 /nfs/dbraw/zinc/51/22/93/625512293.db2.gz KLXPZSXHXMCPQX-ZDUSSCGKSA-N 0 1 280.375 2.637 20 30 CFEDMN CCCn1cc(/C=C\C(=O)c2cccc(CN(C)C)c2)nn1 ZINC000905078529 621690439 /nfs/dbraw/zinc/69/04/39/621690439.db2.gz USEBGAUDLWJBJU-HJWRWDBZSA-N 0 1 298.390 2.646 20 30 CFEDMN CC(C)c1ncc(/C=C2/C(=O)c3ncnn3C2C)s1 ZINC000905083055 621691640 /nfs/dbraw/zinc/69/16/40/621691640.db2.gz AWNQBGBHDFJUBS-JVVDXDAESA-N 0 1 274.349 2.699 20 30 CFEDMN N#C[C@]1(c2nc(C3(N)CCCC3)no2)CC2CCC1CC2 ZINC000905305551 621746404 /nfs/dbraw/zinc/74/64/04/621746404.db2.gz OBGBTXGOPOMTRC-KOHJWAIASA-N 0 1 286.379 2.769 20 30 CFEDMN c1cc2ncnc(N=NC3C[C@H]4CCC[N@H+](C3)C4)c2s1 ZINC000905455309 621776073 /nfs/dbraw/zinc/77/60/73/621776073.db2.gz GLGYPCIOQOLQGP-SNVBAGLBSA-N 0 1 287.392 2.575 20 30 CFEDMN CCOCc1nc(C)cc(N=NCc2ccoc2C)n1 ZINC000905503627 621783240 /nfs/dbraw/zinc/78/32/40/621783240.db2.gz ZQLQLJXFUCUBQZ-UHFFFAOYSA-N 0 1 274.324 2.669 20 30 CFEDMN Cc1cc(Cn2cc(CN(C)C(C)(C)C)nn2)ccc1C#N ZINC000905809585 621869541 /nfs/dbraw/zinc/86/95/41/621869541.db2.gz ZMLXRHZVQOLIDJ-UHFFFAOYSA-N 0 1 297.406 2.737 20 30 CFEDMN CC(C)N1CCC[C@@H]1C(=O)N1CCCc2cc(C#N)ccc21 ZINC000905830450 621879970 /nfs/dbraw/zinc/87/99/70/621879970.db2.gz DCSUNCJZAIYTRI-QGZVFWFLSA-N 0 1 297.402 2.710 20 30 CFEDMN CNCc1ncc(-c2ccc(C3CC3)c(C#N)c2)cn1 ZINC000906200642 621951431 /nfs/dbraw/zinc/95/14/31/621951431.db2.gz UAIJDFXXUZSVKP-UHFFFAOYSA-N 0 1 264.332 2.612 20 30 CFEDMN N#C[C@@]1(C(=O)N[C@@H]2CCCc3cn[nH]c32)CC2CCC1CC2 ZINC000907046038 622078964 /nfs/dbraw/zinc/07/89/64/622078964.db2.gz YVVHPRVMCWNIEJ-FLHNKZHLSA-N 0 1 298.390 2.623 20 30 CFEDMN C=CC(C)(C)CC(=O)Nc1n[nH]c2cc(O)ccc21 ZINC000908334653 622216945 /nfs/dbraw/zinc/21/69/45/622216945.db2.gz CLWHPDFUPKWQJG-UHFFFAOYSA-N 0 1 259.309 2.809 20 30 CFEDMN C=CCn1c([C@H](C)CC)nnc1N1CCN(C)C(C)(C)C1 ZINC000908664168 622257135 /nfs/dbraw/zinc/25/71/35/622257135.db2.gz CWQMLUWWRLHRAJ-CYBMUJFWSA-N 0 1 291.443 2.508 20 30 CFEDMN C=C1C[C@H]2CC[C@@H](C1)N2c1ccc(C(=O)[O-])c(C)[nH+]1 ZINC000910323690 622434362 /nfs/dbraw/zinc/43/43/62/622434362.db2.gz OXVCDJYBZRXSSW-TXEJJXNPSA-N 0 1 258.321 2.776 20 30 CFEDMN C[C@@H]1CC(N=Nc2cc(Cl)nc(Cl)c2)CN1C ZINC000819828595 622565344 /nfs/dbraw/zinc/56/53/44/622565344.db2.gz JMZPORDEFNRTSG-SSDOTTSWSA-N 0 1 273.167 2.880 20 30 CFEDMN C=C[C@H](C)ONC(=O)Cc1sc(C2CCC2)nc1C ZINC000911902826 622578722 /nfs/dbraw/zinc/57/87/22/622578722.db2.gz HOUPWQXKLCCPAF-VIFPVBQESA-N 0 1 280.393 2.884 20 30 CFEDMN C[C@@H]1CCCC[C@H]1C(=O)[C@H](C#N)C(=O)NC1CCCC1 ZINC000819947401 622580221 /nfs/dbraw/zinc/58/02/21/622580221.db2.gz BHSPUJAZCPHRRD-BNOWGMLFSA-N 0 1 276.380 2.580 20 30 CFEDMN C#C[C@H](C)NC(=O)N1CCC[C@H]1c1nc2ccc(C)cc2[nH]1 ZINC000820430076 622672471 /nfs/dbraw/zinc/67/24/71/622672471.db2.gz ZJERFJBCRGVZNO-WFASDCNBSA-N 0 1 296.374 2.740 20 30 CFEDMN c1ccc(N2CCCCC2)c(CN=Nc2cnccn2)c1 ZINC000912961025 622804783 /nfs/dbraw/zinc/80/47/83/622804783.db2.gz BOVYDOPGWFVVIM-UHFFFAOYSA-N 0 1 281.363 2.913 20 30 CFEDMN C=CC[C@@H]1CCN(C(=O)[C@@H]2c3cn[nH]c3CC[C@H]2C)C1 ZINC000912983540 622812205 /nfs/dbraw/zinc/81/22/05/622812205.db2.gz BZHDYPPLSLBHEW-JMSVASOKSA-N 0 1 273.380 2.500 20 30 CFEDMN CCCC[C@@H](ON=C(C)C)C(=O)O[C@H](C)c1n[nH]c(C)n1 ZINC000840454297 622882958 /nfs/dbraw/zinc/88/29/58/622882958.db2.gz DFPCXULWIFERNA-ZYHUDNBSSA-N 0 1 296.371 2.689 20 30 CFEDMN N#Cc1ccc2ncc(/C=C/C(=O)c3ccccc3O)n2c1 ZINC000156596191 622948361 /nfs/dbraw/zinc/94/83/61/622948361.db2.gz NSTDPPPMCNRWIB-VOTSOKGWSA-N 0 1 289.294 2.808 20 30 CFEDMN CC(C)(C)[C@@H](C#N)OC(=O)c1cc2[nH]cnc2cc1F ZINC000821627671 622957158 /nfs/dbraw/zinc/95/71/58/622957158.db2.gz KJFNHBQVCOJOBR-GFCCVEGCSA-N 0 1 275.283 2.797 20 30 CFEDMN O=C(/C=C/c1cc(O)ccc1[N+](=O)[O-])c1cncc(F)c1 ZINC000157314364 623028363 /nfs/dbraw/zinc/02/83/63/623028363.db2.gz VHYCCTNKBFKYNW-DAFODLJHSA-N 0 1 288.234 2.731 20 30 CFEDMN O=C(/C=C/c1cc(O)ccc1[N+](=O)[O-])c1ccco1 ZINC000157324154 623029706 /nfs/dbraw/zinc/02/97/06/623029706.db2.gz MINZZQYCUWGRES-ZZXKWVIFSA-N 0 1 259.217 2.790 20 30 CFEDMN CCCCCC[C@@H](C)CC(=O)[C@H](C#N)C(=O)NC1CC1 ZINC000171036647 623201366 /nfs/dbraw/zinc/20/13/66/623201366.db2.gz LJTFJDLTVWMJCG-OCCSQVGLSA-N 0 1 278.396 2.970 20 30 CFEDMN N#CC(C(=O)CC1CCC1)C(=O)Nc1ccccc1 ZINC000173967139 623377690 /nfs/dbraw/zinc/37/76/90/623377690.db2.gz ILRZQDGTYHYGCM-ZDUSSCGKSA-N 0 1 256.305 2.524 20 30 CFEDMN CCCCCNC(=O)C(C#N)C(=O)CC(CC)CC ZINC000151545270 623486832 /nfs/dbraw/zinc/48/68/32/623486832.db2.gz TWWSOACUCZRXBJ-ZDUSSCGKSA-N 0 1 266.385 2.828 20 30 CFEDMN CN(CCC#N)c1ccc(CN2CC[C@@H](F)C2)cc1 ZINC000824570269 623525314 /nfs/dbraw/zinc/52/53/14/623525314.db2.gz ADYIQQXLFZIFCF-CQSZACIVSA-N 0 1 261.344 2.580 20 30 CFEDMN C=CC1(CC(=O)N(C)Cc2cnc[nH]2)CCCCC1 ZINC000824628939 623535450 /nfs/dbraw/zinc/53/54/50/623535450.db2.gz MPVMZELUEGALGP-UHFFFAOYSA-N 0 1 261.369 2.895 20 30 CFEDMN C#Cc1cccc(CNCc2c(C)nc3sc(C)nn32)c1 ZINC000825227158 623654236 /nfs/dbraw/zinc/65/42/36/623654236.db2.gz RBFWLKZHJWDSQQ-UHFFFAOYSA-N 0 1 296.399 2.679 20 30 CFEDMN C#CCOc1cccc(Cl)c1CNC[C@H](O)C1CCC1 ZINC000825241017 623656328 /nfs/dbraw/zinc/65/63/28/623656328.db2.gz UCEHICPADIKKHB-HNNXBMFYSA-N 0 1 293.794 2.603 20 30 CFEDMN CC1(C)CCC(CC(=O)C(C#N)C(=O)N2CCCC2)CC1 ZINC000152159718 623656540 /nfs/dbraw/zinc/65/65/40/623656540.db2.gz WKVLIBQFBFCJLU-AWEZNQCLSA-N 0 1 290.407 2.924 20 30 CFEDMN C=CCN1CC[C@H](NC(=O)[C@H](c2ccccc2)C2CC2)C1 ZINC001015267906 623710649 /nfs/dbraw/zinc/71/06/49/623710649.db2.gz FELTWTMJQDCCMK-DLBZAZTESA-N 0 1 284.403 2.557 20 30 CFEDMN C#C[C@@H](CC)NCc1cncc(Br)c1C ZINC000825878968 623764896 /nfs/dbraw/zinc/76/48/96/623764896.db2.gz XYQVICPUGRVQGO-NSHDSACASA-N 0 1 267.170 2.654 20 30 CFEDMN N#Cc1cncc(C[N@H+]2CCS[C@H]3CCCC[C@@H]32)c1 ZINC000929818472 623795611 /nfs/dbraw/zinc/79/56/11/623795611.db2.gz XDTWYSFLNVUPAV-GJZGRUSLSA-N 0 1 273.405 2.813 20 30 CFEDMN N#Cc1cncc(CN2CCS[C@H]3CCCC[C@@H]32)c1 ZINC000929818472 623795615 /nfs/dbraw/zinc/79/56/15/623795615.db2.gz XDTWYSFLNVUPAV-GJZGRUSLSA-N 0 1 273.405 2.813 20 30 CFEDMN C#C[C@@H](C)OC(=O)c1ccc(-c2nnc(C3CC3)[nH]2)cc1 ZINC000153010712 623823235 /nfs/dbraw/zinc/82/32/35/623823235.db2.gz KOZSJDYMSYBWPL-SNVBAGLBSA-N 0 1 281.315 2.528 20 30 CFEDMN C=C(C)C[N@@H+]1CCC[C@@H](NC(=O)c2ccc(F)cc2)[C@H]1C ZINC000992975681 623824746 /nfs/dbraw/zinc/82/47/46/623824746.db2.gz YHXYTDCGNUCZKE-CZUORRHYSA-N 0 1 290.382 2.985 20 30 CFEDMN C=CC[N@@H+]1CCC[C@@H](NC(=O)C2CCCCC2)[C@@H]1C ZINC000992987381 623835051 /nfs/dbraw/zinc/83/50/51/623835051.db2.gz NYLINTISQOPNEE-DZGCQCFKSA-N 0 1 264.413 2.722 20 30 CFEDMN C=CCN1CCC[C@@H](NC(=O)C2CCCCC2)[C@@H]1C ZINC000992987381 623835058 /nfs/dbraw/zinc/83/50/58/623835058.db2.gz NYLINTISQOPNEE-DZGCQCFKSA-N 0 1 264.413 2.722 20 30 CFEDMN C=C(C)CN1CC[C@@H]1CN(C)C(=O)[C@H]1C[C@@H]1c1ccccc1 ZINC001085858543 782187412 /nfs/dbraw/zinc/18/74/12/782187412.db2.gz BQFCMPSPKRUUNO-KURKYZTESA-N 0 1 298.430 2.899 20 30 CFEDMN Cn1cc(N=NCc2ccc(OCC3CC3)cc2)cn1 ZINC000761863894 623840299 /nfs/dbraw/zinc/84/02/99/623840299.db2.gz DWIJIZBOLNSHFF-UHFFFAOYSA-N 0 1 270.336 2.655 20 30 CFEDMN Fc1cccc(F)c1C=NNc1cncc(Cl)n1 ZINC000914560247 623898555 /nfs/dbraw/zinc/89/85/55/623898555.db2.gz UXZMOJHXYRBCAM-UHFFFAOYSA-N 0 1 268.654 2.854 20 30 CFEDMN C[C@H]1CN(Cc2ccccc2)CC1=NOC[C@@H]1CCOC1 ZINC000788033656 623964557 /nfs/dbraw/zinc/96/45/57/623964557.db2.gz JZYKOLMCVBVGAB-GOEBONIOSA-N 0 1 288.391 2.547 20 30 CFEDMN C=CC(C)(C)COC(=O)[C@]1(F)CCN(C(C)(C)C)C1 ZINC000835722133 624025262 /nfs/dbraw/zinc/02/52/62/624025262.db2.gz OUDZFWIYKFZMKG-HNNXBMFYSA-N 0 1 271.376 2.954 20 30 CFEDMN CCCCCC[C@](C)(CCC)C(=O)N[C@H]1CNC[C@@H]1C#N ZINC000834490323 625693407 /nfs/dbraw/zinc/69/34/07/625693407.db2.gz UEIQBTUXENSOFB-ZOBUZTSGSA-N 0 1 293.455 2.991 20 30 CFEDMN C#C[C@@H](NCc1cc(Cl)ccc1F)C1CCOCC1 ZINC000827566064 624033841 /nfs/dbraw/zinc/03/38/41/624033841.db2.gz RORNPQLRHSQKDT-OAHLLOKOSA-N 0 1 281.758 2.997 20 30 CFEDMN C#C[C@H](NCc1cscc1Cl)C1CCOCC1 ZINC000827566202 624035329 /nfs/dbraw/zinc/03/53/29/624035329.db2.gz TWYLIOXDYWVQEL-ZDUSSCGKSA-N 0 1 269.797 2.920 20 30 CFEDMN Cc1cc(N(C)C)ccc1CN1CC[C@@](C)(C#N)C1 ZINC000827650050 624051931 /nfs/dbraw/zinc/05/19/31/624051931.db2.gz MREFWYXVOOORRR-INIZCTEOSA-N 0 1 257.381 2.797 20 30 CFEDMN CC#CCN1CCC[C@H](NC(=O)c2ccsc2C)[C@@H]1C ZINC000993308235 624074964 /nfs/dbraw/zinc/07/49/64/624074964.db2.gz ALAYEJOPNLXUDE-WFASDCNBSA-N 0 1 290.432 2.663 20 30 CFEDMN C=CCN1CCC[C@@H](NC(=O)c2cc(C)cs2)[C@H]1C ZINC000993314922 624084304 /nfs/dbraw/zinc/08/43/04/624084304.db2.gz PWPJXFBBDVXIFS-CHWSQXEVSA-N 0 1 278.421 2.825 20 30 CFEDMN C#CCCN(CCOC)Cc1cn(-c2ccccc2)nc1C ZINC000827817463 624100897 /nfs/dbraw/zinc/10/08/97/624100897.db2.gz DDJFZAWUCYXPEN-UHFFFAOYSA-N 0 1 297.402 2.652 20 30 CFEDMN C#CCN1CCC[C@H](NC(=O)C2CCC3(CC3)CC2)[C@H]1C ZINC000993629138 624156932 /nfs/dbraw/zinc/15/69/32/624156932.db2.gz YWOCMWDMUNFNDM-ZBFHGGJFSA-N 0 1 288.435 2.559 20 30 CFEDMN C=CCN1CCC[C@@H](NC(=O)C2CCC(=C)CC2)[C@H]1C ZINC000993741170 624163236 /nfs/dbraw/zinc/16/32/36/624163236.db2.gz KBWBQQJRCCUWIE-GDBMZVCRSA-N 0 1 276.424 2.888 20 30 CFEDMN CC#CCN1CCC[C@@H](NC(=O)CC2CC(C)(C)C2)[C@@H]1C ZINC000993740449 624163307 /nfs/dbraw/zinc/16/33/07/624163307.db2.gz HPFZKRDPIPQSRG-GOEBONIOSA-N 0 1 290.451 2.805 20 30 CFEDMN C=CCN1CCC[C@H](NC(=O)c2ccc3[nH]ccc3c2)[C@@H]1C ZINC000993738441 624163341 /nfs/dbraw/zinc/16/33/41/624163341.db2.gz BLVOGGBYIBMFAO-BBRMVZONSA-N 0 1 297.402 2.937 20 30 CFEDMN C=CCN1CCC[C@H](NC(=O)c2ccncc2Cl)[C@@H]1C ZINC000993867583 624174059 /nfs/dbraw/zinc/17/40/59/624174059.db2.gz YXROBXFRIQZONJ-FZMZJTMJSA-N 0 1 293.798 2.504 20 30 CFEDMN C=CCN1CCC[C@H](NC(=O)C2(C)CC(F)(F)C2)[C@@H]1C ZINC000994209909 624183030 /nfs/dbraw/zinc/18/30/30/624183030.db2.gz WVLMVAOFKOUROR-RYUDHWBXSA-N 0 1 286.366 2.577 20 30 CFEDMN COc1cccc(NN=C2Oc3cc(O)cc(C)c3C2=O)c1 ZINC000915956322 624192047 /nfs/dbraw/zinc/19/20/47/624192047.db2.gz VAKATWWJDSAKIA-UHFFFAOYSA-N 0 1 298.298 2.710 20 30 CFEDMN COc1cccc(C=NNc2nc3ccccc3n2C)c1O ZINC000915971172 624197269 /nfs/dbraw/zinc/19/72/69/624197269.db2.gz HMSGOGRSQKXVBF-UHFFFAOYSA-N 0 1 296.330 2.734 20 30 CFEDMN Cc1ccc(C=NNCCN2CCCCC2)cc1C ZINC000915975897 624199871 /nfs/dbraw/zinc/19/98/71/624199871.db2.gz YBINKTFEDXCVSB-UHFFFAOYSA-N 0 1 259.397 2.713 20 30 CFEDMN CC(=NNCCN1CCCCC1)c1ccccc1F ZINC000915974880 624199914 /nfs/dbraw/zinc/19/99/14/624199914.db2.gz XHMOWTIUXBYKIC-UHFFFAOYSA-N 0 1 263.360 2.625 20 30 CFEDMN COc1ccc(C=NNCCN2CCCCC2)c(Cl)c1 ZINC000915974888 624200004 /nfs/dbraw/zinc/20/00/04/624200004.db2.gz XQQUJYIYLBHNKT-UHFFFAOYSA-N 0 1 295.814 2.758 20 30 CFEDMN CC#CCN1CCC[C@H](NC(=O)[C@H]2CC[C@H](C)CC2)[C@@H]1C ZINC000994253162 624241016 /nfs/dbraw/zinc/24/10/16/624241016.db2.gz QUYDUTMXQHAIMP-QAETUUGQSA-N 0 1 290.451 2.805 20 30 CFEDMN C=CCN1CCC[C@@H](NC(=O)c2ccc(Cl)cn2)[C@H]1C ZINC000994270724 624267442 /nfs/dbraw/zinc/26/74/42/624267442.db2.gz IDVZOFILVNNFPN-DGCLKSJQSA-N 0 1 293.798 2.504 20 30 CFEDMN C#CCN1CCC[C@H](NC(=O)c2cc(C)ccc2C)[C@@H]1C ZINC000994298388 624275093 /nfs/dbraw/zinc/27/50/93/624275093.db2.gz RAQWCLPSVMBBLO-RDJZCZTQSA-N 0 1 284.403 2.519 20 30 CFEDMN C#CC[N@@H+]1CCC[C@@H](NC(=O)c2ccc(C)c(C)c2)[C@H]1C ZINC000994353736 624278326 /nfs/dbraw/zinc/27/83/26/624278326.db2.gz RAQKMIUIAWAUDK-NVXWUHKLSA-N 0 1 284.403 2.519 20 30 CFEDMN C#CCN1CCC[C@@H](NC(=O)c2ccc(C)c(C)c2)[C@H]1C ZINC000994353736 624278330 /nfs/dbraw/zinc/27/83/30/624278330.db2.gz RAQKMIUIAWAUDK-NVXWUHKLSA-N 0 1 284.403 2.519 20 30 CFEDMN C=CCc1ccccc1OC(=O)c1ccc([N+](=O)[O-])[nH]1 ZINC000916859027 624288530 /nfs/dbraw/zinc/28/85/30/624288530.db2.gz CQEDGXZPFRDIBW-UHFFFAOYSA-N 0 1 272.260 2.871 20 30 CFEDMN C=CCN1CCC[C@H](NC(=O)C2CCC=CCC2)[C@@H]1C ZINC000994456898 624303123 /nfs/dbraw/zinc/30/31/23/624303123.db2.gz XEMQLBAXTVEHOA-HOCLYGCPSA-N 0 1 276.424 2.888 20 30 CFEDMN C=CCN(CC(=O)NCc1ccc(C)cc1)C(C)C ZINC000917069624 624306920 /nfs/dbraw/zinc/30/69/20/624306920.db2.gz SLATXLQGKJPPBF-UHFFFAOYSA-N 0 1 260.381 2.508 20 30 CFEDMN C=CCN(Cc1cc([N+](=O)[O-])ccc1OC)C(C)C ZINC000917071313 624307627 /nfs/dbraw/zinc/30/76/27/624307627.db2.gz QVKBIVBGKQIPNT-UHFFFAOYSA-N 0 1 264.325 3.000 20 30 CFEDMN C=CCN(CC(=O)NC1CCCCCC1)C(C)C ZINC000917071273 624307846 /nfs/dbraw/zinc/30/78/46/624307846.db2.gz QCOVYEDTGMJKAV-UHFFFAOYSA-N 0 1 252.402 2.722 20 30 CFEDMN C=C(Cl)CN1C[C@@H]2CN(c3ccccc3)C[C@H]2C1 ZINC000917081805 624307908 /nfs/dbraw/zinc/30/79/08/624307908.db2.gz HTMWSGOHPBAXKC-ZIAGYGMSSA-N 0 1 262.784 2.807 20 30 CFEDMN C=CCN(CC(=O)N(CC(C)C)C1CC1)C(C)C ZINC000917168737 624319973 /nfs/dbraw/zinc/31/99/73/624319973.db2.gz ZHQQGDDXVQEXOG-UHFFFAOYSA-N 0 1 252.402 2.530 20 30 CFEDMN Cc1[nH]n(Cc2ccccc2C)c(=O)c1CCC#N ZINC000917345937 624333832 /nfs/dbraw/zinc/33/38/32/624333832.db2.gz RFIQXSUYYFAZJN-CQSZACIVSA-N 0 1 255.321 2.633 20 30 CFEDMN C=CC(C)(C)CC(=O)N1CCc2nc[nH]c2C12CCC2 ZINC000829051615 624360499 /nfs/dbraw/zinc/36/04/99/624360499.db2.gz GMPNNUDAGZQZNZ-UHFFFAOYSA-N 0 1 273.380 2.776 20 30 CFEDMN C#CCCCCCC(=O)N1CCc2nc[nH]c2C12CCC2 ZINC000829076698 624367039 /nfs/dbraw/zinc/36/70/39/624367039.db2.gz NKILLHZKRQRRBP-UHFFFAOYSA-N 0 1 285.391 2.757 20 30 CFEDMN CC[C@@](C)(CO)NCc1cc(C#N)ccc1Br ZINC000921667102 626054833 /nfs/dbraw/zinc/05/48/33/626054833.db2.gz AJJIHKRSKDLOTB-ZDUSSCGKSA-N 0 1 297.196 2.571 20 30 CFEDMN CN(Cc1ccccc1C#N)C[C@@]1(O)CCc2ccccc21 ZINC000829310913 624415067 /nfs/dbraw/zinc/41/50/67/624415067.db2.gz SCSDCCJOMMJFLR-IBGZPJMESA-N 0 1 292.382 2.824 20 30 CFEDMN Cc1ccccc1CON=C(N)c1ccc(N(C)C)cc1 ZINC000918185620 624426567 /nfs/dbraw/zinc/42/65/67/624426567.db2.gz UHJYGENTRFCXTJ-UHFFFAOYSA-N 0 1 283.375 2.898 20 30 CFEDMN C[C@H](O)[C@H]1CCCN(Cc2cc(Cl)cc(C#N)c2)C1 ZINC000930059820 624525614 /nfs/dbraw/zinc/52/56/14/624525614.db2.gz GOSDIAVCKXBOEM-FZMZJTMJSA-N 0 1 278.783 2.804 20 30 CFEDMN C#CC[C@@H]1CCCN(CC(=O)Nc2ccc3c(c2)CCC3)C1 ZINC000829773686 624530899 /nfs/dbraw/zinc/53/08/99/624530899.db2.gz ICGJCUYTRBHWBW-OAHLLOKOSA-N 0 1 296.414 2.849 20 30 CFEDMN C#CC[C@H]1CCCN(CC(=O)N(CC)c2ccccc2)C1 ZINC000829774408 624531146 /nfs/dbraw/zinc/53/11/46/624531146.db2.gz PUVRXXOVDQUSLX-INIZCTEOSA-N 0 1 284.403 2.775 20 30 CFEDMN C#CC[C@@H]1CCCN(CC(=O)Nc2ccccc2C)C1 ZINC000829774693 624531557 /nfs/dbraw/zinc/53/15/57/624531557.db2.gz SBSVRJKCQPSPJH-OAHLLOKOSA-N 0 1 270.376 2.669 20 30 CFEDMN C#CC[C@H]1CCCN(CC(=O)Nc2cccc(C)c2)C1 ZINC000829778798 624533233 /nfs/dbraw/zinc/53/32/33/624533233.db2.gz HLDYOUAEGYDRRB-HNNXBMFYSA-N 0 1 270.376 2.669 20 30 CFEDMN C#CC[C@H]1CCCN(Cc2ccc([N+](=O)[O-])cc2F)C1 ZINC000829784897 624536469 /nfs/dbraw/zinc/53/64/69/624536469.db2.gz NXSJMUXZEQZDEM-LBPRGKRZSA-N 0 1 276.311 2.969 20 30 CFEDMN C#CC[C@H]1CCCN(Cc2c(F)cccc2[N+](=O)[O-])C1 ZINC000829783683 624537012 /nfs/dbraw/zinc/53/70/12/624537012.db2.gz AJHCHRFSXXDURB-LBPRGKRZSA-N 0 1 276.311 2.969 20 30 CFEDMN C#CC[C@H]1CCCN(Cc2cc(F)ccc2C#N)C1 ZINC000829789441 624539611 /nfs/dbraw/zinc/53/96/11/624539611.db2.gz WESHPUGGKHKMCD-ZDUSSCGKSA-N 0 1 256.324 2.933 20 30 CFEDMN C#CC[C@H]1CCCN([C@H](C(=O)OC)c2ccccc2C)C1 ZINC000829810664 624551107 /nfs/dbraw/zinc/55/11/07/624551107.db2.gz SSKFLTIKXXAPSI-RDJZCZTQSA-N 0 1 285.387 2.944 20 30 CFEDMN C#CC[C@H]1CCCN(Cc2cnnn2-c2ccccc2)C1 ZINC000829816076 624555657 /nfs/dbraw/zinc/55/56/57/624555657.db2.gz YVPNFMDKTXZDGB-HNNXBMFYSA-N 0 1 280.375 2.503 20 30 CFEDMN CCCCCCCCCCNC(=O)C1=NC(=O)N(C)C1 ZINC000829922287 624582345 /nfs/dbraw/zinc/58/23/45/624582345.db2.gz DTICWZAQLWMNLC-UHFFFAOYSA-N 0 1 281.400 2.996 20 30 CFEDMN C#CCN(CC)C[C@@H](O)c1cccc(C(F)(F)F)c1 ZINC000920094291 624674490 /nfs/dbraw/zinc/67/44/90/624674490.db2.gz COASTCWSNOUZHM-CYBMUJFWSA-N 0 1 271.282 2.694 20 30 CFEDMN Cc1ccc([C@@H](C)NCc2cnc3c(C#N)cnn3c2)s1 ZINC000920181287 624693950 /nfs/dbraw/zinc/69/39/50/624693950.db2.gz FKGLFFCIJBOCRK-LLVKDONJSA-N 0 1 297.387 2.822 20 30 CFEDMN C#CC1CCN(CC(=O)N2CCC[C@H]3CCCC[C@H]32)CC1 ZINC000830301630 624703502 /nfs/dbraw/zinc/70/35/02/624703502.db2.gz RILUZQAGUHJSDI-IAGOWNOFSA-N 0 1 288.435 2.513 20 30 CFEDMN C#CC1CCN(Cc2cncn2Cc2ccccc2)CC1 ZINC000830345484 624716212 /nfs/dbraw/zinc/71/62/12/624716212.db2.gz FKYKGRJKNDGMIQ-UHFFFAOYSA-N 0 1 279.387 2.777 20 30 CFEDMN C#CCN1CCC(NC(=O)NCC(CC)(CC)CC)CC1 ZINC000921447872 624891928 /nfs/dbraw/zinc/89/19/28/624891928.db2.gz VTOWHEGJUAFDPZ-UHFFFAOYSA-N 0 1 293.455 2.600 20 30 CFEDMN C=C1CCC(CNC(=O)[C@H]2CCN2C2CCCC2)CC1 ZINC000830985114 624947217 /nfs/dbraw/zinc/94/72/17/624947217.db2.gz KZPRNWRWGYVMAO-MRXNPFEDSA-N 0 1 276.424 2.866 20 30 CFEDMN CC(F)(F)C(=O)N[C@@H](c1cccc(C#N)c1)C(F)(F)F ZINC000831095954 624959875 /nfs/dbraw/zinc/95/98/75/624959875.db2.gz PJORXJQMQKCAOZ-VIFPVBQESA-N 0 1 292.207 2.933 20 30 CFEDMN CCS[C@H](C(=O)Nc1cc(C#N)ccc1O)C(C)C ZINC000179742842 624975582 /nfs/dbraw/zinc/97/55/82/624975582.db2.gz HLLTZKDCJCWCSX-ZDUSSCGKSA-N 0 1 278.377 2.980 20 30 CFEDMN N#Cc1ccc(O)c(NC(=O)CCOc2ccccc2)c1 ZINC000179739646 624975696 /nfs/dbraw/zinc/97/56/96/624975696.db2.gz VMEDZIVSXYHIKQ-UHFFFAOYSA-N 0 1 282.299 2.671 20 30 CFEDMN CN(C)[C@H](C(=O)Nc1cc(C#N)ccc1O)c1ccccc1 ZINC000179740470 624976064 /nfs/dbraw/zinc/97/60/64/624976064.db2.gz XVFXABGVKOJDQJ-INIZCTEOSA-N 0 1 295.342 2.505 20 30 CFEDMN CCc1nn(C)cc1/C=C/C(=O)c1ccc(C)cc1O ZINC000179742567 624976095 /nfs/dbraw/zinc/97/60/95/624976095.db2.gz HMMSGHZCHIFCHC-SOFGYWHQSA-N 0 1 270.332 2.893 20 30 CFEDMN N#Cc1ccc(O)c(NC(=O)[C@@H]2CCC[C@@H]3C[C@@H]32)c1 ZINC000831272158 624981060 /nfs/dbraw/zinc/98/10/60/624981060.db2.gz RQFXCYWKFLCZOD-UTUOFQBUSA-N 0 1 256.305 2.639 20 30 CFEDMN C[C@H]1CN(C(=O)C(C)(C)C)C[C@@H]1NCc1ccccc1C#N ZINC000939584812 625166615 /nfs/dbraw/zinc/16/66/15/625166615.db2.gz HOEXBKJVTQGKCR-BBRMVZONSA-N 0 1 299.418 2.541 20 30 CFEDMN CCCCCCCN1CCC[C@]2(CCS(=O)(=O)C2)C1 ZINC000831914911 625178424 /nfs/dbraw/zinc/17/84/24/625178424.db2.gz AUIXSWZXAASGNS-HNNXBMFYSA-N 0 1 287.469 2.858 20 30 CFEDMN CC(C)C[C@@H](C)CC(=O)[C@H](C#N)C(=O)NC1CCCC1 ZINC000070033850 625258116 /nfs/dbraw/zinc/25/81/16/625258116.db2.gz BETHONLBGCXWKS-OCCSQVGLSA-N 0 1 278.396 2.826 20 30 CFEDMN C=C(Cl)CN[C@@H]1CN(C(=O)[C@H](C)C2CC2)CC1(C)C ZINC000995623241 625745704 /nfs/dbraw/zinc/74/57/04/625745704.db2.gz MVJPUXGRCABKLY-DGCLKSJQSA-N 0 1 284.831 2.612 20 30 CFEDMN C#CCOc1ccccc1CNCc1ccc(O)cc1 ZINC000101600283 625773097 /nfs/dbraw/zinc/77/30/97/625773097.db2.gz MHCCTPNZFVUJEG-UHFFFAOYSA-N 0 1 267.328 2.694 20 30 CFEDMN C=C(Cl)CN[C@@H]1CN(C(=O)C2=CCCC2)CC1(C)C ZINC000995678149 625784584 /nfs/dbraw/zinc/78/45/84/625784584.db2.gz RHXBOPQMGKEGHD-CYBMUJFWSA-N 0 1 282.815 2.676 20 30 CFEDMN COc1cc(F)cc(N=NC2C[C@@H](C)n3ccnc32)c1 ZINC000834961649 625933704 /nfs/dbraw/zinc/93/37/04/625933704.db2.gz PFMXJCZVBZCSNQ-SECBINFHSA-N 0 1 274.299 2.812 20 30 CFEDMN Nc1ccc2c(c1)CCCC2=NO[C@H]1CCCCO1 ZINC000834965852 625936225 /nfs/dbraw/zinc/93/62/25/625936225.db2.gz AMWSAJJKDOUZES-HNNXBMFYSA-N 0 1 260.337 2.852 20 30 CFEDMN COc1cc(F)ccc1N=NC1C[C@H](C)n2ccnc21 ZINC000834978558 625942630 /nfs/dbraw/zinc/94/26/30/625942630.db2.gz VOYSUEWBRCAVJE-VIFPVBQESA-N 0 1 274.299 2.812 20 30 CFEDMN Cc1cc([N+](=O)[O-])ccc1N=NC1C[C@@H](C)n2ccnc21 ZINC000834979685 625943340 /nfs/dbraw/zinc/94/33/40/625943340.db2.gz LXNBUZDSCHMOLL-SNVBAGLBSA-N 0 1 285.307 2.881 20 30 CFEDMN CCN(C)c1ccc(C(C)N=Nc2ccncn2)cc1 ZINC000835001764 625950715 /nfs/dbraw/zinc/95/07/15/625950715.db2.gz JLZIYXGIAYOSMY-UHFFFAOYSA-N 0 1 269.352 2.769 20 30 CFEDMN CC[N@H+]1CCC(N=Nc2ccc(C(=O)[O-])c(F)c2)[C@H](C)C1 ZINC000835009661 625957256 /nfs/dbraw/zinc/95/72/56/625957256.db2.gz AKJFDFWPTHTZJP-SNVBAGLBSA-N 0 1 293.342 2.654 20 30 CFEDMN N#Cc1ccc(CNCc2ccnn2C2CCC2)cc1 ZINC000921544459 625981718 /nfs/dbraw/zinc/98/17/18/625981718.db2.gz RUBXJAVSGYYJHI-UHFFFAOYSA-N 0 1 266.348 2.770 20 30 CFEDMN C[C@@H]1CN(C)CC1N=Nc1cc(Cl)nc(Cl)c1 ZINC000819828488 625984706 /nfs/dbraw/zinc/98/47/06/625984706.db2.gz FPHWIOFZLXBXDE-SSDOTTSWSA-N 0 1 273.167 2.738 20 30 CFEDMN C#CC[N@@H+]1CCC[C@H](N(CC)C(=O)C2CC(C)(C)C2)CC1 ZINC000998005509 626027133 /nfs/dbraw/zinc/02/71/33/626027133.db2.gz PLWYVDCJHHBFJB-INIZCTEOSA-N 0 1 290.451 2.759 20 30 CFEDMN C=C(Cl)CN[C@@H]1CCCN(C(=O)C[C@@H]2C=CCC2)C1 ZINC000998494126 626053400 /nfs/dbraw/zinc/05/34/00/626053400.db2.gz HIILNXRHPVNXPP-ZIAGYGMSSA-N 0 1 282.815 2.676 20 30 CFEDMN C=C(Cl)CN[C@H]1CCCN(C(=O)CCc2ccoc2)C1 ZINC000998873980 626063190 /nfs/dbraw/zinc/06/31/90/626063190.db2.gz POIRFQPJXSUBOE-AWEZNQCLSA-N 0 1 296.798 2.545 20 30 CFEDMN C=C(Cl)CN[C@@H]1CCCN(C(=O)c2c(C)coc2C)C1 ZINC000999072839 626065274 /nfs/dbraw/zinc/06/52/74/626065274.db2.gz NHMCTENVHMXCGM-CYBMUJFWSA-N 0 1 296.798 2.843 20 30 CFEDMN C=C(Cl)CN[C@H]1CCCN(C(=O)c2coc(C)c2)C1 ZINC000999006190 626065463 /nfs/dbraw/zinc/06/54/63/626065463.db2.gz UIOOECXZKARDME-ZDUSSCGKSA-N 0 1 282.771 2.535 20 30 CFEDMN C=C(Cl)CN[C@@H]1CCCN(C(=O)c2ccoc2CC)C1 ZINC000999062461 626065750 /nfs/dbraw/zinc/06/57/50/626065750.db2.gz FNTSQELDQBVDDR-GFCCVEGCSA-N 0 1 296.798 2.789 20 30 CFEDMN C=C(Cl)CN[C@H]1CCCN(C(=O)c2ccc(CC)o2)C1 ZINC000999517648 626075171 /nfs/dbraw/zinc/07/51/71/626075171.db2.gz BFWYUFACQWXMLA-LBPRGKRZSA-N 0 1 296.798 2.789 20 30 CFEDMN C=C(Cl)CN[C@H]1CCCN(C(=O)C(C)(C)C(=C)C)C1 ZINC000999876574 626083045 /nfs/dbraw/zinc/08/30/45/626083045.db2.gz OTBZPMQGDJYMGG-ZDUSSCGKSA-N 0 1 284.831 2.922 20 30 CFEDMN C=C(Cl)CN[C@@H]1CCCN(C(=O)[C@@]2(C)C=CCC2)C1 ZINC000999914438 626083878 /nfs/dbraw/zinc/08/38/78/626083878.db2.gz OCXSCVYNFOWRCU-HIFRSBDPSA-N 0 1 282.815 2.676 20 30 CFEDMN N#Cc1cc(CN[C@H](CCO)c2ccccc2)cs1 ZINC000921772886 626116986 /nfs/dbraw/zinc/11/69/86/626116986.db2.gz UJDNNVOOALTAQG-OAHLLOKOSA-N 0 1 272.373 2.833 20 30 CFEDMN C#CCN1CC=C(CNC(=O)C2CCCCCCC2)CC1 ZINC001000940750 626135578 /nfs/dbraw/zinc/13/55/78/626135578.db2.gz TUQCSRJXJFHLRR-UHFFFAOYSA-N 0 1 288.435 2.728 20 30 CFEDMN C=C(Br)C[N@H+](CC1CC1)[C@@](C)(CC)C(=O)[O-] ZINC000851707083 634479893 /nfs/dbraw/zinc/47/98/93/634479893.db2.gz RRNXVKPEMYFMEW-LBPRGKRZSA-N 0 1 290.201 2.860 20 30 CFEDMN C=CC[N@@H+]1CC=C(CNC(=O)C2C[C@H](C)C[C@@H](C)C2)CC1 ZINC001001485931 626159221 /nfs/dbraw/zinc/15/92/21/626159221.db2.gz IKGBUMUFAHYPCJ-HUUCEWRRSA-N 0 1 290.451 2.993 20 30 CFEDMN Cc1cc(C#N)cc(C)c1CNCc1cccc(N(C)C)n1 ZINC000921932174 626179881 /nfs/dbraw/zinc/17/98/81/626179881.db2.gz NVWBHWABZIPAFF-UHFFFAOYSA-N 0 1 294.402 2.926 20 30 CFEDMN C#CCOCCN(CC)Cc1ccc(Cl)s1 ZINC000851715123 634484350 /nfs/dbraw/zinc/48/43/50/634484350.db2.gz XLMHETJIWLKRQS-UHFFFAOYSA-N 0 1 257.786 2.873 20 30 CFEDMN Cn1nc2c(c1CN[C@H]1CCc3cc(C#N)ccc31)CCC2 ZINC000922074185 626203800 /nfs/dbraw/zinc/20/38/00/626203800.db2.gz YLILPABTLWPMQQ-INIZCTEOSA-N 0 1 292.386 2.558 20 30 CFEDMN C#CCOCCN(C)Cc1ccccc1OC(F)(F)F ZINC000851715748 634485131 /nfs/dbraw/zinc/48/51/31/634485131.db2.gz AJQLAQNSXUSRCQ-UHFFFAOYSA-N 0 1 287.281 2.667 20 30 CFEDMN CC#CCN1CCC(NC(=O)C(C)(C)C2CCCC2)CC1 ZINC001003036290 626215830 /nfs/dbraw/zinc/21/58/30/626215830.db2.gz AULIGXZLJQSMCQ-UHFFFAOYSA-N 0 1 290.451 2.807 20 30 CFEDMN C=CCN1CC[C@H](NC(=O)c2ccc(-c3ccccc3)[nH]2)C1 ZINC001016397271 626233646 /nfs/dbraw/zinc/23/36/46/626233646.db2.gz WPHYOAWBSOTSSJ-HNNXBMFYSA-N 0 1 295.386 2.672 20 30 CFEDMN CCn1nccc1CNCc1c(C)cc(C#N)cc1C ZINC000922268899 626256615 /nfs/dbraw/zinc/25/66/15/626256615.db2.gz JLDWNZFODDFGFI-UHFFFAOYSA-N 0 1 268.364 2.681 20 30 CFEDMN CC#CCN1CCC(NC(=O)C23CCC(CC2)CC3)CC1 ZINC001004192948 626303440 /nfs/dbraw/zinc/30/34/40/626303440.db2.gz MSWBBSNSOWLDEO-UHFFFAOYSA-N 0 1 288.435 2.561 20 30 CFEDMN CC#CCN1CCC(NC(=O)c2sccc2CC)CC1 ZINC001004202621 626304087 /nfs/dbraw/zinc/30/40/87/626304087.db2.gz FFSSXWIIQKYERQ-UHFFFAOYSA-N 0 1 290.432 2.528 20 30 CFEDMN CCn1nc(C)c(CNC(C)(C)Cc2ccc(C#N)cc2)n1 ZINC000922604847 626323479 /nfs/dbraw/zinc/32/34/79/626323479.db2.gz ZGHNJSPPCAIZLR-UHFFFAOYSA-N 0 1 297.406 2.589 20 30 CFEDMN N#Cc1ccc(CNC[C@@H]2CCCC3(CCC3)O2)o1 ZINC000922814228 626369273 /nfs/dbraw/zinc/36/92/73/626369273.db2.gz UIZFCYRYXMSNKP-AWEZNQCLSA-N 0 1 260.337 2.733 20 30 CFEDMN CC(C)C(=O)N(C)C1CCN(Cc2cccc(C#N)c2)CC1 ZINC001005122292 626412044 /nfs/dbraw/zinc/41/20/44/626412044.db2.gz JJRJAWFXIOEELY-UHFFFAOYSA-N 0 1 299.418 2.637 20 30 CFEDMN C#CCN1CCC(N(C)C(=O)[C@@H]2C[C@H]2CC(C)(C)C)CC1 ZINC001005406900 626414849 /nfs/dbraw/zinc/41/48/49/626414849.db2.gz KMZSYPRXKCTIQB-GOEBONIOSA-N 0 1 290.451 2.615 20 30 CFEDMN C#CCN1CCC(N(C)C(=O)[C@H]2CCC(C)=C(C)C2)CC1 ZINC001005447333 626415333 /nfs/dbraw/zinc/41/53/33/626415333.db2.gz INLRIVOOLPAVBU-INIZCTEOSA-N 0 1 288.435 2.679 20 30 CFEDMN C#CCC1(NCc2cn(C(C)(C)C)nn2)CCCCC1 ZINC000922981621 626438745 /nfs/dbraw/zinc/43/87/45/626438745.db2.gz RDYPUWLEOMHYTQ-UHFFFAOYSA-N 0 1 274.412 2.849 20 30 CFEDMN C#CCC1(NCc2cn(CCC=C)nn2)CCCCC1 ZINC000922982089 626439460 /nfs/dbraw/zinc/43/94/60/626439460.db2.gz VXDMVDKPLRPNTQ-UHFFFAOYSA-N 0 1 272.396 2.670 20 30 CFEDMN N#Cc1ccc(CN[C@H]2c3ccccc3CC[C@H]2O)cc1F ZINC000922989767 626440432 /nfs/dbraw/zinc/44/04/32/626440432.db2.gz ZRTIRSKSUIBVAK-MSOLQXFVSA-N 0 1 296.345 2.835 20 30 CFEDMN CC#CCN1CCC(N(C)C(=O)C[C@H]2CC[C@@H](C)C2)CC1 ZINC001005853719 626440601 /nfs/dbraw/zinc/44/06/01/626440601.db2.gz WWBKCZXVMVJEAP-CVEARBPZSA-N 0 1 290.451 2.759 20 30 CFEDMN C=CC[C@H]1CC[C@@H](NCc2noc3c2COCC3)C1 ZINC000923016013 626442458 /nfs/dbraw/zinc/44/24/58/626442458.db2.gz VFDYAATXOWURLJ-NWDGAFQWSA-N 0 1 262.353 2.582 20 30 CFEDMN C=CC[C@H]1CC[C@H](NCc2noc3c2COCC3)C1 ZINC000923016015 626442609 /nfs/dbraw/zinc/44/26/09/626442609.db2.gz VFDYAATXOWURLJ-RYUDHWBXSA-N 0 1 262.353 2.582 20 30 CFEDMN CC[C@]1(C(=O)[O-])CCC[N@@H+](Cc2ccc(C)c(C#N)c2)C1 ZINC000923471279 626474983 /nfs/dbraw/zinc/47/49/83/626474983.db2.gz LHDCFKQBYUGNES-KRWDZBQOSA-N 0 1 286.375 2.944 20 30 CFEDMN C#CCN1CCC(N(C)C(=O)[C@@H]2C[C@]2(CC)C(C)C)CC1 ZINC001006213398 626480532 /nfs/dbraw/zinc/48/05/32/626480532.db2.gz ZVOKRFVLFAIZIO-FUHWJXTLSA-N 0 1 290.451 2.615 20 30 CFEDMN CCCCCCNC(=O)C(C#N)C(=O)[C@H](C)C1CCC1 ZINC000838788798 626506889 /nfs/dbraw/zinc/50/68/89/626506889.db2.gz VYRJZNMQLUWLAU-TZMCWYRMSA-N 0 1 278.396 2.828 20 30 CFEDMN N#C[C@H]1CCC[C@H](OC(=O)c2ccc(-c3nnc[nH]3)cc2)C1 ZINC000839049263 626521551 /nfs/dbraw/zinc/52/15/51/626521551.db2.gz FUQYENJXFPCKOP-FZMZJTMJSA-N 0 1 296.330 2.711 20 30 CFEDMN C#CCOc1ccccc1CN1CC2(CC(F)C2)C1 ZINC000839141637 626528495 /nfs/dbraw/zinc/52/84/95/626528495.db2.gz UPPDJAJAPWJAAK-UHFFFAOYSA-N 0 1 259.324 2.633 20 30 CFEDMN N#Cc1ccc(O)c(NC(=O)[C@]23C[C@H]2CCCC3)c1 ZINC000867012377 626536864 /nfs/dbraw/zinc/53/68/64/626536864.db2.gz GBBLRPGGUNYOME-IAQYHMDHSA-N 0 1 256.305 2.783 20 30 CFEDMN C[C@@H](CCC#N)N1CCC[C@H](NC(=O)OC(C)(C)C)C1 ZINC000839468499 626537443 /nfs/dbraw/zinc/53/74/43/626537443.db2.gz AMGFYBVNUYUGFX-STQMWFEESA-N 0 1 281.400 2.668 20 30 CFEDMN CC(C)(C(=O)Nc1cc(C#N)ccc1O)[C@H]1CCCCO1 ZINC000867013739 626539988 /nfs/dbraw/zinc/53/99/88/626539988.db2.gz VTIXDTBPBYHBKE-CQSZACIVSA-N 0 1 288.347 2.798 20 30 CFEDMN CC[C@@H]1CC[C@@H](C(=O)C(C#N)c2nc(C)cs2)O1 ZINC000757295293 626547567 /nfs/dbraw/zinc/54/75/67/626547567.db2.gz LHHBBMBVXRCOMK-MXWKQRLJSA-N 0 1 264.350 2.585 20 30 CFEDMN COc1cc(C(C)=NNc2ccc(C)cn2)ccc1O ZINC000757460314 626552646 /nfs/dbraw/zinc/55/26/46/626552646.db2.gz DAAUEPZXKFSSOI-UHFFFAOYSA-N 0 1 271.320 2.940 20 30 CFEDMN COC(=O)c1cc(/C=C\C(=O)c2cc(F)ccc2O)c[nH]1 ZINC000757468948 626552875 /nfs/dbraw/zinc/55/28/75/626552875.db2.gz WFGPQHJFGHBJSU-RQOWECAXSA-N 0 1 289.262 2.542 20 30 CFEDMN Cn1cc(/C=C\C(=O)c2ccc3ccccc3c2O)nn1 ZINC000757471313 626553013 /nfs/dbraw/zinc/55/30/13/626553013.db2.gz AVBWCVDATCAMQE-CLFYSBASSA-N 0 1 279.299 2.570 20 30 CFEDMN Cc1ccc(N=NC2C[C@@H](C)N(Cc3ccccc3)C2)nn1 ZINC000757574315 626555691 /nfs/dbraw/zinc/55/56/91/626555691.db2.gz IYASXRNJVGCHPM-CQSZACIVSA-N 0 1 295.390 2.847 20 30 CFEDMN N#Cc1ccc(F)c(COC(=O)[C@H]2CCCc3[nH]ncc32)c1 ZINC000757903861 626567404 /nfs/dbraw/zinc/56/74/04/626567404.db2.gz WDTHAPXNMUBCDF-LBPRGKRZSA-N 0 1 299.305 2.584 20 30 CFEDMN CC(=NNC1CC1)c1[nH]c(-c2ccccc2)nc1C ZINC000758128305 626578057 /nfs/dbraw/zinc/57/80/57/626578057.db2.gz WVQOYNUPTGTETP-UHFFFAOYSA-N 0 1 254.337 2.861 20 30 CFEDMN Cc1ccn(CN2CCC[C@H]2C2CCCC2)c(=O)c1C#N ZINC000758199663 626581849 /nfs/dbraw/zinc/58/18/49/626581849.db2.gz RYMYARGULZZEEO-INIZCTEOSA-N 0 1 285.391 2.641 20 30 CFEDMN Cc1ccn(CN2CCC[C@@H]2CC(C)(C)C)c(=O)c1C#N ZINC000758203229 626581970 /nfs/dbraw/zinc/58/19/70/626581970.db2.gz LGUIQGYFWBZOJU-CQSZACIVSA-N 0 1 287.407 2.887 20 30 CFEDMN N#Cc1cccn(CN(CC2CCCCC2)C2CC2)c1=O ZINC000758202406 626582003 /nfs/dbraw/zinc/58/20/03/626582003.db2.gz HOCDSMYXANVRIQ-UHFFFAOYSA-N 0 1 285.391 2.722 20 30 CFEDMN C[C@@H]1C[C@@H](c2ccccc2)CN1Cn1cccc(C#N)c1=O ZINC000758221155 626583467 /nfs/dbraw/zinc/58/34/67/626583467.db2.gz FHCJQZHPAARGHU-RHSMWYFYSA-N 0 1 293.370 2.555 20 30 CFEDMN CCC[C@@H]1[C@H](C)CCCN1Cn1ccc(C)c(C#N)c1=O ZINC000758232353 626584071 /nfs/dbraw/zinc/58/40/71/626584071.db2.gz QFNSTZADDNPSQI-GDBMZVCRSA-N 0 1 287.407 2.887 20 30 CFEDMN C(=NNC1CCCC1)c1ccc(N2CCCC2)nc1 ZINC000758369430 626590195 /nfs/dbraw/zinc/59/01/95/626590195.db2.gz GFGAFVULFHFTHI-UHFFFAOYSA-N 0 1 258.369 2.548 20 30 CFEDMN C[C@H]1CN(Cc2ccccc2)CC1=NOCC(F)F ZINC000758905005 626616613 /nfs/dbraw/zinc/61/66/13/626616613.db2.gz ZIDPFYAPQOSVLR-NSHDSACASA-N 0 1 268.307 2.776 20 30 CFEDMN C#CCN1CCC[C@@H]1COC(=O)C[C@@H](C=C)c1ccccc1 ZINC000759323736 626644857 /nfs/dbraw/zinc/64/48/57/626644857.db2.gz JAYRVLKZYCOITP-SJLPKXTDSA-N 0 1 297.398 2.987 20 30 CFEDMN COc1cccc2c1CCC2N=Nc1ccncc1Cl ZINC000759665424 626681039 /nfs/dbraw/zinc/68/10/39/626681039.db2.gz FRWRGCSZBGHUMJ-UHFFFAOYSA-N 0 1 287.750 2.928 20 30 CFEDMN COc1cccc2c1CCC2=NNc1ccc(F)cn1 ZINC000759664849 626681526 /nfs/dbraw/zinc/68/15/26/626681526.db2.gz DTFKARIOWMCWDI-UHFFFAOYSA-N 0 1 271.295 2.992 20 30 CFEDMN COc1ccc(NC(=O)C(C#N)C(=O)[C@H]2CC23CCC3)cc1 ZINC000759835781 626694686 /nfs/dbraw/zinc/69/46/86/626694686.db2.gz VQDLOQWMFCSNCV-ZIAGYGMSSA-N 0 1 298.342 2.533 20 30 CFEDMN C=C(C)[C@H]1CC=C(COC(=O)CCc2nc[nH]n2)CC1 ZINC000759850776 626696973 /nfs/dbraw/zinc/69/69/73/626696973.db2.gz PCVCWMLUUZEWPN-ZDUSSCGKSA-N 0 1 275.352 2.583 20 30 CFEDMN CCCCCCCN1CCN(c2ncc(F)cn2)CC1 ZINC000759917597 626701711 /nfs/dbraw/zinc/70/17/11/626701711.db2.gz INXJCMAJTYAZGN-UHFFFAOYSA-N 0 1 280.391 2.708 20 30 CFEDMN N#CC(C(=O)CCCc1ccccc1)c1ccncn1 ZINC000760338056 626736057 /nfs/dbraw/zinc/73/60/57/626736057.db2.gz DBLYYPHNNPNAEZ-AWEZNQCLSA-N 0 1 265.316 2.676 20 30 CFEDMN CC(C)(Oc1ccc(F)cc1)C(=O)C(C#N)c1ccncn1 ZINC000760339418 626736199 /nfs/dbraw/zinc/73/61/99/626736199.db2.gz JSRMGYIWRLMYRI-CYBMUJFWSA-N 0 1 299.305 2.650 20 30 CFEDMN N#CC(C(=O)CCCOc1ccccc1F)c1ccncn1 ZINC000760338046 626736221 /nfs/dbraw/zinc/73/62/21/626736221.db2.gz CZPVONOOIJZNTJ-GFCCVEGCSA-N 0 1 299.305 2.651 20 30 CFEDMN N#CC(C(=O)CCCc1ccsc1)c1ccncn1 ZINC000760337689 626736339 /nfs/dbraw/zinc/73/63/39/626736339.db2.gz BAHXFHPRRBTFQA-LBPRGKRZSA-N 0 1 271.345 2.737 20 30 CFEDMN N#CC(C(=O)CCc1ccc(F)cc1F)c1ccncn1 ZINC000760341013 626737056 /nfs/dbraw/zinc/73/70/56/626737056.db2.gz PXQPPVMETCZPHG-LBPRGKRZSA-N 0 1 287.269 2.564 20 30 CFEDMN N#C[C@H](C(=O)[C@H]1C[C@@H]1c1ccc(F)cc1)c1ccncn1 ZINC000760353555 626738407 /nfs/dbraw/zinc/73/84/07/626738407.db2.gz QHRJGORKAQKCRU-RDBSUJKOSA-N 0 1 281.290 2.596 20 30 CFEDMN N#C[C@H](C(=O)[C@H]1C[C@@H]1c1c(F)cccc1F)c1ccncn1 ZINC000760355738 626739206 /nfs/dbraw/zinc/73/92/06/626739206.db2.gz ZVZSRPFNIBZVHD-DCAQKATOSA-N 0 1 299.280 2.735 20 30 CFEDMN N#CC(C(=O)CCCOc1ccccc1)c1ccncn1 ZINC000760360496 626739958 /nfs/dbraw/zinc/73/99/58/626739958.db2.gz ZJSWTDBFGVEEHP-AWEZNQCLSA-N 0 1 281.315 2.512 20 30 CFEDMN C#CCCCC(=O)Nc1ccc(CN(C)C)c(F)c1 ZINC000760412681 626743310 /nfs/dbraw/zinc/74/33/10/626743310.db2.gz RSDPPSPWXXMNHX-UHFFFAOYSA-N 0 1 262.328 2.629 20 30 CFEDMN C[C@@H]1CC(N=Nc2ccc(C(F)(F)F)cn2)CN1C ZINC000761801199 626859424 /nfs/dbraw/zinc/85/94/24/626859424.db2.gz LCAFCENCLDNGBE-MRVPVSSYSA-N 0 1 272.274 2.592 20 30 CFEDMN Cc1cc(Br)ccc1CN=Nc1cnn(C)c1 ZINC000761865609 626865924 /nfs/dbraw/zinc/86/59/24/626865924.db2.gz AJFVWSWUYIDTLS-UHFFFAOYSA-N 0 1 293.168 2.937 20 30 CFEDMN C#CCCc1noc(-c2cc(-c3ccc(C)o3)n[nH]2)n1 ZINC000762010869 626880197 /nfs/dbraw/zinc/88/01/97/626880197.db2.gz CFGZSFCYDPHTTQ-UHFFFAOYSA-N 0 1 268.276 2.594 20 30 CFEDMN CCC(CC)[C@H](C)C(=O)C(C#N)C(=O)NC1CCCC1 ZINC000762039882 626883089 /nfs/dbraw/zinc/88/30/89/626883089.db2.gz SIHDUIKDJCYKNA-FZMZJTMJSA-N 0 1 278.396 2.826 20 30 CFEDMN Cn1c2ccccc2nc1C(C#N)C(=O)[C@@H]1CCSC1 ZINC000762063420 626885479 /nfs/dbraw/zinc/88/54/79/626885479.db2.gz DJZSMYMLFNOXNE-GHMZBOCLSA-N 0 1 285.372 2.503 20 30 CFEDMN Cc1cc(C(C#N)C(=O)CC2CCSCC2)nc(C)n1 ZINC000762064302 626885593 /nfs/dbraw/zinc/88/55/93/626885593.db2.gz GXJDRIZVFYKQCA-CYBMUJFWSA-N 0 1 289.404 2.803 20 30 CFEDMN Cc1cccc2nc([C@H](C#N)C(=O)[C@@H]3CCSC3)[nH]c21 ZINC000762088980 626889093 /nfs/dbraw/zinc/88/90/93/626889093.db2.gz VAXBPPNELSDQOC-GHMZBOCLSA-N 0 1 285.372 2.801 20 30 CFEDMN N#Cc1ccc(O)c(NC(=O)C2Cc3ccccc3C2)c1 ZINC000762192677 626902762 /nfs/dbraw/zinc/90/27/62/626902762.db2.gz UPRZIYWCAFSBTC-UHFFFAOYSA-N 0 1 278.311 2.617 20 30 CFEDMN COC(CCN1CCC[C@@H]1[C@H](C#N)c1ccccc1)OC ZINC000851793452 634533825 /nfs/dbraw/zinc/53/38/25/634533825.db2.gz DQXJYCIDNCWYFJ-HZPDHXFCSA-N 0 1 288.391 2.767 20 30 CFEDMN C[C@@H]1CC(=NC(=O)c2cc3c(s2)CCCCC3)NO1 ZINC000763258108 626973746 /nfs/dbraw/zinc/97/37/46/626973746.db2.gz GPPKSKITFSULTJ-SECBINFHSA-N 0 1 278.377 2.869 20 30 CFEDMN C[C@@H]1N(Cc2ccc(OCC#N)cc2)CCOC1(C)C ZINC000763415164 626987149 /nfs/dbraw/zinc/98/71/49/626987149.db2.gz DWJZYKPEPNDENE-ZDUSSCGKSA-N 0 1 274.364 2.588 20 30 CFEDMN C#CCNC(=O)[C@@H](C)N(CC)Cc1ccc2ccccc2c1 ZINC000764201325 627044127 /nfs/dbraw/zinc/04/41/27/627044127.db2.gz OEIIUAPMOIGWHE-OAHLLOKOSA-N 0 1 294.398 2.800 20 30 CFEDMN C#CC[N@H+](Cc1cc(Cl)cc(F)c1[O-])C1CC1 ZINC000764677050 627082898 /nfs/dbraw/zinc/08/28/98/627082898.db2.gz RKKBRCUALDBMBA-UHFFFAOYSA-N 0 1 253.704 2.782 20 30 CFEDMN COc1ccsc1C=NNc1cc(C)nc(C)n1 ZINC000764682247 627083950 /nfs/dbraw/zinc/08/39/50/627083950.db2.gz KAEYRUKZCWBJOZ-UHFFFAOYSA-N 0 1 262.338 2.610 20 30 CFEDMN Cc1cccc(CNN=Cc2cc(O)ccc2[N+](=O)[O-])c1 ZINC000764714436 627086939 /nfs/dbraw/zinc/08/69/39/627086939.db2.gz HQWZRIIZVLIVRJ-UHFFFAOYSA-N 0 1 285.303 2.733 20 30 CFEDMN CC(C)COc1ccccc1C(=O)NC1=NO[C@H](C)C1 ZINC000765370335 627132854 /nfs/dbraw/zinc/13/28/54/627132854.db2.gz VUCMMPHPFKYRKF-LLVKDONJSA-N 0 1 276.336 2.574 20 30 CFEDMN c1ccc2sc(N=NC3CCN4CCC[C@H]34)nc2c1 ZINC000765543199 627146252 /nfs/dbraw/zinc/14/62/52/627146252.db2.gz OBMMDWRULPJKFW-GFCCVEGCSA-N 0 1 272.377 2.932 20 30 CFEDMN c1ccc2ncc(CNN=C3CCN4CCC[C@H]34)cc2c1 ZINC000765583416 627148756 /nfs/dbraw/zinc/14/87/56/627148756.db2.gz HSNJRYOMKVIFPQ-QGZVFWFLSA-N 0 1 280.375 2.549 20 30 CFEDMN Clc1ccc(CNN=C2CCN3CCC[C@@H]23)cc1 ZINC000765584628 627149045 /nfs/dbraw/zinc/14/90/45/627149045.db2.gz SQGOSOWYHUOJFL-AWEZNQCLSA-N 0 1 263.772 2.654 20 30 CFEDMN C#C[C@@H](C)NC(=O)NCc1cc(Cl)cc(Cl)c1O ZINC000805308755 627151135 /nfs/dbraw/zinc/15/11/35/627151135.db2.gz JMIYZKCRGWYZGG-SSDOTTSWSA-N 0 1 287.146 2.520 20 30 CFEDMN CC[C@@H](C)C[N@@H+](CC)Cn1cc2c(c(C#N)c1=O)CCC2 ZINC000766636373 627212372 /nfs/dbraw/zinc/21/23/72/627212372.db2.gz FZORROPOPOQDCF-CYBMUJFWSA-N 0 1 287.407 2.534 20 30 CFEDMN CC[C@@H](C)CN(CC)Cn1cc2c(c(C#N)c1=O)CCC2 ZINC000766636373 627212373 /nfs/dbraw/zinc/21/23/73/627212373.db2.gz FZORROPOPOQDCF-CYBMUJFWSA-N 0 1 287.407 2.534 20 30 CFEDMN C[C@@H]1CCC(=NNCCN2CCCCC2)C[C@H]1C ZINC000767370382 627246100 /nfs/dbraw/zinc/24/61/00/627246100.db2.gz FINNBXYLSCXGEK-ZIAGYGMSSA-N 0 1 251.418 2.874 20 30 CFEDMN C[C@H]1CC(N=Nc2cccnn2)CN(Cc2ccccc2)C1 ZINC000767378432 627246765 /nfs/dbraw/zinc/24/67/65/627246765.db2.gz GRKPOVTUSYFAHH-AWEZNQCLSA-N 0 1 295.390 2.787 20 30 CFEDMN C#C[C@@H](NCc1ccc(C)c(Cl)c1)[C@H]1CCCO1 ZINC000767684957 627274631 /nfs/dbraw/zinc/27/46/31/627274631.db2.gz REKAMPYIDVGJBS-HUUCEWRRSA-N 0 1 263.768 2.919 20 30 CFEDMN CO[C@@H](CNCc1ccc(C#N)c(C)c1)C(F)(F)F ZINC000767691616 627275548 /nfs/dbraw/zinc/27/55/48/627275548.db2.gz SCMGFKREGFVLQH-LBPRGKRZSA-N 0 1 272.270 2.534 20 30 CFEDMN Fc1cc(F)c(C=NNCCN2CCCCC2)cc1F ZINC000767777753 627284765 /nfs/dbraw/zinc/28/47/65/627284765.db2.gz YKIWTAFQGHEORC-UHFFFAOYSA-N 0 1 285.313 2.513 20 30 CFEDMN COc1ccc(N=NCc2csc(C)n2)c([N+](=O)[O-])c1 ZINC000767800805 627286578 /nfs/dbraw/zinc/28/65/78/627286578.db2.gz COYLPITZWKGZSI-UHFFFAOYSA-N 0 1 292.320 2.814 20 30 CFEDMN Cc1cc(C=Nn2c(=O)c3ccccc3[nH]c2=S)c(C)o1 ZINC000767900817 627292935 /nfs/dbraw/zinc/29/29/35/627292935.db2.gz YLIVFRZBCARVHS-UHFFFAOYSA-N 0 1 299.355 2.777 20 30 CFEDMN N#Cc1cc(Cl)nc(NN=Cc2cnn3ccccc23)c1 ZINC000768380467 627338644 /nfs/dbraw/zinc/33/86/44/627338644.db2.gz PFCOZCXPDLOMKF-UHFFFAOYSA-N 0 1 296.721 2.700 20 30 CFEDMN O=C1CCCN1N=Cc1cc(Cl)c(O)cc1Cl ZINC000769590591 627459031 /nfs/dbraw/zinc/45/90/31/627459031.db2.gz WLABJJGAJFEFAV-UHFFFAOYSA-N 0 1 273.119 2.655 20 30 CFEDMN Brc1cc(N=NCc2cc[nH]c2)ccn1 ZINC000769801239 627476032 /nfs/dbraw/zinc/47/60/32/627476032.db2.gz JYYKISQXLZJUDA-UHFFFAOYSA-N 0 1 265.114 2.618 20 30 CFEDMN N#Cc1ccc(CNN=Cc2cc(F)c(O)c(F)c2)cc1 ZINC000769816941 627477651 /nfs/dbraw/zinc/47/76/51/627477651.db2.gz YETDJDRVKBGBKX-UHFFFAOYSA-N 0 1 287.269 2.666 20 30 CFEDMN C[N@@H+](CCOCC1CCC1)Cc1cc(C#N)cs1 ZINC000770293551 627510912 /nfs/dbraw/zinc/51/09/12/627510912.db2.gz QHEKNJZVKSXISU-UHFFFAOYSA-N 0 1 264.394 2.868 20 30 CFEDMN CN(CCOCC1CCC1)Cc1cc(C#N)cs1 ZINC000770293551 627510926 /nfs/dbraw/zinc/51/09/26/627510926.db2.gz QHEKNJZVKSXISU-UHFFFAOYSA-N 0 1 264.394 2.868 20 30 CFEDMN C(=NNc1cnnc2ccccc21)c1cccc2nccn21 ZINC000771101842 627577429 /nfs/dbraw/zinc/57/74/29/627577429.db2.gz XYGVIFQRPVFWCN-UHFFFAOYSA-N 0 1 288.314 2.724 20 30 CFEDMN CCC(=NN[C@H](C)CC#N)c1ccc(N(C)C)cc1 ZINC000771882066 627641960 /nfs/dbraw/zinc/64/19/60/627641960.db2.gz WJSVJYNKIGJLEY-GFCCVEGCSA-N 0 1 258.369 2.758 20 30 CFEDMN CCN(C)c1ccc(C(C)=NN[C@H](C)CC#N)cc1 ZINC000771885013 627642166 /nfs/dbraw/zinc/64/21/66/627642166.db2.gz KEFOMIQOGJKZCK-GFCCVEGCSA-N 0 1 258.369 2.758 20 30 CFEDMN C#CCCNC(=O)Nc1ccc2nc(C(F)F)[nH]c2c1 ZINC000772430609 627709024 /nfs/dbraw/zinc/70/90/24/627709024.db2.gz ZYSFCXLCAAJLJO-UHFFFAOYSA-N 0 1 278.262 2.645 20 30 CFEDMN Cc1ncsc1C(=O)/C=C/c1cc(O)ccc1[N+](=O)[O-] ZINC000772807643 627747290 /nfs/dbraw/zinc/74/72/90/627747290.db2.gz RNTMDMXBEMNVPF-GORDUTHDSA-N 0 1 290.300 2.961 20 30 CFEDMN C[C@@H](O)c1ncc(C=NNc2c(F)cccc2F)s1 ZINC000773054460 627775301 /nfs/dbraw/zinc/77/53/01/627775301.db2.gz QWXYTYKXBKNORG-SSDOTTSWSA-N 0 1 283.303 2.921 20 30 CFEDMN COc1ccc(CN[C@H](C)c2cncc(F)c2)cc1C#N ZINC000773079085 627779698 /nfs/dbraw/zinc/77/96/98/627779698.db2.gz WPSBNQXRPLAGBB-LLVKDONJSA-N 0 1 285.322 2.952 20 30 CFEDMN C#C[C@H](Cc1ccccc1)OC(=O)c1[nH]nc2c1CCCC2 ZINC000773828034 627861731 /nfs/dbraw/zinc/86/17/31/627861731.db2.gz QFWVDTMVRFFPGS-CQSZACIVSA-N 0 1 294.354 2.690 20 30 CFEDMN CCCCCNC(=O)[C@@H](C#N)C(=O)[C@H]1CCCC1(C)C ZINC000773967606 627874514 /nfs/dbraw/zinc/87/45/14/627874514.db2.gz AJLFLXXOHCWKNT-QWHCGFSZSA-N 0 1 278.396 2.828 20 30 CFEDMN N#C[C@@H]1CCC[C@@H](NCC(=O)Nc2ccc(F)c(F)c2)C1 ZINC000774118760 627890282 /nfs/dbraw/zinc/89/02/82/627890282.db2.gz NDIVKUROWAYXEW-GHMZBOCLSA-N 0 1 293.317 2.575 20 30 CFEDMN C#C[C@H](N[C@@H](CC)c1ccc(C#N)cc1)[C@@H]1CCCO1 ZINC000774358611 627918458 /nfs/dbraw/zinc/91/84/58/627918458.db2.gz HVBGBKHMWUTDEI-ULQDDVLXSA-N 0 1 268.360 2.780 20 30 CFEDMN C#C[C@H](NCc1ccc(Br)cc1)[C@@H]1CCCO1 ZINC000775339430 628011375 /nfs/dbraw/zinc/01/13/75/628011375.db2.gz BTZFSESBDWOCPI-KBPBESRZSA-N 0 1 294.192 2.720 20 30 CFEDMN C#C[C@H](NCc1cccc(Br)c1)[C@@H]1CCCO1 ZINC000775342415 628012481 /nfs/dbraw/zinc/01/24/81/628012481.db2.gz QYJGFOYJRHBDCV-KBPBESRZSA-N 0 1 294.192 2.720 20 30 CFEDMN C#C[C@@H](NCc1cnc2ccccc2c1)[C@H]1CCCO1 ZINC000775343343 628012859 /nfs/dbraw/zinc/01/28/59/628012859.db2.gz WEHDWOWEZBTROQ-NVXWUHKLSA-N 0 1 266.344 2.505 20 30 CFEDMN C#C[C@@H](NCc1ccc(OC(F)F)c(F)c1)[C@H]1CCCO1 ZINC000775343889 628013306 /nfs/dbraw/zinc/01/33/06/628013306.db2.gz ZGQIPTSQXJOQDB-TZMCWYRMSA-N 0 1 299.292 2.698 20 30 CFEDMN C#C[C@@H](NCc1ccc(OC(F)F)cc1)[C@@H]1CCCO1 ZINC000775347094 628013888 /nfs/dbraw/zinc/01/38/88/628013888.db2.gz XEMGUODYNTZQMJ-KGLIPLIRSA-N 0 1 281.302 2.558 20 30 CFEDMN C#C[C@H](NCc1ccc(OCC(F)F)cc1)[C@H]1CCCO1 ZINC000775350264 628014095 /nfs/dbraw/zinc/01/40/95/628014095.db2.gz OJWSLZWNHBUVOS-LSDHHAIUSA-N 0 1 295.329 2.601 20 30 CFEDMN C#C[C@@H](NCc1ccc(N2CCCCC2)cc1)[C@@H]1CCCO1 ZINC000775346622 628014529 /nfs/dbraw/zinc/01/45/29/628014529.db2.gz WCYBAMMHKGMHNS-MOPGFXCFSA-N 0 1 298.430 2.947 20 30 CFEDMN C#C[C@H](N[C@H]1CCCc2nc(CC)sc21)[C@H]1CCCO1 ZINC000775572014 628040965 /nfs/dbraw/zinc/04/09/65/628040965.db2.gz NUYDVMZCBXIVIQ-SGMGOOAPSA-N 0 1 290.432 2.853 20 30 CFEDMN C#C[C@H](N[C@H](C)c1ccc(F)c(F)c1)[C@H]1CCCO1 ZINC000775573532 628041362 /nfs/dbraw/zinc/04/13/62/628041362.db2.gz HPOPOVMOYIDGOX-WKPIXPDZSA-N 0 1 265.303 2.796 20 30 CFEDMN C#C[C@H](N[C@H](CC)c1cccc(OC)c1)[C@@H]1CCCO1 ZINC000775573307 628041571 /nfs/dbraw/zinc/04/15/71/628041571.db2.gz GXIXIUBKEYDKCC-IKGGRYGDSA-N 0 1 273.376 2.917 20 30 CFEDMN C#C[C@H](N[C@H]1CCc2c1cccc2F)[C@@H]1CCCO1 ZINC000775573287 628041682 /nfs/dbraw/zinc/04/16/82/628041682.db2.gz GOLBHRAQSPYKAA-JYJNAYRXSA-N 0 1 259.324 2.583 20 30 CFEDMN C#C[C@H](N[C@H](C)c1ccc(C#N)c(F)c1)[C@H]1CCCO1 ZINC000775574794 628042602 /nfs/dbraw/zinc/04/26/02/628042602.db2.gz RXOHZEFVJMJXAV-XFBWCDHKSA-N 0 1 272.323 2.529 20 30 CFEDMN C#CCN(CC#CC)C[C@H](C)c1ccc(OC)cc1 ZINC000775707377 628057335 /nfs/dbraw/zinc/05/73/35/628057335.db2.gz HDFUTRIFEXZTIH-HNNXBMFYSA-N 0 1 255.361 2.757 20 30 CFEDMN C#C[C@H](NCCOc1ccc(F)cc1Cl)[C@@H]1CCCO1 ZINC000775790847 628068979 /nfs/dbraw/zinc/06/89/79/628068979.db2.gz JOJGENSLXAWPLG-ZFWWWQNUSA-N 0 1 297.757 2.628 20 30 CFEDMN C#C[C@@H](NCc1ccccc1C(F)(F)F)[C@@H]1CCCO1 ZINC000775798005 628070025 /nfs/dbraw/zinc/07/00/25/628070025.db2.gz HEYPCNOZIJDEIQ-KGLIPLIRSA-N 0 1 283.293 2.976 20 30 CFEDMN C#CCOc1ccccc1NC(=O)CN1[C@@H](C)CC[C@@H]1C ZINC000775940382 628086684 /nfs/dbraw/zinc/08/66/84/628086684.db2.gz GFFJKYZZVTZAHV-KBPBESRZSA-N 0 1 286.375 2.510 20 30 CFEDMN C#CCOc1ccc(CN2CCOC[C@]2(C)CC)cc1 ZINC000775980154 628089879 /nfs/dbraw/zinc/08/98/79/628089879.db2.gz FIYCJNKZJLVNHO-KRWDZBQOSA-N 0 1 273.376 2.700 20 30 CFEDMN N#C[C@@H](OC(=O)c1[nH]nc2c1CCC2)C1CCCCC1 ZINC000776375704 628138437 /nfs/dbraw/zinc/13/84/37/628138437.db2.gz LOGIUNKGYHXPGM-CYBMUJFWSA-N 0 1 273.336 2.528 20 30 CFEDMN C[C@@H]1CC[C@@H](C(=O)C(C#N)C(=O)Nc2ccccc2)C1 ZINC000776515686 628155395 /nfs/dbraw/zinc/15/53/95/628155395.db2.gz IZBYRSVMZRONBT-YRGRVCCFSA-N 0 1 270.332 2.770 20 30 CFEDMN Cc1cc(C(C#N)C(=O)[C@@H]2CC[C@H](C)C2)nc(C)n1 ZINC000776516834 628155483 /nfs/dbraw/zinc/15/54/83/628155483.db2.gz OADSGEXYIIWWHK-BIMULSAOSA-N 0 1 257.337 2.706 20 30 CFEDMN CCN(CCC(C)(C)C#N)C1CN(C(=O)OC(C)(C)C)C1 ZINC000776591347 628163409 /nfs/dbraw/zinc/16/34/09/628163409.db2.gz OAXNSRNSZFEVSH-UHFFFAOYSA-N 0 1 295.427 2.867 20 30 CFEDMN Fc1cc(Cl)cc(C=NNC2=N[C@@H]3CCCC[C@@H]3N2)c1 ZINC000776727077 628171521 /nfs/dbraw/zinc/17/15/21/628171521.db2.gz ZLJKMYBZSQZHDY-BETUJISGSA-N 0 1 294.761 2.673 20 30 CFEDMN Cc1nc[nH]c1C=NN[C@@H](Cc1ccccc1)C(C)C ZINC000777448185 628227041 /nfs/dbraw/zinc/22/70/41/628227041.db2.gz MRTMQCMUIVJHRB-HNNXBMFYSA-N 0 1 270.380 2.909 20 30 CFEDMN Clc1ccnc(N=NCc2cnn3ccccc23)c1 ZINC000777906132 628263901 /nfs/dbraw/zinc/26/39/01/628263901.db2.gz SJBUIFKSUOVFLR-UHFFFAOYSA-N 0 1 271.711 2.829 20 30 CFEDMN COc1cc(C=NNc2cc(Cl)ccn2)cc(O)c1O ZINC000777906832 628264458 /nfs/dbraw/zinc/26/44/58/628264458.db2.gz HXVCHIYYPTVCCZ-UHFFFAOYSA-N 0 1 293.710 2.601 20 30 CFEDMN CC(=NNc1cc(Cl)nc(N)n1)c1cc(F)ccc1F ZINC000778544542 628314032 /nfs/dbraw/zinc/31/40/32/628314032.db2.gz XIGWOWYSVVIMQV-UHFFFAOYSA-N 0 1 297.696 2.827 20 30 CFEDMN C[C@H]1C[C@H]1c1ccc(C=NN=c2cc(Cl)[nH]c(N)n2)o1 ZINC000778548868 628314483 /nfs/dbraw/zinc/31/44/83/628314483.db2.gz JWGJKDPYPZMRGX-IONNQARKSA-N 0 1 291.742 2.875 20 30 CFEDMN Cc1ccc(N(CCC#N)C(=O)c2ncc(C)cc2O)cc1 ZINC000778610190 628319787 /nfs/dbraw/zinc/31/97/87/628319787.db2.gz ZQPHCFYOEVMCEO-UHFFFAOYSA-N 0 1 295.342 2.965 20 30 CFEDMN Cc1cc(C#N)ccc1COC(=O)C(C)(C)N1CCCC1 ZINC000805614478 628330001 /nfs/dbraw/zinc/33/00/01/628330001.db2.gz QCQMMSXPTKAFTJ-UHFFFAOYSA-N 0 1 286.375 2.784 20 30 CFEDMN C#C[C@@](C)(CC)NCC(=O)Nc1cccc(SC)c1 ZINC000852097362 634650226 /nfs/dbraw/zinc/65/02/26/634650226.db2.gz PFQVAIQCODPQAP-HNNXBMFYSA-N 0 1 276.405 2.739 20 30 CFEDMN COc1ccc(O)cc1C(C)=NNc1ccc(C)cn1 ZINC000779771267 628401652 /nfs/dbraw/zinc/40/16/52/628401652.db2.gz AWZXJOOTJSZNLV-UHFFFAOYSA-N 0 1 271.320 2.940 20 30 CFEDMN C[C@H]1CC(N=Nc2ccncc2)CN1Cc1ccccc1 ZINC000779811225 628409990 /nfs/dbraw/zinc/40/99/90/628409990.db2.gz NDSYZLUEENNANY-AWEZNQCLSA-N 0 1 280.375 2.566 20 30 CFEDMN COc1cccc(NN=Cc2ccc(OC)c(F)c2)n1 ZINC000779818959 628410757 /nfs/dbraw/zinc/41/07/57/628410757.db2.gz ZEMQMANHRGQQQE-UHFFFAOYSA-N 0 1 275.283 2.684 20 30 CFEDMN COc1cccc(N=NCc2cnc(C3CC3)s2)n1 ZINC000779818872 628410787 /nfs/dbraw/zinc/41/07/87/628410787.db2.gz DGBGHLMSZAIYFB-UHFFFAOYSA-N 0 1 274.349 2.870 20 30 CFEDMN COc1cccc(NN=C(C)c2ccc(F)cc2O)n1 ZINC000779817858 628410798 /nfs/dbraw/zinc/41/07/98/628410798.db2.gz TZTUPGAHASORFX-UHFFFAOYSA-N 0 1 275.283 2.771 20 30 CFEDMN COc1cccc(N=NC(C)c2ccccc2[N+](=O)[O-])n1 ZINC000779820073 628411151 /nfs/dbraw/zinc/41/11/51/628411151.db2.gz DLCAJLPWAMWKJM-UHFFFAOYSA-N 0 1 286.291 2.835 20 30 CFEDMN C#C[C@](C)(CC)N[C@H]1CCCN(c2ccccc2F)C1=O ZINC000852100244 634654677 /nfs/dbraw/zinc/65/46/77/634654677.db2.gz GIOBRCKQNVIEMF-WMLDXEAASA-N 0 1 288.366 2.713 20 30 CFEDMN C#C[C@@](C)(CC)N[C@@H](C)C(=O)c1c[nH]c2ncccc12 ZINC000852101120 634655320 /nfs/dbraw/zinc/65/53/20/634655320.db2.gz MLUCMDHYPNSVJX-ZBEGNZNMSA-N 0 1 269.348 2.526 20 30 CFEDMN C#C[C@@](C)(CC)N[C@H]1CCN(c2ccc(Cl)cc2)C1=O ZINC000852102674 634656076 /nfs/dbraw/zinc/65/60/76/634656076.db2.gz NEZPJLRPAQDIDF-HOCLYGCPSA-N 0 1 290.794 2.837 20 30 CFEDMN COc1ccc(N=NCc2ccc(OC)c(OC)c2)nc1 ZINC000780270684 628448695 /nfs/dbraw/zinc/44/86/95/628448695.db2.gz KQBPTDGJWPSLSL-UHFFFAOYSA-N 0 1 287.319 2.553 20 30 CFEDMN C#C[C@](C)(CC)NCC(=O)Nc1ccc(C#N)c(Cl)c1 ZINC000852101925 634656903 /nfs/dbraw/zinc/65/69/03/634656903.db2.gz URHCTNVQDOLGPM-OAHLLOKOSA-N 0 1 289.766 2.542 20 30 CFEDMN C[C@H]1CCCC(=NNCCN2CCCCC2)[C@H]1C ZINC000781121610 628523408 /nfs/dbraw/zinc/52/34/08/628523408.db2.gz BAEUPMLKZAMABK-KBPBESRZSA-N 0 1 251.418 2.874 20 30 CFEDMN N#CCOc1ccc(CN2CCC[C@@H](OC(F)F)C2)cc1 ZINC000781353443 628542184 /nfs/dbraw/zinc/54/21/84/628542184.db2.gz JQOAFUYHMJFGCK-CQSZACIVSA-N 0 1 296.317 2.793 20 30 CFEDMN C#C[C@@](C)(CC)N[C@@H]1CCN(c2cccc(Cl)c2)C1=O ZINC000852103187 634657348 /nfs/dbraw/zinc/65/73/48/634657348.db2.gz ZTNAZKPLJDLATL-ZBFHGGJFSA-N 0 1 290.794 2.837 20 30 CFEDMN C#CCN1CCC[C@@H]1COC(=O)C1(C)CCCCC1 ZINC000781472507 628551563 /nfs/dbraw/zinc/55/15/63/628551563.db2.gz DQDMWLSPYUCRJL-CQSZACIVSA-N 0 1 263.381 2.598 20 30 CFEDMN Cc1cccnc1CN=Nc1cnnc2ccccc12 ZINC000781595177 628563602 /nfs/dbraw/zinc/56/36/02/628563602.db2.gz YMKLDVQQOMFWPH-UHFFFAOYSA-N 0 1 263.304 2.779 20 30 CFEDMN C=CC[C@@H]1CCCC[C@@H]1NC(=O)NCc1cc(CC)[nH]n1 ZINC000852129931 634665934 /nfs/dbraw/zinc/66/59/34/634665934.db2.gz GDTQZVDQOCDFNT-DOMZBBRYSA-N 0 1 290.411 2.906 20 30 CFEDMN N#Cc1cc(F)c(CN=Nc2ccc(Cl)nn2)c(F)c1 ZINC000782119736 628606011 /nfs/dbraw/zinc/60/60/11/628606011.db2.gz NDXNMSODFYAUBN-UHFFFAOYSA-N 0 1 293.664 2.726 20 30 CFEDMN CC#CCCOC(=O)c1[nH]c(-c2cccc(OC)c2)nc1C ZINC000782147940 628608023 /nfs/dbraw/zinc/60/80/23/628608023.db2.gz WYCFKTTYTWTMGU-UHFFFAOYSA-N 0 1 298.342 2.964 20 30 CFEDMN CN(C)c1ccncc1C=NN[C@@H]1CCCC1(C)C ZINC000782287139 628624040 /nfs/dbraw/zinc/62/40/40/628624040.db2.gz KFXXFHFEOLMBKD-CQSZACIVSA-N 0 1 260.385 2.650 20 30 CFEDMN CC1(C)CCC[C@@H]1NN=Cc1cc(-c2cccnc2)[nH]n1 ZINC000782301611 628626560 /nfs/dbraw/zinc/62/65/60/628626560.db2.gz QHRJUIBUUUEJGB-HNNXBMFYSA-N 0 1 283.379 2.974 20 30 CFEDMN C=CCCN(OCc1ccccc1)C(=O)CN(C)C(C)C ZINC000783873253 628752593 /nfs/dbraw/zinc/75/25/93/628752593.db2.gz VXDVIQADIXNWQU-UHFFFAOYSA-N 0 1 290.407 2.863 20 30 CFEDMN Cc1cc(CC(=O)OCc2ccc(C#N)cc2Cl)n[nH]1 ZINC000784233522 628793292 /nfs/dbraw/zinc/79/32/92/628793292.db2.gz NFLZWFHSXJRNCL-UHFFFAOYSA-N 0 1 289.722 2.529 20 30 CFEDMN CC[C@H](C)CCCCC(=O)C(C#N)C(=O)NC(C)C ZINC000784829724 628844656 /nfs/dbraw/zinc/84/46/56/628844656.db2.gz YQYAIWHDLOGVQV-QWHCGFSZSA-N 0 1 266.385 2.826 20 30 CFEDMN C#C[C@@H](NCc1ccc2cnccc2c1)[C@@H]1CCCO1 ZINC000785513126 628890519 /nfs/dbraw/zinc/89/05/19/628890519.db2.gz GLLZDZYQKICTIA-SJORKVTESA-N 0 1 266.344 2.505 20 30 CFEDMN C=C[C@H]1CCCCN1C[C@@H](O)c1cc(OC)ccc1OC ZINC000785997215 628929025 /nfs/dbraw/zinc/92/90/25/628929025.db2.gz KBVZPIYIZBGXNH-XJKSGUPXSA-N 0 1 291.391 2.778 20 30 CFEDMN C=CCC[N@H+](C)Cc1cc(F)cc(C(C)=O)c1[O-] ZINC000786438899 628956517 /nfs/dbraw/zinc/95/65/17/628956517.db2.gz WRSNTDNSWBPOBE-UHFFFAOYSA-N 0 1 251.301 2.742 20 30 CFEDMN Cc1coc(C)c1C(=O)Nc1cc(C#N)ccc1O ZINC000786465613 628959116 /nfs/dbraw/zinc/95/91/16/628959116.db2.gz KEOOEYHLZULUHR-UHFFFAOYSA-N 0 1 256.261 2.726 20 30 CFEDMN N#C[C@H](C(=O)[C@@H]1CCCOCC1)c1cnc2ccccc2n1 ZINC000786521306 628965308 /nfs/dbraw/zinc/96/53/08/628965308.db2.gz UTJVCEAUSNBOCJ-OLZOCXBDSA-N 0 1 295.342 2.623 20 30 CFEDMN O=C(/C=C\c1cc(O)ccc1[N+](=O)[O-])c1cncs1 ZINC000787170789 628997458 /nfs/dbraw/zinc/99/74/58/628997458.db2.gz CFOSMWCIYBURES-RJRFIUFISA-N 0 1 276.273 2.653 20 30 CFEDMN Cc1cc(C(C#N)C(=O)CCCCCC#N)nc(C)n1 ZINC000805854500 629038399 /nfs/dbraw/zinc/03/83/99/629038399.db2.gz WWNPHBOMWJKPLR-ZDUSSCGKSA-N 0 1 270.336 2.744 20 30 CFEDMN C#CCC1(C(=O)NO[C@@H]2CCCCO2)CCCCC1 ZINC000788504572 629076005 /nfs/dbraw/zinc/07/60/05/629076005.db2.gz CCOMFGONLUBYSB-CYBMUJFWSA-N 0 1 265.353 2.535 20 30 CFEDMN CCCCOc1ccc(C(C)=NNC2=NC[C@@H](C)N2)cc1 ZINC000789037167 629119554 /nfs/dbraw/zinc/11/95/54/629119554.db2.gz NDIQCIQZNKIPJF-GFCCVEGCSA-N 0 1 288.395 2.527 20 30 CFEDMN CC(=NNCCc1ccncc1)c1ccccc1N(C)C ZINC000789093226 629125603 /nfs/dbraw/zinc/12/56/03/629125603.db2.gz BRCCYFMMYJPQTL-UHFFFAOYSA-N 0 1 282.391 2.704 20 30 CFEDMN CC(=NNCCc1ccccn1)c1ccccc1N(C)C ZINC000789106143 629127758 /nfs/dbraw/zinc/12/77/58/629127758.db2.gz YQUKAZNHTNFUFZ-UHFFFAOYSA-N 0 1 282.391 2.704 20 30 CFEDMN O=C(OCC#Cc1ccccc1)c1[nH]nc2c1CCCCC2 ZINC000789351731 629149948 /nfs/dbraw/zinc/14/99/48/629149948.db2.gz HMALCJSWNBNKCD-UHFFFAOYSA-N 0 1 294.354 2.887 20 30 CFEDMN COc1cc(CN=Nc2ncccc2C)cc2c1OCCO2 ZINC000790185984 629217379 /nfs/dbraw/zinc/21/73/79/629217379.db2.gz LUNWPDCLSGAUHX-UHFFFAOYSA-N 0 1 299.330 2.616 20 30 CFEDMN CC(=O)Nc1ccc(O)c(C(C)N=Nc2ncccc2C)c1 ZINC000790187347 629217620 /nfs/dbraw/zinc/21/76/20/629217620.db2.gz WNUOJURAAFZNEL-UHFFFAOYSA-N 0 1 298.346 2.890 20 30 CFEDMN Cc1cccnc1NN=Cc1nc(Cl)cs1 ZINC000790190435 629218136 /nfs/dbraw/zinc/21/81/36/629218136.db2.gz JTRGGQKNMZDCBX-UHFFFAOYSA-N 0 1 252.730 2.946 20 30 CFEDMN Cc1ccc[nH+]c1[N-]N=Cc1nc(Cl)cs1 ZINC000790190435 629218138 /nfs/dbraw/zinc/21/81/38/629218138.db2.gz JTRGGQKNMZDCBX-UHFFFAOYSA-N 0 1 252.730 2.946 20 30 CFEDMN Cc1cccnc1NN=C1CCc2c1cccc2O ZINC000790193095 629218695 /nfs/dbraw/zinc/21/86/95/629218695.db2.gz SIIXYFLYQOZQNK-UHFFFAOYSA-N 0 1 253.305 2.858 20 30 CFEDMN C#CCCCC(=O)Nc1cccc2c1OCC[C@@H]2N(C)C ZINC000790235606 629221911 /nfs/dbraw/zinc/22/19/11/629221911.db2.gz IIOJEYLDRUGRKW-HNNXBMFYSA-N 0 1 286.375 2.814 20 30 CFEDMN Cn1cc[nH+]c1[N-]N=C1CCc2c1cccc2Cl ZINC000790299302 629226936 /nfs/dbraw/zinc/22/69/36/629226936.db2.gz BCWXXGNKFKOASF-UHFFFAOYSA-N 0 1 260.728 2.836 20 30 CFEDMN COc1ccc2c(c1)C(=NNc1nccn1C)CCS2 ZINC000790300095 629227472 /nfs/dbraw/zinc/22/74/72/629227472.db2.gz QJNIKLPYPADGIQ-UHFFFAOYSA-N 0 1 288.376 2.741 20 30 CFEDMN CC(=NNc1nccn1C)c1cnn(Cc2ccccc2)c1 ZINC000790301575 629228164 /nfs/dbraw/zinc/22/81/64/629228164.db2.gz GTRCUMGWPZYNBB-UHFFFAOYSA-N 0 1 294.362 2.501 20 30 CFEDMN C[C@@H]1CC(N=Nc2nccn2C)CN(Cc2ccccc2)C1 ZINC000790302316 629228443 /nfs/dbraw/zinc/22/84/43/629228443.db2.gz PDPQVEUSZWRODJ-CQSZACIVSA-N 0 1 297.406 2.730 20 30 CFEDMN CC(=N[N-]c1[nH+]ccn1C)c1ccc(F)c(F)c1 ZINC000790305958 629229656 /nfs/dbraw/zinc/22/96/56/629229656.db2.gz RFRFVAHWLNMIPE-UHFFFAOYSA-N 0 1 250.252 2.534 20 30 CFEDMN Cn1ccnc1N=NCc1ccc(Br)cc1 ZINC000790306246 629229731 /nfs/dbraw/zinc/22/97/31/629229731.db2.gz UEWCDVBHWFZTHD-UHFFFAOYSA-N 0 1 279.141 2.629 20 30 CFEDMN Cc1ncc(C=NNc2cccc(F)c2[N+](=O)[O-])s1 ZINC000790308714 629230119 /nfs/dbraw/zinc/23/01/19/629230119.db2.gz LZYUYXDQCHVIJS-UHFFFAOYSA-N 0 1 280.284 2.945 20 30 CFEDMN N#CC[C@H]1CCCN(C[C@H](O)c2ccccc2Cl)C1 ZINC000852320061 634720863 /nfs/dbraw/zinc/72/08/63/634720863.db2.gz VOZXYWMRMWTYRS-DOMZBBRYSA-N 0 1 278.783 2.999 20 30 CFEDMN N#CC[C@@H]1CCCN(C[C@H](O)c2ccc(F)c(F)c2)C1 ZINC000852319925 634721241 /nfs/dbraw/zinc/72/12/41/634721241.db2.gz TYAVRZRLZNUMDM-NHYWBVRUSA-N 0 1 280.318 2.624 20 30 CFEDMN Cn1c2ccccc2nc1C(C#N)C(=O)CSC(F)F ZINC000835034931 629329942 /nfs/dbraw/zinc/32/99/42/629329942.db2.gz CCZINUXFFGYJPD-QMMMGPOBSA-N 0 1 295.314 2.705 20 30 CFEDMN Cc1cc(C(C#N)C(=O)C[C@@H]2CC[C@@H]3C[C@@H]32)nc(C)n1 ZINC000835058719 629361380 /nfs/dbraw/zinc/36/13/80/629361380.db2.gz BRJIXSPBRIIOBR-RFGFWPKPSA-N 0 1 269.348 2.706 20 30 CFEDMN N#CC(C(=O)[C@H]1CCN(c2ccccc2)C1)c1ccccn1 ZINC000835061632 629364489 /nfs/dbraw/zinc/36/44/89/629364489.db2.gz UBLGGBIWHCZQBY-GOEBONIOSA-N 0 1 291.354 2.784 20 30 CFEDMN N#CC(C(=O)CC1CC(F)(F)C1)C(=O)Nc1ccccc1 ZINC000835062602 629366843 /nfs/dbraw/zinc/36/68/43/629366843.db2.gz DPEKADXYHRTMHJ-LBPRGKRZSA-N 0 1 292.285 2.769 20 30 CFEDMN C[C@@H]1CC[C@H](C(=O)C(C#N)C(=O)NC2CCCC2)C[C@H]1C ZINC000835074039 629370820 /nfs/dbraw/zinc/37/08/20/629370820.db2.gz QYWLRWHMQAKFAU-CXTNEJHOSA-N 0 1 290.407 2.826 20 30 CFEDMN N#CC(C(=O)CCn1cccn1)c1nccc2ccccc21 ZINC000792096806 629397067 /nfs/dbraw/zinc/39/70/67/629397067.db2.gz RTRRTDMLLIXGKJ-OAHLLOKOSA-N 0 1 290.326 2.698 20 30 CFEDMN C=CCN(C[C@H](O)c1c(F)cccc1F)[C@H](C)COC ZINC000852357806 634732800 /nfs/dbraw/zinc/73/28/00/634732800.db2.gz HWPBLFHXHQXGKF-RISCZKNCSA-N 0 1 285.334 2.521 20 30 CFEDMN N#Cc1ccc(CN[C@H](CCO)c2cccs2)cc1F ZINC000792284053 629417705 /nfs/dbraw/zinc/41/77/05/629417705.db2.gz UDMYGZHYFMYOLP-CQSZACIVSA-N 0 1 290.363 2.972 20 30 CFEDMN O=C(OCC#Cc1ccc(F)cc1)c1ccc2cncn2c1 ZINC000792549236 629432910 /nfs/dbraw/zinc/43/29/10/629432910.db2.gz BDVOQUKPOCTKIU-UHFFFAOYSA-N 0 1 294.285 2.682 20 30 CFEDMN COc1cc(C=NN[C@H](C)C(C)(C)C)cc([N+](=O)[O-])c1O ZINC000793113963 629488637 /nfs/dbraw/zinc/48/86/37/629488637.db2.gz IBMMVLUTMPYRMN-SECBINFHSA-N 0 1 295.339 2.667 20 30 CFEDMN Cc1cccc2[nH]c([C@@H](C#N)C(=O)[C@@H]3CC3(F)F)nc21 ZINC000835175001 629489199 /nfs/dbraw/zinc/48/91/99/629489199.db2.gz XYPUJFYEIFCZSN-IUCAKERBSA-N 0 1 275.258 2.703 20 30 CFEDMN C#C[C@@H](Cc1ccccc1)OC(=O)c1ccc2cncn2c1 ZINC000793173161 629498611 /nfs/dbraw/zinc/49/86/11/629498611.db2.gz LNJRAKZAZCVHGK-KRWDZBQOSA-N 0 1 290.322 2.736 20 30 CFEDMN CCOC(=O)c1ccc(CN=Nc2cccc(Cl)n2)o1 ZINC000793176155 629499484 /nfs/dbraw/zinc/49/94/84/629499484.db2.gz ZHXYDWONPZWBCT-UHFFFAOYSA-N 0 1 293.710 2.951 20 30 CFEDMN CC(C)CN(Cn1cc2c(c(C#N)c1=O)CCCC2)C1CC1 ZINC000793482144 629555080 /nfs/dbraw/zinc/55/50/80/629555080.db2.gz FYITXVZRMSBJEP-UHFFFAOYSA-N 0 1 299.418 2.677 20 30 CFEDMN CC[C@H]1C[C@H](C)CN1Cn1cc2c(c(C#N)c1=O)CCCC2 ZINC000793503402 629557498 /nfs/dbraw/zinc/55/74/98/629557498.db2.gz ICGYERNOYALTMV-ZFWWWQNUSA-N 0 1 299.418 2.677 20 30 CFEDMN CC[C@@H](C)CC[C@@H](O)CC(=O)Nc1cc(C#N)ccc1O ZINC000793736101 629589805 /nfs/dbraw/zinc/58/98/05/629589805.db2.gz VCQLMALGVUGMEV-DGCLKSJQSA-N 0 1 290.363 2.780 20 30 CFEDMN Cc1ccc(NN=C2COCc3cccc(Cl)c32)nn1 ZINC000794507031 629651436 /nfs/dbraw/zinc/65/14/36/629651436.db2.gz DTYVVCOHHGJRBU-UHFFFAOYSA-N 0 1 288.738 2.785 20 30 CFEDMN CN(Cn1cc2c(c(C#N)c1=O)CCC2)[C@@H]1CCC(C)(C)C1 ZINC000794683449 629674977 /nfs/dbraw/zinc/67/49/77/629674977.db2.gz FGZJYMUTMOEVTO-CQSZACIVSA-N 0 1 299.418 2.677 20 30 CFEDMN Oc1cc(Cl)c(C=NNc2cncnc2)cc1Cl ZINC000794972951 629713170 /nfs/dbraw/zinc/71/31/70/629713170.db2.gz QDYUJNJJHCAYML-UHFFFAOYSA-N 0 1 283.118 2.935 20 30 CFEDMN Cc1ccc(C(C)N=Nc2cncnc2)cc1[N+](=O)[O-] ZINC000794977897 629714387 /nfs/dbraw/zinc/71/43/87/629714387.db2.gz CBOUVGHKGZVPIT-UHFFFAOYSA-N 0 1 271.280 2.529 20 30 CFEDMN FC(F)(F)COc1cccc(C=NNc2cncnc2)c1 ZINC000794978058 629714859 /nfs/dbraw/zinc/71/48/59/629714859.db2.gz GAQBACFWXZAPAX-UHFFFAOYSA-N 0 1 296.252 2.864 20 30 CFEDMN FC(F)(F)OCC(N=Nc1cncnc1)c1ccccc1 ZINC000794979669 629715801 /nfs/dbraw/zinc/71/58/01/629715801.db2.gz NOTXTECZHALVHT-UHFFFAOYSA-N 0 1 296.252 2.829 20 30 CFEDMN COCCCON=C1CN(Cc2ccccc2)CC[C@@H]1C ZINC000795054682 629730969 /nfs/dbraw/zinc/73/09/69/629730969.db2.gz AABMOSQKQYUZFY-HNNXBMFYSA-N 0 1 290.407 2.938 20 30 CFEDMN CC[C@@](C)(C#N)C(=O)O[C@H]1CCN(Cc2ccccc2)C1 ZINC000797037629 630006385 /nfs/dbraw/zinc/00/63/85/630006385.db2.gz FYCCZPDRHJKHCG-RDJZCZTQSA-N 0 1 286.375 2.744 20 30 CFEDMN N#C[C@H](C(=O)C1CC(c2ccc(F)cc2)C1)c1ccncn1 ZINC000797076569 630013516 /nfs/dbraw/zinc/01/35/16/630013516.db2.gz KTPKLWXVJLNULP-PIMMBPRGSA-N 0 1 295.317 2.986 20 30 CFEDMN N#CCC1(C[NH2+]Cc2cc(Br)ccc2[O-])CC1 ZINC000797469319 630070860 /nfs/dbraw/zinc/07/08/60/630070860.db2.gz WBCZTYLDQJTDQE-UHFFFAOYSA-N 0 1 295.180 2.938 20 30 CFEDMN CC(C)c1nn(C)c(Cl)c1CNCC1(CC#N)CC1 ZINC000797469367 630071047 /nfs/dbraw/zinc/07/10/47/630071047.db2.gz XJAVEQIIKDQABV-UHFFFAOYSA-N 0 1 280.803 2.980 20 30 CFEDMN C=CC[C@@H](CCc1ccccc1)OC(=O)CCc1nc[nH]n1 ZINC000797564216 630081541 /nfs/dbraw/zinc/08/15/41/630081541.db2.gz GANBPKVNHQGXCX-HNNXBMFYSA-N 0 1 299.374 2.858 20 30 CFEDMN Cc1ccccc1NC(=O)C[C@H](C)NCC1(C#N)CC1 ZINC000797604844 630088263 /nfs/dbraw/zinc/08/82/63/630088263.db2.gz DKJCUPZTTYXOAC-ZDUSSCGKSA-N 0 1 271.364 2.606 20 30 CFEDMN C=CCOc1ccc(COC(=O)[C@H](C(C)C)N(C)C)cc1 ZINC000798853690 630246985 /nfs/dbraw/zinc/24/69/85/630246985.db2.gz GAXSNXPQYHJBQE-INIZCTEOSA-N 0 1 291.391 2.881 20 30 CFEDMN C=C[C@H](OC(=O)c1ccc([N+](=O)[O-])[nH]1)C(C)(C)C ZINC000798906937 630258393 /nfs/dbraw/zinc/25/83/93/630258393.db2.gz RVYLTBAFLAYSBF-VIFPVBQESA-N 0 1 252.270 2.680 20 30 CFEDMN N#Cc1ccc(CN2CC[C@H](c3ccccn3)C2)o1 ZINC000798962033 630264816 /nfs/dbraw/zinc/26/48/16/630264816.db2.gz IHINVUZMRQRRBP-LBPRGKRZSA-N 0 1 253.305 2.536 20 30 CFEDMN N#Cc1ccccc1CN1CC[C@@H](c2ccccn2)C1 ZINC000798965696 630266178 /nfs/dbraw/zinc/26/61/78/630266178.db2.gz XNKQLPJORWXXKV-MRXNPFEDSA-N 0 1 263.344 2.943 20 30 CFEDMN Cc1cc(=O)[nH]c(N=NC2CCC(C(F)F)CC2)n1 ZINC000799461982 630310951 /nfs/dbraw/zinc/31/09/51/630310951.db2.gz HLTSJPNEFPLEIQ-UHFFFAOYSA-N 0 1 270.283 2.714 20 30 CFEDMN FC(F)(F)c1cc(C=NOCc2ccccc2)[nH]n1 ZINC000799476668 630312349 /nfs/dbraw/zinc/31/23/49/630312349.db2.gz QYYIPGSAYUGQBK-UHFFFAOYSA-N 0 1 269.226 2.979 20 30 CFEDMN CC1(C)CCC[C@@H]1NN=Cc1cc(C(F)(F)F)n[nH]1 ZINC000799487729 630314709 /nfs/dbraw/zinc/31/47/09/630314709.db2.gz ZFKQDRDJNARNQM-VIFPVBQESA-N 0 1 274.290 2.931 20 30 CFEDMN C#CCCN[C@@H](CO)c1cccc(Cl)c1Cl ZINC000852678368 634804572 /nfs/dbraw/zinc/80/45/72/634804572.db2.gz CEWSBHHJJPLFBF-NSHDSACASA-N 0 1 258.148 2.640 20 30 CFEDMN C[C@@H]1CC(NC(=O)c2ncccc2Oc2ccccc2)=NO1 ZINC000799714162 630338010 /nfs/dbraw/zinc/33/80/10/630338010.db2.gz IZKXGUQPJJQYNO-LLVKDONJSA-N 0 1 297.314 2.726 20 30 CFEDMN CC(C)OC[C@@H](C)NCc1cc(C#N)ccc1F ZINC000800243796 630362267 /nfs/dbraw/zinc/36/22/67/630362267.db2.gz ZUOFXGSTBMNDSJ-LLVKDONJSA-N 0 1 250.317 2.600 20 30 CFEDMN C#C[C@H](N[C@@H](C)c1cnn(C2CCCC2)c1)[C@@H]1CCCO1 ZINC000800490875 630391924 /nfs/dbraw/zinc/39/19/24/630391924.db2.gz PSPMKOTTZMFNGR-JQFCIGGWSA-N 0 1 287.407 2.830 20 30 CFEDMN Cc1nc(C(C)N=Nc2ccnc3ccccc23)cn1C ZINC000800812530 630407186 /nfs/dbraw/zinc/40/71/86/630407186.db2.gz GLMYBYLLLBUKFE-UHFFFAOYSA-N 0 1 279.347 2.535 20 30 CFEDMN COC(=O)c1c(F)cccc1N=NC(C)c1cccnc1 ZINC000800816413 630408262 /nfs/dbraw/zinc/40/82/62/630408262.db2.gz CEZMDCDMNVIJTC-UHFFFAOYSA-N 0 1 287.294 2.843 20 30 CFEDMN COC(=O)c1c(F)cccc1N=NCc1nc(C)cs1 ZINC000800817984 630408482 /nfs/dbraw/zinc/40/84/82/630408482.db2.gz BRPKIGMSKXXSQM-UHFFFAOYSA-N 0 1 293.323 2.823 20 30 CFEDMN C[C@@H](C#N)OCCN[C@@H](C)c1nc2ccccc2s1 ZINC000801941848 630493215 /nfs/dbraw/zinc/49/32/15/630493215.db2.gz ZHXFVYATMONLJD-QWRGUYRKSA-N 0 1 275.377 2.876 20 30 CFEDMN COCCCn1nccc1CN=Nc1cccc(F)c1F ZINC000802711614 630539859 /nfs/dbraw/zinc/53/98/59/630539859.db2.gz ZMLGJSNNRHYDSI-UHFFFAOYSA-N 0 1 294.305 2.644 20 30 CFEDMN CCc1ccc2occ(C(=O)N=C3C[C@@H](C)ON3)c2c1 ZINC000802932803 630567379 /nfs/dbraw/zinc/56/73/79/630567379.db2.gz KDXOAVFPMLRHAO-SECBINFHSA-N 0 1 272.304 2.847 20 30 CFEDMN C#CCCN(CCOC)Cc1cc(Cl)nc(Cl)c1 ZINC000852752403 634826028 /nfs/dbraw/zinc/82/60/28/634826028.db2.gz XEAHLAFBQZUIFZ-UHFFFAOYSA-N 0 1 287.190 2.860 20 30 CFEDMN C=CCN1CCN(C[N@H+]2CCC3(C2)CCCCC3)C1=O ZINC000840009804 630630459 /nfs/dbraw/zinc/63/04/59/630630459.db2.gz JZZISOWRSNJPMA-UHFFFAOYSA-N 0 1 277.412 2.524 20 30 CFEDMN C=CCN1CCN(CN2CC[C@@](C)(c3ccccc3)C2)C1=O ZINC000840027337 630661081 /nfs/dbraw/zinc/66/10/81/630661081.db2.gz YEMOXMSUDWFFAA-GOSISDBHSA-N 0 1 299.418 2.531 20 30 CFEDMN CCCCCCCC(=O)N1CCN(CC)C[C@H]1C ZINC000804378837 630677220 /nfs/dbraw/zinc/67/72/20/630677220.db2.gz CSPIKPULVLSIDR-CQSZACIVSA-N 0 1 254.418 2.900 20 30 CFEDMN C=CCCCCCCNC(=O)NCCN1CC=CCC1 ZINC000807572721 630895727 /nfs/dbraw/zinc/89/57/27/630895727.db2.gz QKOXGMFHRFJUFL-UHFFFAOYSA-N 0 1 279.428 2.684 20 30 CFEDMN C#C[C@H](NC(=O)[C@H](c1ccccc1)N(C)CC)C(C)(C)C ZINC000807884711 630920145 /nfs/dbraw/zinc/92/01/45/630920145.db2.gz VFPJXKPYVYNSAY-HOTGVXAUSA-N 0 1 286.419 2.844 20 30 CFEDMN CC(C)(O)c1ccc(C=NNc2ccccn2)cc1 ZINC000807950138 630925555 /nfs/dbraw/zinc/92/55/55/630925555.db2.gz OQKIHRJFPNKCHK-UHFFFAOYSA-N 0 1 255.321 2.755 20 30 CFEDMN Cc1nc(C(C)N=Nc2ccc([N+](=O)[O-])cc2C)cn1C ZINC000807989098 630932057 /nfs/dbraw/zinc/93/20/57/630932057.db2.gz KIHCRUJVBKDLQX-UHFFFAOYSA-N 0 1 287.323 2.781 20 30 CFEDMN CC(=NNCC1CCCC1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000808006402 630940266 /nfs/dbraw/zinc/94/02/66/630940266.db2.gz VMQJQMVPHSTLSU-UHFFFAOYSA-N 0 1 276.340 2.681 20 30 CFEDMN Cc1nc2ccc(COc3ccc(F)nc3C#N)cc2[nH]1 ZINC000808045710 630944462 /nfs/dbraw/zinc/94/44/62/630944462.db2.gz XYVQRIUVUQMLES-UHFFFAOYSA-N 0 1 282.278 2.856 20 30 CFEDMN CC(C)(C)c1[nH]n(CCOC2CCC2)c(=O)c1CCC#N ZINC000808259034 630972785 /nfs/dbraw/zinc/97/27/85/630972785.db2.gz GHKNEPLEGKAKQB-UHFFFAOYSA-N 0 1 291.395 2.911 20 30 CFEDMN CCCON=C(C)c1cccc(N2CCOCC2)c1 ZINC000842566085 631102871 /nfs/dbraw/zinc/10/28/71/631102871.db2.gz UGBREAVMMBXIKV-UHFFFAOYSA-N 0 1 262.353 2.674 20 30 CFEDMN CCCCCCC[C@@H](C)CNC(=O)N(C)Cc1nnc[nH]1 ZINC000837774539 631127414 /nfs/dbraw/zinc/12/74/14/631127414.db2.gz BEZBFMVBDOQHMM-CYBMUJFWSA-N 0 1 295.431 2.943 20 30 CFEDMN CC(C)[C@@H](C(=O)OCCC1(C#N)CCCCC1)N(C)C ZINC000840520946 631162214 /nfs/dbraw/zinc/16/22/14/631162214.db2.gz RVHSJEFTMKXGDH-AWEZNQCLSA-N 0 1 280.412 2.980 20 30 CFEDMN C#Cc1ccc(CNCc2cc(OC)ccc2OC)cc1 ZINC000809425407 631224985 /nfs/dbraw/zinc/22/49/85/631224985.db2.gz ZMEZGQBIGOAKEA-UHFFFAOYSA-N 0 1 281.355 2.975 20 30 CFEDMN C#Cc1ccc(CNCc2cccc3c2OCCO3)cc1 ZINC000809602020 631244170 /nfs/dbraw/zinc/24/41/70/631244170.db2.gz HTEDTUVPUPSORF-UHFFFAOYSA-N 0 1 279.339 2.729 20 30 CFEDMN C#Cc1ccc(CN[C@@H]2CCN(C3CCCCC3)C2=O)cc1 ZINC000809627815 631250800 /nfs/dbraw/zinc/25/08/00/631250800.db2.gz HJGQELCCNHXXKG-GOSISDBHSA-N 0 1 296.414 2.691 20 30 CFEDMN C#C[C@@H](CC)NCc1cc2ccccc2nc1OC ZINC000809686345 631262557 /nfs/dbraw/zinc/26/25/57/631262557.db2.gz MQRLFLBEHOAHIJ-AWEZNQCLSA-N 0 1 254.333 2.745 20 30 CFEDMN C#C[C@H](CC)NCc1ccc([N+](=O)[O-])c(Cl)c1 ZINC000809686362 631263053 /nfs/dbraw/zinc/26/30/53/631263053.db2.gz NSOUUSKCJKWAJH-SNVBAGLBSA-N 0 1 252.701 2.750 20 30 CFEDMN C#CCN(Cc1ccccc1)Cc1cc(O)ccc1[N+](=O)[O-] ZINC000809717073 631270412 /nfs/dbraw/zinc/27/04/12/631270412.db2.gz WPKKWYATJGGXAX-UHFFFAOYSA-N 0 1 296.326 2.936 20 30 CFEDMN C[C@H](C[C@H](O)c1ccccc1)NCc1nc(C#N)cs1 ZINC000810152496 631335339 /nfs/dbraw/zinc/33/53/39/631335339.db2.gz SALIYZUCTFIPRA-RISCZKNCSA-N 0 1 287.388 2.617 20 30 CFEDMN C=CCOc1ccc(C(=O)O[C@H](C)c2n[nH]c(C)n2)cc1 ZINC000840198610 631360578 /nfs/dbraw/zinc/36/05/78/631360578.db2.gz AUGOMQVDBWKFCN-SNVBAGLBSA-N 0 1 287.319 2.596 20 30 CFEDMN C[C@H]1[C@@H](C)N(Cn2cc3c(c(C#N)c2=O)CCCC3)C[C@H]1C ZINC000841688156 631451505 /nfs/dbraw/zinc/45/15/05/631451505.db2.gz CMBBHPHZDMXVMY-MGPQQGTHSA-N 0 1 299.418 2.533 20 30 CFEDMN C[C@H](CC(=O)Nc1ccccc1)NCC1(C#N)CCC1 ZINC000841895666 631490050 /nfs/dbraw/zinc/49/00/50/631490050.db2.gz ASTMFAHVLTXWCM-CYBMUJFWSA-N 0 1 271.364 2.687 20 30 CFEDMN C[C@@H]1C(=NOC[C@@H]2CCOC2)CCN1Cc1ccccc1 ZINC000811648900 631592371 /nfs/dbraw/zinc/59/23/71/631592371.db2.gz UHKPBIPZIYNNNK-GDBMZVCRSA-N 0 1 288.391 2.690 20 30 CFEDMN C=CCCCN(C)CN1CC[C@H](Cc2ccccc2)C1=O ZINC000811746032 631616424 /nfs/dbraw/zinc/61/64/24/631616424.db2.gz GDFSBHXBXFYCEL-QGZVFWFLSA-N 0 1 286.419 2.933 20 30 CFEDMN C#CC[C@H]1CCCN(CN2C[C@H](CC(C)C)CC2=O)C1 ZINC000842629592 631658018 /nfs/dbraw/zinc/65/80/18/631658018.db2.gz PTNIQUNBHDNDKL-JKSUJKDBSA-N 0 1 276.424 2.574 20 30 CFEDMN CCCON=Cc1ccc(N(CC)CC)cc1O ZINC000842565927 631664721 /nfs/dbraw/zinc/66/47/21/631664721.db2.gz QMUUQLURLKVHPH-UHFFFAOYSA-N 0 1 250.342 2.999 20 30 CFEDMN Cn1cc(C=NNc2ccccc2[N+](=O)[O-])c(C(F)F)n1 ZINC000812222745 631669492 /nfs/dbraw/zinc/66/94/92/631669492.db2.gz PBJZAVACXJUTPY-UHFFFAOYSA-N 0 1 295.249 2.712 20 30 CFEDMN Cn1cc(C=NNc2nc3ccccc3[nH]2)c(C(F)F)n1 ZINC000812223052 631669647 /nfs/dbraw/zinc/66/96/47/631669647.db2.gz VRUNNWQXAQMIBN-UHFFFAOYSA-N 0 1 290.277 2.680 20 30 CFEDMN CC(C)OCCON=Cc1cc(Cl)cc(F)c1O ZINC000812239532 631676570 /nfs/dbraw/zinc/67/65/70/631676570.db2.gz WJFVVTIUBGRUAK-UHFFFAOYSA-N 0 1 275.707 2.960 20 30 CFEDMN C#CC[C@@H]1CCCN(Cn2cnc(-c3ccccc3)n2)C1 ZINC000842629775 631685747 /nfs/dbraw/zinc/68/57/47/631685747.db2.gz RJPDVPORTMGDRV-OAHLLOKOSA-N 0 1 280.375 2.638 20 30 CFEDMN CC1(C)CCC[C@H]1[C@H]1CCN(Cn2cccc(C#N)c2=O)C1 ZINC000842635322 631688153 /nfs/dbraw/zinc/68/81/53/631688153.db2.gz MAZVZBSJZOBAEI-HOTGVXAUSA-N 0 1 299.418 2.826 20 30 CFEDMN CC(C)Cn1nccc1CNCc1ccc(OCC#N)cc1 ZINC000842676574 631703045 /nfs/dbraw/zinc/70/30/45/631703045.db2.gz ABUZKCZIEHWJPQ-UHFFFAOYSA-N 0 1 298.390 2.731 20 30 CFEDMN C=CCNC(=O)C(C#N)C(=O)C[C@@H](C)CCC=C(C)C ZINC000842687509 631707305 /nfs/dbraw/zinc/70/73/05/631707305.db2.gz XNNXFVQOWUEDNA-KBPBESRZSA-N 0 1 276.380 2.770 20 30 CFEDMN COC1(C(=O)[C@H](C#N)c2nc3cc(F)ccc3s2)CC1 ZINC000842711541 631713925 /nfs/dbraw/zinc/71/39/25/631713925.db2.gz GQWWUBZWROHHLI-VIFPVBQESA-N 0 1 290.319 2.791 20 30 CFEDMN C=CCCCCCCCNC(=O)N[C@H](C)c1nnc[nH]1 ZINC000812493887 631726769 /nfs/dbraw/zinc/72/67/69/631726769.db2.gz ZGEKWWQBCWMPSP-GFCCVEGCSA-N 0 1 279.388 2.692 20 30 CFEDMN CCc1cc(CNc2cc(C)c([N+](=O)[O-])cc2C#N)n[nH]1 ZINC000840260612 631737446 /nfs/dbraw/zinc/73/74/46/631737446.db2.gz LJNMXTSHYYZYJN-UHFFFAOYSA-N 0 1 285.307 2.673 20 30 CFEDMN C=CC[C@H](C(=O)NOCCOC(C)C)c1ccccc1 ZINC000812805354 631785477 /nfs/dbraw/zinc/78/54/77/631785477.db2.gz LYAIGXSFYAJEAL-HNNXBMFYSA-N 0 1 277.364 2.819 20 30 CFEDMN CCN1CCN(c2cc(C(F)(F)F)cnc2C#N)C[C@H]1C ZINC000840276052 631816147 /nfs/dbraw/zinc/81/61/47/631816147.db2.gz DUYWDVUSTJEWLR-SNVBAGLBSA-N 0 1 298.312 2.502 20 30 CFEDMN CC(C)C[C@](C)(C#N)NC(=O)[C@]1(F)CCN(C(C)(C)C)C1 ZINC000813061490 631822447 /nfs/dbraw/zinc/82/24/47/631822447.db2.gz JAJVQJMCXUVQFW-CVEARBPZSA-N 0 1 297.418 2.643 20 30 CFEDMN N#CC(C(=O)C[C@H]1CCOC1)c1cc(C(F)(F)F)ccn1 ZINC000813213047 631881524 /nfs/dbraw/zinc/88/15/24/631881524.db2.gz IDUJPUGFAQGVOP-KOLCDFICSA-N 0 1 298.264 2.703 20 30 CFEDMN C#CC1CCN(Cc2nc3c(s2)CCCC3)CC1 ZINC000843427019 631954625 /nfs/dbraw/zinc/95/46/25/631954625.db2.gz RFKPYGUOTJMOJW-UHFFFAOYSA-N 0 1 260.406 2.867 20 30 CFEDMN CC(C)[C@@H](C(=O)OCC#CC1CCCCC1)N(C)C ZINC000814092217 632009466 /nfs/dbraw/zinc/00/94/66/632009466.db2.gz APMLWMUZIICARO-HNNXBMFYSA-N 0 1 265.397 2.700 20 30 CFEDMN Cn1cc(C=[NH+][N-]c2ccccc2C(F)(F)F)c(=O)[nH]1 ZINC000814212311 632040029 /nfs/dbraw/zinc/04/00/29/632040029.db2.gz MZQYXPBVKILZBO-UHFFFAOYSA-N 0 1 284.241 2.591 20 30 CFEDMN C(=NOCCC1CC1)c1cc(-c2cccnc2)[nH]n1 ZINC000814246664 632045265 /nfs/dbraw/zinc/04/52/65/632045265.db2.gz BGYGSXJPLHMFJQ-UHFFFAOYSA-N 0 1 256.309 2.622 20 30 CFEDMN CCc1[nH+]ccn1[C@@H](C)CC(=O)Nc1cc(C#N)ccc1[O-] ZINC000843844310 632065894 /nfs/dbraw/zinc/06/58/94/632065894.db2.gz YVWYCKQKAKXJAC-NSHDSACASA-N 0 1 298.346 2.613 20 30 CFEDMN C=CCONC(=O)[C@H]1CCc2cc(Br)ccc21 ZINC000843900692 632075006 /nfs/dbraw/zinc/07/50/06/632075006.db2.gz CQVKEEQULYIWTQ-LBPRGKRZSA-N 0 1 296.164 2.713 20 30 CFEDMN C#CC1CCN(C(=O)c2cc(-c3ccccc3)[nH]n2)CC1 ZINC000844048240 632103264 /nfs/dbraw/zinc/10/32/64/632103264.db2.gz CQHBHLZILYAHTD-UHFFFAOYSA-N 0 1 279.343 2.562 20 30 CFEDMN CN(C[C@H]1CCN(C(=O)OC(C)(C)C)C1)CC(C)(C)C#N ZINC000814670567 632105809 /nfs/dbraw/zinc/10/58/09/632105809.db2.gz YWJDREDLVLUUEG-CYBMUJFWSA-N 0 1 295.427 2.725 20 30 CFEDMN Clc1cnc(NN=Cc2cocn2)c(Cl)c1 ZINC000814740674 632115935 /nfs/dbraw/zinc/11/59/35/632115935.db2.gz RGJZORNVPAPVIW-UHFFFAOYSA-N 0 1 257.080 2.822 20 30 CFEDMN Cc1cc(NN=Cc2ccc(Br)o2)nc(C)n1 ZINC000814807450 632129147 /nfs/dbraw/zinc/12/91/47/632129147.db2.gz WNFIKNPKKWQSKC-UHFFFAOYSA-N 0 1 295.140 2.895 20 30 CFEDMN CC(C)(C#N)[C@@H]1CCCC1=NNCCN1CCCCC1 ZINC000814808895 632129563 /nfs/dbraw/zinc/12/95/63/632129563.db2.gz USLYOYPQNSFWIA-CQSZACIVSA-N 0 1 276.428 2.768 20 30 CFEDMN Fc1ccc(NN=Cc2nc3c(s2)CCC3)nc1 ZINC000814842679 632137195 /nfs/dbraw/zinc/13/71/95/632137195.db2.gz NZYVTZUQIPTBPS-UHFFFAOYSA-N 0 1 262.313 2.612 20 30 CFEDMN CC(=NNc1c(F)cccc1F)c1csnn1 ZINC000814852481 632138898 /nfs/dbraw/zinc/13/88/98/632138898.db2.gz ANEFRXOUZDLASS-UHFFFAOYSA-N 0 1 254.265 2.652 20 30 CFEDMN OC[C@@H](CCF)/N=C\c1cc(Cl)cc(Cl)c1O ZINC000844271078 632150665 /nfs/dbraw/zinc/15/06/65/632150665.db2.gz LUZXIJKVHZIZCA-JRJICXHWSA-N 0 1 280.126 2.838 20 30 CFEDMN COC[C@@H](C)N=NC1CCCN(Cc2ccccc2)[C@H]1C ZINC000814895613 632152407 /nfs/dbraw/zinc/15/24/07/632152407.db2.gz PCHMXUNMAGANRA-CABCVRRESA-N 0 1 289.423 2.651 20 30 CFEDMN Cc1cc2ccccc2nc1NN=Cc1ccn(C)n1 ZINC000814896324 632153470 /nfs/dbraw/zinc/15/34/70/632153470.db2.gz SVHNKWSHLYRHQX-UHFFFAOYSA-N 0 1 265.320 2.723 20 30 CFEDMN C=CCN(Cc1ccc(C#N)cc1[N+](=O)[O-])C(C)C ZINC000844279787 632154178 /nfs/dbraw/zinc/15/41/78/632154178.db2.gz VIOSFDZQVHMBLE-UHFFFAOYSA-N 0 1 259.309 2.863 20 30 CFEDMN COc1cccc(N=NC2COc3cccc(Cl)c32)n1 ZINC000814900281 632155240 /nfs/dbraw/zinc/15/52/40/632155240.db2.gz LSTCLQOMTBREEK-UHFFFAOYSA-N 0 1 289.722 2.952 20 30 CFEDMN COc1ccc(F)c(CN=Nc2cccc(OC)n2)c1 ZINC000814900340 632155329 /nfs/dbraw/zinc/15/53/29/632155329.db2.gz OKDYPIYBEPDEKD-UHFFFAOYSA-N 0 1 275.283 2.684 20 30 CFEDMN Oc1cc(F)c(Cl)cc1C=NOC[C@H]1CCOC1 ZINC000814912191 632161869 /nfs/dbraw/zinc/16/18/69/632161869.db2.gz LQBBMCXJEIABFY-QMMMGPOBSA-N 0 1 273.691 2.572 20 30 CFEDMN CCC(N=Nc1cnn(C)c1)c1ccc(F)cc1F ZINC000814915170 632162687 /nfs/dbraw/zinc/16/26/87/632162687.db2.gz PVUNQQDGIUTINL-UHFFFAOYSA-N 0 1 264.279 2.925 20 30 CFEDMN COCCCON=C1CC[C@@H]2CNc3cccc1c32 ZINC000814931205 632170188 /nfs/dbraw/zinc/17/01/88/632170188.db2.gz NEQWWCWJNWVGJC-LLVKDONJSA-N 0 1 260.337 2.747 20 30 CFEDMN COc1ccc2c(c1)C(=NNc1ncn[nH]1)CCCS2 ZINC000814932181 632170214 /nfs/dbraw/zinc/17/02/14/632170214.db2.gz SZHXPTBTFAODMB-UHFFFAOYSA-N 0 1 289.364 2.515 20 30 CFEDMN C#CC1CCN(Cc2cc(OC(C)C)ccn2)CC1 ZINC000844347481 632175896 /nfs/dbraw/zinc/17/58/96/632175896.db2.gz QOYHLZJLXKSOFT-UHFFFAOYSA-N 0 1 258.365 2.714 20 30 CFEDMN CC(=NNc1cnnn1C)c1ccc(SC(F)F)cc1 ZINC000814981424 632184200 /nfs/dbraw/zinc/18/42/00/632184200.db2.gz HQNPLBJRBKVYPG-UHFFFAOYSA-N 0 1 297.334 2.966 20 30 CFEDMN CCc1cccc(C=NNCCN2CCCCC2)c1 ZINC000844577708 632252045 /nfs/dbraw/zinc/25/20/45/632252045.db2.gz OMRBALFBUQGETJ-UHFFFAOYSA-N 0 1 259.397 2.658 20 30 CFEDMN CCCCCNC(=O)C(C#N)C(=O)[C@@H]1CC2CCC1CC2 ZINC000815904949 632331660 /nfs/dbraw/zinc/33/16/60/632331660.db2.gz UMRZOSVRFIDCGO-NEXFUWMNSA-N 0 1 290.407 2.828 20 30 CFEDMN C=CCCCCOC(=O)[C@@H](NC(=O)C(F)(F)F)C(C)C ZINC000816088972 632369232 /nfs/dbraw/zinc/36/92/32/632369232.db2.gz BQZSNGBMTURPMU-JTQLQIEISA-N 0 1 295.301 2.589 20 30 CFEDMN N#C[C@@]1(F)CCN(Cc2cc(Cl)c(F)cc2O)C1 ZINC000816588043 632490174 /nfs/dbraw/zinc/49/01/74/632490174.db2.gz DULBUEQIFCOOOD-LBPRGKRZSA-N 0 1 272.682 2.622 20 30 CFEDMN COC[C@H](C)CC(=O)C(C#N)=C(O)C1(c2ccccc2)CC1 ZINC000845841051 632578645 /nfs/dbraw/zinc/57/86/45/632578645.db2.gz JKDZZEXUULQJOG-HIFRSBDPSA-N 0 1 299.370 2.669 20 30 CFEDMN N#CC(C(=O)C1(c2ccccc2)CC1)=C(O)[C@@H]1CCCCO1 ZINC000845840401 632578672 /nfs/dbraw/zinc/57/86/72/632578672.db2.gz BCTXTNAVWHMEDN-GJZGRUSLSA-N 0 1 297.354 2.565 20 30 CFEDMN N#CC1(CNCc2ccc3c(c2)CCO3)CCCC1 ZINC000846011937 632613583 /nfs/dbraw/zinc/61/35/83/632613583.db2.gz QIUCOEWMZCKKBL-UHFFFAOYSA-N 0 1 256.349 2.795 20 30 CFEDMN C=C(C)C[N@@H+](C)CCOc1ccc(/C=C\C(=O)[O-])cc1 ZINC000846253270 632674594 /nfs/dbraw/zinc/67/45/94/632674594.db2.gz GLIHCPQYDOCHKE-TWGQIWQCSA-N 0 1 275.348 2.671 20 30 CFEDMN C=CC[N@H+](CCOc1ccc(/C=C\C(=O)[O-])cc1)C1CC1 ZINC000846255670 632675561 /nfs/dbraw/zinc/67/55/61/632675561.db2.gz KYXLBVPBHPEQAT-YHYXMXQVSA-N 0 1 287.359 2.814 20 30 CFEDMN C=CC[N@@H+](CC(=O)[O-])Cc1cccc(Br)c1C ZINC000846262744 632676425 /nfs/dbraw/zinc/67/64/25/632676425.db2.gz JZTGVLVRHKJKCV-UHFFFAOYSA-N 0 1 298.180 2.830 20 30 CFEDMN N#C[C@H](C(=O)[C@@H]1CC12CC2)c1cnc2ccccc2n1 ZINC000817731578 632696546 /nfs/dbraw/zinc/69/65/46/632696546.db2.gz PFYZVHMQJHSNRV-QWRGUYRKSA-N 0 1 263.300 2.606 20 30 CFEDMN C=C[C@H](C)ONC(=O)Cc1csc(C(C)(C)C)n1 ZINC000846549118 632737316 /nfs/dbraw/zinc/73/73/16/632737316.db2.gz HWZUCYMYAKNNPS-VIFPVBQESA-N 0 1 268.382 2.605 20 30 CFEDMN C=C[C@H](C)ONC(=O)Cc1nc(-c2ccsc2)oc1C ZINC000846551093 632738355 /nfs/dbraw/zinc/73/83/55/632738355.db2.gz QYKBODNNLXTXOI-VIFPVBQESA-N 0 1 292.360 2.876 20 30 CFEDMN C=C[C@@H]1OCC[C@H]1C[NH2+]Cc1c([O-])cccc1Cl ZINC000818224495 632816017 /nfs/dbraw/zinc/81/60/17/632816017.db2.gz LHLHOXBVJBTCJD-HZMBPMFUSA-N 0 1 267.756 2.726 20 30 CFEDMN C=C(C)CN(Cc1ccccc1)C[C@H]1CN(CC)C(=O)O1 ZINC000846886467 632832909 /nfs/dbraw/zinc/83/29/09/632832909.db2.gz ZXMSDFWQOXPQRP-INIZCTEOSA-N 0 1 288.391 2.905 20 30 CFEDMN C=C(C)CN(Cc1ccccc1)C[C@@H]1CN(CC)C(=O)O1 ZINC000846886468 632833624 /nfs/dbraw/zinc/83/36/24/632833624.db2.gz ZXMSDFWQOXPQRP-MRXNPFEDSA-N 0 1 288.391 2.905 20 30 CFEDMN C#C[C@@H]1CCCN(Cc2ccc(OCC(F)(F)F)nc2)C1 ZINC000847018481 632883575 /nfs/dbraw/zinc/88/35/75/632883575.db2.gz KJBUXUQXMNUJFH-GFCCVEGCSA-N 0 1 298.308 2.868 20 30 CFEDMN C#C[C@H]1CCC[N@H+]([C@H](C)c2cc(C)c(C(=O)OC)o2)C1 ZINC000847020641 632884951 /nfs/dbraw/zinc/88/49/51/632884951.db2.gz CVRJWIPSSKICFG-OLZOCXBDSA-N 0 1 275.348 2.781 20 30 CFEDMN C#C[C@H]1CCCN([C@H](C)c2cc(C)c(C(=O)OC)o2)C1 ZINC000847020641 632884955 /nfs/dbraw/zinc/88/49/55/632884955.db2.gz CVRJWIPSSKICFG-OLZOCXBDSA-N 0 1 275.348 2.781 20 30 CFEDMN C#C[C@@H]1CCCN(CC(=O)N2CCC[C@H]3CCCC[C@H]32)C1 ZINC000847032669 632895673 /nfs/dbraw/zinc/89/56/73/632895673.db2.gz YKVANNADWVXWSM-BRWVUGGUSA-N 0 1 288.435 2.513 20 30 CFEDMN C#C[C@H]1CCCN([C@@H](C)C(=O)Nc2ccc(CC)cc2)C1 ZINC000847031777 632895777 /nfs/dbraw/zinc/89/57/77/632895777.db2.gz UTJFMXCDNKTJJG-HOCLYGCPSA-N 0 1 284.403 2.921 20 30 CFEDMN C#C[C@@H]1CCCN(CC(=O)N2CCC[C@H]3CCCC[C@@H]32)C1 ZINC000847032675 632896659 /nfs/dbraw/zinc/89/66/59/632896659.db2.gz YKVANNADWVXWSM-ZACQAIPSSA-N 0 1 288.435 2.513 20 30 CFEDMN C#C[C@H]1CCCN(Cc2cc(OC(C)C)ccn2)C1 ZINC000847038880 632899917 /nfs/dbraw/zinc/89/99/17/632899917.db2.gz ZCKPPQDTVBNFSF-AWEZNQCLSA-N 0 1 258.365 2.714 20 30 CFEDMN N#CCC[C@@H](C#N)CNCCCOc1ccccc1F ZINC000818943962 632912417 /nfs/dbraw/zinc/91/24/17/632912417.db2.gz DARPUWKJGHRLMM-ZDUSSCGKSA-N 0 1 275.327 2.628 20 30 CFEDMN C#CCCCN(CC(=O)OC(C)(C)C)C1CCC1 ZINC000847087913 632916634 /nfs/dbraw/zinc/91/66/34/632916634.db2.gz VGOGVQPEMWFQFG-UHFFFAOYSA-N 0 1 251.370 2.596 20 30 CFEDMN Cc1nn(C(C)C)cc1C(=O)Nc1cc(C#N)ccc1O ZINC000847615376 633009311 /nfs/dbraw/zinc/00/93/11/633009311.db2.gz BBBVSZWHGSAFHA-UHFFFAOYSA-N 0 1 284.319 2.602 20 30 CFEDMN CCCc1nc(C)c(CNC[C@@H](O)c2ccc(C#N)cc2)o1 ZINC000819330274 633083873 /nfs/dbraw/zinc/08/38/73/633083873.db2.gz ZMSJFGTVAVCPCA-OAHLLOKOSA-N 0 1 299.374 2.630 20 30 CFEDMN CCCc1nc(C)c(CNC[C@H](O)c2ccc(C#N)cc2)o1 ZINC000819330269 633084327 /nfs/dbraw/zinc/08/43/27/633084327.db2.gz ZMSJFGTVAVCPCA-HNNXBMFYSA-N 0 1 299.374 2.630 20 30 CFEDMN C#CCCC[C@H](C)OC(=O)[C@@]1(F)CCN(C(C)(C)C)C1 ZINC000847867283 633117630 /nfs/dbraw/zinc/11/76/30/633117630.db2.gz JNXVHWJXSJGREK-XJKSGUPXSA-N 0 1 283.387 2.934 20 30 CFEDMN CCCCCCCC(=O)NCc1n[nH]c([C@H]2CCCO2)n1 ZINC000848275191 633228532 /nfs/dbraw/zinc/22/85/32/633228532.db2.gz JPLCTHGGBFPVPK-GFCCVEGCSA-N 0 1 294.399 2.633 20 30 CFEDMN COc1ccc(CNN=C2CCCN3CCCC[C@@H]23)cc1 ZINC000848403388 633249582 /nfs/dbraw/zinc/24/95/82/633249582.db2.gz RXCKDGNAIIZWBY-KRWDZBQOSA-N 0 1 287.407 2.789 20 30 CFEDMN C=CCS(=O)(=O)CCNCc1ccccc1C(C)C ZINC000848548424 633286121 /nfs/dbraw/zinc/28/61/21/633286121.db2.gz XWYPHLWCDKMFSI-UHFFFAOYSA-N 0 1 281.421 2.500 20 30 CFEDMN N#Cc1ccc(C2(NCc3cncnc3)CCC2)cc1 ZINC000848568401 633291875 /nfs/dbraw/zinc/29/18/75/633291875.db2.gz HLEZRZPYJPHMTL-UHFFFAOYSA-N 0 1 264.332 2.517 20 30 CFEDMN C#C[C@H]1CCCN(Cc2cnc(N(CC)CC)s2)C1 ZINC000848923866 633406019 /nfs/dbraw/zinc/40/60/19/633406019.db2.gz RJRDYEIHDZAAPG-ZDUSSCGKSA-N 0 1 277.437 2.835 20 30 CFEDMN C#C[C@H]1CCCN(Cc2ccc(C)c([N+](=O)[O-])c2)C1 ZINC000848923256 633406214 /nfs/dbraw/zinc/40/62/14/633406214.db2.gz HHXAYEGCIGANQJ-ZDUSSCGKSA-N 0 1 258.321 2.748 20 30 CFEDMN C#C[C@@H]1CCCN(Cc2ccnn2-c2ccccc2OC)C1 ZINC000848923596 633406633 /nfs/dbraw/zinc/40/66/33/633406633.db2.gz GTOASSZVTSGQRD-OAHLLOKOSA-N 0 1 295.386 2.726 20 30 CFEDMN O=C(/C=C\c1cn(C2CCC2)nn1)c1ccccc1O ZINC000849246838 633589962 /nfs/dbraw/zinc/58/99/62/633589962.db2.gz LTDZHFRDMWGHHP-HJWRWDBZSA-N 0 1 269.304 2.605 20 30 CFEDMN C#CC[C@H]1CCC[N@H+]([C@H](C(=O)[O-])c2ccc(F)cc2)C1 ZINC000849344417 633622895 /nfs/dbraw/zinc/62/28/95/633622895.db2.gz LMQGBEPEDGTYPU-WFASDCNBSA-N 0 1 275.323 2.687 20 30 CFEDMN C#CC[C@@H]1CCC[N@H+]([C@H](C(=O)[O-])c2ccsc2)C1 ZINC000849344269 633623103 /nfs/dbraw/zinc/62/31/03/633623103.db2.gz HDPPOOUAHKJYMS-YPMHNXCESA-N 0 1 263.362 2.609 20 30 CFEDMN C=C(Cl)C[N@@H+]1CC[C@H](C(=O)[O-])[C@@H]2CCCC[C@H]21 ZINC000849346716 633624834 /nfs/dbraw/zinc/62/48/34/633624834.db2.gz XXVPLIJBXJVLTM-SDDRHHMPSA-N 0 1 257.761 2.704 20 30 CFEDMN C#CCC1(C(=O)O[C@@H](C)c2n[nH]c(CC)n2)CCCCC1 ZINC000849760344 633706542 /nfs/dbraw/zinc/70/65/42/633706542.db2.gz FPGHSZSANYSFEU-LBPRGKRZSA-N 0 1 289.379 2.945 20 30 CFEDMN C#C[C@@H](NCc1ccc(OCC)cc1C)[C@@H]1CCCO1 ZINC000850251355 633912956 /nfs/dbraw/zinc/91/29/56/633912956.db2.gz UCZGOBSSVGJXBS-SJORKVTESA-N 0 1 273.376 2.664 20 30 CFEDMN C#CCOc1cccc(Cl)c1CN[C@@H](C)C1(CO)CC1 ZINC000850361829 633956680 /nfs/dbraw/zinc/95/66/80/633956680.db2.gz VZDQILSKVXVLLC-LBPRGKRZSA-N 0 1 293.794 2.603 20 30 CFEDMN N#Cc1ccc(CN[C@H]2C[C@@H](O)c3ccccc32)s1 ZINC000850371618 633960953 /nfs/dbraw/zinc/96/09/53/633960953.db2.gz LFUBHVREKRJWLA-LSDHHAIUSA-N 0 1 270.357 2.888 20 30 CFEDMN COc1cccc(O)c1CNCC1(C#N)CCCCC1 ZINC000850390459 633972961 /nfs/dbraw/zinc/97/29/61/633972961.db2.gz HZSWKXDLKDGFDP-UHFFFAOYSA-N 0 1 274.364 2.964 20 30 CFEDMN COc1ccc(CN[C@@H](c2ccccc2)[C@H](C)O)cc1C#N ZINC000850420354 633985536 /nfs/dbraw/zinc/98/55/36/633985536.db2.gz NBZVCCNQIIGQSW-SCLBCKFNSA-N 0 1 296.370 2.779 20 30 CFEDMN N#CC(C(=O)C1CCC(C2CC2)CC1)C(=O)N1CCCC1 ZINC000850751482 634079502 /nfs/dbraw/zinc/07/95/02/634079502.db2.gz CKTZQVBACSTDTM-NRXISQOPSA-N 0 1 288.391 2.534 20 30 CFEDMN C=CCNC(=O)C(C#N)C(=O)[C@H]1CC[C@H](C2CCC2)CC1 ZINC000850759526 634081660 /nfs/dbraw/zinc/08/16/60/634081660.db2.gz KDQAOMPSJDUFKX-KKUMJFAQSA-N 0 1 288.391 2.604 20 30 CFEDMN N#C[C@H](C(=O)C[C@]12CCCC[C@H]1C2(F)F)c1ccncn1 ZINC000850948345 634149603 /nfs/dbraw/zinc/14/96/03/634149603.db2.gz RJPNDTVKXIPHCY-ZLKJLUDKSA-N 0 1 291.301 2.868 20 30 CFEDMN C#CCOCCSc1nc(-c2ccc(C)cc2)n[nH]1 ZINC000853014498 634875674 /nfs/dbraw/zinc/87/56/74/634875674.db2.gz SSOPHFQJQJZZCY-UHFFFAOYSA-N 0 1 273.361 2.522 20 30 CFEDMN CCCCCCCCCNC(=O)N(C)CC1CN(C)C1 ZINC000853247518 634950282 /nfs/dbraw/zinc/95/02/82/634950282.db2.gz RUWZSRJTMVLHHL-UHFFFAOYSA-N 0 1 283.460 2.940 20 30 CFEDMN Fc1ccc(C=NNCCN2CCCCC2)c(F)c1F ZINC000853292081 634960786 /nfs/dbraw/zinc/96/07/86/634960786.db2.gz STOZRAKXZPMSHV-UHFFFAOYSA-N 0 1 285.313 2.513 20 30 CFEDMN Cc1ccnc(NN=Cc2c(C3CCC3)cnn2C)c1 ZINC000853317432 634966477 /nfs/dbraw/zinc/96/64/77/634966477.db2.gz YFQJFACAPVUUEB-UHFFFAOYSA-N 0 1 269.352 2.837 20 30 CFEDMN Clc1cccc(NN=Cc2ccnn2CC2CC2)n1 ZINC000853349632 634979585 /nfs/dbraw/zinc/97/95/85/634979585.db2.gz CWAVEETXBCAPPH-UHFFFAOYSA-N 0 1 275.743 2.788 20 30 CFEDMN C[C@H](NN=C1C(=O)Nc2cc(O)c(Cl)cc21)C(C)(C)C ZINC000853349724 634979869 /nfs/dbraw/zinc/97/98/69/634979869.db2.gz GNEXZALUANZEIJ-ZETCQYMHSA-N 0 1 295.770 2.726 20 30 CFEDMN CC[C@@H](C)CON=Cc1ccnn1-c1ccncc1 ZINC000853350594 634980682 /nfs/dbraw/zinc/98/06/82/634980682.db2.gz VLZWTCUAGMUHSP-GFCCVEGCSA-N 0 1 258.325 2.664 20 30 CFEDMN C=CC1CCN(C[C@@H](O)c2c(F)cccc2F)CC1 ZINC000111259994 634983462 /nfs/dbraw/zinc/98/34/62/634983462.db2.gz IHLQGQGGDPWRBX-CQSZACIVSA-N 0 1 267.319 2.896 20 30 CFEDMN Cc1nn(-c2ccccc2)c(N)c1C=NN1CCCC[C@@H]1C ZINC000853382237 634989243 /nfs/dbraw/zinc/98/92/43/634989243.db2.gz VYMKXLQJMMBYPG-ZDUSSCGKSA-N 0 1 297.406 2.971 20 30 CFEDMN C#CC1CCN(CN2CC[C@@H](C3CCCCC3)C2=O)CC1 ZINC000853518668 635026439 /nfs/dbraw/zinc/02/64/39/635026439.db2.gz LWDNESSBLUQCMU-KRWDZBQOSA-N 0 1 288.435 2.718 20 30 CFEDMN C[C@@]1(C#N)CCN(Cc2c(O)ccc3ccncc32)C1 ZINC000853596459 635045114 /nfs/dbraw/zinc/04/51/14/635045114.db2.gz HKBANGUDVDLLTB-INIZCTEOSA-N 0 1 267.332 2.676 20 30 CFEDMN C=C1C[C@H]2CC[C@@H](C1)N2CN1C(=O)[C@H](C2CC2)[C@@H]1C1CC1 ZINC000853598472 635046508 /nfs/dbraw/zinc/04/65/08/635046508.db2.gz RQSBDPTXJDJWSG-TWMKSMIVSA-N 0 1 286.419 2.774 20 30 CFEDMN C#Cc1ccc(NC(=O)[C@H](C(C)C)N(C)C)c(Cl)c1 ZINC000885671586 635245371 /nfs/dbraw/zinc/24/53/71/635245371.db2.gz PMNVYFLGWLSXFN-AWEZNQCLSA-N 0 1 278.783 2.846 20 30 CFEDMN CCCCCCCCCC(=O)N(C)Cc1nnc[nH]1 ZINC000113011723 635461168 /nfs/dbraw/zinc/46/11/68/635461168.db2.gz GFJMUHLCMBXFBL-UHFFFAOYSA-N 0 1 266.389 2.904 20 30 CFEDMN C#Cc1ccc(NC(=O)CCN2CC[C@H](C)[C@H](F)C2)cc1 ZINC000930244708 635481074 /nfs/dbraw/zinc/48/10/74/635481074.db2.gz OTWUFOFEFSTGTI-XJKSGUPXSA-N 0 1 288.366 2.676 20 30 CFEDMN C#CCOc1ccc(CNCc2ccc([N+](=O)[O-])cc2)cc1 ZINC000113325068 635553523 /nfs/dbraw/zinc/55/35/23/635553523.db2.gz LURBVSNCVHERBZ-UHFFFAOYSA-N 0 1 296.326 2.897 20 30 CFEDMN CC[C@H](C#N)Oc1cccc(CNCc2c(C)n[nH]c2C)c1 ZINC000113961695 635747841 /nfs/dbraw/zinc/74/78/41/635747841.db2.gz NJDQMQWNJKESQN-OAHLLOKOSA-N 0 1 298.390 2.997 20 30 CFEDMN Cc1ccc(O[C@H]2CCN(CC#Cc3ccccc3)C2)nc1 ZINC000858041820 636117822 /nfs/dbraw/zinc/11/78/22/636117822.db2.gz WDVRJBAWUWRSFR-SFHVURJKSA-N 0 1 292.382 2.895 20 30 CFEDMN N#CCCCN1CC[C@@H](Oc2ccc(C3CC3)cn2)C1 ZINC000858045050 636119270 /nfs/dbraw/zinc/11/92/70/636119270.db2.gz YKMKCDXFBYRFAG-OAHLLOKOSA-N 0 1 271.364 2.716 20 30 CFEDMN CCCCCCCCCC(=O)N1CCN[C@H](C)C1 ZINC000116309227 636336585 /nfs/dbraw/zinc/33/65/85/636336585.db2.gz NYAAZRIODZXUEZ-CQSZACIVSA-N 0 1 254.418 2.947 20 30 CFEDMN C=CC[C@H]1CCN(CC(=O)OCc2ccccc2)C1 ZINC000859444150 636564386 /nfs/dbraw/zinc/56/43/86/636564386.db2.gz FDYIYTLFJWUHRU-AWEZNQCLSA-N 0 1 259.349 2.628 20 30 CFEDMN Cc1ccc(COC(=O)CN2[C@H](C)CC[C@@H]2C)cc1C#N ZINC000859664050 636643462 /nfs/dbraw/zinc/64/34/62/636643462.db2.gz WXYRISCPLPWYNU-OKILXGFUSA-N 0 1 286.375 2.783 20 30 CFEDMN C=CCN1CC[C@@H](NC(=O)c2c(C)cccc2Cl)C1 ZINC001015656184 651207791 /nfs/dbraw/zinc/20/77/91/651207791.db2.gz IZTSJGKHWDEJHE-GFCCVEGCSA-N 0 1 278.783 2.639 20 30 CFEDMN C#CCOCCNC1(c2c(F)cccc2F)CCC1 ZINC000860204575 636826453 /nfs/dbraw/zinc/82/64/53/636826453.db2.gz HYKIMSRVJDKTNA-UHFFFAOYSA-N 0 1 265.303 2.583 20 30 CFEDMN CCCC[C@H](CC)CC(=O)C(C#N)C(=O)N1CCCC1 ZINC000117531888 636896678 /nfs/dbraw/zinc/89/66/78/636896678.db2.gz XBAYHUBRCXPMEJ-UONOGXRCSA-N 0 1 278.396 2.924 20 30 CFEDMN CCO[C@@H](C(=O)C(C#N)c1cnc2ccccc2n1)C1CC1 ZINC000860702638 636950822 /nfs/dbraw/zinc/95/08/22/636950822.db2.gz FIYROLAOIPEVMU-SJKOYZFVSA-N 0 1 295.342 2.621 20 30 CFEDMN CCC(C#N)(CC)C(=O)OC[C@@H]1CC[N@H+]1C(C)(C)C ZINC000860852011 636990142 /nfs/dbraw/zinc/99/01/42/636990142.db2.gz MDFYIVZOZKCAIJ-LBPRGKRZSA-N 0 1 266.385 2.732 20 30 CFEDMN C#CC[C@H](COC)OC(=O)c1[nH]c(-c2ccccc2)nc1C ZINC000861282137 637147671 /nfs/dbraw/zinc/14/76/71/637147671.db2.gz LORLZKOCZUNBPO-CQSZACIVSA-N 0 1 298.342 2.580 20 30 CFEDMN C=C[C@H](CC(=O)OCCN1CCC1)c1ccccc1 ZINC000861388758 637187660 /nfs/dbraw/zinc/18/76/60/637187660.db2.gz OLWQGUYPPWLNML-CQSZACIVSA-N 0 1 259.349 2.595 20 30 CFEDMN CC(C)(C(=O)NOC/C=C\Cl)c1ccc(C#N)cc1 ZINC000861782731 637235820 /nfs/dbraw/zinc/23/58/20/637235820.db2.gz IODQSKKZVXPYDB-BAQGIRSFSA-N 0 1 278.739 2.636 20 30 CFEDMN C#CCONC(=O)[C@H](CC)c1ccc(Br)cc1 ZINC000862183769 637284374 /nfs/dbraw/zinc/28/43/74/637284374.db2.gz LASJIFWCVLFLRN-GFCCVEGCSA-N 0 1 296.164 2.624 20 30 CFEDMN C#CCONC(=O)[C@H](CCC)c1cccc(Cl)c1 ZINC000862184473 637285650 /nfs/dbraw/zinc/28/56/50/637285650.db2.gz RGIHUIIWZXPHCZ-CYBMUJFWSA-N 0 1 265.740 2.905 20 30 CFEDMN CCOC(=O)c1[nH]c(C)c(CN2CCC(C#N)CC2)c1C ZINC000862236052 637294339 /nfs/dbraw/zinc/29/43/39/637294339.db2.gz HQSTVQMFNMNKDU-UHFFFAOYSA-N 0 1 289.379 2.544 20 30 CFEDMN C#CC1CC[NH+](Cc2c([O-])cccc2Br)CC1 ZINC000862400325 637357303 /nfs/dbraw/zinc/35/73/03/637357303.db2.gz UREVKDODPONLLN-UHFFFAOYSA-N 0 1 294.192 3.000 20 30 CFEDMN C#CC[C@H]1CCN(Cc2ccc([N+](=O)[O-])cc2F)C1 ZINC000862444459 637385095 /nfs/dbraw/zinc/38/50/95/637385095.db2.gz AOLQGHLVBDWPNQ-NSHDSACASA-N 0 1 262.284 2.579 20 30 CFEDMN C#CC[C@@H]1CCN(Cc2ccc(Br)o2)C1 ZINC000862445671 637387414 /nfs/dbraw/zinc/38/74/14/637387414.db2.gz ZFKPBCINDFTTBO-SNVBAGLBSA-N 0 1 268.154 2.887 20 30 CFEDMN C#CC[C@H]1CCN(Cc2cccc(O)c2Br)C1 ZINC000862448327 637389796 /nfs/dbraw/zinc/38/97/96/637389796.db2.gz XDOJZNFQJMCKHN-NSHDSACASA-N 0 1 294.192 3.000 20 30 CFEDMN C#CCOc1ccc(CN2CC(Cc3ccco3)C2)cc1 ZINC000862486483 637400286 /nfs/dbraw/zinc/40/02/86/637400286.db2.gz FPQFXJIKGMJPBP-UHFFFAOYSA-N 0 1 281.355 2.966 20 30 CFEDMN C#CC[C@@H]1CCN(C(=O)[C@H](c2ccccc2)N(C)CC)C1 ZINC000862566711 637433360 /nfs/dbraw/zinc/43/33/60/637433360.db2.gz SXWWNRDVXOBXID-WBVHZDCISA-N 0 1 284.403 2.551 20 30 CFEDMN CCc1[nH]nc(Cl)c1C=N[N-]c1cc(C)cc[nH+]1 ZINC000863101532 637554679 /nfs/dbraw/zinc/55/46/79/637554679.db2.gz XGQQRYRQOLZEPA-UHFFFAOYSA-N 0 1 263.732 2.775 20 30 CFEDMN CCc1[nH]nc(Cl)c1C=NNc1nccnc1C(C)C ZINC000863110691 637558916 /nfs/dbraw/zinc/55/89/16/637558916.db2.gz ZILJFEMPVJIQSD-UHFFFAOYSA-N 0 1 292.774 2.985 20 30 CFEDMN C[C@@H]1CC(N=Nc2nc3ccccc3[nH]c2=S)CN1C ZINC000863129672 637567174 /nfs/dbraw/zinc/56/71/74/637567174.db2.gz WMPZIFCIFMCMND-SECBINFHSA-N 0 1 287.392 2.784 20 30 CFEDMN COc1ccc(C(C)=NNc2ccncc2C)c(OC)c1 ZINC000863157931 637571242 /nfs/dbraw/zinc/57/12/42/637571242.db2.gz VLHLFPUSNKPZOP-UHFFFAOYSA-N 0 1 285.347 2.665 20 30 CFEDMN CC(=NNc1ccncc1C)c1nc2c(s1)CCCC2 ZINC000863157955 637571348 /nfs/dbraw/zinc/57/13/48/637571348.db2.gz WSEJPENKPSTNFY-UHFFFAOYSA-N 0 1 286.404 2.983 20 30 CFEDMN Cc1nc(C(C)N=Nc2ccnc(C(F)(F)F)c2)cn1C ZINC000863179385 637580694 /nfs/dbraw/zinc/58/06/94/637580694.db2.gz VDALWRFVCREBHI-UHFFFAOYSA-N 0 1 297.284 2.978 20 30 CFEDMN N#CC1(CNC[C@@H](O)c2ccc(F)cc2)CCCCC1 ZINC000863576373 637699695 /nfs/dbraw/zinc/69/96/95/637699695.db2.gz PIKCVIYTOFQOJA-OAHLLOKOSA-N 0 1 276.355 2.923 20 30 CFEDMN C=C(C)C[C@@H]([NH2+]Cc1nc2ccccc2n1CC)C(=O)[O-] ZINC000864529537 638013389 /nfs/dbraw/zinc/01/33/89/638013389.db2.gz JDUJDZURQVHNCU-CYBMUJFWSA-N 0 1 287.363 2.565 20 30 CFEDMN C=C(C)C[C@H]([NH2+]Cc1c[nH]c(-c2ccccc2)n1)C(=O)[O-] ZINC000864530028 638013441 /nfs/dbraw/zinc/01/34/41/638013441.db2.gz QVLNRERRASVCRR-AWEZNQCLSA-N 0 1 285.347 2.586 20 30 CFEDMN CCC[C@@H](C)C(=O)C(C#N)C(=O)NC1CCCCC1 ZINC000076826844 650406143 /nfs/dbraw/zinc/40/61/43/650406143.db2.gz WZCRYDKTSNBEEM-YPMHNXCESA-N 0 1 264.369 2.580 20 30 CFEDMN CN(C)c1ccc(C#N)cc1CNCc1ccsc1 ZINC000865413930 638319946 /nfs/dbraw/zinc/31/99/46/638319946.db2.gz DDKYRGCJHPLBEJ-UHFFFAOYSA-N 0 1 271.389 2.976 20 30 CFEDMN C#C[C@@H](NCc1cnc2c(F)cccc2c1)[C@@H]1CCCO1 ZINC000865531133 638401065 /nfs/dbraw/zinc/40/10/65/638401065.db2.gz HHXSICUYOGXXEO-CVEARBPZSA-N 0 1 284.334 2.644 20 30 CFEDMN Cc1cc(CNCc2cc(C#N)ccc2N(C)C)ccn1 ZINC000865584231 638439061 /nfs/dbraw/zinc/43/90/61/638439061.db2.gz MPNHWRIUGZYWTP-UHFFFAOYSA-N 0 1 280.375 2.618 20 30 CFEDMN C#Cc1cccc(CNCc2cnc(CCOC)s2)c1 ZINC000865592857 638445474 /nfs/dbraw/zinc/44/54/74/638445474.db2.gz APVQOFXAXAPJHH-UHFFFAOYSA-N 0 1 286.400 2.603 20 30 CFEDMN C[C@@H]1CN(C)[C@@H](C)CN1c1cc(C(F)(F)F)cc(C#N)n1 ZINC000865652528 638489142 /nfs/dbraw/zinc/48/91/42/638489142.db2.gz AUASJDZAGJKOLE-VHSXEESVSA-N 0 1 298.312 2.501 20 30 CFEDMN C[C@H](C#N)Oc1ccc(CNCc2ccnc(F)c2)cc1 ZINC000865723278 638536736 /nfs/dbraw/zinc/53/67/36/638536736.db2.gz WWGPXWOFSFPICR-GFCCVEGCSA-N 0 1 285.322 2.801 20 30 CFEDMN CC[C@@H]1CN(C)CCN1c1cc(C(F)(F)F)cc(C#N)n1 ZINC000865836541 638600911 /nfs/dbraw/zinc/60/09/11/638600911.db2.gz JBQOBENSTPMPFT-GFCCVEGCSA-N 0 1 298.312 2.502 20 30 CFEDMN C#C[C@H]1CCCN(c2ccncc2C(F)(F)F)C1 ZINC000865916801 638655852 /nfs/dbraw/zinc/65/58/52/638655852.db2.gz SWEZHSGOMZVGEO-JTQLQIEISA-N 0 1 254.255 2.950 20 30 CFEDMN CC[C@H]1CN(C)CCCN1c1snc(Cl)c1C#N ZINC000865925272 638659142 /nfs/dbraw/zinc/65/91/42/638659142.db2.gz GKCFLRDRYDLBFG-VIFPVBQESA-N 0 1 284.816 2.589 20 30 CFEDMN C[C@H]([NH2+]CC(C)(C)CN(C)C)c1cccc(C#N)c1[O-] ZINC000866213819 638771932 /nfs/dbraw/zinc/77/19/32/638771932.db2.gz ZQPPJCXMEQAFPI-LBPRGKRZSA-N 0 1 275.396 2.502 20 30 CFEDMN CC(C)N1CCC([NH2+][C@@H](C)c2cccc(C#N)c2[O-])CC1 ZINC000866290454 638790184 /nfs/dbraw/zinc/79/01/84/638790184.db2.gz XVOSMMQIOBVJGF-ZDUSSCGKSA-N 0 1 287.407 2.787 20 30 CFEDMN Cc1cc(C[C@@H](C)[NH2+][C@H](C)c2cccc(C#N)c2[O-])n[nH]1 ZINC000866307226 638794103 /nfs/dbraw/zinc/79/41/03/638794103.db2.gz UWSTWRKIHVGKRQ-ZYHUDNBSSA-N 0 1 284.363 2.577 20 30 CFEDMN CC[C@H]1CCCCN1C(=O)[C@@H]1NCCc2cc(C#N)ccc21 ZINC000867941509 638907214 /nfs/dbraw/zinc/90/72/14/638907214.db2.gz GSGPIMLHPIGFPI-DOTOQJQBSA-N 0 1 297.402 2.536 20 30 CFEDMN C[C@H]1CCCCCN1C(=O)[C@H]1NCCc2cc(C#N)ccc21 ZINC000867948335 638908208 /nfs/dbraw/zinc/90/82/08/638908208.db2.gz SVEILWCKSVTDTI-GUYCJALGSA-N 0 1 297.402 2.536 20 30 CFEDMN CN(CC(C)(C)C#N)C(=O)c1c(Cl)[nH]nc1C1CC1 ZINC000868559274 638956196 /nfs/dbraw/zinc/95/61/96/638956196.db2.gz UGZWFASQTVWBJX-UHFFFAOYSA-N 0 1 280.759 2.562 20 30 CFEDMN C#CCCCCCOC(=O)C(C)(C)N1CCCC1 ZINC000869516980 639272298 /nfs/dbraw/zinc/27/22/98/639272298.db2.gz CNPVTUUSEWGNEW-UHFFFAOYSA-N 0 1 251.370 2.598 20 30 CFEDMN CCCCCCNC(=O)C(C#N)C(=O)[C@@H]1C[C@@H]1[C@@H]1C[C@@H]1C ZINC000870134262 639527707 /nfs/dbraw/zinc/52/77/07/639527707.db2.gz LYCHTXJOBSJUIF-NJVJYBDUSA-N 0 1 290.407 2.684 20 30 CFEDMN Cc1cc(C(C#N)C(=O)[C@@H]2C[C@@H]2[C@@H]2C[C@H]2C)nc(C)n1 ZINC000870135606 639527781 /nfs/dbraw/zinc/52/77/81/639527781.db2.gz AUHURNOIQNXGSI-OJGWYHNPSA-N 0 1 269.348 2.562 20 30 CFEDMN C[C@@H]1C[C@H](C(=O)C(C#N)c2nc3ccccc3o2)[C@H](C)O1 ZINC000870162806 639530224 /nfs/dbraw/zinc/53/02/24/639530224.db2.gz NMELFPTVUAHVDY-NOOOWODRSA-N 0 1 284.315 2.818 20 30 CFEDMN C#CCN1CCC(N(C)C(=O)c2ccoc2C(C)C)CC1 ZINC001006458836 650511442 /nfs/dbraw/zinc/51/14/42/650511442.db2.gz QUOKIZAILJPFAH-UHFFFAOYSA-N 0 1 288.391 2.573 20 30 CFEDMN CC[C@@H](CC(F)(F)F)C(=O)NOc1cccc(C#N)c1 ZINC000870690836 639773298 /nfs/dbraw/zinc/77/32/98/639773298.db2.gz VFMOPAMKBVXMCG-JTQLQIEISA-N 0 1 286.253 2.947 20 30 CFEDMN CC(C)C[C@@H](C)OCCC(=O)NOc1cccc(C#N)c1 ZINC000870691217 639773390 /nfs/dbraw/zinc/77/33/90/639773390.db2.gz HOMBYGHSACXCNV-CYBMUJFWSA-N 0 1 290.363 2.810 20 30 CFEDMN CC(C)C[C@H](C)OCCC(=O)NOc1cccc(C#N)c1 ZINC000870691218 639773860 /nfs/dbraw/zinc/77/38/60/639773860.db2.gz HOMBYGHSACXCNV-ZDUSSCGKSA-N 0 1 290.363 2.810 20 30 CFEDMN N#Cc1cccc(ONC(=O)C23CC(C(F)(F)F)(C2)C3)c1 ZINC000870690673 639773868 /nfs/dbraw/zinc/77/38/68/639773868.db2.gz CHGXITUXAYSQOS-UHFFFAOYSA-N 0 1 296.248 2.701 20 30 CFEDMN C#CCNC(=O)[C@H](C)N(C)Cc1c(CC)oc2ccccc21 ZINC000192548730 650572055 /nfs/dbraw/zinc/57/20/55/650572055.db2.gz GSIGZNVZVWPDJX-ZDUSSCGKSA-N 0 1 298.386 2.565 20 30 CFEDMN C#CCSc1nc(-c2cc(Cl)ccc2OC)n[nH]1 ZINC000192874588 650605055 /nfs/dbraw/zinc/60/50/55/650605055.db2.gz BBODCAYPRADLTN-UHFFFAOYSA-N 0 1 279.752 2.859 20 30 CFEDMN CSCCCCC(=O)Nc1nc2ccc(C#N)cc2[nH]1 ZINC000871070841 641184806 /nfs/dbraw/zinc/18/48/06/641184806.db2.gz OKPCXTKNWFYLOQ-UHFFFAOYSA-N 0 1 288.376 2.906 20 30 CFEDMN N#Cc1ccc2nc(NC(=O)[C@H]3CC34CCC4)[nH]c2c1 ZINC000871073337 641188311 /nfs/dbraw/zinc/18/83/11/641188311.db2.gz YEQGVCPWGOMWCQ-SNVBAGLBSA-N 0 1 266.304 2.563 20 30 CFEDMN C[C@H](CC(F)(F)F)C(=O)Nc1nc2ccc(C#N)cc2[nH]1 ZINC000871073386 641188379 /nfs/dbraw/zinc/18/83/79/641188379.db2.gz ZRMLDOZLPBRZNK-SSDOTTSWSA-N 0 1 296.252 2.962 20 30 CFEDMN CC(C)(C(=O)NOCc1ccc(C#N)o1)c1ccccc1 ZINC000871730196 641427264 /nfs/dbraw/zinc/42/72/64/641427264.db2.gz UBHLNHBWBWFFBD-UHFFFAOYSA-N 0 1 284.315 2.677 20 30 CFEDMN CC(C)(c1nc([C@H]2CCCN2)no1)c1ccc(C#N)cc1 ZINC000871788608 641457520 /nfs/dbraw/zinc/45/75/20/641457520.db2.gz NEVPACOXZSIXIF-CYBMUJFWSA-N 0 1 282.347 2.692 20 30 CFEDMN N#Cc1ccc(Cn2[nH]c(C3CCCC3)cc2=O)cc1 ZINC000871954635 641528081 /nfs/dbraw/zinc/52/80/81/641528081.db2.gz BAANBBYMUCTCHH-UHFFFAOYSA-N 0 1 267.332 2.837 20 30 CFEDMN CC[C@@H]1C(=O)N(c2cc(C#N)cc(Cl)n2)N=C1C(C)C ZINC000871954768 641528695 /nfs/dbraw/zinc/52/86/95/641528695.db2.gz NFMBIRDGVIPJQT-JTQLQIEISA-N 0 1 290.754 2.991 20 30 CFEDMN C=CCNC(=O)CN[C@@H]1CC(C)(C)Sc2ccccc21 ZINC000872058269 641592308 /nfs/dbraw/zinc/59/23/08/641592308.db2.gz QEPWGVRKOBROGE-CYBMUJFWSA-N 0 1 290.432 2.894 20 30 CFEDMN C=CCC[C@H](CO)N[C@@H](C)c1c(F)cccc1[N+](=O)[O-] ZINC000872079171 641612430 /nfs/dbraw/zinc/61/24/30/641612430.db2.gz VUMSOEQAOLIFIY-WDEREUQCSA-N 0 1 282.315 2.712 20 30 CFEDMN Cc1nccnc1[C@@H](C)N[C@H]1CCc2ccc(C#N)cc21 ZINC000872132681 641660357 /nfs/dbraw/zinc/66/03/57/641660357.db2.gz HDQAGWFGTPYOIS-WBMJQRKESA-N 0 1 278.359 2.995 20 30 CFEDMN C=CCCCC[N@@H+]1C[C@@H](C(=O)[O-])[C@H](C(F)(F)F)C1 ZINC000872168102 641688417 /nfs/dbraw/zinc/68/84/17/641688417.db2.gz NNQSQQXJAGAMQB-NXEZZACHSA-N 0 1 265.275 2.538 20 30 CFEDMN N#CCC[C@H](C#N)CN1CCC[C@@H](OC2CCC2)CC1 ZINC000872274750 641733120 /nfs/dbraw/zinc/73/31/20/641733120.db2.gz BLCOXMSLPMJJQT-GDBMZVCRSA-N 0 1 275.396 2.854 20 30 CFEDMN C[C@@H]1C(N=Nc2cccc(C(F)(F)F)n2)CCN1C ZINC000872354323 641763907 /nfs/dbraw/zinc/76/39/07/641763907.db2.gz QKNNXRZXHGEVGF-MRVPVSSYSA-N 0 1 272.274 2.592 20 30 CFEDMN CC(=NNC1=NC[C@@H](C)N1)c1ccc(C2CCC2)cc1 ZINC000872364217 641770387 /nfs/dbraw/zinc/77/03/87/641770387.db2.gz GJQNUKRQMDPCDY-LLVKDONJSA-N 0 1 270.380 2.615 20 30 CFEDMN C#CCCOC(=O)N1CCC[C@@H](c2cc(C(C)C)[nH]n2)C1 ZINC000872525746 641844189 /nfs/dbraw/zinc/84/41/89/641844189.db2.gz SGSKQBADZBGMOZ-CYBMUJFWSA-N 0 1 289.379 2.872 20 30 CFEDMN Cc1ccn(CN(C)C[C@@H](C)C(C)(C)C)c(=O)c1C#N ZINC000872817784 641945644 /nfs/dbraw/zinc/94/56/44/641945644.db2.gz BWHUFJBOYDYJIB-CYBMUJFWSA-N 0 1 275.396 2.600 20 30 CFEDMN C#CCN(Cc1ccc(F)cc1)C[C@@H](O)CCC=C ZINC000124446339 642093129 /nfs/dbraw/zinc/09/31/29/642093129.db2.gz HIFLSHDKMBZRQS-INIZCTEOSA-N 0 1 261.340 2.588 20 30 CFEDMN Cc1ncc(C(=O)C(C#N)C(=O)Nc2cccc(C)c2)s1 ZINC000194680229 650723407 /nfs/dbraw/zinc/72/34/07/650723407.db2.gz ILJGGGBGVSYEJF-GFCCVEGCSA-N 0 1 299.355 2.721 20 30 CFEDMN Cc1cc(F)c(C#N)cc1NC(=O)CN1[C@@H](C)CC[C@@H]1C ZINC000874900568 642546020 /nfs/dbraw/zinc/54/60/20/642546020.db2.gz MVKMKLQRRBRBGM-RYUDHWBXSA-N 0 1 289.354 2.817 20 30 CFEDMN CCC[C@@H](C#N)NC(=O)C(F)(F)c1cc(F)cc(F)c1 ZINC000875497692 642630893 /nfs/dbraw/zinc/63/08/93/642630893.db2.gz DHKQNSYSSHPGLU-NSHDSACASA-N 0 1 288.244 2.865 20 30 CFEDMN C=C(C)COCCNCc1cc([N+](=O)[O-])ccc1Cl ZINC000125774083 642778796 /nfs/dbraw/zinc/77/87/96/642778796.db2.gz ZNPMJIKYUHOZJN-UHFFFAOYSA-N 0 1 284.743 2.931 20 30 CFEDMN C#CCN1CCC(C(=O)N(c2ccccc2)C2CCC2)CC1 ZINC000876275768 642807361 /nfs/dbraw/zinc/80/73/61/642807361.db2.gz WMIZBQYGWJZBBG-UHFFFAOYSA-N 0 1 296.414 2.917 20 30 CFEDMN C=C(Cl)C[C@H](N)C(=O)Nc1ccc2c(c1)C(=O)CCC2 ZINC000876656361 642960746 /nfs/dbraw/zinc/96/07/46/642960746.db2.gz MBELDZYCPKSMEZ-ZDUSSCGKSA-N 0 1 292.766 2.614 20 30 CFEDMN C=C(Cl)CNC(=O)[C@H](N)c1cccc(C(F)(F)F)c1 ZINC000876669617 642965618 /nfs/dbraw/zinc/96/56/18/642965618.db2.gz SFLLYNIMCTWYKH-SNVBAGLBSA-N 0 1 292.688 2.574 20 30 CFEDMN N#Cc1cccc(CN2CCC[C@H]2C[C@@H](O)c2ccco2)n1 ZINC000876808888 643017950 /nfs/dbraw/zinc/01/79/50/643017950.db2.gz VOZDGDVZTJTIBX-JKSUJKDBSA-N 0 1 297.358 2.634 20 30 CFEDMN CCCCCCCNC(=O)c1oc(CN)cc1C ZINC000876989455 643095641 /nfs/dbraw/zinc/09/56/41/643095641.db2.gz ZPMQNLTZMQGMJN-UHFFFAOYSA-N 0 1 252.358 2.747 20 30 CFEDMN CC1(C)CC[C@@H](CNCc2cc(C#N)cnc2Cl)O1 ZINC000877439495 643272316 /nfs/dbraw/zinc/27/23/16/643272316.db2.gz MLAMRCBFTDUDPK-LBPRGKRZSA-N 0 1 279.771 2.654 20 30 CFEDMN C[C@@H](CCC#N)CN1CCC=C(Br)C1 ZINC000877500729 643311719 /nfs/dbraw/zinc/31/17/19/643311719.db2.gz IGTHGYDHXBLKLA-JTQLQIEISA-N 0 1 257.175 2.911 20 30 CFEDMN C#C[C@H](CC)NCc1c(C(F)(F)F)nc2n1CCCC2 ZINC000877512947 643319979 /nfs/dbraw/zinc/31/99/79/643319979.db2.gz GUAHLJDBVSDVGG-SNVBAGLBSA-N 0 1 285.313 2.740 20 30 CFEDMN C#CCCCCCCN1C[C@@H](CC)[S@](=O)[C@@H](C)C1 ZINC000877519652 643323930 /nfs/dbraw/zinc/32/39/30/643323930.db2.gz YZVSFSACBBUABX-HDMKZQKVSA-N 0 1 269.454 2.802 20 30 CFEDMN CN(C)c1ccc(C#N)cc1C[N@H+]1CC[C@@]2(CC2(F)F)C1 ZINC000877617429 643403851 /nfs/dbraw/zinc/40/38/51/643403851.db2.gz WETHTMNBAMMMQO-OAHLLOKOSA-N 0 1 291.345 2.855 20 30 CFEDMN C=CC(C)(C)CCCNCc1cc(COC)on1 ZINC000877803840 643565553 /nfs/dbraw/zinc/56/55/53/643565553.db2.gz KTINRYJCCVGKIF-UHFFFAOYSA-N 0 1 252.358 2.903 20 30 CFEDMN C=CC[C@H](C)N1CCN(C(=O)CC(C)(C)C)CC1 ZINC000877891091 643626073 /nfs/dbraw/zinc/62/60/73/643626073.db2.gz BYCWVSFLUHWLCR-ZDUSSCGKSA-N 0 1 252.402 2.531 20 30 CFEDMN C=CC[C@@H](C)N1CCN(C(=O)C(CC)CC)CC1 ZINC000877897213 643628495 /nfs/dbraw/zinc/62/84/95/643628495.db2.gz GZAFWGDINJAIQM-CYBMUJFWSA-N 0 1 252.402 2.531 20 30 CFEDMN C=CC[C@@H](C)N1CCN(C(=O)c2cc(C)oc2C)CC1 ZINC000877994066 643685284 /nfs/dbraw/zinc/68/52/84/643685284.db2.gz MKJZCXRHQUSSFI-GFCCVEGCSA-N 0 1 276.380 2.619 20 30 CFEDMN C=CC[C@H](C(=O)OC)N1CC[C@@H](c2ccc(OC)cc2)C1 ZINC000878023493 643697289 /nfs/dbraw/zinc/69/72/89/643697289.db2.gz WUDSWSXDPFQNIA-GDBMZVCRSA-N 0 1 289.375 2.602 20 30 CFEDMN CC(C)(C)CN(CCC#N)C[C@@H](O)CC1(CO)CCCC1 ZINC000878122026 643747183 /nfs/dbraw/zinc/74/71/83/643747183.db2.gz RERLNHASBWXRLB-HNNXBMFYSA-N 0 1 296.455 2.552 20 30 CFEDMN CC(C)CCN(CCC#N)C[C@@H](O)CC1(CO)CCCC1 ZINC000878159017 643766639 /nfs/dbraw/zinc/76/66/39/643766639.db2.gz BBIJVHHLGDWOAL-INIZCTEOSA-N 0 1 296.455 2.552 20 30 CFEDMN C#CCCCCC[N@H+](C)C1(C(=O)OC)CCCC1 ZINC000878274146 643817602 /nfs/dbraw/zinc/81/76/02/643817602.db2.gz WRKICIBRPKJFMR-UHFFFAOYSA-N 0 1 251.370 2.598 20 30 CFEDMN Cc1n[nH]c(C)c1[C@@H](C)CC(=O)Nc1cc(C#N)ccc1O ZINC000127134744 643908247 /nfs/dbraw/zinc/90/82/47/643908247.db2.gz USSITIUZNJRNON-VIFPVBQESA-N 0 1 298.346 2.736 20 30 CFEDMN C#C[C@@H](C)[N@@H+](C)C[C@@H](O)c1ccc(Cl)c(Cl)c1 ZINC000878517659 643924309 /nfs/dbraw/zinc/92/43/09/643924309.db2.gz UBXYEDSJVBFCPX-NOZJJQNGSA-N 0 1 272.175 2.980 20 30 CFEDMN C#C[C@@H](C)N(C)C[C@@H](O)c1ccc(Cl)c(Cl)c1 ZINC000878517659 643924310 /nfs/dbraw/zinc/92/43/10/643924310.db2.gz UBXYEDSJVBFCPX-NOZJJQNGSA-N 0 1 272.175 2.980 20 30 CFEDMN CCCCCNC(=O)C(C#N)C(=O)[C@@H]1CCC[C@@H](C)C1 ZINC000246626715 650877824 /nfs/dbraw/zinc/87/78/24/650877824.db2.gz UDNIJELLWGPOSH-MGPQQGTHSA-N 0 1 278.396 2.828 20 30 CFEDMN N#Cc1ccc(CN2CCC[C@@H](c3ccncc3)C2)o1 ZINC000878614943 643959006 /nfs/dbraw/zinc/95/90/06/643959006.db2.gz TULWPAPZMFOYNU-CQSZACIVSA-N 0 1 267.332 2.926 20 30 CFEDMN C=CCc1cc(OC)cc(CN2C[C@@H](C)OC[C@@H]2C)c1O ZINC000246725409 650880376 /nfs/dbraw/zinc/88/03/76/650880376.db2.gz NTEMIHIAWOEURC-QWHCGFSZSA-N 0 1 291.391 2.739 20 30 CFEDMN C#CC[C@@H]1CCCN(Cc2cnc(C(=O)OCC)s2)C1 ZINC000878760982 644017488 /nfs/dbraw/zinc/01/74/88/644017488.db2.gz MGNNIUKEBOHXEV-GFCCVEGCSA-N 0 1 292.404 2.555 20 30 CFEDMN C#CCN(Cc1cccc2ncccc12)C1CSC1 ZINC000878909211 644071194 /nfs/dbraw/zinc/07/11/94/644071194.db2.gz OBQGTXOEQBXSDK-UHFFFAOYSA-N 0 1 268.385 2.785 20 30 CFEDMN C=C1C[C@H]2CC[C@@H](C1)N2CCCS(=O)(=O)C(C)(C)C ZINC000878992192 644102349 /nfs/dbraw/zinc/10/23/49/644102349.db2.gz UCTFNOXLJGYAAL-OKILXGFUSA-N 0 1 285.453 2.773 20 30 CFEDMN Cc1oncc1CN1CCC(c2ccc(C#N)cn2)CC1 ZINC000879023015 644115735 /nfs/dbraw/zinc/11/57/35/644115735.db2.gz GLTFCOILFAECLA-UHFFFAOYSA-N 0 1 282.347 2.629 20 30 CFEDMN C=CC[C@@H]1CCN(Cc2csc(-c3ccn(C)n3)n2)C1 ZINC000879031880 644119325 /nfs/dbraw/zinc/11/93/25/644119325.db2.gz CNZLTBDHWZWPBL-GFCCVEGCSA-N 0 1 288.420 2.942 20 30 CFEDMN C=CCCC[C@@H](C(=O)NCc1c[nH]nn1)c1ccccc1 ZINC000879067824 644131942 /nfs/dbraw/zinc/13/19/42/644131942.db2.gz NNZXXVFBSGDNQL-OAHLLOKOSA-N 0 1 284.363 2.561 20 30 CFEDMN C=CC(C)(C)CC(=O)Nc1nc(-c2ccc(C)o2)n[nH]1 ZINC000879175575 644166919 /nfs/dbraw/zinc/16/69/19/644166919.db2.gz HHKRWDSMFPBHJF-UHFFFAOYSA-N 0 1 274.324 2.914 20 30 CFEDMN C=CC[C@@H](C(=O)OC)N1CCC[C@@H](OC2CCC2)CC1 ZINC000879472209 644282313 /nfs/dbraw/zinc/28/23/13/644282313.db2.gz TVNKIEQBLWTBFW-CABCVRRESA-N 0 1 281.396 2.528 20 30 CFEDMN C=CC[C@H](C(=O)OC)N1CCC[C@H](OC2CCC2)CC1 ZINC000879472212 644282441 /nfs/dbraw/zinc/28/24/41/644282441.db2.gz TVNKIEQBLWTBFW-LSDHHAIUSA-N 0 1 281.396 2.528 20 30 CFEDMN N#Cc1ccc(F)c(CN2CC[C@@H]3CSC[C@H]3C2)c1 ZINC000879555040 644316917 /nfs/dbraw/zinc/31/69/17/644316917.db2.gz ILVVDHXMTLTFJA-TZMCWYRMSA-N 0 1 276.380 2.882 20 30 CFEDMN N#Cc1ccc(F)c(CN2CC[C@H]3CSC[C@H]3C2)c1 ZINC000879555037 644316938 /nfs/dbraw/zinc/31/69/38/644316938.db2.gz ILVVDHXMTLTFJA-GXTWGEPZSA-N 0 1 276.380 2.882 20 30 CFEDMN C=C(Br)CN1CC[C@H]2CSC[C@H]2C1 ZINC000879559302 644318182 /nfs/dbraw/zinc/31/81/82/644318182.db2.gz REWUGWGCQKXDFO-VHSXEESVSA-N 0 1 262.216 2.580 20 30 CFEDMN C[C@H]1CN(CC2(CC#N)CC2)CC[C@H](C(F)(F)F)O1 ZINC000880064654 644519834 /nfs/dbraw/zinc/51/98/34/644519834.db2.gz ONCLGMGJCGACIY-WDEREUQCSA-N 0 1 276.302 2.722 20 30 CFEDMN C[C@H](c1ccccc1)N1CCN(C[C@@H](C#N)CCC#N)CC1 ZINC000880249919 644612024 /nfs/dbraw/zinc/61/20/24/644612024.db2.gz YUSGZRDEPWLZDI-IAGOWNOFSA-N 0 1 296.418 2.809 20 30 CFEDMN N#Cc1ccc(CN2CC[C@H](CF)C2)c(OC(F)F)c1 ZINC000880293960 644633361 /nfs/dbraw/zinc/63/33/61/644633361.db2.gz GIJWOGOSLPPIMN-LLVKDONJSA-N 0 1 284.281 2.951 20 30 CFEDMN C[C@@H]1CC[C@H](CO)N1Cc1ccc(C#N)cc1C(F)(F)F ZINC000880434705 644704914 /nfs/dbraw/zinc/70/49/14/644704914.db2.gz GVCPOPJJUAGQBD-ZWNOBZJWSA-N 0 1 298.308 2.922 20 30 CFEDMN C[C@@H]1CC[C@H](CO)N1Cc1ccc(C#N)cc1OC(F)F ZINC000880439373 644707582 /nfs/dbraw/zinc/70/75/82/644707582.db2.gz WIYVCFFXZITPRB-ZWNOBZJWSA-N 0 1 296.317 2.505 20 30 CFEDMN C#CCC1(O)CCN(Cc2ccc(Cl)cc2)CC1 ZINC000880477990 644730178 /nfs/dbraw/zinc/73/01/78/644730178.db2.gz QAIQQAIEFZKXBE-UHFFFAOYSA-N 0 1 263.768 2.690 20 30 CFEDMN C#CCN(Cc1ccc(C(=O)OCC)o1)C1CCCC1 ZINC000093819837 650947110 /nfs/dbraw/zinc/94/71/10/650947110.db2.gz PIASNUHJDQUXKY-UHFFFAOYSA-N 0 1 275.348 2.834 20 30 CFEDMN C#CCCN1CCN(c2nc3ccc(F)cc3s2)CC1 ZINC000881857825 645142419 /nfs/dbraw/zinc/14/24/19/645142419.db2.gz FAFLCNJTIYHDSZ-UHFFFAOYSA-N 0 1 289.379 2.581 20 30 CFEDMN C=CCCC[C@H](NC(=O)CN(C)C)c1ccccc1 ZINC000882233639 645249062 /nfs/dbraw/zinc/24/90/62/645249062.db2.gz ASAZIQDIUJGBIF-HNNXBMFYSA-N 0 1 260.381 2.762 20 30 CFEDMN Cc1cc(CC(=O)Nc2ccc(C3CC3)c(C#N)c2)n[nH]1 ZINC000882312590 645278826 /nfs/dbraw/zinc/27/88/26/645278826.db2.gz UHOYPNBBEJZFQG-UHFFFAOYSA-N 0 1 280.331 2.648 20 30 CFEDMN C[C@@H]1CN(c2ccncc2C(F)(F)F)C[C@@H](C)N1CC#N ZINC000882519393 645351784 /nfs/dbraw/zinc/35/17/84/645351784.db2.gz WAYAXWXFKNOFLA-GHMZBOCLSA-N 0 1 298.312 2.523 20 30 CFEDMN Cc1c(C(=O)Nc2cc(C#N)ccc2O)cnn1CC(C)C ZINC000129879330 645420667 /nfs/dbraw/zinc/42/06/67/645420667.db2.gz XPVWYGFHPSEQSE-UHFFFAOYSA-N 0 1 298.346 2.677 20 30 CFEDMN C[C@H]1C[C@@H]1C(=O)C(C#N)C(=O)Nc1ccc(F)c(Cl)c1 ZINC000130200809 645471675 /nfs/dbraw/zinc/47/16/75/645471675.db2.gz OKIHUWPUQRSOLE-UJNFCWOMSA-N 0 1 294.713 2.782 20 30 CFEDMN CC[C@H](C#N)Oc1cccc(CNCc2ccncc2N)c1 ZINC000883000141 645555141 /nfs/dbraw/zinc/55/51/41/645555141.db2.gz OSHGKAXAGWJQJY-OAHLLOKOSA-N 0 1 296.374 2.635 20 30 CFEDMN C#CC[C@H](CO)NCc1csc(Cl)c1Cl ZINC000883124434 645614166 /nfs/dbraw/zinc/61/41/66/645614166.db2.gz GUHFFYKHMCOBTA-MRVPVSSYSA-N 0 1 264.177 2.529 20 30 CFEDMN C#CC[C@@H](CO)NCc1ccc(-c2cccc(F)c2C)o1 ZINC000883124063 645614332 /nfs/dbraw/zinc/61/43/32/645614332.db2.gz UZIBSGTYLJYLBP-ZDUSSCGKSA-N 0 1 287.334 2.868 20 30 CFEDMN C#Cc1ccc(CNCc2c[nH]nc2C(C)(C)C)cc1 ZINC000883132388 645619259 /nfs/dbraw/zinc/61/92/59/645619259.db2.gz PPCHXBLAPFOGIQ-UHFFFAOYSA-N 0 1 267.376 2.978 20 30 CFEDMN C=CCC[C@H](NCc1cscn1)[C@H]1CCCO1 ZINC000883182555 645645908 /nfs/dbraw/zinc/64/59/08/645645908.db2.gz FSDMJFGPRJMYSV-QWHCGFSZSA-N 0 1 252.383 2.747 20 30 CFEDMN C=CCCCN(C)CN1C(=O)OC[C@@H]1Cc1ccccc1 ZINC000131181205 645649596 /nfs/dbraw/zinc/64/95/96/645649596.db2.gz FOJNYWVRRLNIEU-INIZCTEOSA-N 0 1 288.391 2.905 20 30 CFEDMN C=CCC[C@H](NCc1ncnn1C(C)(C)C)[C@@H]1CCCO1 ZINC000883220191 645673208 /nfs/dbraw/zinc/67/32/08/645673208.db2.gz GBPXLKLYSBITRR-KBPBESRZSA-N 0 1 292.427 2.637 20 30 CFEDMN C=CCC[C@H](NCc1nnc(C(C)C)[nH]1)[C@@H]1CCCO1 ZINC000883225361 645675935 /nfs/dbraw/zinc/67/59/35/645675935.db2.gz FTTQWFVZSOFRBM-STQMWFEESA-N 0 1 278.400 2.532 20 30 CFEDMN C=CCCCCCN(C)CN1CCSC1=S ZINC000131393475 645719817 /nfs/dbraw/zinc/71/98/17/645719817.db2.gz PAAUHCRWXQLRHK-UHFFFAOYSA-N 0 1 258.456 2.956 20 30 CFEDMN C=C(C)C[C@H](CO)N[C@H](C)c1c(F)cccc1[N+](=O)[O-] ZINC000883392784 645792334 /nfs/dbraw/zinc/79/23/34/645792334.db2.gz ORZQCTYRPSJHKU-GHMZBOCLSA-N 0 1 282.315 2.712 20 30 CFEDMN CC1(C)CCC(C(=O)C(C#N)C(=O)NC2CCCC2)CC1 ZINC000132035663 645865863 /nfs/dbraw/zinc/86/58/63/645865863.db2.gz GNVHQTWTSNTJOU-AWEZNQCLSA-N 0 1 290.407 2.970 20 30 CFEDMN CC#CCN1CCC(N(C)C(=O)c2ccc(C)c(C)c2)CC1 ZINC001006363930 646007642 /nfs/dbraw/zinc/00/76/42/646007642.db2.gz MCSSRIDYFJMNJL-UHFFFAOYSA-N 0 1 298.430 2.863 20 30 CFEDMN CC(C)C(N)=NOCCOc1ccc(F)cc1Cl ZINC000133649230 646202480 /nfs/dbraw/zinc/20/24/80/646202480.db2.gz FMOSERORRVXGAR-UHFFFAOYSA-N 0 1 274.723 2.803 20 30 CFEDMN CCC(=NNc1nccn(C)c1=O)c1sccc1Cl ZINC000884433329 646355741 /nfs/dbraw/zinc/35/57/41/646355741.db2.gz GKMXJLJNEXHUSC-UHFFFAOYSA-N 0 1 296.783 2.721 20 30 CFEDMN CCC(=NN=c1[nH]ccn(C)c1=O)c1sccc1Cl ZINC000884433329 646355748 /nfs/dbraw/zinc/35/57/48/646355748.db2.gz GKMXJLJNEXHUSC-UHFFFAOYSA-N 0 1 296.783 2.721 20 30 CFEDMN Fc1cccc(CC=CN=NC2=N[C@@H]3CCCC[C@H]3N2)c1 ZINC000884442916 646360687 /nfs/dbraw/zinc/36/06/87/646360687.db2.gz ULFKWDSKUALRHG-WSNMBVRTSA-N 0 1 286.354 2.685 20 30 CFEDMN C#CCN1CCC[C@H](Nc2ccc(C(F)(F)F)cn2)C1 ZINC000884611800 646486743 /nfs/dbraw/zinc/48/67/43/646486743.db2.gz VDXNTRFKWKOFDG-LBPRGKRZSA-N 0 1 283.297 2.610 20 30 CFEDMN C=CCC1(O)CCN(c2cc[nH+]c3c([O-])cccc23)CC1 ZINC000884724458 646542314 /nfs/dbraw/zinc/54/23/14/646542314.db2.gz UKADCFBOZMHUAL-UHFFFAOYSA-N 0 1 284.359 2.848 20 30 CFEDMN C=CCCCCOC(=O)[C@H]1c2cn[nH]c2CC[C@@H]1C ZINC000885259414 646649712 /nfs/dbraw/zinc/64/97/12/646649712.db2.gz LVQNOFRSQRDZTP-SMDDNHRTSA-N 0 1 262.353 2.975 20 30 CFEDMN C[C@@H]1CCc2[nH]ncc2[C@H]1C(=O)OCCCC(C)(C)C#N ZINC000885259764 646651030 /nfs/dbraw/zinc/65/10/30/646651030.db2.gz NYQODJHEPOSMAQ-RISCZKNCSA-N 0 1 289.379 2.949 20 30 CFEDMN C#CCN1CC[N@@H+](Cc2ccc(C)nc2)C[C@@H]1[C@@H](C)CC ZINC000135872145 646661647 /nfs/dbraw/zinc/66/16/47/646661647.db2.gz WOTXTLVEYXGYAA-MAUKXSAKSA-N 0 1 285.435 2.556 20 30 CFEDMN CC(C)(C)N1CCCC(C(=O)OCCC(C)(C)C#N)C1=O ZINC000885477971 646694759 /nfs/dbraw/zinc/69/47/59/646694759.db2.gz LRMMHGUPGKBCQQ-LBPRGKRZSA-N 0 1 294.395 2.507 20 30 CFEDMN N#CC1(C[C@H](O)C[N@H+]2CCC[C@@H](C(F)(F)F)C2)CCC1 ZINC000885930688 646771657 /nfs/dbraw/zinc/77/16/57/646771657.db2.gz DUZFGQPPBQXOIM-NEPJUHHUSA-N 0 1 290.329 2.706 20 30 CFEDMN C#CCOc1ccc(F)cc1NCc1n[nH]c(C)c1C ZINC000885999315 646804064 /nfs/dbraw/zinc/80/40/64/646804064.db2.gz HFAZAGMZNOSUKF-UHFFFAOYSA-N 0 1 273.311 2.790 20 30 CFEDMN Cc1csc([C@H](C)NC[C@H](O)CC2(C#N)CCC2)n1 ZINC000886130112 646886356 /nfs/dbraw/zinc/88/63/56/646886356.db2.gz WEZQHMDFXCOCAN-NWDGAFQWSA-N 0 1 279.409 2.547 20 30 CFEDMN CCCCCCCN1CCN(c2ncccn2)CC1 ZINC000137454921 646936155 /nfs/dbraw/zinc/93/61/55/646936155.db2.gz AMEMQHIQIQIYFP-UHFFFAOYSA-N 0 1 262.401 2.569 20 30 CFEDMN CSc1ccc(CNCc2cc(C)nn2C)cc1C#N ZINC000886277464 646948006 /nfs/dbraw/zinc/94/80/06/646948006.db2.gz RLVJBGAUMZWKDK-UHFFFAOYSA-N 0 1 286.404 2.612 20 30 CFEDMN CSc1ccc(CNCc2cnc(C)n2C)cc1C#N ZINC000886277631 646948101 /nfs/dbraw/zinc/94/81/01/646948101.db2.gz XDNCJKUNNOELKU-UHFFFAOYSA-N 0 1 286.404 2.612 20 30 CFEDMN CCn1cc(CNCc2ccc(SC)c(C#N)c2)cn1 ZINC000886278553 646948173 /nfs/dbraw/zinc/94/81/73/646948173.db2.gz CHYPRIFSZPYQMD-UHFFFAOYSA-N 0 1 286.404 2.786 20 30 CFEDMN CC1(C)CN(C[C@H](O)CC2(C#N)CCC2)[C@H]1c1ccncc1 ZINC000886288508 646955022 /nfs/dbraw/zinc/95/50/22/646955022.db2.gz AVMBYZWSLDWDPZ-CVEARBPZSA-N 0 1 299.418 2.909 20 30 CFEDMN C#CC[C@H]1CCN(Cc2ccn(-c3cccc(F)c3)n2)C1 ZINC000886358559 646986184 /nfs/dbraw/zinc/98/61/84/646986184.db2.gz WYPWFXWJNULJSL-AWEZNQCLSA-N 0 1 283.350 2.857 20 30 CFEDMN C#CC[C@@H]1CCN(CC(=O)Nc2ccc(C)c(C)c2)C1 ZINC000886359460 646986886 /nfs/dbraw/zinc/98/68/86/646986886.db2.gz CHKHXZIHXIJGDH-OAHLLOKOSA-N 0 1 270.376 2.587 20 30 CFEDMN C#CC[C@H]1CCN(Cc2nc(C)c3ccccc3n2)C1 ZINC000886361309 646987605 /nfs/dbraw/zinc/98/76/05/646987605.db2.gz ATYJZNROHDIRNK-AWEZNQCLSA-N 0 1 265.360 2.783 20 30 CFEDMN C#CC[C@H]1CCN(Cc2cccc(Br)n2)C1 ZINC000886365921 646988811 /nfs/dbraw/zinc/98/88/11/646988811.db2.gz SJHRSEDGKCXCDH-NSHDSACASA-N 0 1 279.181 2.689 20 30 CFEDMN C#CCCCCCC(=O)N1CCN(C)C[C@H]1CC(C)C ZINC000886595093 647059267 /nfs/dbraw/zinc/05/92/67/647059267.db2.gz AOTLCAVNQPNBTD-MRXNPFEDSA-N 0 1 278.440 2.759 20 30 CFEDMN C#CCOc1ccc(CN[C@H]2CCc3cccnc32)cc1 ZINC000886620061 647071655 /nfs/dbraw/zinc/07/16/55/647071655.db2.gz AZJWIOXXBHJBEZ-KRWDZBQOSA-N 0 1 278.355 2.871 20 30 CFEDMN CC(C)[C@H](NCc1ccc(C#N)c(F)c1)c1cnn(C)c1 ZINC000886622162 647073457 /nfs/dbraw/zinc/07/34/57/647073457.db2.gz LOTADAPEDZKUSP-INIZCTEOSA-N 0 1 286.354 2.918 20 30 CFEDMN CC(C)[C@@H](NCc1ccc(C#N)s1)c1cnn(C)c1 ZINC000886628681 647076149 /nfs/dbraw/zinc/07/61/49/647076149.db2.gz YWTWDTRKHVSAIU-CQSZACIVSA-N 0 1 274.393 2.840 20 30 CFEDMN C#CCC1(NC(=O)[C@@H]2CCN2C(C)(C)C)CCCCC1 ZINC000886657365 647092728 /nfs/dbraw/zinc/09/27/28/647092728.db2.gz MMEATVKAEXEUMW-AWEZNQCLSA-N 0 1 276.424 2.702 20 30 CFEDMN Cc1nc(C2CCN(Cc3ccncc3C#N)CC2)[nH]c1C ZINC000886661101 647095490 /nfs/dbraw/zinc/09/54/90/647095490.db2.gz MOFICDKKTNGACY-UHFFFAOYSA-N 0 1 295.390 2.673 20 30 CFEDMN C=CCC1(O)CCN(Cc2cccc([N+](=O)[O-])c2C)CC1 ZINC000886761927 647129535 /nfs/dbraw/zinc/12/95/35/647129535.db2.gz NQTPUMMBKYDIOQ-UHFFFAOYSA-N 0 1 290.363 2.806 20 30 CFEDMN C=CCC1(O)CCN([C@H](C(=O)OC(C)(C)C)C2CC2)CC1 ZINC000886780512 647133856 /nfs/dbraw/zinc/13/38/56/647133856.db2.gz QAHANLUOKIDGDR-AWEZNQCLSA-N 0 1 295.423 2.510 20 30 CFEDMN C[C@@H](c1cccc(C#N)c1)N1CC[C@@](CO)(C(F)(F)F)C1 ZINC000886808532 647148284 /nfs/dbraw/zinc/14/82/84/647148284.db2.gz KWDGMFGASZUMNQ-SMDDNHRTSA-N 0 1 298.308 2.866 20 30 CFEDMN C=CC[N@H+](CC(=O)[O-])Cc1cccc(OC(F)(F)F)c1 ZINC000220843249 647161819 /nfs/dbraw/zinc/16/18/19/647161819.db2.gz OISJBNJTDOSYFP-UHFFFAOYSA-N 0 1 289.253 2.658 20 30 CFEDMN C#CCC1(NCc2csc([C@H](C)OC)n2)CCOCC1 ZINC000887124634 647219743 /nfs/dbraw/zinc/21/97/43/647219743.db2.gz MMXLNBQUFMLKRY-LBPRGKRZSA-N 0 1 294.420 2.513 20 30 CFEDMN C[C@H](C(=O)Nc1ccc(C#N)c(Cl)c1)N(C)CCCF ZINC000887139832 647227602 /nfs/dbraw/zinc/22/76/02/647227602.db2.gz GFCITNYBUBCVKM-SNVBAGLBSA-N 0 1 297.761 2.830 20 30 CFEDMN C#C[C@H](NCc1cc([N+](=O)[O-])ccc1Cl)C(C)C ZINC000302467576 647407801 /nfs/dbraw/zinc/40/78/01/647407801.db2.gz ZBZBXIMMZPSCLE-ZDUSSCGKSA-N 0 1 266.728 2.996 20 30 CFEDMN COc1ccccc1[C@H](CO)N[C@H](C)CC(C)(C)C#N ZINC000925425297 648167058 /nfs/dbraw/zinc/16/70/58/648167058.db2.gz QLCSHIGKAXXPJL-OCCSQVGLSA-N 0 1 276.380 2.647 20 30 CFEDMN C[C@@H](CC(C)(C)C#N)NCc1n[nH]c(C(C)(C)C)n1 ZINC000926571228 648537915 /nfs/dbraw/zinc/53/79/15/648537915.db2.gz QADMHNHCTUPEBL-JTQLQIEISA-N 0 1 263.389 2.520 20 30 CFEDMN C=CCOCCCN[C@@H]1CCCc2oc(C)nc21 ZINC000926704709 648582830 /nfs/dbraw/zinc/58/28/30/648582830.db2.gz OBPAPMWTDJLGPJ-GFCCVEGCSA-N 0 1 250.342 2.543 20 30 CFEDMN CC(C)n1cc([C@H](C)N[C@@H]2Cc3ccc(C#N)cc3C2)nn1 ZINC000926812388 648625569 /nfs/dbraw/zinc/62/55/69/648625569.db2.gz MPPVTQASPPMUDF-BLLLJJGKSA-N 0 1 295.390 2.549 20 30 CFEDMN CC(C)(C)OC(=O)N1CC[C@@H](NCC(C)(C)C#N)C1(C)C ZINC000926875175 648642184 /nfs/dbraw/zinc/64/21/84/648642184.db2.gz WGXWIZNBLFKEFN-GFCCVEGCSA-N 0 1 295.427 2.914 20 30 CFEDMN Cc1n[nH]cc1[C@H](C)NCc1ccc(C)c(C#N)c1 ZINC000926966603 648674466 /nfs/dbraw/zinc/67/44/66/648674466.db2.gz LKOFMLVMWBQWLP-NSHDSACASA-N 0 1 254.337 2.749 20 30 CFEDMN Cn1nc(C2CC2)cc1CN[C@H]1CCc2ccc(C#N)cc21 ZINC000927102660 648711878 /nfs/dbraw/zinc/71/18/78/648711878.db2.gz VBPBISRPZOAMDZ-KRWDZBQOSA-N 0 1 292.386 2.946 20 30 CFEDMN N#C[C@H]1CCCN(C(=O)c2cc(-c3ccc(F)cc3)[nH]n2)C1 ZINC000928228511 648879363 /nfs/dbraw/zinc/87/93/63/648879363.db2.gz DUSNVIGPEYYFDM-LLVKDONJSA-N 0 1 298.321 2.592 20 30 CFEDMN C#CCN1CCC(NC(=O)c2ccccc2CC(C)C)CC1 ZINC000928653039 648939006 /nfs/dbraw/zinc/93/90/06/648939006.db2.gz WNDWUDZBVFBKOE-UHFFFAOYSA-N 0 1 298.430 2.713 20 30 CFEDMN C#CCN1CCC(NC(=O)C2CC3(C2)CCCCC3)CC1 ZINC000928648100 648939044 /nfs/dbraw/zinc/93/90/44/648939044.db2.gz GEIIYLWXTSFQQE-UHFFFAOYSA-N 0 1 288.435 2.561 20 30 CFEDMN CC1(C)CN(CCCCC2(C#N)CCC2)CCO1 ZINC000929119012 648983566 /nfs/dbraw/zinc/98/35/66/648983566.db2.gz ZZWGDGQTKSWKAZ-UHFFFAOYSA-N 0 1 250.386 2.961 20 30 CFEDMN C=CCN(Cc1cccs1)C[C@@H]1C[C@H]2COC[C@@H]2O1 ZINC000929140168 648988226 /nfs/dbraw/zinc/98/82/26/648988226.db2.gz HYTBZPKLMYKQEO-YDHLFZDLSA-N 0 1 279.405 2.540 20 30 CFEDMN N#CC[C@@H](O)CN1CCC[C@H]1c1ccc(Cl)cc1 ZINC000929170660 648993932 /nfs/dbraw/zinc/99/39/32/648993932.db2.gz CFTQYKKHKCZHMZ-KGLIPLIRSA-N 0 1 264.756 2.751 20 30 CFEDMN Cc1cccc(C(C)C)c1NC(=O)NCC#CCN(C)C ZINC000929189764 648998216 /nfs/dbraw/zinc/99/82/16/648998216.db2.gz SRFRZZXQZVDODE-UHFFFAOYSA-N 0 1 287.407 2.805 20 30 CFEDMN C=CCN(Cc1ccc(Br)nc1N)C(C)C ZINC000929292549 649025483 /nfs/dbraw/zinc/02/54/83/649025483.db2.gz MKOFEJRIADGAAR-UHFFFAOYSA-N 0 1 284.201 2.823 20 30 CFEDMN CCOC(=O)CN(CC)CCCCC1(C#N)CCC1 ZINC000929360638 649038262 /nfs/dbraw/zinc/03/82/62/649038262.db2.gz RJZZLLULTJWEMD-UHFFFAOYSA-N 0 1 266.385 2.736 20 30 CFEDMN C=CCN(C/C(C)=C\C(=O)OC)Cc1cccc(C#N)c1 ZINC000929364247 649038966 /nfs/dbraw/zinc/03/89/66/649038966.db2.gz NOWPONITGBLVAP-ZROIWOOFSA-N 0 1 284.359 2.666 20 30 CFEDMN C[C@@H](c1ccc(C(F)(F)F)cc1)[N@@H+](C)C[C@H](O)CC#N ZINC000929382658 649042807 /nfs/dbraw/zinc/04/28/07/649042807.db2.gz FWQZQRIIHFIDSO-GXFFZTMASA-N 0 1 286.297 2.973 20 30 CFEDMN C[C@@H](c1ccc(C(F)(F)F)cc1)N(C)C[C@H](O)CC#N ZINC000929382658 649042811 /nfs/dbraw/zinc/04/28/11/649042811.db2.gz FWQZQRIIHFIDSO-GXFFZTMASA-N 0 1 286.297 2.973 20 30 CFEDMN CCCN(C[C@H](O)CC#N)[C@@H](C)c1ccccc1OC ZINC000929381780 649042916 /nfs/dbraw/zinc/04/29/16/649042916.db2.gz CQMDDADZUNWEGN-UONOGXRCSA-N 0 1 276.380 2.743 20 30 CFEDMN COCCN(C/C=C(/C)COC)Cc1ccc(C#N)cc1 ZINC000929396074 649044600 /nfs/dbraw/zinc/04/46/00/649044600.db2.gz ZZQXTPFTHGJBDZ-NVNXTCNLSA-N 0 1 288.391 2.599 20 30 CFEDMN C[C@H](O)C1CCN(Cc2cc(Cl)cc(C#N)c2)CC1 ZINC000929620533 649080600 /nfs/dbraw/zinc/08/06/00/649080600.db2.gz CKUMIKCVANNPTC-NSHDSACASA-N 0 1 278.783 2.804 20 30 CFEDMN C=CC[N@@H+](C[C@@H]1CCCS1(=O)=O)CC1CCCCC1 ZINC000929626023 649081912 /nfs/dbraw/zinc/08/19/12/649081912.db2.gz WGFDWTRQJJDNAO-HNNXBMFYSA-N 0 1 285.453 2.632 20 30 CFEDMN C=CCN(C[C@@H]1CCCS1(=O)=O)CC1CCCCC1 ZINC000929626023 649081913 /nfs/dbraw/zinc/08/19/13/649081913.db2.gz WGFDWTRQJJDNAO-HNNXBMFYSA-N 0 1 285.453 2.632 20 30 CFEDMN N#CC1CCC(CN2CCO[C@@H](c3ccco3)C2)CC1 ZINC000929818253 649129944 /nfs/dbraw/zinc/12/99/44/649129944.db2.gz PAQKMNMCLSBSHQ-ZBCRRDGASA-N 0 1 274.364 2.983 20 30 CFEDMN Cc1cc(C#N)cc(C)c1CN1CCO[C@@H](C)[C@H]1C ZINC000929847217 649137538 /nfs/dbraw/zinc/13/75/38/649137538.db2.gz MDPUCMSNNPEBKD-KGLIPLIRSA-N 0 1 258.365 2.784 20 30 CFEDMN Cc1cc(C#N)cc(C)c1CN1CCO[C@@H](C)[C@@H]1C ZINC000929847216 649137876 /nfs/dbraw/zinc/13/78/76/649137876.db2.gz MDPUCMSNNPEBKD-KBPBESRZSA-N 0 1 258.365 2.784 20 30 CFEDMN Cc1ccc(C#N)cc1C(=O)N1CCN(C2CCCC2)CC1 ZINC000929914309 649149248 /nfs/dbraw/zinc/14/92/48/649149248.db2.gz ZMZVYGWCMVRKRJ-UHFFFAOYSA-N 0 1 297.402 2.567 20 30 CFEDMN N#CC[C@@H](O)C[N@H+]1CCCC[C@H]1c1cc2ccccc2[nH]1 ZINC000929970739 649157880 /nfs/dbraw/zinc/15/78/80/649157880.db2.gz ZSCWVPFQQQLPNJ-PBHICJAKSA-N 0 1 283.375 2.969 20 30 CFEDMN N#CC[C@@H](O)CN1CCCC[C@H]1c1cc2ccccc2[nH]1 ZINC000929970739 649157883 /nfs/dbraw/zinc/15/78/83/649157883.db2.gz ZSCWVPFQQQLPNJ-PBHICJAKSA-N 0 1 283.375 2.969 20 30 CFEDMN C=CCN(CC1CCC2(CC2)CC1)[C@@H]1CCS(=O)(=O)C1 ZINC000929977049 649159044 /nfs/dbraw/zinc/15/90/44/649159044.db2.gz RAHQJHWOYKUSGK-OAHLLOKOSA-N 0 1 297.464 2.632 20 30 CFEDMN C[C@@]1(O)CCCN(Cc2cc(Cl)cc(C#N)c2)C1 ZINC000930149606 649193837 /nfs/dbraw/zinc/19/38/37/649193837.db2.gz VONTVLLPIFBEKH-CQSZACIVSA-N 0 1 264.756 2.558 20 30 CFEDMN N#Cc1cncc(CN[C@@H](CCCO)c2ccccc2)c1 ZINC000930226687 649210087 /nfs/dbraw/zinc/21/00/87/649210087.db2.gz MSCIOJFWXVFLND-KRWDZBQOSA-N 0 1 281.359 2.557 20 30 CFEDMN C=C[C@@H]1CCCC[N@@H+]1C[C@@](O)(CC)C(F)(F)F ZINC000930262128 649217313 /nfs/dbraw/zinc/21/73/13/649217313.db2.gz DGAXFRQCOCFOQL-MNOVXSKESA-N 0 1 251.292 2.730 20 30 CFEDMN N#Cc1cncc(CN2CCC[C@@H](c3ccncc3)C2)c1 ZINC000930477950 649256630 /nfs/dbraw/zinc/25/66/30/649256630.db2.gz NWJNTZSBAYKYDV-QGZVFWFLSA-N 0 1 278.359 2.728 20 30 CFEDMN C[C@@H]1C[C@H](CO)CN(Cc2cc(Cl)cc(C#N)c2)C1 ZINC000930748836 649319288 /nfs/dbraw/zinc/31/92/88/649319288.db2.gz MDBQEYACDADUFL-RISCZKNCSA-N 0 1 278.783 2.662 20 30 CFEDMN C[C@H](CC#N)NCCC1(C(=O)OC(C)(C)C)CCC1 ZINC000930866594 649339160 /nfs/dbraw/zinc/33/91/60/649339160.db2.gz DFBZYXRYOLHFSB-GFCCVEGCSA-N 0 1 266.385 2.780 20 30 CFEDMN C#CCCCCCCN1CC2CC1(C(=O)OCC)C2 ZINC000931065145 649373633 /nfs/dbraw/zinc/37/36/33/649373633.db2.gz FAXHXKBQDLXNIN-UHFFFAOYSA-N 0 1 263.381 2.598 20 30 CFEDMN C=C1C[C@H]2CC[C@@H](C1)N2Cc1cc(C(=O)OCC)no1 ZINC000931063794 649374000 /nfs/dbraw/zinc/37/40/00/649374000.db2.gz UVDBZVRBCAEWFB-TXEJJXNPSA-N 0 1 276.336 2.534 20 30 CFEDMN CN(Cc1ccc(N2CCOCC2)cc1)[C@@H]1CCC[C@H]1C#N ZINC000931477182 649437968 /nfs/dbraw/zinc/43/79/68/649437968.db2.gz WDTDVKPDHMKMHV-FUHWJXTLSA-N 0 1 299.418 2.647 20 30 CFEDMN N#Cc1cncc(CN2CCC[C@H](OC3CCC3)CC2)c1 ZINC000931535009 649448735 /nfs/dbraw/zinc/44/87/35/649448735.db2.gz BVPPFDZQFZUUEU-KRWDZBQOSA-N 0 1 285.391 2.877 20 30 CFEDMN C#CCN1CCC(NC(=O)Nc2ccc3occc3c2)CC1 ZINC000932030328 649526427 /nfs/dbraw/zinc/52/64/27/649526427.db2.gz ALWSGEMLQFBZHR-UHFFFAOYSA-N 0 1 297.358 2.652 20 30 CFEDMN C#CCOc1ccc(NC(=O)[C@H]2CCC[N@@H+]2C(C)C)cc1 ZINC000932293236 649575363 /nfs/dbraw/zinc/57/53/63/649575363.db2.gz NZCXQROSRSFQST-MRXNPFEDSA-N 0 1 286.375 2.510 20 30 CFEDMN C#CCOc1ccc(NC(=O)[C@H]2CCCN2C(C)C)cc1 ZINC000932293236 649575366 /nfs/dbraw/zinc/57/53/66/649575366.db2.gz NZCXQROSRSFQST-MRXNPFEDSA-N 0 1 286.375 2.510 20 30 CFEDMN CC(C)[C@H](C#N)NC(=O)c1ccc(CN2CCCCC2)o1 ZINC000932377289 649587935 /nfs/dbraw/zinc/58/79/35/649587935.db2.gz BAECQTYRDDCGMP-AWEZNQCLSA-N 0 1 289.379 2.543 20 30 CFEDMN CC(C)[C@H](C#N)NC(=O)c1cccc2nc(C(F)F)[nH]c21 ZINC000932380488 649588262 /nfs/dbraw/zinc/58/82/62/649588262.db2.gz LKYAGEJEQTVIIQ-JTQLQIEISA-N 0 1 292.289 2.778 20 30 CFEDMN C#CCN(Cc1cc(=O)oc2cc(C)ccc12)C(C)C ZINC000932390880 649591640 /nfs/dbraw/zinc/59/16/40/649591640.db2.gz QZUKFLREFNRYFO-UHFFFAOYSA-N 0 1 269.344 2.945 20 30 CFEDMN C#CC[N@@H+](C[C@H](O)c1c(F)cccc1F)C(C)(C)C ZINC000932462565 649605366 /nfs/dbraw/zinc/60/53/66/649605366.db2.gz BEESXUQIBOINQJ-ZDUSSCGKSA-N 0 1 267.319 2.732 20 30 CFEDMN C#CCN(C[C@H](O)c1c(F)cccc1F)C(C)(C)C ZINC000932462565 649605369 /nfs/dbraw/zinc/60/53/69/649605369.db2.gz BEESXUQIBOINQJ-ZDUSSCGKSA-N 0 1 267.319 2.732 20 30 CFEDMN C=C(C)[C@@H](CO)N[C@@H](CC)c1cc(F)ccc1OC ZINC000932476164 649608464 /nfs/dbraw/zinc/60/84/64/649608464.db2.gz YKRKPMYJVCASIU-UONOGXRCSA-N 0 1 267.344 2.812 20 30 CFEDMN OC1(C2CCC2)CCN(CC#Cc2ccccc2)CC1 ZINC000932820128 649646251 /nfs/dbraw/zinc/64/62/51/649646251.db2.gz YFURBCWEXBOVMO-UHFFFAOYSA-N 0 1 269.388 2.665 20 30 CFEDMN CC[C@@H]1C(=O)NCCCN1Cc1ccccc1C(C)(C)C#N ZINC000933220987 649680711 /nfs/dbraw/zinc/68/07/11/649680711.db2.gz BJLXGCRJBUXFDI-MRXNPFEDSA-N 0 1 299.418 2.588 20 30 CFEDMN N#CCCCN[C@@H](CO)c1ccccc1C(F)(F)F ZINC000933244619 649681706 /nfs/dbraw/zinc/68/17/06/649681706.db2.gz YXUYNBGGJWAQFJ-LBPRGKRZSA-N 0 1 272.270 2.632 20 30 CFEDMN C#CCC1(NCc2nnc(C)n2CCC)CCCCC1 ZINC000933264802 649683664 /nfs/dbraw/zinc/68/36/64/649683664.db2.gz DYYBGGWQRDNDRZ-UHFFFAOYSA-N 0 1 274.412 2.812 20 30 CFEDMN C#CCN(CC(OC)OC)[C@@H]1CCCc2ccccc21 ZINC000933419517 649692622 /nfs/dbraw/zinc/69/26/22/649692622.db2.gz VGYYLMONBOWYEO-MRXNPFEDSA-N 0 1 273.376 2.618 20 30 CFEDMN C#CCN(CC(OC)OC)[C@H]1CCCc2ccccc21 ZINC000933419516 649692758 /nfs/dbraw/zinc/69/27/58/649692758.db2.gz VGYYLMONBOWYEO-INIZCTEOSA-N 0 1 273.376 2.618 20 30 CFEDMN Cc1noc(C[C@@H]2CCCN(CC#Cc3ccccc3)C2)n1 ZINC000933576755 649702978 /nfs/dbraw/zinc/70/29/78/649702978.db2.gz WSFHNDKPJHRDKS-KRWDZBQOSA-N 0 1 295.386 2.684 20 30 CFEDMN CCN(C#N)CCN1CCC(c2ccc(C#N)cc2)CC1 ZINC000933607087 649705647 /nfs/dbraw/zinc/70/56/47/649705647.db2.gz NNAPTLCJMPFOSO-UHFFFAOYSA-N 0 1 282.391 2.541 20 30 CFEDMN C=C(C)CCN1CCO[C@H](c2ccc(C#N)cc2)C1 ZINC000933628958 649708258 /nfs/dbraw/zinc/70/82/58/649708258.db2.gz NNFGAAFNGUDHAY-INIZCTEOSA-N 0 1 256.349 2.898 20 30 CFEDMN Cc1cc(CN2CCC3(CC2)CC(=O)C=CO3)ccc1C#N ZINC000933646978 649710046 /nfs/dbraw/zinc/71/00/46/649710046.db2.gz UCIUOBFZHUTHSP-UHFFFAOYSA-N 0 1 296.370 2.704 20 30 CFEDMN N#CCC[C@H](C#N)CN[C@H]1CCOC12CCCCC2 ZINC000933876952 649728140 /nfs/dbraw/zinc/72/81/40/649728140.db2.gz PLPRTCGHCVYCCN-KGLIPLIRSA-N 0 1 261.369 2.511 20 30 CFEDMN CO[C@H]1CC[C@@H]1N(C)CC#Cc1cccc(Cl)c1 ZINC000934104966 649749557 /nfs/dbraw/zinc/74/95/57/649749557.db2.gz LTWCRFHCXJOVAV-GJZGRUSLSA-N 0 1 263.768 2.801 20 30 CFEDMN CO[C@@H]1CC[C@@H]1N(C)Cc1ccc(C#N)cc1OC(F)F ZINC000934120734 649752696 /nfs/dbraw/zinc/75/26/96/649752696.db2.gz IDULTKKSQCEYTP-QWHCGFSZSA-N 0 1 296.317 2.769 20 30 CFEDMN C=CCCCC[N@@H+]1CCC[C@H]1c1ncc(OC)c(=O)[n-]1 ZINC000934279057 649768438 /nfs/dbraw/zinc/76/84/38/649768438.db2.gz JYQPCSPMPUTZRK-LBPRGKRZSA-N 0 1 277.368 2.684 20 30 CFEDMN C=CC[C@@H]1CCN1[C@@H](C(=O)NC1CC1)c1ccccc1 ZINC000934464821 649788622 /nfs/dbraw/zinc/78/86/22/649788622.db2.gz AINVVWWHSWJROJ-HZPDHXFCSA-N 0 1 270.376 2.657 20 30 CFEDMN C=CC[C@H]1CCN1Cc1cc(C(=O)OC)sc1C ZINC000934464150 649788684 /nfs/dbraw/zinc/78/86/84/649788684.db2.gz CKGDIPSBXWJBBK-LBPRGKRZSA-N 0 1 265.378 2.994 20 30 CFEDMN C=CC[C@H]1CCN1Cc1ccc(OC)c([N+](=O)[O-])c1 ZINC000934471185 649790426 /nfs/dbraw/zinc/79/04/26/649790426.db2.gz SGGARBUUZQKKIM-LBPRGKRZSA-N 0 1 262.309 2.754 20 30 CFEDMN Cc1ccc2nc(SCCO[C@H](C)C#N)[nH]c2c1 ZINC000306001449 651087795 /nfs/dbraw/zinc/08/77/95/651087795.db2.gz IQYCICUCDBSESU-SNVBAGLBSA-N 0 1 261.350 2.892 20 30 CFEDMN Oc1ccccc1C=Nn1c(=S)[nH]nc1-c1ccco1 ZINC000254671460 651093302 /nfs/dbraw/zinc/09/33/02/651093302.db2.gz UTSINLBKLUUSFO-UHFFFAOYSA-N 0 1 286.316 2.788 20 30 CFEDMN C=CCN1CCC[C@H](NC(=O)CC2CCCCC2)C1 ZINC001006682804 651128256 /nfs/dbraw/zinc/12/82/56/651128256.db2.gz WCFDVFVCSZXOFH-HNNXBMFYSA-N 0 1 264.413 2.723 20 30 CFEDMN C=CCN1CCC[C@H](NC(=O)C[C@@H]2CCC(F)(F)C2)C1 ZINC001007461002 651136060 /nfs/dbraw/zinc/13/60/60/651136060.db2.gz VWGVHTAIHGXLHG-STQMWFEESA-N 0 1 286.366 2.579 20 30 CFEDMN C=CCN1CCC[C@H](NC(=O)c2cc(F)ccc2CC)C1 ZINC001007779642 651138570 /nfs/dbraw/zinc/13/85/70/651138570.db2.gz CPJJNRUPRQMUKL-HNNXBMFYSA-N 0 1 290.382 2.768 20 30 CFEDMN C=CCN1CCC[C@@H](NC(=O)Cc2cccc(C3CC3)c2)C1 ZINC001008044648 651141527 /nfs/dbraw/zinc/14/15/27/651141527.db2.gz JDBLJFVBKGYJBH-GOSISDBHSA-N 0 1 298.430 2.873 20 30 CFEDMN C=C(C)CN1CCC[C@@H](NC(=O)c2cc(F)ccc2C)C1 ZINC001008095247 651141992 /nfs/dbraw/zinc/14/19/92/651141992.db2.gz JYYAWABZBZLVFN-OAHLLOKOSA-N 0 1 290.382 2.904 20 30 CFEDMN C=C(C)CN1CCC[C@H](NC(=O)[C@H]2CCC2(C)C)C1 ZINC001008256412 651145676 /nfs/dbraw/zinc/14/56/76/651145676.db2.gz PHTCVYBJZQIULG-UONOGXRCSA-N 0 1 264.413 2.579 20 30 CFEDMN C=CCN1CCC[C@@H](NC(=O)C2(C)CCCCC2)C1 ZINC001008407026 651147700 /nfs/dbraw/zinc/14/77/00/651147700.db2.gz PQZJFKMOBKJZIQ-CQSZACIVSA-N 0 1 264.413 2.723 20 30 CFEDMN C=C(C)CN1CCC[C@H](NC(=O)[C@H](C)c2ccco2)C1 ZINC001008515023 651149934 /nfs/dbraw/zinc/14/99/34/651149934.db2.gz YJBGHPYWIFEONM-KGLIPLIRSA-N 0 1 276.380 2.540 20 30 CFEDMN C=CCN1CCC[C@H](NC(=O)c2cccc3cc[nH]c32)C1 ZINC001008607408 651150967 /nfs/dbraw/zinc/15/09/67/651150967.db2.gz BEDITQLSWFZUIC-AWEZNQCLSA-N 0 1 283.375 2.548 20 30 CFEDMN C=CCN1CCC[C@@H](NC(=O)c2cnc3ccccc3c2)C1 ZINC001008671428 651152391 /nfs/dbraw/zinc/15/23/91/651152391.db2.gz OBBKFIUGBPFRNA-MRXNPFEDSA-N 0 1 295.386 2.615 20 30 CFEDMN C=CCN1CCC[C@@H](NC(=O)c2cc(C)ccc2F)C1 ZINC001008666108 651152445 /nfs/dbraw/zinc/15/24/45/651152445.db2.gz MMGZFCVHSFYUMH-CYBMUJFWSA-N 0 1 276.355 2.514 20 30 CFEDMN C=C(C)CN1CCC[C@H](NC(=O)[C@H](C)C2CCCC2)C1 ZINC001009150127 651155853 /nfs/dbraw/zinc/15/58/53/651155853.db2.gz BIPXYIOOFZOKQD-ZBFHGGJFSA-N 0 1 278.440 2.969 20 30 CFEDMN C=CCN1CCC[C@H](NC(=O)c2ccc3ccn(C)c3c2)C1 ZINC001009093339 651156155 /nfs/dbraw/zinc/15/61/55/651156155.db2.gz IXKIAKBNNRHHKQ-INIZCTEOSA-N 0 1 297.402 2.559 20 30 CFEDMN C=CCN1CCC[C@@H](NC(=O)[C@H]2CC[C@H](C)CC2)C1 ZINC001009267791 651157611 /nfs/dbraw/zinc/15/76/11/651157611.db2.gz FYVGLYWPEVYWSV-RBSFLKMASA-N 0 1 264.413 2.579 20 30 CFEDMN C=CCN1CCC[C@H](NC(=O)[C@H]2CC[C@H](C)CC2)C1 ZINC001009267784 651157980 /nfs/dbraw/zinc/15/79/80/651157980.db2.gz FYVGLYWPEVYWSV-KKUMJFAQSA-N 0 1 264.413 2.579 20 30 CFEDMN C=CCN1CCC[C@@H](NC(=O)C2CCC(C3CC3)CC2)C1 ZINC001009380185 651159714 /nfs/dbraw/zinc/15/97/14/651159714.db2.gz VDBFSUWTFXFXJD-OFLPRAFFSA-N 0 1 290.451 2.969 20 30 CFEDMN C=C(C)CN1CCC[C@@H](NC(=O)C2(c3ccccc3)CC2)C1 ZINC001009415880 651160360 /nfs/dbraw/zinc/16/03/60/651160360.db2.gz VGMOYXUOPPHFQF-QGZVFWFLSA-N 0 1 298.430 2.875 20 30 CFEDMN C=C(C)CN1CCC[C@H](NC(=O)c2ccc(C3CC3)cn2)C1 ZINC001009380638 651160398 /nfs/dbraw/zinc/16/03/98/651160398.db2.gz YIROKHOCJVOWFD-INIZCTEOSA-N 0 1 299.418 2.729 20 30 CFEDMN C=CCN1CCC[C@@H](NC(=O)c2ccc3c(c2)CCC3)C1 ZINC001009478399 651160727 /nfs/dbraw/zinc/16/07/27/651160727.db2.gz VPQGSQSBCXSZGV-QGZVFWFLSA-N 0 1 284.403 2.556 20 30 CFEDMN C=C(C)CN1CCC[C@@H](NC(=O)c2cc3ccccc3[nH]2)C1 ZINC001009450672 651160778 /nfs/dbraw/zinc/16/07/78/651160778.db2.gz WWSJARONJYBZRY-OAHLLOKOSA-N 0 1 297.402 2.938 20 30 CFEDMN C=CCN1CCC[C@H](NC(=O)Cc2ccccc2Cl)C1 ZINC001009438437 651160905 /nfs/dbraw/zinc/16/09/05/651160905.db2.gz XFRRLWPIFLODNK-AWEZNQCLSA-N 0 1 292.810 2.649 20 30 CFEDMN C=C(C)CN1CCC[C@@H](NC(=O)C2CCC=CCC2)C1 ZINC001009566666 651162023 /nfs/dbraw/zinc/16/20/23/651162023.db2.gz VABYHRXJPAXOAL-MRXNPFEDSA-N 0 1 276.424 2.890 20 30 CFEDMN C=CCN1CCC[C@H](NC(=O)[C@H]2CCCCC2(C)C)C1 ZINC001009664765 651163231 /nfs/dbraw/zinc/16/32/31/651163231.db2.gz XPCJZXRONTWMDG-LSDHHAIUSA-N 0 1 278.440 2.969 20 30 CFEDMN C=C(C)CN1CCC[C@H](NC(=O)c2ccc(CF)cc2)C1 ZINC001009671731 651163715 /nfs/dbraw/zinc/16/37/15/651163715.db2.gz JKIAOUCMCGOMMG-INIZCTEOSA-N 0 1 290.382 2.926 20 30 CFEDMN C=CCN1CC[C@@H](NC(=O)c2cccc(Cl)c2C)C1 ZINC001014510617 651186849 /nfs/dbraw/zinc/18/68/49/651186849.db2.gz WOYONUMNWYZLJE-GFCCVEGCSA-N 0 1 278.783 2.639 20 30 CFEDMN C=C(C)CN1CC[C@@H](NC(=O)c2sc(C)cc2C)C1 ZINC001014590523 651189672 /nfs/dbraw/zinc/18/96/72/651189672.db2.gz QZRIRVNBHQHNLC-CYBMUJFWSA-N 0 1 278.421 2.745 20 30 CFEDMN C=C(C)CN1CC[C@H](NC(=O)c2ccc3cc(C)cn3c2)C1 ZINC001014670789 651190349 /nfs/dbraw/zinc/19/03/49/651190349.db2.gz VPEWXVXXWJSKJZ-INIZCTEOSA-N 0 1 297.402 2.628 20 30 CFEDMN C=C(C)CN1CC[C@H](NC(=O)c2cc(F)ccc2CC)C1 ZINC001015093692 651195198 /nfs/dbraw/zinc/19/51/98/651195198.db2.gz JYZZCVWOSIFKFU-HNNXBMFYSA-N 0 1 290.382 2.768 20 30 CFEDMN C=CCN1CC[C@H](NC(=O)c2coc3cc(F)ccc23)C1 ZINC001015029441 651195303 /nfs/dbraw/zinc/19/53/03/651195303.db2.gz XCCBLFHOOBLKDK-LBPRGKRZSA-N 0 1 288.322 2.562 20 30 CFEDMN C=C(C)CN1CC[C@H](NC(=O)c2cc(C)sc2C)C1 ZINC001015140171 651195926 /nfs/dbraw/zinc/19/59/26/651195926.db2.gz QCEQUUBICWZQDU-ZDUSSCGKSA-N 0 1 278.421 2.745 20 30 CFEDMN C=C(C)CN1CC[C@@H](NC(=O)c2cc3ccc(C)cc3[nH]2)C1 ZINC001015431185 651201101 /nfs/dbraw/zinc/20/11/01/651201101.db2.gz NVKJLNRQISRSFT-OAHLLOKOSA-N 0 1 297.402 2.857 20 30 CFEDMN C=C(C)CN1CC[C@@H](NC(=O)c2c(C)cc(F)cc2C)C1 ZINC001015486465 651201942 /nfs/dbraw/zinc/20/19/42/651201942.db2.gz FWOCLNRKZOJBGE-OAHLLOKOSA-N 0 1 290.382 2.823 20 30 CFEDMN C=C(C)CN1CC[C@@H](NC(=O)c2cc3cc(C)ccc3[nH]2)C1 ZINC001015471117 651201953 /nfs/dbraw/zinc/20/19/53/651201953.db2.gz JBLZFLNNZGSPHA-OAHLLOKOSA-N 0 1 297.402 2.857 20 30 CFEDMN C=CCN1CC[C@H](NC(=O)C2[C@H]3CCCCCC[C@H]23)C1 ZINC001015746702 651211473 /nfs/dbraw/zinc/21/14/73/651211473.db2.gz UBSHMNWKDYGXTO-KKUMJFAQSA-N 0 1 276.424 2.579 20 30 CFEDMN C=C(C)CN1CC[C@H](NC(=O)c2ccc(Cl)c(F)c2)C1 ZINC001015747130 651211788 /nfs/dbraw/zinc/21/17/88/651211788.db2.gz WZLAICIAAQOZHW-LBPRGKRZSA-N 0 1 296.773 2.859 20 30 CFEDMN C=CCN1CC[C@@H](NC(=O)[C@]2(C)CCCc3ccccc32)C1 ZINC001015856746 651216642 /nfs/dbraw/zinc/21/66/42/651216642.db2.gz XJSYPHGJELIWLN-VQIMIIECSA-N 0 1 298.430 2.657 20 30 CFEDMN C=CCN1CC[C@@H](NC(=O)[C@H]2CC[C@H](C(C)C)CC2)C1 ZINC001015902017 651217218 /nfs/dbraw/zinc/21/72/18/651217218.db2.gz DBNGROCXVSLUBK-BZUAXINKSA-N 0 1 278.440 2.825 20 30 CFEDMN C=CCN1CC[C@H](NC(=O)c2cc(C(C)C)oc2C)C1 ZINC001015924945 651217683 /nfs/dbraw/zinc/21/76/83/651217683.db2.gz WNSIUUDSVWRUMO-ZDUSSCGKSA-N 0 1 276.380 2.702 20 30 CFEDMN C=C(C)CN1CC[C@H](NC(=O)c2cc3sccc3[nH]2)C1 ZINC001015941694 651218221 /nfs/dbraw/zinc/21/82/21/651218221.db2.gz CCBOEPPUZAHFQO-NSHDSACASA-N 0 1 289.404 2.610 20 30 CFEDMN C=CCN1CC[C@H](NC(=O)c2cccc3ccsc32)C1 ZINC001015947234 651218655 /nfs/dbraw/zinc/21/86/55/651218655.db2.gz KULHHBAZLKSWLG-ZDUSSCGKSA-N 0 1 286.400 2.891 20 30 CFEDMN C=C(C)CN1CC[C@@H](NC(=O)c2ccc(CF)cc2)C1 ZINC001016365732 651231513 /nfs/dbraw/zinc/23/15/13/651231513.db2.gz XOBPJEKADDDTCE-OAHLLOKOSA-N 0 1 276.355 2.536 20 30 CFEDMN C=CCN1CC[C@@H](NC(=O)C2CCC(C)(C)CC2)C1 ZINC001016355865 651231670 /nfs/dbraw/zinc/23/16/70/651231670.db2.gz BNBPKASZRIHWLO-CQSZACIVSA-N 0 1 264.413 2.579 20 30 CFEDMN C=C(C)CN1C[C@H]2CC[C@@H](C1)N2C(=O)/C=C\c1ccco1 ZINC001017303725 651248818 /nfs/dbraw/zinc/24/88/18/651248818.db2.gz BZAWTLAJAHNIMY-ZMWOBVFASA-N 0 1 286.375 2.544 20 30 CFEDMN C=C(C)CCN1C[C@H]2CC[C@@H](C1)N2C(=O)c1ccco1 ZINC001017306314 651249258 /nfs/dbraw/zinc/24/92/58/651249258.db2.gz OEUSVGFJJIEKJR-OKILXGFUSA-N 0 1 274.364 2.535 20 30 CFEDMN C=CCCN1C[C@H]2CC[C@@H](C1)N2C(=O)c1cc(C)cc(C)n1 ZINC001017699193 651256173 /nfs/dbraw/zinc/25/61/73/651256173.db2.gz PSMYEQGHPRGPIJ-IYBDPMFKSA-N 0 1 299.418 2.563 20 30 CFEDMN C=CCCN1C[C@H]2CC[C@@H](C1)N2C(=O)C1(F)CCCC1 ZINC001017690617 651256236 /nfs/dbraw/zinc/25/62/36/651256236.db2.gz JGKCZNFWGPHZFW-OKILXGFUSA-N 0 1 280.387 2.520 20 30 CFEDMN C=CCCN1C[C@H]2CC[C@@H](C1)N2C(=O)c1c[nH]cc1C1CC1 ZINC001018120951 651265394 /nfs/dbraw/zinc/26/53/94/651265394.db2.gz ZIHTUTGRBDTMRT-GASCZTMLSA-N 0 1 299.418 2.757 20 30 CFEDMN C=C(Cl)CN[C@H]1CCN(C(=O)[C@@]2(C)CC=CCC2)C1 ZINC001018904703 651277066 /nfs/dbraw/zinc/27/70/66/651277066.db2.gz ATHGOVPJXHCZCV-ZFWWWQNUSA-N 0 1 282.815 2.676 20 30 CFEDMN C=C(Cl)CN[C@H]1CCN(C(=O)C23CCC(CC2)C3)C1 ZINC001019046293 651278966 /nfs/dbraw/zinc/27/89/66/651278966.db2.gz ZUHQORJRCUBVNL-OWYJLGKBSA-N 0 1 282.815 2.510 20 30 CFEDMN C=C(Cl)CN[C@H]1CCN(C(=O)[C@@H]2C[C@H]2C(C)(C)C)C1 ZINC001019132285 651279963 /nfs/dbraw/zinc/27/99/63/651279963.db2.gz PYPLACQFJYKGRJ-YNEHKIRRSA-N 0 1 284.831 2.612 20 30 CFEDMN C=C(Cl)CN[C@H]1CCN(C(=O)C(C)(C)C2CCC2)C1 ZINC001019198133 651280535 /nfs/dbraw/zinc/28/05/35/651280535.db2.gz NDOMPPFJEGKZJK-ZDUSSCGKSA-N 0 1 284.831 2.756 20 30 CFEDMN C=C(Cl)CN[C@H]1CCN(C(=O)c2c(C)cccc2C)C1 ZINC001019423771 651284797 /nfs/dbraw/zinc/28/47/97/651284797.db2.gz ZKVKGTNSPUBFHV-AWEZNQCLSA-N 0 1 292.810 2.860 20 30 CFEDMN C=C(Cl)CN[C@H]1CCN(C(=O)c2ccc(C)cc2C)C1 ZINC001019729401 651290310 /nfs/dbraw/zinc/29/03/10/651290310.db2.gz OLPCGJOXNQMJDS-AWEZNQCLSA-N 0 1 292.810 2.860 20 30 CFEDMN C=CCC[N@@H+]1CC[C@@H]1CN(C)C(=O)[C@@H]1CC12CCCC2 ZINC001085910241 782200156 /nfs/dbraw/zinc/20/01/56/782200156.db2.gz BONYKPBJGMRROD-CABCVRRESA-N 0 1 276.424 2.676 20 30 CFEDMN C=CCC[N@@H+]1CC[C@@H]1CN(C)C(=O)c1ncoc1C(C)C ZINC001085910771 782200265 /nfs/dbraw/zinc/20/02/65/782200265.db2.gz OOGAPSOZLKIUOK-CYBMUJFWSA-N 0 1 291.395 2.520 20 30 CFEDMN C=CCCN1CC[C@@H]1CN(C)C(=O)c1ncoc1C(C)C ZINC001085910771 782200272 /nfs/dbraw/zinc/20/02/72/782200272.db2.gz OOGAPSOZLKIUOK-CYBMUJFWSA-N 0 1 291.395 2.520 20 30 CFEDMN C=CCC[N@@H+]1CC[C@H]1CN(C)C(=O)c1csc(Cl)n1 ZINC001085910251 782201253 /nfs/dbraw/zinc/20/12/53/782201253.db2.gz BXGGUYHIMURRMO-JTQLQIEISA-N 0 1 299.827 2.519 20 30 CFEDMN C=CCCN1CC[C@H]1CN(C)C(=O)c1csc(Cl)n1 ZINC001085910251 782201262 /nfs/dbraw/zinc/20/12/62/782201262.db2.gz BXGGUYHIMURRMO-JTQLQIEISA-N 0 1 299.827 2.519 20 30 CFEDMN C=C(C)CN1CC[C@H]1CN(C)C(=O)c1cccc2c1CCC2 ZINC001085995048 782232205 /nfs/dbraw/zinc/23/22/05/782232205.db2.gz CHKLZRJIZGMHRI-INIZCTEOSA-N 0 1 298.430 2.898 20 30 CFEDMN C=C(C)CN1CC[C@@H]1CN(C)C(=O)c1cccc2c1CCC2 ZINC001085995049 782232262 /nfs/dbraw/zinc/23/22/62/782232262.db2.gz CHKLZRJIZGMHRI-MRXNPFEDSA-N 0 1 298.430 2.898 20 30 CFEDMN C#CCCN1CC[C@@H]1CN(C)C(=O)[C@H]1CCCCC1(C)C ZINC001085991790 782228806 /nfs/dbraw/zinc/22/88/06/782228806.db2.gz VOSMIDMOVQMJBR-HZPDHXFCSA-N 0 1 290.451 2.759 20 30 CFEDMN C=C(C)CCC(=O)N(CC)CCNCc1ccc(F)cn1 ZINC001273404752 782278530 /nfs/dbraw/zinc/27/85/30/782278530.db2.gz NGRTYIPCRWFXNT-UHFFFAOYSA-N 0 1 293.386 2.515 20 30 CFEDMN C=C(Cl)CNC[C@H](CC(C)C)NC(=O)C(C)C ZINC001271246960 777810738 /nfs/dbraw/zinc/81/07/38/777810738.db2.gz OIIJZPMCGMDMMR-LBPRGKRZSA-N 0 1 260.809 2.515 20 30 CFEDMN C#CCC[N@@H+]1CC[C@H](N(CC)C(=O)[C@@H]2C[C@H]2C(C)(C)C)C1 ZINC001033896248 780819175 /nfs/dbraw/zinc/81/91/75/780819175.db2.gz GZOZRHYHXSYWEM-ARFHVFGLSA-N 0 1 290.451 2.615 20 30 CFEDMN C#CCN1CC[C@@H](N(CC)C(=O)[C@@H]2CCCCC2(C)C)C1 ZINC001034050414 780867949 /nfs/dbraw/zinc/86/79/49/780867949.db2.gz LTGSZXBIUSPONA-CVEARBPZSA-N 0 1 290.451 2.759 20 30 CFEDMN C#CCN1CC[C@@H](N(CC)C(=O)[C@H]2CCCC(C)(C)C2)C1 ZINC001034050641 780868058 /nfs/dbraw/zinc/86/80/58/780868058.db2.gz OEFAAOXXHPCVSZ-JKSUJKDBSA-N 0 1 290.451 2.759 20 30 CFEDMN C=CCCCCCCCCCN1CCN(C(N)=O)CC1 ZINC001207898707 769829338 /nfs/dbraw/zinc/82/93/38/769829338.db2.gz CXXQGXDXEZAISP-UHFFFAOYSA-N 0 1 281.444 2.990 20 30 CFEDMN C=CCC[N@H+]1CC[C@@H]1CNC(=O)c1ccc(C2CC2)cc1 ZINC001039045895 769939939 /nfs/dbraw/zinc/93/99/39/769939939.db2.gz ISXROONKGDOTQM-QGZVFWFLSA-N 0 1 284.403 2.944 20 30 CFEDMN C=CCCC(=O)N[C@H]1CCN(Cc2csc(C)c2)C1 ZINC001266307389 769946369 /nfs/dbraw/zinc/94/63/69/769946369.db2.gz CDKNWVYBKBASKI-AWEZNQCLSA-N 0 1 278.421 2.713 20 30 CFEDMN C#CCN1CC[C@H](NC(=O)CCC2CCCCCC2)C1 ZINC001266330701 769974356 /nfs/dbraw/zinc/97/43/56/769974356.db2.gz HUCXCQPPHGIATA-INIZCTEOSA-N 0 1 276.424 2.561 20 30 CFEDMN CC#CCN(C)[C@H](C)CNC(=O)c1ccc(C(C)C)cc1 ZINC001282486942 769986128 /nfs/dbraw/zinc/98/61/28/769986128.db2.gz RSICQZBYXUVNAJ-OAHLLOKOSA-N 0 1 286.419 2.883 20 30 CFEDMN C=CCN(Cc1ccccc1)c1ncc2nc(C)[nH]c2n1 ZINC001167126791 770066227 /nfs/dbraw/zinc/06/62/27/770066227.db2.gz OWCZKGHOANLFQJ-UHFFFAOYSA-N 0 1 279.347 2.806 20 30 CFEDMN C=CCCCCCCN1CC(N2CC[C@H](F)C2)C1 ZINC001209436213 770088322 /nfs/dbraw/zinc/08/83/22/770088322.db2.gz OLVHRDSOLIXPMQ-AWEZNQCLSA-N 0 1 254.393 2.851 20 30 CFEDMN C#CCN1CCC[C@@H]1CNC(=O)CCCc1ccc(C)cc1 ZINC001266479899 770197820 /nfs/dbraw/zinc/19/78/20/770197820.db2.gz FRHKXAYRNSSYNL-GOSISDBHSA-N 0 1 298.430 2.532 20 30 CFEDMN C=CCC(C)(C)C(=O)NC[C@@H]1CCN(C/C=C/Cl)C1 ZINC001266537240 770295420 /nfs/dbraw/zinc/29/54/20/770295420.db2.gz HDNNRZVQYMATAU-LJLILKBBSA-N 0 1 284.831 2.779 20 30 CFEDMN C=CCC(C)(C)C(=O)NC[C@H]1CCN(C/C=C/Cl)C1 ZINC001266537241 770295696 /nfs/dbraw/zinc/29/56/96/770295696.db2.gz HDNNRZVQYMATAU-OQHXTRMZSA-N 0 1 284.831 2.779 20 30 CFEDMN CCCN(C/C=C/Cl)CCNC(=O)C#CC(C)(C)C ZINC001266560558 770340077 /nfs/dbraw/zinc/34/00/77/770340077.db2.gz RLLKAYGNJHMMRU-RMKNXTFCSA-N 0 1 284.831 2.617 20 30 CFEDMN CCCN(C/C=C\Cl)CCNC(=O)C#CC(C)(C)C ZINC001266560559 770340854 /nfs/dbraw/zinc/34/08/54/770340854.db2.gz RLLKAYGNJHMMRU-TWGQIWQCSA-N 0 1 284.831 2.617 20 30 CFEDMN COc1cnccc1Nc1sc(C)c(C)c1C#N ZINC001211257516 770468089 /nfs/dbraw/zinc/46/80/89/770468089.db2.gz OSAUDCHZHKDKTL-UHFFFAOYSA-N 0 1 259.334 2.806 20 30 CFEDMN C=C(Cl)CNCCN(C)C(=O)CC1CCCCC1 ZINC001266636836 770472413 /nfs/dbraw/zinc/47/24/13/770472413.db2.gz RPFVTQLBICBUSO-UHFFFAOYSA-N 0 1 272.820 2.757 20 30 CFEDMN N#Cc1cc(Nc2cc(Cl)cc3[nH]ncc32)ccn1 ZINC001215857329 770581119 /nfs/dbraw/zinc/58/11/19/770581119.db2.gz OIIUBDAHIOGZDI-UHFFFAOYSA-N 0 1 269.695 2.648 20 30 CFEDMN C=C(C)CN1CCCC[C@@H]1CNC(=O)CSCCC ZINC001266833460 770661155 /nfs/dbraw/zinc/66/11/55/770661155.db2.gz RNMIWYHTRXHNHC-CQSZACIVSA-N 0 1 284.469 2.676 20 30 CFEDMN CC#CCN1CCCC[C@@H]1CNC(=O)CC1=CCCCC1 ZINC001266837656 770664715 /nfs/dbraw/zinc/66/47/15/770664715.db2.gz ULWCWCUMLPJGEP-QGZVFWFLSA-N 0 1 288.435 2.871 20 30 CFEDMN C#CCCCC(=O)N[C@H](C)[C@@H]1CCCN(CC(=C)Cl)C1 ZINC001266893407 770719327 /nfs/dbraw/zinc/71/93/27/770719327.db2.gz QQFKPRUIHLCZIQ-HUUCEWRRSA-N 0 1 296.842 2.759 20 30 CFEDMN C=C(Cl)CN[C@@H](C)CNC(=O)C[C@H]1CC=CCC1 ZINC001266961542 770771311 /nfs/dbraw/zinc/77/13/11/770771311.db2.gz KEVKIYWQGJZJMO-STQMWFEESA-N 0 1 270.804 2.580 20 30 CFEDMN C=CCCCC(=O)NC[C@@H](C)NCc1cccc(F)c1F ZINC001266967335 770777201 /nfs/dbraw/zinc/77/72/01/770777201.db2.gz KPGPWGCSYDGYGA-GFCCVEGCSA-N 0 1 296.361 2.915 20 30 CFEDMN C[C@@H](CNC(=O)CCC1(C)CC1)NCC#Cc1ccccc1 ZINC001266984031 770789360 /nfs/dbraw/zinc/78/93/60/770789360.db2.gz QWIBCKXSUOREBW-INIZCTEOSA-N 0 1 298.430 2.713 20 30 CFEDMN C=CC(C)(C)C(=O)N1CCC[C@H](N(C)C/C=C\Cl)C1 ZINC001267109991 770910028 /nfs/dbraw/zinc/91/00/28/770910028.db2.gz ZYXPYDZVBMUIHT-JWJUJFCLSA-N 0 1 284.831 2.874 20 30 CFEDMN N#CC(C(=O)CC1CCCC1)C(=O)Nc1ccccc1 ZINC000128074195 770963327 /nfs/dbraw/zinc/96/33/27/770963327.db2.gz MLUBLSGBZADENO-CQSZACIVSA-N 0 1 270.332 2.914 20 30 CFEDMN N#C[C@H](C(=O)Nc1ccccc1)C(=O)[C@H]1CC1(Cl)Cl ZINC000128110381 770968573 /nfs/dbraw/zinc/96/85/73/770968573.db2.gz YALZHXCRFFEXTK-VHSXEESVSA-N 0 1 297.141 2.528 20 30 CFEDMN C[C@H]1CCN(Cc2cc(C#N)ccc2Cl)CC[C@@H]1O ZINC001140599438 773196123 /nfs/dbraw/zinc/19/61/23/773196123.db2.gz CDWIBIONIKNXCZ-NHYWBVRUSA-N 0 1 278.783 2.804 20 30 CFEDMN C#CCN(C)CCNC(=O)c1ccc(C2CCCC2)cc1 ZINC001267207792 773209915 /nfs/dbraw/zinc/20/99/15/773209915.db2.gz ORVMOONLZJSQSR-UHFFFAOYSA-N 0 1 284.403 2.639 20 30 CFEDMN C=CCC(C)(C)C(=O)NCCN(C)Cc1cccc(F)c1 ZINC001267219101 773218510 /nfs/dbraw/zinc/21/85/10/773218510.db2.gz MGQWXZDKPFUVCC-UHFFFAOYSA-N 0 1 292.398 2.976 20 30 CFEDMN C=C(Cl)CN(CCCNC(=O)c1ocnc1C)C(C)C ZINC001267243930 773253927 /nfs/dbraw/zinc/25/39/27/773253927.db2.gz PEKVRCAKNZHBHH-UHFFFAOYSA-N 0 1 299.802 2.566 20 30 CFEDMN C#CCN(CC)CCNC(=O)c1csc2ccccc21 ZINC001267246658 773256562 /nfs/dbraw/zinc/25/65/62/773256562.db2.gz JJRFAGBLNGBZKS-UHFFFAOYSA-N 0 1 286.400 2.586 20 30 CFEDMN CC#CCN(CC)CCNC(=O)c1cc(C)c(CC)s1 ZINC001267255346 775106466 /nfs/dbraw/zinc/10/64/66/775106466.db2.gz XTUSMIFUYZLMHX-UHFFFAOYSA-N 0 1 292.448 2.694 20 30 CFEDMN C#CCN1CCC[C@@H]1CNC(=O)[C@H](C)CCCCCC ZINC001267278542 775144148 /nfs/dbraw/zinc/14/41/48/775144148.db2.gz MDGVAWGBLCFFLI-HZPDHXFCSA-N 0 1 278.440 2.807 20 30 CFEDMN C#CCN1CCC[C@@H]1CNC(=O)[C@@H](C)CCCCCC ZINC001267278543 775144739 /nfs/dbraw/zinc/14/47/39/775144739.db2.gz MDGVAWGBLCFFLI-JKSUJKDBSA-N 0 1 278.440 2.807 20 30 CFEDMN CC[C@H]1OC(C)=C(OCCOc2ccc(C#N)cc2)C1=O ZINC001224285994 775145845 /nfs/dbraw/zinc/14/58/45/775145845.db2.gz HHPKESPKECHKHV-CQSZACIVSA-N 0 1 287.315 2.563 20 30 CFEDMN CC1=C(OCCOc2ccccc2C)C(=O)[C@@H](C)O1 ZINC001224320503 775155931 /nfs/dbraw/zinc/15/59/31/775155931.db2.gz ZHNPTDTXKBNUGI-LLVKDONJSA-N 0 1 262.305 2.610 20 30 CFEDMN C=C(C)CN1CC[C@H]1CNC(=O)[C@@H](C)c1cccc(F)c1 ZINC001276977088 775208366 /nfs/dbraw/zinc/20/83/66/775208366.db2.gz GQRFCUWFKKCUKY-BBRMVZONSA-N 0 1 290.382 2.696 20 30 CFEDMN C#CCN(CCNC(=O)[C@H]1CC[C@H](C(C)C)CC1)C1CC1 ZINC001267334611 775218487 /nfs/dbraw/zinc/21/84/87/775218487.db2.gz CNBBNRYXPCTQOR-WKILWMFISA-N 0 1 290.451 2.663 20 30 CFEDMN C=C1O[C@@H](CC)C(=O)C1OCCCCCC(=O)OCC ZINC001224684600 775248411 /nfs/dbraw/zinc/24/84/11/775248411.db2.gz UZNOKTPMBBDKQO-LBPRGKRZSA-N 0 1 284.352 2.736 20 30 CFEDMN COc1ccc(CN2CCC[C@H](F)CC2)c(C#N)c1 ZINC001137698501 775253661 /nfs/dbraw/zinc/25/36/61/775253661.db2.gz ZOPWHCZICOCBBJ-AWEZNQCLSA-N 0 1 262.328 2.891 20 30 CFEDMN COc1ccc([C@@H](C)NCc2cncc(C#N)c2)cc1 ZINC000721571777 775255244 /nfs/dbraw/zinc/25/52/44/775255244.db2.gz ITJCLUWBDHVOTM-GFCCVEGCSA-N 0 1 267.332 2.813 20 30 CFEDMN CC#CCN[C@H](CNC(=O)C1CC1)c1ccc(C(C)C)cc1 ZINC001267512355 775407181 /nfs/dbraw/zinc/40/71/81/775407181.db2.gz IGZNSMQQQBLAST-GOSISDBHSA-N 0 1 298.430 2.990 20 30 CFEDMN C#CCN[C@H](CNC(=O)c1cc(C)oc1C)c1ccccc1 ZINC001267516483 775409768 /nfs/dbraw/zinc/40/97/68/775409768.db2.gz DJONJPKCRBBLDA-QGZVFWFLSA-N 0 1 296.370 2.590 20 30 CFEDMN COCC[C@@H]1CCCCN1Cc1ccc(OC)cc1C#N ZINC001137703072 775412951 /nfs/dbraw/zinc/41/29/51/775412951.db2.gz CABVZZWCUNSFDM-INIZCTEOSA-N 0 1 288.391 2.958 20 30 CFEDMN C#CCN[C@H](CNC(=O)c1cccc(F)c1)c1ccccc1 ZINC001267518515 775414420 /nfs/dbraw/zinc/41/44/20/775414420.db2.gz YXBWHRCEDUSJSV-QGZVFWFLSA-N 0 1 296.345 2.520 20 30 CFEDMN CCC1=C(Oc2ccc(CN(C)C)cc2)C(=O)[C@@H](C)O1 ZINC001225330986 775414432 /nfs/dbraw/zinc/41/44/32/775414432.db2.gz VPBPPWGBIVFMGV-LLVKDONJSA-N 0 1 275.348 2.736 20 30 CFEDMN CC#CCN[C@@H](CNC(=O)C[C@@H](C)C1CC1)c1ccccc1 ZINC001267526970 775424439 /nfs/dbraw/zinc/42/44/39/775424439.db2.gz VUJHXOGTSXWYTD-QAPCUYQASA-N 0 1 298.430 2.893 20 30 CFEDMN C=C1O[C@H](C)C(=O)C1Oc1cc2c(c(F)c1)C(=O)CC2 ZINC001225370787 775432801 /nfs/dbraw/zinc/43/28/01/775432801.db2.gz IZFMLMVMPWEIGV-SSDOTTSWSA-N 0 1 276.263 2.553 20 30 CFEDMN C=C[C@@](C)(CC)C(=O)N(C)C[C@H](C)NCc1ccccn1 ZINC001283664172 775488922 /nfs/dbraw/zinc/48/89/22/775488922.db2.gz VHVYXIUDBCTVQA-YOEHRIQHSA-N 0 1 289.423 2.620 20 30 CFEDMN CCC(C)(C)c1ccccc1O[C@@H]1CNC[C@@H]1C#N ZINC001218200249 775497755 /nfs/dbraw/zinc/49/77/55/775497755.db2.gz FONWJOQRDXYUEU-SWLSCSKDSA-N 0 1 258.365 2.865 20 30 CFEDMN C=C1O[C@H](CC)C(=O)C1Oc1ccc(Cl)nc1 ZINC001225596914 775518440 /nfs/dbraw/zinc/51/84/40/775518440.db2.gz FLGRWEHXPBBQCE-SECBINFHSA-N 0 1 253.685 2.723 20 30 CFEDMN CC[C@H](C)O[C@@H]1CCN(Cc2ccccc2C#N)C1 ZINC001204623809 775524474 /nfs/dbraw/zinc/52/44/74/775524474.db2.gz ZAZFJLULDFZBJO-XJKSGUPXSA-N 0 1 258.365 2.948 20 30 CFEDMN CCC[C@H](C#Cc1ccccc1)Oc1[nH]c(=O)ncc1F ZINC001225884089 775621905 /nfs/dbraw/zinc/62/19/05/775621905.db2.gz FKEIWJONBFQDCN-CYBMUJFWSA-N 0 1 286.306 2.921 20 30 CFEDMN CCCCCCCCCN1CCOC[C@@H]1CCO ZINC000694975981 775635212 /nfs/dbraw/zinc/63/52/12/775635212.db2.gz RDEBCXOWBHBUOV-HNNXBMFYSA-N 0 1 257.418 2.820 20 30 CFEDMN C=C1O[C@H](C)C(=O)C1Oc1c(F)cc(F)cc1C(C)=O ZINC001225951260 775646247 /nfs/dbraw/zinc/64/62/47/775646247.db2.gz PUTRYFGBFFICOY-SSDOTTSWSA-N 0 1 282.242 2.766 20 30 CFEDMN C=C1O[C@@H](CC)C(=O)C1Oc1ccc(C#N)c(F)c1F ZINC001226021260 775671966 /nfs/dbraw/zinc/67/19/66/775671966.db2.gz YMHLRNSLYNOVKV-VIFPVBQESA-N 0 1 279.242 2.825 20 30 CFEDMN C=C1O[C@H](C)C(=O)C1Oc1ccc(Cl)cc1C(=O)OC ZINC001226323686 775779317 /nfs/dbraw/zinc/77/93/17/775779317.db2.gz GEEPCUBQPWMHGG-SSDOTTSWSA-N 0 1 296.706 2.725 20 30 CFEDMN C=CC[C@@H](C=C)Oc1[nH]c(=O)nc2nc(Cl)ccc21 ZINC001226554775 775871852 /nfs/dbraw/zinc/87/18/52/775871852.db2.gz YANOGHAVTFUNLN-MRVPVSSYSA-N 0 1 277.711 2.893 20 30 CFEDMN CC#CCN1CCC(NC(=O)CCCC(C)(C)C)CC1 ZINC001226589306 775884315 /nfs/dbraw/zinc/88/43/15/775884315.db2.gz MHFIPEFIGHANJN-UHFFFAOYSA-N 0 1 278.440 2.807 20 30 CFEDMN C=C[C@@H](C(=O)N(C)[C@H]1CCN(CC#CC)C1)c1ccccc1 ZINC001267777449 775920309 /nfs/dbraw/zinc/92/03/09/775920309.db2.gz NRQKAVMDUQNKQG-ZWKOTPCHSA-N 0 1 296.414 2.512 20 30 CFEDMN C#C[C@H](CCCC)Oc1nc(=O)[nH]c(C)c1Br ZINC001226786884 775964335 /nfs/dbraw/zinc/96/43/35/775964335.db2.gz GCCVUAPLHHFYJZ-SECBINFHSA-N 0 1 299.168 2.824 20 30 CFEDMN C=C[C@H](CCC)Oc1nc[nH]c(=O)c1Br ZINC001226723603 775938854 /nfs/dbraw/zinc/93/88/54/775938854.db2.gz YKXMSZITVAIHKZ-SSDOTTSWSA-N 0 1 273.130 2.678 20 30 CFEDMN C=CCCCCCN1CC[C@H]2C[C@]21C(=O)NCC(F)F ZINC001277150566 775939017 /nfs/dbraw/zinc/93/90/17/775939017.db2.gz AHAWBEJEXGQPOA-SWLSCSKDSA-N 0 1 286.366 2.579 20 30 CFEDMN C=C[C@H](CC)Oc1[nH]c(=O)nc2ccc([N+](=O)[O-])cc21 ZINC001227094462 776092516 /nfs/dbraw/zinc/09/25/16/776092516.db2.gz BSMVXWWRRPTVDD-SECBINFHSA-N 0 1 275.264 2.587 20 30 CFEDMN N#CC(C(=O)CC1CCCCC1)C(=O)Nc1ccccn1 ZINC000125125692 776252228 /nfs/dbraw/zinc/25/22/28/776252228.db2.gz NJSUSDMJVJHZMD-ZDUSSCGKSA-N 0 1 285.347 2.699 20 30 CFEDMN C=CC[C@H](CCCC)Oc1nc(=O)[nH]c2c1COC2 ZINC001227686070 776255578 /nfs/dbraw/zinc/25/55/78/776255578.db2.gz FORADAZWXSXELD-SNVBAGLBSA-N 0 1 264.325 2.726 20 30 CFEDMN C#C[C@@H](CCCCC)Oc1nc(=O)[nH]c2c1CO[C@@H]2C ZINC001227709834 776265609 /nfs/dbraw/zinc/26/56/09/776265609.db2.gz HDCSOEYDCZWEHK-MNOVXSKESA-N 0 1 276.336 2.734 20 30 CFEDMN C=C[C@@H](CCCC)Oc1nc(=O)[nH]c2c1CO[C@@H]2C ZINC001227716165 776269158 /nfs/dbraw/zinc/26/91/58/776269158.db2.gz LSECSZDQQMYVQJ-ZJUUUORDSA-N 0 1 264.325 2.897 20 30 CFEDMN C[C@@H](CC(C)(C)S)Oc1[nH]c(=O)nc2cc[nH]c21 ZINC001227809488 776298018 /nfs/dbraw/zinc/29/80/18/776298018.db2.gz OPDFCEUYTWHGCZ-ZETCQYMHSA-N 0 1 267.354 2.529 20 30 CFEDMN CC#CCN1CCC[C@H]1CNC(=O)C1CCCCCC1 ZINC001027777820 776450080 /nfs/dbraw/zinc/45/00/80/776450080.db2.gz LWQAGBBSTOVILR-INIZCTEOSA-N 0 1 276.424 2.561 20 30 CFEDMN CC#CCN1CCC[C@H]1CNC(=O)[C@@H]1CCCC2(CC2)C1 ZINC001027882350 776489525 /nfs/dbraw/zinc/48/95/25/776489525.db2.gz MJKSGWRWQFHUSC-CVEARBPZSA-N 0 1 288.435 2.561 20 30 CFEDMN CC#CCN1CCC[C@H]1CNC(=O)[C@H]1CCC(C)=C(C)C1 ZINC001027904253 776501820 /nfs/dbraw/zinc/50/18/20/776501820.db2.gz SNONYPZISHKYHA-IRXDYDNUSA-N 0 1 288.435 2.727 20 30 CFEDMN CC#CCN1CCC[C@@H]1CNC(=O)[C@H]1CCC(C)=C(C)C1 ZINC001027904251 776502449 /nfs/dbraw/zinc/50/24/49/776502449.db2.gz SNONYPZISHKYHA-DLBZAZTESA-N 0 1 288.435 2.727 20 30 CFEDMN C=C[C@@H](C#CC(C)(C)C)Oc1[nH]c(=O)ncc1Cl ZINC001228483478 776504770 /nfs/dbraw/zinc/50/47/70/776504770.db2.gz TXAHTDNFJSTNMV-VIFPVBQESA-N 0 1 266.728 2.819 20 30 CFEDMN C=CCN1CCC[C@H]1CNC(=O)c1ccc2oc(C)nc2c1 ZINC001027960445 776529308 /nfs/dbraw/zinc/52/93/08/776529308.db2.gz AAINLRMGHNSDPV-AWEZNQCLSA-N 0 1 299.374 2.516 20 30 CFEDMN C=CC(C)(C)C(=O)NC1CCN(C/C=C\Cl)CC1 ZINC001228631634 776546487 /nfs/dbraw/zinc/54/64/87/776546487.db2.gz RINGQWDBTMXEKV-YVMONPNESA-N 0 1 270.804 2.532 20 30 CFEDMN C[C@H](Oc1ccc2[nH]nnc2c1)c1ccccc1C#N ZINC001228662672 776557541 /nfs/dbraw/zinc/55/75/41/776557541.db2.gz KAYKARUUUUMCKG-JTQLQIEISA-N 0 1 264.288 2.970 20 30 CFEDMN C=C(C)c1ccc(NCCN2CCSCC2)nc1 ZINC001167835421 776583897 /nfs/dbraw/zinc/58/38/97/776583897.db2.gz VIEFIDZLNDOTNJ-UHFFFAOYSA-N 0 1 263.410 2.575 20 30 CFEDMN Cc1cc(N(C)C)ncc1N[C@H]1CC[C@H](C#N)CC1 ZINC001167845086 776623994 /nfs/dbraw/zinc/62/39/94/776623994.db2.gz YHMOMGUCQCIQIJ-JOCQHMNTSA-N 0 1 258.369 2.950 20 30 CFEDMN C=CCN1CCC[C@@H]1CNC(=O)c1c(F)ccc(C)c1F ZINC001028115831 776636693 /nfs/dbraw/zinc/63/66/93/776636693.db2.gz VRUDPUZMFPHULP-GFCCVEGCSA-N 0 1 294.345 2.653 20 30 CFEDMN C=C(C)CN1CCC[C@@H]1CNC(=O)c1occc1CC ZINC001028118038 776637457 /nfs/dbraw/zinc/63/74/57/776637457.db2.gz WQOGTYMOBOGSBY-CQSZACIVSA-N 0 1 276.380 2.612 20 30 CFEDMN C=CCN1CCC[C@@H]1CNC(=O)c1ccc(C(C)C)cn1 ZINC001028135264 776651505 /nfs/dbraw/zinc/65/15/05/776651505.db2.gz OSXMOHPQNBKYSJ-OAHLLOKOSA-N 0 1 287.407 2.585 20 30 CFEDMN C=CCN1CCC[C@H]1CNC(=O)c1cc(Cl)cs1 ZINC001028178845 776680986 /nfs/dbraw/zinc/68/09/86/776680986.db2.gz XKOREIPGCFIORX-NSHDSACASA-N 0 1 284.812 2.782 20 30 CFEDMN C[C@@H](CC(C)(C)S)Oc1nnc2c[nH]ccc1-2 ZINC001228995823 776682369 /nfs/dbraw/zinc/68/23/69/776682369.db2.gz ZISDCNBYTOAISS-QMMMGPOBSA-N 0 1 251.355 2.824 20 30 CFEDMN C=C1O[C@H](CC)C(=O)C1Oc1ccc(F)c(C(=O)OC)c1 ZINC001229019666 776691934 /nfs/dbraw/zinc/69/19/34/776691934.db2.gz CWYLWJSZCJRZJZ-GFCCVEGCSA-N 0 1 294.278 2.601 20 30 CFEDMN C=C1O[C@H](C)C(=O)C1Oc1ccc(Cl)nc1Cl ZINC001229091358 776715544 /nfs/dbraw/zinc/71/55/44/776715544.db2.gz LRUSULKOMVYVSE-RXMQYKEDSA-N 0 1 274.103 2.987 20 30 CFEDMN C=CCn1cc(CN2CCCC(F)(F)CC2)cn1 ZINC001139766209 776722214 /nfs/dbraw/zinc/72/22/14/776722214.db2.gz LSMPZNZAMHQWSQ-UHFFFAOYSA-N 0 1 255.312 2.690 20 30 CFEDMN C#CCN(C)CCN(C)C(=O)[C@H](C)CC1CCCCC1 ZINC001268255521 776724439 /nfs/dbraw/zinc/72/44/39/776724439.db2.gz GKOLOMSGNDKNLE-OAHLLOKOSA-N 0 1 278.440 2.616 20 30 CFEDMN CC#CCN(C)CCN(C)C(=O)CCC1CCCCC1 ZINC001268257497 776726879 /nfs/dbraw/zinc/72/68/79/776726879.db2.gz WTCIHACCHCSJQZ-UHFFFAOYSA-N 0 1 278.440 2.760 20 30 CFEDMN CC#CC[C@H](CC)Oc1[nH]c(=O)nc2cc(OC)ccc21 ZINC001229136510 776728422 /nfs/dbraw/zinc/72/84/22/776728422.db2.gz CFJMLUDZLHEZHV-NSHDSACASA-N 0 1 286.331 2.915 20 30 CFEDMN C=CC[C@@H](C=C)Oc1[nH]c(=O)nc2cc(OC)ccc21 ZINC001229139966 776731586 /nfs/dbraw/zinc/73/15/86/776731586.db2.gz POVITHXDKNIKHC-SNVBAGLBSA-N 0 1 272.304 2.854 20 30 CFEDMN C=CCN1CCC[C@@H]1CNC(=O)c1oc(CC)cc1C ZINC001028262973 776770240 /nfs/dbraw/zinc/77/02/40/776770240.db2.gz GZJVLZBIURMRAJ-CYBMUJFWSA-N 0 1 276.380 2.531 20 30 CFEDMN C=CCN1CCC[C@@H]1CNC(=O)c1cccc(Cl)c1 ZINC001028281268 776804168 /nfs/dbraw/zinc/80/41/68/776804168.db2.gz HAFFPPDANPCUHY-CQSZACIVSA-N 0 1 278.783 2.720 20 30 CFEDMN C=C(Cl)CN[C@@H]1CCCN(C(=O)/C=C/C(C)(C)C)C1 ZINC001207701467 776813462 /nfs/dbraw/zinc/81/34/62/776813462.db2.gz KILRSKZDQDBCIU-SBDDDAINSA-N 0 1 284.831 2.922 20 30 CFEDMN CC#CCN1CCC[C@@H]1CNC(=O)c1cc(C)cc(C)c1 ZINC001028284035 776813808 /nfs/dbraw/zinc/81/38/08/776813808.db2.gz WWSWICAPFKQWHY-QGZVFWFLSA-N 0 1 284.403 2.521 20 30 CFEDMN CC#CCN1CCC(NC(=O)[C@@H](C)CC2CCCC2)CC1 ZINC001229453336 776819103 /nfs/dbraw/zinc/81/91/03/776819103.db2.gz MTMKJKLOIVBGGU-HNNXBMFYSA-N 0 1 290.451 2.807 20 30 CFEDMN CC#CCN1CCC[C@@H]1CNC(=O)c1coc2ccccc12 ZINC001028349868 776866525 /nfs/dbraw/zinc/86/65/25/776866525.db2.gz VPVYAQMIJVCLKE-CQSZACIVSA-N 0 1 296.370 2.650 20 30 CFEDMN C#C[C@@H]1CCC[C@@H]1Oc1nc2ccc(OC)cc2[nH]1 ZINC001229728815 776881389 /nfs/dbraw/zinc/88/13/89/776881389.db2.gz DKFJNRHMDIVNBO-YGRLFVJLSA-N 0 1 256.305 2.752 20 30 CFEDMN C=C(Cl)CNCCN(CC)C(=O)c1ccc(CF)cc1 ZINC001268499421 776898052 /nfs/dbraw/zinc/89/80/52/776898052.db2.gz HEMYUVUPQXIISI-UHFFFAOYSA-N 0 1 298.789 2.960 20 30 CFEDMN CC[N@H+]1CCC[C@@H](Oc2cc(F)c(F)cc2C#N)C1 ZINC001229838481 776900547 /nfs/dbraw/zinc/90/05/47/776900547.db2.gz RUCHUJCFVPIOGP-LLVKDONJSA-N 0 1 266.291 2.700 20 30 CFEDMN C=C(Cl)CNC/C=C\CNC(=O)C[C@H]1CC=CCC1 ZINC001268576044 776952039 /nfs/dbraw/zinc/95/20/39/776952039.db2.gz TXMKFCSIGYRSTK-GXMNPTEKSA-N 0 1 282.815 2.747 20 30 CFEDMN C#C[C@H](Oc1cc2[nH]ncc2cc1[N+](=O)[O-])C(C)C ZINC001230600225 777023933 /nfs/dbraw/zinc/02/39/33/777023933.db2.gz DFPBJEBIXLVCOZ-LBPRGKRZSA-N 0 1 259.265 2.508 20 30 CFEDMN C=C(C)CCC(=O)N[C@H](C)CN(C)CCC(F)(F)F ZINC001268732873 777037653 /nfs/dbraw/zinc/03/76/53/777037653.db2.gz PYAYEKMURKBECK-LLVKDONJSA-N 0 1 280.334 2.732 20 30 CFEDMN CC#CCN(C)C[C@H](C)NC(=O)[C@@](C)(CC)CCC ZINC001268753251 777045458 /nfs/dbraw/zinc/04/54/58/777045458.db2.gz UAXIODKGDBMEIW-HOCLYGCPSA-N 0 1 266.429 2.663 20 30 CFEDMN C=CC[N@H+](C)C[C@H](C)NC(=O)c1csc2c1CCCC2 ZINC001268756283 777045518 /nfs/dbraw/zinc/04/55/18/777045518.db2.gz IZDYUSPMSIBTKI-LBPRGKRZSA-N 0 1 292.448 2.863 20 30 CFEDMN C#CCN(C)C[C@H](C)NC(=O)C[C@@H]1CCCc2ccccc21 ZINC001268753363 777045839 /nfs/dbraw/zinc/04/58/39/777045839.db2.gz UFBQRIZSXMYPAH-RDJZCZTQSA-N 0 1 298.430 2.566 20 30 CFEDMN C=CCN(CCCNC(=O)/C(C)=C\C)Cc1cccnc1 ZINC001230726081 777052205 /nfs/dbraw/zinc/05/22/05/777052205.db2.gz AXCYCNKICQVPSB-WCSRMQSCSA-N 0 1 287.407 2.542 20 30 CFEDMN C#CC[C@@H](CC)Oc1[nH]c(=O)nc2cc(C)ccc21 ZINC001230888404 777083326 /nfs/dbraw/zinc/08/33/26/777083326.db2.gz MFNYVBCDCGEMMB-LLVKDONJSA-N 0 1 256.305 2.825 20 30 CFEDMN C=CCC[C@H](C)N1CC[C@H]1CN(C)C(=O)c1cncs1 ZINC001230916087 777092742 /nfs/dbraw/zinc/09/27/42/777092742.db2.gz LCBZCTKEFBKUJR-STQMWFEESA-N 0 1 293.436 2.644 20 30 CFEDMN C=CCCCC(=O)N[C@H]1CCN(Cc2ccc(F)cc2)C1 ZINC001269056747 777093708 /nfs/dbraw/zinc/09/37/08/777093708.db2.gz JSUOXFCISJYCIA-INIZCTEOSA-N 0 1 290.382 2.873 20 30 CFEDMN C=C(Cl)CNC[C@H](NC(=O)C1(C)CC(=C)C1)C1CC1 ZINC001269117088 777103803 /nfs/dbraw/zinc/10/38/03/777103803.db2.gz XMHQIHQFRVUBEN-ZDUSSCGKSA-N 0 1 282.815 2.580 20 30 CFEDMN C#CCCCC(=O)N[C@@H]1CCN(C/C=C/c2ccccc2)C1 ZINC001269121611 777106232 /nfs/dbraw/zinc/10/62/32/777106232.db2.gz GNWHGZUDUOZWNY-VEGGFIAOSA-N 0 1 296.414 2.694 20 30 CFEDMN C#CCCCCC(=O)NC[C@@H]1CCN1Cc1ccccc1C ZINC001269223413 777144341 /nfs/dbraw/zinc/14/43/41/777144341.db2.gz NTYYUUPKOADHMV-SFHVURJKSA-N 0 1 298.430 2.879 20 30 CFEDMN CC(C)(C)C#CC(=O)NC[C@@H]1CCN1CC1=CCCCC1 ZINC001269235683 777147317 /nfs/dbraw/zinc/14/73/17/777147317.db2.gz NCNSYMFYZJAWGS-INIZCTEOSA-N 0 1 288.435 2.727 20 30 CFEDMN C=C(C)CN1CC[C@H]1CN(C)C(=O)C[C@@H](C)CCC ZINC001231129498 777151284 /nfs/dbraw/zinc/15/12/84/777151284.db2.gz CJHHVNPZUWAHIM-GJZGRUSLSA-N 0 1 266.429 2.922 20 30 CFEDMN C=C(C)C[N@H+]1CC[C@@H]1CNC(=O)CCCc1ccccc1 ZINC001269284098 777159519 /nfs/dbraw/zinc/15/95/19/777159519.db2.gz AMXDKDKCHDAPLS-QGZVFWFLSA-N 0 1 286.419 2.776 20 30 CFEDMN C=C(C)CN1CC[C@@H]1CNC(=O)CCCc1ccccc1 ZINC001269284098 777159521 /nfs/dbraw/zinc/15/95/21/777159521.db2.gz AMXDKDKCHDAPLS-QGZVFWFLSA-N 0 1 286.419 2.776 20 30 CFEDMN CC#CCN1CC[C@@H](N(CC)C(=O)CC2(C)CCCC2)C1 ZINC001269323807 777169338 /nfs/dbraw/zinc/16/93/38/777169338.db2.gz BJZUNEMPWZAOIJ-MRXNPFEDSA-N 0 1 290.451 2.903 20 30 CFEDMN CCCCCCCN1CC[C@H]1CNC(=O)c1nocc1C ZINC001269326965 777171752 /nfs/dbraw/zinc/17/17/52/777171752.db2.gz PVXHXUHLWAEXSR-AWEZNQCLSA-N 0 1 293.411 2.758 20 30 CFEDMN C=CCN1CC[C@H]1CN(C)C(=O)CCCC(C)(C)C ZINC001231240431 777177027 /nfs/dbraw/zinc/17/70/27/777177027.db2.gz KFAQQARYWGEZBL-AWEZNQCLSA-N 0 1 266.429 2.922 20 30 CFEDMN C=C(C)CN1CC[C@@H]1CN(C)C(=O)CC1=CCCCC1 ZINC001231262772 777179586 /nfs/dbraw/zinc/17/95/86/777179586.db2.gz IAVWPKBJNBOOGI-MRXNPFEDSA-N 0 1 276.424 2.986 20 30 CFEDMN C=CC[C@@H](Oc1nc(C)cc(O)c1[N+](=O)[O-])C(C)C ZINC001231265115 777180983 /nfs/dbraw/zinc/18/09/83/777180983.db2.gz YMWDWYFHSKXWTJ-LLVKDONJSA-N 0 1 266.297 2.983 20 30 CFEDMN C=C(C)C(C)(C)C(=O)NC[C@@H](CC)NCc1nccs1 ZINC001269449182 777191000 /nfs/dbraw/zinc/19/10/00/777191000.db2.gz VEOGDPSECDDMCK-GFCCVEGCSA-N 0 1 295.452 2.730 20 30 CFEDMN C#Cc1ccc(C(=O)NC[C@@H](CC)NCC(=C)Cl)cc1 ZINC001269447397 777191209 /nfs/dbraw/zinc/19/12/09/777191209.db2.gz AKOKZERWZMQISY-OAHLLOKOSA-N 0 1 290.794 2.518 20 30 CFEDMN C=C(Cl)CNC1(CNC(=O)CC(C)=C(C)C)CC1 ZINC001269469752 777194742 /nfs/dbraw/zinc/19/47/42/777194742.db2.gz XNRIFUYNLBXEMA-UHFFFAOYSA-N 0 1 270.804 2.724 20 30 CFEDMN C#CCN1CC[C@H]2CC[C@@H](C1)N2C(=O)C[C@H](CC)C(C)C ZINC001269602022 777219634 /nfs/dbraw/zinc/21/96/34/777219634.db2.gz RHKAEOLXQMGKSV-BBWFWOEESA-N 0 1 290.451 2.757 20 30 CFEDMN C#CCN1CC[C@H]2CC[C@@H](C1)N2C(=O)C[C@@H](CC)C(C)C ZINC001269602025 777219832 /nfs/dbraw/zinc/21/98/32/777219832.db2.gz RHKAEOLXQMGKSV-ZACQAIPSSA-N 0 1 290.451 2.757 20 30 CFEDMN N#C[C@@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccc(C(=O)[O-])s1 ZINC001231463967 777228445 /nfs/dbraw/zinc/22/84/45/777228445.db2.gz ACWCWQUOYVJDPP-RTCCRHLQSA-N 0 1 276.361 2.713 20 30 CFEDMN C=CCCCN1CC(N(C)C(=O)[C@@H]2C[C@]2(C)C(C)C)C1 ZINC001269867210 777261792 /nfs/dbraw/zinc/26/17/92/777261792.db2.gz USQUISISPHGLNH-DOTOQJQBSA-N 0 1 278.440 2.777 20 30 CFEDMN C=CCCCN1CC(N(C)C(=O)c2cc3ccccc3[nH]2)C1 ZINC001269886719 777265757 /nfs/dbraw/zinc/26/57/57/777265757.db2.gz LRFODLCAFUFXFC-UHFFFAOYSA-N 0 1 297.402 2.890 20 30 CFEDMN CCCO[C@H]1CCN(Cc2ccc(C#N)cc2OC)C1 ZINC001231618962 777279777 /nfs/dbraw/zinc/27/97/77/777279777.db2.gz ZTNCHAHFCXRGKT-HNNXBMFYSA-N 0 1 274.364 2.568 20 30 CFEDMN C=C(Cl)CNC[C@@H]1CCCN1C(=O)/C(C)=C/CC ZINC001270016399 777289462 /nfs/dbraw/zinc/28/94/62/777289462.db2.gz RGRSTNBKPPFONZ-VKUYVZBCSA-N 0 1 270.804 2.676 20 30 CFEDMN C=C(Cl)CNC[C@H]1CCCN1C(=O)CCCC ZINC001270171963 777323211 /nfs/dbraw/zinc/32/32/11/777323211.db2.gz ROVGUWWTXQCHFP-GFCCVEGCSA-N 0 1 258.793 2.510 20 30 CFEDMN CCC[N@H+](CCC#N)Cc1ccc(OC)c(C(=O)[O-])c1 ZINC001231752203 777324329 /nfs/dbraw/zinc/32/43/29/777324329.db2.gz OFDRNIZMFRQONJ-UHFFFAOYSA-N 0 1 276.336 2.519 20 30 CFEDMN CCC[N@@H+](CCC#N)Cc1ccc(OC)c(C(=O)[O-])c1 ZINC001231752203 777324336 /nfs/dbraw/zinc/32/43/36/777324336.db2.gz OFDRNIZMFRQONJ-UHFFFAOYSA-N 0 1 276.336 2.519 20 30 CFEDMN C#CC1CCN(Cc2cccnc2OC(C)C)CC1 ZINC001231762990 777328782 /nfs/dbraw/zinc/32/87/82/777328782.db2.gz VLBUCQWFRODLJE-UHFFFAOYSA-N 0 1 258.365 2.714 20 30 CFEDMN C=CCCCCCN1CC(N(C)C(=O)[C@H]2[C@@H]3CCC[C@@H]32)C1 ZINC001277576071 777346449 /nfs/dbraw/zinc/34/64/49/777346449.db2.gz SSWNMJFTBSMYLD-FVQHAEBGSA-N 0 1 290.451 2.922 20 30 CFEDMN N#CCCN[C@@H]1CCc2cccc(Br)c2C1 ZINC000335203204 777384808 /nfs/dbraw/zinc/38/48/08/777384808.db2.gz SDZJOTPESHDZSY-LLVKDONJSA-N 0 1 279.181 2.810 20 30 CFEDMN C=CCCCCCN1CCO[C@@H](CNC(=O)C=C(C)C)C1 ZINC001270619090 777423850 /nfs/dbraw/zinc/42/38/50/777423850.db2.gz AMXCMEZUGSVGAQ-INIZCTEOSA-N 0 1 294.439 2.516 20 30 CFEDMN N#CC[C@@H]1CCCN(Cc2cc3ccncc3[nH]2)C1 ZINC001232094669 777438619 /nfs/dbraw/zinc/43/86/19/777438619.db2.gz VSYMSAMEHJYZLV-LBPRGKRZSA-N 0 1 254.337 2.689 20 30 CFEDMN C=CCN(C)Cc1cnn(C)c1-c1ccc(OC)cc1 ZINC001232109484 777442805 /nfs/dbraw/zinc/44/28/05/777442805.db2.gz APGRLFYBMFWZQP-UHFFFAOYSA-N 0 1 271.364 2.714 20 30 CFEDMN C[C@@]1(O)CCCN(Cc2ccc(C#N)c(Cl)c2)C1 ZINC001232115474 777445354 /nfs/dbraw/zinc/44/53/54/777445354.db2.gz QLZYJUUSAOYEBG-CQSZACIVSA-N 0 1 264.756 2.558 20 30 CFEDMN C=CC(C)(C)C(=O)N(C)C1CN(CCC2CCCC2)C1 ZINC001277637240 777494577 /nfs/dbraw/zinc/49/45/77/777494577.db2.gz VCVQXCZTHYHREO-UHFFFAOYSA-N 0 1 278.440 2.922 20 30 CFEDMN CC#CCN1CC[C@H](NC(=O)c2ccccc2C)[C@H]1CC ZINC001087490139 777500370 /nfs/dbraw/zinc/50/03/70/777500370.db2.gz IMDNNYZEWUELII-DLBZAZTESA-N 0 1 284.403 2.601 20 30 CFEDMN N#Cc1c[nH]c2cc(N(C(=N)N)c3ccc(F)cc3)cnc12 ZINC001167995196 777526411 /nfs/dbraw/zinc/52/64/11/777526411.db2.gz VOLRXTPUPCKPFZ-UHFFFAOYSA-N 0 1 294.293 2.605 20 30 CFEDMN C=C(C)CCN1CC(N(C)C(=O)C[C@H](C)C(F)(F)F)C1 ZINC001277652044 777532660 /nfs/dbraw/zinc/53/26/60/777532660.db2.gz NBGPJWOTMYEHFS-NSHDSACASA-N 0 1 292.345 2.684 20 30 CFEDMN C=CC[C@@H](C=C)Oc1[nH]c(=O)nc2ccc(F)cc21 ZINC001226407152 777534585 /nfs/dbraw/zinc/53/45/85/777534585.db2.gz LHVKHEOIYRQLLJ-SNVBAGLBSA-N 0 1 260.268 2.984 20 30 CFEDMN COc1cc(C)c(CN2CCC[C@@H](CC#N)C2)cn1 ZINC001232352264 777534724 /nfs/dbraw/zinc/53/47/24/777534724.db2.gz IRVHBUORDXERHQ-ZDUSSCGKSA-N 0 1 259.353 2.524 20 30 CFEDMN C=C(C)CCC(=O)N(C)[C@H](CNCC(=C)Cl)C1CC1 ZINC001277655444 777549371 /nfs/dbraw/zinc/54/93/71/777549371.db2.gz OODWOMSGJPQKTC-CQSZACIVSA-N 0 1 284.831 2.922 20 30 CFEDMN Cc1nc(C[NH+]2CCC(c3ccc(C#N)cc3)CC2)c[nH]1 ZINC001232465277 777569547 /nfs/dbraw/zinc/56/95/47/777569547.db2.gz HANGSIVGRORPIV-UHFFFAOYSA-N 0 1 280.375 2.969 20 30 CFEDMN Cc1nc(CN2CCC(c3ccc(C#N)cc3)CC2)c[nH]1 ZINC001232465277 777569551 /nfs/dbraw/zinc/56/95/51/777569551.db2.gz HANGSIVGRORPIV-UHFFFAOYSA-N 0 1 280.375 2.969 20 30 CFEDMN CC(C)N(CCCO)Cc1ccc(Cl)cc1C#N ZINC001232609171 777612652 /nfs/dbraw/zinc/61/26/52/777612652.db2.gz ONORFXQVTHWCQO-UHFFFAOYSA-N 0 1 266.772 2.804 20 30 CFEDMN C=C1CC(C)(C(=O)NC[C@]2(C)CCCN(CCF)C2)C1 ZINC001270990680 777622217 /nfs/dbraw/zinc/62/22/17/777622217.db2.gz DBMJQQFIDKKOKL-HNNXBMFYSA-N 0 1 282.403 2.531 20 30 CFEDMN N#C[C@@H]1CCN(Cc2cc(F)c(O)c(Br)c2)C1 ZINC001232633055 777625711 /nfs/dbraw/zinc/62/57/11/777625711.db2.gz CTJLLXDVWRJJAA-QMMMGPOBSA-N 0 1 299.143 2.639 20 30 CFEDMN C=CC[N@H+](C)Cc1cc(F)c([O-])c(Br)c1 ZINC001232633325 777626070 /nfs/dbraw/zinc/62/60/70/777626070.db2.gz LALXSIDNSUCSNF-UHFFFAOYSA-N 0 1 274.133 2.912 20 30 CFEDMN N#Cc1ccc([O-])c(C[N@H+]2CCc3cc(F)ccc3C2)c1 ZINC001232677341 777637879 /nfs/dbraw/zinc/63/78/79/777637879.db2.gz BCNKPBMMZCYPMJ-UHFFFAOYSA-N 0 1 282.318 2.961 20 30 CFEDMN N#Cc1ccc(O)c(CN2CC(Oc3ccc(F)cc3)C2)c1 ZINC001232679082 777640240 /nfs/dbraw/zinc/64/02/40/777640240.db2.gz ZTNRRXLFSSRXDD-UHFFFAOYSA-N 0 1 298.317 2.666 20 30 CFEDMN N#Cc1ccc([O-])c(C[NH+]2CC(Oc3ccc(F)cc3)C2)c1 ZINC001232679082 777640244 /nfs/dbraw/zinc/64/02/44/777640244.db2.gz ZTNRRXLFSSRXDD-UHFFFAOYSA-N 0 1 298.317 2.666 20 30 CFEDMN C[N@H+](Cc1cc(C#N)ccc1[O-])CC1CC(F)(F)C1 ZINC001232678612 777640939 /nfs/dbraw/zinc/64/09/39/777640939.db2.gz JYYYNQSRLSTRLR-UHFFFAOYSA-N 0 1 266.291 2.741 20 30 CFEDMN COC(=O)c1cccc2c(CN3CCC(C#N)CC3)c[nH]c21 ZINC001232706560 777645256 /nfs/dbraw/zinc/64/52/56/777645256.db2.gz XAVTWMRAGNDERS-UHFFFAOYSA-N 0 1 297.358 2.690 20 30 CFEDMN N#CCC[N@H+](Cc1ccc(CCO)cc1)C1CCCC1 ZINC001232777623 777662323 /nfs/dbraw/zinc/66/23/23/777662323.db2.gz MRAXDHFJRSGDOH-UHFFFAOYSA-N 0 1 272.392 2.880 20 30 CFEDMN N#CCCN(Cc1ccc(CCO)cc1)C1CCCC1 ZINC001232777623 777662327 /nfs/dbraw/zinc/66/23/27/777662327.db2.gz MRAXDHFJRSGDOH-UHFFFAOYSA-N 0 1 272.392 2.880 20 30 CFEDMN CC#CCN1CC[C@H](NC(=O)[C@H]2CCCC23CC3)[C@H]1CC ZINC001087622714 777668010 /nfs/dbraw/zinc/66/80/10/777668010.db2.gz BZHVULSVRZZRPD-OWCLPIDISA-N 0 1 288.435 2.559 20 30 CFEDMN C#CCN1CC[C@H](NC(=O)c2cc(C)sc2C)[C@H]1CC ZINC001087645679 777672780 /nfs/dbraw/zinc/67/27/80/777672780.db2.gz PDJJTFLPEVADOS-LSDHHAIUSA-N 0 1 290.432 2.581 20 30 CFEDMN C=CCN1CC[C@H](NC(=O)c2occc2CC)[C@H]1CC ZINC001087714522 777685597 /nfs/dbraw/zinc/68/55/97/777685597.db2.gz RHVNWSDFWCMECH-UONOGXRCSA-N 0 1 276.380 2.611 20 30 CFEDMN C=C1CCC(C(=O)N[C@H]2CCN(CC#CC)[C@@H]2CC)CC1 ZINC001087714135 777686160 /nfs/dbraw/zinc/68/61/60/777686160.db2.gz REYFRSTUGLSXIL-DLBZAZTESA-N 0 1 288.435 2.725 20 30 CFEDMN CCc1ncnc2c1CC[N@@H+](Cc1ccc(C#N)s1)CC2 ZINC001232842649 777689600 /nfs/dbraw/zinc/68/96/00/777689600.db2.gz LEIITZZHYIHUFG-UHFFFAOYSA-N 0 1 298.415 2.573 20 30 CFEDMN CCc1ncnc2c1CCN(Cc1ccc(C#N)s1)CC2 ZINC001232842649 777689606 /nfs/dbraw/zinc/68/96/06/777689606.db2.gz LEIITZZHYIHUFG-UHFFFAOYSA-N 0 1 298.415 2.573 20 30 CFEDMN CC1(C)C[N@@H+](Cc2ccc(C#N)s2)[C@](C)(CO)C1 ZINC001232842333 777689709 /nfs/dbraw/zinc/68/97/09/777689709.db2.gz YKXSRLOSYVSTTP-AWEZNQCLSA-N 0 1 264.394 2.603 20 30 CFEDMN C=CC[N@@H+]1CC[C@H](NC(=O)c2cc(C)ccc2F)[C@H]1CC ZINC001087740429 777691021 /nfs/dbraw/zinc/69/10/21/777691021.db2.gz DXQQFZYKSDHTOX-JKSUJKDBSA-N 0 1 290.382 2.903 20 30 CFEDMN N#Cc1ccc(CN2CC[C@@H]3CCCO[C@H]3C2)s1 ZINC001232844489 777691482 /nfs/dbraw/zinc/69/14/82/777691482.db2.gz RCQNQZPESWVGQE-FZMZJTMJSA-N 0 1 262.378 2.621 20 30 CFEDMN C[C@@H]1CN(Cc2cc(F)ccc2C#N)CCC[C@]1(C)O ZINC001232888821 777708853 /nfs/dbraw/zinc/70/88/53/777708853.db2.gz PKVNMKPHDGWWBB-WBMJQRKESA-N 0 1 276.355 2.680 20 30 CFEDMN C[C@@H]1CCN(Cc2cccc(C#N)n2)CCC1(F)F ZINC001232921661 777721578 /nfs/dbraw/zinc/72/15/78/777721578.db2.gz BPIKZIXHOLPFGD-LLVKDONJSA-N 0 1 265.307 2.820 20 30 CFEDMN Cc1ccc(CN(C)CCc2cccnc2)c(C#N)c1 ZINC001232966965 777742368 /nfs/dbraw/zinc/74/23/68/777742368.db2.gz ZRGCTWDCKJRDKI-UHFFFAOYSA-N 0 1 265.360 2.936 20 30 CFEDMN N#CCC1CN(Cc2c(O)cc(Br)cc2F)C1 ZINC001233026690 777769388 /nfs/dbraw/zinc/76/93/88/777769388.db2.gz CTOPMEZLCFDPHG-UHFFFAOYSA-N 0 1 299.143 2.639 20 30 CFEDMN N#C[C@@H]1C[C@H]2CC[C@@H](C1)N2Cc1cc(Cl)ncc1O ZINC001233034224 777772904 /nfs/dbraw/zinc/77/29/04/777772904.db2.gz HUUSSVDXMHVOTO-WLLOZRIZSA-N 0 1 277.755 2.707 20 30 CFEDMN CN(C)c1ccc(CN2C[C@@H]3C[C@H]2C[C@H]3F)c(F)c1C#N ZINC001233100723 777794617 /nfs/dbraw/zinc/79/46/17/777794617.db2.gz KXTWOSJRUCRCRO-SGMGOOAPSA-N 0 1 291.345 2.696 20 30 CFEDMN CN(C)c1ccc(CN2C3CCC2CC3)c(F)c1C#N ZINC001233100899 777795049 /nfs/dbraw/zinc/79/50/49/777795049.db2.gz MUSVVISHZQZAIJ-UHFFFAOYSA-N 0 1 273.355 2.890 20 30 CFEDMN CCCN(CCC#N)Cc1n[nH]c2cc(F)ccc21 ZINC001233123461 777802295 /nfs/dbraw/zinc/80/22/95/777802295.db2.gz SFVOSDYCJCPIQS-UHFFFAOYSA-N 0 1 260.316 2.828 20 30 CFEDMN C=CCN(C)Cc1c2ccccc2n(C)c1C(=O)OCC ZINC001233272410 777857253 /nfs/dbraw/zinc/85/72/53/777857253.db2.gz KHWLRGSMKZOMFZ-UHFFFAOYSA-N 0 1 286.375 2.973 20 30 CFEDMN N#Cc1ccc(C[N@H+]2CC[C@@H](F)C(F)(F)CC2)c([O-])c1 ZINC001233383558 777926924 /nfs/dbraw/zinc/92/69/24/777926924.db2.gz MLQBBZBADRDMCM-CYBMUJFWSA-N 0 1 284.281 2.833 20 30 CFEDMN N#Cc1ccc(CN2CCCC[C@@H]2C[NH+]2CCCC2)c([O-])c1 ZINC001233386022 777927266 /nfs/dbraw/zinc/92/72/66/777927266.db2.gz BUMSGTMQHTYSHF-QGZVFWFLSA-N 0 1 299.418 2.714 20 30 CFEDMN N#Cc1ccc(C[N@H+]2CCc3sccc3C2)c([O-])c1 ZINC001233384520 777927348 /nfs/dbraw/zinc/92/73/48/777927348.db2.gz YKVGEHBTTQODGF-UHFFFAOYSA-N 0 1 270.357 2.884 20 30 CFEDMN C[C@@]1(F)CCC[N@@H+](Cc2ccc(C#N)cc2[O-])CC1 ZINC001233383505 777927455 /nfs/dbraw/zinc/92/74/55/777927455.db2.gz KLUDLPBACKLRKA-OAHLLOKOSA-N 0 1 262.328 2.978 20 30 CFEDMN N#Cc1ccc(Cl)cc1O[C@@H]1CN2CCC1CC2 ZINC001228083833 778009272 /nfs/dbraw/zinc/00/92/72/778009272.db2.gz FDKUVDCQRULXNS-CQSZACIVSA-N 0 1 262.740 2.685 20 30 CFEDMN CC/C(C)=C\C(=O)N(C)C[C@H](C)NCc1ccccc1C#N ZINC001277809097 778084994 /nfs/dbraw/zinc/08/49/94/778084994.db2.gz FHFZJKOVEAMUOJ-LTBFUDJGSA-N 0 1 299.418 2.851 20 30 CFEDMN C=C1O[C@H](C)C(=O)C1Oc1ccc(Cl)c(C#N)c1 ZINC001233922977 778114035 /nfs/dbraw/zinc/11/40/35/778114035.db2.gz HYQNKFGTOISKLM-SSDOTTSWSA-N 0 1 263.680 2.810 20 30 CFEDMN C#C[C@@H]1CCC[C@H]1Oc1nc2cccc(C(=O)OC)c2[n-]1 ZINC001234043969 778150470 /nfs/dbraw/zinc/15/04/70/778150470.db2.gz HEVVDHKPBYQLJZ-ZWNOBZJWSA-N 0 1 284.315 2.530 20 30 CFEDMN C#C[C@@H]1CCC[C@H]1Oc1nc2cccc(C(=O)OC)c2[nH]1 ZINC001234043969 778150472 /nfs/dbraw/zinc/15/04/72/778150472.db2.gz HEVVDHKPBYQLJZ-ZWNOBZJWSA-N 0 1 284.315 2.530 20 30 CFEDMN C#CC[C@@H](CC)Oc1nc2cccc(C(=O)OC)c2[n-]1 ZINC001234044428 778151148 /nfs/dbraw/zinc/15/11/48/778151148.db2.gz JZJWCMHCSCRNGD-SNVBAGLBSA-N 0 1 272.304 2.530 20 30 CFEDMN C#CC[C@@H](CC)Oc1nc2cccc(C(=O)OC)c2[nH]1 ZINC001234044428 778151152 /nfs/dbraw/zinc/15/11/52/778151152.db2.gz JZJWCMHCSCRNGD-SNVBAGLBSA-N 0 1 272.304 2.530 20 30 CFEDMN C=CC(C)(C)CCCN[C@@H](c1nnc[nH]1)c1cccnc1 ZINC000872101489 778170161 /nfs/dbraw/zinc/17/01/61/778170161.db2.gz MKMPPTMLZAQLEA-CQSZACIVSA-N 0 1 285.395 2.871 20 30 CFEDMN C=C(C)CN1CC[C@@H]1CNC(=O)C1CCCCCC1 ZINC001038105221 778173505 /nfs/dbraw/zinc/17/35/05/778173505.db2.gz QKDSVOICRRNOIB-OAHLLOKOSA-N 0 1 264.413 2.723 20 30 CFEDMN CN(C[C@H]1CCN1Cc1ccccc1)C(=O)C#CC(C)(C)C ZINC001234194488 778182848 /nfs/dbraw/zinc/18/28/48/778182848.db2.gz DLTGSGIEMOXDTR-QGZVFWFLSA-N 0 1 298.430 2.769 20 30 CFEDMN C#C[C@H](CCCC)Oc1[nH]c(=O)nc2cccc(C#N)c21 ZINC001234514468 778241402 /nfs/dbraw/zinc/24/14/02/778241402.db2.gz WFWNYQQOXNHOCB-GFCCVEGCSA-N 0 1 281.315 2.778 20 30 CFEDMN C=C[C@H](CC)Oc1nc(C)[nH]c(=O)c1Br ZINC001234571348 778255013 /nfs/dbraw/zinc/25/50/13/778255013.db2.gz FHNCJFFRYXQXKS-SSDOTTSWSA-N 0 1 273.130 2.597 20 30 CFEDMN CC[C@@H](C#Cc1ccccc1)Oc1nc(F)nc2nc[nH]c21 ZINC001234691901 778290276 /nfs/dbraw/zinc/29/02/76/778290276.db2.gz IWVKYKQOPLSALM-LBPRGKRZSA-N 0 1 296.305 2.701 20 30 CFEDMN C=C(C)C[C@H](Oc1nc(F)nc2nc[nH]c21)C(=C)C ZINC001234693960 778291232 /nfs/dbraw/zinc/29/12/32/778291232.db2.gz UWUYJOLWGRCSTO-VIFPVBQESA-N 0 1 262.288 2.782 20 30 CFEDMN C=C(Cl)CN[C@@H](C)CN(C)C(=O)C(C)(C)C(=C)C ZINC001277899889 778308953 /nfs/dbraw/zinc/30/89/53/778308953.db2.gz JJXSZLCKPSPQRC-LBPRGKRZSA-N 0 1 272.820 2.778 20 30 CFEDMN [O-]N=Cc1ccccc1OC1CC[NH+](C2CC2)CC1 ZINC001234819017 778299023 /nfs/dbraw/zinc/29/90/23/778299023.db2.gz GKRCKOSHKVSONG-UHFFFAOYSA-N 0 1 260.337 2.500 20 30 CFEDMN C[NH+](C)C1CCC(Oc2ccccc2C=N[O-])CC1 ZINC001234819853 778302517 /nfs/dbraw/zinc/30/25/17/778302517.db2.gz PRDZYMYFONNRLW-UHFFFAOYSA-N 0 1 262.353 2.746 20 30 CFEDMN ON=Cc1ccccc1OC[C@@H]1COc2ccccc2O1 ZINC001234822147 778303035 /nfs/dbraw/zinc/30/30/35/778303035.db2.gz KXOOYKQMUNWGOF-CYBMUJFWSA-N 0 1 285.299 2.714 20 30 CFEDMN Cc1nc2[nH]cnc2c(O[C@@H](C)CC(C)(C)S)n1 ZINC001229438839 778305589 /nfs/dbraw/zinc/30/55/89/778305589.db2.gz XMFILPLAEWPIMJ-ZETCQYMHSA-N 0 1 266.370 2.527 20 30 CFEDMN C=CCN1CC[C@H](NC(=O)c2csc(C)c2C)[C@H]1C ZINC001088590264 778310339 /nfs/dbraw/zinc/31/03/39/778310339.db2.gz SHAQOYCQDMCYEO-RISCZKNCSA-N 0 1 278.421 2.744 20 30 CFEDMN C=C1O[C@@H](C)C(=O)C1Oc1cc(OC)cc(OC)c1Cl ZINC001234884249 778320877 /nfs/dbraw/zinc/32/08/77/778320877.db2.gz IWKOCARGDPTGNP-ZETCQYMHSA-N 0 1 298.722 2.955 20 30 CFEDMN CCOC(=O)c1cc(C[N@@H+](C)Cc2ccc(C#N)cc2)c[nH]1 ZINC001234947649 778337232 /nfs/dbraw/zinc/33/72/32/778337232.db2.gz UEUSUJHJBMLECU-UHFFFAOYSA-N 0 1 297.358 2.695 20 30 CFEDMN CCOC(=O)c1cc(CN(C)Cc2ccc(C#N)cc2)c[nH]1 ZINC001234947649 778337238 /nfs/dbraw/zinc/33/72/38/778337238.db2.gz UEUSUJHJBMLECU-UHFFFAOYSA-N 0 1 297.358 2.695 20 30 CFEDMN CC#CCN(C)CCN(C)C(=O)c1cccc(Cl)c1F ZINC001272098882 778344344 /nfs/dbraw/zinc/34/43/44/778344344.db2.gz YYOXSNDFZIOXOU-UHFFFAOYSA-N 0 1 296.773 2.506 20 30 CFEDMN CC#CCN(C)CCN(C)C(=O)C[C@@H]1CCCC[C@@H]1C ZINC001272185550 778369643 /nfs/dbraw/zinc/36/96/43/778369643.db2.gz PAJIUCWBVYNFGM-HOTGVXAUSA-N 0 1 278.440 2.616 20 30 CFEDMN N#C[C@H]1CCN(Cc2cc(Br)cc(F)c2O)C1 ZINC001235069854 778369765 /nfs/dbraw/zinc/36/97/65/778369765.db2.gz XTNHXTUETLNQTM-MRVPVSSYSA-N 0 1 299.143 2.639 20 30 CFEDMN C=CCCCC(=O)N(C)C[C@H](C)NCc1ncc(C)s1 ZINC001277921573 778374487 /nfs/dbraw/zinc/37/44/87/778374487.db2.gz HIZYFSYILAJNOH-LBPRGKRZSA-N 0 1 295.452 2.744 20 30 CFEDMN C=CCCCC(=O)N(C)C[C@@H](C)NCc1ncc(C)s1 ZINC001277921572 778374500 /nfs/dbraw/zinc/37/45/00/778374500.db2.gz HIZYFSYILAJNOH-GFCCVEGCSA-N 0 1 295.452 2.744 20 30 CFEDMN N#CCC1CN(Cc2cccc(N3CCCC3)c2)C1 ZINC001235091233 778377426 /nfs/dbraw/zinc/37/74/26/778377426.db2.gz ZNLKLAKUESWDQB-UHFFFAOYSA-N 0 1 255.365 2.632 20 30 CFEDMN CC(C)N1CC(Nc2cc(Cl)nc3[nH]cc(C#N)c32)C1 ZINC001168313104 778424204 /nfs/dbraw/zinc/42/42/04/778424204.db2.gz IOVWIOMVSCYPMM-UHFFFAOYSA-N 0 1 289.770 2.592 20 30 CFEDMN CC(C)N1CC(Nc2ccc3nc(C#N)ccc3c2)C1 ZINC001168317484 778427978 /nfs/dbraw/zinc/42/79/78/778427978.db2.gz NOOQEBAUWATWCD-UHFFFAOYSA-N 0 1 266.348 2.611 20 30 CFEDMN C=C[C@](C)(CC)C(=O)N(C)C[C@@H](C)NCC(=C)Cl ZINC001277930170 778430851 /nfs/dbraw/zinc/43/08/51/778430851.db2.gz WZAYLMJMKSAMEO-TZMCWYRMSA-N 0 1 272.820 2.778 20 30 CFEDMN C=C(C)CN1CC[C@H](NC(=O)c2cc3ncccc3o2)[C@H]1C ZINC001088753638 778471663 /nfs/dbraw/zinc/47/16/63/778471663.db2.gz DMWSQZFCUPDFOK-OLZOCXBDSA-N 0 1 299.374 2.597 20 30 CFEDMN C#CCN(CC#C)Cc1ccccc1-c1ccncc1 ZINC001235623376 778524566 /nfs/dbraw/zinc/52/45/66/778524566.db2.gz OQVMEXRMVBPPDD-UHFFFAOYSA-N 0 1 260.340 2.817 20 30 CFEDMN C=CCN1C[C@@H]2CCN(C(=O)c3ccc(CC)s3)[C@@H]2C1 ZINC001076004355 778526440 /nfs/dbraw/zinc/52/64/40/778526440.db2.gz HWGUJEWMWKPGFS-GXTWGEPZSA-N 0 1 290.432 2.643 20 30 CFEDMN C=C(C)CN1CC[C@H](NC(=O)c2nc(Cl)cs2)[C@H]1C ZINC001088817820 778530540 /nfs/dbraw/zinc/53/05/40/778530540.db2.gz IYIDRSPRZZGAPL-ZJUUUORDSA-N 0 1 299.827 2.565 20 30 CFEDMN C=CCCC[N@@H+]1CC[C@@H]1CN(C)C(=O)[C@@H]1CCC1(F)F ZINC001235682420 778535985 /nfs/dbraw/zinc/53/59/85/778535985.db2.gz DIOWGXJGPQSAOG-OLZOCXBDSA-N 0 1 286.366 2.531 20 30 CFEDMN CC#CCN1CC[C@H](NC(=O)c2ccc(CCC)cc2)[C@H]1C ZINC001088826826 778547157 /nfs/dbraw/zinc/54/71/57/778547157.db2.gz JFYNNLLYGKSUOX-QAPCUYQASA-N 0 1 298.430 2.855 20 30 CFEDMN C#CCN1C[C@@H]2CCN(C(=O)CC3(C)CCCCC3)[C@@H]2C1 ZINC001076021631 778559002 /nfs/dbraw/zinc/55/90/02/778559002.db2.gz LZGJOCKGBIVBPW-JKSUJKDBSA-N 0 1 288.435 2.513 20 30 CFEDMN C=CCN1C[C@@H]2CCN(C(=O)c3ccccc3Cl)[C@@H]2C1 ZINC001076487652 778591457 /nfs/dbraw/zinc/59/14/57/778591457.db2.gz IGFTZWRVADMURJ-SWLSCSKDSA-N 0 1 290.794 2.672 20 30 CFEDMN OCc1c(F)ccc(-c2ccccc2C=NO)c1F ZINC001235897312 778597559 /nfs/dbraw/zinc/59/75/59/778597559.db2.gz ZFINEKCZXYVDJO-UHFFFAOYSA-N 0 1 263.243 2.932 20 30 CFEDMN C=C(C)c1cncc(-c2ccc(N3CCN(C)CC3)nc2)c1 ZINC001235974783 778635461 /nfs/dbraw/zinc/63/54/61/778635461.db2.gz YUVIVTDQYZQJFT-UHFFFAOYSA-N 0 1 294.402 2.929 20 30 CFEDMN C=C1O[C@H](CC)C(=O)C1OCCCCO[C@H]1CCCCO1 ZINC001224916776 778745827 /nfs/dbraw/zinc/74/58/27/778745827.db2.gz YGGNCCWJZHEANJ-KGLIPLIRSA-N 0 1 298.379 2.936 20 30 CFEDMN CCCCCC(=O)C(C#N)C(=O)Nc1ccccc1OC ZINC000129799010 778836497 /nfs/dbraw/zinc/83/64/97/778836497.db2.gz FHDRAAGTSOEDJK-GFCCVEGCSA-N 0 1 288.347 2.923 20 30 CFEDMN CC(C)Oc1cc(-c2cc3[nH]cnc3c(C#N)n2)ccn1 ZINC001236549140 778874712 /nfs/dbraw/zinc/87/47/12/778874712.db2.gz WFBWBAFFEGUUHP-UHFFFAOYSA-N 0 1 279.303 2.679 20 30 CFEDMN COc1cc([O-])c(C[NH+]2CCC(S)CC2)c(Cl)c1 ZINC001236802138 778945195 /nfs/dbraw/zinc/94/51/95/778945195.db2.gz HPEBOLVYIAOSEH-UHFFFAOYSA-N 0 1 287.812 2.948 20 30 CFEDMN C=CCN1CC[C@H](NC(=O)[C@@]2(C)C[C@@H]2c2ccccc2)[C@H]1C ZINC001088911980 778945265 /nfs/dbraw/zinc/94/52/65/778945265.db2.gz XJXBICFOJGNJNY-NWGLXNPWSA-N 0 1 298.430 2.945 20 30 CFEDMN CCN(CCC#N)Cc1ccc(OC)c(Cl)c1O ZINC001236814028 778949931 /nfs/dbraw/zinc/94/99/31/778949931.db2.gz STZPWOMXODXCOE-UHFFFAOYSA-N 0 1 268.744 2.790 20 30 CFEDMN C#CCN1CC[C@H](NC(=O)c2cccc3ccsc32)[C@H]1C ZINC001088958936 778960714 /nfs/dbraw/zinc/96/07/14/778960714.db2.gz CGTPNXUQYZTPLJ-DOMZBBRYSA-N 0 1 298.411 2.727 20 30 CFEDMN C=CCN1CC[C@H](NC(=O)c2cccc(C3CC3)c2)[C@H]1C ZINC001089065204 778984122 /nfs/dbraw/zinc/98/41/22/778984122.db2.gz TVERVIOOJUKJEN-DYVFJYSZSA-N 0 1 284.403 2.943 20 30 CFEDMN N#C[C@H]1CN(Cc2ccnc3c(Cl)cccc23)CCC1=O ZINC001237142748 779025440 /nfs/dbraw/zinc/02/54/40/779025440.db2.gz BZOYQUGCDAUGKG-LBPRGKRZSA-N 0 1 299.761 2.803 20 30 CFEDMN Cn1cc(CN2CC3(C2)CCCOC3)c2cc(C#N)ccc21 ZINC001237464916 779113847 /nfs/dbraw/zinc/11/38/47/779113847.db2.gz FZXDLTBQOFYVLB-UHFFFAOYSA-N 0 1 295.386 2.662 20 30 CFEDMN Cc1ccccc1O[C@@H]1CCN(Cc2ccnc(C#N)c2)C1 ZINC001237469673 779115484 /nfs/dbraw/zinc/11/54/84/779115484.db2.gz DSOFQJHRMGAZJT-QGZVFWFLSA-N 0 1 293.370 2.915 20 30 CFEDMN C=CCN(C)Cc1cnc(C)c(Br)c1 ZINC001237561692 779134491 /nfs/dbraw/zinc/13/44/91/779134491.db2.gz OMKHSFZIPRNRGF-UHFFFAOYSA-N 0 1 255.159 2.770 20 30 CFEDMN N#Cc1ccc2nc(CN3CCCCCC3)cn2c1 ZINC001237609444 779141583 /nfs/dbraw/zinc/14/15/83/779141583.db2.gz RHJDYNYOZKGCCZ-UHFFFAOYSA-N 0 1 254.337 2.582 20 30 CFEDMN N#Cc1ccc2nc(CN3CCC[C@H](F)CC3)cn2c1 ZINC001237609384 779141801 /nfs/dbraw/zinc/14/18/01/779141801.db2.gz QKRHLQQYIPJPDG-ZDUSSCGKSA-N 0 1 272.327 2.530 20 30 CFEDMN C#CCN(C(=O)[C@H](C)CC)C1CCN(C/C=C/Cl)CC1 ZINC001278121722 779142872 /nfs/dbraw/zinc/14/28/72/779142872.db2.gz KWELYJGXWXLGFL-VIIAAUOXSA-N 0 1 296.842 2.711 20 30 CFEDMN C[C@@H]1CCCN(Cc2cn3cc(C#N)ccc3n2)[C@H]1C ZINC001237615675 779144795 /nfs/dbraw/zinc/14/47/95/779144795.db2.gz YLHLSPOTWGSPHE-OLZOCXBDSA-N 0 1 268.364 2.826 20 30 CFEDMN C=C(C)CN1CC[C@@]2(CCCN2CCC(F)(F)F)C1=O ZINC001272502664 779149584 /nfs/dbraw/zinc/14/95/84/779149584.db2.gz RXRBJVLYDIZNJW-ZDUSSCGKSA-N 0 1 290.329 2.582 20 30 CFEDMN C#CCN1CC(C)(C)CC[C@H]1CNC(=O)CC(C)=C(C)C ZINC001099181478 779167619 /nfs/dbraw/zinc/16/76/19/779167619.db2.gz ABNRSRCFAXFKLD-INIZCTEOSA-N 0 1 290.451 2.973 20 30 CFEDMN C[C@@]1(O)CCCCN(Cc2cc(Cl)cc(C#N)c2)C1 ZINC001237745216 779173205 /nfs/dbraw/zinc/17/32/05/779173205.db2.gz DLDVBOZAOPBFKH-OAHLLOKOSA-N 0 1 278.783 2.949 20 30 CFEDMN C[C@@]1(O)CCCC[N@@H+](Cc2cc(Cl)cc(C#N)c2)C1 ZINC001237745216 779173198 /nfs/dbraw/zinc/17/31/98/779173198.db2.gz DLDVBOZAOPBFKH-OAHLLOKOSA-N 0 1 278.783 2.949 20 30 CFEDMN C[C@H]1CC[C@@H](CO)CN1Cc1cc(Cl)cc(C#N)c1 ZINC001237746399 779173587 /nfs/dbraw/zinc/17/35/87/779173587.db2.gz MHRDZHXJNDVAIE-NWDGAFQWSA-N 0 1 278.783 2.804 20 30 CFEDMN C=C(C)CCN1CC(NC(=O)C[C@H]2CCc3ccccc32)C1 ZINC001031125654 779235020 /nfs/dbraw/zinc/23/50/20/779235020.db2.gz SSQKCNHMTOTBIL-MRXNPFEDSA-N 0 1 298.430 2.873 20 30 CFEDMN Cc1csc(C(C#N)C(=O)C=Cc2nccs2)n1 ZINC001122491409 779253397 /nfs/dbraw/zinc/25/33/97/779253397.db2.gz CDDVYDUCCJCZAR-XADBCAIWSA-N 0 1 275.358 2.798 20 30 CFEDMN C[C@]1(C#N)CCN(Cc2cc(Cl)c(O)cc2F)C1 ZINC001238153388 779261079 /nfs/dbraw/zinc/26/10/79/779261079.db2.gz BQYZNCJQIMNMFO-CYBMUJFWSA-N 0 1 268.719 2.920 20 30 CFEDMN N#Cc1cc(CN2CC[C@@H]3COC[C@@H]3C2)ccc1Cl ZINC001238188541 779273883 /nfs/dbraw/zinc/27/38/83/779273883.db2.gz FEEQDPODODSNRI-OCCSQVGLSA-N 0 1 276.767 2.680 20 30 CFEDMN N#Cc1cc(CN2CCCC[C@](O)(CF)C2)ccc1Cl ZINC001238189789 779274610 /nfs/dbraw/zinc/27/46/10/779274610.db2.gz WPNXXXBYCFZXON-HNNXBMFYSA-N 0 1 296.773 2.898 20 30 CFEDMN COC[C@@H]1CCN(Cc2ccc(Cl)c(C#N)c2)C1 ZINC001238189848 779275271 /nfs/dbraw/zinc/27/52/71/779275271.db2.gz XTXGIJULFRYJKO-GFCCVEGCSA-N 0 1 264.756 2.680 20 30 CFEDMN N#Cc1cc(CN2CC[C@@H]3OCC[C@@H]3C2)ccc1Cl ZINC001238198547 779278861 /nfs/dbraw/zinc/27/88/61/779278861.db2.gz LLNFPTBRTMEQFC-DOMZBBRYSA-N 0 1 276.767 2.822 20 30 CFEDMN CCC[N@H+](CCC#N)Cc1ccc(F)cc1C(=O)[O-] ZINC001238235019 779286747 /nfs/dbraw/zinc/28/67/47/779286747.db2.gz GOFPMCSTYGVFNZ-UHFFFAOYSA-N 0 1 264.300 2.650 20 30 CFEDMN CCC[N@@H+](CCC#N)Cc1ccc(F)cc1C(=O)[O-] ZINC001238235019 779286749 /nfs/dbraw/zinc/28/67/49/779286749.db2.gz GOFPMCSTYGVFNZ-UHFFFAOYSA-N 0 1 264.300 2.650 20 30 CFEDMN N#CCc1cc(N[C@@H](c2ccccn2)C(F)(F)F)ccn1 ZINC001168488403 779301917 /nfs/dbraw/zinc/30/19/17/779301917.db2.gz YLGLQPXHTMLWSG-ZDUSSCGKSA-N 0 1 292.264 2.680 20 30 CFEDMN C#CC1CCN(Cc2cncc(OC(C)C)c2)CC1 ZINC001238471213 779326080 /nfs/dbraw/zinc/32/60/80/779326080.db2.gz LSUZTAIMRFCKJD-UHFFFAOYSA-N 0 1 258.365 2.714 20 30 CFEDMN CC#CCN1CC[C@@](C)(NC(=O)c2ccc(Cl)cc2)C1 ZINC001046789181 779372627 /nfs/dbraw/zinc/37/26/27/779372627.db2.gz JBCSLOOVLWPPGB-MRXNPFEDSA-N 0 1 290.794 2.558 20 30 CFEDMN CN1CCN(c2cc(-c3cccc(CC#N)c3)ccn2)CC1 ZINC001238820913 779398526 /nfs/dbraw/zinc/39/85/26/779398526.db2.gz IKDMGHOPHGCZGI-UHFFFAOYSA-N 0 1 292.386 2.566 20 30 CFEDMN COc1ccc2c(c1)nccc2Nc1c(C#N)ncn1C ZINC001203524784 779423122 /nfs/dbraw/zinc/42/31/22/779423122.db2.gz AHXHWMVBEWGJSU-UHFFFAOYSA-N 0 1 279.303 2.592 20 30 CFEDMN CN(C)c1nc(=O)cc(Nc2ccc(C3(C#N)CC3)cc2)[nH]1 ZINC001212249903 779522304 /nfs/dbraw/zinc/52/23/04/779522304.db2.gz SWAOEYBLIUFPBT-UHFFFAOYSA-N 0 1 295.346 2.547 20 30 CFEDMN CCCCCCCOC(=O)N1C[C@H]2CCC[C@@H](C1)N2 ZINC001239336726 779527450 /nfs/dbraw/zinc/52/74/50/779527450.db2.gz QNSKWNXSOAHFIR-OKILXGFUSA-N 0 1 268.401 2.920 20 30 CFEDMN C=C(C)CN1CC(CNC(=O)c2ccc3occc3c2)C1 ZINC001031689985 779528790 /nfs/dbraw/zinc/52/87/90/779528790.db2.gz QEYOCSBBBSZAQV-UHFFFAOYSA-N 0 1 284.359 2.671 20 30 CFEDMN C=C(C)CN1CC(CNC(=O)c2sc(C)cc2C)C1 ZINC001031700098 779536477 /nfs/dbraw/zinc/53/64/77/779536477.db2.gz JGSAYEXQECAXCD-UHFFFAOYSA-N 0 1 278.421 2.603 20 30 CFEDMN CC#CCN1CC(C)(C)CC[C@H]1CNC(=O)C1=CCCC1 ZINC001089628672 779547790 /nfs/dbraw/zinc/54/77/90/779547790.db2.gz LAKJDFPDODOAII-INIZCTEOSA-N 0 1 288.435 2.727 20 30 CFEDMN CC#CCN1CC(C)(C)CC[C@@H]1CNC(=O)C1=CCCC1 ZINC001089628674 779548230 /nfs/dbraw/zinc/54/82/30/779548230.db2.gz LAKJDFPDODOAII-MRXNPFEDSA-N 0 1 288.435 2.727 20 30 CFEDMN CCCCCCCCCNC(=S)N1CCN[C@H](C)C1 ZINC001239416339 779557320 /nfs/dbraw/zinc/55/73/20/779557320.db2.gz RVRCYINHHVFNEN-CQSZACIVSA-N 0 1 285.501 2.905 20 30 CFEDMN C#CCN1CC(C)(C)CC[C@@H]1CNC(=O)[C@H]1CCC1(C)C ZINC001089683843 779566203 /nfs/dbraw/zinc/56/62/03/779566203.db2.gz HTYYDYJXXDTWQJ-HUUCEWRRSA-N 0 1 290.451 2.663 20 30 CFEDMN C=C(C)CN1CC(CNC(=O)[C@@H]2CCC[C@H]2CCC)C1 ZINC001031795269 779610903 /nfs/dbraw/zinc/61/09/03/779610903.db2.gz QTVUDJRYABHXPQ-HZPDHXFCSA-N 0 1 278.440 2.827 20 30 CFEDMN C=C(C)CN1CC(CNC(=O)c2cc(Cl)cs2)C1 ZINC001032024910 779714602 /nfs/dbraw/zinc/71/46/02/779714602.db2.gz LTBMJYYYALASMM-UHFFFAOYSA-N 0 1 284.812 2.639 20 30 CFEDMN C[C@H]1CN(Cc2cc(Cl)cc(C#N)c2)CCC[C@H]1O ZINC001237745680 779715807 /nfs/dbraw/zinc/71/58/07/779715807.db2.gz HQOKVVXYUMKFSL-XHDPSFHLSA-N 0 1 278.783 2.804 20 30 CFEDMN O=C(CC1=CCCCC1)NCCNCC#Cc1ccccc1 ZINC001124810178 779722856 /nfs/dbraw/zinc/72/28/56/779722856.db2.gz JPFHRIGMRRKLRE-UHFFFAOYSA-N 0 1 296.414 2.634 20 30 CFEDMN C=CCN1CC(CNC(=O)c2ccc(C(F)F)cc2F)C1 ZINC001032072227 779729710 /nfs/dbraw/zinc/72/97/10/779729710.db2.gz HKQWBOWGMIIVBL-UHFFFAOYSA-N 0 1 298.308 2.611 20 30 CFEDMN C=C(C)CN1CC(CNC(=O)[C@@H]2CCCC[C@@H]2CC)C1 ZINC001032088350 779733208 /nfs/dbraw/zinc/73/32/08/779733208.db2.gz HPERYLAFOXOBOQ-JKSUJKDBSA-N 0 1 278.440 2.827 20 30 CFEDMN C=CCN1CC(CNC(=O)c2ccc(Cl)cc2Cl)C1 ZINC001032145680 779747208 /nfs/dbraw/zinc/74/72/08/779747208.db2.gz MDXVZRCKHVYKRT-UHFFFAOYSA-N 0 1 299.201 2.841 20 30 CFEDMN C=C(C)CN1C[C@@H]2C[C@H]1CN2C(=O)C=C1CCCCC1 ZINC001032304972 779827678 /nfs/dbraw/zinc/82/76/78/779827678.db2.gz GMDUKTLFLILDAU-HOTGVXAUSA-N 0 1 274.408 2.738 20 30 CFEDMN C=C(C)CN1C[C@@H]2C[C@H]1CN2C(=O)C1C(C)(C)C1(C)C ZINC001032338289 779866380 /nfs/dbraw/zinc/86/63/80/779866380.db2.gz XHOOKJVSHXMWBD-STQMWFEESA-N 0 1 276.424 2.530 20 30 CFEDMN C=CCCC(=O)NC[C@@]1(C)CN(CCCC(C)C)CCO1 ZINC001107802758 779902080 /nfs/dbraw/zinc/90/20/80/779902080.db2.gz YXRUFDAIZOETDF-KRWDZBQOSA-N 0 1 296.455 2.596 20 30 CFEDMN C=CCCC(=O)NC[C@@]1(C)CN(CCCCCC)CCO1 ZINC001107802368 779902310 /nfs/dbraw/zinc/90/23/10/779902310.db2.gz QBDIEZPBDWWEMS-KRWDZBQOSA-N 0 1 296.455 2.740 20 30 CFEDMN C=C(Cl)CNCCNC(=O)c1cccc(Cl)c1C ZINC001127876032 779909962 /nfs/dbraw/zinc/90/99/62/779909962.db2.gz QUYNUOGRJGFPHF-UHFFFAOYSA-N 0 1 287.190 2.720 20 30 CFEDMN C[C@H]1CCC[C@@H]1CC(=O)NCCNCC#Cc1ccccc1 ZINC001127929879 779944071 /nfs/dbraw/zinc/94/40/71/779944071.db2.gz XKVAKICTYSFOKO-FUHWJXTLSA-N 0 1 298.430 2.570 20 30 CFEDMN C=CCCN1C[C@@H]2C[C@H]1CN2C(=O)c1ccc2occc2c1 ZINC001032414919 779945643 /nfs/dbraw/zinc/94/56/43/779945643.db2.gz MKIHPXVDUATKAV-HOTGVXAUSA-N 0 1 296.370 2.908 20 30 CFEDMN CN(C)Cc1ccc(-c2ccc(C#N)c(F)c2)nc1 ZINC001240145896 779967415 /nfs/dbraw/zinc/96/74/15/779967415.db2.gz NAYBCQDCRRMOLA-UHFFFAOYSA-N 0 1 255.296 2.821 20 30 CFEDMN COc1cc(-c2nccc3[nH]cc(C#N)c32)ccn1 ZINC001240256790 780033696 /nfs/dbraw/zinc/03/36/96/780033696.db2.gz ZEHPKKNORQWOLY-UHFFFAOYSA-N 0 1 250.261 2.505 20 30 CFEDMN C=CCCCN1CCO[C@](C)(CNC(=O)CCC(=C)C)C1 ZINC001107976781 780051267 /nfs/dbraw/zinc/05/12/67/780051267.db2.gz WETBTUQPLPPDHC-QGZVFWFLSA-N 0 1 294.439 2.516 20 30 CFEDMN C=CCCN1C[C@@H]2C[C@H]1CN2C(=O)c1occc1C(C)C ZINC001032583990 780054148 /nfs/dbraw/zinc/05/41/48/780054148.db2.gz KFKOCPMVHAIISB-KBPBESRZSA-N 0 1 288.391 2.878 20 30 CFEDMN Cc1cc(C2=CCCN(Cc3ccccc3)C2)nc(C#N)n1 ZINC001240385828 780129395 /nfs/dbraw/zinc/12/93/95/780129395.db2.gz MKIRFYUDCKORKN-UHFFFAOYSA-N 0 1 290.370 2.946 20 30 CFEDMN C#CCCN1C[C@@H]2C[C@H]1CN2C(=O)C(CC)(CC)CC ZINC001032703377 780131049 /nfs/dbraw/zinc/13/10/49/780131049.db2.gz SCNLIHIIXPVQTG-GJZGRUSLSA-N 0 1 276.424 2.511 20 30 CFEDMN CC(C)CCn1cc(-c2cc3[nH]cnc3c(C#N)n2)cn1 ZINC001240417907 780151614 /nfs/dbraw/zinc/15/16/14/780151614.db2.gz JUQLTBLPPQGHDY-UHFFFAOYSA-N 0 1 280.335 2.739 20 30 CFEDMN C=C(C)CN1C[C@@H]2C[C@H]1CN2C(=O)[C@@H](C)c1ccccc1 ZINC001032735683 780159987 /nfs/dbraw/zinc/15/99/87/780159987.db2.gz CSMCPCCXHIGGOU-XIRDDKMYSA-N 0 1 284.403 2.651 20 30 CFEDMN Cc1cc2cc(-c3cc4[nH]cnc4c(C#N)n3)cnc2[nH]1 ZINC001240472705 780188713 /nfs/dbraw/zinc/18/87/13/780188713.db2.gz XYAQAHIVAHHGGW-UHFFFAOYSA-N 0 1 274.287 2.681 20 30 CFEDMN COc1ccc([C@@H]2C[C@H](N3CC[C@H](C#N)C3)CCO2)cc1 ZINC001168658609 780212847 /nfs/dbraw/zinc/21/28/47/780212847.db2.gz APLCODXYPFZHNB-UNEWFSDZSA-N 0 1 286.375 2.761 20 30 CFEDMN C=C(Cl)CNC[C@H]1CCCCN1C(=O)CCC ZINC001272923852 780233404 /nfs/dbraw/zinc/23/34/04/780233404.db2.gz QDNQZJLIAOXMTG-GFCCVEGCSA-N 0 1 258.793 2.510 20 30 CFEDMN C=C(Cl)CN[C@@H]1CN(C(=O)C2CCCCC2)C[C@@H]1C ZINC001054345754 780332374 /nfs/dbraw/zinc/33/23/74/780332374.db2.gz SGOKSJLHOFPAKL-SMDDNHRTSA-N 0 1 284.831 2.756 20 30 CFEDMN CCO[C@H](C)n1cc(-c2nccc3[nH]cc(C#N)c32)cn1 ZINC001240753857 780417091 /nfs/dbraw/zinc/41/70/91/780417091.db2.gz VJOCOBIXCUVVIW-SNVBAGLBSA-N 0 1 281.319 2.853 20 30 CFEDMN C=C(C)CCC(=O)NCCNCc1sccc1Cl ZINC001128405200 780427650 /nfs/dbraw/zinc/42/76/50/780427650.db2.gz TVEWFPAFBYQVDZ-UHFFFAOYSA-N 0 1 286.828 2.964 20 30 CFEDMN Cc1cnc(-c2ccc(N3CCN(C)CC3)cc2)cc1C#N ZINC001240851442 780477495 /nfs/dbraw/zinc/47/74/95/780477495.db2.gz GCANNQBLHHDWLY-UHFFFAOYSA-N 0 1 292.386 2.681 20 30 CFEDMN C=CCN1CC[C@@H](N(C)C(=O)C2CCCCCC2)C1 ZINC001032952391 780518001 /nfs/dbraw/zinc/51/80/01/780518001.db2.gz LKGBWAJBHFZBPX-OAHLLOKOSA-N 0 1 264.413 2.676 20 30 CFEDMN C=C(C)CN1CC[C@H](N(C)C(=O)c2oc(C)cc2C)C1 ZINC001032975429 780521308 /nfs/dbraw/zinc/52/13/08/780521308.db2.gz LPPGYSYVMFSSQP-AWEZNQCLSA-N 0 1 276.380 2.619 20 30 CFEDMN C=CCN1CC[C@@H](N(C)C(=O)C(F)=C2CCCC2)C1 ZINC001033005322 780527463 /nfs/dbraw/zinc/52/74/63/780527463.db2.gz QVHLVYQSURPXQS-CYBMUJFWSA-N 0 1 266.360 2.503 20 30 CFEDMN CC(C)[C@H](NCc1csc(C#N)c1)c1cnn(C)c1 ZINC000922890824 780585484 /nfs/dbraw/zinc/58/54/84/780585484.db2.gz POYHTDQLOOHLFH-AWEZNQCLSA-N 0 1 274.393 2.840 20 30 CFEDMN C=C(C)C[N@@H+]1CC[C@H](N(C)C(=O)[C@H](C)C2CCC2)C1 ZINC001033183612 780607798 /nfs/dbraw/zinc/60/77/98/780607798.db2.gz AAQOQALBQDSHSA-HIFRSBDPSA-N 0 1 264.413 2.531 20 30 CFEDMN C=CCN1CC[C@H](N(C)C(=O)c2ccc(Cl)cc2F)C1 ZINC001033247925 780632982 /nfs/dbraw/zinc/63/29/82/780632982.db2.gz KGTWJWDSQIGIGC-LBPRGKRZSA-N 0 1 296.773 2.811 20 30 CFEDMN C=CCN1CC[C@@H](N(C)C(=O)C2CCC3(CC3)CC2)C1 ZINC001033276133 780638187 /nfs/dbraw/zinc/63/81/87/780638187.db2.gz RQFRWRASIBRQCJ-OAHLLOKOSA-N 0 1 276.424 2.676 20 30 CFEDMN N#Cc1nc(-c2cc(F)c(F)cc2F)cc2[nH]cnc21 ZINC001241108253 780639890 /nfs/dbraw/zinc/63/98/90/780639890.db2.gz VMHMQWKSKRCVGH-UHFFFAOYSA-N 0 1 274.205 2.914 20 30 CFEDMN COC(=O)c1cc(-c2c(F)cc(O)cc2F)ccc1C#N ZINC001241121357 780649708 /nfs/dbraw/zinc/64/97/08/780649708.db2.gz HXDWAUAHHXQWKO-UHFFFAOYSA-N 0 1 289.237 2.996 20 30 CFEDMN COc1cc(OC)cc(-c2cc3[nH]cnc3c(C#N)n2)c1 ZINC001241126858 780653278 /nfs/dbraw/zinc/65/32/78/780653278.db2.gz BGFRNQRPLFAHHP-UHFFFAOYSA-N 0 1 280.287 2.514 20 30 CFEDMN C=C(C)C[N@@H+]1CC[C@@H](N(C)C(=O)C[C@H]2CC=CCC2)C1 ZINC001033329518 780653758 /nfs/dbraw/zinc/65/37/58/780653758.db2.gz QOQDQTKDNJWONY-JKSUJKDBSA-N 0 1 276.424 2.842 20 30 CFEDMN C=CCN1CC[C@@H](N(C)C(=O)c2cccc(F)c2Cl)C1 ZINC001033452041 780685174 /nfs/dbraw/zinc/68/51/74/780685174.db2.gz ZTYVQPSIXGBULV-LLVKDONJSA-N 0 1 296.773 2.811 20 30 CFEDMN C#CCN1CC[C@@H](N(C)C(=O)CC2CCCCCC2)C1 ZINC001033459021 780687316 /nfs/dbraw/zinc/68/73/16/780687316.db2.gz VWTLOZONLJWSDW-MRXNPFEDSA-N 0 1 276.424 2.513 20 30 CFEDMN C=CCN1CC[C@H](N(C)C(=O)c2cc(Cl)ccc2C)C1 ZINC001033508950 780696462 /nfs/dbraw/zinc/69/64/62/780696462.db2.gz CBWDYJBTCUMTCH-AWEZNQCLSA-N 0 1 292.810 2.981 20 30 CFEDMN CN(C)Cc1ccc(-c2ccnc(C#N)c2)cc1F ZINC001241199946 780701215 /nfs/dbraw/zinc/70/12/15/780701215.db2.gz IQPCTEROGQITEX-UHFFFAOYSA-N 0 1 255.296 2.821 20 30 CFEDMN C=CCN1CC[C@@H](N(C)C(=O)c2cccc(C)c2Cl)C1 ZINC001033515180 780701473 /nfs/dbraw/zinc/70/14/73/780701473.db2.gz FQVCZEBMFHRXGL-CYBMUJFWSA-N 0 1 292.810 2.981 20 30 CFEDMN C#CCN1CC[C@@H](N(C)C(=O)c2cccc(C3CCC3)c2)C1 ZINC001033582509 780716133 /nfs/dbraw/zinc/71/61/33/780716133.db2.gz NMTGPQIMNLGGHZ-GOSISDBHSA-N 0 1 296.414 2.734 20 30 CFEDMN C=CCN1CC[C@@H](N(C)C(=O)c2ccoc2CCC)C1 ZINC001033582748 780717000 /nfs/dbraw/zinc/71/70/00/780717000.db2.gz QJZDJRPQTMRNOE-CYBMUJFWSA-N 0 1 276.380 2.564 20 30 CFEDMN C=C(C)CN1CC[C@H](N(C)C(=O)c2oc(CC)cc2C)C1 ZINC001033588844 780720088 /nfs/dbraw/zinc/72/00/88/780720088.db2.gz LPLWZHMYNZTYLM-AWEZNQCLSA-N 0 1 290.407 2.873 20 30 CFEDMN C=CCN1CC[C@H](N(C)C(=O)c2ccccc2Cl)C1 ZINC001033603075 780726303 /nfs/dbraw/zinc/72/63/03/780726303.db2.gz HBMCAAKGFUAKQM-LBPRGKRZSA-N 0 1 278.783 2.672 20 30 CFEDMN C=CCN1CC[C@@H](N(C)C(=O)C2CCC(C3CC3)CC2)C1 ZINC001033622889 780731951 /nfs/dbraw/zinc/73/19/51/780731951.db2.gz BDARSVGCNWLQSU-OFLPRAFFSA-N 0 1 290.451 2.922 20 30 CFEDMN C=CCN1CC[C@H](N(C)C(=O)c2ccc(F)cc2Cl)C1 ZINC001033634143 780736716 /nfs/dbraw/zinc/73/67/16/780736716.db2.gz IONQUPIVEWUGEI-LBPRGKRZSA-N 0 1 296.773 2.811 20 30 CFEDMN C=CCN1CC[C@H](N(C)C(=O)[C@]2(C)CC=C(C)CC2)C1 ZINC001033677920 780747384 /nfs/dbraw/zinc/74/73/84/780747384.db2.gz FGATXVYLYFUUAF-DOTOQJQBSA-N 0 1 276.424 2.842 20 30 CFEDMN CC#CCN1CC[C@@H](N(C)C(=O)C2CCC(C)(C)CC2)C1 ZINC001033694139 780750728 /nfs/dbraw/zinc/75/07/28/780750728.db2.gz IZLAENJAUXIHOO-MRXNPFEDSA-N 0 1 290.451 2.759 20 30 CFEDMN CC#CCN1CC[C@@H](N(CC)C(=O)C2CCCCC2)C1 ZINC001033738811 780770499 /nfs/dbraw/zinc/77/04/99/780770499.db2.gz YJYAAUMDVXDSMQ-MRXNPFEDSA-N 0 1 276.424 2.513 20 30 CFEDMN C=C(C)CN1CC[C@@H](N(CC)C(=O)c2cnc(C)s2)C1 ZINC001033769852 780781259 /nfs/dbraw/zinc/78/12/59/780781259.db2.gz NYRNWBUASVXMEJ-CYBMUJFWSA-N 0 1 293.436 2.564 20 30 CFEDMN Cc1ccc(-c2cc3[nH]cnc3c(C#N)n2)c(F)c1 ZINC001241351211 780802244 /nfs/dbraw/zinc/80/22/44/780802244.db2.gz CPWBHRBQIMTHGY-UHFFFAOYSA-N 0 1 252.252 2.944 20 30 CFEDMN C#CCN1CC[C@@H](N(CC)C(=O)C2CCC3(CC3)CC2)C1 ZINC001033899031 780821280 /nfs/dbraw/zinc/82/12/80/780821280.db2.gz GGXVOCKYCLDAET-MRXNPFEDSA-N 0 1 288.435 2.513 20 30 CFEDMN CC#CCN1CC[C@@H](N(CC)C(=O)[C@H]2CCCC2(C)C)C1 ZINC001033926985 780823790 /nfs/dbraw/zinc/82/37/90/780823790.db2.gz HQXSJPHNLMTOLX-HZPDHXFCSA-N 0 1 290.451 2.759 20 30 CFEDMN C=CCN1CC[C@@H](N(CC)C(=O)C2CC3(CCC3)C2)C1 ZINC001033927872 780826482 /nfs/dbraw/zinc/82/64/82/780826482.db2.gz UKMBUZRLBNRDAU-OAHLLOKOSA-N 0 1 276.424 2.676 20 30 CFEDMN C=CCN1CC[C@H](N(CC)C(=O)[C@@H]2C[C@H]2CCC)C1 ZINC001033953841 780835868 /nfs/dbraw/zinc/83/58/68/780835868.db2.gz XPLGUHLTOUWBIM-QLFBSQMISA-N 0 1 264.413 2.531 20 30 CFEDMN C=C(C)C[N@@H+]1CC[C@@H](N(CC)C(=O)[C@@H]2C[C@H]2CC)C1 ZINC001033959515 780838513 /nfs/dbraw/zinc/83/85/13/780838513.db2.gz DQWJIOXLNRXQMY-RBSFLKMASA-N 0 1 264.413 2.531 20 30 CFEDMN C#CC[N@@H+]1CC[C@@H](N(CC)C(=O)c2ccc(CCC)cc2)C1 ZINC001033940620 780838940 /nfs/dbraw/zinc/83/89/40/780838940.db2.gz CHSMGBDWDINDGV-GOSISDBHSA-N 0 1 298.430 2.809 20 30 CFEDMN C#CCN1CC[C@@H](N(CC)C(=O)c2ccc(CCC)cc2)C1 ZINC001033940620 780838947 /nfs/dbraw/zinc/83/89/47/780838947.db2.gz CHSMGBDWDINDGV-GOSISDBHSA-N 0 1 298.430 2.809 20 30 CFEDMN C=CCN1CC[C@@H](N(CC)C(=O)[C@H]2CCC(C)(C)C2)C1 ZINC001033945025 780841288 /nfs/dbraw/zinc/84/12/88/780841288.db2.gz WFYGLZGRFNBFDO-LSDHHAIUSA-N 0 1 278.440 2.922 20 30 CFEDMN C=CCN1CC[C@H](N(CC)C(=O)[C@H]2C[C@@H]2c2ccccc2)C1 ZINC001033980971 780848849 /nfs/dbraw/zinc/84/88/49/780848849.db2.gz BDGUUROTQGSSAP-KSZLIROESA-N 0 1 298.430 2.899 20 30 CFEDMN C=CCN1CCCC[C@@H](NC(=O)c2cc(C)oc2C)C1 ZINC001034103042 780894276 /nfs/dbraw/zinc/89/42/76/780894276.db2.gz WLBRSUGECRUEKH-CQSZACIVSA-N 0 1 276.380 2.667 20 30 CFEDMN C#CCOc1ccccc1CN[C@H](C#C)C(C)(C)C ZINC000702274481 780906456 /nfs/dbraw/zinc/90/64/56/780906456.db2.gz FQKUGYKMZMIDOL-MRXNPFEDSA-N 0 1 255.361 2.836 20 30 CFEDMN C#C[C@H](NCc1ccc(OC)cc1OC)C(C)(C)C ZINC000702281900 780909597 /nfs/dbraw/zinc/90/95/97/780909597.db2.gz LKRYIXGBYVNZGZ-HNNXBMFYSA-N 0 1 261.365 2.841 20 30 CFEDMN C=CCN1CCCC[C@H](NC(=O)c2c(C)coc2C)C1 ZINC001034193964 780921752 /nfs/dbraw/zinc/92/17/52/780921752.db2.gz KIPNWQJYFVNUFF-AWEZNQCLSA-N 0 1 276.380 2.667 20 30 CFEDMN CC#CCN1CCCC[C@@H](NC(=O)[C@@]2(C)CC=CCC2)C1 ZINC001034226423 780925695 /nfs/dbraw/zinc/92/56/95/780925695.db2.gz QWFPLLOPJOBHRJ-AEFFLSMTSA-N 0 1 288.435 2.727 20 30 CFEDMN C#CCN1CCCC[C@@H](NC(=O)c2ccc3occc3c2)C1 ZINC001034226314 780925929 /nfs/dbraw/zinc/92/59/29/780925929.db2.gz QERPOQXSMOASKW-MRXNPFEDSA-N 0 1 296.370 2.650 20 30 CFEDMN N#Cc1ccnnc1C1=CCN(Cc2ccccc2)CC1 ZINC001241501384 780945531 /nfs/dbraw/zinc/94/55/31/780945531.db2.gz CNWWKECBYMDOQR-UHFFFAOYSA-N 0 1 276.343 2.638 20 30 CFEDMN N#Cc1cncnc1C1=CCN(Cc2ccccc2)CC1 ZINC001241502079 780947183 /nfs/dbraw/zinc/94/71/83/780947183.db2.gz OCVVVAXIFUVLTI-UHFFFAOYSA-N 0 1 276.343 2.638 20 30 CFEDMN CC#CCN1CCCC[C@@H](NC(=O)C2(C3CC3)CCC2)C1 ZINC001034331604 780947215 /nfs/dbraw/zinc/94/72/15/780947215.db2.gz RPIVRSBWFZOZHA-MRXNPFEDSA-N 0 1 288.435 2.561 20 30 CFEDMN C=C1CCC(C(=O)N[C@H]2CCCCN(CC#CC)C2)CC1 ZINC001034382260 780961358 /nfs/dbraw/zinc/96/13/58/780961358.db2.gz QGKDAMQKNVFGTP-KRWDZBQOSA-N 0 1 288.435 2.727 20 30 CFEDMN C=CC[N@H+]1CCCC[C@H](NC(=O)c2c[nH]cc2C2CC2)C1 ZINC001034465165 780978051 /nfs/dbraw/zinc/97/80/51/780978051.db2.gz LZXZPODACQBJDY-AWEZNQCLSA-N 0 1 287.407 2.662 20 30 CFEDMN C=CCN1CCCC[C@@H](NC(=O)c2c(F)cccc2F)C1 ZINC001034499722 780982172 /nfs/dbraw/zinc/98/21/72/780982172.db2.gz GKRDCTSKMNIMJM-GFCCVEGCSA-N 0 1 294.345 2.735 20 30 CFEDMN CC#CCN1CCCC[C@@H](NC(=O)c2ccc(CC)cc2)C1 ZINC001034513541 780989505 /nfs/dbraw/zinc/98/95/05/780989505.db2.gz BELHWJLUTQQCPD-GOSISDBHSA-N 0 1 298.430 2.857 20 30 CFEDMN C#CCN1CCCC[C@H](NC(=O)C(C)(C)c2ccccc2)C1 ZINC001034523797 780991763 /nfs/dbraw/zinc/99/17/63/780991763.db2.gz OMQUGFRHRUQUTB-KRWDZBQOSA-N 0 1 298.430 2.568 20 30 CFEDMN C#CCN1CCCC[C@H](NC(=O)[C@@]2(C)CC=C(C)CC2)C1 ZINC001034535173 780994218 /nfs/dbraw/zinc/99/42/18/780994218.db2.gz CGYJHQALJRUOFC-WMZOPIPTSA-N 0 1 288.435 2.727 20 30 CFEDMN C#CCN1CCCC[C@@H](NC(=O)c2ccc(C)c(C)c2)C1 ZINC001034520868 780994521 /nfs/dbraw/zinc/99/45/21/780994521.db2.gz ZMKYXUCKFVQFIS-QGZVFWFLSA-N 0 1 284.403 2.521 20 30 CFEDMN COc1cc(C#N)cnc1-c1ccc2c(C)[nH]nc2c1 ZINC001241636797 781036185 /nfs/dbraw/zinc/03/61/85/781036185.db2.gz NPCOEPCUHNYJBO-UHFFFAOYSA-N 0 1 264.288 2.814 20 30 CFEDMN CCc1nc(C#N)cc(-c2ccc3n[nH]c(C)c3c2)n1 ZINC001241669703 781063471 /nfs/dbraw/zinc/06/34/71/781063471.db2.gz XNFLNNAHWOYSAP-UHFFFAOYSA-N 0 1 263.304 2.762 20 30 CFEDMN COc1cc(F)c(-c2cc3nc[nH]c3c(C#N)n2)c(F)c1 ZINC001241690125 781074271 /nfs/dbraw/zinc/07/42/71/781074271.db2.gz NCQGIGISMKEYPS-UHFFFAOYSA-N 0 1 286.241 2.783 20 30 CFEDMN COC(=O)c1ccc(-c2ccc3nc[nH]c3c2)cc1C#N ZINC001241691660 781075281 /nfs/dbraw/zinc/07/52/81/781075281.db2.gz PKAXIOBOJBQRTH-UHFFFAOYSA-N 0 1 277.283 2.888 20 30 CFEDMN N#Cc1cc2c(nc1-c1ccc3[nH]cnc3c1)CCC2 ZINC001241692528 781076033 /nfs/dbraw/zinc/07/60/33/781076033.db2.gz MLICWZQSZNLSQJ-UHFFFAOYSA-N 0 1 260.300 2.985 20 30 CFEDMN N#Cc1cc(-c2ccc3[nH]cnc3c2)nc(C2CC2)n1 ZINC001241691744 781076664 /nfs/dbraw/zinc/07/66/64/781076664.db2.gz UFNIOJLTPZKACQ-UHFFFAOYSA-N 0 1 261.288 2.769 20 30 CFEDMN C/C=C(/C)C(=O)N1CCC[C@@H]1CNCc1ccccc1C#N ZINC001034899532 781088798 /nfs/dbraw/zinc/08/87/98/781088798.db2.gz PXFVKAGGGIJVME-MFWALYKBSA-N 0 1 297.402 2.605 20 30 CFEDMN C=CCN1CC2(C1)CCN(C(=O)[C@H]1[C@@H]3CCCC[C@@H]31)CC2 ZINC001035677392 781156118 /nfs/dbraw/zinc/15/61/18/781156118.db2.gz GLVKXLBMSUSYPO-ZSHCYNCHSA-N 0 1 288.435 2.533 20 30 CFEDMN C=CCN1CC2(C1)CCN(C(=O)C1C(C)(C)C1(C)C)CC2 ZINC001035684988 781157605 /nfs/dbraw/zinc/15/76/05/781157605.db2.gz XPAFBCZYEFKMDK-UHFFFAOYSA-N 0 1 290.451 2.779 20 30 CFEDMN C=CCN1CC2(C1)CCN(C(=O)c1c(C)coc1C)CC2 ZINC001035697217 781159252 /nfs/dbraw/zinc/15/92/52/781159252.db2.gz SHUMITBJLVHCOB-UHFFFAOYSA-N 0 1 288.391 2.620 20 30 CFEDMN C=CCN1CC2(C1)CCN(C(=O)C(C)=C1CCC1)CC2 ZINC001035703839 781160058 /nfs/dbraw/zinc/16/00/58/781160058.db2.gz XEOMHSTUURLEGA-UHFFFAOYSA-N 0 1 274.408 2.597 20 30 CFEDMN C=CCN1CC2(C1)CCN(C(=O)[C@@]1(C)CCC[C@H]1C)CC2 ZINC001035786599 781168923 /nfs/dbraw/zinc/16/89/23/781168923.db2.gz AOZSMYLGBVOXQZ-WBVHZDCISA-N 0 1 290.451 2.923 20 30 CFEDMN C=CCN1CC2(C1)CCN(C(=O)[C@]1(C)CCC[C@H]1C)CC2 ZINC001035786596 781168955 /nfs/dbraw/zinc/16/89/55/781168955.db2.gz AOZSMYLGBVOXQZ-NVXWUHKLSA-N 0 1 290.451 2.923 20 30 CFEDMN N#CCOc1ccccc1-c1ccc2[nH]nnc2c1 ZINC001241940988 781194036 /nfs/dbraw/zinc/19/40/36/781194036.db2.gz FBFLOUMRYDFYIZ-UHFFFAOYSA-N 0 1 250.261 2.527 20 30 CFEDMN N#CCOc1ccccc1-c1ccc2nn[nH]c2c1 ZINC001241940988 781194039 /nfs/dbraw/zinc/19/40/39/781194039.db2.gz FBFLOUMRYDFYIZ-UHFFFAOYSA-N 0 1 250.261 2.527 20 30 CFEDMN N#CCOc1cc(F)ccc1-c1ccc2[nH]nnc2c1 ZINC001241942440 781197598 /nfs/dbraw/zinc/19/75/98/781197598.db2.gz SSFQCYMFUMOOIB-UHFFFAOYSA-N 0 1 268.251 2.666 20 30 CFEDMN N#CCOc1cc(F)ccc1-c1ccc2nn[nH]c2c1 ZINC001241942440 781197602 /nfs/dbraw/zinc/19/76/02/781197602.db2.gz SSFQCYMFUMOOIB-UHFFFAOYSA-N 0 1 268.251 2.666 20 30 CFEDMN N#Cc1cnnc(-c2cc(C(F)(F)F)ccc2O)c1 ZINC001242134247 781295312 /nfs/dbraw/zinc/29/53/12/781295312.db2.gz VEXNQZYYABAMMJ-UHFFFAOYSA-N 0 1 265.194 2.740 20 30 CFEDMN N#Cc1nccnc1-c1ccc(O)c(C(F)(F)F)c1 ZINC001242148424 781300948 /nfs/dbraw/zinc/30/09/48/781300948.db2.gz YAHLJFFMRRJPRF-UHFFFAOYSA-N 0 1 265.194 2.740 20 30 CFEDMN C=C(Cl)CN1CC[C@@H]2CN(C(=O)C3CCCC3)CC[C@H]21 ZINC001036620953 781303073 /nfs/dbraw/zinc/30/30/73/781303073.db2.gz MUFGTGALROQWIB-HUUCEWRRSA-N 0 1 296.842 2.852 20 30 CFEDMN COc1nc(-c2ccc(O)c(C(F)(F)F)c2)ncc1C#N ZINC001242151213 781303315 /nfs/dbraw/zinc/30/33/15/781303315.db2.gz HRZNMZOMIPDFNT-UHFFFAOYSA-N 0 1 295.220 2.748 20 30 CFEDMN N#Cc1nc(-c2cnccc2C(F)(F)F)cc2[nH]cnc21 ZINC001242276783 781360765 /nfs/dbraw/zinc/36/07/65/781360765.db2.gz ZILAEQNYQDCWIT-UHFFFAOYSA-N 0 1 289.220 2.910 20 30 CFEDMN CCOC(=O)c1cc2cc(-c3cccnc3C#N)cnc2[nH]1 ZINC001242312696 781390275 /nfs/dbraw/zinc/39/02/75/781390275.db2.gz VYOMILZQAUTHMB-UHFFFAOYSA-N 0 1 292.298 2.673 20 30 CFEDMN C=C[C@](C)(CC)C(=O)NC[C@]1(C)CN(CCCC)CCO1 ZINC001108189784 781559679 /nfs/dbraw/zinc/55/96/79/781559679.db2.gz KXMQMJQYHJILIZ-IAGOWNOFSA-N 0 1 296.455 2.596 20 30 CFEDMN C[C@@H](O)c1cccc(-c2cc3[nH]cnc3c(C#N)n2)c1 ZINC001242546085 781585395 /nfs/dbraw/zinc/58/53/95/781585395.db2.gz LSBZOFGNNRBHDR-SECBINFHSA-N 0 1 264.288 2.550 20 30 CFEDMN CCCNc1cc(C)nc(-c2ccc(O)c(C#N)c2)n1 ZINC001242561998 781599974 /nfs/dbraw/zinc/59/99/74/781599974.db2.gz FTKPCXDUFUGVRE-UHFFFAOYSA-N 0 1 268.320 2.851 20 30 CFEDMN CCCOc1ccnc(-c2ccc(O)c(C#N)c2)n1 ZINC001242562647 781601364 /nfs/dbraw/zinc/60/13/64/781601364.db2.gz FCJIETSYHISZLU-UHFFFAOYSA-N 0 1 255.277 2.510 20 30 CFEDMN C=C(C)CN1C[C@@H](C)[C@H](NC(=O)c2cc(C)c(C)o2)C1 ZINC001079575330 781606104 /nfs/dbraw/zinc/60/61/04/781606104.db2.gz NERXKBZSNZJSFG-TZMCWYRMSA-N 0 1 276.380 2.523 20 30 CFEDMN COc1cc(-c2ccc(O)c(C#N)c2)cc(F)c1C#N ZINC001242566341 781606589 /nfs/dbraw/zinc/60/65/89/781606589.db2.gz UQXVNFDMPSKZLA-UHFFFAOYSA-N 0 1 268.247 2.950 20 30 CFEDMN N#Cc1cc(-c2ccccc2Cn2cc[nH+]c2N)ccc1[O-] ZINC001242566570 781606982 /nfs/dbraw/zinc/60/69/82/781606982.db2.gz GLRNVXBZSVAOKN-UHFFFAOYSA-N 0 1 290.326 2.758 20 30 CFEDMN C=CCN1C[C@@H](C)[C@H](NC(=O)c2ccc(CC)s2)C1 ZINC001080063982 781633595 /nfs/dbraw/zinc/63/35/95/781633595.db2.gz AZZOSFZXRQIDCY-DGCLKSJQSA-N 0 1 278.421 2.547 20 30 CFEDMN CC#CCN1C[C@@H](C)[C@H](NC(=O)CC2CCCCCC2)C1 ZINC001080520822 781666288 /nfs/dbraw/zinc/66/62/88/781666288.db2.gz YHLVUNYLNRKNKE-NVXWUHKLSA-N 0 1 290.451 2.807 20 30 CFEDMN C=CCN1C[C@@H](C)[C@H](NC(=O)c2cc(CC)c(CC)o2)C1 ZINC001080787646 781678588 /nfs/dbraw/zinc/67/85/88/781678588.db2.gz LXUSVKUAGLACRK-TZMCWYRMSA-N 0 1 290.407 2.641 20 30 CFEDMN C=C(C)CN1C[C@@H](C)[C@H](NC(=O)c2ccc(C(F)F)o2)C1 ZINC001080859356 781680164 /nfs/dbraw/zinc/68/01/64/781680164.db2.gz BRFJEKKVQHDDOE-GHMZBOCLSA-N 0 1 298.333 2.843 20 30 CFEDMN C=CCN1C[C@@H](C)[C@H](NC(=O)c2c(C)csc2Cl)C1 ZINC001080854892 781680839 /nfs/dbraw/zinc/68/08/39/781680839.db2.gz LZOVCUQFTKZYQB-MWLCHTKSSA-N 0 1 298.839 2.946 20 30 CFEDMN C=C(C)CN1C[C@@H](C)[C@H](NC(=O)c2ccc(F)s2)C1 ZINC001081030967 781693306 /nfs/dbraw/zinc/69/33/06/781693306.db2.gz IYQQHCZOFYFECB-GHMZBOCLSA-N 0 1 282.384 2.513 20 30 CFEDMN CC#CCN1C[C@@H](C)[C@H](NC(=O)[C@H]2CCCCC2(C)C)C1 ZINC001081020123 781695990 /nfs/dbraw/zinc/69/59/90/781695990.db2.gz SGWQERZGSQWESJ-BZUAXINKSA-N 0 1 290.451 2.663 20 30 CFEDMN CC#CCN1CC(C)(C)CC[C@@H]1CNC(=O)CC(C)C ZINC001098872862 781724136 /nfs/dbraw/zinc/72/41/36/781724136.db2.gz GUUUYKQEMPJUCC-OAHLLOKOSA-N 0 1 278.440 2.663 20 30 CFEDMN C[C@@H]1CC(=O)C=C(c2cncc([C@H]3CN4CCC3CC4)n2)C1 ZINC001242740897 781733810 /nfs/dbraw/zinc/73/38/10/781733810.db2.gz UKVHQUCDXMDTPB-LRDDRELGSA-N 0 1 297.402 2.668 20 30 CFEDMN C=C(Cl)CN[C@@H]1CN(C(=O)[C@]23C[C@H]2CCCC3)C[C@H]1C ZINC001082727643 781740357 /nfs/dbraw/zinc/74/03/57/781740357.db2.gz IOHDFFIYWRRYOM-XKVFNRALSA-N 0 1 296.842 2.756 20 30 CFEDMN CCc1nc(C#N)cc(-c2cccc(O)c2Cl)n1 ZINC001242799488 781765352 /nfs/dbraw/zinc/76/53/52/781765352.db2.gz NRPVDRIPRFLDER-UHFFFAOYSA-N 0 1 259.696 2.937 20 30 CFEDMN C=CCN1CC[C@@H]2CN(C(=O)[C@@H]3CCCC(F)(F)C3)[C@@H]2C1 ZINC001084655209 781817538 /nfs/dbraw/zinc/81/75/38/781817538.db2.gz QNDLCMILKGTYCJ-MGPQQGTHSA-N 0 1 298.377 2.531 20 30 CFEDMN C#CCN1CC(C)(C)CC[C@@H]1CNC(=O)C(CC)CC ZINC001098921222 781843899 /nfs/dbraw/zinc/84/38/99/781843899.db2.gz GVILEAPOHCHYHZ-OAHLLOKOSA-N 0 1 278.440 2.663 20 30 CFEDMN C=CCOCC[N@@H+]1CC[C@@H]1CN(C)C(=O)C[C@@H](C)CCC ZINC001231139486 781911209 /nfs/dbraw/zinc/91/12/09/781911209.db2.gz OZWAJQXTBTVISF-JKSUJKDBSA-N 0 1 296.455 2.548 20 30 CFEDMN C=CCOCCN1CC[C@@H]1CN(C)C(=O)C[C@@H](C)CCC ZINC001231139486 781911213 /nfs/dbraw/zinc/91/12/13/781911213.db2.gz OZWAJQXTBTVISF-JKSUJKDBSA-N 0 1 296.455 2.548 20 30 CFEDMN N#Cc1ccc(CNC[C@H]2CCC3(CCCC3)O2)o1 ZINC000594524314 349441852 /nfs/dbraw/zinc/44/18/52/349441852.db2.gz YFXASKNXJHZEIJ-CQSZACIVSA-N 0 1 260.337 2.733 20 30 CFEDMN CCC(C)(C)N1CCN(c2ncc(C#N)cc2Cl)CC1 ZINC000594595147 349455289 /nfs/dbraw/zinc/45/52/89/349455289.db2.gz UNCNBJGKEIXKDJ-UHFFFAOYSA-N 0 1 292.814 2.917 20 30 CFEDMN C=C1CCN(C(=O)c2ccc(CN(CC)CC)o2)CC1 ZINC000594848073 349490945 /nfs/dbraw/zinc/49/09/45/349490945.db2.gz MGIVMIAGEFNUJZ-UHFFFAOYSA-N 0 1 276.380 2.914 20 30 CFEDMN N#Cc1csc(CNCc2cccnc2N2CCCC2)c1 ZINC000594957050 349528954 /nfs/dbraw/zinc/52/89/54/349528954.db2.gz MCHHKJACYUIJKI-UHFFFAOYSA-N 0 1 298.415 2.905 20 30 CFEDMN N#Cc1cccc(C2(NCc3ccccn3)CCOCC2)c1 ZINC000594983238 349538932 /nfs/dbraw/zinc/53/89/32/349538932.db2.gz IZRRQICJECEMSS-UHFFFAOYSA-N 0 1 293.370 2.749 20 30 CFEDMN Cc1cc(CNCc2c(C3CC3)cnn2C)ccc1C#N ZINC000594986256 349540176 /nfs/dbraw/zinc/54/01/76/349540176.db2.gz UVVYZUCSNKFTFP-UHFFFAOYSA-N 0 1 280.375 2.767 20 30 CFEDMN C=CCCCN(C)[C@H]1CCN(c2sccc2C#N)C1=O ZINC000083224980 178360483 /nfs/dbraw/zinc/36/04/83/178360483.db2.gz PCALFRSLLCSVPG-ZDUSSCGKSA-N 0 1 289.404 2.623 20 30 CFEDMN C#CCN(Cc1ccc(F)cc1)C(=O)c1cc(C2CC2)[nH]n1 ZINC000068269960 346844400 /nfs/dbraw/zinc/84/44/00/346844400.db2.gz MEJDOZUBQMYFOO-UHFFFAOYSA-N 0 1 297.333 2.702 20 30 CFEDMN CCN(C[C@@H](C)C#N)C[C@H]1CCCN(C(=O)C(C)(C)C)C1 ZINC000595297702 349596158 /nfs/dbraw/zinc/59/61/58/349596158.db2.gz JLSVQZIOSIVEEB-LSDHHAIUSA-N 0 1 293.455 2.753 20 30 CFEDMN CCC(CC)CN(CCC#N)CCN1C[C@@H](C)O[C@@H](C)C1 ZINC000595343780 349606098 /nfs/dbraw/zinc/60/60/98/349606098.db2.gz DVPLUQWGTUHASQ-IYBDPMFKSA-N 0 1 295.471 2.747 20 30 CFEDMN Cc1n[nH]c([C@@H]2CCCN([C@@H](C#N)c3ccccc3)C2)n1 ZINC000595346223 349607123 /nfs/dbraw/zinc/60/71/23/349607123.db2.gz HITRCZLMTXESCG-CABCVRRESA-N 0 1 281.363 2.557 20 30 CFEDMN Cc1nnc([C@@H]2CCCN([C@@H](C#N)c3ccccc3)C2)[nH]1 ZINC000595346223 349607125 /nfs/dbraw/zinc/60/71/25/349607125.db2.gz HITRCZLMTXESCG-CABCVRRESA-N 0 1 281.363 2.557 20 30 CFEDMN CC(C)c1cccc(CN2CCN(CCC#N)CC2)c1 ZINC000595390994 349615160 /nfs/dbraw/zinc/61/51/60/349615160.db2.gz AXEGLMFVUZFWQN-UHFFFAOYSA-N 0 1 271.408 2.841 20 30 CFEDMN CC[C@]1(C)CCCN(C([O-])=[NH+][C@@H]2CCn3ccnc3C2)C1 ZINC000330278865 529391829 /nfs/dbraw/zinc/39/18/29/529391829.db2.gz QERRNVMEKBFSOI-CZUORRHYSA-N 0 1 290.411 2.624 20 30 CFEDMN C[C@H]1CN(CCc2ccc(C#N)cc2)C[C@@H](C2CC2)O1 ZINC000595470818 349636910 /nfs/dbraw/zinc/63/69/10/349636910.db2.gz XBBJQCUPHYZVIJ-GUYCJALGSA-N 0 1 270.376 2.600 20 30 CFEDMN N#CCCCN1CCCN(c2cccc(F)c2F)CC1 ZINC000595505608 349644312 /nfs/dbraw/zinc/64/43/12/349644312.db2.gz WREPIVQIMVMZEQ-UHFFFAOYSA-N 0 1 279.334 2.781 20 30 CFEDMN CC[C@H](CC#N)NCCc1ccc2c(c1)OC(F)(F)O2 ZINC000595528793 349651916 /nfs/dbraw/zinc/65/19/16/349651916.db2.gz FMWKEUZBGKQILB-LLVKDONJSA-N 0 1 282.290 2.832 20 30 CFEDMN CN(C)[C@H](CNC(=O)C1(C#N)CCCC1)c1cccs1 ZINC000069181175 346885010 /nfs/dbraw/zinc/88/50/10/346885010.db2.gz HTKBPVVVEMJIGN-GFCCVEGCSA-N 0 1 291.420 2.551 20 30 CFEDMN CCN(CCCCC#N)[C@@H](C)C(=O)OC(C)(C)C ZINC000595597304 349669952 /nfs/dbraw/zinc/66/99/52/349669952.db2.gz XJTQNOFMNKMJAS-LBPRGKRZSA-N 0 1 254.374 2.732 20 30 CFEDMN C[C@H](C(=O)N1[C@H](C)CCC[C@@H]1C)N1CCC[C@@H](CC#N)C1 ZINC000595609796 349675134 /nfs/dbraw/zinc/67/51/34/349675134.db2.gz PBPVVOIPJBIWOU-QXSJWSMHSA-N 0 1 291.439 2.790 20 30 CFEDMN COc1cc(C#N)ccc1OCCN1CCC[C@H](CC#N)C1 ZINC000595613508 349676393 /nfs/dbraw/zinc/67/63/93/349676393.db2.gz DJTXMEFDBOIWSL-CQSZACIVSA-N 0 1 299.374 2.571 20 30 CFEDMN Cc1cc(C[N@@H+]2C[C@]3(C)COC[C@]3(C)C2)ccc1C#N ZINC000595690941 349702367 /nfs/dbraw/zinc/70/23/67/349702367.db2.gz WOCSRTJZJKKSNE-CALCHBBNSA-N 0 1 270.376 2.725 20 30 CFEDMN COc1ccc(C[N@H+]2CCC[C@@H](C)[C@H]2CCO)cc1C#N ZINC000595698648 349707857 /nfs/dbraw/zinc/70/78/57/349707857.db2.gz NLGQNFVOCPVGHS-CZUORRHYSA-N 0 1 288.391 2.550 20 30 CFEDMN C[C@@H]1CN(Cc2ccc(C#N)cc2Cl)C[C@H](C)[C@H]1O ZINC000595734378 349719861 /nfs/dbraw/zinc/71/98/61/349719861.db2.gz YSMGULKBEHGZNI-HBYGRHMLSA-N 0 1 278.783 2.660 20 30 CFEDMN N#Cc1ccc(CN2CCC[C@@](O)(C3CC3)C2)c(Cl)c1 ZINC000595749813 349722675 /nfs/dbraw/zinc/72/26/75/349722675.db2.gz LBSWTOLMBVVPGE-INIZCTEOSA-N 0 1 290.794 2.949 20 30 CFEDMN N#Cc1cc(CN2CC[C@@H](Oc3ccccc3)C2)ccn1 ZINC000595831025 349746015 /nfs/dbraw/zinc/74/60/15/349746015.db2.gz KMFYVGCSPNNPQP-QGZVFWFLSA-N 0 1 279.343 2.607 20 30 CFEDMN CC[C@H](NCc1c(C#N)cccc1[N+](=O)[O-])C1CC1 ZINC000595764570 349727566 /nfs/dbraw/zinc/72/75/66/349727566.db2.gz BRWXZXZKQMJRCU-ZDUSSCGKSA-N 0 1 259.309 2.745 20 30 CFEDMN CN(Cc1ccc(C#N)s1)CC1=CCSC1 ZINC000595890197 349762736 /nfs/dbraw/zinc/76/27/36/349762736.db2.gz ZQNTWTQZROGPPH-UHFFFAOYSA-N 0 1 250.392 2.725 20 30 CFEDMN N#Cc1ccc([C@H](C(N)=O)N2CCC[C@@H](C3CCC3)C2)cc1 ZINC000595837039 349749183 /nfs/dbraw/zinc/74/91/83/349749183.db2.gz OAUDBNAAFDXHDH-IAGOWNOFSA-N 0 1 297.402 2.597 20 30 CFEDMN N#Cc1ccc(CCN2CCOc3ccc(O)cc3C2)cc1 ZINC000595845769 349754007 /nfs/dbraw/zinc/75/40/07/349754007.db2.gz QSOYQRXFVALJLG-UHFFFAOYSA-N 0 1 294.354 2.701 20 30 CFEDMN N#CCC[C@H](C#N)CNCCc1nsc2ccccc12 ZINC000596045545 349779877 /nfs/dbraw/zinc/77/98/77/349779877.db2.gz DZWQWYMPCZNDIG-GFCCVEGCSA-N 0 1 284.388 2.872 20 30 CFEDMN CC(C)[N@@H+]1CCC[C@H](CN=c2[n-]c(C#N)c(Cl)s2)C1 ZINC000596094843 349793924 /nfs/dbraw/zinc/79/39/24/349793924.db2.gz NDHNKQURVPBHOG-SNVBAGLBSA-N 0 1 298.843 2.622 20 30 CFEDMN CC(C)[N@H+]1CCC[C@H](CN=c2[n-]c(C#N)c(Cl)s2)C1 ZINC000596094843 349793929 /nfs/dbraw/zinc/79/39/29/349793929.db2.gz NDHNKQURVPBHOG-SNVBAGLBSA-N 0 1 298.843 2.622 20 30 CFEDMN CSCC[C@@H](C)N(C)CC(=O)Nc1cccc(C#N)c1 ZINC000126358478 187234135 /nfs/dbraw/zinc/23/41/35/187234135.db2.gz QROXOFKNRGTYQN-GFCCVEGCSA-N 0 1 291.420 2.570 20 30 CFEDMN C=CCOc1cccc(CN[C@H](C)c2cn[nH]c2)c1 ZINC000270232140 190624337 /nfs/dbraw/zinc/62/43/37/190624337.db2.gz QVPCWLSJAXVWNS-GFCCVEGCSA-N 0 1 257.337 2.825 20 30 CFEDMN CC(C)CCN(CCC#N)CCC(=O)N1CCC[C@H]1C ZINC000072691256 346936216 /nfs/dbraw/zinc/93/62/16/346936216.db2.gz RPHSBMRZRSMRAM-OAHLLOKOSA-N 0 1 279.428 2.649 20 30 CFEDMN CC(C)CCN(CCC#N)CCCc1cnn(C)c1 ZINC000072692357 346936541 /nfs/dbraw/zinc/93/65/41/346936541.db2.gz ALKZOKFMJJPMAM-UHFFFAOYSA-N 0 1 262.401 2.614 20 30 CFEDMN C#CCN(CC)C(=O)c1cc(C2CCCCC2)[nH]n1 ZINC000270311697 190645940 /nfs/dbraw/zinc/64/59/40/190645940.db2.gz VHFDIUCGALOBDI-UHFFFAOYSA-N 0 1 259.353 2.553 20 30 CFEDMN CO[C@@H]1CCN(Cc2ccccc2C#N)CC1(C)C ZINC000295080226 199334530 /nfs/dbraw/zinc/33/45/30/199334530.db2.gz RWWXPLNGCZYUOD-OAHLLOKOSA-N 0 1 258.365 2.805 20 30 CFEDMN Cc1cc(C(C#N)C(=O)[C@@H]2[C@@H](C)[C@@H]2C2CC2)nc(C)n1 ZINC000528920354 383677640 /nfs/dbraw/zinc/67/76/40/383677640.db2.gz UWYYJYAVLWXMGM-JQWOWJDXSA-N 0 1 269.348 2.562 20 30 CFEDMN C[N@@H+]1CCCC[C@H]1CCC(=O)Nc1ncccc1[O-] ZINC000330295134 530052861 /nfs/dbraw/zinc/05/28/61/530052861.db2.gz JCRWKZUYVXQQBJ-NSHDSACASA-N 0 1 263.341 2.640 20 30 CFEDMN C[N@H+]1CCCC[C@H]1CCC(=O)Nc1ncccc1[O-] ZINC000330295134 530052862 /nfs/dbraw/zinc/05/28/62/530052862.db2.gz JCRWKZUYVXQQBJ-NSHDSACASA-N 0 1 263.341 2.640 20 30 CFEDMN N#Cc1ccc(F)cc1CN(C[C@@H]1CCOC1)C1CC1 ZINC000158483001 232240441 /nfs/dbraw/zinc/24/04/41/232240441.db2.gz UALBXGHTWKMAPI-LBPRGKRZSA-N 0 1 274.339 2.698 20 30 CFEDMN COc1ccc(CSc2nc(C3CC3)n[nH]2)cc1C#N ZINC000162251309 232253552 /nfs/dbraw/zinc/25/35/52/232253552.db2.gz IIMWARZTFPIUMN-UHFFFAOYSA-N 0 1 286.360 2.855 20 30 CFEDMN COc1ccc(CSc2n[nH]c(C3CC3)n2)cc1C#N ZINC000162251309 232253555 /nfs/dbraw/zinc/25/35/55/232253555.db2.gz IIMWARZTFPIUMN-UHFFFAOYSA-N 0 1 286.360 2.855 20 30 CFEDMN C=CC[C@@H]1CCCN(Cc2cn(C3CCC3)nn2)C1 ZINC000668493199 539534675 /nfs/dbraw/zinc/53/46/75/539534675.db2.gz KUGBWNAKOQEGDH-CYBMUJFWSA-N 0 1 260.385 2.791 20 30 CFEDMN N#Cc1cccc(NC(=O)N2CCN(C3CCCC3)CC2)c1 ZINC000043329650 346382495 /nfs/dbraw/zinc/38/24/95/346382495.db2.gz NAXOCFFACBMQQE-UHFFFAOYSA-N 0 1 298.390 2.650 20 30 CFEDMN C=CCN(Cc1ccccc1OC)C[C@@H]1CCCO1 ZINC000051799035 346507316 /nfs/dbraw/zinc/50/73/16/346507316.db2.gz IUPIJRWOHSSJMZ-HNNXBMFYSA-N 0 1 261.365 2.862 20 30 CFEDMN C=CCN(CC=C)C[C@@H](O)c1ccc(F)cc1F ZINC000051087899 346500070 /nfs/dbraw/zinc/50/00/70/346500070.db2.gz LFLUBPIFOOCHLO-CQSZACIVSA-N 0 1 253.292 2.672 20 30 CFEDMN COc1ccc(C#N)cc1NC(=O)c1cccc2[nH]ncc21 ZINC000064533629 346722233 /nfs/dbraw/zinc/72/22/33/346722233.db2.gz PFDJDFCIZALSMB-UHFFFAOYSA-N 0 1 292.298 2.695 20 30 CFEDMN C[C@H]1CCCCN1CC(=O)N(C)C1(C#N)CCCCC1 ZINC000061758412 346682709 /nfs/dbraw/zinc/68/27/09/346682709.db2.gz FIORIKUDXALRSW-AWEZNQCLSA-N 0 1 277.412 2.546 20 30 CFEDMN C#CCN(CC(=O)N(C)Cc1ccco1)C1CCCCC1 ZINC000062364589 346687626 /nfs/dbraw/zinc/68/76/26/346687626.db2.gz BDBJJPBYQVFATK-UHFFFAOYSA-N 0 1 288.391 2.506 20 30 CFEDMN C#CCOc1ccccc1CNCc1c(C)nn(CC)c1C ZINC000066995795 346787584 /nfs/dbraw/zinc/78/75/84/346787584.db2.gz MHCPNXJJUNJPGE-UHFFFAOYSA-N 0 1 297.402 2.822 20 30 CFEDMN CC1(C)CCN(Cc2nnc(-c3cccc(C#N)c3)o2)C1 ZINC000076013667 347114259 /nfs/dbraw/zinc/11/42/59/347114259.db2.gz UOLKGYPNTNBACA-UHFFFAOYSA-N 0 1 282.347 2.840 20 30 CFEDMN C[C@H](C#N)CN(C)C[C@@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC000067378120 346800339 /nfs/dbraw/zinc/80/03/39/346800339.db2.gz DGVQUQLILPWTPG-KGLIPLIRSA-N 0 1 295.427 2.725 20 30 CFEDMN N#Cc1ccc(CN2CCC[C@@H]2C[C@@H](O)c2ccco2)o1 ZINC000091958596 347604015 /nfs/dbraw/zinc/60/40/15/347604015.db2.gz SUTJTCPJDABFNO-IUODEOHRSA-N 0 1 286.331 2.832 20 30 CFEDMN CCO[C@@H]1CCCN(Cc2ccc(F)c(C#N)c2)C1 ZINC000121340983 347811268 /nfs/dbraw/zinc/81/12/68/347811268.db2.gz ZTYUEZFPDVLKOL-CQSZACIVSA-N 0 1 262.328 2.698 20 30 CFEDMN N#Cc1cccc(CN[C@@H]2CCN(C3CCCCC3)C2=O)c1 ZINC000131610870 347879385 /nfs/dbraw/zinc/87/93/85/347879385.db2.gz NMIVJRAFMCJSFC-QGZVFWFLSA-N 0 1 297.402 2.581 20 30 CFEDMN C[C@](CO)(NCc1cccc(C#N)c1)c1ccccc1 ZINC000169255504 348050800 /nfs/dbraw/zinc/05/08/00/348050800.db2.gz BEDKMRGBDGVMAR-QGZVFWFLSA-N 0 1 266.344 2.556 20 30 CFEDMN C=CCCCN1CCN(C(=O)c2ccc(C)c(F)c2)CC1 ZINC000172176062 348088072 /nfs/dbraw/zinc/08/80/72/348088072.db2.gz HUPJWAOKPUMPLT-UHFFFAOYSA-N 0 1 290.382 2.858 20 30 CFEDMN CO[C@H]1C[N@@H+](Cc2ccc(C#N)cc2C)CC[C@@H]1C ZINC000221137321 348170094 /nfs/dbraw/zinc/17/00/94/348170094.db2.gz NDZSZKZOOFSXDY-LRDDRELGSA-N 0 1 258.365 2.724 20 30 CFEDMN COc1cc(CN2C[C@H](C)S[C@@H](C)C2)ccc1C#N ZINC000235010840 348223840 /nfs/dbraw/zinc/22/38/40/348223840.db2.gz LANMTFNQSPFMTL-RYUDHWBXSA-N 0 1 276.405 2.893 20 30 CFEDMN C=C[C@H](Sc1nc2ccc(OCC)cc2[nH]1)C(=O)OC ZINC000312437130 348417948 /nfs/dbraw/zinc/41/79/48/348417948.db2.gz PUEKBQANWUFHQF-LBPRGKRZSA-N 0 1 292.360 2.781 20 30 CFEDMN Cc1ccc2nc(NC(=O)CC(C)(C)C#N)[nH]c2c1 ZINC000336476749 348451323 /nfs/dbraw/zinc/45/13/23/348451323.db2.gz RITVQAGLRROOPN-UHFFFAOYSA-N 0 1 256.309 2.750 20 30 CFEDMN CC[C@H]1COC(C)(C)CN1CCOc1ccccc1C#N ZINC000403829297 348587526 /nfs/dbraw/zinc/58/75/26/348587526.db2.gz AIXKMUBSALKFQW-HNNXBMFYSA-N 0 1 288.391 2.826 20 30 CFEDMN CC[C@@H]1CN(CCOc2ccc(C#N)cc2)[C@@H](CC)CO1 ZINC000403888304 348588043 /nfs/dbraw/zinc/58/80/43/348588043.db2.gz PZPOJRLXEKDHBK-JKSUJKDBSA-N 0 1 288.391 2.826 20 30 CFEDMN C[C@](CO)(NCc1ccc(C#N)c(F)c1)c1ccccc1 ZINC000404173660 348590399 /nfs/dbraw/zinc/59/03/99/348590399.db2.gz YMZFZQVYPAFVMP-QGZVFWFLSA-N 0 1 284.334 2.695 20 30 CFEDMN COc1cc(CN2CCC[C@@H](CC#N)C2)ccc1C#N ZINC000397682376 348563005 /nfs/dbraw/zinc/56/30/05/348563005.db2.gz MICLQIPBMABPFW-ZDUSSCGKSA-N 0 1 269.348 2.693 20 30 CFEDMN COc1cc(CNCc2ccc(CC#N)cc2)sn1 ZINC000399139485 348568869 /nfs/dbraw/zinc/56/88/69/348568869.db2.gz YYMSGNOIFQEAIY-UHFFFAOYSA-N 0 1 273.361 2.508 20 30 CFEDMN C#C[C@@H](C)N(C)Cc1cc(CC=C)c(O)c(OC)c1 ZINC000491632697 348629441 /nfs/dbraw/zinc/62/94/41/348629441.db2.gz QEVNELSFLGOVKV-GFCCVEGCSA-N 0 1 259.349 2.583 20 30 CFEDMN CN(C(=O)c1ccc2cncn2c1)c1ccc(C#N)cc1F ZINC000585740535 348741322 /nfs/dbraw/zinc/74/13/22/348741322.db2.gz SQKBZOPXTLJAIE-UHFFFAOYSA-N 0 1 294.289 2.622 20 30 CFEDMN CN(CC(=O)N[C@@](C)(C#N)C1CC1)C(C)(C)c1ccccc1 ZINC000585754292 348742750 /nfs/dbraw/zinc/74/27/50/348742750.db2.gz FRILWBVFEZEPLI-SFHVURJKSA-N 0 1 299.418 2.662 20 30 CFEDMN Cc1ccncc1[C@@H](C)NCc1cnc2ccc(C#N)cn12 ZINC000585766822 348743874 /nfs/dbraw/zinc/74/38/74/348743874.db2.gz VVEOQUZCFMSAFP-CYBMUJFWSA-N 0 1 291.358 2.760 20 30 CFEDMN N#Cc1csc(CNc2cc3c(cn2)CCCC3)n1 ZINC000589659799 348850323 /nfs/dbraw/zinc/85/03/23/348850323.db2.gz IATLHVYLYARJSF-UHFFFAOYSA-N 0 1 270.361 2.901 20 30 CFEDMN CC(C)[C@@](C)(C#N)NC(=O)[C@H](C)N1CCC(C2CC2)CC1 ZINC000590008108 348868659 /nfs/dbraw/zinc/86/86/59/348868659.db2.gz DNIFEBKRHHVTNO-SUMWQHHRSA-N 0 1 291.439 2.551 20 30 CFEDMN N#CC1(CC(=O)Nc2cc(F)cc(Cl)c2O)CC1 ZINC000590330428 348894755 /nfs/dbraw/zinc/89/47/55/348894755.db2.gz GLNCXAQXKRPKAP-UHFFFAOYSA-N 0 1 268.675 2.817 20 30 CFEDMN N#Cc1cc(CN2CCC[C@H](c3ccncc3)C2)ccn1 ZINC000590741206 348940411 /nfs/dbraw/zinc/94/04/11/348940411.db2.gz KSBLLDGGVSIGEP-INIZCTEOSA-N 0 1 278.359 2.728 20 30 CFEDMN Cc1ccc(CN(C)CCOc2ccc(C#N)cc2)nc1 ZINC000590754661 348942657 /nfs/dbraw/zinc/94/26/57/348942657.db2.gz MXEPIOIMBJGISK-UHFFFAOYSA-N 0 1 281.359 2.773 20 30 CFEDMN C[C@H]1Cc2cn[nH]c2[C@H](C(=O)Nc2ccc(F)c(C#N)c2)C1 ZINC000590429706 348900706 /nfs/dbraw/zinc/90/07/06/348900706.db2.gz SYLPXOJVHUASNE-TVQRCGJNSA-N 0 1 298.321 2.725 20 30 CFEDMN CC[C@H]1CN(C)CCN1C(=O)C[C@@H](CC#N)c1ccccc1 ZINC000590522892 348907342 /nfs/dbraw/zinc/90/73/42/348907342.db2.gz DUTXBICDLJTQSN-SJORKVTESA-N 0 1 299.418 2.627 20 30 CFEDMN CC(C)OCC(C)(C)NCc1cccc(F)c1C#N ZINC000591054585 348983250 /nfs/dbraw/zinc/98/32/50/348983250.db2.gz SFWGLLZFLPXPRW-UHFFFAOYSA-N 0 1 264.344 2.991 20 30 CFEDMN CN(Cc1ccnc(C#N)c1)C1CC(OC(C)(C)C)C1 ZINC000591478036 349026812 /nfs/dbraw/zinc/02/68/12/349026812.db2.gz NRKHQLKXFQCJII-UHFFFAOYSA-N 0 1 273.380 2.731 20 30 CFEDMN CCS[C@H]1CCC[C@@H]1NCc1ccncc1C#N ZINC000592121305 349086190 /nfs/dbraw/zinc/08/61/90/349086190.db2.gz GCGPXXFHOVRQAL-KBPBESRZSA-N 0 1 261.394 2.717 20 30 CFEDMN C[C@@H]1C[C@@H](C)CN(C(=O)CN2CCC(CCC#N)CC2)C1 ZINC000592135876 349089253 /nfs/dbraw/zinc/08/92/53/349089253.db2.gz KANMDPXCXYXWLR-HUUCEWRRSA-N 0 1 291.439 2.507 20 30 CFEDMN C[C@@H](c1ccc(OC(F)F)cc1)N1CC[C@@](O)(CC#N)C1 ZINC000592148252 349091720 /nfs/dbraw/zinc/09/17/20/349091720.db2.gz XAIRWFOZHWJAPK-NHYWBVRUSA-N 0 1 296.317 2.699 20 30 CFEDMN Cc1cc(C#N)ccc1CN1CCOC[C@H]1C1CCC1 ZINC000592153470 349092175 /nfs/dbraw/zinc/09/21/75/349092175.db2.gz AWIRFPARQHMVAK-KRWDZBQOSA-N 0 1 270.376 2.868 20 30 CFEDMN N#CC[C@]1(O)CCN(C/C=C/c2ccc(Cl)cc2)C1 ZINC000592153156 349092391 /nfs/dbraw/zinc/09/23/91/349092391.db2.gz JWRMFTSKACQVNA-YLSAJCSVSA-N 0 1 276.767 2.704 20 30 CFEDMN CC(C)(C)c1n[nH]c(SCc2ccncc2C#N)n1 ZINC000592345746 349106237 /nfs/dbraw/zinc/10/62/37/349106237.db2.gz VBWHAYZUSTXBSL-UHFFFAOYSA-N 0 1 273.365 2.661 20 30 CFEDMN CC(C)(C)c1nc(SCc2ccncc2C#N)n[nH]1 ZINC000592345746 349106238 /nfs/dbraw/zinc/10/62/38/349106238.db2.gz VBWHAYZUSTXBSL-UHFFFAOYSA-N 0 1 273.365 2.661 20 30 CFEDMN CC(C)COc1ccc(CN2CC[C@](O)(CC#N)C2)cc1 ZINC000592521724 349132619 /nfs/dbraw/zinc/13/26/19/349132619.db2.gz BMSPUBBEIDYHER-QGZVFWFLSA-N 0 1 288.391 2.572 20 30 CFEDMN CO[C@H](C)CN(Cc1ccc(C#N)cc1[N+](=O)[O-])C(C)C ZINC000593014957 349187061 /nfs/dbraw/zinc/18/70/61/349187061.db2.gz VZUBBDZNJZYMNC-GFCCVEGCSA-N 0 1 291.351 2.712 20 30 CFEDMN CC[C@H](OCCN1CC[C@@](O)(CC#N)C1)c1ccccc1 ZINC000593035819 349190992 /nfs/dbraw/zinc/19/09/92/349190992.db2.gz SSBUSCRFQUXNGE-IRXDYDNUSA-N 0 1 288.391 2.505 20 30 CFEDMN CCN(Cc1cn2ccccc2c1C#N)[C@H]1CCCOC1 ZINC000593069475 349201405 /nfs/dbraw/zinc/20/14/05/349201405.db2.gz SRHKJYHPAZAVCF-HNNXBMFYSA-N 0 1 283.375 2.812 20 30 CFEDMN C[C@@H](CO)C1CCN(Cc2ccc(C#N)c(F)c2)CC1 ZINC000593081693 349203742 /nfs/dbraw/zinc/20/37/42/349203742.db2.gz HHYNTYGDWKSIFV-LBPRGKRZSA-N 0 1 276.355 2.538 20 30 CFEDMN Cc1nc(N(C)CCN2CCCCC2)c(Cl)cc1C#N ZINC000593518046 349288812 /nfs/dbraw/zinc/28/88/12/349288812.db2.gz XDRIEXGJDNEEGV-UHFFFAOYSA-N 0 1 292.814 2.837 20 30 CFEDMN CC[C@@H](C#N)C(=O)Nc1cc(F)cc(Cl)c1O ZINC000593613670 349298890 /nfs/dbraw/zinc/29/88/90/349298890.db2.gz OVPOUSQPIIZHJA-LURJTMIESA-N 0 1 256.664 2.673 20 30 CFEDMN CC[C@@H](C#N)C(=O)NC[C@@H](c1cccs1)N1CCCC1 ZINC000593392173 349259630 /nfs/dbraw/zinc/25/96/30/349259630.db2.gz PPEACZWZFRRMAS-STQMWFEESA-N 0 1 291.420 2.551 20 30 CFEDMN C=CCCn1cc(CN[C@H]2CCC[C@@H]2SCC)nn1 ZINC000593997643 349349242 /nfs/dbraw/zinc/34/92/42/349349242.db2.gz VZWDHCAKQPARTF-KBPBESRZSA-N 0 1 280.441 2.618 20 30 CFEDMN CC1(C)CC[C@@H]1NCc1nnc(-c2ccc(C#N)cc2)o1 ZINC000594006097 349351910 /nfs/dbraw/zinc/35/19/10/349351910.db2.gz SOESQCUUAYCOJE-ZDUSSCGKSA-N 0 1 282.347 2.886 20 30 CFEDMN COC[C@@H](Cc1ccccc1)NCC1(C#N)CCCC1 ZINC000593653642 349304805 /nfs/dbraw/zinc/30/48/05/349304805.db2.gz UMKNXMQXOWVZMT-MRXNPFEDSA-N 0 1 272.392 2.918 20 30 CFEDMN CC[C@@H](C#N)C(=O)Nc1cc(Cl)c(O)cc1F ZINC000593707782 349312976 /nfs/dbraw/zinc/31/29/76/349312976.db2.gz QNIJCCLLKASUDT-LURJTMIESA-N 0 1 256.664 2.673 20 30 CFEDMN C[C@H](Cn1cccn1)[NH+]=C([O-])N[C@@H]1CC[C@@H]2CCC[C@@H]2C1 ZINC000329822103 539737478 /nfs/dbraw/zinc/73/74/78/539737478.db2.gz PWTLZCUPFKDZLP-LXTVHRRPSA-N 0 1 290.411 2.744 20 30 CFEDMN C[C@H](Cn1cccn1)NC([O-])=[NH+][C@@H]1CC[C@@H]2CCC[C@@H]2C1 ZINC000329822103 539737480 /nfs/dbraw/zinc/73/74/80/539737480.db2.gz PWTLZCUPFKDZLP-LXTVHRRPSA-N 0 1 290.411 2.744 20 30 CFEDMN COC(=O)[C@H]1CCC[N@@H+](Cc2ccc(C3(C#N)CC3)cc2)C1 ZINC000596983435 350011438 /nfs/dbraw/zinc/01/14/38/350011438.db2.gz YVGKSJNWWRSBNZ-HNNXBMFYSA-N 0 1 298.386 2.627 20 30 CFEDMN COCCc1ccc(OC[C@@H](C)NCC2(C#N)CC2)cc1 ZINC000597121690 350032452 /nfs/dbraw/zinc/03/24/52/350032452.db2.gz SASQDSNPIRWYEP-CQSZACIVSA-N 0 1 288.391 2.536 20 30 CFEDMN C[C@@H]1[C@@H](C)[N@@H+](Cc2ccc(C3(C#N)CC3)cc2)CCN1C ZINC000597086861 350028344 /nfs/dbraw/zinc/02/83/44/350028344.db2.gz BXTIPKFGEHUEES-HUUCEWRRSA-N 0 1 283.419 2.766 20 30 CFEDMN Cc1n[nH]c(C(=O)NC2(c3ccc(C#N)cc3)CCC2)c1C ZINC000594403274 349415220 /nfs/dbraw/zinc/41/52/20/349415220.db2.gz HMRDTQKBFCALAL-UHFFFAOYSA-N 0 1 294.358 2.707 20 30 CFEDMN CO[C@H](C)C[N@@H+](C)Cc1ccc(C2(C#N)CC2)cc1 ZINC000597126257 350033575 /nfs/dbraw/zinc/03/35/75/350033575.db2.gz IPKOQSGIVNTWIT-CYBMUJFWSA-N 0 1 258.365 2.708 20 30 CFEDMN N#CC1(c2ccc(CN3CC(C(F)F)C3)cc2)CC1 ZINC000597145873 350038811 /nfs/dbraw/zinc/03/88/11/350038811.db2.gz JPBXOIZGQRDMRR-UHFFFAOYSA-N 0 1 262.303 2.939 20 30 CFEDMN N#Cc1ccc2ncc(CN3CCC[C@@H](CCF)C3)n2c1 ZINC000597211337 350057893 /nfs/dbraw/zinc/05/78/93/350057893.db2.gz MTKQELUYSISDQX-ZDUSSCGKSA-N 0 1 286.354 2.778 20 30 CFEDMN CN(c1ccccc1)[C@@H]1CCN(Cc2ccc(C#N)o2)C1 ZINC000597225038 350062626 /nfs/dbraw/zinc/06/26/26/350062626.db2.gz XRWIJIASBYRVKP-OAHLLOKOSA-N 0 1 281.359 2.862 20 30 CFEDMN CC[C@H]1CN(C(=O)[C@H](C)CC#N)CCN1Cc1ccccc1 ZINC000597503217 350106029 /nfs/dbraw/zinc/10/60/29/350106029.db2.gz BBNIZYAINPCPRM-WBVHZDCISA-N 0 1 299.418 2.659 20 30 CFEDMN C[C@H](Oc1ccc(C#N)cc1)c1nc(C2(N)CCCC2)no1 ZINC000414613201 233301961 /nfs/dbraw/zinc/30/19/61/233301961.db2.gz FSVBTXODLAPICW-NSHDSACASA-N 0 1 298.346 2.809 20 30 CFEDMN CC(C)(C#N)C[C@@H](O)CN1CC[C@@](F)(c2ccccc2)C1 ZINC000598622152 350295625 /nfs/dbraw/zinc/29/56/25/350295625.db2.gz YHCBSEKLDJFKMR-WBVHZDCISA-N 0 1 290.382 2.858 20 30 CFEDMN CC1(C)CC[C@@H](CO)N(Cc2cn3ccccc3c2C#N)C1 ZINC000598648245 350301248 /nfs/dbraw/zinc/30/12/48/350301248.db2.gz PBVDMOHQVVUNAN-HNNXBMFYSA-N 0 1 297.402 2.794 20 30 CFEDMN CC1(C)CC[C@H](CO)N(Cc2ccc(C#N)c(F)c2)C1 ZINC000598648207 350301323 /nfs/dbraw/zinc/30/13/23/350301323.db2.gz OTKLYYFFUQAXRU-CQSZACIVSA-N 0 1 276.355 2.680 20 30 CFEDMN Cc1ccc(CN2CC[C@@H]([C@@H](O)C(F)(F)F)C2)cc1C#N ZINC000599435008 350437856 /nfs/dbraw/zinc/43/78/56/350437856.db2.gz OUFLXTMFVIAQFQ-TZMCWYRMSA-N 0 1 298.308 2.612 20 30 CFEDMN C=CCN(Cc1cnc[nH]1)Cc1ccc(OC)cc1 ZINC000092217509 180345444 /nfs/dbraw/zinc/34/54/44/180345444.db2.gz AYBQHICHSXGZTF-UHFFFAOYSA-N 0 1 257.337 2.607 20 30 CFEDMN N#CC1(C[C@@H](O)CN2CC[C@H]2c2cccc(F)c2)CC1 ZINC000599316190 350413237 /nfs/dbraw/zinc/41/32/37/350413237.db2.gz MGAFIYCPZBYMAU-CABCVRRESA-N 0 1 274.339 2.627 20 30 CFEDMN Cc1ccc(CN2CCCN(CC(F)F)CC2)cc1C#N ZINC000599351698 350420809 /nfs/dbraw/zinc/42/08/09/350420809.db2.gz HKSYBGMNNOUFRL-UHFFFAOYSA-N 0 1 293.361 2.640 20 30 CFEDMN C[C@@H]1CN(Cc2ccnc(C#N)c2)C[C@H](C)C1(F)F ZINC000599512630 350447801 /nfs/dbraw/zinc/44/78/01/350447801.db2.gz LLWZMVHLWCXQCK-PHIMTYICSA-N 0 1 265.307 2.676 20 30 CFEDMN C[C@@H](c1ccc(C#N)cc1)N1CCN(CCCF)CC1 ZINC000599672757 350477572 /nfs/dbraw/zinc/47/75/72/350477572.db2.gz UXIXXIUAMBHNHJ-AWEZNQCLSA-N 0 1 275.371 2.596 20 30 CFEDMN C[C@@H](CCC#N)N1CCc2c(CC#N)cccc2C1 ZINC000599677817 350479855 /nfs/dbraw/zinc/47/98/55/350479855.db2.gz LWGYTEWBJZKWFB-ZDUSSCGKSA-N 0 1 253.349 2.803 20 30 CFEDMN C=CCN(Cc1cccc(C#N)c1)CC1=CCCOC1 ZINC000092504537 180398679 /nfs/dbraw/zinc/39/86/79/180398679.db2.gz REJGDMIUBOFONE-UHFFFAOYSA-N 0 1 268.360 2.893 20 30 CFEDMN N#CC1(C[C@@H](O)CNc2ccc3cnccc3c2)CC1 ZINC000600739092 350604163 /nfs/dbraw/zinc/60/41/63/350604163.db2.gz PMEXFIXXNAIPRC-OAHLLOKOSA-N 0 1 267.332 2.701 20 30 CFEDMN CN(CCOc1ccccc1C#N)CCC(F)(F)F ZINC000109120372 186244611 /nfs/dbraw/zinc/24/46/11/186244611.db2.gz DJLBUWDQBBWOMD-UHFFFAOYSA-N 0 1 272.270 2.821 20 30 CFEDMN N#Cc1ccc(CN2CCC[C@@H](c3nnc(C4CC4)[nH]3)C2)o1 ZINC000271389419 191112509 /nfs/dbraw/zinc/11/25/09/191112509.db2.gz STTSUBMFZLXAPO-GFCCVEGCSA-N 0 1 297.362 2.526 20 30 CFEDMN CC[C@H](CC(=O)NC1(C#N)CCN(C)CC1)C(C)(C)C ZINC000601043098 350649268 /nfs/dbraw/zinc/64/92/68/350649268.db2.gz RXPYBAQREZFKQL-CYBMUJFWSA-N 0 1 279.428 2.553 20 30 CFEDMN Cc1cc(C2CCN(c3cc(C#N)cc(C)n3)CC2)[nH]n1 ZINC000601141346 350680667 /nfs/dbraw/zinc/68/06/67/350680667.db2.gz JSTHCILWBMRXNA-UHFFFAOYSA-N 0 1 281.363 2.677 20 30 CFEDMN Cc1[nH]n([C@H]2CCc3c2cccc3F)c(=O)c1CCC#N ZINC000601948984 350816025 /nfs/dbraw/zinc/81/60/25/350816025.db2.gz IEKPVWJZKAIOGK-ABAIWWIYSA-N 0 1 285.322 2.951 20 30 CFEDMN Cc1[nH]n(-c2ccc(C#N)c(Cl)c2)c(=O)c1CCC#N ZINC000601949480 350816038 /nfs/dbraw/zinc/81/60/38/350816038.db2.gz PZXBDPBVNUJMTR-LBPRGKRZSA-N 0 1 286.722 2.854 20 30 CFEDMN C[C@H]1CCc2[nH]n(-c3ccc(C#N)c(Cl)c3)c(=O)c21 ZINC000601950047 350816922 /nfs/dbraw/zinc/81/69/22/350816922.db2.gz STYQMADGDXTOKZ-SDBXPKJASA-N 0 1 273.723 2.960 20 30 CFEDMN Cc1cc(CN2CCO[C@@H](C(F)F)CC2)ccc1C#N ZINC000601970459 350821843 /nfs/dbraw/zinc/82/18/43/350821843.db2.gz JDJDGMLRANZOER-CQSZACIVSA-N 0 1 280.318 2.723 20 30 CFEDMN CN(C(=O)c1ccc(O)c(Cl)c1)[C@@H]1CCC[C@H]1C#N ZINC000601824182 350786929 /nfs/dbraw/zinc/78/69/29/350786929.db2.gz UKUSIKXGCMSYMC-CMPLNLGQSA-N 0 1 278.739 2.810 20 30 CFEDMN CN(C(=O)c1ccc(O)c(Cl)c1)[C@@H]1CCC[C@@H]1C#N ZINC000601824187 350787121 /nfs/dbraw/zinc/78/71/21/350787121.db2.gz UKUSIKXGCMSYMC-ZYHUDNBSSA-N 0 1 278.739 2.810 20 30 CFEDMN C=CCN(CC1CCCCC1)C(=O)N[C@@H]1CCCN(C)C1 ZINC000601893548 350798841 /nfs/dbraw/zinc/79/88/41/350798841.db2.gz FSMMYIRPSMJVNO-MRXNPFEDSA-N 0 1 293.455 2.859 20 30 CFEDMN CC[C@H](C)c1cc(=O)n(Cc2cccc(C#N)c2)[nH]1 ZINC000601945928 350813383 /nfs/dbraw/zinc/81/33/83/350813383.db2.gz VXWOEMJUMHDPNX-NSHDSACASA-N 0 1 255.321 2.693 20 30 CFEDMN CCC(O)(CC)CCNCc1cccc(F)c1C#N ZINC000602017041 350832932 /nfs/dbraw/zinc/83/29/32/350832932.db2.gz LJJMAKVJAOYMSS-UHFFFAOYSA-N 0 1 264.344 2.728 20 30 CFEDMN CC[C@@H](C)[C@H](CNCc1cccc(F)c1C#N)OC ZINC000602024434 350834775 /nfs/dbraw/zinc/83/47/75/350834775.db2.gz MRQCWZBOTWSTNB-ABAIWWIYSA-N 0 1 264.344 2.848 20 30 CFEDMN CC(C)(O)C(C)(C)CNCc1cccc(F)c1C#N ZINC000602026023 350834970 /nfs/dbraw/zinc/83/49/70/350834970.db2.gz UCLJGBIAXKBHAY-UHFFFAOYSA-N 0 1 264.344 2.584 20 30 CFEDMN C[C@@H](NC(=O)[C@@H]1CCN1C1CCCC1)c1cccc(C#N)c1 ZINC000602109661 350842144 /nfs/dbraw/zinc/84/21/44/350842144.db2.gz UJOFXXPUPBSNIE-DYVFJYSZSA-N 0 1 297.402 2.752 20 30 CFEDMN CN1CCCC[C@H]1C(=O)NC1(c2ccc(C#N)cc2)CCC1 ZINC000602174364 350849210 /nfs/dbraw/zinc/84/92/10/350849210.db2.gz JXXAAEUKVZHIOW-INIZCTEOSA-N 0 1 297.402 2.538 20 30 CFEDMN CN(CC(=O)Nc1ccc(C#N)c(Cl)c1)CC1CCC1 ZINC000111297710 186392833 /nfs/dbraw/zinc/39/28/33/186392833.db2.gz CYAVBQKVAJTODF-UHFFFAOYSA-N 0 1 291.782 2.882 20 30 CFEDMN C[C@@H](COCC(F)(F)F)NCc1cccc(F)c1C#N ZINC000602006169 350829083 /nfs/dbraw/zinc/82/90/83/350829083.db2.gz KVHJOBMTGIIIOG-VIFPVBQESA-N 0 1 290.260 2.754 20 30 CFEDMN CN(CCN(C)c1ccccc1)Cc1cccc(C#N)n1 ZINC000602477950 350898885 /nfs/dbraw/zinc/89/88/85/350898885.db2.gz ZBEPZUPWAZBYBX-UHFFFAOYSA-N 0 1 280.375 2.521 20 30 CFEDMN CCc1ccc(CNCc2cccc(C#N)n2)s1 ZINC000602513911 350910862 /nfs/dbraw/zinc/91/08/62/350910862.db2.gz GMORJTAVSTZAKV-UHFFFAOYSA-N 0 1 257.362 2.867 20 30 CFEDMN C[C@@H](CCC#N)CN1CCO[C@H](Cc2ccccc2)C1 ZINC000602586117 350936427 /nfs/dbraw/zinc/93/64/27/350936427.db2.gz ZMCLBJMMTXPRCJ-DOTOQJQBSA-N 0 1 272.392 2.870 20 30 CFEDMN C=C(C)CN(CC)Cc1cc(C)c(C(=O)OC)[nH]1 ZINC000602430362 350878933 /nfs/dbraw/zinc/87/89/33/350878933.db2.gz YXYHJMCIPUJPEP-UHFFFAOYSA-N 0 1 250.342 2.508 20 30 CFEDMN Cc1ccccc1CN(C)Cc1cccc(C#N)n1 ZINC000602434728 350881010 /nfs/dbraw/zinc/88/10/10/350881010.db2.gz QYYSHXPJRDMMCW-UHFFFAOYSA-N 0 1 251.333 2.894 20 30 CFEDMN C[C@H](CCC#N)CN1CCC[C@@H]1C(=O)OC(C)(C)C ZINC000602475732 350896930 /nfs/dbraw/zinc/89/69/30/350896930.db2.gz JUHTWOOOICRNMO-CHWSQXEVSA-N 0 1 266.385 2.732 20 30 CFEDMN C[C@H](CCC#N)CN1CCOC[C@@H]1c1ccccc1 ZINC000602475072 350897504 /nfs/dbraw/zinc/89/75/04/350897504.db2.gz IUODXQDYYOKOHJ-GDBMZVCRSA-N 0 1 258.365 3.000 20 30 CFEDMN C[C@H](CCC#N)CN(C)Cc1nc(-c2cccnc2)no1 ZINC000602476049 350897515 /nfs/dbraw/zinc/89/75/15/350897515.db2.gz VHYUXVLCFYQUMT-GFCCVEGCSA-N 0 1 285.351 2.503 20 30 CFEDMN Cc1noc([C@@H]2CCCCN2C[C@H](C)CCC#N)n1 ZINC000602652747 350961885 /nfs/dbraw/zinc/96/18/85/350961885.db2.gz FPSKRYJUXYHGCJ-YPMHNXCESA-N 0 1 262.357 2.845 20 30 CFEDMN C[C@H](CCC#N)CN1CCOc2cccc(F)c2C1 ZINC000602658060 350963317 /nfs/dbraw/zinc/96/33/17/350963317.db2.gz HZVKXKGCQZCEPY-GFCCVEGCSA-N 0 1 262.328 2.960 20 30 CFEDMN N#Cc1cccc(CN2CC(C3CCCCC3)C2)n1 ZINC000602691552 350981428 /nfs/dbraw/zinc/98/14/28/350981428.db2.gz WVEBGNNHHLMUCY-UHFFFAOYSA-N 0 1 255.365 2.965 20 30 CFEDMN C[C@H](CCC#N)CN1CCNC(=O)[C@@H]1CC1CCCCC1 ZINC000602697673 350984686 /nfs/dbraw/zinc/98/46/86/350984686.db2.gz KZRCONKIYOMCPG-ZBFHGGJFSA-N 0 1 291.439 2.697 20 30 CFEDMN N#CC1(CNCc2ccc3nccnc3c2)CCCC1 ZINC000602700924 350987156 /nfs/dbraw/zinc/98/71/56/350987156.db2.gz XQZKPDHZWCWGSH-UHFFFAOYSA-N 0 1 266.348 2.803 20 30 CFEDMN Cc1cc(C)cc(CNCc2cccc(C#N)n2)c1 ZINC000602709607 350992242 /nfs/dbraw/zinc/99/22/42/350992242.db2.gz NZYICOUWRUYMQQ-UHFFFAOYSA-N 0 1 251.333 2.860 20 30 CFEDMN C[C@H](C#N)CN[C@H]1C[C@@H](OC(C)(C)C)C12CCC2 ZINC000602608907 350944464 /nfs/dbraw/zinc/94/44/64/350944464.db2.gz ZCBMMBGYPNZCHS-FRRDWIJNSA-N 0 1 250.386 2.862 20 30 CFEDMN Cn1nccc1C1=C[C@H]2CC[C@@H](C1)N2CC1(CC#N)CC1 ZINC000602827983 351039118 /nfs/dbraw/zinc/03/91/18/351039118.db2.gz PXXQFGXBUHPTIJ-CABCVRRESA-N 0 1 282.391 2.734 20 30 CFEDMN CN(CC1(CC#N)CC1)[C@@H](CO)c1ccc(Cl)cc1 ZINC000602837068 351041045 /nfs/dbraw/zinc/04/10/45/351041045.db2.gz SWSKBXUWTYAYPR-AWEZNQCLSA-N 0 1 278.783 2.999 20 30 CFEDMN COc1ccccc1C1(NCC2(CC#N)CC2)CC1 ZINC000602852014 351045057 /nfs/dbraw/zinc/04/50/57/351045057.db2.gz MVTAPYLBDAVYOV-UHFFFAOYSA-N 0 1 256.349 2.968 20 30 CFEDMN C[C@H]1CN(Cc2cnc3ccccc3c2)C[C@H](C)N1CC#N ZINC000602854697 351047711 /nfs/dbraw/zinc/04/77/11/351047711.db2.gz QFAOMISSQGYCCK-GJZGRUSLSA-N 0 1 294.402 2.653 20 30 CFEDMN C[C@@H](c1cccc(F)c1)N1C[C@@H](C)N(CC#N)[C@@H](C)C1 ZINC000602859839 351048108 /nfs/dbraw/zinc/04/81/08/351048108.db2.gz ZPGBJMQUONMPFZ-MJBXVCDLSA-N 0 1 275.371 2.805 20 30 CFEDMN CSC1CCN(Cc2ccc(C#N)cc2[N+](=O)[O-])CC1 ZINC000602921161 351066892 /nfs/dbraw/zinc/06/68/92/351066892.db2.gz QODCHYFMDMVEPA-UHFFFAOYSA-N 0 1 291.376 2.794 20 30 CFEDMN Cc1ccc(C[N@@H+]2CCC=C(c3cnn(C)c3)C2)cc1C#N ZINC000602881390 351056086 /nfs/dbraw/zinc/05/60/86/351056086.db2.gz DZZRRTFBIZWNLX-UHFFFAOYSA-N 0 1 292.386 2.890 20 30 CFEDMN Cc1ccc(CN2CCC=C(c3cnn(C)c3)C2)cc1C#N ZINC000602881390 351056088 /nfs/dbraw/zinc/05/60/88/351056088.db2.gz DZZRRTFBIZWNLX-UHFFFAOYSA-N 0 1 292.386 2.890 20 30 CFEDMN N#Cc1cccc(CN2CCC[C@@H](n3ccnn3)CC2)c1F ZINC000602893165 351059579 /nfs/dbraw/zinc/05/95/79/351059579.db2.gz UBNGJVABBWCACD-OAHLLOKOSA-N 0 1 299.353 2.516 20 30 CFEDMN N#CCC1(CN2CCOC(C3CC3)(C3CC3)C2)CC1 ZINC000602901685 351061389 /nfs/dbraw/zinc/06/13/89/351061389.db2.gz CZBHRXDHLKSACV-UHFFFAOYSA-N 0 1 260.381 2.571 20 30 CFEDMN COc1cc(CN2CCC(C)(F)CC2)ccc1C#N ZINC000602741680 351011259 /nfs/dbraw/zinc/01/12/59/351011259.db2.gz LFVWVZSRISXFTL-UHFFFAOYSA-N 0 1 262.328 2.891 20 30 CFEDMN CCn1nc(C)c(C[N@@H+](C)CCC(C)(C)C#N)c1C ZINC000602925286 351067716 /nfs/dbraw/zinc/06/77/16/351067716.db2.gz JWSMZQMEIRZJES-UHFFFAOYSA-N 0 1 262.401 2.892 20 30 CFEDMN CCn1nc(C)c(CN(C)CCC(C)(C)C#N)c1C ZINC000602925286 351067719 /nfs/dbraw/zinc/06/77/19/351067719.db2.gz JWSMZQMEIRZJES-UHFFFAOYSA-N 0 1 262.401 2.892 20 30 CFEDMN CN(C[C@H](O)C1CCCCC1)[C@H]1CCC[C@@H]1C#N ZINC000602979199 351080343 /nfs/dbraw/zinc/08/03/43/351080343.db2.gz BBTWJAPMJYNDBJ-ILXRZTDVSA-N 0 1 250.386 2.552 20 30 CFEDMN Cc1[nH]n(Cc2ccc(F)c(F)c2)c(=O)c1CCC#N ZINC000603921301 351192279 /nfs/dbraw/zinc/19/22/79/351192279.db2.gz PUNJHTLSPRFLSH-NSHDSACASA-N 0 1 277.274 2.603 20 30 CFEDMN Cc1[nH]n(Cc2ccc(C)cc2)c(=O)c1CCC#N ZINC000603921241 351191921 /nfs/dbraw/zinc/19/19/21/351191921.db2.gz NBGMCGMQFHZPSD-AWEZNQCLSA-N 0 1 255.321 2.633 20 30 CFEDMN C=CC[C@H](C)NC(=O)c1ccc(CN(CC)CC)o1 ZINC000604880062 351228885 /nfs/dbraw/zinc/22/88/85/351228885.db2.gz OUMGXBJNCPJGMV-LBPRGKRZSA-N 0 1 264.369 2.816 20 30 CFEDMN N#Cc1ccc(NCCN2Cc3ccccc3C2)cc1 ZINC000604482914 351214787 /nfs/dbraw/zinc/21/47/87/351214787.db2.gz OBNUZRLWOQCELE-UHFFFAOYSA-N 0 1 263.344 2.986 20 30 CFEDMN C=C(C)CN(CC)C(=O)[C@H](C)N1C[C@@H](C)S[C@@H](C)C1 ZINC000608502820 351448208 /nfs/dbraw/zinc/44/82/08/351448208.db2.gz CGMNGSVYNIYZQJ-MJBXVCDLSA-N 0 1 284.469 2.625 20 30 CFEDMN CC(C)[C@@H](C#N)N1CCN(CCCc2ccccc2)CC1 ZINC000609486710 351503276 /nfs/dbraw/zinc/50/32/76/351503276.db2.gz PRSRWJPXZLHXPM-GOSISDBHSA-N 0 1 285.435 2.785 20 30 CFEDMN C[C@@H](C(=O)N=c1[nH]n(C(C)(C)C)cc1C#N)C1CCCC1 ZINC000610550561 351581093 /nfs/dbraw/zinc/58/10/93/351581093.db2.gz VLOSPEFWMWWGQS-LLVKDONJSA-N 0 1 288.395 2.696 20 30 CFEDMN CC[C@H](C)NC(=O)[C@@H](C)N[C@H](C)c1cccc(C#N)c1 ZINC000610346056 351557122 /nfs/dbraw/zinc/55/71/22/351557122.db2.gz JFNDFXPTXZDSLJ-YNEHKIRRSA-N 0 1 273.380 2.512 20 30 CFEDMN Cc1cc(NC(=O)[C@@H](C)N[C@H](C)c2cccc(C#N)c2)on1 ZINC000610345857 351557155 /nfs/dbraw/zinc/55/71/55/351557155.db2.gz AJSWXGYHUANTBU-VXGBXAGGSA-N 0 1 298.346 2.533 20 30 CFEDMN Cc1cc(NC(=O)[C@H](C)N[C@H](C)c2cccc(C#N)c2)on1 ZINC000610345854 351557214 /nfs/dbraw/zinc/55/72/14/351557214.db2.gz AJSWXGYHUANTBU-NEPJUHHUSA-N 0 1 298.346 2.533 20 30 CFEDMN C[C@@H](NC(=O)c1n[nH]c2ccccc21)c1cccc(C#N)c1 ZINC000610361429 351559788 /nfs/dbraw/zinc/55/97/88/351559788.db2.gz DHPQCXJBOZBGSR-LLVKDONJSA-N 0 1 290.326 2.926 20 30 CFEDMN N#Cc1cccc(NC(=O)CN2C3CCCC2CCC3)c1 ZINC000610395049 351562353 /nfs/dbraw/zinc/56/23/53/351562353.db2.gz SEZPCGJIEVKUEG-UHFFFAOYSA-N 0 1 283.375 2.904 20 30 CFEDMN CC[C@@H](O)CN(Cc1ccccc1)Cc1ccnc(C#N)c1 ZINC000610995177 351632678 /nfs/dbraw/zinc/63/26/78/351632678.db2.gz TVLQKNKVWLTXBU-GOSISDBHSA-N 0 1 295.386 2.726 20 30 CFEDMN COc1ccc(C[N@H+]2CC[C@@H](C(F)F)C2)cc1C#N ZINC000611179342 351648694 /nfs/dbraw/zinc/64/86/94/351648694.db2.gz AWQFPBDVRULNMW-LLVKDONJSA-N 0 1 266.291 2.654 20 30 CFEDMN COc1ccc(CN2CC[C@@H](C(F)F)C2)cc1C#N ZINC000611179342 351648697 /nfs/dbraw/zinc/64/86/97/351648697.db2.gz AWQFPBDVRULNMW-LLVKDONJSA-N 0 1 266.291 2.654 20 30 CFEDMN N#Cc1ccsc1C(=O)Nc1c(O)cccc1F ZINC000611218359 351652338 /nfs/dbraw/zinc/65/23/38/351652338.db2.gz CGXUNHZHOPKXSA-UHFFFAOYSA-N 0 1 262.265 2.717 20 30 CFEDMN CN(CCOC(C)(C)C)Cc1ccc(C#N)s1 ZINC000611274724 351662399 /nfs/dbraw/zinc/66/23/99/351662399.db2.gz NRBQTUKKCVPYLG-UHFFFAOYSA-N 0 1 252.383 2.867 20 30 CFEDMN CN(Cc1cn[nH]c1)Cc1ccccc1C(C)(C)C#N ZINC000610859299 351615571 /nfs/dbraw/zinc/61/55/71/351615571.db2.gz GUEPBAQZHKPWGD-UHFFFAOYSA-N 0 1 268.364 2.843 20 30 CFEDMN COC(=O)C[C@@H]1CCCCN1CC#Cc1ccc(F)cc1 ZINC000610953316 351624331 /nfs/dbraw/zinc/62/43/31/351624331.db2.gz MXVQOYZBWHCQIP-INIZCTEOSA-N 0 1 289.350 2.595 20 30 CFEDMN CC(C)(C)c1n[nH]c(SCc2ccnc(C#N)c2)n1 ZINC000610957139 351625395 /nfs/dbraw/zinc/62/53/95/351625395.db2.gz XASJPHPUJZIQGY-UHFFFAOYSA-N 0 1 273.365 2.661 20 30 CFEDMN CC(C)(C)c1nc(SCc2ccnc(C#N)c2)n[nH]1 ZINC000610957139 351625398 /nfs/dbraw/zinc/62/53/98/351625398.db2.gz XASJPHPUJZIQGY-UHFFFAOYSA-N 0 1 273.365 2.661 20 30 CFEDMN CC(C)CN(C(=O)CN[C@H](C)c1cccc(C#N)c1)C1CC1 ZINC000611387261 351677967 /nfs/dbraw/zinc/67/79/67/351677967.db2.gz IUFIIMNQWLGRCI-CQSZACIVSA-N 0 1 299.418 2.856 20 30 CFEDMN C[C@H](NCC(=O)N1C[C@H](C)C[C@@H](C)C1)c1cccc(C#N)c1 ZINC000611386252 351678005 /nfs/dbraw/zinc/67/80/05/351678005.db2.gz HCOHWOPBBRWYJK-KFWWJZLASA-N 0 1 299.418 2.713 20 30 CFEDMN C[C@H](NCC(=O)Nc1ccccc1F)c1cccc(C#N)c1 ZINC000611387179 351678215 /nfs/dbraw/zinc/67/82/15/351678215.db2.gz GKEURTQEDIWOET-LBPRGKRZSA-N 0 1 297.333 2.987 20 30 CFEDMN C[C@@H](NCC(=O)N1C[C@H](C)C[C@@H](C)C1)c1cccc(C#N)c1 ZINC000611386254 351678522 /nfs/dbraw/zinc/67/85/22/351678522.db2.gz HCOHWOPBBRWYJK-RBSFLKMASA-N 0 1 299.418 2.713 20 30 CFEDMN Cn1cc([C@H](NCc2ccnc(C#N)c2)C(C)(C)C)cn1 ZINC000611404269 351682853 /nfs/dbraw/zinc/68/28/53/351682853.db2.gz OZXRPKSXUFNJTR-HNNXBMFYSA-N 0 1 283.379 2.564 20 30 CFEDMN N#Cc1cc(CN2CC[C@H](COc3ccccc3)C2)ccn1 ZINC000611554882 351707503 /nfs/dbraw/zinc/70/75/03/351707503.db2.gz XJRCOYFJWHKKJV-INIZCTEOSA-N 0 1 293.370 2.854 20 30 CFEDMN COC(=O)C(C)(C)[C@H]1CCCN(Cc2ccc(C#N)o2)C1 ZINC000611532249 351705186 /nfs/dbraw/zinc/70/51/86/351705186.db2.gz SBWPLQQUOLXKLK-LBPRGKRZSA-N 0 1 290.363 2.562 20 30 CFEDMN C=CCN(Cc1cccc([N+](=O)[O-])c1)[C@@H]1CCCOC1 ZINC000611290090 351664509 /nfs/dbraw/zinc/66/45/09/351664509.db2.gz RCNWDRHAGNATJO-OAHLLOKOSA-N 0 1 276.336 2.762 20 30 CFEDMN N#Cc1cccc(CN(CCO)CCc2ccccc2)c1F ZINC000611371790 351676008 /nfs/dbraw/zinc/67/60/08/351676008.db2.gz UFMVKLSYTKNWHA-UHFFFAOYSA-N 0 1 298.361 2.734 20 30 CFEDMN N#Cc1ccccc1OCCN1CCC[C@H](OC(F)F)C1 ZINC000611579576 351712009 /nfs/dbraw/zinc/71/20/09/351712009.db2.gz LMIYFKWBMXUQHW-ZDUSSCGKSA-N 0 1 296.317 2.641 20 30 CFEDMN Cc1ccnc(Nc2cnn(-c3ccncc3)c2)c1C#N ZINC000612075640 351770047 /nfs/dbraw/zinc/77/00/47/351770047.db2.gz BQUYOKJTINROCY-UHFFFAOYSA-N 0 1 276.303 2.586 20 30 CFEDMN CN(C)c1ccnc(NC(=O)CCc2ccc(C#N)cc2)c1 ZINC000612345348 351806543 /nfs/dbraw/zinc/80/65/43/351806543.db2.gz FVZTVFRDHYJIJR-UHFFFAOYSA-N 0 1 294.358 2.591 20 30 CFEDMN C[C@H](C(=O)Nc1ccccc1C#N)N1CCC2(CCC2)C1 ZINC000123640169 187102344 /nfs/dbraw/zinc/10/23/44/187102344.db2.gz QGSQPWSKNFZTGH-CYBMUJFWSA-N 0 1 283.375 2.761 20 30 CFEDMN N#CCc1ccnc(NCc2[nH]nc3ccccc32)c1 ZINC000613443184 351960956 /nfs/dbraw/zinc/96/09/56/351960956.db2.gz DRSWIJHPYCLZHC-UHFFFAOYSA-N 0 1 263.304 2.636 20 30 CFEDMN C=CCNC(=O)CN1CCC[C@H](c2cc3ccccc3[nH]2)C1 ZINC000613734474 352003910 /nfs/dbraw/zinc/00/39/10/352003910.db2.gz NWOFPHHFKZDIBF-HNNXBMFYSA-N 0 1 297.402 2.650 20 30 CFEDMN CNC(=O)[C@@H]1CCCCN1Cc1ccc(C(C)(C)C#N)cc1 ZINC000614166296 352055440 /nfs/dbraw/zinc/05/54/40/352055440.db2.gz AADCRXWWWLHIBZ-INIZCTEOSA-N 0 1 299.418 2.588 20 30 CFEDMN C=CC[C@H](C(=O)N1CCC2(CN(C)C2)C1)c1ccccc1 ZINC000614038158 352039767 /nfs/dbraw/zinc/03/97/67/352039767.db2.gz LZNUHEWUNCPETM-INIZCTEOSA-N 0 1 284.403 2.510 20 30 CFEDMN COC(=O)c1cccc(CN2CC[C@@H]3CCC[C@H]32)c1C#N ZINC000614600750 352106773 /nfs/dbraw/zinc/10/67/73/352106773.db2.gz JIVKRBPPLIQWPU-BLLLJJGKSA-N 0 1 284.359 2.719 20 30 CFEDMN COC(=O)[C@@H]1[C@@H]2CCC[C@H]2CN1Cc1ccc(CC#N)cc1 ZINC000615633127 352221759 /nfs/dbraw/zinc/22/17/59/352221759.db2.gz RPMUSORJTDOBNH-BBWFWOEESA-N 0 1 298.386 2.526 20 30 CFEDMN C=C(Cl)CN[C@H](C)CC(=O)Nc1cccnc1Cl ZINC000271511652 191183306 /nfs/dbraw/zinc/18/33/06/191183306.db2.gz OTMJJTGOGPPNCF-SECBINFHSA-N 0 1 288.178 2.794 20 30 CFEDMN C=C(Cl)CN[C@H](C)c1ccc2c(c1)CC(=O)N2C ZINC000271541384 191202528 /nfs/dbraw/zinc/20/25/28/191202528.db2.gz UHDZGNYHAXPCFC-SNVBAGLBSA-N 0 1 264.756 2.609 20 30 CFEDMN C=CC[C@@H]1CCCC[C@H]1NC(=O)CN(C)[C@@H]1CCSC1 ZINC000617041642 352476153 /nfs/dbraw/zinc/47/61/53/352476153.db2.gz GYYBZWHVIHTRGV-RBSFLKMASA-N 0 1 296.480 2.675 20 30 CFEDMN C=CCN(C(=O)c1cc(-c2ccccc2)[nH]n1)[C@H](C)COC ZINC000617575783 352594229 /nfs/dbraw/zinc/59/42/29/352594229.db2.gz DXKCJDFKXIRVAR-CYBMUJFWSA-N 0 1 299.374 2.740 20 30 CFEDMN C=CCCNC(=O)c1cccc(C(F)(F)F)c1O ZINC000617611456 352603337 /nfs/dbraw/zinc/60/33/37/352603337.db2.gz ZFIBRXQPKOWDNM-UHFFFAOYSA-N 0 1 259.227 2.717 20 30 CFEDMN C=CC[C@@H]1CCCN(C(=O)c2cnccc2N(C)C)C1 ZINC000617781317 352643823 /nfs/dbraw/zinc/64/38/23/352643823.db2.gz JYLIEYUCUOZBQO-CYBMUJFWSA-N 0 1 273.380 2.576 20 30 CFEDMN C=CC[C@H]1CCCN(C(=O)c2cccc3n[nH]cc32)C1 ZINC000617787319 352647291 /nfs/dbraw/zinc/64/72/91/352647291.db2.gz LVEUZAQNFITUEQ-LBPRGKRZSA-N 0 1 269.348 2.991 20 30 CFEDMN C=C(Br)CN1CCC(c2cc(C)n[nH]2)CC1 ZINC000271602809 191234721 /nfs/dbraw/zinc/23/47/21/191234721.db2.gz IPMYZWDRAVQJGY-UHFFFAOYSA-N 0 1 284.201 2.806 20 30 CFEDMN CCc1ccccc1CCN1CCN([C@H](C#N)C(C)C)CC1 ZINC000618289750 352748971 /nfs/dbraw/zinc/74/89/71/352748971.db2.gz YUIZOPJCPSKFTO-LJQANCHMSA-N 0 1 299.462 2.957 20 30 CFEDMN Cn1nc(CN[C@@H]2CCC[C@H](C#N)C2)c2ccccc21 ZINC000618575461 352816520 /nfs/dbraw/zinc/81/65/20/352816520.db2.gz GXOWQRNAQMSGDQ-QWHCGFSZSA-N 0 1 268.364 2.745 20 30 CFEDMN COC(=O)c1cccc(CN[C@H](C)c2cccc(C#N)c2)n1 ZINC000618540384 352805090 /nfs/dbraw/zinc/80/50/90/352805090.db2.gz YVMINNFIYWWDQB-GFCCVEGCSA-N 0 1 295.342 2.591 20 30 CFEDMN CCc1nn(C)cc1CN[C@H]1CCc2cc(C#N)ccc21 ZINC000618742756 352876064 /nfs/dbraw/zinc/87/60/64/352876064.db2.gz RHLQDWVBMLGTSZ-KRWDZBQOSA-N 0 1 280.375 2.631 20 30 CFEDMN CCN(Cc1n[nH]c(C)n1)[C@H](C)c1ccc(C#N)cc1 ZINC000292262202 198222091 /nfs/dbraw/zinc/22/20/91/198222091.db2.gz VTKSMXIAAKUDES-LLVKDONJSA-N 0 1 269.352 2.568 20 30 CFEDMN C=C[C@@H](Sc1nc(CCC2CCCC2)n[nH]1)C(=O)OC ZINC000619689091 353049955 /nfs/dbraw/zinc/04/99/55/353049955.db2.gz ZVOQDTYUHYKVNB-LLVKDONJSA-N 0 1 295.408 2.747 20 30 CFEDMN C=C[C@@H](Sc1n[nH]c(CCC2CCCC2)n1)C(=O)OC ZINC000619689091 353049957 /nfs/dbraw/zinc/04/99/57/353049957.db2.gz ZVOQDTYUHYKVNB-LLVKDONJSA-N 0 1 295.408 2.747 20 30 CFEDMN CC(C)OC[C@@H](C)NCc1ccc(C#N)cc1F ZINC000619715261 353056540 /nfs/dbraw/zinc/05/65/40/353056540.db2.gz JVJZFLOSJGNWHQ-LLVKDONJSA-N 0 1 250.317 2.600 20 30 CFEDMN N#Cc1ccc([C@@H](O)CN2CCc3c(F)cccc3C2)cc1 ZINC000152767283 188043099 /nfs/dbraw/zinc/04/30/99/188043099.db2.gz WRKMQKGFKZARTI-SFHVURJKSA-N 0 1 296.345 2.789 20 30 CFEDMN C=C1C[C@H]2CC[C@@H](C1)N2C(=O)c1cccc2[nH]cnc21 ZINC000620306281 353149813 /nfs/dbraw/zinc/14/98/13/353149813.db2.gz CLUJHWPHBXEAOO-TXEJJXNPSA-N 0 1 267.332 2.886 20 30 CFEDMN C=C1C[C@H]2CC[C@@H](C1)N2C(=O)c1cccc2c[nH]nc21 ZINC000620313752 353150417 /nfs/dbraw/zinc/15/04/17/353150417.db2.gz BOPCGXAIMZLOCP-BETUJISGSA-N 0 1 267.332 2.886 20 30 CFEDMN C=CCCCN(C)C(=O)c1cccc(-c2nnc[nH]2)c1 ZINC000153346171 188077126 /nfs/dbraw/zinc/07/71/26/188077126.db2.gz NYTRTCRWGLSILK-UHFFFAOYSA-N 0 1 270.336 2.510 20 30 CFEDMN CC[C@@H](C(=O)Nc1ccc(OC(C)C)c(C#N)c1)N(C)C ZINC000154007587 188116788 /nfs/dbraw/zinc/11/67/88/188116788.db2.gz SNTHWORFUHOUDI-AWEZNQCLSA-N 0 1 289.379 2.624 20 30 CFEDMN CCOC[C@@H]1CCCN(CC#Cc2ccc(F)cc2)C1 ZINC000154789616 188161164 /nfs/dbraw/zinc/16/11/64/188161164.db2.gz WRZDIODRHCJYIJ-MRXNPFEDSA-N 0 1 275.367 2.926 20 30 CFEDMN CCc1nc([C@@H](C)Nc2nc(C)c(C#N)cc2Cl)n[nH]1 ZINC000292563474 198334208 /nfs/dbraw/zinc/33/42/08/198334208.db2.gz JVBYBGVTZFZEIY-MRVPVSSYSA-N 0 1 290.758 2.769 20 30 CFEDMN Cc1nc(N2CCN(CCCCC#N)CC2)sc1C ZINC000157640840 188329882 /nfs/dbraw/zinc/32/98/82/188329882.db2.gz DSVVVCBIKGGLIN-UHFFFAOYSA-N 0 1 278.425 2.576 20 30 CFEDMN C[C@@H]1CCN(CC#Cc2cccc(Cl)c2)C[C@@H]1CO ZINC000621370181 353340281 /nfs/dbraw/zinc/34/02/81/353340281.db2.gz DDMRRJSYGYBSQW-UKRRQHHQSA-N 0 1 277.795 2.642 20 30 CFEDMN CCCN(CC#N)C(=O)c1cc(C2CCCCC2)[nH]n1 ZINC000158095641 188356296 /nfs/dbraw/zinc/35/62/96/188356296.db2.gz QRQMRVQRPUKCHS-UHFFFAOYSA-N 0 1 274.368 2.833 20 30 CFEDMN C#CC[C@H](NCC(=O)N1C[C@H](C)C[C@@H](C)C1)c1ccccc1 ZINC000271693670 191279300 /nfs/dbraw/zinc/27/93/00/191279300.db2.gz LAYLUHOGNKSMMO-NUJGCVRESA-N 0 1 298.430 2.845 20 30 CFEDMN C[C@H](NCC(=O)NCc1cccs1)c1ccc(C#N)cc1 ZINC000271694808 191280499 /nfs/dbraw/zinc/28/04/99/191280499.db2.gz SFAPZQVLAJKNQR-LBPRGKRZSA-N 0 1 299.399 2.587 20 30 CFEDMN C=CCOc1ccccc1CNC(=O)C(C)(C)c1cnc[nH]1 ZINC000621864982 353434915 /nfs/dbraw/zinc/43/49/15/353434915.db2.gz VPIRRMKRVVCCHX-UHFFFAOYSA-N 0 1 299.374 2.569 20 30 CFEDMN N#Cc1ccc(F)cc1CN1CC[C@H](O)C12CCCC2 ZINC000292740190 198395492 /nfs/dbraw/zinc/39/54/92/198395492.db2.gz NDJYXFYJMWDUNN-HNNXBMFYSA-N 0 1 274.339 2.577 20 30 CFEDMN C=C(C)CN(Cc1n[nH]c(C)n1)Cc1ccccc1 ZINC000292723870 198389506 /nfs/dbraw/zinc/38/95/06/198389506.db2.gz FZBFOGHLYOPFOA-UHFFFAOYSA-N 0 1 256.353 2.691 20 30 CFEDMN C=CC[C@@H]1CCCN(C(=O)[C@@H]2C[C@H](C)Cc3c[nH]nc32)C1 ZINC000623227564 353596980 /nfs/dbraw/zinc/59/69/80/353596980.db2.gz XOJLVRMOKNSZIW-UMVBOHGHSA-N 0 1 287.407 2.890 20 30 CFEDMN C=C(C)COCCN=c1nc(-c2ccccc2C)[nH]s1 ZINC000624038837 353791027 /nfs/dbraw/zinc/79/10/27/353791027.db2.gz SIQHQGXZRPKJEX-UHFFFAOYSA-N 0 1 289.404 2.940 20 30 CFEDMN C=CCCN(C)CC(=O)c1c[nH]c2ccc(F)cc12 ZINC000625366562 354034495 /nfs/dbraw/zinc/03/44/95/354034495.db2.gz ZYVDVCIIECGPEI-UHFFFAOYSA-N 0 1 260.312 2.998 20 30 CFEDMN C=CC[C@H]1CC[N@@H+](CC(=O)NC2CCCCCC2)C1 ZINC000625699418 354088480 /nfs/dbraw/zinc/08/84/80/354088480.db2.gz DUVSSKPIPSLEAO-AWEZNQCLSA-N 0 1 264.413 2.723 20 30 CFEDMN C=CC[C@@H]1CCN(Cc2nnc(-c3ccco3)o2)C1 ZINC000625700325 354089407 /nfs/dbraw/zinc/08/94/07/354089407.db2.gz KPNZISPGKRGNPX-LLVKDONJSA-N 0 1 259.309 2.728 20 30 CFEDMN C=CCNC(=O)CN1CCC(c2ccc(CC)cc2)CC1 ZINC000626085352 354188995 /nfs/dbraw/zinc/18/89/95/354188995.db2.gz KACJJPKKCAQIMU-UHFFFAOYSA-N 0 1 286.419 2.731 20 30 CFEDMN C#CC[C@H](NCC(=O)N(CC(C)C)C1CC1)c1ccccc1 ZINC000271731954 191296745 /nfs/dbraw/zinc/29/67/45/191296745.db2.gz SNFNGGWCAJQOKQ-SFHVURJKSA-N 0 1 298.430 2.988 20 30 CFEDMN C=CC[N@H+](C[C@@H]1CCCC[C@H]1CC)[C@H]1CCS(=O)(=O)C1 ZINC000628152094 354449049 /nfs/dbraw/zinc/44/90/49/354449049.db2.gz LTIRYFVCJIECCK-PMPSAXMXSA-N 0 1 299.480 2.878 20 30 CFEDMN C=CCN(C[C@@H]1CCCC[C@H]1CC)[C@H]1CCS(=O)(=O)C1 ZINC000628152094 354449050 /nfs/dbraw/zinc/44/90/50/354449050.db2.gz LTIRYFVCJIECCK-PMPSAXMXSA-N 0 1 299.480 2.878 20 30 CFEDMN C=CC[C@@H]1CCN(C(=O)c2cc(C)cc3c[nH]nc32)C1 ZINC000628486433 354603864 /nfs/dbraw/zinc/60/38/64/354603864.db2.gz IHOFGKRNDMYVPB-GFCCVEGCSA-N 0 1 269.348 2.910 20 30 CFEDMN C#CC[C@@H](NCC(=O)N(CC=C)CC=C)c1ccccc1 ZINC000271759856 191309740 /nfs/dbraw/zinc/30/97/40/191309740.db2.gz ZKJIMNURYFIPLO-QGZVFWFLSA-N 0 1 282.387 2.541 20 30 CFEDMN C=CCOc1ccc(C[N@H+]2CC[C@@H](C(=O)[O-])[C@H](C)C2)cc1 ZINC000629772851 354927985 /nfs/dbraw/zinc/92/79/85/354927985.db2.gz YEVMIIKYVLEUBK-CZUORRHYSA-N 0 1 289.375 2.794 20 30 CFEDMN C=CC[C@@H](Cc1ccccc1)NC(=O)CN(C)C1CCC1 ZINC000630007362 354981723 /nfs/dbraw/zinc/98/17/23/354981723.db2.gz GKTGZZYGCYVNNS-INIZCTEOSA-N 0 1 286.419 2.774 20 30 CFEDMN C=CCOCCNCc1cc2ccccc2nc1OC ZINC000679485611 540065118 /nfs/dbraw/zinc/06/51/18/540065118.db2.gz JDGFCQVROHYIAS-UHFFFAOYSA-N 0 1 272.348 2.536 20 30 CFEDMN C=C1CC(C)(C(=O)NCCN2CCc3ccccc3C2)C1 ZINC000630691312 355148580 /nfs/dbraw/zinc/14/85/80/355148580.db2.gz QHFUTZRZWGKPTH-UHFFFAOYSA-N 0 1 284.403 2.517 20 30 CFEDMN C=CCN(CC1CCCCC1)C(=O)Cc1ccn[nH]1 ZINC000173439677 188854727 /nfs/dbraw/zinc/85/47/27/188854727.db2.gz QOIMVDSEPICVSF-UHFFFAOYSA-N 0 1 261.369 2.547 20 30 CFEDMN C=CCC[C@@H](NC1CN(c2ccncn2)C1)c1ccco1 ZINC000631748021 355573867 /nfs/dbraw/zinc/57/38/67/355573867.db2.gz VIWNQXXKPQKQMU-CQSZACIVSA-N 0 1 284.363 2.555 20 30 CFEDMN C=C1CC(C)(C(=O)N[C@H](C)c2n[nH]c([C@@H](C)CC)n2)C1 ZINC000632753527 355737763 /nfs/dbraw/zinc/73/77/63/355737763.db2.gz HQSMWUUHEOJDQP-WDEREUQCSA-N 0 1 276.384 2.852 20 30 CFEDMN N#Cc1ccccc1CN1CCC(CCCO)CC1 ZINC000272987253 192010036 /nfs/dbraw/zinc/01/00/36/192010036.db2.gz RGKWZZNMWBLOJX-UHFFFAOYSA-N 0 1 258.365 2.543 20 30 CFEDMN C=CC[C@@H](C(=O)NCc1n[nH]c(C(C)C)n1)c1ccccc1 ZINC000295846308 199690025 /nfs/dbraw/zinc/69/00/25/199690025.db2.gz VYNNPNFPEZXDAH-CQSZACIVSA-N 0 1 298.390 2.904 20 30 CFEDMN N#Cc1ccc2c(c1)CCC[C@@H]2Nc1ncnc2[nH]cnc21 ZINC000419014918 283194094 /nfs/dbraw/zinc/19/40/94/283194094.db2.gz LHUDARQHUHCCRO-ZDUSSCGKSA-N 0 1 290.330 2.714 20 30 CFEDMN C=CCOCCN1CCC(O)(c2ccccc2Cl)CC1 ZINC000294345431 199005945 /nfs/dbraw/zinc/00/59/45/199005945.db2.gz ZDEICIIVLJNJAS-UHFFFAOYSA-N 0 1 295.810 2.826 20 30 CFEDMN C#CCO[C@@H](C)C(=O)Nc1ccc2nc(C(C)(C)C)[nH]c2c1 ZINC000294535888 199076934 /nfs/dbraw/zinc/07/69/34/199076934.db2.gz USMCPYRFGVINLW-NSHDSACASA-N 0 1 299.374 2.837 20 30 CFEDMN C[C@H](CNc1cccc(Cl)c1C#N)CN1CCOCC1 ZINC000296952409 200044282 /nfs/dbraw/zinc/04/42/82/200044282.db2.gz CDKKPHWVVWXMIN-GFCCVEGCSA-N 0 1 293.798 2.592 20 30 CFEDMN N#Cc1ccc(CN(Cc2ccnc(N)c2)C2CC2)cc1 ZINC000297726058 200269073 /nfs/dbraw/zinc/26/90/73/200269073.db2.gz BSBVAFMXHWOGEU-UHFFFAOYSA-N 0 1 278.359 2.700 20 30 CFEDMN C[C@@H]1CCN(Cc2ccc(C#N)cc2F)C[C@@H]1n1ccnc1 ZINC000177906377 189078432 /nfs/dbraw/zinc/07/84/32/189078432.db2.gz AWHBDTVIPVHHCB-DYVFJYSZSA-N 0 1 298.365 2.977 20 30 CFEDMN C=C(Br)CN[C@H](CCCO)c1ccccc1 ZINC000179745625 189217606 /nfs/dbraw/zinc/21/76/06/189217606.db2.gz KHNVDHUBJNNZJK-CYBMUJFWSA-N 0 1 284.197 2.998 20 30 CFEDMN C=CCOc1ccc(CN(C)Cc2nnc[nH]2)cc1Cl ZINC000179790558 189220779 /nfs/dbraw/zinc/22/07/79/189220779.db2.gz PNRCHRUJLXWCAZ-UHFFFAOYSA-N 0 1 292.770 2.655 20 30 CFEDMN N#Cc1cnc2ccccc2c1NCCN1CCSCC1 ZINC000230905119 540995815 /nfs/dbraw/zinc/99/58/15/540995815.db2.gz TYFKVJBOESLMEA-UHFFFAOYSA-N 0 1 298.415 2.567 20 30 CFEDMN CCC#C[C@@H](C)N1CCC[C@@](O)(C(F)(F)F)CC1 ZINC000671724268 541060054 /nfs/dbraw/zinc/06/00/54/541060054.db2.gz VOVZJWSBUQNYTD-NEPJUHHUSA-N 0 1 263.303 2.568 20 30 CFEDMN COC(OC)c1c(C#N)ccnc1-c1ccc(F)c(O)c1 ZINC001243046726 781950615 /nfs/dbraw/zinc/95/06/15/781950615.db2.gz HLKDPWXIJGANKP-UHFFFAOYSA-N 0 1 288.278 2.756 20 30 CFEDMN N#Cc1ccc(S(=O)(=O)Nc2cccc(F)c2)cc1F ZINC000427123986 239285857 /nfs/dbraw/zinc/28/58/57/239285857.db2.gz MOVRQLLIHMHEKJ-UHFFFAOYSA-N 0 1 294.282 2.637 20 30 CFEDMN COCc1cccc(C=C(C)c2nc(C)c(C#N)c(=O)[nH]2)c1 ZINC000435336280 240303134 /nfs/dbraw/zinc/30/31/34/240303134.db2.gz NSOOOIKFSQSYAC-XFFZJAGNSA-N 0 1 295.342 2.657 20 30 CFEDMN C=CCC[C@@H](O)CN1CCC[C@@H]1c1nc2c([nH]1)CCCC2 ZINC000275517546 193064908 /nfs/dbraw/zinc/06/49/08/193064908.db2.gz BGUCFUFQMFMSOS-CZUORRHYSA-N 0 1 289.423 2.753 20 30 CFEDMN COc1cc(CN(C)Cc2cccn2C)ccc1C#N ZINC000442888255 241016577 /nfs/dbraw/zinc/01/65/77/241016577.db2.gz FVGJCMWNVWEAIY-UHFFFAOYSA-N 0 1 269.348 2.537 20 30 CFEDMN C=CCCCN(C)C(=O)c1c(C)n[nH]c1C(F)(F)F ZINC000673743550 541510760 /nfs/dbraw/zinc/51/07/60/541510760.db2.gz SVMWSNMGKRPUCA-UHFFFAOYSA-N 0 1 275.274 2.775 20 30 CFEDMN CO[C@H]1C[C@@H](N(C)Cc2ccccc2C#N)C12CCC2 ZINC000449627530 242075765 /nfs/dbraw/zinc/07/57/65/242075765.db2.gz ACKMVNPMVPRRGY-CVEARBPZSA-N 0 1 270.376 2.948 20 30 CFEDMN C=CCCN(C)C(=O)NCc1ccc(F)c(CN(C)C)c1 ZINC000276172418 193233921 /nfs/dbraw/zinc/23/39/21/193233921.db2.gz UELJNTZJQNXILW-UHFFFAOYSA-N 0 1 293.386 2.605 20 30 CFEDMN C=CCCN(C)CC(=O)Nc1ccc(Cl)cc1[N+](=O)[O-] ZINC000276383347 193309072 /nfs/dbraw/zinc/30/90/72/193309072.db2.gz IMQSUONKUCODGC-UHFFFAOYSA-N 0 1 297.742 2.695 20 30 CFEDMN COCC[C@H](NCc1cc(C#N)n(C)c1)c1ccc(C)o1 ZINC000276594710 193393832 /nfs/dbraw/zinc/39/38/32/193393832.db2.gz FEYZSVMYBODOOW-HNNXBMFYSA-N 0 1 287.363 2.666 20 30 CFEDMN C=C(C)[C@@H](CO)N(C)Cc1ccc(Br)s1 ZINC000677047519 541813669 /nfs/dbraw/zinc/81/36/69/541813669.db2.gz DAQNHZXRYNVPCH-SNVBAGLBSA-N 0 1 290.226 2.879 20 30 CFEDMN COCC#CCN(C)Cc1ccccc1C(F)(F)F ZINC000677132545 541825963 /nfs/dbraw/zinc/82/59/63/541825963.db2.gz DEUSGOGZRFXOLD-UHFFFAOYSA-N 0 1 271.282 2.787 20 30 CFEDMN COc1ccc(CN2CC3(CCC3)[C@H]3COC[C@@H]32)cc1C#N ZINC000459669862 245266738 /nfs/dbraw/zinc/26/67/38/245266738.db2.gz JMPYRNIVJSZEPJ-HOTGVXAUSA-N 0 1 298.386 2.568 20 30 CFEDMN N#Cc1cccc([N+](=O)[O-])c1CN[C@@H]1CCC[C@@H]2C[C@@H]21 ZINC000459780131 245321758 /nfs/dbraw/zinc/32/17/58/245321758.db2.gz MXSMTWGBDBMQSY-SCDSUCTJSA-N 0 1 271.320 2.745 20 30 CFEDMN C[C@@H]1C[C@@H]2CCCC[C@H]2N1Cc1ncc(C#N)cn1 ZINC000331925392 204301191 /nfs/dbraw/zinc/30/11/91/204301191.db2.gz HXFVGHTVNBMXAM-KWCYVHTRSA-N 0 1 256.353 2.501 20 30 CFEDMN C[C@@H](NCC(=O)Nc1sccc1C#N)c1ccccc1 ZINC000003566847 371810106 /nfs/dbraw/zinc/81/01/06/371810106.db2.gz BKHDRNVEQLLUGH-LLVKDONJSA-N 0 1 285.372 2.909 20 30 CFEDMN C=C(C)[C@@H](CO)[N@H+]1CCC[C@H](c2nc3ccccc3o2)C1 ZINC000677480201 541865885 /nfs/dbraw/zinc/86/58/85/541865885.db2.gz VEKRTFUMJXODOJ-DZGCQCFKSA-N 0 1 286.375 2.944 20 30 CFEDMN CCCCN(CC)CC(=O)Nc1ccc(C#N)cc1 ZINC000019846837 372200123 /nfs/dbraw/zinc/20/01/23/372200123.db2.gz ZMUBSSDRBSERIM-UHFFFAOYSA-N 0 1 259.353 2.619 20 30 CFEDMN Cc1ccc(CN(C)CCOc2ccc(C#N)cc2)o1 ZINC000035122343 372541305 /nfs/dbraw/zinc/54/13/05/372541305.db2.gz ZAPUVSYFCAAKOQ-UHFFFAOYSA-N 0 1 270.332 2.971 20 30 CFEDMN N#Cc1cccc(-c2nc(C3(N)CCCCC3)no2)c1 ZINC000041153461 372822190 /nfs/dbraw/zinc/82/21/90/372822190.db2.gz AYFILOIUCIANMF-UHFFFAOYSA-N 0 1 268.320 2.726 20 30 CFEDMN N#Cc1cc(F)ccc1CN1CC[C@@H]2C[C@@H](O)CC[C@@H]2C1 ZINC000451708446 383688119 /nfs/dbraw/zinc/68/81/19/383688119.db2.gz NXOMVXRXGFEGDR-XNJGSVPQSA-N 0 1 288.366 2.680 20 30 CFEDMN CC(=O)c1ccc(C#N)c(N2CCN(C)[C@@H](C(C)C)C2)c1 ZINC000487080594 245723022 /nfs/dbraw/zinc/72/30/22/245723022.db2.gz UAERAQRORVEKLK-QGZVFWFLSA-N 0 1 285.391 2.537 20 30 CFEDMN CCN(CCC(=O)Nc1ccc(F)cc1)C[C@H](C)C#N ZINC000049000684 373248544 /nfs/dbraw/zinc/24/85/44/373248544.db2.gz MQNLDZMXOYJSHV-GFCCVEGCSA-N 0 1 277.343 2.636 20 30 CFEDMN CCOCCN(CC)Cc1ccc(C#N)cc1F ZINC000061001492 373712002 /nfs/dbraw/zinc/71/20/02/373712002.db2.gz UFQGAZDLWKWTDK-UHFFFAOYSA-N 0 1 250.317 2.556 20 30 CFEDMN C#CCN(CCc1ccccn1)Cc1ccc(F)cc1 ZINC000065958515 373904521 /nfs/dbraw/zinc/90/45/21/373904521.db2.gz PJJUWSUSSHTLLT-UHFFFAOYSA-N 0 1 268.335 2.899 20 30 CFEDMN C#CCN1CCC(C(=O)N2CCC[C@@H]2C2CCCC2)CC1 ZINC000066921566 373962902 /nfs/dbraw/zinc/96/29/02/373962902.db2.gz MJQNWHLWXWZIQT-QGZVFWFLSA-N 0 1 288.435 2.513 20 30 CFEDMN O=C(Nc1nc(-c2ccccc2Cl)n[nH]1)[C@H]1CCOC1 ZINC000066918001 373963161 /nfs/dbraw/zinc/96/31/61/373963161.db2.gz KDOLEEXBDZZUCW-QMMMGPOBSA-N 0 1 292.726 2.750 20 30 CFEDMN C=CCNC(=O)CN1CCC[C@@H]1c1ccc(C)c(C)c1 ZINC000067984760 374019740 /nfs/dbraw/zinc/01/97/40/374019740.db2.gz VWTRZHRBOKSTPN-MRXNPFEDSA-N 0 1 272.392 2.743 20 30 CFEDMN COc1cccc(CN[C@@H](C)c2ccc(C#N)cc2)n1 ZINC000070093320 374125227 /nfs/dbraw/zinc/12/52/27/374125227.db2.gz NOFHNTZCWJAVKI-LBPRGKRZSA-N 0 1 267.332 2.813 20 30 CFEDMN C[C@H](C(=O)N(C)C1(C#N)CCC(C)CC1)N1CCCCC1 ZINC000073598354 374355146 /nfs/dbraw/zinc/35/51/46/374355146.db2.gz JIFAOUTVPFSBMK-ISXOHVOVSA-N 0 1 291.439 2.792 20 30 CFEDMN CCCCN(C)Cc1nnc(-c2ccc(C#N)cc2)o1 ZINC000075589817 374493832 /nfs/dbraw/zinc/49/38/32/374493832.db2.gz DOLNDVLSZNVOEZ-UHFFFAOYSA-N 0 1 270.336 2.840 20 30 CFEDMN CCN(Cc1nnc(-c2ccc(C#N)cc2)o1)CC1CC1 ZINC000075739316 374501621 /nfs/dbraw/zinc/50/16/21/374501621.db2.gz YPLXMWYKGQTUSB-UHFFFAOYSA-N 0 1 282.347 2.840 20 30 CFEDMN CCOC[C@@H]1CCN(Cc2cc(C#N)ccc2F)C1 ZINC000081521249 374703912 /nfs/dbraw/zinc/70/39/12/374703912.db2.gz BLANSLMFGYALMF-CYBMUJFWSA-N 0 1 262.328 2.556 20 30 CFEDMN COc1cccc(N2CCN(CCC(C)(C)C#N)CC2)c1 ZINC000087595109 374826299 /nfs/dbraw/zinc/82/62/99/374826299.db2.gz CJTWKLXQVNPZAG-UHFFFAOYSA-N 0 1 287.407 2.757 20 30 CFEDMN Cc1ncncc1[C@@H](C)NCc1ccc(C#N)c(F)c1 ZINC000571536421 383704518 /nfs/dbraw/zinc/70/45/18/383704518.db2.gz HTIUPZHXDHSNQJ-SNVBAGLBSA-N 0 1 270.311 2.647 20 30 CFEDMN C[C@H](NCc1cccc(C#N)c1)c1ccc(F)cn1 ZINC000092196147 375094766 /nfs/dbraw/zinc/09/47/66/375094766.db2.gz DJURHJYGFSGAAG-NSHDSACASA-N 0 1 255.296 2.943 20 30 CFEDMN C=CCOc1ccc(CN2CC[C@H](CO)C2)cc1Cl ZINC000092763145 375150297 /nfs/dbraw/zinc/15/02/97/375150297.db2.gz VHDGBGAZALKFPL-ZDUSSCGKSA-N 0 1 281.783 2.719 20 30 CFEDMN N#Cc1ccc2ncc(CN3CCC[C@H]4CCC[C@@H]43)n2c1 ZINC000092485562 375113352 /nfs/dbraw/zinc/11/33/52/375113352.db2.gz NGWDLZDILKQOCC-ZBFHGGJFSA-N 0 1 280.375 2.970 20 30 CFEDMN Cc1cc(C)n(CC2CCN(Cc3ccc(C#N)o3)CC2)n1 ZINC000093273523 375202510 /nfs/dbraw/zinc/20/25/10/375202510.db2.gz SDDPBMAYKWILAP-UHFFFAOYSA-N 0 1 298.390 2.877 20 30 CFEDMN C=CCCC(=O)Nc1ccc(N2CCN(C)CC2)cc1C ZINC000102219156 375666746 /nfs/dbraw/zinc/66/67/46/375666746.db2.gz OMJNAAYUNYADST-UHFFFAOYSA-N 0 1 287.407 2.652 20 30 CFEDMN C=CCCC[C@H](C)N1CCN(C(=O)c2cccn2C)CC1 ZINC000678714776 542060633 /nfs/dbraw/zinc/06/06/33/542060633.db2.gz OYJQKVWIBQSPBW-HNNXBMFYSA-N 0 1 289.423 2.528 20 30 CFEDMN N#Cc1ccc(CN2CCC(n3cccn3)CC2)c(F)c1 ZINC000109006643 375819556 /nfs/dbraw/zinc/81/95/56/375819556.db2.gz UETALKDYLWWXJM-UHFFFAOYSA-N 0 1 284.338 2.731 20 30 CFEDMN C=C(C)CN(CC)[C@@H]1CCN(c2ccccc2)C1=O ZINC000109818367 375823793 /nfs/dbraw/zinc/82/37/93/375823793.db2.gz ZDNAUIRSWVNKNK-OAHLLOKOSA-N 0 1 258.365 2.690 20 30 CFEDMN COCC#CCN[C@H](C)c1ccccc1OC(C)C ZINC000678746693 542064665 /nfs/dbraw/zinc/06/46/65/542064665.db2.gz ZDKSUCUYMOLICI-CQSZACIVSA-N 0 1 261.365 2.774 20 30 CFEDMN C[C@@H](C(=O)Nc1ccc(F)c(C#N)c1)N1CCCCCC1 ZINC000114264285 376056076 /nfs/dbraw/zinc/05/60/76/376056076.db2.gz NKDSOBIXTDQBRM-LBPRGKRZSA-N 0 1 289.354 2.900 20 30 CFEDMN COC(=O)C1CCN([C@@H](C)c2ccc(C#N)cc2)CC1 ZINC000118390504 376290640 /nfs/dbraw/zinc/29/06/40/376290640.db2.gz JCGONHQSGFTBPE-LBPRGKRZSA-N 0 1 272.348 2.504 20 30 CFEDMN C=CCCC[N@@H+]1CC[C@@](C(=O)[O-])(c2ccccc2)C1 ZINC000574645183 335036961 /nfs/dbraw/zinc/03/69/61/335036961.db2.gz TZKZOQQQVRYNRQ-INIZCTEOSA-N 0 1 259.349 2.681 20 30 CFEDMN C[C@@H](NCc1ccc(C#N)o1)c1ccc(-n2ccnn2)cc1 ZINC000119938125 376509088 /nfs/dbraw/zinc/50/90/88/376509088.db2.gz WLYYQJDLFMWLAG-GFCCVEGCSA-N 0 1 293.330 2.583 20 30 CFEDMN COCC1CCN(Cc2ccc(F)c(C#N)c2)CC1 ZINC000120828172 376701613 /nfs/dbraw/zinc/70/16/13/376701613.db2.gz OCQYQKLSRDTULM-UHFFFAOYSA-N 0 1 262.328 2.556 20 30 CFEDMN C[C@@H](c1ccc(C#N)cc1)N1CCCN(C(=O)C2CC2)CC1 ZINC000121261690 376793777 /nfs/dbraw/zinc/79/37/77/376793777.db2.gz TYRCAKKAPMZRRS-AWEZNQCLSA-N 0 1 297.402 2.564 20 30 CFEDMN C=CCN(C)[C@H](C)C(=O)N(Cc1ccccc1)C(C)C ZINC000121451436 376835430 /nfs/dbraw/zinc/83/54/30/376835430.db2.gz AVCFIGSOCZKKNQ-OAHLLOKOSA-N 0 1 274.408 2.930 20 30 CFEDMN C[S@@](=O)C[C@H](NCc1ccc(C#N)cc1)c1ccccc1 ZINC000121822747 376912665 /nfs/dbraw/zinc/91/26/65/376912665.db2.gz YNJCDFCTQBEKPD-UWJYYQICSA-N 0 1 298.411 2.768 20 30 CFEDMN CC(C)NC(=O)C(C#N)c1nc(-c2ccccc2)cs1 ZINC000122055951 376922856 /nfs/dbraw/zinc/92/28/56/376922856.db2.gz NRRPHQLZRYPFLD-GFCCVEGCSA-N 0 1 285.372 2.942 20 30 CFEDMN C=CCN(CCC1OCCO1)Cc1ccccc1F ZINC000123903286 376994264 /nfs/dbraw/zinc/99/42/64/376994264.db2.gz LKMUHKVGKDVKRV-UHFFFAOYSA-N 0 1 265.328 2.577 20 30 CFEDMN C=CCN(CC=C)C(=O)[C@@H](C)N(C)Cc1ccccc1 ZINC000125757653 377190075 /nfs/dbraw/zinc/19/00/75/377190075.db2.gz KDWRGWUNFNJQGL-OAHLLOKOSA-N 0 1 272.392 2.708 20 30 CFEDMN COc1ccc(C#N)cc1CN1CCS[C@@H](C)[C@@H]1C ZINC000125245912 377133001 /nfs/dbraw/zinc/13/30/01/377133001.db2.gz HAGGXENIVFABFW-RYUDHWBXSA-N 0 1 276.405 2.893 20 30 CFEDMN C=C(C)CN(CC)[C@H](C)C(=O)NCc1ccccc1C ZINC000125938288 377203886 /nfs/dbraw/zinc/20/38/86/377203886.db2.gz JBVWEQKZRQNRCT-OAHLLOKOSA-N 0 1 274.408 2.898 20 30 CFEDMN C=CCOc1ccccc1CN(C)C[C@@H]1CCCO1 ZINC000128041757 377314407 /nfs/dbraw/zinc/31/44/07/377314407.db2.gz ABQUVTSZHZBMFA-HNNXBMFYSA-N 0 1 261.365 2.862 20 30 CFEDMN CC(C)(C)C(=O)N1CCN(CC(C)(C)CCC#N)CC1 ZINC000128358206 377332810 /nfs/dbraw/zinc/33/28/10/377332810.db2.gz UDGMSEKFTXALDZ-UHFFFAOYSA-N 0 1 279.428 2.507 20 30 CFEDMN CC(C)OC(=O)[C@H](C)N(C)CCCC(C)(C)C#N ZINC000129836662 377478772 /nfs/dbraw/zinc/47/87/72/377478772.db2.gz KWWHTQUSDLAOBY-LBPRGKRZSA-N 0 1 254.374 2.588 20 30 CFEDMN N#CCCCN(Cc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000130358375 377542233 /nfs/dbraw/zinc/54/22/33/377542233.db2.gz XXZXOOXYQBWBJY-UHFFFAOYSA-N 0 1 259.309 2.863 20 30 CFEDMN CN(CCC(=O)OC(C)(C)C)Cc1ccc(C#N)s1 ZINC000131261362 377684359 /nfs/dbraw/zinc/68/43/59/377684359.db2.gz UHBSPRXOQKYSJX-UHFFFAOYSA-N 0 1 280.393 2.783 20 30 CFEDMN CCN(Cc1ccc(C#N)s1)C[C@@H]1CCCO1 ZINC000131788031 377759427 /nfs/dbraw/zinc/75/94/27/377759427.db2.gz XFDNKSJSTMDCIZ-NSHDSACASA-N 0 1 250.367 2.621 20 30 CFEDMN C=CCCN(CC)CC(=O)Nc1cccc(OC)c1 ZINC000132339529 377829801 /nfs/dbraw/zinc/82/98/01/377829801.db2.gz BTUWNRQGCMWBPC-UHFFFAOYSA-N 0 1 262.353 2.532 20 30 CFEDMN C[C@H]1C[C@H](Nc2ncc(C#N)cc2Cl)CN1C1CC1 ZINC000133513676 377935587 /nfs/dbraw/zinc/93/55/87/377935587.db2.gz WPHBHQLMPKZEJY-ONGXEEELSA-N 0 1 276.771 2.644 20 30 CFEDMN C[N@H+]1CCC[C@@H](CNc2c(F)cc(C#N)cc2F)C1 ZINC000133606337 377943747 /nfs/dbraw/zinc/94/37/47/377943747.db2.gz DEIVBMAZNWMTNK-JTQLQIEISA-N 0 1 265.307 2.590 20 30 CFEDMN N#CCCCN1CCC[C@H](Oc2ccc(Cl)cn2)C1 ZINC000135335474 378120121 /nfs/dbraw/zinc/12/01/21/378120121.db2.gz PTVCGBFIMISAIL-ZDUSSCGKSA-N 0 1 279.771 2.882 20 30 CFEDMN Cc1oc(NC(=O)[C@@H](C)N(C)CCC2CC2)c(C#N)c1C ZINC000135273087 378108933 /nfs/dbraw/zinc/10/89/33/378108933.db2.gz GEYNZDSDPSRTOJ-LLVKDONJSA-N 0 1 289.379 2.827 20 30 CFEDMN C=CCCCCCN(C)Cc1cn2cccnc2n1 ZINC000150893550 378278613 /nfs/dbraw/zinc/27/86/13/378278613.db2.gz ZPYYGFJPWPUUNK-UHFFFAOYSA-N 0 1 258.369 2.908 20 30 CFEDMN COc1cccc([C@@H](C)NCc2ccnc(C#N)c2)c1 ZINC000148260147 378256159 /nfs/dbraw/zinc/25/61/59/378256159.db2.gz SBNHRLUBFJMPQQ-GFCCVEGCSA-N 0 1 267.332 2.813 20 30 CFEDMN CC[C@@H](NCc1cccc(C#N)c1)c1cnn(C)c1 ZINC000151369365 378320234 /nfs/dbraw/zinc/32/02/34/378320234.db2.gz YWMCKDWWXOEGBE-OAHLLOKOSA-N 0 1 254.337 2.533 20 30 CFEDMN C[C@@H]1C[C@H](C)[C@H](C(=O)Nc2cccc(-c3cn[nH]n3)c2)O1 ZINC000328691657 378416598 /nfs/dbraw/zinc/41/65/98/378416598.db2.gz DZZWRXDHUGYDKF-IMSIIYSGSA-N 0 1 286.335 2.873 20 30 CFEDMN C[C@@H]1C[C@H](C(=O)N[C@H]2CCCc3cn[nH]c32)CCC1=O ZINC000328937214 378442938 /nfs/dbraw/zinc/44/29/38/378442938.db2.gz JSYJYKUBKTYRMC-FOGDFJRCSA-N 0 1 275.352 2.749 20 30 CFEDMN CCc1nc([C@@H](C)NC(=O)NC2CCCCCC2)n[nH]1 ZINC000328956814 378444908 /nfs/dbraw/zinc/44/49/08/378444908.db2.gz ZKAGGLGXHPXJEO-SNVBAGLBSA-N 0 1 279.388 2.655 20 30 CFEDMN C[C@@H](Cn1cccn1)NC([O-])=[NH+]c1cnc2c(c1)CCCC2 ZINC000329362079 378457351 /nfs/dbraw/zinc/45/73/51/378457351.db2.gz CTULXZDGYJTNSB-LBPRGKRZSA-N 0 1 299.378 2.572 20 30 CFEDMN CC1(C)CCC[C@@H]1C(=O)NC1(c2nnc[nH]2)CCC1 ZINC000329357275 378458273 /nfs/dbraw/zinc/45/82/73/378458273.db2.gz WNNVVGDBHOZLHS-SNVBAGLBSA-N 0 1 262.357 2.967 20 30 CFEDMN CCc1nnc(SCc2cc(C#N)ccc2OC)[nH]1 ZINC000152719617 378441320 /nfs/dbraw/zinc/44/13/20/378441320.db2.gz KSOUOHJDMWHXHV-UHFFFAOYSA-N 0 1 274.349 2.540 20 30 CFEDMN CCc1n[nH]c(SCc2cc(C#N)ccc2OC)n1 ZINC000152719617 378441326 /nfs/dbraw/zinc/44/13/26/378441326.db2.gz KSOUOHJDMWHXHV-UHFFFAOYSA-N 0 1 274.349 2.540 20 30 CFEDMN N#Cc1ccc(OC2CCN([C@@H]3CCCNC3=O)CC2)cc1 ZINC000330044035 378521350 /nfs/dbraw/zinc/52/13/50/378521350.db2.gz AOMNDQMNVYMVFE-MRXNPFEDSA-N 0 1 299.374 2.520 20 30 CFEDMN CC[C@@H]1C[C@H](C(=O)N[C@@H]2CCCc3cn[nH]c32)CC(=O)N1 ZINC000329691190 378482660 /nfs/dbraw/zinc/48/26/60/378482660.db2.gz WFTPAVGDEVIABZ-QJPTWQEYSA-N 0 1 290.367 2.889 20 30 CFEDMN Cc1noc2ncc(NC(=O)CN3[C@H](C)CC[C@H]3C)cc12 ZINC000329826661 378501698 /nfs/dbraw/zinc/50/16/98/378501698.db2.gz CLEGIFLYHHQUBT-NXEZZACHSA-N 0 1 288.351 2.992 20 30 CFEDMN C[C@H](CCC1CC1)[NH+]=C([O-])N1CCC[C@@H]1Cn1ccnc1 ZINC000329948399 378517219 /nfs/dbraw/zinc/51/72/19/378517219.db2.gz KROIJWFRJSDJPO-UKRRQHHQSA-N 0 1 290.411 2.840 20 30 CFEDMN C[C@@H](NCC(=O)NC1CCC(C)CC1)c1ccc(C#N)cc1 ZINC000330439566 378556765 /nfs/dbraw/zinc/55/67/65/378556765.db2.gz OYQAPUPZRYUXKO-XOYHFGRZSA-N 0 1 299.418 2.904 20 30 CFEDMN Cc1c(CNCc2cccc(OCCCC#N)c2)cnn1C ZINC000156527999 378641515 /nfs/dbraw/zinc/64/15/15/378641515.db2.gz BRMNEIABKJCMLG-UHFFFAOYSA-N 0 1 298.390 2.701 20 30 CFEDMN N#Cc1ccc(N2CCC[C@@H](N3CCCCC3)C2=O)cc1 ZINC000156159738 378636816 /nfs/dbraw/zinc/63/68/16/378636816.db2.gz FRMBGPFBFZHXMJ-MRXNPFEDSA-N 0 1 283.375 2.540 20 30 CFEDMN CC[NH+]1CCC(CCNC(=O)c2ncc(C)cc2[O-])CC1 ZINC000330667549 378596599 /nfs/dbraw/zinc/59/65/99/378596599.db2.gz TUEOVAGORXXAHV-UHFFFAOYSA-N 0 1 291.395 2.522 20 30 CFEDMN CC#CCCN1CCN(c2ccccc2OCC)CC1 ZINC000155036995 378608422 /nfs/dbraw/zinc/60/84/22/378608422.db2.gz SDTYPBSYOTYQKQ-UHFFFAOYSA-N 0 1 272.392 2.621 20 30 CFEDMN CC#CCN1CCC[C@H](Nc2cc(OC)cc(OC)c2)C1 ZINC000155179118 378615511 /nfs/dbraw/zinc/61/55/11/378615511.db2.gz FHTOWCUPSMDDGU-AWEZNQCLSA-N 0 1 288.391 2.603 20 30 CFEDMN Fc1ccc(C#CCN2CCC[C@@H](n3cccn3)C2)cc1 ZINC000158078252 378664520 /nfs/dbraw/zinc/66/45/20/378664520.db2.gz RHCVWXXPONQRHG-QGZVFWFLSA-N 0 1 283.350 2.711 20 30 CFEDMN N#Cc1cnc(CN2CCC[C@@H]3CCCC[C@H]32)nc1 ZINC000332213292 378736699 /nfs/dbraw/zinc/73/66/99/378736699.db2.gz JOVGYCFYRLEBMQ-UONOGXRCSA-N 0 1 256.353 2.503 20 30 CFEDMN C[C@@H](O)[C@@H]1CCCCN1Cc1cn2ccccc2c1C#N ZINC000264370444 383731508 /nfs/dbraw/zinc/73/15/08/383731508.db2.gz AVKFOLWSKDCCQT-CJNGLKHVSA-N 0 1 283.375 2.546 20 30 CFEDMN C[C@@H]1CC[C@@H](C)N1Cc1nnc(-c2cccc(C#N)c2)o1 ZINC000332125654 378728740 /nfs/dbraw/zinc/72/87/40/378728740.db2.gz MITROFHFZQKWKQ-VXGBXAGGSA-N 0 1 282.347 2.981 20 30 CFEDMN C[C@@H]1[C@@H](C)CCN1Cc1nnc(-c2cccc(C#N)c2)o1 ZINC000332185907 378733901 /nfs/dbraw/zinc/73/39/01/378733901.db2.gz WTXKCOKDKNGIRT-NWDGAFQWSA-N 0 1 282.347 2.839 20 30 CFEDMN CCNC(=O)C(C#N)c1nc2cc(Cl)ccc2s1 ZINC000161412380 378844258 /nfs/dbraw/zinc/84/42/58/378844258.db2.gz VPMWPGFEMBECTN-QMMMGPOBSA-N 0 1 279.752 2.693 20 30 CFEDMN C=CCCC1(CNC(=O)[C@@H](C)N(C)C)CCCC1 ZINC000636160778 383732374 /nfs/dbraw/zinc/73/23/74/383732374.db2.gz URGBQFVESYMRQD-CYBMUJFWSA-N 0 1 252.402 2.579 20 30 CFEDMN C#CCN(C(=O)c1[nH]nc2ccccc21)C1CCCC1 ZINC000163955452 378998726 /nfs/dbraw/zinc/99/87/26/378998726.db2.gz DIEGYXWWENYUJC-UHFFFAOYSA-N 0 1 267.332 2.581 20 30 CFEDMN C[C@H](C#N)C(=O)Nc1ccc2nc(C(F)F)[nH]c2c1 ZINC000335311584 379063826 /nfs/dbraw/zinc/06/38/26/379063826.db2.gz XYKCHXORFDUTJY-ZCFIWIBFSA-N 0 1 264.235 2.599 20 30 CFEDMN C=C[C@H]1CCCCN1Cc1ccc2c(c1)NC(=O)CO2 ZINC000335313006 379065648 /nfs/dbraw/zinc/06/56/48/379065648.db2.gz IGDIANZIXLJVBJ-ZDUSSCGKSA-N 0 1 272.348 2.558 20 30 CFEDMN C=CCN(CCCCCO)Cc1ccccc1F ZINC000171145496 379244082 /nfs/dbraw/zinc/24/40/82/379244082.db2.gz VNZUPIYCBAFEPO-UHFFFAOYSA-N 0 1 251.345 2.976 20 30 CFEDMN CC(C)n1cc(C#N)c(=NC(=O)[C@H]2CC3CCC2CC3)[nH]1 ZINC000334514531 379432942 /nfs/dbraw/zinc/43/29/42/379432942.db2.gz ZGNISVSWEZWBGL-YIZWMMSDSA-N 0 1 286.379 2.522 20 30 CFEDMN N#CCCC1CCN(C(=O)c2cccc3n[nH]cc32)CC1 ZINC000335502259 379413604 /nfs/dbraw/zinc/41/36/04/379413604.db2.gz XPSPCBZASFVBDL-UHFFFAOYSA-N 0 1 282.347 2.719 20 30 CFEDMN CC(C)n1cc(C#N)c(=NC(=O)[C@@H]2CCCC[C@@H]2C)[nH]1 ZINC000335605435 379592433 /nfs/dbraw/zinc/59/24/33/379592433.db2.gz RFXKXXFNYBVWKA-WCQYABFASA-N 0 1 274.368 2.522 20 30 CFEDMN C[C@@H](c1cccc(C#N)c1)[N@H+]1CCCc2c(cnn2C)C1 ZINC000334647682 379703879 /nfs/dbraw/zinc/70/38/79/379703879.db2.gz RLZUTWMRJYEHKO-ZDUSSCGKSA-N 0 1 280.375 2.801 20 30 CFEDMN C[C@@H](c1cccc(C#N)c1)N1CCCc2c(cnn2C)C1 ZINC000334647682 379703884 /nfs/dbraw/zinc/70/38/84/379703884.db2.gz RLZUTWMRJYEHKO-ZDUSSCGKSA-N 0 1 280.375 2.801 20 30 CFEDMN C#CCN1CCC(C(=O)N2C[C@@H](C)[C@H]2c2ccccc2)CC1 ZINC000173972963 379809598 /nfs/dbraw/zinc/80/95/98/379809598.db2.gz DXHQPILMFZVUMW-QAPCUYQASA-N 0 1 296.414 2.551 20 30 CFEDMN CC(C)N1CC[C@@H](Nc2snc(Cl)c2C#N)C1 ZINC000173975769 379809899 /nfs/dbraw/zinc/80/98/99/379809899.db2.gz RXYMFPAKMJSGEX-MRVPVSSYSA-N 0 1 270.789 2.563 20 30 CFEDMN C[C@H]1OCC[C@@]1(C)NCc1ccc(Cl)cc1C#N ZINC000334707191 379801063 /nfs/dbraw/zinc/80/10/63/379801063.db2.gz HJYCRFZEZJKOLC-QMTHXVAHSA-N 0 1 264.756 2.869 20 30 CFEDMN CO[C@H]1CCN(Cc2cc(C#N)ccc2F)C[C@H]1C ZINC000334687623 379768113 /nfs/dbraw/zinc/76/81/13/379768113.db2.gz BZLYOEGRZOGEFI-ABAIWWIYSA-N 0 1 262.328 2.554 20 30 CFEDMN N#Cc1csc(CN2C[C@H](O)C[C@@H]2c2ccccc2)c1 ZINC000335247000 380076131 /nfs/dbraw/zinc/07/61/31/380076131.db2.gz UEMOOQUXYCVLMT-GDBMZVCRSA-N 0 1 284.384 2.928 20 30 CFEDMN N#Cc1cccc(C[N@H+]2C[C@H](O)C[C@@H]2c2ccccc2)c1 ZINC000335247067 380076397 /nfs/dbraw/zinc/07/63/97/380076397.db2.gz CSOCKKKLEDJAKG-QZTJIDSGSA-N 0 1 278.355 2.866 20 30 CFEDMN N#Cc1cc(F)ccc1CN[C@@H]1Cc2cccc(O)c2C1 ZINC000335877319 380038199 /nfs/dbraw/zinc/03/81/99/380038199.db2.gz VLESYCSSPHOFDS-OAHLLOKOSA-N 0 1 282.318 2.660 20 30 CFEDMN CO[C@H]1CC[N@@H+](Cc2cccc(C#N)c2F)[C@H](C)C1 ZINC000335918775 380106708 /nfs/dbraw/zinc/10/67/08/380106708.db2.gz VSDVNIYVKJWWIT-RISCZKNCSA-N 0 1 262.328 2.697 20 30 CFEDMN CO[C@H]1CCN(Cc2cccc(C#N)c2F)[C@H](C)C1 ZINC000335918775 380106713 /nfs/dbraw/zinc/10/67/13/380106713.db2.gz VSDVNIYVKJWWIT-RISCZKNCSA-N 0 1 262.328 2.697 20 30 CFEDMN C[C@H]1C[N@H+]2CCCC[C@@H]2CN1C(=O)Nc1ccc(C#N)cc1 ZINC000335992141 380206993 /nfs/dbraw/zinc/20/69/93/380206993.db2.gz SQIZRKFIINUVFV-XJKSGUPXSA-N 0 1 298.390 2.649 20 30 CFEDMN C[C@H]1CN2CCCC[C@@H]2CN1C(=O)Nc1ccc(C#N)cc1 ZINC000335992141 380206997 /nfs/dbraw/zinc/20/69/97/380206997.db2.gz SQIZRKFIINUVFV-XJKSGUPXSA-N 0 1 298.390 2.649 20 30 CFEDMN Cn1nccc1[C@H]1CCCN(Cc2cccc(C#N)c2F)C1 ZINC000336496773 380366274 /nfs/dbraw/zinc/36/62/74/380366274.db2.gz LMOPDKLUEVXELF-AWEZNQCLSA-N 0 1 298.365 2.810 20 30 CFEDMN Cc1nn(C)cc1[C@@H](C)NCc1cc(C#N)cs1 ZINC000177696518 380369505 /nfs/dbraw/zinc/36/95/05/380369505.db2.gz WRWQRVYLLWMWSU-SECBINFHSA-N 0 1 260.366 2.513 20 30 CFEDMN N#Cc1ccsc1NC(=O)CN1C[C@@H]2CCCC[C@H]2C1 ZINC000177545595 380353695 /nfs/dbraw/zinc/35/36/95/380353695.db2.gz NYCSBXXITPZJQL-STQMWFEESA-N 0 1 289.404 2.680 20 30 CFEDMN C=CCCCNC(=O)[C@@H]1CCCN1Cc1ccccc1 ZINC000279101407 194284989 /nfs/dbraw/zinc/28/49/89/194284989.db2.gz CQYNQPSVLOVTKU-INIZCTEOSA-N 0 1 272.392 2.733 20 30 CFEDMN N#Cc1ccc(CN2CC3(CCOCC3)[C@H]2C2CC2)o1 ZINC000336630114 380575436 /nfs/dbraw/zinc/57/54/36/380575436.db2.gz QOARKVTXKSCYIZ-OAHLLOKOSA-N 0 1 272.348 2.542 20 30 CFEDMN CCN(C[C@H](O)C(F)(F)F)[C@@H](C)c1ccc(C#N)cc1 ZINC000181655011 380855704 /nfs/dbraw/zinc/85/57/04/380855704.db2.gz WQIFUKZWMCEENQ-GWCFXTLKSA-N 0 1 286.297 2.864 20 30 CFEDMN CC(C)c1nc([C@H]2CCCCN2CC2(C#N)CC2)n[nH]1 ZINC000408209502 380917327 /nfs/dbraw/zinc/91/73/27/380917327.db2.gz COUTWOLNPSCTPL-GFCCVEGCSA-N 0 1 273.384 2.759 20 30 CFEDMN C=CCC(C)(C)C(=O)N1C[C@H](C)N(CC)C[C@@H]1C ZINC000410638549 380985353 /nfs/dbraw/zinc/98/53/53/380985353.db2.gz QJBANHVJCLKCCR-STQMWFEESA-N 0 1 252.402 2.530 20 30 CFEDMN CC1(C)C[C@H](O)CCN(Cc2cc(C#N)ccc2F)C1 ZINC000295555955 380938751 /nfs/dbraw/zinc/93/87/51/380938751.db2.gz SQJPQEMBCQMWLW-CQSZACIVSA-N 0 1 276.355 2.680 20 30 CFEDMN CC(C)(C)OC(=O)CCCN(CCC#N)CC1CC1 ZINC000181943207 380942308 /nfs/dbraw/zinc/94/23/08/380942308.db2.gz YWMKKKYFUZNUGD-UHFFFAOYSA-N 0 1 266.385 2.734 20 30 CFEDMN N#Cc1ccc(CN2CC[C@@H]2Cc2ccccc2)o1 ZINC000353996347 381009329 /nfs/dbraw/zinc/00/93/29/381009329.db2.gz CKJLSOOEYUWGGW-CQSZACIVSA-N 0 1 252.317 2.968 20 30 CFEDMN C=CCN(Cc1ccccc1)[C@H](C)c1n[nH]c(C)n1 ZINC000411135734 381010806 /nfs/dbraw/zinc/01/08/06/381010806.db2.gz QWEWTKFQQPJSFO-GFCCVEGCSA-N 0 1 256.353 2.862 20 30 CFEDMN C[C@@H]1CO[C@@H](C)CN1CCC1(C#N)CCCCC1 ZINC000411147685 381012227 /nfs/dbraw/zinc/01/22/27/381012227.db2.gz PZCNAKNPASNGQU-KGLIPLIRSA-N 0 1 250.386 2.960 20 30 CFEDMN C[C@H](CCC#N)N1CCCN(C(=O)c2ccccc2)CC1 ZINC000411149881 381013822 /nfs/dbraw/zinc/01/38/22/381013822.db2.gz TWRZVQVDDJHRPH-OAHLLOKOSA-N 0 1 285.391 2.527 20 30 CFEDMN C[C@@]1(C(N)=O)CCCCN1CCC1(C#N)CCCCC1 ZINC000411525191 381032244 /nfs/dbraw/zinc/03/22/44/381032244.db2.gz LOGDXFPHFOZQRM-HNNXBMFYSA-N 0 1 277.412 2.580 20 30 CFEDMN C=C[C@H](CO)N[C@H](C)c1ccc(Br)cc1F ZINC000289655331 381087766 /nfs/dbraw/zinc/08/77/66/381087766.db2.gz GLWQEUFUXBZTBH-PSASIEDQSA-N 0 1 288.160 2.786 20 30 CFEDMN CC[C@@H]1CN(Cc2ccc(C#N)cc2)[C@@H](CC)CN1C(C)=O ZINC000354119656 381091969 /nfs/dbraw/zinc/09/19/69/381091969.db2.gz JCHNVVCCIMGAKC-ZWKOTPCHSA-N 0 1 299.418 2.780 20 30 CFEDMN C=CCCS(=O)(=O)Nc1cnoc1-c1ccccc1 ZINC000182485926 381096281 /nfs/dbraw/zinc/09/62/81/381096281.db2.gz TZPKNFOBJPTRID-UHFFFAOYSA-N 0 1 278.333 2.659 20 30 CFEDMN C=C[C@@H](CO)N[C@H](C)c1cc(Cl)ccc1OC ZINC000289630060 381077229 /nfs/dbraw/zinc/07/72/29/381077229.db2.gz FCKUONDZZZIDEC-KOLCDFICSA-N 0 1 255.745 2.546 20 30 CFEDMN Cc1csc(C(C#N)C(=O)c2ccc3nccnc3c2)n1 ZINC000354216402 381146098 /nfs/dbraw/zinc/14/60/98/381146098.db2.gz DHIHFSZOOZTMOR-NSHDSACASA-N 0 1 294.339 2.885 20 30 CFEDMN COc1ccc(CN2CC[C@H](n3cc(C)cn3)C2)cc1C#N ZINC000289742032 381130813 /nfs/dbraw/zinc/13/08/13/381130813.db2.gz DYXKCVDNTMOMGN-INIZCTEOSA-N 0 1 296.374 2.519 20 30 CFEDMN C#Cc1ccc(CN2CCC[C@H]([C@H](O)C(F)(F)F)C2)cc1 ZINC000289801859 381166948 /nfs/dbraw/zinc/16/69/48/381166948.db2.gz SKDIPHDECUCPRZ-GJZGRUSLSA-N 0 1 297.320 2.803 20 30 CFEDMN C=C[C@@H](CO)N[C@@H](C)c1ccc(Br)s1 ZINC000289815108 381171634 /nfs/dbraw/zinc/17/16/34/381171634.db2.gz LVKPCZUYDYRVSU-YUMQZZPRSA-N 0 1 276.199 2.708 20 30 CFEDMN COc1cc(C[N@H+]2CCC3(CCC3)C2)ccc1C#N ZINC000369115445 381196194 /nfs/dbraw/zinc/19/61/94/381196194.db2.gz IFMVJDFYEFYJSM-UHFFFAOYSA-N 0 1 256.349 2.943 20 30 CFEDMN N#Cc1ccc(NCc2n[nH]c(C3CC3)n2)c(Cl)c1 ZINC000359012566 381214224 /nfs/dbraw/zinc/21/42/24/381214224.db2.gz FNGJTMDPDAFWDA-UHFFFAOYSA-N 0 1 273.727 2.819 20 30 CFEDMN N#Cc1c(CN2CCCO[C@@H]3CCC[C@@H]32)cn2ccccc12 ZINC000369456042 381262271 /nfs/dbraw/zinc/26/22/71/381262271.db2.gz DWUAUCAUJHDVPJ-ZWKOTPCHSA-N 0 1 295.386 2.954 20 30 CFEDMN C=CCN(CCc1ccco1)Cc1cncc(OC)c1 ZINC000290018554 381263673 /nfs/dbraw/zinc/26/36/73/381263673.db2.gz SQAJUSONHSRDLI-UHFFFAOYSA-N 0 1 272.348 2.914 20 30 CFEDMN COc1cc([C@H](C)NCc2ccc(C#N)s2)ccn1 ZINC000342274345 381241316 /nfs/dbraw/zinc/24/13/16/381241316.db2.gz HRDLGXIXIIOXMN-JTQLQIEISA-N 0 1 273.361 2.874 20 30 CFEDMN COc1cc([C@H](C)NCc2cc(C#N)cs2)ccn1 ZINC000342288125 381249831 /nfs/dbraw/zinc/24/98/31/381249831.db2.gz LNQMGFRTZGGHCI-JTQLQIEISA-N 0 1 273.361 2.874 20 30 CFEDMN Cc1ccc2nc(CNc3ccc(Cl)c(C#N)n3)[nH]c2c1 ZINC000342443629 381335984 /nfs/dbraw/zinc/33/59/84/381335984.db2.gz WCIZSWBACRFKEH-UHFFFAOYSA-N 0 1 297.749 2.825 20 30 CFEDMN CC(C)(C)[C@H]1CCN(Cc2cccc(C#N)c2F)C[C@@H]1O ZINC000347780426 381344965 /nfs/dbraw/zinc/34/49/65/381344965.db2.gz GRXBMSFEPWMAMC-GJZGRUSLSA-N 0 1 290.382 2.926 20 30 CFEDMN C#Cc1ccc(CNCc2cn(C)nc2C(F)(F)F)cc1 ZINC000290482435 381446888 /nfs/dbraw/zinc/44/68/88/381446888.db2.gz VJFONFIHSJHFCT-UHFFFAOYSA-N 0 1 293.292 2.710 20 30 CFEDMN C=CCC[C@H](O)CN[C@@H](C)c1csc(CC)n1 ZINC000184746929 381474510 /nfs/dbraw/zinc/47/45/10/381474510.db2.gz APWLSGOXMDOECG-QWRGUYRKSA-N 0 1 254.399 2.683 20 30 CFEDMN C[C@@H]1CN(Cc2ccc(CC#N)cc2)C[C@@H](C2CC2)O1 ZINC000348250200 381476873 /nfs/dbraw/zinc/47/68/73/381476873.db2.gz XVSJOZPJCIVCGU-DYVFJYSZSA-N 0 1 270.376 2.752 20 30 CFEDMN C=CCOCCCN1CCc2ccc([N+](=O)[O-])cc2C1 ZINC000348029615 381453864 /nfs/dbraw/zinc/45/38/64/381453864.db2.gz GHZKMFQGAAANKN-UHFFFAOYSA-N 0 1 276.336 2.546 20 30 CFEDMN C=CCOCCCN1CCOc2c(F)cccc2C1 ZINC000348193750 381470092 /nfs/dbraw/zinc/47/00/92/381470092.db2.gz ODWGYRKDBIVNBL-UHFFFAOYSA-N 0 1 265.328 2.613 20 30 CFEDMN Cc1nc([C@@H](C)Sc2nc(C)cc(C)c2C#N)n[nH]1 ZINC000412973689 381512305 /nfs/dbraw/zinc/51/23/05/381512305.db2.gz ASTNSGQMRFTQHY-SECBINFHSA-N 0 1 273.365 2.850 20 30 CFEDMN C=CCCN(C)[C@@H](C)C(=O)Nc1ccc(F)cc1F ZINC000342715350 381496035 /nfs/dbraw/zinc/49/60/35/381496035.db2.gz AQAITQGOQSYQLR-JTQLQIEISA-N 0 1 268.307 2.800 20 30 CFEDMN C=CCCN[C@@H](C)c1nc(-c2cccc(OC)c2)no1 ZINC000185125319 381540957 /nfs/dbraw/zinc/54/09/57/381540957.db2.gz APMGDNFDYJIAPI-NSHDSACASA-N 0 1 273.336 2.972 20 30 CFEDMN N#Cc1c(Cl)cccc1N1CCN(C2CCC2)CC1 ZINC000296977469 381548606 /nfs/dbraw/zinc/54/86/06/381548606.db2.gz DOINGZFLNHTFBZ-UHFFFAOYSA-N 0 1 275.783 2.886 20 30 CFEDMN Cc1nc([C@H]2CCCCN2c2cccc(F)c2C#N)n[nH]1 ZINC000371109919 381549250 /nfs/dbraw/zinc/54/92/50/381549250.db2.gz XGMLGPHNQIZKQN-CQSZACIVSA-N 0 1 285.326 2.856 20 30 CFEDMN C[C@@H](N[C@@H]1CCCC(F)(F)[C@H]1O)c1ccc(C#N)cc1F ZINC000414309575 381578226 /nfs/dbraw/zinc/57/82/26/381578226.db2.gz YBOKIDLJZSUVMS-FZQKWOKYSA-N 0 1 298.308 2.897 20 30 CFEDMN COC(=O)c1cnc([C@@H](C)NCC(C)(C)CCC#N)s1 ZINC000414160853 381565292 /nfs/dbraw/zinc/56/52/92/381565292.db2.gz JNRXMWSZDWJMOG-SNVBAGLBSA-N 0 1 295.408 2.910 20 30 CFEDMN COCC[C@@H](Cc1cccc(F)c1)NC[C@H](C)C#N ZINC000185323883 381598190 /nfs/dbraw/zinc/59/81/90/381598190.db2.gz WFRZYQIZSFTHDN-DOMZBBRYSA-N 0 1 264.344 2.523 20 30 CFEDMN COCC[C@@H](Cc1cccc(F)c1)NC[C@@H](C)C#N ZINC000185323906 381598230 /nfs/dbraw/zinc/59/82/30/381598230.db2.gz WFRZYQIZSFTHDN-WFASDCNBSA-N 0 1 264.344 2.523 20 30 CFEDMN N#Cc1ccc(CN(Cc2ccccc2)CC2(CO)CC2)o1 ZINC000342865684 381594545 /nfs/dbraw/zinc/59/45/45/381594545.db2.gz WNLNHUVGWRUUGZ-UHFFFAOYSA-N 0 1 296.370 2.926 20 30 CFEDMN C=CCN(CC=C)C(=O)[C@H](C)N1CC[C@]2(C)[C@H](C1)C2(F)F ZINC000298417378 381616668 /nfs/dbraw/zinc/61/66/68/381616668.db2.gz XNGZNOKVLNCCHJ-KCQAQPDRSA-N 0 1 298.377 2.553 20 30 CFEDMN CCN(Cc1cn2ccccc2c1C#N)C[C@@H](C)OC ZINC000291114534 381671024 /nfs/dbraw/zinc/67/10/24/381671024.db2.gz AJCKYTVVELFVDJ-CYBMUJFWSA-N 0 1 271.364 2.668 20 30 CFEDMN COc1ccc(CN2CC(C3CCC3)C2)cc1C#N ZINC000348718181 381684261 /nfs/dbraw/zinc/68/42/61/381684261.db2.gz WCVPZTNPJHLVKQ-UHFFFAOYSA-N 0 1 256.349 2.799 20 30 CFEDMN Cc1c(C#N)cccc1NC(=O)c1c(O)cccc1F ZINC000185768823 381727933 /nfs/dbraw/zinc/72/79/33/381727933.db2.gz NFDMCZIPNRMPGR-UHFFFAOYSA-N 0 1 270.263 2.964 20 30 CFEDMN C=C(C)C[C@H](C)C(=O)NCCN(C)Cc1ccc(F)cc1 ZINC000185776420 381730760 /nfs/dbraw/zinc/73/07/60/381730760.db2.gz HAJUPJHIOWFZTP-AWEZNQCLSA-N 0 1 292.398 2.976 20 30 CFEDMN C=C(C)C[C@@H](C)C(=O)Nc1cc(CN(C)C)ccn1 ZINC000185775704 381730873 /nfs/dbraw/zinc/73/08/73/381730873.db2.gz VJQRUOAMFSBXAR-GFCCVEGCSA-N 0 1 261.369 2.684 20 30 CFEDMN CC(C)(C)OC(=O)N[C@@H]1CCC[C@@H]2CN(CCC#N)C[C@@H]21 ZINC000359993941 381718113 /nfs/dbraw/zinc/71/81/13/381718113.db2.gz AIVOVFRHXOQISW-HZSPNIEDSA-N 0 1 293.411 2.525 20 30 CFEDMN CCCN1CCN(C(=O)C[C@@H](CC#N)c2ccccc2)CC1 ZINC000355627125 381788373 /nfs/dbraw/zinc/78/83/73/381788373.db2.gz WUOVJCBPLKXAHF-QGZVFWFLSA-N 0 1 299.418 2.628 20 30 CFEDMN C#CCn1ccc(CN(CC)CC2(SC)CCC2)n1 ZINC000291544002 381764738 /nfs/dbraw/zinc/76/47/38/381764738.db2.gz LPCDGCZFSICUPH-UHFFFAOYSA-N 0 1 277.437 2.624 20 30 CFEDMN CCOc1nc(C)ccc1C(=O)[C@@H](C#N)c1ccccn1 ZINC000361196569 381807298 /nfs/dbraw/zinc/80/72/98/381807298.db2.gz ZGRWJVFNIMMBPA-ZDUSSCGKSA-N 0 1 281.315 2.674 20 30 CFEDMN Cc1nc(N[C@H]2CN(C3CC3)C[C@H]2C)c(Cl)cc1C#N ZINC000292552968 381809749 /nfs/dbraw/zinc/80/97/49/381809749.db2.gz JAIHJSSFFSEABK-OTYXRUKQSA-N 0 1 290.798 2.810 20 30 CFEDMN N#CC(C(=O)c1ccn(C2CCCCC2)n1)c1ccncn1 ZINC000361791788 381863749 /nfs/dbraw/zinc/86/37/49/381863749.db2.gz FKKLSEASIBEIJC-CYBMUJFWSA-N 0 1 295.346 2.668 20 30 CFEDMN CC(C)[C@@H]1CN(Cc2ccc(CC#N)cc2)CCO1 ZINC000343761802 381929818 /nfs/dbraw/zinc/92/98/18/381929818.db2.gz UDWWIAIDZMBJSS-INIZCTEOSA-N 0 1 258.365 2.609 20 30 CFEDMN C=CCN1CC[C@@H]2CCN(C(=O)OC(C)(C)C)[C@@H]2C1 ZINC000372990170 381903930 /nfs/dbraw/zinc/90/39/30/381903930.db2.gz NDEKYSQDTPCMOG-CHWSQXEVSA-N 0 1 266.385 2.504 20 30 CFEDMN C=CCN(CCc1ccccc1)C(=O)c1cc(CC)[nH]n1 ZINC000299347100 381906191 /nfs/dbraw/zinc/90/61/91/381906191.db2.gz OFDPQDYLGNYJPV-UHFFFAOYSA-N 0 1 283.375 2.843 20 30 CFEDMN N#Cc1cccc(NC(=O)c2cn[nH]c2-c2ccncc2)c1 ZINC000349358578 381907316 /nfs/dbraw/zinc/90/73/16/381907316.db2.gz WOBPUQCGTVICCX-UHFFFAOYSA-N 0 1 289.298 2.596 20 30 CFEDMN Cc1cc(-c2noc(-c3ccc(C#N)[nH]3)n2)cc2nc[nH]c21 ZINC000356952615 381921712 /nfs/dbraw/zinc/92/17/12/381921712.db2.gz UDNVTTXUGDTDTK-UHFFFAOYSA-N 0 1 290.286 2.788 20 30 CFEDMN C=C[C@](C)(CC)C(=O)Nc1nc(-c2ccco2)n[nH]1 ZINC000299451187 381948823 /nfs/dbraw/zinc/94/88/23/381948823.db2.gz ZCQSBRLOUSYCMS-CYBMUJFWSA-N 0 1 260.297 2.606 20 30 CFEDMN N#Cc1ccc(NC(=O)c2ccc3cncn3c2)cc1F ZINC000362302179 381999073 /nfs/dbraw/zinc/99/90/73/381999073.db2.gz XCELWZQZNLFUKM-UHFFFAOYSA-N 0 1 280.262 2.597 20 30 CFEDMN C#CC[C@@H](NCc1n[nH]c(C(C)C)n1)c1ccccc1 ZINC000293161944 382012481 /nfs/dbraw/zinc/01/24/81/382012481.db2.gz MWTPCWXZTSYZHC-CQSZACIVSA-N 0 1 268.364 2.782 20 30 CFEDMN CCOC(=O)CC(C)(C)N(C)Cc1ccc(C#N)cc1F ZINC000343872036 381995201 /nfs/dbraw/zinc/99/52/01/381995201.db2.gz KBSGQCLUVGRJFW-UHFFFAOYSA-N 0 1 292.354 2.861 20 30 CFEDMN CN(CC#Cc1ccccc1)C[C@@H](O)Cc1ccccc1 ZINC000293243287 382045538 /nfs/dbraw/zinc/04/55/38/382045538.db2.gz HUENUMXFRLXGRL-IBGZPJMESA-N 0 1 279.383 2.574 20 30 CFEDMN Cc1cccc2nc(Cc3noc([C@]4(C#N)C[C@@H]4C)n3)[nH]c21 ZINC000351083191 382025919 /nfs/dbraw/zinc/02/59/19/382025919.db2.gz NRYOPRCSBYXGRH-QFYYESIMSA-N 0 1 293.330 2.646 20 30 CFEDMN C=C(C)CN(C)CC(=O)N[C@@H]1CCCc2ccccc21 ZINC000351094854 382026576 /nfs/dbraw/zinc/02/65/76/382026576.db2.gz DGWKRDUVWKMBIS-MRXNPFEDSA-N 0 1 272.392 2.688 20 30 CFEDMN CN(Cc1ccc(Cl)cc1C#N)C[C@H]1CCOC1 ZINC000187126345 382106003 /nfs/dbraw/zinc/10/60/03/382106003.db2.gz REWRXNFXKJFPLY-LLVKDONJSA-N 0 1 264.756 2.680 20 30 CFEDMN CC[C@@](C)(C#N)C(=O)NCC1(C)CN(Cc2ccccc2)C1 ZINC000376008233 382114719 /nfs/dbraw/zinc/11/47/19/382114719.db2.gz KTVICQDPOITCMQ-SFHVURJKSA-N 0 1 299.418 2.565 20 30 CFEDMN C[C@@H]1CN(C(C)(C)CNc2ccc(C#N)cc2)C[C@@H](C)O1 ZINC000301077894 382075339 /nfs/dbraw/zinc/07/53/39/382075339.db2.gz LACXERXKYWXBIK-ZIAGYGMSSA-N 0 1 287.407 2.858 20 30 CFEDMN CC#CCN(C)C[C@H](O)c1ccc(C(F)(F)F)cc1 ZINC000293317150 382076063 /nfs/dbraw/zinc/07/60/63/382076063.db2.gz XJHZRYNYONZNBW-ZDUSSCGKSA-N 0 1 271.282 2.694 20 30 CFEDMN CC(C)(C#N)CCCCN1CCO[C@@H]([C@H]2CCCO2)C1 ZINC000375402465 382084070 /nfs/dbraw/zinc/08/40/70/382084070.db2.gz HRTYWPYBGDSMHP-HUUCEWRRSA-N 0 1 280.412 2.586 20 30 CFEDMN N#Cc1ccc(N2CCN(CCCCF)CC2)c(F)c1 ZINC000352122689 382181941 /nfs/dbraw/zinc/18/19/41/382181941.db2.gz HEKBGYUTUOIDAP-UHFFFAOYSA-N 0 1 279.334 2.569 20 30 CFEDMN CCC1(CC)CCN([C@@H](C(N)=O)c2ccc(C#N)cc2)CC1 ZINC000362601311 382168270 /nfs/dbraw/zinc/16/82/70/382168270.db2.gz IPZDSLHIGCOAIK-MRXNPFEDSA-N 0 1 299.418 2.987 20 30 CFEDMN CN(C)[C@H](CNc1c(C#N)cccc1C#N)c1ccco1 ZINC000302413476 382248273 /nfs/dbraw/zinc/24/82/73/382248273.db2.gz HIIHWPDESLICJZ-CQSZACIVSA-N 0 1 280.331 2.738 20 30 CFEDMN C[C@H]1CCCCN(CC(=O)Nc2cccc(C#N)c2)C1 ZINC000187969042 382313733 /nfs/dbraw/zinc/31/37/33/382313733.db2.gz KWQVGZPHFBPDMU-ZDUSSCGKSA-N 0 1 271.364 2.619 20 30 CFEDMN COCCCCN(C)Cc1cccc(F)c1C#N ZINC000419395545 382317217 /nfs/dbraw/zinc/31/72/17/382317217.db2.gz YBGOJHYWIKLKSP-UHFFFAOYSA-N 0 1 250.317 2.556 20 30 CFEDMN C=C(C)CC[N@H+](CCOC)Cc1scnc1C ZINC000352412712 382317099 /nfs/dbraw/zinc/31/70/99/382317099.db2.gz ICKOLHLKCVBQGR-UHFFFAOYSA-N 0 1 254.399 2.866 20 30 CFEDMN C[C@H]1CC[C@@](CO)(N(C)Cc2ccc(F)cc2C#N)C1 ZINC000188031618 382328960 /nfs/dbraw/zinc/32/89/60/382328960.db2.gz SABGUDSBSYDZLO-BLLLJJGKSA-N 0 1 276.355 2.680 20 30 CFEDMN C=CCC(F)(F)C(=O)NC[C@@H](c1ccsc1)N(C)C ZINC000293909594 382331796 /nfs/dbraw/zinc/33/17/96/382331796.db2.gz CZSAWVZAORACJR-NSHDSACASA-N 0 1 288.363 2.678 20 30 CFEDMN Cc1csc(C(C#N)=C([O-])c2ccc(C)c(C)[nH+]2)n1 ZINC000420240347 382337085 /nfs/dbraw/zinc/33/70/85/382337085.db2.gz UJKKOEJYRIBPEK-LLVKDONJSA-N 0 1 271.345 2.953 20 30 CFEDMN N#CC1(F)CCN(CCCOc2ccc(F)cc2)CC1 ZINC000352484470 382359474 /nfs/dbraw/zinc/35/94/74/382359474.db2.gz PSCXFCKCPJZKKA-UHFFFAOYSA-N 0 1 280.318 2.922 20 30 CFEDMN COCc1cccc(NC(=O)c2ccc(C#N)c(O)c2)c1 ZINC000188274961 382381516 /nfs/dbraw/zinc/38/15/16/382381516.db2.gz SXPNKHPJSFYUFN-UHFFFAOYSA-N 0 1 282.299 2.663 20 30 CFEDMN CC(C)(C#N)CCCC[N@H+]1CCOC[C@H]1[C@H]1CCCC1=O ZINC000365468642 382398491 /nfs/dbraw/zinc/39/84/91/382398491.db2.gz XZZWJZWHJLBCPE-CABCVRRESA-N 0 1 292.423 2.776 20 30 CFEDMN CC(C)(C#N)CCCCN1CCOC[C@H]1[C@H]1CCCC1=O ZINC000365468642 382398498 /nfs/dbraw/zinc/39/84/98/382398498.db2.gz XZZWJZWHJLBCPE-CABCVRRESA-N 0 1 292.423 2.776 20 30 CFEDMN COc1ccc(NC(=O)c2ccc(C#N)c(O)c2)cc1F ZINC000188321377 382392276 /nfs/dbraw/zinc/39/22/76/382392276.db2.gz FDYIKWNYEXIHCS-UHFFFAOYSA-N 0 1 286.262 2.664 20 30 CFEDMN C#CCCCCNc1nc(C(F)(F)F)nc2[nH]cnc21 ZINC000302902021 382347030 /nfs/dbraw/zinc/34/70/30/382347030.db2.gz UBARVPHGSPLDIT-UHFFFAOYSA-N 0 1 283.257 2.587 20 30 CFEDMN Cc1nc([C@@H]2CCCCN2Cc2ccc(F)c(C#N)c2)n[nH]1 ZINC000378244182 382423779 /nfs/dbraw/zinc/42/37/79/382423779.db2.gz JPIPBTXACKZOLW-HNNXBMFYSA-N 0 1 299.353 2.851 20 30 CFEDMN N#Cc1ccc(C(=O)Nc2cc(C3CCCC3)[nH]n2)cc1O ZINC000188522998 382429237 /nfs/dbraw/zinc/42/92/37/382429237.db2.gz VTQVNILJRVWHEY-UHFFFAOYSA-N 0 1 296.330 2.897 20 30 CFEDMN COC[C@@H]1CCCCN1Cc1ccc(F)c(C#N)c1 ZINC000307776666 382469998 /nfs/dbraw/zinc/46/99/98/382469998.db2.gz XAEAKAMILWETBC-AWEZNQCLSA-N 0 1 262.328 2.698 20 30 CFEDMN Fc1ccc(C#CCN2CC[C@H](COC(F)F)C2)cc1 ZINC000353025268 382489181 /nfs/dbraw/zinc/48/91/81/382489181.db2.gz IOHIKWDXJHDKAP-ZDUSSCGKSA-N 0 1 283.293 2.738 20 30 CFEDMN Fc1ccc(C#CCN2CC[C@@H](COC(F)F)C2)cc1 ZINC000353025267 382489275 /nfs/dbraw/zinc/48/92/75/382489275.db2.gz IOHIKWDXJHDKAP-CYBMUJFWSA-N 0 1 283.293 2.738 20 30 CFEDMN N#C[C@H]1CC[C@@H](NCc2ccc(Br)cn2)C1 ZINC000309545352 382489450 /nfs/dbraw/zinc/48/94/50/382489450.db2.gz HUYIAPLUIKZWOV-GXSJLCMTSA-N 0 1 280.169 2.626 20 30 CFEDMN CCc1ncc(CNCc2ccc(C#N)c(OC)c2)s1 ZINC000353186261 382520886 /nfs/dbraw/zinc/52/08/86/382520886.db2.gz DGRYRRUPRXROAQ-UHFFFAOYSA-N 0 1 287.388 2.876 20 30 CFEDMN C=CCN1CC[C@@H](N[C@H](CC(F)F)c2ccccc2)C1=O ZINC000420990646 382503302 /nfs/dbraw/zinc/50/33/02/382503302.db2.gz GALCUTFEZRHVBE-ZIAGYGMSSA-N 0 1 294.345 2.759 20 30 CFEDMN C=CCOCCN1Cc2ccc(OC)cc2OC(C)(C)C1 ZINC000421043945 382509010 /nfs/dbraw/zinc/50/90/10/382509010.db2.gz ROINFMDZZHOXBO-UHFFFAOYSA-N 0 1 291.391 2.871 20 30 CFEDMN C[C@@H](NCCCC#N)c1ccc(-n2cncn2)cc1Cl ZINC000346787557 382511208 /nfs/dbraw/zinc/51/12/08/382511208.db2.gz FZRXPQQYCYDGPM-LLVKDONJSA-N 0 1 289.770 2.875 20 30 CFEDMN Cc1nc(NCc2n[nH]c(C3CC3)n2)c(Cl)cc1C#N ZINC000294891691 382541451 /nfs/dbraw/zinc/54/14/51/382541451.db2.gz GFTDLSRVIKRZHG-UHFFFAOYSA-N 0 1 288.742 2.523 20 30 CFEDMN O=C(N[C@@H]1CCCc2cn[nH]c21)[C@@H](O)C1CCCCC1 ZINC000328600107 382551715 /nfs/dbraw/zinc/55/17/15/382551715.db2.gz CTOOBYURCWGFPH-OCCSQVGLSA-N 0 1 277.368 2.685 20 30 CFEDMN Cc1cc([C@@H]2CCCN(C(=O)N[C@@H]3C=CCCC3)C2)n[nH]1 ZINC000328664143 382561961 /nfs/dbraw/zinc/56/19/61/382561961.db2.gz BICUGDMZMOAMQH-ZIAGYGMSSA-N 0 1 288.395 2.920 20 30 CFEDMN C[C@@H]1C[N@H+](C)C[C@H]1N[C@@H](CCC#N)c1ccccc1 ZINC000358331419 382572214 /nfs/dbraw/zinc/57/22/14/382572214.db2.gz SQBUZWLCVPMWRD-VNQPRFMTSA-N 0 1 257.381 2.571 20 30 CFEDMN C[C@@H]1C[N@H+](C)C[C@@H]1N[C@H](CCC#N)c1ccccc1 ZINC000358331415 382572664 /nfs/dbraw/zinc/57/26/64/382572664.db2.gz SQBUZWLCVPMWRD-BMFZPTHFSA-N 0 1 257.381 2.571 20 30 CFEDMN CN(CC(C)(C)C#N)C(=O)C(C#N)CCc1ccccc1 ZINC000353297525 382534034 /nfs/dbraw/zinc/53/40/34/382534034.db2.gz SVNGVOJXYSNTRT-HNNXBMFYSA-N 0 1 283.375 2.767 20 30 CFEDMN C[C@@H](O)C[C@@H]1CCCCN1Cc1cn2ccccc2c1C#N ZINC000319286765 382534613 /nfs/dbraw/zinc/53/46/13/382534613.db2.gz HAQOMYZSIMSYHL-ZBFHGGJFSA-N 0 1 297.402 2.936 20 30 CFEDMN C=CC(C)(C)C(=O)Nc1ccc2nc(N(C)C)[nH]c2c1 ZINC000295252258 382599936 /nfs/dbraw/zinc/59/99/36/382599936.db2.gz QNQKBXCYFUQAQE-UHFFFAOYSA-N 0 1 272.352 2.780 20 30 CFEDMN C=CCC[C@H](C(=O)NCC[N@H+](C)CC)c1ccccc1 ZINC000189498749 382616786 /nfs/dbraw/zinc/61/67/86/382616786.db2.gz INDSCFDVANASID-INIZCTEOSA-N 0 1 274.408 2.804 20 30 CFEDMN C=C(C)C[C@@H](C)C(=O)NCCc1nnc(-c2ccccc2)[nH]1 ZINC000189800693 382641343 /nfs/dbraw/zinc/64/13/43/382641343.db2.gz WWCCKMIJBGYXSR-CYBMUJFWSA-N 0 1 298.390 2.733 20 30 CFEDMN C[C@H](c1cccc(O)c1)N(C)Cc1cc(C#N)n(C)c1 ZINC000191348184 382698781 /nfs/dbraw/zinc/69/87/81/382698781.db2.gz JHLUUKUEJWPYHM-GFCCVEGCSA-N 0 1 269.348 2.795 20 30 CFEDMN C=CCNC(=O)[C@@H](C)N[C@@H](C)c1cc2ccccc2o1 ZINC000191365071 382699164 /nfs/dbraw/zinc/69/91/64/382699164.db2.gz UFTNXSZPZQGMIA-NWDGAFQWSA-N 0 1 272.348 2.774 20 30 CFEDMN C=CCN(CCOC)CC1=Cc2ccccc2OC1 ZINC000191757263 382702458 /nfs/dbraw/zinc/70/24/58/382702458.db2.gz CVSHFLWTWLVTBC-UHFFFAOYSA-N 0 1 259.349 2.597 20 30 CFEDMN Cc1oc(NC(=O)CN(C)C2CCCC2)c(C#N)c1C ZINC000192788232 382712211 /nfs/dbraw/zinc/71/22/11/382712211.db2.gz PIRCNIYBYTVGGL-UHFFFAOYSA-N 0 1 275.352 2.581 20 30 CFEDMN C=CCN1CC[C@H](NC2(c3cccc(Cl)c3)CC2)C1=O ZINC000337182776 382772784 /nfs/dbraw/zinc/77/27/84/382772784.db2.gz NFKZXEJYMRWDEQ-AWEZNQCLSA-N 0 1 290.794 2.706 20 30 CFEDMN CCC[C@H](C)N1C[C@@H](C#N)[C@@]2(C1)c1ccccc1NC2=O ZINC000337315990 382800311 /nfs/dbraw/zinc/80/03/11/382800311.db2.gz KKIBMRMWKJIAOS-AHIWAGSCSA-N 0 1 283.375 2.520 20 30 CFEDMN C[C@@]1(O)CCCN(Cc2cn3ccccc3c2C#N)CC1 ZINC000230375363 382860278 /nfs/dbraw/zinc/86/02/78/382860278.db2.gz FXCFOVFELJODCD-QGZVFWFLSA-N 0 1 283.375 2.548 20 30 CFEDMN CO[C@@]1(C)CCCN(Cc2ccc(F)c(C#N)c2)C1 ZINC000231119978 382864355 /nfs/dbraw/zinc/86/43/55/382864355.db2.gz JYBTVZSKCHIXSL-HNNXBMFYSA-N 0 1 262.328 2.698 20 30 CFEDMN Cc1cc(N2CC[NH+]=C2[O-])ccc1NCc1ccc(C#N)o1 ZINC000441367041 382909759 /nfs/dbraw/zinc/90/97/59/382909759.db2.gz GMIKEGKZLMIVLQ-UHFFFAOYSA-N 0 1 296.330 2.601 20 30 CFEDMN COC(=O)c1cccc(CN2CC[C@@H](C(C)C)C2)c1C#N ZINC000533763076 382910745 /nfs/dbraw/zinc/91/07/45/382910745.db2.gz WSTCGFFAHRKFDG-CYBMUJFWSA-N 0 1 286.375 2.823 20 30 CFEDMN COc1cc(CNCc2ccc(O)c(F)c2)ccc1C#N ZINC000440819379 382885266 /nfs/dbraw/zinc/88/52/66/382885266.db2.gz IXQJOYGORHZBCG-UHFFFAOYSA-N 0 1 286.306 2.701 20 30 CFEDMN C[C@@H](NC(=O)OC(C)(C)C)[C@H]1CCN(CC2(C#N)CC2)C1 ZINC000494955138 382945796 /nfs/dbraw/zinc/94/57/96/382945796.db2.gz RMIAYKWPIWUMQR-OLZOCXBDSA-N 0 1 293.411 2.525 20 30 CFEDMN N#C[C@H]1CC[C@@H](NCc2cccnc2OCC(F)F)C1 ZINC000442820970 382958737 /nfs/dbraw/zinc/95/87/37/382958737.db2.gz CPUVDSVNWNZRBR-CMPLNLGQSA-N 0 1 281.306 2.507 20 30 CFEDMN C=C(C)[C@H]1OCC[C@H]1C(=O)Nc1ccc(F)c(F)c1O ZINC000578840371 382959101 /nfs/dbraw/zinc/95/91/01/382959101.db2.gz FRCVACNIGAZKQL-AMIZOPFISA-N 0 1 283.274 2.590 20 30 CFEDMN C=CCNC(=O)CN1CCC[C@@]1(C)Cc1cccc(F)c1 ZINC000578440465 382921195 /nfs/dbraw/zinc/92/11/95/382921195.db2.gz ZVGZKHGHCSJBIN-KRWDZBQOSA-N 0 1 290.382 2.525 20 30 CFEDMN CC(C)(C)OC(=O)NC[C@](C)(NCC1(C#N)CC1)C1CC1 ZINC000494709008 382921863 /nfs/dbraw/zinc/92/18/63/382921863.db2.gz FVCMFRWGZUJDQW-HNNXBMFYSA-N 0 1 293.411 2.573 20 30 CFEDMN CN1CCN(C(=O)c2ccc(C(C)(C)C#N)cc2)CC1(C)C ZINC000578452623 382923050 /nfs/dbraw/zinc/92/30/50/382923050.db2.gz PQHUWAAGLPVFHU-UHFFFAOYSA-N 0 1 299.418 2.654 20 30 CFEDMN C[C@H](C(=O)NCC1CCCCC1)N1CCC(CC#N)CC1 ZINC000543807192 382973897 /nfs/dbraw/zinc/97/38/97/382973897.db2.gz HJWHNFMAJGLBBE-CQSZACIVSA-N 0 1 291.439 2.697 20 30 CFEDMN C=CCCCN(C)Cc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000444642043 382976156 /nfs/dbraw/zinc/97/61/56/382976156.db2.gz QGMAUIGVDJDLCD-UHFFFAOYSA-N 0 1 274.324 2.869 20 30 CFEDMN COC(=O)[C@@H]1C[C@@H](C)CCN1CCCCC(C)(C)C#N ZINC000444691029 382978077 /nfs/dbraw/zinc/97/80/77/382978077.db2.gz WTMDTFCHQUYSRO-KBPBESRZSA-N 0 1 280.412 2.980 20 30 CFEDMN C=CCN(CC=C)C(=O)C[N@@H+]1CCC[C@@H](C(C)C)C1 ZINC000444754597 382978828 /nfs/dbraw/zinc/97/88/28/382978828.db2.gz UKXWRUOPELPIIT-OAHLLOKOSA-N 0 1 264.413 2.555 20 30 CFEDMN C[C@@H]1CN(Cc2ccc(CC#N)cc2)[C@H](C)[C@@H](C)O1 ZINC000446075249 382987643 /nfs/dbraw/zinc/98/76/43/382987643.db2.gz XAIPREACHXDRBW-MGPQQGTHSA-N 0 1 258.365 2.750 20 30 CFEDMN CN(Cc1cc(C(C)(C)C)[nH]n1)C[C@H](C#N)CCC#N ZINC000447404738 382997268 /nfs/dbraw/zinc/99/72/68/382997268.db2.gz LMRMEXMRRSQEHB-LBPRGKRZSA-N 0 1 273.384 2.583 20 30 CFEDMN C[C@H](C(=O)N(CCC#N)c1ccccc1)N1CCC[C@@H]1C ZINC000245443573 383000995 /nfs/dbraw/zinc/00/09/95/383000995.db2.gz IYMMQFMSHQUJPX-LSDHHAIUSA-N 0 1 285.391 2.806 20 30 CFEDMN CCN(CC)C(=O)OC[C@H]1CCCCN1CCCC#N ZINC000495619035 383004108 /nfs/dbraw/zinc/00/41/08/383004108.db2.gz VYDYTERBMATNJR-CQSZACIVSA-N 0 1 281.400 2.623 20 30 CFEDMN C=CCC1(NC(=O)[C@@H](C)Cc2cnc[nH]2)CCCCC1 ZINC000579374849 383011063 /nfs/dbraw/zinc/01/10/63/383011063.db2.gz QKGXRBJKEJTXEJ-ZDUSSCGKSA-N 0 1 275.396 2.984 20 30 CFEDMN C[C@@H](C#N)CN[C@H](C)[C@@H]1CCCCN1C(=O)OC(C)(C)C ZINC000495915204 383042987 /nfs/dbraw/zinc/04/29/87/383042987.db2.gz WUOXWWDYXPRMLE-MJBXVCDLSA-N 0 1 295.427 2.914 20 30 CFEDMN C=CCCCNC(=O)NC[C@H](c1ccco1)N(CC)CC ZINC000448136421 383046201 /nfs/dbraw/zinc/04/62/01/383046201.db2.gz FLZDPXZYTBBSNC-CQSZACIVSA-N 0 1 293.411 2.928 20 30 CFEDMN CC(C)(C)OC(=O)NC[C@@H](NCC1(C#N)CC1)C(C)(C)C ZINC000495955130 383046784 /nfs/dbraw/zinc/04/67/84/383046784.db2.gz UNBFTJMWQNZZEY-GFCCVEGCSA-N 0 1 295.427 2.819 20 30 CFEDMN C[C@@H]([C@H]1Cc2ccccc2O1)N(C)Cc1ccc(C#N)cn1 ZINC000579727682 383047524 /nfs/dbraw/zinc/04/75/24/383047524.db2.gz UKDMZTZGZWORLC-SCLBCKFNSA-N 0 1 293.370 2.777 20 30 CFEDMN CC(C)(C)OC(=O)N1CC[C@@H](NCC2(C#N)CC2)C1(C)C ZINC000495968394 383049442 /nfs/dbraw/zinc/04/94/42/383049442.db2.gz JIAHPQVGEGBXLY-GFCCVEGCSA-N 0 1 293.411 2.668 20 30 CFEDMN CN(CC(C)(C)C#N)CC1(CNC(=O)OC(C)(C)C)CC1 ZINC000495979357 383050696 /nfs/dbraw/zinc/05/06/96/383050696.db2.gz GIWFYLRIHBZMHS-UHFFFAOYSA-N 0 1 295.427 2.773 20 30 CFEDMN CC(C)C[C@@H](CNC[C@@H](C)C#N)NC(=O)OC(C)(C)C ZINC000496219067 383076684 /nfs/dbraw/zinc/07/66/84/383076684.db2.gz WSMGXKAONDYPAA-STQMWFEESA-N 0 1 283.416 2.675 20 30 CFEDMN C[C@@H]1CCN(Cc2ccc(F)c(C#N)c2)C[C@H]1n1ccnc1 ZINC000245681888 383021874 /nfs/dbraw/zinc/02/18/74/383021874.db2.gz PFXBTFSBZOYYRY-CXAGYDPISA-N 0 1 298.365 2.977 20 30 CFEDMN CC(C)(C)OC(=O)N[C@@H]1CCCN([C@H]2CC[C@@H](C#N)C2)C1 ZINC000495794510 383027917 /nfs/dbraw/zinc/02/79/17/383027917.db2.gz MOHMPYKJVFECSE-MCIONIFRSA-N 0 1 293.411 2.668 20 30 CFEDMN CC(C)(C)OC(=O)N1CCC[C@H](CCNCCC#N)C1 ZINC000496601658 383121400 /nfs/dbraw/zinc/12/14/00/383121400.db2.gz AVHVKRLIQOHEOM-CYBMUJFWSA-N 0 1 281.400 2.527 20 30 CFEDMN N#CCC[C@H](C#N)CN1CC[C@H](Cc2ccccc2)C1 ZINC000246587678 383084084 /nfs/dbraw/zinc/08/40/84/383084084.db2.gz FQJHLSVGJAICEU-IAGOWNOFSA-N 0 1 267.376 2.995 20 30 CFEDMN CCCO[C@H]1CCCN(C[C@@H](C#N)CCC#N)CC1 ZINC000246640714 383088670 /nfs/dbraw/zinc/08/86/70/383088670.db2.gz XIBFBBQUFNDISF-CABCVRRESA-N 0 1 263.385 2.711 20 30 CFEDMN C=CCNC(=O)[C@H](C)[N@H+]1CC[C@@H](c2ccccc2)[C@H](C)C1 ZINC000247115604 383145107 /nfs/dbraw/zinc/14/51/07/383145107.db2.gz YPNAGGONYTZDPT-HLLBOEOZSA-N 0 1 286.419 2.803 20 30 CFEDMN COc1cccc(C=C(C)c2nc(C)c(C#N)c(=O)[nH]2)c1F ZINC000588619009 383119175 /nfs/dbraw/zinc/11/91/75/383119175.db2.gz PABBTTNDJLYYCX-CLFYSBASSA-N 0 1 299.305 2.658 20 30 CFEDMN C[C@H]1CN(CCOc2cccc(C#N)c2)CC2(CCC2)O1 ZINC000517233772 383170856 /nfs/dbraw/zinc/17/08/56/383170856.db2.gz BLDJYFOQBDPICG-AWEZNQCLSA-N 0 1 286.375 2.580 20 30 CFEDMN C=CCCCC[C@@H](C)NCc1nnnn1-c1ccccc1 ZINC000449103131 383175825 /nfs/dbraw/zinc/17/58/25/383175825.db2.gz OTGWRKAYBRWARO-CQSZACIVSA-N 0 1 285.395 2.887 20 30 CFEDMN COc1ccc(F)cc1CN1CCC(CC#N)CC1 ZINC000565795678 383181976 /nfs/dbraw/zinc/18/19/76/383181976.db2.gz PHICHGFLXVOABE-UHFFFAOYSA-N 0 1 262.328 2.960 20 30 CFEDMN CCN(CCCN(C)c1ccccc1)C[C@@H](C)C#N ZINC000566156678 383184725 /nfs/dbraw/zinc/18/47/25/383184725.db2.gz IFFPKUKKIKRFQS-HNNXBMFYSA-N 0 1 259.397 2.994 20 30 CFEDMN C[C@H](Cc1ccccc1[N+](=O)[O-])N[C@H]1CCC[C@@H]1C#N ZINC000449239433 383185697 /nfs/dbraw/zinc/18/56/97/383185697.db2.gz JMCDCTVIAPVGHV-BNOWGMLFSA-N 0 1 273.336 2.808 20 30 CFEDMN C=C(C)COCCNCc1cc(OC)ccc1F ZINC000339298527 383190167 /nfs/dbraw/zinc/19/01/67/383190167.db2.gz YOMMHKWNWODVIN-UHFFFAOYSA-N 0 1 253.317 2.517 20 30 CFEDMN C=CCCO[C@@H](C)c1nc([C@@H](N)CC(C)C)no1 ZINC000339366208 383191964 /nfs/dbraw/zinc/19/19/64/383191964.db2.gz LWMBBXHHCGYVJI-QWRGUYRKSA-N 0 1 253.346 2.769 20 30 CFEDMN N#CCCNCCCO[C@@H]1CCCc2ccccc21 ZINC000515347301 383159604 /nfs/dbraw/zinc/15/96/04/383159604.db2.gz BGMCPJLCBIPALI-MRXNPFEDSA-N 0 1 258.365 2.974 20 30 CFEDMN C=CCCCNc1nc(C(F)(F)F)nc2[nH]cnc21 ZINC000562634196 383161209 /nfs/dbraw/zinc/16/12/09/383161209.db2.gz PLMGKPSDUJRNSA-UHFFFAOYSA-N 0 1 271.246 2.701 20 30 CFEDMN Cc1ccc([C@@H]2OCCC[C@@H]2CNCCC#N)cc1 ZINC000562989353 383164115 /nfs/dbraw/zinc/16/41/15/383164115.db2.gz IIXPUUPQSGZYQD-CVEARBPZSA-N 0 1 258.365 2.966 20 30 CFEDMN C[C@H](COc1ccc(F)cc1F)NC[C@H](C#N)CCC#N ZINC000562988322 383164368 /nfs/dbraw/zinc/16/43/68/383164368.db2.gz YJKFOXCXOPXYHP-NEPJUHHUSA-N 0 1 293.317 2.765 20 30 CFEDMN C=CCN(C[C@@H]1CCC[C@@H](CC)C1)[C@H]1CCS(=O)(=O)C1 ZINC000248494155 383250482 /nfs/dbraw/zinc/25/04/82/383250482.db2.gz PREOOYHDAYRFOL-OAGGEKHMSA-N 0 1 299.480 2.878 20 30 CFEDMN C=C(C)C(C)(C)C(=O)N1CCN(CCOC)[C@@H](CCC)C1 ZINC000424753790 383252014 /nfs/dbraw/zinc/25/20/14/383252014.db2.gz ZGOIYXPPFGNAEN-HNNXBMFYSA-N 0 1 296.455 2.548 20 30 CFEDMN C=CCOc1ccc(CN(C(C)C)C2COC2)cc1 ZINC000449351395 383233411 /nfs/dbraw/zinc/23/34/11/383233411.db2.gz OZYJHQVWUFLMAL-UHFFFAOYSA-N 0 1 261.365 2.861 20 30 CFEDMN C[C@H]1CN2CCCC[C@@H]2CN1c1ncc2c(c1C#N)CCC2 ZINC000425228429 383344220 /nfs/dbraw/zinc/34/42/20/383344220.db2.gz KDWTUZMTBGXTMU-DZGCQCFKSA-N 0 1 296.418 2.505 20 30 CFEDMN C[C@@H]1CCC[C@H]1NCc1c(C#N)cccc1[N+](=O)[O-] ZINC000459416724 383288181 /nfs/dbraw/zinc/28/81/81/383288181.db2.gz HHMINMGNRQKIJQ-ZWNOBZJWSA-N 0 1 259.309 2.745 20 30 CFEDMN CC#CCN(C)Cc1nc2ccc(Br)cc2[nH]1 ZINC000339755302 383306355 /nfs/dbraw/zinc/30/63/55/383306355.db2.gz FPKUZRYUOAHBSS-UHFFFAOYSA-N 0 1 292.180 2.781 20 30 CFEDMN COc1cncc(/C=C\CCN(C)C[C@@H](C)C#N)c1 ZINC000567759877 383313799 /nfs/dbraw/zinc/31/37/99/383313799.db2.gz FFTSNZQNOGLULU-AGLBCWCQSA-N 0 1 259.353 2.585 20 30 CFEDMN C=C(C)CCNCc1cn(-c2ccccc2C)nn1 ZINC000449478324 383319724 /nfs/dbraw/zinc/31/97/24/383319724.db2.gz RLTCDDXDVCMDKX-UHFFFAOYSA-N 0 1 256.353 2.632 20 30 CFEDMN C=CCOc1cccc(CN[C@@H](CO)CC(F)(F)F)c1 ZINC000339794770 383320644 /nfs/dbraw/zinc/32/06/44/383320644.db2.gz LMJXPPAZHLCVOA-GFCCVEGCSA-N 0 1 289.297 2.654 20 30 CFEDMN CC1=CCN(CCNc2cccc(C#N)c2[N+](=O)[O-])CC1 ZINC000450434872 383410014 /nfs/dbraw/zinc/41/00/14/383410014.db2.gz BSXJXJSPZLWZDX-UHFFFAOYSA-N 0 1 286.335 2.530 20 30 CFEDMN C=CCC[C@H](CO)NCc1nc2c(s1)C[C@@H](C)CC2 ZINC000449698833 383362075 /nfs/dbraw/zinc/36/20/75/383362075.db2.gz PDHGLIBKOQBXQW-NWDGAFQWSA-N 0 1 280.437 2.685 20 30 CFEDMN C=CCC[C@@H](CO)NCc1coc(-c2ccccc2)n1 ZINC000449699952 383362467 /nfs/dbraw/zinc/36/24/67/383362467.db2.gz RUJODIRCKMHECU-AWEZNQCLSA-N 0 1 272.348 2.758 20 30 CFEDMN C[C@@H]1CCCN(CC(=O)Nc2ccc(C#N)cc2)[C@H]1C ZINC000250576857 383377712 /nfs/dbraw/zinc/37/77/12/383377712.db2.gz ZVFUQSDHWLMOGO-OLZOCXBDSA-N 0 1 271.364 2.617 20 30 CFEDMN C[C@H]1CCCN(CC(=O)Nc2ccc(C#N)cc2)[C@H]1C ZINC000250576861 383377820 /nfs/dbraw/zinc/37/78/20/383377820.db2.gz ZVFUQSDHWLMOGO-STQMWFEESA-N 0 1 271.364 2.617 20 30 CFEDMN N#Cc1ccccc1N1CCC[N@H+](CC2(F)CC2)CC1 ZINC000525978799 383415031 /nfs/dbraw/zinc/41/50/31/383415031.db2.gz KWIKMMYRVWROIZ-UHFFFAOYSA-N 0 1 273.355 2.572 20 30 CFEDMN N#Cc1ccccc1N1CCCN(CC2(F)CC2)CC1 ZINC000525978799 383415034 /nfs/dbraw/zinc/41/50/34/383415034.db2.gz KWIKMMYRVWROIZ-UHFFFAOYSA-N 0 1 273.355 2.572 20 30 CFEDMN C=C(C)CN(C)CC(=O)N[C@@H](C)c1ccc(CC)cc1 ZINC000481228688 383424096 /nfs/dbraw/zinc/42/40/96/383424096.db2.gz NNSJBYLBTHQTRB-AWEZNQCLSA-N 0 1 274.408 2.934 20 30 CFEDMN Cc1cccc([C@@H]2CCCN2CC(=O)NC2(C#N)CCC2)c1 ZINC000526135938 383433794 /nfs/dbraw/zinc/43/37/94/383433794.db2.gz XCFLRZFCIZEWGW-INIZCTEOSA-N 0 1 297.402 2.694 20 30 CFEDMN C[C@@]1(CCCO)CCCN1Cc1cccc(F)c1C#N ZINC000428300438 383446429 /nfs/dbraw/zinc/44/64/29/383446429.db2.gz MIKHWOWENYXYBM-INIZCTEOSA-N 0 1 276.355 2.824 20 30 CFEDMN CN(Cc1cccc(F)c1C#N)[C@@H](CO)C(C)(C)C ZINC000428394416 383466212 /nfs/dbraw/zinc/46/62/12/383466212.db2.gz UYKALFNSZIGUNI-AWEZNQCLSA-N 0 1 264.344 2.536 20 30 CFEDMN Cc1cccc2nc(CCC(=O)N[C@@]3(C#N)CC3(C)C)[nH]c21 ZINC000427882386 383417021 /nfs/dbraw/zinc/41/70/21/383417021.db2.gz ATRFCLOQDQQHFR-QGZVFWFLSA-N 0 1 296.374 2.612 20 30 CFEDMN CC[C@H](C(=O)N[C@@]1(C#N)CC1(C)C)N(C)Cc1ccccc1 ZINC000427897465 383417659 /nfs/dbraw/zinc/41/76/59/383417659.db2.gz RIBBIWNXBHHJRK-CRAIPNDOSA-N 0 1 299.418 2.705 20 30 CFEDMN C=C[C@H]1CCCCN1C(=O)c1n[nH]c(C(C)C)c1[N+](=O)[O-] ZINC000428042702 383419867 /nfs/dbraw/zinc/41/98/67/383419867.db2.gz NBBDRDUFVXAPIG-JTQLQIEISA-N 0 1 292.339 2.622 20 30 CFEDMN C=C(C)[C@H](NC[C@@](C)(O)C(C)=O)c1ccc(F)c(F)c1 ZINC000450779242 383489187 /nfs/dbraw/zinc/48/91/87/383489187.db2.gz OMASFIKXGRHEPO-LSDHHAIUSA-N 0 1 283.318 2.512 20 30 CFEDMN C=CCCCCCN1CCN(C(=O)NC(C)(C)C)CC1 ZINC000488078029 383494184 /nfs/dbraw/zinc/49/41/84/383494184.db2.gz RXHLFMAUUSUNSO-UHFFFAOYSA-N 0 1 281.444 2.859 20 30 CFEDMN Cc1cc(C)c(C(=O)[C@@H](C#N)c2cc(C)nc(C)n2)o1 ZINC000429348474 383521646 /nfs/dbraw/zinc/52/16/46/383521646.db2.gz WTBLJTBYSHSABV-LBPRGKRZSA-N 0 1 269.304 2.793 20 30 CFEDMN Cc1cc(C)c(C(=O)C(C#N)c2cc(C)nc(C)n2)o1 ZINC000429348474 383521648 /nfs/dbraw/zinc/52/16/48/383521648.db2.gz WTBLJTBYSHSABV-LBPRGKRZSA-N 0 1 269.304 2.793 20 30 CFEDMN C=CCOCCCN1[C@H](C)CN(C(=O)C(C)(C)C)C[C@H]1C ZINC000429385448 383525943 /nfs/dbraw/zinc/52/59/43/383525943.db2.gz KZWBKUHAYVVCNB-HUUCEWRRSA-N 0 1 296.455 2.546 20 30 CFEDMN C=CCCCCCNC(=O)[C@H]1NCCc2ccccc21 ZINC000569707894 383530838 /nfs/dbraw/zinc/53/08/38/383530838.db2.gz LXNCJPBJSWTZNX-INIZCTEOSA-N 0 1 272.392 2.736 20 30 CFEDMN COCCC1CCN(CC#Cc2ccccc2)CC1 ZINC000528576941 383583249 /nfs/dbraw/zinc/58/32/49/383583249.db2.gz HIHHYNJUWLRBGU-UHFFFAOYSA-N 0 1 257.377 2.787 20 30 CFEDMN N#CCC1(CNCc2ccc([N+](=O)[O-])cc2F)CC1 ZINC000430041937 383586173 /nfs/dbraw/zinc/58/61/73/383586173.db2.gz BENULHYGLLOOKT-UHFFFAOYSA-N 0 1 263.272 2.517 20 30 CFEDMN CCC[C@@H](C)[C@@H](CO)NCc1cccc(F)c1C#N ZINC000570573028 383614869 /nfs/dbraw/zinc/61/48/69/383614869.db2.gz FIYHXBVQTSGZDM-IAQYHMDHSA-N 0 1 264.344 2.584 20 30 CFEDMN C=CC[C@H](Cc1ccccc1)NC(=O)[C@H](C)Cc1cnc[nH]1 ZINC000570695921 383627261 /nfs/dbraw/zinc/62/72/61/383627261.db2.gz GHJRFZAFCMPTQM-GDBMZVCRSA-N 0 1 297.402 2.892 20 30 CFEDMN C[C@@H]1CCN(Cc2ncc(C#N)cn2)[C@H]2CCCC[C@@H]12 ZINC000570786121 383633669 /nfs/dbraw/zinc/63/36/69/383633669.db2.gz FEFQNUIGLJJUJA-SNPRPXQTSA-N 0 1 270.380 2.749 20 30 CFEDMN Cc1cc(C(C#N)C(=O)[C@@H]2CCCC23CC3)nc(C)n1 ZINC000528918169 383676081 /nfs/dbraw/zinc/67/60/81/383676081.db2.gz OEVXFCYZRSCBOG-OLZOCXBDSA-N 0 1 269.348 2.850 20 30 CFEDMN C=CCN(Cc1cccc([N+](=O)[O-])c1)C[C@H](O)C(C)C ZINC000432927993 383751939 /nfs/dbraw/zinc/75/19/39/383751939.db2.gz PKAUILKNQBCWKJ-HNNXBMFYSA-N 0 1 278.352 2.600 20 30 CFEDMN C=CCCC(C)(C)CNC(=O)[C@@H]1C[C@H]1c1cnc[nH]1 ZINC000636311785 383761556 /nfs/dbraw/zinc/76/15/56/383761556.db2.gz YPLXQKNZCZAQMM-VXGBXAGGSA-N 0 1 261.369 2.622 20 30 CFEDMN N#CCOc1ccc(CSc2nc(C3CC3)n[nH]2)cc1 ZINC000264738017 383778514 /nfs/dbraw/zinc/77/85/14/383778514.db2.gz MAVCKACAZJYLKB-UHFFFAOYSA-N 0 1 286.360 2.877 20 30 CFEDMN N#CCOc1ccc(CSc2n[nH]c(C3CC3)n2)cc1 ZINC000264738017 383778517 /nfs/dbraw/zinc/77/85/17/383778517.db2.gz MAVCKACAZJYLKB-UHFFFAOYSA-N 0 1 286.360 2.877 20 30 CFEDMN C=CCC[C@H](O)C[N@@H+](CC(=O)[O-])[C@@H](CC)c1ccccc1 ZINC000572782031 383817681 /nfs/dbraw/zinc/81/76/81/383817681.db2.gz HJFZNFZKLLZCEA-HOTGVXAUSA-N 0 1 291.391 2.851 20 30 CFEDMN CC[C@H](N[C@H](C)c1ccc(C#N)cc1F)[C@H](O)C(F)F ZINC000453267217 383824377 /nfs/dbraw/zinc/82/43/77/383824377.db2.gz HLQUWHNNCMAPGS-JCOFBHIZSA-N 0 1 286.297 2.753 20 30 CFEDMN C=CCN1CC[C@H](NC2(c3ccccc3F)CCC2)C1=O ZINC000646024898 383825186 /nfs/dbraw/zinc/82/51/86/383825186.db2.gz WPQTXQNVQPLTOJ-HNNXBMFYSA-N 0 1 288.366 2.581 20 30 CFEDMN Cc1ccc2nc(NC(=O)C3(C#N)CC(C)C3)[nH]c2c1 ZINC000572508522 383788680 /nfs/dbraw/zinc/78/86/80/383788680.db2.gz FPXZZPYATGPZLZ-UHFFFAOYSA-N 0 1 268.320 2.750 20 30 CFEDMN C=C(CNCc1c(Cl)cnn1C)c1ccccc1 ZINC000436233747 383790416 /nfs/dbraw/zinc/79/04/16/383790416.db2.gz UCRDYBJUIXYGKV-UHFFFAOYSA-N 0 1 261.756 2.877 20 30 CFEDMN CC[C@@H](O)[C@@H]1CCCCN1Cc1cc(C#N)ccc1F ZINC000265163866 383849840 /nfs/dbraw/zinc/84/98/40/383849840.db2.gz CGJKRXHSFWQLIA-JKSUJKDBSA-N 0 1 276.355 2.823 20 30 CFEDMN CCC(=O)c1ccc(O)c(NC(=O)[C@@](C)(C#N)CC)c1 ZINC000436649918 383863694 /nfs/dbraw/zinc/86/36/94/383863694.db2.gz XXQJMMINFDYGOV-OAHLLOKOSA-N 0 1 274.320 2.863 20 30 CFEDMN C=CCCCCNC(=O)Nc1cc(CN(C)C)ccn1 ZINC000640571960 383835042 /nfs/dbraw/zinc/83/50/42/383835042.db2.gz XUJGHCWFMQCWLQ-UHFFFAOYSA-N 0 1 276.384 2.621 20 30 CFEDMN C=CCN(CC=C)C(=O)[C@H](C)N1CC[C@@H]1Cc1ccccc1 ZINC000437828385 383911458 /nfs/dbraw/zinc/91/14/58/383911458.db2.gz LMHUAYGJBJKOEY-FUHWJXTLSA-N 0 1 298.430 2.893 20 30 CFEDMN C=CCC1(C(=O)N[C@@H]2CCc3nc[nH]c3C2)CCCCC1 ZINC000573435934 383928284 /nfs/dbraw/zinc/92/82/84/383928284.db2.gz OWXNKCJGEWXPID-CYBMUJFWSA-N 0 1 287.407 2.910 20 30 CFEDMN C=CCCCN1Cc2c(OC)ccc(OC)c2[C@@H](O)C1 ZINC000265288456 383885080 /nfs/dbraw/zinc/88/50/80/383885080.db2.gz AEFCOLFYKLGGON-ZDUSSCGKSA-N 0 1 277.364 2.519 20 30 CFEDMN N#C[C@H](NC(=O)c1c(O)cccc1F)c1ccccc1F ZINC000436986834 383900053 /nfs/dbraw/zinc/90/00/53/383900053.db2.gz HGVZDQMFYILLNX-LBPRGKRZSA-N 0 1 288.253 2.665 20 30 CFEDMN CCO[C@@H]1C[C@@H]([N@@H+](C)Cc2ccc(C#N)cn2)C1(C)C ZINC000573665348 383968602 /nfs/dbraw/zinc/96/86/02/383968602.db2.gz PZRLWKZMYKGBBJ-HUUCEWRRSA-N 0 1 273.380 2.589 20 30 CFEDMN CCO[C@@H]1C[C@@H](N(C)Cc2ccc(C#N)cn2)C1(C)C ZINC000573665348 383968608 /nfs/dbraw/zinc/96/86/08/383968608.db2.gz PZRLWKZMYKGBBJ-HUUCEWRRSA-N 0 1 273.380 2.589 20 30 CFEDMN C=CC(C)(C)CCNC(=O)N[C@H](C)c1n[nH]c(C(C)C)n1 ZINC000637322587 384028837 /nfs/dbraw/zinc/02/88/37/384028837.db2.gz ZCGRUWCOAQMKRE-LLVKDONJSA-N 0 1 293.415 2.891 20 30 CFEDMN C=CCOc1cccc(NC(=O)[C@H](C)Cc2cnc[nH]2)c1 ZINC000574052243 384038858 /nfs/dbraw/zinc/03/88/58/384038858.db2.gz YJPMBKSJAZJQAR-GFCCVEGCSA-N 0 1 285.347 2.792 20 30 CFEDMN C[C@@H]1C[C@@H](C)N(CC(=O)Nc2ccc(C#N)c(Cl)c2)C1 ZINC000532970331 384087980 /nfs/dbraw/zinc/08/79/80/384087980.db2.gz HMRKOOLNTCVZLN-GHMZBOCLSA-N 0 1 291.782 2.880 20 30 CFEDMN C=CCOCCCN(C)Cc1cnc(C(C)C)nc1 ZINC000440489333 384088268 /nfs/dbraw/zinc/08/82/68/384088268.db2.gz SJTFVHCKLZHYQF-UHFFFAOYSA-N 0 1 263.385 2.625 20 30 CFEDMN C[C@@H](NCc1ccc(C#N)o1)c1ccc2c(c1)CC(=O)N2C ZINC000266173687 384103686 /nfs/dbraw/zinc/10/36/86/384103686.db2.gz DBBYCCODBZSBIQ-LLVKDONJSA-N 0 1 295.342 2.521 20 30 CFEDMN COc1ccc(C#N)cc1CN1CCC(OC(C)C)CC1 ZINC000533017305 384094354 /nfs/dbraw/zinc/09/43/54/384094354.db2.gz UYLPJZXOUMDCEP-UHFFFAOYSA-N 0 1 288.391 2.956 20 30 CFEDMN N#Cc1ccc(CN2CCC[C@H](c3ccncc3)C2)nc1 ZINC000574766794 384144024 /nfs/dbraw/zinc/14/40/24/384144024.db2.gz RYLXOVYXTSTUKQ-INIZCTEOSA-N 0 1 278.359 2.728 20 30 CFEDMN CCCN(CC)Cc1nnc(-c2ccc(C#N)cc2)o1 ZINC000266564182 384199013 /nfs/dbraw/zinc/19/90/13/384199013.db2.gz YWJFILJDYATROY-UHFFFAOYSA-N 0 1 270.336 2.840 20 30 CFEDMN C=CCN(CC=C)C(=O)[C@@H](N)c1ccc(C(F)(F)F)cc1 ZINC000637869241 384237132 /nfs/dbraw/zinc/23/71/32/384237132.db2.gz JMXUAQAOTNRDBL-ZDUSSCGKSA-N 0 1 298.308 2.906 20 30 CFEDMN C#CCN(CC)Cc1cc(=O)oc2c(C)c(C)ccc12 ZINC000266882491 384252199 /nfs/dbraw/zinc/25/21/99/384252199.db2.gz AMGJTIDJJLKUOF-UHFFFAOYSA-N 0 1 269.344 2.865 20 30 CFEDMN N#Cc1cccc(CN2CCC[C@H]([C@H](O)C(F)(F)F)C2)c1 ZINC000277632530 384359640 /nfs/dbraw/zinc/35/96/40/384359640.db2.gz BKIIZFMGXSLTQX-KBPBESRZSA-N 0 1 298.308 2.693 20 30 CFEDMN CC[C@@H](C)c1nc([C@H](C)NCc2ccc(C#N)o2)n[nH]1 ZINC000277542239 384332105 /nfs/dbraw/zinc/33/21/05/384332105.db2.gz ZIOFIGMHMIGGCR-ZJUUUORDSA-N 0 1 273.340 2.634 20 30 CFEDMN CC#CC[C@@H](CO)NCc1cccc(Cl)c1OCC ZINC000641768298 384334388 /nfs/dbraw/zinc/33/43/88/384334388.db2.gz ZDRZLTBBGVOQKX-ZDUSSCGKSA-N 0 1 281.783 2.603 20 30 CFEDMN C=C(C)CN(Cc1ccccc1)C(=O)c1cc(C)[nH]n1 ZINC000279970163 384832273 /nfs/dbraw/zinc/83/22/73/384832273.db2.gz KUSRJCZISRFHHZ-UHFFFAOYSA-N 0 1 269.348 2.937 20 30 CFEDMN C#CCCCN1CCC[C@@H]1c1nc(C(=O)OC)c(C)s1 ZINC000280339852 384981657 /nfs/dbraw/zinc/98/16/57/384981657.db2.gz HRSFAHHJSWCDLD-GFCCVEGCSA-N 0 1 292.404 2.788 20 30 CFEDMN C[C@@H](NC(=O)c1cc2[nH]cnc2cc1F)C1CCOCC1 ZINC000329213544 533104194 /nfs/dbraw/zinc/10/41/94/533104194.db2.gz JPUZLNIAOBYLQW-SECBINFHSA-N 0 1 291.326 2.822 20 30 CFEDMN Cc1n[nH]c(C(F)F)c1NC(=O)c1cc(C#N)oc1C ZINC000280779762 385150573 /nfs/dbraw/zinc/15/05/73/385150573.db2.gz AZTVKLIPCBOVKL-UHFFFAOYSA-N 0 1 280.234 2.681 20 30 CFEDMN COCC#CCN1CC[C@H](c2cccc(Cl)c2)C1 ZINC000645021669 385164324 /nfs/dbraw/zinc/16/43/24/385164324.db2.gz ASDPFVPURBTWGW-AWEZNQCLSA-N 0 1 263.768 2.779 20 30 CFEDMN CO[C@H]1CCN(Cc2ccc(C#N)s2)[C@H](C)C1 ZINC000282357725 385292898 /nfs/dbraw/zinc/29/28/98/385292898.db2.gz POPAIWJYFGPLRS-MNOVXSKESA-N 0 1 250.367 2.619 20 30 CFEDMN C#CCCCN1CCN(C(=O)CCCc2ccccc2)CC1 ZINC000270996650 385296086 /nfs/dbraw/zinc/29/60/86/385296086.db2.gz FLHJPASTPQUHEB-UHFFFAOYSA-N 0 1 298.430 2.567 20 30 CFEDMN CC1(C)SC[C@@H]1NCc1ccc(C#N)cc1F ZINC000282586061 385346304 /nfs/dbraw/zinc/34/63/04/385346304.db2.gz BWCQHWZPEJEKDC-LBPRGKRZSA-N 0 1 250.342 2.681 20 30 CFEDMN Cc1cccc2nc([C@@H](C#N)C(=O)NC3CCCCC3)[nH]c21 ZINC000271070154 385327603 /nfs/dbraw/zinc/32/76/03/385327603.db2.gz FAEQASZIKSNQHQ-CYBMUJFWSA-N 0 1 296.374 2.927 20 30 CFEDMN C[C@@H](N[C@H](C)c1ccc(C#N)c(F)c1)C(=O)NC(C)(C)C ZINC000271933633 385404747 /nfs/dbraw/zinc/40/47/47/385404747.db2.gz JHRVANLTLFGWBH-GHMZBOCLSA-N 0 1 291.370 2.651 20 30 CFEDMN C=C(C)COc1cc(CNC2(C)COC2)ccc1OC ZINC000639382531 385499071 /nfs/dbraw/zinc/49/90/71/385499071.db2.gz REPLJNARDGVEFW-UHFFFAOYSA-N 0 1 277.364 2.529 20 30 CFEDMN N#Cc1cc(CN2CCC[C@H]2[C@H]2CCCO2)ccc1F ZINC000283950121 385518268 /nfs/dbraw/zinc/51/82/68/385518268.db2.gz ALUODQVOXXPZCS-JKSUJKDBSA-N 0 1 274.339 2.841 20 30 CFEDMN C=CCc1cc(CN2CC(C)(C)C2)cc(OC)c1O ZINC000639404915 385518495 /nfs/dbraw/zinc/51/84/95/385518495.db2.gz JLHKMLWKCZNFPV-UHFFFAOYSA-N 0 1 261.365 2.971 20 30 CFEDMN C=C1CC(C)(C(=O)Nc2nc(-c3ccccc3OC)n[nH]2)C1 ZINC000639538652 385576615 /nfs/dbraw/zinc/57/66/15/385576615.db2.gz ZOLHMIFYPLSLOP-UHFFFAOYSA-N 0 1 298.346 2.775 20 30 CFEDMN CN(Cc1cc(C#N)ccc1F)C[C@@H]1CCCC[C@@H]1O ZINC000272545847 385562242 /nfs/dbraw/zinc/56/22/42/385562242.db2.gz OFUXXASFRVVQJI-BBRMVZONSA-N 0 1 276.355 2.680 20 30 CFEDMN C=CCN(CCc1ccco1)Cc1ccc(C#N)o1 ZINC000272620514 385577669 /nfs/dbraw/zinc/57/76/69/385577669.db2.gz LVDFMQDGUFPQAA-UHFFFAOYSA-N 0 1 256.305 2.975 20 30 CFEDMN C=C(C)C[N@H+]1CC[C@@H](c2ccc3cccnc3n2)C1 ZINC000639793993 385712700 /nfs/dbraw/zinc/71/27/00/385712700.db2.gz QKVANECQIHRYJC-CQSZACIVSA-N 0 1 253.349 2.995 20 30 CFEDMN C=CC[C@@H]1CCCN(CC(=O)Nc2ccnn2CCC)C1 ZINC000639798991 385715327 /nfs/dbraw/zinc/71/53/27/385715327.db2.gz UEHNYPLEOQBAFN-CQSZACIVSA-N 0 1 290.411 2.520 20 30 CFEDMN C=C(C)C[C@@H](C)C(=O)Nc1ccn(-c2ccncc2)n1 ZINC000274318135 385765344 /nfs/dbraw/zinc/76/53/44/385765344.db2.gz FOXWEVKNXSMDHX-GFCCVEGCSA-N 0 1 270.336 2.808 20 30 CFEDMN C#CCN(C(=O)c1cc(C2CCCCC2)[nH]n1)C1CC1 ZINC000274107866 385719890 /nfs/dbraw/zinc/71/98/90/385719890.db2.gz QITQOXNWYXHAFV-UHFFFAOYSA-N 0 1 271.364 2.695 20 30 CFEDMN C=CCCCCNC(=O)c1sccc1CN(C)C ZINC000274527124 385817801 /nfs/dbraw/zinc/81/78/01/385817801.db2.gz CGFGZEBGTVVIAC-UHFFFAOYSA-N 0 1 266.410 2.896 20 30 CFEDMN C=C(C)[C@@H](NC(=O)[C@@H]1CCCN1C)c1ccc(F)c(F)c1 ZINC000274626487 385837069 /nfs/dbraw/zinc/83/70/69/385837069.db2.gz MMLSYZSLGDCAGF-LSDHHAIUSA-N 0 1 294.345 2.792 20 30 CFEDMN C=C(C)CCN1CCOC[C@H]1C[C@@H](O)c1ccccc1 ZINC000274792021 385872008 /nfs/dbraw/zinc/87/20/08/385872008.db2.gz OIHVBZXBVPJDJV-IAGOWNOFSA-N 0 1 275.392 2.777 20 30 CFEDMN C=CCCN1CCC(O)(c2c(F)cccc2F)CC1 ZINC000275130341 385942533 /nfs/dbraw/zinc/94/25/33/385942533.db2.gz RVVHLIOWIPYUOD-UHFFFAOYSA-N 0 1 267.319 2.824 20 30 CFEDMN Cn1cc(CN2CCC[C@H]2c2ccc[nH]2)cc1C#N ZINC000276750714 386033724 /nfs/dbraw/zinc/03/37/24/386033724.db2.gz KZUGDZNVLWEDPK-HNNXBMFYSA-N 0 1 254.337 2.562 20 30 CFEDMN CC[C@H](C)c1nc([C@H](C)NC(=O)C#Cc2ccccc2)n[nH]1 ZINC000277102898 386130973 /nfs/dbraw/zinc/13/09/73/386130973.db2.gz QNVSVVUYYRZTBI-STQMWFEESA-N 0 1 296.374 2.547 20 30 CFEDMN C=CCCOCC(=O)Nc1cc(F)cc(Cl)c1O ZINC000681201539 542423248 /nfs/dbraw/zinc/42/32/48/542423248.db2.gz WVWZXSRFSFNKMW-UHFFFAOYSA-N 0 1 273.691 2.716 20 30 CFEDMN C=CCN1CC[C@@H](N(C)[C@@H]2CCc3ccc(F)cc32)C1=O ZINC000281256693 195170825 /nfs/dbraw/zinc/17/08/25/195170825.db2.gz HETDLGUCFHNQGJ-HZPDHXFCSA-N 0 1 288.366 2.532 20 30 CFEDMN C=CCN1CC[C@@H](N(C)Cc2cc(C)ccc2C)C1=O ZINC000281363507 195211240 /nfs/dbraw/zinc/21/12/40/195211240.db2.gz UZHLCWREBDQRNX-MRXNPFEDSA-N 0 1 272.392 2.522 20 30 CFEDMN C=CC[C@H](CO)[NH2+][C@@H](C)c1cc(Cl)ccc1[O-] ZINC000186687733 260004754 /nfs/dbraw/zinc/00/47/54/260004754.db2.gz YAHXEYADBXSBMA-GXSJLCMTSA-N 0 1 255.745 2.633 20 30 CFEDMN CCC#C[C@H](C)N1CCC[C@@](OC)(C(F)(F)F)C1 ZINC000682040548 542508408 /nfs/dbraw/zinc/50/84/08/542508408.db2.gz MAVXFGDKVXYLEO-RYUDHWBXSA-N 0 1 263.303 2.832 20 30 CFEDMN CC#CCN1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H](CC)CCCCC ZINC001115273118 781979249 /nfs/dbraw/zinc/97/92/49/781979249.db2.gz FQICQXHPRJEGOR-MWDXBVQZSA-N 0 1 290.451 2.663 20 30 CFEDMN C=CCNC(=O)CN[C@@H]1CCSc2cc(C)c(C)cc21 ZINC000187488324 260038672 /nfs/dbraw/zinc/03/86/72/260038672.db2.gz NMJVMYDPDIJTMU-CQSZACIVSA-N 0 1 290.432 2.732 20 30 CFEDMN CO[C@@H]1CCN(Cc2cc(C#N)ccc2F)[C@@H](C)C1 ZINC000281650726 195323043 /nfs/dbraw/zinc/32/30/43/195323043.db2.gz JXQUJFMEXZCVBF-SMDDNHRTSA-N 0 1 262.328 2.697 20 30 CFEDMN CO[C@H]1CCN(Cc2cn3ccccc3c2C#N)[C@@H](C)C1 ZINC000281743117 195361149 /nfs/dbraw/zinc/36/11/49/195361149.db2.gz QNVATCZRJQGPLD-ZFWWWQNUSA-N 0 1 283.375 2.810 20 30 CFEDMN CCC(CC)[C@H](C)C(=O)N=c1[nH]n(C(C)(C)C)cc1C#N ZINC000341813066 130073575 /nfs/dbraw/zinc/07/35/75/130073575.db2.gz PRFWKMAJHPROOW-NSHDSACASA-N 0 1 290.411 2.942 20 30 CFEDMN Cc1cnn(CCN[C@@H](C)c2ccc(C#N)cc2F)c1 ZINC000341898691 130140426 /nfs/dbraw/zinc/14/04/26/130140426.db2.gz FEHOWZQPDQWOSQ-LBPRGKRZSA-N 0 1 272.327 2.553 20 30 CFEDMN COc1cc([C@H](C)NCc2ccc(C#N)c(OC)c2)ccn1 ZINC000342288380 130418045 /nfs/dbraw/zinc/41/80/45/130418045.db2.gz BHTXOZSDLNJMMJ-LBPRGKRZSA-N 0 1 297.358 2.821 20 30 CFEDMN CC[C@H](C)NC(=O)[C@H](C)N[C@H](C)c1ccc(C#N)cc1 ZINC000252431949 131134796 /nfs/dbraw/zinc/13/47/96/131134796.db2.gz SROXDDUVATXCJB-XQQFMLRXSA-N 0 1 273.380 2.512 20 30 CFEDMN C[C@@H]1CN(CCCNc2ccc(C#N)cc2F)C[C@@H](C)O1 ZINC000263664969 131304534 /nfs/dbraw/zinc/30/45/34/131304534.db2.gz FINXJGYRHOWAEG-CHWSQXEVSA-N 0 1 291.370 2.609 20 30 CFEDMN N#Cc1cc(F)ccc1NC(=O)N[C@H]1CCCc2cn[nH]c21 ZINC000269035325 132102466 /nfs/dbraw/zinc/10/24/66/132102466.db2.gz TWPQJVDPWSPMOH-ZDUSSCGKSA-N 0 1 299.309 2.620 20 30 CFEDMN C=C[C@@H]1CCCCN1Cc1cccc(NS(C)(=O)=O)c1 ZINC000683843648 542733290 /nfs/dbraw/zinc/73/32/90/542733290.db2.gz ITHBHJAZETWFIX-OAHLLOKOSA-N 0 1 294.420 2.599 20 30 CFEDMN C#CCC[N@H+]1CCC[C@H]1c1nnc(-c2ccccc2)[n-]1 ZINC000372421890 393448575 /nfs/dbraw/zinc/44/85/75/393448575.db2.gz ZSEVSBDHXXHKFG-AWEZNQCLSA-N 0 1 266.348 2.632 20 30 CFEDMN C=CCN1CC[C@H](N[C@H](c2ccccn2)C2CCCC2)C1=O ZINC000373857079 393474848 /nfs/dbraw/zinc/47/48/48/393474848.db2.gz WPAZLZDAFFXNHE-IRXDYDNUSA-N 0 1 299.418 2.689 20 30 CFEDMN C[C@@H]1OCC[C@]1(C)[NH+]=C([O-])N[C@H]1CCc2ccccc2C1 ZINC000329507786 393540428 /nfs/dbraw/zinc/54/04/28/393540428.db2.gz HTZKXNZRUJVCOQ-NUTKFTJISA-N 0 1 288.391 2.615 20 30 CFEDMN C[C@@H]1OCC[C@]1(C)NC([O-])=[NH+][C@H]1CCc2ccccc2C1 ZINC000329507786 393540432 /nfs/dbraw/zinc/54/04/32/393540432.db2.gz HTZKXNZRUJVCOQ-NUTKFTJISA-N 0 1 288.391 2.615 20 30 CFEDMN C[C@@H]1C[C@@H](C(=O)Nc2nc(C3CCC3)n[nH]2)CCC1=O ZINC000329545662 393542462 /nfs/dbraw/zinc/54/24/62/393542462.db2.gz ZQFRQMCHTRNGSC-SCZZXKLOSA-N 0 1 276.340 2.666 20 30 CFEDMN C[C@@H]1C[C@@H](C(=O)Nc2n[nH]c(C3CCC3)n2)CCC1=O ZINC000329545662 393542470 /nfs/dbraw/zinc/54/24/70/393542470.db2.gz ZQFRQMCHTRNGSC-SCZZXKLOSA-N 0 1 276.340 2.666 20 30 CFEDMN CC1(CNC(=O)N[C@H]2CCc3nc[nH]c3C2)CCCCC1 ZINC000329539092 393542831 /nfs/dbraw/zinc/54/28/31/393542831.db2.gz CHCAJDIXGMVCEL-LBPRGKRZSA-N 0 1 290.411 2.741 20 30 CFEDMN C=CCN1CCC(Nc2sccc2[N+](=O)[O-])CC1 ZINC000302016330 393487251 /nfs/dbraw/zinc/48/72/51/393487251.db2.gz LVARFVKUVWAXHW-UHFFFAOYSA-N 0 1 267.354 2.719 20 30 CFEDMN CCCCCN1C[C@@H](C#N)[C@]2(C1)c1ccccc1NC2=O ZINC000374354463 393494346 /nfs/dbraw/zinc/49/43/46/393494346.db2.gz UIXGODPAHHUHIE-CXAGYDPISA-N 0 1 283.375 2.522 20 30 CFEDMN N#Cc1cccc(CNCc2ccc(Cl)cn2)c1 ZINC000182686836 393513180 /nfs/dbraw/zinc/51/31/80/393513180.db2.gz OMRMJLHMSZPTEK-UHFFFAOYSA-N 0 1 257.724 2.896 20 30 CFEDMN Cc1ncsc1CNC([O-])=[NH+]C1Cc2ccccc2C1 ZINC000329632477 393545177 /nfs/dbraw/zinc/54/51/77/393545177.db2.gz WIFISUWKIHQRLU-UHFFFAOYSA-N 0 1 287.388 2.623 20 30 CFEDMN Cc1ncsc1CNC(=O)NC1Cc2ccccc2C1 ZINC000329632477 393545181 /nfs/dbraw/zinc/54/51/81/393545181.db2.gz WIFISUWKIHQRLU-UHFFFAOYSA-N 0 1 287.388 2.623 20 30 CFEDMN O=C(N[C@@H]1CCc2nc[nH]c2C1)[C@H]1CCOc2ccccc21 ZINC000329631475 393545268 /nfs/dbraw/zinc/54/52/68/393545268.db2.gz VXEHSJPUXLIDGJ-YPMHNXCESA-N 0 1 297.358 2.790 20 30 CFEDMN CC1CCC(C)([NH+]=C([O-])N[C@H]2CCn3ccnc3C2)CC1 ZINC000330277021 393553254 /nfs/dbraw/zinc/55/32/54/393553254.db2.gz NRVBZAAHYFPLDX-UYJPIKCFSA-N 0 1 290.411 2.670 20 30 CFEDMN CCN(Cc1ccc(C#N)cc1C)C[C@H](O)C(F)(F)F ZINC000189506793 393572960 /nfs/dbraw/zinc/57/29/60/393572960.db2.gz QBXROJAYKJVDBX-ZDUSSCGKSA-N 0 1 286.297 2.612 20 30 CFEDMN Cc1ccc2nc([C@H]3CCCN(C(=O)[C@H](C)C#N)C3)[nH]c2c1 ZINC000334248953 393585360 /nfs/dbraw/zinc/58/53/60/393585360.db2.gz YJHOIKPQFIIKND-OLZOCXBDSA-N 0 1 296.374 2.737 20 30 CFEDMN C[C@H](c1cccc(C#N)c1)N1CCCc2c(cnn2C)C1 ZINC000334647681 393613927 /nfs/dbraw/zinc/61/39/27/393613927.db2.gz RLZUTWMRJYEHKO-CYBMUJFWSA-N 0 1 280.375 2.801 20 30 CFEDMN Fc1ccc(C#CCN2CCC[C@@]3(CCOC3)C2)cc1 ZINC000334689136 393615837 /nfs/dbraw/zinc/61/58/37/393615837.db2.gz LGQVTKIGGDEHDH-QGZVFWFLSA-N 0 1 273.351 2.680 20 30 CFEDMN C[C@H]1CCCCC[N@H+]1CC(=O)Nc1ccc(C#N)cc1 ZINC000070409572 393637917 /nfs/dbraw/zinc/63/79/17/393637917.db2.gz HWZXOHZIQYXPPW-ZDUSSCGKSA-N 0 1 271.364 2.761 20 30 CFEDMN C[C@H]1CCCCCN1CC(=O)Nc1ccc(C#N)cc1 ZINC000070409572 393637922 /nfs/dbraw/zinc/63/79/22/393637922.db2.gz HWZXOHZIQYXPPW-ZDUSSCGKSA-N 0 1 271.364 2.761 20 30 CFEDMN C[C@H](N[C@@H]1CCc2ccc(C#N)cc21)C(=O)N1CCCCC1 ZINC000335184541 393651009 /nfs/dbraw/zinc/65/10/09/393651009.db2.gz BLHAAHYKISRBKH-SUMWQHHRSA-N 0 1 297.402 2.536 20 30 CFEDMN C[C@H]1OCC[C@@]12CN(CCC1(C#N)CCCCC1)CCO2 ZINC000411659309 393735787 /nfs/dbraw/zinc/73/57/87/393735787.db2.gz OYQUMKPWVJCEOK-NVXWUHKLSA-N 0 1 292.423 2.730 20 30 CFEDMN C[C@@H](CCC#N)N1CC[C@]2(C1)CC(=O)c1ccccc1O2 ZINC000411976626 393758846 /nfs/dbraw/zinc/75/88/46/393758846.db2.gz DPMXUONZPBDUQV-SUMWQHHRSA-N 0 1 284.359 2.789 20 30 CFEDMN COc1ccc(C[N@@H+](C)Cc2cccc(C#N)c2)cc1O ZINC000080964019 393728997 /nfs/dbraw/zinc/72/89/97/393728997.db2.gz LCORYVQBBUXPKL-UHFFFAOYSA-N 0 1 282.343 2.904 20 30 CFEDMN COc1ccc(CN(C)Cc2cccc(C#N)c2)cc1O ZINC000080964019 393728998 /nfs/dbraw/zinc/72/89/98/393728998.db2.gz LCORYVQBBUXPKL-UHFFFAOYSA-N 0 1 282.343 2.904 20 30 CFEDMN C=CCOCCN1CCN(c2cccc(Cl)c2)CC1 ZINC000338896856 393803831 /nfs/dbraw/zinc/80/38/31/393803831.db2.gz OWLDLDCSWLKFTG-UHFFFAOYSA-N 0 1 280.799 2.665 20 30 CFEDMN COc1ccc(CN2CC(C)C2)cc1OCCCC#N ZINC000338956210 393806950 /nfs/dbraw/zinc/80/69/50/393806950.db2.gz IFXKFLGLMIEING-UHFFFAOYSA-N 0 1 274.364 2.829 20 30 CFEDMN C=CCOCCN1CCN([C@@H](C)c2cccc(F)c2)CC1 ZINC000339050247 393813465 /nfs/dbraw/zinc/81/34/65/393813465.db2.gz JKTSRRCOUOLXGD-HNNXBMFYSA-N 0 1 292.398 2.707 20 30 CFEDMN COc1ccc2c(c1OC)CCN([C@@H]1CC[C@H](C#N)C1)C2 ZINC000339056422 393814085 /nfs/dbraw/zinc/81/40/85/393814085.db2.gz LHDRNPCSUKYMDT-GXTWGEPZSA-N 0 1 286.375 2.754 20 30 CFEDMN N#CCCOCCNC1(c2ccc(F)cc2F)CCC1 ZINC000339070898 393814933 /nfs/dbraw/zinc/81/49/33/393814933.db2.gz IGQVFYPFEQMVCN-UHFFFAOYSA-N 0 1 280.318 2.864 20 30 CFEDMN N#C[C@@H]1CC[C@@H](N2CCO[C@@H](C3CCCCC3)C2)C1 ZINC000339089145 393817951 /nfs/dbraw/zinc/81/79/51/393817951.db2.gz LTVZZHLSFIZZOS-FVQBIDKESA-N 0 1 262.397 2.960 20 30 CFEDMN N#C[C@H](NC(=O)c1cccc2n[nH]cc21)c1ccccc1F ZINC000342852794 393871663 /nfs/dbraw/zinc/87/16/63/393871663.db2.gz RXSKMHTXQZUUSW-HNNXBMFYSA-N 0 1 294.289 2.697 20 30 CFEDMN C=CCCOCCCCC(=O)N1CCN(C)C[C@@H]1C(C)C ZINC000342874514 393873046 /nfs/dbraw/zinc/87/30/46/393873046.db2.gz SRFMTLPTIKINGN-MRXNPFEDSA-N 0 1 296.455 2.548 20 30 CFEDMN C=CCCOCCCCC(=O)Nc1ccc2[nH]nnc2c1 ZINC000342968829 393875665 /nfs/dbraw/zinc/87/56/65/393875665.db2.gz ZSKOCFSIIKIILQ-UHFFFAOYSA-N 0 1 288.351 2.659 20 30 CFEDMN C=CCCOCCCCC(=O)N1C[C@@H](C)N(CC)C[C@@H]1C ZINC000343045565 393878256 /nfs/dbraw/zinc/87/82/56/393878256.db2.gz NDCCETVATINVQO-CVEARBPZSA-N 0 1 296.455 2.691 20 30 CFEDMN C=CCCOCCCCC(=O)N1C[C@@H](C)N(CC)C[C@H]1C ZINC000343045567 393878344 /nfs/dbraw/zinc/87/83/44/393878344.db2.gz NDCCETVATINVQO-HZPDHXFCSA-N 0 1 296.455 2.691 20 30 CFEDMN CC(C)N1CCC[C@@H](N(C)[C@H](C)c2cccc(C#N)c2)C1=O ZINC000425532185 393882191 /nfs/dbraw/zinc/88/21/91/393882191.db2.gz INFQULYAMDEJPV-RHSMWYFYSA-N 0 1 299.418 2.950 20 30 CFEDMN COc1ccccc1C[C@@H](C)N(C)CC1(C#N)CC1 ZINC000343318332 393883996 /nfs/dbraw/zinc/88/39/96/393883996.db2.gz GHWOMARMGAVLKZ-CYBMUJFWSA-N 0 1 258.365 2.862 20 30 CFEDMN C=C[C@@](C)(CC)C(=O)NCCN(CC)CCC(F)(F)F ZINC000427209943 393892154 /nfs/dbraw/zinc/89/21/54/393892154.db2.gz QDCQUJWCCJPWMF-ZDUSSCGKSA-N 0 1 294.361 2.979 20 30 CFEDMN C=C(C)CN(CC)CC(=O)N1CCC[C@H](C(F)(F)F)C1 ZINC000114712338 393901655 /nfs/dbraw/zinc/90/16/55/393901655.db2.gz KOCSRGVHELRGRE-LBPRGKRZSA-N 0 1 292.345 2.685 20 30 CFEDMN C=CCNC(=O)CN(C)[C@@H](C)c1cc(C)ccc1C ZINC000346321505 393926098 /nfs/dbraw/zinc/92/60/98/393926098.db2.gz NRQQYOLVLJRPNO-AWEZNQCLSA-N 0 1 260.381 2.598 20 30 CFEDMN CC[C@H](C#N)S(=O)(=O)Nc1c(F)cccc1NC(C)C ZINC000416961098 393946895 /nfs/dbraw/zinc/94/68/95/393946895.db2.gz RPUILZWCQSBWMF-SNVBAGLBSA-N 0 1 299.371 2.690 20 30 CFEDMN CCn1nccc1CN[C@@H]1CCCc2cc(C#N)ccc21 ZINC000418147875 394021032 /nfs/dbraw/zinc/02/10/32/394021032.db2.gz RYZDNUSGKIDCSO-QGZVFWFLSA-N 0 1 280.375 2.942 20 30 CFEDMN CC(C)C[C@@H]1OCCC[C@H]1NCc1nc(C#N)cs1 ZINC000352945724 394023157 /nfs/dbraw/zinc/02/31/57/394023157.db2.gz PIAPCDSTJODEPS-OLZOCXBDSA-N 0 1 279.409 2.698 20 30 CFEDMN Cc1ccoc1CN1CC[C@H](Oc2ccc(C#N)cn2)C1 ZINC000430166559 393964391 /nfs/dbraw/zinc/96/43/91/393964391.db2.gz FDNQOGISHWDBGU-AWEZNQCLSA-N 0 1 283.331 2.508 20 30 CFEDMN CC1=C[C@@H](C)C[N@H+]([C@H]2CCN(c3ccc(C#N)cc3)C2=O)C1 ZINC000430285700 393979345 /nfs/dbraw/zinc/97/93/45/393979345.db2.gz RFWNLAMRZFQEIE-DYVFJYSZSA-N 0 1 295.386 2.562 20 30 CFEDMN CC1=C[C@@H](C)CN([C@H]2CCN(c3ccc(C#N)cc3)C2=O)C1 ZINC000430285700 393979347 /nfs/dbraw/zinc/97/93/47/393979347.db2.gz RFWNLAMRZFQEIE-DYVFJYSZSA-N 0 1 295.386 2.562 20 30 CFEDMN COc1ccc(C#N)cc1CN1CC(C)=C[C@H](C)C1 ZINC000430287969 393980452 /nfs/dbraw/zinc/98/04/52/393980452.db2.gz ZPJIUZQKVAXVNJ-LBPRGKRZSA-N 0 1 256.349 2.965 20 30 CFEDMN C#CCN1CCC(C(=O)O[C@H](C)c2cccc(C#N)c2)CC1 ZINC000491362018 394048853 /nfs/dbraw/zinc/04/88/53/394048853.db2.gz OVPOFGPBWLAOCF-CQSZACIVSA-N 0 1 296.370 2.508 20 30 CFEDMN C#C[C@@H](NC(=O)c1sccc1CN(C)C)C(C)(C)C ZINC000491454019 394051408 /nfs/dbraw/zinc/05/14/08/394051408.db2.gz VEABLHWMYNFHOL-GFCCVEGCSA-N 0 1 278.421 2.587 20 30 CFEDMN Cc1ccc(C#N)c(NC[C@@H](c2ccco2)N(C)C)n1 ZINC000127498969 394051919 /nfs/dbraw/zinc/05/19/19/394051919.db2.gz UHMOYEOKGMLPIH-ZDUSSCGKSA-N 0 1 270.336 2.570 20 30 CFEDMN CO[C@@H]1CCN(Cc2ccc(F)c(C#N)c2)[C@@H](C)C1 ZINC000281852140 394084440 /nfs/dbraw/zinc/08/44/40/394084440.db2.gz ZHRKBNMINMYXNJ-SMDDNHRTSA-N 0 1 262.328 2.697 20 30 CFEDMN CO[C@H]1CCN(Cc2ccc(F)c(C#N)c2)[C@H](C)C1 ZINC000281852138 394084688 /nfs/dbraw/zinc/08/46/88/394084688.db2.gz ZHRKBNMINMYXNJ-RISCZKNCSA-N 0 1 262.328 2.697 20 30 CFEDMN C=CCN1CC[C@@H](N2CCC[C@H]2c2ccsc2)C1=O ZINC000281976970 394104541 /nfs/dbraw/zinc/10/45/41/394104541.db2.gz LRKGPCKMHTWUDK-UONOGXRCSA-N 0 1 276.405 2.672 20 30 CFEDMN C[C@@H]1CCC[C@@H](CO)N1Cc1ccc(C#N)cc1Cl ZINC000439444146 394115457 /nfs/dbraw/zinc/11/54/57/394115457.db2.gz AQXKDBHWZHLLOM-RISCZKNCSA-N 0 1 278.783 2.947 20 30 CFEDMN N#Cc1ccc([C@H](N[C@@H]2C[C@H]2C2CCCCC2)C(N)=O)cc1 ZINC000439623449 394124851 /nfs/dbraw/zinc/12/48/51/394124851.db2.gz JKXXDRFKBTXAEZ-BBWFWOEESA-N 0 1 297.402 2.643 20 30 CFEDMN N#Cc1ccc([C@H](N[C@H]2C[C@H]2C2CCCCC2)C(N)=O)cc1 ZINC000439623451 394124955 /nfs/dbraw/zinc/12/49/55/394124955.db2.gz JKXXDRFKBTXAEZ-ULQDDVLXSA-N 0 1 297.402 2.643 20 30 CFEDMN C=CCN(CCC#N)C(=O)C(C#N)CCc1ccccc1 ZINC000359440340 394134001 /nfs/dbraw/zinc/13/40/01/394134001.db2.gz DDKPGVMWADMZCB-INIZCTEOSA-N 0 1 281.359 2.687 20 30 CFEDMN Fc1ccc(C#CCN2CCC[C@@H]2[C@@H]2CCCO2)cc1 ZINC000284676639 394138064 /nfs/dbraw/zinc/13/80/64/394138064.db2.gz HERHMKPDWVPTLU-SJORKVTESA-N 0 1 273.351 2.821 20 30 CFEDMN CC[C@](C)(C#N)C(=O)N[C@@H]1CCCN(Cc2ccccc2)C1 ZINC000285320461 394141062 /nfs/dbraw/zinc/14/10/62/394141062.db2.gz XIELCMPSOPZRGG-SJLPKXTDSA-N 0 1 299.418 2.707 20 30 CFEDMN C=C(C)CNCc1c(C)nn(-c2ccccn2)c1Cl ZINC000285929698 394168440 /nfs/dbraw/zinc/16/84/40/394168440.db2.gz LQUJMTNMZSQYQB-UHFFFAOYSA-N 0 1 276.771 2.895 20 30 CFEDMN N#Cc1ccc(CNC[C@@H](c2ccco2)N2CCCC2)o1 ZINC000135124328 394211516 /nfs/dbraw/zinc/21/15/16/394211516.db2.gz SNJUZXBZAMUIEV-HNNXBMFYSA-N 0 1 285.347 2.671 20 30 CFEDMN CC(C)(C)N1CC[C@@](F)(C(=O)N[C@@](C)(C#N)C(C)(C)C)C1 ZINC000366036359 394238986 /nfs/dbraw/zinc/23/89/86/394238986.db2.gz BSPMQQZGVLASGV-HOTGVXAUSA-N 0 1 297.418 2.643 20 30 CFEDMN C#CCOc1ccccc1CN(C)[C@H](CO)c1ccccc1 ZINC000294989556 394295898 /nfs/dbraw/zinc/29/58/98/394295898.db2.gz HIHWPLLFUVLWGM-GOSISDBHSA-N 0 1 295.382 2.864 20 30 CFEDMN N#Cc1ccc(C[N@H+](CCO)C2CCCCC2)s1 ZINC000155140928 394311572 /nfs/dbraw/zinc/31/15/72/394311572.db2.gz UFTPJVOKEUIKGL-UHFFFAOYSA-N 0 1 264.394 2.747 20 30 CFEDMN CCCCCCCCC(=O)N1CCC[C@@H](c2nn[nH]n2)C1 ZINC000155462310 394316984 /nfs/dbraw/zinc/31/69/84/394316984.db2.gz ASPMFLUCOJTSOQ-CYBMUJFWSA-N 0 1 293.415 2.656 20 30 CFEDMN COc1cc(C#N)ccc1CN1CCSC[C@H]1C1CC1 ZINC000451655110 394377457 /nfs/dbraw/zinc/37/74/57/394377457.db2.gz QAWBKAIOGKFUTJ-HNNXBMFYSA-N 0 1 288.416 2.894 20 30 CFEDMN Cc1ncc([C@@H](C)NCc2ccc(C#N)c(F)c2)c(C)n1 ZINC000453397455 394396622 /nfs/dbraw/zinc/39/66/22/394396622.db2.gz ZNPURRRGYHFZNC-SNVBAGLBSA-N 0 1 284.338 2.955 20 30 CFEDMN C=C(C)CCNC(=O)c1sccc1CN(C)C ZINC000456121775 394438452 /nfs/dbraw/zinc/43/84/52/394438452.db2.gz NBJCFJAHFQTTNT-UHFFFAOYSA-N 0 1 252.383 2.506 20 30 CFEDMN CC[C@H](C)N(C)Cc1cccc(C(=O)OC)c1C#N ZINC000535207398 394532339 /nfs/dbraw/zinc/53/23/39/394532339.db2.gz QGHPXCLLEQBEIQ-NSHDSACASA-N 0 1 260.337 2.575 20 30 CFEDMN COC(=O)c1cccc(CN2CCCC2(C)C)c1C#N ZINC000535205418 394532448 /nfs/dbraw/zinc/53/24/48/394532448.db2.gz ISISIOLIPWBNCU-UHFFFAOYSA-N 0 1 272.348 2.719 20 30 CFEDMN C[C@@H](NCCOC[C@H]1CCCO1)c1ccc(C#N)cc1F ZINC000543762841 394742684 /nfs/dbraw/zinc/74/26/84/394742684.db2.gz ORPCOCTVURHCFL-TZMCWYRMSA-N 0 1 292.354 2.544 20 30 CFEDMN Cc1csc(C(C#N)C(=O)c2cn(C)nc2C2CC2)n1 ZINC000685782912 542944081 /nfs/dbraw/zinc/94/40/81/542944081.db2.gz MSUVRUFPDKIJEH-JTQLQIEISA-N 0 1 286.360 2.553 20 30 CFEDMN COC(=O)c1cccc(CN2CCCC[C@H](C)C2)c1C#N ZINC000548163864 394916192 /nfs/dbraw/zinc/91/61/92/394916192.db2.gz RQASHLJSDVSFCG-ZDUSSCGKSA-N 0 1 286.375 2.967 20 30 CFEDMN C[C@@H](c1ccccc1)[N@H+]1CC[C@@H](Nc2ccncc2C#N)C1 ZINC000548481251 394935104 /nfs/dbraw/zinc/93/51/04/394935104.db2.gz IGHGEDCGQWCDDT-WMLDXEAASA-N 0 1 292.386 2.623 20 30 CFEDMN C=CCOCCCN1CCO[C@](C)(c2ccccc2)C1 ZINC000564747505 395082096 /nfs/dbraw/zinc/08/20/96/395082096.db2.gz MISLBIVJBSEVFT-KRWDZBQOSA-N 0 1 275.392 2.827 20 30 CFEDMN Cc1ncccc1CN(C)CCOCc1ccc(C#N)cc1 ZINC000574608069 395089513 /nfs/dbraw/zinc/08/95/13/395089513.db2.gz ZJTPDKXYAMIDBQ-UHFFFAOYSA-N 0 1 295.386 2.910 20 30 CFEDMN Cc1nsc(NC[C@@H]2N(C)CCCC2(C)C)c1C#N ZINC000557674369 395043773 /nfs/dbraw/zinc/04/37/73/395043773.db2.gz RYHYBUBTMQDHGN-LBPRGKRZSA-N 0 1 278.425 2.856 20 30 CFEDMN C=C(C)[C@@H](CO)N(C)Cc1cc(Cl)ccc1OC ZINC000649222740 395454123 /nfs/dbraw/zinc/45/41/23/395454123.db2.gz SCDVGXFFFNIKKC-CYBMUJFWSA-N 0 1 269.772 2.717 20 30 CFEDMN C=CCCCCN1CCN(C(=O)CC(C)(C)C)CC1 ZINC000649222339 395454504 /nfs/dbraw/zinc/45/45/04/395454504.db2.gz KUFVBQHLYNVBTH-UHFFFAOYSA-N 0 1 266.429 2.923 20 30 CFEDMN CC(C)O[C@@H]1CCCN(CC#Cc2ccccc2)C1 ZINC000649702506 395555099 /nfs/dbraw/zinc/55/50/99/395555099.db2.gz FVUICCCYVYQGPH-QGZVFWFLSA-N 0 1 257.377 2.928 20 30 CFEDMN C[C@H](CO)C1CCN(CC#Cc2ccc(F)cc2)CC1 ZINC000649799830 395572562 /nfs/dbraw/zinc/57/25/62/395572562.db2.gz FKTFUOHWOGKFDZ-CQSZACIVSA-N 0 1 275.367 2.518 20 30 CFEDMN CCN(CCCCC#N)CC(=O)Nc1ccccc1OC ZINC000198680935 397614025 /nfs/dbraw/zinc/61/40/25/397614025.db2.gz WRWUZZHJNFNEIY-UHFFFAOYSA-N 0 1 289.379 2.649 20 30 CFEDMN C[C@H]1CN(Cc2ccc(C#N)cc2C(F)(F)F)C[C@@H]1CO ZINC000356400329 155254703 /nfs/dbraw/zinc/25/47/03/155254703.db2.gz UVAFJEPTBSPEOV-GXFFZTMASA-N 0 1 298.308 2.637 20 30 CFEDMN N#Cc1ccc(CN2CCC[C@@H]2CCO)c(C(F)(F)F)c1 ZINC000356420677 155259017 /nfs/dbraw/zinc/25/90/17/155259017.db2.gz SVVVKXHHGZPNMW-CYBMUJFWSA-N 0 1 298.308 2.924 20 30 CFEDMN CCCN(C)CC(=O)Nc1cc(C#N)ccc1OC(C)C ZINC000355457489 155013637 /nfs/dbraw/zinc/01/36/37/155013637.db2.gz PMJWOADTXAUXJW-UHFFFAOYSA-N 0 1 289.379 2.626 20 30 CFEDMN CC[C@@H]1CO[C@@H](C)CN1Cc1ccc(C#N)c(C)c1 ZINC000362960542 156129136 /nfs/dbraw/zinc/12/91/36/156129136.db2.gz OVYJVYCAAYMLMX-XJKSGUPXSA-N 0 1 258.365 2.866 20 30 CFEDMN N#Cc1ccc(CN2CCCO[C@@H]3CCC[C@@H]32)s1 ZINC000374255311 157089742 /nfs/dbraw/zinc/08/97/42/157089742.db2.gz QDGBDMVITWAAKO-UONOGXRCSA-N 0 1 262.378 2.763 20 30 CFEDMN N#Cc1cccc(NC(=O)CN2C[C@@H]3CCCCC[C@H]32)c1 ZINC000374552143 157127683 /nfs/dbraw/zinc/12/76/83/157127683.db2.gz YXBLGBYOMZFHNO-GOEBONIOSA-N 0 1 283.375 2.761 20 30 CFEDMN C=CCCn1cc(CN2CCCC(C)(C)CC2)nn1 ZINC000653559148 413368091 /nfs/dbraw/zinc/36/80/91/413368091.db2.gz KUZXWHBPWXJEMA-UHFFFAOYSA-N 0 1 262.401 2.866 20 30 CFEDMN C=CCCn1cc(CN2CCC[C@@H]3CCC[C@H]32)nn1 ZINC000653559823 413370121 /nfs/dbraw/zinc/37/01/21/413370121.db2.gz WPLCHYYDCIPIFM-DZGCQCFKSA-N 0 1 260.385 2.619 20 30 CFEDMN C=CCCn1cc(CN(CC)C[C@H](C)CC)nn1 ZINC000653564550 413376065 /nfs/dbraw/zinc/37/60/65/413376065.db2.gz BOZRJXICEVQLQG-CYBMUJFWSA-N 0 1 250.390 2.722 20 30 CFEDMN N#Cc1cccc(CN[C@@H](CO)c2cccc(F)c2)c1 ZINC000344336148 162015208 /nfs/dbraw/zinc/01/52/08/162015208.db2.gz AQWUXTDRMWXOLC-INIZCTEOSA-N 0 1 270.307 2.521 20 30 CFEDMN N#Cc1ccc(CN[C@@H](CCO)c2ccccc2)s1 ZINC000344436763 162044192 /nfs/dbraw/zinc/04/41/92/162044192.db2.gz GZMJVNBOJHEJRH-HNNXBMFYSA-N 0 1 272.373 2.833 20 30 CFEDMN Cc1nc(C)c(CNCc2cnc3ccc(C#N)cn23)s1 ZINC000344624953 162082261 /nfs/dbraw/zinc/08/22/61/162082261.db2.gz MHOXUWJKTUKMCS-UHFFFAOYSA-N 0 1 297.387 2.569 20 30 CFEDMN Cc1ccsc1[C@@H](CO)NCc1ccc(C#N)s1 ZINC000344700492 162103077 /nfs/dbraw/zinc/10/30/77/162103077.db2.gz OSSFGLOYQVFDFR-GFCCVEGCSA-N 0 1 278.402 2.813 20 30 CFEDMN Cc1csc(NC(=O)c2ccc3cncn3c2)c1C#N ZINC000344897285 162145154 /nfs/dbraw/zinc/14/51/54/162145154.db2.gz OJIFHNMOMUSAFB-UHFFFAOYSA-N 0 1 282.328 2.828 20 30 CFEDMN C=CCCn1cc(CN[C@@H](C)Cc2ccccc2F)nn1 ZINC000657326658 413450988 /nfs/dbraw/zinc/45/09/88/413450988.db2.gz PPFKCUQKDIZRCB-ZDUSSCGKSA-N 0 1 288.370 2.714 20 30 CFEDMN CN(Cc1cccc(C#N)c1F)C[C@H]1CCCC[C@H]1O ZINC000351244324 163122589 /nfs/dbraw/zinc/12/25/89/163122589.db2.gz AESQRIJKWQEGDU-UKRRQHHQSA-N 0 1 276.355 2.680 20 30 CFEDMN N#Cc1c(F)cccc1N1CCN(CCCCF)CC1 ZINC000351858781 163206504 /nfs/dbraw/zinc/20/65/04/163206504.db2.gz VZMACBXQYKWOFR-UHFFFAOYSA-N 0 1 279.334 2.569 20 30 CFEDMN Cc1cccc(O[C@H](C)CNCc2nc(C#N)cs2)c1 ZINC000352809545 163238658 /nfs/dbraw/zinc/23/86/58/163238658.db2.gz HUJZJFCOJLMVMU-GFCCVEGCSA-N 0 1 287.388 2.880 20 30 CFEDMN Cc1cccc(O[C@@H](C)CNCc2nc(C#N)cs2)c1 ZINC000352809546 163239028 /nfs/dbraw/zinc/23/90/28/163239028.db2.gz HUJZJFCOJLMVMU-LBPRGKRZSA-N 0 1 287.388 2.880 20 30 CFEDMN CS[C@@H](CNCc1nc(C#N)cs1)C(C)(C)C ZINC000352822299 163243621 /nfs/dbraw/zinc/24/36/21/163243621.db2.gz JOSNSGZXRUUGAQ-JTQLQIEISA-N 0 1 269.439 2.882 20 30 CFEDMN Cc1cccc(C)c1CCNCc1nc(C#N)cs1 ZINC000352837664 163248061 /nfs/dbraw/zinc/24/80/61/163248061.db2.gz PHRWAGYKSDJROB-UHFFFAOYSA-N 0 1 271.389 2.964 20 30 CFEDMN C[C@H](CNCc1nc(C#N)cs1)Oc1ccccc1F ZINC000352844736 163251760 /nfs/dbraw/zinc/25/17/60/163251760.db2.gz QVFCNRKOFIODLY-SNVBAGLBSA-N 0 1 291.351 2.711 20 30 CFEDMN COc1cc(C#N)ccc1CN1CC[C@H](COC(F)F)C1 ZINC000353028264 163290619 /nfs/dbraw/zinc/29/06/19/163290619.db2.gz ZDPQXDQAUWAABT-LBPRGKRZSA-N 0 1 296.317 2.628 20 30 CFEDMN C[C@@H](NC1CCN(c2ccc(C#N)cc2)CC1)c1ccon1 ZINC000353668932 163421278 /nfs/dbraw/zinc/42/12/78/163421278.db2.gz GSRUSZRBAGKNKT-CYBMUJFWSA-N 0 1 296.374 2.866 20 30 CFEDMN C=CC[N@H+](CCC(=O)[O-])Cc1cccc(Br)c1 ZINC000575130589 335070649 /nfs/dbraw/zinc/07/06/49/335070649.db2.gz BGEKAMJUPHEJDW-UHFFFAOYSA-N 0 1 298.180 2.912 20 30 CFEDMN C#CCOc1ccc([C@@H](C)NCc2cc(C)nn2C)cc1 ZINC000284310422 196027145 /nfs/dbraw/zinc/02/71/45/196027145.db2.gz LHLVEYVCWHNTOP-CQSZACIVSA-N 0 1 283.375 2.591 20 30 CFEDMN N#Cc1ccccc1CN1CCC[C@H]1[C@H]1CCCO1 ZINC000284968526 196166212 /nfs/dbraw/zinc/16/62/12/196166212.db2.gz XNCSJSKBVNLUPH-JKSUJKDBSA-N 0 1 256.349 2.702 20 30 CFEDMN COCC#CCN(C)[C@@H](C)c1nc2ccc(Cl)cc2[nH]1 ZINC000660710475 413509608 /nfs/dbraw/zinc/50/96/08/413509608.db2.gz OLVDPFPQMAFQKO-NSHDSACASA-N 0 1 291.782 2.859 20 30 CFEDMN C=CCCn1cc(CN[C@@H]2C[C@H]2C2CCCCC2)nn1 ZINC000657380415 413526827 /nfs/dbraw/zinc/52/68/27/413526827.db2.gz JJQKRYHWYLTNFI-JKSUJKDBSA-N 0 1 274.412 2.913 20 30 CFEDMN C=C(C)CCN(C)[C@@H](c1nnc[nH]1)c1ccccc1 ZINC000660765030 413546590 /nfs/dbraw/zinc/54/65/90/413546590.db2.gz SVWXREIOMIFIGU-CQSZACIVSA-N 0 1 256.353 2.792 20 30 CFEDMN C=CCCn1cc(CN[C@@H]2CCO[C@H](C(C)(C)C)C2)nn1 ZINC000657422310 413582461 /nfs/dbraw/zinc/58/24/61/413582461.db2.gz ODCJWBLSMAHFJZ-HIFRSBDPSA-N 0 1 292.427 2.538 20 30 CFEDMN C=CCCn1cc(CN[C@@H]2CCO[C@H](CC(C)C)C2)nn1 ZINC000657428642 413591928 /nfs/dbraw/zinc/59/19/28/413591928.db2.gz MEVAHFMVRQJPFL-GDBMZVCRSA-N 0 1 292.427 2.538 20 30 CFEDMN N#CC[C@H]1CCCN(CCC(=O)c2ccccc2)C1 ZINC000661156315 413793667 /nfs/dbraw/zinc/79/36/67/413793667.db2.gz XLXBJPVKSGSHQJ-CQSZACIVSA-N 0 1 256.349 2.885 20 30 CFEDMN C[C@H](N[C@@H](C)c1ccc(C#N)cc1)C(=O)NC(C)(C)C ZINC000037502301 173239152 /nfs/dbraw/zinc/23/91/52/173239152.db2.gz YLLWGXUHGRFDJJ-RYUDHWBXSA-N 0 1 273.380 2.512 20 30 CFEDMN C=CCN(CC(=O)N(C)c1ccccc1)C(C)(C)C ZINC000661754752 414194595 /nfs/dbraw/zinc/19/45/95/414194595.db2.gz DBWSFQCQCNOLBS-UHFFFAOYSA-N 0 1 260.381 2.936 20 30 CFEDMN COc1ncccc1CN[C@H](C)c1cccc(C#N)c1 ZINC000037650177 173601941 /nfs/dbraw/zinc/60/19/41/173601941.db2.gz HWNWIFSRNSGIFN-GFCCVEGCSA-N 0 1 267.332 2.813 20 30 CFEDMN C=CCC1(NCc2nc([C@H](C)OC)no2)CCCC1 ZINC000661867816 414278640 /nfs/dbraw/zinc/27/86/40/414278640.db2.gz ZKZPVHNOLWWAGC-NSHDSACASA-N 0 1 265.357 2.756 20 30 CFEDMN C=C[C@H](CO)N[C@@H](C)C(=O)Nc1c(C)cccc1C(C)C ZINC000662165744 414440175 /nfs/dbraw/zinc/44/01/75/414440175.db2.gz NOALOAOANONNGL-UONOGXRCSA-N 0 1 290.407 2.582 20 30 CFEDMN C=C1C[C@H]2CC[C@@H](C1)N2CC(=O)Nc1ccc(OC)cc1 ZINC000662085375 414401969 /nfs/dbraw/zinc/40/19/69/414401969.db2.gz FXBZNMVLMHNSHD-GASCZTMLSA-N 0 1 286.375 2.817 20 30 CFEDMN C=C1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1cc(=O)[nH]c(C2CC2)n1 ZINC000662088576 414404171 /nfs/dbraw/zinc/40/41/71/414404171.db2.gz JSTBOHZIPCHLDD-OKILXGFUSA-N 0 1 271.364 2.743 20 30 CFEDMN C=CCN1CC[C@H](N[C@]2(c3ccccc3)CC2(C)C)C1=O ZINC000662341200 414512445 /nfs/dbraw/zinc/51/24/45/414512445.db2.gz QSZMMIQFONOJEV-YJBOKZPZSA-N 0 1 284.403 2.688 20 30 CFEDMN C=CC[C@@H]1CCCC[C@@H]1NC(=O)c1cc(C(C)(C)N)no1 ZINC000662842289 414618582 /nfs/dbraw/zinc/61/85/82/414618582.db2.gz MKLOIFNDNXMZGY-NEPJUHHUSA-N 0 1 291.395 2.733 20 30 CFEDMN C=C1C[C@H]2CC[C@@H](C1)[N@@H+]2[C@@H](C(=O)[O-])c1ccccc1 ZINC000659802565 414561524 /nfs/dbraw/zinc/56/15/24/414561524.db2.gz YURPBZMZZHCNOG-QLFBSQMISA-N 0 1 257.333 2.995 20 30 CFEDMN N#Cc1ccc(CNC(=O)c2ccc(O)c(Cl)c2)cc1 ZINC000045223563 175331542 /nfs/dbraw/zinc/33/15/42/175331542.db2.gz ROHAATYFVMBNQI-UHFFFAOYSA-N 0 1 286.718 2.847 20 30 CFEDMN N#Cc1ccc(C(=O)Nc2cccc(-c3nnc[nH]3)c2)cc1 ZINC000078710668 177374817 /nfs/dbraw/zinc/37/48/17/177374817.db2.gz RPJKWOHYWDHWFU-UHFFFAOYSA-N 0 1 289.298 2.596 20 30 CFEDMN Cc1scc(C(=O)C(C#N)c2ccncn2)c1C ZINC000354473588 227008029 /nfs/dbraw/zinc/00/80/29/227008029.db2.gz PWTYULTYCQADOH-SNVBAGLBSA-N 0 1 257.318 2.645 20 30 CFEDMN N#CC(=C([O-])c1csc2c1CCCC2)c1ccncn1 ZINC000354473808 227009469 /nfs/dbraw/zinc/00/94/69/227009469.db2.gz QESSUAWCFCROLN-LLVKDONJSA-N 0 1 283.356 2.907 20 30 CFEDMN N#CC(C(=O)c1csc2c1CCCC2)c1ccncn1 ZINC000354473808 227009474 /nfs/dbraw/zinc/00/94/74/227009474.db2.gz QESSUAWCFCROLN-LLVKDONJSA-N 0 1 283.356 2.907 20 30 CFEDMN N#CC(=C(O)c1cccn1C1CCCC1)c1ccncn1 ZINC000354477967 227010765 /nfs/dbraw/zinc/01/07/65/227010765.db2.gz ULSOSZRNSITVEJ-CYBMUJFWSA-N 0 1 280.331 2.883 20 30 CFEDMN CCc1ocnc1C(=O)N[C@@H]1CN(C)C[C@H]1c1ccccc1 ZINC000329030972 227265515 /nfs/dbraw/zinc/26/55/15/227265515.db2.gz PQWMRNSCHMSSHF-UONOGXRCSA-N 0 1 299.374 2.639 20 30 CFEDMN Cc1n[nH]c(CCNC(=O)[C@@H]2CCCc3sccc32)n1 ZINC000329090029 227290720 /nfs/dbraw/zinc/29/07/20/227290720.db2.gz IUYUMECDEWWCPO-LLVKDONJSA-N 0 1 290.392 2.794 20 30 CFEDMN Cc1ccsc1[C@H]1C[C@H]1C(=O)NCCc1nc(C)n[nH]1 ZINC000329121925 227311871 /nfs/dbraw/zinc/31/18/71/227311871.db2.gz WJSNZFWMEXBHOF-WDEREUQCSA-N 0 1 290.392 2.786 20 30 CFEDMN O=C(CNC(=O)[C@@H]1CCCN1C1CC1)NC1CCCCC1 ZINC000330242451 228076905 /nfs/dbraw/zinc/07/69/05/228076905.db2.gz WKBUBLNJQKUYKM-AWEZNQCLSA-N 0 1 293.411 2.859 20 30 CFEDMN C[C@@H]1CCC[C@H](N(C)C([O-])=[NH+][C@H]2CCn3ccnc3C2)C1 ZINC000330256257 228081911 /nfs/dbraw/zinc/08/19/11/228081911.db2.gz BQITZYKUOKAAIK-RDBSUJKOSA-N 0 1 290.411 2.622 20 30 CFEDMN C[C@H]1N(Cc2ccc(CC#N)cc2)CCOC1(C)C ZINC000335990932 228175323 /nfs/dbraw/zinc/17/53/23/228175323.db2.gz REXLPMAFGRVHJO-CYBMUJFWSA-N 0 1 258.365 2.752 20 30 CFEDMN C=CCNC(=O)CN[C@H]1CCSc2cc(C)c(C)cc21 ZINC000187488308 260038691 /nfs/dbraw/zinc/03/86/91/260038691.db2.gz NMJVMYDPDIJTMU-AWEZNQCLSA-N 0 1 290.432 2.732 20 30 CFEDMN C=CCCCN1CCN(C(=O)c2cc3ccccc3[nH]2)CC1 ZINC000117876978 260117324 /nfs/dbraw/zinc/11/73/24/260117324.db2.gz XVDBHNRIXPVKJK-UHFFFAOYSA-N 0 1 297.402 2.892 20 30 CFEDMN CC(C)[C@](C)(C#N)NC(=O)[C@H](C)N1CCC(C)(C)CC1 ZINC000407994319 260157323 /nfs/dbraw/zinc/15/73/23/260157323.db2.gz BKPUJIAQCJHDOE-BBRMVZONSA-N 0 1 279.428 2.551 20 30 CFEDMN CC(C)[C@](C)(C#N)NC(=O)[C@@H](C)N1CCC(C)(C)CC1 ZINC000407994323 260157328 /nfs/dbraw/zinc/15/73/28/260157328.db2.gz BKPUJIAQCJHDOE-CJNGLKHVSA-N 0 1 279.428 2.551 20 30 CFEDMN CSc1ccc(O[C@H](C)C(=O)Nc2nnc(C)[nH]2)cc1 ZINC000076991746 260295202 /nfs/dbraw/zinc/29/52/02/260295202.db2.gz FDNZOJYEEMXXPY-MRVPVSSYSA-N 0 1 292.364 2.891 20 30 CFEDMN CSc1ccc(O[C@H](C)C(=O)Nc2nc(C)n[nH]2)cc1 ZINC000076991746 260295204 /nfs/dbraw/zinc/29/52/04/260295204.db2.gz FDNZOJYEEMXXPY-MRVPVSSYSA-N 0 1 292.364 2.891 20 30 CFEDMN CCN(CCC#N)C(=O)CN1CCC[C@H]1c1ccccc1 ZINC000079942365 260309651 /nfs/dbraw/zinc/30/96/51/260309651.db2.gz WSUVXZWBAZGWSA-INIZCTEOSA-N 0 1 285.391 2.586 20 30 CFEDMN C#CCSCC[NH2+]Cc1c([O-])cccc1Cl ZINC000152931763 260675955 /nfs/dbraw/zinc/67/59/55/260675955.db2.gz UNMNMSHTRASEFA-UHFFFAOYSA-N 0 1 255.770 2.502 20 30 CFEDMN CC(C)c1csc(C(C#N)C(=O)NCC(F)(F)F)n1 ZINC000155757249 261107410 /nfs/dbraw/zinc/10/74/10/261107410.db2.gz HPBLWYOGDYJMLS-ZETCQYMHSA-N 0 1 291.298 2.552 20 30 CFEDMN C#CCN1CCC(C(=O)O[C@@H](C)CCc2ccccc2)CC1 ZINC000490893407 261238653 /nfs/dbraw/zinc/23/86/53/261238653.db2.gz UFMRPKHFVSTWNS-INIZCTEOSA-N 0 1 299.414 2.896 20 30 CFEDMN Cc1c(C#N)cccc1NS(=O)(=O)c1ccccc1C#N ZINC000179029308 261412440 /nfs/dbraw/zinc/41/24/40/261412440.db2.gz IJUQKLOFHWAEEY-UHFFFAOYSA-N 0 1 297.339 2.539 20 30 CFEDMN CC(C)(C)c1nc2ccc(NC(=O)CC#N)cc2[nH]1 ZINC000185155972 262043639 /nfs/dbraw/zinc/04/36/39/262043639.db2.gz RSMDUFZDKGRRIP-UHFFFAOYSA-N 0 1 256.309 2.713 20 30 CFEDMN C#CCN1CCC(C(=O)N2CCCCCCCC2)CC1 ZINC000491819563 262096403 /nfs/dbraw/zinc/09/64/03/262096403.db2.gz OISGDCAPDBWPEO-UHFFFAOYSA-N 0 1 276.424 2.514 20 30 CFEDMN C=CCNC(=O)CN[C@@H](C)c1ccc(Cl)c(Cl)c1 ZINC000120475404 262197296 /nfs/dbraw/zinc/19/72/96/262197296.db2.gz UOTXLNNAKHOVRF-VIFPVBQESA-N 0 1 287.190 2.946 20 30 CFEDMN C=CCNC(=O)[C@H](C)N1CCC(c2ccc(F)cc2)CC1 ZINC000364410258 262234020 /nfs/dbraw/zinc/23/40/20/262234020.db2.gz UMQWESOUSWCQAX-ZDUSSCGKSA-N 0 1 290.382 2.696 20 30 CFEDMN C=CC1CCN(CC(=O)N[C@H](C)c2ccccc2)CC1 ZINC000111260477 262258787 /nfs/dbraw/zinc/25/87/87/262258787.db2.gz JXTHIEZBOCWQPY-CQSZACIVSA-N 0 1 272.392 2.762 20 30 CFEDMN C=CC1CCN([C@@H]2CCN(c3ccccc3)C2=O)CC1 ZINC000111259925 262258831 /nfs/dbraw/zinc/25/88/31/262258831.db2.gz YPQAALXMOOKMRL-MRXNPFEDSA-N 0 1 270.376 2.690 20 30 CFEDMN C=CCN(CC)CC(=O)N1CCC[C@H]1c1cccs1 ZINC000368797296 262264766 /nfs/dbraw/zinc/26/47/66/262264766.db2.gz JZMOQAKZQNOBJL-ZDUSSCGKSA-N 0 1 278.421 2.920 20 30 CFEDMN N#C[C@@H]1CCC[C@@H](N[C@H](c2nnc[nH]2)c2ccccc2)C1 ZINC000365150919 262280624 /nfs/dbraw/zinc/28/06/24/262280624.db2.gz SQYYJWRNCPKHFC-YUELXQCFSA-N 0 1 281.363 2.566 20 30 CFEDMN Cc1cc(C(=O)[C@H](C#N)c2nc3ccccc3n2C)co1 ZINC000187235054 262393665 /nfs/dbraw/zinc/39/36/65/262393665.db2.gz LSGCXMGFMSIMBP-LBPRGKRZSA-N 0 1 279.299 2.965 20 30 CFEDMN Cc1cc(C(=O)C(C#N)c2nc3ccccc3n2C)co1 ZINC000187235054 262393667 /nfs/dbraw/zinc/39/36/67/262393667.db2.gz LSGCXMGFMSIMBP-LBPRGKRZSA-N 0 1 279.299 2.965 20 30 CFEDMN CC(C)[C@H](O)CN1CCC[C@@H]1[C@H](C#N)c1ccccc1 ZINC000336832976 262399039 /nfs/dbraw/zinc/39/90/39/262399039.db2.gz XFKNHLLZIPFRSN-BRWVUGGUSA-N 0 1 272.392 2.775 20 30 CFEDMN Cc1nc2c(cccc2C(=O)N(C[C@H](C)C#N)C2CC2)[nH]1 ZINC000338553560 262544310 /nfs/dbraw/zinc/54/43/10/262544310.db2.gz XLRJANJJAVLJRM-SNVBAGLBSA-N 0 1 282.347 2.636 20 30 CFEDMN CC(C)(C#N)CCN1CCN(Cc2ccc(C#N)cc2)CC1 ZINC000272019429 263001503 /nfs/dbraw/zinc/00/15/03/263001503.db2.gz MIJCHNRIEBHHMV-UHFFFAOYSA-N 0 1 296.418 2.616 20 30 CFEDMN Cc1cc(C2CCN(C(=O)C3(C#N)CCCC3)CC2)n[nH]1 ZINC000272193170 263002639 /nfs/dbraw/zinc/00/26/39/263002639.db2.gz GEPQQRXZPRPEAF-UHFFFAOYSA-N 0 1 286.379 2.508 20 30 CFEDMN N#CCCCCN1CCc2c(ncn2-c2ccccc2)C1 ZINC000272447851 263004489 /nfs/dbraw/zinc/00/44/89/263004489.db2.gz BYOQEXZFMAKOAQ-UHFFFAOYSA-N 0 1 280.375 2.924 20 30 CFEDMN Cn1cc(CN2CCC(C)(C#N)CC2)c(-c2ccncc2)n1 ZINC000272512796 263005618 /nfs/dbraw/zinc/00/56/18/263005618.db2.gz JKGMHAJVUIYABC-UHFFFAOYSA-N 0 1 295.390 2.608 20 30 CFEDMN CC1(C#N)CCN(CCOc2cccc(C#N)c2)CC1 ZINC000272599265 263007281 /nfs/dbraw/zinc/00/72/81/263007281.db2.gz QQGSJNJGBJIVNM-UHFFFAOYSA-N 0 1 269.348 2.563 20 30 CFEDMN N#CCCCNCc1cc2c(cc1Br)OCO2 ZINC000273030057 263011247 /nfs/dbraw/zinc/01/12/47/263011247.db2.gz GCHDEUQZPPAZQY-UHFFFAOYSA-N 0 1 297.152 2.571 20 30 CFEDMN N#CCCCNCc1cc(Cl)cc2c1OCC2 ZINC000273035825 263011304 /nfs/dbraw/zinc/01/13/04/263011304.db2.gz HGKBHTXVHDJWOI-UHFFFAOYSA-N 0 1 250.729 2.668 20 30 CFEDMN COc1cc2c(cc1OC)CN([C@H](C)CCC#N)CC2 ZINC000276325083 263036118 /nfs/dbraw/zinc/03/61/18/263036118.db2.gz PNHYQIZWZLRCOU-GFCCVEGCSA-N 0 1 274.364 2.754 20 30 CFEDMN CC1(C)CCCN(C(=O)c2cccc3[nH]cnc32)[C@H]1C#N ZINC000277404392 263041185 /nfs/dbraw/zinc/04/11/85/263041185.db2.gz BMZRYIZZRDOIKT-ZDUSSCGKSA-N 0 1 282.347 2.717 20 30 CFEDMN CN([C@@H]1CC[C@H](C#N)C1)[C@H]1CCCN(c2ccccc2)C1=O ZINC000278669304 263049574 /nfs/dbraw/zinc/04/95/74/263049574.db2.gz QWEAPGUJIOFSAY-UAGQMJEPSA-N 0 1 297.402 2.806 20 30 CFEDMN CC1(C)[C@H](OCc2ccccc2)C[C@@H]1NCCC#N ZINC000278749996 263050369 /nfs/dbraw/zinc/05/03/69/263050369.db2.gz SJDXDMQMJGHFRS-LSDHHAIUSA-N 0 1 258.365 2.874 20 30 CFEDMN CC(C)(C#N)c1ccccc1C[N@H+]1C[C@@H](O)C(C)(C)C1 ZINC000279953098 263058498 /nfs/dbraw/zinc/05/84/98/263058498.db2.gz XWFOPJIXHWEVFZ-OAHLLOKOSA-N 0 1 272.392 2.690 20 30 CFEDMN CC1(C#N)CN(C(=O)c2c(O)cc(Cl)cc2Cl)C1 ZINC000280500260 263062270 /nfs/dbraw/zinc/06/22/70/263062270.db2.gz POACAYASJLICQS-UHFFFAOYSA-N 0 1 285.130 2.685 20 30 CFEDMN CC(C)(C#N)CCOc1ccccc1-c1nnc[nH]1 ZINC000281819637 263072153 /nfs/dbraw/zinc/07/21/53/263072153.db2.gz HMIISHGYBRMGNA-UHFFFAOYSA-N 0 1 256.309 2.790 20 30 CFEDMN COc1ccc(N2CCN([C@@H]3CC[C@@H](C#N)C3)CC2)cc1 ZINC000283978427 263085383 /nfs/dbraw/zinc/08/53/83/263085383.db2.gz MEWDVQSMMJUSFF-GDBMZVCRSA-N 0 1 285.391 2.509 20 30 CFEDMN CN(CCCCC#N)Cc1nc(-c2cccs2)no1 ZINC000285408973 263092840 /nfs/dbraw/zinc/09/28/40/263092840.db2.gz URGNTTPPKXUIGY-UHFFFAOYSA-N 0 1 276.365 2.924 20 30 CFEDMN N#CCCCN1CCC(Oc2ccc(C#N)cc2F)CC1 ZINC000285604632 263094493 /nfs/dbraw/zinc/09/44/93/263094493.db2.gz WUVZVPDCTWIHRU-UHFFFAOYSA-N 0 1 287.338 2.844 20 30 CFEDMN Cc1nc([C@@H]2CCCCN2CC#Cc2ccc(F)cc2)n[nH]1 ZINC000366671340 263113813 /nfs/dbraw/zinc/11/38/13/263113813.db2.gz ZIRWPNHQZAIBDG-INIZCTEOSA-N 0 1 298.365 2.831 20 30 CFEDMN COC(=O)c1ccc2c(c1)CN([C@@H]1CC[C@H](C#N)C1)CC2 ZINC000292716193 263134359 /nfs/dbraw/zinc/13/43/59/263134359.db2.gz AFFVXCGFLVSVSS-BLLLJJGKSA-N 0 1 284.359 2.524 20 30 CFEDMN CC(C)(C)CN(CCC#N)C[C@H](O)Cc1ccc(F)cc1 ZINC000292985118 263136852 /nfs/dbraw/zinc/13/68/52/263136852.db2.gz FOHPTHMKXBAROX-MRXNPFEDSA-N 0 1 292.398 2.991 20 30 CFEDMN CC(C)N(Cc1ccc(N(C)CCC#N)cc1)C1COC1 ZINC000296098578 263185725 /nfs/dbraw/zinc/18/57/25/263185725.db2.gz RSBOQZISAYDNAX-UHFFFAOYSA-N 0 1 287.407 2.646 20 30 CFEDMN Cc1ccccc1N1CCN([C@@H](C)CCC#N)CC1 ZINC000297919771 263212120 /nfs/dbraw/zinc/21/21/20/263212120.db2.gz QHTPPFDDVGXSPH-HNNXBMFYSA-N 0 1 257.381 2.809 20 30 CFEDMN Cc1ccccc1[C@H](C)N(C)CC(=O)N[C@@](C)(C#N)C1CC1 ZINC000298846634 263227015 /nfs/dbraw/zinc/22/70/15/263227015.db2.gz KGYPFHBSZQTHNR-KSSFIOAISA-N 0 1 299.418 2.796 20 30 CFEDMN CC(C)[C@@](C)(C#N)NC(=O)CN1CC[C@@H](c2ccccc2)C1 ZINC000299317148 263239252 /nfs/dbraw/zinc/23/92/52/263239252.db2.gz JGTMLCBMARVDRJ-SJLPKXTDSA-N 0 1 299.418 2.530 20 30 CFEDMN CC#CCN(C)C(=O)c1cc(-c2ccccc2Cl)[nH]n1 ZINC000341052756 263319189 /nfs/dbraw/zinc/31/91/89/263319189.db2.gz SNLSBIBUFAHRSS-UHFFFAOYSA-N 0 1 287.750 2.825 20 30 CFEDMN CC#CCCCC(=O)NCc1ccc(CN(C)C)c(F)c1 ZINC000342042777 263382966 /nfs/dbraw/zinc/38/29/66/263382966.db2.gz UYMZXJWNFQQYOM-UHFFFAOYSA-N 0 1 290.382 2.697 20 30 CFEDMN C=CCCN(C)[C@H](C)C(=O)Nc1ccc(C)c(F)c1 ZINC000342739977 263471994 /nfs/dbraw/zinc/47/19/94/263471994.db2.gz XRZDRHYUBHPEJS-GFCCVEGCSA-N 0 1 264.344 2.969 20 30 CFEDMN C=CCOc1ccc(CNCc2cn(C)nc2C)cc1 ZINC000125570887 264027760 /nfs/dbraw/zinc/02/77/60/264027760.db2.gz SHICFSMTLPUWHV-UHFFFAOYSA-N 0 1 271.364 2.583 20 30 CFEDMN Cc1cccc(C)c1[C@H](C)NC(=O)N[C@H](C)c1nnc[nH]1 ZINC000330850951 264067690 /nfs/dbraw/zinc/06/76/90/264067690.db2.gz FCETXPNKGLUDNW-NWDGAFQWSA-N 0 1 287.367 2.747 20 30 CFEDMN CCc1nc(NC(=O)NCc2cn[nH]c2C)sc1C ZINC000330904347 264073857 /nfs/dbraw/zinc/07/38/57/264073857.db2.gz UFBUDVUSTGDSQR-UHFFFAOYSA-N 0 1 279.369 2.572 20 30 CFEDMN Cc1n[nH]c(C(C)C)c1C(=O)NC[C@H]1CCSC1 ZINC000330937113 264082155 /nfs/dbraw/zinc/08/21/55/264082155.db2.gz AOXFIQOTUAJEKW-SNVBAGLBSA-N 0 1 267.398 2.899 20 30 CFEDMN CCC[C@@H]1CCCN(C(=O)NCc2cn[nH]c2C)C1 ZINC000330971192 264092389 /nfs/dbraw/zinc/09/23/89/264092389.db2.gz FLCVNAVEEUXFOK-GFCCVEGCSA-N 0 1 264.373 2.644 20 30 CFEDMN CC(C)C[C@@H]1OCCC[C@H]1[NH+]=C([O-])NCCn1cccc1 ZINC000331062318 264110644 /nfs/dbraw/zinc/11/06/44/264110644.db2.gz UZGIKMMYAJINBO-CABCVRRESA-N 0 1 293.411 2.585 20 30 CFEDMN C=CCn1cc(CNC[C@H](C)c2cc(F)cc(F)c2)nn1 ZINC000425356712 264130079 /nfs/dbraw/zinc/13/00/79/264130079.db2.gz QOFQNNXMRDFRLK-NSHDSACASA-N 0 1 292.333 2.636 20 30 CFEDMN Cc1cnc(C(=O)NC2CC[NH+](CC(C)C)CC2)c([O-])c1 ZINC000331130763 264147979 /nfs/dbraw/zinc/14/79/79/264147979.db2.gz GOMKREDERHGEKF-UHFFFAOYSA-N 0 1 291.395 2.521 20 30 CFEDMN Cc1cnc(C(=O)NC2CCC(C[NH+](C)C)CC2)c([O-])c1 ZINC000331212341 264163442 /nfs/dbraw/zinc/16/34/42/264163442.db2.gz SEDACZNIQSOIDA-UHFFFAOYSA-N 0 1 291.395 2.521 20 30 CFEDMN N#CC1(NC(=O)c2cc(F)cc3nc[nH]c32)CCCCC1 ZINC000129217883 264320576 /nfs/dbraw/zinc/32/05/76/264320576.db2.gz WHRAYGJIVGDFGE-UHFFFAOYSA-N 0 1 286.310 2.658 20 30 CFEDMN C=CCCC[N@H+](C)Cc1nc(=O)c2sccc2[n-]1 ZINC000076734197 264343121 /nfs/dbraw/zinc/34/31/21/264343121.db2.gz OMJWUDWELHFJCA-UHFFFAOYSA-N 0 1 263.366 2.795 20 30 CFEDMN C=CCOc1ccc(C[N@@H+]2CC[C@@H](C(=O)OC)[C@H]2C)cc1 ZINC000347276479 265127284 /nfs/dbraw/zinc/12/72/84/265127284.db2.gz LDUQINUHLRDQDK-CZUORRHYSA-N 0 1 289.375 2.635 20 30 CFEDMN C[C@@H](CC#N)N(C)C[C@]1(C)CCN(C(=O)OC(C)(C)C)C1 ZINC000195167879 265304107 /nfs/dbraw/zinc/30/41/07/265304107.db2.gz GJMLAOGQVHJISO-BBRMVZONSA-N 0 1 295.427 2.867 20 30 CFEDMN C=CCN(Cc1n[nH]c(C2CC2)n1)Cc1cccc(C#N)c1 ZINC000180413904 265609578 /nfs/dbraw/zinc/60/95/78/265609578.db2.gz JWCOYJJWACLDKC-UHFFFAOYSA-N 0 1 293.374 2.742 20 30 CFEDMN CCN(CC(=O)N(Cc1ccc(C#N)cc1)C1CC1)C1CC1 ZINC000192847012 266104170 /nfs/dbraw/zinc/10/41/70/266104170.db2.gz MXKDVAPXGXFELN-UHFFFAOYSA-N 0 1 297.402 2.534 20 30 CFEDMN CC[C@@H](C(=O)NCC1(CC#N)CC1)N(C)Cc1ccccc1 ZINC000356379533 266104859 /nfs/dbraw/zinc/10/48/59/266104859.db2.gz UIJXBBZKAJHFJT-INIZCTEOSA-N 0 1 299.418 2.707 20 30 CFEDMN C[C@@H]1CN(C(=O)C[C@H](CC#N)c2ccccc2)[C@@H](C)CN1C ZINC000356587750 266142939 /nfs/dbraw/zinc/14/29/39/266142939.db2.gz DALYJPAMKGZDTK-VYDXJSESSA-N 0 1 299.418 2.625 20 30 CFEDMN CN1CCN(C(=O)C[C@@H](CC#N)c2ccccc2)C(C)(C)C1 ZINC000356599559 266146549 /nfs/dbraw/zinc/14/65/49/266146549.db2.gz VYVLVPDJLYUYPP-MRXNPFEDSA-N 0 1 299.418 2.627 20 30 CFEDMN N#CC1(c2ccccn2)CCN(C[C@H]2CCC=CO2)CC1 ZINC000367243747 266168562 /nfs/dbraw/zinc/16/85/62/266168562.db2.gz MCYUCISWWKLFFS-OAHLLOKOSA-N 0 1 283.375 2.631 20 30 CFEDMN N#CC(C(=O)c1ccc([N+](=O)[O-])[nH]1)c1nc2ccccc2o1 ZINC000358989960 266518416 /nfs/dbraw/zinc/51/84/16/266518416.db2.gz WUQSHECMNJHRHE-MRVPVSSYSA-N 0 1 296.242 2.554 20 30 CFEDMN C=CCN(CC=C)C(=O)[C@@H](C)N1CCC(C(F)F)CC1 ZINC000361689524 266871343 /nfs/dbraw/zinc/87/13/43/266871343.db2.gz MWHKGLHKRCMSTQ-GFCCVEGCSA-N 0 1 286.366 2.553 20 30 CFEDMN CCCCCCCCCN1C[C@@H]2CCS(=O)(=O)[C@@H]2C1 ZINC000367539055 267098324 /nfs/dbraw/zinc/09/83/24/267098324.db2.gz VXSLWKDMMDRRMA-LSDHHAIUSA-N 0 1 287.469 2.856 20 30 CFEDMN C=CCN(CC)CC(=O)N1CCC[C@H]1c1ccsc1 ZINC000368795125 267206375 /nfs/dbraw/zinc/20/63/75/267206375.db2.gz MSWNUKZYWIRZTD-AWEZNQCLSA-N 0 1 278.421 2.920 20 30 CFEDMN C=CCCCN1CCN(C(=O)C2CCCCC2)CC1 ZINC000117874886 267223634 /nfs/dbraw/zinc/22/36/34/267223634.db2.gz VJXUMBRJHDMTSY-UHFFFAOYSA-N 0 1 264.413 2.677 20 30 CFEDMN CC1(C)CC[C@H](CN2CCC(C#N)(c3ccccn3)CC2)O1 ZINC000369216838 267226199 /nfs/dbraw/zinc/22/61/99/267226199.db2.gz YDFKAFFTYCYKMD-OAHLLOKOSA-N 0 1 299.418 2.896 20 30 CFEDMN C[C@H]1CN(c2cnccc2C#N)CCN1Cc1ccccc1 ZINC000396370832 267239234 /nfs/dbraw/zinc/23/92/34/267239234.db2.gz DMARPCDXVJMIRZ-HNNXBMFYSA-N 0 1 292.386 2.664 20 30 CFEDMN N#CC1(NC(=O)CN2C[C@@H]3CCCCC[C@H]32)CCCCC1 ZINC000371134741 267353808 /nfs/dbraw/zinc/35/38/08/267353808.db2.gz UYOUQTDHMNXKHN-LSDHHAIUSA-N 0 1 289.423 2.594 20 30 CFEDMN COC(=O)CCC1CCN(Cc2ccccc2C#N)CC1 ZINC000531239965 267359710 /nfs/dbraw/zinc/35/97/10/267359710.db2.gz YZJPHUOHRSDIPK-UHFFFAOYSA-N 0 1 286.375 2.723 20 30 CFEDMN C=C(C)CN(CC)[C@H](C)C(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000120110933 267381836 /nfs/dbraw/zinc/38/18/36/267381836.db2.gz GDYPORXVYVXRCK-GFCCVEGCSA-N 0 1 291.351 2.820 20 30 CFEDMN CN(C(=O)CN1CC2CCC1CC2)C1(C#N)CCCCC1 ZINC000371393563 267398694 /nfs/dbraw/zinc/39/86/94/267398694.db2.gz QJDMGTAESMRRAK-UHFFFAOYSA-N 0 1 289.423 2.546 20 30 CFEDMN N#Cc1ccc(C2(NCC3(C#N)CCC3)CCOCC2)cc1 ZINC000528781105 268211271 /nfs/dbraw/zinc/21/12/71/268211271.db2.gz GPLNZDVCRREPHQ-UHFFFAOYSA-N 0 1 295.386 2.847 20 30 CFEDMN CO[C@H](C)CN(C)CC#Cc1ccc(Cl)cc1 ZINC000285841321 274074238 /nfs/dbraw/zinc/07/42/38/274074238.db2.gz WMHNWFABHBXYCO-GFCCVEGCSA-N 0 1 251.757 2.658 20 30 CFEDMN Cc1ccnc(NC[C@H](c2ccco2)N(C)C)c1C#N ZINC000273065314 274818244 /nfs/dbraw/zinc/81/82/44/274818244.db2.gz UFTGARYVEBTVMO-CYBMUJFWSA-N 0 1 270.336 2.570 20 30 CFEDMN C#CCCN1CCn2cccc2[C@@H]1c1ccccc1 ZINC000268756177 275379601 /nfs/dbraw/zinc/37/96/01/275379601.db2.gz YLWFJTRGAXORIJ-KRWDZBQOSA-N 0 1 250.345 2.916 20 30 CFEDMN C=C[C@@H](CO)N[C@H](C)c1sc(C(C)(C)C)nc1C ZINC000290000866 275436043 /nfs/dbraw/zinc/43/60/43/275436043.db2.gz ZCKLSIQVVAWVAF-KOLCDFICSA-N 0 1 268.426 2.947 20 30 CFEDMN C=CCCN(C)C(=O)NC[C@@H](c1ccco1)N(CC)CC ZINC000276469727 275742793 /nfs/dbraw/zinc/74/27/93/275742793.db2.gz XCVPXAUNJJDKNZ-AWEZNQCLSA-N 0 1 293.411 2.880 20 30 CFEDMN CN1CC[C@H](NCC2(C#N)CC2)[C@H]1c1ccc(Cl)cc1 ZINC000352082950 277170346 /nfs/dbraw/zinc/17/03/46/277170346.db2.gz KNMAMFGWOVUTEQ-LSDHHAIUSA-N 0 1 289.810 2.979 20 30 CFEDMN CN1Cc2ccccc2[C@H](Nc2cccnc2C#N)C1 ZINC000368115499 277213259 /nfs/dbraw/zinc/21/32/59/277213259.db2.gz RFETUJVBFNILHD-MRXNPFEDSA-N 0 1 264.332 2.552 20 30 CFEDMN CC(C)(C#N)CCN1CCCC[C@@H]1[C@H](O)C(F)(F)F ZINC000345761351 278257471 /nfs/dbraw/zinc/25/74/71/278257471.db2.gz VVHKJPONJUQIJW-MNOVXSKESA-N 0 1 278.318 2.704 20 30 CFEDMN CC[C@@H](C(=O)N(C)C[C@H](C)C#N)N(C)Cc1ccccc1 ZINC000352776443 280066541 /nfs/dbraw/zinc/06/65/41/280066541.db2.gz SLMNBKJWSJUFCI-ZBFHGGJFSA-N 0 1 287.407 2.515 20 30 CFEDMN CC1(C)CCC[C@H](NC(=O)N[C@@H]2CCc3nc[nH]c3C2)C1 ZINC000329541235 281045572 /nfs/dbraw/zinc/04/55/72/281045572.db2.gz DHHHQSNQJVZPTF-NEPJUHHUSA-N 0 1 290.411 2.739 20 30 CFEDMN CC(C)[C@@H]1CCN([C@H](C)C(=O)Nc2ccccc2C#N)C1 ZINC000252741114 281078023 /nfs/dbraw/zinc/07/80/23/281078023.db2.gz HYXMBPGFBRSAFU-UKRRQHHQSA-N 0 1 285.391 2.863 20 30 CFEDMN Cc1ccc2c(c1)nc(CN[C@@H]1CC[C@@H](C#N)C1)n2C ZINC000335679656 281131459 /nfs/dbraw/zinc/13/14/59/281131459.db2.gz ZIEYQGGUWZRJSL-CHWSQXEVSA-N 0 1 268.364 2.664 20 30 CFEDMN COC(=O)c1cccc(CN[C@@H](C)c2ccc(C#N)cc2)n1 ZINC000548936647 281808452 /nfs/dbraw/zinc/80/84/52/281808452.db2.gz JNWCUGUOJVFNJF-LBPRGKRZSA-N 0 1 295.342 2.591 20 30 CFEDMN CC(C)COC1CCN(Cc2ccc(C#N)cn2)CC1 ZINC000559290012 282004623 /nfs/dbraw/zinc/00/46/23/282004623.db2.gz MUSJESHGDXZMOW-UHFFFAOYSA-N 0 1 273.380 2.590 20 30 CFEDMN CC(=Cc1scnc1C1CC1)c1nc(C)c(C#N)c(=O)[nH]1 ZINC000562461558 290044947 /nfs/dbraw/zinc/04/49/47/290044947.db2.gz VTAAPDIFHNZFIK-VMPITWQZSA-N 0 1 298.371 2.844 20 30 CFEDMN CC(C)OCCCN(C)Cc1ccc(C#N)cc1[N+](=O)[O-] ZINC000563216367 290118981 /nfs/dbraw/zinc/11/89/81/290118981.db2.gz JOQSDYINKUYCKH-UHFFFAOYSA-N 0 1 291.351 2.713 20 30 CFEDMN CCN1C[C@H](C)N(Cc2ccc(C#N)s2)[C@@H](C)C1 ZINC000566426970 290383153 /nfs/dbraw/zinc/38/31/53/290383153.db2.gz ZAHYULQSEYRXOC-RYUDHWBXSA-N 0 1 263.410 2.534 20 30 CFEDMN C=C(C)CN1CC[C@H]1CN(C)C(=O)C1CCCCC1 ZINC001085461399 782060326 /nfs/dbraw/zinc/06/03/26/782060326.db2.gz FYTRCBRARFCPIV-HNNXBMFYSA-N 0 1 264.413 2.676 20 30 CFEDMN O=C(N[C@@H]1CCCc2cn[nH]c21)N1CC2(C1)CCCC2 ZINC000330277605 295380556 /nfs/dbraw/zinc/38/05/56/295380556.db2.gz OMBVBOJEHQSFAY-GFCCVEGCSA-N 0 1 274.368 2.577 20 30 CFEDMN C#CCN1CCC(C(=O)O[C@H](C)c2ccccc2F)CC1 ZINC000490838434 327666072 /nfs/dbraw/zinc/66/60/72/327666072.db2.gz BTYRWHUDWCSFSW-CYBMUJFWSA-N 0 1 289.350 2.775 20 30 CFEDMN Cn1cc(CCNCCC#N)c2ccc(Cl)cc21 ZINC000580710878 327704043 /nfs/dbraw/zinc/70/40/43/327704043.db2.gz QJRFWRDQDBZVLJ-UHFFFAOYSA-N 0 1 261.756 2.877 20 30 CFEDMN C=C(C)CN(CC)C(=O)[C@H](C)N1CCC(OC(C)C)CC1 ZINC000531164481 327744298 /nfs/dbraw/zinc/74/42/98/327744298.db2.gz XWUXMDKEECRSAD-HNNXBMFYSA-N 0 1 296.455 2.689 20 30 CFEDMN C#CCCCCC(=O)NC[C@@H](c1ccco1)N1CCCC1 ZINC000119490189 327906006 /nfs/dbraw/zinc/90/60/06/327906006.db2.gz WMQCRSFVBADLRI-HNNXBMFYSA-N 0 1 288.391 2.726 20 30 CFEDMN C=CCCC[C@H](C)[N@H+]1CCC[C@@](COC)(C(=O)[O-])C1 ZINC000563290405 328009754 /nfs/dbraw/zinc/00/97/54/328009754.db2.gz UKXCLKDNXHHZPB-DZGCQCFKSA-N 0 1 269.385 2.544 20 30 CFEDMN CCCN(CC#N)C(=O)c1cccc(C(F)(F)F)c1O ZINC000571222866 328092968 /nfs/dbraw/zinc/09/29/68/328092968.db2.gz MFBYLHQDUVQEFW-UHFFFAOYSA-N 0 1 286.253 2.787 20 30 CFEDMN C[C@H](C#N)C[N@H+](C)Cc1cc(Cl)cc([N+](=O)[O-])c1[O-] ZINC000271138952 328195327 /nfs/dbraw/zinc/19/53/27/328195327.db2.gz UCMOJYAYMRYWAK-MRVPVSSYSA-N 0 1 283.715 2.545 20 30 CFEDMN C[C@H](C#N)C[N@@H+](C)Cc1cc(Cl)cc([N+](=O)[O-])c1[O-] ZINC000271138952 328195329 /nfs/dbraw/zinc/19/53/29/328195329.db2.gz UCMOJYAYMRYWAK-MRVPVSSYSA-N 0 1 283.715 2.545 20 30 CFEDMN C=C(C)CN(C)[C@H](CC)C(=O)Nc1ccc(OC)cc1 ZINC000181281609 329229210 /nfs/dbraw/zinc/22/92/10/329229210.db2.gz MWTXJIRVWWRKSA-OAHLLOKOSA-N 0 1 276.380 2.920 20 30 CFEDMN C=C(C)CN(C)[C@@H](C)C(=O)N1CCCC[C@@H]1CC ZINC000181282261 329229536 /nfs/dbraw/zinc/22/95/36/329229536.db2.gz VUEJOKYAKPOCQZ-KBPBESRZSA-N 0 1 252.402 2.674 20 30 CFEDMN C=CCCC[C@@H](C)NC(=O)[C@@H]1CCCc2[nH]ncc21 ZINC000182590248 329243155 /nfs/dbraw/zinc/24/31/55/329243155.db2.gz NDJIXCFGGOKGDV-VXGBXAGGSA-N 0 1 261.369 2.691 20 30 CFEDMN N#CCCN(CC[C@@H](O)c1ccccc1)CC1CC1 ZINC000286474070 328249822 /nfs/dbraw/zinc/24/98/22/328249822.db2.gz PJGSSHQKDHSUSB-MRXNPFEDSA-N 0 1 258.365 2.736 20 30 CFEDMN N#CCCOCCN(Cc1ccccc1F)C1CC1 ZINC000293329663 328275291 /nfs/dbraw/zinc/27/52/91/328275291.db2.gz CPUYUHPUKSHONU-UHFFFAOYSA-N 0 1 262.328 2.720 20 30 CFEDMN C=CCSCCN[C@@H](c1c[nH]nn1)c1ccc(F)cc1 ZINC000340515181 328287348 /nfs/dbraw/zinc/28/73/48/328287348.db2.gz NRIZHSBQYWVQMA-CQSZACIVSA-N 0 1 292.383 2.542 20 30 CFEDMN C=C(C)CNCc1cc([N+](=O)[O-])ccc1OC(F)F ZINC000119656315 328307074 /nfs/dbraw/zinc/30/70/74/328307074.db2.gz QHARBKVALMORSR-UHFFFAOYSA-N 0 1 272.251 2.862 20 30 CFEDMN N#Cc1ccc(CNCCOc2ccc(F)c(F)c2)o1 ZINC000174365113 323648174 /nfs/dbraw/zinc/64/81/74/323648174.db2.gz OMIQDYXRCQTFRY-UHFFFAOYSA-N 0 1 278.258 2.598 20 30 CFEDMN CCN(C(=O)c1ccc(C#N)c(O)c1)c1ccccc1 ZINC000188282044 324013172 /nfs/dbraw/zinc/01/31/72/324013172.db2.gz LHGUJJQVIAZZNE-UHFFFAOYSA-N 0 1 266.300 2.931 20 30 CFEDMN CCC1CCN([C@@H](C)C(=O)N[C@](C)(C#N)C(C)C)CC1 ZINC000048596247 328457582 /nfs/dbraw/zinc/45/75/82/328457582.db2.gz RUUVNYSUGMRPAF-XJKSGUPXSA-N 0 1 279.428 2.551 20 30 CFEDMN CN(CCOc1ccc(F)cc1)Cc1ccc(C#N)cn1 ZINC000582039361 325171035 /nfs/dbraw/zinc/17/10/35/325171035.db2.gz GEOGCTWALMKSFL-UHFFFAOYSA-N 0 1 285.322 2.603 20 30 CFEDMN C[C@@H](C(=O)NCc1ccccc1)N1CCC(CCC#N)CC1 ZINC000566174625 327155811 /nfs/dbraw/zinc/15/58/11/327155811.db2.gz UTYGJGZBJPQMOG-HNNXBMFYSA-N 0 1 299.418 2.707 20 30 CFEDMN N#CC1(C(=O)N2CCN(C3CCCC3)CC2)CCCCC1 ZINC000049083070 327281754 /nfs/dbraw/zinc/28/17/54/327281754.db2.gz VVGOHOQCEMWEEM-UHFFFAOYSA-N 0 1 289.423 2.547 20 30 CFEDMN C=C(CC)CN1CCc2ccc(C(=O)OC)cc2C1 ZINC000358742660 327305543 /nfs/dbraw/zinc/30/55/43/327305543.db2.gz YYZVURGBGCYMPO-UHFFFAOYSA-N 0 1 259.349 2.798 20 30 CFEDMN CC(C)(C#N)CNCc1ccc(-n2cccn2)cc1 ZINC000168932167 327493163 /nfs/dbraw/zinc/49/31/63/327493163.db2.gz SOBGENMGBPTBBU-UHFFFAOYSA-N 0 1 254.337 2.512 20 30 CFEDMN C[C@@H](COc1cccc(F)c1)NC[C@H](C#N)CCC#N ZINC000570444055 327591850 /nfs/dbraw/zinc/59/18/50/327591850.db2.gz LEAOFMCNWYSRQK-STQMWFEESA-N 0 1 275.327 2.626 20 30 CFEDMN C=CCn1c(C2CCC2)n[n-]c1=[NH+]c1cccc(OC)c1 ZINC000570554751 327599877 /nfs/dbraw/zinc/59/98/77/327599877.db2.gz IEEYBKZNIFDFAU-UHFFFAOYSA-N 0 1 284.363 2.906 20 30 CFEDMN C=C[C@H](C)NC(=O)NC[C@@H](c1ccco1)N(CC)CC ZINC000362707332 328929669 /nfs/dbraw/zinc/92/96/69/328929669.db2.gz NKKWHFXDTNAGQE-STQMWFEESA-N 0 1 279.384 2.536 20 30 CFEDMN CC#CCN1CCC(c2nccc(C(F)(F)F)n2)CC1 ZINC000375544001 329003956 /nfs/dbraw/zinc/00/39/56/329003956.db2.gz CYIGDLWCEOSPNY-UHFFFAOYSA-N 0 1 283.297 2.698 20 30 CFEDMN C[C@H](NC[C@H](C#N)CCC#N)[C@H]1COc2ccccc21 ZINC000178825398 329204380 /nfs/dbraw/zinc/20/43/80/329204380.db2.gz DUPLZYQXVHIVPB-KCQAQPDRSA-N 0 1 269.348 2.584 20 30 CFEDMN C=C(C)CN(C)[C@H](C)C(=O)NC1CCC(C)CC1 ZINC000181272544 329228881 /nfs/dbraw/zinc/22/88/81/329228881.db2.gz ZCHYHNDPMNTBCF-ROKHWSDSSA-N 0 1 252.402 2.578 20 30 CFEDMN C=C(C)CN(C)[C@@H](C)C(=O)N[C@H](C)c1ccccc1 ZINC000181306038 329230604 /nfs/dbraw/zinc/23/06/04/329230604.db2.gz ZNWSQZABHWIHMS-KGLIPLIRSA-N 0 1 260.381 2.760 20 30 CFEDMN C=C(C)CN(C)[C@H](C)C(=O)N[C@@H]1CCOc2ccccc21 ZINC000181309531 329230876 /nfs/dbraw/zinc/23/08/76/329230876.db2.gz PUSKITJCFFKNAF-UKRRQHHQSA-N 0 1 288.391 2.523 20 30 CFEDMN C=C(C)CN(C)C(=O)NC[C@@H](c1cccc(F)c1)N(C)C ZINC000182212945 329240841 /nfs/dbraw/zinc/24/08/41/329240841.db2.gz ZHCUASNFTXDJFB-HNNXBMFYSA-N 0 1 293.386 2.646 20 30 CFEDMN C=C(C)CN(C)C(=O)c1cc(-c2ccc(F)cc2)[nH]n1 ZINC000183053083 329246781 /nfs/dbraw/zinc/24/67/81/329246781.db2.gz AJNFIRICMPCETH-UHFFFAOYSA-N 0 1 273.311 2.864 20 30 CFEDMN C=CCNC(=O)CN1CCC[C@H]1c1ccc(C)c(C)c1 ZINC000063619337 329390738 /nfs/dbraw/zinc/39/07/38/329390738.db2.gz VWTRZHRBOKSTPN-INIZCTEOSA-N 0 1 272.392 2.743 20 30 CFEDMN CCCN(C)CC(=O)N(CCC#N)c1cc(C)cc(C)c1 ZINC000063762080 329399447 /nfs/dbraw/zinc/39/94/47/329399447.db2.gz GMSPYWZVZKPNEL-UHFFFAOYSA-N 0 1 287.407 2.892 20 30 CFEDMN COc1ccncc1CN1CCC(CCC#N)CC1 ZINC000399432891 329453146 /nfs/dbraw/zinc/45/31/46/329453146.db2.gz ZJJZUUCVZXIRPC-UHFFFAOYSA-N 0 1 259.353 2.606 20 30 CFEDMN CC(C)c1nc2n(n1)CCC[C@@H]2N[C@@H]1CCC[C@@H](C#N)C1 ZINC000248827201 329900117 /nfs/dbraw/zinc/90/01/17/329900117.db2.gz GNZDEWXZBAUUHZ-MCIONIFRSA-N 0 1 287.411 2.908 20 30 CFEDMN C=CC[N@@H+](Cc1ccccc1F)[C@@H](CC)C(=O)[O-] ZINC000263140135 330045534 /nfs/dbraw/zinc/04/55/34/330045534.db2.gz OBIUGTIQQMJIFA-ZDUSSCGKSA-N 0 1 251.301 2.677 20 30 CFEDMN C=CCOc1cccc(C[N@@H+]2C[C@@H](C(=O)[O-])CC[C@H]2C)c1 ZINC000263356287 330052829 /nfs/dbraw/zinc/05/28/29/330052829.db2.gz QXIHUXKQQQFGRN-HIFRSBDPSA-N 0 1 289.375 2.937 20 30 CFEDMN C=CCOc1ccccc1CN[C@@H]1C[C@]1(C)OCC ZINC000527782980 330283219 /nfs/dbraw/zinc/28/32/19/330283219.db2.gz CXRQCMOSCXWTND-CVEARBPZSA-N 0 1 261.365 2.909 20 30 CFEDMN C=CCC[C@@H](C)N[C@@H](C)c1ncc(C(=O)OC)s1 ZINC000424322697 330340421 /nfs/dbraw/zinc/34/04/21/330340421.db2.gz ILAHWABMKWELIR-ZJUUUORDSA-N 0 1 268.382 2.935 20 30 CFEDMN C=CCOc1ccc(C[N@@H+]2CCC[C@@H](C)[C@H]2C(=O)[O-])cc1 ZINC000424413863 330350614 /nfs/dbraw/zinc/35/06/14/330350614.db2.gz GIOAFOBRVUXBJD-CJNGLKHVSA-N 0 1 289.375 2.937 20 30 CFEDMN CCOC(=O)[C@H]1CCCCN1CCCC(C)(C)C#N ZINC000118825833 330368268 /nfs/dbraw/zinc/36/82/68/330368268.db2.gz LBOKDNXJHRXNMT-CYBMUJFWSA-N 0 1 266.385 2.734 20 30 CFEDMN CC[C@@H](C#N)S(=O)(=O)Nc1cc(Cl)ccc1F ZINC000088475999 330376648 /nfs/dbraw/zinc/37/66/48/330376648.db2.gz MPTGVUSBQWTXGD-QMMMGPOBSA-N 0 1 276.720 2.523 20 30 CFEDMN C=CCN(C)[C@@H](C)C(=O)N[C@@H](C)c1ccc(CC)cc1 ZINC000121302509 330399521 /nfs/dbraw/zinc/39/95/21/330399521.db2.gz LSQQMOARNBVPDJ-KBPBESRZSA-N 0 1 274.408 2.933 20 30 CFEDMN C=C[C@@H]1OCC[C@H]1NCc1nc2c(s1)C[C@H](C)CC2 ZINC000449518164 330933186 /nfs/dbraw/zinc/93/31/86/330933186.db2.gz INOOJRVQCZVGDA-WZRBSPASSA-N 0 1 278.421 2.701 20 30 CFEDMN C=C[C@H]1CCCCN1Cc1ccc(C(=O)OCC)cn1 ZINC000450878166 331004332 /nfs/dbraw/zinc/00/43/32/331004332.db2.gz ITSNENJCFPAIBB-HNNXBMFYSA-N 0 1 274.364 2.799 20 30 CFEDMN C=CCCC[C@@H](C)[N@H+]1CCC[C@@H](c2n[n-]c(=O)o2)C1 ZINC000450894556 331005465 /nfs/dbraw/zinc/00/54/65/331005465.db2.gz GAGCCXVOFZPTHE-VXGBXAGGSA-N 0 1 265.357 2.699 20 30 CFEDMN CCO[C@@H]1CCN(CC#Cc2ccc(F)cc2)C[C@H]1C ZINC000451538379 331033090 /nfs/dbraw/zinc/03/30/90/331033090.db2.gz JFJGJHUREMCHOX-RHSMWYFYSA-N 0 1 275.367 2.924 20 30 CFEDMN Cc1cc(C(=O)[C@@H](C#N)c2cc(C)nc(C)n2)nn1C(C)C ZINC000453574667 331134632 /nfs/dbraw/zinc/13/46/32/331134632.db2.gz CBANVRIFSQFHQY-ZDUSSCGKSA-N 0 1 297.362 2.669 20 30 CFEDMN Cc1cc(C(=O)C(C#N)c2cc(C)nc(C)n2)nn1C(C)C ZINC000453574667 331134633 /nfs/dbraw/zinc/13/46/33/331134633.db2.gz CBANVRIFSQFHQY-ZDUSSCGKSA-N 0 1 297.362 2.669 20 30 CFEDMN C=CC(C)(C)CNC(=O)NCc1nc2cccc(C)c2[nH]1 ZINC000454754723 331152908 /nfs/dbraw/zinc/15/29/08/331152908.db2.gz RZVMCEBMPPJVEW-UHFFFAOYSA-N 0 1 286.379 2.883 20 30 CFEDMN CC(C#N)C(=O)N[C@@H](CCC(C)(C)C)C(=O)OC(C)(C)C ZINC000456239162 331186911 /nfs/dbraw/zinc/18/69/11/331186911.db2.gz VXMJNKYXEWQVHZ-RYUDHWBXSA-N 0 1 296.411 2.799 20 30 CFEDMN C=CCC1(CNC(=O)[C@H]2CCCN2C2CC2)CCCC1 ZINC000456500123 331194412 /nfs/dbraw/zinc/19/44/12/331194412.db2.gz CMUBZRCGXYMIHR-OAHLLOKOSA-N 0 1 276.424 2.866 20 30 CFEDMN C=CCCO[C@H](C)C(=O)Nc1ccc(F)c(F)c1O ZINC000457302014 331218476 /nfs/dbraw/zinc/21/84/76/331218476.db2.gz XANURQQEPHVUTM-MRVPVSSYSA-N 0 1 271.263 2.590 20 30 CFEDMN Cc1ccc2nc(CNC(=O)N(C)CC(C)(C)C#N)[nH]c2c1 ZINC000458476085 331251857 /nfs/dbraw/zinc/25/18/57/331251857.db2.gz JFCOASGTONYILU-UHFFFAOYSA-N 0 1 299.378 2.563 20 30 CFEDMN C=C[C@@H]1OCC[C@H]1NCc1cccc(O)c1Br ZINC000459570574 331288494 /nfs/dbraw/zinc/28/84/94/331288494.db2.gz DSISSHHTAKISKW-PWSUYJOCSA-N 0 1 298.180 2.588 20 30 CFEDMN CC(C)(CC#N)CNCc1ccc(Br)cn1 ZINC000459728846 331296252 /nfs/dbraw/zinc/29/62/52/331296252.db2.gz JDSKDOGDLPCXRE-UHFFFAOYSA-N 0 1 282.185 2.874 20 30 CFEDMN C=CCn1cccc1C(=O)NCc1nc2ccc(C)cc2[nH]1 ZINC000488755852 332024306 /nfs/dbraw/zinc/02/43/06/332024306.db2.gz YQDPGSCNXGZINN-UHFFFAOYSA-N 0 1 294.358 2.789 20 30 CFEDMN C=CCOCCCC(=O)Nc1nc2ccc(F)cc2[nH]1 ZINC000488924854 332034043 /nfs/dbraw/zinc/03/40/43/332034043.db2.gz HGBWGQQXFPMVBX-UHFFFAOYSA-N 0 1 277.299 2.623 20 30 CFEDMN C=C[C@H]1CCCCN1CC(=O)N(CC(C)C)C1CC1 ZINC000489431279 332051872 /nfs/dbraw/zinc/05/18/72/332051872.db2.gz DUQLWIPTTRRLOX-AWEZNQCLSA-N 0 1 264.413 2.674 20 30 CFEDMN C=C[C@@H]1CCCCN1CC(=O)N1[C@H](C)CCC[C@H]1C ZINC000489484870 332055739 /nfs/dbraw/zinc/05/57/39/332055739.db2.gz QFGVNBVFFLMALK-RBSFLKMASA-N 0 1 264.413 2.816 20 30 CFEDMN C#CCN1CCC(C(=O)N(C(CC)CC)C2CC2)CC1 ZINC000490594676 332094321 /nfs/dbraw/zinc/09/43/21/332094321.db2.gz UVZNZJWVWFPALN-UHFFFAOYSA-N 0 1 276.424 2.511 20 30 CFEDMN C#CCN1CCC(C(=O)N(C)CCC2CCCCC2)CC1 ZINC000490604245 332094869 /nfs/dbraw/zinc/09/48/69/332094869.db2.gz JBZXMPKDYMDGHJ-UHFFFAOYSA-N 0 1 290.451 2.760 20 30 CFEDMN C#CCNC(=O)c1cccc2nc(-c3cccs3)[nH]c21 ZINC000490951615 332132969 /nfs/dbraw/zinc/13/29/69/332132969.db2.gz ZIKCINFQLPCXCN-UHFFFAOYSA-N 0 1 281.340 2.654 20 30 CFEDMN C#C[C@@H](NC(=O)N(C)Cc1cc(C(C)(C)C)[nH]n1)C(C)C ZINC000490962375 332133632 /nfs/dbraw/zinc/13/36/32/332133632.db2.gz MRAQTOGZNXIJFM-CYBMUJFWSA-N 0 1 290.411 2.506 20 30 CFEDMN C#CCN(Cc1cnc(CC)nc1)C1CCCCC1 ZINC000491337791 332192218 /nfs/dbraw/zinc/19/22/18/332192218.db2.gz CTVZYAVWQIXVDD-UHFFFAOYSA-N 0 1 257.381 2.807 20 30 CFEDMN C#CCN1CCC[C@H]1COC(=O)[C@H](CC)CC(F)(F)F ZINC000491462132 332215983 /nfs/dbraw/zinc/21/59/83/332215983.db2.gz HIBMMFDWIHSQDO-NEPJUHHUSA-N 0 1 291.313 2.606 20 30 CFEDMN C#C[C@H](C)N(C)Cc1cc(Cl)c(OC)c(OC)c1 ZINC000491515409 332227300 /nfs/dbraw/zinc/22/73/00/332227300.db2.gz NPCQJWFORMKRHC-JTQLQIEISA-N 0 1 267.756 2.811 20 30 CFEDMN C#C[C@@H](CC)NCc1c(C(C)C)nc2sc(C)nn12 ZINC000491555460 332237458 /nfs/dbraw/zinc/23/74/58/332237458.db2.gz RFOCBKJFMOATDW-NSHDSACASA-N 0 1 276.409 2.724 20 30 CFEDMN C=CCCCN(C)CC(=O)N1CCCc2ccccc21 ZINC000172180129 335096675 /nfs/dbraw/zinc/09/66/75/335096675.db2.gz QYUVDCAEDINGQZ-UHFFFAOYSA-N 0 1 272.392 2.864 20 30 CFEDMN C#C[C@H](C)N(C)Cc1cn(C)nc1-c1cccs1 ZINC000491659352 332269752 /nfs/dbraw/zinc/26/97/52/332269752.db2.gz MEEIEKQIEAOJSB-NSHDSACASA-N 0 1 259.378 2.602 20 30 CFEDMN C#C[C@@H](CC)NCc1ccc(OC)cc1OC(F)F ZINC000491711526 332303169 /nfs/dbraw/zinc/30/31/69/332303169.db2.gz VOEWOUJWVYRVKH-NSHDSACASA-N 0 1 269.291 2.798 20 30 CFEDMN C#C[C@H](NC(=O)c1[nH]nc2c1CCC2)c1ccc(Cl)cc1 ZINC000491754389 332329404 /nfs/dbraw/zinc/32/94/04/332329404.db2.gz SJOWUNBGTMHAHW-ZDUSSCGKSA-N 0 1 299.761 2.656 20 30 CFEDMN C#CCN(Cc1ccccc1)C[C@H](O)c1ccc(C#N)cc1 ZINC000491759060 332330990 /nfs/dbraw/zinc/33/09/90/332330990.db2.gz LCQQMNPXCZXGEV-IBGZPJMESA-N 0 1 290.366 2.727 20 30 CFEDMN C#C[C@H](NCc1cnc(-c2ccccc2)nc1)C(C)C ZINC000491774261 332340308 /nfs/dbraw/zinc/34/03/08/332340308.db2.gz CHRVCQBCOFSRED-INIZCTEOSA-N 0 1 265.360 2.891 20 30 CFEDMN C#CCN1CCC(C(=O)Oc2cccc(C)c2C)CC1 ZINC000491777886 332343134 /nfs/dbraw/zinc/34/31/34/332343134.db2.gz HDWNEHGHGCINGE-UHFFFAOYSA-N 0 1 271.360 2.554 20 30 CFEDMN CC(C)C[C@@H](CNC[C@H](C)C#N)NC(=O)OC(C)(C)C ZINC000496219063 332542771 /nfs/dbraw/zinc/54/27/71/332542771.db2.gz WSMGXKAONDYPAA-OLZOCXBDSA-N 0 1 283.416 2.675 20 30 CFEDMN C=C(C)CN(CC)CC(=O)NCCC1CCCCC1 ZINC000513744784 333037240 /nfs/dbraw/zinc/03/72/40/333037240.db2.gz PJANHRSITWSAPG-UHFFFAOYSA-N 0 1 266.429 2.971 20 30 CFEDMN C=C(C)COCCN[C@H](C)c1cn2ccccc2n1 ZINC000517040531 333090744 /nfs/dbraw/zinc/09/07/44/333090744.db2.gz UFLLMCCWTCQBHY-CYBMUJFWSA-N 0 1 259.353 2.578 20 30 CFEDMN C=CCN1CC[C@@H](N(CC)Cc2ccc(C)cc2)C1=O ZINC000517544441 333101809 /nfs/dbraw/zinc/10/18/09/333101809.db2.gz MESPIRCHUGSVIU-MRXNPFEDSA-N 0 1 272.392 2.604 20 30 CFEDMN CCC(CC)CN(CCC#N)C[C@@H](O)CC(F)(F)F ZINC000189499632 333193862 /nfs/dbraw/zinc/19/38/62/333193862.db2.gz VBLSMWMASKYJMY-LBPRGKRZSA-N 0 1 280.334 2.952 20 30 CFEDMN C[C@@H](NC[C@@H](C#N)CCC#N)c1cccc(-n2cccn2)c1 ZINC000173206370 335129661 /nfs/dbraw/zinc/12/96/61/335129661.db2.gz MSDCBDRSBLVGEE-HUUCEWRRSA-N 0 1 293.374 2.966 20 30 CFEDMN COc1cc(CN2CCC(CC#N)CC2)ccc1[N+](=O)[O-] ZINC000541949055 333803312 /nfs/dbraw/zinc/80/33/12/333803312.db2.gz QUAKRGHWUVTIDE-UHFFFAOYSA-N 0 1 289.335 2.729 20 30 CFEDMN C[C@H](C(=O)N(C)c1ccccc1)N1CCC(CC#N)CC1 ZINC000542879786 333847576 /nfs/dbraw/zinc/84/75/76/333847576.db2.gz VTSZFCQTCPQBIP-CQSZACIVSA-N 0 1 285.391 2.664 20 30 CFEDMN COC(=O)c1oc(CN2CCC(CC#N)CC2)cc1C ZINC000543808503 333901361 /nfs/dbraw/zinc/90/13/61/333901361.db2.gz QQINVEZWBSWGEW-UHFFFAOYSA-N 0 1 276.336 2.500 20 30 CFEDMN COc1nc2ccccc2cc1CNCCCC#N ZINC000544175650 333919670 /nfs/dbraw/zinc/91/96/70/333919670.db2.gz ZVSKPZMBZPNVJR-UHFFFAOYSA-N 0 1 255.321 2.637 20 30 CFEDMN C=CCOc1ccc(CNCc2cccc(C(N)=O)c2)cc1 ZINC000075674375 334048638 /nfs/dbraw/zinc/04/86/38/334048638.db2.gz OJYDTJKPIDTBOC-UHFFFAOYSA-N 0 1 296.370 2.640 20 30 CFEDMN C#CCN1CCC(C(=O)N2CCC[C@H]2C(C)(C)CC)CC1 ZINC000133828899 334061743 /nfs/dbraw/zinc/06/17/43/334061743.db2.gz FPCWFVLSSXKDAC-INIZCTEOSA-N 0 1 290.451 2.759 20 30 CFEDMN C#CCN1CCC(C(=O)N2CCC[C@@H]2C(C)(C)CC)CC1 ZINC000133829067 334062342 /nfs/dbraw/zinc/06/23/42/334062342.db2.gz FPCWFVLSSXKDAC-MRXNPFEDSA-N 0 1 290.451 2.759 20 30 CFEDMN CC[C@@H](CC#N)N[C@H](C)CC(=O)Nc1cccc(C)c1 ZINC000547287128 334076035 /nfs/dbraw/zinc/07/60/35/334076035.db2.gz BZRVRTFUQDLVBG-KGLIPLIRSA-N 0 1 273.380 2.994 20 30 CFEDMN C[C@@H](C(=O)N(C)C1(C#N)CCC(C)CC1)[N@@H+](C)CC1CC1 ZINC000077194719 334098121 /nfs/dbraw/zinc/09/81/21/334098121.db2.gz RTYVWRKRKXSXPT-UUCFBXCCSA-N 0 1 291.439 2.648 20 30 CFEDMN C=CCOCCC[N@H+]1CCO[C@H](c2ccccc2C)C1 ZINC000547768177 334115903 /nfs/dbraw/zinc/11/59/03/334115903.db2.gz CYTVGJMNMLGKDG-KRWDZBQOSA-N 0 1 275.392 2.961 20 30 CFEDMN C=CCOCCCN1CCO[C@H](c2ccccc2C)C1 ZINC000547768177 334115904 /nfs/dbraw/zinc/11/59/04/334115904.db2.gz CYTVGJMNMLGKDG-KRWDZBQOSA-N 0 1 275.392 2.961 20 30 CFEDMN COC(=O)c1ccc(CN2CCC(CC#N)CC2)c(F)c1 ZINC000547767715 334115956 /nfs/dbraw/zinc/11/59/56/334115956.db2.gz NJENAZRIMICESJ-UHFFFAOYSA-N 0 1 290.338 2.738 20 30 CFEDMN CCCN1C(=O)N=NC1SCC#Cc1ccc(F)cc1 ZINC000135262108 334122458 /nfs/dbraw/zinc/12/24/58/334122458.db2.gz LQVCGPPHRNIPGX-UHFFFAOYSA-N 0 1 291.351 2.677 20 30 CFEDMN CCCN1C(=O)N=NC1SCc1ccc(CC#N)cc1 ZINC000342194109 335178090 /nfs/dbraw/zinc/17/80/90/335178090.db2.gz CASWRLHRYJIOMW-UHFFFAOYSA-N 0 1 288.376 2.752 20 30 CFEDMN C=CCNC(=O)CN(C)C1c2ccccc2-c2ccccc21 ZINC000081596893 334198582 /nfs/dbraw/zinc/19/85/82/334198582.db2.gz LTVULTKIRIGSRR-UHFFFAOYSA-N 0 1 292.382 2.990 20 30 CFEDMN N#C[C@@H]1CC[C@@H](N2CCN(Cc3ccsc3)CC2)C1 ZINC000549746831 334203534 /nfs/dbraw/zinc/20/35/34/334203534.db2.gz CZJKGBCGMGVXAC-UKRRQHHQSA-N 0 1 275.421 2.558 20 30 CFEDMN N#C[C@@H]1CC[C@H](N2CCC[C@H](OCC(F)(F)F)C2)C1 ZINC000549844434 334206331 /nfs/dbraw/zinc/20/63/31/334206331.db2.gz UPGUNNVWAZHCSH-WOPDTQHZSA-N 0 1 276.302 2.722 20 30 CFEDMN C[C@H](c1ccccc1)[N@@H+](CC(=O)NC1(C#N)CCC1)C1CC1 ZINC000552155686 334296142 /nfs/dbraw/zinc/29/61/42/334296142.db2.gz ZEHGUFKLFMBMJW-CQSZACIVSA-N 0 1 297.402 2.774 20 30 CFEDMN C[C@H](c1ccccc1)N(CC(=O)NC1(C#N)CCC1)C1CC1 ZINC000552155686 334296144 /nfs/dbraw/zinc/29/61/44/334296144.db2.gz ZEHGUFKLFMBMJW-CQSZACIVSA-N 0 1 297.402 2.774 20 30 CFEDMN N#CCCNCC1(c2c(F)cccc2F)CCC1 ZINC000567694208 334752762 /nfs/dbraw/zinc/75/27/62/334752762.db2.gz LDYNBSZNKBBXKF-UHFFFAOYSA-N 0 1 250.292 2.890 20 30 CFEDMN C=CCCCCN1CCN(C(=O)c2ccsc2)CC1 ZINC000576547779 335217641 /nfs/dbraw/zinc/21/76/41/335217641.db2.gz BLXKIBJBPDRZDD-UHFFFAOYSA-N 0 1 278.421 2.862 20 30 CFEDMN C=C(C)CC[N@H+]1CC[C@](C(=O)[O-])(c2ccccc2)C1 ZINC000576881580 335259771 /nfs/dbraw/zinc/25/97/71/335259771.db2.gz VBKRCLCOPSRERA-MRXNPFEDSA-N 0 1 259.349 2.681 20 30 CFEDMN C=CCCCCN1CCN(CC(F)(F)F)[C@H](C)C1 ZINC000577054265 335291817 /nfs/dbraw/zinc/29/18/17/335291817.db2.gz QFPQJPJZEJFBBV-GFCCVEGCSA-N 0 1 264.335 2.911 20 30 CFEDMN CCOc1cccc([C@@H]2C[C@H]2NC[C@H](C#N)CCC#N)c1 ZINC000580614190 335300689 /nfs/dbraw/zinc/30/06/89/335300689.db2.gz LPWJJDQZYHGKSR-RRQGHBQHSA-N 0 1 283.375 2.974 20 30 CFEDMN N#CCCN[C@@H]1C[C@H]1c1ccc(OC(F)F)cc1 ZINC000577275525 335333521 /nfs/dbraw/zinc/33/35/21/335333521.db2.gz CPHSDHRZESFULG-NWDGAFQWSA-N 0 1 252.264 2.647 20 30 CFEDMN N#CCC[C@H](C#N)CNC[C@@H]1CSc2ccccc21 ZINC000578970777 335694015 /nfs/dbraw/zinc/69/40/15/335694015.db2.gz HALCKHFGUHHKOU-CHWSQXEVSA-N 0 1 271.389 2.909 20 30 CFEDMN C=C(C)COCCN[C@@H](COC)c1ccc(F)c(F)c1 ZINC000183338379 335889042 /nfs/dbraw/zinc/88/90/42/335889042.db2.gz GPSFJHIJYYSRQS-HNNXBMFYSA-N 0 1 285.334 2.835 20 30 CFEDMN CC[C@@H](NCc1ccc(CC#N)cc1)c1nccn1C ZINC000581071397 336004242 /nfs/dbraw/zinc/00/42/42/336004242.db2.gz LPBVGIGXOXQELK-OAHLLOKOSA-N 0 1 268.364 2.727 20 30 CFEDMN C=CCCC[N@H+](C)CCOc1cccc(C(=O)[O-])c1 ZINC000382552813 336093495 /nfs/dbraw/zinc/09/34/95/336093495.db2.gz YEMZHHGLPCUYSM-UHFFFAOYSA-N 0 1 263.337 2.662 20 30 CFEDMN CC(C)(CC#N)CSc1nc(-c2ccccn2)n[nH]1 ZINC000581618550 336113482 /nfs/dbraw/zinc/11/34/82/336113482.db2.gz GGGSAFLWROBFPH-UHFFFAOYSA-N 0 1 273.365 2.899 20 30 CFEDMN C#CCCN1CC[C@H]1CN(C)C(=O)c1cc(C)sc1C ZINC001085706724 782140037 /nfs/dbraw/zinc/14/00/37/782140037.db2.gz VJSGCPAPAVGXDY-AWEZNQCLSA-N 0 1 290.432 2.535 20 30 CFEDMN C=CCN1CC[C@@H]1CN(C)C(=O)c1c(C)[nH]c2ccccc21 ZINC001085710918 782141242 /nfs/dbraw/zinc/14/12/42/782141242.db2.gz VTEZWZONBUDJFR-CQSZACIVSA-N 0 1 297.402 2.809 20 30 CFEDMN C[C@H](CN(CC1(C#N)CC1)[C@@H](C)CO)c1ccccc1 ZINC000347466997 534033591 /nfs/dbraw/zinc/03/35/91/534033591.db2.gz ZWKNCWDUGBJHDH-CABCVRRESA-N 0 1 272.392 2.777 20 30 CFEDMN O=C(Nc1nncn1C1CC1)[C@H]1CCCN1C1CCCC1 ZINC000329114638 534335045 /nfs/dbraw/zinc/33/50/45/534335045.db2.gz MFMDBLPHFZCNMT-CYBMUJFWSA-N 0 1 289.383 2.608 20 30 CFEDMN CC(C)(C)C1CN(Cc2cnc3ccc(C#N)cn23)C1 ZINC000334782976 518611279 /nfs/dbraw/zinc/61/12/79/518611279.db2.gz MPXOBYZXLHIRKH-UHFFFAOYSA-N 0 1 268.364 2.684 20 30 CFEDMN CC(C)(C)N1CCCN(C(=O)c2ccc(C#N)s2)CC1 ZINC000336100199 518708547 /nfs/dbraw/zinc/70/85/47/518708547.db2.gz IHBZULIZAIQORT-UHFFFAOYSA-N 0 1 291.420 2.566 20 30 CFEDMN CC(C)N(CC(=O)NC(C)(C)C)Cc1ccc(C#N)cc1 ZINC000063751111 519635772 /nfs/dbraw/zinc/63/57/72/519635772.db2.gz XAMQTFLNJIIKPC-UHFFFAOYSA-N 0 1 287.407 2.683 20 30 CFEDMN CC(C)CCN(C)CC(=O)Nc1sccc1C#N ZINC000049237405 519650975 /nfs/dbraw/zinc/65/09/75/519650975.db2.gz WJEFDLJUITVIJP-UHFFFAOYSA-N 0 1 265.382 2.536 20 30 CFEDMN CCCCOC1CCN(Cc2cc(C#N)n(C)c2)CC1 ZINC000361562424 520729193 /nfs/dbraw/zinc/72/91/93/520729193.db2.gz BXNZAOXPTDLOMQ-UHFFFAOYSA-N 0 1 275.396 2.678 20 30 CFEDMN CCN1C[C@H](C)N(C(=O)[C@@H](C)c2cccc(C#N)c2)[C@@H](C)C1 ZINC000362277778 521728920 /nfs/dbraw/zinc/72/89/20/521728920.db2.gz HUGIDGYQJJEMRI-KKUMJFAQSA-N 0 1 299.418 2.603 20 30 CFEDMN C=CCCC(=O)NC[C@H](c1ccc(F)cc1)N(C)C ZINC000263822468 534615198 /nfs/dbraw/zinc/61/51/98/534615198.db2.gz QMUKBMQTUPNYPH-CQSZACIVSA-N 0 1 264.344 2.511 20 30 CFEDMN COC[C@@H]1CCN(Cc2ccc(C#N)cc2Cl)C1 ZINC000162913696 522474795 /nfs/dbraw/zinc/47/47/95/522474795.db2.gz JEPDVSYXIGSHGF-GFCCVEGCSA-N 0 1 264.756 2.680 20 30 CFEDMN CCc1nccc([C@@H]2CCCN(Cc3ccc(C#N)o3)C2)n1 ZINC000360793122 522577725 /nfs/dbraw/zinc/57/77/25/522577725.db2.gz YWNSGTLVYWOGLC-CYBMUJFWSA-N 0 1 296.374 2.883 20 30 CFEDMN Cc1nc2c(cccc2C(=O)N2CCC(CC#N)CC2)[nH]1 ZINC000335926604 534666468 /nfs/dbraw/zinc/66/64/68/534666468.db2.gz QGRMRYOUCYNACF-UHFFFAOYSA-N 0 1 282.347 2.637 20 30 CFEDMN COc1cc([C@H](C)NCc2cccc(C#N)c2)ccn1 ZINC000340472694 522945562 /nfs/dbraw/zinc/94/55/62/522945562.db2.gz KMGSTQOMNOIOQT-LBPRGKRZSA-N 0 1 267.332 2.813 20 30 CFEDMN CN(CCc1ccncc1)Cc1cccc(C#N)c1F ZINC000227114493 522978134 /nfs/dbraw/zinc/97/81/34/522978134.db2.gz HNQSPEAYDDTYCO-UHFFFAOYSA-N 0 1 269.323 2.767 20 30 CFEDMN COc1ccc(C#N)cc1CN1CCC[C@@](C)(OC)C1 ZINC000230265294 523524195 /nfs/dbraw/zinc/52/41/95/523524195.db2.gz HZUNIQGYXJOIFF-MRXNPFEDSA-N 0 1 274.364 2.568 20 30 CFEDMN O=C(N[C@@H]1CCCC(F)(F)C1)N[C@@H]1CCCc2cn[nH]c21 ZINC000330248055 534758422 /nfs/dbraw/zinc/75/84/22/534758422.db2.gz ZCPWUUUDTJPZSA-GHMZBOCLSA-N 0 1 298.337 2.869 20 30 CFEDMN C[C@@H]1CCCC[C@@H]1C(=O)N=c1[nH]n(C(C)(C)C)cc1C#N ZINC000335110927 524120483 /nfs/dbraw/zinc/12/04/83/524120483.db2.gz PSKHLGOTCXUUJR-YPMHNXCESA-N 0 1 288.395 2.696 20 30 CFEDMN C[C@H]1[C@@H](C(F)(F)F)CCN1Cc1cc(C#N)n(C)c1 ZINC000334782039 525081865 /nfs/dbraw/zinc/08/18/65/525081865.db2.gz SADUZVMQTVSMAB-CABZTGNLSA-N 0 1 271.286 2.669 20 30 CFEDMN C[C@H](NCC(=O)NCc1ccccc1)c1ccc(C#N)cc1 ZINC000315534501 525308328 /nfs/dbraw/zinc/30/83/28/525308328.db2.gz GOTFKPGQACUTFH-AWEZNQCLSA-N 0 1 293.370 2.525 20 30 CFEDMN C=CCN1CCC(Nc2nnc(C(C)C)s2)CC1 ZINC000269384052 534847206 /nfs/dbraw/zinc/84/72/06/534847206.db2.gz SYJJBRAUYLRORK-UHFFFAOYSA-N 0 1 266.414 2.724 20 30 CFEDMN C=CCN1CCC(Nc2nnc(C(C)(C)C)s2)CC1 ZINC000269316352 534847576 /nfs/dbraw/zinc/84/75/76/534847576.db2.gz FPVGFUCMRSFRAE-UHFFFAOYSA-N 0 1 280.441 2.898 20 30 CFEDMN Cc1n[nH]cc1C(=O)C(C#N)c1ccc(C(F)(F)F)cn1 ZINC000347583183 534850055 /nfs/dbraw/zinc/85/00/55/534850055.db2.gz UMMUQISADYNMLU-SECBINFHSA-N 0 1 294.236 2.622 20 30 CFEDMN Cc1n[nH]cc1C(=O)[C@H](C#N)c1ccc(C(F)(F)F)cn1 ZINC000347583183 534850057 /nfs/dbraw/zinc/85/00/57/534850057.db2.gz UMMUQISADYNMLU-SECBINFHSA-N 0 1 294.236 2.622 20 30 CFEDMN C[C@H](N[C@@H](C)c1cccnc1)C(=O)Nc1ccccc1C#N ZINC000194722444 525538895 /nfs/dbraw/zinc/53/88/95/525538895.db2.gz WJWSHFYLLSIWAT-STQMWFEESA-N 0 1 294.358 2.631 20 30 CFEDMN C[C@@H](N[C@@H](C)c1ccnn1C)c1ccc(C#N)cc1 ZINC000235193681 525619385 /nfs/dbraw/zinc/61/93/85/525619385.db2.gz KSYZIUIWNKTIAI-NEPJUHHUSA-N 0 1 254.337 2.704 20 30 CFEDMN Cc1cc2[nH]ncc2cc1NC(=O)Cc1ccc(C#N)cc1 ZINC000360412817 525665067 /nfs/dbraw/zinc/66/50/67/525665067.db2.gz INCZSTPGYXRCPJ-UHFFFAOYSA-N 0 1 290.326 2.924 20 30 CFEDMN Cc1ccsc1[C@H](CO)NCc1ccc(C#N)c(F)c1 ZINC000361754575 525890832 /nfs/dbraw/zinc/89/08/32/525890832.db2.gz NUJDURKLGUGMMW-AWEZNQCLSA-N 0 1 290.363 2.891 20 30 CFEDMN Cc1cc(C#N)cc(N2CCN(Cc3ccccc3)CC2)n1 ZINC000309800536 526182285 /nfs/dbraw/zinc/18/22/85/526182285.db2.gz TWPNCCAWDJYMJN-UHFFFAOYSA-N 0 1 292.386 2.584 20 30 CFEDMN N#Cc1cc(NC(=O)c2ccc3cncn3c2)ccc1F ZINC000339928995 526570042 /nfs/dbraw/zinc/57/00/42/526570042.db2.gz IXUHHISZZSGKML-UHFFFAOYSA-N 0 1 280.262 2.597 20 30 CFEDMN C=CCNC(=O)CN[C@H](c1ccc(C)o1)C1CCCC1 ZINC000349799975 526573453 /nfs/dbraw/zinc/57/34/53/526573453.db2.gz LZVIUAIKXKGJQT-INIZCTEOSA-N 0 1 276.380 2.711 20 30 CFEDMN C=CCNC(=O)CN[C@@H]1CCc2c1cc(Cl)cc2Cl ZINC000347338606 526574093 /nfs/dbraw/zinc/57/40/93/526574093.db2.gz MTNQHEOZWLBITK-CYBMUJFWSA-N 0 1 299.201 2.873 20 30 CFEDMN N#Cc1ccc(CN2CCC(n3ccnc3)CC2)cc1F ZINC000192061892 526611492 /nfs/dbraw/zinc/61/14/92/526611492.db2.gz AOXGSZCIBBHFOC-UHFFFAOYSA-N 0 1 284.338 2.731 20 30 CFEDMN N#Cc1ccc(C[N@@H+]2CCCC[C@@H]2CCC(=O)[O-])cc1 ZINC000050924583 526612299 /nfs/dbraw/zinc/61/22/99/526612299.db2.gz OZVCGDZOKAFYLY-OAHLLOKOSA-N 0 1 272.348 2.778 20 30 CFEDMN N#Cc1ccc(CN2CC[C@H](Oc3ccncc3)C2)cc1F ZINC000361834671 526617210 /nfs/dbraw/zinc/61/72/10/526617210.db2.gz WGZDPXPYIDNUQH-INIZCTEOSA-N 0 1 297.333 2.746 20 30 CFEDMN C=CCOCCCN(C)Cc1ccc(F)cc1F ZINC000347968949 526748584 /nfs/dbraw/zinc/74/85/84/526748584.db2.gz RUJLCHAXBJZSKN-UHFFFAOYSA-N 0 1 255.308 2.989 20 30 CFEDMN C#CCN1CCC(c2nc(-c3cccs3)no2)CC1 ZINC000109460436 526936299 /nfs/dbraw/zinc/93/62/99/526936299.db2.gz PPUFJFHKHSEYSL-UHFFFAOYSA-N 0 1 273.361 2.611 20 30 CFEDMN C=CCCCN(C)CC(=O)Nc1ccc(F)cc1 ZINC000344601820 527192563 /nfs/dbraw/zinc/19/25/63/527192563.db2.gz OKAWOHLRYJFHMN-UHFFFAOYSA-N 0 1 250.317 2.662 20 30 CFEDMN Cn1cc(CN2CC3(CCCC3)OC(C)(C)C2)cc1C#N ZINC000191541977 527195586 /nfs/dbraw/zinc/19/55/86/527195586.db2.gz NKNJXNFMWOHEJT-UHFFFAOYSA-N 0 1 287.407 2.820 20 30 CFEDMN Cn1cc(CN2CCC[C@@H]2c2ccco2)cc1C#N ZINC000191351024 527202199 /nfs/dbraw/zinc/20/21/99/527202199.db2.gz UEZWXPJHWXNXNH-CQSZACIVSA-N 0 1 255.321 2.827 20 30 CFEDMN Cn1cc(CN2CC[C@@H](Oc3cccc(F)c3)C2)cc1C#N ZINC000191474626 527205286 /nfs/dbraw/zinc/20/52/86/527205286.db2.gz XJLAHACJAKUMMJ-QGZVFWFLSA-N 0 1 299.349 2.689 20 30 CFEDMN C=CCCOCCCCC(=O)N1[C@H](C)CN(CC)C[C@@H]1C ZINC000344454822 527334896 /nfs/dbraw/zinc/33/48/96/527334896.db2.gz OQQWPDDXHOPTPQ-IYBDPMFKSA-N 0 1 296.455 2.691 20 30 CFEDMN CC(C)(NC(=O)[C@@H]1CCc2[nH]nnc2C1)c1cccs1 ZINC000329170498 527445495 /nfs/dbraw/zinc/44/54/95/527445495.db2.gz KAQQQRVTSALXKO-SECBINFHSA-N 0 1 290.392 2.863 20 30 CFEDMN CC(C)(NC(=O)[C@@H]1CCc2nn[nH]c2C1)c1cccs1 ZINC000329170498 527445501 /nfs/dbraw/zinc/44/55/01/527445501.db2.gz KAQQQRVTSALXKO-SECBINFHSA-N 0 1 290.392 2.863 20 30 CFEDMN C=CCN(CC=C)Cc1ccc2c(c1)sc(=O)n2C ZINC000194971755 527643920 /nfs/dbraw/zinc/64/39/20/527643920.db2.gz KQZBYZPLKRFBRE-UHFFFAOYSA-N 0 1 274.389 2.774 20 30 CFEDMN Cc1nn(C)cc1[C@H]1CCCN1Cc1ccc(C#N)cc1 ZINC000366094461 527700742 /nfs/dbraw/zinc/70/07/42/527700742.db2.gz JTRQJZSORSZCAK-QGZVFWFLSA-N 0 1 280.375 2.937 20 30 CFEDMN CCC[C@@H]1C[C@H](C(=O)NC2(c3nnc[nH]3)CCC2)CCO1 ZINC000330342497 527832677 /nfs/dbraw/zinc/83/26/77/527832677.db2.gz AYSOQNAKTOKRIL-VXGBXAGGSA-N 0 1 292.383 2.736 20 30 CFEDMN CCN(C)[C@H](C(=O)N(C)CC(C)(C)C#N)c1ccccc1 ZINC000353286428 527860730 /nfs/dbraw/zinc/86/07/30/527860730.db2.gz DYQDFMIFKJCXGK-HNNXBMFYSA-N 0 1 287.407 2.688 20 30 CFEDMN CCOc1c(CNCCCC#N)c(C)nn1CC(C)C ZINC000344331817 528167385 /nfs/dbraw/zinc/16/73/85/528167385.db2.gz BIBGPVDDPMZZIS-UHFFFAOYSA-N 0 1 278.400 2.640 20 30 CFEDMN CC(C)C[C@H](N)c1noc(COc2ccccc2C#N)n1 ZINC000414627080 528558047 /nfs/dbraw/zinc/55/80/47/528558047.db2.gz YTEZVEJAROBQPQ-LBPRGKRZSA-N 0 1 286.335 2.566 20 30 CFEDMN CCOc1cccnc1C(=O)N[C@H]1CCCc2cn[nH]c21 ZINC000330120523 528762310 /nfs/dbraw/zinc/76/23/10/528762310.db2.gz JAMCVXPMYXAXJN-NSHDSACASA-N 0 1 286.335 2.586 20 30 CFEDMN CC(C)[C@@H]1C[C@@H](C(=O)Nc2cc(C#N)ccc2O)CCO1 ZINC000935108203 649876398 /nfs/dbraw/zinc/87/63/98/649876398.db2.gz NKUFBFZZSJNVFY-WFASDCNBSA-N 0 1 288.347 2.654 20 30 CFEDMN Cc1ccc2c(c1)C(=NNC1=N[C@@H]3CCCC[C@@H]3N1)CCC2 ZINC000753930038 574055405 /nfs/dbraw/zinc/05/54/05/574055405.db2.gz TVTVMFMCVUZQHH-CALCHBBNSA-N 0 1 296.418 2.895 20 30 CFEDMN C(=NNC1=N[C@@H]2CCCC[C@@H]2N1)c1coc2ccccc12 ZINC000753931532 574055666 /nfs/dbraw/zinc/05/56/66/574055666.db2.gz ZOOLQDWCNUQXDN-OKILXGFUSA-N 0 1 282.347 2.627 20 30 CFEDMN Fc1ccc(C=NNC2=N[C@H]3CCCC[C@H]3N2)c(Cl)c1 ZINC000753937922 574056428 /nfs/dbraw/zinc/05/64/28/574056428.db2.gz HTOOBZHQUNDWDW-BETUJISGSA-N 0 1 294.761 2.673 20 30 CFEDMN Fc1ccc(Cl)cc1C=NNC1=N[C@@H]2CCCC[C@@H]2N1 ZINC000753936597 574056764 /nfs/dbraw/zinc/05/67/64/574056764.db2.gz SURFDQDGHSVRFY-BETUJISGSA-N 0 1 294.761 2.673 20 30 CFEDMN CC[C@H](C(=O)OCc1ccc(F)cc1C#N)N(CC)CC ZINC000741032225 574072639 /nfs/dbraw/zinc/07/26/39/574072639.db2.gz BJVPWAFRHNKFIF-OAHLLOKOSA-N 0 1 292.354 2.861 20 30 CFEDMN CCn1nccc1CN=Nc1ccc([N+](=O)[O-])cc1Cl ZINC000753698599 574073108 /nfs/dbraw/zinc/07/31/08/574073108.db2.gz URRBNAJGRAQLKG-UHFFFAOYSA-N 0 1 293.714 2.911 20 30 CFEDMN COCCOc1ccc(C=NNc2ccccn2)cc1 ZINC000730462478 574082240 /nfs/dbraw/zinc/08/22/40/574082240.db2.gz KRZNOSAOQATMMT-UHFFFAOYSA-N 0 1 271.320 2.553 20 30 CFEDMN CC#CCOC(=O)c1[nH]c(-c2ccccc2)nc1C ZINC000744752185 574085589 /nfs/dbraw/zinc/08/55/89/574085589.db2.gz NNUVENIGCFRIIJ-UHFFFAOYSA-N 0 1 254.289 2.565 20 30 CFEDMN C#C[C@@H](CC)NC(=O)[C@H](c1ccccc1)N(CC)CC ZINC000754379200 574092079 /nfs/dbraw/zinc/09/20/79/574092079.db2.gz KCEMUGJOLQUWAT-HOTGVXAUSA-N 0 1 272.392 2.598 20 30 CFEDMN CC(Cc1ccc(Br)cc1F)=Nn1cnnc1 ZINC000730945492 574104428 /nfs/dbraw/zinc/10/44/28/574104428.db2.gz LFVIGKQNCIFANT-UHFFFAOYSA-N 0 1 297.131 2.646 20 30 CFEDMN Cc1nc2c(s1)C(=NNc1ccccn1)CCC2 ZINC000730946421 574104671 /nfs/dbraw/zinc/10/46/71/574104671.db2.gz VICRPTRQVUPRKF-UHFFFAOYSA-N 0 1 258.350 2.999 20 30 CFEDMN C[C@@H]1CC(N=Nc2ccc(C(F)(F)F)nn2)CN1C1CC1 ZINC000754711224 574115528 /nfs/dbraw/zinc/11/55/28/574115528.db2.gz VAAGWNVKXOTMOW-MRVPVSSYSA-N 0 1 299.300 2.520 20 30 CFEDMN CC(=NNc1ccc(F)cn1)c1cnn(C(C)C)c1 ZINC000731318686 574116765 /nfs/dbraw/zinc/11/67/65/574116765.db2.gz LBUDOJNIWPYYFK-UHFFFAOYSA-N 0 1 261.304 2.834 20 30 CFEDMN COc1ccc(C)cc1C=NNc1ccc(F)cn1 ZINC000731321471 574116862 /nfs/dbraw/zinc/11/68/62/574116862.db2.gz JSRGHMOHXIRFFK-UHFFFAOYSA-N 0 1 259.284 2.984 20 30 CFEDMN Fc1ccc(-n2cc(CN=Nc3ccc(F)cn3)cn2)cc1 ZINC000731319006 574116921 /nfs/dbraw/zinc/11/69/21/574116921.db2.gz QMZQCFLAPSPWQH-UHFFFAOYSA-N 0 1 299.284 2.992 20 30 CFEDMN C[C@@H]1C[C@@H](/N=C/c2cc(Cl)ccc2O)CC[N@H+]1C ZINC000741464054 574120270 /nfs/dbraw/zinc/12/02/70/574120270.db2.gz KJXWVTCGOTWXSO-OAOOSLTHSA-N 0 1 266.772 2.947 20 30 CFEDMN C[C@@H]1C[C@@H](/N=C\c2cc(Cl)ccc2O)CC[N@H+]1C ZINC000741464059 574120353 /nfs/dbraw/zinc/12/03/53/574120353.db2.gz KJXWVTCGOTWXSO-WVRUFHCLSA-N 0 1 266.772 2.947 20 30 CFEDMN CCCCCCCCNC(=O)NCc1cc(C)[nH]n1 ZINC000754857113 574125359 /nfs/dbraw/zinc/12/53/59/574125359.db2.gz AJXLPVUYFBXVAY-UHFFFAOYSA-N 0 1 266.389 2.878 20 30 CFEDMN Cc1ccsc1CN=Nc1ccccc1S(C)(=O)=O ZINC000731933022 574135394 /nfs/dbraw/zinc/13/53/94/574135394.db2.gz IMZOANMPBZFOEQ-UHFFFAOYSA-N 0 1 294.401 2.906 20 30 CFEDMN Cc1cc(N=NCc2csc(-c3ccccn3)n2)ncn1 ZINC000731935190 574135756 /nfs/dbraw/zinc/13/57/56/574135756.db2.gz QCQDNOZNCOVQDE-UHFFFAOYSA-N 0 1 296.359 2.750 20 30 CFEDMN C[N@@H+](Cc1ccccc1O)[C@H](C(=O)[O-])c1ccc(C#N)cc1 ZINC000737494363 574145313 /nfs/dbraw/zinc/14/53/13/574145313.db2.gz NCTJUPOYXDRQCU-INIZCTEOSA-N 0 1 296.326 2.522 20 30 CFEDMN CC[C@@H](C)c1ccc(C(=O)NC2(C#N)CCN(C)CC2)cc1 ZINC000755336915 574155000 /nfs/dbraw/zinc/15/50/00/574155000.db2.gz VVHPULPEVLFYHI-CQSZACIVSA-N 0 1 299.418 2.918 20 30 CFEDMN N#Cc1ccccc1C=NN=c1[nH]c2ccccc2[nH]1 ZINC000755491339 574165268 /nfs/dbraw/zinc/16/52/68/574165268.db2.gz XDSRHSORTIQPPC-UHFFFAOYSA-N 0 1 261.288 2.881 20 30 CFEDMN Brc1ccc(NN=C2CCn3cccc32)cn1 ZINC000732713112 574166692 /nfs/dbraw/zinc/16/66/92/574166692.db2.gz PIAYHAIHPGIEIR-UHFFFAOYSA-N 0 1 291.152 2.866 20 30 CFEDMN COc1cc2c(c(C=NNc3ccccn3)c1)O[C@@H](C)C2 ZINC000755518366 574167212 /nfs/dbraw/zinc/16/72/12/574167212.db2.gz AGDZRIICMXAFJZ-NSHDSACASA-N 0 1 283.331 2.860 20 30 CFEDMN N#CC(C(=O)Cc1ccc2c(c1)COC2)c1ccccn1 ZINC000755597948 574170614 /nfs/dbraw/zinc/17/06/14/574170614.db2.gz CVJHGWOIGDLDTQ-HNNXBMFYSA-N 0 1 278.311 2.531 20 30 CFEDMN CCc1nc2ccccc2n1N=Cc1[nH]cnc1C ZINC000755625835 574172741 /nfs/dbraw/zinc/17/27/41/574172741.db2.gz UFZPKIJSNRTBDZ-UHFFFAOYSA-N 0 1 253.309 2.512 20 30 CFEDMN C(=NNc1nccc2sccc21)c1cnc2ncccn12 ZINC000755651712 574175105 /nfs/dbraw/zinc/17/51/05/574175105.db2.gz YHKJDZAYULATPT-UHFFFAOYSA-N 0 1 294.343 2.785 20 30 CFEDMN CC(C)(C)C[N@@H+](CCC#N)CC1CCN(C(=O)[O-])CC1 ZINC000738698447 574180983 /nfs/dbraw/zinc/18/09/83/574180983.db2.gz RJTIGUATWAREAX-UHFFFAOYSA-N 0 1 281.400 2.638 20 30 CFEDMN CCn1ccnc1C=NNc1cc(F)c(F)cc1F ZINC000755729759 574182214 /nfs/dbraw/zinc/18/22/14/574182214.db2.gz FIHQWICFKKENGS-UHFFFAOYSA-N 0 1 268.242 2.766 20 30 CFEDMN C=CCOCC(=O)C(C#N)c1nc(C(C)C)cs1 ZINC000747198062 574187037 /nfs/dbraw/zinc/18/70/37/574187037.db2.gz SRBJGSZAXHCDFW-SNVBAGLBSA-N 0 1 264.350 2.645 20 30 CFEDMN Fc1ccc(C=NNC2=N[C@@H]3CCCC[C@H]3N2)cc1Cl ZINC000755815277 574189179 /nfs/dbraw/zinc/18/91/79/574189179.db2.gz SGDYAFFYVDXYJF-CHWSQXEVSA-N 0 1 294.761 2.673 20 30 CFEDMN Oc1c(Cl)cccc1C=NO[C@@H]1CCCCO1 ZINC000755825108 574190864 /nfs/dbraw/zinc/19/08/64/574190864.db2.gz UCSLRIYKEAIHIG-LLVKDONJSA-N 0 1 255.701 2.923 20 30 CFEDMN COc1cccc(C=NNc2cc(C)ccn2)c1OC ZINC000755901681 574195324 /nfs/dbraw/zinc/19/53/24/574195324.db2.gz HFQKQPACSDJGJQ-UHFFFAOYSA-N 0 1 271.320 2.853 20 30 CFEDMN Cc1ccnc(NN=C2C(=O)Nc3cccc(Cl)c32)c1 ZINC000755899747 574195517 /nfs/dbraw/zinc/19/55/17/574195517.db2.gz FNTQXAZBXGSYHQ-UHFFFAOYSA-N 0 1 286.722 2.812 20 30 CFEDMN N#CCCC[N@H+](CCC(=O)[O-])Cc1ccc(F)c(F)c1 ZINC000739072591 574196681 /nfs/dbraw/zinc/19/66/81/574196681.db2.gz JVTYXBIWCLGNOL-UHFFFAOYSA-N 0 1 282.290 2.545 20 30 CFEDMN C=CCCCN(C)CN1CC2(CCCC2)CC1=O ZINC000747456252 574197009 /nfs/dbraw/zinc/19/70/09/574197009.db2.gz HDFZAOTUEBHBRT-UHFFFAOYSA-N 0 1 250.386 2.635 20 30 CFEDMN N#CC(C(=O)NCc1ccccc1)C(=O)[C@@H]1CC12CCCC2 ZINC000747480032 574197369 /nfs/dbraw/zinc/19/73/69/574197369.db2.gz QJDNBVPLNRMHGI-GJZGRUSLSA-N 0 1 296.370 2.592 20 30 CFEDMN N#CC1CCC(COC(=O)[C@H]2CCCc3[nH]ncc32)CC1 ZINC000755965928 574200848 /nfs/dbraw/zinc/20/08/48/574200848.db2.gz MSMJYKYHHYBREG-BPCQOVAHSA-N 0 1 287.363 2.703 20 30 CFEDMN Cc1ccc2c(c1)CCC2=NN=c1cc[nH]c(N(C)C)n1 ZINC000739411815 574212399 /nfs/dbraw/zinc/21/23/99/574212399.db2.gz QGSCJFBGFQPRQC-UHFFFAOYSA-N 0 1 281.363 2.613 20 30 CFEDMN Cc1cc(C)c(C=NN=c2cc[nH]c(N(C)C)n2)cc1C ZINC000739411595 574212511 /nfs/dbraw/zinc/21/25/11/574212511.db2.gz NLGMXGQABPXCLN-UHFFFAOYSA-N 0 1 283.379 2.914 20 30 CFEDMN CCOc1ccc(C(C)=NN=c2cc[nH]c(N(C)C)n2)cc1 ZINC000739413124 574212529 /nfs/dbraw/zinc/21/25/29/574212529.db2.gz HQQZVYQBKIROLG-UHFFFAOYSA-N 0 1 299.378 2.777 20 30 CFEDMN Cc1n[nH]c(C)c1C=NNc1cccc(C(F)(F)F)n1 ZINC000739420792 574212791 /nfs/dbraw/zinc/21/27/91/574212791.db2.gz AIXKTSYYEDCZBH-UHFFFAOYSA-N 0 1 283.257 2.886 20 30 CFEDMN CCn1cc(C=NNc2cccc(C(F)(F)F)n2)cn1 ZINC000739421139 574213148 /nfs/dbraw/zinc/21/31/48/574213148.db2.gz FDCBVZDDUOLJPB-UHFFFAOYSA-N 0 1 283.257 2.763 20 30 CFEDMN OCc1ccc(C=NNc2cccc(C(F)(F)F)n2)o1 ZINC000739422140 574213589 /nfs/dbraw/zinc/21/35/89/574213589.db2.gz SSGPYSMJXGCMFI-UHFFFAOYSA-N 0 1 285.225 2.632 20 30 CFEDMN COC[C@H](C)CC(=O)[C@H](C#N)c1nc2cccc(C)c2[nH]1 ZINC000756289811 574222321 /nfs/dbraw/zinc/22/23/21/574222321.db2.gz KEJANSZLYGIRIH-PWSUYJOCSA-N 0 1 285.347 2.720 20 30 CFEDMN C=CCOc1ccccc1CNC[C@H](OC)C(F)(F)F ZINC000733328983 574222371 /nfs/dbraw/zinc/22/23/71/574222371.db2.gz JHAXHZAMPJCLDU-ZDUSSCGKSA-N 0 1 289.297 2.918 20 30 CFEDMN C[C@@H]1CCC[C@@H](OCC(=O)Nc2cc(C#N)ccc2O)C1 ZINC000748005436 574224239 /nfs/dbraw/zinc/22/42/39/574224239.db2.gz KKASLFUHEWNMLC-DGCLKSJQSA-N 0 1 288.347 2.798 20 30 CFEDMN Cn1c2ccccc2nc1NN=Cc1cnn2ccccc12 ZINC000729637552 574224985 /nfs/dbraw/zinc/22/49/85/574224985.db2.gz OEEOZKWKTFVDGC-UHFFFAOYSA-N 0 1 290.330 2.667 20 30 CFEDMN Cn1ccnc(NN=Cc2c(Cl)cccc2Cl)c1=O ZINC000748078982 574227504 /nfs/dbraw/zinc/22/75/04/574227504.db2.gz IQUDWNWWNYHCNL-UHFFFAOYSA-N 0 1 297.145 2.533 20 30 CFEDMN CCc1cccc(NC(=O)CNCc2cc(C#N)cs2)c1 ZINC000748099057 574229102 /nfs/dbraw/zinc/22/91/02/574229102.db2.gz CKWMKUCZXJIKET-UHFFFAOYSA-N 0 1 299.399 2.910 20 30 CFEDMN C#CCN1CCC[C@H]1COC(=O)C(C)(C)c1ccc(C)cc1 ZINC000729811834 574233258 /nfs/dbraw/zinc/23/32/58/574233258.db2.gz DJJZCUFSFCDCEF-KRWDZBQOSA-N 0 1 299.414 2.913 20 30 CFEDMN Cc1ccc(N=NC2CCOc3c(F)cc(F)cc32)nn1 ZINC000729937820 574239255 /nfs/dbraw/zinc/23/92/55/574239255.db2.gz GLDVZQHADAGTCV-UHFFFAOYSA-N 0 1 290.273 2.662 20 30 CFEDMN C#CCN1CCC[C@H]1COC(=O)C1CCCCCC1 ZINC000756542311 574245176 /nfs/dbraw/zinc/24/51/76/574245176.db2.gz HBFQXSFTNBAPBR-HNNXBMFYSA-N 0 1 263.381 2.598 20 30 CFEDMN C#CCN1CCC[C@@H]1COC(=O)CC1=CCCCC1 ZINC000756544643 574245474 /nfs/dbraw/zinc/24/54/74/574245474.db2.gz VLQBKLBGMQGNGB-OAHLLOKOSA-N 0 1 261.365 2.518 20 30 CFEDMN C#CCN1CCC[C@@H]1COC(=O)c1cccc(C)c1C ZINC000756550229 574246146 /nfs/dbraw/zinc/24/61/46/574246146.db2.gz JKDUOBAAYKCBOD-OAHLLOKOSA-N 0 1 271.360 2.558 20 30 CFEDMN C[C@H](Oc1ccccc1)C(=O)Nc1cc(C#N)ccc1O ZINC000748410634 574251321 /nfs/dbraw/zinc/25/13/21/574251321.db2.gz BHBXJYGNGCQDQE-NSHDSACASA-N 0 1 282.299 2.670 20 30 CFEDMN COC(=O)c1ccc(N=NC(C)c2ccccn2)c(OC)c1 ZINC000756897767 574271350 /nfs/dbraw/zinc/27/13/50/574271350.db2.gz NXNJWKQTTJJLIA-UHFFFAOYSA-N 0 1 299.330 2.713 20 30 CFEDMN C#CCOc1ccccc1CNCc1cnn2ccccc12 ZINC000734159777 574277482 /nfs/dbraw/zinc/27/74/82/574277482.db2.gz XZRJVIUGUJPAMZ-UHFFFAOYSA-N 0 1 291.354 2.636 20 30 CFEDMN C=CC[C@@H](NCc1ccc(CO)o1)c1ccncc1 ZINC000742371492 574279058 /nfs/dbraw/zinc/27/90/58/574279058.db2.gz ZQVCGKXUTOAJOK-OAHLLOKOSA-N 0 1 258.321 2.574 20 30 CFEDMN N#Cc1ccc(CN[C@@H](CCO)c2cccs2)s1 ZINC000749110721 574280287 /nfs/dbraw/zinc/28/02/87/574280287.db2.gz ONGVPZZIWGQDJO-LBPRGKRZSA-N 0 1 278.402 2.895 20 30 CFEDMN CC(=NNc1cc(F)c(F)cc1F)c1cn(C)nc1C ZINC000734302667 574280776 /nfs/dbraw/zinc/28/07/76/574280776.db2.gz JFCIVOJMGMOISG-UHFFFAOYSA-N 0 1 282.269 2.982 20 30 CFEDMN NC(=O)c1ccc(CN=Nc2cc(F)c(F)cc2F)cc1 ZINC000734301862 574280804 /nfs/dbraw/zinc/28/08/04/574280804.db2.gz SHNSSLUWKIPRQY-UHFFFAOYSA-N 0 1 293.248 2.649 20 30 CFEDMN CN(CCC(=O)C(C)(C)C)Cc1ccc(C#N)cc1 ZINC000741157204 574281848 /nfs/dbraw/zinc/28/18/48/574281848.db2.gz XRRHKZNCBKKCKF-UHFFFAOYSA-N 0 1 258.365 2.995 20 30 CFEDMN CN(C)Cc1ccc(NC(=O)C2(C#N)CCCC2)cc1F ZINC000749156107 574282896 /nfs/dbraw/zinc/28/28/96/574282896.db2.gz WTFJYLADOWKJNS-UHFFFAOYSA-N 0 1 289.354 2.910 20 30 CFEDMN CCC(CC)NN=Cc1ccc(N2CCOCC2)c(F)c1 ZINC000734364712 574283798 /nfs/dbraw/zinc/28/37/98/574283798.db2.gz CJJFXUDKRGQYGA-UHFFFAOYSA-N 0 1 293.386 2.774 20 30 CFEDMN CC(=NNc1ccc(C(F)(F)F)cn1)c1cnccn1 ZINC000734743817 574300837 /nfs/dbraw/zinc/30/08/37/574300837.db2.gz MDJJFPPFMNLDIP-UHFFFAOYSA-N 0 1 281.241 2.727 20 30 CFEDMN Fc1ccc2oc(C=NNc3ncnc4nc[nH]c43)cc2c1 ZINC000741762763 574301316 /nfs/dbraw/zinc/30/13/16/574301316.db2.gz SOGNSGRIUTVCCC-UHFFFAOYSA-N 0 1 296.265 2.684 20 30 CFEDMN CC(C)CON=CC1(CN2CCOCC2)CCCCC1 ZINC000749631614 574303128 /nfs/dbraw/zinc/30/31/28/574303128.db2.gz MQUXYMVEDFXIIW-UHFFFAOYSA-N 0 1 282.428 2.928 20 30 CFEDMN C=CCCCN1CCN(C(=O)OC(C)(C)C)[C@@H](C)C1 ZINC000741798004 574304218 /nfs/dbraw/zinc/30/42/18/574304218.db2.gz FVCHYYYPBXPBLS-ZDUSSCGKSA-N 0 1 268.401 2.894 20 30 CFEDMN C=CCCCN1CCN(C(=O)OC(C)(C)C)[C@H](C)C1 ZINC000741798003 574304444 /nfs/dbraw/zinc/30/44/44/574304444.db2.gz FVCHYYYPBXPBLS-CYBMUJFWSA-N 0 1 268.401 2.894 20 30 CFEDMN Cc1ccc(NN=Cc2cc(F)c(O)c(F)c2)nc1 ZINC000749855797 574312998 /nfs/dbraw/zinc/31/29/98/574312998.db2.gz UYLKROFJJLRGJP-UHFFFAOYSA-N 0 1 263.247 2.820 20 30 CFEDMN C=CCCC[N@H+](C)Cc1cn2ccccc2c1-c1nn[nH]n1 ZINC000735412968 574322971 /nfs/dbraw/zinc/32/29/71/574322971.db2.gz NOHKRYVLPVYVSA-UHFFFAOYSA-N 0 1 296.378 2.517 20 30 CFEDMN Cc1cc(N(C)C)ccc1CNCc1ccc(C#N)o1 ZINC000742371438 574324939 /nfs/dbraw/zinc/32/49/39/574324939.db2.gz WYUANWVVEYGUGI-UHFFFAOYSA-N 0 1 269.348 2.816 20 30 CFEDMN C=CCCOCC(=O)[C@H](C#N)c1nc2cccc(C)c2[nH]1 ZINC000735791485 574335404 /nfs/dbraw/zinc/33/54/04/574335404.db2.gz ZOKDKHPODMEPDI-LBPRGKRZSA-N 0 1 283.331 2.640 20 30 CFEDMN Cc1cccc2nc([C@H](C#N)C(=O)[C@@H]3C[C@@H]3C)[nH]c21 ZINC000735793129 574336050 /nfs/dbraw/zinc/33/60/50/574336050.db2.gz QRYCKBYCQOBHHT-HBNTYKKESA-N 0 1 253.305 2.704 20 30 CFEDMN Cc1cccc2nc([C@H](C#N)C(=O)C[C@H]3CCCO3)[nH]c21 ZINC000735792942 574336096 /nfs/dbraw/zinc/33/60/96/574336096.db2.gz PBJUFUFXVSSCHM-VXGBXAGGSA-N 0 1 283.331 2.617 20 30 CFEDMN COCCn1cc(CN=Nc2ccc3ccccc3n2)cn1 ZINC000743420382 574363813 /nfs/dbraw/zinc/36/38/13/574363813.db2.gz AKRYDGIGYRDROP-UHFFFAOYSA-N 0 1 295.346 2.524 20 30 CFEDMN COCCn1cc(C=NN=c2ccc3ccccc3[nH]2)cn1 ZINC000743420382 574363816 /nfs/dbraw/zinc/36/38/16/574363816.db2.gz AKRYDGIGYRDROP-UHFFFAOYSA-N 0 1 295.346 2.524 20 30 CFEDMN COc1cc([N+](=O)[O-])ccc1N=NCc1occc1C ZINC000743437935 574364458 /nfs/dbraw/zinc/36/44/58/574364458.db2.gz YUMPCDRLYMMGRM-UHFFFAOYSA-N 0 1 275.264 2.951 20 30 CFEDMN O=[N+]([O-])c1ccc(O)cc1C=NNc1ccccc1 ZINC000751127847 574369663 /nfs/dbraw/zinc/36/96/63/574369663.db2.gz VQXSAZZLIAJSLB-UHFFFAOYSA-N 0 1 257.249 2.746 20 30 CFEDMN O=[N+]([O-])c1ccc(O)cc1C=NNCCCc1ccccc1 ZINC000751133662 574369803 /nfs/dbraw/zinc/36/98/03/574369803.db2.gz QLNVHLZAWOWLAI-UHFFFAOYSA-N 0 1 299.330 2.857 20 30 CFEDMN O=C1c2ccccc2OC/C1=C/c1cc(O)ccc1[N+](=O)[O-] ZINC000751205756 574371920 /nfs/dbraw/zinc/37/19/20/574371920.db2.gz SVXQWFQTEITLNU-XFFZJAGNSA-N 0 1 297.266 2.959 20 30 CFEDMN C=CCC[C@@H](OC(=O)c1ccc([N+](=O)[O-])[nH]1)C1CC1 ZINC000752570282 574392834 /nfs/dbraw/zinc/39/28/34/574392834.db2.gz DGTIYLPEDDUDLR-LLVKDONJSA-N 0 1 264.281 2.825 20 30 CFEDMN C#Cc1ccccc1C(C)N=Nc1ccncc1Cl ZINC000753709172 574408542 /nfs/dbraw/zinc/40/85/42/574408542.db2.gz NDQOWORKYVBFOC-UHFFFAOYSA-N 0 1 269.735 2.974 20 30 CFEDMN C=CC[N@@H+](C/C=C(\C)C(=O)[O-])Cc1ccc(OC)cc1 ZINC000825682280 601156919 /nfs/dbraw/zinc/15/69/19/601156919.db2.gz VWKNPQYJCOVEEI-UKTHLTGXSA-N 0 1 275.348 2.714 20 30 CFEDMN C/C(=C/C[N@@H+]1CCC[C@@H]1[C@H](C#N)c1ccccc1)C(=O)[O-] ZINC000825741369 601429167 /nfs/dbraw/zinc/42/91/67/601429167.db2.gz MHCVLNLOXQHWPX-WTEYMAAXSA-N 0 1 284.359 2.789 20 30 CFEDMN C/C(=C/C[N@H+]1CCC[C@@H]1[C@H](C#N)c1ccccc1)C(=O)[O-] ZINC000825741369 601429169 /nfs/dbraw/zinc/42/91/69/601429169.db2.gz MHCVLNLOXQHWPX-WTEYMAAXSA-N 0 1 284.359 2.789 20 30 CFEDMN C/C(=C/C[N@@H+]1CCC[C@@H]1[C@@H](C#N)c1ccccc1)C(=O)[O-] ZINC000825741367 601429458 /nfs/dbraw/zinc/42/94/58/601429458.db2.gz MHCVLNLOXQHWPX-KTDOTMJKSA-N 0 1 284.359 2.789 20 30 CFEDMN C/C(=C/C[N@H+]1CCC[C@@H]1[C@@H](C#N)c1ccccc1)C(=O)[O-] ZINC000825741367 601429459 /nfs/dbraw/zinc/42/94/59/601429459.db2.gz MHCVLNLOXQHWPX-KTDOTMJKSA-N 0 1 284.359 2.789 20 30 CFEDMN C=CCCC(=O)OC[C@@H]1CCN1Cc1ccccc1 ZINC000851466416 634379183 /nfs/dbraw/zinc/37/91/83/634379183.db2.gz IGUXERJIECPSRZ-HNNXBMFYSA-N 0 1 259.349 2.770 20 30 CFEDMN C[C@@H](c1ccc(C#N)cc1)[N@@H+](C)CC(C)(C)CNC(=O)[O-] ZINC000825622432 603627836 /nfs/dbraw/zinc/62/78/36/603627836.db2.gz CMUGXTNLNMDZKE-LBPRGKRZSA-N 0 1 289.379 2.845 20 30 CFEDMN C[C@@H](c1ccc(C#N)cc1)[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)[O-] ZINC000825624831 603977317 /nfs/dbraw/zinc/97/73/17/603977317.db2.gz ZITYEMCCUKDXNO-MAZHCROVSA-N 0 1 299.374 2.836 20 30 CFEDMN C#CCN(C(=O)[C@H]1C[C@@H](C)Cc2c[nH]nc21)C1CCCCC1 ZINC000900413383 620672193 /nfs/dbraw/zinc/67/21/93/620672193.db2.gz WESULJYUQAUPKJ-BBRMVZONSA-N 0 1 299.418 2.870 20 30 CFEDMN C[N@@H+](CCCC(C)(C)C#N)C1(C(=O)[O-])CCCC1 ZINC000385747573 604466335 /nfs/dbraw/zinc/46/63/35/604466335.db2.gz RCEMLGVWJIWJGL-UHFFFAOYSA-N 0 1 252.358 2.646 20 30 CFEDMN CC(C)(C#N)c1ccccc1C[N@H+]1CCC[C@@H](C(=O)[O-])C1 ZINC000826081057 604669835 /nfs/dbraw/zinc/66/98/35/604669835.db2.gz KSOJAIUYFUFIGQ-CQSZACIVSA-N 0 1 286.375 2.784 20 30 CFEDMN N#CC1CCC(CNC(=O)c2cc(F)cc(F)c2O)CC1 ZINC000935816317 649951607 /nfs/dbraw/zinc/95/16/07/649951607.db2.gz HWVBDACQOWTQHX-UHFFFAOYSA-N 0 1 294.301 2.730 20 30 CFEDMN C[C@]1(C#N)CCC[N@@H+]([C@@H](C(=O)[O-])c2ccccc2F)C1 ZINC000833551228 605419463 /nfs/dbraw/zinc/41/94/63/605419463.db2.gz JWMPSHPMCCNLBW-UKRRQHHQSA-N 0 1 276.311 2.577 20 30 CFEDMN C[C@]1(C#N)CCC[N@H+]([C@@H](C(=O)[O-])c2ccccc2F)C1 ZINC000833551228 605419467 /nfs/dbraw/zinc/41/94/67/605419467.db2.gz JWMPSHPMCCNLBW-UKRRQHHQSA-N 0 1 276.311 2.577 20 30 CFEDMN C=CC[N@H+](CCc1ccco1)Cc1ccc(C(=O)[O-])o1 ZINC000833374422 605476780 /nfs/dbraw/zinc/47/67/80/605476780.db2.gz IQIIEOGFVJWKEB-UHFFFAOYSA-N 0 1 275.304 2.802 20 30 CFEDMN CC(=[NH+]Nc1cccc(C(=O)[O-])c1)c1ccc(N)cc1 ZINC000833386954 605593376 /nfs/dbraw/zinc/59/33/76/605593376.db2.gz DXSBWIVDRLWWIB-UHFFFAOYSA-N 0 1 269.304 2.803 20 30 CFEDMN C#Cc1cccc(N(C)C(=O)[C@H]2CC[N@H+]2C(C)(C)C)c1 ZINC000900562572 620688512 /nfs/dbraw/zinc/68/85/12/620688512.db2.gz NGMHCGSFJFLRGJ-OAHLLOKOSA-N 0 1 270.376 2.504 20 30 CFEDMN C#Cc1cccc(N(C)C(=O)[C@H]2CCN2C(C)(C)C)c1 ZINC000900562572 620688513 /nfs/dbraw/zinc/68/85/13/620688513.db2.gz NGMHCGSFJFLRGJ-OAHLLOKOSA-N 0 1 270.376 2.504 20 30 CFEDMN C=C(Cl)CN[C@H]1CCCc2cc(-c3nn[nH]n3)ccc21 ZINC000823882796 608520664 /nfs/dbraw/zinc/52/06/64/608520664.db2.gz DIDKMLTWMUWFCP-ZDUSSCGKSA-N 0 1 289.770 2.586 20 30 CFEDMN CCCCN(O)C(=O)c1ccc(CN2CCCCC2)o1 ZINC000900683038 620702041 /nfs/dbraw/zinc/70/20/41/620702041.db2.gz SURLYNUZYXDVIJ-UHFFFAOYSA-N 0 1 280.368 2.897 20 30 CFEDMN C#CCN[C@@H]1c2ccccc2C[C@H]1NC(=O)C1CCCCC1 ZINC000960237841 612971117 /nfs/dbraw/zinc/97/11/17/612971117.db2.gz BAQKZDXGFCBYCI-QZTJIDSGSA-N 0 1 296.414 2.572 20 30 CFEDMN C#CCCN1CCCN(C(=O)C(C)(C)C(C)(C)C)CC1 ZINC000981757027 613002039 /nfs/dbraw/zinc/00/20/39/613002039.db2.gz MZJUSWTUNMOVEL-UHFFFAOYSA-N 0 1 278.440 2.616 20 30 CFEDMN C#CCCN1CCCN(C(=O)c2ccccc2CCC)CC1 ZINC000981593625 613005865 /nfs/dbraw/zinc/00/58/65/613005865.db2.gz IXWOQPPMQALKPL-UHFFFAOYSA-N 0 1 298.430 2.810 20 30 CFEDMN C#CCCN1CC[C@H](C)[C@H](NC(=O)C2(F)CCCCC2)C1 ZINC000968506098 613024185 /nfs/dbraw/zinc/02/41/85/613024185.db2.gz RYZUFXCSNKDMOX-LSDHHAIUSA-N 0 1 294.414 2.509 20 30 CFEDMN C#CCN(C)[C@@H]1CCN(C(=O)[C@H]2CC[C@H](C(C)C)CC2)C1 ZINC000972616624 613082910 /nfs/dbraw/zinc/08/29/10/613082910.db2.gz ZYNYZGKKJIGVIQ-BRWVUGGUSA-N 0 1 290.451 2.615 20 30 CFEDMN C#CCN(C)[C@@H]1CCN(C(=O)[C@]2(C)CC[C@H](C)C2(C)C)C1 ZINC000972483647 613084417 /nfs/dbraw/zinc/08/44/17/613084417.db2.gz UYFATPOFIDFMLZ-DAYGRLMNSA-N 0 1 290.451 2.615 20 30 CFEDMN C#CCN(C)[C@H]1CCN(C(=O)C2(C)CCCCCC2)C1 ZINC000971692899 613088774 /nfs/dbraw/zinc/08/87/74/613088774.db2.gz JOLJLKILERHRHQ-HNNXBMFYSA-N 0 1 276.424 2.513 20 30 CFEDMN C#CCN(C)[C@H]1CCN(C(=O)C[C@H](C)c2ccccc2C)C1 ZINC000972476624 613090486 /nfs/dbraw/zinc/09/04/86/613090486.db2.gz CIAVYMIAWPZHAU-IRXDYDNUSA-N 0 1 298.430 2.655 20 30 CFEDMN C#CCN(C)[C@H]1CCN(C(=O)C[C@H]2CCCC(C)(C)C2)C1 ZINC000972733103 613090534 /nfs/dbraw/zinc/09/05/34/613090534.db2.gz PBIBLPGGJYSAQJ-CVEARBPZSA-N 0 1 290.451 2.759 20 30 CFEDMN C#CCN1CCCCC[C@@H]1CNC(=O)c1ccc(C)c(C)c1 ZINC000969138790 613146790 /nfs/dbraw/zinc/14/67/90/613146790.db2.gz BKGCBYDHRGITBL-GOSISDBHSA-N 0 1 298.430 2.911 20 30 CFEDMN C#CCN1CCCCC[C@H]1CNC(=O)c1ccoc1Cl ZINC000968830842 613149767 /nfs/dbraw/zinc/14/97/67/613149767.db2.gz HBTBZOQNWYUOGU-LBPRGKRZSA-N 0 1 294.782 2.541 20 30 CFEDMN C#Cc1ccc(C(=O)N(CC)C2CN(CC3CCC3)C2)cc1 ZINC000951117434 613166270 /nfs/dbraw/zinc/16/62/70/613166270.db2.gz RNZJYVNXAIOVAG-UHFFFAOYSA-N 0 1 296.414 2.614 20 30 CFEDMN C#CCN1CC[C@@H](NC(=O)c2ccoc2C(C)C)C[C@H]1C ZINC000948072709 613239401 /nfs/dbraw/zinc/23/94/01/613239401.db2.gz BIHYNRAXUDOVFP-ZIAGYGMSSA-N 0 1 288.391 2.619 20 30 CFEDMN C=C(C)CCN1CC(N(CC)C(=O)[C@@H]2CCC[C@H]3C[C@H]32)C1 ZINC000950678522 613245208 /nfs/dbraw/zinc/24/52/08/613245208.db2.gz QNQCWZQRWJKWDF-USXIJHARSA-N 0 1 290.451 2.922 20 30 CFEDMN C=C(C)CCN1CC(N(CC)C(=O)[C@H]2CC=CCC2)C1 ZINC000949658039 613245788 /nfs/dbraw/zinc/24/57/88/613245788.db2.gz NAEACEXPTSZKAO-HNNXBMFYSA-N 0 1 276.424 2.842 20 30 CFEDMN C=C(C)CCN1CC(N(CC)C(=O)c2cccn2CC)C1 ZINC000957397150 613247031 /nfs/dbraw/zinc/24/70/31/613247031.db2.gz OMNVWFYZQVDCEW-UHFFFAOYSA-N 0 1 289.423 2.621 20 30 CFEDMN C=C(C)CCN1CCN(C(=O)C2CCC(F)CC2)CC1 ZINC000950058828 613257181 /nfs/dbraw/zinc/25/71/81/613257181.db2.gz KKMUTKWOPJQEFR-UHFFFAOYSA-N 0 1 282.403 2.625 20 30 CFEDMN C#CCN1CC[C@H](NC(=O)C2C(C)(C)C2(C)C)C(C)(C)C1 ZINC000940657869 613258066 /nfs/dbraw/zinc/25/80/66/613258066.db2.gz MVQWGLJUWIPGKA-ZDUSSCGKSA-N 0 1 290.451 2.519 20 30 CFEDMN C#CCN1CC[C@H](NC(=O)CC2=CCCCC2)C(C)(C)C1 ZINC000940632817 613258480 /nfs/dbraw/zinc/25/84/80/613258480.db2.gz MGRQZGZQRFPXTD-INIZCTEOSA-N 0 1 288.435 2.727 20 30 CFEDMN C=C(C)CCN1CCN(C(=O)[C@@H]2CCC(F)(F)C2)CC1 ZINC000948664621 613259059 /nfs/dbraw/zinc/25/90/59/613259059.db2.gz BXSVIOSIOKGRMO-CYBMUJFWSA-N 0 1 286.366 2.532 20 30 CFEDMN C=C(C)CCN1CCN(C(=O)[C@H]2CC23CCCC3)CC1 ZINC000957078673 613259899 /nfs/dbraw/zinc/25/98/99/613259899.db2.gz FNQXPPSCIOMBHC-OAHLLOKOSA-N 0 1 276.424 2.677 20 30 CFEDMN C=C(C)CCN1CCN(C(=O)[C@H]2C[C@@]2(C)CC)CC1 ZINC000956973540 613260197 /nfs/dbraw/zinc/26/01/97/613260197.db2.gz FLJIMTKUHRXQER-GDBMZVCRSA-N 0 1 264.413 2.533 20 30 CFEDMN C=C(C)CCN1CCN(C(=O)[C@H]2C[C@@]2(C)C(C)C)CC1 ZINC000956980298 613260404 /nfs/dbraw/zinc/26/04/04/613260404.db2.gz WJLVDTYZDRRQKL-WBVHZDCISA-N 0 1 278.440 2.779 20 30 CFEDMN C=C(C)CCN1CCN(C(=O)c2ccc(CF)cc2)CC1 ZINC000957832542 613261693 /nfs/dbraw/zinc/26/16/93/613261693.db2.gz KMALUZDOUBOSKB-UHFFFAOYSA-N 0 1 290.382 2.880 20 30 CFEDMN C#CCN1CC[C@H](NC(=O)[C@H]2CC[C@H](C)CC2)C(C)(C)C1 ZINC000941172899 613262780 /nfs/dbraw/zinc/26/27/80/613262780.db2.gz LNGXYINMINCRMZ-JYJNAYRXSA-N 0 1 290.451 2.663 20 30 CFEDMN C#CCN1C[C@H](NC(=O)[C@H](C)c2ccccc2C)C(C)(C)C1 ZINC000977608843 613298491 /nfs/dbraw/zinc/29/84/91/613298491.db2.gz ADKUVNBGYWFJAF-WBVHZDCISA-N 0 1 298.430 2.558 20 30 CFEDMN C=C(C)CN1CC([C@@H](C)NC(=O)c2c(F)cccc2F)C1 ZINC000970796504 613299374 /nfs/dbraw/zinc/29/93/74/613299374.db2.gz SEZZLJMRQDFFKI-LLVKDONJSA-N 0 1 294.345 2.591 20 30 CFEDMN C=C(C)CN1CCCN(C(=O)C2(C(C)(F)F)CC2)CC1 ZINC000981973437 613307713 /nfs/dbraw/zinc/30/77/13/613307713.db2.gz JNVKXZXATDNDMQ-UHFFFAOYSA-N 0 1 286.366 2.532 20 30 CFEDMN C=C(C)CN1CCCN(C(=O)C(CC)CC)CC1 ZINC000980726351 613307806 /nfs/dbraw/zinc/30/78/06/613307806.db2.gz PCFZBNDLKIXBOG-UHFFFAOYSA-N 0 1 252.402 2.533 20 30 CFEDMN C=C(C)CN1CCCN(C(=O)c2ccccc2C)CC1 ZINC000980648179 613312585 /nfs/dbraw/zinc/31/25/85/613312585.db2.gz VRRZHEBVGOCUJO-UHFFFAOYSA-N 0 1 272.392 2.719 20 30 CFEDMN C=C(C)CN1CC[C@H](C)[C@@H](NC(=O)c2ccoc2Cl)C1 ZINC000965931614 613333194 /nfs/dbraw/zinc/33/31/94/613333194.db2.gz MZIMDOGLIXVKCJ-AAEUAGOBSA-N 0 1 296.798 2.949 20 30 CFEDMN C=C(C)CN1CC[C@H](C)[C@H](NC(=O)c2ccsc2)C1 ZINC000964934808 613334199 /nfs/dbraw/zinc/33/41/99/613334199.db2.gz LALMSYCAXJXHJF-GXTWGEPZSA-N 0 1 278.421 2.764 20 30 CFEDMN C=C(C)CN1CC[C@H](C)[C@H](NC(=O)c2oc(C)cc2C)C1 ZINC000965722713 613334435 /nfs/dbraw/zinc/33/44/35/613334435.db2.gz RBCYXDLCZLJDDK-SWLSCSKDSA-N 0 1 290.407 2.913 20 30 CFEDMN C=C(C)CN1C[C@@H](NC(=O)c2occc2CC)C(C)(C)C1 ZINC000975003888 613338700 /nfs/dbraw/zinc/33/87/00/613338700.db2.gz QUGPZRYVJAQRAO-CQSZACIVSA-N 0 1 290.407 2.858 20 30 CFEDMN C=C(C)CN1C[C@H](NC(=O)c2ccc(C)o2)C(C)(C)C1 ZINC000972786031 613342215 /nfs/dbraw/zinc/34/22/15/613342215.db2.gz OQACWEUCCTXCHD-AWEZNQCLSA-N 0 1 276.380 2.604 20 30 CFEDMN C=C(Cl)CN1CC[C@@H]([C@H]2CCCN(C(=O)C3CC3)C2)C1 ZINC000961083896 613377697 /nfs/dbraw/zinc/37/76/97/613377697.db2.gz WAXNNWRPPZHYKK-LSDHHAIUSA-N 0 1 296.842 2.709 20 30 CFEDMN C=C(Cl)CN[C@@H]1CCN(C(=O)CC2CCCCC2)C1 ZINC000966835860 613384472 /nfs/dbraw/zinc/38/44/72/613384472.db2.gz QODMPKKKUOXTQC-CQSZACIVSA-N 0 1 284.831 2.900 20 30 CFEDMN C=C(Cl)CN[C@H]1CN(C(=O)c2occc2CC)C[C@@H]1C ZINC000939074370 613386979 /nfs/dbraw/zinc/38/69/79/613386979.db2.gz YDPIHWXUULDZNC-GWCFXTLKSA-N 0 1 296.798 2.645 20 30 CFEDMN C=C[C@@H](C(=O)N1CCN(C(C)C)CC1)c1ccccc1 ZINC000957743950 613440987 /nfs/dbraw/zinc/44/09/87/613440987.db2.gz FFBHILWYVQDIFO-MRXNPFEDSA-N 0 1 272.392 2.509 20 30 CFEDMN C=C[C@@](C)(CC)C(=O)N1CCN(CC2CC(C)C2)CC1 ZINC000950051342 613473657 /nfs/dbraw/zinc/47/36/57/613473657.db2.gz MHIKQKILLVRZPQ-DQPZFDDXSA-N 0 1 278.440 2.779 20 30 CFEDMN C=C[C@@](C)(CC)C(=O)N1CCN(C[C@@H](C)CC)CC1 ZINC000950051838 613473811 /nfs/dbraw/zinc/47/38/11/613473811.db2.gz WSYOQQYYYZXDBC-HOCLYGCPSA-N 0 1 266.429 2.779 20 30 CFEDMN C=CCCN1CCN(C(=O)C[C@H]2CCCC[C@H]2C)CC1 ZINC000957867257 613504541 /nfs/dbraw/zinc/50/45/41/613504541.db2.gz HJYCMCICKFCXHH-HZPDHXFCSA-N 0 1 278.440 2.923 20 30 CFEDMN C=CCCN1CCN(C(=O)C[C@H]2CCCC[C@@H]2C)CC1 ZINC000957867258 613504724 /nfs/dbraw/zinc/50/47/24/613504724.db2.gz HJYCMCICKFCXHH-JKSUJKDBSA-N 0 1 278.440 2.923 20 30 CFEDMN C=CCCN1CCN(C(=O)[C@@H]2CCCC[C@@H]2C2CC2)CC1 ZINC000949464635 613505762 /nfs/dbraw/zinc/50/57/62/613505762.db2.gz AOEUSUNXPLLZNP-IAGOWNOFSA-N 0 1 290.451 2.923 20 30 CFEDMN C=CCCN1CCN(C(=O)[C@H](C)c2ccc(C)s2)CC1 ZINC000957311839 613507432 /nfs/dbraw/zinc/50/74/32/613507432.db2.gz SCMUJYBGKOWELK-CQSZACIVSA-N 0 1 292.448 2.880 20 30 CFEDMN C=CCCN1CCN(C(=O)c2cc(C)ccc2C)CC1 ZINC000957454094 613509652 /nfs/dbraw/zinc/50/96/52/613509652.db2.gz NIYITIIIOOSSRT-UHFFFAOYSA-N 0 1 272.392 2.637 20 30 CFEDMN CC#CCN1CC([C@@H](C)NC(=O)C2CCCCCCC2)C1 ZINC000970128405 613529859 /nfs/dbraw/zinc/52/98/59/613529859.db2.gz XQAQVTRMHNGJKB-OAHLLOKOSA-N 0 1 290.451 2.807 20 30 CFEDMN CC#CCN1CC([C@@H](C)NC(=O)c2cccc(C3CC3)c2)C1 ZINC000970945031 613532773 /nfs/dbraw/zinc/53/27/73/613532773.db2.gz KXKIUEOVBDZQPV-CQSZACIVSA-N 0 1 296.414 2.637 20 30 CFEDMN CC#CCN1CC[C@@H](C)[C@@H](NC(=O)CC2CCCCC2)C1 ZINC000964770889 613571871 /nfs/dbraw/zinc/57/18/71/613571871.db2.gz JLODNXAJYLUQSJ-WBVHZDCISA-N 0 1 290.451 2.807 20 30 CFEDMN CC#CCN1CC[C@H](C)[C@@H](NC(=O)CC2CCCCC2)C1 ZINC000964770888 613590599 /nfs/dbraw/zinc/59/05/99/613590599.db2.gz JLODNXAJYLUQSJ-RDJZCZTQSA-N 0 1 290.451 2.807 20 30 CFEDMN CC#CCN1CC[C@H](C)[C@H](NC(=O)c2ccc(C)cc2C)C1 ZINC000968601327 613593768 /nfs/dbraw/zinc/59/37/68/613593768.db2.gz BKKPAESCTONSES-MAUKXSAKSA-N 0 1 298.430 2.767 20 30 CFEDMN CC#CCN1C[C@H](NC(=O)[C@@H](C)C2CCCC2)C(C)(C)C1 ZINC000977445700 613621477 /nfs/dbraw/zinc/62/14/77/613621477.db2.gz BFFASHKTZUJKGW-HOCLYGCPSA-N 0 1 290.451 2.663 20 30 CFEDMN CC#CCN1C[C@H](NC(=O)[C@@H]2C[C@H]2CC(C)C)C(C)(C)C1 ZINC000975056970 613622077 /nfs/dbraw/zinc/62/20/77/613622077.db2.gz ODLUBZYLVMLRFX-OAGGEKHMSA-N 0 1 290.451 2.519 20 30 CFEDMN C=CCN1CC([C@@H](C)NC(=O)c2c(C)cccc2Cl)C1 ZINC000970374763 613663320 /nfs/dbraw/zinc/66/33/20/613663320.db2.gz WAPZOJKPNXRVMA-GFCCVEGCSA-N 0 1 292.810 2.885 20 30 CFEDMN C=CCN1CC([C@@H](C)NC(=O)c2ccc(C)cc2Cl)C1 ZINC000970464883 613665326 /nfs/dbraw/zinc/66/53/26/613665326.db2.gz NOSVRWCHYCVTKF-GFCCVEGCSA-N 0 1 292.810 2.885 20 30 CFEDMN C=CCN1CC([C@@H](C)NC(=O)c2cccc(C(F)F)c2)C1 ZINC000970775824 613665921 /nfs/dbraw/zinc/66/59/21/613665921.db2.gz VZEUPWAEJGPKKT-LLVKDONJSA-N 0 1 294.345 2.860 20 30 CFEDMN C=CCN1CC([C@@H](C)NC(=O)c2cscc2Cl)C1 ZINC000969906510 613667669 /nfs/dbraw/zinc/66/76/69/613667669.db2.gz GDIPEAMPCNHHPZ-SECBINFHSA-N 0 1 284.812 2.638 20 30 CFEDMN C=CCN1CC([C@H](C)NC(=O)C2CC(C(C)(C)C)C2)C1 ZINC000970951577 613668192 /nfs/dbraw/zinc/66/81/92/613668192.db2.gz UIOFQTKXMWHRSQ-OPFPJEHXSA-N 0 1 278.440 2.681 20 30 CFEDMN C=CCN1CC([C@H](C)NC(=O)c2cc(C)c(C)s2)C1 ZINC000970853224 613670522 /nfs/dbraw/zinc/67/05/22/613670522.db2.gz CUGBSLLDKQBYSJ-NSHDSACASA-N 0 1 278.421 2.601 20 30 CFEDMN C=CCN1CC([C@H](C)NC(=O)c2cc(C)c(F)cc2F)C1 ZINC000969944547 613670768 /nfs/dbraw/zinc/67/07/68/613670768.db2.gz NCCUFVXYACOMDN-NSHDSACASA-N 0 1 294.345 2.509 20 30 CFEDMN C=CCN1CC([C@H](C)NC(=O)c2ccoc2C(C)C)C1 ZINC000970949190 613672527 /nfs/dbraw/zinc/67/25/27/613672527.db2.gz HEPSHEFFNXBKES-LBPRGKRZSA-N 0 1 276.380 2.639 20 30 CFEDMN C=CCN1CC([C@H](C)NC(=O)c2ncsc2C(C)C)C1 ZINC000970729565 613673731 /nfs/dbraw/zinc/67/37/31/613673731.db2.gz RDEMBRLIANCHNB-NSHDSACASA-N 0 1 293.436 2.503 20 30 CFEDMN C=CCN1CCCN(C(=O)[C@@H]2CCC(C)=C(C)C2)CC1 ZINC000981233493 613691716 /nfs/dbraw/zinc/69/17/16/613691716.db2.gz SIBFMGLGTOUDGD-MRXNPFEDSA-N 0 1 276.424 2.843 20 30 CFEDMN C=CCN1CCCN(C(=O)[C@@]2(C)CCC[C@@H]2C)CC1 ZINC000981898107 613692619 /nfs/dbraw/zinc/69/26/19/613692619.db2.gz HFLCDIBXXKLERJ-HOCLYGCPSA-N 0 1 264.413 2.533 20 30 CFEDMN C=CCN1CCCN(C(=O)c2ccc(C)c(Cl)c2)CC1 ZINC000981872364 613697032 /nfs/dbraw/zinc/69/70/32/613697032.db2.gz JBKXCMKZGCHSCD-UHFFFAOYSA-N 0 1 292.810 2.982 20 30 CFEDMN C=CCN1CCCN(C(=O)c2ccc(C(F)F)cc2)CC1 ZINC000982215247 613697080 /nfs/dbraw/zinc/69/70/80/613697080.db2.gz VXTSVEGXNBQWNT-UHFFFAOYSA-N 0 1 294.345 2.958 20 30 CFEDMN C=CCN1CC[C@@H](C)[C@@H](NC(=O)Cc2ccc(C)s2)C1 ZINC000968678759 613728233 /nfs/dbraw/zinc/72/82/33/613728233.db2.gz URLMLGWXJHGNTL-DOMZBBRYSA-N 0 1 292.448 2.612 20 30 CFEDMN C=CCN1CC[C@@H](C)[C@@H](NC(=O)Cc2ccccc2C)C1 ZINC000968633682 613728399 /nfs/dbraw/zinc/72/83/99/613728399.db2.gz ZZKHAKDDEGMAAY-WBVHZDCISA-N 0 1 286.419 2.550 20 30 CFEDMN C=CCN1CC[C@@H](C)[C@@H](NC(=O)c2cc(C)c(C)o2)C1 ZINC000965909683 613729037 /nfs/dbraw/zinc/72/90/37/613729037.db2.gz HEQVORLBAQXJCQ-RISCZKNCSA-N 0 1 276.380 2.523 20 30 CFEDMN C=CCN1CC[C@@H](C)[C@@H](NC(=O)c2cc3ccccn3c2)C1 ZINC000968381719 613729755 /nfs/dbraw/zinc/72/97/55/613729755.db2.gz GFAFWEPRXKEWRM-PBHICJAKSA-N 0 1 297.402 2.566 20 30 CFEDMN C=CCN1CC[C@@H](C)[C@@H](NC(=O)c2ccc3cc[nH]c3c2)C1 ZINC000968364018 613730093 /nfs/dbraw/zinc/73/00/93/613730093.db2.gz CNEHLLQNVWRDEX-DYVFJYSZSA-N 0 1 297.402 2.794 20 30 CFEDMN C=CCN1CC[C@@H](C)[C@@H](NC(=O)c2cccc(F)c2C)C1 ZINC000966240865 613730411 /nfs/dbraw/zinc/73/04/11/613730411.db2.gz ZNJLNCLFAUXDDS-WBMJQRKESA-N 0 1 290.382 2.760 20 30 CFEDMN C=CCN1CC[C@@H](C)[C@H](NC(=O)c2ccc(C(F)F)o2)C1 ZINC000968599081 613734707 /nfs/dbraw/zinc/73/47/07/613734707.db2.gz QQBXAJFZSFQPGO-GHMZBOCLSA-N 0 1 298.333 2.843 20 30 CFEDMN CC(=O)NC[C@@H]1CCCCCN1Cc1ccc(C#N)s1 ZINC000968716363 613749396 /nfs/dbraw/zinc/74/93/96/613749396.db2.gz ULPQGRPBAAPTKW-ZDUSSCGKSA-N 0 1 291.420 2.500 20 30 CFEDMN C=CCN1CC[C@H](C)[C@@H](NC(=O)Cc2cccc(C)c2)C1 ZINC000968052906 613767293 /nfs/dbraw/zinc/76/72/93/613767293.db2.gz BYKOUWRWIKADDB-RDJZCZTQSA-N 0 1 286.419 2.550 20 30 CFEDMN C=CCN1CC[C@H](C)[C@@H](NC(=O)c2ccc(C=C)cc2)C1 ZINC000968340734 613768734 /nfs/dbraw/zinc/76/87/34/613768734.db2.gz UNIIHQXKYHYXGR-YOEHRIQHSA-N 0 1 284.403 2.956 20 30 CFEDMN C=CCN1CC[C@H](C)[C@@H](NC(=O)c2ccc(C)cc2)C1 ZINC000968583080 613768952 /nfs/dbraw/zinc/76/89/52/613768952.db2.gz JKEGQRFYKAEWBA-HOCLYGCPSA-N 0 1 272.392 2.621 20 30 CFEDMN C=CCN1CC[C@H](C)[C@H](NC(=O)c2c(C)coc2C)C1 ZINC000965984782 613772237 /nfs/dbraw/zinc/77/22/37/613772237.db2.gz JCWVQVSWOXGDLS-SMDDNHRTSA-N 0 1 276.380 2.523 20 30 CFEDMN C=CCN1CC[C@H](C)[C@H](NC(=O)c2ccc(F)cc2F)C1 ZINC000968607543 613774199 /nfs/dbraw/zinc/77/41/99/613774199.db2.gz VZUIAOZZEUVORB-XHDPSFHLSA-N 0 1 294.345 2.591 20 30 CFEDMN C=CCN1C[C@@H](NC(=O)[C@H](C)C2CCCC2)C(C)(C)C1 ZINC000977454413 613808205 /nfs/dbraw/zinc/80/82/05/613808205.db2.gz XOWQRJDBJUWMMA-UKRRQHHQSA-N 0 1 278.440 2.825 20 30 CFEDMN C=CCN1C[C@@H](NC(=O)c2cc(C)ccc2F)C(C)(C)C1 ZINC000975096328 613809151 /nfs/dbraw/zinc/80/91/51/613809151.db2.gz VARCHWRSOHXQRD-OAHLLOKOSA-N 0 1 290.382 2.760 20 30 CFEDMN C=CCN1C[C@@H](NC(=O)c2cc3ccccc3[nH]2)C(C)(C)C1 ZINC000977565669 613809837 /nfs/dbraw/zinc/80/98/37/613809837.db2.gz JUXLTSZMGCFWMM-MRXNPFEDSA-N 0 1 297.402 2.794 20 30 CFEDMN C=CCN1C[C@@H](NC(=O)c2ccc3cc[nH]c3c2)C(C)(C)C1 ZINC000975081470 613810796 /nfs/dbraw/zinc/81/07/96/613810796.db2.gz HUZUWHFEBCOYDH-MRXNPFEDSA-N 0 1 297.402 2.794 20 30 CFEDMN C=CCN1C[C@H](NC(=O)[C@H](F)c2ccccc2)C(C)(C)C1 ZINC000975081234 613827661 /nfs/dbraw/zinc/82/76/61/613827661.db2.gz FXLJVFXGTWVYSP-LSDHHAIUSA-N 0 1 290.382 2.710 20 30 CFEDMN C=CCN1C[C@H](NC(=O)c2c(C)coc2C)C(C)(C)C1 ZINC000974549499 613828196 /nfs/dbraw/zinc/82/81/96/613828196.db2.gz XENGAFFBAFZQGJ-ZDUSSCGKSA-N 0 1 276.380 2.523 20 30 CFEDMN C=CCN1C[C@H](NC(=O)c2cc(C)ccc2F)C(C)(C)C1 ZINC000975096327 613828200 /nfs/dbraw/zinc/82/82/00/613828200.db2.gz VARCHWRSOHXQRD-HNNXBMFYSA-N 0 1 290.382 2.760 20 30 CFEDMN C=CCN1C[C@H](NC(=O)c2ccnc(C3CC3)c2)C(C)(C)C1 ZINC000974779906 613829096 /nfs/dbraw/zinc/82/90/96/613829096.db2.gz RGCMOKSCXMLQQI-INIZCTEOSA-N 0 1 299.418 2.585 20 30 CFEDMN CC(C)C(=O)N[C@@H]1CN(Cc2ccc(C#N)cc2)CC[C@@H]1C ZINC000965247564 613936720 /nfs/dbraw/zinc/93/67/20/613936720.db2.gz PFPZADPOKSRDGD-WMLDXEAASA-N 0 1 299.418 2.541 20 30 CFEDMN CC(C)=CC(=O)N1CCCN(Cc2cccc(C#N)c2)CC1 ZINC000980649310 614245482 /nfs/dbraw/zinc/24/54/82/614245482.db2.gz QAGNQAOXMRJXJL-UHFFFAOYSA-N 0 1 297.402 2.559 20 30 CFEDMN CCC(=O)N[C@H]1CCN(CC#Cc2ccccc2)CC1(C)C ZINC000940498496 614433160 /nfs/dbraw/zinc/43/31/60/614433160.db2.gz WXHXZHJJDMZIPM-KRWDZBQOSA-N 0 1 298.430 2.665 20 30 CFEDMN C=CC[C@H]1CCN1[C@H]1CCc2ccccc2NC1=O ZINC000934463009 618041952 /nfs/dbraw/zinc/04/19/52/618041952.db2.gz VPNMQOYFVZOEJU-ZFWWWQNUSA-N 0 1 256.349 2.590 20 30 CFEDMN Cc1cc(C#N)nc(NC[C@H](c2ccco2)N(C)C)c1 ZINC000891485338 617632693 /nfs/dbraw/zinc/63/26/93/617632693.db2.gz PVAQUHTVUKBWRL-CYBMUJFWSA-N 0 1 270.336 2.570 20 30 CFEDMN C=CC[C@H]1CCN1C(=O)c1cccc2[nH]c(C)nc21 ZINC000890552969 617646392 /nfs/dbraw/zinc/64/63/92/617646392.db2.gz PYPHIJQZQHZRAP-NSHDSACASA-N 0 1 255.321 2.662 20 30 CFEDMN C=CC[C@@H]1CCN1C(=O)[C@@H](c1ccccc1)N(C)CC ZINC000890560255 617651543 /nfs/dbraw/zinc/65/15/43/617651543.db2.gz ILVAJYKLNOVQLL-HZPDHXFCSA-N 0 1 272.392 2.856 20 30 CFEDMN CCCCCCCCCNC(=O)NCc1n[nH]c(C)n1 ZINC000891621389 617689508 /nfs/dbraw/zinc/68/95/08/617689508.db2.gz PSEFXQVNJPGUCG-UHFFFAOYSA-N 0 1 281.404 2.663 20 30 CFEDMN C[C@H](CCC#N)N1CC[C@@H](c2nccc(C(F)(F)F)n2)C1 ZINC000933714237 617758975 /nfs/dbraw/zinc/75/89/75/617758975.db2.gz UPYXFWSQYUIPMV-GHMZBOCLSA-N 0 1 298.312 2.977 20 30 CFEDMN C[N@@H+](CCCOC(F)(F)F)Cc1cc(C#N)cs1 ZINC000933769707 617772802 /nfs/dbraw/zinc/77/28/02/617772802.db2.gz DBDSYQQXQALEOE-UHFFFAOYSA-N 0 1 278.299 2.978 20 30 CFEDMN C#CCN(CC(=O)N(CCC)CC(F)(F)F)C(C)(C)C ZINC000932462356 617773084 /nfs/dbraw/zinc/77/30/84/617773084.db2.gz WGZGIYVOHZJOFI-UHFFFAOYSA-N 0 1 292.345 2.521 20 30 CFEDMN COC/C(C)=C/CN(C)Cc1cc(C#N)cs1 ZINC000933769937 617773798 /nfs/dbraw/zinc/77/37/98/617773798.db2.gz HWGZVTYSYNJALB-NYYWCZLTSA-N 0 1 250.367 2.644 20 30 CFEDMN C[C@H]1CCCN(CCNc2cc(C#N)sc2[N+](=O)[O-])C1 ZINC000891838934 617780244 /nfs/dbraw/zinc/78/02/44/617780244.db2.gz YAXZLLCTBGOACV-JTQLQIEISA-N 0 1 294.380 2.672 20 30 CFEDMN C=CC1(CC(=O)N[C@@H](C)c2nnc[nH]2)CCCCC1 ZINC000933855548 617794804 /nfs/dbraw/zinc/79/48/04/617794804.db2.gz LUIIVODQCUQXSF-NSHDSACASA-N 0 1 262.357 2.509 20 30 CFEDMN C(=NNCCN1CCCCC1)c1ccc(C2CC2)cc1 ZINC000841619561 617803737 /nfs/dbraw/zinc/80/37/37/617803737.db2.gz PEHQZANLLGAPSL-UHFFFAOYSA-N 0 1 271.408 2.973 20 30 CFEDMN CC[C@H](CC#N)NC[C@@H]1CCCN1C(=O)OC(C)(C)C ZINC000234039492 617818968 /nfs/dbraw/zinc/81/89/68/617818968.db2.gz ZPMSDSYHPZMUES-OLZOCXBDSA-N 0 1 281.400 2.668 20 30 CFEDMN [O-]c1cc(Cl)c(C=NNc2cc[nH+]cc2)cc1Cl ZINC000779808242 617823929 /nfs/dbraw/zinc/82/39/29/617823929.db2.gz DWPHBMAEXHEGET-UHFFFAOYSA-N 0 1 282.130 2.962 20 30 CFEDMN Cc1ccc2ncc(/C=C\C(=O)c3ccc(O)cc3O)n2c1 ZINC000255057990 617833902 /nfs/dbraw/zinc/83/39/02/617833902.db2.gz NVXWBIGZCMCVRA-UTCJRWHESA-N 0 1 294.310 2.950 20 30 CFEDMN C[C@@H](CC#N)N(C)C[C@H]1C[C@@H](NC(=O)OC(C)(C)C)C1 ZINC000891933731 617834902 /nfs/dbraw/zinc/83/49/02/617834902.db2.gz MOQWLJCRWPUKFL-RWMBFGLXSA-N 0 1 281.400 2.524 20 30 CFEDMN c1nn(CC2CCC2)cc1CN=Nc1ccccn1 ZINC000901139773 620756421 /nfs/dbraw/zinc/75/64/21/620756421.db2.gz VFKONELOHZJUSC-UHFFFAOYSA-N 0 1 255.325 2.524 20 30 CFEDMN C=C(C)C(C)(C)C(=O)NOCCOc1ccccc1 ZINC000889443876 617871710 /nfs/dbraw/zinc/87/17/10/617871710.db2.gz VTVICWCGHDNGGN-UHFFFAOYSA-N 0 1 263.337 2.716 20 30 CFEDMN COC(=O)C[C@H](NCc1cccc(F)c1C#N)C(C)(C)C ZINC000934033613 617872106 /nfs/dbraw/zinc/87/21/06/617872106.db2.gz MYZVTCSHYMFYJI-AWEZNQCLSA-N 0 1 292.354 2.765 20 30 CFEDMN C=CCCCN(CC)C(=O)c1n[nH]cc1C(F)(F)F ZINC000890809506 617908105 /nfs/dbraw/zinc/90/81/05/617908105.db2.gz WMPCWOJEOKILOD-UHFFFAOYSA-N 0 1 275.274 2.857 20 30 CFEDMN C=CCCCN(CC)C(=O)c1cccc2[nH]cnc21 ZINC000890811914 617909711 /nfs/dbraw/zinc/90/97/11/617909711.db2.gz OZZVVGDWKUTADG-UHFFFAOYSA-N 0 1 257.337 2.991 20 30 CFEDMN C=CCCCN(CC)C(=O)c1cn[nH]c1-c1ccccn1 ZINC000890812944 617910108 /nfs/dbraw/zinc/91/01/08/617910108.db2.gz SWHMRSVMCKZXPR-UHFFFAOYSA-N 0 1 284.363 2.900 20 30 CFEDMN Cc1nc(Br)c(C=NN[C@H]2CCCC2(C)C)[nH]1 ZINC000901231964 620767958 /nfs/dbraw/zinc/76/79/58/620767958.db2.gz RYSJELXSZQOXTN-JTQLQIEISA-N 0 1 299.216 2.983 20 30 CFEDMN N#Cc1c(F)cccc1CN[C@@H]1CCOC12CCCC2 ZINC000934392655 618029209 /nfs/dbraw/zinc/02/92/09/618029209.db2.gz VEMSAWDYVJMVFA-OAHLLOKOSA-N 0 1 274.339 2.889 20 30 CFEDMN Cc1nc(Br)c(C=NN[C@H](C)C(C)(C)C)[nH]1 ZINC000901246987 620771414 /nfs/dbraw/zinc/77/14/14/620771414.db2.gz WGQYHXFOHGTFLC-SSDOTTSWSA-N 0 1 287.205 2.839 20 30 CFEDMN C=CC[C@H]1CCN1[C@@H]1CCN(C2CCCCC2)C1=O ZINC000934459409 618039630 /nfs/dbraw/zinc/03/96/30/618039630.db2.gz JYLWKAVHIINLCQ-DZGCQCFKSA-N 0 1 262.397 2.570 20 30 CFEDMN C=CC[C@@H]1CCN1[C@H]1CCN(c2ccc(F)cc2)C1=O ZINC000934459823 618040121 /nfs/dbraw/zinc/04/01/21/618040121.db2.gz MCFLUBOHBDLQFW-HIFRSBDPSA-N 0 1 274.339 2.581 20 30 CFEDMN C=CC[C@@H]1CCN1Cc1ccc([N+](=O)[O-])cc1OC ZINC000934462444 618040929 /nfs/dbraw/zinc/04/09/29/618040929.db2.gz DIVUTGNZJDLNPP-GFCCVEGCSA-N 0 1 262.309 2.754 20 30 CFEDMN C=CC[C@H]1CCN1C[C@H](O)c1ccc(F)cc1F ZINC000934471596 618046991 /nfs/dbraw/zinc/04/69/91/618046991.db2.gz VLRIJWQDIBOZKP-FZMZJTMJSA-N 0 1 253.292 2.649 20 30 CFEDMN COc1ccc(NN=C(C)c2cnn(CC3CCC3)c2)nc1 ZINC000901227904 620774369 /nfs/dbraw/zinc/77/43/69/620774369.db2.gz RYWAVAQZENSWCG-UHFFFAOYSA-N 0 1 299.378 2.923 20 30 CFEDMN O=C(/C=C\c1cc(F)c(O)c(F)c1)c1cccnc1 ZINC000255518380 618082252 /nfs/dbraw/zinc/08/22/52/618082252.db2.gz GDPUFHBUDFNGRY-ARJAWSKDSA-N 0 1 261.227 2.962 20 30 CFEDMN C=C[C@@H](C)ONC(=O)[C@H](CC)c1ccc(F)cc1 ZINC000846547300 618112387 /nfs/dbraw/zinc/11/23/87/618112387.db2.gz DERLWEVOIDWTOC-ZWNOBZJWSA-N 0 1 251.301 2.942 20 30 CFEDMN COC(=O)c1ccc(/C=C\C(=O)c2ccc(C)cc2O)o1 ZINC000255567869 618128648 /nfs/dbraw/zinc/12/86/48/618128648.db2.gz XDUCFBTXVCTIAE-DAXSKMNVSA-N 0 1 286.283 2.976 20 30 CFEDMN C=C1CCC(C(=O)N2CCN(CC)C[C@@H]2CC)CC1 ZINC000891330605 618131975 /nfs/dbraw/zinc/13/19/75/618131975.db2.gz LPWQAQXDJOBNRX-HNNXBMFYSA-N 0 1 264.413 2.676 20 30 CFEDMN C=CCN1CCC[C@@H](NC(=O)C=C2CCCCC2)C1 ZINC001006835783 618135513 /nfs/dbraw/zinc/13/55/13/618135513.db2.gz URKQEZCCUKBUIU-OAHLLOKOSA-N 0 1 262.397 2.644 20 30 CFEDMN C[C@H](N[C@@H](CCCC#N)c1ccccc1)c1cnnn1C ZINC000926478999 618151680 /nfs/dbraw/zinc/15/16/80/618151680.db2.gz GQHUXCNCNMEABR-ZFWWWQNUSA-N 0 1 283.379 2.901 20 30 CFEDMN C#Cc1ccc(NC(=O)NC[C@@H]2CCN2CC)c(Cl)c1 ZINC000933350037 618205759 /nfs/dbraw/zinc/20/57/59/618205759.db2.gz PHQMNEWEZNGFBG-LBPRGKRZSA-N 0 1 291.782 2.537 20 30 CFEDMN N#Cc1ccc(O)c(NC(=O)CCc2ccccc2O)c1 ZINC000176820029 618205840 /nfs/dbraw/zinc/20/58/40/618205840.db2.gz DFRLOWQNSASHOL-UHFFFAOYSA-N 0 1 282.299 2.541 20 30 CFEDMN Cc1cccc(O[C@@H](C)C(=O)Nc2cc(C#N)ccc2O)c1 ZINC000176826931 618207452 /nfs/dbraw/zinc/20/74/52/618207452.db2.gz XXXOBVZMHSATIN-LBPRGKRZSA-N 0 1 296.326 2.978 20 30 CFEDMN Cc1cccc(C(=O)Nc2cc(C#N)ccc2O)c1 ZINC000176826195 618207624 /nfs/dbraw/zinc/20/76/24/618207624.db2.gz PSHMSRZREBJKFC-UHFFFAOYSA-N 0 1 252.273 2.825 20 30 CFEDMN N#Cc1ccc(O)c(NC(=O)c2cc(Cl)ccn2)c1 ZINC000176830532 618207943 /nfs/dbraw/zinc/20/79/43/618207943.db2.gz SHWBCFJLDVPCTC-UHFFFAOYSA-N 0 1 273.679 2.565 20 30 CFEDMN C=C(C)CN(CC)Cc1ccc(OCCOC)o1 ZINC000891456191 618221887 /nfs/dbraw/zinc/22/18/87/618221887.db2.gz FCXFECRRHIVHKH-UHFFFAOYSA-N 0 1 253.342 2.703 20 30 CFEDMN CCOCc1nc(Cl)cc(NN=Cc2ccns2)n1 ZINC000901314756 620790405 /nfs/dbraw/zinc/79/04/05/620790405.db2.gz XWZDAIUKDWJDCR-UHFFFAOYSA-N 0 1 297.771 2.569 20 30 CFEDMN CC1(C)CCC[C@@H](C(=O)C(C#N)C(=O)N2CCCC2)C1 ZINC000179379756 618268651 /nfs/dbraw/zinc/26/86/51/618268651.db2.gz DFTQCJFPOISGMV-OLZOCXBDSA-N 0 1 276.380 2.534 20 30 CFEDMN C=CCN1CCCC[C@@H]1CNC(=O)c1ccc(F)cc1 ZINC001024302970 618288289 /nfs/dbraw/zinc/28/82/89/618288289.db2.gz FIOSGRRIDKEBFT-OAHLLOKOSA-N 0 1 276.355 2.596 20 30 CFEDMN CC#CCN1CCCC[C@@H]1CNC(=O)c1cccc(C)c1 ZINC001024312599 618292026 /nfs/dbraw/zinc/29/20/26/618292026.db2.gz LNGPESGNTVELHT-QGZVFWFLSA-N 0 1 284.403 2.603 20 30 CFEDMN C#CC[C@@H]1CCCN(Cc2c(Cl)n[nH]c2CC)C1 ZINC000895101805 618293851 /nfs/dbraw/zinc/29/38/51/618293851.db2.gz OVAWNRSOANMCOI-LLVKDONJSA-N 0 1 265.788 2.861 20 30 CFEDMN C#CCN1CCCC[C@@H]1CNC(=O)C1CCCCCC1 ZINC001024358152 618300788 /nfs/dbraw/zinc/30/07/88/618300788.db2.gz AXNCSJSMMCWFOG-MRXNPFEDSA-N 0 1 276.424 2.561 20 30 CFEDMN N#CC(C(=O)[C@H]1CCC(F)(F)C1)c1ccccn1 ZINC000310392052 618304726 /nfs/dbraw/zinc/30/47/26/618304726.db2.gz DWJUGSLZAWPWMY-VHSXEESVSA-N 0 1 250.248 2.693 20 30 CFEDMN C#CCC[N@@H+]1CCCC[C@@H]1CNC(=O)c1ccoc1Cl ZINC001024415059 618308758 /nfs/dbraw/zinc/30/87/58/618308758.db2.gz OEJMPFVMAIPFEY-GFCCVEGCSA-N 0 1 294.782 2.541 20 30 CFEDMN C=CCN1CCCC[C@H]1CNC(=O)c1cc(C)cs1 ZINC001024429965 618314103 /nfs/dbraw/zinc/31/41/03/618314103.db2.gz ONVGLIOVWMVWCK-ZDUSSCGKSA-N 0 1 278.421 2.827 20 30 CFEDMN C#CCN1CCCC[C@@H]1CNC(=O)[C@@H]1CCCC2(CC2)C1 ZINC001024437728 618316662 /nfs/dbraw/zinc/31/66/62/618316662.db2.gz ACIVVCDXTFUSDJ-HZPDHXFCSA-N 0 1 288.435 2.561 20 30 CFEDMN N#C[C@H](C(=O)c1cnc(CC2CC2)s1)c1ccccn1 ZINC000892481914 618360333 /nfs/dbraw/zinc/36/03/33/618360333.db2.gz TULWWCGSWBDZRZ-NSHDSACASA-N 0 1 283.356 2.981 20 30 CFEDMN N#CC(C(=O)c1cnc(CC2CC2)s1)c1ccccn1 ZINC000892481914 618360338 /nfs/dbraw/zinc/36/03/38/618360338.db2.gz TULWWCGSWBDZRZ-NSHDSACASA-N 0 1 283.356 2.981 20 30 CFEDMN C=CCN1CCC[C@H](NC(=O)C2CCCCCC2)C1 ZINC001006903253 618360428 /nfs/dbraw/zinc/36/04/28/618360428.db2.gz FAWRFBRGKHCXCL-HNNXBMFYSA-N 0 1 264.413 2.723 20 30 CFEDMN Cc1cc(F)ncc1C[N@@H+](C)C[C@@H](O)c1cccc(C#N)c1 ZINC000895141917 618375416 /nfs/dbraw/zinc/37/54/16/618375416.db2.gz MRMMONDQPVQVSP-MRXNPFEDSA-N 0 1 299.349 2.566 20 30 CFEDMN Cc1cc(F)ncc1CN(C)C[C@@H](O)c1cccc(C#N)c1 ZINC000895141917 618375421 /nfs/dbraw/zinc/37/54/21/618375421.db2.gz MRMMONDQPVQVSP-MRXNPFEDSA-N 0 1 299.349 2.566 20 30 CFEDMN CCn1cc(/C=C\C(=O)c2ccc(C)cc2O)cn1 ZINC000255864719 618379238 /nfs/dbraw/zinc/37/92/38/618379238.db2.gz HXJMZKYRLHBFPD-ALCCZGGFSA-N 0 1 256.305 2.813 20 30 CFEDMN C=CCN1CCCC[C@H]1CNC(=O)[C@@H]1C[C@@H]2CCCC[C@H]12 ZINC001024566883 618381261 /nfs/dbraw/zinc/38/12/61/618381261.db2.gz ZDISVULJAAFHNL-LUKYLMHMSA-N 0 1 290.451 2.969 20 30 CFEDMN CCCCCCCN1CCN(Cc2noc(CC)n2)CC1 ZINC000177305828 618395661 /nfs/dbraw/zinc/39/56/61/618395661.db2.gz BGFMKTDLRKSQPB-UHFFFAOYSA-N 0 1 294.443 2.720 20 30 CFEDMN C#CCCCCC(=O)N(C)[C@H](c1nnc[nH]1)c1ccccc1 ZINC000909479112 618404071 /nfs/dbraw/zinc/40/40/71/618404071.db2.gz LVQCATISTWUCGN-INIZCTEOSA-N 0 1 296.374 2.546 20 30 CFEDMN C=CCN1CCCC[C@@H]1CNC(=O)[C@H]1CCCC1(C)C ZINC001024607075 618413680 /nfs/dbraw/zinc/41/36/80/618413680.db2.gz AKSUQPBCLXFPHT-HUUCEWRRSA-N 0 1 278.440 2.969 20 30 CFEDMN C=CC[N@@H+]1CCCC[C@@H]1CNC(=O)c1cc[nH]c1CCC ZINC001024615241 618421497 /nfs/dbraw/zinc/42/14/97/618421497.db2.gz PSKHOBNGVZOJID-CQSZACIVSA-N 0 1 289.423 2.738 20 30 CFEDMN C=CCN1CCCC[C@@H]1CNC(=O)c1cc[nH]c1CCC ZINC001024615241 618421505 /nfs/dbraw/zinc/42/15/05/618421505.db2.gz PSKHOBNGVZOJID-CQSZACIVSA-N 0 1 289.423 2.738 20 30 CFEDMN CSCCON=C(C)c1ccccc1N(C)C ZINC000794574254 618432553 /nfs/dbraw/zinc/43/25/53/618432553.db2.gz ZWQWYDBVWZUPCK-UHFFFAOYSA-N 0 1 252.383 2.856 20 30 CFEDMN C=Cc1ccc(C(=O)NC[C@@H]2CCCCN2CC#CC)cc1 ZINC001024669302 618438067 /nfs/dbraw/zinc/43/80/67/618438067.db2.gz GGHBSTKEVLGZOE-SFHVURJKSA-N 0 1 296.414 2.937 20 30 CFEDMN C=CC[N@H+]1CCCC[C@H]1CNC(=O)[C@H]1CC12CCCC2 ZINC001024744773 618459988 /nfs/dbraw/zinc/45/99/88/618459988.db2.gz FLVHWUCJLXCKRB-LSDHHAIUSA-N 0 1 276.424 2.723 20 30 CFEDMN C=CCN1CCCC[C@H]1CNC(=O)[C@H]1CC12CCCC2 ZINC001024744773 618459993 /nfs/dbraw/zinc/45/99/93/618459993.db2.gz FLVHWUCJLXCKRB-LSDHHAIUSA-N 0 1 276.424 2.723 20 30 CFEDMN C=CC[N@@H+]1CCCC[C@@H]1CNC(=O)c1cnoc1C(C)C ZINC001024742994 618460981 /nfs/dbraw/zinc/46/09/81/618460981.db2.gz XROIHMOJRXNAQG-CYBMUJFWSA-N 0 1 291.395 2.568 20 30 CFEDMN C=CCN1CCCC[C@@H]1CNC(=O)c1cnoc1C(C)C ZINC001024742994 618460982 /nfs/dbraw/zinc/46/09/82/618460982.db2.gz XROIHMOJRXNAQG-CYBMUJFWSA-N 0 1 291.395 2.568 20 30 CFEDMN CC#CCN1CCCC[C@H]1CNC(=O)c1ccc(CC)cc1 ZINC001024786726 618469549 /nfs/dbraw/zinc/46/95/49/618469549.db2.gz PAFXMPQKQSFXGE-SFHVURJKSA-N 0 1 298.430 2.857 20 30 CFEDMN C#CC[N@@H+]1CCCC[C@H]1CNC(=O)c1ccc(C)c(C)c1 ZINC001024789143 618471826 /nfs/dbraw/zinc/47/18/26/618471826.db2.gz TXVPPWHOPMSZLI-KRWDZBQOSA-N 0 1 284.403 2.521 20 30 CFEDMN C#CCN1CCCC[C@H]1CNC(=O)c1ccc(C)c(C)c1 ZINC001024789143 618471830 /nfs/dbraw/zinc/47/18/30/618471830.db2.gz TXVPPWHOPMSZLI-KRWDZBQOSA-N 0 1 284.403 2.521 20 30 CFEDMN CC#CCN1CCCC[C@@H]1CNC(=O)c1ccc(C)c(C)c1 ZINC001024788853 618471931 /nfs/dbraw/zinc/47/19/31/618471931.db2.gz OLLSIPWFOJLRQV-GOSISDBHSA-N 0 1 298.430 2.911 20 30 CFEDMN CCN1c2ccccc2C(=N[N-]c2ccc(C)c[nH+]2)C1=O ZINC000727260576 618477095 /nfs/dbraw/zinc/47/70/95/618477095.db2.gz ZKTYQEJLEJUPJP-UHFFFAOYSA-N 0 1 280.331 2.573 20 30 CFEDMN C=CCOc1ccc(CNC[C@@H]2CC(C)=NO2)cc1OC ZINC000895311051 618526882 /nfs/dbraw/zinc/52/68/82/618526882.db2.gz NQSSANYVMXOQKM-AWEZNQCLSA-N 0 1 290.363 2.514 20 30 CFEDMN C#CC1(O)CCN(Cc2ccccc2OC2CCCC2)CC1 ZINC000895383429 618560526 /nfs/dbraw/zinc/56/05/26/618560526.db2.gz VJEZTOKECRVNTO-UHFFFAOYSA-N 0 1 299.414 2.968 20 30 CFEDMN Cc1nc(C=C2SC(=NC3CCCC3)NC2=O)[nH]c1C ZINC000901431293 620818612 /nfs/dbraw/zinc/81/86/12/620818612.db2.gz RTMJUAUJDWRROY-XFFZJAGNSA-N 0 1 290.392 2.529 20 30 CFEDMN N#CC(C(=O)CC[C@@H]1CC1(Cl)Cl)c1ccncn1 ZINC000850948821 618669395 /nfs/dbraw/zinc/66/93/95/618669395.db2.gz WUEBBSRCIAHCAO-BDAKNGLRSA-N 0 1 284.146 2.627 20 30 CFEDMN N#Cc1c(Cl)nsc1N1CCc2cnccc21 ZINC000181207791 618685313 /nfs/dbraw/zinc/68/53/13/618685313.db2.gz LJBLQISAQMGMHW-UHFFFAOYSA-N 0 1 262.725 2.757 20 30 CFEDMN CCc1nn(C)cc1/C=C/C(=O)c1ccccc1O ZINC000092208781 618714037 /nfs/dbraw/zinc/71/40/37/618714037.db2.gz ZUNGHWGMBSLHPD-CMDGGOBGSA-N 0 1 256.305 2.584 20 30 CFEDMN COC1CCN(CCNc2ccc(C#N)cc2Cl)CC1 ZINC000892852785 618757864 /nfs/dbraw/zinc/75/78/64/618757864.db2.gz HDBKEMDTBACLLV-UHFFFAOYSA-N 0 1 293.798 2.734 20 30 CFEDMN Cc1cc(C#N)nc(N[C@@H]2CN(C)Cc3ccccc32)c1 ZINC000892995478 618795318 /nfs/dbraw/zinc/79/53/18/618795318.db2.gz QSKOBVGGDZPNEK-MRXNPFEDSA-N 0 1 278.359 2.860 20 30 CFEDMN Cc1nc(C(C)N=Nc2ccnc(Cl)c2)cn1C ZINC000853395498 618834075 /nfs/dbraw/zinc/83/40/75/618834075.db2.gz ZXWZSKDORYYBSR-UHFFFAOYSA-N 0 1 263.732 2.613 20 30 CFEDMN CCn1cc(CNC2(c3cccc(C#N)c3)CC2)c(C)n1 ZINC000893190761 618874326 /nfs/dbraw/zinc/87/43/26/618874326.db2.gz IDGKAGISUFBLLZ-UHFFFAOYSA-N 0 1 280.375 2.862 20 30 CFEDMN N#CCCN(Cc1ccc(N2CCOCC2)cc1)CC1CC1 ZINC000093091379 618978057 /nfs/dbraw/zinc/97/80/57/618978057.db2.gz OJOUCYZJMHMZHG-UHFFFAOYSA-N 0 1 299.418 2.649 20 30 CFEDMN C=C(C)CN1CCC[C@H](NC(=O)c2cc(C)oc2C)C1 ZINC001006704474 618995830 /nfs/dbraw/zinc/99/58/30/618995830.db2.gz QJGYPPGNKSZSMD-AWEZNQCLSA-N 0 1 276.380 2.667 20 30 CFEDMN C[C@@H](C#N)CNC1CC(c2ccc(F)cc2F)C1 ZINC000893545628 619062898 /nfs/dbraw/zinc/06/28/98/619062898.db2.gz USZQVVCVLUKYGB-BMQDGWLCSA-N 0 1 250.292 2.960 20 30 CFEDMN CC(C)CN(CCC#N)CCC(=O)Nc1cccc(C#N)c1 ZINC000314550450 619082466 /nfs/dbraw/zinc/08/24/66/619082466.db2.gz CAGCQTWWEFJYQX-UHFFFAOYSA-N 0 1 298.390 2.759 20 30 CFEDMN CC[C@@H]1CN(CC)CCN1C(=O)Nc1sccc1C#N ZINC000931835906 619125768 /nfs/dbraw/zinc/12/57/68/619125768.db2.gz OIFQZGKBNXCKBL-GFCCVEGCSA-N 0 1 292.408 2.568 20 30 CFEDMN N#CCSCCCN1CCS[C@H](C(F)(F)F)C1 ZINC000932078712 619186806 /nfs/dbraw/zinc/18/68/06/619186806.db2.gz LYLOWJJYGUDAMS-VIFPVBQESA-N 0 1 284.372 2.613 20 30 CFEDMN C=CCC[N@@H+](C)Cc1ncc(Br)cc1[O-] ZINC000893929242 619245748 /nfs/dbraw/zinc/24/57/48/619245748.db2.gz FPFFUAIGSNDIFU-UHFFFAOYSA-N 0 1 271.158 2.558 20 30 CFEDMN C=CCC[N@H+](C)Cc1ncc(Br)cc1[O-] ZINC000893929242 619245749 /nfs/dbraw/zinc/24/57/49/619245749.db2.gz FPFFUAIGSNDIFU-UHFFFAOYSA-N 0 1 271.158 2.558 20 30 CFEDMN Cc1[nH]nc(CN(C)Cc2cccc(C#N)c2)c1C ZINC000893930910 619246546 /nfs/dbraw/zinc/24/65/46/619246546.db2.gz IUYSCLMMVRLDNB-UHFFFAOYSA-N 0 1 254.337 2.530 20 30 CFEDMN N#Cc1cc(CN2CCC[C@H]2[C@H]2CCCO2)cs1 ZINC000894293176 619312280 /nfs/dbraw/zinc/31/22/80/619312280.db2.gz HFCQFHKSLYHAIF-UONOGXRCSA-N 0 1 262.378 2.763 20 30 CFEDMN CO[C@@H]1CC[C@H](C)N(Cc2ccc(C#N)s2)C1 ZINC000879326234 619336773 /nfs/dbraw/zinc/33/67/73/619336773.db2.gz QLDYMAWIYHAQRM-WDEREUQCSA-N 0 1 250.367 2.619 20 30 CFEDMN N#CCCc1ccc(NC(=O)[C@H]2CCCN2C2CC2)cc1 ZINC000928400503 619364896 /nfs/dbraw/zinc/36/48/96/619364896.db2.gz DHPUISYGBJKMAU-MRXNPFEDSA-N 0 1 283.375 2.708 20 30 CFEDMN CC(C)[C@]1(CO)CCCN(Cc2csc(C#N)c2)C1 ZINC000894644150 619435100 /nfs/dbraw/zinc/43/51/00/619435100.db2.gz AHBXZSSVZYXVSB-OAHLLOKOSA-N 0 1 278.421 2.850 20 30 CFEDMN C#Cc1ccc(CNCc2cnn(C)c2C2CC2)cc1 ZINC000894666692 619438550 /nfs/dbraw/zinc/43/85/50/619438550.db2.gz DDOPPDCQQCLKSO-UHFFFAOYSA-N 0 1 265.360 2.569 20 30 CFEDMN OCC[C@@H](NCC#Cc1ccccc1)c1cccs1 ZINC000792284075 619472762 /nfs/dbraw/zinc/47/27/62/619472762.db2.gz UNIAUEDSYJCRJP-OAHLLOKOSA-N 0 1 271.385 2.813 20 30 CFEDMN C#C[C@@H](N[C@H]1CCCOC1)c1ccc(Br)cc1 ZINC000894870793 619492614 /nfs/dbraw/zinc/49/26/14/619492614.db2.gz PKRPSVZMNSBLQD-UONOGXRCSA-N 0 1 294.192 2.892 20 30 CFEDMN CN1Cc2ccccc2[C@H]1CNc1ccc(C#N)cc1CO ZINC000895022615 619529031 /nfs/dbraw/zinc/52/90/31/619529031.db2.gz XXAZSTKHTUMQLM-GOSISDBHSA-N 0 1 293.370 2.649 20 30 CFEDMN CC[C@H](C)CON=Cc1cc(O)ccc1[N+](=O)[O-] ZINC000793160973 619533509 /nfs/dbraw/zinc/53/35/09/619533509.db2.gz YOVDSJMLTUHZLT-VIFPVBQESA-N 0 1 252.270 2.697 20 30 CFEDMN C#CCCN(CCOC)Cc1cc(O)cc(Cl)c1 ZINC000895471651 619539702 /nfs/dbraw/zinc/53/97/02/619539702.db2.gz WFGZOVNSPXVBKB-UHFFFAOYSA-N 0 1 267.756 2.517 20 30 CFEDMN C=CC[C@H]1CCN(Cc2c(Cl)c(C)nn2C)C1 ZINC000895559237 619555277 /nfs/dbraw/zinc/55/52/77/619555277.db2.gz MYAIMSZAHZKGBG-NSHDSACASA-N 0 1 253.777 2.780 20 30 CFEDMN C[C@H](NC(=O)[C@@H]1CCN1C(C)(C)C)c1ccc(C#N)cc1 ZINC000895637756 619574338 /nfs/dbraw/zinc/57/43/38/619574338.db2.gz NTQQEVQOPWYQEB-WFASDCNBSA-N 0 1 285.391 2.608 20 30 CFEDMN N#Cc1cnc(Cl)c(CNC[C@@H]2CCC3(CCC3)O2)c1 ZINC000895676685 619580235 /nfs/dbraw/zinc/58/02/35/619580235.db2.gz BGDHMEBKRMXCLD-ZDUSSCGKSA-N 0 1 291.782 2.798 20 30 CFEDMN CSc1ccc(CNCc2c(C)ccnc2N)cc1C#N ZINC000895777587 619604982 /nfs/dbraw/zinc/60/49/82/619604982.db2.gz VTZCIIRTMLLMEQ-UHFFFAOYSA-N 0 1 298.415 2.856 20 30 CFEDMN C#CCN(Cc1cccc2cc[nH]c21)C1CSC1 ZINC000895813786 619613239 /nfs/dbraw/zinc/61/32/39/619613239.db2.gz HRWLLTVMHPUAQL-UHFFFAOYSA-N 0 1 256.374 2.719 20 30 CFEDMN C#CCN1CCC(Nc2cc(CCC)nc(Cl)n2)CC1 ZINC000895811763 619613443 /nfs/dbraw/zinc/61/34/43/619613443.db2.gz UNMRUTBLUOCEQQ-UHFFFAOYSA-N 0 1 292.814 2.592 20 30 CFEDMN C#CCN(Cc1cnc(-c2ccccc2)[nH]1)C1CSC1 ZINC000895814754 619613811 /nfs/dbraw/zinc/61/38/11/619613811.db2.gz YKGVKJRAPSKLBD-UHFFFAOYSA-N 0 1 283.400 2.627 20 30 CFEDMN N#Cc1cnc(Cl)c(CN2CC[C@@H]([C@@H]3CCCO3)C2)c1 ZINC000895844725 619618074 /nfs/dbraw/zinc/61/80/74/619618074.db2.gz OMCRGCDLWOQABN-OCCSQVGLSA-N 0 1 291.782 2.608 20 30 CFEDMN C=CCC1(O)CCN(Cc2cnc3c(C)cccn23)CC1 ZINC000895835131 619619904 /nfs/dbraw/zinc/61/99/04/619619904.db2.gz ACYPVYQBWQPVQF-UHFFFAOYSA-N 0 1 285.391 2.546 20 30 CFEDMN CC1(C)CC[C@@H](CO)N(Cc2csc(C#N)c2)C1 ZINC000895921985 619634855 /nfs/dbraw/zinc/63/48/55/619634855.db2.gz DWWXEOGNDXGMRL-LBPRGKRZSA-N 0 1 264.394 2.603 20 30 CFEDMN CO[C@@H]1CC[C@H](C)N(Cc2csc(C#N)c2)C1 ZINC000896076464 619666920 /nfs/dbraw/zinc/66/69/20/619666920.db2.gz QQJQVULWJNJWOD-CMPLNLGQSA-N 0 1 250.367 2.619 20 30 CFEDMN C=CCOc1ccccc1CN1CC[C@H](c2noc(C)n2)C1 ZINC000896236218 619701469 /nfs/dbraw/zinc/70/14/69/619701469.db2.gz FFTHOBOISKZNQL-HNNXBMFYSA-N 0 1 299.374 2.932 20 30 CFEDMN C=CC[C@H](NC(=O)[C@@H]1CCN1C(C)(C)C)c1ccncc1 ZINC000896384301 619726786 /nfs/dbraw/zinc/72/67/86/619726786.db2.gz AEXXVWDUBRNCJB-GJZGRUSLSA-N 0 1 287.407 2.688 20 30 CFEDMN C[C@H](CCC#N)CN1CCS[C@H](C(F)(F)F)C1 ZINC000896454895 619738159 /nfs/dbraw/zinc/73/81/59/619738159.db2.gz BBNACFULZKFQNW-ZJUUUORDSA-N 0 1 266.332 2.906 20 30 CFEDMN Cn1ccc(C2CCN(Cc3cc(C#N)cs3)CC2)n1 ZINC000896495197 619749105 /nfs/dbraw/zinc/74/91/05/619749105.db2.gz JCJQYKKSPVJRAX-UHFFFAOYSA-N 0 1 286.404 2.733 20 30 CFEDMN N#Cc1cccc(C[N@H+]2CCC[C@H](Cc3nccs3)C2)n1 ZINC000896527885 619753643 /nfs/dbraw/zinc/75/36/43/619753643.db2.gz JZEWNRYKXZYNCH-CYBMUJFWSA-N 0 1 298.415 2.864 20 30 CFEDMN N#Cc1cccc(CN2CCC[C@H](Cc3nccs3)C2)n1 ZINC000896527885 619753645 /nfs/dbraw/zinc/75/36/45/619753645.db2.gz JZEWNRYKXZYNCH-CYBMUJFWSA-N 0 1 298.415 2.864 20 30 CFEDMN CC(C)(/C=C\Cl)NCc1cnc2ccc(C#N)cn12 ZINC000896748506 619804887 /nfs/dbraw/zinc/80/48/87/619804887.db2.gz WJKJQHXWORWLHL-WAYWQWQTSA-N 0 1 274.755 2.827 20 30 CFEDMN C[C@H](NC(=O)[C@H]1CCN1C(C)(C)C)c1cccc(C#N)c1 ZINC000896764185 619809988 /nfs/dbraw/zinc/80/99/88/619809988.db2.gz GAUZSCZWDAFOGE-SWLSCSKDSA-N 0 1 285.391 2.608 20 30 CFEDMN N#Cc1ccc(O)c(NC(=O)[C@H]2CCOC3(CCC3)C2)c1 ZINC000896821282 619830259 /nfs/dbraw/zinc/83/02/59/619830259.db2.gz RHUVVIRCIZFCRG-LBPRGKRZSA-N 0 1 286.331 2.552 20 30 CFEDMN Cc1ccc(CNCc2ccnc(F)c2C)cc1C#N ZINC000896880831 619855803 /nfs/dbraw/zinc/85/58/03/619855803.db2.gz QDHRYTQPHIDPPF-UHFFFAOYSA-N 0 1 269.323 2.999 20 30 CFEDMN C=C1CC(C)(c2noc(-c3ccc4cncn4c3)n2)C1 ZINC000896920852 619889248 /nfs/dbraw/zinc/88/92/48/619889248.db2.gz UPVFREBGDUQPIM-UHFFFAOYSA-N 0 1 266.304 2.992 20 30 CFEDMN C#CCN1CCC(NC(=O)CC2(C)CCCCC2)CC1 ZINC000928654661 619937904 /nfs/dbraw/zinc/93/79/04/619937904.db2.gz LQKFIRIWZJIFDQ-UHFFFAOYSA-N 0 1 276.424 2.561 20 30 CFEDMN C#CCN1CCC(NC(=O)c2ccc3sccc3c2)CC1 ZINC000928656508 619941532 /nfs/dbraw/zinc/94/15/32/619941532.db2.gz XNFWQNIRFHSXEK-UHFFFAOYSA-N 0 1 298.411 2.729 20 30 CFEDMN C=C(Cl)CN[C@H]1CN(C(=O)/C(C)=C\C)CC1(C)C ZINC000995618033 625746185 /nfs/dbraw/zinc/74/61/85/625746185.db2.gz KLAIZKGVROWFLT-GYGFLDJKSA-N 0 1 270.804 2.532 20 30 CFEDMN C#CC[C@H](NC(=O)[C@H]1CCN1C(C)(C)C)c1ccccc1 ZINC000897232343 619954440 /nfs/dbraw/zinc/95/44/40/619954440.db2.gz NTQFTZNCCTXYOD-JKSUJKDBSA-N 0 1 284.403 2.740 20 30 CFEDMN C=C(Cl)CN[C@@H]1CCN(C(=O)c2ccc(F)cc2)[C@H]1C ZINC000985875562 620047116 /nfs/dbraw/zinc/04/71/16/620047116.db2.gz METNJZQAVBVPED-SMDDNHRTSA-N 0 1 296.773 2.771 20 30 CFEDMN C=C(Cl)CN[C@H]1CCN(C(=O)C2CCCCC2)[C@H]1C ZINC000985887672 620049116 /nfs/dbraw/zinc/04/91/16/620049116.db2.gz HQWGQKBCEPKPGC-JSGCOSHPSA-N 0 1 284.831 2.898 20 30 CFEDMN C=C(Cl)CN[C@@H]1CCN(C(=O)c2ccccc2)[C@@H]1C ZINC000985904618 620051235 /nfs/dbraw/zinc/05/12/35/620051235.db2.gz ZOKZOOKOWYGPAS-TZMCWYRMSA-N 0 1 278.783 2.632 20 30 CFEDMN CC(C)=CC(=O)N1CC[C@H](NCc2ccccc2C#N)[C@@H]1C ZINC000985934241 620053221 /nfs/dbraw/zinc/05/32/21/620053221.db2.gz YZZUPOLJECXEAV-YOEHRIQHSA-N 0 1 297.402 2.603 20 30 CFEDMN C=C(Cl)CN[C@H]1CCN(C(=O)CC(C)(C)C)[C@@H]1C ZINC000985978891 620056006 /nfs/dbraw/zinc/05/60/06/620056006.db2.gz XOLOMVFBTCNSEF-NEPJUHHUSA-N 0 1 272.820 2.754 20 30 CFEDMN C=C1CCC(C(=O)Nc2cc(N(C)C)ccn2)CC1 ZINC000897368871 620067448 /nfs/dbraw/zinc/06/74/48/620067448.db2.gz VVHVQKCWUDLPGN-UHFFFAOYSA-N 0 1 259.353 2.833 20 30 CFEDMN C=C(Cl)CN[C@@H]1CCN(C(=O)C2C=CC=CC=C2)[C@@H]1C ZINC000986315050 620079038 /nfs/dbraw/zinc/07/90/38/620079038.db2.gz HLBSIHQWRXLDMC-UKRRQHHQSA-N 0 1 292.810 2.616 20 30 CFEDMN C=C(Cl)CN[C@H]1CCN(C(=O)CC2(C)CC2)[C@H]1C ZINC000986579486 620091101 /nfs/dbraw/zinc/09/11/01/620091101.db2.gz CZXPSMAONGHVNP-RYUDHWBXSA-N 0 1 270.804 2.508 20 30 CFEDMN CCCCCCCNC(=O)[C@H](C)Cc1cnc[nH]1 ZINC000862355566 620111303 /nfs/dbraw/zinc/11/13/03/620111303.db2.gz RBPLKNNYUUTNJD-GFCCVEGCSA-N 0 1 251.374 2.675 20 30 CFEDMN C=C(Cl)CN[C@H]1CCN(C(=O)c2cc(C)[nH]c2C)[C@H]1C ZINC000987074991 620112219 /nfs/dbraw/zinc/11/22/19/620112219.db2.gz HOSRLJZMHAGHGU-JSGCOSHPSA-N 0 1 295.814 2.577 20 30 CFEDMN C=C(Cl)CN[C@H]1C[C@@H](C)N(C(=O)CC2CCCC2)C1 ZINC000987867326 620158017 /nfs/dbraw/zinc/15/80/17/620158017.db2.gz RWSFQAWGAZKGJO-OCCSQVGLSA-N 0 1 284.831 2.898 20 30 CFEDMN CC(C)=CC(=O)N1C[C@@H](NCc2ccccc2C#N)C[C@@H]1C ZINC000987866845 620158023 /nfs/dbraw/zinc/15/80/23/620158023.db2.gz MBEOLOCFKNAGPX-YOEHRIQHSA-N 0 1 297.402 2.603 20 30 CFEDMN C=C(Cl)CN[C@@H]1C[C@@H](C)N(C(=O)c2cccc(C)c2)C1 ZINC000987939644 620159357 /nfs/dbraw/zinc/15/93/57/620159357.db2.gz QQHITRBBTZYGNB-UKRRQHHQSA-N 0 1 292.810 2.940 20 30 CFEDMN C=C(Cl)CN[C@@H]1C[C@H](C)N(C(=O)c2cc(C)oc2C)C1 ZINC000988061572 620160929 /nfs/dbraw/zinc/16/09/29/620160929.db2.gz XYCLGFKTKFWQIL-GXFFZTMASA-N 0 1 296.798 2.842 20 30 CFEDMN N#Cc1c(F)cccc1CNC[C@H]1CC[C@@H](C2CC2)O1 ZINC000897505086 620195451 /nfs/dbraw/zinc/19/54/51/620195451.db2.gz IRFGXYWSTPINCP-CJNGLKHVSA-N 0 1 274.339 2.745 20 30 CFEDMN C=C(Cl)CN[C@@H]1C[C@H](C)N(C(=O)CCc2ccoc2)C1 ZINC000988570656 620202351 /nfs/dbraw/zinc/20/23/51/620202351.db2.gz YQQAIKZAWZUXGJ-GXTWGEPZSA-N 0 1 296.798 2.544 20 30 CFEDMN C#CCCSc1nc(-c2ccc(OC)cc2OC)n[nH]1 ZINC000179267651 620218966 /nfs/dbraw/zinc/21/89/66/620218966.db2.gz BPFXTLXVPRMOBC-UHFFFAOYSA-N 0 1 289.360 2.604 20 30 CFEDMN CCCSC[C@H](C)NCc1nc(C#N)cs1 ZINC000897625425 620263197 /nfs/dbraw/zinc/26/31/97/620263197.db2.gz DICYEQQJIURHIS-VIFPVBQESA-N 0 1 255.412 2.636 20 30 CFEDMN C=C(Cl)CN[C@@H]1C[C@H](C)N(C(=O)C2CC3(CC3)C2)C1 ZINC000989438288 620274851 /nfs/dbraw/zinc/27/48/51/620274851.db2.gz KIZAAMYHIYDJBE-WCQYABFASA-N 0 1 282.815 2.508 20 30 CFEDMN C=CCOc1cccc(CNCc2cnn(CCF)c2)c1 ZINC000897738212 620281303 /nfs/dbraw/zinc/28/13/03/620281303.db2.gz ZVUBXQJEKXMIFK-UHFFFAOYSA-N 0 1 289.354 2.707 20 30 CFEDMN C=CCONC(=O)[C@H](c1ccncc1)C1CCCC1 ZINC000897922047 620304832 /nfs/dbraw/zinc/30/48/32/620304832.db2.gz PTDCTMCVHJHWCC-AWEZNQCLSA-N 0 1 260.337 2.589 20 30 CFEDMN Cn1nc(CN[C@H]2CCC[C@H](C#N)C2)cc1C(F)(F)F ZINC000898021501 620324095 /nfs/dbraw/zinc/32/40/95/620324095.db2.gz JGIVLJUIPPDMRL-UWVGGRQHSA-N 0 1 286.301 2.611 20 30 CFEDMN C=CC(C)(C)CC(=O)Nc1cc(C(=O)OC(C)(C)C)[nH]n1 ZINC000898094989 620332526 /nfs/dbraw/zinc/33/25/26/620332526.db2.gz YXHKKSBBQGJFJU-UHFFFAOYSA-N 0 1 293.367 2.906 20 30 CFEDMN C=CC[N@@H+]1CCCN(C(=O)c2cccc(C)c2C)CC1 ZINC000989588787 620382476 /nfs/dbraw/zinc/38/24/76/620382476.db2.gz MOFVMIHHDKSKEN-UHFFFAOYSA-N 0 1 272.392 2.637 20 30 CFEDMN C=CCN1CCCN(C(=O)c2cccc(C)c2C)CC1 ZINC000989588787 620382480 /nfs/dbraw/zinc/38/24/80/620382480.db2.gz MOFVMIHHDKSKEN-UHFFFAOYSA-N 0 1 272.392 2.637 20 30 CFEDMN C=CCN1CCCN(C(=O)C[C@@H](C)c2ccccc2)CC1 ZINC000989609103 620383286 /nfs/dbraw/zinc/38/32/86/620383286.db2.gz REEMBWVYACMIKM-MRXNPFEDSA-N 0 1 286.419 2.901 20 30 CFEDMN C=CCN1CCCN(C(=O)Cc2ccccc2Cl)CC1 ZINC000989612761 620383493 /nfs/dbraw/zinc/38/34/93/620383493.db2.gz ZISVFCMDEUYTPT-UHFFFAOYSA-N 0 1 292.810 2.603 20 30 CFEDMN C=CCN1CCCN(C(=O)C23CCC(CC2)CC3)CC1 ZINC000989710049 620386953 /nfs/dbraw/zinc/38/69/53/620386953.db2.gz ZYNNULYLANKFBX-UHFFFAOYSA-N 0 1 276.424 2.677 20 30 CFEDMN C=CCN1CCCN(C(=O)C2(c3cccc(C)c3)CC2)CC1 ZINC000989743206 620389846 /nfs/dbraw/zinc/38/98/46/620389846.db2.gz GBPZKLOPSONHIQ-UHFFFAOYSA-N 0 1 298.430 2.747 20 30 CFEDMN C=CCN1CCCN(C(=O)c2ccc(C)c3c2CCC3)CC1 ZINC000989757111 620389853 /nfs/dbraw/zinc/38/98/53/620389853.db2.gz KVSREYGEBLYVCQ-UHFFFAOYSA-N 0 1 298.430 2.818 20 30 CFEDMN C=CC[N@@H+]1CCCN(C(=O)C[C@H]2CCCC[C@H]2C)CC1 ZINC000989775604 620391513 /nfs/dbraw/zinc/39/15/13/620391513.db2.gz ZTDFCODXMZVALX-HZPDHXFCSA-N 0 1 278.440 2.923 20 30 CFEDMN C=CCN1CCCN(C(=O)C[C@H]2CCCC[C@H]2C)CC1 ZINC000989775604 620391517 /nfs/dbraw/zinc/39/15/17/620391517.db2.gz ZTDFCODXMZVALX-HZPDHXFCSA-N 0 1 278.440 2.923 20 30 CFEDMN CCC(=O)N[C@@]12CCC[C@@H]1N(CC#Cc1ccccc1)CC2 ZINC000989866551 620395668 /nfs/dbraw/zinc/39/56/68/620395668.db2.gz GRUQYFNJRMIZAQ-PKOBYXMFSA-N 0 1 296.414 2.561 20 30 CFEDMN C=CCCCCCNC(=O)[C@H]1CCN1C(C)(C)C ZINC000898437084 620464449 /nfs/dbraw/zinc/46/44/49/620464449.db2.gz RPMOIEFJANREJC-CYBMUJFWSA-N 0 1 252.402 2.722 20 30 CFEDMN C=CCCONC(=O)[C@@H](c1ccncc1)C1CCCC1 ZINC000898938875 620508778 /nfs/dbraw/zinc/50/87/78/620508778.db2.gz BOQDQTSWDLXZJA-OAHLLOKOSA-N 0 1 274.364 2.979 20 30 CFEDMN C=CC[C@@H]1N(Cc2cn(CC)nn2)CCCC1(C)C ZINC000899266982 620537986 /nfs/dbraw/zinc/53/79/86/620537986.db2.gz IALXFCLDNKHERJ-AWEZNQCLSA-N 0 1 262.401 2.865 20 30 CFEDMN C#CC[C@H]1C(=O)N(c2ccc(OC(F)(F)F)cc2)N=C1C ZINC000899347360 620547815 /nfs/dbraw/zinc/54/78/15/620547815.db2.gz REKFETIISDFYQL-GFCCVEGCSA-N 0 1 296.248 2.947 20 30 CFEDMN C#CCc1c(C)[nH]n(-c2ccc(OC(F)(F)F)cc2)c1=O ZINC000899347360 620547817 /nfs/dbraw/zinc/54/78/17/620547817.db2.gz REKFETIISDFYQL-GFCCVEGCSA-N 0 1 296.248 2.947 20 30 CFEDMN Cn1nc2c(c1/C=C\C(=O)c1ccc(O)c(F)c1)CCC2 ZINC000899353492 620548425 /nfs/dbraw/zinc/54/84/25/620548425.db2.gz OZTFYFRGIZZXGC-VURMDHGXSA-N 0 1 286.306 2.650 20 30 CFEDMN C#CC[C@H]1C(=O)N(c2cccc3c2CCCC3)N=C1C ZINC000899348489 620549434 /nfs/dbraw/zinc/54/94/34/620549434.db2.gz AHBQHOIZZOBMNT-CQSZACIVSA-N 0 1 266.344 2.927 20 30 CFEDMN C#CCc1c(C)[nH]n(-c2cccc3c2CCCC3)c1=O ZINC000899348489 620549435 /nfs/dbraw/zinc/54/94/35/620549435.db2.gz AHBQHOIZZOBMNT-CQSZACIVSA-N 0 1 266.344 2.927 20 30 CFEDMN C#CC[C@H]1C(C)=NN(c2ccc(SC)cc2)C1=O ZINC000899349235 620549876 /nfs/dbraw/zinc/54/98/76/620549876.db2.gz YZWJBCCRHKXCOS-ZDUSSCGKSA-N 0 1 258.346 2.771 20 30 CFEDMN C#CCc1c(C)[nH]n(-c2ccc(SC)cc2)c1=O ZINC000899349235 620549878 /nfs/dbraw/zinc/54/98/78/620549878.db2.gz YZWJBCCRHKXCOS-ZDUSSCGKSA-N 0 1 258.346 2.771 20 30 CFEDMN C#CCCc1cc(=O)n(CCCOCc2ccccc2)[nH]1 ZINC000899358535 620551885 /nfs/dbraw/zinc/55/18/85/620551885.db2.gz YAMAQONFUPUJEY-UHFFFAOYSA-N 0 1 284.359 2.595 20 30 CFEDMN Cc1[nH]n(-c2ccc(F)c(F)c2)c(=O)c1CCC#N ZINC000899361258 620552940 /nfs/dbraw/zinc/55/29/40/620552940.db2.gz WLIYEKBWGPBPQO-SNVBAGLBSA-N 0 1 263.247 2.607 20 30 CFEDMN COc1ccc(C(=O)/C=C/c2c3c(nn2C)CCC3)c(O)c1 ZINC000899362333 620553156 /nfs/dbraw/zinc/55/31/56/620553156.db2.gz QIVADAKAOFOBDN-CMDGGOBGSA-N 0 1 298.342 2.519 20 30 CFEDMN C#CCCCCCC[N@@H+]1C[C@@H]2CCC[C@@]2(C(=O)[O-])C1 ZINC000901519399 620854683 /nfs/dbraw/zinc/85/46/83/620854683.db2.gz PPHUDSNLWIZJHP-GOEBONIOSA-N 0 1 263.381 2.757 20 30 CFEDMN C=CC[N@@H+](CC(=O)[O-])[C@H](C)CCc1cccc(F)c1 ZINC000901586604 620862698 /nfs/dbraw/zinc/86/26/98/620862698.db2.gz OOUCAGRMZDVFMD-GFCCVEGCSA-N 0 1 265.328 2.719 20 30 CFEDMN N#CCC[C@H](C#N)CNC[C@]1(c2ccccc2)CCCO1 ZINC000901630185 620875243 /nfs/dbraw/zinc/87/52/43/620875243.db2.gz HNBKGQYNLBZCAC-WBVHZDCISA-N 0 1 283.375 2.725 20 30 CFEDMN C=C(Br)CN1CCCCC[C@@H]1C[C@H](C)O ZINC000163154434 625451145 /nfs/dbraw/zinc/45/11/45/625451145.db2.gz LDDDGEMVBOIVNL-NWDGAFQWSA-N 0 1 276.218 2.911 20 30 CFEDMN C=CC[N@H+](Cc1cc(C)c(OCC(=O)[O-])c(C)c1)C1CC1 ZINC000902528231 621117925 /nfs/dbraw/zinc/11/79/25/621117925.db2.gz PUEFMETWLLZXBP-UHFFFAOYSA-N 0 1 289.375 2.917 20 30 CFEDMN Cc1nc2c(s1)[C@H]([N@H+](C)CCO[C@H](C)C#N)CCC2 ZINC000801932866 621160968 /nfs/dbraw/zinc/16/09/68/621160968.db2.gz ZXAOBGCZYBDGDA-ZWNOBZJWSA-N 0 1 279.409 2.689 20 30 CFEDMN CC(C)CCOCCN[C@H](C)c1cc(C#N)ccn1 ZINC000902780713 621172248 /nfs/dbraw/zinc/17/22/48/621172248.db2.gz PIDYTYPSIOLGII-CYBMUJFWSA-N 0 1 261.369 2.667 20 30 CFEDMN C[C@@H](NC[C@@H]1OCCc2ccccc21)c1cc(C#N)ccn1 ZINC000902865646 621191644 /nfs/dbraw/zinc/19/16/44/621191644.db2.gz OBTPPKNUFDLYAD-ACJLOTCBSA-N 0 1 293.370 2.918 20 30 CFEDMN CC[C@@H](NCc1ccnc(N(C)C)n1)c1cccc(C#N)c1 ZINC000902895685 621201918 /nfs/dbraw/zinc/20/19/18/621201918.db2.gz CIIIPONJIDESTC-MRXNPFEDSA-N 0 1 295.390 2.655 20 30 CFEDMN CCC(C)(C)OCCN[C@@H](C)c1cc(C#N)ccn1 ZINC000903017248 621222316 /nfs/dbraw/zinc/22/23/16/621222316.db2.gz QLUKDYFXKSSUIP-LBPRGKRZSA-N 0 1 261.369 2.809 20 30 CFEDMN C[C@@H](NCC1(C#N)CCC1)c1ccccc1-n1ccnn1 ZINC000903035968 621230890 /nfs/dbraw/zinc/23/08/90/621230890.db2.gz XZLWOWDJNDDRTQ-CYBMUJFWSA-N 0 1 281.363 2.612 20 30 CFEDMN N#CC1(CC[N@H+]2CC[C@H](Nc3ncccn3)C2)CCCCC1 ZINC000903023676 621234054 /nfs/dbraw/zinc/23/40/54/621234054.db2.gz PMLRIBQMGLRKKX-HNNXBMFYSA-N 0 1 299.422 2.827 20 30 CFEDMN C=CCC[C@H](NCc1cnn(CC)n1)[C@@]1(C)CCCCO1 ZINC000903063514 621238288 /nfs/dbraw/zinc/23/82/88/621238288.db2.gz DKAYHABDDQCQGP-JKSUJKDBSA-N 0 1 292.427 2.682 20 30 CFEDMN CC(=O)N1CC[C@H](NCC(C)(C)C#N)c2ccccc2C1 ZINC000903100803 621252863 /nfs/dbraw/zinc/25/28/63/621252863.db2.gz YOLRTMJMOCPEPX-INIZCTEOSA-N 0 1 285.391 2.619 20 30 CFEDMN CC(=O)N1CC[C@@H](NCC(C)(C)C#N)c2ccccc2C1 ZINC000903100804 621252932 /nfs/dbraw/zinc/25/29/32/621252932.db2.gz YOLRTMJMOCPEPX-MRXNPFEDSA-N 0 1 285.391 2.619 20 30 CFEDMN C[C@@H](NCc1cnn(CCF)c1)c1ccc(C#N)c(F)c1 ZINC000903274929 621309937 /nfs/dbraw/zinc/30/99/37/621309937.db2.gz UBHGTUOBXWVSLD-LLVKDONJSA-N 0 1 290.317 2.714 20 30 CFEDMN CC[C@@H](NCc1cnn(CCF)c1)c1cccc(C#N)c1 ZINC000903275110 621310430 /nfs/dbraw/zinc/31/04/30/621310430.db2.gz WRKTWHIUUNDIPT-MRXNPFEDSA-N 0 1 286.354 2.965 20 30 CFEDMN Cc1cc(C#N)cc(C)c1C[N@H+]1CC[C@H](C(=O)[O-])[C@H](C)C1 ZINC000903408169 621363434 /nfs/dbraw/zinc/36/34/34/621363434.db2.gz FUYLHDCRPLCPSH-HIFRSBDPSA-N 0 1 286.375 2.718 20 30 CFEDMN CC[N@@H+](Cc1cc(Cl)cc(C#N)c1)[C@H](C)C(=O)[O-] ZINC000903409214 621363925 /nfs/dbraw/zinc/36/39/25/621363925.db2.gz RCQLJUDZUDVVEZ-SECBINFHSA-N 0 1 266.728 2.507 20 30 CFEDMN C[C@H](C[N@@H+](C)CCCCC1(C#N)CCC1)C(=O)[O-] ZINC000903701743 621421706 /nfs/dbraw/zinc/42/17/06/621421706.db2.gz LNWXDCHWWMXHFT-GFCCVEGCSA-N 0 1 252.358 2.503 20 30 CFEDMN C=CC[N@H+](CC(=O)[O-])C[C@H]1CCC2(CCCCCC2)O1 ZINC000903896846 621466515 /nfs/dbraw/zinc/46/65/15/621466515.db2.gz WDEMPJZNJXGIEV-CQSZACIVSA-N 0 1 281.396 2.831 20 30 CFEDMN C=C(Br)C[N@@H+]1[C@H](C)C[C@H](C)[C@@H](C(=O)[O-])[C@H]1C ZINC000903952461 621487982 /nfs/dbraw/zinc/48/79/82/621487982.db2.gz YUUFFNKMPNAJPS-AYHFEMFVSA-N 0 1 290.201 2.715 20 30 CFEDMN CCCCCCN(O)C(=O)c1nnc2ccccc2c1O ZINC000904204779 621550406 /nfs/dbraw/zinc/55/04/06/621550406.db2.gz UZPWWWIMLHZVNM-UHFFFAOYSA-N 0 1 289.335 2.747 20 30 CFEDMN CC(C)(C(=O)Nc1cccc(C#N)c1)N1CCCCC1 ZINC000905078470 621690162 /nfs/dbraw/zinc/69/01/62/621690162.db2.gz SFFUIKOGJNPTTN-UHFFFAOYSA-N 0 1 271.364 2.761 20 30 CFEDMN CC(C)(C)NCc1cn(-c2ccc(Cl)cc2C#N)nn1 ZINC000905059516 621695035 /nfs/dbraw/zinc/69/50/35/621695035.db2.gz TZFJFTPQJYIGPC-UHFFFAOYSA-N 0 1 289.770 2.680 20 30 CFEDMN Clc1cccc(N=NC2C[C@H]3CCC[N@H+](C2)C3)n1 ZINC000905469832 621781333 /nfs/dbraw/zinc/78/13/33/621781333.db2.gz JIFOVRSMWXFUBE-SNVBAGLBSA-N 0 1 264.760 2.619 20 30 CFEDMN Clc1cccc(N=NC2C[C@H]3CCCN(C2)C3)n1 ZINC000905469832 621781338 /nfs/dbraw/zinc/78/13/38/621781338.db2.gz JIFOVRSMWXFUBE-SNVBAGLBSA-N 0 1 264.760 2.619 20 30 CFEDMN CCOCc1nc(C)cc(NN=Cc2cnc(C)s2)n1 ZINC000905506934 621783164 /nfs/dbraw/zinc/78/31/64/621783164.db2.gz QDFQWYMOQHTCQH-UHFFFAOYSA-N 0 1 291.380 2.532 20 30 CFEDMN N#Cc1cc(-c2cncc([C@@H]3CCC[NH2+]3)c2)ccc1[O-] ZINC000906171127 621943401 /nfs/dbraw/zinc/94/34/01/621943401.db2.gz QRKHGXNXRVBKCL-HNNXBMFYSA-N 0 1 265.316 2.750 20 30 CFEDMN CCCNc1ccc(C#N)cc1NC(=O)c1[nH]cnc1CC ZINC000906793481 622047881 /nfs/dbraw/zinc/04/78/81/622047881.db2.gz RMWLJZOOJIZBKM-UHFFFAOYSA-N 0 1 297.362 2.918 20 30 CFEDMN N#CCCC[C@@H](NC(=O)Cc1cnc[nH]1)c1ccccc1 ZINC000908382052 622223780 /nfs/dbraw/zinc/22/37/80/622223780.db2.gz FNFBYVOMVZJBJJ-OAHLLOKOSA-N 0 1 282.347 2.504 20 30 CFEDMN C=CCCC(=O)[C@@H]1CCCN1C(=O)c1cccc2n[nH]cc21 ZINC000908641141 622258521 /nfs/dbraw/zinc/25/85/21/622258521.db2.gz AAGZUMATLRVIEO-HNNXBMFYSA-N 0 1 297.358 2.703 20 30 CFEDMN C=C[C@@H](C)ONC(=O)Cc1sc(CCCC)nc1C ZINC000911902932 622578652 /nfs/dbraw/zinc/57/86/52/622578652.db2.gz JFSVSMQIHOUZIV-SNVBAGLBSA-N 0 1 282.409 2.959 20 30 CFEDMN CCCCCNC(=O)C(C#N)C(=O)[C@H]1CCCC[C@@H]1C ZINC000819942308 622578860 /nfs/dbraw/zinc/57/88/60/622578860.db2.gz ZAMIVWSIRYBXJJ-MELADBBJSA-N 0 1 278.396 2.828 20 30 CFEDMN C[C@@H]1CCCC[C@H]1C(=O)[C@H](C#N)C(=O)NC1CCCCC1 ZINC000819945545 622579225 /nfs/dbraw/zinc/57/92/25/622579225.db2.gz UZBSWFXWYRHIAW-YUELXQCFSA-N 0 1 290.407 2.970 20 30 CFEDMN C[C@@H]1CCCC[C@@H]1C(=O)[C@@H](C#N)C(=O)NC1CCCC1 ZINC000819947402 622580438 /nfs/dbraw/zinc/58/04/38/622580438.db2.gz BHSPUJAZCPHRRD-KWCYVHTRSA-N 0 1 276.380 2.580 20 30 CFEDMN C#CCNCC(=O)N([C@@H](C)c1ccccc1Cl)C1CC1 ZINC000912330498 622682200 /nfs/dbraw/zinc/68/22/00/622682200.db2.gz CKIKTTRHSOWWJD-LBPRGKRZSA-N 0 1 290.794 2.615 20 30 CFEDMN Cc1cnc(N2CCCN(Cc3ccc(C#N)cc3)CC2)o1 ZINC000820609159 622715665 /nfs/dbraw/zinc/71/56/65/622715665.db2.gz DPAXMWAUXWSACQ-UHFFFAOYSA-N 0 1 296.374 2.567 20 30 CFEDMN CC#CC(=O)N(C)Cc1nc2ccc(C(F)(F)F)cc2[nH]1 ZINC000912445394 622717487 /nfs/dbraw/zinc/71/74/87/622717487.db2.gz JNXZMXLTVIWVMA-UHFFFAOYSA-N 0 1 295.264 2.563 20 30 CFEDMN CC#CCN(C)C(=O)c1cccc2[nH]c(C(F)F)nc21 ZINC000820820214 622765863 /nfs/dbraw/zinc/76/58/63/622765863.db2.gz RODJGCAOKSPBFZ-UHFFFAOYSA-N 0 1 277.274 2.596 20 30 CFEDMN CN(C)Cc1cccc(C(=O)/C=C\c2cocn2)c1 ZINC000821017687 622822584 /nfs/dbraw/zinc/82/25/84/622822584.db2.gz LTBHFPASXNJRFP-SREVYHEPSA-N 0 1 256.305 2.632 20 30 CFEDMN N#CC(C(=O)CSCc1cscn1)c1ccccn1 ZINC000156472525 622945042 /nfs/dbraw/zinc/94/50/42/622945042.db2.gz MIUJRMWYIMPDJD-LLVKDONJSA-N 0 1 289.385 2.648 20 30 CFEDMN C=CCc1cc(CN2CCOC[C@@H]2CC)c(O)c(OC)c1 ZINC000164359023 622950279 /nfs/dbraw/zinc/95/02/79/622950279.db2.gz BSCRPDCWBUNJKF-HNNXBMFYSA-N 0 1 291.391 2.740 20 30 CFEDMN O=C(/C=C/c1csc([N+](=O)[O-])c1)c1cc(O)ccc1O ZINC000156647754 622952364 /nfs/dbraw/zinc/95/23/64/622952364.db2.gz GOCYLCUHRWEFJA-HNQUOIGGSA-N 0 1 291.284 2.964 20 30 CFEDMN Cc1n[nH]c(C)c1/C=C/C(=O)c1cc(F)ccc1O ZINC000156668813 622953275 /nfs/dbraw/zinc/95/32/75/622953275.db2.gz KKEJEPYXPJHPKR-GQCTYLIASA-N 0 1 260.268 2.767 20 30 CFEDMN C=CCc1cc(CN2CCO[C@@H](C)[C@@H]2C)c(O)c(OC)c1 ZINC000164514561 622957230 /nfs/dbraw/zinc/95/72/30/622957230.db2.gz FMERKMANNOZEEN-STQMWFEESA-N 0 1 291.391 2.739 20 30 CFEDMN Cc1cc(C#N)cc(NC(=O)[C@@H]2CCCN2C(C)C)c1 ZINC000822063328 623026492 /nfs/dbraw/zinc/02/64/92/623026492.db2.gz CALOJVLATDEXMW-HNNXBMFYSA-N 0 1 271.364 2.678 20 30 CFEDMN CCCCCC[C@@H](C)CC(=O)[C@@H](C#N)C(=O)NC1CC1 ZINC000171036639 623201421 /nfs/dbraw/zinc/20/14/21/623201421.db2.gz LJTFJDLTVWMJCG-TZMCWYRMSA-N 0 1 278.396 2.970 20 30 CFEDMN C#CCOc1ccccc1CNCc1ccc(OC)c(O)c1 ZINC000171135174 623207445 /nfs/dbraw/zinc/20/74/45/623207445.db2.gz SNPGYGDMJLZDKA-UHFFFAOYSA-N 0 1 297.354 2.703 20 30 CFEDMN CCCCCNC(=O)C(C#N)C(=O)[C@@H](SCC)C(C)C ZINC000171363976 623219621 /nfs/dbraw/zinc/21/96/21/623219621.db2.gz YUCMBSQOSYLREX-OCCSQVGLSA-N 0 1 298.452 2.779 20 30 CFEDMN CC(C)(C)c1n[nH]cc1CNCc1ccc(OCC#N)cc1 ZINC000171769130 623241971 /nfs/dbraw/zinc/24/19/71/623241971.db2.gz DUHJVVNRDCCHRA-UHFFFAOYSA-N 0 1 298.390 2.899 20 30 CFEDMN N#CCCC[C@H](NC(=O)CN1CCCC1)c1ccccc1 ZINC000823145153 623245051 /nfs/dbraw/zinc/24/50/51/623245051.db2.gz OEVNHIBNWNAOKT-INIZCTEOSA-N 0 1 285.391 2.634 20 30 CFEDMN CC(C)[C@@H](C)C(=O)C(C#N)C(=O)Nc1ccccc1 ZINC000172020746 623253641 /nfs/dbraw/zinc/25/36/41/623253641.db2.gz FEVSFVWKOFFGIC-DGCLKSJQSA-N 0 1 258.321 2.626 20 30 CFEDMN COc1ccc(NC(=O)C(C#N)C(=O)[C@@H](C)C(C)C)cc1 ZINC000172021524 623253947 /nfs/dbraw/zinc/25/39/47/623253947.db2.gz CEPPGPPAHXZAQS-SMDDNHRTSA-N 0 1 288.347 2.635 20 30 CFEDMN CCCCCC[C@@H](C)C(=O)C(C#N)C(=O)NC(C)C ZINC000173983001 623378799 /nfs/dbraw/zinc/37/87/99/623378799.db2.gz IZVNBHHJMZVYFS-OLZOCXBDSA-N 0 1 266.385 2.826 20 30 CFEDMN C=CCCCC[C@@H](C)N[C@@H](C)c1nnnn1C1CC1 ZINC000824281755 623482855 /nfs/dbraw/zinc/48/28/55/623482855.db2.gz JSRATDOFFQUTOB-NEPJUHHUSA-N 0 1 263.389 2.794 20 30 CFEDMN C#CCN1CC[C@@]2(NC(=O)c3ccc(C=C)cc3)CCC[C@@H]12 ZINC000992284577 623505490 /nfs/dbraw/zinc/50/54/90/623505490.db2.gz OVMGGGARZMEXOL-MJGOQNOKSA-N 0 1 294.398 2.690 20 30 CFEDMN C=CCCCCCN1CCC(C#N)(C(=O)OC)CC1 ZINC000831699536 623722261 /nfs/dbraw/zinc/72/22/61/623722261.db2.gz OWPHHPJOPSRGFW-UHFFFAOYSA-N 0 1 264.369 2.512 20 30 CFEDMN O=C(/C=C/c1cc(F)c(O)c(F)c1)c1cc(O)cc(O)c1 ZINC000152691884 623757115 /nfs/dbraw/zinc/75/71/15/623757115.db2.gz OJRXOPUMXGZZBM-OWOJBTEDSA-N 0 1 292.237 2.978 20 30 CFEDMN C#C[C@H](NCc1cc(C)c(C(=O)OC)o1)C(C)(C)C ZINC000825940373 623772707 /nfs/dbraw/zinc/77/27/07/623772707.db2.gz VDORKPAYBKMJCR-LBPRGKRZSA-N 0 1 263.337 2.512 20 30 CFEDMN C=C1C[C@H]2CC[C@@H](C1)N2C(=O)c1cccc(F)c1O ZINC000826018879 623782791 /nfs/dbraw/zinc/78/27/91/623782791.db2.gz QBNSWUNFSNRLSP-PHIMTYICSA-N 0 1 261.296 2.855 20 30 CFEDMN C#CCSCCNCc1c(F)cccc1Cl ZINC000152917819 623791000 /nfs/dbraw/zinc/79/10/00/623791000.db2.gz UGYVJGLQDRYEJO-UHFFFAOYSA-N 0 1 257.761 2.935 20 30 CFEDMN C#CCCN1CCC[C@H](NC(=O)c2ccc(C)s2)[C@H]1C ZINC000992967774 623821872 /nfs/dbraw/zinc/82/18/72/623821872.db2.gz OITAUBHDSGDLFI-KGLIPLIRSA-N 0 1 290.432 2.663 20 30 CFEDMN C=CC[N@@H+]1CCC[C@@H](NC(=O)c2ccccc2F)[C@H]1C ZINC000992980010 623825667 /nfs/dbraw/zinc/82/56/67/623825667.db2.gz HSKIPKRWGBYCFI-IUODEOHRSA-N 0 1 276.355 2.594 20 30 CFEDMN C=CCN1CCC[C@@H](NC(=O)c2ccccc2F)[C@H]1C ZINC000992980010 623825673 /nfs/dbraw/zinc/82/56/73/623825673.db2.gz HSKIPKRWGBYCFI-IUODEOHRSA-N 0 1 276.355 2.594 20 30 CFEDMN C=C[C@H](CC)CC(=O)NC[C@@H]1CCN1Cc1ccccc1 ZINC000826635002 623826536 /nfs/dbraw/zinc/82/65/36/623826536.db2.gz KGIHUNCONWQJTL-WBVHZDCISA-N 0 1 286.419 2.979 20 30 CFEDMN C=C(C)C[N@@H+]1CCC[C@H](NC(=O)Cc2cccs2)[C@@H]1C ZINC000992981483 623829378 /nfs/dbraw/zinc/82/93/78/623829378.db2.gz LEISEDVGJGPFTG-ZFWWWQNUSA-N 0 1 292.448 2.836 20 30 CFEDMN CC#CC[N@H+]1CCC[C@H](NC(=O)C2CCCCC2)[C@@H]1C ZINC000992987596 623833763 /nfs/dbraw/zinc/83/37/63/623833763.db2.gz PPQDVJCGFHEGKW-HOCLYGCPSA-N 0 1 276.424 2.559 20 30 CFEDMN CC#CCN1CCC[C@H](NC(=O)C2CCCCC2)[C@@H]1C ZINC000992987596 623833771 /nfs/dbraw/zinc/83/37/71/623833771.db2.gz PPQDVJCGFHEGKW-HOCLYGCPSA-N 0 1 276.424 2.559 20 30 CFEDMN C=C(C)C[N@@H+]1CCC[C@H](NC(=O)c2cccc(F)c2)[C@@H]1C ZINC000992986831 623834164 /nfs/dbraw/zinc/83/41/64/623834164.db2.gz HFYFKBGGDQPMTR-BBRMVZONSA-N 0 1 290.382 2.985 20 30 CFEDMN C#CCC[N@@H+]1CCC[C@@H](NC(=O)C2CCCCC2)[C@@H]1C ZINC000992987362 623834996 /nfs/dbraw/zinc/83/49/96/623834996.db2.gz NTTYDAGEBAIECT-GOEBONIOSA-N 0 1 276.424 2.559 20 30 CFEDMN Cn1cc(NN=C2CCCc3ccc(F)cc32)cn1 ZINC000761865738 623841173 /nfs/dbraw/zinc/84/11/73/623841173.db2.gz CGQSLOSBAZGNNC-UHFFFAOYSA-N 0 1 258.300 2.712 20 30 CFEDMN C#CCOc1ccc(CN2CCO[C@@](C)(C3CC3)C2)cc1 ZINC000826877878 623901117 /nfs/dbraw/zinc/90/11/17/623901117.db2.gz MWQHCJBFWWBJHW-GOSISDBHSA-N 0 1 285.387 2.700 20 30 CFEDMN CCn1ccnc1C(C)N=Nc1ccc(F)cc1OC ZINC000834975986 623915667 /nfs/dbraw/zinc/91/56/67/623915667.db2.gz BSIJCZVFNWVOJC-UHFFFAOYSA-N 0 1 276.315 2.887 20 30 CFEDMN CC[C@@H](C)NN=C1CC(C)(C)Oc2ccc(N)cc21 ZINC000814913284 623917411 /nfs/dbraw/zinc/91/74/11/623917411.db2.gz KKWBZDFWHVWGSI-SNVBAGLBSA-N 0 1 261.369 2.922 20 30 CFEDMN N#CCC1CN(Cc2cc(Cl)c(F)cc2O)C1 ZINC000826986824 623919405 /nfs/dbraw/zinc/91/94/05/623919405.db2.gz YZHWGDQWVDQTNU-UHFFFAOYSA-N 0 1 254.692 2.530 20 30 CFEDMN CCCCCCCC(=O)N1CCNC[C@H]1CCC ZINC000834469445 625687671 /nfs/dbraw/zinc/68/76/71/625687671.db2.gz BRAHNMRCDVDYIE-CQSZACIVSA-N 0 1 254.418 2.947 20 30 CFEDMN CC#CCN1CCC[C@H](NC(=O)C2CCCCCC2)[C@@H]1C ZINC000993140965 623945034 /nfs/dbraw/zinc/94/50/34/623945034.db2.gz NZAIPVSSVOIHQD-RDJZCZTQSA-N 0 1 290.451 2.949 20 30 CFEDMN CC#CCN1CCC[C@@H](NC(=O)C(C)=C2CCCC2)[C@@H]1C ZINC000993199056 624017454 /nfs/dbraw/zinc/01/74/54/624017454.db2.gz LHIFRZIITFQVIS-DOTOQJQBSA-N 0 1 288.435 2.869 20 30 CFEDMN C#C[C@H](NCc1ccc([C@@H]2C[C@H]2C)o1)C1CCOCC1 ZINC000827570597 624036069 /nfs/dbraw/zinc/03/60/69/624036069.db2.gz OXHBNPZCYLBREG-WQVCFCJDSA-N 0 1 273.376 2.921 20 30 CFEDMN C[C@@]1(C#N)CCN(Cc2cccc(Cl)c2O)C1 ZINC000827650818 624052089 /nfs/dbraw/zinc/05/20/89/624052089.db2.gz VNVCSUVXFHQKDZ-ZDUSSCGKSA-N 0 1 250.729 2.781 20 30 CFEDMN C=CCN1CCC[C@@H](NC(=O)c2c(C)coc2C)[C@@H]1C ZINC000993281099 624060758 /nfs/dbraw/zinc/06/07/58/624060758.db2.gz ORDKDCWHEWTRFJ-GXTWGEPZSA-N 0 1 276.380 2.665 20 30 CFEDMN CC#CCN1CCC[C@@H](NC(=O)C2=CCCCCC2)[C@@H]1C ZINC000993304403 624069501 /nfs/dbraw/zinc/06/95/01/624069501.db2.gz RXGTXSBPMTUSMI-DOTOQJQBSA-N 0 1 288.435 2.869 20 30 CFEDMN C#CCCN(CCOC)Cc1cc(F)cc(Cl)c1 ZINC000827823596 624103848 /nfs/dbraw/zinc/10/38/48/624103848.db2.gz QTIOPAHLTSNVTF-UHFFFAOYSA-N 0 1 269.747 2.951 20 30 CFEDMN C=CCn1c(SCc2[nH]ncc2C)nnc1C1CC1 ZINC000915821563 624124375 /nfs/dbraw/zinc/12/43/75/624124375.db2.gz GJDWJMXSYLPVDF-UHFFFAOYSA-N 0 1 275.381 2.665 20 30 CFEDMN C=CC[N@@H+]1CCC[C@@H](NC(=O)c2cccc(C)c2F)[C@@H]1C ZINC000993368603 624124565 /nfs/dbraw/zinc/12/45/65/624124565.db2.gz XVODXCRHDMHCCM-DZGCQCFKSA-N 0 1 290.382 2.903 20 30 CFEDMN C=CCN1CCC[C@@H](NC(=O)c2cccc(C)c2F)[C@@H]1C ZINC000993368603 624124567 /nfs/dbraw/zinc/12/45/67/624124567.db2.gz XVODXCRHDMHCCM-DZGCQCFKSA-N 0 1 290.382 2.903 20 30 CFEDMN C=CC[N@@H+]1CCC[C@@H](NC(=O)c2cccc(C)c2F)[C@H]1C ZINC000993368609 624124572 /nfs/dbraw/zinc/12/45/72/624124572.db2.gz XVODXCRHDMHCCM-UKRRQHHQSA-N 0 1 290.382 2.903 20 30 CFEDMN C=CCN1CCC[C@@H](NC(=O)c2cccc(C)c2F)[C@H]1C ZINC000993368609 624124575 /nfs/dbraw/zinc/12/45/75/624124575.db2.gz XVODXCRHDMHCCM-UKRRQHHQSA-N 0 1 290.382 2.903 20 30 CFEDMN C=CCN1CCC[C@H](NC(=O)c2[nH]ccc2C2CC2)[C@@H]1C ZINC000993410692 624136920 /nfs/dbraw/zinc/13/69/20/624136920.db2.gz PBHXTXZKXSJIOT-WFASDCNBSA-N 0 1 287.407 2.661 20 30 CFEDMN C=CCN1CCC[C@H](NC(=O)c2nc(C)sc2C)[C@@H]1C ZINC000993503964 624147753 /nfs/dbraw/zinc/14/77/53/624147753.db2.gz LVTKYSYDHNDALO-GWCFXTLKSA-N 0 1 293.436 2.529 20 30 CFEDMN C=CCN1CCC[C@@H](NC(=O)c2ccc(CC)o2)[C@H]1C ZINC000993480995 624148137 /nfs/dbraw/zinc/14/81/37/624148137.db2.gz DOVBDEIFSAXXOR-TZMCWYRMSA-N 0 1 276.380 2.611 20 30 CFEDMN C=CCN1CCC[C@H](NC(=O)c2nccc3occc32)[C@H]1C ZINC000993619625 624154971 /nfs/dbraw/zinc/15/49/71/624154971.db2.gz GZRLMTYZICWVAH-OCCSQVGLSA-N 0 1 299.374 2.597 20 30 CFEDMN CC#CCN1CCC[C@@H](NC(=O)C2(C)CCCC2)[C@H]1C ZINC000993637390 624155385 /nfs/dbraw/zinc/15/53/85/624155385.db2.gz SFBOBJDHJIVCCV-HUUCEWRRSA-N 0 1 276.424 2.559 20 30 CFEDMN C=CCN1CCC[C@@H](NC(=O)c2cc(F)ccc2C)[C@@H]1C ZINC000993654310 624156413 /nfs/dbraw/zinc/15/64/13/624156413.db2.gz FLTBBBJQOYFOQY-XJKSGUPXSA-N 0 1 290.382 2.903 20 30 CFEDMN CC#CCN1CCC[C@H](NC(=O)C2(C3CC3)CCC2)[C@@H]1C ZINC000993671827 624158309 /nfs/dbraw/zinc/15/83/09/624158309.db2.gz VDSVQUCPOAGUEJ-HOCLYGCPSA-N 0 1 288.435 2.559 20 30 CFEDMN C=C(C)CN1CCC[C@@H](NC(=O)c2cc(C)co2)[C@H]1C ZINC000993696686 624162334 /nfs/dbraw/zinc/16/23/34/624162334.db2.gz UJNYKAIBDUJSLW-ZIAGYGMSSA-N 0 1 276.380 2.747 20 30 CFEDMN C=C(C)CN1CCC[C@@H](NC(=O)c2csc(C)n2)[C@H]1C ZINC000993692880 624162369 /nfs/dbraw/zinc/16/23/69/624162369.db2.gz KAINDVCJDLLPHW-DGCLKSJQSA-N 0 1 293.436 2.610 20 30 CFEDMN CC#CCN1CCC[C@H](NC(=O)C2(C)CCCCC2)[C@@H]1C ZINC000993748279 624165171 /nfs/dbraw/zinc/16/51/71/624165171.db2.gz XZDUSSDIRREEEN-HOTGVXAUSA-N 0 1 290.451 2.949 20 30 CFEDMN C=CCN1CCC[C@@H](NC(=O)c2cc(C(C)C)no2)[C@H]1C ZINC000993931132 624174155 /nfs/dbraw/zinc/17/41/55/624174155.db2.gz RYZSTOBMSYIGCK-CHWSQXEVSA-N 0 1 291.395 2.567 20 30 CFEDMN C=CCN1CCC[C@@H](NC(=O)c2csc(C)c2)[C@@H]1C ZINC000993985306 624176875 /nfs/dbraw/zinc/17/68/75/624176875.db2.gz JDNMDGFCWMEJEV-GXTWGEPZSA-N 0 1 278.421 2.825 20 30 CFEDMN C=CCN1CCC[C@H](NC(=O)c2cncc(Cl)c2)[C@H]1C ZINC000994011729 624177135 /nfs/dbraw/zinc/17/71/35/624177135.db2.gz UODOLEFOAGWUMI-RISCZKNCSA-N 0 1 293.798 2.504 20 30 CFEDMN C=CCN1CCC[C@@H](NC(=O)C2(C)CC(F)(F)C2)[C@H]1C ZINC000994209916 624183261 /nfs/dbraw/zinc/18/32/61/624183261.db2.gz WVLMVAOFKOUROR-VXGBXAGGSA-N 0 1 286.366 2.577 20 30 CFEDMN Cc1nn(C)c(C)c1C=NNc1ccc(C(F)(F)F)cn1 ZINC000915917617 624188189 /nfs/dbraw/zinc/18/81/89/624188189.db2.gz IKZNATNTTAEJFZ-UHFFFAOYSA-N 0 1 297.284 2.897 20 30 CFEDMN C=C[C@H](CC)CC(=O)NCCN1CCc2ccccc2C1 ZINC000929910895 624190744 /nfs/dbraw/zinc/19/07/44/624190744.db2.gz PRDXKTVVRQIBMO-OAHLLOKOSA-N 0 1 286.419 2.763 20 30 CFEDMN CC(C)(C)n1cc(C=NNc2ccccc2[N+](=O)[O-])cn1 ZINC000915933754 624193684 /nfs/dbraw/zinc/19/36/84/624193684.db2.gz HBBWGRMYRXZXHO-UHFFFAOYSA-N 0 1 287.323 2.992 20 30 CFEDMN COc1ccc(C)cc1C(C)=NNCCN1CCCCC1 ZINC000915973465 624198645 /nfs/dbraw/zinc/19/86/45/624198645.db2.gz JJCHSUAGJKYONM-UHFFFAOYSA-N 0 1 289.423 2.803 20 30 CFEDMN Cc1ccc(C=Nn2c(=S)[nH]nc2C(F)(F)F)cc1 ZINC000916305049 624238366 /nfs/dbraw/zinc/23/83/66/624238366.db2.gz KIPJLSUASIFWFG-UHFFFAOYSA-N 0 1 286.282 2.776 20 30 CFEDMN C#CCN1CCC[C@@H](NC(=O)c2cc(C)cc(C)c2)[C@H]1C ZINC000994293869 624275125 /nfs/dbraw/zinc/27/51/25/624275125.db2.gz CLUKXRNEDMWILX-NVXWUHKLSA-N 0 1 284.403 2.519 20 30 CFEDMN C=CCN1CCC[C@H](NC(=O)c2ccc3c(c2)CCC3)[C@@H]1C ZINC000994388875 624289382 /nfs/dbraw/zinc/28/93/82/624289382.db2.gz NYHUDGRTYUDSBX-KSSFIOAISA-N 0 1 298.430 2.944 20 30 CFEDMN N#CC(C(=O)CC1CC1)C(=O)Nc1ccc(F)c(Cl)c1 ZINC000916940336 624293869 /nfs/dbraw/zinc/29/38/69/624293869.db2.gz YAYMTAYKGLJYFD-JTQLQIEISA-N 0 1 294.713 2.927 20 30 CFEDMN C=CCN1CCC[C@H](NC(=O)c2cccn2C(C)C)[C@H]1C ZINC000994427031 624294648 /nfs/dbraw/zinc/29/46/48/624294648.db2.gz UQJZITTZDKLTLV-CABCVRRESA-N 0 1 289.423 2.838 20 30 CFEDMN CCN1c2ccc(C)cc2C(=N[N-]c2cccc[nH+]2)C1=O ZINC000917026796 624300643 /nfs/dbraw/zinc/30/06/43/624300643.db2.gz SPYKTHQFMDIKGA-UHFFFAOYSA-N 0 1 280.331 2.573 20 30 CFEDMN C#CCN1CCC(c2c(OC)cc(OC)cc2OC)CC1 ZINC000917048334 624301276 /nfs/dbraw/zinc/30/12/76/624301276.db2.gz ZZWBGFAXHHCLCU-UHFFFAOYSA-N 0 1 289.375 2.525 20 30 CFEDMN C=CCN1CCC[C@@H](NC(=O)C2CCC=CCC2)[C@H]1C ZINC000994456888 624303173 /nfs/dbraw/zinc/30/31/73/624303173.db2.gz XEMQLBAXTVEHOA-GDBMZVCRSA-N 0 1 276.424 2.888 20 30 CFEDMN C=CCN(CC(=O)NCc1cccc(Cl)c1)C(C)C ZINC000917069508 624307028 /nfs/dbraw/zinc/30/70/28/624307028.db2.gz QKTCQADZFFITFP-UHFFFAOYSA-N 0 1 280.799 2.853 20 30 CFEDMN C=CCN(CC(=O)NCCc1ccc(Cl)cc1)C(C)C ZINC000917071015 624308099 /nfs/dbraw/zinc/30/80/99/624308099.db2.gz MGVKJVQDZQFDHX-UHFFFAOYSA-N 0 1 294.826 2.895 20 30 CFEDMN C#CCN1CCC[C@@H](NC(=O)c2cccc(C3CC3)c2)[C@@H]1C ZINC000994484408 624312516 /nfs/dbraw/zinc/31/25/16/624312516.db2.gz HVBLXYBQVAXYRU-KBXCAEBGSA-N 0 1 296.414 2.780 20 30 CFEDMN C=CCN(CC(=O)Nc1ccc(OC)cc1)C(C)C ZINC000917166754 624320463 /nfs/dbraw/zinc/32/04/63/624320463.db2.gz FAFOGZIJAIXQJU-UHFFFAOYSA-N 0 1 262.353 2.530 20 30 CFEDMN O=[N+]([O-])c1ccc(C=NN=c2[nH]cccc2Cl)o1 ZINC000917549302 624358696 /nfs/dbraw/zinc/35/86/96/624358696.db2.gz LDITYSOAHDCJTA-UHFFFAOYSA-N 0 1 266.644 2.682 20 30 CFEDMN CC(=NNc1ncnc2nc[nH]c21)c1cccc(Cl)c1 ZINC000917554669 624358883 /nfs/dbraw/zinc/35/88/83/624358883.db2.gz CLGOVWUIDOYNKU-UHFFFAOYSA-N 0 1 286.726 2.842 20 30 CFEDMN C#CC[C@@H]1CCCN(Cc2cn3cccc(C)c3n2)C1 ZINC000829774832 624530777 /nfs/dbraw/zinc/53/07/77/624530777.db2.gz URNHSZVDFDQQHN-OAHLLOKOSA-N 0 1 267.376 2.878 20 30 CFEDMN C#CC[C@@H]1CCCN([C@@H](C)c2nc(-c3cccnc3)no2)C1 ZINC000829778558 624532740 /nfs/dbraw/zinc/53/27/40/624532740.db2.gz DWCVDDTXMPTLPI-UONOGXRCSA-N 0 1 296.374 2.928 20 30 CFEDMN C#CC[C@@H]1CCCN(Cc2nc(-c3ccoc3)no2)C1 ZINC000829785160 624536385 /nfs/dbraw/zinc/53/63/85/624536385.db2.gz RHYGLGKEXQHRSR-GFCCVEGCSA-N 0 1 271.320 2.565 20 30 CFEDMN C#CC[C@H]1CCCN(Cc2cn(C)nc2C(F)F)C1 ZINC000829810331 624549648 /nfs/dbraw/zinc/54/96/48/624549648.db2.gz OCESRPWUUNWTEI-NSHDSACASA-N 0 1 267.323 2.593 20 30 CFEDMN C#CC[C@H]1CCCN([C@@H](C)C(=O)c2c[nH]c3ncccc23)C1 ZINC000829811200 624550528 /nfs/dbraw/zinc/55/05/28/624550528.db2.gz ZLHWNMDNJVLXRS-KBPBESRZSA-N 0 1 295.386 2.869 20 30 CFEDMN C#CC1CCN([C@H](C)C(=O)N2c3ccccc3C[C@@H]2C)CC1 ZINC000830311864 624706511 /nfs/dbraw/zinc/70/65/11/624706511.db2.gz XYPZBWWZUITYEP-LSDHHAIUSA-N 0 1 296.414 2.698 20 30 CFEDMN C#CC1CCN(CC(=O)N[C@H](c2ccccc2)C2CC2)CC1 ZINC000830338042 624713323 /nfs/dbraw/zinc/71/33/23/624713323.db2.gz OYVFNWAOFCIXOY-LJQANCHMSA-N 0 1 296.414 2.599 20 30 CFEDMN COc1cc(C)cc2c1OCCC2=NNc1ccccn1 ZINC000920365401 624714768 /nfs/dbraw/zinc/71/47/68/624714768.db2.gz VUQLAIHDESZGPV-UHFFFAOYSA-N 0 1 283.331 2.997 20 30 CFEDMN Cc1ccc(-c2ccc(C=NNC(=N)N)s2)cc1 ZINC000920479911 624731920 /nfs/dbraw/zinc/73/19/20/624731920.db2.gz WHBLQVGRKAICIL-UHFFFAOYSA-N 0 1 258.350 2.540 20 30 CFEDMN CN(Cc1cc(Cl)ccc1OCC#N)CC(C)(C)CO ZINC000830696566 624817408 /nfs/dbraw/zinc/81/74/08/624817408.db2.gz HEUCLEJRZFQIQM-UHFFFAOYSA-N 0 1 296.798 2.693 20 30 CFEDMN Clc1cccc2c1CCC2=NNc1ncnc2nc[nH]c21 ZINC000921258054 624831961 /nfs/dbraw/zinc/83/19/61/624831961.db2.gz HTSJQTVGOOEHTB-UHFFFAOYSA-N 0 1 298.737 2.769 20 30 CFEDMN Cc1cc(C#N)cc(C)c1CNCc1ccccn1 ZINC000921472881 624903807 /nfs/dbraw/zinc/90/38/07/624903807.db2.gz VRGGSJFNWIQLIR-UHFFFAOYSA-N 0 1 251.333 2.860 20 30 CFEDMN COc1ccc(CNCc2csc(C#N)c2)cc1OC ZINC000921473721 624905094 /nfs/dbraw/zinc/90/50/94/624905094.db2.gz YVQRKNLFNKOGKN-UHFFFAOYSA-N 0 1 288.372 2.927 20 30 CFEDMN C#C[C@H]1CCCC[C@H]1OC(=O)c1ccc2cncn2c1 ZINC000851538231 634419637 /nfs/dbraw/zinc/41/96/37/634419637.db2.gz VOLYODXPLNRNGJ-SWLSCSKDSA-N 0 1 268.316 2.683 20 30 CFEDMN CCCCCNC(=O)C(C#N)C(=O)CCC1CCC1 ZINC000175096728 624926349 /nfs/dbraw/zinc/92/63/49/624926349.db2.gz XLEZGOPGWZKTCG-CYBMUJFWSA-N 0 1 264.369 2.582 20 30 CFEDMN N#CC(C(=O)CCC1CCC1)C(=O)Nc1ccccc1 ZINC000175107429 624927484 /nfs/dbraw/zinc/92/74/84/624927484.db2.gz SNNXXIPIJPVPTB-CQSZACIVSA-N 0 1 270.332 2.914 20 30 CFEDMN C=C1CCC(CNC(=O)[C@H]2c3cn[nH]c3CC[C@H]2C)CC1 ZINC000830980885 624945757 /nfs/dbraw/zinc/94/57/57/624945757.db2.gz ZROZJCUATMXZGO-MLGOLLRUSA-N 0 1 287.407 2.938 20 30 CFEDMN CC(C)(C)OC(=O)N1CC[C@H](NCCC#N)C12CCCC2 ZINC000831029476 624954345 /nfs/dbraw/zinc/95/43/45/624954345.db2.gz ZGRQOGRVUWVJET-ZDUSSCGKSA-N 0 1 293.411 2.812 20 30 CFEDMN COC(=O)C1(C#N)CCN([C@@H](C)c2ccccc2C)CC1 ZINC000831695494 625098506 /nfs/dbraw/zinc/09/85/06/625098506.db2.gz RVEYYBMSXBKIPW-AWEZNQCLSA-N 0 1 286.375 2.835 20 30 CFEDMN C[C@@H]1CN(C(=O)C(C)(C)C)C[C@H]1NCc1ccccc1C#N ZINC000939584814 625166956 /nfs/dbraw/zinc/16/69/56/625166956.db2.gz HOEXBKJVTQGKCR-CZUORRHYSA-N 0 1 299.418 2.541 20 30 CFEDMN C=C(Cl)CN[C@H]1CN(C(=O)C2CC3(CC3)C2)CC1(C)C ZINC000996265345 625890905 /nfs/dbraw/zinc/89/09/05/625890905.db2.gz BISDKJLAYZDJNI-ZDUSSCGKSA-N 0 1 296.842 2.756 20 30 CFEDMN C=C(Cl)CN[C@H]1CN(C(=O)c2c[nH]cc2C)CC1(C)C ZINC000996602509 625909502 /nfs/dbraw/zinc/90/95/02/625909502.db2.gz KFNMKZFHDIDEGZ-ZDUSSCGKSA-N 0 1 295.814 2.516 20 30 CFEDMN C#Cc1cccc(CN[C@H](C)c2cn(C)nc2C)c1 ZINC000834904160 625917189 /nfs/dbraw/zinc/91/71/89/625917189.db2.gz VWBUGAMYKZQZDG-GFCCVEGCSA-N 0 1 253.349 2.561 20 30 CFEDMN C[C@@H]1CC(=NNc2ccc(Cl)nc2)c2nccn21 ZINC000834960343 625933551 /nfs/dbraw/zinc/93/35/51/625933551.db2.gz MWVFELLGFANFMV-MRVPVSSYSA-N 0 1 261.716 2.712 20 30 CFEDMN C#C[C@H](C)N(C)Cc1cc(=O)oc2cc(C)ccc12 ZINC000769978452 625934996 /nfs/dbraw/zinc/93/49/96/625934996.db2.gz YGSZBJYAUCACQE-LBPRGKRZSA-N 0 1 255.317 2.555 20 30 CFEDMN CC1(C)OCC[C@H]1NN=Cc1cccc(Cl)c1O ZINC000835017229 625963206 /nfs/dbraw/zinc/96/32/06/625963206.db2.gz LJXVPXGJMKZDJT-LLVKDONJSA-N 0 1 268.744 2.537 20 30 CFEDMN CC1(C)OCC[C@@H]1NN=C1CC[C@H]2CNc3cccc1c32 ZINC000835020717 625966243 /nfs/dbraw/zinc/96/62/43/625966243.db2.gz JZHXSNOOEUJIAQ-NHYWBVRUSA-N 0 1 285.391 2.851 20 30 CFEDMN N#Cc1ccc(F)c(NC(=O)N[C@H]2CCCc3cn[nH]c32)c1 ZINC000888362282 626004161 /nfs/dbraw/zinc/00/41/61/626004161.db2.gz UDSAPLUXTICIKD-LBPRGKRZSA-N 0 1 299.309 2.620 20 30 CFEDMN C=C(Cl)CN[C@H]1CCCN(C(=O)c2ccc(F)cc2)C1 ZINC000998375155 626047287 /nfs/dbraw/zinc/04/72/87/626047287.db2.gz FCIYOZGMFLFNHS-AWEZNQCLSA-N 0 1 296.773 2.772 20 30 CFEDMN C=C(Cl)CN[C@H]1CCCN(C(=O)c2ccccc2)C1 ZINC000998425334 626049794 /nfs/dbraw/zinc/04/97/94/626049794.db2.gz YRAYNQNJZVHEEF-AWEZNQCLSA-N 0 1 278.783 2.633 20 30 CFEDMN CC[C@@H](C)C(=O)N1CCC[C@@H](NCc2ccccc2C#N)C1 ZINC000998587251 626057651 /nfs/dbraw/zinc/05/76/51/626057651.db2.gz JQEURACYSDIXFR-RHSMWYFYSA-N 0 1 299.418 2.685 20 30 CFEDMN C=C[C@](C)(CC)C(=O)N1CCC[C@H](NCC(=C)Cl)C1 ZINC001000087637 626086769 /nfs/dbraw/zinc/08/67/69/626086769.db2.gz IMOGLZGJEKGNRV-DZGCQCFKSA-N 0 1 284.831 2.922 20 30 CFEDMN C=C(Cl)CN[C@@H]1CCCN(C(=O)C2(C)CC(=C)C2)C1 ZINC001000129126 626089348 /nfs/dbraw/zinc/08/93/48/626089348.db2.gz SORDNBIXBOWGAD-CYBMUJFWSA-N 0 1 282.815 2.676 20 30 CFEDMN C=C(Cl)CN[C@@H]1CCCN(C(=O)[C@]23C[C@H]2CCCC3)C1 ZINC001000127403 626089353 /nfs/dbraw/zinc/08/93/53/626089353.db2.gz GNMYBHQTABAXFA-IIAWOOMASA-N 0 1 296.842 2.900 20 30 CFEDMN N#CCOc1ccc(CNCc2cccc3c2OCC3)cc1 ZINC000921694299 626092106 /nfs/dbraw/zinc/09/21/06/626092106.db2.gz STDUAGQWZHKQBW-UHFFFAOYSA-N 0 1 294.354 2.814 20 30 CFEDMN C=C(Cl)CN[C@@H]1CCCN(C(=O)[C@H](C)c2ccco2)C1 ZINC001000177412 626092864 /nfs/dbraw/zinc/09/28/64/626092864.db2.gz JIOVJGKIMUSZHU-CHWSQXEVSA-N 0 1 296.798 2.716 20 30 CFEDMN C[C@H](O)c1ncc(CN=Nc2ccccc2[N+](=O)[O-])s1 ZINC000772990989 626094999 /nfs/dbraw/zinc/09/49/99/626094999.db2.gz QNVHWNRCCMLNPF-QMMMGPOBSA-N 0 1 292.320 2.551 20 30 CFEDMN COC(=O)c1ccc(CNCc2c(C)cc(C#N)cc2C)o1 ZINC000921743970 626104314 /nfs/dbraw/zinc/10/43/14/626104314.db2.gz PWBBBBJJBXCCRF-UHFFFAOYSA-N 0 1 298.342 2.845 20 30 CFEDMN C=C(Br)C[N@H+](CC1CC1)[C@](C)(CC)C(=O)[O-] ZINC000851707082 634479092 /nfs/dbraw/zinc/47/90/92/634479092.db2.gz RRNXVKPEMYFMEW-GFCCVEGCSA-N 0 1 290.201 2.860 20 30 CFEDMN C=CC[N@@H+]1CC=C(CNC(=O)[C@H]2CCC[C@H]2C(F)F)CC1 ZINC001000775319 626131587 /nfs/dbraw/zinc/13/15/87/626131587.db2.gz BQYWWGANUOPZPW-KGLIPLIRSA-N 0 1 298.377 2.602 20 30 CFEDMN C#CCN1CC=C(CNC(=O)[C@@H]2CCC[C@@H]2CCC)CC1 ZINC001000865367 626133687 /nfs/dbraw/zinc/13/36/87/626133687.db2.gz BGMCJCIKHFKNJJ-DLBZAZTESA-N 0 1 288.435 2.584 20 30 CFEDMN C#CCN1CC=C(CNC(=O)c2ccccc2CCC)CC1 ZINC001000934540 626136110 /nfs/dbraw/zinc/13/61/10/626136110.db2.gz HOBFPSPLXXXUQP-UHFFFAOYSA-N 0 1 296.414 2.634 20 30 CFEDMN C=C(Cl)CN[C@@H]1CCCN(C(=O)C[C@@H](C)C2CC2)C1 ZINC001001017822 626139170 /nfs/dbraw/zinc/13/91/70/626139170.db2.gz YRSCJFFOTBCZNY-BXUZGUMPSA-N 0 1 284.831 2.756 20 30 CFEDMN CC#CCN1CC=C(CNC(=O)c2cc[nH]c2C(C)C)CC1 ZINC001001070745 626142757 /nfs/dbraw/zinc/14/27/57/626142757.db2.gz ULUUMUXXCLZZOG-UHFFFAOYSA-N 0 1 299.418 2.523 20 30 CFEDMN C#CCN1CC=C(CNC(=O)[C@@H]2CCCC[C@H]2CC)CC1 ZINC001001324903 626154802 /nfs/dbraw/zinc/15/48/02/626154802.db2.gz ISTJPYLZCZJDGA-IAGOWNOFSA-N 0 1 288.435 2.584 20 30 CFEDMN C=C1CCC(C(=O)NCC2CCN(CCF)CC2)CC1 ZINC001001796187 626163888 /nfs/dbraw/zinc/16/38/88/626163888.db2.gz DHIKZJBYSDQPMH-UHFFFAOYSA-N 0 1 282.403 2.531 20 30 CFEDMN C=CCN1CC[C@@H](NC(=O)c2cc3ccccc3n2CC)C1 ZINC001016330287 626191122 /nfs/dbraw/zinc/19/11/22/626191122.db2.gz FWADNQRZGQRKQE-OAHLLOKOSA-N 0 1 297.402 2.651 20 30 CFEDMN C=CCN(CC=C)C[C@](C)(O)C(F)(F)C(F)(F)F ZINC000929259542 626193365 /nfs/dbraw/zinc/19/33/65/626193365.db2.gz GIKQCYZCBSNKJI-VIFPVBQESA-N 0 1 273.245 2.609 20 30 CFEDMN Cn1nc2c(c1CN[C@@H]1CCc3cc(C#N)ccc31)CCC2 ZINC000922074186 626204010 /nfs/dbraw/zinc/20/40/10/626204010.db2.gz YLILPABTLWPMQQ-MRXNPFEDSA-N 0 1 292.386 2.558 20 30 CFEDMN C#CC[C@H](CO)NCc1ccc(Cl)c(C)c1Cl ZINC000922141038 626216693 /nfs/dbraw/zinc/21/66/93/626216693.db2.gz OUEVOKUQUZQNGS-LLVKDONJSA-N 0 1 272.175 2.776 20 30 CFEDMN CC#CCN1CCC(NC(=O)[C@H]2CCC[C@@H]2CCC)CC1 ZINC001003206902 626223865 /nfs/dbraw/zinc/22/38/65/626223865.db2.gz VBHRCFATEUAQCE-RDJZCZTQSA-N 0 1 290.451 2.807 20 30 CFEDMN C#CCOc1ccc(CNCc2cccc3c2OCC3)cc1 ZINC000922163562 626226617 /nfs/dbraw/zinc/22/66/17/626226617.db2.gz OOZNYHAUCGNVTI-UHFFFAOYSA-N 0 1 293.366 2.923 20 30 CFEDMN Cc1cc(C)c(CNCc2csc(C#N)c2)cn1 ZINC000922168296 626228938 /nfs/dbraw/zinc/22/89/38/626228938.db2.gz OJXOGKHJFKTUDR-UHFFFAOYSA-N 0 1 257.362 2.921 20 30 CFEDMN C[C@@H]1C[C@@H](NCc2cc(C#N)ccc2Br)CO1 ZINC000922216433 626242290 /nfs/dbraw/zinc/24/22/90/626242290.db2.gz WXWGFWCJIKSPIG-BXKDBHETSA-N 0 1 295.180 2.588 20 30 CFEDMN N#Cc1cc(CN[C@H]2CCc3ccccc3NC2=O)cs1 ZINC000922225703 626245451 /nfs/dbraw/zinc/24/54/51/626245451.db2.gz TYRGCVYNWJOAHC-HNNXBMFYSA-N 0 1 297.383 2.663 20 30 CFEDMN CC#CCN1CCC(NC(=O)c2c(C)cccc2C)CC1 ZINC001003686647 626247908 /nfs/dbraw/zinc/24/79/08/626247908.db2.gz ZKFMPABMKWFRNA-UHFFFAOYSA-N 0 1 284.403 2.521 20 30 CFEDMN C[C@@H](O)[C@H](NCc1csc(C#N)c1)c1ccccc1 ZINC000922268430 626256404 /nfs/dbraw/zinc/25/64/04/626256404.db2.gz SCJZLCKOZGARPE-ABAIWWIYSA-N 0 1 272.373 2.831 20 30 CFEDMN CC(C)[C@@H](C(=O)OCC1CCC(C#N)CC1)N1CCCC1 ZINC000922476883 626295337 /nfs/dbraw/zinc/29/53/37/626295337.db2.gz NPOMWYDXTPSFSO-GPANFISMSA-N 0 1 292.423 2.980 20 30 CFEDMN C#CCN1CCC(NC(=O)N[C@H](C)CCC=C(C)C)CC1 ZINC000922687088 626341853 /nfs/dbraw/zinc/34/18/53/626341853.db2.gz NLWGDPGTHZGBNO-OAHLLOKOSA-N 0 1 291.439 2.518 20 30 CFEDMN Cc1csc(C(C#N)C(=O)C=Cc2ccc[nH]2)n1 ZINC000788082331 626420147 /nfs/dbraw/zinc/42/01/47/626420147.db2.gz XKSPTLSJYDWXHP-ZWNMCFTASA-N 0 1 257.318 2.669 20 30 CFEDMN CCOC(=O)CC(C)(C)CN(CCC#N)CC(C)C ZINC000838783524 626506463 /nfs/dbraw/zinc/50/64/63/626506463.db2.gz KUUJYGSEYSMBOF-UHFFFAOYSA-N 0 1 268.401 2.837 20 30 CFEDMN CC(C)(C)C1CC(C(=O)C(C#N)C(=O)Nc2ccccn2)C1 ZINC000838789986 626506853 /nfs/dbraw/zinc/50/68/53/626506853.db2.gz AZPFNXCDZBJLEB-BPCQOVAHSA-N 0 1 299.374 2.801 20 30 CFEDMN CCCCCCNC(=O)C(C#N)C(=O)[C@H](C)C1CCC1 ZINC000838788795 626506915 /nfs/dbraw/zinc/50/69/15/626506915.db2.gz VYRJZNMQLUWLAU-OCCSQVGLSA-N 0 1 278.396 2.828 20 30 CFEDMN C#CCC[C@H](C)OC(=O)[C@H](C(C)C)N1CCCCC1 ZINC000839043868 626523586 /nfs/dbraw/zinc/52/35/86/626523586.db2.gz VENBQYASFGURJG-GJZGRUSLSA-N 0 1 265.397 2.842 20 30 CFEDMN CC[C@@H](C(=O)O[C@@H]1CCCC[C@H]1C#N)N(CC)CC ZINC000839084325 626523966 /nfs/dbraw/zinc/52/39/66/626523966.db2.gz IRCLVNOUXYFQRJ-MELADBBJSA-N 0 1 266.385 2.732 20 30 CFEDMN CC(=NNc1cc(C)ccn1)c1ccc(O)cc1O ZINC000757465609 626552825 /nfs/dbraw/zinc/55/28/25/626552825.db2.gz SPZMLBZBRVNFPY-UHFFFAOYSA-N 0 1 257.293 2.637 20 30 CFEDMN Cn1nncc1/C=C\C(=O)c1ccc2ccccc2c1O ZINC000757471381 626553108 /nfs/dbraw/zinc/55/31/08/626553108.db2.gz CVZOZXMNHAZQQX-CLFYSBASSA-N 0 1 279.299 2.570 20 30 CFEDMN C[N@H+]1CCCC(N=Nc2ccc(Cl)c(C(=O)[O-])c2)CC1 ZINC000758093386 626576293 /nfs/dbraw/zinc/57/62/93/626576293.db2.gz LZNNWXSGUHLDQW-UHFFFAOYSA-N 0 1 295.770 2.922 20 30 CFEDMN C#CCNC(=S)N1CCC[C@@H]1c1nc2ccc(C)cc2[nH]1 ZINC000758213765 626582893 /nfs/dbraw/zinc/58/28/93/626582893.db2.gz CLHSJJBAOFQQEE-CQSZACIVSA-N 0 1 298.415 2.516 20 30 CFEDMN Cc1ccn(CN(C)C[C@@H](C)c2ccccc2)c(=O)c1C#N ZINC000758215450 626583128 /nfs/dbraw/zinc/58/31/28/626583128.db2.gz JSWUHGYDCROJRA-OAHLLOKOSA-N 0 1 295.386 2.721 20 30 CFEDMN C[C@@H]1C[C@H](c2ccccc2)CN1Cn1cccc(C#N)c1=O ZINC000758221139 626583533 /nfs/dbraw/zinc/58/35/33/626583533.db2.gz FHCJQZHPAARGHU-PBHICJAKSA-N 0 1 293.370 2.555 20 30 CFEDMN CC(C)C[C@H]1CCCCN1Cn1cccc(C#N)c1=O ZINC000758235899 626584286 /nfs/dbraw/zinc/58/42/86/626584286.db2.gz LGWWRJRPOAXJIV-OAHLLOKOSA-N 0 1 273.380 2.578 20 30 CFEDMN Cc1cc(N=NCc2cnc(C(C)C)s2)ncn1 ZINC000758370338 626590224 /nfs/dbraw/zinc/59/02/24/626590224.db2.gz NKEOAFCEPGQXLB-UHFFFAOYSA-N 0 1 261.354 2.811 20 30 CFEDMN FC(F)CON=Cc1cc(-c2ccccc2)[nH]n1 ZINC000758904967 626616716 /nfs/dbraw/zinc/61/67/16/626616716.db2.gz XVNDWSIWDDSUTR-UHFFFAOYSA-N 0 1 251.236 2.692 20 30 CFEDMN COc1ccccc1CON=C(N)c1ccc(N(C)C)cc1 ZINC000759636251 626678473 /nfs/dbraw/zinc/67/84/73/626678473.db2.gz GNGITFZCFYUIKQ-UHFFFAOYSA-N 0 1 299.374 2.598 20 30 CFEDMN CO[C@](C)(C(=O)Nc1cc(C#N)ccc1O)c1ccccc1 ZINC000759713856 626686656 /nfs/dbraw/zinc/68/66/56/626686656.db2.gz SPGBRETWTPCZND-KRWDZBQOSA-N 0 1 296.326 2.764 20 30 CFEDMN N#Cc1ccc(O)c(NC(=O)C2(C(F)(F)F)CC2)c1 ZINC000759721045 626686804 /nfs/dbraw/zinc/68/68/04/626686804.db2.gz ZADFFCXETZAQDU-UHFFFAOYSA-N 0 1 270.210 2.545 20 30 CFEDMN C#CCCCCCC(=O)Nc1nc(C2CCC2)n[nH]1 ZINC000760046778 626711774 /nfs/dbraw/zinc/71/17/74/626711774.db2.gz NYOOGIRZBOGNFB-UHFFFAOYSA-N 0 1 260.341 2.594 20 30 CFEDMN C#CCCCCCC(=O)Nc1n[nH]c(C2CCC2)n1 ZINC000760046778 626711778 /nfs/dbraw/zinc/71/17/78/626711778.db2.gz NYOOGIRZBOGNFB-UHFFFAOYSA-N 0 1 260.341 2.594 20 30 CFEDMN C#CCOCCN1CCC[C@H]1c1ccc(F)c(F)c1 ZINC000851769659 634517996 /nfs/dbraw/zinc/51/79/96/634517996.db2.gz KLVTYWQYHLUWHM-HNNXBMFYSA-N 0 1 265.303 2.752 20 30 CFEDMN N#CC(C(=O)C=CSCc1ccco1)c1ccncn1 ZINC000760340888 626736692 /nfs/dbraw/zinc/73/66/92/626736692.db2.gz OXMXYUJYTBMMPH-KMSCOEIWSA-N 0 1 285.328 2.693 20 30 CFEDMN N#C[C@@H](C(=O)C12CC3CC(CC(C3)C1)C2)c1ccncn1 ZINC000760344151 626737253 /nfs/dbraw/zinc/73/72/53/626737253.db2.gz GSYMVGFYFYSURC-DLUQRMLASA-N 0 1 281.359 2.869 20 30 CFEDMN N#C[C@H](C(=O)[C@@H]1C[C@H]1c1ccc(F)cc1)c1ccncn1 ZINC000760353552 626738467 /nfs/dbraw/zinc/73/84/67/626738467.db2.gz QHRJGORKAQKCRU-MJBXVCDLSA-N 0 1 281.290 2.596 20 30 CFEDMN N#CC(C(=O)CCc1c[nH]c2ccccc12)c1ccncn1 ZINC000760353269 626738719 /nfs/dbraw/zinc/73/87/19/626738719.db2.gz PBZMSOJQDLSDAW-AWEZNQCLSA-N 0 1 290.326 2.767 20 30 CFEDMN N#C[C@H](C(=O)[C@@H]1C[C@@H]1c1c(F)cccc1F)c1ccncn1 ZINC000760355735 626739118 /nfs/dbraw/zinc/73/91/18/626739118.db2.gz ZVZSRPFNIBZVHD-AXFHLTTASA-N 0 1 299.280 2.735 20 30 CFEDMN N#CC(=C(O)C=CC1CCCCC1)c1ccncn1 ZINC000760356089 626739405 /nfs/dbraw/zinc/73/94/05/626739405.db2.gz FHWBVPMQZRCNHS-FMFIFOJESA-N 0 1 255.321 2.789 20 30 CFEDMN C#CCCN(CCOC)Cc1ccccc1Cl ZINC000760821181 626774752 /nfs/dbraw/zinc/77/47/52/626774752.db2.gz SRSMKDNINPSHBX-UHFFFAOYSA-N 0 1 251.757 2.812 20 30 CFEDMN C#CCC[N@@H+](CC)Cc1cc(Br)ccc1[O-] ZINC000760841956 626777292 /nfs/dbraw/zinc/77/72/92/626777292.db2.gz SQEZZIZNNMAWHB-UHFFFAOYSA-N 0 1 282.181 3.000 20 30 CFEDMN C#CCC[N@H+](CC)Cc1cc(Br)ccc1[O-] ZINC000760841956 626777294 /nfs/dbraw/zinc/77/72/94/626777294.db2.gz SQEZZIZNNMAWHB-UHFFFAOYSA-N 0 1 282.181 3.000 20 30 CFEDMN C#CCCN(CC(N)=O)[C@H](C)c1ccc(CCC)cc1 ZINC000760851049 626777701 /nfs/dbraw/zinc/77/77/01/626777701.db2.gz LUBQQHNPGHUIKL-CQSZACIVSA-N 0 1 272.392 2.511 20 30 CFEDMN C=CCCCCCCNC(=O)CN1CCC(C)CC1 ZINC000805220660 626806656 /nfs/dbraw/zinc/80/66/56/626806656.db2.gz DFMSDVRKBDXJFA-UHFFFAOYSA-N 0 1 266.429 2.971 20 30 CFEDMN C#CCN(CC#C)CCCSCc1ccccc1 ZINC000761667034 626852736 /nfs/dbraw/zinc/85/27/36/626852736.db2.gz PTDDBMNLOVSRKX-UHFFFAOYSA-N 0 1 257.402 2.878 20 30 CFEDMN Cc1cc(N=NCc2ccc(F)c(C#N)c2Cl)ncn1 ZINC000761815127 626860513 /nfs/dbraw/zinc/86/05/13/626860513.db2.gz GECCZODOLJTAFN-UHFFFAOYSA-N 0 1 289.701 2.895 20 30 CFEDMN Cc1[nH]c2ccccc2c1C=NNc1cnn(C)c1 ZINC000761866351 626866806 /nfs/dbraw/zinc/86/68/06/626866806.db2.gz QYOXMXQQKNESKA-UHFFFAOYSA-N 0 1 253.309 2.656 20 30 CFEDMN Cn1c2ccccc2nc1C(C#N)C(=O)[C@H]1CCSC1 ZINC000762063422 626885533 /nfs/dbraw/zinc/88/55/33/626885533.db2.gz DJZSMYMLFNOXNE-QWRGUYRKSA-N 0 1 285.372 2.503 20 30 CFEDMN C#CCN(C[C@H](O)COc1cccc2ccccc21)C1CC1 ZINC000763958223 627026455 /nfs/dbraw/zinc/02/64/55/627026455.db2.gz SJZUVBKVEOCIKB-KRWDZBQOSA-N 0 1 295.382 2.677 20 30 CFEDMN C#CCN(CCOc1ccccc1Br)C1CC1 ZINC000763954994 627026526 /nfs/dbraw/zinc/02/65/26/627026526.db2.gz DWJBPAGLBQKAFH-UHFFFAOYSA-N 0 1 294.192 2.926 20 30 CFEDMN C#CCN1CCC[C@H]1COC(=O)[C@@H](CCC)C(C)C ZINC000764624484 627077783 /nfs/dbraw/zinc/07/77/83/627077783.db2.gz HIOGICFIYZLGKF-GJZGRUSLSA-N 0 1 265.397 2.700 20 30 CFEDMN COCc1ccc(C=NN=c2nc[nH]c3sccc32)o1 ZINC000764667132 627081734 /nfs/dbraw/zinc/08/17/34/627081734.db2.gz PQCHUUXLUURNOB-UHFFFAOYSA-N 0 1 288.332 2.877 20 30 CFEDMN Cc1ccc(C=NN=c2[nH]c3ccccc3[nH]2)cn1 ZINC000764894620 627105337 /nfs/dbraw/zinc/10/53/37/627105337.db2.gz CKMYJZBKQNFLGP-UHFFFAOYSA-N 0 1 251.293 2.712 20 30 CFEDMN C[C@H]1CC(=NC(=O)c2cccc3c4c([nH]c32)CCCC4)NO1 ZINC000765373726 627133113 /nfs/dbraw/zinc/13/31/13/627133113.db2.gz UIBFMEVHWABWNT-JTQLQIEISA-N 0 1 297.358 2.899 20 30 CFEDMN CC(=NNc1cccc(F)c1F)c1ccnn1C ZINC000766024917 627172209 /nfs/dbraw/zinc/17/22/09/627172209.db2.gz DJNIIFNKYNUBRX-UHFFFAOYSA-N 0 1 250.252 2.534 20 30 CFEDMN C#Cc1cccc(NC(=O)N2C[C@H](C)N(CC)C[C@H]2C)c1 ZINC000766328495 627195342 /nfs/dbraw/zinc/19/53/42/627195342.db2.gz YZMYDYDPCDPPHC-UONOGXRCSA-N 0 1 285.391 2.614 20 30 CFEDMN Cc1nn2c(nc(C)c2CNCc2ccc(C#N)cc2)s1 ZINC000766454414 627204274 /nfs/dbraw/zinc/20/42/74/627204274.db2.gz MFKDHMAOTJYEEH-UHFFFAOYSA-N 0 1 297.387 2.569 20 30 CFEDMN C#CCN1CCC(C(=O)OCc2ccc(C)c(F)c2)CC1 ZINC000766613054 627211226 /nfs/dbraw/zinc/21/12/26/627211226.db2.gz ASMVBZSWGJWBFO-UHFFFAOYSA-N 0 1 289.350 2.523 20 30 CFEDMN CC1CCC(N(C)Cn2cc3c(c(C#N)c2=O)CCC3)CC1 ZINC000766613503 627211445 /nfs/dbraw/zinc/21/14/45/627211445.db2.gz WZOSCIBOPMZBAZ-UHFFFAOYSA-N 0 1 299.418 2.677 20 30 CFEDMN C[C@H]1CCC[C@H](C)[N@@H+](Cn2cc3c(c(C#N)c2=O)CCC3)C1 ZINC000766636640 627212235 /nfs/dbraw/zinc/21/22/35/627212235.db2.gz IGRUDOUGIHUSBN-KBPBESRZSA-N 0 1 299.418 2.677 20 30 CFEDMN C[C@H]1CCC[C@H](C)N(Cn2cc3c(c(C#N)c2=O)CCC3)C1 ZINC000766636640 627212237 /nfs/dbraw/zinc/21/22/37/627212237.db2.gz IGRUDOUGIHUSBN-KBPBESRZSA-N 0 1 299.418 2.677 20 30 CFEDMN COc1ccc(C(=O)C(C#N)c2ccccn2)nc1Cl ZINC000766840958 627222234 /nfs/dbraw/zinc/22/22/34/627222234.db2.gz NRULALLIRFYSCD-VIFPVBQESA-N 0 1 287.706 2.629 20 30 CFEDMN C#CCCCN1CCCC[C@H]1C(=O)OC(C)(C)C ZINC000766938031 627227770 /nfs/dbraw/zinc/22/77/70/627227770.db2.gz PQVXBQHWJWDSOP-ZDUSSCGKSA-N 0 1 251.370 2.596 20 30 CFEDMN Cc1cc(Cl)ccc1C=NNC1=N[C@@H]2CCCC[C@H]2N1 ZINC000767386113 627247391 /nfs/dbraw/zinc/24/73/91/627247391.db2.gz BDKIFCAEMDDYNB-ZIAGYGMSSA-N 0 1 290.798 2.842 20 30 CFEDMN Cc1cc(NN=Cc2cc(-c3ccccc3)n[nH]2)nc(C)n1 ZINC000767772439 627283857 /nfs/dbraw/zinc/28/38/57/627283857.db2.gz RFKCMIJLWZOTIW-UHFFFAOYSA-N 0 1 292.346 2.930 20 30 CFEDMN CCOC(CN(CC)Cc1cccc(C#N)c1)OCC ZINC000767773914 627285015 /nfs/dbraw/zinc/28/50/15/627285015.db2.gz JHRFQFBOEMVXDP-UHFFFAOYSA-N 0 1 276.380 2.779 20 30 CFEDMN COc1ccc(N=NCc2cccc(C#N)c2)c([N+](=O)[O-])c1 ZINC000767801236 627286085 /nfs/dbraw/zinc/28/60/85/627286085.db2.gz IPYWGSVTCJYVIY-UHFFFAOYSA-N 0 1 296.286 2.921 20 30 CFEDMN Cc1ccc(NN=Cc2cc(Cl)cc(F)c2O)nn1 ZINC000768361803 627337444 /nfs/dbraw/zinc/33/74/44/627337444.db2.gz JPOKNYCKIHIGFS-UHFFFAOYSA-N 0 1 280.690 2.729 20 30 CFEDMN Cc1ccc(N=NCc2cc(Cl)cc(F)c2O)nn1 ZINC000768361803 627337446 /nfs/dbraw/zinc/33/74/46/627337446.db2.gz JPOKNYCKIHIGFS-UHFFFAOYSA-N 0 1 280.690 2.729 20 30 CFEDMN N#Cc1csc(C=NNc2cc(C#N)cc(Cl)n2)c1 ZINC000768374585 627338116 /nfs/dbraw/zinc/33/81/16/627338116.db2.gz HKYSWAKBYWCQTC-UHFFFAOYSA-N 0 1 287.735 2.986 20 30 CFEDMN CCCCCCCC(=O)N1C[C@H](C)N(C)C[C@H]1C ZINC000768841063 627377971 /nfs/dbraw/zinc/37/79/71/627377971.db2.gz GHTLMKUTDWGUSS-UONOGXRCSA-N 0 1 254.418 2.898 20 30 CFEDMN N#CC1CCN(Cc2nccc3ccccc32)CC1 ZINC000769192164 627411654 /nfs/dbraw/zinc/41/16/54/627411654.db2.gz FBYNKSSLDAVWOM-UHFFFAOYSA-N 0 1 251.333 2.970 20 30 CFEDMN CN(Cc1cc(C#N)cs1)C[C@H](O)c1ccc(F)cc1 ZINC000769335063 627425996 /nfs/dbraw/zinc/42/59/96/627425996.db2.gz SWIIXCCXKLUMIS-HNNXBMFYSA-N 0 1 290.363 2.924 20 30 CFEDMN C#CC[N@H+](Cc1n[nH]c2ccccc21)C1CCCC1 ZINC000769529626 627452045 /nfs/dbraw/zinc/45/20/45/627452045.db2.gz CZPYDIPCKCHWSM-UHFFFAOYSA-N 0 1 253.349 2.941 20 30 CFEDMN C#CC[N@@H+](Cc1n[nH]c2ccccc21)C1CCCC1 ZINC000769529626 627452048 /nfs/dbraw/zinc/45/20/48/627452048.db2.gz CZPYDIPCKCHWSM-UHFFFAOYSA-N 0 1 253.349 2.941 20 30 CFEDMN C#CCOc1ccc(CN(C)Cc2ccc[nH]2)cc1 ZINC000769541638 627454293 /nfs/dbraw/zinc/45/42/93/627454293.db2.gz DXVHUTXVAQZULG-UHFFFAOYSA-N 0 1 254.333 2.659 20 30 CFEDMN C#C[C@@H](C)N(C)Cc1cc(=O)oc2cc(O)c(CC)cc12 ZINC000769977500 627493833 /nfs/dbraw/zinc/49/38/33/627493833.db2.gz GSGIFRURXZIHRF-LLVKDONJSA-N 0 1 285.343 2.515 20 30 CFEDMN O=C(OCC#Cc1ccc(F)cc1)[C@H]1CCCc2[nH]ncc21 ZINC000771370691 627599228 /nfs/dbraw/zinc/59/92/28/627599228.db2.gz NWXNGVUCUCFDRA-AWEZNQCLSA-N 0 1 298.317 2.564 20 30 CFEDMN CCC(=NN[C@@H](C)CC#N)c1ccc(N(C)C)cc1 ZINC000771882067 627642177 /nfs/dbraw/zinc/64/21/77/627642177.db2.gz WJSVJYNKIGJLEY-LBPRGKRZSA-N 0 1 258.369 2.758 20 30 CFEDMN Cc1cccc2nc([C@H](C#N)C(=O)Cc3ccco3)[nH]c21 ZINC000772667300 627733194 /nfs/dbraw/zinc/73/31/94/627733194.db2.gz SBJFNSGWBVCEPC-GFCCVEGCSA-N 0 1 279.299 2.883 20 30 CFEDMN C=CCCC[C@H](C)OC(=O)c1ccc([N+](=O)[O-])[nH]1 ZINC000773876182 627864164 /nfs/dbraw/zinc/86/41/64/627864164.db2.gz DTBWQWZPAKZEOI-VIFPVBQESA-N 0 1 252.270 2.825 20 30 CFEDMN C[C@H]1CC(=NC(=O)c2ccccc2COC(C)(C)C)NO1 ZINC000774333561 627916330 /nfs/dbraw/zinc/91/63/30/627916330.db2.gz AJJVVGYLRSBNTG-NSHDSACASA-N 0 1 290.363 2.854 20 30 CFEDMN CCN(CC)c1ccc(C=NOC2CCOCC2)c(O)c1 ZINC000774439725 627926389 /nfs/dbraw/zinc/92/63/89/627926389.db2.gz XWAPIGUTDHMFBC-UHFFFAOYSA-N 0 1 292.379 2.768 20 30 CFEDMN CC[C@@H](C(=O)OCc1cccc(C#N)c1F)N(CC)CC ZINC000774958478 627981301 /nfs/dbraw/zinc/98/13/01/627981301.db2.gz DGDSMKPEAVZDTQ-AWEZNQCLSA-N 0 1 292.354 2.861 20 30 CFEDMN C#C[C@H](NCc1cccc(OCCC)c1)[C@@H]1CCCO1 ZINC000775339679 628012010 /nfs/dbraw/zinc/01/20/10/628012010.db2.gz CWSNFUWHMYPLJP-IRXDYDNUSA-N 0 1 273.376 2.746 20 30 CFEDMN C#C[C@@H](NCc1cccc(C(F)(F)F)c1)[C@@H]1CCCO1 ZINC000775343007 628012267 /nfs/dbraw/zinc/01/22/67/628012267.db2.gz UQBYMSIUXOLSMP-KGLIPLIRSA-N 0 1 283.293 2.976 20 30 CFEDMN C#C[C@H](NCc1ccc2c(c1)CC(C)(C)O2)[C@@H]1CCCO1 ZINC000775342300 628012579 /nfs/dbraw/zinc/01/25/79/628012579.db2.gz QFYSJMYCTXUUPH-RDJZCZTQSA-N 0 1 285.387 2.671 20 30 CFEDMN C#C[C@H](NCc1cccc(OC(C)C)c1)[C@H]1CCCO1 ZINC000775341636 628012870 /nfs/dbraw/zinc/01/28/70/628012870.db2.gz MMDHZOJZAIFHGD-DLBZAZTESA-N 0 1 273.376 2.744 20 30 CFEDMN C#C[C@H](NC/C=C/c1ccc(F)cc1)[C@H]1CCCO1 ZINC000775343862 628013420 /nfs/dbraw/zinc/01/34/20/628013420.db2.gz YXGMNOSXCWWLBD-KADIJHKTSA-N 0 1 259.324 2.609 20 30 CFEDMN C#C[C@H](NCc1cccc(OC(F)F)c1)[C@H]1CCCO1 ZINC000775343728 628013453 /nfs/dbraw/zinc/01/34/53/628013453.db2.gz XNJUNHJXBOZWKS-UONOGXRCSA-N 0 1 281.302 2.558 20 30 CFEDMN C#C[C@@H](NCc1ccc(SC)c(OC)c1)[C@H]1CCCO1 ZINC000775347491 628014009 /nfs/dbraw/zinc/01/40/09/628014009.db2.gz GZFCMJKMKKFJRH-ZIAGYGMSSA-N 0 1 291.416 2.688 20 30 CFEDMN C#CC[C@H](NCc1ccnc(OC)c1)c1ccccc1 ZINC000775400478 628021066 /nfs/dbraw/zinc/02/10/66/628021066.db2.gz JYZTWTVLXBNFGF-INIZCTEOSA-N 0 1 266.344 2.944 20 30 CFEDMN C#C[C@H](N[C@H](C)c1ccccc1N(C)C)[C@@H]1CCCO1 ZINC000775571954 628039617 /nfs/dbraw/zinc/03/96/17/628039617.db2.gz NEHQNVNAYBFTNG-KMFMINBZSA-N 0 1 272.392 2.584 20 30 CFEDMN C#C[C@H](N[C@H](C)c1sccc1OC)[C@H]1CCCO1 ZINC000775572269 628040905 /nfs/dbraw/zinc/04/09/05/628040905.db2.gz QLVKLXMDTDVOHR-GRYCIOLGSA-N 0 1 265.378 2.588 20 30 CFEDMN C#C[C@H](N[C@@H](C)c1ccc(Cl)nc1)[C@@H]1CCCO1 ZINC000775573653 628041688 /nfs/dbraw/zinc/04/16/88/628041688.db2.gz IMFBMPFPHJLKQZ-DRZSPHRISA-N 0 1 264.756 2.566 20 30 CFEDMN C#C[C@H](N[C@@H]1CCc2c1cc(F)cc2F)[C@H]1CCCO1 ZINC000775573534 628041703 /nfs/dbraw/zinc/04/17/03/628041703.db2.gz HQFUUVDOBUIMFF-ARFHVFGLSA-N 0 1 277.314 2.723 20 30 CFEDMN C#C[C@H](N[C@H]1CCCc2cc(F)ccc21)[C@H]1CCCO1 ZINC000775573639 628041722 /nfs/dbraw/zinc/04/17/22/628041722.db2.gz IKILKJOLJLPSMD-YESZJQIVSA-N 0 1 273.351 2.974 20 30 CFEDMN C#C[C@H](N[C@H]1CCSc2ccccc21)[C@@H]1CCCO1 ZINC000775573657 628041757 /nfs/dbraw/zinc/04/17/57/628041757.db2.gz IMQAHLJPAKOIOX-KKUMJFAQSA-N 0 1 273.401 2.994 20 30 CFEDMN C#C[C@H](N[C@@H](C)c1ccc(F)c(OC)c1)[C@H]1CCCO1 ZINC000775574189 628042067 /nfs/dbraw/zinc/04/20/67/628042067.db2.gz OHEIYCMKFRHVRQ-TUKIKUTGSA-N 0 1 277.339 2.666 20 30 CFEDMN C#C[C@H](N[C@H](C)c1ccc(OC)c(F)c1)[C@@H]1CCCO1 ZINC000775575106 628042554 /nfs/dbraw/zinc/04/25/54/628042554.db2.gz UYIRMXGTFDXAIA-WPGHFRTFSA-N 0 1 277.339 2.666 20 30 CFEDMN C=CCCC[C@@H](C)NC(=O)NCc1cc(CC)[nH]n1 ZINC000775746801 628062042 /nfs/dbraw/zinc/06/20/42/628062042.db2.gz PRZOLKIKMMFFID-LLVKDONJSA-N 0 1 264.373 2.516 20 30 CFEDMN C#C[C@@H](NCc1ccccc1C(C)(C)C#N)[C@H]1CCCO1 ZINC000775796132 628069772 /nfs/dbraw/zinc/06/97/72/628069772.db2.gz TTXMMKMARQYRIA-IAGOWNOFSA-N 0 1 282.387 2.758 20 30 CFEDMN CN(C)c1ccncc1C=[NH+][N-]c1nncc2ccccc21 ZINC000776183358 628112623 /nfs/dbraw/zinc/11/26/23/628112623.db2.gz LPHJQGFYRHOSDA-UHFFFAOYSA-N 0 1 292.346 2.537 20 30 CFEDMN COC(=O)c1ccccc1N=NC(C)c1ccccn1 ZINC000776189500 628114464 /nfs/dbraw/zinc/11/44/64/628114464.db2.gz KIRJSUXJIRVLQG-UHFFFAOYSA-N 0 1 269.304 2.704 20 30 CFEDMN CC(C)[C@H](C(=O)OCCC(C)(C)C#N)N1CCCCC1 ZINC000776388143 628141552 /nfs/dbraw/zinc/14/15/52/628141552.db2.gz WPBMDIUVBSGGQI-CQSZACIVSA-N 0 1 280.412 2.980 20 30 CFEDMN C[C@@H]1CC[C@@H](C(=O)C(C#N)C(=O)Nc2ccccc2)C1 ZINC000776515683 628155557 /nfs/dbraw/zinc/15/55/57/628155557.db2.gz IZBYRSVMZRONBT-BZPMIXESSA-N 0 1 270.332 2.770 20 30 CFEDMN CC(CN1CCCCCC1)=NN=C(C)c1cnccn1 ZINC000777439676 628226104 /nfs/dbraw/zinc/22/61/04/628226104.db2.gz YFXRFOJTFOIDCM-UHFFFAOYSA-N 0 1 273.384 2.538 20 30 CFEDMN C=CCN(C)Cc1cc(Cl)ccc1OCC#N ZINC000778162543 628282533 /nfs/dbraw/zinc/28/25/33/628282533.db2.gz USEYPURPILGRAV-UHFFFAOYSA-N 0 1 250.729 2.860 20 30 CFEDMN C#CCOc1cccc(Cl)c1CNC[C@@H](O)CCC ZINC000778170783 628282774 /nfs/dbraw/zinc/28/27/74/628282774.db2.gz YCVSOQOGPJEDTL-LBPRGKRZSA-N 0 1 281.783 2.603 20 30 CFEDMN C#CCOc1cccc(Cl)c1CN[C@H](C)C[C@@H](C)O ZINC000778176158 628284176 /nfs/dbraw/zinc/28/41/76/628284176.db2.gz AJDSBFUXGROZDY-VXGBXAGGSA-N 0 1 281.783 2.601 20 30 CFEDMN CCCCCCCCN1CC[C@H](OC)C[C@H]1C(=O)OC ZINC000778232188 628290687 /nfs/dbraw/zinc/29/06/87/628290687.db2.gz GJHLGADZTCWIJR-GJZGRUSLSA-N 0 1 285.428 2.999 20 30 CFEDMN C[C@@H](C(=O)OCC#Cc1ccccc1)N1CCCCCC1 ZINC000778609034 628319900 /nfs/dbraw/zinc/31/99/00/628319900.db2.gz HJGOMJNRCLCAKB-INIZCTEOSA-N 0 1 285.387 2.846 20 30 CFEDMN C/C(=C\c1ccc(C)cc1)C(=O)NC1(C#N)CCN(C)CC1 ZINC000778719163 628327495 /nfs/dbraw/zinc/32/74/95/628327495.db2.gz IEMXINUTVLIXKG-NTCAYCPXSA-N 0 1 297.402 2.503 20 30 CFEDMN C#C[C@](C)(CC)N[C@@H](C)C(=O)N1CCCc2ccccc21 ZINC000852098282 634652015 /nfs/dbraw/zinc/65/20/15/634652015.db2.gz IXTYXCSEHIPQOF-KBXCAEBGSA-N 0 1 284.403 2.746 20 30 CFEDMN CC(=CN=NC1=NC[C@@H](C)N1)Cc1ccc(Cl)cc1 ZINC000779794359 628407056 /nfs/dbraw/zinc/40/70/56/628407056.db2.gz HAJUMHPMQRTCGH-PYQJNRMTSA-N 0 1 276.771 2.666 20 30 CFEDMN C#C[C@@](C)(CC)NCC(=O)Nc1cccc(C)c1C ZINC000852100126 634654018 /nfs/dbraw/zinc/65/40/18/634654018.db2.gz UECGGQIAVCJHRM-INIZCTEOSA-N 0 1 258.365 2.633 20 30 CFEDMN C#C[C@@](C)(CC)N[C@@H](C)C(=O)Nc1ccc(C(C)=O)cc1 ZINC000852099974 634654453 /nfs/dbraw/zinc/65/44/53/634654453.db2.gz DWVSATSEBVTYGC-SJCJKPOMSA-N 0 1 286.375 2.608 20 30 CFEDMN CC(=NNc1nccn(C)c1=O)c1cc2ccccc2s1 ZINC000780231055 628441504 /nfs/dbraw/zinc/44/15/04/628441504.db2.gz ZFKPSCONAAPKPY-UHFFFAOYSA-N 0 1 298.371 2.831 20 30 CFEDMN CC(=NN=c1[nH]ccn(C)c1=O)c1cc2ccccc2s1 ZINC000780231055 628441507 /nfs/dbraw/zinc/44/15/07/628441507.db2.gz ZFKPSCONAAPKPY-UHFFFAOYSA-N 0 1 298.371 2.831 20 30 CFEDMN C#C[C@](C)(CC)N[C@H](C)C(=O)Nc1ccccc1C(C)=O ZINC000852102577 634656085 /nfs/dbraw/zinc/65/60/85/634656085.db2.gz ZPMMLBOLGSOCLV-SJKOYZFVSA-N 0 1 286.375 2.608 20 30 CFEDMN C#CCOc1ccc(C(C)=NNc2ccc(OC)cn2)cc1 ZINC000780267611 628448324 /nfs/dbraw/zinc/44/83/24/628448324.db2.gz MYYGRFHUARIJHA-UHFFFAOYSA-N 0 1 295.342 2.938 20 30 CFEDMN COc1ccc(N=NCc2ccc(O[C@@H](C)C#N)cc2)nc1 ZINC000780267145 628448373 /nfs/dbraw/zinc/44/83/73/628448373.db2.gz FYSASWCYUYGHHE-LBPRGKRZSA-N 0 1 296.330 2.827 20 30 CFEDMN COc1ccc(NN=C2CCc3c2cccc3OC)nc1 ZINC000780268879 628448808 /nfs/dbraw/zinc/44/88/08/628448808.db2.gz MERKVNPCQPCLMC-UHFFFAOYSA-N 0 1 283.331 2.861 20 30 CFEDMN CCOc1ccccc1CN=Nc1ccc(OC)cn1 ZINC000780270422 628448813 /nfs/dbraw/zinc/44/88/13/628448813.db2.gz IXNGXYOATILTKP-UHFFFAOYSA-N 0 1 271.320 2.935 20 30 CFEDMN COc1ccc(N=NC(C)c2sc(C)nc2C)nc1 ZINC000780271871 628449262 /nfs/dbraw/zinc/44/92/62/628449262.db2.gz YTXCZZDNHYRKKU-UHFFFAOYSA-N 0 1 276.365 3.000 20 30 CFEDMN CC1(C#N)CCN(C[C@@H](O)c2ccc(Cl)cc2)CC1 ZINC000780334251 628455906 /nfs/dbraw/zinc/45/59/06/628455906.db2.gz JUEUFRRJNCFBCA-CQSZACIVSA-N 0 1 278.783 2.999 20 30 CFEDMN C#C[C@@](C)(CC)N[C@@H]1CCN(c2ccc(Cl)cc2)C1=O ZINC000852102675 634656798 /nfs/dbraw/zinc/65/67/98/634656798.db2.gz NEZPJLRPAQDIDF-ZBFHGGJFSA-N 0 1 290.794 2.837 20 30 CFEDMN Cc1ccc(-c2cc(C(=O)N=C3C[C@H](C)ON3)[nH]n2)cc1C ZINC000780975835 628509988 /nfs/dbraw/zinc/50/99/88/628509988.db2.gz RJLZGDXIDSVXEC-NSHDSACASA-N 0 1 298.346 2.546 20 30 CFEDMN COCCn1c(C)cc(CN=Nc2ccnc(F)c2)c1C ZINC000781132123 628524803 /nfs/dbraw/zinc/52/48/03/628524803.db2.gz IWKCYUULLNVXQB-UHFFFAOYSA-N 0 1 290.342 2.731 20 30 CFEDMN C[C@@H](NCC[S@@](=O)C(C)(C)C)c1ccc(C#N)cc1F ZINC000781420482 628547398 /nfs/dbraw/zinc/54/73/98/628547398.db2.gz AQVMGFDHOHKHEP-BIBXISHDSA-N 0 1 296.411 2.895 20 30 CFEDMN C#CCOCCN(C)[C@H](C)c1nc2ccc(Cl)cc2[nH]1 ZINC000852126396 634665792 /nfs/dbraw/zinc/66/57/92/634665792.db2.gz ATMDXEVFKJZDKH-LLVKDONJSA-N 0 1 291.782 2.859 20 30 CFEDMN CC1(C)CC[C@@H](C(=O)C(C#N)C(=O)NC2CCCCC2)C1 ZINC000781762790 628578234 /nfs/dbraw/zinc/57/82/34/628578234.db2.gz TUQKVHFIZUCVQG-TZMCWYRMSA-N 0 1 290.407 2.970 20 30 CFEDMN Cc1nc(F)ccc1C=NN=c1[nH]c2ccccc2n1C ZINC000782203622 628614517 /nfs/dbraw/zinc/61/45/17/628614517.db2.gz RYLXKKBADBDMJE-UHFFFAOYSA-N 0 1 283.310 2.862 20 30 CFEDMN Cc1cc(N=NCc2cnc(-c3ccco3)s2)ncn1 ZINC000782231612 628617823 /nfs/dbraw/zinc/61/78/23/628617823.db2.gz XCJFLHDWPVKGNB-UHFFFAOYSA-N 0 1 285.332 2.948 20 30 CFEDMN COc1ccc(NN=Cc2[nH]cnc2C)cc1Cl ZINC000782231451 628617871 /nfs/dbraw/zinc/61/78/71/628617871.db2.gz LETXSHNUAZEBII-UHFFFAOYSA-N 0 1 264.716 2.826 20 30 CFEDMN COc1cccc(N=NCc2scnc2C2CC2)n1 ZINC000782268352 628621925 /nfs/dbraw/zinc/62/19/25/628621925.db2.gz LFPCAAZVGRKKAB-UHFFFAOYSA-N 0 1 274.349 2.870 20 30 CFEDMN N#C[C@@H](OC(=O)CCCCc1cn[nH]n1)C1CCCCC1 ZINC000782314354 628627653 /nfs/dbraw/zinc/62/76/53/628627653.db2.gz LMLKCBAMTDULBD-CQSZACIVSA-N 0 1 290.367 2.533 20 30 CFEDMN C=C(Cl)CNCc1ccc(OCOCC)cc1 ZINC000782959661 628665913 /nfs/dbraw/zinc/66/59/13/628665913.db2.gz KMEWXHYIHZGEGY-UHFFFAOYSA-N 0 1 255.745 2.902 20 30 CFEDMN C[C@@H]1Cc2ccccc2[C@@H]1NCc1ccc(C#N)cn1 ZINC000783300486 628699020 /nfs/dbraw/zinc/69/90/20/628699020.db2.gz NGIMMCGRMSRHCS-SJKOYZFVSA-N 0 1 263.344 2.976 20 30 CFEDMN Fc1cc(Cl)ccc1C=NNCCN1CCCCC1 ZINC000783513542 628715212 /nfs/dbraw/zinc/71/52/12/628715212.db2.gz DZBVNNBWWYJEJI-UHFFFAOYSA-N 0 1 283.778 2.889 20 30 CFEDMN C#CCOc1ccc(CN2C[C@H](C)O[C@H](C)[C@@H]2C)cc1 ZINC000783737564 628739565 /nfs/dbraw/zinc/73/95/65/628739565.db2.gz NOKWRTWUKJYOBM-SOUVJXGZSA-N 0 1 273.376 2.696 20 30 CFEDMN CC[C@@H](C(=O)OCCCC(C)(C)C#N)N(CC)CC ZINC000783787020 628745624 /nfs/dbraw/zinc/74/56/24/628745624.db2.gz YASOBQZVHWAVFJ-ZDUSSCGKSA-N 0 1 268.401 2.980 20 30 CFEDMN Cc1ccc(N=NC2CCC(=O)Nc3ccccc32)nc1 ZINC000783839812 628748929 /nfs/dbraw/zinc/74/89/29/628748929.db2.gz SPVMRKOWLACDOP-UHFFFAOYSA-N 0 1 280.331 2.939 20 30 CFEDMN COc1cccc(N=NCc2cc(-n3ccnc3)cs2)n1 ZINC000783866516 628752036 /nfs/dbraw/zinc/75/20/36/628752036.db2.gz JPBLJSPZBOXKHW-UHFFFAOYSA-N 0 1 299.359 2.783 20 30 CFEDMN Cc1nc[nH]c1C=NNc1ccc(C#N)c(Cl)c1 ZINC000783876719 628752984 /nfs/dbraw/zinc/75/29/84/628752984.db2.gz FLLCQNZWRVPTMQ-UHFFFAOYSA-N 0 1 259.700 2.689 20 30 CFEDMN CC[C@@H](C)CCCCC(=O)C(C#N)C(=O)NC(C)C ZINC000784829723 628844562 /nfs/dbraw/zinc/84/45/62/628844562.db2.gz YQYAIWHDLOGVQV-OLZOCXBDSA-N 0 1 266.385 2.826 20 30 CFEDMN C=C[C@](C)(CC)C(=O)NCc1n[nH]c(-c2ccccc2)n1 ZINC000785409994 628880164 /nfs/dbraw/zinc/88/01/64/628880164.db2.gz OSSUPRZBZLRGMG-MRXNPFEDSA-N 0 1 284.363 2.690 20 30 CFEDMN C=C[C@](C)(CC)C(=O)NCc1nc(-c2ccccc2)n[nH]1 ZINC000785409994 628880166 /nfs/dbraw/zinc/88/01/66/628880166.db2.gz OSSUPRZBZLRGMG-MRXNPFEDSA-N 0 1 284.363 2.690 20 30 CFEDMN C=CCCN(C)CN1C[C@@H](c2cccc(F)c2)CC1=O ZINC000786101742 628936955 /nfs/dbraw/zinc/93/69/55/628936955.db2.gz PECHDKVXICEDLH-AWEZNQCLSA-N 0 1 276.355 2.607 20 30 CFEDMN C=CCCN(C)CN1C[C@@](C)(c2ccccc2)CC1=O ZINC000786101456 628936986 /nfs/dbraw/zinc/93/69/86/628936986.db2.gz KXOQBIKBFUETHS-KRWDZBQOSA-N 0 1 272.392 2.642 20 30 CFEDMN C=CCCN(C)CN1CC[C@@](C)(c2ccccc2)C1=O ZINC000786102932 628937247 /nfs/dbraw/zinc/93/72/47/628937247.db2.gz YHRUWSNMLKJASR-KRWDZBQOSA-N 0 1 272.392 2.642 20 30 CFEDMN CCCC(C)(C)CC(=O)[C@@H](C#N)C(=O)Nc1ccccn1 ZINC000786324031 628948303 /nfs/dbraw/zinc/94/83/03/628948303.db2.gz BMIJNVBXGZFAPF-GFCCVEGCSA-N 0 1 287.363 2.945 20 30 CFEDMN Cc1cccc2nc([C@H](C#N)C(=O)[C@H]3CCCOCC3)[nH]c21 ZINC000786422039 628955354 /nfs/dbraw/zinc/95/53/54/628955354.db2.gz JMJLCOOKTRINRA-QWHCGFSZSA-N 0 1 297.358 2.864 20 30 CFEDMN C=CCC[N@H+](C)[C@@H](C)C(=O)Nc1cccnc1Cl ZINC000786446039 628957186 /nfs/dbraw/zinc/95/71/86/628957186.db2.gz QIDAUBQKYADMBI-JTQLQIEISA-N 0 1 267.760 2.570 20 30 CFEDMN C=CCCN(C)[C@@H](C)C(=O)Nc1cccnc1Cl ZINC000786446039 628957188 /nfs/dbraw/zinc/95/71/88/628957188.db2.gz QIDAUBQKYADMBI-JTQLQIEISA-N 0 1 267.760 2.570 20 30 CFEDMN CCc1ccc(NC(=O)C(C#N)C(=O)[C@@H]2C[C@H]2C)cc1 ZINC000786446704 628957573 /nfs/dbraw/zinc/95/75/73/628957573.db2.gz DNGDWEADAYRNGA-HONMWMINSA-N 0 1 270.332 2.552 20 30 CFEDMN C=C[C@@](C)(CC)COC(=O)c1ccc([N+](=O)[O-])[nH]1 ZINC000786528384 628966228 /nfs/dbraw/zinc/96/62/28/628966228.db2.gz NXFDANSXONGRMX-LBPRGKRZSA-N 0 1 252.270 2.682 20 30 CFEDMN Cc1cccc(CNC(=O)C(C#N)C(=O)[C@@H](C)C(C)C)c1 ZINC000786542710 628967794 /nfs/dbraw/zinc/96/77/94/628967794.db2.gz VGTFHXIYAAOWTF-ZFWWWQNUSA-N 0 1 286.375 2.612 20 30 CFEDMN C#C[C@H](N[C@H](C)[C@H](OC)c1ccccc1)[C@H]1CCCO1 ZINC000786915988 628984521 /nfs/dbraw/zinc/98/45/21/628984521.db2.gz GJCPLSDZDSOHEU-XBVQOTNRSA-N 0 1 273.376 2.533 20 30 CFEDMN C#Cc1ccc(CN2CCN(c3ccccc3O)CC2)cc1 ZINC000787773146 629034005 /nfs/dbraw/zinc/03/40/05/629034005.db2.gz OMURKYPMDPOXGX-UHFFFAOYSA-N 0 1 292.382 2.696 20 30 CFEDMN N#Cc1ccc(O)c(NC(=O)c2nc3cccnc3s2)c1 ZINC000788305672 629057610 /nfs/dbraw/zinc/05/76/10/629057610.db2.gz PBTDOGWMIGDLRP-UHFFFAOYSA-N 0 1 296.311 2.521 20 30 CFEDMN C=CCNC(=S)Nc1cccc2c1OCC[C@@H]2N(C)C ZINC000788344022 629060437 /nfs/dbraw/zinc/06/04/37/629060437.db2.gz ISPVTSNEADTWME-ZDUSSCGKSA-N 0 1 291.420 2.544 20 30 CFEDMN OC[C@H](NN=Cc1cccc(Cl)c1O)c1ccccc1 ZINC000788469126 629071603 /nfs/dbraw/zinc/07/16/03/629071603.db2.gz OEAUIPSRWOYRFT-AWEZNQCLSA-N 0 1 290.750 2.703 20 30 CFEDMN NC(=O)c1ccccc1C=NNc1nc2ccccc2s1 ZINC000788699457 629093020 /nfs/dbraw/zinc/09/30/20/629093020.db2.gz WHCIJTILOVOLQX-UHFFFAOYSA-N 0 1 296.355 2.841 20 30 CFEDMN Fc1ccc(NN=C2CCCc3c[nH]nc32)c(F)c1 ZINC000788928597 629109851 /nfs/dbraw/zinc/10/98/51/629109851.db2.gz LUVPSRVHZKKMSR-UHFFFAOYSA-N 0 1 262.263 2.840 20 30 CFEDMN COc1ncc(C(C)=NNc2cc(C)ncn2)cc1Cl ZINC000789018264 629117841 /nfs/dbraw/zinc/11/78/41/629117841.db2.gz RXJLCQIZCATDTP-UHFFFAOYSA-N 0 1 291.742 2.678 20 30 CFEDMN CCC(=NNc1cncc(Br)c1)c1cn[nH]c1 ZINC000789033745 629119283 /nfs/dbraw/zinc/11/92/83/629119283.db2.gz JDJNQFROOMXIRP-UHFFFAOYSA-N 0 1 294.156 2.793 20 30 CFEDMN Clc1sccc1C=NNCCN1CCCCC1 ZINC000790158594 629214533 /nfs/dbraw/zinc/21/45/33/629214533.db2.gz ZTJNQSMNGWPCFQ-UHFFFAOYSA-N 0 1 271.817 2.811 20 30 CFEDMN C#CCOc1ccccc1C=NNc1ncccc1C ZINC000790185528 629217015 /nfs/dbraw/zinc/21/70/15/629217015.db2.gz FNIYUYKDBNRIPU-UHFFFAOYSA-N 0 1 265.316 2.848 20 30 CFEDMN CC(=O)Nc1ccc(C=NNc2ncccc2C)cc1 ZINC000790192875 629218734 /nfs/dbraw/zinc/21/87/34/629218734.db2.gz INUSIOPEOLQKMX-UHFFFAOYSA-N 0 1 268.320 2.794 20 30 CFEDMN Cc1cc2c(c(C)c1)NC(=O)C2=NNc1ncccc1C ZINC000790193593 629218901 /nfs/dbraw/zinc/21/89/01/629218901.db2.gz JBLCIUQNRGOAMH-UHFFFAOYSA-N 0 1 280.331 2.775 20 30 CFEDMN Cn1cc[nH+]c1[N-]N=Cc1ccccc1OCC1CC1 ZINC000790300354 629227579 /nfs/dbraw/zinc/22/75/79/629227579.db2.gz UMKNUHGOCDWKIQ-UHFFFAOYSA-N 0 1 270.336 2.655 20 30 CFEDMN Cn1ccnc1NN=C1CCSc2ccc(F)cc21 ZINC000790300516 629227789 /nfs/dbraw/zinc/22/77/89/629227789.db2.gz VCSMTJOGJYXZAF-UHFFFAOYSA-N 0 1 276.340 2.871 20 30 CFEDMN Cn1cc[nH+]c1[N-]N=Cc1ccc(Br)cc1F ZINC000790300408 629227811 /nfs/dbraw/zinc/22/78/11/629227811.db2.gz XSOKTDBQOMALCY-UHFFFAOYSA-N 0 1 297.131 2.768 20 30 CFEDMN Cc1cccc2[nH]cc(C=NNc3nccn3C)c21 ZINC000790306296 629229474 /nfs/dbraw/zinc/22/94/74/629229474.db2.gz WODOYSHETFAEPP-UHFFFAOYSA-N 0 1 253.309 2.656 20 30 CFEDMN C#CCN(C/C=C/c1ccc(N(C)C)cc1)C1CC1 ZINC000835044365 629341013 /nfs/dbraw/zinc/34/10/13/629341013.db2.gz BMBHHJDQGLEBGE-AATRIKPKSA-N 0 1 254.377 2.863 20 30 CFEDMN CC(C)CC(CC(C)C)C(=O)C(C#N)C(=O)NC1CC1 ZINC000835065396 629365775 /nfs/dbraw/zinc/36/57/75/629365775.db2.gz NCIJWWJECZGDAF-AWEZNQCLSA-N 0 1 278.396 2.682 20 30 CFEDMN CCC[C@@H]1CCC[C@@H]1C(=O)[C@@H](C#N)C(=O)NC1CCCC1 ZINC000835073488 629371604 /nfs/dbraw/zinc/37/16/04/629371604.db2.gz MTTYHHIBNXWFTJ-VHDGCEQUSA-N 0 1 290.407 2.970 20 30 CFEDMN N#CC(C(=O)C[C@@H]1CC[C@@H]2C[C@@H]21)c1nnc2n1CCCCC2 ZINC000835076522 629374761 /nfs/dbraw/zinc/37/47/61/629374761.db2.gz RCIHEAOFLVGRGH-ZOBORPQBSA-N 0 1 298.390 2.617 20 30 CFEDMN CC[C@@H]1CC[C@@H](C(=O)C(C#N)c2cnc3ccccc3n2)O1 ZINC000792109905 629398035 /nfs/dbraw/zinc/39/80/35/629398035.db2.gz WOVYRRSCEXTBOA-WQGACYEGSA-N 0 1 295.342 2.764 20 30 CFEDMN N#CC(C(=O)[C@@H]1[C@H]2CCCO[C@H]21)c1nccc2ccccc21 ZINC000792107193 629398046 /nfs/dbraw/zinc/39/80/46/629398046.db2.gz VCWJIWINKQENDM-LDDOYCOJSA-N 0 1 292.338 2.836 20 30 CFEDMN C[C@@H](C#N)OCCN1CCC(CC(F)(F)F)CC1 ZINC000792933854 629468394 /nfs/dbraw/zinc/46/83/94/629468394.db2.gz NVRNCGDCMFDTSG-JTQLQIEISA-N 0 1 264.291 2.579 20 30 CFEDMN CC[C@H](C#N)Oc1cc(CNCC2(F)CC2)ccc1OC ZINC000792975941 629472484 /nfs/dbraw/zinc/47/24/84/629472484.db2.gz MWSKFTBEYKXIRN-CYBMUJFWSA-N 0 1 292.354 2.968 20 30 CFEDMN CC(=NNc1ccc(C)cn1)c1ccc(C(=O)N(C)C)cc1 ZINC000793004350 629475131 /nfs/dbraw/zinc/47/51/31/629475131.db2.gz KEAORWSKHQAXOQ-UHFFFAOYSA-N 0 1 296.374 2.928 20 30 CFEDMN CCC[C@H](OC)C(=O)[C@@H](C#N)c1nc2cccc(C)c2[nH]1 ZINC000835171773 629486035 /nfs/dbraw/zinc/48/60/35/629486035.db2.gz HHYXOZLALHQCNF-YPMHNXCESA-N 0 1 285.347 2.863 20 30 CFEDMN COCC1(C(=O)C(C#N)c2nc3ccccc3o2)CCC1 ZINC000793121714 629489984 /nfs/dbraw/zinc/48/99/84/629489984.db2.gz JPRRHVUOZKPFSJ-NSHDSACASA-N 0 1 284.315 2.821 20 30 CFEDMN Oc1cccc(C=NNc2cccc(Cl)n2)c1O ZINC000793163712 629495704 /nfs/dbraw/zinc/49/57/04/629495704.db2.gz MNDZYKSIMIQCFY-UHFFFAOYSA-N 0 1 263.684 2.592 20 30 CFEDMN O=[N+]([O-])c1ccc(CN=Nc2cccc(Cl)n2)o1 ZINC000793173414 629498591 /nfs/dbraw/zinc/49/85/91/629498591.db2.gz AELMGBHWIFCJPS-UHFFFAOYSA-N 0 1 266.644 2.682 20 30 CFEDMN C=C[C@H](CC)OC(=O)c1ccc(-c2nnc[nH]2)cc1 ZINC000793184294 629500819 /nfs/dbraw/zinc/50/08/19/629500819.db2.gz DRDCDLTYWKOSNO-GFCCVEGCSA-N 0 1 257.293 2.593 20 30 CFEDMN CC(C)n1nccc1C=NNc1nc2ccccc2n1C ZINC000794494491 629651158 /nfs/dbraw/zinc/65/11/58/629651158.db2.gz HHOUUNVGCSZNOX-UHFFFAOYSA-N 0 1 282.351 2.797 20 30 CFEDMN Cn1cnc(C=NNc2cccc(Cl)c2F)c1 ZINC000794498610 629651273 /nfs/dbraw/zinc/65/12/73/629651273.db2.gz BYPHQFNJLFMZSC-UHFFFAOYSA-N 0 1 252.680 2.659 20 30 CFEDMN CN(Cn1cc2c(c(C#N)c1=O)CCC2)[C@H]1CCC(C)(C)C1 ZINC000794683446 629674293 /nfs/dbraw/zinc/67/42/93/629674293.db2.gz FGZJYMUTMOEVTO-AWEZNQCLSA-N 0 1 299.418 2.677 20 30 CFEDMN CC(=NNC1=NC[C@H](C)N1)c1cccc(CC(C)C)c1 ZINC000794927450 629705708 /nfs/dbraw/zinc/70/57/08/629705708.db2.gz NENJJVWALYDEBN-LBPRGKRZSA-N 0 1 272.396 2.546 20 30 CFEDMN CCCOc1ccc(C=NNc2cncnc2)cc1OC ZINC000794976941 629714510 /nfs/dbraw/zinc/71/45/10/629714510.db2.gz SZHOKTNUPCYCSF-UHFFFAOYSA-N 0 1 286.335 2.720 20 30 CFEDMN COc1ccc2oc(CN=Nc3cncnc3)cc2c1 ZINC000794978297 629715079 /nfs/dbraw/zinc/71/50/79/629715079.db2.gz KKJKCNZZFMQQLG-UHFFFAOYSA-N 0 1 268.276 2.677 20 30 CFEDMN O=[N+]([O-])c1cc(CN=Nc2ncccc2F)cs1 ZINC000794988951 629717419 /nfs/dbraw/zinc/71/74/19/629717419.db2.gz BJFQFRVYTKSOLC-UHFFFAOYSA-N 0 1 266.257 2.636 20 30 CFEDMN Fc1ccc(CN=Nc2cccc(F)n2)c(F)c1 ZINC000795008877 629723707 /nfs/dbraw/zinc/72/37/07/629723707.db2.gz QWQHTVJYAZUMLK-UHFFFAOYSA-N 0 1 251.211 2.945 20 30 CFEDMN Fc1cccc(NN=Cc2ccc(F)c(F)c2)n1 ZINC000795008213 629723717 /nfs/dbraw/zinc/72/37/17/629723717.db2.gz YMGFPQIWRKRPKT-UHFFFAOYSA-N 0 1 251.211 2.945 20 30 CFEDMN COCCCON=C1C[C@H](C)N(Cc2ccccc2)C1 ZINC000795050499 629729966 /nfs/dbraw/zinc/72/99/66/629729966.db2.gz DVBVRHAMMIVBMI-AWEZNQCLSA-N 0 1 276.380 2.690 20 30 CFEDMN C=C(Cl)CN1CC[C@H](C(=O)OC)[C@H]2CCCC[C@@H]21 ZINC000852497578 634762378 /nfs/dbraw/zinc/76/23/78/634762378.db2.gz WZCPIDSHAPTUJQ-AGIUHOORSA-N 0 1 271.788 2.793 20 30 CFEDMN COc1ccc([C@@H]2C[C@H]2NC[C@@H](C#N)CCC#N)cc1 ZINC000795479979 629786261 /nfs/dbraw/zinc/78/62/61/629786261.db2.gz HFCGZMMDHJVBEC-UHOFOFEASA-N 0 1 269.348 2.584 20 30 CFEDMN C=C(Cl)CN1CC[C@H](c2ccccc2)[C@H](CO)C1 ZINC000852520489 634770095 /nfs/dbraw/zinc/77/00/95/634770095.db2.gz ISDUWRSEIAQHAW-LSDHHAIUSA-N 0 1 265.784 2.837 20 30 CFEDMN CC[C@H](C)[C@H](OC)C(=O)C(C#N)c1nc(C)cs1 ZINC000796619442 629941994 /nfs/dbraw/zinc/94/19/94/629941994.db2.gz OALIQHCGXJNEBS-XRNSZHNASA-N 0 1 266.366 2.689 20 30 CFEDMN CC[C@H](C)[C@@H](OC)C(=O)C(C#N)c1nc(C)cs1 ZINC000796619435 629942001 /nfs/dbraw/zinc/94/20/01/629942001.db2.gz OALIQHCGXJNEBS-MKPLZMMCSA-N 0 1 266.366 2.689 20 30 CFEDMN CC(C)NC(=O)[C@@H](C#N)C(=O)[C@@H](F)CC1CCCCC1 ZINC000796631327 629943182 /nfs/dbraw/zinc/94/31/82/629943182.db2.gz SFKWAXJPXUNKPI-STQMWFEESA-N 0 1 282.359 2.528 20 30 CFEDMN CC#CCN1CCC[C@H]1COC(=O)NC1CCCCC1 ZINC000796684378 629950356 /nfs/dbraw/zinc/95/03/56/629950356.db2.gz STCCNFYUIAXPKX-HNNXBMFYSA-N 0 1 278.396 2.533 20 30 CFEDMN C#CCCCCCCOC(=O)[C@@H]1CCCc2[nH]ncc21 ZINC000835715255 629978482 /nfs/dbraw/zinc/97/84/82/629978482.db2.gz WFUPFPZFCUHAHF-CYBMUJFWSA-N 0 1 274.364 2.957 20 30 CFEDMN CC[C@@](C)(C#N)C(=O)O[C@@H]1CCN(Cc2ccccc2)C1 ZINC000797037630 630006409 /nfs/dbraw/zinc/00/64/09/630006409.db2.gz FYCCZPDRHJKHCG-WBVHZDCISA-N 0 1 286.375 2.744 20 30 CFEDMN N#CCC1(C[NH2+]Cc2cc(Cl)ccc2[O-])CC1 ZINC000797468841 630071011 /nfs/dbraw/zinc/07/10/11/630071011.db2.gz QVYFAICEHPDNPI-UHFFFAOYSA-N 0 1 250.729 2.829 20 30 CFEDMN C#CCN(Cc1ccc([N+](=O)[O-])cc1OC)C1CCCC1 ZINC000797518858 630076657 /nfs/dbraw/zinc/07/66/57/630076657.db2.gz LTMNBCVIPTWZAR-UHFFFAOYSA-N 0 1 288.347 2.981 20 30 CFEDMN Cc1cc(Cl)cc(CNCC2(C#N)CC2)c1O ZINC000797604883 630088938 /nfs/dbraw/zinc/08/89/38/630088938.db2.gz FBUTXKDCWPIFNO-UHFFFAOYSA-N 0 1 250.729 2.747 20 30 CFEDMN O=C(C=Cc1cc(F)c(O)c(F)c1)c1cc[nH]c(=O)c1 ZINC000798230791 630168857 /nfs/dbraw/zinc/16/88/57/630168857.db2.gz PWHSKMGULUTDLE-OWOJBTEDSA-N 0 1 277.226 2.667 20 30 CFEDMN CC(C)[C@H](C(=O)C(C#N)c1nc2ccccc2o1)N(C)C ZINC000798817690 630241723 /nfs/dbraw/zinc/24/17/23/630241723.db2.gz FJISCNUAEMRPEP-SMDDNHRTSA-N 0 1 285.347 2.590 20 30 CFEDMN CC(C)[C@@H](C(=O)OC[C@H](C#N)Cc1cccs1)N(C)C ZINC000798844947 630245434 /nfs/dbraw/zinc/24/54/34/630245434.db2.gz FQABSPSYEXRTEI-JSGCOSHPSA-N 0 1 294.420 2.560 20 30 CFEDMN C(CN1CCCCC1)NN=C1CCC[C@@H]([C@H]2CCOC2)C1 ZINC000799109148 630275493 /nfs/dbraw/zinc/27/54/93/630275493.db2.gz WRQAARZHODDDHG-CVEARBPZSA-N 0 1 293.455 2.645 20 30 CFEDMN CC(=NNC1CCCCC1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000799113566 630276390 /nfs/dbraw/zinc/27/63/90/630276390.db2.gz QWUNSNPELLPFIK-UHFFFAOYSA-N 0 1 276.340 2.823 20 30 CFEDMN C=CCN1CC[C@H](N[C@@H](CC)c2ccccc2OC)C1=O ZINC000799156494 630281198 /nfs/dbraw/zinc/28/11/98/630281198.db2.gz WDLVPOKGFZIVPK-GJZGRUSLSA-N 0 1 288.391 2.523 20 30 CFEDMN N#CCC[C@H](NC[C@@H](O)c1ccc(F)cn1)c1ccccc1 ZINC000799316635 630296814 /nfs/dbraw/zinc/29/68/14/630296814.db2.gz VAKBJYFXYQDLLR-DOTOQJQBSA-N 0 1 299.349 2.889 20 30 CFEDMN CCCC[C@@H](C)C(=O)C(C#N)C(=O)NC1CCCCC1 ZINC000800385214 630375781 /nfs/dbraw/zinc/37/57/81/630375781.db2.gz USNMEEVIJFHONE-OCCSQVGLSA-N 0 1 278.396 2.970 20 30 CFEDMN C#C[C@H](NC[C@H](OC)c1ccc(Cl)cc1)[C@H]1CCCO1 ZINC000801544161 630455716 /nfs/dbraw/zinc/45/57/16/630455716.db2.gz BOKPWXMKVMFOQA-XHSDSOJGSA-N 0 1 293.794 2.798 20 30 CFEDMN C[C@H](C#N)OCCN1CCC(C(=O)c2ccccc2)CC1 ZINC000801909708 630485147 /nfs/dbraw/zinc/48/51/47/630485147.db2.gz HHSZJNCFWCHDNQ-CQSZACIVSA-N 0 1 286.375 2.510 20 30 CFEDMN C[C@H](C#N)OCCN1CCC[C@@H]1CC(=O)c1cccs1 ZINC000801933579 630490732 /nfs/dbraw/zinc/49/07/32/630490732.db2.gz AHRKYUVOEYHXHY-CHWSQXEVSA-N 0 1 292.404 2.714 20 30 CFEDMN CC(C)[C@H](C#N)N1CCN(CCSC(C)(C)C)CC1 ZINC000801936172 630491872 /nfs/dbraw/zinc/49/18/72/630491872.db2.gz JYRUNZCICBXHTO-AWEZNQCLSA-N 0 1 283.485 2.684 20 30 CFEDMN N#C[C@@H](C(=O)Nc1ccccc1)C(=O)c1coc(C2CC2)n1 ZINC000802042966 630499513 /nfs/dbraw/zinc/49/95/13/630499513.db2.gz MQNXZEDNDUCWBD-GFCCVEGCSA-N 0 1 295.298 2.513 20 30 CFEDMN N#CC(C(=O)Nc1ccccc1)C(=O)c1coc(C2CC2)n1 ZINC000802042966 630499515 /nfs/dbraw/zinc/49/95/15/630499515.db2.gz MQNXZEDNDUCWBD-GFCCVEGCSA-N 0 1 295.298 2.513 20 30 CFEDMN C[C@H](C#N)Oc1ccc(CN2CC[C@H](OC(F)F)C2)cc1 ZINC000802658835 630536605 /nfs/dbraw/zinc/53/66/05/630536605.db2.gz RIOJJBXBZCKANQ-RISCZKNCSA-N 0 1 296.317 2.791 20 30 CFEDMN C=CCN1CCN(CN2C[C@@H](c3ccccc3)C[C@H]2C)C1=O ZINC000839998439 630607820 /nfs/dbraw/zinc/60/78/20/630607820.db2.gz QPMKGCGLQQOEAZ-WBVHZDCISA-N 0 1 299.418 2.746 20 30 CFEDMN C=CCCCCCN(C)CN1C(=O)[C@@H]2CCC[C@@H]21 ZINC000840008749 630630193 /nfs/dbraw/zinc/63/01/93/630630193.db2.gz WXNKKINCNICDJZ-KGLIPLIRSA-N 0 1 250.386 2.633 20 30 CFEDMN N#CCC1CCN(Cn2ccc(-c3ccc(F)cn3)n2)CC1 ZINC000840041845 630678229 /nfs/dbraw/zinc/67/82/29/630678229.db2.gz FPBLOXRHBHTYKJ-UHFFFAOYSA-N 0 1 299.353 2.667 20 30 CFEDMN CCN(CC)c1ccc(/C=N/CC(=O)OC(C)C)c(O)c1 ZINC000103716717 630875497 /nfs/dbraw/zinc/87/54/97/630875497.db2.gz QDOOLFRZJRLKFU-LICLKQGHSA-N 0 1 292.379 2.609 20 30 CFEDMN C=CCc1cc(CN2CC[C@H](F)C2)c(O)c(OC)c1 ZINC000840107859 630902027 /nfs/dbraw/zinc/90/20/27/630902027.db2.gz ZZJBXEIUVAGPPV-ZDUSSCGKSA-N 0 1 265.328 2.673 20 30 CFEDMN Cc1ccc(NN=Cc2cn(-c3ccccc3C)nn2)nc1 ZINC000807968865 630928196 /nfs/dbraw/zinc/92/81/96/630928196.db2.gz DYAHRTBBTVDBPE-UHFFFAOYSA-N 0 1 292.346 2.725 20 30 CFEDMN COc1ccc2nc(NN=Cc3cnccn3)c(C)cc2c1 ZINC000807980985 630929796 /nfs/dbraw/zinc/92/97/96/630929796.db2.gz FQSOPYKBMFWVMZ-UHFFFAOYSA-N 0 1 293.330 2.788 20 30 CFEDMN CC(=NNc1nccn1C)c1cc(Cl)cc(C)c1O ZINC000807986493 630931527 /nfs/dbraw/zinc/93/15/27/630931527.db2.gz KMCSCNHJSFRWOR-UHFFFAOYSA-N 0 1 278.743 2.924 20 30 CFEDMN N#Cc1cnc(NCc2cc(Cl)cc(Cl)c2O)cn1 ZINC000808089128 630949199 /nfs/dbraw/zinc/94/91/99/630949199.db2.gz IAYDJIGQXJVDCS-UHFFFAOYSA-N 0 1 295.129 2.973 20 30 CFEDMN N#Cc1ccc(NCc2cc(Cl)cc(Cl)c2O)nn1 ZINC000808089280 630949229 /nfs/dbraw/zinc/94/92/29/630949229.db2.gz PYHNLLSVWIXLFD-UHFFFAOYSA-N 0 1 295.129 2.973 20 30 CFEDMN C#Cc1cccc(CNC(=O)c2c(C)n[nH]c2C(C)C)c1 ZINC000837107441 630957393 /nfs/dbraw/zinc/95/73/93/630957393.db2.gz NNADFYBZLTVWGO-UHFFFAOYSA-N 0 1 281.359 2.753 20 30 CFEDMN N#CC1(COC(=O)c2ccc(O)c(Cl)c2)CCC1 ZINC000837332823 631001996 /nfs/dbraw/zinc/00/19/96/631001996.db2.gz KJFPQTBVKSWHIK-UHFFFAOYSA-N 0 1 265.696 2.896 20 30 CFEDMN O=C(C#CC1CC1)Nc1nc2ccc(C(F)(F)F)cc2[nH]1 ZINC000837489590 631045686 /nfs/dbraw/zinc/04/56/86/631045686.db2.gz GRGIKANCDGTVBW-UHFFFAOYSA-N 0 1 293.248 2.934 20 30 CFEDMN CC(C)(C)C#CC(=O)Nc1nc2ccc(F)cc2[nH]1 ZINC000837583681 631076709 /nfs/dbraw/zinc/07/67/09/631076709.db2.gz YIDQKDZDEFTFSM-UHFFFAOYSA-N 0 1 259.284 2.690 20 30 CFEDMN CC#CCCCC(=O)OCc1cc(O)ccc1[N+](=O)[O-] ZINC000837639609 631094524 /nfs/dbraw/zinc/09/45/24/631094524.db2.gz IJOYKISNKBOLKU-UHFFFAOYSA-N 0 1 277.276 2.537 20 30 CFEDMN O=C(C#CC1CC1)Nc1cc(Cl)c(O)cc1F ZINC000837653089 631097478 /nfs/dbraw/zinc/09/74/78/631097478.db2.gz IIGZKHMNYKRQDC-UHFFFAOYSA-N 0 1 253.660 2.537 20 30 CFEDMN C#Cc1ccc(CN2C[C@@H](CC)N(C(C)=O)C[C@@H]2CC)cc1 ZINC000809582744 631241659 /nfs/dbraw/zinc/24/16/59/631241659.db2.gz CHGTYBLTQWHPRI-RBUKOAKNSA-N 0 1 298.430 2.889 20 30 CFEDMN C#Cc1ccc(CN2CCOCC23CCCC3)cc1 ZINC000809590111 631241990 /nfs/dbraw/zinc/24/19/90/631241990.db2.gz NZXAUJMLVXZKJJ-UHFFFAOYSA-N 0 1 255.361 2.813 20 30 CFEDMN C#Cc1ccc(CNCc2ccc(OC)c(O)c2)cc1 ZINC000809612669 631246545 /nfs/dbraw/zinc/24/65/45/631246545.db2.gz VPUXUSNLJJBXJA-UHFFFAOYSA-N 0 1 267.328 2.672 20 30 CFEDMN C=CC[C@@H](NCc1cnc([C@H](C)O)s1)c1ccncc1 ZINC000809621102 631248691 /nfs/dbraw/zinc/24/86/91/631248691.db2.gz VGFQCUOMGVRCFN-SMDDNHRTSA-N 0 1 289.404 2.998 20 30 CFEDMN CCn1ccnc1NCc1ccc(N(C)CCC#N)cc1 ZINC000840886373 631251114 /nfs/dbraw/zinc/25/11/14/631251114.db2.gz DVUBBPPVIRDPTA-UHFFFAOYSA-N 0 1 283.379 2.865 20 30 CFEDMN C#Cc1ccc(CN2CCC[C@H](OC(F)F)C2)cc1 ZINC000809637658 631252609 /nfs/dbraw/zinc/25/26/09/631252609.db2.gz YNRQSCWWYBYBIW-AWEZNQCLSA-N 0 1 265.303 2.872 20 30 CFEDMN C#Cc1ccc(CN(CCO)Cc2ccc(C)o2)cc1 ZINC000809658491 631257827 /nfs/dbraw/zinc/25/78/27/631257827.db2.gz OUBGRPIKSFUDKT-UHFFFAOYSA-N 0 1 269.344 2.564 20 30 CFEDMN C#C[C@@H](C)NCc1ccc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000809682836 631260380 /nfs/dbraw/zinc/26/03/80/631260380.db2.gz FOEOIWTYGSMQDH-LLVKDONJSA-N 0 1 270.288 2.966 20 30 CFEDMN C#C[C@@H](C)NCc1ccccc1OCc1ccccn1 ZINC000809683106 631260954 /nfs/dbraw/zinc/26/09/54/631260954.db2.gz PLLAMMDIRYGUGX-CQSZACIVSA-N 0 1 266.344 2.772 20 30 CFEDMN C#C[C@H](C)NCc1ccccc1OCC(F)(F)F ZINC000809683504 631261878 /nfs/dbraw/zinc/26/18/78/631261878.db2.gz FLBXJLHUCDTELF-JTQLQIEISA-N 0 1 257.255 2.739 20 30 CFEDMN CC(C)(CCC#N)C[NH2+]Cc1cc(F)ccc1[O-] ZINC000809778419 631286652 /nfs/dbraw/zinc/28/66/52/631286652.db2.gz PCRCNZXMLNGEBC-UHFFFAOYSA-N 0 1 250.317 2.951 20 30 CFEDMN C#CCOc1cccc(Cl)c1CNC[C@H](CC)OC ZINC000810176519 631340753 /nfs/dbraw/zinc/34/07/53/631340753.db2.gz NYIRBODEAZIKAO-LBPRGKRZSA-N 0 1 281.783 2.867 20 30 CFEDMN N#CC(C(=O)C1(CCF)CC1)c1nc2ccccc2[nH]1 ZINC000810519969 631380498 /nfs/dbraw/zinc/38/04/98/631380498.db2.gz OYGKMIFGIRBYJG-JTQLQIEISA-N 0 1 271.295 2.879 20 30 CFEDMN N#CC(C(=O)C12CC(C(F)(F)F)(C1)C2)c1ccccn1 ZINC000810528056 631382128 /nfs/dbraw/zinc/38/21/28/631382128.db2.gz PXXOZCGHZCFODG-UHEGKEBESA-N 0 1 280.249 2.990 20 30 CFEDMN CCCCCCCCC(=O)N1C[C@H](C)N(CCO)C[C@@H]1C ZINC000841455934 631408863 /nfs/dbraw/zinc/40/88/63/631408863.db2.gz XZWBZRXLUBOFTQ-HOTGVXAUSA-N 0 1 298.471 2.651 20 30 CFEDMN N#C[C@@H](C(=O)Cc1cccc(Cl)c1F)c1ccncn1 ZINC000810674200 631424663 /nfs/dbraw/zinc/42/46/63/631424663.db2.gz ZYPPPLKDMGFSIM-SNVBAGLBSA-N 0 1 289.697 2.688 20 30 CFEDMN C[C@@H]1CC(N=Nc2ccccc2Cl)c2ncnn21 ZINC000841603801 631427901 /nfs/dbraw/zinc/42/79/01/631427901.db2.gz RMLQSOPMEFCVLD-MRVPVSSYSA-N 0 1 261.716 2.712 20 30 CFEDMN CCCCCCC[C@H](C)CNC(=O)N1CCNCC1 ZINC000841723964 631459134 /nfs/dbraw/zinc/45/91/34/631459134.db2.gz NUWAXDQPIOUCSF-AWEZNQCLSA-N 0 1 269.433 2.598 20 30 CFEDMN C=CCOCC[NH2+][C@H](C)c1ccc(Cl)cc1[O-] ZINC000841753160 631466301 /nfs/dbraw/zinc/46/63/01/631466301.db2.gz KIDIDHAXALCDIU-SNVBAGLBSA-N 0 1 255.745 2.899 20 30 CFEDMN CCCCCC[C@](C)([NH2+]Cc1nc(C#N)cs1)C(=O)[O-] ZINC000841800572 631472752 /nfs/dbraw/zinc/47/27/52/631472752.db2.gz HJCJPIZVOUFSSU-AWEZNQCLSA-N 0 1 295.408 2.918 20 30 CFEDMN CCOc1ccc(O)c(CNCC2(C#N)CCC2)c1 ZINC000841895721 631490639 /nfs/dbraw/zinc/49/06/39/631490639.db2.gz BFJWLVVCQCLOCO-UHFFFAOYSA-N 0 1 260.337 2.574 20 30 CFEDMN C[C@@H](CC(=O)Nc1cccc(F)c1)NCC1(C#N)CCC1 ZINC000841899642 631491270 /nfs/dbraw/zinc/49/12/70/631491270.db2.gz XIFMFRGNLSQZPZ-LBPRGKRZSA-N 0 1 289.354 2.826 20 30 CFEDMN C=CCCCCCCNC(=O)N1C[C@H]2CCC[C@@H](C1)N2 ZINC000841902949 631491407 /nfs/dbraw/zinc/49/14/07/631491407.db2.gz HCISMIFYHGVLSZ-GASCZTMLSA-N 0 1 279.428 2.659 20 30 CFEDMN C[C@@]1(CNC[C@@H](C#N)CCC#N)CC1(Cl)Cl ZINC000842154351 631555134 /nfs/dbraw/zinc/55/51/34/631555134.db2.gz SMPFIIQPFPQURW-ZJUUUORDSA-N 0 1 260.168 2.603 20 30 CFEDMN C=C(CC)COC(=O)[C@]1(F)CCN(C(C)(C)C)C1 ZINC000811444592 631563773 /nfs/dbraw/zinc/56/37/73/631563773.db2.gz JGEUSNJNXVYHMH-AWEZNQCLSA-N 0 1 257.349 2.708 20 30 CFEDMN C=CCNC(=O)C(C#N)C(=O)[C@H](CC)CC1CCCCC1 ZINC000842289288 631579957 /nfs/dbraw/zinc/57/99/57/631579957.db2.gz OYWBYWPODJJWHD-CABCVRRESA-N 0 1 290.407 2.994 20 30 CFEDMN COc1ccc(C(C)=NNc2ccc(C)cn2)cc1O ZINC000811641356 631590922 /nfs/dbraw/zinc/59/09/22/631590922.db2.gz YXPUWVLUMHSNPI-UHFFFAOYSA-N 0 1 271.320 2.940 20 30 CFEDMN C[C@@H]1C(=NOC2CCOCC2)CCN1Cc1ccccc1 ZINC000811648802 631592647 /nfs/dbraw/zinc/59/26/47/631592647.db2.gz QYFDFXFZGQRYDC-CQSZACIVSA-N 0 1 288.391 2.832 20 30 CFEDMN CC(=C[NH+]=Nc1nnc[n-]1)Cc1ccccc1OC(F)F ZINC000811650316 631593490 /nfs/dbraw/zinc/59/34/90/631593490.db2.gz VGZAUXAOTSARJH-HBVBQNRVSA-N 0 1 293.277 2.907 20 30 CFEDMN N#C[C@@H](C(=O)Cc1cccc(C2CC2)c1)c1ccncn1 ZINC000842334978 631596312 /nfs/dbraw/zinc/59/63/12/631596312.db2.gz GYUBSKPLBCLACP-OAHLLOKOSA-N 0 1 277.327 2.773 20 30 CFEDMN CO[C@H](CC(C)C)C(=O)C(C#N)c1cnc2ccccc2n1 ZINC000842347218 631600485 /nfs/dbraw/zinc/60/04/85/631600485.db2.gz WUWLCYJINNJOTG-MLGOLLRUSA-N 0 1 297.358 2.867 20 30 CFEDMN CCCON=Cc1cc2ccccc2nc1N1CCOCC1 ZINC000842565660 631664460 /nfs/dbraw/zinc/66/44/60/631664460.db2.gz KGXFNEWOJLNNGP-UHFFFAOYSA-N 0 1 299.374 2.832 20 30 CFEDMN C=CCN1C(=O)N=NC1SCC[C@@H]1CC1(Cl)Cl ZINC000842568373 631664753 /nfs/dbraw/zinc/66/47/53/631664753.db2.gz NZAFIUXHBPVVCN-SSDOTTSWSA-N 0 1 294.207 2.846 20 30 CFEDMN CCCON=C(C)c1ccc(N2CCOCC2)cc1 ZINC000842565396 631664892 /nfs/dbraw/zinc/66/48/92/631664892.db2.gz GSOOIJBPJBTBOV-UHFFFAOYSA-N 0 1 262.353 2.674 20 30 CFEDMN COc1ncc(C=NNc2cnc3ccccc3n2)s1 ZINC000812225481 631670389 /nfs/dbraw/zinc/67/03/89/631670389.db2.gz FNPZCUXYAQRWLD-UHFFFAOYSA-N 0 1 285.332 2.541 20 30 CFEDMN C#CC[C@@H]1CCCN(CN2C(=O)[C@@H](C)[C@H]2c2ccccc2)C1 ZINC000842629964 631685695 /nfs/dbraw/zinc/68/56/95/631685695.db2.gz TYWRCJZIWHSMGE-JZXOWHBKSA-N 0 1 296.414 2.899 20 30 CFEDMN C#CC[C@H]1CCCN(Cn2ccc(-c3nccs3)n2)C1 ZINC000842630071 631686139 /nfs/dbraw/zinc/68/61/39/631686139.db2.gz WRDBQXNBCUVMPT-ZDUSSCGKSA-N 0 1 286.404 2.699 20 30 CFEDMN CC(C)=CCC[C@H](C)CC(=O)[C@H](C#N)C(=O)NC1CC1 ZINC000842684569 631706340 /nfs/dbraw/zinc/70/63/40/631706340.db2.gz HWMFYLUOVUJYEY-JSGCOSHPSA-N 0 1 276.380 2.746 20 30 CFEDMN N#C[C@H](C(=O)[C@H]1CCCC[C@@H]1C1CC1)c1ccncn1 ZINC000842759393 631731704 /nfs/dbraw/zinc/73/17/04/631731704.db2.gz VVNORAZDEMJGSB-RDBSUJKOSA-N 0 1 269.348 2.869 20 30 CFEDMN N#CC(C(=O)C=C[C@H]1CCOC1)c1nc(C2CC2)cs1 ZINC000842942598 631788109 /nfs/dbraw/zinc/78/81/09/631788109.db2.gz LKECGLYWILUQNA-CDZUPVTRSA-N 0 1 288.372 2.789 20 30 CFEDMN N#C[C@H](C(=O)C=C[C@H]1CCOC1)c1nc(C2CC2)cs1 ZINC000842942598 631788116 /nfs/dbraw/zinc/78/81/16/631788116.db2.gz LKECGLYWILUQNA-CDZUPVTRSA-N 0 1 288.372 2.789 20 30 CFEDMN C#CCN(Cc1cccc2c1OCCO2)C1CCCC1 ZINC000155774438 650031265 /nfs/dbraw/zinc/03/12/65/650031265.db2.gz CWLALQHMIIYAFA-UHFFFAOYSA-N 0 1 271.360 2.836 20 30 CFEDMN N#CC(C(=O)C[C@@H]1CCOC1)c1cc(C(F)(F)F)ccn1 ZINC000813216927 631882506 /nfs/dbraw/zinc/88/25/06/631882506.db2.gz IDUJPUGFAQGVOP-GXSJLCMTSA-N 0 1 298.264 2.703 20 30 CFEDMN C[C@@H](CCC#N)CN1CCN(C(=O)OC(C)(C)C)[C@H](C)C1 ZINC000813338701 631908665 /nfs/dbraw/zinc/90/86/65/631908665.db2.gz PDYUVHHMCNGORI-UONOGXRCSA-N 0 1 295.427 2.867 20 30 CFEDMN O=C(/C=C\c1cnn(CC(F)F)c1)c1ccc(O)c(F)c1 ZINC000814188724 632027619 /nfs/dbraw/zinc/02/76/19/632027619.db2.gz SCBBMOURMFMADA-IWQZZHSRSA-N 0 1 296.248 2.889 20 30 CFEDMN CCN(CC)c1ccc(C=NOCC2CC2)c(O)c1 ZINC000814243435 632043661 /nfs/dbraw/zinc/04/36/61/632043661.db2.gz VVHURUVATLOXNC-UHFFFAOYSA-N 0 1 262.353 2.999 20 30 CFEDMN Cc1nn(-c2ccccc2)c(N)c1C=NOCCC1CC1 ZINC000814247155 632045892 /nfs/dbraw/zinc/04/58/92/632045892.db2.gz UASFNVFGQCDMAB-UHFFFAOYSA-N 0 1 284.363 2.914 20 30 CFEDMN C#CC[C@@H]1CCCN(C(=O)c2cc(-c3ccoc3)[nH]n2)C1 ZINC000844002657 632092923 /nfs/dbraw/zinc/09/29/23/632092923.db2.gz ZHHQUFPCOLZQAI-GFCCVEGCSA-N 0 1 283.331 2.545 20 30 CFEDMN C#CC1CCN(C(=O)c2cc(-c3ccc(F)cc3)[nH]n2)CC1 ZINC000844049236 632103727 /nfs/dbraw/zinc/10/37/27/632103727.db2.gz ZXISIBKENRPIAG-UHFFFAOYSA-N 0 1 297.333 2.701 20 30 CFEDMN CN(C[C@@H]1CCN(C(=O)OC(C)(C)C)C1)CC(C)(C)C#N ZINC000814670568 632105717 /nfs/dbraw/zinc/10/57/17/632105717.db2.gz YWJDREDLVLUUEG-ZDUSSCGKSA-N 0 1 295.427 2.725 20 30 CFEDMN CC(Cc1ccc(Br)cc1)=Nn1cnnc1 ZINC000814682238 632108130 /nfs/dbraw/zinc/10/81/30/632108130.db2.gz GQVZEKQGMKBBBC-UHFFFAOYSA-N 0 1 279.141 2.507 20 30 CFEDMN C[C@@H]1C(N=Nc2ncccn2)CCCN1Cc1ccccc1 ZINC000814797348 632126050 /nfs/dbraw/zinc/12/60/50/632126050.db2.gz LGNYWSDKKOIMML-CQSZACIVSA-N 0 1 295.390 2.929 20 30 CFEDMN Cc1ccc(NN=Cc2ncc(Cl)s2)nc1 ZINC000814831878 632134400 /nfs/dbraw/zinc/13/44/00/632134400.db2.gz VJPDYWFLSYYHTO-UHFFFAOYSA-N 0 1 252.730 2.946 20 30 CFEDMN Cc1ccc([N-]N=Cc2ncc(Cl)s2)[nH+]c1 ZINC000814831878 632134403 /nfs/dbraw/zinc/13/44/03/632134403.db2.gz VJPDYWFLSYYHTO-UHFFFAOYSA-N 0 1 252.730 2.946 20 30 CFEDMN C=C(Br)CNCc1ccc(-n2cccn2)cc1 ZINC000105453553 632135449 /nfs/dbraw/zinc/13/54/49/632135449.db2.gz ZJOZLTOPSBZKMV-UHFFFAOYSA-N 0 1 292.180 2.871 20 30 CFEDMN Clc1ccnc(NN=Cc2ccccc2-n2cncn2)c1 ZINC000814898949 632154287 /nfs/dbraw/zinc/15/42/87/632154287.db2.gz YRUBBVVANNUVCJ-UHFFFAOYSA-N 0 1 298.737 2.762 20 30 CFEDMN CC(=[NH+][N-]c1cccc(F)c1[N+](=O)[O-])c1ccc(N)nc1 ZINC000814919487 632165232 /nfs/dbraw/zinc/16/52/32/632165232.db2.gz SRHNMQXZTVQHRW-UHFFFAOYSA-N 0 1 289.270 2.547 20 30 CFEDMN CC(C)n1cc(CN=Nc2ccc(F)c(F)c2F)nn1 ZINC000814945108 632177070 /nfs/dbraw/zinc/17/70/70/632177070.db2.gz LIQDQZWGAPZPDH-UHFFFAOYSA-N 0 1 283.257 2.722 20 30 CFEDMN Fc1ccc(NN=Cc2cn3cccnc3n2)c(F)c1F ZINC000814945211 632177273 /nfs/dbraw/zinc/17/72/73/632177273.db2.gz QLLNWEAVYMEOAS-UHFFFAOYSA-N 0 1 291.236 2.593 20 30 CFEDMN CC[C@H](C)CN(C)c1ccc(F)cc1C=NNC[C@H](C)O ZINC000814965473 632182337 /nfs/dbraw/zinc/18/23/37/632182337.db2.gz BNXIGFOLVRAZRB-STQMWFEESA-N 0 1 295.402 2.612 20 30 CFEDMN CC[C@H](C)CN(C)c1ccc(F)cc1C=NNC[C@@H](C)O ZINC000814965472 632182602 /nfs/dbraw/zinc/18/26/02/632182602.db2.gz BNXIGFOLVRAZRB-QWHCGFSZSA-N 0 1 295.402 2.612 20 30 CFEDMN COCc1nc(Cl)cc(NN=Cc2ccsc2)n1 ZINC000814976519 632183370 /nfs/dbraw/zinc/18/33/70/632183370.db2.gz BDFDKENZXUIHJJ-UHFFFAOYSA-N 0 1 282.756 2.784 20 30 CFEDMN Cc1cc(C(F)(F)F)ccc1CN=Nc1cnnn1C ZINC000814984020 632185395 /nfs/dbraw/zinc/18/53/95/632185395.db2.gz SKDHJMDTBVAOGS-UHFFFAOYSA-N 0 1 283.257 2.588 20 30 CFEDMN CC(C)CCOc1ccc(CN=Nc2cnnn2C)cc1 ZINC000814984270 632185455 /nfs/dbraw/zinc/18/54/55/632185455.db2.gz VOAVAPMGOXNHJU-UHFFFAOYSA-N 0 1 287.367 2.686 20 30 CFEDMN CCSc1ccc(C(C)=NNc2cnnn2C)cc1 ZINC000814984322 632186543 /nfs/dbraw/zinc/18/65/43/632186543.db2.gz XFEPYFNYDNWMCR-UHFFFAOYSA-N 0 1 275.381 2.763 20 30 CFEDMN C(=NNc1nccnc1C1CCC1)c1ccns1 ZINC000844596460 632258619 /nfs/dbraw/zinc/25/86/19/632258619.db2.gz KNMFVNMTIKILCX-UHFFFAOYSA-N 0 1 259.338 2.647 20 30 CFEDMN CCCCCNC(=O)[C@H](C#N)C(=O)CC(C)(C)C1CC1 ZINC000815904771 632331069 /nfs/dbraw/zinc/33/10/69/632331069.db2.gz PITWSCUCUROEPQ-CYBMUJFWSA-N 0 1 278.396 2.828 20 30 CFEDMN CCCCCNC(=O)C(C#N)C(=O)[C@@H]1CC2CCC1CC2 ZINC000815904948 632331164 /nfs/dbraw/zinc/33/11/64/632331164.db2.gz UMRZOSVRFIDCGO-CVSAEHQPSA-N 0 1 290.407 2.828 20 30 CFEDMN CCCCCCNC(=O)C(C#N)C(=O)[C@@H](C)C(C)(F)F ZINC000815904871 632331573 /nfs/dbraw/zinc/33/15/73/632331573.db2.gz SEPXYNXWEZLKDF-GHMZBOCLSA-N 0 1 288.338 2.683 20 30 CFEDMN C[C@@H](C(=O)C(C#N)C(=O)Nc1ccccc1)C(C)(F)F ZINC000815907706 632332557 /nfs/dbraw/zinc/33/25/57/632332557.db2.gz IEUBFYMIRROBHK-GXSJLCMTSA-N 0 1 280.274 2.625 20 30 CFEDMN N#CC(C(=O)Nc1ccccc1)C(=O)[C@@H]1C[C@H]1C1CCC1 ZINC000845443546 632435844 /nfs/dbraw/zinc/43/58/44/632435844.db2.gz YXMNWFUFDHNJOO-ZNMIVQPWSA-N 0 1 282.343 2.770 20 30 CFEDMN N#CC1(CNCc2ccc3ccccc3c2O)CC1 ZINC000816598304 632491523 /nfs/dbraw/zinc/49/15/23/632491523.db2.gz WYUBYDSKGLWRPW-UHFFFAOYSA-N 0 1 252.317 2.939 20 30 CFEDMN C=CCC(F)(F)C(=O)N1CC(N(C)Cc2ccccc2)C1 ZINC000816650068 632504677 /nfs/dbraw/zinc/50/46/77/632504677.db2.gz TVOSFEHCKRTXEG-UHFFFAOYSA-N 0 1 294.345 2.541 20 30 CFEDMN C#CCCCC(=O)Nc1c(=O)[nH][nH]c1-c1ccccc1 ZINC000816752440 632519624 /nfs/dbraw/zinc/51/96/24/632519624.db2.gz DBEMKVQYQIORQO-UHFFFAOYSA-N 0 1 269.304 2.524 20 30 CFEDMN N#CC(C(=O)[C@@H]1CC12CC2)=C(O)C1(c2ccccc2)CC1 ZINC000845844862 632579840 /nfs/dbraw/zinc/57/98/40/632579840.db2.gz UUIWTNZWBMTQFJ-KGLIPLIRSA-N 0 1 279.339 2.796 20 30 CFEDMN C=C(C)CC[C@H](C)OC(=O)c1ccc([N+](=O)[O-])[nH]1 ZINC000845870760 632588215 /nfs/dbraw/zinc/58/82/15/632588215.db2.gz PCHSKQYCCGKERO-VIFPVBQESA-N 0 1 252.270 2.825 20 30 CFEDMN CSCC1(CC(=O)Nc2cc(C#N)ccc2O)CC1 ZINC000845886041 632590854 /nfs/dbraw/zinc/59/08/54/632590854.db2.gz BLCLTXRIGQVOEF-UHFFFAOYSA-N 0 1 276.361 2.736 20 30 CFEDMN C#C[C@@H](CC)NCc1cn(-c2cccc(C)c2)nc1C ZINC000845969414 632606382 /nfs/dbraw/zinc/60/63/82/632606382.db2.gz AQKPHCCYEHUNTA-INIZCTEOSA-N 0 1 267.376 2.991 20 30 CFEDMN CC(C)n1cc(CN(C)C[C@H](O)c2cccc(C#N)c2)cn1 ZINC000846006021 632612253 /nfs/dbraw/zinc/61/22/53/632612253.db2.gz FZTGUNNMGKGXMX-KRWDZBQOSA-N 0 1 298.390 2.501 20 30 CFEDMN CN(Cc1cc(C#N)cs1)C[C@H](O)c1cccc(C#N)c1 ZINC000846006317 632612289 /nfs/dbraw/zinc/61/22/89/632612289.db2.gz IEGYEGDAVAVMPV-INIZCTEOSA-N 0 1 297.383 2.657 20 30 CFEDMN C#C[C@H](NCc1cccc(C2CC2)c1)[C@@H]1CCCO1 ZINC000817410873 632623594 /nfs/dbraw/zinc/62/35/94/632623594.db2.gz UOOWQTBQNMIHNL-IRXDYDNUSA-N 0 1 255.361 2.834 20 30 CFEDMN CN(CCC#N)c1ccc(CN2CCC[C@H](F)C2)cc1 ZINC000846123537 632641461 /nfs/dbraw/zinc/64/14/61/632641461.db2.gz ZMMZKXASHHBLDS-HNNXBMFYSA-N 0 1 275.371 2.970 20 30 CFEDMN N#Cc1ccc(O)c(NC(=O)[C@@H]2CC[C@@H]3C[C@@H]3C2)c1 ZINC000817555528 632661102 /nfs/dbraw/zinc/66/11/02/632661102.db2.gz OIPFPAIJCUHYIK-IJLUTSLNSA-N 0 1 256.305 2.639 20 30 CFEDMN CCOc1ccccc1NC(=O)C(C#N)C(=O)[C@H]1CC12CC2 ZINC000817714391 632690430 /nfs/dbraw/zinc/69/04/30/632690430.db2.gz SEGUPQOXOOEPEH-VXGBXAGGSA-N 0 1 298.342 2.533 20 30 CFEDMN Cc1cc(C(C#N)C(=O)[C@@H]2CC[C@H]3C[C@H]3C2)nc(C)n1 ZINC000817713292 632690478 /nfs/dbraw/zinc/69/04/78/632690478.db2.gz BIWFEQSXGRQOAW-CRWXNKLISA-N 0 1 269.348 2.706 20 30 CFEDMN CC[C@H](NC(=O)C(C#N)C(=O)[C@H]1CC12CC2)c1ccccc1 ZINC000817729310 632695865 /nfs/dbraw/zinc/69/58/65/632695865.db2.gz CFHXLYXPGGZKCN-ZNMIVQPWSA-N 0 1 296.370 2.763 20 30 CFEDMN C=C(C)CONC(=O)[C@H](CC)c1ccc(F)cc1 ZINC000846536110 632725019 /nfs/dbraw/zinc/72/50/19/632725019.db2.gz TYUDBHAVVAJWIX-CYBMUJFWSA-N 0 1 251.301 2.943 20 30 CFEDMN C=C(C)CO[N-]C(=O)[C@@H]1CCCC[N@H+]1Cc1ccccc1 ZINC000846538460 632727178 /nfs/dbraw/zinc/72/71/78/632727178.db2.gz XESOYBGVFBUFDE-INIZCTEOSA-N 0 1 288.391 2.665 20 30 CFEDMN C=C[C@H](C)ONC(=O)Cc1nc(-c2cccs2)oc1C ZINC000846542990 632731577 /nfs/dbraw/zinc/73/15/77/632731577.db2.gz FAXTWKBUSYEEHT-VIFPVBQESA-N 0 1 292.360 2.876 20 30 CFEDMN Cc1cc(C#N)ccc1NCCCN1C[C@@H](C)O[C@H](C)C1 ZINC000846745840 632781342 /nfs/dbraw/zinc/78/13/42/632781342.db2.gz QKNOZCIUIODSKY-HUUCEWRRSA-N 0 1 287.407 2.778 20 30 CFEDMN C=CCCn1cc(CN(C)[C@@H]2CCc3ccccc3C2)nn1 ZINC000846809588 632806681 /nfs/dbraw/zinc/80/66/81/632806681.db2.gz VGDXFRBZURORBU-GOSISDBHSA-N 0 1 296.418 2.844 20 30 CFEDMN C=C[C@@H](C)NCc1cc(C(OC)OC)ccc1F ZINC000818194695 632810897 /nfs/dbraw/zinc/81/08/97/632810897.db2.gz NRNKNXCXFJOSFF-SNVBAGLBSA-N 0 1 253.317 2.781 20 30 CFEDMN C#C[C@H]1CCCN(Cc2ccc(C(=O)OC)c(Cl)c2)C1 ZINC000847017283 632882864 /nfs/dbraw/zinc/88/28/64/632882864.db2.gz BEKJDZJBJQMGEL-LBPRGKRZSA-N 0 1 291.778 2.972 20 30 CFEDMN C#C[C@@H]1CCCN(C[C@@H](O)c2ccc(F)cc2Cl)C1 ZINC000847020955 632885835 /nfs/dbraw/zinc/88/58/35/632885835.db2.gz GXLDQXKZUWEWCR-IAQYHMDHSA-N 0 1 281.758 2.858 20 30 CFEDMN C#C[C@@H]1CCCN([C@@H](C)C(=O)NC[C@@H](C)c2ccccc2)C1 ZINC000847025697 632890810 /nfs/dbraw/zinc/89/08/10/632890810.db2.gz CVBFSPFCBHHYME-IXDOHACOSA-N 0 1 298.430 2.640 20 30 CFEDMN C#C[C@H]1CCCN([C@H]2CCCN(c3ccccc3)C2=O)C1 ZINC000847025529 632891058 /nfs/dbraw/zinc/89/10/58/632891058.db2.gz NUOMOUCBKJZMPI-RDJZCZTQSA-N 0 1 282.387 2.527 20 30 CFEDMN C#C[C@H]1CCCN([C@@H](C)C(=O)N2CCCc3ccccc32)C1 ZINC000847025547 632891167 /nfs/dbraw/zinc/89/11/67/632891167.db2.gz CHLHILPRQMCIKO-HOTGVXAUSA-N 0 1 296.414 2.700 20 30 CFEDMN C#C[C@H]1CCCN(CC(=O)N(C)[C@@H](C)c2ccccc2)C1 ZINC000847029222 632893740 /nfs/dbraw/zinc/89/37/40/632893740.db2.gz MAFRWDFLDXZPBL-HOTGVXAUSA-N 0 1 284.403 2.551 20 30 CFEDMN CCCN(Cc1nc2ccccc2c(=O)n1CC#N)C(C)C ZINC000847030346 632894595 /nfs/dbraw/zinc/89/45/95/632894595.db2.gz DNVSRSVADPDENM-UHFFFAOYSA-N 0 1 298.390 2.540 20 30 CFEDMN C#C[C@H]1CCCN(CC(=O)N(CC)C2CCCCC2)C1 ZINC000847030314 632895177 /nfs/dbraw/zinc/89/51/77/632895177.db2.gz PZUVEIZOXKUMEY-HNNXBMFYSA-N 0 1 276.424 2.513 20 30 CFEDMN C#C[C@H]1CCCN([C@H](C)C(=O)Nc2cccc(C)c2)C1 ZINC000847031842 632896759 /nfs/dbraw/zinc/89/67/59/632896759.db2.gz VBUCDLRYGWSCOS-CABCVRRESA-N 0 1 270.376 2.667 20 30 CFEDMN N#Cc1ccc2c(c1)CN(CC1CCC3(CC1)OCCO3)C2 ZINC000847044158 632901477 /nfs/dbraw/zinc/90/14/77/632901477.db2.gz FPFSRTJWHSWVLF-UHFFFAOYSA-N 0 1 298.386 2.807 20 30 CFEDMN Cc1cc(N(C)C)ccc1CNC[C@H](C#N)CCC#N ZINC000819076445 632955930 /nfs/dbraw/zinc/95/59/30/632955930.db2.gz CERBMNOCTRGSMQ-AWEZNQCLSA-N 0 1 270.380 2.594 20 30 CFEDMN N#CCCN[C@@H]1CCCN(c2ccc(OC(F)F)cc2)C1 ZINC000819120367 632974307 /nfs/dbraw/zinc/97/43/07/632974307.db2.gz PMVLSAUORCYOCX-GFCCVEGCSA-N 0 1 295.333 2.760 20 30 CFEDMN C=C[C@@H](C)ONC(=O)c1cccc(C(F)(F)F)c1O ZINC000848244744 633223275 /nfs/dbraw/zinc/22/32/75/633223275.db2.gz CXZRIAGFKKKMBP-SSDOTTSWSA-N 0 1 275.226 2.647 20 30 CFEDMN C#C[C@@H]1CCCN(C(=O)[C@@H](c2ccccc2)N(CC)CC)C1 ZINC000848285008 633232479 /nfs/dbraw/zinc/23/24/79/633232479.db2.gz PWPIADGKFPNSBK-SJLPKXTDSA-N 0 1 298.430 2.941 20 30 CFEDMN C#C[C@H]1CCCN(C(=O)c2cc(-c3cccs3)[nH]n2)C1 ZINC000848286336 633233238 /nfs/dbraw/zinc/23/32/38/633233238.db2.gz GKUNUXADRKILPO-NSHDSACASA-N 0 1 285.372 2.624 20 30 CFEDMN O=C([O-])c1ccc(N=NC2CCC[N@H+]3CCCC[C@H]23)cc1 ZINC000848398507 633249039 /nfs/dbraw/zinc/24/90/39/633249039.db2.gz IXZRFRHTLYMQCF-OAHLLOKOSA-N 0 1 287.363 2.801 20 30 CFEDMN COc1ccc(CN[C@@H](C)c2cncnc2C)cc1C#N ZINC000848534963 633281008 /nfs/dbraw/zinc/28/10/08/633281008.db2.gz BTQZEBDUQJMWTI-NSHDSACASA-N 0 1 282.347 2.516 20 30 CFEDMN N#CCCCC[C@@H](N)c1nc(-c2ccc3[nH]cnc3c2)no1 ZINC000848623992 633300859 /nfs/dbraw/zinc/30/08/59/633300859.db2.gz OQZDZZHSVQVBDC-LLVKDONJSA-N 0 1 296.334 2.697 20 30 CFEDMN C#C[C@@H](C)NCc1cn(-c2ccccc2Cl)nc1C ZINC000848910333 633394782 /nfs/dbraw/zinc/39/47/82/633394782.db2.gz JETFKBHCHSKJKJ-LLVKDONJSA-N 0 1 273.767 2.945 20 30 CFEDMN CN(CCC#N)c1ccc(CN2CC3(CC3(F)F)C2)cc1 ZINC000848921868 633403979 /nfs/dbraw/zinc/40/39/79/633403979.db2.gz JKPSFNCKZCSWRH-UHFFFAOYSA-N 0 1 291.345 2.877 20 30 CFEDMN C#C[C@H]1CCCN(Cc2cc(OC)c(OC)cc2OC)C1 ZINC000848923573 633405988 /nfs/dbraw/zinc/40/59/88/633405988.db2.gz NKHVGEOOIIBOCC-ZDUSSCGKSA-N 0 1 289.375 2.558 20 30 CFEDMN C=C(Cl)C[N@@H+]1CC[C@H](C(=O)[O-])[C@H]2CCCC[C@H]21 ZINC000849346715 633624330 /nfs/dbraw/zinc/62/43/30/633624330.db2.gz XXVPLIJBXJVLTM-GRYCIOLGSA-N 0 1 257.761 2.704 20 30 CFEDMN C#CC[C@H]1CCC[N@H+](Cc2csc(C(=O)[O-])c2)C1 ZINC000849344069 633623191 /nfs/dbraw/zinc/62/31/91/633623191.db2.gz AXHPTHCBACDUNF-NSHDSACASA-N 0 1 263.362 2.682 20 30 CFEDMN N#CCC1(COC(=O)c2c(F)cc(O)cc2F)CC1 ZINC000849733417 633694259 /nfs/dbraw/zinc/69/42/59/633694259.db2.gz ZNGOHXUCZISSNE-UHFFFAOYSA-N 0 1 267.231 2.521 20 30 CFEDMN CC(C)(C(=O)OCCc1ccc(C#N)cc1)N1CCCC1 ZINC000849776567 633713719 /nfs/dbraw/zinc/71/37/19/633713719.db2.gz MNZIHDYMUPKLOY-UHFFFAOYSA-N 0 1 286.375 2.518 20 30 CFEDMN C#CCCCCNCc1c(F)cncc1Br ZINC000850185714 633878334 /nfs/dbraw/zinc/87/83/34/633878334.db2.gz KBGAFXFAYZGQOU-UHFFFAOYSA-N 0 1 285.160 2.876 20 30 CFEDMN N#Cc1ccc(CN[C@@H]2C[C@@H](O)c3ccccc32)s1 ZINC000850371617 633961503 /nfs/dbraw/zinc/96/15/03/633961503.db2.gz LFUBHVREKRJWLA-HUUCEWRRSA-N 0 1 270.357 2.888 20 30 CFEDMN CO[C@H](C(=O)C(C#N)c1nc(C)cs1)C1CCCC1 ZINC000850737084 634068974 /nfs/dbraw/zinc/06/89/74/634068974.db2.gz QINXICZNUKDHFD-AAEUAGOBSA-N 0 1 278.377 2.833 20 30 CFEDMN N#CC(C(=O)C1CCC(C2CC2)CC1)C(=O)N1CCCC1 ZINC000850751484 634079826 /nfs/dbraw/zinc/07/98/26/634079826.db2.gz CKTZQVBACSTDTM-YMAMQOFZSA-N 0 1 288.391 2.534 20 30 CFEDMN CCCCCCNC(=O)[C@@H](C#N)C(=O)[C@@H]1CCC1(C)C ZINC000850751589 634079846 /nfs/dbraw/zinc/07/98/46/634079846.db2.gz DNUDEZYUYKZDEH-STQMWFEESA-N 0 1 278.396 2.828 20 30 CFEDMN N#C[C@H](C(=O)NC1CCCCC1)C(=O)[C@@H]1CCC[C@H]2C[C@H]21 ZINC000850757436 634081792 /nfs/dbraw/zinc/08/17/92/634081792.db2.gz KMJSEHSVTIQDRF-MYPMTAMASA-N 0 1 288.391 2.580 20 30 CFEDMN CC(C)NC(=O)C(C#N)C(=O)C1CC2(C1)CCCCC2 ZINC000850761374 634081826 /nfs/dbraw/zinc/08/18/26/634081826.db2.gz LJAWEPSNAVMJNU-ZDUSSCGKSA-N 0 1 276.380 2.580 20 30 CFEDMN Cc1cccc(CNC(=O)C(C#N)C(=O)[C@@H]2CCC2(C)C)c1 ZINC000850977030 634162940 /nfs/dbraw/zinc/16/29/40/634162940.db2.gz LRKKLUSCUXZRNP-GJZGRUSLSA-N 0 1 298.386 2.756 20 30 CFEDMN CC[C@@H](C(=O)O[C@@H](C)CC(C)(C)C#N)N(CC)CC ZINC000851207167 634270661 /nfs/dbraw/zinc/27/06/61/634270661.db2.gz UEIOASITPTXIFO-STQMWFEESA-N 0 1 268.401 2.978 20 30 CFEDMN C(=NNc1nc2ccccc2[nH]1)c1ccnn1CC1CC1 ZINC000853262148 634954548 /nfs/dbraw/zinc/95/45/48/634954548.db2.gz IOZAGXLMEHZOCU-UHFFFAOYSA-N 0 1 280.335 2.615 20 30 CFEDMN OC1CCN(c2ccc(C=NOC/C=C\Cl)cc2)CC1 ZINC000853347668 634978829 /nfs/dbraw/zinc/97/88/29/634978829.db2.gz NMTRBNCXKRIYLM-KVFMFETRSA-N 0 1 294.782 2.751 20 30 CFEDMN Fc1cnccc1NN=Cc1ccc(N2CCCCC2)o1 ZINC000853401748 634994654 /nfs/dbraw/zinc/99/46/54/634994654.db2.gz BNGLCTIQFYJGDU-UHFFFAOYSA-N 0 1 288.326 2.672 20 30 CFEDMN C[C@H]1C(N=Nc2ccncc2F)CCN1Cc1ccccc1 ZINC000853403155 634995500 /nfs/dbraw/zinc/99/55/00/634995500.db2.gz RWGGKXGDNLDSTC-ZDUSSCGKSA-N 0 1 298.365 2.705 20 30 CFEDMN CC(=NNc1ccncc1F)c1cnn(C(C)(C)C)c1C ZINC000853402204 634995690 /nfs/dbraw/zinc/99/56/90/634995690.db2.gz RIYPVDAJZHVCCL-UHFFFAOYSA-N 0 1 289.358 2.739 20 30 CFEDMN CC(=NNc1ccncc1F)c1c(C)nn(C(C)C)c1C ZINC000853402217 634995716 /nfs/dbraw/zinc/99/57/16/634995716.db2.gz RSLFASMZUKRKIC-UHFFFAOYSA-N 0 1 289.358 2.873 20 30 CFEDMN CC(C)(C)c1noc(C=NN=c2ccc(Cl)c[nH]2)n1 ZINC000853437300 634999154 /nfs/dbraw/zinc/99/91/54/634999154.db2.gz JMHQNTFZWPDOOL-UHFFFAOYSA-N 0 1 279.731 2.862 20 30 CFEDMN C=CC[C@@H]1CCCN(CN2C[C@@H](c3ccccn3)CC2=O)C1 ZINC000853536854 635031409 /nfs/dbraw/zinc/03/14/09/635031409.db2.gz JOPFCJNWJIVGKD-CVEARBPZSA-N 0 1 299.418 2.643 20 30 CFEDMN C#Cc1cccnc1NC[C@@H]1CC[N@H+]1Cc1ccccc1 ZINC000853979920 635183333 /nfs/dbraw/zinc/18/33/33/635183333.db2.gz ZYHBNHJHZFQDTJ-KRWDZBQOSA-N 0 1 277.371 2.749 20 30 CFEDMN C#Cc1cccnc1NC[C@@H]1CCN1Cc1ccccc1 ZINC000853979920 635183340 /nfs/dbraw/zinc/18/33/40/635183340.db2.gz ZYHBNHJHZFQDTJ-KRWDZBQOSA-N 0 1 277.371 2.749 20 30 CFEDMN C=CCCO[N-]C(=O)[C@H](c1ccc(Cl)cc1)[NH+](C)C ZINC000856028449 635704618 /nfs/dbraw/zinc/70/46/18/635704618.db2.gz TVVQZZWBSIMZKO-ZDUSSCGKSA-N 0 1 282.771 2.567 20 30 CFEDMN C=CCCONC(=O)Cc1csc(-c2ccc(C)o2)n1 ZINC000856030002 635705694 /nfs/dbraw/zinc/70/56/94/635705694.db2.gz LSKNURYGJGAPBG-UHFFFAOYSA-N 0 1 292.360 2.878 20 30 CFEDMN CC[C@H](C#N)Oc1cccc(CNCc2c[nH]nc2C)c1 ZINC000113961252 635747783 /nfs/dbraw/zinc/74/77/83/635747783.db2.gz QFYCDBBBSQBUBM-OAHLLOKOSA-N 0 1 284.363 2.689 20 30 CFEDMN C[C@@H]1CN(C(C)(C)C/N=C/c2ccccc2O)C[C@@H](C)O1 ZINC000011115198 635833922 /nfs/dbraw/zinc/83/39/22/635833922.db2.gz ZOPVPYKMCRYXOE-QEHPPJGSSA-N 0 1 290.407 2.699 20 30 CFEDMN C[C@H](CC1CCCC1)C(=O)C(C#N)C(=O)NC1CCCC1 ZINC000114618526 635866771 /nfs/dbraw/zinc/86/67/71/635866771.db2.gz GZTLBLBLLDIDIQ-IUODEOHRSA-N 0 1 290.407 2.970 20 30 CFEDMN C=CC[C@H]1CCCN(Cc2cn(C)nc2Cl)C1 ZINC000857049621 635918079 /nfs/dbraw/zinc/91/80/79/635918079.db2.gz NGMUARBVDBKNNN-NSHDSACASA-N 0 1 253.777 2.862 20 30 CFEDMN CC(C)N1CC(N=Nc2nc3cccnc3s2)[C@@H](C)C1 ZINC000857218808 635949309 /nfs/dbraw/zinc/94/93/09/635949309.db2.gz QZOUUTLUJCWWDY-JTQLQIEISA-N 0 1 289.408 2.819 20 30 CFEDMN CCC#C[C@@H](C)N1CC[C@H](Oc2ccc(C)cn2)C1 ZINC000858040257 636117861 /nfs/dbraw/zinc/11/78/61/636117861.db2.gz CQNRSHIIBGQBEC-CABCVRRESA-N 0 1 258.365 2.645 20 30 CFEDMN CCCCCCCNC(=O)NCCCc1cn[nH]c1C ZINC000858111044 636129217 /nfs/dbraw/zinc/12/92/17/636129217.db2.gz QOKSEGUISHWDKZ-UHFFFAOYSA-N 0 1 280.416 2.920 20 30 CFEDMN C#CC[C@@H](CCOC)NCc1csc(C(C)(C)C)n1 ZINC000858333977 636194403 /nfs/dbraw/zinc/19/44/03/636194403.db2.gz QLUVHOIYWGEKGQ-LBPRGKRZSA-N 0 1 280.437 2.959 20 30 CFEDMN C#Cc1ccc(C[N@@H+]2CCC[C@@H](C(C)(C)C(=O)[O-])C2)cc1 ZINC000859811931 636703942 /nfs/dbraw/zinc/70/39/42/636703942.db2.gz GNUCQAAHWRYHNL-MRXNPFEDSA-N 0 1 285.387 2.991 20 30 CFEDMN CSCCCCCCC(=O)C(C#N)C(=O)N1CCCC1 ZINC000860461169 636891198 /nfs/dbraw/zinc/89/11/98/636891198.db2.gz FSWQVCQKFAMOHS-ZDUSSCGKSA-N 0 1 296.436 2.631 20 30 CFEDMN CCCCCNC(=O)[C@@H](C#N)C(=O)[C@@H]1CCCC12CC2 ZINC000860463546 636891462 /nfs/dbraw/zinc/89/14/62/636891462.db2.gz DLHOCQJVCMCNJC-STQMWFEESA-N 0 1 276.380 2.582 20 30 CFEDMN C[C@@H](CC(=O)C(C#N)C(=O)NC1CCCC1)c1ccco1 ZINC000860478274 636893416 /nfs/dbraw/zinc/89/34/16/636893416.db2.gz UISWBNMMLOYAGD-AAEUAGOBSA-N 0 1 288.347 2.541 20 30 CFEDMN C=CC[C@@H](C)OC(=O)[C@@]1(F)CCN(C(C)(C)C)C1 ZINC000860896736 637005227 /nfs/dbraw/zinc/00/52/27/637005227.db2.gz QKMMIEBDPWVNFM-BXUZGUMPSA-N 0 1 257.349 2.707 20 30 CFEDMN C=CC[C@@H](C=C)OC(=O)[C@]1(F)CCN(C(C)(C)C)C1 ZINC000860929011 637022627 /nfs/dbraw/zinc/02/26/27/637022627.db2.gz PCLIPHODDOLJNB-DOMZBBRYSA-N 0 1 269.360 2.873 20 30 CFEDMN C#C[C@@H](CC)NCc1cc(C)c(Br)cn1 ZINC000862363790 637336136 /nfs/dbraw/zinc/33/61/36/637336136.db2.gz UYQVZOOAKHEWGJ-JTQLQIEISA-N 0 1 267.170 2.654 20 30 CFEDMN C=CC[C@@H]1CCN(Cc2cn(C)nc2Br)C1 ZINC000862441503 637380644 /nfs/dbraw/zinc/38/06/44/637380644.db2.gz SAUGPJOWELNTEN-SNVBAGLBSA-N 0 1 284.201 2.581 20 30 CFEDMN C#Cc1ccc(CN2CC(Cc3ccco3)C2)cc1 ZINC000862487931 637402256 /nfs/dbraw/zinc/40/22/56/637402256.db2.gz XZPLAERBXDHMSY-UHFFFAOYSA-N 0 1 251.329 2.935 20 30 CFEDMN Fc1ccc(N=NC2CN3C[C@@H]2CCC3)c(F)c1F ZINC000863115528 637561557 /nfs/dbraw/zinc/56/15/57/637561557.db2.gz RRKXCHLYXABLEU-QMMMGPOBSA-N 0 1 269.270 2.597 20 30 CFEDMN S=c1[nH]c2ccccc2nc1N=NC1C[N@H+]2C[C@@H]1CCC2 ZINC000863125333 637566209 /nfs/dbraw/zinc/56/62/09/637566209.db2.gz TVFIRTGJTJSPCM-JTQLQIEISA-N 0 1 299.403 2.786 20 30 CFEDMN S=c1[nH]c2ccccc2nc1N=NC1CN2C[C@@H]1CCC2 ZINC000863125333 637566216 /nfs/dbraw/zinc/56/62/16/637566216.db2.gz TVFIRTGJTJSPCM-JTQLQIEISA-N 0 1 299.403 2.786 20 30 CFEDMN Cc1cnccc1NN=Cc1cccc(OC2CC2)c1F ZINC000863157446 637571625 /nfs/dbraw/zinc/57/16/25/637571625.db2.gz AUDZCGJXLMFGHX-UHFFFAOYSA-N 0 1 285.322 2.938 20 30 CFEDMN COc1ccc(C(C)=NNc2ccncc2C)c(C)c1 ZINC000863158303 637571641 /nfs/dbraw/zinc/57/16/41/637571641.db2.gz WFGXJJDZZARBHO-UHFFFAOYSA-N 0 1 269.348 2.965 20 30 CFEDMN CCOc1ccc(C=NNc2ccncc2C)cc1OC ZINC000863157930 637571734 /nfs/dbraw/zinc/57/17/34/637571734.db2.gz VKYZGHPTSJPUKS-UHFFFAOYSA-N 0 1 285.347 2.665 20 30 CFEDMN COCCOCc1ccc(C=NNc2cccc(C)n2)cc1 ZINC000863159970 637574181 /nfs/dbraw/zinc/57/41/81/637574181.db2.gz LWLAKXSIDXRFSD-UHFFFAOYSA-N 0 1 299.374 2.999 20 30 CFEDMN CCn1nncc1C/N=C/c1cc(Cl)cc(Cl)c1O ZINC000864345396 637946062 /nfs/dbraw/zinc/94/60/62/637946062.db2.gz VFTJTESZOJPHMF-PJQLUOCWSA-N 0 1 299.161 2.930 20 30 CFEDMN C=C(Cl)C[C@@H]([NH2+]Cc1ccc(CC)o1)C(=O)[O-] ZINC000864518646 638009047 /nfs/dbraw/zinc/00/90/47/638009047.db2.gz PSQHGUWJLXCNHG-LLVKDONJSA-N 0 1 257.717 2.527 20 30 CFEDMN CCCCCNC(=O)C(C#N)C(=O)[C@@H]1CCC[C@H](C)C1 ZINC000076818693 650406101 /nfs/dbraw/zinc/40/61/01/650406101.db2.gz UDNIJELLWGPOSH-BFHYXJOUSA-N 0 1 278.396 2.828 20 30 CFEDMN CCn1nc(C)c(CNc2nc3ccc(C#N)cc3[nH]2)c1C ZINC000865295664 638261611 /nfs/dbraw/zinc/26/16/11/638261611.db2.gz JOHXZJPVDCGGFJ-UHFFFAOYSA-N 0 1 294.362 2.880 20 30 CFEDMN Cc1ccc(CNCc2cc(C#N)ccc2N(C)C)cn1 ZINC000865416542 638322811 /nfs/dbraw/zinc/32/28/11/638322811.db2.gz BUKCOMDYUINLAD-UHFFFAOYSA-N 0 1 280.375 2.618 20 30 CFEDMN C=C(Cl)CNC[C@H](CC(F)F)NC(=O)OC(C)(C)C ZINC000865471640 638358539 /nfs/dbraw/zinc/35/85/39/638358539.db2.gz PZNSCHNMJPZMBR-VIFPVBQESA-N 0 1 298.761 2.877 20 30 CFEDMN C=C[C@@H]1OCCC[C@H]1NCc1cccnc1Br ZINC000865590754 638445001 /nfs/dbraw/zinc/44/50/01/638445001.db2.gz ZRISSMKNTVEFFH-NEPJUHHUSA-N 0 1 297.196 2.667 20 30 CFEDMN C=CCC[C@@H](CO)NCc1nccc(C)c1Br ZINC000865593136 638447649 /nfs/dbraw/zinc/44/76/49/638447649.db2.gz JHIFLXDOIJPOQT-NSHDSACASA-N 0 1 299.212 2.569 20 30 CFEDMN CC(C)(CC#N)CNCc1cc2c(cc[nH]c2=O)o1 ZINC000865599328 638450025 /nfs/dbraw/zinc/45/00/25/638450025.db2.gz GWUZPZQDLYGEFT-UHFFFAOYSA-N 0 1 259.309 2.563 20 30 CFEDMN N#CC(C(=O)[C@@H]1CCOc2ccccc21)c1ccccn1 ZINC000077559222 650431747 /nfs/dbraw/zinc/43/17/47/650431747.db2.gz LJQZJENGBNECGX-ZIAGYGMSSA-N 0 1 278.311 2.824 20 30 CFEDMN C[C@H](C#N)Oc1ccc(CN[C@@H](C)c2ccnn2C)cc1 ZINC000865838907 638604475 /nfs/dbraw/zinc/60/44/75/638604475.db2.gz PHDJYGVLSYJCHV-OLZOCXBDSA-N 0 1 284.363 2.562 20 30 CFEDMN C#CCCOc1ccc(CN[C@H]2CCCn3nccc32)cc1 ZINC000865872769 638632020 /nfs/dbraw/zinc/63/20/20/638632020.db2.gz UQUPDPLZSTVQQQ-KRWDZBQOSA-N 0 1 295.386 2.910 20 30 CFEDMN C=C[C@@H]1OCC[C@H]1CN[C@@H]1c2ccccc2OC[C@H]1F ZINC000866379770 638810054 /nfs/dbraw/zinc/81/00/54/638810054.db2.gz TVHYTNUFHOLJNY-ZGMNHVEMSA-N 0 1 277.339 2.639 20 30 CFEDMN C[C@@H](N[C@@H]1Cc2ccc(C#N)cc2C1)c1cscn1 ZINC000866618090 638856012 /nfs/dbraw/zinc/85/60/12/638856012.db2.gz VMUJIJPJBDYGAT-QMTHXVAHSA-N 0 1 269.373 2.833 20 30 CFEDMN C[C@@H](N[C@H]1Cc2ccc(C#N)cc2C1)c1cscn1 ZINC000866618091 638856231 /nfs/dbraw/zinc/85/62/31/638856231.db2.gz VMUJIJPJBDYGAT-YGRLFVJLSA-N 0 1 269.373 2.833 20 30 CFEDMN CC[C@@H]1CCCCN1C(=O)[C@H]1NCCc2cc(C#N)ccc21 ZINC000867941512 638906989 /nfs/dbraw/zinc/90/69/89/638906989.db2.gz GSGPIMLHPIGFPI-WBVHZDCISA-N 0 1 297.402 2.536 20 30 CFEDMN CC[C@@H]1CCCCN1C(=O)[C@@H]1NCCc2cc(C#N)ccc21 ZINC000867941510 638907223 /nfs/dbraw/zinc/90/72/23/638907223.db2.gz GSGPIMLHPIGFPI-NVXWUHKLSA-N 0 1 297.402 2.536 20 30 CFEDMN CC[C@@H]1CC[C@@H](C)N1C(=O)[C@H]1NCCc2cc(C#N)ccc21 ZINC000867977427 638910294 /nfs/dbraw/zinc/91/02/94/638910294.db2.gz HCKAXDCYUHEXCO-VMGRFDJRSA-N 0 1 297.402 2.535 20 30 CFEDMN CN(CCC(C)(C)C)C(=O)[C@H]1NCCc2cc(C#N)ccc21 ZINC000867981644 638910542 /nfs/dbraw/zinc/91/05/42/638910542.db2.gz WHRFXYXWHWXENG-INIZCTEOSA-N 0 1 299.418 2.640 20 30 CFEDMN C[C@@H]1CCC[C@@H](CC(=O)C(C#N)C(=O)Nc2ccccn2)C1 ZINC000122433456 639029669 /nfs/dbraw/zinc/02/96/69/639029669.db2.gz CSUPCGQXBZEHNR-MGPQQGTHSA-N 0 1 299.374 2.945 20 30 CFEDMN C#CCN1CCC(C(=O)OCCCSC(C)(C)C)CC1 ZINC000869398621 639210971 /nfs/dbraw/zinc/21/09/71/639210971.db2.gz NURNCLOZFPLFFN-UHFFFAOYSA-N 0 1 297.464 2.797 20 30 CFEDMN CC(C)(C)n1cc(/C=C/C(=O)c2cc(F)ccc2O)nn1 ZINC000191319566 650489734 /nfs/dbraw/zinc/48/97/34/650489734.db2.gz OPPUAWBHBIOIKT-FNORWQNLSA-N 0 1 289.310 2.774 20 30 CFEDMN N#CC(C(=O)C1([C@H]2CCCCO2)CCC1)c1ccccn1 ZINC000870136143 639527424 /nfs/dbraw/zinc/52/74/24/639527424.db2.gz IETLFVCMQBQOTO-UKRRQHHQSA-N 0 1 284.359 2.997 20 30 CFEDMN N#Cc1cccc(ONC(=O)CC2=CCCCC2)c1 ZINC000870692723 639774575 /nfs/dbraw/zinc/77/45/75/639774575.db2.gz LXIRCHJBXPQKMJ-UHFFFAOYSA-N 0 1 256.305 2.859 20 30 CFEDMN N#Cc1cccc(ONC(=O)[C@H]2CC23CCCC3)c1 ZINC000870693039 639775692 /nfs/dbraw/zinc/77/56/92/639775692.db2.gz VZDXFDQVQVHDPD-CYBMUJFWSA-N 0 1 256.305 2.549 20 30 CFEDMN CC(C)[C@H](C)C(=O)Nc1nc2ccc(C#N)cc2[nH]1 ZINC000871070603 641184960 /nfs/dbraw/zinc/18/49/60/641184960.db2.gz NKZAQKSGHXTJDJ-VIFPVBQESA-N 0 1 256.309 2.665 20 30 CFEDMN CO[C@@H](C(=O)Nc1nc2ccc(C#N)cc2[nH]1)C1CCCC1 ZINC000871072053 641186385 /nfs/dbraw/zinc/18/63/85/641186385.db2.gz HNZCLBBXWSUHMC-CQSZACIVSA-N 0 1 298.346 2.578 20 30 CFEDMN C[C@@H]1CC[C@@H](CCC(=O)Nc2nc3ccc(C#N)cc3[nH]2)O1 ZINC000871073377 641188043 /nfs/dbraw/zinc/18/80/43/641188043.db2.gz ZIUXQSBQTBMFLZ-PWSUYJOCSA-N 0 1 298.346 2.721 20 30 CFEDMN Cc1ccc(CN2CC[C@H](NC(=O)C#CC(C)(C)C)C2)cc1 ZINC000871188690 641235105 /nfs/dbraw/zinc/23/51/05/641235105.db2.gz RZKIGPNLKZFJPQ-KRWDZBQOSA-N 0 1 298.430 2.735 20 30 CFEDMN CCCCCNC(=O)C(C#N)C(=O)CSC(C)(C)C ZINC000193377592 650648552 /nfs/dbraw/zinc/64/85/52/650648552.db2.gz XNBCCIIPNCUFOP-NSHDSACASA-N 0 1 284.425 2.533 20 30 CFEDMN N#C[C@H](C(=O)CSc1nc(C2CC2)n[nH]1)c1ccccc1 ZINC000871645472 641380596 /nfs/dbraw/zinc/38/05/96/641380596.db2.gz VJMNMQCXBWNJPF-LBPRGKRZSA-N 0 1 298.371 2.651 20 30 CFEDMN N#C[C@H](C(=O)CSc1n[nH]c(C2CC2)n1)c1ccccc1 ZINC000871645472 641380601 /nfs/dbraw/zinc/38/06/01/641380601.db2.gz VJMNMQCXBWNJPF-LBPRGKRZSA-N 0 1 298.371 2.651 20 30 CFEDMN Cc1[nH]n(-c2ccc(F)cc2C)c(=O)c1CCC#N ZINC000871947769 641522628 /nfs/dbraw/zinc/52/26/28/641522628.db2.gz CZJCIAWOUDYMFD-LBPRGKRZSA-N 0 1 259.284 2.777 20 30 CFEDMN CCO[C@H](C)C(=O)C(C#N)c1nc(C(C)C)cs1 ZINC000080459620 650675654 /nfs/dbraw/zinc/67/56/54/650675654.db2.gz PLVASNGPVOMTSU-NXEZZACHSA-N 0 1 266.366 2.868 20 30 CFEDMN C#CC[C@H]1CCC[N@H+](Cc2cc(C(=O)[O-])cs2)C1 ZINC000872160451 641680351 /nfs/dbraw/zinc/68/03/51/641680351.db2.gz HBKQLJXAHGVUJB-NSHDSACASA-N 0 1 263.362 2.682 20 30 CFEDMN C#CC[C@@H]1CCC[N@H+](Cc2cc(C(=O)[O-])cs2)C1 ZINC000872160450 641680815 /nfs/dbraw/zinc/68/08/15/641680815.db2.gz HBKQLJXAHGVUJB-LLVKDONJSA-N 0 1 263.362 2.682 20 30 CFEDMN C#CC[C@@H]1CCC[N@H+]([C@@H](C(=O)[O-])c2cccc(OC)c2)C1 ZINC000872160138 641681177 /nfs/dbraw/zinc/68/11/77/641681177.db2.gz BFRQPHDPJGBZCI-CZUORRHYSA-N 0 1 287.359 2.556 20 30 CFEDMN C=CCCC[N@H+]1CCc2c(C(=O)[O-])ccc(OC)c2C1 ZINC000872166969 641687141 /nfs/dbraw/zinc/68/71/41/641687141.db2.gz YWZKNTBZXOUEKX-UHFFFAOYSA-N 0 1 275.348 2.718 20 30 CFEDMN CSCCCCC(=O)C(C#N)C(=O)NC1CCCCC1 ZINC000123978207 641697925 /nfs/dbraw/zinc/69/79/25/641697925.db2.gz UILFOVRZQFZQPS-ZDUSSCGKSA-N 0 1 296.436 2.677 20 30 CFEDMN N#CCCN[C@@H]1[C@H]2Cc3ccc(Br)cc3[C@@H]12 ZINC000872238399 641712600 /nfs/dbraw/zinc/71/26/00/641712600.db2.gz GZWHKULKJOEGDD-YNEHKIRRSA-N 0 1 277.165 2.590 20 30 CFEDMN N#Cc1cccc(CN2CCC[C@H](OC3CCC3)CC2)n1 ZINC000872259193 641723041 /nfs/dbraw/zinc/72/30/41/641723041.db2.gz OARGLZHMSBLUTB-KRWDZBQOSA-N 0 1 285.391 2.877 20 30 CFEDMN CCCn1cc(C=NNc2ccc(C(F)(F)F)cn2)nn1 ZINC000872327971 641757713 /nfs/dbraw/zinc/75/77/13/641757713.db2.gz NPJQPGXYPRPZAV-UHFFFAOYSA-N 0 1 298.272 2.548 20 30 CFEDMN C=CCC1(C=Nn2cc(Br)cn2)CCOCC1 ZINC000872359538 641766825 /nfs/dbraw/zinc/76/68/25/641766825.db2.gz IHEOMWOMAAHYGS-UHFFFAOYSA-N 0 1 298.184 2.852 20 30 CFEDMN C1CCC(ON=C2CCCN3CCSC[C@@H]23)CC1 ZINC000872366074 641772555 /nfs/dbraw/zinc/77/25/55/641772555.db2.gz PELXNODQQOYYIT-AWEZNQCLSA-N 0 1 268.426 2.903 20 30 CFEDMN COc1c(C)cnc(CN=Nc2ncccc2C)c1C ZINC000872368020 641774668 /nfs/dbraw/zinc/77/46/68/641774668.db2.gz AZDBBRXTGGOXPV-UHFFFAOYSA-N 0 1 270.336 2.856 20 30 CFEDMN CCc1ccc(C(C)=NN=c2cc(C)[nH]c(N)n2)cc1 ZINC000872420383 641805647 /nfs/dbraw/zinc/80/56/47/641805647.db2.gz PVFZHNASYFEUFM-UHFFFAOYSA-N 0 1 269.352 2.766 20 30 CFEDMN CC(C)c1cc([C@H]2CCCN(c3cc(C#N)ncn3)C2)[nH]n1 ZINC000872647654 641885098 /nfs/dbraw/zinc/88/50/98/641885098.db2.gz HYNXOMJVJWDNPG-LBPRGKRZSA-N 0 1 296.378 2.579 20 30 CFEDMN C[C@@](O)(CNCc1cccc(F)c1C#N)c1ccsc1 ZINC000873059815 641998849 /nfs/dbraw/zinc/99/88/49/641998849.db2.gz ZGJBOXMVRGEVGM-OAHLLOKOSA-N 0 1 290.363 2.756 20 30 CFEDMN C=CCCNC(=O)N1CCC[C@@H](c2cc(C(C)C)[nH]n2)C1 ZINC000873063727 641999847 /nfs/dbraw/zinc/99/98/47/641999847.db2.gz ZZHWNQMJRABUEW-CYBMUJFWSA-N 0 1 290.411 2.998 20 30 CFEDMN C=CC(C)(C)CCCNCc1ncnn1C(C)C ZINC000873151387 642032578 /nfs/dbraw/zinc/03/25/78/642032578.db2.gz ILNIDGNBVQLWGC-UHFFFAOYSA-N 0 1 250.390 2.941 20 30 CFEDMN CN(C)c1ccc(C#N)cc1CN(C)C[C@H]1CCCCO1 ZINC000876634562 642952343 /nfs/dbraw/zinc/95/23/43/642952343.db2.gz VOCJKUVGWPPEGE-MRXNPFEDSA-N 0 1 287.407 2.625 20 30 CFEDMN COc1ccc(CNCc2ccsc2)cc1C#N ZINC000087824267 650806017 /nfs/dbraw/zinc/80/60/17/650806017.db2.gz KFNRDFKBMQEFRE-UHFFFAOYSA-N 0 1 258.346 2.918 20 30 CFEDMN COc1ccc(CN[C@H](C)c2ccncc2)cc1C#N ZINC000087822489 650806253 /nfs/dbraw/zinc/80/62/53/650806253.db2.gz PATJRNUBSRHBEP-GFCCVEGCSA-N 0 1 267.332 2.813 20 30 CFEDMN C=C(Cl)C[C@H](N)C(=O)Nc1cccc(C(=O)CC)c1 ZINC000876875586 643044899 /nfs/dbraw/zinc/04/48/99/643044899.db2.gz WOMDPEJYXVBHBP-LBPRGKRZSA-N 0 1 280.755 2.688 20 30 CFEDMN C=C1CCN(C(=O)[C@H](N)c2cccc(C(F)(F)F)c2)CC1 ZINC000876943986 643073794 /nfs/dbraw/zinc/07/37/94/643073794.db2.gz KVHUZLZAXQDAJQ-CYBMUJFWSA-N 0 1 298.308 2.884 20 30 CFEDMN CCCC[C@@H](COC)NCc1cc(C#N)cnc1Cl ZINC000877050696 643121638 /nfs/dbraw/zinc/12/16/38/643121638.db2.gz NKCCJXXSPGJVKI-ZDUSSCGKSA-N 0 1 281.787 2.901 20 30 CFEDMN CCC(O)(CC)CCNCc1cc(C#N)cnc1Cl ZINC000877470757 643289179 /nfs/dbraw/zinc/28/91/79/643289179.db2.gz JKEZEBUTUVATCI-UHFFFAOYSA-N 0 1 281.787 2.637 20 30 CFEDMN C#C[C@H](NCc1cc(OC)c(O)cc1Cl)C(C)C ZINC000877513422 643319805 /nfs/dbraw/zinc/31/98/05/643319805.db2.gz VPHWTVRDVNHTDU-LBPRGKRZSA-N 0 1 267.756 2.802 20 30 CFEDMN C#CCCCCCCN(C)[C@H]1CC(C)(C)OC1=O ZINC000877548901 643350125 /nfs/dbraw/zinc/35/01/25/643350125.db2.gz WHKRCBQVVCNWEJ-ZDUSSCGKSA-N 0 1 251.370 2.596 20 30 CFEDMN CO[C@H]([C@H](C)NCc1cc(C#N)cnc1Cl)C1CC1 ZINC000877572546 643372064 /nfs/dbraw/zinc/37/20/64/643372064.db2.gz IMTQFDLMJTWMPR-TVQRCGJNSA-N 0 1 279.771 2.510 20 30 CFEDMN CC(C)(C)OC(=O)NCC1(CN2CC(CC#N)C2)CCC1 ZINC000877624973 643410350 /nfs/dbraw/zinc/41/03/50/643410350.db2.gz JUAQHDZLKUQJHT-UHFFFAOYSA-N 0 1 293.411 2.527 20 30 CFEDMN C#CCOc1ccc(CNc2cc(OC)ccn2)cc1 ZINC000089806220 650854872 /nfs/dbraw/zinc/85/48/72/650854872.db2.gz UICBMTQJSOXRCR-UHFFFAOYSA-N 0 1 268.316 2.714 20 30 CFEDMN C#CCCCCCN1CCN(CC(F)(F)C(F)F)CC1 ZINC000878105730 643737968 /nfs/dbraw/zinc/73/79/68/643737968.db2.gz HSEHSKXMXRTWSI-UHFFFAOYSA-N 0 1 294.336 2.698 20 30 CFEDMN C[C@@H]1CCC[C@H](C(=O)C(C#N)C(=O)NCc2ccccc2)C1 ZINC000246580286 650874919 /nfs/dbraw/zinc/87/49/19/650874919.db2.gz OARXGZSOVQVEIP-KBMXLJTQSA-N 0 1 298.386 2.838 20 30 CFEDMN N#Cc1ccc(CN2CCC[C@@H](c3cccnc3)C2)o1 ZINC000878754663 644015478 /nfs/dbraw/zinc/01/54/78/644015478.db2.gz OOJJJEBDPREZMT-CQSZACIVSA-N 0 1 267.332 2.926 20 30 CFEDMN C[C@H]1CN(CCOC2CCCCCC2)C[C@H](C)N1CC#N ZINC000878774667 644023306 /nfs/dbraw/zinc/02/33/06/644023306.db2.gz VKBOEYVQOFGJPF-HOTGVXAUSA-N 0 1 293.455 2.644 20 30 CFEDMN C#C[C@H]1CCCN(CC[C@](C#N)(C(C)=O)c2ccccc2)C1 ZINC000878843978 644047441 /nfs/dbraw/zinc/04/74/41/644047441.db2.gz OGPLVKPHOQDQPT-HKUYNNGSSA-N 0 1 294.398 2.772 20 30 CFEDMN C#CCCN1CCN(CCc2ccccc2Cl)CC1 ZINC000127366714 644051569 /nfs/dbraw/zinc/05/15/69/644051569.db2.gz HUSQOACIQHWRCR-UHFFFAOYSA-N 0 1 276.811 2.523 20 30 CFEDMN CC(=O)Nc1cccc2c1CN([C@@H](C)CCC#N)CC2 ZINC000879237049 644184287 /nfs/dbraw/zinc/18/42/87/644184287.db2.gz DISILCVWXVNLLN-LBPRGKRZSA-N 0 1 271.364 2.695 20 30 CFEDMN CN(CCCNC(=O)OC(C)(C)C)[C@H]1CCC[C@@H]1C#N ZINC000879309718 644217553 /nfs/dbraw/zinc/21/75/53/644217553.db2.gz PTAKHSKZFHUARP-OLZOCXBDSA-N 0 1 281.400 2.525 20 30 CFEDMN CN(C)c1ccc(CN(C)[C@H]2CCC[C@@H]2C#N)cc1 ZINC000879310618 644218745 /nfs/dbraw/zinc/21/87/45/644218745.db2.gz XOVFERANWRKJTD-ZBFHGGJFSA-N 0 1 257.381 2.877 20 30 CFEDMN C=CCCC[C@H](C)NC(=O)[C@@H]1c2cn[nH]c2CC[C@@H]1C ZINC000879391957 644254950 /nfs/dbraw/zinc/25/49/50/644254950.db2.gz QPYIKVZGEYNSIT-HUBLWGQQSA-N 0 1 275.396 2.937 20 30 CFEDMN COC(=O)C[C@@](C)(NCc1ccc(F)cc1C#N)C1CC1 ZINC000879441648 644273016 /nfs/dbraw/zinc/27/30/16/644273016.db2.gz ZAZYKTHLQROBOY-MRXNPFEDSA-N 0 1 290.338 2.519 20 30 CFEDMN Cc1[nH]nc2cc(NC(=O)C#Cc3ccccc3)ccc12 ZINC000091827014 650909240 /nfs/dbraw/zinc/90/92/40/650909240.db2.gz RXNGYKURFMFAFS-UHFFFAOYSA-N 0 1 275.311 2.862 20 30 CFEDMN CC#CCN1CCC(c2nc(C3CCC3)no2)CC1 ZINC000879550059 644315467 /nfs/dbraw/zinc/31/54/67/644315467.db2.gz CRWPBDAIFZLBIW-UHFFFAOYSA-N 0 1 259.353 2.540 20 30 CFEDMN C[C@@H](CCC#N)N1CC[C@@H](C(F)(F)F)O[C@H](C)C1 ZINC000880062309 644519000 /nfs/dbraw/zinc/51/90/00/644519000.db2.gz LBBALVIUZBSVBE-AXFHLTTASA-N 0 1 264.291 2.720 20 30 CFEDMN C=CCC(C)(C)CNC(=O)[C@@H]1c2cn[nH]c2CC[C@H]1C ZINC000880112229 644535030 /nfs/dbraw/zinc/53/50/30/644535030.db2.gz KZBRHNGUKFZSMB-RISCZKNCSA-N 0 1 275.396 2.794 20 30 CFEDMN C#CC[N@@H+]1CCCSC[C@H]1c1ccccc1OC ZINC000880172950 644563073 /nfs/dbraw/zinc/56/30/73/644563073.db2.gz DYDXJBANAPJMCC-AWEZNQCLSA-N 0 1 261.390 2.808 20 30 CFEDMN C#CCN1CCCSC[C@H]1c1ccccc1OC ZINC000880172950 644563076 /nfs/dbraw/zinc/56/30/76/644563076.db2.gz DYDXJBANAPJMCC-AWEZNQCLSA-N 0 1 261.390 2.808 20 30 CFEDMN N#Cc1ccc(CN2CCC[C@@H](CF)C2)c([N+](=O)[O-])c1 ZINC000880238860 644602026 /nfs/dbraw/zinc/60/20/26/644602026.db2.gz XYRFUILJYNDVHR-LBPRGKRZSA-N 0 1 277.299 2.648 20 30 CFEDMN C#CCC1(O)CCN(CCOc2ccccc2Cl)CC1 ZINC000880477255 644730028 /nfs/dbraw/zinc/73/00/28/644730028.db2.gz DGMWXMJDSPSVBE-UHFFFAOYSA-N 0 1 293.794 2.569 20 30 CFEDMN CCCCCCCC[C@H](C)C(=O)NCc1n[nH]c(=O)n1C ZINC000880649568 644797046 /nfs/dbraw/zinc/79/70/46/644797046.db2.gz CUOKPCJLTQQAAX-LBPRGKRZSA-N 0 1 296.415 2.524 20 30 CFEDMN C=CCCC(C)(C)NC(=O)[C@@H]1c2cn[nH]c2CC[C@@H]1C ZINC000880769306 644833899 /nfs/dbraw/zinc/83/38/99/644833899.db2.gz ZJKFEMIQPVWNMA-FZMZJTMJSA-N 0 1 275.396 2.937 20 30 CFEDMN COc1cccc(CCCON=C(N)C(C)C)c1 ZINC000128619387 644839282 /nfs/dbraw/zinc/83/92/82/644839282.db2.gz BICZNFKVWUUFAF-UHFFFAOYSA-N 0 1 250.342 2.573 20 30 CFEDMN C=CC[C@@H](C(=O)NC[C@H]1CCN1CC)c1ccccc1 ZINC000882493019 645343091 /nfs/dbraw/zinc/34/30/91/645343091.db2.gz WUFGJARTVHDFKT-HZPDHXFCSA-N 0 1 272.392 2.557 20 30 CFEDMN C[C@H](c1ccccc1)N1CCN(c2ccncc2C#N)CC1 ZINC000882811222 645469182 /nfs/dbraw/zinc/46/91/82/645469182.db2.gz PDJSJCKUGVOJKQ-OAHLLOKOSA-N 0 1 292.386 2.836 20 30 CFEDMN C#CC[C@@H](CO)NCc1ccc(-c2cccc(F)c2F)o1 ZINC000883124530 645614416 /nfs/dbraw/zinc/61/44/16/645614416.db2.gz IRDCKNZVOVFKET-NSHDSACASA-N 0 1 291.297 2.699 20 30 CFEDMN C=C(C)C[C@@H](CO)NCc1ccnc(Cl)c1Cl ZINC000883400217 645796618 /nfs/dbraw/zinc/79/66/18/645796618.db2.gz HHAYQKSEENDBSH-JTQLQIEISA-N 0 1 275.179 2.805 20 30 CFEDMN C=C(C)C[C@H](CO)NCc1ncc(C(C)(C)C)s1 ZINC000883400183 645796651 /nfs/dbraw/zinc/79/66/51/645796651.db2.gz GKVYJNKVYJHUNJ-LLVKDONJSA-N 0 1 268.426 2.857 20 30 CFEDMN CC1(C)CCC(C(=O)C(C#N)C(=O)N2CCCC2)CC1 ZINC000131955726 645853894 /nfs/dbraw/zinc/85/38/94/645853894.db2.gz AQENPRKSCKCCTI-CYBMUJFWSA-N 0 1 276.380 2.534 20 30 CFEDMN Cc1cccc(C(=O)Nc2cc(C#N)ccc2O)c1F ZINC000133725421 646217248 /nfs/dbraw/zinc/21/72/48/646217248.db2.gz IOSQZCXQSLWGAS-UHFFFAOYSA-N 0 1 270.263 2.964 20 30 CFEDMN C=CC[C@H]1CCN(C(=O)[C@@H](N)Cc2cc3ccccc3o2)C1 ZINC000884429515 646353132 /nfs/dbraw/zinc/35/31/32/646353132.db2.gz LORWIJUTTQVGTD-BBRMVZONSA-N 0 1 298.386 2.727 20 30 CFEDMN C#CCSCCNCc1ncc(C(C)C)s1 ZINC000134852803 646391648 /nfs/dbraw/zinc/39/16/48/646391648.db2.gz WSIHZLDKCNSDCH-UHFFFAOYSA-N 0 1 254.424 2.723 20 30 CFEDMN C=CC(C)(C)CC(=O)OCc1nnc(C(C)(C)C)[nH]1 ZINC000884648599 646505676 /nfs/dbraw/zinc/50/56/76/646505676.db2.gz CKSVIPNAHAHLPB-UHFFFAOYSA-N 0 1 265.357 2.748 20 30 CFEDMN C=CC(C)(C)CC(=O)OCc1n[nH]c(C(C)(C)C)n1 ZINC000884648599 646505678 /nfs/dbraw/zinc/50/56/78/646505678.db2.gz CKSVIPNAHAHLPB-UHFFFAOYSA-N 0 1 265.357 2.748 20 30 CFEDMN C=CC(C)(C)CC(=O)OCc1nc(C(C)C)n[nH]1 ZINC000884648681 646506102 /nfs/dbraw/zinc/50/61/02/646506102.db2.gz FAIDMNFYFQUZIN-UHFFFAOYSA-N 0 1 251.330 2.574 20 30 CFEDMN C=CC(C)(C)CC(=O)OCc1n[nH]c(C(C)C)n1 ZINC000884648681 646506106 /nfs/dbraw/zinc/50/61/06/646506106.db2.gz FAIDMNFYFQUZIN-UHFFFAOYSA-N 0 1 251.330 2.574 20 30 CFEDMN Cc1nc(C2CCN(c3nccc(C)c3C#N)CC2)[nH]c1C ZINC000884706866 646534709 /nfs/dbraw/zinc/53/47/09/646534709.db2.gz QPIVPVSLESPQEI-UHFFFAOYSA-N 0 1 295.390 2.986 20 30 CFEDMN C[C@@H]1CCc2[nH]ncc2[C@H]1C(=O)OCc1cccc(C#N)c1 ZINC000885259155 646650133 /nfs/dbraw/zinc/65/01/33/646650133.db2.gz KSLGLDRNFIAPEZ-BZNIZROVSA-N 0 1 295.342 2.691 20 30 CFEDMN C=C(Br)COC(=O)[C@@H]1c2cn[nH]c2CC[C@@H]1C ZINC000885263302 646652482 /nfs/dbraw/zinc/65/24/82/646652482.db2.gz SCYVPOPZTDCJHG-CPCISQLKSA-N 0 1 299.168 2.527 20 30 CFEDMN C#CCN1CC[N@@H+](Cc2ccc(C)nc2)C[C@H]1[C@H](C)CC ZINC000135872038 646661622 /nfs/dbraw/zinc/66/16/22/646661622.db2.gz WOTXTLVEYXGYAA-QAPCUYQASA-N 0 1 285.435 2.556 20 30 CFEDMN C#Cc1ccc(NC(=O)[C@H](CC)N(C)C)c(Cl)c1 ZINC000885670326 646733685 /nfs/dbraw/zinc/73/36/85/646733685.db2.gz ZKJCKKVDKANJKN-ZDUSSCGKSA-N 0 1 264.756 2.600 20 30 CFEDMN C=CCN(Cc1ccc(OC)cc1)C[C@](C)(O)C(F)F ZINC000885962580 646785774 /nfs/dbraw/zinc/78/57/74/646785774.db2.gz CDMJJKSKKKSTIY-HNNXBMFYSA-N 0 1 285.334 2.699 20 30 CFEDMN C#C[C@H](NC/C=C\c1cccc(F)c1)[C@H]1CCCO1 ZINC000886070911 646854165 /nfs/dbraw/zinc/85/41/65/646854165.db2.gz XXGBPMVBULGMCO-CGXDKWGCSA-N 0 1 259.324 2.609 20 30 CFEDMN Cc1cnc([C@@H](C)NC[C@H](O)CC2(C#N)CCC2)s1 ZINC000886131629 646887619 /nfs/dbraw/zinc/88/76/19/646887619.db2.gz CIMMNRPVMTUIBT-VXGBXAGGSA-N 0 1 279.409 2.547 20 30 CFEDMN CC1(C)CN(C[C@H](O)CC2(C#N)CCC2)[C@@H]1c1cccnc1 ZINC000886289608 646956651 /nfs/dbraw/zinc/95/66/51/646956651.db2.gz ZEIRAUDYYKNHNT-HZPDHXFCSA-N 0 1 299.418 2.909 20 30 CFEDMN C#CC[C@H]1CC[N@H+]([C@@H](C)C(=O)N2CCCc3ccccc32)C1 ZINC000886354029 646983180 /nfs/dbraw/zinc/98/31/80/646983180.db2.gz UWRGLWIDDDJSML-HOTGVXAUSA-N 0 1 296.414 2.700 20 30 CFEDMN C#CC[C@H]1CC[N@@H+](Cc2nnc(-c3ccccc3)o2)C1 ZINC000886353082 646983389 /nfs/dbraw/zinc/98/33/89/646983389.db2.gz BDFUVTDLSWKEIG-ZDUSSCGKSA-N 0 1 267.332 2.582 20 30 CFEDMN C#CC[C@H]1CCN(Cc2nnc(-c3ccccc3)o2)C1 ZINC000886353082 646983392 /nfs/dbraw/zinc/98/33/92/646983392.db2.gz BDFUVTDLSWKEIG-ZDUSSCGKSA-N 0 1 267.332 2.582 20 30 CFEDMN C#CC[C@H]1CCN(CC(=O)Nc2ccccc2CC)C1 ZINC000886354283 646984652 /nfs/dbraw/zinc/98/46/52/646984652.db2.gz ZBBGSDMDXWOROA-AWEZNQCLSA-N 0 1 270.376 2.533 20 30 CFEDMN C#CC[C@@H]1CCN(CC(=O)Nc2c(C)cccc2CC)C1 ZINC000886356277 646985483 /nfs/dbraw/zinc/98/54/83/646985483.db2.gz XHKKRPGQVRDZLI-OAHLLOKOSA-N 0 1 284.403 2.841 20 30 CFEDMN C#CC[C@H]1CCN(Cc2cnc(OC)c(Cl)c2)C1 ZINC000886362644 646987536 /nfs/dbraw/zinc/98/75/36/646987536.db2.gz IBBFULOYIOQZIL-NSHDSACASA-N 0 1 264.756 2.589 20 30 CFEDMN C#CC[C@@H]1CCN(Cc2nc(-c3ccccc3F)no2)C1 ZINC000886363743 646987594 /nfs/dbraw/zinc/98/75/94/646987594.db2.gz AYYJUMMJSCTRGC-GFCCVEGCSA-N 0 1 285.322 2.721 20 30 CFEDMN C=CCn1cc2ccc(NC(=O)CN(C)CCC)cc2n1 ZINC000886647638 647087172 /nfs/dbraw/zinc/08/71/72/647087172.db2.gz WLQPLZQQKDBXMF-UHFFFAOYSA-N 0 1 286.379 2.503 20 30 CFEDMN C#CCC1(NC(=O)c2ccc3cncn3c2)CCCCC1 ZINC000886656151 647091955 /nfs/dbraw/zinc/09/19/55/647091955.db2.gz SZCNUKMTTMKLPS-UHFFFAOYSA-N 0 1 281.359 2.790 20 30 CFEDMN C=CCC1(O)CCN(Cc2c(C)cc(C)nc2OC)CC1 ZINC000886778654 647134031 /nfs/dbraw/zinc/13/40/31/647134031.db2.gz MQTGWARUDRCCHY-UHFFFAOYSA-N 0 1 290.407 2.610 20 30 CFEDMN C[C@H](c1cccc(C#N)c1)N1CC[C@@](CO)(C(F)(F)F)C1 ZINC000886808529 647147807 /nfs/dbraw/zinc/14/78/07/647147807.db2.gz KWDGMFGASZUMNQ-BXUZGUMPSA-N 0 1 298.308 2.866 20 30 CFEDMN C[C@@H](C(=O)N(CCC#N)c1ccccc1)N(C)CCCF ZINC000887140162 647228943 /nfs/dbraw/zinc/22/89/43/647228943.db2.gz SNWXDIVIJQYSNU-AWEZNQCLSA-N 0 1 291.370 2.613 20 30 CFEDMN C[C@H](N[C@@H]1CC[C@H](C#N)C1)c1cn2c(n1)CCCC2 ZINC000926615951 648551962 /nfs/dbraw/zinc/55/19/62/648551962.db2.gz QKGARQUVXVVIGN-RWMBFGLXSA-N 0 1 258.369 2.562 20 30 CFEDMN N#C[C@H]1CCCN(C(=O)c2cn[nH]c2-c2ccccc2F)C1 ZINC000928220570 648875808 /nfs/dbraw/zinc/87/58/08/648875808.db2.gz KGOPBDGAFMVPHG-LLVKDONJSA-N 0 1 298.321 2.592 20 30 CFEDMN C#CCN1CCC(NC(=O)/C(F)=C\C2CCCCC2)CC1 ZINC000928653576 648939074 /nfs/dbraw/zinc/93/90/74/648939074.db2.gz RBSRKFJAAUBRDY-DTQAZKPQSA-N 0 1 292.398 2.634 20 30 CFEDMN C#CCN1CCC(NC(=O)CCCC2CCCCC2)CC1 ZINC000928661014 648939482 /nfs/dbraw/zinc/93/94/82/648939482.db2.gz KJNKZGWHJPSOPQ-UHFFFAOYSA-N 0 1 290.451 2.951 20 30 CFEDMN CCc1oc2ccccc2c1CN(C)C[C@H](O)CC#N ZINC000929096897 648977790 /nfs/dbraw/zinc/97/77/90/648977790.db2.gz JITORLAEKYSPJA-GFCCVEGCSA-N 0 1 272.348 2.702 20 30 CFEDMN Cc1cc(C#N)cc(C)c1CN1CCOCC1(C)C ZINC000929348562 649036739 /nfs/dbraw/zinc/03/67/39/649036739.db2.gz QZMFKKQXXBOGDT-UHFFFAOYSA-N 0 1 258.365 2.786 20 30 CFEDMN C[C@H](O)[C@@H]1CCCCN1Cc1cc(Cl)cc(C#N)c1 ZINC000929594347 649073302 /nfs/dbraw/zinc/07/33/02/649073302.db2.gz CVWPEIUCIDNMNB-NHYWBVRUSA-N 0 1 278.783 2.947 20 30 CFEDMN CCN(CCC#N)C[C@@H]1CC[C@H](NC(=O)OC(C)(C)C)C1 ZINC000929774073 649117522 /nfs/dbraw/zinc/11/75/22/649117522.db2.gz ICRHCQQEBIDLQY-KGLIPLIRSA-N 0 1 295.427 2.915 20 30 CFEDMN C[C@@H]1OCCN(CCCCC2(C#N)CCC2)[C@H]1C ZINC000929842061 649136984 /nfs/dbraw/zinc/13/69/84/649136984.db2.gz BKKSYEPFAXTZFG-KBPBESRZSA-N 0 1 250.386 2.960 20 30 CFEDMN COc1ccccc1[C@@H](CC(C)C)NC[C@H](O)CC#N ZINC000930232727 649211213 /nfs/dbraw/zinc/21/12/13/649211213.db2.gz HKNUWMPGDFNUBX-UKRRQHHQSA-N 0 1 276.380 2.647 20 30 CFEDMN N#CC[C@@]1(O)CC[N@@H+](C[C@H]2CCC3(CCCCCC3)O2)C1 ZINC000930819232 649331085 /nfs/dbraw/zinc/33/10/85/649331085.db2.gz UXCVYYVHYPXKSH-HZPDHXFCSA-N 0 1 292.423 2.609 20 30 CFEDMN C=CC[C@@H]1CCCC[C@H]1NCc1nnc(OC)s1 ZINC000930918924 649349331 /nfs/dbraw/zinc/34/93/31/649349331.db2.gz DVTIRBIJHVFYGV-GHMZBOCLSA-N 0 1 267.398 2.771 20 30 CFEDMN C[C@H](C1CC1)N1CCN(c2ccsc2C#N)CC1 ZINC000930928661 649351555 /nfs/dbraw/zinc/35/15/55/649351555.db2.gz HKGYXHDWFSIHOC-LLVKDONJSA-N 0 1 261.394 2.540 20 30 CFEDMN N#Cc1cc(Cl)cc(CN2CC[C@H]3COC[C@H]3C2)c1 ZINC000931060302 649372897 /nfs/dbraw/zinc/37/28/97/649372897.db2.gz SVUBCDXMVSRZFB-UONOGXRCSA-N 0 1 276.767 2.680 20 30 CFEDMN C#CC1(O)CCN(Cc2cc(C(C)C)ccc2OC)CC1 ZINC000931150799 649387814 /nfs/dbraw/zinc/38/78/14/649387814.db2.gz ATXCFUMXLJLJGK-UHFFFAOYSA-N 0 1 287.403 2.779 20 30 CFEDMN Cc1cc(C#N)cc(C)c1CN1CCO[C@@H]2CCC[C@@H]21 ZINC000931181413 649392149 /nfs/dbraw/zinc/39/21/49/649392149.db2.gz XYFJAJJHTKWQHF-DLBZAZTESA-N 0 1 270.376 2.928 20 30 CFEDMN Cc1cc(C#N)cc(C)c1CN(C)[C@H]1CCCCN(C)C1=O ZINC000931472080 649436407 /nfs/dbraw/zinc/43/64/07/649436407.db2.gz OQSVSSXAIVQASV-KRWDZBQOSA-N 0 1 299.418 2.618 20 30 CFEDMN Cc1csc([C@H]2CCN(Cc3cncc(C#N)c3)C2)n1 ZINC000931614870 649463145 /nfs/dbraw/zinc/46/31/45/649463145.db2.gz GOMLQLWXHSNREP-AWEZNQCLSA-N 0 1 284.388 2.708 20 30 CFEDMN C=CCC1(O)CCN([C@@H](C)c2ccc(F)nc2)CC1 ZINC000931751219 649483692 /nfs/dbraw/zinc/48/36/92/649483692.db2.gz VHQSRDBKJFRGTK-LBPRGKRZSA-N 0 1 264.344 2.685 20 30 CFEDMN Cn1ccc(C2CCN(CC#Cc3ccccc3)CC2)n1 ZINC000932142091 649549252 /nfs/dbraw/zinc/54/92/52/649549252.db2.gz JHABEGPGPJTXJU-UHFFFAOYSA-N 0 1 279.387 2.651 20 30 CFEDMN Cn1nccc1[C@H]1CCCN1CCOc1ccccc1C#N ZINC000932269970 649572266 /nfs/dbraw/zinc/57/22/66/649572266.db2.gz OMZZMCNGUWOPDD-MRXNPFEDSA-N 0 1 296.374 2.508 20 30 CFEDMN C#CC[N@H+](CCC(=O)Nc1ccc(C(C)=O)cc1)C(C)C ZINC000932396107 649593023 /nfs/dbraw/zinc/59/30/23/649593023.db2.gz LGTADEXXJQQKPM-UHFFFAOYSA-N 0 1 286.375 2.561 20 30 CFEDMN C[C@@H]1[C@@H](NC(=O)Nc2ccc(C3CC3)c(C#N)c2)CC[N@H+]1C ZINC000932423290 649597217 /nfs/dbraw/zinc/59/72/17/649597217.db2.gz QWNICEADZPEBJO-BZNIZROVSA-N 0 1 298.390 2.650 20 30 CFEDMN C=C(C)[C@@H](CO)N[C@H](CC)c1cc(F)ccc1OC ZINC000932476166 649607955 /nfs/dbraw/zinc/60/79/55/649607955.db2.gz YKRKPMYJVCASIU-ZIAGYGMSSA-N 0 1 267.344 2.812 20 30 CFEDMN CC(C)(C)c1cc2n(n1)CCN(CCCSCC#N)C2 ZINC000932618668 649629763 /nfs/dbraw/zinc/62/97/63/649629763.db2.gz YBHTYZYQCUABFO-UHFFFAOYSA-N 0 1 292.452 2.643 20 30 CFEDMN CCC#C[C@H](C)N1CC[C@H](c2ncc(C(=O)OC)s2)C1 ZINC000932667340 649634898 /nfs/dbraw/zinc/63/48/98/649634898.db2.gz LZTOPPSYGXMQBN-RYUDHWBXSA-N 0 1 292.404 2.521 20 30 CFEDMN CCC#C[C@@H](C)N1CC[C@@H](c2ncc(C(=O)OC)s2)C1 ZINC000932667341 649635087 /nfs/dbraw/zinc/63/50/87/649635087.db2.gz LZTOPPSYGXMQBN-VXGBXAGGSA-N 0 1 292.404 2.521 20 30 CFEDMN C=CCCCCCN1CCOC[C@@H]1[C@@H]1CC[C@@H](COC)O1 ZINC000933202089 649679332 /nfs/dbraw/zinc/67/93/32/649679332.db2.gz RXLBSVNQDJHQSW-BBWFWOEESA-N 0 1 297.439 2.628 20 30 CFEDMN N#CCc1ccc(CN2CCOC[C@@H]2CC2CC2)cc1 ZINC000933212762 649679843 /nfs/dbraw/zinc/67/98/43/649679843.db2.gz KBKPRZKNEOQDHN-KRWDZBQOSA-N 0 1 270.376 2.754 20 30 CFEDMN CCn1cnc2c1CCN(CC1CCC(C#N)CC1)C2 ZINC000933257475 649683234 /nfs/dbraw/zinc/68/32/34/649683234.db2.gz XSQQUKFHYWXFQQ-UHFFFAOYSA-N 0 1 272.396 2.591 20 30 CFEDMN C#CCC1(NCc2nnc(CC)s2)CCCCC1 ZINC000933266643 649683433 /nfs/dbraw/zinc/68/34/33/649683433.db2.gz XWVAFMAZRMSEFH-UHFFFAOYSA-N 0 1 263.410 2.916 20 30 CFEDMN COCC#CCN[C@H](C)c1cc(Cl)cc2c1OCC2 ZINC000933271285 649684273 /nfs/dbraw/zinc/68/42/73/649684273.db2.gz JVKDWQCPNZGMGW-LLVKDONJSA-N 0 1 279.767 2.575 20 30 CFEDMN Cc1noc(C)c1CCN(C)Cc1cc(C#N)cs1 ZINC000933774492 649721163 /nfs/dbraw/zinc/72/11/63/649721163.db2.gz RXIQYYSLABIZGN-UHFFFAOYSA-N 0 1 275.377 2.899 20 30 CFEDMN C=CCC[C@H](O)CN(C)Cc1cc(-c2ccccc2)n[nH]1 ZINC000934415816 649785029 /nfs/dbraw/zinc/78/50/29/649785029.db2.gz INQKKHMUHPDCEH-INIZCTEOSA-N 0 1 285.391 2.836 20 30 CFEDMN C=CC[C@H]1CCN1[C@@H](C)C(=O)NCc1ccc(C)cc1 ZINC000934471192 649790228 /nfs/dbraw/zinc/79/02/28/649790228.db2.gz IBOLJRCFSIEHEW-HOCLYGCPSA-N 0 1 272.392 2.650 20 30 CFEDMN C=CC[C@@H]1CCN1[C@H](C)C(=O)N[C@@H]1CCCC[C@@H]1C ZINC000934469977 649790435 /nfs/dbraw/zinc/79/04/35/649790435.db2.gz ACSMACALMLNVLR-GBJTYRQASA-N 0 1 264.413 2.720 20 30 CFEDMN C=CC[C@@H]1CCN1[C@@H](C)C(=O)NC1CCC(C)CC1 ZINC000934472211 649791012 /nfs/dbraw/zinc/79/10/12/649791012.db2.gz ZZURHNOTKVRBBW-OOJKYFRXSA-N 0 1 264.413 2.720 20 30 CFEDMN C#C[C@H]1CCCCN1Cc1ccc(OC(C)=O)cc1 ZINC000934515536 649796560 /nfs/dbraw/zinc/79/65/60/649796560.db2.gz VPBZEGGOZWBIPS-HNNXBMFYSA-N 0 1 257.333 2.600 20 30 CFEDMN C=CCCCN(CC)Cc1cccc(S(C)(=O)=O)c1 ZINC000934645351 649810033 /nfs/dbraw/zinc/81/00/33/649810033.db2.gz PGBLADBFXMBKOS-UHFFFAOYSA-N 0 1 281.421 2.878 20 30 CFEDMN C=CCCCN(CC)CC(=O)Nc1sccc1C#N ZINC000934646749 649811787 /nfs/dbraw/zinc/81/17/87/649811787.db2.gz UIWDYUXLBDRWJJ-UHFFFAOYSA-N 0 1 277.393 2.846 20 30 CFEDMN C=C(C)c1cccc(NC(=O)NCCCc2nc[nH]n2)c1 ZINC000934881872 649846848 /nfs/dbraw/zinc/84/68/48/649846848.db2.gz FGGVIJQRVNJRAH-UHFFFAOYSA-N 0 1 285.351 2.592 20 30 CFEDMN C#C[C@H](NCc1cc(Cl)ccc1[N+](=O)[O-])C(C)C ZINC000305909324 651086608 /nfs/dbraw/zinc/08/66/08/651086608.db2.gz HHSOMKVJMWKIJS-LBPRGKRZSA-N 0 1 266.728 2.996 20 30 CFEDMN C=C(C)CN1CCC[C@@H](NC(=O)c2oc(C)cc2C)C1 ZINC001007041688 651131106 /nfs/dbraw/zinc/13/11/06/651131106.db2.gz CCWLUQNVRYUZMP-CQSZACIVSA-N 0 1 276.380 2.667 20 30 CFEDMN C#CCCN1CCC[C@H](NC(=O)c2sccc2Cl)C1 ZINC001007397301 651134421 /nfs/dbraw/zinc/13/44/21/651134421.db2.gz QXCDKBIKBJYOMK-NSHDSACASA-N 0 1 296.823 2.619 20 30 CFEDMN C=C(C)CN1CCC[C@@H](NC(=O)c2cccnc2C2CC2)C1 ZINC001007779576 651138742 /nfs/dbraw/zinc/13/87/42/651138742.db2.gz AUGHWICBEQAXCV-OAHLLOKOSA-N 0 1 299.418 2.729 20 30 CFEDMN C=CCN1CCC[C@@H](NC(=O)c2ccc(C)c(F)c2)C1 ZINC001007866558 651140200 /nfs/dbraw/zinc/14/02/00/651140200.db2.gz QPXTYCOZUJXMNE-CQSZACIVSA-N 0 1 276.355 2.514 20 30 CFEDMN C=C(C)CN1CCC[C@H](NC(=O)C2(C3CC3)CCC2)C1 ZINC001008067731 651142042 /nfs/dbraw/zinc/14/20/42/651142042.db2.gz CYUOWBOFYHEXBR-HNNXBMFYSA-N 0 1 276.424 2.723 20 30 CFEDMN C=CCN1CCC[C@H](NC(=O)C(C)(C)C2CCC2)C1 ZINC001008082028 651142179 /nfs/dbraw/zinc/14/21/79/651142179.db2.gz HDGSBLOKFPHWSY-AWEZNQCLSA-N 0 1 264.413 2.579 20 30 CFEDMN C=CCN1CCC[C@H](NC(=O)c2cccc3ncccc32)C1 ZINC001008118415 651142617 /nfs/dbraw/zinc/14/26/17/651142617.db2.gz DGPCEUQQLQGFKU-AWEZNQCLSA-N 0 1 295.386 2.615 20 30 CFEDMN C=CCN1CCC[C@@H](NC(=O)C[C@H]2CCCC2(F)F)C1 ZINC001008308016 651146300 /nfs/dbraw/zinc/14/63/00/651146300.db2.gz ARKQCRLZSOZXLZ-CHWSQXEVSA-N 0 1 286.366 2.579 20 30 CFEDMN C=C(C)CN1CCC[C@@H](NC(=O)[C@@H]2C[C@H]2c2ccco2)C1 ZINC001008609012 651150955 /nfs/dbraw/zinc/15/09/55/651150955.db2.gz HMRLHEXWMULZBS-RBSFLKMASA-N 0 1 288.391 2.540 20 30 CFEDMN C=CCN1CCC[C@@H](NC(=O)[C@@H](C)c2ccsc2)C1 ZINC001008516286 651150960 /nfs/dbraw/zinc/15/09/60/651150960.db2.gz HANGHACBRWSMGZ-GXTWGEPZSA-N 0 1 278.421 2.618 20 30 CFEDMN C=CCN1CCC[C@H](NC(=O)c2cc(F)cc(Cl)c2)C1 ZINC001008652703 651151423 /nfs/dbraw/zinc/15/14/23/651151423.db2.gz MYHPEBQOLTUUMZ-AWEZNQCLSA-N 0 1 296.773 2.859 20 30 CFEDMN C=C(C)CN1CCC[C@@H](NC(=O)c2cc(C)ccc2F)C1 ZINC001008666149 651152419 /nfs/dbraw/zinc/15/24/19/651152419.db2.gz MVNPRTPLXWTGSP-CQSZACIVSA-N 0 1 290.382 2.904 20 30 CFEDMN C=C(C)CN1CCC[C@H](NC(=O)[C@@H](F)c2ccccc2)C1 ZINC001008698939 651152943 /nfs/dbraw/zinc/15/29/43/651152943.db2.gz ULYRSKQHPRYVPT-HOTGVXAUSA-N 0 1 290.382 2.854 20 30 CFEDMN C=C(C)CN1CCC[C@H](NC(=O)c2cncc(Cl)c2)C1 ZINC001008863493 651154450 /nfs/dbraw/zinc/15/44/50/651154450.db2.gz PAGCPDODFAVCCJ-AWEZNQCLSA-N 0 1 293.798 2.505 20 30 CFEDMN C=CCN1CCC[C@H](NC(=O)c2cc3sccc3[nH]2)C1 ZINC001009085216 651156262 /nfs/dbraw/zinc/15/62/62/651156262.db2.gz BNBQGNQEWQSFHX-NSHDSACASA-N 0 1 289.404 2.610 20 30 CFEDMN C=C(C)CN1CCC[C@@H](NC(=O)c2oc(CC)cc2C)C1 ZINC001009206630 651156963 /nfs/dbraw/zinc/15/69/63/651156963.db2.gz HIAVDTGZOAWWEU-CQSZACIVSA-N 0 1 290.407 2.921 20 30 CFEDMN C=CCN1CCC[C@H](NC(=O)[C@@H](C)c2ccc(C)s2)C1 ZINC001009203364 651157122 /nfs/dbraw/zinc/15/71/22/651157122.db2.gz MNFNGMGYZPIBDL-KBPBESRZSA-N 0 1 292.448 2.927 20 30 CFEDMN C=CCN1CCC[C@H](NC(=O)c2ccc(F)cc2C)C1 ZINC001009290311 651158674 /nfs/dbraw/zinc/15/86/74/651158674.db2.gz WPSWGLPBIHJMIM-AWEZNQCLSA-N 0 1 276.355 2.514 20 30 CFEDMN C=C(C)CN1CCC[C@H](NC(=O)c2c(F)cccc2F)C1 ZINC001009326500 651159342 /nfs/dbraw/zinc/15/93/42/651159342.db2.gz USJUUHDVCDPWMZ-LBPRGKRZSA-N 0 1 294.345 2.735 20 30 CFEDMN C=CCN1CCC[C@H](NC(=O)[C@]2(C)CC=C(C)CC2)C1 ZINC001009615274 651162707 /nfs/dbraw/zinc/16/27/07/651162707.db2.gz ZXQRJVDXYUIVMQ-DOTOQJQBSA-N 0 1 276.424 2.890 20 30 CFEDMN CCOc1ccccc1NC(=O)C(C#N)C(=O)[C@H](C)CC ZINC000113141106 651184683 /nfs/dbraw/zinc/18/46/83/651184683.db2.gz SSDBSLOFJUGDFC-VXGBXAGGSA-N 0 1 288.347 2.779 20 30 CFEDMN C=CCN1CC[C@@H](NC(=O)c2ccc(F)c(C(F)F)c2)C1 ZINC001014479715 651186179 /nfs/dbraw/zinc/18/61/79/651186179.db2.gz UAQDQWXHIZECJW-LLVKDONJSA-N 0 1 298.308 2.753 20 30 CFEDMN C=C(C)CN1CC[C@H](NC(=O)c2cccc(F)c2C)C1 ZINC001014521344 651187921 /nfs/dbraw/zinc/18/79/21/651187921.db2.gz JBXVAWMFJXQTKG-ZDUSSCGKSA-N 0 1 276.355 2.514 20 30 CFEDMN C=CCN1CC[C@H](NC(=O)c2ccccc2C(C)C)C1 ZINC001014648094 651190202 /nfs/dbraw/zinc/19/02/02/651190202.db2.gz NNLNEZFNFBXPAQ-AWEZNQCLSA-N 0 1 272.392 2.800 20 30 CFEDMN C=CCN1CC[C@@H](NC(=O)c2cc(C)c(C)cc2Cl)C1 ZINC001015510004 651202331 /nfs/dbraw/zinc/20/23/31/651202331.db2.gz QNIPZSLYTYVYSI-CYBMUJFWSA-N 0 1 292.810 2.947 20 30 CFEDMN C=C(C)CN1CC[C@@H](NC(=O)c2cc3ccccc3n2C)C1 ZINC001015626799 651206436 /nfs/dbraw/zinc/20/64/36/651206436.db2.gz DOCVHGJAXONRJN-OAHLLOKOSA-N 0 1 297.402 2.559 20 30 CFEDMN C=CCN1CC[C@@H](NC(=O)[C@@H](C)c2ccc(Cl)cc2)C1 ZINC001015649308 651207018 /nfs/dbraw/zinc/20/70/18/651207018.db2.gz RODZWDKHFYFBNH-SWLSCSKDSA-N 0 1 292.810 2.820 20 30 CFEDMN C=CCN1CC[C@H](NC(=O)[C@@H](C)c2ccc(Cl)cc2)C1 ZINC001015649309 651207287 /nfs/dbraw/zinc/20/72/87/651207287.db2.gz RODZWDKHFYFBNH-WFASDCNBSA-N 0 1 292.810 2.820 20 30 CFEDMN C=CCN1CC[C@H](NC(=O)c2ccccc2C2(C)CC2)C1 ZINC001015690725 651210041 /nfs/dbraw/zinc/21/00/41/651210041.db2.gz WYEWUQASOMHCCC-AWEZNQCLSA-N 0 1 284.403 2.728 20 30 CFEDMN C=C(C)CN1CC[C@@H](NC(=O)c2cccc(F)c2Cl)C1 ZINC001015752126 651212329 /nfs/dbraw/zinc/21/23/29/651212329.db2.gz BBVBXJDPEVFPRS-LLVKDONJSA-N 0 1 296.773 2.859 20 30 CFEDMN C=CCN1CC[C@@H](NC(=O)[C@]2(c3ccccc3)CC2(C)C)C1 ZINC001015893094 651217329 /nfs/dbraw/zinc/21/73/29/651217329.db2.gz IGGZQBJBLXNBJX-VQIMIIECSA-N 0 1 298.430 2.731 20 30 CFEDMN C=C(C)CN1CC[C@@H](NC(=O)c2cc(CC(C)C)c[nH]2)C1 ZINC001016004826 651220813 /nfs/dbraw/zinc/22/08/13/651220813.db2.gz HGPJGDMWKOXLOZ-OAHLLOKOSA-N 0 1 289.423 2.593 20 30 CFEDMN C=C(C)CN1CC[C@@H](NC(=O)c2ccc(Cl)cc2)C1 ZINC001016064943 651222554 /nfs/dbraw/zinc/22/25/54/651222554.db2.gz AIGMZHGDZOWNFE-CQSZACIVSA-N 0 1 278.783 2.720 20 30 CFEDMN C=CCN1CC[C@@H](NC(=O)c2cccc(Cl)c2Cl)C1 ZINC001016087547 651224165 /nfs/dbraw/zinc/22/41/65/651224165.db2.gz HTYOCDPQPYMDKK-SNVBAGLBSA-N 0 1 299.201 2.984 20 30 CFEDMN C=CCN1CC[C@H](NC(=O)c2ccccc2C2CCC2)C1 ZINC001016132238 651225219 /nfs/dbraw/zinc/22/52/19/651225219.db2.gz FJGQJUADEHHAJF-HNNXBMFYSA-N 0 1 284.403 2.944 20 30 CFEDMN C=CCN1CC[C@H](NC(=O)c2cc(C)n(C(C)C)c2C)C1 ZINC001016215254 651228047 /nfs/dbraw/zinc/22/80/47/651228047.db2.gz DMDVQGJBPZAOPR-HNNXBMFYSA-N 0 1 289.423 2.676 20 30 CFEDMN C=C(C)CN1CC[C@H](NC(=O)c2sccc2CC)C1 ZINC001016327659 651230291 /nfs/dbraw/zinc/23/02/91/651230291.db2.gz OMRRTPLDFNZESB-ZDUSSCGKSA-N 0 1 278.421 2.691 20 30 CFEDMN C=CCCN1C[C@H]2CC[C@@H](C1)N2C(=O)c1cccc(F)c1 ZINC001017314661 651249462 /nfs/dbraw/zinc/24/94/62/651249462.db2.gz DTYHBVOIOHJUEZ-IYBDPMFKSA-N 0 1 288.366 2.691 20 30 CFEDMN C=CCCN1C[C@H]2CC[C@@H](C1)N2C(=O)c1ccsc1 ZINC001017335983 651249936 /nfs/dbraw/zinc/24/99/36/651249936.db2.gz YXRPOCUOFYXWQJ-OKILXGFUSA-N 0 1 276.405 2.613 20 30 CFEDMN C=C(C)CN1C[C@H]2CC[C@@H](C1)N2C(=O)Cc1ccsc1 ZINC001017321453 651249946 /nfs/dbraw/zinc/24/99/46/651249946.db2.gz JHRHIUZAKNWLKC-GASCZTMLSA-N 0 1 290.432 2.542 20 30 CFEDMN C=CCCN1C[C@H]2CC[C@@H](C1)N2C(=O)c1[nH]ccc1C1CC1 ZINC001017610453 651254948 /nfs/dbraw/zinc/25/49/48/651254948.db2.gz XAGQPPCZQVANPR-GASCZTMLSA-N 0 1 299.418 2.757 20 30 CFEDMN C=C(C)CCN1C[C@H]2CC[C@@H](C1)N2C(=O)C1(F)CCCC1 ZINC001017690565 651256073 /nfs/dbraw/zinc/25/60/73/651256073.db2.gz HRTZYNYCZBNPLK-GASCZTMLSA-N 0 1 294.414 2.910 20 30 CFEDMN C=CCCN1C[C@H]2CC[C@@H](C1)N2C(=O)c1ncccc1CC ZINC001017691946 651256098 /nfs/dbraw/zinc/25/60/98/651256098.db2.gz VNGHNYTVJJXMAV-IYBDPMFKSA-N 0 1 299.418 2.509 20 30 CFEDMN C=CCCN1C[C@H]2CC[C@@H](C1)N2C(=O)c1ncc(C)cc1C ZINC001017756445 651257325 /nfs/dbraw/zinc/25/73/25/651257325.db2.gz MFMJNJFDBHWNIO-IYBDPMFKSA-N 0 1 299.418 2.563 20 30 CFEDMN C#CCCN1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1CCC[C@H](C)C1 ZINC001017862647 651260084 /nfs/dbraw/zinc/26/00/84/651260084.db2.gz GFKMVLSOSWXTMJ-VVLHAWIVSA-N 0 1 288.435 2.511 20 30 CFEDMN COc1ccccc1NC(=O)C(C#N)C(=O)CCC1CC1 ZINC000115904681 651277748 /nfs/dbraw/zinc/27/77/48/651277748.db2.gz LGBBBWUUSCRFPA-LBPRGKRZSA-N 0 1 286.331 2.533 20 30 CFEDMN C=C(Cl)CN[C@H]1CCN(C(=O)[C@H]2CCCC2(C)C)C1 ZINC001019255775 651282236 /nfs/dbraw/zinc/28/22/36/651282236.db2.gz KVQVQMQLWRQRCP-QWHCGFSZSA-N 0 1 284.831 2.756 20 30 CFEDMN C=C(Cl)CN[C@H]1CCN(C(=O)CC2CC(C)(C)C2)C1 ZINC001019278517 651282797 /nfs/dbraw/zinc/28/27/97/651282797.db2.gz JKMAYFWYZRTMFT-ZDUSSCGKSA-N 0 1 284.831 2.756 20 30 CFEDMN C=C[C@@](C)(CC)C(=O)N1CC[C@H](NCC(=C)Cl)C1 ZINC001019332608 651283208 /nfs/dbraw/zinc/28/32/08/651283208.db2.gz SDITXOQTUJBNQA-JSGCOSHPSA-N 0 1 270.804 2.532 20 30 CFEDMN C=C[C@](C)(CC)C(=O)N1CC[C@H](NCC(=C)Cl)C1 ZINC001019332607 651283300 /nfs/dbraw/zinc/28/33/00/651283300.db2.gz SDITXOQTUJBNQA-GXTWGEPZSA-N 0 1 270.804 2.532 20 30 CFEDMN C=C(Cl)CN[C@H]1CCN(C(=O)c2cc(C)cc(C)c2)C1 ZINC001019704223 651289688 /nfs/dbraw/zinc/28/96/88/651289688.db2.gz JECVFKPLGNMHRF-HNNXBMFYSA-N 0 1 292.810 2.860 20 30 CFEDMN C=CCC[N@@H+]1CC[C@H]1CN(C)C(=O)[C@@H]1C[C@H]1C1CCC1 ZINC001085867604 782189892 /nfs/dbraw/zinc/18/98/92/782189892.db2.gz QQYXLDMGOOZDQV-HRCADAONSA-N 0 1 276.424 2.531 20 30 CFEDMN C=C(C)CN1CC[C@H]1CN(C)C(=O)[C@@H]1C[C@H]1C1CCC1 ZINC001085867834 782190224 /nfs/dbraw/zinc/19/02/24/782190224.db2.gz XBZLFHUMJUFAIJ-HRCADAONSA-N 0 1 276.424 2.531 20 30 CFEDMN C=C(C)C[N@@H+]1CC[C@H]1CN(C)C(=O)[C@@H]1C[C@H]1C1CCC1 ZINC001085867834 782190218 /nfs/dbraw/zinc/19/02/18/782190218.db2.gz XBZLFHUMJUFAIJ-HRCADAONSA-N 0 1 276.424 2.531 20 30 CFEDMN C=CCC[N@@H+]1CC[C@H]1CN(C)C(=O)[C@H]1CC12CCCC2 ZINC001085910244 782201968 /nfs/dbraw/zinc/20/19/68/782201968.db2.gz BONYKPBJGMRROD-LSDHHAIUSA-N 0 1 276.424 2.676 20 30 CFEDMN C#CCCN1CC[C@H]1CN(C)C(=O)C1CCC(C)(C)CC1 ZINC001085993946 782234401 /nfs/dbraw/zinc/23/44/01/782234401.db2.gz YGCPIURIQCFZDY-INIZCTEOSA-N 0 1 290.451 2.759 20 30 CFEDMN CCOc1cc(-c2cc3[nH]cnc3c(C#N)n2)ccc1OC ZINC001243539136 782262387 /nfs/dbraw/zinc/26/23/87/782262387.db2.gz QCLOXUQAPSRHOU-UHFFFAOYSA-N 0 1 294.314 2.904 20 30 CFEDMN CCC#C[C@H](C)Oc1[nH]c(=O)nc2cccc(OC)c21 ZINC001229240846 776762355 /nfs/dbraw/zinc/76/23/55/776762355.db2.gz YTGRJNSOWYZVFL-JTQLQIEISA-N 0 1 272.304 2.525 20 30 CFEDMN CC#CC[C@H](CC)Oc1[nH]c(=O)nc2cccc(OC)c21 ZINC001229239248 776762508 /nfs/dbraw/zinc/76/25/08/776762508.db2.gz LMWUYVBHSZQLEL-NSHDSACASA-N 0 1 286.331 2.915 20 30 CFEDMN C#CCN[C@@H](CNC(=O)C1(CC)CC1)c1ccccc1CC ZINC001271444917 777857404 /nfs/dbraw/zinc/85/74/04/777857404.db2.gz CHJFYQUCJVJFNP-KRWDZBQOSA-N 0 1 298.430 2.819 20 30 CFEDMN C=CCN1CC[C@@H](N(C)C(=O)[C@H]2CCC(C)(C)C2)C1 ZINC001033393481 780671047 /nfs/dbraw/zinc/67/10/47/780671047.db2.gz JIXQUGBRDPESBA-UONOGXRCSA-N 0 1 264.413 2.531 20 30 CFEDMN C=CCN1CC[C@@H](N(CC)C(=O)c2ccc(F)c(C)c2)C1 ZINC001033936227 780834770 /nfs/dbraw/zinc/83/47/70/780834770.db2.gz NNOZYLVPMBQLPO-OAHLLOKOSA-N 0 1 290.382 2.857 20 30 CFEDMN CC#CCN1CCCC[C@H](NC(=O)C2=CCCCCC2)C1 ZINC001034176498 780912576 /nfs/dbraw/zinc/91/25/76/780912576.db2.gz VGNXGZLLWOKNJC-KRWDZBQOSA-N 0 1 288.435 2.871 20 30 CFEDMN C=CCN1CCCC[C@@H](NC(=O)c2cccnc2C2CC2)C1 ZINC001034288083 780938909 /nfs/dbraw/zinc/93/89/09/780938909.db2.gz DRVAGIGDFIPDOH-OAHLLOKOSA-N 0 1 299.418 2.729 20 30 CFEDMN C=CCCC(=O)N[C@H]1CCN(CCCCC(F)(F)F)C1 ZINC001266308650 769949971 /nfs/dbraw/zinc/94/99/71/769949971.db2.gz ZOBBVGLAEBXCQY-LBPRGKRZSA-N 0 1 292.345 2.876 20 30 CFEDMN CC(C)(C)OC(=O)N1CC[C@H]1CN1CCC[C@@H](CC#N)C1 ZINC001208995572 769969675 /nfs/dbraw/zinc/96/96/75/769969675.db2.gz VOYPXFKFZDLNSA-KBPBESRZSA-N 0 1 293.411 2.621 20 30 CFEDMN C=CCCCN1CCN(c2ccc(C(C)=O)cc2)CC1 ZINC001209160085 770006720 /nfs/dbraw/zinc/00/67/20/770006720.db2.gz DBUWIXTXOHFEHH-UHFFFAOYSA-N 0 1 272.392 2.977 20 30 CFEDMN C=CCCCN1CC[C@@H](NC(=O)OC(C)(C)C)[C@@H](F)C1 ZINC001209160064 770007280 /nfs/dbraw/zinc/00/72/80/770007280.db2.gz BFHQRWHFDALHFS-QWHCGFSZSA-N 0 1 286.391 2.890 20 30 CFEDMN C=CCC[C@@H](C(=O)NCCN(C)CC#CC)c1ccccc1 ZINC001266367818 770038648 /nfs/dbraw/zinc/03/86/48/770038648.db2.gz MXKNBSMMYCJSPO-GOSISDBHSA-N 0 1 298.430 2.808 20 30 CFEDMN CC#CCN1CCC(N(CCC)C(=O)C2CC=CC2)CC1 ZINC001266384680 770057332 /nfs/dbraw/zinc/05/73/32/770057332.db2.gz RHHYXJWHVGBZOH-UHFFFAOYSA-N 0 1 288.435 2.679 20 30 CFEDMN CCCCN(CC#N)c1nc[nH]c2nc(=S)sc1-2 ZINC001167132164 770078145 /nfs/dbraw/zinc/07/81/45/770078145.db2.gz AWCDZGBMZCVHLX-UHFFFAOYSA-N 0 1 279.394 2.505 20 30 CFEDMN CC#CCN(CC)CCNC(=O)[C@]1(C)CCC[C@@H]1CC ZINC001266398623 770086249 /nfs/dbraw/zinc/08/62/49/770086249.db2.gz BDOVZHXXYGGCMG-DOTOQJQBSA-N 0 1 278.440 2.664 20 30 CFEDMN C#CCN(CC)CCNC(=O)CCC1CCCCCC1 ZINC001266403562 770098517 /nfs/dbraw/zinc/09/85/17/770098517.db2.gz XOBOPRFUXNBKLP-UHFFFAOYSA-N 0 1 278.440 2.808 20 30 CFEDMN CC#CCN1CCC[C@H]1CNC(=O)[C@H](CC)CCCC ZINC001266446290 770163563 /nfs/dbraw/zinc/16/35/63/770163563.db2.gz COHKGYCPKOQIJW-CVEARBPZSA-N 0 1 278.440 2.807 20 30 CFEDMN C=CCCCCCN1C[C@H]2CC[C@@H](C1)N2C(=O)[C@H](C)C#N ZINC001266481217 770199888 /nfs/dbraw/zinc/19/98/88/770199888.db2.gz LTZCZPYAHGIFRI-OAGGEKHMSA-N 0 1 289.423 2.568 20 30 CFEDMN C#CCN1CCC[C@H]1CNC(=O)C1(CC(C)C)CCCC1 ZINC001266487363 770202895 /nfs/dbraw/zinc/20/28/95/770202895.db2.gz ZXKKQEDCIMJNMN-INIZCTEOSA-N 0 1 290.451 2.807 20 30 CFEDMN C#CCN1CCC[C@@H]1CNC(=O)[C@@H](C)CCC(C)(C)C ZINC001266488909 770203292 /nfs/dbraw/zinc/20/32/92/770203292.db2.gz RXTLLCWTUHVWFW-LSDHHAIUSA-N 0 1 278.440 2.663 20 30 CFEDMN N#Cc1cc(Nc2cccc(F)c2O)c(O)cc1F ZINC001210202635 770232460 /nfs/dbraw/zinc/23/24/60/770232460.db2.gz SSSQHMWRGSEQME-UHFFFAOYSA-N 0 1 262.215 2.991 20 30 CFEDMN CCCCCC(=O)N(C)CCNCC#Cc1ccccc1 ZINC001266643202 770477629 /nfs/dbraw/zinc/47/76/29/770477629.db2.gz SFOJZFCEHLZBLL-UHFFFAOYSA-N 0 1 286.419 2.666 20 30 CFEDMN C#Cc1ccc(Nc2cc3[nH]ncc3c(F)c2)cn1 ZINC001215556746 770506626 /nfs/dbraw/zinc/50/66/26/770506626.db2.gz ZHTZIQDWCKOTAS-UHFFFAOYSA-N 0 1 252.252 2.822 20 30 CFEDMN C=CCN1CC[C@H]2CC[C@@H](C1)N2C(=O)c1ccoc1CC ZINC001039368739 770552924 /nfs/dbraw/zinc/55/29/24/770552924.db2.gz GCFSWMDMNZQESR-KGLIPLIRSA-N 0 1 288.391 2.707 20 30 CFEDMN C=C(Cl)CNCCN(C)C(=O)c1cc2ccsc2[nH]1 ZINC001266793720 770615035 /nfs/dbraw/zinc/61/50/35/770615035.db2.gz DFBZBFSFSSWFPT-UHFFFAOYSA-N 0 1 297.811 2.644 20 30 CFEDMN C=C(Cl)CNCCN(C)C(=O)c1ccn(C(C)C)c1C ZINC001266813137 770638076 /nfs/dbraw/zinc/63/80/76/770638076.db2.gz FYHAEVLTQBBSQJ-UHFFFAOYSA-N 0 1 297.830 2.792 20 30 CFEDMN C=C(Cl)CNCCN(C)C(=O)[C@@H]1CCC[C@H](C)C1 ZINC001266820325 770644530 /nfs/dbraw/zinc/64/45/30/770644530.db2.gz UXDIMXDNXOZSLR-WCQYABFASA-N 0 1 272.820 2.613 20 30 CFEDMN C=CCN1CCCC[C@H]1CNC(=O)C(C)(C)C(C)C ZINC001266842963 770666941 /nfs/dbraw/zinc/66/69/41/770666941.db2.gz YCSCQZNICPOETH-AWEZNQCLSA-N 0 1 266.429 2.825 20 30 CFEDMN C=C(C)CCN1CC[C@@H]1CNC(=O)c1cc(C)cs1 ZINC001038243082 773195474 /nfs/dbraw/zinc/19/54/74/773195474.db2.gz RDBHHCZOYLYZGY-CYBMUJFWSA-N 0 1 278.421 2.827 20 30 CFEDMN CC#CCN(CC)CCNC(=O)CCCC1CCCC1 ZINC001267257212 775109620 /nfs/dbraw/zinc/10/96/20/775109620.db2.gz RUSQDGCCFKWINV-UHFFFAOYSA-N 0 1 278.440 2.808 20 30 CFEDMN C#CCN1CCC[C@H]1CNC(=O)CC1CCC(C)(C)CC1 ZINC001267282877 775150940 /nfs/dbraw/zinc/15/09/40/775150940.db2.gz HGANAUZZPMDBQX-INIZCTEOSA-N 0 1 290.451 2.807 20 30 CFEDMN CCCCC(=O)NC[C@H]1CCN(CC#Cc2ccccc2)C1 ZINC001267289901 775159629 /nfs/dbraw/zinc/15/96/29/775159629.db2.gz VBJXUPUMEFXQPO-GOSISDBHSA-N 0 1 298.430 2.666 20 30 CFEDMN CC#CCO[C@@H]1CCN(Cc2ccc(Cl)cc2)C1 ZINC001224358731 775166509 /nfs/dbraw/zinc/16/65/09/775166509.db2.gz LARNTTQKGPHFJQ-OAHLLOKOSA-N 0 1 263.768 2.954 20 30 CFEDMN C=C(C)C(=O)NCCCNc1cc(OC(C)(C)C)ccn1 ZINC001167671898 775170040 /nfs/dbraw/zinc/17/00/40/775170040.db2.gz PVDJNYBYYKEAOC-UHFFFAOYSA-N 0 1 291.395 2.753 20 30 CFEDMN C=C(C)CN1CC[C@@H]1CNC(=O)[C@H](C)Cc1ccccc1 ZINC001276977376 775209615 /nfs/dbraw/zinc/20/96/15/775209615.db2.gz HSQQUQZMAAGVQC-NVXWUHKLSA-N 0 1 286.419 2.632 20 30 CFEDMN C=C(C)[C@@H]1CC[C@@H](C)C[C@H]1OCCN1CCN(C)CC1 ZINC001224549830 775217443 /nfs/dbraw/zinc/21/74/43/775217443.db2.gz PVAYBEIYMPZGJG-IXDOHACOSA-N 0 1 280.456 2.631 20 30 CFEDMN C#CCCN1CC[C@H]1CNC(=O)C[C@H]1CCCCC1(C)C ZINC001276986759 775232766 /nfs/dbraw/zinc/23/27/66/775232766.db2.gz ZVOLYYHWWVVFIO-CVEARBPZSA-N 0 1 290.451 2.807 20 30 CFEDMN N#Cc1ccc(CCOC2CCN(CCF)CC2)cc1 ZINC001224654566 775239218 /nfs/dbraw/zinc/23/92/18/775239218.db2.gz YTQQPSWJVRQIQG-UHFFFAOYSA-N 0 1 276.355 2.551 20 30 CFEDMN C=C1O[C@H](CC)C(=O)C1OCCc1ccc(C#N)cc1 ZINC001224656009 775240622 /nfs/dbraw/zinc/24/06/22/775240622.db2.gz RDLHKHUTZHKMGC-CQSZACIVSA-N 0 1 271.316 2.727 20 30 CFEDMN C=C(CO[C@@H]1C[C@@H]2CC(=O)C[C@H]1N2C)c1ccccc1 ZINC001224733983 775261720 /nfs/dbraw/zinc/26/17/20/775261720.db2.gz IEXBZOYPLBCDOX-USXIJHARSA-N 0 1 271.360 2.521 20 30 CFEDMN C=C(CO[C@H]1C[C@@H]2CC(=O)C[C@H]1N2C)c1ccccc1 ZINC001224733982 775261891 /nfs/dbraw/zinc/26/18/91/775261891.db2.gz IEXBZOYPLBCDOX-UAGQMJEPSA-N 0 1 271.360 2.521 20 30 CFEDMN C=C[C@H](CC)CC(=O)N(C)CCNCC=C(Cl)Cl ZINC001267416435 775318773 /nfs/dbraw/zinc/31/87/73/775318773.db2.gz QIVNQFAOKSNFFE-LLVKDONJSA-N 0 1 293.238 2.956 20 30 CFEDMN C=C[C@H](CC)CC(=O)N1C[C@H]2CC[C@@H](C1)N2CC(=C)C ZINC001267424015 775320927 /nfs/dbraw/zinc/32/09/27/775320927.db2.gz ZVFJPNVHEVGXRB-OAGGEKHMSA-N 0 1 276.424 2.840 20 30 CFEDMN C=CCN1CC[C@@H](N(CCC)C(=O)[C@H]2[C@@H]3CCC[C@@H]32)C1 ZINC001267453934 775333645 /nfs/dbraw/zinc/33/36/45/775333645.db2.gz JKXQOYSNGYWUIP-WCVJEAGWSA-N 0 1 276.424 2.531 20 30 CFEDMN C=CCN1CC[C@H](N(CCC)C(=O)CC2(C)CC2)C1 ZINC001267473800 775371255 /nfs/dbraw/zinc/37/12/55/775371255.db2.gz FIYOJELRLBRGHO-AWEZNQCLSA-N 0 1 264.413 2.676 20 30 CFEDMN C=CCN1CC[C@@H](N(CCC)C(=O)[C@@H]2C[C@H]2CCC)C1 ZINC001267481613 775379779 /nfs/dbraw/zinc/37/97/79/775379779.db2.gz JMYQWNROBWMIDX-BZUAXINKSA-N 0 1 278.440 2.922 20 30 CFEDMN CC#CCN[C@@H](CNC(=O)C1CC1)c1ccc(C(C)C)cc1 ZINC001267512356 775406269 /nfs/dbraw/zinc/40/62/69/775406269.db2.gz IGZNSMQQQBLAST-SFHVURJKSA-N 0 1 298.430 2.990 20 30 CFEDMN N#C[C@H](Oc1cc(O)ccc1[N+](=O)[O-])c1ccccc1 ZINC001225489843 775478379 /nfs/dbraw/zinc/47/83/79/775478379.db2.gz CBXAUZALJVVDPY-AWEZNQCLSA-N 0 1 270.244 2.944 20 30 CFEDMN CC#CCN1CCC[C@H]1[C@H]1CCCCN1C(=O)C(C)(F)F ZINC001025196053 775566682 /nfs/dbraw/zinc/56/66/82/775566682.db2.gz QPOUGFNPGORNCS-UONOGXRCSA-N 0 1 298.377 2.510 20 30 CFEDMN COC(=O)Cc1cc(N[C@@H](C)c2cccc(C#N)c2)ccn1 ZINC001167710556 775618213 /nfs/dbraw/zinc/61/82/13/775618213.db2.gz NXIHPVPIMSITKW-LBPRGKRZSA-N 0 1 295.342 2.842 20 30 CFEDMN C=C(Cl)CN1CCC[C@@H]([C@@H](C)NC(=O)c2cc[nH]c2)C1 ZINC001025426550 775654197 /nfs/dbraw/zinc/65/41/97/775654197.db2.gz XCSGGKRQBQDCOT-TZMCWYRMSA-N 0 1 295.814 2.598 20 30 CFEDMN C=CCN1CCC[C@H](NC(=O)[C@@H](C)CCCC)C1 ZINC001267625239 775710178 /nfs/dbraw/zinc/71/01/78/775710178.db2.gz YWKRGAMCWWUADQ-KBPBESRZSA-N 0 1 252.402 2.579 20 30 CFEDMN C=CCN1CCC[C@H](NC(=O)[C@H](C)CCCC)C1 ZINC001267625240 775710539 /nfs/dbraw/zinc/71/05/39/775710539.db2.gz YWKRGAMCWWUADQ-KGLIPLIRSA-N 0 1 252.402 2.579 20 30 CFEDMN C=CCC1(C(=O)NC2CN(CC3CC(C)C3)C2)CCC1 ZINC001267659584 775758089 /nfs/dbraw/zinc/75/80/89/775758089.db2.gz XRXKDMOLYVNVFA-UHFFFAOYSA-N 0 1 276.424 2.579 20 30 CFEDMN C=CCCC(=O)NCC1CN(Cc2ccc(CF)cc2)C1 ZINC001267677188 775771488 /nfs/dbraw/zinc/77/14/88/775771488.db2.gz XNKJOBMOZLNZQB-UHFFFAOYSA-N 0 1 290.382 2.670 20 30 CFEDMN C=CCOc1ccccc1[C@H](C)Oc1nccc(=O)[nH]1 ZINC001226326757 775779691 /nfs/dbraw/zinc/77/96/91/775779691.db2.gz NIWUYKCKVLGGFP-NSHDSACASA-N 0 1 272.304 2.887 20 30 CFEDMN C=CC(C=C)Oc1[nH]c(=O)nc2nc(Cl)ccc21 ZINC001226555043 775871298 /nfs/dbraw/zinc/87/12/98/775871298.db2.gz ATNQLIWHKDENLI-UHFFFAOYSA-N 0 1 263.684 2.503 20 30 CFEDMN CC#C[C@@H](CC)Oc1[nH]c(=O)nc2nc(Cl)ccc21 ZINC001226553600 775871417 /nfs/dbraw/zinc/87/14/17/775871417.db2.gz OYSAUAJMSYTWKD-MRVPVSSYSA-N 0 1 277.711 2.565 20 30 CFEDMN C#C[C@H](CCCC)Oc1[nH]c(=O)nc2nc(Cl)ccc21 ZINC001226555722 775871752 /nfs/dbraw/zinc/87/17/52/775871752.db2.gz FYMRMRCDLMOFQO-SECBINFHSA-N 0 1 291.738 2.955 20 30 CFEDMN C#C[C@H](CC(C)C)Oc1[nH]c(=O)nc2nc(Cl)ccc21 ZINC001226556471 775873370 /nfs/dbraw/zinc/87/33/70/775873370.db2.gz NSMUZPQFMYJPBR-SECBINFHSA-N 0 1 291.738 2.811 20 30 CFEDMN C=CCN1CC[C@@H](NC(=O)[C@H](C)CCCCCC)C1 ZINC001267751266 775881554 /nfs/dbraw/zinc/88/15/54/775881554.db2.gz PZKHQEOMEJISOL-HUUCEWRRSA-N 0 1 266.429 2.969 20 30 CFEDMN Cc1cc(C#N)cc(Cl)c1O[C@@H]1CN2CCC1CC2 ZINC001226596049 775886439 /nfs/dbraw/zinc/88/64/39/775886439.db2.gz UNKVLHNPZYYDOM-CQSZACIVSA-N 0 1 276.767 2.993 20 30 CFEDMN C[C@H](c1ccccn1)N1CC[C@@H](Oc2cncc(C#N)c2)C1 ZINC001226685518 775920158 /nfs/dbraw/zinc/92/01/58/775920158.db2.gz CAZBXKYZVJIRMK-UKRRQHHQSA-N 0 1 294.358 2.563 20 30 CFEDMN C=C[C@@H](C(=O)N(C)[C@@H]1CCN(CC#CC)C1)c1ccccc1 ZINC001267777447 775920578 /nfs/dbraw/zinc/92/05/78/775920578.db2.gz NRQKAVMDUQNKQG-QZTJIDSGSA-N 0 1 296.414 2.512 20 30 CFEDMN C=C(Cl)CN[C@H](CC)CNC(=O)[C@@]1(C)CC=CCC1 ZINC001267808052 775947551 /nfs/dbraw/zinc/94/75/51/775947551.db2.gz JTZBJZNCPWHZKW-HIFRSBDPSA-N 0 1 284.831 2.970 20 30 CFEDMN CC#CC[C@H](CC)Oc1nc(=O)[nH]c(C)c1Br ZINC001226788503 775965392 /nfs/dbraw/zinc/96/53/92/775965392.db2.gz WNEJVIMQARWYBQ-VIFPVBQESA-N 0 1 299.168 2.824 20 30 CFEDMN C=C1O[C@H](CC)C(=O)C1Oc1ccc2nc[nH]c2c1 ZINC001226928744 776019124 /nfs/dbraw/zinc/01/91/24/776019124.db2.gz QFIJQUOPEKUXKE-GFCCVEGCSA-N 0 1 258.277 2.551 20 30 CFEDMN C#CCCCCC(=O)NC1CCN(C[C@H](F)CC)CC1 ZINC001226951664 776032698 /nfs/dbraw/zinc/03/26/98/776032698.db2.gz GEXYWZMBDBUDJV-CQSZACIVSA-N 0 1 282.403 2.509 20 30 CFEDMN C=C(Cl)CN[C@H]1CN(C(=O)CCCCC)C[C@H]1C ZINC001281373924 776074256 /nfs/dbraw/zinc/07/42/56/776074256.db2.gz LOPJQCBQQMQBQO-YPMHNXCESA-N 0 1 272.820 2.756 20 30 CFEDMN Cc1nn(C)cc1[C@H](C)Oc1nc2ccc(C#N)cc2[nH]1 ZINC001227218220 776142598 /nfs/dbraw/zinc/14/25/98/776142598.db2.gz BTZYDLUXDCPYGM-JTQLQIEISA-N 0 1 281.319 2.617 20 30 CFEDMN C=CCN1CC[C@H](c2ccccc2)[C@H](NC(=O)CC)C1 ZINC001087416334 776214403 /nfs/dbraw/zinc/21/44/03/776214403.db2.gz AYCIYMAGEANTTA-HZPDHXFCSA-N 0 1 272.392 2.557 20 30 CFEDMN C=C[C@]1(C)CC[C@@H](C(C)(C)Oc2ncnc3nc[nH]c32)O1 ZINC001227532523 776221094 /nfs/dbraw/zinc/22/10/94/776221094.db2.gz XMILOJKCAUXJII-ZUZCIYMTSA-N 0 1 288.351 2.634 20 30 CFEDMN C=C[C@@]1(C)CC[C@@H](C(C)(C)Oc2ncnc3nc[nH]c32)O1 ZINC001227532520 776221854 /nfs/dbraw/zinc/22/18/54/776221854.db2.gz XMILOJKCAUXJII-BONVTDFDSA-N 0 1 288.351 2.634 20 30 CFEDMN Cc1nnc(=S)[nH]c1O[C@H](CC#N)c1ccccc1 ZINC001227598604 776238835 /nfs/dbraw/zinc/23/88/35/776238835.db2.gz KZGFVPWVGOMECE-LLVKDONJSA-N 0 1 272.333 2.503 20 30 CFEDMN CCCCCCCCN1CCc2cc(C(N)=O)[nH]c2C1 ZINC001277231168 776251861 /nfs/dbraw/zinc/25/18/61/776251861.db2.gz RSWHUMPBVHRYLG-UHFFFAOYSA-N 0 1 277.412 2.832 20 30 CFEDMN N#CC[C@@H]1CCCN(C[C@@H]2CC[C@H](C(F)(F)F)O2)C1 ZINC000721383274 776257688 /nfs/dbraw/zinc/25/76/88/776257688.db2.gz ZAQQGPJJMLEKMV-SDDRHHMPSA-N 0 1 276.302 2.722 20 30 CFEDMN C=CCC[C@H](CC)Oc1nc(=O)[nH]c2c1CO[C@H]2C ZINC001227715852 776268466 /nfs/dbraw/zinc/26/84/66/776268466.db2.gz HRCGTYXKPFOXQB-UWVGGRQHSA-N 0 1 264.325 2.897 20 30 CFEDMN C=C[C@@H](CCCC)Oc1nc(=O)[nH]c2c1CO[C@H]2C ZINC001227716163 776268659 /nfs/dbraw/zinc/26/86/59/776268659.db2.gz LSECSZDQQMYVQJ-UWVGGRQHSA-N 0 1 264.325 2.897 20 30 CFEDMN C=CCN1CC[C@H](c2ccccc2)[C@H](NC(=O)CC2CC2)C1 ZINC001087419840 776313665 /nfs/dbraw/zinc/31/36/65/776313665.db2.gz ZVYQKRQWXVIMNL-QZTJIDSGSA-N 0 1 298.430 2.947 20 30 CFEDMN C=C1O[C@@H](C)C(=O)C1Oc1ccc(F)c(OC)c1F ZINC001227889634 776319093 /nfs/dbraw/zinc/31/90/93/776319093.db2.gz KRJLMKVWHFNQNL-LURJTMIESA-N 0 1 270.231 2.572 20 30 CFEDMN C=C1O[C@@H](CC)C(=O)C1Oc1cnc(F)c(Cl)c1 ZINC001227968957 776344447 /nfs/dbraw/zinc/34/44/47/776344447.db2.gz QHIRXIHQJJSQJD-VIFPVBQESA-N 0 1 271.675 2.862 20 30 CFEDMN Cc1cc(C=O)c(O)c(C(=O)Nc2ccc(F)c(C#N)c2)c1 ZINC001143519054 776365831 /nfs/dbraw/zinc/36/58/31/776365831.db2.gz TWJSYNPBJLQPIH-UHFFFAOYSA-N 0 1 298.273 2.776 20 30 CFEDMN C=CC(=NCOC)NCc1ccc(-n2nc(C)cc2C)cc1 ZINC001167798009 776470109 /nfs/dbraw/zinc/47/01/09/776470109.db2.gz YRDFCLSQCMALRK-UHFFFAOYSA-N 0 1 298.390 2.767 20 30 CFEDMN C=CCOc1ccccc1[C@@H](C)Oc1nc(O)cc(=O)[nH]1 ZINC001228387488 776479193 /nfs/dbraw/zinc/47/91/93/776479193.db2.gz BTKUDOOPOZFZQV-SNVBAGLBSA-N 0 1 288.303 2.593 20 30 CFEDMN CN1[C@@H]2CC[C@H]1C[C@@H](Oc1cccc3c1C(=O)C=CC3=O)C2 ZINC001228470466 776500220 /nfs/dbraw/zinc/50/02/20/776500220.db2.gz MCFRFTLYSJVNGK-ITGUQSILSA-N 0 1 297.354 2.626 20 30 CFEDMN C=CCN1CCC[C@H]1CNC(=O)c1csc(C)c1C ZINC001027907293 776503461 /nfs/dbraw/zinc/50/34/61/776503461.db2.gz VNAMLXWAFBJHGH-ZDUSSCGKSA-N 0 1 278.421 2.745 20 30 CFEDMN CC#CCN1CCC(NC(=O)CCc2cccc(C)c2)CC1 ZINC001228508707 776509827 /nfs/dbraw/zinc/50/98/27/776509827.db2.gz WWNRWCQWYYYFIU-UHFFFAOYSA-N 0 1 298.430 2.532 20 30 CFEDMN CC#CCN1CCC[C@@H]1CNC(=O)[C@@H]1CCC=CCCC1 ZINC001027967666 776532653 /nfs/dbraw/zinc/53/26/53/776532653.db2.gz WVFSPTNLKTVMFC-IAGOWNOFSA-N 0 1 288.435 2.727 20 30 CFEDMN C=C1O[C@@H](C)C(=O)C1Oc1cccnc1C(F)(F)F ZINC001228599072 776533952 /nfs/dbraw/zinc/53/39/52/776533952.db2.gz ZEULIAZUVWHKCD-LURJTMIESA-N 0 1 273.210 2.699 20 30 CFEDMN C=CCCCC(=O)N(C)[C@H](C)CNCc1nc(C)cs1 ZINC001268079819 776545646 /nfs/dbraw/zinc/54/56/46/776545646.db2.gz FSHRNBAOPOMVJJ-CYBMUJFWSA-N 0 1 295.452 2.744 20 30 CFEDMN N#CC[C@@H](Oc1ccc2[nH]nnc2c1)c1ccccc1 ZINC001228663908 776557241 /nfs/dbraw/zinc/55/72/41/776557241.db2.gz IBOLDZZXQLWRNQ-OAHLLOKOSA-N 0 1 264.288 2.992 20 30 CFEDMN C=CC[N@@H+]1CCC[C@H]1CNC(=O)c1ccn(C(C)C)c1C ZINC001028088985 776606408 /nfs/dbraw/zinc/60/64/08/776606408.db2.gz SKFJIOGMGIYJTG-HNNXBMFYSA-N 0 1 289.423 2.758 20 30 CFEDMN C=C[C@@H](CC)CC(=O)NC1CCN(C[C@@H](F)CC)CC1 ZINC001228809931 776619773 /nfs/dbraw/zinc/61/97/73/776619773.db2.gz NIHWTPHZCQAQRV-KBPBESRZSA-N 0 1 284.419 2.917 20 30 CFEDMN C=CCc1ccccc1O[C@@H]1C[C@@H]2CC(=O)C[C@H]1N2C ZINC001228843801 776632025 /nfs/dbraw/zinc/63/20/25/776632025.db2.gz IKCHACDVYNNSBC-YSVLISHTSA-N 0 1 271.360 2.598 20 30 CFEDMN CC#CC[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)[C@H](C)CCC ZINC001277339485 776650361 /nfs/dbraw/zinc/65/03/61/776650361.db2.gz FCGQSWUEYHSZGJ-OAGGEKHMSA-N 0 1 276.424 2.511 20 30 CFEDMN CC#CCN1CC[C@H]2CC[C@@H](C1)N2C(=O)[C@H](C)CCC ZINC001277339485 776650366 /nfs/dbraw/zinc/65/03/66/776650366.db2.gz FCGQSWUEYHSZGJ-OAGGEKHMSA-N 0 1 276.424 2.511 20 30 CFEDMN C=CCN1CCC[C@@H]1CNC(=O)c1cccc(F)c1Cl ZINC001028165320 776674522 /nfs/dbraw/zinc/67/45/22/776674522.db2.gz UHTTTWRXXKQYKZ-LLVKDONJSA-N 0 1 296.773 2.859 20 30 CFEDMN N#C[C@@H](Oc1nnc2c[nH]ccc1-2)c1cccc(F)c1 ZINC001228995773 776682927 /nfs/dbraw/zinc/68/29/27/776682927.db2.gz YHFUHJJIZDWKHF-CYBMUJFWSA-N 0 1 268.251 2.741 20 30 CFEDMN C=CCN1CCC[C@H]1CNC(=O)c1csc(Cl)c1 ZINC001028181305 776683611 /nfs/dbraw/zinc/68/36/11/776683611.db2.gz QVPADQWOAYXMIW-NSHDSACASA-N 0 1 284.812 2.782 20 30 CFEDMN C=CCN1CCC[C@H]1CNC(=O)c1cc([C@@H](C)CC)no1 ZINC001028188323 776691285 /nfs/dbraw/zinc/69/12/85/776691285.db2.gz ZPGVOCFMBWSRHJ-STQMWFEESA-N 0 1 291.395 2.568 20 30 CFEDMN CCN1CC[C@@H](Oc2cccc(C#N)c2Cl)C1 ZINC001229067573 776706923 /nfs/dbraw/zinc/70/69/23/776706923.db2.gz NPLTUFNHYHFGOU-LLVKDONJSA-N 0 1 250.729 2.685 20 30 CFEDMN CC#CCN1CCC[C@H](NC(=O)CCCC2CCCC2)C1 ZINC001268236492 776713490 /nfs/dbraw/zinc/71/34/90/776713490.db2.gz IOBPSAUZIFXTFL-KRWDZBQOSA-N 0 1 290.451 2.951 20 30 CFEDMN C#C[C@H]1CCC[C@@H]1Oc1[nH]c(=O)nc2cc(OC)ccc21 ZINC001229137890 776729912 /nfs/dbraw/zinc/72/99/12/776729912.db2.gz PDVIYHSRZUEVPY-HZMBPMFUSA-N 0 1 284.315 2.525 20 30 CFEDMN C=CCC[C@@H](C)N1CC(NC(=O)C[C@@H]2C[C@H]2C2CC2)C1 ZINC001268351999 776759818 /nfs/dbraw/zinc/75/98/18/776759818.db2.gz UFJJNACARKGLTO-INWMFGNUSA-N 0 1 276.424 2.578 20 30 CFEDMN C=CCN1CCC[C@H]1CNC(=O)c1cc(C)c(CC)o1 ZINC001028257956 776763936 /nfs/dbraw/zinc/76/39/36/776763936.db2.gz JTGWKWQGJZOVHD-ZDUSSCGKSA-N 0 1 276.380 2.531 20 30 CFEDMN CC#C[C@H](CC)Oc1[nH]c(=O)nc2c(C)cccc21 ZINC001229407426 776803098 /nfs/dbraw/zinc/80/30/98/776803098.db2.gz KUDIDTPGTBALSG-NSHDSACASA-N 0 1 256.305 2.825 20 30 CFEDMN CCC#C[C@H](C)Oc1[nH]c(=O)nc2c(C)cccc21 ZINC001229408572 776804806 /nfs/dbraw/zinc/80/48/06/776804806.db2.gz WNYXNIGTKROBRH-NSHDSACASA-N 0 1 256.305 2.825 20 30 CFEDMN CC[C@@H](C#Cc1ccccc1)Oc1nc(C)nc2[nH]cnc21 ZINC001229438336 776810598 /nfs/dbraw/zinc/81/05/98/776810598.db2.gz IMCXQPYQYJTESH-AWEZNQCLSA-N 0 1 292.342 2.870 20 30 CFEDMN C#CCN1CCC[C@H]1CNC(=O)c1cccc2ccccc21 ZINC001028298948 776843642 /nfs/dbraw/zinc/84/36/42/776843642.db2.gz XGAMIFAQXMSVIV-INIZCTEOSA-N 0 1 292.382 2.667 20 30 CFEDMN C=C(C)CN1CCC[C@@H]1CNC(=O)c1sc(C)nc1C ZINC001028305586 776846968 /nfs/dbraw/zinc/84/69/68/776846968.db2.gz RRALPHUVXOBJBM-CYBMUJFWSA-N 0 1 293.436 2.530 20 30 CFEDMN C=CCN1CCC[C@@H]1CNC(=O)c1cc(C)c(CC)s1 ZINC001028304412 776849571 /nfs/dbraw/zinc/84/95/71/776849571.db2.gz SKLCNWKNLMLVES-CYBMUJFWSA-N 0 1 292.448 2.999 20 30 CFEDMN C=CCN1CCC[C@H]1CNC(=O)c1cc(C)c(CC)s1 ZINC001028304414 776849623 /nfs/dbraw/zinc/84/96/23/776849623.db2.gz SKLCNWKNLMLVES-ZDUSSCGKSA-N 0 1 292.448 2.999 20 30 CFEDMN C=CCN1CCC[C@@H]1CNC(=O)c1sccc1CC ZINC001028331131 776857232 /nfs/dbraw/zinc/85/72/32/776857232.db2.gz DAZAFXAEINJWKT-CYBMUJFWSA-N 0 1 278.421 2.691 20 30 CFEDMN CCC1=C(Oc2nc3ccc(OC)cc3[nH]2)C(=O)[C@@H](C)O1 ZINC001229728619 776880979 /nfs/dbraw/zinc/88/09/79/776880979.db2.gz AJTRXJUHKOZMRH-MRVPVSSYSA-N 0 1 288.303 2.560 20 30 CFEDMN C/C(=N\[O-])c1ccccc1OC1CC[NH+](C2CC2)CC1 ZINC001229736635 776883362 /nfs/dbraw/zinc/88/33/62/776883362.db2.gz FVOGUUGVCRVFCT-SFQUDFHCSA-N 0 1 274.364 2.890 20 30 CFEDMN C=C1O[C@@H](C)C(=O)C1Oc1ccc(C(=O)OC)cc1Cl ZINC001229751735 776887386 /nfs/dbraw/zinc/88/73/86/776887386.db2.gz SGOUTJOQHLEMSF-ZETCQYMHSA-N 0 1 296.706 2.725 20 30 CFEDMN C=C(Cl)CNCCN(CC)C(=O)C1CCC=CCC1 ZINC001268498068 776897087 /nfs/dbraw/zinc/89/70/87/776897087.db2.gz JOZZOAVMMKYEOQ-UHFFFAOYSA-N 0 1 284.831 2.923 20 30 CFEDMN C#CCN1CCC(NC(=O)[C@@H](F)CCCCCC)CC1 ZINC001230048524 776949452 /nfs/dbraw/zinc/94/94/52/776949452.db2.gz FQVPUDYXZYVKEF-HNNXBMFYSA-N 0 1 282.403 2.509 20 30 CFEDMN C=C(Cl)CNC/C=C\CNC(=O)CCc1cccs1 ZINC001268623848 777000620 /nfs/dbraw/zinc/00/06/20/777000620.db2.gz SFLNOVSUMLLANK-IHWYPQMZSA-N 0 1 298.839 2.695 20 30 CFEDMN C=C(C)CN1CC[C@H]1CN(C)C(=O)CCCCC ZINC001230775902 777059988 /nfs/dbraw/zinc/05/99/88/777059988.db2.gz MUZKLLMTZGLTGD-AWEZNQCLSA-N 0 1 252.402 2.676 20 30 CFEDMN C=CC(C)(C)C(=O)N[C@H](C)CNCc1cccc(Cl)n1 ZINC001268658534 777011016 /nfs/dbraw/zinc/01/10/16/777011016.db2.gz BAPSNADWTIQXNU-LLVKDONJSA-N 0 1 295.814 2.542 20 30 CFEDMN CC#CCN(C)C[C@H](C)NC(=O)C[C@@H]1CCc2ccccc21 ZINC001268752193 777044558 /nfs/dbraw/zinc/04/45/58/777044558.db2.gz OZUDKQJRYNVXPM-RDJZCZTQSA-N 0 1 298.430 2.566 20 30 CFEDMN CC#CCN(C)C[C@@H](C)NC(=O)C1(C)C(C)(C)C1(C)C ZINC001268762063 777048584 /nfs/dbraw/zinc/04/85/84/777048584.db2.gz HGSORWYDFPMIHH-CYBMUJFWSA-N 0 1 278.440 2.519 20 30 CFEDMN CCCCCCCN1C[C@@H]2C[C@H]1CN2C(=O)[C@H](C)OCC ZINC001268926332 777074812 /nfs/dbraw/zinc/07/48/12/777074812.db2.gz AMNMCQNWURKDRP-JYJNAYRXSA-N 0 1 296.455 2.667 20 30 CFEDMN C#C[C@@H]1CCC[C@H]1Oc1[nH]c(=O)nc2cc(F)ccc21 ZINC001230882998 777080531 /nfs/dbraw/zinc/08/05/31/777080531.db2.gz IKYFYTDRRXKDFW-NOZJJQNGSA-N 0 1 272.279 2.655 20 30 CFEDMN C#CC[C@H](C)Oc1[nH]c(=O)nc2cccc(Cl)c21 ZINC001230886175 777081887 /nfs/dbraw/zinc/08/18/87/777081887.db2.gz PDTWDFHWQKYWBZ-QMMMGPOBSA-N 0 1 262.696 2.779 20 30 CFEDMN C=C1O[C@@H](CC)C(=O)C1Oc1cc(C(=O)OC)ccc1F ZINC001230893985 777085120 /nfs/dbraw/zinc/08/51/20/777085120.db2.gz LPNRWNARHAHNEM-NSHDSACASA-N 0 1 294.278 2.601 20 30 CFEDMN C=C1O[C@@H](CC)C(=O)C1Oc1cc2[nH]ncc2c(F)c1 ZINC001230935523 777098030 /nfs/dbraw/zinc/09/80/30/777098030.db2.gz RCGPTSSNIWQXOQ-LBPRGKRZSA-N 0 1 276.267 2.690 20 30 CFEDMN CC#C[C@@H](CC)Oc1[nH]c(=O)nc2cccc(F)c21 ZINC001231072607 777131900 /nfs/dbraw/zinc/13/19/00/777131900.db2.gz CMRDYABYRBDZHK-SECBINFHSA-N 0 1 260.268 2.655 20 30 CFEDMN N#CC(C(=O)CCCC1CCCCC1)C(=O)NC1CC1 ZINC000129372545 777138921 /nfs/dbraw/zinc/13/89/21/777138921.db2.gz BQMPLLUECNGSKR-AWEZNQCLSA-N 0 1 276.380 2.724 20 30 CFEDMN C=CCN1CC[C@H]1CN(C)C(=O)C[C@@H](C)CCC ZINC001231132321 777151520 /nfs/dbraw/zinc/15/15/20/777151520.db2.gz SCDWUQMOBJQACQ-KBPBESRZSA-N 0 1 252.402 2.531 20 30 CFEDMN C=C(C)CCC(=O)N1CCC2(C1)CCN(CCF)CC2 ZINC001277489817 777153086 /nfs/dbraw/zinc/15/30/86/777153086.db2.gz KZEHEOWWGYEETD-UHFFFAOYSA-N 0 1 282.403 2.627 20 30 CFEDMN C=C(C)CN1CC[C@H]1CNC(=O)[C@H](CC)CCC ZINC001269327758 777171488 /nfs/dbraw/zinc/17/14/88/777171488.db2.gz ZDTULZVSGYPDLW-KGLIPLIRSA-N 0 1 252.402 2.579 20 30 CFEDMN C=C(C)CN1CC[C@@H]1CNC(=O)C[C@H](C)c1ccco1 ZINC001269333013 777172572 /nfs/dbraw/zinc/17/25/72/777172572.db2.gz TVNRJJBKECQTFA-UONOGXRCSA-N 0 1 276.380 2.540 20 30 CFEDMN C#C[C@@H](CCCCC)Oc1nc(C)cc(O)c1[N+](=O)[O-] ZINC001231259361 777179235 /nfs/dbraw/zinc/17/92/35/777179235.db2.gz KIZMQRVAKVODSE-NSHDSACASA-N 0 1 278.308 2.965 20 30 CFEDMN Cc1cc(O)c([N+](=O)[O-])c(O[C@@H](C)CC(C)(C)S)n1 ZINC001231264059 777180428 /nfs/dbraw/zinc/18/04/28/777180428.db2.gz OIPVDXDRCARMQA-QMMMGPOBSA-N 0 1 286.353 2.870 20 30 CFEDMN CCC#C[C@@H](C)Oc1[nH]c(=O)nc2c(OC)cccc21 ZINC001231348156 777198714 /nfs/dbraw/zinc/19/87/14/777198714.db2.gz DKDRATORRZFQBW-SNVBAGLBSA-N 0 1 272.304 2.525 20 30 CFEDMN C#CCN(C)CCN(C(=O)[C@@H]1CCC[C@@H](C)C1)C(C)C ZINC001284543872 777209328 /nfs/dbraw/zinc/20/93/28/777209328.db2.gz AOYARXGCTFURCY-HZPDHXFCSA-N 0 1 278.440 2.615 20 30 CFEDMN CCC[N@H+](CCC#N)Cc1ccc(C(=O)[O-])s1 ZINC001231463608 777227185 /nfs/dbraw/zinc/22/71/85/777227185.db2.gz KGTIIGAPYOUDNJ-UHFFFAOYSA-N 0 1 252.339 2.572 20 30 CFEDMN CCC[N@@H+](CCC#N)Cc1ccc(C(=O)[O-])s1 ZINC001231463608 777227194 /nfs/dbraw/zinc/22/71/94/777227194.db2.gz KGTIIGAPYOUDNJ-UHFFFAOYSA-N 0 1 252.339 2.572 20 30 CFEDMN C=CCCCN1CC(N(C)C(=O)CCC(C)C)C1 ZINC001269750522 777241620 /nfs/dbraw/zinc/24/16/20/777241620.db2.gz DGOPQYUXOXZGBN-UHFFFAOYSA-N 0 1 252.402 2.531 20 30 CFEDMN COCCCOc1ccc(CN2CCC(C#N)CC2)cc1 ZINC001231503468 777243544 /nfs/dbraw/zinc/24/35/44/777243544.db2.gz DCNMAUKCKWHMHL-UHFFFAOYSA-N 0 1 288.391 2.837 20 30 CFEDMN CC(C)Oc1ccc(CN2CCC[C@@H](C#N)CC2)cn1 ZINC001231535234 777256322 /nfs/dbraw/zinc/25/63/22/777256322.db2.gz FRKXLGUEGOCKQC-CQSZACIVSA-N 0 1 273.380 2.994 20 30 CFEDMN CN(CCC#N)Cc1n[nH]c2cc(Br)ccc21 ZINC001231613854 777279950 /nfs/dbraw/zinc/27/99/50/777279950.db2.gz CADDSGPHGBCQDU-UHFFFAOYSA-N 0 1 293.168 2.671 20 30 CFEDMN C#Cc1cccc(CN2CCC[C@H]2c2cnccn2)c1 ZINC001231659389 777297645 /nfs/dbraw/zinc/29/76/45/777297645.db2.gz KSACSMNGXBLTAZ-KRWDZBQOSA-N 0 1 263.344 2.795 20 30 CFEDMN COc1cc(N(C)C)ccc1C[N@H+]1CCC[C@H](CC#N)C1 ZINC001231853430 777351751 /nfs/dbraw/zinc/35/17/51/777351751.db2.gz KGEFRQDTAILUGD-CQSZACIVSA-N 0 1 287.407 2.887 20 30 CFEDMN COc1cc(N(C)C)ccc1CN1CCC[C@H](CC#N)C1 ZINC001231853430 777351756 /nfs/dbraw/zinc/35/17/56/777351756.db2.gz KGEFRQDTAILUGD-CQSZACIVSA-N 0 1 287.407 2.887 20 30 CFEDMN N#C[C@@H]1C[C@H]2CC[C@@H](C1)N2Cc1cc2ccncc2[nH]1 ZINC001232096035 777437993 /nfs/dbraw/zinc/43/79/93/777437993.db2.gz RGSFERSKQGDQOA-UWEBFBLFSA-N 0 1 266.348 2.829 20 30 CFEDMN CCCCCCCN1CC(N(C)C(=O)[C@H]2C[C@@H]2C)C1 ZINC001277644845 777510634 /nfs/dbraw/zinc/51/06/34/777510634.db2.gz OJYHKYWAHLDXCT-ZFWWWQNUSA-N 0 1 266.429 2.755 20 30 CFEDMN CCOc1ccc(CN2CCC[C@@H](C#N)CC2)c(C)n1 ZINC001232313440 777517403 /nfs/dbraw/zinc/51/74/03/777517403.db2.gz YFZXRWNSVUOIBS-CQSZACIVSA-N 0 1 273.380 2.914 20 30 CFEDMN C[C@H](C#N)C(=O)N1C[C@H]2CC[C@@H](C1)N2[C@H](C)c1ccccc1 ZINC001029242970 777549128 /nfs/dbraw/zinc/54/91/28/777549128.db2.gz PSXRTORQQFHVNZ-SRABZTEZSA-N 0 1 297.402 2.582 20 30 CFEDMN C[C@H]1CCN(Cc2cc(C#N)ccn2)CCC1(F)F ZINC001232474693 777574507 /nfs/dbraw/zinc/57/45/07/777574507.db2.gz HYDCWBWJADHXQW-NSHDSACASA-N 0 1 265.307 2.820 20 30 CFEDMN N#CC[C@H]1CCCN(Cc2cncc3cnccc32)C1 ZINC001232651487 777631701 /nfs/dbraw/zinc/63/17/01/777631701.db2.gz HGEFPTBVQPBWES-CYBMUJFWSA-N 0 1 266.348 2.755 20 30 CFEDMN N#CCCN(Cc1c[nH]c2ncncc12)C1CCCC1 ZINC001232657323 777633040 /nfs/dbraw/zinc/63/30/40/777633040.db2.gz SGCQGBRADLMTHO-UHFFFAOYSA-N 0 1 269.352 2.568 20 30 CFEDMN N#Cc1ccc([O-])c(C[N@H+]2CCc3sccc3C2)c1 ZINC001232675587 777638199 /nfs/dbraw/zinc/63/81/99/777638199.db2.gz QKBOHCWIQYXQAD-UHFFFAOYSA-N 0 1 270.357 2.884 20 30 CFEDMN N#Cc1ccc([O-])c(C[N@H+]2CC[C@H](c3cccnc3)C2)c1 ZINC001232678512 777638575 /nfs/dbraw/zinc/63/85/75/777638575.db2.gz BFNAEANNFFZWIQ-HNNXBMFYSA-N 0 1 279.343 2.648 20 30 CFEDMN Cc1nc2c(s1)CN(Cc1cc(C#N)ccc1O)C2 ZINC001232678277 777638597 /nfs/dbraw/zinc/63/85/97/777638597.db2.gz SRJOJXSBHVWXAT-UHFFFAOYSA-N 0 1 271.345 2.545 20 30 CFEDMN N#Cc1ccc([O-])c(C[N@H+]2CC[C@@H]3CCC[C@H]3C2)c1 ZINC001232676084 777638735 /nfs/dbraw/zinc/63/87/35/777638735.db2.gz YKSZFOXBFCGVRE-KBPBESRZSA-N 0 1 256.349 2.886 20 30 CFEDMN C=CCCCCCN1CC(N(C)C(=O)c2c[nH]cc2C)C1 ZINC001277699270 777639092 /nfs/dbraw/zinc/63/90/92/777639092.db2.gz AQNHYDRHVMQATA-UHFFFAOYSA-N 0 1 289.423 2.826 20 30 CFEDMN N#Cc1ccc(O)c(CN2CCc3nc(Cl)ccc3C2)c1 ZINC001232680042 777640325 /nfs/dbraw/zinc/64/03/25/777640325.db2.gz XGHGAKKSKLZMJZ-UHFFFAOYSA-N 0 1 299.761 2.871 20 30 CFEDMN C=CCC1(C(=O)N(C)[C@H](C)CNCC(=C)Cl)CCC1 ZINC001271092639 777648009 /nfs/dbraw/zinc/64/80/09/777648009.db2.gz KSUNAYKCAGHMNS-CYBMUJFWSA-N 0 1 284.831 2.922 20 30 CFEDMN C#C[C@@H]1CCCN(Cc2cc(OC)c(C)cc2OC)C1 ZINC001232837259 777688703 /nfs/dbraw/zinc/68/87/03/777688703.db2.gz QLAPUYGBUFUTAQ-CQSZACIVSA-N 0 1 273.376 2.857 20 30 CFEDMN CC#CCN1CC[C@H](NC(=O)[C@@H]2C[C@H]2CC(C)C)[C@H]1CC ZINC001087732764 777690207 /nfs/dbraw/zinc/69/02/07/777690207.db2.gz NUEONZRACFNIFG-WCXIOVBPSA-N 0 1 290.451 2.661 20 30 CFEDMN C#CCN1CC[C@H](NC(=O)c2ccsc2Cl)[C@H]1CC ZINC001087749680 777692706 /nfs/dbraw/zinc/69/27/06/777692706.db2.gz UZPHMBGEBUESSQ-NWDGAFQWSA-N 0 1 296.823 2.617 20 30 CFEDMN C#C[C@@H](Oc1nc(Cl)nc2[nH]ncc21)c1ccccc1 ZINC000328381712 777701289 /nfs/dbraw/zinc/70/12/89/777701289.db2.gz HHZLXNJNBAVSBI-LLVKDONJSA-N 0 1 284.706 2.760 20 30 CFEDMN C[C@@H]1CCN[C@H](c2nc(-c3cc(F)cc(C#N)c3)no2)C1 ZINC001211880325 777710710 /nfs/dbraw/zinc/71/07/10/777710710.db2.gz FJHRTKKFWNSSFW-RNCFNFMXSA-N 0 1 286.310 2.808 20 30 CFEDMN CN(C)c1ccc(CN2CCC[C@@H](CF)C2)c(F)c1C#N ZINC001233100711 777795012 /nfs/dbraw/zinc/79/50/12/777795012.db2.gz MKFHSZJDQRJHLM-LBPRGKRZSA-N 0 1 293.361 2.945 20 30 CFEDMN CO[C@H]1CCN(Cc2ccc(C#N)c(SC)n2)[C@H](C)C1 ZINC001141948431 777796544 /nfs/dbraw/zinc/79/65/44/777796544.db2.gz XUDORVHTPIZWKP-RISCZKNCSA-N 0 1 291.420 2.674 20 30 CFEDMN N#CC[C@H]1CCCN(Cc2[nH]nc3cc(F)ccc32)C1 ZINC001233123343 777801970 /nfs/dbraw/zinc/80/19/70/777801970.db2.gz OILVBOQEVVDFHZ-LLVKDONJSA-N 0 1 272.327 2.828 20 30 CFEDMN N#CC[C@H]1CCCN(Cc2n[nH]c3cc(F)ccc32)C1 ZINC001233123343 777801981 /nfs/dbraw/zinc/80/19/81/777801981.db2.gz OILVBOQEVVDFHZ-LLVKDONJSA-N 0 1 272.327 2.828 20 30 CFEDMN CC1(C#N)CCN(Cc2ccc(O)c3[nH]c(=O)ccc23)CC1 ZINC001233294527 777872115 /nfs/dbraw/zinc/87/21/15/777872115.db2.gz OYTIGKFYXGRVBN-UHFFFAOYSA-N 0 1 297.358 2.772 20 30 CFEDMN CCC(=O)N1CCCCC[C@H](NCc2ccccc2C#N)C1 ZINC001088241685 777911344 /nfs/dbraw/zinc/91/13/44/777911344.db2.gz DWWBVRJUPLLRJB-KRWDZBQOSA-N 0 1 299.418 2.829 20 30 CFEDMN C=CCN(Cc1ccccc1)Cc1cccc(N)n1 ZINC001233371701 777917162 /nfs/dbraw/zinc/91/71/62/777917162.db2.gz DTOUAWHZYISGPZ-UHFFFAOYSA-N 0 1 253.349 2.852 20 30 CFEDMN COCC[C@H]1CCCC[N@H+]1Cc1ccc(C#N)cc1[O-] ZINC001233386041 777926240 /nfs/dbraw/zinc/92/62/40/777926240.db2.gz DACNKVGCRVBMJH-OAHLLOKOSA-N 0 1 274.364 2.655 20 30 CFEDMN C[N@@H+](Cc1ccc(C#N)cc1)Cc1ccc(C#N)cc1[O-] ZINC001233385768 777926437 /nfs/dbraw/zinc/92/64/37/777926437.db2.gz SRKMWNZJULBQOV-UHFFFAOYSA-N 0 1 277.327 2.768 20 30 CFEDMN N#Cc1ccc(CN2CC[NH+](C3CCCCC3)CC2)c([O-])c1 ZINC001233383795 777926959 /nfs/dbraw/zinc/92/69/59/777926959.db2.gz WLSVUYZMSRKISN-UHFFFAOYSA-N 0 1 299.418 2.714 20 30 CFEDMN CO[C@@H]1CCC[C@@H]2C[N@@H+](Cc3ccc(C#N)cc3[O-])C[C@@H]21 ZINC001233385817 777928250 /nfs/dbraw/zinc/92/82/50/777928250.db2.gz URYQLSOWHNSMIN-UKPHBRMFSA-N 0 1 286.375 2.511 20 30 CFEDMN COc1ccccc1C[N@@H+](C)Cc1ccc(C#N)cc1[O-] ZINC001233385769 777928393 /nfs/dbraw/zinc/92/83/93/777928393.db2.gz SSUGPFSBQLPTPA-UHFFFAOYSA-N 0 1 282.343 2.904 20 30 CFEDMN N#Cc1cc(F)cc(NS(=O)(=O)c2ccsc2)c1 ZINC000714359977 778005455 /nfs/dbraw/zinc/00/54/55/778005455.db2.gz QESFGTXXGCTSGW-UHFFFAOYSA-N 0 1 282.321 2.560 20 30 CFEDMN C=C(C)CN1C[C@@H](NC(=O)[C@H](CC)CCCC)[C@H](OC)C1 ZINC001211909138 778146188 /nfs/dbraw/zinc/14/61/88/778146188.db2.gz PCJPDMAXMMAFFU-BZUAXINKSA-N 0 1 296.455 2.594 20 30 CFEDMN C#C[C@H]1CCC[C@H]1Oc1nc2cccc(C(=O)OC)c2[n-]1 ZINC001234043965 778151178 /nfs/dbraw/zinc/15/11/78/778151178.db2.gz HEVVDHKPBYQLJZ-GXFFZTMASA-N 0 1 284.315 2.530 20 30 CFEDMN C#C[C@H]1CCC[C@H]1Oc1nc2cccc(C(=O)OC)c2[nH]1 ZINC001234043965 778151179 /nfs/dbraw/zinc/15/11/79/778151179.db2.gz HEVVDHKPBYQLJZ-GXFFZTMASA-N 0 1 284.315 2.530 20 30 CFEDMN C=CC[C@@H](C=C)Oc1nc2cccc(C(=O)OC)c2[n-]1 ZINC001234046081 778151960 /nfs/dbraw/zinc/15/19/60/778151960.db2.gz XXXWIGXUXWWYIP-SNVBAGLBSA-N 0 1 272.304 2.859 20 30 CFEDMN C=CC[C@@H](C=C)Oc1nc2cccc(C(=O)OC)c2[nH]1 ZINC001234046081 778151964 /nfs/dbraw/zinc/15/19/64/778151964.db2.gz XXXWIGXUXWWYIP-SNVBAGLBSA-N 0 1 272.304 2.859 20 30 CFEDMN CC#CCN1CCC[C@@H](N(Cc2ccccc2)C(C)=O)C1 ZINC001029917869 778152040 /nfs/dbraw/zinc/15/20/40/778152040.db2.gz RKOZRMCEFAWFPF-GOSISDBHSA-N 0 1 284.403 2.523 20 30 CFEDMN CN(C[C@@H]1CCN1Cc1ccccc1)C(=O)C#CC(C)(C)C ZINC001234194487 778182726 /nfs/dbraw/zinc/18/27/26/778182726.db2.gz DLTGSGIEMOXDTR-KRWDZBQOSA-N 0 1 298.430 2.769 20 30 CFEDMN C[C@@H](c1ccccc1)N1CC[C@@H]1CN(C)C(=O)C#CC1CC1 ZINC001234195483 778184289 /nfs/dbraw/zinc/18/42/89/778184289.db2.gz LODRNOLVBFEFOT-MAUKXSAKSA-N 0 1 296.414 2.694 20 30 CFEDMN C=C(C)CC[N@@H+]1CC[C@@H]1CN(C)C(=O)[C@H](OCC)C(C)C ZINC001234246435 778192897 /nfs/dbraw/zinc/19/28/97/778192897.db2.gz NSMIQGJDDHFUJU-HZPDHXFCSA-N 0 1 296.455 2.546 20 30 CFEDMN C=CCCC[N@@H+]1CC[C@H]1CN(C)C(=O)[C@H](OCC)C(C)C ZINC001234255468 778194442 /nfs/dbraw/zinc/19/44/42/778194442.db2.gz NRHHQIRRWUGGMM-JKSUJKDBSA-N 0 1 296.455 2.546 20 30 CFEDMN C=C1O[C@H](CC)C(=O)C1Oc1cc(F)c(OC)cc1F ZINC001234265506 778196799 /nfs/dbraw/zinc/19/67/99/778196799.db2.gz FYBPWAVNOVLIEH-SNVBAGLBSA-N 0 1 284.258 2.962 20 30 CFEDMN C#CCN1CC[C@@H]2[C@H]1CCCN2C(=O)[C@@H](CC)CC(C)C ZINC001272042191 778215301 /nfs/dbraw/zinc/21/53/01/778215301.db2.gz BJXHCHICUZLQSJ-GVDBMIGSSA-N 0 1 290.451 2.757 20 30 CFEDMN C=C[C@@H](CCC)Oc1[nH]c(=O)nc2cccc(C#N)c21 ZINC001234513501 778240592 /nfs/dbraw/zinc/24/05/92/778240592.db2.gz MMPWRYPCVNSQLQ-NSHDSACASA-N 0 1 269.304 2.941 20 30 CFEDMN C[C@H](Oc1[nH]c(=O)nc2ccc(C#N)cc21)C(F)(F)F ZINC001234515245 778241273 /nfs/dbraw/zinc/24/12/73/778241273.db2.gz HVIMNEOPIGSQPU-LURJTMIESA-N 0 1 283.209 2.537 20 30 CFEDMN C=C(C)CN1CC[C@H]1CN(C)C(=O)[C@@]1(C)CC=CCC1 ZINC001234525346 778243779 /nfs/dbraw/zinc/24/37/79/778243779.db2.gz BDTNYSMRTRUVPC-RDJZCZTQSA-N 0 1 276.424 2.842 20 30 CFEDMN CC#CCN1CC[C@H](NC(=O)[C@H]2CCC(C)=C(C)C2)[C@H]1C ZINC001088586468 778305506 /nfs/dbraw/zinc/30/55/06/778305506.db2.gz VSNWHZZUQLAUCF-IKGGRYGDSA-N 0 1 288.435 2.725 20 30 CFEDMN C=C(C)CN1CC[C@H](NC(=O)c2conc2C(C)C)[C@H]1C ZINC001088618455 778348719 /nfs/dbraw/zinc/34/87/19/778348719.db2.gz WNHFYIXNDSKIFR-OCCSQVGLSA-N 0 1 291.395 2.567 20 30 CFEDMN C=CCC[N@@H+]1CCCN(C(=O)C(C)(CC)CC)CC1 ZINC000989699347 778423289 /nfs/dbraw/zinc/42/32/89/778423289.db2.gz NOZVSJYYNGMADG-UHFFFAOYSA-N 0 1 266.429 2.923 20 30 CFEDMN C=CCN1CC[C@H](NC(=O)c2cc(Cl)ccc2F)[C@H]1C ZINC001088722270 778458604 /nfs/dbraw/zinc/45/86/04/778458604.db2.gz SIALAYXINVYUFZ-YGRLFVJLSA-N 0 1 296.773 2.858 20 30 CFEDMN C=CCN1CC[C@H]1CN(C)C(=O)CCCc1ccsc1 ZINC001235616372 778523759 /nfs/dbraw/zinc/52/37/59/778523759.db2.gz KIGQZXUYKZXKGH-HNNXBMFYSA-N 0 1 292.448 2.790 20 30 CFEDMN Fc1ccc2[nH]c(C[NH+]3CCC(S)CC3)nc2c1 ZINC001235698559 778542096 /nfs/dbraw/zinc/54/20/96/778542096.db2.gz WJFCKKDCVSUAAT-UHFFFAOYSA-N 0 1 265.357 2.596 20 30 CFEDMN C=C(C)CN1CC[C@@H]1CN(C)C(=O)C[C@@H]1C=CCCC1 ZINC001235757374 778553610 /nfs/dbraw/zinc/55/36/10/778553610.db2.gz HCHIGIQCMRURDI-HZPDHXFCSA-N 0 1 276.424 2.842 20 30 CFEDMN C=CCN1CC[C@H]1CN(C)C(=O)Cc1ccccc1CC ZINC001235777539 778557578 /nfs/dbraw/zinc/55/75/78/778557578.db2.gz LIPKRKNLBQJCGY-KRWDZBQOSA-N 0 1 286.419 2.510 20 30 CFEDMN C=CC[N@@H+]1CC[C@H](NC(=O)Cc2cccc(Cl)c2)[C@H]1C ZINC001088832913 778573344 /nfs/dbraw/zinc/57/33/44/778573344.db2.gz NYEZOMZABFTQEE-DOMZBBRYSA-N 0 1 292.810 2.648 20 30 CFEDMN Cc1nc(C#N)c(C#N)nc1-c1cc(O)cc(Cl)c1 ZINC001235898743 778598621 /nfs/dbraw/zinc/59/86/21/778598621.db2.gz CEBFEDRWIHJTNP-UHFFFAOYSA-N 0 1 270.679 2.554 20 30 CFEDMN C=C(C)[C@@H]1CC=C(CN2CC[C@H](N)C(F)(F)C2)CC1 ZINC001235911789 778606770 /nfs/dbraw/zinc/60/67/70/778606770.db2.gz NHGKGZAIOCNLPS-KGLIPLIRSA-N 0 1 270.367 2.957 20 30 CFEDMN N#CC(C(=O)CCCC1CCCCC1)C(=O)NC1CC1 ZINC000129372327 778716453 /nfs/dbraw/zinc/71/64/53/778716453.db2.gz BQMPLLUECNGSKR-CQSZACIVSA-N 0 1 276.380 2.724 20 30 CFEDMN C=CCN1CCC[C@@H](NC(=O)C2[C@H]3CCCCCC[C@H]23)C1 ZINC001030027938 778730498 /nfs/dbraw/zinc/73/04/98/778730498.db2.gz ITCWECQVRFLJGT-PMPSAXMXSA-N 0 1 290.451 2.969 20 30 CFEDMN C#C[C@@H]1CCCN(Cc2cnc(OCC)c(C)c2)C1 ZINC001232307496 778923236 /nfs/dbraw/zinc/92/32/36/778923236.db2.gz ZRFJRURFQNLWOZ-CQSZACIVSA-N 0 1 258.365 2.634 20 30 CFEDMN CC#CCN1CC[C@H](NC(=O)[C@H](C)c2cccc(C)c2)[C@H]1C ZINC001088889026 778939347 /nfs/dbraw/zinc/93/93/47/778939347.db2.gz UJGNZFRZFWZBCE-NUJGCVRESA-N 0 1 298.430 2.701 20 30 CFEDMN C[C@@]1(CF)CC(F)(F)CN1Cc1cc(C#N)ccc1O ZINC001232674352 778961502 /nfs/dbraw/zinc/96/15/02/778961502.db2.gz XTJURGYWRQSSFK-ZDUSSCGKSA-N 0 1 284.281 2.833 20 30 CFEDMN N#Cc1cc[nH]c1CN1CC[C@H](c2ccccc2)C1 ZINC001233046602 779011119 /nfs/dbraw/zinc/01/11/19/779011119.db2.gz ZPQMDFPNTQZNQA-HNNXBMFYSA-N 0 1 251.333 2.876 20 30 CFEDMN N#Cc1ccc2c(c1)CCN(Cc1cccc(N)c1)C2 ZINC001237217549 779050040 /nfs/dbraw/zinc/05/00/40/779050040.db2.gz XYGDDGUPYTULEE-UHFFFAOYSA-N 0 1 263.344 2.699 20 30 CFEDMN C=CCN(C)Cc1[nH]nc2c1cccc2Br ZINC001237306620 779072976 /nfs/dbraw/zinc/07/29/76/779072976.db2.gz ZIMKFOZUCHAMET-UHFFFAOYSA-N 0 1 280.169 2.943 20 30 CFEDMN C=C1CC(C)(C(=O)NC2CN(CC3CCC(C)CC3)C2)C1 ZINC001030924354 779104468 /nfs/dbraw/zinc/10/44/68/779104468.db2.gz OMMSDLKWYMKUMI-UHFFFAOYSA-N 0 1 290.451 2.969 20 30 CFEDMN C[C@@H]1C[C@H](F)CN1Cc1cn(C)c2ccc(C#N)cc12 ZINC001237463534 779114249 /nfs/dbraw/zinc/11/42/49/779114249.db2.gz AVACPAQSCPUXNQ-RISCZKNCSA-N 0 1 271.339 2.982 20 30 CFEDMN CSc1ccc(C(=O)Nc2cc(C#N)ccc2O)o1 ZINC000176395380 779122247 /nfs/dbraw/zinc/12/22/47/779122247.db2.gz HORRDIROGVIUIT-UHFFFAOYSA-N 0 1 274.301 2.831 20 30 CFEDMN N#C[C@@H]1C[C@H]2CC[C@@H](C1)N2Cc1ccn2nccc2c1 ZINC001237542627 779129900 /nfs/dbraw/zinc/12/99/00/779129900.db2.gz NKUNCEFNJSYTJX-QKDCVEJESA-N 0 1 266.348 2.601 20 30 CFEDMN CC(=O)N[C@@H]1CCN(Cc2ccccc2C#N)CC(C)(C)C1 ZINC001089286322 779133888 /nfs/dbraw/zinc/13/38/88/779133888.db2.gz ZKTQBADLNJQVSO-QGZVFWFLSA-N 0 1 299.418 2.685 20 30 CFEDMN N#Cc1ccc2nc(CN3CCC[C@H]4CCC[C@H]43)cn2c1 ZINC001237606812 779140882 /nfs/dbraw/zinc/14/08/82/779140882.db2.gz OSOLTLMOXMSIQQ-GDBMZVCRSA-N 0 1 280.375 2.970 20 30 CFEDMN CC[C@H]1CCCN(Cc2cn3cc(C#N)ccc3n2)C1 ZINC001237607656 779141536 /nfs/dbraw/zinc/14/15/36/779141536.db2.gz YXVOUODDGJXJRB-ZDUSSCGKSA-N 0 1 268.364 2.828 20 30 CFEDMN C[C@@H]1CCCN(Cc2cn3cc(C#N)ccc3n2)[C@@H]1C ZINC001237615672 779144117 /nfs/dbraw/zinc/14/41/17/779144117.db2.gz YLHLSPOTWGSPHE-CHWSQXEVSA-N 0 1 268.364 2.826 20 30 CFEDMN Cc1ccnc2cccc(CN3CCN(CCC#N)CC3)c12 ZINC001237633040 779150995 /nfs/dbraw/zinc/15/09/95/779150995.db2.gz LLKHRBMXERQFLX-UHFFFAOYSA-N 0 1 294.402 2.575 20 30 CFEDMN N#Cc1cc(Cl)cc(CN2CCC[C@](F)(CO)CC2)c1 ZINC001237747213 779173039 /nfs/dbraw/zinc/17/30/39/779173039.db2.gz SHPVTSZSOODSRG-OAHLLOKOSA-N 0 1 296.773 2.898 20 30 CFEDMN CCN(CCC#N)Cc1n[nH]c2cc(Cl)ccc21 ZINC001237997393 779226019 /nfs/dbraw/zinc/22/60/19/779226019.db2.gz SRIGXRXYYCRIDU-UHFFFAOYSA-N 0 1 262.744 2.952 20 30 CFEDMN N#CCCN(Cc1cccc2cncn21)C1CCCC1 ZINC001238114391 779255660 /nfs/dbraw/zinc/25/56/60/779255660.db2.gz UCVPELIVVXPDIU-UHFFFAOYSA-N 0 1 268.364 2.993 20 30 CFEDMN C[C@]1(O)CCCN(Cc2ccc(Cl)c(C#N)c2)CC1 ZINC001238189388 779273237 /nfs/dbraw/zinc/27/32/37/779273237.db2.gz QEEIOOZCOXSSEU-HNNXBMFYSA-N 0 1 278.783 2.949 20 30 CFEDMN N#Cc1cc(CN2CCC[C@H](CCO)C2)ccc1Cl ZINC001238191785 779274640 /nfs/dbraw/zinc/27/46/40/779274640.db2.gz QMRAPRWQKKYORX-GFCCVEGCSA-N 0 1 278.783 2.806 20 30 CFEDMN C[C@@H]1CCN(Cc2ccc(Cl)c(C#N)c2)CC[C@H]1O ZINC001238189681 779274659 /nfs/dbraw/zinc/27/46/59/779274659.db2.gz VRDHIEDXYJURGP-IAQYHMDHSA-N 0 1 278.783 2.804 20 30 CFEDMN C=CCCC(=O)N1CC[C@H](NC/C(Cl)=C/Cl)[C@H]1C ZINC001278231319 779310651 /nfs/dbraw/zinc/31/06/51/779310651.db2.gz FPYPBORSWSPRBU-RWPCGZBTSA-N 0 1 291.222 2.851 20 30 CFEDMN C#CCN1CCN(Cc2cc(OC(C)C)ccc2C)CC1 ZINC001238480436 779329176 /nfs/dbraw/zinc/32/91/76/779329176.db2.gz NHKRIWNJQHTRFM-UHFFFAOYSA-N 0 1 286.419 2.533 20 30 CFEDMN C#CCN(C)Cc1cc(OC)ncc1-c1ccccc1 ZINC001238603393 779349563 /nfs/dbraw/zinc/34/95/63/779349563.db2.gz KNRSUPCDMJCKTO-UHFFFAOYSA-N 0 1 266.344 2.822 20 30 CFEDMN CCc1cc(CN2CCC[C@H](n3cncn3)C2)ccc1C#N ZINC001238779599 779390596 /nfs/dbraw/zinc/39/05/96/779390596.db2.gz WXARJFICFWEAQJ-KRWDZBQOSA-N 0 1 295.390 2.549 20 30 CFEDMN CC(C)Oc1cnc(F)c(-c2cc3nc[nH]c3c(C#N)n2)c1 ZINC001238873522 779410710 /nfs/dbraw/zinc/41/07/10/779410710.db2.gz RUPZDYAKUVWLRW-UHFFFAOYSA-N 0 1 297.293 2.818 20 30 CFEDMN C=C(CC)C(=O)NCc1ccc(Nc2ccncc2)cc1 ZINC001168514453 779427581 /nfs/dbraw/zinc/42/75/81/779427581.db2.gz YFWHOASPCTWMNT-UHFFFAOYSA-N 0 1 281.359 2.830 20 30 CFEDMN CN(C)Cc1cc(-c2cnc(C#N)c(F)c2)ccc1F ZINC001238996626 779437706 /nfs/dbraw/zinc/43/77/06/779437706.db2.gz XLIRWYVZCANVKQ-UHFFFAOYSA-N 0 1 273.286 2.960 20 30 CFEDMN Cn1ccnc1[C@H]1CCCN(Cc2cccc(C#N)c2F)C1 ZINC000444795772 779466733 /nfs/dbraw/zinc/46/67/33/779466733.db2.gz ARFLQJURRLOVGM-HNNXBMFYSA-N 0 1 298.365 2.810 20 30 CFEDMN CCCCCCCOC(=O)N1CC[C@H](N)C(F)(F)C1 ZINC001239334139 779523754 /nfs/dbraw/zinc/52/37/54/779523754.db2.gz CQOHGFJQKYLCEZ-NSHDSACASA-N 0 1 278.343 2.762 20 30 CFEDMN C#CCN(C)Cc1ccccc1CNC(=O)[C@H]1C[C@@H]1C(C)C ZINC001272675321 779545222 /nfs/dbraw/zinc/54/52/22/779545222.db2.gz JEQJNWCMKBRTQF-MSOLQXFVSA-N 0 1 298.430 2.660 20 30 CFEDMN CCCCCCCCNC(=S)N1C[C@@H](C)N[C@@H](C)C1 ZINC001239440258 779568134 /nfs/dbraw/zinc/56/81/34/779568134.db2.gz DDKACJKBWBXKQZ-OKILXGFUSA-N 0 1 285.501 2.904 20 30 CFEDMN COc1ncc(-c2cc(/C=N/O)ccc2F)cc1F ZINC001239519405 779603122 /nfs/dbraw/zinc/60/31/22/779603122.db2.gz ZWGLMZCVLCKZGD-UBKPWBPPSA-N 0 1 264.231 2.844 20 30 CFEDMN Cc1ccc(CCCC(=O)C(C#N)C(=O)NC(C)C)cc1 ZINC000130942423 779647717 /nfs/dbraw/zinc/64/77/17/779647717.db2.gz FYWHXPMOCGMOSI-OAHLLOKOSA-N 0 1 286.375 2.551 20 30 CFEDMN CC#CCN(C)C[C@H]1CCCN1C(=O)c1ccc(C)cc1C ZINC001281967424 779651273 /nfs/dbraw/zinc/65/12/73/779651273.db2.gz DZRLCFXTKIFUJH-QGZVFWFLSA-N 0 1 298.430 2.863 20 30 CFEDMN C=C(C)CN1CC[C@@]2(CCCN2Cc2ccncc2C)C1=O ZINC001272716905 779714898 /nfs/dbraw/zinc/71/48/98/779714898.db2.gz MEXNOEJCQWVMRF-SFHVURJKSA-N 0 1 299.418 2.533 20 30 CFEDMN C=C(C)CN1CC(CNC(=O)c2ccc3c(c2)CCCC3)C1 ZINC001032170423 779752171 /nfs/dbraw/zinc/75/21/71/779752171.db2.gz AOSWQDPILYAIJC-UHFFFAOYSA-N 0 1 298.430 2.803 20 30 CFEDMN C=C(C)CN1CC(CNC(=O)C2C[C@H](C)C[C@@H](C)C2)C1 ZINC001032210198 779765222 /nfs/dbraw/zinc/76/52/22/779765222.db2.gz APJTXLUBZQRAIY-ZIAGYGMSSA-N 0 1 278.440 2.683 20 30 CFEDMN C=CCN1CC(CNC(=O)c2cc3c(cccc3C)o2)C1 ZINC001032213153 779768685 /nfs/dbraw/zinc/76/86/85/779768685.db2.gz IRDWXPYOZPYFMI-UHFFFAOYSA-N 0 1 284.359 2.589 20 30 CFEDMN C=C(C)CN1CC(CNC(=O)[C@H]2CCCCC2(C)C)C1 ZINC001032215045 779770871 /nfs/dbraw/zinc/77/08/71/779770871.db2.gz WBRUSCMKPHCEIT-OAHLLOKOSA-N 0 1 278.440 2.827 20 30 CFEDMN COc1cc(CN2CCC[C@@H](C#N)CC2)ccc1C#N ZINC001238409637 779789383 /nfs/dbraw/zinc/78/93/83/779789383.db2.gz OJXDDIFVBMRQRQ-CYBMUJFWSA-N 0 1 269.348 2.693 20 30 CFEDMN C=CCC[C@@H](C)[N@H+]1CCO[C@@](C)(CNC(=O)C=C(C)C)C1 ZINC001107709646 779885382 /nfs/dbraw/zinc/88/53/82/779885382.db2.gz GSPARIZDQMWZIX-WBVHZDCISA-N 0 1 294.439 2.514 20 30 CFEDMN C=CCCCN1CCO[C@@](C)(CNC(=O)/C(C)=C\CC)C1 ZINC001107784692 779898219 /nfs/dbraw/zinc/89/82/19/779898219.db2.gz YLTRJAOYZDJJSJ-KAKTVLCNSA-N 0 1 294.439 2.516 20 30 CFEDMN C=CCCC(=O)NC[C@]1(C)CN(CC/C=C\CC)CCO1 ZINC001107801990 779902384 /nfs/dbraw/zinc/90/23/84/779902384.db2.gz GJDIDGHXWFTSAJ-BQLWYNFJSA-N 0 1 294.439 2.516 20 30 CFEDMN C=C(C)CC[N@H+]1CCO[C@](C)(CNC(=O)/C=C(/C)CC)C1 ZINC001107923523 779939802 /nfs/dbraw/zinc/93/98/02/779939802.db2.gz FCFWIJKOFDNGHN-JBXOJTMHSA-N 0 1 294.439 2.516 20 30 CFEDMN C=C(C)CCN1CCO[C@](C)(CNC(=O)/C=C(/C)CC)C1 ZINC001107923523 779939809 /nfs/dbraw/zinc/93/98/09/779939809.db2.gz FCFWIJKOFDNGHN-JBXOJTMHSA-N 0 1 294.439 2.516 20 30 CFEDMN C=CCC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)C(C)(C)C(=C)Cl ZINC001032422746 779951736 /nfs/dbraw/zinc/95/17/36/779951736.db2.gz KDKZHKROHLCAJU-STQMWFEESA-N 0 1 282.815 2.626 20 30 CFEDMN C=CCCN1C[C@@H]2C[C@H]1CN2C(=O)c1coc(C(F)F)c1 ZINC001032589662 780056439 /nfs/dbraw/zinc/05/64/39/780056439.db2.gz FAFPULVVALSLSR-RYUDHWBXSA-N 0 1 296.317 2.692 20 30 CFEDMN Cn1cnc2ccc(-c3nccc4[nH]cc(C#N)c43)cc21 ZINC001240318153 780075363 /nfs/dbraw/zinc/07/53/63/780075363.db2.gz JNLSUMCNTLSXSA-UHFFFAOYSA-N 0 1 273.299 2.988 20 30 CFEDMN C=C(C)CCC(=O)N[C@H](C)CCNCc1nc(C)c(C)o1 ZINC001272814193 780107291 /nfs/dbraw/zinc/10/72/91/780107291.db2.gz NHFJPUNPCDDXSD-GFCCVEGCSA-N 0 1 293.411 2.632 20 30 CFEDMN C#CCC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)CC1CCCCCC1 ZINC001032651408 780116167 /nfs/dbraw/zinc/11/61/67/780116167.db2.gz WFONBMLVPBCTQP-IRXDYDNUSA-N 0 1 288.435 2.655 20 30 CFEDMN C#CCCN1C[C@@H]2C[C@H]1CN2C(=O)CC1CCCCCC1 ZINC001032651408 780116172 /nfs/dbraw/zinc/11/61/72/780116172.db2.gz WFONBMLVPBCTQP-IRXDYDNUSA-N 0 1 288.435 2.655 20 30 CFEDMN C=CCCN1C[C@@H]2C[C@H]1CN2C(=O)c1csc(Cl)c1 ZINC001032665137 780124283 /nfs/dbraw/zinc/12/42/83/780124283.db2.gz IFQIXQZYDFLNSS-RYUDHWBXSA-N 0 1 296.823 2.876 20 30 CFEDMN N#CCc1nccnc1C1=CCCN(Cc2ccccc2)C1 ZINC001240384803 780129362 /nfs/dbraw/zinc/12/93/62/780129362.db2.gz SKLJKFPBORMMHG-UHFFFAOYSA-N 0 1 290.370 2.832 20 30 CFEDMN C=CCCN1C[C@@H]2C[C@H]1CN2C(=O)C1(CC)CCCC1 ZINC001032710343 780133303 /nfs/dbraw/zinc/13/33/03/780133303.db2.gz VWPLBXRNZDXAHW-GJZGRUSLSA-N 0 1 276.424 2.818 20 30 CFEDMN C=CCN1C[C@]2(CC1=O)CCCCN2Cc1cccnc1C ZINC001272828634 780155339 /nfs/dbraw/zinc/15/53/39/780155339.db2.gz SZGLILODKWCWKW-GOSISDBHSA-N 0 1 299.418 2.533 20 30 CFEDMN C=C(C)CN1C[C@@H]2C[C@H]1CN2C(=O)CCc1cccs1 ZINC001032775488 780209855 /nfs/dbraw/zinc/20/98/55/780209855.db2.gz OUOYWFAOPDUZHM-KBPBESRZSA-N 0 1 290.432 2.542 20 30 CFEDMN C=CCN1CC[C@]2(CCCN2Cc2ccc(CC)o2)C1=O ZINC001272997860 780469261 /nfs/dbraw/zinc/46/92/61/780469261.db2.gz BFIAAWUONGJMAO-QGZVFWFLSA-N 0 1 288.391 2.595 20 30 CFEDMN CN1CCN(c2ccc(-c3cc(F)cnc3C#N)cc2)CC1 ZINC001240851981 780477693 /nfs/dbraw/zinc/47/76/93/780477693.db2.gz HPCIPASSQXQBIB-UHFFFAOYSA-N 0 1 296.349 2.511 20 30 CFEDMN C=C(C)CN1CC[C@H](N(C)C(=O)c2ccc(C)s2)C1 ZINC001032874578 780492884 /nfs/dbraw/zinc/49/28/84/780492884.db2.gz SGBYKWYFUSRVOR-ZDUSSCGKSA-N 0 1 278.421 2.779 20 30 CFEDMN CC#CCN1CC[C@@H](N(C)C(=O)CC2CCCCC2)C1 ZINC001032887301 780499555 /nfs/dbraw/zinc/49/95/55/780499555.db2.gz ASIGXKPOFHPWGX-MRXNPFEDSA-N 0 1 276.424 2.513 20 30 CFEDMN C=C(C)CN1CC[C@@H](N(C)C(=O)c2oc(C)cc2C)C1 ZINC001032975430 780521413 /nfs/dbraw/zinc/52/14/13/780521413.db2.gz LPPGYSYVMFSSQP-CQSZACIVSA-N 0 1 276.380 2.619 20 30 CFEDMN COCc1ccc(-c2cc3[nH]cnc3c(C#N)n2)cc1 ZINC001240949040 780540973 /nfs/dbraw/zinc/54/09/73/780540973.db2.gz IJQAYQJGRCOEIN-UHFFFAOYSA-N 0 1 264.288 2.643 20 30 CFEDMN Cc1cc(NCc2ccc(C#N)cn2)c2cc(F)ccc2n1 ZINC000780613179 780566054 /nfs/dbraw/zinc/56/60/54/780566054.db2.gz UUQQRHYSTFKJEN-UHFFFAOYSA-N 0 1 292.317 2.983 20 30 CFEDMN CCCCC(=O)NCC1(NCC#Cc2ccccc2)CCC1 ZINC001273047817 780566189 /nfs/dbraw/zinc/56/61/89/780566189.db2.gz IMIIDNIKUQEAGG-UHFFFAOYSA-N 0 1 298.430 2.857 20 30 CFEDMN CC#CCN1CC[C@@H](N(C)C(=O)C(C)(C)C2CCCC2)C1 ZINC001033152270 780584643 /nfs/dbraw/zinc/58/46/43/780584643.db2.gz PIXWYZBZJQZEJH-MRXNPFEDSA-N 0 1 290.451 2.759 20 30 CFEDMN CC(C)[C@@H](NCc1csc(C#N)c1)c1cnn(C)c1 ZINC000922890825 780585115 /nfs/dbraw/zinc/58/51/15/780585115.db2.gz POYHTDQLOOHLFH-CQSZACIVSA-N 0 1 274.393 2.840 20 30 CFEDMN CC#CCN1CC[C@@H](N(C)C(=O)[C@H]2CCC=CCCC2)C1 ZINC001033184024 780609010 /nfs/dbraw/zinc/60/90/10/780609010.db2.gz MUERJMDMQHJWOY-DLBZAZTESA-N 0 1 288.435 2.679 20 30 CFEDMN C=C(C)CN1CC[C@@H](N(C)C(=O)c2cc3cnccc3o2)C1 ZINC001033232590 780626301 /nfs/dbraw/zinc/62/63/01/780626301.db2.gz KYUUXJRVVISQMG-CQSZACIVSA-N 0 1 299.374 2.550 20 30 CFEDMN C=CCN1CC[C@@H](N(C)C(=O)c2cc(Cl)ccc2F)C1 ZINC001033242592 780629691 /nfs/dbraw/zinc/62/96/91/780629691.db2.gz MRVQRPDMQPOBGG-GFCCVEGCSA-N 0 1 296.773 2.811 20 30 CFEDMN C=C(C)CN1CC[C@@H](N(C)C(=O)c2c(C)oc(C)c2C)C1 ZINC001033247090 780631844 /nfs/dbraw/zinc/63/18/44/780631844.db2.gz PFHBQJBKBRTDRG-OAHLLOKOSA-N 0 1 290.407 2.927 20 30 CFEDMN C=CCN1CC[C@H](N(C)C(=O)c2ccccc2CCC)C1 ZINC001033252590 780632623 /nfs/dbraw/zinc/63/26/23/780632623.db2.gz GTJRTCKMSBWLFP-INIZCTEOSA-N 0 1 286.419 2.971 20 30 CFEDMN C=CCN1CC[C@H](N(C)C(=O)C(C2CCC2)C2CCC2)C1 ZINC001033362782 780664466 /nfs/dbraw/zinc/66/44/66/780664466.db2.gz XIVRVJCWIBMJPH-INIZCTEOSA-N 0 1 290.451 2.922 20 30 CFEDMN N#Cc1c[nH]c2ccnc(-c3cc(CO)ccc3F)c12 ZINC001241150617 780668784 /nfs/dbraw/zinc/66/87/84/780668784.db2.gz XTWFCXQIUPUQMD-UHFFFAOYSA-N 0 1 267.263 2.733 20 30 CFEDMN C=CCN1CC[C@H](N(C)C(=O)c2ccc(Cl)c(C)c2)C1 ZINC001033382162 780669367 /nfs/dbraw/zinc/66/93/67/780669367.db2.gz AGWKXARKSLMORF-AWEZNQCLSA-N 0 1 292.810 2.981 20 30 CFEDMN C=CCN1CC[C@H](N(C)C(=O)c2c(C)cccc2Cl)C1 ZINC001033387332 780674309 /nfs/dbraw/zinc/67/43/09/780674309.db2.gz IAYPZOOPYQPMHB-ZDUSSCGKSA-N 0 1 292.810 2.981 20 30 CFEDMN C=CCN1CC[C@@H](N(C)C(=O)c2cnc3ccccc3c2)C1 ZINC001033452301 780685362 /nfs/dbraw/zinc/68/53/62/780685362.db2.gz JEDHPLULIIDXQL-MRXNPFEDSA-N 0 1 295.386 2.567 20 30 CFEDMN C=CCN1CC[C@H](N(C)C(=O)c2cnc3ccccc3c2)C1 ZINC001033452300 780685397 /nfs/dbraw/zinc/68/53/97/780685397.db2.gz JEDHPLULIIDXQL-INIZCTEOSA-N 0 1 295.386 2.567 20 30 CFEDMN C=CC[N@@H+]1CC[C@@H](N(C)C(=O)[C@@H](C)c2cccc(C)c2)C1 ZINC001033457827 780687350 /nfs/dbraw/zinc/68/73/50/780687350.db2.gz DVBIAJYLNJQBKW-DOTOQJQBSA-N 0 1 286.419 2.817 20 30 CFEDMN C=CCN1CC[C@@H](N(C)C(=O)[C@@H](C)c2cccc(C)c2)C1 ZINC001033457827 780687356 /nfs/dbraw/zinc/68/73/56/780687356.db2.gz DVBIAJYLNJQBKW-DOTOQJQBSA-N 0 1 286.419 2.817 20 30 CFEDMN C=CCN1CC[C@@H](N(C)C(=O)[C@@H]2C[C@H]2c2ccccc2C)C1 ZINC001033498616 780697104 /nfs/dbraw/zinc/69/71/04/780697104.db2.gz BVUKAQHEQVMJDA-BPQIPLTHSA-N 0 1 298.430 2.817 20 30 CFEDMN C#C[C@](C)(CC)NC(=O)c1ccc(CN(CC)CC)o1 ZINC000700593192 780704191 /nfs/dbraw/zinc/70/41/91/780704191.db2.gz RKLLRZKWNXSGQP-MRXNPFEDSA-N 0 1 276.380 2.653 20 30 CFEDMN C#CCN1CC[C@@H](N(C)C(=O)[C@H]2CC[C@H](C(C)C)CC2)C1 ZINC001033533728 780706557 /nfs/dbraw/zinc/70/65/57/780706557.db2.gz VRZGEMTUKIQXDV-BRWVUGGUSA-N 0 1 290.451 2.615 20 30 CFEDMN C=C(C)CN1CC[C@@H](N(C)C(=O)C2(F)CCCCC2)C1 ZINC001033554158 780713543 /nfs/dbraw/zinc/71/35/43/780713543.db2.gz AXRSIRUXCRNVST-CQSZACIVSA-N 0 1 282.403 2.768 20 30 CFEDMN C=C(C)CN1CC[C@@H](N(C)C(=O)c2cc(C)c(CC)o2)C1 ZINC001033574517 780716354 /nfs/dbraw/zinc/71/63/54/780716354.db2.gz XYNFCGVEZGPOEJ-CQSZACIVSA-N 0 1 290.407 2.873 20 30 CFEDMN C=CCN1CC[C@H](N(C)C(=O)[C@@H](C)c2ccc(C)s2)C1 ZINC001033581371 780716858 /nfs/dbraw/zinc/71/68/58/780716858.db2.gz JXIUBJBNLNASFR-KBPBESRZSA-N 0 1 292.448 2.879 20 30 CFEDMN C=CCN1CC[C@H](N(C)C(=O)[C@@H]2C[C@H]2c2ccccc2)C1 ZINC001033599005 780722626 /nfs/dbraw/zinc/72/26/26/780722626.db2.gz OMJYYJVDCZVTOS-YESZJQIVSA-N 0 1 284.403 2.509 20 30 CFEDMN C=CCN1CC[C@H](N(C)C(=O)c2ccc(CC)cc2)C1 ZINC001033630811 780735753 /nfs/dbraw/zinc/73/57/53/780735753.db2.gz KNYNOCZYTGSVMG-INIZCTEOSA-N 0 1 272.392 2.581 20 30 CFEDMN C#CCCN1CC[C@@H](N(C)C(=O)c2cc3ccccc3o2)C1 ZINC001033639791 780740349 /nfs/dbraw/zinc/74/03/49/780740349.db2.gz MACGLAIFVRWXEX-OAHLLOKOSA-N 0 1 296.370 2.602 20 30 CFEDMN CC#CCN1CC[C@H](N(C)C(=O)[C@@]2(C)CC=C(C)CC2)C1 ZINC001033677506 780746787 /nfs/dbraw/zinc/74/67/87/780746787.db2.gz BJVZLKUJMYXCFZ-WMZOPIPTSA-N 0 1 288.435 2.679 20 30 CFEDMN CC[C@@H](CC#N)[NH2+]Cc1ccc(Br)cc1[O-] ZINC000701046723 780752632 /nfs/dbraw/zinc/75/26/32/780752632.db2.gz YQZPTMTWBWQOEK-NSHDSACASA-N 0 1 283.169 2.937 20 30 CFEDMN CC[C@@H](CC#N)NCc1ccc(Br)cc1O ZINC000701046723 780752638 /nfs/dbraw/zinc/75/26/38/780752638.db2.gz YQZPTMTWBWQOEK-NSHDSACASA-N 0 1 283.169 2.937 20 30 CFEDMN C=C(C)CN1CC[C@@H](N(C)C(=O)c2ccc(F)s2)C1 ZINC001033699936 780754217 /nfs/dbraw/zinc/75/42/17/780754217.db2.gz NTMMCEZYEDMYTL-LLVKDONJSA-N 0 1 282.384 2.610 20 30 CFEDMN COC(=O)c1cc(C#N)cc(-c2c(F)ccc(O)c2F)c1 ZINC001241292508 780762596 /nfs/dbraw/zinc/76/25/96/780762596.db2.gz CUHNMOGGTXRJJK-UHFFFAOYSA-N 0 1 289.237 2.996 20 30 CFEDMN C=CCN1CC[C@H](N(CC)C(=O)c2cccc(C)c2)C1 ZINC001033732180 780768259 /nfs/dbraw/zinc/76/82/59/780768259.db2.gz HQOXCBMIUUAJTE-INIZCTEOSA-N 0 1 272.392 2.717 20 30 CFEDMN C#CCCN1CC[C@H](N(CC)C(=O)c2cc(C)cs2)C1 ZINC001033831524 780802994 /nfs/dbraw/zinc/80/29/94/780802994.db2.gz YXRAIZFCCXKZKH-AWEZNQCLSA-N 0 1 290.432 2.616 20 30 CFEDMN C#CCN1CC[C@H](N(CC)C(=O)[C@H]2CCC(C)=C(C)C2)C1 ZINC001033849819 780807782 /nfs/dbraw/zinc/80/77/82/780807782.db2.gz JKMYXFOQQVNGAG-IRXDYDNUSA-N 0 1 288.435 2.679 20 30 CFEDMN C=CCN1CC[C@H](N(CC)C(=O)c2c(C)oc(C)c2C)C1 ZINC001033890093 780816569 /nfs/dbraw/zinc/81/65/69/780816569.db2.gz KJRZNDGPGHZRJK-HNNXBMFYSA-N 0 1 290.407 2.927 20 30 CFEDMN C=CCN1CC[C@H](N(CC)C(=O)[C@@H]2CCC(C)(C)C2)C1 ZINC001033945019 780838295 /nfs/dbraw/zinc/83/82/95/780838295.db2.gz WFYGLZGRFNBFDO-CABCVRRESA-N 0 1 278.440 2.922 20 30 CFEDMN Cc1ccc(CNCc2cnccc2C)cc1C#N ZINC000701822923 780843755 /nfs/dbraw/zinc/84/37/55/780843755.db2.gz KMKCLNQEOQKPSN-UHFFFAOYSA-N 0 1 251.333 2.860 20 30 CFEDMN COc1cc(C#N)ccc1-c1nccc2[nH]cc(C#N)c21 ZINC001241395613 780848693 /nfs/dbraw/zinc/84/86/93/780848693.db2.gz YPRVJXDAIAQKTP-UHFFFAOYSA-N 0 1 274.283 2.982 20 30 CFEDMN C=CCN1CC[C@H](N(CC)C(=O)[C@H]2CC[C@H](C)CC2)C1 ZINC001034027176 780858286 /nfs/dbraw/zinc/85/82/86/780858286.db2.gz VROFYMARMYANQX-JYJNAYRXSA-N 0 1 278.440 2.922 20 30 CFEDMN C=CC[N@@H+]1CC[C@H](N(CC)C(=O)c2ccc(CC)cc2)C1 ZINC001034033222 780861308 /nfs/dbraw/zinc/86/13/08/780861308.db2.gz DVVSWNJZFBZNOD-KRWDZBQOSA-N 0 1 286.419 2.971 20 30 CFEDMN C=CCN1CC[C@H](N(CC)C(=O)c2ccc(CC)cc2)C1 ZINC001034033222 780861317 /nfs/dbraw/zinc/86/13/17/780861317.db2.gz DVVSWNJZFBZNOD-KRWDZBQOSA-N 0 1 286.419 2.971 20 30 CFEDMN C=CC[N@@H+]1CC[C@@H](N(CC)C(=O)c2cc3ccccc3[nH]2)C1 ZINC001034039667 780861765 /nfs/dbraw/zinc/86/17/65/780861765.db2.gz OIQMRNZEQCDHBV-OAHLLOKOSA-N 0 1 297.402 2.890 20 30 CFEDMN C=CCN1CC[C@@H](N(CC)C(=O)c2cc3ccccc3[nH]2)C1 ZINC001034039667 780861767 /nfs/dbraw/zinc/86/17/67/780861767.db2.gz OIQMRNZEQCDHBV-OAHLLOKOSA-N 0 1 297.402 2.890 20 30 CFEDMN N#Cc1ccc(-c2cc(N3CCCC3)ccn2)cn1 ZINC001241421325 780866168 /nfs/dbraw/zinc/86/61/68/780866168.db2.gz LZEFMYUXNVYYMU-UHFFFAOYSA-N 0 1 250.305 2.615 20 30 CFEDMN CCOC(=O)c1cc2cc(-c3ccc(C#N)nc3)cnc2[nH]1 ZINC001241431625 780877030 /nfs/dbraw/zinc/87/70/30/780877030.db2.gz FRUHPJXEZKINPG-UHFFFAOYSA-N 0 1 292.298 2.673 20 30 CFEDMN CC#CCN1CCCC[C@H](NC(=O)c2cccc(C)c2)C1 ZINC001034082559 780882447 /nfs/dbraw/zinc/88/24/47/780882447.db2.gz KEIHSWGEDILDPU-KRWDZBQOSA-N 0 1 284.403 2.603 20 30 CFEDMN C=C(C)C(C)(C)C(=O)NC[C@@]1(C)CN(CCCC)CCO1 ZINC001108115348 780884752 /nfs/dbraw/zinc/88/47/52/780884752.db2.gz OABDGSDFTOLPFX-KRWDZBQOSA-N 0 1 296.455 2.596 20 30 CFEDMN CC#CCN1CCCC[C@H](NC(=O)c2cscc2C)C1 ZINC001034166109 780914423 /nfs/dbraw/zinc/91/44/23/780914423.db2.gz ZTOJUKCEMAMFHD-AWEZNQCLSA-N 0 1 290.432 2.664 20 30 CFEDMN CC#CCN1CCCC[C@@H](NC(=O)c2ccoc2Cl)C1 ZINC001034188713 780918520 /nfs/dbraw/zinc/91/85/20/780918520.db2.gz WHVXZRZPUJTSEJ-GFCCVEGCSA-N 0 1 294.782 2.541 20 30 CFEDMN C#CCN1CCCC[C@@H](NC(=O)[C@@H]2CCC(C)=C(C)C2)C1 ZINC001034222490 780927654 /nfs/dbraw/zinc/92/76/54/780927654.db2.gz FMEBQXYPUSCLDB-IAGOWNOFSA-N 0 1 288.435 2.727 20 30 CFEDMN C#CCN1CCCC[C@@H](NC(=O)C2(C3CCC3)CCC2)C1 ZINC001034335660 780947436 /nfs/dbraw/zinc/94/74/36/780947436.db2.gz XAPKJMKYIQRGRQ-MRXNPFEDSA-N 0 1 288.435 2.561 20 30 CFEDMN C=CCN1CCCC[C@H](NC(=O)c2cccc(F)c2F)C1 ZINC001034368212 780954792 /nfs/dbraw/zinc/95/47/92/780954792.db2.gz KDOWOYFXNMLZPH-LBPRGKRZSA-N 0 1 294.345 2.735 20 30 CFEDMN C=CCN1CCCC[C@H](NC(=O)c2ccncc2Cl)C1 ZINC001034411476 780969856 /nfs/dbraw/zinc/96/98/56/780969856.db2.gz QZAYKZCOMLTDOM-LBPRGKRZSA-N 0 1 293.798 2.505 20 30 CFEDMN C#CCN1CCCC[C@H](NC(=O)[C@H](C)c2cccc(C)c2)C1 ZINC001034416283 780971456 /nfs/dbraw/zinc/97/14/56/780971456.db2.gz MYBLWJMZABKUEC-AEFFLSMTSA-N 0 1 298.430 2.702 20 30 CFEDMN CN1CCC=C(c2cc(C(F)(F)F)c(C#N)cn2)C1 ZINC001241565885 780981232 /nfs/dbraw/zinc/98/12/32/780981232.db2.gz OZPZVXZGJYDPGR-UHFFFAOYSA-N 0 1 267.254 2.691 20 30 CFEDMN C#CCN1CCCC[C@@H](NC(=O)C2CCC(C)(C)CC2)C1 ZINC001034543348 780995397 /nfs/dbraw/zinc/99/53/97/780995397.db2.gz HNRZDFHPCLBDCV-MRXNPFEDSA-N 0 1 290.451 2.807 20 30 CFEDMN COc1ccnc(-c2ccc3c(C)[nH]nc3c2)c1C#N ZINC001241637020 781036711 /nfs/dbraw/zinc/03/67/11/781036711.db2.gz QOMYQKATGNNDQP-UHFFFAOYSA-N 0 1 264.288 2.814 20 30 CFEDMN Cc1[nH]nc2cc(-c3cnc(F)c(C#N)c3)ccc12 ZINC001241639482 781038535 /nfs/dbraw/zinc/03/85/35/781038535.db2.gz ATVSOFGWTHHXEM-UHFFFAOYSA-N 0 1 252.252 2.944 20 30 CFEDMN C=CC[C@@H]1CCCN(c2ccc(C(=O)[O-])c(C)[nH+]2)C1 ZINC000703637280 781042932 /nfs/dbraw/zinc/04/29/32/781042932.db2.gz BIKLCPGNZTYNEH-GFCCVEGCSA-N 0 1 260.337 2.881 20 30 CFEDMN N#Cc1cc(F)cc(-c2cc3[nH]nnc3cc2F)c1 ZINC001241658491 781051705 /nfs/dbraw/zinc/05/17/05/781051705.db2.gz NPKJMTTVVZOVEQ-UHFFFAOYSA-N 0 1 256.215 2.775 20 30 CFEDMN C=CCNC(=O)c1ccc(-c2ccc3n[nH]c(C)c3c2)nc1 ZINC001241667841 781060053 /nfs/dbraw/zinc/06/00/53/781060053.db2.gz BTSVDMSPYABTGL-UHFFFAOYSA-N 0 1 292.342 2.849 20 30 CFEDMN N#Cc1cnc2ccc(-c3ccc4nc[nH]c4c3)cn12 ZINC001241697694 781079021 /nfs/dbraw/zinc/07/90/21/781079021.db2.gz IRPFBYBOXFUZLY-UHFFFAOYSA-N 0 1 259.272 2.749 20 30 CFEDMN C/C=C(\C)C(=O)N1CCC[C@@H]1CNCc1ccccc1C#N ZINC001034899534 781088769 /nfs/dbraw/zinc/08/87/69/781088769.db2.gz PXFVKAGGGIJVME-UEHGYGDOSA-N 0 1 297.402 2.605 20 30 CFEDMN C=CCN1CC2(C1)CCN(C(=O)c1sccc1C)CC2 ZINC001035639799 781153367 /nfs/dbraw/zinc/15/33/67/781153367.db2.gz LEMZWPOIDYIXGG-UHFFFAOYSA-N 0 1 290.432 2.781 20 30 CFEDMN C=CCN1CC2(C1)CCN(C(=O)C=C1CCCCC1)CC2 ZINC001035664631 781153626 /nfs/dbraw/zinc/15/36/26/781153626.db2.gz ZGQPRAQFNVHRAH-UHFFFAOYSA-N 0 1 288.435 2.987 20 30 CFEDMN CC#CCN1CC2(C1)CCN(C(=O)CC1CCCC1)CC2 ZINC001035644793 781154175 /nfs/dbraw/zinc/15/41/75/781154175.db2.gz WJNGRDQXMHQIOI-UHFFFAOYSA-N 0 1 288.435 2.514 20 30 CFEDMN CC#CCN1CC2(C1)CCN(C(=O)c1cccc(C)c1)CC2 ZINC001035644630 781154550 /nfs/dbraw/zinc/15/45/50/781154550.db2.gz QQLXGKFBZHXISV-UHFFFAOYSA-N 0 1 296.414 2.556 20 30 CFEDMN C=CCN1CC2(C1)CCN(C(=O)c1cccc(F)c1)CC2 ZINC001035643148 781154750 /nfs/dbraw/zinc/15/47/50/781154750.db2.gz DHCNVPNWQAJWLW-UHFFFAOYSA-N 0 1 288.366 2.550 20 30 CFEDMN C=CCN1CC2(C1)CCN(C(=O)C1=CCCCCC1)CC2 ZINC001035691463 781158629 /nfs/dbraw/zinc/15/86/29/781158629.db2.gz BGOOIWLWMUJSRX-UHFFFAOYSA-N 0 1 288.435 2.987 20 30 CFEDMN C=CCN1CC2(C1)CCN(C(=O)[C@@]13C[C@@H]1CCCC3)CC2 ZINC001035790666 781169794 /nfs/dbraw/zinc/16/97/94/781169794.db2.gz FXHMTRKOTSIVJH-YJBOKZPZSA-N 0 1 288.435 2.677 20 30 CFEDMN C=CCN1CC2(C1)CCN(C(=O)[C@H]1CC[C@@H](C)C1)CC2 ZINC001035813666 781174072 /nfs/dbraw/zinc/17/40/72/781174072.db2.gz WFJCYARXYSQYGW-CABCVRRESA-N 0 1 276.424 2.533 20 30 CFEDMN CC#CCN1CC2(C1)CCN(C(=O)c1ccc(C)cc1)CC2 ZINC001035843667 781178179 /nfs/dbraw/zinc/17/81/79/781178179.db2.gz XCMDHUDFHSKQOM-UHFFFAOYSA-N 0 1 296.414 2.556 20 30 CFEDMN N#Cc1cc2[nH]ccc2c(-c2ccc3[nH]nnc3c2)c1 ZINC001241942459 781197890 /nfs/dbraw/zinc/19/78/90/781197890.db2.gz LREUBUDBZFOBNJ-UHFFFAOYSA-N 0 1 259.272 2.978 20 30 CFEDMN N#Cc1cc2[nH]ccc2c(-c2ccc3nn[nH]c3c2)c1 ZINC001241942459 781197896 /nfs/dbraw/zinc/19/78/96/781197896.db2.gz LREUBUDBZFOBNJ-UHFFFAOYSA-N 0 1 259.272 2.978 20 30 CFEDMN CON=Cc1cc(-c2ccc3[nH]nnc3c2)ccc1F ZINC001241943471 781198979 /nfs/dbraw/zinc/19/89/79/781198979.db2.gz OKHQEKAYSXTHRP-LZYBPNLTSA-N 0 1 270.267 2.744 20 30 CFEDMN CO/N=C/c1cc(-c2ccc3nn[nH]c3c2)ccc1F ZINC001241943471 781198980 /nfs/dbraw/zinc/19/89/80/781198980.db2.gz OKHQEKAYSXTHRP-LZYBPNLTSA-N 0 1 270.267 2.744 20 30 CFEDMN CCC(=O)N1CCC[C@H](C)[C@H]1CNCc1ccccc1C#N ZINC001036478160 781252756 /nfs/dbraw/zinc/25/27/56/781252756.db2.gz PARPDDMKMLXHIN-WMLDXEAASA-N 0 1 299.418 2.685 20 30 CFEDMN N#Cc1cncnc1-c1ccc(O)c(C(F)(F)F)c1 ZINC001242151919 781304480 /nfs/dbraw/zinc/30/44/80/781304480.db2.gz ZGBWYAOENPQOSE-UHFFFAOYSA-N 0 1 265.194 2.740 20 30 CFEDMN N#Cc1ncncc1-c1ccc(O)c(C(F)(F)F)c1 ZINC001242158092 781307666 /nfs/dbraw/zinc/30/76/66/781307666.db2.gz QKGNTRREXFQJOL-UHFFFAOYSA-N 0 1 265.194 2.740 20 30 CFEDMN C=C(Cl)CN1CC[C@H]2CN(C(=O)c3ccoc3)CC[C@@H]21 ZINC001036643136 781342626 /nfs/dbraw/zinc/34/26/26/781342626.db2.gz BNYVDHJXIIROAT-JSGCOSHPSA-N 0 1 294.782 2.569 20 30 CFEDMN CCOC(=O)c1nc2ccc(-c3cncc(C#N)c3)cc2[nH]1 ZINC001242275640 781359658 /nfs/dbraw/zinc/35/96/58/781359658.db2.gz RCSQAVOUSNIOFG-UHFFFAOYSA-N 0 1 292.298 2.673 20 30 CFEDMN COc1cccc(-c2nccc3[nH]cnc32)c1C#N ZINC001242296433 781376551 /nfs/dbraw/zinc/37/65/51/781376551.db2.gz JGJVGUIAVJNOGF-UHFFFAOYSA-N 0 1 250.261 2.505 20 30 CFEDMN Cc1cccc(-c2ncc3c(C#N)c[nH]c3n2)c1O ZINC001242344311 781416199 /nfs/dbraw/zinc/41/61/99/781416199.db2.gz IMHVVLMIXHURKZ-UHFFFAOYSA-N 0 1 250.261 2.511 20 30 CFEDMN COC(=O)c1cc(C#N)ccc1-c1cccc(F)c1O ZINC001242351024 781422511 /nfs/dbraw/zinc/42/25/11/781422511.db2.gz NHRPPRLKYMTPEX-UHFFFAOYSA-N 0 1 271.247 2.857 20 30 CFEDMN C=C(C)CCN1CCO[C@@](C)(CNC(=O)C(C)(C)CC)C1 ZINC001108171666 781425064 /nfs/dbraw/zinc/42/50/64/781425064.db2.gz ODEORCWHGOWZTR-KRWDZBQOSA-N 0 1 296.455 2.596 20 30 CFEDMN COc1ncc(-c2nccc3[nH]cc(C#N)c32)cc1C ZINC001242430719 781495479 /nfs/dbraw/zinc/49/54/79/781495479.db2.gz MZZRLQNFSJDSLC-UHFFFAOYSA-N 0 1 264.288 2.814 20 30 CFEDMN Cc1cc(C#N)ccc1-c1ccc(CN(C)C)cn1 ZINC001242471853 781528404 /nfs/dbraw/zinc/52/84/04/781528404.db2.gz CCTCRIYYUOPHKM-UHFFFAOYSA-N 0 1 251.333 2.990 20 30 CFEDMN C=C(C)C[N@@H+]1C[C@@H](C)[C@H](NC(=O)C[C@H]2C=CCCC2)C1 ZINC001079946466 781626861 /nfs/dbraw/zinc/62/68/61/781626861.db2.gz PQHHQWQRMIWIDA-OWCLPIDISA-N 0 1 276.424 2.745 20 30 CFEDMN C=CCN1C[C@@H](C)[C@H](NC(=O)c2oc(C(F)F)cc2C)C1 ZINC001079893431 781627189 /nfs/dbraw/zinc/62/71/89/781627189.db2.gz QHTMNXPOGRJWCO-GHMZBOCLSA-N 0 1 298.333 2.762 20 30 CFEDMN C=CCN1C[C@@H](C)[C@H](NC(=O)c2c(F)ccc(C)c2F)C1 ZINC001080385974 781654059 /nfs/dbraw/zinc/65/40/59/781654059.db2.gz UVFOUJFMCIIDCP-DGCLKSJQSA-N 0 1 294.345 2.509 20 30 CFEDMN C=CCN1C[C@@H](C)[C@H](NC(=O)c2cc3ccccc3o2)C1 ZINC001080891678 781683076 /nfs/dbraw/zinc/68/30/76/781683076.db2.gz WVZRRNJLDJRNKK-TZMCWYRMSA-N 0 1 284.359 2.669 20 30 CFEDMN C=CCN1C[C@@H](C)[C@H](NC(=O)[C@]2(C)CC=C(C)CC2)C1 ZINC001080979273 781688362 /nfs/dbraw/zinc/68/83/62/781688362.db2.gz IOCFXRSUVVMBFI-BFYDXBDKSA-N 0 1 276.424 2.745 20 30 CFEDMN C=C(C)CN1CC[C@@H]2CN(C(=O)c3ccoc3CC)[C@@H]2C1 ZINC001084316951 781789118 /nfs/dbraw/zinc/78/91/18/781789118.db2.gz TXRFNWXQJRMYKP-UKRRQHHQSA-N 0 1 288.391 2.564 20 30 CFEDMN C=C(C)C[N@H+]1CC[C@@H]2CN(C(=O)C34CCC(CC3)C4)[C@@H]2C1 ZINC001084454631 781795308 /nfs/dbraw/zinc/79/53/08/781795308.db2.gz YMUSXVOPZYVGPB-GARNVTTQSA-N 0 1 288.435 2.676 20 30 CFEDMN C=C(C)CN1CC[C@@H]2CN(C(=O)C34CCC(CC3)C4)[C@@H]2C1 ZINC001084454631 781795317 /nfs/dbraw/zinc/79/53/17/781795317.db2.gz YMUSXVOPZYVGPB-GARNVTTQSA-N 0 1 288.435 2.676 20 30 CFEDMN C=C(C)CN1CC[C@@H]2CN(C(=O)C(C)(C)C(=C)C)[C@@H]2C1 ZINC001084573879 781803746 /nfs/dbraw/zinc/80/37/46/781803746.db2.gz FKNVSISAEGBQEC-HUUCEWRRSA-N 0 1 276.424 2.698 20 30 CFEDMN N#Cc1c[nH]c2ccnc(-c3c[nH]c4ncccc34)c12 ZINC001242861789 781806314 /nfs/dbraw/zinc/80/63/14/781806314.db2.gz HJZMTCCLLYWHCZ-UHFFFAOYSA-N 0 1 259.272 2.978 20 30 CFEDMN C=CCN1CC[C@@H]2CN(C(=O)c3ccccc3CC)[C@@H]2C1 ZINC001084614131 781810794 /nfs/dbraw/zinc/81/07/94/781810794.db2.gz GHJAJXBGGSLQAG-NVXWUHKLSA-N 0 1 284.403 2.581 20 30 CFEDMN C=CCN1CC[C@@H]2CN(C(=O)CCc3ccccc3C)[C@@H]2C1 ZINC001084683271 781818726 /nfs/dbraw/zinc/81/87/26/781818726.db2.gz ZFEDSXVOCFFFKQ-QZTJIDSGSA-N 0 1 298.430 2.646 20 30 CFEDMN CC#CCN1CC(C)(C)CC[C@H]1CNC(=O)[C@@H](C)CC ZINC001098915499 781833166 /nfs/dbraw/zinc/83/31/66/781833166.db2.gz JNBJCUZRSSRXOJ-GJZGRUSLSA-N 0 1 278.440 2.663 20 30 CFEDMN C=CCN1CC(C)(C)CC[C@H]1CNC(=O)CSC(C)C ZINC001098916887 781838787 /nfs/dbraw/zinc/83/87/87/781838787.db2.gz VEJAXSKXJARJCP-AWEZNQCLSA-N 0 1 298.496 2.921 20 30 CFEDMN C=C[C@@H](CCC(=O)[O-])[NH2+]Cc1csc(C(F)(F)F)n1 ZINC001120001361 781889537 /nfs/dbraw/zinc/88/95/37/781889537.db2.gz KHOOKNSOJGDUSI-ZETCQYMHSA-N 0 1 294.298 2.671 20 30 CFEDMN C=CCCSCCN[C@@H](C(=O)N(C)C)c1ccccc1 ZINC000594713683 349479071 /nfs/dbraw/zinc/47/90/71/349479071.db2.gz VHSXLSXILIWHRN-OAHLLOKOSA-N 0 1 292.448 2.715 20 30 CFEDMN N#CCCCCNCc1c(F)cncc1Br ZINC000594927054 349512426 /nfs/dbraw/zinc/51/24/26/349512426.db2.gz RFVMHZJRMDFVCR-UHFFFAOYSA-N 0 1 286.148 2.767 20 30 CFEDMN FC(F)(F)c1ccc(C#CCNCC2=CCCOC2)cc1 ZINC000127701249 187327418 /nfs/dbraw/zinc/32/74/18/187327418.db2.gz LTFKYILZVZTPQS-UHFFFAOYSA-N 0 1 295.304 2.993 20 30 CFEDMN CCc1nc([C@H](C)NCc2ccc(C3(C#N)CC3)cc2)n[nH]1 ZINC000594935291 349517813 /nfs/dbraw/zinc/51/78/13/349517813.db2.gz IVJZELBGLPTNLW-LBPRGKRZSA-N 0 1 295.390 2.773 20 30 CFEDMN CCn1nccc1CNC(C)(C)c1cccc(C#N)c1 ZINC000594969301 349535264 /nfs/dbraw/zinc/53/52/64/349535264.db2.gz OOQPWPAUZJUQSE-UHFFFAOYSA-N 0 1 268.364 2.800 20 30 CFEDMN C[C@H](O)[C@H](NCc1ccc(C#N)s1)c1ccccc1 ZINC000595009546 349548459 /nfs/dbraw/zinc/54/84/59/349548459.db2.gz YBCADKLVHVIKDO-NHYWBVRUSA-N 0 1 272.373 2.831 20 30 CFEDMN C=CCCSCCN[C@@H]1C[C@@H](C)n2ccnc21 ZINC000595060978 349571480 /nfs/dbraw/zinc/57/14/80/349571480.db2.gz WWBYGIXNZPPADG-VXGBXAGGSA-N 0 1 251.399 2.788 20 30 CFEDMN COC(=O)CN(CCc1ccc(C#N)cc1)C1CCCC1 ZINC000595347965 349607373 /nfs/dbraw/zinc/60/73/73/349607373.db2.gz WMIOVJILPCVPKS-UHFFFAOYSA-N 0 1 286.375 2.518 20 30 CFEDMN N#Cc1ccc(CCN2CCN(c3cccs3)CC2)cc1 ZINC000595337928 349605514 /nfs/dbraw/zinc/60/55/14/349605514.db2.gz DIOCOBRTFKCMFB-UHFFFAOYSA-N 0 1 297.427 2.984 20 30 CFEDMN CN(C)[C@H](CNc1ccc(Cl)c(C#N)n1)c1ccco1 ZINC000068658597 346862912 /nfs/dbraw/zinc/86/29/12/346862912.db2.gz WPCMEGRSYJMPAI-GFCCVEGCSA-N 0 1 290.754 2.914 20 30 CFEDMN CC[C@@H](CC#N)NCCc1ccc2c(c1)OC(F)(F)O2 ZINC000595528795 349652179 /nfs/dbraw/zinc/65/21/79/349652179.db2.gz FMWKEUZBGKQILB-NSHDSACASA-N 0 1 282.290 2.832 20 30 CFEDMN CN(Cc1ccccc1C#N)[C@@H](CO)Cc1ccccc1 ZINC000595593724 349668033 /nfs/dbraw/zinc/66/80/33/349668033.db2.gz YSSLFFXEPASNKT-GOSISDBHSA-N 0 1 280.371 2.594 20 30 CFEDMN CN(Cc1ccc(C#N)cc1F)[C@@H](CO)Cc1ccccc1 ZINC000595599561 349669705 /nfs/dbraw/zinc/66/97/05/349669705.db2.gz YLOCPWCFZLQQAE-QGZVFWFLSA-N 0 1 298.361 2.733 20 30 CFEDMN C[C@H](C(=O)N(C)Cc1ccccc1)N1CCC[C@@H](CC#N)C1 ZINC000595611128 349674752 /nfs/dbraw/zinc/67/47/52/349674752.db2.gz HFILNQBTEKKECY-WBVHZDCISA-N 0 1 299.418 2.659 20 30 CFEDMN N#CC[C@@H]1CCCN(Cc2cnn(-c3ccccc3)c2)C1 ZINC000595612361 349675876 /nfs/dbraw/zinc/67/58/76/349675876.db2.gz UTASHENAXHBKHD-HNNXBMFYSA-N 0 1 280.375 2.998 20 30 CFEDMN CN(C)C(=O)c1cccc(CN2CCC[C@@H](CC#N)C2)c1 ZINC000595611925 349675939 /nfs/dbraw/zinc/67/59/39/349675939.db2.gz PIQYQVMCZYIKFS-AWEZNQCLSA-N 0 1 285.391 2.514 20 30 CFEDMN Cc1nc2ccccn2c1CN1CCC[C@@H](CC#N)C1 ZINC000595617067 349678055 /nfs/dbraw/zinc/67/80/55/349678055.db2.gz SMPIHSTZUGJTKW-AWEZNQCLSA-N 0 1 268.364 2.768 20 30 CFEDMN CC(=O)Nc1cccc(CN2CCC[C@@H](CC#N)C2)c1 ZINC000595617496 349678710 /nfs/dbraw/zinc/67/87/10/349678710.db2.gz ZZTKJXAUZGETAI-AWEZNQCLSA-N 0 1 271.364 2.771 20 30 CFEDMN COc1cccc(OCC[N@H+]2CCC[C@H](CC#N)C2)c1 ZINC000595619439 349678863 /nfs/dbraw/zinc/67/88/63/349678863.db2.gz BCTANSVBILZOAW-CQSZACIVSA-N 0 1 274.364 2.700 20 30 CFEDMN COc1ccnc(CNC(C)(C)c2cccc(C#N)c2)c1 ZINC000595634871 349684591 /nfs/dbraw/zinc/68/45/91/349684591.db2.gz GVJARKWSJHFWAK-UHFFFAOYSA-N 0 1 281.359 2.987 20 30 CFEDMN C[C@@H]1CCCN(C(=O)CNC(C)(C)c2cccc(C#N)c2)C1 ZINC000595641144 349686843 /nfs/dbraw/zinc/68/68/43/349686843.db2.gz CBUOZVSTLBTNEF-CQSZACIVSA-N 0 1 299.418 2.641 20 30 CFEDMN Cc1c(-c2cc(CN3CCC[C@H](CC#N)C3)on2)cnn1C ZINC000595619838 349679710 /nfs/dbraw/zinc/67/97/10/349679710.db2.gz HIBAFTSNORUJAD-CYBMUJFWSA-N 0 1 299.378 2.509 20 30 CFEDMN C[C@@]1(C2CC2)CN(Cc2ccc(CC#N)cc2)CCO1 ZINC000595627364 349682792 /nfs/dbraw/zinc/68/27/92/349682792.db2.gz XRLXCJAONLVGLI-KRWDZBQOSA-N 0 1 270.376 2.754 20 30 CFEDMN C=C(C)CCN1CCN(c2ccsc2C#N)CC1 ZINC000595629749 349683136 /nfs/dbraw/zinc/68/31/36/349683136.db2.gz JXLTZPYBXLPIQD-UHFFFAOYSA-N 0 1 261.394 2.708 20 30 CFEDMN C=CCN(CC=C)C(=O)CNC(C)(C)c1cccc(C#N)c1 ZINC000595643247 349687795 /nfs/dbraw/zinc/68/77/95/349687795.db2.gz WITZTNOWKUWMQE-UHFFFAOYSA-N 0 1 297.402 2.584 20 30 CFEDMN C[C@@]12COC[C@]1(C)C[N@H+](Cc1cc(C#N)ccc1F)C2 ZINC000595690949 349702253 /nfs/dbraw/zinc/70/22/53/349702253.db2.gz RXOPWLNBULLIIA-IYBDPMFKSA-N 0 1 274.339 2.556 20 30 CFEDMN C[C@@]12COC[C@]1(C)CN(Cc1cc(C#N)ccc1F)C2 ZINC000595690949 349702255 /nfs/dbraw/zinc/70/22/55/349702255.db2.gz RXOPWLNBULLIIA-IYBDPMFKSA-N 0 1 274.339 2.556 20 30 CFEDMN C[C@@H](CO)[C@@H]1CCCCN1Cc1cc(F)ccc1C#N ZINC000595671984 349695633 /nfs/dbraw/zinc/69/56/33/349695633.db2.gz GYENMARJRVLGRX-LRDDRELGSA-N 0 1 276.355 2.680 20 30 CFEDMN CCC1(CC)CCCN(CC(=O)N[C@](C)(C#N)C(C)C)C1 ZINC000595750982 349722766 /nfs/dbraw/zinc/72/27/66/349722766.db2.gz BKBJCSOKBDFKRZ-MRXNPFEDSA-N 0 1 293.455 2.943 20 30 CFEDMN CC(C)[C@](C)(C#N)NC(=O)[C@@H](C)N1CCC[C@@H](CCF)C1 ZINC000595755032 349724477 /nfs/dbraw/zinc/72/44/77/349724477.db2.gz FGVBULCOEDZIJN-YCPHGPKFSA-N 0 1 297.418 2.501 20 30 CFEDMN CN(c1ccccc1)[C@H]1CCN(CC2(C#N)CC2)C1 ZINC000595825692 349743439 /nfs/dbraw/zinc/74/34/39/349743439.db2.gz FKGMTRNPLYVOAJ-HNNXBMFYSA-N 0 1 255.365 2.501 20 30 CFEDMN C[C@H](O)[C@H]1CCCN1Cc1ccc(C#N)cc1OC(F)F ZINC000595766556 349728546 /nfs/dbraw/zinc/72/85/46/349728546.db2.gz PKDFPTRLSWAETL-GXFFZTMASA-N 0 1 296.317 2.505 20 30 CFEDMN CC(C)(C)OC(=O)CCCCN1CC[C@@](C)(C#N)C1 ZINC000595843249 349752572 /nfs/dbraw/zinc/75/25/72/349752572.db2.gz JRKHKTJTJKRWQZ-HNNXBMFYSA-N 0 1 266.385 2.734 20 30 CFEDMN C[C@@]1(C#N)CCN(CCCOCc2ccccc2)C1 ZINC000595845191 349753923 /nfs/dbraw/zinc/75/39/23/349753923.db2.gz ZGVRUNDQEAYXSG-INIZCTEOSA-N 0 1 258.365 2.829 20 30 CFEDMN C=C1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1cc([O-])ccc1[N+](=O)[O-] ZINC000595845615 349753965 /nfs/dbraw/zinc/75/39/65/349753965.db2.gz REVCPTJMHJWCJD-BETUJISGSA-N 0 1 274.320 2.983 20 30 CFEDMN CCn1nccc1CNCc1cccc(OCCCC#N)c1 ZINC000596063181 349784474 /nfs/dbraw/zinc/78/44/74/349784474.db2.gz ZYPFLCIATLQDDX-UHFFFAOYSA-N 0 1 298.390 2.875 20 30 CFEDMN CCn1nccc1CN[C@H](C)c1ccc(C#N)c(F)c1 ZINC000596095974 349793693 /nfs/dbraw/zinc/79/36/93/349793693.db2.gz SMKOODSOSIPJSE-LLVKDONJSA-N 0 1 272.327 2.765 20 30 CFEDMN CC[C@@]1(C)CCCN([C@H](C(N)=O)c2ccc(C#N)cc2)C1 ZINC000072803174 346941613 /nfs/dbraw/zinc/94/16/13/346941613.db2.gz NNGXCURAGRZSBO-RDJZCZTQSA-N 0 1 285.391 2.597 20 30 CFEDMN Cc1cccc(NC(=O)C(C#N)C(=O)[C@@H]2[C@H](C)[C@@H]2C2CC2)c1 ZINC000528918173 383677429 /nfs/dbraw/zinc/67/74/29/383677429.db2.gz HYRAMMCQGIRQIO-RAEVTNRLSA-N 0 1 296.370 2.935 20 30 CFEDMN CO[C@H](CNc1nc(C#N)c(Cl)s1)CC(C)C ZINC000596271749 349849200 /nfs/dbraw/zinc/84/92/00/349849200.db2.gz HGYGESIDSOPFQJ-QMMMGPOBSA-N 0 1 273.789 2.563 20 30 CFEDMN CCO[C@@H]1CCCC[C@H]1Nc1nc(C#N)c(Cl)s1 ZINC000596259990 349844775 /nfs/dbraw/zinc/84/47/75/349844775.db2.gz FDOUGSRHYILPBE-PSASIEDQSA-N 0 1 285.800 2.850 20 30 CFEDMN CC(C)(NC[C@H](O)c1ccc(C#N)cc1)c1nccs1 ZINC000128172994 187355337 /nfs/dbraw/zinc/35/53/37/187355337.db2.gz RTSBSMMVIPAVMY-ZDUSSCGKSA-N 0 1 287.388 2.573 20 30 CFEDMN C=CCCCCCNC(=O)N1CCN([C@H](C)CC)CC1 ZINC000573576084 334948843 /nfs/dbraw/zinc/94/88/43/334948843.db2.gz LBXRCZNYJAIELU-OAHLLOKOSA-N 0 1 281.444 2.859 20 30 CFEDMN CN(Cc1ccc(Cl)cc1C#N)[C@@H]1CCCC[C@H]1O ZINC000426215040 529985217 /nfs/dbraw/zinc/98/52/17/529985217.db2.gz KQCVQFXTLPRULW-HUUCEWRRSA-N 0 1 278.783 2.947 20 30 CFEDMN C[N@@H+]1CCCC[C@@H]1CCC(=O)Nc1ncccc1[O-] ZINC000330295133 530052221 /nfs/dbraw/zinc/05/22/21/530052221.db2.gz JCRWKZUYVXQQBJ-LLVKDONJSA-N 0 1 263.341 2.640 20 30 CFEDMN C[N@H+]1CCCC[C@@H]1CCC(=O)Nc1ncccc1[O-] ZINC000330295133 530052222 /nfs/dbraw/zinc/05/22/22/530052222.db2.gz JCRWKZUYVXQQBJ-LLVKDONJSA-N 0 1 263.341 2.640 20 30 CFEDMN CC[C@](C)(NCCOCCC#N)c1nc(C)cs1 ZINC000293734402 263148249 /nfs/dbraw/zinc/14/82/49/263148249.db2.gz GYZNOYNSYNCOKA-ZDUSSCGKSA-N 0 1 267.398 2.597 20 30 CFEDMN CCCNC(=O)C1(NCC#Cc2ccccc2)CCCCC1 ZINC000192114063 535007531 /nfs/dbraw/zinc/00/75/31/535007531.db2.gz GKYVTQIQBHNETO-UHFFFAOYSA-N 0 1 298.430 2.857 20 30 CFEDMN C[C@@H]1CCCN(Cc2nnc(-c3cccc(C#N)c3)o2)C1 ZINC000075616433 347087756 /nfs/dbraw/zinc/08/77/56/347087756.db2.gz JDAPWTURKHASFI-GFCCVEGCSA-N 0 1 282.347 2.840 20 30 CFEDMN N#Cc1ncccc1NC[C@H]1CCN1Cc1ccccc1 ZINC000596556996 349940732 /nfs/dbraw/zinc/94/07/32/349940732.db2.gz DMWBMLFDKGSMKG-OAHLLOKOSA-N 0 1 278.359 2.640 20 30 CFEDMN CCCN(CC(=O)N[C@](C)(C#N)C1CC1)Cc1ccccc1 ZINC000011203153 346229358 /nfs/dbraw/zinc/22/93/58/346229358.db2.gz IDUCGGNTYAREKD-GOSISDBHSA-N 0 1 299.418 2.707 20 30 CFEDMN C=CCNC(=O)[C@@H](C)Sc1nc2ccc(Cl)cc2[nH]1 ZINC000016827669 346239275 /nfs/dbraw/zinc/23/92/75/346239275.db2.gz IOKUPEKCHZDEDQ-MRVPVSSYSA-N 0 1 295.795 2.999 20 30 CFEDMN Cc1cc(CN2CCCc3n[nH]cc3C2)ccc1C#N ZINC000596593525 349951230 /nfs/dbraw/zinc/95/12/30/349951230.db2.gz MVYCFSYKNMRAQI-UHFFFAOYSA-N 0 1 266.348 2.538 20 30 CFEDMN CN(Cc1cccc(C#N)c1)C(=O)c1cccc2n[nH]cc21 ZINC000042042397 346359352 /nfs/dbraw/zinc/35/93/52/346359352.db2.gz NQTVALCVGIHYDQ-UHFFFAOYSA-N 0 1 290.326 2.707 20 30 CFEDMN CCCCNC(=O)CN(CCC)Cc1ccc(C#N)cc1 ZINC000047726563 346458172 /nfs/dbraw/zinc/45/81/72/346458172.db2.gz AUXGGLFLNJQZIC-UHFFFAOYSA-N 0 1 287.407 2.687 20 30 CFEDMN Cc1cccc(N(CCC#N)C(=O)CN(C)CC2CC2)c1C ZINC000052128593 346515674 /nfs/dbraw/zinc/51/56/74/346515674.db2.gz DMWWCHULMPHMGI-UHFFFAOYSA-N 0 1 299.418 2.892 20 30 CFEDMN CCC1CCN([C@@H](C)C(=O)NC2(C#N)CCCCC2)CC1 ZINC000052279728 346520177 /nfs/dbraw/zinc/52/01/77/346520177.db2.gz ZAAUHMWLVKQYMT-AWEZNQCLSA-N 0 1 291.439 2.840 20 30 CFEDMN C=C(C)CN(CC)Cc1cc(C(=O)OC)oc1C ZINC000050030968 346488874 /nfs/dbraw/zinc/48/88/74/346488874.db2.gz URLPGFFTPUNUBI-UHFFFAOYSA-N 0 1 251.326 2.773 20 30 CFEDMN C#CCN(CC)C(=O)c1cc(-c2ccc(Cl)cc2)[nH]n1 ZINC000056358762 346607641 /nfs/dbraw/zinc/60/76/41/346607641.db2.gz VASCZAGGUWMYNY-UHFFFAOYSA-N 0 1 287.750 2.825 20 30 CFEDMN CCCCN1CCN(c2ccc(C#N)cc2F)CC1 ZINC000060359797 346663162 /nfs/dbraw/zinc/66/31/62/346663162.db2.gz YNARFFASNAQCQZ-UHFFFAOYSA-N 0 1 261.344 2.619 20 30 CFEDMN CN(C(=O)c1cccc2[nH]ncc21)c1cccc(C#N)c1 ZINC000064320882 346717768 /nfs/dbraw/zinc/71/77/68/346717768.db2.gz HKFVKUSCZCXGOW-UHFFFAOYSA-N 0 1 276.299 2.711 20 30 CFEDMN C=C(C)CN(CC)CC(=O)N[C@@H](C)c1ccccc1OC ZINC000061758752 346682489 /nfs/dbraw/zinc/68/24/89/346682489.db2.gz AGUCXIFJNDUNLK-AWEZNQCLSA-N 0 1 290.407 2.770 20 30 CFEDMN N#CCCCN1CCC[C@H]1c1cccc2c1OCCO2 ZINC000066899554 346783329 /nfs/dbraw/zinc/78/33/29/346783329.db2.gz JWXWRTDCHQCUFR-AWEZNQCLSA-N 0 1 272.348 2.898 20 30 CFEDMN CN1CCC(C#N)(NC(=O)c2cccc3ccccc32)CC1 ZINC000077038205 347165196 /nfs/dbraw/zinc/16/51/96/347165196.db2.gz VMBIXNRAHDBEII-UHFFFAOYSA-N 0 1 293.370 2.558 20 30 CFEDMN CCC1CCN([C@H]2CCN(c3ccc(C#N)cc3)C2=O)CC1 ZINC000077212122 347174339 /nfs/dbraw/zinc/17/43/39/347174339.db2.gz QUFLKGCUFBHOHK-KRWDZBQOSA-N 0 1 297.402 2.786 20 30 CFEDMN C[C@H](NCc1cnc(N(C)C)s1)c1ccc(C#N)cc1 ZINC000077326221 347186281 /nfs/dbraw/zinc/18/62/81/347186281.db2.gz BXDNARYNTZIBBF-NSHDSACASA-N 0 1 286.404 2.932 20 30 CFEDMN CC(C)(C#N)CCSc1nc(-c2ccccn2)n[nH]1 ZINC000078983513 347283070 /nfs/dbraw/zinc/28/30/70/347283070.db2.gz KGILMSLSFUBWAK-UHFFFAOYSA-N 0 1 273.365 2.899 20 30 CFEDMN C=CCN(CCC(C)(C)O)Cc1ccccc1F ZINC000081667381 347431745 /nfs/dbraw/zinc/43/17/45/347431745.db2.gz KSQWQHMEAZRQRW-UHFFFAOYSA-N 0 1 251.345 2.975 20 30 CFEDMN CN1CCN(CC2(CC#N)CC2)[C@H](c2ccccc2)C1 ZINC000088259219 347500571 /nfs/dbraw/zinc/50/05/71/347500571.db2.gz HQJQEJIFWJOAEK-INIZCTEOSA-N 0 1 269.392 2.669 20 30 CFEDMN C[C@@H]([C@H]1Cc2ccccc2O1)N(C)Cc1ccc(C#N)o1 ZINC000092063815 347607840 /nfs/dbraw/zinc/60/78/40/347607840.db2.gz UOSJULYSSWSLRN-YVEFUNNKSA-N 0 1 282.343 2.975 20 30 CFEDMN C[C@@H](NCc1cc(C#N)cs1)c1ccc2[nH]c(=O)[nH]c2c1 ZINC000093492649 347677371 /nfs/dbraw/zinc/67/73/71/347677371.db2.gz NMHVLWLYQSUKJT-SECBINFHSA-N 0 1 298.371 2.640 20 30 CFEDMN CC[N@H+]1CCN(c2cc(Cl)ccc2C#N)C[C@@H]1C ZINC000110750710 347750330 /nfs/dbraw/zinc/75/03/30/347750330.db2.gz WUOAMIUCYCETHZ-NSHDSACASA-N 0 1 263.772 2.742 20 30 CFEDMN CCN1CCN(c2cc(Cl)ccc2C#N)C[C@@H]1C ZINC000110750710 347750333 /nfs/dbraw/zinc/75/03/33/347750333.db2.gz WUOAMIUCYCETHZ-NSHDSACASA-N 0 1 263.772 2.742 20 30 CFEDMN O=C(NO)[C@H]1CCCC[C@@H]1c1nc2ccc(Cl)cc2[nH]1 ZINC000671996957 539578766 /nfs/dbraw/zinc/57/87/66/539578766.db2.gz XEFLTMXWJNUDEU-UWVGGRQHSA-N 0 1 293.754 2.996 20 30 CFEDMN Cc1cc(C#N)ccc1CN[C@H](CO)c1ccccc1 ZINC000165289945 348038631 /nfs/dbraw/zinc/03/86/31/348038631.db2.gz IBDFOKGEOYQQED-QGZVFWFLSA-N 0 1 266.344 2.690 20 30 CFEDMN N#Cc1ccc(C(=O)N2CCc3ccc(F)cc32)cc1O ZINC000188395088 348132186 /nfs/dbraw/zinc/13/21/86/348132186.db2.gz LNBLTISAZSVGNT-UHFFFAOYSA-N 0 1 282.274 2.606 20 30 CFEDMN C=CCOc1ccccc1C[N@@H+]1C[C@@H]2COC[C@@]2(C)C1 ZINC000668594823 539605179 /nfs/dbraw/zinc/60/51/79/539605179.db2.gz HIVPSBMSMZNTPG-NVXWUHKLSA-N 0 1 273.376 2.720 20 30 CFEDMN COc1cc(CN2C[C@@H](C)S[C@@H](C)C2)ccc1C#N ZINC000235011028 348224181 /nfs/dbraw/zinc/22/41/81/348224181.db2.gz LANMTFNQSPFMTL-TXEJJXNPSA-N 0 1 276.405 2.893 20 30 CFEDMN N#C[C@H]1CC[C@@H](Sc2nc(-c3ccccn3)n[nH]2)C1 ZINC000278643789 348338950 /nfs/dbraw/zinc/33/89/50/348338950.db2.gz VMDGFXJJPJNZBU-VHSXEESVSA-N 0 1 271.349 2.651 20 30 CFEDMN Cc1ccc2nc([C@H]3CCCN3C(=O)[C@@H](C)C#N)[nH]c2c1 ZINC000335999126 348450436 /nfs/dbraw/zinc/45/04/36/348450436.db2.gz QHKAOFFWTIFZGW-SMDDNHRTSA-N 0 1 282.347 2.695 20 30 CFEDMN Cc1ccc2nc([C@@H]3CCCN3C(=O)[C@@H](C)C#N)[nH]c2c1 ZINC000335999124 348450478 /nfs/dbraw/zinc/45/04/78/348450478.db2.gz QHKAOFFWTIFZGW-FZMZJTMJSA-N 0 1 282.347 2.695 20 30 CFEDMN N#CC[C@@H]1CCCN(C(=O)c2ccc(O)c(Cl)c2)C1 ZINC000397873301 348566001 /nfs/dbraw/zinc/56/60/01/348566001.db2.gz XYUYAFDEYIOSFI-JTQLQIEISA-N 0 1 278.739 2.811 20 30 CFEDMN C#CCN1CCC(c2nc(-c3ccc(C)s3)no2)CC1 ZINC000491553508 348628552 /nfs/dbraw/zinc/62/85/52/348628552.db2.gz ANNJBQSLFYIULN-UHFFFAOYSA-N 0 1 287.388 2.919 20 30 CFEDMN C=C(Cl)CN1C[C@@H](CNC(=O)OC(C)(C)C)C[C@@H]1C ZINC000493805473 348636678 /nfs/dbraw/zinc/63/66/78/348636678.db2.gz KCAIYZMNSJHZBF-NWDGAFQWSA-N 0 1 288.819 2.974 20 30 CFEDMN CCOC(=O)CC(C)(C)CCN1CCC[C@@](C)(C#N)C1 ZINC000588204741 348779600 /nfs/dbraw/zinc/77/96/00/348779600.db2.gz FHHHBPHLZDACAK-INIZCTEOSA-N 0 1 280.412 2.982 20 30 CFEDMN Cc1ccc(-c2n[nH]c(NC(=O)CCCCCC#N)n2)o1 ZINC000588650309 348790529 /nfs/dbraw/zinc/79/05/29/348790529.db2.gz UNKBUAKEQMTSTL-UHFFFAOYSA-N 0 1 287.323 2.786 20 30 CFEDMN Cc1ccncc1[C@H](C)NCc1cnc2ccc(C#N)cn12 ZINC000585766823 348743648 /nfs/dbraw/zinc/74/36/48/348743648.db2.gz VVEOQUZCFMSAFP-ZDUSSCGKSA-N 0 1 291.358 2.760 20 30 CFEDMN CC(C)[C@@](C)(C#N)NC(=O)[C@@H](C)N1CCC2(CCC2)CC1 ZINC000586783389 348751134 /nfs/dbraw/zinc/75/11/34/348751134.db2.gz SLODUKGRAQRION-GDBMZVCRSA-N 0 1 291.439 2.695 20 30 CFEDMN COC(=O)c1cccc(CN2CCC[C@@H](C3CC3)C2)c1C#N ZINC000588978388 348806903 /nfs/dbraw/zinc/80/69/03/348806903.db2.gz YJTWRBMCMZXTJB-CQSZACIVSA-N 0 1 298.386 2.967 20 30 CFEDMN CC[C@H]1CN(C)CCN1c1nc(C(C)(C)C)ccc1C#N ZINC000590146690 348878519 /nfs/dbraw/zinc/87/85/19/348878519.db2.gz BUWMGMRCOZCATB-AWEZNQCLSA-N 0 1 286.423 2.781 20 30 CFEDMN Cc1cc(C#N)ccc1CN[C@](C)(CO)c1cccc(O)c1 ZINC000590742329 348940065 /nfs/dbraw/zinc/94/00/65/348940065.db2.gz KVYNNIWJCFJHJX-GOSISDBHSA-N 0 1 296.370 2.570 20 30 CFEDMN Cc1cc2[nH]ncc2cc1NC(=O)CC1(C#N)CC1 ZINC000590340762 348895678 /nfs/dbraw/zinc/89/56/78/348895678.db2.gz VVSMAMUHNNGYLN-UHFFFAOYSA-N 0 1 254.293 2.504 20 30 CFEDMN C[C@H]1Cc2cn[nH]c2[C@@H](C(=O)Nc2cccc(C#N)c2)C1 ZINC000590416127 348899870 /nfs/dbraw/zinc/89/98/70/348899870.db2.gz XXBUCFDZJULNFZ-HZMBPMFUSA-N 0 1 280.331 2.586 20 30 CFEDMN CC(C)(CC#N)CNCc1cn2cccc(F)c2n1 ZINC000590970601 348974469 /nfs/dbraw/zinc/97/44/69/348974469.db2.gz VJZHDACPZKHGIO-UHFFFAOYSA-N 0 1 260.316 2.503 20 30 CFEDMN N#CCC[C@H](C#N)CN1CCSC2(CCC2)CC1 ZINC000591041766 348981736 /nfs/dbraw/zinc/98/17/36/348981736.db2.gz MJKKNHKCVOJJNX-CYBMUJFWSA-N 0 1 263.410 2.792 20 30 CFEDMN Cc1n[nH]cc1[C@H](C)NCc1ccc(C#N)c(F)c1 ZINC000590780071 348949159 /nfs/dbraw/zinc/94/91/59/348949159.db2.gz LYDNDUXSANCXFG-VIFPVBQESA-N 0 1 258.300 2.580 20 30 CFEDMN C[C@H]1CC(C)(C)C[C@@](CO)(NCc2ccncc2C#N)C1 ZINC000592079647 349080638 /nfs/dbraw/zinc/08/06/38/349080638.db2.gz DKFIVYNQMZXQSB-GUYCJALGSA-N 0 1 287.407 2.620 20 30 CFEDMN C[C@H]1CC[C@@]2(CCN(Cc3ccncc3C#N)C2)C1 ZINC000592099360 349082300 /nfs/dbraw/zinc/08/23/00/349082300.db2.gz GUJKMBVSIUOWEB-XJKSGUPXSA-N 0 1 255.365 2.965 20 30 CFEDMN CC(C)C[C@@H]1OCCC[C@@H]1NCc1ccncc1C#N ZINC000592107017 349084285 /nfs/dbraw/zinc/08/42/85/349084285.db2.gz CNNAHSLJJKDOAV-HOTGVXAUSA-N 0 1 273.380 2.637 20 30 CFEDMN N#Cc1ccc(-c2nc([C@@H]3CCCN3)no2)cc1Cl ZINC000592356814 349107578 /nfs/dbraw/zinc/10/75/78/349107578.db2.gz BXYOPENVKYCWEF-NSHDSACASA-N 0 1 274.711 2.686 20 30 CFEDMN C[C@@]12CN(Cc3ccncc3C#N)C[C@@H]1[C@@H]1C=C[C@H]2C1 ZINC000592127146 349087872 /nfs/dbraw/zinc/08/78/72/349087872.db2.gz UNEDQNJKHSIUEP-ZFVVBOAOSA-N 0 1 265.360 2.597 20 30 CFEDMN CC[C@H](c1ccc(F)cc1)N1CC[C@@](O)(CC#N)C1 ZINC000592150521 349091104 /nfs/dbraw/zinc/09/11/04/349091104.db2.gz FVOVNMMJIWYNIS-CABCVRRESA-N 0 1 262.328 2.627 20 30 CFEDMN N#CC[C@H](Cc1nc([C@H]2CCCN2)no1)c1ccccc1 ZINC000592356192 349107839 /nfs/dbraw/zinc/10/78/39/349107839.db2.gz GLTNUVORKCFRBM-ZIAGYGMSSA-N 0 1 282.347 2.734 20 30 CFEDMN N#Cc1ccc(CN2CCC(C3(O)CC3)CC2)c(Cl)c1 ZINC000593045060 349193073 /nfs/dbraw/zinc/19/30/73/349193073.db2.gz MVXSJTZSGVLXSU-UHFFFAOYSA-N 0 1 290.794 2.949 20 30 CFEDMN CC[C@@H](C#N)C(=O)Nc1ccc2nc(C(F)F)[nH]c2c1 ZINC000593562396 349293050 /nfs/dbraw/zinc/29/30/50/349293050.db2.gz UYMHFMSJKXUWHP-ZETCQYMHSA-N 0 1 278.262 2.989 20 30 CFEDMN CC[C@H](C#N)C(=O)Nc1ccc2nc([C@@H]3CCCO3)[nH]c2c1 ZINC000593424170 349266987 /nfs/dbraw/zinc/26/69/87/349266987.db2.gz BDZZGMLUCMKYMQ-YGRLFVJLSA-N 0 1 298.346 2.903 20 30 CFEDMN C[C@H]([NH2+]Cc1cc(C#N)cs1)c1nc(C(=O)[O-])cs1 ZINC000593948517 349338790 /nfs/dbraw/zinc/33/87/90/349338790.db2.gz LOUIZHAEPQJICD-ZETCQYMHSA-N 0 1 293.373 2.625 20 30 CFEDMN Cc1nn(C)cc1CNC1(c2ccc(C#N)cc2)CCC1 ZINC000594035869 349358306 /nfs/dbraw/zinc/35/83/06/349358306.db2.gz UXLSRVAQXPTRNR-UHFFFAOYSA-N 0 1 280.375 2.769 20 30 CFEDMN CC[C@H](CC#N)NCC[C@@H](C(=O)OC)c1ccccc1 ZINC000594007776 349352075 /nfs/dbraw/zinc/35/20/75/349352075.db2.gz AJNDVLZJCJFBFB-HUUCEWRRSA-N 0 1 274.364 2.615 20 30 CFEDMN COc1ccc(C(C)C)cc1CN1CC[C@](O)(CC#N)C1 ZINC000594015719 349353720 /nfs/dbraw/zinc/35/37/20/349353720.db2.gz PSZFTXBUDZHETF-QGZVFWFLSA-N 0 1 288.391 2.669 20 30 CFEDMN Cc1cc(CNCC2(C#N)CCCC2)ccc1-n1cncn1 ZINC000593652613 349304280 /nfs/dbraw/zinc/30/42/80/349304280.db2.gz DNNJAQQJFMWGJQ-UHFFFAOYSA-N 0 1 295.390 2.749 20 30 CFEDMN Cc1cc(C2CCN(C(=O)CCCCC#N)CC2)n[nH]1 ZINC000594334032 349408278 /nfs/dbraw/zinc/40/82/78/349408278.db2.gz CPFYAWIGLJLOHM-UHFFFAOYSA-N 0 1 274.368 2.508 20 30 CFEDMN CCN(Cc1cnn(C)c1)Cc1ccc(C2(C#N)CC2)cc1 ZINC000597001465 350015171 /nfs/dbraw/zinc/01/51/71/350015171.db2.gz UHLYCYCGLNQQPY-UHFFFAOYSA-N 0 1 294.402 2.997 20 30 CFEDMN CC(C)(C)c1n[nH]cc1CN1CCC[C@H](CC#N)C1 ZINC000597174696 350044317 /nfs/dbraw/zinc/04/43/17/350044317.db2.gz SXPURBGNKKRFKX-GFCCVEGCSA-N 0 1 260.385 2.833 20 30 CFEDMN Cn1cc(CN2CCC[C@@H](CC#N)C2)c(C(C)(C)C)n1 ZINC000597178519 350045263 /nfs/dbraw/zinc/04/52/63/350045263.db2.gz ZZOBTALINUVLSD-ZDUSSCGKSA-N 0 1 274.412 2.843 20 30 CFEDMN N#CC[C@@H]1CCCN(Cc2ccc3c(n2)CCC3)C1 ZINC000597178508 350045458 /nfs/dbraw/zinc/04/54/58/350045458.db2.gz ZMAXKHHCHBEORA-ZDUSSCGKSA-N 0 1 255.365 2.696 20 30 CFEDMN CC(C)(CCC#N)CN1CCOc2ccc(O)cc2C1 ZINC000597232534 350065690 /nfs/dbraw/zinc/06/56/90/350065690.db2.gz UQWYRPCSEAMRFN-UHFFFAOYSA-N 0 1 274.364 2.917 20 30 CFEDMN C[C@H](CC#N)C(=O)N1C[C@H](C)N(Cc2ccccc2)C[C@H]1C ZINC000597458672 350099840 /nfs/dbraw/zinc/09/98/40/350099840.db2.gz RYCHWFLEEJCQOX-OWCLPIDISA-N 0 1 299.418 2.658 20 30 CFEDMN C[C@H](C#N)C(=O)N(C)[C@@H](C)c1nc2ccc(Cl)cc2[nH]1 ZINC000597726965 350128746 /nfs/dbraw/zinc/12/87/46/350128746.db2.gz XTAFLMXFIHUXSP-BDAKNGLRSA-N 0 1 290.754 2.895 20 30 CFEDMN CCCCCc1cc(C(=O)N(C)CC(C)(C)C#N)n[nH]1 ZINC000597695802 350124905 /nfs/dbraw/zinc/12/49/05/350124905.db2.gz ZSOLTYLHMLVZDD-UHFFFAOYSA-N 0 1 276.384 2.764 20 30 CFEDMN N#CC[C@@H]1CCCN(C(=O)c2cnc(-c3ccccc3)[nH]2)C1 ZINC000597899726 350152063 /nfs/dbraw/zinc/15/20/63/350152063.db2.gz CYOKYGKTZBLSAP-ZDUSSCGKSA-N 0 1 294.358 2.843 20 30 CFEDMN N#CC[C@@H]1CCCN(C(=O)c2cc(-c3ccccc3)[nH]n2)C1 ZINC000597915707 350156562 /nfs/dbraw/zinc/15/65/62/350156562.db2.gz ILXNXWNWCQYDTK-ZDUSSCGKSA-N 0 1 294.358 2.843 20 30 CFEDMN CC1CCN(CC(=O)NC(C)(C)c2cccc(C#N)c2)CC1 ZINC000597951396 350161378 /nfs/dbraw/zinc/16/13/78/350161378.db2.gz XRRXAQZBVAPMEJ-UHFFFAOYSA-N 0 1 299.418 2.641 20 30 CFEDMN C=CCCSCCNC(=O)Cc1[nH]nc2ccccc21 ZINC000597972476 350167271 /nfs/dbraw/zinc/16/72/71/350167271.db2.gz SLQQLERZUBWMGE-UHFFFAOYSA-N 0 1 289.404 2.531 20 30 CFEDMN COCC#CCN(C)Cc1cccc(C(F)(F)F)c1 ZINC000677817861 539790602 /nfs/dbraw/zinc/79/06/02/539790602.db2.gz BXOCBUMEFOGJTB-UHFFFAOYSA-N 0 1 271.282 2.787 20 30 CFEDMN C[C@]1(C#N)CCN(C(=O)c2cc(C3CCCCC3)[nH]n2)C1 ZINC000598418033 350264790 /nfs/dbraw/zinc/26/47/90/350264790.db2.gz QANIBFFBIYMXEG-MRXNPFEDSA-N 0 1 286.379 2.833 20 30 CFEDMN CC(C)(C#N)C[C@H](O)CN1CC(C)(C)[C@H]1c1ccncc1 ZINC000598628971 350297662 /nfs/dbraw/zinc/29/76/62/350297662.db2.gz WDSXGTGDLRPJCW-LSDHHAIUSA-N 0 1 287.407 2.765 20 30 CFEDMN C[C@H]1CCN(Cc2ccc(C#N)cc2Cl)C[C@H]1CO ZINC000598649161 350302116 /nfs/dbraw/zinc/30/21/16/350302116.db2.gz WXVNMKHARODATC-FZMZJTMJSA-N 0 1 278.783 2.662 20 30 CFEDMN CN(Cc1ccc(F)cc1F)C[C@H](O)CC(C)(C)C#N ZINC000598587023 350286379 /nfs/dbraw/zinc/28/63/79/350286379.db2.gz HDIXCEHIXQVIER-CYBMUJFWSA-N 0 1 282.334 2.697 20 30 CFEDMN Cc1nc([C@@H]2CCCN2C[C@H](O)CC(C)(C)C#N)cs1 ZINC000598607172 350293055 /nfs/dbraw/zinc/29/30/55/350293055.db2.gz ITEBRMOWTZUUGK-OCCSQVGLSA-N 0 1 293.436 2.889 20 30 CFEDMN C[C@H]1Cc2cn[nH]c2[C@H](C(=O)Nc2cccc(CC#N)c2)C1 ZINC000598941162 350347285 /nfs/dbraw/zinc/34/72/85/350347285.db2.gz KQTXWLGWKYSZNI-XHDPSFHLSA-N 0 1 294.358 2.780 20 30 CFEDMN C[C@]12CCCC[C@H]1CN2CC(=O)Nc1ccc(C#N)cc1 ZINC000599675904 350478680 /nfs/dbraw/zinc/47/86/80/350478680.db2.gz WORRKVZXCVYIPE-YOEHRIQHSA-N 0 1 283.375 2.761 20 30 CFEDMN N#CC1(CNCc2cccc3n[nH]cc32)CCCC1 ZINC000600173135 350530317 /nfs/dbraw/zinc/53/03/17/350530317.db2.gz MMJWELHEGTYCKZ-UHFFFAOYSA-N 0 1 254.337 2.736 20 30 CFEDMN Cc1nc(C)c(CN[C@@H]2CCc3cc(C#N)ccc32)o1 ZINC000600156985 350523067 /nfs/dbraw/zinc/52/30/67/350523067.db2.gz WZAHHOUWDYDUKL-OAHLLOKOSA-N 0 1 267.332 2.940 20 30 CFEDMN N#Cc1ccc(NCc2ccc3nc[nH]c3c2)c([N+](=O)[O-])c1 ZINC000600849466 350619274 /nfs/dbraw/zinc/61/92/74/350619274.db2.gz DSUGQOWWIJIAJK-UHFFFAOYSA-N 0 1 293.286 2.955 20 30 CFEDMN N#CC1(CNC[C@H](O)Cc2ccccc2)CCCCC1 ZINC000600757292 350606408 /nfs/dbraw/zinc/60/64/08/350606408.db2.gz UBWMUKWUVPVSAN-MRXNPFEDSA-N 0 1 272.392 2.654 20 30 CFEDMN N#Cc1ccc(CN[C@@H]2CCc3cc(N)ccc32)o1 ZINC000600770088 350607705 /nfs/dbraw/zinc/60/77/05/350607705.db2.gz UNMOKLRBAIBFGZ-OAHLLOKOSA-N 0 1 253.305 2.511 20 30 CFEDMN N#CC1(C(=O)Nc2ccc3nc[nH]c3c2)CC2(CC2)C1 ZINC000601019436 350646124 /nfs/dbraw/zinc/64/61/24/350646124.db2.gz ATSYXERRGYNCFN-UHFFFAOYSA-N 0 1 266.304 2.585 20 30 CFEDMN COc1ccc(-c2n[nH]c(S[C@H](C#N)C3CC3)n2)cc1 ZINC000601072852 350658826 /nfs/dbraw/zinc/65/88/26/350658826.db2.gz VRTLVMVMWRKOSD-GFCCVEGCSA-N 0 1 286.360 2.875 20 30 CFEDMN COc1cc(F)cc(OC)c1CNCC(C)(C)CC#N ZINC000601127670 350676092 /nfs/dbraw/zinc/67/60/92/350676092.db2.gz MVZYMIJWKGOYRP-UHFFFAOYSA-N 0 1 280.343 2.872 20 30 CFEDMN Cc1cc2[nH]ncc2cc1NC(=O)C1(C#N)CC2(CC2)C1 ZINC000601529753 350736524 /nfs/dbraw/zinc/73/65/24/350736524.db2.gz PMBYBRWXCDCWTQ-UHFFFAOYSA-N 0 1 280.331 2.894 20 30 CFEDMN C[C@@H]1CCc2[nH]n(Cc3ccc(C#N)cc3)c(=O)c2C1 ZINC000601947428 350814569 /nfs/dbraw/zinc/81/45/69/350814569.db2.gz RRQNHEPWHMIJRY-RISCZKNCSA-N 0 1 267.332 2.693 20 30 CFEDMN C[C@@H]1CCc2c1[nH]n(-c1ccc(C#N)c(Cl)c1)c2=O ZINC000601950492 350816780 /nfs/dbraw/zinc/81/67/80/350816780.db2.gz UWACFTDMKQCMHT-LDYMZIIASA-N 0 1 273.723 2.960 20 30 CFEDMN C[C@@H]1CCc2[nH]n(-c3ccc(C#N)c(Cl)c3)c(=O)c21 ZINC000601950046 350816914 /nfs/dbraw/zinc/81/69/14/350816914.db2.gz STYQMADGDXTOKZ-OQPBUACISA-N 0 1 273.723 2.960 20 30 CFEDMN C[C@H](c1cccc(C#N)c1)N(C)[C@H]1CCCCN(C)C1=O ZINC000601971910 350821880 /nfs/dbraw/zinc/82/18/80/350821880.db2.gz XFXOSSYOOFZYMD-CJNGLKHVSA-N 0 1 285.391 2.562 20 30 CFEDMN CC[C@](C)(C#N)C(=O)N[C@H]1CCN(Cc2cccc(C)c2)C1 ZINC000601851666 350792198 /nfs/dbraw/zinc/79/21/98/350792198.db2.gz VZQGRHQTXQKBIA-FUHWJXTLSA-N 0 1 299.418 2.625 20 30 CFEDMN CCc1c(C(C)C)[nH]n(-c2cccc(C#N)c2)c1=O ZINC000601933512 350806653 /nfs/dbraw/zinc/80/66/53/350806653.db2.gz ZYCSWRBJBQTDJS-CYBMUJFWSA-N 0 1 255.321 2.943 20 30 CFEDMN Cc1[nH]n(-c2ccc(C#N)c(C(F)(F)F)c2)c(=O)c1C ZINC000601938702 350810122 /nfs/dbraw/zinc/81/01/22/350810122.db2.gz IMXOMBOJVMJSGP-ZETCQYMHSA-N 0 1 281.237 2.936 20 30 CFEDMN Cc1[nH]n(Cc2cc(F)ccc2F)c(=O)c1CCC#N ZINC000601939343 350810139 /nfs/dbraw/zinc/81/01/39/350810139.db2.gz NSDFUTGFJGEDTH-GFCCVEGCSA-N 0 1 277.274 2.603 20 30 CFEDMN Cc1[nH]n(-c2ccc(OC(F)F)cc2)c(=O)c1CCC#N ZINC000601939573 350810186 /nfs/dbraw/zinc/81/01/86/350810186.db2.gz MPHBBRAVRRRACB-LBPRGKRZSA-N 0 1 293.273 2.930 20 30 CFEDMN CC(C)[C@@H](O)C(C)(C)CNCc1cccc(F)c1C#N ZINC000602010627 350830379 /nfs/dbraw/zinc/83/03/79/350830379.db2.gz GSOSTSSRIPRWII-OAHLLOKOSA-N 0 1 278.371 2.830 20 30 CFEDMN C[C@@]1(CNCc2cccc(F)c2C#N)CCCC[C@H]1O ZINC000602011657 350830629 /nfs/dbraw/zinc/83/06/29/350830629.db2.gz JGZMPEKVPVKGSE-CVEARBPZSA-N 0 1 276.355 2.728 20 30 CFEDMN N#Cc1c(F)cccc1CNC[C@@H](O)CCc1ccccc1 ZINC000602016442 350832384 /nfs/dbraw/zinc/83/23/84/350832384.db2.gz WPZKMMPENBSTBI-INIZCTEOSA-N 0 1 298.361 2.781 20 30 CFEDMN C[C@@H]1C[C@@H](NCc2cccc(F)c2C#N)CS1 ZINC000602019438 350833350 /nfs/dbraw/zinc/83/33/50/350833350.db2.gz HFQRMNLFOOBJAO-MWLCHTKSSA-N 0 1 250.342 2.681 20 30 CFEDMN Cc1ncsc1CCNCc1cccc(F)c1C#N ZINC000602022693 350834163 /nfs/dbraw/zinc/83/41/63/350834163.db2.gz GIUYVCDUUPOTIC-UHFFFAOYSA-N 0 1 275.352 2.795 20 30 CFEDMN CCN(C(=O)[C@@H]1CCCCN1C)[C@H](C)c1ccc(C#N)cc1 ZINC000602083559 350838487 /nfs/dbraw/zinc/83/84/87/350838487.db2.gz MAPXLTDUNPBFQT-PBHICJAKSA-N 0 1 299.418 2.952 20 30 CFEDMN C[C@@H](NC(=O)[C@H]1CCN1C1CCCC1)c1cccc(C#N)c1 ZINC000602109659 350842009 /nfs/dbraw/zinc/84/20/09/350842009.db2.gz UJOFXXPUPBSNIE-CXAGYDPISA-N 0 1 297.402 2.752 20 30 CFEDMN Cc1cc(C#N)cc(NC(=O)[C@@H]2CCN2C2CCCC2)c1 ZINC000602158672 350847295 /nfs/dbraw/zinc/84/72/95/350847295.db2.gz PANLPPCBGZIZSS-INIZCTEOSA-N 0 1 283.375 2.822 20 30 CFEDMN CC(C)(C)C[C@H](O)CNCc1cccc(F)c1C#N ZINC000602003011 350827560 /nfs/dbraw/zinc/82/75/60/350827560.db2.gz CRRATJBFWJVIRX-LBPRGKRZSA-N 0 1 264.344 2.584 20 30 CFEDMN CN(C)c1cccc(CN(C)Cc2cccc(C#N)n2)c1 ZINC000602483662 350901849 /nfs/dbraw/zinc/90/18/49/350901849.db2.gz KNHBOMDFWQQIFX-UHFFFAOYSA-N 0 1 280.375 2.651 20 30 CFEDMN N#Cc1cccc(CN[C@H]2CCc3cc(F)ccc32)n1 ZINC000602521755 350913281 /nfs/dbraw/zinc/91/32/81/350913281.db2.gz OJSZLEOYFYDIQH-INIZCTEOSA-N 0 1 267.307 2.869 20 30 CFEDMN Cc1ccc(CNCc2cccc(C#N)n2)c(C)c1 ZINC000602520176 350913297 /nfs/dbraw/zinc/91/32/97/350913297.db2.gz JQJQIIJFBJFTNN-UHFFFAOYSA-N 0 1 251.333 2.860 20 30 CFEDMN N#Cc1cccc(CN2CC[C@H](Oc3ccccc3)C2)n1 ZINC000602702562 350988240 /nfs/dbraw/zinc/98/82/40/350988240.db2.gz SJPVRYVWHPGCDA-KRWDZBQOSA-N 0 1 279.343 2.607 20 30 CFEDMN N#Cc1cccc(CN2CCC([C@@H]3CCCCO3)CC2)n1 ZINC000602714428 350995344 /nfs/dbraw/zinc/99/53/44/350995344.db2.gz ABIHOTILKBRRAJ-KRWDZBQOSA-N 0 1 285.391 2.734 20 30 CFEDMN CCN1C[C@H](CN(C)CC2(CC#N)CC2)Oc2ccccc21 ZINC000602767320 351017801 /nfs/dbraw/zinc/01/78/01/351017801.db2.gz PFLRXJHTWBXQFC-HNNXBMFYSA-N 0 1 299.418 2.900 20 30 CFEDMN CCOc1cccc(CN(CCO)CC2(CC#N)CC2)c1 ZINC000602838585 351042293 /nfs/dbraw/zinc/04/22/93/351042293.db2.gz UUCONOSXROZLRB-UHFFFAOYSA-N 0 1 288.391 2.573 20 30 CFEDMN C[C@H](CC#N)NCCC(=O)Nc1cccc(Cl)c1 ZINC000602859736 351048485 /nfs/dbraw/zinc/04/84/85/351048485.db2.gz AIMBMQUDLWBPHI-SNVBAGLBSA-N 0 1 265.744 2.560 20 30 CFEDMN C[C@@H]1CN(Cc2cc3ccccc3o2)C[C@@H](C)N1CC#N ZINC000602860536 351048959 /nfs/dbraw/zinc/04/89/59/351048959.db2.gz JLYPYTLGMADVIG-ZIAGYGMSSA-N 0 1 283.375 2.851 20 30 CFEDMN N#CCCC[N@H+]1CC[C@@H](c2ccc3cccnc3n2)C1 ZINC000602880727 351055882 /nfs/dbraw/zinc/05/58/82/351055882.db2.gz BZVCVLLPMKLYSS-CQSZACIVSA-N 0 1 266.348 2.723 20 30 CFEDMN Cc1cc(C#N)ccc1CN1CCC[C@@H]1c1cn[nH]c1 ZINC000602879470 351056154 /nfs/dbraw/zinc/05/61/54/351056154.db2.gz FTKUHMASEZJJHQ-MRXNPFEDSA-N 0 1 266.348 2.927 20 30 CFEDMN COC(=O)c1oc(CN[C@H]2CCC[C@@H](C#N)C2)cc1C ZINC000602744846 351012079 /nfs/dbraw/zinc/01/20/79/351012079.db2.gz UBLQHQRJMWHIQA-NEPJUHHUSA-N 0 1 276.336 2.547 20 30 CFEDMN C[N@H+](Cc1cccc(C#N)c1)C[C@@H]1CC(C)(C)CO1 ZINC000602757892 351015121 /nfs/dbraw/zinc/01/51/21/351015121.db2.gz AZUKBOKZYYMBOO-HNNXBMFYSA-N 0 1 258.365 2.805 20 30 CFEDMN CN(CCC(=O)N1CCc2ccccc21)[C@H]1CCC[C@H]1C#N ZINC000602976133 351076493 /nfs/dbraw/zinc/07/64/93/351076493.db2.gz LHIIGONAHXWEMA-HOTGVXAUSA-N 0 1 297.402 2.590 20 30 CFEDMN CN(CCc1ccc2c(c1)CCO2)[C@@H]1CCC[C@H]1C#N ZINC000602978313 351079117 /nfs/dbraw/zinc/07/91/17/351079117.db2.gz OQVWMSNZWNSUNX-JKSUJKDBSA-N 0 1 270.376 2.788 20 30 CFEDMN CN(CCCC(=O)OC(C)(C)C)[C@@H]1CCC[C@H]1C#N ZINC000602980244 351081113 /nfs/dbraw/zinc/08/11/13/351081113.db2.gz NRHJWZJYASVYRG-QWHCGFSZSA-N 0 1 266.385 2.732 20 30 CFEDMN CCc1cc(CCCN(C)[C@@H]2CCC[C@H]2C#N)on1 ZINC000602982675 351084546 /nfs/dbraw/zinc/08/45/46/351084546.db2.gz WNJXLGJSEMOJCD-SWLSCSKDSA-N 0 1 261.369 2.794 20 30 CFEDMN CCCN1C(=O)N=NC1S[C@H](C#N)Cc1ccccc1 ZINC000604021969 351196519 /nfs/dbraw/zinc/19/65/19/351196519.db2.gz ZDAUWCSXZHNOEI-LBPRGKRZSA-N 0 1 288.376 2.621 20 30 CFEDMN CCN(CC)Cc1ccc(C(=O)N(C)C2(C#N)CCC2)o1 ZINC000604573132 351219896 /nfs/dbraw/zinc/21/98/96/351219896.db2.gz BJTLFWGGXWKYDW-UHFFFAOYSA-N 0 1 289.379 2.640 20 30 CFEDMN Cc1cc(C)cc(CN2CCN([C@@H](C#N)C(C)C)CC2)c1 ZINC000609486735 351503545 /nfs/dbraw/zinc/50/35/45/351503545.db2.gz PYRHUODYNXAXHU-SFHVURJKSA-N 0 1 285.435 2.969 20 30 CFEDMN CCC[C@@H](C#N)NC(=O)c1ccc(CN(CC)CC)o1 ZINC000608816082 351475838 /nfs/dbraw/zinc/47/58/38/351475838.db2.gz DTFAPYADJYURGS-LBPRGKRZSA-N 0 1 277.368 2.543 20 30 CFEDMN CC1(C)CN(CCOc2cccc(C#N)c2)C(C)(C)CO1 ZINC000609671693 351515209 /nfs/dbraw/zinc/51/52/09/351515209.db2.gz IWFQEMBRDJGHIR-UHFFFAOYSA-N 0 1 288.391 2.826 20 30 CFEDMN N#Cc1cccc(CN2CC[C@H](OCc3ccccn3)C2)c1 ZINC000610765575 351605932 /nfs/dbraw/zinc/60/59/32/351605932.db2.gz YRAGFOJCRPSHKA-SFHVURJKSA-N 0 1 293.370 2.744 20 30 CFEDMN C[C@H](N[C@@H](C)c1cccc(C#N)c1)C(=O)N1CCC(C)CC1 ZINC000610346628 351556935 /nfs/dbraw/zinc/55/69/35/351556935.db2.gz ZJQXREVLPIFDDH-GJZGRUSLSA-N 0 1 299.418 2.856 20 30 CFEDMN CCN(CCC#N)C(=O)CN1CCC(C2CCCC2)CC1 ZINC000610370760 351561438 /nfs/dbraw/zinc/56/14/38/351561438.db2.gz FLEYPMFAFQVSOL-UHFFFAOYSA-N 0 1 291.439 2.651 20 30 CFEDMN N#CCCN1CCN([C@H]2CCCc3ccc(F)cc32)CC1 ZINC000611174296 351646581 /nfs/dbraw/zinc/64/65/81/351646581.db2.gz ZFIZLQFCVLVERQ-KRWDZBQOSA-N 0 1 287.382 2.734 20 30 CFEDMN N#Cc1cc(CN2CC[C@H](C(F)F)C2)ccc1F ZINC000611179642 351648744 /nfs/dbraw/zinc/64/87/44/351648744.db2.gz GYQQRLRFIWBNPW-JTQLQIEISA-N 0 1 254.255 2.784 20 30 CFEDMN CC(C)NC(=O)C(C#N)c1nc2cc(F)ccc2s1 ZINC000611249163 351656913 /nfs/dbraw/zinc/65/69/13/351656913.db2.gz VQPOYCXHUKNLRS-VIFPVBQESA-N 0 1 277.324 2.567 20 30 CFEDMN C[C@@H](NCC(=O)NCC1CCCCC1)c1cccc(C#N)c1 ZINC000611387049 351677890 /nfs/dbraw/zinc/67/78/90/351677890.db2.gz DRNJQTSQXHUNHD-CQSZACIVSA-N 0 1 299.418 2.905 20 30 CFEDMN C[C@@H](N[C@H](C)c1cccc(C#N)c1)C(=O)NC1CCCC1 ZINC000611387159 351678332 /nfs/dbraw/zinc/67/83/32/351678332.db2.gz FYVFEMKITSTCCP-CHWSQXEVSA-N 0 1 285.391 2.656 20 30 CFEDMN CCCN(CCC)C(=O)CN[C@@H](C)c1cccc(C#N)c1 ZINC000611389079 351679022 /nfs/dbraw/zinc/67/90/22/351679022.db2.gz QBINNKGDQUHWGS-AWEZNQCLSA-N 0 1 287.407 2.857 20 30 CFEDMN CCc1nc([C@H](C)N[C@H]2CCCc3cc(C#N)ccc32)n[nH]1 ZINC000611395275 351681977 /nfs/dbraw/zinc/68/19/77/351681977.db2.gz ZVTLAZLSVZMGPS-NHYWBVRUSA-N 0 1 295.390 2.967 20 30 CFEDMN C=CCCN1CCN([C@@H](C#N)c2ccc(F)cc2)CC1 ZINC000611552552 351707635 /nfs/dbraw/zinc/70/76/35/351707635.db2.gz CTNCNYLWNZRZPE-INIZCTEOSA-N 0 1 273.355 2.584 20 30 CFEDMN C[C@H](CCO)N(Cc1ccccc1)Cc1ccnc(C#N)c1 ZINC000611324280 351668836 /nfs/dbraw/zinc/66/88/36/351668836.db2.gz VGHAACCDSCSTKI-OAHLLOKOSA-N 0 1 295.386 2.726 20 30 CFEDMN COc1ccc(NC(=O)C[C@H](C)NCC(C)(C)C#N)cc1 ZINC000612585459 351839609 /nfs/dbraw/zinc/83/96/09/351839609.db2.gz DXJDAVAROZIOLC-LBPRGKRZSA-N 0 1 289.379 2.552 20 30 CFEDMN CN(Cc1ccc(C#N)cc1)C(=O)c1ccc(F)cc1O ZINC000123371216 187087819 /nfs/dbraw/zinc/08/78/19/187087819.db2.gz QKWJMDDCBIYUOO-UHFFFAOYSA-N 0 1 284.290 2.675 20 30 CFEDMN C#CCN1CCC(C(=O)O[C@@H](C)c2ccccc2F)CC1 ZINC000490838440 539828011 /nfs/dbraw/zinc/82/80/11/539828011.db2.gz BTYRWHUDWCSFSW-ZDUSSCGKSA-N 0 1 289.350 2.775 20 30 CFEDMN N#Cc1ccc(C(=O)Nc2ncc(Cl)s2)cc1O ZINC000615429130 352192183 /nfs/dbraw/zinc/19/21/83/352192183.db2.gz PIBOYXVMFDTCBP-UHFFFAOYSA-N 0 1 279.708 2.626 20 30 CFEDMN CC(C)[C@H](C#N)N1CCN(CCCCOC(C)(C)C)CC1 ZINC000616111469 352286016 /nfs/dbraw/zinc/28/60/16/352286016.db2.gz HOYXRVFLZBUOCG-INIZCTEOSA-N 0 1 295.471 2.747 20 30 CFEDMN C#CC[C@H](N[C@@H](C)c1cnn(C)c1)c1ccccc1 ZINC000271546036 191202714 /nfs/dbraw/zinc/20/27/14/191202714.db2.gz RKUSLNRPGOLENG-BBRMVZONSA-N 0 1 253.349 2.835 20 30 CFEDMN C#CC[C@@H](N[C@H](C)c1cnn(C)c1)c1ccccc1 ZINC000271546040 191203121 /nfs/dbraw/zinc/20/31/21/191203121.db2.gz RKUSLNRPGOLENG-CZUORRHYSA-N 0 1 253.349 2.835 20 30 CFEDMN C=CC[C@@H]1CCCC[C@H]1NC(=O)CN(CC)C1CC1 ZINC000617039100 352474412 /nfs/dbraw/zinc/47/44/12/352474412.db2.gz CEIYYQJQTXKAKO-UKRRQHHQSA-N 0 1 264.413 2.722 20 30 CFEDMN C=CC[C@H]1CCCC[C@H]1NC(=O)c1[nH]nc(C)c1C ZINC000617040358 352475673 /nfs/dbraw/zinc/47/56/73/352475673.db2.gz SSYDMHJPTMWSBZ-QWHCGFSZSA-N 0 1 261.369 2.891 20 30 CFEDMN C=CC[C@@H]1CCCC[C@@H]1NC(=O)[C@H](C)Cc1cnc[nH]1 ZINC000617044456 352479556 /nfs/dbraw/zinc/47/95/56/352479556.db2.gz NREQERHQCSJHIJ-NFAWXSAZSA-N 0 1 275.396 2.839 20 30 CFEDMN N#C[C@@H]1CCC[C@@H](NC2(C(=O)Nc3ccccc3)CC2)C1 ZINC000618578539 352817206 /nfs/dbraw/zinc/81/72/06/352817206.db2.gz COYHGYYRMXOBMQ-UKRRQHHQSA-N 0 1 283.375 2.830 20 30 CFEDMN CCn1nccc1CN[C@H]1CCc2cc(C#N)ccc21 ZINC000618743074 352876220 /nfs/dbraw/zinc/87/62/20/352876220.db2.gz VVNAVABQLOSTJB-INIZCTEOSA-N 0 1 266.348 2.552 20 30 CFEDMN C[C@@H](N[C@@H]1CCc2cc(C#N)ccc21)c1cnn(C)c1 ZINC000618805593 352884201 /nfs/dbraw/zinc/88/42/01/352884201.db2.gz OSDAWXLGUQRMJN-BDJLRTHQSA-N 0 1 266.348 2.630 20 30 CFEDMN C[C@H](CCC#N)CN1CCN(CC(F)(F)F)CC1(C)C ZINC000618888056 352905547 /nfs/dbraw/zinc/90/55/47/352905547.db2.gz QPJVPRSVJVHKCD-GFCCVEGCSA-N 0 1 291.361 2.885 20 30 CFEDMN CC(C)[C@@](C)(C#N)NC(=O)[C@H](C)N[C@@H](C)c1ccsc1 ZINC000619782864 353066682 /nfs/dbraw/zinc/06/66/82/353066682.db2.gz MELCCAHWLNASHA-SLEUVZQESA-N 0 1 293.436 2.842 20 30 CFEDMN CC#CCCN(C)[C@H]1CCN(c2ccccc2Cl)C1=O ZINC000155665904 188220424 /nfs/dbraw/zinc/22/04/24/188220424.db2.gz AADIKCDIHFPNOW-HNNXBMFYSA-N 0 1 290.794 2.791 20 30 CFEDMN C#CCCCCNC(=O)[C@@H](c1ccccc1)N(CC)CC ZINC000156023361 188239146 /nfs/dbraw/zinc/23/91/46/188239146.db2.gz AMAWOUDDRDQSHJ-QGZVFWFLSA-N 0 1 286.419 2.989 20 30 CFEDMN CCc1nc([C@H](C)Nc2nc(C)c(C#N)cc2Cl)n[nH]1 ZINC000292563482 198334505 /nfs/dbraw/zinc/33/45/05/198334505.db2.gz JVBYBGVTZFZEIY-QMMMGPOBSA-N 0 1 290.758 2.769 20 30 CFEDMN C=CCN(CCc1ccco1)Cc1n[nH]c(C(C)C)n1 ZINC000292659632 198365622 /nfs/dbraw/zinc/36/56/22/198365622.db2.gz AYRFMRTZPWEZAZ-UHFFFAOYSA-N 0 1 274.368 2.752 20 30 CFEDMN C#CCCOc1ccc(CNCc2cnccc2OC)cc1 ZINC000292655054 198364844 /nfs/dbraw/zinc/36/48/44/198364844.db2.gz LICNEIXODJXVSP-UHFFFAOYSA-N 0 1 296.370 2.782 20 30 CFEDMN C=C(C)CN(CC)C(=O)[C@H]1C[C@@H](C)Cc2c[nH]nc21 ZINC000623176059 353590724 /nfs/dbraw/zinc/59/07/24/353590724.db2.gz COKIAJFZWLNVKZ-AAEUAGOBSA-N 0 1 261.369 2.500 20 30 CFEDMN C=CC(C)(C)CCNC(=O)NCCCc1cn[nH]c1C ZINC000623706264 353709416 /nfs/dbraw/zinc/70/94/16/353709416.db2.gz RFOAIHOWOOFNEG-UHFFFAOYSA-N 0 1 278.400 2.552 20 30 CFEDMN C=C(C)CN(CC)C(=O)CN[C@H](C)c1ccc(C#N)cc1 ZINC000271720859 191289583 /nfs/dbraw/zinc/28/95/83/191289583.db2.gz XSCHHGSQSCNQEJ-CQSZACIVSA-N 0 1 285.391 2.633 20 30 CFEDMN C=C[C@@H]1OCC[C@H]1NCc1coc(-c2ccccc2F)n1 ZINC000625456527 354052196 /nfs/dbraw/zinc/05/21/96/354052196.db2.gz CMYJWKRBPGDYHE-CABCVRRESA-N 0 1 288.322 2.914 20 30 CFEDMN C=CC[C@@H]1CCN(Cc2nc(-c3ccoc3)no2)C1 ZINC000625702608 354090450 /nfs/dbraw/zinc/09/04/50/354090450.db2.gz ZVHOURJRXJODAZ-LLVKDONJSA-N 0 1 259.309 2.728 20 30 CFEDMN CCC(=O)CCCN1CCc2c(CC#N)cccc2C1 ZINC000626130934 354205127 /nfs/dbraw/zinc/20/51/27/354205127.db2.gz JXOIBKLVQXLHKE-UHFFFAOYSA-N 0 1 270.376 2.870 20 30 CFEDMN C=CC[C@@H]1CCN(Cc2cn(-c3ccc(F)cc3)nn2)C1 ZINC000628406948 354579829 /nfs/dbraw/zinc/57/98/29/354579829.db2.gz VKTXRASKORAFQD-CYBMUJFWSA-N 0 1 286.354 2.804 20 30 CFEDMN C=CC[C@@H]1CC[N@H+](Cc2ccc(C(=O)[O-])c(F)c2)C1 ZINC000629366461 354789395 /nfs/dbraw/zinc/78/93/95/354789395.db2.gz NVHDMXHCSBWWGH-LLVKDONJSA-N 0 1 263.312 2.922 20 30 CFEDMN C=CC[C@@H]1CC[N@H+](CCc2ccccc2C(=O)[O-])C1 ZINC000629366453 354789472 /nfs/dbraw/zinc/78/94/72/354789472.db2.gz NOIFIYJGKCUJDF-CYBMUJFWSA-N 0 1 259.349 2.825 20 30 CFEDMN C=CC[C@@H]1CCCC[C@@H]1NC(=O)CN(C)C1CCC1 ZINC000630017749 354985256 /nfs/dbraw/zinc/98/52/56/354985256.db2.gz VOVWFCBZJSOVJF-HIFRSBDPSA-N 0 1 264.413 2.722 20 30 CFEDMN C=CCOCCNCc1cc(OC)c(OC)cc1Cl ZINC000631111252 355297223 /nfs/dbraw/zinc/29/72/23/355297223.db2.gz RERSREJAGMDDBI-UHFFFAOYSA-N 0 1 285.771 2.649 20 30 CFEDMN C=C[C@@H]1OCC[C@H]1NCc1cc(OC)c(OC)cc1Cl ZINC000631150261 355316893 /nfs/dbraw/zinc/31/68/93/355316893.db2.gz CHQWWZGZKIETDZ-OLZOCXBDSA-N 0 1 297.782 2.790 20 30 CFEDMN C=CCOc1ccc(CN[C@H](C)[C@H](O)C(F)(F)F)cc1 ZINC000631233388 355365386 /nfs/dbraw/zinc/36/53/86/355365386.db2.gz ZYOFFKODZALGDB-MFKMUULPSA-N 0 1 289.297 2.653 20 30 CFEDMN C=CCS(=O)(=O)CCN[C@@H](C)c1ccc(SC)cc1 ZINC000272818259 191931473 /nfs/dbraw/zinc/93/14/73/191931473.db2.gz FIQPIKHSECWMSV-LBPRGKRZSA-N 0 1 299.461 2.660 20 30 CFEDMN N#Cc1ccc(N2CC[C@H](N3CCCC4(CC4)C3)C2=O)cc1 ZINC000186962209 283166819 /nfs/dbraw/zinc/16/68/19/283166819.db2.gz QLOHEOFQLXHLQN-INIZCTEOSA-N 0 1 295.386 2.540 20 30 CFEDMN N#Cc1ccc2nc(-c3cnn4ccccc34)[nH]c2c1 ZINC000178959404 283191552 /nfs/dbraw/zinc/19/15/52/283191552.db2.gz MGLXOPQHOWGECC-UHFFFAOYSA-N 0 1 259.272 2.749 20 30 CFEDMN N#Cc1ccc2c(c1)CCC[C@H]2Nc1ncnc2[nH]cnc21 ZINC000419014916 283194919 /nfs/dbraw/zinc/19/49/19/283194919.db2.gz LHUDARQHUHCCRO-CYBMUJFWSA-N 0 1 290.330 2.714 20 30 CFEDMN N#Cc1ccsc1C(=O)Nc1ncc(C(F)(F)F)[nH]1 ZINC000336631282 283226414 /nfs/dbraw/zinc/22/64/14/283226414.db2.gz WVHVKGXQUIIPFM-UHFFFAOYSA-N 0 1 286.238 2.614 20 30 CFEDMN CCC#C[C@@H](C)N1CC[C@]2(C1)OCc1ccccc12 ZINC000681168067 540357991 /nfs/dbraw/zinc/35/79/91/540357991.db2.gz KUHWVZKLWBBPAP-RHSMWYFYSA-N 0 1 255.361 2.920 20 30 CFEDMN C#Cc1ccc(CN[C@H](C)c2cnn(CC)c2)cc1 ZINC000294774965 199177058 /nfs/dbraw/zinc/17/70/58/199177058.db2.gz GEYCOAYFIVFQHN-CYBMUJFWSA-N 0 1 253.349 2.735 20 30 CFEDMN C=CC(C)(C)C(=O)Nc1nc(-c2ccccc2OC)n[nH]1 ZINC000294829181 199201870 /nfs/dbraw/zinc/20/18/70/199201870.db2.gz LETXJUZCTCHQSI-UHFFFAOYSA-N 0 1 286.335 2.631 20 30 CFEDMN C=C(C)CN(CC)C(=O)[C@@H](C)N[C@H](C)c1cnccc1C ZINC000679944590 542255235 /nfs/dbraw/zinc/25/52/35/542255235.db2.gz NYDQGDFHISXVMB-HUUCEWRRSA-N 0 1 289.423 2.854 20 30 CFEDMN C=CCN(CC=C)C(=O)[C@H](C)N[C@H](C)c1ccsc1 ZINC000669828416 540582838 /nfs/dbraw/zinc/58/28/38/540582838.db2.gz MKLFTTCAGDHQTR-OLZOCXBDSA-N 0 1 278.421 2.988 20 30 CFEDMN CCNC(=O)c1cccc(CNCc2ccc(C#N)s2)c1 ZINC000176952723 189016823 /nfs/dbraw/zinc/01/68/23/189016823.db2.gz YUMQQYQGJOPRTK-UHFFFAOYSA-N 0 1 299.399 2.659 20 30 CFEDMN CC(C)(C)OC(=O)[C@H]1CCN(Cc2cccc(C#N)c2)C1 ZINC000178509052 189122066 /nfs/dbraw/zinc/12/20/66/189122066.db2.gz OPQSTXWMVHHSRV-HNNXBMFYSA-N 0 1 286.375 2.722 20 30 CFEDMN C=CCNC(=O)CN[C@H](C)c1cc(C)ccc1OC(F)F ZINC000180027404 189233387 /nfs/dbraw/zinc/23/33/87/189233387.db2.gz IQCTVYNGMWKNBQ-LLVKDONJSA-N 0 1 298.333 2.549 20 30 CFEDMN CCC#C[C@H](C)N1CCC[C@@](O)(C(F)(F)F)CC1 ZINC000671724270 541059963 /nfs/dbraw/zinc/05/99/63/541059963.db2.gz VOVZJWSBUQNYTD-RYUDHWBXSA-N 0 1 263.303 2.568 20 30 CFEDMN CCC#C[C@@H](C)N1CCC[C@](O)(C(F)(F)F)CC1 ZINC000671724271 541060121 /nfs/dbraw/zinc/06/01/21/541060121.db2.gz VOVZJWSBUQNYTD-VXGBXAGGSA-N 0 1 263.303 2.568 20 30 CFEDMN Cc1c([C@@H](C)NCc2ccc(F)c(C#N)c2)cnn1C ZINC000183432921 189358518 /nfs/dbraw/zinc/35/85/18/189358518.db2.gz PNSACVNLLKMYIG-SNVBAGLBSA-N 0 1 272.327 2.590 20 30 CFEDMN C=CCN(Cc1ccccc1)C(=O)[C@@H]1CCc2[nH]cnc2C1 ZINC000666265922 541078878 /nfs/dbraw/zinc/07/88/78/541078878.db2.gz SNYZGTQZLFIKOE-OAHLLOKOSA-N 0 1 295.386 2.729 20 30 CFEDMN C=CCCc1ccccc1NC(=O)N(C)CC1CN(C)C1 ZINC000667028964 541177060 /nfs/dbraw/zinc/17/70/60/541177060.db2.gz LLYIWAGRLYSXEF-UHFFFAOYSA-N 0 1 287.407 2.831 20 30 CFEDMN CC1=CCN(CCNc2ccc([N+](=O)[O-])cc2C#N)CC1 ZINC000302131508 201356174 /nfs/dbraw/zinc/35/61/74/201356174.db2.gz BMCBFEPCSMEERF-UHFFFAOYSA-N 0 1 286.335 2.530 20 30 CFEDMN C=C(CNC(=O)c1[nH]nc2c1CCCC2)c1ccccc1 ZINC000673341951 541479668 /nfs/dbraw/zinc/47/96/68/541479668.db2.gz ALOXWPPNAYMJDM-UHFFFAOYSA-N 0 1 281.359 2.732 20 30 CFEDMN CC(C)[C@@H]1CCC[N@@H+](CC(=O)NCc2cccc(C#N)c2)C1 ZINC000444756131 241185743 /nfs/dbraw/zinc/18/57/43/241185743.db2.gz QHDMWYPMUIFWIW-QGZVFWFLSA-N 0 1 299.418 2.542 20 30 CFEDMN CO[C@H]1C[C@H](N(C)Cc2ccccc2C#N)C12CCC2 ZINC000449627533 242076568 /nfs/dbraw/zinc/07/65/68/242076568.db2.gz ACKMVNPMVPRRGY-HOTGVXAUSA-N 0 1 270.376 2.948 20 30 CFEDMN CCn1cc([C@H](C)NCc2ccc(C#N)c(C)c2)cn1 ZINC000449676303 242101476 /nfs/dbraw/zinc/10/14/76/242101476.db2.gz GGWYHGGSILFWDH-ZDUSSCGKSA-N 0 1 268.364 2.934 20 30 CFEDMN C#Cc1ccc(NC(=O)N2CCN(C)C[C@H]2CC(C)C)cc1 ZINC000934919244 649851906 /nfs/dbraw/zinc/85/19/06/649851906.db2.gz VXNVSLLUOGHQAM-QGZVFWFLSA-N 0 1 299.418 2.862 20 30 CFEDMN CC[C@@H]1CN(CC)CCN1C(=O)[C@H](C)c1cccc(C#N)c1 ZINC000456390873 244167899 /nfs/dbraw/zinc/16/78/99/244167899.db2.gz WECTYUTWAGRYSN-RHSMWYFYSA-N 0 1 299.418 2.604 20 30 CFEDMN C=CCCN(C)Cc1ccc(F)cc1C(=O)OC ZINC000276472740 193345203 /nfs/dbraw/zinc/34/52/03/193345203.db2.gz RWFXBIIRSNMPKF-UHFFFAOYSA-N 0 1 251.301 2.620 20 30 CFEDMN C=CCCN(C)[C@@H](C)C(=O)Nc1ccc(C)cc1F ZINC000276491087 193353133 /nfs/dbraw/zinc/35/31/33/193353133.db2.gz UTQWAYNVVFUBPM-LBPRGKRZSA-N 0 1 264.344 2.969 20 30 CFEDMN C=CCCN(C)[C@H](C)C(=O)Nc1ccc(C)cc1F ZINC000276491086 193353790 /nfs/dbraw/zinc/35/37/90/193353790.db2.gz UTQWAYNVVFUBPM-GFCCVEGCSA-N 0 1 264.344 2.969 20 30 CFEDMN C[C@@H]1CCC[C@@](C#N)(NC(=O)c2n[nH]c3ccccc32)C1 ZINC000116810250 376207304 /nfs/dbraw/zinc/20/73/04/376207304.db2.gz WFOOYWBMBRGTFE-BDJLRTHQSA-N 0 1 282.347 2.765 20 30 CFEDMN COCC#CCN(C)[C@@H](C)c1cccc(Cl)c1 ZINC000677477271 541864527 /nfs/dbraw/zinc/86/45/27/541864527.db2.gz BLGRIZHYUXXWLE-LBPRGKRZSA-N 0 1 251.757 2.983 20 30 CFEDMN COCC#CCN1CCC(Nc2cccc(C)c2)CC1 ZINC000677479137 541865986 /nfs/dbraw/zinc/86/59/86/541865986.db2.gz LXVOONSMOSAUGR-UHFFFAOYSA-N 0 1 272.392 2.521 20 30 CFEDMN COCC#CCN1CCC[C@H](c2nc3ccccc3o2)C1 ZINC000677480283 541865434 /nfs/dbraw/zinc/86/54/34/541865434.db2.gz WKMHJMBWCPQTNO-AWEZNQCLSA-N 0 1 284.359 2.657 20 30 CFEDMN CCC[C@@H](C)N(C)CC(=O)Nc1ccc(C#N)cc1 ZINC000030269517 372390552 /nfs/dbraw/zinc/39/05/52/372390552.db2.gz DQMPKTMVPWGKLZ-GFCCVEGCSA-N 0 1 259.353 2.617 20 30 CFEDMN Cc1cccc(C)c1OCCN1CCC(C#N)CC1 ZINC000032110726 372429705 /nfs/dbraw/zinc/42/97/05/372429705.db2.gz QYENKQGEFFFLDZ-UHFFFAOYSA-N 0 1 258.365 2.918 20 30 CFEDMN C[C@@H](NCc1ccc(C#N)cc1)C(=O)Nc1ccccc1 ZINC000037749239 372695894 /nfs/dbraw/zinc/69/58/94/372695894.db2.gz QINAESRCLKDIPW-CYBMUJFWSA-N 0 1 279.343 2.675 20 30 CFEDMN C[C@@H](N[C@H](C)c1cccc(C#N)c1)C(=O)N1CCCCC1 ZINC000037784447 372707279 /nfs/dbraw/zinc/70/72/79/372707279.db2.gz YBIUYEKOYXFLKA-ZIAGYGMSSA-N 0 1 285.391 2.610 20 30 CFEDMN N#CCCCCN1CCN(c2ccccc2F)CC1 ZINC000042307107 372904222 /nfs/dbraw/zinc/90/42/22/372904222.db2.gz KZZRPLZORUPLJN-UHFFFAOYSA-N 0 1 261.344 2.642 20 30 CFEDMN CCC(C#N)(CC)C(=O)Nc1ccc2nc(N(C)C)[nH]c2c1 ZINC000529197642 383688287 /nfs/dbraw/zinc/68/82/87/383688287.db2.gz BLTNPZSWXJXLSM-UHFFFAOYSA-N 0 1 299.378 2.897 20 30 CFEDMN CC(C)c1cc(C(=O)C(C#N)c2nc3ccccc3[nH]2)n[nH]1 ZINC000048813218 373225110 /nfs/dbraw/zinc/22/51/10/373225110.db2.gz ZQRIYUPAERBHPN-SNVBAGLBSA-N 0 1 293.330 2.899 20 30 CFEDMN CC(C)c1cc(C(=O)[C@@H](C#N)c2nc3ccccc3[nH]2)n[nH]1 ZINC000048813218 373225119 /nfs/dbraw/zinc/22/51/19/373225119.db2.gz ZQRIYUPAERBHPN-SNVBAGLBSA-N 0 1 293.330 2.899 20 30 CFEDMN CC1CCN(CCNc2snc(Cl)c2C#N)CC1 ZINC000048559931 373198433 /nfs/dbraw/zinc/19/84/33/373198433.db2.gz ZDUHRNITRHBOLB-UHFFFAOYSA-N 0 1 284.816 2.812 20 30 CFEDMN CCCN(C)[C@@H](C)C(=O)Nc1ccc(C#N)c(Cl)c1 ZINC000049480499 373304365 /nfs/dbraw/zinc/30/43/65/373304365.db2.gz LITOYZIHZMAPTR-JTQLQIEISA-N 0 1 279.771 2.880 20 30 CFEDMN C=CCSc1nc(-c2ccc(OC)cc2OC)n[nH]1 ZINC000049274898 373281773 /nfs/dbraw/zinc/28/17/73/373281773.db2.gz YYHRYELZVDDTFA-UHFFFAOYSA-N 0 1 277.349 2.767 20 30 CFEDMN COCC1(N(C)CC#Cc2ccc(Cl)cc2)CC1 ZINC000677727382 541895604 /nfs/dbraw/zinc/89/56/04/541895604.db2.gz WRRBMFCAMQISSW-UHFFFAOYSA-N 0 1 263.768 2.802 20 30 CFEDMN C#C[C@H](NCc1cn2cc(Cl)ccc2n1)C(C)C ZINC000289516486 197385886 /nfs/dbraw/zinc/38/58/86/197385886.db2.gz PAENPHJDYQXXEI-ZDUSSCGKSA-N 0 1 261.756 2.735 20 30 CFEDMN C=CCCCN(C)CC(=O)Nc1cc(C(C)(C)C)nn1C ZINC000076733773 374557283 /nfs/dbraw/zinc/55/72/83/374557283.db2.gz NNVHIUYKZHEVQE-UHFFFAOYSA-N 0 1 292.427 2.554 20 30 CFEDMN C=CCCCN(C)CC(=O)N(CC)c1ccccc1 ZINC000076801662 374559423 /nfs/dbraw/zinc/55/94/23/374559423.db2.gz ZVWAJLYLQWEXAE-UHFFFAOYSA-N 0 1 260.381 2.938 20 30 CFEDMN CC(C)(C#N)CC[NH+]1CCN(Cc2ccccc2)CC1 ZINC000087595034 374825680 /nfs/dbraw/zinc/82/56/80/374825680.db2.gz XRZDEONHQJRUFX-UHFFFAOYSA-N 0 1 271.408 2.744 20 30 CFEDMN C[C@@H](NCCOc1ccc(C#N)cc1)c1nccs1 ZINC000090107043 374991304 /nfs/dbraw/zinc/99/13/04/374991304.db2.gz HAPBIRMNWTVBEW-LLVKDONJSA-N 0 1 273.361 2.744 20 30 CFEDMN CCC[C@@H](C#N)NC(=O)[C@@H](c1ccccc1)N(CC)CC ZINC000092005975 375081554 /nfs/dbraw/zinc/08/15/54/375081554.db2.gz DFYAEVUDWDSCME-JKSUJKDBSA-N 0 1 287.407 2.878 20 30 CFEDMN C=C(C)COCCN[C@H](C)c1nc2ccccc2n1C ZINC000091397707 375049499 /nfs/dbraw/zinc/04/94/99/375049499.db2.gz IGDDZAODXNKKAK-CYBMUJFWSA-N 0 1 273.380 2.817 20 30 CFEDMN CCN(Cc1cc(C#N)cs1)C[C@H]1CCCO1 ZINC000092407792 375109870 /nfs/dbraw/zinc/10/98/70/375109870.db2.gz SONFYQLSXPZANT-GFCCVEGCSA-N 0 1 250.367 2.621 20 30 CFEDMN CN(CC(=O)Nc1ccccc1)CC(C)(C)CCC#N ZINC000091916475 375068959 /nfs/dbraw/zinc/06/89/59/375068959.db2.gz YGDYQFYOFLSKMM-UHFFFAOYSA-N 0 1 273.380 2.887 20 30 CFEDMN COCCN(Cc1ccn(C)c1)Cc1ccc(C#N)cc1 ZINC000092567760 375125094 /nfs/dbraw/zinc/12/50/94/375125094.db2.gz CSEHSIAVFWMKCW-UHFFFAOYSA-N 0 1 283.375 2.545 20 30 CFEDMN N#CCCN(Cc1cccc(-n2cccn2)c1)CC1CC1 ZINC000093091255 375186512 /nfs/dbraw/zinc/18/65/12/375186512.db2.gz JDAGUJHBZZQLKF-UHFFFAOYSA-N 0 1 280.375 2.998 20 30 CFEDMN CN(C)c1cccc(CN(C)Cc2ccc(C#N)o2)c1 ZINC000093845673 375323113 /nfs/dbraw/zinc/32/31/13/375323113.db2.gz ZQMRDEAERFTWIK-UHFFFAOYSA-N 0 1 269.348 2.849 20 30 CFEDMN COc1cc(F)cc(CNCc2cccc(C#N)c2)c1 ZINC000093970773 375334381 /nfs/dbraw/zinc/33/43/81/375334381.db2.gz ILYYRCFSQSVQLY-UHFFFAOYSA-N 0 1 270.307 2.996 20 30 CFEDMN CCCN1CCC[C@@H]1C(=O)Nc1ccc(F)c(C#N)c1 ZINC000102879279 375698464 /nfs/dbraw/zinc/69/84/64/375698464.db2.gz QWDORDZPWZPWMJ-CQSZACIVSA-N 0 1 275.327 2.510 20 30 CFEDMN Cc1oc(NC(=O)[C@@H](C)N(C)CC2CCC2)c(C#N)c1C ZINC000111299220 375836020 /nfs/dbraw/zinc/83/60/20/375836020.db2.gz LIHFHNXDWIDWRW-LLVKDONJSA-N 0 1 289.379 2.827 20 30 CFEDMN C=C(C)[C@H](CO)N[C@H](CC)c1ccc(F)cc1F ZINC000678782539 542069507 /nfs/dbraw/zinc/06/95/07/542069507.db2.gz IANDROKEABLPOA-KGLIPLIRSA-N 0 1 255.308 2.943 20 30 CFEDMN C=CCC1(C(=O)N(C)Cc2cn[nH]c2C)CCCC1 ZINC000636069962 383710488 /nfs/dbraw/zinc/71/04/88/383710488.db2.gz CQOMVJCKAOORDP-UHFFFAOYSA-N 0 1 261.369 2.813 20 30 CFEDMN COC(=O)CCN(Cc1cn2ccccc2c1C#N)C(C)C ZINC000113506838 376020358 /nfs/dbraw/zinc/02/03/58/376020358.db2.gz IHTOVZQEQYFCJG-UHFFFAOYSA-N 0 1 299.374 2.584 20 30 CFEDMN CNC(=O)c1cccc(CN(C)Cc2cccc(C#N)c2)c1 ZINC000113929490 376040097 /nfs/dbraw/zinc/04/00/97/376040097.db2.gz LMNJSTWUFRKQHJ-UHFFFAOYSA-N 0 1 293.370 2.550 20 30 CFEDMN C=CC[C@H](C)NC(=O)[C@H](c1ccccc1)N(C)CC ZINC000116851438 376210664 /nfs/dbraw/zinc/21/06/64/376210664.db2.gz FQPWGSSALDZANC-ZFWWWQNUSA-N 0 1 260.381 2.760 20 30 CFEDMN CC(C)(NCCOc1ccc(C#N)cc1)c1nccs1 ZINC000118848132 376320777 /nfs/dbraw/zinc/32/07/77/376320777.db2.gz IGZSQNUXPQBZDG-UHFFFAOYSA-N 0 1 287.388 2.918 20 30 CFEDMN CCC(=O)N1CCCN([C@@H](C)c2ccc(C#N)cc2)CC1 ZINC000118394009 376291297 /nfs/dbraw/zinc/29/12/97/376291297.db2.gz NUTZDCLJKBBNSB-AWEZNQCLSA-N 0 1 285.391 2.564 20 30 CFEDMN C[C@H](NCC(=O)Nc1ccccc1F)c1ccc(C#N)cc1 ZINC000119326936 376395329 /nfs/dbraw/zinc/39/53/29/376395329.db2.gz PUBSAKOBZJMAKF-LBPRGKRZSA-N 0 1 297.333 2.987 20 30 CFEDMN CC(C)C[C@H]1CCCN([C@H](C(N)=O)c2ccc(C#N)cc2)C1 ZINC000119348370 376398671 /nfs/dbraw/zinc/39/86/71/376398671.db2.gz FDZCIPFSTWHTJN-WBVHZDCISA-N 0 1 299.418 2.843 20 30 CFEDMN CC(C)(C#N)CCN1CCN(c2ccccc2C#N)CC1 ZINC000119612537 376445340 /nfs/dbraw/zinc/44/53/40/376445340.db2.gz DATNVOBASGALOK-UHFFFAOYSA-N 0 1 282.391 2.620 20 30 CFEDMN C=CCN(C)Cc1cccc(C(=O)NCc2ccco2)c1 ZINC000121453584 376837570 /nfs/dbraw/zinc/83/75/70/376837570.db2.gz YKGMMCLOFRSLHF-UHFFFAOYSA-N 0 1 284.359 2.827 20 30 CFEDMN CC(C)c1ccc([C@H]2CCCN2CC(=O)NCC#N)cc1 ZINC000125502177 377162955 /nfs/dbraw/zinc/16/29/55/377162955.db2.gz PZEMTPAQCWYJHL-MRXNPFEDSA-N 0 1 285.391 2.587 20 30 CFEDMN C=C(C)CN(CC)[C@@H](C)C(=O)Nc1oc(C)c(C)c1C#N ZINC000125929957 377201944 /nfs/dbraw/zinc/20/19/44/377201944.db2.gz RUMOQTWUIMACEW-LBPRGKRZSA-N 0 1 289.379 2.993 20 30 CFEDMN C=C(C)CN(CC)[C@@H](C)C(=O)NCCc1ccccc1C ZINC000125937553 377204495 /nfs/dbraw/zinc/20/44/95/377204495.db2.gz XTAHLORFMRVTDK-INIZCTEOSA-N 0 1 288.435 2.940 20 30 CFEDMN N#Cc1ccc(CN2CC[C@@H](Oc3cccnc3)C2)s1 ZINC000131350148 377698493 /nfs/dbraw/zinc/69/84/93/377698493.db2.gz BFUYNCKOBUXNHH-CYBMUJFWSA-N 0 1 285.372 2.668 20 30 CFEDMN CC[C@H](C)N1CCN(c2cc(C#N)ccc2C(C)=O)CC1 ZINC000131283739 377686344 /nfs/dbraw/zinc/68/63/44/377686344.db2.gz KJRLPLFJDHSDHK-ZDUSSCGKSA-N 0 1 285.391 2.681 20 30 CFEDMN CC(C)(C)OC(=O)N1CCCN(CCC(C)(C)C#N)CC1 ZINC000131436392 377712032 /nfs/dbraw/zinc/71/20/32/377712032.db2.gz BHCYDRPRPZBOOY-UHFFFAOYSA-N 0 1 295.427 2.869 20 30 CFEDMN CCC#C[C@H](C)N1CCC(C)(c2nc(C)no2)CC1 ZINC000679677259 542225251 /nfs/dbraw/zinc/22/52/51/542225251.db2.gz FEIBJMRRGANFTM-LBPRGKRZSA-N 0 1 261.369 2.533 20 30 CFEDMN C#CCN1CCC(N(CCC)C(=O)c2cccs2)CC1 ZINC000132060605 377798178 /nfs/dbraw/zinc/79/81/78/377798178.db2.gz WSSIVKQQTVVWAN-UHFFFAOYSA-N 0 1 290.432 2.698 20 30 CFEDMN COc1ccc(-c2nc(CON=C(N)C(C)C)co2)cc1 ZINC000133631184 377945166 /nfs/dbraw/zinc/94/51/66/377945166.db2.gz IDWDMWPDWAZORP-UHFFFAOYSA-N 0 1 289.335 2.795 20 30 CFEDMN C[C@@H](NC(=O)[C@H]1CCCc2[nH]ncc21)c1ccc(C#N)cc1 ZINC000134427359 378013269 /nfs/dbraw/zinc/01/32/69/378013269.db2.gz ICGOAQYEPVNQQL-RISCZKNCSA-N 0 1 294.358 2.579 20 30 CFEDMN C=CCCCCCN(C)[C@@H](C(N)=O)c1ccccc1 ZINC000150878532 378278157 /nfs/dbraw/zinc/27/81/57/378278157.db2.gz FKSBFFSWQHCDRK-OAHLLOKOSA-N 0 1 260.381 2.891 20 30 CFEDMN CC(C)c1nc([C@H](C)NC(=O)C2CCC(=O)CC2)n[nH]1 ZINC000328936445 378442706 /nfs/dbraw/zinc/44/27/06/378442706.db2.gz QVAZEXRKDDVEEP-VIFPVBQESA-N 0 1 278.356 2.705 20 30 CFEDMN CCc1nc([C@H](C)NC(=O)N[C@@H]2CCCC2(C)C)n[nH]1 ZINC000328951728 378444894 /nfs/dbraw/zinc/44/48/94/378444894.db2.gz XJBYHTMHMJYRIH-VHSXEESVSA-N 0 1 279.388 2.510 20 30 CFEDMN C[C@@H]1C[N@H+](C2CC2)C[C@@H]1NC(=O)C[C@@H]1CCCCNC1=O ZINC000328778776 378423661 /nfs/dbraw/zinc/42/36/61/378423661.db2.gz DSJHKBYVRRPHDD-DYEKYZERSA-N 0 1 293.411 2.572 20 30 CFEDMN CC[C@H](NC(=O)c1ccc2cncn2c1)[C@H]1CCCO1 ZINC000328804686 378427423 /nfs/dbraw/zinc/42/74/23/378427423.db2.gz KLOJAXJNXBFLFC-UONOGXRCSA-N 0 1 273.336 2.597 20 30 CFEDMN CCc1nc([C@H](C)NC(=O)N[C@H]2CCCCC2(C)C)n[nH]1 ZINC000328908363 378437335 /nfs/dbraw/zinc/43/73/35/378437335.db2.gz CXRCDFPHIBWZPC-QWRGUYRKSA-N 0 1 293.415 2.901 20 30 CFEDMN CCc1nc([C@H](C)NC(=O)N[C@@H]2CCCC[C@@H]2C)n[nH]1 ZINC000328912851 378439074 /nfs/dbraw/zinc/43/90/74/378439074.db2.gz HPNUXFOOAGHFBQ-GARJFASQSA-N 0 1 279.388 2.510 20 30 CFEDMN CC1CCC(N(C)C([O-])=[NH+][C@@H]2CCc3c[nH]nc3C2)CC1 ZINC000329872311 378508469 /nfs/dbraw/zinc/50/84/69/378508469.db2.gz DBEBOPOEKKEQCS-HRDQMINSSA-N 0 1 290.411 2.692 20 30 CFEDMN O=C(NC1(c2nnc[nH]2)CCC1)c1scnc1C1CC1 ZINC000329924667 378514011 /nfs/dbraw/zinc/51/40/11/378514011.db2.gz VBZZOUNGOARRBM-UHFFFAOYSA-N 0 1 289.364 2.523 20 30 CFEDMN CC[C@H](C)NC(=O)NCc1nc2cccc(C)c2[nH]1 ZINC000330560455 378584218 /nfs/dbraw/zinc/58/42/18/378584218.db2.gz SAKRYOUALDQEBF-JTQLQIEISA-N 0 1 260.341 2.673 20 30 CFEDMN CC(C)(C)CC[NH+]=C([O-])N1CCC(n2ccnc2)CC1 ZINC000330564509 378585071 /nfs/dbraw/zinc/58/50/71/378585071.db2.gz BJLMEIMEQVAINP-UHFFFAOYSA-N 0 1 278.400 2.870 20 30 CFEDMN Cc1cccc2nc(CNC(=O)NCC(C)(C)C)[nH]c21 ZINC000330567872 378585153 /nfs/dbraw/zinc/58/51/53/378585153.db2.gz WQHZOXXXVGGHRY-UHFFFAOYSA-N 0 1 274.368 2.921 20 30 CFEDMN CC(C)[C@@H]1CCCCN1C([O-])=[NH+][C@@H]1CCn2ccnc2C1 ZINC000330278813 378532760 /nfs/dbraw/zinc/53/27/60/378532760.db2.gz QCRDGFZHIXUDCH-KGLIPLIRSA-N 0 1 290.411 2.622 20 30 CFEDMN CC#CCCSc1nc(-c2ccc(OC)cc2)n[nH]1 ZINC000155099294 378611831 /nfs/dbraw/zinc/61/18/31/378611831.db2.gz PRAFZISFAPKLGR-UHFFFAOYSA-N 0 1 273.361 2.986 20 30 CFEDMN CC#CCCN1CCO[C@H](CCc2ccccc2)C1 ZINC000158113563 378664108 /nfs/dbraw/zinc/66/41/08/378664108.db2.gz ZASPPNARWZUSII-QGZVFWFLSA-N 0 1 257.377 2.733 20 30 CFEDMN CCc1nc(CN2CCC[C@@H]2[C@@H](C#N)c2ccccc2)n[nH]1 ZINC000158757447 378673601 /nfs/dbraw/zinc/67/36/01/378673601.db2.gz YAWQZNKDHXRHLS-LSDHHAIUSA-N 0 1 295.390 2.639 20 30 CFEDMN N#CCc1ccc(CN2CCCC[C@@H]2c2nnc[nH]2)cc1 ZINC000331867203 378716548 /nfs/dbraw/zinc/71/65/48/378716548.db2.gz GLVMJELXVUSDTC-OAHLLOKOSA-N 0 1 281.363 2.598 20 30 CFEDMN N#Cc1ccc(CN2CCCCC[C@H]2CO)c(Cl)c1 ZINC000162938108 378944251 /nfs/dbraw/zinc/94/42/51/378944251.db2.gz RKEBDYKHDUFOLV-AWEZNQCLSA-N 0 1 278.783 2.949 20 30 CFEDMN CN(C(=O)OC(C)(C)C)[C@@H]1CCCN(CCCC#N)C1 ZINC000170652813 379136093 /nfs/dbraw/zinc/13/60/93/379136093.db2.gz FSKOJKUACSRQQB-CYBMUJFWSA-N 0 1 281.400 2.621 20 30 CFEDMN C=CC[C@@H]1N(Cc2ncnn2CC)CCCC1(C)C ZINC000278819103 194168593 /nfs/dbraw/zinc/16/85/93/194168593.db2.gz IDLSJLASTUIWRV-ZDUSSCGKSA-N 0 1 262.401 2.865 20 30 CFEDMN C[C@@H]1Oc2cc(F)ccc2[C@H]1NCc1cc(C#N)n(C)c1 ZINC000334432544 379290712 /nfs/dbraw/zinc/29/07/12/379290712.db2.gz WXOXGZXCNJJYPT-QFYYESIMSA-N 0 1 285.322 2.648 20 30 CFEDMN N#Cc1ccc(CN2CC[C@@H]3OCC[C@@H]3C2)c(Cl)c1 ZINC000335422979 379269154 /nfs/dbraw/zinc/26/91/54/379269154.db2.gz KDGGHICUKJFTST-HIFRSBDPSA-N 0 1 276.767 2.822 20 30 CFEDMN N#C[C@H]1CN(CC2CCCC2)C[C@@]12c1ccccc1NC2=O ZINC000334426856 379278916 /nfs/dbraw/zinc/27/89/16/379278916.db2.gz ZHRDKJVVTURLHN-KSSFIOAISA-N 0 1 295.386 2.522 20 30 CFEDMN COc1cccc([C@@H](C)N2CCN(CCCC#N)CC2)c1 ZINC000171706129 379381142 /nfs/dbraw/zinc/38/11/42/379381142.db2.gz QVBHCJZZIFWOKK-OAHLLOKOSA-N 0 1 287.407 2.678 20 30 CFEDMN N#Cc1ccc(N2CCC[C@@H](N3CCC34CCC4)C2=O)cc1 ZINC000334571255 379550984 /nfs/dbraw/zinc/55/09/84/379550984.db2.gz HBYFVUDWLCGBHG-MRXNPFEDSA-N 0 1 295.386 2.682 20 30 CFEDMN Cc1n[nH]c(C(F)F)c1NC(=O)c1ccc(C#N)s1 ZINC000335646157 379656233 /nfs/dbraw/zinc/65/62/33/379656233.db2.gz BQJKVAVHJGHFAQ-UHFFFAOYSA-N 0 1 282.275 2.841 20 30 CFEDMN N#CC1(C(=O)Nc2ccc(F)c(F)c2O)CCCC1 ZINC000335077048 379967900 /nfs/dbraw/zinc/96/79/00/379967900.db2.gz UEGPJOWRQFQWOJ-UHFFFAOYSA-N 0 1 266.247 2.693 20 30 CFEDMN C=CCNC(=O)CN1CC[C@H](C)[C@H]1c1cccc(F)c1 ZINC000175150230 380006712 /nfs/dbraw/zinc/00/67/12/380006712.db2.gz HYPZTPSANHCEOZ-LRDDRELGSA-N 0 1 276.355 2.511 20 30 CFEDMN Cc1cnn([C@H]2CC[N@@H+](Cc3ccc(C#N)c(C)c3)C2)c1 ZINC000335870267 380025850 /nfs/dbraw/zinc/02/58/50/380025850.db2.gz UPKNROGMXAFPPY-KRWDZBQOSA-N 0 1 280.375 2.819 20 30 CFEDMN N#Cc1cccc(C[N@H+]2C[C@H](O)C[C@H]2c2ccccc2)c1 ZINC000335247065 380076183 /nfs/dbraw/zinc/07/61/83/380076183.db2.gz CSOCKKKLEDJAKG-MSOLQXFVSA-N 0 1 278.355 2.866 20 30 CFEDMN N#Cc1cc(NC(=O)c2c(F)ccc(O)c2F)ccc1F ZINC000335884437 380049013 /nfs/dbraw/zinc/04/90/13/380049013.db2.gz FZFWIEOXDNFELM-UHFFFAOYSA-N 0 1 292.216 2.933 20 30 CFEDMN C=C1CCN(CCC(=O)Nc2ccc(C(C)=O)cc2)CC1 ZINC000264459210 383742681 /nfs/dbraw/zinc/74/26/81/383742681.db2.gz JZNOKQITVPPHDC-UHFFFAOYSA-N 0 1 286.375 2.870 20 30 CFEDMN C=CC[C@@H](C)NC(=O)NCCN(C)Cc1ccc(F)cc1 ZINC000175942960 380158337 /nfs/dbraw/zinc/15/83/37/380158337.db2.gz OVHDVODPFRKUQT-CYBMUJFWSA-N 0 1 293.386 2.521 20 30 CFEDMN CC1(C)[C@H](O)CCN1CC#Cc1cccc(Cl)c1 ZINC000336030013 380256168 /nfs/dbraw/zinc/25/61/68/380256168.db2.gz PHMNOYXNHNJKAZ-CQSZACIVSA-N 0 1 263.768 2.537 20 30 CFEDMN N#C[C@@H](NC(=O)c1n[nH]c2ccccc21)C1CCCCC1 ZINC000176616620 380257942 /nfs/dbraw/zinc/25/79/42/380257942.db2.gz PTRDVNYQXWYIOF-CQSZACIVSA-N 0 1 282.347 2.765 20 30 CFEDMN CC1(CN2C[C@H](C#N)[C@@]3(C2)c2ccccc2NC3=O)CCC1 ZINC000336137235 380273650 /nfs/dbraw/zinc/27/36/50/380273650.db2.gz CDKRGOYGVPQJSC-UGSOOPFHSA-N 0 1 295.386 2.522 20 30 CFEDMN C=C1CCN(Cc2ccc(-n3cncn3)c(F)c2)CC1 ZINC000336315239 380315134 /nfs/dbraw/zinc/31/51/34/380315134.db2.gz WIOSXTAYYSFFTC-UHFFFAOYSA-N 0 1 272.327 2.558 20 30 CFEDMN N#Cc1c(F)cccc1CN[C@H]1Cc2cccc(O)c2C1 ZINC000336516628 380396351 /nfs/dbraw/zinc/39/63/51/380396351.db2.gz LXAPQPNNRQVWJE-ZDUSSCGKSA-N 0 1 282.318 2.660 20 30 CFEDMN C=C(C)CN1CCC(Nc2nn3cc(C)nc3s2)CC1 ZINC000264487016 383746028 /nfs/dbraw/zinc/74/60/28/383746028.db2.gz MZNAROPAORZEHR-UHFFFAOYSA-N 0 1 291.424 2.552 20 30 CFEDMN Cc1ccc(-c2n[nH]c(NC(=O)c3cc(C#N)cs3)n2)o1 ZINC000177823468 380383017 /nfs/dbraw/zinc/38/30/17/380383017.db2.gz BFWKRGMUUUJBSD-UHFFFAOYSA-N 0 1 299.315 2.559 20 30 CFEDMN C[C@H]1CSC[C@@H]1NCc1cccc(F)c1C#N ZINC000336515273 380395384 /nfs/dbraw/zinc/39/53/84/380395384.db2.gz NGXQAXJXKKQEAW-ZANVPECISA-N 0 1 250.342 2.538 20 30 CFEDMN C[C@@H](C#N)CNC(=O)Nc1ccc2nc(C(F)F)[nH]c2c1 ZINC000179509120 380550121 /nfs/dbraw/zinc/55/01/21/380550121.db2.gz OCAKMPOSLNFVEF-ZETCQYMHSA-N 0 1 293.277 2.782 20 30 CFEDMN C=CCN[C@H](CCO)c1ccccc1Br ZINC000336734583 380619731 /nfs/dbraw/zinc/61/97/31/380619731.db2.gz NJSKLWNPIIVYMM-GFCCVEGCSA-N 0 1 270.170 2.648 20 30 CFEDMN CN(Cc1cc(F)ccc1C#N)C[C@@H]1CCCC[C@@H]1O ZINC000181468357 380799410 /nfs/dbraw/zinc/79/94/10/380799410.db2.gz ARVDFZGJXDLXJX-BBRMVZONSA-N 0 1 276.355 2.680 20 30 CFEDMN C=CCC[C@@H](NCC1(S(C)(=O)=O)CCC1)c1ccco1 ZINC000287440229 380833659 /nfs/dbraw/zinc/83/36/59/380833659.db2.gz KZGXXCQWWFFMPP-CYBMUJFWSA-N 0 1 297.420 2.844 20 30 CFEDMN N#Cc1cccc(C2(NCc3cccc4nccn43)CC2)c1 ZINC000341228867 380845726 /nfs/dbraw/zinc/84/57/26/380845726.db2.gz UUGZWVIDQCPVHW-UHFFFAOYSA-N 0 1 288.354 2.985 20 30 CFEDMN Cc1cc(C)c(CNCc2ccc(C#N)c(F)c2)cn1 ZINC000404028105 380897493 /nfs/dbraw/zinc/89/74/93/380897493.db2.gz VYBIHLANOHRJRL-UHFFFAOYSA-N 0 1 269.323 2.999 20 30 CFEDMN C#C[C@H](C)NCc1c(Cl)n(C)nc1-c1ccccc1 ZINC000368042646 380900764 /nfs/dbraw/zinc/90/07/64/380900764.db2.gz VTROBQDVCCFOJI-NSHDSACASA-N 0 1 273.767 2.852 20 30 CFEDMN CCN(C(=O)c1ccc2cncn2c1)c1ccc(C#N)cc1 ZINC000341382117 380979263 /nfs/dbraw/zinc/97/92/63/380979263.db2.gz LUFNLKWYYASELT-UHFFFAOYSA-N 0 1 290.326 2.873 20 30 CFEDMN Cc1oc(C#N)cc1-c1nc(-c2ccn3cncc3c2)no1 ZINC000347168143 380980584 /nfs/dbraw/zinc/98/05/84/380980584.db2.gz CKAQEINESMYPTH-UHFFFAOYSA-N 0 1 291.270 2.824 20 30 CFEDMN C=CCN(Cc1cccc([N+](=O)[O-])c1)[C@@H](C)COC ZINC000411192846 381015328 /nfs/dbraw/zinc/01/53/28/381015328.db2.gz MVDCLXJYVNBCAC-LBPRGKRZSA-N 0 1 264.325 2.618 20 30 CFEDMN C=CCN(CCc1ccccc1)[C@H](C)C(=O)N(C)C(C)C ZINC000411202877 381016079 /nfs/dbraw/zinc/01/60/79/381016079.db2.gz VXSCYSKABBDZIC-MRXNPFEDSA-N 0 1 288.435 2.972 20 30 CFEDMN CCC(CC)CN(CCC#N)CCC1(O)CCC1 ZINC000411300331 381021578 /nfs/dbraw/zinc/02/15/78/381021578.db2.gz BPKHXQNFLAMFBP-UHFFFAOYSA-N 0 1 252.402 2.943 20 30 CFEDMN C[C@@H](NCc1cnc2n1CCCC2)c1cccc(C#N)c1 ZINC000368501084 381047196 /nfs/dbraw/zinc/04/71/96/381047196.db2.gz ZTIPIUSBVZWIJD-CYBMUJFWSA-N 0 1 280.375 2.942 20 30 CFEDMN C=CC[C@@H](C(=O)N1C[C@@H](C)N(C)[C@@H](C)C1)c1ccccc1 ZINC000358759064 381062949 /nfs/dbraw/zinc/06/29/49/381062949.db2.gz PWDUNPIGIJKSJF-HLLBOEOZSA-N 0 1 286.419 2.897 20 30 CFEDMN C#CCN1CCC(c2nc(-c3sccc3C)no2)CC1 ZINC000289627148 381074905 /nfs/dbraw/zinc/07/49/05/381074905.db2.gz BVQLHYNQTLRDKE-UHFFFAOYSA-N 0 1 287.388 2.919 20 30 CFEDMN C=CC[C@H](C)NCc1cn(-c2ccccc2C)nn1 ZINC000289766054 381145316 /nfs/dbraw/zinc/14/53/16/381145316.db2.gz OYTKTTABFMZIGC-ZDUSSCGKSA-N 0 1 256.353 2.630 20 30 CFEDMN C=C[C@H](CO)N[C@H](C)c1ccc(F)cc1OC(F)F ZINC000289770045 381146991 /nfs/dbraw/zinc/14/69/91/381146991.db2.gz MDGDXEOXEMWRBV-PSASIEDQSA-N 0 1 275.270 2.625 20 30 CFEDMN C[C@@H](N[C@H](C)c1cc2ccccc2o1)C(=O)N(C)CCC#N ZINC000182638147 381126883 /nfs/dbraw/zinc/12/68/83/381126883.db2.gz AAISAUOAWRNPQN-CHWSQXEVSA-N 0 1 299.374 2.844 20 30 CFEDMN C=CC[C@@H]1N(C(=O)[C@H]2CCCN2C)CCCC1(C)C ZINC000347474302 381174838 /nfs/dbraw/zinc/17/48/38/381174838.db2.gz VRRGIMDTVZITIU-KGLIPLIRSA-N 0 1 264.413 2.674 20 30 CFEDMN C=C[C@H](CO)N[C@@H](C)c1cnn(-c2ccc(F)cc2)c1C ZINC000289832543 381180215 /nfs/dbraw/zinc/18/02/15/381180215.db2.gz PLECJPKBKPMDSZ-SMDDNHRTSA-N 0 1 289.354 2.517 20 30 CFEDMN C[C@@H](NCc1n[nH]c(C2CC2)n1)c1ccc(C#N)cc1F ZINC000347613630 381255499 /nfs/dbraw/zinc/25/54/99/381255499.db2.gz PCWJSHAPUCBEEK-SECBINFHSA-N 0 1 285.326 2.544 20 30 CFEDMN C[C@@]1(CNCc2ccc(C#N)o2)OCCc2sccc21 ZINC000289936156 381224351 /nfs/dbraw/zinc/22/43/51/381224351.db2.gz WOGKCAHRMYWAQJ-HNNXBMFYSA-N 0 1 288.372 2.790 20 30 CFEDMN Cc1ccc(C(=O)C(C#N)c2ccncn2)cc1Cl ZINC000354457369 381282847 /nfs/dbraw/zinc/28/28/47/381282847.db2.gz AQOIUOYYDIHMRY-LLVKDONJSA-N 0 1 271.707 2.929 20 30 CFEDMN Cc1ccc(C(=O)C(C#N)c2ccncn2)cc1Cl ZINC000354457370 381282978 /nfs/dbraw/zinc/28/29/78/381282978.db2.gz AQOIUOYYDIHMRY-NSHDSACASA-N 0 1 271.707 2.929 20 30 CFEDMN Cc1cc([C@@H](C)NCC(=O)N[C@@](C)(C#N)C(C)C)c(C)o1 ZINC000183792565 381321674 /nfs/dbraw/zinc/32/16/74/381321674.db2.gz ZIWWCCJIPPRXME-WBMJQRKESA-N 0 1 291.395 2.602 20 30 CFEDMN C[C@@H](C#N)CN(C)C(=O)[C@@H]1CCCCN1Cc1ccccc1 ZINC000342424824 381324805 /nfs/dbraw/zinc/32/48/05/381324805.db2.gz NEEQGGFRVLNLQL-RDJZCZTQSA-N 0 1 299.418 2.659 20 30 CFEDMN CC(C)OC[C@@H]1CN(CCCCC(C)(C)C#N)CCO1 ZINC000369721287 381320420 /nfs/dbraw/zinc/32/04/20/381320420.db2.gz DLHZXAQFKNWGLC-HNNXBMFYSA-N 0 1 282.428 2.832 20 30 CFEDMN CC(=O)c1ccc(C#N)c(N[C@@H]2CCCN(C)[C@@H]2C)c1 ZINC000347874415 381392749 /nfs/dbraw/zinc/39/27/49/381392749.db2.gz JBXODNSDBVCXAC-IAQYHMDHSA-N 0 1 271.364 2.655 20 30 CFEDMN C[C@H]1CN(Cc2ccc(CC#N)cc2)C[C@@H](C2CC2)O1 ZINC000348250201 381476537 /nfs/dbraw/zinc/47/65/37/381476537.db2.gz XVSJOZPJCIVCGU-GUYCJALGSA-N 0 1 270.376 2.752 20 30 CFEDMN C=CC[C@H](CO)CNc1ccnc2cc(F)c(OC)cc21 ZINC000359572275 381478529 /nfs/dbraw/zinc/47/85/29/381478529.db2.gz AGPXXXSFKXATDR-NSHDSACASA-N 0 1 290.338 2.979 20 30 CFEDMN Cc1cc([C@@H]2CCCN2C[C@H](O)c2ccc(C#N)cc2)no1 ZINC000370570675 381469413 /nfs/dbraw/zinc/46/94/13/381469413.db2.gz VJXUQQMZWFVSKX-IRXDYDNUSA-N 0 1 297.358 2.725 20 30 CFEDMN C=CCCN(C)[C@H](C)C(=O)Nc1ccc(-c2c[nH]cn2)cc1 ZINC000348189441 381469612 /nfs/dbraw/zinc/46/96/12/381469612.db2.gz SPDSMOACZNCMMY-CYBMUJFWSA-N 0 1 298.390 2.912 20 30 CFEDMN CCc1nccc([C@H]2CCCN(CCCC#N)C2)n1 ZINC000370740927 381504520 /nfs/dbraw/zinc/50/45/20/381504520.db2.gz PRCUUBZCTVJXGE-ZDUSSCGKSA-N 0 1 258.369 2.522 20 30 CFEDMN C=C[C@](C)(CC)C(=O)N1CC(N(C)Cc2ccccc2)C1 ZINC000342751153 381518039 /nfs/dbraw/zinc/51/80/39/381518039.db2.gz CODPCFRJZJXKAL-GOSISDBHSA-N 0 1 286.419 2.932 20 30 CFEDMN Cc1[nH]ncc1CNc1cc(C#N)ccc1OC(C)C ZINC000354868390 381497996 /nfs/dbraw/zinc/49/79/96/381497996.db2.gz NISNSMROZHOTLF-UHFFFAOYSA-N 0 1 270.336 2.989 20 30 CFEDMN Cc1ccc2nc(CNc3nccc(C#N)c3Cl)[nH]c2c1 ZINC000342777788 381532706 /nfs/dbraw/zinc/53/27/06/381532706.db2.gz BGBSHOFWIYFWGT-UHFFFAOYSA-N 0 1 297.749 2.825 20 30 CFEDMN Cn1cc(CNCc2ccc3ccccc3n2)cc1C#N ZINC000359765688 381603569 /nfs/dbraw/zinc/60/35/69/381603569.db2.gz MMNFJVPJPHSRBH-UHFFFAOYSA-N 0 1 276.343 2.735 20 30 CFEDMN C=CCOc1cccc(CN2CCCO[C@H](CF)C2)c1 ZINC000414476178 381587555 /nfs/dbraw/zinc/58/75/55/381587555.db2.gz JALXOUUOPVHPHL-MRXNPFEDSA-N 0 1 279.355 2.812 20 30 CFEDMN C[C@H](NCC1(C#N)CC1)[C@H]1Oc2ccccc2[C@H]1C ZINC000348529879 381612180 /nfs/dbraw/zinc/61/21/80/381612180.db2.gz GJBUBVQVTRAFAY-XUJVJEKNSA-N 0 1 256.349 2.833 20 30 CFEDMN C=CCC[C@H](O)CN1CCN([C@H](C)c2ccsc2)CC1 ZINC000185451130 381636831 /nfs/dbraw/zinc/63/68/31/381636831.db2.gz GFIPMTMILWLEAE-ZBFHGGJFSA-N 0 1 294.464 2.754 20 30 CFEDMN CCC(CC)CN1C[C@H](C#N)[C@@]2(C1)c1ccccc1NC2=O ZINC000371468845 381633735 /nfs/dbraw/zinc/63/37/35/381633735.db2.gz BUCWZBRECVDKQC-KSSFIOAISA-N 0 1 297.402 2.768 20 30 CFEDMN C=CCOc1ccc(CN2CCOC[C@H](C)C2)cc1OC ZINC000359865484 381649240 /nfs/dbraw/zinc/64/92/40/381649240.db2.gz DWOXNBSCOBAEIR-CQSZACIVSA-N 0 1 291.391 2.728 20 30 CFEDMN C#CCONC(=O)[C@H](C)c1ccc(Cl)c(Cl)c1 ZINC000291166965 381692669 /nfs/dbraw/zinc/69/26/69/381692669.db2.gz DETLATAEEPBNSU-MRVPVSSYSA-N 0 1 272.131 2.778 20 30 CFEDMN CCCNc1ccc(C#N)cc1NC(=O)[C@@H](CC)N(C)C ZINC000298648864 381698099 /nfs/dbraw/zinc/69/80/99/381698099.db2.gz SCZUNOLKIAJEEU-OAHLLOKOSA-N 0 1 288.395 2.659 20 30 CFEDMN C=CCNC(=O)CN1CCC(c2ccc(Cl)cc2)CC1 ZINC000185797005 381736142 /nfs/dbraw/zinc/73/61/42/381736142.db2.gz SZOKVTHCBOPQLO-UHFFFAOYSA-N 0 1 292.810 2.822 20 30 CFEDMN C#CC[C@H](NCC(=O)N1CCCC[C@H]1C)c1ccccc1 ZINC000298930721 381784006 /nfs/dbraw/zinc/78/40/06/381784006.db2.gz NVGFCAADOXNECA-WBVHZDCISA-N 0 1 284.403 2.742 20 30 CFEDMN C=CCNC(=O)[C@H](C)N[C@H](C)c1cc2cccc(F)c2o1 ZINC000355779296 381802742 /nfs/dbraw/zinc/80/27/42/381802742.db2.gz ZIPJMPAZSRELFW-MNOVXSKESA-N 0 1 290.338 2.913 20 30 CFEDMN C=CCNC(=O)[C@@H](C)N[C@@H](C)c1cc2cccc(F)c2o1 ZINC000355779303 381802874 /nfs/dbraw/zinc/80/28/74/381802874.db2.gz ZIPJMPAZSRELFW-WDEREUQCSA-N 0 1 290.338 2.913 20 30 CFEDMN C#CCN1CCC(C(=O)N(Cc2ccccc2)C2CC2)CC1 ZINC000299158504 381845874 /nfs/dbraw/zinc/84/58/74/381845874.db2.gz QDBPWLJBCLMLBL-UHFFFAOYSA-N 0 1 296.414 2.523 20 30 CFEDMN C=CCOCCCN1C[C@@H](O)C[C@@H]1c1ccc(F)c(F)c1 ZINC000343680717 381885726 /nfs/dbraw/zinc/88/57/26/381885726.db2.gz GIEICEGHIPUGKR-XJKSGUPXSA-N 0 1 297.345 2.665 20 30 CFEDMN C=CCN(CC1CCCCC1)C(=O)c1ccnc(CN)c1 ZINC000361628397 381851677 /nfs/dbraw/zinc/85/16/77/381851677.db2.gz TWWIRZFBJQKNCS-UHFFFAOYSA-N 0 1 287.407 2.749 20 30 CFEDMN C=CCN(CCOC)Cc1c[nH]nc1-c1ccsc1 ZINC000361643953 381853949 /nfs/dbraw/zinc/85/39/49/381853949.db2.gz OEGYEHBGGUQKMB-UHFFFAOYSA-N 0 1 277.393 2.773 20 30 CFEDMN C=CCCC1(C(=O)N2C[C@@H]3CCCCN3C[C@@H]2C)CC1 ZINC000361714422 381859333 /nfs/dbraw/zinc/85/93/33/381859333.db2.gz PPLCDTNYNSCSCC-GJZGRUSLSA-N 0 1 276.424 2.818 20 30 CFEDMN C(#Cc1ccccc1)CN1CC[C@H](Oc2ccncc2)C1 ZINC000361829390 381866324 /nfs/dbraw/zinc/86/63/24/381866324.db2.gz HZUWMLRSYLGPBX-SFHVURJKSA-N 0 1 278.355 2.586 20 30 CFEDMN C=CCN(CC)[C@@H]1CCCN(c2ccc(C#N)cc2)C1=O ZINC000361904574 381871645 /nfs/dbraw/zinc/87/16/45/381871645.db2.gz APLWTBADQDBZFE-MRXNPFEDSA-N 0 1 283.375 2.562 20 30 CFEDMN C=C(C)[C@@H](N[C@@H]1CCOC1)c1ccc(F)c(F)c1 ZINC000186454303 381914695 /nfs/dbraw/zinc/91/46/95/381914695.db2.gz FYXKYANKEJZSBU-BXUZGUMPSA-N 0 1 253.292 2.961 20 30 CFEDMN CC[C@]1(C)COCCN1Cc1ccc(CC#N)cc1 ZINC000343756750 381926973 /nfs/dbraw/zinc/92/69/73/381926973.db2.gz ZRPXSHJQDHHXMQ-MRXNPFEDSA-N 0 1 258.365 2.754 20 30 CFEDMN CC(C)[C@]1(CO)CCCN(Cc2ccc(C#N)cc2F)C1 ZINC000292985183 381934393 /nfs/dbraw/zinc/93/43/93/381934393.db2.gz HSJBBSFREQJSDZ-QGZVFWFLSA-N 0 1 290.382 2.928 20 30 CFEDMN C=C(Cl)CN[C@H](C)c1ccc(OCC(=O)OC)cc1 ZINC000299451395 381948636 /nfs/dbraw/zinc/94/86/36/381948636.db2.gz WREWLOCABHDDDI-LLVKDONJSA-N 0 1 283.755 2.642 20 30 CFEDMN C=CCOCCN1CCC[C@H](C(=O)c2ccc(F)cc2)C1 ZINC000293155800 382011695 /nfs/dbraw/zinc/01/16/95/382011695.db2.gz RFFJEMPOFZVLJD-HNNXBMFYSA-N 0 1 291.366 2.923 20 30 CFEDMN N#Cc1csc(CN[C@H](CO)c2ccsc2)c1 ZINC000349630596 381975696 /nfs/dbraw/zinc/97/56/96/381975696.db2.gz MQYGEUXHBQZPTF-GFCCVEGCSA-N 0 1 264.375 2.504 20 30 CFEDMN CCN1C[C@H](C)N(C(=O)[C@H](C)c2cccc(C#N)c2)[C@@H](C)C1 ZINC000362277780 381987624 /nfs/dbraw/zinc/98/76/24/381987624.db2.gz HUGIDGYQJJEMRI-SOUVJXGZSA-N 0 1 299.418 2.603 20 30 CFEDMN C=CCCOCCN[C@@H](c1ccccc1)c1cncnc1 ZINC000349773877 381989305 /nfs/dbraw/zinc/98/93/05/381989305.db2.gz HAERYMOLUILQBF-KRWDZBQOSA-N 0 1 283.375 2.748 20 30 CFEDMN N#C[C@@H]1CC[C@H](NCc2ccn(-c3ccccc3)n2)C1 ZINC000349801530 381991566 /nfs/dbraw/zinc/99/15/66/381991566.db2.gz LWKNNPINOXZEAY-KGLIPLIRSA-N 0 1 266.348 2.654 20 30 CFEDMN COc1ccc(C#N)cc1CN1CCCC2(CC2)C1 ZINC000186954089 382056059 /nfs/dbraw/zinc/05/60/59/382056059.db2.gz NUNWRFPVRFHXFJ-UHFFFAOYSA-N 0 1 256.349 2.943 20 30 CFEDMN C=CCN(CCc1ccccc1)Cc1cc(C)nn1C ZINC000417754818 382062737 /nfs/dbraw/zinc/06/27/37/382062737.db2.gz KTRIWTYNPCFSHI-UHFFFAOYSA-N 0 1 269.392 2.959 20 30 CFEDMN Cc1cccc2nc(Cc3noc([C@@]4(C#N)C[C@@H]4C)n3)[nH]c21 ZINC000351083190 382025792 /nfs/dbraw/zinc/02/57/92/382025792.db2.gz NRYOPRCSBYXGRH-MGPLVRAMSA-N 0 1 293.330 2.646 20 30 CFEDMN C=C(C)CN(CC)Cc1cc(-c2cccnc2)n[nH]1 ZINC000362379887 382036809 /nfs/dbraw/zinc/03/68/09/382036809.db2.gz KVTINGCYTBMPFU-UHFFFAOYSA-N 0 1 256.353 2.870 20 30 CFEDMN C=CCCOCCNCc1cccc(O)c1Cl ZINC000293392446 382106822 /nfs/dbraw/zinc/10/68/22/382106822.db2.gz XEUSGOCTOIAIRJ-UHFFFAOYSA-N 0 1 255.745 2.728 20 30 CFEDMN C=CCCCCCN1CCOC[C@@H]1[C@H]1CCCO1 ZINC000375740167 382100750 /nfs/dbraw/zinc/10/07/50/382100750.db2.gz DLTISQYENZLNJD-HUUCEWRRSA-N 0 1 253.386 2.613 20 30 CFEDMN C[C@H]1CCN(Cc2ccccc2C(C)(C)C#N)[C@H](C(N)=O)C1 ZINC000187402909 382174601 /nfs/dbraw/zinc/17/46/01/382174601.db2.gz IUBKXBSHKMADCF-BBRMVZONSA-N 0 1 299.418 2.574 20 30 CFEDMN C=CCCOCCCCC(=O)Nc1cc(N(C)C)ccn1 ZINC000680261284 542297449 /nfs/dbraw/zinc/29/74/49/542297449.db2.gz FHWVVMGCFAMPNH-UHFFFAOYSA-N 0 1 291.395 2.849 20 30 CFEDMN CC(C)N1CCc2nc(CN(C)C[C@@H](C)C#N)sc2C1 ZINC000376353800 382131144 /nfs/dbraw/zinc/13/11/44/382131144.db2.gz QVLMSBHUPJYATC-LBPRGKRZSA-N 0 1 292.452 2.501 20 30 CFEDMN CC[C@@]1(CO)CCCN(Cc2cc(C#N)ccc2F)C1 ZINC000187528209 382203060 /nfs/dbraw/zinc/20/30/60/382203060.db2.gz MJXGQMXZYRJENU-MRXNPFEDSA-N 0 1 276.355 2.682 20 30 CFEDMN CC1=CCN(CCNc2cc(C#N)ccc2[N+](=O)[O-])CC1 ZINC000302216918 382216364 /nfs/dbraw/zinc/21/63/64/382216364.db2.gz PPAVEXVVRVZPNN-UHFFFAOYSA-N 0 1 286.335 2.530 20 30 CFEDMN CC[C@]1(C)CCN(CC(=O)Nc2cccc(C#N)c2)C1 ZINC000344243593 382226495 /nfs/dbraw/zinc/22/64/95/382226495.db2.gz VBLABOUYEATWBR-MRXNPFEDSA-N 0 1 271.364 2.619 20 30 CFEDMN COCCN(Cc1nc(C#N)cs1)[C@H]1CCC[C@@H]1C ZINC000419308569 382279517 /nfs/dbraw/zinc/27/95/17/382279517.db2.gz PDQZGJYLSLMIML-AAEUAGOBSA-N 0 1 279.409 2.652 20 30 CFEDMN COC[C@@H]1CCCCN(Cc2ccc(F)cc2C#N)C1 ZINC000364153484 382273963 /nfs/dbraw/zinc/27/39/63/382273963.db2.gz NIPQMWVYDNGBCG-CYBMUJFWSA-N 0 1 276.355 2.946 20 30 CFEDMN CC(C)(C#N)CCN1CCCC[C@@H]1[C@@H](O)C(F)(F)F ZINC000345761350 382311566 /nfs/dbraw/zinc/31/15/66/382311566.db2.gz VVHKJPONJUQIJW-GHMZBOCLSA-N 0 1 278.318 2.704 20 30 CFEDMN C=C(C)CC[N@H+]1C[C@H]2OCCN(Cc3ccccc3)[C@H]2C1 ZINC000352413112 382317695 /nfs/dbraw/zinc/31/76/95/382317695.db2.gz LVUGUCWXPJCULH-ZWKOTPCHSA-N 0 1 286.419 2.538 20 30 CFEDMN C=CCC(CC=C)C(=O)N1C[C@@H](C)N(CC)C[C@H]1C ZINC000345896577 382320808 /nfs/dbraw/zinc/32/08/08/382320808.db2.gz ADUHRGMILDZTMH-ZIAGYGMSSA-N 0 1 264.413 2.696 20 30 CFEDMN C[C@@H](NC(=O)C(C#N)c1ncc(C(C)(C)C)s1)C1CC1 ZINC000419842287 382322517 /nfs/dbraw/zinc/32/25/17/382322517.db2.gz VLUJMUHPCWTKTK-KOLCDFICSA-N 0 1 291.420 2.962 20 30 CFEDMN CC(C)(C)NC(=O)C(C#N)c1ncc(C(C)(C)C)s1 ZINC000419843587 382322615 /nfs/dbraw/zinc/32/26/15/382322615.db2.gz XUOOPANJFSELOE-SECBINFHSA-N 0 1 279.409 2.962 20 30 CFEDMN CC(C)CNC(=O)C(C#N)c1ncc(C(C)(C)C)s1 ZINC000419843244 382323219 /nfs/dbraw/zinc/32/32/19/382323219.db2.gz XHLAYIASZMDJOI-JTQLQIEISA-N 0 1 279.409 2.820 20 30 CFEDMN C=CCOCCN(Cc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000293910340 382333203 /nfs/dbraw/zinc/33/32/03/382333203.db2.gz WXYOOSKBSZNFCR-UHFFFAOYSA-N 0 1 276.336 2.762 20 30 CFEDMN C=CCOCCN[C@](C)(CC)c1nc(C)cs1 ZINC000293911943 382333629 /nfs/dbraw/zinc/33/36/29/382333629.db2.gz WZVUHVVGAZUSIH-CYBMUJFWSA-N 0 1 254.399 2.869 20 30 CFEDMN C=C[C@@H](CO)NCc1cc(Cl)cc(C(F)(F)F)c1 ZINC000352452070 382340392 /nfs/dbraw/zinc/34/03/92/382340392.db2.gz ARSGMAZARNTEKB-NSHDSACASA-N 0 1 279.689 2.995 20 30 CFEDMN C[C@@H]1[C@@H](C)[C@H](C)CN1Cc1c(C#N)cccc1[N+](=O)[O-] ZINC000419351757 382295224 /nfs/dbraw/zinc/29/52/24/382295224.db2.gz JQCIEMRHUFHWNL-GRYCIOLGSA-N 0 1 273.336 2.943 20 30 CFEDMN N#Cc1ccc(CN[C@H](c2nnc[nH]2)c2ccccc2)s1 ZINC000364677023 382353287 /nfs/dbraw/zinc/35/32/87/382353287.db2.gz NKVSEWKEBRRFJS-AWEZNQCLSA-N 0 1 295.371 2.617 20 30 CFEDMN N#Cc1csc(C(=O)Nc2ccc3nc[nH]c3c2)c1 ZINC000352626336 382423255 /nfs/dbraw/zinc/42/32/55/382423255.db2.gz MVMGOOQGLXOJLX-UHFFFAOYSA-N 0 1 268.301 2.748 20 30 CFEDMN C[C@@H](NCC1(C#N)CC1)c1cccc(-n2ccnc2)c1 ZINC000346538468 382402157 /nfs/dbraw/zinc/40/21/57/382402157.db2.gz SNRKKZAQBDFHMZ-CYBMUJFWSA-N 0 1 266.348 2.827 20 30 CFEDMN N#Cc1ccc2ncc(CN3CC4(CCC4)[C@@H]3C3CC3)n2c1 ZINC000378144221 382406807 /nfs/dbraw/zinc/40/68/07/382406807.db2.gz YWMKBKNYWLSLLO-KRWDZBQOSA-N 0 1 292.386 2.970 20 30 CFEDMN N#Cc1ccc([C@H](O)CN2CCC[C@H]2c2nccs2)cc1 ZINC000378145597 382407920 /nfs/dbraw/zinc/40/79/20/382407920.db2.gz SYHGCYZOWJTYOU-LSDHHAIUSA-N 0 1 299.399 2.885 20 30 CFEDMN C[C@@H](NC(=O)C(C#N)c1nc2ccccc2s1)C1CC1 ZINC000358124704 382461263 /nfs/dbraw/zinc/46/12/63/382461263.db2.gz OQDIYFJQZZFRNY-KOLCDFICSA-N 0 1 285.372 2.818 20 30 CFEDMN CC[C@H](C)c1ncc(NC(=O)c2ccc(C#N)c(O)c2)cn1 ZINC000358144932 382467949 /nfs/dbraw/zinc/46/79/49/382467949.db2.gz GQMOGYCMKJRMEQ-JTQLQIEISA-N 0 1 296.330 2.820 20 30 CFEDMN C=CC[C@@H](C)[C@@H](C)NCc1n[nH]cc1Br ZINC000309012761 382489108 /nfs/dbraw/zinc/48/91/08/382489108.db2.gz SKKLVJAVWZSZLE-RKDXNWHRSA-N 0 1 272.190 2.863 20 30 CFEDMN C#CCN(Cc1ccc(F)cc1)C[C@@H](O)CC(F)(F)F ZINC000188914434 382504034 /nfs/dbraw/zinc/50/40/34/382504034.db2.gz MJTPLPXPQXGYTO-ZDUSSCGKSA-N 0 1 289.272 2.574 20 30 CFEDMN C[C@@H]1CC[C@H](O)CN1CC#Cc1ccc(C(F)(F)F)cc1 ZINC000421008777 382504233 /nfs/dbraw/zinc/50/42/33/382504233.db2.gz HBCVBNVEGJPRDC-DOMZBBRYSA-N 0 1 297.320 2.902 20 30 CFEDMN CC[C@H](CC#N)NCc1cc(-n2ccnc2)cs1 ZINC000358281645 382546119 /nfs/dbraw/zinc/54/61/19/382546119.db2.gz RRSOYPFDDNSRGB-LLVKDONJSA-N 0 1 260.366 2.716 20 30 CFEDMN CC(=O)Nc1ccn([C@H]2CCN([C@H](C)c3ccccn3)C2)n1 ZINC000328617209 382554904 /nfs/dbraw/zinc/55/49/04/382554904.db2.gz CLVVUEUENNUNJG-OCCSQVGLSA-N 0 1 299.378 2.894 20 30 CFEDMN Cc1noc(C(C)C)c1C(=O)N[C@H]1CCN(C2CC2)C1 ZINC000328671801 382562751 /nfs/dbraw/zinc/56/27/51/382562751.db2.gz HOQJYRRNCWBZFB-NSHDSACASA-N 0 1 277.368 2.648 20 30 CFEDMN C[C@]1(C(=O)N[C@H]2CCCc3cn[nH]c32)CCC(=O)NC1 ZINC000328685384 382563285 /nfs/dbraw/zinc/56/32/85/382563285.db2.gz XKFDUWDZPCTMJB-HZMBPMFUSA-N 0 1 276.340 2.500 20 30 CFEDMN N#Cc1ccc2c(c1)[C@@H](N[C@H](CO)c1ccsc1)CC2 ZINC000353597576 382571198 /nfs/dbraw/zinc/57/11/98/382571198.db2.gz PVXONEURIDTNNN-JKSUJKDBSA-N 0 1 284.384 2.930 20 30 CFEDMN CC(C)n1cc(C#N)c(=NC(=O)c2ccc([C@H]3C[C@H]3C)o2)[nH]1 ZINC000366639503 382537136 /nfs/dbraw/zinc/53/71/36/382537136.db2.gz TVAOEFQDCJMYLM-PWSUYJOCSA-N 0 1 298.346 2.726 20 30 CFEDMN CN(C)c1cccnc1CN[C@@H]1CCc2ccc(C#N)cc21 ZINC000353622141 382583649 /nfs/dbraw/zinc/58/36/49/382583649.db2.gz LRCFWYZNAUODIY-MRXNPFEDSA-N 0 1 292.386 2.796 20 30 CFEDMN CC1(C)CN(Cc2cccc(C#N)c2)CC(C)(C)O1 ZINC000189648475 382632282 /nfs/dbraw/zinc/63/22/82/382632282.db2.gz PSKKFLUTBIHGRP-UHFFFAOYSA-N 0 1 258.365 2.948 20 30 CFEDMN C=CCNC(=O)[C@@H](C)N[C@H](c1ccccn1)C1CCCC1 ZINC000367729787 382584296 /nfs/dbraw/zinc/58/42/96/382584296.db2.gz PZLARJMDWKADJT-CJNGLKHVSA-N 0 1 287.407 2.593 20 30 CFEDMN C=CCCCN(C)CC(=O)Nc1ccc(C)cc1F ZINC000346965686 382589335 /nfs/dbraw/zinc/58/93/35/382589335.db2.gz RNTXUSCBSPAXQA-UHFFFAOYSA-N 0 1 264.344 2.971 20 30 CFEDMN C=CC[C@H](C(=O)N[C@H]1CCc2nc[nH]c2C1)c1ccccc1 ZINC000358371177 382591860 /nfs/dbraw/zinc/59/18/60/382591860.db2.gz BMDDJXTUOIZJBU-GJZGRUSLSA-N 0 1 295.386 2.743 20 30 CFEDMN CO[C@H]1CN(Cc2ccc(C#N)cc2F)CC[C@@H]1C ZINC000189341657 382595338 /nfs/dbraw/zinc/59/53/38/382595338.db2.gz BFGYVRWFWWCIHS-NHYWBVRUSA-N 0 1 262.328 2.554 20 30 CFEDMN Cn1cc(CN[C@@H]2CCCc3occc32)cc1C#N ZINC000189580108 382626381 /nfs/dbraw/zinc/62/63/81/382626381.db2.gz OKUMYOZPWORJLK-CQSZACIVSA-N 0 1 255.321 2.657 20 30 CFEDMN CO[C@H]1CN(Cc2ccc(F)c(C#N)c2)CC[C@@H]1C ZINC000189269073 382578401 /nfs/dbraw/zinc/57/84/01/382578401.db2.gz YTADVOAWIBKGLS-NHYWBVRUSA-N 0 1 262.328 2.554 20 30 CFEDMN C=C(C)C[C@H](C)C(=O)NCCc1nnc(-c2ccccc2)[nH]1 ZINC000189800675 382641313 /nfs/dbraw/zinc/64/13/13/382641313.db2.gz WWCCKMIJBGYXSR-ZDUSSCGKSA-N 0 1 298.390 2.733 20 30 CFEDMN C=CCSCCNCc1nccn1-c1ccccc1 ZINC000190958067 382686694 /nfs/dbraw/zinc/68/66/94/382686694.db2.gz VUMIYOFHHOUKLP-UHFFFAOYSA-N 0 1 273.405 2.881 20 30 CFEDMN C[C@@H](c1cccc(C#N)c1)N(CCO)Cc1cccnc1 ZINC000189925584 382645533 /nfs/dbraw/zinc/64/55/33/382645533.db2.gz ZGGLNRFEMWRSSV-AWEZNQCLSA-N 0 1 281.359 2.509 20 30 CFEDMN C=CCC[C@H](C(=O)N[C@@H](C)c1nnc[nH]1)c1ccccc1 ZINC000190005066 382649887 /nfs/dbraw/zinc/64/98/87/382649887.db2.gz JSCOZVBEWSKRBH-JSGCOSHPSA-N 0 1 284.363 2.732 20 30 CFEDMN CN(Cc1cc(C#N)n(C)c1)Cc1cccc(F)c1 ZINC000191172115 382694219 /nfs/dbraw/zinc/69/42/19/382694219.db2.gz RMJAVZYZNHSNIS-UHFFFAOYSA-N 0 1 257.312 2.668 20 30 CFEDMN COc1ccc(CN(C)Cc2cc(C#N)n(C)c2)cc1C ZINC000191299676 382698030 /nfs/dbraw/zinc/69/80/30/382698030.db2.gz UFQVCQGBVUXGAW-UHFFFAOYSA-N 0 1 283.375 2.846 20 30 CFEDMN C=CCCOCCNCc1ccc(Br)o1 ZINC000191488929 382701008 /nfs/dbraw/zinc/70/10/08/382701008.db2.gz AZTWFMHMOVYSFZ-UHFFFAOYSA-N 0 1 274.158 2.724 20 30 CFEDMN CN(CC#Cc1ccccc1)CCc1ccncc1 ZINC000192141984 382704977 /nfs/dbraw/zinc/70/49/77/382704977.db2.gz JOOQEMUVOMYXQK-UHFFFAOYSA-N 0 1 250.345 2.608 20 30 CFEDMN C#CCCCC(=O)N(C)[C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000192365121 382707784 /nfs/dbraw/zinc/70/77/84/382707784.db2.gz MSXBSKSPUGEJOC-SFHVURJKSA-N 0 1 298.430 2.913 20 30 CFEDMN C=C(C)CN(CC)C(=O)[C@H](C)N[C@H](C)c1cccnc1 ZINC000192613045 382710664 /nfs/dbraw/zinc/71/06/64/382710664.db2.gz ZIJDBNVMFKNYBJ-KGLIPLIRSA-N 0 1 275.396 2.545 20 30 CFEDMN C=CCNC(=O)[C@H](C)SCC[N@@H+](C)Cc1ccccc1 ZINC000193637516 382721912 /nfs/dbraw/zinc/72/19/12/382721912.db2.gz HZJUXRRCHHCOAP-AWEZNQCLSA-N 0 1 292.448 2.542 20 30 CFEDMN C=CCN1CC[C@H]([N@H+]2CCC[C@H]2CCc2ccccc2)C1=O ZINC000337136236 382766053 /nfs/dbraw/zinc/76/60/53/382766053.db2.gz NALLVBKZEGSGDW-ROUUACIJSA-N 0 1 298.430 2.871 20 30 CFEDMN C=CCN1CC[C@H](N2CCc3sccc3[C@H]2CC)C1=O ZINC000337138250 382766513 /nfs/dbraw/zinc/76/65/13/382766513.db2.gz OVGRCSFYEWYXLG-KGLIPLIRSA-N 0 1 290.432 2.844 20 30 CFEDMN O[C@@H]1CCC[C@H]1[C@@H]1CCC[N@H+]1CC#Cc1ccccc1 ZINC000228486204 382847096 /nfs/dbraw/zinc/84/70/96/382847096.db2.gz JJNLNOPTCMETGD-OKZBNKHCSA-N 0 1 269.388 2.664 20 30 CFEDMN CN(CCC1CC1)Cc1ccc(C#N)cc1[N+](=O)[O-] ZINC000576639969 382830824 /nfs/dbraw/zinc/83/08/24/382830824.db2.gz MORDLXKOCKIYFE-UHFFFAOYSA-N 0 1 259.309 2.698 20 30 CFEDMN N#Cc1ccc(CN2CC[C@]3(O)CCCC[C@H]3C2)c(F)c1 ZINC000227361050 382836797 /nfs/dbraw/zinc/83/67/97/382836797.db2.gz ZTWDTWGVISTJJF-DOTOQJQBSA-N 0 1 288.366 2.824 20 30 CFEDMN C[C@H]1C[N@@H+](C)CCN1c1ccc(C#N)c(C(F)(F)F)c1 ZINC000227537864 382837704 /nfs/dbraw/zinc/83/77/04/382837704.db2.gz GBTWZAMMOYRZMG-JTQLQIEISA-N 0 1 283.297 2.717 20 30 CFEDMN C[C@H]1CN(C)CCN1c1ccc(C#N)c(C(F)(F)F)c1 ZINC000227537864 382837705 /nfs/dbraw/zinc/83/77/05/382837705.db2.gz GBTWZAMMOYRZMG-JTQLQIEISA-N 0 1 283.297 2.717 20 30 CFEDMN C=CCCc1ccccc1NC(=O)[C@H]1CCCN1C ZINC000337570201 382843787 /nfs/dbraw/zinc/84/37/87/382843787.db2.gz YPLKOSGSJZVVIY-OAHLLOKOSA-N 0 1 258.365 2.838 20 30 CFEDMN CC1(C)CC[N@@H+](C[C@H](O)c2ccc(C#N)cc2)CCS1 ZINC000228088480 382844844 /nfs/dbraw/zinc/84/48/44/382844844.db2.gz UZDSSHCGJBZGSU-HNNXBMFYSA-N 0 1 290.432 2.809 20 30 CFEDMN CN(CCC1CC1)Cc1nnc(-c2cccc(C#N)c2)o1 ZINC000441265644 382904204 /nfs/dbraw/zinc/90/42/04/382904204.db2.gz SFADLHNEEOWHET-UHFFFAOYSA-N 0 1 282.347 2.840 20 30 CFEDMN C=CCCCN1CCN(c2ncc(CC)s2)CC1 ZINC000441342811 382907814 /nfs/dbraw/zinc/90/78/14/382907814.db2.gz FCWSCGXEJCPUOB-UHFFFAOYSA-N 0 1 265.426 2.794 20 30 CFEDMN N#Cc1csc(CN[C@]2(CO)CCCc3ccccc32)c1 ZINC000441351478 382909100 /nfs/dbraw/zinc/90/91/00/382909100.db2.gz JDEVAPTZQGYCNU-KRWDZBQOSA-N 0 1 298.411 2.933 20 30 CFEDMN N#Cc1ccc(CN2CCCC3(CC3)C2)c([N+](=O)[O-])c1 ZINC000578016889 382882116 /nfs/dbraw/zinc/88/21/16/382882116.db2.gz OCVGXGHOYZPWMH-UHFFFAOYSA-N 0 1 271.320 2.842 20 30 CFEDMN COc1cc(CNCc2ccoc2C)ccc1C#N ZINC000440804866 382884122 /nfs/dbraw/zinc/88/41/22/382884122.db2.gz WQIAAFFOOAEILZ-UHFFFAOYSA-N 0 1 256.305 2.758 20 30 CFEDMN CCCCOC1CCN(Cc2ccc(C#N)cn2)CC1 ZINC000578080244 382889489 /nfs/dbraw/zinc/88/94/89/382889489.db2.gz QTYDDKJFMXYOPQ-UHFFFAOYSA-N 0 1 273.380 2.734 20 30 CFEDMN C=C(C)CN1Cc2ccccc2[C@@H](C(=O)OCC)C1 ZINC000441131717 382897516 /nfs/dbraw/zinc/89/75/16/382897516.db2.gz ZNMUFTMPTMWKFG-HNNXBMFYSA-N 0 1 259.349 2.725 20 30 CFEDMN C[C@H](NC(=O)OC(C)(C)C)[C@@H]1CCN(CC2(C#N)CC2)C1 ZINC000494955140 382945473 /nfs/dbraw/zinc/94/54/73/382945473.db2.gz RMIAYKWPIWUMQR-QWHCGFSZSA-N 0 1 293.411 2.525 20 30 CFEDMN CC[C@H](NCc1ccc(C#N)s1)c1cnn(C)c1 ZINC000421869008 382955475 /nfs/dbraw/zinc/95/54/75/382955475.db2.gz DIWACDQRQBSAOT-ZDUSSCGKSA-N 0 1 260.366 2.594 20 30 CFEDMN N#C[C@@H]1CC[C@@H](NCc2cccnc2OCC(F)F)C1 ZINC000442820973 382958854 /nfs/dbraw/zinc/95/88/54/382958854.db2.gz CPUVDSVNWNZRBR-ZYHUDNBSSA-N 0 1 281.306 2.507 20 30 CFEDMN CN(CCN(C)C(=O)OC(C)(C)C)CCC(C)(C)C#N ZINC000494524225 382914806 /nfs/dbraw/zinc/91/48/06/382914806.db2.gz PLDYTHCINLUMMC-UHFFFAOYSA-N 0 1 283.416 2.725 20 30 CFEDMN Cc1csc(C(C#N)C(=O)c2cccc3nccnc32)n1 ZINC000543580557 382971846 /nfs/dbraw/zinc/97/18/46/382971846.db2.gz RNURHDVOVMIXJJ-NSHDSACASA-N 0 1 294.339 2.885 20 30 CFEDMN N#CCC1CCN(Cc2cccc3c2OCCCO3)CC1 ZINC000543779875 382973913 /nfs/dbraw/zinc/97/39/13/382973913.db2.gz JAXUSIVCKLAYJZ-UHFFFAOYSA-N 0 1 286.375 2.974 20 30 CFEDMN CCN(CCC#N)C[C@@]1(C)CCN(C(=O)OC(C)(C)C)C1 ZINC000495417535 382987068 /nfs/dbraw/zinc/98/70/68/382987068.db2.gz ALXSPUNHFBAVQY-MRXNPFEDSA-N 0 1 295.427 2.869 20 30 CFEDMN C[C@H](NCCOc1ccccc1C#N)c1ccncc1F ZINC000338365747 383006877 /nfs/dbraw/zinc/00/68/77/383006877.db2.gz FGVVCKIPGRUUSW-LBPRGKRZSA-N 0 1 285.322 2.822 20 30 CFEDMN C=CCCCC(=O)N=c1cc(-c2ccc(C)o2)[nH][nH]1 ZINC000447800467 383008808 /nfs/dbraw/zinc/00/88/08/383008808.db2.gz SVHZHMRZMBHEFK-UHFFFAOYSA-N 0 1 259.309 2.695 20 30 CFEDMN C=C(C)[C@@H](NC[C@@H]1CN(C)C(=O)O1)c1ccc(F)c(F)c1 ZINC000495660541 383009000 /nfs/dbraw/zinc/00/90/00/383009000.db2.gz BPEQJEJPLVGCBI-BXUZGUMPSA-N 0 1 296.317 2.622 20 30 CFEDMN CC(C)(C)[C@H]1CN(CCOc2ccc(C#N)cc2)CCO1 ZINC000447835394 383015358 /nfs/dbraw/zinc/01/53/58/383015358.db2.gz TUOUJSBMIDNRDK-MRXNPFEDSA-N 0 1 288.391 2.684 20 30 CFEDMN CC(C)(C)[C@H]1CCN(CC#Cc2ccc(F)cc2)C[C@H]1O ZINC000541618067 382966086 /nfs/dbraw/zinc/96/60/86/382966086.db2.gz JPWZZQOOLCPDQB-DLBZAZTESA-N 0 1 289.394 2.906 20 30 CFEDMN N#CCC1CCN(Cc2cc(F)cc3c2OCOC3)CC1 ZINC000541954077 382967538 /nfs/dbraw/zinc/96/75/38/382967538.db2.gz CRYTZNKVJBUJGY-UHFFFAOYSA-N 0 1 290.338 2.818 20 30 CFEDMN C=CCN(CC=C)C(=O)CN1CCS[C@@H]2CCCC[C@H]21 ZINC000246123077 383062794 /nfs/dbraw/zinc/06/27/94/383062794.db2.gz LMZHXNGGNJSICS-HUUCEWRRSA-N 0 1 294.464 2.547 20 30 CFEDMN CC(C)(C)OC(=O)N[C@@H]1CCCN([C@@H]2CC[C@@H](C#N)C2)C1 ZINC000495794511 383028024 /nfs/dbraw/zinc/02/80/24/383028024.db2.gz MOHMPYKJVFECSE-MGPQQGTHSA-N 0 1 293.411 2.668 20 30 CFEDMN CN(CCCN(C)C(=O)OC(C)(C)C)CC(C)(C)C#N ZINC000496845971 383125804 /nfs/dbraw/zinc/12/58/04/383125804.db2.gz KGJJKZGVNSPKBH-UHFFFAOYSA-N 0 1 283.416 2.725 20 30 CFEDMN Cc1cccc2nc([C@@H](C#N)C(=O)Nc3cccnc3)[nH]c21 ZINC000505439093 383141970 /nfs/dbraw/zinc/14/19/70/383141970.db2.gz VBEYFWAFYVVCOC-GFCCVEGCSA-N 0 1 291.314 2.512 20 30 CFEDMN Cc1cccc2nc([C@@H](C#N)C(=O)Nc3nccs3)[nH]c21 ZINC000505422928 383142049 /nfs/dbraw/zinc/14/20/49/383142049.db2.gz RWHKJAMHRRVKSS-SECBINFHSA-N 0 1 297.343 2.574 20 30 CFEDMN CCCO[C@@H]1CCCN(C[C@@H](C#N)CCC#N)CC1 ZINC000246640724 383088284 /nfs/dbraw/zinc/08/82/84/383088284.db2.gz XIBFBBQUFNDISF-HUUCEWRRSA-N 0 1 263.385 2.711 20 30 CFEDMN C[C@@H]1CC[C@H](NCC2(C#N)CC2)CN1C(=O)OC(C)(C)C ZINC000496428833 383100994 /nfs/dbraw/zinc/10/09/94/383100994.db2.gz GWENXMKSEJXWNK-OLZOCXBDSA-N 0 1 293.411 2.668 20 30 CFEDMN COc1cccc(C2(CNC[C@@H](C#N)CCC#N)CC2)c1 ZINC000584502199 383108424 /nfs/dbraw/zinc/10/84/24/383108424.db2.gz OVBJEMNGIKQXGO-CQSZACIVSA-N 0 1 283.375 2.760 20 30 CFEDMN CC(=Cc1ccc(F)cc1C)c1nc(C)c(C#N)c(=O)[nH]1 ZINC000588611103 383119194 /nfs/dbraw/zinc/11/91/94/383119194.db2.gz DSPRREJZSDKJDG-UXBLZVDNSA-N 0 1 283.306 2.958 20 30 CFEDMN COC(=O)[C@@H](CC(C)C)N1CCC(CCC#N)CC1 ZINC000565478204 383179143 /nfs/dbraw/zinc/17/91/43/383179143.db2.gz RHSXRVJKUHDCNU-CQSZACIVSA-N 0 1 266.385 2.590 20 30 CFEDMN C=C(C)CN(Cc1cnn(C(C)C)c1)C[C@H](O)CC ZINC000339193992 383183503 /nfs/dbraw/zinc/18/35/03/383183503.db2.gz PHTFEZBUIKSNEX-OAHLLOKOSA-N 0 1 265.401 2.613 20 30 CFEDMN CO[C@H]1C[C@@H](N(C)CC#Cc2ccc(Cl)cc2)C1 ZINC000510140212 383150043 /nfs/dbraw/zinc/15/00/43/383150043.db2.gz QBUWWIWMYNYYGQ-GASCZTMLSA-N 0 1 263.768 2.801 20 30 CFEDMN C=CCCCCN1CCCC[C@H]1C(=O)NCC(F)F ZINC000556334968 383150688 /nfs/dbraw/zinc/15/06/88/383150688.db2.gz NXBVDZDUMJNXSS-LBPRGKRZSA-N 0 1 274.355 2.579 20 30 CFEDMN COc1cc(CCNC[C@@H](C#N)CCC#N)ccc1Cl ZINC000557265212 383153647 /nfs/dbraw/zinc/15/36/47/383153647.db2.gz VXGCDPDVFOCHMW-CYBMUJFWSA-N 0 1 291.782 2.924 20 30 CFEDMN N#C[C@@H]1CC[C@H](NCc2nccn2-c2ccccc2)C1 ZINC000562967444 383164212 /nfs/dbraw/zinc/16/42/12/383164212.db2.gz QVWQMNZFBMQORK-KGLIPLIRSA-N 0 1 266.348 2.654 20 30 CFEDMN N#C[C@@H]1CC[C@H](N[C@@H](CO)c2cccc(Cl)c2F)C1 ZINC000339157520 383170340 /nfs/dbraw/zinc/17/03/40/383170340.db2.gz ZOMZLSYXMORCPM-NRUUGDAUSA-N 0 1 282.746 2.794 20 30 CFEDMN CC(C)CN(C(=O)CN1CCC(CCC#N)CC1)C1CC1 ZINC000567381787 383269813 /nfs/dbraw/zinc/26/98/13/383269813.db2.gz KBSTZEOHAAZXPJ-UHFFFAOYSA-N 0 1 291.439 2.649 20 30 CFEDMN CCO[C@@H]1CCN(Cc2ccccc2C#N)C[C@H]1C ZINC000449497024 383334439 /nfs/dbraw/zinc/33/44/39/383334439.db2.gz JWSSBUJWTAAIHM-CZUORRHYSA-N 0 1 258.365 2.805 20 30 CFEDMN Cc1nc2cc(NC[C@H](C#N)CCC#N)ccc2n1C ZINC000567702046 383305131 /nfs/dbraw/zinc/30/51/31/383305131.db2.gz RXZCSRHYVAKECN-LBPRGKRZSA-N 0 1 267.336 2.737 20 30 CFEDMN COc1cncc(/C=C/CCN(C)C[C@H](C)C#N)c1 ZINC000567759879 383313611 /nfs/dbraw/zinc/31/36/11/383313611.db2.gz FFTSNZQNOGLULU-DIECRNLCSA-N 0 1 259.353 2.585 20 30 CFEDMN CO[C@@H]1CN(CC#Cc2ccc(F)cc2)CC[C@H]1C ZINC000251640705 383392338 /nfs/dbraw/zinc/39/23/38/383392338.db2.gz HEAWCIUNNQUWIG-CZUORRHYSA-N 0 1 261.340 2.534 20 30 CFEDMN C=CCNC(=O)CN[C@@H](C)c1cc2ccc(C)cc2o1 ZINC000426045090 383394561 /nfs/dbraw/zinc/39/45/61/383394561.db2.gz NJGREVPYWBUUAV-LBPRGKRZSA-N 0 1 272.348 2.694 20 30 CFEDMN C=CCCCS(=O)(=O)Nc1cc(-c2ccccc2)[nH]n1 ZINC000427753202 383415676 /nfs/dbraw/zinc/41/56/76/383415676.db2.gz OYRMXNKGCDEOFV-UHFFFAOYSA-N 0 1 291.376 2.785 20 30 CFEDMN CCN(C[C@H](C)C#N)C(=O)CN1CCC[C@H]1c1ccccc1 ZINC000249745975 383359908 /nfs/dbraw/zinc/35/99/08/383359908.db2.gz ZQHCJBCLJBWAGG-WBVHZDCISA-N 0 1 299.418 2.832 20 30 CFEDMN COc1ccc(CN(C)Cc2ccc[nH]2)cc1C#N ZINC000340195188 383378293 /nfs/dbraw/zinc/37/82/93/383378293.db2.gz IJSCNLULWIJXOZ-UHFFFAOYSA-N 0 1 255.321 2.527 20 30 CFEDMN C=C(C)CN(C)CC(=O)NCCc1ccc(C(C)C)cc1 ZINC000481221854 383424602 /nfs/dbraw/zinc/42/46/02/383424602.db2.gz CHODOYVJWWNJJI-UHFFFAOYSA-N 0 1 288.435 2.977 20 30 CFEDMN C[C@H]1CN(c2nccc(C#N)c2Cl)CCN(C2CC2)C1 ZINC000450548743 383456599 /nfs/dbraw/zinc/45/65/99/383456599.db2.gz TYBVMLOVPNJTMU-LLVKDONJSA-N 0 1 290.798 2.527 20 30 CFEDMN Cc1ccccc1[C@@H]1CCCN1CC(=O)NC1(C#N)CCC1 ZINC000527377098 383469408 /nfs/dbraw/zinc/46/94/08/383469408.db2.gz ISMDSHBRZAOERB-INIZCTEOSA-N 0 1 297.402 2.694 20 30 CFEDMN C[C@H]1CC[C@@](CO)(N(C)Cc2cccc(F)c2C#N)C1 ZINC000428443761 383474181 /nfs/dbraw/zinc/47/41/81/383474181.db2.gz AHTAUIFVRQBCAT-BLLLJJGKSA-N 0 1 276.355 2.680 20 30 CFEDMN C[C@H](CCO)N(Cc1ccccc1)CC1(C#N)CCC1 ZINC000450649243 383479594 /nfs/dbraw/zinc/47/95/94/383479594.db2.gz WUKHTFSOZRLWQY-OAHLLOKOSA-N 0 1 272.392 2.953 20 30 CFEDMN C=C(CC)CN(Cc1ccc(C(N)=O)cc1F)C1CC1 ZINC000428775947 383499500 /nfs/dbraw/zinc/49/95/00/383499500.db2.gz COGLSPKWJVQGAL-UHFFFAOYSA-N 0 1 276.355 2.855 20 30 CFEDMN COc1ccc(Br)cc1CNCCCC#N ZINC000258837462 383500320 /nfs/dbraw/zinc/50/03/20/383500320.db2.gz CAIMCVRKVZKYBM-UHFFFAOYSA-N 0 1 283.169 2.851 20 30 CFEDMN Cc1ccc(C)c(CN(C)[C@@H](C)C(=O)NC2(C#N)CCC2)c1 ZINC000429300255 383517628 /nfs/dbraw/zinc/51/76/28/383517628.db2.gz HTWDPWZDHSJJHP-HNNXBMFYSA-N 0 1 299.418 2.686 20 30 CFEDMN CO[C@H]1CCCC[C@@H]1NCc1ccc(F)cc1C#N ZINC000429509102 383538268 /nfs/dbraw/zinc/53/82/68/383538268.db2.gz FDZCQPKIQXMRJT-GJZGRUSLSA-N 0 1 262.328 2.745 20 30 CFEDMN COc1cncc(/C=C\CCN(C)CC(C)(C)C#N)c1 ZINC000569840130 383543152 /nfs/dbraw/zinc/54/31/52/383543152.db2.gz TXVVTXZHUNQCGK-ALCCZGGFSA-N 0 1 273.380 2.975 20 30 CFEDMN CC1(C)CN(C[C@@H](O)CC2(C#N)CC2)[C@H]1c1cccnc1 ZINC000528560569 383577083 /nfs/dbraw/zinc/57/70/83/383577083.db2.gz LLIKRHGNGPEPKZ-GJZGRUSLSA-N 0 1 285.391 2.519 20 30 CFEDMN CCC(C#N)(CC)C(=O)Nc1cccc(-c2nnc[nH]2)c1 ZINC000528570317 383579773 /nfs/dbraw/zinc/57/97/73/383579773.db2.gz VWNVIGHNVZFFLT-UHFFFAOYSA-N 0 1 283.335 2.740 20 30 CFEDMN CCn1nccc1CN(C)CCCOc1cccc(C#N)c1 ZINC000429723755 383563760 /nfs/dbraw/zinc/56/37/60/383563760.db2.gz LFAWGQBHBSCNDP-UHFFFAOYSA-N 0 1 298.390 2.676 20 30 CFEDMN C=C(C)COc1cccc(NC(=O)[C@@H](C)N(C)C)c1 ZINC000635483902 383567078 /nfs/dbraw/zinc/56/70/78/383567078.db2.gz XFUZLMVESDQZHL-GFCCVEGCSA-N 0 1 262.353 2.530 20 30 CFEDMN COc1ccc([C@H](NCc2ccnc(C#N)c2)C2CC2)cn1 ZINC000528848738 383653236 /nfs/dbraw/zinc/65/32/36/383653236.db2.gz CVIZRVVXWFFJGZ-QGZVFWFLSA-N 0 1 294.358 2.598 20 30 CFEDMN C=CCN(Cc1cccs1)C(=O)C[N@@H+]1CC[C@@H](C)C1 ZINC000570584475 383617133 /nfs/dbraw/zinc/61/71/33/383617133.db2.gz VCENBTBHJSTFLJ-CYBMUJFWSA-N 0 1 278.421 2.605 20 30 CFEDMN C=CCN(Cc1cccs1)C(=O)CN1CC[C@@H](C)C1 ZINC000570584475 383617138 /nfs/dbraw/zinc/61/71/38/383617138.db2.gz VCENBTBHJSTFLJ-CYBMUJFWSA-N 0 1 278.421 2.605 20 30 CFEDMN CCO[C@H]1CCN(Cc2ccc(C#N)c(F)c2)C[C@H]1C ZINC000451526338 383636267 /nfs/dbraw/zinc/63/62/67/383636267.db2.gz GSKQSMOCVTZNRY-WBMJQRKESA-N 0 1 276.355 2.944 20 30 CFEDMN COC[C@@H](CNCCC#N)c1ccc(Cl)cc1 ZINC000572236584 383764206 /nfs/dbraw/zinc/76/42/06/383764206.db2.gz ORJBBUABKBIIDA-GFCCVEGCSA-N 0 1 252.745 2.573 20 30 CFEDMN Cn1cc([C@@H](NCC2(CC#N)CC2)c2ccccc2)cn1 ZINC000572325313 383772793 /nfs/dbraw/zinc/77/27/93/383772793.db2.gz XSDSOHYWZAHSJD-INIZCTEOSA-N 0 1 280.375 2.793 20 30 CFEDMN C#CCOc1ccc(CNCc2c(C)nn(CC)c2C)cc1 ZINC000264933459 383804313 /nfs/dbraw/zinc/80/43/13/383804313.db2.gz BUJMSXDKQABUMB-UHFFFAOYSA-N 0 1 297.402 2.822 20 30 CFEDMN C=CCN1C(=O)N=NC1SCC12CCC(CC1)C2 ZINC000436477793 383821343 /nfs/dbraw/zinc/82/13/43/383821343.db2.gz ZSTWUBGZBPIYJF-UHFFFAOYSA-N 0 1 265.382 2.842 20 30 CFEDMN C=CCC(C)(C)C(=O)N1CCN(C)[C@@H](C(C)(C)C)C1 ZINC000640624517 383855788 /nfs/dbraw/zinc/85/57/88/383855788.db2.gz TUMVSQDILQEHIR-CYBMUJFWSA-N 0 1 266.429 2.777 20 30 CFEDMN C=CCC(C)(C)C(=O)N1CCN(C)[C@H](C(C)(C)C)C1 ZINC000640624518 383856074 /nfs/dbraw/zinc/85/60/74/383856074.db2.gz TUMVSQDILQEHIR-ZDUSSCGKSA-N 0 1 266.429 2.777 20 30 CFEDMN C[C@@H](CN1CCCCC1)Nc1ncc(C#N)cc1Cl ZINC000265098673 383831891 /nfs/dbraw/zinc/83/18/91/383831891.db2.gz DBQLSSXPMLQQPU-NSHDSACASA-N 0 1 278.787 2.893 20 30 CFEDMN C=CCN(CC=C)C(=O)[C@@H](C)N1CC[C@H]1Cc1ccccc1 ZINC000437828384 383911931 /nfs/dbraw/zinc/91/19/31/383911931.db2.gz LMHUAYGJBJKOEY-AEFFLSMTSA-N 0 1 298.430 2.893 20 30 CFEDMN C=CCC1(C(=O)N[C@H]2CCc3nc[nH]c3C2)CCCCC1 ZINC000573435935 383928966 /nfs/dbraw/zinc/92/89/66/383928966.db2.gz OWXNKCJGEWXPID-ZDUSSCGKSA-N 0 1 287.407 2.910 20 30 CFEDMN C[C@H](C#N)CN(C(=O)c1ccc(O)c(Cl)c1)C1CC1 ZINC000436739545 383887561 /nfs/dbraw/zinc/88/75/61/383887561.db2.gz OESNNCLHMHLWAG-SECBINFHSA-N 0 1 278.739 2.810 20 30 CFEDMN C[C@H]1CCCC[C@@H]1NC(=O)CN1CCC(CCC#N)CC1 ZINC000573917569 384012417 /nfs/dbraw/zinc/01/24/17/384012417.db2.gz YNGDTMXLIVRGTD-HOCLYGCPSA-N 0 1 291.439 2.697 20 30 CFEDMN CC(C)(C#N)CCCN1CCN(Cc2ccco2)CC1 ZINC000266889429 384253590 /nfs/dbraw/zinc/25/35/90/384253590.db2.gz DFSYNSDPQXFFND-UHFFFAOYSA-N 0 1 275.396 2.727 20 30 CFEDMN CC[C@@H](C)c1nc([C@@H](C)Nc2cccc(C#N)n2)n[nH]1 ZINC000277460986 384307385 /nfs/dbraw/zinc/30/73/85/384307385.db2.gz QNDVFDZJORJFED-NXEZZACHSA-N 0 1 270.340 2.758 20 30 CFEDMN C#CCCCCC(=O)N[C@H](C)c1n[nH]c([C@H](C)CC)n1 ZINC000277680723 384373528 /nfs/dbraw/zinc/37/35/28/384373528.db2.gz CBPRSBNXPFSILD-VXGBXAGGSA-N 0 1 276.384 2.689 20 30 CFEDMN C#C[C@H](C)N(C)Cc1cccc(SC(=O)N(C)C)c1 ZINC000491817913 262091742 /nfs/dbraw/zinc/09/17/42/262091742.db2.gz PIVAIBKFPKVGMJ-LBPRGKRZSA-N 0 1 276.405 2.914 20 30 CFEDMN CC#CC[C@@H](CO)NCc1ccc(-c2ccncc2)cc1F ZINC000641767692 384333468 /nfs/dbraw/zinc/33/34/68/384333468.db2.gz OIVRMANXSIRQER-KRWDZBQOSA-N 0 1 298.361 2.752 20 30 CFEDMN CC#CC[C@@H](CO)NCc1ccsc1C(F)(F)F ZINC000641768330 384334966 /nfs/dbraw/zinc/33/49/66/384334966.db2.gz ZMOLEMLSNOLHCR-JTQLQIEISA-N 0 1 277.311 2.631 20 30 CFEDMN C#CCN1CCC(c2nc(-c3cscc3C)no2)CC1 ZINC000277831695 384417546 /nfs/dbraw/zinc/41/75/46/384417546.db2.gz CALJRRBYYUQGMN-UHFFFAOYSA-N 0 1 287.388 2.919 20 30 CFEDMN CCC#C[C@@H](C)N1CCC(OC)(C(F)(F)F)CC1 ZINC000642715876 384455314 /nfs/dbraw/zinc/45/53/14/384455314.db2.gz RQBLXHHFUVZVSX-LLVKDONJSA-N 0 1 263.303 2.832 20 30 CFEDMN C=CCOc1ccccc1C[N@@H+]1CC[C@@H](C)[C@H](C(=O)[O-])C1 ZINC000574810474 335049093 /nfs/dbraw/zinc/04/90/93/335049093.db2.gz HMWKBBZKMAHLOK-UKRRQHHQSA-N 0 1 289.375 2.794 20 30 CFEDMN C=CCN1CC[C@@H](N(C)Cc2ccc(SC)cc2)C1=O ZINC000281143043 195121521 /nfs/dbraw/zinc/12/15/21/195121521.db2.gz DWTUXPZCDIMPDL-OAHLLOKOSA-N 0 1 290.432 2.627 20 30 CFEDMN C=CC[C@@H]1N(C(=O)c2cnc(C)[nH]2)CCCC1(C)C ZINC000278299496 384521148 /nfs/dbraw/zinc/52/11/48/384521148.db2.gz BTBNCAHOHUPUPN-ZDUSSCGKSA-N 0 1 261.369 2.925 20 30 CFEDMN C=CCN1CC[C@@H](N(C)CCc2ccc(Cl)cc2)C1=O ZINC000281146684 195123071 /nfs/dbraw/zinc/12/30/71/195123071.db2.gz BBVRJCHDNCMXGN-OAHLLOKOSA-N 0 1 292.810 2.601 20 30 CFEDMN C=CC[C@@H]1CCCN(C(=O)[C@H](N)c2cccc(OC)c2)C1 ZINC000638409910 384632333 /nfs/dbraw/zinc/63/23/33/384632333.db2.gz SNEIXLJTLYBSIK-CZUORRHYSA-N 0 1 288.391 2.510 20 30 CFEDMN COc1ccc(CNCc2occc2C)cc1C#N ZINC000269534945 384780863 /nfs/dbraw/zinc/78/08/63/384780863.db2.gz ZXLLLBKJSRTFKH-UHFFFAOYSA-N 0 1 256.305 2.758 20 30 CFEDMN C=C(C)[C@H]1OCC[C@H]1C(=O)Nc1ccc2c(C)[nH]nc2c1 ZINC000280039829 384861163 /nfs/dbraw/zinc/86/11/63/384861163.db2.gz ZJXPUMXQLMYFAF-UKRRQHHQSA-N 0 1 285.347 2.791 20 30 CFEDMN N#Cc1ccc(C(F)(F)F)nc1NCCN1CC=CCC1 ZINC000280332273 384979494 /nfs/dbraw/zinc/97/94/94/384979494.db2.gz UWEPYLOWXGRELM-UHFFFAOYSA-N 0 1 296.296 2.646 20 30 CFEDMN Cc1ncc(C(=O)N(Cc2ccc(C#N)cc2)C(C)C)[nH]1 ZINC000270148387 384993368 /nfs/dbraw/zinc/99/33/68/384993368.db2.gz WJCGGINRBBSQAR-UHFFFAOYSA-N 0 1 282.347 2.641 20 30 CFEDMN C=CCCC(C)(C)CNC(=O)c1conc1C(C)(C)N ZINC000638866761 385000682 /nfs/dbraw/zinc/00/06/82/385000682.db2.gz UVFGYYBDNBADDA-UHFFFAOYSA-N 0 1 279.384 2.591 20 30 CFEDMN C=C(C)C[C@H](C)C(=O)Nc1cnn(-c2ccncc2)c1 ZINC000680997283 542396372 /nfs/dbraw/zinc/39/63/72/542396372.db2.gz IDGUYGWZXYGBBN-LBPRGKRZSA-N 0 1 270.336 2.808 20 30 CFEDMN C#C[C@@H](NCc1cc(C(=O)OC)c(C)o1)C(C)(C)C ZINC000289222582 197267364 /nfs/dbraw/zinc/26/73/64/197267364.db2.gz ACMUCAIXBNOZFV-CYBMUJFWSA-N 0 1 263.337 2.512 20 30 CFEDMN C[C@@H](CNC(=O)c1ccc(CC#N)cc1)[N@H+]1CCC[C@H](C)C1 ZINC000270299545 385045562 /nfs/dbraw/zinc/04/55/62/385045562.db2.gz YURXPTDIKWBMCA-GJZGRUSLSA-N 0 1 299.418 2.603 20 30 CFEDMN C#CC[C@H](NC(=O)[C@H]1CCCc2[nH]ncc21)c1ccccc1 ZINC000270495178 385122069 /nfs/dbraw/zinc/12/20/69/385122069.db2.gz PQEYJSGHZYLHEU-HOCLYGCPSA-N 0 1 293.370 2.710 20 30 CFEDMN C=CCNC(=O)CN1CCC(c2cccc(Cl)c2)CC1 ZINC000280633495 385093513 /nfs/dbraw/zinc/09/35/13/385093513.db2.gz XPOCGKZFYAYXSM-UHFFFAOYSA-N 0 1 292.810 2.822 20 30 CFEDMN Cc1ccc(CN2CCN(c3cc(C#N)ccn3)CC2)s1 ZINC000271029830 385310149 /nfs/dbraw/zinc/31/01/49/385310149.db2.gz GFWACWWQICCTMB-UHFFFAOYSA-N 0 1 298.415 2.645 20 30 CFEDMN CC(C)(C)NC(=O)C(C#N)c1nc2ccccc2s1 ZINC000271203322 385374759 /nfs/dbraw/zinc/37/47/59/385374759.db2.gz ZRYYSGGMHJSNPP-VIFPVBQESA-N 0 1 273.361 2.818 20 30 CFEDMN CC(C)(C)NC(=O)C(C#N)c1nc2ccccc2s1 ZINC000271203321 385375164 /nfs/dbraw/zinc/37/51/64/385375164.db2.gz ZRYYSGGMHJSNPP-SECBINFHSA-N 0 1 273.361 2.818 20 30 CFEDMN C=CCCCCCN(C)C(=O)c1cc(F)cc2nn[nH]c21 ZINC000282954731 385415500 /nfs/dbraw/zinc/41/55/00/385415500.db2.gz ZKXLSRBKMNLUKX-UHFFFAOYSA-N 0 1 290.342 2.915 20 30 CFEDMN CC#CC(=O)Nc1ccc2nc(CCCC)[nH]c2c1 ZINC000283157947 385441245 /nfs/dbraw/zinc/44/12/45/385441245.db2.gz KBXASHTZDVXFAR-UHFFFAOYSA-N 0 1 255.321 2.867 20 30 CFEDMN CN(CCc1cccc([N+](=O)[O-])c1)Cc1ccc(C#N)o1 ZINC000283164366 385442427 /nfs/dbraw/zinc/44/24/27/385442427.db2.gz YNQFVSKHSXCCMT-UHFFFAOYSA-N 0 1 285.303 2.734 20 30 CFEDMN C#CCCN1CCN(Cc2ccc(Cl)nc2Cl)CC1 ZINC000283052058 385428798 /nfs/dbraw/zinc/42/87/98/385428798.db2.gz IYRXEYFJHDVCQY-UHFFFAOYSA-N 0 1 298.217 2.529 20 30 CFEDMN CN(Cc1cc(C#N)ccc1F)C[C@H]1CCCC[C@H]1O ZINC000272547718 385562298 /nfs/dbraw/zinc/56/22/98/385562298.db2.gz OFUXXASFRVVQJI-CZUORRHYSA-N 0 1 276.355 2.680 20 30 CFEDMN CO[C@@H]1[C@H]2C[C@H]3CN(Cc4cc(F)ccc4C#N)[C@H]1[C@H]3C2 ZINC000286540647 385644220 /nfs/dbraw/zinc/64/42/20/385644220.db2.gz OECCDXIKPVEPMW-MUMJOVGASA-N 0 1 286.350 2.553 20 30 CFEDMN CC(=O)c1ccc(C#N)c(N2CCN(CC(C)C)CC2)c1 ZINC000273227213 385672924 /nfs/dbraw/zinc/67/29/24/385672924.db2.gz QOJWILVSQJOXGV-UHFFFAOYSA-N 0 1 285.391 2.539 20 30 CFEDMN C#CCN(C(=O)c1cc(-c2ccc(C)cc2)[nH]n1)C1CC1 ZINC000274020330 385700836 /nfs/dbraw/zinc/70/08/36/385700836.db2.gz BPPUACRMDBLMSK-UHFFFAOYSA-N 0 1 279.343 2.623 20 30 CFEDMN CC#CCN[C@@H](CCO)c1ccc(Cl)c(F)c1 ZINC000639915727 385768922 /nfs/dbraw/zinc/76/89/22/385768922.db2.gz BCLNYJFKFNTBNW-ZDUSSCGKSA-N 0 1 255.720 2.516 20 30 CFEDMN CCc1nc(CNc2ccc(C#N)c(Cl)c2)n[nH]1 ZINC000274577828 385826598 /nfs/dbraw/zinc/82/65/98/385826598.db2.gz GUISGSMEIRVZGA-UHFFFAOYSA-N 0 1 261.716 2.504 20 30 CFEDMN C=CCN(CC1CCCCC1)C(=O)NCc1cn[nH]c1C ZINC000274663921 385844436 /nfs/dbraw/zinc/84/44/36/385844436.db2.gz WUKAIGVHKSXFMH-UHFFFAOYSA-N 0 1 290.411 2.996 20 30 CFEDMN C=CCN(CC=C)[C@H](CNC(=O)CCCC(C)=O)C(C)C ZINC000274662983 385844704 /nfs/dbraw/zinc/84/47/04/385844704.db2.gz HCBNORJOEVYCJV-MRXNPFEDSA-N 0 1 294.439 2.561 20 30 CFEDMN C=CCCCCNC(=O)N[C@H](C)c1n[nH]c(C(C)C)n1 ZINC000274682716 385849253 /nfs/dbraw/zinc/84/92/53/385849253.db2.gz RUOBPUJGURBVAI-LLVKDONJSA-N 0 1 279.388 2.645 20 30 CFEDMN C=C1CCN(Cc2ccc3c(c2)CCC(=O)N3C)CC1 ZINC000274888228 385891488 /nfs/dbraw/zinc/89/14/88/385891488.db2.gz IPHGWAOPBQTEDH-UHFFFAOYSA-N 0 1 270.376 2.748 20 30 CFEDMN CC[C@@H]1CN(Cc2ccc(C#N)cc2OC)CCCO1 ZINC000281301088 195187769 /nfs/dbraw/zinc/18/77/69/195187769.db2.gz HNRQHRHLLUHMHT-OAHLLOKOSA-N 0 1 274.364 2.568 20 30 CFEDMN C=CCN1CC[C@@H](N[C@H](C)c2ccc(Cl)cc2)C1=O ZINC000281333983 195200368 /nfs/dbraw/zinc/20/03/68/195200368.db2.gz WBBCYJIATQCCSA-BXUZGUMPSA-N 0 1 278.783 2.778 20 30 CFEDMN C=CCN1CC[C@@H](N(C)Cc2ccc(C(F)F)cc2)C1=O ZINC000281409561 195229823 /nfs/dbraw/zinc/22/98/23/195229823.db2.gz YDAOTUZQAFEELW-CQSZACIVSA-N 0 1 294.345 2.843 20 30 CFEDMN C=CCN1CC[C@H](N2CCC(c3ccsc3)CC2)C1=O ZINC000281397249 195224728 /nfs/dbraw/zinc/22/47/28/195224728.db2.gz QENXOZMHVLMTEF-HNNXBMFYSA-N 0 1 290.432 2.714 20 30 CFEDMN C=CCN1CC[C@H](N(C)[C@@H](C)c2cccc(C)c2)C1=O ZINC000281491223 195262301 /nfs/dbraw/zinc/26/23/01/195262301.db2.gz XIXKDFUQRKKYTI-HOCLYGCPSA-N 0 1 272.392 2.775 20 30 CFEDMN CSCCCN(C)[C@@H](C)C(=O)Nc1cccc(C#N)c1 ZINC000281501811 195266799 /nfs/dbraw/zinc/26/67/99/195266799.db2.gz UJVAKRHCTYFDLS-LBPRGKRZSA-N 0 1 291.420 2.570 20 30 CFEDMN CN(C)[C@H](CNC(=O)CCCC#N)c1ccc(Cl)cc1 ZINC000575037645 335057568 /nfs/dbraw/zinc/05/75/68/335057568.db2.gz SBEWQCRZUDQGBL-CQSZACIVSA-N 0 1 293.798 2.753 20 30 CFEDMN N#CCCCOc1cccc(NC(=O)c2ncccc2O)c1 ZINC000171262426 335061099 /nfs/dbraw/zinc/06/10/99/335061099.db2.gz CWBBVJLRTPERLE-UHFFFAOYSA-N 0 1 297.314 2.722 20 30 CFEDMN CO[C@@H]1CCN(Cc2ccc(C#N)cc2F)[C@H](C)C1 ZINC000281617283 195310454 /nfs/dbraw/zinc/31/04/54/195310454.db2.gz HCVREGYMGUVCPH-BXUZGUMPSA-N 0 1 262.328 2.697 20 30 CFEDMN CO[C@H]1CCN(Cc2ccc(C#N)cc2F)[C@@H](C)C1 ZINC000281617290 195310931 /nfs/dbraw/zinc/31/09/31/195310931.db2.gz HCVREGYMGUVCPH-FZMZJTMJSA-N 0 1 262.328 2.697 20 30 CFEDMN CO[C@@H]1CCN(Cc2cc(C#N)ccc2F)[C@H](C)C1 ZINC000281650718 195323179 /nfs/dbraw/zinc/32/31/79/195323179.db2.gz JXQUJFMEXZCVBF-BXUZGUMPSA-N 0 1 262.328 2.697 20 30 CFEDMN C=CC[C@H](CC)NC(=O)Cc1[nH]nc2ccccc21 ZINC000281702880 195344185 /nfs/dbraw/zinc/34/41/85/195344185.db2.gz MDJKAMLFOHHYSO-NSHDSACASA-N 0 1 257.337 2.576 20 30 CFEDMN C[C@@H](NCC#Cc1ccccc1Cl)c1cnn(C)c1 ZINC000348308010 533342060 /nfs/dbraw/zinc/34/20/60/533342060.db2.gz NORXIOJWYHTCKS-GFCCVEGCSA-N 0 1 273.767 2.776 20 30 CFEDMN N#Cc1ccc(S(=O)(=O)Nc2cccc3[nH]ccc32)cc1 ZINC000357162415 130406975 /nfs/dbraw/zinc/40/69/75/130406975.db2.gz ZXWVCAZHBRJCGX-UHFFFAOYSA-N 0 1 297.339 2.840 20 30 CFEDMN CC[C@H](C)N1CCN(C(=O)Nc2cccc(C#N)c2)CC1 ZINC000243822953 131082602 /nfs/dbraw/zinc/08/26/02/131082602.db2.gz QWHUCYJZCKVKJZ-ZDUSSCGKSA-N 0 1 286.379 2.506 20 30 CFEDMN C[C@H]1CCN(CC(=O)Nc2cc(Cl)ccc2C#N)[C@H]1C ZINC000248329082 131113412 /nfs/dbraw/zinc/11/34/12/131113412.db2.gz DBBUKGXUZSTCEK-QWRGUYRKSA-N 0 1 291.782 2.880 20 30 CFEDMN CCCN(Cc1ccc(C#N)cc1)C(=O)c1cnc(C)[nH]1 ZINC000264690530 131488088 /nfs/dbraw/zinc/48/80/88/131488088.db2.gz AASSBHWOFVUTLJ-UHFFFAOYSA-N 0 1 282.347 2.642 20 30 CFEDMN Cc1cccc(CN2CCN(c3cccc(C#N)n3)CC2)c1 ZINC000265588234 131607718 /nfs/dbraw/zinc/60/77/18/131607718.db2.gz XPNXOUHJAKCAJC-UHFFFAOYSA-N 0 1 292.386 2.584 20 30 CFEDMN Cc1cc(C[C@@H](C)Nc2c(C#N)nnc3ccccc32)[nH]n1 ZINC000269002148 132098708 /nfs/dbraw/zinc/09/87/08/132098708.db2.gz YJCLAJQIFABACZ-SNVBAGLBSA-N 0 1 292.346 2.576 20 30 CFEDMN C=C[C@H]1CCCCN1Cc1cccc(NS(C)(=O)=O)c1 ZINC000683843647 542733573 /nfs/dbraw/zinc/73/35/73/542733573.db2.gz ITHBHJAZETWFIX-HNNXBMFYSA-N 0 1 294.420 2.599 20 30 CFEDMN C[C@](C#N)(NC(=O)CN1CCC[C@H](C2CC2)C1)C1CC1 ZINC000329508949 393540247 /nfs/dbraw/zinc/54/02/47/393540247.db2.gz BCEIPBZEHRIXBB-XJKSGUPXSA-N 0 1 275.396 2.757 20 30 CFEDMN CC(C)[C@@H]1CCCC[C@H]1NC(=O)N[C@@H](C)c1nnc[nH]1 ZINC000329534689 393541877 /nfs/dbraw/zinc/54/18/77/393541877.db2.gz KYMJPIPETGBQIF-SDDRHHMPSA-N 0 1 279.388 2.584 20 30 CFEDMN C[C@H]1C[C@@H](C(=O)Nc2nc(C3CCC3)n[nH]2)CCC1=O ZINC000329545664 393543044 /nfs/dbraw/zinc/54/30/44/393543044.db2.gz ZQFRQMCHTRNGSC-WPRPVWTQSA-N 0 1 276.340 2.666 20 30 CFEDMN C[C@H]1C[C@@H](C(=O)Nc2n[nH]c(C3CCC3)n2)CCC1=O ZINC000329545664 393543049 /nfs/dbraw/zinc/54/30/49/393543049.db2.gz ZQFRQMCHTRNGSC-WPRPVWTQSA-N 0 1 276.340 2.666 20 30 CFEDMN Cc1cc2c[nH]nc2c(C(=O)N2CCC(C)(C#N)CC2)c1 ZINC000329482287 393537379 /nfs/dbraw/zinc/53/73/79/393537379.db2.gz DRCFRLQJBMIRRS-UHFFFAOYSA-N 0 1 282.347 2.637 20 30 CFEDMN Cc1cccn2cc(CN[C@H]3CCC[C@H](C#N)C3)nc12 ZINC000185885865 393538302 /nfs/dbraw/zinc/53/83/02/393538302.db2.gz WZFDIQRYHRZQCC-KBPBESRZSA-N 0 1 268.364 2.815 20 30 CFEDMN C=C(Cl)CNCc1cn(C)nc1-c1ccc(C#N)cc1 ZINC000378483088 393547034 /nfs/dbraw/zinc/54/70/34/393547034.db2.gz OEFHJZBWSQMLMC-UHFFFAOYSA-N 0 1 286.766 2.801 20 30 CFEDMN Cc1c(NC(=O)c2ccc(C#N)c(O)c2)cccc1[N+](=O)[O-] ZINC000188217452 393562706 /nfs/dbraw/zinc/56/27/06/393562706.db2.gz WBSVYJKNXWLRJM-UHFFFAOYSA-N 0 1 297.270 2.733 20 30 CFEDMN C=CCCOCCNCc1nccn1-c1ccccc1 ZINC000191488803 393596952 /nfs/dbraw/zinc/59/69/52/393596952.db2.gz CTOHZBWRQHSLLN-UHFFFAOYSA-N 0 1 271.364 2.555 20 30 CFEDMN CC(C)c1[nH]ncc1C(=O)Nc1cccc(C#N)c1 ZINC000192920634 393637501 /nfs/dbraw/zinc/63/75/01/393637501.db2.gz XSFILBDSVHRIDD-UHFFFAOYSA-N 0 1 254.293 2.657 20 30 CFEDMN C=CCN(C)CC[N@@H+](CC)Cc1ccc(CC)cn1 ZINC000411649114 393734574 /nfs/dbraw/zinc/73/45/74/393734574.db2.gz QSQPSXPJNPTUNP-UHFFFAOYSA-N 0 1 261.413 2.584 20 30 CFEDMN COc1cccc(C=C(C)c2nc(C)c(C#N)c(=O)[nH]2)c1F ZINC000195503782 393741971 /nfs/dbraw/zinc/74/19/71/393741971.db2.gz PABBTTNDJLYYCX-VQHVLOKHSA-N 0 1 299.305 2.658 20 30 CFEDMN CO[C@@H]1C[C@H](c2ccccc2)CC[C@@H]1NCCC#N ZINC000411728071 393742866 /nfs/dbraw/zinc/74/28/66/393742866.db2.gz KJMRLEQHTZXPRP-OWCLPIDISA-N 0 1 258.365 2.841 20 30 CFEDMN C[C@@H]1[C@@H](CO)CCCN1CC#Cc1cccc(Cl)c1 ZINC000412098235 393762060 /nfs/dbraw/zinc/76/20/60/393762060.db2.gz VPCBJYRQECECAG-UKRRQHHQSA-N 0 1 277.795 2.784 20 30 CFEDMN C[C@H]1[C@H](CO)CCCN1CC#Cc1cccc(Cl)c1 ZINC000412098238 393762117 /nfs/dbraw/zinc/76/21/17/393762117.db2.gz VPCBJYRQECECAG-ZFWWWQNUSA-N 0 1 277.795 2.784 20 30 CFEDMN O[C@@H]1C[C@@H](c2ccccc2)N(CC#Cc2ccc(F)cc2)C1 ZINC000411951098 393758729 /nfs/dbraw/zinc/75/87/29/393758729.db2.gz RPJGZCOMLYIDJG-MOPGFXCFSA-N 0 1 295.357 2.985 20 30 CFEDMN COc1ccc(CN2C[C@@H](C)S[C@@H](C)C2)cc1C#N ZINC000087833431 393760264 /nfs/dbraw/zinc/76/02/64/393760264.db2.gz QUWMNVZRRVAVJL-TXEJJXNPSA-N 0 1 276.405 2.893 20 30 CFEDMN Cc1csc(C(C#N)C(=O)c2cncnc2C(C)C)n1 ZINC000338191559 393776760 /nfs/dbraw/zinc/77/67/60/393776760.db2.gz SVTUMORABXMSAU-SNVBAGLBSA-N 0 1 286.360 2.855 20 30 CFEDMN Cc1nc2c(cccc2C(=O)N(C[C@@H](C)C#N)C2CC2)[nH]1 ZINC000338553558 393789580 /nfs/dbraw/zinc/78/95/80/393789580.db2.gz XLRJANJJAVLJRM-JTQLQIEISA-N 0 1 282.347 2.636 20 30 CFEDMN C=CCN1C(=O)N=NC1SCc1ccc(COC)cc1 ZINC000338555035 393790870 /nfs/dbraw/zinc/79/08/70/393790870.db2.gz RCWVVDVWGAMUMR-UHFFFAOYSA-N 0 1 291.376 2.608 20 30 CFEDMN C=CC[C@@H](Cc1ccccc1)NC(=O)[C@H]1CCCN1C1CC1 ZINC000413992101 393793644 /nfs/dbraw/zinc/79/36/44/393793644.db2.gz XEKAJOYUGBFEAZ-FUHWJXTLSA-N 0 1 298.430 2.917 20 30 CFEDMN COc1cccc(CN(CCC#N)CC2CC2)c1O ZINC000093091486 393794818 /nfs/dbraw/zinc/79/48/18/393794818.db2.gz VWBJLEOWGCFGGK-UHFFFAOYSA-N 0 1 260.337 2.526 20 30 CFEDMN C=CCOCCN1CCN(c2ccc(Cl)cc2)CC1 ZINC000338931898 393805546 /nfs/dbraw/zinc/80/55/46/393805546.db2.gz UOBMJCCQUXPUKO-UHFFFAOYSA-N 0 1 280.799 2.665 20 30 CFEDMN C=CCOCCNC(C)(C)c1nc(C)c(C)s1 ZINC000339040347 393812552 /nfs/dbraw/zinc/81/25/52/393812552.db2.gz KZYGYCSSAFAINY-UHFFFAOYSA-N 0 1 254.399 2.787 20 30 CFEDMN CCC[C@H](N[C@@H]1CC[C@H](C#N)C1)c1nnc2ccccn21 ZINC000339084478 393816405 /nfs/dbraw/zinc/81/64/05/393816405.db2.gz XNSJMJOOEUTSKG-MJBXVCDLSA-N 0 1 283.379 2.852 20 30 CFEDMN C=CCOCCN[C@@H](c1ncc(C)s1)C1CC1 ZINC000339085156 393816607 /nfs/dbraw/zinc/81/66/07/393816607.db2.gz QCGRQVUNKDDOLH-GFCCVEGCSA-N 0 1 252.383 2.695 20 30 CFEDMN C=CCOCCNC(C)(C)c1nc2ccccc2n1C ZINC000339093150 393817482 /nfs/dbraw/zinc/81/74/82/393817482.db2.gz AIUGAFMFHDZTMP-UHFFFAOYSA-N 0 1 273.380 2.601 20 30 CFEDMN C=CCCOCCCCC(=O)N[C@@H]1CCCc2cn[nH]c21 ZINC000342967362 393875738 /nfs/dbraw/zinc/87/57/38/393875738.db2.gz UVQAAVUJVQBNCR-CQSZACIVSA-N 0 1 291.395 2.666 20 30 CFEDMN CC(C)[C@H]1CCN(Cc2c(C#N)cccc2[N+](=O)[O-])C1 ZINC000459342097 393881805 /nfs/dbraw/zinc/88/18/05/393881805.db2.gz KJMYYZLAJDEMFU-ZDUSSCGKSA-N 0 1 273.336 2.944 20 30 CFEDMN CC1(C)CN(CC2(C#N)CC2)CCN1Cc1ccccc1 ZINC000343313945 393883859 /nfs/dbraw/zinc/88/38/59/393883859.db2.gz KZMYMVQYCQKBMC-UHFFFAOYSA-N 0 1 283.419 2.887 20 30 CFEDMN C=CC[C@@H](C(=O)N1CCN(CCC)CC1)c1ccccc1 ZINC000427079949 393892368 /nfs/dbraw/zinc/89/23/68/393892368.db2.gz DHHUFAMGZPWMPW-QGZVFWFLSA-N 0 1 286.419 2.901 20 30 CFEDMN C=C(C)CN(CC)CC(=O)N(C1CC1)C1CCCC1 ZINC000114712544 393901045 /nfs/dbraw/zinc/90/10/45/393901045.db2.gz FPMVKBLIGGHEFW-UHFFFAOYSA-N 0 1 264.413 2.818 20 30 CFEDMN COCCN(Cc1ccc(F)cc1C#N)CC(C)C ZINC000103139940 393854422 /nfs/dbraw/zinc/85/44/22/393854422.db2.gz WLZHFIDDGGWVEI-UHFFFAOYSA-N 0 1 264.344 2.802 20 30 CFEDMN CCc1ccc(CN(C)[C@@H](C)C(=O)NC2(C#N)CCC2)cc1 ZINC000345770922 393917114 /nfs/dbraw/zinc/91/71/14/393917114.db2.gz MLTCNWYTYUOGAQ-AWEZNQCLSA-N 0 1 299.418 2.632 20 30 CFEDMN COC(=O)CC1(NCc2cccc(F)c2C#N)CCCC1 ZINC000428941470 393923182 /nfs/dbraw/zinc/92/31/82/393923182.db2.gz JCJVODDPMIKRQW-UHFFFAOYSA-N 0 1 290.338 2.663 20 30 CFEDMN CN(CCOCC(F)(F)C(F)F)CCC(F)(F)F ZINC000346273068 393925321 /nfs/dbraw/zinc/92/53/21/393925321.db2.gz IHKRSRMPGHBGLN-UHFFFAOYSA-N 0 1 285.203 2.788 20 30 CFEDMN CCC[C@]1(NCc2cccc(F)c2C#N)CCOC1 ZINC000428984630 393929697 /nfs/dbraw/zinc/92/96/97/393929697.db2.gz SMCJQGFOJFJUPQ-HNNXBMFYSA-N 0 1 262.328 2.746 20 30 CFEDMN C=C(C)C[N@H+](CC)[C@H]1CCN(c2ccc(C#N)cc2)C1=O ZINC000126070465 394019631 /nfs/dbraw/zinc/01/96/31/394019631.db2.gz DCTHAAZASROOCK-INIZCTEOSA-N 0 1 283.375 2.562 20 30 CFEDMN C=C(C)CN(CC)[C@H]1CCN(c2ccc(C#N)cc2)C1=O ZINC000126070465 394019633 /nfs/dbraw/zinc/01/96/33/394019633.db2.gz DCTHAAZASROOCK-INIZCTEOSA-N 0 1 283.375 2.562 20 30 CFEDMN C=CCC[C@@H](O)CN1CCO[C@@H](C2CCCCC2)C1 ZINC000349252892 393965734 /nfs/dbraw/zinc/96/57/34/393965734.db2.gz VJDOXSLEQHKGAK-HZPDHXFCSA-N 0 1 267.413 2.595 20 30 CFEDMN C[C@H](N[C@H]1CC[C@H](C#N)C1)c1nc2c(s1)CCC2 ZINC000349312754 393967532 /nfs/dbraw/zinc/96/75/32/393967532.db2.gz MZXKDCXJYGXIMD-DCAQKATOSA-N 0 1 261.394 2.975 20 30 CFEDMN CC(=O)c1ccc(C#N)cc1N1CCN(C)[C@@H](C(C)C)C1 ZINC000487131297 393985079 /nfs/dbraw/zinc/98/50/79/393985079.db2.gz BAGZYPGTHVSPLQ-QGZVFWFLSA-N 0 1 285.391 2.537 20 30 CFEDMN CSCC[C@@H](C)N(C)CC(=O)Nc1ccc(C#N)cc1 ZINC000126361507 394026299 /nfs/dbraw/zinc/02/62/99/394026299.db2.gz QBDVKJGBRRPSPX-GFCCVEGCSA-N 0 1 291.420 2.570 20 30 CFEDMN C=C(C)CCN1CCN(CC(F)(F)F)CC1(C)C ZINC000351767486 394007382 /nfs/dbraw/zinc/00/73/82/394007382.db2.gz VRTWKQNJJILJJS-UHFFFAOYSA-N 0 1 264.335 2.911 20 30 CFEDMN C=C(C)CN(CC)C(=O)[C@H](C)N1CCC(F)(F)[C@@H](C)C1 ZINC000352037472 394010560 /nfs/dbraw/zinc/01/05/60/394010560.db2.gz VPZXTBBPUXBYOO-STQMWFEESA-N 0 1 288.382 2.777 20 30 CFEDMN CC1(C)CN(CC#Cc2ccc(C(F)(F)F)cc2)C[C@H]1O ZINC000279844079 394068847 /nfs/dbraw/zinc/06/88/47/394068847.db2.gz RRPHJJUXTJMUHQ-CQSZACIVSA-N 0 1 297.320 2.760 20 30 CFEDMN C=CCN1CC[C@@H](N2CCCCC[C@@H]2c2ccco2)C1=O ZINC000282136600 394121581 /nfs/dbraw/zinc/12/15/81/394121581.db2.gz ZFVANIWOGGDJNX-HUUCEWRRSA-N 0 1 288.391 2.984 20 30 CFEDMN C=C(C)Cn1c(CCCC)n[n-]c1=[NH+]c1c(C)n[nH]c1C ZINC000359102961 394124123 /nfs/dbraw/zinc/12/41/23/394124123.db2.gz MGGSFWPATVUHNZ-UHFFFAOYSA-N 0 1 288.399 2.702 20 30 CFEDMN Fc1ccc(C#CCN2CCC[C@@H]2[C@H]2CCCO2)cc1 ZINC000284676633 394138048 /nfs/dbraw/zinc/13/80/48/394138048.db2.gz HERHMKPDWVPTLU-IAGOWNOFSA-N 0 1 273.351 2.821 20 30 CFEDMN Fc1ccc(C#CCN2CCC[C@H]2[C@@H]2CCCO2)cc1 ZINC000284676637 394138750 /nfs/dbraw/zinc/13/87/50/394138750.db2.gz HERHMKPDWVPTLU-IRXDYDNUSA-N 0 1 273.351 2.821 20 30 CFEDMN CC[C@@](C)(C#N)C(=O)N[C@H]1CCCN(Cc2ccccc2)C1 ZINC000285320464 394140778 /nfs/dbraw/zinc/14/07/78/394140778.db2.gz XIELCMPSOPZRGG-WMZOPIPTSA-N 0 1 299.418 2.707 20 30 CFEDMN N#Cc1c(F)cccc1CN1CCC[C@H](CCO)CC1 ZINC000421021414 394161180 /nfs/dbraw/zinc/16/11/80/394161180.db2.gz SOSIPKKUKRDSJS-ZDUSSCGKSA-N 0 1 276.355 2.682 20 30 CFEDMN C=C(C)CN(CC)C(=O)CN[C@@H](C)c1ccncc1CC ZINC000361133640 394166767 /nfs/dbraw/zinc/16/67/67/394166767.db2.gz YQALNAIXVZLYIQ-AWEZNQCLSA-N 0 1 289.423 2.719 20 30 CFEDMN CCN(C)C(=O)CCN1CCC[C@H]1[C@H](C#N)c1ccccc1 ZINC000366581063 394245245 /nfs/dbraw/zinc/24/52/45/394245245.db2.gz WUKGCKWIZORSLX-SJORKVTESA-N 0 1 299.418 2.627 20 30 CFEDMN Cc1nc(NC[C@@H](c2ccco2)N(C)C)ccc1C#N ZINC000291641201 394251844 /nfs/dbraw/zinc/25/18/44/394251844.db2.gz MNBRNDYMXHSXKI-ZDUSSCGKSA-N 0 1 270.336 2.570 20 30 CFEDMN C=CCCCCCN(C)CC(=O)Nc1ccncc1 ZINC000150873105 394254812 /nfs/dbraw/zinc/25/48/12/394254812.db2.gz NCSMXRUCZUQLSJ-UHFFFAOYSA-N 0 1 261.369 2.698 20 30 CFEDMN C=CCCc1csc([C@@H]2CN3CCC[C@H]3CO2)n1 ZINC000362719255 394190464 /nfs/dbraw/zinc/19/04/64/394190464.db2.gz HVSYLZWOXAUYHF-STQMWFEESA-N 0 1 264.394 2.797 20 30 CFEDMN CCN(C)c1ccc(CNCc2ccc(C#N)s2)cn1 ZINC000421352401 394195575 /nfs/dbraw/zinc/19/55/75/394195575.db2.gz QOUAVEIRGFAYAE-UHFFFAOYSA-N 0 1 286.404 2.761 20 30 CFEDMN CCCn1cc(CNCc2ccc(C#N)s2)cn1 ZINC000421352487 394195630 /nfs/dbraw/zinc/19/56/30/394195630.db2.gz NWBXKPVRQFVCAU-UHFFFAOYSA-N 0 1 260.366 2.516 20 30 CFEDMN Fc1ccc(C#CCN2CCOC[C@@H](C3CCC3)C2)cc1 ZINC000292060659 394269945 /nfs/dbraw/zinc/26/99/45/394269945.db2.gz CMFGBFJSCJGARW-KRWDZBQOSA-N 0 1 287.378 2.926 20 30 CFEDMN C[C@H](c1ccccn1)N1CC[C@@H](Oc2ccc(C#N)cn2)C1 ZINC000292366768 394273046 /nfs/dbraw/zinc/27/30/46/394273046.db2.gz YJGZOYJXMDRPRQ-UKRRQHHQSA-N 0 1 294.358 2.563 20 30 CFEDMN CC(C)[C@]1(CO)CCCN(CC#Cc2ccc(F)cc2)C1 ZINC000293193642 394281597 /nfs/dbraw/zinc/28/15/97/394281597.db2.gz WPRNLSKBPRURLX-GOSISDBHSA-N 0 1 289.394 2.908 20 30 CFEDMN C#CC[N@@H+](C)CCCN[C@@H](c1ccco1)c1ccccc1 ZINC000294976204 394295982 /nfs/dbraw/zinc/29/59/82/394295982.db2.gz KHNPSGICGACLSH-GOSISDBHSA-N 0 1 282.387 2.914 20 30 CFEDMN CCc1nnc(SCc2ccc(C#N)cc2OC)[nH]1 ZINC000154943013 394306200 /nfs/dbraw/zinc/30/62/00/394306200.db2.gz SURRJBSCZSNZHP-UHFFFAOYSA-N 0 1 274.349 2.540 20 30 CFEDMN CCc1n[nH]c(SCc2ccc(C#N)cc2OC)n1 ZINC000154943013 394306206 /nfs/dbraw/zinc/30/62/06/394306206.db2.gz SURRJBSCZSNZHP-UHFFFAOYSA-N 0 1 274.349 2.540 20 30 CFEDMN N#Cc1ccc(C(=O)Nc2ccc3[nH]nnc3c2)cc1Cl ZINC000158797810 394360952 /nfs/dbraw/zinc/36/09/52/394360952.db2.gz QZORRESZIZIYFO-UHFFFAOYSA-N 0 1 297.705 2.735 20 30 CFEDMN CN(Cc1ccc(C#N)cc1OC(F)F)CC(C)(C)CO ZINC000451248130 394370641 /nfs/dbraw/zinc/37/06/41/394370641.db2.gz NLXXQCYISNZJDH-UHFFFAOYSA-N 0 1 298.333 2.610 20 30 CFEDMN Cc1sc(NC(=O)CN(C)[C@H](C)C2CC2)c(C#N)c1C ZINC000177267532 394383165 /nfs/dbraw/zinc/38/31/65/394383165.db2.gz UZKYWVDWLNKDPN-SNVBAGLBSA-N 0 1 291.420 2.905 20 30 CFEDMN CC(C)(C#N)c1ccccc1CSc1nc(N)cc(N)n1 ZINC000178376290 394387651 /nfs/dbraw/zinc/38/76/51/394387651.db2.gz ZOKXHBKTSVYDJE-UHFFFAOYSA-N 0 1 299.403 2.734 20 30 CFEDMN N#CCCN(Cc1ccc2nc[nH]c2c1)Cc1ccccn1 ZINC000537636365 394588058 /nfs/dbraw/zinc/58/80/58/394588058.db2.gz DCVDNLGSHRWBEA-UHFFFAOYSA-N 0 1 291.358 2.874 20 30 CFEDMN CCN(Cc1cccc(C(=O)OC)c1C#N)C(C)C ZINC000535978287 394550462 /nfs/dbraw/zinc/55/04/62/394550462.db2.gz LFBWEWKWTYKQPH-UHFFFAOYSA-N 0 1 260.337 2.575 20 30 CFEDMN CC[C@H]1C[C@H](C)CN1Cc1cccc(C(=O)OC)c1C#N ZINC000535963233 394550527 /nfs/dbraw/zinc/55/05/27/394550527.db2.gz LKGGLYSOIGKMOW-JSGCOSHPSA-N 0 1 286.375 2.965 20 30 CFEDMN CCC#C[C@H](C)N1CC[C@H](n2cc(Cl)cn2)C1 ZINC000685613406 542933945 /nfs/dbraw/zinc/93/39/45/542933945.db2.gz DYPSWTMNTSHTMF-AAEUAGOBSA-N 0 1 251.761 2.585 20 30 CFEDMN CC[C@H]1[C@@H](C)CCN1Cc1cccc(C(=O)OC)c1C#N ZINC000547847338 394896261 /nfs/dbraw/zinc/89/62/61/394896261.db2.gz GOAPQTLVJHUKCQ-LRDDRELGSA-N 0 1 286.375 2.965 20 30 CFEDMN Cc1[nH]nc2cc(NC(=O)c3ncc(C#N)cc3C)ccc12 ZINC000556701154 395009551 /nfs/dbraw/zinc/00/95/51/395009551.db2.gz MQCRZVPFXHLAHP-UHFFFAOYSA-N 0 1 291.314 2.699 20 30 CFEDMN C[C@@H](NC(=O)c1ccc2cncn2c1)c1cccc(C#N)c1 ZINC000585699749 395101386 /nfs/dbraw/zinc/10/13/86/395101386.db2.gz JCXRDRJXVWRHNL-GFCCVEGCSA-N 0 1 290.326 2.697 20 30 CFEDMN C=CCCCCCNC(=O)N1CCN(C)[C@@H](C(C)C)C1 ZINC000578140919 395093800 /nfs/dbraw/zinc/09/38/00/395093800.db2.gz WUSGMQCIZCASRG-OAHLLOKOSA-N 0 1 281.444 2.714 20 30 CFEDMN C=C[C@@H]1OCCC[C@H]1NCc1nc2c(s1)CCCC2 ZINC000648763479 395301345 /nfs/dbraw/zinc/30/13/45/395301345.db2.gz ZXNPNPSZWMLWPY-YPMHNXCESA-N 0 1 278.421 2.845 20 30 CFEDMN Cn1ccc(C(=O)[C@@H](C#N)c2nc(C3CC3)cs2)c1 ZINC000647378220 395320376 /nfs/dbraw/zinc/32/03/76/395320376.db2.gz FTIPNJFYQZWHSI-LLVKDONJSA-N 0 1 271.345 2.849 20 30 CFEDMN Cn1ccc(C(=O)C(C#N)c2nc(C3CC3)cs2)c1 ZINC000647378220 395320381 /nfs/dbraw/zinc/32/03/81/395320381.db2.gz FTIPNJFYQZWHSI-LLVKDONJSA-N 0 1 271.345 2.849 20 30 CFEDMN OC1(C2CCN(CC#Cc3ccc(Cl)cc3)CC2)CC1 ZINC000649673641 395550071 /nfs/dbraw/zinc/55/00/71/395550071.db2.gz VWSGQXIKXXGRAB-UHFFFAOYSA-N 0 1 289.806 2.928 20 30 CFEDMN C=CCN(CC=C)C(=O)[C@@H](C)N1CCC2(CC2(F)F)CC1 ZINC000649776740 395569837 /nfs/dbraw/zinc/56/98/37/395569837.db2.gz VIOGRVLZMHCHEF-CYBMUJFWSA-N 0 1 298.377 2.697 20 30 CFEDMN O=C(Nc1nc(-c2ccccn2)n[nH]1)c1ccccc1F ZINC000047343303 397585295 /nfs/dbraw/zinc/58/52/95/397585295.db2.gz URVWYRMFRCPNFV-UHFFFAOYSA-N 0 1 283.266 2.642 20 30 CFEDMN C#CCN1CCC[C@H]1COC(=O)CC(C)(C)C(F)(F)F ZINC000491666170 397581908 /nfs/dbraw/zinc/58/19/08/397581908.db2.gz SZBLAARCNDIPAF-NSHDSACASA-N 0 1 291.313 2.606 20 30 CFEDMN CCC#C[C@H](C)N1CCN(CC(F)(F)F)C[C@@H](C)C1 ZINC000650201840 397727772 /nfs/dbraw/zinc/72/77/72/397727772.db2.gz ZPRIXVKICKQSRF-OLZOCXBDSA-N 0 1 276.346 2.604 20 30 CFEDMN COc1ccc(C#N)cc1CN1CCCO[C@H]2CCC[C@H]21 ZINC000361750201 286270730 /nfs/dbraw/zinc/27/07/30/286270730.db2.gz HMAISVZKCVPJOB-WBVHZDCISA-N 0 1 286.375 2.710 20 30 CFEDMN N#Cc1ccc(C(=O)Nc2[nH]nc3c2cccc3Cl)o1 ZINC000343213054 154143803 /nfs/dbraw/zinc/14/38/03/154143803.db2.gz URDIIUKBMJSBTB-UHFFFAOYSA-N 0 1 286.678 2.933 20 30 CFEDMN C=CC[C@H]1CCCC[C@@H]1NS(=O)(=O)c1ccccc1O ZINC000657036649 413292443 /nfs/dbraw/zinc/29/24/43/413292443.db2.gz KZTJMDUGDBFXCW-STQMWFEESA-N 0 1 295.404 2.805 20 30 CFEDMN C=CC[C@@H]1CCCC[C@@H]1NS(=O)(=O)c1ccccc1O ZINC000657036647 413293826 /nfs/dbraw/zinc/29/38/26/413293826.db2.gz KZTJMDUGDBFXCW-OLZOCXBDSA-N 0 1 295.404 2.805 20 30 CFEDMN CCN(CC)C(=O)[C@H]1CCCN1Cc1ccc(C#N)c(C)c1 ZINC000362933001 156118566 /nfs/dbraw/zinc/11/85/66/156118566.db2.gz DPGDGODOVZXGAO-QGZVFWFLSA-N 0 1 299.418 2.700 20 30 CFEDMN N#Cc1ccncc1C(=O)Nc1ccc(Cl)cc1O ZINC000362955731 156125298 /nfs/dbraw/zinc/12/52/98/156125298.db2.gz TYZRWYAZLNJNRA-UHFFFAOYSA-N 0 1 273.679 2.565 20 30 CFEDMN N#Cc1ccccc1CN1CCC(OCC2CC2)CC1 ZINC000374122098 157070893 /nfs/dbraw/zinc/07/08/93/157070893.db2.gz VOQIXKGUIBBXMW-UHFFFAOYSA-N 0 1 270.376 2.949 20 30 CFEDMN N#Cc1ccc(CN2CC[C@H](n3ncc4ccccc43)C2)o1 ZINC000374757036 157154520 /nfs/dbraw/zinc/15/45/20/157154520.db2.gz AABKAPJFNBUUJW-AWEZNQCLSA-N 0 1 292.342 2.948 20 30 CFEDMN CO[C@@H]1[C@H]2C[C@H]3CN(Cc4ccc(F)cc4C#N)[C@H]1[C@H]3C2 ZINC000375751163 157279182 /nfs/dbraw/zinc/27/91/82/157279182.db2.gz QLORHFBAWNUTOT-MUMJOVGASA-N 0 1 286.350 2.553 20 30 CFEDMN CC(=O)N1CCC[C@@H]1[C@@H]1CCCN1Cc1ccccc1C#N ZINC000375787888 157284528 /nfs/dbraw/zinc/28/45/28/157284528.db2.gz HNQWMQVKLCUXCG-ZWKOTPCHSA-N 0 1 297.402 2.534 20 30 CFEDMN N#Cc1ccc(CN2CCC[C@@]3(CCCCO3)C2)o1 ZINC000376030137 157316093 /nfs/dbraw/zinc/31/60/93/157316093.db2.gz RGFFBBICELYMKA-HNNXBMFYSA-N 0 1 260.337 2.686 20 30 CFEDMN C=C(C)CN(Cc1ccc(CO)o1)Cc1cccc(N)c1 ZINC000660537845 413377437 /nfs/dbraw/zinc/37/74/37/413377437.db2.gz LUOSVUZUTCOFKB-UHFFFAOYSA-N 0 1 286.375 2.932 20 30 CFEDMN N#Cc1ccc(CN[C@@H](CO)c2ccc(F)cc2)s1 ZINC000344394847 162033009 /nfs/dbraw/zinc/03/30/09/162033009.db2.gz UEZBSJHWJLHHBC-AWEZNQCLSA-N 0 1 276.336 2.582 20 30 CFEDMN Cc1ccsc1[C@H](CO)NCc1ccc(C#N)cc1 ZINC000344704028 162101774 /nfs/dbraw/zinc/10/17/74/162101774.db2.gz NLNSQWJXDRXZLG-AWEZNQCLSA-N 0 1 272.373 2.751 20 30 CFEDMN Cc1ccc2nc(CNCc3ccc(C#N)o3)[nH]c2c1 ZINC000344715451 162104489 /nfs/dbraw/zinc/10/44/89/162104489.db2.gz OKTMHNNOEBSHIV-UHFFFAOYSA-N 0 1 266.304 2.626 20 30 CFEDMN CN(Cc1ccc(F)c(C#N)c1)[C@@H](CO)c1ccccc1 ZINC000345035003 162166698 /nfs/dbraw/zinc/16/66/98/162166698.db2.gz KJSFVQOOLHGXCY-KRWDZBQOSA-N 0 1 284.334 2.863 20 30 CFEDMN COc1cccc2c(C(=O)Nc3cccc(C#N)c3)n[nH]c21 ZINC000345128927 162182793 /nfs/dbraw/zinc/18/27/93/162182793.db2.gz HRZKKPQXALIUQS-UHFFFAOYSA-N 0 1 292.298 2.695 20 30 CFEDMN N#Cc1ccc(CNc2cnccc2-n2cccn2)s1 ZINC000345139018 162184301 /nfs/dbraw/zinc/18/43/01/162184301.db2.gz JFCHYIQCUMUSRR-UHFFFAOYSA-N 0 1 281.344 2.813 20 30 CFEDMN C=CCCn1cc(CN[C@H](C)Cc2ccccc2F)nn1 ZINC000657326652 413450046 /nfs/dbraw/zinc/45/00/46/413450046.db2.gz PPFKCUQKDIZRCB-CYBMUJFWSA-N 0 1 288.370 2.714 20 30 CFEDMN CN(Cc1cccc(C#N)c1F)C[C@H]1CCCC[C@@H]1O ZINC000351244323 163123077 /nfs/dbraw/zinc/12/30/77/163123077.db2.gz AESQRIJKWQEGDU-HIFRSBDPSA-N 0 1 276.355 2.680 20 30 CFEDMN CC(C)CSCCCNCc1nc(C#N)cs1 ZINC000352811966 163238616 /nfs/dbraw/zinc/23/86/16/163238616.db2.gz VEKSBGSTEKQZGK-UHFFFAOYSA-N 0 1 269.439 2.884 20 30 CFEDMN N#Cc1csc(CNCCCc2nc3ccccc3[nH]2)n1 ZINC000352826806 163244085 /nfs/dbraw/zinc/24/40/85/163244085.db2.gz XEVYWTRWFLPYHS-UHFFFAOYSA-N 0 1 297.387 2.613 20 30 CFEDMN CCOc1ccccc1CCNCc1nc(C#N)cs1 ZINC000352839824 163249455 /nfs/dbraw/zinc/24/94/55/163249455.db2.gz KZCPKEOJYSWDJR-UHFFFAOYSA-N 0 1 287.388 2.746 20 30 CFEDMN CN1CC[C@H](NCc2nc(C#N)cs2)[C@H]1c1ccccc1 ZINC000352850986 163250725 /nfs/dbraw/zinc/25/07/25/163250725.db2.gz YTAOTWHJSQJZPP-GOEBONIOSA-N 0 1 298.415 2.550 20 30 CFEDMN CN1CC[C@H](NCc2nc(C#N)cs2)[C@@H]1c1ccccc1 ZINC000352850987 163251429 /nfs/dbraw/zinc/25/14/29/163251429.db2.gz YTAOTWHJSQJZPP-HOCLYGCPSA-N 0 1 298.415 2.550 20 30 CFEDMN COc1ccc(CN2CC[C@H](COC(F)F)C2)cc1C#N ZINC000353017339 163289014 /nfs/dbraw/zinc/28/90/14/163289014.db2.gz BWWABELSKVJXTF-LBPRGKRZSA-N 0 1 296.317 2.628 20 30 CFEDMN CN(C)c1cccc(CN[C@H]2CCc3ccc(C#N)cc32)n1 ZINC000353268262 163334452 /nfs/dbraw/zinc/33/44/52/163334452.db2.gz QXYVEUHGXPLENF-KRWDZBQOSA-N 0 1 292.386 2.796 20 30 CFEDMN C[C@H](NCCSCc1ccccc1C#N)c1ncc[nH]1 ZINC000353386382 163356214 /nfs/dbraw/zinc/35/62/14/163356214.db2.gz MDRGPYGOUYWNPE-LBPRGKRZSA-N 0 1 286.404 2.865 20 30 CFEDMN C[C@@H](NCC(=O)Nc1cccc(C#N)c1)c1ccccc1 ZINC000007783423 170302790 /nfs/dbraw/zinc/30/27/90/170302790.db2.gz VEZCCRDRTICMEF-CYBMUJFWSA-N 0 1 279.343 2.848 20 30 CFEDMN Cc1cc(CN[C@H](C)c2ccc(C#N)c(F)c2)n(C)n1 ZINC000284360380 196038460 /nfs/dbraw/zinc/03/84/60/196038460.db2.gz NUIZVYRMRNSTFE-LLVKDONJSA-N 0 1 272.327 2.590 20 30 CFEDMN C=CCN(C(=O)c1cccc2[nH]c(C)nc21)C1CC1 ZINC000284569065 196086415 /nfs/dbraw/zinc/08/64/15/196086415.db2.gz YWJCOGUVDULYGX-UHFFFAOYSA-N 0 1 255.321 2.662 20 30 CFEDMN C=CCN1CC[C@H](N2CCC=C(c3ccccc3)C2)C1=O ZINC000284855156 196145033 /nfs/dbraw/zinc/14/50/33/196145033.db2.gz UETOOSOALUJTSW-KRWDZBQOSA-N 0 1 282.387 2.563 20 30 CFEDMN C=C(CC)CN(C)[C@@H](c1nnc[nH]1)c1ccccc1 ZINC000660765445 413548564 /nfs/dbraw/zinc/54/85/64/413548564.db2.gz VVNVWAQNLFTMKF-CQSZACIVSA-N 0 1 256.353 2.792 20 30 CFEDMN Cc1ccc(CN(C)C[C@H](O)c2ccc(C#N)cc2)o1 ZINC000035699728 172368492 /nfs/dbraw/zinc/36/84/92/172368492.db2.gz QTUFIRVHNWFTNP-INIZCTEOSA-N 0 1 270.332 2.625 20 30 CFEDMN C=CC[C@@H]1CC[C@@H](N[C@@H]2CS(=O)(=O)c3ccccc32)C1 ZINC000651738788 413601289 /nfs/dbraw/zinc/60/12/89/413601289.db2.gz YNYVGNUVWBWLSO-UMVBOHGHSA-N 0 1 291.416 2.849 20 30 CFEDMN C=CC[C@@H]1CC[C@@H](N[C@H]2CS(=O)(=O)c3ccccc32)C1 ZINC000651738787 413604244 /nfs/dbraw/zinc/60/42/44/413604244.db2.gz YNYVGNUVWBWLSO-NFAWXSAZSA-N 0 1 291.416 2.849 20 30 CFEDMN C=CC[C@@H]1CCCC[C@@H]1NC(=O)NCC[N@H+](C)C1CC1 ZINC000660841603 413613073 /nfs/dbraw/zinc/61/30/73/413613073.db2.gz QLQNRJWCMAKFIW-HIFRSBDPSA-N 0 1 279.428 2.515 20 30 CFEDMN C=CC[C@@H]1CCCC[C@H]1NCc1nnn(C(C)(C)C)n1 ZINC000657530505 413712359 /nfs/dbraw/zinc/71/23/59/413712359.db2.gz QKFUHDVHMYFGEF-CHWSQXEVSA-N 0 1 277.416 2.653 20 30 CFEDMN N#Cc1ccc([C@@H](O)CN2CCCC[C@H]2c2cc[nH]n2)cc1 ZINC000285481173 196299313 /nfs/dbraw/zinc/29/93/13/196299313.db2.gz VVTHGKUOROAWCC-IRXDYDNUSA-N 0 1 296.374 2.542 20 30 CFEDMN C=CCCC(C)(C)NC(=O)N[C@@H]1CCCc2cn[nH]c21 ZINC000664468504 413789474 /nfs/dbraw/zinc/78/94/74/413789474.db2.gz DPBCXEYMKUIJPT-GFCCVEGCSA-N 0 1 276.384 2.831 20 30 CFEDMN C=CCOCCCNCc1csc(C2CC2)n1 ZINC000657657903 413823278 /nfs/dbraw/zinc/82/32/78/413823278.db2.gz FTZYAYKIIMPAKK-UHFFFAOYSA-N 0 1 252.383 2.703 20 30 CFEDMN C=CC[N@H+](CCc1ccc2c(c1)CCO2)[C@H](C)COC ZINC000661241778 413847093 /nfs/dbraw/zinc/84/70/93/413847093.db2.gz BHQUEROMFSBULK-CQSZACIVSA-N 0 1 275.392 2.687 20 30 CFEDMN C=CCC1(CNC(=O)N[C@H]2CCC[N@H+](C)C2)CCCC1 ZINC000652417847 413935604 /nfs/dbraw/zinc/93/56/04/413935604.db2.gz IWUWBUPLGYERIN-AWEZNQCLSA-N 0 1 279.428 2.516 20 30 CFEDMN C=CC[C@@H]1CCCN(Cc2nc(-c3ccccn3)no2)C1 ZINC000661379053 413937884 /nfs/dbraw/zinc/93/78/84/413937884.db2.gz ROBMJMDTXIATTF-CYBMUJFWSA-N 0 1 284.363 2.920 20 30 CFEDMN C=CCCCCNC(=O)N[C@H]1CCC[N@H+]2CCCC[C@@H]12 ZINC000654533710 413895099 /nfs/dbraw/zinc/89/50/99/413895099.db2.gz MRPREPWXHNIMCL-GJZGRUSLSA-N 0 1 279.428 2.659 20 30 CFEDMN C=CCC[C@H](O)CN1CC(C)(C)[C@H]1c1ccncc1 ZINC000664834827 413966466 /nfs/dbraw/zinc/96/64/66/413966466.db2.gz VYRINVPVWVXSMQ-LSDHHAIUSA-N 0 1 260.381 2.792 20 30 CFEDMN C=CCC[C@@H](O)CN1CC(C)(C)[C@@H]1c1ccncc1 ZINC000664834822 413968896 /nfs/dbraw/zinc/96/88/96/413968896.db2.gz VYRINVPVWVXSMQ-CABCVRRESA-N 0 1 260.381 2.792 20 30 CFEDMN CC(C)(C(=O)NOC1CCCC1)c1cc(F)cc(C#N)c1 ZINC000285789560 196398526 /nfs/dbraw/zinc/39/85/26/196398526.db2.gz KSFJBVIPURPJQX-UHFFFAOYSA-N 0 1 290.338 2.965 20 30 CFEDMN C[C@@H]1CN(CC#Cc2ccc(Cl)cc2)C[C@@H](C)C1O ZINC000661632291 414098777 /nfs/dbraw/zinc/09/87/77/414098777.db2.gz SJZSPGZQFYCOMZ-CHWSQXEVSA-N 0 1 277.795 2.640 20 30 CFEDMN C=CCN(CC(=O)Nc1ccccc1OC)C(C)(C)C ZINC000661756644 414193189 /nfs/dbraw/zinc/19/31/89/414193189.db2.gz UTNORRCLQGVGGH-UHFFFAOYSA-N 0 1 276.380 2.920 20 30 CFEDMN C=C[C@H](CO)N[C@H](C)C(=O)Nc1c(C)cccc1C(C)C ZINC000662165745 414440181 /nfs/dbraw/zinc/44/01/81/414440181.db2.gz NOALOAOANONNGL-ZIAGYGMSSA-N 0 1 290.407 2.582 20 30 CFEDMN C=CC[C@H]1CCCN([C@H]2CC(=O)N(c3ccccc3)C2=O)C1 ZINC000656478419 414589456 /nfs/dbraw/zinc/58/94/56/414589456.db2.gz OBBBSYZNCSQVLA-HOCLYGCPSA-N 0 1 298.386 2.607 20 30 CFEDMN C=CC[C@@H]1CCCN(C(=O)[C@H](N)c2ccc(C)cc2)C1 ZINC000662857082 414621809 /nfs/dbraw/zinc/62/18/09/414621809.db2.gz CXIKVIDAUVTGSN-GDBMZVCRSA-N 0 1 272.392 2.810 20 30 CFEDMN C=CCCCC[N@H+]1C[C@H]2CCCC[C@@]2(C(=O)[O-])C1 ZINC000659798658 414559204 /nfs/dbraw/zinc/55/92/04/414559204.db2.gz MCZZLURSXWWGCL-UKRRQHHQSA-N 0 1 251.370 2.920 20 30 CFEDMN C[C@@H](N[C@@H](C)c1ccc(C#N)cc1)c1cnn(C)c1 ZINC000044496897 175183800 /nfs/dbraw/zinc/18/38/00/175183800.db2.gz BVDNUDYFHCNJRS-NWDGAFQWSA-N 0 1 254.337 2.704 20 30 CFEDMN CC(C)CN(CC(=O)Nc1sccc1C#N)C1CC1 ZINC000044898291 175273914 /nfs/dbraw/zinc/27/39/14/175273914.db2.gz LFKBAIIOTMFREH-UHFFFAOYSA-N 0 1 277.393 2.679 20 30 CFEDMN Cn1cc(Cl)c(CNC2CCC(C)(C#N)CC2)n1 ZINC000334678000 225245536 /nfs/dbraw/zinc/24/55/36/225245536.db2.gz BZAVKJQLCFYABY-UHFFFAOYSA-N 0 1 266.776 2.636 20 30 CFEDMN N#CCCCN1CCC[C@@]2(C1)OCc1ccccc12 ZINC000334834444 225327973 /nfs/dbraw/zinc/32/79/73/225327973.db2.gz XIBFNXVCHIWRTE-INIZCTEOSA-N 0 1 256.349 2.812 20 30 CFEDMN C[C@H]1C[C@]1(C#N)C(=O)Nc1ccc2nc(C(F)F)[nH]c2c1 ZINC000336188367 228208752 /nfs/dbraw/zinc/20/87/52/228208752.db2.gz DKFAHZCAPUTNPT-JKYUHCHBSA-N 0 1 290.273 2.989 20 30 CFEDMN C[C@@H]1C[C@@H](C(C)(C)C)CCN1CC(=O)NC1(C#N)CCC1 ZINC000332487120 228160851 /nfs/dbraw/zinc/16/08/51/228160851.db2.gz QVRGOAPPUXNVCB-KGLIPLIRSA-N 0 1 291.439 2.695 20 30 CFEDMN Cn1cc(CN2CCC(C#N)CC2)c(-c2ccc(F)cc2)n1 ZINC000336225760 228217753 /nfs/dbraw/zinc/21/77/53/228217753.db2.gz DKSHGYNHKSUYLF-UHFFFAOYSA-N 0 1 298.365 2.962 20 30 CFEDMN CC(C)(C#N)C(=O)Nc1cccc2c1CN(C1CC1)C2 ZINC000367903918 260081443 /nfs/dbraw/zinc/08/14/43/260081443.db2.gz NENQOHMVYJDFHZ-UHFFFAOYSA-N 0 1 269.348 2.653 20 30 CFEDMN C=CCCCN1CCN(C(=O)c2ccc(C)cc2)CC1 ZINC000117873192 260117388 /nfs/dbraw/zinc/11/73/88/260117388.db2.gz IBPNIDSVVKLWNH-UHFFFAOYSA-N 0 1 272.392 2.719 20 30 CFEDMN C=CCCCN(CC)CC(=O)Nc1ccccc1OC ZINC000117870768 260117620 /nfs/dbraw/zinc/11/76/20/260117620.db2.gz FLNXWCDCNKRZEJ-UHFFFAOYSA-N 0 1 276.380 2.922 20 30 CFEDMN C[C@H](C(=O)N(CCC#N)c1ccccc1)N1CCCCC1 ZINC000070921204 260270744 /nfs/dbraw/zinc/27/07/44/260270744.db2.gz XQTMLBVFWIDLSQ-OAHLLOKOSA-N 0 1 285.391 2.808 20 30 CFEDMN CCN(CCC#N)C(=O)CN1CCC[C@@H]1c1ccccc1 ZINC000079942361 260309601 /nfs/dbraw/zinc/30/96/01/260309601.db2.gz WSUVXZWBAZGWSA-MRXNPFEDSA-N 0 1 285.391 2.586 20 30 CFEDMN N#CCCN(CCC(=O)Nc1ccc(F)cc1)CC1CC1 ZINC000081514905 260334247 /nfs/dbraw/zinc/33/42/47/260334247.db2.gz VLXCOQOCFKNPIG-UHFFFAOYSA-N 0 1 289.354 2.780 20 30 CFEDMN C=C(C)CN(C)[C@H](C)C(=O)NC[C@@H](C)c1ccccc1 ZINC000181276864 260578059 /nfs/dbraw/zinc/57/80/59/260578059.db2.gz SEBBDKLVHWSLDM-HUUCEWRRSA-N 0 1 274.408 2.803 20 30 CFEDMN N#CCC[C@@H](NC(=O)c1[nH]nc2c1CCC2)c1ccccc1 ZINC000153157425 261074078 /nfs/dbraw/zinc/07/40/78/261074078.db2.gz NRPWRMKZYNIYTG-CQSZACIVSA-N 0 1 294.358 2.673 20 30 CFEDMN C=C(C)CN(CC)C(=O)[C@@H](C)N1CCSC(C)(C)C1 ZINC000177520901 261359216 /nfs/dbraw/zinc/35/92/16/261359216.db2.gz UEXRTYRJZSUGAE-CYBMUJFWSA-N 0 1 284.469 2.627 20 30 CFEDMN CC#CCCCC(=O)NC[C@H](c1ccco1)N(CC)CC ZINC000185297364 262049176 /nfs/dbraw/zinc/04/91/76/262049176.db2.gz FHMPULWYDHAEHA-OAHLLOKOSA-N 0 1 290.407 2.972 20 30 CFEDMN CC(C)(C)OC(=O)NC[C@@H](NCCC#N)C1CCCCC1 ZINC000497210835 262107352 /nfs/dbraw/zinc/10/73/52/262107352.db2.gz UYUNKYONVHDMHU-CQSZACIVSA-N 0 1 295.427 2.963 20 30 CFEDMN N#CCc1ccc(NC(=O)c2c(O)cccc2F)cc1 ZINC000119151202 262152905 /nfs/dbraw/zinc/15/29/05/262152905.db2.gz WGBZYYLVXVOONI-UHFFFAOYSA-N 0 1 270.263 2.850 20 30 CFEDMN CCCn1ccnc1CCCN(C)C[C@H](C#N)CCC#N ZINC000191513584 262192605 /nfs/dbraw/zinc/19/26/05/262192605.db2.gz XLABVNQEXBUQMQ-HNNXBMFYSA-N 0 1 287.411 2.601 20 30 CFEDMN C=CC1CCN(CC(=O)N[C@@H](C)c2ccccc2)CC1 ZINC000111260475 262258687 /nfs/dbraw/zinc/25/86/87/262258687.db2.gz JXTHIEZBOCWQPY-AWEZNQCLSA-N 0 1 272.392 2.762 20 30 CFEDMN C=C(C)CN(C)CC(=O)N1CCC[C@@H]1c1ccsc1 ZINC000364942120 262265311 /nfs/dbraw/zinc/26/53/11/262265311.db2.gz HZGLEOMCHLLBAV-CQSZACIVSA-N 0 1 278.421 2.920 20 30 CFEDMN Cc1nn(C)cc1[C@H]1CCCN1CC#Cc1ccccc1 ZINC000365270366 262357188 /nfs/dbraw/zinc/35/71/88/262357188.db2.gz VXMQEIHWRHACSW-GOSISDBHSA-N 0 1 279.387 2.917 20 30 CFEDMN CC(C)[C@H](O)CN1CCC[C@H]1[C@H](C#N)c1ccccc1 ZINC000336832978 262398913 /nfs/dbraw/zinc/39/89/13/262398913.db2.gz XFKNHLLZIPFRSN-IXDOHACOSA-N 0 1 272.392 2.775 20 30 CFEDMN CCC[C@H](C)N1C[C@H](C#N)[C@]2(C1)c1ccccc1NC2=O ZINC000337316241 262445301 /nfs/dbraw/zinc/44/53/01/262445301.db2.gz KKIBMRMWKJIAOS-GDZNZVCISA-N 0 1 283.375 2.520 20 30 CFEDMN C=CCn1cccc1C(=O)Nc1ncc(C(F)(F)F)[nH]1 ZINC000337630279 262463871 /nfs/dbraw/zinc/46/38/71/262463871.db2.gz NLTFQYWULWLIKI-UHFFFAOYSA-N 0 1 284.241 2.668 20 30 CFEDMN CCC1(C)CCN(CC(=O)N[C@@](C)(C#N)C(C)C)CC1 ZINC000337701488 262466776 /nfs/dbraw/zinc/46/67/76/262466776.db2.gz WXCZACGURBACJF-INIZCTEOSA-N 0 1 279.428 2.553 20 30 CFEDMN C=C[C@@H]1OCCC[C@H]1NCc1cc(-c2ccco2)on1 ZINC000411782190 262706567 /nfs/dbraw/zinc/70/65/67/262706567.db2.gz DJHCQCYRZDZZCT-OLZOCXBDSA-N 0 1 274.320 2.758 20 30 CFEDMN N#CCCCCN1CCOC[C@@H]1C[C@@H](O)c1ccccc1 ZINC000268701517 262956358 /nfs/dbraw/zinc/95/63/58/262956358.db2.gz RJFJXXJEVRDILI-DLBZAZTESA-N 0 1 288.391 2.505 20 30 CFEDMN CC1(C#N)CCN(Cc2ccc3c(c2)CCO3)CC1 ZINC000272573579 263007080 /nfs/dbraw/zinc/00/70/80/263007080.db2.gz WQDWPMJJBNAXJB-UHFFFAOYSA-N 0 1 256.349 2.747 20 30 CFEDMN C=CCOc1cccnc1-c1nc([C@H](N)CC(C)C)no1 ZINC000414614174 263010015 /nfs/dbraw/zinc/01/00/15/263010015.db2.gz GQZXITAWIBXFNR-LLVKDONJSA-N 0 1 288.351 2.742 20 30 CFEDMN CCN(CCC#N)C(=O)c1c[nH]c2ccc(C)cc2c1=O ZINC000273188024 263013696 /nfs/dbraw/zinc/01/36/96/263013696.db2.gz HRCAIQBTKNIUPI-UHFFFAOYSA-N 0 1 283.331 2.625 20 30 CFEDMN C=C(C)[C@H](Cc1nc([C@H](N)CC(C)C)no1)OCC ZINC000414626540 263016586 /nfs/dbraw/zinc/01/65/86/263016586.db2.gz YJEUBCYGRLWAPN-NEPJUHHUSA-N 0 1 267.373 2.639 20 30 CFEDMN C=CCOc1ccccc1C[N@@H+]1CC[C@@](C)(C(=O)[O-])C1 ZINC000414648296 263021016 /nfs/dbraw/zinc/02/10/16/263021016.db2.gz AVNUDKNLAQWPMW-MRXNPFEDSA-N 0 1 275.348 2.548 20 30 CFEDMN CCCCCCCCNC(=O)NCc1cn[nH]c1C ZINC000274607546 263027718 /nfs/dbraw/zinc/02/77/18/263027718.db2.gz MROWJJXKEXCAIZ-UHFFFAOYSA-N 0 1 266.389 2.878 20 30 CFEDMN CC[C@H](C#N)S(=O)(=O)Nc1ccc(Cl)cc1F ZINC000088476813 263054203 /nfs/dbraw/zinc/05/42/03/263054203.db2.gz SRWVFAOKBXCAGN-MRVPVSSYSA-N 0 1 276.720 2.523 20 30 CFEDMN N#CCCn1cc(CNCCF)c(-c2ccccc2)n1 ZINC000280626177 263063349 /nfs/dbraw/zinc/06/33/49/263063349.db2.gz GLNNNPIKDPUMTN-UHFFFAOYSA-N 0 1 272.327 2.523 20 30 CFEDMN Cn1cc([C@H](N[C@@H]2CC[C@H](C#N)C2)c2ccc(F)cc2)cn1 ZINC000282198682 263075003 /nfs/dbraw/zinc/07/50/03/263075003.db2.gz GRUXRWQUTWWAFF-JCURWCKSSA-N 0 1 298.365 2.930 20 30 CFEDMN Cc1cc([C@@H]2CCCN(C(=O)C3(C#N)CCCC3)C2)n[nH]1 ZINC000282380375 263076311 /nfs/dbraw/zinc/07/63/11/263076311.db2.gz CVGNFAQKWHHGOO-CYBMUJFWSA-N 0 1 286.379 2.508 20 30 CFEDMN C[C@@H]1CCC[C@](C#N)(NC(=O)c2ccc3cncn3c2)C1 ZINC000284370076 263086617 /nfs/dbraw/zinc/08/66/17/263086617.db2.gz ONEMQEIYGCBSQG-WBMJQRKESA-N 0 1 282.347 2.537 20 30 CFEDMN N#CCOc1ccc(C[N@H+]2CCC[C@H]2[C@@H]2CCCO2)cc1 ZINC000284723256 263087914 /nfs/dbraw/zinc/08/79/14/263087914.db2.gz JTYNXXWYBFKUFG-IRXDYDNUSA-N 0 1 286.375 2.732 20 30 CFEDMN COc1ccncc1CN[C@H](C)c1ccc(OCC#N)cc1 ZINC000287763392 263102666 /nfs/dbraw/zinc/10/26/66/263102666.db2.gz MIIIHATXYQBFAK-CYBMUJFWSA-N 0 1 297.358 2.843 20 30 CFEDMN COc1ccc(CN[C@H](C)CF)cc1OCCCC#N ZINC000288467112 263104573 /nfs/dbraw/zinc/10/45/73/263104573.db2.gz OQSHQLFBOAHGQV-GFCCVEGCSA-N 0 1 280.343 2.825 20 30 CFEDMN N#C[C@@H]1CC[C@H](N2CCN(Cc3cccc(F)c3)CC2)C1 ZINC000292846812 263135778 /nfs/dbraw/zinc/13/57/78/263135778.db2.gz QAYGVSFBRLRDDN-PBHICJAKSA-N 0 1 287.382 2.636 20 30 CFEDMN N#C[C@H]1CC[C@@H](N2CCN(c3cccs3)CC2)C1 ZINC000292920885 263136549 /nfs/dbraw/zinc/13/65/49/263136549.db2.gz XZJOECNPWXUZQJ-QWHCGFSZSA-N 0 1 261.394 2.562 20 30 CFEDMN N#CCCCNCc1cccc(Br)c1F ZINC000295527766 263179021 /nfs/dbraw/zinc/17/90/21/263179021.db2.gz WKCBJWKHCZOSFL-UHFFFAOYSA-N 0 1 271.133 2.982 20 30 CFEDMN CC(C)[C@](C)(C#N)NC(=O)CN1CCC[C@H]1c1ccccc1 ZINC000294210519 263157978 /nfs/dbraw/zinc/15/79/78/263157978.db2.gz ITVOVSONROMBCC-WMZOPIPTSA-N 0 1 299.418 2.878 20 30 CFEDMN C[C@@H](CCC#N)Sc1nc(-c2cccnc2)n[nH]1 ZINC000298130204 263215290 /nfs/dbraw/zinc/21/52/90/263215290.db2.gz AMVSPNIQGFCPCI-VIFPVBQESA-N 0 1 259.338 2.651 20 30 CFEDMN COc1c(C)cnc(CN(C)[C@@H](C)CCC#N)c1C ZINC000298554685 263221733 /nfs/dbraw/zinc/22/17/33/263221733.db2.gz ZBUYNOHTZKKQTK-LBPRGKRZSA-N 0 1 261.369 2.831 20 30 CFEDMN CCN(CCC#N)C(=O)CN([C@@H](C)c1ccccc1)C1CC1 ZINC000299381210 263240900 /nfs/dbraw/zinc/24/09/00/263240900.db2.gz NXMVIFCZVYTGQQ-HNNXBMFYSA-N 0 1 299.418 2.974 20 30 CFEDMN C=C(C)CNC(=O)c1n[nH]c2ccc(Br)cc21 ZINC000187702537 263266294 /nfs/dbraw/zinc/26/62/94/263266294.db2.gz BYGKFFBXEQCHOE-UHFFFAOYSA-N 0 1 294.152 2.631 20 30 CFEDMN C[C@@H](O)C1CCN(CC#Cc2cccc(Cl)c2)CC1 ZINC000119624526 263276321 /nfs/dbraw/zinc/27/63/21/263276321.db2.gz QOJHMDHYDLJQFO-CYBMUJFWSA-N 0 1 277.795 2.784 20 30 CFEDMN CC[C@@H]1CCCC[C@@H]1[N@@H+](C)CC(=O)N[C@@](C)(C#N)C1CC1 ZINC000120862077 263286744 /nfs/dbraw/zinc/28/67/44/263286744.db2.gz OMIIROBDVBSXQK-KMFMINBZSA-N 0 1 291.439 2.695 20 30 CFEDMN C=CCN(C)Cc1cc(=O)oc2cc(CC)ccc12 ZINC000121627660 263297130 /nfs/dbraw/zinc/29/71/30/263297130.db2.gz SVJKCZZBWJSDPL-UHFFFAOYSA-N 0 1 257.333 2.973 20 30 CFEDMN CC#CCN(C)C(=O)[C@@H](c1ccccc1)N(CC)CC ZINC000341065216 263320562 /nfs/dbraw/zinc/32/05/62/263320562.db2.gz FMXFMYYZTXSZJY-MRXNPFEDSA-N 0 1 272.392 2.551 20 30 CFEDMN C=C(CC)CN1CCN(Cc2nc3ccccc3[nH]2)CC1 ZINC000341132541 263326108 /nfs/dbraw/zinc/32/61/08/263326108.db2.gz FXVZRRUITZPQFC-UHFFFAOYSA-N 0 1 284.407 2.647 20 30 CFEDMN C=CCN(CCn1cc(C)cn1)Cc1cccc(C#N)c1 ZINC000341833932 263353313 /nfs/dbraw/zinc/35/33/13/263353313.db2.gz ICLVUKZAQODXDH-UHFFFAOYSA-N 0 1 280.375 2.751 20 30 CFEDMN C=CCC[C@@H](NC[C@@H]1CCCCS1(=O)=O)c1ccco1 ZINC000353674025 263370834 /nfs/dbraw/zinc/37/08/34/263370834.db2.gz RASWFUMWCLDQNF-UONOGXRCSA-N 0 1 297.420 2.844 20 30 CFEDMN COCC1(C#N)CCN(Cc2cnc3ccccc3c2)CC1 ZINC000341993498 263381931 /nfs/dbraw/zinc/38/19/31/263381931.db2.gz QUUYCRULIOHSMZ-UHFFFAOYSA-N 0 1 295.386 2.987 20 30 CFEDMN CCc1nn(C)cc1C(=O)Nc1c(C)n[nH]c1C(F)F ZINC000330746417 264028527 /nfs/dbraw/zinc/02/85/27/264028527.db2.gz WLFURZWMYFTGCS-UHFFFAOYSA-N 0 1 283.282 2.588 20 30 CFEDMN Cc1nc(CCNC([O-])=[NH+]C[C@H](C)C(C)C)cs1 ZINC000330837701 264051724 /nfs/dbraw/zinc/05/17/24/264051724.db2.gz XVUDKOWRKMLKGS-JTQLQIEISA-N 0 1 269.414 2.790 20 30 CFEDMN CC(C)[NH+]=C([O-])N(C)c1ccc(OC[C@@H]2CCOC2)cc1 ZINC000330880471 264061524 /nfs/dbraw/zinc/06/15/24/264061524.db2.gz MVTVMEJESREQRL-CYBMUJFWSA-N 0 1 292.379 2.861 20 30 CFEDMN Cc1n[nH]c(C(C)C)c1C(=O)NC[C@@H]1CCSC1 ZINC000330937112 264082146 /nfs/dbraw/zinc/08/21/46/264082146.db2.gz AOXFIQOTUAJEKW-JTQLQIEISA-N 0 1 267.398 2.899 20 30 CFEDMN CC[C@H](C)C[C@H](C)[NH+]=C([O-])N1CCC[C@H](n2cncn2)C1 ZINC000330970257 264091709 /nfs/dbraw/zinc/09/17/09/264091709.db2.gz GBLUOGHBNCRGSG-IHRRRGAJSA-N 0 1 293.415 2.654 20 30 CFEDMN CC[C@]1(C)CCCN([C@H](C)C(=O)N[C@](C)(C#N)C(C)C)C1 ZINC000330925289 264094608 /nfs/dbraw/zinc/09/46/08/264094608.db2.gz GYMNLLLXBYOBST-DJIMGWMZSA-N 0 1 293.455 2.941 20 30 CFEDMN CCCCN1CCCC[C@@H]1CNC(=O)c1snnc1C ZINC000331005355 264105926 /nfs/dbraw/zinc/10/59/26/264105926.db2.gz ZICHOERGEVBNQI-GFCCVEGCSA-N 0 1 296.440 2.806 20 30 CFEDMN CC[C@H](C)NC([O-])=[NH+][C@H]1CCc2cnn(C(C)C)c2C1 ZINC000331066657 264112237 /nfs/dbraw/zinc/11/22/37/264112237.db2.gz GCJXCPHRDIFGDX-AAEUAGOBSA-N 0 1 278.400 2.623 20 30 CFEDMN CC[C@H](C)[NH+]=C([O-])N[C@H]1CCc2cnn(C(C)C)c2C1 ZINC000331066657 264112238 /nfs/dbraw/zinc/11/22/38/264112238.db2.gz GCJXCPHRDIFGDX-AAEUAGOBSA-N 0 1 278.400 2.623 20 30 CFEDMN CC(C)(C)c1nc(C(=O)NCc2cnc[nH]2)cs1 ZINC000331088431 264119318 /nfs/dbraw/zinc/11/93/18/264119318.db2.gz RYHJWQKDDAFPHZ-UHFFFAOYSA-N 0 1 264.354 2.669 20 30 CFEDMN CC(C)c1ccoc1C(=O)NC[C@@H]1CCCCN1CCO ZINC000331329100 264191427 /nfs/dbraw/zinc/19/14/27/264191427.db2.gz NXVWYSISXUMPAI-ZDUSSCGKSA-N 0 1 294.395 2.554 20 30 CFEDMN C=C(C)[C@H]1OCC[C@@H]1CNC(=O)c1c(C)n[nH]c1C(C)C ZINC000334087669 264230871 /nfs/dbraw/zinc/23/08/71/264230871.db2.gz RFZMMDXYCFWHJJ-IUODEOHRSA-N 0 1 291.395 2.553 20 30 CFEDMN C=C(C)C(C)(C)C(=O)NC[C@H](c1nc[nH]n1)c1ccccc1 ZINC000424868433 264256358 /nfs/dbraw/zinc/25/63/58/264256358.db2.gz SVSLNODPDCWVFY-AWEZNQCLSA-N 0 1 298.390 2.655 20 30 CFEDMN C=CC1(CC(=O)N[C@H]2CCc3nc[nH]c3C2)CCCCC1 ZINC000934988305 649862416 /nfs/dbraw/zinc/86/24/16/649862416.db2.gz BMDOCVNLNPAIBL-ZDUSSCGKSA-N 0 1 287.407 2.910 20 30 CFEDMN C=CCOc1ccccc1C(=O)N[C@H](C)Cc1cc(C)[nH]n1 ZINC000161639274 264291260 /nfs/dbraw/zinc/29/12/60/264291260.db2.gz LAQXZKGCQOMLAU-GFCCVEGCSA-N 0 1 299.374 2.644 20 30 CFEDMN N#CC1(CN(Cc2ccccc2)[C@@H](CO)C2CC2)CC1 ZINC000343281653 264344183 /nfs/dbraw/zinc/34/41/83/264344183.db2.gz GODLIGLOCHKHTJ-INIZCTEOSA-N 0 1 270.376 2.563 20 30 CFEDMN C=CC[C@@H](C)N[C@@H](C)c1ncc(C(=O)OC)s1 ZINC000314645044 265174121 /nfs/dbraw/zinc/17/41/21/265174121.db2.gz ALJAGRWFGVHTNU-BDAKNGLRSA-N 0 1 254.355 2.545 20 30 CFEDMN C=CCCC1(C(=O)N2CCC(c3cnc[nH]3)CC2)CC1 ZINC000356318012 266095242 /nfs/dbraw/zinc/09/52/42/266095242.db2.gz DBCLIZDGRNCCAL-UHFFFAOYSA-N 0 1 273.380 2.862 20 30 CFEDMN C=CCN(CC=C)C(=O)C[N@H+]1CC[C@H](Cc2ccccc2)C1 ZINC000357723700 266351275 /nfs/dbraw/zinc/35/12/75/266351275.db2.gz AQTJGYNFXFNWQN-GOSISDBHSA-N 0 1 298.430 2.752 20 30 CFEDMN C=C(CC)CN1CCN(Cc2cccc(F)c2)CC1 ZINC000358493181 266468205 /nfs/dbraw/zinc/46/82/05/266468205.db2.gz AKGXXLFGIYPZKS-UHFFFAOYSA-N 0 1 262.372 2.910 20 30 CFEDMN CC#CCCNCc1cccc(Cl)c1S(=O)(=O)CC ZINC000360957836 266760532 /nfs/dbraw/zinc/76/05/32/266760532.db2.gz OAHLHKRBJKZGRP-UHFFFAOYSA-N 0 1 299.823 2.637 20 30 CFEDMN CC#CCCCC(=O)NC[C@H](c1ccsc1)N(C)C ZINC000362297840 266958239 /nfs/dbraw/zinc/95/82/39/266958239.db2.gz QLQHSSCYKHJMAU-CQSZACIVSA-N 0 1 278.421 2.661 20 30 CFEDMN C[C@@H]1CN(c2cc(C#N)ccn2)CCN1Cc1ccccc1 ZINC000396418484 267061747 /nfs/dbraw/zinc/06/17/47/267061747.db2.gz SIXCQTWRQAINGX-OAHLLOKOSA-N 0 1 292.386 2.664 20 30 CFEDMN C[C@@H]1Cc2ccccc2N1C(=O)c1ccc(C#N)c(O)c1 ZINC000188246617 267095260 /nfs/dbraw/zinc/09/52/60/267095260.db2.gz HFDLYPXTTJNXPM-LLVKDONJSA-N 0 1 278.311 2.855 20 30 CFEDMN C#C[C@H](C)NCc1cc(-c2ccncc2)ccc1OC ZINC000368037471 267140583 /nfs/dbraw/zinc/14/05/83/267140583.db2.gz NAFGRKDGPLCZFX-ZDUSSCGKSA-N 0 1 266.344 2.869 20 30 CFEDMN C#Cc1ccc(CN2CC[C@@H](n3cc(Cl)cn3)C2)cc1 ZINC000368126279 267146212 /nfs/dbraw/zinc/14/62/12/267146212.db2.gz RQWNVHPAOUNMBG-MRXNPFEDSA-N 0 1 285.778 2.965 20 30 CFEDMN C=CCCCCC[N@@H+]1CC[C@@](O)(C(F)(F)F)C1 ZINC000193373008 267301740 /nfs/dbraw/zinc/30/17/40/267301740.db2.gz IRAYNLBLDXCMAQ-NSHDSACASA-N 0 1 251.292 2.732 20 30 CFEDMN CC(C)[C@](C)(C#N)NC(=O)CN1C[C@@H]2CCCCCC[C@H]21 ZINC000370545432 267327642 /nfs/dbraw/zinc/32/76/42/267327642.db2.gz FCMVJOUZPGCQJY-UXLLHSPISA-N 0 1 291.439 2.695 20 30 CFEDMN Cc1nc([C@H]2CCCCN2CCC(C)(C)C#N)n[nH]1 ZINC000371205280 267370929 /nfs/dbraw/zinc/37/09/29/267370929.db2.gz QDMZSBUJLOUUSR-GFCCVEGCSA-N 0 1 261.373 2.580 20 30 CFEDMN C=C(C)CN(CC)[C@H](C)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000120121616 267383045 /nfs/dbraw/zinc/38/30/45/267383045.db2.gz WOLYNEWHKFTUNH-GFCCVEGCSA-N 0 1 291.351 2.820 20 30 CFEDMN Cc1nc2ccc(NC(=O)Cc3cccc(C#N)c3)cc2[nH]1 ZINC000532186681 268080906 /nfs/dbraw/zinc/08/09/06/268080906.db2.gz ZXSRSQXCDARHOZ-UHFFFAOYSA-N 0 1 290.326 2.924 20 30 CFEDMN Cc1nocc1CNC1(c2ccc(C#N)cc2)CCOCC1 ZINC000527812796 268101442 /nfs/dbraw/zinc/10/14/42/268101442.db2.gz UKOQZFQBQXGNTR-UHFFFAOYSA-N 0 1 297.358 2.650 20 30 CFEDMN N#Cc1csc(CNC[C@@H]2CCCCC2(F)F)n1 ZINC000390887257 270306222 /nfs/dbraw/zinc/30/62/22/270306222.db2.gz XOPKRTAVFMWCMM-VIFPVBQESA-N 0 1 271.336 2.930 20 30 CFEDMN COC1CC(N(C)CC#Cc2cccc(Cl)c2)C1 ZINC000352192908 274015915 /nfs/dbraw/zinc/01/59/15/274015915.db2.gz AETVWOCZUBWXHU-UHFFFAOYSA-N 0 1 263.768 2.801 20 30 CFEDMN Cc1cc(CN[C@H]2CCCc3cc(C#N)ccc32)n(C)n1 ZINC000334237158 274697679 /nfs/dbraw/zinc/69/76/79/274697679.db2.gz IJAURLBWKAOORP-KRWDZBQOSA-N 0 1 280.375 2.767 20 30 CFEDMN C=CCCCN(C)C(=O)NC[C@H](c1cccs1)N(C)C ZINC000077538394 275422744 /nfs/dbraw/zinc/42/27/44/275422744.db2.gz RFTJYAWXZPSBMQ-CYBMUJFWSA-N 0 1 295.452 2.958 20 30 CFEDMN C=CCCC(=O)N1CCNC[C@H]1c1cccc(Cl)c1 ZINC000262325701 276883040 /nfs/dbraw/zinc/88/30/40/276883040.db2.gz GBRIJJGQRPMMEI-AWEZNQCLSA-N 0 1 278.783 2.779 20 30 CFEDMN C=C[C@@H](CO)N[C@@H]1C[C@H](C)Sc2sccc21 ZINC000289647515 276914766 /nfs/dbraw/zinc/91/47/66/276914766.db2.gz GBIZHCONEWKHMS-ATZCPNFKSA-N 0 1 255.408 2.810 20 30 CFEDMN CC(C)(C)c1cn2c(n1)CC[C@H]([NH+]=C([O-])N1CCCC1)C2 ZINC000329296287 277270401 /nfs/dbraw/zinc/27/04/01/277270401.db2.gz STPDYLNIKPYUSB-LBPRGKRZSA-N 0 1 290.411 2.505 20 30 CFEDMN C[C@@H](N[C@H]1CCc2ccc(C#N)cc21)c1cnn(C)c1 ZINC000336191104 277634857 /nfs/dbraw/zinc/63/48/57/277634857.db2.gz UOSDQUPLRWUOQI-BZNIZROVSA-N 0 1 266.348 2.630 20 30 CFEDMN C[C@@H](N[C@@H](C)C(=O)N1CCC(C)CC1)c1ccc(C#N)cc1 ZINC000127533421 278361457 /nfs/dbraw/zinc/36/14/57/278361457.db2.gz YVJUKRCXYWQTEM-CABCVRRESA-N 0 1 299.418 2.856 20 30 CFEDMN Cc1nc([C@H](C)NC(=O)N[C@@H]2CC[C@@H]3CCC[C@@H]3C2)n[nH]1 ZINC000329568822 279107058 /nfs/dbraw/zinc/10/70/58/279107058.db2.gz UEGDWKCVMWDMRM-FTYKPCCVSA-N 0 1 291.399 2.647 20 30 CFEDMN CC(C)Oc1ccc(NC(=O)c2ncccc2O)cc1C#N ZINC000132554002 280732655 /nfs/dbraw/zinc/73/26/55/280732655.db2.gz YEZWITCTINBHOD-UHFFFAOYSA-N 0 1 297.314 2.698 20 30 CFEDMN COC(=O)c1cccc(CN2[C@@H](C)CC[C@@H]2C)c1C#N ZINC000535963967 281514608 /nfs/dbraw/zinc/51/46/08/281514608.db2.gz QCNSVFWAIUMMRQ-RYUDHWBXSA-N 0 1 272.348 2.718 20 30 CFEDMN C[C@@](C#N)(NC(=O)CN1CC(C)(C)CC(C)(C)C1)C1CC1 ZINC000331955386 289107265 /nfs/dbraw/zinc/10/72/65/289107265.db2.gz ZDOJGZCEKCHFPZ-KRWDZBQOSA-N 0 1 291.439 2.553 20 30 CFEDMN COC(C)(C)CN(C)Cc1cc(C#N)ccc1F ZINC000404234912 290028539 /nfs/dbraw/zinc/02/85/39/290028539.db2.gz JSMBPXGEMBACDP-UHFFFAOYSA-N 0 1 250.317 2.554 20 30 CFEDMN C=C(C)CN1CC[C@@H]1CN(C)C(=O)c1cccc(F)c1 ZINC001085463928 782065479 /nfs/dbraw/zinc/06/54/79/782065479.db2.gz QOXBGLNQPDOGJX-OAHLLOKOSA-N 0 1 276.355 2.548 20 30 CFEDMN C=C(C)CCN1CC[C@H]1CN(C)C(=O)c1cccs1 ZINC001085466728 782068419 /nfs/dbraw/zinc/06/84/19/782068419.db2.gz AFVHJGMNWPIVBB-ZDUSSCGKSA-N 0 1 278.421 2.861 20 30 CFEDMN Cc1nn(C)c(C)c1CNC1CC(C#N)(c2ccccc2)C1 ZINC000376517488 327715953 /nfs/dbraw/zinc/71/59/53/327715953.db2.gz KRYAYCVMIYYBSE-UHFFFAOYSA-N 0 1 294.402 2.751 20 30 CFEDMN C=CCN(Cc1ccccc1)C(=O)c1cnc(C)[nH]1 ZINC000339224733 328002450 /nfs/dbraw/zinc/00/24/50/328002450.db2.gz CKRHAYPPDVRQJT-UHFFFAOYSA-N 0 1 255.321 2.547 20 30 CFEDMN CN(C[C@H]1CCN(C(=O)c2ccccc2)C1)CC(C)(C)C#N ZINC000339250574 328003454 /nfs/dbraw/zinc/00/34/54/328003454.db2.gz XSDOXRMZCPYXPO-OAHLLOKOSA-N 0 1 299.418 2.630 20 30 CFEDMN CCCN(CC#N)C(=O)[C@H](CC)N(C)Cc1ccccc1 ZINC000339263105 328003929 /nfs/dbraw/zinc/00/39/29/328003929.db2.gz DUJXBFUUCALJAB-INIZCTEOSA-N 0 1 287.407 2.659 20 30 CFEDMN CC[C@@H](C(=O)Nc1ccc(Cl)cc1CC#N)N(C)C ZINC000563394691 328061729 /nfs/dbraw/zinc/06/17/29/328061729.db2.gz BRWWRXKPICOHFG-ZDUSSCGKSA-N 0 1 279.771 2.685 20 30 CFEDMN CC(C)c1nc(CNCC2(C#N)CC2)c2ccccn21 ZINC000563541462 328072416 /nfs/dbraw/zinc/07/24/16/328072416.db2.gz QTJLICIDGNUZHW-UHFFFAOYSA-N 0 1 268.364 2.851 20 30 CFEDMN CCn1cc(CN[C@H](C)c2ccc(OCC#N)cc2)cn1 ZINC000264924948 328163152 /nfs/dbraw/zinc/16/31/52/328163152.db2.gz NDZQLYQUSSNUSH-CYBMUJFWSA-N 0 1 284.363 2.656 20 30 CFEDMN C[C@@H](C#N)CN(C)C(=O)c1c(O)cc(Cl)cc1Cl ZINC000267491091 328178671 /nfs/dbraw/zinc/17/86/71/328178671.db2.gz GBBLPJKDYPIYBG-ZETCQYMHSA-N 0 1 287.146 2.931 20 30 CFEDMN C=CCOc1ccccc1C[N@@H+](C)CCCC(=O)[O-] ZINC000414641206 328206322 /nfs/dbraw/zinc/20/63/22/328206322.db2.gz SWNZEQXWYQBUEW-UHFFFAOYSA-N 0 1 263.337 2.548 20 30 CFEDMN N#CCCCN(CCc1ccccn1)Cc1cccnc1 ZINC000430298687 328217514 /nfs/dbraw/zinc/21/75/14/328217514.db2.gz DJUACOSTBJEXHV-UHFFFAOYSA-N 0 1 280.375 2.825 20 30 CFEDMN CN(Cc1cc(Cl)cn1C)[C@H]1CC[C@H](C#N)C1 ZINC000292937755 328273995 /nfs/dbraw/zinc/27/39/95/328273995.db2.gz ZREYJYWDFYTSOT-JQWIXIFHSA-N 0 1 251.761 2.803 20 30 CFEDMN N#C[C@H]1CC[C@@H](Sc2nc(-c3cccnc3)n[nH]2)C1 ZINC000295840018 328287359 /nfs/dbraw/zinc/28/73/59/328287359.db2.gz WUNUWJYERUUZKK-GXSJLCMTSA-N 0 1 271.349 2.651 20 30 CFEDMN CN(Cc1ccc(C#N)cc1)C(=O)c1c(O)cccc1F ZINC000163787473 322378620 /nfs/dbraw/zinc/37/86/20/322378620.db2.gz VJKMEGFJTZEKIH-UHFFFAOYSA-N 0 1 284.290 2.675 20 30 CFEDMN N#Cc1csc(CNCc2ccc(O)c(F)c2)c1 ZINC000177704538 323702202 /nfs/dbraw/zinc/70/22/02/323702202.db2.gz MLECUWFFUFUEAM-UHFFFAOYSA-N 0 1 262.309 2.754 20 30 CFEDMN N#Cc1ccc(C(=O)N2CCCc3ccccc32)cc1O ZINC000188205998 324010343 /nfs/dbraw/zinc/01/03/43/324010343.db2.gz KRHHLIPWALHLQS-UHFFFAOYSA-N 0 1 278.311 2.857 20 30 CFEDMN N#Cc1ccc(-c2nc(-c3ccc4[nH]cnc4c3)no2)o1 ZINC000350517471 324222183 /nfs/dbraw/zinc/22/21/83/324222183.db2.gz ZBCGUMYJIXBZEA-UHFFFAOYSA-N 0 1 277.243 2.745 20 30 CFEDMN CCC[C@@]1(CO)CC[N@@H+](Cc2cc(C#N)cs2)C1 ZINC000580602261 325049871 /nfs/dbraw/zinc/04/98/71/325049871.db2.gz CPIFIRVFNZNZNC-CQSZACIVSA-N 0 1 264.394 2.604 20 30 CFEDMN CC(C)c1nsc(NCCc2cccc(C#N)c2)n1 ZINC000580972700 325079470 /nfs/dbraw/zinc/07/94/70/325079470.db2.gz ZWNHXIVZKUWRNM-UHFFFAOYSA-N 0 1 272.377 2.610 20 30 CFEDMN Cc1ccnc([C@H]2CCN(Cc3ccc(C#N)cn3)C2)c1 ZINC000581378212 325116000 /nfs/dbraw/zinc/11/60/00/325116000.db2.gz BTUUQTPVTFRCSV-HNNXBMFYSA-N 0 1 278.359 2.646 20 30 CFEDMN Cc1cc(C[N@H+]2CCC[C@H](CC(=O)[O-])C2)ccc1C#N ZINC000582713248 325228058 /nfs/dbraw/zinc/22/80/58/325228058.db2.gz JSPYMVFKDXRINT-CYBMUJFWSA-N 0 1 272.348 2.553 20 30 CFEDMN C=C[C@@H]1OCCC[C@H]1NCc1nc(C)c(C)s1 ZINC000451673474 331038325 /nfs/dbraw/zinc/03/83/25/331038325.db2.gz KWUFCGJWCBBKFS-NEPJUHHUSA-N 0 1 252.383 2.583 20 30 CFEDMN Cc1ccc(CNC(=O)CN2CCC(CCC#N)CC2)cc1 ZINC000565949201 327093878 /nfs/dbraw/zinc/09/38/78/327093878.db2.gz MNJPVEHKLFJTAW-UHFFFAOYSA-N 0 1 299.418 2.627 20 30 CFEDMN N#C[C@H]1CC[C@@H](NCc2ccn(Cc3ccccc3)n2)C1 ZINC000560270686 327295054 /nfs/dbraw/zinc/29/50/54/327295054.db2.gz QBAVWUUQAWADAT-JKSUJKDBSA-N 0 1 280.375 2.713 20 30 CFEDMN CC[C@H](CC#N)NC[C@H](O)COc1c(C)ccc(C)c1C ZINC000566628856 327426240 /nfs/dbraw/zinc/42/62/40/327426240.db2.gz UVTNBQFSYJKTPR-CVEARBPZSA-N 0 1 290.407 2.633 20 30 CFEDMN CCN(C[C@H](C)C#N)C(=O)CN1CCC(C(C)(C)C)CC1 ZINC000172032765 327435811 /nfs/dbraw/zinc/43/58/11/327435811.db2.gz PTHAVNQRONGSBT-CQSZACIVSA-N 0 1 293.455 2.753 20 30 CFEDMN Cc1ccnc(-c2n[nH]c([C@H](C)N[C@@H]3CC[C@@H](C#N)C3)n2)c1 ZINC000569911774 327555430 /nfs/dbraw/zinc/55/54/30/327555430.db2.gz OZBDKMZIZJCCGO-YNEHKIRRSA-N 0 1 296.378 2.518 20 30 CFEDMN COCCN(CCCC#N)[C@H]1CCCc2cccnc21 ZINC000375390154 329003331 /nfs/dbraw/zinc/00/33/31/329003331.db2.gz JCGPXBHQLRPYDQ-HNNXBMFYSA-N 0 1 273.380 2.711 20 30 CFEDMN C=CCCCCNC(=O)C1(N(C)C)Cc2ccccc2C1 ZINC000375997999 329006130 /nfs/dbraw/zinc/00/61/30/329006130.db2.gz DSWZZNVDRZAFMC-UHFFFAOYSA-N 0 1 286.419 2.558 20 30 CFEDMN C=CCCC[C@H](C)NC(=O)[C@@]1(N(C)C)CCCSC1 ZINC000378450414 329050781 /nfs/dbraw/zinc/05/07/81/329050781.db2.gz IDXXYZTXRDGPPS-DZGCQCFKSA-N 0 1 284.469 2.675 20 30 CFEDMN CCCCCCCC(=O)N1CCN(C2CCOCC2)CC1 ZINC000175845956 329172001 /nfs/dbraw/zinc/17/20/01/329172001.db2.gz ABKGWKTVNCEADF-UHFFFAOYSA-N 0 1 296.455 2.670 20 30 CFEDMN C[C@]1(O)CCN(CC#Cc2ccc(C(F)(F)F)cc2)C1 ZINC000177371219 329185916 /nfs/dbraw/zinc/18/59/16/329185916.db2.gz ZFBCWNOMMMVAPM-AWEZNQCLSA-N 0 1 283.293 2.514 20 30 CFEDMN C=C(C)CN(C)CC(=O)N(C)[C@@H](C)c1ccc(F)c(F)c1 ZINC000181267654 329228697 /nfs/dbraw/zinc/22/86/97/329228697.db2.gz IDHYDEKXXHZMLT-LBPRGKRZSA-N 0 1 296.361 2.992 20 30 CFEDMN C=C(C)CN(C)[C@@H](C)C(=O)N[C@@H]1CCOc2ccccc21 ZINC000181309511 329230805 /nfs/dbraw/zinc/23/08/05/329230805.db2.gz PUSKITJCFFKNAF-DZGCQCFKSA-N 0 1 288.391 2.523 20 30 CFEDMN C=C(C)CN(C)C(=O)NC[C@@H](c1ccco1)N(CC)CC ZINC000182498926 329242674 /nfs/dbraw/zinc/24/26/74/329242674.db2.gz SGNUINKCPHGMLE-AWEZNQCLSA-N 0 1 293.411 2.880 20 30 CFEDMN N#CCCNCCc1cnc(SC2CCCC2)nc1 ZINC000583080023 329311254 /nfs/dbraw/zinc/31/12/54/329311254.db2.gz VSPVQZAOTVSQRJ-UHFFFAOYSA-N 0 1 276.409 2.557 20 30 CFEDMN CC[C@H]1[C@@H](C)CC[N@H+]1CC(=O)N(C)C1(C#N)CCCCC1 ZINC000185647687 329328347 /nfs/dbraw/zinc/32/83/47/329328347.db2.gz QKLFWOJYIJNPSF-GJZGRUSLSA-N 0 1 291.439 2.792 20 30 CFEDMN CC#CCCCC(=O)N[C@H](c1n[nH]c(C)n1)c1ccccc1 ZINC000186153539 329338612 /nfs/dbraw/zinc/33/86/12/329338612.db2.gz WRZKLCIZQHOQGB-INIZCTEOSA-N 0 1 296.374 2.512 20 30 CFEDMN C[C@H](C(=O)NC1(C#N)CCCCC1)N1CCCC2(CC2)C1 ZINC000186971260 329352453 /nfs/dbraw/zinc/35/24/53/329352453.db2.gz HOASHPIGUFQNGT-CQSZACIVSA-N 0 1 289.423 2.594 20 30 CFEDMN N#CCC1CCN(Cc2ccccc2[N+](=O)[O-])CC1 ZINC000397402642 329353388 /nfs/dbraw/zinc/35/33/88/329353388.db2.gz UURIJVVEBSUGSV-UHFFFAOYSA-N 0 1 259.309 2.720 20 30 CFEDMN C=CCC[C@H](C(=O)N(C)Cc1nnc[nH]1)c1ccccc1 ZINC000189755118 329385663 /nfs/dbraw/zinc/38/56/63/329385663.db2.gz FNJIPJOWPMZANV-AWEZNQCLSA-N 0 1 284.363 2.513 20 30 CFEDMN N#CCCC1CCN(CCOCC(F)(F)F)CC1 ZINC000399338693 329451071 /nfs/dbraw/zinc/45/10/71/329451071.db2.gz UCXSWTBCZGICHF-UHFFFAOYSA-N 0 1 264.291 2.581 20 30 CFEDMN C=CCCCCCNC(=O)N1CCNC[C@H]1CCC ZINC000521460774 329611101 /nfs/dbraw/zinc/61/11/01/329611101.db2.gz MBDSKWJSKMLTJG-CQSZACIVSA-N 0 1 267.417 2.516 20 30 CFEDMN COc1cccc(OC)c1CNCC(C)(C)CC#N ZINC000419790367 329745341 /nfs/dbraw/zinc/74/53/41/329745341.db2.gz VBKMXYAMYIVOEB-UHFFFAOYSA-N 0 1 262.353 2.733 20 30 CFEDMN C=CCOc1ccc(C[N@@H+]2CCC[C@H]2C(=O)[O-])cc1Cl ZINC000263388794 330053552 /nfs/dbraw/zinc/05/35/52/330053552.db2.gz DSNTWCXAVVWTFI-ZDUSSCGKSA-N 0 1 295.766 2.954 20 30 CFEDMN C=CCCOCCN[C@H](C)c1ccncc1Cl ZINC000421830244 330084614 /nfs/dbraw/zinc/08/46/14/330084614.db2.gz BGFWUSMWHOZZBR-LLVKDONJSA-N 0 1 254.761 2.978 20 30 CFEDMN C#CCn1ccc(CN(CC)Cc2cc(C)c(C)cc2O)n1 ZINC000278778900 330118255 /nfs/dbraw/zinc/11/82/55/330118255.db2.gz OBSNDMVYPHIKTC-UHFFFAOYSA-N 0 1 297.402 2.861 20 30 CFEDMN C=C[C@@H]1CCCCN1C(=O)c1cc(-c2ccn(C)c2)[nH]n1 ZINC000580463476 330142826 /nfs/dbraw/zinc/14/28/26/330142826.db2.gz PFTWLJZIEUDACP-CYBMUJFWSA-N 0 1 284.363 2.596 20 30 CFEDMN C=CCOc1ccccc1C[N@@H+]1C[C@H](C(=O)[O-])C[C@H](C)C1 ZINC000422632063 330150522 /nfs/dbraw/zinc/15/05/22/330150522.db2.gz GAEPTYPCRDZWMC-DZGCQCFKSA-N 0 1 289.375 2.794 20 30 CFEDMN CCN(CC)C(=O)[C@H](N[C@@H]1CC[C@H](C#N)C1)c1ccccc1 ZINC000424119676 330247371 /nfs/dbraw/zinc/24/73/71/330247371.db2.gz GBRZGVPZAMYTEG-USXIJHARSA-N 0 1 299.418 2.878 20 30 CFEDMN CCC(C#N)(CC)c1nc(-c2ccn3cncc3c2)no1 ZINC000528186180 330312169 /nfs/dbraw/zinc/31/21/69/330312169.db2.gz IXODBEXTNFSAOP-UHFFFAOYSA-N 0 1 281.319 2.966 20 30 CFEDMN N#C[C@H]1CC[C@@H](NCc2ccc([N+](=O)[O-])cc2F)C1 ZINC000424188355 330322103 /nfs/dbraw/zinc/32/21/03/330322103.db2.gz BXYHWYHKBHHVEI-GXSJLCMTSA-N 0 1 263.272 2.516 20 30 CFEDMN CC[C@H](C#N)S(=O)(=O)Nc1ccc(Cl)c(F)c1 ZINC000088476768 330376621 /nfs/dbraw/zinc/37/66/21/330376621.db2.gz PXKCDSXLUVBURB-MRVPVSSYSA-N 0 1 276.720 2.523 20 30 CFEDMN CC[C@@H](C#N)S(=O)(=O)Nc1ccc(Cl)c(F)c1 ZINC000088476767 330376680 /nfs/dbraw/zinc/37/66/80/330376680.db2.gz PXKCDSXLUVBURB-QMMMGPOBSA-N 0 1 276.720 2.523 20 30 CFEDMN C=CCN(C)[C@@H](C)C(=O)N(CC)C1CCCCC1 ZINC000121176937 330397019 /nfs/dbraw/zinc/39/70/19/330397019.db2.gz OINVPNWTSPFLKR-ZDUSSCGKSA-N 0 1 252.402 2.674 20 30 CFEDMN C=CCN(C)[C@H](C)C(=O)N1CCC[C@H]1c1cccs1 ZINC000121152322 330397988 /nfs/dbraw/zinc/39/79/88/330397988.db2.gz GNDRYEKXOFRJJP-OLZOCXBDSA-N 0 1 278.421 2.918 20 30 CFEDMN C=C[C@@H]1OCCC[C@H]1NCc1ncc(Cl)s1 ZINC000449546696 330935304 /nfs/dbraw/zinc/93/53/04/330935304.db2.gz DHWSAZAZBFXSSE-BDAKNGLRSA-N 0 1 258.774 2.620 20 30 CFEDMN C=CCC[C@@H](CO)NCc1ncc(C(F)(F)F)s1 ZINC000449700268 330944762 /nfs/dbraw/zinc/94/47/62/330944762.db2.gz STZSJGFNGCDMCF-QMMMGPOBSA-N 0 1 280.315 2.579 20 30 CFEDMN C=CCC[C@H](CO)Nc1cc(C)nc2ccc(F)cc21 ZINC000450896932 331005688 /nfs/dbraw/zinc/00/56/88/331005688.db2.gz OOKWRPLUTBEIEY-CYBMUJFWSA-N 0 1 274.339 2.843 20 30 CFEDMN C=C[C@@H]1OCC[C@H]1NCc1ccc(Cl)cc1[N+](=O)[O-] ZINC000451609873 331036758 /nfs/dbraw/zinc/03/67/58/331036758.db2.gz WQUSHPRYZQLHLR-YPMHNXCESA-N 0 1 282.727 2.681 20 30 CFEDMN C=C(CC)CN[C@H](c1c[nH]nn1)c1ccc(F)cc1 ZINC000453363342 331122802 /nfs/dbraw/zinc/12/28/02/331122802.db2.gz OCMXUMBIDFVEEA-AWEZNQCLSA-N 0 1 260.316 2.589 20 30 CFEDMN C=C(CC)CNC(=O)NCc1ccc(F)c(CN(C)C)c1 ZINC000454515864 331147772 /nfs/dbraw/zinc/14/77/72/331147772.db2.gz PEMQZUSQBSDRPY-UHFFFAOYSA-N 0 1 293.386 2.653 20 30 CFEDMN C=CCCOCCCCC(=O)N1CCN(CC)C[C@@H]1CC ZINC000456373414 331191657 /nfs/dbraw/zinc/19/16/57/331191657.db2.gz IMEXSSMRFWSRLJ-INIZCTEOSA-N 0 1 296.455 2.692 20 30 CFEDMN C=CCC(C)(C)C(=O)NC[C@H](c1nc[nH]n1)c1ccccc1 ZINC000456689210 331198850 /nfs/dbraw/zinc/19/88/50/331198850.db2.gz JXLJMYPOXRTKNQ-AWEZNQCLSA-N 0 1 298.390 2.655 20 30 CFEDMN C[C@@H]1CC[C@H](C)N1CC(=O)Nc1cccc(CC#N)c1 ZINC000456738905 331199653 /nfs/dbraw/zinc/19/96/53/331199653.db2.gz VHPJZTRQLLDNNH-BETUJISGSA-N 0 1 271.364 2.564 20 30 CFEDMN C=C(CC)CNC(=O)NC[C@H](c1cccc(F)c1)N(C)C ZINC000457465198 331223826 /nfs/dbraw/zinc/22/38/26/331223826.db2.gz CIRDSCHKFVIMSJ-OAHLLOKOSA-N 0 1 293.386 2.694 20 30 CFEDMN C=CCN(Cc1cnnn1CC)CC1CCCCC1 ZINC000459351920 331277428 /nfs/dbraw/zinc/27/74/28/331277428.db2.gz UZTHWFWSUCETQD-UHFFFAOYSA-N 0 1 262.401 2.866 20 30 CFEDMN CCOc1ccccc1OCCN[C@H]1CCC[C@H]1C#N ZINC000459468121 331283119 /nfs/dbraw/zinc/28/31/19/331283119.db2.gz QURMIOKYZDXZHJ-KBPBESRZSA-N 0 1 274.364 2.746 20 30 CFEDMN C=CCN1CC[C@H](N(C)Cc2ccc(C3CC3)cc2)C1=O ZINC000459525252 331286070 /nfs/dbraw/zinc/28/60/70/331286070.db2.gz HBSGAMDQWSTWMA-KRWDZBQOSA-N 0 1 284.403 2.783 20 30 CFEDMN C=CCOc1ccccc1CN1CC2(C1)CCOCC2 ZINC000459619439 331290725 /nfs/dbraw/zinc/29/07/25/331290725.db2.gz MHKKHGVLQBHISP-UHFFFAOYSA-N 0 1 273.376 2.864 20 30 CFEDMN CC#CCCN1CCN(Cc2cccc(Cl)c2)CC1 ZINC000462322846 331319613 /nfs/dbraw/zinc/31/96/13/331319613.db2.gz QXPXONQEFOJTAX-UHFFFAOYSA-N 0 1 276.811 2.871 20 30 CFEDMN CCc1ccc([C@@H](CO)NCC#Cc2ccccc2)cc1 ZINC000483710464 331881903 /nfs/dbraw/zinc/88/19/03/331881903.db2.gz LZOGCWITIPQHBE-LJQANCHMSA-N 0 1 279.383 2.924 20 30 CFEDMN C=CCC1(C(=O)N2CCN(C)[C@H](C(C)C)C2)CCC1 ZINC000489342315 332047912 /nfs/dbraw/zinc/04/79/12/332047912.db2.gz WUQLPGFUOFJGNT-AWEZNQCLSA-N 0 1 264.413 2.531 20 30 CFEDMN C=C[C@H]1CCCCN1CC(=O)NCc1cccc(C)c1 ZINC000489394420 332049973 /nfs/dbraw/zinc/04/99/73/332049973.db2.gz BSBFABJJMNVKME-INIZCTEOSA-N 0 1 272.392 2.652 20 30 CFEDMN C=C[C@H]1CCCCN1CC(=O)N1C[C@H](C)C[C@H](C)C1 ZINC000489432565 332051830 /nfs/dbraw/zinc/05/18/30/332051830.db2.gz GHJPMSLYTSWZSB-ZNMIVQPWSA-N 0 1 264.413 2.531 20 30 CFEDMN C#CCN1CCC(C(=O)N(CC)CC(CC)CC)CC1 ZINC000490555697 332091487 /nfs/dbraw/zinc/09/14/87/332091487.db2.gz IWAQXLDWFRSMBQ-UHFFFAOYSA-N 0 1 278.440 2.616 20 30 CFEDMN C#CCN1CCC(C(=O)N(C)Cc2ccc(CC)cc2)CC1 ZINC000490574321 332092602 /nfs/dbraw/zinc/09/26/02/332092602.db2.gz OZLMTRAVFKWUMT-UHFFFAOYSA-N 0 1 298.430 2.553 20 30 CFEDMN C#CCN1CCC(C(=O)N2CCC[C@@H](C(C)(C)C)C2)CC1 ZINC000490720409 332108880 /nfs/dbraw/zinc/10/88/80/332108880.db2.gz RFWOIQFNHSHJKT-MRXNPFEDSA-N 0 1 290.451 2.616 20 30 CFEDMN C#CCN(Cc1ccccc1)C(=O)c1ccc2cncn2c1 ZINC000491181194 332161591 /nfs/dbraw/zinc/16/15/91/332161591.db2.gz QUMZXNDXYYFWJM-UHFFFAOYSA-N 0 1 289.338 2.610 20 30 CFEDMN C#CCN1CCC(C(=O)N2CC[C@@H](CC(C)(C)C)C2)CC1 ZINC000491256063 332175699 /nfs/dbraw/zinc/17/56/99/332175699.db2.gz ZKVKMADEDGKSNX-HNNXBMFYSA-N 0 1 290.451 2.616 20 30 CFEDMN C#C[C@@H](C)N(C)Cc1c[nH]nc1-c1ccccc1F ZINC000491376034 332200440 /nfs/dbraw/zinc/20/04/40/332200440.db2.gz YINIOGVCJUZCBE-LLVKDONJSA-N 0 1 257.312 2.669 20 30 CFEDMN C#CCN(Cc1cn(C)nc1-c1ccc(F)cc1)C1CC1 ZINC000491486765 332221127 /nfs/dbraw/zinc/22/11/27/332221127.db2.gz YBYRFPTWRROBCG-UHFFFAOYSA-N 0 1 283.350 2.824 20 30 CFEDMN C#C[C@H](NCc1cc(C(F)(F)F)n[nH]1)C(C)(C)C ZINC000491624487 332248248 /nfs/dbraw/zinc/24/82/48/332248248.db2.gz QQCIBOTUVLWEMT-VIFPVBQESA-N 0 1 259.275 2.566 20 30 CFEDMN C#C[C@@H](C)N(C)Cc1cn(C)nc1-c1cccs1 ZINC000491659350 332269704 /nfs/dbraw/zinc/26/97/04/332269704.db2.gz MEEIEKQIEAOJSB-LLVKDONJSA-N 0 1 259.378 2.602 20 30 CFEDMN C#C[C@H](CC)NCc1cnn(Cc2ccc(F)cc2)c1 ZINC000491669896 332277300 /nfs/dbraw/zinc/27/73/00/332277300.db2.gz OEWDSRAUSWGXSN-MRXNPFEDSA-N 0 1 271.339 2.572 20 30 CFEDMN N#CCc1ccc(CN2CCO[C@H]3CCC[C@@H]32)cc1 ZINC000335990164 335099230 /nfs/dbraw/zinc/09/92/30/335099230.db2.gz NAHRHRCWGULYTH-HOTGVXAUSA-N 0 1 256.349 2.506 20 30 CFEDMN C#CCN(C)Cc1ccc(OCc2ccncc2)cc1 ZINC000491765612 332334187 /nfs/dbraw/zinc/33/41/87/332334187.db2.gz BZKCQNCZJDCSMI-UHFFFAOYSA-N 0 1 266.344 2.726 20 30 CFEDMN C#C[C@@H](NC(=O)CN(CC)C1CC1)c1ccc(Cl)cc1 ZINC000491776682 332342187 /nfs/dbraw/zinc/34/21/87/332342187.db2.gz ZTEFIZLKYBLJDT-OAHLLOKOSA-N 0 1 290.794 2.615 20 30 CFEDMN C#C[C@@H](NC(=O)NCc1nc2ccc(C)cc2[nH]1)C(C)(C)C ZINC000491787832 332350104 /nfs/dbraw/zinc/35/01/04/332350104.db2.gz WXQREYQMZQKTIP-CQSZACIVSA-N 0 1 298.390 2.718 20 30 CFEDMN N#CCC1CCN(Cc2ccc(C#N)c(F)c2)CC1 ZINC000336425442 335106108 /nfs/dbraw/zinc/10/61/08/335106108.db2.gz WOLJOCCJDKBYKF-UHFFFAOYSA-N 0 1 257.312 2.823 20 30 CFEDMN C=CCOc1ccccc1C[N@@H+]1CCC[C@H](CC(=O)[O-])C1 ZINC000516632091 333042087 /nfs/dbraw/zinc/04/20/87/333042087.db2.gz ZSRIKTXNGSPLFZ-CQSZACIVSA-N 0 1 289.375 2.938 20 30 CFEDMN N#CCCCC[N@@H+]1CCc2ccc([N+](=O)[O-])cc2C1 ZINC000088605748 333090371 /nfs/dbraw/zinc/09/03/71/333090371.db2.gz AUZCYSRUGDAUMK-UHFFFAOYSA-N 0 1 259.309 2.647 20 30 CFEDMN N#CCCCCN1CCc2ccc([N+](=O)[O-])cc2C1 ZINC000088605748 333090372 /nfs/dbraw/zinc/09/03/72/333090372.db2.gz AUZCYSRUGDAUMK-UHFFFAOYSA-N 0 1 259.309 2.647 20 30 CFEDMN C=C[C@](C)(CC)C(=O)N1CCN(C2CCCC2)CC1 ZINC000190106926 333203197 /nfs/dbraw/zinc/20/31/97/333203197.db2.gz DEBPSYIQTVQAEB-MRXNPFEDSA-N 0 1 264.413 2.676 20 30 CFEDMN CC(C)n1cc(C(=O)C(C#N)c2nc3ccccc3[nH]2)cn1 ZINC000191436478 333219660 /nfs/dbraw/zinc/21/96/60/333219660.db2.gz NAYTZLWZPSKREU-GFCCVEGCSA-N 0 1 293.330 2.830 20 30 CFEDMN Cc1ccc(C(=O)C(C#N)c2nc3ccccc3n2C)o1 ZINC000193380507 333249213 /nfs/dbraw/zinc/24/92/13/333249213.db2.gz MRKSZIMKEWNTBN-LLVKDONJSA-N 0 1 279.299 2.965 20 30 CFEDMN C#C[C@H](CC)NCc1c(C)nn(-c2ccccc2)c1C ZINC000229881491 333310824 /nfs/dbraw/zinc/31/08/24/333310824.db2.gz OICGCINVWQMYTO-OAHLLOKOSA-N 0 1 267.376 2.991 20 30 CFEDMN C=C(C)CN(CC)C(=O)CN(C)[C@@H]1C[C@H](OCC)C1(C)C ZINC000524621190 333369169 /nfs/dbraw/zinc/36/91/69/333369169.db2.gz YGSFFIYMMJFXTK-CABCVRRESA-N 0 1 296.455 2.546 20 30 CFEDMN COc1cc(F)c(CNCC(C)(C)CC#N)cc1OC ZINC000575993611 335139544 /nfs/dbraw/zinc/13/95/44/335139544.db2.gz GWGJAGPAWWLOJG-UHFFFAOYSA-N 0 1 280.343 2.872 20 30 CFEDMN C[C@@H](CCC(=O)NC1(C#N)CCN(C)CC1)c1ccccc1 ZINC000540104938 333709716 /nfs/dbraw/zinc/70/97/16/333709716.db2.gz VRXKXNLXUIGXMH-HNNXBMFYSA-N 0 1 299.418 2.674 20 30 CFEDMN C=CCN(Cc1cccs1)C(=O)[C@H](C)[N@@H+](C)CC1CC1 ZINC000077194728 334098162 /nfs/dbraw/zinc/09/81/62/334098162.db2.gz WTGFUQXQAWARCV-ZDUSSCGKSA-N 0 1 292.448 2.993 20 30 CFEDMN CCN(CCC(=O)N(C)c1ccccc1)C[C@@H](C)C#N ZINC000135017462 334112287 /nfs/dbraw/zinc/11/22/87/334112287.db2.gz JCLSZZVBIUEMRC-AWEZNQCLSA-N 0 1 273.380 2.521 20 30 CFEDMN C=C(C)CNC(=O)NC[C@H](c1ccc(Cl)cc1)N(C)C ZINC000548610566 334163781 /nfs/dbraw/zinc/16/37/81/334163781.db2.gz UCMRCJXRRUJMCT-CQSZACIVSA-N 0 1 295.814 2.818 20 30 CFEDMN C=C(C)CN(CC)CC(=O)N[C@@H]1CCC[C@@H](C)[C@H]1C ZINC000248257355 334297670 /nfs/dbraw/zinc/29/76/70/334297670.db2.gz VCPPOJCPNGOPCJ-RBSFLKMASA-N 0 1 266.429 2.825 20 30 CFEDMN C[C@@H](O)[C@@H]1CCCN(CC#Cc2cccc(Cl)c2)C1 ZINC000089932889 334353826 /nfs/dbraw/zinc/35/38/26/334353826.db2.gz ZVAQKRUQQCGADG-UKRRQHHQSA-N 0 1 277.795 2.784 20 30 CFEDMN CCOc1cccc(CN2CCC(CCC#N)CC2)n1 ZINC000566173207 334631548 /nfs/dbraw/zinc/63/15/48/334631548.db2.gz JKTHLYNGIKKUHU-UHFFFAOYSA-N 0 1 273.380 2.996 20 30 CFEDMN C=CC[C@@H](Cc1ccccc1)NC(=O)[C@H](C)N1CC(C)C1 ZINC000567290115 334701358 /nfs/dbraw/zinc/70/13/58/334701358.db2.gz WJHHOQGMNLDKKL-RDJZCZTQSA-N 0 1 286.419 2.630 20 30 CFEDMN CC1CCN(CC(=O)N[C@@](C)(C#N)C2CCCCC2)CC1 ZINC000577120979 335303981 /nfs/dbraw/zinc/30/39/81/335303981.db2.gz KOONVZVXLHJTSX-KRWDZBQOSA-N 0 1 291.439 2.697 20 30 CFEDMN N#C[C@H]1CC[C@@H](NC(=O)c2cccc(C(F)(F)F)c2O)C1 ZINC000578881975 335684875 /nfs/dbraw/zinc/68/48/75/335684875.db2.gz FVMLPMRDIDIBJW-DTWKUNHWSA-N 0 1 298.264 2.833 20 30 CFEDMN